smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](Cn1cccn1)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 24806240 JHPHJGKOGDTIDW-ZDUSSCGKSA-N 340.383 1.351 0 40 EDAB CCN(C(=O)Cn1ncn2nccc2c1=O)[C@@H](C)c1ccc(F)cc1 78996205 FBKPFTQZZLTFQX-LBPRGKRZSA-N 343.362 1.640 0 40 EDAB O=S(=O)(NCCn1cnnc1C1CC1)c1ccccc1Cl 79062383 FKTGLAKLDKENFF-UHFFFAOYSA-N 326.809 1.787 0 40 EDAB CNC(=O)c1ccc(CN(C)c2cc(N3CCC[C@H]3CO)ncn2)o1 106929022 PXKYFROSMQEICE-LBPRGKRZSA-N 345.403 1.027 0 40 EDAB CCN(Cc1ccccc1)C(=O)CNC(=O)NCCc1ccccn1 57178759 PQUIXSITFSSTAQ-UHFFFAOYSA-N 340.427 1.972 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6402339 SUGRNDPYSVUSPN-AWEZNQCLSA-N 338.429 1.380 0 40 EDAB CNC(=O)c1ccc(OC)c(NC(=O)COc2ccc(CC#N)cc2)c1 97337079 ARUKQSMKBGXRIP-UHFFFAOYSA-N 353.378 2.138 0 40 EDAB Cn1c(S)nnc1CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 108894677 PEISICNMVPPIGL-OCCSQVGLSA-N 332.429 1.888 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)NCCc2ccccc2)cc1 8158192 FBMARXARDPGDAC-UHFFFAOYSA-N 348.424 1.332 0 40 EDAB Nc1nc(N)c2c(n1)NC(=O)C[C@H]2C(=O)Nc1ccc(Cl)cc1 10339075 FLDKROCFLMZXEG-MRVPVSSYSA-N 332.751 1.359 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCc1cccnc1 100217037 CMZDDAVXFLQPAX-YZVOILCLSA-N 335.363 1.785 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCc1nnc2n1CCC2 44895339 PEWQNXWEOJYMTG-LBPRGKRZSA-N 343.387 1.206 0 40 EDAB O=C(c1cnccn1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 58218555 CBPWSCMRZVZUCU-UHFFFAOYSA-N 348.765 1.867 0 40 EDAB O=C(NCc1ccccc1Cn1cncn1)NC1CCC(O)CC1 44947076 SSCQFFUIHWOTPZ-UHFFFAOYSA-N 329.404 1.429 0 40 EDAB COc1ncccc1CNC(=O)NC[C@H](C(C)C)N1CCOCC1 44910187 CHIKDSSLJIMMNK-OAHLLOKOSA-N 336.436 1.246 0 40 EDAB O=C1CC[C@@H](C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CN1 58306701 CJCVPMCABRVNTA-QWHCGFSZSA-N 335.835 1.809 0 40 EDAB Cc1c(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cnn1C 57312732 ZTUDQRGDZOMVMD-FUHWJXTLSA-N 340.427 1.954 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](c2nncn2C)C1 45741665 RMPUHNGEEOCGNY-ZDUSSCGKSA-N 341.481 1.504 0 40 EDAB Cc1csc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)n1 29239572 IUKRKMHBCSYPKW-LBPRGKRZSA-N 347.375 1.649 0 40 EDAB CCN(CC)C(=O)N1CCC(C(=O)NC(C)(C)C(=O)OC)CC1 45905322 JABZGIVUEGBHSE-UHFFFAOYSA-N 327.425 1.228 0 40 EDAB C[C@H](CNC(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCOCC1 46260527 SEMDIGTZEHEPCR-CABCVRRESA-N 349.431 1.189 0 40 EDAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](O[C@H](O)CN1CCN(CCO)CC1)C2 104491780 UNIVYCDNGGXPIN-XLMAVXFVSA-N 326.481 1.146 0 40 EDAB CCn1nc(C)c2c1cnn2CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 57279854 VHOQZHCWVSVLNZ-CHWSQXEVSA-N 345.403 1.344 0 40 EDAB NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc(Cl)cn2)C1 95398842 XRMAXCFRONUBFV-GFCCVEGCSA-N 344.802 1.843 0 40 EDAB C[C@H]1COCCN1C(=O)NCCS(=O)(=O)Cc1ccccc1 47070866 CNSQSPVZPWPPTO-ZDUSSCGKSA-N 326.418 1.032 0 40 EDAB CS(=O)(=O)N(CCCC(=O)NC1CC1)c1ccc(F)c(F)c1 113965345 ONMLPJNHAIZWJI-UHFFFAOYSA-N 332.372 1.790 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)COc1ccc2c(c1)CCC(=O)N2 48286955 ZABLTEWLMKUNGY-ZDUSSCGKSA-N 332.400 1.835 0 40 EDAB CC1CCN(CCNC(=O)c2cccnc2N2CCOCC2)CC1 48230855 CZPDWQDJZYJFHF-UHFFFAOYSA-N 332.448 1.380 0 40 EDAB Cn1c(SCC(=O)N2CCCC2=O)nnc1-c1ccccc1F 3417288 MYQSQULKUGPDRA-UHFFFAOYSA-N 334.376 1.862 0 40 EDAB CN(C)c1nc(N)nc(CCNC(=O)c2ccc3ccccc3n2)n1 12974336 CNJMKCKCNAVYRX-UHFFFAOYSA-N 337.387 1.041 0 40 EDAB O=C(O)c1ccc(-n2ncc(N3CCC(O)CC3)c(Cl)c2=O)cc1 13037230 MPUCSHBZWGGBLL-UHFFFAOYSA-N 349.774 1.545 0 40 EDAB NC(=O)CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)C1CCCC1 65493123 WBVCTUJNPPYOSW-UHFFFAOYSA-N 345.321 1.124 0 40 EDAB O=C(CNc1nc(Cl)nc2[nH]cnc12)NCCc1ccc(O)cc1 9420912 HTFUVXVPOWMDFX-UHFFFAOYSA-N 346.778 1.483 0 40 EDAB CCn1cc(S(=O)(=O)NC[C@]2(O)CCCc3ccccc32)cn1 95433031 ZJZGCAPDLUBQNQ-MRXNPFEDSA-N 335.429 1.405 0 40 EDAB Cc1ccc(N2C(=O)N(CC(=O)NC[C@@H]3CCCO3)C(=O)[C@@H]2C)cc1 6582475 XLGQCGYCSVMOON-ZFWWWQNUSA-N 345.399 1.447 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)cn1 71799499 GYZUJPCUJHIJKQ-UHFFFAOYSA-N 340.383 1.012 0 40 EDAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ncn2)cc1 66200416 BOUJELFGMOYLPN-UHFFFAOYSA-N 336.373 1.635 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N1CCCCC1 5681454 FPZMEPVYCRHXLY-QGZVFWFLSA-N 347.440 1.844 0 40 EDAB COC(CNC(=O)c1sccc1NC(=O)c1cnccn1)OC 67335656 RQLISUNSLJCVCE-UHFFFAOYSA-N 336.373 1.139 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)CC2)N1 71818689 UBFDANTXORHDNE-UWVGGRQHSA-N 347.337 1.556 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCCC[C@H]2Cn2cccn2)cs1 71865255 KFWCIQCMCQETLZ-LBPRGKRZSA-N 333.417 1.993 0 40 EDAB O=C(Cc1ccccc1F)N1CCN(Cc2nc(C3CC3)no2)CC1 71833215 FJUPRSNHFWQKSS-UHFFFAOYSA-N 344.390 1.973 0 40 EDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(F)cc1N 7374695 HSFCCQBAUMXJOX-UHFFFAOYSA-N 346.314 1.990 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 71863824 AHATWTWPKHRISO-UHFFFAOYSA-N 344.463 1.720 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)c1ccc(-n3cccn3)nc1)C2 71860203 NISRGUQCFKDVDS-UHFFFAOYSA-N 349.398 1.322 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 27790777 YFVCNOUJRMZBJC-ATNYBXOESA-N 327.336 1.371 0 40 EDAB CCN1C(=O)N[C@](C)([C@@H]2CCCN(CCc3ccncc3)C2)C1=O 95402632 XSBOCHPPNILASM-CRAIPNDOSA-N 330.432 1.667 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCCO1 7768604 FFWNKQZNFVWSMY-HNNXBMFYSA-N 338.429 1.979 0 40 EDAB CNC(=O)c1cccc(NC(=O)N[C@H](C)C(=O)NCc2ccco2)c1 68528501 FBFLDEILQBBQHA-LLVKDONJSA-N 344.371 1.466 0 40 EDAB NC(=O)CSc1ccccc1NC(=O)N1CCCN2CCC[C@@H]2C1 71920196 XSPKEXVXKHYBEL-CYBMUJFWSA-N 348.472 1.966 0 40 EDAB Cc1ccc(-c2ocnc2C(=O)N[C@@H]2CCCN(CC(N)=O)C2)cc1 95401894 SUSYOCAGUJNCQG-CQSZACIVSA-N 342.399 1.330 0 40 EDAB CC[C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@H]1N1CCOCC1 84735964 KMQCECISOPQREI-HZPDHXFCSA-N 334.464 1.703 0 40 EDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccc1F)C2=O 8273605 VTNXLXWCRVTWDK-UHFFFAOYSA-N 347.390 1.943 0 40 EDAB O=C([C@H]1CSCN1S(=O)(=O)c1ccccc1F)N1CCCC1 69329422 ZKYBYYUXFCMILW-GFCCVEGCSA-N 344.433 1.512 0 40 EDAB C[C@H](Cn1cccn1)NCC(=O)N(C)C[C@@H]1COc2ccccc2O1 69415987 OCQNRYNZVHLTFT-HUUCEWRRSA-N 344.415 1.160 0 40 EDAB O=C(c1cccnc1N1CCOCC1)N1CCC[C@@H](n2cccn2)C1 69417941 HFVWAHAPQVVKKZ-OAHLLOKOSA-N 341.415 1.592 0 40 EDAB COC(=O)CCNC(=O)c1cc(Br)c2c(c1)OCCO2 69453903 YNPOFLAVSFBQCF-UHFFFAOYSA-N 344.161 1.513 0 40 EDAB COc1ccc2nc(CCN3C(=O)c4ccccc4C3=O)[nH]c(=O)c2c1 69579332 NLRWBVIYFXFRDK-UHFFFAOYSA-N 349.346 1.770 0 40 EDAB C[C@@H](O)CN1CCC(CN(C)[C@H](C(N)=O)c2ccc(F)cc2)CC1 69663499 SJTJMNBAVBNOJR-DYVFJYSZSA-N 337.439 1.377 0 40 EDAB CC(=O)N[C@@](C)(C(=O)N1CCC[C@H](n2nc(C)cc2C)C1)C1CC1 72235769 PLYYOAJUPHBNCJ-FUHWJXTLSA-N 332.448 1.968 0 40 EDAB CNC(=O)c1cccc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)n1 91957054 RGBZRMMEZQGEGP-JTQLQIEISA-N 344.337 1.654 0 40 EDAB COc1ccc(CCN2CCN(c3ccc4nncn4n3)CC2)cc1 69869946 GJCARTNCGLBTAL-UHFFFAOYSA-N 338.415 1.498 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H]1CCOC1=O 18243201 LAQCOWVVDQZLSV-OLZOCXBDSA-N 339.775 1.953 0 40 EDAB NC(=O)OCCNC(=O)Cc1ccccc1I 97085121 FBMNZVQVXRBELN-UHFFFAOYSA-N 348.140 1.045 0 40 EDAB O=C(NCC(=O)N1CCOCC12CCC2)c1ccc2c(c1)CCC2 97162761 NIFGGOVCZJMNBB-UHFFFAOYSA-N 328.412 1.687 0 40 EDAB CN(C)CCN1CCC[C@@]2(C[C@H]3CC[C@H]2N3Cc2cnn(C)c2)C1=O 306141414 VVGGUNXFQLIFCR-LMMKCTJWSA-N 345.491 1.327 0 40 EDAB Cc1cc2c(cc1C)O[C@H](C(=O)NCC(=O)NCC(F)(F)F)C2 72302788 DZIKMFDFDPTLEB-LBPRGKRZSA-N 330.306 1.402 0 40 EDAB O=C(NC1CCOCC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 84388031 DJHPFDARMGBQRM-UHFFFAOYSA-N 337.319 1.889 0 40 EDAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)CO 95998608 LXELOSOLKLVEFW-OAHLLOKOSA-N 333.363 1.520 0 40 EDAB CCN(CC)C(=O)N1CCC[C@H](C(=O)N(CC(=O)O)C2CC2)C1 95969890 OVVXHWYMOIBGNR-LBPRGKRZSA-N 325.409 1.236 0 40 EDAB C[C@H]1CN(c2ccccc2CNCC2(O)CCOCC2)C[C@H](C)O1 88701720 WLDFFWJBMAMABU-HOTGVXAUSA-N 334.460 1.931 0 40 EDAB CS(=O)(=O)N1CCC(CNc2cncc(Br)c2)CC1 89484477 WKQPNZWZTLGKKH-UHFFFAOYSA-N 348.266 1.928 0 40 EDAB Cc1ccc([C@@H](NC(=O)CNC[C@@H]2CN(C)CCO2)C2CC2)cc1 75133314 DVQKKCAITAKVEK-IEBWSBKVSA-N 331.460 1.483 0 40 EDAB Cc1cc(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)n(C)n1 89962597 VYEUDZQWMJJRLJ-HZPDHXFCSA-N 328.416 1.094 0 40 EDAB NS(=O)(=O)CCCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 76019479 OLOBBXMBXFKKMF-BDAKNGLRSA-N 334.800 1.377 0 40 EDAB FC(F)(Cl)c1nnc2sc(-c3nc4ncccn4n3)nn12 61720225 ZLABWQVOTMWWLU-UHFFFAOYSA-N 328.695 1.579 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 409293611 KYQFQZCPRBIEEV-VWPFQQQWSA-N 331.299 1.202 0 40 EDAB CC(=O)Nc1cnn(CC(=O)N[C@H](C)Cc2c(F)cccc2F)c1 516785447 YONCAVKKWIYEIB-SNVBAGLBSA-N 336.342 1.867 0 40 EDAB COc1ccccc1[C@@H]1CCCN1C(=O)COCc1nncn1C 550223908 LZTNBDKXCKEWPZ-AWEZNQCLSA-N 330.388 1.704 0 40 EDAB COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(Cc2snnc2C)C1=O 521395109 KNIIEWDXGJXNER-INIZCTEOSA-N 344.396 1.749 0 40 EDAB CCOc1ccc(NC(=O)CN2CCN(C(C)=O)CC2)cc1OCC 38334992 YSHOMAYHJQLYGK-UHFFFAOYSA-N 349.431 1.587 0 40 EDAB O=C(O)[C@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218038768 YTXLMGAZTPAPGW-HLLBOEOZSA-N 332.377 1.690 0 40 EDAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 38772114 XJUQAFGSQIWZFZ-UHFFFAOYSA-N 348.380 1.514 0 40 EDAB O=C(O)/C=C\C(=O)Nc1ccc(Cl)c(NC(=O)/C=C/C(=O)O)c1 31628671 HSDNLYWHXUATJJ-CIIODKQPSA-N 338.703 1.499 0 40 EDAB O=C1O[C@@H](C(=O)Nc2ccccc2-n2ccnn2)Cc2ccccc21 123157588 TWQVGDSOCUHRDV-MRXNPFEDSA-N 334.335 1.988 0 40 EDAB CC(=O)Nc1ccc(CNC(=O)c2ccc(OCC(N)=O)cc2)cc1 32901158 QEYJRZNVEOCQIN-UHFFFAOYSA-N 341.367 1.439 0 40 EDAB Cc1cc(S(=O)(=O)NCc2ccncc2)ccc1N1CCCC1=O 38756159 PTRJQBMOMJLHJW-UHFFFAOYSA-N 345.424 1.995 0 40 EDAB CC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC 217467985 HOBMRWOYYKERKT-NSHDSACASA-N 344.433 1.910 0 40 EDAB CO[C@@]1(C)C[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1(C)C 74943676 LFANRMHCNVNUHT-PBHICJAKSA-N 336.436 1.705 0 40 EDAB CNC(=O)Cc1csc(NC(=O)CCc2nc3ncccc3[nH]2)n1 79487376 GVJNUSDHIQQIMV-UHFFFAOYSA-N 344.400 1.274 0 40 EDAB C[C@H](C(=O)NC(=O)NC1CC1)N1CCO[C@H](c2cccc(F)c2)C1 66848399 BPNDSVVLWYPFST-ABAIWWIYSA-N 335.379 1.576 0 40 EDAB CC(=O)NC1CCC(NCc2ccc(S(C)(=O)=O)c(C)c2)CC1 133271751 GNQVURCBRZUYHI-UHFFFAOYSA-N 338.473 1.935 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223047284 XKYKUPUBOGTESA-VIFPVBQESA-N 340.430 1.867 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NC[C@@](C)(O)CCSC)c1 75157592 XNILPHRXHLIDJS-AWEZNQCLSA-N 349.474 1.486 0 40 EDAB Cc1ccc(O[C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2)nn1 225423299 OJODXLLKAORHRG-OAHLLOKOSA-N 331.347 1.983 0 40 EDAB C[C@H](c1cccs1)N(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 67623144 COXACSUMHISGCI-NEPJUHHUSA-N 345.490 1.875 0 40 EDAB Cc1cc(=O)n2nc(CN3CCOC[C@H]3c3cccn3C)sc2n1 131861548 LHASLYUXNPSBRF-ZDUSSCGKSA-N 345.428 1.371 0 40 EDAB CCCN(C)CCC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 69350426 CWBBVJOVCASBFM-UHFFFAOYSA-N 347.459 1.712 0 40 EDAB CCn1ccnc1CN1CCN(CC(=O)Nc2cc(C)on2)C[C@@H]1C 69571707 XMTSUIHGEHLENT-ZDUSSCGKSA-N 346.435 1.344 0 40 EDAB Cc1ncc(S(=O)(=O)NC(=O)c2cccc(N(C)C)c2)s1 225789820 CXYGSNNWPIGCDZ-UHFFFAOYSA-N 325.415 1.636 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3cc(C(C)C)ccc3O)CC2)n[nH]1 195533839 GWPXCTRFLTWKQG-UHFFFAOYSA-N 343.431 1.900 0 40 EDAB COc1cncc(O[C@H]2CCN(C(=O)NCCc3ccccc3)C2)n1 225395993 YSVIZMPHISSUAN-HNNXBMFYSA-N 342.399 1.891 0 40 EDAB CC(=O)c1cc(C(=O)O)c(=O)n(-c2cccc(Br)c2)n1 225966156 OHQLLCWUNQTMCX-UHFFFAOYSA-N 337.129 1.896 0 40 EDAB C[C@@H](CCc1cccn1C)NC(=O)N1CCS(=O)(=O)C[C@H](C)C1 192188919 MBTWZLKJJWOUCA-KGLIPLIRSA-N 341.477 1.422 0 40 EDAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1ccsc1)C2 96050343 FERNISQFHGFQAH-KRWDZBQOSA-N 345.472 1.405 0 40 EDAB O=C(N1CCOCC1)N1CCC2(CC1)C(=O)N[C@@H]2c1ccccc1 96244730 FRTWPCIPUNEPTE-OAHLLOKOSA-N 329.400 1.392 0 40 EDAB Cc1cccc(CN2CCO[C@H]3CN(C(=O)c4ccc[nH]4)C[C@H]32)n1 96248838 IHUTUTAXCGGUDC-SJORKVTESA-N 326.400 1.444 0 40 EDAB C[C@@H](Cc1cccs1)NC(=O)N1CCO[C@H](c2nncn2C)C1 583623934 UUAIWLYEPSGNHZ-AAEUAGOBSA-N 335.433 1.591 0 40 EDAB Cn1nnc2cc(C(=O)N3C[C@H](N)CC[C@@H]3C(F)(F)F)ccc21 583619761 DRIHWSJKKSBHAV-BXKDBHETSA-N 327.310 1.463 0 40 EDAB Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cccnc2)o1 96114362 VBHVLQMBQGFFEX-AWEZNQCLSA-N 344.367 1.430 0 40 EDAB biogenic Cc1cccc(C(=O)N2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)n1 96217268 MDKDBFSHSGGVDH-GZBFAFLISA-N 328.372 1.554 0 40 EDAB CN(C)CCn1ccc(C(=O)N(C)C[C@H]2OCCc3ccccc32)n1 578784798 VYXUEDFCDLKPMQ-GOSISDBHSA-N 342.443 1.831 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)N3CCCCO3)O[C@@H]2C1 96066157 GQKJBFRMUSCOKC-USXIJHARSA-N 349.431 1.825 0 40 EDAB CCO[C@H]1CO[C@@]2(CCCN(S(=O)(=O)c3cccnc3)C2)C1 96107224 IFJXRAVFWIXXRS-HIFRSBDPSA-N 326.418 1.430 0 40 EDAB CCn1nnc2c1[C@@H](COC)CN(C(=O)COc1ccccc1)C2 96045518 KIDIMXSXSDFKBJ-CYBMUJFWSA-N 330.388 1.449 0 40 EDAB Cc1ccc(C(=O)N2Cc3nnn(C)c3[C@H](COCCN(C)C)C2)o1 96060682 WRLMJAMKJAWVLY-ZDUSSCGKSA-N 347.419 1.034 0 40 EDAB Cc1cccc(S(=O)(=O)N2Cc3ncn(C)c3[C@H](C(=O)O)C2)c1 96196743 NZQUTNIRYWSUEC-GFCCVEGCSA-N 335.385 1.101 0 40 EDAB Cn1cccc1C(=O)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96206345 YHBMHASWBLXBEY-KSSFIOAISA-N 327.384 1.873 0 40 EDAB O=C(N1CCCC1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96049023 GWIZCOSIWMXGPL-UHFFFAOYSA-N 349.410 1.503 0 40 EDAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNC2CCOCC2)COC1 96112751 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O=C(CN[C@@H]1CCc2ncnn2C1)N(Cc1cccs1)C1CC1 69922084 DHIZFZQQOOFCLP-GFCCVEGCSA-N 331.445 1.435 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(-c3cncn3C)n2)C1 257285858 PJEYVFPNKUGQDU-CYBMUJFWSA-N 349.460 1.468 0 40 EDAB Cc1ncc(-c2cccc([C@@H]3CCCN3S(=O)(=O)N(C)C)n2)n1C 257316615 VGINFAASFDYRSR-HNNXBMFYSA-N 349.460 1.734 0 40 EDAB Cc1nc(O)cc([C@@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)n1 257290588 QDMYXOKQWSOPRR-LBPRGKRZSA-N 337.405 1.140 0 40 EDAB CCc1nocc1CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1615056502 ZLZQBZRWSSOMOX-ZIAGYGMSSA-N 325.409 1.697 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCn1ccc(-c2ccccn2)n1 96098921 SAEIZMGTPZBRFW-UHFFFAOYSA-N 347.400 1.528 0 40 EDAB CNS(=O)(=O)CC(=O)NCCn1c2ccccc2c2ccccc21 390834082 RMNXYRKRMJPVQG-UHFFFAOYSA-N 345.424 1.460 0 40 EDAB O=S1(=O)CC[C@H](NC(=S)Nc2nc3ccccc3s2)C1 575425207 QWUDPORPZVTDMU-QMMMGPOBSA-N 327.456 1.770 0 40 EDAB Cc1cccc(C(=O)N2CC3(C2)CN(C)[C@H](C(=O)NC(C)C)CO3)c1 575406168 VWUHMYKYFUXCEE-INIZCTEOSA-N 345.443 1.045 0 40 EDAB 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CC(C)CN1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1=O 547645687 PTEITTRYOCGFBZ-OAHLLOKOSA-N 349.475 1.494 0 40 EDAB CCn1c2cc(C)oc2c2cnn(CC(=O)NCC3CC3)c(=O)c21 12131838 UODTWDAQMPBPCQ-UHFFFAOYSA-N 328.372 1.799 0 40 EDAB O=C(Cn1nc2c3ccccc3ncn2c1=O)NCc1cccs1 12181789 KTRMHYMLSHWAJI-UHFFFAOYSA-N 339.380 1.422 0 40 EDAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cnc(C)cn1 12185267 MTRSSOVUARLRQG-AWEZNQCLSA-N 337.383 1.704 0 40 EDAB COc1ccc(/C=C(\NC(C)=O)C(=O)N2CCOCC2)cc1OC 12404097 VAMGJWIILGOHBQ-UVTDQMKNSA-N 334.372 1.040 0 40 EDAB CC(=O)Nc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 12902370 ZRVZWOXPYJWYNX-UHFFFAOYSA-N 344.371 1.545 0 40 EDAB COCc1nn2c(=O)c(NC(=O)c3ccccc3OC)cnc2s1 13999778 DZRXUXXXWGLVDY-UHFFFAOYSA-N 346.368 1.558 0 40 EDAB Cc1cccc(C(=O)OCC(=O)NC(=O)NCc2cccs2)c1O 14128655 LOIKLLVNGQZLND-UHFFFAOYSA-N 348.380 1.945 0 40 EDAB COC(=O)CSc1nc2ncc(C(=O)N3CCCCC3)c(C)n2n1 14608460 PZIINNIQVWWYID-UHFFFAOYSA-N 349.416 1.324 0 40 EDAB O=C1C[C@H](c2ccccc2)C(=O)N2C(=O)C[C@@H](c3ccccc3)C(=O)N12 16892049 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40 EDAB Cc1nn(C)c2cnn(CCNC(=O)[C@H]3CCCC[C@H]3C(=O)O)c12 57279870 GEDKMUIIQDLPGA-NWDGAFQWSA-N 333.392 1.085 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 107721827 TUNIWZIVLPVNQS-BZSNNMDCSA-N 346.427 1.783 0 40 EDAB COCCCN1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2 8393126 RTEGDVYCVMDDJL-CQSZACIVSA-N 335.791 1.827 0 40 EDAB CN1C[C@@]2(C)CN(C(=S)NC(=O)c3ccccc3)C[C@@](C)(C1)C2O 12389719 IBVLDUKDULBWAB-ZNXRZULTSA-N 347.484 1.336 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)Nc3nc4ccccc4[nH]3)cnc21 40481386 ICJWJCUJFQRSFS-UHFFFAOYSA-N 337.343 1.035 0 40 EDAB CCCn1c(C)c(C(=O)N2CCNC(=O)C2)c2cc(OC)ccc21 24299219 RLFYCTIKYPJZDI-UHFFFAOYSA-N 329.400 1.940 0 40 EDAB CC(C)c1noc(CCC(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)n1 106059311 VWJJSPLBHRVAHU-MCIONIFRSA-N 338.452 1.740 0 40 EDAB CCc1c(C(=O)/N=c2/sccn2C)cnn1-c1ccc(OC)nn1 24785226 RTMYRRNUKRDBCE-BMRADRMJSA-N 344.400 1.374 0 40 EDAB O=C(NCc1nnc2n1CCC2)Nc1ccc(Cn2cccn2)cc1 69188053 HUEVHQRJXNFXML-UHFFFAOYSA-N 337.387 1.791 0 40 EDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1nnc(C2CC2)s1 12588325 RVVJPJGZJJOPLE-PHIMTYICSA-N 348.428 1.919 0 40 EDAB CC[C@@H]1CN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CCN1C[C@H](C)O 107351103 YCARMOMLKAYALA-RRFJBIMHSA-N 344.459 1.761 0 40 EDAB O=C(CN1CCO[C@@H]2CCCC[C@@H]21)NC[C@@H]1Cc2ccccc2O1 107342726 KBJJNWKAVJYNCC-XYJFISCASA-N 330.428 1.750 0 40 EDAB O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCCC1 21898574 PWWLEYHMDSVDEA-CQSZACIVSA-N 338.429 1.380 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(OC)n2)c1 12540273 YZLFSRVRJGSSOP-UHFFFAOYSA-N 336.369 1.702 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)NCCCOC[C@H]1CCCO1 44606167 JROIFVRCGPKPGI-OAHLLOKOSA-N 345.399 1.098 0 40 EDAB CCOC(=O)NC1CCC(OC(=O)C2=NN(C)C(=O)CC2)CC1 58289911 ANROXESSDACQGW-UHFFFAOYSA-N 325.365 1.195 0 40 EDAB COCCn1nc(C(=O)N[C@H](C)c2cc(F)ccc2F)ccc1=O 44908969 GLVYSJSPKRROBO-SNVBAGLBSA-N 337.326 1.659 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCN(c3cnccn3)CC2)cc1 44906708 UURXPGWSNCJNJA-UHFFFAOYSA-N 339.443 1.566 0 40 EDAB CC(=O)N1CCC(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 44913266 ZNKIJJAPFLCPCP-UHFFFAOYSA-N 347.806 1.661 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCC(C(=O)NCc2ccco2)CC1 58393090 QFEQKMBBHOQCGM-CQSZACIVSA-N 333.432 1.619 0 40 EDAB CN(C)c1cccc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 58342134 PELSWBWSSHYLNP-CQSZACIVSA-N 339.461 1.040 0 40 EDAB Cc1nc(S(=O)(=O)Nc2c(C(N)=O)oc3ccccc23)cn1C 58340948 VWZIHMLTNIDJIY-UHFFFAOYSA-N 334.357 1.374 0 40 EDAB Cc1cc(CN2CCN([C@@H](C)C(=O)Nc3nccs3)CC2)on1 27907159 RMGPPBRESURREH-LBPRGKRZSA-N 335.433 1.584 0 40 EDAB CCCCCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 2294817 NOHQTJXYOGGAKZ-UHFFFAOYSA-N 333.436 1.994 0 40 EDAB CC(C)CN1C(=O)[C@](NC(=O)c2ccco2)(C(F)(F)F)N=C1O 2211238 CGVJGVZVCFPSHW-GFCCVEGCSA-N 333.266 1.680 0 40 EDAB CCCNC(=O)COC(=O)c1cccc(I)c1 3292542 VNICLJAEZJYWEV-UHFFFAOYSA-N 347.152 1.974 0 40 EDAB O=C(O)[C@@H]1CCN(C(=O)COc2cccc(Br)c2)C1 62118438 IKWZQPPSAOVNJQ-SECBINFHSA-N 328.162 1.761 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)NC[C@H](O)CN1CCCCC1 48300629 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Cc1noc(C)c1[C@H](C)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69774072 GWGROSVYMATSDM-ZDUSSCGKSA-N 345.447 1.863 0 40 EDAB COCCNC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 6719648 ZDNBTGUBZQWSNI-UHFFFAOYSA-N 340.401 1.115 0 40 EDAB C[C@H]1C[C@@H]1C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 4806644 BLKGJDUGIBRLEB-ONGXEEELSA-N 334.328 1.305 0 40 EDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCCN(Cc2cscn2)CC1 69842529 RUEFORHVOWTOGX-CYBMUJFWSA-N 348.472 1.188 0 40 EDAB NS(=O)(=O)CCCS(=O)(=O)Cc1ccc(Cl)cc1Cl 69840423 XNFQHHZYRQCWEG-UHFFFAOYSA-N 346.257 1.587 0 40 EDAB CCN1CCC[C@H]1CN1C[C@H](C(=O)NC2CCSCC2)CC1=O 69847160 CBWAJDIJXJDDGT-HIFRSBDPSA-N 339.505 1.331 0 40 EDAB COc1cc(C(=O)N2CCN(C[C@H](C)O)CC2)cc(Cl)c1OC 69875155 VSGDLXZWXNPJCT-NSHDSACASA-N 342.823 1.496 0 40 EDAB CC(C)c1cc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)on1 69842425 VSKCLWVZNFCFLH-CYBMUJFWSA-N 332.408 1.740 0 40 EDAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)N1CCOCC1 4948441 PCLMARSLDXQRLK-UHFFFAOYSA-N 327.764 1.429 0 40 EDAB C[C@H](Oc1cccc(C(=O)NCCO)c1)C(=O)N(C)C1CCCCC1 69968993 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CCn1c(CNC(=O)CCS(=O)(=O)C2CCCC2)n[nH]c1=S 71846976 KEUZRHWWUDMDIA-UHFFFAOYSA-N 346.478 1.324 0 40 EDAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(=O)[nH]c1 71832770 WKDLXFCTNCWITK-LLVKDONJSA-N 333.338 1.909 0 40 EDAB Cn1c(=O)n(C)c2cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)ccc21 409014856 QBLPNQSSKZPPCQ-GXDHUFHOSA-N 348.362 1.974 0 40 EDAB CC(C)(C)c1cc(NC(=O)CN2CCN(c3cnccn3)CC2)on1 96839886 XWOQDBYULYGBMI-UHFFFAOYSA-N 344.419 1.523 0 40 EDAB CC[C@H](CO)N1CCN(C(=O)c2cccc(Br)c2)CC1 89943511 RGBZDRPTIRFWOI-CQSZACIVSA-N 341.249 1.978 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCC(=O)N4)C2)no1 72232325 NOXBPEQKCHXKGD-GFCCVEGCSA-N 342.355 1.729 0 40 EDAB Cc1cccc(OC[C@H](O)CNC[C@@H]2CCCN2c2cccnn2)c1 72253910 HZMAAAFDSQCEJM-DLBZAZTESA-N 342.443 1.783 0 40 EDAB Cc1cc(N2C[C@H](C(=O)N[C@H](C)c3ncon3)CC2=O)ccc1F 97079751 AOHWPJRNFAAKGH-GHMZBOCLSA-N 332.335 1.747 0 40 EDAB O=C(c1cc(Cl)ccc1Br)N1CCN(CCO)CC1 75572286 VAFPGSKHFPMUBQ-UHFFFAOYSA-N 347.640 1.853 0 40 EDAB CC(=O)N[C@@H](CC(=O)N[C@@H]1CCc2nccn2C1)c1ccc(C)cc1 97197469 LNNLJDCPNROYAX-SJORKVTESA-N 340.427 1.890 0 40 EDAB Cc1n[nH]c([C@H]2CN(CCCn3c(=O)oc4ccccc43)CCO2)n1 76048609 CFKMYVNMKBTWCL-OAHLLOKOSA-N 343.387 1.485 0 40 EDAB CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 84575051 KTRXCURZCPIEES-CYBMUJFWSA-N 327.450 1.577 0 40 EDAB C[C@H]1CN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)O1 95377654 NQCWAHBPUNLUHH-BETUJISGSA-N 337.420 1.267 0 40 EDAB CCOC(=O)CN(CC(N)=O)Cc1ncc(-c2ccc(OC)cc2)o1 95462485 ZXELPBDBZMUZLA-UHFFFAOYSA-N 347.371 1.201 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC(Cc2cccnc2)CC1 95457416 WGKMXYMHWJYPRH-OAHLLOKOSA-N 337.445 1.233 0 40 EDAB CCC[C@@H]1C(=O)NCCN1c1cc(-c2ccccc2)nc2ncnn12 95451667 OGKZWTZQFXJESS-OAHLLOKOSA-N 336.399 1.896 0 40 EDAB CCOC(=O)[C@H](C)NC(=O)c1cncc(I)c1 95441101 ATWKJGTYFFMPEL-ZETCQYMHSA-N 348.140 1.368 0 40 EDAB O=C(CN1CCn2c(nnc2-c2ccccc2)C1)NCC1CCC1 76183971 BAAZYEPVQCENRP-UHFFFAOYSA-N 325.416 1.677 0 40 EDAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(OCC(N)=O)cc1 84736325 PYRDVNZENIXTSQ-RDJZCZTQSA-N 333.432 1.287 0 40 EDAB C[C@@H](CNC(=O)NCc1ccc2c(c1)CCC2)CN1CCN(C)CC1 73750049 HQCXSYGVDDQTJU-INIZCTEOSA-N 344.503 1.858 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)N=c1cc[nH]cc1 78806503 OXMMRNFCOLIVGX-ZDUSSCGKSA-N 347.440 1.539 0 40 EDAB CC(=O)N1CCN(C(=O)CNc2c(F)cccc2NC(C)C)CC1 95994909 UJZOSCNHLPOFAS-UHFFFAOYSA-N 336.411 1.749 0 40 EDAB CC(C)[C@@H](NC1CCOCC1)C(=O)NCC1(O)CCCCCC1 78997789 CFTWMKWBBOOGAB-MRXNPFEDSA-N 326.481 1.981 0 40 EDAB Cc1[nH]nc(C(F)(F)F)c1C(=O)N[C@@H]1Cc2cccnc2NC1=O 1548801414 OJAUEAAWTCMXGQ-MRVPVSSYSA-N 339.277 1.425 0 40 EDAB O=C(NC[C@@H]1CC[C@@]2(COCCN(CC3CC3)C2)O1)c1ccno1 306132569 LMNIQHYJJBGXEL-WMLDXEAASA-N 335.404 1.064 0 40 EDAB O[C@@H]1CCN([C@@H]2CCC[C@@H]2NCc2nc(-c3ccc(F)cc3)no2)C1 1548967038 REHBPOGUKOADGQ-OWCLPIDISA-N 346.406 1.953 0 40 EDAB CC(=O)N1CCN(Cc2ccccc2NCc2cnnn2C)CC1 548364406 KNIDGOZUYCIXJV-UHFFFAOYSA-N 328.420 1.091 0 40 EDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](CC(=O)O)c1cccc(Cl)c1 519598886 BBHAZHDEZWOWLX-BIMULSAOSA-N 347.820 1.953 0 40 EDAB Cn1nc2c(c1NC(=O)c1cccc(N3C(=O)CCC3=O)c1)CCC2 36704270 VGKBOCXNBDJFBF-UHFFFAOYSA-N 338.367 1.815 0 40 EDAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)C3CC3)C[C@@H]12 72395815 SCRFOJCPDFTWLE-BEFAXECRSA-N 326.396 1.972 0 40 EDAB CN(Cc1noc(C2CCC2)n1)C(=O)c1nc(=O)[nH]c2ccccc12 32578124 NCNJCNVDKJLOPW-UHFFFAOYSA-N 339.355 1.846 0 40 EDAB CCN(CC)Cc1c(C(=O)c2ccccc2C)c(=O)n(C)c(=O)n1C 36366487 JOVFGGVQGRADPX-UHFFFAOYSA-N 343.427 1.465 0 40 EDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C(=O)O)cc1 218551678 NBYQJVWOPYSNOZ-HLLBOEOZSA-N 331.393 1.717 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2C)C1 78602745 TYQGHEWHWSYBOC-AWEZNQCLSA-N 349.431 1.169 0 40 EDAB O=C(Nc1cccs1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238954156 XOUJKNFDSPIZDI-RYUDHWBXSA-N 331.397 1.915 0 40 EDAB CC(C)Cn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O 40478573 CEZOJBVRENWHEO-UHFFFAOYSA-N 343.427 1.878 0 40 EDAB Cc1ccc(CCC(=O)N2CC[C@H](N3C(=O)COC3=O)C2)cc1C 225701185 YYBZOUZIKMDOLA-HNNXBMFYSA-N 330.384 1.816 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@@H](O)c2csc3ccccc23)cn1 225697324 MTIROIOZXLVELP-CYBMUJFWSA-N 337.426 1.647 0 40 EDAB COc1ccccc1CCNC(=O)[C@@H]1CSc2nccc(=O)n2C1 85473977 POIPPITUTCAOFX-ZDUSSCGKSA-N 345.424 1.333 0 40 EDAB O=C1CCSC[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)N1 226753169 CAGFVJXNZDZIPH-AWEZNQCLSA-N 330.413 1.492 0 40 EDAB Cc1csc(CN2C[C@@H]3COC[C@]3(CNC(=O)CC3CC3)C2)n1 96207898 RKRRGNPJPWAJJU-PBHICJAKSA-N 335.473 1.816 0 40 EDAB Cn1cc(CNC[C@H]2Cn3nnc(-c4ccsc4)c3CO2)cn1 96061041 WJMQPBBOCDZMKW-ZDUSSCGKSA-N 330.417 1.429 0 40 EDAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1csnn1 97095273 DUGAGROVFMNDRF-CQSZACIVSA-N 332.429 1.425 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)Cc1ccccc1CNC2=O 96161282 XVXLDCUVWUNQOH-UHFFFAOYSA-N 336.395 1.572 0 40 EDAB CC(C)n1cnnc1[S@](=O)CC(=O)N(C)Cc1cccs1 96461450 AMOPDZVAZLCSSL-NRFANRHFSA-N 326.447 1.687 0 40 EDAB CN1CCO[C@@H](CNC(=O)CCc2cncn2C)[C@@H]1c1ccccc1 583620970 VDGVZAKURUIHRI-HKUYNNGSSA-N 342.443 1.541 0 40 EDAB C1=C[C@H](N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CCC1 96415022 AXWJLAHSFXDJMQ-INIZCTEOSA-N 329.448 1.544 0 40 EDAB Cn1ccnc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)c1=O 97102206 GOPBWUHCEFZIKD-UHFFFAOYSA-N 347.318 1.741 0 40 EDAB CCN(CC)C[C@@H]1OC[C@H](NC(=O)Nc2cccc(OC)c2)[C@H]1O 514288372 BLWIXRSHGRATLN-HRCADAONSA-N 337.420 1.287 0 40 EDAB biogenic,in-vitro O=S(=O)(Cc1ccon1)c1nnc2ccc(C(F)(F)F)cn12 96451860 GXLVRILMOKPOLN-UHFFFAOYSA-N 332.263 1.710 0 40 EDAB CCN1CCn2c(C)cnc2C12CCN(S(=O)(=O)CC)CC2 96037067 BKCWRFWMRCHWJD-UHFFFAOYSA-N 326.466 1.168 0 40 EDAB Cc1noc(C)c1CN1CCn2c(Cn3cncn3)cnc2[C@@H]1C 96070161 FGHUQKVZYJRHAL-LBPRGKRZSA-N 327.392 1.705 0 40 EDAB CNS(=O)(=O)CC(=O)NCCc1cccc(Cl)c1Cl 95409327 HYXFOIZSAOESFP-UHFFFAOYSA-N 325.217 1.201 0 40 EDAB COC(=O)[C@@](C)(NC(=O)Cc1ccn(-c2ccccc2)n1)C1CC1 96461970 FQUSEBRUYWKMTA-SFHVURJKSA-N 327.384 1.873 0 40 EDAB CC(C)CN1CCNC(=O)C12CCN(C(=O)Cc1ccsc1)CC2 96077185 CXTQFMNHQMCUMK-UHFFFAOYSA-N 349.500 1.740 0 40 EDAB Cc1ccc([C@H]2[C@H](C(=O)NCc3ccccn3)OCC(=O)N2C)cc1 96181502 MOJIXTPNNCZMFW-ZWKOTPCHSA-N 339.395 1.605 0 40 EDAB c1csc(CN2CCC[C@@]3(COCCN(Cc4cn[nH]n4)C3)C2)n1 96049499 YZMVMVTZKNBQGC-MRXNPFEDSA-N 348.476 1.376 0 40 EDAB CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccccn3)C2)C1 96228835 NCVBESTXLUWSSL-IBGZPJMESA-N 346.475 1.198 0 40 EDAB Cc1nc(-c2cnn(C)c2)nc2c1CN(C(=O)[C@H]1CCCO1)CC2 96253939 CFKVYUGSPDWENY-OAHLLOKOSA-N 327.388 1.249 0 40 EDAB O=C(c1cccc(F)c1)N1C[C@@H]2OCCN(c3ncccn3)[C@@H]2C1 96081777 JFTLRXDIRVQPRW-CABCVRRESA-N 328.347 1.346 0 40 EDAB C[C@H](c1cccnc1)N1CCN(CC(=O)NC2CCOCC2)CC1 96424349 UOANCPBOOIFWQB-OAHLLOKOSA-N 332.448 1.055 0 40 EDAB C[C@@H]1CCN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)C[C@@H]1O 96494199 JAGHPJKUSBMKPV-RNCFNFMXSA-N 338.770 1.903 0 40 EDAB Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)Cn1ccnc1 96411191 MWKCXQGSNBQWKE-BBRMVZONSA-N 339.403 1.167 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 247358449 YOIJMYGCLQPTDH-CYBMUJFWSA-N 338.429 1.434 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2cnc3ccccc3c2)Cc2ccnn21 247946119 JZIOBHQSYFMXMU-MRXNPFEDSA-N 335.367 1.374 0 40 EDAB Cn1cc(C(=O)N2CC3(C2)OCC[C@H]3CCOc2cccnc2)cn1 248142282 QOJUTRWTDWMXAA-OAHLLOKOSA-N 342.399 1.515 0 40 EDAB O=C(c1cc2c(nc1O)CCC2)N1CCO[C@H](c2ccncc2)C1 257315231 VALGBBCLCXGCOZ-INIZCTEOSA-N 325.368 1.885 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](NCCS(C)(=O)=O)C12CCC2 585124178 MDUCNUJOYPRYSI-LBPRGKRZSA-N 332.466 1.553 0 40 EDAB CCCC(=O)N1CCC[C@H](C(=O)Nc2cncnc2-n2cccn2)C1 585126853 JZPIONDSDBAZQC-ZDUSSCGKSA-N 342.403 1.640 0 40 EDAB Cc1nocc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 585125364 PFXQUZVTSRQNPN-NSHDSACASA-N 343.339 1.746 0 40 EDAB C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CN(S(C)(=O)=O)CCO1 257259098 KWVGEBONRLKKIZ-INIZCTEOSA-N 349.412 1.224 0 40 EDAB CC(C)N1CCN(C(=O)CCOc2cccc(F)c2)C[C@@H]1C(N)=O 257248987 JGDPHYQTBLKLFS-OAHLLOKOSA-N 337.395 1.001 0 40 EDAB NCc1cn(-c2ccccc2C(=O)NCCN2CCCCC2)cn1 257327497 XBORAHQMPGVLAN-UHFFFAOYSA-N 327.432 1.547 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)c3cc4nc(C)cc(C)n4n3)CCO2)n1 257203607 AQVPLZIRKUVMDJ-CQSZACIVSA-N 340.387 1.591 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccccc2)C1 257341770 ZLXLSAVNKXSGDA-ZDUSSCGKSA-N 347.440 1.908 0 40 EDAB CC(=O)N1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN2C(C)(C)C1 253396111 DCBGFDOUKWYPGA-INIZCTEOSA-N 348.422 1.985 0 40 EDAB biogenic,in-vitro CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2ccc(C)nc2)n1 257329055 XIESRQFFUWCVTI-QGZVFWFLSA-N 339.399 1.793 0 40 EDAB CNC(=O)[C@@H]1CNCCN1C(=O)c1cccc(Oc2ccccc2)c1 257264291 LTTKVJDJMAYMEK-KRWDZBQOSA-N 339.395 1.639 0 40 EDAB CCc1cc(C(=O)N2CCC[C@@H]2c2cncc(CNC(C)=O)n2)on1 257278991 OENIYMWJFQEHEI-OAHLLOKOSA-N 343.387 1.640 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(Cc3ncc[nH]3)CCN2C(C)=O)c1 257261777 LITYHZVIROZTSL-INIZCTEOSA-N 341.415 1.175 0 40 EDAB O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@H](c2ccncc2)C1 257339828 ZDJQHPWVRREVGS-INIZCTEOSA-N 335.367 1.876 0 40 EDAB CCN(CCO)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccccc1F 257344625 ZYBBEOJQJOIAMJ-PBHICJAKSA-N 336.407 1.966 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)n1 257200532 ADSCMBWHAUYEGJ-INIZCTEOSA-N 329.404 1.963 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)C3CCN(C)CC3)CCO2)n1 257237469 HGPHGBUAXIZKBO-SFHVURJKSA-N 346.475 1.698 0 40 EDAB O=C(O)C1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 262504200 NXWSZVKRMFTTFX-OAHLLOKOSA-N 346.383 1.741 0 40 EDAB O=C(Nc1ncccc1O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 276227597 YITMWCPNAGANQF-OLZOCXBDSA-N 331.372 1.167 0 40 EDAB O=C(O)c1cc(S(=O)(=O)N(CCO)c2cccc(F)c2)cs1 390835275 ITVPKZCZNLFBSJ-UHFFFAOYSA-N 345.373 1.773 0 40 EDAB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O 100091162 CJDRUOGAGYHKKD-BDXZSHBPSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro CN(c1nncs1)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 390833516 IQJYLCCCGZMAPW-UHFFFAOYSA-N 342.377 1.387 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)C3(F)CCC3)C[C@H]12)c1cccnc1 575406721 ZUFJYUJDPJGPKW-RRFJBIMHSA-N 347.390 1.177 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)NCc1nc(C2CCOCC2)no1 575605213 BVNBMRQJBCBVKJ-UHFFFAOYSA-N 333.392 1.553 0 40 EDAB Cc1ccc(OC[C@]2(O)COCCN(c3ccnc(C)n3)C2)cc1 585275358 CZFNMIKUXYMOTB-GOSISDBHSA-N 329.400 1.740 0 40 EDAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2cc(F)ccc2F)C1 585277210 GTOGHZQOUJNHJU-MRXNPFEDSA-N 326.343 1.852 0 40 EDAB Cc1c[nH]nc1C[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 585182118 JSSLYGICZUIRSN-AWEZNQCLSA-N 338.415 1.944 0 40 EDAB Cn1ccc(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1=O 52906264 USBAEOGVGLAKCH-QGZVFWFLSA-N 346.452 1.575 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N(C)Cc1cc(Br)ccc1F 58184672 YQTLGGMSPUVKEK-QMMMGPOBSA-N 346.200 1.864 0 40 EDAB CCOc1cccc(C(=O)N2CCN(c3nccc(OC)n3)CC2)c1 65609596 CLUYOKCDRZHODY-UHFFFAOYSA-N 342.399 1.846 0 40 EDAB C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc2c(c1)OCO2 84139590 HCDTWKOJJKAXQK-QWRGUYRKSA-N 342.417 1.378 0 40 EDAB CCOC(=O)CN1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1 77152745 YKRBPKVMGAIYSF-UHFFFAOYSA-N 344.415 1.314 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1 585332303 RAQHGSXUVUCSCG-UHFFFAOYSA-N 345.399 1.630 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cc(I)cn2)C1 77963046 FJXOMVOWYDBBQE-NXEZZACHSA-N 347.200 1.992 0 40 EDAB CCC(CC)c1nnc(NC(=O)N2C[C@@H](CO)C[C@H]2CO)s1 1615587441 LWHNKNZAOXGUTL-ONGXEEELSA-N 328.438 1.649 0 40 EDAB Cc1cccc2c1OC[C@H](NC(=O)NCC1CCN(CCO)CC1)C2 1615540747 MRBZPUPSEGQKLM-QGZVFWFLSA-N 347.459 1.302 0 40 EDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1ccc2c(c1)OCO2 12408950 GEHNIWXPJLLXLD-UHFFFAOYSA-N 341.327 1.026 0 40 EDAB CC[C@H](C(=O)NCCCN(C)C)N(c1ccccc1)S(C)(=O)=O 13711808 CDVXQBWYIRQHQE-OAHLLOKOSA-N 341.477 1.299 0 40 EDAB CN(C)CCSc1nnc2c3ccccc3n(CC(N)=O)c2n1 1507819 XGFLNWCYNGGSHW-UHFFFAOYSA-N 330.417 1.119 0 40 EDAB O=C([C@@H]1CCOC1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390832156 XRLCHNITKKQMAO-DGCLKSJQSA-N 329.443 1.473 0 40 EDAB Cc1cccc(NC(=O)NCC(=O)Nc2ccc(F)c(C(N)=O)c2)c1 25145612 PGEDOPPSFTYTGQ-UHFFFAOYSA-N 344.346 1.993 0 40 EDAB COc1cc(C)c(S(=O)(=O)NC[C@H](C)N2CCOCC2)c(C)c1 30338058 QHKALZFJQMFYGD-AWEZNQCLSA-N 342.461 1.311 0 40 EDAB COc1ccnc(N2C[C@H]3CN(C(=O)c4c(C)noc4C)C[C@H]3C2)n1 1065958493 LNUCJLOAPJCNOL-BETUJISGSA-N 343.387 1.298 0 40 EDAB Cn1cc(C(=O)N2CCC[C@@](O)(COc3ccccc3)CC2)cn1 2037905539 ACYLEWHAPWNISI-SFHVURJKSA-N 329.400 1.856 0 40 EDAB COc1cccc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)c1OC 2037983687 CFWDNZXOZZQZND-GJZGRUSLSA-N 334.416 1.383 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3CCN(c4ncccn4)CC[C@H]3C2)n(C)n1 2056223787 AVDVYRDTHFSMDW-GASCZTMLSA-N 340.431 1.507 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)COc3cc(F)ccc3F)C[C@@H]2C1 1614933472 OZTWIWWTBMECLD-XHDPSFHLSA-N 326.343 1.133 0 40 EDAB O=C(c1ccsc1)N1CCO[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 1565541575 RRPHJYQQORDPMD-YJBOKZPZSA-N 342.420 1.873 0 40 EDAB O=S(=O)(NCc1nnnn1-c1cccc(F)c1)c1ccccc1 10594557 SNHLMKKRGZHJLI-UHFFFAOYSA-N 333.348 1.280 0 40 EDAB COc1ccc(CC(=O)N[C@H]2CCc3onc(CN(C)C)c3C2)cc1 2055730241 PBTKFZPWLLRAFQ-AWEZNQCLSA-N 343.427 1.961 0 40 EDAB COC(=O)CS[C@H]1CCN(S(=O)(=O)/C=C/c2ccccc2)C1 217566685 CJENWCIVSNSVPM-PLWJUESGSA-N 341.454 1.968 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)c(C)c1 49982694 VBWYCBNNYGWLKY-UHFFFAOYSA-N 348.472 1.506 0 40 EDAB CCOc1cc(C=O)ccc1OCCCN1CCN(CCO)CC1 19798072 YFQJZYMCRTUYAN-UHFFFAOYSA-N 336.432 1.277 0 40 EDAB CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 80529 LZXUMRWBEQDWAK-UHFFFAOYSA-N 348.424 1.945 0 40 EDAB COc1cc([C@H]2[C@@H]3[C@@H](C)NC(=O)N(C)[C@H]3NC(=O)N2C)ccc1O 518987 MARUVGFEWOBMAJ-DGJRKYIQSA-N 334.376 1.083 0 40 EDAB CC(C)(CNS(=O)(=O)c1cccc2cnccc12)N1CCOCC1 55215069 BFEHRSLUKISQMB-UHFFFAOYSA-N 349.456 1.624 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCC(=O)NCc2ccco2)c(C)c1 798582 DLBNWQWXQFFWQK-UHFFFAOYSA-N 336.413 1.800 0 40 EDAB Cn1c(=O)ccn(CC(=O)Nc2sccc2C(=O)C(C)(C)C)c1=O 78815386 LGHIAAQPMNACHY-UHFFFAOYSA-N 349.412 1.476 0 40 EDAB CCc1cnc(CN(C(C)=O)[C@@H]2CCN(CCc3cnn(C)c3)C2)o1 78892276 YIROOSRFVNAEPO-MRXNPFEDSA-N 345.447 1.636 0 40 EDAB Cc1cc(C)nc(N2CCC[C@H](C(=O)NCC3CCOCC3)C2)n1 79501743 DTDHHRYUARKSAA-INIZCTEOSA-N 332.448 1.853 0 40 EDAB Cc1ccc(NC(=O)Cn2c(=O)cc(C)n3c(C)nnc23)cc1F 1428230 CHFLCYLBEIZXDG-UHFFFAOYSA-N 329.335 1.594 0 40 EDAB COc1ccc(C2(CNC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CCOCC2)cc1 56452582 IOXSRTVIHBMENM-LSDHHAIUSA-N 334.372 1.525 0 40 EDAB CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 57265173 BYFKPYDQYREFNJ-JTQLQIEISA-N 332.372 1.454 0 40 EDAB CCOC(=O)COn1c(C)c(C(=O)OCC)c2c3nonc3ccc21 6658388 VGTKVVMBXCEMCG-UHFFFAOYSA-N 347.327 1.654 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1 6817935 JLFWGHDHKHWTIX-UHFFFAOYSA-N 338.414 1.638 0 40 EDAB CCCC(=O)N1CCCC[C@H]1C(=O)NC1CCC2(CC1)OCCO2 57496447 RXEKSCINVCBWQL-HNNXBMFYSA-N 338.448 1.970 0 40 EDAB O=C1CCN(CC(=O)N[C@H](c2ccccc2)c2nccs2)CCN1 108361334 HBMTYROLFJKPBI-MRXNPFEDSA-N 344.440 1.171 0 40 EDAB CN(C)c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)cn1 58066276 XNBOFMFXMKNRBQ-INIZCTEOSA-N 338.411 1.679 0 40 EDAB Cc1c(CCC(=O)NCC(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2125904 ZRCQXXHGJHOLTP-UHFFFAOYSA-N 339.731 1.594 0 40 EDAB biogenic CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1 58263876 JVYSJXUPCHCLRC-JKSUJKDBSA-N 336.457 1.720 0 40 EDAB O=C(NCCc1cccnc1)N[C@H]1CCCN(c2ncccn2)C1 44967870 CYDXJCKTTIBVQX-HNNXBMFYSA-N 326.404 1.382 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 44969562 FCSBFUMPWAQZFO-VXGBXAGGSA-N 327.388 1.827 0 40 EDAB C[C@@H](c1nc(-c2cccs2)no1)N1CCN(CC(=O)N(C)C)CC1 58328894 BCSFMGWRCMCWMI-LBPRGKRZSA-N 349.460 1.565 0 40 EDAB Cc1noc(C)c1CC(=O)Nc1cc(Br)c[nH]c1=O 58343324 XLPMDNZRQVLVNJ-UHFFFAOYSA-N 326.150 1.923 0 40 EDAB CCNC(=O)NC(=O)CNc1ccc(C(=O)N2CCCC2)cc1C 58324788 AVQHXOPCZVQNSX-UHFFFAOYSA-N 332.404 1.489 0 40 EDAB O=C(c1cccnc1N1CCCC1)N1CCN(C(=O)C2CC2)CC1 12753814 MWUQNQYSDJRRIP-UHFFFAOYSA-N 328.416 1.376 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)COc2ccccc2Cl)C1=O 28988056 YBRNAQOQQXALAF-CQSZACIVSA-N 325.752 1.471 0 40 EDAB COc1cccc(CNC(=O)CS(=O)(=O)c2cccs2)c1 11666447 LFWORGYGYYYICR-UHFFFAOYSA-N 325.411 1.847 0 40 EDAB CC(C)(C)c1nnc(S)n(NC2=Nc3ccccc3C2=O)c1=O 103539062 UXSQQYHZYFRQMU-UHFFFAOYSA-N 329.385 1.695 0 40 EDAB CC[C@@H](CNC(=O)c1nccnc1N)N1CCc2ccccc2C1 29911709 ODYJDWLZGGRWDN-HNNXBMFYSA-N 325.416 1.626 0 40 EDAB O=C(Cc1ccccc1)N1C[C@H](OCC2CCOCC2)[C@H]2COC[C@H]21 107201254 FCXMADXXOSPOAM-OTWHNJEPSA-N 345.439 1.898 0 40 EDAB CC(=O)N[C@H](C)C(=O)NCC(=O)Nc1ccccc1Br 24682366 SXEITVWQKIWIJK-MRVPVSSYSA-N 342.193 1.028 0 40 EDAB O=C(Nc1cccc(Cl)c1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 46778379 MPGRZQMWGWCFST-SNVBAGLBSA-N 339.804 1.899 0 40 EDAB CN1CCN(C(=O)c2ccc(CNC(=O)C[C@H]3CCCO3)cc2)CC1 46921953 JBNYYTXPMMQXHY-QGZVFWFLSA-N 345.443 1.260 0 40 EDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1-n1cncn1 47122201 ILJRPZFDYSSWBP-NSHDSACASA-N 346.391 1.192 0 40 EDAB O=C1CC[C@H](C(=O)Nc2ccn(Cc3cccc4cccnc34)n2)N1 61599538 VMDSLRQCCJOPRE-CQSZACIVSA-N 335.367 1.697 0 40 EDAB CC[C@@H](C(=O)Nc1ccccc1)N1CCN(CC(=O)NC2CC2)CC1 22847310 FNTWRHXIAKLVIY-KRWDZBQOSA-N 344.459 1.300 0 40 EDAB COCc1cc(=O)[nH]c(N2CCN(c3ccc(Cl)cc3)CC2)n1 22448353 ADCNGIWLYORPEH-UHFFFAOYSA-N 334.807 1.896 0 40 EDAB COc1cc2c(cc1CN(CC(N)=O)C[C@@H]1CCCO1)O[C@@H](C)C2 48276996 IWVZSDPSGSEWIX-WFASDCNBSA-N 334.416 1.485 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N1C[C@H](C)O[C@H](C)C1 48244141 KFXZFTNCAZCISG-TXEJJXNPSA-N 342.399 1.319 0 40 EDAB O=C(CN1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1)N1CCCCCC1 102852176 DUDQCZWUYVUDOT-KZNAEPCWSA-N 347.503 1.969 0 40 EDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(=O)[nH]c1 12858108 LAUKLVBJOFJGEC-UHFFFAOYSA-N 332.312 1.431 0 40 EDAB COC(=O)c1cc(OCC(=O)Nc2cc(C)on2)cc(C(=O)OC)c1 3475314 FTIPRBKSLMUDJK-UHFFFAOYSA-N 348.311 1.574 0 40 EDAB O=C(O)c1csc(S(=O)(=O)NCCOc2ccccc2F)c1 13307993 BVMKATXICZUSSX-UHFFFAOYSA-N 345.373 1.943 0 40 EDAB CCc1cccc(OC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)c1 24094598 BAWAKPPVYPVHPY-CQSZACIVSA-N 332.400 1.853 0 40 EDAB Cc1ccc([C@H]2CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)cc1C 63833367 XVEGYFWMPXXVOX-OAHLLOKOSA-N 327.384 1.517 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2cnc3ccccc3c2=O)C1 13629660 FIPRJRIUNWSPRX-ZDUSSCGKSA-N 343.383 1.198 0 40 EDAB Cc1sc2nc([C@@H](C)OC(=O)c3nccnc3N)[nH]c(=O)c2c1C 5174403 XAVULRADMOSTAH-SSDOTTSWSA-N 345.384 1.892 0 40 EDAB CCN(CC)c1ncc(CN2CC[C@H](NS(C)(=O)=O)C2)s1 93530723 BWLTUOZFPWAHHU-NSHDSACASA-N 332.495 1.113 0 40 EDAB CN1CCC(N(C)C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 6379312 RCRKQVPMSRNXPO-UHFFFAOYSA-N 328.416 1.722 0 40 EDAB CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccccc1Cn1cccn1 65428747 DPYSIISVARGZJM-OAHLLOKOSA-N 329.404 1.241 0 40 EDAB COc1cccc(N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)c1 65530881 UDPFHTRVVCUVHO-UHFFFAOYSA-N 342.399 1.358 0 40 EDAB O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] 65549287 PJIFWEBDNBSELU-UONOGXRCSA-N 338.408 1.275 0 40 EDAB CNC(=O)NC(=O)CCCN1CCO[C@H](c2ccc(Cl)cc2)C1 65607741 OJXTWMWENBFNBH-AWEZNQCLSA-N 339.823 1.949 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1nc(C2CC2)n(-c2ccccc2)n1 65612130 SSPOWGBGXUZLQD-GFCCVEGCSA-N 346.412 1.062 0 40 EDAB O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccc2c(c1)OCCO2 9550358 MFROPRUGPJPXHL-AWEZNQCLSA-N 343.335 1.589 0 40 EDAB C[C@H]1CN(CC(=O)NCc2ccc(Cl)cc2)CCN1C[C@@H](C)O 71864215 SVICYFUOXIEJFC-UONOGXRCSA-N 339.867 1.343 0 40 EDAB CCN1CCC(N(C)C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 71854852 YQCZAMYTNCMRER-UHFFFAOYSA-N 331.395 1.963 0 40 EDAB O=C(NCCOc1ccc(F)cc1F)[C@@H]1CCCN1C(=O)C1CC1 71882772 IPFUNYRJWIPZNY-AWEZNQCLSA-N 338.354 1.861 0 40 EDAB C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)CCN1C(=O)CCC1=O 71894288 PNAFLGOTIBGEGA-BIENJYKASA-N 344.411 1.903 0 40 EDAB Cc1nc(NC(=O)[C@H](C)N2CCN(C[C@@H](C)O)[C@H](C)C2)sc1C 71864483 PLXZSTFAGMVUCP-WZRBSPASSA-N 340.493 1.474 0 40 EDAB C[C@H]1CN(Cc2nccn2Cc2ccccc2)CCN1C[C@@H](C)O 71864473 UMYTZLRDIHHKQO-DLBZAZTESA-N 328.460 1.818 0 40 EDAB Cc1cc(N)nc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)n1 7177395 OFZCJZOFECWYRA-SNVBAGLBSA-N 343.412 1.833 0 40 EDAB CN1CCCC[C@@H]1C(=O)NCCCS(=O)(=O)Cc1ccccc1 71897868 DPFGNDINUZOJFD-MRXNPFEDSA-N 338.473 1.592 0 40 EDAB CNC(=O)c1ccc(CNC[C@H]2CCO[C@@H]2c2cnn(C)c2)cc1 83882297 AELDUHZWMMKEBR-WBVHZDCISA-N 328.416 1.647 0 40 EDAB O=C(CNC(=O)[C@H]1COc2ccc(F)cc2C1)Nc1cccnc1 90509005 DTYWQPBYHUGOEK-GFCCVEGCSA-N 329.331 1.527 0 40 EDAB CCCc1n[nH]c(=S)n1NCc1ccc2c(c1)n(C)c(=O)n2C 7601389 CTWTVUROFYHBST-UHFFFAOYSA-N 332.433 1.827 0 40 EDAB FC(F)(F)c1nnc2n1CCN(c1ncc(Br)cn1)C2 71915077 WAWARNQJXACHEB-UHFFFAOYSA-N 349.114 1.870 0 40 EDAB Cc1ccc(CCC(=O)NCC(=O)Nc2nc(C(N)=O)cs2)cc1 71911502 NWUTUYWXLNVRKE-UHFFFAOYSA-N 346.412 1.238 0 40 EDAB CCn1nc(C(=O)NCc2nnc3ccccn23)c2ccccc2c1=O 8133845 AFCYQZLJBITZOY-UHFFFAOYSA-N 348.366 1.389 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N1CC[C@H]2CCCC[C@@H]2C1 8368801 YFUQOYSTNDQPOG-ZIAGYGMSSA-N 326.400 1.830 0 40 EDAB COC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccccc1 95461798 HKWJOPLSTAITCT-CQSZACIVSA-N 335.381 1.166 0 40 EDAB CC(C)c1cc(NC(=O)CN2CCN(c3cnccn3)CC2)on1 96839891 RLZRXYXNLQORBP-UHFFFAOYSA-N 330.392 1.349 0 40 EDAB CCCNC(=O)NC(=O)CNC(C)(C)c1ccc2c(c1)OCCO2 69421412 ZXGOXLJOXBHADD-UHFFFAOYSA-N 335.404 1.518 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCC[C@H](Cn2cncn2)C1 69653140 AMNQDVKNIATMSI-GJZGRUSLSA-N 345.451 1.795 0 40 EDAB CCCC(=O)NCC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 69657518 SHVQOFCOUMQNCU-UHFFFAOYSA-N 345.443 1.125 0 40 EDAB O=C(NCc1cccnc1)c1nn(-c2ccc(Cl)cc2)nc1CO 8613483 XRIJISTUGJJKFW-UHFFFAOYSA-N 343.774 1.738 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)NCCc1c[nH]c2ccccc12 8764381 NPUCLSKUOWWXCA-UHFFFAOYSA-N 347.378 1.632 0 40 EDAB biogenic Cc1nn(CC(=O)NC[C@@H](C)Cn2ccnc2)c(=O)c2ccccc12 72292994 JEEXODYHWGYFOY-CYBMUJFWSA-N 339.399 1.354 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](n2cncn2)C1)N1CCc2ccccc2C1 72277952 VKJKVEARVHFDGN-QAPCUYQASA-N 339.443 1.888 0 40 EDAB C[C@H](O)CN(C)S(=O)(=O)c1cc(F)c(Br)cc1F 97084088 QRBPKUPAYVJQFC-LURJTMIESA-N 344.177 1.729 0 40 EDAB CC(C)n1cccc1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 97031987 KRNYTWBHEHIDHG-UHFFFAOYSA-N 341.371 1.267 0 40 EDAB CN(CC(C)(C)O)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 96005515 AFVBSNLBTMJTFP-CQSZACIVSA-N 346.493 1.200 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)[C@H](C)n1nnc2ccccc2c1=O 72404485 XHMZZEPKBBFHIK-LBPRGKRZSA-N 340.387 1.019 0 40 EDAB O=C1CC[C@H](NC(=O)NCCc2csc(-c3ccccc3)n2)CN1 84564746 ZFHAMUPPFUYNEA-ZDUSSCGKSA-N 344.440 1.930 0 40 EDAB COC(=O)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)oc1C 73738680 IDPAKBIPSFLHKE-AWEZNQCLSA-N 334.372 1.392 0 40 EDAB CSc1ncc(C(=O)NC[C@H]2CCC(=O)N2)n1-c1ccccc1 74069938 PMNSULIOPVDLDQ-LLVKDONJSA-N 330.413 1.603 0 40 EDAB O=C(C1CC1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999173 CDRBJRMBMFXUPX-HNNXBMFYSA-N 334.441 1.780 0 40 EDAB CC(C)C[C@H]1COCCN1CC(=O)NC1CCC2(CC1)OCCO2 95959504 BIUXDNIARUYRLS-INIZCTEOSA-N 340.464 1.535 0 40 EDAB COCCN1CCC(CNC(=O)c2csc(COC)n2)CC1 89414486 UGSNGVWUOSLOFT-UHFFFAOYSA-N 327.450 1.378 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCn3nc(C)nc3C2)c(Cl)c1 75105859 KTPHTMDEOIEESQ-UHFFFAOYSA-N 326.809 1.753 0 40 EDAB O=C(O)CCCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 89780765 XXCQFHINFCXRSA-UHFFFAOYSA-N 340.401 1.112 0 40 EDAB CC(C)n1cc(CN2CCCN(C(=O)c3ccc[nH]c3=O)CC2)cn1 89894030 PMPQDTFULUROHP-UHFFFAOYSA-N 343.431 1.500 0 40 EDAB CC[C@H](NC(=O)c1csnn1)[C@@H]1CN(Cc2ccccc2)CCO1 89942928 RRPROMFRDPMORY-HOCLYGCPSA-N 346.456 1.948 0 40 EDAB O=C1CN(C(=O)c2ccc(NCCC3=CCCCC3)nc2)CCN1 75610849 PUKZQHQIRUNTJS-UHFFFAOYSA-N 328.416 1.956 0 40 EDAB Cc1ccc(-c2cc(C(=O)NC[C@@](C)(O)c3cnn(C)c3)[nH]n2)cc1 76092443 GGLIYMMMMZFQRC-GOSISDBHSA-N 339.399 1.756 0 40 EDAB CC(=O)N1CCN([C@@H]2CN(Cc3sc(C)nc3C)C[C@H]2C)CC1 76055625 WRTKMOZBDHFZEN-MLGOLLRUSA-N 336.505 1.744 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@@H]1C2 306132743 LQSUKKYFXLLQKM-UONOGXRCSA-N 345.472 1.782 0 40 EDAB COc1ccc(S(=O)(=O)NCCC2CCN(C)CC2)cc1F 173088440 DXYXPKSHJVBIPC-UHFFFAOYSA-N 330.425 1.845 0 40 EDAB Cc1nc(-c2ccccn2)sc1C(=O)NCCCN1CCOCC1 31867995 KIWOEHPGTNSQJY-UHFFFAOYSA-N 346.456 1.966 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCC(O)(C(C)(C)C(=O)O)CC2)c1 554539345 ZGCWINYSPWWRCU-UHFFFAOYSA-N 341.429 1.621 0 40 EDAB COc1ccc(S(=O)(=O)N2CCNCC2)cc1Br 35577243 YPPGUMHECJWQJJ-UHFFFAOYSA-N 335.223 1.052 0 40 EDAB Cn1cccc1CNC(=O)c1c(-n2cnnn2)sc2c1CCC2 524734155 CVASOJYBYMIURX-UHFFFAOYSA-N 328.401 1.481 0 40 EDAB O=C(O)CN1C(=O)N/C(=C/c2cc(Br)cs2)C1=O 408589575 DVBYCQZMMRUOIM-FARCUNLSSA-N 331.147 1.488 0 40 EDAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3n[nH]c(C4CC4)n3)C2)n1 79487121 RKHGVUSMMTYVGU-CYBMUJFWSA-N 341.419 1.944 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC 218082487 AVRKSDQXIJUDCM-YCPHGPKFSA-N 341.429 1.104 0 40 EDAB COc1ccc(C(=O)N2CCO[C@@H](c3ccc(C(N)=O)cn3)C2)cc1 72388142 KSVARVJVTOYJNK-MRXNPFEDSA-N 341.367 1.403 0 40 EDAB O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1 35635562 SROLAUXVBLEXLH-UHFFFAOYSA-N 337.383 1.593 0 40 EDAB in-vitro O=C(c1ccco1)N1CCN(CCS(=O)(=O)c2ccccc2)CC1 30145711 KVAFHDINTCAZIH-UHFFFAOYSA-N 348.424 1.511 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)[C@H](C)N2CCc3ccccc3C2)C1 78928766 ZFCWCUIECYZSCY-WMLDXEAASA-N 345.443 1.780 0 40 EDAB O=c1c2cnc(NCc3ccccn3)nc2nc(O)n1-c1ccccc1 75165655 LZUGGZXJBIMUBX-UHFFFAOYSA-N 346.350 1.888 0 40 EDAB Nc1c(Br)cncc1S(=O)(=O)N1CCCCCC1 72210890 LXARUHXQNQNEKW-UHFFFAOYSA-N 334.239 1.991 0 40 EDAB Cc1nc(CN(C)S(=O)(=O)c2ccc(F)cc2)ncc1C(=O)O 49468477 JDDIHOHZOWQTTR-UHFFFAOYSA-N 339.348 1.443 0 40 EDAB CCc1ncc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)s1 69815153 HMUBLXYUHRMVAF-UHFFFAOYSA-N 333.461 1.787 0 40 EDAB O=C(/C=C/c1nccs1)NS(=O)(=O)c1ccc(F)cc1F 69849582 BQKFHYQOXMZBEA-ONEGZZNKSA-N 330.337 1.940 0 40 EDAB CC1(C)N=C(O)N(Cc2noc(C(F)(F)C3CCOCC3)n2)C1=O 329609098 QYKKLTIQDXZLHM-UHFFFAOYSA-N 344.318 1.623 0 40 EDAB CCCCNC(=S)NNc1ccc(S(=O)(=O)NC(C)C)cn1 40505661 IYXBAJOXLLLYOB-UHFFFAOYSA-N 345.494 1.359 0 40 EDAB CCn1cc(CN2CCCN(C(=O)c3c(C)noc3C)CC2)cn1 69521044 PMOFIPRVVQFHDH-UHFFFAOYSA-N 331.420 1.856 0 40 EDAB CNC(=O)Cc1ccccc1NC(=O)N[C@@H](C)C(=O)NC(C)(C)C 69585420 XBLAYXZHKQFVLJ-NSHDSACASA-N 334.420 1.400 0 40 EDAB c1snnc1CN1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 571185752 CYMMVGJSHIAYTD-CYBMUJFWSA-N 348.476 1.473 0 40 EDAB O=C(NCCN1CCOCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 42645927 HTIRSFSADRDCHO-UHFFFAOYSA-N 346.214 1.380 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)CCc1nnc(-c2ccn(C)n2)o1 41070382 VYZLAJXTKBMICW-GFCCVEGCSA-N 332.408 1.003 0 40 EDAB CCn1nccc1CN1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 195559171 UACUIGQYEQANPO-INIZCTEOSA-N 339.399 1.556 0 40 EDAB Cc1ccc(F)cc1C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 88213447 MRBCDKZDIPXPET-OAHLLOKOSA-N 347.434 1.903 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)NCc2nnc3n2CCC3)C12CCCC2 80655283 GRCWGCRYDJGUFZ-STQMWFEESA-N 333.436 1.761 0 40 EDAB COC(=O)Cc1csc(NC(=O)[C@@H](NC(C)=O)C2CCCC2)n1 69456601 DGYSRQSFWPZUMO-ZDUSSCGKSA-N 339.417 1.492 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccccn2)cc1F 226746471 HPUSDDMBNMRQOL-UHFFFAOYSA-N 340.332 1.573 0 40 EDAB Cc1cc2n(n1)C[C@H](CNCCS(=O)(=O)Cc1ccccc1)CN2 69453227 AVXIXAYPEAOYKW-MRXNPFEDSA-N 348.472 1.438 0 40 EDAB O=C(NC[C@@]1(O)CCSC1)[C@@H]1CCCN1C(=O)c1cccs1 82966502 PYXUTNVNHFNLJR-NHYWBVRUSA-N 340.470 1.337 0 40 EDAB Cc1ccc(N2C[C@@H](NC(=O)[C@H]3CCc4[nH]cnc4C3)CC2=O)cc1 225514946 BAPAQIOAKNCZKG-KBPBESRZSA-N 338.411 1.745 0 40 EDAB CC(C)N1C(=O)C[C@@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1=O 81805671 VANFHFQTFVDMRS-CQSZACIVSA-N 331.347 1.502 0 40 EDAB CCCCN(C)C[C@@H]1OC[C@H](NC(=O)Nc2cccs2)[C@H]1O 514288680 KICCSYAKFATIJY-SGMGOOAPSA-N 327.450 1.730 0 40 EDAB biogenic,in-vitro Cc1cccn(CC(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1=O 583621344 UASFATIIIXKISK-CVEARBPZSA-N 330.359 1.630 0 40 EDAB CCC[C@H](C(=O)OCC)S(=O)(=O)N1CCOCC(F)(F)C1 583651721 RGEFQNFQZOKDFO-SNVBAGLBSA-N 329.365 1.016 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc3c(c1)NC(=O)CS3)C2 97198885 NHVYXHHUDQAUKN-LBPRGKRZSA-N 342.424 1.981 0 40 EDAB Cc1cc(N2CCCC2)nc(CNS(=O)(=O)c2cccs2)n1 96120798 BHJOKHSSILBURL-UHFFFAOYSA-N 338.458 1.925 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)CO[C@@H](COCc1cccnc1)C2 96106148 VTOXGYMUHIRIOT-QGZVFWFLSA-N 347.459 1.558 0 40 EDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)Cc3ccsc3)[C@@H]2C1 96109428 UUBXOUJGMXYGOK-XHSDSOJGSA-N 338.473 1.485 0 40 EDAB COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@@H]21 96043424 ZOUIBISNJNHIEL-BZUAXINKSA-N 338.473 1.738 0 40 EDAB Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 96410792 AIDVRMREAPQQQQ-CYBMUJFWSA-N 327.388 1.062 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(Cc3ccsc3)C[C@@H]12 97953305 DZBHIFQAORTTFS-RBSFLKMASA-N 344.440 1.871 0 40 EDAB O=C(NCC1CC1)C1=NO[C@@]2(CCN(C(=O)c3cccs3)C2)C1 96225490 POMBGTHTJAOGFF-INIZCTEOSA-N 333.413 1.635 0 40 EDAB O=C([C@@H]1CCCN1C(=O)/C=C\c1cccnc1)N1CCSCC1 96405898 SMSKCIQIXVKVDF-YVACAVLKSA-N 331.441 1.661 0 40 EDAB CNS(=O)(=O)[C@H]1CCN(C(=O)CCCc2cc(F)ccc2F)C1 95446050 QGJLPQQKECNXBA-ZDUSSCGKSA-N 346.399 1.438 0 40 EDAB O=S(=O)(c1ccccc1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108727 OIPCQFGZLIMPLZ-NVXWUHKLSA-N 337.441 1.750 0 40 EDAB COCCO[C@@H]1CCN(S(=O)(=O)C2CC2)[C@H]1Cc1ccccc1 96261311 UHTXNHIEUWQWDG-DLBZAZTESA-N 339.457 1.827 0 40 EDAB CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)CC)C[C@@H]32)C(=O)N1CC 96261623 PRXXQDFGXZZWIF-TYNCELHUSA-N 327.450 1.087 0 40 EDAB CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)c3cnc(C)cn3)[C@H]2C1 96156987 KJXFDZFBDFULCZ-BQFCYCMXSA-N 336.395 1.832 0 40 EDAB Cn1cccc1C(=O)NC[C@]12COC[C@H]1CN(Cc1nccs1)C2 96108435 NSIUDXBCNLCAMP-DYVFJYSZSA-N 346.456 1.360 0 40 EDAB COC(=O)c1cc(Br)c(N2CCN(C)CC2)nc1C 95097590 WXAMWDMWPGSPAY-UHFFFAOYSA-N 328.210 1.691 0 40 EDAB CN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181667 GZCPICAFTRNAHG-SJORKVTESA-N 346.358 1.976 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2C[C@@H](C(=O)NCC3CC3)O[C@@H]2C1 96042893 JPWXXJLNMFIPIV-BHYGNILZSA-N 333.432 1.797 0 40 EDAB COC[C@@H]1c2c(cnn2C)CCN1S(=O)(=O)c1ccccc1C 96197728 DTIVCDNPOGVQOW-CQSZACIVSA-N 335.429 1.663 0 40 EDAB CCn1c(N2CCC[C@@H](C(=O)NC[C@H](C)O)C2)nc2ccccc21 248265512 DLBRBTCKTBGDOD-UONOGXRCSA-N 330.432 1.770 0 40 EDAB Cc1cc(CN2Cc3cccn3C[C@H](C(=O)NCC3CC3)C2)n(C)n1 248070323 XHODMJNTTMZTFG-MRXNPFEDSA-N 341.459 1.688 0 40 EDAB CN(Cc1cccnc1)C[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 585084061 LZHONXRQPZWJHI-OAHLLOKOSA-N 328.420 1.194 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H](c3cnccn3)C2)c2c(C)noc2n1 257256881 KNHGMGCSXCOVPP-AWEZNQCLSA-N 339.355 1.843 0 40 EDAB O=C(CCc1c[nH]c2ccccc12)N1C[C@@H](O)[C@H](N2CCCC2)C1 257320738 VYIUXJUYZNCRFU-QZTJIDSGSA-N 327.428 1.768 0 40 EDAB CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)CCc1cccs1 257253831 KAKRESJCOQDZAB-QGZVFWFLSA-N 346.456 1.571 0 40 EDAB Cc1cc(S(=O)(=O)Cc2nnnn2C2CC2)n(-c2ccccc2)n1 585136433 FYBOSJXRGRCWJS-UHFFFAOYSA-N 344.400 1.476 0 40 EDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCO[C@H](c2cnccn2)C1 257225562 FGTFCIPZJISUIH-HNNXBMFYSA-N 336.355 1.271 0 40 EDAB COC(=O)[C@]1(C)CN(C(=O)NC[C@H](C)CC2(C)OCCO2)C[C@H]1C 252480062 BTQIWVIWZUIACK-XJKCOSOUSA-N 342.436 1.616 0 40 EDAB Cc1cc(C[C@@H]2COCCN(C(=O)CCc3ccnn3C)C2)ncn1 257262999 LNXZBFPWMSGORK-HNNXBMFYSA-N 343.431 1.169 0 40 EDAB Cc1nc(CC(=O)N2CCOC[C@@H](Cc3ccncn3)C2)cs1 257278801 ODSOIZKLZRANPA-ZDUSSCGKSA-N 332.429 1.502 0 40 EDAB Cc1n[nH]cc1-c1cncc(C[C@H]2CCCN(S(C)(=O)=O)C2)n1 257331542 XTIBHGOMLNYQIK-GFCCVEGCSA-N 335.433 1.389 0 40 EDAB COc1ccc([C@H]2CNCCN2C(=O)CCc2cnn(C)c2C)cc1 257272769 NDUBTYUWLSLPRH-GOSISDBHSA-N 342.443 1.843 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc3c(nc2O)CCC3)n1 257298213 RKRBFGUCOBXEHP-AWEZNQCLSA-N 328.372 1.521 0 40 EDAB CCN1CCN(c2nn(-c3ccc(C)c(C)c3)nc2C(=O)O)CC1 256048427 SXCJHDQZFIOODM-UHFFFAOYSA-N 329.404 1.724 0 40 EDAB CCN1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)N(C)C)cc2)CC1 70018985 NJTCAVKITDTMCD-AWEZNQCLSA-N 332.448 1.035 0 40 EDAB CC(=O)N1C[C@@H]2CN(C(=O)CCc3ccccc3)CCN2C(C)(C)C1 253407377 WFADBCIQHYJDGP-SFHVURJKSA-N 343.471 1.773 0 40 EDAB biogenic,in-vitro Cc1nccc([C@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257277119 NWNDZYTXPUBKPW-MRXNPFEDSA-N 341.367 1.770 0 40 EDAB Cn1cc(C(=O)N2CCC3(CC2)CO[C@H](Cc2cncnc2)C3)cn1 257210678 BVRLAPWDYKRUTA-MRXNPFEDSA-N 341.415 1.464 0 40 EDAB Cn1nnc(C(=O)N2CC(Cc3ccc(Br)cc3)C2)n1 1614420408 KUCHVDMLBUWYPL-UHFFFAOYSA-N 336.193 1.287 0 40 EDAB Cc1cnccc1-c1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)s1 1615056594 URDFYOMGZDMPKS-KBPBESRZSA-N 331.441 1.865 0 40 EDAB COC1(CNC(=O)C(=O)Nc2cc(C)on2)C2CC3CC(C2)CC1C3 96123909 YDDFHLUCGBRLHS-UHFFFAOYSA-N 347.415 1.879 0 40 EDAB CN1C(=O)C2(CCOCC2)c2cc(NC(=O)C3CC(O)C3)ccc21 585106382 SIIBGNDXJUKHFC-UHFFFAOYSA-N 330.384 1.421 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)CCc2ccc3c(c2)C[C@@H](C)O3)[C@@H]1O 585285040 LLLRUYMDSIHTLN-XKHMPKOFSA-N 349.427 1.081 0 40 EDAB O=C1CCCN1C[C@@H]1CCn2nccc2CN1CC1CCOCC1 585097456 LWEVHHLBITUOAD-INIZCTEOSA-N 332.448 1.506 0 40 EDAB Cc1csc(CNC(=O)N2CCN(Cc3cc(C)on3)CC2)n1 45356522 FCPHQUHDSVPKCZ-UHFFFAOYSA-N 335.433 1.775 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cn2cccn2)cc1 54887879 ORFBZGJJRICOJI-INIZCTEOSA-N 326.400 1.624 0 40 EDAB C[C@H](C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1)N1C(=O)CCC1=O 51442852 XEZJYWWBKSFVOS-BDJLRTHQSA-N 344.367 1.087 0 40 EDAB CCCN1CC[C@@H](CNC(=O)N2CCN(Cc3cc(C)no3)CC2)C1 54509867 JRPYGTODYXUOQI-INIZCTEOSA-N 349.479 1.542 0 40 EDAB C[C@@H]1NC(C(=O)N[C@@H](C)c2ccccn2)=NN(c2ccccc2)C1=O 40553410 ISAXXCGFVFNWAG-STQMWFEESA-N 337.383 1.597 0 40 EDAB C[C@H]1Oc2ccccc2N(CC(=O)N(C)Cc2ccncc2)C1=O 40512848 DXQLJVJTRPYVDC-CYBMUJFWSA-N 325.368 1.854 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)CNc2c(F)cccc2-n2cccn2)C1 79062193 DYZDQDDWKFRVCZ-GFCCVEGCSA-N 345.378 1.147 0 40 EDAB CC[C@@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@H]1N1CCOCC1 84735972 KSDNLWNUOSUOEJ-HUUCEWRRSA-N 343.431 1.221 0 40 EDAB CN(C(=O)c1cc(Br)cnc1C1CC1)[C@H]1COC[C@@H]1O 1615039021 HTCDNWTWBGBHHJ-RYUDHWBXSA-N 341.205 1.553 0 40 EDAB CCCc1cc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)no1 1615614269 FOKGKGQEDQCPCK-UHFFFAOYSA-N 339.392 1.339 0 40 EDAB O=C(CN1CCCCCC1=O)OCC(=O)c1ccc2c(c1)OCO2 5539395 BZCVVBVBQLYINH-UHFFFAOYSA-N 333.340 1.544 0 40 EDAB Cn1ccs/c1=N\C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 13111433 MAYFAOFMXJWQBS-QINSGFPZSA-N 332.353 1.824 0 40 EDAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccncc2)n2nnnc2N1 13123694 MVDHIDVDMAXJRY-AWEZNQCLSA-N 334.343 1.391 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cc(C)ccc2C)NC(=S)N1 13684144 BCRJHLLWQLYENG-MRXNPFEDSA-N 345.468 1.955 0 40 EDAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 14210226 VOMLULHQOSRROD-UHFFFAOYSA-N 337.228 1.894 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C)cc2)cc1 15412081 HQVVHWMUZMSALS-UHFFFAOYSA-N 334.397 1.921 0 40 EDAB Cc1ccc(CC(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)cc1 19209880 XJNAWFMPKAWZEA-MRXNPFEDSA-N 336.439 1.989 0 40 EDAB COC(=O)c1ccc(CC[C@H]2C(=O)Nc3nc(N)nc(O)c32)cc1 504642213 GCIHXHRROKFHIV-SNVBAGLBSA-N 328.328 1.220 0 40 EDAB in-vitro O=C(NCc1nc(-c2cc(C3CC3)on2)no1)NC[C@H]1CCCO1 238895183 QZADXVPPRWPRRG-SNVBAGLBSA-N 333.348 1.580 0 40 EDAB CN1C(=O)CN(C2CCN(C(=O)c3noc4c3CCCC4)CC2)C1=O 828283859 JYRYOIOMBWFHOC-UHFFFAOYSA-N 346.387 1.052 0 40 EDAB O=C([C@@H]1CN(c2ncnc3ccccc23)CCO1)N1CCCCC1 1888847496 LABPHLUOROUYLE-INIZCTEOSA-N 326.400 1.848 0 40 EDAB Cc1cc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n2nc(C)cc2n1 1888854095 PMHOYONACXWMFV-OAHLLOKOSA-N 343.431 1.421 0 40 EDAB Cn1c(N2C[C@H]3CN(S(=O)(=O)C4CC4)C[C@H]3C2)nc2ccccc21 1888869664 JZKNHDPUNFPTCN-BETUJISGSA-N 346.456 1.434 0 40 EDAB COc1ccc(Br)c(C(=O)N2CCC[C@H](C(N)=O)C2)c1 37975460 AWVISFFEHGLTBL-VIFPVBQESA-N 341.205 1.795 0 40 EDAB Cc1nc(C(=O)N2CCCn3cnc(C(=O)NC(C)C)c3C2)cs1 1565554986 MVQRGAOLIMQAGI-UHFFFAOYSA-N 347.444 1.832 0 40 EDAB CC(C)NC(=O)[C@@H]1C[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@@H]2C1 1565554772 ZNZCRTWURPGHPE-XYYAHUGASA-N 338.839 1.546 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)no1 4940833 UCVZWRSDIJWUBU-VIFPVBQESA-N 335.341 1.155 0 40 EDAB CC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1 16890579 COIMIKOLUYBTPE-UHFFFAOYSA-N 344.440 1.993 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)NCCCNC(=O)OC(C)(C)C 225651702 PFOSXSJLFBSRAS-UHFFFAOYSA-N 339.392 1.039 0 40 EDAB O=C(c1cc(-c2cccnc2)on1)N1CC[C@H](Oc2ccncn2)C1 575610691 NDCIQVSYLKPWHX-ZDUSSCGKSA-N 337.339 1.820 0 40 EDAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(c2cccnc2)C(=O)C1 585150232 MDWRPQQUDFPMTH-UHFFFAOYSA-N 347.378 1.961 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(CC4(O)CCC4)CC3)nn2)n1 2298181572 IPBVROFSLHJDFJ-UHFFFAOYSA-N 328.420 1.008 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](CN)C1 50246904 LFRRZILSWZIPPW-SECBINFHSA-N 349.250 1.427 0 40 EDAB CCc1nnc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)s1 30604766 RYGVWCYXAQNCME-LLVKDONJSA-N 344.400 1.159 0 40 EDAB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C1=Cc2ccccc2CC1 40463213 AASWBCSBNMGDLT-CQSZACIVSA-N 341.454 1.422 0 40 EDAB CC(C)n1ncc2cc(NC(=O)[C@@H]3CCCN(C(N)=O)C3)cnc21 31496875 TYBJFDIDYZLSJK-LLVKDONJSA-N 330.392 1.741 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)cc1C 40527159 DFZLBPGGYBOVNQ-CYBMUJFWSA-N 326.418 1.341 0 40 EDAB CCc1cc2c(=O)n(CC(=O)N[C@@H](C(C)=O)C(C)C)cnc2s1 31757589 DGMSXTBFXXFODA-CQSZACIVSA-N 335.429 1.750 0 40 EDAB COCCn1nc(C(=O)N[C@@H]2CCSc3ccccc32)ccc1=O 32338585 LSIUZWFYNDFJLN-CYBMUJFWSA-N 345.424 1.857 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)c1ccc2c(c1)OCCCO2 32876328 DMBQZCFUUPGTQA-UHFFFAOYSA-N 328.372 1.658 0 40 EDAB NC(=S)NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 481548 NSAGLPVITJXVIW-QDIHITRGSA-N 349.415 1.627 0 40 EDAB Cc1c([C@@H](C)NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cnn1C 52578525 VDGVTSBPBPWTRU-LLVKDONJSA-N 329.404 1.784 0 40 EDAB O=S(=O)(CCn1cnc2ccccc21)NC1CCN(C2CC2)CC1 21891428 REINXUXGADNWOH-UHFFFAOYSA-N 348.472 1.583 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CCc1c(C)nn(C)c1C 102747882 AHEFIPFOLKKMTC-MGBSGCIJSA-N 333.432 1.673 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CC[C@@H]2CCCC[C@H]2C1 53757960 SZZAOBQRYQGTNJ-KBPBESRZSA-N 341.411 1.729 0 40 EDAB 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O=C(NCc1cccc(-n2ccnc2)c1)C1(C(=O)NC2CC2)CCC1 75139758 NGKGUFZJTQSLBR-UHFFFAOYSA-N 338.411 1.937 0 40 EDAB O=C(CCn1cncn1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 76022607 ORXANMPIPZQPTC-CYBMUJFWSA-N 347.806 1.633 0 40 EDAB C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc23)C[C@@H]1N1CCOCC1 76053383 BTERBUMQBVUGBV-DYVFJYSZSA-N 341.411 1.321 0 40 EDAB CN(C)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)c(Cl)c1 28207849 OCXJDNSUBSRHMR-UHFFFAOYSA-N 332.809 1.248 0 40 EDAB COc1ccc([C@@H]2NNC(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)cc1 409052268 GYSVYFKSEHLGKB-GJZGRUSLSA-N 345.786 1.823 0 40 EDAB Cn1c(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)cc2ccccc21 527561228 RFNTYTRLWBPKLL-WWGRRREGSA-N 339.399 1.581 0 40 EDAB Cn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)C(F)(F)F)cc21 408529202 HFEYEGJSULYZHP-UHFFFAOYSA-N 342.321 1.978 0 40 EDAB COC(=O)CN1CCO[C@H](COc2ccc(Br)cc2)C1 217498781 VKCQXOHNTAEYAR-ZDUSSCGKSA-N 344.205 1.702 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2ccccn2)[C@@H]1c1cccc(F)c1 72241743 RJQQVLYCMUDKFG-IRXDYDNUSA-N 343.358 1.435 0 40 EDAB C[C@@H]1Oc2c(cccc2C(=O)N[C@H]2CCCc3c2cnn3C)NC1=O 78498615 HJGCLDFEXPVUBF-GWCFXTLKSA-N 340.383 1.947 0 40 EDAB O=c1n(C[C@@H]2CCCO2)nc(C2CCNCC2)n1Cc1ccccc1 71639540 JUQCWZQGWSVPOU-KRWDZBQOSA-N 342.443 1.739 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(c4nccnc4C)CC3)nn2)n1 374138875 VZQAEKBTRDYUTJ-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB O=C(NCc1ccc(F)cc1)[C@@H](Cc1ccccc1)n1cnnn1 71782763 GEZWQMZVMLUCPJ-MRXNPFEDSA-N 325.347 1.912 0 40 EDAB CN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1F 72241540 CRVVTKKLLUFUSN-IRXDYDNUSA-N 346.358 1.976 0 40 EDAB CCOCCN1CCN(Cc2csc(-c3ncccn3)n2)CC1 69656090 DTEZHKZDEGIEDX-UHFFFAOYSA-N 333.461 1.754 0 40 EDAB NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(Br)co1 569936383 RQYPIXLLELGZBE-ZOFUNIGCSA-N 327.178 1.768 0 40 EDAB CC(C)c1nc(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)no1 69564079 MLFSYHPTWFGYFM-UHFFFAOYSA-N 328.328 1.684 0 40 EDAB C[C@H]1CN(C[C@H](O)COCCOc2ccc(F)cc2)C[C@@H](C)O1 41690184 RETOKUOVURNNNX-LZWOXQAQSA-N 327.396 1.691 0 40 EDAB C[C@@]1(C(=O)NCCCN2CCOCC2)Sc2ccccc2NC1=O 40808140 OUWFXTANFULCOF-KRWDZBQOSA-N 349.456 1.328 0 40 EDAB COc1cncc(O[C@H]2CCN(C(=O)c3ccc(OC)c(F)c3)C2)n1 225395506 QONYEGYCRLDIOI-LBPRGKRZSA-N 347.346 1.926 0 40 EDAB CC(C)C(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1 514289123 IDGSWJKNCROENS-QZTJIDSGSA-N 343.471 1.174 0 40 EDAB biogenic,in-vitro CCN(C(=O)CN1CCO[C@@H](Cn2cccn2)C1)C1=CCCCC1 69414966 IURHYCWUNGDLLV-QGZVFWFLSA-N 332.448 1.890 0 40 EDAB Cc1cn2nc(N[C@H]3CCN(C(=O)c4cc(C)on4)C3)ccc2n1 577212578 HUIRHJZMMPGDBZ-LBPRGKRZSA-N 326.360 1.661 0 40 EDAB O=C1[C@@H](N2CCS(=O)(=O)CC2)CCN1c1ccc(F)c(Cl)c1 96495507 IDVDCRXKTYWKQZ-ZDUSSCGKSA-N 346.811 1.315 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC(N2CC[C@H](O)C2)CC1 96099712 XJSZLYTUVZLUHU-LBPRGKRZSA-N 346.399 1.185 0 40 EDAB Cc1noc([C@H]2COC[C@H]3CN(S(=O)(=O)CC(C)C)C[C@H]32)n1 96065234 FLQARKUEGUUVQI-UPJWGTAASA-N 329.422 1.026 0 40 EDAB CCS(=O)(=O)N1CCn2cc(CN(C)Cc3cccnc3)nc2C1 96059557 MWEHOXUVGQTGTB-UHFFFAOYSA-N 349.460 1.075 0 40 EDAB Cn1cc(-c2ncc3c(c2C(=O)O)CCN(C[C@@H]2CCOC2)C3)cn1 96189244 ROKUHJXUEVEMPL-LBPRGKRZSA-N 342.399 1.575 0 40 EDAB O=S(=O)(C1CC1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@@H]21 96058116 VPUUJPAXHSWTOL-XHSDSOJGSA-N 338.429 1.322 0 40 EDAB O=C1NC2(CCN(S(=O)(=O)C3CC3)CC2)C[C@@H]1c1cccnc1 96199490 VTDZEUUWKTZSHY-CQSZACIVSA-N 335.429 1.012 0 40 EDAB COCCn1ccc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc21 95473112 AJAJLUBHPSWFMG-UHFFFAOYSA-N 329.400 1.592 0 40 EDAB C[C@@H](c1cccnc1)N1CCN(CC(=O)NC[C@H]2CCCO2)CC1 96424728 MYLTVVICSSOORB-DOTOQJQBSA-N 332.448 1.055 0 40 EDAB Cc1onc(N)c1S(=O)(=O)Nc1ccc(C[C@@H](C)C(=O)O)cc1 581372991 GJJFZFKIUIKDLH-MRVPVSSYSA-N 339.373 1.629 0 40 EDAB C[C@H]1OCCN(C(=O)NCc2ccccc2N2CCN(C)CC2)[C@@H]1C 95424544 XRCODHSJXVGPNB-HZPDHXFCSA-N 346.475 1.757 0 40 EDAB CCc1nc(CNC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1 582109245 GWIQEBDHSVSFIH-LBPRGKRZSA-N 332.383 1.584 0 40 EDAB Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2ccc[nH]2)cs1 96063885 MIAWKXSBLKZRDC-KGLIPLIRSA-N 330.413 1.795 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H](Cn2nccn2)C(C)C)ccc1F 238858340 KFMSCFWBPHJUJX-CQSZACIVSA-N 326.397 1.729 0 40 EDAB CNS(=O)(=O)c1csc(C(=O)NCCc2ccc(C)cc2)c1 96451312 PRPHARXJKZDHOH-UHFFFAOYSA-N 338.454 1.937 0 40 EDAB Cc1ccc(-c2nnc(S(=O)(=O)CCc3cn[nH]c3)n2C)cc1 585136600 MNEJVORLEZVJAS-UHFFFAOYSA-N 331.401 1.530 0 40 EDAB COc1ccc2nc(SCC(=O)N=[S@@](C)(=O)N(C)C)[nH]c2c1 585118785 BPMKNJSMZSSTAN-JOCHJYFZSA-N 342.446 1.765 0 40 EDAB CC[C@@H](C)NC(=O)c1cnc(C2=NC(=O)[C@](C)(C(C)C)N2)c(O)c1 585121284 KVXUEOCWYDOBIA-QGHHPUGFSA-N 332.404 1.607 0 40 EDAB COC[C@@H]1c2c(cnn2CC2CC2)CCN1C(=O)c1cnoc1C 96068211 XZZIGSDENYNJMK-OAHLLOKOSA-N 330.388 1.976 0 40 EDAB COc1ccc(CC(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OC)c(OC)c1 247946123 ZPRRCHYILNCFHS-RLFYNMQTSA-N 335.400 1.651 0 40 EDAB CCO[C@@H]1CSC2(C1)CN(S(=O)(=O)c1ccc(OC)cc1)C2 247903521 GUVVVIGJXLJJFR-ZDUSSCGKSA-N 343.470 1.980 0 40 EDAB Fc1cc(CNC[C@H]2CN(C3CC3)CCO2)ccc1-n1cncn1 69897576 FHNSKNAUMLEZCK-HNNXBMFYSA-N 331.395 1.359 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 257259068 KWSRBEQNUQVSOR-GFCCVEGCSA-N 333.392 1.757 0 40 EDAB CCc1ccc(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)cc1 257280642 OLRNMLOODJCZEV-LJQANCHMSA-N 340.427 1.800 0 40 EDAB CC1CCN(CC(=O)N2CCOC[C@@H](Cc3ccncn3)C2)CC1 257328871 XHKVGNSAYSVWCS-INIZCTEOSA-N 332.448 1.226 0 40 EDAB COc1ccc([C@H]2CN(C3CCN(C)CC3)CCN2C(C)=O)cc1 257203428 APZZUTVGGPJTEL-LJQANCHMSA-N 331.460 1.995 0 40 EDAB CC(=O)N1CCC[C@H](Cc2cncc(-c3cnc4ncccn34)n2)C1 257318225 VNAGDRVIYUFDMY-CQSZACIVSA-N 336.399 1.987 0 40 EDAB Cn1ccc(CNS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)n1 252479477 BGARBULIBRYLPP-UHFFFAOYSA-N 348.428 1.135 0 40 EDAB C[C@H](N1CCN(c2cncc(-n3cccn3)n2)CC1)C(F)(F)F 267222388 OEBWHFPVPHVMIM-NSHDSACASA-N 326.326 1.735 0 40 EDAB Cc1cc(F)c(S(=O)(=O)N[C@]2(CC(=O)O)CCOC2)cc1F 1607662928 TYJDARKZKKIOJJ-ZDUSSCGKSA-N 335.328 1.185 0 40 EDAB CCN(C1CCN(C(=O)[C@H]2Cc3ccccc32)CC1)S(C)(=O)=O 607904527 GOUXAOQCBIKDHI-INIZCTEOSA-N 336.457 1.599 0 40 EDAB CC[C@H](C)[C@@H](C(=O)Nc1nc(-c2cccs2)n[nH]1)n1cnnn1 604418584 APGUYLQNBVZPCH-WPRPVWTQSA-N 332.393 1.746 0 40 EDAB C[C@H](O)c1cn(CC(=O)N2CCc3ccccc3C(C)(C)C2)nn1 1616043564 FKDZQSQKWOLYPU-ZDUSSCGKSA-N 328.416 1.694 0 40 EDAB Cn1cnc(S(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 96025688 SVNOKCGDDKTVNH-UHFFFAOYSA-N 334.401 1.042 0 40 EDAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)[C@H]2CCOC2)C3)c1 575403919 IYRDLEBQAALIKJ-DLBZAZTESA-N 346.427 1.703 0 40 EDAB COC(=O)c1ccccc1NC(=O)N1CCC[C@@H](N2CCNC2=O)C1 585132839 JLVVDHMMEOBBQQ-GFCCVEGCSA-N 346.387 1.495 0 40 EDAB Cc1ccoc1C(=O)N1Cc2cncn2[C@H](C(=O)N2CCCO2)C1 585095998 JZJJGCGMLXRWGZ-ZDUSSCGKSA-N 330.344 1.146 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1CO[C@H]2CN(C(=O)c3ccccc3)C[C@H]12 585108615 YKOODFZQCBIPTJ-KFWWJZLASA-N 338.367 1.202 0 40 EDAB Cn1cncc1CN1CCC[C@]2(CCC(=O)N2C[C@H]2CCCO2)CC1 585099796 AWJJHGOEKNGKJV-MJGOQNOKSA-N 346.475 1.946 0 40 EDAB CCCN1CCCN(C(=O)c2ccc(OCC(N)=O)c(OC)c2)CC1 71850319 APZWWWLUTQSKOQ-UHFFFAOYSA-N 349.431 1.117 0 40 EDAB CCCOC(=O)CCNS(=O)(=O)c1ccc(OC)c(Cl)c1 72313096 CWNHYVPXQFSCPS-UHFFFAOYSA-N 335.809 1.970 0 40 EDAB Cc1cc(C[C@H]2COCCN(C(=O)c3cccc(C)n3)C2)ncn1 72388329 VOMAKDNATVKELY-OAHLLOKOSA-N 326.400 1.820 0 40 EDAB O=C1C[C@@H](NC(=O)C2(c3ccccc3)CCOCC2)CN1C1CC1 75161446 LCUGNQCVKKPUSU-OAHLLOKOSA-N 328.412 1.614 0 40 EDAB C[C@@H](C(N)=O)S(=O)(=O)Cc1ccc(OCC(F)(F)F)cc1 55213206 DFVAAPLVXPQJJF-QMMMGPOBSA-N 325.308 1.416 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H]1CCc2cc(Cl)ccc21 55738873 MPHFSLBHYJZCHT-AWEZNQCLSA-N 347.802 1.761 0 40 EDAB CNC(=O)COc1cccc(CN[C@H](C(N)=O)c2ccccc2)c1 56203295 IHSQVSFZVJUHHB-KRWDZBQOSA-N 327.384 1.128 0 40 EDAB Cc1cccc(CC(=O)N[C@]2(C)CCN(C(=O)Cn3cccn3)C2)c1 1536895467 XFHULFCWFLCKQN-LJQANCHMSA-N 340.427 1.541 0 40 EDAB COc1ccc(-c2noc(CCC(=O)NC[C@@H]3CCOCO3)n2)cc1 83952344 ZVDNJGYVRVXXCS-AWEZNQCLSA-N 347.371 1.557 0 40 EDAB C[C@H](OC(=O)c1ccnc(Cl)c1N)C(=O)NCC(F)(F)F 89478474 CSIGVAWBLMOGDO-YFKPBYRVSA-N 325.674 1.541 0 40 EDAB COCCNC(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96104139 OBYGIFXGOAVTPS-UHFFFAOYSA-N 330.406 1.015 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)cc1I 97371914 XFJSKNZZTXAGBT-OKILXGFUSA-N 405.232 2.617 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1CCCNc1ccnc(C2CC2)n1 599454209 VZRCEGOMSZSTAK-UHFFFAOYSA-N 343.431 2.411 0 40 EDAB Nc1ccn2ncc(C(=O)NC[C@H]3CC[C@H](C(F)(F)F)O3)c2c1 1615548960 USINTYDOFAQOHK-BXKDBHETSA-N 328.294 1.756 0 40 EDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NCc1ccccc1 5166044 LNQOCSSUUUJFLY-UHFFFAOYSA-N 337.335 1.396 0 40 EDAB O=C(COC(=O)c1ccccc1NCCO)NC(=O)NC1CCCC1 5278461 AEIIYVXJWYKFDB-UHFFFAOYSA-N 349.387 1.016 0 40 EDAB Cc1ncc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)n1C 12122554 FRFGFXRVXNIDON-UHFFFAOYSA-N 336.399 1.844 0 40 EDAB COC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580479 NJEFXWXMWHYUKJ-LLVKDONJSA-N 326.418 1.164 0 40 EDAB CCOc1ccc(NC(=O)C[C@@H]2SC[C@@H](C(=O)O)NC2=O)cc1 13636834 NDVYUEPRPPDNHX-RYUDHWBXSA-N 338.385 1.099 0 40 EDAB Cc1ccc2occ(CN3C[C@H]4C[C@@H](O)CN4C[C@@H]3C)c(=O)c2c1 19219817 DJUKZDXNQNBIMR-NUEKZKHPSA-N 328.412 1.741 0 40 EDAB CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(C)=O)CC2 19498852 UCJWOXOINKAWSC-AWEZNQCLSA-N 332.404 1.138 0 40 EDAB CC(=O)Nc1ccc(N2C(=O)C[C@H](N3C[C@H](C)O[C@@H](C)C3)C2=O)cc1 169310137 KKTGZRNDWLAPHX-MKBNYLNASA-N 345.399 1.386 0 40 EDAB CCOC(=O)C1=C(NC(=O)/C=C/C(=O)O)S[C@H]2CCCC[C@@H]12 5457948 HGPQYMLBMDFBDG-PSFRMBJNSA-N 325.386 1.824 0 40 EDAB CC[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 547906368 NQTMCCJNQVAQFW-NSHDSACASA-N 349.792 1.610 0 40 EDAB CN(Cc1nc(C2CC2)no1)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 583622071 JNXFGBQQBHTVQB-GJZGRUSLSA-N 346.410 1.781 0 40 EDAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CC(OCC(F)(F)F)C1 390829627 FNIIYXTXQPXFGZ-NSHDSACASA-N 342.317 1.829 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(F)cc(F)c2)cc1 2641419 NTTYAMNVCCQMEK-UHFFFAOYSA-N 340.351 1.585 0 40 EDAB CC(=O)c1cccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)c1 2644431 PWXQMQQEHPMTMP-UHFFFAOYSA-N 332.385 1.840 0 40 EDAB CCN=c1nc(N2CCN(c3ncc(CC)cn3)CC2)cc(C)[nH]1 1888864416 LMLGVRSPWFZKTE-UHFFFAOYSA-N 327.436 1.318 0 40 EDAB CCN=c1cc(C)nc(N2CCN(c3ncc(CC)cn3)CC2)[nH]1 1888864440 QZQJKAUZPAWFTI-UHFFFAOYSA-N 327.436 1.318 0 40 EDAB CNC(=O)[C@@]1(C)CN(C(=O)c2cc3cc(F)ccc3n2C)CCO1 1848351986 BZAFNOMEUNMADT-QGZVFWFLSA-N 333.363 1.295 0 40 EDAB Cc1c(CN(C)C(=O)c2c(Br)cnn2C)cnn1C 2778670 IHMRYSKXKNGPPW-UHFFFAOYSA-N 326.198 1.497 0 40 EDAB O[C@H](CNC1CCN(Cc2ccccc2)CC1)COC[C@@H]1CCCO1 6083775 IYPOWFDNHMFMOJ-UXHICEINSA-N 348.487 1.797 0 40 EDAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3cc[nH]c3)CCO2)C1=O 1565551107 AORGKMGIEGODKV-APWZRJJASA-N 339.395 1.482 0 40 EDAB CC(C)N(C)CC(=O)N1CCOC[C@H]1c1nccc(NC2CCC2)n1 1565545380 HGODFOVHHXIMLK-HNNXBMFYSA-N 347.463 1.681 0 40 EDAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c(C)c1 4370494 UJSYAKSRFOTMLD-UHFFFAOYSA-N 337.383 1.899 0 40 EDAB COc1ccccc1NC(=O)CSc1ncnc2c1nnn2C 13531786 LCHWAOFCCHLSTM-UHFFFAOYSA-N 330.373 1.498 0 40 EDAB CS(=O)(=O)NCc1noc2c1C[C@H](NCc1cccs1)CC2 2055730046 VGVKFVWHBLWQJE-SNVBAGLBSA-N 341.458 1.432 0 40 EDAB CN([C@H]1CCCN(c2ncnc3c2ccn3C)C1)S(=O)(=O)C1CC1 2086887009 OXSCAPGSMRLUJB-LBPRGKRZSA-N 349.460 1.361 0 40 EDAB O=C(NC[C@@]1(OCCO)CCOC1)c1ccc(Br)cc1 617717502 IZMNIAMCWYYCLR-AWEZNQCLSA-N 344.205 1.347 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cn1 178675841 OWUCEVOKPVZDFV-LBPRGKRZSA-N 349.334 1.149 0 40 EDAB COc1cccc([C@H](CNC(=O)c2nccnc2N)N2CCCC2)c1 22881188 ULHSYJHOZKDUCI-HNNXBMFYSA-N 341.415 1.634 0 40 EDAB COc1ccc(N2C[C@H](C(=O)NCC(C)(C)CN(C)C)CC2=O)cc1 40060216 NLKOSPUWIRKVLH-CQSZACIVSA-N 347.459 1.752 0 40 EDAB C[C@]1(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CCS(=O)(=O)C1 40466534 ZAFBZQKFQXGREX-JSGCOSHPSA-N 329.805 1.337 0 40 EDAB COC(=O)CCNS(=O)(=O)c1ccc(F)cc1Br 40446118 PBRUZPOODCZHIL-UHFFFAOYSA-N 340.170 1.430 0 40 EDAB COC[C@H](C)NC(=O)c1cc(Cl)c(-n2cnnn2)cc1OC 40549718 XTIUMDYIHVMNET-QMMMGPOBSA-N 325.756 1.089 0 40 EDAB COCCN1C(=O)C[C@@H](Nc2ccc(N3CCCCC3)cc2)C1=O 101129465 JPPTVFQHXUGVMG-MRXNPFEDSA-N 331.416 1.863 0 40 EDAB O=C(CCCNC(=O)[C@@H]1COc2ccccc2O1)Nc1ccccn1 20745221 ZOQFODNCCBRIEN-HNNXBMFYSA-N 341.367 1.757 0 40 EDAB NC(=O)C1CCN(C(=O)CCCc2nc(-c3cccs3)no2)CC1 32488236 SULHYKCWQJCJJH-UHFFFAOYSA-N 348.428 1.845 0 40 EDAB NC(=O)COc1ccccc1C(=O)N1CCC(n2ccnc2)CC1 101864285 OUSDAHPOLUKQEF-UHFFFAOYSA-N 328.372 1.225 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)NCCc2cccc(F)c2)CC1 21897942 BIQMLXAZEQYTAE-UHFFFAOYSA-N 328.409 1.156 0 40 EDAB C[C@@]12CC(=O)[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]12 102957702 QBBIKAMODROGHL-JGTCGTHISA-N 327.336 1.880 0 40 EDAB NC(=O)CSc1ccccc1NC(=O)CN1CCCCCC1=O 52956102 KQWZHALQJFVQIV-UHFFFAOYSA-N 335.429 1.605 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2nccc2C)cc1 33211784 AXHORGZBZMGOLT-INIZCTEOSA-N 326.400 1.921 0 40 EDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)COc1ccc2c(c1)OCO2 103272480 RFRGCKOMWAWBIN-BNOWGMLFSA-N 347.367 1.330 0 40 EDAB CC[C@@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 42145751 SHVRMGXXDUEXFK-MRXNPFEDSA-N 331.464 1.637 0 40 EDAB CCOC(=O)N(C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 53802046 ZHPQFCNUAJUBPD-NSHDSACASA-N 333.388 1.837 0 40 EDAB CN(C)[C@@H](CNC(=O)c1cccc(C(N)=O)c1)c1cccc(F)c1 23081694 CRQJWQMLSYDZKV-INIZCTEOSA-N 329.375 1.957 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)n1 54121504 JDVCMYBHGKCNFM-KBPBESRZSA-N 346.431 1.875 0 40 EDAB COc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 58457576 OXRTTYWIDRVKAD-GFCCVEGCSA-N 345.442 1.035 0 40 EDAB CC(=O)N[C@H](C(=O)Nc1ccc(-n2cccn2)nc1)C1CCCC1 40494230 HGUOLGRVWKZIDM-INIZCTEOSA-N 327.388 1.901 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccsc1 40462656 HLFWTRNUKZRODR-UHFFFAOYSA-N 344.440 1.612 0 40 EDAB CN(CCOc1ccccc1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 40496220 SJZRSRRYFMMMLZ-CQSZACIVSA-N 340.445 1.195 0 40 EDAB C[C@@H](C(=O)NCCCN1CCN(c2ccccc2)CC1)n1cncn1 31239245 OBNHSJZTBPQZAM-INIZCTEOSA-N 342.447 1.168 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)N[C@H]2CCCCNC2=O)c1C 40521855 CBQUTIITFGOFAP-HNNXBMFYSA-N 326.400 1.888 0 40 EDAB CCOC(=O)[C@H]1[C@@H](c2ccco2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4029788 FDERVCFEOHKBSB-ZJOBFFGXSA-N 338.356 1.446 0 40 EDAB CC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 7804053 OZPARHOTACQTCM-ZDUSSCGKSA-N 340.445 1.482 0 40 EDAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ncnc3nc[nH]c23)c(C)o1 11159392 RZDQKSUGCDFFCZ-SECBINFHSA-N 329.316 1.747 0 40 EDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(F)cc1 101846324 SQJYBAIWOXUXJB-VWPFQQQWSA-N 338.331 1.212 0 40 EDAB O=C(NCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccs1 101572087 WLJWEWANQUYKPU-AUZPSNTRSA-N 330.409 1.675 0 40 EDAB O=C(NCCC(=O)N1CCCC1)c1cc(Cl)c2c(c1)OCCO2 32716769 YUMCICVOYMISAV-UHFFFAOYSA-N 338.791 1.854 0 40 EDAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ncnn1C 89589193 MJDDCSUGBMNVMV-UHFFFAOYSA-N 343.435 1.197 0 40 EDAB CCN(CC(=O)NC)C(=O)COc1ccc(Br)cc1 32915257 XOQNWDIJOYULQI-UHFFFAOYSA-N 329.194 1.422 0 40 EDAB CCCCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 21874635 HZIBVEDGAIOLJL-CQSZACIVSA-N 340.445 1.674 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)c2cccs2)CC1 45866921 CEXQBTBGWXRIOZ-LLVKDONJSA-N 345.490 1.922 0 40 EDAB Cc1noc([C@@H]2CCCN(CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)n1 52863231 BNNOFYMOYDJDCC-PMPSAXMXSA-N 348.447 1.727 0 40 EDAB CC1(C)CC(NC(=O)c2cnc3sccn3c2=O)CC(C)(C)N1 28304611 CRJZDKQGGIMSGE-UHFFFAOYSA-N 334.445 1.795 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCC2)cc1 52412027 VPWGEVBFXJZLSQ-CYBMUJFWSA-N 340.445 1.765 0 40 EDAB COC(=O)C(C)(C)NC(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1 60347466 VVWAUDXYCDPQDU-AWEZNQCLSA-N 331.372 1.278 0 40 EDAB Cn1ncc2c(=O)n(Cc3ccn(-c4c(F)cccc4F)n3)nnc21 119704932 RDZVQBXHLHKRTE-UHFFFAOYSA-N 343.297 1.037 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)N1CCC[C@H](O)C1 100217062 HGPHJNJWOIQMGE-PCPUYYKTSA-N 328.368 1.057 0 40 EDAB C[C@H]1CCc2c(sc3nnn(CC(=O)N4CCCC4)c(=O)c23)C1 958829 NMQGVMOQTICYCO-JTQLQIEISA-N 332.429 1.600 0 40 EDAB O=C(CNC(=O)c1ccc2c(c1)NC(=O)CS2)NCc1ccco1 24180346 QENZFEOWLBADRN-UHFFFAOYSA-N 345.380 1.370 0 40 EDAB CCN(Cc1cccc(F)c1)C(=O)Cn1cnc2c(cnn2C)c1=O 24171952 ONZPFVPRZXIKOW-UHFFFAOYSA-N 343.362 1.318 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)c3ccccc32)C1 24602522 OQPUHQZTHCPMSP-ZFWWWQNUSA-N 344.411 1.938 0 40 EDAB C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CCO1 24681838 ZPBBFIHXRZTTQT-NWDGAFQWSA-N 332.356 1.016 0 40 EDAB CCCCN(C)S(=O)(=O)NCc1ccnc(N2CCCC2)c1 46799414 OJLXDGBWHRZQPX-UHFFFAOYSA-N 326.466 1.748 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N(C)c2cccc(C)c2C)cn1C 55675562 ACFSCJZUZVOFCN-UHFFFAOYSA-N 335.429 1.827 0 40 EDAB CCCn1nc(C(=O)NC[C@H](C2CC2)N(C)C)c2ccccc2c1=O 55718758 JBYXHPCEGRNYQU-MRXNPFEDSA-N 342.443 1.877 0 40 EDAB Cc1nccn1-c1cc(CNC(=O)CCN2CCSC2=O)ccn1 47013717 DMCBMIURVVNAQV-UHFFFAOYSA-N 345.428 1.751 0 40 EDAB CCOc1ccccc1C(=O)NC1CCN(CC(=O)NC2CC2)CC1 47341989 SXGLIQDXXJZPMU-UHFFFAOYSA-N 345.443 1.558 0 40 EDAB Cc1cn2nc(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)sc2n1 26701925 HGPNTLSKLFNTKF-STQMWFEESA-N 337.449 1.248 0 40 EDAB CCOc1nnc(CN2Cc3ccccc3C[C@H]2C(=O)NC)s1 58162414 BSRFNZYMLMXPML-ZDUSSCGKSA-N 332.429 1.610 0 40 EDAB C[C@H](NCC1(c2c(F)cccc2F)CCCC1)C(=O)NC(N)=O 58209502 WHAGBJNDOJWNQS-JTQLQIEISA-N 325.359 1.950 0 40 EDAB CN(CC(=O)NCCc1cc(Cl)cc(Cl)c1)S(C)(=O)=O 58289884 JUDITWHRAPSFEY-UHFFFAOYSA-N 339.244 1.544 0 40 EDAB CN(Cc1nc2ccccc2[nH]1)C(=O)Cn1nnc(-c2ccccc2)n1 58297175 HSBJPWKLXNSHPX-UHFFFAOYSA-N 347.382 1.875 0 40 EDAB O=C(NCCN1CCCCC1)NCc1ccc(N2CCOCC2)nc1 44967187 KMCXKGNSFRCBSH-UHFFFAOYSA-N 347.463 1.203 0 40 EDAB COC(=O)c1ccc(N2CCc3cc(OC)c(OC)cc3C2)nn1 44974393 LDPGZLGILYNRKL-UHFFFAOYSA-N 329.356 1.843 0 40 EDAB COc1ccc2cc([C@]3(C)NC(=O)N(CCC(N)=O)C3=O)ccc2c1 7196520 MRZVDYLHNPZUDN-SFHVURJKSA-N 341.367 1.491 0 40 EDAB COc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2F)cc1 3240241 XGOALIMVMWQAJN-UHFFFAOYSA-N 345.326 1.990 0 40 EDAB O=C(COC(=O)c1cccc(OC(F)F)c1)NC[C@@H]1CCCO1 3232857 MGQJYRCYXCPAJN-LBPRGKRZSA-N 329.299 1.740 0 40 EDAB CS(=O)(=O)Nc1ccccc1CNC(=O)c1cccc2cn[nH]c12 48248541 KSCQGWOEFNZTBG-UHFFFAOYSA-N 344.396 1.864 0 40 EDAB CCOC(Cn1cc(C(=O)Nc2ccc(=O)n(CC)c2)nn1)OCC 69384742 CQXXHPSWGVSKTQ-UHFFFAOYSA-N 349.391 1.111 0 40 EDAB CCc1ccc(S(=O)(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 8312294 RKTNLPFEPQKSGM-ZDUSSCGKSA-N 331.459 1.447 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc[n+]([O-])cc2)c1C 7681483 VARVZRDTGLABGJ-UHFFFAOYSA-N 346.339 1.481 0 40 EDAB CNC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)s/c1=N\C(C)=O 13517575 CDJGOFIXUUKQDW-PDGQHHTCSA-N 344.318 1.759 0 40 EDAB CN(CCCC(=O)NC(N)=O)Cc1ccc(Br)s1 64431421 DZFALYOTWSWOFH-UHFFFAOYSA-N 334.239 1.918 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC3)CC2)cc1 16061751 NCCUDLUPLLVQFH-UHFFFAOYSA-N 338.429 1.328 0 40 EDAB CN1CCCc2cc(NC(=O)NCC(=O)NCC(F)(F)F)ccc21 64561513 YFQCLYLGGKXVSW-UHFFFAOYSA-N 344.337 1.869 0 40 EDAB CNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1C1CC1 7798926 VHAOUEUWQFBEMZ-UHFFFAOYSA-N 332.389 1.223 0 40 EDAB O=C(Cn1c(CO)nc2ccccc21)Nc1ccc2c(c1)OCO2 5186175 VZAIAYTUJXQZSI-UHFFFAOYSA-N 325.324 1.896 0 40 EDAB O=C(COc1ccccc1/C=C1\NC(=O)NC1=O)Nc1ccccc1 13893914 MZLZBWOHZGUZMY-UVTDQMKNSA-N 337.335 1.884 0 40 EDAB COc1ccc(/C=C/C(=O)NCCCNC(=O)c2cnccn2)cc1 7871493 HIJOYMZZYFGWFL-VMPITWQZSA-N 340.383 1.435 0 40 EDAB O=C(NCCCN1CCOCC1)[C@H]1CC(=O)N(c2ccccc2F)C1 39918309 FXXZLMCKPKLPSH-AWEZNQCLSA-N 349.406 1.017 0 40 EDAB CC(C)(C)c1csc([C@@H]2CN(c3ccc4nnnn4n3)CCO2)n1 65487630 RBLSVABSMINDOF-JTQLQIEISA-N 345.432 1.851 0 40 EDAB NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)C[C@H]2C=CCC2)c1 65490771 LIXPZMYFZKSZGK-NSHDSACASA-N 333.363 1.726 0 40 EDAB COc1cccc(N2CCN(C(=O)NCCCn3cncn3)CC2)c1 65443485 RBPQWDUCVLRTHU-UHFFFAOYSA-N 344.419 1.209 0 40 EDAB Cc1[nH]sc(=N)c1C(=O)OCC(=O)NC(=O)OCc1ccccc1 14016359 JAIQPONFUYDQRQ-UHFFFAOYSA-N 349.368 1.474 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1C 65512830 SNCITIWZPVVQDA-CQSZACIVSA-N 345.486 1.633 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)N1CCCC1 65590104 ZYNANVIIOQVZDX-GFCCVEGCSA-N 346.474 1.424 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]2c2ccccc2)cc1 65591393 PLUQQAYYQMPJNG-MRXNPFEDSA-N 345.424 1.991 0 40 EDAB C[C@H](CNC(=O)CCNc1ncccn1)N1CCc2ccccc2C1 69417615 SISNPEPHRIQIEH-OAHLLOKOSA-N 339.443 1.842 0 40 EDAB COc1ccccc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 69456920 PAHQYFZEEFJUDA-HNNXBMFYSA-N 333.432 1.368 0 40 EDAB Cc1cnc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cn1 70018183 BUOIPVMEPKSTHS-KRWDZBQOSA-N 326.400 1.276 0 40 EDAB CC[C@H]1CCCCN1C(=O)CN(C)CC1CCN(CCO)CC1 70021955 FGDQZEIQIODHSG-KRWDZBQOSA-N 325.497 1.414 0 40 EDAB CC(C)CNC(=O)c1cccc(CN2CCO[C@@H](CN(C)C)C2)c1 70003994 ZCOKWZHNOUJXPV-SFHVURJKSA-N 333.476 1.835 0 40 EDAB Cc1nnc2n1CCN(CCC(=O)N[C@@H]1CCCc3ccccc31)C2 69659309 MDCHXZBHODAEHQ-QGZVFWFLSA-N 339.443 1.986 0 40 EDAB Cc1cnn(C[C@@H](C)NCC(=O)N2CCC(c3ccccc3)=N2)c1 69740218 QWTUDAYKZZVKTA-OAHLLOKOSA-N 325.416 1.806 0 40 EDAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCN([C@H](C)C(N)=O)CC1 69844633 DKOBUWZYZNUUPH-NEPJUHHUSA-N 339.823 1.125 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1ccc(-n2cccn2)c(F)c1 69897317 WGGXIGMHPVYADI-UHFFFAOYSA-N 348.359 1.437 0 40 EDAB COCCN1CCC[C@H](OC(=O)[C@@H](C(C)C)N2CCCC2=O)C1 69946460 OVWHXENIZAJEQS-GOEBONIOSA-N 326.437 1.287 0 40 EDAB Cc1cccc(OC[C@@H](O)CN[C@H]2CCCN(c3cccnn3)C2)c1 69969114 FHVZPASPPUVTOA-IRXDYDNUSA-N 342.443 1.783 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 69922048 OYWGUUFWMVEDLS-UHFFFAOYSA-N 328.416 1.401 0 40 EDAB Cc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C1 69901614 ZCTFRADTYSBIIG-CVEARBPZSA-N 330.432 1.614 0 40 EDAB Cc1c(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)nnn1-c1ccccc1 71829501 HJLMTHASASYALN-YPMHNXCESA-N 327.388 1.302 0 40 EDAB CN(C[C@H](O)COc1ccccc1)C[C@H]1CCCN1c1cccnn1 71860012 DKCBMDHVUWAAEX-SJORKVTESA-N 342.443 1.817 0 40 EDAB Cc1cnc(C(=O)OCC(=O)Nc2cccc3nsnc23)cn1 19078380 BGZKDKOBBMDMOS-UHFFFAOYSA-N 329.341 1.585 0 40 EDAB CCN(Cc1cc(=O)n(C)c(=O)n1C)[C@@H](C)c1cccc(OC)c1 71850125 RAIAATLBRJKVGV-ZDUSSCGKSA-N 331.416 1.676 0 40 EDAB Cc1cccc(C(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)n1 71839644 WJFANQASWZGRJL-UHFFFAOYSA-N 329.404 1.854 0 40 EDAB COc1ccccc1OC[C@H](O)CN1CCN(c2ccccn2)CC1 71281498 JPLHVRKEJRIYMT-MRXNPFEDSA-N 343.427 1.652 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(C[C@@H]2CCCCO2)C1 89930373 HNUDPMFWMPTRRK-CVEARBPZSA-N 348.447 1.939 0 40 EDAB CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)CS(=O)(=O)N(C)C 96010533 HNJFSHSYSGLRKV-JKSUJKDBSA-N 338.473 1.981 0 40 EDAB CCOC(=O)/C=C/c1ccc(NC(=O)CN2CSCC2=O)cc1 9690086 LIZZOMGILFBCTD-VMPITWQZSA-N 334.397 1.734 0 40 EDAB CC(=O)N1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2=O)[C@H](C)C1 89937396 SSFHELLRIIYRIZ-UHOFOFEASA-N 333.407 1.778 0 40 EDAB COCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2F)C1 71920367 YLKFFAFVDYQYEZ-JTQLQIEISA-N 343.786 1.255 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCOc3cc(F)ccc32)C1=O 71911065 DTDDYWOHHQPLSW-QGZVFWFLSA-N 347.346 1.272 0 40 EDAB Cc1c(Cl)cccc1OCC(=O)NC[C@@H]1CN(C)CCN1C 76017952 VMKVSEASRUZVIZ-CYBMUJFWSA-N 325.840 1.389 0 40 EDAB O=C(CNC1(c2noc(C3CC3)n2)CCCC1)NC(=O)NC1CC1 84137273 YXBRTUSZMSUNHN-UHFFFAOYSA-N 333.392 1.294 0 40 EDAB NC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1 72296294 QQIJDQNYMPAMSF-NSHDSACASA-N 337.228 1.926 0 40 EDAB Cc1ccc(CNS(=O)(=O)c2cnn(C)c2)c(N2CCCC2)n1 97080697 WUGZFEYAVSQRKJ-UHFFFAOYSA-N 335.433 1.202 0 40 EDAB O=c1[nH]nc(CN(Cc2ccc3c(c2)OCCO3)C2CCCC2)[nH]1 97032939 BBOXZIHNHGMMKS-UHFFFAOYSA-N 330.388 1.814 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)N[C@H](c1ccccc1)C(F)(F)F 97032181 RYGCSGYQMBAEAS-GFCCVEGCSA-N 338.351 1.688 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1nccn1CC 78898810 OOKGKWGCLYNUKL-CABCVRRESA-N 342.509 1.831 0 40 EDAB CCn1cc(Br)c(=O)c(NC(=O)[C@@H]2CCCOC2)c1 97110912 WMHCCFUWPWNHNY-SECBINFHSA-N 329.194 1.996 0 40 EDAB C[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)C[C@@H](C)O1 72313966 XBPSPIREGBNNKF-FRRDWIJNSA-N 348.465 1.147 0 40 EDAB CN(C)[C@@H](CNC(=O)CN1Cc2ccccc2C1)c1cnn(C)c1 84317385 JQXMIJRXPWEMRR-KRWDZBQOSA-N 327.432 1.155 0 40 EDAB O=C1CN(C(=O)CN2CCc3sccc3C2)c2ccncc2N1 84615042 FKLRJFDSALLATK-UHFFFAOYSA-N 328.397 1.487 0 40 EDAB NC(=O)[C@H](NCC(=O)Nc1cccc2ncccc12)c1ccccc1 95396213 UTKHTQQPCVJFHE-GOSISDBHSA-N 334.379 1.990 0 40 EDAB COc1cc(F)c(S(=O)(=O)NC[C@H]2CCO[C@@H](C)C2)cc1OC 95457562 LQBSDXHNJSBPMN-QWRGUYRKSA-N 347.408 1.936 0 40 EDAB CN(C[C@H]1CCC[C@H]1O)C(=O)Cc1ccc(N2CCCC2=O)cc1 95438525 YOBCQFULSTWYBH-NVXWUHKLSA-N 330.428 1.975 0 40 EDAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3cc(C)n(C)n3)C2)n1 79475515 DGIBQXPOZBCAOG-CQSZACIVSA-N 328.420 1.990 0 40 EDAB Cc1occc1C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 79890418 WYQNWQXDYWYREE-UHFFFAOYSA-N 333.432 1.795 0 40 EDAB O=C(C1CC1)N1C[C@@H]2[C@H](C1)[C@@H](OCc1ccccc1)CCS2(=O)=O 306125144 CIARAKSMAUKGMO-IXDOHACOSA-N 349.452 1.627 0 40 EDAB Cn1cc(CC(=O)N2CCN(c3ncccn3)CC2)c2ccccc21 35588294 JCMGEMUXDAIWKI-UHFFFAOYSA-N 335.411 1.860 0 40 EDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(CN2CCOCC2)cc1 71280353 UPXBJHYHZAIQSU-GJZGRUSLSA-N 332.400 1.814 0 40 EDAB CC(C)N(CCCNC(=O)COc1ccccc1)S(C)(=O)=O 40535289 PJTSRSMSMHEZMZ-UHFFFAOYSA-N 328.434 1.242 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1cc(Cl)c2c(c1)OCO2 40554758 MMGJAGNVEVBWJT-UHFFFAOYSA-N 342.760 1.494 0 40 EDAB COCCNc1cc([C@@H]2CN(Cc3cnn(C)c3)CCO2)nc(C)n1 72387767 WKGGTTJZBLNVLI-INIZCTEOSA-N 346.435 1.150 0 40 EDAB COc1ccc([C@H]2[C@H](C(=O)Nc3cnn(C)c3)CCC(=O)N2C)cc1 72241984 SVAJJFKMYXHMBO-WBVHZDCISA-N 342.399 1.977 0 40 EDAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(S(C)(=O)=O)C2)n1 72382697 WTLFQYVKBGZZIV-GFCCVEGCSA-N 333.417 1.673 0 40 EDAB CS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CO)C(=O)O 218195106 LGOUXUNGDMLODC-JBLDHEPKSA-N 349.202 1.023 0 40 EDAB COC(=O)CCN1CCCC[C@H]2CN(c3ncnc4[nH]cnc34)C[C@H]21 72330683 XHQZKLOUXHFUGJ-QWHCGFSZSA-N 344.419 1.207 0 40 EDAB COc1cccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)c1 224224789 ULANMSBKVDEBQU-UHFFFAOYSA-N 342.399 1.560 0 40 EDAB CCC(N)(CC)CNC(=O)[C@H]1CCO[C@@H]1c1cnn(CCOC)c1 567831198 TVFIEULSYRWXPO-LSDHHAIUSA-N 338.452 1.241 0 40 EDAB COC(=O)CCCS(=O)(=O)N1CCC(C)=C(Br)C1 281415199 IMYKVOXHAXVBSI-UHFFFAOYSA-N 340.239 1.644 0 40 EDAB O=C([C@H]1Cc2ccccc2CO1)N1CC[C@@H](Oc2cccnn2)C1 225417263 JAPXCBNBEIXAQI-HZPDHXFCSA-N 325.368 1.598 0 40 EDAB COc1ccc(CN(C(=O)C(C)C)[C@@H](C)C(=O)NCCCO)cc1 222984260 ACOUJXGOBPBZID-AWEZNQCLSA-N 336.432 1.567 0 40 EDAB CCOc1nc(C)c(NC(=O)CNC(=O)c2ccccc2)c(C)n1 224335587 BZALXTDGEPUGGZ-UHFFFAOYSA-N 328.372 1.861 0 40 EDAB CCOC(=O)Cc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 225873784 WVRSZOISFVAIEC-UHFFFAOYSA-N 332.356 1.270 0 40 EDAB CC(C)(C)n1ncc2c(O)nc(NC[C@H](N)c3ccccc3)nc21 574744734 RJKFWJBFHZCBQD-ZDUSSCGKSA-N 326.404 2.399 0 40 EDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CCOCC3)C2)n1 96219251 ZWRCIXRBWQFQPR-APWZRJJASA-N 345.443 1.087 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@@H]2O1 96043251 KPZIQZFQRVRDPS-QGTPRVQTSA-N 341.411 1.970 0 40 EDAB CS(=O)(=O)Cc1noc(CN2CCc3c(Cl)cccc3C2)n1 96441456 PAZPMAVRMCNAQX-UHFFFAOYSA-N 341.820 1.826 0 40 EDAB CN(C)CC[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)C(C)(C)C 96407392 FERIPQVBKQCLEB-CQSZACIVSA-N 332.510 1.826 0 40 EDAB Cn1nc(CC(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)c2ccccc21 333709705 IEBWJXMPSLMMFR-WMLDXEAASA-N 341.411 1.712 0 40 EDAB Cc1nn(C)c(NC(=O)CN2CCN(c3ccccn3)CC2)c1C 96418675 UHESTVGHUQGRPS-UHFFFAOYSA-N 328.420 1.193 0 40 EDAB Cn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCC2)CC3)cn1 96197451 OJZBAZUWNLXCBA-UHFFFAOYSA-N 328.420 1.162 0 40 EDAB COC[C@@H]1CCC2(CCN(C3CCCC3)CC2)N1S(C)(=O)=O 96209163 LEIPXNREALHWKH-HNNXBMFYSA-N 330.494 1.834 0 40 EDAB CO[C@H]1CCN(C(=O)c2cc(C)on2)[C@@H]2CN(Cc3ccco3)C[C@H]12 96111080 RZJUVTNWNXZUKD-UAGQMJEPSA-N 345.399 1.938 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccncc3)C[C@@H]12)N1CCCO1 96057312 VQVALRMLPNURDP-ZACQAIPSSA-N 331.416 1.330 0 40 EDAB CNC(=O)C[C@H]1C[C@H]2CN(Cc3cc(OC)cc(OC)c3)C[C@H]2O1 96220293 RQHVXCXXAMXTMV-IAOVAPTHSA-N 334.416 1.429 0 40 EDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1cc(F)cc(F)c1 95396777 BJSLPEKCSKDRIV-JTQLQIEISA-N 334.388 1.929 0 40 EDAB CN(C)c1ccnc(C(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)c1 97101790 KKNKXJQGPPTKRW-KRWDZBQOSA-N 346.818 1.932 0 40 EDAB COCCN1CC[C@@]2(COCCN(Cc3cccnc3OC)C2)C1 96201983 PCXQCTNZODVUKN-GOSISDBHSA-N 335.448 1.261 0 40 EDAB C[C@H](Cc1ccc(F)cc1)NC(=O)c1cn(C2CCNCC2)nn1 97212303 XAHXMLCKJULPMC-GFCCVEGCSA-N 331.395 1.703 0 40 EDAB COc1cc2ncn(CC(=O)Nc3ccccn3)c(=O)c2cc1OC 95479364 NHCURKITAPZCGM-UHFFFAOYSA-N 340.339 1.447 0 40 EDAB Cc1noc(C)c1C[C@H](C)NC(=O)NC[C@H](C)N1CCOC[C@@H]1C 96415559 GZBNFEALGWAZDR-AVGNSLFASA-N 338.452 1.631 0 40 EDAB CCCNC(=O)c1ccc2ccc(N3CCN(CCOC)CC3)n2c1 96155893 KFJBNCNVZQCZAJ-UHFFFAOYSA-N 344.459 1.848 0 40 EDAB C[C@H](CC(=O)N1CCN(C(=O)[C@H]2CCCCN2)CC1)c1ccccc1 96481188 DLLIACHQFJWXGY-SJLPKXTDSA-N 343.471 1.993 0 40 EDAB Cc1cccc(C)c1NCC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 96426529 ONMRVYHXAIELFT-GOSISDBHSA-N 344.503 1.954 0 40 EDAB COCC[C@H]1CCOC12CN(C(=O)COc1ccccc1OC)C2 247908040 XOPOCYAUBIHXOZ-AWEZNQCLSA-N 335.400 1.728 0 40 EDAB CCOC(=O)CN(C)C1CN(C(=O)c2cc(C)nc3onc(C)c23)C1 584908720 LARZCANUDYEXRP-UHFFFAOYSA-N 346.387 1.159 0 40 EDAB CCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1 584907976 YRGOCDCFPNWFAR-ZDUSSCGKSA-N 339.413 1.807 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2ccc(COC)cc2)CCN1C(C)C 257305604 SQSZWBBYULONJW-MRXNPFEDSA-N 333.432 1.114 0 40 EDAB CC(C)c1cc(C(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)on1 257208278 BLLQPZKSLSXKRX-ZDUSSCGKSA-N 346.387 1.767 0 40 EDAB CCCCOc1ncccc1CNC(=O)[C@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3 585090094 AGMMBXFITFIAKM-DKEWWPDHSA-N 343.427 1.791 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCO[C@@H](c3cnccn3)C2)c1 257237333 HGAGECYQAIUEMZ-MRXNPFEDSA-N 329.356 1.708 0 40 EDAB CO[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@@]12CCCO2 257275382 NPCSDHPQIUNRLA-AAEUAGOBSA-N 333.310 1.308 0 40 EDAB CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)c2cnccn2)C1 257316025 VDUMZMJICXMZCC-ZDUSSCGKSA-N 326.404 1.428 0 40 EDAB COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2ccno2)cc1 257321262 WAWOUPPLJIADFH-HNNXBMFYSA-N 329.356 1.729 0 40 EDAB COc1ccc(S(=O)(=O)NCc2cn(C3CCC3)nn2)c(C)c1 585142298 SHRVSTJAGFKXAF-UHFFFAOYSA-N 336.417 1.799 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CC1 585121813 AVRLENDIIWJOTO-ZBFHGGJFSA-N 334.416 1.922 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1cnn(C)c1I 585115664 MPIXWKDRJRWBTD-ZCFIWIBFSA-N 343.190 1.102 0 40 EDAB O=S(=O)(c1cnc(NCCCO)c(Cl)c1)N1CCC[C@@H]2C[C@H]21 1615046086 VSOHDLJFHRDOGO-ZWNOBZJWSA-N 345.852 1.702 0 40 EDAB CCn1nc(C)c(CNC(=O)[C@]2(N)CCc3c(OC)cccc32)n1 1615554034 PJFJREQRTLRAHC-KRWDZBQOSA-N 329.404 1.032 0 40 EDAB COCC[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)c2ccccc21 1615616312 XOJKDNAVSCMPPI-ZDUSSCGKSA-N 345.399 1.485 0 40 EDAB CO[C@](C)(CNC(=O)CN1C(=O)CCC1=O)c1cccc(Cl)c1 96392404 ZPFZEEZMOBTLND-MRXNPFEDSA-N 338.791 1.467 0 40 EDAB CSCC(=O)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 575403746 NNWDLFPAEMDNHF-AWEZNQCLSA-N 336.457 1.969 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 575406804 UDEYPYQNTIIPKM-XPKDYRNWSA-N 342.399 1.722 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)NCCCC(N)=O)c(Br)c1 44524493 SZZHTBAQBCAPIC-JTQLQIEISA-N 343.221 1.907 0 40 EDAB COc1cc(CNC(=O)NC2CCN(C(=O)C3CC3)CC2)ccn1 45638487 IICHCRKBKIMZHY-UHFFFAOYSA-N 332.404 1.290 0 40 EDAB CC[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2 52839903 DESKUWZTNXVYGN-ZBUUCQELSA-N 345.443 1.648 0 40 EDAB O=C(CNc1cc2c(cc1Cl)OCCCO2)N1CCOCC1 57923291 DKDCKUMPYZNLCS-UHFFFAOYSA-N 326.780 1.772 0 40 EDAB Cc1cccc(NC(=O)NCc2cccnc2N2CCN(C)CC2)n1 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EDAB COCCN1CCC(CNS(=O)(=O)c2ccc(C)s2)CC1 23127577 XHNWACUDTCPZPC-UHFFFAOYSA-N 332.491 1.693 0 40 EDAB CC(=O)N1CCC(C(=O)Nc2cnn(C[C@H]3CCCCO3)c2)CC1 390827722 JLIOPPXERKEUGO-MRXNPFEDSA-N 334.420 1.649 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@H](O)c1cc(-c2ccco2)cs1 1888909468 ZKLGUCYIRSOTCD-NSHDSACASA-N 348.380 1.307 0 40 EDAB C[C@@H](C(=O)Nc1ncccc1O)n1nc(C(F)(F)F)ccc1=O 1888913472 YJVQKKLYEHJOQJ-ZETCQYMHSA-N 328.250 1.562 0 40 EDAB CCc1ncnc(N2CCC(NS(=O)(=O)C3CC3)CC2)c1F 1889104411 PJGITHWZFFLKEX-UHFFFAOYSA-N 328.413 1.229 0 40 EDAB COC[C@H](C)NC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 29602875 MLPQFHHCKHFDFD-GDLCADMTSA-N 340.420 1.120 0 40 EDAB COc1ccccc1S(=O)(=O)N1CC[C@@H](Oc2ccccn2)C1 238966166 YYUWCOUYWWAPJT-CYBMUJFWSA-N 334.397 1.932 0 40 EDAB Cc1csc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCCC3)C2)c1 1565555285 WECDMINIUAWAQX-MGPQQGTHSA-N 334.441 1.908 0 40 EDAB CC(C)C(=O)Nc1nnc(SCC(=O)NC[C@@H]2CCCO2)s1 4328185 GLSGLKHHQJITIK-VIFPVBQESA-N 344.462 1.520 0 40 EDAB CS(=O)(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12 15783956 RNEDVGYGETVMDP-UHFFFAOYSA-N 340.405 1.689 0 40 EDAB CN(C)Cc1noc2c1C[C@H](NS(=O)(=O)c1ccccc1)CC2 2055730196 KTSNHUQQGROCHZ-GFCCVEGCSA-N 335.429 1.572 0 40 EDAB COCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)N(C)C)CC1 2055734496 CIZCDKMOZPNGBZ-UHFFFAOYSA-N 337.395 1.333 0 40 EDAB O=C(NCCNC(=O)c1ccccc1F)NC1CCN(C2CC2)CC1 50098619 QNZYJRYRUZKMCR-UHFFFAOYSA-N 348.422 1.482 0 40 EDAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(N)=O)cc1Cl 30333038 LJFWLIJTRMISTK-NSHDSACASA-N 332.809 1.377 0 40 EDAB O=C(CCNC(=O)c1cc2ccccc2oc1=O)Nc1ccncc1 58421650 USNJONFZTIEOCP-UHFFFAOYSA-N 337.335 1.947 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 58404141 SCOBAJMIKZSZNH-HUUCEWRRSA-N 338.429 1.426 0 40 EDAB Cc1cc(O)nc2nnc(SCC(=O)NCc3ccc(F)cc3)n12 4249926 DXDBVNXHAJKGBB-UHFFFAOYSA-N 347.375 1.686 0 40 EDAB COc1ccnc(N2CCN(CC3=CSC4=NCCCN34)CC2)n1 101083878 JYKUMTOGPOZPAO-UHFFFAOYSA-N 346.460 1.257 0 40 EDAB Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1ccccc1 6922275 SKVLQVXVOFRSCK-MDBPOYHNSA-N 337.379 1.907 0 40 EDAB Nc1nc(N)nc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)n1 7188685 AQYRQBFNZDWQEZ-GFCCVEGCSA-N 344.444 1.882 0 40 EDAB CC(=O)N1CCN(C(=O)COC(=O)c2ccc(C(C)C)cc2)CC1 7979889 VMLFLAQKNGMHRP-UHFFFAOYSA-N 332.400 1.658 0 40 EDAB CC(C)CNc1c(N2CCN(c3ccc(F)cc3)CC2)c(=O)c1=O 101696508 YLERSHVKNMLJIV-UHFFFAOYSA-N 331.391 1.816 0 40 EDAB COCCCNC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 32768928 SSMDZOHIWLWRKT-HNNXBMFYSA-N 334.416 1.747 0 40 EDAB C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)c1cc2ccccc2o1 8981976 VANZZWJMKGEWCV-SNVBAGLBSA-N 347.396 1.910 0 40 EDAB Nc1nnc(S[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)[nH]1 102242077 AJUDSKPTXOSREY-QMMMGPOBSA-N 325.300 1.089 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108524716 XLXAYHRJNJOOLQ-CYBMUJFWSA-N 340.449 1.252 0 40 EDAB Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N(C)Cc1ccccc1 11635239 KNSJAHCWSCVBGZ-UHFFFAOYSA-N 331.397 1.985 0 40 EDAB Cn1nnnc1SC[C@H](O)COc1ccc(Br)cc1 11620914 QIHJKUCCTDFZPI-SECBINFHSA-N 345.222 1.505 0 40 EDAB Cc1nc2nc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)nn2c(O)c1Cl 102635685 QDRBPVDAWVXMFC-HTQZYQBOSA-N 333.735 1.247 0 40 EDAB CCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(OC)cc1 21870343 OTZSGSPGQCHOJP-HNNXBMFYSA-N 342.461 1.914 0 40 EDAB COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 9737632 QIHYOSGJONTQDD-KRWDZBQOSA-N 331.372 1.032 0 40 EDAB CCCCn1nnnc1CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 21932169 VUYQNDJPFBXANV-GFCCVEGCSA-N 328.376 1.831 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCC[C@@H](C)C1 33182652 VHDAORXOFYZVCZ-GHMZBOCLSA-N 326.418 1.651 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cc(OC)c2c(c1)OCCO2 33211747 LRVYVZAAFPNWRW-GFCCVEGCSA-N 334.372 1.207 0 40 EDAB CS(=O)(=O)c1nc(C(=O)OC[C@@H]2CCCCO2)c2ccccn12 68983922 BREDWFSLWXPAHV-NSHDSACASA-N 338.385 1.464 0 40 EDAB O=C(Cc1ccccc1)NCCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 46489921 NHALSSPUKREPAM-DLBZAZTESA-N 330.428 1.905 0 40 EDAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H](n2cccn2)C1 69328452 WJYIIHAKVOKNEX-JKSUJKDBSA-N 340.431 1.753 0 40 EDAB C[C@H]1CN(C(C)(C)CNS(=O)(=O)N2CCCCCC2)C[C@H](C)O1 22413334 HGAVWHXLBNBVNC-GJZGRUSLSA-N 347.525 1.585 0 40 EDAB CCOC(=O)[C@H]1CNC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]21 110915706 GXOUNNJRUITWBL-AGIUHOORSA-N 340.420 1.559 0 40 EDAB CCONC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O 53720144 AHAQIUDTSNPHCC-UHFFFAOYSA-N 339.436 1.971 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C(=O)N3c4ccccc4[C@@H]4OCC[C@@H]4[C@@H]3[C@]23C=C[C@H]1O3 104294214 ADBRMMHYTJFVFR-ZDEIENAWSA-N 339.347 1.517 0 40 EDAB biogenic COc1ccc(C(=O)c2c3[nH]c(=O)[nH]c(=O)c3c3ccccn23)cc1 27788877 GMFARTULCPEILC-UHFFFAOYSA-N 335.319 1.709 0 40 EDAB CC(=O)N[C@@H](CC(=O)Nc1nn2cnnc2s1)c1ccccc1 8185256 QNLPHLWEUXHUJH-NSHDSACASA-N 330.373 1.392 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCN1CCC(C)CC1 54779599 GYDRMUKYFRBRGF-UHFFFAOYSA-N 339.461 1.104 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2cc(C)no2)c1 47266166 GTFKWZCPKWCYJB-CQSZACIVSA-N 349.412 1.868 0 40 EDAB NC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1 24492777 MZMZWQGLTKLWJN-SNVBAGLBSA-N 343.305 1.064 0 40 EDAB COc1cn(C)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1=O 61719721 RJYKLOTVUAVBJM-UHFFFAOYSA-N 345.374 1.495 0 40 EDAB C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)c1nc(N)nc(N(C)C)n1 25062920 TUJPCMIFEHXUMJ-SSDOTTSWSA-N 332.393 1.751 0 40 EDAB Cn1nc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)ccc1=O 25149611 WGPRSTJGRZKDNS-UHFFFAOYSA-N 341.289 1.651 0 40 EDAB C[C@@H]1CN(C(=O)CCNC(=O)c2ccc(F)cc2F)C[C@@H](C)O1 25130891 RLBMWBOOJMZLFH-GHMZBOCLSA-N 326.343 1.721 0 40 EDAB O=C1CC[C@@H](C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)CN1 55900928 JQQOUEMAXZTWPD-MRXNPFEDSA-N 349.475 1.544 0 40 EDAB CNC(=O)COc1cccc(NC(=O)NCc2cccc(O)c2)c1 56601307 DDSCDOOWJQBFHP-UHFFFAOYSA-N 329.356 1.839 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C)C[C@H]2C)n(-c2ccccc2F)n1 107580714 MXZABUPJYBMAPE-CQSZACIVSA-N 345.422 1.894 0 40 EDAB COc1ccc2c(c1)c(C(=O)CN1CCC(C(N)=O)CC1)c(C)n2C 57050803 AYNFYYWZOZJLOX-UHFFFAOYSA-N 343.427 1.875 0 40 EDAB OCCN(CCO)C[C@@H](O)CN(c1ccccc1)c1ccccc1 1753821 HTMYDRATGWUHEP-LJQANCHMSA-N 330.428 1.472 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(-c2nnnn2C)c1 12552019 IQAKTEWCADWZJU-UHFFFAOYSA-N 334.361 1.283 0 40 EDAB C[C@H](SCc1ccccc1)C(=O)NCCCNS(C)(=O)=O 44477267 HOLREQAPAZUIOX-LBPRGKRZSA-N 330.475 1.364 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NCC(=O)OCc3ccccc3)cc12 23745969 ZKQKOGITZMIGAA-UHFFFAOYSA-N 338.367 1.750 0 40 EDAB Cc1cc(C)n2ncc(C(=O)NCCC(=O)Nc3ccccn3)c2n1 44977746 LTILEVRXTYXHJJ-UHFFFAOYSA-N 338.371 1.500 0 40 EDAB CC(C)CCC(=O)N1CCN(C(=O)c2ccc(N(C)C)nc2)CC1 58328886 VVDBTVONQZQMDY-UHFFFAOYSA-N 332.448 1.868 0 40 EDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCCS(=O)(=O)c1ccccc1 58354991 YSRAVHIFLFPJJP-HUUCEWRRSA-N 333.409 1.802 0 40 EDAB O=C(Cn1cnc2ncccc2c1=O)NCCc1ccc(F)cc1 12739959 LGXSLXWHDUVYPP-UHFFFAOYSA-N 326.331 1.290 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)CN3CCOCC3)cn2)n1 48236261 RUGJUKKVKSRTBY-CQSZACIVSA-N 343.431 1.335 0 40 EDAB O=S(=O)(N1CCCCCC1)N1CCCN(C[C@@H]2CCCO2)CC1 48253995 TWMYIKNXYVVFFE-INIZCTEOSA-N 345.509 1.294 0 40 EDAB CC(=O)N1CCC(NC(=O)c2sc3ncn(C)c(=O)c3c2C)CC1 48276164 JOAQUKPEWKQXQC-UHFFFAOYSA-N 348.428 1.044 0 40 EDAB CC1(C)NC(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C1=O 12862977 GFVXVSHLJJGFIR-LBPRGKRZSA-N 326.780 1.548 0 40 EDAB O=C(NC1CC1)c1ccc(CN(c2ccc3nnnn3n2)C2CC2)cc1 12971304 LVOGOLLABCXRDI-UHFFFAOYSA-N 349.398 1.581 0 40 EDAB O=S(=O)(c1ccc(S)nc1)N1CCN(Cc2ccccc2)CC1 3888791 FQBIEZWSRLMUKG-UHFFFAOYSA-N 349.481 1.877 0 40 EDAB O=C(O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1 13261792 RZVMJLJAXUOEOW-MRXNPFEDSA-N 344.411 1.401 0 40 EDAB Cc1nc[nH]c1CSCCn1c(NN)nc2ccccc2c1=O 408712705 JMJRQMYLKIWOSJ-UHFFFAOYSA-N 330.417 1.647 0 40 EDAB CCNC(=O)CN1CCN(Cc2nc(-c3ccsc3)oc2C)CC1 69486877 MZUKPXCPNWZOEU-UHFFFAOYSA-N 348.472 1.965 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CCC(=O)NC3CCCCC3)CC2)n1 69485589 MCUJSOLNNSTOHB-CQSZACIVSA-N 349.479 1.896 0 40 EDAB CCc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)sc1C 49725949 MHNJFQBTFKYPSV-HNNXBMFYSA-N 349.500 1.998 0 40 EDAB Cn1c(=O)c(CN2C(=O)NC3(CCCC3)C2=O)nc2ccccc21 65462702 IITRZYOVBMLKPA-UHFFFAOYSA-N 326.356 1.298 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)NCCCn1cncn1)CC2 65440930 ADRPFILRILLNPS-UHFFFAOYSA-N 345.403 1.453 0 40 EDAB COCc1cc(N2CCO[C@@H](c3nc(C)cs3)C2)n2ncnc2n1 65473699 FAAAVCRCBJJREW-GFCCVEGCSA-N 346.416 1.614 0 40 EDAB NC(=O)[C@H]1CCN(Cc2cc3c(cc2Br)OCO3)C1 65493878 MJPHKNAHKMLTLG-QMMMGPOBSA-N 327.178 1.485 0 40 EDAB O=C(CCOc1ccc(F)c(Cl)c1)NC[C@@H]1CCS(=O)(=O)C1 65418950 FGVARHSXJWJAKL-JTQLQIEISA-N 349.811 1.799 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccncc2)CC1 65564403 WVGPMIYAPNQJML-OAHLLOKOSA-N 328.420 1.194 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCc1cccs1 14116617 ILLGYFPOPNTPCA-UHFFFAOYSA-N 329.381 1.110 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O 14136486 QTNHTORLVRDZLN-GOSISDBHSA-N 343.383 1.972 0 40 EDAB O=C(CNC(=O)c1cc2c(s1)CCCC2)N[C@@H]1CCCCNC1=O 65609468 PTVABTSDNBZRHD-GFCCVEGCSA-N 349.456 1.142 0 40 EDAB CCC(=O)N1CCN(C(=O)NCCO[C@H]2CCCC[C@H]2C)CC1 65611930 XNUZVSAGCJQHIH-CABCVRRESA-N 325.453 1.846 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)N2CCSCC2)C1 69581155 NDRWQPXIUAWLKQ-HOTGVXAUSA-N 347.484 1.500 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O 5568764 WTKGNBLKWYHMLL-UHFFFAOYSA-N 346.339 1.231 0 40 EDAB C[C@@H](NC(=O)[C@@H](C)N1CCN(CCO)CC1)c1ccc(Cl)cc1 69656666 VZCIDSRBZUJJDZ-ZIAGYGMSSA-N 339.867 1.516 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1nnnn1-c1ccccc1)C2=O 17652468 OLNJVFZDAOQHGX-PXAZEXFGSA-N 340.387 1.663 0 40 EDAB O=C(NCC1(c2ccc3c(c2)OCO3)CC1)N1CCC[C@@H](CO)C1 69740744 UOUCHAIGCFQFQD-CYBMUJFWSA-N 332.400 1.861 0 40 EDAB CCN(C1CCN(Cn2ncsc2=S)CC1)S(C)(=O)=O 66859432 NTFRLNCYDNJFTC-UHFFFAOYSA-N 336.508 1.377 0 40 EDAB COCc1cccc(C(=O)NS(=O)(=O)C[C@@H]2CCCCO2)c1 69702528 VDYGIRAUCYLGLR-AWEZNQCLSA-N 327.402 1.462 0 40 EDAB Cn1ccs/c1=N\C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24679096 AJLAPURQUZXFTQ-ILIMUTSYSA-N 345.380 1.296 0 40 EDAB CCONC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 17821438 SDOANZGBECGQLG-UHFFFAOYSA-N 326.418 1.933 0 40 EDAB COC(=O)c1cc(C(=O)NO[C@@H]2CCCCO2)n(-c2ccccc2)n1 69870462 RPAYBGUPZUWRRP-OAHLLOKOSA-N 345.355 1.847 0 40 EDAB C[C@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1ccccc1 7123536 HAXQNJYRCYHVLP-ZDUSSCGKSA-N 337.379 1.957 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N1CCC[C@H]1c1cccs1)CC2 69969615 YCWFTPVSMWGYMT-KBPBESRZSA-N 345.472 1.916 0 40 EDAB C[C@@H](C(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1nccn1C 68142462 RAASPJRSWLEXBD-NSHDSACASA-N 339.392 1.080 0 40 EDAB CCCNc1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1C 7425520 HDSSTCVHGQJQHX-UHFFFAOYSA-N 341.415 1.612 0 40 EDAB COCc1nc(N2CCOCC2)ncc1C(=O)NC1CCCCC1 72265516 FXBFXCVFPQHNTE-UHFFFAOYSA-N 334.420 1.522 0 40 EDAB Cc1cc(NC(=O)C(=O)NCCc2c[nH]c3ccc(F)cc23)no1 9305503 YFZUELPGKCAAMI-UHFFFAOYSA-N 330.319 1.901 0 40 EDAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)NCCCn1ccnc1 9421284 NCNAHKOZSLBLDT-UHFFFAOYSA-N 348.798 1.211 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(CCc3ccccc3)CC2)cn1 71841303 FAIHRHYGKXDOAB-MOPGFXCFSA-N 338.455 1.911 0 40 EDAB C[C@H](CNS(=O)(=O)c1cccc(Cl)c1)CN1CCN(C)CC1 71817355 VOGFTUYZSOAQNI-CYBMUJFWSA-N 345.896 1.502 0 40 EDAB C[C@@H](OC[C@@H]1CCCO1)C(=O)NCCc1nc2ccc(F)cc2n1C 71890927 WBWIWYKUQBTFTF-OCCSQVGLSA-N 349.406 1.955 0 40 EDAB COc1ccccc1CC(C)(C)NC(=O)C[C@@H]1CCS(=O)(=O)C1 71847665 BAJGZTRPCCODFC-ZDUSSCGKSA-N 339.457 1.957 0 40 EDAB CN(C)C(=O)c1ccc(F)c(NC(=O)NCCCn2cccn2)c1 83844169 NJEOVUOYYRDURI-UHFFFAOYSA-N 333.367 1.936 0 40 EDAB COCC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 71907566 GNATXXBQRCBKHZ-LLVKDONJSA-N 332.278 1.453 0 40 EDAB C[C@@H]1C(=O)[C@@H](C(=O)NCc2ccco2)C(=O)N1Cc1ccccc1 89919818 FWPSHNCHHMJDCI-DOMZBBRYSA-N 326.352 1.512 0 40 EDAB C[C@H](CNC(=O)NCc1ccc(-c2ccn[nH]2)cc1)N1CCOCC1 89901094 COWPIVGRDHXBAZ-CQSZACIVSA-N 343.431 1.597 0 40 EDAB CCOC(=O)CN(C[C@@H]1CCCO1)C(=O)c1cccc(N(C)C)c1 72297033 GHKZCLKBCFNPDN-INIZCTEOSA-N 334.416 1.937 0 40 EDAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CN1CC(n2cccn2)C1 72267701 JTCICODPIHZXGQ-LLVKDONJSA-N 330.354 1.929 0 40 EDAB Cc1cc(C)n(-c2ccc(-c3noc(CNC(=O)C4CC4)n3)cn2)n1 72274954 BREMQYLPGNISAZ-UHFFFAOYSA-N 338.371 1.960 0 40 EDAB Cc1cnc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)cn1 97082200 VWERXYGXSHYGAA-KRWDZBQOSA-N 340.427 1.672 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 97018988 IZMZVPHEVYHMHX-GJZGRUSLSA-N 345.447 1.735 0 40 EDAB CC(C)c1nc([C@@H]2CCCN(C(=O)CS(=O)(=O)C(C)C)C2)no1 75582546 WUOLFCQUPRBTQP-GFCCVEGCSA-N 343.449 1.722 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NC[C@H](C)O)CCCC2)c1 97177841 HMLAMWALUIWJNN-AWEZNQCLSA-N 339.457 1.887 0 40 EDAB CCn1cc(CN[C@@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)cn1 72300616 TVJCNNCHGLHLHN-DZGCQCFKSA-N 328.482 1.441 0 40 EDAB C[C@H]1CN(C(=O)c2cc(F)cc3[nH]cnc23)C[C@@H]1N1CCOCC1 76056828 JQRPTRKXGMWDBE-NHYWBVRUSA-N 332.379 1.495 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)Cc3csc(CC)n3)CCO2)n1 76046128 RYNGREVKVMNLIR-LBPRGKRZSA-N 349.460 1.919 0 40 EDAB CNC(=O)Cc1cccc(NC(=O)CCc2nc3ncccc3[nH]2)c1 72403570 BSMZOARPQSQKTK-UHFFFAOYSA-N 337.383 1.818 0 40 EDAB COc1ccc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)cc1 21699684 KBUIUIMNTLMHFM-AWEZNQCLSA-N 329.418 1.559 0 40 EDAB CN1C[C@@H](Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCC1=O 78295034 UMBRCIVQOQPIBY-NSHDSACASA-N 338.371 1.142 0 40 EDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)c1ccc(O)cc1 95459871 BOFUUULBXWABAW-UHFFFAOYSA-N 334.397 1.242 0 40 EDAB CCOC(=O)[C@H](C)CNS(=O)(=O)c1cc(OC)ccc1OC 84791162 SSEKCDFOIQPBHK-SNVBAGLBSA-N 331.390 1.181 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1C[C@H]1CN(c2ccccc2)C(=O)O1 95944861 GBWNTPAXWSHFIO-CYBMUJFWSA-N 329.356 1.876 0 40 EDAB CCCN(C)S(=O)(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 95967359 QRIRYEWWPNJCTG-UHFFFAOYSA-N 330.435 1.003 0 40 EDAB Cc1ccc(N2CCC(NC(=O)N(C)Cc3cnccn3)CC2)nc1 74436228 NTTOYJNPCSARJS-UHFFFAOYSA-N 340.431 1.990 0 40 EDAB CS(=O)(=O)NC[C@H]1CO[C@@H]2CN(Cc3cccc4[nH]ccc34)C[C@H]12 306127260 FTLLIAVMTYZRIY-YSVLISHTSA-N 349.456 1.164 0 40 EDAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc2cn[nH]c2c1 29370498 NQUMZVHGCKRAEG-UHFFFAOYSA-N 344.396 1.870 0 40 EDAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C(=O)O)cc2)C1=O 409065060 FXUOJRBERTXCNI-LBTPYSACSA-N 335.337 1.983 0 40 EDAB CCn1cc(CN2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)cn1 306131350 KCGNQZZDWGWEDR-QGZVFWFLSA-N 342.447 1.669 0 40 EDAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)C 217467653 BQVSIROLJAPNCC-UHFFFAOYSA-N 330.406 1.520 0 40 EDAB Cn1cc(CCCNC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)cn1 77661149 YAVUFDVUDURHRY-INIZCTEOSA-N 349.479 1.153 0 40 EDAB CCOC(=O)c1cc(N)ccc1Sc1nnc(C(F)(F)F)n1N 78406612 IGQTYCYMKGZVEX-UHFFFAOYSA-N 347.322 1.921 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1F 72241618 CMYADKCALXYLPW-DLBZAZTESA-N 343.358 1.435 0 40 EDAB O=C(NCCCc1nnc2ccccn12)c1[nH]ncc1Br 76985213 GFFWAGROISIMFI-UHFFFAOYSA-N 349.192 1.578 0 40 EDAB Cn1c(=O)cc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 72404648 OMCFHHQZVYZJGN-UHFFFAOYSA-N 348.406 1.896 0 40 EDAB O=C(CC[C@H]1NC(=O)NC1=O)N[C@H](c1ccccc1)c1cccs1 40476606 OUWPXDKNURKTCZ-IUODEOHRSA-N 343.408 1.942 0 40 EDAB C[C@@H](NS(C)(=O)=O)C(=O)NC(C)(C)c1ccc(F)cc1Cl 81402202 PCTLGLLYLGJDOP-MRVPVSSYSA-N 336.816 1.768 0 40 EDAB Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@@H]3CN(C)CCO3)cc2)n1 85293895 BITUURYSCNFCOQ-QAPCUYQASA-N 342.443 1.997 0 40 EDAB C[C@H](NC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)C(C)(C)C 87133635 YUSQJGPWUQEQBY-CABCVRRESA-N 338.496 1.759 0 40 EDAB CO[C@@H]1CC[C@@H](NC(=O)N2CCC(CN3CCN(C)CC3)CC2)C1 192209046 UMLFOOLMVSCZCD-IAGOWNOFSA-N 338.496 1.223 0 40 EDAB Cc1ccc([C@](C)(O)CNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)o1 81834385 BKFJHORMQYAEJJ-GOSISDBHSA-N 347.415 1.915 0 40 EDAB Cc1cc(C)c(N2CC[C@@H](N3CCC(NC(N)=O)CC3)C2=O)c(C)c1 190654093 CXSWLZINKCALNJ-MRXNPFEDSA-N 344.459 1.850 0 40 EDAB CN([C@@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2)C1)S(C)(=O)=O 87332928 FJKSSINCDVZSQR-GFCCVEGCSA-N 346.399 1.390 0 40 EDAB O=C(NCc1cccs1)c1coc(NC(=O)c2cnccn2)n1 75157967 UZHGNOWAEWNHPQ-UHFFFAOYSA-N 329.341 1.708 0 40 EDAB COCCN(C)C[C@H]1CCCN1C(=O)c1sc2nccn2c1C 195547458 GNKGAMJPOCMQML-CYBMUJFWSA-N 336.461 1.887 0 40 EDAB C[C@@H]1CN(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C[C@@H](C)O1 195528639 HJLLRWIZYNEJAF-OAGGEKHMSA-N 345.443 1.265 0 40 EDAB COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccccc3C)C[C@H]2C1 96080938 AFMBRHIHIKEHNO-IRXDYDNUSA-N 330.428 1.838 0 40 EDAB CN(Cc1cn2c(n1)CN(C[C@@H]1CCOC1)CC2)Cc1ccco1 96197475 RSMDXPSXKDHCJZ-HNNXBMFYSA-N 330.432 1.960 0 40 EDAB O=C(c1cscn1)N1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]21 96080488 QMTBNSXGJMAPQY-SMDDNHRTSA-N 349.437 1.288 0 40 EDAB O=C(c1ccccc1F)N1C[C@@H]2OCCN(C[C@@H]3CCCO3)[C@@H]2C1 96246497 KOSKZNNHXCCDDP-XKQJLSEDSA-N 334.391 1.530 0 40 EDAB COc1c(Br)c(C(=O)Nc2nnc(C)s2)nn1C 96181018 NJQTWLAUXCIMFC-UHFFFAOYSA-N 332.183 1.603 0 40 EDAB Cn1cc(CN2CCC[C@]3(COCCN(c4cccnc4)C3)C2)cn1 96049546 NUTCNCMMTXWQJM-IBGZPJMESA-N 341.459 1.934 0 40 EDAB c1cnc(N2CCC[C@@]3(CN(CC4CCOCC4)CCO3)C2)cn1 96049174 ADIGDUAVZNVRDR-GOSISDBHSA-N 332.448 1.574 0 40 EDAB O=C(Cc1c[nH]c2cnccc12)N[C@H]1C[C@H](NCCO)C12CCC2 1078702987 JBUDMIQADORVIB-HOTGVXAUSA-N 328.416 1.115 0 40 EDAB Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)c1ccc[nH]1 97664331 WWDGYNSIDSBUGM-XNTDXEJSSA-N 337.339 1.734 0 40 EDAB Cc1c(C(=O)N2CC[C@H](O)C2)sc2nc3n(c(=O)c12)CCCCC3 96449219 FHZNSLOYNMOTMW-NSHDSACASA-N 347.440 1.700 0 40 EDAB C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@@H]1CCc2ccccc21 97235083 NPULDOLSYPFGTL-QANKJYHBSA-N 344.455 1.888 0 40 EDAB COc1ccc(CN2CCN(Cn3nc(C)ccc3=O)CC2)cc1F 96403707 JKCTYFHZYIWTLZ-UHFFFAOYSA-N 346.406 1.475 0 40 EDAB CNS(=O)(=O)[C@H]1CCN(Cc2cccc(Br)c2C)C1 90565330 JZHQJXMPDXDMQH-LBPRGKRZSA-N 347.278 1.881 0 40 EDAB CS(=O)(=O)N1CCOCC2(CCN(c3nccs3)CC2)C1 96078273 CDPWFLCPSQLLNJ-UHFFFAOYSA-N 331.463 1.022 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)C2 97198128 VYXNBJABILHRKN-HUUCEWRRSA-N 338.411 1.676 0 40 EDAB O=C(C1CCOCC1)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 247838780 DSJAUPKHBITNTF-CQSZACIVSA-N 334.441 1.974 0 40 EDAB COC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 242581617 NZKHHVONYHOADD-UTUOFQBUSA-N 334.235 1.303 0 40 EDAB Cn1nnnc1N1CCN(Cc2ccc(Br)cc2)CC1 532498217 ULXYMMXPLAALNW-UHFFFAOYSA-N 337.225 1.295 0 40 EDAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)CCc1cccs1 257253830 KAKRESJCOQDZAB-KRWDZBQOSA-N 346.456 1.571 0 40 EDAB C1=CO[C@H](C2N[C@H]([C@H]3CCC=CO3)N[C@H]([C@H]3CCC=CO3)N2)CC1 255188719 LDQSSOXKHWNDPH-MAONVTDJSA-N 333.432 1.825 0 40 EDAB CC(C)[C@@H](CNC(=O)c1cc(-c2cccnc2)on1)N1CCOCC1 40548485 ZQCLIHKMTUHSTE-MRXNPFEDSA-N 344.415 1.823 0 40 EDAB O=C(NCCc1ccsc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 40512874 MGLRMTOBJKVVMJ-CQSZACIVSA-N 329.425 1.851 0 40 EDAB COc1cc(F)c(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)cc1OC 40501677 HHXKKPJJSHFPKV-ZJUUUORDSA-N 333.381 1.641 0 40 EDAB O=C1COc2ccccc2N1CCC(=O)N1CCO[C@H]2CCCC[C@H]21 40553902 YBXRFQOXMNZHQV-ZBFHGGJFSA-N 344.411 1.972 0 40 EDAB O=C(N[C@@H]1CCCNC1=O)c1ccnc(Cc2ccc(F)cc2)c1 257228841 FVMQBAZAYLHSLN-MRXNPFEDSA-N 327.359 1.820 0 40 EDAB CCOCCC(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 585127873 LLCGYPBHPZQFDP-QHCPKHFHSA-N 341.433 1.766 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ns[nH]c1=O 585120973 APEBPWFFQBSVCC-GFCCVEGCSA-N 332.429 1.568 0 40 EDAB CCOc1cccc(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 583618187 LIFGWLIMHHLBMG-SFHVURJKSA-N 344.415 1.991 0 40 EDAB C[C@H]1CCO[C@H]1C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 583615393 LLORZJRKEVSKPO-RMRHIDDWSA-N 336.436 1.530 0 40 EDAB COC[C@]1(C(=O)OC)CCCCN1S(=O)(=O)c1cccc(F)c1 585129233 CFTSPMPFVJOSOW-HNNXBMFYSA-N 345.392 1.559 0 40 EDAB O=C([C@H](O)Cc1cccc(C(F)(F)F)c1)N1CC[C@@]2(CCNC2)C1 585136933 ZDFSYLSERDFONB-GDBMZVCRSA-N 342.361 1.821 0 40 EDAB Cc1c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)CN(C)C)cnn1C 585115035 JRUFHOLOVBKUKE-OCCSQVGLSA-N 328.482 1.469 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1cnn(C)c1 257250334 JMCQLOADCOVDDZ-MRXNPFEDSA-N 342.399 1.474 0 40 EDAB Cn1ncc(C2CC2)c1C(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2 1615546941 QAQFVDYOHZCMAQ-ZIAGYGMSSA-N 328.338 1.569 0 40 EDAB CN(C)c1ccc(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)cc1 1615627161 DJCLZPRJTSCWJD-AWEZNQCLSA-N 325.434 1.036 0 40 EDAB CCc1noc([C@H](C)N2CCN(CCn3ccccc3=O)CC2)n1 591886395 DXJANSTXJQFSRO-AWEZNQCLSA-N 331.420 1.173 0 40 EDAB CC(C)OCC(=O)N1CC[C@@H](Nc2nccc(C(F)(F)F)n2)C1 1095019319 ULHATNCDZGDKHP-SNVBAGLBSA-N 332.326 1.933 0 40 EDAB O=S(=O)(c1cccc(N2CCC(O)CC2)n1)N1CCC[C@H]2C[C@@H]21 1615053455 UZASLZKNXBBILZ-JSGCOSHPSA-N 337.445 1.216 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)NC2(c3ccccc3F)CC2)cc1 390833809 NIVBKRKGLFWBIU-UHFFFAOYSA-N 334.372 1.892 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 575405448 SMWBDORXGMGXKS-HZPDHXFCSA-N 332.400 1.395 0 40 EDAB CN1C[C@@H](COCc2ccncc2)CC12CN(Cc1cn[nH]c1)C2 585093818 HOOAWFIUEDXYEO-INIZCTEOSA-N 327.432 1.528 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)COc1ccccc1F 585287685 APLXCORGTILINZ-XPKDYRNWSA-N 327.352 1.092 0 40 EDAB CCCCC(=O)N1Cc2cncn2[C@@H](C(=O)NCc2ccco2)C1 585096141 UKFDVCLQAYTWHL-OAHLLOKOSA-N 330.388 1.866 0 40 EDAB O=C(c1ccncc1)N1CCOC[C@](O)(COc2ccccc2)C1 585269389 RNOCEEVBGKEAOW-SFHVURJKSA-N 328.368 1.364 0 40 EDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc2ccccc12 45807183 FAWKWLSPOYQNGH-INIZCTEOSA-N 346.452 1.575 0 40 EDAB O=C(NCCNc1ncccn1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 47057670 PFVQLKDDIYUMOP-HUUCEWRRSA-N 349.435 1.258 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@@H](C(N)=O)C1 52550721 MNCNOCBJFRXZEB-NVXWUHKLSA-N 341.411 1.675 0 40 EDAB CC(=O)N[C@H](CCC(N)=O)C(=O)N(C)c1ccc(C(C)(C)C)cc1 75136823 OXHWNAJKZNDVDI-OAHLLOKOSA-N 333.432 1.717 0 40 EDAB COc1ccc(/C=C/C(=O)N2CCOC[C@@H]2C[C@@H](C)O)c(OC)c1 95944619 OUWIJHTUESCNPP-LGVMCUBASA-N 335.400 1.715 0 40 EDAB O=C(c1c(Cl)nc2ccccn12)N(Cc1ccccc1)Cc1ccccc1 97371899 AHAXPLVMZNGELL-ZDUSSCGKSA-N 375.859 4.830 0 40 EDAB CN(Cc1ccccc1)C(=O)CCNC(=O)[C@@H]1CC12CCOCC2 98018436 PDVHQWDLZKHNMZ-INIZCTEOSA-N 330.428 1.968 0 40 EDAB O=S1(=O)CCC[C@H](NS(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)C1 1614994080 AALMMXGSANHGDF-MJBXVCDLSA-N 329.443 1.039 0 40 EDAB CCn1c(SC)nnc1[C@@H]1CCCN1C(=O)N1CCOCC1 5001567 MCGOIUQEONAZIM-NSHDSACASA-N 325.438 1.609 0 40 EDAB O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1ccccn1)C2)NC[C@@H]1CCCO1 12114632 GHPILHUAJPAVBH-IJOZJFQKSA-N 345.443 1.191 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC12CC3CC(CC(C3)C1)C2 14183234 BYHXVNSEFRISIM-UHFFFAOYSA-N 345.443 1.637 0 40 EDAB O=C(C1CC1)N1CCC(O)(Cn2nc(-c3ccco3)ccc2=O)CC1 19342538 DOGSIZQQWXDFLI-UHFFFAOYSA-N 343.383 1.267 0 40 EDAB COc1cc(C(=O)OCCN2CCN(C)CC2)cc(OC)c1OC 19366999 FCOGHULDVQFFOT-UHFFFAOYSA-N 338.404 1.117 0 40 EDAB c1ccc(-c2cc(CNCCc3cnccn3)c3nnnn3c2)cc1 19374031 RKCINQKWVOUJAQ-UHFFFAOYSA-N 331.383 1.914 0 40 EDAB CCN(C(=O)Cn1nnc(-c2ccccc2)n1)C1CCN(C)CC1 19657643 XOQADAMFJIUGHQ-UHFFFAOYSA-N 328.420 1.283 0 40 EDAB CC[C@@H](C)S(=O)(=O)N1CCC(c2ccc(C(N)=O)c(N)n2)CC1 19765819 CPEPPGKCCCBCCE-SNVBAGLBSA-N 340.449 1.070 0 40 EDAB N#CCOc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 8477214 HHHBYBOWLSGYJA-RVDMUPIBSA-N 339.351 1.993 0 40 EDAB CC(C)(C)C(=O)NCC(=O)N1CCC(c2nncn2C2CC2)CC1 600252529 BWOSKOPKPXCESO-UHFFFAOYSA-N 333.436 1.481 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)C(O)(CC(=O)O)CC(=O)O)C2 225454477 OAWJOZQLMVETKE-WMFXKJRFSA-N 328.361 1.425 0 40 EDAB biogenic,in-vitro COc1ccnc(N2C[C@@H]3CN(C(=O)C4CC(F)(F)C4)C[C@H]3C2)n1 1888834295 XGARJCRURAWDLH-RYUDHWBXSA-N 338.358 1.425 0 40 EDAB Cc1nc(N2CCN(c3ncnc(C4CC4)c3F)CC2)nc(O)c1F 1888842850 OVYRGJWUSCJWJG-UHFFFAOYSA-N 348.357 1.763 0 40 EDAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)N2CCOCC2)nn1 1888856504 FJJYAUJKCKXWGQ-YIONKMFJSA-N 335.408 1.045 0 40 EDAB CSc1nc2c(c(N3CCN(Cc4noc(C)n4)CC3)n1)CCC2 1888860350 GPXZJNLEEVEUGN-UHFFFAOYSA-N 346.460 1.701 0 40 EDAB O=S(=O)(NC1CCN(c2nc(C3CC3)ns2)CC1)C1CC1 1889108844 LCPGFZXJIPSYHL-UHFFFAOYSA-N 328.463 1.466 0 40 EDAB COc1ccc(C(=O)N2CCN(c3nccc(OC)n3)CC2)cc1 29526507 GEMJZJQUELTYJN-UHFFFAOYSA-N 328.372 1.456 0 40 EDAB O=C(c1ccccn1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037840221 JJZIBGDCFQPKCU-IBGZPJMESA-N 337.379 1.730 0 40 EDAB Cc1cc(N2CCN(Cc3noc(C)n3)CC2)nc(N2CCCC2)n1 2087124883 YDMNCWXBOLHUIQ-UHFFFAOYSA-N 343.435 1.399 0 40 EDAB CN(C)CC(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 1565542493 ICRWWWZMCARBGL-INIZCTEOSA-N 328.416 1.223 0 40 EDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccnc1 5272721 OSNFCIUSUDLXND-UHFFFAOYSA-N 331.353 1.255 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2cc(C3CC3)on2)C1 2055771707 RUDLBZSGTFEIOF-QGZVFWFLSA-N 343.387 1.126 0 40 EDAB CCOC[C@@H]1CN(C(=O)c2cc(C(C)=O)[nH]n2)Cc2cn(C)nc21 2055751297 GMLHVFUUWZTGKK-LBPRGKRZSA-N 331.376 1.122 0 40 EDAB O=c1ccc(C2CC2)nn1C1CCN(c2ccc3nncn3n2)CC1 1775966018 PBCINOURQNLKDM-UHFFFAOYSA-N 337.387 1.400 0 40 EDAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)NC3CC3)C2)cc1 42384762 SDEAVZCLTLDVHW-GFCCVEGCSA-N 330.388 1.308 0 40 EDAB OC1(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)CCOCC1 1252962128 KPRXQHVAVIVWJP-UHFFFAOYSA-N 346.353 1.159 0 40 EDAB CSc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)c1ccco1 75156279 HESFEADPPLJJNT-MRXNPFEDSA-N 334.397 1.964 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(N)=O)nn2)n1 75163916 CZGZGHODLULDGP-UHFFFAOYSA-N 336.355 1.630 0 40 EDAB CC(=O)N[C@@H](C)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 40039395 ZMRDZCNLHUGSOP-NSHDSACASA-N 329.356 1.673 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1cc(OC)c2c(c1)OCCO2 61986209 LHXBAIRIVSGNCY-GFCCVEGCSA-N 336.388 1.357 0 40 EDAB CC(=O)N[C@H](C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)C(C)C 106076692 RSRWBXYKMWQXFP-DYVFJYSZSA-N 348.447 1.084 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N(C)c2ccccc21 24729060 SMZNPGGIBPRDGK-KGLIPLIRSA-N 332.400 1.841 0 40 EDAB CN(C)C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 3284079 HWQNXDMHBPXKLI-AWEZNQCLSA-N 344.367 1.252 0 40 EDAB COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C 106183824 JSACHMUIUCFYPT-UWVGGRQHSA-N 347.820 1.925 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1 24842702 JZOHJDGMNAKYKZ-LBPRGKRZSA-N 328.368 1.943 0 40 EDAB Cc1cccc(-c2nnc(SCc3nc(C)no3)n2CC(N)=O)c1 25061723 XVCCDMDJQSICTK-UHFFFAOYSA-N 344.400 1.723 0 40 EDAB CCN(Cc1nc(-c2ccsc2)no1)[C@H]1CCS(=O)(=O)C1 78720292 ZLNIRAPUEPERHE-NSHDSACASA-N 327.431 1.807 0 40 EDAB CON(C)C[C@@H](O)Cn1cc(NC(=O)Nc2ccc(C)cc2)cn1 75143652 MOBPYNXGENMQCS-OAHLLOKOSA-N 333.392 1.690 0 40 EDAB Cc1nc(C)c(CNC(=O)NC[C@@H](c2cnn(C)c2)N(C)C)s1 78942323 PQUWVTIECAZQCG-ZDUSSCGKSA-N 336.465 1.596 0 40 EDAB C[C@]1(C(=O)N2CCOCC2)CC1(Br)Br 2771474 JTSRXHNLCJYQRZ-MRVPVSSYSA-N 327.016 1.741 0 40 EDAB C[C@H](C(=O)OCC(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O 3263312 QDEZMCUDSJGPDC-GFCCVEGCSA-N 344.367 1.227 0 40 EDAB COc1ccccc1S(=O)(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 56037351 WEWMPYDABXAXFZ-GFCCVEGCSA-N 345.442 1.035 0 40 EDAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 3318490 RWVCJLURUIHSBT-UHFFFAOYSA-N 342.307 1.310 0 40 EDAB O=C(O)CCN1C(=O)S[C@@H](CC(=O)Nc2nccs2)C1=O 1889463 XOPGAFXAALPEMU-LURJTMIESA-N 329.359 1.010 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1 7644942 GGJKQHVZBQSIKO-UWVGGRQHSA-N 343.221 1.857 0 40 EDAB O=C(c1nnc2sc(-c3cccc(F)c3)nn12)N1CCOCC1 57354662 SOYQEYWATWZKJZ-UHFFFAOYSA-N 333.348 1.464 0 40 EDAB C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 8150673 IGUUPTGILIGYPB-VXGBXAGGSA-N 344.408 1.082 0 40 EDAB C[C@@H]1CN(C[C@@H]2CCCN2CC(=O)NCc2ccccc2)C[C@@H](C)O1 58174908 BTPCWLLZRNKUMB-LMMKCTJWSA-N 345.487 1.876 0 40 EDAB COCCN1C(=O)[C@H](N2CSCC2=O)[C@H]1c1ccc(Cl)cc1 58154877 IOHUXUPTSZQSKX-ZIAGYGMSSA-N 340.832 1.771 0 40 EDAB O=C(COc1coc(CN2CCCCC2)cc1=O)NCc1ccco1 44893599 MIFWEVDPIRNJLN-UHFFFAOYSA-N 346.383 1.914 0 40 EDAB CNC(=O)NC(=O)CNc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C 58282740 IMFLRKZYNOLVER-ZDUSSCGKSA-N 346.431 1.877 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)NC[C@@H](C)N2CCOCC2)n1 44954611 JEMDUXUDCNCOIQ-CZUORRHYSA-N 337.468 1.156 0 40 EDAB CC(C)Oc1cccc([C@H](C)NC(=O)Cn2nc(O)ccc2=O)c1 44942132 FTSXDAPJGWVEMR-LBPRGKRZSA-N 331.372 1.614 0 40 EDAB c1cnn(-c2cncc(NC[C@@]3(N4CCOCC4)CCSC3)n2)c1 44975882 VGOQPAVONMIPHH-INIZCTEOSA-N 346.460 1.282 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@H]1CN1CCCC1 58368151 JUQDUAIYQXURST-KRWDZBQOSA-N 340.431 1.292 0 40 EDAB CN1CCN(Cc2ccccc2CNC(=O)COCC2CC2)CC1 58390834 BXBXDZUOVQHJIU-UHFFFAOYSA-N 331.460 1.477 0 40 EDAB CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)[C@@H]1CCCO1 58355853 MTBIFBUXYXTTJG-HNNXBMFYSA-N 341.429 1.496 0 40 EDAB CN(C[C@H]1CCCO1)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 58312957 QYCWVDFLYMIQER-GFCCVEGCSA-N 341.367 1.780 0 40 EDAB COCCCN(CCOC)C(=O)[C@@H](c1ccccc1)n1cccn1 58380057 DBWGILAEHFYRDE-QGZVFWFLSA-N 331.416 1.984 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)c(C)s1 28325797 IHKWVRZTXAVQHL-LBPRGKRZSA-N 328.459 1.797 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 107752052 POSASLCIEIEOJX-HZPDHXFCSA-N 329.462 1.776 0 40 EDAB C[C@H]1CN(CC(=O)Nc2ccnn2Cc2ccccc2)C[C@@H](C)O1 28913843 SDASZAYAJJISOH-GASCZTMLSA-N 328.416 1.979 0 40 EDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(F)c1 45896114 SSFFYSXELZCBRW-CYBMUJFWSA-N 333.323 1.291 0 40 EDAB CCc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(C4CC4)C3)CC2=O)cc1 60065756 AJBZSZAMMDNTLV-HOTGVXAUSA-N 341.455 1.955 0 40 EDAB COCn1cc(NC(=O)[C@H](C)n2cc(Br)c(C)n2)cn1 2804703 UTXNWXPPXMBRQE-VIFPVBQESA-N 342.197 1.954 0 40 EDAB CSc1nnc(NC(=O)CSc2ncnc3[nH]cnc23)s1 12323752 GKYZTCOFZPEFRS-UHFFFAOYSA-N 339.431 1.657 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2nccs2)CC1 12761849 WUQRJTLQIHBYDR-UHFFFAOYSA-N 345.396 1.932 0 40 EDAB CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 12521224 NKTCPKVJAWWSLP-UHFFFAOYSA-N 326.399 1.859 0 40 EDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(C)[nH]1 48235304 WPKFLMBILPBJAY-UHFFFAOYSA-N 345.380 1.867 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 48287904 SUUFNELEHITQPJ-CYBMUJFWSA-N 346.456 1.494 0 40 EDAB CN1CC[C@@H](NC(=O)NCC2(N3CCCCC3)CCCCC2)C1=O 172514116 DXOXBBPFPGYPAL-OAHLLOKOSA-N 336.480 1.705 0 40 EDAB COCC(=O)N[C@@H](C)C(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C 48324362 BUSGOPMSAJIVFC-AWEZNQCLSA-N 349.431 1.160 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cn3ccc(C)cc3n2)C1 48466346 XHHDZAMNOMNZFQ-CYBMUJFWSA-N 330.388 1.993 0 40 EDAB c1ccc(N2CCOCC2)c(CNC[C@@H]2CN(C3CC3)CCO2)c1 75606100 BCCSRRJMBUVBKU-GOSISDBHSA-N 331.460 1.476 0 40 EDAB CCc1cc(NC(=O)C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)n(C)n1 76018315 ITHNOVOOIVXQEI-MFKMUULPSA-N 348.353 1.872 0 40 EDAB COc1cc(CC(=O)Nc2ccc(C(N)=O)cc2)cc(OC)c1OC 3559822 DUWKVVBCNGBXNQ-UHFFFAOYSA-N 344.367 1.993 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c[nH]nc1-c1ccc(F)cc1 9318887 JGDYSVCFLHROMO-SECBINFHSA-N 348.334 1.607 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NC1CCN(c2ncccn2)CC1 48761718 BDHOQUTYDJHYQA-ZDUSSCGKSA-N 329.408 1.030 0 40 EDAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCC3(CCOCC3)C2)cc1 76178005 LLLJQZZJZYYBHZ-QGZVFWFLSA-N 348.443 1.887 0 40 EDAB Cc1cc(C)n2nc(C(=O)O[C@H](C)C(=O)Nc3ccccc3)nc2n1 5021354 JAVVTEVNJKTNCV-GFCCVEGCSA-N 339.355 1.925 0 40 EDAB Cc1nnsc1C(=O)NCc1cccnc1N1CCC[C@H](O)C1 39518433 ZAARWQXRXCOUOA-LBPRGKRZSA-N 333.417 1.133 0 40 EDAB c1ccc2nc(NC[C@H]([C@@H]3CCOC3)N3CCOCC3)cnc2c1 39555099 DXIQPUFRSCXEOV-RHSMWYFYSA-N 328.416 1.779 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(NCCO)nc3ccccc32)C1 49874646 QLOGLPRKMLEISO-ZIAGYGMSSA-N 330.432 1.945 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCC(N(C)c3ccccc3)CC2)C1 110668329 MWXZCIWSPROVKE-BMGDILEWSA-N 332.444 1.900 0 40 EDAB CCCc1nc(CN2CCCc3ccc(S(N)(=O)=O)cc32)no1 96444957 BYVWAXAONZUDPV-UHFFFAOYSA-N 336.417 1.622 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 4468651 AYILUTYKNFFDIB-YJYMSZOUSA-N 343.427 1.931 0 40 EDAB CSc1ccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cn1 65491552 AKAVJIVTGNPEKZ-JTQLQIEISA-N 329.447 1.414 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)[C@H](C)OC[C@H]2CCCO2)cc1 65592457 LCSASXGPYRCLIT-XJKSGUPXSA-N 334.416 1.589 0 40 EDAB CCS(=O)(=O)NCCNc1ccc2nnc(-c3ccccc3)n2n1 65576931 HNBANVYAYCXEIO-UHFFFAOYSA-N 346.416 1.143 0 40 EDAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC[C@@H](n2cccn2)C1 65608418 GNMKAGKROAISNC-MRXNPFEDSA-N 349.394 1.906 0 40 EDAB CC1CCN(C[C@H](O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1 71825021 FOCCFDBGJAGPEX-HNNXBMFYSA-N 337.464 1.676 0 40 EDAB Cc1noc(CN2CCN(C(=O)CN3CCc4ccccc43)CC2)n1 71821802 JMBFNSQMWFPURD-UHFFFAOYSA-N 341.415 1.085 0 40 EDAB O=S1(=O)CC[C@H](N2CCN(c3nc4ccccc4s3)CC2)C1 71837412 NGQWFXOJUTZRTF-LBPRGKRZSA-N 337.470 1.605 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 71830569 XWSDYTNQMBBDNF-LLVKDONJSA-N 333.417 1.788 0 40 EDAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCc1n[nH]c(=S)n1C 66626247 WPFOGEMVHZLKAG-SNVBAGLBSA-N 339.465 1.569 0 40 EDAB O=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 15543696 BFZHOJUEPGTFRG-UHFFFAOYSA-N 344.758 1.878 0 40 EDAB CCN(CCO)C(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O 9850375 VWAALXKCNOZMFW-INIZCTEOSA-N 328.368 1.113 0 40 EDAB Cn1cc(-c2nc(Cn3c(-c4ncccn4)noc3=O)cs2)cn1 69368041 OGRCJXXEZBBIJK-UHFFFAOYSA-N 341.356 1.199 0 40 EDAB COc1cccc(C[C@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1 72281543 CLKODCPFVSSJLE-STQMWFEESA-N 342.461 1.701 0 40 EDAB Cc1ccccc1[C@@H](O)CNC(=O)c1ccc(S(C)(=O)=O)cc1 72281242 DUFAJRKWWVFYER-INIZCTEOSA-N 333.409 1.862 0 40 EDAB COCc1ccccc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 69462133 AIFCJTZHNBGHML-KRWDZBQOSA-N 347.459 1.506 0 40 EDAB COc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1OC 69415393 ASPNLMMXMFMKIY-OAHLLOKOSA-N 336.432 1.887 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC2CC2)C1 72234068 KIQRJYISZAVCKH-JKSUJKDBSA-N 344.459 1.959 0 40 EDAB CC1CCC(NS(=O)(=O)CC(=O)NCc2cccs2)CC1 69570631 FADGWSNPAHSDGO-UHFFFAOYSA-N 330.475 1.862 0 40 EDAB NS(=O)(=O)NC[C@@H]1CCCN(CCCc2cccc(F)c2)C1 97048455 XNJCIJIIEOAJFZ-AWEZNQCLSA-N 329.441 1.263 0 40 EDAB O=C(CNc1cc(F)c(F)cc1F)NC[C@H]1CCS(=O)(=O)C1 97080264 HJURPRTXDAVHBT-MRVPVSSYSA-N 336.335 1.067 0 40 EDAB CCCCN(CC(N)=O)S(=O)(=O)c1c(C)nn(C(C)(C)C)c1C 69738185 HJYBJCDNUMKDTB-UHFFFAOYSA-N 344.481 1.531 0 40 EDAB Cc1nccc(CNC(=O)N2CCN(Cc3ccccn3)CC2)n1 97163452 FLFBMCYVLNAJOL-UHFFFAOYSA-N 326.404 1.207 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)OCc1cccc(C(C)=O)c1 97107099 DLWHMBNDPCASOO-UHFFFAOYSA-N 327.402 1.604 0 40 EDAB O=C1COc2ccc(C(=O)N3CCCC[C@H]3Cn3cccn3)cc2N1 69975254 MQEQCJCDKPIYJH-AWEZNQCLSA-N 340.383 1.909 0 40 EDAB COC(CNC(=O)CCSc1nc(Cl)nc2nc[nH]c12)OC 8992874 OIPAMYRYPNFLQR-UHFFFAOYSA-N 345.812 1.224 0 40 EDAB COc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cc1OC 72314085 SMHXMWLWNZZELE-STQMWFEESA-N 335.404 1.547 0 40 EDAB CC[C@@H]1CN(C(=O)CN(C)Cc2ccc(Br)cc2)CCO1 97372636 YBEBPDKUNCPUSH-OAHLLOKOSA-N 355.276 2.518 0 40 EDAB Cc1cccc2c1N(C(=O)c1[nH]c(C)c(S(N)(=O)=O)c1C)CC2 95447760 PQYQCKYBJRRFTJ-UHFFFAOYSA-N 333.413 1.790 0 40 EDAB C[C@@H](Sc1nnnn1CCN(C)C)c1cn(-c2ccccc2)nn1 95414692 PWKRAXYTLDTTKX-GFCCVEGCSA-N 344.448 1.669 0 40 EDAB C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@@H]1N(C)C 84714325 NCCZVXLZODZZGP-PWSUYJOCSA-N 342.237 1.019 0 40 EDAB CCCc1cc(N2CCC(N3CCN(C)C3=O)CC2)n2ncnc2n1 75128572 ZDCUGNQRZBRMKD-UHFFFAOYSA-N 343.435 1.413 0 40 EDAB O=C1C[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H](c2ccc3c(c2)OCCO3)O1 66088339 ZQTKUYRERVQWEM-GDZNZVCISA-N 347.367 1.357 0 40 EDAB C[C@@]1(CNC(=O)[C@H](O)C2CCOCC2)CCCN1Cc1ccccc1 548638771 UCHLATFZNHQXRY-QUCCMNQESA-N 346.471 1.945 0 40 EDAB Cc1noc(CCNC(=O)c2c(-n3cnnn3)sc(C)c2C)n1 524733199 DTVOHFRDUAIIAL-UHFFFAOYSA-N 333.377 1.005 0 40 EDAB C[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(Br)o1 527051460 MCCBOEJEJCNBMB-JTQLQIEISA-N 338.179 1.670 0 40 EDAB O=C(COCc1nc2cc(F)ccc2[nH]1)N1CCn2cncc2C1 72152008 FUOXCLKSOYQYHT-UHFFFAOYSA-N 329.335 1.458 0 40 EDAB CCc1nc(CN2CCN(S(=O)(=O)N3CCCC3)CC2)cs1 32777764 KKHMJGXVUHZLHD-UHFFFAOYSA-N 344.506 1.164 0 40 EDAB COc1c(C)cnc(CN(C)c2ccnc(C(=O)NCCO)c2)c1C 72167674 DTICGFCTSKHYCQ-UHFFFAOYSA-N 344.415 1.461 0 40 EDAB CC(=O)N[C@@H](C)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F 71903747 LFNRCKGOBBLUDI-QMMMGPOBSA-N 331.294 1.442 0 40 EDAB Cc1cc(C)nc(Nc2nccnc2C2CCN(CCO)CC2)n1 72363461 KHWLRCJZIHVAME-UHFFFAOYSA-N 328.420 1.799 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1csc(Cc2ccccc2)n1 185498633 CCWLJBDMNXJLCS-CABCVRRESA-N 332.425 1.842 0 40 EDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)Cc3cccnc3)C2)n1 225405240 CBQGCSMUAUBOQU-AWEZNQCLSA-N 327.388 1.160 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccccn2)cc1 226752275 GPOGFNFRTHZJBS-UHFFFAOYSA-N 335.385 1.349 0 40 EDAB NC(=O)C[C@@H](NC(=O)c1coc2ccc(F)cc12)C1CCOCC1 569004389 CNIHVUXQVMTTPC-CQSZACIVSA-N 334.347 1.972 0 40 EDAB CCn1c(Cl)nc2cc(C(=O)NCCN3CCOCC3)ccc21 225987933 NSYUBVDDIZQZBG-UHFFFAOYSA-N 336.823 1.772 0 40 EDAB C[C@]1(C(=O)O)CCCN1CC(=O)N1CCc2[nH]c3ccccc3c2C1 530204921 AJTATNCFACWSLB-LJQANCHMSA-N 341.411 1.992 0 40 EDAB CCc1ccccc1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)O)C1 191142359 KSSIMPFNGOHCKD-AWEZNQCLSA-N 332.400 1.644 0 40 EDAB Cc1noc([C@H]2C[C@H](O)CN2C(=O)Cc2n[nH]c3ccccc23)n1 329319542 IOUOCVRGZPWPEY-IINYFYTJSA-N 327.344 1.131 0 40 EDAB Cc1ccc2c(cnn2CCC(=O)NCCCN2CCOCC2)c1 40769053 YGLNJVRLSUHJCW-UHFFFAOYSA-N 330.432 1.573 0 40 EDAB Cc1n[nH]c(C)c1C(=O)N1CC[C@H](Oc2ccc(N(C)C)nn2)C1 225448662 FXEYYTLMDCISPM-LBPRGKRZSA-N 330.392 1.176 0 40 EDAB Cc1cccc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)c1 195571845 WRIUHGFCDPZCSS-UHFFFAOYSA-N 339.505 1.642 0 40 EDAB CN(C)c1nccc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1 577563658 CZILNTGQJCOIPL-WMLDXEAASA-N 343.479 1.795 0 40 EDAB O=C1CO[C@@]2(COCCN(Cc3cccnc3)C2)CN1c1ccoc1 96240183 NZPCMZUYCXCOIL-GOSISDBHSA-N 343.383 1.309 0 40 EDAB O=C(NCc1cccnc1)N1CCn2c(Cn3cccn3)cnc2C1 96201107 RCNLXOPSKSBPKB-UHFFFAOYSA-N 337.387 1.248 0 40 EDAB O=C1NCCO[C@H]2CN(C(=O)CCc3ccccc3Cl)CC[C@@H]12 96107081 FRDRDNVBKPRUFH-HIFRSBDPSA-N 336.819 1.636 0 40 EDAB Cn1ncc2c1[C@H](COCC1CC1)N(C(=O)c1ccccn1)CC2 96197800 KYNYRQQRRCQBRT-INIZCTEOSA-N 326.400 1.981 0 40 EDAB Cc1cccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@H]3C2)n1 96043529 PQFVHUTZWWZQPX-KZNAEPCWSA-N 345.443 1.781 0 40 EDAB Cc1ccccc1O[C@@H](C)CNC(=O)NC[C@H]1CN(C)CCN1C 96440109 IRRKYXKDCHQBRL-HOTGVXAUSA-N 334.464 1.307 0 40 EDAB O=C(c1ccno1)N1CCC[C@@]2(C[C@@H](Oc3ncccn3)CO2)C1 96073676 OXGVGSMODGJWFO-MLGOLLRUSA-N 330.344 1.307 0 40 EDAB O=C(c1ccoc1)N1CC[C@]2(CCCN(C(=O)c3cnccn3)C2)C1 96047083 NBLYUWICKCJUAV-SFHVURJKSA-N 340.383 1.838 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(C(=O)N3CCCC3)Cc3nccn3C2)n1 96188722 SRWPBOVCJDSVRP-OAHLLOKOSA-N 343.435 1.439 0 40 EDAB O=C(NC1(C(=O)NCC2CC2)CCCC1)[C@H]1Cc2ccccc2O1 96454583 RGJAZMVMRWRZAC-MRXNPFEDSA-N 328.412 1.945 0 40 EDAB CC(C)NC(=O)N1CCN(Cc2ccoc2)C[C@@]2(CNC(=O)C2)C1 96035986 FBWSMPJJELVLMO-QGZVFWFLSA-N 334.420 1.022 0 40 EDAB COc1ccc2cc(CN3CC[C@H](NS(C)(=O)=O)C3)ccc2c1 93530840 XVUAGCNLJLTHPB-INIZCTEOSA-N 334.441 1.972 0 40 EDAB Cc1oncc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1ccncc1 96184072 OVNHSHUWIWCILL-CABCVRRESA-N 326.356 1.394 0 40 EDAB CNC(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)nn1 583615977 ZASAJMRUVCZITF-QMTHXVAHSA-N 334.326 1.427 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)CN2CCCC2=O)cc1 583616073 JEDKIVWEJKWPGW-VQIMIIECSA-N 346.427 1.516 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 96055472 AQGZENVWZRHBLK-VNQPRFMTSA-N 340.383 1.570 0 40 EDAB NC[C@H]1CCC[C@H]1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 95432115 IDJUCLYEQQSFEO-BXUZGUMPSA-N 338.408 1.417 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@H](OCc3cccc(C)n3)CCO2)C1 247890762 VEPVAZNWNAVHBT-OAHLLOKOSA-N 340.445 1.490 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NCC2CS(=O)(=O)C2)C1 585137592 ICDFORXSPCPNDZ-CHWSQXEVSA-N 345.509 1.087 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cnc3ccnn3c2)C1 585124954 AZUAVSIOBPWBOV-NSHDSACASA-N 331.376 1.925 0 40 EDAB O=C(CN1CCN(C[C@H](O)c2cccs2)CC1)NCc1ccco1 85436939 NAZZEQMDBUYDEA-HNNXBMFYSA-N 349.456 1.309 0 40 EDAB CCOc1ccc2nc(N3CCN(S(C)(=O)=O)CC3)sc2c1 585204140 DHIBVTALHOFDGU-UHFFFAOYSA-N 341.458 1.777 0 40 EDAB CNC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3ccccc3)C2)ncn1 257249369 JHYUHYAMNQMVPP-AWEZNQCLSA-N 338.411 1.931 0 40 EDAB C[C@]1(C2CCN(CC(=O)O)CC2)CN(c2ccccc2)C(=O)CO1 257330230 XNMFJRRWVKXWPT-GOSISDBHSA-N 332.400 1.605 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)c(C)c1 69696431 XTMXNXXNNMFQIU-GFCCVEGCSA-N 347.458 1.168 0 40 EDAB Cc1cccc(S(=O)(=O)CCCN2C[C@@H]3OCCN(C)[C@H]3C2)c1 253370593 SVNKALPGGGVACP-IRXDYDNUSA-N 338.473 1.174 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@@H](c3nc(C)cn3C)C2)on1 257316668 VGNJRBCCLUYZKP-CYBMUJFWSA-N 334.376 1.258 0 40 EDAB O=C1CCCN1c1ccc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 257299456 RQCXWIHLMFOKGO-HKUYNNGSSA-N 330.428 1.929 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1ccccc1OCC(=O)NC)CC2 69740486 KHRSMSUBLJBRID-AWEZNQCLSA-N 343.431 1.070 0 40 EDAB CN(C)C(=O)[C@@H]1CCN(Cc2cnn(-c3ccccc3C(=O)O)c2)C1 257217115 CXNHDDWMANUMGJ-CQSZACIVSA-N 342.399 1.481 0 40 EDAB COCC(=O)NC[C@H]1CC[C@H]([C@H](NC(C)=O)c2ccccn2)CC1 257233962 GRNCHLARWRXQRA-MPGHIAIKSA-N 333.432 1.828 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@@H](Cn3nc(C)nc3C)C2)n(C)n1 69816857 FRQKITMFCZDXLI-OAHLLOKOSA-N 345.451 1.288 0 40 EDAB CC(C)Oc1ccc([C@H]2CNCCN2C(=O)c2ccnn2C)cc1 257340965 ZIGWRHYZKFTGDA-QGZVFWFLSA-N 328.416 1.994 0 40 EDAB Cc1ccc(-n2nnc(C(=O)N[C@@H]3CCCS(=O)(=O)C3)c2C)cc1 69898896 RPJHNQCUZWMOFB-CYBMUJFWSA-N 348.428 1.191 0 40 EDAB COc1ccccc1[C@@H]1CNCCN1C(=O)CCn1nccc1C 257340371 ZFSMWBYRPZPPLO-INIZCTEOSA-N 328.416 1.763 0 40 EDAB COC(=O)c1cccc(NC(=O)COC(=O)/C=C/c2cnccn2)c1 69974834 ZWQLDCAZLRSPGE-AATRIKPKSA-N 341.323 1.458 0 40 EDAB Nc1nccnc1C[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 257214949 COBKZNMXZMCSPL-INIZCTEOSA-N 342.443 1.885 0 40 EDAB CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)CCO1 283614042 ZFWNUJOAMCEKPE-BXUZGUMPSA-N 332.404 1.965 0 40 EDAB Cc1nc(C(C)C)ncc1C(=O)N1CCC2(CC1)OCC(=O)N2C 1615589324 GPZBVUXVYJERAQ-UHFFFAOYSA-N 332.404 1.329 0 40 EDAB CN(CC1CC1)c1nnnn1Cc1ccccc1CN1CCCC1=O 1616036384 LARIOGCHQJDNPW-UHFFFAOYSA-N 340.431 1.690 0 40 EDAB CN(C[C@H]1COCCO1)c1nnnn1Cc1ccc(F)c(Cl)c1 1616033661 SNUGQEZUKLZXGC-NSHDSACASA-N 341.774 1.366 0 40 EDAB C[C@@H](NC(=O)C1CN(c2cc(-n3ccnc3)ncn2)C1)c1ccccc1 390829416 YKTHFQYFZJVUKM-CQSZACIVSA-N 348.410 1.976 0 40 EDAB O=C(C1CCC1)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585096014 YCQZGLHORPSVQX-OAHLLOKOSA-N 332.404 1.511 0 40 EDAB Cn1cnc2c1C[C@@H](CO)N(C(=O)c1cn3cc(Cl)ccc3n1)C2 585094798 NFAHPRVMKZHTAB-NSHDSACASA-N 345.790 1.281 0 40 EDAB CNC(=O)C[C@]1(COC)CN(C(=O)/C=C/c2ccccc2)CCO1 585276251 FFZFQBNEFLYAGL-GFOMBABLSA-N 332.400 1.080 0 40 EDAB COC(=O)C[C@H]1CCCN1C(=O)C[C@H](O)COCc1ccccc1 585140909 NAXNHQZJQFZUIB-CVEARBPZSA-N 335.400 1.508 0 40 EDAB CC(C)Oc1ncc(C(=O)N2CCN(CCO)CC2)cc1Cl 75572692 UMFWPDKRZFAMFU-UHFFFAOYSA-N 327.812 1.272 0 40 EDAB CC[C@H](C)NC(=O)CS(=O)(=O)Cc1cc(C(C)=O)ccc1OC 44715366 LUBSADPYZAITOE-NSHDSACASA-N 341.429 1.727 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@H](C(N)=O)C1 52550715 MNCNOCBJFRXZEB-DOTOQJQBSA-N 341.411 1.675 0 40 EDAB COC(=O)CCCN(C)S(=O)(=O)c1cc(OC)ccc1OC 55415452 KXMMLHBQDLQIIH-UHFFFAOYSA-N 331.390 1.278 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@@H]3Cc4ccccc4S3)CCO2)n1 76045190 LSHZURFBYWNERY-OCCSQVGLSA-N 330.413 1.730 0 40 EDAB CCOc1nnc(CN2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)s1 78892849 DEYYJGSMRODOLU-SNVBAGLBSA-N 338.437 1.752 0 40 EDAB O=C(NCCc1cn2ccccc2n1)N1CC[C@@](O)(C(F)(F)F)C1 81475096 DKXLRMQPHINXIU-AWEZNQCLSA-N 342.321 1.586 0 40 EDAB COc1ccc(OC)c(CN(C)C(=O)N[C@H]2CCCCNC2=O)c1 83862033 IBGBNDHJBVXMSP-AWEZNQCLSA-N 335.404 1.514 0 40 EDAB C/C(=C\C(=O)O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 97653585 CRJVUTXZPURHBY-ZHACJKMWSA-N 338.385 1.441 0 40 EDAB COC[C@@](C)(O)CNC(=O)c1c(F)cc(Br)cc1F 195537622 IVQAIMBWUWGBFA-LBPRGKRZSA-N 338.148 1.855 0 40 EDAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2nccnc2N)c1 5040409 GHKWPIXXYMAIJE-JTQLQIEISA-N 328.328 1.445 0 40 EDAB Cc1nsc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)n1 1889138864 LYOBJHKIAZHOPA-UHFFFAOYSA-N 328.405 1.149 0 40 EDAB COc1cnc(C(=O)N2CC3(C[C@@H](NC4CCC4)CS3)C2)cn1 2056223730 CTGNLVGVTZRHFO-GFCCVEGCSA-N 334.445 1.327 0 40 EDAB COCCn1cnc2c(c1=O)OCCN(C(=O)[C@@]1(C)CC=CCC1)C2 1614937323 NCSJUJWHCZVIGW-SFHVURJKSA-N 347.415 1.357 0 40 EDAB Cc1nc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3C2)cs1 1565555673 FPFFHAMIMYPGGD-UHFFFAOYSA-N 340.412 1.841 0 40 EDAB Cc1ncoc1C(=O)N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055745675 SUDXOBUFQLQAFF-NSHDSACASA-N 344.371 1.398 0 40 EDAB CCc1nnc2ccc(N3C[C@@H]4CN(c5cnccn5)C[C@H]4C3)nn12 2086865937 BZKIZJQUUHWZNZ-CHWSQXEVSA-N 336.403 1.049 0 40 EDAB O=C(Cn1nnc2ccccc21)NC[C@H]1CCCN1c1nccs1 206781679 KHYKBDBBRVWYLO-GFCCVEGCSA-N 342.428 1.673 0 40 EDAB Cn1nc(C(=O)NCCCOc2cccc3cccnc23)ccc1=O 44455411 OHVWOMZZUKMQNI-UHFFFAOYSA-N 338.367 1.527 0 40 EDAB O=C(NCc1ccccc1)C(=O)NC[C@@H](c1ccco1)n1cccn1 575613338 FXRYFAACDYWHOR-HNNXBMFYSA-N 338.367 1.498 0 40 EDAB O=C1NC(=O)c2c(NC(=O)c3coc4ccccc4c3=O)cccc21 4194650 BXXDZHJGGHQZHP-UHFFFAOYSA-N 334.287 1.929 0 40 EDAB NCCn1nc([C@H]2CCN(C(=O)CC3CCCC3)C2)c2nccnc21 19404350 IHTJWSBLMDKSKA-AWEZNQCLSA-N 342.447 1.681 0 40 EDAB CC1(C)[C@H]2CC=C(CN3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)O)[C@@H]5C3=O)[C@@H]1C2 3881886 KFWIQRFOCDYDRG-IEVNUUMUSA-N 329.396 1.845 0 40 EDAB biogenic CNC(=O)COc1cccc(N[C@H](C)C(=O)Nc2cc(C)on2)c1 30493492 KHCBLGWEXRUPLM-LLVKDONJSA-N 332.360 1.547 0 40 EDAB COc1ccc(CN2CCN(C(=O)/C=C/c3cnn(C)c3)CC2)cc1 30536028 CUNSHDVEZBKLPE-VMPITWQZSA-N 340.427 1.786 0 40 EDAB COc1ccc([C@@H](C)N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 100314747 REKWHZMALYIKHA-MLTZOPNTSA-N 329.352 1.623 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1C 40459520 YRXKWUNWJXXEFL-CQSZACIVSA-N 347.415 1.298 0 40 EDAB O=c1n(Cc2nc(Cc3ccccc3)no2)nnn1-c1cccs1 31654869 HNSSECCZEAUOMA-UHFFFAOYSA-N 340.368 1.513 0 40 EDAB C[C@H](c1ccc2c(c1)OCO2)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O 100918366 LCPQTKFZJSZOCI-NCAIEMMMSA-N 343.335 1.343 0 40 EDAB biogenic CN(C)CCCNc1c(NCC2(N(C)C)CCCCC2)c(=O)c1=O 101687792 FRNGPIPYGAUBOK-UHFFFAOYSA-N 336.480 1.323 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1 32469386 LMJYANICTDHGDR-JTQLQIEISA-N 345.442 1.724 0 40 EDAB COC(=O)COc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)OC2(C)C 101714946 IPFVAMFIRGYPJX-LLVKDONJSA-N 345.351 1.431 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1cccnc1 32759118 JEKZSGYQHGWPMX-NSHDSACASA-N 340.426 1.525 0 40 EDAB O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccc(O)nn1 32744231 HNIPXIANYHJXDP-UHFFFAOYSA-N 328.250 1.448 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)COc2cccc(Br)c2)C1 41128070 CUOPVQFFKQCBGC-VIFPVBQESA-N 327.178 1.162 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@H]2c2ccccc2)C1=O 53081278 VDBLLEVPHCSURL-KDOFPFPSSA-N 327.384 1.681 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC(Cc2ccccc2)CC1 53507490 ACMHOWPLWQGCSA-INIZCTEOSA-N 336.457 1.838 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)c2c(C)nn(C)c2C)C1 70029588 QBXSHUSTPYFRBA-BXUZGUMPSA-N 336.436 1.878 0 40 EDAB CC(C)OCCCNC(=O)CCCn1nnc2ccccc2c1=O 40267661 AOXNACFJRGEFDT-UHFFFAOYSA-N 332.404 1.503 0 40 EDAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cnn[nH]2)CC1 69325839 CMHDWHCYEQCOHU-GFCCVEGCSA-N 346.410 1.577 0 40 EDAB CCOP(=O)(OCC)[C@@H](NC(=O)Nc1ccccc1)C(N)=O 2311507 VRVCSIWGBRMKJO-GFCCVEGCSA-N 329.293 1.886 0 40 EDAB O=C(N[C@@]1(C(F)(F)F)N=C2SCCN2C1=O)c1ccc(F)cc1 2261114 KJBSRXOFOHFKIJ-GFCCVEGCSA-N 347.293 1.759 0 40 EDAB COc1ncccc1C(=O)NC1CCN(C(=O)c2ccoc2)CC1 40496278 GTCFYZFZYRWHRR-UHFFFAOYSA-N 329.356 1.718 0 40 EDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)CCCOc1ccc(F)cc1 40528558 LURBAINZWCCWMY-NSHDSACASA-N 329.393 1.677 0 40 EDAB CC(C)CNC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 96307672 PNSSHKOCBMZGCU-UHFFFAOYSA-N 344.381 1.995 0 40 EDAB O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 357497 GABORMWVLIOEOP-UHFFFAOYSA-N 326.374 1.274 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)nn12 8394467 ASTQQJXQOZDFNY-KGYLQXTDSA-N 345.403 1.530 0 40 EDAB COc1ccc(C)cc1CCNC(=O)[C@@H](CCSC)NC(N)=O 32744849 ANESQDYYOURXCR-CYBMUJFWSA-N 339.461 1.452 0 40 EDAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCNC(=O)C1 32736310 DMCPYPXUHGTUAS-UHFFFAOYSA-N 343.431 1.520 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)NCCc1ccccc1F 32895607 AWSXRRYIUOVNRI-UHFFFAOYSA-N 341.364 1.247 0 40 EDAB CCCn1nc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)ccc1=O 29254135 GUHWILWTOPECJP-GFCCVEGCSA-N 344.419 1.462 0 40 EDAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1OC 100747047 MKPBSJITNRALDA-SDADXPQNSA-N 347.367 1.017 0 40 EDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 9050793 KZEXSODEJBCMJQ-GJZGRUSLSA-N 346.427 1.773 0 40 EDAB CCc1n[nH]c(SCC(=O)N2CCN(c3ccccc3F)CC2)n1 11716708 GHZLRMUNFLWXFR-UHFFFAOYSA-N 349.435 1.947 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ncc(C)s2)cc1 22131161 YPHGBBGJMGVZQP-UHFFFAOYSA-N 339.442 1.931 0 40 EDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(C)on1)C2=O 2653381 GUVYTZAFKKCRRM-UHFFFAOYSA-N 334.376 1.812 0 40 EDAB NS(=O)(=O)c1cccc(S(=O)(=O)NC2CCCCCCC2)c1 22409848 KZMXPFKKWXPHEF-UHFFFAOYSA-N 346.474 1.725 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NCc2ccnc(OC3CCCC3)c2)C1 42061284 PVJKVOKQXKOPNW-CQSZACIVSA-N 346.431 1.810 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)NC3CC3)CC2)cc1 23081107 NYMMUZUSBJLLFW-UHFFFAOYSA-N 337.445 1.563 0 40 EDAB Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1ccc3c(c1)OCO3)C2=O 23117939 NULSGYRFJNIIQB-UHFFFAOYSA-N 338.319 1.958 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(CC(F)(F)F)CC1 23249311 AJDGRGGLOJJQAF-UHFFFAOYSA-N 348.369 1.379 0 40 EDAB CCOC(=O)[C@@H](C)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 53239094 BLSULKIZADPERY-LLVKDONJSA-N 332.356 1.017 0 40 EDAB CC(C)NC(=O)CNC(=O)CCOc1cccc(Br)c1 23926134 HOVBVBFHWHXAGJ-UHFFFAOYSA-N 343.221 1.859 0 40 EDAB Cc1ccc(CCC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)cc1 42848959 ODBFSHCOUSOSBK-INIZCTEOSA-N 343.427 1.764 0 40 EDAB CN(C)C(=O)N[C@@H]1CCOC2(CCN(Cc3ccccn3)CC2)C1 108528212 OLGCRRANXONXCT-OAHLLOKOSA-N 332.448 1.866 0 40 EDAB Cc1nnc(CN2CCN(C(=O)C(C)(C)c3ccccc3)CC2)n1C 47541690 YUNSMKQHVJLQPA-UHFFFAOYSA-N 341.459 1.746 0 40 EDAB CCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244827 IJOJELIERHROCA-UHFFFAOYSA-N 327.450 1.442 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccccc1Cl 27476409 GBWSQFPGUNMZSU-UHFFFAOYSA-N 343.770 1.660 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)NCCn1cnc2ccccc21 58178295 PZGVXSRRFYOICX-UHFFFAOYSA-N 347.382 1.371 0 40 EDAB CC(C)[C@H](Sc1nnnn1C1CC1)C(=O)NCc1cccnc1 58209384 WPLFUWHVRVPSHC-ZDUSSCGKSA-N 332.433 1.836 0 40 EDAB Cc1cc2n(n1)C[C@H](CNC1CCN(Cc3ccccn3)CC1)CN2 58291772 YRXPCYYIXLJNFX-MRXNPFEDSA-N 340.475 1.882 0 40 EDAB CC(=O)N1CCC(NC(=O)CCc2nc(-c3ccccn3)no2)CC1 44918350 URKSRUARRPHODV-UHFFFAOYSA-N 343.387 1.191 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)CCNC(=O)c1ccc(Cl)cc1 44917222 IMEKILVETZGXCA-LBPRGKRZSA-N 334.807 1.861 0 40 EDAB O=C(NC1CCN(c2ncccn2)CC1)c1ccc(-n2ccnc2)nc1 44943047 XYHPLFYQIDLIQP-UHFFFAOYSA-N 349.398 1.456 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)c1)NCc1ccccn1 44946291 UBPGYAOCFURENN-UHFFFAOYSA-N 327.388 1.313 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)o1 44943752 ZIVNPRZXFSKSKF-RYUDHWBXSA-N 344.433 1.513 0 40 EDAB CCN1CCO[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)C1=O 2241972 NLFAQTBSCDETMG-ZDUSSCGKSA-N 326.780 1.925 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 3330370 INJHUNQUROGQAD-GOSISDBHSA-N 329.400 1.334 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)C[C@H](NC(N)=O)c1ccccc1F 48273146 JNIJOXYSQUGCQN-FZMZJTMJSA-N 333.367 1.327 0 40 EDAB CC(C)(C)c1nc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)no1 48299900 FWVSAJCHJTWSEJ-GFCCVEGCSA-N 344.481 1.661 0 40 EDAB CC(C)(C)c1ncc(C(=O)NCCn2nc3ccccn3c2=O)s1 62272323 KMKCLUQTOZCKPA-UHFFFAOYSA-N 345.428 1.680 0 40 EDAB CCCCn1c(N)c(N(CC)C(=O)/C=C/c2ccco2)c(=O)[nH]c1=O 3407545 FQWOBJIQDSNIQB-CMDGGOBGSA-N 346.387 1.578 0 40 EDAB CCS(=O)(=O)N(C)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 408705400 DYDGNCMOYRJFBM-AWEZNQCLSA-N 326.418 1.381 0 40 EDAB O=C(O)[C@H]1CCCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 13260756 MSBUATWZJOSJFJ-AWEZNQCLSA-N 330.384 1.679 0 40 EDAB O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)NCc2ccco2)c2ccccc21 4045116 MQMMDOTWWLDUGO-YOEHRIQHSA-N 340.335 1.756 0 40 EDAB biogenic CC(C)(C)NC(=O)CNC(=O)c1ccc(Br)cc1O 49446761 VJSJCNZGWJCTOB-UHFFFAOYSA-N 329.194 1.799 0 40 EDAB O=C1OCC[C@H]1Sc1ccc(S(=O)(=O)N2CCCC2)cn1 17225803 NQLBCDLSQFYLPL-LLVKDONJSA-N 328.415 1.274 0 40 EDAB CCOC(=O)N1CCC(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 69658013 SQVWBZCSBOLLGH-VXGBXAGGSA-N 334.438 1.046 0 40 EDAB O=C(O)[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(Cl)cc1 6125866 UVYBNOUSAZKNAN-LLVKDONJSA-N 329.765 1.037 0 40 EDAB CC[C@@H]1CN(Cc2csc(NC(C)=O)n2)CCN1CCOC 69817615 JBHMRRJLMWIKTL-CQSZACIVSA-N 326.466 1.644 0 40 EDAB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(C)c1)C1=C(COC1=O)N2 4495929 ILZFXXBUZHDJTJ-GFCCVEGCSA-N 339.351 1.233 0 40 EDAB Cc1nn(C)c(C(=O)N[C@H]2CCc3nccn3C2)c1Br 65530262 SGADZWYWXRQMFV-VIFPVBQESA-N 338.209 1.432 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)OCC(=O)N3)on1 14571756 XMIDTQMRORDHRZ-SECBINFHSA-N 345.311 1.498 0 40 EDAB O=C(O)CNC(=O)/C(=C/c1ccc(O)cc1)NC(=O)c1ccccc1 4863160 ZBSZJIZVBRQMAL-GDNBJRDFSA-N 340.335 1.364 0 40 EDAB C[C@H](NC(N)=O)C(=O)NC(C)(C)Cc1ccc(Br)cc1 66761888 FJJNYZYQZILUGI-VIFPVBQESA-N 342.237 1.943 0 40 EDAB COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccco2)n1 4968133 JYVJIQOKFSBSCL-UHFFFAOYSA-N 339.351 1.828 0 40 EDAB CC(C)NC(=O)Cn1cnc2nc(N3CCC[C@@H](C)C3)sc2c1=O 67226249 DMWIPWXQEUHFNR-LLVKDONJSA-N 349.460 1.614 0 40 EDAB Cc1cccc2nc(COC(=O)CNC(=O)c3ccco3)cc(=O)n12 7212366 APZBMKUTCDEXTJ-UHFFFAOYSA-N 341.323 1.069 0 40 EDAB Cc1cc(C)cc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 7667325 JCDLEBOTBWCALK-UHFFFAOYSA-N 331.397 1.740 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1CSCC1=O 7734651 GMPGMHUAOHUWSB-LBPRGKRZSA-N 336.413 1.208 0 40 EDAB O[C@@H](Cn1cnc2c(N3CCOCC3)ncnc21)c1ccccc1 92857462 HDLHGKBYZACGBA-AWEZNQCLSA-N 325.372 1.397 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 16596154 JRKWVOFAISBESV-INIZCTEOSA-N 340.379 1.317 0 40 EDAB Cc1ccc(C)c(C(=O)CCC(=O)NC[C@H](O)CN2CCOCC2)c1 89611866 WDDBMDXZCWOMIC-INIZCTEOSA-N 348.443 1.076 0 40 EDAB Cc1cc(NC(=O)C(=O)NCCN2C[C@H](C)O[C@H](C)C2)ccc1F 71799733 KRXAWCOZVYPZNF-BETUJISGSA-N 337.395 1.298 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(CS(N)(=O)=O)cc2)cn1 71799268 WAJWZLBOBWVNTQ-OAHLLOKOSA-N 348.428 1.186 0 40 EDAB CCn1cnnc1CCNC(=O)c1cccc(OCC(F)(F)F)n1 96417018 MVAXEWBYINTKBB-UHFFFAOYSA-N 343.309 1.607 0 40 EDAB NC(=O)COc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 28256315 NFAZLRDFQVVDLA-ZHACJKMWSA-N 332.381 1.963 0 40 EDAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccccc1 9513400 PZGHWUOWYRLLLS-UHFFFAOYSA-N 331.335 1.966 0 40 EDAB C[C@@H](Cn1cccn1)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 71863692 BHJFTMWRSYQVQE-FUHWJXTLSA-N 342.443 1.397 0 40 EDAB Cc1ncsc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 71863687 JVQFAYNAYQBEEB-OAHLLOKOSA-N 331.441 1.943 0 40 EDAB O=C1COc2cc(C(=O)NCCCOC[C@H]3CCOC3)ccc2N1 71920815 WVVCFAHRTBWXSA-GFCCVEGCSA-N 334.372 1.191 0 40 EDAB C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)N1CCc2ccccc2C1 72282371 SKVOZLCGKLDNJF-RHSMWYFYSA-N 335.473 1.458 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)NCc3cccnc3N(C)C)C2)no1 72235851 CYFCCXULPBBXIL-CQSZACIVSA-N 344.419 1.928 0 40 EDAB O=C(c1cc(F)c(F)c(F)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269208 JYVJJQWXPHMPCU-ZIAGYGMSSA-N 328.334 1.775 0 40 EDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)CCNc3ncccn3)C2)n1 72235722 IURFTHYZCRFGFZ-OAHLLOKOSA-N 328.420 1.956 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)C(=O)NC[C@@H]3CC=CCC3)ccc21 72254845 MNSIPYMMUVUXKP-LLVKDONJSA-N 329.356 1.543 0 40 EDAB CNC(=O)c1cccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)c1 72297181 PZPZGBRVHTUMMF-MRXNPFEDSA-N 341.415 1.732 0 40 EDAB CC(C)c1nc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c[nH]1 97048147 NRERPCHCYFMIFY-LBPRGKRZSA-N 338.437 1.226 0 40 EDAB C[C@@H](CNC(=O)N[C@@H]1CC(C)(C)OC1(C)C)CN1CCN(C)CC1 97048261 HVCWFBLVAOKYEI-LSDHHAIUSA-N 340.512 1.515 0 40 EDAB Cc1nnc([C@H](C)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)o1 76017745 YBNSDHWLJXDWFT-NSHDSACASA-N 334.424 1.937 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccnc(OCC)c3)CCO2)n1 76046118 SNARCJQSCOVODF-ZDUSSCGKSA-N 345.403 1.765 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)n1 84286595 GIUUTLAQDUGKSC-GFCCVEGCSA-N 328.372 1.575 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)Cc3cccc(Cl)c3)C2=O)cn1 76016995 YTNMZJJGIBZZEG-AWEZNQCLSA-N 332.791 1.538 0 40 EDAB Cc1cc(NC(=O)CN2CCn3ccnc3C2)n(-c2ccccc2)n1 97201559 ZMZYCBZTGLMFEV-UHFFFAOYSA-N 336.399 1.832 0 40 EDAB Cc1nc(NC(=O)CCN2C(=O)c3nccnc3C2=O)sc1C 72402721 VKCLOGMNNATIKE-UHFFFAOYSA-N 331.357 1.175 0 40 EDAB COc1ccc2nnc(CCC(=O)Nc3ccc4c(c3)OCO4)n2n1 72402309 ORLLPXRMDADZNO-UHFFFAOYSA-N 341.327 1.433 0 40 EDAB Cc1cc(C)cc(-c2nnc(SCCNS(C)(=O)=O)o2)c1 78552799 COKQWUPCPOYDJI-UHFFFAOYSA-N 327.431 1.995 0 40 EDAB O=C(O)[C@@H]1CCCCN1C(=O)CCN1C(=O)CSc2ccccc21 95947077 IDCUXMYANBSSGS-ZDUSSCGKSA-N 348.424 1.981 0 40 EDAB O=C(CCN1CCC(Cn2ccnn2)CC1)N1CCc2ccccc21 95973430 JHOFOFTXHJPQOC-UHFFFAOYSA-N 339.443 1.970 0 40 EDAB NS(=O)(=O)c1cnn(-c2ccc(NCc3ccccc3)cn2)c1 95990288 SJTLZCDCZIAZEG-UHFFFAOYSA-N 329.385 1.527 0 40 EDAB Nc1ccnc(CNC(=O)[C@@H]2CCCCN2Cc2ccccc2)n1 95986375 PHSILWLCPIAJPP-HNNXBMFYSA-N 325.416 1.730 0 40 EDAB CCC(CC)n1nc(C)cc1C(=O)NC1CCS(=O)(=O)CC1 95986590 DYQBWHKTCWWDBB-UHFFFAOYSA-N 327.450 1.860 0 40 EDAB CC(C)(CO)CCCNC(=O)CCn1cnc2sccc2c1=O 79109820 OVFKHLOOLWKCDZ-UHFFFAOYSA-N 337.445 1.763 0 40 EDAB Cn1cc(CCC(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc21 79495528 KOMVUSXTBMFKHF-UHFFFAOYSA-N 349.456 1.215 0 40 EDAB COc1ccc(C(=O)N2C[C@@H]3OCC(=O)N(CC4CC4)[C@@H]3C2)cc1 67897464 PPCSUNNQLPVOKU-CVEARBPZSA-N 330.384 1.157 0 40 EDAB biogenic,in-vitro COc1cccc([C@@H](NS(=O)(=O)Cc2cc(C)no2)C(=O)O)c1 548533978 MSFYUUYDBTYHOP-CYBMUJFWSA-N 340.357 1.237 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 521395331 FQHOJSVCFNOFLQ-WXHSDQCUSA-N 328.420 1.881 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1ccc(-n2ccnc2C)nc1 58406114 HFDCMVVRYDZTJS-UHFFFAOYSA-N 339.447 1.973 0 40 EDAB CC(=O)N(C)Cc1cncc([C@H]2CCCN2C(=O)c2ccccn2)n1 72387966 IQQRUTHWBXUPKQ-QGZVFWFLSA-N 339.399 1.827 0 40 EDAB O=C(NCCCN1CCOCC1)Nc1cccc(N2CCCC2=O)c1 78248799 SSAIDBJTCWOUTG-UHFFFAOYSA-N 346.431 1.657 0 40 EDAB O=C(Cn1cnc2ccccc21)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 38490007 XNMJSOQSWWZZKP-LSDHHAIUSA-N 348.406 1.844 0 40 EDAB CCC(=O)c1ccc(OCc2nc(C)c(CC(=O)O)c(=O)[nH]2)cc1 217392411 SICVYUCCOWSJLK-UHFFFAOYSA-N 330.340 1.877 0 40 EDAB CCOc1ccc([C@@H](C)NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 225791877 ANTCXSHKLKSCLR-XNNBJJOUSA-N 331.368 1.917 0 40 EDAB COCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCO[C@H](C(C)C)C1 1066567982 XCHKVSNRJLPQSO-HOTGVXAUSA-N 342.480 1.781 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@@]2(C)CCC(=O)N2)cc1C 569945139 RBSQDDCJEXWOKW-OAHLLOKOSA-N 326.418 1.341 0 40 EDAB CC[C@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)CN1CCCC1=O 195531505 UXEUSJVQDZAYJT-RBUKOAKNSA-N 345.487 1.566 0 40 EDAB Cc1n[nH]c(SCCNC(=O)c2ccc3c(c2)nc(C)n3C)n1 225892786 PTQRREOQIPVPOY-UHFFFAOYSA-N 330.417 1.830 0 40 EDAB CN(Cc1ncc(C(N)=O)cn1)S(=O)(=O)c1ccc(Cl)cc1 223388970 LHQQBHXLXNKJFR-UHFFFAOYSA-N 340.792 1.050 0 40 EDAB Cc1ccc(O[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)nn1 225427445 ACDIROUBPDBCIT-CQSZACIVSA-N 341.367 1.736 0 40 EDAB Cc1noc(-c2csc(S(=O)(=O)N3CCN(C)CC3)c2)c1C 44892244 RXZASZYHWZVYPE-UHFFFAOYSA-N 341.458 1.956 0 40 EDAB CC(C)[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 225208663 UWSQLGQWZQGOPK-LBPRGKRZSA-N 327.450 1.704 0 40 EDAB O[C@@]1(Cn2ccnn2)CCCN(c2nc(C3CCCC3)ns2)C1 575603573 GJLCXCNJRGBFBU-HNNXBMFYSA-N 334.449 1.819 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(OC(C)C)n2)C1 330636809 VJBUQQSFSBTIGK-GFCCVEGCSA-N 341.433 1.023 0 40 EDAB CS(=O)(=O)N1CC[C@]2(CCC[C@H](CNc3ccccn3)O2)C1 96216688 KYDFUAFEWFIAMC-UKRRQHHQSA-N 325.434 1.467 0 40 EDAB Fc1cnc(N2CC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1 96107816 DBHNTJCTCMLVOG-WBVHZDCISA-N 330.363 1.965 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccncc3)C[C@@H]12)N1CCCC1 96057214 DURSQUHEQPZVHR-KURKYZTESA-N 329.444 1.789 0 40 EDAB Cn1cc(CN2CCC[C@@]3(CO[C@@H](C(=O)NCC4CC4)C3)C2)cn1 96224842 XBEOTTRNUDUXIA-AEFFLSMTSA-N 332.448 1.317 0 40 EDAB CN(C)C(=O)COC[C@@H]1CC2(CCN(Cc3cccnc3)CC2)CO1 96208566 MNABQBPFVBNTTG-KRWDZBQOSA-N 347.459 1.558 0 40 EDAB Cn1ncc(C(=O)N2CCN(CCSc3ccccc3)CC2)c1N 97375354 STZRWDZSSRSWBL-UHFFFAOYSA-N 345.472 1.552 0 40 EDAB O=C(c1ccnnc1)N1CCC2(CC[C@@H](C(=O)N3CCCC3)O2)CC1 96061255 UFPAPZUBHQVHON-HNNXBMFYSA-N 344.415 1.253 0 40 EDAB O=C(Cn1c(-c2cnccn2)noc1=O)c1ccc(F)c(Cl)c1 96411913 AZUPUTHCANSCSU-UHFFFAOYSA-N 334.694 1.969 0 40 EDAB CCN1CCCC[C@H]1C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 96461635 QCZYIXGINZMJNU-KRWDZBQOSA-N 343.431 1.767 0 40 EDAB Cc1cc(NC(=O)N2CCO[C@@H]([C@@H](C)O)C2)nn1C1CCCCC1 332614005 CIEHCALRQZVPPG-UKRRQHHQSA-N 336.436 2.310 0 40 EDAB CCS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 96409314 HTKAJGIWOAZUHY-CQSZACIVSA-N 342.436 1.654 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccncc2)C(=O)N3)no1 96199564 ZZYRTKRWLMZJOW-AWEZNQCLSA-N 340.383 1.657 0 40 EDAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3nccs3)C[C@H]12)c1ccno1 96185493 HELMOYKMZWWOFP-SGMGOOAPSA-N 348.428 1.398 0 40 EDAB Cc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](c1cnn(C)c1)N(C)C 96410768 AGYPOQDEPDMLTK-HNNXBMFYSA-N 347.394 1.225 0 40 EDAB CCNC(=O)CCCn1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96100943 CWHCDTNSXZKDGE-UHFFFAOYSA-N 345.399 1.844 0 40 EDAB CN(C)CCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181911 MKOCMYYBGRLTIE-RDJZCZTQSA-N 335.423 1.803 0 40 EDAB CC(C)S(=O)(=O)CC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 96407367 ROOXKXZQAIKHGI-AWEZNQCLSA-N 342.436 1.734 0 40 EDAB CC(C)c1nccn1CCC(=O)N[C@H]1CCN(c2cnn(C)c2)C1 96444747 NHWUCDAGJAEUOX-AWEZNQCLSA-N 330.436 1.525 0 40 EDAB CC(C)NC(=O)N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 96260665 BDONYXKVSCQJDJ-OAHLLOKOSA-N 343.431 1.310 0 40 EDAB Cn1cccc1C(=O)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 248089063 BXCKTKQRARISIO-CYBMUJFWSA-N 328.372 1.268 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)CN2CCCC2=O)cc1 583616070 JEDKIVWEJKWPGW-APWZRJJASA-N 346.427 1.516 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 583616332 GUFJZOAFIAMIGU-CFVMTHIKSA-N 343.420 1.685 0 40 EDAB CCN1CCN(C(=O)c2ccc(C)nc2O)C[C@H]1c1nccn1C 583615055 LNSWKFYPDGTFDH-AWEZNQCLSA-N 329.404 1.348 0 40 EDAB O=C(NCCCCN1CCOCC1)c1cncn1-c1ccc(F)cc1 40541034 AHRTYPCUHYKJCN-UHFFFAOYSA-N 346.406 1.854 0 40 EDAB Cc1cncc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H](O)[C@@H]2O)c1 257305866 SRWYDZMHBIRIMJ-BRSBDYLESA-N 342.395 1.452 0 40 EDAB CCN1C(=O)CCc2cc(S(=O)(=O)NCc3ccncc3)ccc21 257173222 HARFEULUNJZZAN-UHFFFAOYSA-N 345.424 1.859 0 40 EDAB O=C(CCn1ncc2ccccc21)N1C[C@@H](O)[C@H](N2CCCC2)C1 257340047 ZEGOLMWKRNMTAA-IAGOWNOFSA-N 328.416 1.094 0 40 EDAB Cc1nc([C@]2(C)CCCN(S(=O)(=O)N(C)C)C2)c2sccn12 257252801 JWEKETSSBFUQIO-CQSZACIVSA-N 342.490 1.864 0 40 EDAB O=C(CCn1ccnc1)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257331776 XUFIDGIBOYIAQF-CQSZACIVSA-N 340.387 1.775 0 40 EDAB CCn1cc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)cn1 257292328 QKZWPFLYPRPQFR-KRWDZBQOSA-N 329.404 1.059 0 40 EDAB O=C(CCc1cccnc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257259687 KZNBSMHXYJXPMV-HUUCEWRRSA-N 339.386 1.317 0 40 EDAB Cc1nc2ccc(N3CCC[C@H]3C(=O)NCc3ccco3)nn2n1 252490176 KLEBERULZISKKA-ZDUSSCGKSA-N 326.360 1.311 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCC2 257323345 WJTWSDUEULPDAK-CYBMUJFWSA-N 341.415 1.471 0 40 EDAB COC[C@@]1(C(N)=O)CCCN1C(=O)C[C@H](C)Cc1cccc(F)c1 585088492 KOBSSDQTGHORIM-FZKQIMNGSA-N 336.407 1.887 0 40 EDAB CC(=O)N[C@@H]1CO[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C[C@@]1(C)O 257218804 DELZYENFVXMXBG-WJFTUGDTSA-N 332.444 1.553 0 40 EDAB CCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2nccc(N)n2)cc1 585135009 TXJININDWVOSEG-JTQLQIEISA-N 349.416 1.447 0 40 EDAB Cc1cc2ncc(C(=O)Nc3cnn(C(C)(C)C(=O)O)c3)c(C)n2n1 262693740 CXGGDVDZQCSHIP-UHFFFAOYSA-N 342.359 1.615 0 40 EDAB CO[C@H]1[C@H]2OCO[C@@H]2C[C@@H]2[C@H]1CN([C@H](C)c1ccccc1)C[C@@H]2O 261829896 XURKOQQWNGJKKI-CWMWYVAESA-N 333.428 1.817 0 40 EDAB CN(C)c1cc(C(=O)N2CCOC[C@]23CCOC3)nc2ccccc12 291476010 MEIQIQRXLMYKAW-LJQANCHMSA-N 341.411 1.932 0 40 EDAB O=C(Nc1cc(-n2cncn2)ncn1)c1cncc(Br)c1 96025253 QISMTJXPFMFCIB-UHFFFAOYSA-N 346.148 1.467 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@H](OCCO)c1ccc(C)cc1 96337617 QXVVNGMPUXTWGW-HNNXBMFYSA-N 333.388 1.217 0 40 EDAB CN(C)CCC(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575402711 AYVQYQVGSHQVMM-INIZCTEOSA-N 328.416 1.625 0 40 EDAB O=C(NCCn1nc2c(cc1=O)CCC2)Nc1c(F)cccc1F 575608094 LSTVCNLWCASJKZ-UHFFFAOYSA-N 334.326 1.832 0 40 EDAB CC[C@@H](C)Oc1cc(CNC(=O)N2CCO[C@H](C(=O)O)C2)ccn1 666539985 CPWMUFYOARZCRW-YPMHNXCESA-N 337.376 1.254 0 40 EDAB CC1CC(N(C)C(=O)c2nc3c(o2)CCN(C(=O)[C@H]2CCCO2)C3)C1 585111710 GKFNCJVMBRVHBT-KOHJWAIASA-N 347.415 1.609 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)c1cccc2ncccc12 585278690 QQIHBYCHTSCMDC-SFHVURJKSA-N 327.384 1.731 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC(F)(F)C[C@@]3(CCNC3=O)C2)cc1 585093249 LQWIZZPHZZQBAI-AWEZNQCLSA-N 344.383 1.531 0 40 EDAB CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)NCc1ccc(CO)cc1 585280970 RACOUFMBQDHAHL-IAGOWNOFSA-N 334.416 1.069 0 40 EDAB CC(C)[C@@H](C)N(C(=O)CNC1=NS(=O)(=O)c2ccccc21)C1CC1 57341274 CBIXIFBKCNZAOM-GFCCVEGCSA-N 349.456 1.761 0 40 EDAB CCOCCN1CCN(Cc2nnnn2-c2ccccc2)C[C@@H]1CC 69840583 VVWWGGWHNBLGOB-INIZCTEOSA-N 344.463 1.595 0 40 EDAB COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 65517555 JMCCSRKIWYFKSU-RISCZKNCSA-N 334.347 1.343 0 40 EDAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NCC(F)(F)F)CS2 85473896 XCAXQQYACIGSOV-QMMMGPOBSA-N 335.351 1.515 0 40 EDAB CC(C)S(=O)(=O)NC[C@H]1CCCN(CCN2CCCCC2)C1 77273920 YSNGWCFZQFKNHF-MRXNPFEDSA-N 331.526 1.512 0 40 EDAB C[C@@H](O)CN(C)C1CCN(C(=O)c2ccc3c(c2)nc(O)n3C)CC1 548704695 WHGMMQYWYNZBLK-GFCCVEGCSA-N 346.431 1.196 0 40 EDAB NC(=O)[C@@H]1CCN(Cc2cc(Br)cc3c2OCC3)C1 97379075 PWXVWOZIBNVLGY-SNVBAGLBSA-N 325.206 1.691 0 40 EDAB CCNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CC)CC1 1616046209 SOTRXZQVJMRYKL-MRXNPFEDSA-N 332.448 1.081 0 40 EDAB COc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2)cc1F 5177068 LSMKZDAHWWSSEE-UHFFFAOYSA-N 345.326 1.990 0 40 EDAB O=C1c2cccc3cccc(c23)C(=O)N1CCCN(CCO)CCO 5662602 DVRSUFQPSWBLIR-UHFFFAOYSA-N 342.395 1.113 0 40 EDAB CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1F 11566099 FNYOYEPUQZFJJU-UHFFFAOYSA-N 330.381 1.077 0 40 EDAB Cn1nccc1CN1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 19692514 KQQGUZSIJSTBOO-GOSISDBHSA-N 336.399 1.846 0 40 EDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 169363838 GENUUNAQQVCPOX-WCVJEAGWSA-N 327.336 1.731 0 40 EDAB Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3c(C)noc3C)C2)nn1 225431472 VKLWRFINIPAPBY-LBPRGKRZSA-N 338.389 1.232 0 40 EDAB CCc1cnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)nc1 1888890487 GGJCKADDSIAZTA-UHFFFAOYSA-N 336.403 1.341 0 40 EDAB CSc1nccc(N2CCC(NS(=O)(=O)C3CC3)CC2)n1 1889104413 QUXRSOGUGKLDJW-UHFFFAOYSA-N 328.463 1.249 0 40 EDAB O=C(NCC1CC1)[C@@H]1C[C@]12CCN(C(=O)Cc1ccc(F)cn1)C2 1565547163 LLVXQERTUZZJBW-YJBOKZPZSA-N 331.391 1.528 0 40 EDAB COCCN1CC2(CCN(C(=O)CC3(OC)CCC3)CC2)CC1=O 1565544269 CTPQOLJCRNNHDP-UHFFFAOYSA-N 338.448 1.433 0 40 EDAB Cc1ccc(CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)cc1 4138843 DZRRETYTCHQKAC-UHFFFAOYSA-N 342.424 1.936 0 40 EDAB CC[C@@H](C(=O)OC)n1cnc2c(nnn2-c2cccc(F)c2)c1=O 5056684 INDRARGWSZPGFM-NSHDSACASA-N 331.307 1.240 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)CC2=CCCCC2)C1 2055772133 ZZPMGLGGVUPDGC-GOSISDBHSA-N 330.432 1.837 0 40 EDAB CCN1CCN(C)C2(CCN(C(=O)c3csc(C)n3)CC2)C1=O 2055812401 IBUWUIGEZHMJIB-UHFFFAOYSA-N 336.461 1.220 0 40 EDAB COc1ccccc1-c1ccc(=O)n(C2CN(c3ccncn3)C2)n1 1775974211 DFVYFTBSOAFSGB-UHFFFAOYSA-N 335.367 1.770 0 40 EDAB O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)NC[C@H]1CCCO1 49026250 XSMDATYAZCNZLJ-CQSZACIVSA-N 337.807 1.877 0 40 EDAB Cc1c(C(=O)Nc2cnn(CCO)c2)cnn1-c1ccccc1F 66381415 ZHIIBJJXTQOKKK-UHFFFAOYSA-N 329.335 1.761 0 40 EDAB NS(=O)(=O)N1CCc2ccc(NC(=O)Cc3ccc(F)cc3)cc21 58551330 KPWUAFDJRHWPDN-UHFFFAOYSA-N 349.387 1.573 0 40 EDAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCOCC2)cc1 4835947 LIPCBUCULKICSK-UHFFFAOYSA-N 332.429 1.835 0 40 EDAB Cc1csc(=O)n1CCC(=O)N1CCN(Cc2ccco2)CC1 40477353 WEIRFMRXZMHEJS-UHFFFAOYSA-N 335.429 1.546 0 40 EDAB N=c1nc2n(c(=N)[nH]1)NC(c1ccc(Br)cc1)=CS2 3157423 NUVFWEDPSAWBNF-UHFFFAOYSA-N 337.206 1.580 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 100782846 BYQCVPVOMQHLMH-GVAFMPQTSA-N 344.436 1.822 0 40 EDAB CC(C)(CNC(=O)c1cn(-c2ccccc2)nn1)N1CCOCC1 40506271 JEIQTQJRHRMOIN-UHFFFAOYSA-N 329.404 1.108 0 40 EDAB CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)N2 31815014 ZPMMGVKFEVTZPE-GFCCVEGCSA-N 342.359 1.321 0 40 EDAB COC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4385908 PVTJDUYZYJQGNC-SIIHOXLZSA-N 345.399 1.410 0 40 EDAB CC[C@@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(OC)cc2)C1 20567594 URZRUZZKRXJVLJ-LLVKDONJSA-N 330.388 1.518 0 40 EDAB CC(C)NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 4995815 MPYPQQIWZQXWNF-UHFFFAOYSA-N 349.250 1.740 0 40 EDAB C[C@H](O)CN[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O 6470909 JVJYUFFZXWVCFX-CPCISQLKSA-N 335.187 1.746 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1 6818416 OBRBRRBFXPKODG-UHFFFAOYSA-N 340.430 1.707 0 40 EDAB O=C(NCCCN1CCOCC1)c1ccn(-c2ccccc2Cl)n1 51340621 IOLMCJLOOSZFAF-UHFFFAOYSA-N 348.834 1.978 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)[C@H]1CCCN(c2ncccn2)C1 32005800 VQQHOGULAWRLOC-JKSUJKDBSA-N 338.411 1.813 0 40 EDAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)NC2=NC(=C(C)C)NN21 10152988 YUDIQRKOTVMVAU-GFCCVEGCSA-N 343.387 1.258 0 40 EDAB Cc1csc(CN(C)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 101174989 XPFYAFQOWNAWDZ-GVARAGBVSA-N 345.424 1.217 0 40 EDAB COc1cc(S(=O)(=O)N2CC(=O)Nc3ccccc32)ccc1F 8479854 KNYMQAAMROFSDD-UHFFFAOYSA-N 336.344 1.982 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC(C(N)=O)CC3)cn2)n1 32656162 AFVJVNHFPACMEM-UHFFFAOYSA-N 327.388 1.222 0 40 EDAB CC(=O)N[C@H](CC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(C)cc1 32879683 CSSPGZUHEFCRGA-MRXNPFEDSA-N 347.459 1.935 0 40 EDAB CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1cccnc1 406837 BNMZUEWEZLLTGR-GFCCVEGCSA-N 328.324 1.601 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCCNC(=O)c1ccc(Cl)cc1 32909918 ZAOWXQRXGAJJJN-UHFFFAOYSA-N 334.807 1.850 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@H](C(N)=O)Oc3cc(C)ccc32)cc1 21721056 OOFSOSFGSUYAKH-MRXNPFEDSA-N 346.408 1.745 0 40 EDAB O=C(NCc1cccs1)C(=O)Nc1ccccc1C(=O)NC1CC1 408708700 LBNUJTNQVYLGFB-UHFFFAOYSA-N 343.408 1.895 0 40 EDAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1ccc2c(c1)OCO2 22769581 HUTBUWFKEQEJRW-AWEZNQCLSA-N 344.367 1.812 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H](C)O1 26990505 FIZLUQBBOWOFEV-AOOOYVTPSA-N 331.821 1.993 0 40 EDAB Cc1ccc(NC(=O)C[C@H]2SC[C@H](C(=O)O)NC2=O)cc1Cl 20635159 LBCKTRXINOULKV-GHMZBOCLSA-N 342.804 1.662 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(C)C2)c(OC)c1 46321578 BMWGETNYVKHLOR-WFASDCNBSA-N 332.400 1.846 0 40 EDAB C[C@@H](NC(=O)NC[C@H](O)c1ccc(F)c(F)c1)c1nncn1C 46498576 ILBHKUDAHYEHMJ-PELKAZGASA-N 325.319 1.187 0 40 EDAB CC(C)Cc1nnc(NC(=O)c2cccc(-n3cnnn3)c2)s1 22921595 FQSRAQIANONPCO-UHFFFAOYSA-N 329.389 1.965 0 40 EDAB CCOCCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 25440170 OHBOAOHLDMXXJG-UHFFFAOYSA-N 348.852 1.649 0 40 EDAB CCN1CCN(c2ccccc2NC(=O)N[C@H]2CCN(C)C2)CC1 54383287 RQQRQPZXOVFLCT-HNNXBMFYSA-N 331.464 1.654 0 40 EDAB CN(Cc1cccc(Cl)c1Cl)CN1C(=O)C(=O)N(C)C1=O 23384253 PDINEAQDYUGICH-UHFFFAOYSA-N 330.171 1.803 0 40 EDAB C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C[C@H](C)O1 23717648 HOPWOKJLXPABIV-RYUDHWBXSA-N 349.822 1.968 0 40 EDAB O=C(CN1CCC[C@H]1C(=O)NC1CC1)NCc1cccc(Cl)c1 54985810 WKXZMPIOSSSLJP-HNNXBMFYSA-N 335.835 1.699 0 40 EDAB COC(=O)C1=C(C(=O)OC)[C@]2(C)O[C@]1(C)[C@H]1[C@H]2[C@@]2(C)C=C[C@@]1(C)O2 104044049 KTHANJVAENJFAJ-RUQDAACESA-N 334.368 1.540 0 40 EDAB C[C@H](NC(=O)NCCNc1ncccn1)c1ccc2c(c1)CC(=O)N2 47057203 YNYTVOYBDJNBTD-NSHDSACASA-N 340.387 1.444 0 40 EDAB CC(C)N(Cc1ccccc1)C(=O)CSc1nc(N)nc(N)n1 4921597 PLAUZEHTAJHKEQ-UHFFFAOYSA-N 332.433 1.565 0 40 EDAB CC(C)c1cc(NC(=O)CCNS(=O)(=O)c2cccs2)[nH]n1 63111573 WBXFKJQPYHUVDD-UHFFFAOYSA-N 342.446 1.902 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)C[C@@H]2C=CCC2)CC1 55551124 IPCQVIDYAWDXKM-CQSZACIVSA-N 329.466 1.074 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)Nc2cccc3c2OCCO3)cc1 55685604 PYTNDIIDTLHYSQ-UHFFFAOYSA-N 335.337 1.957 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCc2ccnc(N3CCOCC3)c2)c1 25290859 NDWREHMXKAXCIV-UHFFFAOYSA-N 328.372 1.379 0 40 EDAB CN1CCC[C@H]1c1nc(C(=O)N2CC[C@@H](N(C)C)C2)c2ccccn12 306131420 KDWOQIDFHNRTGG-ZBFHGGJFSA-N 341.459 1.877 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccoc2)c(Cl)c1 57008822 SHUXOAHVOFXUBG-UHFFFAOYSA-N 342.804 1.950 0 40 EDAB NC(=O)[C@@H]1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)C1 57139200 IWIGPESXGKZCAV-SNVBAGLBSA-N 326.335 1.242 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(C)C)cc1 408590994 HQWKSVFNVDVMID-LBPRGKRZSA-N 328.434 1.524 0 40 EDAB Cn1ccc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)n1 44357767 JCZPKKMHRYXTCS-UHFFFAOYSA-N 329.335 1.676 0 40 EDAB CN(CCN1C(=O)NC(C)(C)C1=O)C[C@@H]1COc2ccccc2O1 26922428 MUSIJZFNKKVGHY-GFCCVEGCSA-N 333.388 1.089 0 40 EDAB Cc1cc(Nc2cnn(CC(=O)NC3CCCC3)c2)n2ncnc2n1 57854633 MYCLAQUJUDRZAM-UHFFFAOYSA-N 340.391 1.432 0 40 EDAB O=C(CN1C(=O)NC2(CCOCC2)C1=O)c1ccc2c(c1)CCC2 57935899 HUVSUIHRLLYDJB-UHFFFAOYSA-N 328.368 1.459 0 40 EDAB Cc1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c1C 37867454 UKNWPUNPCQDPRV-ASZJLXIDSA-N 343.379 1.983 0 40 EDAB COc1ncccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 44954528 NQGIPASTTQSCDZ-GFCCVEGCSA-N 326.356 1.472 0 40 EDAB CO[C@@H](C)C(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 44979492 PYZTYDUAQPXKGY-CZAWJFPGSA-N 338.429 1.166 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccnc(-n2cccn2)c1 44977330 NTRHXAQCCWWGJZ-GFCCVEGCSA-N 339.355 1.295 0 40 EDAB CC(C)N1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 44909416 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EDAB Nc1nc(S[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)n[nH]1 39383553 QXOFANYTPCOLSF-RYUDHWBXSA-N 333.417 1.516 0 40 EDAB COCCN1CCCN(C(=O)NC[C@H]2Cc3ccccc3O2)CC1 65439561 GKKRHHZBVROJCF-MRXNPFEDSA-N 333.432 1.354 0 40 EDAB Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)N(C)C)N2CCOCC2)o1 65444359 ZOTYOIWAJXEBAN-UKRRQHHQSA-N 338.452 1.211 0 40 EDAB NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)/C=C/c2ccco2)c1 65523462 SKHJPIMDWFZNHS-GQCTYLIASA-N 345.330 1.676 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCC(CC(N)=O)CC1)c1cccs1 65566173 VDKNKLAESMYRFE-CYBMUJFWSA-N 338.477 1.648 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CC[C@@H](C(N)=O)C1 65515764 KWPXVUYJTHHISI-OAHLLOKOSA-N 340.427 1.756 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)C[C@@H]3CCCO3)CC2)n1 69493195 SAJBARRFLLCMHV-AWEZNQCLSA-N 334.420 1.401 0 40 EDAB O=C(CC(F)(F)F)N1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 69492526 CLAUNSBDQKAEQJ-CYBMUJFWSA-N 342.317 1.613 0 40 EDAB CCc1noc([C@@H](C)N2CCN(CC(=O)NCc3ccco3)CC2)n1 69421229 XPRCLAQQJQCZHV-CYBMUJFWSA-N 347.419 1.220 0 40 EDAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3c[nH]c(=O)[nH]3)c2)n1 71792995 BKONIZOQPPZNSL-UHFFFAOYSA-N 325.328 1.268 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cncn1)N1CCc2ccccc2C1 69534912 APFFNIXPPCTIGY-KRWDZBQOSA-N 325.416 1.327 0 40 EDAB CCN(CC(=O)N1CCN(C(C)=O)CC1)Cc1ccc(Cl)cc1 69521786 MEBDXSWVOPFZSK-UHFFFAOYSA-N 337.851 1.853 0 40 EDAB Cc1nnc2n1CCN(C(=O)Cc1ccc(N3CCCC3=O)cc1)C2 69592308 PAFMENUXGDWQRL-UHFFFAOYSA-N 339.399 1.298 0 40 EDAB COC(=O)c1cc(Cl)c(NC(=O)NCC[S@@](C)=O)cc1OC 69596367 GNOQCVUCIKFFSQ-QFIPXVFZSA-N 348.808 1.635 0 40 EDAB COC(=O)[C@H](NCC(=O)NC1CCCC1)c1cc(F)ccc1F 69664387 UEDAZHCUPVMZOK-OAHLLOKOSA-N 326.343 1.827 0 40 EDAB C[C@H](Cc1ccccc1F)C(=O)NC1CCN(S(C)(=O)=O)CC1 96414252 XSXNMPBQZRPPGI-GFCCVEGCSA-N 342.436 1.545 0 40 EDAB CCc1cc2c(N(C)C[C@@H](O)CN3CCN(C)CC3)ncnc2s1 69702494 KIAMCPLSVRADPE-CYBMUJFWSA-N 349.504 1.298 0 40 EDAB CCOCCN1CCN(C[C@H](O)CN2CCC(C)CC2)C[C@@H]1C 69706762 AKKNGPIBEYLNCI-ZWKOTPCHSA-N 327.513 1.122 0 40 EDAB O=C(CSc1cccc[n+]1[O-])c1c[nH]c(C(=O)N2CCCC2)c1 8748279 MNMTUESGZYNZBY-UHFFFAOYSA-N 331.397 1.859 0 40 EDAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(cnn2C)c1=O 8848470 TXVAIMWOBDAFJQ-UHFFFAOYSA-N 331.763 1.731 0 40 EDAB NC(=O)c1cccc(C(=O)N2CCC(Nc3cccnn3)CC2)c1 71863364 ZLBSDHVTYYANMQ-UHFFFAOYSA-N 325.372 1.292 0 40 EDAB COC(=O)Nc1cccc(C(=O)N(C)CCCN2CCN(C)CC2)c1 71896522 FGRSIANRIMPJSD-UHFFFAOYSA-N 348.447 1.574 0 40 EDAB CC(C)c1nnc2n1CCN(Cc1nc(-c3cccnc3)no1)C2 71877628 IKSGGWYRTVFEKU-UHFFFAOYSA-N 325.376 1.862 0 40 EDAB NC(=O)CN(C(=O)Cc1ccc(N2CCCC2=O)cc1)C1CCCC1 71821105 XVKBBPOJCGOGHY-UHFFFAOYSA-N 343.427 1.612 0 40 EDAB CS(=O)(=O)[C@@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1 96098088 PUPVTORSFFWNOH-OAHLLOKOSA-N 337.441 1.380 0 40 EDAB CC(C)(C)OC(=O)N1CCN2C(=O)c3ccccc3NC(=O)[C@@H]2C1 96032944 RBQBODIFHSSVNQ-ZDUSSCGKSA-N 331.372 1.700 0 40 EDAB C/C(=C\C(=O)N1CCCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 96291641 VQVDPGIZEVBJHK-OUKQBFOZSA-N 340.420 1.723 0 40 EDAB O=C1C[C@H](c2ccco2)Cc2nc(N3CCN(CCO)CC3)ncc21 19938249 YVULIILDTHWOGM-CYBMUJFWSA-N 342.399 1.097 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](Cn2c(-c3ncccn3)noc2=O)C1 71916390 NYEFRRZNXYEAPW-NSHDSACASA-N 347.375 1.550 0 40 EDAB O=C(OCC(=O)N1CCCC1)[C@H](O)c1ccc(Br)cc1 71914241 XJHPSOJVECBYIA-CYBMUJFWSA-N 342.189 1.648 0 40 EDAB C[C@@H](C(=O)NC1CCCCC1)[S@](=O)Cc1cccc(C(N)=O)c1 83966948 AUXXCWLMFBPKBJ-MYODQAERSA-N 336.457 1.872 0 40 EDAB COc1ccc(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c(F)c1 89756666 DOSALKDPHNYLDX-AWEZNQCLSA-N 346.362 1.493 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)ccc1=O 72282706 FDCZLAFPCUZEDX-ZDUSSCGKSA-N 329.404 1.786 0 40 EDAB CC[C@H](C)[C@H](O)CNC(=O)Nc1ccc(CS(C)(=O)=O)cc1 72289442 DOQGIMOOIVGDKT-SMDDNHRTSA-N 328.434 1.760 0 40 EDAB COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OC(C)(C)C 72233751 UCDILZVSBMKGTE-QWRGUYRKSA-N 329.393 1.984 0 40 EDAB COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@H](C)CN1CCN(C)CC1 72270050 STKMBQFVBMCLLA-HZPDHXFCSA-N 348.491 2.000 0 40 EDAB CC[C@H](NC(=O)Cc1ccn[nH]1)[C@H]1CN(Cc2ccccc2)CCO1 89942892 JEJTZZCBTHERET-ZWKOTPCHSA-N 342.443 1.748 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H]3C[C@@H]3C(=O)O)cc2)n1 97017633 MLVQUPVYSSLAON-HOTGVXAUSA-N 327.384 1.869 0 40 EDAB Cc1nc(CN(C)C(=O)Nc2cnn(CCN3CCCCC3)c2)no1 97080995 KGUWFUSSJKKNFC-UHFFFAOYSA-N 347.423 1.724 0 40 EDAB CC(C)(C)OC(=O)NC(COC(=O)C1CC1)COC(=O)C1CC1 84200515 GRWFAFPLHOQKQJ-UHFFFAOYSA-N 327.377 1.786 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN(CC(=O)Nc3cccnc3)C2)o1 84258760 CEMGDVJLBMWYJH-HNNXBMFYSA-N 329.404 1.523 0 40 EDAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC[C@@H]1CCC[C@@H]1O 72301328 UHLCDJOZKVYWSU-AAEUAGOBSA-N 325.792 1.931 0 40 EDAB C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2cnn(CC(N)=O)c2)C1 72305928 FDIWHAZJNGHESG-ZBEGNZNMSA-N 337.424 1.067 0 40 EDAB CNC(=O)CC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)CC1 72525144 RVUNQODAEMAGIQ-CVEARBPZSA-N 347.463 1.925 0 40 EDAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1c[nH]ccc1=O 84615033 UAIFIBCCEYEFCE-JKOKRWQUSA-N 336.417 1.039 0 40 EDAB CCn1nc(C)cc1C(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O 76498092 WLOLZOJZNIPOJJ-GXTWGEPZSA-N 327.450 1.639 0 40 EDAB CN(Cc1nnc(C2CC2)o1)[C@H]1CCN(CCCc2cnn(C)c2)C1 95402394 HPFQXWDIZWOISM-INIZCTEOSA-N 344.463 1.819 0 40 EDAB Nc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2CO)cc1Cl 95432946 ORTWGDGNCXBXPU-ZETCQYMHSA-N 325.217 1.721 0 40 EDAB CC(C)(C)C(=O)NCCC(=O)Nc1cc(C(=O)O)cc([N+](=O)[O-])c1 95425134 KTKFZSBQQAAUBQ-UHFFFAOYSA-N 337.332 1.784 0 40 EDAB CC(C)CCC[C@@H](C)NC(=O)CN1C(=O)N[C@@]2(CCOC2)C1=O 95439407 BPDHLIJTQMSBAS-MLGOLLRUSA-N 325.409 1.028 0 40 EDAB O=C(c1ccc2nnnn2c1)N1CCC[C@@H](N2CCCCCC2)C1 95411729 OYRNBCZLQKFWNL-OAHLLOKOSA-N 328.420 1.605 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(-c3nnco3)cc2)CC1 78604112 VVWNOBGMRIGOIX-GFCCVEGCSA-N 344.371 1.195 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ccc(Cc3nnn[nH]3)cc2)cc1 78714647 LFRGAPRYNWDTRP-UHFFFAOYSA-N 345.384 1.600 0 40 EDAB Cc1cnn(CCC(=O)N2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)c1 78889258 GCVHGUQSNBLMJL-CYBMUJFWSA-N 332.408 1.423 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)COCC(F)(F)F)CCO2)n1 78889493 SWVINSSXZDPYPJ-SECBINFHSA-N 336.314 1.407 0 40 EDAB C[C@@H](C(=O)N[C@H]1CCN(C(N)=O)C1)c1ccc(Br)cc1 95980904 YYPZMIFOYZJUIZ-SKDRFNHKSA-N 340.221 1.822 0 40 EDAB C[C@@H](CCc1cccn1C)NC(=O)N1CCC[C@H]1CN1CCOCC1 74744576 CLSCHJJLMBAUPF-WMZOPIPTSA-N 348.491 1.852 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 409299490 ZYYVRJIQRXHSBZ-UMPJEAMMSA-N 347.754 1.716 0 40 EDAB CCCNC(=O)CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 36593684 XIGDYAZXWWTVGV-GFCCVEGCSA-N 347.371 1.347 0 40 EDAB CCCCNc1ccc(S(=O)(=O)NCCCOC)cc1C(=O)O 217599791 GKIIEHCMBOFXOO-UHFFFAOYSA-N 344.433 1.912 0 40 EDAB Cc1nc(C(=O)N(C)[C@H]2CCC(=O)N(C)C2)nn1-c1ccc(F)cc1 562857919 JCPYSGKJCJYYLI-AWEZNQCLSA-N 345.378 1.408 0 40 EDAB Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)c1 187411064 XRQWIRKKPLFTGF-CMPLNLGQSA-N 346.246 1.973 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)CCc2cccc(F)c2)n1 78028689 NSUPSRVCJOEWJZ-UHFFFAOYSA-N 339.392 1.638 0 40 EDAB C[C@@H]1CCN(C(=O)NCCn2c(=O)oc3ccccc32)C[C@H]1C(=O)O 564925159 IYFRYCBJUDRYIX-VXGBXAGGSA-N 347.371 1.347 0 40 EDAB COCCNc1ccc(C[C@H]2CCCN(Cc3cncn3C)C2)nn1 72387335 HVYLTANPFHSGDL-OAHLLOKOSA-N 344.463 1.723 0 40 EDAB CC(C)(C)c1ccc(CCNC(=O)N2CCS(=O)(=O)CC2)cc1 78446770 WSKCAUOZAOADFA-UHFFFAOYSA-N 338.473 1.967 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)c1ccoc1)Oc1ccc(F)cc1 560416092 ZYLPVSFRQLVQGO-LBPRGKRZSA-N 329.305 1.229 0 40 EDAB CCN1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 60510969 HVTUDJBZJWUDFX-ZDUSSCGKSA-N 340.445 1.611 0 40 EDAB CC1(C)OCC2(CO1)CN(S(=O)(=O)Cc1cccc(F)c1)C2 70972164 LWNZTVRRUMIEEY-UHFFFAOYSA-N 329.393 1.740 0 40 EDAB Cc1ccc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c(F)c1 84838919 IDMXIJKXSXCJGS-UHFFFAOYSA-N 340.420 1.821 0 40 EDAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)N1CCC(C(N)=O)CC1 225746218 JZHCIFGEGYQIOM-UHFFFAOYSA-N 327.384 1.034 0 40 EDAB CC1(C)CCC(S(=O)(=O)NCC(=O)NCc2ccco2)CC1 195579890 CYSHEOWGAJQBQI-UHFFFAOYSA-N 328.434 1.784 0 40 EDAB Cn1[nH]c(C2CCNCC2)nc1=NC(=O)c1ccsc1Cl 1579994028 NYQAKDRKVDBZMM-UHFFFAOYSA-N 325.825 1.671 0 40 EDAB COC[C@@H](C)CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 195572832 SUWULNCYHUGCNS-ZDUSSCGKSA-N 344.452 1.851 0 40 EDAB NS(=O)(=O)CC1CCN(C(=O)NCCC2=CCCCCC2)CC1 192590721 YDJFHVZQLQASIO-UHFFFAOYSA-N 343.493 1.977 0 40 EDAB Cn1cnc(C(=O)N2CCC3(CC2)C[C@@H](Nc2ncccn2)CO3)c1 96090001 JCWCAZJOGOBPSM-CYBMUJFWSA-N 342.403 1.086 0 40 EDAB CN(C)S(=O)(=O)CC(=O)N1CCCC[C@@H]1CCc1ccccc1 96502421 LTGIMZRBJHRVJO-MRXNPFEDSA-N 338.473 1.892 0 40 EDAB CN(C)CCN1CCN(C(=O)c2cscn2)Cc2cccnc21 96198835 WTYIKHUNOMELOV-UHFFFAOYSA-N 331.445 1.562 0 40 EDAB CN(C)C(=O)CN1C(=O)CCC12CCN(Cc1ccc(F)cc1)CC2 96228106 SMORBJULQRLTDA-UHFFFAOYSA-N 347.434 1.871 0 40 EDAB CC1(C)C[C@@H](C(=O)N(Cc2n[nH]c(=O)[nH]2)c2ccc(F)cc2)CCO1 95477414 NWKIXBBADOLIGA-NSHDSACASA-N 348.378 1.976 0 40 EDAB CN(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 96186269 PYYUVFPRAFXPHA-HZPDHXFCSA-N 333.407 1.479 0 40 EDAB O=C(O)[C@H]1C[C@@H](N2CCCC2)CCN1C(=O)c1ccc2c(c1)OCO2 96069053 OTNGRQRBEBYJPM-UONOGXRCSA-N 346.383 1.569 0 40 EDAB O=S(=O)(NCCOc1cccnc1)c1cc(F)c(F)c(F)c1 96428024 PNVMAIPNCKOCSM-UHFFFAOYSA-N 332.303 1.856 0 40 EDAB CN1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)c3ccnnc3)C2)C1=O 96063630 XMHIEKNFCCQMES-APWZRJJASA-N 336.395 1.565 0 40 EDAB Cc1ncccc1NC(=O)[C@@H]1COC[C@H]2CN(c3ccncn3)C[C@@H]12 96064484 ZUMIOTZNPSQHGI-RBSFLKMASA-N 339.399 1.518 0 40 EDAB Cc1cc(C(=O)N2CCCS2(=O)=O)c(C)n1-c1nccs1 96402342 NLAONBOOPWAWTD-UHFFFAOYSA-N 325.415 1.726 0 40 EDAB O=C(O)c1ccc(-c2nc(CN3CCn4ncnc4C3)co2)cc1 582850619 ACOKOAJSEGDVME-UHFFFAOYSA-N 325.328 1.647 0 40 EDAB O=C(NCCc1ccncc1)[C@@H]1CN(C2CCC2)Cc2ccnn21 247470649 FJBXEVYJYGGVRK-KRWDZBQOSA-N 325.416 1.546 0 40 EDAB CCc1nccn1C[C@H]1CCCN1C(=O)N[C@H]1CCc2ncnn2C1 530947914 PHDHBANMGOMTBA-UONOGXRCSA-N 343.435 1.226 0 40 EDAB COc1ccc([C@@H]2Cn3ccnc3CN2C(=O)Cn2cccn2)cc1 257246821 IVYXHNSPUZXTOK-INIZCTEOSA-N 337.383 1.872 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC[C@H](c3cncc(C)n3)C2)CC1 257315522 VBUNHXZABUZQJX-INIZCTEOSA-N 332.448 1.338 0 40 EDAB COc1cc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)ccc1F 583618223 STTZTMILMHMGAP-QGZVFWFLSA-N 348.378 1.740 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(Cc2c(C)nn(C)c2C)C1 583617932 KVQUSPLMCCZUEO-HIFRSBDPSA-N 341.419 1.437 0 40 EDAB CC(C)n1cc([C@@]2(O)CCN(CCOc3ccccc3F)C2)nn1 583618322 NUSNLMXFPQRQRU-QGZVFWFLSA-N 334.395 1.970 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 257296123 RBJIYDBFIOLQMH-AWEZNQCLSA-N 338.371 1.513 0 40 EDAB Nc1nccnc1C[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 257207433 BHSKIACIEVWQGK-NSHDSACASA-N 338.458 1.764 0 40 EDAB Cc1ccn(CCC(=O)NCc2cnc([C@@H]3CCCCO3)nc2)n1 257316897 VHMKGWZVFOZPJN-HNNXBMFYSA-N 329.404 1.930 0 40 EDAB Nc1ncnc2c1ncn2[C@H]1CCN(Cc2cncs2)CC[C@@H]1O 257276800 NVDPENQJLMRIMU-RYUDHWBXSA-N 345.432 1.063 0 40 EDAB O=C(CCn1cncn1)N1CCC[C@H](c2ncc3n2CCCC3)C1 253629980 ISYJQJAQHRNXSH-AWEZNQCLSA-N 328.420 1.607 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)C3CCOCC3)CC2)C[C@]1(C)CO 257340288 ZFJFDXFXKBDPRR-QGZVFWFLSA-N 338.448 1.025 0 40 EDAB CO[C@H]1CCCOC12CCN(C(=O)c1ccc(C)n(C)c1=O)CC2 257205850 BAVSRTDVMYJLTG-HNNXBMFYSA-N 334.416 1.494 0 40 EDAB CN([C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1ccc(F)cc1 257256770 KMUVZVUCMGKBHD-BZUAXINKSA-N 342.436 1.434 0 40 EDAB CCS(=O)(=O)N1CC(CNC(=O)N(C)[C@@H](C)C2CCCCC2)C1 252510212 ZEJWSSWFJIBGOZ-ZDUSSCGKSA-N 345.509 1.878 0 40 EDAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H](O)[C@]2(CCCO2)C1 257282647 OUQFNUBTZOQUIK-KBPBESRZSA-N 331.821 1.645 0 40 EDAB Cc1ccc(C(=O)O)cc1NC(=O)CCN1CCCS1(=O)=O 262209456 XRYDNIYVQFHIQB-UHFFFAOYSA-N 326.374 1.057 0 40 EDAB CCO[C@@H]1C[C@@](NC(=O)c2cnn3ccccc23)(C(=O)O)C1(C)C 262858082 YNNXZNUQVXEOSU-CXAGYDPISA-N 331.372 1.723 0 40 EDAB CCOc1ncccc1C(=O)N1CC[C@H](Oc2ncc(F)cn2)C1 390827340 GGWCRGFOWMKHHJ-LBPRGKRZSA-N 332.335 1.703 0 40 EDAB Cc1oncc1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 96025693 HIHBCEHBDGXSCU-UHFFFAOYSA-N 329.356 1.637 0 40 EDAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(S(=O)(=O)C2CCCCC2)C1 96103434 NLLLPXKIOFZMOB-CYBMUJFWSA-N 337.507 1.937 0 40 EDAB CC(=O)c1sc(NC(=S)N[C@@]2(C)CCS(=O)(=O)C2)nc1C 575425474 ZDVPWGUBCBROOR-LBPRGKRZSA-N 347.487 1.518 0 40 EDAB Cc1noc(CCC(=O)N2CC[C@@H](O)[C@H](Cc3ccccc3)C2)n1 585276474 LVTGKFFCHVLVJW-HZPDHXFCSA-N 329.400 1.763 0 40 EDAB Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 585289984 PJADMJYKXGKSQY-RRGVISTESA-N 329.404 1.127 0 40 EDAB COc1ncc(CN2CCOC[C@@](O)(COc3ccccc3)C2)cn1 585268952 FNPRSSCZPZOSBV-GOSISDBHSA-N 345.399 1.128 0 40 EDAB CC(=O)N1CC[C@H](CNS(=O)(=O)c2cnc3ccsc3c2)C1 585141921 IMVVEPUOZJUTDH-LLVKDONJSA-N 339.442 1.443 0 40 EDAB O=C(c1cc(O)ncn1)N1Cc2ccnn2CC[C@H]1COCC1CC1 585097834 RMXCCCCSCWFWJI-AWEZNQCLSA-N 343.387 1.220 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)c2cncnc2C)C1 585277812 PPHFVGWIYBCDEP-SFHVURJKSA-N 327.384 1.749 0 40 EDAB O=C(c1ccon1)N1CCn2c(Cc3cccc(F)c3)nnc2C1 585141193 RDQLGTPPNRNHBF-UHFFFAOYSA-N 327.319 1.652 0 40 EDAB CCOC[C@@H]1CN(C)C2(C1)CN(C(=O)COc1ccccc1OC)C2 585093914 PEYUCRFYMHRUNU-HNNXBMFYSA-N 348.443 1.643 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccccc1OC)C2 585103653 QQSPKXWBCVZTHN-HNNXBMFYSA-N 339.457 1.721 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CN(C(=O)CC2CC2)Cc2cncn21 585096219 ZIQBPLYFXDQOOR-INIZCTEOSA-N 339.399 1.278 0 40 EDAB COC(=O)C1CCN(c2cc(=O)n(-c3cccc(C)c3)c(=O)[nH]2)CC1 44019697 XJLAEYFVXZFIJH-UHFFFAOYSA-N 343.383 1.224 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(C[C@H](O)c2cccs2)CC1 49031431 OFYTYXOSLKKOJW-HNNXBMFYSA-N 349.456 1.773 0 40 EDAB O=c1[nH]c(CN2CCN(c3nccs3)CC2)nc2ccccc12 57589382 XJLQSOLFBOCSIB-UHFFFAOYSA-N 327.413 1.702 0 40 EDAB NS(=O)(=O)c1cc(C(=O)NCC2CC2)sc1Br 63501823 XDELSDZHSDOTOY-UHFFFAOYSA-N 339.236 1.298 0 40 EDAB CCCN(CC(=O)NC)S(=O)(=O)c1ccc(C(=O)OCC)cc1 55295688 ZUTQJOPPHFQEMA-UHFFFAOYSA-N 342.417 1.010 0 40 EDAB O=C(CCNc1ncccn1)NCCOc1ccc2c(c1)CCC2 58203375 RXEIMMCCGWNIQY-UHFFFAOYSA-N 326.400 1.963 0 40 EDAB CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)C(=O)c1ccc2c(c1)CCO2 1551459802 LSECLZNKYGRBPP-UKRRQHHQSA-N 328.372 1.384 0 40 EDAB O=C(/C=C/c1ccccc1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1 69538369 HXAABXZTUJOIBW-OFTJQPPSSA-N 334.441 1.077 0 40 EDAB COc1ccccc1Cc1noc(C2CN(CC(=O)NC3CC3)C2)n1 75156531 OFQWTFKLHFOQBF-UHFFFAOYSA-N 342.399 1.347 0 40 EDAB O=C(COc1ccc(Cl)cc1Cl)N[C@H]1C[C@@H](CO)[C@H](O)C1 85468869 JZFNZHUERANLRO-PTOFAABTSA-N 334.199 1.620 0 40 EDAB CCN(CC)C(=O)[C@@H](C)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 89967565 OUYPIYCQMMFSSV-GHMZBOCLSA-N 347.385 1.749 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](CN[C@H]2C(=O)NCC2(C)C)C2(CC2)C1 1615001059 KPJGYSYBMRPNDM-STQMWFEESA-N 337.464 1.748 0 40 EDAB Cn1c(CS(C)(=O)=O)nnc1N1CCC[C@@](C)(c2ccccc2)C1 1615587751 QYXFQIXQFCDGBC-QGZVFWFLSA-N 348.472 1.918 0 40 EDAB O=S(=O)(c1cnn(C2CCCC2)c1)N1CC(O)(C(F)(F)F)C1 1616031615 OXOLFLIJPAHPBI-UHFFFAOYSA-N 339.339 1.296 0 40 EDAB COc1ccccc1/C=c1\sc2nc(-c3ccco3)nn2c1=O 13150421 ARTRSUNPGSVXOL-LCYFTJDESA-N 325.349 1.967 0 40 EDAB COC(=O)Cc1c(C)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O 13611376 CRKUNOWHJJHHIV-UHFFFAOYSA-N 342.399 1.120 0 40 EDAB CCOc1ccc(NC(=O)C[C@H]2SC[C@H](C(=O)O)NC2=O)cc1 13636844 NDVYUEPRPPDNHX-VXGBXAGGSA-N 338.385 1.099 0 40 EDAB CCCCS(=O)(=O)N1CCN(Cc2cccc(OC)c2)CC1 14239765 HHFNLWPPKAONRD-UHFFFAOYSA-N 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COC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2c1cnn2C 96100090 ZDFWFKJDCAZZCC-GFCCVEGCSA-N 329.356 1.535 0 40 EDAB CNC(=O)c1cc2c(nc1N(C)C)CCN(c1ncc(C)cn1)CC2 96100422 KFAHOUZAPQWPLB-UHFFFAOYSA-N 340.431 1.211 0 40 EDAB Cn1ncc2c1CN(C(=O)c1ccncn1)C[C@@H]2COCC1CC1 96044655 RMKDNPYMYOSYBE-CYBMUJFWSA-N 327.388 1.376 0 40 EDAB c1cc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)ccn1 96226510 VOLWAHQYKVNHOE-GOSISDBHSA-N 325.416 1.743 0 40 EDAB COc1ccc(C(=O)Nc2nc[nH]n2)c(I)c1 96471960 RDECDDAVGFHRIH-UHFFFAOYSA-N 344.112 1.670 0 40 EDAB Cn1ncnc1CNC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 95460002 GKAQQQFTHAXHSW-JSGCOSHPSA-N 335.795 1.798 0 40 EDAB COc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nnn1Cc1ccccc1 96183492 ZSAOELYBXCKVNG-STQMWFEESA-N 330.388 1.584 0 40 EDAB COCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCN(c2ccccc2)C1=O 96472261 MYYRDXSEYBSLOI-GJZGRUSLSA-N 341.415 1.655 0 40 EDAB Cn1ccnc1CN1CCO[C@@H]2[C@@H](CNc3cccnc3)CC[C@H]21 248151502 UIMFYXXDDXGCSG-QGPMSJSTSA-N 327.432 1.907 0 40 EDAB 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Cc1cc(CC[C@@H]2CCCN2S(=O)(=O)N2CCOCC2)ccn1 257307681 SZUQCBUWCOAHFS-INIZCTEOSA-N 339.461 1.364 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1cncs1 257260235 LBXIRVCQTLWDEL-ZDUSSCGKSA-N 345.428 1.855 0 40 EDAB Cc1ncsc1-c1ccc(C(=O)NCCN2CCOCC2)cn1 257309101 TZNMRQOIDVCFOF-UHFFFAOYSA-N 332.429 1.576 0 40 EDAB CCc1cc2c(N3CCC(CS(N)(=O)=O)CC3)ncnc2s1 602613693 OPAFPJZTTXRYGR-UHFFFAOYSA-N 340.474 1.759 0 40 EDAB Cc1cccc(CN2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)c1 585112692 VIUDFRJRTFHKMZ-KRWDZBQOSA-N 348.472 1.688 0 40 EDAB Cc1cc(CN2CCn3c(COCC4CC4)nnc3C[C@H]2C)n[nH]1 585097459 KENNAFCUXPTPBE-CYBMUJFWSA-N 330.436 1.683 0 40 EDAB CCS(=O)(=O)NC[C@H]1CN(CCc2ccccc2)Cc2ccnn21 585112308 OIIJGXZBHPCUSF-KRWDZBQOSA-N 348.472 1.422 0 40 EDAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[C@H](C(N)=O)C1 53894632 RBZFGXJKVXYORC-ZDUSSCGKSA-N 329.425 1.990 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)[C@H]2CCNC2)c(Br)c1 71310314 HTNXDFCVVGPMLA-JTQLQIEISA-N 333.251 1.740 0 40 EDAB CCOC(=O)c1cc(N(C)CCC(=O)NC)cc(C(=O)OCC)n1 1616038648 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O=C(NCCNC(=O)c1nc(-c2ccccc2)no1)c1cccnc1 12377031 BOMLLCLKVMRLDZ-UHFFFAOYSA-N 337.339 1.291 0 40 EDAB O=C(NCC1CC1)c1noc2c1C[C@@H](NCc1nccs1)CC2 2055739374 TVFRXAYMNZBEPU-NSHDSACASA-N 332.429 1.918 0 40 EDAB O=S(=O)(NCCn1cc(-c2ccncc2)cn1)c1cccs1 575612310 ASLGAEMTADRYEO-UHFFFAOYSA-N 334.426 1.985 0 40 EDAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccno1 206793108 ZROOHHNSQBYPPN-CMPLNLGQSA-N 334.303 1.649 0 40 EDAB CCc1cnc(N2CCN(c3cccc(-n4cccn4)n3)CC2)nc1 2298053057 COPIFRSUJDPZBN-UHFFFAOYSA-N 335.415 1.946 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1 40039618 RELMWRYUBIVGJX-UHFFFAOYSA-N 339.399 1.075 0 40 EDAB CCN(CC)Cc1ccccc1CNC(=O)N1CC[C@@H](C(N)=O)C1 45184823 UYDVVZBMVYADEF-MRXNPFEDSA-N 332.448 1.545 0 40 EDAB O=C(NCc1nnc2n1CCCC2)NC[C@@H]1COc2ccccc2C1 45127400 CFMQUSWZJNGISU-CYBMUJFWSA-N 341.415 1.665 0 40 EDAB O=C(NCCN1CCCCC1)NCc1nncn1-c1ccccc1 45195538 IZADHNHINRKNPU-UHFFFAOYSA-N 328.420 1.552 0 40 EDAB CCN(CC)C(=O)CN(C)C(=O)C(=O)Nc1ccc(Cl)cc1 36394966 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C[C@H]1CCCCN1[C@@H](C)CNC(=O)c1ccc(CNC(N)=O)cc1 32731110 GEWDCEMDXZXOIJ-KBPBESRZSA-N 332.448 1.848 0 40 EDAB O=C(O[C@H]1CCOC1=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11547037 AAZMHMCIJGQATJ-AWEZNQCLSA-N 330.315 1.972 0 40 EDAB CCc1noc(CN2C(=O)N[C@](CC)(c3ccc(OC)cc3)C2=O)n1 29142672 MPFUHXQBVYSTRV-QGZVFWFLSA-N 344.371 1.998 0 40 EDAB CCn1c(S)nc2cc(C(=O)OCCCNC(C)=O)ccc2c1=O 102765689 UJZXLOAFDLSZSI-UHFFFAOYSA-N 349.412 1.388 0 40 EDAB COC(=O)CCCNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C 21902803 MPRRRLJXZKCCHC-ZDUSSCGKSA-N 326.418 1.572 0 40 EDAB O=C1NC(=O)[C@@H]2[C@@H](c3ccccc3F)NN(Cc3ccccc3)[C@H]12 102914541 FIYHYPXIGUPSJU-OAGGEKHMSA-N 325.343 1.528 0 40 EDAB C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@@H](C)O1 40487963 NYQXDTNXBBEGQL-GHMZBOCLSA-N 338.791 1.701 0 40 EDAB CN[C@H]1CCCN(S(=O)(=O)c2sccc2Br)C1 53202801 JIIIHIHYIGWIGL-QMMMGPOBSA-N 339.280 1.883 0 40 EDAB C[C@H](c1ccc2c(c1)OCO2)N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)O)[C@H]3C1=O 100918361 LCPQTKFZJSZOCI-GVDBJWDJSA-N 343.335 1.343 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 42501675 DFGJOODFHHOFNH-CYBMUJFWSA-N 343.383 1.822 0 40 EDAB CC[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H](C)S(C)(=O)=O 110631071 FYRODDTVCHCFIZ-HOCLYGCPSA-N 338.473 1.543 0 40 EDAB COCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100179979 TUFJQCMCRDPHPX-IZSNYMMISA-N 344.411 1.704 0 40 EDAB COc1ccc(C)cc1CN1CCN(C(=O)c2cnccn2)CC1 24082465 JFKNSFPEPNWVCV-UHFFFAOYSA-N 326.400 1.752 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)NCc1cccnc1-n1cccn1 24795758 FRNLEYQXSYVSLK-GFCCVEGCSA-N 339.355 1.295 0 40 EDAB O=C(c1cn(Cc2ccccc2)nn1)N1CCN(C(=O)C2CC2)CC1 25169974 BJMRCIKWTIVFFI-UHFFFAOYSA-N 339.399 1.021 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)CCCc1nc(C(C)(C)C)no1 25301429 GGKGPGIBIMDHFI-LBPRGKRZSA-N 336.436 1.817 0 40 EDAB Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3CCN2CCOCC2)o1 107198485 XRRVPOJGGBDNCM-DLBZAZTESA-N 333.432 1.095 0 40 EDAB COC(=O)C[C@H](NC(=O)CCSc1nnnn1C)c1ccccc1 56264434 NBNHDQVRNHKBRC-LBPRGKRZSA-N 349.416 1.113 0 40 EDAB CCCCN(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C 67404634 ZDPYUPIYKKYNRU-HNNXBMFYSA-N 341.477 1.252 0 40 EDAB COc1cccc(CC(=O)N2CCN(C(=O)C[C@@H]3CCCO3)CC2)c1 58210731 RBEKRDHJGHVDMT-KRWDZBQOSA-N 346.427 1.478 0 40 EDAB CS(=O)(=O)Nc1ccccc1C(=O)O[C@@H](C(N)=O)c1ccccc1 12521046 AANKKXNPFKSJTK-CQSZACIVSA-N 348.380 1.442 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(C(=O)c2ccccc2O)CC1 58225700 OXSSRCOZDRGMMO-UHFFFAOYSA-N 343.383 1.524 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)NC[C@H](O)c1cccc(F)c1 58278083 ZWWFDQZXESPGID-ZDUSSCGKSA-N 326.368 1.890 0 40 EDAB c1ccc(-n2nnnc2CN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1 44949099 ZBBZZFVASXYTLV-IRXDYDNUSA-N 343.431 1.822 0 40 EDAB C[C@@H]1CCCCN1S(=O)(=O)NC[C@@H]1COc2ccccc2O1 44910650 XFSYTDSYGIOAEB-CHWSQXEVSA-N 326.418 1.535 0 40 EDAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)NC(=O)NC1CC1 10394511 OAWJBJCFWTWMQD-SNVBAGLBSA-N 331.401 1.736 0 40 EDAB Cc1ccc([C@H](CNC(=O)CN2CSCC2=O)N2CCCC2)cc1 58344228 VEXSBPZURLFBKC-INIZCTEOSA-N 347.484 1.781 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1 58310953 IFZQEZZGNOWOTC-KYOSRNDESA-N 332.400 1.769 0 40 EDAB CCc1nc(CN(C)C(=O)CN(C)c2ncnc3[nH]cnc23)cs1 58343174 ZBLGWAYRGOJMOJ-UHFFFAOYSA-N 345.432 1.467 0 40 EDAB Cn1cc(-c2nc(C(=O)NCc3nnc4n3CCC4)cs2)cn1 45055404 LBTPFJSPTQPSJT-UHFFFAOYSA-N 329.389 1.011 0 40 EDAB C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)NC(=O)NC1CC1 12516046 BPURGPWKSMPLHX-RKDXNWHRSA-N 332.360 1.195 0 40 EDAB COc1ccc(S[C@H](C)C(=O)N(C)CCN2CCOCC2)cc1 69415750 ASJVSZSXBIAMOM-CQSZACIVSA-N 338.473 1.966 0 40 EDAB c1ccc(Cc2nnc(CN3CCO[C@@H](Cn4cccn4)C3)o2)cc1 69418091 XHIGIUCOLKYUQY-MRXNPFEDSA-N 339.399 1.758 0 40 EDAB O=C(NCCCn1cncn1)c1ccccc1OC[C@@H]1CCCO1 48288871 DCASWBNELCJFLL-AWEZNQCLSA-N 330.388 1.656 0 40 EDAB C[C@@H](Cn1cccn1)NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 69417277 FADNOUPVEUIPHT-KBPBESRZSA-N 341.415 1.625 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H](C)n1c(=O)oc3ccccc31)C2 69460198 BIGHKJBCLNSNKW-LLVKDONJSA-N 341.371 1.352 0 40 EDAB C[C@H](c1ccc(F)cc1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 12992623 HXOITYCSTIDJJO-BXUZGUMPSA-N 328.409 1.122 0 40 EDAB CC[C@@](C)(NC(=O)CNC(=O)c1ccccc1)C(=O)NC1CCCC1 3625920 ASDGTPJPMLOLQQ-LJQANCHMSA-N 345.443 1.760 0 40 EDAB COc1ccc([C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 13007219 LOBPKWPSCSTZKE-HIFRSBDPSA-N 325.430 1.943 0 40 EDAB COC(=O)[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 69568053 COOWHAKDGGGHSF-HNNXBMFYSA-N 337.339 1.306 0 40 EDAB COCCOc1cc2c(cc1CN[C@@H]1CCc3ncnn3C1)OCO2 69521153 PDKRCURJISFRRS-CYBMUJFWSA-N 346.387 1.137 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1nnn(-c3ccccc3)c1C)C2 69511123 ZRNOATWYXPIRTJ-UHFFFAOYSA-N 337.387 1.386 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 4069968 MKWOAXAEXKGAAG-UHFFFAOYSA-N 335.337 1.592 0 40 EDAB COCC(=O)N1CCC2(CC1)CN(C(C)=O)Cc1ccccc1O2 72394338 APRQJGMSEAHWSW-UHFFFAOYSA-N 332.400 1.435 0 40 EDAB CC(C)[C@@H](NC(=O)CNC[C@@H]1CN(C)CCO1)c1cccs1 69652995 JPKJJOHCSHULDR-CZUORRHYSA-N 325.478 1.482 0 40 EDAB Cc1nc([C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c2ccccc2)n[nH]1 69775590 AWGNGZAJJSBDIL-RISCZKNCSA-N 343.431 1.870 0 40 EDAB CCOC(=O)[C@@]1(C(F)(F)F)N=C(c2ccco2)OC(N(C)C)=N1 4207756 OQXGKHFDIGINTK-GFCCVEGCSA-N 333.266 1.796 0 40 EDAB CCC[C@]1(C)C(=O)NCCN1Cc1cc(OC)c2c(c1)OCCO2 189039187 XPAGOIMMCPMXAV-GOSISDBHSA-N 334.416 1.957 0 40 EDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 4411712 LJSJWUDXOOBDJN-UHFFFAOYSA-N 336.373 1.169 0 40 EDAB C[C@H](CNC(=O)NCCOc1ccc2c(c1)OCO2)N1CCCC1 65437509 ZBMJUTUNLSLNCZ-CYBMUJFWSA-N 335.404 1.578 0 40 EDAB O=C(COCCOc1ccccc1)Nc1nnnn1-c1ccccc1 65487892 YGTKLLMQHPNVCM-UHFFFAOYSA-N 339.355 1.696 0 40 EDAB CCOc1ccc(CN(C)S(=O)(=O)N2CCOCC2)cc1OC 65452380 ZISNQAOZSDDMQG-UHFFFAOYSA-N 344.433 1.103 0 40 EDAB Cc1nc(C(=O)Nc2ccnc(C(N)=O)c2)nn1-c1ccc(F)cc1 65530692 VLJRUDUDYLFPJH-UHFFFAOYSA-N 340.318 1.461 0 40 EDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@H](n2ccnc2)C1 69921930 HKXFCQGCOWHPRB-CVEARBPZSA-N 340.431 1.753 0 40 EDAB COc1cc(C(C)=O)ccc1OCC(=O)NC[C@@H](O)C1CCCC1 69951761 ZDFBHEJEEJAHOG-OAHLLOKOSA-N 335.400 1.944 0 40 EDAB COc1ccc(C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1F 5429401 PGNRBKARHLWEBC-UHFFFAOYSA-N 336.319 1.464 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Sc1nnnn1-c1ccc(C)cc1C 6651809 COKGVQTVPHEGIX-NSHDSACASA-N 348.432 1.605 0 40 EDAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(OC)c1 6755236 FUKIBRRYEHPVEC-CQSZACIVSA-N 336.413 1.678 0 40 EDAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1cccc(Cl)c1 8735563 ZLRIYENDXKJJKJ-UHFFFAOYSA-N 335.776 1.783 0 40 EDAB C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OC[C@@H]2CCN3CC[C@@H](OC1=O)[C@H]23 4817630 BTHCJHQOYFUIMG-APAQCFQISA-N 337.416 1.273 0 40 EDAB C[C@@H](Nc1cccc(NC(=O)CO)c1)C(=O)NC(=O)NC(C)(C)C 66582417 LIYYYSRARZYPPJ-SNVBAGLBSA-N 336.392 1.042 0 40 EDAB COC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)C2CCOCC2)cc1 66823751 JDUCTZIGGHGXCD-NSHDSACASA-N 349.387 1.735 0 40 EDAB O=c1[nH]ncc(NCc2ccc(CN3CCOCC3)cc2)c1Cl 15116862 LGFOGMBCSDRQGF-UHFFFAOYSA-N 334.807 1.868 0 40 EDAB CCNC(=O)NC(=O)CSc1nc(COc2ccc(C)cc2)n[nH]1 5927049 MEBSGVGLTCPPEK-UHFFFAOYSA-N 349.416 1.630 0 40 EDAB CCOC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 67471829 ZKQVXEPYKHOKCP-DLBZAZTESA-N 346.427 1.614 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 80295884 YJYZEPNHDKCHLU-HNNXBMFYSA-N 346.431 1.277 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 9460311 UOXZYBRQXODYCN-LBPRGKRZSA-N 334.800 1.720 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cccn1)NCc1ccc2c(c1)OCO2 71875447 INIAQFUFYDBDER-HNNXBMFYSA-N 342.399 1.393 0 40 EDAB c1cnnc(N2CCC[C@@H]2CNCc2ccc(-n3cncn3)cc2)c1 71877234 URSLDCBWDAVFGO-QGZVFWFLSA-N 335.415 1.816 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 71866007 YQVWKJCZVRHUEP-HUUCEWRRSA-N 341.477 1.786 0 40 EDAB O=C(CC1=CCCCC1)N1CCN(CCN2C(=O)CCC2=O)CC1 71883724 UFNBCGATABSTFL-UHFFFAOYSA-N 333.432 1.170 0 40 EDAB CC1CCN(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CC1 75133523 ONADGXLLYGJWNO-UHFFFAOYSA-N 340.445 1.910 0 40 EDAB CC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 75117791 UZUZQGYJJXZWHJ-UHFFFAOYSA-N 339.395 1.783 0 40 EDAB CN1C[C@@H](NC(=O)c2cnn(-c3ccccc3Cl)c2)CCC1=O 71915356 LHMWHZKZQFCFFN-LBPRGKRZSA-N 332.791 1.876 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(Br)cn1)[C@H]1CCCO1 71914120 SYGPNQAQGSQONZ-WCBMZHEXSA-N 335.223 1.690 0 40 EDAB O=C1NC2(CCCCCC2)C(=O)N1Cc1cc(=O)n2ccccc2n1 9739408 YSDWYYGKIOOAOI-UHFFFAOYSA-N 340.383 1.839 0 40 EDAB Cc1cccc(OCCNC(=O)N2CCN(c3ncccn3)CC2)c1 9869020 OTFSRCVHPINGDD-UHFFFAOYSA-N 341.415 1.696 0 40 EDAB O=C(NCC(=O)N(CCN1CCCC1)Cc1ccccc1)C1CC1 72277516 KDGNBOPBNGTZCA-UHFFFAOYSA-N 329.444 1.637 0 40 EDAB Cc1noc(CCCNS(=O)(=O)N2CCC[C@H]2c2ccco2)n1 84286688 JALUWJATOSRAIB-LBPRGKRZSA-N 340.405 1.575 0 40 EDAB CC(C)[C@H](NC(=O)c1scnc1C1CC1)C(=O)N1CCOCC1 89823924 VOFKSPWYXQPYTD-LBPRGKRZSA-N 337.445 1.634 0 40 EDAB CCCn1cc(NC(=O)N2CCN(c3ccnc(C)n3)CC2)cn1 97135464 FEYRDJWNGQWBMU-UHFFFAOYSA-N 329.408 1.746 0 40 EDAB CCOc1ncccc1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 97198875 YJSDIDGATKRGLO-GFCCVEGCSA-N 329.404 1.940 0 40 EDAB O=C(CN1CCN(C(=O)CC2CCCC2)CC1)Nc1ccncc1 75582514 GEMKUIRLYQVWMH-UHFFFAOYSA-N 330.432 1.745 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 95447902 ODUBORYAOPUWSO-DZGCQCFKSA-N 341.411 1.764 0 40 EDAB O=S(=O)(Cc1ccon1)N1CCN(c2nc3ccccc3[nH]2)CC1 95447167 SCDFCZXOGQABRG-UHFFFAOYSA-N 347.400 1.203 0 40 EDAB COc1ccc2cc(C(=O)N3C[C@H](C)[C@H](N4CCOCC4)C3)[nH]c2c1 76056215 CMGREMFEVUPBSW-SCLBCKFNSA-N 343.427 1.969 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 76046100 KIAJPLAZTACOEG-ZDUSSCGKSA-N 340.387 1.847 0 40 EDAB NS(=O)(=O)c1ccc(N2CCN(CCc3ccncc3)CC2)cc1 76198918 JSVZLTJWSFSSMZ-UHFFFAOYSA-N 346.456 1.094 0 40 EDAB O=C(Nc1ccn(Cc2ccccn2)n1)N[C@@H]1CCc2[nH]ncc2C1 95975250 KRLPHMZRDAVLDF-CYBMUJFWSA-N 337.387 1.729 0 40 EDAB O=C(O)c1ccc(OCCNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1 95991837 ALRSPVBZLGFWHA-AWEZNQCLSA-N 346.383 1.138 0 40 EDAB CCCS(=O)(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 95949197 VYHKJPXFGIQOLD-UHFFFAOYSA-N 338.355 1.357 0 40 EDAB CCOC(=O)[C@H]1CN(C(=O)c2ccco2)CCN1C(=O)c1ccco1 78879274 GELXBLZUQMRYBR-GFCCVEGCSA-N 346.339 1.403 0 40 EDAB COc1ncnc(N)c1CN[C@H]1CCN([C@@H](C)c2ccccc2)C1 79017917 NUZKVHZTLQPZEL-ZFWWWQNUSA-N 327.432 1.993 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N(CC(=O)O)Cc1ccccn1 547581581 WWLGDPCPCMCYQB-UHFFFAOYSA-N 338.360 1.805 0 40 EDAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(N)=O)n2C)c1 409128429 OTVUXCCSPDRDIZ-JTQLQIEISA-N 333.417 1.192 0 40 EDAB Cc1ccc(C)c(-n2ncc(NC(=O)C3(S(N)(=O)=O)CC3)c2C)c1 517345316 JFENMHBHCHTOSH-UHFFFAOYSA-N 348.428 1.557 0 40 EDAB CCCCn1c(O)nnc1SC[C@](O)(C(N)=O)c1ccccc1 521395134 OGOQWKGELAVSJK-OAHLLOKOSA-N 336.417 1.249 0 40 EDAB Cc1cncc(OCC[C@H]2CCOC3(C2)CN(C(=O)N(C)C)C3)n1 306126144 DOCWYABCEBQADC-AWEZNQCLSA-N 334.420 1.717 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)c1ccnc(N2CCN(C)CC2)c1 78998841 XBOZRIQWYKKNPR-AWEZNQCLSA-N 328.416 1.787 0 40 EDAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 214259992 CRFXNAQKUVGVOF-GXDHUFHOSA-N 346.408 1.890 0 40 EDAB O=C(O)CN1C(=O)N/C(=C/c2cccc(Br)c2)C1=O 210706848 ABQITCGNUVJTEW-WEVVVXLNSA-N 325.118 1.426 0 40 EDAB Cc1ncc(C(=O)N2CCC[C@H]2c2[nH]ncc2C(=O)N(C)C)cn1 72369265 JSANBEUZFJJTLL-ZDUSSCGKSA-N 328.376 1.187 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)c3cncc(F)c3)CC2)cn1 127298316 JSEHFIROXRZMPI-UHFFFAOYSA-N 345.378 1.236 0 40 EDAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccnc1)CC(=O)N2 31808989 CDGDUYMXPSUXAV-LLVKDONJSA-N 346.354 1.716 0 40 EDAB CC(C)N(C[C@H]1CCCN1C(=O)CN)C(=O)OCc1ccccc1 79412463 XAQGHXVYRUHYOP-MRXNPFEDSA-N 333.432 1.983 0 40 EDAB O=c1c2c3c(nn2cnn1Cc1noc(-c2ccccc2)n1)CCCC3 225585053 BYPSJENBPRSHDW-UHFFFAOYSA-N 348.366 1.868 0 40 EDAB COc1ccc([C@@H](NS(C)(=O)=O)C(=O)O)cc1Br 568084497 NPURBVCDDZXJEQ-SECBINFHSA-N 338.179 1.133 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 226687930 NMNORRYSZSPUHW-UHFFFAOYSA-N 332.809 1.425 0 40 EDAB C[C@H]1COCCN1[C@H](C)CN[C@@H]1CCS(=O)(=O)c2ccccc21 195568601 JRGBBMBWNQEOKL-IJEWVQPXSA-N 338.473 1.604 0 40 EDAB CC(=O)N1CCN(C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CC1 40538652 WBOGQCPUZWZOMS-UHFFFAOYSA-N 346.353 1.961 0 40 EDAB CC1(C)C[C@@H](NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)CCO1 85877744 PKEXSHISRBTSKO-SMDDNHRTSA-N 345.399 1.201 0 40 EDAB biogenic COc1cccc(C(=O)Nc2ccc(-n3cnnn3)c(OC)c2)c1 40266276 UYPBKYHFZYYNOX-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCC(c2nnc3n2CCC3)CC1 47258304 BVFICFWQNXCYTI-MRXNPFEDSA-N 325.416 1.630 0 40 EDAB O=C(NCC[C@@H](O)C(F)(F)F)[C@H]1CN(Cc2ccccc2)CCO1 195530780 JRDDFIHMAXGCJY-ZIAGYGMSSA-N 346.349 1.317 0 40 EDAB CCOCCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225947340 DFOKIIZSRFYCCY-CQSZACIVSA-N 346.424 1.349 0 40 EDAB Cc1nc(CN2CCOC[C@]3(CCCN(CCO)C3)C2)cs1 96229366 MWXRMNHHFDNOFY-INIZCTEOSA-N 325.478 1.358 0 40 EDAB CCC(=O)N1CCC2(CC1)C(=O)N(Cc1cccnc1)CCN2C 96230139 FVMZDMZNJCMYAH-UHFFFAOYSA-N 330.432 1.127 0 40 EDAB Cc1noc(C[C@@H]2CO[C@@H]3CN(C(=O)c4cc(C)oc4C)C[C@H]23)n1 96215658 WXJMENIRMQOLJP-BPLDGKMQSA-N 331.372 1.918 0 40 EDAB Cc1occc1CNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 96436202 QAHAHICBKYSAGJ-OAHLLOKOSA-N 326.352 1.723 0 40 EDAB Cc1occc1C(=O)N1C[C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2C1 96081606 ZBBUZWAKLXGTKE-HZPDHXFCSA-N 341.367 1.235 0 40 EDAB CN(C)CCN1CCc2c(nnn2C)[C@H]1COCc1ccccc1 96045325 DLMMIFWPYFLURH-QGZVFWFLSA-N 329.448 1.493 0 40 EDAB CS(=O)(=O)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 96112920 QWSAQRUCHPCYDX-LBPRGKRZSA-N 325.365 1.137 0 40 EDAB biogenic,in-vitro Cc1oncc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2c1cnn(C)c1 96186495 URXDOWWHOUUPQS-KBPBESRZSA-N 329.360 1.127 0 40 EDAB O=C(c1cnccn1)N1Cc2ccnn2C[C@H](COCC2CC2)C1 96189111 TVWGZYUOMXSAJY-CQSZACIVSA-N 327.388 1.372 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1nccn1C)C2 96230425 FGGOJKDXURDLDU-LJQANCHMSA-N 339.443 1.343 0 40 EDAB CN(C)c1ncnc2c1CN(Cc1nc(-c3cccnc3)no1)CC2 97200438 PZMURXRTRNHBBM-UHFFFAOYSA-N 337.387 1.546 0 40 EDAB Cn1ncnc1CNC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 95460001 GKAQQQFTHAXHSW-OCCSQVGLSA-N 335.795 1.798 0 40 EDAB O=C(c1ccccc1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1 96188737 UGDFGITVDVSOKD-OAHLLOKOSA-N 349.394 1.412 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N3Cc4cncnc4C3)CC2=O)cc1 96098280 WVVKAFFSORUEOT-GFCCVEGCSA-N 338.367 1.381 0 40 EDAB COC[C@@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1cccc(F)c1)C2 96220690 YMVVMNZUVFVNQB-XJKSGUPXSA-N 342.436 1.415 0 40 EDAB O=C1COc2ccccc2N1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 40553823 VHLLHYJSXYHDHK-UKRRQHHQSA-N 330.384 1.582 0 40 EDAB Cc1cnc([C@H](C)CNC(=O)c2nc(-c3cnccn3)no2)s1 583651763 SGIPISPONTWELL-MRVPVSSYSA-N 330.373 1.825 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Cn2cccn2)cc1 583616133 MWBMSCIYWCYOFX-AEFFLSMTSA-N 329.400 1.790 0 40 EDAB Cc1cc(CCC(=O)O)nc([C@H]2CCCN2CC2(O)CCOCC2)n1 257323501 WKLUSLGLPZBJCV-OAHLLOKOSA-N 349.431 1.481 0 40 EDAB C[C@]1(O)CN(C(=O)c2ncccn2)CC[C@@H]1Oc1cccc(F)c1 257284595 PDIGXCOTBMDLML-YOEHRIQHSA-N 331.347 1.660 0 40 EDAB CO[C@H]1CCN(C(=O)CN(C)Cc2cccnc2)C[C@@]12CCCO2 257233024 GNKLGMMNNJWIOM-WMZOPIPTSA-N 333.432 1.310 0 40 EDAB CNc1nccnc1[C@H]1CN(Cc2ccc3c(c2)OCCO3)CCO1 257266813 MEQAJNZZONRBGE-MRXNPFEDSA-N 342.399 1.863 0 40 EDAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(C)=O)CC1 257244276 IKQMBOBHDDUFOK-GBESFXJTSA-N 332.444 1.842 0 40 EDAB Cc1cc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)nc(C)n1 257269170 MOWJZSWWSYPTEB-CYBMUJFWSA-N 339.442 1.917 0 40 EDAB O=C(C1CCOCC1)N1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 257315972 VDNYMPJIFYWQTD-IAGOWNOFSA-N 344.411 1.051 0 40 EDAB O=C(C[C@@H]1CCCS1(=O)=O)NCc1nc2ccc(Cl)cc2[nH]1 585122012 KJBYCAJASFHWPS-JTQLQIEISA-N 341.820 1.800 0 40 EDAB COC(=O)[C@H]1CC12CCN(S(=O)(=O)CC[C@H]1CCCCO1)CC2 585115463 BHGWKVOPCHLIIM-ZIAGYGMSSA-N 345.461 1.551 0 40 EDAB C[C@]1(C(N)=O)CN(C(=O)c2ccc(Cc3ccccc3)nc2)CCO1 257219719 DHWGCVKJESWXNH-LJQANCHMSA-N 339.395 1.389 0 40 EDAB CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1 257264655 LVLUXARQQHGYPV-BDXSIMOUSA-N 347.459 1.589 0 40 EDAB CN(Cc1nccs1)[C@H]1CC12CCN(Cc1nnn(C)n1)CC2 283344915 ZXHMGXBUDDIAHY-LBPRGKRZSA-N 333.465 1.153 0 40 EDAB CN(C)CCN(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 575421109 MZBPNAVHXGTHEB-AWEZNQCLSA-N 330.881 1.891 0 40 EDAB COc1ccc(C)cc1CC(=O)N(C)[C@@H]1COC[C@@H](OC)[C@H]1OC 585288207 RLFBHYBLAXIKJS-KYJSFNMBSA-N 337.416 1.433 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)c2nc3c(o2)CCN(CC(=O)N(C)C)C3)C1 585112037 KITGDMYZQMTSRB-STQMWFEESA-N 348.447 1.239 0 40 EDAB Cc1ccccc1S(=O)(=O)N1CC(F)(F)C[C@@]2(CCNC2=O)C1 585093133 DOLSOCHDCVZIEZ-AWEZNQCLSA-N 344.383 1.531 0 40 EDAB Cc1nc2c([nH]1)C[C@H](C(=O)N1CCC(c3ccnn3C)CC1)CC2 585139969 FYCFOEDKHUQMMM-CQSZACIVSA-N 327.432 1.963 0 40 EDAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCc1ccco1 47516305 VEETXRGPDIHAHF-UHFFFAOYSA-N 341.371 1.287 0 40 EDAB CCn1c(=O)n(CC(=O)NCc2ccccc2CO)c2ccccc21 50003367 VVZACRQJTZPGEU-UHFFFAOYSA-N 339.395 1.632 0 40 EDAB Cc1cc(NC(=O)NCc2cccc(C(=O)NCCN(C)C)c2)no1 60375511 NJZLLMACFDFWFM-UHFFFAOYSA-N 345.403 1.596 0 40 EDAB Brc1ccccc1-n1nnnc1CSc1ncn[nH]1 67952375 WCZISFFDGFAOBK-UHFFFAOYSA-N 338.194 1.835 0 40 EDAB CNS(=O)(=O)c1ccccc1N1CCN(Cc2ccccc2)CC1 69080502 YEWJADAMKPGWSV-UHFFFAOYSA-N 345.468 1.917 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1cc(=O)n3cc(C)ccc3n1)CC2 69661097 WTUJSGITPXCFQD-CYBMUJFWSA-N 338.415 1.261 0 40 EDAB Cc1nc(CC(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)cs1 70004233 AVVCYOMJAPXQRW-AWEZNQCLSA-N 325.478 1.545 0 40 EDAB CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccc2c(c1)CCO2 71185451 KGOSZFRTWHRDLK-SWLSCSKDSA-N 348.468 1.980 0 40 EDAB COCc1nccc([C@H]2CCCN(c3ncnc4c3cnn4C)C2)n1 89745563 HZZLQPKGGAQKAC-LBPRGKRZSA-N 339.403 1.684 0 40 EDAB COc1ccc(CCNC(=O)CN2CCC(c3cn[nH]c3)CC2)cc1 97203523 FWSJJEUTWDGADT-UHFFFAOYSA-N 342.443 1.957 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 825306534 KDPKEBBGMGZYTL-RYUDHWBXSA-N 337.405 1.440 0 40 EDAB COCCN(Cc1ccco1)S(=O)(=O)CC[C@@H]1CCCOC1 1615055020 GDYMMXUAJUQLRI-AWEZNQCLSA-N 331.434 1.875 0 40 EDAB O[C@H](CN1CCN(c2ncc(Br)cn2)CC1)C1CC1 1615579035 MSRZOLYQKFRJAH-GFCCVEGCSA-N 327.226 1.132 0 40 EDAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(C)n2N)c1 5580986 DZDQFOOETUISCG-UHFFFAOYSA-N 335.389 1.208 0 40 EDAB CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)CC1 12117863 HHDHUKKGZWZUSC-UHFFFAOYSA-N 339.443 1.960 0 40 EDAB Cn1cc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)cn1 12142558 KKZHNRXULPXNNK-WMLDXEAASA-N 340.431 1.309 0 40 EDAB CC(=O)NCCn1nc([C@H]2CCN(CC(C)(C)C)C2)c2nccnc21 19021531 DCQZPCZKALAGHI-AWEZNQCLSA-N 344.463 1.798 0 40 EDAB Nc1ccc(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)cc1 19772683 DMWGNJXNPLCYCS-UHFFFAOYSA-N 346.456 1.213 0 40 EDAB CO[C@@H]1COC[C@@H](CNCc2cccc(Br)c2)[C@@H]1O 643585690 ZPFNQMHCWWCRNR-BNOWGMLFSA-N 330.222 1.561 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 548023239 ZEKAAIIMCLKCKU-DYVFJYSZSA-N 348.491 1.710 0 40 EDAB CN1CC[C@@](Cc2ccccc2)(C(=O)NCCc2ccccn2)C1=O 585140939 NEKRELYUHRQOTB-HXUWFJFHSA-N 337.423 1.832 0 40 EDAB CCNC(=O)NCCNS(=O)(=O)c1csc2ccccc12 585141841 GPBCEXPIGKZJBZ-UHFFFAOYSA-N 327.431 1.499 0 40 EDAB COc1c(C)cnc(CN2CCO[C@@H](C(=O)N3CCCCC3)C2)c1C 1888853860 KICHMNFWOISPSD-QGZVFWFLSA-N 347.459 1.920 0 40 EDAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cnn1C 29874963 ARZYAFUFABBEKR-CQSZACIVSA-N 334.445 1.593 0 40 EDAB C[C@]1(NC(=O)Cc2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 30998300 NEGYVYNHKBXCMW-ZDUSSCGKSA-N 335.347 1.941 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037905602 OSNFXVVHAMHLCA-KRWDZBQOSA-N 338.379 1.084 0 40 EDAB O=C(NC1CCCC1)c1ncn2c1CN(C(=O)c1cc[nH]n1)CCC2 1565555006 NNBQMIKCFIMTQH-UHFFFAOYSA-N 342.403 1.325 0 40 EDAB CCOc1ccc(-n2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 4250635 PJTAXGAAPBZKSF-UHFFFAOYSA-N 339.355 1.372 0 40 EDAB O=C1N(CN2CCOCC2)c2ccccc2C12O[C@H]1CCCC[C@H]1O2 15304787 OIDQFQKNUOKTBM-JJTKIYQPSA-N 344.411 1.834 0 40 EDAB Cc1cc(NC(=O)C(=O)NCC2CCN(c3ccccn3)CC2)no1 43941341 CQOYOACACPWIQR-UHFFFAOYSA-N 343.387 1.349 0 40 EDAB COC[C@@](C)(CNS(=O)(=O)c1ccc2c(c1)CCCC2)OC 575613269 QUWDPGKDTMZEPJ-MRXNPFEDSA-N 327.446 1.895 0 40 EDAB COc1ccccc1C(=O)N1CCCC[C@@H]1c1cc(C(N)=O)[nH]n1 225553109 TWLJZJVIHNDSKM-CQSZACIVSA-N 328.372 1.885 0 40 EDAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)c1cc(C2CC2)on1 253472178 JYJJJMDIRMLVSI-CYBMUJFWSA-N 330.340 1.787 0 40 EDAB COc1ccccc1N1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 28264415 RNHXYGFBKHXTLD-UHFFFAOYSA-N 327.384 1.356 0 40 EDAB O=C(N1CCOCC1)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 238919454 SVNDXVFAOMYOFR-GJZGRUSLSA-N 328.372 1.705 0 40 EDAB O=C(Nc1cccc(C(=O)N2CCSCC2)c1)N1CCOCC1 50083692 MAZFXCKNBTYWLV-UHFFFAOYSA-N 335.429 1.740 0 40 EDAB O=C(c1cn(Cc2ccccc2)nn1)N1CCN(c2ncccn2)CC1 24355252 GQQMRZNASJCJKV-UHFFFAOYSA-N 349.398 1.079 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)c2cc3c(s2)CCC3)CC1 24461550 DGEFYEGHHOCOPI-UHFFFAOYSA-N 342.486 1.781 0 40 EDAB CCNC(=O)COC(=O)c1ccc(I)cc1 3292343 NAFAJPODGHWTJL-UHFFFAOYSA-N 333.125 1.584 0 40 EDAB NS(=O)(=O)c1cccc(S(=O)(=O)N(C2CCCC2)C2CC2)c1 24687214 ZLQLLPXVDXQSNN-UHFFFAOYSA-N 344.458 1.430 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C=C1C(=O)NC(=S)NC1=O 360893 STOAKLQYOCCJRD-UHFFFAOYSA-N 326.381 1.403 0 40 EDAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 502858 KZADPOZHGFTYPB-UHFFFAOYSA-N 349.437 1.390 0 40 EDAB CCOC(=O)N1CCC(NC(=O)CCc2c(C)nn(C)c2C)CC1 25157182 FUQJUMFMXCTZPN-UHFFFAOYSA-N 336.436 1.707 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3c[nH]c(C(C)C)n3)CCO2)n1 78894312 BBVCTWZLLNFWON-LBPRGKRZSA-N 332.408 1.817 0 40 EDAB COCCN(C)C(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2)C1 106866967 ANXKWNSCRDOIFJ-HZPDHXFCSA-N 347.459 1.830 0 40 EDAB CCCNC(=O)CCC(=O)NS(=O)(=O)c1ccc(Cl)cc1 1612670 ILHNDOMKMKRGTA-UHFFFAOYSA-N 332.809 1.451 0 40 EDAB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)N=c1[nH]cc[nH]1 79490931 SZONQVUWPYMOOG-UHFFFAOYSA-N 345.362 1.847 0 40 EDAB O=C(NCCNS(=O)(=O)c1cc(F)cc(F)c1)c1ccoc1 57008802 HGBXWADZTSZJKP-UHFFFAOYSA-N 330.312 1.266 0 40 EDAB COc1c2c(cc3c1OCO3)[C@]13C=C[C@H](OC)C[C@@H]1N(C2)C[C@@H]3O 3978345 QAHZAHIPKNLGAS-INKHSBHDSA-N 331.368 1.195 0 40 EDAB in-vitro Cc1cc2nc(SCC(=O)NCc3ccco3)n(C)c(=O)c2[nH]1 57521201 IHGOIIBNRMXSEM-UHFFFAOYSA-N 332.385 1.572 0 40 EDAB COc1cc(NC(=O)[C@H](N)CCCNC(=N)N)cc2ccccc12 4533935 XVHWVDFGKDNOBO-CQSZACIVSA-N 329.404 1.377 0 40 EDAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1 7380724 ZGVZLGOWSZIQGD-CYBMUJFWSA-N 347.440 1.793 0 40 EDAB C[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@@H]12 100556820 LTJAGZKGLNGMHB-MKSNKDDYSA-N 340.379 1.356 0 40 EDAB C[C@H](C(=O)NCCN(C)C)N1c2cccc3cccc(c23)S1(=O)=O 10111632 YTJJHPDSISQBPE-GFCCVEGCSA-N 347.440 1.415 0 40 EDAB CC(C)Oc1nnc(SCC(=O)NCC(=O)N2CCCC2)s1 58193207 KKBHTFBAZUFAJJ-UHFFFAOYSA-N 344.462 1.156 0 40 EDAB COc1ccc(Cc2n[nH]c(NC[C@H]3CCCO3)nc2=O)cc1OC 8769055 WXJQIVRUPZJODT-GFCCVEGCSA-N 346.387 1.364 0 40 EDAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(O)nn1 27674549 NVWIJBOGTGFHBM-HNNXBMFYSA-N 346.362 1.125 0 40 EDAB Cc1nc2cc(C(=O)N3C[C@@H](N4CCOCC4)[C@H](C)C3)ccc2[nH]1 95467429 FTLAOGYGKTWBEH-SJKOYZFVSA-N 328.416 1.664 0 40 EDAB Cn1nccc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 108534937 PNAMMCLSYFLJBK-AEFFLSMTSA-N 332.448 1.271 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)on1 58293968 HINSIORYDONICN-ZNMIVQPWSA-N 336.436 1.495 0 40 EDAB CC(=O)NCCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 58250025 QITGBEYVMPWWEL-QWHCGFSZSA-N 325.206 1.805 0 40 EDAB O=C1NCCN(S(=O)(=O)c2cccc(F)c2)[C@H]1c1ccccc1 58209437 TYXUBKVOEUIBMH-HNNXBMFYSA-N 334.372 1.688 0 40 EDAB COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 58268645 WAAOSEDFCBSHSK-AOOOYVTPSA-N 347.820 1.925 0 40 EDAB C[C@H](C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)n1cncn1 44908829 AJKJHHBOBRVUTF-LLVKDONJSA-N 339.852 1.898 0 40 EDAB CC1(C)[C@@H]2CC=C(CN3C[C@@]45C=C[C@H](O4)[C@H](C(=O)O)[C@H]5C3=O)[C@@H]1C2 101239846 KFWIQRFOCDYDRG-VUYHPCFGSA-N 329.396 1.845 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NCCOc1ccc2c(c1)OCO2 44955170 JARXRLXGBKLTTE-GFCCVEGCSA-N 332.360 1.379 0 40 EDAB Cc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n(N)c1=O 3311913 ZZUYSTPFRAQMHI-UHFFFAOYSA-N 333.417 1.515 0 40 EDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1c(F)cccc1F 58315405 FLFLQZBCDNNGGI-NSHDSACASA-N 346.399 1.090 0 40 EDAB CC(C)(C)CC(C)(C)NC(=O)CCn1cc(S(N)(=O)=O)cn1 58344350 ZQOIQTSXMONAGD-UHFFFAOYSA-N 330.454 1.252 0 40 EDAB CC(C)c1nn(C)c(N(C)C)c1CN[C@H](C)c1nnc2n1CCC2 58393938 FKUHSAXRJWLLMQ-GFCCVEGCSA-N 331.468 1.998 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1c[nH]nc1-c1ccc(F)cc1 45075724 GSJDSJOGYKYKQU-SNVBAGLBSA-N 337.376 1.380 0 40 EDAB CCO[C@H](C)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 58404904 RMFIUMPULXUMPH-CQSZACIVSA-N 348.443 1.770 0 40 EDAB CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCc1cccc(F)c1 58426386 UMETZBABNWANIS-ZDUSSCGKSA-N 348.465 1.503 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCc2ccccc2OC(F)(F)F)C1 45313412 JKNFIHRDBCGSMQ-JTQLQIEISA-N 331.294 1.602 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccsc2)cc1 11069381 PMKHSEYXASHBKR-UHFFFAOYSA-N 339.394 1.947 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(N)CC2)c(Br)c1 36753776 QBVHRVWBUHTBEE-UHFFFAOYSA-N 333.251 1.869 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 37291363 VZLMCACPMNLLLD-SUNKGSAMSA-N 326.418 1.594 0 40 EDAB C[C@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)CN1CCCC1 47524746 NIYVFXGEWGSJJY-OAHLLOKOSA-N 347.463 1.772 0 40 EDAB COc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1OC 13042509 DQCXERSMCSUYQA-UHFFFAOYSA-N 332.356 1.751 0 40 EDAB Cc1cccc(OCC(=O)Nc2nnc(S(C)(=O)=O)s2)c1C 27664690 KUSHPFWTEYXAMG-UHFFFAOYSA-N 341.414 1.576 0 40 EDAB CCOC(=O)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 4041728 HFONFDOIGODJRZ-KYZVSKTDSA-N 343.335 1.234 0 40 EDAB biogenic O=C(O)CCCCCNC(=O)Cn1nc2c(cc1=O)CCCCC2 49546928 OUCWLSONJOKOLY-UHFFFAOYSA-N 335.404 1.273 0 40 EDAB CC(=O)Nc1ccc2c(c1)nc(CCCNC(=O)[C@H]1CCCO1)n2C 13683438 XFEASWKDXOATQQ-MRXNPFEDSA-N 344.415 1.760 0 40 EDAB CC(=O)Nc1nc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2s1 13729935 QGGAIMSWXQPGGP-UHFFFAOYSA-N 346.412 1.592 0 40 EDAB CN(CCNC(=O)C1CCN(C(=O)c2cccs2)CC1)C1CC1 65443414 BSHKQAPSBDDRAV-UHFFFAOYSA-N 335.473 1.811 0 40 EDAB CCCCCS(=O)(=O)CC(=O)N(CCOC)Cc1ccco1 65522966 OBDULKLYSHZDFO-UHFFFAOYSA-N 331.434 1.860 0 40 EDAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2cccnc2)c(C)c1 65565430 BILBTXFSJCPBLP-UHFFFAOYSA-N 349.412 1.706 0 40 EDAB CN1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)CC1 71758899 WRIPLNPQSPRETA-UHFFFAOYSA-N 347.488 1.769 0 40 EDAB CNC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 4681648 ZJFFVNDPRKDCDC-UHFFFAOYSA-N 346.452 1.886 0 40 EDAB COC[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 66083879 OTZBGROSGSKOEW-KSSFIOAISA-N 345.399 1.137 0 40 EDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1cccc(Br)c1 6673624 BKUSPAWVPHUXGK-VHSXEESVSA-N 347.259 1.309 0 40 EDAB COc1cccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)c1 66485758 USSGDDUAFHQYEG-INIZCTEOSA-N 332.400 1.549 0 40 EDAB O=C([C@H]1CCCCN1C(=O)c1ccnc(Cl)c1)N1CCOCC1 66484735 PNPDGMPYLFOQDF-CYBMUJFWSA-N 337.807 1.589 0 40 EDAB O=C(COC(=O)c1[nH]nc2ccccc12)NC(=O)NC1CCCC1 5826980 XBZGNPPKPQINHK-UHFFFAOYSA-N 330.344 1.488 0 40 EDAB CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)s1 4975799 XQMBMGPYRJPONT-SECBINFHSA-N 326.422 1.660 0 40 EDAB O=C(Cc1cc2ccccc2[nH]c1=O)N1CCN2CCCC[C@@H]2C1 71839766 SGHXSHWDCSXRQV-MRXNPFEDSA-N 325.412 1.767 0 40 EDAB NC(=O)CNC(=O)c1ccc(NC(=O)CC[C@H]2CCCCO2)cc1 71894114 KLXZELLELFYGRM-CQSZACIVSA-N 333.388 1.190 0 40 EDAB O=C(CCN1CCC[C@H](Cn2cncn2)C1)N1CCc2ccccc21 71877637 JBNQYKUEUKSCQO-INIZCTEOSA-N 339.443 1.970 0 40 EDAB O=C(NCCCN1C(=O)CCC1=O)NCc1ccc(Cl)s1 71879665 VBVGRTQZSTWVBE-UHFFFAOYSA-N 329.809 1.740 0 40 EDAB Cc1ccc(N2CCC[C@H](NCC(=O)Nc3cc(C)no3)C2)nn1 71859780 FHSVAAVTEMFQMW-ZDUSSCGKSA-N 330.392 1.279 0 40 EDAB O=C(NCc1cn2cc(Br)ccc2n1)c1ccc(=O)[nH]c1 71820115 NULHCVAKDUBMMM-UHFFFAOYSA-N 347.172 1.715 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)CNCCn2cccn2)CC1 71879180 PKUOHNDNPRIJFN-UHFFFAOYSA-N 341.459 1.126 0 40 EDAB Cc1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2F)n1CC(N)=O 68056009 CXPVGOYYZKNBKT-ZETCQYMHSA-N 340.355 1.714 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2cccc(N3CCCC3=O)c2)no1 7621433 GMFCJBMZUYIPCV-UHFFFAOYSA-N 343.339 1.905 0 40 EDAB CC(C)OC(=O)N1CCC(OC(=O)CNC(=O)C2CCCC2)CC1 71913786 CIYRSCUPFLGLMK-UHFFFAOYSA-N 340.420 1.845 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccn(C)c1=O 71905521 VIMVYUDQXALGEP-UHFFFAOYSA-N 326.360 1.011 0 40 EDAB O=C(COCC1CC1)NC[C@@H]1CCC[C@H]1NC(=O)COCC1CC1 72297997 QYOYZSIPXXVCJA-JKSUJKDBSA-N 338.448 1.241 0 40 EDAB COC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475961 FOZLPSYHVIGOMN-LLVKDONJSA-N 344.433 1.147 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1 8429567 UQBPTIZHXGKWCK-UHFFFAOYSA-N 347.392 1.859 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@@H]1Cn1cccn1 72280001 LIXZEJNFMIKMKX-OAHLLOKOSA-N 337.387 1.228 0 40 EDAB CCC(CC)(CNC(=O)COCC1CC1)NC(=O)COCC1CC1 72283866 IHZKWXZJQPDWRQ-UHFFFAOYSA-N 340.464 1.631 0 40 EDAB C[C@H]1CN(CC(=O)NCC2(c3ccccc3)CC2)CCN1C[C@@H](C)O 72279657 AMMAWEGYKSYMCX-DLBZAZTESA-N 345.487 1.221 0 40 EDAB C[C@H](NC(=O)CNC(=O)c1cccs1)[C@H](O)c1ccc(F)cc1 97020185 KERKVNWCBBBCGN-BONVTDFDSA-N 336.388 1.855 0 40 EDAB CNC(=O)[C@H]1CCCN(C(=O)c2cc(Br)ccc2O)C1 69737910 JGESJVHFVAGGNM-VIFPVBQESA-N 341.205 1.753 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2coc(Br)c2)CC1 69771505 IRDFWTRZTOVICZ-UHFFFAOYSA-N 331.210 1.571 0 40 EDAB COC(=O)c1cn(Nc2nc3ccccc3[nH]2)cc(C(=O)OC)c1=O 8701226 VHTQEYOLWPCAHD-UHFFFAOYSA-N 342.311 1.173 0 40 EDAB CCN(Cc1ccc(OC)c(F)c1)c1ncnc2c1cnn2CCO 97200308 FPXAHDZJLGNLPJ-UHFFFAOYSA-N 345.378 1.993 0 40 EDAB Cc1n[nH]c([C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C(C)C)n1 95960880 ZXQLGQVQGFEPSP-CQSZACIVSA-N 325.376 1.821 0 40 EDAB O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)N1CCC(CO)CC1 88670365 POEASPOCFPUBEG-ZDUSSCGKSA-N 339.386 1.957 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccccc1CC(=O)NC1CC1 71285039 NKVJBJBDYAVHLR-HUUCEWRRSA-N 330.384 1.803 0 40 EDAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCCN(C(N)=O)C1 83004095 OBMGJRTUEKNPHY-UKRRQHHQSA-N 330.432 1.644 0 40 EDAB O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCCn2ncnc21 96007276 QISRWPPGRZTCEH-UHFFFAOYSA-N 333.295 1.291 0 40 EDAB CN(CC(N)=O)C(=O)c1cn(-c2ccc(Br)cc2)cn1 95439353 RLMDXTTVQDIYCE-UHFFFAOYSA-N 337.177 1.192 0 40 EDAB O=S(=O)(Cc1ccc(Cl)nc1)N1CCCC[C@@H]1c1nc[nH]n1 95455689 IJTZERYKUTUUQQ-LLVKDONJSA-N 341.824 1.910 0 40 EDAB Cc1cccc(N2CCN(CCNC(=O)NCc3ccon3)CC2)c1 95406221 DBGTYOQHSIJXHT-UHFFFAOYSA-N 343.431 1.604 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N(C)C)C1 89954638 UCBDSRICVPGEQG-KGLIPLIRSA-N 338.477 1.661 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)C[C@H]1N(C)C 89948371 SASCTDYUALFMFY-BZUAXINKSA-N 331.464 1.492 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(CC2(CS(C)(=O)=O)CCC2)CC1 89920424 IFJJFZNEXKCXHZ-KGLIPLIRSA-N 328.478 1.002 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 89904456 AZKZVGBPKHOHFI-JSGCOSHPSA-N 348.838 1.898 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 76046043 VQKNPRIUQBNVDR-AWEZNQCLSA-N 329.404 1.685 0 40 EDAB CCC[C@@H](C)NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 409412214 UEFLQCHESGDLBN-GFCCVEGCSA-N 340.445 1.960 0 40 EDAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)NCCO)c1)C2=O 408720988 CHOAPVUGCQFTJV-IFXJQAMLSA-N 344.411 1.724 0 40 EDAB CCn1cc(CN2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)cn1 548673707 VZCKXSSQNZAJRK-INIZCTEOSA-N 333.461 1.905 0 40 EDAB CN(C)C[C@H]1CCN(C(=O)NCCOc2ccc(F)cc2F)C1 129920529 FSYGWZQZSYBOER-GFCCVEGCSA-N 327.375 1.937 0 40 EDAB O=C1C[C@H](N2CCOCC2)C(=O)N1c1cccc(Cl)c1Cl 36635174 RWXPGGCHOJQRRJ-NSHDSACASA-N 329.183 1.958 0 40 EDAB CN1C(=O)CO[C@H](C(=O)Nc2nccs2)[C@@H]1c1cccc(F)c1 72241759 KKNSJCSBPBLYDK-STQMWFEESA-N 335.360 1.819 0 40 EDAB O=S1(=O)CCC[C@@H]1CNCc1cnn(Cc2ccc(F)cc2)c1 189307067 FLXAFNHZMYBMED-MRXNPFEDSA-N 337.420 1.737 0 40 EDAB CN(CCN1CCOC1=O)[C@@H]1CCN(c2ccccc2Cl)C1=O 78923095 UFXPETGRRJFMQN-CQSZACIVSA-N 337.807 1.829 0 40 EDAB Cc1nc(CCC(=O)O)cc([C@H]2CCCCN2S(C)(=O)=O)n1 72363403 PYGHJFZGANUPDQ-CYBMUJFWSA-N 327.406 1.289 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@H](C(C)C)N1CCC(C)CC1 48290235 ZLKAOTZYKRQEQD-OAHLLOKOSA-N 336.484 1.854 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3cccc4c3OCCO4)CC2)no1 79001496 HYOMCDFHJWQYKD-UHFFFAOYSA-N 344.371 1.107 0 40 EDAB Cc1cc(CNS(=O)(=O)c2ccc(F)c(F)c2)nc(N(C)C)n1 188284201 XCEJNBPDEVZJRS-UHFFFAOYSA-N 342.371 1.608 0 40 EDAB CC(=O)N1CCC[C@H](Cc2cncc(C(=O)NC3CCCC3)n2)C1 72365903 GRQCTUFSYOXORY-CQSZACIVSA-N 330.432 1.950 0 40 EDAB CC1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)CC1 72241781 JVIWABBHHMQMQV-DLBZAZTESA-N 334.391 1.983 0 40 EDAB CN1C[C@@H](C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)CC1=O 84369302 LOCAVZJRLGLQEK-JKSUJKDBSA-N 342.395 1.820 0 40 EDAB CN(C)[C@H](CNC(=O)CN1CC[C@@]2(CCOC2)C1)c1ccccc1 195566960 GHZQVXSMTNCYTE-IEBWSBKVSA-N 331.460 1.518 0 40 EDAB O=C(c1ccc2ccncc2n1)N1CCC[C@@H](N2CCNC2=O)C1 575174631 LYHPPVIOQVYCNY-CYBMUJFWSA-N 325.372 1.260 0 40 EDAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCCN(C)C)n2)cc1C 41255024 WMXIFRLJMQVRDH-UHFFFAOYSA-N 342.443 1.595 0 40 EDAB CC(C)(C)n1cc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cn1 68292342 CDTBZLKPLRHYKU-VIFPVBQESA-N 332.326 1.987 0 40 EDAB Cc1nc(COc2ccc(C(=O)N3CCC[C@@H](O)CC3)cc2)no1 573161252 OLFMOQRDXIGQJA-CQSZACIVSA-N 331.372 1.944 0 40 EDAB COCCN1CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 532282977 XETGZXHMDGZCDB-UHFFFAOYSA-N 331.416 1.321 0 40 EDAB O=C(CC[C@@H]1NC(=O)NC1=O)NCCSc1ccc(Cl)cc1 44870792 KVKJOYHSPFINLT-NSHDSACASA-N 341.820 1.537 0 40 EDAB CCN1CCOC[C@@H]1C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C 330640332 BGNWAUFGXUBJQK-DZGCQCFKSA-N 336.432 1.910 0 40 EDAB C[C@@H]1CN(c2ncccn2)CC[C@@]12CC[C@H](C(=O)NCC1CC1)O2 96061300 BSDZCQCQZGBZEA-SIIHOXLZSA-N 330.432 1.767 0 40 EDAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N(C)C 96193193 UZQJZFIOXWYPNP-UHFFFAOYSA-N 328.434 1.396 0 40 EDAB CC(C)NC(=O)N1CCC[C@]2(COCCN(c3nncs3)C2)C1 96229279 XFOUZPIHBMMGBO-HNNXBMFYSA-N 339.465 1.575 0 40 EDAB CNC(=O)NC[C@@H]1CCC2(CCN(Cc3nccs3)CC2)CO1 96224958 QGUVIQOTASJWJI-ZDUSSCGKSA-N 338.477 1.833 0 40 EDAB COc1ccc(C(=O)N2C[C@H](OCCN(C)C)[C@H]3OCCC[C@H]32)cc1 96187031 PGWLLVZIVLWUIX-SQNIBIBYSA-N 348.443 1.645 0 40 EDAB CN(C)C(=O)COCc1cncc2c1CCN(C[C@H]1CCOC1)C2 96189390 GISQCAPUOAKJJJ-CQSZACIVSA-N 333.432 1.081 0 40 EDAB Cc1ccc(N2C[C@@H](OCC3CCOCC3)[C@H]3OCCC[C@H]32)nn1 96065914 ZZCCRSFCTZBPAE-NUJGCVRESA-N 333.432 1.964 0 40 EDAB O=C(c1cocn1)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 96109091 IZOBBRXFBTUDBL-BZNIZROVSA-N 333.319 1.376 0 40 EDAB O=C(c1cnccn1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109005 ZXTRTJAMLXJROD-KDOFPFPSSA-N 340.383 1.177 0 40 EDAB O[C@H]1C[C@@H](c2cccc(F)c2)N(c2cc(N3CCOCC3)ncn2)C1 582800956 GEJWZTIMRXCEQQ-HOTGVXAUSA-N 344.390 1.765 0 40 EDAB 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1.065 0 40 EDAB Cc1cccc(C(N)=O)c1NS(=O)(=O)c1ccc2c(c1)OCCO2 12771836 FFYJWIWFFCYFRO-UHFFFAOYSA-N 348.380 1.666 0 40 EDAB O=C(NCCCN1CCCC1=O)C1CCN(C(=O)c2ccco2)CC1 12751835 KJDIWRKWXYEFKC-UHFFFAOYSA-N 347.415 1.261 0 40 EDAB CCOc1nnc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)s1 48332205 YSOZARINMMSKQI-GFCCVEGCSA-N 340.449 1.008 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)c1ccc2ccccc2c1O 3439002 RXEMXNCLGRTYBH-UHFFFAOYSA-N 330.340 1.938 0 40 EDAB CN(C)S(=O)(=O)c1cccc(Cn2ncc3ccccc3c2=O)c1 12973674 AREKPHJWRMQRNM-UHFFFAOYSA-N 343.408 1.695 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C(F)(F)F)cc1 12927394 HMQSFQWSFULHDY-LBPRGKRZSA-N 330.306 1.569 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2F)C1 93531274 QOCNSGPIOFOECT-LLVKDONJSA-N 340.342 1.968 0 40 EDAB CCCCOc1ccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)cc1 13799196 VKKCXDGRGSFCTP-UVTDQMKNSA-N 343.408 1.546 0 40 EDAB COCc1nc(C(=O)NS(=O)(=O)c2ccc(F)cc2F)cs1 65041837 LUTHMAYNXHRZIO-UHFFFAOYSA-N 348.352 1.686 0 40 EDAB Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)N2CCOCC2)cc1 19898826 NNXVDDORYDTIQP-KRWDZBQOSA-N 328.368 1.859 0 40 EDAB CC(C)Cc1n[nH]c(NC(=O)Cn2cnc3ccccc3c2=O)n1 95478953 PBOSLXQWQPBUPJ-UHFFFAOYSA-N 326.360 1.352 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)C2)cc1 4813917 BQNXTKXNFIRZIG-UHFFFAOYSA-N 337.445 1.865 0 40 EDAB COc1ccc(NC(=O)CN2CCC(N3CCO[C@H](C)C3)CC2)cc1 66561979 TWYOKSVSTPIJNP-OAHLLOKOSA-N 347.459 1.819 0 40 EDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@H](c2cccc(F)c2)C1 66693720 CNTLVGQWJZRYKP-BBRMVZONSA-N 332.375 1.737 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C 71870353 UAYWBIQRYUMJKE-KBPBESRZSA-N 341.477 1.914 0 40 EDAB Cc1cn2nc(NC[C@@H](O)CN3CCc4ccccc4C3)sc2n1 71810953 QREQCUUFZXBOLC-OAHLLOKOSA-N 343.456 1.930 0 40 EDAB O=C(CN1CC(n2cccn2)C1)Nc1ccnn1Cc1cccs1 71879065 ZXHAQANSMVYULK-UHFFFAOYSA-N 342.428 1.685 0 40 EDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=S)NCCCN(C)C 7327346 VZSSKGCVXWGUSJ-UHFFFAOYSA-N 347.488 1.571 0 40 EDAB O=C(Nc1nccs1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842628 JJJNPEKSWHVSDF-UHFFFAOYSA-N 337.382 1.462 0 40 EDAB COC(=O)c1ccsc1N1CC[C@@H](Nc2nc(C)ns2)C1=O 80678599 PHRGEMGGZOLMLQ-SECBINFHSA-N 338.414 1.912 0 40 EDAB CN(C)c1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccncc3)C2)c1 83855356 VNMGVHVBHLALTL-MRXNPFEDSA-N 338.411 1.792 0 40 EDAB CC[C@H]1CN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CCO1 81246210 LPEGCASIOJQTBZ-ZDUSSCGKSA-N 326.418 1.202 0 40 EDAB CN1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)C1 81444858 JSRKEXRGKBCOQJ-CJNGLKHVSA-N 337.851 1.756 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCCC[C@@H]1C1OCCO1 69209977 NYTHSMMNMFTFRR-CYBMUJFWSA-N 333.356 1.881 0 40 EDAB Cc1noc([C@H]2CCCN(c3ncnc(-n4cccn4)c3N)C2)n1 91455050 AYOFTZQTBOQYQC-NSHDSACASA-N 326.364 1.320 0 40 EDAB CN(Cc1ccco1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24051373 SFCJBEAEWMSLPQ-UHFFFAOYSA-N 329.399 1.504 0 40 EDAB CC[C@H]1CN(C(=O)[C@H](Cc2ccc3c(c2)OCO3)NC(C)=O)CCO1 69435489 WOUHRTVUXZESIK-GJZGRUSLSA-N 348.399 1.100 0 40 EDAB CC1(C)S[C@@H]2[C@@H](NC(=O)Nc3ccccc3)C(=O)N2[C@H]1C(=O)O 28249433 LSCPNHFIESJHDY-JBLDHEPKSA-N 335.385 1.324 0 40 EDAB Cc1ccc(N(C)C2CCN(C(=O)CCc3cnn(C)c3)CC2)nn1 69664633 WUXLPHWJKKFMOW-UHFFFAOYSA-N 342.447 1.579 0 40 EDAB O=C1OCCN1CCN1CCN(C(=O)c2ccc(F)cc2F)CC1 69662694 PRGBBHWXAAQVHB-UHFFFAOYSA-N 339.342 1.175 0 40 EDAB C[C@H]1CCCCN1C(=O)CCNC(=O)N[C@H](C)C(=O)NC(C)(C)C 69776370 ISBNZMFIVIHCEK-QWHCGFSZSA-N 340.468 1.380 0 40 EDAB CCc1nc2n(n1)C[C@H](NC[C@@H](O)COCc1cccs1)CC2 69843631 QNBYFXMZEFZCIA-CHWSQXEVSA-N 336.461 1.384 0 40 EDAB Cc1nccn1[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC3CC3)C2)C1 69901621 ZCTFRADTYSBIIG-HOTGVXAUSA-N 330.432 1.614 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)n(C)c1 23735393 YZAVLSBJCIGGKF-UHFFFAOYSA-N 325.434 1.554 0 40 EDAB CC[C@@H]1CN([C@@H](C)C(=O)NCC2CCCCC2)CCN1C[C@@H](C)O 72279683 YOBDMUMUENBDNC-SOLBZPMBSA-N 339.524 1.848 0 40 EDAB CC[C@@H]1CN(CC(=O)NCc2cccc(OC)c2)CCN1C[C@@H](C)O 72279716 CSKKFWWTFFXXGV-NVXWUHKLSA-N 349.475 1.088 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CCCN(c3cnccn3)C2)no1 84280767 VVDLXGKWJVQZPA-KBPBESRZSA-N 342.403 1.748 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)CCc1nc(-c3ccco3)no1)CC2 97199115 HLXRSYIWOKFTII-LLVKDONJSA-N 342.359 1.293 0 40 EDAB O=C(NCCc1nnc2n1CCC2)NCC1(c2ccccc2)CC1 86361370 NBKBBZNMJMKUFN-UHFFFAOYSA-N 325.416 1.798 0 40 EDAB O=C(CCn1c(=O)oc2ccccc21)NC1(C(=O)O)CCCCC1 89873299 IECLFDCDRCICDI-UHFFFAOYSA-N 332.356 1.888 0 40 EDAB CC(C)NC(=O)CCCC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 77140028 KAGCKERMKVJLFH-QWHCGFSZSA-N 332.466 1.153 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 408589445 FQVZLZWVDUCIEV-CYBMUJFWSA-N 342.461 1.694 0 40 EDAB COc1c(C)cnc(CN2CCC[C@H](NS(C)(=O)=O)C2)c1C 66664920 PBQRXLCZFCCTMR-ZDUSSCGKSA-N 327.450 1.221 0 40 EDAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@H]1C2 306134093 NDFFJBQZSJTZEE-ZIAGYGMSSA-N 341.415 1.458 0 40 EDAB Cc1nonc1CC(=O)N1CCC[C@@]2(C1)NC(=O)c1ccccc1N2 72347539 XFMHOPABQPLTAJ-KRWDZBQOSA-N 341.371 1.095 0 40 EDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 218096218 ZOWPSFGVHIFVRO-YESZJQIVSA-N 332.425 1.291 0 40 EDAB Cc1nc(Nc2ncccn2)cc(C2CN(C(=O)c3cccnc3)C2)n1 72382704 MPQPPNPJKNGVER-UHFFFAOYSA-N 347.382 1.953 0 40 EDAB COc1cc(C)c(S(=O)(=O)NCCCN2CCOCC2)c(C)c1 73743441 KFOSHFQSWPVJIW-UHFFFAOYSA-N 342.461 1.313 0 40 EDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 218095152 KSJLTGNDNCCQGM-IRXDYDNUSA-N 346.452 1.539 0 40 EDAB COc1c(Cl)cc(C(=O)N2CCO[C@H](C(=O)O)C2)cc1Cl 43701777 FYYPGSSTHNVQLG-JTQLQIEISA-N 334.155 1.928 0 40 EDAB CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NS(=O)(=O)CC 72324872 KVGGBYSTUAGUBU-ZDUSSCGKSA-N 327.450 1.230 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N(C1CC1)[C@H]1CCc2ccccc21 72046933 IHOZDIFPZQFHBK-HNNXBMFYSA-N 325.368 1.215 0 40 EDAB Cc1ccccc1-n1nccc1NC(=O)[C@@H]1CCCN(C(N)=O)C1 79096497 JXBMXCBXPLDTMQ-CYBMUJFWSA-N 327.388 1.910 0 40 EDAB Cc1c(C(=O)N(C)CC(=O)N2CCCC2)cnn1-c1ccccn1 68014571 XPGVBAWILXMCHP-UHFFFAOYSA-N 327.388 1.270 0 40 EDAB CO[C@@H](C)CC(=O)N[C@H]1CCCN(C(=O)c2cnc3n2CCC3)CC1 1065956325 LJNNJYHCFMHOKV-KBPBESRZSA-N 348.447 1.365 0 40 EDAB CCN(CC)Cc1nc(C2(O)CCN(C3COC3)CC2)cs1 225463464 JFBFQMACVVMOBI-UHFFFAOYSA-N 325.478 1.667 0 40 EDAB biogenic,in-vitro COc1ccccc1[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)N(C)C)CC1 69348719 DMHZMRZUFXFNOK-HZPDHXFCSA-N 345.443 1.031 0 40 EDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1F 45896110 UERDMGKXCMAXRP-CYBMUJFWSA-N 333.323 1.291 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)NC1CCN(C2CC2)CC1 1579291747 PNXAXDGITBBCSB-LJQANCHMSA-N 329.444 1.538 0 40 EDAB CC[C@](O)(C(=O)N[C@H](C)CS(=O)(=O)CC)c1cccc(Cl)c1 225734382 YBVJUZCIOUAYEU-IAQYHMDHSA-N 347.864 1.877 0 40 EDAB Cc1nc(CC2CC2)sc1C(=O)N[C@]1(C)CCS(=O)(=O)C1 191405677 JNGALHLCSMWNNR-CQSZACIVSA-N 328.459 1.711 0 40 EDAB C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CC(n2cccn2)C1 69629840 UDDYSAZGTWZINI-MRXNPFEDSA-N 339.443 1.477 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3ccc(F)cc3)N[C@](C)(C(=O)OC)[C@@H]2C1=O 229994327 SVWWHCGTDZGGBX-MRHIQRDNSA-N 334.347 1.023 0 40 EDAB CN1CCC(NC(=O)[C@@]2(C)Oc3ccc(Cl)cc3NC2=O)CC1 41549577 XTLOUNAATMCOLV-MRXNPFEDSA-N 337.807 1.640 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 226744346 BOIZDVFMSUWQGJ-UHFFFAOYSA-N 338.360 1.168 0 40 EDAB O=C(NCc1ccnc(N2CCCCC2)c1)N[C@@H]1C=C[C@H](CO)C1 81482689 AFXRQYGBFGZCPR-JKSUJKDBSA-N 330.432 1.808 0 40 EDAB Nc1ccc(S(=O)(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)cc1 97376032 NSFUVCYCLYYDEW-GFCCVEGCSA-N 338.351 1.593 0 40 EDAB c1csc(CN2CCOC[C@]3(CC[C@H](CN4CCCC4)O3)C2)n1 96052331 ORABJWNJSQSFJK-WBVHZDCISA-N 337.489 1.989 0 40 EDAB O=C(c1csnn1)N1CCO[C@H]2[C@@H]1CC[C@@H]2CNc1ncccn1 96082576 GYZTVIGSSNKNFL-KGYLQXTDSA-N 346.416 1.060 0 40 EDAB c1csc(CN2Cc3nccn3C[C@H](CN3CCOCC3)C2)n1 96188493 QLUITPSNAOZKNE-CQSZACIVSA-N 333.461 1.304 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1ccc3c(c1)OCCO3)CC2 97198868 HBTMEVBKDJPAGU-LBPRGKRZSA-N 328.372 1.357 0 40 EDAB c1cc(N2CCOCC2)nc([C@@H]2COCCN2Cc2ccsc2)n1 96219508 GBHWWFPVZYALJV-HNNXBMFYSA-N 346.456 1.948 0 40 EDAB c1ccc(N2CCOCC2)c(CN2CCO[C@H]([C@@H]3CCCO3)C2)c1 91928207 GHUREAPQKQYROM-OALUTQOASA-N 332.444 1.903 0 40 EDAB O=C(Nc1nnc(-c2ccco2)s1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 579911543 PWLXBUMUSSABIC-LMZXYNMPSA-N 332.385 2.031 0 40 EDAB C[C@@H]1CN(C(=O)c2cccn2C)C[C@]12CCN(c1cccnc1)C2=O 96070317 XLZVRXNVTRCPRS-AUUYWEPGSA-N 338.411 1.935 0 40 EDAB C[C@@H](CNC(=O)NC[C@@H]1CN(C)CCN1C)Oc1cccc(F)c1 96440136 UGEICPMNJWVZEV-DZGCQCFKSA-N 338.427 1.138 0 40 EDAB CN1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)N3CCOCC3)C2)C1=O 96063638 NABKHRMWGINYSO-APWZRJJASA-N 343.427 1.387 0 40 EDAB O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCc1ccncc1 96418179 SPDKAYCKOQLDGJ-UHFFFAOYSA-N 340.351 1.937 0 40 EDAB C[C@@](Cn1cnc2ccccc21)(NC(=O)CC1CCOCC1)C(=O)O 1592930996 QBUNAUHLDLKLOD-SFHVURJKSA-N 345.399 1.813 0 40 EDAB Cc1cc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(C)o1 583616391 NCUREKRXPGUMOM-BFHYXJOUSA-N 329.418 1.447 0 40 EDAB O=C(c1nc2ccccn2c1F)N1CCN(C2CCCC2)C[C@H](O)C1 97743630 PFJHPKBFTROMNJ-AWEZNQCLSA-N 346.406 1.535 0 40 EDAB CC(C)OC(=O)c1cccnc1N1CCN(Cc2nccn2C)CC1 96503062 MBCQZXQTZWVWMA-UHFFFAOYSA-N 343.431 1.703 0 40 EDAB CC(C)Nc1nc2c(c(N(C)C)n1)CCN(C(=O)c1cc[nH]n1)CC2 96254605 CHQDIVUSPHDYME-UHFFFAOYSA-N 343.435 1.327 0 40 EDAB Cc1ccc(CN2Cc3cncn3[C@H](CCNS(C)(=O)=O)C2)o1 248049842 ASLWVMLLOYFWJX-CYBMUJFWSA-N 338.433 1.281 0 40 EDAB CCc1nsc(N2CCC(NC(=O)N3CCOCC3)CC2)n1 585092347 QXEJDRXWKRQVHT-UHFFFAOYSA-N 325.438 1.111 0 40 EDAB CC(C)(C)NS(=O)(=O)c1cnc(NC(=O)[C@@H]2CCCO2)s1 585125885 IBXMFKCQZDXSRN-QMMMGPOBSA-N 333.435 1.337 0 40 EDAB COc1cccc(CC(=O)N2CCO[C@H](c3nc(C)cc(O)n3)C2)c1 257226670 FLQGQDUSKKPJAJ-HNNXBMFYSA-N 343.383 1.642 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C 257203155 AOWRZRULXKWBEK-GJZGRUSLSA-N 326.466 1.366 0 40 EDAB COC[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1c1cnn(C)c1 585655712 SAVDQPKBXZOKJS-HOCLYGCPSA-N 343.431 1.383 0 40 EDAB CCn1cc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)c(C)n1 257230593 GDABFXKLKGTLMD-HNNXBMFYSA-N 343.431 1.784 0 40 EDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)Cn2c(C)nc3ccccc32)[C@H]1O 257236930 HEJGJIMZGGKPQK-JFIYKMOQSA-N 331.416 1.732 0 40 EDAB Nc1cc(CC[C@H]2CN(C(=O)CCCn3ccnc3)CCO2)ccn1 257273171 NFNQCJXERTWPIG-INIZCTEOSA-N 343.431 1.501 0 40 EDAB CC(=O)N1CCN(Cc2ccccc2OC(C)C)C[C@@H]1C(=O)N(C)C 257268572 MMGOYSIWKIUYLW-QGZVFWFLSA-N 347.459 1.595 0 40 EDAB Cc1cc2cc(OCC(=O)N[C@@H]3CCC[C@@H](O)[C@@H]3O)ccc2n1C 257210797 BWFNPPAWVGOVRO-QGPMSJSTSA-N 332.400 1.256 0 40 EDAB CC(C)c1cc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)O)C2)no1 263509464 BYVVANKJYADFIO-NSHDSACASA-N 337.376 1.193 0 40 EDAB CC(C)n1nccc1C(=O)N[C@H]1CCCN(c2nccnc2O)C1 275537561 FECNAOBDZHRZBQ-LBPRGKRZSA-N 330.392 1.358 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(C(=O)NCCCc2ccccc2F)C1 279864424 STJMZHOTRSHPQG-ZDUSSCGKSA-N 343.424 1.091 0 40 EDAB COc1ccc(S(=O)(=O)NC(=O)[C@H](C)Cn2ccnc2)c(C)c1 1615057472 DMSMOUWSUDENOW-GFCCVEGCSA-N 337.401 1.341 0 40 EDAB Cc1ncc(Br)cc1NC(=O)C1(S(C)(=O)=O)CC1 1615590427 NCERDPCUBHKUMC-UHFFFAOYSA-N 333.207 1.668 0 40 EDAB C[C@@H]1Sc2ccc(C(=O)N(C)Cc3nc(=O)o[nH]3)cc2NC1=O 1615549289 QZRWFLFKCJZTMK-ZETCQYMHSA-N 334.357 1.068 0 40 EDAB O=C(c1ccc2c(c1)CCC2)N1CCOC2(CCS(=O)(=O)CC2)C1 1615614999 MBGAUOOMYQSPAU-UHFFFAOYSA-N 349.452 1.595 0 40 EDAB CCC(=O)N1CC[C@H](NC(=O)c2cccc(OCC(=O)O)c2)[C@H](C)C1 1616040592 VCVOSPKBQARJOP-DOMZBBRYSA-N 348.399 1.527 0 40 EDAB Cn1cc([C@H](O)CNC(=O)C(=O)NCc2ccco2)c2ccccc21 96337278 QBJVLHGNYUHOMI-MRXNPFEDSA-N 341.367 1.237 0 40 EDAB Cn1ncc2c(O)nc(COc3nccc(C(F)(F)F)n3)nc21 647117084 JNOBXBHHNYOALV-UHFFFAOYSA-N 326.238 1.457 0 40 EDAB O=C(c1ccc(O)nn1)N1CCC[C@@H](Oc2ccncc2Cl)C1 575606134 SFTMZYHZSTUDFS-SNVBAGLBSA-N 334.763 1.914 0 40 EDAB CCc1nc2n(n1)C[C@H](NC[C@@H](O)c1ccc3c(c1)OCCO3)CC2 75131396 KSCMCCNSLMJXKU-ZIAGYGMSSA-N 344.415 1.250 0 40 EDAB Cc1cc(Br)ccc1S(=O)(=O)NCc1ccnn1C 133256841 IRHLFXXSKRQPPU-UHFFFAOYSA-N 344.234 1.970 0 40 EDAB O=c1ccc(-c2ccncc2)nn1C1CN(c2ncc(Cl)cn2)C1 1776009795 REVNPWPHVUITNO-UHFFFAOYSA-N 340.774 1.810 0 40 EDAB CC(C)CCNC(=O)C1CCN(c2ncnc3c2cnn3C)CC1 52433887 CPTZNCSHUMDDQM-UHFFFAOYSA-N 330.436 1.742 0 40 EDAB CC(=O)Nc1cccc(OCCNC(=O)N[C@@H](C)[C@H]2CCCO2)c1 78446762 WFGWIGXQDJLXPT-BLLLJJGKSA-N 335.404 1.891 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 78890025 RYSQQYZTCVQQPU-CQSZACIVSA-N 348.378 1.875 0 40 EDAB O=C(NCCCN1CCN(c2ccccc2)CC1)NC1CCOCC1 80089019 VKXARNYCLDTZEO-UHFFFAOYSA-N 346.475 1.677 0 40 EDAB O=C(NCCOc1ncc(Cl)cc1Cl)NCc1cc[nH]n1 84338954 SKPUEVMZGJJOIJ-UHFFFAOYSA-N 330.175 1.990 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)N1CCC[C@@H]1c1ccco1 84689424 KNDNXGDQNJNEHX-FRRDWIJNSA-N 341.433 1.247 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(c4ccnc(C)n4)CC3)nn2)n1 302146504 IEYNLOSWXPTSTF-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB Cn1ccc([C@@H]2CCCN(S(=O)(=O)CCC(F)(F)F)C2)n1 585389848 QUFASSPIUSGSNT-SNVBAGLBSA-N 325.356 1.882 0 40 EDAB CC(C)(O)C(C)(C)OB(O)c1cc(Br)cc(F)c1F 200315423 MLNDMDYHWVYEBJ-UHFFFAOYSA-N 336.969 1.981 0 40 EDAB COC(=O)c1cncc(CNS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c1 1615585365 CSRDDRFTYAWFTE-JKSUJKDBSA-N 346.408 1.844 0 40 EDAB Cc1cc(N2CCN(C)CC2)nc(SCC(=O)N2CCCCC2)n1 5744119 DSBYAKOFZLQCBO-UHFFFAOYSA-N 349.504 1.641 0 40 EDAB O=C(O)[C@@H](NCc1ccccc1)[C@@H](NCc1ccccc1)C(=O)O 19365588 FZEXWQSUEVTZEC-IYBDPMFKSA-N 328.368 1.472 0 40 EDAB OC[C@H](O)[C@H](O)c1nn(-c2ccccc2)c2nc3ccccc3nc12 1659032 SZIWVPXLZYHQFM-YOEHRIQHSA-N 336.351 1.355 0 40 EDAB CCCCNC(=O)CN1CCN(C(=O)Cc2ccccc2C)CC1 28008593 IZVNXYNZYGYFCP-UHFFFAOYSA-N 331.460 1.598 0 40 EDAB CC(C)Oc1ccc(CNC(=O)[C@H]2C(=O)NC[C@@H]2C(C)(C)C)cn1 585149488 ALHZKBPORCDHKZ-ZFWWWQNUSA-N 333.432 1.893 0 40 EDAB Cc1cc(N2CC[C@H](N(C)S(=O)(=O)C3CC3)C2)n2nc(C)cc2n1 1888853901 SRRMHZDWSSOJFG-ZDUSSCGKSA-N 349.460 1.349 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1 20949736 OVEMHZBFFVHDNK-OAHLLOKOSA-N 342.399 1.560 0 40 EDAB COc1cccc(-c2cc(C(=O)N3CCn4nccc4C3)n(C)n2)c1 238865254 LQALTBLHTRMMLH-UHFFFAOYSA-N 337.383 1.948 0 40 EDAB CN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)C3(F)CC3)C2)C1 1614927504 VLVSEPUTCBJZJJ-CRAIPNDOSA-N 347.434 1.881 0 40 EDAB CCOc1ccc(N2C[C@H](NC(=O)NC[C@@H]3CCCO3)CC2=O)cc1 4373642 SPJWCPFBTSFZJZ-CJNGLKHVSA-N 347.415 1.669 0 40 EDAB O=C(NCCn1ncc2c(N3CCCCC3)ncnc21)c1ccco1 11666012 HYWVBLCWTKJTOI-UHFFFAOYSA-N 340.387 1.840 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCOC[C@]23CC(C(=O)NC(C)C)=NO3)o1 2055793293 LRTUNQQBNZIYLO-RHSMWYFYSA-N 349.387 1.146 0 40 EDAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 42870914 SNHUCRWGPYFKNF-ZYHUDNBSSA-N 328.459 1.954 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(c2ncc(C(F)(F)F)cc2F)CCO1 2086856774 LWKVFOGYZUCCGY-NSHDSACASA-N 333.285 1.723 0 40 EDAB Cc1cc(OC2CN(C(=O)c3cc(C4CC4)on3)C2)n2ncnc2n1 618256465 RTNCMFFDCADTLE-UHFFFAOYSA-N 340.343 1.202 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1CCCN(c2cc3c(nn2)CCC3)C1 618257045 PQCLOVXNXYIHNI-OAHLLOKOSA-N 337.427 1.893 0 40 EDAB Cc1ccn(-c2ccc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2)n1 40529974 VJWGRYSGNPNYDG-HNNXBMFYSA-N 333.413 1.440 0 40 EDAB CCn1cc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@@H]2C)ccc1=O 96413511 FVVQRBKRNJQBSI-YVEFUNNKSA-N 339.395 1.856 0 40 EDAB O=C(OCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(CO)cc1 50500293 UHXCTJIYRXDALN-HZPDHXFCSA-N 333.384 1.506 0 40 EDAB NC(=O)[C@@H]1CC(C(=O)Nc2cccnc2)=NN1c1ccc(F)cc1 40497242 QBKJILKGOHTZJN-AWEZNQCLSA-N 327.319 1.279 0 40 EDAB NC(=O)C1CCN(CC(=O)NC[C@H]2CCCc3ccccc32)CC1 51185895 PLBBGRAZUCLKOX-MRXNPFEDSA-N 329.444 1.420 0 40 EDAB Cc1nc(CN2C(=O)[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2=O)oc1C 102048532 HYUDLRPBVFLXEJ-IYBDPMFKSA-N 339.395 1.908 0 40 EDAB O=C(CCc1nc(-c2cccs2)no1)N[C@@H]1CCS(=O)(=O)C1 32784484 FLSBVBNCLTYOOP-SECBINFHSA-N 341.414 1.034 0 40 EDAB Cc1cc(=O)n2nc(N(C)C[C@@H]3COc4ccccc4O3)sc2n1 32895069 UPVHPFIXGPJLLQ-LLVKDONJSA-N 344.396 1.736 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)Cn1nc(-c2ccccc2)ccc1=O 53427825 IUERSEHKANYJKX-INIZCTEOSA-N 341.411 1.938 0 40 EDAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@H](C(=O)N2CCOCC2)C1 23315726 YKLSWROMQBYOSO-SFHVURJKSA-N 342.439 1.886 0 40 EDAB CCN(CC)S(=O)(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 23404363 DUOTZCZBCGWOKR-NSHDSACASA-N 334.463 1.327 0 40 EDAB CO[C@H](CNC(=O)N1CCNC(=O)[C@@H]1C)c1ccc(Cl)cc1 80439785 GRTNXQKNCMFWHF-GXFFZTMASA-N 325.796 1.557 0 40 EDAB Cc1nc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cs1 31272160 YNQRMCCQWOFRLJ-ZDUSSCGKSA-N 344.440 1.554 0 40 EDAB CCN(CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC)o1)C(C)C 31387399 HUVSDGZHTQEGJI-LBPRGKRZSA-N 345.465 1.284 0 40 EDAB CC(C)c1noc(CS(=O)(=O)CC(=O)NCc2cccs2)n1 40528708 LJNKNQJKEWHWAH-UHFFFAOYSA-N 343.430 1.486 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)NCCN1C(=O)CSC1=O 40554792 XWAYRUGKLKNNSD-UHFFFAOYSA-N 345.384 1.001 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CCO[C@H]2CCCC[C@H]21 40553806 FLICBEPLHQPZEN-CVEARBPZSA-N 327.384 1.567 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)[C@@H]1CCCN(c2ncccn2)C1 32005793 VQQHOGULAWRLOC-HZPDHXFCSA-N 338.411 1.813 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CN1CCSC1=O)c1cccc(F)c1 29082365 FZJBMSSFXCRBFP-CQSZACIVSA-N 348.403 1.934 0 40 EDAB COc1ccc(S(=O)(=O)NCc2cccnc2N(C)C)cc1C 32438038 YFCPNNTXEMUOIA-UHFFFAOYSA-N 335.429 1.943 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1c(Cl)nc3ccccn13)C2 69776742 QEDCLCRCKTZKHT-UHFFFAOYSA-N 330.779 1.798 0 40 EDAB Cc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)noc2C)n1 40475409 DITQAZJRDBRHLQ-SNVBAGLBSA-N 338.389 1.300 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1ccc3c(c1)nnn3C)C2 69740520 QWOLVVUJAAVQIY-UHFFFAOYSA-N 325.376 1.339 0 40 EDAB COc1ccccc1N1CCN(C(=S)NC[C@@H]2CCCO2)CC1 9877235 ZPRXXZZWPAPDQB-AWEZNQCLSA-N 335.473 1.871 0 40 EDAB CO[C@H](CNC[C@@H]1CNc2c(C(N)=O)cnn2C1)c1ccccc1 69739564 SHJICEIHRHTEMD-IUODEOHRSA-N 329.404 1.001 0 40 EDAB COc1cccc([C@H](NC(=O)c2cnn(C)c2C)c2nccn2C)c1 29987241 NIKZFFQJSHDCBA-INIZCTEOSA-N 339.399 1.990 0 40 EDAB COc1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)NCC3)cn1 89466116 VEFDCBKOJXXOPM-UHFFFAOYSA-N 326.356 1.698 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@H](c2ccc(Cl)cc2)N1 12345653 ZWMSNEVBNKGRGL-WFASDCNBSA-N 347.802 1.969 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)N(CC(N)=O)C1CCCC1 47236525 CWYIIIAILOODCJ-UHFFFAOYSA-N 327.388 1.446 0 40 EDAB Cc1cccnc1NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 12552623 LLJOATKZTPWLSC-AWEZNQCLSA-N 341.346 1.588 0 40 EDAB CSc1nc(C)c(CCC(=O)O[C@H](C)C(=O)NC2CC2)c(C)n1 26705820 WEDZJXMOEBKOSH-LLVKDONJSA-N 337.445 1.958 0 40 EDAB CC[C@H]1CCCCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 27027157 RSJKHNOCQRCMCB-ZDUSSCGKSA-N 329.400 1.871 0 40 EDAB Cc1ccc([C@@H](CNC(=O)[C@H](C)n2cccn2)N2CCOCC2)o1 44686054 GLXICMDDCZQYIM-LSDHHAIUSA-N 332.404 1.535 0 40 EDAB O=C(NCCc1cccc(O)c1)[C@@H]1CCCN(c2ncccn2)C1 58192318 PBQFMEWWXJXRIT-OAHLLOKOSA-N 326.400 1.758 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC(C(N)=O)CC3)ccc12 2115433 UVPRISLWQVBUHS-UHFFFAOYSA-N 344.367 1.204 0 40 EDAB biogenic Cc1cc(O[C@H](C)C(=O)NCC(=O)O)c2c3c(c(=O)oc2c1)CCC3 2115158 UPFABIXLERMYCX-SNVBAGLBSA-N 345.351 1.558 0 40 EDAB biogenic COc1ncccc1CNC(=O)NC1CCN(c2ncccn2)CC1 44954120 AJWDXBKBOYNEJU-UHFFFAOYSA-N 342.403 1.348 0 40 EDAB COCCn1cc(NC(=O)N(C)Cc2ccc3c(c2)OCCO3)cn1 44973016 XOMGRHWRZXOWNJ-UHFFFAOYSA-N 346.387 1.965 0 40 EDAB COc1ccc([C@H](NC(=O)NC[C@H]2CCOC2)c2nccn2C)cc1 48297614 YSDSEAFGQIJPHK-CJNGLKHVSA-N 344.415 1.854 0 40 EDAB O=S1(=O)N=C(N2CCN(C[C@@H]3CCCCO3)CC2)c2ccccc21 48235236 MCUCUVFDBLQMCF-AWEZNQCLSA-N 349.456 1.322 0 40 EDAB CC(C)(C)CN(CCCO)CCOc1ccc(S(N)(=O)=O)cc1 69658941 UCSDDBRVUXIFFW-UHFFFAOYSA-N 344.477 1.443 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 7723192 WYPWTBCBFBOLPN-NEPJUHHUSA-N 326.393 1.315 0 40 EDAB Cc1ccc2cc(C(=O)NC3CCN(CC(=O)N(C)C)CC3)[nH]c2c1 68604241 NQAGYUGDLHKKBG-UHFFFAOYSA-N 342.443 1.759 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc2ncccc12 13628601 PDRQLGFGUHQHEW-CYBMUJFWSA-N 326.400 1.774 0 40 EDAB CN1[C@H](Cc2ccc3c(c2)OCO3)[C@@H](O)c2ccccc2S1(=O)=O 13654127 UAJMFZBNPZSMGP-DYVFJYSZSA-N 347.392 1.694 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(C(=O)[C@@H](C)n2cncn2)CC1 69492802 UQCRSWWDMCHTEL-OAHLLOKOSA-N 341.415 1.061 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cncn1)NCCOc1cccc(F)c1 69484840 IJWPLHQHDJKBOZ-HNNXBMFYSA-N 347.394 1.077 0 40 EDAB CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)NC(N)=O 65610193 PFMUFGAOKHZUEG-MRVPVSSYSA-N 346.200 1.994 0 40 EDAB CCc1[nH]c(C(=O)NCc2c(C)c(C)n[nH]c2=O)c(C)c1C(=O)OC 69617702 XELXHOFEWBLSRP-UHFFFAOYSA-N 346.387 1.302 0 40 EDAB O=C(O)[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 6528125 UPFMJOLFOIYFLW-GHMZBOCLSA-N 343.305 1.470 0 40 EDAB CC(C)(C)n1cc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cn1 65922814 CDTBZLKPLRHYKU-SECBINFHSA-N 332.326 1.987 0 40 EDAB CCn1cc(S(=O)(=O)Nc2ccc(F)cc2OCCO)cn1 66583059 WWJDWXWPMJKAIZ-UHFFFAOYSA-N 329.353 1.214 0 40 EDAB C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(N)=O 6872206 PHNRRZFPWNKWCO-GFCCVEGCSA-N 336.351 1.965 0 40 EDAB c1csc(-c2noc(CN3CCO[C@H](Cn4cncn4)C3)n2)c1 70021042 TXLZKJBZRMCZCB-NSHDSACASA-N 332.389 1.291 0 40 EDAB CCN1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)CC1 27984986 IGWLZKLGIKLHLX-UHFFFAOYSA-N 327.432 1.932 0 40 EDAB CN(C(=O)CCNC(=O)C(C)(C)C)[C@@H](C(N)=O)c1cccc(F)c1 69978178 ACZTXAAVQJFOTR-CQSZACIVSA-N 337.395 1.363 0 40 EDAB CN1CCCC[C@H]1CN1CCN(C(=O)c2noc3c2CCCC3)CC1 69950887 BFHUQMLQLJGYQL-HNNXBMFYSA-N 346.475 1.796 0 40 EDAB C[C@@H](C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)n1ccnc1 69923410 RMTJQEBCUSRENE-DOTOQJQBSA-N 328.416 1.322 0 40 EDAB CCc1nc2n(n1)C[C@H](NCCCn1c(=O)oc3ccccc31)CC2 69922006 TXBSBQWIMBKMMS-CYBMUJFWSA-N 341.415 1.743 0 40 EDAB CCc1nc(CN2CCN(C(=O)Cc3ccc(C)s3)CC2)no1 71896268 OEQOVPWUZYTASR-UHFFFAOYSA-N 334.445 1.889 0 40 EDAB O=C1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CCN1 71889246 QBJCRXFDDDTLES-UHFFFAOYSA-N 329.444 1.290 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059777 WTFJQRMSNPBKHH-CYBMUJFWSA-N 337.387 1.281 0 40 EDAB CS(=O)(=O)CCNC(=O)N1CCO[C@H](c2ccccc2Cl)C1 71803186 HIEQYSUNDAYUJP-ZDUSSCGKSA-N 346.836 1.468 0 40 EDAB O=C(CN1CSCC1=O)NC1(c2ccc(F)cc2)CCOCC1 71884383 VMAHTWSQQGJSPJ-UHFFFAOYSA-N 338.404 1.481 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cnn(-c2ccccc2)c1 71832844 NNXARJBIKQSHKG-CHWSQXEVSA-N 348.428 1.147 0 40 EDAB Cn1cc(CC(=O)N2CCC[C@H](N3CCNC3=O)C2)c2ccccc21 71841630 RXTCASIJDRGMHX-HNNXBMFYSA-N 340.427 1.737 0 40 EDAB CC(C)Oc1cccc(CC(=O)N2CCCN(CC(N)=O)CC2)c1 71832898 KZCDRWWRDOOWFT-UHFFFAOYSA-N 333.432 1.036 0 40 EDAB C[C@H](NC(N)=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 71846707 YAAZPOGZZGSERQ-LBPRGKRZSA-N 339.395 1.962 0 40 EDAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1nnc2ccccc2c1=O 75141476 KZJSRKCPTAUFTO-WWGRRREGSA-N 326.400 1.971 0 40 EDAB OCCN1CCN(CCOc2ccc(Br)cc2)CC1 96288997 XXGVJVGIUASUCV-UHFFFAOYSA-N 329.238 1.438 0 40 EDAB Cn1cnc(S(=O)(=O)NCCNc2ccc3ccccc3n2)c1 71914090 ORLKKMGTTGNZLK-UHFFFAOYSA-N 331.401 1.359 0 40 EDAB COc1ccc(CNC(=O)N2CCC[C@H](Cc3nccn3C)C2)cn1 89761397 DHBYIXCQGLLFLB-CQSZACIVSA-N 343.431 1.988 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)CN3CCCNC3=O)C2)sc1C 72297441 GGZUQBOJLWJGBI-ZDUSSCGKSA-N 336.461 1.881 0 40 EDAB CCN1CCO[C@@H](CN2CCN(C[C@H](O)c3ccccc3)CC2)C1 72279906 YGWAWMVYZZITBF-MOPGFXCFSA-N 333.476 1.058 0 40 EDAB Cc1cc(N2CCC[C@@H](NC(=O)CO)C2=O)ccc1Br 97095308 IWBVTUFFWFSMFJ-GFCCVEGCSA-N 341.205 1.361 0 40 EDAB O=C(N[C@H](C(=O)O)C1CC1)c1nc(C2CC2)n(-c2ccccc2)n1 89853289 LZUXDPUMKVRRNT-ZDUSSCGKSA-N 326.356 1.738 0 40 EDAB CC(C)N1C(=O)N[C@](C)([C@@H]2CCCN(CCn3cccn3)C2)C1=O 89869761 VTPWZTWYMBXGRH-RHSMWYFYSA-N 333.436 1.314 0 40 EDAB COc1ccc2cc(CN3CCN(CCO)C(=O)C3)c(Cl)nc2c1 72308798 YADJDJNDOKTLKG-UHFFFAOYSA-N 349.818 1.533 0 40 EDAB O=C(NCCCN1CCOCC1)Nc1cnn(-c2ccccc2F)c1 84515015 YQAWXZKFBBEHLF-UHFFFAOYSA-N 347.394 1.855 0 40 EDAB C[C@@H](CN1CCN(C)CC1)NC(=O)NCc1cc(F)cc(F)c1 95389630 LZSWJDGMCDFUHX-LBPRGKRZSA-N 326.391 1.400 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c(C)c1 95457679 AQSPPIPUIYKFMP-XJKSGUPXSA-N 341.429 1.620 0 40 EDAB CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3c(C)cccc23)C1 95400557 SJVPSCPVUMSMEZ-CQSZACIVSA-N 349.456 1.559 0 40 EDAB O=C(NC1CCC(N2C(=O)CCC2=O)CC1)[C@@H]1CC1(Cl)Cl 95440331 YAWIDKWXGFINOW-RTBKNWGFSA-N 333.215 1.757 0 40 EDAB Cc1cc(NC(=O)c2ccncc2I)nn1C 95447344 NHNCWKMIWQJVLI-UHFFFAOYSA-N 342.140 1.980 0 40 EDAB CC[C@@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@@H]1N1CCOCC1 84736130 MPORXLGBJBPNDF-ZBFHGGJFSA-N 343.431 1.221 0 40 EDAB O=c1cc(CN2CCC[C@@H](c3nnc4ccccn34)C2)[nH]c2ccnn12 76394960 VSQVKTNVKBFLCW-CYBMUJFWSA-N 349.398 1.445 0 40 EDAB CN(C)CCN1CCC(CNC(=O)[C@@H]2Cc3ccccc3O2)CC1 74138102 BHCUALDXSQYIKV-SFHVURJKSA-N 331.460 1.380 0 40 EDAB CN(CC(=O)NC[C@@]1(O)CCCc2ccccc21)[C@@H]1CCSC1 95978649 AYYBENRATIDSFJ-QAPCUYQASA-N 334.485 1.764 0 40 EDAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)on1 95954240 WKMVULWYYZVFEG-STQMWFEESA-N 341.433 1.318 0 40 EDAB Cc1nnnn1CCNC(=O)c1ccc(N2CCC(C)CC2)nc1 95945616 PKPCWUNTDZIXCT-UHFFFAOYSA-N 329.408 1.043 0 40 EDAB O=C(NC[C@H](O)c1ccsc1)c1c[nH]c(=O)c(Br)c1 78939636 DHGXPSITURGXCB-JTQLQIEISA-N 343.202 1.662 0 40 EDAB CCn1cc(C(=O)NCCO)c(=O)c2cc(C(F)(F)F)ccc21 22236656 BBJWIXQJFJIUQF-UHFFFAOYSA-N 328.290 1.762 0 40 EDAB CN(CC(=O)NC1CCC2(CC1)OCCO2)C[C@H]1CCCCO1 125981886 OJPPETMAUHUGGE-OAHLLOKOSA-N 326.437 1.289 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)NC1CC1)Cc1cccc(Cl)c1 547556788 DIIMGOVQXOBITM-JTQLQIEISA-N 332.809 1.170 0 40 EDAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)NCc1cccnc1 32123958 RCEORHYVFWSKMW-HNNXBMFYSA-N 338.367 1.878 0 40 EDAB biogenic CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(F)cn2)c(C)n1 1032655482 ZPUIQXCQLGQKJB-HOTGVXAUSA-N 343.406 1.844 0 40 EDAB O=C(C1CCCCC1)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 72346928 SLXXRWMDILKZAL-UHFFFAOYSA-N 330.432 1.835 0 40 EDAB CS(=O)(=O)c1nsc(NC(=O)Cc2ccc(Cl)cc2)n1 36626347 KENDXPASGJPYQA-UHFFFAOYSA-N 331.806 1.776 0 40 EDAB CC(C)C(=O)N1CCO[C@@H](c2ncncc2-c2ccnc(N)c2)C1 72370842 BKZHZPJZVHIXKN-CQSZACIVSA-N 327.388 1.677 0 40 EDAB Cc1cc(Nc2nccs2)nc([C@@H]2CCCCN2CC(N)=O)n1 72383574 ZLZGLPIONZNVIB-NSHDSACASA-N 332.433 1.997 0 40 EDAB CCN1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 76938540 BFBMCPBOGGQHBO-UHFFFAOYSA-N 346.399 1.390 0 40 EDAB COc1ccc(C[C@@]2(c3cccc(OC)c3)NC(N)=NC2=O)cc1 71975283 OZYDMJFHHAWZPH-SFHVURJKSA-N 325.368 1.586 0 40 EDAB CC(=O)N1CCC(N2CC[C@H](c3nnc(-c4ccncc4)o3)C2)CC1 49169632 PLCRTOUXTSXVMA-HNNXBMFYSA-N 341.415 1.932 0 40 EDAB biogenic,in-vitro CNS(=O)(=O)CC(=O)NCc1ccc(-c2ccccc2F)o1 83601269 BLRBFLAXJMUKMA-UHFFFAOYSA-N 326.349 1.251 0 40 EDAB O[C@H](CN[C@@H]1CCCN(c2ncccn2)C1)COCc1ccco1 48279903 CCKKVXUURISJBL-HUUCEWRRSA-N 332.404 1.206 0 40 EDAB COCCCNC(=S)Nc1nc(Cl)cc(N2CCOCC2)n1 225902530 FKOBQSIZCACKBG-UHFFFAOYSA-N 345.856 1.290 0 40 EDAB CCOC(=O)c1cnc(NC(=S)NCc2ccccn2)nc1C 225196952 OJAIYKNKYJGYTM-UHFFFAOYSA-N 331.401 1.843 0 40 EDAB CCCOCc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OC 224417058 WMBOOZQEMPZWCV-UHFFFAOYSA-N 334.416 1.959 0 40 EDAB COC(=O)[C@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Cl)c2)C1 45958140 VBAVQRANHUCDRG-NSHDSACASA-N 338.791 1.703 0 40 EDAB Cn1cccc1-c1noc(CNC(=O)Cc2ccc3c(c2)OCO3)n1 225766293 RCARSSVJBJPVPD-UHFFFAOYSA-N 340.339 1.663 0 40 EDAB O=C(c1ccoc1)N1CCCn2c(nc(Cn3ccnc3)cc2=O)C1 96197578 CVJQHZQGJBGIRE-UHFFFAOYSA-N 339.355 1.127 0 40 EDAB C[C@@H]1COCCN1S(=O)(=O)NCCc1csc2ccccc12 95402864 UYTFAACOUZNRID-GFCCVEGCSA-N 340.470 1.999 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2nccs2)Cc2nccn2C1 96059128 HKZXSUCIZRJZQO-CYBMUJFWSA-N 349.460 1.076 0 40 EDAB CCSc1ccccc1C(=O)NC[C@H](O)Cn1ccccc1=O 96124359 MSMIKTREMSQJLS-ZDUSSCGKSA-N 332.425 1.751 0 40 EDAB CO[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@H]1Cc1ccccc1 96069907 ODHJFJKSNNKUKM-GJZGRUSLSA-N 335.429 1.441 0 40 EDAB O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21 96040762 LKSHHUSPFHDACY-OAGGEKHMSA-N 339.399 1.205 0 40 EDAB O=C(NC1CCC1)[C@H]1C[C@@H]2CN(C(=O)NCc3ccccc3)C[C@H]1O2 96253100 SADONCPCGQWRKE-IXDOHACOSA-N 343.427 1.654 0 40 EDAB Cc1cc(CN2CCC[C@H](CNS(N)(=O)=O)C2)c2ccccc2n1 96412954 IKRSTBTUHRAGMM-CQSZACIVSA-N 348.472 1.548 0 40 EDAB Cc1cccc(CN2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)n1 96225518 KYABGVGTZQECFY-SFHVURJKSA-N 330.432 1.978 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1CCOC1 96439420 CFPMQYVGGVMSPG-IRXDYDNUSA-N 346.475 1.533 0 40 EDAB CS(=O)(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159762 CRDOBLHTZDLYFX-HNNXBMFYSA-N 326.393 1.210 0 40 EDAB c1cncc(N2CCOC[C@@]3(CN(Cc4ccoc4)CCO3)C2)c1 96049852 SORHIOWFYTYAHG-GOSISDBHSA-N 329.400 1.782 0 40 EDAB COC[C@H](C)NC(=O)CCc1nc(-c2ccc(OC)c(OC)c2)no1 143531254 JPMGIEWWHQEJJV-NSHDSACASA-N 349.387 1.838 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1C[C@H](O)COCc1ccccc1 48332582 AHLKUNLJAXTTEQ-HNNXBMFYSA-N 332.400 1.819 0 40 EDAB O=C(NCc1cccs1)[C@H]1CO[C@@H]2CN(Cc3ccccn3)C[C@@H]21 96216850 NIGNLAOJRFZWCQ-IXDOHACOSA-N 343.452 1.906 0 40 EDAB CC1(C)CN=C(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)S1 96461151 NTYGUOAAHKWDSP-UHFFFAOYSA-N 333.461 1.538 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N[C@@H]3CCc4nc(C)cn4C3)ccc21 97198718 QTNSEFNAKUMGBS-MRXNPFEDSA-N 338.411 1.845 0 40 EDAB O=C(c1cnccn1)N1CCn2cc(CN3CCCCC3)nc2C1 96197265 BHJWWUPQNYDHGF-UHFFFAOYSA-N 326.404 1.315 0 40 EDAB Cn1ccnc1C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 96421347 QOVWRYJAYRIZEU-NSHDSACASA-N 343.305 1.609 0 40 EDAB CCS(=O)(=O)N1CCn2c(COc3cccnc3)cnc2[C@@H]1C 96109846 GVXHRIQZMIQXEN-LBPRGKRZSA-N 336.417 1.583 0 40 EDAB O=C1NCCO[C@H]2CN(C(=O)c3csc4ccccc34)CC[C@@H]12 96205848 RCFPNFIDDGXIQG-OCCSQVGLSA-N 330.409 1.878 0 40 EDAB CCN(C)c1ncnc2c1CCN(C(=O)Cc1ccccn1)CC2 96255804 TXNAAHHYNUIISM-UHFFFAOYSA-N 325.416 1.498 0 40 EDAB COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@H]2C1 96245460 RABHZDVKGUUOHM-HUUCEWRRSA-N 334.391 1.669 0 40 EDAB CN(C[C@@H]1CCC[C@@H]1O)c1cc(N(C)C[C@H]2CCC[C@@H]2O)ncn1 97096902 GNMVBTANDDXKRY-FZKCQIBNSA-N 334.464 1.671 0 40 EDAB CCn1cc(NC(=O)N[C@@H](Cc2ccccc2)c2nc(O)n[nH]2)cn1 585136098 PWBRSJBSGGPXHU-ZDUSSCGKSA-N 341.375 1.832 0 40 EDAB CC(C)(C)C1CC(NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)C1 582890439 OEVWRHHKGIZKFL-PIMMBPRGSA-N 335.452 1.942 0 40 EDAB Cc1c(S(=O)(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)cnn1C 585142091 OUVGYADRMCCKAR-GJZGRUSLSA-N 346.456 1.137 0 40 EDAB Cc1cn2c(=O)c(C(=O)NC[C@H](C)CN3CCCC3)cnc2s1 92881047 ABQXEWZCGYEILI-NSHDSACASA-N 334.445 1.526 0 40 EDAB CCCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2-c2nn[nH]n2)C1 585128928 RDTHQXQWOJZNIG-LBPRGKRZSA-N 342.403 1.844 0 40 EDAB Cn1nc(CN2CCCC2)c2c1CN(C(=O)c1ccncc1F)CC2 96084175 KTHDUIOAOPWWTQ-UHFFFAOYSA-N 343.406 1.749 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](COc3ccccn3)CCN2C)C1 248147599 SHOREJATCPJIJI-AWEZNQCLSA-N 339.461 1.206 0 40 EDAB COCC(=O)NCC[C@@H]1CN(Cc2ccc(C)o2)Cc2ccnn21 248061636 DBSGVPMAEKMFNL-CQSZACIVSA-N 332.404 1.494 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 257312507 UOHMKDXGBJEUQL-OAHLLOKOSA-N 342.390 1.498 0 40 EDAB CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)CCc1cccs1 257221293 DOIZBVJPDIUSKD-KRWDZBQOSA-N 346.456 1.571 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ncccc1C 257222261 DSPBTUNNHIAZKV-QGZVFWFLSA-N 325.372 1.058 0 40 EDAB CCC(CC)n1nc(C(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)cc1C 583619040 ZGTDPZGPDOBVPU-KRWDZBQOSA-N 346.435 1.795 0 40 EDAB CO[C@H]1C[C@@H](C(=O)NC2CCC(O)(c3cccnc3)CC2)N(C)C1 583619944 HMBIWHHNXJRFCJ-LPMVOBIJSA-N 333.432 1.047 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2cncc(C)c2)n1 257253520 JZGLNOPWYZMEDC-QGZVFWFLSA-N 339.399 1.793 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@H](OCc3ccccn3)CCO2)C1 253489506 FLMJUPPWIKZNGK-CQSZACIVSA-N 326.418 1.181 0 40 EDAB CN1CCN(C[C@]2(O)CCN(C(=O)c3cccc(Cl)c3)C2)CC1 257320897 VZCVLOPSCUUTRV-QGZVFWFLSA-N 337.851 1.164 0 40 EDAB Cn1cc(-c2cnc(C[C@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1 257345008 ZZOMOWCCGLJMGN-GFCCVEGCSA-N 335.433 1.091 0 40 EDAB CN(C[C@@H](O)CN1CCOCC1)c1ncc(Br)cc1F 584908740 GXCQBJSSDDJEFK-LLVKDONJSA-N 348.216 1.113 0 40 EDAB Cc1cccc(NC(=O)N2CCN(C(=O)C3(C(=O)O)CC3)CC2)c1 262305408 MBKGGEMLWWQKSX-UHFFFAOYSA-N 331.372 1.536 0 40 EDAB O[C@H]1[C@H]2C[C@@H]3[C@@H]4[C@@H]2C[C@H]([C@@H]4O)N(c2nc(C(F)(F)F)cs2)[C@@H]13 606445136 XAOIMKHXOZLAGE-PRROXSKESA-N 332.347 1.727 0 40 EDAB Cc1cccc(S(=O)(=O)Nc2cnc(N(C)C)nc2N(C)C)c1 96098779 SRNCOEVNYZEFFG-UHFFFAOYSA-N 335.433 1.718 0 40 EDAB Cc1ccccc1OCC(=O)NCCn1nc(C2CC2)ccc1=O 575606910 HCMHGAZJNIGGKA-UHFFFAOYSA-N 327.384 1.624 0 40 EDAB COc1nc(CNC(=O)Nc2ccc(C)c(F)c2)nc(N(C)C)n1 575603353 FBERUZBMDWKSIL-UHFFFAOYSA-N 334.355 1.715 0 40 EDAB Cn1cc(CCC(=O)N2CC[C@](O)(COc3cccc(F)c3)C2)cn1 585272351 NJKINIJKMGDUFM-GOSISDBHSA-N 347.390 1.534 0 40 EDAB O=C(Cc1ccccn1)N1CCO[C@](CO)(Cc2ccccc2)C1 585278882 WNXXSXXGQPUAKR-LJQANCHMSA-N 326.396 1.457 0 40 EDAB Cc1ccc(OC[C@@]2(O)CCN(C(=O)c3ccn(C)c(=O)c3)C2)cc1 585277042 RSLCEZDSWIPNHH-LJQANCHMSA-N 342.395 1.350 0 40 EDAB O=C(Cn1ccc2ccccc21)N1CCN(S(=O)(=O)C2CC2)CC1 44227326 AKOVHMJGBIYKKX-UHFFFAOYSA-N 347.440 1.278 0 40 EDAB C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1nc(-c2ccc(F)cc2)no1 58328734 XKMLXELBTADLQD-SECBINFHSA-N 345.334 1.661 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCCCC3)C2)CC1 69527710 PYOXBUXMFRCKHP-HNNXBMFYSA-N 335.448 1.248 0 40 EDAB CCc1noc([C@@H](C)N2CCN(CCOCC(F)(F)F)CC2)n1 69627938 NNFLAVSFVZFESW-LLVKDONJSA-N 336.358 1.890 0 40 EDAB Cn1cc(S(=O)(=O)N[C@H]2C[C@H](N)C23CCC3)c(C2CCCC2)n1 1615057028 CXBBLPZSLISOCN-KBPBESRZSA-N 338.477 1.626 0 40 EDAB Cc1nnc(N2CCN(C(=O)C[C@H](C)C3CC3)CC2)c(C(N)=O)c1C 1615576043 YPHZFDMEEXMRHF-NSHDSACASA-N 345.447 1.277 0 40 EDAB CCN1C(=O)C[C@H](C(=O)N(C)Cc2ccccn2)[C@H]1c1nccn1C 1615589863 LVYSWFGBIFAJFM-HOCLYGCPSA-N 341.415 1.383 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)N1CCC(CN(C)C)CC1 1615614027 DIQFFQLJQIBSNP-LJQANCHMSA-N 331.460 1.596 0 40 EDAB C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O 3412817 PJGCWKMZBLUPLO-ANLVUFKYSA-N 328.173 1.106 0 40 EDAB in-vitro CCOC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 12086051 LRVGWMCYHJOPCC-XIKOKIGWSA-N 346.383 1.469 0 40 EDAB CNC(=O)[C@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1cc(C)ccc1O2 12086720 NJONWAYDCBHDNO-ORAYPTAESA-N 344.411 1.846 0 40 EDAB Cc1cc2c(=O)n3c(nc2s1)CCN(Cc1cnc(C)n1C)CC3 12088365 UXWZQXDUSUPONU-UHFFFAOYSA-N 343.456 1.867 0 40 EDAB COCCCNC(=S)N1CCC(NC(=O)c2ccco2)CC1 13555736 DGVVEBKDGWVKIA-UHFFFAOYSA-N 325.434 1.385 0 40 EDAB CS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCC2)cc1 13673701 GUCUOBPBNCLJSI-UHFFFAOYSA-N 325.434 1.274 0 40 EDAB O=c1[nH]c2cc3c(cc2cc1CNCCCN1CCOCC1)OCO3 13998417 FRNBUOKYEURFHP-UHFFFAOYSA-N 345.399 1.069 0 40 EDAB Cn1nc(Oc2nc(NC3CC3)nc(NC(C)(C)C)n2)ccc1=O 16856962 KQQWAVHKSFPANY-UHFFFAOYSA-N 331.380 1.542 0 40 EDAB Cc1ccc(-n2ncc3c(N4CCN(CCO)CC4)ncnc32)cc1 17052432 JSFWPOGDRKJTFK-UHFFFAOYSA-N 338.415 1.238 0 40 EDAB CCCCn1cc(S(=O)(=O)NC[C@@H](C)N2CCCC2)c(C)n1 19502444 MBEMUPCWQRHXRL-CYBMUJFWSA-N 328.482 1.754 0 40 EDAB Cc1c([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)n2c(nc1=O)CCC2 19554864 XZUUBTDTMPQNBE-ZDUSSCGKSA-N 341.415 1.251 0 40 EDAB COc1cc(N2CCN(c3ncnc4sccc34)CC2)ncn1 162442343 JGGLDJNFRPTAFO-UHFFFAOYSA-N 328.401 1.817 0 40 EDAB COc1cccc(O[C@H]2CCN(Cc3cn(C)cn3)CC[C@@H]2O)c1 643913560 BSMSTOIDXXULJQ-ROUUACIJSA-N 331.416 1.833 0 40 EDAB COCc1nsc(N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)n1 1888853073 DRFZZHGHERRSOE-RYUDHWBXSA-N 344.396 1.310 0 40 EDAB Cc1cc(CN2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)on1 1888897004 AMOZXMMSGSEACF-CHWSQXEVSA-N 339.403 1.228 0 40 EDAB Cc1nc(N2CCN(Cc3cccnc3)CC2)cc(-n2cccn2)n1 1889139397 BRWLLWUAENIWGE-UHFFFAOYSA-N 335.415 1.688 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC(=O)NCc3ccccc3)CC2)n1 27812930 DALBUZCMHFCEKY-AWEZNQCLSA-N 343.431 1.373 0 40 EDAB O=C(c1cc(O)ncn1)N1CCN(c2nsc3ccccc23)CC1 244909810 AWQGWXFDWHXRND-UHFFFAOYSA-N 341.396 1.754 0 40 EDAB O=C1NC[C@@H](c2ccccc2)C12CCN(S(=O)(=O)C1CC1)CC2 1259272843 PVIADOASYFZDRL-HNNXBMFYSA-N 334.441 1.474 0 40 EDAB Oc1cc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)nc(O)n1 1565520709 IFIXYFBYUNWZBL-UHFFFAOYSA-N 342.281 1.023 0 40 EDAB C[C@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 2944226 HOIPITSALYMZEM-QLFBSQMISA-N 345.509 1.037 0 40 EDAB COc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1OC 5251315 KUTRUIVCVZJHIP-UHFFFAOYSA-N 332.360 1.045 0 40 EDAB COC1(CC(=O)N2CC[C@@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)CCC1 2055771781 XTOFRTSTIXIMBE-MGPQQGTHSA-N 334.420 1.751 0 40 EDAB Cc1cnn(CCN2CCN(c3cc(N4CCCC4)ncn3)CC2)c1 2086884413 OTMPHEJCLLJESB-UHFFFAOYSA-N 341.463 1.404 0 40 EDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCOCCn1cccn1 575620405 SIXKHFADJNUENX-CYBMUJFWSA-N 347.371 1.212 0 40 EDAB O=C(NCc1ccc([C@H](O)c2ccco2)s1)C(=O)Nc1ccon1 206686798 SUJAKBLOUCSDAD-CYBMUJFWSA-N 347.352 1.666 0 40 EDAB O=S(=O)(N1CCCC1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390829976 HWVRCVFVYKCJTJ-KBPBESRZSA-N 337.445 1.796 0 40 EDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 540695 ZVBPDJBZBVKMAA-LMOYCYGVSA-N 337.734 1.939 0 40 EDAB CNC(=O)c1cc(NC(=O)NCc2ccc(N(C)C)nc2)ccc1F 50088602 BUGRMYOWAOVMHG-UHFFFAOYSA-N 345.378 1.968 0 40 EDAB C[C@H](Sc1nncs1)C(=O)Nc1ccc(-n2cncn2)nc1 40134983 CXFGGSJXUWPABC-QMMMGPOBSA-N 333.402 1.633 0 40 EDAB O=C(NC1(C(=O)O)CCCCC1)c1ccc(Cn2cncn2)cc1 84404933 ROELLNDJQSMEOW-UHFFFAOYSA-N 328.372 1.844 0 40 EDAB COC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@@H]12 1255067 PRQQFNDOCVAYKE-IQJOONFLSA-N 349.389 1.751 0 40 EDAB COc1ccc(CCN2C[C@@H](C(=O)NC(C)C)CC2=O)cc1OC 220487 CPIJSAMWFYBDMF-AWEZNQCLSA-N 334.416 1.619 0 40 EDAB C[C@@H]1NC(C(=O)N[C@@H](C)[C@H]2CCCO2)=NN(c2ccccc2)C1=O 106063793 ONCWQBLXJUMXNF-SGMGOOAPSA-N 330.388 1.009 0 40 EDAB Nc1nc(CN2CCN(Cc3cccnc3)CC2)nc2ccccc12 25029037 HFKDEXHPFXDBPR-UHFFFAOYSA-N 334.427 1.925 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)n1 78889590 YLNONTARWPGJKB-TZMCWYRMSA-N 345.403 1.691 0 40 EDAB CCc1cc(=O)[nH]c(CN2CCN(CCc3cccs3)CC2)n1 79102191 JNVRHCDSSSQPAA-UHFFFAOYSA-N 332.473 1.754 0 40 EDAB Nc1ccc(S(=O)(=O)CCS(=O)(=O)c2ccc(N)cc2)cc1 1760564 IKPXLKVSMMAKSV-UHFFFAOYSA-N 340.426 1.099 0 40 EDAB Cc1cccc(NC(=O)Cn2ccc3c(cnc4nc(C)nn43)c2=O)n1 79495262 UBTDDTFBAGDVRS-UHFFFAOYSA-N 349.354 1.090 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@H]3CCN(c4ccccc4F)C3=O)CCO2)n1 107056773 BVKXDJOCFGIKFF-GJZGRUSLSA-N 345.378 1.431 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 56073322 QEDWBXTYXLLZLE-GFCCVEGCSA-N 330.381 1.725 0 40 EDAB Cc1occc1C(=O)Nc1cc(N[C@H](C)C(=O)NC(N)=O)ccc1F 56154819 HEEFPWUGSUJARW-MRVPVSSYSA-N 348.334 1.975 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C1 56489523 RWQMSKSBIVPSSU-XJKSGUPXSA-N 345.399 1.426 0 40 EDAB COCc1nc([C@@H]2CCCCCN2S(=O)(=O)N(C)C(C)C)no1 108385320 FENSCLUMPJYCNX-LBPRGKRZSA-N 346.453 1.718 0 40 EDAB C[C@@H](CNC(=O)c1ccc(N2CCOC2=O)cc1)CN1CCCC1=O 58024643 KFXOCOWJVDJHBP-ZDUSSCGKSA-N 345.399 1.632 0 40 EDAB COc1ccccc1NC(=O)C[C@H](NCCCn1ccnc1)C(=O)O 8496162 WTPUFUSKDFKFBO-AWEZNQCLSA-N 346.387 1.353 0 40 EDAB COc1ccc(Cl)cc1NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 58194170 VHAJRJBOLTZOAD-LLVKDONJSA-N 346.836 1.454 0 40 EDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccccc2C)C(=O)N1 10385064 WCJRKUSCLJHNDJ-CHWSQXEVSA-N 336.413 1.487 0 40 EDAB O=C1C[C@@]2(CCSC2)C(=O)N1C[C@H](O)COc1ccc(F)cc1 58201593 LGVQEIANXDGBIA-BLLLJJGKSA-N 339.388 1.448 0 40 EDAB Cn1c(COc2nc(-c3ccccc3Cl)no2)cc(=O)n(C)c1=O 58283278 DCCDGSVFTQOWQK-UHFFFAOYSA-N 348.746 1.366 0 40 EDAB COCC(=O)N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 44950714 WUECJKMJKHZYCY-LLVKDONJSA-N 336.417 1.650 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)CCc2c[nH]c3ccccc23)CCO1 10498654 HXGMURXRKAHYGP-ZDUSSCGKSA-N 330.384 1.891 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1Cc1nnnn1Cc1ccccc1 45101191 BKEAQXHHZNRZAL-UHFFFAOYSA-N 340.387 1.476 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCCC(=O)N2CCC[C@@H](C)C2)C1 95393537 GFHQZCSHLCXVGR-KFWWJZLASA-N 345.509 1.447 0 40 EDAB c1csc(CN2CCOC[C@]3(C[C@@H](CN4CCCC4)CO3)C2)n1 107738777 FXBZZXVUKMYBTK-RDJZCZTQSA-N 337.489 1.846 0 40 EDAB COc1ccccc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 2338257 YNIOTYBQGNIJAR-UHFFFAOYSA-N 328.324 1.679 0 40 EDAB O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2 28325835 KFWKGVXSPLYZBT-MRXNPFEDSA-N 334.441 1.607 0 40 EDAB Cc1cc(NC(=O)CCN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)no1 11381198 VNTBSGTZXHBZDZ-QFYYESIMSA-N 334.376 1.812 0 40 EDAB COC(=O)c1c(NC(=O)CSc2ncn[nH]2)sc2c1CCC2 11340726 MBVWZWOKKQEJMV-UHFFFAOYSA-N 338.414 1.872 0 40 EDAB O=S(=O)(c1ccc(Br)s1)N1CCCNCC1 36724803 CXRAIDIJRYQVIW-UHFFFAOYSA-N 325.253 1.495 0 40 EDAB in-vitro COc1cccc(CCC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1 29195438 RPMJTUZFRHHJTE-CQSZACIVSA-N 340.445 1.168 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c1 46036420 YZNIHPUMXSJVKS-ZIAGYGMSSA-N 340.445 1.609 0 40 EDAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCN1CCOCC1 20492966 AGFHDUDGYBKRTB-QGZVFWFLSA-N 336.432 1.691 0 40 EDAB Cn1ccc(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)n1 2776926 ZLZHOUYVLUTUFE-UHFFFAOYSA-N 327.310 1.829 0 40 EDAB Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C4OCCO4)C3)nn2)n1 95960591 NUHKVYASYMPAQL-CQSZACIVSA-N 329.404 1.868 0 40 EDAB O=C(NCCNc1ncccn1)[C@@H]1COc2ccc(Cl)cc2C1 47106073 XLFOLUQGLVMBFP-LBPRGKRZSA-N 332.791 1.909 0 40 EDAB CCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O 3015712 KRVNERZDHNEZET-UHFFFAOYSA-N 339.399 1.767 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)NC2CCCCC2)cc1 47579413 IJGRQEDVRXPLBF-UHFFFAOYSA-N 325.434 1.727 0 40 EDAB O=C1C(=O)N(C2CCCC2)C(=O)N1CCOCCOc1ccccc1 48353861 ZFSYEJJFWKJETB-UHFFFAOYSA-N 346.383 1.815 0 40 EDAB C[C@@H](NC(=O)C[S@@](=O)Cc1cccc2ccccc12)C(=O)N(C)C 95417597 VOJFRVBLVBIAIB-YEBMWUKDSA-N 346.452 1.681 0 40 EDAB CN1CCN(CCNC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 64621505 KHSQRKARZYJKMK-UHFFFAOYSA-N 333.329 1.822 0 40 EDAB COc1ccccc1O[C@@H](C)CNC(=O)c1cnc(N(C)C)cn1 95456917 CFUDIYSUUWOCTB-LBPRGKRZSA-N 330.388 1.749 0 40 EDAB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCc2ccco2)c1 65593382 JKBRHHWOKHPTBU-UHFFFAOYSA-N 343.426 1.778 0 40 EDAB CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1F 65537427 QYLKFBCSTVKNOD-CMPLNLGQSA-N 346.449 1.804 0 40 EDAB CCN1CCc2ncnc(N3CCC(NC(=O)C4CC4)CC3)c2C1 65521532 AYYARSTXRGVONC-UHFFFAOYSA-N 329.448 1.350 0 40 EDAB CCCN1CCC(CNC(=O)C2CCN(c3ncccn3)CC2)CC1 65576152 MRAMWOXUGWIOBL-UHFFFAOYSA-N 345.491 1.931 0 40 EDAB CC(C)[C@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)n1cncn1 65553127 CDZFXXXVDWHVKQ-OAHLLOKOSA-N 348.838 1.872 0 40 EDAB CN(C)C(=O)c1cccc(NC(=O)CN(C)C(=O)c2ccco2)n1 95401025 CRFBINKAOIGOGS-UHFFFAOYSA-N 330.344 1.087 0 40 EDAB CCO[C@H](CC)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 65626521 KCWXGAKQZMACNG-QGZVFWFLSA-N 347.459 1.262 0 40 EDAB Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cnccn3)CC2)c1 71793469 XBXUUDHIIWDLBX-OAHLLOKOSA-N 326.400 1.901 0 40 EDAB O=C(NCCc1nnc2n1CCC2)c1ccc(OCC2CC2)nc1 66627015 IVVKOIWHYSORCC-UHFFFAOYSA-N 327.388 1.381 0 40 EDAB O=C1CN(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C(=O)N1 71856761 WVMCSJVVRYXACM-UHFFFAOYSA-N 334.719 1.121 0 40 EDAB C[C@@H](NS(C)(=O)=O)C(=O)NCCc1nc(C(C)(C)C)cs1 71856915 AIBVDDGEEATRND-SECBINFHSA-N 333.479 1.037 0 40 EDAB O=C(c1cnc2sccn2c1=O)N1CCC[C@@H]1Cn1cccn1 71866287 JRFSZKZSQANNMY-LLVKDONJSA-N 329.385 1.257 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)NCCCN2CCC[C@H](C(N)=O)C2)o1 71856635 AIAXVQBNPCBGLQ-KGLIPLIRSA-N 336.436 1.536 0 40 EDAB CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)Cn2cnnn2)cc1 7036416 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EDAB O=C(CN1CCc2[nH]c3ccc(Cl)cc3c2C1)N1CCNC1=O 69619765 ZVEIPYYQBRRVKK-UHFFFAOYSA-N 332.791 1.731 0 40 EDAB COCCN1CCN([C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1=O 91830695 INPNAVRNVZNKDG-QGZVFWFLSA-N 345.443 1.281 0 40 EDAB C[C@H](OC[C@H](O)CNC[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1 72254050 RIMQWFGSNOPHFA-IAOVAPTHSA-N 342.867 1.699 0 40 EDAB COC(=O)C[C@H](C)NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 72284742 DMEKMXSAHSEHEP-VIFPVBQESA-N 325.752 1.859 0 40 EDAB O=S(=O)(Cc1ccc(Cl)nc1)NCCCOC[C@@H]1CCCO1 72230450 FXFZWJFDLIQNSS-ZDUSSCGKSA-N 348.852 1.740 0 40 EDAB O=C(CN1CCCS1(=O)=O)N1CCC[C@@H]1Cc1cccc(F)c1 69847338 URZBKUCCQFZYTJ-OAHLLOKOSA-N 340.420 1.395 0 40 EDAB OC[C@@H]1CCCN1c1cc(NCc2ccc3c(c2)CCO3)ncn1 72276244 KHULRQQOFHPFMG-HNNXBMFYSA-N 326.400 1.985 0 40 EDAB C[C@@H](c1cccc(F)c1)N1CCN(c2ccc3nnnn3n2)CC1 92191463 PBGZUSDLAVTZEY-LBPRGKRZSA-N 327.367 1.542 0 40 EDAB Cc1c(C(=O)NCCNc2ncnc3c2cnn3C)cnn1C(C)C 97032837 ISPCKFBFONTRLP-UHFFFAOYSA-N 342.407 1.291 0 40 EDAB O=CNc1ccc(C(=O)NCC[S@@](=O)c2ccccc2F)cc1 73766388 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C[C@@H](CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)Cc1cccs1 96437721 RVMCPUDZCSTCLY-NEPJUHHUSA-N 330.475 1.661 0 40 EDAB Cc1cccc(CN2CC[C@]3(C[C@H](Oc4ncccn4)CO3)C2)n1 96072552 MPAIKZFJXHNNOV-WMZOPIPTSA-N 326.400 1.992 0 40 EDAB COCCC(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1 96104171 QWNAYVJUVZRNEC-UHFFFAOYSA-N 341.429 1.496 0 40 EDAB Cc1cccc(CN2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)n1 96041264 KXFABPDNEAYGAL-USXIJHARSA-N 331.416 1.533 0 40 EDAB O=C1COC2(CCN(Cc3ccco3)CC2)CN1c1cncnc1 96159137 ICTSICRROSBVLV-UHFFFAOYSA-N 328.372 1.468 0 40 EDAB Cc1nc(CN2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)cs1 96108695 UXWRVDVDPSDMKX-CJNGLKHVSA-N 339.461 1.005 0 40 EDAB COc1ccc(C(=O)NCCNC(=O)c2ccccc2N)cc1OC 95115826 FWHOUJXQUDIFLO-UHFFFAOYSA-N 343.383 1.446 0 40 EDAB Cc1cc(C)n(-c2ccccc2CNC(=O)C2=NN(C)C(=O)CC2)n1 96473367 DEMHSYCHVCIFPI-UHFFFAOYSA-N 339.399 1.714 0 40 EDAB COC(=O)[C@]1(NCC(OC)OC)CCCN(Cc2ccccc2)C1 584908813 JPYXMOMRRMISTL-SFHVURJKSA-N 336.432 1.403 0 40 EDAB O=S(=O)(c1ccsc1)N1CCC(OC[C@H]2CCOC2)CC1 585081669 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Cc1cccc2c(=O)n(CCC(=O)N3C[C@@H](C)OC[C@@H]3C)cnc12 40499038 QSMNMOVBGUCYIR-UONOGXRCSA-N 329.400 1.731 0 40 EDAB O=C(CNC(=O)c1ccc(Br)cc1)N[C@@H]1CCC[C@@H]1O 97096103 OIXMPKOPOZQMFK-NEPJUHHUSA-N 341.205 1.209 0 40 EDAB CC(C)N1CCC(N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)CC1 1615155774 QEFQWRMJCRSYST-ROUUACIJSA-N 325.497 1.017 0 40 EDAB CC[C@@H]1CN(C(=O)CC(C)C)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772594940 IRNNIJXODMFNQD-BRWVUGGUSA-N 325.497 1.125 0 40 EDAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)CCn1cncn1 12366134 IWFVVNDFPOAOMJ-OAHLLOKOSA-N 329.404 1.020 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCC(C)C 16291301 WWEZQBAHAUZPTQ-UHFFFAOYSA-N 328.434 1.396 0 40 EDAB Cc1nc(C(=O)NCC2(c3ccccc3F)CCOCC2)cc(=O)[nH]1 19240926 LXVMKIOWHVWDAS-UHFFFAOYSA-N 345.374 1.696 0 40 EDAB Cn1nc(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)ccc1=O 19288491 RLUMLCALLNQXLN-UHFFFAOYSA-N 337.383 1.676 0 40 EDAB Cc1cc(C)n(CCCN(C)S(=O)(=O)N2CCC[C@H](C)C2)n1 19654478 QYDQSKGOGJREDE-ZDUSSCGKSA-N 328.482 1.799 0 40 EDAB COc1cccc(-c2noc([C@H](N)CCS(C)(=O)=O)n2)c1OC 169676233 JAKNQQMPWBLZMT-SNVBAGLBSA-N 341.389 1.188 0 40 EDAB NC(=O)c1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)nc1 239611765 FDXOHJHFBLLIIL-CYBMUJFWSA-N 341.367 1.991 0 40 EDAB Cc1cccc(C(=O)N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)n1 2037984930 SBZLBKIMERJEML-SFHVURJKSA-N 331.416 1.490 0 40 EDAB CC(C)N1C[C@H]2CN(C(=O)Cc3ccccc3F)CC[C@@H]2OCC1=O 2037985351 GZLBPHIBPNBYAY-WBVHZDCISA-N 348.418 1.853 0 40 EDAB COc1ccc(C(=O)N2C[C@@H]3OCCN(CC4CCCC4)[C@H]3C2)cn1 2056223408 KARJMNUEVYPLMD-IRXDYDNUSA-N 345.443 1.806 0 40 EDAB CC(C)NC(=O)[C@@H]1CCC2(CCN(C(=O)c3ncn(C)n3)CC2)C1 1614937245 RJFIGIKLZFJFOJ-CYBMUJFWSA-N 333.436 1.362 0 40 EDAB CO[C@@H]1CCN(C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)C1 1565523595 RNQZOTMVPWCTAE-QGZVFWFLSA-N 345.443 1.128 0 40 EDAB CCc1ncnc(N(C)C2CN(c3ccc4nnc(C)n4n3)C2)c1F 1565520731 KCUGKQWPUGOYII-UHFFFAOYSA-N 342.382 1.249 0 40 EDAB COc1cccc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)c1 10250771 LSTAOIKSYXEWMN-UHFFFAOYSA-N 341.371 1.741 0 40 EDAB Cn1cccc1C(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772458 LBEIFBHXSGPYIY-UHFFFAOYSA-N 341.415 1.085 0 40 EDAB COc1ccccc1CN1CCC(C(=O)N(C)C)(n2cccn2)CC1 2055771873 GCKQHWCYHKBCEO-UHFFFAOYSA-N 342.443 1.971 0 40 EDAB CCn1ccc(C(=O)/N=c2\sc3cc4c(cc3n2C)OCO4)n1 101344598 PAKUSQAECRIFON-NXVVXOECSA-N 330.369 1.926 0 40 EDAB Cc1ccc(O[C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)nn1 225422822 AYHOLYZACMVGIV-ZDUSSCGKSA-N 327.340 1.807 0 40 EDAB COc1nc(CNS(=O)(=O)c2ccccc2Cl)nc(OC)n1 575608981 ZYBWYQANIZWUBX-UHFFFAOYSA-N 344.780 1.021 0 40 EDAB O=C(NCc1cn(-c2ccncc2)nn1)Nc1ccc2c(c1)OCO2 585400880 HBMTXMOZSBQIQX-UHFFFAOYSA-N 338.327 1.713 0 40 EDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(OC)c1 6754146 WHACGTLMWAYABC-HNNXBMFYSA-N 344.371 1.765 0 40 EDAB Cc1cc(O)ccc1NC(=O)CCc1c(C)[nH]c2ncnn2c1=O 101511495 PNQKTKHSKZGRJO-UHFFFAOYSA-N 327.344 1.311 0 40 EDAB CCCS(=O)(=O)N1CCC(NCc2cccc3c2OCO3)CC1 40119944 AUGIBLDVJKFXIF-UHFFFAOYSA-N 340.445 1.709 0 40 EDAB C[C@@H](CNC(=O)Cn1cnc(C#N)n1)c1nc2ccccc2s1 50247550 GYUZQDOHFOSGHA-JTQLQIEISA-N 326.385 1.679 0 40 EDAB Cn1c(=O)c2c(ncn2CC(=O)c2ccc3ccccc3c2)n(C)c1=O 40456879 OVSHKPJCVPIQSN-UHFFFAOYSA-N 348.362 1.470 0 40 EDAB COc1ccc(OC)c(NC(=O)NC[C@@H](O)CN2CCCCC2)c1 40526033 QQYDQWAHZVKNEN-CYBMUJFWSA-N 337.420 1.672 0 40 EDAB CCN1CCC(NC(=O)COc2cccc(S(C)(=O)=O)c2)CC1 40538788 OYIMSFVYWQXMDY-UHFFFAOYSA-N 340.445 1.069 0 40 EDAB CC(C)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 215981 QZZRBLZEAOQIHJ-UHFFFAOYSA-N 344.408 1.232 0 40 EDAB COC(=O)CNC(=O)CCCCCn1cnc2ccccc2c1=O 32097289 PDHNWWUKKANNME-UHFFFAOYSA-N 331.372 1.246 0 40 EDAB Cc1nn(C)cc1C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 101343621 DYIUTIGOPBOTGM-TZMCWYRMSA-N 344.758 1.674 0 40 EDAB CS(=O)(=O)N1CCc2cc(C(=O)NCCc3cccnc3)ccc21 32348902 DULVJNAZZQPGSZ-UHFFFAOYSA-N 345.424 1.376 0 40 EDAB Cc1cc(Cl)ccc1S(=O)(=O)NCCCN1CCCC1=O 32411139 MZOCERLDUKGVLV-UHFFFAOYSA-N 330.837 1.939 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1ccccc1 102434250 YAUJOEZIYZSDQI-PYTWLRIVSA-N 341.363 1.444 0 40 EDAB CCOc1ccc(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 103110908 RUBVKUPZVUHCBV-DDHJSBNISA-N 326.352 1.537 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1 41838408 RYBCKSUZRSZCRH-JTQLQIEISA-N 331.294 1.360 0 40 EDAB COc1ccc(C(=O)NCCNC(=O)c2scnc2Cl)cc1 54097496 KMFISIMQVIYPBP-UHFFFAOYSA-N 339.804 1.965 0 40 EDAB Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)s1 23625926 QDNIXNGVASGYSL-UHFFFAOYSA-N 341.418 1.211 0 40 EDAB COC(=O)c1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1 33070 VSYJWVYICLCLAP-UHFFFAOYSA-N 347.352 1.170 0 40 EDAB CCN(CC)C(=O)CCCNC(=O)c1ccnc(-n2ccnc2)c1 58403488 FERXCAHWFOFZSQ-UHFFFAOYSA-N 329.404 1.646 0 40 EDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)[C@H]1CCCO1 7293741 UNKDTCRBIZGSMQ-BXUZGUMPSA-N 332.356 1.473 0 40 EDAB Brc1ccc(N2CCN(CCn3cncn3)CC2)nc1 69625570 DAFOIEXYKOCWRG-UHFFFAOYSA-N 337.225 1.258 0 40 EDAB CC[C@@H]1CCCCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 36316784 ULQVORMONCSMKR-CYBMUJFWSA-N 325.434 1.537 0 40 EDAB CC(C)N1CCN(c2ccc(C(=O)NCc3cnn(C)c3)cc2)CC1 69379191 NPIDMGOOOUDEPW-UHFFFAOYSA-N 341.459 1.881 0 40 EDAB C[C@H](C(=O)NC[C@H](c1ccccc1)N1CCOCC1)n1cncn1 40498653 PMCXJJNTHNQQJM-GDBMZVCRSA-N 329.404 1.029 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)c(C)c1 51135579 KLYYANGUZHMHJY-NWDGAFQWSA-N 327.402 1.580 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCC(C)C)cc1 7070708 GIDOOVUULGJROD-CYBMUJFWSA-N 342.461 1.914 0 40 EDAB O=C(NC1CCN(C(=O)C2CC2)CC1)N1CCc2ccc(O)cc2C1 45567647 SCICVDKNQSYTIX-UHFFFAOYSA-N 343.427 1.861 0 40 EDAB O=C(Cc1ccon1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 108364177 DGJVTZVJHQEBMC-RDJZCZTQSA-N 329.400 1.216 0 40 EDAB Cn1cc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)cn1 108532915 CEQCDZXFRURICY-GDBMZVCRSA-N 338.402 1.890 0 40 EDAB O=C(Nc1cc(-n2cnnn2)ccc1F)N1CCC2(CC1)OCCO2 69776575 IVLDNHWPPBCWAY-UHFFFAOYSA-N 348.338 1.172 0 40 EDAB C[C@H](O)CN1CCN(CCC(=O)NCc2ccccc2Cl)CC1 69776413 GMLVJZLCSPEPMY-AWEZNQCLSA-N 339.867 1.345 0 40 EDAB O=c1c(NCc2ccc3c(c2)OCO3)c(NCc2ccccn2)c1=O 101694356 OLDHDGLOTSRBDB-UHFFFAOYSA-N 337.335 1.631 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 69739960 TXSTXQRYQLXGPY-CYBMUJFWSA-N 344.814 1.634 0 40 EDAB O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)c1cn(Cc2ccccc2)nn1 101701061 PJAHUQBIPBAVJE-DARAHFNDSA-N 340.383 1.556 0 40 EDAB CCc1ccc(-n2nc(CO)c(C(=O)NCc3ccncc3)n2)cc1 21173084 CMFHRRIHOFGPCX-UHFFFAOYSA-N 337.383 1.647 0 40 EDAB Cc1cc(Br)ccc1C(=O)N1CCN(CCO)CC1 36830605 WLCPRXHHROAJSB-UHFFFAOYSA-N 327.222 1.508 0 40 EDAB CCc1cccc(CC)c1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 423285 SQEVJENRHIPTMA-UHFFFAOYSA-N 337.401 1.297 0 40 EDAB C[C@@H](CNC(=O)NCc1ccnn1C)N1CCc2ccccc2C1 29731999 GZGORUQNZWGAKP-AWEZNQCLSA-N 327.432 1.666 0 40 EDAB CCCOc1ccc(C(=O)NCCN2C(=O)CNC2=O)cc1OCC 69769472 VNDPKJWVYSKNOA-UHFFFAOYSA-N 349.387 1.156 0 40 EDAB Cc1cc(NC(=O)COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)no1 2661305 TYSXKVWCWAZQNO-AWEZNQCLSA-N 349.343 1.512 0 40 EDAB CCOC(=O)N1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 53664951 MQDUWCHTLREBPJ-UHFFFAOYSA-N 334.372 1.649 0 40 EDAB COCCn1cnnc1SCC(=O)N1CCc2sccc2C1 22427572 QMSNYNJXFUKLIF-UHFFFAOYSA-N 338.458 1.663 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CN[C@@H]2CCc3nc(C)nn3C2)c1 69892820 BZONMUUTUCFCLI-GFCCVEGCSA-N 342.382 1.114 0 40 EDAB Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)N(C)CCN1CCCC1 69875465 CYZQWHXWAOBWQW-UHFFFAOYSA-N 342.509 1.971 0 40 EDAB CN1CC[C@@H](CNC(=O)c2cccc(I)c2)C1 42418522 ODAPZPVFOWHOJO-JTQLQIEISA-N 344.196 1.973 0 40 EDAB CC(=O)N1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 23386742 RLJPVGDJTANUSQ-LBPRGKRZSA-N 347.242 1.897 0 40 EDAB O=C(NC1CCCCC1)c1ccc2c(c1)nc1n2CCN(CCO)C1 23411587 IAOJLEQCNAXOTL-UHFFFAOYSA-N 342.443 1.907 0 40 EDAB Cc1noc(C2CCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)CC2)n1 54703857 ROLWTHNCCUJYQX-AWEZNQCLSA-N 332.404 1.343 0 40 EDAB Cc1ccccc1CCNS(=O)(=O)CCn1nnc2ccccc21 24704641 WBVCYZOIKZZZMZ-UHFFFAOYSA-N 344.440 1.902 0 40 EDAB COc1ccccc1-c1noc(CN2CCC(CC(N)=O)CC2)n1 61332655 VTIVIYOPRGDTLV-UHFFFAOYSA-N 330.388 1.833 0 40 EDAB CCC[C@@]1(C)NC(=O)N(CC(=O)NCCc2ccc(OC)cc2)C1=O 47203023 WGPBKOBSADUJPM-GOSISDBHSA-N 347.415 1.465 0 40 EDAB NC(=O)C1(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)CCCCC1 106799678 UZOLGSZFTJSJBF-HRCADAONSA-N 333.476 1.755 0 40 EDAB CC(C)n1cnnc1SCC(=O)NC[C@H](c1ccco1)N(C)C 47470119 HSZJETDLQNAFDY-GFCCVEGCSA-N 337.449 1.963 0 40 EDAB O=C(NCc1cccc2cccnc12)NC[C@H]1CN2CCC[C@H]2CO1 107496795 CECAUGFBYKFJHC-IRXDYDNUSA-N 340.427 1.897 0 40 EDAB CC[C@H](C)NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 1784846 OYXNCXGZHLFDIP-ZJUUUORDSA-N 334.445 1.893 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1C(=O)O 3243756 YJSPJLDQEQNAIU-UWVGGRQHSA-N 329.374 1.191 0 40 EDAB CCN1C[C@@H](C(=O)NCc2cccnc2N2CCCCC2)CC1=O 58202256 DTEMJDKFPQHGBY-HNNXBMFYSA-N 330.432 1.557 0 40 EDAB Cc1cc2ncn(C[C@@H](O)CN3C(=O)NC(C)(C)C3=O)c2cc1C 44974513 BWRVSGLFPUEARA-GFCCVEGCSA-N 330.388 1.344 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 48199320 BBUBFVCRGQKCOQ-MRVPVSSYSA-N 332.282 1.362 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(C(=O)C(C)C)CC1 12889533 YKKSACUIRZXCPN-CQSZACIVSA-N 335.452 1.164 0 40 EDAB CCOc1ccc(OC[C@H](O)Cn2nc(-c3ccco3)oc2=O)cc1 12805356 DJCUAMDOWVLLLA-GFCCVEGCSA-N 346.339 1.935 0 40 EDAB O=C(COn1nnc2ccc(Cl)cc21)NCCc1ccccc1 3524394 ZLPVJMSXKJABTF-UHFFFAOYSA-N 330.775 1.872 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccs1 7988429 DOXHTBIHMGYBCD-HNNXBMFYSA-N 344.436 1.948 0 40 EDAB Cc1nnc(SCc2nnnn2-c2ccc(Cl)cc2)[nH]c1=O 13624568 BIDDLOBCKDEQEK-UHFFFAOYSA-N 335.780 1.395 0 40 EDAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 5274321 GTPIGVPHGRUXQQ-CYBMUJFWSA-N 340.383 1.569 0 40 EDAB CCN1C[C@H](CN(C)C(=O)[C@@H](C)S(C)(=O)=O)Oc2ccccc21 65410352 QTHLSQWHOHXORZ-OLZOCXBDSA-N 340.445 1.165 0 40 EDAB Cn1cnnc1SCC(=O)NC(=O)NCCc1cccs1 14017050 GDCBFMZLDULQSL-UHFFFAOYSA-N 325.419 1.037 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N1CC[C@@H](Nc2ccccc2)C1 65551666 GEICLKKAEVMRLI-OAHLLOKOSA-N 349.394 1.505 0 40 EDAB C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCNC(=O)C1 65564868 GHRWWPVLKZLXRF-ZDUSSCGKSA-N 339.395 1.803 0 40 EDAB CN(C(=O)c1ccc(N2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 14200180 OGZFDJQOBYDYAC-CQSZACIVSA-N 336.413 1.073 0 40 EDAB Cc1cnn(C[C@@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)c1 69455584 OIWGYCZBIFKXCD-HOTGVXAUSA-N 332.379 1.258 0 40 EDAB Cn1ccnc1CN1CCN(CC[S@@](=O)c2ccccc2)CC1 69487237 HAMJUIZTKGJTFO-QHCPKHFHSA-N 332.473 1.346 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCCN2CCN(C)CC2)c(C)c1 22912870 MMMREMHVZQNZDZ-UHFFFAOYSA-N 325.478 1.138 0 40 EDAB O=C(c1ccc[nH]c1=O)N1CCN(Cc2cccc3cccnc23)CC1 14900670 CKGURHKOCSGGDQ-UHFFFAOYSA-N 348.406 1.881 0 40 EDAB O=C(CCNC(=O)c1ccco1)NC[C@@]1(O)CCCc2ccccc21 66931588 HVUHLOWEENCKMV-IBGZPJMESA-N 342.395 1.740 0 40 EDAB CN(CC(=O)N1CCCC1)S(=O)(=O)Cc1ccccc1Cl 69515687 BKXWIMFQLOITSY-UHFFFAOYSA-N 330.837 1.724 0 40 EDAB Cc1ccc(CCC(=O)NCC(=O)N(C)CC(=O)N2CCCC2)cc1 69558472 IEMCKRYMHQCMAW-UHFFFAOYSA-N 345.443 1.125 0 40 EDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1sccc1-n1cnnn1 69528650 DVYFTSHDPSBXIC-STQMWFEESA-N 346.460 1.813 0 40 EDAB CN(C)C(=O)Cn1cc(C(=O)N2CCCc3cccc(F)c32)nn1 69588669 LPWIGJHOMCWRHS-UHFFFAOYSA-N 331.351 1.098 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(CC3CC3)C1)C2 69951275 DSTLMKFTHHWPHX-CYBMUJFWSA-N 331.420 1.002 0 40 EDAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC3CC3)C2)C1 69919616 VCGPEDWFBVQLJA-JKSUJKDBSA-N 344.459 1.868 0 40 EDAB CN(C)c1ccc(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 96414050 WFJFQBRHIZDGQF-NSHDSACASA-N 329.322 1.646 0 40 EDAB Cc1nnc(NC(=O)CN2CCC[C@@H]2c2c(C)nn(C)c2C)s1 75132364 RSLWWFFBIJEYDT-GFCCVEGCSA-N 334.449 1.972 0 40 EDAB O=C(CNC(=O)c1cnccn1)N[C@H]1CCCc2c1[nH]c1ccccc21 96230887 WBTXDQLWUIQSIB-HNNXBMFYSA-N 349.394 1.882 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)n2C)CC1 71871451 WAZRHVHHWRYLCW-CQSZACIVSA-N 345.418 1.970 0 40 EDAB C[C@@H]1CC(=O)NCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 71889444 CGLUFMWSHJSTBN-SECBINFHSA-N 336.335 1.695 0 40 EDAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCCN(CC(N)=O)CC1 71829358 KLYFKMGFQKBPPF-UHFFFAOYSA-N 344.390 1.316 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)C(N)=O 89775765 BSCHTQRDHAOZES-CYBMUJFWSA-N 328.372 1.854 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)CCN(C)C)ccc21 71924122 GQRJXHCWPKLZMN-LBPRGKRZSA-N 339.461 1.214 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)c3cc(Cl)c4c(c3)OCO4)C2)cn1 71910469 IYXKSOMCXRXWTG-LLVKDONJSA-N 348.790 1.811 0 40 EDAB COC(=O)CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 409421779 MANPNKCLILOSLQ-FOSCPWQOSA-N 347.433 1.505 0 40 EDAB C/C=C/c1cc(C(=O)N2CCN(CCO)CC2)cc(OC)c1OC 75572189 YZIIXYAXWUICQS-SNAWJCMRSA-N 334.416 1.487 0 40 EDAB CN(Cc1cccs1)C(=O)CNC[C@H]1CCCN1c1cccnn1 72267406 YCSQKKOPIOEVEZ-CQSZACIVSA-N 345.472 1.755 0 40 EDAB COc1cc(CNC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)ccn1 76085263 ALVUPXXKKFWZKL-LLVKDONJSA-N 331.420 1.871 0 40 EDAB O=C(CCC(F)(F)F)NC[C@H](O)CN1CCc2ccccc2C1 95431025 RZGRAPIKFWEUHS-AWEZNQCLSA-N 330.350 1.864 0 40 EDAB C[C@H]1CCO[C@@H]1C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 95446085 NBLMWWYOVLGESD-GUYCJALGSA-N 328.416 1.632 0 40 EDAB Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 78182649 SSKRLCZQUGVDAG-KGLIPLIRSA-N 329.400 1.641 0 40 EDAB CCOC(=O)[C@@H](C)CNS(=O)(=O)c1cc(OC)ccc1OC 84791161 SSEKCDFOIQPBHK-JTQLQIEISA-N 331.390 1.181 0 40 EDAB CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1N 73229288 WPOBJRHENULQPV-UHFFFAOYSA-N 328.372 1.146 0 40 EDAB CC(C)c1cccc(-n2cc(O)c(C(=O)NCCC(=O)N(C)C)n2)c1 78875871 YNYMKIGIRFVYPT-UHFFFAOYSA-N 344.415 1.909 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)c2cccn2C2CC2)s1 95994680 KEFNNHIJGBJCLI-UHFFFAOYSA-N 339.442 1.723 0 40 EDAB O=c1[nH]nc(CN2CCN(Cc3cccc(Cl)c3Cl)CC2)[nH]1 95983939 UVBFJTDBLXOVMY-UHFFFAOYSA-N 342.230 1.723 0 40 EDAB CCOC(=O)C1=C(C)[C@](C(C)=O)(C(N)=O)NC(C)=C1c1ccccc1 20458783 SQVXHXYVBRSXLJ-IBGZPJMESA-N 342.395 1.714 0 40 EDAB CCCN1CCN(C(=O)CCn2cc(Br)cn2)CC1 27968816 MXUZTXAYMWGGAU-UHFFFAOYSA-N 329.242 1.590 0 40 EDAB CCCNC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O 22251722 POGKSXORYJFEJE-UHFFFAOYSA-N 344.433 1.630 0 40 EDAB CS(=O)(=O)NCC[C@H]1CCOC12CN(C(=O)C1=CCCCC1)C2 306124768 BYVPJOSTIMXRNB-AWEZNQCLSA-N 342.461 1.044 0 40 EDAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@H]1C2 306130742 JOHILYODECFVKI-NEPJUHHUSA-N 327.388 1.068 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)o1 40513989 GAGDBJNFZFENGC-MRVPVSSYSA-N 340.323 1.602 0 40 EDAB CN1C(=O)C[C@@H](CNC(=O)CCc2ccccc2)[C@@H]1c1nccn1C 551933933 QGGMHPBVFXHHFK-MAUKXSAKSA-N 340.427 1.689 0 40 EDAB CC(=O)N1C[C@@H](NC(=O)c2coc(=O)c3ccccc23)CC[C@@H]1C 1018309671 ZZKBVAFSIHYABM-AAEUAGOBSA-N 328.368 1.922 0 40 EDAB COc1c[nH]c(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1=O 524734886 TYBGVRSXODNZIJ-UHFFFAOYSA-N 345.746 1.870 0 40 EDAB Cc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)n(C)n1 72241644 KZKYYAJGZSJKER-HOTGVXAUSA-N 346.362 1.405 0 40 EDAB CS(=O)(=O)c1ccc(SCCC(=O)O)c(S(C)(=O)=O)c1 559365026 QQBXDRGQXCURNY-UHFFFAOYSA-N 338.428 1.060 0 40 EDAB CN1c2ncccc2C(=O)NC12CCN(C(=O)OC(C)(C)C)CC2 72347491 FDOSYHTZBOKXTG-UHFFFAOYSA-N 332.404 1.988 0 40 EDAB COc1ccc(NC(=O)[C@]2(C)CCCN(C)S2(=O)=O)c(OC)c1 225952942 BYWNRDUEVPHMKR-HNNXBMFYSA-N 342.417 1.456 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)N1 44894570 GCUJJXZLIPTODR-UHFFFAOYSA-N 347.440 1.831 0 40 EDAB O=C(CCn1cccn1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 519568117 SIZAZHFDXSAANK-CYBMUJFWSA-N 325.376 1.029 0 40 EDAB COc1ccc(C(=O)N2CC[C@H](Oc3ccc(N(C)C)nn3)C2)cn1 225448364 PBQDDGDXXKFYCO-ZDUSSCGKSA-N 343.387 1.240 0 40 EDAB CC1(C)CN(C(=O)CS(=O)(=O)C2CC2)C[C@](C)(C(F)(F)F)O1 574370950 BCVPDHGZJOPBGE-GFCCVEGCSA-N 343.367 1.522 0 40 EDAB COCCNC(=O)COc1nn(C)c2ccc(Br)cc12 226754543 JCDHFILAIYYNAV-UHFFFAOYSA-N 342.193 1.477 0 40 EDAB CN1CC[C@]2(CN(C(=O)c3ccno3)C[C@H]2c2ccccc2)C1=O 96201849 PGGHSXCKCYEIBL-KBXCAEBGSA-N 325.368 1.763 0 40 EDAB O=C1N(Cc2ccccn2)CC[C@]12CCN(c1ncc(F)cn1)C2 96063216 OFHGHKSRWFULTF-QGZVFWFLSA-N 327.363 1.640 0 40 EDAB CC(C)[C@H](C(=O)NCCc1ccco1)n1nnc2ccccc2c1=O 95476025 QJLNHCACWMOUFY-MRXNPFEDSA-N 340.383 1.941 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(c1ccccn1)CC2 96199846 LYUMNEYUHDPVQP-OAHLLOKOSA-N 325.416 1.800 0 40 EDAB CCN1C[C@]2(CCCCN2C(=O)c2cnn3cccnc23)CC1=O 96071693 UVYALXCDMHLYIQ-KRWDZBQOSA-N 327.388 1.346 0 40 EDAB COC(=O)[C@@H](O)C1CCN(Cc2cn(C)nc2-c2ccccc2)CC1 97230939 XMGXLTGDRWWAMB-SFHVURJKSA-N 343.427 1.833 0 40 EDAB O=C1NC[C@H](COc2cccnc2)[C@]12CCN(CC1CCOCC1)C2 96217348 CYXOGXUCAHFXQS-VQIMIIECSA-N 345.443 1.325 0 40 EDAB Cn1cc(CCCNS(=O)(=O)c2ccsc2C(=O)O)cn1 578745473 WUTORXVBZKAERD-UHFFFAOYSA-N 329.403 1.091 0 40 EDAB CN(C)C(=O)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 96239735 SHAHOPIFRJLSRK-CQSZACIVSA-N 325.363 1.696 0 40 EDAB Cn1cc(CN2CC[C@@H](NS(C)(=O)=O)[C@@H]2Cc2ccccc2)cn1 96200819 YKSUEDJBMPIYMS-SJORKVTESA-N 348.472 1.155 0 40 EDAB O=C(Cc1ccsc1)N1C[C@@H]2OCCN(C[C@H]3CCCO3)[C@@H]2C1 96246490 YDKKLJSMLKIHMZ-OAGGEKHMSA-N 336.457 1.381 0 40 EDAB COCCCNC(=O)C1CCN(CC2(O)CCC(C)CC2)CC1 96424053 HIVPGCKXSMHMOY-UHFFFAOYSA-N 326.481 1.792 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)c3cc[nH]n3)C2)CC1=O 96239410 HXWRSFQQDJCWQL-QGZVFWFLSA-N 343.387 1.279 0 40 EDAB c1cnc(NCc2nnn3c2CN(Cc2ccco2)CCC3)nc1 96084699 KRQGASOQZAWZCG-UHFFFAOYSA-N 325.376 1.679 0 40 EDAB C[C@@H](NC(=O)c1nccn1C)c1cc(F)ccc1N1CCN(C)CC1 96421355 QKSXGVWXIGVDLA-CYBMUJFWSA-N 345.422 1.802 0 40 EDAB c1cnc(N2CC3(C2)OCC[C@@H]3CCOCC2CCOCC2)nc1 247846030 MOTGTQJARIWBMB-INIZCTEOSA-N 333.432 1.905 0 40 EDAB O=C(C[C@H]1CN(C2CCOCC2)Cc2ccnn21)NCc1ccco1 247853567 JQAYHLCXYCFRQF-INIZCTEOSA-N 344.415 1.718 0 40 EDAB CC(C)N1CC2(CN(C(=O)c3ccccc3F)C[C@@H]3COCCN32)C1 604381821 QBLAPZJXBDMDBV-OAHLLOKOSA-N 347.434 1.445 0 40 EDAB biogenic,in-vitro C[C@@H](NC(=O)N[C@@H]1CCC(=O)NC12CCC2)c1nc(C(C)(C)C)no1 252480688 CCZWPMJZJKYWDC-GHMZBOCLSA-N 349.435 1.929 0 40 EDAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 253471470 CSBAHHJAPHMBBD-AWEZNQCLSA-N 342.351 1.246 0 40 EDAB Cc1cc(CC2CCN(C(=O)Cn3cccnc3=O)CC2)ccn1 257302454 SCZOBVBEIDYDFU-UHFFFAOYSA-N 326.400 1.428 0 40 EDAB Cn1nccc1CCC(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257338672 YYKUZYAGWIVHRD-HZPDHXFCSA-N 333.363 1.143 0 40 EDAB Cn1ccc2cc([C@H](O)CNC(=O)C(=O)NCc3ccco3)ccc21 252498132 QUNBGZVNKVZWBG-MRXNPFEDSA-N 341.367 1.237 0 40 EDAB O=C1C[C@H](c2nc(CC3CCCC3)no2)CN1CCN1CCOCC1 585085770 WEFPTBPVDDWZEZ-HNNXBMFYSA-N 348.447 1.450 0 40 EDAB COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc(F)c(F)c(F)c1F 585088488 FKFZCTPTOPAPNJ-CQSZACIVSA-N 334.269 1.350 0 40 EDAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCN(C(=O)CN)C2)n1 257328603 XGKFCMMOZDTLJV-LLVKDONJSA-N 332.433 1.568 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@H](CCc3ccncn3)C2)cs1 257289338 PYESZFBXVHYYSH-OAHLLOKOSA-N 332.429 1.644 0 40 EDAB COC(=O)[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)C[C@]12CCOC2 585122199 QKNYTAGJEYVABT-GMBSWORKSA-N 346.427 1.203 0 40 EDAB CCc1cc(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)no1 257223802 DYYBSEXILNMMAT-QGZVFWFLSA-N 330.388 1.345 0 40 EDAB C[C@@H](Oc1ccccc1F)C(=O)NCc1nnc2c(O)nccn12 253407555 WPCVUAYBWRSYQM-SECBINFHSA-N 331.307 1.053 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1 257254291 KCMOLSVXOZSUNB-INIZCTEOSA-N 343.431 1.616 0 40 EDAB COc1ccccc1OCC(=O)NC[C@H](O)c1ccc2c(c1)CCO2 85559168 MURJECCPZMZFJY-HNNXBMFYSA-N 343.379 1.859 0 40 EDAB CS[C@@H](C(=O)N1CCN(c2nccnn2)CC1)c1ccccc1 600185019 QDHTWQFPNYIDPS-CQSZACIVSA-N 329.429 1.625 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@@H](c1ccsc1)n1cccn1 575614310 QGRYMMREQDFBGQ-ZDUSSCGKSA-N 331.401 1.706 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3cscn3)[C@H]2C1 575406874 WQVIMMXCNZCUEI-YGEZULPYSA-N 335.429 1.002 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575405651 TWOSGAJXVYCYGF-RYUDHWBXSA-N 338.404 1.723 0 40 EDAB CN1CCN(S(=O)(=O)c2cc(C3CC3)nn2C)c2cnccc21 903610395 XQTBMSWRTGWMCX-UHFFFAOYSA-N 333.417 1.338 0 40 EDAB O=c1cc2c(nn1CC1CCN([C@H]3CCC[C@H]3O)CC1)CCCC2 585500375 IFZSXECMQLAEAX-ZWKOTPCHSA-N 331.460 1.748 0 40 EDAB Cc1ccc(CC(=O)N2C[C@H](C(=O)NC3CC3)[C@@H]3OCC[C@H]32)cc1 585109569 XGZWFGSVBRWKHP-JZXOWHBKSA-N 328.412 1.432 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)CC3CC3)C[C@@H]21)c1ccncc1 585094085 SFLQNKCLKVOSTD-BZUAXINKSA-N 329.400 1.085 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)CNC2=NS(=O)(=O)c3ccccc32)o1 44868588 VOMDZZQOIVWJOW-LLVKDONJSA-N 347.396 1.504 0 40 EDAB Cn1cc(/C=C/C(=O)N2CCC[C@H]2c2cccs2)c(=O)n(C)c1=O 44892959 LAGXKLASBPCBLO-GWJCSSMESA-N 345.424 1.522 0 40 EDAB CCN1C[C@H](C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)CC1=O 44913364 KSPZHHDFYMZZQX-ZIAGYGMSSA-N 341.415 1.304 0 40 EDAB Cn1cnnc1CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 58314361 IXROVCDSBWAOJN-AWEZNQCLSA-N 331.395 1.483 0 40 EDAB CN(C)C(=O)C[C@@H](NC[C@H]1CNc2ccnn2C1)c1ccccc1 58315947 FWAXMYURXZKOPT-GOEBONIOSA-N 327.432 1.734 0 40 EDAB O=C(NCCN1CCOCC1)NCC1(Sc2ccccc2)CC1 69044678 XYFKMNYFYMRFIH-UHFFFAOYSA-N 335.473 1.943 0 40 EDAB CCN(CC)CCCN(C)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 77614439 YFYVRTJMUPQBGY-AEFFLSMTSA-N 346.475 1.791 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCCN1C[C@H](O)CN1CCCC1=O 77657973 ZWGLEXJBTRHTOD-MJGOQNOKSA-N 345.487 1.566 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)Cc2csc(NCC(F)F)n2)C1 1616040457 KWYYOROYMXEVHU-SNVBAGLBSA-N 346.403 1.490 0 40 EDAB COc1ccc(C(=O)N2CC3(CC(=O)N(CC4CC4)O3)C2)c(F)c1 1549162625 SMYZDBHDMZZMHO-UHFFFAOYSA-N 334.347 1.603 0 40 EDAB C[C@@H]1[C@H]2OC(=O)[C@H]3C(=O)[C@](C)(O)O[C@@H]2[C@@H]2CCCC[C@@H]2[C@@]1(C)C3=O 1772591634 IYGKPDPKMWLVNZ-HKFMZEPHSA-N 336.384 1.236 0 40 EDAB C[C@@H](C(=O)NCCn1nnn(-c2cccs2)c1=O)c1ccccc1 12186773 SBLQYMAUHJALPN-GFCCVEGCSA-N 343.412 1.410 0 40 EDAB O=C(Nc1ccccc1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 16850874 JMOACJRSYHTDCY-ZDUSSCGKSA-N 345.424 1.984 0 40 EDAB CCn1c(=O)oc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc21 19936739 ASSJTKVTZACJHT-SNVBAGLBSA-N 326.374 1.072 0 40 EDAB COCCN1C(=O)S/C(=C/c2ccccc2OCC(=O)O)C1=O 8104541 VCXFTCYZPRAUFR-XYOKQWHBSA-N 337.353 1.833 0 40 EDAB Cc1noc(C)c1C(=O)NCc1nc(N(C)C)nc(N2CCCC2)n1 575605261 ILBYWNGTFMSKNY-UHFFFAOYSA-N 345.407 1.073 0 40 EDAB CCOC[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@H]1c1cnn(C)c1 585655691 GUPWHHQBMFUEGF-HOCLYGCPSA-N 330.388 1.413 0 40 EDAB Cc1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1 1888842796 DQJGRTNEMGTEDJ-UHFFFAOYSA-N 340.431 1.796 0 40 EDAB O=C([C@H]1CN(Cc2cc(F)ccc2F)CCO1)N1CCSCC1 1888906237 OXOYOYHRJWHKSD-OAHLLOKOSA-N 342.411 1.741 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)COc3ccccc3C)C2)n1 1775986107 VRZGQHLZPNOBNZ-UHFFFAOYSA-N 327.384 1.398 0 40 EDAB O=C1NCCN1C(=O)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 238831564 GAOCPBZWGRFWCE-STQMWFEESA-N 327.344 1.398 0 40 EDAB COC(CNC(=O)c1cnc(O[C@H]2CCOC2)c(Cl)c1)OC 245130826 UZLCGHIBFUEZTJ-JTQLQIEISA-N 330.768 1.251 0 40 EDAB CN(C1CCN(Cc2cc(C3CC3)on2)CC1)S(=O)(=O)C1CC1 2087142519 NDPCKSCKNTZUPE-UHFFFAOYSA-N 339.461 1.940 0 40 EDAB CC1CC(C(=O)N2CC[C@@H]3C[C@@H](C(=O)NCc4ccco4)O[C@H]3C2)C1 1565548706 HPPIAQMCVWZXIC-RNTLWRPRSA-N 346.427 1.948 0 40 EDAB COCCO[C@@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1Cc1ccccc1 1565555990 STTSWMADFNXHCC-FGTMMUONSA-N 333.428 1.898 0 40 EDAB Cn1cccc(C(=O)N2CCc3ncnc(-c4cccnc4)c3C2)c1=O 1565556422 SZVLREXLUMGSPZ-UHFFFAOYSA-N 347.378 1.436 0 40 EDAB Cc1ccc(N2C[C@H](NC(=O)NCCCN(C)C)CC2=O)cc1C 5187783 DVSMFIQWDIAPSH-OAHLLOKOSA-N 332.448 1.660 0 40 EDAB O=C(COc1ccccc1F)NCc1nnnn1-c1cccc(F)c1 10593561 XEQUOBXEULCEDJ-UHFFFAOYSA-N 345.309 1.636 0 40 EDAB CCN=c1cc(C)nc(N2CCN(Cc3nc(C(C)C)no3)CC2)[nH]1 2086884641 ATJQDSNYQGXYJP-UHFFFAOYSA-N 345.451 1.467 0 40 EDAB COc1ccccc1OCC(=O)N1CCC[C@@H](Oc2cccnn2)C1 225453092 WGCZRNFXJIQGPG-CQSZACIVSA-N 343.383 1.934 0 40 EDAB CSc1ncccc1C(=O)NCC1CCN(C(=O)N(C)C)CC1 618255291 APVOKGMJNFJCHJ-UHFFFAOYSA-N 336.461 1.927 0 40 EDAB Cc1ccc(S(=O)(=O)NCC2CCN(C(=O)N(C)C)CC2)s1 390831243 QPUVQCUBVWEHAM-UHFFFAOYSA-N 345.490 1.728 0 40 EDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C[C@@H](O)COc2ccccc2)C1 5999421 NBALYZNRIXPTQB-IXDOHACOSA-N 340.423 1.707 0 40 EDAB Cc1cccc(C(=O)N[C@@H]2C[C@@H](c3nc(C)nn3C)CC[C@H]2O)c1 2332241691 VXHVAJKIUMENQG-NUEKZKHPSA-N 328.416 1.859 0 40 EDAB O=C(CN1CCN(c2nnc(C3CC3)s2)CC1)N1CCCCCC1 84544068 XXEZGVQBVRVBSN-UHFFFAOYSA-N 349.504 1.940 0 40 EDAB Cn1cccc1C(=O)NC(=O)CSc1nnnn1-c1ccccc1 3513113 OGWKNUQAWUAMJC-UHFFFAOYSA-N 342.384 1.050 0 40 EDAB CC[C@@H]1CN(Cc2nnc(Cc3ccccc3)o2)CCN1C[C@H](C)O 106906925 CJBDTCTWPZQNEK-DOTOQJQBSA-N 344.459 1.937 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)NCCNC(=O)C2CC2)CC1=O 43945021 RXAFSCXGHYWXDF-OAHLLOKOSA-N 343.427 1.244 0 40 EDAB CCOc1cccc2c1OCC(C(=O)NCCNc1ncccn1)=C2 57061948 RRGWXIVGRSFCFS-UHFFFAOYSA-N 340.383 1.879 0 40 EDAB O=C(COC(=O)c1cccc(F)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 6589388 WQACDTDRRQPXFG-UHFFFAOYSA-N 329.287 1.791 0 40 EDAB O=C(NCc1ccco1)[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 6759689 DXIBGXRLIIIXPI-OAFZBRQQSA-N 342.395 1.620 0 40 EDAB O=C1c2ccccc2C(=O)N1CCCC(=O)N1[C@H]2CC[C@H]1COC2 101466987 ITNGBLUCSBUKND-STQMWFEESA-N 328.368 1.453 0 40 EDAB COc1cccc([C@@H](C(=O)O)N2CCN(c3cnccn3)CC2)c1 95377037 JJAWXJYPHPPOGM-INIZCTEOSA-N 328.372 1.433 0 40 EDAB NS(=O)(=O)CCCSc1nnc2sc3ccccc3n12 57743856 OSDSVZUWSTTWOK-UHFFFAOYSA-N 328.444 1.715 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)CCN1C(=O)c2ccccc2C1=O 58014135 QPNQAMQWYWDDCL-RYUDHWBXSA-N 345.399 1.092 0 40 EDAB NC(=O)c1ccc(CSc2nnc(N3CCOCC3)s2)cc1 58166138 RIHPKFFDJYCDRK-UHFFFAOYSA-N 336.442 1.766 0 40 EDAB CN1CCN([C@@H](CNC(=O)N2CCOCC2)c2cccs2)CC1 36089958 OEFJYCRMPAVJGG-AWEZNQCLSA-N 338.477 1.078 0 40 EDAB O=C(CN1CSCC1=O)NCCNc1ncccc1C(F)(F)F 58209866 OOCSPKKQYPFCMN-UHFFFAOYSA-N 348.350 1.161 0 40 EDAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCCCN(C)C)cc2)o1 44901702 IXYBHSVKMCNSCM-UHFFFAOYSA-N 331.376 1.051 0 40 EDAB O=C(CCn1c(=O)oc2ccccc21)N[C@H]1CCN2CCCC[C@H]12 44941778 FMSYMBOZPCRKAZ-UONOGXRCSA-N 329.400 1.728 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)OCC(=O)NC1CCCCC1 58392448 LOYMIHYMKXIGEE-UHFFFAOYSA-N 333.344 1.430 0 40 EDAB COc1cccc(CC(=O)NCCCNC(=O)c2cccc(O)c2)c1 58342311 REFJQYYVIULFIQ-UHFFFAOYSA-N 342.395 1.880 0 40 EDAB CN(C1CCN(C(=O)COCc2ccccc2)CC1)S(C)(=O)=O 58419650 KDYNZCVSDAPMEC-UHFFFAOYSA-N 340.445 1.086 0 40 EDAB CCCS(=O)(=O)N1CCC(NC(=O)Cc2ccccc2F)CC1 36393365 POWDCGPSIIASFV-UHFFFAOYSA-N 342.436 1.689 0 40 EDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccn(C)c(=O)c1 28440203 OJXQURUXBOTHDX-CYBMUJFWSA-N 337.383 1.799 0 40 EDAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Cn2cncn2)cc1 11218635 LUVSEYTZTAEDCY-UHFFFAOYSA-N 346.354 1.554 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cccc3ncccc23)C1 29197375 ZGTPPKANQWEESO-LBPRGKRZSA-N 333.413 1.389 0 40 EDAB CCn1c(CCC(N)=O)nnc1SCc1cccc(C(=O)OC)c1 12793108 UUJRRHHYAFFFTO-UHFFFAOYSA-N 348.428 1.795 0 40 EDAB Cc1nc(NC(=O)c2ccc(=O)n(C)n2)sc1-c1ccccn1 12517126 ZUFYGAGVTYZFGG-UHFFFAOYSA-N 327.369 1.860 0 40 EDAB Cc1cc(CS(=O)(=O)c2nnc(-c3ccccc3F)n2C)no1 95416364 CXRLMKHMTQBDDR-UHFFFAOYSA-N 336.348 1.892 0 40 EDAB Cc1cc(C)n(CCCNC(=O)Cc2c(C)nc3ncnn3c2C)n1 12942905 NIZMLBDJIOVALJ-UHFFFAOYSA-N 341.419 1.303 0 40 EDAB Cn1cnnc1SCC(=O)Nc1cc(Cl)ccc1-n1cncn1 6063315 NSLQEBOBSPRSPG-UHFFFAOYSA-N 349.807 1.780 0 40 EDAB O=C1CSc2ccc(C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)cc2N1 95457938 HMDRMUVLXQNDBM-PXAZEXFGSA-N 348.424 1.799 0 40 EDAB O=C(CCCc1nc(-c2ccccc2Cl)no1)Nc1nnn[nH]1 19816308 UHBFCCLGRXVGRT-UHFFFAOYSA-N 333.739 1.865 0 40 EDAB CS(=O)(=O)N1CCC(N[C@@H]2CCCN(C3CCCCC3)C2)CC1 95422244 OJBAMEBLFFDMSW-MRXNPFEDSA-N 343.537 1.797 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CCn1c(=O)oc2ccccc21 71798369 KXFWBPLBQPEVSJ-INIZCTEOSA-N 337.379 1.507 0 40 EDAB COC(=O)c1nnn(-c2cc(Cl)ccc2OC)c1C(=O)OC 4316621 LHYFHQJWPNILPS-UHFFFAOYSA-N 325.708 1.503 0 40 EDAB C[C@]1(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CCS(=O)(=O)C1 96422271 LRCJBSSMZSMHHN-ZETOZRRWSA-N 329.368 1.762 0 40 EDAB Cc1ccccc1[C@H](C)CC(=O)NCCN1CCS(=O)(=O)CC1 96407504 BUXGEIDLPBVLHL-OAHLLOKOSA-N 338.473 1.335 0 40 EDAB C[C@@H](OC(=O)c1nccnc1N)C(=O)N1CCc2ccccc2C1 14059685 HZVZBEKXLOBWNE-LLVKDONJSA-N 326.356 1.189 0 40 EDAB COCCN1CC[C@H](CNC(=O)C2(c3ccccc3)CCOCC2)C1 65517106 RXSODWWWTQHASH-QGZVFWFLSA-N 346.471 1.819 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cc(CC(C)C)n[nH]3)CC2)n1 65609701 RAIXGCIQWNKEKO-UHFFFAOYSA-N 344.419 1.369 0 40 EDAB CCOCCO[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 65613009 KDAVVLLDIUNHML-YOEHRIQHSA-N 348.443 1.434 0 40 EDAB Cc1ccnc2nc(C(=O)NCCc3ccc4c(c3)OCO4)nn12 14202407 FLOPYSBFYMVXDE-UHFFFAOYSA-N 325.328 1.134 0 40 EDAB CCOC(=O)c1ccc(OC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1 14200879 WJMRZTCOMKIUOB-LZWOXQAQSA-N 337.416 1.712 0 40 EDAB COCCN(C(=O)[C@H](C)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 71889115 QTECSODLYXATIK-OCCSQVGLSA-N 343.445 1.662 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)n1 71870161 LKOVJWKZQOXSMF-SJORKVTESA-N 344.459 1.749 0 40 EDAB CNC(=O)CN1CCN(C(=O)CSCCCc2ccccc2)CC1 71812636 FUQGPTVJPQORFN-UHFFFAOYSA-N 349.500 1.243 0 40 EDAB O=C1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CCN1 71839545 RGQHJZYZWHUBSC-UHFFFAOYSA-N 344.411 1.618 0 40 EDAB O[C@H](COCc1ccccc1)CN1CCN(c2nccs2)CC1 66349752 QTXMXGODXQGOHN-INIZCTEOSA-N 333.457 1.843 0 40 EDAB O=C(OCC(=O)N1CCCC1)c1cc(Br)ccc1O 4808175 GJGCHBHFVGAQOG-UHFFFAOYSA-N 328.162 1.934 0 40 EDAB CC(C)N1CCN(C(=O)c2n[nH]nc2Nc2ccccc2F)CC1 67284406 YPGSOWROVUEGHH-UHFFFAOYSA-N 332.383 1.854 0 40 EDAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC(C)C)C2=O)cc1 7126162 SNXXEKFXOCWNLA-GOSISDBHSA-N 331.416 1.931 0 40 EDAB CCNC(=O)N1CC[C@@H](N[C@H](C)CC(=O)Nc2ccc(F)cc2)C1 90411072 JDWSRBCOUYNEFR-IUODEOHRSA-N 336.411 1.936 0 40 EDAB O=C(NCc1ccccc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842440 CBMILNSKJJOKBA-UHFFFAOYSA-N 344.392 1.683 0 40 EDAB Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(=O)n(C)n2)cc1 98014148 LKXLZJVBYZLRQQ-QAPCUYQASA-N 341.411 1.986 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2ccccc2SCC(N)=O)cn1 68235738 KETVFRXJQCMPIO-RYUDHWBXSA-N 330.413 1.740 0 40 EDAB CCN(CC(=O)NC(=O)Nc1ccccc1F)CC(=O)NC(C)C 7789797 SFHDZUBMFNOYNY-UHFFFAOYSA-N 338.383 1.320 0 40 EDAB CN(C)c1ncccc1CNC(=O)N1CCC[C@H]1CN1CCCC1 68556832 VQUVAUOJGOFPOW-INIZCTEOSA-N 331.464 1.917 0 40 EDAB Cc1csc(=O)n1CCC(=O)OCN1C(=O)c2ccccc2C1=O 7983026 XYALKNQKLHJKGM-UHFFFAOYSA-N 346.364 1.405 0 40 EDAB Cn1c(CCC(N)=O)nn(CN2CCc3ccccc3C2)c1=S 8052714 BDMHUYLVZRKMGH-UHFFFAOYSA-N 331.445 1.385 0 40 EDAB Cc1ccc(OCCCNC(=O)CCSc2nnnn2C)cc1 69492515 GBMRHKMRGIMHQM-UHFFFAOYSA-N 335.433 1.586 0 40 EDAB CS(=O)(=O)c1ccc(OCCCN2CC(n3cccn3)C2)cc1 72267676 CIULHDLKVYOWCJ-UHFFFAOYSA-N 335.429 1.612 0 40 EDAB CCNC(=O)c1cccc(NC(=O)N2CCC[C@@H](C(=O)NCC)C2)c1 69512410 JAHVIQCEVGHAJW-CQSZACIVSA-N 346.431 1.816 0 40 EDAB CC(C)(C(=O)NCCS(=O)(=O)Nc1ccccn1)c1ccccc1 69698205 OVGVTZXMYVCQRI-UHFFFAOYSA-N 347.440 1.917 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)NCC2(c3ccccc3)CCC2)CC1 69656674 BPNQSRIYTGTXEA-QGZVFWFLSA-N 345.487 1.223 0 40 EDAB C[C@@H](NC(N)=O)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 69773316 VPIPTIGJIOZMHK-SNVBAGLBSA-N 332.335 1.686 0 40 EDAB O=S(=O)(Nc1noc(C2CC2)n1)c1cnn(Cc2ccccc2)c1 97048808 AMNJEUXPTJPCQL-UHFFFAOYSA-N 345.384 1.993 0 40 EDAB CC(C)CC(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C 408532927 NBQHKYOZUVDJCD-UHFFFAOYSA-N 346.431 1.698 0 40 EDAB CCOc1nnc(CN2CCN(C[C@@H](O)C(C)(C)C)CC2)s1 69894765 UDENVONCJQGSBC-GFCCVEGCSA-N 328.482 1.461 0 40 EDAB CC(=O)Nc1nc(CN2C[C@H](C(N)=O)Oc3ccccc32)cs1 8724362 NMRHSUDMRBBQLJ-CYBMUJFWSA-N 332.385 1.354 0 40 EDAB CC(C)c1ccc(-n2cnnc2SCC(=O)NC[C@@H](C)O)cc1 97178004 JRCQHYJOCOHVLK-GFCCVEGCSA-N 334.445 1.980 0 40 EDAB Cc1noc([C@@H]2COCCN2c2ncc(Br)cn2)n1 97108350 HFKOFALIBDEPPL-VIFPVBQESA-N 326.154 1.508 0 40 EDAB CNS(=O)(=O)CC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 83066142 IMTNNHZZLOFCAO-UHFFFAOYSA-N 344.396 1.513 0 40 EDAB Cc1nc([C@@H]2CCCCCN2S(=O)(=O)c2cnn(C)c2)no1 96000600 QCANMSWIHADLAP-LBPRGKRZSA-N 325.394 1.418 0 40 EDAB CC(=O)N1CCN(C(=O)CN[C@H](C)C(C)(C)c2ccccc2)CC1 95984741 HZCLGZVQYPCGNV-OAHLLOKOSA-N 331.460 1.633 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)n[nH]1 95966065 YZPUKDGPHDRCLX-CYBMUJFWSA-N 343.387 1.931 0 40 EDAB O=C1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)N1 95978430 UDIYVRBHDZDUDW-TVQRCGJNSA-N 325.771 1.453 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccc(C)[nH]c2=O)c1 75119715 FHMMDTIVZBPUBB-AWEZNQCLSA-N 332.356 1.164 0 40 EDAB CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)[C@H](C)OCC1CC1 89986911 UXJXLMCQYMCDKH-KGLIPLIRSA-N 329.437 1.866 0 40 EDAB C[C@@H]1C[C@@H](C)N(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 76019666 IJVHGECYYGHFHP-GHMZBOCLSA-N 331.459 1.728 0 40 EDAB CC(C)[C@H](C(=O)NCc1nc2ccc(F)cc2[nH]1)N1CCCC1=O 76092420 RKXBGDUTPJMRAA-MRXNPFEDSA-N 332.379 1.965 0 40 EDAB Cc1cccc(CN(C)C(=O)CNC(=O)c2ccc3c(c2)OCO3)n1 76020357 NWCVZXQBQPSANA-UHFFFAOYSA-N 341.367 1.507 0 40 EDAB Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)N2CCCC2)C3)nc1 306138224 RSRTYCRVXAGQIU-HNNXBMFYSA-N 345.447 1.894 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCN(CCn2cccn2)CC1 62021970 SCSSPYVBXBXGCX-UHFFFAOYSA-N 328.372 1.070 0 40 EDAB Cc1cccc(N2C[C@@H](C(=O)N[C@H](C)c3nc[nH]n3)CC2=O)c1C 176196481 IWEVZVFSQBWTPV-OLZOCXBDSA-N 327.388 1.652 0 40 EDAB C[C@@H](Cn1cccn1)Nc1ncnc2c1c(Br)nn2C 65624349 WSEXTKRAJPJCSC-QMMMGPOBSA-N 336.197 1.823 0 40 EDAB COc1ccnc(N2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)n1 548662092 MYXNELIEIUXVQJ-HNNXBMFYSA-N 333.417 1.492 0 40 EDAB CC(=O)Nc1ccc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)cc1 32102559 NDMIFLZFCRFSOE-MRXNPFEDSA-N 336.355 1.860 0 40 EDAB O=C(NCCOc1cc(N2CCOCC2)ncn1)c1cccc(F)c1 38520325 AQDGPZBKRSEVMO-UHFFFAOYSA-N 346.362 1.261 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(C)cc1 218460247 WLUYELGZVMMBFV-OFQRWUPVSA-N 325.430 1.404 0 40 EDAB C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCc1cscn1 189426883 YHSWDZFTZCIMNM-LBPRGKRZSA-N 326.466 1.172 0 40 EDAB CS(=O)(=O)N(Cc1noc(CCC(=O)O)n1)c1ccccc1 78400915 RSSUEIDHMYQHFO-UHFFFAOYSA-N 325.346 1.053 0 40 EDAB Cn1cncc1CCNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 544356838 BRRXNPIZYOWTPF-KRWDZBQOSA-N 346.406 1.291 0 40 EDAB C[C@H](CCc1ccccc1)NC(=O)C1CN(C(=O)c2cnccn2)C1 70841992 BBIPVXTWXRQLPU-CQSZACIVSA-N 338.411 1.686 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc(Br)s2)CCN1 72203293 JQAUUIGXRVAGTO-ZETCQYMHSA-N 325.253 1.493 0 40 EDAB Cc1cc(C(=O)NCc2ccccc2F)nc(N2CCOCC2)n1 71195486 JIAAGEHTFLMOPT-UHFFFAOYSA-N 330.363 1.691 0 40 EDAB Cc1cc(Cl)ccc1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 180279913 HCZFXVLAHHEZDF-NSHDSACASA-N 330.837 1.754 0 40 EDAB O=C(NC[C@@H](O)c1cccc2ccccc12)C(=O)Nc1ccon1 70636180 IQMBIPKMLIXDLR-CQSZACIVSA-N 325.324 1.616 0 40 EDAB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc[nH]n1 75328255 UZKOXYJAVTVTDE-UHFFFAOYSA-N 329.404 1.813 0 40 EDAB O=C(NCCOc1cc(N2CCOCC2)ncn1)c1ccc(F)cc1 38520360 UZJBCADHKVFTKW-UHFFFAOYSA-N 346.362 1.261 0 40 EDAB CCOC(=O)N1CCN([C@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 36634013 SDLXAHDJHMZWKA-AWEZNQCLSA-N 349.362 1.232 0 40 EDAB CCCNC(=O)c1ccc(N2CCC[C@@H](NC(=O)OCC)C2)nc1 79029453 QLZAXICLYZKPKN-CQSZACIVSA-N 334.420 1.936 0 40 EDAB CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCO)c1ccccc1 223333586 GYWHSQXJBHINOV-GOSISDBHSA-N 326.396 1.885 0 40 EDAB O=C([C@@H]1OCCc2ccccc21)N1CC[C@@H](Oc2cccnn2)C1 225417409 RWSTUEMXXCEIAU-RHSMWYFYSA-N 325.368 1.770 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)CN(C2CC2)[C@H](C)C(=O)OC)c1 69898431 NLEGPSNKAJZHKM-GFCCVEGCSA-N 348.399 1.746 0 40 EDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C(=O)Nc1ccn(C)n1 134244058 HQOFZHCGJIFZCI-CQSZACIVSA-N 341.415 1.616 0 40 EDAB Cn1cccc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 195529901 IKCLSRTZVDXJTH-SQWLQELKSA-N 327.428 1.958 0 40 EDAB Cc1cc(NC(=O)CN2CCO[C@@H](Cn3nc(C)cc3C)C2)on1 69368432 YJIKXCQLDYRZKQ-CQSZACIVSA-N 333.392 1.136 0 40 EDAB CC(=O)c1cccc(NC(=O)N(CCOCCO)CCN(C)C)c1 69347650 FGOUPMXRZHLOFA-UHFFFAOYSA-N 337.420 1.294 0 40 EDAB C[C@H](NC(=O)C1CCC1)C(=O)N1CCN(Cc2ccccc2F)CC1 69329511 QJBAPFRMBPXEKQ-AWEZNQCLSA-N 347.434 1.775 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)C(=O)NCc1ccc2c(c1)OCO2 44225304 MUFPREBGARWPDW-LLVKDONJSA-N 330.340 1.372 0 40 EDAB Cc1ccc(CN2CCN(c3ccccc3S(N)(=O)=O)CC2)o1 191171967 IXFQCMKWABVODL-UHFFFAOYSA-N 335.429 1.558 0 40 EDAB O=C(Nc1cccc(N2CCOCC2)c1)[C@@H]1CCCN1C(=O)C1CC1 69651953 UHANGQYPOFJTRE-KRWDZBQOSA-N 343.427 1.863 0 40 EDAB Cc1noc(C)c1CN1CC[C@@]2(COCc3cnc(N(C)C)nc32)C1 96243979 JRBYQEZAMLGGMA-SFHVURJKSA-N 343.431 1.821 0 40 EDAB Cc1cc(CC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)n[nH]1 95446873 WUOZWJFGAFYQIZ-CQSZACIVSA-N 330.363 1.712 0 40 EDAB C[S@](=O)c1cccc(NC(=O)N2CCN(Cc3ccon3)CC2)c1 96434854 FRZDYYXLWAEOCS-XMMPIXPASA-N 348.428 1.762 0 40 EDAB CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccccc3)C2)O1 96208308 FXWQYNFQSDMZSJ-IAGOWNOFSA-N 338.473 1.749 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 96158823 IEDGPHTZTLWUAZ-UHFFFAOYSA-N 342.399 1.577 0 40 EDAB CN1CCN([C@@H]2COC3(CCN(C(=O)c4ccco4)CC3)C2)CC1 96048853 PRGSDSZIFWUIRC-HNNXBMFYSA-N 333.432 1.291 0 40 EDAB C[C@H](CN1CCc2ccccc2C1)NC(=O)c1n[nH]c2c1COCC2 97729453 UJUQJTQCGOPZJL-CYBMUJFWSA-N 340.427 1.659 0 40 EDAB O=C(c1cnccn1)N1CCC[C@]2(CCN(Cc3cccnc3)C2)C1 96158192 YFPJRTSASJTDJG-LJQANCHMSA-N 337.427 2.000 0 40 EDAB Cc1ccc(C(=O)N2C[C@H](C(=O)NC(C)C)C3(CCOCC3)C2)o1 96240769 OHSTZWXBCZCCHS-CQSZACIVSA-N 334.416 1.981 0 40 EDAB Cc1nc(CN2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)cs1 96050524 YTHQIWGAROCYKS-MRXNPFEDSA-N 331.445 1.814 0 40 EDAB O=C(c1cccs1)N1CCc2ncc(Cn3cccn3)n2CC1 96196961 CVOYHQQNCCCOCP-UHFFFAOYSA-N 327.413 1.888 0 40 EDAB CS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C(=O)c3ccsc3)C2)C1 96218795 ZKCDITQFKNMYLJ-GXTWGEPZSA-N 344.458 1.061 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3C[C@H](c4ccnc(C)n4)O[C@@H]3C2)cn1 96046160 PAUQRICEIORDFR-IAOVAPTHSA-N 339.399 1.876 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CC1)Cc1ccccc1CNC2=O 96161289 IXFVKVKXMOWKQQ-INIZCTEOSA-N 328.412 1.504 0 40 EDAB CN(Cc1ccccc1)C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 96114448 XUQZVTQKYFQQGD-INIZCTEOSA-N 337.379 1.786 0 40 EDAB biogenic CCN1C[C@H]2CCN(C(=O)NC3CCCC3)CC[C@H]2S1(=O)=O 96145527 AMZAGGBMFGEPCG-TZMCWYRMSA-N 329.466 1.385 0 40 EDAB COc1cc(C)nc(N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)n1 583616826 LJHVPAUQWTVLSZ-INIZCTEOSA-N 332.408 1.454 0 40 EDAB COc1cc(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)cc(C)n1 583618369 QLTSXUXNUYOIAI-KRWDZBQOSA-N 345.403 1.305 0 40 EDAB CN(C)[C@H](C(=O)N1CCO[C@@H](c2nncn2C)C1)c1ccccc1 583621757 KFCHPRDEHCYYOE-CABCVRRESA-N 329.404 1.018 0 40 EDAB Cc1ccc(CN2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)N3CCCO3)C2)o1 96218389 JHWVGJPNAMMIPU-DJIMGWMZSA-N 334.416 1.979 0 40 EDAB Cc1nc(NC(=O)CCCS(C)(=O)=O)ccc1Br 96444390 IIVAUGUXTULZJA-UHFFFAOYSA-N 335.223 1.916 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CC2 97199049 HENUKGQJEVIOLD-CHWSQXEVSA-N 345.447 1.063 0 40 EDAB CN1C(=O)C[C@@H](CNCc2cccc3nccn23)[C@@H]1c1nccn1C 584581518 AOFXBVJRDYMFTI-SUMWQHHRSA-N 338.415 1.377 0 40 EDAB O=C(c1[nH]nc2c1CCCC2)N1CCN(CCc2ccccn2)CC1 95476416 XVSFQMJNSJHRMV-UHFFFAOYSA-N 339.443 1.684 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 247323701 MQKRIVQADQUBQI-ZDUSSCGKSA-N 338.429 1.434 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 247866806 OXQSVUNMNAITQG-CQSZACIVSA-N 329.356 1.660 0 40 EDAB O=C(Cn1cc(C2CC2)nn1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 585082401 NEQMHJXQIJVCDN-SJORKVTESA-N 340.427 1.780 0 40 EDAB CO[C@H]1C[C@@H](CO)N(C(=O)c2nc(C(F)(F)F)n3ccccc23)C1 585129766 VIQVLVDLTGBVBZ-UWVGGRQHSA-N 343.305 1.575 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2sc(C)nc2C)n1 257317419 VJRHVLILGDKCTC-GFCCVEGCSA-N 334.401 1.778 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2ccc(F)cc2)n1 257242786 IEDDNWBIFQIJRY-CYBMUJFWSA-N 325.365 1.619 0 40 EDAB CC(=O)N1CCN(C(=O)c2cc(C)nc(O)n2)C[C@H]1c1ccccc1 257246815 IVYHRVQTVUMSJD-INIZCTEOSA-N 340.383 1.536 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1c1cncc(-c2cccc(C(=O)O)c2)n1 257232724 GMCJDPGOJHLDRY-HNNXBMFYSA-N 347.396 1.938 0 40 EDAB CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2cnc(O)nc2O)nc1 257248806 JFHAZURECWCLCV-CQSZACIVSA-N 343.387 1.322 0 40 EDAB Cc1cc(CCNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc(C)c1O 252496486 PJIYUEHXCWOAEU-SJORKVTESA-N 347.459 1.666 0 40 EDAB NCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 257239426 HPEIXFIAFTYLLI-AWEZNQCLSA-N 329.379 1.877 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)[C@H]2CSc3ccccc3O2)CC1 70016311 LTOUKXJBSNCCHD-DZGCQCFKSA-N 336.457 1.455 0 40 EDAB CCn1cc(C(=O)N2CCOC[C@@H]2CCc2cnccn2)c(C)n1 257316994 VHWVYUOSBHNNFA-HNNXBMFYSA-N 329.404 1.475 0 40 EDAB Cc1ncsc1C(=O)N1C[C@@H](O)[C@H](N(C)Cc2ccc(F)cc2)C1 257267563 MHVOWECEVOALTL-HUUCEWRRSA-N 349.431 1.908 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1C(=O)c1ccsc1 257231976 GIWBIUGEQFDXNA-SNVBAGLBSA-N 341.414 1.088 0 40 EDAB Cc1cc(-c2cc(C)nc([C@H]3CCCN(S(C)(=O)=O)C3)n2)[nH]n1 257207244 BGZIRMDEGPLWCW-LBPRGKRZSA-N 335.433 1.623 0 40 EDAB O=C1NCCN(C(=O)[C@H]2CC[C@H](C(=O)O)CC2)[C@H]1c1ccccc1 262705345 JFSVFEJPIQAHOE-KKUMJFAQSA-N 330.384 1.577 0 40 EDAB OC1(CN2CCOC[C@](O)(COc3ccccc3)C2)CCCCC1 585275720 ABPAADRCBMXRNJ-IBGZPJMESA-N 335.444 1.824 0 40 EDAB O=C(COc1ncccn1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 585278004 ZNNAAGDFWUFCMO-HOTGVXAUSA-N 327.384 1.450 0 40 EDAB CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@@H](C(=O)O)c2ccccc21 669434410 RKEGKVJNFIQJLI-GFCCVEGCSA-N 339.413 1.805 0 40 EDAB CC(=O)N1CCC[C@@]1(CO)CC(=O)N1CCC(C(F)(F)F)CC1 585280806 PGOXQZOPOQNQNJ-AWEZNQCLSA-N 336.354 1.551 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1OC(F)(F)F)S(C)(=O)=O 48253105 XTYXSJBORRWGAZ-QMMMGPOBSA-N 325.308 1.635 0 40 EDAB CCc1nn(C)c(CC)c1CNC(=O)Nc1cnc(N(C)C)nc1 89279995 QMZWLIPASXPKAK-UHFFFAOYSA-N 331.424 1.723 0 40 EDAB CS(=O)(=O)C1CCN(C(=O)c2ccc3nsnc3c2)CC1 96098187 YPCGYKWTJOQPMK-UHFFFAOYSA-N 325.415 1.341 0 40 EDAB Cc1ccc([C@@H](O)CNC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1 41455993 LDDMYLNBJMWNTB-IRXDYDNUSA-N 340.427 1.851 0 40 EDAB Cc1noc(CN2CCN(c3ccc(C(F)(F)F)nn3)CC2)n1 301871234 CYLCKAJLVNBZGR-UHFFFAOYSA-N 328.298 1.509 0 40 EDAB CC(=O)N1CCC(N2CC[C@@](O)(COc3ccc(F)cc3)C2)CC1 1615191089 LOSSEPGSPLUTIG-SFHVURJKSA-N 336.407 1.652 0 40 EDAB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 13843277 AQUVPIJCCCVCET-UHFFFAOYSA-N 344.371 1.690 0 40 EDAB COc1ccccc1CNC(=O)C[C@@H]1CSc2ncc(C)c(=O)n21 14032049 CSSAPCYVBLTJDT-CYBMUJFWSA-N 345.424 1.914 0 40 EDAB Cc1noc(C)c1C(=O)N1CC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19579825 XQXXTBNKVZCCEQ-ZDUSSCGKSA-N 341.415 1.699 0 40 EDAB O=C(NCC[C@H]1CCCCN1C(=O)Cn1cncn1)c1ccccc1 19748940 DYKTUJGFZSIJOC-MRXNPFEDSA-N 341.415 1.479 0 40 EDAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2ccccc2)C3)C1 19752321 HMBKYHWRTOEBEZ-HNNXBMFYSA-N 325.416 1.743 0 40 EDAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 6011382 OZDVZULJKJKVKM-AATRIKPKSA-N 335.312 1.059 0 40 EDAB Cc1cc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)nc(C)n1 1888899360 HTROEYBPUTYBJX-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB Cn1c(N2CCC[C@@H](C(=O)N3CCSCC3)C2)nc2cccnc21 1889111364 ABTMPEWWLNFYJP-CYBMUJFWSA-N 345.472 1.760 0 40 EDAB O=S(=O)(C1CCCCC1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1259810620 CGEFNUMUYAYYFP-OKILXGFUSA-N 336.461 1.507 0 40 EDAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)N(C)c3ccccc3)nn12 20894624 OTRPEDSDHZRIQT-GFCCVEGCSA-N 339.355 1.641 0 40 EDAB O=C1NCCN1C(=O)N1CC[C@@H](Oc2cccc3cccnc23)C1 238916716 SPNHERRHNGSURP-CYBMUJFWSA-N 326.356 1.833 0 40 EDAB O=C(c1cnco1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037983758 DVPMQKNLVUKUKL-GOSISDBHSA-N 341.367 1.570 0 40 EDAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C)C=C[C@]3(C)O2)c1 100064689 WXLYEDYLTMZPAJ-OSLDLMBLSA-N 327.336 1.696 0 40 EDAB Cn1ccc(CC(=O)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 1142060405 HPCONSGZEPTMHV-DLBZAZTESA-N 325.416 1.233 0 40 EDAB Cn1cnc(C(=O)N2CCc3ncnc(-c4ccsc4)c3CC2)n1 1565551482 RBOSIEPGKCRQPB-UHFFFAOYSA-N 340.412 1.575 0 40 EDAB Cn1cnc(C(=O)N2C[C@H]3CCC[C@@]3(COCc3ccccn3)C2)n1 1565551497 GGSNTWDQRSDGPR-KDOFPFPSSA-N 341.415 1.669 0 40 EDAB Cc1ccc(C(=O)N2C[C@H]3OCCN(Cc4ccncc4)[C@@H]3C2)o1 2055750830 CPIARIBEPGIODN-NVXWUHKLSA-N 327.384 1.708 0 40 EDAB Cc1cccc(CN[C@H]2CCc3onc(CNS(C)(=O)=O)c3C2)c1 2055731582 HJXKIINVOZWVCV-AWEZNQCLSA-N 349.456 1.679 0 40 EDAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C(=S)NCc2ccco2)C1 100216021 HHQCQLQBOXVYPS-CHWSQXEVSA-N 329.425 1.935 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(c2ncnc3ccccc23)CC1 2086865946 CBMRFIIFOMQMAN-CQSZACIVSA-N 327.432 1.665 0 40 EDAB Cc1cccc(N2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)c1C 2086884333 DAVAQEUGAZEFTK-UHFFFAOYSA-N 328.416 1.027 0 40 EDAB C[C@@H](Oc1ccccc1F)C(=O)N1CC(CN2C(=O)COC2=O)C1 575617519 WKBVDYRFOZWNSM-SNVBAGLBSA-N 336.319 1.030 0 40 EDAB O=c1ccc(-c2ccncc2)nn1CC1CCN([C@H]2CC[C@@H]2O)CC1 585503585 SYYHXJCPSRMIDQ-ROUUACIJSA-N 340.427 1.541 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(c2nc3c(F)cccc3s2)C1 2298066028 RIGPZGKIKUZCEC-VIFPVBQESA-N 329.422 1.953 0 40 EDAB CCO[C@@H]1C[C@@H](O)C12CCN(c1nnnn1-c1ccc(C)cc1)CC2 96421015 KJVGTDWZPVRDRM-HZPDHXFCSA-N 343.431 1.727 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 31571286 JUQPYEOLLXEBLK-HNNXBMFYSA-N 342.351 1.490 0 40 EDAB CC(C)N1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 40500931 CCYRIXMHBINOMS-INIZCTEOSA-N 328.420 1.010 0 40 EDAB COc1ncccc1NC(=O)CSCC(=O)Nc1cc(C)on1 40539844 XSHYVHOETBQBCR-UHFFFAOYSA-N 336.373 1.697 0 40 EDAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(=O)[nH]c2)c1 40541792 HXHBGVYFPRPXJG-GFCCVEGCSA-N 327.384 1.833 0 40 EDAB C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1)N1CCCC1 40522497 RWFLNWYKSPMGJO-GOEBONIOSA-N 328.420 1.057 0 40 EDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)N1CCCCC1 32093934 OYZJWCPSIHEVOB-UHFFFAOYSA-N 341.371 1.046 0 40 EDAB CC(C)(C)C(=O)COC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 101246812 LHSSMWUHZBUBHT-ZDUSSCGKSA-N 331.368 1.664 0 40 EDAB Cc1ccc(N2N=C(C(=O)NCCc3cccs3)NCC2=O)cc1 32700681 VLDGTVYBNNBCGB-UHFFFAOYSA-N 342.424 1.665 0 40 EDAB COc1ccc([C@H]2CCCN2c2ccc3nnnn3n2)c(OC)c1 32871872 LENADZVJNDZVHY-CYBMUJFWSA-N 326.360 1.878 0 40 EDAB COCCOc1ccc(S(=O)(=O)NCc2nccs2)cc1 32935814 BJLWSSTWMHTODE-UHFFFAOYSA-N 328.415 1.647 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 52922338 SVXLVYNPAZQXPX-ZWKOTPCHSA-N 329.444 1.636 0 40 EDAB COc1ccc(CC[C@@]2(C)NC(=O)N(CN3CCOCC3)C2=O)cc1 23229547 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CCc1nc2n(n1)[C@@H](CC(=O)Nc1cc(OC)ccc1OC)C(=O)N2 31816058 CETLAJQYTSSRTQ-NSHDSACASA-N 345.359 1.380 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)c3cnn(C)c3)CC2)c(F)c1 11008593 GWMNUXDDUHTHFO-UHFFFAOYSA-N 330.363 1.724 0 40 EDAB COC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]12 6498210 PRQQFNDOCVAYKE-KKZNHRDASA-N 349.389 1.751 0 40 EDAB O=S(=O)(c1ccc(Cl)nc1)N1CCN(c2ncccn2)CC1 339794 LGUAHGXHIOKRTP-UHFFFAOYSA-N 339.808 1.036 0 40 EDAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC(N2CCNC2=O)CC1 52214865 NZMAAORRLXCPFH-HNNXBMFYSA-N 344.459 1.696 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)[C@H]1COc2ccccc2O1 32741208 ODUMARCNVJIOSP-QGZVFWFLSA-N 327.336 1.914 0 40 EDAB COc1cccc(CCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c1OC 32718964 BCHSRQHHLVSFNW-MRXNPFEDSA-N 341.429 1.330 0 40 EDAB CNC(=O)c1ccccc1NC(=O)CCc1c(C)nc(C)[nH]c1=O 32841730 VYKHZGUJGMAUNP-UHFFFAOYSA-N 328.372 1.318 0 40 EDAB O=C(N[C@H]1CCN2CCCC[C@@H]12)c1ccc(N2CCOCC2)nc1 32932460 HFWJRJNXNNAXTG-HOTGVXAUSA-N 330.432 1.275 0 40 EDAB Cc1ccccc1CN1CCC(C(=O)NCCN2CCOCC2)CC1 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HNEOJLZLLLJEKS-ZNMIVQPWSA-N 346.431 1.502 0 40 EDAB O=C(CCn1ccccc1=O)NC1(C(=O)NCC2CC2)CCCC1 96454621 QFOGTDMTHLYOIK-UHFFFAOYSA-N 331.416 1.194 0 40 EDAB CCN(CC)S(=O)(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 23404365 DUOTZCZBCGWOKR-LLVKDONJSA-N 334.463 1.327 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccncc2)cc1 1016087 LKBYZEZUNYDSAC-UHFFFAOYSA-N 349.412 1.027 0 40 EDAB O=S(=O)(NCc1ccc2c(c1)OCO2)N1CCc2ccccc2C1 24223901 KEAVDNGBAHIARI-UHFFFAOYSA-N 346.408 1.808 0 40 EDAB CCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 107645492 CGJQBHXKNONPJT-LLVKDONJSA-N 344.433 1.287 0 40 EDAB CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1nonc1C 89556415 RAPQIFQZVWUTJR-CQSZACIVSA-N 345.334 1.684 0 40 EDAB CCOc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(=O)OC)CC2=O)cc1 23152438 MPDDJLVJTPENQO-LBPRGKRZSA-N 348.399 1.506 0 40 EDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCC(=O)N1CCCC1 56322109 ZLXXNHYDQITJBB-DGCLKSJQSA-N 347.390 1.772 0 40 EDAB COCc1ccccc1CNC(=O)N1CCN(c2cnccn2)CC1 26389435 UOCZLAJKAZTEOX-UHFFFAOYSA-N 341.415 1.655 0 40 EDAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc3c(c2)CCO3)c1 25240492 KJPDOHNBTXGGJP-UHFFFAOYSA-N 346.408 1.923 0 40 EDAB CC[C@@](C)(NC(=O)c1ccn(-c2ccc(OC)cc2)n1)C(=O)OC 58182411 DVWJYMCHBCIBOG-QGZVFWFLSA-N 331.372 1.952 0 40 EDAB COc1ccccc1CCNC(=O)C(=O)Nc1c(C)nn(C)c1C 44891512 KMWHXYZOZVNVJV-UHFFFAOYSA-N 330.388 1.343 0 40 EDAB CC(C)c1ccccc1OC[C@H](O)CN1C(=O)[C@H]2CCCN2C1=O 44891882 AVBMGQHVTOESNW-UKRRQHHQSA-N 332.400 1.976 0 40 EDAB Cc1nc(C)c(CC(=O)NCCOc2ccc3c(c2)CCC3)c(=O)[nH]1 58218607 OVEXURRFGAFFMQ-UHFFFAOYSA-N 341.411 1.613 0 40 EDAB COCCOCCNC(=O)c1cccc(Cn2nc(C)cc2C)c1 58282481 XULZADMRIWXSMR-UHFFFAOYSA-N 331.416 1.941 0 40 EDAB Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H]1CCCNC1=O)C(C)C 58201971 XQHGJRRQZZZCEM-GJZGRUSLSA-N 331.416 1.144 0 40 EDAB Cc1ccc([C@@H](CNC(=O)CCSc2nnnn2C)N(C)C)cc1 58290305 MLUPBZAQRTTWNN-CQSZACIVSA-N 348.476 1.420 0 40 EDAB CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 58342746 MVTRMEVVABEEBE-KRWDZBQOSA-N 335.379 1.755 0 40 EDAB C[C@@H](Cc1ccccc1F)NC(=O)CCc1nc(-c2nc[nH]n2)no1 58332796 USWSAAAQWYCSLO-JTQLQIEISA-N 344.350 1.674 0 40 EDAB O=C(NCCc1cn2ccccc2n1)c1ccnc(-n2ccnc2)c1 48246069 NZEDWICKSGKRDF-UHFFFAOYSA-N 332.367 1.888 0 40 EDAB COc1ccc(CCC(=O)Nc2nc3ncccn3n2)cc1OC 48302767 ZBQWDVYLALESBT-UHFFFAOYSA-N 327.344 1.713 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1C[C@@H](O)COCc1ccccc1 48332581 AHLKUNLJAXTTEQ-OAHLLOKOSA-N 332.400 1.819 0 40 EDAB CCc1nnc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)s1 3410366 ZCYNAWBROOUARM-UHFFFAOYSA-N 345.384 1.376 0 40 EDAB CCOc1cc(CNC2CCN(C)CC2)ccc1OCC(=O)N(C)C 12988542 OFBZNQQRLHQQDG-UHFFFAOYSA-N 349.475 1.736 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 13001418 VZLMCACPMNLLLD-COPLHBTASA-N 326.418 1.594 0 40 EDAB COCCOc1ccccc1C(=O)N[C@@H](C)C(=O)NC1CCCC1 69322077 NDMBGDCXEADFOG-ZDUSSCGKSA-N 334.416 1.889 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CCc3nccn3C2)c1 65463217 PZZLMBQNQFSEQQ-CQSZACIVSA-N 333.413 1.173 0 40 EDAB CN1CCO[C@H](CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 65565422 FEHWHZJWSQHBOR-GOSISDBHSA-N 344.455 1.975 0 40 EDAB Cc1ccn2ncc(C(=O)NCCNC(=O)Cc3ccccc3)c2n1 65503804 IMMHBCNJVAGQGB-UHFFFAOYSA-N 337.383 1.126 0 40 EDAB CC(C)N(CC(N)=O)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C 69416516 PYISFTZUMCMWFE-GFCCVEGCSA-N 327.425 1.498 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3ccco3)n2N)C1 4538388 KUDBKORBMDQIBC-GHMZBOCLSA-N 335.433 1.849 0 40 EDAB COc1nc(C)ccc1CNC(=O)C(=O)Nc1cccc(F)c1F 65613881 VLZCCSTXAFPUDH-UHFFFAOYSA-N 335.310 1.932 0 40 EDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)OCC(=O)Nc1cc(F)ccc1C 6607079 OUAWTEDISBSMNC-XPTSAGLGSA-N 339.367 1.699 0 40 EDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(OCC(N)=O)cc1 69653911 BCDNTHSOJRXNTP-SJORKVTESA-N 345.443 1.640 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 8710442 QCNSYWSFZXQTPY-UHFFFAOYSA-N 341.386 1.904 0 40 EDAB Nc1nc(COC(=O)CN2CCCCCC2=O)nc2ccccc12 18261717 HKWRLLMTYCWFON-UHFFFAOYSA-N 328.372 1.658 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2OC)ccc1C 408604244 LNYKCAXIMDVFSB-UHFFFAOYSA-N 348.424 1.842 0 40 EDAB CC(C)N1CN(CCN2CCOCC2)c2nc3ccccc3n2C1 8992800 OFMWCBDXQHAJLZ-UHFFFAOYSA-N 329.448 1.814 0 40 EDAB CC(CO)(CO)NC(=O)Nc1ccc(Cl)c(Br)c1 92822447 ASCIJMFCEHSDBU-UHFFFAOYSA-N 337.601 1.967 0 40 EDAB CSc1ccsc1C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 71884247 MAKVTWQABCPBNX-UHFFFAOYSA-N 349.437 1.937 0 40 EDAB COc1ccc(CNC(=O)c2ccc3c(=O)[nH]cnc3c2)cc1OC 71282911 HMUFMENGNJRSED-UHFFFAOYSA-N 339.351 1.870 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cn(Cc2ccccc2)nn1 71829685 LQUJCQLOJBYYEE-GXTWGEPZSA-N 327.388 1.052 0 40 EDAB CN1CCO[C@H](C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)C1 83004780 NORALIKTAHVAEI-HOTGVXAUSA-N 348.834 1.573 0 40 EDAB C[C@H](NC(=O)NCCC(=O)N1CCOCC1)[C@@H](C)c1ccccc1 83184847 CBMGYLIANAVYCT-CABCVRRESA-N 333.432 1.727 0 40 EDAB CC[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1c1nncn1CC(C)C 89942148 VTJQMZGAPIZBGY-KGLIPLIRSA-N 335.452 1.760 0 40 EDAB O=C1[C@@H](Sc2nnnn2CC(F)(F)F)CCN1CC(F)(F)F 71910970 USCKPUFWOIKMFY-YFKPBYRVSA-N 349.260 1.491 0 40 EDAB Cn1c(CCCNC(=O)CCn2ccccc2=O)nc2ccccc21 71911407 HAVKYGALKZHHNL-UHFFFAOYSA-N 338.411 1.874 0 40 EDAB C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F 83927632 IXMOVXKKXMPIRM-GMSGAONNSA-N 342.314 1.483 0 40 EDAB CN(CCN1C(=O)CCC1=O)[C@@H]1CCN(c2ccccc2F)C1=O 75610705 CIWIQNMNUXPYHS-CQSZACIVSA-N 333.363 1.012 0 40 EDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3nc4ccccc4o3)C2)C1=O 76058963 QXYGNYBNVLKSJN-KZULUSFZSA-N 342.399 1.980 0 40 EDAB CCC[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 76019200 PAIRMTBWNNYRQZ-XIKOKIGWSA-N 348.399 1.436 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CC2)C1 72234055 JZZQVNXVSPPNRM-ZFWWWQNUSA-N 330.432 1.711 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CO)c1 97165458 XFAXGIVTPOEVDB-HNNXBMFYSA-N 335.429 1.744 0 40 EDAB CCn1ccnc1CN[C@@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C 72300618 AKEQZGXDVNJTIJ-UONOGXRCSA-N 328.482 1.441 0 40 EDAB CN(C[C@@H](O)C1CC1)C(=O)[C@@H]1CCCN1c1ncnc2sccc12 87557084 RCKHRUSKBZWOGL-UONOGXRCSA-N 346.456 1.889 0 40 EDAB CC(C)Oc1cccc(-c2nc(C(C)(C)NS(C)(=O)=O)no2)n1 97377676 GWXOANNDQRCNRZ-UHFFFAOYSA-N 340.405 1.703 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)CCO2)n1 78889523 JKQFVJWWUFTYMI-RDBSUJKOSA-N 344.419 1.365 0 40 EDAB COC(=O)[C@H](NC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1)C(C)(C)C 95398854 XNRQEAVIQWHQPH-NEPJUHHUSA-N 327.425 1.084 0 40 EDAB CC(C)C(=O)N1CC[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 95439873 RGAXYXKPMKTGIU-AWEZNQCLSA-N 327.388 1.254 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N2CCC([C@H](O)C(F)(F)F)CC2)C1 95433429 WNPCPPDFZSMIIJ-PWSUYJOCSA-N 344.399 1.598 0 40 EDAB O=C(OCc1ccccc1)C1CN(C(=O)CCOC[C@H]2CCCO2)C1 95467382 HSNHMFQQDMLVNO-QGZVFWFLSA-N 347.411 1.774 0 40 EDAB CCc1c(C(=O)N2CC(=O)N(C)C2)cnn1-c1cccc(Cl)c1 95464937 QUFYFKFHTVEVDM-UHFFFAOYSA-N 332.791 1.960 0 40 EDAB CCN(Cc1ccoc1)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 79359999 CYXGWRSLBDDUNJ-RDJZCZTQSA-N 344.415 1.971 0 40 EDAB Cn1nnc(-c2cccc(NC(=O)Cc3ccc4c(c3)OCC4)c2)n1 79494145 QPUUCGNLQLUWDC-UHFFFAOYSA-N 335.367 1.993 0 40 EDAB COCCN(C)S(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1 95940688 FOJLTZDBDYDPOO-UHFFFAOYSA-N 341.307 1.671 0 40 EDAB O=C1CN(C(=O)c2ccc(CNc3ncccc3Cl)cc2)CCN1 88701423 ILMYZWRUXVZPCT-UHFFFAOYSA-N 344.802 1.919 0 40 EDAB O=C1CN(CC(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)C(=O)N1 409412890 ZXYWHPWJNFPNIM-NSNWQYSKSA-N 327.384 1.237 0 40 EDAB COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(Br)cc1C 188607762 YUKBPMMQDCCIAI-QWHCGFSZSA-N 328.206 1.866 0 40 EDAB Cn1ccnc1[C@@H]1CNCCN1C(=O)c1ccnn1C1CCCC1 516048809 OZBFNDXBADNRNF-HNNXBMFYSA-N 328.420 1.518 0 40 EDAB Cn1nccc1C[C@@H]1CCCN1C(=O)c1ccc2c(n1)OCCO2 1551923079 YPPLGDRDIPULRI-ZDUSSCGKSA-N 328.372 1.434 0 40 EDAB COc1c2c(cc3c1OCO3)[C@@]13C=C[C@H](OC)C[C@@H]1N(C2)C[C@@H]3O 3978344 QAHZAHIPKNLGAS-KYWZPLQMSA-N 331.368 1.195 0 40 EDAB biogenic,in-vitro Cc1cc(C)n(CCNC(=O)c2nc3ccccc3c(=O)n2C)n1 32093482 XZUKQBPRSFWWIC-UHFFFAOYSA-N 325.372 1.177 0 40 EDAB CCOC(=O)c1csc(=O)n1Cc1cc(-c2cnn(C)c2)no1 187988419 FGUOLJFLBSNFCZ-UHFFFAOYSA-N 334.357 1.523 0 40 EDAB Cc1noc(Cl)c1CC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 77140243 MKTKWTPBBFZRGN-VHSXEESVSA-N 334.825 1.651 0 40 EDAB Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN(CCO)C2)n1 72361650 ZHZPXSFIZZIGOS-AWEZNQCLSA-N 328.420 1.799 0 40 EDAB O=C(NCc1ccccc1Cl)C1CN(C(=O)c2cnccn2)C1 70841850 FJAVVZPOERLMNL-UHFFFAOYSA-N 330.775 1.518 0 40 EDAB C[C@H](C(=O)NCCNS(=O)(=O)c1ccc(F)c(Cl)c1)C1CC1 564244579 PKAIAGBFLSQILU-VIFPVBQESA-N 348.827 1.920 0 40 EDAB Cc1ncc(C(=O)OCCCn2c(=O)[nH]c3ccccc3c2=O)s1 78445971 TXJWTRYJDGPDSL-UHFFFAOYSA-N 345.380 1.702 0 40 EDAB COc1ccc(N[C@H](C)C(=O)NCC(C)C)cc1NS(C)(=O)=O 36391676 KEHNAMQFNFUYPQ-LLVKDONJSA-N 343.449 1.639 0 40 EDAB Cc1[nH]nc2c1[C@@H](c1cc(Cl)ccc1O)c1c([nH]c(=O)[nH]c1=O)N2 31808590 JDLLIKONOFSAJL-SNVBAGLBSA-N 345.746 1.691 0 40 EDAB COc1cccc([C@@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCCO3)c1 72227684 BLOSDCBOTFCRPR-IAGOWNOFSA-N 326.352 1.882 0 40 EDAB Cc1cc(NC(=O)CN(C)[C@H](C)c2nnnn2-c2ccccc2)no1 72514917 ZDZQMWMEJYRDEN-GFCCVEGCSA-N 341.375 1.590 0 40 EDAB O=C(O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1F 40267130 WCDQZMGIXCECBS-CQSZACIVSA-N 336.298 1.430 0 40 EDAB COC(=O)[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(C)C 136882672 NUQPTKQWLJVZRL-ZENOOKHLSA-N 347.415 1.175 0 40 EDAB Cc1ccc2nnc(C(=O)N3CCN(c4ncccn4)CC3)nc2c1 46088599 CZCNTQMGXPGACA-UHFFFAOYSA-N 335.371 1.086 0 40 EDAB CCOC(=O)c1csc(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)n1 45883148 LBOMPUSWIIWCOP-JTQLQIEISA-N 339.417 1.763 0 40 EDAB O=C(NCCNc1ccc(Nc2cccnc2)nn1)c1cnccn1 49353456 TZCNWVBCNOIHNL-UHFFFAOYSA-N 336.359 1.247 0 40 EDAB COc1ccc(OCCCC(=O)NCCCN2CCOCC2)cc1 45162939 PRCFHOUITMREER-UHFFFAOYSA-N 336.432 1.693 0 40 EDAB NC[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 44528846 ZWTYDRNGFGXMEL-QMMMGPOBSA-N 339.280 1.870 0 40 EDAB CN(C)c1cnnc(N2CCN(C(=O)COc3ccccc3)CC2)c1 224308776 YOBHYGYJGDWHFY-UHFFFAOYSA-N 341.415 1.270 0 40 EDAB COc1ccccc1CNC(=O)[C@H]1CSc2ncc(C)c(=O)n2C1 85473628 RQSFQWNDVJKHMK-CYBMUJFWSA-N 345.424 1.599 0 40 EDAB Cc1nnc(NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)s1 44917704 ODNYLQXBHJOHQL-SNVBAGLBSA-N 331.357 1.575 0 40 EDAB CCc1nn(C)cc1CNC(=O)c1cc(N2CCOCC2)ccn1 133650363 QGRIUFPURJQGGL-UHFFFAOYSA-N 329.404 1.144 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)c3ccc(=O)[nH]c3)n2)cn1 225814042 ANVORWSNODVGTB-UHFFFAOYSA-N 341.327 1.149 0 40 EDAB COc1cc(CNC(=O)CCc2c(C)nc3ncnn3c2C)ccn1 40049481 RQZYXRFZLOEYLJ-UHFFFAOYSA-N 340.387 1.394 0 40 EDAB Cc1ccc(C(=O)N2CCN(C)CC2)c(I)c1 225019306 INUNBEBCDYUOTK-UHFFFAOYSA-N 344.196 1.987 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCC2(CO)CC2)[C@H]1c1cccc(F)c1 223226486 LHYVZFLXGKAPIA-GDBMZVCRSA-N 334.391 1.624 0 40 EDAB Cn1nc(CNC(=O)COc2ccccc2F)c2ccccc2c1=O 75148887 DORIVJHXSKDOGD-UHFFFAOYSA-N 341.342 1.768 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H](Oc2cccnn2)C1 225415365 KSLOQMLJGFUKAW-ZDUSSCGKSA-N 327.340 1.428 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@@H](C)Nc2ncnc3c2cnn3C)cc1 195567237 QPFWHCLMXFDNKB-GFCCVEGCSA-N 345.428 1.946 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCC([C@@H]2CCCO2)CC1)c1cnn(C)c1 195573812 JLERITRGSSWHFR-IRXDYDNUSA-N 349.479 1.623 0 40 EDAB O=C(NCc1ccccn1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95479588 BABASFABWBLWML-LBPRGKRZSA-N 335.367 1.627 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2 96106115 CZSLPFDNXZAIDV-INIZCTEOSA-N 333.432 1.420 0 40 EDAB CCO[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(-n3cnnn3)cc2)C1(C)C 96418933 XYTHYXYESWHZOR-JKSUJKDBSA-N 343.431 1.867 0 40 EDAB Cn1cc(N2CC3(CCN(Cc4cccnc4)CC3)OCC2=O)cn1 96201450 VQRIENSVOYXTAN-UHFFFAOYSA-N 341.415 1.213 0 40 EDAB CCOc1ncnc2c1CCN(S(=O)(=O)c1ccccc1)CC2 96255614 PYZSMICLGPZJAS-UHFFFAOYSA-N 333.413 1.665 0 40 EDAB C[C@@H]1CN=C(N2CCN(c3nnnn3-c3ccccc3)CC2)S1 96453740 SXNGHSZKANMPRQ-GFCCVEGCSA-N 329.433 1.276 0 40 EDAB COCCN1CCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1=O 96157774 DWWABOFDVLASHJ-UHFFFAOYSA-N 334.391 1.927 0 40 EDAB Cc1cc(CNS(=O)(=O)c2cnn(-c3ccccc3F)c2)no1 96427806 PQJFINJNNLTFIW-UHFFFAOYSA-N 336.348 1.786 0 40 EDAB O=S1(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2Oc2ccccc21 514288886 CTLHEGLGYUZWIF-ZBFHGGJFSA-N 330.409 1.610 0 40 EDAB biogenic,in-vitro O=C(c1ccncc1F)N1CC[C@H]2[C@@H]1CCN2CC1CCOCC1 96184467 XHQDBYCYNCBCPY-IRXDYDNUSA-N 333.407 1.936 0 40 EDAB Cc1nc(CN2CCO[C@H]3CN(Cc4ccncc4)C[C@H]32)cs1 96248769 WIERLQNTUKRAGU-SJORKVTESA-N 330.457 1.932 0 40 EDAB Cn1nnc2c1CCN(C(=O)C1CCC1)[C@H]2COCCN1CCCC1 96045312 RMKAOIVLEVSRPZ-INIZCTEOSA-N 347.463 1.153 0 40 EDAB Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)N1CCOCC1 96266306 IEZWUBGKMPKUOT-UHFFFAOYSA-N 341.415 1.555 0 40 EDAB Cc1ccoc1C(=O)N1CCc2ccc(=O)n(CCN(C)C)c2CC1 96196655 GABQMVTVHGYYOC-UHFFFAOYSA-N 343.427 1.552 0 40 EDAB O=C(O)C1CCN(c2nccn(Cc3ccccc3F)c2=O)CC1 96530515 MHVIIFOWIOIKMB-UHFFFAOYSA-N 331.347 1.732 0 40 EDAB Cn1nc(CNc2ncccn2)c2c1CN(C(=O)c1ccncc1)CC2 96255927 ZOIHHAJYVZXOKB-UHFFFAOYSA-N 349.398 1.416 0 40 EDAB C[C@H]1CN(Cc2cnn(C)c2)C[C@@]12CCN(Cc1cccnc1)C2=O 96201718 RTMJJCNBPMSVII-KXBFYZLASA-N 339.443 1.686 0 40 EDAB CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 96487008 PRWMJBLJUFMYKX-IRXDYDNUSA-N 330.428 1.886 0 40 EDAB Cn1cc(CN2CCO[C@H]3CC[C@H]2[C@@H]3OCc2ccncc2)cn1 248135030 OGJQTSOTSUFGOZ-BZSNNMDCSA-N 328.416 1.764 0 40 EDAB NC(=O)c1cc(O[C@@H]2CCN(C(=O)/C=C/c3ccco3)C2)ccn1 240122703 WHNAJPHGBGSXLO-CQSZACIVSA-N 327.340 1.467 0 40 EDAB Cn1cnc2c1[C@H](C(=O)N1CC=CC1)CN(Cc1ccsc1)C2 248027992 KEJPPPXFBJWSRC-CQSZACIVSA-N 328.441 1.979 0 40 EDAB O=C(CCCn1cccn1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 583652733 DTQPWOFVBSZEMJ-PMPSAXMXSA-N 330.432 1.523 0 40 EDAB biogenic CN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ccc(F)cc1 257326012 WVKLAZSXHLQHID-GOSISDBHSA-N 342.374 1.835 0 40 EDAB C[C@]1(C2CCN(CC(N)=O)CC2)CN(Cc2ccccc2)C(=O)CO1 257218632 DDWLBFFGTBMINM-LJQANCHMSA-N 345.443 1.001 0 40 EDAB CCN1CCN(c2nn(-c3cccc(Cl)c3)nc2C(=O)O)CC1 256045813 BCQKSOHYSXLKDO-UHFFFAOYSA-N 335.795 1.761 0 40 EDAB O=C(c1noc2c1CCCC2)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257268102 MKFFXFXZMKEXKB-GDBMZVCRSA-N 346.358 1.957 0 40 EDAB O=C(C1CCCC1)N1C[C@@H](O)[C@H](N2CCN(c3ccccc3)CC2)C1 257269720 MRCCSFZJJKCJGW-RTBURBONSA-N 343.471 1.571 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2cccnc2)n1 257331945 XUZMAVPLBDTJJQ-MRXNPFEDSA-N 325.372 1.485 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCO[C@H](CCc3ccncn3)C2)cc1 257216160 CTKHJYHQQHMASJ-MRXNPFEDSA-N 347.440 1.807 0 40 EDAB Cc1ccn(CCC(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)n1 257201889 AJMZNYQNRDTLBB-MRXNPFEDSA-N 343.431 1.643 0 40 EDAB CC(=O)N1CCN(CC(=O)N2CCCCC2)C[C@@H]1c1ccccc1 257216084 CTAFIGVLTAFLSV-GOSISDBHSA-N 329.444 1.904 0 40 EDAB O=S(=O)(c1cn[nH]c1)N1C[C@@H](c2ccccc2)[C@@H]2NCCCC[C@@H]21 257304514 SMAIIELVMXZPEH-ULQDDVLXSA-N 346.456 1.709 0 40 EDAB NS(=O)(=O)c1ccc(SCC(=O)NCC[C@@H]2CCCO2)cc1 585135301 APGPSZQAYJFTMQ-NSHDSACASA-N 344.458 1.111 0 40 EDAB CC(C)CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]1[C@]1(C2)NC(=O)NC1=O 585131817 HCWGDTDSALYFEZ-FWIBFFJGSA-N 335.448 1.942 0 40 EDAB CC[C@H]1NC(=O)N(C[C@@H](O)COc2ccc(CCC(C)=O)cc2)C1=O 585138182 TVPLWTVTLUYFHW-GDBMZVCRSA-N 348.399 1.278 0 40 EDAB O=C(CCN1CCN(Cc2nc[nH]n2)CC1)Nc1cccc(F)c1 585116238 MYEIGOAMMSLRER-UHFFFAOYSA-N 332.383 1.090 0 40 EDAB Cc1cnn(CC(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)c1 257297892 RJFVMGIAHOLVSF-HOTGVXAUSA-N 330.388 1.017 0 40 EDAB O=C(N[C@H]1CCN(Cc2cccnc2)C[C@@H]1O)c1cccc(F)c1 1090022953 MRZJBJGOXCIECW-IRXDYDNUSA-N 329.375 1.586 0 40 EDAB N[C@H]1CN(C(=O)NCc2ccc(Br)cn2)CC12CCC2 1615589021 IBKUOVXVFOWCQA-LBPRGKRZSA-N 339.237 1.867 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc3cc[nH]c3cn2)C1 606444823 MTVQESZRUSSKNS-GFCCVEGCSA-N 336.417 1.563 0 40 EDAB O=C(CCCn1cccn1)N1CCO[C@](CO)(Cc2ccccc2)C1 585270785 AODJJZKYYKWPAX-LJQANCHMSA-N 343.427 1.496 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccc(F)cc1)C2 585102933 JJLVTJWYIDDMGT-AWEZNQCLSA-N 327.421 1.851 0 40 EDAB CCn1cc(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)c2ccccc21 585182234 DDSMEAWVJMTRGW-QZTJIDSGSA-N 327.428 1.942 0 40 EDAB CCCNC(=O)C1=NO[C@]2(CCCN(c3nc(C)cc(C)n3)C2)C1 585101246 QQMXCYQHWKHLKT-QGZVFWFLSA-N 331.420 1.735 0 40 EDAB Cc1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)s1 71884356 HYHDVABUJSDUGI-UHFFFAOYSA-N 334.488 1.165 0 40 EDAB C[C@]12CC[C@H]3C(=CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@@]43C)[C@]1(O)CCC2=O 86004844 OMQCWEJQYPUGJG-HIZUEUFFSA-N 334.412 1.144 0 40 EDAB biogenic,in-vitro O=C(O)c1ccc(S(=O)(=O)N2CCC[C@H]2C2CCOCC2)cc1 578010084 WLQCNBUIDCTXNX-HNNXBMFYSA-N 339.413 1.965 0 40 EDAB CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NC[C@H](C)c1nccs1 1616033936 DWCPHUWQYGQPRJ-GARJFASQSA-N 332.447 1.365 0 40 EDAB COC(=O)C[C@@H]1CN(c2ccc(Br)c(C)n2)CCO1 225575403 JXQZRHHDUPABBE-SNVBAGLBSA-N 329.194 1.921 0 40 EDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc3c(c1)OCCO3)C2 12144711 UAUQJNNPKYGYKQ-UHFFFAOYSA-N 327.340 1.048 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1F 17012107 MFWTXLWGPQPKNI-XPTSAGLGSA-N 340.326 1.846 0 40 EDAB O=C(Cn1nc(-c2ccco2)ccc1=O)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 169680725 YOBAGYOIGXEWRY-MJBXVCDLSA-N 325.368 1.832 0 40 EDAB O=C(CCCS(=O)(=O)N1CCCC1)Nc1ccc2[nH]nnc2c1 153499917 QAXWZRQYZAXUSC-UHFFFAOYSA-N 337.405 1.102 0 40 EDAB CC1(C)C(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)C1(C)C 155254254 YKHVBLNYTBMCEX-JTQLQIEISA-N 345.486 1.681 0 40 EDAB COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1O 6406715 BQWCDEWARXJVKV-KPKJPENVSA-N 342.307 1.656 0 40 EDAB O=C(c1ccnc(OC2CCOCC2)c1)N1CCN(C2CCC2)CC1 244983769 IQOGXWMWYYYOMU-UHFFFAOYSA-N 345.443 1.950 0 40 EDAB Cc1nc2ccccc2nc1N1CCO[C@H](C(=O)N2CCCC2)C1 1889131795 FMSVBWCOCLQQTE-INIZCTEOSA-N 326.400 1.766 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1NS(C)(=O)=O 24895059 VJCYKKBOVMBNJL-UHFFFAOYSA-N 336.417 1.590 0 40 EDAB CCOc1ccc(CC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 29189810 OFIAWTSYMXOLNX-AWEZNQCLSA-N 340.445 1.168 0 40 EDAB COc1ccc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)cc1F 30325775 VLTHOWZVVNSXGR-LBPRGKRZSA-N 347.408 1.698 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC[C@@H](COc2ncc(C)cn2)C1 1775995739 GVTKCECVGBZBAK-CYBMUJFWSA-N 345.403 1.458 0 40 EDAB Cc1nc2sccc2c(=O)n1CCNC(=O)c1cc(C2CC2)n[nH]1 239612024 FHKFDTBRZMLRFV-UHFFFAOYSA-N 343.412 1.797 0 40 EDAB CCn1cc(C(=O)N2CC[C@@H]3OCC(=O)N(C(C)C)C[C@H]3C2)cn1 2037984414 ADDAFQWFJBAMOI-CABCVRRESA-N 334.420 1.001 0 40 EDAB O=S(=O)(C1CC1)N1CCN(c2nccc(-c3cccnc3)n2)CC1 2086950016 ZJEDILBHBIQZJM-UHFFFAOYSA-N 345.428 1.153 0 40 EDAB CN(C)Cc1nnn2c1CN(C(=O)c1cc(C3CC3)on1)CCC2 1565541875 GWFFRLARNLKUJT-UHFFFAOYSA-N 330.392 1.251 0 40 EDAB CC(C)c1cc(=O)n(CC(=O)N2CCN(c3ccccc3)CC2)cn1 38509983 YLWVXFZMOAWFAT-UHFFFAOYSA-N 340.427 1.716 0 40 EDAB Cc1ccccc1OCC(=O)NCCCc1cnc2ncnn2c1 225641817 RZZOMLMWKDLTRU-UHFFFAOYSA-N 325.372 1.561 0 40 EDAB COCCOCC1CCN(C(=O)CNC(=O)c2ccccc2)CC1 49028775 FUNSWTKAORNZIZ-UHFFFAOYSA-N 334.416 1.318 0 40 EDAB COc1ccc(-c2ccc3nnc(SCC(N)=O)n3n2)cc1OC 5167520 XKXJNPNSXIAXHT-UHFFFAOYSA-N 345.384 1.386 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1 423457 MGRBFBYYRDPMKO-SNVBAGLBSA-N 345.380 1.256 0 40 EDAB Cc1c([C@H](C)NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cnn1C 24998095 IAGWGEXPDSXCKR-NSHDSACASA-N 339.399 1.775 0 40 EDAB O=C(OCc1nc2ccccc2n1C(F)F)[C@@H]1CCS(=O)(=O)C1 55543469 LKWLKJFHBZWXJL-SECBINFHSA-N 344.339 1.909 0 40 EDAB O=c1n(CCN2CCC[C@@H]2c2noc(C3CC3)n2)nc2ccccn12 78891770 DXWWCBSBNKAHTE-CYBMUJFWSA-N 340.387 1.594 0 40 EDAB Cn1c(=O)c2[nH]c(SCCN3CCCCC3)nc2n(C)c1=S 1657080 VHSLUSJLIQSFMG-UHFFFAOYSA-N 339.490 1.908 0 40 EDAB CCOC(=O)[C@@]1(CC)C(=O)O[C@@H](C(=O)NC2CCCCC2)[C@@H]1C 4559542 YGKNEFFMXHQDKE-PPHDSNJXSA-N 325.405 1.956 0 40 EDAB CCCCNC(=O)CN(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 43801878 CMVQTDYLQXVSBP-ZDUSSCGKSA-N 344.502 1.654 0 40 EDAB CCc1ccccc1OCC(=O)NCCn1nc2ccccn2c1=O 57239671 YMHRLQOOJVYNGM-UHFFFAOYSA-N 340.383 1.254 0 40 EDAB Cc1ccc(C(=O)n2nc(N)c3ccccc32)cc1NS(C)(=O)=O 57963958 QNJVNLGLCAFBPB-UHFFFAOYSA-N 344.396 1.987 0 40 EDAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)Cn2ccc(=O)[nH]c2=O)C2CC2)o1 27277783 VMHWGOMXEPKBDV-SMDDNHRTSA-N 343.383 1.444 0 40 EDAB Cc1c(F)cccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 8330320 IJORQNXNKBWPBN-UHFFFAOYSA-N 348.355 1.917 0 40 EDAB CC(C)NC(=O)CN(C)Cc1nc(COc2ccc(F)cc2)no1 58102636 DNBUTJDMIJDEFE-UHFFFAOYSA-N 336.367 1.744 0 40 EDAB Cc1cc(C)cc(OC[C@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 58144666 DELTWVSGUIIWAO-KDOFPFPSSA-N 332.400 1.764 0 40 EDAB O=C(NC1CCCCCC1)c1ccc(S(=O)(=O)CCO)cc1 58169271 IKTLSLDOMWYNQK-UHFFFAOYSA-N 325.430 1.905 0 40 EDAB O=C(CCSc1ccccc1)NCCn1nc2ccccn2c1=O 58224157 NXSALLOMKMVDRA-UHFFFAOYSA-N 342.424 1.795 0 40 EDAB Cc1cc(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)n(C)n1 58265611 YGOOXTIDJDAHAA-ZDUSSCGKSA-N 345.325 1.032 0 40 EDAB CS(=O)(=O)c1ccc(NCC[C@H]2CCCO2)c(S(C)(=O)=O)c1 58265456 CGSDBVCCIWESGH-LLVKDONJSA-N 347.458 1.475 0 40 EDAB CCN(CC)[C@@H](C)CNC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 58291573 GSQGTMOOYXZXFZ-STQMWFEESA-N 344.452 1.834 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)NC1CCN(c2ncccn2)CC1 44939017 PMSLDKMZDJKDKX-UHFFFAOYSA-N 342.447 1.545 0 40 EDAB COCCN(C(=O)c1nn(-c2ccccc2F)c(C)cc1=O)C1CC1 44955469 CAXKINLZUNENAX-UHFFFAOYSA-N 345.374 1.931 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCOC[C@@H]1C 44912494 DPJJNNFWPCRJHK-LBPRGKRZSA-N 327.384 1.919 0 40 EDAB C[C@@H](NC(=O)NCCCNS(C)(=O)=O)c1ccccc1Cl 44908687 QOLAFCTWXIGRKB-SNVBAGLBSA-N 333.841 1.640 0 40 EDAB CC(=O)N1CCN(CCNC(=O)c2csc3c2CC[C@@H](C)C3)CC1 44940063 JPWXDPUTSATYIK-CYBMUJFWSA-N 349.500 1.767 0 40 EDAB CC(C)[C@H](NC(N)=O)C(=O)NCc1csc(Br)c1 44938921 BRHDVIMPHNTCAN-VIFPVBQESA-N 334.239 1.820 0 40 EDAB Cc1cc(C)c(CNC(=O)CN2C(=O)COc3ccccc32)c(=O)[nH]1 10457937 OXZINGBTEUDOGP-UHFFFAOYSA-N 341.367 1.034 0 40 EDAB COc1ccc(-c2nc(CN3CCNC(=O)C3)cs2)cc1OC 57450374 YHNCCJICCMGBFY-UHFFFAOYSA-N 333.413 1.759 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2cnn(C(F)F)c2)n1 36615027 DJYWQZUIGRNKFU-SECBINFHSA-N 347.391 1.706 0 40 EDAB C/C=C/c1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 36724908 GAIHJHFDNAQGHM-MUBLQREKSA-N 339.413 1.654 0 40 EDAB Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC3(CC1)NC(=O)NC3=O)C2 45728630 BKHMAXBUIMXXMQ-CYBMUJFWSA-N 345.424 1.212 0 40 EDAB CS(=O)(=O)NCCNC(=O)Cc1ccc(-c2ccccc2)cc1 29680026 BLBZKEOAOCCQEQ-UHFFFAOYSA-N 332.425 1.562 0 40 EDAB NC(=O)Cn1cc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 58344510 UDECCRNFNYGYEQ-UHFFFAOYSA-N 348.306 1.406 0 40 EDAB COc1ccc2nnc(CCCC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)n2n1 101369734 WPMVWUMURKBMIQ-IHRRRGAJSA-N 341.415 1.784 0 40 EDAB Cc1ccc(C(=O)Cc2c(Cl)nc3n(C)c(=O)n(C)c(=O)n23)cc1 28527218 NSXMKAAPLXUXBV-UHFFFAOYSA-N 346.774 1.119 0 40 EDAB Cc1oc(C(=O)NC[C@H]2CCOC2)cc1S(=O)(=O)N1CCCC1 48237325 RMDVNNKTJMGHTE-GFCCVEGCSA-N 342.417 1.139 0 40 EDAB O=c1[nH]c(CN2CCN(CC(F)(F)F)CC2)nc2ccsc12 22933324 ASVWXRYOZJWGJF-UHFFFAOYSA-N 332.351 1.665 0 40 EDAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N[C@H]1CCCNC1=O 64098508 LFQNCKKMOLEUAZ-LBPRGKRZSA-N 338.791 1.439 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(CCCOc2ccc(F)cc2)CC1 39987547 XVSXMBPPHOOPIA-QGZVFWFLSA-N 336.407 1.918 0 40 EDAB CCS(=O)(=O)NCCCNc1ccc(Br)c(C)n1 96009702 HGYGGUDFVDXNPL-UHFFFAOYSA-N 336.255 1.894 0 40 EDAB Cc1nc(C(=O)N2CCN(C(C)C)CC2)nn1-c1ccc(F)cc1 65441002 AQGOWTODFLMPEW-UHFFFAOYSA-N 331.395 1.881 0 40 EDAB CN(C)C(=O)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 65517877 MPYJAEHTXAOSMP-KRWDZBQOSA-N 346.475 1.676 0 40 EDAB CCOCCS(=O)(=O)Nc1ccccc1N1CCN(CC)CC1 65565890 UGVVJDNTGCUHHO-UHFFFAOYSA-N 341.477 1.607 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)c2cnn(-c3ccccc3)n2)c1 14164050 CHHJRDLMXWBZRO-UHFFFAOYSA-N 346.354 1.710 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2cnn(-c3ccccc3)c2)n1 14160238 GNYISNPFBPNXNP-UHFFFAOYSA-N 327.369 1.609 0 40 EDAB Cc1nc(C(=O)N[C@H](C)c2nncn2C)nn1-c1ccccc1Cl 65612819 DDWUEAAJEXTUQY-SECBINFHSA-N 345.794 1.849 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)cc1 6669267 RKPKIPVVCDRCBT-UHFFFAOYSA-N 338.360 1.751 0 40 EDAB O=C(CSc1ccccc1F)NCCN1C(=O)CSC1=O 6784403 QWGDYCXXXQKLNX-UHFFFAOYSA-N 328.390 1.729 0 40 EDAB O=C(Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12)c1ccc(F)cc1 9360019 IWIBYDAYADKATQ-UHFFFAOYSA-N 341.224 1.828 0 40 EDAB COc1ccccc1CNC(=O)c1nnn(Cc2ccccc2)c1N 4852166 WIVIJDHACYNZFT-UHFFFAOYSA-N 337.383 1.847 0 40 EDAB O=C(COC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21)NC1CC1 7025035 JZNFITLHROJJQO-CQSZACIVSA-N 329.356 1.043 0 40 EDAB Cc1cc(Br)ccc1NC(=O)Cn1ccc(=O)[nH]c1=O 15764674 KZUHAHQWOOGGLB-UHFFFAOYSA-N 338.161 1.246 0 40 EDAB CCNc1nc(SCC(N)=O)nc2sc3c(c12)CCN(C)C3 19897405 VTRFYCAOKBNLIC-UHFFFAOYSA-N 337.474 1.688 0 40 EDAB CCOCCn1nnc(C2(NC(=O)c3ccccc3)CCCC2)n1 96408060 VWYYDGSRRBVRBX-UHFFFAOYSA-N 329.404 1.909 0 40 EDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCc1cccs1 7829719 GCJOPVOOXGOTTM-UHFFFAOYSA-N 335.429 1.662 0 40 EDAB O=C([C@H]1CCCN(Cc2ccccc2)C1)N1CCCn2ncnc21 71841579 CNNHBXZYXPKGOR-INIZCTEOSA-N 325.416 1.927 0 40 EDAB COC(=O)CN1CCN(c2ccc(NC(=O)N3CCCC3)cc2)CC1 71803087 UOHGHHNSFMSOTJ-UHFFFAOYSA-N 346.431 1.609 0 40 EDAB O=C(CCCn1cccn1)N1CCN(C[C@H](O)c2ccccc2)CC1 71863765 GLLGMNFVIAGJKW-SFHVURJKSA-N 342.443 1.541 0 40 EDAB CNC(=O)[C@H]1CCCN1CC(=O)Nc1cc(C)c(Cl)cc1OC 69381874 CIDOKELLFBXRNI-CYBMUJFWSA-N 339.823 1.806 0 40 EDAB COc1ccnc(N2CCN(C(=O)C[C@H](C)n3cccc3)CC2)n1 69348516 DJYPRUIPSZCYTJ-AWEZNQCLSA-N 329.404 1.587 0 40 EDAB CC(=O)N1CCN(C(=O)c2cccc(Br)c2O)CC1 69370151 VLWXXDADRUYUNM-UHFFFAOYSA-N 327.178 1.459 0 40 EDAB O=C(COCCOc1ccccc1)NCCNC(=O)CC1CCCC1 69441595 FUASRGGIECJPFK-UHFFFAOYSA-N 348.443 1.895 0 40 EDAB C[C@@H](C(=O)NCCc1cccs1)N1CCO[C@H](Cn2cccn2)C1 69461690 DDWALVQASWMMLJ-GJZGRUSLSA-N 348.472 1.393 0 40 EDAB Cc1cnn(C[C@H]2CN(CC(=O)N(C)Cc3ccccc3)CCO2)c1 69492996 XSZBLMWSOIEBQQ-GOSISDBHSA-N 342.443 1.551 0 40 EDAB Cc1cc(N2CCC[C@H](Cn3nc(C)nc3C)C2)n2ncnc2n1 69698087 VHFIKDURXBPECF-AWEZNQCLSA-N 326.408 1.558 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NNc2ncccn2)[C@H]1c1cccc(Cl)c1 71908810 CTNFWHGDHAPTNO-TZMCWYRMSA-N 345.790 1.793 0 40 EDAB Cc1cc(Br)ccc1C(=O)N1CCCN(C(N)=O)CC1 69812527 UVVXILGRWPEWDU-UHFFFAOYSA-N 340.221 1.984 0 40 EDAB C[C@H]1CN(CCCNc2cc(N3CCC[C@@H]3CO)ncn2)C[C@@H](C)O1 72276047 PMXVGGKJQJTLFR-OWCLPIDISA-N 349.479 1.349 0 40 EDAB COCc1cccc(CNC(=O)NC[C@@H](c2cnn(C)c2)N(C)C)c1 72287691 XQTZSSYVGLVNDI-KRWDZBQOSA-N 345.447 1.669 0 40 EDAB C[C@H](CNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Cn1ccnc1 72292991 DCNFTWSLGAAKMV-KFWWJZLASA-N 346.431 1.201 0 40 EDAB O=C1C[C@H](NC(=O)N2CCC(CO)CC2)CN1Cc1ccccc1 72274355 PSPSNWIHPIJOGI-INIZCTEOSA-N 331.416 1.201 0 40 EDAB COc1cccc2c1CCN(C(=O)N[C@@H]1CCc3nc(C)nn3C1)C2 97083223 UVEJXMJEPBIWSL-CQSZACIVSA-N 341.415 1.678 0 40 EDAB CC(C)(C)c1noc(C2(NC(=O)Cn3ccnn3)CCCCC2)n1 97085823 KOGMIXDMBJYCPI-UHFFFAOYSA-N 332.408 1.934 0 40 EDAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCc1ccc(=O)[nH]c1 73798189 MPZMPUIPJVELOT-QGZVFWFLSA-N 341.411 1.282 0 40 EDAB CCN(C)S(=O)(=O)NC1CCN(C(=O)c2ccccc2F)CC1 72677397 FEJUZDVLLJNAQD-UHFFFAOYSA-N 343.424 1.216 0 40 EDAB CCc1ccc(C(=O)Nc2ccn(CC(=O)N3CCN(C)CC3)n2)o1 95399038 FBIICEKTPPUKTI-UHFFFAOYSA-N 345.403 1.065 0 40 EDAB CC(C)[C@H](NC(=O)N1CCN(C2CC2)CC1)c1nnc2n1CCC2 95393994 YPBOJAWQLKTQMY-HNNXBMFYSA-N 332.452 1.411 0 40 EDAB CN1CCN(c2ccc(C(=O)OCCn3cccn3)cc2F)CC1 95456254 VMOIUGJBTLEOPE-UHFFFAOYSA-N 332.379 1.631 0 40 EDAB Cc1cccc(OCC(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c1 95425318 LKLNFFZVTDQFQM-UHFFFAOYSA-N 348.399 1.155 0 40 EDAB CC(C)C(=O)NCCN(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 95453641 YPZMTBYPMYLHFE-KRWDZBQOSA-N 347.459 1.118 0 40 EDAB O=C(CCn1cccn1)N[C@@H]1CCCN(Cc2ccccc2)C1=O 95446934 IKGAYYUTQXMXTJ-MRXNPFEDSA-N 326.400 1.581 0 40 EDAB Cc1nc(N2CCN(C(=O)NCCCn3ccnc3)CC2)sc1C 95435972 YBUPDWJNXHELRF-UHFFFAOYSA-N 348.476 1.878 0 40 EDAB Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCc3ccc(F)cc3C2)c1 95981832 LKNCZEPKWKPLKH-UHFFFAOYSA-N 348.399 1.980 0 40 EDAB CCN(Cc1ccccc1)S(=O)(=O)NCCNc1ccccn1 84777560 MWHPUMWCJXWOLI-UHFFFAOYSA-N 334.445 1.850 0 40 EDAB CCOC(=O)c1cnn([C@H]2CCCN(Cc3cn(C)nc3C)C2)c1 95999626 HPYWPKRTTIFIQO-INIZCTEOSA-N 331.420 1.939 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)CN(C)c1ncnc2[nH]cnc12 95956199 ILWREZDYBBSVDR-VIFPVBQESA-N 342.407 1.017 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)c(C)c1C 75103713 MHZAUSGUZPSELT-QWHCGFSZSA-N 340.445 1.634 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cccc2c1OCO2 89774322 FKJLZCZJFSRFPA-CHWSQXEVSA-N 344.367 1.207 0 40 EDAB COc1ccc(CCNC(=O)[C@H](C)N2CCN(C)C[C@H]2C)cc1OC 89938885 ZJHZJLKPHKREJS-CABCVRRESA-N 349.475 1.387 0 40 EDAB CC(C)n1nc2c(cc1=O)CN(CC[S@@](=O)c1ccccc1)CC2 76064973 FCCLUVQULUPRHA-DEOSSOPVSA-N 345.468 1.990 0 40 EDAB CCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408586478 AIZXXZZYXIUVGT-LBPRGKRZSA-N 328.434 1.524 0 40 EDAB CC(C)[C@H](C(=O)NC[C@@]1(O)CCCc2ccccc21)N1CCCC1=O 66930365 QVFUPTIQNULHMP-QUCCMNQESA-N 344.455 1.974 0 40 EDAB O=C(c1cnccc1C(F)(F)F)N1CCN(c2cccnn2)CC1 515863145 MCASZMQUMZRXOS-UHFFFAOYSA-N 337.305 1.853 0 40 EDAB COc1ccccc1/C=C1/SC(=S)N([C@H](CO)C(=O)O)C1=O 35648408 AMGKYIWYVPKHMU-VKRGWIQLSA-N 339.394 1.342 0 40 EDAB CCOC(=O)CCN(C)Nc1cc(=O)n(C(C)C)c(=O)n1C(C)C 32918662 GVUHATRJYQLPEW-UHFFFAOYSA-N 340.424 1.384 0 40 EDAB Nc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nn1 72387402 QRCANIDHURSWDK-ZDUSSCGKSA-N 332.429 1.702 0 40 EDAB C[S@@](=O)c1nncn1-c1nc(-c2ccncc2)nc2c1CCC2 79311257 ZQXZQASIZJJTTQ-QHCPKHFHSA-N 326.385 1.345 0 40 EDAB Cc1nnc(NC(=O)Cn2cc(-c3ccccc3)ncc2=O)s1 72404270 YFJPLYVNRMFXRO-UHFFFAOYSA-N 327.369 1.709 0 40 EDAB CC(=O)N1CCN(Cc2ncc[nH]2)C[C@H](COc2ccccc2)C1 72374470 PRYDBUXEJYTZAN-INIZCTEOSA-N 328.416 1.769 0 40 EDAB Cc1n[nH]c2ncc(NC(=O)[C@@H]3COCCN3CC(F)F)cc12 188285465 MLAXURXMAXNHTO-NSHDSACASA-N 325.319 1.171 0 40 EDAB CCCCN1CCN(CC(=O)Nc2ccsc2C(=O)OC)CC1 71328488 CBHCWGPXICWBBO-UHFFFAOYSA-N 339.461 1.891 0 40 EDAB CCN(CC)c1cc(C)c2c(n1)sc1c(=O)n(CC(N)=O)cnc12 71280034 PQBLYFPLKSXGAR-UHFFFAOYSA-N 345.428 1.646 0 40 EDAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc(-n2cnnn2)cc1 72243041 GUBOFJFVHGTTQF-INIZCTEOSA-N 335.371 1.568 0 40 EDAB Cc1cc(C(N)=O)nc([C@]2(C)CCCN2C(=O)c2cncs2)n1 72388485 CKVZBIOTTJBTLT-HNNXBMFYSA-N 331.401 1.492 0 40 EDAB COc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)sc1Br 560636748 XATXZFRPNHLATP-YUMQZZPRSA-N 349.250 1.266 0 40 EDAB CN1C(=O)N[C@H](c2ccc(O)cc2)C2=C1CN(C[C@H]1CCCO1)C2=O 36678951 UAFMWOCKXPXOOI-CZUORRHYSA-N 343.383 1.364 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(Cc2ccon2)CC1 77250844 GEAYPOMDUOQIOF-UHFFFAOYSA-N 342.465 1.302 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)c2ccc(F)cc2Cl)n1 78028745 UJMYMHNASDBZQW-UHFFFAOYSA-N 345.783 1.973 0 40 EDAB CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C[C@@H]3C(=O)O[C@H](C)[C@H]3[C@H]2C(=O)O)C1 504000834 IYJNBOZDJDFHBC-BGBUGSAUSA-N 339.388 1.800 0 40 EDAB O=C1CC[C@H](NC(=O)c2ncc3c(F)cccn23)[C@@H]([C@H]2CCCO2)N1 529403178 SETWTODJPCBXQQ-LNSITVRQSA-N 346.362 1.029 0 40 EDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)c1ccnn1CC(C)C)C2 569009587 AHGUNPOUCDNKDJ-AWEZNQCLSA-N 345.447 1.324 0 40 EDAB O=C([C@@H]1Cc2ccccc2CO1)N1CC[C@@H](Oc2cnccn2)C1 225796035 CFFIETNXENUHNC-CVEARBPZSA-N 325.368 1.598 0 40 EDAB c1cnc(-c2nc(CN3CCO[C@H](Cn4cccn4)C3)cs2)nc1 69391823 HKYKHMLWDPTDRZ-AWEZNQCLSA-N 342.428 1.698 0 40 EDAB CC(C)(CNC(=O)NCCc1ccn(-c2ccccc2)n1)C(N)=O 69739440 LRRXCPBALDEJCN-UHFFFAOYSA-N 329.404 1.226 0 40 EDAB CNS(=O)(=O)CCCS(=O)(=O)Cc1ccc(F)cc1Cl 69780602 BJGANCZVNLDMOF-UHFFFAOYSA-N 343.829 1.333 0 40 EDAB C[C@H]1CN(C[C@H](O)C(F)(F)F)C[C@@H](C)N1C[C@H](O)C(F)(F)F 191136658 YNALHFYPTNBIKU-JXUBOQSCSA-N 338.292 1.227 0 40 EDAB COCC(=O)N1CCc2c(NC(=O)C3(C(=O)O)CC=CC3)cccc21 1593953245 QUNBJKSFYSTGGT-UHFFFAOYSA-N 344.367 1.582 0 40 EDAB COCCN1C(=O)C[C@H]2[C@H]1CCN2S(=O)(=O)c1cccc(C)c1 96183856 CZHJANJKASYYOQ-CABCVRRESA-N 338.429 1.005 0 40 EDAB Cc1nc(Cn2cc(I)cc(C)c2=O)no1 95441021 QJKNVUSYGBDNME-UHFFFAOYSA-N 331.113 1.501 0 40 EDAB COCCNC(=O)[C@H]1CCC2(CCN(Cc3cc(C)on3)CC2)O1 96109930 IDHUBTZUFRUVHD-OAHLLOKOSA-N 337.420 1.259 0 40 EDAB COc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nnn1Cc1ccccc1 96183490 ZSAOELYBXCKVNG-BETUJISGSA-N 330.388 1.584 0 40 EDAB CO[C@H]1C[C@H](N(C)C(=O)NCc2nc3ncccn3n2)C12CCC2 579686367 VCTVEOXKOXGMNZ-RYUDHWBXSA-N 330.392 1.223 0 40 EDAB CN1C(=O)C[C@@H](Nc2ncnc3ccc(F)cc23)[C@@H]1c1ccnn1C 583617831 XDMBTHDLUQAGTE-CZUORRHYSA-N 340.362 1.886 0 40 EDAB CC[S@](=O)CCS(=O)(=O)c1ccc(Br)cc1 95453971 NUXNLDYPBRWMOB-OAHLLOKOSA-N 325.249 1.991 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(Cc1ccoc1)CC2 96199838 DEWJMHPUPLNMOE-MRXNPFEDSA-N 328.416 1.994 0 40 EDAB c1cnc(OCc2nnc3n2CCN(Cc2ccoc2)CC3)nc1 96084580 ZFSIJBQBYFLIGT-UHFFFAOYSA-N 326.360 1.298 0 40 EDAB Cc1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)cn1 96185811 ZJFSVBSRQIUMBG-YESZJQIVSA-N 331.416 1.094 0 40 EDAB O=C(c1c[nH]cn1)N1CC[C@H]2OCCN(Cc3cccnc3)[C@@H]2CC1 96082237 RSDPIUUIQZQOPX-IAGOWNOFSA-N 341.415 1.310 0 40 EDAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cnoc3C)C2)o1 96108485 KGJCMLGSABGODH-KDOFPFPSSA-N 345.399 1.763 0 40 EDAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2C[C@@H]3CN4CCCC[C@H]4[C@H]3C2)C1 96420585 FTBSGHCCYDCLDL-OWSLCNJRSA-N 345.487 1.578 0 40 EDAB Cc1csc(CN2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)n1 96108707 MDYDJEBKZIOBLB-CJNGLKHVSA-N 339.461 1.005 0 40 EDAB COC[C@H]1CN(C(=O)c2ccnnc2)Cc2c1cnn2CC1CC1 247909291 XVKMHKJXVPZMLN-CQSZACIVSA-N 327.388 1.469 0 40 EDAB Cn1cc(CN2CC3(C[C@@H](OCc4ccncc4)CCO3)C2)cn1 248104694 FPBNQKFYKNBANI-KRWDZBQOSA-N 328.416 1.765 0 40 EDAB Cc1ncoc1C(=O)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 248031178 LUKWUQIRRQRKFV-CYBMUJFWSA-N 343.387 1.506 0 40 EDAB CC[C@@H](OC)C(=O)N[C@@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 584907870 WNIVNUIGNNQKGA-APWZRJJASA-N 348.443 1.735 0 40 EDAB O=S(=O)(NCCNc1ccc(-n2cccc2)nn1)c1ccccc1 85472081 KMGWSNRTDPLCBO-UHFFFAOYSA-N 343.412 1.658 0 40 EDAB CCCn1nccc1-c1cncc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257256135 KKFSNAMTNCBQIB-ZDUSSCGKSA-N 349.460 1.889 0 40 EDAB Cn1cncc1CC(=O)N1CCC[C@H](O)[C@H]1CCc1ccccc1 585125818 GRAVACNCCIETQH-MSOLQXFVSA-N 327.428 1.947 0 40 EDAB Cc1cc(CNC(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)no1 585121884 DWXJFRDTVPKHKX-GXTWGEPZSA-N 344.289 1.410 0 40 EDAB CN(C(=O)c1ccc(=O)n(C)c1)[C@H]1CCCN(c2ccccn2)C1 257318065 VMIQJRDLTBFSIP-HNNXBMFYSA-N 326.400 1.521 0 40 EDAB Cc1cncc(C(=O)N2CCOC[C@@H](Cc3cc(C)ncn3)C2)c1 257219665 DHPSGIDPHVCUIE-HNNXBMFYSA-N 326.400 1.820 0 40 EDAB CNC(=O)[C@]1(CCCc2cnccn2)CCN1Cc1coc(C)n1 257296255 RBXRESRFYVBQIT-KRWDZBQOSA-N 329.404 1.486 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)Cn2c(=O)oc3ccccc32)c1 70039729 VFYZXIJXCPMRMU-AWEZNQCLSA-N 340.383 1.791 0 40 EDAB CCCn1ccc(C(=O)NCc2cnc([C@H]3CCN(C(C)=O)C3)[nH]2)n1 257214216 CLCQSGHWWCBEHM-ZDUSSCGKSA-N 344.419 1.282 0 40 EDAB NC(=O)CN1CCCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 257268116 MKHLTWRVUVRZGF-AWEZNQCLSA-N 329.379 1.877 0 40 EDAB Cc1nccn1CC(=O)N1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 257334886 YHUCFKRKRPARGY-WMZOPIPTSA-N 347.390 1.762 0 40 EDAB CN(C(=O)CN1CCCCC1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257326616 WXXDGGQMKWPNAM-JFIYKMOQSA-N 333.432 1.297 0 40 EDAB Cc1cc(C)nc([C@@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1 257333899 YDPHMMVRWJGGPG-CYBMUJFWSA-N 349.394 1.960 0 40 EDAB Cc1nccc([C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1 257283840 PACANRHPVVQXAK-QGZVFWFLSA-N 347.440 1.762 0 40 EDAB C[C@@H]1COCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)O)cc1F 285681391 ZZIVDLRIWAEEIG-MWLCHTKSSA-N 331.365 1.475 0 40 EDAB COc1ccc(C2(NC(=O)c3cc(O)n(C)n3)CCOCC2)cc1F 1615558135 NZBCVXYZKOZXPJ-UHFFFAOYSA-N 349.362 1.709 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)c1cnn(C)c1 1615589707 GVDJUDSMMUAXJW-QRTARXTBSA-N 327.432 1.728 0 40 EDAB CC(C)NC(=O)CN[C@@H]1CCO[C@@]12CCN(C(=O)OC(C)(C)C)C2 1616036053 MBXCGHACBSARRS-CXAGYDPISA-N 341.452 1.269 0 40 EDAB O=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1ccccn1 96121800 DKQYIXAMUFHUDC-UHFFFAOYSA-N 340.305 1.800 0 40 EDAB CC1CCC2(CC1)OC[C@H](CNC(=O)NCCCC(=O)N(C)C)O2 390833101 CDKXTUUMOYAQHS-UUCFBXCCSA-N 341.452 1.476 0 40 EDAB Cc1noc(C)c1CC(=O)NCc1cccnc1-c1cnn(C)c1 575608386 NHCLYCNWLKFXSQ-UHFFFAOYSA-N 325.372 1.946 0 40 EDAB O=C1N(c2ncccn2)C[C@@]12CCCN(Cc1cnc(Cl)cn1)C2 585099389 HVHBEPBNKIGTBF-INIZCTEOSA-N 344.806 1.549 0 40 EDAB Cc1noc(CCC(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)n1 585279066 SGWXTHPMJOIGFT-GOSISDBHSA-N 345.399 1.143 0 40 EDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccc(Cl)cc1 585295189 PBJMQDRYASDCEL-ZSYWTGECSA-N 347.842 1.850 0 40 EDAB Cc1noc(-c2ccc(C(=O)NCCN3C(=O)CSC3=O)cc2)n1 44972616 HIXAJQJVVWYSHE-UHFFFAOYSA-N 346.368 1.470 0 40 EDAB CCCS(=O)(=O)CC(=O)N[C@H](c1ccccc1)c1nccn1C 55187806 XDZVPEVLPOJGHF-OAHLLOKOSA-N 335.429 1.451 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)NCC2(OCCO)CCCC2)cc1 888107118 NRJSDONACZVKAC-UHFFFAOYSA-N 341.429 1.489 0 40 EDAB O=C(N[C@@H]1C[C@@]2(CCNC2)Oc2ccccc21)c1ccnc(O)c1 1615552407 DPNAEOSDSGWBSK-RDTXWAMCSA-N 325.368 1.773 0 40 EDAB O=C(NCCNS(=O)(=O)C1(Cl)CC1)c1ccc(Cl)cc1 1615605459 VZORDDXIZMHIPD-UHFFFAOYSA-N 337.228 1.718 0 40 EDAB O=C(c1cncc(O)c1)N1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 1615085814 DOSBKVSOILMRRA-DYVFJYSZSA-N 330.359 1.992 0 40 EDAB C/C(N[C](CCc1ccccc1)C(=O)O)=C(\O)[N+]1=C(C(=O)O)CCC1 1560406761 XOHMJPTXHWPKBD-FOWTUZBSSA-O 346.383 1.904 0 40 EDAB Cc1ncc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)n1C 12120737 TVLYHXIGOASHGD-UHFFFAOYSA-N 336.399 1.432 0 40 EDAB COC(=O)Cc1c(C(=O)OC)nnc2c(-c3ccccc3)c(C)nn12 13639271 FWILSEMKZLLJFE-UHFFFAOYSA-N 340.339 1.602 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cc(C)ccc2C)NC(=S)N1 13684148 BCRJHLLWQLYENG-INIZCTEOSA-N 345.468 1.955 0 40 EDAB Cn1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)n1 19290899 YPHQAJUDMKEPHN-UHFFFAOYSA-N 340.383 1.217 0 40 EDAB O=c1[nH]c(-c2cnccn2)nc2c1CCN(Cc1cccc(F)c1)C2 19293907 MWEVKJABFVHLRC-UHFFFAOYSA-N 337.358 1.924 0 40 EDAB CC(=O)N1CCC[C@H]1c1nc(CN(C)C(=O)C(C)C)cc(N(C)C)n1 19759921 HVSBMZBDMCDFMM-HNNXBMFYSA-N 347.463 1.840 0 40 EDAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(CC(C)=O)c(=O)n(C)c3nc12 8704305 HHZRTWOVCHRYGM-VIFPVBQESA-N 345.403 1.326 0 40 EDAB COCCN1CCC(N2CCN(c3ccccc3OC)CC2)CC1 252501321 UEBGEVDXCBXWOS-UHFFFAOYSA-N 333.476 1.928 0 40 EDAB O=S(=O)(CCC(F)(F)F)NCC1CCN([C@@H]2CCOC2)CC1 575615804 IHVWCSMEFZDSNO-GFCCVEGCSA-N 344.399 1.359 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)[C@@H]2CCOC2)C3)nc1 1888859585 ZUBCVXGSPROUGJ-IIDMSEBBSA-N 331.416 1.829 0 40 EDAB CC(C)c1noc(CN2CCN(c3nc(O)cc(C4CC4)n3)CC2)n1 1888864036 XQRBIZURBXVDQX-UHFFFAOYSA-N 344.419 1.888 0 40 EDAB Oc1ccc(N2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)cc1 23624651 XDGCXLFDHUKUGF-QZTJIDSGSA-N 336.432 1.071 0 40 EDAB COc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 24095529 SRXBLSQGWFGQJX-KCXAZCMYSA-N 331.368 1.386 0 40 EDAB Cc1cc(CN(C)C(=O)c2cccc(N3CCCS3(=O)=O)c2)no1 25138057 ALLOOARDWIVGRX-UHFFFAOYSA-N 349.412 1.795 0 40 EDAB COc1nccn2c(CNC(=O)c3ccc(-n4cccc4)cc3)nnc12 238830913 FWJFRGOCMBSDKZ-UHFFFAOYSA-N 348.366 1.854 0 40 EDAB CC(=O)N1CCC(N2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)CC1 2037846656 VJNUEOQZCCZQKG-BPQIPLTHSA-N 343.475 1.634 0 40 EDAB CC[C@H](C)n1c(C)cn2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 10233549 BZVQKOIZFRCDSQ-GXSJLCMTSA-N 345.403 1.579 0 40 EDAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)nn1C 11027708 ZLEVLEAWJLTCKL-UHFFFAOYSA-N 333.417 1.129 0 40 EDAB CCN1C[C@@]2(COCCN(C(=O)c3cc(C)cs3)C2)OCC1=O 2055781548 NGPUEQPVFHGIKO-MRXNPFEDSA-N 338.429 1.146 0 40 EDAB O=C(Cn1ccn(-c2cccc(F)c2)c(=O)c1=O)NCc1ccco1 22723711 PHLQHIAHGAJTSG-UHFFFAOYSA-N 343.314 1.048 0 40 EDAB CC(C)CNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 23127543 CMQAPYOMBRWYDE-UHFFFAOYSA-N 337.489 1.849 0 40 EDAB Fc1cccnc1N1C[C@H]2CN(c3ncnc4[nH]cnc34)C[C@@H]2C1 2086868943 FWFXQGHYMPYBEE-QWRGUYRKSA-N 325.351 1.460 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1 211110696 LTJCBNYEDVTBGP-UHFFFAOYSA-N 347.396 1.271 0 40 EDAB CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2n[nH]c(=O)c-2c1 44213500 AYWXBJIICACTOC-UHFFFAOYSA-N 340.339 1.355 0 40 EDAB CCOC(=O)c1c(S(=O)(=O)Nc2ccc(OC)cc2)n[nH]c1C 47417506 LHRPKZUBCCQRQW-UHFFFAOYSA-N 339.373 1.704 0 40 EDAB O=C(CN1CCN(c2ccccc2F)C1=O)NCc1ccncc1 49381358 AECLOKWNANGNAI-UHFFFAOYSA-N 328.347 1.779 0 40 EDAB COc1nc(CNC(=O)c2cc3ccccn3c2)nc(N(C)C)n1 575608789 YJCJAYZWGFMSCR-UHFFFAOYSA-N 326.360 1.129 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCn1cc(-c2ccco2)cn1 575616145 WWUKVJHUVHKLLO-UHFFFAOYSA-N 336.373 1.726 0 40 EDAB O=C1CCC(=O)N1CCOCCNC(=O)C1(c2ccc(F)cc2)CC1 575620880 WAZGOEPXNLIAOW-UHFFFAOYSA-N 348.374 1.139 0 40 EDAB CSc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H](C)O)C3)cc1 12347151 WKPQIUYPSGJBME-XPTSAGLGSA-N 333.413 1.240 0 40 EDAB CC(=O)c1ccc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)c(F)c1 40467940 YMCKZXXJOSVECS-NSHDSACASA-N 345.417 1.424 0 40 EDAB Cc1ccc([C@H](CNC(=O)Cc2c(C)noc2C)N2CCOCC2)o1 40489090 OAUWKOHQRMCBPZ-INIZCTEOSA-N 347.415 1.925 0 40 EDAB CCN(Cc1ccoc1)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100688896 RAXIGZKYILDEOV-SDADXPQNSA-N 328.368 1.435 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)NCc1nnc2n1CCCCC2 40523825 ZYJFVBHMWGQUIS-UHFFFAOYSA-N 338.408 1.931 0 40 EDAB COC[C@@H](C)N(C)C(=O)CCn1cnc2sc(C)c(C)c2c1=O 40553973 UZNKZIVGWGDWIN-SNVBAGLBSA-N 337.445 1.958 0 40 EDAB COc1ccc2[nH]c(C(=O)NCCCN3CCOCC3)c(C)c2c1 20547593 JECORNQOOWGRNB-UHFFFAOYSA-N 331.416 1.937 0 40 EDAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(C)CC1 20827298 PLJREXRTZTWKGM-UHFFFAOYSA-N 330.388 1.140 0 40 EDAB C[C@@H]1C[C@@H]1CNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F 32390706 YOVWIASKPMVYRN-HTQZYQBOSA-N 341.293 1.360 0 40 EDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 382672 BCBJZCOPAMTHRP-DMDPSCGWSA-N 334.397 1.136 0 40 EDAB Cn1cc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cn1 32788418 AQQRRRQLELTVLV-UHFFFAOYSA-N 326.400 1.976 0 40 EDAB O=C(Nc1nnc(C2CCCCC2)s1)[C@@H]1CCS(=O)(=O)C1 32837350 DKOHWSIQZFONBP-SNVBAGLBSA-N 329.447 1.959 0 40 EDAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCCNc1ncccn1 103235683 DMAZQPHYYFRFIO-JDPPGYRCSA-N 330.432 1.726 0 40 EDAB CCN(C[C@H]1CCCO1)C(=O)c1ccc(OCC(N)=O)c(OC)c1 53436710 XQZKBWPRXIWIJZ-CYBMUJFWSA-N 336.388 1.200 0 40 EDAB CC(C)Cn1[nH]cc/c1=N\C(=O)CN1CCO[C@H](c2nccs2)C1 104185540 INSKOAPUPKIRDN-AZDDOORDSA-N 349.460 1.430 0 40 EDAB CC[C@H](CNC(=O)c1cccc(S(=O)(=O)NC)c1)N1CCCC1 42499499 OEBKGXLTFABSIE-CQSZACIVSA-N 339.461 1.199 0 40 EDAB Cc1ccc(N2C(=O)CN(CC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 54278100 HWAFDXJSCHKPHA-JKSUJKDBSA-N 336.457 1.465 0 40 EDAB OCCN1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 23230639 TYSDMKWEXSCWSG-UHFFFAOYSA-N 331.388 1.595 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1cnc3c(cnn3CC(C)C)c1)C2 69869975 KLBQFXUVQDAYMR-UHFFFAOYSA-N 339.403 1.643 0 40 EDAB O=[S@@](CCN1CCN(CCN2CCCC2)CC1)c1ccccc1 69848712 XXLPGRAYZGDXNX-HSZRJFAPSA-N 335.517 1.508 0 40 EDAB COC(=O)CCNC(=O)c1cc(=O)c(OCc2ccccc2F)co1 40285828 AROHCGVLEUNFIN-UHFFFAOYSA-N 349.314 1.651 0 40 EDAB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc(NC3CC3)nc2)C1 50728114 PIGFCHGYXRVNBQ-ZDUSSCGKSA-N 328.416 1.787 0 40 EDAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1cccc(F)c1 3508341 IPKPLQWZXNJUOE-UHFFFAOYSA-N 330.315 1.737 0 40 EDAB CN(C)c1cc(CNC(=O)Cn2cnc3ccccc3c2=O)ccn1 40512590 CKRQLVKOYLHOMW-UHFFFAOYSA-N 337.383 1.174 0 40 EDAB Cc1ccc(S(=O)(=O)NC(=O)[C@H](C)OC[C@H]2CCCCO2)s1 69343331 UBFQOWDICQYKFR-NWDGAFQWSA-N 347.458 1.836 0 40 EDAB c1cncc(-c2noc(CN3CCO[C@@H](Cn4cccn4)C3)n2)c1 69392469 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EDAB O=C(NC[C@H]1CCOC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 47067347 VZWDAGCKKSSWRC-CYBMUJFWSA-N 344.415 1.713 0 40 EDAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 68063616 STDPFTYNSVUHQM-GUYCJALGSA-N 344.440 1.975 0 40 EDAB CC(C)(C)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 47339935 QGBZZHPXDAOPDN-UHFFFAOYSA-N 339.480 1.110 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(C)o2)n(C)c1 23306962 WPYSQYXMLWTSHJ-SNVBAGLBSA-N 325.390 1.326 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1 55037089 BMMJDZCXEDEXJI-SCZZXKLOSA-N 343.836 1.925 0 40 EDAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN1CCN(CCO)CC1 20026385 ZZLBEVSEZMEJBB-GOSISDBHSA-N 345.487 1.537 0 40 EDAB COc1ccc([C@@H](O)CNc2cc(N3CCC[C@H]3CO)ncn2)cc1 106905899 UISKMZJVVJGRCV-HOCLYGCPSA-N 344.415 1.592 0 40 EDAB O=C(CN1CCc2sccc2C1)N1CCN([C@@H]2CCC[C@H]2O)CC1 106909798 WTQVHJDKMXSHII-HZPDHXFCSA-N 349.500 1.164 0 40 EDAB CCOC(=O)N1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1 25368110 GUCBYGZDRCFPJP-UHFFFAOYSA-N 344.408 1.866 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN(CC(=O)N[C@H](C)c3ccco3)C2)no1 107056291 GBYZYIANMXKRTL-OCCSQVGLSA-N 347.419 1.355 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCC[C@H](CO)C2)cc1 35284095 TTZGLDREQVDUHV-CVEARBPZSA-N 347.459 1.485 0 40 EDAB C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1cccc(Cl)c1 47892923 YIIIUAMRQZKTAI-NSHDSACASA-N 347.868 1.982 0 40 EDAB O=C(COC(=O)COc1ccc(Br)cc1)NC1CC1 3296786 CGVMIPCPYFLEID-UHFFFAOYSA-N 328.162 1.650 0 40 EDAB C[C@H]1CN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C[C@H](C)O1 12683090 QVYYKHZCBBVLNQ-RYUDHWBXSA-N 349.387 1.215 0 40 EDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2sccc2Br)C1 62132799 NUGCCUPKZQPLBY-LURJTMIESA-N 340.220 1.606 0 40 EDAB CCCc1nnc(NC(=O)Cn2ncc(=O)c3ccccc32)s1 44872535 JNMFXMHYTAOFRV-UHFFFAOYSA-N 329.385 1.839 0 40 EDAB COc1ccccc1CNC(=O)Cn1c(-c2ccccn2)noc1=O 58293091 ATYUPBXULUKCIU-UHFFFAOYSA-N 340.339 1.223 0 40 EDAB CN(C)c1ncccc1CNC(=O)NCCc1ccc2c(c1)OCO2 44951990 JYTMPFCRVXBULN-UHFFFAOYSA-N 342.399 1.918 0 40 EDAB COc1ncccc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 44943700 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EDAB CNC(=O)c1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1 14101376 SLZDSPPDNBTNIC-UHFFFAOYSA-N 336.438 1.855 0 40 EDAB O=C(NCCc1nccn1C(F)F)C(=O)Nc1cc(F)cc(F)c1 65621581 INYRWTMJRYOZKQ-UHFFFAOYSA-N 344.268 1.854 0 40 EDAB O=C(CSc1nc(Cc2cccs2)n[nH]1)NC[C@H]1CCCO1 65604974 IQCAIGUUJFEHGV-SNVBAGLBSA-N 338.458 1.844 0 40 EDAB C[C@@H]1CN(CC[S@@](=O)c2ccccc2)CCN1Cc1nccn1C 69535647 MAWRFHTZKJOTJP-GYCJOSAFSA-N 346.500 1.734 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)N[C@H]1CCCc2ccccc21 69596018 YANDRGPLCZTBFP-AEFFLSMTSA-N 339.443 1.936 0 40 EDAB CCNC(=O)NC(=O)CNc1cc(F)ccc1OC[C@@H]1CCCO1 69570240 PDBVGSUHODPURT-LBPRGKRZSA-N 339.367 1.641 0 40 EDAB NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1 5602077 DODDYOMZXUPUDQ-UHFFFAOYSA-N 348.352 1.413 0 40 EDAB CCS(=O)(=O)NCCNC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl 69619299 DGEBCQIFTUTSFP-DGCLKSJQSA-N 345.852 1.434 0 40 EDAB COc1ccc(CNC(=O)CN2CCC[C@H](Cn3cncn3)C2)cc1 69630582 MLLNNHPXUOQDJW-INIZCTEOSA-N 343.431 1.315 0 40 EDAB CCN(CC)[C@H](C(=O)OCc1nc(N)nc(N)n1)c1ccccc1 69737568 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CCOc1nnc(CN[C@H]2CCCN(c3ccc(C)nn3)C2)s1 71859791 FYWCTCRLHWXBMN-LBPRGKRZSA-N 334.449 1.794 0 40 EDAB CN(C[C@H]1CCCN1c1cccnn1)[C@H](C(N)=O)c1ccc(F)cc1 71860009 AZRXWADXANYYSM-WBVHZDCISA-N 343.406 1.743 0 40 EDAB C[C@@H](C(=O)NC1CCCCC1)[S@](=O)Cc1nnnn1C1CC1 71859162 FMHMHNVDCWHACM-MGUXCZDKSA-N 325.438 1.094 0 40 EDAB c1ccc(-c2noc(CN[C@@H]3CCCN(c4cccnn4)C3)n2)nc1 71877460 XPHZKTHZZCYXDG-CYBMUJFWSA-N 337.387 1.680 0 40 EDAB C[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H](c2ccccc2)O1 71828237 KANYUTAYZANZMO-CZUORRHYSA-N 329.400 1.046 0 40 EDAB CCn1cc(NC(=O)C2CCN(C(=O)C[C@@H]3CCCO3)CC2)cn1 75126886 MUPNDPGDZAJURP-HNNXBMFYSA-N 334.420 1.649 0 40 EDAB CC(C)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)N1CCCC1 89791382 GMYWEJICZRQGFL-HNNXBMFYSA-N 331.416 1.868 0 40 EDAB Cc1cc(CN2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)on1 84124224 IWDRHPLDGYXIHK-AWEZNQCLSA-N 330.436 1.695 0 40 EDAB CCC(=O)Nc1cccc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1 72290322 CAQNXFIWHIWCDH-RYUDHWBXSA-N 338.429 1.683 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)C[S@](=O)c2ccc(F)c(F)c2)C1 89954628 MXVZBNNEZAOBMC-QVQLBTGDSA-N 344.383 1.200 0 40 EDAB C[C@H](CCO)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 84637342 CYQXMSCZIJQPPR-HTQZYQBOSA-N 349.250 1.516 0 40 EDAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C(N)=O)c1ccc(F)cc1 76056452 ANVGTZNQWJCNRU-RLCCDNCMSA-N 333.407 1.589 0 40 EDAB C[C@H](C(=O)N1CCCN(CC(N)=O)CC1)c1ccc(Cl)s1 95408463 SRUKGHGRGHBTBO-JTQLQIEISA-N 329.853 1.525 0 40 EDAB Cc1nc(CCSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cs1 95453257 KLOINGOGZNJWPB-UHFFFAOYSA-N 337.430 1.060 0 40 EDAB O=C(NCCCn1ccnc1)N1CCC([C@H](O)C(F)(F)F)CC1 95419120 QHEROVILVLVFTP-LBPRGKRZSA-N 334.342 1.618 0 40 EDAB Cc1ccc(Br)c(S(=O)(=O)N2CC[C@H](CO)C2)c1 95461872 AIUHALJQXJKLEH-JTQLQIEISA-N 334.235 1.760 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)NCc2nnc3ccccn23)C12CCC2 73501229 VIIPEWIKFXLYNA-CHWSQXEVSA-N 329.404 1.876 0 40 EDAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@@H]1C2 306130743 JOHILYODECFVKI-NWDGAFQWSA-N 327.388 1.068 0 40 EDAB NC(=O)COC(=O)c1coc(-c2ccc(Br)cc2F)n1 95995269 LBZFCQUAHLXBGQ-UHFFFAOYSA-N 343.108 1.885 0 40 EDAB CC(C)[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)n1nnc(-c2ccccc2)n1 95976841 HEPGWQIVIQQQFI-IMJJTQAJSA-N 341.415 1.590 0 40 EDAB O=C(c1ccc(=O)[nH]n1)N1CCc2cc(Br)sc2C1 95977132 DKBVCGHVYAPTIM-UHFFFAOYSA-N 340.202 1.792 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N1CCN([C@@H]3CCOC3)CC1)C2 79103390 ISWIKBDJWKJEER-HZPDHXFCSA-N 346.427 1.179 0 40 EDAB O=C1C(=O)N(CN2CCN(C(=O)c3ccco3)CC2)c2ccccc21 22863182 MSMQVNMTDNYXAO-UHFFFAOYSA-N 339.351 1.224 0 40 EDAB Cc1ccc(C(=O)N2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)nc1 306138346 RVHPXKCKVXQELN-ZMSDIMECSA-N 338.411 1.984 0 40 EDAB O=C(O)[C@@H]1COCCN1C(=O)c1csc(-c2ccc(F)cc2)n1 521363664 NANMQJUWNKJUMF-LBPRGKRZSA-N 336.344 1.875 0 40 EDAB CCOC[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc2c(c1)OCO2 218146216 RGFUOFHQFTZYBK-JYJNAYRXSA-N 341.429 1.297 0 40 EDAB Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCCc1ccccn1 528350236 MCGOBTPWJZXPFN-UHFFFAOYSA-N 348.350 1.745 0 40 EDAB Cc1cccc(CC(=O)Oc2cccc(C(=O)NCC(N)=O)c2)c1 78755454 DDPJJJTZAKWQCF-UHFFFAOYSA-N 326.352 1.358 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218050315 CMBXNNHKDHTMJE-XYJFISCASA-N 346.404 1.998 0 40 EDAB O=C(NS(=O)(=O)c1cnccn1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 152484593 QHCRDKMMDFENHM-VXGBXAGGSA-N 337.788 1.739 0 40 EDAB CC(=O)N1CCN(c2cc([C@H]3CN(C(C)C)CCO3)nc(C)n2)CC1 72387158 BMTXIVLQFOJMQS-QGZVFWFLSA-N 347.463 1.235 0 40 EDAB C[C@H](Cc1c(F)cccc1F)NC(=O)NC[C@H](O)C1CCOCC1 76952495 YFRVARFQPLLSRG-BZNIZROVSA-N 342.386 1.983 0 40 EDAB C[C@@H](CN1CCN(C)CC1)NC(=O)N(C)CC1(c2ccccc2)CC1 188586511 LZLXAIBPLMZDTR-KRWDZBQOSA-N 344.503 1.996 0 40 EDAB COC(=O)C[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(Cl)cc1 44868475 NVDADRKIEZLSOV-CYBMUJFWSA-N 349.774 1.468 0 40 EDAB COc1ccc(CNC(=O)NCc2c3c(nn2C)CCC3)cc1OC 225818749 MZHHCGNCOORNDM-UHFFFAOYSA-N 344.415 1.925 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 223180518 GENIVCBOPUDDEN-SNVBAGLBSA-N 340.401 1.425 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)ccc1C 223342927 HANMEDYQLMUEQH-HUUCEWRRSA-N 341.429 1.706 0 40 EDAB O=C1CC[C@H](NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)CN1 195567334 ZBHXOWHDFSRWSG-LBPRGKRZSA-N 333.388 1.887 0 40 EDAB O=C(Cc1ccccn1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 96188562 KNQWFFNVHRXJFV-HNNXBMFYSA-N 336.399 1.376 0 40 EDAB O=c1c(F)cn([C@H]2CCCO2)c(=O)n1C[C@@H](O)CCc1ccccc1 195562195 RQSHVIQSXBZLFW-GOEBONIOSA-N 348.374 1.452 0 40 EDAB CCOCC(=O)N1Cc2ccnn2C[C@@H](COc2cccnc2)C1 96189143 PDWBIHSSXYLSFX-AWEZNQCLSA-N 330.388 1.352 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]2O1)N1CCOCC1 96218727 SVGQEOKAKGDABL-GBESFXJTSA-N 344.455 1.567 0 40 EDAB Cn1cc(N[C@@H]2COC3(CCN(Cc4ccn(C)n4)CC3)C2)cn1 96074210 CXYVGGQHJXHZEX-HNNXBMFYSA-N 330.436 1.389 0 40 EDAB Cc1ccc(CN2CCC3(CC2)C(=O)N(CCO)CCN3C)s1 96230096 WNDRTDZFPFNKNN-UHFFFAOYSA-N 337.489 1.157 0 40 EDAB CC(=O)NC[C@H]1CN(Cc2c(Cl)cccc2C(=O)O)CCO1 577856786 HLTSPDPRNWZASK-NSHDSACASA-N 326.780 1.375 0 40 EDAB Cn1cccc1C(=O)NC[C@]12COC[C@H]1CN(Cc1cccnc1)C2 96209385 WXPFVBCWNSXHTN-APWZRJJASA-N 340.427 1.299 0 40 EDAB O=C(NC1CC1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96224422 WFKLXFHGOOJMBX-SFHVURJKSA-N 328.416 1.768 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCc1ccc3c(c1)OCO3)C2 97198817 IPDPYRILEIWUCS-AWEZNQCLSA-N 327.384 1.984 0 40 EDAB CNC(=O)CO[C@@H]1CO[C@]2(CCCN(C(=O)c3ccc(C)cc3)C2)C1 96222301 OIFLITGWCBXTQX-QFBILLFUSA-N 346.427 1.521 0 40 EDAB COc1ncccc1C(=O)N1C[C@@H]2C[C@H](Cc3nnc(C)o3)O[C@@H]2C1 96215007 DDFCYGAIFLZWDE-OUCADQQQSA-N 344.371 1.254 0 40 EDAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccccn3)CC[C@@H]12)N1CCCCO1 96206595 IDOGBJMUEXVALD-NXHRZFHOSA-N 345.443 1.863 0 40 EDAB Cn1cc(CN2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)cn1 96042232 AMLVMHIYDOMIGA-OKZBNKHCSA-N 328.416 1.764 0 40 EDAB Cc1nc2ccccn2c1CSc1nnc(Cn2cncn2)o1 96455697 KGEGMPHYMCTYLM-UHFFFAOYSA-N 327.373 1.958 0 40 EDAB CC(C)c1nnc([C@@H]2C[C@H]3CN(S(=O)(=O)C4CC4)C[C@H]3O2)o1 96045817 CXMFIWFPTGKZAX-ZMLRMANQSA-N 327.406 1.447 0 40 EDAB CCS(=O)(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccncc1 96058009 SOKFMCDLDLPQSH-RRFJBIMHSA-N 326.418 1.180 0 40 EDAB CN(C)CC(=O)N1CC[C@H]2OCC[C@@]2(COCc2cccnc2)C1 96110399 TUUCBMPXWRIYHR-AEFFLSMTSA-N 333.432 1.167 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Cn2cccn2)cc1 583616135 MWBMSCIYWCYOFX-SJLPKXTDSA-N 329.400 1.790 0 40 EDAB CN1CC[C@H]2CCN(S(=O)(=O)c3cccc4nsnc34)[C@H]2C1 248667690 QDZCXGOCKXVRQL-JQWIXIFHSA-N 338.458 1.406 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(OC)cc2)[C@]1(COC)C(=O)O 242495404 GDXYXEFNQZLUFE-GUTXKFCHSA-N 328.386 1.313 0 40 EDAB COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@H](C)C(=O)O 530137893 RNMBRVAJVHEJRN-ZCFIWIBFSA-N 343.279 1.345 0 40 EDAB CC[C@]1(C(=O)OC)N[C@H](c2cccc(F)c2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230152 MNQANYLTQZFWNZ-ZHRONYKTSA-N 334.347 1.023 0 40 EDAB Cc1ccn(CCC(=O)NCc2cnc(C)nc2[C@@H]2CCCN2C)n1 257220994 DNCYQRGXJVTNND-INIZCTEOSA-N 342.447 1.763 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2CC(=O)N2CCCCC2)n1 257247488 IZGDRWRIBWYNNB-AWEZNQCLSA-N 333.436 1.213 0 40 EDAB Cn1nccc1-c1cncc(C[C@H]2CCCN(S(C)(=O)=O)C2)n1 257212485 CDRDGQFOAXTQNI-GFCCVEGCSA-N 335.433 1.091 0 40 EDAB Cc1ncccc1C(=O)N[C@@H]1C[C@H]2Oc3ccccc3N[C@H]2[C@@H]1O 257217199 CXZKMSSCXYVIMA-MWQQHZPXSA-N 325.368 1.495 0 40 EDAB CCn1cc(C(=O)N2CC[C@H](O)[C@@H](NC(C)=O)CC2)c2ccccc21 257296402 RCQUTEFZCCFCOK-WMZOPIPTSA-N 343.427 1.763 0 40 EDAB COc1cccc(S(=O)(=O)N2C[C@H](OC)[C@]3(CCCO3)C2)c1 257343144 ZRQXVGFFLVSZDD-GJZGRUSLSA-N 327.402 1.264 0 40 EDAB CNC(=O)c1cn[nH]c1[C@H]1CCN(Cc2cnc(C(C)C)nc2)C1 257299445 RQCOBCVEHNZYST-ZDUSSCGKSA-N 328.420 1.672 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCO[C@H](c2ccncc2)C1 257284793 PEINKTAXTXHXMN-INIZCTEOSA-N 339.351 1.590 0 40 EDAB O=C(c1cccc(Cl)c1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257232387 GKRKQGFKSMGIIL-HOTGVXAUSA-N 338.835 1.638 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCO1 257286050 PJZKTJMNNXPCPH-ZDUSSCGKSA-N 328.328 1.001 0 40 EDAB C[C@]1(O)CN(C(=O)C2CCOCC2)CC[C@@H]1Oc1cccc(F)c1 257215001 COGDIPSPWJSXGM-WMZOPIPTSA-N 337.391 1.983 0 40 EDAB Cc1ccnn1CCC(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257216065 CSYNIUCKIDDBCJ-JFIYKMOQSA-N 344.415 1.454 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)c1cncs1 257246552 IUQVRIZYYCXTKV-HNNXBMFYSA-N 333.417 1.037 0 40 EDAB COCCOCCN(C)CCC(=O)NC(C)(C)CCCN(C)C 585121357 NEDNLXBJJMNCSQ-UHFFFAOYSA-N 331.501 1.208 0 40 EDAB CCn1cc(S(=O)(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cn1 585115042 JYEGTUIZMSECCW-GJZGRUSLSA-N 346.456 1.660 0 40 EDAB Cc1nc(C)c(CC(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)s1 257318654 VOXAWGCQRAFMRL-CKEIUWERSA-N 337.489 1.796 0 40 EDAB COCC[C@@H](CN[C@@H](C)c1ncn(C)n1)NC(=O)OC(C)(C)C 585117559 LHEDRYBHRXUQFL-RYUDHWBXSA-N 327.429 1.396 0 40 EDAB CCOC(=O)[C@@]1(F)CN(CCO[C@@H]2CCCCO2)CC12COC2 585116063 GAEMKZDJMCNPAB-CJNGLKHVSA-N 331.384 1.133 0 40 EDAB CS(=O)(=O)CCC(=O)N1c2ccc(F)cc2NC(=O)C12CCC2 585125227 KUZFEGISDUANOK-UHFFFAOYSA-N 340.376 1.468 0 40 EDAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1cscn1 257310357 UETCVSOFBUIKOB-OAHLLOKOSA-N 331.401 1.153 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N1CCC(c2ccnc3ccnn23)CC1 257318502 VOFHXRYJTRFFQT-INIZCTEOSA-N 341.415 1.446 0 40 EDAB Cc1cc(C)c(N2CC[C@@H](N3CCN(CCO)[C@H](C)C3)C2=O)c(C)c1 252536817 JPZLPRDFSHRVDW-QZTJIDSGSA-N 345.487 1.716 0 40 EDAB C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1CC1CCOCC1 253592095 SWGNHOYDQKIKJD-AWEZNQCLSA-N 346.475 1.755 0 40 EDAB O=C(c1cnn2cccnc12)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257248550 JEDRYMUOVPFYSU-VHDGCEQUSA-N 349.398 1.482 0 40 EDAB CN(C[C@H]1CCOC1)c1cc(S(=O)(=O)NCC2CC2)ccn1 1615045767 AFRZNARTMBUOIE-CYBMUJFWSA-N 325.434 1.243 0 40 EDAB Cn1c(=O)oc2ccc(CNC(=O)N3C[C@H](N)C4(CCC4)C3)cc21 1615588512 BYAVEPBQJPRWSN-AWEZNQCLSA-N 330.388 1.154 0 40 EDAB COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)NCCc1csc(C(C)C)n1 1615586174 QUCHQMMXQAMQEE-QWRGUYRKSA-N 348.490 1.926 0 40 EDAB O=C(c1cccc(Cl)c1)N1CCC(N2C(=O)COCC2=O)CC1 575606851 FYXXZFKLGIZHTD-UHFFFAOYSA-N 336.775 1.330 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccnc1 575402395 CFKHSLCZMNNVTD-VNQPRFMTSA-N 343.427 1.475 0 40 EDAB CO[C@@H]1CN(CC(=O)Nc2nonc2C)CC[C@@H]1Cc1ccccc1 585280112 AKVIATQSTASNOK-HZPDHXFCSA-N 344.415 1.896 0 40 EDAB Cc1ncc(CN2CCOC[C@](O)(COc3ccccc3)C2)cn1 585269471 VRFXFJBLMBAFJV-SFHVURJKSA-N 329.400 1.427 0 40 EDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)NC2(c3ccccc3F)CC2)[C@@H]1O 585280430 IUNFVAQDCNOXFN-WQVCFCJDSA-N 334.391 1.549 0 40 EDAB CNC(=O)c1cccc(NC(=O)N[C@@H](C)C(=O)NCc2ccco2)c1 62378665 FBFLDEILQBBQHA-NSHDSACASA-N 344.371 1.466 0 40 EDAB Cc1ncc2c(n1)CN(CC(=O)N1CCO[C@H]3CCCC[C@@H]31)CC2 69490772 VDQQQOOHPVGZAC-IRXDYDNUSA-N 330.432 1.313 0 40 EDAB Cc1noc(CCNS(=O)(=O)N2CCC[C@@H]2c2ccco2)n1 84286707 OYXHQYGVLCDXOY-LLVKDONJSA-N 326.378 1.185 0 40 EDAB Cc1nc(CNS(=O)(=O)c2ccc(Br)cc2C)no1 133387072 LXTRDCJSKXUHQC-UHFFFAOYSA-N 346.206 1.927 0 40 EDAB CCc1nc(CN2C[C@H](c3ccc(F)cc3F)[C@@H](C(=O)O)C2)n[nH]1 1605850684 UWJGJTBIWFKDSS-NEPJUHHUSA-N 336.342 1.946 0 40 EDAB Cc1cc2c(N3CC(Nc4nc(C)nc(C)c4F)C3)nccn2n1 1615552395 UZKIVPSPSPCJMJ-UHFFFAOYSA-N 327.367 1.884 0 40 EDAB Nc1ccn2ncc(C(=O)N3CCOC[C@H]3C[C@@H]3CCOC3)c2c1 1615552905 FLVHTQAMFWMMSO-GXTWGEPZSA-N 330.388 1.184 0 40 EDAB CC(C)CN1C[C@@H](C(=O)N2CCC(c3ncccn3)CC2)CC1=O 1616038813 SUKGVXZWNYUFSD-HNNXBMFYSA-N 330.432 1.687 0 40 EDAB COCC(=O)N(C)Cc1nc(NC2CC2)ncc1-c1cc(C)no1 12337719 VIZDDLFBXBXTAG-UHFFFAOYSA-N 331.376 1.619 0 40 EDAB O=C1COc2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2N1 12820904 KFMMPJJSVRAEBW-HNNXBMFYSA-N 326.308 1.796 0 40 EDAB COc1cc(CN2Cc3c(N)nc(N)nc3C2=O)cc(OC)c1C 13285008 IKDZUXIBXXFWRT-UHFFFAOYSA-N 329.360 1.123 0 40 EDAB Cc1ccc(C(=O)NCCN(C)C)cc1S(=O)(=O)N1CCCC1 13672146 PVJHKMJDRAUJGS-UHFFFAOYSA-N 339.461 1.071 0 40 EDAB CC(=O)N(c1cc(=O)n2nc(C)cc2[nH]1)c1cc(C)nn1C(C)=O 16284072 AJIYMSAQECIILG-UHFFFAOYSA-N 328.332 1.181 0 40 EDAB Cn1nc(C(=O)Nc2ccccc2OCCn2cccn2)ccc1=O 19288528 CKCGXFDALYGSIU-UHFFFAOYSA-N 339.355 1.308 0 40 EDAB CCn1cc(CN2CCCN(c3ccnc(N(C)C)n3)CC2)cn1 607145105 CAMACRZDZWBPQB-UHFFFAOYSA-N 329.452 1.471 0 40 EDAB CC1CCN(C(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)CC1 4166205 DIOLCYXJHXLDMX-UHFFFAOYSA-N 331.420 1.607 0 40 EDAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)C3CCCC3)CC2)c1=O 575606350 IZBYGGAKWVDKFM-UHFFFAOYSA-N 346.353 1.954 0 40 EDAB CN(C)C(=O)CNC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 7243559 WOTNLUJNJQHBQN-UHFFFAOYSA-N 335.404 1.529 0 40 EDAB CNC(=O)CN1CCC(NC(=O)N[C@@H]2CCOc3ccccc32)CC1 28422772 NRHFMHWRGRROHT-OAHLLOKOSA-N 346.431 1.020 0 40 EDAB O=C(NCCc1cccs1)C1=NN(c2ccccc2)C(=O)CN1 30586214 QTSDSWNEBRLUMO-UHFFFAOYSA-N 328.397 1.357 0 40 EDAB O=C1CCN(Cc2cc(Br)cc3c2OCC3)CCN1 153852142 CNZCJCDKLUIIRK-UHFFFAOYSA-N 325.206 1.706 0 40 EDAB COC1(CNC(=O)C(=O)NCc2ccco2)Cc2ccccc2C1 244947567 DMQGWNPKAKUUPA-UHFFFAOYSA-N 328.368 1.196 0 40 EDAB CCc1cc(C(=O)N2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)no1 2037985079 XDHPDQKDGUIGAY-SFHVURJKSA-N 349.431 1.869 0 40 EDAB O=C(N1CCC1)C1(n2cccn2)CCN(Cc2nccs2)CC1 2055772176 DIALWOBHRNWKPH-UHFFFAOYSA-N 331.445 1.563 0 40 EDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4ncc(Cl)cn4)C[C@H]3O2)n[nH]1 2055772376 DHFNHTYYLKEZAI-MVWJERBFSA-N 348.794 1.549 0 40 EDAB O=C(CN1CCN(CC(=O)c2ccco2)CC1)Nc1ccccc1F 36708312 UYNRZAWCRGRSNV-UHFFFAOYSA-N 345.374 1.858 0 40 EDAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)N1CCN(c2ccccc2O)CC1 585149839 SZUMQTUBLJZQNL-CZUORRHYSA-N 345.443 1.449 0 40 EDAB O=C(NCc1ccc([C@@H](O)c2ccco2)s1)C(=O)Nc1ccon1 206686755 SUJAKBLOUCSDAD-ZDUSSCGKSA-N 347.352 1.666 0 40 EDAB CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38731034 QXFCTOBKVYIMJD-VXGBXAGGSA-N 336.413 1.086 0 40 EDAB CCN(CC)S(=O)(=O)N(CC)C[C@@H]1COc2ccccc2O1 40039885 OOCYFKZRVXVLJT-CYBMUJFWSA-N 328.434 1.735 0 40 EDAB C[C@H]1CCc2ccccc2N1C(=O)Cn1cnc2c(cnn2C)c1=O 10678954 YEWHINJXPIAVAJ-LBPRGKRZSA-N 337.383 1.498 0 40 EDAB CC(C)CN1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1 45263086 FKPKJYMUROQBHY-UHFFFAOYSA-N 340.427 1.646 0 40 EDAB CC(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 8259337 HUZAMJSEYSWUIF-NSHDSACASA-N 332.360 1.752 0 40 EDAB O=C(CSc1nnnn1-c1cccnc1)NCc1cccs1 1357578 AQNOOAZZDKOIFV-UHFFFAOYSA-N 332.414 1.527 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2CC(=O)NC2CCOCC2)n1 70006696 XLSCOCFTGZEDQE-QGZVFWFLSA-N 334.464 1.650 0 40 EDAB Cc1ccc(-n2cc(S(=O)(=O)N[C@@H](C)c3nncn3C)cn2)cc1 70040278 YOCMZEOLSZSXHR-LBPRGKRZSA-N 346.416 1.349 0 40 EDAB Cc1cc([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)no1 31159256 LQCMPYAAQYBXED-CXAGYDPISA-N 346.387 1.367 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccc(F)cc1 40488744 KVJIKJLQSPSEOF-MRXNPFEDSA-N 348.399 1.568 0 40 EDAB O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CCOCC1 40509295 MJYBUZBELFTPGU-UHFFFAOYSA-N 326.278 1.759 0 40 EDAB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ncc(Cl)cc1Cl 7681567 UCMADINBYQCYNB-UHFFFAOYSA-N 342.138 1.817 0 40 EDAB O=C(COc1ccccc1F)N[C@H]1CC(=O)N(CC(F)(F)F)C1 96414080 NAWRAWQBDLKYMJ-VIFPVBQESA-N 334.269 1.484 0 40 EDAB O=C(Nc1ccon1)c1nnc2ccc(N3CCOCC3)cc2n1 57280168 JYAGLZVCDWAQLH-UHFFFAOYSA-N 326.316 1.102 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)Cc3cccs3)C2)C1 108531509 VMRMDWVEBFFUID-UHFFFAOYSA-N 328.459 1.221 0 40 EDAB O=C1CN(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)C(=O)N1 29018240 HEFCCGJDYMCRLI-UHFFFAOYSA-N 343.339 1.273 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)c3ccncc3C2=O)c1 20736512 BSQMSJPXXFEJEC-UHFFFAOYSA-N 338.323 1.275 0 40 EDAB O=C(c1ccno1)N1CC[C@H]2OCCN(Cc3cccnc3)[C@@H]2CC1 107255111 ZWELSOUNLGQTRH-HZPDHXFCSA-N 342.399 1.575 0 40 EDAB C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(N2CCNC2=O)CC1 52216684 UWCWUMVDYRIOCO-HNNXBMFYSA-N 344.459 1.523 0 40 EDAB CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H](C)O 32738733 AOAGIDOXAAPDJZ-NWDGAFQWSA-N 349.456 1.784 0 40 EDAB O=C1N[C@H](C(=O)NCc2ccco2)CS[C@H]1Cc1ccccc1F 29460159 CFALMHXHCRBWIC-GJZGRUSLSA-N 348.399 1.878 0 40 EDAB O=C(NCC1CC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 32909787 PCYREDMRCDOHCE-UHFFFAOYSA-N 340.420 1.753 0 40 EDAB Cc1ccccc1-c1nnn(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)n1 53115227 WYYMEGNDNBMZIW-HZPDHXFCSA-N 341.415 1.819 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCNC(=O)C3CC3)CC2=O)cc1F 41904423 RMXMVMKQZUTCJB-ZDUSSCGKSA-N 347.390 1.129 0 40 EDAB CCCNC(=O)c1c(NC(=O)c2noc3c2C[C@@H](C)CC3)cnn1C 2727629 VCFRXNSWLBGAEW-JTQLQIEISA-N 345.403 1.925 0 40 EDAB CCCc1c(C(=O)N2CC[C@@H](C(N)=O)C2)cnn1Cc1ccccc1 53894847 CLSPFGYIROVOBG-OAHLLOKOSA-N 340.427 1.831 0 40 EDAB Cc1nc(COc2ccc(C(=O)NS(C)(=O)=O)cc2)cs1 42280363 OMPLFIOXIFFQMR-UHFFFAOYSA-N 326.399 1.720 0 40 EDAB Cc1cc(C)n(CCCNC(=O)c2cccc(-n3cnnn3)c2)n1 23158936 FUQXYWXWQSJHNE-UHFFFAOYSA-N 325.376 1.296 0 40 EDAB NC(=O)[C@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)c1ccccc1 47065150 CJEOMSVCEWOAHJ-QGZVFWFLSA-N 335.363 1.413 0 40 EDAB CC[C@H](NC(=O)c1cc(OCC(=O)N(C)C)n(C)n1)c1ccccc1 57312619 ZYZDZGWFAOJNHT-AWEZNQCLSA-N 344.415 1.768 0 40 EDAB CN1CCc2nc(NC(=O)CNC(=O)C3CCCCC3)sc2C1 24152667 VRWWOLFYCGBNPU-UHFFFAOYSA-N 336.461 1.766 0 40 EDAB COc1ccc(CN(C)C(=O)CN(C)c2ncnc3[nH]cnc23)cc1 47403104 BMJNVROWYUIIHJ-UHFFFAOYSA-N 340.387 1.456 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(C)nc2c1c(C)nn2C 24728543 WVXMMQVGYCKSSP-CYBMUJFWSA-N 332.404 1.903 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 24995560 XGMJYVHAZGYTFR-GXSJLCMTSA-N 344.337 1.325 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 106577705 FRCULRRVUCPGON-KBPBESRZSA-N 341.411 1.638 0 40 EDAB Cc1cnn(C[C@@H]2CN([C@H](C)C(=O)Nc3nccs3)CCO2)c1 106665791 SWQJJZQSIVARAW-OLZOCXBDSA-N 335.433 1.376 0 40 EDAB Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)NC(N)=O)cc1Cl 25317029 FQHBVSFJWSWIQM-QMMMGPOBSA-N 339.808 1.905 0 40 EDAB NNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12 57352162 XDRDYLWYDOYNJY-UHFFFAOYSA-N 340.368 1.396 0 40 EDAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)O)c1 108137190 XXNCTCBUFNGREL-JSGCOSHPSA-N 341.429 1.706 0 40 EDAB CCN1CCN(CCCNC(=O)c2ccc(OC(C)C)nc2)CC1 58162896 BOVMKFSHKVBIRO-UHFFFAOYSA-N 334.464 1.626 0 40 EDAB COC(=O)[C@@H]1CN(CC(=O)Nc2cccnc2Cl)CCS1 58158064 RQAGQHKHYFOUDA-JTQLQIEISA-N 329.809 1.264 0 40 EDAB Cn1nnnc1SCCC(=O)NCCN1CCCc2ccccc21 58213325 APXOKMAKCMCJBQ-UHFFFAOYSA-N 346.460 1.261 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1cnn(-c2ccccc2)c1 58266918 XHXHFVZYMIQZBW-UHFFFAOYSA-N 336.417 1.019 0 40 EDAB CC[C@H](Nc1cccc(OCC(=O)NC)c1)C(=O)Nc1cc(C)on1 44934019 LAJNLPZHTCQCAH-AWEZNQCLSA-N 346.387 1.937 0 40 EDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 44938548 QOOYAMRKWZCFPV-QMMMGPOBSA-N 343.792 1.439 0 40 EDAB O=C(NCCCN1CCCC1=O)c1cccnc1OCC(F)(F)F 23187129 AFPUOFJHXMCPAV-UHFFFAOYSA-N 345.321 1.765 0 40 EDAB O=C(c1ccc(N2CCOCC2)nc1)N1CCN(C2CCCC2)CC1 45085635 NDIXAMISDXUYRI-UHFFFAOYSA-N 344.459 1.619 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 58415512 ORSLFWDDUSSMKZ-INIZCTEOSA-N 349.862 1.823 0 40 EDAB Cc1ccc(CNCc2nnn3c2C(=O)N(CC2CC2)CC3)s1 306142676 XGFDGXYCPOXVBL-UHFFFAOYSA-N 331.445 1.804 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)N[C@@H]1c2ccccc2C[C@@H]1O 48333664 IIWITQFIEMOHSJ-WMLDXEAASA-N 341.415 1.462 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)C2CCN(C(=O)C3CC3)CC2)n1 48374884 QZTZVKZTVQKUTM-ZDUSSCGKSA-N 346.475 1.901 0 40 EDAB O=C(CN1CSCC1=O)NCCc1ccc(C(F)(F)F)cc1 12818862 MRTGBICXMIPNRH-UHFFFAOYSA-N 332.347 1.897 0 40 EDAB CC(C)C[C@]1(C)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 3462992 HKYXFMVDDOUPKM-SFHVURJKSA-N 343.383 1.639 0 40 EDAB COc1ccc(CC(=O)OCC(=O)NC(=O)NC2CCCC2)cc1 3436345 NLCWEBSPQFZLQB-UHFFFAOYSA-N 334.372 1.549 0 40 EDAB COc1ccc(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1C 69416227 PPPGMELRPMGXPA-UHFFFAOYSA-N 334.397 1.832 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCN(Cc3nnnn3C3CC3)CC2)n1 69414697 QRRYPCUFYFFRNR-GFCCVEGCSA-N 346.439 1.393 0 40 EDAB OCCN1CCC(CNCc2csc(-c3ccccn3)n2)CC1 69415291 HPMCJTGUOQDLHJ-UHFFFAOYSA-N 332.473 1.999 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 69492938 KDEGWGMVVBOBGY-IUODEOHRSA-N 346.431 1.992 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1OCC 13027881 PSMKXIUJVOFDTI-LBPRGKRZSA-N 343.401 1.722 0 40 EDAB CC(=O)N1CCCN(C(=O)c2[nH]nc(C)c2Br)CC1 49037611 AGCRKBYSBNDNAA-UHFFFAOYSA-N 329.198 1.175 0 40 EDAB Cc1nnc([C@H](C)OC(=O)c2cc(S(N)(=O)=O)c(C)cc2C)o1 63378784 ZGCBGXPWLIEVDO-VIFPVBQESA-N 339.373 1.560 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)Nc3nc(C)no3)CC2=O)cc1 69515135 WQZVWRFZWDMGQE-GFCCVEGCSA-N 330.344 1.374 0 40 EDAB CC1=NN(c2ccc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cc2)CC1 49651801 IPUFOHVDAFTTHH-CYBMUJFWSA-N 335.429 1.437 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 8502647 DTNSITDJNRUEEH-INIZCTEOSA-N 328.376 1.359 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc3cccnc23)C1 25903716 BYXPZQIIJKEVAJ-CYBMUJFWSA-N 333.413 1.845 0 40 EDAB COc1ccc(NC(=O)C(=O)N2CCC(c3nc(C)no3)CC2)cc1 69630278 DIOLDKNIDDCKIW-UHFFFAOYSA-N 344.371 1.731 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCC[C@@H]2Cn2cncn2)cc1 69601073 KAQIEHUHRPMHAP-QGZVFWFLSA-N 327.432 1.710 0 40 EDAB O=C(c1ccc2nncn2c1)N1CCc2[nH]nc(C(F)(F)F)c2C1 69654052 XYKDNFYFDUQUEK-UHFFFAOYSA-N 336.277 1.670 0 40 EDAB O=C(NC[C@H](O)Cc1ccccc1)c1ccc(N2CCOCC2)cc1 69777586 UMNOPANKKRMUSQ-LJQANCHMSA-N 340.423 1.857 0 40 EDAB C[C@H]1CN(CCNS(=O)(=O)Cc2ccccc2Cl)C[C@@H](C)O1 69703133 WOTIKYQBVUPTDH-BETUJISGSA-N 346.880 1.869 0 40 EDAB Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1C[C@@H](C)C[C@@H](C)C1 65490407 IBLGKTYNNUTXOP-TXEJJXNPSA-N 341.415 1.582 0 40 EDAB COC(=O)c1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)n(-c2ccccc2)n1 65496230 ILJRRLVOFDHHHX-WBMJQRKESA-N 343.383 1.956 0 40 EDAB O=C(CCN1CCCC1=O)OC[C@@H]1CN(Cc2ccccc2)CCO1 65551358 JIKYPDLRVIVBCH-KRWDZBQOSA-N 346.427 1.443 0 40 EDAB CCc1[nH]c(C(=O)NC[C@H]2CN(C3CC3)CCO2)c(C)c1C(=O)OC 69876516 ZYESZBCZOYWFRE-ZDUSSCGKSA-N 349.431 1.265 0 40 EDAB COc1ccc2c(C)c(CC(=O)NCCCO)c(=O)oc2c1OC 6623832 TWVZXTDCLIKEGE-UHFFFAOYSA-N 335.356 1.160 0 40 EDAB biogenic CCc1ccccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 69922615 QVUBURJIHMZBCF-HNNXBMFYSA-N 346.475 1.187 0 40 EDAB O=C(/C=C/c1ccco1)N1CCN(S(=O)(=O)c2ccccc2)CC1 6790850 WAJAIXBXYWLQKZ-CMDGGOBGSA-N 346.408 1.826 0 40 EDAB Cc1cc(N(C)C)nc(N2CCC[C@H](Cn3nc(C)nc3C)C2)n1 69952142 RVQMPJSMOJOEQO-HNNXBMFYSA-N 329.452 1.976 0 40 EDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1ncccn1 6913448 ILVFTVXKTMUAAC-UHFFFAOYSA-N 334.376 1.805 0 40 EDAB CN(CC(=O)Nc1sccc1C(N)=O)Cc1ccc2c(c1)OCO2 7640633 XSMPNZZQZWOROY-UHFFFAOYSA-N 347.396 1.646 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 7729382 FPTKUFHSGMOPJV-SECBINFHSA-N 337.357 1.812 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(-n2cnnn2)c1 7737233 NEMUEYMRQHGIAZ-UHFFFAOYSA-N 336.311 1.209 0 40 EDAB CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860450 ATOJCFYPMKMMJM-UHFFFAOYSA-N 332.385 1.279 0 40 EDAB CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O 16463021 JZEZNZSHNKEZHA-OAHLLOKOSA-N 325.315 1.258 0 40 EDAB O=C(Cn1cnnn1)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 91060074 LFQQCXSJTLIQGP-YPMHNXCESA-N 325.731 1.112 0 40 EDAB CC(C)NC(=O)Nc1ccccc1C(=O)OCC(=O)N1CCCC1=O 9535929 HEAUZLBAEYWDDJ-UHFFFAOYSA-N 347.371 1.522 0 40 EDAB CO[C@H](C)c1noc(CCC(=O)NCc2ccc3c(c2)OCCO3)n1 75094369 WWHUEZRUFHLGHI-LLVKDONJSA-N 347.371 1.797 0 40 EDAB CNc1cc(N2CCC[C@@H]2CNCc2nc(C)ccc2O)ncn1 71877201 XJYDSBDPXHEGFE-CYBMUJFWSA-N 328.420 1.686 0 40 EDAB CCN(CCNC(=O)N1CCS(=O)(=O)CC1)c1cccc(C)c1 71803863 CSUHIMQKUMCYGI-UHFFFAOYSA-N 339.461 1.261 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=O)CN2[C@@H](C)COC[C@H]2C)c(C)c1 75145431 DBJLTGJVXHTJOU-IYBDPMFKSA-N 347.459 1.776 0 40 EDAB CC[C@@H](Cc1c[nH]c2ccccc12)NC(C)=C1C(=O)NC(=O)NC1=O 19943238 VJFMLFYQRHOLIK-LBPRGKRZSA-N 340.383 1.719 0 40 EDAB CC(C)N1C(=O)C(=O)N(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O 71916354 UIQIFJVMMQTKAJ-LLVKDONJSA-N 339.392 1.443 0 40 EDAB O=C(c1ccc(-c2cccc(F)c2)nc1)N1CC[C@H](CO)[C@@H](O)C1 72122544 CKRRQCQUGACFOL-PBHICJAKSA-N 330.359 1.703 0 40 EDAB Cc1csc(CCCNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)n1 89705497 KKXBSTZBCZIMRH-QWHCGFSZSA-N 336.461 1.837 0 40 EDAB COCCOc1ccc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cn1 72299572 FXBPJNHIKBCUDL-CQSZACIVSA-N 330.388 1.850 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2CCN2C(=O)NC(C)(C)C2=O)n1 72253287 FAYOZTXHOFXTSE-OAHLLOKOSA-N 347.463 1.685 0 40 EDAB CCC[C@H](C)c1cc(NC(=O)Cn2nc3ccccn3c2=O)[nH]n1 97049039 JVQJQUAGPHELMB-NSHDSACASA-N 328.376 1.761 0 40 EDAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC[C@H]1CCC[C@@H]1O 72301329 UHLCDJOZKVYWSU-YPMHNXCESA-N 325.792 1.931 0 40 EDAB C[C@H]1CN(C(=O)CCCc2nc(C3CC3)no2)C[C@@H]1N1CCOCC1 76052134 OBCNJFHGJPRDHB-ZFWWWQNUSA-N 348.447 1.449 0 40 EDAB CC[C@H](C)c1ccc(NC(=O)CN2CCN(C(=O)COC)CC2)cc1 97358055 QSWYCSWTWSNBAK-HNNXBMFYSA-N 347.459 1.929 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc(S(C)(=O)=O)o2)no1 76043128 VAUGELYSOIVUPA-VIFPVBQESA-N 325.346 1.352 0 40 EDAB CCN1CCN(CCCCNC(=O)N2C[C@H](C)S[C@H](C)C2)CC1 76085541 IIQVUKJKOLUOSB-IYBDPMFKSA-N 342.553 1.940 0 40 EDAB COc1ccc([C@@H](C)N[C@H]2CCS(=O)(=O)C2)cc1Cn1cccn1 95419510 VEUKMAQNENMEGV-CJNGLKHVSA-N 349.456 1.778 0 40 EDAB CN1C(=O)C[C@H](NC(=O)Cc2cccnc2)[C@H]1c1ccc(F)cc1 95440500 YCSXIOCKFRODGV-MAUKXSAKSA-N 327.359 1.851 0 40 EDAB C[C@H](C(=O)N1CCO[C@@]2(CCc3ccccc32)C1)N1CCN(C)CC1 95435604 WIRYVSAEBUFLFB-UZLBHIALSA-N 343.471 1.323 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCOc3ccccc32)nc1 95455557 MLEYBJOFZNMJJD-CYBMUJFWSA-N 347.396 1.373 0 40 EDAB CCN(CCO)C(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C 98075294 QFBDKTCSSANUKA-CQSZACIVSA-N 328.359 1.560 0 40 EDAB CCS(=O)(=O)NCC(=O)N1CC2(CCCC2)c2c(F)cccc21 95976074 MMUSSNQXHRQTSF-UHFFFAOYSA-N 340.420 1.923 0 40 EDAB Cc1nccn1-c1ccc([C@@H](C)NS(=O)(=O)N(C)C)cc1F 79044809 YYVWPZHHBQTCKW-SNVBAGLBSA-N 326.397 1.777 0 40 EDAB CCc1nsc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1 89295594 FEDXRMXVCCBBDV-UHFFFAOYSA-N 332.433 1.275 0 40 EDAB Cn1ccc(C(=O)N2Cc3ccnn3[C@H](CCN3CCCCC3)C2)n1 306125356 CNIOPTRZGTZTAA-MRXNPFEDSA-N 342.447 1.690 0 40 EDAB CC[C@@H](CO)N1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1 78523907 UHHSWHOTYMFZJS-HNNXBMFYSA-N 330.436 1.172 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CC[C@@H](Oc2ccncc2)C1 121380450 XMDAEVPDYJFUNF-MRXNPFEDSA-N 335.367 1.956 0 40 EDAB O=C(O)[C@@H]1COCCN1C(=O)CCOc1ccc(F)cc1Cl 521362968 XTTPIMJHJUHESM-NSHDSACASA-N 331.727 1.560 0 40 EDAB Cc1cc(C)nc([C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)n1 72369673 HXSQUWBVAAAUAT-CQSZACIVSA-N 336.399 1.854 0 40 EDAB CCN1C(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)NC1=S 39556646 IWQHUOLNPCBGMV-GHXNOFRVSA-N 328.397 1.204 0 40 EDAB CC(C)(C)OC(=O)N1CCC2(CC1)Cn1nc(C(=O)O)cc1CO2 1554692327 CFIGRIOOFHTHHH-UHFFFAOYSA-N 337.376 1.881 0 40 EDAB Nc1nccnc1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 30624420 YAEZNQDRGRKDLO-GFCCVEGCSA-N 341.419 1.397 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)C2 72278890 SYDDAEGIMAKZOA-OAHLLOKOSA-N 347.440 1.481 0 40 EDAB CCOC(=O)C1(S(C)(=O)=O)CCN(Cc2ccccc2)CC1 217927981 NZOAXVJURCEQJZ-UHFFFAOYSA-N 325.430 1.629 0 40 EDAB C[C@H]1CN(C(=O)Nc2ncn(Cc3ccccc3)n2)CC2(CCC2)O1 565361511 QVEZTHNZDCWVSD-AWEZNQCLSA-N 341.415 2.502 0 40 EDAB O=S(=O)(Cc1cccc2cccnc12)NC[C@H]1CNCCCO1 561285694 XMUYSMGHNJAOHF-OAHLLOKOSA-N 335.429 1.033 0 40 EDAB O=C(CN1CCn2c(nnc2-c2ccccc2)C1)NCc1cccnc1 76183086 TXKJCJZAYLAATA-UHFFFAOYSA-N 348.410 1.472 0 40 EDAB Cn1cccc1[C@H](O)CNC(=O)C1(c2ccccc2)CCOCC1 75155072 MHSZHEXLUKUKKT-QGZVFWFLSA-N 328.412 1.923 0 40 EDAB CC(=O)NCC(=O)NC[C@H]1CC[C@H](NC(=O)CC2CCCC2)CC1 1060649574 VEZFQHMREFTYTH-WKILWMFISA-N 337.464 1.494 0 40 EDAB COc1cccc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)n1 85436229 VFYHQDLJAPUZAC-MRXNPFEDSA-N 346.431 1.191 0 40 EDAB biogenic,in-vitro Cc1occc(=O)c1OCC(=O)N1CCN(c2ccccc2)CC1 40284448 CFDLCMKEFTUIAP-UHFFFAOYSA-N 328.368 1.676 0 40 EDAB COc1cc(C(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cc2c1OCCO2 570404367 NXOCZCXQSVJFQM-IGQOVBAYSA-N 329.352 1.492 0 40 EDAB CC(C)(C)C(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 606440480 BLIVTYSEILRSEO-UHFFFAOYSA-N 349.353 1.850 0 40 EDAB O=c1c(F)cn([C@H]2CCCO2)c(=O)n1C[C@H](O)CCc1ccccc1 195562199 RQSHVIQSXBZLFW-GDBMZVCRSA-N 348.374 1.452 0 40 EDAB CC1(C)CC(=O)N(CC(=O)NCCN2CCOCC2)c2ccccc21 96183210 DVLSVNHQDQWFJA-UHFFFAOYSA-N 345.443 1.149 0 40 EDAB C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(Cc1ccco1)CC2 96201608 JGTMTMVEYBXMSF-CQSZACIVSA-N 344.415 1.800 0 40 EDAB CN(CCN1CCN(c2ccccc2)CC1)C(=O)C1=COCCC1 95399407 RTYAQYCHDKFRPS-UHFFFAOYSA-N 329.444 1.961 0 40 EDAB COc1c(C(=O)Nc2cc(C)nn2C)nnn1Cc1ccc(C)cc1 96183335 FATMDWTVPLVGMG-UHFFFAOYSA-N 340.387 1.938 0 40 EDAB CN(C)C(=O)COCc1cncc2c1CCN(Cc1nccs1)C2 96189382 DXIILYDEOVUNOB-UHFFFAOYSA-N 346.456 1.701 0 40 EDAB Cc1n[nH]c(C[C@H]2OC[C@H]3CN(C(=O)Cc4ccsc4)CC[C@H]32)n1 96206679 XGSBQNRATNFJJP-RBSFLKMASA-N 346.456 1.823 0 40 EDAB COCCNC(=O)C[C@@H]1OC[C@H]2CN(Cc3ccccc3C)CC[C@@H]12 96206994 SNUWXWNONJPWMV-QRVBRYPASA-N 346.471 1.985 0 40 EDAB Cc1ccc(CN2CCC[C@@]3(CCN(S(=O)(=O)N(C)C)C3)C2)o1 96215976 HZUZJBLPEGRQRN-MRXNPFEDSA-N 341.477 1.682 0 40 EDAB O=C(CC1CC1)NC[C@H]1OCCc2cn(CC3CCOCC3)nc21 96044435 WZRXGRMJKKFOAA-MRXNPFEDSA-N 333.432 1.840 0 40 EDAB Cc1ccc(CN2CCC3(CC2)C[C@H](OCC(=O)N(C)C)CO3)o1 96047824 WDFHIEAKECUVFR-INIZCTEOSA-N 336.432 1.816 0 40 EDAB CN(C)C(=O)N1Cc2nnn(CC3CC3)c2[C@@H](COCC2CC2)C1 96045647 UJTRMJFSJJZNBN-CQSZACIVSA-N 333.436 1.696 0 40 EDAB COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)c1cnn(C)c1 96455967 OHVUKRLMZSBULR-HNNXBMFYSA-N 344.346 1.555 0 40 EDAB Cc1ccc(N(C)C(C)C)c(C(=O)NC2CCN(CC(N)=O)CC2)c1 96423566 URGYAJUKPNPUPA-UHFFFAOYSA-N 346.475 1.519 0 40 EDAB COCCN1CC[C@]2(CN(C(=O)NCc3ccccc3)C[C@H]2C)C1=O 96201669 AAGQFKNQBRFAFU-DNVCBOLYSA-N 345.443 1.713 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2cccnc2)[C@@H]1c1ccc(F)cc1 96181775 NZACQBNELUMUSF-IRXDYDNUSA-N 343.358 1.435 0 40 EDAB Cn1cc(CN2CCOC[C@]3(CCN(Cc4cccnc4)C3)C2)cn1 96070365 SDFPXHSSIMTHRU-IBGZPJMESA-N 341.459 1.540 0 40 EDAB O=C(c1ccoc1)N1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 96160350 BWKXEQNHRSHPSN-DOTOQJQBSA-N 331.372 1.567 0 40 EDAB Cc1cc(N2CCN(C[C@@H](O)COC(C)C)CC2)nc(C(C)C)n1 96967976 WVVPVGPPSAXHRH-MRXNPFEDSA-N 336.480 1.816 0 40 EDAB O=C(COC[C@@]12CCC[C@@H]1CN(c1ncc(F)cn1)C2)N1CCCC1 96109218 RLZDEUPDZQLVCP-KDOFPFPSSA-N 348.422 1.861 0 40 EDAB O=C1C[C@H](C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)CN1 97237856 ZSVMSUTZTFBHBK-GXFFZTMASA-N 342.317 1.741 0 40 EDAB CO[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)C1 583651914 VIPGEMWUUYJORQ-ZDUSSCGKSA-N 336.413 1.636 0 40 EDAB Cc1cccc(CNC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1 583614695 FBIJJHJOPHEWAC-KSZLIROESA-N 332.444 1.473 0 40 EDAB O=C(CN1CCC[C@](O)(c2cnn[nH]2)C1)NCc1cccc(Cl)c1 583617876 COJXDCHQOJUHCS-MRXNPFEDSA-N 349.822 1.058 0 40 EDAB Cc1ncoc1C(=O)N1CC2(C[C@H](Oc3cccnc3)CCO2)C1 248028115 KWDDRMJVRZQSQR-CYBMUJFWSA-N 329.356 1.831 0 40 EDAB CNc1cncc([C@H]2CCCN2C(=O)Cn2nc3ccccc3n2)n1 257323337 WJTFSBWOUPJUOW-OAHLLOKOSA-N 337.387 1.627 0 40 EDAB O=C1CCCN1CCC(=O)N1C[C@@H]2[C@@H](CC[C@H]2Nc2cnccn2)C1 257300506 RUODGWNOGQFXDN-RRFJBIMHSA-N 343.431 1.138 0 40 EDAB CNC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3ccncc3)C2)ncn1 257251437 JQTFNRVIOZELBV-ZDUSSCGKSA-N 339.399 1.326 0 40 EDAB COc1ccc(S(=O)(=O)N2CCO[C@H](c3cnccn3)C2)cc1 257277305 NXJDXQWUHVKXCY-HNNXBMFYSA-N 335.385 1.247 0 40 EDAB CCN1CCN(C(=O)[C@H](C)n2cc(COc3ccccc3)nn2)CC1 257173454 NYUGAKPHZDDFIS-HNNXBMFYSA-N 343.431 1.582 0 40 EDAB CCN1CCN(c2nn(-c3cc(C)ccc3C)nc2C(=O)O)CC1 256047180 KYENBIKHUHXIBJ-UHFFFAOYSA-N 329.404 1.724 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2cc3cc(F)ccc3n2C)C1 257258902 KVZKYMCCWNIFEW-CYBMUJFWSA-N 346.406 1.067 0 40 EDAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n(C)n2)[C@H]1O 257276117 NSKXIIHTDCDQON-NQBHXWOUSA-N 349.353 1.829 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@@H](Oc4ncccn4)CCO3)C2)on1 253600813 ZYSRENOFRSJSQG-LBPRGKRZSA-N 330.344 1.226 0 40 EDAB CCOC(=O)c1n[nH]c([C@H](C)NS(=O)(=O)Cc2ccccc2)n1 585115117 NAXPQTXTEAYTOZ-JTQLQIEISA-N 338.389 1.162 0 40 EDAB CC(=O)NCc1cnc([C@@H]2CN(CCc3ccc(F)cc3)CCO2)[nH]1 257321485 WBWVWIJHWMOAGY-KRWDZBQOSA-N 346.406 1.801 0 40 EDAB O=C(N[C@@H]1CCC[C@@H]1Cn1ccnn1)c1ccc(OC(F)F)cn1 1616032984 XBEHEEQOGWJWKL-ZYHUDNBSSA-N 337.330 1.873 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1nccnc1-c1cnn(C)c1 575606769 SCMLBGWDNDDIGZ-UHFFFAOYSA-N 325.376 1.157 0 40 EDAB Cc1cc(CN2CC3(C[C@@H](Oc4ccccn4)CCO3)C2)n(C)n1 585104661 KOEWMRQSCPFHCX-INIZCTEOSA-N 328.416 1.936 0 40 EDAB Cc1noc(CCC(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2)n1 585277402 UDTXDYMYLQZQAQ-HOTGVXAUSA-N 329.400 1.905 0 40 EDAB O=C(NCCc1cnn(-c2ccccc2)c1)N[C@@H]1CCCCNC1=O 45412980 QQYFROWUDQLFIQ-MRXNPFEDSA-N 341.415 1.383 0 40 EDAB C[C@H](CNC(=O)Nc1ccccc1-n1cccn1)N1CCOCC1 48149857 AASXOLCXQCXBRW-CQSZACIVSA-N 329.404 1.715 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cnc(-c3cnccn3)s2)CC1 69814050 HCDFELSHLWAGDH-GFCCVEGCSA-N 347.444 1.129 0 40 EDAB COCCNc1nc(CC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cs1 1616040324 GKXXCEYLJQATMW-FZMZJTMJSA-N 338.477 1.343 0 40 EDAB CSc1nnc(C2CCN(C(=O)N3CCOCC3)CC2)n1C 5001353 XKJFXCDMMZUXIJ-UHFFFAOYSA-N 325.438 1.169 0 40 EDAB CC(=O)Cc1nsc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)n1 5017004 KNIHJZXLRPPOMR-INIZCTEOSA-N 345.380 1.780 0 40 EDAB CCOC(=O)C[C@@H]1CN(C(=O)c2ccccc2)CCC12OCCO2 5734856 LGFVBZADXHPINR-OAHLLOKOSA-N 333.384 1.845 0 40 EDAB O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)[C@H]1CCCO1 12326029 LSLCBRCQGDJKEL-MRXNPFEDSA-N 336.407 1.404 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC(F)(F)F)cc1C 12553583 PGDYEYPNLIZSJN-UHFFFAOYSA-N 338.351 1.602 0 40 EDAB CNc1cc(CCNC(=O)Cc2cccnc2)nc(-c2ccncc2)n1 19592304 VJOZOXLTGDAUQL-UHFFFAOYSA-N 348.410 1.877 0 40 EDAB Cc1cc(C)c(C(=O)C[C@@H](N2CCOCC2)C(F)(F)F)c(=O)[nH]1 19874550 XLCQPLARZZQQJC-GFCCVEGCSA-N 332.322 1.828 0 40 EDAB O=C([C@H]1CN(c2cc(C(F)(F)F)ccn2)CCO1)N1CCCC1 1889096269 QKHGVKGFXDXIQJ-GFCCVEGCSA-N 329.322 1.928 0 40 EDAB COc1ccc2nnc(CNC(=O)CCC(=O)c3ccccc3)n2n1 238851520 JJZIFUHDZROFMF-UHFFFAOYSA-N 339.355 1.412 0 40 EDAB O=C1COC[C@@]2(CCN(C3CCOCC3)C2)CN1c1ccccc1 2037985513 MGRWUQTXAPGAKD-LJQANCHMSA-N 330.428 1.921 0 40 EDAB CCc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(CCOC)C3)cn1 1565544554 LKMBUJKZKCTNFA-UHFFFAOYSA-N 345.443 1.745 0 40 EDAB O=C(C1CC(F)(F)C1)N1CCC2(CC1)C(=O)NCCN2CC1CC1 1565552999 GJRPGTBYWWMDGY-UHFFFAOYSA-N 341.402 1.235 0 40 EDAB Cc1noc(CC(=O)N2CCc3ncnc(-c4ccccc4)c3C2)n1 1565556443 UCOYWPXSZOWGOF-UHFFFAOYSA-N 335.367 1.962 0 40 EDAB CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccc(C)c(Cl)c1 4107539 BZPVYWOPYXHZSF-CYBMUJFWSA-N 346.836 1.526 0 40 EDAB Cc1nc(SCc2ccccc2F)c2c(=O)n(C)c(=O)n(C)c2n1 4138850 QAFUMQMPEZFIOG-UHFFFAOYSA-N 346.387 1.767 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cn1 9909784 HFVGDWFYQNPYBD-UHFFFAOYSA-N 333.731 1.719 0 40 EDAB COCC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)cc(=O)[nH]1 11854354 HXPIYOOVIUIUBL-UHFFFAOYSA-N 345.384 1.577 0 40 EDAB COc1ccc(CC(=O)N2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)cc1F 2055772225 KHAJEVZOHRXWLU-GJZGRUSLSA-N 346.402 1.704 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1ccc2[nH]ccc2c1 575618071 YRNVLJOTUSZRRS-UHFFFAOYSA-N 333.351 1.703 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](Oc2ccncn2)C1 575611517 ZIGJAKNZPADSHW-ZDUSSCGKSA-N 349.412 1.636 0 40 EDAB O=c1cc2c(nn1CC1CCN([C@@H]3CCC[C@H]3O)CC1)CCCC2 585500373 IFZSXECMQLAEAX-QZTJIDSGSA-N 331.460 1.748 0 40 EDAB C[C@H]1CN(C(=O)CN2CCN(c3ccccc3F)CC2)C[C@@H](C)O1 72520153 JSWVRMATHACDBZ-GASCZTMLSA-N 335.423 1.584 0 40 EDAB O=C(CS(=O)(=O)c1cccc[n+]1[O-])N[C@@H]1CCCc2ccccc21 47940702 YSLLZPGPMHOHQV-OAHLLOKOSA-N 346.408 1.288 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)cn1 106776208 OLIQHYBPTWZDHV-XHSDSOJGSA-N 334.464 1.075 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CC[C@@H]1NC(=O)NC1=O 25255502 SQBAKQMQBLMHOG-LBPRGKRZSA-N 343.339 1.190 0 40 EDAB NC(=O)CCN(Cc1ccccc1)C[C@@H](O)COc1ccc(F)cc1 25303162 UWAYIOXOROUSAS-QGZVFWFLSA-N 346.402 1.943 0 40 EDAB Cc1cccc(C(=O)N2CCCC2)c1NCC(=O)NC(=O)NC1CC1 55852109 AAUQBMLHQCNUMP-UHFFFAOYSA-N 344.415 1.631 0 40 EDAB O=C(Cc1csc(-c2ncccn2)n1)N1CCO[C@@H]2CCC[C@@H]21 56198232 LVZKKHVREAZVDP-QWHCGFSZSA-N 330.413 1.923 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(F)cc2)C1 25897623 SSYXIOPTVFAMNW-ZDUSSCGKSA-N 328.409 1.156 0 40 EDAB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)cc1 4854739 FYEKAEVDROTGCY-CJNGLKHVSA-N 343.383 1.324 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)NCCc1ccc(F)cc1 8427919 XVDFHSANUPSMTM-UHFFFAOYSA-N 325.347 1.838 0 40 EDAB CCOCCCn1cnc2c3c(sc2c1=O)SCC(=O)N3 27562765 RWRRGEOAMMIADV-UHFFFAOYSA-N 325.415 1.929 0 40 EDAB Cc1noc(CN2CCN(C(=O)Cc3ccccc3Cl)CC2)n1 58218044 MAKMLYNJTGEXME-UHFFFAOYSA-N 334.807 1.918 0 40 EDAB Cc1cccc(N2CCN(CCNC(=O)[C@H](C)n3cncn3)CC2)c1 44915413 IELMIGBCJRJHRH-INIZCTEOSA-N 342.447 1.086 0 40 EDAB Cn1nccc1C1CCN(CCNS(=O)(=O)c2ccccc2)CC1 58342424 IUTUEFLIULNGJM-UHFFFAOYSA-N 348.472 1.578 0 40 EDAB CCOCCO[C@@H](C)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 58331007 VYXOMVMNXHVRCD-HNNXBMFYSA-N 348.443 1.849 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cc1 58356814 JZCMSBHORCDIGF-HNNXBMFYSA-N 332.400 1.850 0 40 EDAB C[C@@H](CCc1ccccc1)CC(=O)NC1CCN(CC(N)=O)CC1 58304843 CMFQQTALOJFITJ-HNNXBMFYSA-N 331.460 1.711 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NC[C@H](O)c2ccccc2Cl)C1 95433162 WOPRLPCJCJZNBE-FZMZJTMJSA-N 332.853 1.940 0 40 EDAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 48092645 XEHHUVVIEJMQIN-NSHDSACASA-N 339.461 1.680 0 40 EDAB CCN(Cc1ccccc1)C(=O)Cn1cnc2c(cnn2C)c1=O 3329452 URFMZTXGDGXYID-UHFFFAOYSA-N 325.372 1.179 0 40 EDAB CCc1cnc(N2CC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)nc1 107785996 HTWLGKMTACVUMK-RHSMWYFYSA-N 326.404 1.679 0 40 EDAB CN(C)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 57355063 LOYNMEURONHTEA-PBHICJAKSA-N 335.423 1.803 0 40 EDAB COc1ccccc1CCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 28427695 NLNZHBZLUZEVAQ-GFCCVEGCSA-N 344.333 1.765 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccn(C)c(=O)c2)c(C)c1 29008336 RWOCMNDAGAXPKI-UHFFFAOYSA-N 327.384 1.679 0 40 EDAB O=C(NCCCN1CCc2ccccc21)c1ccc(-n2cnnn2)cc1 29521504 MCWABZRRLSFNCQ-UHFFFAOYSA-N 348.410 1.845 0 40 EDAB Cn1cc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)cn1 29882765 JCLQMZGCKUDEDA-VOTSOKGWSA-N 340.427 1.582 0 40 EDAB Cn1cc(Br)c(C(=O)N2CCC3(CC2)OCCO3)n1 2770876 WXHOUEJUUSNWFC-UHFFFAOYSA-N 330.182 1.162 0 40 EDAB CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccnc1 101217060 OZEKMLJYTCPRAI-LDDOYCOJSA-N 349.383 1.248 0 40 EDAB O=C(Nc1cnn(COCC(F)(F)F)c1)c1nc2ncccn2n1 2808881 RMDBDYDWAVNKDQ-UHFFFAOYSA-N 341.253 1.110 0 40 EDAB Cc1ccccc1[C@H]1NC(=O)NC2=C1C(=O)N(C[C@H]1CCCO1)C2 12346063 PTTLCJKYGQMLBE-MLGOLLRUSA-N 327.384 1.624 0 40 EDAB CC(C)NC(=O)N1CCC(C(=O)NCCN2CCC[C@@H](C)C2)CC1 47147450 XXTGPEOHZHTEDW-OAHLLOKOSA-N 338.496 1.665 0 40 EDAB COc1cccc([C@H]2CC(O)=c3cc4c(cc3=N2)OCO4)c1OC 101413306 SDZYASRRUFAODU-GFCCVEGCSA-N 327.336 1.863 0 40 EDAB Cn1cc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)cn1 100120952 KKZHNRXULPXNNK-RHSMWYFYSA-N 340.431 1.309 0 40 EDAB NC(=O)CCCNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 48232605 RGBQOSKUHRXVOK-UHFFFAOYSA-N 332.400 1.651 0 40 EDAB COC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 12860401 URSDUDZCNWZYJG-NSHDSACASA-N 347.440 1.975 0 40 EDAB COc1ccc(/C=C/C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1F 12816705 DGRBEQXMKOZQAL-CSPWOOARSA-N 327.377 1.541 0 40 EDAB Cc1ccccc1CN(C)C(=O)Cn1nnn(-c2ccccc2)c1=O 12993012 PYGJLUUBLWWUGG-UHFFFAOYSA-N 337.383 1.396 0 40 EDAB CC(=O)c1cc2c(cc1NC(=O)CN1C[C@H](C)O[C@H](C)C1)OCO2 38332972 VCCQVZCXPYCCJO-PHIMTYICSA-N 334.372 1.666 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]2c2ccccc2)n(C)c1 63108104 FMIYUHQQSHHVAQ-KBPBESRZSA-N 333.413 1.219 0 40 EDAB CN1CCCN(C[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)O)CC1 61721316 VHEQBGKSVGZSSY-CYBMUJFWSA-N 337.395 1.493 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)NCc2cccnc2)cc1 64403787 RCGLTTSWFCEYBV-UHFFFAOYSA-N 328.372 1.206 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)c2nn(C)c(=O)c3ccccc23)cn1 71796988 FAFUEFXSOYTDAG-OAHLLOKOSA-N 337.383 1.644 0 40 EDAB Cc1cc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)on1 5279160 CKVJXYSERILKGG-UHFFFAOYSA-N 326.316 1.851 0 40 EDAB CCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1)C1=C(COC1=O)N2 4495951 JXTZQNJRSYNAJR-LBPRGKRZSA-N 339.351 1.315 0 40 EDAB CC(=O)N[C@@H](C(=O)NCC1(N2CCCCC2)CCOCC1)C(C)C 71893341 FJOFEQDSLAWQOG-MRXNPFEDSA-N 339.480 1.298 0 40 EDAB C[C@@H]1CN(CCNC(=O)NCc2ccnc(N(C)C)c2)C[C@@H](C)O1 65430247 CVFPIWCNGXXQEA-ZIAGYGMSSA-N 335.452 1.056 0 40 EDAB CN(Cc1cccnc1)C(=O)CN1C(=O)CCOc2ccccc21 65437465 ZOJQVCYJPAZLNH-UHFFFAOYSA-N 325.368 1.856 0 40 EDAB CC(C)CNC(=O)[C@@H]1CSCN1S(=O)(=O)c1cccs1 65553795 FBRDTJXODPLVSX-JTQLQIEISA-N 334.488 1.584 0 40 EDAB CCCN1C(=O)C(=O)N(CN(C)Cc2ccc(SC)cc2)C1=O 14121760 CBHGMEYSTWINHI-UHFFFAOYSA-N 335.429 1.999 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(-n3cccc3)c(F)c2)CC1 71871525 BGPZAIWTGVTRCN-CQSZACIVSA-N 331.391 1.755 0 40 EDAB O=C(NCCc1nnc2n1CCC2)c1ccc(N2CCCC2)c(F)c1 71883241 SBKNQTJUYVGQSU-UHFFFAOYSA-N 343.406 1.936 0 40 EDAB CC(=O)Nc1ccc(F)c(C(=O)N2c3ccccc3C[C@H]2C(N)=O)c1 71853688 UXMYRRUDAXOROT-INIZCTEOSA-N 341.342 1.841 0 40 EDAB Cn1ncc2c(N3CCc4c(sc5ncnc(N)c45)C3)ncnc21 14280440 JDSGKHXVWJIBEX-UHFFFAOYSA-N 338.400 1.513 0 40 EDAB C[C@@H](C(=O)NC(N)=O)N1CCC(CN2CCc3ccccc32)CC1 71897366 SECLVUJGSDAZSW-ZDUSSCGKSA-N 330.432 1.345 0 40 EDAB CC(C)[C@H](NCC(F)(F)F)C(=O)OCC(=O)N[C@H](C)C(C)C 71922230 KECZUUNGDXHLBF-PWSUYJOCSA-N 326.359 1.867 0 40 EDAB O=C(c1cccc2ccnn12)N1CCC(O)(Cn2ccnc2)CC1 72165413 LABKIXUEWVMECE-UHFFFAOYSA-N 325.372 1.198 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)no1 67941677 TYDKWHIUPRBIKZ-CYBMUJFWSA-N 334.420 1.741 0 40 EDAB Cc1cc(CN2CC[C@@H](N(C)Cc3nnc(C4CC4)n3C)C2)on1 84124227 IWDRHPLDGYXIHK-CQSZACIVSA-N 330.436 1.695 0 40 EDAB C[C@H](OC[C@@H](O)CNC[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1 72254052 RIMQWFGSNOPHFA-RRQGHBQHSA-N 342.867 1.699 0 40 EDAB Cc1cc(=O)oc2cc(OCCn3cnnc3[S@@](C)=O)ccc12 72293312 KQYDLEMJKYZPMC-QHCPKHFHSA-N 333.369 1.509 0 40 EDAB CC[C@@H](CO)NC(=O)C(=O)N1CCc2ccc(Br)cc21 72281349 IGIQZERXSXOKFM-NSHDSACASA-N 341.205 1.225 0 40 EDAB O=C(NCCCN1C(=O)CNC1=O)N[C@H]1CCCOc2ccccc21 72273321 GWZRTJYXPNZUFG-ZDUSSCGKSA-N 346.387 1.141 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3)nnn4C)C2)no1 72271754 GRSPPRAOMTZOLH-GFCCVEGCSA-N 340.387 1.934 0 40 EDAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc[n+]1[O-] 68928589 BRHLKUYOMNVGAK-GFCCVEGCSA-N 333.338 1.855 0 40 EDAB O=C(NCCc1nncn1C1CC1)c1cnn(Cc2ccccc2)c1 72277531 BVBCRJPGXYVFAW-UHFFFAOYSA-N 336.399 1.830 0 40 EDAB O=C(C[C@@H]1CCCN1S(=O)(=O)c1c[nH]cn1)c1ccc(F)cc1 97046897 WJXABCKZHCXYFS-ZDUSSCGKSA-N 337.376 1.975 0 40 EDAB CN(Cc1ncnn1C)C(=O)NCCCc1nc2c(s1)CCCC2 74065963 OXESNTDVSGKBGL-UHFFFAOYSA-N 348.476 1.925 0 40 EDAB CCOC(=O)NCc1nc2ccccc2n1CC(=O)N1CCOCC1 27789144 RQEZUPUZJRTYJY-UHFFFAOYSA-N 346.387 1.141 0 40 EDAB O=C(COc1ccccc1)N1CCN(C(=O)c2cccc(O)c2)CC1 69527691 KGYXTRLZHAAGLG-UHFFFAOYSA-N 340.379 1.756 0 40 EDAB COCCN(C(=O)CSCc1ccc(Cl)cc1)[C@@H](C)C(N)=O 69516942 RHSWHYCSOQABIR-NSHDSACASA-N 344.864 1.922 0 40 EDAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1nc2ccccc2[nH]1 17303701 LBOZNZOSLVNQEG-UHFFFAOYSA-N 344.396 1.870 0 40 EDAB CCn1nc(C)c(NC(=O)N2CCN(c3ccnc(C)n3)CC2)c1C 97136099 LBHXMIFYNVLDFP-UHFFFAOYSA-N 343.435 1.972 0 40 EDAB CNC(=O)c1cc(OC)ccc1NC(=O)C(=O)c1c(C)nn(C)c1C 69656360 QYGRWYOUUKXZMF-UHFFFAOYSA-N 344.371 1.227 0 40 EDAB COCCN1CCC[C@H](NS(=O)(=O)c2cccc(C(C)=O)c2)C1 69624169 YTRRQRJJEZXGQX-HNNXBMFYSA-N 340.445 1.278 0 40 EDAB Cc1ccnc(NC[C@H]2CCN(CCC(=O)N3CCOCC3)C2)c1 97200800 PUZLYBUSKOQIDU-MRXNPFEDSA-N 332.448 1.373 0 40 EDAB O=S1(=O)CC[C@@H](N(Cc2cccc(Cl)n2)C[C@H]2CCCO2)C1 72629288 JEQFXXVNRSSWGP-ZIAGYGMSSA-N 344.864 1.903 0 40 EDAB CSc1nnc(NC(=O)CSc2nc(C)cc(=O)[nH]2)s1 9143559 FOKWUFUOICCUFM-UHFFFAOYSA-N 329.432 1.383 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)NCCCOCC)ccc1C 408618393 GBLYHOIWXNWFLP-UHFFFAOYSA-N 328.434 1.450 0 40 EDAB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](C)CCO 84637347 CYQXMSCZIJQPPR-SFYZADRCSA-N 349.250 1.516 0 40 EDAB COc1ccc(OC)c([C@H](C)NC(=O)CN2CCN(C)C[C@H]2C)c1 89938939 LASNJVRZHMILJQ-KGLIPLIRSA-N 335.448 1.517 0 40 EDAB CCN(C(=O)CNc1ccccc1C(C)=O)[C@@H]1CCS(=O)(=O)C1 75572113 AORJRJGBOHIGNC-CYBMUJFWSA-N 338.429 1.337 0 40 EDAB Cn1nccc1[C@H]1CNC[C@@]12CCCN(Cc1cccnc1)C2=O 306139165 SRCPZEYWFZXESW-QAPCUYQASA-N 325.416 1.311 0 40 EDAB O=C(CSCCN1C(=O)c2ccccc2C1=O)NCc1ccco1 24064979 FAIRLEFMDSFOPO-UHFFFAOYSA-N 344.392 1.925 0 40 EDAB NC(=O)Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O 23126492 IPNCFQVCDHEDLJ-UHFFFAOYSA-N 349.803 1.322 0 40 EDAB COc1cccc([C@H](CC(=O)O)NS(=O)(=O)c2cccnc2)c1 548239751 RFTASUHEDSMCDA-AWEZNQCLSA-N 336.369 1.585 0 40 EDAB Cc1nnc(SCC(=O)N2CCOCC2)n1-c1ccc(F)cc1 409101373 XXUKTQQXNDGCHI-UHFFFAOYSA-N 336.392 1.666 0 40 EDAB CC(C)CCS(=O)(=O)Nc1ccc(OCC(=O)N(C)C)cc1 65513303 CTLCAQDWPWTCGY-UHFFFAOYSA-N 328.434 1.941 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)c1 548533050 YKWZAPNWSOYNFC-ZWNOBZJWSA-N 331.365 1.292 0 40 EDAB C[C@@H](NC(=O)N1CC[C@@H](CN(C)C)C1)C(=O)N1CCc2ccccc21 129839375 WVVNUTMGBZCOEA-CABCVRRESA-N 344.459 1.557 0 40 EDAB Cc1cc(=O)c(OCC(=O)Nc2ccccc2-c2nnn(C)n2)co1 524735378 YWENBDWMQYSMNK-UHFFFAOYSA-N 341.327 1.156 0 40 EDAB CC1=C([C@](C)(O)[C@@](C)(O)C2=C(C)C(C)(C)OC2=O)C(=O)OC1(C)C 5231802 WSBJERHYNMJZCF-ROUUACIJSA-N 338.400 1.792 0 40 EDAB biogenic C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 1541066028 ZTDRGRDCIGLMCN-OAHLLOKOSA-N 327.384 1.694 0 40 EDAB CO[C@H]1CCC[C@@H]1OC(=O)Cn1cc(Br)ccc1=O 78985096 YPLMGYCQJDCGMY-QWRGUYRKSA-N 330.178 1.722 0 40 EDAB O=C(CN1CC(c2nc(C3CC3)no2)C1)NCc1ccc(F)cc1 75156386 DPOGEOSJBWEKOY-UHFFFAOYSA-N 330.363 1.802 0 40 EDAB COC(=O)c1ccc(C(=O)NCC[S@@](=O)c2ccccc2)nc1 78914643 XBNRUDWPWVMQPF-QHCPKHFHSA-N 332.381 1.406 0 40 EDAB C[C@H]1CN(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)C[C@@H](C)O1 77671090 PPEHVWCKRYBLMI-ZNMIVQPWSA-N 325.453 1.306 0 40 EDAB CN1C(=O)CC[C@H](C(=O)N2CCc3ccccc32)[C@@H]1c1cnn(C)c1 79359170 WTYMUBUTYGTWSD-YJBOKZPZSA-N 338.411 1.919 0 40 EDAB COc1ccc(C(=O)NCc2c(C)ncc3c2CCNC3)c(OC)n1 72454672 DKLXFROIXAJYGP-UHFFFAOYSA-N 342.399 1.378 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3c(CC)noc3C)CC2)no1 78777990 LXDRKNSZAWOZSB-UHFFFAOYSA-N 333.392 1.449 0 40 EDAB Cc1nc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2O)c(C)o1 563700674 JGCLXTOPTFFSFM-DTWKUNHWSA-N 332.360 1.785 0 40 EDAB NC(=O)CN1CCC[C@H](c2cc(C(F)(F)F)nc3nccn23)C1 72367851 SLVFVACGKUPZPS-VIFPVBQESA-N 327.310 1.413 0 40 EDAB O=C(NC[C@@H]1CCCCS1(=O)=O)c1ccnn1-c1ccccc1 525827479 YRHYENISPHRYEV-AWEZNQCLSA-N 333.413 1.569 0 40 EDAB CN1C[C@@H](NC(=O)NCc2ccsc2Br)CCC1=O 225758102 SQOAFMLIZCNCLY-VIFPVBQESA-N 346.250 1.931 0 40 EDAB COc1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 45866048 DNWMNFCPTFSHMG-UHFFFAOYSA-N 341.410 1.900 0 40 EDAB Cn1cc(NC(=O)c2cn(-c3ccc(F)cc3)nn2)cc1C(N)=O 69456882 BKCDHWBRVIMKSB-UHFFFAOYSA-N 328.307 1.096 0 40 EDAB c1ccc(CN2CCO[C@H]3CN(c4ncnc5nc[nH]c45)C[C@H]32)cc1 195539285 AHDJYXMHCJVSMR-CABCVRRESA-N 336.399 1.443 0 40 EDAB NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)c1sccc1Cl 571493892 XSSLVUBWEQYSIJ-MRTMQBJTSA-N 334.850 1.676 0 40 EDAB CC(C)CN1CCC(O)(c2csc(CN3CC[C@@H](O)C3)n2)CC1 225465119 DYNRZBRNHYUDQG-CQSZACIVSA-N 339.505 1.649 0 40 EDAB biogenic,in-vitro CC(=O)N[C@H]1CCCN(C(=O)CN2C[C@H](C)Oc3ccc(C)cc32)C1 81571775 IRUPXRKAJUJUSD-HOCLYGCPSA-N 345.443 1.709 0 40 EDAB Cc1cc(-c2noc(CNC(=O)Cc3ccc4c(c3)OCO4)n2)no1 225813190 OQRCGDLXBUJYQT-UHFFFAOYSA-N 342.311 1.621 0 40 EDAB COc1cc(F)ccc1CN1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 43016824 PRXYLUHTXMASFC-IAGOWNOFSA-N 338.423 1.226 0 40 EDAB CN(C)C(=O)CCCn1nnc(-c2ccc(Br)cc2)n1 191704309 ZTIGIUZBJRDXMB-UHFFFAOYSA-N 338.209 1.971 0 40 EDAB COCCOc1ncccc1CNC(=O)[C@@H]1CCc2[nH]cnc2C1 225513738 PYRRTLZTFLBCRZ-GFCCVEGCSA-N 330.388 1.251 0 40 EDAB C[C@H](Oc1cccc(Br)c1)C(=O)N[C@H]1CC(=O)N(C)C1 96426364 UXIXFXRNCCYISM-ONGXEEELSA-N 341.205 1.563 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2OC[C@H](C(=O)Nc3cccnc3)[C@H]2C1 96215909 CDQWAIUYLDQFAL-IXDOHACOSA-N 342.399 1.772 0 40 EDAB Cc1cccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCOCC3)C2)c1 96253235 QRVCBWSKTBYORH-FGTMMUONSA-N 330.428 1.443 0 40 EDAB Cn1nc2c(cc1=O)C[C@H](C(=O)NCCc1ccc(F)cc1)CC2 238869317 MNAFDEIYWZCCMM-CYBMUJFWSA-N 329.375 1.383 0 40 EDAB Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCC(=O)N[C@H]3C)c2)nn1 583242234 OXGZUWIFRXHVKW-WFASDCNBSA-N 339.399 1.926 0 40 EDAB CCCS(=O)(=O)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 96108199 MPMCOESPUPZOFZ-LSDHHAIUSA-N 328.434 1.152 0 40 EDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)c4ccncc4)C[C@H]32)cs1 96248773 MSZXRVIWZUFWQC-CVEARBPZSA-N 344.440 1.572 0 40 EDAB Cn1cccc1C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072482 WTTGWXDCWGTMIO-QAPCUYQASA-N 327.384 1.873 0 40 EDAB O=C([C@@H]1CCOC1)N1CCO[C@@H]2C[C@H](COCc3ccccn3)C[C@@H]21 96250888 DHSKPNJGSURCRX-XYVMCAHJSA-N 346.427 1.641 0 40 EDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)c3ccoc3C)C[C@H]21 96054363 HKRJCXVANSOXAH-SJORKVTESA-N 345.399 1.918 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 96503144 LEBKHHIDAHUAIG-KBPBESRZSA-N 348.476 1.817 0 40 EDAB O=C1C[C@H](c2cccnc2)C2(CCN(CCN3CCCC3)CC2)N1 96199742 UAVGVLNVZHPRNY-QGZVFWFLSA-N 328.460 1.616 0 40 EDAB CO[C@H]1C[C@@H](CN(C)Cc2cnn(C)c2)N(C(=O)OC(C)(C)C)C1 583651477 NMMVTOIBEDAQJA-GJZGRUSLSA-N 338.452 1.876 0 40 EDAB CO[C@]1(C)C[C@@H](NC(=O)N2CCO[C@@H](c3nncn3C)C2)C1(C)C 583623566 KSXFNOMCEIGNOC-XHBSWPGZSA-N 337.424 1.102 0 40 EDAB COCC(=O)N1Cc2ccnn2C[C@@H](COCc2ccccn2)C1 96189185 XWWBWFXWQNLCNZ-AWEZNQCLSA-N 330.388 1.100 0 40 EDAB COCC(=O)N1CCC2(CC1)C[C@H](COC)N(Cc1ccccn1)C2 96240372 WWLVRCUUBJBFFF-QGZVFWFLSA-N 347.459 1.558 0 40 EDAB CC(C)(O)CC(=O)N1CC(O)(c2ccc(Br)cc2)C1 585114264 YVGVXLXCCUDJPH-UHFFFAOYSA-N 328.206 1.640 0 40 EDAB Cc1nn(CC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c(=O)o1 585121648 VAEYIKUWAKPJBB-AWEZNQCLSA-N 344.415 1.268 0 40 EDAB COCCNC(=O)[C@H]1CN(Cc2scnc2C)Cc2ncn(C)c21 248029516 KUAHZYKBZDJLTO-LBPRGKRZSA-N 349.460 1.047 0 40 EDAB COc1ncccc1CN1Cc2ccnn2[C@@H](C(=O)NCC2CC2)C1 247831791 HUBFFXGYTUPHNT-MRXNPFEDSA-N 341.415 1.370 0 40 EDAB Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3CCCCNC3=O)cc2)co1 69654802 BKEVFMSWVIFVFB-CQSZACIVSA-N 349.412 1.597 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NC3(CO)CCOCC3)cn2)n1 257253696 JZXVJPFKTHALEJ-UHFFFAOYSA-N 330.388 1.155 0 40 EDAB CCn1cc(CN2CCCN(C(=O)CC[C@H]3CCCO3)CC2)cn1 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340.387 1.399 0 40 EDAB CN(C)[C@H]1CC2(CCN(C(=O)Cc3cccnc3)CC2)OC[C@]1(C)O 257274551 NLNSBCHLUOIRKM-WMZOPIPTSA-N 347.459 1.087 0 40 EDAB CO[C@@H]1[C@@H]2CN([C@H](C)c3ccccc3)C[C@H](O)[C@@H]2C[C@H]2OCO[C@H]21 261829900 XURKOQQWNGJKKI-OOXNMXKUSA-N 333.428 1.817 0 40 EDAB CCNC(=O)NCc1nn(CCN2CCCC2)c(=O)c2ccccc12 96024233 DROPVPJMRGGPKM-UHFFFAOYSA-N 343.431 1.311 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 575406803 UDEYPYQNTIIPKM-XNRPHZJLSA-N 342.399 1.722 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@H]1C 585096283 FKAWGASJLNFMKQ-YRGRVCCFSA-N 342.399 1.965 0 40 EDAB CCCCC(=O)N1CCn2cc(CC(=O)N3CCOCC3)nc2[C@@H]1C 585097153 GFCKHNCQQFYTGO-AWEZNQCLSA-N 348.447 1.378 0 40 EDAB CN(C)CC(=O)N1Cc2ccnn2CC[C@@H]1COc1cccnc1 585097264 JIQSYPUPEZSKOF-OAHLLOKOSA-N 329.404 1.020 0 40 EDAB CC(C)C(=O)N1Cc2cncn2[C@@H](C(=O)NCCc2cccs2)C1 585096180 XCOLDAPUYOPJMJ-OAHLLOKOSA-N 346.456 1.843 0 40 EDAB CC(=O)N1CCN(C2CCC2)C[C@@](O)(COc2ccc(C)cc2)C1 585282038 WRZFPNUZKZFZGD-LJQANCHMSA-N 332.444 1.822 0 40 EDAB C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)C1CC(F)C1 585097000 DJXFLYJZLMYOJL-IYXRBSQSSA-N 346.406 1.475 0 40 EDAB CN(CCOc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 30979573 JGUXHDXYHCBEMK-UHFFFAOYSA-N 349.412 1.877 0 40 EDAB Cc1ccc(C)c(NC(=O)C(=O)NCc2nc(-c3ccco3)n[nH]2)c1 72291120 KIXXYEZAQYDKFZ-UHFFFAOYSA-N 339.355 1.936 0 40 EDAB Cc1occc1CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 76018261 DOPGLVYHDHMYAI-UHFFFAOYSA-N 343.318 1.563 0 40 EDAB Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)CC(C)(C)C)c1=O 38486406 VYRFCMZDVSLLOS-UHFFFAOYSA-N 335.404 1.232 0 40 EDAB CCN(C[C@H]1CCCO1)C(=O)Cn1nc(C)c2ccccc2c1=O 53427894 KUWJBQAPCVJWGU-CQSZACIVSA-N 329.400 1.732 0 40 EDAB C[C@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@@H](c2ccccc2)O1 62516544 SYULENSVKLOSBU-RDJZCZTQSA-N 346.427 1.614 0 40 EDAB COc1ccc(C(C)=O)cc1CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 39996808 BJUXPDOKJWTJCF-CQSZACIVSA-N 339.413 1.086 0 40 EDAB O=C(NC[C@]1(O)CCSC1)[C@H]1CCCN1C(=O)Cc1ccccc1 82967254 NRZVPDHPXPGPTM-CRAIPNDOSA-N 348.468 1.204 0 40 EDAB COC(=O)Nc1cccc(C(=O)NC[C@H](CO)Cc2ccccn2)c1 83891498 RAUYAAYPZHMXMC-CYBMUJFWSA-N 343.383 1.841 0 40 EDAB Nc1nc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)nc2ccccc12 108496365 XLZYZOLGSYMBIQ-WFASDCNBSA-N 325.416 1.703 0 40 EDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccncc1Br 95418503 PENXRHMWHBPOQO-RKDXNWHRSA-N 347.234 1.492 0 40 EDAB COc1cc(CS(=O)(=O)N2CCC[C@H]2c2ccon2)sn1 1615613532 ITQPRSLKZWIBMB-NSHDSACASA-N 329.403 1.807 0 40 EDAB Cc1cc(C(=O)N2CC(n3nc(-c4ccccc4)ccc3=O)C2)n(C)n1 1775973713 RDCBPXNSLJVTRD-UHFFFAOYSA-N 349.394 1.649 0 40 EDAB C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)N1CCNC1=O 12520724 ICGJAESEWYNPQS-SNVBAGLBSA-N 346.318 1.109 0 40 EDAB O=C(Cc1ccccn1)N1CCc2c(O)nc(-c3cnccn3)nc2C1 13267855 XNDCGIPKZMNDSR-UHFFFAOYSA-N 348.366 1.162 0 40 EDAB Cc1cc(N2CC=C[C@H]2C(=O)NC2CCCCC2)n2ncnc2n1 19117403 QHHKDIVPSYOXAH-AWEZNQCLSA-N 326.404 1.626 0 40 EDAB CC(C)c1ncc(CN2CCO[C@@H](C(=O)N3CCCCC3)C2)cn1 19747183 BHFTXWQDHVFKOV-MRXNPFEDSA-N 332.448 1.813 0 40 EDAB CCn1ccc(NC(=O)C2CN(C(=O)Cc3ccc(F)cc3)C2)n1 19747221 WYIFDQSMSDYSDU-UHFFFAOYSA-N 330.363 1.682 0 40 EDAB CCOc1cc(C)nc(N2CCN(Cc3n[nH]c(CC)n3)CC2)n1 158389318 VPORSSYRXQNNTD-UHFFFAOYSA-N 331.424 1.186 0 40 EDAB O=C(c1cc2n(n1)CCCC2)N1CCN(C(=O)c2ccco2)CC1 225601726 BCOVODVJJHCWGN-UHFFFAOYSA-N 328.372 1.411 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCCc2ccccc2C1 592818652 GRENIVRHUWNRFA-RHSMWYFYSA-N 329.444 1.547 0 40 EDAB COc1cc(CN2CCO[C@H](C(=O)N3CCCC3)C2)cc(OC)c1 1889128351 PLDFSWSNLGXPFZ-KRWDZBQOSA-N 334.416 1.527 0 40 EDAB CN(C)c1ccc(N2CCN(c3ncnc4ccsc34)CC2)nn1 1889136287 RPRGHIRLHXRHPA-UHFFFAOYSA-N 341.444 1.874 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N1CC[C@H](c2ncon2)C1 238836996 GYGGTTIRNLJULL-QMMMGPOBSA-N 343.386 1.096 0 40 EDAB Cc1nnc2c(N3CCC[C@@H](N(C)C(=O)C(C)(C)C)C3)nccn12 2087131237 MCUAAHXBJDNWAS-CYBMUJFWSA-N 330.436 1.906 0 40 EDAB C[C@@H]1S[C@@H](C)C(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 2710820 WBIWXOYFBIBKLU-IUCAKERBSA-N 336.369 1.233 0 40 EDAB CCOC(=O)CN1C(=O)S[C@H](Nc2ccc(C(=O)O)cc2)C1=O 4271915 MGJPGABUUSJAEN-NSHDSACASA-N 338.341 1.381 0 40 EDAB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccco3)o2)cc1 5240599 KSCOAYLANGFXBJ-UHFFFAOYSA-N 333.325 1.985 0 40 EDAB O=C(NCc1cccs1)C(=O)N1CCN(c2ccccc2)CC1 10326655 BMSIQXDOIGBEKW-UHFFFAOYSA-N 329.425 1.713 0 40 EDAB Cc1nc(C(=O)N[C@@H]2CCc3onc(C(=O)NC(C)C)c3C2)cs1 2055745677 SVIXMANCIYWAPI-SNVBAGLBSA-N 348.428 1.865 0 40 EDAB CCc1ncnc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)c1F 2086889289 BPBUXXGKRBZYPB-NSHDSACASA-N 342.440 1.571 0 40 EDAB O=C(/C=C/c1cccs1)N1CCN(S(=O)(=O)C2CC2)CC1 42383961 MPZHKQWOQKFVNY-ZZXKWVIFSA-N 326.443 1.398 0 40 EDAB COc1ccccc1C(=O)N1CC(Oc2cc(C)nc3ncnn23)C1 618255677 HJLWCUPHXNJFLZ-UHFFFAOYSA-N 339.355 1.345 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1C(N)=O)n1nc(C2CC2)ccc1=O 575620374 QGQOULASBNCEMQ-JTQLQIEISA-N 326.356 1.419 0 40 EDAB Cc1cccc(CC(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)c1 19234807 KLOFAACFVGMOMR-MRXNPFEDSA-N 336.439 1.989 0 40 EDAB COc1ccccc1S(=O)(=O)NC[C@H](O)c1ccc2c(c1)CCO2 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KIJPDQLTWGARFY-OCCSQVGLSA-N 326.400 1.855 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2cn(-c3ccccc3)nn2)C1 32270691 XNNFGKOPUHANBZ-MRXNPFEDSA-N 343.431 1.354 0 40 EDAB C[C@]1(C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1(Cl)Cl 32770956 YPAKFPUUNZZIBJ-SNVBAGLBSA-N 329.249 1.111 0 40 EDAB COc1ccc2nc(NC(=O)[C@H]3CCS(=O)(=O)C3)sc2c1 32768018 KSWUMKWTYLBISX-QMMMGPOBSA-N 326.399 1.678 0 40 EDAB CCOC(=O)N1CCC(NC(=O)[C@@H](C)NC(=O)c2ccco2)CC1 33028325 UZCJRUGBWXBGAI-LLVKDONJSA-N 337.376 1.135 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NCCOc1ccc2c(c1)OCO2 41487942 HEMQOIUZGJVNHL-LBPRGKRZSA-N 332.360 1.379 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCc1cccc(F)c1 103063513 XSVFNAWDVNSUMS-GVAFMPQTSA-N 328.343 1.249 0 40 EDAB Cn1ncc2c(N3CCC(NC(=O)c4ccncc4)CC3)ncnc21 54389092 WAJYGOHOQXBNIG-UHFFFAOYSA-N 337.387 1.157 0 40 EDAB COc1ccc(CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 23640473 SWGJHWYTAIJYAD-UHFFFAOYSA-N 345.399 1.566 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1F)N1CCN(C(=O)C2CC2)CC1 24596985 JMOQKMNSNHSEAW-ZDUSSCGKSA-N 333.407 1.385 0 40 EDAB CN1CCC[C@H](OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 3258311 LPPWHJXJKQPRQL-ZDUSSCGKSA-N 326.418 1.188 0 40 EDAB CN1CCO[C@@H](CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 106786008 ZLWDQCHDINZXGX-HIFRSBDPSA-N 348.365 1.365 0 40 EDAB O=C(COC(=O)c1[nH]nc2ccccc12)NC(=O)NCc1ccco1 25499434 YBECUMBXTXNMPX-UHFFFAOYSA-N 342.311 1.339 0 40 EDAB CC(C)(CNC(=O)CCSCC(N)=O)N1CCc2ccccc2C1 25465066 XAMCOYWKTFJALW-UHFFFAOYSA-N 349.500 1.548 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCO[C@@H]4CCC[C@@H]43)cnc12 56194011 UYAPHZSERKUFEX-LSDHHAIUSA-N 327.384 1.485 0 40 EDAB Nc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 7468401 YYPDMJRLIIZSQK-UHFFFAOYSA-N 325.368 1.994 0 40 EDAB Cc1cc2nc([C@@H](C)NC(=O)[C@H](C)n3nccc3C)cc(O)n2n1 100217866 VIWUQFVDEBQHCG-NEPJUHHUSA-N 328.376 1.687 0 40 EDAB COC(=O)N1CCC(NC(=O)[C@H](C)NC(=O)c2cccs2)CC1 57447333 FSQPRGOITNBSSW-JTQLQIEISA-N 339.417 1.213 0 40 EDAB COCCOC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3 1892775 NFUFEBJJLCGRAX-VIFPVBQESA-N 337.401 1.167 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2ccc(Cl)cc2)C1 58017185 IBWJFJWJLCECIB-LBPRGKRZSA-N 331.825 1.886 0 40 EDAB COC(=O)Cn1c(SCCn2cccn2)nc2ccccc2c1=O 58159617 ILDMQXBNTTUEIX-UHFFFAOYSA-N 344.396 1.558 0 40 EDAB C[C@@H]1CN(Cn2ncc3cn(-c4ccccc4)nc3c2=O)[C@H](C)CO1 58168553 VJPHMBWLBQUSLR-ZIAGYGMSSA-N 339.399 1.649 0 40 EDAB CCCS(=O)(=O)N(C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 95438728 JADOKWIJDJJRDM-CQSZACIVSA-N 339.461 1.686 0 40 EDAB CCN1C[C@H](C(=O)Nc2cccc(CN3CCOCC3)c2)CC1=O 58209256 QBMKANWPKUDAKM-OAHLLOKOSA-N 331.416 1.326 0 40 EDAB Cn1cnnc1CNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 58214554 MFHHIIYAIGUJEM-RYUDHWBXSA-N 335.205 1.998 0 40 EDAB O=C(NC[C@H](O)COc1cccc(F)c1)c1cccc2c1OCCO2 58332122 NSPIHQOGWZVIQP-ZDUSSCGKSA-N 347.342 1.767 0 40 EDAB Cc1ccc(-n2ncc3c(NCCOCCO)ncnc32)c(C)c1 2376260 GNGOQFGCWCQUMD-UHFFFAOYSA-N 327.388 1.853 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1c2ccccc2C[C@H]1O 95447904 ODUBORYAOPUWSO-UKRRQHHQSA-N 341.411 1.764 0 40 EDAB CC(C)c1noc(CS(=O)(=O)CC(=O)N2CCC[C@@H](C)C2)n1 46135324 LVYKBAMMRVADBO-LLVKDONJSA-N 329.422 1.366 0 40 EDAB CCC1(CC)[C@@H](N(C)C(=O)NCc2nnc3n2CCC3)C[C@H]1OC 95419113 KSYRVNNBFYGQNF-QWHCGFSZSA-N 335.452 1.959 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)CCCn1nnc2ccccc2c1=O 95480643 DEFCEWRZYIVYDY-CQSZACIVSA-N 343.431 1.172 0 40 EDAB COc1ccc(OC)c([C@@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 48234342 LHCBFTXATPYYRB-GHMZBOCLSA-N 342.417 1.251 0 40 EDAB CN(C)c1nc(N)nc(CCNC(=O)N[C@@H]2CCc3ccccc32)n1 48326272 DNRRXFHXGPYQIS-CYBMUJFWSA-N 341.419 1.049 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)NC[C@H]1Cc2ccccc2O1 48332450 BZWJQXGPLGKVEX-CYBMUJFWSA-N 327.388 1.369 0 40 EDAB COc1ccc(OC)c([C@H](C)NC(=O)c2nc3nccc(C)n3n2)c1 48374326 GXYKKSBINRBTJU-NSHDSACASA-N 341.371 1.941 0 40 EDAB C[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1nnc2ccccn12 48374319 GFJOMVUXPOFUCA-LLVKDONJSA-N 344.396 1.624 0 40 EDAB C[C@@H](OC(=O)Cn1nnc2ccccc21)C(=O)NCc1ccccc1 12861491 RYOCTEPJOPQSNG-CYBMUJFWSA-N 338.367 1.679 0 40 EDAB O=C(N[C@H]1CCC[C@H](C(=O)O)C1)C1CCN(c2cnccn2)CC1 95991876 IBEDIVGTJPEQOO-KBPBESRZSA-N 332.404 1.453 0 40 EDAB COc1cccc(CNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 3438844 VETUISAKEVWYTB-UHFFFAOYSA-N 339.351 1.015 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3cnc(C)nc3CC)CCO2)n1 89280360 KPHVWJZPJXBLHB-ZDUSSCGKSA-N 330.392 1.242 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cnn(C)c1C 13296877 PTHGMDRIKWXDQZ-UHFFFAOYSA-N 345.355 1.701 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 63242095 JQPVDRHFIOBBOH-CJNGLKHVSA-N 332.400 1.784 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@H](NS(C)(=O)=O)C1 93530975 SAABZUNAXNZTTG-HNNXBMFYSA-N 348.472 1.613 0 40 EDAB COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccn2cncc2c1 95438445 QKYHEJUCTCGPPM-MRXNPFEDSA-N 341.342 1.988 0 40 EDAB Nc1nc(S[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)n[nH]1 39383559 QXOFANYTPCOLSF-VXGBXAGGSA-N 333.417 1.516 0 40 EDAB C[C@@H]1CCCCN1C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 5109044 CXTCVMRIOOVOKH-LLVKDONJSA-N 329.356 1.481 0 40 EDAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)NC[C@@H]1CCS(=O)(=O)C1 65452937 MYAJAKOGEPPJOP-ZDUSSCGKSA-N 348.428 1.311 0 40 EDAB Cn1ccnc1[C@H](NC(=O)N1CCC(O)CC1)c1ccc(F)cc1 65452759 IZOHWBJGAUYPSH-OAHLLOKOSA-N 332.379 1.815 0 40 EDAB CN(CCCNC(=O)c1cc2c(cc1O)CCCC2)S(C)(=O)=O 65617905 RVUYKOAMMFOIHA-UHFFFAOYSA-N 340.445 1.282 0 40 EDAB NC(=O)COc1ccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cc1 71796546 WCKDNQOCERRGFC-CQSZACIVSA-N 328.372 1.225 0 40 EDAB COc1ccc(CC[C@H](C)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 67069115 RQOPJKKJNAMUSB-ZFWWWQNUSA-N 339.457 1.957 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCC(=O)N1CCCC1 67142242 YKVBMILSRRYSNB-CYBMUJFWSA-N 339.436 1.515 0 40 EDAB Cc1c(C(=O)N2CCN3CCCC[C@@H]3C2)sc2ncn(C)c(=O)c12 71839958 XANSZRVZQQEACJ-GFCCVEGCSA-N 346.456 1.614 0 40 EDAB C[C@H](CNC(=O)CCc1c[nH]c2ccccc12)N1CCN(C)CC1 71867458 JFBWEUGEDQEEGA-OAHLLOKOSA-N 328.460 1.853 0 40 EDAB CCOC1CCN(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 71804031 QCZUBLLPJCJGDF-INIZCTEOSA-N 345.443 1.998 0 40 EDAB O=C(NCCCCNc1ccccn1)c1n[nH]c(=O)c2ccccc12 71847110 XPKHZVOXXTUZPR-UHFFFAOYSA-N 337.383 1.940 0 40 EDAB CN(Cc1cccc(C(N)=O)c1)C[C@H]1CCCN1c1cccnn1 71860039 YMIAVHRJSNOJME-MRXNPFEDSA-N 325.416 1.676 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCC[C@@H](N2CCNC2=O)C1 71841767 JEZBATUFTCPPFN-GFCCVEGCSA-N 325.372 1.260 0 40 EDAB Cc1cccc(-c2nc(CN3CCO[C@@H](Cn4cncn4)C3)no2)c1 71878759 QCWIDMYPXXWXLK-OAHLLOKOSA-N 340.387 1.538 0 40 EDAB COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)CN1CCCNC1=O 71850986 DSXXCXIXWGHJAW-CQSZACIVSA-N 347.415 1.240 0 40 EDAB O=C(CNC[C@@H]1CCCN1c1cccnn1)Nc1ccc(Cl)cn1 71859873 ZOPLUSSQRHVSIC-ZDUSSCGKSA-N 346.822 1.722 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccnc(N2CCN(C)CC2)c1 68513487 ZKXMTOIMWFCHJG-OAHLLOKOSA-N 348.447 1.151 0 40 EDAB C[C@@H]1CCc2sc(C(=O)O[C@H](C)C(=O)N3CCNC3=O)cc2C1 7864864 MGLUANGBMTUAQU-NXEZZACHSA-N 336.413 1.970 0 40 EDAB COc1cc(CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)ccc1O 81475886 DSQNOOGEJROTMA-CYBMUJFWSA-N 334.294 1.610 0 40 EDAB Cn1cnc(S(=O)(=O)NCCc2ccc(-n3cccn3)cc2)c1 69095624 CYFXXVCGEILPFW-UHFFFAOYSA-N 331.401 1.127 0 40 EDAB COC(=O)C1(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCCCC1 22503840 GEQXOHNOJIVPQW-AWEZNQCLSA-N 331.368 1.760 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2ccccc2F)NC(=O)N[C@H]1C 8227542 CAKXACZEMOHRIG-VIFPVBQESA-N 336.319 1.501 0 40 EDAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@](C)(O)c1ccco1 81836319 XWPNOSOGCMNSRH-APWZRJJASA-N 342.395 1.577 0 40 EDAB COc1cccc(CC(=O)N2CCC(NC(=O)c3cc[nH]n3)CC2)c1 69328041 IYARZGYVUCKTEV-UHFFFAOYSA-N 342.399 1.382 0 40 EDAB Cc1ccoc1-c1nnc(CN2CCC(N3CCNC3=O)CC2)o1 69350965 NJOKKHOYZQJIGC-UHFFFAOYSA-N 331.376 1.628 0 40 EDAB CNC(=O)NC(=O)COC(=O)c1ccc(OC)c(Br)c1 8342185 MDXHAUAHNSBPFX-UHFFFAOYSA-N 345.149 1.070 0 40 EDAB COc1ccc2cc(C(=O)N(C)CCN3CCOCC3)c(C)nc2c1 69565985 XMCBYVXFASQEAM-UHFFFAOYSA-N 343.427 1.956 0 40 EDAB COc1ccc(NC(=O)[C@H]2C[C@H]2C)c(N2CCN(C(C)=O)CC2)n1 69566290 KIEWZAOFAVFDGG-YPMHNXCESA-N 332.404 1.353 0 40 EDAB CCOCCN1CCN(Cc2nc(-c3ccccc3OC)no2)CC1 69627096 MROAUBSYHFGPEY-UHFFFAOYSA-N 346.431 1.899 0 40 EDAB C[C@H](NC(=O)c1n[nH]c2ccccc12)c1ccc(S(N)(=O)=O)cc1 17854031 RSRKTMPHLLUGBD-JTQLQIEISA-N 344.396 1.701 0 40 EDAB COC(=O)c1ccc2[nH]cc(I)c(=O)c2c1 95705157 VDCRBGNWZQSRRA-UHFFFAOYSA-N 329.093 1.919 0 40 EDAB in-vitro CCCc1noc2nc(C)cc(C(=O)N3CCN(C[C@H](C)O)CC3)c12 69818669 JXKLJHNNUNBAQG-ZDUSSCGKSA-N 346.431 1.622 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)c3c(C)noc3C)CC2)n1 69846889 YKLSNRQPAVEOJR-UHFFFAOYSA-N 331.376 1.361 0 40 EDAB O=C1NC[C@]2(CCCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)O1 72164405 BYAHMSPMLLXYBA-SFHVURJKSA-N 340.383 1.646 0 40 EDAB O=C(c1ccc(N2CCCC2)nc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269646 DNAXHMLSQOYCFE-SJORKVTESA-N 344.459 1.353 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN(Cc3cccc(C(N)=O)c3)C2)o1 84258966 BOXJOQKQRJDXIW-INIZCTEOSA-N 328.416 1.788 0 40 EDAB Cc1cc([C@@H]2CCCN(CCNS(=O)(=O)c3ccccc3)C2)n[nH]1 72301122 FUZGOFSAECOWRZ-OAHLLOKOSA-N 348.472 1.876 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CN2CCC(c3cn[nH]c3)CC2)o1 97203369 PSSZAUCSLNZNLN-UHFFFAOYSA-N 338.433 1.633 0 40 EDAB Cc1ccc(-c2nc3cc(F)ccc3c(=O)[nH]2)cc1S(N)(=O)=O 97371589 WLCCTAGALFQEFG-UHFFFAOYSA-N 333.344 1.685 0 40 EDAB O=C(NCc1noc([C@H]2CC(=O)N(CC3CC3)C2)n1)c1ccccc1 95394401 IVZQEVFOFIVQKY-AWEZNQCLSA-N 340.383 1.726 0 40 EDAB C[C@@H](Cc1cccs1)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 95401279 AZZCRHZVUPPQDW-QWHCGFSZSA-N 344.502 1.715 0 40 EDAB Cc1cccc(I)c1C(=O)NCCCC(N)=O 95417107 SGLMWWGRHIBQEK-UHFFFAOYSA-N 346.168 1.595 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC2(CC1)OC[C@H](C)O2 75143577 OHXARIWVLHEVAJ-STQMWFEESA-N 327.425 1.084 0 40 EDAB Cc1cc(CC(=O)N(C[C@H]2CN(C)CCO2)c2nccs2)no1 89601005 HHYONYCQRHANMG-CYBMUJFWSA-N 336.417 1.346 0 40 EDAB O=C(N[C@@H]1CCSC1=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655754 GPYVHFFIFIOTJV-GFCCVEGCSA-N 340.351 1.185 0 40 EDAB CCOc1ccc(N([C@H](C)C(=O)NCCOC)S(C)(=O)=O)cc1 408926659 VUCLUZHEOKFIGA-GFCCVEGCSA-N 344.433 1.002 0 40 EDAB CC1(C)S[C@@H]2[C@H](NC(=O)Nc3ccccc3)C(=O)N2[C@H]1C(=O)O 28249447 LSCPNHFIESJHDY-JFGNBEQYSA-N 335.385 1.324 0 40 EDAB CN([C@H](C(=O)O)c1ccc(F)cc1)S(=O)(=O)c1cnn(C)c1 548247578 QYUNAUXYJJYHNF-LBPRGKRZSA-N 327.337 1.006 0 40 EDAB O=C(O)[C@H](CNC(=O)N1CCOCC1)Cc1ccccc1Cl 548537619 FBBJTYFSADWSHT-LBPRGKRZSA-N 326.780 1.625 0 40 EDAB O=C(NCc1cccc(N2CCCC2=O)c1)[C@@H]1NCc2ncncc21 1553398462 WAEUPVLKGHRQSX-QGZVFWFLSA-N 337.383 1.064 0 40 EDAB CCOC(=O)[C@@H]1COC2(CCN(C(=O)OC(C)(C)C)CC2)CN1 306145457 FUMIXGQHUSECAN-LBPRGKRZSA-N 328.409 1.308 0 40 EDAB Cc1noc(C)c1CNC(=O)CC1(Cn2cnnn2)CCCCC1 524733191 DCOIFUINNOWLTK-UHFFFAOYSA-N 332.408 1.935 0 40 EDAB CCN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 72242221 KGCCZHPOSVJSCE-RDJZCZTQSA-N 333.407 1.509 0 40 EDAB Cc1cc(C)nc(N2CCC[C@H](c3nnc4n3CCN(C)C4)C2)n1 72352915 JQYFHMMRRHDDCY-AWEZNQCLSA-N 327.436 1.514 0 40 EDAB CCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)CSC)cc1 75157332 OJQHMUAADQAACP-OAHLLOKOSA-N 326.418 1.254 0 40 EDAB Cn1cc(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)cn1 71283932 PHDZPKVMCVHFOO-UHFFFAOYSA-N 343.774 1.936 0 40 EDAB CCOC(=O)C1=C(CN2C[C@@H](C)O[C@H](C)C2)NC(=O)N[C@@H]1CC 32642307 LDBDWMDKBYEMAL-IJLUTSLNSA-N 325.409 1.004 0 40 EDAB COC(=O)CCNC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O 79501832 CPKABFGLYUIICK-UHFFFAOYSA-N 349.774 1.243 0 40 EDAB COc1cccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)c1 77261757 STZRSHUDGXLRKL-QBPKDAKJSA-N 328.368 1.098 0 40 EDAB biogenic,in-vitro Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1ccc(F)c(C(F)(F)F)c1 36708427 JKQNSNOFWALNIJ-UHFFFAOYSA-N 345.252 1.711 0 40 EDAB COCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241347 FPSQHQJNSAHGKO-KBPBESRZSA-N 326.780 1.001 0 40 EDAB Cc1cccc(N2C(=O)CN(CC(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 36080489 KVJUCDQDAOOWGQ-JKSUJKDBSA-N 336.457 1.465 0 40 EDAB CN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241658 LKUAQDWARACAMO-SJORKVTESA-N 346.358 1.976 0 40 EDAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cncs2)CC3)C1 72368408 QRWDNKYBUPBWRU-GFCCVEGCSA-N 346.460 1.242 0 40 EDAB Cc1noc(C)c1CC(=O)NCCn1nc(-c2ccco2)ccc1=O 42381438 DISJESFSTOACMS-UHFFFAOYSA-N 342.355 1.467 0 40 EDAB O=C(c1ccccn1)N1CCN(c2cc(-n3cccc3)ncn2)CC1 85472177 HZIXFYWZEWTAIB-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB CC(C)C(=O)Nn1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O 40388283 PHZFCBIEFKEYIW-UHFFFAOYSA-N 348.366 1.832 0 40 EDAB COc1cccc(CC(=O)N2CCCC[C@H]2c2cc(C(N)=O)[nH]n2)c1 225555405 DHLWZNSESGBPTA-INIZCTEOSA-N 342.399 1.814 0 40 EDAB CS[C@@H]1CC[C@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C1 81466927 NJTIYJDUPXBTIP-JKSUJKDBSA-N 348.516 1.994 0 40 EDAB Cc1ccc(F)c(N2CCC[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)c1 81757875 XCOMBPSTDREFHU-HIFRSBDPSA-N 348.422 1.762 0 40 EDAB Cc1cnc(N(C)C[C@H](O)CN2CCOCC2)c(Br)c1 194322569 IHEJKCXDTAIYON-LBPRGKRZSA-N 344.253 1.282 0 40 EDAB COc1ncccc1CN1C[C@@H]2C[C@@H](CC(=O)NCC3CC3)O[C@@H]2C1 96209648 ADADEAJCGVVXNP-YESZJQIVSA-N 345.443 1.596 0 40 EDAB O=C(c1ccoc1)N1CCc2ncnc(N3CCOCC3)c2CC1 96255716 SOXFRMOBYSDOGN-UHFFFAOYSA-N 328.372 1.147 0 40 EDAB O=C([C@H]1CCOC1)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159752 BHOSNBSUUOQPHA-HNAYVOBHSA-N 346.402 1.813 0 40 EDAB O=C([C@@H]1CN(Cc2nccs2)CC12CCOCC2)N1CCCC1 96052180 KFIRYHLVZNHCNX-AWEZNQCLSA-N 335.473 1.994 0 40 EDAB COC[C@H]1CN(C(=O)c2cccc3c2OCCO3)Cc2cn(C)nc21 96044685 AWSYHEIDEMZGGC-CYBMUJFWSA-N 343.383 1.577 0 40 EDAB CC(C)C(=O)N1CCN(Cc2ccncc2)C[C@@]2(CC(=O)N(C)C2)C1 96036061 RQNGGLVGGLFLSY-IBGZPJMESA-N 344.459 1.230 0 40 EDAB CCOC[C@H]1CN(C(=O)c2cc(C)nn2CC)Cc2nnn(CC)c21 96045533 OMPLYEBCJGJSCV-CYBMUJFWSA-N 346.435 1.599 0 40 EDAB Cc1ccc(NC(=O)N2CCN(C(=O)c3ccnn3C)CC2)cc1 96444802 AXWMQFDSHBJDQW-UHFFFAOYSA-N 327.388 1.718 0 40 EDAB Cc1cnc(N2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1 96224861 ZFWGPWGUXKTTEG-CRAIPNDOSA-N 346.431 1.019 0 40 EDAB CS(=O)(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)OC[C@@H](CO)O1 96531648 CHALPEGBYOFTPV-QZTJIDSGSA-N 348.420 1.959 0 40 EDAB O=C1C[C@@H](C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)CN1 97237851 ZSVMSUTZTFBHBK-MFKMUULPSA-N 342.317 1.741 0 40 EDAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1cccnc1)C2 96039770 ACFILNLZVNGTLO-HKUYNNGSSA-N 347.459 1.558 0 40 EDAB Cc1cnn(CCCNC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 96474819 GXUPRYVFTFMTFG-MRXNPFEDSA-N 329.404 1.840 0 40 EDAB O=C(c1cccnc1)N1CC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96072812 FHLJXLLMLUAWPR-YOEHRIQHSA-N 343.362 1.496 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)/C=C/c1cnc2ccccc2n1 97205502 RQZJJKHPKUSVCR-FVNWOWOISA-N 336.395 1.913 0 40 EDAB COCCC(=O)N1CC2(C[C@H](CCOc3ncccn3)CCO2)C1 247889697 SRTOYYNJBWUBJS-CQSZACIVSA-N 335.404 1.290 0 40 EDAB COCC(=O)NC[C@@H]1CN(Cc2ccccc2F)Cc2cncn21 247847706 QBXWVQSPQGNWQP-OAHLLOKOSA-N 332.379 1.342 0 40 EDAB CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]2[C@@]2(C3)NC(=O)NC2=O)CC1 585131699 DGWYBKHIEYZUIM-NMGOSJPMSA-N 333.432 1.649 0 40 EDAB C[C@@H](O)CNC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 343660879 DKIUFYUCEICARQ-DGCLKSJQSA-N 342.417 1.142 0 40 EDAB CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@@H](C)OCC(C)C 585113820 UCHTYOKRMQELNF-XJKCOSOUSA-N 336.436 1.400 0 40 EDAB O=S(=O)(Nc1ccnc(Cl)c1F)c1cnn([C@H]2CCOC2)c1 585128767 NCGUPWTYPVVFIF-QMMMGPOBSA-N 346.771 1.833 0 40 EDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 253381874 GENUUNAQQVCPOX-KLHDSHLOSA-N 327.336 1.731 0 40 EDAB O=C(c1cc2n(n1)CCCO2)N1CCN(Cc2ccccn2)CC1 85555260 YCYXRRQMAIJCGQ-UHFFFAOYSA-N 327.388 1.019 0 40 EDAB O=C(c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)N1CCCC1 252479702 BKHNIKJPSZLXHS-UHFFFAOYSA-N 338.429 1.068 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(C)[C@H](c2ccc(OC)cc2)C1 257311681 UKPJAFZLCQCZDS-INIZCTEOSA-N 341.477 1.570 0 40 EDAB CC(=O)N1CCN(CC(=O)N(C)C)[C@H](c2ccc(OC(C)C)cc2)C1 257332092 XVSCZYQQFJUKQM-SFHVURJKSA-N 347.459 1.767 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1Cc1ccc(OC)cc1 257311088 UHXAMSCJOHEZGF-GOSISDBHSA-N 326.400 1.723 0 40 EDAB O=C(COc1ccccc1Cl)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257260657 LDUFBOPBNOGGSM-HOCLYGCPSA-N 325.792 1.861 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(Cc3ccn(C)n3)CCN2C)c1 257288730 PVJSQJQSMWRKDC-KRWDZBQOSA-N 327.432 1.268 0 40 EDAB CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2ccncc2)C1 257327266 XASJNUXISIFMAH-IBGZPJMESA-N 340.427 1.576 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 257276934 NVTLDMQHTGRNDP-ZDUSSCGKSA-N 335.404 1.476 0 40 EDAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2nnn(-c3ccccc3F)c2C)[C@H]1O 257247331 IYNHKCUYOFYXSQ-IIAWOOMASA-N 348.378 1.325 0 40 EDAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN2CC2(O)CCOCC2)n1 257260527 LDGNKIYPWZDHFM-INIZCTEOSA-N 343.431 1.854 0 40 EDAB Cc1sc(=O)n(CC(=O)NC(C)(C)c2cn(C(C)C)nn2)c1C 1614621021 HHRKVXAQTHUVNQ-UHFFFAOYSA-N 337.449 1.751 0 40 EDAB Cc1ncc(C(=O)N2CCC(NC(=O)c3occc3C)CC2)c(N)n1 1615556832 FOYHEALAIFVFCH-UHFFFAOYSA-N 343.387 1.303 0 40 EDAB CC1([C@@H]2CCCN(c3nnnn3Cc3cccc(F)c3)C2)OCCO1 1616034325 ZPKNPSPTJMRCIW-CQSZACIVSA-N 347.394 1.840 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2ccc3c(c2)CCOC3)C[C@H]1C(F)F 1616044142 ARYVVQLJVPMYLW-CHWSQXEVSA-N 325.311 1.797 0 40 EDAB O=C(NC[C@@H](O)Cn1ccccc1=O)c1cc(Cl)ccc1Cl 96124345 ALFTYANSLAGOBP-LLVKDONJSA-N 341.194 1.946 0 40 EDAB Cn1c(N2CCOCC2)nnc1S(=O)(=O)CCCC(C)(C)C 390833928 OZXNJQYPUHPQJU-UHFFFAOYSA-N 330.454 1.252 0 40 EDAB COc1nc(CNC(=O)c2ccccc2OC)nc(N2CCCC2)n1 575603335 DKDQGLOSPBMXES-UHFFFAOYSA-N 343.387 1.419 0 40 EDAB CO[C@H]1CCN(CC(=O)N2CCOCC2)C[C@H]1Cc1ccccc1 585270767 ALUJCFMLBFGNRR-MSOLQXFVSA-N 332.444 1.425 0 40 EDAB O=S(=O)(NCC[C@H]1CN(C2CCC2)Cc2cccn2C1)C1CC1 585095244 JDZPWERZECRLKH-CQSZACIVSA-N 337.489 1.944 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)CCc3ccno3)CCO2)c1 585277543 MWUUQUBLDYUJEP-LJQANCHMSA-N 344.411 1.748 0 40 EDAB Cc1cc(NC(=O)NCCC(=O)N2CCCC2)ccc1-n1cnnn1 58037726 LYTAZSUOWIVOOK-UHFFFAOYSA-N 343.391 1.105 0 40 EDAB O=C(Cn1cnnn1)N1CCCc2cc(Br)cc(F)c21 75582723 PRIMKMDNIGJZAX-UHFFFAOYSA-N 340.156 1.554 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)CCCc3nc(C)no3)CCO2)n1 76046086 MZZADRVUEQSRLE-GFCCVEGCSA-N 348.407 1.371 0 40 EDAB COC(=O)[C@H](CNC(=O)CSc1nccn1C)c1ccccc1 76041785 KMDFACANUNRNSE-CYBMUJFWSA-N 333.413 1.585 0 40 EDAB O=C(c1ccccn1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615156162 BJQGPYNWGQPOHT-DLBZAZTESA-N 336.432 1.616 0 40 EDAB O=C1O[C@H](C(=O)N2CCN(c3nccs3)CC2)Cc2ccccc21 11188011 MLDCBEUVQADJCB-AWEZNQCLSA-N 343.408 1.573 0 40 EDAB Cc1nccn1CCNC(=O)[C@@H]1ON=C(c2ccc(F)cc2)[C@@H]1C 12116879 ROVSJIPBIDNVTN-MEDUHNTESA-N 330.363 1.886 0 40 EDAB CCc1nc2ccccc2c2nn(CC(=O)NC(C)(C)C)c(=O)n12 19523253 QOOZGYPLLUTUJP-UHFFFAOYSA-N 327.388 1.521 0 40 EDAB CC(=O)N1CC[C@H](c2ccnc3c(CN4CCOCC4)c(C)nn23)C1 19707945 YQWYSJHKHLTADQ-HNNXBMFYSA-N 343.431 1.206 0 40 EDAB Cc1nc(CC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cs1 19746054 UAIWNLLGLREGSS-CYBMUJFWSA-N 345.490 1.314 0 40 EDAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)[C@@H]1CCOC1 238861584 KUDZUODSHFJRQQ-LLVKDONJSA-N 338.791 1.214 0 40 EDAB Cc1cc(=O)oc2cc(OC[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)ccc12 19912332 AGJBSEHSHCYFEH-RBSFLKMASA-N 347.411 1.950 0 40 EDAB CN1CCC[C@@H](C(=O)NCc2nnc3c(C(F)(F)F)cccn23)C1 575617316 SIPHRTPOVPGODX-SNVBAGLBSA-N 341.337 1.706 0 40 EDAB CCOc1ccc(C(=O)N2CC[C@@H](n3cc(COC)nn3)C2)cn1 585149667 IJAHMJHFYXNEGV-CQSZACIVSA-N 331.376 1.305 0 40 EDAB CCCCN(C)c1ccc(C(=O)N[C@@H](CO)c2nncn2C)cc1 585127638 GDAXYTCMFFRZEG-HNNXBMFYSA-N 331.420 1.515 0 40 EDAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)O[C@H]1CCOC1=O 5919342 QCGDXMNQMBRQNW-LBPRGKRZSA-N 347.348 1.207 0 40 EDAB NC(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)OCCO3)c1 20929803 UUTKGTQFXCGZJY-UHFFFAOYSA-N 327.340 1.878 0 40 EDAB O=C1NC(=O)c2ccccc2/C1=C\Nc1cccc2c1C(=O)NC2=O 23606015 AHAZSLDJLTVBTA-XYOKQWHBSA-N 333.303 1.293 0 40 EDAB COc1cnc(O[C@@H]2CCN(c3ccc(S(C)(=O)=O)cc3)C2)nc1 2086992543 AGYBKTFFALMDOQ-CYBMUJFWSA-N 349.412 1.546 0 40 EDAB O=C(CCc1ccc[nH]1)N1CCC2(CC1)C(=O)NCCN2CC1CC1 1565551398 DRCUKZXDPPMFSJ-UHFFFAOYSA-N 344.459 1.150 0 40 EDAB COCCN1CCC[C@@]12CCCN(C(=O)Cc1ccc(F)cn1)C2 1565546664 CDCKTODYSRPBDG-GOSISDBHSA-N 335.423 1.867 0 40 EDAB CN(C(=O)c1ccc2[nH]ccc2c1)C1CN(c2ccc3nncn3n2)C1 1565523796 WNGYJWXCISDLGQ-UHFFFAOYSA-N 347.382 1.566 0 40 EDAB O=C(COc1ccccc1)NCCn1nc(-c2ccco2)ccc1=O 8954616 ISHUXEKFLHQFOS-UHFFFAOYSA-N 339.351 1.699 0 40 EDAB COc1ccccc1C(=O)NCc1nnnn1-c1ccc(F)cc1 16973071 RKJHXFJTRHGSAM-UHFFFAOYSA-N 327.319 1.740 0 40 EDAB CC[C@@H]1S[C@H](CC)C(=O)N(CC(=O)NCc2ccccc2)C1=O 17269315 KWJGKAORLWOJJS-OKILXGFUSA-N 334.441 1.962 0 40 EDAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)c1ccco1 36708350 FTWPIUOAWARKTD-UHFFFAOYSA-N 340.426 1.530 0 40 EDAB O=C(NC[C@H](c1ccco1)c1cccs1)C(=O)Nc1ccon1 585146801 RAIUPZIXECVNRI-SNVBAGLBSA-N 331.353 2.216 0 40 EDAB CC(C)(C)NC(=O)CN1CCC(Oc2ccn3nccc3n2)CC1 2298094971 JBNFYACIQUJMDV-UHFFFAOYSA-N 331.420 1.487 0 40 EDAB O=C(NCC[C@H](O)c1cccs1)C(=O)Nc1ccc2c(c1)OCO2 77115474 KFABSRNMMQELQL-NSHDSACASA-N 348.380 1.655 0 40 EDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)c1ncnc2c1cnn2C 30577218 ZPYBCTVBXHCLID-UHFFFAOYSA-N 335.371 1.626 0 40 EDAB CNC(=O)NC(=O)COc1ccccc1I 31656531 UIOHXHPNUDIBLR-UHFFFAOYSA-N 334.113 1.126 0 40 EDAB CCN(CC)C(=O)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 40513727 YIHGPWIRPKRAKG-UHFFFAOYSA-N 333.392 1.909 0 40 EDAB COCc1cccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 40542764 DGPKEKRXLOMNTG-AWEZNQCLSA-N 340.445 1.234 0 40 EDAB COc1cccc(C[C@@H](C(=O)N[C@@H](C)C2CC2)n2nnnc2C)c1 40540202 SBXGPRMFNZWBAZ-ZBEGNZNMSA-N 329.404 1.689 0 40 EDAB CC(C)c1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cnn1-c1ccccn1 40513503 WJVFDUOPVLSLLB-LBPRGKRZSA-N 348.428 1.308 0 40 EDAB Cc1cc(CN(C)C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)no1 32169485 CVQXUBNJAJNIME-UHFFFAOYSA-N 341.371 1.708 0 40 EDAB Cc1ccc([C@](O)(CCNC(=O)c2cccc[n+]2[O-])C(F)(F)F)o1 52469976 GOJRJWGDKSFPGY-CQSZACIVSA-N 344.289 1.791 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)OCC(=O)C2CCCCC2)cc1 22391805 RSYPWVZYBRSIHT-UHFFFAOYSA-N 325.386 1.640 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)N(Cc2ccncc2)C2CC2)C1 42391055 ZUJOLULXMKIUJD-AWEZNQCLSA-N 337.445 1.244 0 40 EDAB COCCCNC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 23155411 UUMLAAVYYSSJNZ-UHFFFAOYSA-N 328.434 1.482 0 40 EDAB O=C(CN1CCc2sccc2C1)N1CCN(c2cnccn2)CC1 42574683 XNJAVFRDMNFCTD-UHFFFAOYSA-N 343.456 1.245 0 40 EDAB CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)OC2(C)C)nc1C 96117044 GDGMZTDIEGKKDD-MRVPVSSYSA-N 326.374 1.908 0 40 EDAB CN(CC(=O)N1CCC[C@@H](C(N)=O)C1)Cc1ccc(F)cc1F 25051285 OFKARCOWOXOHSL-GFCCVEGCSA-N 325.359 1.121 0 40 EDAB O=C(NC[C@H]1CC=CCC1)N1CCC(C(=O)N2CCOCC2)CC1 78523116 PYVBFJQZOIBGAP-HNNXBMFYSA-N 335.448 1.623 0 40 EDAB CC(C)c1cc(C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)on1 78900337 JKFKJSDFHQCRTM-JTQLQIEISA-N 331.376 1.640 0 40 EDAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC1=NCCS1 4171553 SFWFRSTXCFXZFI-DKHPWKACSA-N 335.473 1.927 0 40 EDAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCNS(=O)(=O)c1cccs1 107531608 YCIKYUQLOFCQDS-AVGNSLFASA-N 342.486 1.969 0 40 EDAB COc1ccc(N2C[C@H](NC(=O)c3ccco3)CC2=O)cc1OC 4497691 GQAMVRUKJZECQI-LLVKDONJSA-N 330.340 1.832 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)C1 12623576 ZZTZHLTWRONNBE-BETUJISGSA-N 342.436 1.951 0 40 EDAB Cc1cccc(-n2ncc(C(=O)NC[C@H]3CCS(=O)(=O)C3)c2C)c1 44724423 WYQULBHHGPPQSE-CQSZACIVSA-N 347.440 1.654 0 40 EDAB CC(C)c1ccccc1OC[C@H](O)CN1C(=O)[C@@H]2CCCN2C1=O 44891877 AVBMGQHVTOESNW-HIFRSBDPSA-N 332.400 1.976 0 40 EDAB O=C(N[C@H]1CCN2C(=O)c3ccccc3NC(=O)[C@H]12)C1CCCC1 8296568 JBEPTTXKWHJZIW-GJZGRUSLSA-N 327.384 1.528 0 40 EDAB biogenic,in-vitro Cc1cc(NC(=O)CN2C(=O)CN(C)C2=O)ccc1Br 3314598 JADLEOFCICIDLB-UHFFFAOYSA-N 340.177 1.590 0 40 EDAB CC[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(N)=O 58292824 GHLLGCRAGUGALX-VIFPVBQESA-N 347.322 1.917 0 40 EDAB COC(=O)[C@H](COC(=O)c1cnn2cccnc12)Cc1ccccc1 58289778 DQFSENGKNUHMPT-AWEZNQCLSA-N 339.351 1.918 0 40 EDAB Cc1cccc(N2CCN(CCNC(=O)[C@@H](C)n3cncn3)CC2)c1 44915408 IELMIGBCJRJHRH-MRXNPFEDSA-N 342.447 1.086 0 40 EDAB CCNC(=O)CN1CCN(c2cc(C)nc(-c3ccncc3)n2)CC1 58391642 DILFSPCVXCIOCL-UHFFFAOYSA-N 340.431 1.105 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1 11008397 WDAIKHZCMIGZLE-UHFFFAOYSA-N 349.412 1.398 0 40 EDAB C[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)cc1F 11010483 GVMFLPCEOASLAO-IUCAKERBSA-N 347.339 1.270 0 40 EDAB O=C(CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NC1CC1 36596507 UNNCAGOHGBUZQP-GFCCVEGCSA-N 345.355 1.099 0 40 EDAB O=C(NCc1ccc(-n2cncn2)cc1)c1cn(-c2ccccc2)nn1 45807869 NLCHOWUFDPWDFW-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB O=C(OC[C@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 45838559 JUNBHMSVOWZMAL-WCQYABFASA-N 333.340 1.490 0 40 EDAB CCN1C[C@@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1=O 46111576 KEMVTSPIXGPIQQ-ZDUSSCGKSA-N 342.399 1.291 0 40 EDAB C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)N1CCc2sccc2C1 46243826 GRLOCCWSSFWHDX-AAEUAGOBSA-N 342.486 1.046 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)N1CCc2sccc2C1 46243824 GRLOCCWSSFWHDX-WCQYABFASA-N 342.486 1.046 0 40 EDAB COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@]1(CO)O5 100393751 MBCREQDZNVPNRN-PNHOKKKMSA-N 341.407 1.787 0 40 EDAB biogenic,in-vitro CC(=O)N[C@H](CC(=O)NC[C@H](C)N1CCOCC1)c1cccs1 29961704 UNHJDEYPWMFYJI-GXTWGEPZSA-N 339.461 1.152 0 40 EDAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cn1 12542302 MJFLNALNWKSLBM-UHFFFAOYSA-N 341.414 1.411 0 40 EDAB COCc1cccc(CNC(=O)c2cccnc2N2CCOCC2)c1 48239719 VHVNQAXJHJFNAC-UHFFFAOYSA-N 341.411 1.995 0 40 EDAB O=C1CN(C(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)CCN1 100123957 JIUXFINONWPVSP-CLOTWAHHSA-N 340.379 1.005 0 40 EDAB CNC(=O)NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1 3490327 LQJSBUPJOFLVSY-UHFFFAOYSA-N 342.351 1.878 0 40 EDAB COc1ccccc1N1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 57711758 LZCIARZHVVZNSI-HNNXBMFYSA-N 333.432 1.112 0 40 EDAB COc1cc2cc(C(=O)NCCCN3CCOCC3)[nH]c2cc1OC 20567073 SDZUYEFGVXNHNR-UHFFFAOYSA-N 347.415 1.637 0 40 EDAB CN1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 38342162 KGALMZVJHJLFEU-UHFFFAOYSA-N 325.453 1.798 0 40 EDAB in-vitro O=C([C@H]1CCCOC1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 119374054 FTGUUXPDYRRBLJ-ZFWWWQNUSA-N 329.462 1.761 0 40 EDAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(N)=O 5260377 OVQRDQOQXREMCN-LLVKDONJSA-N 343.474 1.612 0 40 EDAB C[C@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)C[C@H]1CCCO1 65405158 QQBISOPPBJBVCG-DGCLKSJQSA-N 345.848 1.939 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCN(Cc2cc(C)on2)CC1 65437295 TUFRQLTUBKHOPK-UHFFFAOYSA-N 330.454 1.077 0 40 EDAB CCN(CC(=O)NCc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 65624604 ZIURYAITHJDXSN-GFCCVEGCSA-N 330.475 1.182 0 40 EDAB COc1ccc(OC[C@@H](O)CN2C(=O)CC3(CCCC3)C2=O)cc1 14253990 WRANMNBVNWWTGD-ZDUSSCGKSA-N 333.384 1.754 0 40 EDAB COCCC(=O)N1CCC[C@H](c2nccnc2Nc2ncccn2)C1 72362409 UTAXISRBPQWYNR-ZDUSSCGKSA-N 342.403 1.753 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCN(Cc2cncs2)CC1 95982856 IOYCIYXVTWAKSR-UHFFFAOYSA-N 327.413 1.977 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnnn2C)c1C 4807733 GDPXGENGWHAZPR-VIFPVBQESA-N 337.405 1.695 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)Cn2ncc(=O)c3ccccc32)cn1 71796887 QUZMRBLSAHIRTM-HNNXBMFYSA-N 337.383 1.494 0 40 EDAB CN1C(=O)Cc2cc(S(=O)(=O)NCc3ccccc3F)ccc21 4938109 WIQUTCMFAPSNBY-UHFFFAOYSA-N 334.372 1.823 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408601863 CACAMVSFVIEGBX-UWVGGRQHSA-N 348.852 1.930 0 40 EDAB CCN(CC(=O)NCc1cccs1)CC(=O)Nc1cc(C)on1 5936868 ZOLBMRHUYASMEG-UHFFFAOYSA-N 336.417 1.621 0 40 EDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NC1CCCCCC1 7136682 PUEWEAMJPIDAQR-UHFFFAOYSA-N 329.400 1.919 0 40 EDAB Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCC[C@@H]1c1cnn(C)c1 71856848 WHSMKJIGDAMWOK-LLVKDONJSA-N 343.416 1.947 0 40 EDAB CCOc1ccccc1C1=CCN(CC(=O)N2CCNC(=O)C2)CC1 71841183 GZPMQXLYSNAXOT-UHFFFAOYSA-N 343.427 1.133 0 40 EDAB Cc1ccc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)c(O)c1 7451001 PDQOQQJPTJXWGU-UHFFFAOYSA-N 334.250 1.246 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CCCO2)cc1 68113101 GRQVDWWOMVVWKO-UONOGXRCSA-N 336.413 1.714 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 71881825 SGIZBTKHSHJKAF-SFHVURJKSA-N 342.443 1.460 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1ccc(CNC(C)=O)o1)C2 71860297 ANNCWCBOXDHNQM-UHFFFAOYSA-N 343.387 1.336 0 40 EDAB CC(C)(C)n1ncc(C(=O)N2CCNC(=O)CC2)c1C(F)(F)F 71839510 NNRMVPQBFOXHJS-UHFFFAOYSA-N 332.326 1.619 0 40 EDAB CC(C)NC(=O)CNC(=O)COc1ccc(Br)cc1 8166268 BPGBQIOMSOXKDL-UHFFFAOYSA-N 329.194 1.469 0 40 EDAB Cc1nc(CC(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)cs1 70004235 AVVCYOMJAPXQRW-CQSZACIVSA-N 325.478 1.545 0 40 EDAB COc1ccnc(N2CCN(C(=O)CCn3nc(C)cc3C)CC2)n1 69351960 RPEQAYNCJCVHOH-UHFFFAOYSA-N 344.419 1.037 0 40 EDAB Nc1cc(N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)ncn1 91444957 QRQVLBMSCXXHAU-QGZVFWFLSA-N 331.420 1.057 0 40 EDAB COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=S)n(C)c1=O)NCC2 17044600 OYHJUYUMNLUKSG-ZDUSSCGKSA-N 349.412 1.401 0 40 EDAB biogenic Cc1cnn(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)c1 69421166 SBIWHYOVMSZBJP-INIZCTEOSA-N 326.400 1.198 0 40 EDAB C[C@@H](NC(=O)NCC(C)(C)c1ccc2c(c1)OCO2)c1nncn1C 69435119 LZPXZSRPINKHTC-LLVKDONJSA-N 345.403 1.882 0 40 EDAB CCNC(=O)N[C@@H]1CN([C@@H](C)c2nc(C(C)(C)C)no2)C[C@@H]1OC 69631454 ZGGOFLBEGUUYLQ-TUAOUCFPSA-N 339.440 1.446 0 40 EDAB CCc1nc(CN2CCCN(C(=O)c3nccnc3N)CC2)cs1 69776431 DOHRUKCDBXKPSM-UHFFFAOYSA-N 346.460 1.426 0 40 EDAB O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc2[nH]nnc2c1 69769531 KSOALECOPFCHLP-HNNXBMFYSA-N 335.367 1.883 0 40 EDAB CC(C)(C)[S@](=O)CCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 71900272 PDJRJRMQLMQAMQ-XMHCIUCPSA-N 328.478 1.298 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H](CN[C@@H]2CCCCNC2=O)C1 69873666 VPTBMXWJIHONIO-UONOGXRCSA-N 325.453 1.892 0 40 EDAB C[C@@H]([C@@H](C)N(C)C(=O)Cc1cnn(-c2ccccc2)c1)S(C)(=O)=O 69844143 PXSGXVJZFJQRBV-KGLIPLIRSA-N 349.456 1.695 0 40 EDAB CS(=O)(=O)NCCC(=O)Nc1cnn(-c2ccccc2Cl)c1 69809634 SQWPBGLTTJBLQN-UHFFFAOYSA-N 342.808 1.404 0 40 EDAB CC(C)CCC(=O)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 306125100 CGYLCLYGFHQXKP-OAHLLOKOSA-N 343.489 1.865 0 40 EDAB Cc1cnn(CC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1 69947309 UJLQGPUQNJRFID-KRWDZBQOSA-N 328.416 1.069 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)COc1ccccc1)C2=O 8728882 XOEXPBCLELPINJ-UHFFFAOYSA-N 331.372 1.597 0 40 EDAB Nc1nccnc1C(=O)OCC(=O)NCCCSc1ccccc1 19143449 OTJNEKXVRTZBCC-UHFFFAOYSA-N 346.412 1.514 0 40 EDAB COc1c(C(=O)NCCc2nc[nH]n2)sc(C)c1Br 84008280 AGAKVXLOHQWADH-UHFFFAOYSA-N 345.222 1.918 0 40 EDAB C[C@@H](NC(=O)NCCC(=O)N1CCOCC1)[C@H](C)c1ccccc1 83184844 CBMGYLIANAVYCT-LSDHHAIUSA-N 333.432 1.727 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2cnn(C)c2)c1 27919673 YGVTXJRUWASJPC-SNVBAGLBSA-N 325.390 1.477 0 40 EDAB Cc1cc(C)c(CNC(=O)N2CCN(c3nccs3)CC2)c(=O)[nH]1 72233918 GMJKMWGQJGLVNR-UHFFFAOYSA-N 347.444 1.480 0 40 EDAB CC(C)(C(=O)N1CCN([C@H]2CCCCNC2=O)CC1)c1ccccc1 72297836 AJZMPURZCPRSIS-KRWDZBQOSA-N 343.471 1.777 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@H](C)Cc3c(C)noc3C)CCO2)n1 89289700 XQRSDTICUGIIIG-YGRLFVJLSA-N 347.419 1.751 0 40 EDAB C[C@@H](C(N)=O)N1CCN(Cc2cn(C)nc2-c2ccccc2)CC1 97033948 YMYXTKBYTWTTQP-AWEZNQCLSA-N 327.432 1.079 0 40 EDAB c1nc(N2CCOC3(CCC3)C2)cc(N2CCOC3(CCC3)C2)n1 97163652 GHDHZYMAMQCSCL-UHFFFAOYSA-N 330.432 1.995 0 40 EDAB C[C@H](NS(=O)(=O)c1cnn(C)c1)c1cccc(-n2cccn2)c1 74973108 HUJJMZBGSRBTPE-LBPRGKRZSA-N 331.401 1.645 0 40 EDAB CN(C)c1cc(CNC(=O)N2CCC[C@H]2CO)c2ccccc2n1 74928143 CONYTINVALZGEV-AWEZNQCLSA-N 328.416 1.967 0 40 EDAB COc1cc(NC2CCN(CCn3cncn3)CC2)cc(OC)c1 89424028 KHYPCKSZGWQATH-UHFFFAOYSA-N 331.420 1.872 0 40 EDAB O=C1CN(C(=O)COC(=O)c2ccccc2-c2ccccc2)CCN1 84562785 FXDJPMSVAQGEBL-UHFFFAOYSA-N 338.363 1.469 0 40 EDAB O=C(O)c1cccc(CNC(=O)C2CCN(c3cnccn3)CC2)c1 95463534 FLSDVBZURKORBD-UHFFFAOYSA-N 340.383 1.708 0 40 EDAB Cc1c(C(=O)OCC(=O)NC2CCCC2)cnn1-c1ccncc1 95445430 HEADLVJBSDKMIH-UHFFFAOYSA-N 328.372 1.791 0 40 EDAB CC1(C)CN(C(=O)[C@@H](N)CCS(C)(=O)=O)C[C@@H]1c1ccccc1 95466876 JTKGIKSJTQESSV-CABCVRRESA-N 338.473 1.401 0 40 EDAB COc1ccccc1CNC(=O)[C@H](C)OC(=O)c1ccncc1N 95451094 RLSSMPKIRISGOD-NSHDSACASA-N 329.356 1.534 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)C[C@@H]1N(C)C 84735543 YNSVUIRFMRPWLM-CJNGLKHVSA-N 328.416 1.195 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N(C)Cc1ccccc1C(=O)OC 75141322 DZIJRMNSUGBTOD-GFCCVEGCSA-N 341.429 1.645 0 40 EDAB Cc1ccc(C(=O)N(CCc2ccccc2)CCN(C)C)c(=O)[nH]1 75122133 WWOCVKVTDVZVSO-UHFFFAOYSA-N 327.428 1.930 0 40 EDAB Cc1cc(CN(C)C(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)no1 89601059 MAOVKOAHGBHZIY-INIZCTEOSA-N 343.383 1.369 0 40 EDAB Cc1nc(COc2ccc(C(=O)N3CCN(C)C[C@@H]3C)cc2)no1 89718410 RWUSLEZJQQTXSN-LBPRGKRZSA-N 330.388 1.733 0 40 EDAB O=C(NCCCc1nnc2ccccn12)N[C@@H]1CCC[C@H]2OCC[C@H]12 89878857 MYJFEQGGEDFYGM-RBSFLKMASA-N 343.431 1.919 0 40 EDAB O=C(NC[C@H]1COCCO1)[C@@H]1CCCN1C(=O)NC1CCCCC1 89818433 KRRQXWKZYRRGGI-GJZGRUSLSA-N 339.436 1.025 0 40 EDAB COc1ccc([C@@H](CNC(=O)N[C@@H](C)Cn2cccn2)N(C)C)cc1 89904367 GYDTUFJTAJJEMD-WMLDXEAASA-N 345.447 1.882 0 40 EDAB CN1CC[C@@H](COCC2CC2)CC12CN(c1ccc3nncn3n1)C2 306127029 FLWZUDHDNSWFEY-OAHLLOKOSA-N 342.447 1.452 0 40 EDAB O=C1NC(=S)N/C1=C/c1cc(Br)c(N2CCCC2)o1 408842844 CFIXLIYESLWTEQ-RMKNXTFCSA-N 342.218 1.988 0 40 EDAB Cn1cnc([C@@H]2CN(C(=O)NCc3cccc(F)c3F)C[C@H]2N)c1 1553515933 HDAYQEKTMCMCRA-DGCLKSJQSA-N 335.358 1.335 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCCOc2ccc(F)cc2)cs1 550858580 BJURIERMOZHVOR-UHFFFAOYSA-N 345.373 1.943 0 40 EDAB CCNc1nc(NCC)n2nc(SCC(=O)OCC)nc2n1 35682786 ZAGKSVVNBKPAPF-UHFFFAOYSA-N 325.398 1.038 0 40 EDAB CC(C)(C)C(=O)N1CCN(c2ccc(-n3cnnc3)cc2N)CC1 70461869 NRPUPYZGZRLFJG-UHFFFAOYSA-N 328.420 1.544 0 40 EDAB CCNC(=O)NC1CCC(OC(=O)CN2CCCCCC2=O)CC1 78442433 VHROWERDRYUXNC-UHFFFAOYSA-N 339.436 1.563 0 40 EDAB CC(C)NC(=O)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 32093139 BZSDBQUDFWGRCX-ZDUSSCGKSA-N 339.417 1.133 0 40 EDAB CNC(=O)c1ccc(N2CCN(c3ccc(Cl)cc3)CC2)nn1 74743666 XVOGHIXWEIJHBD-UHFFFAOYSA-N 331.807 1.816 0 40 EDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCCn2cccn2)cc1 76876929 RBPVHJXZOUBRAF-INIZCTEOSA-N 327.384 1.926 0 40 EDAB Cc1nc(C(C)(C)NC(=O)NCCN2CCOCC2)sc1C 77538225 FRPXSMKQZWVCJX-UHFFFAOYSA-N 326.466 1.626 0 40 EDAB NC(=O)[C@H]1CCCN(CCCNC(=O)C[C@H]2CCc3ccccc32)C1 79361715 KKEWOAHSFBNUIX-SJORKVTESA-N 343.471 1.810 0 40 EDAB CC(=O)N1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 71802062 NEQVIJSGGGVBMH-UHFFFAOYSA-N 336.335 1.649 0 40 EDAB Cn1ncc2c(N3CCC(OCc4ccccc4)CC3)nc(N)nc21 565224040 YBYBNHXTTLVYSH-UHFFFAOYSA-N 338.415 2.131 0 40 EDAB O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)N1CCOCC1 88418802 MOVYKPPDYRDCMA-UHFFFAOYSA-N 331.347 1.900 0 40 EDAB Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1scnc1C(=O)O 566172211 ATBNLIMLJQCZOW-ZCFIWIBFSA-N 345.402 1.528 0 40 EDAB COc1ccccc1C(=O)N1CCCC[C@H]1c1cc(C(N)=O)[nH]n1 225553136 TWLJZJVIHNDSKM-AWEZNQCLSA-N 328.372 1.885 0 40 EDAB O=C(COc1ccn(-c2ccccc2)n1)NCCCn1ccnc1 226853536 FLJGZFASBAWMEO-UHFFFAOYSA-N 325.372 1.654 0 40 EDAB COc1cc(OC)cc([C@H](C(=O)O)N2CCC[C@H](n3ccnn3)C2)c1 575755494 QLXHYQDDTDSVJC-XJKSGUPXSA-N 346.387 1.758 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)c1 224190044 XCPWWMCTMMOWOT-UHFFFAOYSA-N 334.445 1.946 0 40 EDAB CSc1ccc(CNC(=O)[C@@H]2CCc3nn(C)c(=O)cc3C2)cc1 225741737 XPQSTXSTOVQTSY-CYBMUJFWSA-N 343.452 1.924 0 40 EDAB O=C(NCCN1CCOCC1)NCc1coc(-c2ccccc2)n1 80565427 XOSBXJJSTNVYCZ-UHFFFAOYSA-N 330.388 1.473 0 40 EDAB Cn1cc(C[C@@H]2CCN(C(=O)NCCc3cccc(O)c3)C2)cn1 96446110 SDHDQTOOQXVEAZ-HNNXBMFYSA-N 328.416 1.942 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@@H]2CCc3nn(C)c(=O)cc3C2)cc1 238971220 ZKTGPVLLBRIJNL-CYBMUJFWSA-N 325.368 1.727 0 40 EDAB Cc1oncc1C(=O)N[C@@H]1CN(Cc2ccoc2)C[C@@H]2CCCO[C@@H]21 97953476 SRGGPLQNNUNFDV-UAGQMJEPSA-N 345.399 1.985 0 40 EDAB Cn1c(CNC(=O)[C@@H](c2ccccc2)n2cnnn2)nc2ccccc21 95475235 MSRKYUSTJVIYND-QGZVFWFLSA-N 347.382 1.466 0 40 EDAB Cc1occc1C(=O)N1CCn2c(CNC(=O)C3CC3)cnc2C1 96061931 IMTPBLKWFRRTHX-UHFFFAOYSA-N 328.372 1.467 0 40 EDAB Cc1noc(-c2ccc(C(=O)N[C@@H]3CCc4nnc(C)n4C3)cc2)n1 97198855 QCOIHHHNJWVXKH-CQSZACIVSA-N 338.371 1.690 0 40 EDAB Cn1c(N)nnc1SCC(=O)N(Cc1ccccc1F)C1CC1 96447911 UKSDUYHNLADBAI-UHFFFAOYSA-N 335.408 1.820 0 40 EDAB COc1ccc(Cl)cc1C(=O)NC[C@H](O)Cn1ccccc1=O 96124349 KMECEBXLULIEIB-LBPRGKRZSA-N 336.775 1.301 0 40 EDAB CC(C)N(C)C[C@H]1CN(C(=O)c2cscn2)Cc2nccn2C1 96188314 BVWMNALAGXDIIZ-CYBMUJFWSA-N 333.461 1.952 0 40 EDAB CC(C)Oc1ccccc1C(=O)N1CCC[C@@](O)(c2cnn[nH]2)C1 583619038 ZAGZMEXAYRDLDB-KRWDZBQOSA-N 330.388 1.716 0 40 EDAB Cc1nc(C(=O)N[C@H]2CC[C@H](C(F)(F)F)N(C)C2)c(=O)[nH]c1C 583619699 KVRLKFXONSZQAU-VHSXEESVSA-N 332.326 1.142 0 40 EDAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccccn3)CC[C@@H]21 96185646 GHAWHSSZFSMMCJ-NJAFHUGGSA-N 340.431 1.185 0 40 EDAB CCOC(=O)Cc1sc(N)nc1CN1C(=O)c2ccccc2C1=O 98086626 CVANGDSGNRDSOJ-UHFFFAOYSA-N 345.380 1.627 0 40 EDAB O=C([C@@H]1CCC2(CCN(S(=O)(=O)C3CC3)CC2)O1)N1CCCC1 96061268 QBDRHEYQOBZNGR-AWEZNQCLSA-N 342.461 1.115 0 40 EDAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C2 585122144 OMSIXAOMJFUGAH-CQSZACIVSA-N 336.480 1.135 0 40 EDAB CC[C@H](C)Oc1cc(-c2nc(CS(=O)(=O)NC)no2)ccn1 585120545 URMYKSVNKDNZMN-VIFPVBQESA-N 326.378 1.358 0 40 EDAB C[C@H](O)CN(C)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 585114170 ZNJISLXYUFRZSX-QWHCGFSZSA-N 342.436 1.242 0 40 EDAB CC(C)CN1CC2(CN(Cc3ccccc3)C[C@@H]3COCCN32)C1 604381854 ROGVETTYDZOMHR-LJQANCHMSA-N 329.488 1.913 0 40 EDAB biogenic,in-vitro Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H]1COCCN1CC(F)(F)F 252551737 UGHXREVOMCJWCS-SKDRFNHKSA-N 349.353 1.774 0 40 EDAB C[C@H]1Oc2cc(S(=O)(=O)NCc3ccccc3)ccc2NC1=O 252488951 JCOHVBZCMGKSDE-LLVKDONJSA-N 332.381 1.885 0 40 EDAB CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C3COC3)CCN21 253405520 SOBDAPVMUXHEDG-AWEZNQCLSA-N 347.434 1.445 0 40 EDAB biogenic,in-vitro Cn1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)cn1 257256321 KKZHNRXULPXNNK-YOEHRIQHSA-N 340.431 1.309 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCOC[C@H]1CCc1cnccn1 257285368 PGTFJFREPUIMLX-QGZVFWFLSA-N 347.440 1.640 0 40 EDAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)Cc1cccs1 257317357 VJLJRAJUDWDWGU-INIZCTEOSA-N 332.429 1.180 0 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CN(C)c1ncnc2c1CN(C[C@H](O)COCc1cccs1)CC2 97200420 JBPJHGRIMHHJEH-ZDUSSCGKSA-N 348.472 1.540 0 40 EDAB Cc1ccc(N2CCO[C@@H]3CN(C(=O)[C@H]4CCCO4)CC[C@@H]3C2)nn1 96249816 CFJQXJMXRSUJAR-BZUAXINKSA-N 346.431 1.018 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2n[nH]c(C(C)C)n2)n[nH]1 95475041 ITUQPAIAKDHGDG-UHFFFAOYSA-N 328.380 1.921 0 40 EDAB CCOC[C@@H]1CCN(C(=O)NCc2ccc(-n3ccnc3)nc2)C1 96448360 SLWBQHPLBOXDDI-OAHLLOKOSA-N 329.404 1.835 0 40 EDAB COc1cccc(CN2CC[C@]3(C[C@@H](OCC(=O)N(C)C)CO3)C2)c1 96205909 OCJMUNOWGGGGGL-MJGOQNOKSA-N 348.443 1.533 0 40 EDAB CN1CCN([C@@H]2CCN(C[C@@H]3CCOC3)[C@H]2Cc2cccnc2)CC1 96070040 HARQSXIXHFXPSW-ZCNNSNEGSA-N 344.503 1.351 0 40 EDAB COc1cc(N2C[C@@H]3COC[C@]3(c3nnc(C4CC4)o3)C2)ncn1 96208802 JHFSYPMSNPFUJV-BDJLRTHQSA-N 329.360 1.150 0 40 EDAB COCCN1CC2(CCN(C(=O)N3CCCC3)CC2)C[C@H]1COC 96208648 PNFISYCSSXKOJV-INIZCTEOSA-N 339.480 1.652 0 40 EDAB O=C([C@@H]1CCOC1)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 96245327 CFVSUQLMMTUZID-FMKPAKJESA-N 332.375 1.279 0 40 EDAB CCN1C[C@@H]2[C@@H](OC)CCN(C(=O)Cc3cccc(OC)c3)[C@@H]2C1 96109403 LCXQWQZDOBIRPL-KSZLIROESA-N 332.444 1.805 0 40 EDAB O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCS(=O)(=O)C1 96407380 NUEFKEGZDJXSIW-OCCSQVGLSA-N 340.420 1.345 0 40 EDAB CCCC(=O)N1CCc2ncc(CN(C)Cc3cncnc3)n2CC1 96197140 KIRIPRASXWECMP-UHFFFAOYSA-N 342.447 1.490 0 40 EDAB CCCS(=O)(=O)N1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 96042220 JQGCIPXRKQWCRR-HRCADAONSA-N 340.445 1.570 0 40 EDAB Cc1cc(CN2CC3(C2)OCC[C@H]3COCC(=O)N2CCCC2)no1 247918231 NFAUPGQLBFBOIF-HNNXBMFYSA-N 349.431 1.213 0 40 EDAB CN(C)C[C@@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2ccnn21 248155314 YWGALJNHJSULDD-MRXNPFEDSA-N 348.472 1.405 0 40 EDAB COCCNC(=O)c1cn2c(n1)[C@H](C)N(Cc1nc(C)cs1)CC2 247979542 WQLDWVKTELIHLL-LBPRGKRZSA-N 349.460 1.601 0 40 EDAB NC(=O)[C@@H]1CCCN(CCCNC(=O)C[C@H]2CCc3ccccc32)C1 245316730 KKEWOAHSFBNUIX-IAGOWNOFSA-N 343.471 1.810 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)CC2CC2)C1 257260929 LFBYUTONQNICKY-LBPRGKRZSA-N 325.434 1.394 0 40 EDAB CN(C[C@@]1(O)CCN(c2ccccn2)C1)C(=O)c1n[nH]c2c1CCC2 257241295 HXNFJDCRPKHQGA-SFHVURJKSA-N 341.415 1.007 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@H](Cc2nccnc2NC)C1 257210907 BWQCRSMUXGAFFR-CYBMUJFWSA-N 341.481 1.359 0 40 EDAB COc1ccc(CN2CCN(C)C[C@@H](C(=O)N(C)C)C2)c(OC)c1 257325045 WRFCAPGVSLFJFU-OAHLLOKOSA-N 335.448 1.156 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)CCCc2ccncc2)n1 257306943 SWQUSSKERGAWIK-INIZCTEOSA-N 342.399 1.808 0 40 EDAB O=C(CCOc1ccccc1)N1CCOC[C@@H](Cc2ccncn2)C1 257218077 DBUKWXIDXDVJRI-INIZCTEOSA-N 341.411 1.963 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)CN3CCCCC3)CCO2)n1 257253803 KAIYYPJZFSXNGJ-MRXNPFEDSA-N 332.448 1.533 0 40 EDAB Cc1n[nH]c(C)c1-c1cncc(C2CCN(S(C)(=O)=O)CC2)n1 257200952 AFMNTWXECINEEB-UHFFFAOYSA-N 335.433 1.623 0 40 EDAB O=C(CN1CCOCC1)N1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1 257259200 KXHPFBWZMQFCTP-QGTPRVQTSA-N 348.418 1.774 0 40 EDAB O=C(NCCc1ccco1)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 585122031 KXCOLUFIAZOCIC-ZFWWWQNUSA-N 343.301 1.749 0 40 EDAB Cc1cccc(C[C@H]2COCCN(C(=O)CN3CCCCC3)C2)n1 257267776 MISCLGXOQQNIGZ-QGZVFWFLSA-N 331.460 1.893 0 40 EDAB COCCOc1cccc(C(=O)NCc2nnc(O)n2C2CC2)c1 585130334 NDSHLRNVMKDKLL-UHFFFAOYSA-N 332.360 1.274 0 40 EDAB O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCOC[C@H]1c1nn[nH]n1 585134402 QQXHROSMSCEDMP-LOWVWBTDSA-N 333.779 1.557 0 40 EDAB Cc1ocnc1C(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 257244009 IJMCDIPRSXVAKC-INIZCTEOSA-N 334.351 1.278 0 40 EDAB Cc1cncc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)[C@@](C)(O)CO3)c1 257278837 ODVWHEUUCOINFO-WMZOPIPTSA-N 347.459 1.466 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cnoc2C)c(C)c1OCC(=O)O 350297977 ARLLMIBHVZKFGD-UHFFFAOYSA-N 340.357 1.864 0 40 EDAB O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CC(n2ccnc2)C1 603917015 YRPITFLQVGRLRM-KRWDZBQOSA-N 338.411 1.500 0 40 EDAB CCOC(=O)c1c(NC(=O)CS(C)(=O)=O)sc2c1CCC2 604295335 DCNQPYHOKAVCMW-UHFFFAOYSA-N 331.415 1.397 0 40 EDAB Cn1ccc([C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 390829686 FXUIAESVPODWMU-CYBMUJFWSA-N 340.383 1.734 0 40 EDAB CO[C@H]1CCCN(C(=O)/C=C/c2ccnn2C)[C@H]1CCC(=O)N(C)C 585289818 OAQHAOADZPOMGL-GFXFGIRVSA-N 348.447 1.308 0 40 EDAB O=C(c1csnn1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 585108841 SWRJTBIMNRHIHG-SOUVJXGZSA-N 346.412 1.522 0 40 EDAB CN(C)C(=O)C[C@]1(O)COCCN(Cc2ccnc3ccccc23)C1 585280663 MWBNTZJFFFCBKO-LJQANCHMSA-N 343.427 1.276 0 40 EDAB O=C(Cc1ccccn1)N1CCC2(CC1)CC(=O)N(CC1CC1)C2 585099734 HOJAXTUDFAYSAX-UHFFFAOYSA-N 327.428 1.875 0 40 EDAB CCOCC(=O)N1CCc2ncc(-c3ccccc3OC)n2CC1 585111439 UHHVUYDMBXTMAK-UHFFFAOYSA-N 329.400 1.980 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1ccc(OC)cc1)C2 585103206 NDXUKINIIQVEGC-OAHLLOKOSA-N 339.457 1.721 0 40 EDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2n[nH]cc2Cl)C1 585275971 CBBAFBCBMOMKHP-AWEZNQCLSA-N 328.800 1.211 0 40 EDAB CC(=O)c1csc(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)c1 672306426 IMWFUENLKDWJRC-UHFFFAOYSA-N 335.385 1.201 0 40 EDAB CO[C@@H]1[C@H](C)[C@H](NC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)C12CCC2 685938922 HYLQRGONZXIUDO-MQLXINIDSA-N 344.477 1.455 0 40 EDAB Cc1ccc(C(=O)NCC(=O)N2CCC(N3CCCC3)CC2)s1 65530121 FHZFBRPBQVXGHE-UHFFFAOYSA-N 335.473 1.873 0 40 EDAB COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C(C)C)N1CCOCC1 65568557 PPSWJWKTVDZRKW-GJZGRUSLSA-N 343.468 1.230 0 40 EDAB O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1CCC2(CC1)OCCO2 56636670 UPMIISDKSDACPF-HNNXBMFYSA-N 334.347 1.684 0 40 EDAB Cc1cc(=O)n(CC(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)cn1 1565522198 VAQWKIBPOLHGFG-KBPBESRZSA-N 327.388 1.143 0 40 EDAB CN(C)S(=O)(=O)CC(=O)NCCc1ccc(C(C)(C)C)cc1 97372331 FPBUQBYATSZEKP-UHFFFAOYSA-N 326.462 1.534 0 40 EDAB Cc1nnc([C@H]2COCCN2C(=O)[C@@H]2Cc3cc(F)ccc3O2)o1 583623238 ZLBZAQQGBTUNPM-OCCSQVGLSA-N 333.319 1.421 0 40 EDAB O=C(c1ccoc1)N1CCN(C(=O)[C@H]2CCc3cccc(O)c32)CC1 1615599507 XABKADLYOWBQPW-HNNXBMFYSA-N 340.379 2.000 0 40 EDAB O=C(NCc1nnc2n1CCOCC2)Nc1nsc2ccccc12 1615588688 CVTQURSQXPOWJY-UHFFFAOYSA-N 344.400 1.782 0 40 EDAB CC[C@@H]1CN(C(=O)c2cccs2)[C@H](CO)[C@@H]1CN1CCOCC1 1772594898 FDQOXSQLFDUASI-RBSFLKMASA-N 338.473 1.539 0 40 EDAB COC(=O)[C@@]1(O)CC(C)=NN1C(=O)c1ccc(Br)cc1 5416565 ZZZZGVBJQRJQTI-ZDUSSCGKSA-N 341.161 1.533 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585645 AFSHBDWHFQGTFH-GFCCVEGCSA-N 342.442 1.802 0 40 EDAB CCn1nnnc1SC[C@@H](O)COc1ccc(C(=O)OC)cc1 14238482 AAMPVZJKJQOUPS-NSHDSACASA-N 338.389 1.012 0 40 EDAB Cc1nn(C(C)C)cc1S(=O)(=O)NCCCn1ccnc1C 19583318 PSTKXAJGAPSANV-UHFFFAOYSA-N 325.438 1.646 0 40 EDAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCOCC1 11613649 AZXVVJPUZKNSRZ-LLVKDONJSA-N 335.429 1.018 0 40 EDAB Cn1c(N2C[C@@H]3CN(S(=O)(=O)C4CC4)C[C@H]3C2)nc2ccccc21 1888869665 JZKNHDPUNFPTCN-CHWSQXEVSA-N 346.456 1.434 0 40 EDAB O=S(=O)(N[C@H]1CCCN(c2cnc3ccccc3n2)C1)C1CC1 1889136210 CAHPUROVMQMXMG-LBPRGKRZSA-N 332.429 1.680 0 40 EDAB O=C(Nc1ccc(F)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 18182252 DZJSXQDWVMYOOR-AWEZNQCLSA-N 341.408 1.162 0 40 EDAB CS(=O)(=O)N1CCCN(Cc2cc(F)cc3c2OCOC3)CC1 24925132 UQOBFARFSQLNMC-UHFFFAOYSA-N 344.408 1.160 0 40 EDAB CCCCNC(=O)C1CCN(Cc2nnnn2-c2ccccc2)CC1 29927670 VYZPFFIQAWARIW-UHFFFAOYSA-N 342.447 1.791 0 40 EDAB O=C(c1cc[nH]c1)N1CCCn2nnc(CN3CCCCC3)c2C1 1565544193 FUVRSMAEFUAHON-UHFFFAOYSA-N 328.420 1.638 0 40 EDAB O=C(c1cccs1)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565541974 IZJOZISVWODOES-GJZGRUSLSA-N 329.425 1.869 0 40 EDAB CN(C)c1ccc(NC(=O)C[C@@H](NCc2ccccn2)C(=O)O)cc1 352263 JXNSKSRSHWHDBH-MRXNPFEDSA-N 342.399 1.719 0 40 EDAB O=C(NCc1ccco1)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055715747 GBTHBVUYRHWRIC-LBPRGKRZSA-N 342.399 1.637 0 40 EDAB Cc1cccc(CN2CCC[C@@](C(=O)N(C)C)(n3cccn3)C2)n1 2055772564 WEJIVNLQBXTUGK-GOSISDBHSA-N 327.432 1.666 0 40 EDAB COCCN1CCOC[C@@]2(C1)CN(CC1CCCCC1)CCO2 2055816059 MQLGCKYNRMAZKG-GOSISDBHSA-N 326.481 1.616 0 40 EDAB CN1CCN(/C(=C/n2ccccc2=O)OC(=O)c2ccccc2)CC1 22078641 INHRXKVOVVAJIH-SDXDJHTJSA-N 339.395 1.709 0 40 EDAB Cc1nn(CCNS(=O)(=O)N(C)C)c(C)c1-c1cccs1 575612535 GUWQWHSNIGEWFL-UHFFFAOYSA-N 328.463 1.624 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H](C)N2CCOCC2)cc1C 30338045 PXHNUDOPEMZRNM-CYBMUJFWSA-N 328.434 1.003 0 40 EDAB COc1ccc(C(=O)NC[C@H](O)COc2ccccc2OC)cc1 307790 VOODAQHZCPMAOU-AWEZNQCLSA-N 331.368 1.874 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cccc2cn[nH]c12 24685823 RMYKDKPDRCCKOK-GFCCVEGCSA-N 336.417 1.107 0 40 EDAB Cn1ccs/c1=N\C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24818743 TUHXPEAHJDSQPC-VDMFXUGISA-N 331.397 1.945 0 40 EDAB CCn1nc2c(cc1=O)CN(C[C@H](O)COCc1cccs1)CC2 78613465 XVLZKNUDCHFMME-AWEZNQCLSA-N 349.456 1.261 0 40 EDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N(C)Cc2cnccn2)o1 78880938 KJZQECUTMAVLNX-CQSZACIVSA-N 336.417 1.892 0 40 EDAB Cn1cc([C@H](O)CNC(=O)NCc2csc(C(C)(C)C)n2)cn1 78940899 HASRPVWSWAVSLD-GFCCVEGCSA-N 337.449 1.707 0 40 EDAB COC(=O)c1cc(-c2cccs2)c2c(=O)n(C)c(=O)n(C)c2n1 1425656 HQARCXFTGRZIRQ-UHFFFAOYSA-N 331.353 1.147 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(c2nccc(N3CCCC3)n2)CC1 95396562 JOEXEIQOMVRTAW-OAHLLOKOSA-N 346.479 1.112 0 40 EDAB CC[C@@H]1CN(CC(=O)N(C)Cc2cccs2)CCN1C[C@H](C)O 106908729 VFUGHSYGQYSFCS-LSDHHAIUSA-N 339.505 1.484 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1ccc(=O)n(CCOc2ccccc2)n1 25705008 OAHWYLQQHREEMN-HNNXBMFYSA-N 343.383 1.231 0 40 EDAB CCCN(C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 107325731 MZNHBZVYHIIWDT-IGQOVBAYSA-N 330.519 1.949 0 40 EDAB C[C@H]1CN(C(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)CCO1 25816236 JOKMNJVUBXUOKH-GJZGRUSLSA-N 343.431 1.507 0 40 EDAB CN(C(=O)C1CC1)c1ccccc1C(=O)N[C@H]1CCCCNC1=O 56978672 OYPAWMLJLYWILE-AWEZNQCLSA-N 329.400 1.458 0 40 EDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccc(C)cc3)nc21 6939433 VFAVTHKHWBZCIR-UHFFFAOYSA-N 339.351 1.867 0 40 EDAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)CCNC(=O)[C@H]1C[C@@H]1C 44736104 TYOIKVVISOMQJJ-WFASDCNBSA-N 343.427 1.988 0 40 EDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(OC)c2)CC1 8496913 GXZORQQZLWGBPV-UHFFFAOYSA-N 345.392 1.798 0 40 EDAB Cn1nc(C(C)(C)C)cc1NC(=O)COc1ccccc1C(N)=O 44872577 CPSHGPGSLQKLJY-UHFFFAOYSA-N 330.388 1.834 0 40 EDAB CSCC(=O)NC[C@H](Cc1ccccc1)NC(=O)CSC 58268512 MGIFBNPOSAHPQG-ZDUSSCGKSA-N 326.487 1.556 0 40 EDAB CN1CCO[C@@H](CNC(=O)c2ccc(OCC(F)(F)F)nc2)C1 58281213 CEQUKTFHZMOIGW-NSHDSACASA-N 333.310 1.083 0 40 EDAB Cn1nccc1C1CCN(CC(=O)Nc2sccc2C(N)=O)CC1 58296432 SCFFRWMNDPETHF-UHFFFAOYSA-N 347.444 1.399 0 40 EDAB CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@@H]3CCOC3)ccc21 44919058 CCKGNMDQTZVULD-LBPRGKRZSA-N 338.429 1.165 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)C23CC4CC(CC(C4)C2)C3)n1 10387312 NRSOGUXYDZXGCB-UHFFFAOYSA-N 331.420 1.779 0 40 EDAB Cc1cccc(OC[C@@H](O)Cn2nc(C)c3c(C)onc3c2=O)c1 58327055 HSRCDKUUQUQJIW-ZDUSSCGKSA-N 329.356 1.750 0 40 EDAB O=C(Cc1cccc(F)c1)NCCNC(=O)c1cc(C2CC2)[nH]n1 58329094 ZXBWJPQBSIRPQH-UHFFFAOYSA-N 330.363 1.515 0 40 EDAB NC(=O)CN1CCC(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 45056961 GKNGZVCGKQOPRY-QWRGUYRKSA-N 335.370 1.421 0 40 EDAB COc1ccccc1N1C(=O)C[C@@H](N2CCC3(CC2)OCCO3)C1=O 9288836 LNGIJQBVTRHQEM-CQSZACIVSA-N 346.383 1.166 0 40 EDAB CC(=O)NCCNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 48097215 MKCDLRFACPDTCH-UHFFFAOYSA-N 332.404 1.570 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc(OCC(=O)N(C)C)cc2)no1 28382164 ANEIXFYPBAJOQK-GFCCVEGCSA-N 346.387 1.889 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccncc2)NC(=S)N[C@@]1(O)C(F)(F)F 28465973 ISCFPDWNQQKEQN-AUTRQRHGSA-N 349.334 1.031 0 40 EDAB COc1ccc(CN2CCN(c3cc(C)nc(N)n3)CC2)cc1OC 45724581 UYUUEZBMQUAJQR-UHFFFAOYSA-N 343.431 1.707 0 40 EDAB Cc1c(C(=O)N2CCC(C(N)=O)CC2)nnn1-c1cccc(Cl)c1 51317387 RXNUMEALERKDHH-UHFFFAOYSA-N 347.806 1.567 0 40 EDAB C[C@@H](CNC(=O)CCCn1c(=O)oc2ccccc21)N1CCOCC1 29957264 VVQIOHCIGYKEAY-AWEZNQCLSA-N 347.415 1.212 0 40 EDAB COCC(=O)OCC(=O)c1cc(C)n(NC(=O)c2ccccc2)c1C 60654452 LFTASNLBJAZCPO-UHFFFAOYSA-N 344.367 1.861 0 40 EDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100506436 BCBJZCOPAMTHRP-NQBHXWOUSA-N 334.397 1.136 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)N[C@@H](C)C[C@H](O)c1ccco1 95413393 GXZYHIITYMYYDT-NHYWBVRUSA-N 334.420 1.984 0 40 EDAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NCCCN(C)C 47652668 UASMBKDIZOXRPL-LBPRGKRZSA-N 327.450 1.199 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2Cc3ccccc3O2)cc1 47687494 CKCWRAFCUJJNTD-ZDUSSCGKSA-N 332.381 1.068 0 40 EDAB COc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 3392071 QPKYBIUAOCESFU-UHFFFAOYSA-N 334.353 1.651 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)c3cc(C)on3)cn2)CC1 48263553 SLDSVJRKSGLCKD-UHFFFAOYSA-N 329.404 1.450 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420077 ZJHQRZLSQPLXSE-PFHKOEEOSA-N 334.347 1.023 0 40 EDAB C[C@H](NC(=O)[C@@H](c1ccccc1)n1cnnn1)c1nnc2ccccn12 95472116 SBFOLDKBSDYXGN-SWLSCSKDSA-N 348.370 1.183 0 40 EDAB CCOc1ccc(NCc2cnc(N3CCN(C)CC3)nc2)cn1 95430916 BQRSSIGFLVCJMU-UHFFFAOYSA-N 328.420 1.634 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCC[C@@H]2C)c1C 3545939 MDSMBYKMGVHKDP-JTQLQIEISA-N 336.388 1.976 0 40 EDAB Nc1cc(N)nc(SCC(=O)N[C@H]2CCCc3ccccc32)n1 3605651 CWTUERUJFUMQQO-LBPRGKRZSA-N 329.429 1.927 0 40 EDAB Cc1cccc(C)c1NC(=O)[C@H](C)SCc1nc(N)nc(N)n1 9335575 GSMSSAGIVCMHFO-JTQLQIEISA-N 332.433 1.913 0 40 EDAB CC(C)C(=O)NCCCNC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 95440289 IXUMCYZMIOAOPL-HUUCEWRRSA-N 335.452 1.828 0 40 EDAB O=C1CN(C(=O)COc2ccccc2)S(=O)(=O)c2ccccc21 5274917 FUCYQSWXCKDAFS-UHFFFAOYSA-N 331.349 1.479 0 40 EDAB CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCCNS(C)(=O)=O)cc1 96419242 OJMHVCRHTINGBE-CVEARBPZSA-N 338.473 1.969 0 40 EDAB O=C(NCc1cn(-c2ccccc2)nn1)N[C@H](CO)c1ccccc1 96461837 RHFLDUZHMIXQQT-QGZVFWFLSA-N 337.383 1.800 0 40 EDAB O=C(O)CNC(=O)c1cc(I)ccc1Cl 4480270 PMUGKQQTUDCSLT-UHFFFAOYSA-N 339.516 1.759 0 40 EDAB CCOc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 65439980 TWXQZQLAIFBCAQ-OLZOCXBDSA-N 340.445 1.880 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)N[C@H]1CCCc2c1cnn2CCO 65415567 OVIRDRHIFHCXCK-WFASDCNBSA-N 332.404 1.776 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NC(C)(C)C 5346690 CIWNJFBMILHYIH-NSHDSACASA-N 329.422 1.359 0 40 EDAB COC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 65512432 IWVXRKAWVVKWFC-HZPDHXFCSA-N 344.411 1.242 0 40 EDAB O=C(Nc1nc(CN2CCOCC2)cs1)c1cccn2ccnc12 65624801 OSABXMBTHCNRFV-UHFFFAOYSA-N 343.412 1.875 0 40 EDAB O=C(Nc1nc(-c2ccccc2)ns1)N[C@@H]1CCCCNC1=O 65789658 GSXPMUVNADJIOA-LLVKDONJSA-N 331.401 1.995 0 40 EDAB CNC(=O)C1CCC(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)CC1 63259076 UYIDDVRAQAONQX-UHFFFAOYSA-N 343.383 1.670 0 40 EDAB C[C@H](O)CN1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 71877170 MVMKQWFRORQBHG-SWLSCSKDSA-N 343.265 1.481 0 40 EDAB Cc1ccc(Nc2nc(N)nc(COC(=O)C3=COCCO3)n2)cc1 6652798 MGEAGGLRIVTLBO-UHFFFAOYSA-N 343.343 1.437 0 40 EDAB O=C1NCCN1[C@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 71830536 SNKUNIXZNLDQNE-AWEZNQCLSA-N 327.388 1.726 0 40 EDAB Cc1noc(Cl)c1CCC(=O)N1CCN(CC(C)(C)O)CC1 71881834 YCEOOGCZSOFEFB-UHFFFAOYSA-N 329.828 1.484 0 40 EDAB COc1nc(C)ccc1CNC(=O)C(=O)Nc1ccc(F)c(F)c1 66221598 REMYOBRHLCKGPH-UHFFFAOYSA-N 335.310 1.932 0 40 EDAB Cc1ccc([C@@H](O)CNCc2cnc(N3CCOCC3)nc2)cc1 71819647 JQYGDQRPTLYHJN-KRWDZBQOSA-N 328.416 1.445 0 40 EDAB COCC(=O)N1CCN(Cc2ncc(-c3ccc(OC)cc3)o2)CC1 71831042 NZDWHZMVHAQQPE-UHFFFAOYSA-N 345.399 1.641 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCCN2c2cnc3ccccc3n2)CC1 71826811 IMSZESCMLQXJOO-INIZCTEOSA-N 325.416 1.373 0 40 EDAB CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)s1 4975800 XQMBMGPYRJPONT-VIFPVBQESA-N 326.422 1.660 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc2ccccc2c(=O)[nH]1 80304877 RLYJDVWAEOTEIK-KRWDZBQOSA-N 347.374 1.581 0 40 EDAB C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F 83927630 IXMOVXKKXMPIRM-XCBNKYQSSA-N 342.314 1.483 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 16379159 FFBNWGMSVGIZQV-GOSISDBHSA-N 340.427 1.696 0 40 EDAB CC(=O)N1CC(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)C1 95980180 URQQMYAQICWJPL-JTQLQIEISA-N 339.233 1.975 0 40 EDAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2cnc(C)cn2)s1 16746174 ACZPBGXBVLLFBK-UHFFFAOYSA-N 347.396 1.565 0 40 EDAB Cc1nccc(CNC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)n1 69173258 CYVXZCBKVVHRPT-MRXNPFEDSA-N 325.416 1.902 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CCCN1c1nccs1)C2 72278985 VOWPJVGRRXIZAK-STQMWFEESA-N 331.445 1.748 0 40 EDAB C[C@@H](C(=O)NCCS(N)(=O)=O)c1c(Cl)cccc1Cl 69421141 ZVLRDIMOTKXZMK-SSDOTTSWSA-N 325.217 1.502 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)C(=O)NCc3cccc(O)c3)ccc21 69490521 RAEPNUHMLDAKKI-UHFFFAOYSA-N 341.323 1.092 0 40 EDAB O=C(c1cccc2ncccc12)N1CCN([C@H]2CCC[C@H]2O)CC1 72268975 MUMJWKLJYNOARH-ZWKOTPCHSA-N 325.412 1.906 0 40 EDAB N#Cc1ccc(NC(=O)NCC/N=C(\O)c2ncccc2O)cc1 72277790 VIHIDIKFVHJJAX-UHFFFAOYSA-N 325.328 1.785 0 40 EDAB CN1CCO[C@H](CNC[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 69564876 COBDBPAQHWPDBO-KGLIPLIRSA-N 334.338 1.539 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 69537420 USFMPYVWONNRAJ-ZDUSSCGKSA-N 348.428 1.231 0 40 EDAB C[C@@H](NC(=O)CN[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)C1CC1 69742719 XQJXIXCYCVNEPP-IUODEOHRSA-N 347.463 1.416 0 40 EDAB NC(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 69896320 SFJOLLQONWWPMJ-LSDHHAIUSA-N 334.441 1.912 0 40 EDAB c1ccc(-c2nnc3ccc(N[C@H]4CCc5ncnn5C4)nn23)cc1 69901058 BUBYYSUMZSAMQH-ZDUSSCGKSA-N 332.371 1.810 0 40 EDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NC1CCCCCCC1 8778106 VWENYSOFPPQVFN-UHFFFAOYSA-N 349.456 1.954 0 40 EDAB COCCN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O 18257083 ISPIOTFBAPKNSU-ZDUSSCGKSA-N 327.178 1.863 0 40 EDAB CCCOc1ccccc1NS(=O)(=O)[C@H]1CCS(=O)(=O)C1 8844446 ZCXCQTOWQQAZTD-NSHDSACASA-N 333.431 1.404 0 40 EDAB C[C@H](C(=O)N1CCO[C@@H](c2nc(C(C)(C)C)n[nH]2)C1)n1ccnc1 76046404 LSRZZPQBJSNUKY-VXGBXAGGSA-N 332.408 1.460 0 40 EDAB CCc1noc([C@H](C)N[C@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)n1 76058004 PYZNDPQNTMXVHZ-AVGNSLFASA-N 344.481 1.731 0 40 EDAB CN(Cc1ncnn1C)C(=O)NCc1cccnc1N1CCCCC1 76091698 FFUVZRFLRLZYQI-UHFFFAOYSA-N 343.435 1.542 0 40 EDAB C[C@H]1CN(CC(=O)NCCOc2ccc(Cl)cc2)C[C@@H](C)O1 24950514 SMIXZKKUXPJULE-BETUJISGSA-N 326.824 1.944 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(OC)c2)CC1 22520001 YIIUQADIUHWGGZ-ZDUSSCGKSA-N 336.388 1.763 0 40 EDAB COCCCNC(=O)CCCN(c1ccccc1)S(C)(=O)=O 408627669 OMDZMIACSPXUPL-UHFFFAOYSA-N 328.434 1.386 0 40 EDAB CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)cc1 27028590 JCSXTBDMLNQDJJ-QWHCGFSZSA-N 334.401 1.917 0 40 EDAB Cc1cccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC2CC2)c1 65554316 PBKNRLVTSGRAGS-CQSZACIVSA-N 340.470 1.585 0 40 EDAB CCn1ccnc(N2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)c1=O 548334446 MUVBMVZZMADJHM-MRXNPFEDSA-N 347.444 1.270 0 40 EDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)N=c1[nH]c2ccccc2[nH]1 32102652 LDYPCBRLGKFQEX-AWEZNQCLSA-N 349.350 1.714 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)Cc1cc(C(F)(F)F)ccn1 529864619 MNMOQMQPNOXLNM-LBPRGKRZSA-N 329.322 1.722 0 40 EDAB COc1cccc(Oc2nccnc2[C@@H]2CCCN(CC(N)=O)C2)c1 72361806 YHQAYFNHXMWGSY-CYBMUJFWSA-N 342.399 1.942 0 40 EDAB COC(=O)c1cc(I)ccc1N1CCOCC1 39951638 FPRUJPRXFDGUFZ-UHFFFAOYSA-N 347.152 1.914 0 40 EDAB O=C(NCCCn1ccnn1)N[C@H]1CCO[C@H](c2ccccc2)C1 128154455 DABFKUXHLZCACM-HOTGVXAUSA-N 329.404 1.888 0 40 EDAB O=C(COc1ccccc1F)NC[C@]1(OCCO)CCSC1 1565520060 FAZAXPJNIILEDU-OAHLLOKOSA-N 329.393 1.205 0 40 EDAB O=S1(=O)N=C(NCc2ccc(-n3ccnc3)nc2)c2ccccc21 32888352 CJJRQNVWRLFOMC-UHFFFAOYSA-N 339.380 1.506 0 40 EDAB CCN(C1CCN(C(=O)c2ccc(C)cc2O)CC1)S(C)(=O)=O 66931782 KJCPLFVEGWWKEN-UHFFFAOYSA-N 340.445 1.587 0 40 EDAB CC(=O)[C@H]1CC(C(=O)OCC(=O)N2CCCC2)=NN1c1ccccc1 78557112 XSRPTKHSFIHXTR-MRXNPFEDSA-N 343.383 1.376 0 40 EDAB O=C(Nc1c[nH]nc1[C@@H]1CCNC1)c1cccc(N2CCCC2=O)c1 1549748090 VHTNRQHEEUEPOC-CYBMUJFWSA-N 339.399 1.866 0 40 EDAB COCc1nn2c(=O)cc(COC(=O)c3ccc(F)cc3)nc2s1 41077303 ZYBQWDQZKDTTJW-UHFFFAOYSA-N 349.343 1.794 0 40 EDAB O=C1CC[C@@H](N2CCN(Cc3cccc4c3OCO4)CC2)CCN1 575603199 ONWAWEAZJXPICF-OAHLLOKOSA-N 331.416 1.202 0 40 EDAB COc1cncc(O[C@@H]2CCN(C(=O)c3ccc(OC)c(F)c3)C2)n1 225395470 QONYEGYCRLDIOI-GFCCVEGCSA-N 347.346 1.926 0 40 EDAB CN(C(=O)CCn1cc(S(N)(=O)=O)cn1)[C@H]1CCc2ccccc21 69533027 DYHFAWIPSPYAGN-HNNXBMFYSA-N 348.428 1.067 0 40 EDAB CN(C)c1ncccc1O[C@H]1CCN(S(=O)(=O)c2cccnc2)C1 225584109 LCVPYFNHBUTSOY-ZDUSSCGKSA-N 348.428 1.385 0 40 EDAB C[C@H](NC(=O)Nc1cccc(N2CCNC2=O)c1)[C@H](C)n1cncn1 69698454 OTCHQWGYGRHBDY-RYUDHWBXSA-N 343.391 1.579 0 40 EDAB CNC(=O)c1cc(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)ccc1F 69813026 VDMPTEGIERXOPY-VIFPVBQESA-N 338.383 1.610 0 40 EDAB C[C@H]1CN(CCCN2CCCC2=O)CCN1C[C@H](O)c1ccccc1 69846241 JZRZTSXAMTYVPS-HKUYNNGSSA-N 345.487 1.739 0 40 EDAB Cc1ccccc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCCCC2)c1=O 222658384 MKPGHQGAWGFCBX-UHFFFAOYSA-N 343.383 1.518 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@@]3(C[C@H](CN4CCCC4)CO3)C2)c1 96228405 BRGPTFBYZZANJU-CRAIPNDOSA-N 332.448 1.527 0 40 EDAB Cc1ccc(Cn2cccc(NC(=O)[C@H]3C[C@H]3C(=O)O)c2=O)cc1 191652135 UGOMWXFJVZOLEH-UONOGXRCSA-N 326.352 1.864 0 40 EDAB CCn1nc(C)cc1C(=O)N1C[C@H]2OC[C@H](c3nnc(C)o3)[C@H]2C1 96218975 JKTVDRRLUYHHHF-MBNYWOFBSA-N 331.376 1.157 0 40 EDAB COc1cc(N2CCC[C@@]3(C[C@H](CN4CCOCC4)CO3)C2)ncn1 96075592 KHMYICPPSZOJLN-CRAIPNDOSA-N 348.447 1.193 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1cccc(Cn3ccnc3)c1)CC2 97198494 CFJMNBNKEHFDNK-INIZCTEOSA-N 336.399 1.576 0 40 EDAB Cn1cccc1C(=O)N1CCC2(CC1)NC(=O)C[C@@H]2c1cccnc1 96199722 HXBUXDUKGROPEY-OAHLLOKOSA-N 338.411 1.699 0 40 EDAB O=C(N1CCCC1)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1 96228132 FANKJDPKUHNKJU-UHFFFAOYSA-N 348.491 1.755 0 40 EDAB O=c1n(Cc2nc(COc3ccccc3)no2)nc2n1CCCCC2 96405223 PCWPUWWFRARFBX-UHFFFAOYSA-N 341.371 1.782 0 40 EDAB C[C@@H](CNC(=O)NCc1cccc(-n2cncn2)c1)Cn1cccn1 96410462 MELDISJMKJVXCC-AWEZNQCLSA-N 339.403 1.599 0 40 EDAB COc1cccc([C@](C)(CC(=O)O)NC(=O)c2cc(C)ncn2)c1 579800800 PYAKGQQLSKASMB-KRWDZBQOSA-N 329.356 1.914 0 40 EDAB CC(C)[C@H](NC(=O)CNS(C)(=O)=O)c1ccc(Cl)cc1F 96500900 BMGOPEGSGIMXML-ZDUSSCGKSA-N 336.816 1.842 0 40 EDAB CC(C)[C@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CCS1 96432295 UTPSTULNIGTGLH-OAHLLOKOSA-N 331.445 1.805 0 40 EDAB O=C(c1cccs1)N1CCOC[C@@]2(CC[C@@H](Cn3cncn3)O2)C1 96160569 QYONVNDMYGWUAY-XJKSGUPXSA-N 348.428 1.430 0 40 EDAB Cc1cccc(N2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)n1 96238080 KEAWUBDGQYOWLM-GOSISDBHSA-N 340.431 1.051 0 40 EDAB O=C(NCc1cccnc1)[C@@]12CCO[C@@H]1CCN(Cc1ccco1)C2 96038787 UOOXGBNVVRXGCU-IEBWSBKVSA-N 341.411 1.972 0 40 EDAB O=C(c1cccc2nc(O)[nH]c12)N1CCOC2(CCOCC2)CC1 583881669 IOVCVSCFBHIRBR-UHFFFAOYSA-N 331.372 1.680 0 40 EDAB Cc1nn2c(=O)cc(CN3CCO[C@@H](c4nccs4)C3)nc2s1 97199967 YVHMTQLOCYBKJX-LLVKDONJSA-N 349.441 1.489 0 40 EDAB O=C(COC[C@]12COC[C@H]1CN(Cc1ccccn1)C2)N1CCCC1 96108808 LQNBXVUOHAJJLC-APWZRJJASA-N 345.443 1.169 0 40 EDAB Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)s1 96344965 DZKHMJWPDFQIQL-VIFPVBQESA-N 342.384 1.714 0 40 EDAB O=C(c1nc2c(s1)CCCN2c1ncccn1)N1CCOCC1 96264650 UHIVDCKHBWHMKB-UHFFFAOYSA-N 331.401 1.490 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1ccc3c(c1)nnn3CC)CC2 97198782 ZAETYRNESJELJZ-LBPRGKRZSA-N 339.403 1.350 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 585086825 YJJMHMYMPVMHBE-MGAJPHDKSA-N 348.365 1.717 0 40 EDAB C[C@H](CCO)NC(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 585090985 KGLUGYJNTWIAER-PBFPGSCMSA-N 326.437 1.911 0 40 EDAB COCC[C@H]1CCOC12CN(C(=O)c1cccc3c1OCCO3)C2 247879653 PSPDMQDWXUDWRE-ZDUSSCGKSA-N 333.384 1.725 0 40 EDAB C[C@H](O)C1CN(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)C1 585127938 NNCRUUPSOWPKCT-MBNYWOFBSA-N 326.437 1.861 0 40 EDAB CCOc1cccc(CNC(=O)CCN(C)CCOCCOC)c1 585121708 XAIRHVCVFZBOEX-UHFFFAOYSA-N 338.448 1.686 0 40 EDAB COc1ccsc1S(=O)(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 245339255 RNJUNXYANXIEFJ-RWMBFGLXSA-N 342.486 1.862 0 40 EDAB CCS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 253491507 MVHJXLPGCHERAC-ZBFHGGJFSA-N 340.445 1.681 0 40 EDAB CCCn1ccc(C(=O)N2CCOC[C@@H]2c2cc(O)nc(C)n2)n1 257253962 KBAKICXLTSYKET-CQSZACIVSA-N 331.376 1.311 0 40 EDAB CS(=O)(=O)c1cncnc1C1CCN([C@@H]2CCCC[C@H]2O)CC1 257343470 ZTDNEBSUSYSTAQ-ZIAGYGMSSA-N 339.461 1.363 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)n1 257275749 NQSNEXWGHIYLKQ-INIZCTEOSA-N 343.431 1.337 0 40 EDAB O=S(=O)(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1ccc(F)cc1 257303975 SJOKHJYVVWVFIF-BZUAXINKSA-N 342.436 1.482 0 40 EDAB CCc1cc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)no1 257317485 VJXRXEWKEDWFQP-QGZVFWFLSA-N 348.378 1.532 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@@H](C)n3cncn3)CC2)cc1 27582728 YIDPQBHZXAYRFT-CQSZACIVSA-N 329.404 1.192 0 40 EDAB CN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H](C(=O)N(C)C)C1 257301198 RXJUBVMBKVWSKH-KRWDZBQOSA-N 341.459 1.529 0 40 EDAB Cc1cccc(Cl)c1S(=O)(=O)N[C@]1(CC(=O)O)CCOC1 1600536457 IJQCBGXEOKPQQG-ZDUSSCGKSA-N 333.793 1.561 0 40 EDAB Cc1cccc(CN2C(=O)CCCC[C@H]3[C@H]2CCN3C(=O)CN)c1 257241637 HYWAWQXGUOSFKO-DLBZAZTESA-N 329.444 1.826 0 40 EDAB CCc1cc(C(=O)N2CCO[C@H](CCc3cc(C)ncn3)C2)on1 257210413 BUMPDPPZIKAWEV-OAHLLOKOSA-N 330.388 1.809 0 40 EDAB Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 257326847 WYVMUISWXKLJKE-ZDUSSCGKSA-N 340.383 1.803 0 40 EDAB CCCC(=O)N1CSC[C@@H]1C(=O)Nc1nnc(-c2ccccn2)[nH]1 263864568 FQZOHAHNXDUCAA-LLVKDONJSA-N 346.416 1.507 0 40 EDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(N[C@H]1c3ccccc3C[C@H]1O)C2 1615001036 KGUCYXCTSAMSDN-DIECFANBSA-N 336.457 1.189 0 40 EDAB CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCOc3ccccc32)c1 1615003315 XATXPCATCOLCJN-UHFFFAOYSA-N 348.380 1.620 0 40 EDAB CCc1ccc(C(=O)N2C[C@@H](NC(C)=O)[C@H](c3nccn3C)C2)o1 1615548274 NJDGHOVQSVYMKZ-ZIAGYGMSSA-N 330.388 1.320 0 40 EDAB CCC(CC)c1nnc(NC(=O)N2C[C@H](CO)C[C@@H]2CO)s1 1615587440 LWHNKNZAOXGUTL-MWLCHTKSSA-N 328.438 1.649 0 40 EDAB CCOc1ccc2c(c1)[C@H](NC(=O)/C=C/C(=O)NC1CC1)CCO2 1615549024 IYVNSRCSDBEKOV-MVGZEHJDSA-N 330.384 1.860 0 40 EDAB COC(=O)N1C=C(CNCCn2cc(Br)cn2)CCC1 1616034606 PXRXUWICWIVFRP-UHFFFAOYSA-N 343.225 1.981 0 40 EDAB CC(C)CCC(=O)N1CC2(C[C@H](OCC(=O)N(C)C)CCO2)C1 575404460 CNCVYEDWEQUFAT-CQSZACIVSA-N 326.437 1.287 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@H](c1ccsc1)n1cccn1 575614309 QGRYMMREQDFBGQ-CYBMUJFWSA-N 331.401 1.706 0 40 EDAB O=C(NC1CC(F)(F)C1)[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575404096 LNDLHTFAPYHRFM-CYBMUJFWSA-N 338.358 1.480 0 40 EDAB Cn1cc(CN2CC3(C2)OCC[C@H]3CCNC(=O)c2ccco2)cn1 585102645 DKMMQFKZSFXVLP-OAHLLOKOSA-N 344.415 1.424 0 40 EDAB C[C@H]1Cc2nnc(COCC3CCC3)n2CCN1Cc1cn[nH]c1 585097729 NMQFXBMCZXZUOY-ZDUSSCGKSA-N 330.436 1.765 0 40 EDAB CN1C[C@@]2(C)CN(S(=O)(=O)c3cnc(Cl)n3C)C[C@@]2(C)C1 585134760 JFSHKDZVDOKWSO-BETUJISGSA-N 332.857 1.036 0 40 EDAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccc(-c2ccco2)[nH]c1=O 75125404 CWXAQHHDVBTBRW-DZGCQCFKSA-N 327.384 1.992 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)n1 75602706 VAIIRNGQQOGTNI-HOTGVXAUSA-N 345.447 1.317 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)[C@H](OCC(F)(F)F)c2ccccc2)C1 56412850 IYBNVOUTVWFEGG-VXGBXAGGSA-N 330.306 1.640 0 40 EDAB CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(OC)c(OC)c1OC 58218877 GJGVJQMLMMLUGY-LLVKDONJSA-N 338.404 1.747 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCN(C)CC34CCCCC4)nc2n1 80940936 QAEGETVMGYCQFH-UHFFFAOYSA-N 342.447 1.832 0 40 EDAB O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCN([C@H]2CCC[C@H]2O)CC1 107049165 GFJRATWSEXZUIY-XYVMCAHJSA-N 332.419 1.987 0 40 EDAB O=C(COC(=O)c1ccccc1O)Nc1ccc2[nH]c(=O)[nH]c2c1 12805047 BWDXWPHILXXNPQ-UHFFFAOYSA-N 327.296 1.357 0 40 EDAB COc1cccc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2N)c1 13654150 CZGCMEKUFNZHAD-UHFFFAOYSA-N 341.346 1.927 0 40 EDAB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn32)c(OC)c1 13692372 JAVHBVXUGWMGJT-LLVKDONJSA-N 331.332 1.126 0 40 EDAB CC[C@H](C)[C@H](N)c1nnc(SCc2c(C)[nH]c(=O)[nH]c2=O)o1 13748764 PAGRFORIORMKOP-RCOVLWMOSA-N 325.394 1.093 0 40 EDAB CCC(=O)N1CC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 19498496 OCYHBFHHXRSWHL-CYBMUJFWSA-N 329.404 1.293 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(CN(C)C)n(C)n1 19710075 AMHQEGSPKDBXBR-HNNXBMFYSA-N 343.497 1.205 0 40 EDAB CCn1cncc1C(=O)N1CCO[C@](C)(C(=O)NC2CCCC2)C1 19746961 BVSHDJXVMFZZBO-KRWDZBQOSA-N 334.420 1.193 0 40 EDAB Cc1ncsc1C(=O)N1CC[C@H](Oc2ccc(N(C)C)nn2)C1 225448059 BFSWXPIDFIZPKI-NSHDSACASA-N 333.417 1.601 0 40 EDAB CC(=O)N1[C@H]2CC[C@H]1c1cnn(-c3ccc(S(C)(=O)=O)cc3)c1C2 100221735 ICFCIBJJJDIMJP-BBRMVZONSA-N 345.424 1.884 0 40 EDAB CC1(C)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)C(=O)O)C=C1COC(=O)[C@]12O 514288318 XOYLBZQBJFFPCE-YGSYIFCWSA-N 338.356 1.043 0 40 EDAB biogenic,in-vitro COc1nn(C)cc1C(=O)NCC1CCN(C2CCOCC2)CC1 225562060 NXKLWPNDRIECQD-UHFFFAOYSA-N 336.436 1.050 0 40 EDAB COc1ccc(C(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1OC 4505099 KQBZBDCOOSNEGB-HNNXBMFYSA-N 327.402 1.353 0 40 EDAB O=C(O[C@H]1CCOC1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390831297 RCDGUGIPTHLLPS-GJZGRUSLSA-N 339.413 1.774 0 40 EDAB C[C@H](CC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 4412757 SISXUFPQMRMEBO-TZMCWYRMSA-N 339.413 1.027 0 40 EDAB O=C(NC1CCOCC1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888853712 WEBWCNAZHSRYIQ-ZDUSSCGKSA-N 346.431 1.943 0 40 EDAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1C 23574360 URPDCGHSGPAXLH-INIZCTEOSA-N 325.412 1.998 0 40 EDAB C/C=C/C(=O)OCC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C 25974503 MSIJOKZBUYDBDT-MUBLQREKSA-N 339.413 1.767 0 40 EDAB COc1ccc2nnc(CNC(=O)CSc3ccc(F)cc3)n2n1 244955855 GCLNDZYHZDECGD-UHFFFAOYSA-N 347.375 1.681 0 40 EDAB O=C(CN1CCCC1)N1CCC[C@@](O)(COc2ccccc2)CC1 2037908878 CLWNJGJILQSSFZ-IBGZPJMESA-N 332.444 1.905 0 40 EDAB O=C(CC1CCOCC1)N1CC[C@@H]2C[C@@]21C(=O)NCc1cccnc1 2056226017 HWZAOFSLCDPOIS-APWZRJJASA-N 343.427 1.506 0 40 EDAB Cc1cccc(F)c1C(=O)N1C[C@H]2ON=C(C(=O)NC3CC3)[C@H]2C1 1565544711 QXTFUICPAAAJNT-WCQYABFASA-N 331.347 1.240 0 40 EDAB CCCCN1CC2=C(C1=O)[C@@H](c1ccc(OC)c(OC)c1)NC(=O)N2 8277461 MNLWQLHJJZSSFV-MRXNPFEDSA-N 345.399 1.954 0 40 EDAB O=c1ccn(CCc2nnc(SCc3ccccc3)o2)c(=O)[nH]1 12444050 JQBQHEDVOBFQLO-UHFFFAOYSA-N 330.369 1.455 0 40 EDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2cc(C)on2)C1 2055750714 RWWHESHZHPTYOR-QGZVFWFLSA-N 332.379 1.925 0 40 EDAB O=C(NC1CC1)C1(Nc2nccs2)CCN(Cc2cn[nH]c2)CC1 2055745867 JIWSYVZEIAQFNB-UHFFFAOYSA-N 346.460 1.592 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2cccs2)C1 2055772556 UVVPJNKZYKPGNR-MRXNPFEDSA-N 332.429 1.251 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2cccc(C)n2)CC1 2055747102 ICDKEAUSYVGJPX-UHFFFAOYSA-N 342.447 1.316 0 40 EDAB Cc1ccc([C@@H](CNC(=O)C(=O)NCC(F)(F)F)N(C)C)cc1 49488645 RASCYQWJXOJWIS-GFCCVEGCSA-N 331.338 1.392 0 40 EDAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NC3CC3)[C@H]4C2=O)cc1 9305236 ZSTRBARPVXWWDN-FPXQBCRKSA-N 340.379 1.260 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2ccn(-c3ccccc3)n2)C1 40088833 TTYZILRGLDMDFY-QGZVFWFLSA-N 342.443 1.959 0 40 EDAB O=C(Nc1c[nH]ccc1=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 40088199 MJRVCTSYJDLYDP-SNVBAGLBSA-N 341.323 1.095 0 40 EDAB Cc1ccc([C@H](CNC(=O)c2cnn(C)c2C)N2CCOCC2)o1 40489429 KLOBTGUKEQTTHP-HNNXBMFYSA-N 332.404 1.433 0 40 EDAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCOc2ccccc21 40510287 CEJCXKQJNRMYOL-UHFFFAOYSA-N 349.364 1.981 0 40 EDAB C[C@@H](NC(=O)NCc1cccc(N2CC=CC2)c1)c1nncn1C 101348176 NGKVSTKWDBSVNL-CYBMUJFWSA-N 326.404 1.752 0 40 EDAB Cc1cc(C)cc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)c1 308963 UYEFBXBGYDGGOE-UHFFFAOYSA-N 347.440 1.781 0 40 EDAB O=C(Cc1cn2ccsc2n1)N1CCN(c2ccc(O)cc2)CC1 32980258 NGPKXPVGEIMYAX-UHFFFAOYSA-N 342.424 1.993 0 40 EDAB CCN1C(=O)C[C@H](Nc2ccc(OC)c(N3CCCC3=O)c2)C1=O 103176432 QPRZHOKBFVHJAQ-LBPRGKRZSA-N 331.372 1.381 0 40 EDAB NC(=O)CN1CCC(NC(=O)CCc2ccc3ccccc3c2)CC1 54151495 GRCCZONPMPXXQO-UHFFFAOYSA-N 339.439 1.838 0 40 EDAB Cc1cccc(OC[C@H](O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 23409056 XCQCYZIFCZJFBD-AEFFLSMTSA-N 348.443 1.058 0 40 EDAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(N)=O 23995156 GAIPKMFNWZYNIS-NSHDSACASA-N 332.429 1.428 0 40 EDAB Cc1ccc(-n2cc(C(=O)N[C@H](C(N)=O)c3ccccc3)nn2)cc1 42886931 GICFNIZAPGEFLD-INIZCTEOSA-N 335.367 1.532 0 40 EDAB CCn1cnnc1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 47965909 WKWCAWYMCDJVRO-OAHLLOKOSA-N 328.420 1.372 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 415853 HEGPSOHCOKRTIB-UHFFFAOYSA-N 346.474 1.502 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(Nc2ncccn2)c1 24970965 RDYKMWKLTBFQHI-ZDUSSCGKSA-N 332.385 1.137 0 40 EDAB COc1ccccc1NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 24989999 BFTNLYMLCWGKKC-GDBMZVCRSA-N 349.431 1.554 0 40 EDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1CO 79096730 OSIWCVSZXQCBGH-NUJGCVRESA-N 332.444 1.647 0 40 EDAB COc1ccccc1CC(C)(C)C(=O)N[C@@H](C)C(=O)N1CCOCC1 79032410 QRRRCVZFGBLNAP-AWEZNQCLSA-N 348.443 1.627 0 40 EDAB COc1ccc([C@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1O 79487697 RZAIMDYMJGOEQF-NSHDSACASA-N 341.327 1.046 0 40 EDAB O=C(O)CCCCCNC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 3882134 NARDOPZUVMARJH-UONOGXRCSA-N 347.415 1.622 0 40 EDAB CCCNC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)[C@H](C)CC 35380337 OFWOJJAXANOARW-COXVUDFISA-N 331.460 1.758 0 40 EDAB O=C(CNC(=O)c1cc(Cl)ccn1)Nc1ccc2c(c1)OCO2 7912871 NIHNUEZWRRNLHR-UHFFFAOYSA-N 333.731 1.832 0 40 EDAB O=C(CCC(=O)N1CCC(O)CC1)NCCc1ccccc1Cl 95979930 FWEVCLKRAANQPM-UHFFFAOYSA-N 338.835 1.762 0 40 EDAB CC(=O)N1CCC(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1 48155135 WPDJKSGZOABVAS-XJKSGUPXSA-N 325.453 1.892 0 40 EDAB Cc1cccnc1CN1CCC2(CC(NC(=O)c3cnccn3)C2)C1 108528815 QMCQKELAYPXFFP-UHFFFAOYSA-N 337.427 1.965 0 40 EDAB C[C@@H](NC(=O)CN1CCN(CCO)CC1)c1ccc(Cl)cc1 57846831 BSYGQVMNEQCRMK-CYBMUJFWSA-N 325.840 1.127 0 40 EDAB CCn1cc(CN2CCCN(C(=O)CCc3cccnc3)CC2)cn1 105828874 QTBUPCGKBSNBCX-UHFFFAOYSA-N 341.459 1.965 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)Cn1c(C)csc1=O 8345567 OTPSOUQFPIRGNY-ZDUSSCGKSA-N 348.424 1.907 0 40 EDAB C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(S(N)(=O)=O)cc1 27324362 FJZWEQUONPMFCV-QMMMGPOBSA-N 327.793 1.807 0 40 EDAB Cn1cc(S(=O)(=O)NCC2(c3ccccc3)CC2)cc1C(N)=O 44771417 RTQJEPBCCXVFER-UHFFFAOYSA-N 333.413 1.134 0 40 EDAB CCN1CCC(N(C(=O)[C@@H](C)NC(=O)c2ccoc2)C2CC2)CC1 58261294 ZDSIPLIYCUACRA-CYBMUJFWSA-N 333.432 1.873 0 40 EDAB COc1cccc(CNC(=O)[C@@H](C)S(=O)(=O)C[C@@H]2CCCO2)c1 44909260 RDEWPLJYASLMTN-DOMZBBRYSA-N 341.429 1.294 0 40 EDAB COCCn1nc(C(=O)N[C@@H](C)c2cc(F)ccc2F)ccc1=O 44908966 GLVYSJSPKRROBO-JTQLQIEISA-N 337.326 1.659 0 40 EDAB Cc1cccc(C)c1OCCNC(=O)N[C@H]1CCS(=O)(=O)C1 44946203 KMSGIVURKIUECA-ZDUSSCGKSA-N 326.418 1.169 0 40 EDAB O=C1NCCCC[C@@H]1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 44968044 GLLPLFBQMFEZHM-GJZGRUSLSA-N 335.379 1.577 0 40 EDAB NC(=O)c1ccc(OCC(=O)NC[C@@H](O)c2cccc(Cl)c2)cc1 58327275 JKAJNDAOULLADM-OAHLLOKOSA-N 348.786 1.668 0 40 EDAB CCOc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1OC 58304734 XELZWHRGONPAAL-HUUCEWRRSA-N 334.416 1.687 0 40 EDAB CC(C)N(CC(N)=O)C(=O)CCOc1cccc(Br)c1 3336726 IDUHMNNMMOFTNV-UHFFFAOYSA-N 343.221 1.940 0 40 EDAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@@H](C)C[C@H](C)C1)C2=O 3309893 CHNMVRRTFAJZCU-HPGRBHQUSA-N 335.448 1.992 0 40 EDAB Cc1cnc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)s1 10624583 VJNGRQZVQQZWKI-UHFFFAOYSA-N 330.369 1.756 0 40 EDAB O=C(CN1CCN(C(=O)C2CC2)CC1)NCCc1cccc(Cl)c1 36389814 OCQFLPMUXTXIHS-UHFFFAOYSA-N 349.862 1.553 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)NC(=O)NCc1ccccc1 3327786 GYUZIHZRSGQHFM-UHFFFAOYSA-N 336.351 1.423 0 40 EDAB CCCCN1C(=O)C(=O)N(Cc2cc(=O)n3c(C)cccc3n2)C1=O 10889915 MATOIHLDYWCJAV-UHFFFAOYSA-N 342.355 1.094 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3[C@@H]4[C@@H]5[C@H]3[C@]13CC=CC[C@@]53[C@@H]42 104280498 VJTMZINAWGVKDV-XEBAJRTGSA-N 331.375 1.739 0 40 EDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)cc2c1OCOC2 58935144 DSMKEHXKUDCISA-QMMMGPOBSA-N 333.793 1.256 0 40 EDAB CN(C)C(=O)CCN1CCN(C(=O)CCCc2ccccc2)CC1 60320582 WXOZNUJPYFPBFC-UHFFFAOYSA-N 331.460 1.632 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1Cc1cccc(F)c1 46626547 LBQVENGMVUWHKX-ZFWWWQNUSA-N 325.405 1.794 0 40 EDAB Cc1cccc(C)c1-n1nnc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 12274007 HPUKPPVOGIOGAU-CYBMUJFWSA-N 348.428 1.109 0 40 EDAB Cc1nccn1-c1cc(CNC(=O)CN2CCCCCC2=O)ccn1 47014082 GISGUAWZJFCRIY-UHFFFAOYSA-N 341.415 1.595 0 40 EDAB Cc1nccn1-c1cc(CNC(=O)CN2CCSC2=O)ccn1 47013585 YZPXBKBTTSDBGQ-UHFFFAOYSA-N 331.401 1.361 0 40 EDAB O=C(NC[C@@H]1CCOC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 47068499 SIUPCPDEFSXTSP-INIZCTEOSA-N 345.443 1.485 0 40 EDAB Cc1cccnc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 48272262 BESJMEZTIJTFNC-AWEZNQCLSA-N 347.396 1.556 0 40 EDAB CC[C@H](CNC(=O)CCNC(=O)c1cnccn1)c1ccccc1 48302603 YRHFXPLASPZPSJ-CQSZACIVSA-N 326.400 1.907 0 40 EDAB COC(=O)c1ccc2c(=O)[nH]c(CN3C[C@H](C)O[C@@H](C)C3)nc2c1 21916199 OPHAYVJYZBKFHQ-QWRGUYRKSA-N 331.372 1.319 0 40 EDAB CCNC(=O)COc1ccc(CNC(=O)c2ccccn2)cc1OC 48338339 CIVKXGOOYGKQTR-UHFFFAOYSA-N 343.383 1.535 0 40 EDAB Cc1ccoc1-c1nnc2sc(CN3C(=O)CSC3=O)nn12 28294975 SARXMNMKSUEIRD-UHFFFAOYSA-N 335.370 1.950 0 40 EDAB CS(=O)(=O)/N=C(\O)c1ccc(-n2cnc3ccccc3c2=O)cc1 48480022 OYYAOQDDFHTYFX-UHFFFAOYSA-N 343.364 1.650 0 40 EDAB CN(CCN1CCCC1=O)S(=O)(=O)Cc1ccc(F)c(Cl)c1 95439693 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Clc1cc(CCNc2ccc3nnnn3n2)cc2c1OCCO2 14022575 OIGIDBXVWJEMGH-UHFFFAOYSA-N 332.751 1.599 0 40 EDAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc(F)c2)nc1 65562928 AUKJDTKFLHMVQX-UHFFFAOYSA-N 337.376 1.788 0 40 EDAB COCCN1CC[C@H](CNC(=O)Cc2coc(-c3ccccc3)n2)C1 65611840 NLMSSUODFUHLAI-OAHLLOKOSA-N 343.427 1.969 0 40 EDAB NS(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CC2)cs1 71850415 NYOCTNBHVULYDO-UHFFFAOYSA-N 336.438 1.857 0 40 EDAB CC(C)Cc1cc(C(=O)NCc2nc(-c3ccccn3)no2)[nH]n1 71896541 UFBXOZQAPSMDEI-UHFFFAOYSA-N 326.360 1.983 0 40 EDAB O=C1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CCN1 71839562 BMJYOXCHLADONJ-UHFFFAOYSA-N 349.337 1.901 0 40 EDAB O=C(NCc1ccco1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842438 MBLGRDCZDHBOEZ-UHFFFAOYSA-N 334.353 1.276 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCCOc1ccccc1 15924922 NRZRSJZIUDIFAP-UHFFFAOYSA-N 332.356 1.473 0 40 EDAB Cc1cc(C)c2c(=O)[nH]c(SCC(=O)Nc3cc(C)on3)nc2n1 16045161 PIHHDSMDZBWIMI-UHFFFAOYSA-N 345.384 1.962 0 40 EDAB O=S(=O)(c1c[nH]c2ncccc12)N1CCc2c(ncn2C2CC2)C1 95432693 PKCICOMIFOEWNH-UHFFFAOYSA-N 343.412 1.841 0 40 EDAB CCOCC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 71900079 RPKPSBCGPCRXGU-HNNXBMFYSA-N 348.399 1.829 0 40 EDAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)c1ccnc(-n2cncn2)c1 71924319 ZKSULZCBNBIPKE-CABCVRRESA-N 335.367 1.957 0 40 EDAB O=C(NCCNc1ncccn1)Nc1cc(C(F)(F)F)c[nH]c1=O 69036418 DVRCLBGRBVLUFY-UHFFFAOYSA-N 342.281 1.417 0 40 EDAB COCCN1CCN(Cc2nnc(-c3ccc(OC)cc3)o2)C[C@@H]1C 70006470 ZNZUCWSARLBIBC-AWEZNQCLSA-N 346.431 1.898 0 40 EDAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCO[C@H](Cn2cccn2)C1 69372544 OEFYQRZZEKOBCL-KBPBESRZSA-N 339.399 1.582 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)NCC[C@H]3CCCO3)CC2=O)cc1 69388401 WZSDQPDPDHEUJM-NVXWUHKLSA-N 346.427 1.729 0 40 EDAB CN(C)CCN(CCCc1ccccc1)C(=O)CNC(=O)NC1CC1 69384497 RFNPQFIYFBRPQB-UHFFFAOYSA-N 346.475 1.471 0 40 EDAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)Nc3ccccc3)nn12 8393383 JVOCTWHUZYSJBO-LLVKDONJSA-N 325.328 1.617 0 40 EDAB Cc1cccc2c1NC(=O)[C@@]21N[C@@H](C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 17029024 DHPOEPXCIQUBMS-MYRNSEDVSA-N 341.411 1.534 0 40 EDAB COc1ccc(CC[C@H]2CCCCN2CC(=O)NC(N)=O)cc1OC 69486616 PAPDUVXEBOEYJZ-CQSZACIVSA-N 349.431 1.686 0 40 EDAB CC(C)n1cc(CN2CCCN(C(=O)c3ccnn3C)CC2)cn1 69493061 HIQAFRUDXLNXOZ-UHFFFAOYSA-N 330.436 1.546 0 40 EDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1cccc2c1OCCCO2 69492231 UWTRZYUPPWOOCK-CJNGLKHVSA-N 349.383 1.859 0 40 EDAB CCONC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 69520485 CYJRHNGRGWMJIZ-AWEZNQCLSA-N 326.418 1.296 0 40 EDAB Cn1cccc1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 69537105 DVEXFZUIAHGKEI-OAHLLOKOSA-N 340.427 1.975 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)CCn3cc(C)cn3)CC2)n1 69569717 XGYRESWCRQHXRM-UHFFFAOYSA-N 344.419 1.119 0 40 EDAB CCC(=O)NCC(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F 69659797 SCPTYRUFEAVZPR-UHFFFAOYSA-N 336.342 1.983 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCc3cc(OC)ccc32)o1 69632280 NJMBOFVIJWRSKU-UHFFFAOYSA-N 337.353 1.826 0 40 EDAB CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1nn(C)c(=O)c2ccccc12 69706525 GODMHAQOPIJDBL-HZPDHXFCSA-N 340.427 1.632 0 40 EDAB COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1COCCO1 69742040 FRXAQXKBSYVKRP-CQSZACIVSA-N 331.771 1.870 0 40 EDAB CCOC(=O)c1cn([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)nn1 98086527 BYYWYGFOATZUJJ-LBPRGKRZSA-N 348.746 1.613 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1 69951184 GRCMGNAISZINTL-OAHLLOKOSA-N 348.422 1.867 0 40 EDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccc(N(C)C)nn3)C2)n1 72253266 MGCNWLFAMOKVKA-CQSZACIVSA-N 328.420 1.833 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 8981254 IONQNGCMIKFOLK-NSHDSACASA-N 341.820 1.952 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)NCc2ccc(C)cc2)C1=O 9048926 AMZUGDLEGDGNBH-CYBMUJFWSA-N 335.429 1.285 0 40 EDAB Cc1ccccc1CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 84243941 GKNYRTOJSFUBCL-UHFFFAOYSA-N 329.404 1.008 0 40 EDAB CC(=O)N[C@@H](CC(=O)N[C@H]1CCc2nccn2C1)c1ccccc1 97197354 HSSZGIKKGDUZLX-HOTGVXAUSA-N 326.400 1.582 0 40 EDAB NC(=O)C1(NC(=O)c2ccc(Br)cc2OC(F)F)CC1 96009650 ALLNZYNBFDLWIX-UHFFFAOYSA-N 349.131 1.798 0 40 EDAB COC[C@](C)(CC(=O)O)NC(=O)CCCOc1ccc(F)cc1 95989828 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TURWHRRCHKRQST-AWEZNQCLSA-N 345.424 1.092 0 40 EDAB CCn1cc(CN2CCn3cc(C(=O)NC(C)C)nc3[C@H]2C)cn1 306126330 DSVUNXXLFXEZPG-CYBMUJFWSA-N 330.436 1.815 0 40 EDAB Cc1cc(C)n(-c2ncc(S(=O)(=O)c3ccccc3)c(N)n2)n1 71771919 FIUAXUHOZXQKOJ-UHFFFAOYSA-N 329.385 1.694 0 40 EDAB CNc1cc(N2CCC[C@H]2CNC(=O)Cc2c(C)n[nH]c2C)ncn1 187881783 HMADFCBXBGNAOT-ZDUSSCGKSA-N 343.435 1.186 0 40 EDAB CN(C)CC(=O)Nc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 71285010 LCBDVPLJGBTLSE-KGLIPLIRSA-N 333.388 1.482 0 40 EDAB C[C@H]1Oc2c(cccc2C(=O)N[C@H]2CCCc3c2cnn3C)NC1=O 78498611 HJGCLDFEXPVUBF-MFKMUULPSA-N 340.383 1.947 0 40 EDAB COCC(=O)N1CCC[C@@H](c2ccc(Nc3cnccn3)cn2)C1 72353299 WIWAWZOVIUSEJN-CYBMUJFWSA-N 327.388 1.968 0 40 EDAB Cc1noc(CCNS(=O)(=O)c2cc(Cl)cc(C(=O)O)c2)n1 567803048 KFKNNSOFGYJULC-UHFFFAOYSA-N 345.764 1.251 0 40 EDAB COC(=O)N1CCc2ccccc2[C@@H]1C(=O)NCCCn1ccnc1 75165701 LNPPVNFUGCOQDY-MRXNPFEDSA-N 342.399 1.755 0 40 EDAB CCCCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223513989 CDDFRGJVJLRBEM-GFCCVEGCSA-N 328.434 1.766 0 40 EDAB O=C([C@@H]1OCCc2ccccc21)N1CC[C@H](Oc2cccnn2)C1 225417347 RWSTUEMXXCEIAU-WMLDXEAASA-N 325.368 1.770 0 40 EDAB CN(C)C(=O)c1ccc(S(=O)(=O)N(C)c2nccs2)cc1 194793807 MHTIJQVVUSBSAO-UHFFFAOYSA-N 325.415 1.670 0 40 EDAB CCC(CO)(CO)NC(=O)c1ccc(Cl)cc1Br 195563083 GLYOYVRAVMZKAN-UHFFFAOYSA-N 336.613 1.966 0 40 EDAB O=C(c1ccnc(-n2cccn2)c1)N1CCCC[C@@H]1c1nc(O)n[nH]1 572620978 WABZTWLDZVYYOC-GFCCVEGCSA-N 339.359 1.458 0 40 EDAB Cc1noc(C)c1CN1CC[C@]2(CCCN(S(C)(=O)=O)C2)C1 96215478 YMIPSQARRLINOF-OAHLLOKOSA-N 327.450 1.539 0 40 EDAB CN(C[C@H](O)CN1CCOCC1)c1ncc(Br)cc1F 584908741 GXCQBJSSDDJEFK-NSHDSACASA-N 348.216 1.113 0 40 EDAB Cn1ccnc1CN1CCOC[C@@]2(CCN(Cc3ccco3)C2)C1 96070376 KWVXFENOEBMHNJ-GOSISDBHSA-N 330.432 1.738 0 40 EDAB CN1C(=O)C[C@@H](NCc2nnc3n2CCCC3)[C@@H]1c1cccnc1 583620192 STJLBXMFWSZHSD-DYVFJYSZSA-N 326.404 1.071 0 40 EDAB CCc1onc(C)c1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 583621011 JKDWQDRMUYMJEY-WBMJQRKESA-N 328.372 1.642 0 40 EDAB O=C(CN1CCC[C@](O)(c2cnn[nH]2)C1)N(C1CCCC1)C1CC1 583617936 LTVSHMVQLJLWQY-QGZVFWFLSA-N 333.436 1.022 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Cc2ccnn2C)cc1 583623773 ISGSUSZKDNHJOM-PKOBYXMFSA-N 343.427 1.870 0 40 EDAB COc1ccc2cc(CN3CC[C@@H](NS(C)(=O)=O)C3)ccc2c1 93530841 XVUAGCNLJLTHPB-MRXNPFEDSA-N 334.441 1.972 0 40 EDAB O=C([C@H]1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1)N1CCCC1 96036850 KRINTJCWVNRXNZ-MRXNPFEDSA-N 344.459 1.605 0 40 EDAB CCS(=O)(=O)N1CC[C@@]2(CCN(Cc3cccc(C)c3)C2=O)C1 96050602 ILUSXYXJSRPYGR-KRWDZBQOSA-N 336.457 1.769 0 40 EDAB CCc1cnc(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)s1 96439299 OZJKDTDRCJRECY-GFCCVEGCSA-N 346.460 1.964 0 40 EDAB CN1CC[C@@H](NC(=O)Nc2cnn(-c3ccccc3Cl)c2)C1=O 96422058 DCJFTIIJYUGJFI-GFCCVEGCSA-N 333.779 1.878 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)Cc1ccccc1CN(C)C2=O 96161321 BVHCDAITFIJJAF-UHFFFAOYSA-N 336.457 1.633 0 40 EDAB CN(CC(=O)N(Cc1ccoc1)C1CCCCC1)S(C)(=O)=O 96423076 KPOYYPFDDFPVGK-UHFFFAOYSA-N 328.434 1.832 0 40 EDAB CN(C)c1ccnc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c1 97101474 PQGNWPUGVHRBSV-QGZVFWFLSA-N 338.411 1.851 0 40 EDAB Cc1ccc2c(O)c(C(=O)N3C[C@@H](C)C[C@H](C(=O)O)C3)cnc2n1 581726406 LTMSHZBMAYIVQM-ONGXEEELSA-N 329.356 1.827 0 40 EDAB Cn1cc(-c2nnn3c2CO[C@H](CNCc2cccs2)C3)cn1 96061007 KWVXCEJAQKRTMG-GFCCVEGCSA-N 330.417 1.429 0 40 EDAB O=C(COc1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1 96182474 VNPRYPHOLZVPDJ-IBGZPJMESA-N 340.423 1.943 0 40 EDAB O=C(NCCN(CCOCCO)C(=O)OC1CCC1)OC1CCC1 585134850 LXCBXHDCQHSYBV-UHFFFAOYSA-N 344.408 1.265 0 40 EDAB C[C@]1(CNC(=O)Nc2cccc(F)c2S(C)(=O)=O)CCOC1 585119657 ORWHHVCQMOHOSM-CQSZACIVSA-N 330.381 1.777 0 40 EDAB Cn1cc(CN2CCC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cn1 96048501 QDFZTUHMSIBKAD-DOTOQJQBSA-N 346.410 1.585 0 40 EDAB O=C(CC1CC1)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 585130489 RRAXRZLVMFYDAS-OCCSQVGLSA-N 348.365 1.861 0 40 EDAB Cc1cc(C)cc(OCC(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)c1 585110588 ZJZWWRSTBHKMNX-INIZCTEOSA-N 337.441 1.718 0 40 EDAB COc1cc(N2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)ncn1 96218142 GRSBGPNIFRTLHX-QAPCUYQASA-N 342.399 1.945 0 40 EDAB Cc1ccc(CNC(=O)[C@@H](C)N2CCc3ccccc3C2)c(=O)n1C 332010429 JUKUBNCDTHLUBV-OAHLLOKOSA-N 339.439 1.757 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1cnn(C)c1 96200650 MRLOJQGWEJXNIP-GJZGRUSLSA-N 333.388 1.502 0 40 EDAB CCc1cc(N[C@H]2CCc3nnc(C(C)C)n3C2)n2ncnc2n1 95958009 ANTYDXDXPKQTMC-LBPRGKRZSA-N 326.408 1.829 0 40 EDAB CO[C@H]1CCN(S(=O)(=O)c2cccs2)[C@H]1Cc1cnn(C)c1 96200604 AMRLNPFAGNRHIP-STQMWFEESA-N 341.458 1.502 0 40 EDAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccccc2)[C@H]1S(C)(=O)=O 242538684 JBTQCEBIQQKOKJ-XJKCOSOUSA-N 340.445 1.419 0 40 EDAB NC(=O)C[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1Oc1ccc(F)cc1 257303963 SJNKHCGJQZMDDJ-NHYWBVRUSA-N 346.362 1.334 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)CCCn2ccnc2)CCO1 257323350 WJUJJOSZIVIGIZ-CYBMUJFWSA-N 330.392 1.095 0 40 EDAB COCC(=O)N1CCC[C@@H](c2nccnc2-c2c(C)nn(C)c2C)C1 257306289 STRLJVVDLBMYEG-CQSZACIVSA-N 343.431 1.846 0 40 EDAB CN1CCO[C@@H](c2nccc(CNC(=O)Cc3cccs3)n2)C1 257268578 MMHGAUFFIUCAQB-CQSZACIVSA-N 332.429 1.400 0 40 EDAB CN([C@H](C(=O)NCc1ccncc1)c1ccccc1)S(C)(=O)=O 260811031 MLKFVJHFVDXCTJ-HNNXBMFYSA-N 333.413 1.331 0 40 EDAB COc1cccc(OCC(=O)N2CC[C@](C(=O)O)(C(F)(F)F)C2)c1 262893143 DDVRJXQFGZGTKR-AWEZNQCLSA-N 347.289 1.940 0 40 EDAB Cc1nc2n(n1)CCC[C@H]2N1C(=O)CN(Cc2ccccc2)C1=O 277172678 FZXGKFTUKYDSLA-CQSZACIVSA-N 325.372 1.886 0 40 EDAB O=S(=O)(NCc1ccccc1Cn1cccn1)[C@@H]1C[C@H]2CC[C@H]1O2 606445549 PZRWCBWETFSYLA-BRWVUGGUSA-N 347.440 1.671 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](CCC(=O)O)C(=O)O)c(C)c1 1616035644 BGPKZQKLHKFECC-NWDGAFQWSA-N 343.401 1.536 0 40 EDAB Cc1cc(CN2CCN(C(=O)NC[C@@H](C)N3CCCC3)CC2)no1 65449248 IEROCYQKYLQGPR-CQSZACIVSA-N 335.452 1.295 0 40 EDAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)c1cccnc1NC 585279305 XUIOIEBUYWYJBF-KBPBESRZSA-N 334.420 1.269 0 40 EDAB Cc1cnn(C)c1-c1cnc2n1CCN(C(=O)C1(F)CCC1)CC2 585111204 IZXQCUQIYCGPSJ-UHFFFAOYSA-N 331.395 1.869 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1ccc(OCC(=O)O)cc1 585290800 GGIFLWKLPSMIPS-INMHGKMJSA-N 339.388 1.011 0 40 EDAB CO[C@H]1CN(CC(=O)Nc2cnn(C)c2)CC[C@@H]1Cc1ccccc1 585280504 JPCKVFJKGDRZDK-AEFFLSMTSA-N 342.443 1.938 0 40 EDAB CNC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2ccnn21 585112678 SRUGSUDTBMKIIA-AWEZNQCLSA-N 348.428 1.073 0 40 EDAB O=C(c1ccc(N2CCCC2)nn1)N1CCCC[C@@H]1Cn1cccn1 71871982 DAAJRONWKWCSSX-OAHLLOKOSA-N 340.431 1.968 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1C[C@H](O)c1cc(F)ccc1F 48374250 WQMQRRFZXSYVRF-SMDDNHRTSA-N 328.340 1.426 0 40 EDAB O=C(CNC(=O)c1ccccc1)Nc1ccn(Cc2ccncc2)n1 58230179 CPPLFBVVLZENRI-UHFFFAOYSA-N 335.367 1.695 0 40 EDAB Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc(=O)n(C)n1)C(F)(F)F 84011949 PYMQHVVMPGZUKI-LBPRGKRZSA-N 344.293 1.591 0 40 EDAB CO[C@H](C)c1noc(CN(C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)n1 81576934 IOBRCEUNYZUMOG-DGCLKSJQSA-N 348.407 1.138 0 40 EDAB Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccccc3F)C2)no1 95448060 XVUKZKZRPXGQFV-LBPRGKRZSA-N 346.362 1.846 0 40 EDAB CNC[C@@H]1CCCN1C(=O)CCc1c(C)nc2cc(O)nn2c1C 564944067 IHKLJEQIIDYPCK-ZDUSSCGKSA-N 331.420 1.195 0 40 EDAB O=C(Cn1cccn1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1775973063 GRXSLHOHUJIHSD-UHFFFAOYSA-N 335.367 1.190 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OC(C)C)c(OC)c2)C1=O 5006522 FSNMNTBDBRLPCS-KPKJPENVSA-N 348.355 1.548 0 40 EDAB C[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)NC[C@@H]1CCCO1 11669736 WZKMTNPCMJUFTI-ZJUUUORDSA-N 337.405 1.028 0 40 EDAB CCONC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 12896488 YQUASQSYEKJWSA-UHFFFAOYSA-N 330.406 1.407 0 40 EDAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCCN1CCOCC1 12925547 MNDLQAISDAVPFV-INIZCTEOSA-N 348.447 1.281 0 40 EDAB COc1ccc(-c2cc(=O)n(CC(=O)NC[C@H]3CCCO3)cn2)cc1 13807106 JSBKONKYEWFUHY-OAHLLOKOSA-N 343.383 1.214 0 40 EDAB CC(=O)NCCn1nc([C@@H]2CCN(CC3CC3)C2)c2nccnc21 19021541 OCUZVIRJTNUAQJ-CQSZACIVSA-N 328.420 1.162 0 40 EDAB c1ccc(N2CCN(Cc3nnnn3C[C@H]3CCCO3)CC2)cc1 19372979 CRQDSAPYRDMJSW-MRXNPFEDSA-N 328.420 1.174 0 40 EDAB COc1ccc([C@@H]2CC(=O)c3cnc4nc(N)[nH]c(=O)c4c3C2)cc1 19819871 INYWUFXOGMBCSE-JTQLQIEISA-N 336.351 1.822 0 40 EDAB Cc1ccnc(N2C[C@@H]3CN(c4cc(C)nc5ncnn45)C[C@@H]3C2)n1 1888876012 QWOOYFHDIMZNEH-OKILXGFUSA-N 336.403 1.104 0 40 EDAB CCN(CC)[C@@H](CNC(=O)CN1CSCC1=O)c1ccccc1 22752078 XFMMNVMBFPLPSB-HNNXBMFYSA-N 335.473 1.719 0 40 EDAB O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(-n2ccnc2)nn1 1857792489 WEBVQIJGIZVRGA-UHFFFAOYSA-N 345.265 1.891 0 40 EDAB CC(C)N1C[C@]2(COCC1=O)CN(CCCc1ccccc1)CCO2 2037980691 FJEMGLWQACVBOX-FQEVSTJZSA-N 346.471 1.957 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cn[nH]c2)C1 1203091083 UDYQVFQPSNUVFG-NUEKZKHPSA-N 330.388 1.299 0 40 EDAB Cc1ncnc(C(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@@H]3C2)c1C 1565546017 UFFDEFZBRLWCOV-HZPDHXFCSA-N 332.448 1.665 0 40 EDAB Cn1cnc(C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3CC2)n1 1565550316 YPEJKKAUYQALTM-UHFFFAOYSA-N 340.362 1.585 0 40 EDAB Cc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n1 4330254 FVLFAMXJCVHNMW-UHFFFAOYSA-N 331.353 1.173 0 40 EDAB CCN1CCN(CCCn2c(S)nc3ncccc3c2=O)CC1 20618239 WLDNPPLLEWJRLC-UHFFFAOYSA-N 333.461 1.108 0 40 EDAB COc1cc(N2CCN(c3cnc4ccccc4n3)CC2=O)ccn1 1775974729 NDGFZBXLWCSISF-UHFFFAOYSA-N 335.367 1.887 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCN(CC(F)(F)F)CC1 44448743 MIYXSVWWOJWXJW-CYBMUJFWSA-N 330.306 1.533 0 40 EDAB O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2cnsn2)CC1 585148805 JMDVSFKNBPZICJ-UHFFFAOYSA-N 342.380 1.607 0 40 EDAB Cn1cc(-c2noc(CNc3cc(C(F)(F)F)ncn3)n2)cn1 575615944 HRQRZTXZAPPFRH-UHFFFAOYSA-N 325.254 1.891 0 40 EDAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)nn1 585234421 QNUWFHYRZRHYAW-CQSZACIVSA-N 339.399 1.739 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 4061131 KTENWUOGPYYYTE-ABKXIKBNSA-N 347.367 1.965 0 40 EDAB biogenic CCN(CC)C(=O)[C@H]1CCCN(CN2C(=O)C(=O)c3ccccc32)C1 226758429 ZUDDQJDSYGFOJX-AWEZNQCLSA-N 343.427 1.754 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)N(C)Cc1cccs1 40106027 WZXNXCHKGPTLEA-UHFFFAOYSA-N 342.442 1.926 0 40 EDAB Nc1nc(Cl)cc(NCCCN2C(=O)NC3(CCCC3)C2=O)n1 40497743 KBWRBWSRNCXSRP-UHFFFAOYSA-N 338.799 1.379 0 40 EDAB O=C(OC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 50823572 IUBJBIOQAVMCTK-UHFFFAOYSA-N 342.417 1.525 0 40 EDAB C[C@H]1CN([C@@H](C)CNC(=O)Cc2cn3ccsc3n2)C[C@@H](C)O1 40512348 HWEZOUIHCHGASV-RWMBFGLXSA-N 336.461 1.552 0 40 EDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1 20735995 KEQFHDHXIOTNIJ-OAHLLOKOSA-N 332.335 1.379 0 40 EDAB O=C(O)[C@@H]1CCCCN1C(=O)c1c[nH]n2c1nc(=O)c1ccccc12 101696528 CJOHDOUKPJPYNK-ZDUSSCGKSA-N 340.339 1.255 0 40 EDAB CCCCc1nc(C)c(C(=O)NCC2(C(N)=O)CCOCC2)s1 52744903 KHBLPTCCXRELNI-UHFFFAOYSA-N 339.461 1.806 0 40 EDAB CCOC(=O)C1=C(CSc2nccn2C2CC2)NC(=O)N[C@H]1C 21831079 URSAPLQRFVBNJI-VIFPVBQESA-N 336.417 1.829 0 40 EDAB COCCn1cnnc1SCC(=O)Nc1cccc(C(C)=O)c1 21972702 BHEXPTUGZXKJRD-UHFFFAOYSA-N 334.401 1.858 0 40 EDAB NC(=O)C1CCN(C(=O)c2ccnc(OCc3ccccc3)c2)CC1 52980110 PEZQGUAYDIPRBT-UHFFFAOYSA-N 339.395 1.998 0 40 EDAB Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Cn1cnnn1 53425493 FWUWOAUOAQFYDW-JTQLQIEISA-N 328.401 1.982 0 40 EDAB COC(=O)CCN1CCN(CCOc2ccc(Cl)cc2)CC1 53400150 FYLHORBUBQQPHP-UHFFFAOYSA-N 326.824 1.900 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCOCc1ccccc1 41999992 CCPDMMMVVRPWNE-OAHLLOKOSA-N 340.445 1.134 0 40 EDAB CN1CCN(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)CC1 53717939 CRWLDUVDCRJEDY-UHFFFAOYSA-N 325.796 1.046 0 40 EDAB CC(C)CN1C[C@H](C(=O)NCc2nncn2-c2ccccc2)CC1=O 42496480 NMJFFBJJMFRFOR-CQSZACIVSA-N 341.415 1.388 0 40 EDAB Cc1c(NC(=O)c2ccc(=O)[nH]c2)cccc1C(=O)N1CCOCC1 54262615 AZTWLNHMHGFALW-UHFFFAOYSA-N 341.367 1.408 0 40 EDAB Cc1ccc([C@H](C)NC(=O)CNC(=O)c2ccc3c(c2)OCO3)o1 23306068 SBJYBFGVCACTDZ-NSHDSACASA-N 330.340 1.924 0 40 EDAB CC(=O)N[C@@H](CC(=O)N[C@H](C)Cn1ccnc1)c1ccc(C)cc1 42534668 BEMZOLATKLIHDR-PBHICJAKSA-N 328.416 1.964 0 40 EDAB CC(=O)NCCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br 104810215 GYYWMTSWFBZVAP-WCQYABFASA-N 340.221 1.740 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cnc2ccccc2c1 23887478 RFECVSMNJKGETL-OAHLLOKOSA-N 333.413 1.987 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cccc2cccnc12 23887130 UTLQNOYJYMRCHH-CQSZACIVSA-N 333.413 1.987 0 40 EDAB O=C(Cc1cn2ccsc2n1)N1CCN(Cc2ccncc2)CC1 23804996 LMJGGBOTICKQJC-UHFFFAOYSA-N 341.440 1.678 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@](C)(C2CC2)C1=O 24089601 IOMCPPZLKBMGAX-RDTXWAMCSA-N 332.400 1.764 0 40 EDAB Cn1ccnc1CCNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C 69370236 WWXXZNPASKCYAN-GFCCVEGCSA-N 338.477 1.417 0 40 EDAB Cc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)[nH]c2c1C(=O)CC(C)(C)C2 40467979 MBZMCWBEZUWBCM-JTQLQIEISA-N 338.429 1.395 0 40 EDAB COc1ccccc1CC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 40542818 YNLPBTXNBWWQQG-ZDUSSCGKSA-N 340.445 1.026 0 40 EDAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCSCC1 40541983 LTRIJTXCBILHBK-GFCCVEGCSA-N 348.424 1.386 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)c(Cl)c1 7881256 CCHTVXQEVIMOQU-UHFFFAOYSA-N 348.852 1.885 0 40 EDAB CCN1C[C@H](C(=O)Nc2ccccc2OCCn2ccnc2)CC1=O 69350932 HQSZANHYLFOQCQ-CQSZACIVSA-N 342.399 1.769 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(C)c2)NC(=S)N1 8690645 VDCYCTMMBZNIHJ-HNNXBMFYSA-N 331.441 1.647 0 40 EDAB CC(=O)NCCCNC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 45865121 WMUWUMGJXBOYIX-HNNXBMFYSA-N 347.394 1.474 0 40 EDAB Cc1ccc(C)c(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)c1 101514167 NWGKDPXATYQKNV-UHFFFAOYSA-N 325.372 1.914 0 40 EDAB O=C1CC2(CCN(C(=O)[C@H]3CCOC3)CC2)CN1Cc1ccncc1 108531148 LEBIUVYQSDQMDM-INIZCTEOSA-N 343.427 1.459 0 40 EDAB NC(=O)c1ccc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 46093681 RJTBMZJZJHAUER-LJQANCHMSA-N 339.439 1.637 0 40 EDAB CCOc1ncccc1CNC(=O)CN1C(=O)c2ccccc2C1=O 32796299 BJSPFMJJMLBHIE-UHFFFAOYSA-N 339.351 1.393 0 40 EDAB COc1cccc(CN2CC[C@]3(CCN([C@H]4CCOC4)C3)C2=O)c1 107194343 IIKXAPGKNNKPAZ-QFBILLFUSA-N 330.428 1.909 0 40 EDAB Cc1ccc([C@@H]2[C@H](C(=O)N3C[C@H](C)O[C@@H](C)C3)OCC(=O)N2C)cc1 108418502 VQEGXBROURYMGR-LBTBCDHLSA-N 346.427 1.529 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cnc(C)cn1 2631791 XXQSWZSKELDXTJ-UHFFFAOYSA-N 343.339 1.757 0 40 EDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(F)ccc3O)cnc21 2652841 JVHFUPKULNQVOI-UHFFFAOYSA-N 329.287 1.180 0 40 EDAB CCn1c(=O)n(COC)c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 22610622 RFDZCNWYFYHWCY-UHFFFAOYSA-N 331.372 1.337 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCS(=O)(=O)c1ccc(Cl)cc1 22014162 HWFYSXZIIQJJSX-AWEZNQCLSA-N 344.864 1.666 0 40 EDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@H]1Cc1cccc(F)c1 53076387 FWBCQROTRRFSNN-HNNXBMFYSA-N 342.436 1.123 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108526445 ZITMPRVRMQSJCV-HUUCEWRRSA-N 346.431 1.465 0 40 EDAB CC(=O)N[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)C1CCCC1 53462587 ORQRWBZNAHGJAG-SFHVURJKSA-N 346.427 1.811 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NCC1(N2CCOCC2)CCCCC1 61075164 YKLOXOHUTZJLPU-MRXNPFEDSA-N 349.479 1.606 0 40 EDAB C[C@H]1CCN(C(=O)CN2CCN(CCO)CC2)c2ccccc2S1 22944733 RGZBKQDDPVBHDX-HNNXBMFYSA-N 349.500 1.514 0 40 EDAB O=C([C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)N1CC[C@H](O)C1 89598111 LAHCFEFMHAVFJR-NNKBYLESSA-N 346.471 1.787 0 40 EDAB C[C@@H]1CNCCN1S(=O)(=O)c1sccc1Br 54370995 UIVKXDWFEROBIK-SSDOTTSWSA-N 325.253 1.493 0 40 EDAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCOCC2)nc1 23995479 IDGZCHBXXCMIBC-UHFFFAOYSA-N 327.450 1.726 0 40 EDAB Nn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nncc1=O 27546208 MBUPLLCZNXTDQW-UHFFFAOYSA-N 346.199 1.390 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CCCCNC1=O)c1ccc(-n2ccnc2)cc1 43148078 QEUZVKYWAAADGI-CJNGLKHVSA-N 341.415 1.901 0 40 EDAB C[C@@H]1CN(CCNC(=O)Nc2nnc(C3CC3)s2)C[C@@H](C)O1 43359765 RSYFBCUZGSIUMH-NXEZZACHSA-N 325.438 1.646 0 40 EDAB Cc1cc(CN(C)C(=O)C[C@@H](NC(N)=O)c2ccccc2F)no1 25139281 BKDGLXPTMRWFOP-CQSZACIVSA-N 334.351 1.880 0 40 EDAB Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1 110700382 MJRDIJXZTKKXKI-USXIJHARSA-N 342.420 1.711 0 40 EDAB CC[C@H]1CN(CC(=O)NCCC2=CCCCC2)CCN1C[C@H](C)O 106906662 HENMWVSEJAZYQD-WMZOPIPTSA-N 337.508 1.770 0 40 EDAB Cc1ccccc1C1(C(=O)NCCN2CCOCC2)CCOCC1 57381447 FELVTYUDFDFZBC-UHFFFAOYSA-N 332.444 1.492 0 40 EDAB COc1ccc(C)cc1NC(=O)CN1CCN(c2ncccn2)CC1 57399134 WANYZEIULWTCHJ-UHFFFAOYSA-N 341.415 1.554 0 40 EDAB COC(=O)c1ccc2nc(NC(=O)CSCC(=O)O)sc2c1 3117183 MOMGFSGBUSLZEI-UHFFFAOYSA-N 340.382 1.839 0 40 EDAB Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H]3CCCO3)CC2)n1 57419164 QECLIKRRWCMDJM-OAHLLOKOSA-N 346.431 1.929 0 40 EDAB COCCn1cnnc1SCCCN1C(=O)c2ccccc2C1=O 57648365 DUQLZESCLCJMPG-UHFFFAOYSA-N 346.412 1.703 0 40 EDAB Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NCC(=O)NC(N)=O 57841766 KVNMJAVPRLCYPE-VXGBXAGGSA-N 346.431 1.720 0 40 EDAB COC(=O)c1cc(CNC(=O)c2ccnc(-n3ccnc3)c2)oc1C 58101818 PPTNUKUKAGRPTD-UHFFFAOYSA-N 340.339 1.885 0 40 EDAB CC(C)CN(CC(N)=O)CC(=O)N[C@H](C)c1ccccc1Cl 44898721 LTWXXPROMSDYHZ-GFCCVEGCSA-N 325.840 1.961 0 40 EDAB C[C@H](c1cccs1)N(C)C(=O)Cn1nnn(-c2cccs2)c1=O 44892999 WHOHNUNIQAMEJR-SNVBAGLBSA-N 349.441 1.772 0 40 EDAB NC(=O)[C@@H](OC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 10206777 KDRJLQHEDCWYKY-INIZCTEOSA-N 337.335 1.166 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCNc3ncccn3)CC2=O)cc1 44917748 TVWJEVAKVYYGOV-AWEZNQCLSA-N 339.399 1.366 0 40 EDAB CC(C)Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)NC2CCCC2)no1 44938679 MPZHEQMMIGNDHH-NSHDSACASA-N 343.449 1.630 0 40 EDAB CC(=O)NCC1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 44953080 CMXSJYFHEAAETM-UHFFFAOYSA-N 332.326 1.277 0 40 EDAB CCC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)NC)cn2C)CC1 58393731 PNQKOTXGANNZDP-CYBMUJFWSA-N 341.477 1.976 0 40 EDAB C[C@H]1CCc2sc3ncn4nc(C(=O)NCCO)nc4c3c2C1 2214014 JJRFPXKVLTTXIO-QMMMGPOBSA-N 331.401 1.186 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2cc(F)ccc2C)C1=O 3385951 UFUDLRCDHLOLEY-UHFFFAOYSA-N 335.335 1.664 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)CCCc1nc2ccccc2o1 48232029 VJXBITGJGQTTFY-AWEZNQCLSA-N 331.416 1.987 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1 48324924 ZXRAZLQUPRCJJX-UGSOOPFHSA-N 344.367 1.795 0 40 EDAB O=C(NCCNC(=O)c1cc2ccccc2oc1=O)c1ccco1 23041609 FMANGPCWHHFPOF-UHFFFAOYSA-N 326.308 1.546 0 40 EDAB CC(C)Oc1ccccc1[C@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O 48464803 MMXBBKOWDIXICL-AAEUAGOBSA-N 333.388 1.639 0 40 EDAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 16234396 GJEKFHUYEJSJQJ-UHFFFAOYSA-N 340.383 1.985 0 40 EDAB C[C@H](O)CNc1nc2ccccc2n1CC(=O)NCC(F)(F)F 13138848 OSVAJVAPXSNJPM-VIFPVBQESA-N 330.310 1.508 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(c2ccccc2O)=NO1 13123888 CVRVTUHMAJORTJ-KRWDZBQOSA-N 340.335 1.930 0 40 EDAB CCC(CC)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 7971568 AKUSEZKXCNONKA-UHFFFAOYSA-N 340.445 1.626 0 40 EDAB COc1ccc(CN2CCOCCOCCOCCOCC2)cc1 3898915 QUCYDRNZNXEMKG-UHFFFAOYSA-N 339.432 1.577 0 40 EDAB O=C(CN1CCC(CN2CCOCC2)CC1)NCc1ccccc1 69030018 ZSPCXUOBAGGORK-UHFFFAOYSA-N 331.460 1.347 0 40 EDAB O=C(C[C@@H]1C(=O)Nc2ncnn21)Nc1ccccc1C(F)(F)F 13686851 NDCVHUHWUCLFOD-SECBINFHSA-N 325.250 1.819 0 40 EDAB O=C1CC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3F)ccc2N1 5035756 KBCRYDJFLULVIB-UHFFFAOYSA-N 349.343 1.907 0 40 EDAB CCc1noc(-c2ccc(CCNC(=O)c3nccnc3N)cc2)n1 69461259 NVOWVGDTYQULAQ-UHFFFAOYSA-N 338.371 1.644 0 40 EDAB NC(=O)COc1ccc(C(=O)N2CCCC[C@H]2Cn2cccn2)cc1 70018296 VYJWUVFIZUOXPJ-HNNXBMFYSA-N 342.399 1.442 0 40 EDAB O=C(NCC(F)(F)F)N1CCN(C[C@@H](O)c2ccccc2)CC1 70013120 SBDUMBQKGUVUBS-CYBMUJFWSA-N 331.338 1.610 0 40 EDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408607951 RDTIFEJCQSKBOG-CYBMUJFWSA-N 340.445 1.621 0 40 EDAB COc1ccccc1COC[C@@H](O)CN1CCn2c(nc(C)c2C)C1 65474457 RNPKVPIIYUCERY-KRWDZBQOSA-N 345.443 1.902 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N(CC(N)=O)C1CCCC1 65473066 QYPDKFVYWLVGKB-UHFFFAOYSA-N 345.428 1.779 0 40 EDAB CC(C)[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCCC1=O 65531496 MVIBXUOWDJFBOZ-GOSISDBHSA-N 346.427 1.764 0 40 EDAB CN1C[C@@H](C(=O)Nc2cccc(I)c2)CC1=O 65542572 QRIXKQOPUGGELF-QMMMGPOBSA-N 344.152 1.708 0 40 EDAB Cc1cc(C)c(C)c(OCCCNC(=O)Cn2ccc(=O)[nH]c2=O)c1 14137186 FFBIDFYLJIBWIP-UHFFFAOYSA-N 345.399 1.047 0 40 EDAB CC(=O)N1CCN(C(=O)N[C@H](c2ccccc2)c2nccn2C)CC1 65607517 XMIPSMGCYNBLKX-MRXNPFEDSA-N 341.415 1.383 0 40 EDAB Cc1ccc([C@@H](CNc2ncnc3c2cnn3C)N2CCOCC2)o1 14279783 YKQMAJQBSNZSJG-CQSZACIVSA-N 342.403 1.750 0 40 EDAB CC(=O)c1ccccc1NC(=O)Cn1c(-c2ccccn2)noc1=O 69510264 DRAMQVTYHGIVCK-UHFFFAOYSA-N 338.323 1.740 0 40 EDAB CN(CC1CCN(CCO)CC1)C[C@H](O)c1ccc(F)cc1F 69974317 ZCFCWMUSZTWHSP-KRWDZBQOSA-N 328.403 1.634 0 40 EDAB COc1cccc(COCC(=O)N2CCn3c(nnc3C(C)C)C2)c1 69929753 FPORDHFLWFLSLH-UHFFFAOYSA-N 344.415 1.969 0 40 EDAB O=C(OCC(=O)N1CCNC1=O)c1ccccc1Cc1ccccc1 5828768 QXPLLRVYOAFQJO-UHFFFAOYSA-N 338.363 1.986 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)Nc1ncn(Cc2ccccn2)n1 69600615 QLAGOHLXHSMWCR-UHFFFAOYSA-N 347.375 1.970 0 40 EDAB Cn1cc([C@@H]2CCCN2CC(=O)NCc2ccc3c(c2)OCO3)cn1 69666951 CEQRRAAMXJNCRN-HNNXBMFYSA-N 342.399 1.602 0 40 EDAB Cc1cccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c1C 4942255 UKNWPUNPCQDPRV-YBSJNODJSA-N 343.379 1.983 0 40 EDAB CN(C)S(=O)(=O)c1cccc(Cn2cnc3ccccc3c2=O)c1 17478035 RLVIXZPBERLULG-UHFFFAOYSA-N 343.408 1.695 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)NCCc1cccs1 69924263 JZNHMDJCNKTNSW-SJORKVTESA-N 349.500 1.882 0 40 EDAB Cc1nc([C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)c2ccccc2)n[nH]1 69775592 AWGNGZAJJSBDIL-SMDDNHRTSA-N 343.431 1.870 0 40 EDAB C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCN(C)c1ccccc1 69776864 GXOCZBMOPAZPNI-HOTGVXAUSA-N 346.475 1.167 0 40 EDAB COc1ccc(CN2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 8991019 KPEUHEPSDOSTDO-MFKMUULPSA-N 342.442 1.353 0 40 EDAB Cc1nc(COc2ccc(CN[C@H]3CCS(=O)(=O)C3)cc2)no1 71828151 WUIUJPZTZFMYRH-ZDUSSCGKSA-N 337.401 1.234 0 40 EDAB O=C1CCc2ccccc2N1CCC(=O)N1CCOC[C@@H]1C1CC1 89976896 IMZDMJSYUSZSDC-QGZVFWFLSA-N 328.412 1.993 0 40 EDAB Cn1ccc(CN[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1=O 71828281 NHINKUDJWPHRSL-SFHVURJKSA-N 341.411 1.075 0 40 EDAB C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1cc[nH]n1 71911636 KGSBFEOZKNUWFQ-ZYHUDNBSSA-N 338.408 1.786 0 40 EDAB Cc1nc(COC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)no1 71913771 QYAKEJPPAVPHNC-SECBINFHSA-N 329.378 1.731 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CCO1 9854055 ZHQIQACLQKLLEJ-GFCCVEGCSA-N 338.429 1.260 0 40 EDAB COCC[C@](C)(O)CNC(=O)Nc1cccc(N2CCOC2=O)c1 72285526 VCNBUTVTJVAMCJ-INIZCTEOSA-N 337.376 1.552 0 40 EDAB O=C(NCc1ccn(C2CCCC2)n1)NC[C@@H]1CC(=O)N(C2CC2)C1 97058409 UMKQWPDGOLIGBG-ZDUSSCGKSA-N 345.447 1.808 0 40 EDAB NC(=O)CCNC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 79146678 KHZXQJVFMZVZFG-UHFFFAOYSA-N 341.293 1.888 0 40 EDAB O=C(Cc1cccc(O)c1)NC[C@H](O)CN1CCc2ccccc2C1 97236738 MMVZKGDHPJDSRY-IBGZPJMESA-N 340.423 1.470 0 40 EDAB CCOc1cc2c(cc1CN[C@@H]1CCS(=O)(=O)C1)O[C@@H](C)C2 72712750 HGICHLNNLIHCSW-SMDDNHRTSA-N 325.430 1.685 0 40 EDAB CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)CCc2ccccc2F)CCO1 95403576 UOBAJZYOTGUQGQ-CZUORRHYSA-N 336.407 1.758 0 40 EDAB CSc1cccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCC3)c1 95461164 APECCRVPVGSARE-SNVBAGLBSA-N 345.428 1.762 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2Cc3cccc(F)c3O2)C[C@H]1N1CCOCC1 84735769 GRFPLXBLXSVLCL-XYPHTWIQSA-N 348.418 1.698 0 40 EDAB CC[C@H]1CN(C(=O)CCCc2nc(C)no2)C[C@@H]1N1CCOCC1 84735796 AAFOZIGQPAEAIL-GJZGRUSLSA-N 336.436 1.270 0 40 EDAB CN(C(=O)NCc1ccccc1-n1ccnc1)[C@H]1CCS(=O)(=O)C1 98033529 GERIXISSIFAIBZ-AWEZNQCLSA-N 348.428 1.201 0 40 EDAB C[C@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)C[C@H](C)S1 74095466 LONNMKVULWBUAJ-HOTGVXAUSA-N 348.516 1.946 0 40 EDAB CN(C)C(=O)CN(C)C(=O)N1CCc2ccc(Br)cc21 95964311 HOIQCFJWOQIYLE-UHFFFAOYSA-N 340.221 1.952 0 40 EDAB C[C@H](OC(=O)[C@H]1COCCN1C)C(=O)Nc1cccc2ncccc12 95942947 LUJRMPYJPNIXDQ-BLLLJJGKSA-N 343.383 1.436 0 40 EDAB COc1ccc(CNS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1 21820345 KQBKNQLKGJVKDL-UHFFFAOYSA-N 348.424 1.810 0 40 EDAB CCCCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC)cc1 408594254 ODORGACFKPVQBP-GFCCVEGCSA-N 328.434 1.668 0 40 EDAB CC(=O)c1c(SCC(=O)NCc2ccccc2F)nc(=O)[nH]c1C 32899834 JSBNHYQVDOHNOG-UHFFFAOYSA-N 349.387 1.829 0 40 EDAB Cc1ccc(C(=O)CSc2nnc(N3CCOCC3)n2C)s1 33142335 VBETXLTXFYNQAR-UHFFFAOYSA-N 338.458 1.997 0 40 EDAB CC[C@]1(C)CN(C(=O)NCCc2nnc3n2CCCCC3)CCO1 187758137 UUJZJCYPVWCCGT-QGZVFWFLSA-N 335.452 1.758 0 40 EDAB NCC(=O)N1CCC[C@H]1CN(C(=O)OCc1ccccc1)C1CC1 79412545 DGTKVPKUZLKWSP-INIZCTEOSA-N 331.416 1.737 0 40 EDAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CO)C3)n2)n1 72360065 NURMNWFRXIHVBA-CQSZACIVSA-N 341.415 1.930 0 40 EDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCCn2cccn2)cc1 76876932 RBPVHJXZOUBRAF-MRXNPFEDSA-N 327.384 1.926 0 40 EDAB Cn1cc([C@@H]2CSCCN2C(=O)NCCc2ccnn2C)cn1 189980335 OELAPPPIHCIAIZ-AWEZNQCLSA-N 334.449 1.196 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)NC1(C(=O)O)Cc2ccccc2C1 539606040 RABDSYYVSBJTPA-UHFFFAOYSA-N 339.347 1.696 0 40 EDAB Cc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)s1 31810459 DHYVHBKRSWUUTI-UHFFFAOYSA-N 328.353 1.857 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 72367548 WWXHOORKZXONPF-OAHLLOKOSA-N 335.433 1.705 0 40 EDAB COCCS(=O)(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1 72265430 VSAGEJITLZQSIM-UHFFFAOYSA-N 344.433 1.067 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72367550 RMQFGDSKXKFVGW-OAHLLOKOSA-N 349.460 1.715 0 40 EDAB CCN1CCN([C@H](c2ccc(F)cc2)c2nnnn2CCOC)CC1 35310856 NPFMLKQZPFUEDZ-MRXNPFEDSA-N 348.426 1.186 0 40 EDAB COCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 72327035 MQUCFZAFICAVKE-DZDCQFRTSA-N 343.427 1.737 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1cccn1C 75155112 JFIVBDZCLQKPBH-ZDUSSCGKSA-N 328.821 1.999 0 40 EDAB Cc1nc(CCC(=O)NCc2ccncc2)cc([C@@H]2CCCNC2)n1 72366928 CSZFPLVGBHFNOB-MRXNPFEDSA-N 339.443 1.896 0 40 EDAB c1cn(CCCSc2nnnn2-c2ccc3c(c2)OCO3)cn1 185554389 RIGQCJIQARNJLT-UHFFFAOYSA-N 330.373 1.770 0 40 EDAB CNC(=O)c1ccc(Cl)c(NCC(=O)N(C)Cc2cnn(C)c2)c1 78920987 ZLGBTQCDKUXFCT-UHFFFAOYSA-N 349.822 1.504 0 40 EDAB Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccc(C)s3)C2)nn1 225431624 SHSUFLPTODHAGL-GFCCVEGCSA-N 339.442 1.997 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)(C)C)cc1 226056417 VFIHAHQNWBSGQV-UHFFFAOYSA-N 328.434 1.478 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N(C)c2cccc(OC)c2)CC1 222612507 AFLDQGAVBMTBMM-UHFFFAOYSA-N 340.445 1.720 0 40 EDAB Cc1cnccc1OC1CCN(C(=O)N[C@H]2CC[S@@](=O)C2)CC1 570896418 KOIWNBPXEODKHO-ZAMGYDSWSA-N 337.445 1.464 0 40 EDAB COC(=O)[C@H](CNC(=O)C1=COCCC1)Cc1ccc(O)c(F)c1 521394854 RMDVYGHDDIJCQL-ZDUSSCGKSA-N 337.347 1.674 0 40 EDAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(N)(=O)=O 223038951 VMTJKQMDCCVNFS-UHFFFAOYSA-N 346.408 1.541 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 83204727 HORRYLYPQNPMQM-MELADBBJSA-N 335.452 1.297 0 40 EDAB CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCCO2)c1 223235528 RSUDTRYRUOTTIF-OAHLLOKOSA-N 340.445 1.880 0 40 EDAB Cc1cc2c(cc1S(=O)(=O)NCc1cccnc1)oc(=O)n2C 223332964 ZPAKJXRWUNXING-UHFFFAOYSA-N 333.369 1.313 0 40 EDAB O=C(C1=COCC1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 95397303 KYOODCRFBGGABI-UHFFFAOYSA-N 325.368 1.757 0 40 EDAB COCCNC(=O)[C@H]1CN(Cc2csc(C)n2)Cc2ccnn2C1 96188793 VGSINSGJKDJRLZ-ZDUSSCGKSA-N 349.460 1.043 0 40 EDAB COc1cccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c1 96121122 SZJGMDBLKJKNMC-UHFFFAOYSA-N 343.387 1.644 0 40 EDAB CCc1ccccc1NC(=O)CNC(=O)C(F)(F)C1(O)CCC1 96486194 AKQKHMWICDEBPK-UHFFFAOYSA-N 326.343 1.854 0 40 EDAB CCNC(=O)[C@H](C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96101097 BQQFQXBYZZEZIM-NSHDSACASA-N 331.372 1.625 0 40 EDAB Cc1cccn(CC(=O)Nc2sccc2C(=O)NC2CC2)c1=O 97103481 XMRPAGPKZLZALC-UHFFFAOYSA-N 331.397 1.749 0 40 EDAB CCCS(=O)(=O)N1CCC(Cc2ncc(C(=O)O)s2)CC1 1595979818 ACAHPDNYOHLWAH-UHFFFAOYSA-N 332.447 1.836 0 40 EDAB O=C([C@H]1CN(Cc2cccnc2)CC12CCOCC2)N1CCCC1 96052189 DGXIYPBLVMJWCR-QGZVFWFLSA-N 329.444 1.933 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)C1CC=CC1)CC2 96083803 PLEJBJDBQNHILF-UHFFFAOYSA-N 342.443 1.515 0 40 EDAB CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccc(OC)cc3)C[C@H]2N1C(C)C 96054230 IQGWHPNILDHOEE-RYQLBKOJSA-N 331.460 1.724 0 40 EDAB Cc1ccc2cc(C3N4CC5(C)CN3CC(C)(C4)C5O)c(=O)[nH]c2c1 95479649 DHFDFQTXGCUYEW-UHFFFAOYSA-N 339.439 1.853 0 40 EDAB Cc1[nH]c2c(F)cccc2c1CCNC(=O)CSc1nnnn1C 98087230 FCXPMQOWCQFDIR-UHFFFAOYSA-N 348.407 1.590 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(Cc2ncc(Cl)n2C)C1 583615085 DXWHUQROPOKKLM-MNOVXSKESA-N 347.810 1.473 0 40 EDAB CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cccc(F)c1)CC[C@H]2OC 96208962 BQKVRDIQERJHLS-ARFHVFGLSA-N 342.436 1.555 0 40 EDAB CN1CCN([C@@H]2COC3(CCN(C(=O)c4ccsc4)CC3)C2)CC1 96048855 UJAFUTQCMJOCGM-INIZCTEOSA-N 349.500 1.759 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@@H]3CC2)c(C)o1 96249255 QEWJOMDRUNQROY-MSOLQXFVSA-N 349.475 1.763 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)o1 584187832 QHQNZQLSCAMHDX-CXAGYDPISA-N 342.399 1.946 0 40 EDAB CC(C)N1C(=O)C2(CCN(S(C)(=O)=O)CC2)c2cc(F)ccc21 96261748 VYZZFJJSAIVTSX-UHFFFAOYSA-N 340.420 1.874 0 40 EDAB O=C1N[C@]2(C[C@H]3CC[C@H]2N3C(=O)[C@H]2CCCO2)Nc2ccccc21 247856230 JWZZKZSJYROUJW-FSUOKIBISA-N 327.384 1.481 0 40 EDAB C[C@H](OCc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 245338810 OQEUIAROTJBGDF-HLLBOEOZSA-N 330.428 1.919 0 40 EDAB CCC(=O)N1CCCC[C@H]1c1ccnc2c(C(=O)N(C)C)cnn12 257294693 QVHLSQWJLPFCRL-ZDUSSCGKSA-N 329.404 1.895 0 40 EDAB CCOc1ncccc1C(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257219061 DFLRSKDPORMCME-GJZGRUSLSA-N 330.388 1.515 0 40 EDAB CC1(C)CNC(=O)[C@H]1NS(=O)(=O)Cc1cccc2cccnc12 585094244 VRCSWNFBUCMNLZ-CQSZACIVSA-N 333.413 1.179 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)CCCn2cccn2)CCO1 257272351 NCCCMKUCOBLDDF-CYBMUJFWSA-N 330.392 1.095 0 40 EDAB O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1coc(CO)c1 585121212 INVKZNZFTDZJMM-CQSZACIVSA-N 344.367 1.182 0 40 EDAB Cc1cc(Br)c2[nH]nc(NC(=O)[C@H]3COCCO3)c2c1 585129110 YCQVQAUJUXZMLP-SNVBAGLBSA-N 340.177 1.988 0 40 EDAB NC[C@]1(C(=O)O)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252516519 TVYBASPXJYIUKE-INMHGKMJSA-N 331.393 1.656 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1CC(=O)N1CCCC1 257316436 VFOSGAHRGYILDE-KRWDZBQOSA-N 345.443 1.523 0 40 EDAB CS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@H](n3nccn3)C2)cc1 253471124 BGSBFKVQTKARAA-CQSZACIVSA-N 348.428 1.088 0 40 EDAB CC(=O)N1CCC(C(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)CC1 257342043 ZMVGVNGVUSDVPY-QGZVFWFLSA-N 344.459 1.767 0 40 EDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCc2nc(C(C)C)no2)[C@H]1O 257278924 OEFHDNDIRWUICD-XJKCOSOUSA-N 347.419 1.511 0 40 EDAB Cc1cc(CCC(=O)O)nc([C@@H]2CCCN(C(=O)C(C)(C)N)C2)n1 257242880 IEOYFVFBDDBNAS-GFCCVEGCSA-N 334.420 1.246 0 40 EDAB O[C@@H]1[C@@H](N2CCCC2)[C@H](Nc2ncccn2)C[C@H]1Oc1ccccc1 257266915 MFDSGJAFICGMNX-BDXSIMOUSA-N 340.427 1.934 0 40 EDAB NC1(C(=O)N2CCCC[C@H]2c2cc(O)n3nccc3n2)CCCC1 257246157 ISVAWUHKVLWBIK-ZDUSSCGKSA-N 329.404 1.760 0 40 EDAB Cc1csc2ncc(C(=O)NC3CCC(C(=O)O)CC3)c(=O)n12 262213400 TXTBIKXNNQOHKF-UHFFFAOYSA-N 335.385 1.438 0 40 EDAB Cc1nc2ccc(N3C(=S)N[C@H]4CS(=O)(=O)C[C@@H]43)cc2s1 575424285 UMVZDJRGLFFNOO-QWRGUYRKSA-N 339.467 1.465 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 575406712 QXAVPPLTPKMOHU-MRXNPFEDSA-N 348.447 1.355 0 40 EDAB CO[C@H]1CN(C(=O)COc2ncccn2)CC[C@@H]1Cc1ccccc1 585280204 ZXEMYWMJIXVMOF-SJORKVTESA-N 341.411 1.962 0 40 EDAB Cc1ccc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)nc1 44896058 IRGZEGFJRBCXKU-ZDUSSCGKSA-N 328.294 1.902 0 40 EDAB CNC(=O)c1ccc(CNC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 47647585 JOIZZPIJJBCTMZ-UHFFFAOYSA-N 339.355 1.538 0 40 EDAB COc1ccc(O[C@@H](C)C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 55121507 PQPGPBJRPOTRQN-NHYWBVRUSA-N 327.402 1.156 0 40 EDAB O=C1OCC[C@H]1Sc1nnc(N2CCCC2)n1Cc1ccco1 65493706 JVACZOOLBIWKIE-GFCCVEGCSA-N 334.401 1.927 0 40 EDAB CS(=O)(=O)CCNC(=O)N[C@@H](c1ccccc1)c1ccncc1 71799246 SLKMMLRBNJTZAG-HNNXBMFYSA-N 333.413 1.515 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1nccn1CC(F)(F)F)CC2 75603626 RSFHLZOWCAVDKW-SNVBAGLBSA-N 328.342 1.704 0 40 EDAB CS(=O)(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1 96098194 XLBQOMLXFXHCOS-UHFFFAOYSA-N 331.821 1.754 0 40 EDAB CN(C(=O)c1cc(-c2ccc(F)cc2)n(C)n1)[C@@H]1CCC[C@@H](O)[C@@H]1O 1615076094 KNLDKAKTCHPQOE-DJIMGWMZSA-N 347.390 1.573 0 40 EDAB COc1ccc(S(=O)(=O)NC(=O)c2cn3c(n2)CCC3)cc1C 1615046791 VNGXYYPMOTWRLO-UHFFFAOYSA-N 335.385 1.265 0 40 EDAB CNC(=O)c1cccc(CN[C@@H]2c3ccccc3OC[C@@H]2CO)c1 1615045015 YKBYPLZLBVHDGK-YJBOKZPZSA-N 326.396 1.878 0 40 EDAB COc1cc(CS(=O)(=O)N2CCC[C@@H]2c2ccon2)sn1 1615613531 ITQPRSLKZWIBMB-LLVKDONJSA-N 329.403 1.807 0 40 EDAB COc1ccc2ncc(NC(=O)NCCN3CCCCC3)c(O)c2n1 12222670 LSPXGABYPKIRQP-UHFFFAOYSA-N 345.403 1.951 0 40 EDAB CC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1 15772140 NUWGRUPDXKEKEK-UHFFFAOYSA-N 341.323 1.911 0 40 EDAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(N)=O 6355027 HOBSEOZCBZSDPP-GHXNOFRVSA-N 336.369 1.616 0 40 EDAB O=S(=O)(c1ccccc1F)N1CC[C@H](n2cc(C3CC3)nn2)C1 239578934 DBJRBVKMMLCTLS-LBPRGKRZSA-N 336.392 1.930 0 40 EDAB CC(=O)O[C@@H]1C[C@H](C(C)(C)O)O[C@@H]2CC[C@](C)(O)[C@@H](C(=O)O)[C@@]12C 252516249 QRCCFDIDLFCYHO-WWVGUFAPSA-N 344.404 1.098 0 40 EDAB biogenic,in-vitro CC(=O)N1CCCN(CC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)CC1 16443745 LKMMILBKOLUELR-ZDUSSCGKSA-N 347.415 1.147 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)no1 1888853389 RCVVRGBWNZRDSI-OKILXGFUSA-N 339.399 1.859 0 40 EDAB COc1ccc(S(=O)(=O)NC2CN(C3CCOCC3)C2)cc1C 1888860056 UUEWBADVRUVZQZ-UHFFFAOYSA-N 340.445 1.145 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)COc2ccccc2F)CC1 26781739 CUYAOFDEQMYSQQ-CYBMUJFWSA-N 326.368 1.340 0 40 EDAB CC1(C)NC(=O)N(CC(=O)Nc2cccc(N3CCCC3=O)c2)C1=O 26777076 LSDKGWHEOKEROD-UHFFFAOYSA-N 344.371 1.082 0 40 EDAB Cn1cnnc1SCc1nc(CC(=O)NCc2ccccc2)no1 32322237 IPBJELXFKOEFLW-UHFFFAOYSA-N 344.400 1.349 0 40 EDAB O=C(c1ccsc1)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565543196 QERJBCVTNFSRAS-HOTGVXAUSA-N 329.425 1.869 0 40 EDAB Cc1cccc(C)c1-n1nnn([C@H]2CC(=O)[C@@H]3OC[C@H]2O3)c1=S 6659571 SJGXZUZHZUEVGZ-ZKYQVNSYSA-N 332.385 1.671 0 40 EDAB Cn1cccc(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1=O 206768494 XMYZRDARLBOPCV-UHFFFAOYSA-N 338.363 1.687 0 40 EDAB O=C(c1ccoc1)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 225606507 ZPVWSWZXBHBHGY-UHFFFAOYSA-N 328.372 1.411 0 40 EDAB CC(=O)Oc1ccccc1C(=O)NCc1nc(-c2cnn(C)c2)no1 575414340 GFNIAMLASXNOMP-UHFFFAOYSA-N 341.327 1.325 0 40 EDAB COc1ccc(CN2CCN(c3ncnc4cnccc34)CC2)cn1 2298065726 AMHISGITCMDPLG-UHFFFAOYSA-N 336.399 1.751 0 40 EDAB CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 31135115 NQZLZXFWILRDMS-JTQLQIEISA-N 337.401 1.008 0 40 EDAB Cn1cnnc1CNC(=O)COc1ccc(F)cc1Br 40497613 WPYLFQSNKXNPCN-UHFFFAOYSA-N 343.156 1.412 0 40 EDAB O=C(NCCCNCCCNC(=O)c1ccccn1)c1ccccn1 2204588 XVLZUGWCJACEOC-UHFFFAOYSA-N 341.415 1.006 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)c3ccc(O)nn3)cn2)C[C@@H](C)O1 40535800 NRJFEIIJVVPKCI-TXEJJXNPSA-N 343.387 1.121 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)nc1 40553327 BYBPTHQQSOJSGH-CQSZACIVSA-N 347.396 1.556 0 40 EDAB COC(=O)[C@@H](NC(=O)N1CCN(CCc2ccccn2)CC1)C(C)C 31810700 DHPIXNBCVQHPSJ-INIZCTEOSA-N 348.447 1.149 0 40 EDAB CCCCc1nc(CN2CCC[C@H](CNS(N)(=O)=O)C2)cs1 69872517 HWCPTIOGVYUZPH-GFCCVEGCSA-N 346.522 1.491 0 40 EDAB C[C@H](c1cccs1)N(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 67623137 COXACSUMHISGCI-VXGBXAGGSA-N 345.490 1.875 0 40 EDAB CSCC[C@@H](C)N(C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101192348 YODJCWXMRNVOQK-NUNXZZDCSA-N 336.457 1.394 0 40 EDAB NC(=O)[C@H]1CN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCO1 51585247 FOFXXSKVSJIANL-QGZVFWFLSA-N 337.379 1.976 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCO[C@@H](C)C1 11500259 ZGBHSOVOWZCHOZ-LBPRGKRZSA-N 327.384 1.919 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1 29206923 HOYPFNMGYKXCDT-HSBSLETESA-N 342.848 1.893 0 40 EDAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc[nH]n1 45963879 QNZXPERQLXPTQZ-UHFFFAOYSA-N 334.401 1.124 0 40 EDAB NC(=O)[C@H]1CC(C(=O)Nc2nccs2)=NN1c1ccc(F)cc1 29434161 XGDDTYVIQUVERN-LLVKDONJSA-N 333.348 1.341 0 40 EDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 339782 RVWRVVJZXSWDBY-UHFFFAOYSA-N 332.809 1.699 0 40 EDAB Cn1cc(C(=O)NC2CC3(CCN(Cc4cncn4C)CC3)C2)cn1 108532335 OVABKCHYZCMFTE-UHFFFAOYSA-N 342.447 1.328 0 40 EDAB COc1ccc(C2=CCN(C(=O)CN(CC(N)=O)C(C)C)CC2)cc1 51966388 GVIRYTRZDIJTGY-UHFFFAOYSA-N 345.443 1.507 0 40 EDAB Nc1nc(SCCN2c3cccc4cccc(c34)S2(=O)=O)n[nH]1 32741542 UGWAWGHYARMVLT-UHFFFAOYSA-N 347.425 1.841 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)COc2cccc(F)c2)c2ccccc2O1 15617035 LEJUAMUKRQNRQZ-MRXNPFEDSA-N 344.342 1.745 0 40 EDAB CCOC(=O)c1ccc(NC(=O)C[C@H]2Sc3ncnn3C2=O)cc1 2671291 WRZAQHCKPITACT-LLVKDONJSA-N 346.368 1.598 0 40 EDAB CC(C)NC(=O)CNC(=O)c1nn(-c2ccccc2)c2c1CCC2 32869195 BXRNPQUDSPQUMQ-UHFFFAOYSA-N 326.400 1.615 0 40 EDAB CC(C)NC(=O)N1CCC[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C1 32912944 RNIMGFNQWHRRFJ-LBPRGKRZSA-N 329.404 1.753 0 40 EDAB Cc1csc(=O)n1CCC(=O)OCc1nnc(-c2ccco2)o1 9748129 FKEUEIYWAFDDPQ-UHFFFAOYSA-N 335.341 1.995 0 40 EDAB CN(Cc1ccc(Br)o1)C(=O)[C@@H]1CCS(=O)(=O)C1 41382959 PTOZDFAAECFYEU-MRVPVSSYSA-N 336.207 1.435 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCO[C@@H]2CCCC[C@H]21 46487894 DHXZOIVXFJAKGR-HZPDHXFCSA-N 343.431 1.844 0 40 EDAB COCCOc1ccc(CNC(=O)c2cn3cccnc3n2)cn1 53517273 AFACSJQNSKJGBC-UHFFFAOYSA-N 327.344 1.080 0 40 EDAB NC(=O)[C@@H]1CCCN(CC(=O)N2CCC(Cc3ccccc3)CC2)C1 7446284 OLHOITVWVBHGIT-GOSISDBHSA-N 343.471 1.665 0 40 EDAB COCCCN1C(=O)/C(=C/c2ccc(COC(C)=O)o2)N=C1S 2740938 RVECRSCHWWWKSP-JYRVWZFOSA-N 338.385 1.848 0 40 EDAB Cc1cnc(N2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1 107230364 ZFWGPWGUXKTTEG-MAUKXSAKSA-N 346.431 1.019 0 40 EDAB Cn1ccs/c1=N\C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 102734316 SCUHYVYRODRXGP-MHMQGTJDSA-N 329.381 1.033 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCCc1cnn(C)c1 46988011 PCCHZXVXPPJMSX-AWEZNQCLSA-N 330.388 1.444 0 40 EDAB O=C(C1CCN(Cc2nc(-c3cccnc3)no2)CC1)N1CCCC1 54619289 YPIDJNBVUJIRGL-UHFFFAOYSA-N 341.415 1.966 0 40 EDAB O=C(Cn1cnnn1)Nc1ccn(Cc2cccc3cccnc23)n1 61314949 HYCMYPVEAOVONP-UHFFFAOYSA-N 334.343 1.105 0 40 EDAB C[C@@H](NC(=O)NCCCn1nc2n(c1=O)CCCC2)c1ccccc1 42846116 ROOLGLKETRSGRK-CQSZACIVSA-N 343.431 1.832 0 40 EDAB C[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@@H]12 100556817 LTJAGZKGLNGMHB-YKTARERQSA-N 340.379 1.356 0 40 EDAB CC(C)n1cnnc1SCC(=O)NC[C@H]1COc2ccccc2O1 42981680 TVIOQQVILZXQFJ-LBPRGKRZSA-N 348.428 1.907 0 40 EDAB COc1ccc(C)cc1NC(=O)CCc1c(C)[nH]c(=O)n(C)c1=O 23142068 DSCRLAPTZPCFDJ-UHFFFAOYSA-N 331.372 1.270 0 40 EDAB Cn1nc2c(c1NC(=O)c1ccc(-n3cnnn3)cc1)CSC2 61717822 FHFASPWRZLWRSS-UHFFFAOYSA-N 327.373 1.395 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCC(C(=O)Nc2ccncc2)CC1)C(C)C 24703520 XLVBUUIZLXLJMP-MRXNPFEDSA-N 346.431 1.419 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N3CCC[C@@H]3C3CCCCC3)cnc21 55600024 YAAMASZVWMLJDW-OAHLLOKOSA-N 343.431 1.701 0 40 EDAB Cn1cc(S(=O)(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cn1 56137539 OBZXORDZQGLDRJ-LSDHHAIUSA-N 339.392 1.758 0 40 EDAB Cc1ccc2nc(CNC(=O)c3ccc4c(c3)NC(=O)CN4C)cn2c1 57268191 HAACBNGMCIMOAY-UHFFFAOYSA-N 349.394 1.961 0 40 EDAB Cc1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)nc1 69675110 BOWPHCLKRYHQML-UHFFFAOYSA-N 340.426 1.903 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)Cn1ccccc1=O)c1cccc(F)c1 44890263 NEOKXVAMGWTBBZ-KRWDZBQOSA-N 340.358 1.627 0 40 EDAB C[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)N1CCOCC1 58266355 TWICWJQSXVKXKU-HZMBPMFUSA-N 338.791 1.007 0 40 EDAB C[C@@H](Sc1nc(O)c2cc(F)ccc2n1)C(=O)N1CCOCC1 58290265 KRRJPTQPXILLOL-SECBINFHSA-N 337.376 1.814 0 40 EDAB C[C@@H](C(=O)NCCCNc1ccc(C(F)(F)F)cn1)n1cncn1 44942817 ISAUDLFCMDHHMN-JTQLQIEISA-N 342.325 1.871 0 40 EDAB CO[C@H](C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 44955682 MTCPOZBWUSAJNJ-HIFRSBDPSA-N 340.445 1.162 0 40 EDAB CCC[C@@H](C)NC(=O)CS(=O)(=O)c1ccc2c(c1)OCCO2 44947919 QTLXYDBPKZLVEH-LLVKDONJSA-N 327.402 1.536 0 40 EDAB CC[C@@](C)(CNC(=O)NCc1nnc2ccccn12)N1CCOCC1 44951084 VGENJSDETBPEGC-KRWDZBQOSA-N 346.435 1.029 0 40 EDAB CN(C)CCOc1ccccc1CNC[C@@H]1CNc2ccnn2C1 58356805 JSDCQISHDXGMJL-OAHLLOKOSA-N 329.448 1.655 0 40 EDAB COCCN(Cc1ccccc1)S(=O)(=O)c1ncn(C)c1Cl 27974404 MVLWAOVYKQDAKQ-UHFFFAOYSA-N 343.836 1.911 0 40 EDAB Cc1ccc(OC[C@H](C)NC(=O)NCCNc2ncccn2)cc1 58431365 SGOQYOYCCWBKND-AWEZNQCLSA-N 329.404 1.964 0 40 EDAB COc1cccc(CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 24069320 OZSIKQMDHQNRBD-UHFFFAOYSA-N 334.397 1.832 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC1CCCCCC1 12607926 XMZDVIKWCPWNFC-UHFFFAOYSA-N 329.400 1.919 0 40 EDAB Cc1cc(C)c2cc(C(=O)O[C@H](C)C(=O)N3CCNC3=O)[nH]c2c1 48287677 IPHYOGHMBSCXDO-LLVKDONJSA-N 329.356 1.882 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(Cn2cncn2)c1 68546255 XTHDYPOKQNLGNF-STQMWFEESA-N 344.419 1.751 0 40 EDAB COc1ccc2c(C)c(CC(=O)N(C)CC(=O)O)c(=O)oc2c1C 4064595 WADCFKDAKUPJIJ-UHFFFAOYSA-N 333.340 1.504 0 40 EDAB biogenic COc1ccc(Cl)cc1NCC(=O)NC[C@@H](C)N1CCOCC1 63862931 YGXBIDYJRMDXGO-GFCCVEGCSA-N 341.839 1.597 0 40 EDAB O[C@H](CNC1CCN(Cc2ccccc2)CC1)COC[C@H]1CCCO1 6083780 IYPOWFDNHMFMOJ-WOJBJXKFSA-N 348.487 1.797 0 40 EDAB COc1cccc(CNC(=O)N2CCN(c3ncccn3)CC2)c1 17069822 MQJDYYQERPMBDR-UHFFFAOYSA-N 327.388 1.517 0 40 EDAB O=C(NCc1nnnn1C1CC1)[C@@H]1CCCCN1Cc1ccncc1 81303276 ROBYYCHDUUGQTE-HNNXBMFYSA-N 341.419 1.074 0 40 EDAB O[C@H](CN1CCOCC1)CN1CCC(c2nc3ccccc3o2)CC1 8186144 IAGUOTHEQDKUMC-INIZCTEOSA-N 345.443 1.700 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1cnc2c(c1)c(C)nn2C 69161151 HGNXQVOJWRQLQG-GOSISDBHSA-N 349.438 1.950 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1 8288439 FNBIDUPSJYMLOU-UHFFFAOYSA-N 329.381 1.997 0 40 EDAB COC(=O)CCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 4488295 KZFVIIUXGIVARE-LBPRGKRZSA-N 334.372 1.487 0 40 EDAB CCCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)no1 65415414 QYEHVXSVVGOULK-LBPRGKRZSA-N 336.436 1.878 0 40 EDAB COc1cccc(COCC(=O)NCc2c(C)cc(C)[nH]c2=O)c1 65475542 IVMWJFUSWQORMT-UHFFFAOYSA-N 330.384 1.833 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)n1 65514767 OPYWTNDXPYRGMY-JKSUJKDBSA-N 338.411 1.938 0 40 EDAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cnccn2)cc1 6486083 OQCTZXRMXODLKV-SNVBAGLBSA-N 328.328 1.619 0 40 EDAB COc1ccccc1/C=C/C(=O)Nc1cccc(S(N)(=O)=O)c1 6458236 VHUSEVCMDLDNQZ-MDZDMXLPSA-N 332.381 1.995 0 40 EDAB CC(=O)c1ccc(N2CCN(Cn3ncn(C)c3=S)CC2)cc1 14205089 GWXFGCWIDNDRTF-UHFFFAOYSA-N 331.445 1.933 0 40 EDAB Cc1nc(C)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1 6553472 GMLMLCZTWLMGIF-UHFFFAOYSA-N 339.442 1.380 0 40 EDAB CCc1nnc2n1CCN(CC(=O)N1CCCc3ccccc31)C2 69461078 WVWVBTZZBQPLHY-UHFFFAOYSA-N 325.416 1.636 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)N(C)CCN1CCOCC1 66149371 NZOAPFMVECOUIW-HZPDHXFCSA-N 327.469 1.555 0 40 EDAB CN(C)C[C@@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCO1 69818984 LVMPCUAKXFVWFJ-DLBZAZTESA-N 342.867 1.480 0 40 EDAB CCOc1ccc(CN(C)C(=O)CN2CCn3c(C)nnc3C2)cc1 69529828 ZRHSQXGCUYWBIW-UHFFFAOYSA-N 343.431 1.459 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(S[C@@H](C)C(=O)N(C)C)nc1 6981162 FPJKOGCHGPAHQE-NSHDSACASA-N 345.490 1.681 0 40 EDAB CCCc1cc(NCc2ccc(S(N)(=O)=O)cc2)n2ncnc2n1 40554236 SRQQKJJDPOJUBC-UHFFFAOYSA-N 346.416 1.336 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)NCc3ncn(C)n3)CCO2)ccc1F 91791669 YRWDKVJDRRXOGT-AWEZNQCLSA-N 333.367 1.546 0 40 EDAB CN1CCc2nc(NC(=O)CNC(=O)OC(C)(C)C)sc2C1 67211586 SPHIZCWTCUEBDU-UHFFFAOYSA-N 326.422 1.594 0 40 EDAB O=C(NCCN1CCOCC1)Nc1ccc(-n2cccn2)c(Cl)c1 67287039 NWPYTBDDMBZELV-UHFFFAOYSA-N 349.822 1.979 0 40 EDAB Cc1ccc(-c2ccc(C(=O)NC(C(N)=O)C(N)=O)c(F)c2)cc1C 69620385 OKWBEENCBUNMSR-UHFFFAOYSA-N 343.358 1.179 0 40 EDAB Cc1noc(C)c1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 8748392 JAPFDDOPXVGEGL-UHFFFAOYSA-N 334.376 1.366 0 40 EDAB O=C(Cn1cnc2ccc(F)cc2c1=O)NC1(C(=O)O)CCCCC1 71802765 YXIHARZJCKUGDL-UHFFFAOYSA-N 347.346 1.439 0 40 EDAB COCCCC(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1 71858629 XKQMDYCYQJTKII-UHFFFAOYSA-N 342.417 1.073 0 40 EDAB CCc1ccsc1C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 71886476 RWKSXQJGRZFZMM-UHFFFAOYSA-N 337.445 1.121 0 40 EDAB CC1CCN(C[C@H](O)CN2C(=O)NC3(CCCCCC3)C2=O)CC1 71825001 IMJQFEOPLMUDCJ-HNNXBMFYSA-N 337.464 1.724 0 40 EDAB CC[C@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1C[C@@H](C)O 71864646 KPAXHFYQWYNUNS-CVEARBPZSA-N 340.489 1.237 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 71832782 GOVGCXPWFJLGFM-INIZCTEOSA-N 335.835 2.000 0 40 EDAB Cc1ccc(-c2noc(CN3CCN(C[C@@H](C)O)[C@H](C)C3)n2)cc1 71864151 YSCDUKOCBLQNTI-HUUCEWRRSA-N 330.432 1.932 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 96000586 XOVKQSVIYWNPIQ-ZDUSSCGKSA-N 335.385 1.602 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)CCc2ccc(Br)cc2F)C1 71841947 OPKRRUGOPBCCSX-SNVBAGLBSA-N 343.196 1.855 0 40 EDAB C[C@@H](OC(=O)c1ccc(Br)s1)C(=O)N1CCNC1=O 9458677 UIHBIDZGRVZUJW-ZCFIWIBFSA-N 347.190 1.608 0 40 EDAB CN(C)c1nc(N)nc(CSc2nc(-c3ccccc3F)n[nH]2)n1 9690033 CMUWBDLQQGAQJQ-UHFFFAOYSA-N 346.395 1.736 0 40 EDAB CN(CN1CCSC1=S)[C@@H]1CCN(CC(F)(F)F)C1=O 71900364 TXWAONPICOHOFM-MRVPVSSYSA-N 327.397 1.373 0 40 EDAB COc1ccccc1[C@@H](NC(=O)Cc1cc(C)[nH]n1)c1noc(C)n1 89599123 VFXHEWCCACTKIG-MRXNPFEDSA-N 341.371 1.866 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCCc1ccco1 75121433 PUVPNSFAGXXJER-UHFFFAOYSA-N 338.367 1.635 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cn1 75124111 USBSXOCCZLBGQK-VHSXEESVSA-N 326.278 1.869 0 40 EDAB CC(C)[C@@H](C(=O)N(C)C1CCS(=O)CC1)N1C[C@H](C)O[C@H](C)C1 72297892 OZTXSULHRQAAFI-CIDKSWAJSA-N 344.521 1.490 0 40 EDAB CN(C[C@H](c1cccs1)N1CCOCC1)c1ccc2nnnn2n1 72276384 GUXPCAOSEHYLMP-GFCCVEGCSA-N 345.432 1.091 0 40 EDAB O=C(Cc1ccc(O)cc1)NCc1ccccc1CN1CC[C@@H](O)C1 97081930 TYEUVXGDWSOMQB-LJQANCHMSA-N 340.423 1.818 0 40 EDAB Cc1nc2n(c1C)CCN(CC(=O)N1CCc3sccc3C1)C2 97201090 QSEXVEURTHSNEK-UHFFFAOYSA-N 330.457 1.962 0 40 EDAB O=C1CN(C(=O)NCc2ccc3c(c2)OCO3)[C@@H]2CCCC[C@H]2N1 84459166 BKOQRYQGHURXNB-CHWSQXEVSA-N 331.372 1.368 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)C[S@](=O)c2cccc(Cl)c2)C1 89954632 JHBOXOQMTLZNEH-MCMMXHMISA-N 342.848 1.575 0 40 EDAB NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1cc(-n2cccn2)ccn1 84617985 OPJXPWXRQKOYHJ-ZIAGYGMSSA-N 327.388 1.431 0 40 EDAB COc1ccc(C(=O)OCCN2CCOCC2)c(OC)c1OC 95349152 KIBUCDCCSKZETQ-UHFFFAOYSA-N 325.361 1.201 0 40 EDAB CCOc1cccc(CCNC(=O)N[C@H]2CCc3[nH]ncc3C2)n1 95422029 XQGJHVYNJJOADH-AWEZNQCLSA-N 329.404 1.603 0 40 EDAB COc1cc(C(=O)OCCn2cncn2)sc1Br 95442668 UGQWSJVNGMSZLB-UHFFFAOYSA-N 332.179 1.968 0 40 EDAB CCc1cc(CNC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)on1 95428265 HCAUUZQRTQFOPA-DOMZBBRYSA-N 347.419 1.626 0 40 EDAB CCS(=O)(=O)NCCCN[C@@H]1CSCCc2ccccc21 95421397 GZWRLFFVBNQPHJ-OAHLLOKOSA-N 328.503 1.936 0 40 EDAB Cc1noc(CCCNC(=O)N2CCc3ccccc3[C@@H]2CO)n1 95417135 SXLHNXBJCRQVMC-HNNXBMFYSA-N 330.388 1.612 0 40 EDAB O=C1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CCN1 95449957 XNZOPKCYUQEZMT-SNVBAGLBSA-N 340.786 1.199 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@H]2Cn2cccn2)cc1S(N)(=O)=O 75605472 IMESEUXCFCKEBM-AWEZNQCLSA-N 348.428 1.144 0 40 EDAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NC[C@@H]1CCCC[C@@H]1O 73932560 FWYNGLDGLCMSEZ-OTWHNJEPSA-N 346.471 1.945 0 40 EDAB O=C(NCCCO)Nc1ccc2nc(N3CCOCC3)sc2c1 76082383 LRCAPEDZZHSXBY-UHFFFAOYSA-N 336.417 1.637 0 40 EDAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCCCNC(N)=O 76017376 ISTKJOAJYUKTAK-NSHDSACASA-N 327.812 1.980 0 40 EDAB Cc1ccc(-n2nc(C(=O)Nc3nn(C)cc3C(N)=O)cc2C)cc1 95991435 BNPASBHDQXKCCB-UHFFFAOYSA-N 338.371 1.574 0 40 EDAB Cc1nc2n(c1CN1CCN(C(=O)c3cn[nH]c3)CC1)CCCC2 95988469 FFZSGNBTBATEII-UHFFFAOYSA-N 328.420 1.209 0 40 EDAB CN(C)C(=O)c1ccc(N2CCN(C(=O)c3ccsc3)CC2)nc1 95958797 TZZQHBIAWYDEIW-UHFFFAOYSA-N 344.440 1.807 0 40 EDAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NC[C@H]1CN(C)CCN1C 78925631 MLAMTCXMYAWMHH-HOCLYGCPSA-N 332.448 1.282 0 40 EDAB C[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 78917080 JRCOABZCWKLMGS-QWRGUYRKSA-N 340.374 1.102 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(C(=O)OCC2(C)COC2)cc1 78950838 GRHSUXYZAFSFFE-UHFFFAOYSA-N 341.429 1.814 0 40 EDAB CC(C)c1ocnc1C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 79094082 FEEOQGZSVHJHGO-WDEREUQCSA-N 329.422 1.246 0 40 EDAB Cn1cc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cn1 61720097 VZSHEJNOZGYZSI-UHFFFAOYSA-N 343.774 1.936 0 40 EDAB CS(=O)(=O)N1C[C@@]2(CCN(Cc3ccncc3)C2)c2ncccc21 306131165 JXZDUGXIOVAWGP-KRWDZBQOSA-N 344.440 1.400 0 40 EDAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(C(C)C)C[C@H]32)cc1 306141940 WKXQPDOAYLVKNW-HOTGVXAUSA-N 340.427 1.199 0 40 EDAB Cc1ccc(OCCCNC(=O)CCCN2C(=O)CNC2=O)cc1 79335679 DLVGSZPSGXTWLD-UHFFFAOYSA-N 333.388 1.212 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)N2CC(=O)Nc3cccnc32)c1 78917794 LWIPXMFUFNRAGU-LBPRGKRZSA-N 341.367 1.981 0 40 EDAB O=C(NC[C@@H]1CCC(F)(F)CO1)N1CC[C@H]2[C@@H]1CCCN2CCO 1553245023 ZXCWSONFZGPBMI-IHRRRGAJSA-N 347.406 1.041 0 40 EDAB O=C(c1cc[nH]n1)N1CCn2c(Cc3ccccc3F)nnc2C1 1557365520 LDUMELCEBBPDLK-UHFFFAOYSA-N 326.335 1.387 0 40 EDAB C[C@H](C(=O)NCCn1ccnc1)N1CCN(c2ccc(F)cc2)CC1 78926849 QRTWQEYHCSKWBP-OAHLLOKOSA-N 345.422 1.349 0 40 EDAB Cn1cc(/C=C/C(=O)NCCCNS(C)(=O)=O)c2ccccc21 79462009 PBXOESXMJDBROR-CMDGGOBGSA-N 335.429 1.247 0 40 EDAB C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1nc(C(C)(C)C)no1 565419397 REDIVMKCNQNWTO-ZETCQYMHSA-N 342.377 1.433 0 40 EDAB O=C(NCc1ccco1)NCc1ccccc1CN1CC[C@H](O)C1 180493348 ISROTBQKANFTSS-INIZCTEOSA-N 329.400 1.846 0 40 EDAB CSC[C@@H](C)C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 74064612 SHIGJKJXFWSVBD-SECBINFHSA-N 326.384 1.903 0 40 EDAB CN(C)CCN1C[C@H](C(=O)N2CC=C(c3cccs3)CC2)CC1=O 73797464 ZVPYBMAUQBIXTB-OAHLLOKOSA-N 347.484 1.774 0 40 EDAB CC(=O)N1CC[C@@H](c2nn(CCNCC(C)(C)C)c3nccnc23)C1 72391619 YWCRTTGVKAGXRY-CQSZACIVSA-N 344.463 1.798 0 40 EDAB Cc1cc(C(=O)Nc2c(C)nn(C)c2C)nc(N2CCOCC2)n1 71195473 JHIPNKIZXOJGMF-UHFFFAOYSA-N 330.392 1.224 0 40 EDAB O=S1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 71856505 LPEOTUBHFKCJIW-UHFFFAOYSA-N 327.349 1.549 0 40 EDAB O=S(=O)(CCOc1ccccc1)N1CCN(c2ncccn2)CC1 70637764 STMBCHMVROWHAL-UHFFFAOYSA-N 348.428 1.007 0 40 EDAB CCOC(=O)c1ccc(OC)c(N2C[C@H](C(=O)OCC)CC2=O)c1 45953244 DIFRKVXLKAVKHU-GFCCVEGCSA-N 335.356 1.788 0 40 EDAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccsc1 46214096 POZUKYTUGWACOW-LSDHHAIUSA-N 335.473 1.726 0 40 EDAB CN(C)C(=O)c1cnc(N2C[C@H](CO)OC(C)(C)C2)c(Cl)c1 573553945 HHQHYLRPFQGZGI-LLVKDONJSA-N 327.812 1.413 0 40 EDAB Cc1noc([C@H](C)N(C)C(=O)CNC(=O)c2cc(F)cc(F)c2)n1 570652602 UJDFITSGFYXNKV-QMMMGPOBSA-N 338.314 1.606 0 40 EDAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCOC)ccc21 225686631 QBKGTSLWLVXLMG-UHFFFAOYSA-N 330.431 1.398 0 40 EDAB O=C(c1ccnc(C2CC2)n1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 330263911 XEUCBHMPCDBONN-UHFFFAOYSA-N 338.415 1.917 0 40 EDAB Cn1nc(CNC(=O)[C@H]2COc3ccccc3O2)c2c1CCCC2 96099130 NRUDNLAMKAUFGT-QGZVFWFLSA-N 327.384 1.755 0 40 EDAB COC[C@@H]1CN(S(=O)(=O)Cc2ccccc2)Cc2c1cnn2C 96044552 VGPYZMLKCRQUPI-AWEZNQCLSA-N 335.429 1.496 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)[nH]n1 96245898 IUHXHKNJTUKHMK-HUUCEWRRSA-N 325.372 1.129 0 40 EDAB CN1CCN(CCOc2ccc(NC(=O)c3ccc[nH]3)cc2)CC1 96432174 PPEIVRJSTXCHFA-UHFFFAOYSA-N 328.416 1.893 0 40 EDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3cncc(C)c3)[C@@H]2C1 96109427 OKADUTUITWYQMO-BBWFWOEESA-N 333.432 1.198 0 40 EDAB Cn1cccc1C(=O)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96072945 AIISEGZJWAYOAJ-CXAGYDPISA-N 327.388 1.301 0 40 EDAB Cc1noc(C)c1C[C@H](C)NC(=O)Nc1ccn(CCN(C)C)n1 96435362 ANCQKNCOQXNINF-NSHDSACASA-N 334.424 1.802 0 40 EDAB COc1cn(CC(=O)Nc2nnc(CC(C)C)s2)c(C)cc1=O 95473129 LHRSIONHTQAERX-UHFFFAOYSA-N 336.417 1.854 0 40 EDAB CCc1nc(C(=O)N2CCN(C(=O)Cc3c(C)noc3C)CC2)c[nH]1 96452085 ACYPTQTZWOIPSJ-UHFFFAOYSA-N 345.403 1.104 0 40 EDAB Cn1cc([C@@H](CO)NC(=O)c2cnn(C)c2Cc2ccccc2)cn1 578599885 WDDWDJJLNFDPGE-MRXNPFEDSA-N 339.399 1.208 0 40 EDAB CC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 96263470 LZFKTSMRXRVKGD-UHFFFAOYSA-N 338.429 1.328 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCc1cnn(C)c1 97378835 QTZXZZULMVKTEG-QAPCUYQASA-N 341.459 1.782 0 40 EDAB O=C(c1cocn1)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 96206892 WRVNNFXYHSGXRL-PBHICJAKSA-N 329.356 1.770 0 40 EDAB CC(=O)Nc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](C(=O)O)C2)cc1 581367963 CLNXXRCNZOSYLC-NHYWBVRUSA-N 333.388 1.897 0 40 EDAB Cc1cc(C(=O)N2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)no1 96161423 XNHHVXBOTFZRTL-KDOFPFPSSA-N 325.368 1.729 0 40 EDAB O=C(NCCc1ccncc1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95475675 VGADADKCIJZBLF-AWEZNQCLSA-N 349.394 1.670 0 40 EDAB O=C(NCC1CC1)[C@@H]1CN(Cc2ccccn2)CC12CCOCC2 96052138 FWKFZIIUPXKJFG-KRWDZBQOSA-N 329.444 1.836 0 40 EDAB Cc1nnc(N2C[C@H]3OC[C@@H](CC(=O)N4CCCCO4)[C@H]3C2)s1 96215560 WWAMKAFKONMVQS-JHJVBQTASA-N 338.433 1.242 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1CCOC1 96439421 CFPMQYVGGVMSPG-SJORKVTESA-N 346.475 1.533 0 40 EDAB COc1ccc(-c2nc(CNC(=O)[C@H](C)n3ccnc3)no2)cc1 96407843 LSHGMKHVYJIXPH-NSHDSACASA-N 327.344 1.819 0 40 EDAB C[C@@H](O)CNC(=O)CN1C(=O)c2ccccc2Oc2ncccc21 96118897 UUBLWTQKPCIHJC-LLVKDONJSA-N 327.340 1.331 0 40 EDAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(N)C(=O)O)cc1 242728116 YTWWPAWCLSQKMQ-NUJGCVRESA-N 345.420 1.971 0 40 EDAB C[C@@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)Cn1cccn1 249128279 RLVICPHEUQBWEQ-LSDHHAIUSA-N 337.468 1.006 0 40 EDAB CCCCN(C)c1ccc(C(=O)N2CC(N3CC[C@H](O)C3)C2)cc1 585089810 FMWALEILUKYABG-SFHVURJKSA-N 331.460 1.814 0 40 EDAB Cc1noc([C@@H]2CN(C(=O)Cn3cccn3)C[C@@H]2c2ccccc2)n1 245174462 YNFUEBHRZWFAIO-HZPDHXFCSA-N 337.383 1.984 0 40 EDAB CN(C)c1nc(Cl)c(CNC(=O)CCc2cnn(C)c2)s1 585088032 HOUWUJGGEUZVCQ-UHFFFAOYSA-N 327.841 1.845 0 40 EDAB O=S(=O)(NCCN[C@@H]1CCCC12CCOCC2)c1ccccc1 252496848 PSWOHUAIYUUVGD-MRXNPFEDSA-N 338.473 1.904 0 40 EDAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCCN(CC(N)=O)[C@H]3C[C@@H]21 257320119 VVLKFFJPBHULAP-GZIXRCOHSA-N 346.427 1.959 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](Cc2ccn[nH]2)C1 257339270 ZAZPYTPGISDOPJ-CYBMUJFWSA-N 340.383 1.799 0 40 EDAB COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2cnn(C)c2)cc1 257252418 JUSMDXFBXOXYDD-SFHVURJKSA-N 328.416 1.834 0 40 EDAB COC(=O)c1ccc2c(n1)CCCN2S(=O)(=O)c1ccc(C)o1 585129584 OPTSRAYNXVUJFG-UHFFFAOYSA-N 336.369 1.911 0 40 EDAB CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CCCCCF)C1 585133670 QDGJGNUREHTARK-UHFFFAOYSA-N 343.443 1.938 0 40 EDAB CN(C)C(=O)c1cc(C[C@@H]2CCCN(C(=O)C3CCC3)C2)ncn1 257283930 PAMZDWPQQMVRDU-ZDUSSCGKSA-N 330.432 1.760 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@]2(CO)C(=O)O)cc1 252514447 CMBXNNHKDHTMJE-JZXOWHBKSA-N 346.404 1.998 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)c3cnn4cccnc34)CCO2)n1 257229513 FYJORBZKSSHFEN-AWEZNQCLSA-N 338.371 1.380 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(Cc2cnccn2)C1 257329068 XIGKQBYDKMCURV-GFCCVEGCSA-N 335.433 1.058 0 40 EDAB Cc1cc(C)n(CCCC(=O)N2CCO[C@@H](c3cccc(N)n3)C2)n1 257255462 KHNZZVYDQROZBG-MRXNPFEDSA-N 343.431 1.857 0 40 EDAB c1ccc(COC[C@H]2CN(C[C@H]3CCOC3)Cc3nccn3C2)nc1 253588438 CIPQPPFWMORJAI-SJORKVTESA-N 342.443 1.963 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cn[nH]c2)C[C@@H]1c1ccccc1 257246568 IURZPOFQMMVAPN-OAHLLOKOSA-N 334.401 1.004 0 40 EDAB CCn1cc(CN2Cc3cccn3C[C@H](Oc3ncccn3)C2)cn1 585112119 LPPJJDBTLPCKLC-QGZVFWFLSA-N 338.415 1.958 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)C1(c2ccc(F)cc2)CC1 585279127 UAIXXCUHBYBDQG-QGZVFWFLSA-N 334.391 1.740 0 40 EDAB CCc1ncc(CN2CC[C@@H](OC)[C@H](CC(=O)N3CCCC3)C2)cn1 585276363 IYRTUQMBEXJGCW-IAGOWNOFSA-N 346.475 1.888 0 40 EDAB CN(C)C(=O)C[C@@]1(O)COCCN(Cc2ccc(F)cc2Cl)C1 585280607 LNARZHKWQHVAFX-INIZCTEOSA-N 344.814 1.521 0 40 EDAB COCCN1CC2(CCN(C(=O)C3(F)CCC3)CC2)C[C@H]1COC 585103337 CEVDTPKJSPBXAT-HNNXBMFYSA-N 342.455 1.855 0 40 EDAB CCOCCc1cnc2n1CCN(C(=O)c1cnc(C)cn1)[C@H]2C 585098658 WHXLMNGXQNXOQM-ZDUSSCGKSA-N 329.404 1.778 0 40 EDAB O=C(Cc1ccccn1)N1CC[C@](O)(COc2cccc(F)c2)C1 585277120 LOAXHCCDGQXDTH-GOSISDBHSA-N 330.359 1.806 0 40 EDAB CO[C@@H]1CN(C(=O)CN2CCCC2=O)CC[C@@H]1Cc1cccc(F)c1 585278841 HLMKSCARPRMFPX-NVXWUHKLSA-N 348.418 1.854 0 40 EDAB Cc1cc(CS(=O)(=O)CCC(=O)N2CCc3ccccc32)no1 44938569 UOHFIHWOLBQARS-UHFFFAOYSA-N 334.397 1.877 0 40 EDAB CNC(=O)COc1cccc(CNc2ncnc3c2cnn3C)c1 52486638 UYNAITBBUDUSCC-UHFFFAOYSA-N 326.360 1.100 0 40 EDAB Cc1ccnc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)n1 1776008447 FTOXIBFNCXQOON-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB Cc1cccn2cc(CC(=O)N3C[C@@H](C)OC4(CCOCC4)C3)nc12 547748429 GPXSCSUSIRVTMQ-OAHLLOKOSA-N 343.427 1.982 0 40 EDAB Cn1ncc(Br)c1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1615000868 DZTLIFPRKISDKQ-VXGBXAGGSA-N 335.205 1.537 0 40 EDAB CC(C)C[C@@H](C)OCCC(=O)N1CCC(O)(Cn2ccnn2)CC1 1615614200 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EDAB CCOC(=O)c1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1 48598524 QNYQFBSKERSGGK-UHFFFAOYSA-N 344.371 1.205 0 40 EDAB Cc1csc(=O)n1CC(=O)NC[C@@H](c1cccs1)N(C)C 40480645 VIPBVLFDAKLEAX-NSHDSACASA-N 325.459 1.699 0 40 EDAB O=S(=O)(CCc1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 238835836 GRCHKIYSFQQVKZ-PMPSAXMXSA-N 325.430 1.485 0 40 EDAB CCN1CCC[C@@](O)(CN2CCN(Cc3ccc(F)cc3)CC2)C1 46087444 CGKACQQGVRAWNG-IBGZPJMESA-N 335.467 1.790 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)n1)c1ccc(Cl)cc1 224216378 WDIWAWZABQNDKL-UHFFFAOYSA-N 332.791 1.897 0 40 EDAB CCN(Cc1nc(N)cc(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1 49468830 BSCVCORJSWWTDC-UHFFFAOYSA-N 342.808 1.216 0 40 EDAB COc1ccc(CNC(=O)C(=O)NCCc2ccccc2)cc1OC 223149900 PILDXAZBKQZBLN-UHFFFAOYSA-N 342.395 1.679 0 40 EDAB NC(=O)c1nnn(-c2ccc(F)cc2)c1-c1ccc2c(c1)OCO2 82237889 YCULIKDXXNPMAZ-UHFFFAOYSA-N 326.287 1.901 0 40 EDAB CSCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C)c(F)c1 75157619 FWFKDLLAMPMMRQ-OAHLLOKOSA-N 328.409 1.693 0 40 EDAB O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1C[C@H](O)C1CCCCC1 191357509 CNXPJTVGASXVEK-KBPBESRZSA-N 326.368 1.399 0 40 EDAB O=C([C@H]1NCC12CCCC2)N1CCn2c(cnc2C(F)(F)F)C1 1580487497 WQDYFTUVUZMZFY-LLVKDONJSA-N 328.338 1.776 0 40 EDAB O=C(NCC1CCN(Cc2cccs2)CC1)c1ccc(O)nn1 61569091 QZLAGLMNTJFAFL-UHFFFAOYSA-N 332.429 1.886 0 40 EDAB CC(C)N(C)Cc1nnc2n1CCCN(C(=O)c1cccnc1)C2 96091016 QKHAMLDTWCBIOV-UHFFFAOYSA-N 328.420 1.559 0 40 EDAB c1cnc(N2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)nc1 96202214 JYTCMASHKYFORD-MRXNPFEDSA-N 331.445 1.662 0 40 EDAB OCCn1ncc2c(NCCCN3CCc4ccccc43)ncnc21 97199675 VYZOCOVXJOSWQN-UHFFFAOYSA-N 338.415 1.683 0 40 EDAB CC(C)NC(=O)[C@H]1C[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)O1 96183586 LEFNNLIXZMERPT-GRDNDAEWSA-N 332.400 1.672 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)CO[C@@H](COc1cccnc1)C2 96106114 CZSLPFDNXZAIDV-MRXNPFEDSA-N 333.432 1.420 0 40 EDAB CCn1ncc2c1[C@H](COCC1CC1)CN(S(=O)(=O)N(C)C)C2 96044731 YILBJJMAHPFGDC-AWEZNQCLSA-N 342.465 1.035 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ccnn2C)cc1 583616107 LHJDOTXCBHQSNL-SJLPKXTDSA-N 329.400 1.941 0 40 EDAB Cn1ccnc1[C@@H](NS(=O)(=O)CC1CCCC1)C1CCOCC1 583616340 XUXAICNRWYMYQR-HNNXBMFYSA-N 341.477 1.997 0 40 EDAB CCCS(=O)(=O)CC(=O)NCCCc1nc2ccccc2n1C 96412467 XLANTBUIYIKGOY-UHFFFAOYSA-N 337.445 1.447 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccccc2)Cc2ncn(C)c21 96044871 ITLMBJWHTZQFDQ-MRXNPFEDSA-N 342.443 1.624 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2S(=O)(=O)c2cccs2)N1CC1CC1 96186281 DMHJRPSKESDOKM-STQMWFEESA-N 340.470 1.912 0 40 EDAB CC(C)COC[C@@H]1CN(C(=O)c2ncccn2)Cc2cncn2C1 96216699 PIPWNFDJUNWRRL-CQSZACIVSA-N 329.404 1.618 0 40 EDAB O=C([C@H]1CCOC1)N1CCCn2cnc(COCc3ccco3)c2C1 96259994 OYGBIXFLTASLDH-AWEZNQCLSA-N 345.399 1.962 0 40 EDAB COC(=O)CN1CCC(NC[C@H]2CCN(C)c3ccccc32)CC1 97095392 MYGXDZJNGURKJH-OAHLLOKOSA-N 331.460 1.837 0 40 EDAB CCS(=O)(=O)c1ccc(F)c(C(=O)NC2(C(=O)O)CCCC2)c1 583652243 HYLNALZPEJCHGP-UHFFFAOYSA-N 343.376 1.747 0 40 EDAB Cc1noc(C[C@@H]2COC[C@H]3CN(C(=O)c4cccnc4)C[C@@H]23)n1 96057266 RNAFQHUXGVLRHF-KFWWJZLASA-N 328.372 1.350 0 40 EDAB c1ccc(COC[C@H]2CN([C@@H]3CCOC3)Cc3ccnn3C2)nc1 253588592 JJANFKZRZLXKJJ-MAUKXSAKSA-N 328.416 1.716 0 40 EDAB Cc1nc(CN2CCC[C@](C)(c3[nH]ncc3S(C)(=O)=O)C2)no1 257327850 XDAFIRUTWDYSBK-AWEZNQCLSA-N 339.421 1.058 0 40 EDAB CC[C@@H]1[C@@H](C(=O)NCc2cccc(C(=O)NC3CC3)c2)CCN1C 585089359 HCHONKFXOCPGFT-DLBZAZTESA-N 329.444 1.925 0 40 EDAB COCC1(CS(=O)(=O)N[C@@H](C)Cc2c(C)noc2C)CCC1 585090505 WWBDVEDAVXMHLN-NSHDSACASA-N 330.450 1.959 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@H]1CCc1cnccn1 257304421 SLOKQGGLBDQZQR-MRXNPFEDSA-N 343.431 1.230 0 40 EDAB O=C(/C=C/c1ccco1)NCCn1nnc2ccc(F)cc2c1=O 253474981 MNLDCGWONLGKAZ-GQCTYLIASA-N 328.303 1.353 0 40 EDAB CCCc1nnsc1C(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257255925 KJKREIIRSOAAOO-STQMWFEESA-N 335.433 1.525 0 40 EDAB CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)cc1 250934802 FQQFLOUKXQBKCR-HUBLWGQQSA-N 340.420 1.897 0 40 EDAB CNC(=O)CN1CCC[C@H](c2nccnc2Nc2ncc(C)s2)C1 257283431 OYHMLKXKJWKKDA-LBPRGKRZSA-N 346.460 1.911 0 40 EDAB CN(C)c1ccccc1N(C)S(=O)(=O)CCCN1CCOCC1 274228545 PZKLLWXLBDLEPG-UHFFFAOYSA-N 341.477 1.241 0 40 EDAB CCC(=O)Nc1ccc(NC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)cc1 284473541 BIJUKFNWRVJEES-KGLIPLIRSA-N 348.447 1.954 0 40 EDAB O=C(O)CSCC(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 595245928 UNGSFOGRDMWLJA-MRVPVSSYSA-N 349.334 1.977 0 40 EDAB CN(C)c1ncccc1CNC(=O)NC[C@H](c1ccco1)N(C)C 47792175 XLPCDRXGWUACAN-CQSZACIVSA-N 331.420 1.843 0 40 EDAB Cn1nnnc1-c1cccc(NCc2cc(=O)n3ccsc3n2)c1 58174795 WCIGYFGGXVCPHP-UHFFFAOYSA-N 339.384 1.559 0 40 EDAB CCN1C[C@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1=O 67361424 DEHMSOXCFCRHSP-QZTJIDSGSA-N 343.471 1.883 0 40 EDAB CC(C)C(=O)N(C)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1565522078 IEJQPQLAAWFRCE-UHFFFAOYSA-N 328.420 1.695 0 40 EDAB O=C([C@H]1CCCc2nc[nH]c21)N1CCCN(c2cccnn2)CC1 548419697 IQIDHVDESRHGDE-ZDUSSCGKSA-N 326.404 1.359 0 40 EDAB O=C(c1nc2ccccc2s1)N1CCC(N2C(=O)CNC2=O)CC1 585332111 HHYHPHPLENMLIZ-UHFFFAOYSA-N 344.396 1.453 0 40 EDAB COC1(C(=O)NC2CCN(c3cc(C)ccc3F)CC2)CCNCC1 1615581284 AAILNPPTNYKNAI-UHFFFAOYSA-N 349.450 1.988 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)Nc1ccc(N(C)C)cn1 1615615856 SPBBPNCNYGPWLJ-GOSISDBHSA-N 326.400 1.895 0 40 EDAB CC[C@@H]1CN(C(=O)Nc2ccccc2)[C@H](CO)[C@@H]1CN1CCOCC1 1772594643 BSEVDVKBNJDXDO-KBAYOESNSA-N 347.459 1.870 0 40 EDAB COC(=O)c1ccccc1NC(=O)Cn1nc2n(c1=O)CCCCC2 12997094 RKIXIEPNIZGVJL-UHFFFAOYSA-N 344.371 1.197 0 40 EDAB CC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1 16610250 JRKVLVVMOGSANG-LBPRGKRZSA-N 328.434 1.621 0 40 EDAB Cc1ccc(CNc2nc(CCCN3CCOCC3)cc(=O)[nH]2)cc1 19210433 NMAVLIBBNLFOQP-UHFFFAOYSA-N 342.443 1.955 0 40 EDAB Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)Cc2cncn2C)n1 19573795 YQVIFWWQELDTPM-QGZVFWFLSA-N 343.431 1.890 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c2cccnc2O1 158656587 XXQVVXFFFKFJTA-OLZOCXBDSA-N 341.367 1.837 0 40 EDAB Cn1nc(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)ccc1=O 220726216 HTHLYAOYZPZCNO-LLVKDONJSA-N 343.387 1.136 0 40 EDAB Cc1ccc(O[C@H]2CCN(C(=O)c3noc4c3CCCC4)C2)nn1 225427795 PQMYQRLKHCFIQF-LBPRGKRZSA-N 328.372 1.945 0 40 EDAB CCN1CCN(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 22942286 CNOCMXOXQHUOGZ-AWEZNQCLSA-N 333.432 1.273 0 40 EDAB CCc1ncnc(N2C[C@H]3CN(c4nccc(OC)n4)C[C@H]3C2)c1F 1888843052 MNYBERRXPTWVDG-TXEJJXNPSA-N 344.394 1.549 0 40 EDAB CS(=O)(=O)c1cccc2sc(=NC3CCC(O)CC3)[nH]c12 1889096847 SIOVBRUWSIRYHH-UHFFFAOYSA-N 326.443 1.837 0 40 EDAB O=C(NC1CC1)[C@H]1CN(Cc2cccc(Br)c2)CCO1 1889098112 QDGJROKCMVURGU-CQSZACIVSA-N 339.233 1.929 0 40 EDAB Cc1nnc2c(N3CC[C@@H](COc4ccc(F)cn4)C3)nccn12 1889139293 UHXQFEKONBMLHZ-GFCCVEGCSA-N 328.351 1.872 0 40 EDAB O=C(NCCCN1CCOCC1)C1=NN(c2ccccc2)C(=O)CC1 19358040 OJVQBBJJZJZVBZ-UHFFFAOYSA-N 344.415 1.008 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccco2)C1 33117962 AORLKNBXCRLZTI-GOEBONIOSA-N 340.379 1.748 0 40 EDAB COCCN1C(=O)CC[C@H]1c1nc(CNC(=O)c2ccccc2)no1 1775963780 CDFXQYXYCJYJAU-ZDUSSCGKSA-N 344.371 1.310 0 40 EDAB biogenic,in-vitro COc1cc(C(=O)N2CCc3ncnc(-c4ccoc4)c3CC2)on1 1565553558 DDMKDSXQIICXAM-UHFFFAOYSA-N 340.339 1.974 0 40 EDAB COc1ccc(C(=O)N2C[C@@H]3OCCN(C(C)C)[C@H]3C2)c(OC)c1 1565551646 PYSFWGFEGRXEAQ-RDJZCZTQSA-N 334.416 1.637 0 40 EDAB CCc1ccc(C(=O)N2CC[C@H]3OCCN(CCOC)[C@@H]3CC2)cn1 2055745785 AFJHKPYGSDUBNL-QZTJIDSGSA-N 347.459 1.596 0 40 EDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2cc(C)on2)C1 2055750713 RWWHESHZHPTYOR-KRWDZBQOSA-N 332.379 1.925 0 40 EDAB CCn1cc(CN2CCC[C@@](C(=O)N(C)C)(n3cccn3)C2)cn1 2055771488 BUYYZJFXBWGEST-QGZVFWFLSA-N 330.436 1.179 0 40 EDAB O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc(=O)[nH]c1 38679586 RZLRHTVXSSKERH-GHMZBOCLSA-N 335.385 1.111 0 40 EDAB CCOc1cccc(CNC(=O)c2c(O)c3cccnc3[nH]c2=O)c1 49411694 FWNCYRCLNVAFDF-UHFFFAOYSA-N 339.351 1.957 0 40 EDAB COc1nc(CNC(=O)c2ccc(-n3cccc3)cc2)nc(OC)n1 575607919 QYBRNBSUELBUEW-UHFFFAOYSA-N 339.355 1.610 0 40 EDAB Cc1cc(NC(=O)C(=O)NCC[C@H](CCO)c2cccs2)no1 575605715 DBCSLEUXGSCOEB-LLVKDONJSA-N 337.401 1.656 0 40 EDAB C=CC(=O)N1CCC[C@@H]1c1cc(Nc2nnc(C)s2)nc(C)n1 585292638 PZEZYHSMSLSLIV-GFCCVEGCSA-N 330.417 2.538 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)C(C)(C)c1ccccc1F 69326582 QAHGPUSNNRYXOE-UHFFFAOYSA-N 344.452 1.891 0 40 EDAB Cc1cc(CN2CCN(CC(=O)Nc3ccc(Cl)cn3)CC2)on1 40476527 RBKFAIFKDCLNNT-UHFFFAOYSA-N 349.822 1.788 0 40 EDAB Cc1nc2ncnn2c(O)c1CCC(=O)N[C@@H](C)c1ccccc1 36579901 CFPVMONSYYVABT-NSHDSACASA-N 325.372 1.948 0 40 EDAB COc1cc2c(c3oc(=O)cc(CCC(=O)O)c13)[C@H]1CC(=O)O[C@@H]1O2 1592477 SOGRHNDZGHUMHI-RBHXEPJQSA-N 346.291 1.568 0 40 EDAB COc1cc(C2(C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)ccc1C 69368003 SSLQHHVSBXLPEM-CYBMUJFWSA-N 337.441 1.586 0 40 EDAB COc1cccc(NC(=O)COc2ccc(-n3cnnn3)cc2)c1 2646000 WSFODNYSRGNMRM-UHFFFAOYSA-N 325.328 1.688 0 40 EDAB CCCOc1ccc(S(=O)(=O)N2CCCN(C(C)=O)CC2)cc1 40512084 HVAWCEDAJMRFNT-UHFFFAOYSA-N 340.445 1.718 0 40 EDAB CCn1cnnc1CNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 40536149 KOYWSYBXOOXQIL-STQMWFEESA-N 344.419 1.237 0 40 EDAB CC(C)Oc1cccc([C@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)c1 40529513 JHRKJAWVUIXODV-ZDUSSCGKSA-N 345.399 1.212 0 40 EDAB CN(C)c1nc(N)nc(CCNC(=O)[C@@H]2CCCc3ccccc32)n1 40512225 RKTOXRVLBPWLEE-CQSZACIVSA-N 340.431 1.299 0 40 EDAB CC[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)C1 40520160 USPDEUUYYWRCDB-CQSZACIVSA-N 339.461 1.729 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 3904564 VUGBKCBFJIMAPO-CJXOWJITSA-N 328.368 1.665 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](COC[C@@H]5CO5)(O4)[C@@H]3C2=O)cc1 3982491 XFUHVCZVGQJFMO-MZZPOWALSA-N 341.363 1.223 0 40 EDAB CCOC(=O)[C@H]1C(=O)O[C@]2(CCOC(C)(C)C2)[C@H]1C(=O)OCC 4111170 WJYLFABUDRLBIA-USBNGQNGSA-N 328.361 1.230 0 40 EDAB Cn1cc(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)cn1 69369458 FKZGUGZBCCCTIO-LLVKDONJSA-N 337.177 1.139 0 40 EDAB NC(=O)CN1CC[C@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 96496465 ZHJCGDHJAAYLDM-NEPJUHHUSA-N 347.312 1.147 0 40 EDAB CCn1ncnc1CN(CCCn1ccnc1)Cc1ccncc1 55152950 LLVNZYUZTBBMIS-UHFFFAOYSA-N 325.420 1.982 0 40 EDAB COc1ccc([C@@H]2c3c(C)nnc(O)c3Nc3nnnn32)cc1OC 10298514 RMYDFTFIJXIDPG-CYBMUJFWSA-N 341.331 1.189 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nnc(C2CC2)s1 102285476 HPFYDTOQVUONTF-UWVGGRQHSA-N 332.385 1.305 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)CCOc2ccc(Br)cc2)C1 41132636 AHSILXSVMPKGGN-SNVBAGLBSA-N 341.205 1.552 0 40 EDAB Cc1cccc(OCC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1C 29190092 ZSELZCQITDVVPN-CQSZACIVSA-N 340.445 1.222 0 40 EDAB COc1cc2c(cc1OC)CN(Cc1nc(N)nc(N(C)C)n1)CC2 32850930 FHGRNEZWHKBKRZ-UHFFFAOYSA-N 344.419 1.095 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)Cn1nc3ccccn3c1=O)C2 102447187 OQGPJIYIMWMTFQ-JCGVRSQUSA-N 328.416 1.827 0 40 EDAB COc1cccc(CNC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102415754 HNMVWJALGGMJOF-VBNZEHGJSA-N 344.411 1.875 0 40 EDAB Cc1cc(S(=O)(=O)N(C)[C@@H]2CCNC2)ccc1Br 71310293 UUZSSLZRFQBKAX-SNVBAGLBSA-N 333.251 1.740 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)NCCCOC[C@H]2CCCO2)c1 21699805 GKLFPOFJEPAQHD-OAHLLOKOSA-N 341.429 1.753 0 40 EDAB NC(=O)[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1 11683405 DOGYDJDXACVVGD-CQSZACIVSA-N 341.302 1.185 0 40 EDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)NC1CCCCC1 32936520 QYKFEDYPJSKQEV-UHFFFAOYSA-N 339.461 1.738 0 40 EDAB CC[C@](C)(NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)C(=O)OC 102832115 JHBBHUYIVLMSGT-INIZCTEOSA-N 349.412 1.294 0 40 EDAB COC(=O)C(C)(C)NC(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1 60347467 VVWAUDXYCDPQDU-CQSZACIVSA-N 331.372 1.278 0 40 EDAB Cc1ccc([C@H]2[C@H](C(=O)N3CCN(C)CC3)CCC(=O)N2C)cc1 57355956 RYAUZZGYKSNYDX-AEFFLSMTSA-N 329.444 1.679 0 40 EDAB O=C(CN1CCOCC1)N1CCN(c2nc3ccccc3s2)CC1 22137697 BFIZSLMKSKSIDH-UHFFFAOYSA-N 346.456 1.277 0 40 EDAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2nccnc2N)c1 22383152 XELDYVJMPIWKIW-UHFFFAOYSA-N 349.416 1.390 0 40 EDAB Cc1cc(C)n(CC(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)n1 42002369 XQPHULQFLIYZDO-MRXNPFEDSA-N 346.431 1.591 0 40 EDAB O=C(NCCNC(=O)c1nc2ccccc2s1)c1ccncc1 22500874 UIRVDCQUTQXKAC-UHFFFAOYSA-N 326.381 1.851 0 40 EDAB Cc1ccc(CN2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)o1 108526109 UUADHUHXSDFCBS-AWEZNQCLSA-N 342.461 1.651 0 40 EDAB COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NCCNC(C)=O 43140849 CCULHHMJNTYDGT-INIZCTEOSA-N 349.431 1.522 0 40 EDAB Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(F)cc2)cc1 107774683 JDYPZQMDHVPAKQ-UHFFFAOYSA-N 329.331 1.828 0 40 EDAB Cc1[nH]c2ccccc2c1CC(=O)N1CCC2(CC1)NC(=O)NC2=O 24865515 KCGYGENLIFQUER-UHFFFAOYSA-N 340.383 1.219 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1 106512272 JBZNUNZYCOGCPA-LJISPDSOSA-N 328.478 1.601 0 40 EDAB O=C1COc2cc(C(=O)NC[C@H]3COc4ccccc4O3)ccc2N1 25173578 XWZSTEYVOXXFOZ-LBPRGKRZSA-N 340.335 1.587 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1 34871894 GVRIZFNFIHJRAQ-UHFFFAOYSA-N 340.387 1.334 0 40 EDAB CNC(=O)NC(=O)CNc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 55894926 QFBYNWBWZMXMRN-UHFFFAOYSA-N 348.403 1.326 0 40 EDAB C[C@]1(c2ccccc2)NC(=O)N(C[C@@H](O)COCc2ccco2)C1=O 25866563 ISQOLKQNSAQLJU-RDTXWAMCSA-N 344.367 1.624 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N1CCO[C@H](C)C1 25816231 JOKMNJVUBXUOKH-CABCVRRESA-N 343.431 1.507 0 40 EDAB COc1nccnc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 108356275 BHJSKUXAEAXLOB-CVEARBPZSA-N 326.400 1.575 0 40 EDAB CN(C(=O)C1CCN(S(=O)(=O)N(C)C)CC1)C1CCCCC1 22533068 LXMYYTFQFFZCLB-UHFFFAOYSA-N 331.482 1.296 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCc2ccc(F)cc2)on1 44643039 VZMKJEHDODLBCJ-NSHDSACASA-N 340.376 1.742 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCc2ccccc2C)on1 44643211 NPJNFWLNCDVNGR-ZDUSSCGKSA-N 336.413 1.911 0 40 EDAB Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H]1CCS(=O)(=O)C1 44722517 RPIINHXKKRHWCG-LLVKDONJSA-N 336.388 1.847 0 40 EDAB Cc1nccc(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)n1 69486643 HOTZANXIOPRCCL-UHFFFAOYSA-N 348.472 1.649 0 40 EDAB CCCOc1ccccc1C(=O)Nc1nnc(S(C)(=O)=O)s1 27663689 MMJYTZVNUFBLKS-UHFFFAOYSA-N 341.414 1.983 0 40 EDAB COc1ccc(N(C)C(=O)C2CCN(C(=O)N3CCCC3)CC2)cn1 58270084 SXQGOWKIDXASMJ-UHFFFAOYSA-N 346.431 1.981 0 40 EDAB O=C(CN1CCN(c2ccnc3c(F)ccc(F)c23)CC1)NC1CC1 58312784 BHNDEGNWSYCWKS-UHFFFAOYSA-N 346.381 1.914 0 40 EDAB C[C@@H](NC(=O)NCc1ccncc1)c1ccc(S(N)(=O)=O)cc1 58404629 MQVOBZBDPFGJEL-LLVKDONJSA-N 334.401 1.289 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNCCS(=O)(=O)Cc1ccccc1)CN2 69453229 AVXIXAYPEAOYKW-INIZCTEOSA-N 348.472 1.438 0 40 EDAB Cn1ccnc1COc1ccc(CN[C@H]2CCCCNC2=O)cc1 48310675 GTCVNPLVJRWDKK-INIZCTEOSA-N 328.416 1.757 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1C 48300846 NKZMCGSQOFHTRQ-ZYHUDNBSSA-N 340.449 1.161 0 40 EDAB O=C(Nc1nc2ncccn2n1)C1CCN(C(=O)c2ccco2)CC1 48310147 FBMQNUGLOSGHRD-UHFFFAOYSA-N 340.343 1.208 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CN2CCc3cncnc3C2)c1 69571182 WZTZRVCHPOFRSU-UHFFFAOYSA-N 325.351 1.458 0 40 EDAB O=C(NCCOc1ccccc1)c1ccc(-c2noc(=O)[nH]2)cc1 69629449 RHXPDCGLBUNTEB-UHFFFAOYSA-N 325.324 1.839 0 40 EDAB CCNC(=O)CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 69648524 PWPFMGICSLQGPU-UHFFFAOYSA-N 338.770 1.839 0 40 EDAB Cc1cn2nc(N3CCN(C[C@@H](O)c4ccccc4)CC3)sc2n1 69628144 LGXTWXYSDXBDDL-OAHLLOKOSA-N 343.456 1.955 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)NCc1cnc(N(C)C)n1C 69699103 LYHXBYKOISLKKX-UHFFFAOYSA-N 342.852 1.926 0 40 EDAB CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 69849179 VWOHPIGWXGKBPR-ZYHUDNBSSA-N 348.838 1.821 0 40 EDAB O[C@H](COCc1cccs1)CN1CCC[C@H](Cn2cncn2)C1 69842538 IEJIQRJQONYNFE-GJZGRUSLSA-N 336.461 1.629 0 40 EDAB O=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)NCCc1ccc(F)cc1 69892887 HCSXLHYLCZYXFQ-ZFWWWQNUSA-N 348.340 1.872 0 40 EDAB O=C(NCC[C@H]1CCCO1)[C@@H]1CCCN1C(=O)OCC(F)(F)F 65494506 HTIWYAUYWDHGFR-MNOVXSKESA-N 338.326 1.835 0 40 EDAB C[C@H](c1nnc(SCC(=O)O)n1-c1cccnc1)n1cccn1 65497819 BGIINNLHPLDESW-SNVBAGLBSA-N 330.373 1.645 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1Oc3ccccc3O[C@H]1C)C2 65478037 IZIMACOCVBLNSX-DCGLDWPTSA-N 327.384 1.851 0 40 EDAB O=C(CCCNC(=O)C1CC1)Nc1nc(-c2ccccc2F)n[nH]1 65565027 SAUAZUHHVHXREH-UHFFFAOYSA-N 331.351 1.856 0 40 EDAB COc1cc(CNC(=O)NCc2cccs2)ccc1OCC(N)=O 65514612 NETMYGVGJKZUNZ-UHFFFAOYSA-N 349.412 1.620 0 40 EDAB CC1CCN(C[C@@H](O)CN2CCN(C(=O)C3CCCC3)CC2)CC1 65510409 FZQVGGONSVIRKF-GOSISDBHSA-N 337.508 1.414 0 40 EDAB O=C(CCSc1nnnn1C1CC1)Nc1ccc2c(c1)OCCO2 14183115 UINGRYMPNUVERZ-UHFFFAOYSA-N 347.400 1.900 0 40 EDAB COCCCNCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 14185212 CWMSPSMJBHVXAV-UHFFFAOYSA-N 325.434 1.290 0 40 EDAB CCN(Cc1cccc(F)c1)C(=O)CN1CCO[C@H](CN(C)C)C1 69951538 YLQBVUDSJAMRHQ-QGZVFWFLSA-N 337.439 1.437 0 40 EDAB O=C(CNS(=O)(=O)Cc1ccc(F)cc1F)NCc1ccco1 96001937 OJFJGBDEQNAQGM-UHFFFAOYSA-N 344.339 1.294 0 40 EDAB O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)N1CC[C@@H](O)C1 96009324 OFUFVEJPZYZJRI-SECBINFHSA-N 341.293 1.885 0 40 EDAB CCc1nn(C)cc1CNC(=O)N1CCC(CC(=O)N(C)C)CC1 96004653 OXVOYTJYOJXCME-UHFFFAOYSA-N 335.452 1.382 0 40 EDAB CC(=O)Nc1ccc(C(=O)COC(=O)c2cnc(C)cn2)c(F)c1 7128908 XNCCAOOLKGPEQW-UHFFFAOYSA-N 331.303 1.922 0 40 EDAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)N3CCCCCC3)nn12 15853995 ZVSWCKQGJMZWES-LBPRGKRZSA-N 331.376 1.381 0 40 EDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccoc1C 7550748 WOIDLSCESGYSCD-OAHLLOKOSA-N 345.351 1.645 0 40 EDAB COC(=O)[C@@H](CCSC)NC(=O)NCc1cccc(OC)c1 15996321 VPAVQPCYVPHEFW-CYBMUJFWSA-N 326.418 1.789 0 40 EDAB CCn1cnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 7868689 VUBLMAXPKLYUNK-UHFFFAOYSA-N 345.428 1.921 0 40 EDAB COc1ccc(CNC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 9112585 VEWLJKYOFVCJTI-UHFFFAOYSA-N 340.387 1.191 0 40 EDAB CNS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 8087885 JIHUIQYEALTUDL-UHFFFAOYSA-N 334.353 1.576 0 40 EDAB CC(=O)NCC(=O)N(C)C1(C(=O)Nc2ccccc2C)CCCC1 9434892 GHAACQHQZFASRM-UHFFFAOYSA-N 331.416 1.841 0 40 EDAB CCc1nnc(CN2CCN(C[C@@H](O)c3cccc(F)c3)CC2)n1C 71864070 DUVGFZNQGUZUOU-MRXNPFEDSA-N 347.438 1.368 0 40 EDAB CC[C@@H](C)C(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 71893194 XOSDESBIPUWRAA-OAHLLOKOSA-N 347.459 1.615 0 40 EDAB O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccc(-c2nnn[nH]2)cc1 71889207 BDZKGAQJCZYRMB-UHFFFAOYSA-N 349.354 1.863 0 40 EDAB O=C(c1cnc2sc(Cc3ccccc3)cn2c1=O)N1CC(O)C1 89840343 FFQRLNWLKSKWCA-UHFFFAOYSA-N 341.392 1.164 0 40 EDAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCc1nc[nH]n1 84044566 YJLFXEMKBWJHKP-UHFFFAOYSA-N 330.779 1.925 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)N2CCN(C(C)=O)C[C@@H]2C)c1 84186062 QASOHCLCEUMIGQ-LBPRGKRZSA-N 333.388 1.866 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC(O)(C(F)(F)F)CC1)N1CCCC1=O 89951210 CCIXEARSKPVSNI-LBPRGKRZSA-N 336.354 1.549 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1 72285371 UIHJCDOJLBCEDV-GFCCVEGCSA-N 342.226 1.489 0 40 EDAB COCCN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C[C@H]1C 72253918 UBBDTKINKFECHG-YLJYHZDGSA-N 347.503 1.058 0 40 EDAB CN(C)CCNC(=O)Cn1ccc(NC(=O)/C=C/c2cccs2)n1 72291524 YQSLSDFGXSEIRR-AATRIKPKSA-N 347.444 1.274 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1C[C@H](O)c1ccc2c(c1)OCO2 72268576 UQGTTXCERDQHPC-ZACQAIPSSA-N 346.427 1.924 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)C[S@](=O)c1ccc(F)cc1F 72271675 KNAKSCVHEVCCQB-JOCHJYFZSA-N 327.356 1.465 0 40 EDAB CN1CCO[C@@H](CNCc2cccc(C(=O)NCc3ccco3)c2)C1 72267863 FIXDYPUPJZJRNR-SFHVURJKSA-N 343.427 1.630 0 40 EDAB O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc2c(c1)CCCC2 97013352 TYUAYHPUVBDOBU-HNNXBMFYSA-N 332.429 1.970 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)CCc3c(C)noc3Cl)CCO2)n1 76046679 CFOHRSIZNYPPEW-NSHDSACASA-N 339.783 1.596 0 40 EDAB CC(=O)N1CCN([C@H]2CN(Cc3nnsc3Cl)C[C@H]2C)CC1 76055852 KPBMBPTXHZJRJC-MFKMUULPSA-N 343.884 1.176 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@H](C(=O)NC3CC3)c3ccccc3)CCO2)n1 76048445 DFYAITDINWDKHC-HOTGVXAUSA-N 341.415 1.506 0 40 EDAB CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@@H](C)CO)cc1 97204359 NILQHIZKZXSCTE-LBPRGKRZSA-N 334.445 1.980 0 40 EDAB O=C(CNCC(F)(F)F)NCc1cnn(Cc2ccccc2)c1 78808617 IFHOSGNGMGJLDK-UHFFFAOYSA-N 326.322 1.700 0 40 EDAB C[C@@H](CNC(=O)C(F)(F)c1ccccc1)CN1CCN(C)CC1 95397200 PUHYNMYUGUDLBK-AWEZNQCLSA-N 325.403 1.778 0 40 EDAB COC(=O)c1ccccc1NNC(=O)c1nc2nc(C)cc(C)n2n1 95465463 VQUOIABVZPTJKF-UHFFFAOYSA-N 340.343 1.285 0 40 EDAB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3ccccn3)ccc21 21108891 LHEXNXXQBMFODE-UHFFFAOYSA-N 345.424 1.814 0 40 EDAB C[C@@H](OCC1CC1)C(=O)N(C[C@@H]1CN(C)CCO1)c1nccs1 95402144 HVEPWKCSINFKKU-OCCSQVGLSA-N 339.461 1.622 0 40 EDAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCC[C@H](C)O)C1 84792491 APQCETHPGVIWAJ-WFASDCNBSA-N 333.388 1.072 0 40 EDAB CCn1c(=O)[nH]c2cc(C(=O)O[C@@H]3CCC[C@H]3OC)ccc2c1=O 78985800 CYAYJEIKHIZENI-ZIAGYGMSSA-N 332.356 1.434 0 40 EDAB CN1CCN(c2ccccc2CNC(=O)NC[C@H]2CCC[C@H]2O)CC1 74089462 AODCEAZJQGYSMQ-SJLPKXTDSA-N 346.475 1.399 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(c2ccc3nnc(C4CC4)n3n2)C1 95955883 VNKWTFVUKVJICV-AWEZNQCLSA-N 340.431 1.744 0 40 EDAB CC[C@H](C(=O)/N=c1\[nH]nc(Cc2cccc(F)c2)[nH]1)N1CCCC1=O 95992895 ADEGAVLORMFJGV-CYBMUJFWSA-N 345.378 1.296 0 40 EDAB CCOc1cc2c(cc1NC(=O)CCN1C(=O)CCC1=O)O[C@@H](C)C2 21837612 PQCIYRTUBWRETP-NSHDSACASA-N 346.383 1.886 0 40 EDAB CS(=O)(=O)CC1(CC(=O)N2CCc3ccccc3[C@@H]2CO)CC1 548134569 CAXGMQUCTLISIO-HNNXBMFYSA-N 337.441 1.320 0 40 EDAB Cn1cc([C@@]2(CNC(=O)C3(O)Cc4ccccc4C3)CCCO2)cn1 1551104549 HTTNDEIBSZCEHA-IBGZPJMESA-N 341.411 1.072 0 40 EDAB CC[C@@](C)(c1nnnn1-c1ccc(OC)c(OC)c1)N1CCOCC1 35622276 DFFZFRNDJXPKCI-KRWDZBQOSA-N 347.419 1.637 0 40 EDAB CC(C)c1nnc(CN2C(=O)N[C@@](C)(c3cnn(C)c3)C2=O)s1 530106284 NOVRMLGXGNCFAV-AWEZNQCLSA-N 334.405 1.362 0 40 EDAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1-n1cnnn1 35312998 JBUPUPLKHQULGH-UHFFFAOYSA-N 341.396 1.722 0 40 EDAB CC1CCN(C[C@@H](O)Cn2ccnc2C(=O)c2cccnc2)CC1 186764677 PAEKJDVJZOFCKQ-MRXNPFEDSA-N 328.416 1.602 0 40 EDAB O=C(NC1CC1)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35314566 QMNJIPOHJIRQRA-UHFFFAOYSA-N 326.404 1.108 0 40 EDAB C[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1nccs1 73451217 TXAAOYOEHVJGIZ-AWEZNQCLSA-N 345.472 1.928 0 40 EDAB COc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)CN)C2)n1 72363205 RCTLZSHCEFVSTF-ZDUSSCGKSA-N 342.399 1.942 0 40 EDAB CN(C)c1cc(C(=O)NCC(=O)N2CCCc3ccccc32)ccn1 79075696 BWFSGPMOUBVOKW-UHFFFAOYSA-N 338.411 1.857 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H](N[C@H](C(N)=O)c2ccc(F)cc2)C1 78923934 HGMIXWGCQZYMET-KGLIPLIRSA-N 337.395 1.951 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)CN 218204762 LMFHWQNFCAIFMR-SRVKXCTJSA-N 333.251 1.006 0 40 EDAB Cc1cc2c(N3CCN(C(=O)[C@H]4CCCO4)CC3)ncnc2s1 31849803 BOFYAFKYFCCMAA-CYBMUJFWSA-N 332.429 1.827 0 40 EDAB COc1cccc(CCC(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)c1 225788468 UOLMCNUKLOBLLX-OAHLLOKOSA-N 341.411 1.395 0 40 EDAB COC(=O)c1cc(S(=O)(=O)NCCCOC(C)C)ccc1C 224595672 RUIVHZGAZRJTHH-UHFFFAOYSA-N 329.418 1.875 0 40 EDAB COc1cccc(N(C)C(=O)C2CCN(S(C)(=O)=O)CC2)c1 226076024 SWYXSUBNHASKMR-UHFFFAOYSA-N 326.418 1.330 0 40 EDAB CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)c1 575012158 OXDICRSQYRLVJL-GFCCVEGCSA-N 347.820 1.938 0 40 EDAB O=C1c2cnc(N3CCCCCC3)nc2CN1CCN1CCOCC1 46087101 FUXWNSXVKSKRLG-UHFFFAOYSA-N 345.447 1.145 0 40 EDAB Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1 75162991 PVDGXWNFWTVVTP-UHFFFAOYSA-N 343.412 1.537 0 40 EDAB COc1cc(N2CCCC2)nc(NC(=S)NCc2cccnc2)n1 225939041 SYKWHXCOVUOLGM-UHFFFAOYSA-N 344.444 1.967 0 40 EDAB Cn1cc(Br)cc(NS(=O)(=O)c2ccccc2)c1=O 80943203 OGAZOZIFLMAMDA-UHFFFAOYSA-N 343.202 1.949 0 40 EDAB CO[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)s1 225707183 GBCWKEYBIUNTEK-VIFPVBQESA-N 335.838 1.801 0 40 EDAB Cn1cc(CN2CCO[C@]3(CCCN(c4cccnc4)C3)C2)cn1 96226326 KMOGUTRQYKQEQM-GOSISDBHSA-N 327.432 1.687 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCCCn2cccn2)cn1 96041841 CZGWWEXCIWOFAX-RCCFBDPRSA-N 345.447 1.455 0 40 EDAB CCOC[C@@H]1CN(C(=O)COc2ccccc2)Cc2cn(C)nc21 96197995 CMVLZSNECYEJJC-HNNXBMFYSA-N 329.400 1.961 0 40 EDAB O=C(c1ccncn1)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 96039911 GNNDWXSOYCFBRM-WMZOPIPTSA-N 331.416 1.915 0 40 EDAB O=C(O)[C@]12CCCN(C[C@@H]3CCOC3)C[C@H]1CN(Cc1ccoc1)C2 96064266 UZJUJVVEGVRADN-IEZWGBDMSA-N 348.443 1.915 0 40 EDAB O=S1(=O)C[C@@H](NCCOc2ccccc2F)[C@@H](N2CCCC2)C1 96407667 DNINRZBROCGAMH-CABCVRRESA-N 342.436 1.056 0 40 EDAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@@H]12)N1CCCO1 96208408 WKBKYPRAXVJKIN-ZACQAIPSSA-N 331.416 1.473 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1cc(Cl)c3c(c1)OCCO3)CC2 97198990 XOFJYYPIJGRUJX-NSHDSACASA-N 348.790 1.756 0 40 EDAB COCCN1C(=O)C[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C)cc1 96063841 PGYOAUGAPSPYFY-CABCVRRESA-N 338.429 1.005 0 40 EDAB O=C(NCC1CCOCC1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95475754 HNHKGQHEQPMMEL-ZDUSSCGKSA-N 342.399 1.459 0 40 EDAB CN(C)CCN(CC1CCCCC1)C(=O)c1cnc2c(c1)nnn2C 97374564 CZGGHBFPZZYNQO-UHFFFAOYSA-N 344.463 1.947 0 40 EDAB CCN(CC)S(=O)(=O)CCNc1ccc(Br)cn1 96417298 BQGBHSXQEBIUAV-UHFFFAOYSA-N 336.255 1.928 0 40 EDAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1ccccn1)C2 96039765 IFWKTTDIVZIONC-IEBWSBKVSA-N 347.459 1.558 0 40 EDAB CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)c2n[nH]c3c2CCCC3)C1 583619070 QEXQCRMCSNZGKW-MFKMUULPSA-N 330.392 1.019 0 40 EDAB O=C(c1ccn(C2CCCC2)n1)N1CCC[C@@](O)(c2cnn[nH]2)C1 583619034 XETBHNNGIWKDAB-INIZCTEOSA-N 330.392 1.240 0 40 EDAB CNC(=O)[C@@H](Cc1ccccc1)NC[C@@H]1CCO[C@H]1c1ccnn1C 583616777 QSTUHKKJGACMPM-LZLYRXPVSA-N 342.443 1.445 0 40 EDAB CCc1ccnc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1 583618089 BPYYOUARCRPSQM-QGZVFWFLSA-N 329.404 1.550 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@H]1CCN(c1ncc(F)cn1)C2 96039520 BIKOPFBPLLYMBT-RDJZCZTQSA-N 338.427 1.569 0 40 EDAB Cc1cnc(N2CCO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 96074820 HJALTQHELHNJQG-QGZVFWFLSA-N 326.404 1.451 0 40 EDAB C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N(C)Cc1ccc(F)cc1Cl 97235093 CWGOGBSKRMYZNQ-YMTOWFKASA-N 342.798 1.713 0 40 EDAB Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)n(C)n1 96413529 HIZAMFCZUQJDAX-CABZTGNLSA-N 334.326 1.618 0 40 EDAB C[C@@H](C(=O)NCCS(N)(=O)=O)c1ccc(Cl)c(Cl)c1 96445784 YCOHPJQHERQCDS-SSDOTTSWSA-N 325.217 1.502 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(C[C@@H]4CCCO4)CC3)nn2)n1 96453186 VVXLIVUCWLKZMC-HNNXBMFYSA-N 328.420 1.272 0 40 EDAB O=C(NCCc1cscn1)N1CCN(Cc2ccccn2)CC1 97096642 FDRBIXYTSCPKTC-UHFFFAOYSA-N 331.445 1.608 0 40 EDAB CCS(=O)(=O)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 96049094 JNIOXYRBVMGNGM-MRXNPFEDSA-N 342.436 1.847 0 40 EDAB Cn1cc([C@H](O)CNC(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)cn1 96440749 WKXIHHOFDJODJS-RBSFLKMASA-N 334.807 1.962 0 40 EDAB Cc1cc2ncn(C[C@H](O)Cn3ccnc3S(C)(=O)=O)c2cc1C 95438702 LICHGJAGHLYCIH-CYBMUJFWSA-N 348.428 1.314 0 40 EDAB O=C(c1ccco1)N1CCC2(CC1)CN(c1ncccn1)CCO2 96159029 OEAWQRFSCIGSMI-UHFFFAOYSA-N 328.372 1.581 0 40 EDAB O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc2c1OCC2 529806464 UMYZOQANCWYJJO-UHFFFAOYSA-N 338.411 1.777 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Cn1ncc2ccccc21 245339466 TVCNKOHIJAWQKY-MWDDYTRKSA-N 327.384 1.740 0 40 EDAB COc1ccc(CN2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 247865291 ARRYSNRQDNUHPZ-FUHWJXTLSA-N 340.427 1.823 0 40 EDAB O=C(C[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)N1CCCCO1 247891110 YNUJXJCOOAOPKI-QGZVFWFLSA-N 348.447 1.611 0 40 EDAB COc1ccc(C(=O)NCc2cnc(C)nc2[C@@H]2CCCN2C)cn1 257223779 DYUYHSPYKKBIJK-HNNXBMFYSA-N 341.415 1.885 0 40 EDAB NC(=O)c1cc(O[C@H]2CCN(C(=O)/C=C/c3ccco3)C2)ccn1 253473545 WHNAJPHGBGSXLO-XGACYXMMSA-N 327.340 1.467 0 40 EDAB COC(=O)CCc1nc(COc2ccc(N3CCC3=O)cc2)no1 585122973 MAAZAKPTQZHSMO-UHFFFAOYSA-N 331.328 1.491 0 40 EDAB CN(C)CCN(Cc1ccco1)C(=O)c1cccc2c1NC(=O)CO2 585126217 SKEURKJVCNNYFO-UHFFFAOYSA-N 343.383 1.815 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CN3CCCC3)CCO2)n1 257282127 OSKHJDMGSPUVKY-QGZVFWFLSA-N 332.448 1.452 0 40 EDAB COCC(=O)N1CCC[C@@]1(CCCc1cccnc1)C(=O)N(C)C 257222819 DUUIWBHVRSLTIK-SFHVURJKSA-N 333.432 1.500 0 40 EDAB COCCN1C(=O)Cc2c(C)nc([C@@]3(C)CCCN(C(C)=O)C3)nc21 257235715 GZBMMCXBIPUGHM-SFHVURJKSA-N 346.431 1.221 0 40 EDAB CNc1nccnc1[C@H]1CN(S(=O)(=O)C2CCCCC2)CCO1 257278829 ODVHVDMBFZWBIB-CYBMUJFWSA-N 340.449 1.554 0 40 EDAB Cc1cn(C)c([C@H]2CCCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 257295558 QYVVQYJZYAVZOG-AWEZNQCLSA-N 340.493 1.332 0 40 EDAB Cc1nc(C2CCNCC2)cc(N2CC3(CCOCC3)OC2=O)n1 257277509 NYFYJVACCWFWST-UHFFFAOYSA-N 332.404 1.758 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccccc2F)CCN(C2CCOCC2)C1 257294037 QSEFQDMJZZMLFG-MRXNPFEDSA-N 349.450 1.485 0 40 EDAB Cc1nc2n(n1)CCC[C@@H]2N1C(=O)CN(Cc2ccccc2)C1=O 277172672 FZXGKFTUKYDSLA-AWEZNQCLSA-N 325.372 1.886 0 40 EDAB COc1cccc2cc(C(=O)N3CCOC[C@@H]3CN(C)CCO)oc12 85469714 VMOAZSCUNHDDQE-AWEZNQCLSA-N 348.399 1.207 0 40 EDAB Cc1nnc2n1C[C@@H](CN=c1nc(C3CCOCC3)[nH]s1)CC2 596124793 NVCFQTDGHVFWJY-LLVKDONJSA-N 334.449 1.428 0 40 EDAB CSC1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 601688137 IAGQOJQJSWNGAA-AWEZNQCLSA-N 347.440 1.481 0 40 EDAB Cc1ncsc1CCS(=O)(=O)N1CCCC[C@@H]1CC(=O)O 646035438 KRISVRCHSSVLFG-LLVKDONJSA-N 332.447 1.653 0 40 EDAB Cn1ncc(C(F)(F)F)c1CNC1CCN([C@@H]2CCOC2)CC1 657752804 ROIASVMPAURRSE-GFCCVEGCSA-N 332.370 1.782 0 40 EDAB COc1cc(-c2cnc3n2CCN(C(=O)[C@@H]2C[C@H]2C)CC3)ccn1 585111098 DELIARZNRAQQRT-TZMCWYRMSA-N 326.400 1.994 0 40 EDAB O=S(=O)(NCC[C@H]1CN(C2CCCC2)Cc2ccnn21)C1CC1 585112144 JBEBQCVABIHGQN-HNNXBMFYSA-N 338.477 1.654 0 40 EDAB CNC(=O)C1CCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 585289708 VSTLXANBFZVMHZ-RCCFBDPRSA-N 332.444 1.805 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 159312652 GFMZMOXTRPLPEQ-OAHLLOKOSA-N 345.424 1.841 0 40 EDAB COc1ccc(Cl)cc1NC(=O)NC[C@@H]1CCS(=O)(=O)C1 44457466 ARCYKQDITZNJRN-VIFPVBQESA-N 332.809 1.905 0 40 EDAB O=C(N[C@H]1CCc2c(Cl)cccc21)N[C@@H]1CCS(=O)(=O)C1 55088831 WZIFRTCABMHDTB-RNCFNFMXSA-N 328.821 1.814 0 40 EDAB Cn1nc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)ccc1=O 55943506 YGOWOMHQUSMGFG-ZBFHGGJFSA-N 331.347 1.570 0 40 EDAB CCOc1ccc(-c2nc(C(=O)NCc3nn[nH]n3)cs2)cc1 599334139 GVBYNHFKQIGOTF-UHFFFAOYSA-N 330.373 1.652 0 40 EDAB C[C@H](NC[C@@H]1C[C@H](F)CN1Cc1nccn1C)C1CCN(C)CC1 1615057304 RQJYNWYAKXBHPP-XIRDDKMYSA-N 337.487 1.652 0 40 EDAB Cc1nnc(CN(C)C(=O)c2ccc3c(c2)[C@H](CN)CCC3)n1C 1615549417 BCJCIDHMNDHNPN-HNNXBMFYSA-N 327.432 1.774 0 40 EDAB CC[C@@H]1CN(C(=O)C2CCCC2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772594886 DLTIDILUPCYIPO-KBAYOESNSA-N 337.508 1.270 0 40 EDAB CC(C)(C)NC(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12184447 BDWAPFLYNDEWTC-UHFFFAOYSA-N 339.399 1.836 0 40 EDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nccs1 12752879 BXGGSHPSMFWEKS-QMMMGPOBSA-N 336.398 1.209 0 40 EDAB O=C(C[C@H]1C=CCC1)N1CCc2c(O)nc(-c3cnccn3)nc2C1 13268110 KCPVJBLOIRGTBV-LBPRGKRZSA-N 337.383 1.880 0 40 EDAB COC[C@H](C)NC(=O)COC(=O)c1nn(-c2ccccc2)cc1OC 16289329 UHRBHPJOEZTCNC-LBPRGKRZSA-N 347.371 1.189 0 40 EDAB CCCCc1nc2n(n1)[C@@H](C(=O)NCCc1ccccc1)CC(=O)N2 17071403 HHCGFEDCBXTNKE-CQSZACIVSA-N 341.415 1.863 0 40 EDAB Cn1nc(C(=O)N[C@H](c2ccncc2)c2cccs2)ccc1=O 19288507 CIWNTYYYBNEDGR-OAHLLOKOSA-N 326.381 1.756 0 40 EDAB Cc1cccc(CCNS(=O)(=O)N2CCC3(CC2)OCCO3)c1 161811311 LQCBWLMLBJOSSK-UHFFFAOYSA-N 340.445 1.211 0 40 EDAB O=S(=O)(CCCOc1ccccc1)N1CC[C@@H](n2ccnn2)C1 206936361 HHHWMFOFURSDKX-CQSZACIVSA-N 336.417 1.324 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@@H](CO)OC[C@H]2C)c2cccnc12 107528484 KIAKAJUSEHBKER-OLZOCXBDSA-N 336.413 1.314 0 40 EDAB O=C(c1ccc(=O)oc1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 643586129 ZXFBBPZDUBYCCO-FRQCXROJSA-N 341.363 1.399 0 40 EDAB O=C(O)c1ccc(Br)cc1CN1CCn2ncnc2C1 569934091 DQENOKQRWKYGTL-UHFFFAOYSA-N 337.177 1.755 0 40 EDAB O=C([C@H]1CCOC1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390832155 XRLCHNITKKQMAO-AAEUAGOBSA-N 329.443 1.473 0 40 EDAB CCc1cnc(N2CCN(c3cc(C)nc(N(C)C)n3)CC2)nc1 1888857209 JSMXDDULALCKHN-UHFFFAOYSA-N 327.436 1.530 0 40 EDAB COC(=O)c1ccc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1 26320943 XAGSCVBKTAYBGH-NSHDSACASA-N 344.419 1.499 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCCOc1ccccc1 30571271 UZCSVNIBXKPOPU-OAHLLOKOSA-N 340.445 1.386 0 40 EDAB C[C@@H]1CO[C@H](C(=O)N2CCN(c3cnc4ccccc4n3)CC2)C1 1056086129 DJNXYDMZCSNJRT-BBRMVZONSA-N 326.400 1.703 0 40 EDAB C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1nnc2ccccn12 31952217 UBYPCOPHALNGOK-JTQLQIEISA-N 334.339 1.457 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NCCCc1cnc2ncnn2c1 238823543 DEZSWGZXZHFSPY-UHFFFAOYSA-N 349.391 1.483 0 40 EDAB Cn1nccc1CN1CCC2(CC1)CO[C@H](Cc1cnccn1)C2 2037784284 UVLUWUWVLDIRER-QGZVFWFLSA-N 327.432 1.824 0 40 EDAB Cc1ncc(C(=O)N2CC[C@@H]3C[C@]32C(=O)NCc2cccnc2)cn1 2056223811 COLRCEQXAIHOAN-CRAIPNDOSA-N 337.383 1.101 0 40 EDAB O=C(CCc1ccc[nH]1)N1CC[C@H]2C[C@H](C(=O)N3CCCO3)O[C@@H]2C1 1565548368 CCPPDEYUAXGJMX-NUEKZKHPSA-N 347.415 1.117 0 40 EDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(OC(F)(F)F)cc1 10326980 NKNMGISCUUWJIZ-NSHDSACASA-N 332.278 1.819 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N(C)C)cc1C 11899017 JIHNFJPDAJBJSY-KRWDZBQOSA-N 342.443 2.000 0 40 EDAB CCC(=O)NCCn1ncc2c(=O)n(Cc3cccc(C)c3)cnc21 12072214 QKMPLGOJEFRKQB-UHFFFAOYSA-N 339.399 1.476 0 40 EDAB O=C(NCc1ccccn1)c1nnc2n(c1=O)CCN2c1ccccc1 12233586 HRALAGLANBYRBT-UHFFFAOYSA-N 348.366 1.115 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2ccc(C)cc2)C1 2055772044 SLXCFBCAQZFQLZ-IBGZPJMESA-N 340.427 1.498 0 40 EDAB Cc1cccc(S(=O)(=O)NCCC(=O)N2[C@H]3C=CC[C@H]2CC3)c1 208018103 JRLDNWQLHOKDHS-GJZGRUSLSA-N 334.441 1.983 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CCN(c2cnsn2)CC1 585148922 OMNBCSCUUYRPSQ-UHFFFAOYSA-N 341.400 1.081 0 40 EDAB O=C(C1CCN(c2ccn3nccc3n2)CC1)N1CCSCC1 2298047664 HNHGQHLFQKGXEQ-UHFFFAOYSA-N 331.445 1.521 0 40 EDAB Cc1ccn2c(=O)cc(CN3C(=O)NC4(CCCCC4)C3=O)nc2c1 31625139 LOOCKDUIIJFPHV-UHFFFAOYSA-N 340.383 1.758 0 40 EDAB Cc1nc(CNC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cs1 50062457 DORFOLFSKOAPSP-UHFFFAOYSA-N 331.401 1.964 0 40 EDAB COc1ccc(S(=O)(=O)N2CCCN(C(C)=O)CC2)cc1Cl 30327941 UEXJXTPPLJEXTF-UHFFFAOYSA-N 346.836 1.592 0 40 EDAB COC(=O)c1cc(NC(=O)C(=O)NCc2ccccc2)ccc1O 40288154 CPIMESFRCIWFOP-UHFFFAOYSA-N 328.324 1.434 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 30671511 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338.433 1.444 0 40 EDAB COC(=O)c1cc(CN(C)C(=O)[C@H](C)NC(=O)c2ccoc2)oc1C 44973700 SCNWWXJTQQDRKW-JTQLQIEISA-N 348.355 1.745 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2[nH]1 58329955 FOFBIQDLYFSJGN-INIZCTEOSA-N 336.395 1.708 0 40 EDAB C[C@@H]1CCCCN1S(=O)(=O)NCC(=O)NCCc1ccccc1 58306271 GNWGSELRXPAPSB-CQSZACIVSA-N 339.461 1.054 0 40 EDAB CCc1nn2c(=O)cc(CN3CCC(CNC(C)=O)CC3)nc2s1 47772723 KQLJSGDPOUWKBZ-UHFFFAOYSA-N 349.460 1.062 0 40 EDAB O=C(/C=C/c1c(Cl)nc2sccn12)OCCN1CCOCC1 21548792 YZWMQSGPINSYKI-OWOJBTEDSA-N 341.820 1.938 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)n2nnc3ccccc32)c1 3217839 JGRCQRLTJHBWPU-UHFFFAOYSA-N 330.369 1.370 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)o1 48071448 DLIMZKRFTOTWPN-NWDGAFQWSA-N 326.418 1.840 0 40 EDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NC1CCCCCC1 3313968 DEGYBHYYMZHHNJ-UHFFFAOYSA-N 343.383 1.919 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl 3300116 ZXVJGTYASCZMFZ-UHFFFAOYSA-N 330.743 1.799 0 40 EDAB 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1.684 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)NCC(C)(C)C(N)=O)cn2)C[C@H](C)O1 69879279 RNUMUWLUEADCKD-RYUDHWBXSA-N 349.435 1.328 0 40 EDAB COc1ccc2c(CC(=O)NCCCn3ccnc3)cc(=O)oc2c1 9565513 XJVIOLFWCBTLCU-UHFFFAOYSA-N 341.367 1.747 0 40 EDAB C[C@H](NC(=O)COC(=O)C(C)(C)O)c1ccc(Br)cc1 71853911 OWZGXFMQIKNZNJ-VIFPVBQESA-N 344.205 1.940 0 40 EDAB Cc1cc(C)n(-c2nc(C)c(Br)c(N(C)CCO)n2)n1 9134378 BLMYOXSQJKHXOD-UHFFFAOYSA-N 340.225 1.779 0 40 EDAB CN(CC1CC1)C(=O)CN1CCCN(Cc2noc(C3CC3)n2)CC1 71871656 XQSAJVSOOMZFFZ-UHFFFAOYSA-N 347.463 1.323 0 40 EDAB C[C@H](Cn1cccn1)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 71863689 BHJFTMWRSYQVQE-AEFFLSMTSA-N 342.443 1.397 0 40 EDAB Cn1cc(Br)cc(NC(=O)NC(C)(C)C(C)(C)O)c1=O 96004137 QFHCYMIRTRGFMD-UHFFFAOYSA-N 346.225 1.819 0 40 EDAB COc1ccnc(N2CCN(C(=O)NCc3cccc(F)c3)CC2)n1 71803885 KMWLDOUVVMJRDT-UHFFFAOYSA-N 345.378 1.656 0 40 EDAB CN1C(=O)N(C)C(=O)C2(Cc3cc(C=O)ccc3N3CCC[C@H]32)C1=O 9341956 UZYVEKCSCZWADY-AWEZNQCLSA-N 341.367 1.061 0 40 EDAB 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CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1 4420947 JMJGZKPJQVBIJM-COJSNBRMSA-N 327.336 1.696 0 40 EDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 205874 UPNXEFGWIXGZAT-UHFFFAOYSA-N 328.390 1.158 0 40 EDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NCc1ccc(F)cc1 7345356 JOLHKNNRSKDNGL-UHFFFAOYSA-N 347.371 1.181 0 40 EDAB COCc1cc(NC(=O)NCc2cccc(OC)c2OC)ncn1 89420314 VCUFSLWRGLXAAV-UHFFFAOYSA-N 332.360 1.962 0 40 EDAB CCOc1ccc([C@H]2C=C(C(=O)O)Nc3nnnn32)cc1OCC 101675644 PQWZSZNBXRDSJJ-LLVKDONJSA-N 331.332 1.454 0 40 EDAB COc1cccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1 379386 UVSFNHUUMSLYLN-UHFFFAOYSA-N 348.424 1.778 0 40 EDAB Cc1ccc(Cl)cc1NCC(=O)N1CCN(S(C)(=O)=O)CC1 11264732 BEVLXDKIDCBDJF-UHFFFAOYSA-N 345.852 1.164 0 40 EDAB CN1CCN(C(=O)C2CCN(c3ncnc4sccc34)CC2)CC1 52161155 UHFLYCMCOWYNMW-UHFFFAOYSA-N 345.472 1.682 0 40 EDAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCN(c2cnccn2)CC1 11545333 NSXLNARCQJDJSY-HNNXBMFYSA-N 344.802 1.782 0 40 EDAB Cc1[nH]c2c(C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cccc2c1C 29201557 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Cc1ccc([C@@H]2[C@@H](C(=O)N3CCN(C)CC3)CCC(=O)N2C)cc1 57355958 RYAUZZGYKSNYDX-FUHWJXTLSA-N 329.444 1.679 0 40 EDAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N[C@H]3CCCCNC3=O)c12 47172515 BIPHZGNWDCYHAC-ZDUSSCGKSA-N 343.431 1.799 0 40 EDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)N1CCN(c2ccncc2)CC1 47106282 VVWPUOZZRVYSFL-IAGOWNOFSA-N 329.448 1.540 0 40 EDAB CCN(CC)C(=O)N1CCC(C(=O)NCCNc2ncccn2)CC1 47105316 TVLIYBRBUUENDH-UHFFFAOYSA-N 348.451 1.179 0 40 EDAB Cc1nn(CC(=O)N2CCN(c3cnccn3)CC2)c(C)c1Cl 47305706 KENVSIKVVXHWAE-UHFFFAOYSA-N 334.811 1.292 0 40 EDAB CN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)Cc1ccc(F)cc1F 24959260 UZIBTNGBSLDGOD-HNNXBMFYSA-N 346.399 1.090 0 40 EDAB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 107692386 PZJIAMVMIZNWIB-OQMKEHIESA-N 348.311 1.586 0 40 EDAB COc1cccc(CN2CCC3(CC2)CC(NS(C)(=O)=O)C3)n1 108530448 NAAIRTOVFKOCAS-UHFFFAOYSA-N 339.461 1.384 0 40 EDAB O=C(N[C@@]1(C(=O)O)CCSC1)[C@H]1Cc2cc(Cl)ccc2O1 43509725 BKSDWYFAXUJCKI-RISCZKNCSA-N 327.789 1.720 0 40 EDAB COc1c([C@H]2CCCN2[C@H](C)C(=O)Nc2ncccn2)c(C)nn1C 106908315 YRNPMXFESNFWEW-CHWSQXEVSA-N 344.419 1.691 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 25436703 ZQTDDIJKSZWZRW-PWSUYJOCSA-N 344.458 1.041 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCN(Cc2cscn2)CC1 56250147 CINLBGSWENUAJS-UHFFFAOYSA-N 331.445 1.562 0 40 EDAB CCN(Cc1ccoc1)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 108456946 RAXIGZKYILDEOV-WMHQRMGPSA-N 328.368 1.435 0 40 EDAB Cn1cncc1CNCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 108420607 PAEYGJOGOHZZQV-QGZVFWFLSA-N 341.459 1.407 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)[C@H]2CCCCN2C1=O 58082897 NCWBQNMKWNHLQD-LSDHHAIUSA-N 332.400 1.860 0 40 EDAB COCCNC(=O)CN(C)Cc1ccc(OCc2ccccn2)cc1 58245746 JKHRUOCGKCXGBT-UHFFFAOYSA-N 343.427 1.855 0 40 EDAB Cc1cc(C(=O)NCCNC(=O)OC(C)(C)C)c2c(C)nn(C)c2n1 58289654 HULOORCHLYUKRF-UHFFFAOYSA-N 347.419 1.840 0 40 EDAB COc1cc([C@H](C)NC(=O)Cn2cnnn2)ccc1OC1CCCC1 44952868 RVWSIGDXLGVHGI-LBPRGKRZSA-N 345.403 1.881 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)N(C[C@H]2CCOC2)C2CC2)C1=O 44940942 VDQRPXWNCNNASG-UONOGXRCSA-N 344.411 1.828 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(-n2cccn2)nc1 44974367 RFHNPEFYBWHCAR-LBPRGKRZSA-N 339.355 1.295 0 40 EDAB COc1ccc(NC(=O)NC[C@@H](O)COc2cccc(F)c2)cn1 44969958 DTYZISZSQVCHBB-CYBMUJFWSA-N 335.335 1.791 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)NCC(=O)NCCc1ccccc1 58306273 GNWGSELRXPAPSB-AWEZNQCLSA-N 339.461 1.054 0 40 EDAB Cc1ccc2[nH]c(SCC(=O)N3CCC[C@H](C(N)=O)C3)nc2c1 8065522 XXUXTZTYRAERKN-NSHDSACASA-N 332.429 1.687 0 40 EDAB COc1cc(CNC(=O)c2cc(S(C)(=O)=O)ccc2C)ccn1 48272185 QGAXNWMWCPCMQU-UHFFFAOYSA-N 334.397 1.732 0 40 EDAB CC(C)NC(=O)CCNC(=O)Nc1ccc(-n2cncn2)c(F)c1 62413038 LDXUJQCSZQIKDF-UHFFFAOYSA-N 334.355 1.443 0 40 EDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 3460382 ZBWLFNIMANWFDD-IBGZPJMESA-N 337.379 1.770 0 40 EDAB CN1C[C@H](NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1=O 81729413 JVEGXZCRFXWMDE-CYBMUJFWSA-N 326.356 1.575 0 40 EDAB CCCCn1c(N)c(N(CC(C)C)C(=O)NCCC)c(=O)[nH]c1=O 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1.523 0 40 EDAB COC(=O)N[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(C)C 69704409 UHLWXEGRIBTEOF-CVEARBPZSA-N 333.432 1.758 0 40 EDAB CN(C)C(=O)[C@H]1CSCN1C(=O)c1cccc(OC(F)F)c1 66657670 JDVCABXQPLZHTQ-LLVKDONJSA-N 330.356 1.891 0 40 EDAB Cc1noc(CN2CCN(CC[S@@](=O)c3ccccc3)CC2)n1 69808446 RUHFDJUXPHVXPB-QHCPKHFHSA-N 334.445 1.303 0 40 EDAB O=S(=O)(NCC1(c2ccc(Cl)cc2)CC1)N1CCOCC1 66937280 CKDHSTRLRLDUCO-UHFFFAOYSA-N 330.837 1.538 0 40 EDAB O=S(=O)(CCCN1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 69872921 OGICCVSIGJVGEV-MRXNPFEDSA-N 348.472 1.854 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2sccc2C2CC2)C1 67163433 PFKVEVKXIBPAGI-LLVKDONJSA-N 328.459 1.779 0 40 EDAB O=C(CCn1cncn1)NC[C@H]1CCCCN1Cc1ccccc1 67360937 LSSQNTYXDJVAHS-QGZVFWFLSA-N 327.432 1.839 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)NCCc1nc[nH]c12 8995324 VRANJLBVHPRNLB-UHFFFAOYSA-N 340.383 1.416 0 40 EDAB CC(C)Cc1nc(CN2CCN(C(=O)c3ccncc3)CC2)no1 93255967 DSJAQRFJRWYSOR-UHFFFAOYSA-N 329.404 1.621 0 40 EDAB Cc1nnc([C@H](C)N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)o1 71819441 XAQSBYGBOWECNW-XQQFMLRXSA-N 336.436 1.787 0 40 EDAB C[C@H](OC(=O)c1ccccc1O)C(=O)Nc1sccc1C(N)=O 9497764 XZHWCNDRYMYKFC-QMMMGPOBSA-N 334.353 1.737 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cn1c(=O)n(C)c2ccccc21 71870384 ULPLUSSCDZMTGX-HOCLYGCPSA-N 342.443 1.425 0 40 EDAB Cc1cnn(CC2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)c1 71877036 JCTYYSHLVSSTFX-ZWKOTPCHSA-N 337.464 1.460 0 40 EDAB CN(C)[C@H]1CCCN(C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)C1 83847920 YXMXDGNFZFMMSH-KBPBESRZSA-N 330.432 1.848 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)C[S@@](=O)c2cccc(Cl)c2)C1 89774679 KCKDKKQZWUNQNU-CWKPULSASA-N 328.821 1.172 0 40 EDAB C[C@H]1COC[C@@H](C)N1CC(=O)Nc1ccccc1SCC(N)=O 72293993 GRPXGWPGZNZYEN-TXEJJXNPSA-N 337.445 1.312 0 40 EDAB COc1c([C@H]2CCCN2C(=O)Cn2nc(C)cc2C)c(C)nn1C 72234329 BXEOGRUMOLQXCC-CQSZACIVSA-N 331.420 1.914 0 40 EDAB C[C@H](NC(=O)CNC(=O)c1ccc(Br)cc1)[C@@H](C)CO 97095511 UTJSAQCNBJDHQZ-UWVGGRQHSA-N 343.221 1.312 0 40 EDAB CCC[C@@H](NC(=O)c1ccc(Br)cn1)c1nnn[nH]1 97014382 CFOUGZVWEUYBTP-MRVPVSSYSA-N 325.170 1.628 0 40 EDAB C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1nncn1C 89913957 RJLYCZWHGNXAME-QWHCGFSZSA-N 332.408 1.605 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)CCn1c(=O)oc3ccccc31)CC2 97199041 QTLKOGJURCYEGW-GFCCVEGCSA-N 341.371 1.016 0 40 EDAB Cc1ccc(-c2n[nH]c(NC(=O)c3cnc4c(c3)nnn4C)n2)s1 97113673 RINGOOHAHICODI-UHFFFAOYSA-N 340.372 1.771 0 40 EDAB CC(C)S(=O)(=O)N1CC[C@H](NCc2ccc(CO)o2)[C@@H](C)C1 72300653 UBGFKTVXGGMYIU-WFASDCNBSA-N 330.450 1.310 0 40 EDAB C[C@@H](NC(=O)CN1CCc2nn(C)c(=O)cc2C1)c1cccs1 72302454 RGNPDYMEGZEYLY-LLVKDONJSA-N 332.429 1.077 0 40 EDAB Cc1ccc(NC[C@@H]2CCN(CCC(=O)N3CCOCC3)C2)nc1 97200831 DGCSBCLJRKJKND-INIZCTEOSA-N 332.448 1.373 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1CCc2nnc(C)n2C1 65575209 GCGSZZIIRJPWAF-OAHLLOKOSA-N 344.463 1.730 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cnn(C)c1 95415741 XEIZTFXIQSHPLN-XJKSGUPXSA-N 347.463 1.962 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCCc2nc(C3CC3)no2)CC1 95401949 ACSSPBCZEVLIND-OCCSQVGLSA-N 346.431 1.597 0 40 EDAB CC(C)N(CC(C)(C)O)C(=O)NCc1ccc(-n2ccnc2)nc1 95434890 ANGZFZZQOFYCOJ-UHFFFAOYSA-N 331.420 1.958 0 40 EDAB CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCCS1(=O)=O 95972237 YFCCICXWRFFIDS-AWEZNQCLSA-N 340.401 1.414 0 40 EDAB COC(=O)c1cc(CN2CCN(C[C@H]3CCOC3)CC2)c(C)s1 89140119 ALQVQLTZRUZQRX-CQSZACIVSA-N 338.473 1.997 0 40 EDAB CCn1cc([C@@H]2OCC[C@H]2CNCc2c(C)nn(CCO)c2C)cn1 89305993 TUSOCFSLDUJJHH-MAUKXSAKSA-N 347.463 1.576 0 40 EDAB O=C(OCC(=O)N1CCCCC1)c1cccc(N2C(=O)C=CC2=O)c1 409219130 JGIXARWROGTPMW-UHFFFAOYSA-N 342.351 1.285 0 40 EDAB C[C@@]1(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)NC(=O)NC1=O 528700953 FNSGDNRIEAKTFR-AHIWAGSCSA-N 347.440 1.688 0 40 EDAB COCC(=O)N1CCC[C@H](c2cc(CCC(=O)N(C)C)nc(C)n2)C1 72367007 WOLYBCUKPFGFAV-AWEZNQCLSA-N 348.447 1.158 0 40 EDAB COc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1F 30583847 NDLFNINARFCZIN-LBPRGKRZSA-N 344.408 1.378 0 40 EDAB Cc1c(NC(=O)[C@@]2(C)Oc3ccccc3N=C2O)c(C(N)=O)nn1C 36367175 ZOZWDWYYUFZOBR-INIZCTEOSA-N 343.343 1.205 0 40 EDAB CC(=O)N1CCC[C@@H](Cc2cncc(C(=O)N3CCOCC3)c2)C1 72365746 OGBZMEONEJNBHS-HNNXBMFYSA-N 331.416 1.355 0 40 EDAB CN(Cc1ccco1)C(=O)CN1CCNC(=O)[C@@H]1c1cccs1 72800479 ODABOFYPRWVRLF-HNNXBMFYSA-N 333.413 1.473 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)C2 72278889 SYDDAEGIMAKZOA-HNNXBMFYSA-N 347.440 1.481 0 40 EDAB COc1ccc(CCNC(=O)Cn2ncc3c2c(C)nn3C)cc1 40714625 VOCCSZPCERXNNN-UHFFFAOYSA-N 327.388 1.446 0 40 EDAB Cc1cccc(N2C[C@H](C(=O)NCCNC(=O)C3CC3)CC2=O)c1C 43944981 YDAWERXROISLFX-OAHLLOKOSA-N 343.427 1.299 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)Cc3ccccc3F)C2)nn1 225438117 RFIZECJKOFZJSH-CYBMUJFWSA-N 331.347 1.847 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@](C)(O)CSC 75157311 GDYUEEQAIXSLAV-GFCCVEGCSA-N 339.866 1.741 0 40 EDAB COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)NC(=O)[C@H](C)c1ccccc1 225789174 YUDKDSZFXLQGHP-TUAOUCFPSA-N 327.402 1.434 0 40 EDAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCO 222828848 AYNOIYQBFWPFBW-LBPRGKRZSA-N 326.824 1.966 0 40 EDAB CCn1cc([C@@H]2CN(C(=O)NCc3cccc(C)n3)CCO2)cn1 191378245 DRPSWSXICKUQES-INIZCTEOSA-N 329.404 1.890 0 40 EDAB CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cnn(C)c3)C2)O1 96206721 YCHUNQVIJLDEIJ-NVXWUHKLSA-N 335.452 1.205 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccsc3)CCO[C@@H]2C1 96108224 JNARVIUEVSGYQL-UONOGXRCSA-N 330.475 1.230 0 40 EDAB Cn1nnnc1S[C@H](C(N)=O)c1ccc(Br)cc1F 96422204 UNNXDQDEVDFAJW-QMMMGPOBSA-N 346.185 1.430 0 40 EDAB Cn1cccc(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)c1=O 96436513 ICKZEQFQVQZYGQ-MRXNPFEDSA-N 341.411 1.615 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 96226233 IVTAKCHUOLORDQ-GOSISDBHSA-N 326.400 1.921 0 40 EDAB CN(C)S(=O)(=O)N1CCC2(CC1)CO[C@H](COCC1CC1)C2 96106037 HYHSCOCYCVBOBW-AWEZNQCLSA-N 332.466 1.091 0 40 EDAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CCn2ccnc2)CC1 97373803 HSSNHRNZTASNHZ-INIZCTEOSA-N 347.850 1.381 0 40 EDAB CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)c3cccs3)CC[C@H]21 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SJBZHOVYAHNARS-CQSZACIVSA-N 348.472 1.686 0 40 EDAB Cc1sc(NCc2ccccc2CN2CC[C@H](O)C2)nc1C(=O)O 580837644 XXKMIPHKLHGQJN-AWEZNQCLSA-N 347.440 2.328 0 40 EDAB Cn1cc(CN2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cn1 96065931 OAQIXOIHZXQGSA-KURKYZTESA-N 328.416 1.764 0 40 EDAB O=C(/C=C/c1cccnc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257285248 PGGNWTHBAFSVQB-LRPXVYOUSA-N 337.370 1.398 0 40 EDAB COc1cc(OC)cc(C(=O)N2CC[C@@](O)(CN3CCCC3)C2)c1 257221072 DNJPWNPBXVRCDP-GOSISDBHSA-N 334.416 1.377 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nnc(C2CC2)n1C 527536184 PSQDUMGWZLLNTM-AWEZNQCLSA-N 325.372 1.609 0 40 EDAB C[C@@]1(C(=O)NCc2ccc(N=c3cc[nH]cc3)cc2)CCC(=O)NC1 585127953 NQMMNYHGWDUODG-LJQANCHMSA-N 338.411 1.780 0 40 EDAB COc1ccc([C@H]2CN(C(C)=O)CCN2Cc2cncn2C)cc1 257313007 UQPGZMNWRLJNMT-GOSISDBHSA-N 328.416 1.834 0 40 EDAB CCN1CC[C@@H](NC(=O)NCCO)[C@H]1c1cc(F)c(F)c(F)c1 253370431 QVLZVPMEGSMOKG-TZMCWYRMSA-N 331.338 1.531 0 40 EDAB O=C(CCn1ccnc1)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257202491 AMCVRJDOFQCKQW-HOTGVXAUSA-N 330.388 1.099 0 40 EDAB CCn1cnnc1CNS(=O)(=O)[C@H]1Cc2ccccc2[C@H]1OC 1615623262 RUIHDTSODZIHKK-DZGCQCFKSA-N 336.417 1.030 0 40 EDAB CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(C(=O)C1(F)CCC1)C2 575405722 UVSXRBWYUXVLRE-NSHDSACASA-N 330.425 1.070 0 40 EDAB Cc1cccc(S(=O)(=O)N2CC(F)(F)C[C@@]3(CCNC3=O)C2)c1 585093171 HCFLKLMVAHDLAX-AWEZNQCLSA-N 344.383 1.531 0 40 EDAB O=C(CCc1ccno1)N1CCOC[C@@](O)(COc2ccccc2)C1 585276301 GBEIFKKSHFRCKP-GOSISDBHSA-N 346.383 1.276 0 40 EDAB CO[C@H]1CCN(C(=O)/C=C/c2cnc[nH]2)CC[C@@H]1CC(=O)N(C)C 585288452 AWXHPEKLESQUAN-GRJAPKLVSA-N 334.420 1.155 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2ccccn12 43934610 ZIMFTZDGOZDIDQ-LLVKDONJSA-N 333.392 1.301 0 40 EDAB CC(=O)N1CCC(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1 48155133 WPDJKSGZOABVAS-CZUORRHYSA-N 325.453 1.892 0 40 EDAB C[C@H](NC(=O)NCCCN1CCCC1=O)c1ccc2c(c1)OCCO2 48272826 YRDCKUDVAXVORH-ZDUSSCGKSA-N 347.415 1.831 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)NCc2cccc3c2OCCO3)c1C 67027652 ZCQVDMJJEVSXON-UHFFFAOYSA-N 329.356 1.098 0 40 EDAB Cc1ccnc(NC(=O)CS(=O)(=O)NC2CCC(C)CC2)c1 69562185 QZQJVRDMBCKYAP-UHFFFAOYSA-N 325.434 1.827 0 40 EDAB CSC[C@@](C)(O)CNS(=O)(=O)c1ccc2c(c1)CCCC2 75157306 BXBLEFGHGJUXPW-HNNXBMFYSA-N 329.487 1.958 0 40 EDAB C[C@](Cn1cnc2ccccc21)(NC(=O)C[C@@H]1CCOC1)C(=O)O 1604246477 CIDDGWPANXHGPP-YVEFUNNKSA-N 331.372 1.422 0 40 EDAB C[C@H]1CN(c2ccccc2)CCN1C(=O)C1=CS(=O)(=O)CCC1 1616037384 HOFBKTWJFOOUCU-AWEZNQCLSA-N 334.441 1.816 0 40 EDAB CSc1ncc(Br)c(N2CC(n3nccn3)C2)n1 1889082796 ZJCRZWFDWJGPLV-UHFFFAOYSA-N 327.211 1.614 0 40 EDAB O=C(c1cscn1)N1CCc2c(O)nc(-c3cnccn3)nc2C1 13268119 IXIXVUWVRFEFKZ-UHFFFAOYSA-N 340.368 1.294 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCN1CCCCCC1 13688953 QLKGXZWSXASGCX-IYBDPMFKSA-N 347.459 1.320 0 40 EDAB O=C(C1CC1)N1CCC[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C1 19375617 LNLIVPNMGSATGD-GFCCVEGCSA-N 333.413 1.848 0 40 EDAB Cc1nc(CC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cs1 19746172 SKQXFYVSJLJFGJ-UHFFFAOYSA-N 347.444 1.888 0 40 EDAB COCCS(=O)(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 101569977 IAWCVAQDLZSVKX-UHFFFAOYSA-N 342.461 1.179 0 40 EDAB Cc1c([C@@H]2CCCN(C(=O)c3ccncc3)C2)n2c(nc1=O)CCC2 19554867 QFLHQAHNYOAZES-OAHLLOKOSA-N 338.411 1.913 0 40 EDAB Cc1cc(C)n(-c2cc(N3CC(C(=O)NC4CCCC4)C3)ncn2)n1 390826877 QLLDDKNHDLSHMI-UHFFFAOYSA-N 340.431 1.774 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(C)ccc2O)cc1 10029958 STLQBZQFANBUPY-UHFFFAOYSA-N 348.424 1.680 0 40 EDAB CC(C)c1nccc(N2CCN(c3ccc(N(C)C)nn3)CC2)n1 1889089527 ZKVABYQRKYDYGH-UHFFFAOYSA-N 327.436 1.783 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 29207704 DLHPJKDENAVZEL-VIIAAUOXSA-N 342.848 1.893 0 40 EDAB O=C1C[C@@H](Cn2cc(C(=O)N3CCC3)nn2)CN1Cc1ccccc1 2086992573 XHJPAWPSSJREPM-OAHLLOKOSA-N 339.399 1.173 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 1565550449 AWUSSXUCRQLZBQ-BORJPKMPSA-N 346.452 1.986 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@H]2O1 1565544097 CZSBXXSIELMYLX-RWMBFGLXSA-N 348.378 1.313 0 40 EDAB Cc1cc(C)n(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 106920 GIFKAVGFNCVXDL-OAHLLOKOSA-N 333.413 1.993 0 40 EDAB COc1ccc(CC(=O)NC[C@@](C)(O)Cc2ccco2)cc1OC 206615878 ABJXWPAEMGKZOC-SFHVURJKSA-N 333.384 1.949 0 40 EDAB COc1ncc(NS(=O)(=O)Cc2ccc(F)cc2)c(OC)n1 585436260 AKVMYULDKZVXSV-UHFFFAOYSA-N 327.337 1.575 0 40 EDAB CCOC(=O)CCNC(=O)NCc1nnnn1-c1ccc(C)c(C)c1 9571318 AAGKPZZZHFKSED-UHFFFAOYSA-N 346.391 1.032 0 40 EDAB O=S(=O)(NCC[C@@H](O)c1ccco1)c1ccc2c(c1)OCCO2 77111778 OIILDQLKWMVWKA-GFCCVEGCSA-N 339.369 1.453 0 40 EDAB O=c1c(Cl)c(N2CCOCC2)cnn1-c1cccc(Cl)n1 20032042 QKUDSLSKTSQZQJ-UHFFFAOYSA-N 327.171 1.771 0 40 EDAB CS(=O)(=O)N1CCN(c2ncnc3c2oc2ccccc23)CC1 24534478 DUUUXWTXUCUHMF-UHFFFAOYSA-N 332.385 1.458 0 40 EDAB COc1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)O)c(OC)c1 195711 RZNDDMMGHVEEPI-CQSZACIVSA-N 348.355 1.868 0 40 EDAB CN(C)C(=O)CN1CCCN(Cc2ccc(-n3cccn3)cc2)CC1 24678168 YGPPQCOCVXZRAB-UHFFFAOYSA-N 341.459 1.468 0 40 EDAB Cc1ccccc1CCNC(=O)Cn1nc2c(cc1=O)CCCC2 24929785 QKNHPDWOLARUHY-UHFFFAOYSA-N 325.412 1.789 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1 106512269 JBZNUNZYCOGCPA-AJNGGQMLSA-N 328.478 1.601 0 40 EDAB O=C(c1noc2c1CCCC2)N1CCN(c2cc(Cl)ncn2)CC1 78997941 RZCRWLUYCMSCRJ-UHFFFAOYSA-N 347.806 1.959 0 40 EDAB C[C@@H]1CN=C(N2CCN(CC(=O)N[C@H](C)c3ccco3)CC2)S1 79497530 YIEJRIRURIZMMG-CHWSQXEVSA-N 336.461 1.566 0 40 EDAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2nc(C)no2)CC1=O 79642388 AWOQVSUKZSHLSH-NSHDSACASA-N 330.344 1.687 0 40 EDAB O=C(CNC(=O)c1ccc(-n2cnnn2)cc1)OCc1ccccc1 25168908 IGGZMPZAZREVSH-UHFFFAOYSA-N 337.339 1.136 0 40 EDAB Cc1ccc(CNC(=O)CN2CCN(C[C@H](C)O)[C@@H](C)C2)s1 106868152 KOFKRHOFQNPBTA-STQMWFEESA-N 325.478 1.060 0 40 EDAB NC(=O)[C@H](N[C@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1 106906293 YOJSKRWFIVCOKW-GOEBONIOSA-N 329.379 1.401 0 40 EDAB CC(C)[C@@H](c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1 4399662 JILSNLMJGBOHKY-INIZCTEOSA-N 342.447 1.616 0 40 EDAB CCN(CC)C(=O)c1cnc(NS(=O)(=O)c2ccccc2)nc1 4913915 NHBADSHUQXQYJG-UHFFFAOYSA-N 334.401 1.759 0 40 EDAB Cc1csc(=O)n1CC(=O)OCC(=O)c1ccc2c(c1)OCO2 7673409 HKOUMLCEXLSNEP-UHFFFAOYSA-N 335.337 1.373 0 40 EDAB O=C(c1cc(Br)c[nH]1)N1CCN([C@H]2CCC[C@H]2O)CC1 72268971 XSTJBNNOXIWLRI-QWHCGFSZSA-N 342.237 1.448 0 40 EDAB O=C(NCCCN1CCCCC1)c1cccnc1N1CCOCC1 44896954 LRTFEBLJQORIED-UHFFFAOYSA-N 332.448 1.524 0 40 EDAB COc1ccc([C@H](NC(=O)Cn2cn[nH]c2=O)c2ccccc2)cc1 97102827 DQDNOQIWZQGNSQ-QGZVFWFLSA-N 338.367 1.486 0 40 EDAB Cc1ccc(S(=O)(=O)NCCC(=O)N(C)C)cc1C(F)(F)F 58294150 GEFGCMZTIXXQSX-UHFFFAOYSA-N 338.351 1.770 0 40 EDAB O=C(NCc1cccnc1)NCc1cccnc1N1CCOCC1 44908621 JDFUWCGGTMYOJD-UHFFFAOYSA-N 327.388 1.313 0 40 EDAB CNC(=O)Cc1ccccc1NC(=O)NCc1ccccc1CO 58341397 GSOYMUFPPWLNOG-UHFFFAOYSA-N 327.384 1.789 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3nc(C)cs3)CC2)C1 48165987 RBBMELPPBSUREC-CQSZACIVSA-N 336.461 1.359 0 40 EDAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cc2ccccc2F)C1 57318953 UBRKQXUIEDDVTG-ZFWWWQNUSA-N 336.407 1.758 0 40 EDAB NC(=O)COc1cccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1 28356153 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EDAB C/C(NN1CCCCC1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 9329370 RETZIFGABHHMGJ-WYMLVPIESA-N 328.372 1.534 0 40 EDAB COc1ccccc1N1C(=O)/C(=C/NCCO)c2ccccc2C1=O 6166223 KUWJULXUZIGTAN-NTCAYCPXSA-N 338.363 1.805 0 40 EDAB CC(C)c1nn(C)cc1CNc1cc(N2CCC[C@@H]2CO)ncn1 72276282 KNRQYXPGDLSSGH-CQSZACIVSA-N 330.436 1.907 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)no1 5298858 XLLGWKCRIAENDE-JTQLQIEISA-N 341.414 1.836 0 40 EDAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)O 5258966 GRVGHRORELXGGM-TVQRCGJNSA-N 329.374 1.235 0 40 EDAB CC1CCN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1 4454571 VLGGXSQIROXDBX-UHFFFAOYSA-N 328.409 1.850 0 40 EDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 65414448 KKPLQFFHSBQGJP-LLVKDONJSA-N 325.359 1.386 0 40 EDAB O=C1C[C@H](c2ccccc2)N(C(=O)NCCc2ccccn2)CCN1 65530092 RUTCMBCWYAKUQZ-QGZVFWFLSA-N 338.411 1.897 0 40 EDAB CC(C)c1nnc2n1C[C@@H](NC(=O)[C@H]1CC(=O)N(CC3CC3)C1)CC2 65536254 SNQIHSJIGZDCJI-KBPBESRZSA-N 345.447 1.091 0 40 EDAB CCCC[C@@H]1CCC[C@@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O 65513658 SOXLMNJBUICKOJ-OCCSQVGLSA-N 331.420 1.605 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)CNc1ncnc2cc(Cl)ccc12 65627121 XWMJGEJHEKEBBO-ZDUSSCGKSA-N 347.806 1.432 0 40 EDAB COC(=O)c1cc(NCC(=O)N2CCNC2=O)cc(C(F)(F)F)c1 65614583 DAWLAENRMOSHIX-UHFFFAOYSA-N 345.277 1.456 0 40 EDAB CN(C)C(=O)[C@@H](OC(=O)CCNC(=O)c1ccco1)c1ccccc1 5505398 IECRGHSGYACADS-INIZCTEOSA-N 344.367 1.772 0 40 EDAB CCOc1ccc(N(CC(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 4851527 JZDAYFWGOMYXPV-GFCCVEGCSA-N 328.434 1.766 0 40 EDAB CCN1CCO[C@H](C(=O)Nc2cccc(-n3c(C)c[nH]c3=O)c2)C1 96444671 JTWIRUPWSHOHMU-HNNXBMFYSA-N 330.388 1.133 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 16046813 BWQYZYRMFKXNMM-GFCCVEGCSA-N 348.428 1.621 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CC2)no1 71841288 SDQHKLPSTRXPLD-HZPDHXFCSA-N 329.404 1.164 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 71881913 JDKKXKLVLSUCJP-IXDOHACOSA-N 338.492 1.766 0 40 EDAB CC[C@H]1CN(C(=O)CN(C)Cc2cnn(-c3ccccc3)n2)CCO1 71830892 ZRAWCXRSWRTINK-KRWDZBQOSA-N 343.431 1.337 0 40 EDAB CC[C@@H]1CN(C[C@H](O)c2ccc(F)cc2F)CCN1C[C@@H](C)O 71864691 YCBPESVSRSXLDH-MRRJBJDNSA-N 328.403 1.775 0 40 EDAB Cn1ccc(CN[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1=O 71828282 NHINKUDJWPHRSL-GOSISDBHSA-N 341.411 1.075 0 40 EDAB NS(=O)(=O)NC[C@H]1CCCN(Cc2cc3ccccc3s2)C1 97032670 UDLLFRGFTOEKNB-GFCCVEGCSA-N 339.486 1.906 0 40 EDAB Cc1ccc([C@@H](NCC(=O)N2CCNC(=O)C2)C(F)(F)F)cc1 71841049 JFJAGPNHKFYAEF-CQSZACIVSA-N 329.322 1.146 0 40 EDAB Cc1nn(CC(=O)N2CCN(Cc3cccnc3)CC2)c(C)c1Cl 71819830 OKEIAHAFAYHBHF-UHFFFAOYSA-N 347.850 1.893 0 40 EDAB Cn1c([C@@H]2CCCN2C(=O)CN2CCCC2=O)nc2ccccc21 71839184 JXACJCAEVRMIGV-HNNXBMFYSA-N 326.400 1.859 0 40 EDAB C[C@H](O)CN1CCN(C[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1 71877371 LSIARQDOIBDJRO-XJKSGUPXSA-N 346.393 1.911 0 40 EDAB O=C1CCC(=O)N1C[C@@H](O)CN1CCC[C@@H]1c1ccccc1Cl 71898298 YJXWULYBXJHOJS-SWLSCSKDSA-N 336.819 1.987 0 40 EDAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H](n2cccn2)C1 69328441 WJYIIHAKVOKNEX-HZPDHXFCSA-N 340.431 1.753 0 40 EDAB CCn1cc([C@@H]2OCC[C@@H]2CN[C@@H](C)C(=O)Nc2cc(C)on2)cn1 83843415 YOMHKZWEDPNHSY-WOSRLPQWSA-N 347.419 1.894 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)c1C 83836736 DBLHTVHAIIFAOY-CABCVRRESA-N 335.429 1.456 0 40 EDAB CC[C@@](C)(NS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)OC 69444264 PAIJGDGFKWFSDY-GFCCVEGCSA-N 325.308 1.724 0 40 EDAB Cc1noc([C@H](C)N2CCN(Cc3nnc(-c4ccco4)o3)CC2)n1 69415351 WARGXFNLRSEDOF-NSHDSACASA-N 344.375 1.900 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2CCN(Cc3nccn3C)CC2)c1 69452941 CSGLWVXKXWIJPD-KRWDZBQOSA-N 344.459 1.286 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN([C@@H](C)C(=O)NCc3ccco3)CCO2)n1 69441337 QYDYHFKTXJRXFU-RDJZCZTQSA-N 346.431 1.499 0 40 EDAB COc1ccc2c(C)c(CC(=O)NCCCN(C)C)c(=O)oc2c1 8490988 ITFQFJLAVQQTQG-UHFFFAOYSA-N 332.400 1.720 0 40 EDAB CN(CCn1cnnc1)c1cc(C(=O)NC2CC2)c2ccccc2n1 83861147 ZMUZZOGJYWLYDG-UHFFFAOYSA-N 336.399 1.855 0 40 EDAB Cc1noc(CN2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)n1 69591154 KRQHARZKZOZWHQ-UHFFFAOYSA-N 338.415 1.882 0 40 EDAB CC(C)CNC(=O)COc1ccc(NC(=O)c2cnn(C)c2)cc1 69706510 ZHPQNTUUZLJYFF-UHFFFAOYSA-N 330.388 1.823 0 40 EDAB CN(CCNS(C)(=O)=O)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 69873862 YFLKIERDLOBRLC-UHFFFAOYSA-N 349.456 1.668 0 40 EDAB CCN(CC)CCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1 18177905 NOOQFYGVUBURBN-UHFFFAOYSA-N 328.438 1.187 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCCC[C@@H]3Cn3cccn3)nc2n1 69968111 PXUPXBWVTMKYPM-CQSZACIVSA-N 339.403 1.633 0 40 EDAB CCN(CC(=O)O[C@@H](C)C(=O)NC(N)=O)Cc1ccc(Cl)cc1 69974899 DEIGOFSHCFXNRP-JTQLQIEISA-N 341.795 1.289 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNC(=O)NCC(=O)Nc1cccnc1 69978258 SPYNDNNMHLTGPQ-DZGCQCFKSA-N 334.420 1.915 0 40 EDAB Cc1cc(C)n2c(CNC(=O)NCCc3cccc(F)c3)nnc2n1 8757128 DFSHYVDEFJSGFX-UHFFFAOYSA-N 342.378 1.922 0 40 EDAB Cc1ccc2n1CCN(C(=O)CCn1nc3ccccn3c1=O)[C@H]2C 84210053 VZIWHVOQYFQELT-AWEZNQCLSA-N 339.399 1.599 0 40 EDAB O=C(COC(=O)c1c(Cl)nc2sccn12)NC[C@@H]1CCCO1 9049831 VMGIXCSTKUHCDL-QMMMGPOBSA-N 343.792 1.501 0 40 EDAB C[C@@H](CN1CCOCC1)OC(=O)c1ccn(-c2ccccc2F)n1 97107110 NRTOMEVBRIUWTI-ZDUSSCGKSA-N 333.363 1.889 0 40 EDAB CN(C(=O)NCCCn1cccn1)[C@H]1CCN(c2ccccc2)C1=O 73605837 ZIKIDEMWDGSAOX-INIZCTEOSA-N 341.415 1.720 0 40 EDAB NS(=O)(=O)c1cnc(NC[C@H](O)c2ccc(F)c(F)c2)s1 95347295 YPUQQUPTVLXKRB-VIFPVBQESA-N 335.357 1.214 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NCCOc1ccc(S(C)(=O)=O)cc1 95422065 ZABSBLZHPDPGGL-INIZCTEOSA-N 349.456 1.870 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)NN1CCc2ccccc2C1=O 95457363 FETNLQUEJNKFKI-UHFFFAOYSA-N 333.388 1.631 0 40 EDAB O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCCC2(C1)OCCO2 95443528 GFGXHWIZJAOUTA-LBPRGKRZSA-N 336.354 1.626 0 40 EDAB CCCCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 95947200 SUFKYZYYLANTEK-KRWDZBQOSA-N 345.443 1.051 0 40 EDAB Cc1ccc(C(=O)NC[C@@H](O)COc2c(C)cccc2C)c(=O)[nH]1 75123737 YHMDUQGZVKTANK-CQSZACIVSA-N 330.384 1.470 0 40 EDAB Cc1sc2ncnc(N3CCc4nn(C)c(=O)cc4C3)c2c1C 76063896 AAHRGRMJYBCOQG-UHFFFAOYSA-N 327.413 1.965 0 40 EDAB C[C@@](O)(CNC(=O)Nc1ccc(F)cc1Cl)CN1CCOCC1 76023370 RDVWXKQHHWJULD-OAHLLOKOSA-N 345.802 1.684 0 40 EDAB Cn1nccc1-c1nnc(NC(=O)Cn2c(=O)oc3ccccc32)o1 62017505 RZCMKYWQOPQULS-UHFFFAOYSA-N 340.299 1.017 0 40 EDAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)NC(C)C)O2 64988419 ZMYKZWWDTDYSJV-AWEZNQCLSA-N 326.418 1.437 0 40 EDAB COc1cc(CNCCNCCO)ccc1OCCc1ccccc1 22107706 IORQYGKUOVIXEL-UHFFFAOYSA-N 344.455 1.988 0 40 EDAB O=C(NS(=O)(=O)c1cccc2nsnc12)[C@@H]1CC[C@@H]2C[C@H]2C1 408498759 KWSKVWJMBCIRRM-BBBLOLIVSA-N 337.426 1.932 0 40 EDAB CC(C)(Cc1ccc(Br)cc1)NC(=O)Cn1cnnn1 66515487 LUVWOVXOFKOAEE-UHFFFAOYSA-N 338.209 1.573 0 40 EDAB CCOCCCNC(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 409146249 KJEVKJFYRBKORO-UHFFFAOYSA-N 342.461 1.558 0 40 EDAB O=C(O)COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1 33790490 JLPBSAAQLITCHZ-BJMVGYQFSA-N 337.309 1.271 0 40 EDAB CN1C[C@@]2(CCN(C(=O)C3CC3)C2)Oc2ccccc2S1(=O)=O 306140200 UMQLBMVXXJOXNP-MRXNPFEDSA-N 336.413 1.081 0 40 EDAB CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 36366510 KZJRCMBGFAQBPR-UHFFFAOYSA-N 341.458 1.057 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N(C)CCCOc1ccc(F)cc1 30267740 AWLJMTMUJLXVKM-LBPRGKRZSA-N 325.384 1.761 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)C1=CCCCC1)C2 306133761 MVFFCHPOADVQSB-CQSZACIVSA-N 327.446 1.539 0 40 EDAB CCSc1nc2nnc(S(=O)(=O)c3ccccc3)c(N)n2n1 72236086 JWQXXXUAXNRZAL-UHFFFAOYSA-N 336.402 1.046 0 40 EDAB COc1ccccc1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238829700 FPPUILZSJZJCHV-ZIAGYGMSSA-N 340.379 1.471 0 40 EDAB COCCn1cc(C(=O)Nc2cnn(C)c2)c2ccccc2c1=O 72402001 JJQNSSZPUJUZEE-UHFFFAOYSA-N 326.356 1.634 0 40 EDAB O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1c[nH]nn1 79311076 UHQNZWDYUFTDLL-VIFPVBQESA-N 341.293 1.712 0 40 EDAB OCCCNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 32604869 MVPVKXVFEDZPSL-UHFFFAOYSA-N 330.392 1.246 0 40 EDAB O=C(O)/C=C/c1ccc2c(c1)OCCOCCOCCOCCO2 33948222 VWXYACHIPWBKOA-DUXPYHPUSA-N 338.356 1.605 0 40 EDAB CCOCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1F 72241627 NJXOKJTTYQKRQT-HZPDHXFCSA-N 338.379 1.267 0 40 EDAB CN(C)CCNc1cccc(C2CCN(S(C)(=O)=O)CC2)n1 72365003 CCCUDUAEUWVVMF-UHFFFAOYSA-N 326.466 1.194 0 40 EDAB O=C(Cn1ccccc1=O)N1CCN(c2nncc3ccccc23)CC1 73102289 GVYRWGDUVIASQL-UHFFFAOYSA-N 349.394 1.140 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2c[nH]c3ncccc23)n1 79354714 QCFLRRMXYFXYOA-NSHDSACASA-N 347.444 1.991 0 40 EDAB Cc1cc(C(=O)N[C@H](C(=O)O)c2ccnn2C)c(C)n1[C@@H]1CCOC1 1548453668 WHYKVIALFWJSEO-DOMZBBRYSA-N 346.387 1.356 0 40 EDAB Cc1c[nH]cc1C(=O)NCCN1CCN(C(=O)c2c[nH]cc2C)CC1 564830105 XIBHDAYBEDTMPU-UHFFFAOYSA-N 343.431 1.147 0 40 EDAB CN(C)S(=O)(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165956 VUORTDQNNOZHSK-KBPBESRZSA-N 341.433 1.942 0 40 EDAB Cc1ccc(-c2nc(Cn3nc(-n4cncn4)ccc3=O)co2)cc1 40539757 LEGAKFZWKPRXBJ-UHFFFAOYSA-N 334.339 1.836 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)NCCSc1ncn[nH]1 222981548 SCRPFUXSUNVJTH-UHFFFAOYSA-N 328.419 1.192 0 40 EDAB C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 69348429 RZDDEYTUKILVLD-OCCSQVGLSA-N 340.445 1.542 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(OC)c2)s1 225236692 YKOWJSQBFHCBAI-UHFFFAOYSA-N 342.402 1.696 0 40 EDAB C[S@@](=O)c1nncn1CC(=O)N1CCc2[nH]c3ccccc3c2C1 329227275 AZCVYHHMHKPIKJ-XMMPIXPASA-N 343.412 1.082 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCCc2c(C(N)=O)cccc21 49734632 SXSNDDYPWDCRLP-UHFFFAOYSA-N 326.400 1.658 0 40 EDAB Cc1ncc(CN2CCN(c3ccc4nncn4n3)[C@H](C)C2)s1 69459587 LTXFPZURKFIPPL-LLVKDONJSA-N 329.433 1.600 0 40 EDAB COCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225950020 DUFLGJIBDPZQQR-LBPRGKRZSA-N 334.825 1.083 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1cccc(Br)c1 69580796 XWDMINVREZCXQA-CABZTGNLSA-N 325.206 1.951 0 40 EDAB COC(=O)CNC(=O)c1cccc(NC(=O)N[C@@H]2CCC[C@H]2C)c1 69809080 KZHBAAIICHBOHB-BXUZGUMPSA-N 333.388 1.900 0 40 EDAB CC(C)c1ccccc1S(=O)(=O)NCC(=O)NCc1ccco1 195576845 RQOLUGZVDFTEDS-UHFFFAOYSA-N 336.413 1.998 0 40 EDAB O=C(O)c1[nH]c(=O)n(-c2cccc(Cl)c2)c(=O)c1CN1CCCC1 222664496 SIJYDFGALVXYQQ-UHFFFAOYSA-N 349.774 1.473 0 40 EDAB COc1ccc([C@H](CN(C)C)NC(=O)c2n[nH]c3c2CCC3)cc1 330032751 RMNNAJVZLVHQCQ-INIZCTEOSA-N 328.416 1.940 0 40 EDAB CC(C)n1cc(N2C[C@H](C(=O)NCc3cccnc3)CC2=O)cn1 96192147 BIWDVLSMJYIPAD-CQSZACIVSA-N 327.388 1.528 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccoc2)Cc2ncn(C)c21 96044864 DEAAJXLOOBPNGL-AWEZNQCLSA-N 332.404 1.217 0 40 EDAB C[C@@H](CCNC(=O)c1cc2n(n1)CCCC2)NC(=O)c1ccns1 1077073204 SDUUAUUPKFDOHZ-NSHDSACASA-N 347.444 1.614 0 40 EDAB C[C@@](O)(CNc1cncc(Br)c1)CN1CCOCC1 96483040 ORJCCKDLWKNBID-CYBMUJFWSA-N 330.226 1.339 0 40 EDAB COC[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cncn2C1 96206464 FRYDUTDRBLAXHB-AWEZNQCLSA-N 343.383 1.459 0 40 EDAB CN(CC(=O)N1CCCCC1)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 583615030 JYSJLRMZJQNGRS-IRXDYDNUSA-N 349.454 1.333 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)N[C@@H](C)[C@@H]1CCOC1 583621108 KKRZOIMTRQXCGC-TXKWRHDYSA-N 336.436 1.591 0 40 EDAB COCc1cccc(CC(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)c1 583617798 STNZJMZGLWTCRZ-KRWDZBQOSA-N 330.388 1.004 0 40 EDAB CCN(CC(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1)C1CC1 583618916 HEDNGRSQKSWHQG-QGZVFWFLSA-N 335.452 1.153 0 40 EDAB Cc1cn2nc(N[C@H]3CCN(C(=O)Cc4cccs4)C3)ccc2n1 581024459 ONASRPPUOJEVPJ-ZDUSSCGKSA-N 341.440 2.355 0 40 EDAB O=C(Cc1ccsc1)NC[C@@H]1Cn2nnc(-c3ccoc3)c2CO1 96199206 GGOKRKOEVDRPMC-CYBMUJFWSA-N 344.396 1.857 0 40 EDAB Cn1cccc1CN1C[C@H](C(=O)N2CC=CC2)C2(CCOCC2)C1 96038486 YIRGTZBWBDKQTH-QGZVFWFLSA-N 329.444 1.652 0 40 EDAB CCN1CCO[C@@H]2CN(C(=O)COc3ccccc3OC)C[C@@H]2C1 96107968 XZVQYDVLDQYXQU-WMLDXEAASA-N 334.416 1.253 0 40 EDAB CO[C@H]1CCN(C(=O)c2ncccn2)[C@@H]2CN(Cc3ccco3)C[C@H]12 96109509 DYSPNQJUWSCPAR-XHSDSOJGSA-N 342.399 1.431 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2[C@H](CCN2Cc2ccco2)O1 96183706 QDDZYEZEWQZWOR-YESZJQIVSA-N 327.384 1.723 0 40 EDAB CN1C(=O)CO[C@H](C(=O)Nc2nccs2)[C@H]1c1ccc(F)cc1 96181786 QEBDOJCFIIJKGG-OLZOCXBDSA-N 335.360 1.819 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3ccnnc3)CC2)N1 96199723 QESIHUYQAVNAKN-HNNXBMFYSA-N 337.383 1.150 0 40 EDAB CCOC[C@H](O)CN1CCC(C(=O)N2CCc3ccccc32)CC1 96483274 OIFKFTRNICSTQP-QGZVFWFLSA-N 332.444 1.685 0 40 EDAB C[C@@H](CCO)NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 585114157 RZCQJBIKIKMWNC-QWHCGFSZSA-N 342.436 1.290 0 40 EDAB O=C(Nc1ccc(CN2CCOC2=O)cc1)c1csc(CO)n1 585135586 RJAIOEVWILNSQI-UHFFFAOYSA-N 333.369 1.840 0 40 EDAB Cn1ccc(CN2C[C@H]3OCC(=O)N(Cc4ccc(F)cc4)[C@@H]3C2)n1 257275934 NRPIIHFTMCXMHY-IAGOWNOFSA-N 344.390 1.171 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2c(C)noc2C)n1 257344647 ZYDWFDVNUWMPKK-OAHLLOKOSA-N 343.387 1.695 0 40 EDAB O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@](O)(CN2CCCC2)C1 257215667 CRDMKYKCQYQNGD-LJQANCHMSA-N 342.395 1.466 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 257236518 HCOBLUCJRZSFFS-HNNXBMFYSA-N 332.404 1.866 0 40 EDAB Cc1ccc(C[C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)cn1 257202126 AKOVSYHGQRBRBY-MRXNPFEDSA-N 339.461 1.222 0 40 EDAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@H](C)N1CCOC[C@H]1C 253369852 IWJLATUJWOCIEL-ZENOOKHLSA-N 349.479 1.982 0 40 EDAB CN1CCC(C(=O)N2C[C@@H](O)[C@H](N(C)Cc3ccc(F)cc3)C2)CC1 257212567 CDZFWRNJWPQPHE-QZTJIDSGSA-N 349.450 1.171 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CC[C@H](c3nc(C)cn3C)C2)ccn1 257236619 HCZQIXMKGKDWFP-AWEZNQCLSA-N 327.388 1.712 0 40 EDAB Cc1cc(OC(=O)[C@H](C)[C@H](O)[C@](C)(CO)C(=O)O)cc(C)c1Cl 253377636 XRWNNYSQAUNBGV-HICWGWBUSA-N 344.791 1.942 0 40 EDAB Cn1cc(CC(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)c2ccccc21 257333932 YDSBLGRKALUWEJ-HKUYNNGSSA-N 328.412 1.863 0 40 EDAB CCCNC(=O)Cc1c(C)nc([C@H]2CCN(C(=O)COC)C2)nc1C 257336550 YOYMGIALHCBAJF-AWEZNQCLSA-N 348.447 1.124 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)Cc1c(C)noc1C 257344500 ZXPKRBOEBMFLCK-OAHLLOKOSA-N 344.415 1.793 0 40 EDAB Cc1cnccc1CN1CC[C@@](C)(O)[C@H](n2cc(C)c(O)nc2=O)C1 257244711 IMLRGPZTEVYVTM-CRAIPNDOSA-N 344.415 1.159 0 40 EDAB O=C(Cc1ccsc1)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 257319255 VRNSEVMLFJCYLF-QGZVFWFLSA-N 349.431 1.972 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2C(=O)CC2CC2)c1 257206767 BEVOFPVJYUUOFG-KRWDZBQOSA-N 343.427 1.578 0 40 EDAB CN(C)Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)nc1 257269629 MQSSKPPSODHQPT-OAHLLOKOSA-N 335.433 1.392 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C[C@@H](C)O1 252507081 XRVWOVCXERNCHB-UTJXIGIESA-N 332.400 1.221 0 40 EDAB CCn1c(O)nc2cc(C(=O)N3CC[S@](=O)C[C@H](C)C3)ccc21 597563781 CUBCHLWXBQZHQB-BGJPBQGDSA-N 335.429 1.602 0 40 EDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)c1c(F)ccc2c1OCO2 1615003336 XCMACCVXHSBCJH-NSHDSACASA-N 344.346 1.743 0 40 EDAB CC1(C)OC[C@@H](NC(=O)NCC(F)(F)CO)[C@@H](c2ccccc2)O1 1615057017 OUPOVQOTJZDZHB-CHWSQXEVSA-N 344.358 1.806 0 40 EDAB Cn1nnc(CNC(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)C2)n1 1615570861 CDKYKQUVTOLVAM-QGZVFWFLSA-N 340.387 1.360 0 40 EDAB CN1CCC[C@]2(CCN(C(=O)c3ccc(-n4cncn4)c(F)c3)C2)C1 1615539885 SYZYDTOJANQQPG-SFHVURJKSA-N 343.406 1.964 0 40 EDAB COC(=O)C1(NC(=O)CCOc2ccc(C)c(C)c2)CC(CO)C1 1615614903 KPASHSMCLKMYOK-UHFFFAOYSA-N 335.400 1.503 0 40 EDAB Cc1ccc2ncccc2c1S(=O)(=O)N1CCC[C@@H]2C[C@@]21C(N)=O 1615604613 AZTSIFUONRHEFI-PXAZEXFGSA-N 345.424 1.572 0 40 EDAB Cc1nc(C)c(Br)c(N2CC(n3cc(CO)nn3)C2)n1 1615614984 LNMGIRSNABHBKV-UHFFFAOYSA-N 339.197 1.001 0 40 EDAB Cc1nocc1S(=O)(=O)N1CCc2nc(N(C)C)sc2C1 1616031518 NZQMUWJXJMLRDT-UHFFFAOYSA-N 328.419 1.253 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC(C)(CC(F)F)C2)C1 606444705 HQUCFFUUQAIYGQ-LLVKDONJSA-N 338.420 1.552 0 40 EDAB CO[C@@]1(CNC(=O)C(=O)Nc2ccc(F)cc2F)CCSC1 96097734 QYGPHTPPWNAQTK-CQSZACIVSA-N 330.356 1.542 0 40 EDAB COC(=O)c1sccc1NC(=O)c1ccc(-n2cncn2)nn1 96097892 QDXZOHBOSFAKHI-UHFFFAOYSA-N 330.329 1.158 0 40 EDAB Cn1nnc2c1C[C@H](C(=O)N[C@@H]1COc3ccc(F)cc3C1)CC2 290638317 MRJQQIZSNQPXBZ-MFKMUULPSA-N 330.363 1.179 0 40 EDAB Cn1ccc([C@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 390829687 FXUIAESVPODWMU-ZDUSSCGKSA-N 340.383 1.734 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 575406801 UDEYPYQNTIIPKM-INWMFGNUSA-N 342.399 1.722 0 40 EDAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2ccnc(OC)c2)C1 585277054 JNZNNWCSZDQLEC-QGZVFWFLSA-N 335.404 1.238 0 40 EDAB CN1CCC[C@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 585100503 LMMPIYONSLUNOC-IBGZPJMESA-N 329.444 1.893 0 40 EDAB CC(=O)N1CCC(N2CC[C@@](O)(COc3ccccc3C)C2)CC1 585276983 RAXSARKSQITVHX-IBGZPJMESA-N 332.444 1.822 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccc(F)cc1)[C@H]2C 585097641 ONEUFUSETSGEMK-NSHDSACASA-N 334.351 1.546 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccccc1C)[C@@H](C)C2 585098258 SQEYHKSXYPBZSY-AWEZNQCLSA-N 344.415 1.585 0 40 EDAB CN1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)C3CC(O)C3)C2)C1=O 585106927 LJYHJJULJKRRIB-FCJNSDPXSA-N 328.412 1.232 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2cncn2[C@H](C(=O)NCc2ccco2)C1 585096033 NPHMIGNOBJKGBF-DFBGVHRSSA-N 328.372 1.332 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)Cc3ccc(C)cc3)CC2)n1 598970510 SYPHNMNTPFNGQZ-UHFFFAOYSA-N 340.427 1.993 0 40 EDAB Cc1ccc(NC(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 73350627 QZRNUEGRAGKENL-INIZCTEOSA-N 345.443 1.504 0 40 EDAB O=S(=O)(NC[C@H]1CCCCN1)c1ccccc1Br 44492896 HZOWIASOAJMTAP-SNVBAGLBSA-N 333.251 1.870 0 40 EDAB O=C([C@@H]1CCOC1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1776008021 SWQZDIIKQMHOFF-CQSZACIVSA-N 325.368 1.330 0 40 EDAB CC(C)C(=O)N1CCC[C@@H](C(=O)NCCc2cn3ccccc3n2)C1 40508750 UZTQOWBQIVBWEM-OAHLLOKOSA-N 342.443 1.888 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(C(N)=O)ccc1OC 62399332 CEODBNQAGOARHA-UWVGGRQHSA-N 336.392 1.219 0 40 EDAB CCCNC(=O)c1cccc(C(=O)N2CC[S@@](=O)[C@H](C)[C@@H]2C)c1 78122591 FTGDTRIWGHBIHI-BTELXILVSA-N 336.457 1.808 0 40 EDAB OCCN1CCN(CCCCNc2ncc(Cl)cc2F)CC1 79306044 XUYXFVCMSMAWAH-UHFFFAOYSA-N 330.835 1.676 0 40 EDAB CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ncccn1)C[C@@H]2CO 575444812 ROHQKTVQPAZBOK-CQSZACIVSA-N 348.447 1.922 0 40 EDAB CC(=O)N1CCCN(c2ncccn2)CCNCc2ccccc21 1615125830 IDYJIKWIKQVYHY-UHFFFAOYSA-N 325.416 1.829 0 40 EDAB COc1ccc(/C=C/C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 6127542 PHUUBZYLLPLKKU-IZZDOVSWSA-N 346.408 1.672 0 40 EDAB CSc1c(C(=O)N2CCOCC2)c(N)nn1C(=O)c1ccccc1 5919124 FCBPSYUBKSJKAH-UHFFFAOYSA-N 346.412 1.348 0 40 EDAB CCc1nnc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)s1 11690511 SOPABWDNMNOLGL-UHFFFAOYSA-N 333.352 1.655 0 40 EDAB O=C(Cn1nc(-c2cccnc2)oc1=O)N1CCCc2ccccc21 12115862 VALFGMOKJLDDPZ-UHFFFAOYSA-N 336.351 1.878 0 40 EDAB CN(C)CCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 13648137 BIBXEQSXIJSBML-UHFFFAOYSA-N 347.868 1.174 0 40 EDAB Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)c1ccc(F)cc1 19286329 DWLJEICUASVENO-KGLIPLIRSA-N 327.359 1.989 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(CC)C(=O)[C@H]21 19526787 ZMQYZPMMYXYTHK-XMDUPGNXSA-N 344.411 1.582 0 40 EDAB Cc1noc(C)c1C(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19579822 XQXXTBNKVZCCEQ-CYBMUJFWSA-N 341.415 1.699 0 40 EDAB CCc1ccc(S(=O)(=O)N[C@@H](Cn2nccn2)C(C)C)s1 238870303 MSVNDUPCPIRGND-LBPRGKRZSA-N 328.463 1.905 0 40 EDAB O=c1nc(-c2ccncc2)[nH]c2c1CCN(CC1=COCCO1)C2 19405428 NGFHKJBAGZSZGV-UHFFFAOYSA-N 326.356 1.078 0 40 EDAB CC(C)C(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23134376 XDYQEOZLWLDOJS-UHFFFAOYSA-N 332.383 1.102 0 40 EDAB Cn1cccc1C(=O)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 371246110 ASWYETKMMBCHFT-SECBINFHSA-N 327.310 1.671 0 40 EDAB CCc1ncnc(O[C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)c1F 390828617 SFVZSVGXUYBUQC-LBPRGKRZSA-N 347.394 1.822 0 40 EDAB CN(c1ccccn1)C1CCN(S(=O)(=O)c2cn(C)cn2)CC1 1889148852 UOPAXNIRYQCETF-UHFFFAOYSA-N 335.433 1.105 0 40 EDAB Cc1cc(CN2CCN([C@H](C(=O)N(C)C)c3ccccc3)CC2)on1 22254405 BWDRYRGDDTVTQJ-SFHVURJKSA-N 342.443 1.930 0 40 EDAB CC(C)N(C)CC(=O)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1 1565551303 OIXJGGRSGCWJAW-VQIMIIECSA-N 346.475 1.984 0 40 EDAB CC[C@@H](C)CNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713879 VJSRGJMVZRZKLV-KGLIPLIRSA-N 348.447 1.080 0 40 EDAB Cn1c(O)nc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1=O 1775976346 YXGCMWGNAMQYRJ-GJZGRUSLSA-N 326.400 1.054 0 40 EDAB Cc1cc(OC2CN(C(=O)c3cc(C)oc3C)C2)n2ncnc2n1 618255427 CNXFTTLQDNCWPO-UHFFFAOYSA-N 327.344 1.546 0 40 EDAB C[C@@H]1C(=O)N(CC(=O)NCC(F)(F)F)C(=O)N1c1ccccc1 21931648 LDBPJJKJVXJTHI-SECBINFHSA-N 329.278 1.522 0 40 EDAB CCCc1noc(CS(=O)(=O)CC(=O)Nc2ccc(C)cc2)n1 40106353 NQMOXRVORFSUQP-UHFFFAOYSA-N 337.401 1.884 0 40 EDAB COc1ccc(CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1F 40477295 ZABVGKCKZFQNCU-SNVBAGLBSA-N 334.399 1.861 0 40 EDAB O=C(CS(=O)(=O)C[C@@H]1CCCO1)NCCc1ccc(F)cc1 40498852 QBRXQVXEMQRTSR-AWEZNQCLSA-N 329.393 1.078 0 40 EDAB CN(C(=O)CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 40490007 RTAMQLCRBGFKAG-ZDUSSCGKSA-N 329.393 1.630 0 40 EDAB COc1cc(C(=O)N2CCOC[C@H]2C)cc(Cl)c1OCC(N)=O 40509696 FGSBSXMUYPIAMR-SECBINFHSA-N 342.779 1.074 0 40 EDAB CN([C@H]1CCCc2ccccc21)S(=O)(=O)N1CCN(C=O)CC1 40555890 MEWUKGUWTJRBNH-INIZCTEOSA-N 337.445 1.015 0 40 EDAB COc1ccc(CNc2nc(NCCO)c3nccnc3n2)cc1 32074105 YWJMYJWNWWSBLA-UHFFFAOYSA-N 326.360 1.445 0 40 EDAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1nncs1 20628593 VWNFLOAACZFTGZ-UHFFFAOYSA-N 346.821 1.499 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1CCC(=O)N1CCc2ccccc21 32870848 HWMIVYZUSAQHSN-LJQANCHMSA-N 349.434 1.878 0 40 EDAB CCN(C(=O)[C@@H](C)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 52770973 VDGANVPOAPIUDS-RISCZKNCSA-N 328.409 1.662 0 40 EDAB CC(C)[C@@H](CNC(=O)c1cccnc1N1CCCC1)N1CCOCC1 42028652 QKBLTNYGDGVLPX-QGZVFWFLSA-N 346.475 1.768 0 40 EDAB CC(C)CCn1[nH]cc/c1=N\C(=O)CN1C(=O)c2ccccc2C1=O 104915671 RXCNFSDWMVKMAY-HMMYKYKNSA-N 340.383 1.586 0 40 EDAB C[C@@H]1CN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 23991071 YXZWUOPZWYXYAE-WWRWRHIGSA-N 349.475 1.890 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)C2)n1 54703330 NYKSQCAFBYJNJL-ZIAGYGMSSA-N 332.404 1.343 0 40 EDAB O=C(CSCC(=O)N1CCC[C@H]2CCCC[C@@H]21)N1CCOCC1 43010302 ANZCPGQZTFOMSE-CABCVRRESA-N 340.489 1.760 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)OCc2coc(-c3ccccc3)n2)o1 47879987 CFWYTGSRXKNFJH-UHFFFAOYSA-N 348.336 1.939 0 40 EDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccccc1)C2=O 3252907 CHUPIQHCIFVSTA-UHFFFAOYSA-N 343.427 1.846 0 40 EDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 153830 RXWNRMINQFDXKQ-ZDUSSCGKSA-N 339.413 1.585 0 40 EDAB O=C(OCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 106031595 RRLWXYIEHSRYFB-SOUVJXGZSA-N 344.415 1.105 0 40 EDAB Cn1nc(C(F)(F)F)c(CN2CC(C)(C)C2=O)c1N1CCOCC1 1399533 GFJKPQMXELBNIV-UHFFFAOYSA-N 346.353 1.644 0 40 EDAB Cc1nc([C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CCO2)n[nH]1 78894255 WDGSUSPSNNOSJY-OAHLLOKOSA-N 329.404 1.388 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@@H]1C1CCCC1 56034143 AXIKZKBZRZKCDG-MRXNPFEDSA-N 326.400 1.973 0 40 EDAB O=C(NCc1cc[nH]n1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107362601 XJRHGPFZFJNZDB-IAGOWNOFSA-N 341.415 1.205 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CSCN1C(=O)[C@H]1C[C@@H]1c1ccco1 108069673 CTTVQGZAZQYTLF-GUBZILKMSA-N 348.346 1.963 0 40 EDAB C[C@H](CN1CCOCC1)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 108161570 KQKDIKKLWSDVLH-HUUCEWRRSA-N 327.469 1.648 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccncc2)cc1 6546548 UGKKDEBGNMNUSD-ZDUSSCGKSA-N 333.413 1.373 0 40 EDAB COc1cc(C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCC(N)=O 58017403 WJISPYGPQJBITK-SNVBAGLBSA-N 342.779 1.122 0 40 EDAB CN(C)C(=O)N[C@@H]1CCOC2(CCN(Cc3ccncc3)CC2)C1 108528701 XLYKSLVPTRRXFW-MRXNPFEDSA-N 332.448 1.866 0 40 EDAB NC(=O)[C@@H](OC(=O)Cc1ccc2c(c1)OCCO2)c1ccccc1 10125482 AKZLBQAUEJCXOV-KRWDZBQOSA-N 327.336 1.770 0 40 EDAB COc1cccc(N2CCN(C(=O)NCCCn3ccnc3)CC2)c1 44891152 RFBXBZDUOWVGCG-UHFFFAOYSA-N 343.431 1.814 0 40 EDAB C[C@H](C(=O)N1CCOCC1)N(C)CCOc1ccccc1Cl 44874306 PGFAFJINUPJCEU-CYBMUJFWSA-N 326.824 1.898 0 40 EDAB CC(=O)N[C@H](C(=O)Nc1nc(CN2CCOCC2)cs1)C(C)C 44895417 BVCSFBDNLBOCRL-ZDUSSCGKSA-N 340.449 1.075 0 40 EDAB C[C@H]1CN(CCNC(=O)[C@@H](c2ccccc2)n2cccn2)C[C@@H](C)O1 58202194 CGOQBBYPILPGOP-SOLBZPMBSA-N 342.443 1.698 0 40 EDAB CC(C)Oc1ncc(C(=O)NC[C@@H]2CN(C)CCO2)cc1Cl 58265597 JBPVNLQERJXTOX-GFCCVEGCSA-N 327.812 1.583 0 40 EDAB CC[C@@H](C)NC(=O)CCNC(=O)C[C@H]1Sc2ccccc2NC1=O 58230325 BXPDWVYHHPRTQK-BXUZGUMPSA-N 349.456 1.911 0 40 EDAB CC(C)N(C)S(=O)(=O)NC[C@@H](c1ccccc1)N1CCOCC1 44937313 VOFXNTCMIGBBSH-INIZCTEOSA-N 341.477 1.235 0 40 EDAB O=C(CS(=O)(=O)Cc1coc(-c2ccccc2)n1)N1CCCC1 44954091 POFQGUPYASCGMB-UHFFFAOYSA-N 334.397 1.879 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1csc(-c2cnn(C)c2)n1 44952632 VONAAVRPKHCJOM-GFCCVEGCSA-N 333.417 1.236 0 40 EDAB COC[C@H](C)NC(=O)CSc1nc(C)c(C)n1C[C@H]1CCCO1 36633662 MCHDLEZVBGZFTI-SMDDNHRTSA-N 341.477 1.922 0 40 EDAB C[C@@H](NC(=O)NCc1cccnc1N1CCOCC1)[C@@H]1CCCO1 45682329 JIHVBTTZERLQEY-HIFRSBDPSA-N 334.420 1.285 0 40 EDAB CCN1C[C@H](C(=O)N[C@@H](c2ccccc2F)c2nccn2C)CC1=O 28983199 JAIIWMPZENHUQJ-WBMJQRKESA-N 344.390 1.633 0 40 EDAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(F)cc1 3374427 PXKKROASACKWOP-LBPRGKRZSA-N 337.376 1.485 0 40 EDAB O=C(C[C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 46785246 OAMKOXABEOTZHO-MRXNPFEDSA-N 346.427 1.671 0 40 EDAB Cc1c(C(=O)NCCOc2ccc(C(F)(F)F)cn2)cnn1C 95415632 ZSJCPOVCZCOKLF-UHFFFAOYSA-N 328.294 1.951 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)N1CCN(CC(F)F)CC1 61771572 OHHNUUQDRHRDMA-UHFFFAOYSA-N 342.346 1.209 0 40 EDAB CS(=O)(=O)Nc1cc(NC(=O)c2ccc[nH]c2=O)ccc1F 12736476 YEXHUCRPRKJKNU-UHFFFAOYSA-N 325.321 1.138 0 40 EDAB COc1ccccc1CC(=O)NCCS(=O)(=O)Cc1ccccc1 48253578 BSKVVFPXQBATQS-UHFFFAOYSA-N 347.436 1.969 0 40 EDAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NC1CCCC1 22251459 UOETWDXDQPIYKX-UHFFFAOYSA-N 326.418 1.763 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 48431396 YNPMLDDVUNOYGL-HZPDHXFCSA-N 329.404 1.342 0 40 EDAB CN(Cc1ccccc1)C(=O)CNC(=O)c1ccc2c(c1)OCO2 12972119 OLLCRNNEGMNXMK-UHFFFAOYSA-N 326.352 1.804 0 40 EDAB CCOC(=O)[C@@H]1COCC2(CCN(C(=O)OC(C)(C)C)CC2)N1 306145272 AEZZXLZSYPTPQX-LBPRGKRZSA-N 328.409 1.308 0 40 EDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccn1 6112623 UPIZRLMEQRMBPW-UHFFFAOYSA-N 335.385 1.593 0 40 EDAB O=C(CN1CCN(c2nccc3occc23)CC1)Nc1nncs1 96499944 XXSXZJDMSWKRHV-UHFFFAOYSA-N 344.400 1.440 0 40 EDAB COc1ccccc1[C@@H](CNS(=O)(=O)N(C)C(C)C)N(C)C 65494375 XDPGGKCOOYMBDT-CQSZACIVSA-N 329.466 1.473 0 40 EDAB COC(=O)c1ncn(CN2CCN(Cc3cccc(C)c3)CC2)n1 65477338 YRCZGKRDDLLPDB-UHFFFAOYSA-N 329.404 1.148 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(C)C)cc1 4668558 CKLUUQAWEMUVLF-ZDUSSCGKSA-N 328.390 1.423 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@H](n3ccnc3CC)C2)ccc1=O 71870667 IJFGGKKEJWSYPF-AWEZNQCLSA-N 343.431 1.890 0 40 EDAB C[C@H]1NC(=S)N([C@@H](Cc2ccccc2)C(=O)N2CCCC2)C1=O 69420246 YOBGSVFXURFXNL-OCCSQVGLSA-N 331.441 1.325 0 40 EDAB CN(C(=O)CCN1CCSC1=O)[C@@H]1CCN(c2ccccc2)C1=O 71890958 LJDOJOFPOSCXLP-CQSZACIVSA-N 347.440 1.809 0 40 EDAB O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(=O)[nH]c1 71832908 GWJDLKQKZYNRBB-LBPRGKRZSA-N 326.274 1.857 0 40 EDAB CC(C)(C)C(=O)N1CCCN(c2ncnc3nc(N)ccc23)CC1 90089631 LMIUYWIDPCNNII-UHFFFAOYSA-N 328.420 1.692 0 40 EDAB CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCOCC1 71900111 CEUIUTFXPSPKHW-HNNXBMFYSA-N 336.457 1.326 0 40 EDAB Cc1c[nH]c(CN2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1 67934600 BSMPDBNQSJMARS-CQSZACIVSA-N 338.415 1.972 0 40 EDAB COc1cc(F)ccc1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 96817101 YGNSUNXVODPLIX-RYUDHWBXSA-N 334.347 1.948 0 40 EDAB Cn1c(N)c(-c2csc(-c3cccc(F)c3)n2)c(=O)n(C)c1=O 9835617 HAONWSHHKZYAPP-UHFFFAOYSA-N 332.360 1.596 0 40 EDAB C[C@@H](C(=O)NC1CCCC1)N(C)Cc1nc2ccccc2c(=O)[nH]1 16555386 GXVKJMOBASTRSW-LBPRGKRZSA-N 328.416 1.802 0 40 EDAB CCn1cc(CN2CCn3cc(C(=O)NC(C)C)nc3[C@@H]2C)cn1 306126331 DSVUNXXLFXEZPG-ZDUSSCGKSA-N 330.436 1.815 0 40 EDAB CC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)O 8316058 REYIJKFOYHUVPX-CYBMUJFWSA-N 342.417 1.166 0 40 EDAB COc1ccc([C@H](NC(=O)CNC[C@@H]2CN(C)CCO2)C(C)C)cc1 69652972 WZYPWLCEOKXSOQ-IEBWSBKVSA-N 349.475 1.429 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)ccc1F 69716996 LUMHZDFPPKJBLH-XPTSAGLGSA-N 334.355 1.799 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2nnc(C3CC3)o2)C1 84281326 OMTXAOIQPZPHIN-ZDUSSCGKSA-N 346.391 1.261 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1 69845846 MBZQKKSZKLHMGB-LBPRGKRZSA-N 331.434 1.146 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H]3c3cnn(C)c3)nc2n1 69849077 BYLNNHNKVWTUCC-ZDUSSCGKSA-N 325.376 1.452 0 40 EDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCc1ccccc1F 69920013 ZVFXIBHMNQFTLH-CQSZACIVSA-N 331.395 1.446 0 40 EDAB CCC(CC)(CNC(=O)OC(C)(C)C)NCC(=O)NC(=O)NC 69951822 QNIBSRUKTKSTAJ-UHFFFAOYSA-N 330.429 1.115 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N[C@H]1CCc2ccccc2C1 70753269 VGUALXASQZZDKC-HNNXBMFYSA-N 349.390 1.364 0 40 EDAB CCS(=O)(=O)CCNCc1cc(Br)cc2c1OCC2 97141549 HVCRKXPLOJPEAM-UHFFFAOYSA-N 348.262 1.908 0 40 EDAB CC(C)Cc1ccc([C@@]2(C)NC(=O)N(Cc3ncnn3C)C2=O)cc1 72302569 NWKTVKJYXNZIDV-GOSISDBHSA-N 341.415 1.981 0 40 EDAB CC(C)c1nc([C@H]2CCCN(c3nc4c(cnn4C)c(=O)[nH]3)C2)no1 72300262 XEUIGVWMTOBKHV-JTQLQIEISA-N 343.391 1.547 0 40 EDAB O=C(NCCCN1CCOCC1)c1ccc(-c2ccccc2)[nH]c1=O 72451325 WSHYQBCNRBWQGW-UHFFFAOYSA-N 341.411 1.494 0 40 EDAB CCCc1noc([C@H](C)N[C@H]2CCN(S(C)(=O)=O)C[C@@H]2CC)n1 89960498 UCGCSPRSOXKQTG-AVGNSLFASA-N 344.481 1.733 0 40 EDAB C[C@@](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)(C(=O)O)c1ccccc1 89905423 VVELQPHPXNERJX-ACJLOTCBSA-N 330.384 1.361 0 40 EDAB C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1nnc2n1CCCC2 89913850 HYIMCBXHPADEHX-NXEZZACHSA-N 331.342 1.428 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)C2)n1 75602702 VAIIRNGQQOGTNI-HZPDHXFCSA-N 345.447 1.317 0 40 EDAB CC(C)[C@H](NC1CCOCC1)C(=O)Nc1ccc2oc(=O)n(C)c2c1 76083147 FVEYMHQZUHPBOA-INIZCTEOSA-N 347.415 1.863 0 40 EDAB CC(C)NC(=O)c1nsc(C(=O)NCc2ccc(F)cc2)c1N 62006808 GZUAYJMCJVTMQX-UHFFFAOYSA-N 336.392 1.933 0 40 EDAB CCOCCCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O 409367083 DOKIIQITNXUSJL-UHFFFAOYSA-N 342.461 1.034 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)NCCCn2cccnc2=O)cc1 1561703100 QXMBEALCTSMGBD-UHFFFAOYSA-N 349.456 1.909 0 40 EDAB CNC(=O)CSCc1nnnn1-c1ccccc1Br 69166494 QVRBOAVDAUSZBK-UHFFFAOYSA-N 342.222 1.404 0 40 EDAB O=C1C[C@H](Oc2ccccc2NS(=O)(=O)N2CCCCC2)N1 516860695 ULZOEFGYUIPFFY-AWEZNQCLSA-N 325.390 1.054 0 40 EDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCc1ccccn1 524734822 BEPPTEIIZWHPHW-UHFFFAOYSA-N 328.420 1.768 0 40 EDAB CCc1ccc(OCC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc1 78986943 YEBKXPXREJKLCO-ZDUSSCGKSA-N 344.333 1.907 0 40 EDAB O=C(NS(=O)(=O)c1cnccn1)C1(c2ccc(F)cc2)CCC1 152479385 JOJQKFSSUOQNKC-UHFFFAOYSA-N 335.360 1.543 0 40 EDAB CN(C)c1cc(C[C@@H]2COCCN(C(=O)c3cscn3)C2)ncn1 72388322 DLUHTWXHCHQKSI-LBPRGKRZSA-N 347.444 1.330 0 40 EDAB CC(C)n1cc(Br)cc1C(=O)N1CCO[C@H](C(N)=O)C1 79837013 XPDIOMJAVPZVGE-NSHDSACASA-N 344.209 1.158 0 40 EDAB C[C@H](c1ccccc1)N1Cc2nc(N3CCN(C)CC3)ncc2C1=O 46087095 MGJNODKKQBFCGG-CQSZACIVSA-N 337.427 1.945 0 40 EDAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N1CCC(C(N)=O)CC1 225795821 SEJFTUZHCKYWLC-UHFFFAOYSA-N 342.374 1.929 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)s1 224076259 CPBVWJRXOQYWNM-DJLDLDEBSA-N 330.435 1.354 0 40 EDAB CN(C(=O)CCn1cc(S(N)(=O)=O)cn1)C1CCCCCCC1 69373488 WREHWXNLEYMFGJ-UHFFFAOYSA-N 342.465 1.492 0 40 EDAB CS(=O)(=O)N[C@H](CC(=O)N1CCCCC1)c1ccc(F)cc1 225947000 XJPQARUWIPEHJY-CQSZACIVSA-N 328.409 1.819 0 40 EDAB O=C(CN1C(=O)c2ccccc2CS1(=O)=O)NC(C1CC1)C1CC1 69419241 ISRZGCFPUIFILP-UHFFFAOYSA-N 348.424 1.277 0 40 EDAB Cc1nc2c(c(N3CCC[C@H]3c3nc(C(N)=O)no3)n1)CCCC2 195571413 SHDURBZDNGAEIL-LBPRGKRZSA-N 328.376 1.487 0 40 EDAB CN1CCCC[C@H]1CN1CCN(C(=O)Cc2ccc(F)cc2)CC1 69517208 JTAFEMQOZADACL-SFHVURJKSA-N 333.451 1.997 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H](Oc2cccnn2)C1 225454133 CKBCKFWMCGLFDI-CZUORRHYSA-N 341.367 1.686 0 40 EDAB CCCc1noc2ncc(C(=O)N3CCn4c(CC)nnc4C3)cc12 69511095 XQULHHWYMWDJAT-UHFFFAOYSA-N 340.387 1.985 0 40 EDAB COc1ccc(OC[C@@H](O)CN2CCC[C@@H]2Cn2cncn2)cc1 69696886 COXSEKZMBMAZJX-CABCVRRESA-N 332.404 1.191 0 40 EDAB Cc1nc(CN2CCC[C@@H](NCc3nc(-c4ccoc4)no3)C2)no1 69661294 SFXJNHBJCHGSLO-CYBMUJFWSA-N 344.375 1.775 0 40 EDAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCCC2)c1=O 44839910 GGGGDSPURMOVEQ-ZDUSSCGKSA-N 329.400 1.757 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2ccc(C)nc2)c1 576282469 JNAGRJLEDDVYOS-UHFFFAOYSA-N 333.413 1.924 0 40 EDAB CCn1nc(C)c2c1cnn2CC(=O)NCc1nc2ccccc2[nH]1 41123910 LKCRXAJREPRNAY-UHFFFAOYSA-N 337.387 1.754 0 40 EDAB CN(Cc1nnc(Cc2ccccc2)o1)CC1CCN(CCO)CC1 69973224 GIUDSXGWXQLIAO-UHFFFAOYSA-N 344.459 1.797 0 40 EDAB O=C1CCCN1Cc1cn(C2CN(C(=O)c3ccccc3F)C2)nn1 225630191 ROXITHMBWOGIIG-UHFFFAOYSA-N 343.362 1.237 0 40 EDAB Cc1ccc([C@H](C)N[C@@H]2CCCN(CCN3CCOCC3)C2=O)o1 195557268 MXTWLAGJFWIXBT-JKSUJKDBSA-N 335.448 1.562 0 40 EDAB Cc1cnc(C(=O)N2CCc3c(COCC4CC4)nn(C)c3C2)cn1 96085011 CCSZWWPRZOZZLC-UHFFFAOYSA-N 341.415 1.644 0 40 EDAB C[C@@H](C(=O)N1CCCN(C2CCOCC2)CC1)N1CCCCCC1 96437088 DZTIYQJGAKMYJT-KRWDZBQOSA-N 337.508 1.964 0 40 EDAB CCO[C@@H]1C[C@H](N(C)c2nc3c(cnn3C)c(=O)[nH]2)C12CCCC2 96453730 JYLLKRJDBYWWIA-QWHCGFSZSA-N 331.420 1.831 0 40 EDAB O=C1C[C@@H](Cc2ccc(C(=O)NC[C@H]3Cc4ccccc43)cc2)C(=O)N1 96436169 XRSMFIKOCVBQPN-IAGOWNOFSA-N 348.402 1.962 0 40 EDAB Cc1cnc(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)s1 96439302 BUFMNTGSFLAWOG-LBPRGKRZSA-N 332.433 1.710 0 40 EDAB CC(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1 96296400 WQSFASXACQQXJF-ZDUSSCGKSA-N 329.356 1.356 0 40 EDAB biogenic,in-vitro O=C(c1ccsc1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124294 LWXYTPBAQFUFKV-UHFFFAOYSA-N 341.400 1.081 0 40 EDAB Cc1nc(N[C@@H](c2nccn2C)C2CCOCC2)c2cnn(C)c2n1 583617575 ZTSDGJACDKWMMV-CQSZACIVSA-N 341.419 1.985 0 40 EDAB CN1CC[C@@H](CNC(=O)NCC[C@H]2CCCO2)[C@@H]1c1cccnc1 583623191 WYEMLAUXPDNEHV-BBWFWOEESA-N 332.448 1.943 0 40 EDAB Cc1ccoc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2c1cnn(C)c1 96186503 LCRULHLNKXOWFZ-KBPBESRZSA-N 328.372 1.732 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCN(C)C1=O)c1ccc(-n2cccn2)cc1 96440694 BUDZOPIQLBGWBW-WFASDCNBSA-N 327.388 1.463 0 40 EDAB Cc1nc(C)n(C[C@@H]2CC[C@]3(COCCN(c4ncccn4)C3)O2)n1 96100468 DAEGBTZNKNZTTR-RDJZCZTQSA-N 344.419 1.140 0 40 EDAB COC(=O)CC1CCN(C(=O)[C@H]2COc3ccc(O)cc3O2)CC1 585089409 LBQVZUQNVDMOJQ-OAHLLOKOSA-N 335.356 1.334 0 40 EDAB CC(C)(C)n1cnc(C(=O)NCCNc2ncnc3sccc23)n1 585085261 CKNVPXPFSODEKP-UHFFFAOYSA-N 345.432 1.880 0 40 EDAB O=C(c1ncccn1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 247867742 PHUXZOMYXXGYQF-AWEZNQCLSA-N 340.383 1.572 0 40 EDAB Cc1noc([C@H]2CN(C(=O)c3c(Cl)ccnc3C)CCN2C)n1 585126221 SRVHPJLORZMHAF-GFCCVEGCSA-N 335.795 1.864 0 40 EDAB Cc1cc(CNC(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)no1 585121207 IMROBQORKORFMP-AAEUAGOBSA-N 341.408 1.463 0 40 EDAB Cc1ccc([C@H]2COCCN2C(=O)NCCN=S(C)(C)=O)o1 585137224 MUACFBUEGJXNLG-GFCCVEGCSA-N 329.422 1.399 0 40 EDAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2cn(C)nc2C)nc1 257250723 JNUMQZLCFRSFRD-KRWDZBQOSA-N 341.415 1.737 0 40 EDAB CCn1nccc1-c1cc(C)nc([C@@H]2CCCN2S(C)(=O)=O)n1 257273401 NGLCIVVGIDPZRN-AWEZNQCLSA-N 335.433 1.765 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCCC[C@H]1n1cccn1)C(=O)NCCF 252497476 QJBFVSKLPWSYSZ-RWMBFGLXSA-N 325.388 1.140 0 40 EDAB COc1nc(OC)nc(N2CCC[C@H]2c2ccc(CN(C)C)cn2)n1 257335023 YIJJTNINRWCRCM-AWEZNQCLSA-N 344.419 1.687 0 40 EDAB Cc1cc(N2CC[C@](O)(CNC(=O)Cc3cccs3)C2)ncn1 257286287 PLAPIZVCCFEJLV-INIZCTEOSA-N 332.429 1.147 0 40 EDAB CCC(=O)N1CCC[C@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1 257270552 MURYAJQDNADWBI-LBPRGKRZSA-N 329.404 1.547 0 40 EDAB O=C(c1ccoc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 27581267 RNKGBMWKOAZUBX-UHFFFAOYSA-N 338.371 1.213 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cc2cccc(F)c2)nc1 257337767 YUGVNRAMJZFROV-MRXNPFEDSA-N 348.399 1.728 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)c3ccccc3OC)CC2)OC[C@]1(C)O 257326060 WVQFMLMGVLJACK-WMZOPIPTSA-N 348.443 1.429 0 40 EDAB CN1C(=O)CO[C@@H]2CCN(Cc3ccc(N4CCCC4=O)cc3)C[C@@H]21 257217763 DAMQDAMATSVSQP-DLBZAZTESA-N 343.427 1.245 0 40 EDAB CCCn1nccc1-c1cncc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257256134 KKFSNAMTNCBQIB-CYBMUJFWSA-N 349.460 1.889 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@@H](CCc3ccncn3)C2)on1 257253214 JXZOJGUZHPUENK-HNNXBMFYSA-N 346.387 1.266 0 40 EDAB COc1ccccc1[C@H]1CN(S(=O)(=O)c2cn[nH]c2)CCN1C 257330699 XPNQEYOFKLCGPW-CQSZACIVSA-N 336.417 1.096 0 40 EDAB CCCn1nccc1-c1cc(C[C@@H]2CCN(S(C)(=O)=O)C2)ncn1 257272714 NDMUWTSSEAKPCJ-ZDUSSCGKSA-N 349.460 1.574 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 257307121 SXHRALDPPUPHRJ-OAHLLOKOSA-N 347.346 1.609 0 40 EDAB Cc1cc(C(=O)Nc2nc(C(=O)Nc3nnc(C)s3)co2)no1 90583049 UUZQQDCEMHXAPZ-UHFFFAOYSA-N 334.317 1.636 0 40 EDAB CCOc1ccccc1NC(=O)C(=O)NC[C@@]1(OC)CCSC1 96103351 PUYXSIXRGSOXOR-INIZCTEOSA-N 338.429 1.662 0 40 EDAB COc1ccc2c(CC(=O)N3CCO[C@@]4(CCNC4)C3)coc2c1 1616036732 WIOIHBGOLIQWCE-GOSISDBHSA-N 330.384 1.575 0 40 EDAB O=C(NCC(=O)N1CC[C@@H](OCC2CC2)C1)OCc1ccccc1 390829803 GSHYWMYRBJZATE-MRXNPFEDSA-N 332.400 1.940 0 40 EDAB Cc1nc(C)c(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)s1 390830309 KCHXUXUFAMMECB-NSHDSACASA-N 343.416 1.206 0 40 EDAB COC1(OC)CCN(C(=O)c2cc(SC)ccc2C)C[C@H]1O 585141745 ZVGCCBWSJZPHGJ-CQSZACIVSA-N 325.430 1.913 0 40 EDAB Cn1cc(/C=C/C(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)cn1 585289470 HNLOYXREFYRQJD-IHHMQQGQSA-N 341.411 1.266 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)c1cccc2cccnc12 585279030 RZVZFZHQGAVKQI-GOSISDBHSA-N 327.384 1.731 0 40 EDAB O=C(COc1ncccn1)N1CC[C@@](O)(COc2cccc(F)c2)C1 585277425 UMHGJQMMEJTZNZ-KRWDZBQOSA-N 347.346 1.037 0 40 EDAB Cc1snnc1C(=O)N1CC[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 585108251 FDGPHZPKNHCCOV-ZIAGYGMSSA-N 336.461 1.419 0 40 EDAB Cc1cccc(COC[C@H]2CN(C)C3(C2)CN(Cc2cn[nH]c2)C3)n1 585093755 CHVKNRKXJVZCAW-MRXNPFEDSA-N 341.459 1.836 0 40 EDAB CCc1nc(CN(C)[C@@H]2CCN(Cc3ccn(C)c(=O)c3)C2)no1 72300011 ICDIVOKZMLJMKR-CQSZACIVSA-N 331.420 1.037 0 40 EDAB CCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2 75157914 SNHIIRLULUKLPZ-UHFFFAOYSA-N 331.419 1.562 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)N(C)C[C@@H]1COc2ccccc2O1 46480227 PPDQQAWGKCGRLF-HUUCEWRRSA-N 349.431 1.189 0 40 EDAB C[C@@H](O)CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 78597066 OZMPFKAVLLAJHL-RNFRBKRXSA-N 335.223 1.126 0 40 EDAB C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)N2CCCCC2)C1=O 58180252 ATPADICIXMTNMX-QGZVFWFLSA-N 333.363 1.605 0 40 EDAB CC(C)(C)n1nc(C2CC2)cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 40540225 YOLIRKOWYCXZJW-LLVKDONJSA-N 325.434 1.432 0 40 EDAB Cc1cccc(C)c1-n1nnnc1C[S@@](=O)CCC(=O)NC(C)C 83954621 WAMQNFSGEHAGAK-XMMPIXPASA-N 349.460 1.443 0 40 EDAB O=C(OCCn1cc(Br)ccc1=O)C1=COCCC1 97034401 KEGZAIXHUDXIFH-UHFFFAOYSA-N 328.162 1.848 0 40 EDAB C[C@@](O)(CNC(=O)c1cc(N2CCCCC2)ncn1)C(F)(F)F 521395354 QUWSFXPJOWHKTQ-CYBMUJFWSA-N 332.326 1.510 0 40 EDAB Cc1nc(N2CCN(C=O)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 5274320 GTPIGVPHGRUXQQ-ZDUSSCGKSA-N 340.383 1.569 0 40 EDAB Cc1cc(Nc2ccccc2)nc(SC[C@H](O)COCCO)n1 5739955 UAOOZYSDTXPTOJ-CQSZACIVSA-N 335.429 1.991 0 40 EDAB CN(C)CCCNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O 12413935 ZDVCMGBZLDIKGL-UHFFFAOYSA-N 335.813 1.049 0 40 EDAB O=C(NCCc1cccs1)c1ccc(CN2C(=O)CNC2=O)cc1 17909700 JDBCUPLFJASCNR-UHFFFAOYSA-N 343.408 1.772 0 40 EDAB CN1CC=CC[C@@]2(CN(CC(=O)Nc3ccc(F)cc3)CCO2)C1=O 19704313 PHTGSSRJYARWKC-GOSISDBHSA-N 347.390 1.254 0 40 EDAB CN(C)C(=O)Cn1cc(NC(=O)CCOc2ccccc2F)cn1 19746088 AKJSZNZYIXXXPM-UHFFFAOYSA-N 334.351 1.518 0 40 EDAB CC(C)N1CCc2nc3cc(C(=O)NC4CC4)ccc3c(=O)n2CC1 12187085 SUWBIGAWRNVILR-UHFFFAOYSA-N 340.427 1.555 0 40 EDAB Cc1ccnc(N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)n1 1888853819 YKMJGJLWDZXSQT-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB Cc1cc2c(N3CCO[C@H](C(=O)N4CCCCC4)C3)nccn2n1 1888854316 XUYPMAKMOFZIHS-HNNXBMFYSA-N 329.404 1.255 0 40 EDAB Cc1csc(CNC(=O)Cn2nc(C)c3ccccc3c2=O)n1 21342590 WFKVQABTULBTCN-UHFFFAOYSA-N 328.397 1.786 0 40 EDAB O=C(c1ccc(CN2CCN(C(=O)C3CC3)CC2)cc1)N1CCCC1 24595555 ZVJQWRXDEXZDOG-UHFFFAOYSA-N 341.455 1.977 0 40 EDAB O=C(CN1CCOC1=O)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238919180 SUXQAOIMIMCKQL-ZIAGYGMSSA-N 342.355 1.231 0 40 EDAB COc1ccc2nnc(CNC(=O)c3cccc(NC(C)=O)c3)n2n1 245015285 LUJKXHRJTSVIPT-UHFFFAOYSA-N 340.343 1.021 0 40 EDAB CC(C)OC[C@@]12CCCO[C@H]1CCN(C(=O)Cn1ccccc1=O)C2 1565546882 BBNXQWZKCJDILZ-LPHOPBHVSA-N 348.443 1.671 0 40 EDAB COCCNC(=O)CSc1nccn1Cc1ccc2c(c1)OCO2 4248822 QBIGEGINNWOTGP-UHFFFAOYSA-N 349.412 1.515 0 40 EDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)CC2CCOCC2)C1 2055772488 NEXSGQYUYIVNFZ-GOSISDBHSA-N 348.447 1.106 0 40 EDAB Cc1ccc(N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)nn1 2055772501 NWFKVEAVQMMBGS-UHFFFAOYSA-N 326.404 1.210 0 40 EDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)C2CC(F)C2)C1 2055750914 LSQQGMACXRELLA-FWXSHLFISA-N 337.370 1.703 0 40 EDAB Cc1nnsc1C(=O)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O 28284103 YGVUXFLNEVUZBP-BDAKNGLRSA-N 340.430 1.583 0 40 EDAB Cc1noc(-c2cn(CCNC(=O)Cc3ccccc3Cl)nn2)n1 217466648 FMTJRXIGJNPCBF-UHFFFAOYSA-N 346.778 1.649 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@H]2C1=O 248335828 NUANHMFWMWBFGM-ABTXLKSRSA-N 341.411 1.535 0 40 EDAB Cc1noc(CN2CCN(C(=O)COc3cccc(C)c3C)CC2)n1 30156174 PRADATLQAOAFHU-UHFFFAOYSA-N 344.415 1.718 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCCNC(=O)c1ccccc1 30847862 AWKAROGVABACRB-OAHLLOKOSA-N 334.416 1.901 0 40 EDAB Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cs1 31272162 YNQRMCCQWOFRLJ-CYBMUJFWSA-N 344.440 1.554 0 40 EDAB COc1ccc([C@H](O)CNC(=O)c2csc(NC(C)=O)n2)cc1 31567710 DJERYMFZXKJSAN-CYBMUJFWSA-N 335.385 1.574 0 40 EDAB CN(C(=O)c1cc(-c2cccc(F)c2)no1)[C@H]1CCS(=O)(=O)C1 40513031 DIODFEQLAANFJD-LBPRGKRZSA-N 338.360 1.740 0 40 EDAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCc1cccs1 102916751 NPXRWKYEVATSCP-ZIAGYGMSSA-N 332.425 1.748 0 40 EDAB CCOc1ccccc1N1C(=O)C(=O)N(Cc2nc(C)no2)C1=O 42616693 JMWCFGYSWHEQIY-UHFFFAOYSA-N 330.300 1.272 0 40 EDAB COc1ccc(COC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1 24094660 LADUSQKXNAKUGJ-CQSZACIVSA-N 348.399 1.437 0 40 EDAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 24094929 VQHPTSKYIFGLEM-OIISXLGYSA-N 345.395 1.804 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 54830384 OISKEQFAVWVMKJ-GFCCVEGCSA-N 330.381 1.725 0 40 EDAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 2404607 QSRQIVDNIIEXJH-SFUJAXRZSA-N 335.400 1.291 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1CN1CCC[C@H](C(F)(F)F)C1 40467739 KYXXKZPJJSACOW-CABZTGNLSA-N 337.367 1.646 0 40 EDAB Cc1ccc(Cn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cc1 40466402 GEBPUFFWCNLEDY-UHFFFAOYSA-N 349.456 1.878 0 40 EDAB COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 40506074 ATDXPTYKRYDKGG-LLVKDONJSA-N 330.306 1.722 0 40 EDAB Cn1c(SCC(=O)NCc2ccco2)nc2sccc2c1=O 3325866 QGGXOCIULRRLEW-UHFFFAOYSA-N 335.410 1.997 0 40 EDAB C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1 3789759 DYRWTUITSIYILW-JTQLQIEISA-N 345.374 1.972 0 40 EDAB in-vitro COc1ccc(F)cc1CSCC(=O)N1CCCC[C@@H]1C(N)=O 96403355 VWCDZINGPHXOMQ-CYBMUJFWSA-N 340.420 1.934 0 40 EDAB COc1cc(CNn2nnnc2N)ccc1OCc1ccccc1C 7601186 NZRSVLIOZDUHTI-UHFFFAOYSA-N 340.387 1.895 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3)n2)C1 29201951 NAKXQNAJWLBWKC-CYBMUJFWSA-N 348.428 1.026 0 40 EDAB Fc1cnc(N2CC[C@H]3OCCN(Cc4cccnc4)[C@@H]3CC2)nc1 107255105 VZYJJESTLNYUTC-IAGOWNOFSA-N 343.406 1.881 0 40 EDAB Cc1noc(C)c1CC(=O)Nc1nc(CN2CCOCC2)cs1 21129023 PXWOQINOTQRJOG-UHFFFAOYSA-N 336.417 1.761 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CN2CCc3cnc(C)nc3C2)c1 69464585 MYTWMGWLFHNJGS-UHFFFAOYSA-N 339.378 1.767 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)Nc1cccc2cnccc12 21219050 HXKKBQOOLYQVPP-UHFFFAOYSA-N 331.335 1.978 0 40 EDAB C[C@H](Cn1cccn1)NCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 69413701 QVTDNRFDSBTBFL-ZIAGYGMSSA-N 344.415 1.510 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1ccco1 11999374 LFYGHWMMCHZZLB-LBPRGKRZSA-N 338.385 1.590 0 40 EDAB NC(=O)CN(CC(=O)N[C@@H]1CCOc2ccccc21)C1CCCC1 52826469 PEZSRYBBRPJNAJ-OAHLLOKOSA-N 331.416 1.356 0 40 EDAB CC(C)c1nc(CSc2nnc(-c3ccco3)n2CC(N)=O)no1 52891838 KVXYMQCBZNXIEI-UHFFFAOYSA-N 348.388 1.822 0 40 EDAB C[C@H]1CN(Cc2csc(NC(=O)c3nccnc3N)n2)C[C@@H](C)O1 22325651 QORBNEIDZQICNM-AOOOYVTPSA-N 348.432 1.377 0 40 EDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 37471613 YCZKDCFPIOJOGW-GOEBONIOSA-N 329.444 1.988 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 107721438 DMOVLNBVWACLCE-YESZJQIVSA-N 340.383 1.460 0 40 EDAB Cc1nc2cc([C@@H]3CCCN3C(=O)c3cnn[nH]3)nn2c(O)c1C 100138850 VVQUNBNJFULVJQ-LBPRGKRZSA-N 327.348 1.147 0 40 EDAB Cn1cc(/C=C/C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(=O)n(C)c1=O 54277213 UPTZEALPQRNNBI-CUTVHNCCSA-N 331.416 1.278 0 40 EDAB CC(=O)Oc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1 8717034 LYFFWORYMAZIIU-UHFFFAOYSA-N 333.369 1.734 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc(F)cc(F)c1 24675788 ADRKZNRTNQMFBN-CYBMUJFWSA-N 332.372 1.509 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 24728324 WIJUWZCAIVSHCX-OCCSQVGLSA-N 336.363 1.955 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC(=O)N(C)c2ccccc21 24729065 SMZNPGGIBPRDGK-KBPBESRZSA-N 332.400 1.841 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 3117583 VCFGFANDINPQKS-UHFFFAOYSA-N 349.290 1.191 0 40 EDAB C[C@H](O)CN1CCN(C[C@H](O)COCc2cccs2)C[C@H]1C 106869163 RTVRIDMAYUDNIG-ILXRZTDVSA-N 328.478 1.013 0 40 EDAB O=C(CN1CCC[C@H]1c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 25360819 FUWITMMCPZTIND-CABCVRRESA-N 340.420 1.266 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)n1 56071841 RDRFQRSQOOWKCW-HZSPNIEDSA-N 342.509 1.948 0 40 EDAB COC1CCN(C(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)CC1 56294504 IOSRNHWNLYUSNT-UHFFFAOYSA-N 342.399 1.320 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)c1)[C@@H]1Cc2ccccc2O1 25758835 WWAJSZJLZHPZKK-KRWDZBQOSA-N 339.395 1.538 0 40 EDAB CCOC(=O)CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 57297906 MPJVRHLBIOOZDH-UHFFFAOYSA-N 329.356 1.351 0 40 EDAB C[C@@H]1CCN(S(=O)(=O)[C@H]2CCOC2)CCN1Cc1ccccc1 108089404 LALCHDJRLHITJG-WBVHZDCISA-N 338.473 1.702 0 40 EDAB O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)[C@@H]1CC1(Cl)Cl 108143978 SAFBESCINPNDFZ-IHRRRGAJSA-N 343.254 1.932 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3ccccc3C(F)(F)F)CC2)N1 58066091 WYFPQKJMLXUFOL-UHFFFAOYSA-N 341.289 1.520 0 40 EDAB O=S(=O)(NCCN1CCC(c2cc[nH]n2)CC1)c1ccccc1 58251524 IVLIPFBTMCPWIT-UHFFFAOYSA-N 334.445 1.568 0 40 EDAB CCCC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 58226526 WKSYTKKGSVOXGN-UHFFFAOYSA-N 336.417 1.196 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@](C)(C(N)=O)c2ccccc2)cc1C 58267694 GSWIGKILVFLCAM-KRWDZBQOSA-N 332.425 1.982 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)Cc2c[nH]c3ccccc23)n1 10387611 QQZLUXWKJFQNLC-UHFFFAOYSA-N 326.360 1.287 0 40 EDAB O=C(NCCCN1CCc2ccccc21)c1ccnc(-n2cncn2)c1 58329675 YKYJRRBJSLOONJ-UHFFFAOYSA-N 348.410 1.845 0 40 EDAB O=C(Nc1nc[nH]n1)c1cccc(S(=O)(=O)N2CCCCC2)c1 10435152 ZWKLUQSNPHLVOP-UHFFFAOYSA-N 335.389 1.232 0 40 EDAB C[C@@H](SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)NC1CC1 45090051 KHRGZUTYVYCUML-LLVKDONJSA-N 342.486 1.837 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 45074897 KHROFYWTFLWPFX-WBVHZDCISA-N 334.391 1.984 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 16379117 GQVQTJRDWZWEQA-OAHLLOKOSA-N 348.834 1.811 0 40 EDAB C[C@H](NC(=O)Cn1ccc2ccc(Br)cc21)C(=O)O 36352566 BVFHQYHKQXQRHU-QMMMGPOBSA-N 325.162 1.993 0 40 EDAB CNC(=O)c1ccc(CN(C)[C@@H]2CCN(c3ccccc3)C2=O)o1 68828293 MKKCUJZEXVSOIP-OAHLLOKOSA-N 327.384 1.877 0 40 EDAB O=C([C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1)N1CCOCC1 247849296 IHMPHJLXGSPGEY-NSHDSACASA-N 344.337 1.571 0 40 EDAB CCCNC(=O)c1ccc(OCC)c(S(=O)(=O)NC(C)C)c1 408700416 FRZJAYGLCCMANX-UHFFFAOYSA-N 328.434 1.912 0 40 EDAB Cc1nnc2ccc(N3CCN(c4nc5ccccc5o4)CC3)nn12 70016351 MFDZLCMWJOOWGC-UHFFFAOYSA-N 335.371 1.901 0 40 EDAB Cc1ccc(/C=c2\sc3n(c2=O)CN(c2ccccc2)CN=3)o1 13750596 QRRZHSBHYLGKCJ-DHDCSXOGSA-N 325.393 1.695 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccc(OC)cc1 16955642 CYTLSYCGVLNAOS-CYBMUJFWSA-N 342.351 1.560 0 40 EDAB biogenic COC(=O)c1nnn(-c2ccc(Br)cc2)c1C(=O)OC 4315799 XLUIGHHLZGCXBV-UHFFFAOYSA-N 340.133 1.603 0 40 EDAB C[C@@H](CCc1ccc(O)cc1)NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 69348428 RZDDEYTUKILVLD-JSGCOSHPSA-N 340.445 1.542 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1C(=O)c2ccccc2C1=O 6383875 OBPWGNKEWJHINW-SMDDNHRTSA-N 343.383 1.687 0 40 EDAB COc1ccc([C@H](CNC(=O)N[C@@H](C)c2nncn2C)N(C)C)cc1 65454296 NWLPPVHLZAKTEE-WFASDCNBSA-N 346.435 1.487 0 40 EDAB CN(C)[C@@H](CNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)C1CC1 65516709 DZRUNLOCZAFHJB-QWHCGFSZSA-N 343.493 1.753 0 40 EDAB Cc1ccccc1CCNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 65521700 ULQCEYKQABLCBO-INIZCTEOSA-N 345.424 1.384 0 40 EDAB COCCCNC(=O)C1(NC(=O)c2ccc3[nH]ncc3c2)CCCC1 65552793 YMDBQAZQFNFLJD-UHFFFAOYSA-N 344.415 1.758 0 40 EDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 65593167 LYUVAUXQQQEXJG-LBPRGKRZSA-N 348.790 1.759 0 40 EDAB O=C(CSc1nc2ncccn2n1)NCCc1ccc(F)cc1 14183477 PWEXUBFWIHHMRB-UHFFFAOYSA-N 331.376 1.714 0 40 EDAB Cc1cccc(C2(C(=O)NCCCNS(C)(=O)=O)CCCC2)c1 65626636 MGDZKMWJFBSUDN-UHFFFAOYSA-N 338.473 1.862 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)NCCc1c[nH]c2cc(C)ccc12 65607041 HZYASBMFXLHGJK-CQSZACIVSA-N 348.472 1.925 0 40 EDAB Cc1nc(NC(=O)CCn2cnc3c(cnn3C)c2=O)sc1C 14779058 GNCQDGNJCKSEFZ-UHFFFAOYSA-N 332.389 1.232 0 40 EDAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 66310049 KCSLQAJKWWWPLG-COXVUDFISA-N 346.427 1.399 0 40 EDAB S=C(SC[C@@H]1CN=C(N2CCOCC2)S1)N1CCCC1 69699653 YQPVULBAFVPDNU-NSHDSACASA-N 331.532 1.904 0 40 EDAB Cc1nc(CN2CCCN(C(=O)CCCn3cncn3)CC2)cs1 69655910 KLZPDUOFUAOTHQ-UHFFFAOYSA-N 348.476 1.558 0 40 EDAB CCN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H](C)Cc1ccc(OC)cc1 66805386 NBFSBAATDBPFNN-HIFRSBDPSA-N 339.457 1.909 0 40 EDAB CCn1cc(CN2CCCN(C(=O)c3cnc(C)cn3)CC2)cn1 69739133 SQZYHKQXODMXTD-UHFFFAOYSA-N 328.420 1.350 0 40 EDAB O=C(CN1CCC[C@H](N2CCCC2)C1)NC(=O)NC1CCCCC1 69978672 MBGOYNYZVRAOTF-INIZCTEOSA-N 336.480 1.705 0 40 EDAB Brc1cnc(NC[C@H]2CN3CCCC[C@@H]3CO2)nc1 90145971 FYRLJOISMFBXKM-NEPJUHHUSA-N 327.226 1.904 0 40 EDAB COc1ccc2oc(C)c(C(=O)N3CCN([C@H](C)C(N)=O)CC3)c2c1 69968080 ONJJFOOVBQEHOI-LLVKDONJSA-N 345.399 1.381 0 40 EDAB C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Cc1cnn(-c2ccccc2)c1 69844139 PXSGXVJZFJQRBV-ZIAGYGMSSA-N 349.456 1.695 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H]1CN(C2CC2)CCO1 69898679 STHAEXIDBCHELH-GOEBONIOSA-N 349.431 1.013 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@@H](C)N2CCOCC2)n1 71865592 UJYMFIXNRSDDBH-SJORKVTESA-N 334.464 1.602 0 40 EDAB C[C@H](CCN(C)C)NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 71841867 IHGCWYDZCJJDHR-CQSZACIVSA-N 348.447 1.621 0 40 EDAB CCO[C@@H]1CCCN(C(=O)CCn2ncc(=O)c3ccccc32)C1 71825577 FHBNUVPBQZVTFJ-CQSZACIVSA-N 329.400 1.814 0 40 EDAB CC(=O)Nc1ccc(CCNC(=O)NCCc2nc(C)no2)cc1 71803200 RGURLSLKWCCMKH-UHFFFAOYSA-N 331.376 1.421 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(F)c(Cl)c1 9156298 CTZZBYRRVJDBQL-YFKPBYRVSA-N 342.787 1.948 0 40 EDAB O=C(CN1C(=O)CNC1=O)N1CCC(c2cc3ccccc3[nH]2)CC1 71840020 CLURHGKOURKHDC-UHFFFAOYSA-N 340.383 1.426 0 40 EDAB Cc1nc2n(n1)C[C@H](NCCC(=O)N1CCc3ccccc31)CC2 71879326 KEFAFCFYPMXGOF-OAHLLOKOSA-N 325.416 1.470 0 40 EDAB CC(C)c1ncc(Cl)c(C(=O)N2CCN(C[C@H](C)O)CC2)n1 71871416 IOSWUALXDIIIQJ-NSHDSACASA-N 326.828 1.392 0 40 EDAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2C)n[nH]1 96013454 CXSFCTQSSBHZRK-UHFFFAOYSA-N 339.373 1.704 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccccc2-n2cnnn2)c1 71869752 QNKVAFWZVRQIDI-AWEZNQCLSA-N 337.387 1.472 0 40 EDAB Cc1nc(-c2cc(C(=O)N3CCN(C[C@@H](C)O)CC3)co2)cs1 71871492 XAHVBXDMVIKSQA-LLVKDONJSA-N 335.429 1.850 0 40 EDAB O=C(c1cccnc1N1CCOCC1)N1CCN2CCCC[C@@H]2C1 71839721 LWQDHQUVTZECQE-OAHLLOKOSA-N 330.432 1.229 0 40 EDAB O=C(Cn1cnnn1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 71796404 UWJKOABTAYQLSN-UHFFFAOYSA-N 348.322 1.112 0 40 EDAB O=C(c1ccc(N2CCOCC2)nc1)N1CCC[C@@H](n2ccnc2)C1 71796518 YCOPSBYJHXOKGD-MRXNPFEDSA-N 341.415 1.592 0 40 EDAB CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@H](C)COC)c1 71920087 WELRINKBCYVTDK-LLVKDONJSA-N 329.422 1.995 0 40 EDAB COCC(=O)N[C@H](C(=O)NCCc1ccc(F)cc1Cl)C(C)C 89891079 DIJCSOMSRHRMOJ-HNNXBMFYSA-N 344.814 1.925 0 40 EDAB CC(C)c1noc(CCNS(=O)(=O)c2ccc3cn[nH]c3c2)n1 89893641 QODQTDWHUBSOQF-UHFFFAOYSA-N 335.389 1.590 0 40 EDAB CCOCC(=O)NC[C@H](c1ccc(F)cc1)N(C)C(=O)COCC 72297947 UFHCTFVGOQZYOS-OAHLLOKOSA-N 340.395 1.514 0 40 EDAB CCOc1cc(CNc2cc(N3CCC[C@H]3CO)ncn2)ccn1 72276124 MFGMHKXUVCKEDR-AWEZNQCLSA-N 329.404 1.844 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](c2noc(C)n2)C1 72231748 ZIOFYICMCVDKBR-ZYHUDNBSSA-N 329.422 1.297 0 40 EDAB CCCn1cnnc1COC(=O)CCN1C(=O)COc2ccccc21 89960766 CMCFQRJSYGAXQS-UHFFFAOYSA-N 344.371 1.547 0 40 EDAB C[C@@H](CO)NC(=O)Nc1cc(Br)cnc1-n1cccn1 97166041 KQMOMLXRQQUZKC-QMMMGPOBSA-N 340.181 1.532 0 40 EDAB O=C(Cn1cn[nH]c1=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 97103234 QTVPPAYHZNITFV-SFHVURJKSA-N 348.406 1.940 0 40 EDAB COCCN(CCO)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 76017728 QWWOTLARWMVVRY-UHFFFAOYSA-N 339.367 1.425 0 40 EDAB CCC[C@](C)(O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O 76019196 BUBRNAOFHSDDFN-HKUYNNGSSA-N 345.443 1.882 0 40 EDAB C[S@@](=O)CCNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 76041473 BJNIRVPRSGYOFP-HXOBKFHXSA-N 336.457 1.424 0 40 EDAB O=C(NCc1ccc(-c2nnn[nH]2)cc1)[C@@H]1Cc2cc(F)ccc2O1 76996181 ARMRRRMYKNZTEE-HNNXBMFYSA-N 339.330 1.626 0 40 EDAB C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc(F)c(Br)c1 95450092 QQPYIDFIIAYNBB-WCBMZHEXSA-N 332.169 1.810 0 40 EDAB COCC[C@H](NC(=O)Cc1csc(-c2cccs2)n1)C(N)=O 95463327 GLSPYTMKCDRVNW-JTQLQIEISA-N 339.442 1.421 0 40 EDAB Cc1noc2ncc(S(=O)(=O)N3CCCC[C@@H]3[C@@H](C)O)cc12 95442385 IOTITMWBDJMWMB-ZWNOBZJWSA-N 325.390 1.455 0 40 EDAB CN(C)c1cccc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)c1 78449388 WBLQLKQXBKVUHJ-HNNXBMFYSA-N 333.457 1.794 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(-c3nnco3)cc2)CC1 78604111 VVWNOBGMRIGOIX-LBPRGKRZSA-N 344.371 1.195 0 40 EDAB O=C(c1c(Cl)nc2ccccn12)N1CCN([C@H]2CCC[C@@H]2O)CC1 78789096 ILZYYEPVECVKJI-STQMWFEESA-N 348.834 1.659 0 40 EDAB CCCc1nc([C@H]2CN(C(=O)[C@@H]3CCCCN3CCC)CCO2)n[nH]1 78890201 DVLFRVGBSOECRR-LSDHHAIUSA-N 349.479 1.922 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1 95974040 KOMNLUDTQHDZMQ-GJZGRUSLSA-N 341.415 1.614 0 40 EDAB Cc1nccn1-c1ccc(F)cc1CNC(=O)NCc1ncnn1C 95962460 VFEKVKPWHSAAAS-UHFFFAOYSA-N 343.366 1.448 0 40 EDAB O=C(N1CCOCC1)N1CCN(Cc2nc3c(s2)CCC3)CC1 95986562 JVAMGVFVFDRLOM-UHFFFAOYSA-N 336.461 1.202 0 40 EDAB Cc1ccc(-n2[nH]c(C(=O)Nc3ccnc4ccnn34)cc2=O)cc1 74679413 DHFFPVSXAKSQJD-UHFFFAOYSA-N 334.339 1.769 0 40 EDAB CCCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1 408601021 DPWDJIFSCBPNMR-UHFFFAOYSA-N 328.434 1.622 0 40 EDAB Cc1cccc(N2CCN(C(=O)CCCC(=O)N(C)C)[C@@H](C)C2)n1 73726945 PJXSKHYLCAEMTG-HNNXBMFYSA-N 332.448 1.686 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2ccccn2)[C@H]1c1ccccc1 72237969 RPUUXGBTRBENNT-SJORKVTESA-N 325.368 1.296 0 40 EDAB C[C@@H]1CCO[C@@H]1C(=O)NS(=O)(=O)Cc1ccc2c(c1)COC2 408499387 MOKJKCOJOVSEDM-YGRLFVJLSA-N 325.386 1.088 0 40 EDAB Cc1nc(CCC(N)=O)cc(C2CCN(Cc3ccccn3)CC2)n1 72367076 PCEKRSRXEUWAAP-UHFFFAOYSA-N 339.443 1.978 0 40 EDAB CC(C)(C)n1nnnc1CN1C[C@H]2CN(c3ccccc3)C[C@H]2C1 521393948 NQTGLANOZLEBFV-GASCZTMLSA-N 326.448 1.996 0 40 EDAB CCn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)cn1 72237880 VIUSETKJNCTWOV-JKSUJKDBSA-N 328.372 1.440 0 40 EDAB COc1ccc2cnn(CC(=O)Nc3nccs3)c(=O)c2c1OC 79494532 VBBXMRMAALTCAT-UHFFFAOYSA-N 346.368 1.509 0 40 EDAB Cc1ncn(CCNS(=O)(=O)c2ccc(Cl)s2)c(=O)c1C 75166407 CPVKEMSUGVYVGZ-UHFFFAOYSA-N 347.849 1.554 0 40 EDAB Cn1c(=O)c(CCC(=O)NCC2CCOCC2)nc2ccccc21 72404191 TYCANPGNRFYFDG-UHFFFAOYSA-N 329.400 1.409 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1 217563045 LUCUMSPKGPJKOI-WDEREUQCSA-N 344.433 1.908 0 40 EDAB CC[C@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)cc1 225954563 BWPMUVLGYRJVGC-FZMZJTMJSA-N 328.434 1.590 0 40 EDAB CCCCNC(=O)Cc1noc(-c2ncn(-c3ccccc3)n2)n1 132424411 MAVICHWKSUZQGJ-UHFFFAOYSA-N 326.360 1.776 0 40 EDAB Cc1ccc(F)cc1C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 88213446 MRBCDKZDIPXPET-HNNXBMFYSA-N 347.434 1.903 0 40 EDAB Cn1nc(CCNS(=O)(=O)CCN2CCCC2)c2ccccc21 192870739 YNDODVPHMOOJTQ-UHFFFAOYSA-N 336.461 1.131 0 40 EDAB CO[C@@H](C)CS(=O)(=O)N1CCN([C@H](C)c2ccsc2)CC1 195454918 DGZMTRAUUPEETP-QWHCGFSZSA-N 332.491 1.791 0 40 EDAB O=C(N1CCCC1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 96049181 GEHXKMBKGHKQFN-QGZVFWFLSA-N 331.420 1.364 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)CCCN2C(=O)CNC2=O)c1 96134049 BGVUBNPBYQQMET-UHFFFAOYSA-N 346.431 1.087 0 40 EDAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1nnc(N)n1C 96475623 JWANBEOWUYWFBJ-MRVPVSSYSA-N 341.387 1.987 0 40 EDAB CCc1ccc([C@@H]2COCCN2C(=O)C(=O)c2c(C)nn(C)c2C)o1 96412276 PGYLEVFSNLFMBK-AWEZNQCLSA-N 345.399 1.975 0 40 EDAB Cc1nc([C@H]2CCN(CC(=O)NCc3cc(F)cc(F)c3)C2)n[nH]1 581534778 TYZCWAOWHAQOFK-LBPRGKRZSA-N 335.358 1.497 0 40 EDAB Cc1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)n(C)n1 96181652 LIKAJUCAQXUEMU-HZPDHXFCSA-N 346.362 1.405 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2O1 96056663 YEASHHITFOBGJG-UNEWFSDZSA-N 329.400 1.637 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1c(=O)oc2cccnc21 96475829 FDMABEHYDYRFOO-OLZOCXBDSA-N 333.388 1.701 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN2CCCC2)cn1 96057923 LZNNCFANPYMJPK-RCCFBDPRSA-N 334.464 1.264 0 40 EDAB O=C(CC1CCCC1)NC[C@H]1Cn2nnc(-c3cncnc3)c2CO1 96069410 URXVNRIPBCWUED-AWEZNQCLSA-N 342.403 1.330 0 40 EDAB Cn1cc(N2CC[C@]3(CCCN(C(=O)c4cccnc4)C3)C2=O)cn1 96224648 LDXRKSKSYZNLJW-SFHVURJKSA-N 339.399 1.474 0 40 EDAB COCCN1CCOCC12CCN(C(=O)Cc1cccs1)CC2 96226169 UYNCDLITBBYZFE-UHFFFAOYSA-N 338.473 1.630 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(OCc3nnnn3C)cc2)C[C@@H](C)O1 96101310 VLCOSXNQQHUELU-TXEJJXNPSA-N 331.376 1.039 0 40 EDAB Cc1nscc1C(=O)N1CCC(NC(=O)c2cccnc2)CC1 97237491 QETZZAYELRDGRI-UHFFFAOYSA-N 330.413 1.881 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](C)Cn2cccn2)cc1N(C)C 96461892 IJDOEPCFHZJJLR-ZDUSSCGKSA-N 336.461 1.872 0 40 EDAB Cc1cccc(CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 242694236 CXOFLODKHBTXLC-UHFFFAOYSA-N 326.352 1.656 0 40 EDAB COCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 247891255 TUFJQCMCRDPHPX-QPWUGHHJSA-N 344.411 1.704 0 40 EDAB O=C(N[C@@H]1CCCNC1=O)c1cccc(Cc2cccc(F)c2)n1 257215981 CSOFMJKIJVWOLU-OAHLLOKOSA-N 327.359 1.820 0 40 EDAB Cn1nc(N)c2ccc([C@H]3CCCN(C(=O)CN4CCCC4)C3)nc21 257329920 XLZYGLBTAVCSOB-ZDUSSCGKSA-N 342.447 1.352 0 40 EDAB CCOC(=O)[C@]1(F)CN(Cc2ncc(Cl)s2)CC12COC2 583651729 RIHGIVYKAXNWLY-CYBMUJFWSA-N 334.800 1.900 0 40 EDAB Nc1nccnc1[C@@H]1CN(Cc2ccccc2OCC(=O)O)CCO1 257288090 PSTMOPHENULWKZ-AWEZNQCLSA-N 344.371 1.096 0 40 EDAB C[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3F)n2)CCN1CCO 252540169 OUTWZXOELHRMLZ-CYBMUJFWSA-N 336.386 1.649 0 40 EDAB CO[C@@H]1CN(CC(=O)Nc2ccc(NC(C)=O)cc2)C[C@]12CCCO2 257218601 DDTKYWUZVFDGSU-SJLPKXTDSA-N 347.415 1.463 0 40 EDAB Cc1cccc(N2CCC[C@H](N(C)S(=O)(=O)N3CCCC3)C2)n1 257258363 KTOIGQICAKYPIB-HNNXBMFYSA-N 338.477 1.631 0 40 EDAB Cc1cn(C)c([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257272515 NCRHGKPYQQIIBA-MRXNPFEDSA-N 342.447 1.692 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ccon3)CC2)C[C@H](O)C1(C)C 257289357 PYGSGFFJOQXCDK-AWEZNQCLSA-N 335.404 1.289 0 40 EDAB C[C@]1(COc2cccnc2)C[C@@H]2CN(C(=O)c3c[nH]cn3)CC[C@@H]2O1 257288878 PWBCQYIGHMZAQI-RPVQJOFSSA-N 342.399 1.893 0 40 EDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(CC2CCOCC2)C3)n1 253480068 USZWMPVPEWAKLY-INIZCTEOSA-N 333.432 1.824 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)n1 257260385 LCPVKBKUXBCKED-CQSZACIVSA-N 344.371 1.571 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(C(=O)c2csc3c2CCCC3)C1 257260323 LCHUOOHNWIKMKX-LBPRGKRZSA-N 335.473 1.377 0 40 EDAB CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H](C)N(C)C)c1 584907745 TZXIBNDRUQNXDA-LBPRGKRZSA-N 327.450 1.654 0 40 EDAB COCCOc1cccc(C(=O)N2CCN(c3n[nH]c(C)n3)CC2)c1 585130553 UGGPZJVIMUVXNA-UHFFFAOYSA-N 345.403 1.101 0 40 EDAB CCN(C[C@H](O)C(F)(F)F)C(=O)c1cnn2ccc(C=O)cc12 585140842 JYFSOHSODRHPEM-LBPRGKRZSA-N 329.278 1.532 0 40 EDAB Cc1ccnc([C@H]2CN(C(=O)c3cn4c(C)cccc4n3)CCO2)n1 257217189 CXXNSMBWKPSJLS-OAHLLOKOSA-N 337.383 1.955 0 40 EDAB C[C@H](NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)c1cnn(C)c1 266784866 KPCXVYIJAHFVDZ-DZGCQCFKSA-N 343.435 1.582 0 40 EDAB C[C@@H]1CN(C(=O)N[C@H](C2CCOCC2)C2CC2)CC[S@](=O)C1 593452644 YKQMCKWBXJXEJJ-PVSQZPHNSA-N 328.478 1.602 0 40 EDAB COCCNS(=O)(=O)c1cnc(N2CCC[C@H]2C)c(Cl)c1 1615045946 NZGAEWXZAACCKN-SNVBAGLBSA-N 333.841 1.648 0 40 EDAB O=C(NC[C@@H](O)Cn1ccccc1=O)c1ccc2ncsc2c1 96124325 DLGGARFNDKJQJP-GFCCVEGCSA-N 329.381 1.249 0 40 EDAB CN1CC[C@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 585101750 DOIXCGOBUMKPNL-KRWDZBQOSA-N 329.379 1.717 0 40 EDAB CCn1ncc2cc(C(=O)NC3(CC(=O)O)CCOCC3)c(C)nc21 663123800 URWRRTKOGURLNM-UHFFFAOYSA-N 346.387 1.513 0 40 EDAB Cc1ccccc1OC[C@@]1(O)COCCN(Cc2c[nH]nc2C)C1 585275209 AHOBSUYHGLDKRO-SFHVURJKSA-N 331.416 1.669 0 40 EDAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)c1cnc(C2CC2)nc1 585278659 PWTFJEQZQCGAFW-GJZGRUSLSA-N 346.431 1.500 0 40 EDAB Cc1nc(C)n(CC(=O)N2CC[C@H](Cc3ccccc3)[C@H](O)C2)n1 585280432 IVXKZOGDVUIBLC-IAGOWNOFSA-N 328.416 1.347 0 40 EDAB Cc1cc(NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)n(C)n1 44945012 ILZKQOQYBKZZHS-UHFFFAOYSA-N 343.435 1.197 0 40 EDAB O=C(NCCCn1ccnc1)[C@H]1CCCN(C(=O)c2ccco2)C1 48354021 HRKQSGIDEZEYCC-AWEZNQCLSA-N 330.388 1.535 0 40 EDAB Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)s1 63199266 AHEWRORPEWYHQM-NWDGAFQWSA-N 345.490 1.841 0 40 EDAB C[C@H](Nc1cccc(NC(=O)CO)c1)C(=O)NCc1cccs1 66582871 WLWYHFRHTQPYSJ-NSHDSACASA-N 333.413 1.796 0 40 EDAB CCc1noc(CN(C)C(=O)Nc2cccc(NC(=O)COC)c2)n1 69594151 PTVQUCXKTYTRRU-UHFFFAOYSA-N 347.375 1.881 0 40 EDAB COC(=O)N1CCC[C@@H](C(=O)NCCOc2ccccc2OC)C1 69875572 NIVSDLLMSLDSLO-CYBMUJFWSA-N 336.388 1.669 0 40 EDAB CN1C[C@H](C(=O)OCC(=O)NCC2(c3ccccc3)CCC2)CC1=O 83877391 ABGDTUGASJLSGF-CQSZACIVSA-N 344.411 1.246 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@](C)(O)c1cccs1 96025993 HWWLJPBYOXOQOW-ZDUSSCGKSA-N 329.447 1.284 0 40 EDAB O=C([C@@H]1CCCN(c2ncnc3c2CCCC3)C1)N1CCOCC1 674748913 ZNZTUXQRWNNVKA-CQSZACIVSA-N 330.432 1.431 0 40 EDAB Cc1nc2c(c(N3CC[C@@](O)(c4cn(C(C)C)nn4)C3)n1)CCCC2 583616669 YMNPOBDWBKYRQU-SFHVURJKSA-N 342.447 1.934 0 40 EDAB O=S(=O)(c1ccc2scnc2c1)N1CCSC[C@H]1CO 1616034868 WGPZAQMXDDDVID-SECBINFHSA-N 330.456 1.395 0 40 EDAB O=C1CN(C(=O)[C@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)CCN1 12087274 JIUXFINONWPVSP-UXDKQJBESA-N 340.379 1.005 0 40 EDAB CCn1c(N2CCC(C(=O)NCC(=O)OC)CC2)nc2ccccc21 12143612 LNQVNIAEKKYMAK-UHFFFAOYSA-N 344.415 1.562 0 40 EDAB Cc1csc2nc3n(c(=O)c12)CCN(C(=O)c1ccncc1)CC3 12253280 HGGMLWZUZQDLLJ-UHFFFAOYSA-N 340.408 1.860 0 40 EDAB COc1ccc(-c2noc(C(=O)NCCCN(C)C)n2)cc1OC 12390328 LNAAXHXWZOXIAP-UHFFFAOYSA-N 334.376 1.435 0 40 EDAB CCCCOc1ccccc1[C@H]1C(C(N)=O)=C(C)N=C2N=CNN21 4071533 UBJWSEJMPPTJCR-HNNXBMFYSA-N 327.388 1.884 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)C1CN(c2cc(-n3ccnc3)ncn2)C1 575604695 CYWQGEPBCFEUGU-UKRRQHHQSA-N 340.431 1.793 0 40 EDAB CCn1cc(Br)c(C(=O)N(C)Cc2cnn(C)c2C)n1 2778100 ZPIFGFWKZURGNP-UHFFFAOYSA-N 340.225 1.980 0 40 EDAB Cc1cc(NC(=O)CCN(C)Cc2nc3ccccc3c(=O)[nH]2)no1 12889106 BEHQDOIFQTXUDH-UHFFFAOYSA-N 341.371 1.680 0 40 EDAB Cc1ccc(N2CCN(c3nccc(N4CCCC4)n3)CC2)nn1 1889077188 CGXSEPGPHXLLPR-UHFFFAOYSA-N 325.420 1.502 0 40 EDAB O=S(=O)(N[C@H]1CCCN(c2cc(C3CCC3)ncn2)C1)C1CC1 1889108029 BHKBJHYJRJOCFS-ZDUSSCGKSA-N 336.461 1.795 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(NS(C)(=O)=O)c(C)c1 32771602 OSSQYUHIBCLQTK-SNVBAGLBSA-N 342.421 1.013 0 40 EDAB COC(=O)c1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1 240792013 AYSLTJTYRRTYGE-UHFFFAOYSA-N 342.355 1.352 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@@H](c3ncon3)C2)cc1F 238879647 OXWROWYDXMBFRR-SNVBAGLBSA-N 341.364 1.786 0 40 EDAB Cn1cc(C(=O)N2CC[C@H](c3noc(-c4ccsc4)n3)C2)nn1 238971219 ZKTCNQFVRQNVQA-VIFPVBQESA-N 330.373 1.556 0 40 EDAB COCCN[C@@H]1CSC2(C1)CN(C(=O)c1ccc(OC)nc1)C2 2056223932 IANMPIJQFMOVPK-ZDUSSCGKSA-N 337.445 1.026 0 40 EDAB COc1cc(C(=O)N2CCc3ncnc(-c4cccnc4)c3C2)on1 1565556609 XBJQUFNYISRMFM-UHFFFAOYSA-N 337.339 1.734 0 40 EDAB COCCN1CCN(C(=O)CCc2cncnc2)Cc2cccnc21 1565542604 DKAOBAVXVUBUAU-UHFFFAOYSA-N 341.415 1.299 0 40 EDAB Cc1ccc(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1F 5056480 JPXYPKYEJAVJCI-UHFFFAOYSA-N 341.346 1.432 0 40 EDAB O=C(c1ccccc1)c1ccc2nc(NCCO)c3nncn3c2c1 6901635 JAGNVDANXKZSGE-UHFFFAOYSA-N 333.351 1.913 0 40 EDAB O=C(NCc1c(F)cccc1F)C(=O)Nc1ccc2c(c1)OCO2 10326190 CLRQIQBMTZQVHH-UHFFFAOYSA-N 334.278 1.948 0 40 EDAB CN(Cc1nnco1)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1775970376 DRAIAWVGLCYVGQ-UHFFFAOYSA-N 340.362 1.986 0 40 EDAB CCN=c1ccnc(N2CCN(c3nc(C4CC4)ns3)CC2)[nH]1 2086875542 ZSROFFMVZKSSJD-UHFFFAOYSA-N 331.449 1.386 0 40 EDAB COc1ccc(OC)c(-c2cc(N)c(=O)n(Cc3ccncc3)n2)c1 36709048 XECUCMNGDSXQGT-UHFFFAOYSA-N 338.367 1.953 0 40 EDAB c1cc(N2CCN(c3ccc4nncn4n3)CC2)nc(-n2cccn2)c1 2298080863 ZHXBTFGETJCDQY-UHFFFAOYSA-N 347.386 1.032 0 40 EDAB C[C@H](Sc1ncnc2[nH]cnc12)C(=O)Nc1ccc(C(N)=O)cc1 13578860 MCWWQKFHRLDOJX-QMMMGPOBSA-N 342.384 1.571 0 40 EDAB O=c1cc(CO)oc(CN2CCN(c3ccccc3F)CC2)c1O 90454 LBHQEARAAORMKS-UHFFFAOYSA-N 334.347 1.299 0 40 EDAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCc1ccc(F)cc1 36589858 VYYYUMMMXFJTRZ-OAHLLOKOSA-N 341.342 1.583 0 40 EDAB CC(C)c1nc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cs1 31651738 LXUYTRLXQKQWKB-UHFFFAOYSA-N 341.458 1.727 0 40 EDAB Cc1cc(N2CCN(c3nnnn3-c3ccccc3)CC2)nc(C)n1 40504599 OERFTMNFNTZZAG-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB CC1(C)Cc2cccc(OCC(=O)N[C@@H]3CCCCNC3=O)c2O1 40521476 UYOSZLZSIMEMCH-CYBMUJFWSA-N 332.400 1.564 0 40 EDAB Cc1noc(CS(=O)(=O)CC(=O)N2CCCc3ccccc32)n1 40528684 CSHRCEAHZHFVSA-UHFFFAOYSA-N 335.385 1.272 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCN(Cc2ccncc2)CC1 40511320 CZVSVGYQJOHMFQ-UHFFFAOYSA-N 326.466 1.176 0 40 EDAB Cc1nccn1CCCNC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 40555065 JRNRXBKUUZXQCT-CYBMUJFWSA-N 342.399 1.512 0 40 EDAB CN(Cc1ccco1)C(=O)NCc1ccnc(N2CCOCC2)c1 40553529 VSTBPIPVPCRCBN-UHFFFAOYSA-N 330.388 1.853 0 40 EDAB COc1ccc(S(=O)(=O)NCCc2cn3ccccc3n2)cc1 4248479 KZAVMPGBVRRLML-UHFFFAOYSA-N 331.397 1.864 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)NC[C@H]1CCCO1 7292992 AHVYYPXDNFBDJL-CQSZACIVSA-N 344.371 1.028 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccc(O)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859081 RSUAGPSEDHULFZ-KWBADKCTSA-N 348.277 1.176 0 40 EDAB CCOC(=O)c1sc(NS(=O)(=O)c2cn(C)cn2)cc1C 52096599 ZNDYATCPTBIKDH-UHFFFAOYSA-N 329.403 1.768 0 40 EDAB CC(C)N(CC(N)=O)CC(=O)N1CCC(Cc2ccccc2)CC1 8532652 HXGZZNGHVDFQDN-UHFFFAOYSA-N 331.460 1.663 0 40 EDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCC(=O)c1ccc[nH]1 2624415 HIFZHDRBLHUACU-UHFFFAOYSA-N 325.324 1.610 0 40 EDAB COC(=O)c1c(NC(=O)/C=C\C(=O)O)sc2c1CC(C)(C)OC2 100932283 IPXVLDDTERYBTI-PLNGDYQASA-N 339.369 1.965 0 40 EDAB O=C1C[C@H](C(=O)NCCNC(=O)c2ccco2)c2ccc(F)cc2N1 32908642 OTVHKDVZFWEFML-LBPRGKRZSA-N 345.330 1.391 0 40 EDAB CC(=O)N1CCN(C(=O)CCNC(=O)c2ccccc2Cl)CC1 32980233 TXLKFZXHRSCQCG-UHFFFAOYSA-N 337.807 1.151 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C)cn2)cc1 9468354 CLQRLQFKQFMWNX-LBPRGKRZSA-N 349.412 1.704 0 40 EDAB CC[C@@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccccc1OC 41606147 JXJSDNYLAODXQS-SNVBAGLBSA-N 336.373 1.389 0 40 EDAB Cc1ccccc1-c1nnn(CC(=O)NC[C@H]2Cc3ccccc3O2)n1 53115153 SBANAFQNXGSRPC-OAHLLOKOSA-N 349.394 1.768 0 40 EDAB CCOC(=O)N1CCN(CCC(=O)Nc2ccc(C(C)=O)cc2)CC1 22197979 HXJZAZVUTCBQHJ-UHFFFAOYSA-N 347.415 1.992 0 40 EDAB CNC(=O)c1cccc(CNC(=O)N2CCN(C3CCCC3)CC2)c1 46998989 JFTFHGYVQZTOBX-UHFFFAOYSA-N 344.459 1.816 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)c3ccc(CNC(N)=O)cc3)C2)n1 54121573 BMNZRPACAXUQNI-AWEZNQCLSA-N 343.387 1.566 0 40 EDAB O=C(Nc1nc[nH]n1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 23141747 BZDYGHXKEQYTIB-UHFFFAOYSA-N 338.371 1.883 0 40 EDAB Cc1csc(=O)n1CCC(=O)OCC(=O)NC1CCC(C)CC1 25007674 QRSWXJMLIACLFJ-UHFFFAOYSA-N 340.445 1.846 0 40 EDAB C[C@@]12[C@@H]3[C@H]4[C@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@]41Br)C21OCCO1 102475439 QKDMEDBNNOGXJP-BPSJAXFDSA-N 341.201 1.378 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)NCC(=O)N(C)C)cc2)C[C@@H](C)O1 50082310 AQJBNKMNDYRULH-BETUJISGSA-N 334.420 1.510 0 40 EDAB COCCCNC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 22273157 CXXZUSKHMDAIHM-UHFFFAOYSA-N 328.434 1.222 0 40 EDAB Cn1cc(CNC(=O)NCc2ccnc(OCC(F)(F)F)c2)cn1 54813127 KHCVOZZPUPFMEK-UHFFFAOYSA-N 343.309 1.756 0 40 EDAB CC(C)(C)OC(=O)N1CCN(Cn2nc3ccccn3c2=O)CC1 24574242 WOFOISXGMJCJBI-UHFFFAOYSA-N 333.392 1.006 0 40 EDAB Cn1c(=O)c2c(nc(NCCCc3ccccc3)n2C)n(C)c1=O 12497482 SKQFDCUGMWKOAL-UHFFFAOYSA-N 327.388 1.015 0 40 EDAB Cc1cnc(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)s1 43386216 VLOGOWXMMJFKKB-UHFFFAOYSA-N 337.449 1.223 0 40 EDAB OC[C@@]12O[C@@H]3CC[C@@H]4[C@@H]3[C@@H]1[C@@H]1[C@@H]3[C@@H]2[C@H]2CC[C@@H]5O[C@@](CO)([C@@H]3[C@H]52)[C@H]41 104288822 MNXFVUUNFHGREX-MQDRPGGISA-N 330.424 1.050 0 40 EDAB Cc1cc(S(=O)(=O)N2C[C@@H]3C[C@@H]2C(=O)O3)c(Cl)cc1Cl 101453458 HCIVMKUTXDRHGW-OIBJUYFYSA-N 336.196 1.990 0 40 EDAB O=S(=O)(NC1CC2(CCN(Cc3ccncc3)CC2)C1)C1CC1 108526999 QRYZXQAVSVWGRM-UHFFFAOYSA-N 335.473 1.908 0 40 EDAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(CCO)CC1 25686355 WGRRZOHHTGISHU-UHFFFAOYSA-N 346.406 1.378 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c(=O)[nH]1 26310837 HXPOZZWKSLSJBB-MLGOLLRUSA-N 335.429 1.062 0 40 EDAB Cc1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[nH]c2c1C(=O)CCC2 108071757 SPJXWVGDSZNPKP-QWHCGFSZSA-N 331.416 1.435 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)[C@@H]1C 57362603 VWHBZTSBHIRFBE-VQHPVUNQSA-N 345.491 1.928 0 40 EDAB NC(=O)C1(CNC(=O)Cc2ccc(Cl)cc2Cl)CCOCC1 47930900 DFFRXBIMBVPKRS-UHFFFAOYSA-N 345.226 1.934 0 40 EDAB Cc1nc(NC(=O)[C@@H](C)N2CCC3(CC2)OCCO3)sc1C 26935950 YHXSPWKUKCJDJX-LLVKDONJSA-N 325.434 1.926 0 40 EDAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@H](CC(C)C)C1=O 3297379 MMIZGSXCQFVCQE-CYBMUJFWSA-N 333.388 1.990 0 40 EDAB CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 58169259 IUNJSGANMIBJGO-GOSISDBHSA-N 343.471 1.777 0 40 EDAB COc1ccc([C@@H](CNC(=O)[C@H]2CCCO2)N2CCOCC2)cc1 36078219 MCMHTFRQHDJZLZ-IAGOWNOFSA-N 334.416 1.364 0 40 EDAB CS(=O)(=O)Nc1nnc(SCC(=O)Nc2ccccc2)s1 2186105 WFJQHULSDVBOEA-UHFFFAOYSA-N 344.443 1.640 0 40 EDAB O=C(CN1CCCC[C@@H]1C(=O)N1CCCC1)NCc1ccccc1 58265956 XHETYJGLJNLURO-QGZVFWFLSA-N 329.444 1.780 0 40 EDAB COCCNC(=O)CCNC(=O)NCC(C)(C)c1cccc(C)c1 58237475 DBKQFTGFXAJUJF-UHFFFAOYSA-N 335.448 1.725 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCCCNC1=O 44967998 UPLKMNIRFVPWRP-ZDUSSCGKSA-N 333.388 1.268 0 40 EDAB CC(C)c1nn(C)c(N(C)C)c1CN[C@@H](C)c1nnc2n1CCC2 58393937 FKUHSAXRJWLLMQ-LBPRGKRZSA-N 331.468 1.998 0 40 EDAB CCOc1ncccc1CNC(=O)NCC(C)(C)N1CCOCC1 58356131 TYTFDVCDAVMPAF-UHFFFAOYSA-N 336.436 1.390 0 40 EDAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 17068239 UZUVKOGEOANYGH-STQMWFEESA-N 332.356 1.231 0 40 EDAB Cc1cc(=O)oc2cc(OC[C@@H](O)CN3C[C@H](C)O[C@H](C)C3)ccc12 12635944 AGJBSEHSHCYFEH-ZNMIVQPWSA-N 347.411 1.950 0 40 EDAB Cc1noc([C@H](C)N2CCN(CCC(=O)NC3CCCCC3)CC2)n1 69485590 MCUJSOLNNSTOHB-AWEZNQCLSA-N 349.479 1.896 0 40 EDAB C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccc(Cl)s1 48303387 ZHPLCIVIJDCZGF-MRVPVSSYSA-N 341.824 1.572 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)CNC1=NS(=O)(=O)c2ccccc21 48324307 RWKQZNPETOPKMV-NSHDSACASA-N 347.396 1.066 0 40 EDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCCN(C[C@H]2CCCO2)CC1 48368906 XRKJUHWVKYULDY-CQSZACIVSA-N 344.415 1.997 0 40 EDAB Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@H]1CCC(=O)N1 12894514 BGWVANBHKBNYRW-OLZOCXBDSA-N 333.413 1.114 0 40 EDAB biogenic Cn1cc(S(=O)(=O)Nc2ccc(SCCCO)cc2)cn1 69388542 XYWMZMGPEVMNMJ-UHFFFAOYSA-N 327.431 1.695 0 40 EDAB CCO[C@H](CC)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 69438711 PHEVLHZSAPOIKK-OAHLLOKOSA-N 348.447 1.052 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)[C@@H]1CSCN1C(=O)C1CCC1 69457795 CNKWXDTWZUACLB-ZDUSSCGKSA-N 341.477 1.061 0 40 EDAB CCOC(=O)CSC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC 4013929 ZJDODEKYCKYTHP-JTQLQIEISA-N 335.422 1.739 0 40 EDAB O=C1CC[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)N1 64311719 PTIVNOAOSNCTMD-AWEZNQCLSA-N 336.819 1.783 0 40 EDAB COc1ccc(CNC(=O)CNc2nc(Cl)nc3[nH]cnc23)cc1 13626607 UAGNSEMSSIWHNT-UHFFFAOYSA-N 346.778 1.743 0 40 EDAB COCCN(C)CCNC(=O)c1ccc(NC(=O)NC(C)C)cc1 69593497 XOVCTRHELPQRNZ-UHFFFAOYSA-N 336.436 1.525 0 40 EDAB O=C(O)[C@H]1CCC(=O)N(CCNc2ncccn2)[C@H]1c1ccccc1 69571191 KRXORSUKTQANBJ-HOCLYGCPSA-N 340.383 1.953 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 8500824 UOJSORJEEACOTA-OAHLLOKOSA-N 348.794 1.704 0 40 EDAB CC1(C)Cc2ccc(C(=O)NCCC(=O)N3CCCC3)c(O)c2O1 69656452 RGGCYXASAICKQC-UHFFFAOYSA-N 332.400 1.848 0 40 EDAB COCCN1CCN(Cc2noc(-c3ccc(OC)cc3)n2)CC1=O 91837692 GXMNIRSMCKQGBG-UHFFFAOYSA-N 346.387 1.036 0 40 EDAB CC(C)(C)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O 6393830 FLZKTBPZVNDUOI-GOSISDBHSA-N 346.383 1.840 0 40 EDAB CCCc1nc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)no1 65434649 OJVMBDQUHKVULA-GFCCVEGCSA-N 334.420 1.632 0 40 EDAB NC(=O)CCn1ccc(Nc2ncnc3c2nnn3-c2ccccc2)n1 75140754 QECLIOHFXXZSBT-UHFFFAOYSA-N 349.358 1.026 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1 14182196 GIRLOCUKOWHSIJ-CQSZACIVSA-N 334.422 1.990 0 40 EDAB COC(=O)C[C@H](NC(=O)c1cc2c(s1)CC[C@H](C)C2)C(=O)OC 14246115 NLYZMZXYTUWIIM-ONGXEEELSA-N 339.413 1.707 0 40 EDAB Cn1ccs/c1=N\C(=O)CCCN1C(=O)c2ccccc2C1=O 6542640 KQGZSFUSBVDLAD-MSUUIHNZSA-N 329.381 1.590 0 40 EDAB C[C@H](NC(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1)C1CC1 69842542 MATIPMXXKQONGQ-YJBOKZPZSA-N 331.460 1.252 0 40 EDAB COc1cccc(CN2CCN(c3ccc4nnc(C)n4n3)CC2)c1 69848455 PIEHEPPIJSZWCY-UHFFFAOYSA-N 338.415 1.764 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)NC[C@@H](C)N(C)C)CC2=O)cc1 69843475 RTMKPAQDSWKIAV-UKRRQHHQSA-N 333.432 1.110 0 40 EDAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCC(C)(C)N1CCOCC1 69842770 POOAXMAKKUWCCL-JKSUJKDBSA-N 347.459 1.961 0 40 EDAB Cn1c(SC2Cc3ccccc3C2)nnc1[C@H]1CCS(=O)(=O)C1 69816520 OBWAOXAJNBNFJR-ZDUSSCGKSA-N 349.481 1.977 0 40 EDAB COc1cc(CNC(=O)N2CC[C@@H](N3CCCC3)C2)cc(OC)c1O 66190477 QFJDDVTWERTDHE-CQSZACIVSA-N 349.431 1.789 0 40 EDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408609463 TURBOPONXBZPAN-CYBMUJFWSA-N 340.445 1.765 0 40 EDAB COc1ccc(-c2noc(CSc3nc(N)cc(=O)[nH]3)n2)cc1 18063911 BPALVFRSIGUUPQ-UHFFFAOYSA-N 331.357 1.703 0 40 EDAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)NCc1ccc2c(c1)OCO2 5755301 NWGRBLLOUFMUPJ-NSHDSACASA-N 343.335 1.983 0 40 EDAB C[C@H](NC(=O)CN[C@@H]1CCCN(c2cccnn2)C1)c1cccs1 69929966 CSSKLDKAZBPMKN-UONOGXRCSA-N 345.472 1.974 0 40 EDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2cccc(F)c2)C1 66693719 CNTLVGQWJZRYKP-CZUORRHYSA-N 332.375 1.737 0 40 EDAB Nc1nc(N)nc(COC(=O)Cc2ccc(Br)cc2)n1 6989708 PRSCDAZTDWEHRO-UHFFFAOYSA-N 338.165 1.084 0 40 EDAB CCOc1ccc(OCC)c(NCC(=O)NC(=O)NCCOC)c1 8728134 FWGFWLXGSHAUFG-UHFFFAOYSA-N 339.392 1.368 0 40 EDAB CC(C)(C)OC(=O)N(CCNC(=O)N1CCC[C@@H](CO)C1)C1CC1 67421753 OACONVXEFDVPBR-CYBMUJFWSA-N 341.452 1.800 0 40 EDAB Cn1nccc1C(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C 89642947 NPAUQBXAXWKFTA-VIFPVBQESA-N 330.352 1.105 0 40 EDAB COc1cccc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1 18244894 MQDSOICITXEKFB-UHFFFAOYSA-N 338.319 1.971 0 40 EDAB O=C1CSc2ccc(C(=O)NCCC(=O)N3CCCC3)cc2N1 9112452 LRGCBLXHPRETHF-UHFFFAOYSA-N 333.413 1.473 0 40 EDAB Cn1cc(C[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)nc3)C2)cn1 80784819 HIQACTFVDJEYIF-NSHDSACASA-N 340.836 1.722 0 40 EDAB CCCNC(=O)CNC(=O)COc1ccc(Br)cc1F 7694554 MPURSFAIKVZEQY-UHFFFAOYSA-N 347.184 1.609 0 40 EDAB NC1=Nc2nc3cc4c(cc3n2[C@]2(CCSC2)N1)OCCCO4 7738304 FNHWMJOQYFOSIY-HNNXBMFYSA-N 331.401 1.537 0 40 EDAB NC(=O)Cn1cc2c(n1)[C@H](NC(=O)Nc1ccc(F)cc1)CCC2 96002662 IRQWEMGLXZLBQM-CYBMUJFWSA-N 331.351 1.707 0 40 EDAB C[C@H](Sc1nnc(N)s1)C(=O)NC(=O)NCc1ccccc1 9503489 MEBGBRISBZEBPH-QMMMGPOBSA-N 337.430 1.627 0 40 EDAB Cc1cc(C)n(CC(=O)NCC2(N3CCOCC3)CCCCC2)n1 28575204 GBFDXVXROXUFLI-UHFFFAOYSA-N 334.464 1.651 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccn1)n2CCOC 9318545 YJMYLRZCQDGELK-UHFFFAOYSA-N 343.387 1.395 0 40 EDAB CC(=O)N[C@H](C)c1nc2ccccc2n1CC(=O)NC[C@@H]1CCCO1 9375986 CJLZHIJSRTVIGT-OCCSQVGLSA-N 344.415 1.529 0 40 EDAB CNC(=O)NC(=O)CNC1(c2ccc(Cl)cc2)CCOCC1 71886823 HHQJRCKYBDHFAL-UHFFFAOYSA-N 325.796 1.391 0 40 EDAB CC1CCN(C[C@H](O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 71824991 JGGCOKMXBWOQJC-QFBILLFUSA-N 345.443 1.546 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)c2cn3cccnc3n2)c2ccccc2O1 71888953 KHAJJELBKIMFDG-AWEZNQCLSA-N 338.323 1.310 0 40 EDAB Cn1c(=O)n(CC(=O)Nc2cccc([S@](C)=O)c2)c2ccccc21 71893564 VLBOIAFXCJLBPO-XMMPIXPASA-N 343.408 1.716 0 40 EDAB COc1ccnc(N2CCN(C(=O)Cc3ccn(C(C)C)n3)CC2)n1 71916703 IVNSKMOBENFWSH-UHFFFAOYSA-N 344.419 1.154 0 40 EDAB Cn1c(=O)n(C)c2cc(NC(=O)c3ncoc3[C@@H]3CCCO3)ccc21 71908513 GQNUUTKOYFZQTC-ZDUSSCGKSA-N 342.355 1.969 0 40 EDAB O=C(NCCCn1ccnc1)N1CCCC[C@@H]1CN1CCOCC1 71922287 RSSJUDODKVLUEP-MRXNPFEDSA-N 335.452 1.170 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)N1CCCCC1)c1c(F)cccc1F 71909116 ILXOZHQRJCNPPC-AWEZNQCLSA-N 347.431 1.888 0 40 EDAB COc1c([C@H]2CCCN2CC(=O)Nc2ccncc2)c(C)nn1C 75605388 ZNVLHBHLXFWATR-CQSZACIVSA-N 329.404 1.908 0 40 EDAB CN(C(=O)[C@@H]1CCCN1C(=O)Cc1cn2ccsc2n1)C1CC1 97012318 RXIMNINOKHVUJC-ZDUSSCGKSA-N 332.429 1.550 0 40 EDAB O=S(=O)(Nc1ccc2nncn2c1)c1ccc(C(F)(F)F)nc1 97082370 MKMRXPYPGLJLEU-UHFFFAOYSA-N 343.290 1.944 0 40 EDAB CC[C@H](CO)N1CCN(Cc2cn(C)nc2-c2ccccc2)CC1 97033979 DOHVKOOSNNWWDE-GOSISDBHSA-N 328.460 1.976 0 40 EDAB C[C@H](Cc1ccsc1)N1CCN(C(=O)CN2CCOCC2)CC1 97084272 WOQBKMNITHWMEH-OAHLLOKOSA-N 337.489 1.156 0 40 EDAB O=C(NCCCO)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 97175940 ZBKVKEBVXRBSEP-JTQLQIEISA-N 341.205 1.301 0 40 EDAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(CCO)CCN2CCOCC2)o1 84688891 QSSWRIRMDUOWQZ-JRKQMZJPSA-N 348.443 1.569 0 40 EDAB CCc1oc(C(=O)OC)cc1S(=O)(=O)NCc1c(C)noc1C 95466051 QFGBRQZHJZFXNO-UHFFFAOYSA-N 342.373 1.712 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1ccc(CO)o1 84736342 OIJKXSFRDUSRQJ-CJNGLKHVSA-N 344.477 1.700 0 40 EDAB CC(C)(C)c1cc(NC(=O)Cn2cnnn2)n(Cc2ccccc2)n1 78868713 NMFYAOBYEOWRFM-UHFFFAOYSA-N 339.403 1.854 0 40 EDAB O=C1[C@H](Nc2ccc3nnnn3n2)CCCN1c1ccccc1Cl 78876059 MXNPZQJFPZPHIP-LLVKDONJSA-N 343.778 1.780 0 40 EDAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(O)nn1 28086619 OHSIMNCAGFIBNS-UHFFFAOYSA-N 326.312 1.084 0 40 EDAB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C)CC2)cc1 20121100 PIRSHHVSAMFZPI-MRXNPFEDSA-N 344.463 1.774 0 40 EDAB CC(=O)N[C@](C)(Cc1ccc(OC(C)=O)c(OC(C)=O)c1)C(=O)O 3852310 HAKWNFAAZYTBIV-MRXNPFEDSA-N 337.328 1.059 0 40 EDAB biogenic CN1CCN(C[C@@H](CC(=O)Nc2c(F)cccc2F)C(=O)O)CC1 71280062 OWQBJMXKOCVPMB-LLVKDONJSA-N 341.358 1.242 0 40 EDAB Cc1nnc2ccc(NC[C@@H]3CC(=O)N(C)[C@H]3c3ccncc3)nn12 1553758753 MRJKYQIZFVYNCW-GUYCJALGSA-N 337.387 1.459 0 40 EDAB COCCNC(=O)CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 76955744 RHIBZGFKYOHBKB-UWVGGRQHSA-N 328.771 1.461 0 40 EDAB CC(=O)[C@@H]1CC(C(=O)OCC(=O)N2CCCC2)=NN1c1ccccc1 78557111 XSRPTKHSFIHXTR-INIZCTEOSA-N 343.383 1.376 0 40 EDAB Cc1cc(C(=O)Nc2cc(C(=O)N3CCCC3)cn(C)c2=O)no1 38492549 BEMHTZIQIKSYRS-UHFFFAOYSA-N 330.344 1.170 0 40 EDAB Cn1nc(CNC(=O)c2nc3ncccn3n2)c(Cl)c1Cl 36618808 ZAZJYLQKPNKDRS-UHFFFAOYSA-N 326.147 1.095 0 40 EDAB C[C@@]1(c2[nH]ncc2C(N)=O)CCCN(S(=O)(=O)c2ccccc2)C1 72388850 BLSQUZAXONXUTB-MRXNPFEDSA-N 348.428 1.251 0 40 EDAB Cn1cccc1[C@H]1COCCN1CCn1cnc2ccsc2c1=O 131966817 FQKRVEFMDZHLCO-OAHLLOKOSA-N 344.440 1.870 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)c1cc(NC(=O)C(C)C)n(C)n1 46088991 HOJUQXDBYWKROH-UHFFFAOYSA-N 332.408 1.295 0 40 EDAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCc1ccccn1 9469298 ZEUCSYGHGYKATE-JLHYYAGUSA-N 345.424 1.678 0 40 EDAB COc1cccc(C[C@@]2(c3cccc(OC)c3)NC(N)=NC2=O)c1 71975324 BZMVYKXCNRTJIV-SFHVURJKSA-N 325.368 1.586 0 40 EDAB COc1ccc(-c2nc(C)c(C(=O)NCC(=O)O)s2)cc1OC 40284498 XVTQBVDIFGFYCN-UHFFFAOYSA-N 336.369 1.950 0 40 EDAB CN(C)CCN(C)C(=O)Cc1ccc(I)cc1 190959760 MQVAUSPNMHBEPB-UHFFFAOYSA-N 346.212 1.854 0 40 EDAB COc1cccc(C(=O)NCCCc2cnc3ncnn3c2)c1OC 225642244 HISLMYJUJAJIMB-UHFFFAOYSA-N 341.371 1.504 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(Cc2ccc[nH]2)CC1 190594638 WFHOFEUBJGQBSL-UHFFFAOYSA-N 340.493 1.642 0 40 EDAB COc1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1Cl 225694478 IDHLMHDFMLKUJE-UHFFFAOYSA-N 328.781 1.186 0 40 EDAB CSc1ccc(N2C[C@H](C(=O)NCCn3ccnc3)CC2=O)cc1 43613510 LXFXXDDPPITSBK-CYBMUJFWSA-N 344.440 1.774 0 40 EDAB CN1C(=O)c2ccc(F)cc2O[C@H]2CN(Cc3nccn3C)C[C@H]21 514288661 PGEFIPUSAHPARS-HIFRSBDPSA-N 330.363 1.277 0 40 EDAB biogenic,in-vitro COc1ccc(CCNC(=O)N2CC[C@@H](Oc3cnccn3)C2)cc1 225796667 FVEQFFSWDZNGDU-MRXNPFEDSA-N 342.399 1.891 0 40 EDAB CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2c[nH]c(C(F)(F)F)c2)C1 571825445 OWPGLARRRLAYQS-SECBINFHSA-N 339.339 1.187 0 40 EDAB Cc1ccc(C(=O)N[C@@H](CO)c2ccccc2)c(-n2cnnn2)c1C 575443441 HFWOOPLAKHOLCZ-INIZCTEOSA-N 337.383 1.743 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)cn1 96219193 ZWGLJVJBLSMRBC-RRFJBIMHSA-N 328.372 1.554 0 40 EDAB O=C([C@@H]1CO[C@@H]2CCN(Cc3nccs3)C[C@@H]2C1)N1CCCO1 96205788 DMEWDIMKSIBTMH-MELADBBJSA-N 337.445 1.534 0 40 EDAB COCCC(=O)N1CCC[C@]2(CCC(=O)N2Cc2cccnc2)CC1 96218068 QSLWLZCKLFUFIE-IBGZPJMESA-N 345.443 1.992 0 40 EDAB O=C(CCCc1nc(C2CC2)no1)NCc1nc(-c2ccco2)n[nH]1 96417009 GDFYYNGMXNVDAT-UHFFFAOYSA-N 342.359 1.964 0 40 EDAB CCC[C@H]1CN(Cc2nc(N)nc(N)n2)CCN1Cc1ccccc1 96493218 AZLOUHPLGZILEX-HNNXBMFYSA-N 341.463 1.523 0 40 EDAB Cc1ccc(N2CC[C@@H](N(C)C[C@H]3CCS(=O)(=O)C3)C2=O)cc1 230098416 NUZDACGLWWKXRV-GDBMZVCRSA-N 336.457 1.467 0 40 EDAB Cc1noc(C)c1CN1C[C@@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 96057673 XZKLGASUZKMUNT-USXIJHARSA-N 349.431 1.825 0 40 EDAB Cc1cc(F)c(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)O)cc1F 578298448 NNBCZYMAWLFIPI-LLVKDONJSA-N 349.355 1.526 0 40 EDAB COc1ccc(-c2noc([C@@H](C)NS(C)(=O)=O)c2C(=O)O)cc1 96297036 HEWDAMOOIPCEHW-MRVPVSSYSA-N 340.357 1.659 0 40 EDAB biogenic,in-vitro CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cnc(C)s1 330413665 SZTDSLROAMKSHH-LLVKDONJSA-N 331.463 1.984 0 40 EDAB O=C(C[C@H]1CO[C@@H]2CN(c3ncccn3)C[C@@H]21)NCc1ccco1 96220416 XHDUJXILEYMORR-NWANDNLSSA-N 328.372 1.227 0 40 EDAB CC(C)(CNC(=O)CN1CCCS1(=O)=O)c1ccccc1Cl 96403750 FQLAVYQSODGBDM-UHFFFAOYSA-N 344.864 1.769 0 40 EDAB COc1ccc(CC(=O)N[C@@H]2CCc3nc(C)cn3C2)cc1OC 97199082 TZMHFMHHWCFAAO-CQSZACIVSA-N 329.400 1.882 0 40 EDAB COc1ncccc1CN1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)N2C)C1 96064420 HDSKOCVEODFNJI-SQNIBIBYSA-N 341.459 1.882 0 40 EDAB c1cnc(N2Cc3nccn3C[C@H](COCc3cccnc3)C2)nc1 96066877 NGTGSBZKXXPKIN-INIZCTEOSA-N 336.399 1.921 0 40 EDAB CN(Cc1cnccn1)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 96436651 VJSFUEJAGDGLFV-SFHVURJKSA-N 340.427 1.726 0 40 EDAB CNC(=O)[C@H]1C[C@@H]2CN(C(=O)NCc3ccccc3)C[C@@H]2N1C(C)C 96182712 QSVPHFBWNORQQB-ZACQAIPSSA-N 344.459 1.425 0 40 EDAB COc1ncccc1CN1CC[C@H]2C[C@@H](C(=O)NC(C)C)O[C@@H]2C1 96042886 VEWYCRUHKOMZBX-CWRNSKLLSA-N 333.432 1.594 0 40 EDAB CNS(=O)(=O)c1ccc(NCc2ccccc2-n2ccnc2)nc1 97104634 RSYJFIFUGCSIGY-UHFFFAOYSA-N 343.412 1.788 0 40 EDAB CCCCn1c(C)cn2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 96306403 BXOKVZWHEZXVPR-NSHDSACASA-N 345.403 1.408 0 40 EDAB N[C@]1(CO)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 242425594 BQBRZHSUXSBZFO-GVDBMIGSSA-N 347.392 1.045 0 40 EDAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(S(C)(=O)=O)C3)n1 247866380 IUFZXYNJRHYOFR-ZDUSSCGKSA-N 328.459 1.426 0 40 EDAB O=C(COC[C@@H]1CN(C2CCOCC2)Cc2cncn21)N1CCCC1 247728127 DXWLBDWFBCVQIE-KRWDZBQOSA-N 348.447 1.058 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1C 583616396 NKSHMJONAWMCME-BRWVUGGUSA-N 339.457 1.854 0 40 EDAB O=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@@]1(O)CCSC1 583622907 DEYBXUZTRVPQIO-SLEUVZQESA-N 344.477 1.645 0 40 EDAB COCC(=O)N1CCC[C@@H](Cc2cncc(-c3cnc(C)n3C)n2)C1 257293647 QQNXXIJHJDJTNB-AWEZNQCLSA-N 343.431 1.613 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](c2cccc(N3CCOC3=O)n2)C1 257343750 ZUGRKFQFUBFNML-LLVKDONJSA-N 325.390 1.177 0 40 EDAB Cn1ccc2cc([C@H](O)CNC(=O)C(=O)NC3CCCC3)ccc21 252489706 JXSXIOQCRCQVQP-MRXNPFEDSA-N 329.400 1.387 0 40 EDAB Cn1ccnc1-c1cnc(C[C@H]2CCN(C(=O)c3ccncc3)C2)cn1 257337622 YTOZSVZKIDPYSU-CQSZACIVSA-N 348.410 1.977 0 40 EDAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2ccn(C)n2)ccn1 257339150 ZAKCAKITWAHKDG-INIZCTEOSA-N 327.388 1.429 0 40 EDAB Cc1ncc(CNC(=O)Cn2cc(Cl)cn2)c([C@H]2CCCN2C)n1 257207185 BGRWPBUWSZMVOP-CQSZACIVSA-N 348.838 1.718 0 40 EDAB COc1ncccc1C(=O)NCc1nccnc1C1CCN(C)CC1 257343334 ZSMCWNOLGWJABW-UHFFFAOYSA-N 341.415 1.619 0 40 EDAB CC(=O)NCc1cccc([C@H]2CCCN2CC(=O)N2CCCCC2)n1 257308589 TXHNAXSLUAQPNQ-GOSISDBHSA-N 344.459 1.867 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N1CCC2(CC(Nc3ccncn3)C2)C1 257262939 LNSCMHCTBYAUNX-CSLYMUCUSA-N 343.431 1.281 0 40 EDAB C[C@H]1COCC[C@@H]1S(=O)(=O)NCc1ccccc1Cn1cccn1 585084137 CRXNLBIKUVVGGV-YOEHRIQHSA-N 349.456 1.776 0 40 EDAB CNC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)nn1 585129760 VCJLBOLVBRWJSL-UHFFFAOYSA-N 334.401 1.562 0 40 EDAB COc1cc(C(=O)NC(C)(C)C(=O)NCC2CCCC2)sn1 585123548 VMLIMYIGOHSFGE-UHFFFAOYSA-N 325.434 1.967 0 40 EDAB CN(c1nc2ccccc2o1)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 585128925 RDHMISGNRRIJOE-LLVKDONJSA-N 348.384 1.811 0 40 EDAB CC(=O)N[C@@]12CN(C(C)=O)CC[C@@H]1[C@@H](c1ccccc1)N(C(C)=O)C2 257208342 BLTSACANGSRSBF-GUDVDZBRSA-N 343.427 1.333 0 40 EDAB CCCn1cc(CN2CCOC[C@@H](Cc3cc(O)ncn3)C2)cn1 257310582 UFTJSZKTLPRHQT-AWEZNQCLSA-N 331.420 1.480 0 40 EDAB CCc1nccn1CC(=O)N1CCOC[C@H]1CCc1cnccn1 257289122 PXAVFCPFOIWRSZ-OAHLLOKOSA-N 329.404 1.096 0 40 EDAB O=C(N1CCCC1)[C@@]1(c2cnccn2)CCCN1Cc1ncc[nH]1 257220962 DMYXJWZUSDFWKX-KRWDZBQOSA-N 326.404 1.313 0 40 EDAB CC(C)c1nnsc1C(=O)N1CCOC[C@@H](Cc2ccncn2)C1 257321245 WAUWMZNIBKMFEH-LBPRGKRZSA-N 347.444 1.783 0 40 EDAB O=C(N[C@@H]1CCCNC1=O)c1cncc(Cc2cccc(F)c2)c1 257282306 OTFXOVFMOYMIQA-MRXNPFEDSA-N 327.359 1.820 0 40 EDAB C[C@]1(NS(=O)(=O)c2cccc3cccnc23)CCS(=O)(=O)C1 265183783 GBTXJXOYQVOHJC-AWEZNQCLSA-N 340.426 1.090 0 40 EDAB COCCOc1ccc(NC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)cc1F 282836250 VXIBFHHOMYCHIE-HZMBPMFUSA-N 339.367 1.497 0 40 EDAB Cc1cncn(CCNS(=O)(=O)c2ccc(F)c(Cl)c2)c1=O 96119206 NFCSXMHYJVPRTN-UHFFFAOYSA-N 345.783 1.323 0 40 EDAB CC(C)OC(=O)N1CC[C@H](S(=O)(=O)c2cccc(C(N)=O)c2)C1 390822807 KHQPCALQMWLFOP-ZDUSSCGKSA-N 340.401 1.179 0 40 EDAB COCCc1cnc2n1CCN(S(=O)(=O)c1cccnc1)[C@H]2C 585098680 WVWXENZORUEOIR-LBPRGKRZSA-N 336.417 1.233 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CC(F)(F)C2)C1 585095877 RFKJJGOVSXGFDF-WXHSDQCUSA-N 338.358 1.290 0 40 EDAB COc1cccc(-n2cc(NC(=O)[C@H](C)OC[C@@H]3CCCO3)nn2)c1 585140848 LQMAFAMCLBQDEH-WFASDCNBSA-N 346.387 1.799 0 40 EDAB Cc1ccccc1/C=C/C(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1 827911086 BIYJOGSJOZRTFN-BQYQJAHWSA-N 341.411 1.893 0 40 EDAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 44718578 SPJMSUDDCQIBMW-NWDGAFQWSA-N 345.848 1.967 0 40 EDAB C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccn1 45560126 COONNCMRPUCCLA-NSHDSACASA-N 334.401 1.289 0 40 EDAB CCN(CC)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 48173404 BQIFGXIBRHCIRS-GFCCVEGCSA-N 326.422 1.236 0 40 EDAB COc1ccc(Cl)c(NCC(=O)NCC(=O)N2CCCC2)c1 58196539 LZMMQCCZODUZKI-UHFFFAOYSA-N 325.796 1.499 0 40 EDAB O=S(=O)(Cc1cc(F)ccc1F)N1CC(OC[C@@H]2CCOC2)C1 1565522137 BVCHPYBLPFXZGZ-LLVKDONJSA-N 347.383 1.532 0 40 EDAB O=C(c1cncc(Br)c1)N1CC[C@@](O)(C(F)(F)F)C1 98013086 OUBADNIESCAZRG-JTQLQIEISA-N 339.111 1.983 0 40 EDAB Cc1cc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)no1 1206817518 NUWRVURCWTZOBG-GJZGRUSLSA-N 347.440 1.736 0 40 EDAB CCc1nn(CC(=O)NC2CC2)c(=O)c2cc3sc(C)cc3n12 12115396 DAXYYDUKJOZDIZ-UHFFFAOYSA-N 330.413 1.860 0 40 EDAB CC(C)CCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234210 XCGGWJCPLQAULF-UHFFFAOYSA-N 345.378 1.705 0 40 EDAB Cc1cc(C(=O)N2CCc3nc(-c4cnccn4)nc(O)c3C2)on1 13225899 AOXGKAQBOJIWFS-UHFFFAOYSA-N 338.327 1.134 0 40 EDAB Cc1ccccc1-c1ccc(N2CCN(S(C)(=O)=O)CC2)nn1 13663814 QCODXACTXYAXHS-UHFFFAOYSA-N 332.429 1.534 0 40 EDAB COc1ccc2c(c1)CN(C(=O)[C@@H](C)N)C[C@]1(CCCN(C)CC1)O2 12365988 URFXQMZFAOMRKB-AUUYWEPGSA-N 347.459 1.618 0 40 EDAB Cc1cc([C@H]2CCCN2C(=O)c2ccc(OCC(N)=O)cc2)no1 29243204 YOKYWJFIWUIVOZ-OAHLLOKOSA-N 329.356 1.824 0 40 EDAB CC(C)(C)c1ccc(OC[C@@H]2CCN(S(=O)(=O)C3CC3)C2)nn1 1888854728 YWOLCIRTRMTRKA-GFCCVEGCSA-N 339.461 1.967 0 40 EDAB CCc1ncnc(N2CCN(c3ccc4nc(C)cn4n3)CC2)c1F 1888882051 FQFPNSGITPDEJL-UHFFFAOYSA-N 341.394 1.856 0 40 EDAB O=C1[C@H]2CN(c3ncnc4cnccc34)C[C@@H]2C(=O)N1c1ccccc1 1888890974 BRFCYMBSAAGJQQ-GJZGRUSLSA-N 345.362 1.651 0 40 EDAB Cc1nnc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)n1C 1849317204 GGPYRMIGZLYRFO-UHFFFAOYSA-N 335.843 1.668 0 40 EDAB Cc1csc(=O)n1CCC(=O)N1CCN(Cc2ccccn2)CC1 33237596 XOKXJPOHYXCVBT-UHFFFAOYSA-N 346.456 1.348 0 40 EDAB Cn1nc(-c2cnccn2)cc1CNC(=O)NCc1cccs1 245053452 OVGXAMJPGOJYEP-UHFFFAOYSA-N 328.401 1.938 0 40 EDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(OC[C@H]2CCOC2)C1 1565523602 RQEIHXHECJGCRU-OLZOCXBDSA-N 349.383 1.447 0 40 EDAB Cc1nc(C(=O)N2C[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)cs1 1565548470 DQXPXWYOSHMJEQ-GXTWGEPZSA-N 345.428 1.219 0 40 EDAB COc1cccc(CN2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@@H]3C2)c1 2055729693 WQAVXTQLCSIQGB-JCGIZDLHSA-N 330.428 1.953 0 40 EDAB Cc1nnsc1C(=O)NC1CN(c2ncnc3ccsc23)C1 1775979010 XPDSDWMURJWOGD-UHFFFAOYSA-N 332.414 1.470 0 40 EDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1cccnc1 38531286 RMADUWGYZSHBDN-AWEZNQCLSA-N 348.428 1.436 0 40 EDAB CCCc1nnsc1C(=O)N1CCC[C@@H](Oc2cnccn2)C1 225471839 LFYFVXBCCKLWKK-LLVKDONJSA-N 333.417 1.964 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N[C@H]1CCC12CCOCC2 585409440 SEKMHWSJNXWCCJ-HNNXBMFYSA-N 327.384 1.472 0 40 EDAB COc1cccc(CNC(=O)C(=O)NC[C@@](C)(O)c2cccs2)c1 75155941 XEQYOGNBKRATKB-QGZVFWFLSA-N 348.424 1.397 0 40 EDAB CCOc1ncccc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 30307663 SNTJRHAQTSALKI-CQSZACIVSA-N 343.383 1.738 0 40 EDAB C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1nnc2ccccn12 40468723 OYZWVGHYBPSSLX-JTQLQIEISA-N 337.339 1.551 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)N3C[C@@H](C)OC[C@H]3C)ccc21 40499008 PPUITQZODYSLGK-VXGBXAGGSA-N 329.400 1.974 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)NCc1cccnc1N(C)C 40534600 XJNYAPGGBRWPIZ-UHFFFAOYSA-N 347.440 1.871 0 40 EDAB NC(=O)c1ccc(-c2nnn(C[C@@H](O)c3ccc(F)c(F)c3)n2)cc1 51289239 LRUYSVZDNBQPFK-CQSZACIVSA-N 345.309 1.451 0 40 EDAB CCOC(=O)c1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1 206342 XCIAFVBNHQVBQD-UHFFFAOYSA-N 327.340 1.205 0 40 EDAB CCN(CC)CCNc1nc(NCCN(CC)CC)c2cn[nH]c2n1 4353495 VZPNDTMDPLZXTO-UHFFFAOYSA-N 348.499 1.860 0 40 EDAB O=C1C=C(Nc2ccc(OCCO)cc2)C(=O)N1Cc1ccco1 11613099 SBPFYCFAHBFWKD-UHFFFAOYSA-N 328.324 1.516 0 40 EDAB Cc1csc(NC(=O)CCNC(=O)[C@H]2COc3ccccc3O2)n1 20724840 OGWFGYFGGGQVEW-CYBMUJFWSA-N 347.396 1.736 0 40 EDAB CC[C@@H](CNC(=O)CCn1cncn1)N1CCc2ccccc2C1 46246523 UWWOTRHFWNVEAV-KRWDZBQOSA-N 327.432 1.621 0 40 EDAB COc1cccc([C@@H](NC(=O)c2cnn(C)c2C)c2nccn2C)c1 29987240 NIKZFFQJSHDCBA-MRXNPFEDSA-N 339.399 1.990 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)cn2)cc1 9468353 CLQRLQFKQFMWNX-GFCCVEGCSA-N 349.412 1.704 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)nc1 32934149 FTYCDNKNNNFOBW-CYBMUJFWSA-N 338.433 1.044 0 40 EDAB COc1ccccc1/C=C/[C@@H]1NC(=O)c2ccccc2N1CC(N)=O 32907237 KFFGVSZMEPIQLW-DOJUMQAQSA-N 337.379 1.770 0 40 EDAB Cc1noc(CCCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)n1 32922013 WIHCENDIKDLIJL-UHFFFAOYSA-N 347.400 1.657 0 40 EDAB O=C(c1csnn1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 41687900 HLFMUBHFRIREQJ-UHFFFAOYSA-N 346.412 1.267 0 40 EDAB Cn1nccc1C(=O)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C 89642946 NPAUQBXAXWKFTA-SECBINFHSA-N 330.352 1.105 0 40 EDAB NC(=O)c1cccnc1N1CCN(Cc2ccc3c(c2)CCO3)CC1 22977207 XDSSFYRSXYJIOM-UHFFFAOYSA-N 338.411 1.438 0 40 EDAB Cc1cc(N2CC[C@@H](n3nc(-c4cccs4)oc3=O)C2=O)n(C)n1 104368987 PUXYVTLFCHYIFK-SNVBAGLBSA-N 345.384 1.585 0 40 EDAB CC(C)CN1C[C@@H](C(=O)NCc2nncn2-c2ccccc2)CC1=O 42496481 NMJFFBJJMFRFOR-AWEZNQCLSA-N 341.415 1.388 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)c1cc(Cl)c2c(c1)OCO2 42749708 INHIAFIIHLEQBJ-UHFFFAOYSA-N 334.763 1.879 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)N2CCC(C(N)=O)CC2)CC1=O 23979656 KUWJCMGJLKHKLI-OAHLLOKOSA-N 343.427 1.326 0 40 EDAB CCc1nnc2n1CCN(CC(=O)N1c3ccccc3C[C@@H]1C)C2 69487661 QNSVNPWJJFHVAG-ZDUSSCGKSA-N 325.416 1.634 0 40 EDAB Nc1nnc(S[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)s1 20798891 YNFVBFNRHJBGTB-MRVPVSSYSA-N 342.352 1.823 0 40 EDAB CN1CCO[C@@H](CNC[C@@H](O)COc2ccc(Cl)cc2Cl)C1 106908592 GPCOZDJLKWBIIT-OLZOCXBDSA-N 349.258 1.653 0 40 EDAB C[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)C[C@@H](C)O1 25413884 CWYHOEDSCRYOLM-XQQFMLRXSA-N 340.445 1.526 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@@H](C(C)C)n3cncn3)CC2)nn1 69493398 CRDIZJHUMVSNKO-MRXNPFEDSA-N 343.435 1.313 0 40 EDAB Cc1cc(CN2CCN(CC(=O)Nc3nc(C)cs3)CC2)on1 26910480 CJZHVIPJOKCDIE-UHFFFAOYSA-N 335.433 1.504 0 40 EDAB O=C(CN1CCCCCC1=O)Nc1ccccc1C(=O)NC1CC1 26991649 SOLPZJQILXMAIA-UHFFFAOYSA-N 329.400 1.920 0 40 EDAB COc1ccnc(N2CCN(Cc3noc(C(C)(C)C)n3)CC2)n1 58180440 QMUJZLBJZBEHSS-UHFFFAOYSA-N 332.408 1.488 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc2oc(N3CCOCC3)nc2c1 3358651 OWWGXVUALJWPJW-UHFFFAOYSA-N 339.417 1.695 0 40 EDAB NC(=O)c1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)nc1 58202268 DOSJSZAUNCUDBQ-UHFFFAOYSA-N 325.372 1.106 0 40 EDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc2ncccc12 58201422 DUMSGVPSKGBESV-CQSZACIVSA-N 333.413 1.524 0 40 EDAB C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1ccnc1 44903897 LJKINQRNWHEINB-CQSZACIVSA-N 342.399 1.517 0 40 EDAB NC(=O)CC1CCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1 44970628 VPBPWYJAFBXTCP-UHFFFAOYSA-N 349.387 1.091 0 40 EDAB COc1cc(NC(=O)c2ccc[nH]c2=O)c(C(=O)N(C)C)cc1OC 58393029 ORLXAFYPXVDAME-UHFFFAOYSA-N 345.355 1.346 0 40 EDAB CSCc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 58406077 JQACMTNIZBUHKA-UHFFFAOYSA-N 333.413 1.364 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C/c1ccncc1 70005957 AJHSDAWOTQRNSM-MOEXGYKKSA-N 330.432 1.154 0 40 EDAB Cc1cc(CN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)no1 48332177 ZDELZMQVCTVMAJ-UHFFFAOYSA-N 349.435 1.734 0 40 EDAB Cc1cc(C)n2ncc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)c2n1 48304008 MWNANSYJZPXXAS-UHFFFAOYSA-N 334.343 1.779 0 40 EDAB CN(C)C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 8428053 FMYCIMMVUYKPAF-UHFFFAOYSA-N 329.447 1.046 0 40 EDAB O=C(CCNC(=O)c1cccs1)NCCc1ccc2c(c1)OCO2 12878216 LBKWKJMWKXAORC-UHFFFAOYSA-N 346.408 1.956 0 40 EDAB Cn1cccc1C(=O)NCCNC(=O)c1csc(-c2ccco2)n1 12824924 QMMLQQGVDRVZSS-UHFFFAOYSA-N 344.396 1.901 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(S(C)(=O)=O)cc1 3413820 SYRKKBUMXHFKRV-ZDUSSCGKSA-N 327.402 1.408 0 40 EDAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccsc1C(=O)O 12916193 NQKJCPSRPBQXEL-UHFFFAOYSA-N 340.382 1.370 0 40 EDAB CCOC(=O)c1cnc2c(cnn2C)c1O[C@@H](CN)C(F)(F)F 4024733 TUXFAFXUSUWJCW-VIFPVBQESA-N 332.282 1.413 0 40 EDAB CC(C)OCCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 8883786 VIBITQWOUQPSPP-UHFFFAOYSA-N 340.445 1.771 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N[C@@H]1CCc2nc(C)nn2C1 69654969 HNWWIXAPRRYEKH-OUCADQQQSA-N 345.451 1.686 0 40 EDAB C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 69768946 KUNIJRQBQGZGQC-NHYWBVRUSA-N 337.370 1.449 0 40 EDAB COCc1cccc(N[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 65435140 ACTOVCJGVCJXMI-IUODEOHRSA-N 340.445 1.279 0 40 EDAB CC1CCN([C@@H](CNC(=O)C2=NNC(=O)CC2)c2cccs2)CC1 65608106 ASMVDJKBMXXGAC-AWEZNQCLSA-N 348.472 1.903 0 40 EDAB COc1ccccc1CCNC(=O)CN1C(=O)CC2(CCCC2)C1=O 14242565 KDSUIHUOZYRLTB-UHFFFAOYSA-N 344.411 1.673 0 40 EDAB CC(C)NC(=O)NC(=O)CN1CCC(C(=O)c2ccccc2)CC1 14320485 TYOCXQZAJQNQFE-UHFFFAOYSA-N 331.416 1.816 0 40 EDAB COc1cc(OC)c(C2=NO[C@H]3[C@@H](OC)O[C@@H](OC)[C@H]23)c(OC)c1 4666887 ZCDCZGUJYGSULM-MIGQKNRLSA-N 339.344 1.407 0 40 EDAB C[C@H]1CCc2sc3nc(NCCOCCO)n4ncnc4c3c2C1 5576408 MTQQGYYAKHKXCS-JTQLQIEISA-N 347.444 1.885 0 40 EDAB Cc1cc2c(Cc3n[nH]cc3-c3cccs3)n[nH]c(=O)c2c(=O)[nH]1 6668315 XABILBWEKCPKRB-UHFFFAOYSA-N 339.380 1.962 0 40 EDAB CCOCCO[C@H](C)C(=O)NS(=O)(=O)c1ccc(F)cc1F 69809053 KWEPMKRJGAMKEJ-SECBINFHSA-N 337.344 1.211 0 40 EDAB Cc1ncncc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69950659 HQZZCUXEEJFPSB-KRWDZBQOSA-N 326.400 1.276 0 40 EDAB CN(C)c1cc(C(F)(F)F)nc(N2CCC(NC(N)=O)CC2)n1 80230235 PAFQKLABWMIGFX-UHFFFAOYSA-N 332.330 1.199 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 67611553 RMBICIXZIKUVQB-CABCVRRESA-N 337.445 1.266 0 40 EDAB Cn1cc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)c(C(C)(C)C)n1 92813559 GPIITRRTIPKKRT-UHFFFAOYSA-N 336.417 1.768 0 40 EDAB CC(C)NC(=O)CN1CCN(C(=S)NCCc2ccccc2)CC1 21781147 YMZVJIAUXXNRBT-UHFFFAOYSA-N 348.516 1.246 0 40 EDAB COc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C 71287649 WRVLRMQEOLLZBI-UONOGXRCSA-N 346.383 1.883 0 40 EDAB NC(=O)N1CCC[C@H](Nc2nc(-c3cccnc3)nc3c2CCC3)C1 96011317 NPIKDSALIYSFAB-ZDUSSCGKSA-N 338.415 1.982 0 40 EDAB CCOC(=O)c1cnn(CC(=O)Nc2cc(C)on2)c1C(F)F 71804121 QRIWWGZWOKIEOY-UHFFFAOYSA-N 328.275 1.933 0 40 EDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1cnn(-c2ccccc2)c1 71857649 OAHPDFJKDSRZEL-RDJZCZTQSA-N 343.383 1.883 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(Cc3ccsc3)CC2)cn1 71841296 PUGDQHYDVGJKQH-HOTGVXAUSA-N 330.457 1.930 0 40 EDAB O=S(=O)(CCNC[C@@H]1CCCN1c1cccnn1)c1ccccc1 71859830 PYLHPCXXKPEEPE-HNNXBMFYSA-N 346.456 1.509 0 40 EDAB COCCOc1ccc(F)cc1NC(=O)N(C)CC(=O)NC(C)C 71793559 KGAIJPAUBXTJFY-UHFFFAOYSA-N 341.383 1.839 0 40 EDAB Cc1cccc(C(=O)N[C@@H](C(=O)NCc2ccc(=O)[nH]c2)C(C)C)c1 71911490 MWBVYKWXLOASBO-QGZVFWFLSA-N 341.411 1.754 0 40 EDAB COc1ccc2cc(C(=O)OCCCS(N)(=O)=O)c(C)nc2c1 71914300 CXVZGFIDXFAYBV-UHFFFAOYSA-N 338.385 1.387 0 40 EDAB COC(=O)Nc1ccccc1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 71903725 VBHHEHCUAGEJNF-CQSZACIVSA-N 349.431 1.952 0 40 EDAB Fc1ccc(OCCN2CCO[C@@H](CNc3cccnn3)C2)cc1 76049826 WAXPNRTZQHWUAA-INIZCTEOSA-N 332.379 1.807 0 40 EDAB Cc1cccc2c(CCNC(=O)NCc3nnnn3C3CC3)c[nH]c12 76207029 OKITZIUMWAVNSO-UHFFFAOYSA-N 339.403 1.840 0 40 EDAB C[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)[C@H](C)n1cccn1 84139598 KLGAKIAUADDGSV-STQMWFEESA-N 327.388 1.408 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1cc2c([nH]c1=O)CCCCC2 72291312 ZKJKRJFMKDPPBW-ZDUSSCGKSA-N 326.400 1.585 0 40 EDAB NCCCN1C(=O)CC[C@H]2CN(c3ncnc4sccc34)CC[C@H]21 72462920 HVATXEVKEIPVCS-GXTWGEPZSA-N 345.472 1.857 0 40 EDAB Cc1nn(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C)C3)cn2)c(C)c1Cl 72403981 KPCJSMOPESOATJ-LLVKDONJSA-N 347.806 1.954 0 40 EDAB O=C(NCc1cn2ccsc2n1)N[C@H]1c2ccccc2C[C@H]1O 78983634 QFKPAADBEMBEFN-KGLIPLIRSA-N 328.397 1.853 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1 95399007 GTQWMQOAJJYZGU-QGZVFWFLSA-N 349.431 1.436 0 40 EDAB O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)Cc1cccnc1 95394673 BQRMJJFJYFPKKC-MRXNPFEDSA-N 341.436 1.842 0 40 EDAB Cc1nn(C)c(C)c1OCc1nc(CNC(=O)c2ccccc2)no1 95411991 IPWNUIFIDVYNPJ-UHFFFAOYSA-N 341.371 1.929 0 40 EDAB CN1CCN(c2ncc(CNCCNc3ccccc3)cn2)CC1 95416707 VUOWPSVVNFKENJ-UHFFFAOYSA-N 326.448 1.430 0 40 EDAB Cc1cc([C@@H]2CCCN(Cc3cc(=O)n4nc(C)sc4n3)C2)n[nH]1 95402735 ZTJYSHIYNCVCFT-GFCCVEGCSA-N 344.444 1.871 0 40 EDAB CN1C(=O)C[C@H](NC(=O)Cc2cccnc2)[C@@H]1c1ccc(F)cc1 95440501 YCSXIOCKFRODGV-YJBOKZPZSA-N 327.359 1.851 0 40 EDAB NC(=O)[C@@H]1CCCN1Cc1ccc(I)cc1 88185151 AIEJRJWEUDIDRE-NSHDSACASA-N 330.169 1.741 0 40 EDAB CCn1nc(C)c(S(=O)(=O)NCCc2nc(C)oc2C)c1C 89300233 FOUYHXRHZRYZRA-UHFFFAOYSA-N 326.422 1.646 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1 89448672 RYJVELXTRWWYII-HNNXBMFYSA-N 341.455 1.530 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CC2)cc1Cl 408611968 XPOPZBPCXCYQSE-VIFPVBQESA-N 346.836 1.684 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 408620956 KTULYKNSCVSYDX-YRWVIOBZSA-N 337.331 1.609 0 40 EDAB Cn1nc2c(c1NC(=O)C1(n3cnnn3)CCCCC1)CSC2 61717470 QYXYYDONCNHYEX-UHFFFAOYSA-N 333.421 1.452 0 40 EDAB CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccc4oc(O)nc4c3)C[C@H]2C1 1009789672 YSPLEYBFPIDNKH-BFHYXJOUSA-N 343.383 1.910 0 40 EDAB Cn1ccc(NC(=O)CCCn2c(O)nc3ccccc3c2=O)n1 524733525 RIMIQDCWSQPQMF-UHFFFAOYSA-N 327.344 1.255 0 40 EDAB O=C(C[C@H](c1ccsc1)n1cccc1)N[C@H]1CCS(=O)(=O)C1 524733602 XZUZDHXXDRKOIK-UONOGXRCSA-N 338.454 1.832 0 40 EDAB CCOC[C@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O 218567571 WNOZISMGSKYKKF-DYEKYZERSA-N 331.434 1.645 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2ccnc(Cl)n2)[C@@H](C(=O)O)C1 72203524 MBAXXDAWQXLQIM-SECBINFHSA-N 342.783 1.640 0 40 EDAB O=C(NCCCn1ccnn1)N[C@@H]1CCO[C@H](c2ccccc2)C1 128154003 DABFKUXHLZCACM-CVEARBPZSA-N 329.404 1.888 0 40 EDAB O=C(Nc1ccc[nH]c1=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 78718503 KXQYEMNGGAIFHQ-AWEZNQCLSA-N 325.368 1.866 0 40 EDAB O=c1[nH]c(N2CCCCC2)nc2c1CCN(C[C@H]1CCC=CO1)C2 72335536 DXQRGQLGSSHBQR-CQSZACIVSA-N 330.432 1.811 0 40 EDAB Cc1cccc(NC(=O)Cn2c(=O)c3nncn3c3ccccc32)c1 64871385 RXNAMLPXINWAJO-UHFFFAOYSA-N 333.351 1.991 0 40 EDAB C[C@H]1Oc2ccc(S(=O)(=O)NCCc3ccccc3)cc2NC1=O 71542769 HUBRJLNLZSTUML-GFCCVEGCSA-N 346.408 1.927 0 40 EDAB COCCOc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)cn1 225925608 YMXJSVWNRYRIPU-UHFFFAOYSA-N 347.415 1.694 0 40 EDAB O=C(Nc1ncn(Cc2ccccc2)n1)NC1CCC(C(=O)O)CC1 569215243 MQELZOVJCCBQJB-UHFFFAOYSA-N 343.387 2.091 0 40 EDAB O=C(NCCn1cnc2sccc2c1=O)c1cc(C2CC2)on1 225810243 QYUFFJSEEMYRNV-UHFFFAOYSA-N 330.369 1.753 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 572100548 FFJFSMMRQBXUHO-DCGLDWPTSA-N 349.383 1.697 0 40 EDAB CO[C@@H](C)c1nc(CNC(=O)N[C@@H]2CCc3c[nH]nc3C2)cs1 332910993 JRQQYRDDYQTFGP-GXSJLCMTSA-N 335.433 1.930 0 40 EDAB CN(C)C(=O)CNC(=O)c1ccc2ccc(N(C)CC3CC3)n2c1 96146146 XVGIADTZFJYLBO-UHFFFAOYSA-N 328.416 1.604 0 40 EDAB COc1ncccc1CN1C[C@H](N2CCN(C)CC2)[C@@H]2OCCC[C@@H]21 96185820 WYFFVRZFLATUHI-OKZBNKHCSA-N 346.475 1.069 0 40 EDAB CC(C)NC(=O)N1CCOC[C@]2(C[C@H](CNc3ccccn3)CO2)C1 96240471 QXEBQERSMXHXLR-QAPCUYQASA-N 348.447 1.719 0 40 EDAB CC1(C)[C@H]2CN(CC(=O)Nc3cc(-n4cnnn4)ccc3Cl)C[C@H]21 96473669 VSNKFEBSDWCMHG-TXEJJXNPSA-N 346.822 1.842 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C[C@@H]1CCCO1 96422432 QDYGOCLIFKXZRF-AEFFLSMTSA-N 331.460 1.882 0 40 EDAB COc1ccc(C(=O)N2CC[C@H]3C(=O)NCCO[C@H]3C2)cc1Cl 96205847 QRHJFHYSFFDYFW-RISCZKNCSA-N 338.791 1.326 0 40 EDAB CCNC(=O)N[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@@H]1OC 96412966 DEKRONOASCMDAD-SJORKVTESA-N 328.416 1.753 0 40 EDAB CN(C)[C@@H]1CCN(C(=O)Cc2cccs2)[C@H]1Cc1cnn(C)c1 96200919 RATYLMYYLSLCIG-CVEARBPZSA-N 332.473 1.798 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(CCCn2ccnc2)CC1 96493060 XTAKQKLRPPATRB-UHFFFAOYSA-N 331.420 1.265 0 40 EDAB O=C([C@H]1CCCO1)N1CCO[C@@H]2C[C@H](COCc3ccccn3)C[C@H]21 96082935 IMMXWZYWYJJFHR-VDHUWJSZSA-N 346.427 1.783 0 40 EDAB CCOC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cncn2C1 96207241 NLJZXUCLUYLSQZ-ZDUSSCGKSA-N 343.383 1.921 0 40 EDAB Cc1cc(CN2CC[C@H]3C[C@@H](C(=O)NCc4ccco4)O[C@@H]3C2)no1 96043022 DWBQJTYSIFWFLA-RRQGHBQHSA-N 345.399 1.872 0 40 EDAB FC(F)(F)c1nc(N2CCO[C@@]3(CCCOC3)C2)c2nc[nH]c2n1 583016443 XDASNEPZZKLRPQ-ZDUSSCGKSA-N 343.309 1.758 0 40 EDAB c1cc(N2CCOCC2)nc([C@H]2COCCN2Cc2ccsc2)n1 96219509 GBHWWFPVZYALJV-OAHLLOKOSA-N 346.456 1.948 0 40 EDAB O=C(C1CCOCC1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 247839331 DZLQXHPVEXOWPP-OAHLLOKOSA-N 334.441 1.974 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21 247726711 DYCPQEFSJGXSHE-HNNXBMFYSA-N 340.383 1.447 0 40 EDAB C[C@H]1COCC[C@@H]1S(=O)(=O)NCc1noc(-c2cccs2)n1 583651528 NWFFIVMTLJVGCN-ONGXEEELSA-N 343.430 1.643 0 40 EDAB CCN1CCO[C@@H](CN=c2cc[nH]cc2C(N)=O)[C@@H]1c1ccccc1 583617506 HEJBSSUELSWLEG-ROUUACIJSA-N 340.427 1.476 0 40 EDAB O=C(c1ccsc1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 247851217 IVAYVZIBOHOVAO-CYBMUJFWSA-N 331.397 1.991 0 40 EDAB Cc1ccnc([C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1 257342621 ZPLOTBBUVTVOBQ-MRXNPFEDSA-N 347.440 1.762 0 40 EDAB Cc1cccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccc(C(=O)O)cc3)C2)c1 257299627 RQVISCFNWFGZNX-IAGOWNOFSA-N 341.363 1.958 0 40 EDAB Cc1cc(C(=O)N2CCO[C@@H](c3cnccn3)C2)c2c(C)noc2n1 257256882 KNHGMGCSXCOVPP-CQSZACIVSA-N 339.355 1.843 0 40 EDAB COCCN1C(=O)C[C@@H](C(=O)NCC2CC2)[C@@H]1c1ccccc1OC 257229340 FXSQBAMVCBSGPJ-QAPCUYQASA-N 346.427 1.757 0 40 EDAB Cn1cncc1C(=O)N[C@@H](Cc1ccncc1)C(=O)OC(C)(C)C 585090908 ZHIGPJLNIPAVHM-ZDUSSCGKSA-N 330.388 1.498 0 40 EDAB COC(=O)CS(=O)(=O)C1CCN(C(=O)Nc2ccccc2)CC1 253472390 LZPQNSAPLCCORD-UHFFFAOYSA-N 340.401 1.271 0 40 EDAB CC1(C)CNC(=O)[C@@H]1OC(=O)c1cc(S(C)(=O)=O)ccc1Cl 585136132 SAHPGYZYMAACFW-NSHDSACASA-N 345.804 1.425 0 40 EDAB Cc1cc(N[C@@H](CO)[C@@H](O)c2ccc(Cl)cc2)n2ncnc2n1 585132773 URCNIZMMEQTASH-JSGCOSHPSA-N 333.779 1.593 0 40 EDAB Cc1cnc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)cn1 257337316 YSHUHKMOBCXLCR-SJLPKXTDSA-N 345.374 1.969 0 40 EDAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@H](C)C(=O)O 263537748 ANSXSLRDHUQCJV-QMMMGPOBSA-N 332.278 1.946 0 40 EDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)s1 260801484 ZMOJCXDXULTEBR-GUBZILKMSA-N 344.462 1.600 0 40 EDAB COCC1(O)CN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 1615627099 UGLIYELFFKLINK-UHFFFAOYSA-N 334.347 1.633 0 40 EDAB CCc1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(F)c3)C2)no1 606997124 WFBSICOHGVOFTH-AWEZNQCLSA-N 347.346 1.915 0 40 EDAB CC(=O)N(C)c1ccc(NC(=O)N2CCC[C@@H]3C(=O)N(C)C[C@@H]32)cn1 1615041317 RLXGNILUWFLDCR-KBPBESRZSA-N 345.403 1.149 0 40 EDAB O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc3nn[nH]c3c2)c2ccccc21 390834627 JBFBFASUKCYJES-LLVKDONJSA-N 344.352 1.335 0 40 EDAB CNC(=O)C[C@H]1CN(Cc2cccnc2OC)Cc2cccn2C1 585099221 WALRYTIUNRDZAJ-AWEZNQCLSA-N 328.416 1.660 0 40 EDAB CCS(=O)(=O)NC[C@H]1CN(Cc2cccc(C)n2)Cc2ccnn21 585111881 IDSUJUPCSOTFIO-INIZCTEOSA-N 349.460 1.083 0 40 EDAB CN(C)C[C@]1(O)CCCN(CCC(=O)Nc2cc(N)ccc2F)C1 585141970 JYMDRZGBCKYAHU-QGZVFWFLSA-N 338.427 1.125 0 40 EDAB O=C(COc1ncccn1)N1CC[C@](O)(COc2cccc(F)c2)C1 585277428 UMHGJQMMEJTZNZ-QGZVFWFLSA-N 347.346 1.037 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)c2ccncc2)CCO1 585276053 LMQFNXJTNYTAJR-LJQANCHMSA-N 326.396 1.836 0 40 EDAB O=C(NCCc1ccccc1F)C1CCN([C@@H]2CCOC2=O)CC1 52826196 MRDDPUPZZSRDLH-MRXNPFEDSA-N 334.391 1.512 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 58344412 GGXRNAVSDJHUEO-CZUORRHYSA-N 336.457 1.860 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCCN2CC(=O)N(C)c2nccs2)n1 69617378 PAOJSPCQMKWYGO-AWEZNQCLSA-N 348.476 1.869 0 40 EDAB COC(=O)CCCNC(=O)COc1ccc(Br)cc1 16258928 AVACSLGAFGCQGN-UHFFFAOYSA-N 330.178 1.897 0 40 EDAB CCC1(NC(=O)c2cnc(C3=NC(=O)[C@@](C)(C(C)C)N3)c(O)c2)CC1 585121559 SBMZMVOIAQPASE-QGZVFWFLSA-N 344.415 1.751 0 40 EDAB Cn1nccc1[C@@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)C[C@H]1N 1615590612 LRZIZFRKZZSNPX-HUUCEWRRSA-N 337.383 1.642 0 40 EDAB CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[C@@H]2COC)c1 1615541904 UBZIQTLNPOQANH-UKRRQHHQSA-N 340.445 1.482 0 40 EDAB O=C([C@H]1NCCOc2ccccc21)N1CCN(c2ccncc2)CC1 1615615030 MUNBTCBDEXNIPH-SFHVURJKSA-N 338.411 1.454 0 40 EDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)CN3CCCCC3)C[C@H]21 12120048 AEKKKFIXHNWPAN-HIFRSBDPSA-N 330.432 1.052 0 40 EDAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCN1CCCCC1 13717416 ITAXWQKSODFSRD-UHFFFAOYSA-N 343.427 1.665 0 40 EDAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 15746613 YIHVHEGAAFLWJZ-FXUDXRNXSA-N 348.374 1.353 0 40 EDAB CN(C)c1cc(N2CCN(C(=O)COc3ccccc3)CC2)cnn1 206723866 PJEFNTAINKRVEP-UHFFFAOYSA-N 341.415 1.270 0 40 EDAB NC(=O)NC(=O)C1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 158246685 ISCSQHQUXWPZGU-UZVIJOLCSA-N 347.390 1.799 0 40 EDAB CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1ccc(Cl)cc1 643550968 AOCFUERBTJHFNR-SDZVABTCSA-N 325.792 1.180 0 40 EDAB CN(CC1CN(c2ncc(Br)cn2)C1)C(=O)C1CC1 1888834174 VAHKTXLBIUSRMM-UHFFFAOYSA-N 325.210 1.544 0 40 EDAB Cc1ccnc(N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)n1 1888888407 SNDNNRZPQWYLEN-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB O=C(NCC1CCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 31441982 FAWLGNBQUHAXOY-CYBMUJFWSA-N 330.384 1.727 0 40 EDAB CN1c2ccc(NC(=O)C3CCOCC3)cc2N(C)S1(=O)=O 245015175 LOZPOZWQSSKVPV-UHFFFAOYSA-N 325.390 1.183 0 40 EDAB COc1ccc(CC(=O)N2CC[C@@H]3CN(C)CCO[C@@H]3C2)cc1F 1565548107 RLJXNGISLALSCE-RHSMWYFYSA-N 336.407 1.556 0 40 EDAB COc1cccc(OC)c1C(=O)NC[C@@]1(OCCO)CCSC1 1565522283 FSHGQOZWHFENHE-INIZCTEOSA-N 341.429 1.318 0 40 EDAB O=C(O)[C@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@]23C=C[C@H]1O3 3881882 SGHPRHVRHUWVMB-YKTARERQSA-N 338.363 1.577 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N2CCCC2)no1 11898202 JUTXLRJGUBGDEK-AWEZNQCLSA-N 345.403 1.213 0 40 EDAB Cc1c(CN[C@@H]2CCc3onc(CN4CCCC4)c3C2)cnn1C 2055734738 PMLCQEYTCKPUFS-OAHLLOKOSA-N 329.448 1.959 0 40 EDAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1 2055746357 STXGBQCIYYZACA-MRXNPFEDSA-N 347.459 1.870 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2ccsc2)C1 2055772882 QPRNPGDTZSGWAO-MRXNPFEDSA-N 332.429 1.251 0 40 EDAB O=S(=O)(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)C1CC1 206847080 HZWIHIFDBGWJDT-LBPRGKRZSA-N 335.385 1.627 0 40 EDAB O=c1ccc(-c2ccncc2)nn1CC1CN(c2ncc(F)cn2)C1 585605687 GFNQUKSESOXKLG-UHFFFAOYSA-N 338.346 1.371 0 40 EDAB Cc1cc(OC2CN(C(=O)/C=C/c3cccs3)C2)n2ncnc2n1 618256234 PJDLXHGPDGJMMU-SNAWJCMRSA-N 341.396 1.797 0 40 EDAB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1C)C1=C(COC1=O)N2 7777852 PVVYUQFAILNKQF-LBPRGKRZSA-N 339.351 1.233 0 40 EDAB O=C(NCC[C@@H](O)c1ccco1)C(=O)Nc1ccc2c(c1)OCCO2 77112399 DKQWNJDMHPBYAB-GFCCVEGCSA-N 346.339 1.229 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@H](O)c2cn(C)c3ccccc23)no1 96096522 FWAYZPKLVCQUPF-AWEZNQCLSA-N 342.355 1.263 0 40 EDAB CCN(CCNC(=O)CCC(=O)N1CCOCC1)c1ccccc1C 40108176 XXKJQVIDVANHQB-UHFFFAOYSA-N 347.459 1.577 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 40159023 VQRKGKPYFAIOIJ-ZDUSSCGKSA-N 339.461 1.667 0 40 EDAB CC(=O)NCCNC(=O)CSc1nc(C2CC2)nc2ccccc12 10947335 YSFVZSHZDIDJEO-UHFFFAOYSA-N 344.440 1.852 0 40 EDAB COCC(=O)Nc1ccc(NC(=O)CN2CCCCCC2=O)cc1 31139810 KRIKJSSBPJMYRV-UHFFFAOYSA-N 333.388 1.613 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)Cn2cnc3ncccc3c2=O)c1 40488022 CHFYTDBTBIVKMR-CQSZACIVSA-N 325.368 1.848 0 40 EDAB COc1ccc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)cc1 40488223 DPUOXWOWBKSOQU-OAHLLOKOSA-N 326.418 1.409 0 40 EDAB COC(=O)C1(NC(=O)CN(C)C(=O)c2ccco2)CCC(C)CC1 40554016 PMCAELHRVTWIAI-UHFFFAOYSA-N 336.388 1.590 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 40527685 OVODCGPCIFQKER-OAHLLOKOSA-N 346.456 1.872 0 40 EDAB COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)cc1 6468744 WZOOEAPWUNUYFT-CYBMUJFWSA-N 348.424 1.678 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)c2ccccc2OC(F)F)CC1 11332753 JTJXRNJCUZBNCA-UHFFFAOYSA-N 348.371 1.442 0 40 EDAB COc1cc(CNn2nnnc2N)ccc1OCc1ccccc1F 7602435 MXMABPREYMAGOB-UHFFFAOYSA-N 344.350 1.726 0 40 EDAB COCCNC(=O)[C@H]1CCC[C@@]12CCN(Cc1cn(C)nc1C)C2 108531971 SYBDUMTWVVUHHZ-AEFFLSMTSA-N 334.464 1.483 0 40 EDAB 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O=C(NCCn1ccnc1)NCc1ccc(OC[C@@H]2CCCO2)cc1 43310393 PPWNFZYNNLRVSH-KRWDZBQOSA-N 344.415 1.940 0 40 EDAB CNC(=O)c1sc2nc(Cc3ccc(O)cc3)[nH]c(=O)c2c1C 55502145 PEPYIBWFTXNZFI-UHFFFAOYSA-N 329.381 1.949 0 40 EDAB C[C@H](OC(=O)c1ccc(C(N)=O)cc1)c1nc2ccccc2c(=O)[nH]1 23046090 OSPYMABHYJOGSA-JTQLQIEISA-N 337.335 1.940 0 40 EDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 107320666 DZIAXRGWMWKOMO-APHBMKBZSA-N 343.427 1.878 0 40 EDAB O=C(CN1CCN(c2ccccc2)CC1)NC(=O)NCC(F)(F)F 35335151 HWKKMJCUFZGMQD-UHFFFAOYSA-N 344.337 1.197 0 40 EDAB CC(C)N(C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCC[C@H]1O 110704867 IRYVKQPJWVWHGZ-OWCLPIDISA-N 332.510 1.672 0 40 EDAB O=S(=O)(NC[C@H]1Cc2ccccc2O1)c1ccc2c(c1)OCCO2 26866040 FVTVMIMYIXQRTB-CYBMUJFWSA-N 347.392 1.740 0 40 EDAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCNC(=O)C1 58172370 XOBZITBUHIBNGX-HNNXBMFYSA-N 337.423 1.713 0 40 EDAB Nn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1C1CC1 3362998 WKZMDSFPIAKAHU-UHFFFAOYSA-N 347.400 1.007 0 40 EDAB C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1ccnc1 44903894 LJKINQRNWHEINB-AWEZNQCLSA-N 342.399 1.517 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N[C@H](C)Cn2cccn2)c1 44936002 ASZHBNJKCJBQCR-LLVKDONJSA-N 325.390 1.267 0 40 EDAB O=c1n(CN2CCN(Cc3ccsc3)CC2)nc2ccccn12 28707116 XQIKRJJPEPMXRD-UHFFFAOYSA-N 329.429 1.333 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccn(Cc2cccnc2)n1 58323002 SSEKVOXQKVGZBF-LBPRGKRZSA-N 339.355 1.676 0 40 EDAB Cc1ccc(O)c(S(=O)(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c1 58306812 NRACCNBQLDWKJE-CYBMUJFWSA-N 346.408 1.554 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1OC 27931788 VCNIETBDFFNCFW-TXEJJXNPSA-N 329.418 1.810 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N1CCCN(C(C)=O)CC1 48355809 BAMOVMNJCLYOTK-UHFFFAOYSA-N 338.429 1.175 0 40 EDAB Cc1cc(C(=O)O)cc(S(=O)(=O)NCCNc2ccccn2)c1C 12848502 PLRLLWKDSAVRLA-UHFFFAOYSA-N 349.412 1.787 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)c1ccc(OCc2noc(C)n2)cc1 12876594 KABPVJXWUQDBKQ-SNVBAGLBSA-N 332.360 1.211 0 40 EDAB Nc1cc(N)nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 3510231 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329.352 1.674 0 40 EDAB Cc1cnn(C[C@@H](C)NCC(=O)NC[C@H]2COc3ccccc3O2)c1 69571491 AZTHNJSEUUZWSR-CABCVRRESA-N 344.415 1.126 0 40 EDAB CNC(=O)[C@@H]1CCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 69559431 SDLXCBGIFINELO-NSHDSACASA-N 330.344 1.176 0 40 EDAB COC(=O)[C@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1=O 4815609 GQNGXRKCFPMOJA-HNNXBMFYSA-N 325.320 1.773 0 40 EDAB Cc1cnn(C[C@H](C)N[C@H](C)C(=O)Nc2sccc2C(N)=O)c1 69742489 PPDGYSIVZRUHMG-WDEREUQCSA-N 335.433 1.357 0 40 EDAB CC[C@H](C)[C@H](NC(=O)c1nnn(-c2ccccc2Cl)c1C)C(N)=O 69817316 MQPUQMWDHLWEPD-ZANVPECISA-N 349.822 1.859 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)CCN2CCO[C@@H](CN(C)C)C2)c1 69842979 JPVGTWLYICNONR-INIZCTEOSA-N 340.489 1.340 0 40 EDAB C[C@H](O)CN1CCC(CN(C)Cc2cccc(C(=O)N(C)C)c2)CC1 69973950 OYZPVZHFVRAORR-INIZCTEOSA-N 347.503 1.913 0 40 EDAB Cc1ccc(CNC(=O)CN(C)CC2CCN(C[C@H](C)O)CC2)cc1 69947585 GHASHPFQLUOYMI-KRWDZBQOSA-N 347.503 1.636 0 40 EDAB Cc1ccccc1C(=O)NCC(=O)N1CCC(c2nc[nH]n2)CC1 82980676 ONNAVPQTKJAYEO-UHFFFAOYSA-N 327.388 1.249 0 40 EDAB O=C(c1cn[nH]n1)N1CCN(CCOc2ccc(Cl)cc2)CC1 71819778 CFNMINHXCQCXSV-UHFFFAOYSA-N 335.795 1.295 0 40 EDAB COc1ccccc1OCC(=O)N1CCN(Cc2noc(C)n2)CC1 71882374 IOKOXTAFRDPUEP-UHFFFAOYSA-N 346.387 1.110 0 40 EDAB O=C(CNC[C@@H]1CCCN1c1cccnn1)NCc1ccccc1F 71859868 QZDQOOCMZQKXAI-HNNXBMFYSA-N 343.406 1.491 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NCc2ccco2)c1C 9457915 XXIVNOVPOUCBMR-NSHDSACASA-N 348.355 1.873 0 40 EDAB C[C@H]1CN(c2nc(-c3ccncc3)nc3c2CCNC3)C[C@@H](C)O1 71758865 VEBQSZFDDPYISP-BETUJISGSA-N 325.416 1.798 0 40 EDAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(=O)[nH]c1 9691625 OAHAFWJXRKLNCQ-UHFFFAOYSA-N 334.759 1.772 0 40 EDAB O=C(N[C@@H](c1nnn(C[C@@H]2CCCO2)n1)C1CC1)c1ccccc1 71910996 JAMVURJUVMCFEK-LSDHHAIUSA-N 327.388 1.733 0 40 EDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1nc(-c2ccccc2)oc1C 9717903 FMPUOVMCXXOCFT-JTQLQIEISA-N 331.328 1.651 0 40 EDAB Cc1cc(CN2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)no1 84117053 BKFJMGCTYLYDDS-HNNXBMFYSA-N 330.436 1.695 0 40 EDAB CC(C)c1nccn1[C@H]1CCCN(C(=O)CN2CSCC2=O)C1 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WTGYIUAZNIKNGE-UHFFFAOYSA-N 348.369 1.588 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NCCn3cnnc3C(C)C)cc12 76091850 BAJVTLUQPIUXSB-UHFFFAOYSA-N 327.392 1.422 0 40 EDAB C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@H](C)O 78597075 OZMPFKAVLLAJHL-RQJHMYQMSA-N 335.223 1.126 0 40 EDAB Cc1nsc(N2CCN(C(=O)CCn3ccnc3C(C)C)CC2)n1 74021443 JTWYCRQAKPGRHG-UHFFFAOYSA-N 348.476 1.905 0 40 EDAB CC(C)c1cnc(CN(C)[C@@H]2CCN(CCS(C)(=O)=O)C2)o1 78892092 PGHLGCCVHAKVPE-CYBMUJFWSA-N 329.466 1.349 0 40 EDAB Cc1cc(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)on1 95999339 WTOBEXAGBQRQLV-UHFFFAOYSA-N 347.396 1.200 0 40 EDAB CN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 95939436 QMEQRNYOPLSDFQ-CHWSQXEVSA-N 337.386 1.816 0 40 EDAB NC(=O)CNC(=O)c1ccc(I)c(Cl)c1 79020617 ZORKZMNUPNILBD-UHFFFAOYSA-N 338.532 1.160 0 40 EDAB COc1ccc(CC(=O)Nc2nc(CC(N)=O)cs2)c(OC)c1 22283114 YMEPVOUMNNCRMZ-UHFFFAOYSA-N 335.385 1.369 0 40 EDAB Cc1csc(N(C)C(=O)CN2CCN(c3ccccn3)CC2)n1 173630540 YGCJOQIVDTXEMX-UHFFFAOYSA-N 331.445 1.632 0 40 EDAB COC[C@H]1CN(c2nccc(C(=O)OC)c2Br)CCO1 521395065 BMEUYLFOXJZOEQ-SECBINFHSA-N 345.193 1.482 0 40 EDAB CCn1cc(Cl)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 32611312 LAQPYYVLWIWVMT-UHFFFAOYSA-N 328.781 1.456 0 40 EDAB COC(=O)c1cn([C@@H](C(=O)O)c2ccccc2)cc2c(O)nnc1-2 524734970 VYPGLZLXFOZDLT-CYBMUJFWSA-N 327.296 1.549 0 40 EDAB Cc1cc(=O)c(OCC(=O)Nc2nc(-c3cccs3)n[nH]2)co1 524732490 IJCVAXFZMHIROE-UHFFFAOYSA-N 332.341 1.812 0 40 EDAB Cc1noc(CCCNC(=O)c2c(-n3cnnn3)sc(C)c2C)n1 524735163 BDDPCTWUKGVSRZ-UHFFFAOYSA-N 347.404 1.395 0 40 EDAB O=C([C@H](CNCc1cccnc1)c1ccccc1)N1CCOCC1 78553746 LWOHYRWCBLXIBF-GOSISDBHSA-N 325.412 1.814 0 40 EDAB Fc1ccc(CN2CCO[C@@H](Cn3cncn3)C2)c2ncccc12 70004067 FHQNHDHMBNYASJ-CQSZACIVSA-N 327.363 1.866 0 40 EDAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)C1CC1 71980587 NOTOQOKNSAXPCU-MRXNPFEDSA-N 344.411 1.701 0 40 EDAB COC(=O)N1CCC(NC(=O)NCCc2sc(C)nc2C)CC1 78714687 LKPPNVKOVIBTDU-UHFFFAOYSA-N 340.449 1.832 0 40 EDAB Cc1c(S(=O)(=O)NCc2ccccc2N2CCCC2)cnn1C 36614724 FPTDOHDSIIKBSW-UHFFFAOYSA-N 334.445 1.807 0 40 EDAB CCn1cnc2c(c1=O)CCN(c1nc(C)nc3c1CCCC3)C2 557682470 MRTZSEGPKNXBIJ-UHFFFAOYSA-N 325.416 1.803 0 40 EDAB Cn1c(=O)n(CC(=O)Nc2cccc3ncccc23)c2cccnc21 72389483 SVWANYHALOAGDG-UHFFFAOYSA-N 333.351 1.922 0 40 EDAB COCCN1C(=O)c2ccc(C(=O)Nc3nnc(C)s3)cc2C1=O 31810897 USTXFHAFRKZTCC-UHFFFAOYSA-N 346.368 1.341 0 40 EDAB CC(=O)NC[C@H]1CN([C@@H](C(=O)O)c2cccc(Cl)c2)CCO1 566360428 ZKSXQWXSDGZREV-UONOGXRCSA-N 326.780 1.303 0 40 EDAB Cc1nn2cccnc2c1C(=O)NCC[S@@](=O)Cc1ccccc1 78913165 VUCMRALVWIKCLC-DEOSSOPVSA-N 342.424 1.716 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)C(F)(F)F)C[C@@H]1C(=O)O 72233740 WQNJRJODEOWKBT-SSDOTTSWSA-N 326.271 1.081 0 40 EDAB O=C(CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O)NCc1ccccc1 180678047 NVIPXAMGAGOUHE-OAQYLSRUSA-N 348.402 1.946 0 40 EDAB CC(C)(C)c1nc(N2CCC(N3CCS(=O)(=O)CC3)CC2)no1 225602964 SKAJGRLCYSGMKK-UHFFFAOYSA-N 342.465 1.066 0 40 EDAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)cc(Cl)c1 225962524 KIQWWBKHYPJOTE-UHFFFAOYSA-N 340.232 1.670 0 40 EDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 222437834 PEVPQDRTQGOZAM-UHQDVWGKSA-N 348.374 1.413 0 40 EDAB CN(C)c1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2)cn1 569695048 DJDAPUUTHZEVAX-CQSZACIVSA-N 349.412 1.642 0 40 EDAB CC[C@H](NS(=O)(=O)c1nnc(NC(C)=O)s1)c1ccccc1 223119173 SBEBVDXPQHOJGN-NSHDSACASA-N 340.430 1.926 0 40 EDAB Cc1cccc(-c2noc(CCC(=O)N3CCC(C(N)=O)CC3)n2)c1 225814346 WJBBZTIQIRIFQS-UHFFFAOYSA-N 342.399 1.702 0 40 EDAB O=C(NCc1cccc(F)c1)[C@@H](Cc1ccccc1)n1cnnn1 45362329 UPPCENILBKSYET-MRXNPFEDSA-N 325.347 1.912 0 40 EDAB CC(C)C[C@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(=O)O 49547499 HRMLZNQRQJYEGP-LBPRGKRZSA-N 349.412 1.587 0 40 EDAB COc1ncnc2c1CN(CC(=O)Nc1cc(C(C)(C)C)no1)CC2 97202412 JCBHFRLBHKSMJO-UHFFFAOYSA-N 345.403 1.768 0 40 EDAB O=C([C@@H]1CN(Cc2ccncc2)CC12CCOCC2)N1CCOCC1 96052226 RLOHYVASXFANKC-KRWDZBQOSA-N 345.443 1.169 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 95426472 PGWIGBGAZJURKJ-INIZCTEOSA-N 337.851 1.537 0 40 EDAB Cc1cccc(C(=O)N2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)n1 96251668 MVSQKVGLQJWUDZ-NUEKZKHPSA-N 331.416 1.534 0 40 EDAB CC(C)NC(=O)N1CCC[C@]2(C(=O)O)CN(Cc3ccoc3)C[C@@H]2C1 96185221 DURMUDXYCMVYTA-QAPCUYQASA-N 349.431 1.996 0 40 EDAB Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4cnn(C)c4)CCN3C2)n1 96110695 ZPBMFJWMBZOQNU-MOPGFXCFSA-N 341.459 1.599 0 40 EDAB CC(C)c1nnc(CN2C(=O)N[C@@](C)(c3cnccn3)C2=O)s1 530110174 WLLVOUIJONPBIL-AWEZNQCLSA-N 332.389 1.419 0 40 EDAB CN(C)C(=O)[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 96188781 NOZYNJRJCIFDDM-CQSZACIVSA-N 342.399 1.332 0 40 EDAB O=C([C@@H]1CCOC1)N1CCCn2cnc(CNc3ncccn3)c2C1 96084662 VNYUIZOSBBYOAA-CYBMUJFWSA-N 342.403 1.054 0 40 EDAB Cc1cc(Br)ccc1CC(=O)N1CCCS1(=O)=O 97236591 LXTCJHGADPEJIW-UHFFFAOYSA-N 332.219 1.862 0 40 EDAB COc1ccc(NC(=O)CCc2nnc3ccccn3c2=O)cn1 95474605 XDQLLJVKRZRHAW-UHFFFAOYSA-N 325.328 1.064 0 40 EDAB CC(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 96455039 UIBZIIOLHHCSSS-JHJVBQTASA-N 337.386 1.983 0 40 EDAB C[C@H]1CS(=O)(=O)CCN1Cc1cn(-c2ccc(Cl)cc2)nn1 96466218 SECGYAHMUJUUPN-NSHDSACASA-N 340.836 1.540 0 40 EDAB CCN(C(=O)c1ccc2nnc([C@H]3CCN(C(C)=O)C3)n2c1)C(C)C 96267707 VZKRLVSCXSFLQF-AWEZNQCLSA-N 343.431 1.936 0 40 EDAB Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3cccnc3)C[C@H]21 96054360 OYRNERSETWTBRZ-MSOLQXFVSA-N 328.416 1.772 0 40 EDAB Cc1cnc(CNC(=O)[C@@H]2C[C@H]3[C@H](CCN3Cc3ccco3)O2)cn1 96186594 UMAJURKFDYNGFQ-ULQDDVLXSA-N 342.399 1.426 0 40 EDAB Cc1nn(CCO)c(C)c1CN[C@H]1CCc2nnc(C(C)C)n2C1 97199429 FEBGPYIVCRXCDR-AWEZNQCLSA-N 332.452 1.312 0 40 EDAB Cc1cc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c(C)o1 583616393 NCUREKRXPGUMOM-MGPQQGTHSA-N 329.418 1.447 0 40 EDAB O=C(CCOc1ccccc1F)N1CCC[C@](O)(c2cnn[nH]2)C1 583617783 ROPNQRDZUYXPEA-MRXNPFEDSA-N 334.351 1.223 0 40 EDAB O=c1c2cc(F)ccc2ncn1CCNS(=O)(=O)c1ccccc1 95479523 FFKGMXMAWLLETF-UHFFFAOYSA-N 347.371 1.514 0 40 EDAB Cn1nccc1CCC(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 257292371 QLEUAMDPKLMGOS-GOSISDBHSA-N 343.431 1.875 0 40 EDAB Cc1cc(N)cc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257222095 DRWBLHCOVBFLHI-MRXNPFEDSA-N 339.399 1.853 0 40 EDAB NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(F)c(F)c(F)c1F 584906912 JMABINGPNRQLCF-LURJTMIESA-N 340.298 1.136 0 40 EDAB COCC(=O)N1CC[C@H](c2ccnc(Nc3ncccc3C)n2)C1 257238318 HKKYCGNFGUHZOU-ZDUSSCGKSA-N 327.388 1.886 0 40 EDAB O=C(CCCNC(=O)C1CC1)Nc1ccc2ccc(Cl)nc2n1 585131489 XHHSVASJXRUQRF-UHFFFAOYSA-N 332.791 2.528 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCNC34CCCC4)cc12 585137363 VCLBRGZZTRNAFD-AWEZNQCLSA-N 349.460 1.230 0 40 EDAB O=C(CCn1cnc2ccccc21)N1CCOC[C@H]1c1ccn[nH]1 257280473 OLAXHNDKHDZALS-INIZCTEOSA-N 325.372 1.750 0 40 EDAB CN(C)Cc1cnn(-c2ccccc2C(=O)NC2CCOCC2)c1 257267140 MGCKGJXPWDCRDH-UHFFFAOYSA-N 328.416 1.843 0 40 EDAB COC(=O)[C@@H]1CCCCC[C@@H]1N[C@H]1CCN(CC(F)(F)F)C1=O 253369346 BHEXELCDDFAYDV-WOPDTQHZSA-N 336.354 1.861 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)Cc2ccc(F)cc2)CCO1 257285387 PGVRCAWKNWJAPV-CQSZACIVSA-N 330.363 1.800 0 40 EDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1ccnc1 257311558 UKAQKZGVJFENHQ-UIBIWLFHSA-N 330.432 1.664 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)CCN(C)Cc2ccccn2)n1 257200353 ACYFDEAVOAKEKK-MRXNPFEDSA-N 343.431 1.535 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCO[C@@H](c3nccnc3N)C2)n1 257271958 NALZMMZZOGYPPU-LLVKDONJSA-N 346.391 1.098 0 40 EDAB Cc1ccnc([C@@H]2CCN(C(=O)c3cccc(-n4cnnc4)c3)C2)n1 257256926 KNKONBOVVHGWHO-OAHLLOKOSA-N 334.383 1.995 0 40 EDAB Cc1ncc(C(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)cn1 257326333 WWVIVYBFSJPWBB-KRWDZBQOSA-N 345.378 1.080 0 40 EDAB O=C(c1cnn2ccccc12)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 261923129 RVPDXCFLVHSHND-CYBMUJFWSA-N 327.262 1.814 0 40 EDAB CCn1cc(C(N)=S)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 85346178 DKUQBSOOVVMKKN-UHFFFAOYSA-N 348.447 1.547 0 40 EDAB Cn1cncc1CC(=O)N1CCCCCCNC(=O)[C@H]2CCC[C@@H]21 606445678 COKBURAHUJFWGK-HOTGVXAUSA-N 332.448 1.650 0 40 EDAB Cn1cnc(C(=O)N2CC3(C[C@H](Oc4ncccc4F)CS3)C2)c1 575403208 GLCJWBGXVXVKSZ-NSHDSACASA-N 348.403 1.733 0 40 EDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)CC2CC2)Cc2ccnn21 575403025 FQQOHPFIKRSZHX-INIZCTEOSA-N 346.431 1.109 0 40 EDAB COC[C@H]1CCn2nccc2CN1C(=O)c1cccc2c1OCCO2 585097811 QPVUGISGAGLAMD-CQSZACIVSA-N 343.383 1.715 0 40 EDAB Cc1cc(CC(=O)NC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)on1 585284451 IOJHECFAOAETNQ-MZMPZRCHSA-N 330.384 1.860 0 40 EDAB O=C(Cc1ccc(F)cn1)N1CC2(CCN(C(=O)c3ccoc3)C2)C1 585098988 FKEVCBBKHBUGMA-UHFFFAOYSA-N 343.358 1.731 0 40 EDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccc(Cl)cn1 585294410 QSTCNVZWVKGRLB-XWTMOSNGSA-N 348.830 1.245 0 40 EDAB CCOCC(=O)N1CCN(c2ccc(-c3noc(C)n3)cn2)CC1 44094066 SZOULCYWXIAZAV-UHFFFAOYSA-N 331.376 1.125 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)NCCN1CCCCCC1 46865328 WHNLUYMJJLFSBY-UHFFFAOYSA-N 344.463 1.666 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)N1CCC(c2ccccc2)CC1 51065960 RYWVSMXCHYKQJF-UHFFFAOYSA-N 336.457 1.123 0 40 EDAB C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 63194284 HMSKOBBOXVFYBW-MWLCHTKSSA-N 326.447 1.582 0 40 EDAB CS(=O)(=O)NCCSc1nnc(Nc2ccccc2)s1 69620024 SVKOZZGUBXFTET-UHFFFAOYSA-N 330.460 1.923 0 40 EDAB O=C(Cn1cncn1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 75165191 DQISITXYBWHSBT-UHFFFAOYSA-N 330.270 1.086 0 40 EDAB O=C1NC[C@@H](C(=O)NCc2cccc(COCc3ccccc3)c2)N1 89836703 WBJKSWABOSPRAL-KRWDZBQOSA-N 339.395 1.701 0 40 EDAB O=C(O)CCC(=O)N1CC[C@@H](O)[C@H](Cc2ccc(Cl)cc2)C1 1615190110 ALQHMLNGRRZOSU-TZMCWYRMSA-N 325.792 1.957 0 40 EDAB Cc1csc(CN(C[C@@H]2CCCO2)C(=O)c2cnnc(O)c2)n1 1615557229 QFHFXVCEDXZFBN-LBPRGKRZSA-N 334.401 1.769 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)N1CCN(C)C(C)(C)CC1 1615548910 ULEWRXHNUKZXRK-IBGZPJMESA-N 331.460 1.738 0 40 EDAB CC(C)[C@@H](NS(=O)(=O)c1cccc(C(=O)O)c1)C(C)(C)C(=O)O 1616039743 VTEHIPMXMQIEPC-GFCCVEGCSA-N 343.401 1.799 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 12239413 FDCSEPBKHQVEFB-HIFRSBDPSA-N 341.411 1.406 0 40 EDAB O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N1CCCCCC1 12390351 CEYDUUMHFSRRFK-UHFFFAOYSA-N 327.388 1.668 0 40 EDAB CCOc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)cc1OC 13125235 VUWLVWHMYUBSGB-AWEZNQCLSA-N 329.360 1.112 0 40 EDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 13305446 GCDPDUFZBZXLQD-UHFFFAOYSA-N 349.364 1.900 0 40 EDAB COCC(=O)N1CCC[C@H]1C(=O)c1cnn(-c2cccc(F)c2)c1N 19592809 WBVQHVVVQRESEL-AWEZNQCLSA-N 346.362 1.414 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2cccc3ncccc23)Cc2cn(C)nc21 19701221 RUZSOGRSLTXZSU-MRXNPFEDSA-N 335.411 1.814 0 40 EDAB CN1CCN(C(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)CC1 618254576 BEZZOGWGISYWQJ-AWEZNQCLSA-N 341.415 1.450 0 40 EDAB CC(C)(CNS(=O)(=O)c1cccc2ccoc12)N1CCOCC1 562707907 ODXQXIMRNYDNJX-UHFFFAOYSA-N 338.429 1.822 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)c2cnccn2)CCN1C(C)=O 1848352029 DDHJFFMTHZXPNL-INIZCTEOSA-N 340.383 1.531 0 40 EDAB O=C1CCCCCN1CC(=O)N1CCC[C@@H]1c1nnc2ccccn12 31503574 QRKOPSDBUDTXDD-CQSZACIVSA-N 341.415 1.795 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@H](c3ncon3)C2)cc1F 238879646 OXWROWYDXMBFRR-JTQLQIEISA-N 341.364 1.786 0 40 EDAB O=C(N1CC[C@H]2OCC[C@@]2(C(=O)Nc2cccnc2)C1)C1(F)CC1 1614933283 OPTYWVZNLNCCBF-CZUORRHYSA-N 333.363 1.530 0 40 EDAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)CCc1cncnc1)C2 1565542555 OBYRDJRNSNYQTF-FUHWJXTLSA-N 333.432 1.843 0 40 EDAB Cc1ccc(S(=O)(=O)NCC(=O)Nc2nnc(C)s2)cc1 33114 YVQHYRNHXKEUNO-UHFFFAOYSA-N 326.403 1.072 0 40 EDAB O=S(=O)(NC[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1F 10220581 OIOSRRGZMWSHNN-LLVKDONJSA-N 333.356 1.929 0 40 EDAB Cc1ccc(-n2ncc3c(N(CCO)CCO)ncnc32)cc1Cl 10386316 RZLWFNVQILUQJR-UHFFFAOYSA-N 347.806 1.568 0 40 EDAB Cc1c(CN2CCC(C(=O)N(C)C)(n3ccnc3)CC2)cnn1C 2055704324 KWWFKHCYAPMZGN-UHFFFAOYSA-N 330.436 1.005 0 40 EDAB Cc1oncc1CN1CCO[C@@H](C(=O)N2CCC(F)(F)CC2)C1 2086884509 CMEKWFWSMPIWEB-CYBMUJFWSA-N 329.347 1.442 0 40 EDAB O=C(NCc1cn(-c2ccncc2)nn1)c1cc2ccccc2oc1=O 575616311 JOIROEPLUDSZCV-UHFFFAOYSA-N 347.334 1.699 0 40 EDAB O=C(NCCOc1ccc(F)cc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 40074083 ADPWNAOKYPABGH-JTQLQIEISA-N 348.296 1.732 0 40 EDAB COc1cccc(CNC(=O)C2=NN(c3ccccc3)C(=O)CN2)c1 30585960 XXKLNCCOXCFTTG-UHFFFAOYSA-N 338.367 1.261 0 40 EDAB O=C(CNS(=O)(=O)c1ccccc1)OCC(=O)c1ccccc1 2594123 ICUSALCGPXCKIP-UHFFFAOYSA-N 333.365 1.391 0 40 EDAB COCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc2c(c1)OCO2 2683812 AVHMXPNKMVDFHG-HNNXBMFYSA-N 348.355 1.575 0 40 EDAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]12 100868715 LJIVJJIPUXDHPN-WDEREUQCSA-N 335.747 1.029 0 40 EDAB CCC[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)Nc2cc(C)no2)C1 51052789 YQLBADVIXIFKJS-JSGCOSHPSA-N 336.436 1.938 0 40 EDAB O=C(CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NC1CCCC1 20732317 DYNWIKPTBGYIQA-AWEZNQCLSA-N 343.427 1.605 0 40 EDAB C[C@H]1CN(C(=O)CN(C)CC(=O)Nc2ccccc2Cl)CCO1 11291896 YQBICBKMWPBPDA-LBPRGKRZSA-N 339.823 1.458 0 40 EDAB COCCN1CC2(CCC1=O)CCN(Cc1cnc(C)nc1)CC2 108535666 KSYVECBXQMQRSD-UHFFFAOYSA-N 332.448 1.636 0 40 EDAB NC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2ccccc2O)CC1 28962271 BRGZFBWCYIWCNO-QGZVFWFLSA-N 329.375 1.880 0 40 EDAB CC(C)S(=O)(=O)Cc1ccc(N[C@H](C)C(=O)NC(N)=O)cc1 52117922 ISNRGFSWSJFEDQ-SNVBAGLBSA-N 327.406 1.005 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1 29206715 GDTDGEPVWYCFPT-MRZGDXHCSA-N 326.393 1.379 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cc(C)ccc3C)N2N1 10152981 DOXPEIHCRKTVTF-CYBMUJFWSA-N 327.388 1.558 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 102392489 KBNUANSVSDABTD-UVPYHEFZSA-N 330.428 1.880 0 40 EDAB CC(C)NC(=O)[C@H](C)S(=O)(=O)Cc1nc(-c2ccccc2)no1 46116788 RNQFHZFIDKSDAI-NSHDSACASA-N 337.401 1.565 0 40 EDAB CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCC(=O)O)ccc12 489665 GIQHYYHTXISBTF-JTQLQIEISA-N 333.340 1.632 0 40 EDAB biogenic C[C@@H]1CCCN(S(=O)(=O)NCc2ccc(-n3cncn3)cc2)C1 32935772 VOARBUPQCHDWFE-CYBMUJFWSA-N 335.433 1.334 0 40 EDAB Cc1csc(=O)n1CCC(=O)N[C@@H](C)c1nnc2n1CCCCC2 29898227 BNBGZBCELWFJJN-LBPRGKRZSA-N 349.460 1.804 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(F)cc1Cl 53338917 YCSXJILEMRDMHL-NXEZZACHSA-N 328.771 1.970 0 40 EDAB COc1cc(C)c([C@@H](C)NC(=O)N2CC[C@H](C(N)=O)C2)cc1OC 46614049 CHQUAWUVZUTJMF-NEPJUHHUSA-N 335.404 1.590 0 40 EDAB COCCOc1ncccc1C(=O)NCCC(=O)Nc1ccccn1 53809002 HRCVATNSHBBIDT-UHFFFAOYSA-N 344.371 1.260 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cn1 89652206 AHGWGOMLIXJIDQ-NVXWUHKLSA-N 327.428 1.934 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)CC[C@H]1Cc2ccccc2NC1=O 46884857 VIALJKVPZDLZCH-HOCLYGCPSA-N 345.443 1.415 0 40 EDAB Cc1cccc(NC2=NN/C(=c3\ccc4c(c3)OC(=O)N=4)CS2)c1 104981441 CLOMUSPFUYUHHX-SDNWHVSQSA-N 338.392 1.955 0 40 EDAB Cn1cc(CN2CCC3(CC(NC(=O)c4ccncc4)C3)C2)cn1 108524442 HUUAEHLBJVUFJV-UHFFFAOYSA-N 325.416 1.600 0 40 EDAB Cc1ccc(-n2nnc(CC(=O)N3CCN(C)C[C@H]3C)c2C)cc1 89642697 QTYFPPNJNXOPJT-CQSZACIVSA-N 327.432 1.589 0 40 EDAB C[C@H](C(=O)NC(C)(C)C)N1CCN(CC(=O)Nc2ccccc2)CC1 24249580 DCEYTJCPVJQWRS-OAHLLOKOSA-N 346.475 1.546 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(F)cc2)C1 43025342 AVFJZICPLLWHCA-CYBMUJFWSA-N 329.397 1.049 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1c(C)cc(C)c(C(C)=O)c1C 24806162 KKDILPQKNMCETR-INIZCTEOSA-N 346.427 1.678 0 40 EDAB Cc1cc(NC(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)n(C)n1 47489740 ARPNWTBAMRCQMF-UHFFFAOYSA-N 342.403 1.492 0 40 EDAB COc1cccc(CN2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)c1 107058099 QZXIUMNEZDINQB-DNVCBOLYSA-N 331.460 1.680 0 40 EDAB CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 69414011 AASWIHMUEATCQZ-KRWDZBQOSA-N 344.459 1.525 0 40 EDAB COC(=O)CCNC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 69492709 CNRDSCPOEUMFRB-UHFFFAOYSA-N 334.353 1.832 0 40 EDAB Cc1cc(C)cc(OC[C@@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 58144672 DELTWVSGUIIWAO-KSSFIOAISA-N 332.400 1.764 0 40 EDAB CC(=O)N[C@H](C(=O)NCc1ccccc1Cn1cccn1)C(C)C 10234823 PAKDDKNCGPIJDB-KRWDZBQOSA-N 328.416 1.708 0 40 EDAB Cc1ccnc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 27649389 AWPWNCOYYGBOKN-UHFFFAOYSA-N 344.396 1.457 0 40 EDAB C[C@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)C[C@@H](C)O1 12632124 DPEWOLCAXXDJNA-BETUJISGSA-N 325.434 1.480 0 40 EDAB CCOC(=O)c1ccc(N2CCCN(S(=O)(=O)CC)CC2)nc1 58268473 SVBUXQJDJRWHPV-UHFFFAOYSA-N 341.433 1.120 0 40 EDAB C[C@@H](c1nc(C(C)(C)C)no1)S(=O)(=O)CC(=O)N1CCCC1 44938758 RYCZAELUUFKNEO-JTQLQIEISA-N 329.422 1.465 0 40 EDAB 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CC(C)CCNC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20450034 SPXWHNZCEWMNLP-BQYQJAHWSA-N 328.434 1.847 0 40 EDAB CCc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1CCOC 13957599 SOWDNLOMIQWAKK-UHFFFAOYSA-N 331.347 1.828 0 40 EDAB CCCc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1 4436706 DFYQRMCDZDXCOD-UHFFFAOYSA-N 325.415 1.903 0 40 EDAB O=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)c1ccccc1 65553932 YWTVUYUNUTZGKJ-ZDUSSCGKSA-N 326.443 1.276 0 40 EDAB Cc1cnn(CCCNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)c1 69812617 JYFDEWQCMDRLFN-CYBMUJFWSA-N 338.477 1.645 0 40 EDAB C[C@@H](COc1cccc(F)c1)NC[C@@H]1CNc2c(C(N)=O)cnn2C1 69849008 WNHYAVLDSZMNBA-NWDGAFQWSA-N 347.394 1.220 0 40 EDAB CC(C)(C)c1ccc(=O)n(CC(=O)N2CC(=O)Nc3ccccc32)n1 66264580 NXAHBSXCFZBJHG-UHFFFAOYSA-N 340.383 1.526 0 40 EDAB Cn1c(CNC(=O)c2cnc(-c3ccccc3)nc2)n[nH]c1=S 66625391 DTLWSTDMNJMSNN-UHFFFAOYSA-N 326.385 1.865 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)NC(=O)CS3)n1 8726208 FQVXVWVQLCYQTP-UHFFFAOYSA-N 348.409 1.467 0 40 EDAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)N1CCCCCC1 7057912 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CNC(=O)CCOc1ccc(NC(=O)N2CCOC(C)(C)C2)cc1 71857143 ONDPVGGARNRVQA-UHFFFAOYSA-N 335.404 1.844 0 40 EDAB CCCn1c(N)c(-c2csc(N(CC)CC)n2)c(=O)n(C)c1=O 9478629 STMDJTICSGHBHX-UHFFFAOYSA-N 337.449 1.509 0 40 EDAB Cc1nnc(NC(=O)CN(C)C[C@H]2CCCN2c2cccnn2)s1 71860015 CACNPIRFIJJKEA-GFCCVEGCSA-N 347.448 1.176 0 40 EDAB C[C@@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3Cc1ccccc1 19818756 KPHGDOIJKSHJHG-NSHDSACASA-N 335.363 1.898 0 40 EDAB COc1ccc2oc(C(=O)N(CCN(C)C)CC(=O)O)c(C)c2c1 84067735 YTUHUOGAXZHYLC-UHFFFAOYSA-N 334.372 1.838 0 40 EDAB COc1cccc2c1OC[C@@H](NC(=O)N1CCC3(CC1)OCCO3)C2 72254825 CQEJHXNGDFQJGZ-AWEZNQCLSA-N 348.399 1.547 0 40 EDAB COc1ccc(Br)cc1CC(=O)N[C@H](C(N)=O)C(C)C 72296655 PBJIYVAOEHKRRB-ZDUSSCGKSA-N 343.221 1.626 0 40 EDAB CC(C)n1cc(S(=O)(=O)NCC(=O)c2ccc(F)cc2)cn1 97147293 IKVOEOQQEDPYQF-UHFFFAOYSA-N 325.365 1.764 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 75606887 YBDRBDSIOAHHHU-NVXWUHKLSA-N 344.459 1.429 0 40 EDAB Cc1nc(N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)c2ccsc2n1 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336.129 1.302 0 40 EDAB O=C(NCc1c(F)cccc1F)C1CN(C(=O)c2cnccn2)C1 70808912 GJNRQGZWZCBLMT-UHFFFAOYSA-N 332.310 1.143 0 40 EDAB Cn1cccc1[C@@H](O)CNC(=O)C1(c2ccccc2)CCOCC1 75155073 MHSZHEXLUKUKKT-KRWDZBQOSA-N 328.412 1.923 0 40 EDAB CN(Cn1c(=O)oc2ccc(Cl)cc21)[C@H]1CCS(=O)(=O)C1 40497446 QUIXQWKTWWKXDT-JTQLQIEISA-N 330.793 1.324 0 40 EDAB O=C([C@@H](CNCc1ccccn1)c1ccccc1)N1CCOCC1 78553734 OIJMYQPTJGKAIF-SFHVURJKSA-N 325.412 1.814 0 40 EDAB O=C(c1ccc[nH]c1=O)N1CC(c2nc(-c3ccsc3)no2)C1 75156504 VSEBXJYEYVUROF-UHFFFAOYSA-N 328.353 1.726 0 40 EDAB CC1(C)Cc2cc(C(=O)Nc3[nH]nnc3C(=O)NC3CC3)ccc2O1 519699655 CNALUMSMWVROTJ-UHFFFAOYSA-N 341.371 1.663 0 40 EDAB O=C(NCc1ccccc1F)[C@H]1COCC(=O)N1Cc1cccs1 85472619 YUMVCSGTGZRJTG-OAHLLOKOSA-N 348.399 1.931 0 40 EDAB CC(C)c1nc(NC(=O)Cn2cc(-c3ccccc3)nn2)n(C)n1 89893575 PFZHSGKRFOMLRA-UHFFFAOYSA-N 325.376 1.836 0 40 EDAB O=C(Nc1cccnc1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O 75172520 UKNVMCFEBOTLFY-UHFFFAOYSA-N 340.314 1.371 0 40 EDAB CN(C)CCNC(=O)COc1cccc(I)c1 193888055 KTMGWHKXDCCUNV-UHFFFAOYSA-N 348.184 1.348 0 40 EDAB Cc1n[nH]c(SCCNC(=O)c2cnn(Cc3ccccc3)c2)n1 225888754 OVCPWIMXYJMWQM-UHFFFAOYSA-N 342.428 1.880 0 40 EDAB CN1C[C@H](NC(=O)c2cnc3c(c2)ncn3C)CC[C@H]1C(F)(F)F 583620057 QBCZFBPBJJUXSG-PWSUYJOCSA-N 341.337 1.723 0 40 EDAB COCCN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3ccncc3)C2)C1 96075689 FODUAQGJUJNMCB-QFBILLFUSA-N 347.459 1.671 0 40 EDAB COc1cc(N2CC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)ncn1 96206856 NBSXASJQCMUTPQ-PXAZEXFGSA-N 346.362 1.836 0 40 EDAB O=C1CCCN1C[C@@H]1OC[C@H]2CCN(C(=O)c3cccnc3)C[C@H]21 96064334 OIQAGNUJBHENTQ-OAGGEKHMSA-N 329.400 1.181 0 40 EDAB COc1ccc(C(F)(F)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1 96484911 XBLIOIKPRPHJNR-FZMZJTMJSA-N 328.359 1.622 0 40 EDAB CCN(CC)C(=O)CN1CCCN(C(=O)/C=C/c2ccccn2)CC1 96405905 IYFVRSVTWRELLG-MDZDMXLPSA-N 344.459 1.498 0 40 EDAB CCOC[C@H]1c2c(cnn2C)CCN1C(=O)COc1ccccc1 96197748 PNDPWYNPJPCTGJ-INIZCTEOSA-N 329.400 1.961 0 40 EDAB Cn1cc(CN2CCO[C@@H]3CN(Cc4ccccc4F)C[C@@H]3C2)cn1 96108111 KTXIYDHFYOEULE-PKOBYXMFSA-N 344.434 1.892 0 40 EDAB CN1C(=O)CCC[C@]12CCCN(S(=O)(=O)c1ccccc1F)C2 96229753 OKKVVPYGCSTSKM-MRXNPFEDSA-N 340.420 1.991 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@@H]2C1 96107959 NKVGIJRVZDJDNG-SMDDNHRTSA-N 334.807 1.390 0 40 EDAB O=C(NCCNC(=O)[C@H](O)c1ccccc1Cl)c1cccs1 95450226 ZLAKSAAKTGNNJE-CYBMUJFWSA-N 338.816 1.981 0 40 EDAB O=C(c1csnn1)N1C[C@H]2CCN(Cc3ccncc3)C(=O)[C@H]2C1 96082027 HMQCKVYFTPQANB-OLZOCXBDSA-N 343.412 1.054 0 40 EDAB Cc1noc(C)c1CNC[C@@H]1Cn2nnc(-c3cccnc3)c2CO1 96199229 SJGXTNIQRXSDRB-CQSZACIVSA-N 340.387 1.634 0 40 EDAB CC(C)NC(=O)C[C@@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2O1 96216269 RFMBORFXIIQKKS-RLFYNMQTSA-N 346.427 1.919 0 40 EDAB CC[C@@H](NCC(=O)N[C@H]1CCCCNC1=O)c1ccc(F)cc1F 96491949 XKWRPVGBKUHRLO-CABCVRRESA-N 339.386 1.790 0 40 EDAB Fc1cnc(N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3CC2)nc1 96249418 QMJKMJSJHHZVIW-IRXDYDNUSA-N 343.406 1.881 0 40 EDAB CC(C)NC(=O)[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 248012566 RPIHZAGHGIZUII-OAHLLOKOSA-N 342.399 1.693 0 40 EDAB CN1CC[C@@H](COCC2CC2)CC12CN(C(=O)c1cnn(C)c1)C2 248130509 NAZFPXYZOJQOFP-OAHLLOKOSA-N 332.448 1.383 0 40 EDAB Cn1cnc2c1[C@@H](C(=O)N1CC=CC1)CN(Cc1ccsc1)C2 248027990 KEJPPPXFBJWSRC-AWEZNQCLSA-N 328.441 1.979 0 40 EDAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2N[C@@H]3CCCC[C@H]3NC2=O)cc1 250762847 WSNLIHQOCSPKGG-OAGGEKHMSA-N 344.415 1.373 0 40 EDAB O=C(NCCO)Nc1cc(N2CCOCC2)ccc1Br 585119341 CSNUGYUGMXCOGO-UHFFFAOYSA-N 344.209 1.400 0 40 EDAB CS(=O)(=O)N1CCC(N2CCC[C@@H](c3nccs3)C2)CC1 257282720 OUYOIBHAOYYCQE-GFCCVEGCSA-N 329.491 1.747 0 40 EDAB Cc1ccc(N(C)[C@@H]2COC3(CCN(CCC(N)=O)CC3)C2)cc1 257289866 QANDUSPBQVOJBF-KRWDZBQOSA-N 331.460 1.930 0 40 EDAB Cn1nc(N)c2ccc([C@@H]3CCCN(C(=O)c4ccno4)C3)nc21 257323899 WMHYSJQCSGRGNU-SNVBAGLBSA-N 326.360 1.558 0 40 EDAB O=C(c1cncnc1)N1CCOC[C@H](Cc2ccc3[nH]ncc3c2)C1 257280351 OKMHXVBOKPDEND-CQSZACIVSA-N 337.383 1.684 0 40 EDAB CC[C@H](C(=O)O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 263159242 QJOUFAYHELLWSJ-OAHLLOKOSA-N 336.388 1.325 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C3CC3)CC2)cc1C 85467001 QESCLULKNGHWPS-QGZVFWFLSA-N 338.473 1.381 0 40 EDAB CO[C@@H]1CCCN(c2ccc(NC(=O)Cn3ncccc3=O)cc2)C1 96122490 GBTSJITTYWOZGU-MRXNPFEDSA-N 342.399 1.497 0 40 EDAB CCOCC(=O)N1CC2(C1)OCC[C@H]2CCOCc1cccc(C)n1 575402389 CCBKPDOADWUMMM-MRXNPFEDSA-N 348.443 1.951 0 40 EDAB Cc1nc(-c2cnc(C)n2C)cc(C2CCN(S(C)(=O)=O)CC2)n1 585260990 JOANMHWMFNPOAW-UHFFFAOYSA-N 349.460 1.633 0 40 EDAB C[C@H]1c2ncc(CCOc3cccnc3)n2CCN1S(C)(=O)=O 585097293 IBADELOPJNUAAQ-LBPRGKRZSA-N 336.417 1.236 0 40 EDAB Cc1ccccc1OCC(=O)N1CC(F)(F)C[C@@]2(CCNC2=O)C1 585093489 ZJIUFBVHNXEAFV-INIZCTEOSA-N 338.354 1.748 0 40 EDAB CN(C)C(=O)CO[C@H]1CCC[C@@H]2CN(C(=O)c3ccnc(F)c3)C[C@@H]21 585107866 WQKYSIOSNOMBNZ-ILXRZTDVSA-N 349.406 1.566 0 40 EDAB O=C(CN1CCC[C@H]1C(=O)NCC(F)(F)F)NCc1ccco1 54990889 QQXIBVDJOKWWPF-NSHDSACASA-N 333.310 1.039 0 40 EDAB CCOC(Cn1cc(C(=O)Nc2nc(C)cs2)nn1)OCC 58329303 JIOXTQJMGCTHIW-UHFFFAOYSA-N 325.394 1.694 0 40 EDAB CC(C)c1ncncc1C(=O)NCCN1C(=O)c2ccccc2C1=O 65410618 MYWFYNYYUQXAGW-UHFFFAOYSA-N 338.367 1.626 0 40 EDAB CCNC(=O)Cc1ccc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)cc1 65588280 OKGKTAHYJOSIGM-GOSISDBHSA-N 345.443 1.951 0 40 EDAB Cc1ccc(N(C)C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 69616721 OXTRFZKWYBSVFV-UHFFFAOYSA-N 339.461 1.812 0 40 EDAB O=C(NCc1cccnc1N1CCCCC1)[C@H](O)C1CCOCC1 76017779 QQFPOULBMTWLGA-MRXNPFEDSA-N 333.432 1.476 0 40 EDAB CO[C@]1(CNS(=O)(=O)c2cccc(C(C)=O)c2)CCSC1 96097666 YMLGULCZJXSWTA-AWEZNQCLSA-N 329.443 1.690 0 40 EDAB Cc1nnc2c(N3CCN(c4nc5ccccc5o4)CC3)nccn12 745971760 NQFNQFLETMQEMO-UHFFFAOYSA-N 335.371 1.901 0 40 EDAB Cc1cc(C(=O)N[C@@]2(CC(=O)O)CCCOC2)ccc1-n1cccn1 1607578337 CYOKBFWJSNKNTF-GOSISDBHSA-N 343.383 1.934 0 40 EDAB COC(=O)[C@H](CCN1C[C@H](C)OC(C)(C)C1)NC(=O)OC(C)(C)C 1616037940 NSEPOJFEFFFSMN-STQMWFEESA-N 344.452 1.942 0 40 EDAB COC(=O)C1CCN(c2nnnn2CCc2ccccc2Cl)CC1 1616036296 ILXGGZRUKZDKKY-UHFFFAOYSA-N 349.822 1.959 0 40 EDAB C[C@@H](OC(=O)COc1ccc(Br)cc1Cl)C(N)=O 7330330 CKKKTCPORMOHTD-ZCFIWIBFSA-N 336.569 1.898 0 40 EDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC2)C12CCNCC2 1549174638 NPPUGPSNDGXRFJ-KRWDZBQOSA-N 341.455 1.989 0 40 EDAB Cc1cc(O)n2nc([C@@H]3CCCCN3C(=O)[C@H]3CCCO3)cc2n1 12161039 LZYCXHCCRGGHIB-UONOGXRCSA-N 330.388 1.976 0 40 EDAB CCOC(=O)c1sc(NC(=O)CN(C)C)c(C(=O)OCC)c1C 14218140 MHASCWIHSUUNIP-UHFFFAOYSA-N 342.417 1.910 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCc1cccnc1 19576328 CMZDDAVXFLQPAX-QMTMVMCOSA-N 335.363 1.785 0 40 EDAB Cc1ccc(O[C@@H]2CCN(C(=O)c3noc4c3CCCC4)C2)nn1 225427767 PQMYQRLKHCFIQF-GFCCVEGCSA-N 328.372 1.945 0 40 EDAB O=C(c1ccc2[nH]nnc2c1)N1CCN(C(=O)N2CCCCC2)CC1 24501866 ALDVRMOTLLBRBQ-UHFFFAOYSA-N 342.403 1.322 0 40 EDAB O=C1NCCN1C(=O)NCc1nnc2ccc(-c3ccsc3)nn12 238938195 VSVXQYISKVUSSM-UHFFFAOYSA-N 343.372 1.088 0 40 EDAB O=C(CSC1CCCC1)N1CCC(N2C(=O)COC2=O)CC1 244909822 AXASXKYNUHUEBP-UHFFFAOYSA-N 326.418 1.632 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccccc1F 4314902 IJUHVEUJNBWUJP-GFCCVEGCSA-N 330.315 1.690 0 40 EDAB O=C(NC[C@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccon1 8864225 PPBJRLYTUQFGAC-GFCCVEGCSA-N 334.401 1.628 0 40 EDAB COCC(=O)N1CCC(C(=O)Nc2ccccc2)(n2cccn2)CC1 2055708100 HKSWXJHVAHJEPT-UHFFFAOYSA-N 342.399 1.486 0 40 EDAB COc1ccc(CCNC(=O)NCC2(N3CCOCC3)CCC2)cc1 1775973731 NFTZSPSQEJZVHN-UHFFFAOYSA-N 347.459 1.792 0 40 EDAB COc1ccccc1S(=O)(=O)N1CC[C@H](Oc2cnsn2)C1 618257190 RDKBPCUNFBOCAS-JTQLQIEISA-N 341.414 1.389 0 40 EDAB O=C(NCC[C@H](O)c1cccc(Cl)c1)C(=O)NCc1ccco1 245060698 PWTPWOLCZVSHCO-AWEZNQCLSA-N 336.775 1.789 0 40 EDAB CC(C)OCc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 28790817 JDKAENRMJVNZEX-UHFFFAOYSA-N 345.399 1.426 0 40 EDAB COc1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1Cl 30330026 UHDHPRWLEZGWDA-UHFFFAOYSA-N 346.836 1.639 0 40 EDAB O=C(C1CCCC1)N1CCN(Cn2ncc3ccccc3c2=O)CC1 30003496 ULWLGDJFQYGLAJ-UHFFFAOYSA-N 340.427 1.688 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@]1(C)CCS(=O)(=O)C1 30719637 BTKUAQJQNIUVKW-MRXNPFEDSA-N 334.397 1.352 0 40 EDAB COc1ccc(OC)c(NC(=O)c2cnc3n(c2=O)CCS3)c1 211368 KLRGRAWOCMJTLO-UHFFFAOYSA-N 333.369 1.619 0 40 EDAB Cc1nn(C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C)c1Br 215085 HVVKFOQIMSDSBK-JXUBOQSCSA-N 343.177 1.781 0 40 EDAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 415561 IOJVLQZQBNPRJW-GFCCVEGCSA-N 346.474 1.500 0 40 EDAB Cn1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1=O 28480158 UYUYGPYMEFZMDE-UHFFFAOYSA-N 325.412 1.911 0 40 EDAB CNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 583265 NLSZJRXAPVJXIP-UHFFFAOYSA-N 348.424 1.945 0 40 EDAB Nc1nnc(SCC(=O)NC(=O)NCc2ccccc2)n1C1CC1 31453925 QQJFTNGDUOYVNL-UHFFFAOYSA-N 346.416 1.313 0 40 EDAB NC(=O)CC1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1 40542707 BKUUYULEZGXUGJ-UHFFFAOYSA-N 345.321 1.750 0 40 EDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)Cc1ccccc1Cl 40528444 SXCRRUGWMAKDII-AAEUAGOBSA-N 345.848 1.939 0 40 EDAB O=c1n(Cc2nnc(-c3cccs3)o2)nnn1-c1cccs1 31792657 MZDFVPJCVCYAGT-UHFFFAOYSA-N 332.370 1.650 0 40 EDAB O=C(NCCCn1cncn1)N1CCN(Cc2ccccc2F)CC1 45648605 MHOBJNQDOYDBRD-UHFFFAOYSA-N 346.410 1.335 0 40 EDAB COCCCNC(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C 4364716 QIJGUHDIULITIP-UHFFFAOYSA-N 328.434 1.043 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1 6818292 KNXURBSMFNZHIS-UHFFFAOYSA-N 326.403 1.712 0 40 EDAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3ncccn3)oc(C)c12 7989271 VSSUSGGYSSBSKI-UHFFFAOYSA-N 331.357 1.654 0 40 EDAB CCc1cc(N2CCC(C(=O)N3CCCC3)CC2)n2ncnc2n1 51591969 VJWOEPHRQHJMHO-UHFFFAOYSA-N 328.420 1.526 0 40 EDAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2)c2ccccc21 101436863 ZRQMEMCZXQXZEU-MRXNPFEDSA-N 337.379 1.527 0 40 EDAB O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8077332 JXBOEQMCTNQKMU-NSHDSACASA-N 326.393 1.505 0 40 EDAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)NC(=O)NCc1ccccc1 8328334 VSZQVICQWKVINL-LBPRGKRZSA-N 342.351 1.964 0 40 EDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccc(F)cc1Cl 32689108 WZRWJTXUCVGTLR-UHFFFAOYSA-N 339.710 1.371 0 40 EDAB Cc1nc(CCNC(=O)[C@H]2CCCN(c3cnccn3)C2)cs1 29782861 WWBZAJOWOOKCCX-ZDUSSCGKSA-N 331.445 1.817 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)c2cncn2-c2ccccc2)c1 8162040 QOIGMZXRISYYIK-UHFFFAOYSA-N 342.380 1.772 0 40 EDAB O=C(NCC(F)(F)F)NC[C@@]1(N2CCOCC2)CCSC1 41199333 XUIDSJNDANLXFF-NSHDSACASA-N 327.372 1.056 0 40 EDAB C[C@H]1CN(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)C[C@@H](C)O1 32804324 UVLVONFGPFSEBF-TXEJJXNPSA-N 338.433 1.349 0 40 EDAB COc1ccc(CC(=O)NC2CCN(c3ncccn3)CC2)cc1 46597362 AADAXVBBXKZNFM-UHFFFAOYSA-N 326.400 1.813 0 40 EDAB CC(C)n1ncc2cc(C(=O)NCC3(C(N)=O)CCOCC3)cnc21 52743865 VNUDGKRDRBHSJW-UHFFFAOYSA-N 345.403 1.024 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)NCc1nncn1CC 46964894 UUGNMZBQVSRFGD-ZDUSSCGKSA-N 345.403 1.670 0 40 EDAB Cc1nc(CN2CCC[C@@H](NCc3cccc(C(N)=O)c3)C2)no1 69455690 XWXQTVKBZZENLS-OAHLLOKOSA-N 329.404 1.231 0 40 EDAB Cc1ccnc2nc(C(=O)NCCc3csc(C(C)C)n3)nn12 69490585 BDCWOTUWWVJFFF-UHFFFAOYSA-N 330.417 1.985 0 40 EDAB Cc1ccc([C@@](O)(CCNC(=O)c2ccnn2C)C(F)(F)F)o1 69415961 WZTPQYXNFWFYLI-ZDUSSCGKSA-N 331.294 1.892 0 40 EDAB C[C@@H](NC(=O)CN1CCN(Cc2nccn2C)CC1)c1cccs1 69455137 FKNQMMDBWADEQH-CQSZACIVSA-N 347.488 1.477 0 40 EDAB O=C(NCc1ccc(-n2cncn2)nc1)c1cc(=O)[nH]c2ccccc12 47287680 GBDRCXKSEBISSB-UHFFFAOYSA-N 346.350 1.434 0 40 EDAB Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 22934755 MGCYNDXHYJADCJ-UHFFFAOYSA-N 344.459 1.138 0 40 EDAB Cc1nc(N2CCN(C(=O)c3ccsc3)CC2)c2cnn(C)c2n1 54123679 PDSJGFVCPAHUTR-UHFFFAOYSA-N 342.428 1.696 0 40 EDAB NC(=O)CCN(C(=O)CSc1ncccn1)c1ccc(F)cc1 16747434 NQGIGJFGZSPNQV-UHFFFAOYSA-N 334.376 1.616 0 40 EDAB CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1COCCO1 110640044 PHMGYENDHPCZOS-QZTJIDSGSA-N 332.444 1.772 0 40 EDAB CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 24090728 SQOBXLLBHYRBEK-HOCLYGCPSA-N 334.416 1.955 0 40 EDAB CCn1nnnc1S[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 12534140 JPXPFCFNJSWFPG-ZDUSSCGKSA-N 346.460 1.522 0 40 EDAB O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4ccccc4N1[C@H]25)C/C3=C\CO 102854425 PNYOGGAOQVIZDM-RLXKCJEESA-N 334.419 1.996 0 40 EDAB CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 106661470 QMOFHIXMYYTSTP-HUUCEWRRSA-N 329.400 1.716 0 40 EDAB Cc1cc(CN(C)C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)no1 25136807 KIDIFZZCUCMUME-UHFFFAOYSA-N 342.355 1.307 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(C(=O)c2ccoc2)CC1 25238574 XRKRVHGQSLCGFK-UHFFFAOYSA-N 344.415 1.547 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 25320852 YMYKVPOVTIISCV-MFKMUULPSA-N 330.837 1.941 0 40 EDAB CN1C[C@@H](C(=O)NCCc2ccc(F)c(Br)c2)CC1=O 55865878 SPUSHMRFSYBIMI-JTQLQIEISA-N 343.196 1.725 0 40 EDAB Cc1cccc(C)c1OC[C@@H](C)NC(=O)CN(C)S(C)(=O)=O 56438998 FLXHRAHFQAARCO-CYBMUJFWSA-N 328.434 1.078 0 40 EDAB O=C(NCCCn1cncn1)NC[C@@H](c1ccco1)N1CCCCC1 47777754 SSHRYNNLRHHYEH-HNNXBMFYSA-N 346.435 1.788 0 40 EDAB CCc1cc(=O)oc2c(C)c(OCC(=O)NCCC(=O)O)ccc12 2091500 SGVJJHYHGAIABX-UHFFFAOYSA-N 333.340 1.634 0 40 EDAB biogenic COc1ccc([C@H](CC(=O)N2C[C@@H](C)O[C@H](C)C2)NC(C)=O)cc1 58062970 JQDHINZOPYUQLZ-XNJGSVPQSA-N 334.416 1.898 0 40 EDAB Cc1ccc(CNC(=O)c2nnc(CN3CCO[C@H](C)C3)s2)cc1 27576741 YDMSZWSWODFPAS-CYBMUJFWSA-N 346.456 1.997 0 40 EDAB CCOC(=O)c1nc(CN2CCN(C(=O)N(C)C)CC2)cs1 44977409 HJLHBCVZZAVBMV-UHFFFAOYSA-N 326.422 1.119 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc3c(c2)OCC(=O)N3)n1 44953368 JSINMDBEZZZOSD-NSHDSACASA-N 342.399 1.897 0 40 EDAB CN1N=C(C(=O)NCc2cc(Br)cs2)CCC1=O 44969237 HNRQMRMNHDTANK-UHFFFAOYSA-N 330.207 1.735 0 40 EDAB CN(Cc1ccccc1)C(=O)NCCCn1nc2n(c1=O)CCCC2 44972192 XXONFDKUTBCFNS-UHFFFAOYSA-N 343.431 1.613 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccc(Cn3cncn3)cc2)C[C@H](C)O1 48236999 DXZGDSGBFNZQJD-KBPBESRZSA-N 329.404 1.645 0 40 EDAB COC(=O)c1c(OC)c(OC)c(C(=O)OC)c(C(=O)OC)c1OC 68601690 QQTTUAIJJYBAJH-UHFFFAOYSA-N 342.300 1.072 0 40 EDAB Cc1csc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 3432547 VXCAMGKJJYBWCA-UHFFFAOYSA-N 343.455 1.830 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 70006750 VWDGYQVWEVOLFA-AWEZNQCLSA-N 347.415 1.291 0 40 EDAB CN(C(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 13001255 HRJWQLGIDKOQJP-UHFFFAOYSA-N 343.408 1.778 0 40 EDAB COc1cc(C(=O)NCc2nncn2C2CC2)cc(OC)c1OC 69324213 VQJUMXRVVBCVQW-UHFFFAOYSA-N 332.360 1.569 0 40 EDAB O=C(NCCCNC(=O)c1cccc(O)c1)NCCc1ccccn1 69349342 QIKHLAFFFWNTDX-UHFFFAOYSA-N 342.399 1.449 0 40 EDAB COc1ccc(NCC(=O)Nc2cc(C)on2)cc1-n1nnnc1C 69387693 DFJYRVSMIUSTLS-UHFFFAOYSA-N 343.347 1.326 0 40 EDAB O=S(=O)(Nc1ccccc1Cl)c1ccc2no[n+]([O-])c2c1 13690067 QLQJGPDUHTUKJQ-UHFFFAOYSA-N 325.733 1.915 0 40 EDAB O=C1OCC[C@H]1Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 5129789 VSBSRVUGFQEBAI-BXUZGUMPSA-N 346.408 1.983 0 40 EDAB Cc1cnn(C[C@H](C)NCC(=O)NC[C@@H]2COc3ccccc3O2)c1 69571490 AZTHNJSEUUZWSR-LSDHHAIUSA-N 344.415 1.126 0 40 EDAB C[C@H]1CN(c2ccc(F)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 13815818 SDDWEGXDQZKNLR-JTQLQIEISA-N 343.362 1.361 0 40 EDAB CCn1cc(CC(=O)NS(=O)(=O)c2cnn(C)c2)c2ccccc21 69631394 LXZKMLLEYGQPHE-UHFFFAOYSA-N 346.412 1.442 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)NO[C@H]3CCCCO3)CC2=O)cc1 69619710 YFYIKXGIVGKFMC-PBHICJAKSA-N 348.399 1.618 0 40 EDAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nccn3C)nc2c1 6369981 DENVCPMNDYDRGV-UHFFFAOYSA-N 330.369 1.736 0 40 EDAB Cc1csc(N2CCN(C[C@H](O)CN3CCC(C)CC3)CC2)n1 69656288 VGLQDJWTJJOXON-MRXNPFEDSA-N 338.521 1.666 0 40 EDAB Cc1ccc(-c2noc(CCC(=O)N3CC[C@H](C(N)=O)C3)n2)cc1F 65473822 SPZLBLRAJORALE-LBPRGKRZSA-N 346.362 1.451 0 40 EDAB C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCNC(=O)C1 65564866 GHRWWPVLKZLXRF-CYBMUJFWSA-N 339.395 1.803 0 40 EDAB Cc1cccc(C)c1NC(=O)N1CCC(NS(C)(=O)=O)CC1 65536020 HOPFMILGOFORNK-UHFFFAOYSA-N 325.434 1.849 0 40 EDAB C[C@H]1CN(C(=O)NCCCS(=O)(=O)c2ccccc2)C[C@H](C)O1 65592256 YJEUADOMKAKEJS-KBPBESRZSA-N 340.445 1.669 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccccc1 4592792 YAUJOEZIYZSDQI-AZQPONJRSA-N 341.363 1.444 0 40 EDAB COC(=O)[C@@H](O)C1CCN(Cc2cn(-c3ccccc3)nc2C)CC1 92014462 GKVKHNMQLPNXSA-SFHVURJKSA-N 343.427 1.927 0 40 EDAB CN(Cc1nc2ccccc2n1C)C(=O)CCCNC(=O)C1CC1 69894260 ZKQMJTAYSYJUHI-UHFFFAOYSA-N 328.416 1.838 0 40 EDAB COC[C@]1(C)NC(=O)N(Cc2ccc(Br)s2)C1=O 66082806 ZJZASDSEYVGUTA-NSHDSACASA-N 333.207 1.968 0 40 EDAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H](CS(N)(=O)=O)C1 69816882 BUWNNGOLKRAMQM-AWEZNQCLSA-N 340.445 1.209 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)c1ccc(-c2ccco2)[nH]c1=O 75124939 ZDXJURZFHZDMKI-UHFFFAOYSA-N 340.383 1.958 0 40 EDAB O=c1cc(CN2CCO[C@H](c3ccccc3F)C2)[nH]c2ccnn12 66498130 CUHHUBDAIYMTEO-HNNXBMFYSA-N 328.347 1.735 0 40 EDAB C[C@H](Cc1ccccc1F)NC(=O)N(C)[C@H](C)CS(C)(=O)=O 69931578 IEOLVQTWLACIOL-VXGBXAGGSA-N 330.425 1.831 0 40 EDAB CCOc1ncccc1NC(=O)C(=O)NC[C@H](C)CN1CCCCC1 69922242 NPBZKYFOWQPCNH-AWEZNQCLSA-N 348.447 1.657 0 40 EDAB CNC(=O)NCC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 90043520 VDYYIUFKQZASIM-MQVJKMGUSA-N 330.432 1.227 0 40 EDAB Cc1ccc2[nH]c3c(=O)n4c(nc3c2c1)S[C@@H]1CS(=O)(=O)C[C@H]14 67341803 MKZWIUFCZOYATJ-GHMZBOCLSA-N 347.421 1.630 0 40 EDAB CCCNC(=O)CN1CCN(C(=S)NCc2ccccc2)CC1 15512885 DAGMWOYUPXSAQX-UHFFFAOYSA-N 334.489 1.205 0 40 EDAB O=C(CCCNc1nc(Cl)nc2[nH]cnc12)NCc1ccncc1 8992596 UMIJVABCAFSMJQ-UHFFFAOYSA-N 345.794 1.910 0 40 EDAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@H]2CCCO2)C1=O 7501631 JIUXHIVEPPUKTL-SJKOYZFVSA-N 332.356 1.404 0 40 EDAB CC(C)CNC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2O)CC1 80930555 DRSGPINRVUYEMF-CQSZACIVSA-N 333.432 1.311 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1 116601373 AZYLRMYTMAJWTK-UHFFFAOYSA-N 346.456 1.943 0 40 EDAB CC[C@@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)C[C@H]1N(C)C 89948411 BQYHXCLXELDMAW-RHSMWYFYSA-N 342.443 1.585 0 40 EDAB O=C1CN(C(=O)CCc2ccc(Br)cc2F)CCN1 71841935 FYBFHYKAPWKORN-UHFFFAOYSA-N 329.169 1.479 0 40 EDAB O=C(CCc1cccs1)N1CCN(C(=O)Cc2ccccn2)CC1 71799494 OIIOFQYXMOJSCM-UHFFFAOYSA-N 343.452 1.989 0 40 EDAB Cc1cc(C)n2nc(CC(=O)N3CCN(C4CCCC4)CC3)nc2n1 71795531 OMDSYOHQTTXZON-UHFFFAOYSA-N 342.447 1.370 0 40 EDAB O=C([C@@H]1CCCN1C(=O)COCc1ccccc1)N1CCOCC1 71893215 PASYBMUKQMBHAH-INIZCTEOSA-N 332.400 1.053 0 40 EDAB O=C([C@H]1CCCN1C(=O)CCc1cscn1)N1CCSCC1 71898266 JEGHWJVKMVNVPY-CYBMUJFWSA-N 339.486 1.642 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)CN1CCCC[C@H]1Cn1cncn1 71876136 SWUPSHYECHXYLI-KRWDZBQOSA-N 345.422 1.930 0 40 EDAB O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1cnn[nH]1 71896826 VCXDWMRTDAYHML-SECBINFHSA-N 336.193 1.576 0 40 EDAB O=C(Nc1ccc(Cn2ccccc2=O)cc1)N[C@H]1CCCNC1=O 75582220 CNLLCCHMMXCTMQ-HNNXBMFYSA-N 340.383 1.297 0 40 EDAB O=C(NCc1cn2c(n1)CCCC2)C(=O)Nc1ccc2[nH]ccc2c1 71920385 ASLXOVBRMZYMEX-UHFFFAOYSA-N 337.383 1.956 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCCc2ccccn2)cc1 71913658 QTWLYFIRLJFMPA-CQSZACIVSA-N 348.424 1.843 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCC[C@H](n4nc(C)nc4C)C3)c2n1 75602767 KXMVXHUIKRELRV-AWEZNQCLSA-N 339.403 1.723 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1nccn1CC(F)(F)F)CC2 75603628 RSFHLZOWCAVDKW-JTQLQIEISA-N 328.342 1.704 0 40 EDAB Cc1csc(CCCNC(=O)NC[C@@](C)(O)c2cnn(C)c2)n1 76021101 RWFGPFKNOUFTLI-OAHLLOKOSA-N 337.449 1.325 0 40 EDAB O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 76018262 PJZMDRSYZLSLIZ-LBPRGKRZSA-N 343.362 1.817 0 40 EDAB O=C(CN(CCCCO)C1CC1)NCCCN1CCCCCC1=O 72294852 PPDSIZWCXZAZKD-UHFFFAOYSA-N 339.480 1.132 0 40 EDAB C[C@@H](C(=O)N[C@H](C(N)=O)c1ccccc1)N(C)Cc1ccccc1 72288299 JDENPDJHBZJRDU-YOEHRIQHSA-N 325.412 1.850 0 40 EDAB Cc1ccccc1NC(=O)C(=O)NCC[S@@](=O)Cc1ccccc1 72287032 UZDCBSGUIFSSKE-DEOSSOPVSA-N 344.436 1.999 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@@H]1N1CCOCC1 76053223 CYSQCAYWCAWIIY-HOCLYGCPSA-N 344.415 1.317 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@@H]3CCOc4ccccc43)CCO2)n1 76044819 DPLYTYZVDUJAMN-UKRRQHHQSA-N 328.372 1.579 0 40 EDAB Cc1cc(C)cc(-n2ncc(C(=O)N(CCO)CC(F)(F)F)n2)c1 97081748 XRUCNHFIIMNMPH-UHFFFAOYSA-N 342.321 1.881 0 40 EDAB Cc1cccc2c(CC(=O)N3CCC[C@H]3CS(N)(=O)=O)c[nH]c12 84229893 UKJWTRZIJSKJAP-ZDUSSCGKSA-N 335.429 1.298 0 40 EDAB NC(=O)c1cnc(N2CCN(Cc3c(F)cccc3Cl)CC2)cn1 97140603 ZKGIYDPEAWYBDU-UHFFFAOYSA-N 349.797 1.690 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(CC2CCOCC2)C1 84304149 GBRBDWGXYJOODB-INIZCTEOSA-N 333.480 1.625 0 40 EDAB Cn1nnnc1SCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 77210928 OOXDJDAOYVUBOH-GFCCVEGCSA-N 337.380 1.041 0 40 EDAB O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CC[C@]2(CCOC2)C1 95410775 IVVPFYPDRVVCJU-YJBOKZPZSA-N 332.375 1.818 0 40 EDAB O=S1(=O)CC[C@H](N(CCO)Cc2ccc(OCC(F)F)cc2)C1 95453779 OCOUXTQGRJKLLZ-ZDUSSCGKSA-N 349.399 1.312 0 40 EDAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1c(C)nn(CCO)c1C 84736274 VZZYXXZOYAQISN-CRAIPNDOSA-N 348.491 1.619 0 40 EDAB CC(C)CN1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 73868686 WPVQQQGLEJJJTC-UHFFFAOYSA-N 328.342 1.921 0 40 EDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)Cc1cnn(C)c1 95939201 OPCQZLFHBSHVBP-SFHVURJKSA-N 340.427 1.915 0 40 EDAB Cc1cccc(N2CCN(CCC(=O)N[C@@H]3C=C[C@H](CO)C3)CC2)c1 95976851 IEEINLJTZQTHFF-ZWKOTPCHSA-N 343.471 1.560 0 40 EDAB CCC[C@@H]1NC(=O)N(CC(=O)NCC2(c3ccccc3)CC2)C1=O 95949420 LLQTXJSLYVTAQA-AWEZNQCLSA-N 329.400 1.555 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)N2CCC(n3cncn3)CC2)C12CCC2 74604128 WYVUTKOMSOLWME-CABCVRRESA-N 333.436 1.972 0 40 EDAB Cc1cc(F)cc(C(=O)NCCc2ccc(OCC(N)=O)cc2)c1 79582639 PYDOFFHOPFFOHU-UHFFFAOYSA-N 330.359 1.971 0 40 EDAB CC[C@H]1CCc2ccccc2N1C(=O)CN1CCS(=O)(=O)CC1 75093906 UCBBASXFSLPLLQ-HNNXBMFYSA-N 336.457 1.475 0 40 EDAB NC(=O)CN1CCO[C@H](COc2ccc(Br)cc2)C1 217499156 AOHPAGAPNHUZED-LBPRGKRZSA-N 329.194 1.014 0 40 EDAB NC(=O)[C@H]1CC(=O)N(c2cccc(I)c2)C1 216873487 BZZWOQWBYPVIGT-ZETCQYMHSA-N 330.125 1.129 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCCn2ccnc2)[C@H]1c1cccc(Cl)c1 79359196 JCQQBFVCQQBCTH-GOEBONIOSA-N 346.818 1.872 0 40 EDAB CN(C)CCN1C[C@H](C(=O)NC2(c3ccccc3F)CC2)CC1=O 73821399 XNYNBCGZFQIECI-CYBMUJFWSA-N 333.407 1.341 0 40 EDAB Nc1nc(N2CCN(c3cccc(Cl)c3)CC2)c2nc[nH]c2n1 31818968 HIHNIQIIDQNRDF-UHFFFAOYSA-N 329.795 1.915 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1 30584145 LPDINMHWJQJPGN-CYBMUJFWSA-N 330.837 1.884 0 40 EDAB O=C([C@H]1CCCN1C(=O)c1noc2c1CCCC2)N1CCOCC1 79001309 PMEZDXXUZYVDPU-CYBMUJFWSA-N 333.388 1.017 0 40 EDAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1F 77844672 CYPOXXCMALCNGD-VXJOIVPMSA-N 332.322 1.956 0 40 EDAB C[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 217405642 FYFGEWYFSABBCF-AZKPJATDSA-N 333.727 1.871 0 40 EDAB CC(=O)N[C@@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C 78879513 SCGVEVKCGSRSQJ-QWHCGFSZSA-N 327.425 1.273 0 40 EDAB O=C(O)c1cnc(N2CCC(O)CC2)nc1COc1ccc(F)cc1 72265501 QRMLFEKUYXETEO-UHFFFAOYSA-N 347.346 1.854 0 40 EDAB NC(=O)CCc1cccc(C2CCN(C(=O)c3cccnc3)CC2)n1 72360480 CFDLXDRXIUDCOW-UHFFFAOYSA-N 338.411 1.914 0 40 EDAB Cc1nc(N2CCC(C(=O)N3CCN(C)CC3)CC2)c2cc[nH]c2n1 80947777 YTFXUDKBWFQNIJ-UHFFFAOYSA-N 342.447 1.257 0 40 EDAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1ccc3ccccc3n1)CC2 225788550 KJHIPWJMMUCPRY-AWEZNQCLSA-N 334.379 1.616 0 40 EDAB COCCc1nsc(N2CC[C@H](Oc3cccnc3N(C)C)C2)n1 225575478 DNBVHUAHCAQXFB-LBPRGKRZSA-N 349.460 1.846 0 40 EDAB Cc1cc(N2CCC(NC(=O)c3cc4n(n3)CCCO4)CC2)n[nH]1 225751468 WYALXUJSXGNWML-UHFFFAOYSA-N 330.392 1.096 0 40 EDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)Cc3cccnc3)C2)n1 225405281 CBQGCSMUAUBOQU-CQSZACIVSA-N 327.388 1.160 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2 225820145 DJRUASKJURBXRG-UHFFFAOYSA-N 339.413 1.845 0 40 EDAB CCC[C@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)cc1 225957299 WPPRPUUGNLICPP-WFASDCNBSA-N 342.461 1.980 0 40 EDAB O=C([C@H]1Cc2ccccc2CO1)N1CC[C@H](Oc2cnccn2)C1 225795984 CFFIETNXENUHNC-JKSUJKDBSA-N 325.368 1.598 0 40 EDAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1n[nH]c2c1CCCCC2 190264576 QZAHNOUGORKIMC-ZDUSSCGKSA-N 336.461 1.672 0 40 EDAB CSCC[C@@](C)(O)CNC(=O)C(=O)NCc1ccc(F)cc1 75157617 OOHYPZKGXGKHAW-OAHLLOKOSA-N 328.409 1.062 0 40 EDAB O=C(c1cn(Cc2ccccc2)cc2c(=O)[nH]nc1-2)N1CCOCC1 42380727 CMOYOXJBBUPHGT-UHFFFAOYSA-N 338.367 1.197 0 40 EDAB CC(C)Nc1nc(NCCO)nc(N2CCC[C@H]2c2cnn(C)c2)n1 225819527 KJIJSRZGNZAFIQ-ZDUSSCGKSA-N 346.439 1.171 0 40 EDAB COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)[C@@H](C)SC)nn1 195529923 MULSEXVRUDPKCF-JLLWLGSASA-N 327.406 1.843 0 40 EDAB CN(C)C(=O)N1CCN(Cc2cccs2)C[C@@]2(CNC(=O)C2)C1 96035964 XSXMAAUMCHUTNT-MRXNPFEDSA-N 336.461 1.054 0 40 EDAB CN(CC(=O)NCc1ccc(Br)cc1)[C@@H]1CCC[C@@H]1O 96456888 GHHHDWRPTCPFFC-KGLIPLIRSA-N 341.249 1.911 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CCCOCC2)cc1CC(=O)O 578017581 FCJCDHSEJBWKGT-LBPRGKRZSA-N 343.401 1.170 0 40 EDAB O=C(c1cnccn1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96218259 JNCOVEDVAFPHAW-LZWOXQAQSA-N 326.356 1.323 0 40 EDAB CCS(=O)(=O)N1CCO[C@]2(CCCN(c3ccccn3)C2)C1 96226386 URRZMNQKCPTKAA-HNNXBMFYSA-N 325.434 1.103 0 40 EDAB O=C(O)[C@H](NS(=O)(=O)C[C@H]1CCOC1)c1ccc(Cl)cc1 578577529 QIGUXEAXDONAQU-JOYOIKCWSA-N 333.793 1.422 0 40 EDAB O=c1cc(CN2CCCC2)nc2n1CCCN(Cc1ccoc1)C2 96059571 QVCLRSFJBWOMSR-UHFFFAOYSA-N 328.416 1.838 0 40 EDAB CCS(=O)(=O)NCCCN1CCC(c2ccc(O)cc2)CC1 95435308 DTKCGFXINKXSCW-UHFFFAOYSA-N 326.462 1.901 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)c2cccn2C(C)C)s1 97230197 UYMZIMMSVNHZGR-UHFFFAOYSA-N 341.458 1.969 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CN(C)C)cn1 579542853 OXEORUFUWVFEHT-UHFFFAOYSA-N 348.428 1.304 0 40 EDAB CN1C(=O)[C@H](c2cccnc2)CC12CCN(Cc1cnn(C)c1)CC2 96199492 PCNJBXAWSJZMPK-KRWDZBQOSA-N 339.443 1.796 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCCOC1 96422428 ZOVGKBMQECGAMG-IAGOWNOFSA-N 331.460 1.740 0 40 EDAB O=C1NCCO[C@H]2CN(C(=O)Cc3csc4ccccc34)CC[C@@H]12 96107084 CRMGVVATKUVEMM-CABCVRRESA-N 344.436 1.807 0 40 EDAB CS[C@H]1CC[C@@H](NC(=O)NCCN2CCC(N(C)C)CC2)C1 96452377 JHPFRALIVFSIKM-HIFRSBDPSA-N 328.526 1.596 0 40 EDAB Cc1cccc(S(=O)(=O)N2Cc3nccn3C[C@@H](CN(C)C)C2)c1 96188247 FQNSKITUNGASSB-OAHLLOKOSA-N 348.472 1.574 0 40 EDAB Cc1cc(CN2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)n(C)n1 248065272 WCIQENDUQYLBCY-GOSISDBHSA-N 349.475 1.905 0 40 EDAB CN(CC(=O)NCc1ccccc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 245338978 PTICWOPDEFABMG-HZPDHXFCSA-N 338.473 1.590 0 40 EDAB CCc1cc(C(=O)N(C)C[C@]2(O)CCN(c3cc(C)ncn3)C2)no1 257325376 WSSGBGGZPPVZPQ-QGZVFWFLSA-N 345.403 1.049 0 40 EDAB Cc1cc(O)nc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257290110 QBQBDNLJSIBMPI-SNVBAGLBSA-N 341.414 1.314 0 40 EDAB COc1cc(CCC(=O)N[C@@H]2CCCN(c3ccccn3)C2)on1 257326218 WWHYLLHVNOXTQI-CYBMUJFWSA-N 330.388 1.796 0 40 EDAB CCn1ncc(CN[C@@H](C(N)=O)c2cccc(Br)c2)n1 585087109 BGCZVBIAUDBIIM-GFCCVEGCSA-N 338.209 1.377 0 40 EDAB O=C(N[C@@H]1CC[C@@H](N2CCN3C(=O)CC[C@H]3C2)C1)c1cccc(F)c1 585079709 USDQGXCYBJNULF-ZACQAIPSSA-N 345.418 1.783 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)CCCn2cncn2)C1 257334928 YHXBSPBKEVEHHB-CQSZACIVSA-N 343.435 1.371 0 40 EDAB O=C(CN1CCCCCC1=O)NCc1ccncc1Br 585134552 YWTDGJATOFJDQV-UHFFFAOYSA-N 340.221 1.863 0 40 EDAB Cn1cncc1CN1CCOC[C@H](Cc2nccn3cccc23)C1 257303405 SHBSYFMWXSKCKR-OAHLLOKOSA-N 325.416 1.759 0 40 EDAB O=C1CO[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC[C@@H]2N1 257308204 TVVLUHDZTRIDKY-STQMWFEESA-N 342.317 1.825 0 40 EDAB Cc1nc2ccc(N3CCC[C@@H](c4nncn4C(C)C)C3)nn2n1 252499325 RYUDFTNXCCTXNP-CYBMUJFWSA-N 326.408 1.989 0 40 EDAB O=C(N[C@H]1CCCNC1=O)c1cccn(Cc2ccccc2F)c1=O 257274686 NMDAPBBQCVDSNA-HNNXBMFYSA-N 343.358 1.044 0 40 EDAB O=C1OC2(CCOCC2)CN1c1cc(CC2CCNCC2)ncn1 257314379 UWRLTAHFDKVIAQ-UHFFFAOYSA-N 332.404 1.525 0 40 EDAB c1ccc(CN2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1 253590012 ATPDMWIPHMPXRB-ROUUACIJSA-N 328.416 1.728 0 40 EDAB Cc1ccn(CCC(=O)NCc2ccnc([C@@H]3CCCOC3)n2)n1 257207946 BKAGJILHWWBVIV-CQSZACIVSA-N 329.404 1.582 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)C[C@H]1CCCCC1(F)F 450989211 DEBYAQBVGWBXGA-LLVKDONJSA-N 326.409 1.600 0 40 EDAB CO[C@@]1(C(F)(F)F)CCN(C(=O)c2cnn3ccc(N)cc23)C1 1615547763 PZBIFLXTHUUPKH-ZDUSSCGKSA-N 328.294 1.710 0 40 EDAB C[C@](O)(CNC(=O)c1cccc(-c2cnco2)c1)CN1CCOCC1 1615557145 HIVWAEDHJDJJDY-SFHVURJKSA-N 345.399 1.155 0 40 EDAB O=S(=O)(Nc1cnn([C@@H]2CCOC2)c1)c1cc(F)ccc1F 96123276 VNNIRFXLSNVTTA-LLVKDONJSA-N 329.328 1.924 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c(C)c1 390832068 XAJVYQXMVAXPAL-CQSZACIVSA-N 336.399 1.750 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCCn1ccc2ccn(C)c2c1=O 575415075 YZFQCKRZQZYJDW-UHFFFAOYSA-N 327.388 1.120 0 40 EDAB O=C(c1cncc(O)c1)N1CCC[C@@](O)(COc2cccc(F)c2)C1 585278378 RRSUDTFGKLIAKS-SFHVURJKSA-N 346.358 1.972 0 40 EDAB COc1cc(OC)c2c(c1)N(C(=O)CCn1cnccc1=O)CCC2 585124070 HWYVGJTYKVNYRX-UHFFFAOYSA-N 343.383 1.630 0 40 EDAB O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H](O)Cc1ccccc1 684466463 ZIPCUUSKNRMVLI-RYRKJORJSA-N 331.412 1.577 0 40 EDAB COc1cc(CNC(=O)NC2CCCCC2)ccc1OCC(N)=O 44966229 IKFFMPNMHXCSHD-UHFFFAOYSA-N 335.404 1.691 0 40 EDAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)Cn2cnnn2)C1 46980487 VGISZOWSDWODSV-AWEZNQCLSA-N 328.420 1.221 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CCc2ccccn2)CC1 83888648 BTNRDBUMOJSYIO-INIZCTEOSA-N 344.459 1.169 0 40 EDAB CS(=O)(=O)[C@H]1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1 96098123 DJTKAWMHBYSHEC-IXUJDMMCSA-N 326.462 1.784 0 40 EDAB Cn1nc(C(=O)N2CCC[C@@H](CC(N)=O)CC2)cc1C(F)(F)F 1615612291 DLACZDFEIJFCGQ-SECBINFHSA-N 332.326 1.557 0 40 EDAB CCn1cc(CN(C)C(=O)[C@@]2(N)CCc3c(OC)cccc32)cn1 1615615876 SWZCVPFXVOGZGD-GOSISDBHSA-N 328.416 1.670 0 40 EDAB CCOC(=O)C1=NN[C@@H](S(=O)(=O)C(C)(C)C)[C@@H]1c1ccccc1 5048842 BYCRYVXIRAYLCZ-OCCSQVGLSA-N 338.429 1.832 0 40 EDAB Cn1c(=O)[nH]c(=O)n(-c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O 5642178 CENLNIXLEXCPJM-UHFFFAOYSA-N 345.742 1.670 0 40 EDAB O=S(=O)(c1ccc(N2CCOCC2)c(Cl)c1)N1CCOCC1 15935983 VYESPHFCRJNPPT-UHFFFAOYSA-N 346.836 1.198 0 40 EDAB COc1cccc(Cl)c1CC(=O)NC[C@@](C)(O)c1cnn(C)c1 153720089 XHFZRBCCBCNAJA-MRXNPFEDSA-N 337.807 1.649 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)NCc1ccnc(N(C)C)n1 207981484 UHRZNEZXAPNOLZ-UHFFFAOYSA-N 336.417 1.338 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2cccs2)NC(=O)N[C@]1(O)C(F)(F)F 67172 PGEUKBIMRDIPOG-VHSKPIJISA-N 338.307 1.532 0 40 EDAB COc1cc(OC)cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2)c1 575611420 XFTCFCYSZVAXOS-AWEZNQCLSA-N 334.416 1.687 0 40 EDAB O=C(c1cnn2c1OCCC2)N1CCC[C@H](Oc2ncc(F)cn2)C1 585147251 HUIUSLQNBITZQS-LBPRGKRZSA-N 347.350 1.278 0 40 EDAB Cn1cnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1=O 1888853870 MDAIMDZOFFQORK-UHFFFAOYSA-N 339.321 1.521 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2CCC[C@]2(COc2ncc(C)cn2)C1 1888857059 CBVMOJIGNVZORJ-DZGCQCFKSA-N 325.434 1.616 0 40 EDAB Cc1nc2ncnn2c(N2CCN(c3ccc4nccn4n3)CC2)c1C 1888914134 PPYGEJHUHONXKV-UHFFFAOYSA-N 349.402 1.110 0 40 EDAB O=C(NCc1ccccc1)C(=O)NC[C@@]1(O)CCCc2sccc21 1889141347 XCDDZQDTOCMBEW-SFHVURJKSA-N 344.436 1.705 0 40 EDAB Cc1nc(-c2ccsc2)sc1C(=O)OCC(=O)NC(N)=O 32777443 UTPCXINEAAXHRU-UHFFFAOYSA-N 325.371 1.532 0 40 EDAB Cc1nnc2ccc(N3CCCN(C(=O)[C@@H]4CC=CCC4)CC3)nn12 1775986175 YXIAYJODGKLMJX-OAHLLOKOSA-N 340.431 1.828 0 40 EDAB O=C(c1ccccc1)N1CCO[C@@H]2CN(C(=O)C3(F)CC3)C[C@@H]2C1 1565552677 SGGNPHRHYYIHOA-LSDHHAIUSA-N 332.375 1.488 0 40 EDAB O=C1C[C@H](c2cccnc2)C2(CCN(C(=O)c3cc[nH]n3)CC2)N1 1565548341 AVYSISRZKVXQQI-CYBMUJFWSA-N 325.372 1.083 0 40 EDAB O=C(NC1CC2(CCN(C(=O)c3cc[nH]c3)C2)C1)c1cscn1 1565543991 VXKBXRYPWKSEFJ-UHFFFAOYSA-N 330.413 1.896 0 40 EDAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1 4263850 DYKWQZNRWPNORV-UHFFFAOYSA-N 326.308 1.840 0 40 EDAB CCOC(=O)CN1C(=O)S[C@@H](Nc2cccc(C(=O)O)c2)C1=O 4271912 QIEAQFXGXNJTBD-LLVKDONJSA-N 338.341 1.381 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2sccc2C)C1 2055772345 AOVBKHWHBDQCJZ-MRXNPFEDSA-N 332.429 1.631 0 40 EDAB CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22907362 KAVHOLZHZRZDQK-HNNXBMFYSA-N 327.384 1.241 0 40 EDAB O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccc[nH]c1=O 38754910 BPRAWNGFCWISEC-UHFFFAOYSA-N 339.307 1.689 0 40 EDAB C[C@@H](c1ccccc1)N(C)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O 8280269 GUKVAUJOEDWJSA-ZDUSSCGKSA-N 337.379 1.909 0 40 EDAB Cn1c(=O)n(C)c2cc([C@@H](NC(=O)c3ccccc3)C(=O)O)ccc21 30834296 WSFYSOJAQNQHTL-OAHLLOKOSA-N 339.351 1.433 0 40 EDAB COC(=O)Cn1/c(=N/C(=O)c2ccn(C)n2)sc2cccc(F)c21 101337896 VCMHHRLQEUGHSB-ICFOKQHNSA-N 348.359 1.490 0 40 EDAB O=C(C[C@@H]1C=CCC1)N1CCN(c2nnnn2-c2ccccc2)CC1 30669955 SDPBGGHQCLPEJM-OAHLLOKOSA-N 338.415 1.667 0 40 EDAB CC[C@H]1CN(C(=O)CSCC(=O)Nc2cc(C)on2)CCO1 30858416 FOQNNWXXQNFYGU-NSHDSACASA-N 327.406 1.292 0 40 EDAB CC(C)CN1C[C@H](C(=O)NCc2cccnc2-n2cccn2)CC1=O 31226906 ITTNHPODWFTPSQ-OAHLLOKOSA-N 341.415 1.388 0 40 EDAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@H]1CC(=O)N(CC2CC2)C1 40508815 AZHSPEZUARZQAM-ZDUSSCGKSA-N 325.372 1.464 0 40 EDAB COc1ccc(OC)c(NC(=O)Cc2nc3nc(C)cc(C)n3n2)c1 40529177 QELGAVZOUHHEQB-UHFFFAOYSA-N 341.371 1.940 0 40 EDAB COCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680780 YKOZUPQOCROEJS-UHFFFAOYSA-N 346.474 1.689 0 40 EDAB COCCNC(=O)CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 20724788 JJLHBSBTSUUWOQ-UHFFFAOYSA-N 347.390 1.735 0 40 EDAB O=C(NCCCNC1CCCCC1)c1nc2ccccc2c(=O)[nH]1 20728605 BVPYBPNAGUKYNW-UHFFFAOYSA-N 328.416 1.965 0 40 EDAB Cc1ccccc1C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 29188671 RBACGAAMXGJXOB-KBPBESRZSA-N 340.445 1.164 0 40 EDAB CC(C)NC(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O 57507418 USCHYEJBUZZNKX-UHFFFAOYSA-N 326.360 1.159 0 40 EDAB O=C(Cc1cn2ccsc2n1)N1CCN(c2ncccn2)CC1 8281508 AQGPHYZUKWVKKV-UHFFFAOYSA-N 328.401 1.077 0 40 EDAB O=C(NCC(=O)N1CCCC1)NCc1ccc(N2CCCC2=O)cc1 32795331 QXVMEOIZOSAJOV-UHFFFAOYSA-N 344.415 1.235 0 40 EDAB O=C(CNC(=O)c1ccco1)Nc1ccc(OCC(F)(F)F)nc1 32930626 MRMQKCQGFXDFEG-UHFFFAOYSA-N 343.261 1.984 0 40 EDAB CCS(=O)(=O)NCCNc1nc(C(F)(F)F)nc2ccccc12 69417387 XUOQBMCGNWSHJM-UHFFFAOYSA-N 348.350 2.000 0 40 EDAB O=c1cc(CN(C[C@H]2CCCO2)C[C@H]2CCCO2)nc2ccccn12 52850192 MNKQFHSRGGQDJF-IAGOWNOFSA-N 343.427 1.855 0 40 EDAB COc1ccc(OCCSc2nc(C)c(CCO)c(=O)[nH]2)cc1 11905775 GUQPQDZBRLNTRT-UHFFFAOYSA-N 336.413 1.793 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)N[C@H]1CCN2CCCC[C@@H]12 60573459 FBQDPFRKEZJVPT-KBPBESRZSA-N 346.456 1.591 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cn(-c2ccc(Cl)cc2)nn1 33213543 POGYGXIBLGSMIT-AWEZNQCLSA-N 347.806 1.661 0 40 EDAB Cc1ccc(CNC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 41648658 YNEXNPAEOBKZGB-CQSZACIVSA-N 325.434 1.218 0 40 EDAB CCc1cnc(N2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)nc1 107786000 HTWLGKMTACVUMK-PBHICJAKSA-N 326.404 1.679 0 40 EDAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCCn1cnnc1C1CC1 96412661 YKFCZOJJCHWLLS-CYBMUJFWSA-N 347.463 1.747 0 40 EDAB COC(=O)CCNC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 23193209 CMYPRSNVRGTAPT-UHFFFAOYSA-N 331.372 1.083 0 40 EDAB COC(=O)CN(CC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(F)c1 69705625 LNDRUNQHWOKJFB-UHFFFAOYSA-N 343.326 1.922 0 40 EDAB CN(C)C(=O)CN(CC(F)(F)F)C(=O)[C@H]1Cc2cccc(F)c2O1 96425030 JDOMFBZSDHZMPI-LLVKDONJSA-N 348.296 1.608 0 40 EDAB Cc1nn(C)c(C(=O)NCCCN2CCCC2=O)c1Br 2781452 PQOMLBRPGCQGQJ-UHFFFAOYSA-N 343.225 1.233 0 40 EDAB Cc1n[nH]cc1CNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 54039531 RDSGTZGMHWNXEB-UHFFFAOYSA-N 336.417 1.335 0 40 EDAB Cn1ncc2c(N3CCC(C(=O)Nc4nccs4)CC3)ncnc21 54061132 NBFWASHKZJFJRX-UHFFFAOYSA-N 343.416 1.675 0 40 EDAB C[C@@H]1CCc2c(sc3nnn(CC(=O)N4CCCCC4)c(=O)c23)C1 958806 HKKBFJGBRTWOPG-LLVKDONJSA-N 346.456 1.990 0 40 EDAB O=C(c1ccccc1-n1cnnn1)N1CCC[C@@H](N2CCCC2)C1 69892795 KBVIWJBUOIAAOY-CQSZACIVSA-N 326.404 1.363 0 40 EDAB O=c1c2cnc(N3CCSCC3)nc2nc(O)n1C1CCCC1 75165683 YZMLIDMDGCIXJY-UHFFFAOYSA-N 333.417 1.560 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)OC 61055448 PVSHXLVDVOWZPM-SJKOYZFVSA-N 348.399 1.506 0 40 EDAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@H]1CCN2CCCC[C@H]12 46998049 YCDDCVLPQAHKLM-DLBZAZTESA-N 325.412 1.856 0 40 EDAB CN(C)c1ccc(NC(=O)NCc2cccc(S(N)(=O)=O)c2)cn1 47032588 OXDOTOYAQLDLEX-UHFFFAOYSA-N 349.416 1.117 0 40 EDAB CC(=O)c1cccc(NC(=S)N2CCN(S(C)(=O)=O)CC2)c1 15952084 ZORYNIMPCNGXJF-UHFFFAOYSA-N 341.458 1.163 0 40 EDAB CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2F)CC1 57355098 HIUVSGURNXZSOF-YOEHRIQHSA-N 333.407 1.509 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNCCN1CCCCCC1=O 58419981 GVOOSFKVIFMBEY-UHFFFAOYSA-N 349.479 1.057 0 40 EDAB CCc1ccc(-c2ccc(C(=O)NCCNS(C)(=O)=O)o2)cc1 76065471 MIVATIVVFZYKTC-UHFFFAOYSA-N 336.413 1.788 0 40 EDAB CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCCCN1CCOCC1 100467118 SMKVZXNBOVLKBZ-TXPKVOOTSA-N 337.508 1.629 0 40 EDAB COC(=O)c1ccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)nn1 89643845 WGLXCGCIWMNFBD-GJZGRUSLSA-N 342.399 1.311 0 40 EDAB O=C(NCCc1ccc(O)cc1)c1cc(F)ccc1-n1cnnn1 12408263 KFIONGRRXYSAGT-UHFFFAOYSA-N 327.319 1.480 0 40 EDAB C[C@@H]1CN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 25480171 XTRCYIVYYGOCHL-HUUCEWRRSA-N 333.432 1.571 0 40 EDAB CCOC(=O)CNS(=O)(=O)c1ccccc1OC(F)(F)F 37565076 FKGJYWNYHZEFIJ-UHFFFAOYSA-N 327.280 1.427 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccccc2)CC1 57378934 ZCZLZYXNQUEKPQ-ZDUSSCGKSA-N 327.436 1.403 0 40 EDAB C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(Cl)cc1 10087148 DYFVUHGNZMXAIA-SNVBAGLBSA-N 345.790 1.661 0 40 EDAB CN(C)CC(C)(C)CNC(=O)c1ccc(CS(C)(=O)=O)cc1 44866092 ZRSCTIARFYDQPA-UHFFFAOYSA-N 326.462 1.549 0 40 EDAB COc1cc2c(cc1OC)-c1cc(NCCCO)nc(=O)n1CC2 2130648 JSBGUFBZGCWGTF-UHFFFAOYSA-N 331.372 1.278 0 40 EDAB biogenic Cc1ccc(C(=O)N2CCN(C(=O)c3cnccn3)CC2)c(O)c1 58223106 UOQFBINSXUYBIV-UHFFFAOYSA-N 326.356 1.089 0 40 EDAB O=C(CC1CCCC1)NCCC(=O)N1CCN(c2ccccn2)CC1 58213087 RRGYWZVOSVDKPG-UHFFFAOYSA-N 344.459 1.817 0 40 EDAB CC(=O)N1CCN(C(=O)c2n[nH]nc2Nc2ccc(C)c(C)c2)CC1 67284516 WXZYUDKYCFYARL-UHFFFAOYSA-N 342.403 1.469 0 40 EDAB O=S(=O)(c1cccnc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 44914511 JUFYOZLAOVTNJW-QGZVFWFLSA-N 347.440 1.122 0 40 EDAB O=C(COC(=O)c1ccc(Br)cc1)NC[C@H]1CCCO1 3265268 QJHAFEBMBDDLJR-GFCCVEGCSA-N 342.189 1.901 0 40 EDAB COc1cccc([C@@H](CNC(=O)N[C@H](C)Cn2cccn2)N(C)C)c1 89904376 GALLJPSDLPBHCK-RHSMWYFYSA-N 345.447 1.882 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NC[C@@H]1CCCO1 48263640 ACJRUCYPZNERSC-JSGCOSHPSA-N 340.445 1.972 0 40 EDAB O=C(NCc1nnc2n1CCC2)N1CCN(Cc2ccccc2)CC1 48302244 OXQUFUSULNSPLE-UHFFFAOYSA-N 340.431 1.252 0 40 EDAB Cc1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1C(N)=O 67311800 JPYPZOJKXFDZOO-UHFFFAOYSA-N 339.399 1.843 0 40 EDAB CN(Cc1c(F)cccc1Cl)C(=O)CN1CCN(CCO)CC1 48615861 VGPVRLBJIDUMEJ-UHFFFAOYSA-N 343.830 1.047 0 40 EDAB COC[C@@H](C)NC(=O)CSc1nc2ccccc2c2nc(C)nn12 13228941 VINWHLXAWBOVCL-SNVBAGLBSA-N 345.428 1.829 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)NCc1ccc2c(c1)OCO2 7977472 PYCJRHWCACMDQX-UHFFFAOYSA-N 343.364 1.503 0 40 EDAB O=C(O)CNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 49549982 LJZGTNKWESHWDS-UHFFFAOYSA-N 337.335 1.264 0 40 EDAB CN(C)CCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4435488 VKVOCPJCJPHUEK-MRXNPFEDSA-N 345.374 1.089 0 40 EDAB CCN1C[C@@H](C(=O)NCCNc2ncccc2C(F)(F)F)CC1=O 65409023 XNXQPPCRGRAWPL-JTQLQIEISA-N 344.337 1.497 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCCO2 5306348 WBHAGERDABWLNR-GQCTYLIASA-N 348.355 1.248 0 40 EDAB CN(C)C(=O)CNC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 65594261 SSSLWMQQDQQTMB-UHFFFAOYSA-N 347.806 1.616 0 40 EDAB CCN(CC)S(=O)(=O)CCNS(=O)(=O)c1cc(C)ccc1C 65591286 RWCGBFSTUXXLFZ-UHFFFAOYSA-N 348.490 1.253 0 40 EDAB COc1cc(OC)cc(C(=O)Nc2ccccc2-n2cnnn2)c1 6421530 KDLAFOGXWBASQB-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB CCN(CC)[C@H](CNC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccco1 65622381 DQUNMEZOTREWOB-UONOGXRCSA-N 342.461 1.604 0 40 EDAB COc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)N1CCOCC1 5578782 VJMCUHKHQWNOKS-UHFFFAOYSA-N 340.401 1.065 0 40 EDAB Cc1cccc(-n2nnn([C@H]3CC(=O)[C@@H]4OC[C@H]3O4)c2=S)c1C 6659597 XTYSWVFUHYWRRK-IACUBPJLSA-N 332.385 1.671 0 40 EDAB CCOC(=O)C1CCN(C[C@H](O)COCc2ccccc2F)CC1 6758126 YXSKQGPFAWESOF-INIZCTEOSA-N 339.407 1.978 0 40 EDAB O=C(NC1=NCCS1)C1CCN(C(=O)c2ccc(F)cc2)CC1 14817983 PGWBGZPWJMPKHY-UHFFFAOYSA-N 335.404 1.897 0 40 EDAB COCCNC(=O)COC(=O)c1cc(Br)ccc1O 4807997 GRDSTGRBPOJXFG-UHFFFAOYSA-N 332.150 1.074 0 40 EDAB COc1cccc(N2CC[C@@H](CNC(=O)NCc3cnn(C)c3)C2)c1 69587253 KZRMZGRFCRMMEI-AWEZNQCLSA-N 343.431 1.754 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2cc(F)cc(F)c2)C1 67562135 HBGKVRZGZPMGTP-NSHDSACASA-N 333.360 1.510 0 40 EDAB CN(C)C[C@H]1CN(CC(=O)N(C)[C@@H]2CCCc3ccccc32)CCO1 69969636 FVHOKLPUSVEIOV-PKOBYXMFSA-N 345.487 1.785 0 40 EDAB C[C@H]1CCc2ccccc2N1C(=O)CSc1nc(N)nc(N)n1 9514177 ZJJFISWPKMSJDZ-VIFPVBQESA-N 330.417 1.496 0 40 EDAB Cn1ncc(C(=O)N2CCC(Nc3cccnn3)CC2)c1C1CC1 71863465 MCOLKMFOVFQEIN-UHFFFAOYSA-N 326.404 1.804 0 40 EDAB CNC[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 71144445 AWKBWSKZHILIMX-JTQLQIEISA-N 333.251 1.679 0 40 EDAB C[C@H]1CN(C(=O)C2CCN(Cc3nnc(C4CC4)o3)CC2)C[C@H](C)O1 71824730 NVZWXVGFJKCBKV-STQMWFEESA-N 348.447 1.795 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2cccn(C)c2=O)n1 71871993 JFQZROHECVOQIY-HNNXBMFYSA-N 328.416 1.894 0 40 EDAB CC(C)N(C)C(=O)[C@@H]1CCCN(c2ncc(C(N)=O)cc2Cl)C1 71841023 UMOUNFFFNFTZAC-LLVKDONJSA-N 338.839 1.917 0 40 EDAB COc1cccc(CN2CCCC[C@H]2C(=O)N2CCOCC2)c1OC 93014550 CAPXGRJHHVWXIX-INIZCTEOSA-N 348.443 1.917 0 40 EDAB COCc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 71883822 NIVPTDUWZAIIRO-OAHLLOKOSA-N 345.443 1.905 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CCC[C@@H](N2CCNC2=O)C1 71841769 QEVDAFDCVOPKSF-OAHLLOKOSA-N 331.416 1.562 0 40 EDAB O=C(NCCCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCOC1 71893219 MBAWCWWFAYVREO-INIZCTEOSA-N 345.443 1.268 0 40 EDAB O=C(Nc1nc[nH]n1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 71869416 VNCDBFSBUSZZAI-VOTSOKGWSA-N 325.372 1.695 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CN2CCCCCC2=O)n1 71870041 ODKASNJCNFQXFI-MRXNPFEDSA-N 332.448 1.894 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ccnc3ncnn23)c(C)c1F 96013487 XSNDUOYQPPJMNK-UHFFFAOYSA-N 337.336 1.381 0 40 EDAB Cn1cc(S(=O)(=O)NCCNc2ccc3ccccc3n2)cn1 71914091 DGZDUWGUNHWTCJ-UHFFFAOYSA-N 331.401 1.359 0 40 EDAB CCS(=O)(=O)NCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 71910189 ORFHVLRFYHJPLD-UHFFFAOYSA-N 342.305 1.742 0 40 EDAB O=C(CN1CCCNC1=O)Nc1ccc(Br)cc1O 71956660 DUEJXYVAONCZFU-UHFFFAOYSA-N 328.166 1.509 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@@H](C)Cn2cccn2)cnc1Cl 71910216 HIZCCMDLKSCXHD-SNVBAGLBSA-N 328.825 1.855 0 40 EDAB Cc1cc(C(=O)NC2CCC(NS(C)(=O)=O)CC2)c(F)cc1F 84077318 AYJBEFODWWRNJN-UHFFFAOYSA-N 346.399 1.863 0 40 EDAB Cc1nc2c3ccccc3nc(N3CCN([C@@H](C)CO)CC3)n2n1 72280827 ANTXZACPXIHADY-LBPRGKRZSA-N 326.404 1.089 0 40 EDAB Cc1ccccc1SCC(=O)N1CCC[C@H](CS(N)(=O)=O)C1 72275205 QAXRJBHZLSXQMF-ZDUSSCGKSA-N 342.486 1.614 0 40 EDAB CC[C@@H]1CN(CC(=O)N[C@@H](C)c2cccs2)CCN1C[C@@H](C)O 72279701 VJXSOJNBTMKOJS-QLFBSQMISA-N 339.505 1.702 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)c1ncnc2c1cnn2CCO 97199721 RYTCLOSINBNEFO-UHFFFAOYSA-N 327.344 1.184 0 40 EDAB Cn1cccc1[C@H]1COCCN1C(=O)c1ccc(-n2cnnc2)cc1 97144120 PHFRZGUNVKMIJP-QGZVFWFLSA-N 337.383 1.820 0 40 EDAB O=C(Cn1ncn2nccc2c1=O)N(CC1CC1)C1CCCCC1 84618036 NLJPCNJOEZLWCA-UHFFFAOYSA-N 329.404 1.462 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCOc3ccccc32)nc1 95455558 MLEYBJOFZNMJJD-ZDUSSCGKSA-N 347.396 1.373 0 40 EDAB COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)o2)c1 95459445 LIXCZQDAHAADTO-UHFFFAOYSA-N 338.385 1.856 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNCc1cnc(N2CCN(C)CC2)nc1 95416631 MELVIPNRJOXBCY-SJLPKXTDSA-N 347.507 1.913 0 40 EDAB C/C(=C\C(=O)NCCCNS(C)(=O)=O)c1ccc(F)cc1F 98056424 YASNSFJAPZQTLU-CSKARUKUSA-N 332.372 1.424 0 40 EDAB O=C(c1ccccc1-n1cnnn1)N1CCO[C@@H](c2ccccc2)C1 73923181 TWPCVUUJIWLFSV-QGZVFWFLSA-N 335.367 1.876 0 40 EDAB CCN(CCNC(=O)N1CCC(O)(C(F)(F)F)CC1)C(C)C 95985207 WWFBETJQFKRZKS-UHFFFAOYSA-N 325.375 1.816 0 40 EDAB Cc1cc(C)cc(-n2nc(C(=O)N[C@@H]3CCN(C(N)=O)C3)cc2C)c1 95992068 IVHWZCXUALYKQY-CQSZACIVSA-N 341.415 1.680 0 40 EDAB C[C@H](NC[C@H]1COC(C)(C)O1)c1ccc(S(=O)(=O)N(C)C)cc1 95943524 PCLNZQJLQKDCFQ-JSGCOSHPSA-N 342.461 1.739 0 40 EDAB Cn1cc(CN2Cc3cncn3[C@@H](CNC(=O)CC3CC3)C2)cn1 306138849 SJIPHVMVRPJEGF-INIZCTEOSA-N 328.420 1.090 0 40 EDAB CN(C)c1cc(N2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)ncn1 306127229 FSLJGOZGDRDPCA-RRFJBIMHSA-N 340.431 1.501 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccccc2)cc1 20768357 IUNRUCPORZRIJX-UHFFFAOYSA-N 348.424 1.632 0 40 EDAB CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229562 XEQPEGSCLCICES-AWEZNQCLSA-N 340.445 1.683 0 40 EDAB CNC(=O)[C@@]12CCOC[C@H]1CN(C(=O)c1cc3nc(C)ccc3o1)C2 1551409748 NKOMMZDGTBHVAJ-KZULUSFZSA-N 343.383 1.361 0 40 EDAB CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)Nc1c(F)cccc1F 126771448 JDXQLAHKJJAREW-QMMMGPOBSA-N 326.221 1.285 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306128804 HKZISHLLWOMIEV-CABCVRRESA-N 332.400 1.505 0 40 EDAB C[C@H](C(F)(F)F)S(=O)(=O)N1CCC(CN2CCOCC2)CC1 182364315 CLYQGVYGDGWCPH-LLVKDONJSA-N 344.399 1.311 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@@H](Sc3ncnn3C)C2)cc1 521395122 MUEMWPGPEPSWKM-GFCCVEGCSA-N 338.458 1.679 0 40 EDAB COC(=O)c1cn(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc2c(O)nnc1-2 524735207 GISVIOIYKZFTQT-GDGBQDQQSA-N 330.344 1.381 0 40 EDAB CNC(=O)[C@@H]1CCCCN1CC(=O)NC1C2CC3CC(C2)CC1C3 533208314 NDXKOHCMGIRUHL-STWSTGMMSA-N 333.476 1.528 0 40 EDAB COCCNc1ccc(C[C@H]2CCCN(Cc3cnn(C)c3)C2)nn1 72387331 HSQGLELZJUBWND-OAHLLOKOSA-N 344.463 1.723 0 40 EDAB O=C(NC[C@H](O)c1cccc2ccccc12)C(=O)Nc1ccon1 70636185 IQMBIPKMLIXDLR-AWEZNQCLSA-N 325.324 1.616 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@]2(OCCO)CCSC2)s1 1565519690 LNKVMMBDYWQKEF-LBPRGKRZSA-N 337.488 1.219 0 40 EDAB Cc1ccn2cc(-c3ccc(NC(=O)Cn4cnnn4)cc3)nc2c1 124968647 RKXGLNXDFSZJRI-UHFFFAOYSA-N 333.355 1.935 0 40 EDAB CCn1c(NCc2c(C)nn(C)c2C)nc2c(C)nn(C)c2c1=O 32651935 BBWDAFFFWQBZDZ-UHFFFAOYSA-N 329.408 1.421 0 40 EDAB O=c1[nH]c(CNc2ccccc2)nn1Cc1nnnn1-c1ccccc1 40266558 OFKSAHFEZQLKQF-UHFFFAOYSA-N 348.370 1.208 0 40 EDAB COCc1nnc(NC(=O)c2cc(=O)n(C)c3ccccc23)s1 72404022 IKZNZPGYURULTR-UHFFFAOYSA-N 330.369 1.789 0 40 EDAB Cc1cc(Nc2cccc(CC3CCN(CC(N)=O)CC3)n2)no1 72361869 AKFLDZNTDGKAQD-UHFFFAOYSA-N 329.404 1.861 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 223394712 GZEZIGWHDXHPOX-WMLDXEAASA-N 341.411 1.954 0 40 EDAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C 223276194 LJHXVVIVDGVPLK-JKSUJKDBSA-N 329.473 1.954 0 40 EDAB Cc1ccc(O[C@H]2CCN(C(=O)COc3ccccc3F)C2)nn1 225423185 JRGXBJOVFYRACU-ZDUSSCGKSA-N 331.347 1.983 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(S(=O)(=O)CC(C)(C)C)C1 569389285 VKBPMFZJJKZIIW-NEPJUHHUSA-N 342.465 1.820 0 40 EDAB CCOC(=O)[C@@]1(F)CN(C(=O)c2cccc(OC)c2)CC12COC2 521394345 CREIEHIWYVOUSD-KRWDZBQOSA-N 337.347 1.439 0 40 EDAB CC(=O)NCc1ccc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)cc1 571947742 XULAPTJYTOEDAD-MRXNPFEDSA-N 348.399 1.419 0 40 EDAB C[C@H]1CN(S(=O)(=O)NC[Si](C)(C)c2ccccc2)C[C@@H](C)O1 195567544 LOHQDUXRRWVLSW-OKILXGFUSA-N 342.537 1.085 0 40 EDAB Cc1oncc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 80398172 ZASQZGTXIXKIDW-UHFFFAOYSA-N 345.403 1.864 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(C2CC2)s1 49622826 LTHACPZSULZMJW-SNVBAGLBSA-N 344.462 1.558 0 40 EDAB C[C@H]1CN(C(=O)N[C@@H](C)CCc2cccn2C)CCS(=O)(=O)C1 192188924 MBTWZLKJJWOUCA-KBPBESRZSA-N 341.477 1.422 0 40 EDAB O=C([C@@H]1OCCc2ccccc21)N1CC[C@@H](Oc2cnccn2)C1 225796102 FOVYLWQEGIUFJU-RHSMWYFYSA-N 325.368 1.770 0 40 EDAB CCC[C@@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)cc1 225957284 WPPRPUUGNLICPP-DOMZBBRYSA-N 342.461 1.980 0 40 EDAB CC(C)c1nc(CS(=O)(=O)c2n[nH]c(Cc3ccccc3)n2)no1 195290044 XTTZCHDONMYRHB-UHFFFAOYSA-N 347.400 1.876 0 40 EDAB O=C(O)[C@H]1CCCN(S(=O)(=O)NCc2ccc(C(F)F)cc2)C1 577175168 IGQWCWWNBBBDBM-LBPRGKRZSA-N 348.371 1.755 0 40 EDAB COCc1ccc(C(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)o1 583618924 IBOHUIARGADTNF-QGZVFWFLSA-N 348.403 1.722 0 40 EDAB COC[C@H]1CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)N1C 96208043 WJQUWERFRNYOOE-OAHLLOKOSA-N 338.473 1.951 0 40 EDAB CC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)C(=O)N1C 96261404 QGQWALJYUPPNLE-UKPHBRMFSA-N 347.440 1.346 0 40 EDAB Cc1ccc(N2CCc3ncnc(N4CCOCC4)c3CC2)nn1 96255713 RKJVKAOOZYWCER-UHFFFAOYSA-N 326.404 1.017 0 40 EDAB Cc1cc(C(=O)N2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)no1 96040951 GOTBCHPEXACNLX-IKGGRYGDSA-N 343.383 1.967 0 40 EDAB Cc1noc(C)c1CN1CCCN(C(=O)NC[C@@H]2CCCO2)CC1 98211907 RGZSZSABBRAJLO-HNNXBMFYSA-N 336.436 1.688 0 40 EDAB Cc1occc1C(=O)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 96239218 HEOIYTXUHHADMU-QGZVFWFLSA-N 326.356 1.647 0 40 EDAB O=C(CN1CC2(C[C@@H](OCc3ccccn3)CCO2)C1)N1CCCC1 247767490 LZNNIBLOLBTEQM-KRWDZBQOSA-N 345.443 1.454 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 247304671 GEFYJERNMZTQFP-CYBMUJFWSA-N 340.470 1.650 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 247884190 WNZIWGJKTCVGIJ-OAHLLOKOSA-N 349.456 1.620 0 40 EDAB Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)nc(O)n1 257257517 KPZIJWZVBHBXLE-CYBMUJFWSA-N 327.388 1.627 0 40 EDAB Cn1nc(N)c2ccc([C@H]3CCCN(C(=O)c4ccno4)C3)nc21 257323898 WMHYSJQCSGRGNU-JTQLQIEISA-N 326.360 1.558 0 40 EDAB CN1CCN(C[C@@]2(O)CCN(C(=O)c3cc4c(s3)CCC4)C2)CC1 257341215 ZJJUDSRVKCZIJF-SFHVURJKSA-N 349.500 1.061 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 585121816 BBKGWYIEWIJPKA-GMTAPVOTSA-N 327.368 1.858 0 40 EDAB C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)N=[S@@](C)(=O)N(C)C 585115652 LWUJJVQPVKKHIK-WVDJIFEKSA-N 337.442 1.638 0 40 EDAB O=C(NCc1ccc(CN2CCCC2=O)cc1)NCC1CSC1 585137633 KVOHDYHUNGFNMX-UHFFFAOYSA-N 333.457 1.971 0 40 EDAB CN(C)Cc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCCC2)nc1 257276858 NVKACATVGBTXKE-INIZCTEOSA-N 338.477 1.621 0 40 EDAB CN(C)c1cccc([C@@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257231865 GILYQSXDKVLHIT-INIZCTEOSA-N 326.400 1.685 0 40 EDAB Cc1cc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)nc(C)n1 257251912 JSVOYLYFIMIGAQ-MRXNPFEDSA-N 329.404 1.670 0 40 EDAB CNc1cc(C)nc([C@@H]2CN(C(=O)COc3cccnc3)CCO2)c1 257220747 DLZHQRYFSQHBFG-KRWDZBQOSA-N 342.399 1.806 0 40 EDAB COCCN1C(=O)CC[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccccc1C 257237067 HFAPVVNFCLRFLJ-AEFFLSMTSA-N 348.443 1.372 0 40 EDAB Cc1ocnc1C(=O)N1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 257301317 RXYFXNWQANVEKE-HUUCEWRRSA-N 341.367 1.235 0 40 EDAB COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c(F)c1 257273013 NEXHBVNYMDEBKO-IAGOWNOFSA-N 345.374 1.204 0 40 EDAB CC(=O)N1CCN(Cc2cn(-c3ccccc3C(=O)O)cn2)CC1 257310477 UFFCOUCBGYALMW-UHFFFAOYSA-N 328.372 1.235 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccsc2)CCN(C2CCOCC2)C1 257203239 APEDYBGETIUNEV-OAHLLOKOSA-N 337.489 1.407 0 40 EDAB Cc1cc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)nc(C)n1 257298079 RKAVBRXPSSVYAA-MRXNPFEDSA-N 339.399 1.975 0 40 EDAB Cc1cn([C@@H]2CCC[C@@H](N(C)Cc3ccccc3)[C@H]2O)c(=O)nc1O 257309921 UCXRKYCDRSXHMB-BRWVUGGUSA-N 343.427 1.844 0 40 EDAB C[C@](O)(CCc1ccccc1)C(=O)N1CCC[C@@H](c2nnc[nH]2)C1 252487665 HZEXPSXNPAJUTI-QAPCUYQASA-N 328.416 1.895 0 40 EDAB Cc1ccnc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257227639 FQFQHWKRECVBHH-CQSZACIVSA-N 325.372 1.666 0 40 EDAB CC(C)N1C[C@@H](Nc2nc(N(C)C)cc(C(F)(F)F)n2)CC1=O 590054808 WGGMBWVOFZZSLX-VIFPVBQESA-N 331.342 1.983 0 40 EDAB CC(C)C[C@](C)(CC(=O)O)C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 634919955 YUKNGHZERVNVRI-IAOVAPTHSA-N 327.421 1.920 0 40 EDAB C[C@@]1(NC(=S)NCc2nc3ccccc3[nH]2)CCS(=O)(=O)C1 575420962 GVQVTLICEOSUIZ-CQSZACIVSA-N 338.458 1.104 0 40 EDAB Cc1ccccc1C[C@H]1CCN(C(=O)CCN2CCOCC2)C[C@@H]1O 585280155 BWINQJPJERYOHY-MOPGFXCFSA-N 346.471 1.469 0 40 EDAB COc1ccc([C@@H]2[C@@H](C(=O)O)CCC(=O)N2Cc2ccnn2C)cc1 585139783 IYGLKVNMLWMXTJ-DOTOQJQBSA-N 343.383 1.993 0 40 EDAB CNc1ncc(CN2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)cn1 585291256 NVCLEBZBCXQMMH-YQVWRLOYSA-N 340.427 1.638 0 40 EDAB O=C(C1CC(F)C1)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 585100924 GLFBMMNEXQLNTN-FVKWTLKZSA-N 332.379 1.570 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2cc(C)nc3ccccc23)CC1 46448492 KFOOAGOERSSCKV-UHFFFAOYSA-N 340.427 1.483 0 40 EDAB CN(C)S(=O)(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)o1 47369302 ITWUVVSHDWKASB-UHFFFAOYSA-N 333.373 1.232 0 40 EDAB CCn1cc(NC(=O)N(C)C[C@@H](O)COCCOC(C)C)cn1 58018216 OANATPYBVOCUGT-CQSZACIVSA-N 328.413 1.169 0 40 EDAB C[C@H](NC(=O)CNC(=O)c1cc(-c2ccccc2)on1)[C@@H]1CCCO1 58343413 WECDQBYWYFTLNS-WFASDCNBSA-N 343.383 1.755 0 40 EDAB O=C1CCCN1C[C@H]1CCCCN1C(=O)c1nnc2ccccc2n1 1548525248 HDWUSDJVKHOPBF-CYBMUJFWSA-N 339.399 1.642 0 40 EDAB O=C(CSc1nc(-c2cccnc2)n[nH]1)NCc1ccccn1 71799798 YDVDTZSCWJNDPS-UHFFFAOYSA-N 326.385 1.670 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)n1 71870162 LKOVJWKZQOXSMF-IAGOWNOFSA-N 344.459 1.749 0 40 EDAB Cc1cc(C)n(CCN2CCC(CNC(=O)c3cnn(C)c3)CC2)n1 71915672 OEZJAPCLUCTLJM-UHFFFAOYSA-N 344.463 1.375 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1 96099702 CTVKHGCUADXIIR-INIZCTEOSA-N 338.473 1.469 0 40 EDAB Cc1[nH]cc(C(=O)NCCc2cscn2)c(=O)c1Br 96500634 ZVRHTGLLRMPJRM-UHFFFAOYSA-N 342.218 1.875 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCN(C(N)=O)C2)cc1Br 76094112 GSFZAWLYTBEKTM-JTQLQIEISA-N 326.194 1.640 0 40 EDAB Cn1cc([C@@H](NC(=O)N2C3CCC2(CO)CC3)C(F)(F)F)cn1 1615040094 KLVDFZXILVTIGQ-QWKFWESOSA-N 332.326 1.722 0 40 EDAB COC(=O)c1nn(C)c(C)c1NC(=O)CCOc1ccccc1OC 1615576939 QGERFBQFFHZPLW-UHFFFAOYSA-N 347.371 1.931 0 40 EDAB COc1cc2c(cc1OC)[C@@H]1C[C@@]3(CCN1CC2)CC(=O)NC3=O 5766729 IEEDLAUTWDHEGT-UGSOOPFHSA-N 330.384 1.430 0 40 EDAB Cc1ccc(Cn2cnc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)cc1 13960256 KCDNGGLMXIMIEC-XGUBFFRZSA-N 338.367 1.302 0 40 EDAB COc1ccc(S(=O)(=O)NCc2cnn(C)c2C)cc1OC 14249368 MXMXAAIKIBSSNW-UHFFFAOYSA-N 325.390 1.224 0 40 EDAB CCN(C(=O)CCn1c(=O)oc2ccccc21)C1CCN(C)CC1 19657493 PXUYBBDUDBKLMA-UHFFFAOYSA-N 331.416 1.927 0 40 EDAB O=C(O)[C@H](c1cccc(Cl)c1Cl)N1CCS(=O)(=O)CC1 519613458 XSVLAJIGTHVQGV-NSHDSACASA-N 338.212 1.850 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NC[C@H](c1ccccc1F)N(C)C 12362324 HGJHUDBFLKNFOH-CQSZACIVSA-N 340.424 1.449 0 40 EDAB CC[C@@H](CO)NCC(=O)Nc1ccc(I)cc1 3338867 GXTINYKNUJLWKT-JTQLQIEISA-N 348.184 1.590 0 40 EDAB CCc1nc(N2C[C@H]3CN(C(=O)C4CC=CC4)C[C@H]3C2)nc(O)c1F 1888849893 HGULYFYASQWPEL-BETUJISGSA-N 346.406 1.745 0 40 EDAB O=C1[C@@H]2CN(c3nccn4nccc34)C[C@@H]2C(=O)N1Cc1ccccc1 1888888326 KPTVRISMRVOLQZ-GASCZTMLSA-N 347.378 1.351 0 40 EDAB CCn1cnc2c(N3CCN(c4nccn5nccc45)CC3)ncnc21 1888914090 AWONHVLKOICUTM-UHFFFAOYSA-N 349.402 1.216 0 40 EDAB O=c1n(Cc2ccccc2Cl)nc2c(-n3ccnc3)nccn12 1888921757 WBQYYAIIYPWRLB-UHFFFAOYSA-N 326.747 1.778 0 40 EDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(Cc2ccccc2)CC1 22286984 SYWUONGNEIBJRQ-UHFFFAOYSA-N 348.406 1.881 0 40 EDAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(=O)[nH]c1 22687229 TYMXIYZIZKWYNE-INIZCTEOSA-N 327.384 1.006 0 40 EDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@H](c2ncon2)C1 238863938 LHXSAQDIGXYTFQ-LBPRGKRZSA-N 339.421 1.642 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@](O)(COc3ccccc3)CC2)n1 2037905631 STDJYDFFDFZAJX-GOSISDBHSA-N 329.400 1.856 0 40 EDAB O=C(CC1(O)CCC1)N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1 1614935840 XSWOMJIIQXHFLD-OAHLLOKOSA-N 330.428 1.537 0 40 EDAB CC[C@H](C)NC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4374573 ROWDKJOTGBKPTM-NWDGAFQWSA-N 335.404 1.907 0 40 EDAB CC(C)NC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479158 GVMCDKVPSOSQBU-UHFFFAOYSA-N 345.790 1.760 0 40 EDAB COC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccccc1 4496388 WPXAEWJFURWDPJ-UHFFFAOYSA-N 339.394 1.947 0 40 EDAB Cc1cc(C)n2c(SCS(=O)(=O)N3CCCCC3)nnc2n1 4770134 DSEAIZGPRYXMBD-UHFFFAOYSA-N 341.462 1.606 0 40 EDAB C[C@H](O)Cn1cc2c(c1-c1ccccc1Cl)c(=O)n(C)c(=O)n2C 15106527 UNEAQFYUNHRYJD-JTQLQIEISA-N 347.802 1.740 0 40 EDAB O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]1O2 2055738889 YDXXBCUDYGAOSA-ARFHVFGLSA-N 331.416 1.232 0 40 EDAB O=C(c1ccc[nH]1)N1CCC(n2c(O)nc3ccsc3c2=O)CC1 1775973260 LEFSGXZMXQZUCL-UHFFFAOYSA-N 344.396 1.969 0 40 EDAB Cn1cnnc1CN1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1 2298188608 YKZCFUSZKQKFRR-GFCCVEGCSA-N 327.379 1.285 0 40 EDAB Cc1cc(N2CCC(C(=O)N3CCSCC3)CC2)n2ncnc2n1 2298192574 WYIPBFHYEDLZNK-UHFFFAOYSA-N 346.460 1.225 0 40 EDAB COc1ccccc1CNC(=O)c1c(O)nc2ccccn2c1=O 9830235 QGPQPDSUGUPVOT-UHFFFAOYSA-N 325.324 1.339 0 40 EDAB C[C@H](C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O)n1cccn1 97231214 MZTUOFJIHHZOOK-MEBBXXQBSA-N 344.346 1.877 0 40 EDAB CN(C)C(=O)CN1CCCN(Cc2nc3ccccc3s2)CC1 29845756 PWTOZBAMYHBSAV-UHFFFAOYSA-N 332.473 1.892 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)CC[C@H]1Cc2ccccc2NC1=O 31398246 XBGRTDJTKHQDRH-ZFWWWQNUSA-N 326.400 1.979 0 40 EDAB CC(=O)c1ccc(NC(=O)CSc2nnc3[nH]c(=O)ccn23)cc1 4249805 ONSPOVBDMHZGIA-UHFFFAOYSA-N 343.368 1.351 0 40 EDAB Cn1c(C(=O)N[C@H](CO)Cc2ccccc2)nc2ccccc2c1=O 32089712 ZADWVHYQPNDURI-AWEZNQCLSA-N 337.379 1.267 0 40 EDAB CNC(=O)Cn1cc(NC(=O)CN2c3ccccc3CC[C@H]2C)cn1 51620341 MMHUHLPQLNTRMM-CYBMUJFWSA-N 341.415 1.409 0 40 EDAB COCCn1c(C)cc(C(=O)COC(=O)c2ccc[nH]c2=O)c1C 8694099 XFAHIKNAGCAJMW-UHFFFAOYSA-N 332.356 1.479 0 40 EDAB C[C@@H](CN(C)C)NC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C 100729031 MGOZMLRWYDSPIC-CQDXQUMASA-N 329.400 1.140 0 40 EDAB Cc1ccc(-c2nc(CNS(=O)(=O)c3cnn(C)c3)co2)cc1 80617632 MAQIBXZYESWJIZ-UHFFFAOYSA-N 332.385 1.862 0 40 EDAB Cc1nc(CN2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)c[nH]1 108524971 SHDDOFLMCKAFLM-ROUUACIJSA-N 327.432 1.588 0 40 EDAB COCCNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 107795937 PDTCLAATXRLJKA-JTQLQIEISA-N 334.825 1.257 0 40 EDAB C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1nnc2ccccn12 52758999 PZJPPHLGCUEIOM-NSHDSACASA-N 344.396 1.624 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)C1 100931187 ZYYQVARWAOQZDL-NXOUGTEYSA-N 337.416 1.910 0 40 EDAB COc1ccc(COn2c(=O)c[n+]([O-])c3ccccc32)cc1OC 545924 AXDCDBVFQCEDFC-UHFFFAOYSA-N 328.324 1.281 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1C[C@H](O)COc1ccc(F)cc1 22241631 AZMPGBBCSCZFEO-WMZOPIPTSA-N 344.386 1.478 0 40 EDAB C[C@@H]1CCCN(c2nnc(SCC(N)=O)n2Cc2ccco2)C1 12160675 XGGGXYKOAXVVEL-LLVKDONJSA-N 335.433 1.733 0 40 EDAB CN1C(=O)C(C(=O)CCCC(=O)c2ccc(F)cc2)C(=O)N(C)C1=O 103502015 QGVYHSNITRNZHG-UHFFFAOYSA-N 348.330 1.414 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C[C@@H](O)c3ccccc3)CC2)no1 22842822 IKCBULKAFKEMLP-MRXNPFEDSA-N 344.415 1.273 0 40 EDAB C1CCC2(C1)OC[C@H](CNCCNC[C@@H]1COC3(CCCC3)O1)O2 22924810 HHAHKYISQVFGKB-IYBDPMFKSA-N 340.464 1.537 0 40 EDAB O=S1(=O)CCN([C@H](CCO)c2cccc(C(F)(F)F)c2)CC1 52525226 UEIOKKDNWBRYNG-CYBMUJFWSA-N 337.363 1.859 0 40 EDAB COC(=O)C(C)(C)NC(=O)c1ccc(OCc2nccn2C)cc1 47537506 MXQWEYSJMKKDNC-UHFFFAOYSA-N 331.372 1.681 0 40 EDAB COCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCC(O)CC1 57613920 OYVGCBCSBQWPSZ-OAHLLOKOSA-N 335.383 1.005 0 40 EDAB O=C(COC(=O)C1(CC(=O)N2CCOCC2)CCCC1)c1ccc[nH]1 25007284 XPGHQMLYJPXHMT-UHFFFAOYSA-N 348.399 1.550 0 40 EDAB Cc1ccc(-c2nnc(CN3CCN(S(C)(=O)=O)CC3)o2)cc1 25930793 AMQVCDLCZKYZRP-UHFFFAOYSA-N 336.417 1.122 0 40 EDAB O=C(NC[C@@H]1CCOC1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 48183535 QXUOZTPPRDXQFA-HOTGVXAUSA-N 348.418 1.760 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 58171659 NTCVDEXQVHYHJF-CYBMUJFWSA-N 345.374 1.870 0 40 EDAB Cc1ccc(NC(=O)CCNC(=O)c2ccc3c(c2)OCO3)nc1 58197311 LLZVEHLORQIDJW-UHFFFAOYSA-N 327.340 1.877 0 40 EDAB OCCn1nccc1C1CCN(C[C@@H](O)c2ccccc2F)CC1 58290048 OBJURKOGTXAKPD-GOSISDBHSA-N 333.407 1.928 0 40 EDAB COc1ccc(COC[C@@H](O)CNC(=O)CCc2ccco2)cc1 58265509 HAYIUHBTADCMKN-HNNXBMFYSA-N 333.384 1.915 0 40 EDAB O=C(NCCNS(=O)(=O)c1cccc(F)c1F)c1cccs1 58267686 CRWONYRORGWKSM-UHFFFAOYSA-N 346.380 1.735 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@H](C)CN2CCOCC2)n1 44955203 TWWABQHJGQDLAM-DZGCQCFKSA-N 337.468 1.156 0 40 EDAB C[C@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)N(C)c1ccccc1 44941525 GOAWRXTWUMOITD-HIFRSBDPSA-N 339.461 1.052 0 40 EDAB CNC(=O)NC(=O)CN1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 58343262 RBRZDVDGOKBLFI-DLBZAZTESA-N 344.459 1.571 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3nc(-c4cccnc4)no3)CCO2)c1 69451736 MWGSTNXEQDTTHI-OAHLLOKOSA-N 340.387 1.538 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC(O)CC2)nc1 58412884 RDLXBHPOINMXBT-LBPRGKRZSA-N 327.450 1.510 0 40 EDAB Cc1c(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cnn1C 48286234 MDSXJEWNICLQLY-MRXNPFEDSA-N 326.400 1.822 0 40 EDAB O=S1(=O)N=C(N2CCN(C[C@H]3CCCCO3)CC2)c2ccccc21 48235237 MCUCUVFDBLQMCF-CQSZACIVSA-N 349.456 1.322 0 40 EDAB C[C@@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1cccc(F)c1 48311136 YWKGUKNATRHWMY-BXUZGUMPSA-N 343.424 1.610 0 40 EDAB O=C(CCCN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc[nH]1 3416765 FXOCTDIHMFUSKY-UHFFFAOYSA-N 340.335 1.817 0 40 EDAB Cc1noc(CCNC(=O)NCc2cccc(Cn3cncn3)c2)n1 69441708 JRMHTLKCSFLIJC-UHFFFAOYSA-N 341.375 1.060 0 40 EDAB Cn1nnnc1-c1cccc(N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 81152114 YTJJMTXAHAXREC-LLVKDONJSA-N 340.309 1.452 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 49315388 QXSQNWHSNINGGT-UHFFFAOYSA-N 337.228 1.711 0 40 EDAB COc1ccc(Br)cc1CNC(=O)[C@H]1CC(=O)N(C)C1 64419230 ZGAUDCKLAVYJCS-JTQLQIEISA-N 341.205 1.552 0 40 EDAB N=C(N)NC1=NC(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)S1 13693721 PHBMNVWLMNVRIM-MRVPVSSYSA-N 343.771 1.289 0 40 EDAB CC(C)CNC(=O)Cn1cnc2ccc(Br)cc2c1=O 6112348 CULGKFUPVIFJMA-UHFFFAOYSA-N 338.205 1.931 0 40 EDAB CC(C)[C@H](C)NC(=O)CNc1ccccc1C(=O)N1CCC[C@@H]1CO 69813316 MWKFQZIXHVSAFI-LSDHHAIUSA-N 347.459 1.856 0 40 EDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1/C=C/c1ccccc1 4309574 QIHLJTBQJBLTBV-MYUDBALCSA-N 346.379 1.618 0 40 EDAB COc1ccccc1N1CCN(C(=O)[C@@H](C(C)C)n2cncn2)CC1 65504983 PCULQXUSVYDVNU-QGZVFWFLSA-N 343.431 1.833 0 40 EDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 65567547 QNMWTSYKIDSVIS-ZWNOBZJWSA-N 344.371 1.162 0 40 EDAB COC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@@H]1c1cccnc1 6417416 HYNSPNGINNOPCM-LLVKDONJSA-N 344.396 1.891 0 40 EDAB COc1ccc(OC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1 21559381 UIVQHJAHPIAOEQ-GFCCVEGCSA-N 334.372 1.300 0 40 EDAB CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccnc(N(C)C)c1 69558890 RMNZMFVDZMQAPA-ZDUSSCGKSA-N 336.461 1.435 0 40 EDAB NC(=O)[C@H](NC(=O)CN1CCc2sccc2C1)c1ccccc1 65621364 HMGOONATQRGQHB-MRXNPFEDSA-N 329.425 1.449 0 40 EDAB CN1CCO[C@H](CNCc2csc(-c3ccc4c(c3)OCO4)n2)C1 65625588 PNSHYOBYNRVHDG-CQSZACIVSA-N 347.440 1.959 0 40 EDAB CCO[C@@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(C)cn2)C1 69561811 KUKYZVFCPHQSCK-CQSZACIVSA-N 334.420 1.929 0 40 EDAB O=C(NCCNc1ncccn1)c1ccc(N2CCOCC2)c(F)c1 69581077 ZXKBSCBAFYFUGX-UHFFFAOYSA-N 345.378 1.294 0 40 EDAB Cc1ccc(CNC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1 14329167 YPGYTFSVAFMIBD-UHFFFAOYSA-N 337.379 1.977 0 40 EDAB O=C(CN1CCC[C@@H]1C(=O)N1CCSCC1)N1CCCCCC1 70019026 DQQZPDFBMQHKJF-OAHLLOKOSA-N 339.505 1.429 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCn2c1nc1ccccc12 6672731 BWOKZKALOXDBDV-NEPJUHHUSA-N 329.404 1.869 0 40 EDAB CCc1nc(C)c(C(=O)N2CCN(Cc3noc(C)n3)CC2)s1 69351557 WCUYJIFRHHSUSS-UHFFFAOYSA-N 335.433 1.663 0 40 EDAB COc1ccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 66485868 YFXRLALYEURYKD-INIZCTEOSA-N 332.400 1.549 0 40 EDAB CCN(C1CCN(C(=O)Cc2ccccc2F)CC1)S(C)(=O)=O 66855579 ONTVOSJFPANTEX-UHFFFAOYSA-N 342.436 1.641 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3nccnc3N)CC2)cs1 67147804 QRGXUYDHVSDMNJ-UHFFFAOYSA-N 332.433 1.036 0 40 EDAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H]1CN(C)CCN1C 69601958 TTZSEPBREVWIJZ-OAHLLOKOSA-N 328.416 1.626 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN[C@@H]1CCc2ncnn2C1 69702767 DATLNWQMLVOWFN-CQSZACIVSA-N 341.415 1.171 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cn1cnc2ccccc2c1=O 69770056 CHOYOCWNXITEEP-IRXDYDNUSA-N 340.427 1.482 0 40 EDAB Cc1cn2nc(NC[C@@H](Cc3ccc(F)cc3)C(N)=O)sc2n1 69738663 LJJTUSVOPILWMV-LLVKDONJSA-N 333.392 1.994 0 40 EDAB CS(=O)(=O)NCCSc1nnc(NCc2ccccc2)s1 69972689 NQTLWKXPYZFRBB-UHFFFAOYSA-N 344.487 1.792 0 40 EDAB C[C@H](NC(=O)CN[C@H]1CCCN(c2cccnn2)C1)c1cccs1 69929973 CSSKLDKAZBPMKN-KBPBESRZSA-N 345.472 1.974 0 40 EDAB COC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(N)=O 8724862 ZVAQLMJHHPCCEB-UHFFFAOYSA-N 342.351 1.898 0 40 EDAB COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@@H](C)NC(N)=O 71885775 HPGOQHFETILKPM-SECBINFHSA-N 331.775 1.511 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)CCCc1ccc2c(c1)CC(=O)N2 71847312 RGUUZIRDROQEFR-UHFFFAOYSA-N 331.416 1.535 0 40 EDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1Cn1nc(C)cc1C 71870254 DLIOPTVKIDGVFI-HUUCEWRRSA-N 336.461 1.412 0 40 EDAB Cn1nnc2ccc(C(=O)OCc3ncn(-c4ccccc4)n3)cc21 96013889 MVLBDZSCYSXCSW-UHFFFAOYSA-N 334.339 1.906 0 40 EDAB NC(=O)CN1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 71829266 HPTZRQCSHACMIC-AEFFLSMTSA-N 345.443 1.174 0 40 EDAB CNC(=O)NC(=O)Cn1cnc2sc3c(c2c1=O)CCCCC3 19796965 OZZQVLZCDBBJPY-UHFFFAOYSA-N 334.401 1.183 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)c2nc3nccc(C)n3n2)C12CCCC2 89986131 BOFFISDDPHWFRB-QWHCGFSZSA-N 329.404 1.900 0 40 EDAB CCCN1CNc2c(c(=O)[nH]c(=O)n2Cc2ccccc2Cl)C1 19939344 QDNATFIYWNEMQI-UHFFFAOYSA-N 334.807 1.833 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@@H]3Cc4cc(F)ccc4O3)CCO2)n1 76045232 WMHRMYHNGBZPDU-UONOGXRCSA-N 332.335 1.156 0 40 EDAB COC(=O)N(C)c1ccc(NC(=O)[C@H](C)N2CCN(C)CC2)cc1 84037537 WGLLFRUFLBLFNQ-ZDUSSCGKSA-N 334.420 1.464 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)C[C@H]3OCCc4ccccc43)CCO2)n1 76045680 ZSFIKMYDHIVTRF-CVEARBPZSA-N 342.399 1.717 0 40 EDAB CCOc1ccc(CC(=O)N2CCN(CCn3cncn3)CC2)cc1 72293049 DSFXLKJUQJZAJS-UHFFFAOYSA-N 343.431 1.064 0 40 EDAB CCOc1ccccc1NC(=O)NC[C@@](C)(O)CN1CCOCC1 72296072 KQASYKGDRRDXAE-QGZVFWFLSA-N 337.420 1.290 0 40 EDAB Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCc1nccs1 72287870 RIYUDIKQEPJPNT-ZDUSSCGKSA-N 328.401 1.538 0 40 EDAB COCCN1CCN(Cc2c(C3CC3)nc3sccn23)CC1=O 97051989 WJNVTIQALUCHKY-UHFFFAOYSA-N 334.445 1.564 0 40 EDAB CCc1nnnn1-c1ccccc1NC(=O)N[C@H](C)c1cnn(C)c1 78973244 JHXFMKUVSWKXPD-LLVKDONJSA-N 340.391 1.841 0 40 EDAB Cc1nnc(CN(C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)n1C 72490350 SBKCHSXSZYMGBY-LLVKDONJSA-N 333.358 1.356 0 40 EDAB Cc1occc1-c1nnc(SCC(=O)N2CCN(C)CC2)n1C 97601717 BYIBFOGPFDHLSY-UHFFFAOYSA-N 335.433 1.250 0 40 EDAB Cc1ccccc1[C@@H](CC(=O)N1CCc2cncnc2C1)NC(N)=O 95396037 RYIBIHXAJDFSNL-OAHLLOKOSA-N 339.399 1.469 0 40 EDAB C[C@@H](C(=O)NC(=O)NCc1ccccc1)N(C)CCCn1ccnc1 95427836 WSUHYEHJOOXKCV-HNNXBMFYSA-N 343.431 1.620 0 40 EDAB C[C@@H](C(=O)N(C)Cc1nccn1C)n1nnc(-c2ccccc2)n1 79994164 JMLWFXSPHSEXQM-LBPRGKRZSA-N 325.376 1.293 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)c3ccccc32)C1 95950678 MMVBAYMVVJIZMN-ZFWWWQNUSA-N 329.400 1.264 0 40 EDAB O=C(c1ccccn1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 95999347 SAFNCAFRDJMLEP-UHFFFAOYSA-N 343.408 1.299 0 40 EDAB COC(=O)CN(Cc1ccc(F)c(F)c1)c1cc(C)nc2ncnn12 95986707 FRGMKWQBIWTEQR-UHFFFAOYSA-N 347.325 1.891 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)cc1C 74812620 LUICEQYZSFGVDH-UHFFFAOYSA-N 338.429 1.307 0 40 EDAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCOC 408998640 NAKBKWQPLGPPKH-OAHLLOKOSA-N 333.388 1.588 0 40 EDAB C[C@@H](CN1CCCC1=O)NC(=O)N1CCC(c2cncn2C)CC1 1548453713 PHGXXWKHGVKKQZ-ZDUSSCGKSA-N 333.436 1.320 0 40 EDAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccoc1 551910794 VISPLOLGYSTJFR-AWEZNQCLSA-N 334.353 1.735 0 40 EDAB COC(=O)c1cc(Br)c(=O)n([C@@H]2CCCCNC2=O)c1 488177 IVIPUBRVLKJMMA-SNVBAGLBSA-N 343.177 1.239 0 40 EDAB biogenic Cc1cccc(Nc2cc(C)nc([C@H]3CCN(S(C)(=O)=O)C3)n2)n1 72382478 SXONQCAYBZBAJX-ZDUSSCGKSA-N 347.444 1.981 0 40 EDAB Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN2C(=O)CC[C@H]2C1 558665433 NUXUZCRZFROKAN-DZGCQCFKSA-N 339.399 1.302 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)C(=O)O 218207753 IJSYYZNIRUEONY-NHCYSSNCSA-N 348.218 1.132 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCCCn2cccn2)[C@@H]1c1cccs1 78061076 IJWRDRFMZKWSOK-SWLSCSKDSA-N 332.429 1.671 0 40 EDAB O=C1CNC(=O)N1CCCC(=O)N1CCCC[C@@H]1Cc1ccccc1 78979489 KAEHAHADFSMBJR-MRXNPFEDSA-N 343.427 1.942 0 40 EDAB CCOC(=O)NCCNC(=O)Cc1ccc(Br)s1 79310183 MUTVKDVAPGMCAJ-UHFFFAOYSA-N 335.223 1.915 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)N2CCC[C@@](C)(c3ccccc3)C2)C1 79098674 IIWJNSCMUCUJCL-UYAOXDASSA-N 344.503 1.996 0 40 EDAB CCc1ncc(S(=O)(=O)N[C@@H]2CNC[C@H]2c2ccccc2)s1 563673591 TYPZVJHBTJWMEK-QWHCGFSZSA-N 337.470 1.739 0 40 EDAB COCC(=O)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 225441143 PRTBGADNIFUWFX-CYBMUJFWSA-N 333.306 1.958 0 40 EDAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CC[C@@H](Sc3nnnn3C)C2)cc1 521395140 OVBOORKMZRXKBF-LLVKDONJSA-N 339.446 1.074 0 40 EDAB CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCO)c1ccccc1 223333645 GYWHSQXJBHINOV-SFHVURJKSA-N 326.396 1.885 0 40 EDAB CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NCC(C)C 225402211 RRRAHECMJUZXCY-JKSUJKDBSA-N 335.423 1.849 0 40 EDAB biogenic,in-vitro Cc1noc([C@H](C)N2CCN(c3ccc4nc(C)nn4n3)CC2)n1 225540261 VFTQSCDOYRNAKG-JTQLQIEISA-N 328.380 1.007 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1 223794069 RDQWHOXJMRXFDE-UHFFFAOYSA-N 346.364 1.621 0 40 EDAB COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Cl 225495530 DEDSTKQKXQCDEX-VIFPVBQESA-N 333.793 1.584 0 40 EDAB CCOc1ccc(NC(=O)C[C@@H]2Cn3nc(C)nc3NC2=O)cc1 40386671 FSKUHMCTOCEYPF-LLVKDONJSA-N 329.360 1.582 0 40 EDAB CC[C@](O)(C(=O)N[C@@H](C)CS(=O)(=O)CC)c1cccc(Cl)c1 225734432 YBVJUZCIOUAYEU-XHDPSFHLSA-N 347.864 1.877 0 40 EDAB COc1cc(CN(C)C(=O)CN2CCCC2=O)cc(OC)c1OC 225885178 GHZKGAMHLYPRFG-UHFFFAOYSA-N 336.388 1.293 0 40 EDAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 225506020 VRAIORNMVAPDEX-OAHLLOKOSA-N 341.415 1.550 0 40 EDAB CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 83010481 QNYBGZLGZAIQCR-XKGZKEIXSA-N 344.455 1.042 0 40 EDAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C)c1 223288827 LATCFVIRTYSLTD-HZPDHXFCSA-N 329.473 1.954 0 40 EDAB CN(c1nccc2c(O)ncnc12)[C@H]1CCCN(c2cccnn2)C1 573020569 PIFDHYVGLXPORX-LBPRGKRZSA-N 337.387 1.626 0 40 EDAB Cc1ccc2c(c1)OCCN2S(=O)(=O)c1cnc(C)c(C(=O)O)c1 573560808 DFLAGTCZPMZYFF-UHFFFAOYSA-N 348.380 1.984 0 40 EDAB Cn1cc(CC(=O)NCCCc2cnc3ncnn3c2)c2ccccc21 225644377 MFWZBYWBRYPIKA-UHFFFAOYSA-N 348.410 1.908 0 40 EDAB c1ccc(CN2CCO[C@@H]3CN(c4ncnc5nc[nH]c45)C[C@H]32)cc1 195539287 AHDJYXMHCJVSMR-HUUCEWRRSA-N 336.399 1.443 0 40 EDAB Cc1noc(C[C@H]2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3O2)n1 96216165 KNIOOCZNIOSRMQ-GZBFAFLISA-N 349.412 1.399 0 40 EDAB Cc1ccoc1C(=O)N1C[C@@H](N2CCN(C)CC2)[C@H]2OCCC[C@H]21 96185823 UYCMVQRJFOTDSW-INMHGKMJSA-N 333.432 1.207 0 40 EDAB CCNS(=O)(=O)CCNC(=O)c1c(Cl)cccc1Cl 95406175 KGTMVZCJBBNIFB-UHFFFAOYSA-N 325.217 1.663 0 40 EDAB O=C(NCCc1ccncc1)[C@H]1CC[C@@H]2[C@@H](CCN2C2CCC2)O1 96187291 YOPFSZNNRXTTLF-KZNAEPCWSA-N 329.444 1.915 0 40 EDAB Cc1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccco3)C2)no1 96038793 GIGNIEBWXUBKRH-SJLPKXTDSA-N 345.399 1.873 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccco2)Cc2ncn(C)c21 96044861 WGBORVQOYPIEEA-CYBMUJFWSA-N 332.404 1.217 0 40 EDAB O=C(Cc1ccc(-n2cnnc2)cc1)NC1(C(=O)O)CCCCC1 577947155 QIDCZIKCMFAULT-UHFFFAOYSA-N 328.372 1.714 0 40 EDAB O=C(c1ncccn1)N1CC[C@]2(C[C@@H](OCC3CCOCC3)CO2)C1 96107745 RNQGKBHEBOZAMJ-QAPCUYQASA-N 347.415 1.293 0 40 EDAB COCCOc1ccc(NS(=O)(=O)c2cncc(F)c2)cn1 96404507 LUOVMKSATWVACX-UHFFFAOYSA-N 327.337 1.442 0 40 EDAB c1cn(C[C@H]2CO[C@]3(COCCN(Cc4nccs4)C3)C2)cn1 96052063 CVGKIGPOMYYMGB-GOEBONIOSA-N 334.445 1.647 0 40 EDAB Cn1cc(N2CC[C@]3(CCN(C(=O)c4ccc(F)cc4)C3)C2=O)cn1 96159558 MIMQVOYRLKCNRI-SFHVURJKSA-N 342.374 1.828 0 40 EDAB Cc1cccc(CN2CCC3(CC2)COCCN3S(C)(=O)=O)n1 96226213 HAAUMWPGEPVUBZ-UHFFFAOYSA-N 339.461 1.016 0 40 EDAB O=C([C@H]1CCOC1)N1CCCn2nnc(COc3ccccn3)c2C1 96084392 FFBCYGRKAGNAHX-ZDUSSCGKSA-N 343.387 1.021 0 40 EDAB CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(C1)CN(CCc1ccccc1)C2 514289533 NKMKSNSKXMBMJB-WOJBJXKFSA-N 343.515 1.690 0 40 EDAB biogenic,in-vitro Cn1cnc2c1[C@@H](COCC1CC1)CN(S(=O)(=O)C1CC1)C2 96060257 WOJFOEAYGDLECS-GFCCVEGCSA-N 325.434 1.238 0 40 EDAB CN(C)C(=O)CN1CCC[C@@]2(CCN(C(=O)c3cccnc3)C2)C1 96215337 MDRZXRRKTGZFIZ-GOSISDBHSA-N 330.432 1.098 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1cc(-c2ccccn2)n[nH]1 96118244 UQXBYYBKMHZSCU-UHFFFAOYSA-N 333.355 1.487 0 40 EDAB C[C@H](Cc1ccncc1)NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O 332800755 WRNQCXDBECSVRD-KLICCBINSA-N 347.459 1.974 0 40 EDAB CN(C)Cc1nn(C)c2c1CN(C(=O)c1ccc3c(c1)OCO3)C2 96084451 QPAOMZAORFBIKV-UHFFFAOYSA-N 328.372 1.366 0 40 EDAB CCc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)cc1 96410791 NCBUIRIEFUEMES-HNNXBMFYSA-N 341.415 1.316 0 40 EDAB Cn1cc(CN2CC[C@]3(CCCN(C(=O)c4cccnc4)C3)C2)cn1 96047039 ZUKZZQQZARPHGG-LJQANCHMSA-N 339.443 1.943 0 40 EDAB CC(C)c1nnc(CNC(=O)N2CCC[C@@H](n3ccnn3)C2)s1 581425770 FBTYRPOBUGSPDL-LLVKDONJSA-N 335.437 1.800 0 40 EDAB COC(=O)CCNC(=O)Cc1c(C)n[nH]c1-c1ccc(OC)cc1 95475768 PXDWTCJXJLZASB-UHFFFAOYSA-N 331.372 1.616 0 40 EDAB O=C(c1ccncc1)N1CC2(C1)OCC[C@H]2COCc1ccncc1 247846171 HBMWDESSPZRBOG-KRWDZBQOSA-N 339.395 1.925 0 40 EDAB O=C(c1ncccn1)N1C[C@@H]2OC[C@H](CCOc3ccccn3)[C@@H]2C1 247889994 YIANHYPEIHKCJK-KKUMJFAQSA-N 340.383 1.428 0 40 EDAB CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2COC(=O)C2)c1 585087072 KUZVJJSDJGKWDZ-LLVKDONJSA-N 340.401 1.267 0 40 EDAB CCCCS(=O)(=O)N1CC[C@@H](CNc2nc(C)cnc2C)C1 585080346 TWTVPUWXEGZGKK-AWEZNQCLSA-N 326.466 1.957 0 40 EDAB COc1ccc(CNC(=O)/C=C/C(=O)NC[C@@](C)(O)C2CC2)cc1 585122221 RPEFZYUGPYZTDO-QZEKMECESA-N 332.400 1.145 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)Cc3ccsc3)CC2)OC[C@]1(C)O 257282017 ORYFLQVGZSTHNO-HOCLYGCPSA-N 338.473 1.411 0 40 EDAB C[C@H]1CN(C(=O)NCCS(=O)(=O)CCc2ccccc2)CCO1 252498584 RFOMLIXDVHCYLB-AWEZNQCLSA-N 340.445 1.074 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)Cc2csc(C)n2)n1 257227391 FPBHJYJTUMXZDX-ZDUSSCGKSA-N 334.401 1.398 0 40 EDAB Cn1cncc1CN1CCC2(CC1)CO[C@H](Cc1cncnc1)C2 257208012 BKHLXZXVOWOCPB-QGZVFWFLSA-N 327.432 1.824 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@H](Cc3cn4ccnc4cn3)C2)no1 257253058 JXKSRBQZGWYWQI-CYBMUJFWSA-N 341.371 1.357 0 40 EDAB Cc1nccc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257331086 XRHKQKZLFURPAH-MRXNPFEDSA-N 327.340 1.727 0 40 EDAB O=C1CCCCCN1CC(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257331374 XSPGYSJMIMTIBQ-HZPDHXFCSA-N 332.400 1.040 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)NCCCO)[C@@H]1c1ccccc1OC 257329190 XIWFEECMXNGEBS-PBHICJAKSA-N 334.416 1.493 0 40 EDAB O=C(c1ccc2[nH]nnc2c1)N1CCO[C@H](CCc2ccncn2)C1 257308361 TWLNCQDFWLGFRQ-CQSZACIVSA-N 338.371 1.222 0 40 EDAB Cc1cc(C)nc(NCCC(=O)N2CCC[C@](O)(CN(C)C)CC2)n1 257275954 NRRZCTBEQAURDG-GOSISDBHSA-N 349.479 1.201 0 40 EDAB CC(=O)c1ccc(OCC(=O)Nc2cc(-n3cccn3)ncn2)cc1 90614130 STFUAEOOOIYCHA-UHFFFAOYSA-N 337.339 1.882 0 40 EDAB CN(C)c1ncc(NS(=O)(=O)c2ccccc2F)c(N(C)C)n1 96098784 CMLRACWINFADOP-UHFFFAOYSA-N 339.396 1.549 0 40 EDAB CO[C@H]1CCN(c2ccc(NS(=O)(=O)c3cn(C)cn3)cc2)C1 96122381 MFEDOWJDIOHRRF-AWEZNQCLSA-N 336.417 1.446 0 40 EDAB Cc1nn(C)c(C)c1CN1CCN(S(C)(=O)=O)c2ccccc2C1 390835539 PZXCQVZNPCGILL-UHFFFAOYSA-N 348.472 1.819 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2cccs2)C1 575406197 VXXKJMJLGYNQGD-CQSZACIVSA-N 332.429 1.944 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@@H](CNC(=O)c3ccno3)CO2)C1 575404535 NVNJZLDEAAGMPI-FRRDWIJNSA-N 333.388 1.068 0 40 EDAB Cc1noc(COC2CN(C(=O)NCC(F)(F)C(C)(C)C)C2)n1 667258332 JMNDMPSOESZTMD-UHFFFAOYSA-N 332.351 1.970 0 40 EDAB C/C=C/C(=O)O[C@@H]1C=C[C@H](O)[C@@H](OC(C)=O)CCC(=O)O[C@@H]1C 585660616 GXBAKQFLYWSOJH-BEQGSBDBSA-N 326.345 1.049 0 40 EDAB biogenic,in-vitro CNc1cnc(C(=O)N2CC[C@](O)(COc3ccc(F)cc3)C2)nc1 585276085 JJTOKDGDQMFIHB-QGZVFWFLSA-N 346.362 1.313 0 40 EDAB Cn1cc(C(=O)N2CCO[C@@](CO)(Cc3ccc(Cl)cc3)C2)cn1 585268913 DJXKNLZXUVTUCB-KRWDZBQOSA-N 349.818 1.520 0 40 EDAB O=C(CCc1ccno1)N1CCOC[C@](O)(COc2ccccc2)C1 585276303 GBEIFKKSHFRCKP-SFHVURJKSA-N 346.383 1.276 0 40 EDAB O=C(C1CC(F)C1)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 585104684 KXJXTOQMXJRTQO-OGMSWHEOSA-N 347.390 1.173 0 40 EDAB CCN(CCSC)C(=O)CCn1nc(O)c2ccccc2c1=O 592741688 PAOHPLXUFWVGJS-UHFFFAOYSA-N 335.429 1.704 0 40 EDAB O=C(CN1CCCC1=O)N1CCN(Cc2ccc(Cl)s2)CC1 44870715 TZWBRUQMOAFQPP-UHFFFAOYSA-N 341.864 1.668 0 40 EDAB C[C@H](NC(=O)N1CCN(CCc2ccccc2)CC1)c1nncn1C 46963855 NUZOCCGNRYPXPS-HNNXBMFYSA-N 342.447 1.446 0 40 EDAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN(CC(N)=O)C2)n1 72378835 FGSMOCUJIXUXNL-CYBMUJFWSA-N 328.420 1.450 0 40 EDAB Cc1cc([C@H](O)CCNS(=O)(=O)c2c(C)noc2C)c(C)o1 85561757 ILMZXZLEDOXFDF-CYBMUJFWSA-N 328.390 1.903 0 40 EDAB CCOc1ccc(OCCNC(=O)CN2CCn3ccnc3C2)cc1 97201480 BFFYZDUBIYJURZ-UHFFFAOYSA-N 344.415 1.293 0 40 EDAB O=C(O)Cn1cccc(C(=O)N2CC[C@H](c3ccccc3F)C2)c1=O 1595155288 VTWDZLCAILTOAP-LBPRGKRZSA-N 344.342 1.702 0 40 EDAB Cn1nc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)ccc1=O 655265284 NQYQXDQPXBXCQZ-UHFFFAOYSA-N 349.394 1.743 0 40 EDAB Cc1onc(CO)c1C(=O)Nc1cnn(CCN2CCCCC2)c1 1615054524 BJFBQDXHAJRUMX-UHFFFAOYSA-N 333.392 1.410 0 40 EDAB O=S(=O)(NCc1ccccc1Cn1cccn1)[C@H]1CCC[C@H]1O 1615205902 LLLACISJAVORBW-CVEARBPZSA-N 335.429 1.264 0 40 EDAB CN1C(=O)C[C@H](NC(=O)[C@H]2CSCCS2)[C@H]1c1cccnc1 1615586664 QHCOXGMDWNHPQE-OUCADQQQSA-N 337.470 1.318 0 40 EDAB Cn1ncc(CCC(=O)NCCC2CCN(c3ccncc3)CC2)n1 1615621974 SLQPLBDAENNLEF-UHFFFAOYSA-N 342.447 1.566 0 40 EDAB C[C@@H](CO)N[C@H](C)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1616039012 VGKYGMAPPILFLF-WDEREUQCSA-N 325.413 1.101 0 40 EDAB COCC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 12407849 QGFYBWQEDONOTR-WDEREUQCSA-N 329.351 1.154 0 40 EDAB Cc1nn(C)cc1C(=O)O[C@H]1C[C@@H](c2ccc(F)cc2)N(C)C1=O 12740519 HOBQQFYWBZLANA-GJZGRUSLSA-N 331.347 1.996 0 40 EDAB O=C(C[C@H]1SC[C@H](C(=O)O)NC1=O)Nc1cccc2ccccc12 13636957 CJRILOKSZVDZHH-ZIAGYGMSSA-N 344.392 1.853 0 40 EDAB CC[C@@H](C(=O)NCCOC)N(c1cccc(Cl)c1)S(C)(=O)=O 13711907 ZBIFQBBHNCARSC-ZDUSSCGKSA-N 348.852 1.647 0 40 EDAB CNC(=O)c1cc([C@@H]2CN(c3ncccn3)CCO2)nc2ccccc12 19759558 BGFACVFMDCHGLL-KRWDZBQOSA-N 349.394 1.962 0 40 EDAB O=C(Cn1cn[nH]c1=O)NCC1(Sc2ccccc2)CCCC1 153190019 XDHCVKHFXRUPTO-UHFFFAOYSA-N 332.429 1.793 0 40 EDAB COc1nccnc1O[C@H]1CCCN(C(=O)c2snnc2C)C1 225493270 PDOLCYVOXQSDCB-JTQLQIEISA-N 335.389 1.329 0 40 EDAB COc1ccc(F)c(CN2C[C@H](c3cnn(C)c3C)[C@@H](C(N)=O)C2)c1 527587464 LTJYSIABJFLGGR-CVEARBPZSA-N 346.406 1.577 0 40 EDAB O=C(CN1CCO[C@@H](C(=O)N2CCCCC2)C1)Nc1ccccc1F 1888926774 YWUDTBXIQQZKIS-MRXNPFEDSA-N 349.406 1.478 0 40 EDAB Cc1nc(N2CCCC2)cc(N2CCN(CC3(O)CCCC3)CC2)n1 2087124848 WCRMUPWMNXPQDP-UHFFFAOYSA-N 345.491 1.812 0 40 EDAB CN(C)Cc1cncc2c1CCN(C(=O)c1cccc(=O)n1C)C2 1565552443 UKWUWHZNXSWFJI-UHFFFAOYSA-N 326.400 1.040 0 40 EDAB COCCNC(=O)CSc1ncnc2c1cnn2-c1ccccc1 3550302 LZLOXYQZQOMPRR-UHFFFAOYSA-N 343.412 1.670 0 40 EDAB Cc1ccc(N2C[C@H](NC(=O)N3CCN(C)CC3)CC2=O)cc1C 5187463 HFVVZVMVBWUHII-OAHLLOKOSA-N 330.432 1.366 0 40 EDAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NC3CCCC3)cc21 5252379 APWKMAAOLKDNEA-UHFFFAOYSA-N 329.400 1.983 0 40 EDAB COc1cc(NS(=O)(=O)c2cn(C)nc2C)cc(OC)c1OC 11923785 VMVJBCWLQREBBS-UHFFFAOYSA-N 341.389 1.555 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2cc(C)cc(C)c2)C1 2055772456 KOLRGTYERYGRNP-LJQANCHMSA-N 340.427 1.877 0 40 EDAB CC(C)N(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3cc[nH]n3)C2)O1 2055746224 BYWYQSGFQZDRKP-RHSMWYFYSA-N 336.436 1.140 0 40 EDAB O=C([C@@H]1CN(c2ccc(C(F)(F)F)nc2)CCO1)N1CCOCC1 2086856857 SWHWQXZQSIWQMW-LBPRGKRZSA-N 345.321 1.164 0 40 EDAB NC(=O)C1CCN(C(=O)c2coc(NC(=O)c3ccsc3)n2)CC1 206623645 JXBKTYLWURSNHP-UHFFFAOYSA-N 348.384 1.326 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCS[C@@H](c2ccco2)CC1 219458200 HLCHEBJRLYMOSQ-CYBMUJFWSA-N 332.447 1.337 0 40 EDAB O=C(COCc1ccccc1)NCCn1ccnc1-c1cnccn1 585147602 AVPLCDVKYLQXLH-UHFFFAOYSA-N 337.383 1.673 0 40 EDAB O=C(NCc1cccs1)N1CCN(C[C@@H](O)c2ccco2)CC1 85466842 JHPVRADZQJPKPG-CQSZACIVSA-N 335.429 1.902 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccncc2Cl)cc1 40017166 PKHROERXLHNCOZ-UHFFFAOYSA-N 325.777 1.895 0 40 EDAB Cc1cc(NC(=O)NC[C@]2(N3CCOCC3)CCSC2)no1 31095292 DWDUGSWKVXOOCU-CQSZACIVSA-N 326.422 1.312 0 40 EDAB Cc1c(C)c2ccc(OC[C@H](O)CN3CCOCC3)cc2oc1=O 36576599 USIJIADNEVGWML-CQSZACIVSA-N 333.384 1.482 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1cc(Br)c[nH]1 40421354 DFIPQPNUHZQMSS-UHFFFAOYSA-N 334.177 1.792 0 40 EDAB Cc1ccc(NCC(=O)N2CCN(S(C)(=O)=O)CC2)c(Cl)c1 11154137 HMRGITITAJWGHL-UHFFFAOYSA-N 345.852 1.164 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nn3cnnc3S)C2)cc1 28875196 YGGVLUKDCGWRAK-CYBMUJFWSA-N 345.428 1.498 0 40 EDAB Cc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)c1 100702693 DPRBXROAIJFUAI-PMPSAXMXSA-N 329.396 1.994 0 40 EDAB CC(C)[C@H](NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O)C(=O)O 1848355 JBLZLVXVKCRJPR-UONOGXRCSA-N 346.383 1.533 0 40 EDAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(C)CC1 20477005 SRROTFMVIKQXQD-UHFFFAOYSA-N 344.415 1.449 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 40540230 RMMZBLPRUYGIBX-UHFFFAOYSA-N 344.415 1.148 0 40 EDAB C[C@@H](NC(=O)c1ccsc1)c1ccc(-n2cc(C(N)=O)nn2)cc1 45790238 FAGMIOFGVSVXRU-SNVBAGLBSA-N 341.396 1.919 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cnccn3)CC2)cc1 11543044 GCZDJANXQGPADG-HNNXBMFYSA-N 326.400 1.901 0 40 EDAB C[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N1CCOCC1 45812387 FIVNUWFUAJRZLF-KBPBESRZSA-N 345.443 1.933 0 40 EDAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOC 10129063 FDXMSLTXXOWNKV-MRXNPFEDSA-N 347.415 1.978 0 40 EDAB CC(C)(C)CC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccccc3C(=O)N2C1 8299363 PATQPYJSNSGDEG-FZMZJTMJSA-N 329.400 1.774 0 40 EDAB biogenic,in-vitro Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCCC2(C1)OCCO2 89505559 GVZWZODRPUNMNV-UHFFFAOYSA-N 343.449 1.608 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)C1 41126089 OBASURPXDPCYFE-CYBMUJFWSA-N 344.411 1.603 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 102436660 DOFNSMYBSBXXBH-KBPBESRZSA-N 342.351 1.363 0 40 EDAB O=C1[C@H]2[C@H](C(=O)N1c1ccn(Cc3cccc(F)c3)n1)[C@H]1CC[C@H]2O1 102604676 LDBBFCAQELALIQ-RRCSTGOVSA-N 341.342 1.737 0 40 EDAB O=C(NCCn1ccnc1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 52977162 ALBAHWMEMJRNIC-LLVKDONJSA-N 334.326 1.331 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nc(C)no2)cc1 33213243 YDJGYGQPUVZNNH-AWEZNQCLSA-N 328.372 1.786 0 40 EDAB NC(=O)COc1c(Br)cc(C=O)cc1Br 2774983 MMAYPCFBIBABLB-UHFFFAOYSA-N 336.967 1.888 0 40 EDAB COCCCNC(=O)CN(C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 53141835 GXRGPPLZEQDUBS-MRXNPFEDSA-N 349.475 1.565 0 40 EDAB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3ccncc3)ccc21 57280269 ANMXPYZHWBGBIN-UHFFFAOYSA-N 345.424 1.814 0 40 EDAB Cc1cc(CN2CCN(C(=O)CCc3ccccc3O)CC2)on1 53354687 PHWITZUSNISVGC-UHFFFAOYSA-N 329.400 1.966 0 40 EDAB CN(C)C[C@H](CNc1ncnc2c1cnn2C)[C@@H](O)c1ccccc1 42099612 JDYDZIQURNPSND-HOCLYGCPSA-N 340.431 1.687 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(C[C@@H](N(C)Cc3ccccn3)CO2)C1 107226844 RBWUJCUZGCXSSQ-CVEARBPZSA-N 339.461 1.097 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=O)NCCc2ccccn2)cc1 47635324 LOJCPZFSNQAKHI-UHFFFAOYSA-N 333.413 1.527 0 40 EDAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)NCC(F)(F)F 12516310 GVRNMKXJFVAXFH-JGVFFNPUSA-N 331.294 1.885 0 40 EDAB CC(C)c1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc1 102401276 OQRNXFOZDUCVTH-ZQDZILKHSA-N 328.368 1.617 0 40 EDAB CCO[C@@H]1CCCN(C(=O)c2sc(S(N)(=O)=O)cc2C)C1 69451261 KKWGCLOTJGMUFX-SNVBAGLBSA-N 332.447 1.345 0 40 EDAB CNC(=O)c1cc(OC)ccc1NS(=O)(=O)c1c(C)noc1C 69419885 ISGBGHLBKDKPQK-UHFFFAOYSA-N 339.373 1.460 0 40 EDAB CN(C)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)cn1 47788276 YVXIBFXOGLOKIT-UHFFFAOYSA-N 328.324 1.916 0 40 EDAB CN(Cc1ccco1)C(=O)COC(=O)c1ccc2c(c1)OCC(=O)N2 24971547 HVDOSHIJSLQCNU-UHFFFAOYSA-N 344.323 1.426 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1coc(-c2ccc(C)cc2)n1 25055805 NLSRATDQWRZDLC-OAHLLOKOSA-N 343.383 1.514 0 40 EDAB O=C(CN1CCN(C(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)CC1)N1CCCCCC1 102852178 DUDQCZWUYVUDOT-KURKYZTESA-N 347.503 1.969 0 40 EDAB Cc1ccc(C)c([C@@H]2CN(CCCS(N)(=O)=O)[C@@H](C)CO2)c1 107064426 RPZOSPHGNMRGDR-HOCLYGCPSA-N 326.462 1.744 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 56073316 QUNQNDYVBXZTMS-CYBMUJFWSA-N 326.418 1.894 0 40 EDAB O=C(O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1CC1CC1 110069756 SVSPJJVLMHJJKY-UHFFFAOYSA-N 328.372 1.890 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCNC(=O)C(C)C)CC2=O)cc1F 26363277 YEFXSLIRWIYKTN-CYBMUJFWSA-N 349.406 1.375 0 40 EDAB O=C(NCc1nnc(S)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 108897579 BCKRWWURECIMIL-UHFFFAOYSA-N 342.424 1.890 0 40 EDAB COC(=O)[C@H]1CN(CC(=O)N2CCC(C)CC2)c2ccccc2O1 68759366 QXJRMWTYXWNRLC-MRXNPFEDSA-N 332.400 1.686 0 40 EDAB Cc1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)n(C)n1 44736786 QZDAKIUWHWUNDC-HNNXBMFYSA-N 332.379 1.880 0 40 EDAB CCC(=O)N1CCc2cc(C(=O)N[C@@H]3CCc4nccn4C3)ccc21 58158254 VURMVUKLDCWRQR-OAHLLOKOSA-N 338.411 1.927 0 40 EDAB CC(C)(C)OC(=O)N1CCC(c2ccnc(S(C)(=O)=O)n2)CC1 44831701 ZBOJZLFGPBPSSV-UHFFFAOYSA-N 341.433 1.995 0 40 EDAB C[C@H](O)CNC(=O)C1CCN([C@@H](C)c2nc(-c3ccco3)no2)CC1 44951046 GLXUXLXZGLKJKU-RYUDHWBXSA-N 348.403 1.600 0 40 EDAB CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(OC)c(OC)cc1F 44910644 SRPTUXYSTLOMDT-LLVKDONJSA-N 346.424 1.606 0 40 EDAB CC(=O)Nc1nc(C(=O)NCc2ccc(-n3cccn3)nc2)cs1 44918448 OZEQFRQTBHFWQF-UHFFFAOYSA-N 342.384 1.612 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCCCC3)nc2)C1 44953124 HUBNSFVRABEPBU-HNNXBMFYSA-N 345.447 1.479 0 40 EDAB CC(=O)NCC1CCN(C[C@@H](O)CN(C)Cc2ccccc2)CC1 58364933 QJFHTYZTONVQQP-IBGZPJMESA-N 333.476 1.327 0 40 EDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCC(=O)NC1CCCCC1)CS2 58380355 MXUIWRVADWHXAB-MLGOLLRUSA-N 339.461 1.006 0 40 EDAB COc1cc(F)c(S(=O)(=O)NCCc2cccnc2)cc1OC 27973138 PHKMHROASNXYLK-UHFFFAOYSA-N 340.376 1.759 0 40 EDAB CC(C)CN(C)C(=O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 58430472 JZSADIMHTZSIEJ-INIZCTEOSA-N 338.473 1.573 0 40 EDAB CC(=O)NCCNC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 48262302 LUGLSDGYTWQYLE-CYBMUJFWSA-N 329.404 1.588 0 40 EDAB O=C(Cn1nnn(-c2ccccc2)c1=O)NCc1ccccc1Cl 12993010 GGWQRUXKUBAQGL-UHFFFAOYSA-N 343.774 1.399 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CNc1cnn(C)c(=O)c1Cl 63248647 JCOAKMCSBUOMBV-GFCCVEGCSA-N 337.807 1.902 0 40 EDAB COc1ccc2nc(Nc3nc(CC(=O)O)c(O)[nH]3)nc(C)c2c1 408986874 PSVVRSJBZCYXGC-UHFFFAOYSA-N 329.316 1.746 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)OC 70037633 DSTKQBLTNFNSLD-RNCFNFMXSA-N 332.356 1.230 0 40 EDAB O=C1Oc2ccccc2[C@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)O)[C@H]12 4294086 OKWDWXQSIUNHER-NQMVMOMDSA-N 335.362 1.662 0 40 EDAB biogenic CCN(CC)CCC[C@H](C)NC(=O)c1cccc(-n2cnnn2)c1 69369844 ZRPCSRQSQGSJQQ-AWEZNQCLSA-N 330.436 1.903 0 40 EDAB CCOc1ccc(NC(=O)[C@@H]2CCOC2)cc1S(=O)(=O)N(C)C 69330827 BZBXCHDWLGRXSF-LLVKDONJSA-N 342.417 1.311 0 40 EDAB C[C@H](C(=O)N1CCCCCC1)N1CCN(Cc2nccn2C)CC1 69348466 WEQSGWPPCKSDIS-MRXNPFEDSA-N 333.480 1.329 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2cn(-c3ccccc3)nn2)CC1 69371391 REUSPSFEWKRQHA-OAHLLOKOSA-N 329.448 1.450 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2nc3ccccc3s2)C1=O 14111794 YWCCBIWLTWZZKM-HNNXBMFYSA-N 332.385 1.955 0 40 EDAB COc1ccc(CCNC(=O)COC(=O)c2cccn2C)cc1OC 4564437 BVKBPITUBMYOHN-UHFFFAOYSA-N 346.383 1.558 0 40 EDAB C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 69571481 GDFOLCCVDMAUGO-BHYGNILZSA-N 344.459 1.699 0 40 EDAB CCC[C@H](C)NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O 5573903 QMEDAKWRJYQXAT-NSHDSACASA-N 342.417 1.520 0 40 EDAB COC(=O)c1cccn1C1CCN(C(=O)c2ccc(C)[nH]c2=O)CC1 69567022 JMDKUZMMDUXNME-UHFFFAOYSA-N 343.383 1.749 0 40 EDAB C[C@H]1CN(CC(=O)N(C)Cc2ccco2)CCN1Cc1nccn1C 69571174 ULGCYSQCMYOBKJ-HNNXBMFYSA-N 345.447 1.178 0 40 EDAB COc1cccc(C(=O)NCCc2csc3ncnn23)c1OC 6756639 GMENDXRVSMHALV-UHFFFAOYSA-N 332.385 1.781 0 40 EDAB O=C(CN1CSCC1=O)Nc1cnc(-c2cccc(O)c2)nc1 69656982 JRVDBZGYUKKZKD-UHFFFAOYSA-N 330.369 1.321 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCC[S@@](=O)Cc2ccccc2)C1 69658007 AJCXXXXICVOJPJ-QKKBWIMNSA-N 344.502 1.502 0 40 EDAB O=C(NCc1cccc2c1OCCO2)c1nc2ccccc2c(=O)[nH]1 67118974 CIECJDVRFGRZAI-UHFFFAOYSA-N 337.335 1.624 0 40 EDAB CNC(=O)c1ccc(NC(=O)NCc2cn3c(n2)CCCC3)cc1 69706553 LOVJMVLJRMHQOH-UHFFFAOYSA-N 327.388 1.901 0 40 EDAB CCCOc1cccc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)c1 91931069 FFWRIAGVDDWMPV-UHFFFAOYSA-N 345.443 1.398 0 40 EDAB COc1ccc(C(C)=O)cc1CN1CCN(C(=O)[C@@H]2CCCO2)CC1 15302758 HDFNGCDQRDIRMY-SFHVURJKSA-N 346.427 1.721 0 40 EDAB CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 7137200 HJYGDYYINSGDGK-AWEZNQCLSA-N 339.347 1.925 0 40 EDAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(C(N)=O)cc1 7235419 IUIWBRBHPGTSFU-SECBINFHSA-N 345.428 1.911 0 40 EDAB O=[S@@](Cc1ccn(-c2ccccc2)n1)Cc1nnnn1C1CC1 69893951 VOFUOVMHSYZIBK-HSZRJFAPSA-N 328.401 1.643 0 40 EDAB CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1F)C1CC1 71186066 KTDDIKZLUCZKFR-LBPRGKRZSA-N 344.433 1.510 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)c2cc[nH]n2)cc1 71886518 MGGQJESGLCDXPO-UHFFFAOYSA-N 335.429 1.911 0 40 EDAB Cc1ccc([C@@H]2C[C@@H]2C(=O)NC2CCN(CC(N)=O)CC2)cc1C 71837339 XIHDAFUDCWOCHQ-IRXDYDNUSA-N 329.444 1.473 0 40 EDAB Cn1c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc(=O)n(C)c1=O 71811039 XBIIMUWWXRWJIK-HNNXBMFYSA-N 349.818 1.311 0 40 EDAB CNC(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12 83881817 JGJVSOYRMLVWMJ-UHFFFAOYSA-N 339.351 1.777 0 40 EDAB COc1ccc(CNc2ccc(S(=O)(=O)NCC3CC3)cn2)cn1 71913859 QNSMDBDOUZXIJF-UHFFFAOYSA-N 348.428 1.786 0 40 EDAB Cc1ncsc1CCN1CCN(C(=O)Cc2c(C)noc2C)CC1 71915657 YASCYVAIOXXUSW-UHFFFAOYSA-N 348.472 1.986 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)Cc3csc(C(C)C)n3)CCO2)n1 76045558 GTBBLQHBOURDEE-LBPRGKRZSA-N 335.433 1.836 0 40 EDAB Cc1cc(=O)oc2cc(OCCn3cnnc3[S@](C)=O)ccc12 72293311 KQYDLEMJKYZPMC-HSZRJFAPSA-N 333.369 1.509 0 40 EDAB COCCOc1cccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 72269533 XEYGCZKBVLNERA-ROUUACIJSA-N 348.443 1.383 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)ccc1=O 72282707 FDCZLAFPCUZEDX-CYBMUJFWSA-N 329.404 1.786 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(N3CCCC3)nn1)C2 72232614 ZRTOXALTTFAOAO-ZDUSSCGKSA-N 326.404 1.327 0 40 EDAB COCCN1[C@@H](C)CN(C(=O)c2c[nH]nc2-c2cccnc2)C[C@H]1C 97020978 CTEWGOSSDRMXEK-OKILXGFUSA-N 343.431 1.653 0 40 EDAB Cc1cc2c(N3CCN(C(=O)CN4CCOCC4)CC3)nccc2o1 97144381 MZEAMHISXZNEGQ-UHFFFAOYSA-N 344.415 1.117 0 40 EDAB COc1ccc([C@@H](O)CN2CCc3ncnc(N(C)C)c3C2)cc1F 97201958 LLKPYHHZVJKYMN-INIZCTEOSA-N 346.406 1.782 0 40 EDAB CCOc1ncnc2c1CN(C[C@H](O)COc1ccccc1)CC2 97202268 FDIDMZZNSNKPNB-AWEZNQCLSA-N 329.400 1.673 0 40 EDAB O=C1CN(C(=O)NCc2ccc3c(c2)OCO3)[C@H]2CCCC[C@@H]2N1 84459161 BKOQRYQGHURXNB-STQMWFEESA-N 331.372 1.368 0 40 EDAB Cn1cc(CN2CCCN(C(=O)c3cnn(C)c3C3CC3)CC2)cn1 78766605 KMZNWGKBRGDQKQ-UHFFFAOYSA-N 342.447 1.379 0 40 EDAB CC(C)C(=O)N1CC[C@@H](NCc2ccc(OCC(N)=O)cc2)[C@@H](C)C1 78897777 KYGBCSIBCFMRPM-WMLDXEAASA-N 347.459 1.533 0 40 EDAB O=C(NC1CCN(CC(=O)N2CCCC2)CC1)NC(C1CC1)C1CC1 95393440 NZJSAFCCXONZOF-UHFFFAOYSA-N 348.491 1.561 0 40 EDAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCc1ccccn1 95475115 JVCBRXPDUDXNRC-UHFFFAOYSA-N 326.331 1.555 0 40 EDAB O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(CN2CCC(CO)CC2)cc1 95450581 FSGDUIBXDCGJDL-MOPGFXCFSA-N 346.471 1.924 0 40 EDAB CC1(C)CN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CC[S@@]1=O 88206340 OYNUPXIECOGBMT-HSZRJFAPSA-N 335.404 1.995 0 40 EDAB C[C@H](CNC(=O)NCc1ccc(C(=O)NC2CC2)cc1)N(C)C1CC1 95948550 SDCBYGIOWMOZKX-CYBMUJFWSA-N 344.459 1.861 0 40 EDAB C[C@H]1OCC[C@H]1C(=O)NCC(=O)Nc1ccccc1Br 95983245 MXPJDIUGVWQPRT-NXEZZACHSA-N 341.205 1.929 0 40 EDAB CCOc1ccccc1OC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 89272114 PLPZOTGHQYBYNB-ZDUSSCGKSA-N 333.388 1.137 0 40 EDAB CCN(CC)C[C@H]1CN(Cc2cc(C)nn2C)Cc2ccnn2C1 306124815 CAEWYPKGRXOXKD-INIZCTEOSA-N 330.480 1.899 0 40 EDAB CC(=O)N1CCN(C(=O)CCN[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 129801330 JDSIENFIRHLTRS-KGLIPLIRSA-N 349.397 1.778 0 40 EDAB C[C@@H](C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1)n1cnnn1 524735126 XMEUTQOMEFPWFR-FZMZJTMJSA-N 325.376 1.864 0 40 EDAB COC(=O)c1cn([C@H](C(=O)O)c2ccccc2)cc2c(O)nnc1-2 524734971 VYPGLZLXFOZDLT-ZDUSSCGKSA-N 327.296 1.549 0 40 EDAB Cc1cccc(CN2CCC(C(=O)N3CCN(C=O)CC3)CC2)c1 39749151 MTGJFASAFJLLGZ-UHFFFAOYSA-N 329.444 1.508 0 40 EDAB Cn1cnc([C@H]2CN(C(=O)NCCc3cccc(F)c3)C[C@@H]2N)c1 1553418237 HVGISOPFIVYOMC-GJZGRUSLSA-N 331.395 1.238 0 40 EDAB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(N)=O)c1 6642189 JGXHIHIXFGOQGH-IPELMVKDSA-N 348.443 1.857 0 40 EDAB biogenic O=C1CC[C@@H](C(=O)OC2=N[C@H](C(=O)Nc3ccc(Cl)cc3)CC2)N1 72238430 QODABUYWEPGPFS-RYUDHWBXSA-N 349.774 1.661 0 40 EDAB Cc1cccc(NC(=O)C(=O)NCc2nc(-c3ccco3)n[nH]2)c1 77840980 VCQUYTKELJHMKP-UHFFFAOYSA-N 325.328 1.628 0 40 EDAB CCn1nc(C(=O)Nc2ccc(-c3ccc(=O)[nH]n3)cc2)ccc1=O 42379877 BAOQUOAVPUYKQD-UHFFFAOYSA-N 337.339 1.266 0 40 EDAB CNCCc1ccccc1C(=O)N1CCN(c2ccc(F)cn2)CC1 569366778 JVGMRGOULXRLLB-UHFFFAOYSA-N 342.418 1.945 0 40 EDAB O=S(=O)(c1cccc(-c2nnc3n2CCOC3)c1)N1CCCCC1 571191797 DEYIFOQIQNWYAA-UHFFFAOYSA-N 348.428 1.650 0 40 EDAB Cc1ccc(CS(=O)(=O)NCc2nc(N(C)C)no2)c(F)c1 192877272 FIKKDTZMRMFZCB-UHFFFAOYSA-N 328.369 1.203 0 40 EDAB CC[C@]1(CO)CCCN1C(=O)N[C@@H]1CCN(c2ncccc2F)C1 190904747 ZKWIIELUNFNIGI-CXAGYDPISA-N 336.411 1.746 0 40 EDAB CC(C)(C(=O)N1CCC(F)(c2ccccn2)CC1)N1CCOCC1 576907458 HDLDFKPQSUURII-UHFFFAOYSA-N 335.423 1.980 0 40 EDAB C[S@](=O)c1cccc(NC(=O)NCc2nnc3n2CCCC3)c1 95398411 WMSKGZMWVDNNIO-HSZRJFAPSA-N 333.417 1.674 0 40 EDAB Cn1cc(N2CC[C@@]3(CCCN(Cc4ccccn4)C3)C2=O)cn1 96074093 UFQBNENLFIZBLK-GOSISDBHSA-N 325.416 1.834 0 40 EDAB c1csc(CNC[C@H]2COCc3c(-c4ccoc4)nnn3C2)n1 96199384 CHUVVDNFDZUYQX-LLVKDONJSA-N 331.401 1.931 0 40 EDAB CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccc3c(c1)OCO3)CC[C@H]2OC 96108537 XPPOAWFFIVZXFI-ARFHVFGLSA-N 346.427 1.525 0 40 EDAB CO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(CN)cc2)n1 582418541 DMIICMGSOBRWBN-LLVKDONJSA-N 333.392 1.577 0 40 EDAB CNC(=O)c1cc2c(nc1NCC1CC1)CCN(C(=O)NC)CC2 96260564 YPAMWWKCNLESHK-UHFFFAOYSA-N 331.420 1.003 0 40 EDAB CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccc(C)o1)C2 96060862 RADPTLDTQRLIHV-OAHLLOKOSA-N 347.463 1.877 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CC1)CCN(c1ncccn1)CC2 96158474 BNPGSORARISSAQ-HNNXBMFYSA-N 330.432 1.722 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 96064895 PQRFDQDKTQOBQP-USXIJHARSA-N 333.432 1.751 0 40 EDAB c1ccc(CN2CCC[C@@]3(C[C@H](CN4CCOCC4)CO3)C2)nc1 96075549 BPLOUSSOLLXXLJ-IEBWSBKVSA-N 331.460 1.785 0 40 EDAB CNC(=O)C1(N2CCC[C@H]2C(=O)NCc2cccnc2)CCCCC1 96113092 JUQIPYSNZAQGMD-INIZCTEOSA-N 344.459 1.611 0 40 EDAB biogenic,in-vitro CN(C)C(=O)NCC[C@@]12CCO[C@@H]1CCN(c1ncc(F)cn1)C2 96209154 YRLHZSRSRIFTPT-CJNGLKHVSA-N 337.399 1.262 0 40 EDAB Cc1ccnc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)c1 96344708 GOARCEKVFUZSCD-CQSZACIVSA-N 338.367 1.859 0 40 EDAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1cccs1)C2 96230532 FLYNVBZWLAKHLI-QGZVFWFLSA-N 345.472 1.405 0 40 EDAB O=C1CO[C@@]2(COCCN(Cc3ccco3)C2)CN1c1ccccn1 96078358 AKRMUYBMWVZKEP-GOSISDBHSA-N 343.383 1.309 0 40 EDAB CCN(CC(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C)C1CC1 583621171 MQRVCNHZPFYJHQ-HNAYVOBHSA-N 347.507 1.746 0 40 EDAB CC(=O)N1C[C@H](NC(=O)c2ccn(C)c(=O)c2)CC[C@H]1C(F)(F)F 583620014 JHTOQKBEGIZSNF-NEPJUHHUSA-N 345.321 1.057 0 40 EDAB CC(=O)N1CCN(C(=O)c2cccc(Nc3ncccn3)c2)CC1 95478902 AFSYNTVONPDLRK-UHFFFAOYSA-N 325.372 1.525 0 40 EDAB CCN1CCO[C@@H](CNC(=O)c2[nH]nnc2C)[C@@H]1c1ccccc1 583620957 PRAKPEASIDHIIT-HOCLYGCPSA-N 329.404 1.305 0 40 EDAB Cc1noc([C@@H]2CCO[C@@H]3CCN(S(=O)(=O)C4CC4)C[C@@H]32)n1 96043458 SRCZCXWQOSMKAP-JHJVBQTASA-N 327.406 1.065 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 96108831 NKMSZXYCKDCKRF-KDOFPFPSSA-N 327.384 1.588 0 40 EDAB CCCCS(=O)(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 248172023 SOBIDGFIYAUNMF-CABCVRRESA-N 337.445 1.387 0 40 EDAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H]1CO[C@H]2C=CC=C[C@H]2O1 247986668 ZNJLBBPXCGRSGZ-NXOAAHMSSA-N 327.384 1.557 0 40 EDAB CCOc1ccc(CCC2CCN(C(=O)[C@H]3C[C@@H](O)CN3)CC2)cc1 252502866 UWAZDKKDGXQBRP-IEBWSBKVSA-N 346.471 1.979 0 40 EDAB Cc1nn(C)c(C)c1-c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1 257225469 FGIOGFYBMZFEAP-UHFFFAOYSA-N 349.460 1.633 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257282842 OVNSBUWJSHCOHC-CQSZACIVSA-N 343.339 1.433 0 40 EDAB CN1C(=O)CCC[C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CC[C@H]21 257311355 UJBCGSBIZONLPI-NVXWUHKLSA-N 343.475 1.910 0 40 EDAB COc1ccccc1[C@@H]1CNCCN1Cc1cnc(N(C)C)nc1 257215748 CRMGLDZJBBJLFF-INIZCTEOSA-N 327.432 1.698 0 40 EDAB COCCN(C)S(=O)(=O)Nc1cccc(O)c1Br 585118939 JDVPQNRQYJJIAW-UHFFFAOYSA-N 339.211 1.390 0 40 EDAB COCCC1(CNC(=O)Nc2ccc(F)c(S(N)(=O)=O)c2)CC1 585135647 UQIRKYWNFMFWFA-UHFFFAOYSA-N 345.396 1.411 0 40 EDAB C[C@@H]1CCCN(c2nc(O)c3c(n2)CN(C[C@H]2CCOC2)CC3)C1 257247921 JBEDGBCEBIPOIS-ZIAGYGMSSA-N 332.448 1.813 0 40 EDAB C[C@H]1CN(C)[C@H](C)CN1C(=O)c1coc(Sc2ncccn2)n1 585135583 RISXQXSDVCRQMQ-MNOVXSKESA-N 333.417 1.780 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)NCc2ccoc2)C1 585115866 WUUHWRFELCMLLB-CYBMUJFWSA-N 344.433 1.956 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1Cc1cccc(F)c1F 257251841 JSLZKBGPHJEPSA-QGZVFWFLSA-N 332.354 1.992 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)C3CCNCC3)CCO2)ccn1 257283383 OYBAIPCKJFMEEY-QGZVFWFLSA-N 346.475 1.307 0 40 EDAB COC(=O)[C@H](C)[C@H](C)S(=O)(=O)NC(=O)[C@@H](C)c1cccs1 252492719 MTQRVONNUQEGSV-UTLUCORTSA-N 333.431 1.495 0 40 EDAB COc1ccc([C@@H]2CNCCN2C(=O)CCn2ccc(C)n2)cc1 257247914 JBDQXDUDVAUSIU-KRWDZBQOSA-N 328.416 1.763 0 40 EDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@]1(O)CCCC(C)(C)C1)C2 606444531 QFPSQRRFTZPDTA-LIRRHRJNSA-N 349.475 1.489 0 40 EDAB N[C@]12CC[C@H]1CN(C(=O)c1ccc3c(Br)cnn3c1)C2 1615547441 UKCSHXQOKSKFBG-HZMBPMFUSA-N 335.205 1.660 0 40 EDAB O=C(CN1CC(c2nc(-c3ccco3)no2)C1)NC[C@H]1CCCO1 96024285 BORULFJDAILIDD-GFCCVEGCSA-N 332.360 1.024 0 40 EDAB O=C(c1cnccn1)N1Cc2ccnn2[C@H](COc2ccccn2)C1 575403204 FRXDENRAOMFQSL-AWEZNQCLSA-N 336.355 1.344 0 40 EDAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)NC3CC3)[C@@H]3OCC[C@H]32)c1 585109419 ODWDENIIHKFPHG-BBWFWOEESA-N 328.412 1.812 0 40 EDAB CCn1ccnc1CN1CC[C@@H](Oc2cccnc2)[C@H](CC(N)=O)C1 585275659 DAKTUIKEJDPPTJ-GDBMZVCRSA-N 343.431 1.443 0 40 EDAB CNC(=O)[C@@]1(C)CN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)CCO1 585284126 HCVZQYLLFDVXTH-OLMNPRSZSA-N 326.481 1.791 0 40 EDAB Cc1cccc(CN2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)c1 585112694 VIUDFRJRTFHKMZ-QGZVFWFLSA-N 348.472 1.688 0 40 EDAB CCN1CCC(N2CCOC[C@@](O)(COc3cccc(C)c3)C2)CC1 585278058 PUGAHLNCSWUODH-HXUWFJFHSA-N 348.487 1.921 0 40 EDAB Cc1cc(C)n(-c2ccc(N3CCC(C(=O)NC4CC4)CC3)nn2)n1 62163544 IDPKYCNYFPPXDV-UHFFFAOYSA-N 340.431 1.774 0 40 EDAB CC(C)OCCOC(=O)CCNC1=NS(=O)(=O)c2ccccc21 42367972 LJEZWLARXMCTAF-UHFFFAOYSA-N 340.401 1.083 0 40 EDAB O=C(CCc1nc(-c2nc[nH]n2)no1)N[C@H]1CCCc2ccccc21 58280255 UKCZLDJRIRNZTC-ZDUSSCGKSA-N 338.371 1.981 0 40 EDAB CN1N=C(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CCC1=O 58289791 XXCTWDYMJNYTFK-GFCCVEGCSA-N 348.834 1.891 0 40 EDAB CCN(CC)[C@@H](C)CNC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 58291570 GSQGTMOOYXZXFZ-QWHCGFSZSA-N 344.452 1.834 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)Nc2ccccn2)C(N)=O)cc1 65487959 MMRVUOOOPJABRT-AWEZNQCLSA-N 342.399 1.946 0 40 EDAB COc1ccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1OC 57265227 CHGQBDZDIRYPML-OCCSQVGLSA-N 334.416 1.749 0 40 EDAB Cc1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)c(C)c1 71884358 UQIOISADIJYMMP-UHFFFAOYSA-N 342.486 1.412 0 40 EDAB CC(C)(C)Oc1ccc(B(O)OC(C)(C)C(C)(C)O)c(C(=O)O)c1 169980367 KMGCQEKKAVPLAW-UHFFFAOYSA-N 338.209 1.816 0 40 EDAB CCc1nsc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)n1 1615057436 CSDJUQGYAGMOIF-SNVBAGLBSA-N 328.438 1.519 0 40 EDAB C[C@@H]1CN(Cc2ccccc2NC(=O)N2CC=C(N)N2)C[C@@H](C)O1 1615002053 ZZSHYUCCYFEZSL-CHWSQXEVSA-N 331.420 1.448 0 40 EDAB CCc1nn(C)cc1CNC(=O)c1cc(F)cc(N2CCOCC2)c1 1615557641 XCKHROJHNAHJCP-UHFFFAOYSA-N 346.406 1.888 0 40 EDAB CC[C@@H]1CN(C(=O)COC)[C@H](CO)[C@@H]1CN(C)CCc1ccccc1 1772595111 YWDXWKZVWCAJKZ-GUDVDZBRSA-N 348.487 1.653 0 40 EDAB COCCCNS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 12187639 HRTZUEIXIPTUNK-UHFFFAOYSA-N 328.390 1.111 0 40 EDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc(F)ccc1OC 13581030 YIZNUIFXDNLKOF-UHFFFAOYSA-N 332.397 1.323 0 40 EDAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCc1ccccn1 14000976 FBKBFKURDFYGPJ-UHFFFAOYSA-N 333.351 1.589 0 40 EDAB c1ccc(N2CCN(Cc3nnnn3C[C@@H]3CCCO3)CC2)cc1 19372981 CRQDSAPYRDMJSW-INIZCTEOSA-N 328.420 1.174 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCc3oncc3C1)C(=O)C2 225676021 SHPBUFVAZJZJPO-BLLLJJGKSA-N 338.429 1.758 0 40 EDAB O=C1CN(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2N1 5398024 KCGRJQLFVQZANO-UHFFFAOYSA-N 335.319 1.268 0 40 EDAB CC(=O)Nc1cnn([C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)c1 1888854264 RWPIQGKRUJNUBY-AWEZNQCLSA-N 330.392 1.279 0 40 EDAB CCNC(=O)c1cn(C[C@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1888856531 ONMPBQUXJYQORC-AWEZNQCLSA-N 327.388 1.077 0 40 EDAB O=C1[C@@H]2CN(c3ncnc4[nH]ccc34)C[C@H]2C(=O)N1c1ccccc1 1888890160 HAQNFYCONLENEO-ZIAGYGMSSA-N 333.351 1.584 0 40 EDAB Cc1nsc(N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)n1 1888897014 CQJVNISZMQCTEJ-QWRGUYRKSA-N 342.432 1.096 0 40 EDAB Cc1ccc2nc(N3CCO[C@H](C(=O)N4CCOCC4)C3)sc2c1 1889136142 YWVOBQYICOMIAN-AWEZNQCLSA-N 347.440 1.669 0 40 EDAB COCCN1CCC(Cn2cnc3cc(OC)ccc3c2=O)CC1 1848592660 JANWNWOSBYYZNE-UHFFFAOYSA-N 331.416 1.764 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 25134071 ZHRSJKVAKDOQOR-GFCCVEGCSA-N 332.356 1.433 0 40 EDAB C[C@@H](NS(=O)(=O)N1CCCCC1)c1ccc2c(c1)NC(=O)CO2 26869623 SIVPYCOFDJLBIC-LLVKDONJSA-N 339.417 1.399 0 40 EDAB CC(C)(C)c1ccc(N2CCN(c3ncnc4[nH]cnc34)CC2)nn1 1776009273 BWLQDVSONZEHSZ-UHFFFAOYSA-N 338.419 1.767 0 40 EDAB O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc2ccccc2n1 239412552 SVLWIPPGQKBCSI-YXAMBPQSSA-N 333.347 1.687 0 40 EDAB Cc1cccc(CN2CCO[C@H]3CN(Cc4cn(C)nc4C)C[C@@H]32)n1 2056223815 CSTDGDBJUQFCEM-OALUTQOASA-N 341.459 1.517 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)C1CC(F)(F)C1)CC2 1565544414 KGFBLZCGIPKRJX-UHFFFAOYSA-N 344.402 1.909 0 40 EDAB CO[C@@H]1CCN(C(=O)Cn2ccccc2=O)C[C@H]1Cc1ccccc1 1565542814 UZBWWIQOACWFKL-QZTJIDSGSA-N 340.423 1.955 0 40 EDAB O=C(N1CCn2c(CNc3cccnc3)nnc2C1)C1(F)CCC1 1565553505 BHDRHTVRWRZLGM-UHFFFAOYSA-N 330.367 1.520 0 40 EDAB COc1ccc(OCC(=O)Nc2cnn(CCCC(=O)O)c2)cc1 1424804 MABOZMPCNRNAPK-UHFFFAOYSA-N 333.344 1.774 0 40 EDAB CCOc1ccc(-c2ccc3nnc(SCC(N)=O)n3n2)cc1 5167760 WHIUGYJELHBESM-UHFFFAOYSA-N 329.385 1.767 0 40 EDAB COc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2CO)c1 12230786 BDDBGGDVYOCNIX-UHFFFAOYSA-N 348.355 1.005 0 40 EDAB Cc1csc(C(=O)N2C[C@H]3ON=C(C(=O)N4CCCC4)[C@H]3C2)c1 2055713670 UTJFDGRKRBIBTH-NWDGAFQWSA-N 333.413 1.506 0 40 EDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2cccs2)CC1 2055745795 BTTHXMJQKKWJPX-UHFFFAOYSA-N 333.461 1.096 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CCc3onc(CN4CCCC4)c3C2)cn1 2055732524 KXJCXJHDAPYWOY-CYBMUJFWSA-N 329.404 1.291 0 40 EDAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3csnn3)CC2)n1 1775971732 LQLKFQABZPRTTO-UHFFFAOYSA-N 347.444 1.870 0 40 EDAB O=C(NCCCn1ncccc1=O)c1cc(-c2cccs2)n[nH]1 38517320 NJGOCCSFMPERRF-UHFFFAOYSA-N 329.385 1.515 0 40 EDAB O=C(O)c1cncc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 2458694 SHXXFQVJIDBLHM-UHFFFAOYSA-N 336.325 1.352 0 40 EDAB NC(=O)c1ccccc1NC(=O)C[C@@H]1CSc2nccc(=O)n21 14031358 QWXKRVVCUNXQIT-SECBINFHSA-N 330.369 1.018 0 40 EDAB COc1ccc(S(=O)(=O)NCCCn2cccn2)cc1Cl 30335375 RGZBDFQGOPDRBI-UHFFFAOYSA-N 329.809 1.914 0 40 EDAB Cc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)no1 30337819 OXXHFVXDYJZVER-UHFFFAOYSA-N 338.385 1.965 0 40 EDAB NC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O 116286 KWOLPLSXMYDDJL-UHFFFAOYSA-N 337.335 1.410 0 40 EDAB COCCCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O 2415990 XPNCDBGUXXYPHP-UHFFFAOYSA-N 342.351 1.842 0 40 EDAB CCn1c(=O)c2c(nc(SCc3ccc(F)cc3)n2C)n(C)c1=O 887133 LJVDVKAPVCZQLP-UHFFFAOYSA-N 348.403 1.885 0 40 EDAB C[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nc(C2CC2)no1 40528726 VMUXDZAROWZXBB-SNVBAGLBSA-N 327.406 1.263 0 40 EDAB O=C(CCc1nc(Cc2ccccc2)no1)N[C@H]1CCCCNC1=O 40533899 SWSOHZBJBTZFHK-AWEZNQCLSA-N 342.399 1.378 0 40 EDAB CCOC(=O)[C@H]1C(=O)O[C@]2(CCOC(C)(C)C2)[C@@H]1C(=O)OCC 4111172 WJYLFABUDRLBIA-MMPTUQATSA-N 328.361 1.230 0 40 EDAB Cc1nnc2ccc(N3CCC[C@@H](C(=O)NC4CCCC4)C3)nn12 32093311 ZKIDOIBRPPBWLT-CYBMUJFWSA-N 328.420 1.708 0 40 EDAB CC1=NN(S(=O)(=O)c2c(C)nn(C)c2C)[C@@](O)(C(F)(F)F)C1 17071182 QHSUCTGRGVIEKO-JTQLQIEISA-N 340.327 1.058 0 40 EDAB COC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@H]12 6498208 PRQQFNDOCVAYKE-YWVKMMECSA-N 349.389 1.751 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(-n2nc(C)cc2C)cc1 89595646 FLHGYAPFMNBRMX-IRXDYDNUSA-N 329.400 1.597 0 40 EDAB Cn1c(=O)n(CCC(=O)N[C@@H]2CCN3CCCC[C@H]23)c2ccccc21 40534770 RDRYBEFFMPKCFI-HUUCEWRRSA-N 342.443 1.473 0 40 EDAB O=C(NCCc1nnc2n1CCCCC2)NOCc1ccccc1 45862828 DKCUQZJEJXNOMX-UHFFFAOYSA-N 329.404 1.978 0 40 EDAB Cc1cc(=O)c(C(=O)NC[C@@H](C)N(C)C)nn1-c1ccc(Cl)cc1 46273229 HBGFPIMTVFQDAD-GFCCVEGCSA-N 348.834 1.874 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)no1 32797190 HROMWZKIGHONSD-LLVKDONJSA-N 341.371 1.679 0 40 EDAB C[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2 32803244 VRUPCTMYRUCSEY-QWRGUYRKSA-N 340.401 1.210 0 40 EDAB O=C(NCc1ccc(Cn2cncn2)cc1)[C@@H]1Cc2ccccc2O1 32868970 AKMBAVGJGKGVTD-SFHVURJKSA-N 334.379 1.946 0 40 EDAB Cc1nc2c(cc1C(=O)NC[C@H](C)N1CCOCC1)c(C)nn2C 29964245 JLDADVZQBGIRKV-NSHDSACASA-N 331.420 1.036 0 40 EDAB C[C@H](CNC(=O)c1cncn1-c1ccc(F)cc1)N1CCOCC1 29959092 PEIDKQBJWYZMTH-CYBMUJFWSA-N 332.379 1.462 0 40 EDAB Cc1cccc(OCCC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1 89677634 LXNDYKPWISKLMU-CQSZACIVSA-N 340.445 1.304 0 40 EDAB Cc1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1F 103527229 DPOVJORQFCJAKW-APYUEPQZSA-N 342.370 1.671 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)c2ccc(COc3ccccc3F)o2)C1 53894836 OMZNLBWDZZHXKX-NSHDSACASA-N 332.331 1.945 0 40 EDAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)ccc21 814688 CTRKEJDDVZYURF-UHFFFAOYSA-N 348.336 1.631 0 40 EDAB NC(=O)NCc1ccc(C(=O)NC2CCC3(CC2)OCCO3)cc1 53951955 NDURTIXQYNXJOY-UHFFFAOYSA-N 333.388 1.270 0 40 EDAB CC(=O)N1CCN(C(=O)c2cnc(OC(C)C)c(Cl)c2)CC1 54058239 UZADCPUPHJQLLR-UHFFFAOYSA-N 325.796 1.827 0 40 EDAB O=C(CCN1CCC[C@@H]1C[C@H](O)c1ccccc1)N1CCOCC1 76107042 HLXAUFGYQJQQGN-MSOLQXFVSA-N 332.444 1.823 0 40 EDAB Cn1nc(C(=O)NCCc2ccccc2Br)ccc1=O 61264505 ONHLHMCVNRHHAY-UHFFFAOYSA-N 336.189 1.515 0 40 EDAB O=C1COc2ccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)cc2N1 23328163 BMSAVRUBBIZHLV-UHFFFAOYSA-N 343.383 1.605 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)NC[C@@H](O)c1ccsc1 89853186 PCNVZWIEHWCJOX-CYBMUJFWSA-N 329.385 1.251 0 40 EDAB Cc1cc(N2CCN(C(=O)c3ccc(O)nn3)CC2)nc(C(C)C)n1 24218064 CEWRCJOXPTYBBI-UHFFFAOYSA-N 342.403 1.366 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)CCCC(=O)OC)ccc21 25072881 HVZJJZVSFUBERS-UHFFFAOYSA-N 345.399 1.750 0 40 EDAB CCOC(=O)c1ncn2c(N)c(C(=O)Nc3ccccc3)nnc12 1414232 ZFKQJFFCAGRHNW-UHFFFAOYSA-N 326.316 1.136 0 40 EDAB C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@H](C(N)=O)C1 34894759 WFTSVUYJZDDOQU-MNOVXSKESA-N 341.358 1.812 0 40 EDAB CN(C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1)S(C)(=O)=O 107319354 NBVVCDNRSHTRFK-JKSUJKDBSA-N 336.457 1.673 0 40 EDAB NC(=O)CC1CCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1 43889452 LGXMNOXKMFKLGF-UHFFFAOYSA-N 333.388 1.255 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)N[C@H]1CCCN(c2ncccn2)C1 56884945 SUXLGWRGWGPSFK-KBPBESRZSA-N 348.451 1.049 0 40 EDAB C[C@H](C(=O)NC1CCCCCC1)N1CCN(c2ncccn2)CC1 57315423 QDBFMHFDZVKBMZ-OAHLLOKOSA-N 331.464 1.826 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)CNc2ccccc2OC(F)F)C1 75572111 QERWXUBBHABZQZ-SNVBAGLBSA-N 327.331 1.424 0 40 EDAB C[C@@H](Sc1nncs1)C(=O)NCc1ccnc(-n2cccn2)c1 58157445 FUPXNCQCSGHMSL-SNVBAGLBSA-N 346.441 1.916 0 40 EDAB COC(=O)c1cccc(OCCN2C(=O)C(=O)N(C(C)C)C2=O)c1 58161952 MANFKZWMNQKSKS-UHFFFAOYSA-N 334.328 1.051 0 40 EDAB COCC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 58214778 DNOSYHWTZHFNBD-CQSZACIVSA-N 346.349 1.841 0 40 EDAB CCN1CCN(c2ccc(C(=O)NC[C@H]3CCCO3)cc2F)CC1 58200835 YTWJGJAVXZSNQU-OAHLLOKOSA-N 335.423 1.876 0 40 EDAB COC(=O)CN(CC(=O)NC(C)C)Cc1cc(OC)cc(OC)c1 58225035 ZOXJKNFJYZMVFX-UHFFFAOYSA-N 338.404 1.203 0 40 EDAB Cc1cc(=O)n2nc(NC[C@H](C)N3C[C@@H](C)O[C@H](C)C3)sc2n1 44913903 XJHDERBWXNUIGS-QJPTWQEYSA-N 337.449 1.369 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC(CC(N)=O)CC1 44953992 OOWQIUGSOCYCCZ-QWHCGFSZSA-N 335.452 1.769 0 40 EDAB O=C1CCCc2[nH]c(=O)c(C(=O)NCCOc3cccc(F)c3)cc21 27718174 UIYHTVCTVROUPK-UHFFFAOYSA-N 344.342 1.842 0 40 EDAB C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@@H](C)O1 47823914 HBAZFNAVCLLSOD-AOOOYVTPSA-N 329.194 1.247 0 40 EDAB COc1ccc(CCN2CCN(CCC(=O)NC3CC3)CC2)cc1 58311695 CBMROOWQWQXYOR-UHFFFAOYSA-N 331.460 1.524 0 40 EDAB c1cc2n(n1)C[C@H](CNCc1ccc(CN3CCOCC3)cc1)CN2 58305836 ZDRYUOPOMZHNDQ-GOSISDBHSA-N 341.459 1.547 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)CNC[C@@H]1CNc2ccnn2C1 58304920 HLUVOVKAWJPLTO-CVEARBPZSA-N 330.432 1.571 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)Nc1ccc(N2CCOCC2)nc1 48070415 MWYGIABIRKTLAX-ZDUSSCGKSA-N 330.392 1.325 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 3306270 RMXHQVPVYOHBHL-UHFFFAOYSA-N 329.356 1.442 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)C2(S(C)(=O)=O)CCCC2)c1 70039640 RHXBSJVYGBKDNC-CQSZACIVSA-N 339.461 1.540 0 40 EDAB CCN1CCC[C@@H](NC(=O)Cc2c(C)nc3c(c2C)c(=O)[nH]n3C)C1 69421136 IEYAGJKFSHZSII-CYBMUJFWSA-N 345.447 1.021 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCCCn2ccnc2)C1=O 48288382 HTGZBLQKXBJEIP-AWEZNQCLSA-N 342.399 1.594 0 40 EDAB CC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 69372617 WPKPAHYEOADFQA-ZWKOTPCHSA-N 329.444 1.379 0 40 EDAB COC(=O)CCNC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 69451354 KFPJEYGINJLDAA-UHFFFAOYSA-N 330.388 1.992 0 40 EDAB COC(=O)Cc1csc(NC(=O)[C@H]2CCCN2C(=O)C(C)C)n1 69441034 WZXODBPNFVZOLK-LLVKDONJSA-N 339.417 1.444 0 40 EDAB C[C@@H]1CCCCN1C(=O)CCNC(=O)COCCOc1ccccc1 69458281 BGBWRZLCHYTSNA-MRXNPFEDSA-N 348.443 1.989 0 40 EDAB CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2N)CC1 3888652 KIMXPFIREPMHFU-UHFFFAOYSA-N 340.493 1.441 0 40 EDAB NC(=O)Cn1cc(NC(=O)NCCCOc2ccc(F)cc2)cn1 63777763 JYDIUXZLZILWGJ-UHFFFAOYSA-N 335.339 1.098 0 40 EDAB Cc1ccc(Cl)cc1-n1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 8709685 YPPXRBZMCFLWAQ-UHFFFAOYSA-N 343.774 1.935 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)NCCc1ccccc1 69589485 USLANYKVONOSIJ-RTBURBONSA-N 343.471 1.821 0 40 EDAB CN(C)CCOc1ccc(CNc2cnn(C)c(=O)c2Cl)cc1 69570594 TYDJXFGSHWOCHU-UHFFFAOYSA-N 336.823 1.986 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CC[C@H](CNc2ccccn2)C1 65473332 XTOZTDQDNSNXSA-OAHLLOKOSA-N 342.447 1.804 0 40 EDAB CN1CCC(NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 65604367 VEFJJAIXNRZTQI-CQSZACIVSA-N 340.468 1.779 0 40 EDAB O=S(=O)(C[C@@H]1CCCCO1)NCc1cnn(-c2ccccc2)c1 69620212 HGGKEDYQMNBXCS-INIZCTEOSA-N 335.429 1.861 0 40 EDAB Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)Cn1nnc2ccccc21 69654100 OWAZOYDRDHGILR-UHFFFAOYSA-N 348.366 1.857 0 40 EDAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC1 5558907 IHAYWVKTMSWSOK-UHFFFAOYSA-N 340.401 1.065 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2ccc(OCC3CC3)nc2)CC1 69777940 UPINQPODNCEIAD-UHFFFAOYSA-N 333.432 1.399 0 40 EDAB c1csc([C@H](CNc2ccc3nnnn3n2)N2CCOCC2)c1 14728820 NFOKTUCCULZHGU-NSHDSACASA-N 331.405 1.066 0 40 EDAB C[C@@H]1CN(C2CCN(CC(=O)N(C)CC(F)(F)F)CC2)CCO1 66561388 PZOYMLCWCHSVEF-GFCCVEGCSA-N 337.386 1.192 0 40 EDAB CCOC(=O)Cn1c([C@@H](C)N2CCOCC2)nc2ccccc2c1=O 20445539 PVHBHFBJQPXAHC-CYBMUJFWSA-N 345.399 1.353 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCN(Cc2ccncc2)CC1 67139600 KYMJQMCNIPQWIV-UHFFFAOYSA-N 339.395 1.811 0 40 EDAB Cc1ccc(N2CCC[C@H](N(C)[C@H](C(N)=O)c3ccccc3)C2)nn1 69869957 MHHHPHDRTRPVET-WMZOPIPTSA-N 339.443 1.912 0 40 EDAB C[C@@H]1CCCCN1C(=O)Cn1c(S(C)(=O)=O)nc2ccccc21 15374376 OALBWHQAMZXRBX-GFCCVEGCSA-N 335.429 1.841 0 40 EDAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)NC(=O)c1cccs1 7161318 HNFLDVHDMCDPLN-LBPRGKRZSA-N 347.348 1.388 0 40 EDAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3CC3)C2=O)cc1 7125515 UZODNSIPORRCKN-GOSISDBHSA-N 329.400 1.685 0 40 EDAB O=C(CNC(=O)c1ccc(-n2cncn2)cc1)OCc1ccccc1 15516332 PXRGLDWMCNBJDJ-UHFFFAOYSA-N 336.351 1.741 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 15593843 NGTOGYNDYDPAIB-UHFFFAOYSA-N 331.353 1.512 0 40 EDAB C[C@H](OC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1)C(N)=O 7253863 DXVOAEBQHABSFY-ZDUSSCGKSA-N 340.379 1.989 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CSc4ccccc43)CCO2)n1 76045368 ONDAPKVEDMOZTJ-OLZOCXBDSA-N 330.413 1.903 0 40 EDAB CCc1nn2c(=O)cc(CN3CCC(C(=O)OC)CC3)nc2s1 7647652 YHPVIXUFYZLPGX-UHFFFAOYSA-N 336.417 1.098 0 40 EDAB COc1ccc(C(=O)NCC(=O)OCC(=O)c2ccccc2)cc1 7679183 JADYFXAWOPFOPP-UHFFFAOYSA-N 327.336 1.851 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)CNc1cccc(C(F)(F)F)c1 69974517 FXUGPJBSZPHNLC-MRVPVSSYSA-N 347.293 1.505 0 40 EDAB Cn1nccc1C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 69918405 WADJSUPLDKGDQG-ZDUSSCGKSA-N 349.412 1.625 0 40 EDAB NC(=O)[C@@H](NC(=O)Cc1ccc(-n2cccn2)cc1)c1ccccc1 71851661 OPKHCBVVOKZTGG-SFHVURJKSA-N 334.379 1.758 0 40 EDAB O=C1[C@H](NS(=O)(=O)c2cc(F)ccc2F)CN1c1ccccc1 96008913 RONFSKASVXENEL-CYBMUJFWSA-N 338.335 1.659 0 40 EDAB COC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCOCC1 20972256 XTTCHSAARGVPEY-UHFFFAOYSA-N 332.278 1.811 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cccc(OCC(N)=O)c1 71880591 VMVBNWLIOBZGDI-ROUUACIJSA-N 345.443 1.526 0 40 EDAB NC(=O)Cn1cc(NC(=O)c2ccc(N3CCCC3)c(F)c2)cn1 71883220 KHTFBKGEVYCCRO-UHFFFAOYSA-N 331.351 1.360 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 71916302 BQZPPZODSGACBW-UHFFFAOYSA-N 329.404 1.847 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cnn(C)c1 78941306 WIOFTBQWBKWMAF-XJKSGUPXSA-N 341.415 1.581 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCCCN1C 72295740 DFQOOEYKRRTMMD-MJGOQNOKSA-N 344.503 1.798 0 40 EDAB Cc1cc2ncc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)n2n1 72235967 MQSZNBCGCPPQMK-UHFFFAOYSA-N 325.372 1.581 0 40 EDAB CN(C)c1nc(CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)ns1 97080298 PWYHDVGIUGTTIB-KRWDZBQOSA-N 342.424 1.747 0 40 EDAB CCN(C(=O)CNc1cc(F)ccc1C)[C@@H]1CCS(=O)(=O)C1 72314822 TWEYCLQLBASQLW-CYBMUJFWSA-N 328.409 1.582 0 40 EDAB Cc1cc(C)cc(-n2ccnc2S(=O)(=O)Cc2ncnn2C)c1 79048474 ADWQTBMJFDFHKH-UHFFFAOYSA-N 331.401 1.592 0 40 EDAB CN(C)S(=O)(=O)Nc1ccc(F)cc1I 79016449 POJJRKIXEMBZQM-UHFFFAOYSA-N 344.149 1.649 0 40 EDAB CC(=O)c1cc(S(=O)(=O)N[C@H]2CCNC2)ccc1Br 95467167 IAWXNYZXFJQTED-VIFPVBQESA-N 347.234 1.292 0 40 EDAB CS[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccs2)C[C@H]1N(C)C 95444684 YWZPVYZAAANHRA-NQBHXWOUSA-N 341.502 1.370 0 40 EDAB CN(C)S(=O)(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 95432939 IKFGCGXLMQYSHP-UHFFFAOYSA-N 341.260 1.984 0 40 EDAB CCCS(=O)(=O)NCc1ccccc1CN1CCC(O)CC1 95459901 HRWFETIUGGDZLF-UHFFFAOYSA-N 326.462 1.473 0 40 EDAB CCN1CC[C@@H](N(C)S(=O)(=O)N2CCC[C@@H]2c2ccc(C)o2)C1 84780053 JAUPEYFZHHXJRT-HUUCEWRRSA-N 341.477 1.996 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)C[C@H]1N(C)C 84735545 YNSVUIRFMRPWLM-CZUORRHYSA-N 328.416 1.195 0 40 EDAB O=C(c1cccnc1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 95999351 MCHNTVGSDQAITD-UHFFFAOYSA-N 343.408 1.299 0 40 EDAB NC(=O)C[C@@H](Nc1cnc2cc(F)c(F)cc2n1)C1CCOCC1 95975479 LHAGJWRSERYSMB-GFCCVEGCSA-N 336.342 1.991 0 40 EDAB CCc1nncn1CCNC(=O)N1CCN(Cc2ccccc2)CC1 74872588 GDMCUVMLCOTYQX-UHFFFAOYSA-N 342.447 1.368 0 40 EDAB COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 116549425 VBDMCZGBIBBIKC-GOEBONIOSA-N 335.452 1.030 0 40 EDAB O=C(O)CN1C(=O)N/C(=C/c2cc(Br)ccc2O)C1=O 408596010 YOXXSZIRPOPSER-XBXARRHUSA-N 341.117 1.132 0 40 EDAB Cc1n[nH]cc1S(=O)(=O)N(C)[C@H](C(=O)O)c1ccc(F)cc1 547924486 CPAOVGTUZOPVMU-LBPRGKRZSA-N 327.337 1.304 0 40 EDAB CCCCCNc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O 217595288 SXDHQDHRRGSAOA-UHFFFAOYSA-N 344.433 1.648 0 40 EDAB N[C@@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218643835 UDJUFVUGHYDEHN-YCPHGPKFSA-N 335.356 1.548 0 40 EDAB O=C(O)COc1ccc(S(=O)(=O)N2CCC3(CCO3)CC2)cc1 548901870 HXNIGGANZXHVMX-UHFFFAOYSA-N 341.385 1.094 0 40 EDAB CCN(CC1CCN(C(=O)CN)CC1)C(=O)OCc1ccccc1 79412433 ZVCJSOYNFYOVMR-UHFFFAOYSA-N 333.432 1.842 0 40 EDAB Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN(CCO)C2)n1 72361649 ZHZPXSFIZZIGOS-CQSZACIVSA-N 328.420 1.799 0 40 EDAB Cc1noc(CNC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)n1 77591857 ZXLGHGNFZOUQLS-CYBMUJFWSA-N 329.404 1.794 0 40 EDAB Cc1ncn(CCNC(=O)NCCCc2ccccc2)c(=O)c1C 75166399 YECHORYLMDHKSB-UHFFFAOYSA-N 328.416 1.792 0 40 EDAB CC(=O)N1CCC(C(=O)OC2CCN(C(=O)OC(C)C)CC2)CC1 79037222 BMLBPPHBPBRIGU-UHFFFAOYSA-N 340.420 1.798 0 40 EDAB CC(C)n1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cn1 72239283 DCGGFEPNMKMBPC-UHFFFAOYSA-N 334.445 1.975 0 40 EDAB CSc1nn(CC(N)=O)c2nc3sc4c(c3c(=O)n12)CCCC4 40266940 XNFQZJPXVLGJPC-UHFFFAOYSA-N 349.441 1.192 0 40 EDAB CCc1c(NC(=O)N[C@@H]2CCc3ncnn3C2)cnn1CC(C)C 133215613 ZTMMTECXSWRUSV-GFCCVEGCSA-N 331.424 1.830 0 40 EDAB COCc1nn2c(=O)cc(COC(=O)c3ccc(C)cc3)nc2s1 41077314 GCPQFNXSROCOLK-UHFFFAOYSA-N 345.380 1.963 0 40 EDAB CC(=O)N1CC[C@H](CNC(=O)c2ccccc2N2CCOCC2)C1 521447426 YHEMXFITOKURFY-OAHLLOKOSA-N 331.416 1.121 0 40 EDAB Cc1ncccc1C(=O)N1CCC[C@H](Oc2nccnc2N(C)C)C1 225506872 VGRDDLMFCBFEBH-AWEZNQCLSA-N 341.415 1.930 0 40 EDAB COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2ccsc2)C1 190835573 MHQNESYLZSQMND-AWEZNQCLSA-N 332.491 1.621 0 40 EDAB Cc1cnc(NS(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)s1 227161699 RBNZZUIVJWPILP-UHFFFAOYSA-N 339.398 1.608 0 40 EDAB CN1CCN(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 224990885 XYUULNNNKDHXER-UHFFFAOYSA-N 339.867 1.861 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2CN(C(=O)c3nccn3C)C[C@H]2C1 96081452 SITHOROSHJPMCC-LSDHHAIUSA-N 343.431 1.619 0 40 EDAB C[C@@H](O)C[C@H]1CCCCN1C(=O)CCCN1C(=O)C(C)(C)N=C1O 331011615 XYOOFTYLPMVVHY-CHWSQXEVSA-N 339.436 1.453 0 40 EDAB O=C(c1nc2ccccn2c1F)N1CCN(C2CCCC2)C[C@@H](O)C1 97743631 PFJHPKBFTROMNJ-CQSZACIVSA-N 346.406 1.535 0 40 EDAB O=C(Cn1cnnn1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 97237880 WRXXFFXCARTWCN-LBPRGKRZSA-N 341.293 1.292 0 40 EDAB CC(C)c1ncc(S(=O)(=O)Nc2ccccc2-n2cncn2)[nH]1 96447398 AIIROBBVZFLJGP-UHFFFAOYSA-N 332.389 1.915 0 40 EDAB Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)CC(C)(C)C)[C@H]2O)cc1 96111593 HCQPCNZZHRLRSU-NUJGCVRESA-N 334.460 1.765 0 40 EDAB biogenic,in-vitro Cc1cc(C(=O)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)cc(C)n1 96217085 UWWACDNWRLLFHZ-HRCADAONSA-N 342.399 1.862 0 40 EDAB Cc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(C2CCCC2)C3)cn1 96038804 LBMCJPUAKWONEY-IEBWSBKVSA-N 344.459 1.825 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N1CC[C@H](CN2CCCCC2)C1 96426737 QOIYNCBEWCFQGV-OAHLLOKOSA-N 342.505 1.678 0 40 EDAB Cn1cccc1C(=O)N1CC[C@@]2(C[C@H](Nc3ccccn3)CO2)C1 96219089 KXUVOLYAJGAFII-KBXCAEBGSA-N 326.400 1.906 0 40 EDAB NS(=O)(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 96474435 HNWRJTPRMBPATA-UHFFFAOYSA-N 348.266 1.207 0 40 EDAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)Cc2cn3ccsc3n2)C1 96419142 BWISERIPEWUUMI-PWSUYJOCSA-N 341.458 1.410 0 40 EDAB O=C(c1ccno1)N1CCC2(CC1)COCCN(c1ncccn1)C2 96240016 LDOONHRDERIKFE-UHFFFAOYSA-N 343.387 1.224 0 40 EDAB Cc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1 531738941 UPPYCGSFRQQNPV-UHFFFAOYSA-N 348.380 1.610 0 40 EDAB O=C(NC[C@@H]1C[C@H](F)CN1Cc1cncnc1)c1cc(Cl)c[nH]1 583623138 PJZMQQRYMKVOEJ-STQMWFEESA-N 337.786 1.801 0 40 EDAB CCN1CCN(C(=O)c2ccc(C)nc2O)C[C@@H]1c1nccn1C 583615056 LNSWKFYPDGTFDH-CQSZACIVSA-N 329.404 1.348 0 40 EDAB O=C(c1ncccn1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 247852238 JCRXQZIXKSJUAQ-CQSZACIVSA-N 349.456 1.620 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)c2coc(C)n2)n1 257258973 KWHLZOYVDAPGBG-AWEZNQCLSA-N 329.360 1.386 0 40 EDAB O=C(O)CCc1cccc([C@@H]2CCCN(CC3(O)CCOCC3)C2)n1 257269047 MOIVGMIIUQEXJZ-OAHLLOKOSA-N 348.443 1.820 0 40 EDAB CC(C)n1nccc1-c1cnc(C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 257274198 NJYOWGICSPULRU-ZDUSSCGKSA-N 349.460 1.745 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)cn1 257302568 SDKLBMYGZFSNKA-SFHVURJKSA-N 341.415 1.284 0 40 EDAB Cc1cccc(C(=O)N2CC[C@H](O)[C@@H](N3CCCN(C)CC3)CC2)c1 257311883 ULKBHKHQHGGWJG-OALUTQOASA-N 345.487 1.598 0 40 EDAB CN=[S@](C)(=O)c1cccc(NC(=O)COC[C@@H]2CCCO2)c1 585091017 LNSIROXWKAARCC-WHEQGISXSA-N 326.418 1.907 0 40 EDAB COc1cc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc2cccnc12 585086470 JQLWYUSKGPKXIU-GFCCVEGCSA-N 338.371 1.971 0 40 EDAB COc1cccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H](OC)[C@@H]2O)c1 257233770 GQQUNIAYJGUVBK-BZUAXINKSA-N 343.445 1.634 0 40 EDAB Cc1nccc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)n1 257263759 LRIASDAAGWAGIU-QGZVFWFLSA-N 345.378 1.080 0 40 EDAB C[C@H](O)CN(C)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 585114171 ZNJISLXYUFRZSX-STQMWFEESA-N 342.436 1.242 0 40 EDAB COc1cc(NC(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)ncn1 585140382 CPXGFGRENDPRPV-CYBMUJFWSA-N 333.392 1.254 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)CCc3cccnc3)CC2)OC[C@]1(C)O 257253779 KAGUFQFBESNTHY-WMZOPIPTSA-N 347.459 1.135 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)c2cscn2)n1 257331875 XUQQNFZDCRXHRO-CYBMUJFWSA-N 331.401 1.547 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)CCc3cc(Cl)no3)CCO2)n1 257235250 GXAZIZOQXIOMDK-LBPRGKRZSA-N 338.795 1.903 0 40 EDAB CO[C@@H]1CCCC[C@@H](NC(=O)CCc2nnc(C(C)C)o2)[C@H]1O 257328640 XGNSALUUGPXWHZ-LALPHHSUSA-N 325.409 1.560 0 40 EDAB O=C(CC1CCOCC1)NC[C@]1(O)CCCN(c2ccccn2)C1 257245798 IRDFQCPOFLXKHS-GOSISDBHSA-N 333.432 1.346 0 40 EDAB CC1(C)C[C@@H](S(=O)(=O)N2Cc3ccccc3[C@H](C(=O)O)C2)CO1 629333885 ZDRNWZHYAQUIIB-TZMCWYRMSA-N 339.413 1.568 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCn2nc(C3CC3)cc2C1 390832401 ZGVATYRJMUPSJC-UHFFFAOYSA-N 338.367 1.711 0 40 EDAB c1cnc(OC[C@H]2CCn3nccc3CN2C2CCOCC2)nc1 585097506 MNMYWBVJQIJIGR-MRXNPFEDSA-N 329.404 1.505 0 40 EDAB C[C@@]1(CNC(=O)[C@H]2CC(C(=O)O)=NN2c2ccccc2)CCOC1 585134438 TUELLSHMDRXAKG-PBHICJAKSA-N 331.372 1.249 0 40 EDAB O=C(c1cc(O)ncn1)N1Cc2ccnn2CC[C@@H]1COCC1CC1 585097835 RMXCCCCSCWFWJI-CQSZACIVSA-N 343.387 1.220 0 40 EDAB O=C(CCCn1cncn1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 585273569 WRRUVKLZQCHJBD-IRXDYDNUSA-N 328.416 1.653 0 40 EDAB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 65623238 HQMBKNBJBHVUSO-LLVKDONJSA-N 347.396 1.432 0 40 EDAB C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H]1Cn1cncn1 69872146 JDTKQJGCMZXLGQ-GDBMZVCRSA-N 325.416 1.720 0 40 EDAB Cn1cnc(CNC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)n1 91791329 POIOJWSJEFKROV-CYBMUJFWSA-N 335.795 1.752 0 40 EDAB O=S(=O)(N[C@]1(CO)CCOC1)c1sc2ccccc2c1Cl 1615057473 HICGBOYIQLLBGT-ZDUSSCGKSA-N 347.845 1.984 0 40 EDAB Cc1cc(C(=O)N(CCN2CCOCC2)C2CCOCC2)cc(C)n1 1615591601 YGTDZTRGRIPTSW-UHFFFAOYSA-N 347.459 1.652 0 40 EDAB CNC(=O)c1cccc(Cn2cnc3c2CCNC32CCOCC2)c1 1615588383 FOZZBOFFIKVIBN-UHFFFAOYSA-N 340.427 1.442 0 40 EDAB CCn1cc(Br)c(C(=O)N[C@@H]2CCC(=O)N(C)C2)n1 1615613204 UPLWLFHDIVMUID-MRVPVSSYSA-N 329.198 1.016 0 40 EDAB C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N(C)CCn1cnnc1 1616022234 FXJOZLYFMLFOGM-LLVKDONJSA-N 339.346 1.839 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1cnc(-c2ccccn2)c1 1616033020 ZECVOOUYKBQDQS-CQSZACIVSA-N 330.388 1.649 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCN(c3nccn3C)CC2)c1 13693486 YNGBCSPTCVSNMI-UHFFFAOYSA-N 330.388 1.400 0 40 EDAB Cc1ccccc1CCC(=O)N1CCC(N2C(=O)CNC2=O)CC1 253405611 SRQRLTXINQUVBW-UHFFFAOYSA-N 329.400 1.470 0 40 EDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)C5CCC5)C[C@H]4C3)nn12 1888844601 MUZNXDHIVYLFNY-OKILXGFUSA-N 326.404 1.127 0 40 EDAB Cc1ccoc1C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1 22283488 FWXSORYSYAZJAX-UHFFFAOYSA-N 343.431 1.864 0 40 EDAB CC(C)c1nn(CN(C)[C@@H]2CCS(=O)(=O)C2)c(=S)n1C1CC1 27170110 HPCGOBMBBKJKGB-GFCCVEGCSA-N 344.506 1.949 0 40 EDAB CS(=O)(=O)NCCCNC(=O)c1cc2cc(Cl)ccc2o1 31218543 MNOUJKKSZUJXED-UHFFFAOYSA-N 330.793 1.755 0 40 EDAB Cc1cnc(OC[C@@H]2CCCN(Cc3nnc4n3CCC4)C2)nc1 1776001017 UYCURZALHDPBMD-CQSZACIVSA-N 328.420 1.614 0 40 EDAB COc1ncccc1C(=O)NCc1nc(-c2ccnc(O)c2)no1 238849570 JDKLHGYMOWUWIQ-UHFFFAOYSA-N 327.300 1.171 0 40 EDAB CN1C[C@]2(CCN(C(=O)CCc3ccccc3F)C2)COCC1=O 2037985565 OAGZGQWEFYOWEG-SFHVURJKSA-N 334.391 1.466 0 40 EDAB O=C(NCc1ccccn1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4272673 PJCLRWHPSYTCPE-AWEZNQCLSA-N 328.347 1.825 0 40 EDAB COc1ccc(S(=O)(=O)NCCn2ccn3nccc23)cc1F 206746494 NOKKHARLLOINJV-UHFFFAOYSA-N 338.364 1.262 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1cn(C)cn1)c1cc2ccccc2o1 575621773 UEMXBQQATRSNAB-CYBMUJFWSA-N 348.428 1.748 0 40 EDAB COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(N)=O)ccc1O 16042915 WZMLIZQVNWKMNA-JEBQAFNWSA-N 334.416 1.554 0 40 EDAB biogenic O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(F)cc1 32263860 QDOHYAYVOOSHLU-UHFFFAOYSA-N 348.355 1.864 0 40 EDAB O=C(C1CC1)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 30763705 CSETUUNAXSPCOD-UHFFFAOYSA-N 340.309 1.202 0 40 EDAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCCCCC2)s1 28650111 CECWFLCFFDFZQV-UHFFFAOYSA-N 330.475 1.856 0 40 EDAB COc1cccc(-n2c(SCC(N)=O)nnc2-c2ccccn2)c1 1362503 YXYDOSRSQOUQAL-UHFFFAOYSA-N 341.396 1.915 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2COc3ccccc3O2)C1 40522947 BLZDZHUCUROTFA-IUODEOHRSA-N 328.372 1.361 0 40 EDAB Cc1ccccc1CN1CCCN(C(=O)C2=NN(C)C(=O)CC2)CC1 31765892 YBAFVCJRNFMGDZ-UHFFFAOYSA-N 342.443 1.638 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OCC)C(=O)C[C@@]1(C)O 4321888 VDLSNXQRYWSHGB-YYAJDYIMSA-N 348.395 1.853 0 40 EDAB Cc1cccc(O[C@@H](C)C(=O)NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 6860503 PGONHQPMNUAFCP-QEJZJMRPSA-N 328.368 1.745 0 40 EDAB COCC[C@@H](C)NC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 69873879 WPZHNLFPKYWNHW-CYBMUJFWSA-N 335.404 1.706 0 40 EDAB O=C(CSc1nnc(Cc2ccccc2F)o1)N1CCOCC1 67955627 FQTMCZRBRGOWSG-UHFFFAOYSA-N 337.376 1.750 0 40 EDAB CCN1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1 41443497 DKNGVAHRVYZEMR-UHFFFAOYSA-N 326.444 1.992 0 40 EDAB Cc1cnn(C[C@H]2CN(C[C@H](O)COc3ccccc3)CCO2)c1 69458775 XBZNPVBEGUJKHH-FUHWJXTLSA-N 331.416 1.332 0 40 EDAB CC[C@@H]1CN(CC(=O)N2CCc3ccccc32)CCN1CCOC 69842220 LBEBXNXWIHITHT-QGZVFWFLSA-N 331.460 1.618 0 40 EDAB C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)N2)C[C@@H](C)O1 15953351 LGJUCTFKIRPRHL-POXWSEBPSA-N 329.356 1.351 0 40 EDAB Cc1ccc(-c2cc(C(=O)NC[C@H](C)N3CCOCC3)n[nH]2)s1 29963973 BCRYCPYMBBZHSP-NSHDSACASA-N 334.445 1.897 0 40 EDAB CC1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 22198192 JXKWIINSAIDBMM-UHFFFAOYSA-N 325.434 1.395 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN2)c(Br)c1 53254540 KMUOARAENBUUJK-SNVBAGLBSA-N 333.251 1.788 0 40 EDAB CCOC(=O)CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 2722944 YFUCUFVRXARULM-UHFFFAOYSA-N 345.380 1.511 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 2708372 BEODLPKIKCSUJF-AWEZNQCLSA-N 346.364 1.054 0 40 EDAB Cc1nc2cc(F)cc(C(=O)N3CCn4c(C)nnc4C3)c2nc1C 69490274 OCINAVSLTHVLEB-UHFFFAOYSA-N 340.362 1.942 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 69969515 QVVRWKNGDNPCLF-PKOBYXMFSA-N 346.471 1.648 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCCN(c2cccnn2)CC1 69948824 LUPOWWJFIQWVBJ-INIZCTEOSA-N 340.383 1.355 0 40 EDAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 879241 DLVMQHLSUMRCDN-UHFFFAOYSA-N 348.380 1.820 0 40 EDAB CN(Cc1csc2ccccc12)C(=O)CC[C@@H]1NC(=O)NC1=O 46921521 XBOQOULVSQVGSX-LBPRGKRZSA-N 331.397 1.848 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCc3ccccc32)CC1 42960458 BFECJCKSYDKKJG-OAHLLOKOSA-N 337.445 1.351 0 40 EDAB CN(C)CCNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 3041255 OXISWCQYYBBCSG-UHFFFAOYSA-N 333.819 1.841 0 40 EDAB C[C@H](Sc1nncs1)C(=O)NCc1cccnc1-n1cccn1 43272295 KQQXBKNYZKMTIO-JTQLQIEISA-N 346.441 1.916 0 40 EDAB Cn1c(=O)n(CCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21 24997937 KEPPLEJUOFGFLH-UHFFFAOYSA-N 345.399 1.096 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 106833207 ZHFUFDHKYNKXLZ-IAGOWNOFSA-N 344.459 1.415 0 40 EDAB COc1ccc(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 12508955 ROIZIYGKIRXERW-UHFFFAOYSA-N 345.399 1.219 0 40 EDAB O=C(NCc1ccc(F)cc1)c1cccc(CN2C(=O)CNC2=O)c1 25433472 FPRHQMXVVPBQBC-UHFFFAOYSA-N 341.342 1.808 0 40 EDAB O=C(NCCCN1CCOCC1)c1cccc(N2CCCC2=O)c1 20212798 HORHIAYEWQPESQ-UHFFFAOYSA-N 331.416 1.266 0 40 EDAB COC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)CCC3)CC1 57484791 DNNBGDBWBQJDHS-UHFFFAOYSA-N 338.429 1.684 0 40 EDAB CC(=O)c1c(C)cc(C)c(CN2CCN(S(C)(=O)=O)CC2)c1C 24509610 MHRTXSMGBZHAPR-UHFFFAOYSA-N 338.473 1.892 0 40 EDAB COc1ccc(CN2C(=O)CO[C@H]3CN(Cc4ncc[nH]4)C[C@H]32)cc1 67897233 ZNVULDQXCYOZHK-CVEARBPZSA-N 342.399 1.030 0 40 EDAB biogenic,in-vitro Cc1noc(-c2ccc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)cc2)n1 44723993 IPHLTWISFJSNEN-NSHDSACASA-N 335.385 1.210 0 40 EDAB NS(=O)(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 44895661 KJMGGXBWXPNLDX-UHFFFAOYSA-N 344.746 1.079 0 40 EDAB COc1ccccc1CNS(=O)(=O)c1ccc(CNC(C)=O)cc1 21820421 LXOFOZXFBZWXLR-UHFFFAOYSA-N 348.424 1.810 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)Nc2cnc(-c3ccccc3)nc2)C1 44891378 QJPHFTMTXNFYST-CYBMUJFWSA-N 325.372 1.873 0 40 EDAB C[C@H](C(=O)NCc1ccc(F)cc1)n1cnc2c(N(C)C)ncnc21 58299122 JPMUSZXCFXPBAU-LLVKDONJSA-N 342.378 1.909 0 40 EDAB COCCCNC(=O)CN(C)C(=O)CCc1nc2ccccc2s1 58282106 IUVHCJUJGMXXFD-UHFFFAOYSA-N 349.456 1.840 0 40 EDAB O=C(CSc1nnnn1CC(F)(F)F)NCc1ccccc1F 58291197 JNPFOILACBDHIX-UHFFFAOYSA-N 349.313 1.783 0 40 EDAB Cc1nc(/C=C/C(=O)NCCC(=O)N2C[C@H](C)O[C@H](C)C2)cs1 58225993 DJYFGICLACBEDK-AHWSKYQCSA-N 337.445 1.607 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCNC(=O)c2ccco2)n1 44953249 MIKYEYWZCWTHBJ-GFCCVEGCSA-N 332.404 1.665 0 40 EDAB C[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1ccccn1 44949974 GNGXSAAWWCYQOC-CYBMUJFWSA-N 326.404 1.901 0 40 EDAB O=C(NC[C@@H]1CCCO1)N1CCC(c2nnc3ccccn23)CC1 58380268 GDNMWMNMRXTARM-AWEZNQCLSA-N 329.404 1.797 0 40 EDAB COc1cc(F)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC 27931817 YBOIBWFXQATZMX-UWVGGRQHSA-N 333.381 1.641 0 40 EDAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 36389771 RHANHFBNJGRXTR-KWCYVHTRSA-N 341.477 1.863 0 40 EDAB Cc1c(CC(=O)NCCc2c[nH]cn2)c(=O)oc2cc(O)ccc12 12663618 VGZFIJMKXBQGLY-UHFFFAOYSA-N 327.340 1.432 0 40 EDAB biogenic C[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16022291 FWNYGABLTFFVSY-DOHNZKJLSA-N 345.374 1.365 0 40 EDAB COc1ccc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)cc1 12775213 ISXOIOKGSIGHAG-UHFFFAOYSA-N 325.368 1.665 0 40 EDAB Cc1noc(C)c1Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 48290415 MHKVDXXNUFYELF-UHFFFAOYSA-N 337.401 1.286 0 40 EDAB Cc1cc(N2CCOCC2)ccc1NC(=O)[C@H]1CC(=O)N(C2CC2)C1 48249096 CMSJCYMATTXEHC-AWEZNQCLSA-N 343.427 1.781 0 40 EDAB Cc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)NC(C)C)CC2)c1 48332993 XTCHCYLDKUPXMW-UHFFFAOYSA-N 341.433 1.125 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)NC[C@H](O)c1ccccc1 12896637 JZMYXRDVDGJEQX-KRWDZBQOSA-N 337.379 1.636 0 40 EDAB biogenic CNS(=O)(=O)c1ccc(NCCCc2nc3ccccc3[nH]2)nc1 80970197 KWLDFHNRHLBGKU-UHFFFAOYSA-N 345.428 1.911 0 40 EDAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc[nH]c1=O 12977576 OTLRTMSKKBNZFT-UHFFFAOYSA-N 327.384 1.137 0 40 EDAB CC(=O)c1sc(NC(=O)CCC(=O)N2CCN(C)CC2)nc1C 27913436 HCRJVAJZBQSCJY-UHFFFAOYSA-N 338.433 1.147 0 40 EDAB C[C@H](SCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 68729715 BOQSHKZOHSOMSL-GXFFZTMASA-N 331.434 1.923 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 16401321 DCWCHNISHGFCBO-KRWDZBQOSA-N 342.307 1.658 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CCCN1Cc1nnsc1Cl 49332490 PDVFEHNMKWYAIV-ZETCQYMHSA-N 328.747 1.834 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Cn1c(C)csc1=O 39981748 RYEOTWTVPQKEDE-UHFFFAOYSA-N 334.397 1.996 0 40 EDAB O=C(NCCN1CCCCCC1)C1CCN(C(=O)NC2CC2)CC1 65413981 VLOFLCJGWARMAO-UHFFFAOYSA-N 336.480 1.563 0 40 EDAB CCO[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 70037510 IORQKNZPPVDIFO-HLLBOEOZSA-N 348.447 1.357 0 40 EDAB CCC[C@H](C)N1C[C@H](C(=O)Nc2cnn(CCN(C)C)c2)CC1=O 65611992 YKSZAOZXDVDFQR-UONOGXRCSA-N 335.452 1.420 0 40 EDAB Cc1noc(C)c1CN1CCN(C[C@@H](O)COc2ccccc2)CC1 65681294 KCTALIXHSZFFMU-QGZVFWFLSA-N 345.443 1.849 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@H]1CCCN(c3ccccn3)C1)C2 69511415 IYPFVFJHGRRUKZ-AWEZNQCLSA-N 326.404 1.240 0 40 EDAB CC(=O)NCCNC(=O)c1cc(Br)c2c(c1)OCCO2 69538914 XVBLFMVTWHZSTD-UHFFFAOYSA-N 343.177 1.086 0 40 EDAB CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 6790127 ULZKOAYYROTIOU-UHFFFAOYSA-N 344.392 1.884 0 40 EDAB O[C@H](CN1CCN(Cc2nc(C3CC3)no2)CC1)c1ccccc1 69628577 BUCJORWNWHLOAP-MRXNPFEDSA-N 328.416 1.798 0 40 EDAB CCc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)o1 69652879 NEXGXBRSYQRTBC-ZIAGYGMSSA-N 340.445 1.223 0 40 EDAB O=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1cc[n+]([O-])cc1 6989978 CSTZLGXRUIEANO-INIZCTEOSA-N 326.352 1.841 0 40 EDAB CC(=O)N1CCC(NC(=O)CN(C[C@@H](C)O)C2CCCCC2)CC1 69737175 OMRKDHPGBNHRLE-CQSZACIVSA-N 339.480 1.129 0 40 EDAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CC3)C2=O)cc1 7125522 UZODNSIPORRCKN-SFHVURJKSA-N 329.400 1.685 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2ccc(F)c(F)c2)C1 67557232 JGVHYIJHUBKCON-JTQLQIEISA-N 333.360 1.510 0 40 EDAB CN1CC[C@@](C)(CNC(=O)CSc2nc(O)c3ccccc3n2)C1 67758998 SFRGEMTZCHFCKI-KRWDZBQOSA-N 346.456 1.886 0 40 EDAB O=C(CN1C(=O)CSc2ccccc21)N[C@H]1CCN2CCCC[C@@H]12 60567996 ZXERSGCTVBKGJT-KBPBESRZSA-N 345.468 1.868 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN(CCO)Cc2ccccc2)C1 70927022 ZTCHMSUDSZPBDC-QGZVFWFLSA-N 348.443 1.283 0 40 EDAB CCCCc1c(C)nc2nc(SCc3n[nH]c(=O)[nH]3)nn2c1C 92870262 XTOBTHDDJXFPOK-UHFFFAOYSA-N 333.421 1.787 0 40 EDAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)n[nH]1 9013359 AZXABKWYJWEHTG-UHFFFAOYSA-N 347.379 1.560 0 40 EDAB O=C(C[C@@H](CN1CCCC1)C(=O)O)Nc1ccc2c(c1)OCCO2 71283240 NWBRSWJHXQVWHL-LBPRGKRZSA-N 334.372 1.583 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)COCc2ccc(C)cc2)CC1 28295266 XNTISLWWCRUVDX-QGZVFWFLSA-N 336.432 1.647 0 40 EDAB O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(-n2cnnn2)cc1 24629358 QXHIFJAJCKTOIC-UHFFFAOYSA-N 346.354 1.554 0 40 EDAB COc1ccc(C)cc1NC(=O)Cn1nc2n(c1=O)CCCCC2 9450502 ARAHLFQFIKSVGD-UHFFFAOYSA-N 330.388 1.727 0 40 EDAB Cc1ccc(C(=O)N2CCC(N3C[C@@H](C)O[C@H](C)C3)CC2)c(=O)[nH]1 75125631 DZSPBEKVJPDFFH-ZIAGYGMSSA-N 333.432 1.397 0 40 EDAB O=C(NCCN1CCN(C(=O)C2CCC2)CC1)Nc1cccnc1 75139279 SCGMTRVFFLEZRZ-UHFFFAOYSA-N 331.420 1.147 0 40 EDAB CCN(CC)CCN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 96998389 RYNHIRHMKGUQEW-GOSISDBHSA-N 347.415 1.610 0 40 EDAB Cc1noc(CCCNC(=O)N[C@@H]2CCN(c3ccccc3)C2)n1 72270214 JPOARZCKDIIRNU-CQSZACIVSA-N 329.404 1.889 0 40 EDAB O=C(CCOc1ccccc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269105 ZJVCFKALEFBDJJ-HOTGVXAUSA-N 336.407 1.652 0 40 EDAB O=C(Cc1cccnc1)NCc1ccccc1CN1CC[C@@H](O)C1 97081785 NOPHUJOJAGDNNK-GOSISDBHSA-N 325.412 1.507 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)nc1)C1CC1 97082749 ZYVFYBKDLSCGKY-NSHDSACASA-N 337.367 1.719 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CCCN(c3cnccn3)C2)no1 84280764 VVDLXGKWJVQZPA-ZIAGYGMSSA-N 342.403 1.748 0 40 EDAB O=C1NC[C@H](C(=O)NCc2ccc(COc3ccccc3)cc2)N1 89845800 JOOQKIPSFHIACE-MRXNPFEDSA-N 325.368 1.563 0 40 EDAB O=S(=O)(CCNC1CCC(C(F)(F)F)CC1)N1CCOCC1 97145922 VGWUXUXGXPRLQK-UHFFFAOYSA-N 344.399 1.359 0 40 EDAB Cn1nc2c(cc1=O)CN(Cc1nc(-c3cccs3)no1)CC2 72302304 WTWFYTDBWDDDME-UHFFFAOYSA-N 329.385 1.450 0 40 EDAB COC[C@@H](O)CNC(=O)N[C@@H](C)Cc1ccccc1Br 89904200 DHGRRXYYJZWWLT-JQWIXIFHSA-N 345.237 1.687 0 40 EDAB O=C(c1cn2cccnc2n1)N1CCCN(Cc2cscn2)CC1 72301211 UEQVGWSWDFXQDS-UHFFFAOYSA-N 342.428 1.534 0 40 EDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc2c1OCCO2 72300570 OIJJZDOCQZTIOV-OCCSQVGLSA-N 340.445 1.217 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)c1ccc(OCc2nccn2C)cc1 89938532 SJDVTXMGYGQFDQ-CQSZACIVSA-N 328.416 1.775 0 40 EDAB C[C@@H]1CN(C[C@H](O)Cn2ccnc2C(=O)c2ccccc2)C[C@@H](C)O1 97375857 MFGZTQKNYOFAJU-INMHGKMJSA-N 343.427 1.584 0 40 EDAB C=CC(=O)NCCNC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 84631054 SVJMSDVURUFZLC-UHFFFAOYSA-N 345.378 1.562 0 40 EDAB c1cn2c(n1)[C@@H](CNCc1cnc(N3CCOCC3)nc1)CCC2 84613348 BLOHNAYOWPQGAJ-OAHLLOKOSA-N 328.420 1.177 0 40 EDAB C[C@@H]1C[C@@H](Nc2nc3c(cnn3C)c(=O)[nH]2)C(=O)N1c1ccccc1 76063743 ZDCDAIIRDMCXOL-ZWNOBZJWSA-N 338.371 1.263 0 40 EDAB O[C@H](COc1ccccc1)Cn1cc(I)cn1 95438739 OGTPDSHFSYPZFP-NSHDSACASA-N 344.152 1.928 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)CCN1CCCC1 95410337 DQISEIFLDUBSHD-KGLIPLIRSA-N 334.468 1.849 0 40 EDAB Cc1cnc(C(=O)NCc2nc3ncc(Br)cc3[nH]2)cn1 76042244 NZXGSQFMSRTCMM-UHFFFAOYSA-N 347.176 1.749 0 40 EDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Cc1cn3ccccc3n1)CC2 95400592 QHHWKUBBZSYIHR-HZPDHXFCSA-N 343.427 1.655 0 40 EDAB CCCC[C@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)C(N)=O 84742906 BJETUBNYSWMDMM-ZJUUUORDSA-N 333.358 1.537 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)C[C@@H]1N1CCOCC1 84735771 WWRLINJXEZDVPK-NXHRZFHOSA-N 344.455 1.807 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cn1 78480917 QDPKABHBSAWECX-QMMMGPOBSA-N 333.207 1.607 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H](C)Oc2cc(F)ccc21 74004854 SVIWLRVWLUMPOH-LLVKDONJSA-N 344.408 1.611 0 40 EDAB Cc1nc(C)c([C@@H](C)NC(=O)CN(C)c2ncnc3[nH]cnc23)s1 95954403 GOAOKVYTKMOPHF-SECBINFHSA-N 345.432 1.740 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H]1CCS(=O)(=O)C1 95958707 CNCKIXSXAJEYDH-GDBMZVCRSA-N 348.424 1.254 0 40 EDAB CC(=O)N1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1 74860976 PILNFWZYWQHDTK-UHFFFAOYSA-N 330.837 1.877 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@H]1C2 306129090 HUCWTQJRKZOIOY-HUUCEWRRSA-N 340.431 1.116 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 409303295 IBFKGMSGUGDESQ-LDDOYCOJSA-N 327.336 1.058 0 40 EDAB Cc1c(C(=O)N[C@H]2CC3CCC2CC3)cnn1-c1ccc(O)nn1 554357082 CAECICJJCLAWNT-YIZWMMSDSA-N 327.388 1.985 0 40 EDAB CS(=O)(=O)Nc1ccc(Cc2noc(CCC(=O)O)n2)cc1 78400897 LPMNTVKAYLIRTF-UHFFFAOYSA-N 325.346 1.049 0 40 EDAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 408596315 SARCCQRGOJSHAD-GFCCVEGCSA-N 343.449 1.874 0 40 EDAB Cc1nnc(-c2cccc(C(=O)NC[C@@H](C)N3CCOC[C@@H]3C)c2)o1 74369703 HGBBTRODMQLHLW-OLZOCXBDSA-N 344.415 1.884 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)c2ccccn2)C1 72369559 WTNVDAVIQIHREQ-NSHDSACASA-N 334.401 1.228 0 40 EDAB CCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(C)c1)NC(=O)N2 38671260 VLXHDPVOENDSPY-ZDUSSCGKSA-N 328.372 1.870 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccc(CN(C)C)cc2)CC1 1535615636 AYWWQUNLPCFQDW-CJNGLKHVSA-N 329.444 1.783 0 40 EDAB O=C(NCCCc1nnc2ccccn12)c1ccc(-n2cnnn2)cc1 72406233 QQRJYXQKEIVOOM-UHFFFAOYSA-N 348.370 1.068 0 40 EDAB COC(=O)c1ccccc1NC(=O)CCc1c(C)nc(C)[nH]c1=O 32841380 NOLAGEAGRBSAOE-UHFFFAOYSA-N 329.356 1.745 0 40 EDAB Cc1cc(Br)ccc1NC(=O)C(=O)NCCN(C)C 73743128 QUZCPHRIYAVHEP-UHFFFAOYSA-N 328.210 1.374 0 40 EDAB Cc1ccc(O)c(NC(=O)CCc2c(C)nc3ncnn3c2O)c1 36575492 OHMXSSTYVCFPIG-UHFFFAOYSA-N 327.344 1.724 0 40 EDAB O=C(CN1CCC[C@@H]1c1cncc(-n2ccnc2)n1)N1CCCC1 72378731 VGRLAENCVRSCIU-OAHLLOKOSA-N 326.404 1.422 0 40 EDAB Cn1nc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)ccc1=O 49520839 QSNYGXMRVCKHJA-UHFFFAOYSA-N 345.374 1.398 0 40 EDAB CCN(Cc1noc(CCC(=O)O)n1)S(=O)(=O)c1ccccc1 78400947 QXGXTFKCWAKZFK-UHFFFAOYSA-N 339.373 1.298 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(C[C@@H](O)c2ccco2)CC1 85436750 SGJPPDTWXWVIQX-NVXWUHKLSA-N 344.411 1.925 0 40 EDAB Cn1c(CNS(=O)(=O)CCc2cccs2)nnc1C1CCC1 195407707 SKIJFWZTVLMEKB-UHFFFAOYSA-N 340.474 1.806 0 40 EDAB CC(=O)N1CCCN(CC(=O)NCC(F)(F)F)c2ccccc21 81551107 IYYGVFZWPLSWAQ-UHFFFAOYSA-N 329.322 1.928 0 40 EDAB Cn1nnn(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1=O 75163118 LOOHIIGUCFUISR-UHFFFAOYSA-N 335.323 1.965 0 40 EDAB N[C@@]12CCC[C@@H]1CN(C(=O)c1cccn(CC(F)(F)F)c1=O)C2 1580158602 UOOUJEJIEMCMFM-QMTHXVAHSA-N 329.322 1.364 0 40 EDAB CC1CCN(c2ccc(C(=O)NCC(=O)N3CCCC3)cn2)CC1 96403511 HIWRGKOUZQOKLU-UHFFFAOYSA-N 330.432 1.670 0 40 EDAB Cc1cc(CN2CCOC[C@@]3(CC[C@H](Cn4cncn4)O3)C2)oc1C 96160573 KMMAJRXHWLNABL-SJLPKXTDSA-N 346.431 1.938 0 40 EDAB c1ccc(-n2nnnc2CN2CCO[C@H](c3nccs3)C2)cc1 97199706 RIHLJYFDWVRUEQ-ZDUSSCGKSA-N 328.401 1.692 0 40 EDAB Cc1ccsc1C(=O)N1CCCn2c(nc(CN(C)C)cc2=O)C1 96197544 IKWCDJJCVCHZFI-UHFFFAOYSA-N 346.456 1.721 0 40 EDAB Cc1cnn(CC(=O)NC[C@H](O)c2ccc(OC(F)F)cc2)c1 96419986 ITPQJOLHDZTZKT-ZDUSSCGKSA-N 325.315 1.643 0 40 EDAB CCN(CC)c1ncnc2c1CCN(C(=O)Cc1ccccn1)CC2 96255820 OQAQLTKJSFVEAG-UHFFFAOYSA-N 339.443 1.888 0 40 EDAB Fc1cnc(N2CC[C@@H](N3CCOCC3)[C@@H]2Cc2cccnc2)nc1 96200868 QVQLASVLWFYRTH-SJORKVTESA-N 343.406 1.533 0 40 EDAB CCCS(=O)(=O)N1CCC[C@]2(C[C@H](Nc3nccs3)CO2)C1 96073832 QYWDESXAOMTENQ-JSGCOSHPSA-N 345.490 1.918 0 40 EDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccco3)CC2)O1 96036738 CQBQIULATDQBNA-CQSZACIVSA-N 330.388 1.112 0 40 EDAB COC[C@H]1c2nnn(C)c2CCN1C(=O)CCc1ccccc1C 96045266 NTIDYYXITGKRIQ-INIZCTEOSA-N 328.416 1.829 0 40 EDAB CCOC(=O)[C@]12CCCN(CC3CC3)C[C@H]1CN(c1ncccn1)C2 96056067 BTEHKVUHOKJDSE-LPHOPBHVSA-N 344.459 1.968 0 40 EDAB CCc1cnc(N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 96239288 XTKJGTYPGMTZAQ-QGZVFWFLSA-N 326.404 1.406 0 40 EDAB CC(=O)N1C[C@@H]2CN(C(=O)c3ccsc3)CCC[C@]2(C(=O)O)C1 96064248 YXWPHUGMUMVGFH-BBRMVZONSA-N 336.413 1.533 0 40 EDAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NC4CCCC4)O[C@@H]3C2)nn1 96042995 CBUCNZPTDZWLMJ-CWRNSKLLSA-N 330.432 1.828 0 40 EDAB Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)Cc2ccccn2)C3)n1 97953338 PRVKAUYUQMWCPU-RHSMWYFYSA-N 328.372 1.275 0 40 EDAB CSc1nn(C)c2ncn(C[C@@H](O)c3ccccc3C)c(=O)c12 95404037 MIVWGJAGMUUMLY-GFCCVEGCSA-N 330.413 1.894 0 40 EDAB CCC(=O)N1CC[C@]2(COCc3c(C)nc(N4CCOCC4)nc32)C1 96244594 KMMIHRCTHORQKD-GOSISDBHSA-N 346.431 1.032 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@@H]2[C@H](COc3ncccn3)CC[C@H]21 248101938 FAQNIWTXADGTDE-SQWLQELKSA-N 342.399 1.514 0 40 EDAB CN([C@@]1(CO)CCOC1)S(=O)(=O)c1csc2ccccc12 583651457 MMWUVUJVCWRYDA-CQSZACIVSA-N 327.427 1.673 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Cc2cncnc2)cc1 583621044 PYCCBGNQOJXPSN-HKUYNNGSSA-N 341.411 1.926 0 40 EDAB CCc1ccc([C@H]2CNCCN2C(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1 583635248 ZNFXNAOZAMMZRW-OWCLPIDISA-N 332.400 1.354 0 40 EDAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2cnc(C)cn2)ccn1 257295681 QZKWYJGCWAQOQK-KRWDZBQOSA-N 339.399 1.793 0 40 EDAB CCCn1cc(Cl)c(C(=O)N(C)[C@@H]2CCC[C@@H](OC)[C@@H]2O)n1 257243565 IHOFIZFXRNEKHO-YRGRVCCFSA-N 329.828 1.947 0 40 EDAB Cc1cc(CCC(=O)NCC(=O)O)nc([C@H]2CCCN(C(C)C)C2)n1 257272755 NDSVXULYHMUNIJ-AWEZNQCLSA-N 348.447 1.506 0 40 EDAB CNCC(=O)N1CCC[C@@]1(CCCc1cccnc1)C(=O)N(C)C 257323004 WIJIASYIUMCFPH-SFHVURJKSA-N 332.448 1.073 0 40 EDAB Cc1cc(C)nc(C[C@@H]2COCCN(C(=O)c3cnn(C)c3)C2)n1 257322237 WFDOOUHUJJLSNG-AWEZNQCLSA-N 329.404 1.158 0 40 EDAB Cc1noc(C)c1CC(=O)NCCn1ccc(-c2cnccn2)n1 253471367 BXBDLZCKDZHRKG-UHFFFAOYSA-N 326.360 1.304 0 40 EDAB Cc1cc(S(=O)(=O)NC2CC(N3CCOCC3)C2)ccc1F 585134941 PVCUPPCWROQSBZ-UHFFFAOYSA-N 328.409 1.276 0 40 EDAB CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C1CC1 585121024 CFVLIRUIOUWWKG-OAHLLOKOSA-N 349.406 1.129 0 40 EDAB COC(=O)[C@@H]1CN(Cc2cnc(N(C)C)n2C)c2ccc(F)cc2O1 585116831 JTBMEZAHZHGJEO-HNNXBMFYSA-N 348.378 1.566 0 40 EDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cccc(-c2cnco2)c1 585110706 DGDDTMTXLOLSSP-SFHVURJKSA-N 343.383 1.709 0 40 EDAB NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N1CCCC2(CC2)C1 585121327 MDNGYROBKZGDFI-AWEZNQCLSA-N 347.390 1.202 0 40 EDAB Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(Cc3ccco3)C1)CSC2 604419245 WRIFWUDAZVONSS-SNVBAGLBSA-N 346.412 1.747 0 40 EDAB CN(C1(C(=O)O)CCCC1)S(=O)(=O)c1ccc(C(=O)O)c(F)c1 1615587013 HZQOMOOLVSHROK-UHFFFAOYSA-N 345.348 1.542 0 40 EDAB Cc1csc(CNC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1 1615589574 YYFNULCJOIWGEE-MEBBXXQBSA-N 336.417 1.234 0 40 EDAB CN(CCNS(=O)(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccn1 1615586135 QMWGESIQDSFEIR-CVEARBPZSA-N 331.441 1.993 0 40 EDAB Cn1nc(C(=O)N2CCC[C@H](CC(N)=O)CC2)cc1C(F)(F)F 1615612292 DLACZDFEIJFCGQ-VIFPVBQESA-N 332.326 1.557 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H]1c1ccsc1 298726361 FODOYHCNUFXUAK-IPYPFGDCSA-N 335.473 1.997 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NCC[C@@H](O)c1ccoc1 90613237 UTOAKCQQGXIHFD-CQSZACIVSA-N 332.356 1.144 0 40 EDAB Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)s1 390830308 KCHXUXUFAMMECB-LLVKDONJSA-N 343.416 1.206 0 40 EDAB Cc1nc(C)n(CC(=O)N2CC[C@H](O)[C@H](Cc3ccccc3F)C2)n1 585277998 ZILNQDWYWAEFNP-WBVHZDCISA-N 346.406 1.486 0 40 EDAB CS(=O)(=O)NC[C@H]1CN(Cc2ccsc2)Cc2ccnn21 585111527 CRUVVYNOQAKAGS-ZDUSSCGKSA-N 326.447 1.051 0 40 EDAB Cc1nc(O)cc(C(=O)N2CC[C@](O)(COc3ccccc3)C2)n1 585275458 BDPIHPSAXNZEJJ-QGZVFWFLSA-N 329.356 1.147 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)CCc3ccno3)CCO2)c1 585277541 MWUUQUBLDYUJEP-IBGZPJMESA-N 344.411 1.748 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)Cn3ccnc3)CCO2)c1 585276597 QEQHGWKFWFOZAS-SFHVURJKSA-N 329.400 1.024 0 40 EDAB O=C1NCCCC[C@@H]1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 44968046 GLLPLFBQMFEZHM-LSDHHAIUSA-N 335.379 1.577 0 40 EDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCO2 53699656 LUWVXZBLQYGQRP-CYBMUJFWSA-N 325.386 1.338 0 40 EDAB COc1ccnc(N2CCN(C(=O)Cc3ccc(C)s3)CC2)n1 57254214 XSPVVAAFQKUZFS-UHFFFAOYSA-N 332.429 1.746 0 40 EDAB COc1ccc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)c(OC)c1 100018585 BUSCMEVMRSMUDE-HVOFVXBASA-N 331.324 1.075 0 40 EDAB COC(=O)c1ccc2c(S(=O)(=O)N3CCC[C@H]4C[C@@H]43)ncn2c1 1615001845 ALOYBGFOXQAPLC-GWCFXTLKSA-N 335.385 1.294 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 5234523 PBTKNYLVBXDIMG-VXGBXAGGSA-N 337.445 1.829 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)N(C)Cc1cccnc1 5262081 OSGFQAOPZIMFOQ-UHFFFAOYSA-N 327.384 1.869 0 40 EDAB CNP1(NC)=N[P@](NC)(N2CC2)=N[P@@](NC)(N2CC2)=N1 5996465 AWFLVMILNQNDCC-PMACEKPBSA-N 339.265 1.347 0 40 EDAB CC(C)(C)NC(=O)Cn1nc(-c2nccc3ccccc23)oc1=O 12154274 NSVFMTJORWLWEU-UHFFFAOYSA-N 326.356 1.966 0 40 EDAB COC(=O)[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1c1ccc(F)cc1 12157265 WYJUYOKLLCZRGJ-CABCVRRESA-N 346.362 1.223 0 40 EDAB CN(C)Cc1cc([C@H]2CCCN2C(=O)c2ccc(N)nc2)nn1C 19710079 JPUOSTLMZISDAJ-OAHLLOKOSA-N 328.420 1.436 0 40 EDAB COc1ccccc1C1(C(=O)N2CC[C@@H](N3CCOC3=O)C2)CC1 618257094 QHHFQEWRBOOOCR-CYBMUJFWSA-N 330.384 1.780 0 40 EDAB CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1ccc(C)cc1C 4107537 AMNJIMGQOQVQJM-AWEZNQCLSA-N 326.418 1.181 0 40 EDAB C[C@H](OC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(N)=O 4490373 HUNGQNHPFDOGRK-NSHDSACASA-N 348.380 1.518 0 40 EDAB C[C@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)N1CCCC1 32950710 ILVFTEADWPDHTL-NSHDSACASA-N 340.401 1.226 0 40 EDAB COc1ccnc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)n1 1776009406 ZLTWPFPCLLJNOW-UHFFFAOYSA-N 349.398 1.664 0 40 EDAB COc1cnc(O[C@@H]2CCN(c3ncnc4c3ccn4C)C2)nc1 2087143858 CUPPWCPOAUGUFA-LLVKDONJSA-N 326.360 1.425 0 40 EDAB C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 896056 HKODIGSRFALUTA-ZWGWPGHTSA-N 335.400 1.193 0 40 EDAB biogenic CCN1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)C1=O 4326343 ODILEUMYKBQEQN-UHFFFAOYSA-N 343.305 1.335 0 40 EDAB CCCCN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 4504509 RGAPEGPCUWJNPR-CYBMUJFWSA-N 339.413 1.845 0 40 EDAB Cn1cnnc1CN1CCC(COc2ccc(C3CC3)nn2)CC1 1775966321 YCDDTIFAORGIGC-UHFFFAOYSA-N 328.420 1.774 0 40 EDAB O=C1O[C@]2(CCCN(S(=O)(=O)c3cccnc3)C2)c2ccccc21 211113022 BJFZGNXYMWYNNU-KRWDZBQOSA-N 344.392 1.932 0 40 EDAB O=C1Nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)[C@@H](c2ccco2)N1 38488441 GKHDSOQDASDRMC-CYBMUJFWSA-N 338.323 1.402 0 40 EDAB COCCOc1cc(CNC(=O)[C@H]2C(=O)NC[C@H]2C(C)(C)C)ccn1 585149579 IGWMZAQKAKJBAL-HIFRSBDPSA-N 349.431 1.131 0 40 EDAB O=S(=O)(c1cccs1)N1CCN(C[C@@H](O)c2ccco2)CC1 27204700 ARFWJPBHKUWUQC-GFCCVEGCSA-N 342.442 1.381 0 40 EDAB CC(C)CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cccnc1 40090034 NGEPDLBCDTWMBO-ZDUSSCGKSA-N 327.450 1.643 0 40 EDAB Cc1[nH]ccc(=O)c1OCC(=O)N1CCN(c2ccccc2)CC1 40288055 AFAFECFGXZGGCE-UHFFFAOYSA-N 327.384 1.411 0 40 EDAB O=C(NC1CCN(CC(F)F)CC1)c1ccc(N2CCCC2)nn1 69422962 FHBBGDLDIKWURK-UHFFFAOYSA-N 339.390 1.536 0 40 EDAB Cn1nnc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)n1 558171 VLDQSFHWZWUUOR-UHFFFAOYSA-N 331.188 1.644 0 40 EDAB Cc1cnn(C[C@H]2CN(CC(=O)NCCc3cccs3)CCO2)c1 69486348 KIMIARNJQVNXIP-OAHLLOKOSA-N 348.472 1.313 0 40 EDAB COc1ccccc1CNC(=O)[C@@H](C)N1CCCN(C(C)=O)CC1 16444344 KGARBCZXQIQONB-CQSZACIVSA-N 333.432 1.254 0 40 EDAB CCCCOC(=O)CCN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 40461059 URLIBDUZWWFLSZ-LBPRGKRZSA-N 328.434 1.718 0 40 EDAB CCOc1ccc(CN2CCN(C(=O)c3ccc(O)nn3)CC2)cc1 28790934 LVCANUSHACSALC-UHFFFAOYSA-N 342.399 1.539 0 40 EDAB CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCOC1=O 69458617 YKTDNJCJKPHGJT-QZTJIDSGSA-N 332.444 1.679 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)C1 40501582 FVULLNFVIGHXDT-OAHLLOKOSA-N 338.477 1.176 0 40 EDAB CNCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 3457847 DAOVDIVTXXWJGB-UHFFFAOYSA-N 336.745 1.622 0 40 EDAB C[C@@H]1CN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 28842630 ZOWSRSGLEUFAKS-HZPDHXFCSA-N 347.459 1.961 0 40 EDAB CC(=O)N1CCCN(C(=O)NC[C@H]2COc3ccccc3O2)CC1 40520670 QXXLQWSUNNUXMI-AWEZNQCLSA-N 333.388 1.090 0 40 EDAB CC(C)CN1C[C@H](C(=O)NCc2ccnc(-n3cccn3)c2)CC1=O 40510788 IZHPKJYCIBENMG-OAHLLOKOSA-N 341.415 1.388 0 40 EDAB O=C(NCc1ccccc1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 4986746 LQEBVUSYEMWLJW-DLBZAZTESA-N 339.395 1.970 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1 29195071 DYTORSPQTGHTDX-ZDUSSCGKSA-N 349.412 1.495 0 40 EDAB CN(CC(=O)NCCCOc1ccccc1)c1ncnc2[nH]cnc12 45979821 GLWPNORENWQZKI-UHFFFAOYSA-N 340.387 1.374 0 40 EDAB CN(C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 7675875 GBCNCBUDKQUXFY-UHFFFAOYSA-N 337.335 1.743 0 40 EDAB Cc1cnc(N2CCC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)nc1 107228183 IXUULKUASZXHNM-PBHICJAKSA-N 327.388 1.782 0 40 EDAB O=C([C@@H]1CN(C(=O)C2CCCC2)c2ccccc2O1)N1CCOCC1 70721854 YNHKWQAEAHDRRN-KRWDZBQOSA-N 344.411 1.830 0 40 EDAB C[C@H](OC(=O)CN1CCCCCC1=O)C(=O)NCc1ccccc1 11875346 BVQWQPHRRZDUMV-AWEZNQCLSA-N 332.400 1.637 0 40 EDAB Cc1nc(CCNC(=O)[C@@H]2CCCN(c3cnccn3)C2)cs1 29782860 WWBZAJOWOOKCCX-CYBMUJFWSA-N 331.445 1.817 0 40 EDAB O=C(NCc1ccc(-n2ccnc2)nc1)N1CC[C@@H](N2CC=CC2)C1 101384598 MRHJTOWZMRHBDL-MRXNPFEDSA-N 338.415 1.423 0 40 EDAB CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 20904045 QVYWCRMXBAHTJI-UHFFFAOYSA-N 339.461 1.677 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)C1 41128684 UKHRTOJCBZLGAA-GFCCVEGCSA-N 332.791 1.532 0 40 EDAB COc1ccccc1OCC(=O)N[C@@H](C)C(=O)NCc1ccco1 41250107 PLVAZCIWPKGWPF-LBPRGKRZSA-N 332.356 1.488 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2Cn2cccn2)C1 32916827 JCIZZYCRUCTPAG-MRXNPFEDSA-N 341.415 1.338 0 40 EDAB CC1(C)S[C@@H]2[C@@H](NC(=O)c3ccccc3F)C(=O)N2[C@H]1C(=O)O 2786454 KMEXQIYEMOCEMV-OUJBWJOFSA-N 338.360 1.071 0 40 EDAB CCc1ncncc1C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 75146242 XHYCVUDVRLVRSY-UHFFFAOYSA-N 325.332 1.276 0 40 EDAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 33018809 OHZRWMFQASNLMG-ZDUSSCGKSA-N 327.340 1.633 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCCCc1ccccc1 103230835 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SBDKRCDISDRMHT-IRXDYDNUSA-N 346.471 1.960 0 40 EDAB COC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)OC)cc1 3151766 XMMUECBTSYKOHP-UHFFFAOYSA-N 342.402 1.792 0 40 EDAB C[C@H]1CN([C@H](C)CNCc2ccc(-n3cncn3)c(F)c2)C[C@@H](C)O1 106559844 APKFZNRRGGZIJA-KFWWJZLASA-N 347.438 1.994 0 40 EDAB C[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 34859000 CMMRAIGBHDTMDD-AWEZNQCLSA-N 343.406 1.615 0 40 EDAB Cc1cccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)c1 26781808 CZWYHWLZTBSBSS-QGZVFWFLSA-N 327.428 1.952 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 25784934 NRQALDOKOYDEEI-CHWSQXEVSA-N 327.450 1.726 0 40 EDAB O=C1NC2(CCCCCC2)C(=O)N1Cc1nnnn1-c1ccccc1 26433018 CSMIOVKCTTYOFO-UHFFFAOYSA-N 340.387 1.807 0 40 EDAB CCOC(=O)c1sc(NC(=O)CN2CCC(O)CC2)cc1C 10053375 LEOTXJTYYCPBTN-UHFFFAOYSA-N 326.418 1.628 0 40 EDAB CCCS(=O)(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 58282068 OJZNIFGWHBKVSI-CYBMUJFWSA-N 343.468 1.968 0 40 EDAB C[C@@H](NC(=O)CCc1nc(-c2nc[nH]n2)no1)c1ccc(F)cc1F 58281765 WTQGUFBABMIXFD-MRVPVSSYSA-N 348.313 1.943 0 40 EDAB COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(C)noc1C 58217357 MSCSPYVKUFDOGK-UHFFFAOYSA-N 338.385 1.655 0 40 EDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1cccnc1 44920341 YFRGGQLWCSFOAC-UHFFFAOYSA-N 339.399 1.552 0 40 EDAB CCCO[C@@H]1CCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1 58342795 ZTGYYHZJLBIPPI-LLVKDONJSA-N 332.447 1.427 0 40 EDAB CCOC(=O)c1c(NC(=O)CCNCCO)sc2c1CCCC2 2258599 DBXJMZBUCCYTSA-UHFFFAOYSA-N 340.445 1.714 0 40 EDAB CS(=O)(=O)c1ccc(-n2nnnc2CNc2cccc(F)c2)cc1 58440534 WDMSTNJDECNPST-UHFFFAOYSA-N 347.375 1.817 0 40 EDAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)C2)c(OC)c1 45241845 HLAJIJWCYMXWHD-MNOVXSKESA-N 327.402 1.316 0 40 EDAB CCCc1c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)[nH]c(C)c1C(C)=O 48228094 DJOQDIAMYBGANY-GFCCVEGCSA-N 340.445 1.737 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1 62391036 SHOYRBVUVYGQSN-NWDGAFQWSA-N 330.392 1.692 0 40 EDAB CN(C)CC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 48341081 ZOLSXNRDNNTTNA-UHFFFAOYSA-N 328.342 1.921 0 40 EDAB CCOC(=O)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 48326357 KVYBLZWFDJBGNX-SECBINFHSA-N 343.309 1.923 0 40 EDAB C[C@H](NCc1csc(N(C)C)n1)c1ccc(S(N)(=O)=O)cc1 91366560 SSDNVFPPHUXISN-JTQLQIEISA-N 340.474 1.707 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 12856518 JFPLZLVHTHUEMA-KBXCAEBGSA-N 332.400 1.764 0 40 EDAB COC(=O)c1cnc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)s1 12890313 RZPIASGFKBWUDT-UHFFFAOYSA-N 344.352 1.347 0 40 EDAB NC(=O)CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1 70039232 FJMGAYWUYOVCSI-UHFFFAOYSA-N 341.209 1.084 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCc2nnc(N(C)C)cc2C1 70011330 FQFGDRRINMAXEX-NSHDSACASA-N 342.447 1.581 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cccn1)N1CCc2sccc2C1 70039657 MAQVFDYEOAZQGX-OAHLLOKOSA-N 330.457 1.994 0 40 EDAB CN(C)C(=O)c1cccc(COC(=O)c2cc3c([nH]c2=O)CCC3)c1 61448824 ICUJUYKVLFUZNJ-UHFFFAOYSA-N 340.379 1.922 0 40 EDAB CCc1cc(Oc2ccc(S(=O)(=O)N(C)C)cc2)n2ncnc2n1 69559642 IBMRAUFAFXNLDM-UHFFFAOYSA-N 347.400 1.729 0 40 EDAB CCCCNC(=O)Cc1noc([C@H]2CCCN(C(=O)C3CC3)C2)n1 69697861 YDCBDWWHRPALAA-ZDUSSCGKSA-N 334.420 1.644 0 40 EDAB Cc1cccc2c(=O)n(CCCC(=O)NC[C@H]3CCOC3)cnc12 65394062 UMORQSDQYIOKLF-CQSZACIVSA-N 329.400 1.638 0 40 EDAB Cc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)N1CCc3ccccc31)CC2 69661246 XMJRQQGTFRZABQ-WFASDCNBSA-N 325.416 1.469 0 40 EDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@@H]1CCCO1 65410392 TXXIHTOQIPTDKU-LBPRGKRZSA-N 330.388 1.634 0 40 EDAB COCCN1CCCN(C(=O)N[C@H]2CCOc3ccccc32)CC1 65440628 XVADNPVKZRYNRE-INIZCTEOSA-N 333.432 1.874 0 40 EDAB CCN1C[C@H](C(=O)NCCNc2ncnc3sccc23)CC1=O 65405020 WXBLZYJZMAHQAH-SNVBAGLBSA-N 333.417 1.088 0 40 EDAB COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c1C 14184909 NQIXHRMGVAMJJN-LLVKDONJSA-N 335.404 1.825 0 40 EDAB CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 4503534 XTRJMVFTWZECAV-UHFFFAOYSA-N 346.836 1.501 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)OC)cc1 8880081 QEXWIIIUEBGECE-ZDUSSCGKSA-N 343.401 1.339 0 40 EDAB Cc1c(C)c2ccc(O[C@H](C)C(=O)NCCCO)c(C)c2oc1=O 6659000 CBRFIIBQONMLER-CYBMUJFWSA-N 333.384 1.984 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)NC(=O)COc2ccccc2C(N)=O)[C@@H]1C 6651247 UVWZQHSVYGJYPE-YRGRVCCFSA-N 347.415 1.815 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1nc(-c3ccccn3)no1)CC2 69807750 IXMRHKDZLCLYPD-LLVKDONJSA-N 325.376 1.390 0 40 EDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 8755727 HJXDQELYBVOGHR-ZYHUDNBSSA-N 342.392 1.441 0 40 EDAB NC(=O)c1cnc2n1CCN(C(=O)c1cc3c(s1)CCCCC3)C2 67694888 BBQPTSPECRPDOL-UHFFFAOYSA-N 344.440 1.968 0 40 EDAB O=C(NCCc1nc(-c2cccnc2)n[nH]1)c1cccc2c1OCC2 67696273 OERFEBYVCIJBOB-UHFFFAOYSA-N 335.367 1.774 0 40 EDAB O=C(NC1CC1)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 15894237 FLCFGVFZLXTFLR-LJCCNALRSA-N 338.407 1.290 0 40 EDAB biogenic CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)c2ccco2)c1=O 18210432 BEGKKMTZIHOGDW-LBPRGKRZSA-N 341.367 1.654 0 40 EDAB COc1ccc(CN2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC 8991020 KPEUHEPSDOSTDO-GWCFXTLKSA-N 342.442 1.353 0 40 EDAB CCOc1c(CN2CCCN(C(N)=O)CC2)c(C)nn1CC(C)C 92753949 JTQZKUGYCSPITI-UHFFFAOYSA-N 337.468 1.833 0 40 EDAB CCOCCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2 71196002 LIOWTIMNAKBZRW-UHFFFAOYSA-N 340.445 1.930 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 71827096 ABPDLGOSEOCRAI-AWEZNQCLSA-N 340.420 1.398 0 40 EDAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC[C@H](n2cncn2)C1 71847060 OVBKMVHZQHDTNC-ZBFHGGJFSA-N 339.399 1.495 0 40 EDAB COc1cccc2c1OC[C@@H](NC(=O)N1CCC(NC(C)=O)CC1)C2 71796328 YBVLNWRUPCALCG-HNNXBMFYSA-N 347.415 1.309 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2cccc(CS(C)(=O)=O)c2)cn1 71796951 HSVIASJRQKOVIS-INIZCTEOSA-N 347.440 1.942 0 40 EDAB CC(C)C(=O)N1CC[C@@H](NC(=O)N2CCC(n3ccnc3)CC2)C1 89775623 VXJLTZHJHJUQCX-CQSZACIVSA-N 333.436 1.487 0 40 EDAB O=C(NCCCN1CCN(c2ncccn2)CC1)NCCC1CCC1 89884841 KZTNGRRHNFYEHP-UHFFFAOYSA-N 346.479 1.478 0 40 EDAB Cc1nnc(CN2CCN(CCO[C@@H]3CCCC[C@@H]3C)CC2)n1C 75605788 KOAZTVPBQDHZCB-DOTOQJQBSA-N 335.496 1.836 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 72253532 TWOVOMVZCKREOI-MRXNPFEDSA-N 344.415 1.567 0 40 EDAB NC(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cccc2cccnc12 72271484 AVGDHIJVAROAHW-HNNXBMFYSA-N 341.415 1.696 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(CC(=O)N[C@@H](C)c3ccco3)CCO2)n1 72253450 GCTMUMUMUZSPRF-SWLSCSKDSA-N 347.419 1.066 0 40 EDAB O=C(CN1C(=O)C[C@]2(CCc3ccccc32)C1=O)N1CCCCC1 97080285 WVMFRJHOJCEHRP-IBGZPJMESA-N 326.396 1.642 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)Nc1ccn(CCc2ccncc2)n1 76070631 BRECWPFPZBGKHA-ZDUSSCGKSA-N 340.391 1.323 0 40 EDAB O=S(=O)(NCCCCn1ccnn1)c1c(F)cccc1Cl 97147258 LYPRENMGVINUHQ-UHFFFAOYSA-N 332.788 1.829 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCCn2ncnc21 84490121 APJAZPJGONQXAV-UHFFFAOYSA-N 336.373 1.038 0 40 EDAB O=C(NC[C@H]1CCCN(C(=O)CCc2ccccc2)C1)[C@H]1CCCN1 95435775 ZQSUFECGNMRBFQ-QZTJIDSGSA-N 343.471 1.726 0 40 EDAB COc1ccc(CCNC(=O)COc2ccc(F)nc2)cc1OC 95444391 BBEFZTDDXMSBTB-UHFFFAOYSA-N 334.347 1.976 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1nn(-c2ccccc2)c2c1CCC2 95415860 QRNPJLAPJVYULI-KSSFIOAISA-N 341.411 1.469 0 40 EDAB C[C@@H]1CN(C(=O)Nc2cccc(OC(F)F)c2)C[C@@H](C(N)=O)O1 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1.255 0 40 EDAB CNCC(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 195543378 QMSRKGNMACMXHA-UHFFFAOYSA-N 336.399 1.741 0 40 EDAB CCS(=O)(=O)c1ccccc1N1CCC(Cn2cncn2)CC1 225524089 YPKCGHMEYPLVJR-UHFFFAOYSA-N 334.445 1.988 0 40 EDAB O=C(Cc1ccc(-c2nn3cnnc3s2)cc1)N1CCOCC1 41126904 JNEHHPIGLXTXMG-UHFFFAOYSA-N 329.385 1.254 0 40 EDAB CCN1CCN([C@H](C)CNS(=O)(=O)c2cccc(C)c2)CC1 195576922 IKPOWJCTMKDXBA-OAHLLOKOSA-N 325.478 1.299 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn2C1 96188909 PUQGYZWOSONTIM-GFCCVEGCSA-N 329.356 1.530 0 40 EDAB C[C@H](CN1CCOCC1)OC(=O)c1cn(C)nc1-c1ccccc1 96502346 YCRTWQQPDYKXQH-CQSZACIVSA-N 329.400 1.965 0 40 EDAB CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc3c(c2)OCCCO3)N(C)C1 577876647 ZWKKFIDTUJHEJR-GJZGRUSLSA-N 334.416 1.639 0 40 EDAB C[C@@H](NS(=O)(=O)N1CCC[C@H](C(=O)O)C1)c1cccc(F)c1F 582357783 OORXVVCFYPSLJG-ZJUUUORDSA-N 348.371 1.657 0 40 EDAB O=C1NC2(CCN(C(=O)[C@@H]3CCOC3)CC2)C[C@@H]1c1ccncc1 96199574 ATMZBXMERACDSR-HUUCEWRRSA-N 329.400 1.083 0 40 EDAB 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EDAB C[C@@H](c1cccnc1)N1CCN(CC(=O)Nc2nncs2)CC1 96424314 XDJLAQVJNXPZSG-LBPRGKRZSA-N 332.433 1.250 0 40 EDAB C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 95563599 TXGDHOVGNMTCSP-AWEZNQCLSA-N 334.372 1.839 0 40 EDAB CC(C)CS(=O)(=O)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 96042294 MOPFHIPQZVRWDE-OFQRWUPVSA-N 340.445 1.678 0 40 EDAB CCOCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181757 NFEZEDFPCCOGAF-JKSUJKDBSA-N 338.379 1.267 0 40 EDAB CC(C)c1ccccc1NC(=O)N(C)C[C@H](O)CN1CCN(C)CC1 96424062 CPDHKVJWVOUNDW-INIZCTEOSA-N 348.491 1.882 0 40 EDAB CN(Cc1cncnc1)[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12 96186018 VRWXGUIKOHJLGG-QRVBRYPASA-N 339.443 1.735 0 40 EDAB COc1cc(N2CC3(C[C@@H](Oc4cccnc4)CCO3)C2)ncn1 247921421 XQYFSPUACNAPJM-ZDUSSCGKSA-N 328.372 1.697 0 40 EDAB COC[C@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cncn21 248006063 AQMLIDKEEIGRNF-CYBMUJFWSA-N 325.372 1.613 0 40 EDAB COC(=O)/C=C/c1ccc(OCCN(C)[C@H]2CCN(C)C2=O)cc1 584908644 YFCAEBFQMNMWSJ-FSNWXROXSA-N 332.400 1.414 0 40 EDAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3cc(O)ncn3)nc21 252478077 ACLBZBPVVXCQBL-SSDOTTSWSA-N 334.357 1.484 0 40 EDAB COCc1c(C(=O)N2CCO[C@H](c3cc(C)nc(C)n3)C2)noc1C 257343775 ZUJCHNBLYNYVCI-HNNXBMFYSA-N 346.387 1.750 0 40 EDAB CC(C)n1nccc1-c1cnc(C[C@H]2CCN(S(C)(=O)=O)C2)cn1 257274197 NJYOWGICSPULRU-CYBMUJFWSA-N 349.460 1.745 0 40 EDAB Cn1c(SCC2CN(S(C)(=O)=O)C2)nnc1-c1cccs1 585119036 NJYAPDWZTLPTEY-UHFFFAOYSA-N 344.487 1.527 0 40 EDAB O=C(NCC[C@@]12CCCC[C@@H]1c1c(O)nc(O)nc1O2)c1ncc[nH]1 257214867 CNUJQXHWAPDGCP-ABKXIKBNSA-N 345.359 1.220 0 40 EDAB CC(C)c1cc(C(=O)N2CCC[C@@](O)(CN3CCCC3)CC2)[nH]n1 257227209 FOCXNAWMVRRGQP-SFHVURJKSA-N 334.464 1.986 0 40 EDAB Cc1nc2ccccc2n1CC(=O)N1CCOC[C@H]1c1ccn[nH]1 257302520 SDEZNYOQUILGPX-INIZCTEOSA-N 325.372 1.668 0 40 EDAB Cc1cn(C)c([C@@H]2CCCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 257295559 QYVVQYJZYAVZOG-CQSZACIVSA-N 340.493 1.332 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1c1cnn(C)c1 585655668 XPXRZDMAUIBECG-GJZGRUSLSA-N 343.383 1.651 0 40 EDAB COc1nccn2c(CNC(=O)c3cc(-c4ccccc4)n[nH]3)nnc12 253471300 BSOOKSAQRFBWLB-UHFFFAOYSA-N 349.354 1.453 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2CCC[C@](O)(C3CC3)C2)c1 595752166 SXBWWZBTHOQAAU-GOSISDBHSA-N 332.400 1.649 0 40 EDAB CC1(C)CCN(C(=O)c2cccc(-c3nc(=O)o[nH]3)c2)CC[S@]1=O 597740727 UGQVNGIVUFVVRQ-XMMPIXPASA-N 349.412 1.403 0 40 EDAB Cc1nn(CCNC(=O)c2cccn(C)c2=O)c(C)c1-c1ccco1 575606084 AQUVNGKEYQXXQI-UHFFFAOYSA-N 340.383 1.889 0 40 EDAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 575426557 VRLVDDDGLGNUQK-CQSZACIVSA-N 347.458 1.283 0 40 EDAB CC(=O)N1CCC[C@]1(CO)CC(=O)N1CCC(C(F)(F)F)CC1 585280809 PGOXQZOPOQNQNJ-CQSZACIVSA-N 336.354 1.551 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 585108782 DALPUIASXXXJPM-JYJNAYRXSA-N 328.372 1.394 0 40 EDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1)[C@@H]2C 585097355 JDKMCNGRZFFJRU-SNVBAGLBSA-N 340.380 1.329 0 40 EDAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc2nc(Cl)ccc2s1 585142153 QCUCTWYSJRHJJS-SSDOTTSWSA-N 347.849 1.753 0 40 EDAB 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CC(C)(C)OC(=O)N1CCC2(CC1)[C@H](C(=O)O)CCS2(=O)=O 91302849 MDKMSKUZSXKMOO-JTQLQIEISA-N 333.406 1.275 0 40 EDAB CS(=O)(=O)N1CCC[C@H](Cn2nnnc2/C=C/c2ccccc2)C1 95425995 SXCFHTICUZGODU-FEAKQIBJSA-N 347.444 1.515 0 40 EDAB COCC(=O)N1CCN(C2=NN=C(c3cccs3)CS2)CC1 36709948 GGMHCRGPVGXQQS-UHFFFAOYSA-N 338.458 1.346 0 40 EDAB Cc1nc(C)c(CCNS(=O)(=O)C[C@@]2(C)COCCO2)s1 1615613255 HCNUKLLSSACVEG-CYBMUJFWSA-N 334.463 1.027 0 40 EDAB COc1cc([C@@H](C)NC(=O)c2ccnc(C)n2)ccc1S(C)(=O)=O 1615616156 XFRXTAUPDITUNG-SNVBAGLBSA-N 349.412 1.688 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@H](O)C(=O)O)CC1 1600426514 MABOJLSOMSZSAT-ZDUSSCGKSA-N 347.820 1.495 0 40 EDAB COCCN1C(=O)CC2(CCN(C(=O)NC(C)C)CC2)n2nccc21 1772596227 YVCYVYBUXPSLMW-UHFFFAOYSA-N 349.435 1.175 0 40 EDAB COc1ccc2c(c1)OC[C@@H]([C@@]1(O)C(=O)Nc3ccccc31)C2=O 5016103 KKTMNJKONDCQDS-FZKQIMNGSA-N 325.320 1.726 0 40 EDAB CCCNC(=O)NC(=O)CSc1nnnn1-c1ccc(C)cc1C 5414761 YHSGBSSOZWMWTQ-UHFFFAOYSA-N 348.432 1.607 0 40 EDAB COc1cccc(-c2ocnc2C(=O)N2CCC[C@@H](C(N)=O)C2)c1 12144662 GJYPDXYNRXGMSC-GFCCVEGCSA-N 329.356 1.688 0 40 EDAB COc1ccc(-c2nc3n(c2NC[C@H]2CCCO2)CCNC3)cc1O 12221404 XQKKPSGRZPLHGZ-CYBMUJFWSA-N 344.415 1.958 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1 15421419 BXNBLYSWZQFYQH-UHFFFAOYSA-N 347.396 1.805 0 40 EDAB Cc1cc(C(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)on1 17992949 SRTIDHXOUGLOKM-UHFFFAOYSA-N 339.311 1.235 0 40 EDAB CC(C)(C)CC(=O)NCCn1nc([C@H]2CCNC2)c2nccnc21 19082788 WOZJBTUKULUYSW-LBPRGKRZSA-N 330.436 1.456 0 40 EDAB O=C1CCN(C(=O)c2cnccn2)CCN1Cc1cccc(F)c1 19293871 KVENSHXUMPQSSC-UHFFFAOYSA-N 328.347 1.490 0 40 EDAB CCn1nccc1C(=O)N1CCC(CC(=O)N2CCOCC2)CC1 19745327 DCMUIPSJSZKALQ-UHFFFAOYSA-N 334.420 1.004 0 40 EDAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2ccccc2)C3)C1 19752319 HMBKYHWRTOEBEZ-OAHLLOKOSA-N 325.416 1.743 0 40 EDAB CS(=O)(=O)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888843684 SGBLCQTZGUPGIW-UWVGGRQHSA-N 335.351 1.428 0 40 EDAB COc1ncccc1CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 29957550 ULUTUWARXTWABL-CQSZACIVSA-N 327.388 1.413 0 40 EDAB CN(C(=O)c1cc(Br)ccc1O)[C@@H]1CCS(=O)(=O)C1 11639424 NTQKYHANGOQIDI-SECBINFHSA-N 348.218 1.414 0 40 EDAB COc1ccc2cc(C(=O)NCc3nnc4c(O)nccn34)[nH]c2c1 240068085 SHVIPJQYBVARKB-UHFFFAOYSA-N 338.327 1.250 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccccc1OC 4570657 DVKIMKSMQJFPKM-CYBMUJFWSA-N 343.335 1.824 0 40 EDAB O=C(NCc1nnc(SCC(=O)N2CCCC2)o1)c1ccccc1 5107227 APMSGTCDQCMQIZ-UHFFFAOYSA-N 346.412 1.714 0 40 EDAB CCn1nnc2c(NCCc3ccc(OC)c(OC)c3)ncnc21 5250512 IUWCXWJGCCSZCN-UHFFFAOYSA-N 328.376 1.913 0 40 EDAB O=C(NCCNC(=O)C(F)(F)F)c1ccc(NC(=O)C2CC2)cc1 13854758 PKKLRFGOVNOZNG-UHFFFAOYSA-N 343.305 1.443 0 40 EDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)CC2CCOCC2)CC1 2055772252 NHMWPRBLHVNTAP-UHFFFAOYSA-N 348.447 1.106 0 40 EDAB Cc1nc(C(=O)N2CC[C@H]3OC[C@@H](C(=O)N(C)C)C[C@H]3C2)cs1 2055734506 DIOYSQXSSBEENZ-SGMGOOAPSA-N 337.445 1.407 0 40 EDAB Cn1ncc2c(N3C[C@@H]4CN(c5ncccc5F)C[C@H]4C3)ncnc21 2086866207 RMRUJEAUAUNKRQ-VXGBXAGGSA-N 339.378 1.470 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1cnc(N(C)C)nc1N(C)C 206731903 SSQXTCSBKFTTRZ-UHFFFAOYSA-N 340.409 1.014 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CC[C@H](Oc2ccncn2)C1 575611545 ZXZROBAYGDIZHE-AWEZNQCLSA-N 336.355 1.351 0 40 EDAB COc1ccc(NC(=O)NCc2nc(OC)nc(N(C)C)n2)c(C)c1 575607992 RSPOKIAMNRDNJG-UHFFFAOYSA-N 346.391 1.585 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NCC[C@@H](O)c1ccco1 77112312 TUUHKACMAZKEEU-CYBMUJFWSA-N 332.356 1.144 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2)nc1 40487769 LWUQYJPONRCEFF-GFCCVEGCSA-N 337.449 1.410 0 40 EDAB Cc1nc(CCNC(=O)CN2C(=O)CCOc3ccccc32)cs1 40489822 NWOBPLZRUIUBQL-UHFFFAOYSA-N 345.424 1.926 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCc2c(ncn2C)C1 69486463 FQCCTUVACPMICX-QWHCGFSZSA-N 330.436 1.973 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCN(Cc3ccccn3)CC2)n1 40513991 XDOMSXXLMHAJMS-UHFFFAOYSA-N 343.431 1.865 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@H]2CCCC[C@@H]21 40554305 XSFLNSIJAHMQOI-KBPBESRZSA-N 339.413 1.790 0 40 EDAB C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)Cc1ccccc1Cl 40528448 SXCRRUGWMAKDII-WCQYABFASA-N 345.848 1.939 0 40 EDAB COc1ccc(S(=O)(=O)NCc2cn3ccccc3n2)cc1OC 2961034 LVKGECIIJDPSBL-UHFFFAOYSA-N 347.396 1.830 0 40 EDAB O=C(NCc1cnn(-c2ccccc2)c1)NC[C@@H]1CCS(=O)(=O)C1 45863346 RFBVVZOTPLDPNJ-ZDUSSCGKSA-N 348.428 1.106 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1CCC(=O)NC1 89522345 DYDUYSMAQHJIQB-CQSZACIVSA-N 326.400 1.632 0 40 EDAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(-n2cnnn2)cc1 7989270 ZNMYOVSCHWUANS-UHFFFAOYSA-N 349.306 1.073 0 40 EDAB CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4OC)C(=O)[C@H]13)O2 102094870 RLIPVWRVUCZGPJ-JTOWHCCKSA-N 329.352 1.545 0 40 EDAB O=C(NC[C@H]1COc2ccccc2C1)c1n[nH]c(=O)c2ccccc12 21407426 SEQCIQXPRULKEW-LBPRGKRZSA-N 335.363 1.904 0 40 EDAB COc1ccccc1CN(C)C(=O)Cc1nc2nc(C)cc(C)n2n1 32921972 LVAJEKGOIBCEJY-UHFFFAOYSA-N 339.399 1.951 0 40 EDAB CCS(=O)(=O)N1CCN([C@H](C(=O)OC)c2ccc(F)cc2)CC1 69415428 ZQPFKEUPEJIGHX-AWEZNQCLSA-N 344.408 1.007 0 40 EDAB O=C(c1cnc2sccn2c1=O)N1CCC[C@@H](n2cccn2)C1 69418422 WTOYPMHLVXILLB-LLVKDONJSA-N 329.385 1.430 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@H]2c2ccccc2)C1=O 53081282 VDBLLEVPHCSURL-RDTXWAMCSA-N 327.384 1.681 0 40 EDAB C[C@@H](CNC(=O)[C@H]1CCCN(c2ncccn2)C1)Cn1cccn1 53545018 VFSBVQLZGCMTSG-GJZGRUSLSA-N 328.420 1.342 0 40 EDAB COc1ccc(NC(=O)N[C@H]2CCCc3c2cnn3CCO)cn1 47125406 UIEYJLIXHACKEC-ZDUSSCGKSA-N 331.376 1.478 0 40 EDAB O=C(NCCNc1ncccn1)[C@H]1COc2ccc(Cl)cc2C1 47106071 XLFOLUQGLVMBFP-GFCCVEGCSA-N 332.791 1.909 0 40 EDAB C[C@H]1CN(C(=O)c2nc(N3CCOCC3)ncc2Cl)C[C@H](C)O1 42127429 SMSFHNLVVGMRSP-QWRGUYRKSA-N 340.811 1.216 0 40 EDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)Nc1cccnc1 42310141 VSSYOQZHWPFRFT-UHFFFAOYSA-N 334.401 1.323 0 40 EDAB CCOc1ccc(C(=O)NCC(=O)Nc2cccnc2OC)cc1 47553871 WJQBFPKSSJIGCQ-UHFFFAOYSA-N 329.356 1.857 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3ncccc3Cl)CC2)c(=O)[nH]1 75122365 CYPYQJWGCRJFFV-UHFFFAOYSA-N 332.791 1.694 0 40 EDAB COCCN(CCOC)Cc1nc2ncccn2c1Br 12564180 LWJCLLIZGZHWJU-UHFFFAOYSA-N 343.225 1.587 0 40 EDAB O=C(NCCS(=O)(=O)Cc1ccccc1)NCc1ccccn1 42880910 NRJJMNINSFRSOV-UHFFFAOYSA-N 333.413 1.496 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)NC2(CCCC2)C1=O 24094638 ASVAROGWRNLJGO-AWEZNQCLSA-N 332.400 1.908 0 40 EDAB C[C@@H]1COCCN1C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 106051761 VUXSGVYZJWRCCJ-VXGBXAGGSA-N 338.429 1.258 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1 34556749 HTMSBDOORJXZBE-UHFFFAOYSA-N 337.383 1.929 0 40 EDAB Cn1cc(C(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)cn1 25242372 HASMYNHWPRVKFM-UHFFFAOYSA-N 338.367 1.765 0 40 EDAB COc1ccc([C@H](CC(=O)N2C[C@H](C)O[C@@H](C)C2)NC(C)=O)cc1 25374934 JQDHINZOPYUQLZ-DCGLDWPTSA-N 334.416 1.898 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 25516436 RIMBQBSWWLHETA-MRXNPFEDSA-N 348.399 1.167 0 40 EDAB O=C(NCCCN1CCCCCC1=O)c1cnc2ccccn2c1=O 43768297 QQHUQMUYXYMAPZ-UHFFFAOYSA-N 342.399 1.217 0 40 EDAB CC[C@@H]1CN([C@H](C)C(=O)Nc2nccs2)CCN1C[C@H](C)O 107351152 GBYPBYUJYOJLSO-YNEHKIRRSA-N 326.466 1.247 0 40 EDAB COC(=O)c1oc(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1C 25933540 YEFQDYIGSSYGDK-ZDUSSCGKSA-N 349.431 1.159 0 40 EDAB CSCC[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)O 1795935 XWJNKCOADQIXDX-JTQLQIEISA-N 341.813 1.964 0 40 EDAB in-vitro CC(C)NC(=O)NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 3373440 QEOCRRJDWLKGQG-GQCTYLIASA-N 334.328 1.206 0 40 EDAB C[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)NC1CCCC1 58016161 UNJYRVHNQAOPNR-NSHDSACASA-N 333.388 1.662 0 40 EDAB CC(C)NC(=O)NC(=O)CSc1nnc(C(F)(F)F)n1C 3342133 XEBYXQWYXPDUEW-UHFFFAOYSA-N 325.316 1.160 0 40 EDAB CC(C)(CNC(=O)c1c(Cl)nc2ccccn12)N1CCOCC1 44820178 KETCMNWPWISITH-UHFFFAOYSA-N 336.823 1.828 0 40 EDAB Cc1nc(CN2CCCN(C(=O)[C@@H](C)n3ccnc3)CC2)cs1 70008003 KEYGYGYYVWLUAX-CYBMUJFWSA-N 333.461 1.944 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)c(Cl)c1 58268677 YWCRPUZOUNZDHW-ZJUUUORDSA-N 347.820 1.925 0 40 EDAB COc1cccc([C@H](CNc2ccc3nnnn3n2)N2CCCC2)c1 58314531 YXXJICKMBJIUSQ-HNNXBMFYSA-N 339.403 1.777 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cn1ccc(=O)c2ccccc21 58421682 ALGQSGXIHOZWQN-CHWSQXEVSA-N 329.400 1.421 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 70004062 KGQWSMASAKAQTH-HNNXBMFYSA-N 336.432 1.541 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1 36394654 NTXNGSGAKRWXBK-UHFFFAOYSA-N 348.424 1.791 0 40 EDAB COc1cc(F)c(S(=O)(=O)N2CCCN(C)CC2)cc1OC 48325714 NFOADHCGKPCVHS-UHFFFAOYSA-N 332.397 1.169 0 40 EDAB C[C@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)[C@@H]1CCCO1 48306913 VAYHZEAFLZIOEQ-BBRMVZONSA-N 329.404 1.693 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(CC(=O)N(C)c3nccs3)CCO2)n1 69349934 PFRSEHMFEAGNIA-AWEZNQCLSA-N 349.460 1.320 0 40 EDAB CC(=O)c1c[nH]c(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 13012025 CMYSRWMPFGNOAC-UHFFFAOYSA-N 342.307 1.588 0 40 EDAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2cnccn2)C[C@@H](C)O1 13005346 LYSPVBGNLXBACE-CHWSQXEVSA-N 340.383 1.978 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O 8327082 VGGLLEMVYOGMHQ-HNNXBMFYSA-N 344.352 1.316 0 40 EDAB O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2cnccn2)CC1 49367926 CNCQCRWYZUGMOR-UHFFFAOYSA-N 344.802 1.657 0 40 EDAB NC(=O)[C@H](Sc1n[nH]c(N)n1)c1ccc(Br)cc1 69557782 WCUPZUJBZARMPZ-SSDOTTSWSA-N 328.195 1.468 0 40 EDAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCO[C@@H](C(N)=O)C1 69570465 GHEGZGVPILZKKK-JOYOIKCWSA-N 346.305 1.185 0 40 EDAB COC(=O)[C@H](C)NC(=O)c1cc(F)ccc1NC(=O)N1CCCC1 49548369 WZRRNIOWVHVFGM-JTQLQIEISA-N 337.351 1.745 0 40 EDAB COC(=O)[C@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)c1ccccc1 69632701 HQZQHHDTMUQJMR-OAHLLOKOSA-N 347.415 1.411 0 40 EDAB O=C(Cn1nnc2ccccc21)N1CCC(Nc2cccnn2)CC1 69655416 IKFOCRMBFMQMDZ-UHFFFAOYSA-N 337.387 1.324 0 40 EDAB CCN(C(=O)Cn1cnnn1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 69625800 GJZIXEKGFVRCHG-HOCLYGCPSA-N 328.420 1.357 0 40 EDAB CCc1ccc(N2C(=O)C[C@]3(CC(C(=O)OC)=NN3N=O)C2=O)cc1 5091111 PFDGZRNJFDKXGY-MRXNPFEDSA-N 344.327 1.167 0 40 EDAB COc1ccc(OCc2noc(CN3CC(n4cccn4)C3)n2)cc1 69632899 LJLCYDPIPPUXOY-UHFFFAOYSA-N 341.371 1.911 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)NCCc1ccc(F)cc1 69737491 RDRCIMMKFVEJFC-INIZCTEOSA-N 345.422 1.488 0 40 EDAB CC[C@H]1CN(CC(=O)Nc2nc(C)cs2)CCN1CCOC 69739246 WWELSOBZZDMBRI-ZDUSSCGKSA-N 326.466 1.433 0 40 EDAB COc1ccc(CNC(=O)CN2CCc3c(ncn3C)C2)cc1OC 69738471 PAODSFLUJRSLSV-UHFFFAOYSA-N 344.415 1.112 0 40 EDAB Cc1ccc(NC2CCN(C(=O)CN3CCCCCC3=O)CC2)nn1 69778292 ZHTRZEBQJKXRNR-UHFFFAOYSA-N 345.447 1.591 0 40 EDAB Cc1nc(C)c(C(=O)OCC(=O)NC(=O)NCc2ccco2)s1 6366915 IHKUDQYZWSCCFG-UHFFFAOYSA-N 337.357 1.536 0 40 EDAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C1 4476701 GYKICQSNSDLKOX-UGSOOPFHSA-N 329.400 1.712 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 65401478 SHQAVTXZSPSQKD-UGSOOPFHSA-N 344.367 1.795 0 40 EDAB CCCc1nc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)no1 65415413 QYEHVXSVVGOULK-GFCCVEGCSA-N 336.436 1.878 0 40 EDAB CN1CCN([C@@H](CNC(=O)Nc2cn[nH]c2)c2cccs2)CC1 65417953 IZBIODOPPGKGGG-ZDUSSCGKSA-N 334.449 1.581 0 40 EDAB CC(=O)[C@H]1CC(C(=O)NCCC(=O)NC(C)C)=NN1c1ccccc1 65565186 GANMSGJNVHPVHQ-MRXNPFEDSA-N 344.415 1.241 0 40 EDAB Cc1cc(C(=O)NC2CCN(C(=O)Cc3ccccc3O)CC2)on1 65518660 PYWBTSOOMSIKSJ-UHFFFAOYSA-N 343.383 1.652 0 40 EDAB O=C(NCC(=O)N1CCC[C@@H](N2CCCC2)C1)NC1CCCCC1 69817128 RHWHUJSUUVLEOO-MRXNPFEDSA-N 336.480 1.705 0 40 EDAB COC(=O)[C@@H](C)N(CC(=O)NCC1(c2ccccc2)CC1)C1CC1 69917398 DXLUVLWBGWHTQM-CQSZACIVSA-N 330.428 1.860 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1 69972868 WYMSBNJFDIYPEV-CYBMUJFWSA-N 341.839 1.193 0 40 EDAB CC(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5636939 NNWCVPTYDBUWFI-ZDUSSCGKSA-N 332.400 1.973 0 40 EDAB C[C@H](C(=O)NCc1ccccc1Cl)N1CCO[C@H](CN(C)C)C1 69976601 VHJRLJULHJEIBF-UKRRQHHQSA-N 339.867 1.607 0 40 EDAB Cn1nc(C(=O)NCCCOC[C@H]2CCCO2)c2ccccc2c1=O 8728099 VDFHJFVWHQXEBY-CYBMUJFWSA-N 345.399 1.249 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2nc(C)no2)c1C 66576999 SRYMTZHNNPIUHQ-SECBINFHSA-N 339.373 1.513 0 40 EDAB CN(C(=O)CSc1nc(N)nc(N)n1)[C@H]1CCCc2ccccc21 6879903 KPMHPXHPMTYPMT-LBPRGKRZSA-N 344.444 1.664 0 40 EDAB O=C(CN1CCN(C(=O)c2cccs2)CC1)NCc1ccccc1 22285586 JRASUAXLYBZANV-UHFFFAOYSA-N 343.452 1.822 0 40 EDAB O=S(=O)(Oc1ccc(-n2cnnn2)cc1)c1ccc2c(c1)CCC2 8776545 SXYPAGMVPPTYKP-UHFFFAOYSA-N 342.380 1.919 0 40 EDAB CCCc1noc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)n1 96443311 RIQHYNMUXDBWMB-LLVKDONJSA-N 338.433 1.863 0 40 EDAB C[C@H](CNC(=O)N1CCO[C@H](CCc2ccccc2)C1)[S@](C)=O 96013834 KKIURBDBZOLFFB-GTAYFMOCSA-N 338.473 1.797 0 40 EDAB CCOC(=O)C1=C(C)[C@@](C(C)=O)(C(N)=O)NC(C)=C1c1ccccc1 20458781 SQVXHXYVBRSXLJ-LJQANCHMSA-N 342.395 1.714 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(CCc3cccs3)CC2)cn1 71841467 ULVLAPHWJNJUEL-SJORKVTESA-N 344.484 1.972 0 40 EDAB O=C(NCCOc1ccc(F)cc1F)N[C@@H]1CCCCNC1=O 71882506 BQXIVPPWLXOCTR-GFCCVEGCSA-N 327.331 1.312 0 40 EDAB O=C(c1ccc(N2CCCC2)nn1)N1CCC[C@H]1Cn1cccn1 71872025 DCYNYNDOXMPTJI-AWEZNQCLSA-N 326.404 1.578 0 40 EDAB C[C@H]1CCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 71842058 NHVPVJCPPYDSMC-AWEZNQCLSA-N 333.432 1.289 0 40 EDAB Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCCc1cnn(C)c1 83719157 PMFDUQPTRJYMKE-CQSZACIVSA-N 331.424 1.477 0 40 EDAB Cn1cc(C(N)=O)cc1C(=O)N1C[C@H]2CCCN2Cc2ccccc21 89749972 QIZWREXOJJQADN-OAHLLOKOSA-N 338.411 1.749 0 40 EDAB CCn1cc([C@@H]2OCC[C@H]2CNCc2ccc(C(N)=O)cc2)cn1 83843497 WJGNDZDPWFRWFQ-DOTOQJQBSA-N 328.416 1.869 0 40 EDAB COc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)O)cc2c1OCCO2 89821009 WGFSKNYLOZVFDU-GFCCVEGCSA-N 337.372 1.943 0 40 EDAB CCc1nnnn1-c1ccccc1NC(=O)NCCc1ccccn1 71922260 BDQNJOPOVJPWKW-UHFFFAOYSA-N 337.387 1.984 0 40 EDAB CC(C)n1nc(C(=O)N2CCN(C)C[C@H]2C)c2ccccc2c1=O 89938321 PCLGZAZSCDKXOG-CYBMUJFWSA-N 328.416 1.754 0 40 EDAB CCN1CCN(CCNc2nc3ccc(C)cc3c(=O)n2C)CC1 89977335 BOPGAWFIMZIJGB-UHFFFAOYSA-N 329.448 1.291 0 40 EDAB CC(C)c1nnc2n1C[C@@H](CNc1ncnc3c1cnn3C)CC2 75584746 MKJMJFCWQPCPAO-LLVKDONJSA-N 326.408 1.753 0 40 EDAB Cc1ccc([C@H](CNC(=O)N2CCC[C@H](CC(N)=O)C2)N(C)C)cc1 76093972 PYUIJYOEYVCNEN-WBVHZDCISA-N 346.475 1.895 0 40 EDAB C[C@H](NC(=O)NCc1ccccc1Cn1cncn1)c1cnn(C)c1 76084806 YCFCDLBKMLCRAM-ZDUSSCGKSA-N 339.403 1.620 0 40 EDAB O=C(CCNC(=O)N[C@@H]1CCN(C2CCCC2)C1)NC1CCCC1 72270158 NCKYHAPQOUPHDM-OAHLLOKOSA-N 336.480 1.751 0 40 EDAB Cn1c(CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)nnc1C1CC1 97115053 IJPFJNGISLRCAQ-IBGZPJMESA-N 336.395 1.836 0 40 EDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCCc1nccn1C(F)F 76021105 ITWPHPXBUUVAMR-JLLWLGSASA-N 328.363 1.933 0 40 EDAB O=C1CC[C@@H](NC(=O)NCCc2csc(-c3ccccc3)n2)CN1 84564744 ZFHAMUPPFUYNEA-CYBMUJFWSA-N 344.440 1.930 0 40 EDAB CN1CCN(C(=O)Cn2ccc(NC(=O)c3cccc(F)c3)n2)CC1 95399035 XRVYXRFNIAKTER-UHFFFAOYSA-N 345.378 1.049 0 40 EDAB CCc1cnc(CCNC(=O)N2CCC[C@H]2C(=O)NC2CC2)s1 95436957 XXNWUAAKNGJJFR-ZDUSSCGKSA-N 336.461 1.701 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)C[C@@H]1O 95445022 XDIPMFYVOSFACK-XWIAVFTESA-N 343.427 1.444 0 40 EDAB CCCN1CCC(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)CC1 78973809 SQUOMQPHJLKXDA-HNNXBMFYSA-N 333.480 1.869 0 40 EDAB O=C(CCC(=O)N1CCC(O)CC1)NCc1ccc(F)c(Cl)c1 95979944 ATFOGDYKAROSTA-UHFFFAOYSA-N 342.798 1.859 0 40 EDAB Cc1noc(C)c1NC(=O)Cn1cc(Br)ccc1=O 95957790 ORFIXOATPZESTQ-UHFFFAOYSA-N 326.150 1.854 0 40 EDAB C[C@@H](NC(=O)N1CCN(C)C[C@@H]1c1ccccc1)c1nncn1C 95950785 WSZZJYUKUQFIMP-UKRRQHHQSA-N 328.420 1.574 0 40 EDAB CS(=O)(=O)NCCN1CCCCC[C@H]1C[C@H](O)c1ccco1 95965759 PEMPGKZGNWTDRL-KBPBESRZSA-N 330.450 1.497 0 40 EDAB COc1ccc(CC(=O)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 408626130 ZYYJZCSXZIDIMK-WKLICJCCSA-N 337.375 1.817 0 40 EDAB CNC(=O)C1(C(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)CCC1 89385823 SZTLLNIEXIMFGE-UHFFFAOYSA-N 326.400 1.951 0 40 EDAB COC(=O)c1cc(I)c(=O)[nH]c1C(F)F 217590120 BTYVYWUASFGMJN-UHFFFAOYSA-N 329.040 1.704 0 40 EDAB COc1ccccc1-c1ccc(N2C[C@@](C)(CO)[C@@](C)(CO)C2)nn1 1548519511 NHAHWXACAHEXOL-KDURUIRLSA-N 343.427 1.969 0 40 EDAB CC(C)(C)OC(=O)COC(=O)c1ccccc1NS(C)(=O)=O 28116143 MDTFNGUALSNGJA-UHFFFAOYSA-N 329.374 1.557 0 40 EDAB CCc1nnsc1C(=O)NCC(=O)Nc1cc(C)ccc1OC 32754022 SNQJLLSILCBENQ-UHFFFAOYSA-N 334.401 1.786 0 40 EDAB CCOC(=O)CCc1cc(N[C@@H]2CCC[C@H]2C(=O)NC)nc(C)n1 521398641 VPHFXMCHQSVACF-ZIAGYGMSSA-N 334.420 1.607 0 40 EDAB O=C(NCCNC(=O)c1c(F)cccc1F)NCc1nccs1 79036175 TXONOKKHXKDHJY-UHFFFAOYSA-N 340.355 1.651 0 40 EDAB O=C1c2ccccc2C(=O)N1CCCc1noc([C@H]2CCCNC2)n1 218378709 CDNMYUGSZAMKPW-LBPRGKRZSA-N 340.383 1.765 0 40 EDAB Cc1noc(CNC(=O)C2CCN(C(=O)c3ccccc3F)CC2)n1 70655655 UEDFVUUDCVASOA-UHFFFAOYSA-N 346.362 1.686 0 40 EDAB CCN(CC)CCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 72238053 YAQOMZAVSVAOTM-IRXDYDNUSA-N 333.432 1.043 0 40 EDAB O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cscn1 79048708 QFBKKAMFDRNJMH-ZDUSSCGKSA-N 327.369 1.976 0 40 EDAB NS(=O)(=O)[C@@H]1CCCN(C(=O)NCCCc2cccs2)C1 558572002 CJLOBOSVLICGRZ-GFCCVEGCSA-N 331.463 1.143 0 40 EDAB Cc1cc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)ccc1C(=O)O 314604585 DKBSCXQNVZEGKA-GFCCVEGCSA-N 326.374 1.056 0 40 EDAB Cc1nc(NCCNS(=O)(=O)Cc2ccccc2)cc(N(C)C)n1 38488307 OYANMKYNRFCRHA-UHFFFAOYSA-N 349.460 1.383 0 40 EDAB Cc1nnc(Nc2cccc(C3CCN(C(=O)CN)CC3)n2)s1 72382971 NERVKDZWHJIGBG-UHFFFAOYSA-N 332.433 1.650 0 40 EDAB Cc1cc(C)nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)n1 72202994 DKLCBTIYSXAHCE-GFCCVEGCSA-N 336.392 1.604 0 40 EDAB CN(C)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223294662 ZFVFWBKIMNQSHG-UHFFFAOYSA-N 342.417 1.092 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@@](O)(c1ccco1)c1cccs1 225585415 GYSOOWBVZGCVBU-MRXNPFEDSA-N 347.396 1.749 0 40 EDAB CCCCn1ncc(C(=O)N2C[C@H](CN)C3(CCOCC3)C2)c1C 566973464 YRAILXLPYVCMJM-HNNXBMFYSA-N 334.464 1.819 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 44394601 GCTNCFHSLAPHDD-UHFFFAOYSA-N 330.363 1.040 0 40 EDAB COc1ccccc1OCc1cn(CC(=O)N2CCCCC2)nn1 227160137 YVHMMQPQYRTITR-UHFFFAOYSA-N 330.388 1.878 0 40 EDAB CC(C)(C)CCN1C[C@@H]2Oc3ncccc3S(=O)(=O)N[C@@H]2C1 514288949 DLIPHUACSKAGDL-NEPJUHHUSA-N 325.434 1.241 0 40 EDAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCOC(C)C)cc1 42236357 ZWFIMMXLOVCRHG-AWEZNQCLSA-N 342.461 1.593 0 40 EDAB CN(C)c1ccc(CNC(=O)[C@H]2NCCOc3ccccc32)cn1 1578426102 UECWKEYHPWJTAK-KRWDZBQOSA-N 326.400 1.487 0 40 EDAB Cc1cc(N2CCC(n3cc(CN4CCNCC4)nn3)CC2)ccn1 82039338 BOUAEHRFYPYSLC-UHFFFAOYSA-N 341.463 1.228 0 40 EDAB CCOCCN1Cc2ncn(C)c2[C@H](COCC2CCOCC2)C1 96045018 IETNGSKIPMUUII-INIZCTEOSA-N 337.464 1.799 0 40 EDAB O[C@@H]1[C@@H](NC2CCC(F)(F)CC2)CO[C@H]1CN1CCC(F)(F)C1 514289125 VBRAMKUCVQNLGT-RWMBFGLXSA-N 340.361 1.623 0 40 EDAB biogenic,in-vitro Cc1ccc(N2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)nn1 96249715 HWHLQUJIAQGDBA-QZTJIDSGSA-N 339.443 1.907 0 40 EDAB CCOCC(=O)N1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 96106866 YCNOPNFSQXVYQD-INIZCTEOSA-N 334.416 1.785 0 40 EDAB CC(C)(C)n1cc(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cn1 96419351 XSOUNPSPYKGDPX-QWHCGFSZSA-N 327.450 1.724 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3O[C@@H](c4nc(C)no4)C[C@H]3C2)cn1 96043640 CLZPWHOXYBLEPZ-IACUBPJLSA-N 329.360 1.469 0 40 EDAB CN(C)CCOC[C@@H]1CN(C(=O)c2cscn2)Cc2ccnn2C1 96188977 YCYXMYUHDLKEOJ-CYBMUJFWSA-N 349.460 1.190 0 40 EDAB Cc1nc(C)c(C(=O)NCCn2cnc3ccsc3c2=O)s1 238900981 RMLSYWBLBSEJIO-UHFFFAOYSA-N 334.426 1.961 0 40 EDAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)c1F 239578972 DCTQMKBLULUGFQ-NSHDSACASA-N 346.362 1.170 0 40 EDAB O=C(NC1CCN(c2cccnn2)CC1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 333993512 LVLFZYRWHUFCBT-NXNVCVFFSA-N 339.443 1.909 0 40 EDAB Cc1ncsc1CN1CC[C@@]2(C[C@H](NS(C)(=O)=O)CCO2)C1 96218601 KYXOWFRJJQJEQX-TZMCWYRMSA-N 345.490 1.124 0 40 EDAB O=C([C@H]1COC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21)N1CCCO1 96040809 DCDKIYCENNWLRM-OIISXLGYSA-N 334.391 1.684 0 40 EDAB O=C(Cc1ccccn1)N1CCc2ncc(Cn3cccn3)n2CC1 96067912 FCIFIBPNMKUBIG-UHFFFAOYSA-N 336.399 1.150 0 40 EDAB Cc1cnc(N2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1 96224860 ZFWGPWGUXKTTEG-QAPCUYQASA-N 346.431 1.019 0 40 EDAB Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc([C@@H]2CCCO2)nn1C 333057784 RUKAENPKDUXQFD-YPMHNXCESA-N 345.407 1.828 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCC2)C1 96041146 PQRFDQDKTQOBQP-BHYGNILZSA-N 333.432 1.751 0 40 EDAB CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCc1nnc(C(C)(C)C)s1 332775750 KOKRAJUTKFXDMH-NXEZZACHSA-N 339.465 1.550 0 40 EDAB O=C(CC1CC1)N1CCO[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 96074873 GZUPTYASYBXSTA-KRWDZBQOSA-N 334.395 1.614 0 40 EDAB Cc1c(C(=O)N[C@@H]2CCc3n[nH]c(=O)cc3C2)cnn1-c1ccccc1 238951254 WYZGIRQBDWVHGA-CQSZACIVSA-N 349.394 1.551 0 40 EDAB O=C(NCC[S@](=O)c1ccccc1)NC[C@H](O)c1ccsc1 96417777 SWJSFMAMWQWGGB-RCDICMHDSA-N 338.454 1.889 0 40 EDAB C[C@H]1CCCN(C(=O)Cc2ccc(OCc3nnnn3C)cc2)C1 96191972 ROBKXTPZTYCBEM-ZDUSSCGKSA-N 329.404 1.590 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(OC)cc2)O1 96057337 SANBXRCZZANJJC-KURKYZTESA-N 348.443 1.580 0 40 EDAB COCCN(C)C(=O)[C@@H]1CCCN(Cc2cnc3ccccn23)C1 95413170 QHDTVDJFNRIEGL-OAHLLOKOSA-N 330.432 1.651 0 40 EDAB CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O 98043885 GYLAFPKEPIVJKM-MNOVXSKESA-N 346.449 1.708 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 247320401 LNWHWLLYXMHVQU-NSHDSACASA-N 326.443 1.513 0 40 EDAB COc1cc(N2Cc3cncn3[C@H](CNC(=O)CC3CC3)C2)ncn1 247876576 GYMGQTDFMPTMTC-CQSZACIVSA-N 342.403 1.159 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1nccn1C 257321829 WDKISEZEESTMQY-OAHLLOKOSA-N 342.399 1.474 0 40 EDAB O=C(NCc1ccc(OCC(F)(F)F)nc1)NCC1CCNCC1 583193166 VYFFKBGVUQOLGD-UHFFFAOYSA-N 346.353 1.822 0 40 EDAB O=C1C[C@@H](CC(=O)N(CCn2ccnc2)C2CCSCC2)CO1 585087574 NAFKOSHCXFVKOC-CYBMUJFWSA-N 337.445 1.561 0 40 EDAB CNC(=O)c1cnn2c([C@H]3CCN(C4CCOCC4)C3)ccnc12 257273599 NHIOLIMHELIRIT-LBPRGKRZSA-N 329.404 1.057 0 40 EDAB Cn1cnnc1[C@H]1CN(C(=O)N[C@H]2CCCc3occc32)CCO1 583623928 QHVZWJVDTCPEAH-GXTWGEPZSA-N 331.376 1.569 0 40 EDAB Cn1cnnc1[C@@H]1CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)CCO1 583623927 ONDINQRRHGMCLV-KKUMJFAQSA-N 327.388 1.454 0 40 EDAB Cc1nccc(C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)n1 583622195 WUXCPGJPYSRLOV-GXTWGEPZSA-N 344.419 1.518 0 40 EDAB NC(=O)C1CCN(c2ccc(Nc3ncc(C=O)cn3)cc2)CC1 585118200 GNYOHRVADBNPLV-UHFFFAOYSA-N 325.372 1.734 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C(F)F)[nH]n2)C1 585135398 HONFJRTVRULOOB-NXEZZACHSA-N 344.362 1.351 0 40 EDAB Cc1cc(C)cc(C[C@H](C)NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)c1 585129668 QYIRVMLIACKLFJ-IAOVAPTHSA-N 328.416 1.952 0 40 EDAB CNCC(=O)N1[C@H]2CCCC(=O)N[C@@]2(C)C[C@H]1Cc1ccccc1 257276828 NVIDZCNYUBQILB-GJYPPUQNSA-N 329.444 1.477 0 40 EDAB CCCn1ccc(C(=O)N2CCOC[C@H](Cc3cc(O)ncn3)C2)n1 257322901 WHXOMOSGZXGKSM-CYBMUJFWSA-N 345.403 1.120 0 40 EDAB CCCn1cc(CN2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1 257259642 KZHWUFXPTABMGG-CYBMUJFWSA-N 337.449 1.409 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(Cc2cncs2)CC1 257331046 XRELCFWFSOQNCN-UHFFFAOYSA-N 331.445 1.949 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)CC(c3cccs3)CC2=O)no1 85473482 OJIYBBSOLMYYQV-UHFFFAOYSA-N 333.369 1.916 0 40 EDAB C[C@H]1CC(C(=O)O)C[C@H](C)N1Cc1nnnn1CC1CCOCC1 1604652346 NFTDHUAVEJVGNN-RYUDHWBXSA-N 337.424 1.173 0 40 EDAB COCCN(Cc1ccsc1)S(=O)(=O)c1c(C)nn(C)c1C 96025746 XKRNSGLCCWBGOV-UHFFFAOYSA-N 343.474 1.936 0 40 EDAB CC(C)CS(=O)(=O)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 96366892 DVMDZUKVEDUJFC-CQSZACIVSA-N 345.486 1.911 0 40 EDAB COC[C@@]1(CC(N)=O)CN(Cc2ccc(Cl)c(F)c2)CCO1 585277056 FODFLHVYTIICID-OAHLLOKOSA-N 330.787 1.572 0 40 EDAB CCn1ccc(C(=O)N2CCC[C@]23CC(C)(C)O[C@H]3CC(=O)NC)n1 585287944 IYNBBUZJPVZRFZ-KBXCAEBGSA-N 348.447 1.581 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)CCn2c(C)cc3ccccc32)CCN1C 585168407 AQAABMVDQXIZRU-KRWDZBQOSA-N 342.443 1.228 0 40 EDAB C[C@H]1C[C@H]1CNC(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1 47096800 OCYOMIBPZNVCQD-GJZGRUSLSA-N 346.479 1.488 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)NCC(=O)N1CCCC1 56322104 ZLXXNHYDQITJBB-YPMHNXCESA-N 347.390 1.772 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)N[C@@H]1CCc2ccccc2C1 57656960 DGVDDAYWYYTUJM-MRXNPFEDSA-N 348.406 1.855 0 40 EDAB C[C@]1([C@H]2CCCN(Cc3nc4ccccc4o3)C2)NC(=O)NC1=O 72300789 ZSVQBOCYTMNGDY-APPDUMDISA-N 328.372 1.638 0 40 EDAB O=C(c1cnn2c1OCCC2)N1CCN(Cc2ccncc2)CC1 85555374 UPKKHADVKOZZHQ-UHFFFAOYSA-N 327.388 1.019 0 40 EDAB CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1nncs1 79018168 NFEJITPLCZUQIH-ZDUSSCGKSA-N 347.375 1.844 0 40 EDAB CCC[C@@H]1CN(C(=O)[C@@H]2CNCc3ccccc32)CCN1CCOC 579715255 VKOQVDLKKZBMJU-IEBWSBKVSA-N 345.487 1.833 0 40 EDAB CC[C@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)O 5461452 RKKAECASDDATIR-SCRDCRAPSA-N 336.388 1.917 0 40 EDAB C[C@@H](Sc1ncccn1)C(=O)Nc1cccc(S(N)(=O)=O)c1 12600781 YDPFBWGLUYHMDQ-SECBINFHSA-N 338.414 1.243 0 40 EDAB C[C@@H]1CN(C(=O)OCC23CO[C@@]4(C)CC[C@@](C)(OC2)N34)C[C@@H](C)O1 17352496 MDPLWPPNTOIDNE-LRVWRGMPSA-N 340.420 1.560 0 40 EDAB NC(=O)CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1 19336330 CYRIWYATJJVNLE-BRWVUGGUSA-N 345.418 1.337 0 40 EDAB C[C@@H](NC(=O)CC1CCN(S(C)(=O)=O)CC1)c1ccccn1 19748777 HSOSRSFSAGSIRZ-GFCCVEGCSA-N 325.434 1.321 0 40 EDAB CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1(c2ccc(F)cc2)CCOCC1 581134909 HCFFYJPNSUXMTB-LSDHHAIUSA-N 334.391 1.672 0 40 EDAB CCOC(=O)c1cnc(N2CCN(c3nccs3)CC2)nc1C 583652295 ZZHIOYJZZSRLSU-UHFFFAOYSA-N 333.417 1.745 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)OCc3nc(C)no3)ccc21 25448238 YEBUGYACMDVDNR-UHFFFAOYSA-N 328.328 1.773 0 40 EDAB O=C(/C=C/c1nc2ccccc2o1)N1CCN(c2cnccn2)CC1 25833912 DXCUMZPRBXLAFJ-AATRIKPKSA-N 335.367 1.980 0 40 EDAB O=C(NCCN1Cc2cc(F)ccc2OCC1=O)c1ccccn1 238957883 YDPUJSQEYQUWFC-UHFFFAOYSA-N 329.331 1.372 0 40 EDAB CC(C)N(C)C[C@H]1CN(C(=O)CC2(O)CCC2)Cc2nccn2C1 1614947542 ATRNCHADQTWDKL-OAHLLOKOSA-N 334.464 1.487 0 40 EDAB Cc1nnc(CN2CCN(c3ccc4nc(C)c(C)n4n3)CC2)o1 2087018061 OYICCIHAMXCVME-UHFFFAOYSA-N 327.392 1.360 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@]2(OCCO)CCSC2)cc1C 1565523114 YRVLUXPBSMDODO-HNNXBMFYSA-N 345.486 1.466 0 40 EDAB CCC(CC)NC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713798 MDYDZUQVDVAXIK-CYBMUJFWSA-N 332.448 1.986 0 40 EDAB O=C1N=C(c2ccccc2)N[C@@]12CC[C@@H]1CN(c3ncccn3)C[C@@H]12 2055714732 OCHOGPMIFCRGLS-ZRGWGRIASA-N 333.395 1.638 0 40 EDAB O=C(CN1CCN(C[C@H](O)c2ccco2)CC1)NCc1ccccc1 27203059 QJBNYWIQSVRWCT-KRWDZBQOSA-N 343.427 1.247 0 40 EDAB Cc1nnc(NC(=O)Cn2cnc(-c3cccs3)cc2=O)s1 49028321 MKEWPNRHIHWTDS-UHFFFAOYSA-N 333.398 1.770 0 40 EDAB CC[C@H]1CCCCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 40069499 UAIPSKUTXJGZIK-NSHDSACASA-N 330.388 1.037 0 40 EDAB COc1cc(OC)c(OC)cc1CNCCN1C[C@H](C)O[C@@H](C)C1 30663220 WXHJIITUFJCMLR-KBPBESRZSA-N 338.448 1.911 0 40 EDAB Cc1cc(S(=O)(=O)N2CC[C@@H](CN)C2)ccc1Br 50246673 IQMLRCXWDVILRA-JTQLQIEISA-N 333.251 1.727 0 40 EDAB C[C@H]1CCc2ccccc2N1C(=O)CS(=O)(=O)C[C@H]1CCCO1 45359675 BMLGIKZZLNRLTN-DZGCQCFKSA-N 337.441 1.948 0 40 EDAB CCOCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 69439194 UMJMYCMMTGBODR-LBPRGKRZSA-N 346.474 1.444 0 40 EDAB CCS(=O)(=O)NCCSc1nnnn1-c1cccc(C)c1C 68044297 HTSKTQHAWJHWCI-UHFFFAOYSA-N 341.462 1.311 0 40 EDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCO)nn12)[C@H](C)CCC3 2431178 JYYUALAQWVNWJP-MRVPVSSYSA-N 345.428 1.809 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1CC(=O)N(CC2CC2)C1 40508680 YTYSUTSNBCUDTI-AWEZNQCLSA-N 344.415 1.115 0 40 EDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCO2 245586 SPRNEGSPOGSGBR-UHFFFAOYSA-N 341.302 1.847 0 40 EDAB C[C@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C[C@H](C)O1 40536480 PBRUFHAKQXKNHF-STQMWFEESA-N 328.434 1.673 0 40 EDAB Cc1cc(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)n(C)n1 89591717 LZWRPIXKUBOGFP-UHFFFAOYSA-N 340.383 1.535 0 40 EDAB Cc1nnc2ccc(N3CCC(C(=O)Nc4cccnc4)CC3)nn12 20737483 FBKHGNIRKWOASM-UHFFFAOYSA-N 337.387 1.683 0 40 EDAB COc1ccc([C@H](CN2CCOCC2)Nc2nccc(OC)n2)cc1 75125742 NFOUFUDDBHLAPH-INIZCTEOSA-N 344.415 1.979 0 40 EDAB CCN(c1ccc(OCC(=O)N2CCCCC2)cc1)S(C)(=O)=O 10010029 IOFKDFLSXXPSDO-UHFFFAOYSA-N 340.445 1.864 0 40 EDAB CCN1CCc2nc(NC(=O)[C@@H](C)NC(=O)c3ccco3)sc2C1 21294864 BNUJKACGBALZCS-SNVBAGLBSA-N 348.428 1.871 0 40 EDAB O=C(Nn1c(S)nc2ccccc2c1=O)c1cc(C2CC2)[nH]n1 102003110 DXAYGGBWFVKVQR-UHFFFAOYSA-N 327.369 1.670 0 40 EDAB O=C(CN1CCC(N2CCNC2=O)CC1)N1CCc2ccccc2C1 52214502 LXJXATJTVGIGFS-UHFFFAOYSA-N 342.443 1.061 0 40 EDAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-n2ccnc2)cc1 10355834 JCGYONBEVVXHNQ-AWEZNQCLSA-N 328.397 1.838 0 40 EDAB Cc1cc(C(=O)/N=c2\sc3cc4c(cc3n2C)OCCO4)nn1C 101025460 CCMMLOWCQSLUGR-MSUUIHNZSA-N 344.396 1.794 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)C[C@H](NC(C)=O)c1cccs1 32879635 ULHYWFYTONFFGL-JQWIXIFHSA-N 325.434 1.346 0 40 EDAB CCCc1noc(CCCC(=O)NC[C@](C)(O)c2cnn(C)c2)n1 75145951 CNYSECPDBAOACH-INIZCTEOSA-N 335.408 1.102 0 40 EDAB O=C(NC1Cc2ccccc2C1)[C@H]1CC[C@H](Cn2cnnn2)CC1 101969124 OMCFUCYQMYPAAE-OKILXGFUSA-N 325.416 1.763 0 40 EDAB Cc1nn(CN2CCN(c3ccncc3)CC2)c(=O)c2ccccc12 21996308 BPFJWIZFNIFFKO-UHFFFAOYSA-N 335.411 1.880 0 40 EDAB CC[C@@]1(C(=O)OC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420154 ZGXVQNNROBNADB-PFHKOEEOSA-N 334.347 1.023 0 40 EDAB C[C@@]12CC(=O)[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]12 102957699 QBBIKAMODROGHL-RPLLJCPNSA-N 327.336 1.880 0 40 EDAB C[C@@H](NC(=O)N1CCN(Cc2ccsc2)CC1)c1nncn1C 46963661 TTZBSHAORYWBTN-GFCCVEGCSA-N 334.449 1.465 0 40 EDAB CS(=O)(=O)CCCC(=O)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 102695808 MGNZFMAEZBSULF-RBSFLKMASA-N 328.478 1.144 0 40 EDAB c1coc(CN2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)c1 107739637 XOQYEXILRLOIFL-ROUUACIJSA-N 336.432 1.362 0 40 EDAB O=C(NCCCOCc1ccco1)[C@@H]1CCCN(C(=O)C2CC2)C1 42390766 FUVKQPZDDXNQET-OAHLLOKOSA-N 334.416 1.951 0 40 EDAB Cc1nonc1CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@@](C)(C1=O)C2(C)C 100773244 LMFFNOUYANZBQO-GTNSWQLSSA-N 348.403 1.148 0 40 EDAB O=C(O)C1=C[C@H](c2cccc(O)c2)n2nc(C(F)(F)F)nc2N1 102335910 JUARCJYGPPESPR-SECBINFHSA-N 326.234 1.986 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)Cc1ccc(N2CCCC2=O)cc1 42532982 TYVZAJAYCONTQE-AWEZNQCLSA-N 326.400 1.757 0 40 EDAB COc1ccccc1COC[C@H](O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 58016656 VZMRGJQRKIUMBD-OAGGEKHMSA-N 345.395 1.524 0 40 EDAB CNC(=O)c1cccc(NC(=O)NCCC(=O)NC2CCCC2)c1C 54407229 MCXXDNULPDAYAQ-UHFFFAOYSA-N 346.431 1.925 0 40 EDAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)c1 24094611 DUMUDXLQSNPUIM-CQSZACIVSA-N 346.383 1.494 0 40 EDAB COCCCNC(=O)CSc1nc2ccccc2n1CCOC 12531287 QXZZDCDCPLNHRR-UHFFFAOYSA-N 337.445 1.928 0 40 EDAB CCN(CCNC(=O)[C@@H]1CC(=O)N(CCOC)C1)c1cccc(C)c1 65405984 ZNSUQHNFXDKSGT-MRXNPFEDSA-N 347.459 1.432 0 40 EDAB O=C(COC(=O)c1ccc(O)cc1)Nc1ccc2c(c1)OCCO2 3260182 LSUZOGXBHPUJJO-UHFFFAOYSA-N 329.308 1.959 0 40 EDAB CC(C)(C)OC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 3288459 KJTRBWRTGIWKTL-UHFFFAOYSA-N 344.367 1.841 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)n1 44394599 NHMCUHWMLNPVOH-UHFFFAOYSA-N 330.363 1.040 0 40 EDAB O=S(=O)(N[C@H]1CCN(CC(F)(F)F)C1)c1cc(F)cc(F)c1 57929624 LIOXAJZKLRKVEG-JTQLQIEISA-N 344.305 1.880 0 40 EDAB CCC(=O)c1ccc(OCC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 44718028 ZREQMQWNTZMLOR-LBPRGKRZSA-N 339.413 1.209 0 40 EDAB Cc1csc(=O)n1CCC(=O)NCCc1cn2ccccc2n1 12669387 RGHJXZLHMYQRJG-UHFFFAOYSA-N 330.413 1.615 0 40 EDAB O=C(NCCN1CCOCC1)[C@H](c1ccccc1)N1CCSCC1 58201603 OVGFVEGIROLACQ-KRWDZBQOSA-N 349.500 1.225 0 40 EDAB O=C(NCCCn1cncn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 58342694 YGVQHVIAJDLEJS-INIZCTEOSA-N 345.422 1.836 0 40 EDAB COc1ccccc1NC(=O)[C@H](C)Nc1cccc(OCC(N)=O)c1 28354418 RKFWVHPWENKEDG-LBPRGKRZSA-N 343.383 1.998 0 40 EDAB CN(C)[C@H](CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1ccco1 48273733 BNUUPPMOLXDFBJ-HLLBOEOZSA-N 329.400 1.840 0 40 EDAB C[C@H]1CCCN(CC(=O)NCc2ccccc2CN2CCOCC2)C1 12889913 RYXIQXOLEDDZAO-KRWDZBQOSA-N 345.487 1.867 0 40 EDAB Cc1ccc(CNC(=O)COC(=O)[C@H]2COc3ccccc3O2)cc1 3497562 HZSAEEZFRANIEQ-QGZVFWFLSA-N 341.363 1.994 0 40 EDAB COc1ccc(NC(=O)Cc2c(C)nc3c(c2C)c(=O)[nH]n3C)cn1 62640118 VMNMHJQPUYZBGU-UHFFFAOYSA-N 341.371 1.463 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCC1CCCCC1 12907773 OHRRUCDQOLOIIY-UHFFFAOYSA-N 326.418 1.653 0 40 EDAB Cc1nc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)cs1 4077929 KAFDVYVBTSWLOP-UHFFFAOYSA-N 326.399 1.701 0 40 EDAB COCCn1cc(C(=O)O[C@H]2CCS(=O)(=O)C2)c2ccccc21 64357764 RHRRYSSEAYKWIA-LBPRGKRZSA-N 337.397 1.632 0 40 EDAB COC(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)nn1 69513020 OBXXKUQJSMCLQS-UHFFFAOYSA-N 328.372 1.598 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)COc2ccc(C)cc2OC)CC1 70008690 UATKDVHPERZUCU-HNNXBMFYSA-N 336.432 1.298 0 40 EDAB Cc1cccc(CN2CCCC[C@@H]2C(=O)OCC(=O)NC(N)=O)c1 70011916 COUZOLJRCKHLMH-CQSZACIVSA-N 333.388 1.088 0 40 EDAB CC(C)(C)C(=O)NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 6085397 KKORQAOJIOTGAP-UHFFFAOYSA-N 345.321 1.321 0 40 EDAB CCc1c(O)nc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)[nH]c1=O 5044895 XJBIDGQHNLEUKX-NSHDSACASA-N 345.380 1.462 0 40 EDAB C[C@@H](OC(=O)c1ccccc1O)C(=O)NCc1ccc2c(c1)OCO2 5078129 RFDAUZIDEXBYBX-LLVKDONJSA-N 343.335 1.983 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)CC[C@H]3CCCO3)CC2)n1 69518253 JDEZEVOORHTUPN-CQSZACIVSA-N 334.420 1.483 0 40 EDAB CCN1C[C@@H](C(=O)NC[C@H](C)N2CCc3sccc3C2)CC1=O 65399594 KVHHFEFGZJKFOT-JSGCOSHPSA-N 335.473 1.479 0 40 EDAB Cc1ccc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)nc1 14095637 TVMIJXFPOSUCGE-NSHDSACASA-N 344.396 1.456 0 40 EDAB COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C(C)C)N1CCOCC1 65568564 PPSWJWKTVDZRKW-HUUCEWRRSA-N 343.468 1.230 0 40 EDAB C[S@@](=O)c1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1 65575448 LKLJIRVHKATART-QFIPXVFZSA-N 326.418 1.679 0 40 EDAB COc1ccc(Br)cc1Cn1cnc2c(cnn2C)c1=O 14111176 IJOMEKJZIWLJIB-UHFFFAOYSA-N 349.188 1.949 0 40 EDAB CC(=O)Nc1nc(CN2CCN(C[C@H](O)C(C)(C)C)CC2)cs1 69652364 GXHUOMYCGAZGNS-AWEZNQCLSA-N 340.493 1.626 0 40 EDAB CC(=O)N[C@@H](C(=O)NCCC(=O)Nc1cccc(C)n1)C1CCCC1 69629178 JZDXRUKWBBSMAF-QGZVFWFLSA-N 346.431 1.530 0 40 EDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(O)c(OCC)c1 4786625 OMEUCZQRFORGLR-CQSZACIVSA-N 345.359 1.629 0 40 EDAB CC1(C)NC(=O)N(C[C@H](O)c2ccc(Br)cc2)C1=O 69892868 ZVWHFPVLJCDTES-JTQLQIEISA-N 327.178 1.813 0 40 EDAB O=C(Nc1cccc(C(F)(F)F)c1)c1nc(Cn2cncn2)n[nH]1 5763141 BZSSGVBNSBUNJF-UHFFFAOYSA-N 337.265 1.716 0 40 EDAB CCc1nc2n(n1)C[C@H](NC[C@H](O)COCc1ccccc1)CC2 69875247 AURITJDZEUWWMM-CVEARBPZSA-N 330.432 1.323 0 40 EDAB CC(C)(C)NC(=O)CCCC(=O)N1CCN(c2ccccn2)CC1 18180913 JWQRTMCRZOUTQT-UHFFFAOYSA-N 332.448 1.815 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1c[nH]c2ncccc12 69921062 GRIXDOSPMMMXBW-HNNXBMFYSA-N 343.431 1.235 0 40 EDAB C[C@@H](C(=O)OCC(=O)NC1CC1)N1CCN(c2ccc(F)cc2)CC1 69968448 YOKDGUWAPWUVIL-ZDUSSCGKSA-N 349.406 1.158 0 40 EDAB c1ccc(Cn2cc(CNC[C@H]3CN(C4CC4)CCO3)cn2)cc1 69951407 VKDOWIZYKHBHOD-IBGZPJMESA-N 326.444 1.884 0 40 EDAB COc1cc(NC(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)cc(OC)c1 9052220 PTRRVJPFHSENSY-AWEZNQCLSA-N 335.360 1.219 0 40 EDAB CN(C)CC(=O)Nc1ccccc1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C 71285007 LCBDVPLJGBTLSE-UONOGXRCSA-N 333.388 1.482 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(Cc3cscn3)CC2)cn1 71841463 OBVZGYCYGMEFRB-HUUCEWRRSA-N 331.445 1.325 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 71821268 XDEJYICVWQVGES-KRWDZBQOSA-N 340.427 1.669 0 40 EDAB Cn1nc(C(=O)N2CCC(OCCc3ccccc3)CC2)ccc1=O 71835068 UELFJJINAYIBEC-UHFFFAOYSA-N 341.411 1.644 0 40 EDAB CCCC(=O)N1CCCC[C@H]1C(=O)NCc1nc(-c2ccco2)n[nH]1 71883354 BWSKDMJKFDEYFP-LBPRGKRZSA-N 345.403 1.862 0 40 EDAB COCCN1CC[C@H](CNc2ccc3nnc(C(F)(F)F)n3n2)C1 71841029 YWEZYJOIQHEALG-SNVBAGLBSA-N 344.341 1.523 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCCN(c3nccs3)CC2)cn1 71841611 HDUBWCJJUDSZOO-UONOGXRCSA-N 331.445 1.719 0 40 EDAB C[C@H]1CN(C2CCN(C(=O)Cc3cn4ccsc4n3)CC2)CCO1 71829434 BKRQPKDHCCLASK-ZDUSSCGKSA-N 348.472 1.650 0 40 EDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1nccn1CC(F)(F)F 71908265 CZFBDYKIZVFWQN-RYUDHWBXSA-N 348.369 1.561 0 40 EDAB C[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(C(=O)c2cnccn2)CC1 71903553 DINDJEJNULSAFA-GDBMZVCRSA-N 346.431 1.356 0 40 EDAB Cc1cc(F)cc2c(=O)c(C(=O)NCCC(=O)N3CCCC3)c[nH]c12 84086342 WIKFOKNNRHGENP-UHFFFAOYSA-N 345.374 1.718 0 40 EDAB CC(C)Oc1cccc(C(=O)N2CCN(Cc3nccn3C)CC2)n1 89890895 VHXUOVDZESZDRK-UHFFFAOYSA-N 343.431 1.560 0 40 EDAB CNC(=O)c1cccc(NC(=O)COC(=O)Cn2c(C)ccc2C)c1 84191315 WJMHGEIQOPNQCF-UHFFFAOYSA-N 343.383 1.646 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)cs1 72232298 UDBGYUVYUNAXBP-JTQLQIEISA-N 335.389 1.813 0 40 EDAB CN(CC(=O)OCCNC(=O)c1cccnc1)C(=O)OC(C)(C)C 72289710 MUKJJQSMBZXWGK-UHFFFAOYSA-N 337.376 1.222 0 40 EDAB O=c1[nH]c2ccc(CNc3ccc4nnc(C(F)F)n4n3)cc2[nH]1 97086095 RHOJHALTWFAAQJ-UHFFFAOYSA-N 331.286 1.844 0 40 EDAB Cc1cc(N2CCC[C@H](NC(=O)CO)C2=O)ccc1Br 97095307 IWBVTUFFWFSMFJ-LBPRGKRZSA-N 341.205 1.361 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)no1 84281352 BQMHUNILNHPBNB-UHFFFAOYSA-N 328.372 1.271 0 40 EDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H]1CCN(CC(F)(F)F)C1=O 89948763 IFUXJFUHUDJRCV-FRRDWIJNSA-N 335.370 1.386 0 40 EDAB CN(C)c1ncnc2c1CN(Cc1ccc3c(c1)OCCO3)CC2 97201918 UENXPIIABRUZLE-UHFFFAOYSA-N 326.400 1.872 0 40 EDAB CC(C)[C@@H](N)C(=O)N1CCCN(C(=O)c2ccccc2Cl)CC1 95426469 KKYVDRAMOBAPFL-OAHLLOKOSA-N 337.851 1.998 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)NCCCNC(=O)C1CCC1 95407384 BYLJPWIWYVBIOW-CQSZACIVSA-N 333.436 1.403 0 40 EDAB CN(C)C1CCN(CCNC(=O)NCC2(O)CCCCCC2)CC1 95443488 FVDBQQSQJNDEOB-UHFFFAOYSA-N 340.512 1.397 0 40 EDAB CC[C@H]1CN(C(=O)c2cc(COC)oc2C)C[C@H]1N1CCOCC1 84736049 KVMBPGWZCHVBES-WMLDXEAASA-N 336.432 1.917 0 40 EDAB CCCN(CC(=O)NC)Cc1ccc(OCc2nccn2C)cc1 84755238 LANHTZKENRTTOP-UHFFFAOYSA-N 330.432 1.957 0 40 EDAB CO[C@]1(C)C[C@H](NC(=O)CCn2nc3ccccn3c2=O)C1(C)C 73263824 JOYGUDXJQCGTLK-YVEFUNNKSA-N 332.404 1.206 0 40 EDAB Cc1noc(-c2cccnc2N2CCN(c3cnn(C)c3)C(=O)C2)n1 98018808 OHTQFPVHSRWYHM-UHFFFAOYSA-N 339.359 1.027 0 40 EDAB CNC(=O)CN1CCC(NC(=O)C/C=C/c2ccc(F)cc2)CC1 78985112 LBXLGAZHCAOGEH-NSCUHMNNSA-N 333.407 1.556 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCOc2ccccc2F)C1 89486595 VXLVBJWBAAPSRK-GFCCVEGCSA-N 344.408 1.135 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)[C@H]1CNC(=O)N1)N1CCCCC1 89473463 UKRYUABKBVVELT-HUUCEWRRSA-N 346.431 1.020 0 40 EDAB CN(C)CCNC(=O)[C@@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 306140370 URFMTPJUYLZGSB-CYBMUJFWSA-N 330.407 1.999 0 40 EDAB CN1CCC[C@]2(CN(Cc3ccco3)C[C@H]2c2ccnn2C)C1=O 306124231 BKEGDSWZTZBFLF-MAUKXSAKSA-N 328.416 1.851 0 40 EDAB CSc1cccc(N2C[C@H](C(=O)NC(C)(C)C(N)=O)CC2=O)c1 65404225 CWUWFDOSOLZFFN-SNVBAGLBSA-N 335.429 1.142 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2conc2-c2ccc(Cl)cc2)CCO1 521366019 VGYUMJVYSRRTNJ-LBPRGKRZSA-N 336.731 1.921 0 40 EDAB CC(C)(C)NCCNC(=O)C(=O)Nc1cncc(Br)c1 128018456 HMYFIMOYYMNSQS-UHFFFAOYSA-N 343.225 1.287 0 40 EDAB COc1c2c(c(CNC(=O)c3ccco3)c3c1OCO3)CCN(C)C2 524729094 CJZGPIPILPJLRP-UHFFFAOYSA-N 344.367 1.935 0 40 EDAB biogenic CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccccn2)CC1 76324844 IWFGUOBBAPCPGB-UHFFFAOYSA-N 332.492 1.998 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)CN1C(=O)CCOc2ccccc21 31395799 WUTRHRMJWQPJTG-ZDUSSCGKSA-N 328.372 1.204 0 40 EDAB CC1=CCN(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CC1 542121906 QZCLRJZCRWPOBJ-CQSZACIVSA-N 331.420 1.273 0 40 EDAB CC(=O)Nc1ccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1 217348008 VWVXWMBAXJBMSV-WVZRYYJFSA-N 328.324 1.016 0 40 EDAB c1ccc(N2CC[C@@H](NCc3cnc(N4CCOCC4)nc3)C2)cc1 78604213 UBDBJGOPACLZRZ-QGZVFWFLSA-N 339.443 1.682 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1C 41247774 LUABUUIMBABDQB-ZDUSSCGKSA-N 340.445 1.683 0 40 EDAB COC[C@H](C)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 195572812 KZHKHHUMKZSKCY-GFCCVEGCSA-N 348.415 1.554 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 223298721 TYPBXDZBZRSHPR-UHFFFAOYSA-N 346.408 1.298 0 40 EDAB COCc1nn2c(=O)cc(COC(=O)c3ccccc3C)nc2s1 41077315 KKJCWBHWVCKOSC-UHFFFAOYSA-N 345.380 1.963 0 40 EDAB CC(C)COC[C@@H](O)CNc1cnn(Cc2nnc3n2CCCC3)c1 570509790 LADFANPGNPBLGO-HNNXBMFYSA-N 348.451 1.305 0 40 EDAB C[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@@H](C)N1C[C@@H](O)C(F)(F)F 195579037 YNALHFYPTNBIKU-DOLQZWNJSA-N 338.292 1.227 0 40 EDAB Cc1nccn1-c1ccc(=O)n(CCNC(=O)Cc2ccccc2)n1 75163027 QOBWVQFKWJLNHQ-UHFFFAOYSA-N 337.383 1.096 0 40 EDAB CCOC(=O)c1ccc(NC(=O)c2nc(-c3cnccn3)no2)cc1 42381517 MUEMPEXHTNGKMD-UHFFFAOYSA-N 339.311 1.956 0 40 EDAB COCCn1cc2c(n1)[C@H](CNC(=O)c1c(C)noc1C)OCC2 96044321 RVOWIWIBEDQLBI-ZDUSSCGKSA-N 334.376 1.178 0 40 EDAB C[C@H]1CN(Cc2ccccc2CNC(=O)Cn2ccnn2)C[C@H](C)O1 96454918 BDQYCPLLRLONGK-GJZGRUSLSA-N 343.431 1.204 0 40 EDAB COCCNC(=O)[C@H]1c2c(ncn2C)CCN1Cc1ccccc1 96147164 OBRRHHCQDCIGBL-QGZVFWFLSA-N 328.416 1.282 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)C2CCC2)C1 96244464 UQADILRKFDEIMH-GOSISDBHSA-N 330.432 1.651 0 40 EDAB O=C(N[C@H]1CCC[C@@H]1O)c1nn(-c2ccccc2)cc1CCCO 97104323 VVKKYGHJQOZZQO-HOTGVXAUSA-N 329.400 1.440 0 40 EDAB CC(C)N1C[C@@]2(CO[C@@H](C(=O)NCCN(C)C)C2)c2ccccc21 96262825 WMXIOYAYYSNURR-MJGOQNOKSA-N 331.460 1.620 0 40 EDAB COc1cccc(C(=O)N2CCc3ncnc(N(C)C)c3CC2)c1 96255429 USYXFBYZFQVGAY-UHFFFAOYSA-N 326.400 1.792 0 40 EDAB Cc1occc1C(=O)N1CCOC[C@@]2(CCN(C3CCOCC3)C2)C1 96202054 MYISTHCMYSLRKQ-LJQANCHMSA-N 348.443 1.932 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(-c2ccncc2)cc1F 93441242 LZOJKHCCDBKQGU-RDJZCZTQSA-N 330.359 1.996 0 40 EDAB O=C(NCc1cncc2c1CCN([C@@H]1CCOC1)C2)c1ccco1 96067427 DNPWHCZEQLADHE-OAHLLOKOSA-N 327.384 1.752 0 40 EDAB O=C(NCc1cccs1)[C@H]1CO[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96216787 WDGVLCVALDNVHJ-IXDOHACOSA-N 343.452 1.906 0 40 EDAB Cc1cc(C)n(C[C@H](C)NCc2cnc(N3CCN(C)CC3)nc2)n1 95416627 VAQVCOKWKZSSCX-HNNXBMFYSA-N 343.479 1.220 0 40 EDAB O=C(CCn1ncc2ccc(Cl)cc21)NCCN1CCOCC1 96181978 QRIBKBJUQUSJKC-UHFFFAOYSA-N 336.823 1.528 0 40 EDAB Cc1ccc(N2CCC3(CC2)[C@@H](c2cnn(C)c2)CC(=O)N3C)nn1 96199852 UVPQAXUCDRENMV-OAHLLOKOSA-N 340.431 1.503 0 40 EDAB O=C(C1CCC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCCCn1cccn1 96041853 CZGWRUXLMWPLQC-GVDBMIGSSA-N 333.432 1.848 0 40 EDAB Cn1cncc1[C@H]1C[C@@H](NC(=O)c2ccn3cncc3c2)CCO1 583615969 YNKSJCRFXNUTOV-XJKSGUPXSA-N 325.372 1.718 0 40 EDAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCc1cccnc1-n1cccn1 96421462 FGRZEFTWYDEFJD-ZNMIVQPWSA-N 341.415 1.880 0 40 EDAB CN(c1ncccn1)[C@@H]1CO[C@@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 248015132 CUKMEJGCJFECBT-GUYCJALGSA-N 327.388 1.315 0 40 EDAB CCn1nccc1-c1cnc(C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 257343508 ZTHIRNRLRQBSRI-LBPRGKRZSA-N 335.433 1.184 0 40 EDAB O=C(NCCN1CCC2(C1)OCCO2)c1cc(F)c(F)c(F)c1F 585127768 IVIFBQKPMGBZLA-UHFFFAOYSA-N 348.296 1.422 0 40 EDAB CC[C@@H](Sc1ccccc1)C(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1 585124353 JTONHKVRHLVNJD-RBSFLKMASA-N 332.429 1.593 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CN3CCCC3)CCO2)n1 257282126 OSKHJDMGSPUVKY-KRWDZBQOSA-N 332.448 1.452 0 40 EDAB Cc1ccn(CCC(=O)NCc2nccnc2C2CCN(C)CC2)n1 257225543 FGRJAIMPOLTFKA-UHFFFAOYSA-N 342.447 1.497 0 40 EDAB Cc1nc(CC(=O)N2CCC[C@@H](Cc3nccnc3N)C2)cs1 257320533 VXFNOAFJHHHLEK-LBPRGKRZSA-N 331.445 1.848 0 40 EDAB O=C(C1CC1)N1CC[C@@](O)(CN2CCN(c3ccccc3)CC2)C1 257341593 ZKZIOBMOMWNIDB-LJQANCHMSA-N 329.444 1.182 0 40 EDAB CN(C(=O)CCN1CCOCC1)[C@H]1CCCN(c2ccccn2)C1 257327999 XDSYUMADCIFJHQ-INIZCTEOSA-N 332.448 1.231 0 40 EDAB CCc1noc(C)c1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257344404 ZXBMOHDWBULKLC-HUUCEWRRSA-N 334.347 1.949 0 40 EDAB COc1cccc(/C=C\C(=O)NCc2nnc3ccc(OC)nn23)c1 253474302 DYOCZKUBXIXJOV-VURMDHGXSA-N 339.355 1.471 0 40 EDAB Cc1cc([C@H]2CN(S(=O)(=O)C3CCCC3)CCO2)nc(C)n1 257344895 ZZBLLNISIRHGKS-OAHLLOKOSA-N 325.434 1.739 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccncc2)C1 257304895 SNOGFFMUPXCXJR-LBPRGKRZSA-N 348.428 1.303 0 40 EDAB O=C(CCc1cccc(F)c1)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257229158 FWXFGKFFVTVQIO-JFIYKMOQSA-N 336.407 1.099 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257219825 DIHWKMJHWNRWDJ-MRXNPFEDSA-N 343.431 1.724 0 40 EDAB COCCN(C)C[C@@H](O)CN[C@@H]1CCCN(c2cccc(F)c2)C1 1615588437 PUAGYMFNWROBHX-AEFFLSMTSA-N 339.455 1.323 0 40 EDAB O=C1CN(CC(=O)Nc2cccc([C@@H](F)C(F)(F)F)c2)CCN1 1615586905 RZKQRONIIKAOFT-CYBMUJFWSA-N 333.285 1.630 0 40 EDAB CCOC(=O)CCN(C)C(=O)c1c(O)ncc(Br)c1C 600859848 NLSOAQIFOGQUQD-UHFFFAOYSA-N 345.193 1.883 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@H](C(=O)NCC2CCOCC2)C1 575404307 LKIOPSMGICHQED-HNNXBMFYSA-N 334.420 1.109 0 40 EDAB O=C(C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NCc1ccco1 575406744 RRXQGJDAHQWCTO-HNNXBMFYSA-N 342.399 1.866 0 40 EDAB C[C@@H]1CN(C(=O)NC[C@H](C(=O)O)C2CCC2)C[C@@](C)(C(F)F)O1 665317270 ZWEBINAOVBEWHG-VPJDZLOFSA-N 334.363 1.941 0 40 EDAB Cc1cc(OC[C@]2(O)COCCN(C3CCOCC3)C2)ccc1F 585284153 VLDGWAASUSMFPY-GOSISDBHSA-N 339.407 1.755 0 40 EDAB COc1ncc(C(=O)N2CC[C@](O)(COc3ccccc3)C2)cn1 585277534 WGSXMYLLSAVRIB-QGZVFWFLSA-N 329.356 1.141 0 40 EDAB O=C(c1ccccc1)N1CCC2(CC1)CO[C@H](CN1CC[C@H](O)C1)C2 585103125 DJOFRACYYHXCQL-ROUUACIJSA-N 344.455 1.765 0 40 EDAB CCOc1ccc(CCC(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2O)cc1 585285640 PUNJZWDDGUDNBB-KYJSFNMBSA-N 337.416 1.156 0 40 EDAB O=C(CCc1ccccc1)N1CC[C@](O)(CN2CCCCC2)[C@@H](O)C1 585283810 HVRPHSWSIAFKPQ-ICSRJNTNSA-N 346.471 1.429 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2ccc3oc(C)cc3c2)C[C@@H]1OC 585279633 WLAPOIUKOUXLEA-HOCLYGCPSA-N 330.384 1.964 0 40 EDAB COCCCNC(=O)CN(C)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 53141839 GXRGPPLZEQDUBS-INIZCTEOSA-N 349.475 1.565 0 40 EDAB C[C@H](O)CN(CCNS(=O)(=O)c1ccccc1)c1ccccc1 65497659 YBVRYUGBZIYRSY-HNNXBMFYSA-N 334.441 1.852 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)C1CCN(c2ncccn2)CC1 65477799 ZPEJAQKRIOILSZ-AWEZNQCLSA-N 326.404 1.021 0 40 EDAB CCN(Cc1cnn(C)c1)C(=O)c1ccc(N2CCNC2=O)c(C)c1 65907591 NSEDTMJPFZCLPU-UHFFFAOYSA-N 341.415 1.920 0 40 EDAB Cc1cc(N2CC3(C[C@@H](O)CNC3=O)C2)nc(-c2cccs2)n1 1548522921 GWAVZUWTKWGHPP-LLVKDONJSA-N 330.413 1.201 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)c1 69350883 LVKRDYPYPVIRJA-KRWDZBQOSA-N 347.459 1.249 0 40 EDAB Cc1nnc2ccc(N3CCCN(C(=O)c4ccncc4)CC3)nn12 77304908 AXVIYYNOXVMGCY-UHFFFAOYSA-N 337.387 1.180 0 40 EDAB CCN(C)C[C@@H](O)CN1CCc2c(ncn2-c2ccc(F)cc2)C1 579728465 KTXNRZGYKPFZQQ-MRXNPFEDSA-N 332.423 1.682 0 40 EDAB CC(C)(C)c1ccc(NC(=O)N2CC(N3C(=O)CNC3=O)C2)cc1 585330566 HBYSMSRWTXWSJD-UHFFFAOYSA-N 330.388 1.752 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(c2cncc(Br)c2)C1 97103041 RWSKCUOLTABOLV-SNVBAGLBSA-N 334.239 1.362 0 40 EDAB O=C(O)[C@H](F)[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCC3)C1 1614994395 LPNYJJRINQUXGA-ZYHUDNBSSA-N 329.349 1.055 0 40 EDAB O=C(CN1C(=O)CCC1=O)NCC1(c2ccsc2)CCOCC1 952987229 TYJQLGJUDCJCQI-UHFFFAOYSA-N 336.413 1.062 0 40 EDAB COC1CN(C(=O)[C@@H]2CN(CC3CC3)[C@H]3c4ccccc4OC[C@@H]23)C1 1772596030 ZWMRQLGZKYYLSX-AOIWGVFYSA-N 342.439 1.935 0 40 EDAB Cn1cc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)cn1 12852525 CYYCRSYHRHKIOX-UHFFFAOYSA-N 346.362 1.065 0 40 EDAB COc1cc(CN2C[C@H]3CCCN3C[C@@H]2CCO)cc2c1OCO2 19549953 UEECCXSPMXOWMC-CABCVRRESA-N 334.416 1.455 0 40 EDAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H](c2cnccn2)C1 19572154 HRUZIFLWUNRSCK-AWEZNQCLSA-N 326.400 1.812 0 40 EDAB COCC(=O)N1CCCc2ccc(NC(=O)NC[C@H]3CCCO3)cc21 225550534 BZYXYPXVZAJFGA-OAHLLOKOSA-N 347.415 1.913 0 40 EDAB C[C@@H](C(=O)N1CCc2sccc2C1)n1nc2c(cc1=O)CCC2 585150612 XYQPFTQQQKMQGR-NSHDSACASA-N 329.425 1.939 0 40 EDAB O=C(NCCOc1cccc(F)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 27719968 SVYYBNBVHZDCMM-CYBMUJFWSA-N 346.358 1.962 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)c2cc(OC)c(OC)cc2F)CCO1 28036053 MKIRIEMAQIUADT-SNVBAGLBSA-N 333.381 1.642 0 40 EDAB CCOCC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037839764 CNXJQEFYDBGXNN-GOSISDBHSA-N 332.400 1.448 0 40 EDAB O=C(c1cc(C2CC2)on1)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCCC2)C1 1565546973 CPZVPCXCHJWESI-DVOMOZLQSA-N 345.399 1.404 0 40 EDAB CC(=O)Nc1nnc(SCC(=O)Nc2nnc(C)s2)s1 3912174 FNUUPWDXLALGHI-UHFFFAOYSA-N 330.420 1.387 0 40 EDAB CC(C)CCNC(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5201493 OZPSTMCHWXRHOF-ZDUSSCGKSA-N 347.415 1.908 0 40 EDAB Cc1cc(-c2nnc(NC(=O)c3ccc4c(c3)OCCO4)o2)n(C)n1 13614641 ZFWXQUGWAUOSCN-UHFFFAOYSA-N 341.327 1.802 0 40 EDAB CN(C)CCN[C@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O 22593059 ITEPFKRQJGADJK-MRXNPFEDSA-N 329.400 1.773 0 40 EDAB Cc1ccc(-n2ccn(CC(=O)NCc3ccco3)c(=O)c2=O)cc1 22723743 YJVSATWHIMEYLH-UHFFFAOYSA-N 339.351 1.217 0 40 EDAB O=C(NCc1ccco1)C(=O)NC[C@@H](c1ccsc1)n1cccn1 575614354 QSJCJLUWRPPDAD-AWEZNQCLSA-N 344.396 1.560 0 40 EDAB COC[C@@](C)(CNS(=O)(=O)Cc1noc2ccccc12)OC 575614031 ZKKYWTZLYYPKSW-CQSZACIVSA-N 328.390 1.299 0 40 EDAB CCOc1ccc(C(=O)NCCn2nc(C3CC3)ccc2=O)cn1 585149985 UTFXIHFXUPFRPR-UHFFFAOYSA-N 328.372 1.344 0 40 EDAB O=C(c1ccc(C(F)(F)F)cc1)N1CC(N2C(=O)[C@@H]3C[C@H]3C2=O)C1 585388757 YKKFTIUWNSRAAF-VXGBXAGGSA-N 338.285 1.535 0 40 EDAB CN(C)C(=O)N1CCC(CNS(=O)(=O)c2cccs2)CC1 390829741 GGRNZVDCZLMOLS-UHFFFAOYSA-N 331.463 1.420 0 40 EDAB CC(=O)Nc1nc(CN2CCN(C(=O)c3ccco3)CC2)cs1 30145713 MNKSOLNAQKAHBC-UHFFFAOYSA-N 334.401 1.653 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccccc2F)C1 40496269 HVEDPDNXVYJNBQ-CYBMUJFWSA-N 328.409 1.156 0 40 EDAB COc1cc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc(OC)c1 11049429 CZACPSAJBUUQSS-UHFFFAOYSA-N 346.387 1.427 0 40 EDAB CCc1nnsc1C(=O)NC[C@H](O)c1cc(OC)ccc1OC 31330527 MLDACSMMZQMTND-LBPRGKRZSA-N 337.401 1.581 0 40 EDAB C[C@H](NC(=O)CS(=O)(=O)c1nncn1C)c1ccccc1Cl 40539974 LCURPHZENWSAGN-VIFPVBQESA-N 342.808 1.120 0 40 EDAB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)N1CCN(C=O)CC1 40555888 MEWUKGUWTJRBNH-MRXNPFEDSA-N 337.445 1.015 0 40 EDAB O=C(NCCc1ccccc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 51190016 FBCJIRBFQYAPLU-KRWDZBQOSA-N 345.443 1.510 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)N1CCN(C[C@@H]2CCCO2)CC1 59320246 SLYWYNRRTGKOGQ-DLBZAZTESA-N 345.443 1.496 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3cn(-c4ccccc4)nn3)CCO2)c1 69436232 PJELGVSRWBFTES-SFHVURJKSA-N 338.415 1.673 0 40 EDAB Cc1cccc([C@H](CNC(=O)c2ccc[nH]c2=O)N2CCOCC2)c1 31996136 ALEJNGYZRBMKRS-KRWDZBQOSA-N 341.411 1.487 0 40 EDAB O=C(CN1C(=O)COc2cc(Br)ccc21)N1CCC1 32047573 GCUVMZUMPOGRBB-UHFFFAOYSA-N 325.162 1.407 0 40 EDAB O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccco1 200607 NYPKHFYBCZSTIJ-UHFFFAOYSA-N 333.369 1.441 0 40 EDAB O=C(OC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 45838553 JUNBHMSVOWZMAL-YPMHNXCESA-N 333.340 1.490 0 40 EDAB Cc1cnc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cn1 6350431 KVIFBXWEYVFGMP-UHFFFAOYSA-N 327.296 1.156 0 40 EDAB C[C@@H](C(=O)NCc1ccc(N2CCCCCC2)nc1)n1cncn1 40541572 WYUFRDDKLMRFCF-AWEZNQCLSA-N 328.420 1.931 0 40 EDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(CCCS(C)(=O)=O)CC1 69419306 JQDNKZOMOWPPER-LBPRGKRZSA-N 342.465 1.060 0 40 EDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1cc2ccccc2o1 46051532 YZZKQJBOMJHOCT-CVEARBPZSA-N 344.411 1.900 0 40 EDAB CN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1cnn(C)c1 32540069 CJZXFDPRCVMDFZ-UHFFFAOYSA-N 329.404 1.192 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 32690574 JEZBPDMJEIGHSW-OAHLLOKOSA-N 340.431 1.470 0 40 EDAB CCc1ccc([C@H](CNc2nc3c(cnn3C)c(=O)[nH]2)N(C)C)cc1 60381206 CWJOQJKXBNRRAL-HNNXBMFYSA-N 340.431 1.934 0 40 EDAB OCCNc1nc2ccccc2n1C[C@@H](O)COCc1ccco1 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CCOC(=O)N1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 36140891 JIYBIWPRHLKYEL-UHFFFAOYSA-N 345.399 1.728 0 40 EDAB CNc1ncc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 218761977 LGXGPDAATDLTGR-HNNXBMFYSA-N 325.372 1.785 0 40 EDAB Cc1ccc(=O)n(Cc2nc(-c3ccc(S(C)(=O)=O)cc3)no2)n1 78774914 OTTLUJIQSFPATR-UHFFFAOYSA-N 346.368 1.054 0 40 EDAB NCC(=O)N(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 79392987 YNKOXGZPALGJEK-HNNXBMFYSA-N 331.416 1.595 0 40 EDAB O=S(=O)(CCC(F)(F)F)NC[C@]1(O)CCCc2occc21 1565522139 JDWMSFBNAHHFAL-LLVKDONJSA-N 327.324 1.675 0 40 EDAB O=C(COc1ccc2nsnc2c1)NCc1cc(C2CC2)[nH]n1 36740683 ANRBUXUYSSUHIE-UHFFFAOYSA-N 329.385 1.987 0 40 EDAB CC(=O)N1CCC[C@](O)(CN2CCC(c3nccc(C)n3)CC2)CC1 72367440 AMKLRDNUEYEHPF-LJQANCHMSA-N 346.475 1.728 0 40 EDAB CCC(=O)N1CCN(c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)CC1 72228518 LKBUYIKDCNUIEZ-CYBMUJFWSA-N 345.399 1.183 0 40 EDAB CCC[C@H](C)Nc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O 217595605 UJNKWQFHCCRYME-NSHDSACASA-N 344.433 1.646 0 40 EDAB c1ccc(CN2CCO[C@@H]3CN(c4ncnc5[nH]ncc45)C[C@H]32)cc1 195539281 YMVFTXKUXICNHZ-HZPDHXFCSA-N 336.399 1.443 0 40 EDAB CC(C)c1ccccc1NC(=O)C(=O)NCCCN1CCOCC1 42646494 PLAUMMWEDAEXTC-UHFFFAOYSA-N 333.432 1.587 0 40 EDAB CO[C@H](C)c1nsc(N2CCN(c3c(N)c(C)nn3C)CC2)n1 225750980 RBMGFKHTUXBDBV-SNVBAGLBSA-N 337.453 1.196 0 40 EDAB C[C@@H]1CN(C(=O)N[C@H](C)CCc2cccn2C)CCS(=O)(=O)C1 192188929 MBTWZLKJJWOUCA-ZIAGYGMSSA-N 341.477 1.422 0 40 EDAB CCc1onc(C)c1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 195567381 KKQAFRQDZMWIDR-ZDUSSCGKSA-N 334.420 1.100 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2ccc(OCC3CC3)cc2)C1 191232276 BCXGXRMDMXRGLF-MRXNPFEDSA-N 338.473 1.989 0 40 EDAB CCNC(=O)c1ccc(NC(=O)N2CCCN(CC)C(=O)C2)c(C)c1 191301756 UQQSHSDKVYIOKH-UHFFFAOYSA-N 346.431 1.831 0 40 EDAB COc1ccc(-n2cnc(C(=O)NCc3cc(C)nn3C)c2)cc1 226753337 TUPMHRJKJBJFGI-UHFFFAOYSA-N 325.372 1.853 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3C(=O)N(Cc4cccnc4)CC[C@H]3C2)[nH]n1 96249070 KHBSBSXYWHYWMG-LSDHHAIUSA-N 339.399 1.234 0 40 EDAB O=C(Cn1ccnn1)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 93245761 CKUVJWMAKLYYGI-OLZOCXBDSA-N 340.305 1.631 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4cnccn4)C[C@H]3C2)cs1 96053965 PYLDFLCJDQXDSR-BETUJISGSA-N 329.429 1.446 0 40 EDAB CN1C(=O)CC[C@]12CCCN(S(=O)(=O)Cc1ccccc1)CC2 96217638 FSLFWPGRLIVXHX-KRWDZBQOSA-N 336.457 1.993 0 40 EDAB c1ccc(COC[C@H]2CN([C@@H]3CCOC3)Cc3nccn3C2)nc1 96188138 NNPROJCPTNVQQQ-NVXWUHKLSA-N 328.416 1.716 0 40 EDAB COc1cc(N2CC[C@H]3C[C@@H](c4ccnc(C)n4)O[C@@H]3C2)ncn1 96046359 WOMUSDWSPLAPID-AEGPPILISA-N 327.388 1.940 0 40 EDAB O=C(NCc1cccnc1)N1CC[C@]2(C[C@@H]2C(=O)N2CCCC2)C1 96075008 CWINLSPMFBUNBM-QAPCUYQASA-N 328.416 1.626 0 40 EDAB CC(C)OC(=O)[C@H]1[C@@H](c2cccc(O)c2)c2c(O)n[nH]c2C[C@@]1(C)O 95101357 DNCJJLVEVNKBAQ-JCKWVBRZSA-N 346.383 1.828 0 40 EDAB CCCCNC(=O)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96192188 MJFXYVMKFPTCIK-SNVBAGLBSA-N 332.326 1.715 0 40 EDAB CN(C)C(=O)CO[C@@H]1CO[C@@]2(CCCN(Cc3ccsc3)C2)C1 96206978 ZZABWWQJYGXIOK-RDJZCZTQSA-N 338.473 1.976 0 40 EDAB O=C(N1CCCC1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 96249694 ZDMWFOQQTPQJKS-QZTJIDSGSA-N 344.459 1.820 0 40 EDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)CC3CC3)C2)C1 96225033 PTBBPPCAZOBFIQ-SFHVURJKSA-N 342.399 1.958 0 40 EDAB Cc1cccc(CN2C[C@@H]3CN(C(=O)c4ccnn4C)C[C@@H]3C2=O)c1 96245281 FFXFOGFXNNKAAA-CVEARBPZSA-N 338.411 1.459 0 40 EDAB c1cnc(N2CCOC[C@@]3(CCCN(CC4CCOCC4)C3)C2)cn1 96049654 LZSBPLKZQWQJSZ-LJQANCHMSA-N 346.475 1.822 0 40 EDAB CN(Cc1cncnc1)Cc1cn2c(n1)CN(Cc1ccccn1)CC2 96068077 VJMGTAGKMVZZHS-UHFFFAOYSA-N 349.442 1.716 0 40 EDAB C[S@@](=O)CCNC(=O)c1cn(-c2cccc(Cl)c2F)nn1 96494148 QFODMKVGOWAPCC-NRFANRHFSA-N 330.772 1.168 0 40 EDAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3cccnc3)CC[C@@H]21 96185647 PUJSWKMAORKMHL-SQNIBIBYSA-N 340.431 1.185 0 40 EDAB Cn1cccc1C(=O)N1CC[C@H]2[C@@H](CNc3ncccn3)OC[C@H]2C1 96187348 WHWZFYAHTAMBEH-IIAWOOMASA-N 341.415 1.404 0 40 EDAB O=C(c1ccno1)N1CC[C@@H]2O[C@@H](COCCN3CCCC3)CC[C@@H]21 96186706 OSHQIIIQTMFWIU-PMPSAXMXSA-N 349.431 1.549 0 40 EDAB O[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1nnc(C2CC2)n1C1CC1 583278550 FXTJSRSPIQLRLL-BZUAXINKSA-N 332.448 1.852 0 40 EDAB Cc1ncoc1C(=O)N1CC2(C[C@@H](Oc3cccnc3)CCO2)C1 248028118 KWDDRMJVRZQSQR-ZDUSSCGKSA-N 329.356 1.831 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 247809072 DEFCQKCPAFYWRR-AWEZNQCLSA-N 349.456 1.620 0 40 EDAB Cc1cc2nc([C@@H]3CCCCN3CC3(O)CCOCC3)cc(O)n2n1 257330828 XQFNUPKRQVZFNK-HNNXBMFYSA-N 346.431 1.812 0 40 EDAB C[C@@H]1COCC[C@H]1S(=O)(=O)NCc1noc(-c2cccs2)n1 583651526 NWFFIVMTLJVGCN-MWLCHTKSSA-N 343.430 1.643 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2csc(-c3ccc(F)cc3)n2)CCO1 583650644 XVZUBWSKYMNQEA-LBPRGKRZSA-N 336.344 1.875 0 40 EDAB Cc1cc(OCC(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)c2ccccc2n1 257280210 OJYPSLIFHDZHDJ-GPMSIDNRSA-N 344.411 1.655 0 40 EDAB C[C@@H]1CN(CCN(Cc2ccccc2)S(C)(=O)=O)CC[C@H]1O 252527845 DMKDPPMSNMKNSM-GDBMZVCRSA-N 326.462 1.151 0 40 EDAB NC(=O)c1sc2nccnc2c1[C@@H]1CCN(c2ncccn2)C1 257260288 LCENCFWYCWGTBP-SECBINFHSA-N 326.385 1.574 0 40 EDAB CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2cncs2)C[C@H]1O 257274346 NKQADXAJPBTMAA-ZIAGYGMSSA-N 332.429 1.246 0 40 EDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ccc(Cl)cc1 257336405 YOGFOVNVYAMSNO-MRXNPFEDSA-N 330.775 1.747 0 40 EDAB Cc1n[nH]cc1CN1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 257318258 VNCYBOUCMCHFIX-IAGOWNOFSA-N 326.400 1.330 0 40 EDAB CCn1cc(C(=O)N2CCC[C@H]2c2ccc(CNC(C)=O)cn2)cn1 257303716 SIKSNGOIAAOQHO-KRWDZBQOSA-N 341.415 1.911 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCO[C@H](c3ccncc3)C2)ccn1 257239351 HOXYMVPBGQPOJV-HNNXBMFYSA-N 326.356 1.649 0 40 EDAB Cc1c(CNC(=O)c2cccc(S(=O)(=O)C(F)F)c2)cnn1C 585087376 CIHDUWBKUJBRTK-UHFFFAOYSA-N 343.355 1.655 0 40 EDAB Cc1nccc(C(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)n1 257288964 PWLBYHXNYPXRMY-QGZVFWFLSA-N 327.388 1.921 0 40 EDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCc2nccc(N)c2C1 585137935 BREFGTOIGJVEFA-UHFFFAOYSA-N 349.460 1.805 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)s1 257258122 KSMCNIMLJXBGRT-KRWDZBQOSA-N 346.456 1.950 0 40 EDAB CN(C)c1ccc([C@@H](O)CNC(=O)C(=O)NCc2ccccc2)cc1 90611900 MPLZJKJYYJVYOC-KRWDZBQOSA-N 341.411 1.219 0 40 EDAB COCCn1nc(C)c(Nc2cc(C)nc(S(C)(=O)=O)n2)c1C 1615585797 LNWMSVLIUKRGCG-UHFFFAOYSA-N 339.421 1.392 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](C(=O)NCc2cccs2)C1 575406017 WQOSCJWVAKVRRW-UGFHNGPFSA-N 344.440 1.800 0 40 EDAB CC(C)CC(=O)N1CC2(C1)CN(C)[C@H](C(=O)NC1CCCC1)CO2 575403187 FKYZPBPBKKNNPP-HNNXBMFYSA-N 337.464 1.003 0 40 EDAB CCn1ccc(NS(=O)(=O)c2ccc(OC)c(CC(=O)O)c2)n1 656635257 SSALIUQVMLWPKC-UHFFFAOYSA-N 339.373 1.340 0 40 EDAB O=S1(=O)C=C[C@H](NC(=S)Nc2nc3ccccc3s2)C1 575424443 LGFPYPLPINRADK-QMMMGPOBSA-N 325.440 1.893 0 40 EDAB CO[C@@H]1CCN(Cc2ccccn2)C[C@H]1CC(=O)N1CCOCC1 585273797 FAMYSQDWYNQBMR-NVXWUHKLSA-N 333.432 1.167 0 40 EDAB Cc1cc(C)n(-c2ccc(CC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)n1 44939311 PREJAZOXLMZPLB-OAHLLOKOSA-N 347.440 1.335 0 40 EDAB C[C@@H](NC(N)=O)C(=O)N(Cc1ccccc1Br)C1CC1 55992382 LPKYEESADMEUOY-SECBINFHSA-N 340.221 1.997 0 40 EDAB C[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)N1CCNC1=O 56186181 FIBYIDZTFLPJEM-WFASDCNBSA-N 333.388 1.597 0 40 EDAB NC(=O)NCc1ccc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 56951723 CZJGWWKHECEMNE-OAHLLOKOSA-N 343.387 1.483 0 40 EDAB Cc1ccc(-c2nnn(CC(=O)NC[C@H]3CCN(C4CC4)C3)n2)cc1 101684974 WHGPRNBGJGXCAB-CQSZACIVSA-N 340.431 1.249 0 40 EDAB COc1cc(N2CCN(c3nccn4nc(C)cc34)CC2)ncn1 302346563 AKYKSRAKZIYGNM-UHFFFAOYSA-N 325.376 1.163 0 40 EDAB O=C([C@H]1C[C@H]2CC[C@H]1O2)N1CCN(CCOc2ccccc2)CC1 107352409 FBKWPKKWKBXDAL-FGTMMUONSA-N 330.428 1.777 0 40 EDAB CC(C)(C)[C@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)O 95424670 RDZAYPLDQZSLLT-CQSZACIVSA-N 347.346 1.601 0 40 EDAB C[C@H](CCc1ccccc1F)C(=O)N[C@@H]1CCCN(CC(N)=O)C1 80243035 WANQOHOIPIDGKY-UKRRQHHQSA-N 335.423 1.460 0 40 EDAB Cc1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1 758144071 RESDVUAFSDHTFH-UHFFFAOYSA-N 343.412 1.056 0 40 EDAB CCc1cc(C(=O)N[C@@H]2COc3c(OC)cccc3C2=O)cc(O)n1 1614680880 GSGOBISFQNXOMX-CYBMUJFWSA-N 342.351 1.732 0 40 EDAB CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC 5706984 UWSBHANFDSGKMN-AWEZNQCLSA-N 336.388 1.761 0 40 EDAB CC(C)(C)n1cc2c(n1)[C@H]1CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]1CC2 19084881 WJOFRXQUMXLBJJ-YPMHNXCESA-N 341.415 1.523 0 40 EDAB COC(=O)[C@]1(NC(=O)C(F)F)CCCN(Cc2ccccc2)C1 585079541 QXTHPYRLLJTVSO-INIZCTEOSA-N 326.343 1.576 0 40 EDAB O=C(Cn1c(NCCO)nc2ccccc21)NCCc1ccccc1 2664556 QOQDAJGUBDPEHZ-UHFFFAOYSA-N 338.411 1.799 0 40 EDAB Cc1cc(N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)n2ncnc2n1 1888890383 IUAABKAJKVLKNG-KBPBESRZSA-N 348.366 1.059 0 40 EDAB O=C([C@H]1CN(c2nccc(C(F)(F)F)n2)CCO1)N1CCCC1 1889095480 KSLKBOSFHMDIJX-SNVBAGLBSA-N 330.310 1.323 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1CCn1c(=O)oc2ccccc21 26011442 OLIZSUFSZRJOPG-OAHLLOKOSA-N 333.369 1.022 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)C5CCC5)C[C@H]4C3)ncnc21 1065950405 LRLUSDRKRLBALQ-BETUJISGSA-N 326.404 1.058 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](Oc2ccccn2)C1 238821202 CRPLBKNYXYPJNV-CYBMUJFWSA-N 336.417 1.274 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N1CC(Oc2cccnc2)C1 238965592 YXOHIYWMUJLLOU-UHFFFAOYSA-N 338.360 1.681 0 40 EDAB COCC(=O)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037984272 VWVUHVOBPWCYHJ-GOSISDBHSA-N 332.400 1.448 0 40 EDAB C[C@]1(C(=O)N2CCC3(CC(NS(C)(=O)=O)C3)C2)CC=CCC1 1614935069 OGFRXIYTCSGRGU-SIWZUTFBSA-N 326.462 1.663 0 40 EDAB COc1cnccc1C(=O)N1CC[C@H](OC)[C@@H]1Cc1cnn(C)c1 1565553139 LNBOHLQMXFANIQ-GJZGRUSLSA-N 330.388 1.296 0 40 EDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCC)cc1 4784585 GTYAFBVRAPDKTJ-AWEZNQCLSA-N 329.360 1.924 0 40 EDAB COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3CCCO3)n2)cc1 5388938 XIOUOTBBMBZMJB-OAHLLOKOSA-N 343.383 1.214 0 40 EDAB Cc1nn(Cc2noc(C(=O)NC[C@@H]3CCCO3)n2)c(C)c1Cl 15082711 WWGFHGQGRSJKCX-JTQLQIEISA-N 339.783 1.493 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@H](O)c1ccc(-c2cccs2)o1 1775967215 IULZGPIXTJWBLX-JTQLQIEISA-N 348.380 1.307 0 40 EDAB CC(=O)OC(C)(C)C(=O)N1CCC[C@@H](Oc2ncc(F)cn2)C1 585147244 GGCKFGNPSCUTOM-GFCCVEGCSA-N 325.340 1.327 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)c1 618255539 DZPBFUOJTXGJQN-AWEZNQCLSA-N 347.396 1.692 0 40 EDAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4nnc[nH]4)ccc1c23 8715867 TXRZKAJDVBNIQG-UHFFFAOYSA-N 329.341 1.349 0 40 EDAB CC1(C)[C@H]2CN(C(=O)NC3CCN(CC(=O)N4CCCC4)CC3)C[C@@H]21 104187447 XHPQGJIIZRZLGG-HOTGVXAUSA-N 348.491 1.371 0 40 EDAB C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 55175487 SDQSEVYKLUFGII-GFCCVEGCSA-N 346.408 1.927 0 40 EDAB CCn1c(SCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 415359 XCMKFFCNRRQXSJ-UHFFFAOYSA-N 344.440 1.788 0 40 EDAB COc1ccc(NC(=O)CN(C)CCC(=O)Nc2cc(C)on2)cc1 31172293 BVBKOHFSZKMWPR-UHFFFAOYSA-N 346.387 1.891 0 40 EDAB Cc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 491557 CPQITBDBKBUWFT-UHFFFAOYSA-N 349.437 1.769 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNc1cc(Cl)nc(N)n1 40497784 RJLZXGOWVFLEFF-UHFFFAOYSA-N 341.824 1.575 0 40 EDAB C[C@@H](NC(=O)NC1CCN(CC(N)=O)CC1)c1cc2ccccc2o1 45607991 YMSIZADJFOQHOI-GFCCVEGCSA-N 344.415 1.743 0 40 EDAB CN(CCN1CCOCC1)C(=O)Cc1ccc(OC(F)(F)F)cc1 69443277 FJPBFEWBGKQWSH-UHFFFAOYSA-N 346.349 1.918 0 40 EDAB O=C(NCCOc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 31288041 JPIXQPTXUDWZEC-ZDUSSCGKSA-N 346.358 1.962 0 40 EDAB CCOc1cc(CNC(=O)N2CCN(c3ncccn3)CC2)ccn1 59304528 OMMUZGKGFWGSMC-UHFFFAOYSA-N 342.403 1.302 0 40 EDAB COc1ccccc1CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 40549296 RFCYLDYJWKAOPT-HNNXBMFYSA-N 341.415 1.953 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H](NC(N)=O)C(C)C)cn2)n1 40529416 YNVIQHLBKMYHJT-AWEZNQCLSA-N 330.392 1.516 0 40 EDAB CC(C)C[C@H]1NC(=O)[C@@H]2C[C@@H](NC(=O)C3CCCCC3)CCN2C1=O 3841183 VLZRQGSMTGIWRF-XHSDSOJGSA-N 349.475 1.587 0 40 EDAB biogenic,in-vitro C[C@@H](NC(=O)c1ccoc1)c1ccc(-n2cc(C(N)=O)nn2)cc1 45790112 WVBDIMOHOOKIMH-SNVBAGLBSA-N 325.328 1.450 0 40 EDAB CC(C)OCCCNC(=O)C(=O)NCCc1c[nH]c2ccccc12 6159873 DRVUZZPQLVPRJB-UHFFFAOYSA-N 331.416 1.758 0 40 EDAB CCOc1cc([C@H]2C=C(C(=O)O)Nc3nnnn32)cc(Cl)c1O 101675718 MRVCVRKBPPTOEN-SECBINFHSA-N 337.723 1.414 0 40 EDAB Cc1cccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)n1 29437812 KHVBNDSPTMTSBH-AWEZNQCLSA-N 341.346 1.588 0 40 EDAB Cc1cc(CC(=O)NC[C@H](O)c2ccc(OC(F)F)cc2)n[nH]1 89599144 XQXOBDILIVXMBV-ZDUSSCGKSA-N 325.315 1.712 0 40 EDAB O=C(CNC1(c2ccc(Cl)cc2)CCOCC1)N1CCOCC1 75134409 KKOWUYBKOITFKG-UHFFFAOYSA-N 338.835 1.794 0 40 EDAB CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)CC(C)(C)C)cc1 75140442 VOXWCKFPUWGANN-CYBMUJFWSA-N 342.461 1.512 0 40 EDAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(Cn3cncn3)cc2)[C@H]2C=C[C@H]1C2 102345953 BOLJWIFFLMICBP-SDADXPQNSA-N 338.367 1.788 0 40 EDAB O=C(CCNS(=O)(=O)c1ccccc1F)NCc1ccoc1 53020330 NKUIQTIJZUYFOL-UHFFFAOYSA-N 326.349 1.404 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 41618456 DURAIBQOBLCEEE-GFCCVEGCSA-N 336.413 1.834 0 40 EDAB CC(=O)Nc1ccc(SCC(=O)N2CCC(C(N)=O)CC2)cc1 22407385 ACXFMAXKDXKZDT-UHFFFAOYSA-N 335.429 1.461 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 42367373 ICHLBNXCFUIKOW-CHWSQXEVSA-N 330.363 1.580 0 40 EDAB Cn1ncc2c(=O)[nH]c(CN3CCO[C@@H](c4ccc(F)cc4)C3)nc21 54418122 FQLVYLJNYMRUGN-CQSZACIVSA-N 343.362 1.369 0 40 EDAB CCc1nnsc1C(=O)NCc1ccc(Cn2cncn2)cc1 54485277 TYGIRYPLMBITGJ-UHFFFAOYSA-N 328.401 1.670 0 40 EDAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[C@@H]1NC(=O)NC1=O 42815769 CPRGONZIDGNHGX-WPRPVWTQSA-N 332.385 1.414 0 40 EDAB CN(C(=O)CN1CCC[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 21417226 VQGOSBZPAQZKII-JKSUJKDBSA-N 336.457 1.469 0 40 EDAB Cc1cccnc1NC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 43160381 DOCGFGMJBTWMJA-LLVKDONJSA-N 334.401 1.920 0 40 EDAB CCOC(=O)Cn1ncn(-c2ccc(Br)cc2)c1=O 1393925 SNHBVQSQOCRXBT-UHFFFAOYSA-N 326.150 1.360 0 40 EDAB CSc1nnc(C)n1NC(=S)NC(=O)COc1ccccc1 107746592 JVQXLWXGOJSCFB-UHFFFAOYSA-N 337.430 1.332 0 40 EDAB C[C@H]1CN(c2ccc(N[C@@H](C)C(=O)NC(N)=O)cc2F)C[C@@H](C)O1 56177700 IOEMPCNAQDKSNB-AXFHLTTASA-N 338.383 1.435 0 40 EDAB Cc1ccc(C)c(N2N=C(C(=O)NCCn3ccnc3)CCC2=O)c1 43946315 PASHCYRVJZKTHG-UHFFFAOYSA-N 339.399 1.799 0 40 EDAB CCN(C)[C@H](C(=O)N[C@H](C)C(=O)N1CCOCC1)c1ccccc1 108076940 PPHUOXKEYWOUOS-ZBFHGGJFSA-N 333.432 1.043 0 40 EDAB CCCn1c(=O)c2sccc2n(CC(=O)NC2CCCC2)c1=O 57478840 DYRASCMJTAPJHU-UHFFFAOYSA-N 335.429 1.694 0 40 EDAB Cc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2N)cc1 3272136 HFLQNBQFFMBXQY-UHFFFAOYSA-N 343.412 1.969 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)N2CCc3ccccc3C2)cc1 44890960 CUNYJKACVIIEHK-UHFFFAOYSA-N 345.424 1.602 0 40 EDAB CN(C)c1ccc(CNC(=O)N2CCN(C[C@H]3CCCO3)CC2)cn1 58248319 IGVJMGKEODOYEZ-MRXNPFEDSA-N 347.463 1.154 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)c1Cl 44910690 KFJMEUATTQUXRW-UHFFFAOYSA-N 344.824 1.173 0 40 EDAB C[C@@H](OCCCNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 44946015 AYDODJSVURWZOS-HIFRSBDPSA-N 340.445 1.641 0 40 EDAB CC[C@@H]1CCCN(CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)C1 44917940 HTCRLTBCRCBXAR-CZUORRHYSA-N 331.416 1.388 0 40 EDAB C[C@H](C(=O)NCc1ccccc1CN1CCCC1=O)n1cncn1 44910565 UQVJXEVXDITLQI-CYBMUJFWSA-N 327.388 1.278 0 40 EDAB Cc1csc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1 44977412 BQKUSEQHZGTHEG-UHFFFAOYSA-N 347.469 1.843 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1cc(F)ccc1F 44908972 JTLLDRQEBADWHX-VIFPVBQESA-N 337.326 1.460 0 40 EDAB NC(=O)NC(=O)CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 58332779 VOBRRLLHKSMIOR-LLVKDONJSA-N 347.350 1.250 0 40 EDAB O=C(c1cccc(CNC[C@H]2CNc3ccnn3C2)c1)N1CCCC1 58309693 NRGLCOKTGOOWNP-INIZCTEOSA-N 339.443 1.951 0 40 EDAB C[C@@H](SCc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)NC2=O 45037607 MPPLCCUZVSVBBZ-GFCCVEGCSA-N 347.440 1.509 0 40 EDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)c3cccn3C)c(=O)c12 27990704 PFGSBKSORNDEIZ-UHFFFAOYSA-N 343.339 1.696 0 40 EDAB COc1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 58401321 LZMLXHHLZUUPJW-MRXNPFEDSA-N 331.416 1.250 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccccc2-n2cnnn2)n1 48286867 KARHHMTXABUPOS-LBPRGKRZSA-N 339.403 1.542 0 40 EDAB COc1ccc(Br)c(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 37975461 AWVISFFEHGLTBL-SECBINFHSA-N 341.205 1.795 0 40 EDAB O=c1c(N2CCOCC2)nc2ccccc2n1C[C@@H]1CCCCO1 48332030 MDTMDBSOAGUOJJ-AWEZNQCLSA-N 329.400 1.802 0 40 EDAB O=C(CCC1CCCC1)N1CCN(c2ccc3nnnn3n2)CC1 12973204 ZWMROEMFVSWMEO-UHFFFAOYSA-N 329.408 1.138 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)CCCN1C(=O)c2ccccc2C1=O 69558074 WUYHLLMTPCAMQB-ZDUSSCGKSA-N 340.383 1.464 0 40 EDAB Cc1nc(CS(=O)(=O)c2cc3c(cc2Cl)OCCO3)no1 67488503 NXYXBEGAJQSFRW-UHFFFAOYSA-N 330.749 1.777 0 40 EDAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC 13140911 LBBNHJZTYKIJIB-SNVBAGLBSA-N 343.401 1.727 0 40 EDAB COCCN1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C1 69654911 SHOKIWGGNDZBSB-SNVBAGLBSA-N 338.882 1.791 0 40 EDAB O=C1CN(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)CCN1 64251572 AQKMPOZNXGWOMO-UHFFFAOYSA-N 349.394 1.667 0 40 EDAB CN1[C@@H](Cc2ccc3c(c2)OCO3)[C@@H](O)c2ccccc2S1(=O)=O 13654125 UAJMFZBNPZSMGP-GUYCJALGSA-N 347.392 1.694 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC[C@@H]1Cn1cccn1 69771176 LDRFYEFCDVQKOL-AEFFLSMTSA-N 338.411 1.852 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)NCCc1ccsc1 69773724 FXNLJWNFPDNVAE-HNNXBMFYSA-N 333.461 1.411 0 40 EDAB CC1(C)NC(=O)N(CC(=O)Nc2ccc(F)c(-n3cccc3)c2)C1=O 69740268 WSWYCGZRGUCZAJ-UHFFFAOYSA-N 344.346 1.885 0 40 EDAB O=C(CCN1CCC(CO)CC1)Nc1ccc(N2CCOCC2)cc1 69708391 STYGZKBXEVYFEV-UHFFFAOYSA-N 347.459 1.556 0 40 EDAB COc1cccc([C@@H](NC(=O)N2CCOC[C@@H]2C)c2nccn2C)c1 65390770 IKHJUQOQCYFNSW-XJKSGUPXSA-N 344.415 1.948 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CCCN(c3ncccn3)C1)C2 65463409 JSWKREBCXYBDRX-HUUCEWRRSA-N 340.431 1.329 0 40 EDAB CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 65428854 ZKBXRNGQMXSCNG-RISCZKNCSA-N 344.415 1.331 0 40 EDAB CCNC(=O)CNC(=O)c1cc(Br)c2c(c1)OCCO2 65567094 LSEQYWGMWDXSPF-UHFFFAOYSA-N 343.177 1.086 0 40 EDAB CCC(=O)N1CCN(C(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1 65611929 XNUZVSAGCJQHIH-HUUCEWRRSA-N 325.453 1.846 0 40 EDAB O=C(Cn1cnnn1)N(Cc1ccc2c(c1)OCCO2)C1CCCC1 69921430 FESUTPGEWDZFBJ-UHFFFAOYSA-N 343.387 1.416 0 40 EDAB CC1=C(C(=O)NCc2ccccc2)[C@H](c2cccn2C)n2nnnc2N1 4770172 OGMILVJHOABXAR-INIZCTEOSA-N 349.398 1.617 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc2ccccc2[nH]1 8746293 OESQKRIJQHXQQN-UHFFFAOYSA-N 328.397 1.773 0 40 EDAB CC(=O)N1CCN(C(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)CC1 67284300 MIWWMOUDUPZEKO-UHFFFAOYSA-N 348.794 1.506 0 40 EDAB NC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)n2)c(F)c1 80919734 GYMGZQMKQDVKNN-UHFFFAOYSA-N 343.293 1.897 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(Cl)c2)CC1 7848512 BFDZVPWJQSDUDC-LBPRGKRZSA-N 342.848 1.423 0 40 EDAB Cn1c(SCCNS(C)(=O)=O)nnc1-c1ccc(Cl)cc1 70021345 VOMMZZRFTUHQOG-UHFFFAOYSA-N 346.865 1.777 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccccc2OC[C@@H]2CCCO2)CC1 70019127 TZEYVXKITOIEKC-HOTGVXAUSA-N 348.443 1.383 0 40 EDAB Cn1cc(CN2CCCN(C(=O)c3cc(Cl)cn3C)CC2)cn1 69328724 LTTYXFGXGNUBPE-UHFFFAOYSA-N 335.839 1.760 0 40 EDAB CCOC(=O)c1sc2ncnc(NC[C@H](O)C(=O)OC)c2c1C 96011330 LKVYJWCIKFIENZ-QMMMGPOBSA-N 339.373 1.122 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccnc(S(C)(=O)=O)n2)C1 66055283 AZKAARBNMFKYAA-LLVKDONJSA-N 341.433 1.995 0 40 EDAB C[C@H]1NC(=O)c2nnn3c4ccc(Br)cc4c(=O)n1c23 67321014 GDJVQCOUSGDZRQ-YFKPBYRVSA-N 334.133 1.069 0 40 EDAB CC[C@@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O 9501126 GAVJSPYSXVJTJB-SFHVURJKSA-N 345.399 1.011 0 40 EDAB CCc1ncc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)s1 71841484 YRHSDUKDCXWOFG-LLVKDONJSA-N 335.404 1.919 0 40 EDAB CCc1nnc(CN2CCN(C[C@H](O)c3ccccc3F)CC2)n1C 71864053 KXHPPGLLJHJDEU-INIZCTEOSA-N 347.438 1.368 0 40 EDAB CCOc1ccccc1OC1CCN(C(=O)c2n[nH]c(O)n2)CC1 71823388 KVRSEBPAHSOCAD-UHFFFAOYSA-N 332.360 1.593 0 40 EDAB Cc1cc(N2CCN(C(=O)CCc3ccccc3)CC2)nc(N)n1 71832793 AGGHSAFFRSMQLG-UHFFFAOYSA-N 325.416 1.649 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 83829918 BRPYVPFFTYUVGN-ZDUSSCGKSA-N 334.351 1.485 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)NC2CC(C)(C)NC(C)(C)C2)C1 72082868 XZYOTHDKPPKJHB-GFCCVEGCSA-N 340.468 1.826 0 40 EDAB O=C(CCc1ccco1)N1CCN(Cc2noc(C3CC3)n2)CC1 89794510 VSQWTSPCCGJKEK-UHFFFAOYSA-N 330.388 1.817 0 40 EDAB O=C(Cc1ccc(N2CCNC2=O)cc1)N1CC(c2cccnc2)C1 72165629 XOELICWQSCGOOS-UHFFFAOYSA-N 336.395 1.780 0 40 EDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H]1CCN(C)C1=O 89949280 QRMYYPYCDRREHT-HUUCEWRRSA-N 330.432 1.657 0 40 EDAB CCN1CCCN(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)CC1 89977249 XIGQCYPUYKOTSE-QGZVFWFLSA-N 340.512 1.471 0 40 EDAB COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2nncn2C)N(C)C)c1 89913949 WLESATBQBGPFHR-SWLSCSKDSA-N 346.435 1.487 0 40 EDAB CC[C@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)NCCOC 89943627 VZGYKUBLYSKGQU-CQSZACIVSA-N 342.461 1.801 0 40 EDAB O=C(NCc1nc(-c2ccco2)n[nH]1)C(=O)Nc1cc(F)cc(F)c1 72291125 REMYSMJJEFOXJH-UHFFFAOYSA-N 347.281 1.598 0 40 EDAB O=C1NC(=O)[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3Cl)C2)N1 72290708 PWKSBPGOBQWBHQ-OHUAYANFSA-N 333.775 1.254 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c(C)c1 97048164 BZNDUZMNWIMCAN-HNNXBMFYSA-N 334.445 1.996 0 40 EDAB c1cnnc(NC[C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)c1 76049914 AUAJUHBDWBWIKL-OAHLLOKOSA-N 342.399 1.561 0 40 EDAB C[C@@](O)(CNS(=O)(=O)c1ccc2cn[nH]c2c1)c1ccsc1 95433185 YTCLESZPQGXEMK-CQSZACIVSA-N 337.426 1.810 0 40 EDAB O=C(Cc1ccccc1)NCCNC(=O)[C@@H]1Cc2cc(F)ccc2O1 95400037 DVUZNJXTBTXJGL-KRWDZBQOSA-N 342.370 1.604 0 40 EDAB CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)cnc2N)C1 95433876 VFHPHPIVLHMVNN-PWSUYJOCSA-N 344.868 1.422 0 40 EDAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@H](C(=O)O)C(C)C)no1 95427714 MCNKADOANXRYHI-CABZTGNLSA-N 343.405 1.269 0 40 EDAB Cc1noc(C)c1CCCNC(=O)[C@@H]1CC(=O)N(c2nccs2)C1 84804360 WXNKUAMHVGOKHS-GFCCVEGCSA-N 348.428 1.850 0 40 EDAB Cn1cnc(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 178720666 HIQTUHHWTDGQBO-UHFFFAOYSA-N 334.326 1.297 0 40 EDAB Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N(C)CC1CCC1 73566105 FIBXBJGEKDAXPN-UHFFFAOYSA-N 347.459 1.862 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1nccn1C 78898841 JAYICVSTXDJEMO-KGLIPLIRSA-N 328.482 1.348 0 40 EDAB CCN1CCN(C[C@H](C)CNC(=O)N2CCS[C@@H](C)[C@@H]2C)CC1 74660202 PXXKVYPOTAHLIK-PMPSAXMXSA-N 342.553 1.795 0 40 EDAB O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@@H](CO)C1 79285986 HEQLFVRSZCNHRP-MRXNPFEDSA-N 331.460 1.849 0 40 EDAB CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408609315 QZBMABZCRPWEET-SECBINFHSA-N 334.825 1.542 0 40 EDAB CCn1cc(CC(=O)N[C@H](C)[C@@H]2CCN(C(=O)c3ccoc3)C2)nn1 1050021457 IXNGPQGSYKPTRO-CHWSQXEVSA-N 345.403 1.101 0 40 EDAB CC(C)c1noc(CCNC(=O)NCc2cccc(C(N)=O)c2)n1 69062188 CSTGQUFCUABOKS-UHFFFAOYSA-N 331.376 1.334 0 40 EDAB CC(C)C(=O)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556231 PHQCHDUGULQLLA-UHFFFAOYSA-N 342.399 1.706 0 40 EDAB Cn1cnc(C(=O)N2CC3(C2)OCC[C@@H]3COc2cccnc2)c1 306122989 ABMFQBGKTAGBHC-CYBMUJFWSA-N 328.372 1.125 0 40 EDAB COc1cncc(N2CCN(Cc3cc(O)nc(C4CC4)n3)CC2)c1 1550538551 DVDGFDRGZLMVCO-UHFFFAOYSA-N 341.415 1.785 0 40 EDAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1OCC 409191190 DCLPMHRJJXEHPE-XYOKQWHBSA-N 348.355 1.550 0 40 EDAB CC1(C)CN(C(=O)NCCC[C@@H]2CCOC2)C[C@]2(CCOC2)O1 515460550 GOUQZLLYCWXVMS-PBHICJAKSA-N 326.437 1.783 0 40 EDAB O=C(CN1CCN(c2ccccc2)CC1)NC(=O)NC1CCCC1 35361642 WCDUKTMGWOUQQI-UHFFFAOYSA-N 330.432 1.577 0 40 EDAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCCO 217524075 HGLULJPUDKETOB-LLVKDONJSA-N 344.433 1.646 0 40 EDAB CNC(=O)c1nn(Cc2nnc(C(C)C)s2)c(=O)c2ccccc12 530102112 NZJMJYOQNPUMOV-UHFFFAOYSA-N 343.412 1.779 0 40 EDAB CCc1nccn1C[C@H]1CCCN1C(=O)N[C@@H]1CCc2ncnn2C1 530947915 PHDHBANMGOMTBA-ZIAGYGMSSA-N 343.435 1.226 0 40 EDAB CCn1cc(C(=O)N2CCN(c3ncnc4sccc34)CC2)cn1 74692029 VFWGJDLIWONXFU-UHFFFAOYSA-N 342.428 1.870 0 40 EDAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccco1 38671217 VAKNQOCHKCLVDO-UHFFFAOYSA-N 334.397 1.469 0 40 EDAB Cc1cc(C)nc(Nc2cc(C3CN(S(C)(=O)=O)C3)nc(C)n2)n1 72382701 VTGGQFSRTDMPPZ-UHFFFAOYSA-N 348.432 1.294 0 40 EDAB O=C(COc1ccc2c(c1)CCCC2)NCCCN1CCOCC1 133076539 UDTSXHIAHVYJDE-UHFFFAOYSA-N 332.444 1.783 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2nc(C)cs2)cc1 223280990 FMARIYQJDILXCT-UHFFFAOYSA-N 341.414 1.377 0 40 EDAB Cn1cc(NC(=O)N2CCN(c3ncnc4sccc34)CC2)nn1 574818272 XXWUEDHGKGZVHL-UHFFFAOYSA-N 344.404 1.174 0 40 EDAB COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)NCCc1nc(C)no1)C2 225458118 XFTNWBFSTCIFTM-MLGOLLRUSA-N 336.392 1.295 0 40 EDAB Cc1noc([C@H]2CO[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]32)n1 96218992 DVRYUTCSKJTZFD-DVOMOZLQSA-N 329.356 1.721 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)o1 96050846 SYRZZMXSNXIIDM-QGZVFWFLSA-N 326.356 1.647 0 40 EDAB Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3Cc2ccncc2)n1 96055693 GUPBITIYXXTCGO-DLBZAZTESA-N 336.395 1.801 0 40 EDAB O=C(NCCNC1=NS(=O)(=O)c2ccccc21)c1cccs1 95470262 JDAKRVNTMAJTRR-UHFFFAOYSA-N 335.410 1.217 0 40 EDAB Cc1ccc(N2CCO[C@@H]3CN(C(=O)CC4CC4)CC[C@@H]3C2)nn1 96249814 PIRZNGIZCKOBBH-HZPDHXFCSA-N 330.432 1.639 0 40 EDAB O=C(COC[C@]12CCCO[C@@H]1CCN(CC1CC1)C2)N1CCCC1 96039967 OWTXZAFORVWWQQ-IEBWSBKVSA-N 336.476 1.907 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@@H](N(C)C)[C@H]3OCCC[C@H]32)cc1F 96185774 BFRCZEMNJBLECS-OAGGEKHMSA-N 342.436 1.616 0 40 EDAB CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc3nc(O)[nH]c3c2)CC1 576293619 ICMHZYHJHXLVDX-NSHDSACASA-N 337.401 1.308 0 40 EDAB Cc1ccc([C@H]2[C@H](C(=O)NCc3cccnc3)OCC(=O)N2C)cc1 96181518 NTIVVFGLFXNWHM-ZWKOTPCHSA-N 339.395 1.605 0 40 EDAB COc1ccc(CC(=O)N2C[C@@H]3C[C@@H](c4nc(C)n[nH]4)O[C@@H]3C2)cc1 96045877 QGOTUHGFXPXGJW-CWRNSKLLSA-N 342.399 1.653 0 40 EDAB C[C@@H](CNC(=O)NC[C@@](C)(O)c1cnn(C)c1)Cc1cccs1 96440847 UQRFOZCTCYXLLG-MLGOLLRUSA-N 336.461 1.867 0 40 EDAB CCN1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)c3ccncn3)C2)C1 96217891 MKPUAALUCCNXMD-QFBILLFUSA-N 344.459 1.687 0 40 EDAB CCc1cc(NC(=O)CCc2c(C)nc3ncnn3c2C)nc(C)n1 96425626 RFWBIUNIPKWOMQ-UHFFFAOYSA-N 339.403 1.973 0 40 EDAB COCC(=O)N1CCn2c(COCc3cccc(C)n3)cnc2[C@H]1C 96109880 WVHIPZMKBWPCEI-CQSZACIVSA-N 344.415 1.853 0 40 EDAB CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2C=CCCC2)c1 96462904 KLTYOOQLNZFWFA-KRWDZBQOSA-N 344.459 1.886 0 40 EDAB CCn1ccc(NC(=O)COCc2nc(-c3cccnc3)no2)n1 96182063 VUJQLSVPHMLREW-UHFFFAOYSA-N 328.332 1.503 0 40 EDAB O=S(=O)(CCc1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 238835835 GRCHKIYSFQQVKZ-OWCLPIDISA-N 325.430 1.485 0 40 EDAB O=C(C1CCOCC1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@@H]21 96058118 LHZDWYMADUAEGJ-KSZLIROESA-N 346.427 1.783 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)NC(=O)C[C@@H]2c1cccnc1 96199702 XDPFJIMJZILVTB-OAHLLOKOSA-N 325.416 1.453 0 40 EDAB CN1CCN([C@@H]2COC3(CCN(Cc4ccccn4)CC3)C2)CC1 96048851 WPTBVUHIVXIKFW-SFHVURJKSA-N 330.476 1.453 0 40 EDAB Cc1nc(C)c(CCNC(=O)N2CCN(Cc3ccon3)CC2)s1 96440044 QEJSECFRYFISCK-UHFFFAOYSA-N 349.460 1.818 0 40 EDAB O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cnn[nH]1 96412687 ZDUBICJEJJIKNV-UHFFFAOYSA-N 349.822 1.731 0 40 EDAB Cc1ccc(CNC(=O)c2ccc(OCc3nnnn3C)cc2)o1 96101324 PMDOQSYIJRRCRH-UHFFFAOYSA-N 327.344 1.621 0 40 EDAB Cc1occc1C(=O)N1C[C@@H]2OCCN(CCN3CCCC3)[C@@H]2C1 96054383 ISHCBBCRWNCQOU-SJORKVTESA-N 333.432 1.209 0 40 EDAB COc1ccc(-n2ccnc(N3CCC[C@@H](C(=O)O)C3)c2=O)cc1 96530540 AOTRZSCZYKETJC-GFCCVEGCSA-N 329.356 1.542 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1ccoc1)C2 96238090 RWMPGXVXHSJQIU-KRWDZBQOSA-N 345.424 1.904 0 40 EDAB Cc1ccc(N2CCC[C@]3(CCN(C(=O)[C@H]4CCCO4)C3)C2)nn1 96217137 QKLGJHULOYFURK-QAPCUYQASA-N 330.432 1.783 0 40 EDAB Cc1ccc(O[C@@H](C)CNC(=O)NC[C@@H]2CN(C)CCN2C)cc1 96440132 OOXFRSCYZRABIT-JKSUJKDBSA-N 334.464 1.307 0 40 EDAB CCn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)c1ccnnc1)C2 96198367 KUTDTQNAOFAMTJ-MRXNPFEDSA-N 341.415 1.859 0 40 EDAB CN1CCN(Cc2ccc3ccccc3n2)C[C@@H](C(=O)N(C)C)C1 257276204 NSUBBQJWRWGTBO-INIZCTEOSA-N 326.444 1.687 0 40 EDAB O=C(C1=Cc2ccccc2OC1)N1CC[C@@](O)(CN2CCCC2)C1 257325553 WTLZIWSRDIVIHL-LJQANCHMSA-N 328.412 1.522 0 40 EDAB O=C(NCc1ccnc([C@H]2CCCO2)n1)c1cnc(C2CC2)nc1 257250604 JNHACHXHDVMJNN-CQSZACIVSA-N 325.372 1.926 0 40 EDAB CN(C)Cc1cnn(-c2ccccc2C(=O)N[C@@H]2CCCN(C)C2)c1 257240577 HUEBSTFOWXQYFJ-MRXNPFEDSA-N 341.459 1.758 0 40 EDAB C1=CO[C@H](CN2CCN(c3nnnn3-c3ccccc3)CC2)CC1 252482578 DJPMDPFCBHPPGH-INIZCTEOSA-N 326.404 1.477 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(Cc2ccc(C(F)(F)F)cc2)C1 257261506 LHQLLUYNTCBIOL-ZDUSSCGKSA-N 329.366 1.815 0 40 EDAB COCCN1C(=O)C[C@@H](C(=O)N(CCO)C(C)C)[C@@H]1c1ccccc1 257218229 DCIJGKBSJZHVSY-AEFFLSMTSA-N 348.443 1.452 0 40 EDAB Cc1cc(C(F)(F)F)nc(C2CCN([C@H]3COC[C@@H]3O)CC2)n1 257268051 MJZYBDUQJMFZTP-RYUDHWBXSA-N 331.338 1.743 0 40 EDAB Nc1ncnc2c1ncn2[C@@H]1CCC[C@@H](NCc2ccccc2)[C@H]1O 257289725 PZXJXTNUXIGAOR-IIAWOOMASA-N 338.415 1.653 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CC([C@@H](C)O)C3)C2)c1 585131141 MUWMHJAMZURQEI-HZPDHXFCSA-N 344.455 1.995 0 40 EDAB Cc1c(C2=NC3(CCC4(CCCC4)CC3)ON2)c(O)nc(=O)n1C 1615613907 BRDJCJXBRAFEBG-UHFFFAOYSA-N 332.404 1.906 0 40 EDAB C[C@H]1CCN(S(=O)(=O)c2cnc(C3OCCO3)s2)C[C@H]1C 1615587221 VMBKRMRGQUIVME-VHSXEESVSA-N 332.447 1.855 0 40 EDAB Cn1nc(CNS(=O)(=O)c2cc(F)ccc2F)c2c1CCOC2 96104025 MOJQQBFXURHUPV-UHFFFAOYSA-N 343.355 1.250 0 40 EDAB N#Cc1ccc(S(=O)(=O)N2CCn3nc(C4CC4)cc3C2)cc1 390830938 OLFZENFZLQDUER-UHFFFAOYSA-N 328.397 1.837 0 40 EDAB CC(=O)N1CCCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 585289710 VTJLGQKEFDJIJN-IPMKNSEASA-N 332.444 1.902 0 40 EDAB CN1CCC[C@]1(C)C(=O)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 585286187 VEDCUNBLKGJDRA-KLICCBINSA-N 332.444 1.805 0 40 EDAB COC(=O)c1cc(=O)n(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)cn1 585140776 KVFRGNFRRJEFJO-OCCSQVGLSA-N 333.388 1.211 0 40 EDAB CCn1cnnc1CNC(=O)NC1CCN(Cc2ccccc2)CC1 42929518 KWULKIDPPZYCSW-UHFFFAOYSA-N 342.447 1.762 0 40 EDAB C[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc2c(c1)CCC2 52492003 SJQOIOIOYXGIRT-ABAIWWIYSA-N 336.409 1.724 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H]1CCN(C(C)C)C1 63530497 GGJBCXNEGHPMQT-OAHLLOKOSA-N 344.463 1.520 0 40 EDAB O=C1NCCN1[C@H]1CCCN(Cc2nnc(-c3ccc(F)cc3)o2)C1 71841150 LEXPGIKOKAZKLD-AWEZNQCLSA-N 345.378 1.865 0 40 EDAB O=C(Nc1cccc(-n2cnnn2)c1)c1cc(-c2ccccn2)no1 72834323 OWALCUOOGLMDCX-UHFFFAOYSA-N 333.311 1.965 0 40 EDAB Cc1nnsc1C(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C 96098602 RBKDVTUFNGXDLZ-UHFFFAOYSA-N 347.448 1.257 0 40 EDAB CC(C)CNC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234199 KCIGFWNAVCZAHX-UHFFFAOYSA-N 331.351 1.315 0 40 EDAB COc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)ccc1OCC(N)=O 13547749 OTTJHZLKKKJVBO-PHIMTYICSA-N 338.429 1.344 0 40 EDAB COC(=O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)ccc1Cl 16675955 TUVAKQNFJQZMQW-RNJOBUHISA-N 333.727 1.569 0 40 EDAB COC[C@@H](C)NC(=O)Cn1nc(-c2ccc(C)s2)cc(N)c1=O 19217491 FZKVQRQXHASMBS-SECBINFHSA-N 336.417 1.014 0 40 EDAB CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C)CC1 19501918 MGONWCDNHUCAHL-MRXNPFEDSA-N 332.427 1.949 0 40 EDAB COc1cncc(O[C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)n1 225394398 LSBPERWUCQEWLX-NSHDSACASA-N 330.344 1.644 0 40 EDAB O=C(c1cc2n(n1)CCCO2)N1CCC[C@@H](Oc2cccnn2)C1 225457185 CZWVTNHROMWXEX-GFCCVEGCSA-N 329.360 1.139 0 40 EDAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)C3CC3)CC2)cc1 23134604 IFURXELIROPHTQ-UHFFFAOYSA-N 326.404 1.025 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CC[C@@H](Oc3ccncc3)C2)c1 154090977 SGFOXSVARIBKPE-CQSZACIVSA-N 336.417 1.701 0 40 EDAB CNC(=O)Cc1csc(NC(=O)c2ncnc3c2CCCC3)n1 1888859976 FOSWUVTTWNHWHH-UHFFFAOYSA-N 331.401 1.353 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2cnn(C)c2)C3)nc1 1888869390 FSLVUZZFCGRBAK-MAUKXSAKSA-N 341.415 1.840 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)N1CC[C@@](O)(CN2CCOCC2)C1 1848352036 MSNKWVBSAYEYSD-LJQANCHMSA-N 343.427 1.006 0 40 EDAB Cc1c(C(=O)NCc2ccccc2CN2CCOCC2)cnn1C 29931976 ITRMMCZBEDUGCJ-UHFFFAOYSA-N 328.416 1.491 0 40 EDAB O=S(=O)(Cc1cc(F)ccc1F)N1CC(Oc2cccnc2)C1 238885971 PZXSUTIFOANXJB-UHFFFAOYSA-N 340.351 1.953 0 40 EDAB O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1ccc2nsnc2c1 238890111 QNACYFQFRODZDS-JTQLQIEISA-N 327.369 1.062 0 40 EDAB Nn1c(SCC(=O)Nc2nccs2)nnc1-c1cccnc1 2192583 WFMOOIWRRQFXLL-UHFFFAOYSA-N 333.402 1.241 0 40 EDAB CC(=O)Nc1nnc(SCC(=O)NCCc2ccccc2)s1 4328397 KZIOUDAUIYPYQU-UHFFFAOYSA-N 336.442 1.948 0 40 EDAB O=C([C@H]1CN(c2ccc(C(F)(F)F)nc2)CCO1)N1CCOCC1 2086856856 SWHWQXZQSIWQMW-GFCCVEGCSA-N 345.321 1.164 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N1CCC(n2ccnn2)CC1 206941063 RQWOSFRAMMNUJE-UHFFFAOYSA-N 340.380 1.452 0 40 EDAB Cc1nnsc1C(=O)NC[C@](O)(c1ccccc1)C1CCOCC1 575612959 OWIXNYPORKWRKA-KRWDZBQOSA-N 347.440 1.891 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CCN(c2cnsn2)CC1 585148732 DUKUVLYPUQTOPR-UHFFFAOYSA-N 332.414 1.505 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1cccc(OC)c1 2431399 IYSVJUDNDFMMFE-ZDUSSCGKSA-N 342.351 1.560 0 40 EDAB CCOc1ncccc1CNC(=O)c1cccc(S(=O)(=O)NC)c1 30309310 CQEOQRCPIGFBLE-UHFFFAOYSA-N 349.412 1.318 0 40 EDAB C[C@H]1CN(CCCNC(=O)c2ccnc(-n3ccnc3)c2)C[C@H](C)O1 50170848 KXXCIJJCLCCLFS-GJZGRUSLSA-N 343.431 1.496 0 40 EDAB CS(=O)(=O)Nc1cccc2c1CCN(C(=O)NCC1CCC1)C2 50100623 ANLVKYPXMPVGBU-UHFFFAOYSA-N 337.445 1.926 0 40 EDAB CCN(C(=O)c1cc(Br)cn1CC)[C@H]1CC(=O)NC1=O 69419688 MIHFHLXASIXLQN-VIFPVBQESA-N 342.193 1.148 0 40 EDAB O=C1CC[C@@H]2CN(S(=O)(=O)CC3CCC3)CC[C@@H]2N1C1CC1 96492890 HQSKAWDWABWHMD-HIFRSBDPSA-N 326.462 1.592 0 40 EDAB CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2NC(=O)C2CC2)n1 378643 OYCDYIHJWLMLDL-UHFFFAOYSA-N 342.403 1.603 0 40 EDAB OCCN1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 69419899 AZEOLIVVZGNDJD-CQSZACIVSA-N 329.238 1.092 0 40 EDAB O=C(CNC(=O)NC1CC1)NCc1cccnc1OCC(F)(F)F 40555843 IZOVJQYZTSQMGR-UHFFFAOYSA-N 346.309 1.101 0 40 EDAB C[C@H](CNC(=O)c1cc(C2CC2)nn1C(C)(C)C)N1CCOCC1 40540312 CXHUFDCTXVFYEP-CYBMUJFWSA-N 334.464 1.966 0 40 EDAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCCN1CCOCC1 20547684 ZQECXJOSVMQSJZ-CYBMUJFWSA-N 346.383 1.009 0 40 EDAB biogenic COC(=O)CC12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2 4085803 KVZLCQLDCJROEQ-HNSAUWANSA-N 327.174 1.178 0 40 EDAB C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c1ccccc1 4321031 BQCGPMZEBOHHTF-YPMHNXCESA-N 335.404 1.633 0 40 EDAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2cccc3[nH]ccc23)n1 32097066 HZIZFDQCGMGAPP-UHFFFAOYSA-N 325.372 1.736 0 40 EDAB COCC(=O)Nc1nnc2n(Cc3cccc(OC)c3)[nH]c(C)c1-2 101142482 GZEGILSMKCMANT-UHFFFAOYSA-N 329.360 1.661 0 40 EDAB Cc1nnc(S/C(=C\c2cccc(OCC(=O)O)c2)C(=O)O)[nH]1 6525895 JDNDEHQIWGGESI-WDZFZDKYSA-N 335.341 1.794 0 40 EDAB COc1ccc(-c2cc(O)n([C@H]3CCS(=O)(=O)C3)n2)cc1OC 101449785 RKWOGDVGRDKRTL-NSHDSACASA-N 338.385 1.633 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)NCCc1ccccc1F 32206530 ZAJLKIWOWVHVET-UHFFFAOYSA-N 340.358 1.680 0 40 EDAB C[C@@H](CNC(=O)N(C)Cc1ccc2c(c1)OCO2)N1CCOCC1 46264810 TULMPHJDSQRYMV-ZDUSSCGKSA-N 335.404 1.277 0 40 EDAB CC(=O)N[C@@H](C(=O)NCc1ccc(-n2nc(C)cc2C)nc1)C(C)C 46309940 RLNRZFSSICZVAX-QGZVFWFLSA-N 343.431 1.661 0 40 EDAB O=C(NCCO)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 8476874 JBFUHOXCABDPSO-UHFFFAOYSA-N 344.321 1.935 0 40 EDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSc1ncn[nH]1 8154775 HFHRUKDSORXRIT-UHFFFAOYSA-N 333.417 1.611 0 40 EDAB CC1(C)CC(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC(C)(C)N1 102451235 FWQQKKNKBATDCC-ZIAGYGMSSA-N 349.475 1.587 0 40 EDAB Cc1ccc(N2C(=O)C[C@H](N3CCC[C@H](C(N)=O)C3)C2=O)cc1Cl 102528445 WMEPKENNTIYXQN-FZMZJTMJSA-N 349.818 1.478 0 40 EDAB CCO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(-n3cnnn3)cc2)C1(C)C 96418936 XYTHYXYESWHZOR-CVEARBPZSA-N 343.431 1.867 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Cc2ccccc2)C1 96437712 VKMVJMHVKCRTMQ-CVEARBPZSA-N 336.457 1.695 0 40 EDAB COc1ccc(C(=O)NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 102684830 KYTXCSLDFMQCSI-TUVASFSCSA-N 338.363 1.537 0 40 EDAB O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccccc1O 101420304 NTAZVZRXDRSRNC-GREKMHCPSA-N 326.352 1.528 0 40 EDAB COCCN1CCC(CNC(=O)C(C)(C)n2cc(Cl)cn2)CC1 89620979 FERHTKMPJBYLMG-UHFFFAOYSA-N 342.871 1.746 0 40 EDAB Cc1sc(NC(=O)C(=O)NCc2ccc(F)cc2)c(C(N)=O)c1C 2733951 ZEZFKGUOXRSEGL-UHFFFAOYSA-N 349.387 1.858 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 33197517 LPCXLBHWLKFNIE-UHFFFAOYSA-N 333.413 1.396 0 40 EDAB C[C@H](NC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O)c1ccc2c(c1)OCO2 102353979 GYMUAMRCBNXAOE-PRYGESGESA-N 331.324 1.247 0 40 EDAB Cc1cccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)c1 12346192 CDNGTUPAEMGGJD-CZUORRHYSA-N 327.384 1.624 0 40 EDAB C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCCO1 23196421 PAOUDZAAQXHHME-WFASDCNBSA-N 338.429 1.524 0 40 EDAB Cc1ccccc1OCCN(C)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 42532738 AXCXQVNZGJKOKB-CVEARBPZSA-N 347.459 1.418 0 40 EDAB Cn1c(=O)n(C)c2cc([C@H]3NCC[C@]34C(=O)Nc3ccccc34)ccc21 61719504 DGPMUVKHRQGELD-YLJYHZDGSA-N 348.406 1.802 0 40 EDAB CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 24090732 SQOBXLLBHYRBEK-GOEBONIOSA-N 334.416 1.955 0 40 EDAB CS(=O)(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 24051504 ZGLLPCDGJLTAHQ-UHFFFAOYSA-N 345.467 1.673 0 40 EDAB COc1cccc(CO[C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 43014425 CADVSLMPWNGEGF-TZMCWYRMSA-N 341.429 1.151 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCO2 24688454 MXAYRVXMXFZPGK-CQSZACIVSA-N 338.429 1.165 0 40 EDAB CC(C)N1C(=O)N[C@](C)([C@H]2CCCN(CCn3cccn3)C2)C1=O 89869765 VTPWZTWYMBXGRH-WMLDXEAASA-N 333.436 1.314 0 40 EDAB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)c(F)c21 1425152 DASUZCVFUIROFI-UHFFFAOYSA-N 338.310 1.834 0 40 EDAB O=C(Cn1cncn1)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 106835176 LVKCSQUMBPJGLF-QZTJIDSGSA-N 339.443 1.934 0 40 EDAB CCc1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)s1 56060383 GQLXHPGKQUMBNK-UHFFFAOYSA-N 337.426 1.959 0 40 EDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C)C(=O)NCc1cccs1 107504777 JCUWUGGNVBZLSA-XNRPHZJLSA-N 337.489 1.989 0 40 EDAB Cc1ccccc1OC[C@H](C)NC(=O)NCC(=O)NCC(F)(F)F 56861965 RTPJTIIZEPXGKC-NSHDSACASA-N 347.337 1.740 0 40 EDAB COc1cc2c(cc1OC)CCN(C(=O)Cn1cc(C)cn1)CC2 57002547 GNMNQXTYYBQQQW-UHFFFAOYSA-N 329.400 1.836 0 40 EDAB COc1ccc(-n2ccnc2SCCCS(N)(=O)=O)cc1 57745603 VVRKZBVFADMNEQ-UHFFFAOYSA-N 327.431 1.652 0 40 EDAB CC1(C)CC(=O)c2ccc(OCC(=O)NCCc3c[nH]cn3)cc2O1 12663594 KWDWLKHSFUGCRP-UHFFFAOYSA-N 343.383 1.891 0 40 EDAB biogenic Cc1cccc(N2CCN([C@@H](C)c3nc(N)nc(N(C)C)n3)CC2)c1 12608567 KLAMZICSTZOCSL-AWEZNQCLSA-N 341.463 1.711 0 40 EDAB CC[C@@](C)(NC(=O)Cn1cnc2c(C)cccc2c1=O)C(=O)OC 58181848 ORJBOHLLLKFBGQ-QGZVFWFLSA-N 331.372 1.163 0 40 EDAB O=C(NCCCn1nc2n(c1=O)CCCC2)c1cc2ccccc2[nH]1 58173397 DAZOEIRXCPNCFK-UHFFFAOYSA-N 339.399 1.683 0 40 EDAB NC(=O)[C@@H]1CCN(Cc2cc3c(cc2Br)OCCO3)C1 48034540 CVWFPDPAXKECSM-SECBINFHSA-N 341.205 1.528 0 40 EDAB O=C(/C=C/c1ccc(Br)o1)N[C@@H]1CCS(=O)(=O)C1 44873579 BUDMYIFAEQDHBQ-BYDTYLDUSA-N 334.191 1.359 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)C1 44910655 RPPYPOIUSXVOKI-CYBMUJFWSA-N 340.445 1.567 0 40 EDAB COc1cccc(CNC(=O)[C@H](C)S(=O)(=O)C[C@@H]2CCCO2)c1 44909257 RDEWPLJYASLMTN-WFASDCNBSA-N 341.429 1.294 0 40 EDAB CC(C)(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(N)=O 44979964 XZXAITMWEYUFPR-UHFFFAOYSA-N 326.296 1.127 0 40 EDAB COc1cc(OC)c(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl 58306802 IMNVUVMCUAQQQH-MRVPVSSYSA-N 348.808 1.666 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)COc2ccc(F)cc2)CC1 58420245 MVUXSZOBOZYQNR-INIZCTEOSA-N 349.406 1.145 0 40 EDAB CNC(=O)c1cccc(CNS(=O)(=O)N2CCC[C@@H](C)C2)c1 28321379 ZMILCLWYVGASBW-GFCCVEGCSA-N 325.434 1.113 0 40 EDAB Cc1ccccc1OCCN(C)C(=O)N[C@H]1CCS(=O)(=O)C1 48253465 QTJPRIPVMXGMCL-ZDUSSCGKSA-N 326.418 1.202 0 40 EDAB CCc1nnc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)s1 13057852 LAZDXWOYMSTDIQ-UWVGGRQHSA-N 336.417 1.604 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)O 5060152 NTNGHHXIJSIPNP-ZDUSSCGKSA-N 336.369 1.492 0 40 EDAB O=C(Cn1cnc(NC(=O)c2ccccn2)n1)NCc1ccccc1 69510245 FJQFSEYZSMHRLQ-UHFFFAOYSA-N 336.355 1.242 0 40 EDAB O=C(COC(=O)c1cnccn1)Nc1ccc2c(c1)OC(F)(F)O2 6226539 AOLIEUZEEGAJFN-UHFFFAOYSA-N 337.238 1.594 0 40 EDAB Cc1noc(C)c1[C@@H](C)C(=O)NS(=O)(=O)N1CCc2ccccc21 69656827 MVJQYGXEQAHESE-SNVBAGLBSA-N 349.412 1.819 0 40 EDAB C[C@@H]1CN(C(=O)NC2CCN(CCc3ccncc3)CC2)C[C@@H](C)O1 65592333 DZFXDNNWQXSGJK-HZPDHXFCSA-N 346.475 1.907 0 40 EDAB COCCCN(C(=O)Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 65539470 XVNUHBVEQBCUHG-CQSZACIVSA-N 343.420 1.420 0 40 EDAB CCCN(CN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 14184665 DKLCEHDMSNJBQZ-GFCCVEGCSA-N 336.413 1.139 0 40 EDAB CCN(CC(=O)NCc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 65624605 ZIURYAITHJDXSN-LBPRGKRZSA-N 330.475 1.182 0 40 EDAB CCn1nc(C)cc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69739194 VPSHKKXOEMDJNR-SFHVURJKSA-N 342.443 1.703 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)Nc2cccc(-c3nnc[nH]3)c2)cc1 69773363 BTQDWJVOVDDACI-UHFFFAOYSA-N 344.352 1.971 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 69778060 ZYOGSIONKIMBOD-OAHLLOKOSA-N 346.431 1.021 0 40 EDAB O=c1oc2ccccc2n1CCCN1CCC[C@@H]1Cn1cncn1 69742207 ZJANNPFVNBHLDI-CQSZACIVSA-N 327.388 1.741 0 40 EDAB O=C1CSc2ccc(C(=O)NCc3nnc4ccccn34)cc2N1 6610574 FEMNVKLKFLLGPG-UHFFFAOYSA-N 339.380 1.704 0 40 EDAB CC(C)(CNC(=O)c1ccc2c(c1)NC(=O)CS2)N1CCOCC1 17854152 YZKGKKPYPBSZDJ-UHFFFAOYSA-N 349.456 1.571 0 40 EDAB CN1C(=O)N(C)[C@@]2(c3ccccc3)NC(=O)NN[C@]12c1ccccc1 4863114 BZMQSOMCHOSZCM-QZTJIDSGSA-N 337.383 1.507 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)[C@H]3CCOC3)CC2)c1OC 69890715 ALDIQBWZFUDBAK-ZDUSSCGKSA-N 348.399 1.025 0 40 EDAB COCCc1noc(CN(C)[C@H]2CCCN(c3ccc(C)nn3)C2)n1 69814085 GLNIJTGXMTZZJD-AWEZNQCLSA-N 346.435 1.458 0 40 EDAB Cc1ccc2c(Cn3nnn(-c4ccccc4)c3=O)cc(=O)oc2c1 15374426 MKPIOJRMZRHESV-UHFFFAOYSA-N 334.335 1.892 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)C1CCN([C@H]2CCOC2=O)CC1 15480641 GOEWGZWJJQXHHT-AWEZNQCLSA-N 331.368 1.668 0 40 EDAB COCCN1CCN(Cc2nnnn2-c2cc(C)ccc2F)C[C@H]1C 69969360 QYSBSAXJCDLPDO-CQSZACIVSA-N 348.426 1.262 0 40 EDAB Cc1cc(C)n(C2CN(CC(=O)NCCOc3ccccc3)C2)n1 69950655 FFZWAKNNNRJXAP-UHFFFAOYSA-N 328.416 1.552 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2sc(CC)nc2C)CC1 69920751 CNUQUYGYCWAADD-CYBMUJFWSA-N 341.477 1.169 0 40 EDAB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC[C@H]1CCCO1 8748307 LGFXTYBCGDGILK-QWHCGFSZSA-N 347.444 1.747 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1Cc1ncn(-c2ccccc2)n1 92250052 LEXMCKRGQXXFIY-HNNXBMFYSA-N 329.385 1.195 0 40 EDAB CC(C)(C)N1C[C@@H](NS(=O)(=O)Cc2ccccc2F)CC1=O 80785578 LDCZAKOCSXQORT-LBPRGKRZSA-N 328.409 1.645 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(F)cc2Cl)c1 16117522 PNWWZABFRHRKQQ-UHFFFAOYSA-N 344.795 1.939 0 40 EDAB CCc1nc(NC(=O)CN2CC[C@@](O)(C(F)(F)F)C2)sc1C 81051970 MKTLCDJJINSZNO-LBPRGKRZSA-N 337.367 1.952 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)c2ccccc2O1 7827970 YUYHZFBFOODUIE-SJORKVTESA-N 338.363 1.530 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@@H](C(F)(F)F)C1 9114355 ZBQJTCWKNYDLHK-SNVBAGLBSA-N 340.305 1.592 0 40 EDAB Cc1ccc([C@H]2C[C@H]2C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C 71835217 MDYNJQVALPUTRQ-HUUCEWRRSA-N 341.411 1.608 0 40 EDAB NC(=O)CCCNC(=O)C1(c2ccc3c(c2)OCO3)CCCCC1 71830291 URTNAEJEGOFYMY-UHFFFAOYSA-N 332.400 1.999 0 40 EDAB CN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ncnc2[nH]cnc12 71818675 LAHOFRMVQKZLJC-SECBINFHSA-N 342.325 1.590 0 40 EDAB CC(C)[C@@H](O)CCNS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007698 ZPIMIGQDBXWKLE-JTQLQIEISA-N 326.340 1.786 0 40 EDAB C[C@H](O)CN1CCN(CCC(=O)N2CCc3sccc3C2)CC1 71877377 VYXSUQDINIJUMV-AWEZNQCLSA-N 337.489 1.021 0 40 EDAB Cc1nc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)cs1 71889050 MAINDASCKDHZHP-UHFFFAOYSA-N 332.385 1.309 0 40 EDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1nc2nccc(C)n2n1 71870460 WWPZCNSZAKZHJA-KBPBESRZSA-N 328.420 1.522 0 40 EDAB C[C@@H](O)CN1CCN(Cc2nccn2Cc2ccccc2)C[C@H]1C 71864471 UMYTZLRDIHHKQO-IAGOWNOFSA-N 328.460 1.818 0 40 EDAB COc1ccc(-n2cnnc2SCC(=O)Nc2cc(C)on2)cn1 71799813 RQEKEGQKGHABAM-UHFFFAOYSA-N 346.372 1.698 0 40 EDAB C[C@H](N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1nc(C2CC2)no1 76057073 JWDZSSFVJPPXNM-NHCYSSNCSA-N 328.438 1.268 0 40 EDAB CS(=O)(=O)c1ccc(CCNc2cn[nH]c(=O)c2Cl)cc1 76064059 WQQURKRWSNEMRN-UHFFFAOYSA-N 327.793 1.481 0 40 EDAB O=C(c1ccc(OCC2CC2)nc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269449 ZCYLAILSJHLAJZ-IRXDYDNUSA-N 345.443 1.542 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H](C)OC[C@@H]3CCCO3)C2)n1 72235562 FHRVWQXIPFLCIB-MAZHCROVSA-N 336.436 1.643 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)C2)no1 72231963 NAEVMLYPUQGHJN-ZFWWWQNUSA-N 341.367 1.866 0 40 EDAB CNC(=O)Cn1cnc(NC(=O)COc2ccc(C(C)C)cc2)n1 72296979 WORFRIQSIWHIHQ-UHFFFAOYSA-N 331.376 1.165 0 40 EDAB COc1c([C@@H]2CCCN2CC(=O)NC2CCOCC2)c(C)nn1C 72253819 IKFPLOOQIKSUTK-AWEZNQCLSA-N 336.436 1.169 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)n1 97086641 CMFAJOHQKGSYFF-MRXNPFEDSA-N 346.818 1.853 0 40 EDAB CN1CCN(CCCN2CCN(Cc3cccc(F)c3)C(=O)C2)CC1 97050828 RJKKBWNBTOOCNN-UHFFFAOYSA-N 348.466 1.107 0 40 EDAB Cc1cc([C@H]2CCCN(CCNS(=O)(=O)c3ccccc3)C2)n[nH]1 72301123 FUZGOFSAECOWRZ-HNNXBMFYSA-N 348.472 1.876 0 40 EDAB CN(C)[C@H](C(=O)Nc1ccc(N2CCOCC2)cn1)c1cccnc1 72310053 WXGXEEITDOYXCR-KRWDZBQOSA-N 341.415 1.555 0 40 EDAB Cc1sc(Br)cc1S(=O)(=O)N1CCN[C@H](C)C1 94870976 YCAKIWHRWJIHOK-SSDOTTSWSA-N 339.280 1.801 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)c1ncnc2c1cnn2CCO 97200211 POKDZLRIFMMKKZ-UHFFFAOYSA-N 341.371 1.574 0 40 EDAB Cc1nc(NC[C@@H]2CCN(S(C)(=O)=O)C2)nc(C)c1CC(C)C 95435640 JLTMIOYUGUWMCK-AWEZNQCLSA-N 340.493 1.985 0 40 EDAB CCN(CC)[C@H](CNc1ccc2n[nH]c(=O)n2n1)Cc1ccccc1 95411915 MXEGFLKGRTUZBG-HNNXBMFYSA-N 340.431 1.783 0 40 EDAB COc1ccc([C@@H](C)N[C@@H]2CCS(=O)(=O)C2)cc1Cn1cccn1 95419508 VEUKMAQNENMEGV-CZUORRHYSA-N 349.456 1.778 0 40 EDAB C[C@@H]1CCCN1CC(=O)Nc1ccccc1CN1CCC[C@@H]1C(N)=O 73271413 BHKMYUZUMBDAAK-RHSMWYFYSA-N 344.459 1.559 0 40 EDAB C[C@H](CCO)CNS(=O)(=O)c1ccc(Br)s1 85133235 GAYTVPSYGUYSJS-SSDOTTSWSA-N 328.253 1.807 0 40 EDAB CC(C)c1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc(=O)[nH]1 95985901 UHDFUQAMDBWSCR-ZDUSSCGKSA-N 329.404 1.642 0 40 EDAB CN(C)c1ccncc1CNC[C@]1(N2CCOCC2)CCSC1 95996703 MECDISKPZDGMFA-QGZVFWFLSA-N 336.505 1.445 0 40 EDAB Cn1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1=O 95948439 HAVQPKWDXIZAQT-QGZVFWFLSA-N 325.412 1.952 0 40 EDAB O=C(CCc1cncc(F)c1)NCC1(N2CCOCC2)CCCC1 95985915 UXZUJZMTTNLMJZ-UHFFFAOYSA-N 335.423 1.915 0 40 EDAB CN1CCN(C(=O)CSc2n[nH]c(COc3ccccc3)n2)CC1 408558940 WSORVXWRMKMVFM-UHFFFAOYSA-N 347.444 1.250 0 40 EDAB CNS(=O)(=O)c1cccc(CNCc2cnn(C(C)(C)C)c2)c1 66988826 WETQTWFSPNAVEF-UHFFFAOYSA-N 336.461 1.836 0 40 EDAB O=C(N[C@@H]1CCOC[C@@]12CCN(Cc1ccccn1)C2)N1CCCC1 306135693 OXXQELVUKWZOGS-MJGOQNOKSA-N 344.459 1.868 0 40 EDAB CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408710185 RMGLAKRVVUPGBE-UHFFFAOYSA-N 325.368 1.344 0 40 EDAB C[C@H]1Cc2c(NC(=O)COc3ccccc3F)nn(C)c2NC1=O 35597734 KGVNHQZYQSQWPC-VIFPVBQESA-N 332.335 1.707 0 40 EDAB Cc1ncc(C(=O)NC[C@@H]2CCO[C@H]2c2cn[nH]c2)c(C2CC2)n1 1549658572 VERTVLBKAPMOKZ-BLLLJJGKSA-N 327.388 1.893 0 40 EDAB O=S1(=O)Nc2ccccc2N1CCNc1ccnc(C2CC2)n1 548660157 JHMYERYDAONKMY-UHFFFAOYSA-N 331.401 1.943 0 40 EDAB Cc1cccc(CC(=O)N[C@@]2(C)CCN(C(=O)Cn3cccn3)C2)c1 1536895466 XFHULFCWFLCKQN-IBGZPJMESA-N 340.427 1.541 0 40 EDAB CN(C)c1ccc(C[C@H]2CCCN(C(=O)c3cccc(=O)[nH]3)C2)nn1 72369271 MLPZZVRHAOFSNY-CYBMUJFWSA-N 341.415 1.326 0 40 EDAB Cc1nnsc1C(=O)NCCn1cnc(-c2ccccc2)cc1=O 70655845 UABAUJJNBSYFTK-UHFFFAOYSA-N 341.396 1.500 0 40 EDAB CC(C)Nc1cnc(C[C@@H]2CCCN(S(C)(=O)=O)CC2)cn1 72364962 VPFXQUDSYGGKMT-CYBMUJFWSA-N 326.466 1.901 0 40 EDAB CCn1cc(CN(C)S(=O)(=O)c2cn(C(F)F)nc2C)c(C)n1 36615319 PUQUFNICVUOZQG-UHFFFAOYSA-N 347.391 1.932 0 40 EDAB COc1ccc(NC(=O)Cn2c(=O)c3nncn3c3ccccc32)cc1 64871388 NMSMKAZHOBGPQF-UHFFFAOYSA-N 349.350 1.692 0 40 EDAB CNCC(=O)N1CCC[C@H]1c1cc(Nc2nccs2)nc(C)n1 72360924 HXEMAVOCUOJFJP-LBPRGKRZSA-N 332.433 1.868 0 40 EDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)Cc3ccsc3)C2)n1 225405408 UAMUOHKUVCTAPC-ZDUSSCGKSA-N 332.429 1.827 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N[C@H](C)[C@@H](O)c2ccc(F)c(F)c2)C1 195544920 IJBBGMDACFPNEJ-UEKVPHQBSA-N 348.415 1.953 0 40 EDAB Cc1nc(C)c(C(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)s1 238912420 SHHBOEBZPYVRSP-CHWSQXEVSA-N 345.424 1.536 0 40 EDAB C[C@@H](CNC(=O)[C@]12C[C@H]1CCCN2)c1ccc(S(C)(=O)=O)cc1 1576030542 YUZFBBYUUNOYNL-QEORTHHSSA-N 336.457 1.452 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)Cn1nc(C)sc1=O)CC2 192464593 XWDNADJWOCCXAU-UHFFFAOYSA-N 349.412 1.215 0 40 EDAB CN(C)[C@@H](CNC(=O)CN1CC[C@@]2(CCOC2)C1)c1ccccc1 195566957 GHZQVXSMTNCYTE-PKOBYXMFSA-N 331.460 1.518 0 40 EDAB CCOc1ncccc1C(=O)N1CCC[C@@H](Oc2cccnn2)C1 225456324 XBZWLQPUYWWBPQ-CYBMUJFWSA-N 328.372 1.954 0 40 EDAB Cc1ccc(N2CC[C@@H](N3CCC[C@@H](N4CCNC4=O)C3)C2=O)cc1 195530834 JYFICQJRGYZWGS-IAGOWNOFSA-N 342.443 1.590 0 40 EDAB CCOC(=O)c1cnc(N2CCCC2)nc1CN1C[C@H](C)O[C@@H](C)C1 41363380 CPCCMRHNRDDNQX-KBPBESRZSA-N 348.447 1.863 0 40 EDAB Cc1cc(CNC(=O)COc2ccn(-c3ccccc3)n2)n(C)n1 226853258 WJJJJTMWFGVCNG-UHFFFAOYSA-N 325.372 1.609 0 40 EDAB CC(C)n1ccc(C(=O)N2CCN(c3cc(Cl)ncn3)CC2)n1 81764370 FUOBHVBUERCSTL-UHFFFAOYSA-N 334.811 1.870 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2C(=O)c2ccc[nH]2)N1CC1CCOCC1 96064701 JAFAGDSGCQPALD-HOTGVXAUSA-N 331.416 1.647 0 40 EDAB Cc1ccc(CN2Cc3ccnn3C[C@H](COCC(=O)N(C)C)C2)o1 96189066 OLVJXTGMSASQLQ-OAHLLOKOSA-N 346.431 1.521 0 40 EDAB O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1nc2c(s1)CCC2 578304550 VJSGUIMZSZATPM-LLVKDONJSA-N 349.378 1.625 0 40 EDAB O=C(NCCN1CCCC[C@@H]1CO)c1cc(-c2ccc(O)cc2)[nH]n1 95380037 UQSFDLJCPDIRCU-CQSZACIVSA-N 344.415 1.359 0 40 EDAB CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)COC)CC2 96264808 PIOOEERNQHJKKE-UHFFFAOYSA-N 325.434 1.199 0 40 EDAB CCCS(=O)(=O)N1CC[C@]2(C[C@H](OCCN3CCCC3)CO2)C1 96110864 NVDCJMGJLQZKCI-HOTGVXAUSA-N 346.493 1.072 0 40 EDAB COCCN1CCC2(CC1)OCC(=O)N(Cc1cccc(C)n1)[C@@H]2C 96201616 XUDZMDYWTYSVLE-MRXNPFEDSA-N 347.459 1.618 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CCO[C@@H]2CCN(C3CCC3)C[C@@H]21 96043482 MAWBVFYMOGCPDY-KZNAEPCWSA-N 329.444 1.977 0 40 EDAB O=C(Cc1ccc(-n2cnnc2)cc1)N1CCc2ccccc2[C@@H]1CO 582662011 UEEYABSRYIRFKP-IBGZPJMESA-N 348.406 1.928 0 40 EDAB CCN1C[C@@H](COC(=O)c2cncc(Br)c2)CC1=O 96416231 JEVURGOQTRGORF-VIFPVBQESA-N 327.178 1.869 0 40 EDAB O=C(c1ncccn1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107389 FGHSEVJWVDVHDA-KDOFPFPSSA-N 340.383 1.714 0 40 EDAB CN(C)C(=O)N[C@H]1CCc2c(ccc(=O)n2CC2CCOCC2)C1 96067690 QVFFSPUSRPVYET-HNNXBMFYSA-N 333.432 1.403 0 40 EDAB CN(C)c1cccc(CNC(=O)NCc2ccc([S@](C)=O)cc2)n1 96484600 GMWZAPNZLBYKQT-XMMPIXPASA-N 346.456 1.884 0 40 EDAB O=C(c1ncccc1C(F)(F)F)N1CCC[C@@](O)(c2cnn[nH]2)C1 583618957 MXLBJEHOTIKWQL-ZDUSSCGKSA-N 341.293 1.342 0 40 EDAB O=C1C[C@H](c2ccncc2)C2(CCN(C(=O)[C@H]3CCOC3)CC2)N1 96199972 OOTMDPFBEVSZTK-LSDHHAIUSA-N 329.400 1.083 0 40 EDAB Cc1nc(CN2Cc3ccnn3[C@@H](CC(=O)N3CCC3)C2)cs1 247958832 NKRWCHZRYYROOD-HNNXBMFYSA-N 331.445 1.827 0 40 EDAB CC[C@](O)(C(=O)N[C@@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1 252500177 SOHCTZNNIWQEFU-RHSMWYFYSA-N 348.834 1.969 0 40 EDAB O=C(Nc1ccccc1O)C1CCN(C[C@H](O)CC2(O)CCC2)CC1 527589806 JSTJJIWBGHXHLK-OAHLLOKOSA-N 348.443 1.709 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCOC[C@@H]2c2[nH]ncc2C)c1C 257339145 ZAJKFVIJMCPLHE-GFCCVEGCSA-N 339.421 1.005 0 40 EDAB COCC(=O)N1CCC[C@](CCCc2ccccn2)(C(=O)N(C)C)C1 257320866 VYYDHXUGAYEGIE-IBGZPJMESA-N 347.459 1.748 0 40 EDAB NC[C@@H]1CC[C@H](CC(N)=O)N1C(=O)c1ccc(CN2CCCC2)cc1 257263197 LOVANARNJQWYJV-SJORKVTESA-N 344.459 1.090 0 40 EDAB O=S(=O)(CCCCF)Nc1n[nH]cc1I 585129813 XMMLBYOFBFFMPK-UHFFFAOYSA-N 347.153 1.506 0 40 EDAB CN(CCCCO)C(=O)[C@@H](CC(C)(C)O)N(C)C(=O)OC(C)(C)C 585135675 VUZJEGDZINAJBW-CYBMUJFWSA-N 346.468 1.614 0 40 EDAB COC[C@@]1(C(=O)OC)CCCCN1S(=O)(=O)c1ccc(C)o1 585129465 KMDIMWKNLDAIJZ-CQSZACIVSA-N 331.390 1.321 0 40 EDAB Cn1ncc(NS(=O)(=O)c2cnc3ccsc3c2)c1C(=O)O 536990378 YFMMVEPSUSDTQU-UHFFFAOYSA-N 338.370 1.529 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CO[C@@H](Cc1cnccn1)C2 257239841 HRAXSOQENVRIEJ-INIZCTEOSA-N 327.432 1.824 0 40 EDAB CNC(=O)[C@]1(CCCc2cnccn2)CCCN(c2cnccn2)C1 257312371 UNPKSEDEIRCGRH-GOSISDBHSA-N 340.431 1.622 0 40 EDAB CN(C)c1ccc([C@@H](O)CNC(=O)C(=O)NCc2cccs2)cc1 90611906 PMUFXOSMEGAGLN-HNNXBMFYSA-N 347.440 1.280 0 40 EDAB Cc1csc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c1 390831498 SEAKENSYNXDEGT-LLVKDONJSA-N 328.401 1.503 0 40 EDAB O=C1CCCN1C[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 575404155 ABJHKJVBBPJSJT-OAHLLOKOSA-N 340.383 1.408 0 40 EDAB O=C(O)COc1ccc(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1 659760359 MOGZFPZPIMJLHH-ZDUSSCGKSA-N 331.328 1.977 0 40 EDAB Cn1nccc1/C=C/C(=O)N1CCC[C@]12CC(C)(C)O[C@H]2CC(N)=O 585287983 KRISAPQXIKTHPQ-MVWKGKBHSA-N 346.431 1.237 0 40 EDAB COCCOCCS(=O)(=O)Nc1ccc2nc(O)cc(C)c2c1 585140631 HVDMEAHOPLTFLH-UHFFFAOYSA-N 340.401 1.654 0 40 EDAB O[C@H]1CCN(C2CCOCC2)C[C@]1(O)COc1cccc(F)c1F 585288120 WSAKMAHDLNWSIL-RDJZCZTQSA-N 343.370 1.320 0 40 EDAB c1cnc(N2CCN(CCNc3cnc4ccccc4n3)CC2)nc1 44976839 CLFMDZGWRBGMTA-UHFFFAOYSA-N 335.415 1.654 0 40 EDAB CCCn1nc(C(=O)N2CCC(CN3CCCC3)CC2)ccc1=O 49072896 UYJVHLPKCKXCJD-UHFFFAOYSA-N 332.448 1.601 0 40 EDAB Cc1noc([C@H](C)NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)n1 69812498 VLTVXJPOCJEMTK-GXSJLCMTSA-N 340.449 1.893 0 40 EDAB CN1CCN([C@@H](Cc2ccc(Br)cc2)C(=O)O)CC1 84761952 ACSVWJPMIHXXFC-ZDUSSCGKSA-N 327.222 1.692 0 40 EDAB O=C(c1ccn(CC(F)(F)F)n1)N1CCC(Cn2cncn2)CC1 1615590616 MYARAURWTSTQFJ-UHFFFAOYSA-N 342.325 1.589 0 40 EDAB Cc1sc(=O)n(CC(=O)NCc2nccc(C(F)(F)F)n2)c1C 1615589449 CGZWHHJYKFWPMO-UHFFFAOYSA-N 346.334 1.652 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H](NCC2(CO)CC2)C2(CCOCC2)C1 1615572352 SHNPFEZAWHHVBV-CQSZACIVSA-N 340.464 1.765 0 40 EDAB CCn1ncc(Br)c1C(=O)N1CCN2CCC[C@H]2C1 2764302 YBCLOCJZXRXDQD-JTQLQIEISA-N 327.226 1.586 0 40 EDAB COCC(=O)N[C@H](C)c1nc2cc(-c3ccc(OC)cc3)ncn2n1 12085076 UOXUYBJVWHNLJX-LLVKDONJSA-N 341.371 1.624 0 40 EDAB CC(C)OC(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12145261 CFKANGVVBVHOAD-UHFFFAOYSA-N 326.356 1.873 0 40 EDAB COc1cccc(OC)c1OC[C@H](O)CN1C[C@H](C)O[C@H](C)C1 13361627 SVHIBLHKENVHQS-HZSPNIEDSA-N 325.405 1.553 0 40 EDAB CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 15421024 IOIUTTSNRMOAPC-UHFFFAOYSA-N 340.445 1.498 0 40 EDAB Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)C2CCCCC2)c1=O 23109211 KEKOKKXVRFMUAY-UHFFFAOYSA-N 347.415 1.377 0 40 EDAB Cn1nc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)ccc1=O 6648579 LEBVALSXUAURFG-UHFFFAOYSA-N 330.735 1.267 0 40 EDAB O=C(NC[C@@H]1CCCO1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888852961 ALOXVCIBFNMHJK-ZDUSSCGKSA-N 340.811 1.862 0 40 EDAB CC(=O)N1CCN(CCC(=O)Nc2ccnn2C2CCCC2)CC1 28843327 JJTIEZNDTDHYHX-UHFFFAOYSA-N 333.436 1.491 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CC(Cn2nc(C3CC3)ccc2=O)C1 1775985829 AGVQTDUWGVBKOM-UHFFFAOYSA-N 341.386 1.961 0 40 EDAB COC(=O)C1CN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)C1 240178541 YZKTVQPNZFFNKC-NSHDSACASA-N 340.763 1.148 0 40 EDAB CC(C)N1C[C@H]2[C@H]([C@H]3C[C@H]2CN(C(=O)C2(F)CC2)C3)S1(=O)=O 1565550324 YWJGNJGHOOZGCA-RVMXOQNASA-N 330.425 1.005 0 40 EDAB Cn1nccc1C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1 1565545947 PNARYRDZJQYUHM-UHFFFAOYSA-N 343.435 1.044 0 40 EDAB COCCN1C[C@@H]2CN(C(=O)c3cccc(OC(C)C)c3)C[C@@H]2C1=O 1565554780 ZQEIMRPZLIEPLB-WBVHZDCISA-N 346.427 1.651 0 40 EDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1F 4370550 IFQCXJNPWMNDTC-UHFFFAOYSA-N 341.346 1.432 0 40 EDAB CCn1cc(C(=O)NCCOC)c2nn(-c3ccccc3)c(=O)c-2c1 9661400 HJRCUHXOSYUWHE-UHFFFAOYSA-N 340.383 1.535 0 40 EDAB O=C(N[C@@H]1CCc2onc(CN3CCCC3)c2C1)c1ncccn1 2055730373 ZUZYHMUJMXRGSM-GFCCVEGCSA-N 327.388 1.348 0 40 EDAB O=C([C@@H]1CN(c2ncnc3ncccc23)CCO1)N1CCCCC1 2086854658 QRKIRGYWDOOWGH-AWEZNQCLSA-N 327.388 1.243 0 40 EDAB O=S(=O)(c1ccccc1)N1CCN(C[C@H](O)c2ccco2)CC1 27197071 KSDGNXGMNGOYDL-HNNXBMFYSA-N 336.413 1.320 0 40 EDAB CCN(Cc1ccccc1NC(=O)NCC(=O)NCC(C)C)C(C)=O 50055113 XRQCSTXHIZSZCP-UHFFFAOYSA-N 348.447 1.949 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)NCCCn3cccn3)CC2=O)c1 30165181 UXEIRWLRHIOYEE-AWEZNQCLSA-N 342.399 1.451 0 40 EDAB Cn1cc(CNCC2CCN(CCO)CC2)c(-c2ccncc2)n1 69431708 HXUGXJSFNJHNPA-UHFFFAOYSA-N 329.448 1.276 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@@H]2C)n(C)c1 40476001 ICLXILNDDLMCHS-NSHDSACASA-N 333.413 1.525 0 40 EDAB COCCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CCC4 2435957 FRYZAHIGOPXEIJ-UHFFFAOYSA-N 345.428 1.902 0 40 EDAB CN(C)c1cc(CNS(=O)(=O)c2cc(F)ccc2F)ccn1 40512765 ROHQLKWQVVSFFF-UHFFFAOYSA-N 327.356 1.904 0 40 EDAB CN(CCCNC(=O)c1cc(-c2ccccc2)no1)S(C)(=O)=O 40516476 WFXGUIOOXJXLLL-UHFFFAOYSA-N 337.401 1.353 0 40 EDAB CNC(=O)CN(C)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 40511940 BGSQQBSAXFPKNT-UHFFFAOYSA-N 341.293 1.104 0 40 EDAB CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 32073086 MJROVAIHDXLELD-NSHDSACASA-N 341.433 1.026 0 40 EDAB CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O 4713655 IXSNPCNZNIGQSE-QWHCGFSZSA-N 343.468 1.942 0 40 EDAB CCOC(=O)c1c(NC(=O)CNCCOC)sc2c1CCCC2 4860191 HULRWKHGIRQADX-UHFFFAOYSA-N 340.445 1.978 0 40 EDAB COc1ccc(-n2nc3c(c2NC(=O)C2CC2)C[S@@](=O)C3)cc1 6498262 LHIAGXGPTNZUKQ-QHCPKHFHSA-N 331.397 1.992 0 40 EDAB CCc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)c1 6679572 BSEIEVLFPOAQLT-UHFFFAOYSA-N 343.408 1.963 0 40 EDAB CS(=O)(=O)C1(C(=O)N2CCC[C@H](n3cccn3)C2)CCCC1 69432913 LBMSABIMEJLCRH-ZDUSSCGKSA-N 325.434 1.404 0 40 EDAB NC(=O)[C@H]1CCCCN1C(=O)COC(=O)C1(c2ccccc2)CC1 7542937 AGLBVJDHILYADE-CQSZACIVSA-N 330.384 1.128 0 40 EDAB O=C1NCCCC[C@H]1NCc1cc(Br)c2c(c1)OCO2 36977056 YMDWOWTXBWWWJU-LLVKDONJSA-N 341.205 1.936 0 40 EDAB Cc1noc([C@@H](C)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1 46093136 HLDZOZXOBHVVIW-GFCCVEGCSA-N 329.404 1.356 0 40 EDAB Cc1cc(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)c(C)s1 46050705 PUGFYGMUTZISBC-GOEBONIOSA-N 338.473 1.832 0 40 EDAB Cc1nnnn1-c1cccc(NCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 29686883 MOVXNFWGOFEJAO-BETUJISGSA-N 328.420 1.887 0 40 EDAB C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CCO1 8703891 FTYNZPIHLJFNCF-JTQLQIEISA-N 346.836 1.451 0 40 EDAB CNC(=O)[C@@H](NC(=O)CN1CCN(c2ccccc2)CC1)C(C)(C)C 52525311 NPHXCTWDVIKALM-QGZVFWFLSA-N 346.475 1.086 0 40 EDAB CC(C)[C@H](C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)c1ccccc1 80121323 PCNCTRVIIGNRKS-ZBFHGGJFSA-N 338.473 1.953 0 40 EDAB Cn1nnc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)n1 528155 ICJQVTPZRQUBLM-UHFFFAOYSA-N 331.188 1.644 0 40 EDAB Cc1cccc2c(=O)n(CCCC(=O)NC[C@H]3CCCO3)cnc12 22006147 OOZYJRYRIMUDKI-CQSZACIVSA-N 329.400 1.780 0 40 EDAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC(N2CCNC2=O)CC1 53282968 FQWSFXZYCYYGGD-QGZVFWFLSA-N 342.443 1.496 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CCCO2)cc1 28208310 PZSDDBKVYYTYJR-AWEZNQCLSA-N 340.445 1.165 0 40 EDAB Cc1cnc(C(=O)N2[C@H]3CC[C@H]2[C@]2(C3)NC(=O)c3ccccc3N2)cn1 100119679 PKVUSFNXLNWUNH-UVIMBBFXSA-N 349.394 1.714 0 40 EDAB C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)NCc1ccco1 7250366 RWADXTYVNRFMFG-NSHDSACASA-N 341.327 1.117 0 40 EDAB CN(Cc1ccccc1F)C(=O)C1CCN(S(C)(=O)=O)CC1 21894906 GEDCBWHIWPUCFJ-UHFFFAOYSA-N 328.409 1.456 0 40 EDAB NC(=O)COc1cccc(NC(=O)c2ccc3c(c2)OCCCO3)c1 22883041 KKQQUISXFISTFX-UHFFFAOYSA-N 342.351 1.964 0 40 EDAB NC(=O)C1CCN(C(=O)CNc2ccccc2OC(F)(F)F)CC1 22812309 FNNFOIZASAQZPR-UHFFFAOYSA-N 345.321 1.721 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCC(=O)NCc2cccnc2)c(C)c1 982592 ZRBLBSTVCMVIFD-UHFFFAOYSA-N 347.440 1.602 0 40 EDAB COc1ccccc1N1C(=O)C[C@H](N2CCCC[C@@H]2CCO)C1=O 22241510 POHZAGRWQWNMLR-HIFRSBDPSA-N 332.400 1.564 0 40 EDAB CCN(CC)S(=O)(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 23402221 YLPCMDWSSJRBLG-ZDUSSCGKSA-N 337.449 1.847 0 40 EDAB Cc1ccc(NC(=O)C[C@H](NCCN(C)C)C(=O)O)cc1Cl 22792432 VMJXNRJFWSFJGD-ZDUSSCGKSA-N 327.812 1.581 0 40 EDAB COc1ccccc1N(C(=O)C(F)(F)F)[C@H]1C=CS(=O)(=O)C1 1295416 QIUFGFKDPQBGCE-VIFPVBQESA-N 335.303 1.901 0 40 EDAB Cc1cnn([C@H]2CCCN(CCNS(=O)(=O)c3ccccc3)C2)c1 105901559 ZYAPVAHWNIQQJQ-INIZCTEOSA-N 348.472 1.807 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)c3ccccc32)C1 24602520 OQPUHQZTHCPMSP-HIFRSBDPSA-N 344.411 1.938 0 40 EDAB CC(C)N(CCNC(=O)C1CCN(Cc2nccn2C)CC1)C(C)C 43284840 BHGWMWMUOXPSLW-UHFFFAOYSA-N 349.523 1.867 0 40 EDAB O=C(CN1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1)N1CCCCCC1 110567606 DUDQCZWUYVUDOT-BZSNNMDCSA-N 347.503 1.969 0 40 EDAB COc1ccc(-c2nnc(CN3CCN(C[C@H](C)O)[C@H](C)C3)o2)cc1 106868083 KIGZPMQBDFUUQH-KGLIPLIRSA-N 346.431 1.632 0 40 EDAB CCn1cc([C@@H]2OCC[C@H]2CN[C@H](C)C(=O)Nc2cc(C)on2)cn1 107353855 YOMHKZWEDPNHSY-DVOMOZLQSA-N 347.419 1.894 0 40 EDAB Cc1ccnc2nc(C(=O)N3CCN(Cc4ccsc4)CC3)nn12 26320392 SWTGBRUJHGMUAV-UHFFFAOYSA-N 342.428 1.452 0 40 EDAB CN1CCC[C@@H]2CN(C(=O)NCc3ccccc3OCCO)CC[C@@H]21 119032371 XQKBOCNTAHCIMN-SJORKVTESA-N 347.459 1.683 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccc2Cl)CC1 57383395 GBKLMUXKAJEMBT-GFCCVEGCSA-N 338.839 1.696 0 40 EDAB COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@H]1CCO[C@@H]1O2 2029395 WPCVRWVBBXIRMA-CQLKUDPESA-N 330.292 1.737 0 40 EDAB endogenous,in-man CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H]1CCN(C2CC2)C1 58148809 FDHZNQCUQAFIRE-QFBILLFUSA-N 343.471 1.723 0 40 EDAB Cc1nc(S(=O)(=O)Nc2cc(C(=O)O)c(F)cc2F)cn1C 58254442 XFGXSXPMRMPNOW-UHFFFAOYSA-N 331.300 1.506 0 40 EDAB C[C@H](NC(=O)NCCc1cccnc1)C(=O)NCc1ccccc1 58247767 OHZWWLMOTBKQDY-AWEZNQCLSA-N 326.400 1.628 0 40 EDAB C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 58279576 VBENGQVRURLJRY-WFASDCNBSA-N 335.433 1.862 0 40 EDAB COc1cccc(CCC(=O)NC[C@H]2CCS(=O)(=O)C2)c1OC 44907951 UACYRSSDSQJENV-GFCCVEGCSA-N 341.429 1.187 0 40 EDAB Nn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nncc1=O 27546295 YGKVWPVSMZYJAR-UHFFFAOYSA-N 346.199 1.390 0 40 EDAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2nnc(C)s2)n1 10503390 KVNZQWYLQXWQKT-UHFFFAOYSA-N 325.419 1.613 0 40 EDAB O=C1CN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CCN1 12736428 IUNCEPKTVOSBQT-UHFFFAOYSA-N 328.347 1.072 0 40 EDAB COc1cccc(-c2nnn(C[C@@H](O)COc3ccc(F)cc3)n2)c1 12761740 ADIGZHVTZHSWCX-CQSZACIVSA-N 344.346 1.928 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)cc1=O 68141356 LGOVMAIQTADOTD-MRXNPFEDSA-N 340.379 1.733 0 40 EDAB C[C@@H](CNS(=O)(=O)c1cccc(C(=O)O)c1)N1CCCC[C@H]1C 48279955 ZYRNBLCWQLAIQX-OLZOCXBDSA-N 340.445 1.926 0 40 EDAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)NCCOc1ccccc1 48263637 QKUOBMKFGSNSTB-UHFFFAOYSA-N 344.411 1.891 0 40 EDAB CC(C)c1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)nn1C 81091614 PJTAUSCSQWEZTK-CYBMUJFWSA-N 334.420 1.053 0 40 EDAB O=C(COC(=O)c1ccc(F)cc1F)NC(=O)NC1CCCC1 3513371 SGUWIBVTZRGCAA-UHFFFAOYSA-N 326.299 1.890 0 40 EDAB CC(C)N(CC(N)=O)CC(=O)NCc1cc(Br)cs1 48559065 VQXNZLTYPOJDGS-UHFFFAOYSA-N 348.266 1.323 0 40 EDAB COc1ccc(O)c(C(=O)OCC(=O)NCCc2ccccc2)c1 7983607 MEQTUOSDJLRXBE-UHFFFAOYSA-N 329.352 1.917 0 40 EDAB Cc1occc1C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 69588435 UJHYQBZDTANAHP-UHFFFAOYSA-N 331.376 1.834 0 40 EDAB O=C(c1ccc(N2CCOCC2)c(F)c1)N1CCCN2CCC[C@H]2C1 69563410 JJTCXXFECLLVOJ-INIZCTEOSA-N 347.434 1.973 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ncn[nH]1)n2CC 8154826 LUMQHJAWVPTDDG-UHFFFAOYSA-N 349.420 1.117 0 40 EDAB CC(C)NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccn1 13732612 SVUVRBPCJWSFTI-UHFFFAOYSA-N 340.383 1.475 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 69532635 JPLXMHXRCMLQPD-OAHLLOKOSA-N 346.431 1.714 0 40 EDAB O=C(NCCN1CCCCC1)C(=O)Nc1cccc2nsnc12 13725717 QATISLDFJBVNAD-UHFFFAOYSA-N 333.417 1.232 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)c(C)c1 6236327 YRJSVODIEGMMLP-UHFFFAOYSA-N 336.457 1.936 0 40 EDAB Cc1cc2ncn(C[C@@H](O)CN[C@H](C)Cn3cccn3)c2cc1C 69390129 IWZYKXATVOWPQN-CVEARBPZSA-N 327.432 1.889 0 40 EDAB CC(C)[C@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)NC(N)=O 6419559 FELCJGXCGJJEKC-AWEZNQCLSA-N 338.335 1.551 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 65611175 YBDGZWINSHRFLI-HNNXBMFYSA-N 334.445 1.386 0 40 EDAB CCc1cc2c(=O)n(NC(=S)NCCCOC)cnc2s1 6549527 KXIWTWORGZGQGZ-UHFFFAOYSA-N 326.447 1.475 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1cccc(N2CCCC2)c1 69654689 SEDJKXLQTBWWGC-UHFFFAOYSA-N 346.431 1.208 0 40 EDAB COC(=O)CCNC(=O)Nc1ccccc1I 69982576 MIRWASZCENKPNR-UHFFFAOYSA-N 348.140 1.976 0 40 EDAB COc1cc(F)c(NC(=O)C(=O)NCc2ccc(O)cc2)cc1OC 71886085 HRFNBLRBGQQNSR-UHFFFAOYSA-N 348.330 1.803 0 40 EDAB O=C(Nc1ccncc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 71893621 WQYHXPYWVRWADD-QGZVFWFLSA-N 326.400 1.965 0 40 EDAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)C[C@@H]1C=CS(=O)(=O)C1 71847423 JPKJBNSKFUWGCU-SMDDNHRTSA-N 335.381 1.066 0 40 EDAB COc1ccc(CCC(=O)N2CCN([C@H]3C[C@H](C)OC3=O)CC2)cc1 71832827 UHRUPIYATQATSH-YOEHRIQHSA-N 346.427 1.476 0 40 EDAB CN(c1ccc(CN[C@@H](C(N)=O)c2ccccc2)cc1)S(C)(=O)=O 71897498 SLIDBQBBKKZROV-MRXNPFEDSA-N 347.440 1.399 0 40 EDAB CC(C)c1nc2n(n1)C[C@@H](NCc1nc(-c3ccccn3)no1)CC2 71877609 FJCXOHRBXGXYNE-LBPRGKRZSA-N 339.403 1.951 0 40 EDAB O=C1N[C@H](C(=O)NCc2cccnc2-n2cnc3ccccc32)CO1 67816912 YPTMDULBFSTUGE-ZDUSSCGKSA-N 337.339 1.145 0 40 EDAB CNC(=O)COc1ccccc1CNC[C@H]1CCCn2ccnc21 83881838 NOMWJWQEWLDRNF-OAHLLOKOSA-N 328.416 1.675 0 40 EDAB CC(C)Oc1ccc(CNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cn1 89890855 LTFUKUIQPAWVDW-CYBMUJFWSA-N 341.433 1.197 0 40 EDAB CCC(CC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 9499528 JVAURHDQBOBYPA-SFHVURJKSA-N 347.415 1.767 0 40 EDAB CNS(=O)(=O)CC(=O)NCc1ccccc1Oc1ccccc1C 83607923 GJJNFUAEQLBWCI-UHFFFAOYSA-N 348.424 1.953 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)Cc2ccc(-n3cnnn3)cc2)C12CCC2 89985680 WVFOONWTPAOZSX-JKSUJKDBSA-N 341.415 1.669 0 40 EDAB Cc1nc2sc(C(=O)OCC(=O)c3ccc[nH]3)c(C)c2c(=O)[nH]1 9842534 XSZXRHHEOIPMJX-UHFFFAOYSA-N 331.353 1.969 0 40 EDAB C[C@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)C[C@@H]1N1CCOCC1 76051748 DKOBXUNZWGVYEY-HOCLYGCPSA-N 346.427 1.527 0 40 EDAB CC[C@H](C)[C@](C)(O)CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 72293159 AXNRPKQRISGBLA-ORAYPTAESA-N 346.427 1.863 0 40 EDAB COC(=O)c1ccnc(NC(=O)C[C@@H](C)NC(=O)C2CCCC2)c1 72284924 DNSSXKFEZMFBQF-LLVKDONJSA-N 333.388 1.892 0 40 EDAB CCN1CCC(CCNC(=O)c2n[nH]c(=O)c3ccccc23)CC1 72297554 YFPJYNMVIXWJJG-UHFFFAOYSA-N 328.416 1.775 0 40 EDAB CCC[C@@H](C)c1cc(NC(=O)Cn2nc3ccccn3c2=O)[nH]n1 97049038 JVQJQUAGPHELMB-LLVKDONJSA-N 328.376 1.761 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 76087087 JNDWYKRPBQJZOR-CQSZACIVSA-N 345.451 1.351 0 40 EDAB CC(C)(C)c1n[nH]c([C@@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)n1 76049978 CCKXFJKAQDIIET-KBPBESRZSA-N 343.431 1.702 0 40 EDAB C[C@@H](c1ccccn1)N(C)Cc1cnc(N2CCN(C)CC2)nc1 97113639 PDUFLJKUJGGCCO-HNNXBMFYSA-N 326.448 1.816 0 40 EDAB O=C(NCc1ccc(-c2nnn[nH]2)cc1)c1cccc(-n2ccnc2)c1 95398309 MJNHKBPFMSPCPK-UHFFFAOYSA-N 345.366 1.982 0 40 EDAB O=C(NC[C@H](O)CN1CCOCC1)c1ccc(-n2cccc2)c(F)c1 95442328 KRXYPDQAQNXPKO-HNNXBMFYSA-N 347.390 1.039 0 40 EDAB C[C@H]1C(=O)Nc2cccnc2N1S(=O)(=O)c1cc(F)cc(F)c1 95466337 NANVNHXZRAXGRI-QMMMGPOBSA-N 339.323 1.896 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)N3CCCCC3=O)CCO2)n1 78889722 SFQAOWIEQXAPNJ-CHWSQXEVSA-N 349.435 1.058 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)ccn1 79361861 KVVNONAIMUYMPD-ZBFHGGJFSA-N 327.388 1.672 0 40 EDAB Cc1ccc(OCCNC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cc1 95962749 AEUKRZMFHPEAPX-NVXWUHKLSA-N 345.443 1.884 0 40 EDAB COc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1C 95952855 GEYPRXWBCUZLII-UHFFFAOYSA-N 342.399 1.720 0 40 EDAB CCN(CC)CCNCC(=O)N1CCN(c2ccccc2F)CC1 22034494 PHPXFVCOUQNKCI-UHFFFAOYSA-N 336.455 1.406 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)Nc1cccnc1N1CCCC1 89364933 IJENWWAURDWDKL-UHFFFAOYSA-N 341.419 1.883 0 40 EDAB O=C(Nc1ccon1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 28304339 OHWZUOJPVJJFOO-LBPRGKRZSA-N 335.385 1.714 0 40 EDAB O=C(N[C@H]1CNC[C@H]1O)c1cccc(OCc2cccc(Cl)c2)c1 1548572352 LNVDAZINROAWDV-DLBZAZTESA-N 346.814 1.982 0 40 EDAB CCc1oc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCCN3)C2)cc1C 122162192 CUQLOLXRFIPLMG-LSDHHAIUSA-N 347.459 1.871 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 35099494 YFVCNOUJRMZBJC-LDDOYCOJSA-N 327.336 1.371 0 40 EDAB O=C(NCCN1C(=O)CCCC1=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 528677443 BHZJFGJRRNICTL-CABCVRRESA-N 332.375 1.975 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CNC(=O)c2ccccc2)C1 78929440 QIOJXHWFFNTYBL-CQSZACIVSA-N 347.415 1.542 0 40 EDAB Cc1ccc(NC(=O)c2cc(Cl)ccn2)cc1S(N)(=O)=O 32820613 HRDIWMICWPRISY-UHFFFAOYSA-N 325.777 1.943 0 40 EDAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)C(=O)NC1CCCC1 70636526 ULMNWCJMSBBIRX-OAHLLOKOSA-N 344.333 1.612 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)Nc3nnc(C)s3)CC2=O)cc1 30612354 YNKJCMFUDPNVKR-JTQLQIEISA-N 332.385 1.847 0 40 EDAB Cc1nc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2O)c(C)o1 563700675 JGCLXTOPTFFSFM-IUCAKERBSA-N 332.360 1.785 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NCc2ccccc2F)[C@@H]1O)c1ccccc1 77264364 IUGVDCCFFABLJJ-KURKYZTESA-N 344.386 1.474 0 40 EDAB biogenic,in-vitro CCCN(CCC)S(=O)(=O)c1cnccc1N1CCNCC1 72210641 APLLAEAHRAYLGK-UHFFFAOYSA-N 326.466 1.302 0 40 EDAB CNC(=O)CN1CCC(CN(C)Cc2ccccc2N(C)C)CC1 75765134 MHZJZYSJMXFHJP-UHFFFAOYSA-N 332.492 1.642 0 40 EDAB COc1cccc(CNC(=O)CN2CC[C@H](c3n[nH]c(C)n3)C2)c1 560718268 UGGJBYYUGLNJJI-AWEZNQCLSA-N 329.404 1.227 0 40 EDAB Cc1ncc(CNC(=O)NCCn2c(=O)oc3ccccc32)s1 78604825 KUWORFOUVVRNHC-UHFFFAOYSA-N 332.385 1.859 0 40 EDAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(Cc2nccn2C)CC3)C1 72389581 CBKAGMWFQYOLEB-ZDUSSCGKSA-N 342.447 1.298 0 40 EDAB CCCN1CCC[C@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 78914586 QYOFROINLQLLAT-SFHVURJKSA-N 336.524 1.347 0 40 EDAB CN1CCC[C@@H](c2cnc(CCC(=O)NC3CCOCC3)cn2)C1 72366866 SRBXUBMIGJAWFM-CQSZACIVSA-N 332.448 1.514 0 40 EDAB CCC(=O)N1CC[C@@H](N[C@H](CN2CCOCC2)c2ccccc2C)C1 183725241 JDNKRTVSOIPLNQ-IEBWSBKVSA-N 345.487 1.969 0 40 EDAB CN(C)c1ncc2c(n1)CN(CCc1ccc3c(c1)OCO3)C2=O 46087105 PDESASWCDUTCED-UHFFFAOYSA-N 326.356 1.470 0 40 EDAB O=C(Cn1cc(COc2ccccc2F)nn1)NCc1ccccn1 227162898 GAHBCPZAKNYLIN-UHFFFAOYSA-N 341.346 1.708 0 40 EDAB COCCOc1cc(CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)ccn1 225521113 XPFCLGXHCAZBAY-CQSZACIVSA-N 344.415 1.560 0 40 EDAB COc1ccc(NC(=O)C(C)(C)CNS(C)(=O)=O)cc1Cl 225959270 RJKWREVBUFKIMB-UHFFFAOYSA-N 334.825 1.863 0 40 EDAB CC(C)(C)NC(=O)N1CCN(C(=O)c2cnn3ccccc23)CC1 75170994 AMGDLXBORMGHFD-UHFFFAOYSA-N 329.404 1.600 0 40 EDAB COC(=O)[C@@H](C)NC(=O)N1CCN(c2nsc3ccccc23)CC1 80332281 RDSVWVODGRENRE-LLVKDONJSA-N 348.428 1.689 0 40 EDAB Cc1cc(NC(=O)N2CCO[C@H]([C@@H](C)O)C2)nn1C1CCCCC1 332613999 CIEHCALRQZVPPG-HIFRSBDPSA-N 336.436 2.310 0 40 EDAB Cn1cccc1C(=O)N1CC[C@]2(C[C@H](Nc3cccnc3)CO2)C1 96218993 LCAFNLGTEDNFGP-YJBOKZPZSA-N 326.400 1.906 0 40 EDAB CC(C)NC(=O)N1CCOC[C@@]2(C[C@H](CNc3ccccn3)CO2)C1 96240472 QXEBQERSMXHXLR-CRAIPNDOSA-N 348.447 1.719 0 40 EDAB O=C(c1ccnnc1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 96161342 PWBUVJZUUGGBIN-MRXNPFEDSA-N 336.395 1.613 0 40 EDAB Cc1ccnc(OC[C@H]2CN(C(=O)CC3CC3)Cc3cncn3C2)n1 96216540 BPOMMSFXODMTCW-HNNXBMFYSA-N 341.415 1.819 0 40 EDAB Cc1nc(CN2CCN(C)C(=O)C23CCN(C(C)C)CC3)cs1 96050122 BLGRQFKBMMKQQO-UHFFFAOYSA-N 336.505 1.969 0 40 EDAB Cn1cc([C@@H]2CC3(CCN(C(=O)c4cccs4)CC3)NC2=O)cn1 96069624 QQSQJFUFBKMSHP-ZDUSSCGKSA-N 344.440 1.760 0 40 EDAB CN1CCCc2ccc(S(=O)(=O)Nc3ccc4nncn4c3)cc21 97234012 AEEDOVFIULNGIQ-UHFFFAOYSA-N 343.412 1.913 0 40 EDAB Cc1ncccc1NC(=O)[C@H]1CO[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]21 96215939 PYNMLZSXKJXQAD-HLLBOEOZSA-N 341.415 1.209 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCC(Oc2cccnn2)CC1 96119336 UNVMXVODTIBTGN-MRXNPFEDSA-N 341.367 1.686 0 40 EDAB Cc1c(S(=O)(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)cnn1C 582038630 STRMIPDFQZTSNK-DOMZBBRYSA-N 335.429 1.879 0 40 EDAB Cn1ccnc1CN1CC[C@]2(CCCN(c3ncc(F)cn3)C2)C1 96158299 YOCJONCARILCKE-QGZVFWFLSA-N 330.411 1.842 0 40 EDAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(C(=O)c4ccccc4F)CC[C@@H]23)n1 96216965 MXWRBVUGQZDVLU-IOASZLSFSA-N 344.390 1.972 0 40 EDAB CCN1CC2(CCN(C(=O)c3ccc(C)o3)CC2)[C@@H](COC)C1=O 96206025 OSZINPSNAVQFDP-AWEZNQCLSA-N 334.416 1.935 0 40 EDAB Cc1ncsc1CN1Cc2ccnn2[C@H](C(=O)N2CCOCC2)C1 248010904 GAUVIYLIYSKXOA-AWEZNQCLSA-N 347.444 1.064 0 40 EDAB Cc1nc([C@H]2CCN(CC(=O)NCc3ccc(Cl)cc3)C2)n[nH]1 583308612 BOABEOORZQPDMK-ZDUSSCGKSA-N 333.823 1.872 0 40 EDAB CCNS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 241911262 UBASFUXXEMJYKQ-ZDUSSCGKSA-N 328.825 1.607 0 40 EDAB COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)Cc1ccccc1C)C2 248166300 RNFVNOGHVBXVAL-HNNXBMFYSA-N 337.441 1.200 0 40 EDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1cccc(-n2cnnc2)c1 257284648 PDRIJELQHQKAIR-HNNXBMFYSA-N 338.371 1.513 0 40 EDAB CN(CCC(=O)N1CCO[C@@H](c2cnccn2)C1)Cc1ccccn1 257306914 SWOFOQDTJRMMBD-QGZVFWFLSA-N 341.415 1.294 0 40 EDAB Cc1cc(C)n(CCCC(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)n1 257304467 SLUPQODYOJWNFN-JFIYKMOQSA-N 345.447 1.748 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257261374 LHAIBULDNDAQRT-OAHLLOKOSA-N 329.404 1.618 0 40 EDAB Cc1cnc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)c4cccnn4)C[C@@H]32)cn1 257318365 VNPIBGRVWGMIBS-IJEWVQPXSA-N 338.415 1.562 0 40 EDAB CCOc1cc(C)ccc1CNC(=O)N1CC[C@H](S(C)(=O)=O)C1 252485806 HEVBJCYZWMITNR-AWEZNQCLSA-N 340.445 1.722 0 40 EDAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 257283851 PADFGMJPDVPHEI-HNNXBMFYSA-N 332.448 1.902 0 40 EDAB O=C(CCOc1ccccc1)N1CCOC[C@H](Cc2ccncn2)C1 257218078 DBUKWXIDXDVJRI-MRXNPFEDSA-N 341.411 1.963 0 40 EDAB CCCn1cc(CN2CC[C@@H](c3ncc(CNC(C)=O)[nH]3)C2)cn1 257241491 HYFOZZPQRPYJIL-OAHLLOKOSA-N 330.436 1.642 0 40 EDAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc2nc(O)[nH]c2c1)C1CC1 585081656 BYBQCZQGWKUTOY-ZDUSSCGKSA-N 347.400 1.432 0 40 EDAB OCCOc1ccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 257327139 XACJYDIZKULTTO-RTBURBONSA-N 329.396 1.682 0 40 EDAB COC(=O)[C@H]1CN(C(=O)NCC(C)(C)c2ccncc2)C[C@@H](C)O1 252499458 SAXXZRJMEDFGIJ-TZMCWYRMSA-N 335.404 1.331 0 40 EDAB CC(C)(C)c1cc(C(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)[nH]n1 257265617 LZLSJSWADJBICP-SFHVURJKSA-N 343.431 1.473 0 40 EDAB CN1C(=O)c2ccc(C(=O)N3CCC[C@H](CCC(=O)O)C3)cc2C1=O 262158805 MYQFYBIHZHMCPX-LLVKDONJSA-N 344.367 1.629 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)[C@@H]1NCCOc2ccccc21 1615615528 RGAKLVXTHWCWFL-QGZVFWFLSA-N 328.416 1.879 0 40 EDAB COC[C@@H]1CN(C)C2(C1)CN(S(=O)(=O)c1ccc(Cl)cc1)C2 585093967 UGOHVBIYZZSDJT-LBPRGKRZSA-N 344.864 1.681 0 40 EDAB CC(C)CCN1C[C@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@H]2C1 585106052 HYKZELXHDXOWSL-CVEARBPZSA-N 343.475 1.540 0 40 EDAB CC(C)[C@H](CNC(=O)[C@H]1CC(=O)Nc2ccccc21)N1CCOCC1 41934533 QHEVHWTUGONELY-RDJZCZTQSA-N 345.443 1.585 0 40 EDAB O=C1SCCN1CN1CCN(S(=O)(=O)c2ccccc2)CC1 55103996 HJWBUOOAFPZCHQ-UHFFFAOYSA-N 341.458 1.119 0 40 EDAB Cc1cc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc(N)n1 52358554 FCJGTHQEZRBSRA-UHFFFAOYSA-N 347.444 1.764 0 40 EDAB O[C@H]1[C@H](NCc2ccccc2Cl)[C@H]2CO[C@H](O2)[C@@H]1n1ccnc1 952844953 WFGXJAWTSAQXOP-DGXTUMSLSA-N 335.791 1.352 0 40 EDAB biogenic,in-vitro Cc1cc(Br)ccc1S(=O)(=O)NCc1cnn(C)c1 133283031 BLMPRMDKPPTHCB-UHFFFAOYSA-N 344.234 1.970 0 40 EDAB CCCOc1cccc(CNC(=O)CN[C@]23CCC[C@H]2NCC3)c1 1615059193 WZVNUBUEURTLJX-MJGOQNOKSA-N 331.460 1.966 0 40 EDAB Cc1nc(NC(=O)[C@@H](C)N[C@H](C(N)=O)c2ccccc2)sc1C 1615588034 BKDBYELRQJOAIT-MFKMUULPSA-N 332.429 1.903 0 40 EDAB CCNc1ncnc2cc(C(=O)N3CC4(CN(C)C(=O)O4)C3)ccc12 1615621162 KAEIONSYESGHIU-UHFFFAOYSA-N 341.371 1.338 0 40 EDAB N=C(N)NC(=O)c1cnn(-c2cccc3[nH]c(=O)ccc23)c1C1CC1 33968848 RAXYIGUUSAQMES-UHFFFAOYSA-N 336.355 1.214 0 40 EDAB in-vitro Cc1cc(NC(=O)Cn2nc(-c3c(C)nn(C)c3C)ccc2=O)no1 13225831 CNFPJKLJFQPJKP-UHFFFAOYSA-N 342.359 1.196 0 40 EDAB Cc1ccc2nc(C(=O)N3CCN(CCOC(C)C)CC3)cn2c1 19234347 SEUGURWBCDBMGH-UHFFFAOYSA-N 330.432 1.826 0 40 EDAB CCOC(=O)c1csc(=O)n1Cc1ncn(-c2ccccc2)n1 156740341 AKJXXSMAOGXOEW-UHFFFAOYSA-N 330.369 1.716 0 40 EDAB O=C(c1cn[nH]c1)N1C[C@@H](O)[C@@]2(C[C@@H](c3cccc(F)c3)CO2)C1 643585976 KDXBHAIVGPUQHC-SRCQZFHVSA-N 331.347 1.308 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(n2c(O)nc3ccccc3c2=O)CC1 238827968 FEXXMBNUJIAFSE-OAHLLOKOSA-N 343.383 1.445 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)C5CCC5)C[C@H]4C3)n1)CCC2 1888854147 ANQQAKFQNPNPSS-HUUCEWRRSA-N 326.444 1.968 0 40 EDAB Cn1ncc2c(N3CC(Cn4cc(Br)cn4)C3)ncnc21 1889134457 POGYRZGBYQVCHX-UHFFFAOYSA-N 348.208 1.459 0 40 EDAB CCCN(C(=O)Cc1noc2ccccc12)[C@@H]1CCS(=O)(=O)C1 28246336 WWOQCMBLGVFPSR-GFCCVEGCSA-N 336.413 1.796 0 40 EDAB Cc1ccc(-c2cc(C(=O)NCCCNS(C)(=O)=O)on2)cc1 31284823 DSTVTQPUZCOILH-UHFFFAOYSA-N 337.401 1.319 0 40 EDAB O=C([C@@H]1CSCN1)N1CCc2c(Br)cccc2C1 157271703 OHWCWWLSTCCWHM-LBPRGKRZSA-N 327.247 1.996 0 40 EDAB CC(C)[C@H](Cn1nccn1)NC(=O)c1cc2ccccc2oc1=O 238955161 XUPVVJRYGDPDSJ-AWEZNQCLSA-N 326.356 1.839 0 40 EDAB O=C(c1sccc1F)N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1 2056224701 QDVJAXDERRWALK-RYUDHWBXSA-N 334.376 1.407 0 40 EDAB C[C@@H]1CN(C(=O)C2(F)CC2)C[C@]12CCN(Cc1cccnc1)C2=O 1614936854 PRNGNHNMLOSZAD-CXAGYDPISA-N 331.391 1.781 0 40 EDAB O=C(CCc1cncnc1)N1CCC[C@@]2(C[C@H](n3ccnc3)CO2)C1 1565549099 PUXRDNLWHAPHNF-FUHWJXTLSA-N 341.415 1.629 0 40 EDAB CC1CCC(C(=O)N2CCC3(CC(NS(C)(=O)=O)C3)C2)CC1 1565552635 QOTRTKWHJDXCHA-UHFFFAOYSA-N 328.478 1.743 0 40 EDAB O=C(N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1)C1(F)CCC1 1565545942 PKCOYDPZAHRBGP-MRXNPFEDSA-N 334.395 1.567 0 40 EDAB Cc1cnc2c(c1Nc1ccc(N(C)C)cc1)c(=O)n(C)c(=O)n2C 12226819 XVBPVKSAJPEYQH-UHFFFAOYSA-N 339.399 1.750 0 40 EDAB Cc1ncoc1C(=O)N[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055730295 VSTROZVTWUHLSE-LBPRGKRZSA-N 346.387 1.091 0 40 EDAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(Cc2cnn(C)c2)C1 2055751405 UDETYTZCTDJTGG-IBGZPJMESA-N 341.459 1.955 0 40 EDAB CC(=O)N1CCC[C@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 2055834973 NCTWNCHWGSYHHP-KRWDZBQOSA-N 330.388 1.197 0 40 EDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC[C@@H](N2CCOC2=O)C1 606440543 ADWFGUKQIYXLLZ-NWDGAFQWSA-N 348.355 1.236 0 40 EDAB O=S(=O)(c1ccc(Br)s1)N1CC(n2nccn2)C1 888106935 GFSGIGASMZVSIA-UHFFFAOYSA-N 349.235 1.348 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)s2)cn1 40161429 WVIARXOENCBZDX-UHFFFAOYSA-N 341.414 1.589 0 40 EDAB Cc1nc(CCNC(=O)c2cccnc2N2CCOCC2)cs1 30992676 WLIORUVZCDNYIM-UHFFFAOYSA-N 332.429 1.656 0 40 EDAB O=C(NCc1nc2ccccc2s1)c1cnc2n(c1=O)CCS2 31099022 DWJLRWRESJRISZ-UHFFFAOYSA-N 344.421 1.889 0 40 EDAB Cc1cc(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)no1 58750182 XQTKRMFFNOQMBX-LLVKDONJSA-N 338.161 1.702 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(Cn2cncn2)cc1 45323236 RJAMSLBRIHSHIB-KRWDZBQOSA-N 343.431 1.894 0 40 EDAB C[C@@H](CCc1ccc(O)cc1)NC(=O)NC[C@@H]1CCS(=O)(=O)C1 45380117 DISNZUCGVVCASN-JSGCOSHPSA-N 340.445 1.447 0 40 EDAB Cc1nc(CCNC(=O)N2CCN(Cc3ccncc3)CC2)cs1 45490073 CBRKEAKVWFUILX-UHFFFAOYSA-N 345.472 1.916 0 40 EDAB C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc([S@@](C)=O)cc1 90018526 UIXBMWGHNVUKCC-BYODXXBYSA-N 346.456 1.614 0 40 EDAB Cn1ncc2c(N3CCN(Cc4cccc(F)c4)CC3)ncnc21 40488138 MXUHBJQQKBKCLB-UHFFFAOYSA-N 326.379 1.825 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCC(=O)N1CCC(C(=O)Nc2ccncc2)CC1 31374669 VHKJRNQJXHVUTC-IUODEOHRSA-N 344.415 1.031 0 40 EDAB Cc1ccc(C(=O)NC2CCN(c3ncnc4c3cnn4C)CC2)o1 50954127 FSXXNBYXEYICOT-UHFFFAOYSA-N 340.387 1.664 0 40 EDAB NC(=O)Cn1c(=O)cc(-c2nc(-c3cccnc3)no2)c2ccccc21 67318429 TVHOWEOMANWORS-UHFFFAOYSA-N 347.334 1.599 0 40 EDAB O=C(NCCc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 3061085 YIRMKXQHSKOLNI-UHFFFAOYSA-N 344.342 1.530 0 40 EDAB CCOc1ncccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 40548586 BBRSWFLVCNNOCK-LLVKDONJSA-N 327.406 1.090 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCN(Cc2cccnc2)CC1 40527129 YINDFLCAMGKCCL-UHFFFAOYSA-N 326.466 1.176 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 3597249 HHYWFAXDEYTRHS-NSHDSACASA-N 333.344 1.320 0 40 EDAB COc1ccc(C(=O)[C@H](C)n2cnc3c2c(=O)[nH]c(=O)n3C)c(F)c1 4606915 STUIHWQAIBPNGD-QMMMGPOBSA-N 346.318 1.015 0 40 EDAB O=C(CN1CCc2cncnc2C1)Nc1ccc(Br)cn1 69489543 ZTXIFAPXQLWIIR-UHFFFAOYSA-N 348.204 1.631 0 40 EDAB Cc1noc(C)c1C(=O)NCCCN1CCN(c2ncccn2)CC1 32333696 BNTHOYXGNMEKKP-UHFFFAOYSA-N 344.419 1.024 0 40 EDAB O=C(COc1ccc2c(c1)CCC(=O)N2)NCCc1ccccn1 32657373 PNRUNHYCLAGOAV-UHFFFAOYSA-N 325.368 1.704 0 40 EDAB COC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](C)NC(C)=O)CC1 21201614 PTJILVWUUOEOGN-CYBMUJFWSA-N 332.400 1.244 0 40 EDAB CCOc1ccc(CN2CCN(C(=O)c3nccnc3N)CC2)cc1 21476588 RMLUUDBCZMFDLD-UHFFFAOYSA-N 341.415 1.416 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1ccc(N2CCOCC2)nc1 32893134 ZOFYBWZYOWZNQR-UHFFFAOYSA-N 329.404 1.199 0 40 EDAB C[C@]12[C@@H]3[C@H]4[C@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@]41Br)C21OCCO1 102475434 QKDMEDBNNOGXJP-SVLATXMHSA-N 341.201 1.378 0 40 EDAB COc1ccccc1C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 69809788 YLQKXHMTHWPMQX-UHFFFAOYSA-N 349.408 1.908 0 40 EDAB Cn1cccc1[C@@H]1CCCCCN1C(=O)Cn1ccc(=O)n(C)c1=O 32948520 MVLGSQWJUBYJNS-HNNXBMFYSA-N 344.415 1.029 0 40 EDAB CCOc1ccccc1N1C(=O)C[C@H](N2CCN(CC)CC2)C1=O 101274168 NOCGLKSVECQUJD-HNNXBMFYSA-N 331.416 1.355 0 40 EDAB COc1ccc(C(=O)NCC(=O)OCC(=O)NC2CCCC2)cc1 2656817 YGKCAELVFMBBMB-UHFFFAOYSA-N 334.372 1.027 0 40 EDAB COCCN1CCN(CCCc2nnnn2-c2ccccc2)C[C@@H]1C 69951892 FKQAMQDKYNDANZ-INIZCTEOSA-N 344.463 1.247 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 69919085 USOLBXMCPHRYJW-GFCCVEGCSA-N 345.896 1.358 0 40 EDAB Cn1ccc(C(=O)N2CCC3(CC2)CC(Nc2ncccn2)C3)n1 108530109 DWOGEIBJQUFCTF-UHFFFAOYSA-N 326.404 1.707 0 40 EDAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)C1 75126641 JCWBLZVZAFZROH-CQSZACIVSA-N 349.431 1.857 0 40 EDAB C[C@@H]1CN([C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)CCO1 103446635 HGVPPHPHHRNLRV-CHWSQXEVSA-N 331.416 1.860 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCCN1CCOCC1 53955108 LMZRBHRHEMKHCH-OAHLLOKOSA-N 349.431 1.190 0 40 EDAB CC[C@@H](C)NC(=O)CN1CCN(Cn2c(=O)oc3ccccc32)CC1 22915074 XDALZOMHLZWSCV-CQSZACIVSA-N 346.431 1.084 0 40 EDAB COc1ccc(-c2nnc(SCC(=O)N3CCN(C)CC3)o2)cc1 23717494 QWJFLEFLZNWTSH-UHFFFAOYSA-N 348.428 1.611 0 40 EDAB CN(Cc1ccsc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 29341696 TZSUJZRAVSDWFS-UHFFFAOYSA-N 338.410 1.900 0 40 EDAB C[C@@H](Sc1nncs1)C(=O)NCc1cccnc1-n1cccn1 43272296 KQQXBKNYZKMTIO-SNVBAGLBSA-N 346.441 1.916 0 40 EDAB COc1ccccc1NC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 24990006 BFTNLYMLCWGKKC-GOEBONIOSA-N 349.431 1.554 0 40 EDAB COc1ccc(CN2CCCN(C(=O)c3cnns3)CC2)cc1 47624526 DVTLAMYQJFNJEY-UHFFFAOYSA-N 332.429 1.895 0 40 EDAB COc1ccc(CC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1 47636004 DFRPSMWGBNYOBJ-SJLPKXTDSA-N 348.443 1.091 0 40 EDAB Cc1c(C(=O)OCCn2cncn2)nnn1-c1cccc2ncccc12 66932770 NXQLJYGXIIKPCG-UHFFFAOYSA-N 349.354 1.572 0 40 EDAB CS(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(F)c1 100639549 NBGFLGQHPIBCHE-JMSVASOKSA-N 340.420 1.897 0 40 EDAB Cc1nc(CN2CCC[C@H](NC[C@@H](O)c3ccc(F)cc3)C2)no1 106779794 HYYCMUAMAIQPPP-JKSUJKDBSA-N 334.395 1.805 0 40 EDAB COc1ccc(CN2CCN(c3cc(C)nc(N)n3)CC2)cc1F 43533230 QUKYYZQBDFPACF-UHFFFAOYSA-N 331.395 1.837 0 40 EDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)COCc1ccccc1F 102891050 BMYBLDKAMZLJRA-KFWWJZLASA-N 335.375 1.878 0 40 EDAB NC(=O)C1(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCOCC1 57011286 SSDQHCATMKBRNI-CVEARBPZSA-N 346.427 1.553 0 40 EDAB CNC(=O)NC(=O)CN(Cc1ccc(Br)cc1)C1CC1 26331732 XBKGZNGGXQRJOM-UHFFFAOYSA-N 340.221 1.869 0 40 EDAB O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cnccn1 57453615 RGRPVYRYHVPGEZ-NSHDSACASA-N 341.289 1.665 0 40 EDAB CN1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1=O 44349703 GUYKTVABFLIGEY-HUUCEWRRSA-N 344.411 1.990 0 40 EDAB CN1CC[C@@H](C(=O)N2CCCN(Cc3ccccc3)CC2)CC1=O 44341699 VDQLEQCWPKUFOP-QGZVFWFLSA-N 329.444 1.589 0 40 EDAB O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1CCSc2c(F)cccc21 57939881 WTOUUUAOFZHXKV-GHMZBOCLSA-N 337.376 1.467 0 40 EDAB CCCn1nc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)ccc1=O 27333409 WZJNQXXIESVKNE-HNNXBMFYSA-N 344.415 1.813 0 40 EDAB Nc1nc(Cl)cc(NC[C@H](O)CN2CCc3ccccc3C2)n1 44913871 REZFQUKILVPYIW-ZDUSSCGKSA-N 333.823 1.543 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N1CCC(CC(N)=O)CC1)=C2 44955587 CNPYNGYCNJZHDF-UHFFFAOYSA-N 344.411 1.975 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CC1 44966314 UUQUZZSPBJNPIH-UHFFFAOYSA-N 327.388 1.484 0 40 EDAB CCCn1nnnc1CN1CCN(C(=O)c2ccc(CC)cc2)CC1 44910627 QKZHPCIVDUPROI-UHFFFAOYSA-N 342.447 1.604 0 40 EDAB COc1ccccc1CCNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 62089253 HNVASBMKYQNCCV-CYBMUJFWSA-N 326.418 1.066 0 40 EDAB O=C(c1cc2ccccc2[nH]c1=O)N1CCN(c2ncccn2)CC1 12615468 SIMMRTCSEFOKES-UHFFFAOYSA-N 335.367 1.281 0 40 EDAB CCCNC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 28064317 FGMQAHMFXLXNOP-LBPRGKRZSA-N 335.429 1.374 0 40 EDAB CCOC(=O)c1oc2ccccc2c1COC(=O)Cn1cnnn1 3332869 RYIVZTCQVJFKNS-UHFFFAOYSA-N 330.300 1.339 0 40 EDAB Cc1cccc(C)c1NC(=O)C[C@@H]1SC(N2CCOCC2)=NC1=O 3374486 MYUOKFDNTLWPOW-ZDUSSCGKSA-N 347.440 1.962 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)NCc1ccnc(N2CCCC2)c1 48333420 IGNUUDNLVLOCHO-OAHLLOKOSA-N 347.463 1.202 0 40 EDAB CCOCCCNC(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O 12984386 XVEJDRMBDYPUQQ-GOSISDBHSA-N 347.415 1.387 0 40 EDAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc[n+]([O-])cc2)c(OC)c1 7777786 RLIPWYPGABPLDJ-LLVKDONJSA-N 331.324 1.765 0 40 EDAB CC[C@H]1CN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CCO1 69583536 RDOVBEHREWXWGU-RUXDESIVSA-N 332.466 1.122 0 40 EDAB CC(C)NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1 7985782 FKAXYDUBCVMFKK-UHFFFAOYSA-N 336.413 1.995 0 40 EDAB CC(=O)c1sc2nc(CSc3nncn3C)[nH]c(=O)c2c1C 13598293 PXNTXOXUBMMNNJ-UHFFFAOYSA-N 335.414 1.916 0 40 EDAB CNS(=O)(=O)c1ccc(NC(=O)c2cccc(N(C)C)c2)cc1 4284111 FSIUQPYGSPWCRT-UHFFFAOYSA-N 333.413 1.913 0 40 EDAB Cc1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(C)nn23)cc1 5144028 BBRYRYJYJLDWLA-UHFFFAOYSA-N 330.373 1.160 0 40 EDAB CCn1nc(C)c(NC(=O)CN[C@H](C)Cn2nc(C)cc2C)c1C 65397895 KCZBNHONTUMZOA-GFCCVEGCSA-N 332.452 1.950 0 40 EDAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)O 5258957 GRVGHRORELXGGM-RNCFNFMXSA-N 329.374 1.235 0 40 EDAB O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC[C@@H](n2ccnc2)C1 69656484 AZYZYVULCHGRGO-GOEBONIOSA-N 330.432 1.838 0 40 EDAB C[C@@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1ccncc1 65444258 CMVNBXRXXZFLJV-TZMCWYRMSA-N 340.449 1.256 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)N[C@@H](C)Cn2cccn2)c1 65414266 AAZHGLKMNCUTLI-SWLSCSKDSA-N 348.403 1.322 0 40 EDAB CCOc1ncnc2c1CN(Cc1nnnn1-c1ccccc1)CC2 65463365 DATHUPRENAWKPK-UHFFFAOYSA-N 337.387 1.409 0 40 EDAB Cn1nnnc1SCCC(=O)Nc1cccc(C(F)(F)F)n1 69663661 YMXYJAODRQAUIV-UHFFFAOYSA-N 332.311 1.745 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)NCC[S@](=O)C(C)(C)C)cc1 70009107 ILAJIQCYQWHXSE-LFVRLGFBSA-N 342.461 1.575 0 40 EDAB O=C1CN(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CCN1 69774443 VKYLCECQEFUVIK-UHFFFAOYSA-N 344.415 1.713 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2cc3ccccc3oc2=O)n1 14331514 WVABGTBXIWOSKM-UHFFFAOYSA-N 329.337 1.530 0 40 EDAB Cn1cc(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cn1 69775082 WUXFXMVANWYTLA-UHFFFAOYSA-N 340.309 1.191 0 40 EDAB COc1ccccc1Cc1nnc(SCCS(C)(=O)=O)o1 66257866 KEHKIHGFMPTDPI-UHFFFAOYSA-N 328.415 1.806 0 40 EDAB COC(=O)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)OC)C2)cc1 69702076 UOHBSDVGYGIRHW-OAHLLOKOSA-N 348.399 1.910 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)NCCc1cccc(F)c1 6947279 KRCNKMJHWWETJJ-UHFFFAOYSA-N 326.327 1.781 0 40 EDAB COCCn1cc(C(=O)N2CCCN(C(C)=O)CC2)c2ccccc21 71824513 SIBNOWANRKCRAI-UHFFFAOYSA-N 343.427 1.982 0 40 EDAB CNC(=O)c1cc(NC(=O)c2nccnc2C(=O)O)ccc1Cl 71287136 HDXYIRWSWGIJIN-UHFFFAOYSA-N 334.719 1.440 0 40 EDAB Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCC[C@H]1c1cnn(C)c1 71856849 WHSMKJIGDAMWOK-NSHDSACASA-N 343.416 1.947 0 40 EDAB CN(C[C@H](O)COc1ccccc1)C[C@@H]1CCCN1c1cccnn1 71860011 DKCBMDHVUWAAEX-IRXDYDNUSA-N 342.443 1.817 0 40 EDAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1CCCC1 71335090 WPJSRCQBSGJJNM-CQSZACIVSA-N 345.447 1.361 0 40 EDAB C[C@@H](N)c1ccc2c(c1)N(CC(=O)N1CCCCCC1)C(=O)CO2 19768061 SRWCZPXJDUMJLC-CYBMUJFWSA-N 331.416 1.834 0 40 EDAB CN(C[C@@H]1CN(Cc2noc(C3CC3)n2)CCO1)c1cccnn1 83859338 KWCABSOSGNOBJH-CYBMUJFWSA-N 330.392 1.074 0 40 EDAB CCCCOC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1OC 71922246 HTXTVXCMJTXTEA-GFCCVEGCSA-N 337.372 1.700 0 40 EDAB OCCOCCN1CCN(Cc2ccc(Br)s2)CC1 71907443 FXMDPYMVURVMMZ-UHFFFAOYSA-N 349.294 1.637 0 40 EDAB CCN(Cc1ccccc1)S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 89969278 FOPGYUCHLQTCBK-MRXNPFEDSA-N 325.478 1.637 0 40 EDAB C[C@@H]1CN(C)CCN1CC(=O)NCc1cc(Br)cs1 89939058 ZNJJQCNNOQBBKT-SNVBAGLBSA-N 346.294 1.763 0 40 EDAB CC(C)(C)c1ccc(-c2nnc(NC(=O)C(=O)NC3CC3)[nH]2)cc1 72285786 HZVRKOPBDXDTFB-UHFFFAOYSA-N 327.388 1.986 0 40 EDAB Cc1ccccc1NC(=O)C(=O)NCC[S@](=O)Cc1ccccc1 72287033 UZDCBSGUIFSSKE-XMMPIXPASA-N 344.436 1.999 0 40 EDAB Cc1ccc(N2CCC(C(=O)N[C@H]3CCc4nccn4C3)CC2)nc1 72278706 SYPGJJSBDYYFJH-INIZCTEOSA-N 339.443 1.934 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1 76016762 KVBVZRHFVIRFOD-UHFFFAOYSA-N 331.300 1.647 0 40 EDAB Cc1nc(C)n(CC(=O)NCc2ccc(N3CCCC3=O)cc2)n1 84280383 PEZRPSRUANJKKH-UHFFFAOYSA-N 327.388 1.338 0 40 EDAB O=C(NCCCO)c1cnn(-c2ccccc2F)c1-n1cccc1 97175963 NJLWXIGOESXGJC-UHFFFAOYSA-N 328.347 1.914 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N1CCO[C@H](CCc2ccccc2)C1 97109977 MDOSAUHWJHBRRT-NVXWUHKLSA-N 343.431 1.710 0 40 EDAB Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1cc(N(C)C)ccn1 97103923 YUOBEWCTGMEVRO-QGZVFWFLSA-N 338.411 1.769 0 40 EDAB Cn1cc([C@@H]2OCC[C@H]2CN[C@@H]2CCN(CC(F)(F)F)C2=O)cn1 84317446 ZPXDFUHRIOUBOW-CYZMBNFOSA-N 346.353 1.251 0 40 EDAB C[C@@H]1CN(C(=O)CCN2C(=O)CCc3ccccc32)C[C@H]1N(C)C 76050749 PXLKVFROMBMIFW-RHSMWYFYSA-N 329.444 1.764 0 40 EDAB O=C(NCc1cc(=O)[nH]c2ccccc12)N1CCOC2(CCC2)C1 95452022 JJXWGVYPTHKTMY-UHFFFAOYSA-N 327.384 1.993 0 40 EDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(Cc2cc(C)nn2C)C3)n1 306124489 BRLKVKVDOLQYRB-INIZCTEOSA-N 343.431 1.639 0 40 EDAB CCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408600313 ACXTYIVTMTWYGM-UHFFFAOYSA-N 326.418 1.156 0 40 EDAB CC[C@H](C)NC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1 35312028 XHMGHRVRJFUZNW-ZDUSSCGKSA-N 328.420 1.793 0 40 EDAB O=C(O)c1ccc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)cn1 521287680 PSSHAGLZBWEUTK-GFCCVEGCSA-N 331.353 1.155 0 40 EDAB C[C@@H](NC1(CNC(=O)Cn2cccn2)CCOCC1)c1ccccc1 79096154 MOGYFCFVIJTUHJ-MRXNPFEDSA-N 342.443 1.899 0 40 EDAB CCOc1ccc(NS(C)(=O)=O)cc1S(=O)(=O)N1CCCC1 33048519 FIUMXBDOYAXLOO-UHFFFAOYSA-N 348.446 1.241 0 40 EDAB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)cc(-n2ccnc2)n1 35598154 SKVRJPQHDAGKFM-UHFFFAOYSA-N 338.371 1.526 0 40 EDAB Cc1cc(S(=O)(=O)NCC[C@H](O)C2CCOCC2)ccc1F 217923498 PSWYWTAXXGOAHN-HNNXBMFYSA-N 331.409 1.590 0 40 EDAB Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(c3ncc(Cl)cn3)C2)c1O 1062911948 LJINZMARXPNURR-JTQLQIEISA-N 336.783 1.218 0 40 EDAB CC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 30754929 FOVVUWPCZAOHLS-CYBMUJFWSA-N 340.445 1.377 0 40 EDAB CCc1cc(CNC(=O)NCC(=O)N2CCc3sccc3C2)[nH]n1 76954706 WVUQULIZCUUMKL-UHFFFAOYSA-N 347.444 1.418 0 40 EDAB CN(C)CCn1ccc(C(=O)Nc2n[nH]c3c(Cl)cccc23)n1 565666390 KEGIWUMJLGTLFJ-UHFFFAOYSA-N 332.795 2.227 0 40 EDAB O=C(Cc1noc(C(=O)NC2CC2)n1)Nc1cccc2ncccc12 40266389 NGIOHBRGUTZYNP-UHFFFAOYSA-N 337.339 1.691 0 40 EDAB CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 42012621 XNMHIJPZHVXFIV-NSHDSACASA-N 330.837 1.829 0 40 EDAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCC[C@H]1C(N)=O 225434116 QDUQFTWXBVAWQS-CABZTGNLSA-N 347.346 1.624 0 40 EDAB biogenic,in-vitro Cc1nccn1CCNC(=O)c1ccnc(O[C@H]2CCSC2)c1 225717736 IMLSGFOXHGLZGP-AWEZNQCLSA-N 332.429 1.901 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 521395329 FQHOJSVCFNOFLQ-RTXFEEFZSA-N 328.420 1.881 0 40 EDAB NC(=O)[C@@H]1CCCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 47509171 KKHVDFVBTSHQMO-SECBINFHSA-N 336.335 1.682 0 40 EDAB O=C1CSc2ccc(C(=O)NCCNc3cnccn3)cc2N1 48230519 XKMOUTFUIVUIPL-UHFFFAOYSA-N 329.385 1.363 0 40 EDAB Cc1cccc(-c2noc(CCC(=O)NCCN3CCOCC3)n2)c1 41184398 UIWBUALGGDBTRA-UHFFFAOYSA-N 344.415 1.426 0 40 EDAB CC(C)(C)n1cc(C(=O)OCc2ncn(-c3ccccc3)n2)nn1 225391442 CROKLWFGVLZGGH-UHFFFAOYSA-N 326.360 1.971 0 40 EDAB O=C1CC[C@H](N2CCN(c3ncnc4ccsc34)CC2)CCN1 572108615 KOXPAICIXBRKJA-LBPRGKRZSA-N 331.445 1.482 0 40 EDAB CCCc1nnsc1C(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 75163148 DOLRIBVUCMSAEZ-UHFFFAOYSA-N 345.388 1.022 0 40 EDAB Cc1csc(=O)n1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 40464615 FFMARQHASGASSE-INIZCTEOSA-N 345.468 1.999 0 40 EDAB COc1ccc(-c2noc(C(=O)N3CCOCC3)c2[C@H](C)O)cc1 225429990 NFPYGXIHXJAVGL-NSHDSACASA-N 332.356 1.876 0 40 EDAB biogenic,in-vitro O=C1C[C@]2(CCc3ccccc32)C(=O)N1Cc1cn2cccnc2n1 193708951 KXPXSFGMQJGPSM-IBGZPJMESA-N 332.363 1.872 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 83613223 JQWJCPGCFGVNIH-QWHCGFSZSA-N 330.837 1.642 0 40 EDAB CCn1nc(C)cc1C(=O)N1CC[C@@H]2O[C@@H](c3nnc(C)o3)C[C@H]2C1 96070562 IJZQYKZDEXFMKK-AEGPPILISA-N 345.403 1.895 0 40 EDAB Cc1ccc(CN2CCN(C(=O)C(C)C)C[C@@]3(CC(=O)N(C)C3)C2)o1 96036055 KXWQLTLROXXKHE-LJQANCHMSA-N 347.459 1.737 0 40 EDAB C[C@@H]1CCCN(c2ccccc2OC[C@H](O)CN2CCOCC2)C1 95439073 FCUSUYNDTORAFN-IAGOWNOFSA-N 334.460 1.995 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CCN(Cc1cccnc1)C2=O 96157847 MSWWCKKXXNSWEN-UHFFFAOYSA-N 339.443 1.830 0 40 EDAB Cc1ccc(CNC(=O)c2ccccc2OCc2nnnn2C)o1 96101395 ZFYBWPBNWKPAPT-UHFFFAOYSA-N 327.344 1.621 0 40 EDAB 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0 40 EDAB C[C@@H](NC(=O)c1cccnc1N1CCCC1)C(=O)NCc1ccco1 68018464 CUZBEPUQJRRTDS-CYBMUJFWSA-N 342.399 1.710 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1F)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 103198274 WKRNANRNTLQAMO-FPMFFAJLSA-N 330.359 1.782 0 40 EDAB O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](C(=O)N2CCOCC2)C1 42010758 RNBHDBGQYTXZER-CQSZACIVSA-N 348.468 1.948 0 40 EDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cccc(OCCOC)c1 69820274 GALRDWBCMUWHJB-ZDUSSCGKSA-N 343.445 1.607 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(Cc2nc(-c3ccoc3)no2)CC1 69893716 LMEMCXIJHIKTPS-CYBMUJFWSA-N 347.419 1.360 0 40 EDAB O=C(Nc1nncs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 43130518 NNDIIOWXHBGRPU-UHFFFAOYSA-N 347.400 1.617 0 40 EDAB C[C@H](C(=O)NCCc1cccs1)N1CCO[C@@H](CN(C)C)C1 106869416 CZYJHHVZCMQWAZ-KGLIPLIRSA-N 325.478 1.058 0 40 EDAB C[C@@H](NC(=O)CS(=O)(=O)c1nccn1C)[C@@H]1C[C@H]2CC[C@H]1C2 107313719 ODVYHNZKXKHJMC-VOAKCMCISA-N 325.434 1.135 0 40 EDAB CCN1CCN(C(=O)CCn2nc(C)c(Br)c2C)CC1 22248068 XMZOIWYJVPWNEZ-UHFFFAOYSA-N 343.269 1.817 0 40 EDAB CCO[C@H](CC)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 57200265 SSGDXHPVRZVAAY-CQSZACIVSA-N 328.434 1.205 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)c2cc(C3CC3)on2)c1 27306685 FDJCTZUIQYONEC-UHFFFAOYSA-N 335.385 1.390 0 40 EDAB O=C(Cn1ccccc1=O)NC[C@@H](c1cccs1)N1CCCC1 44719561 XOCUKVCAENHSSF-AWEZNQCLSA-N 331.441 1.863 0 40 EDAB CC(=O)N1CCC(NC(=O)CCc2nc(-c3ccsc3)no2)CC1 44873382 TYACPYHMATWYQV-UHFFFAOYSA-N 348.428 1.858 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)Nc3cc(C)on3)cn2)CC1 44969145 KBEQEPSKPKYZLK-UHFFFAOYSA-N 344.419 1.842 0 40 EDAB CCN(C(C)=O)c1nc(CN2CCN(C(=O)N(C)C)CC2)cs1 44933964 DDBAPVQIDPTTFB-UHFFFAOYSA-N 339.465 1.315 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2ccc(Cl)nc2)CC1 58379435 YJRAADXFVIEWJN-UHFFFAOYSA-N 332.791 1.381 0 40 EDAB COCCCNC(=O)CN(C)C(=O)[C@H](C)Oc1cccc(Cl)c1 58343509 PCUIFLGCQGEKQZ-LBPRGKRZSA-N 342.823 1.718 0 40 EDAB O=C(O)C[C@H](NCc1ccco1)C(=O)OCCOc1ccccc1 2235235 VLHUCAZZVDXEFC-HNNXBMFYSA-N 333.340 1.835 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2cncn2)cc1C 68113474 OYZHCBKTHPFNPO-AWEZNQCLSA-N 345.428 1.435 0 40 EDAB CN(Cc1ccc(OC(F)(F)F)cc1)CN1C(=O)C(=O)N(C)C1=O 26619524 YCZSGLNRGDZVKJ-UHFFFAOYSA-N 345.277 1.395 0 40 EDAB Cc1ccc([C@@H](CNC(=O)NCC(F)(F)F)N2CCOCC2)o1 48285382 ONFWJCPMVKZYOZ-LLVKDONJSA-N 335.326 1.823 0 40 EDAB COc1cc(OC)cc(C(=O)NCCc2nnc3ccccn23)c1 12989782 LWAMYPQOUMCNRQ-UHFFFAOYSA-N 326.356 1.719 0 40 EDAB CC(C)C[C@H]1NC(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1=O 3597123 YAVBKFMDNIQBDH-SMDDNHRTSA-N 335.379 1.969 0 40 EDAB Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 3887468 SWWOIEPBBNXTQP-UHFFFAOYSA-N 325.434 1.280 0 40 EDAB C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 4084230 ZYKIRSKDFLPXJW-OLXJLDBKSA-N 334.397 1.624 0 40 EDAB biogenic CC[C@@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 4062082 DGTCRFIPTQTOCR-GFCCVEGCSA-N 333.340 1.637 0 40 EDAB biogenic Cn1nccc1CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 91066113 NALDJSCVJRYERT-QGZVFWFLSA-N 342.399 1.047 0 40 EDAB Cn1c(CCC(=O)O)nc2cc(S(=O)(=O)N3CCCC3)ccc21 6088447 WQPGCRYQKUQUTB-UHFFFAOYSA-N 337.401 1.375 0 40 EDAB CN(C)C(=O)c1cccc(C[S@](=O)CC(=O)NC2CCCC2)c1 64839451 QVJOKPCSEUYMIV-HSZRJFAPSA-N 336.457 1.696 0 40 EDAB CCN1CC[C@@H](CNC(=O)NCc2ccnc(-n3ccnc3C)c2)C1 65449277 JRZOMTYCJUMEPE-INIZCTEOSA-N 342.447 1.717 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@]2(C1)C(=O)Nc1ccccc12 91302878 QLRMTNDTOAFSSX-PIGZYNQJSA-N 332.356 1.828 0 40 EDAB in-vitro COC(=O)CC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OC 14162555 SBCJQAIIJIUSDE-INIZCTEOSA-N 343.379 1.993 0 40 EDAB CCc1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 14241189 PMNFPZMURVGTQY-KDOFPFPSSA-N 332.400 1.709 0 40 EDAB O=C(NCCc1coc(-c2ccccc2)n1)NCCN1CCOCC1 69596237 UWJDWUCZCVPXCE-UHFFFAOYSA-N 344.415 1.516 0 40 EDAB Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCCC[C@H]2C)cc1F 69591848 RGDWRELXOIUKKR-CYBMUJFWSA-N 349.406 1.980 0 40 EDAB COCCNC(=O)c1ccc(N[C@H]2c3ccccc3C[C@@H]2O)nc1 91430520 FZUSKNVWJHFYHH-RDJZCZTQSA-N 327.384 1.528 0 40 EDAB CN(C(=O)CSc1nc(N)nc(N)n1)[C@@H]1CCCc2ccccc21 6879901 KPMHPXHPMTYPMT-GFCCVEGCSA-N 344.444 1.664 0 40 EDAB CCCN1CCC2(CC1)CN(C)Cc1nnc(-c3cccnc3)n12 306144111 YWHOMKDZUPFRJQ-UHFFFAOYSA-N 326.448 1.987 0 40 EDAB COC(=O)c1ccc2nnn(OCCOc3ccccc3F)c2c1 8719589 FGILRJXPRRLLLR-UHFFFAOYSA-N 331.303 1.865 0 40 EDAB CCc1nn(C)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O 92349176 QHGZUWIMCKWGMC-INIZCTEOSA-N 326.400 1.513 0 40 EDAB COCCN(CC(N)=O)C(=O)c1cccc(Br)c1C 89537099 YFKIJGZAEGVXHT-UHFFFAOYSA-N 329.194 1.331 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2cnsn2)C(N)=O)cc1 71826920 IKXDKNXYSKGGPL-LLVKDONJSA-N 334.401 1.011 0 40 EDAB CCCCn1nnnc1CSc1nnc(-c2cccnc2)n1C 19296880 XADFWMSVGBIIKG-UHFFFAOYSA-N 330.421 1.956 0 40 EDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)c1cc(C)n(C)c1C 96514054 CVMAJNNOCJAJKV-VIZOYTHASA-N 336.413 1.805 0 40 EDAB COc1cc(CNC(=O)c2cc(C)no2)ccc1OCCN(C)C 75126520 MNRONHQOSUNWDM-UHFFFAOYSA-N 333.388 1.862 0 40 EDAB Cc1cc(CN(C)C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)no1 89601055 SDMLXGFDZGSAPL-KRWDZBQOSA-N 329.400 1.842 0 40 EDAB COCCN(CC(F)F)c1cc(C(F)(F)F)nc2ncnn12 71908230 SRFIBDCAOQFATJ-UHFFFAOYSA-N 325.241 1.861 0 40 EDAB CCc1noc(CN(C)S(=O)(=O)c2c(C)nn(C(C)C)c2C)n1 71909111 LZCQQSKYLQGAEQ-UHFFFAOYSA-N 341.437 1.847 0 40 EDAB CCCCN(C(=O)NCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 89954696 KYXBIYRBQKRIJY-CQSZACIVSA-N 325.434 1.580 0 40 EDAB Cc1cc([C@@H]2CCCN(CC(=O)NCc3c(C)noc3C)C2)n[nH]1 84111007 QIGFXYVFBOGQLG-CQSZACIVSA-N 331.420 1.819 0 40 EDAB O=C(NC[C@@H]1CCCO1)NC1CCN(C(=O)c2ccccc2O)CC1 72289594 WPTBNGXAJQGSPV-AWEZNQCLSA-N 347.415 1.475 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)n1 72269236 VBFBUYHRWWIYKR-ZIAGYGMSSA-N 336.436 1.183 0 40 EDAB C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCC(CCO)CC1 72270378 GNXAVDKGRFOWKP-CQSZACIVSA-N 333.432 1.495 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCCNc3ncccn3)C2)n1 75602722 VCOSIWBWXOWWFW-OAHLLOKOSA-N 343.435 1.741 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)[C@@H]1Cc3cc(Cl)ccc3O1)CC2 97198234 MBFLICQOGLUVLL-JSGCOSHPSA-N 346.818 1.929 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCc4nccn4C3)CC2=O)cc1 97197840 IKRFDBXPYNCMJL-HUUCEWRRSA-N 338.411 1.676 0 40 EDAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccnn2C)cc1OC 84303661 ZUNLJPCTEIOLFZ-LLVKDONJSA-N 333.344 1.383 0 40 EDAB CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1ccccc1 97205519 XPTUEBSCFWZDQW-DLBZAZTESA-N 343.427 1.524 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)c1ccc(-n2nnnc2C)cc1 72402415 DGCQJFWYVPIASX-UHFFFAOYSA-N 325.376 1.251 0 40 EDAB COc1ccc2nnc(CCC(=O)N(C)Cc3ccccc3)n2n1 72404989 GEIPZJZLCYFQAN-UHFFFAOYSA-N 325.372 1.724 0 40 EDAB CC(C)Nc1ccc(C(=O)N2CCN(c3cnn(C)c3)CC2)cn1 84407240 WLYFIHJZGBDLRK-UHFFFAOYSA-N 328.420 1.598 0 40 EDAB Cc1cccc(C(=O)N[C@@H](C(=O)N2CCO[C@@H](C(=O)O)C2)C(C)C)c1 95425354 CGFLDRKZXQDOPA-HUUCEWRRSA-N 348.399 1.061 0 40 EDAB Cc1nccn1CCCCNS(=O)(=O)c1cc(Cl)cnc1N 95433808 UIONQPFORNOMSN-UHFFFAOYSA-N 343.840 1.581 0 40 EDAB C[C@H]1CC[C@H](CCC(=O)NCCn2ncc3ccccc3c2=O)O1 95404306 ZBMYQKWKGZNHKG-DZGCQCFKSA-N 329.400 1.860 0 40 EDAB O=C1N[C@@]2(CCOC2)C(=O)N1Cc1ccc(Br)s1 95439417 QQCKMNJHKXLYGS-LLVKDONJSA-N 331.191 1.722 0 40 EDAB CC[C@H]1CN(Cc2cc(=O)n3cc(C)ccc3n2)CCN1C[C@@H](C)O 84736479 GIQHMLNSLHAKLW-WBVHZDCISA-N 344.459 1.280 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)ccc1=O 84759107 CWNJMLYHYQTFBF-ZDUSSCGKSA-N 329.404 1.705 0 40 EDAB CCC(=O)N1CCCN(C(=O)c2cccc(-c3n[nH]c(C)n3)c2)CC1 78986118 DOBDSCYFGQFPFT-UHFFFAOYSA-N 341.415 1.865 0 40 EDAB COc1ccc([C@H](C)NCc2ncnn2C)cc1Cn1cccn1 95968762 CQVXMWNOVUAKCZ-ZDUSSCGKSA-N 326.404 1.919 0 40 EDAB O=C(CNc1ccccc1N1CCC(O)CC1)NCc1ccco1 79183080 MVYCFZPDCHZHBP-UHFFFAOYSA-N 329.400 1.969 0 40 EDAB Cc1ccc(-n2nc(CC(C)C)nc2C[C@@H]2NC(=O)NC2=O)c(C)c1 65431222 ARDRXZLHQGGWBI-ZDUSSCGKSA-N 341.415 1.833 0 40 EDAB Nc1ncncc1-c1noc([C@@H]2CCCN2Cc2ccc(CO)o2)n1 35426004 OAXISZCLRMAVDR-ZDUSSCGKSA-N 342.359 1.531 0 40 EDAB biogenic,in-vitro O=C(NCCc1cn[nH]c1)N1Cc2cccnc2N2CCC[C@@H]2C1 1552807517 HPGYDNWUPPPONP-OAHLLOKOSA-N 326.404 1.541 0 40 EDAB C[C@@]1(c2[nH]ncc2S(C)(=O)=O)CCCN(C(=O)c2ccccn2)C1 72388766 SHAVOTDZAGNBTN-MRXNPFEDSA-N 348.428 1.402 0 40 EDAB Cn1cccc1C(=O)COC(=O)Cc1csc(NC(=O)C2CC2)n1 32936217 DNEKQOIKJQBFJM-UHFFFAOYSA-N 347.396 1.799 0 40 EDAB COC[C@@]1(C(=O)O)CCN(C(=O)c2ccc3nc(C)c(C)nc3c2)C1 565523999 DYKSOVFMAVMSGU-GOSISDBHSA-N 343.383 1.810 0 40 EDAB COC(=O)c1oc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1C 31609252 FWXADVSLLLYUOA-UHFFFAOYSA-N 334.328 1.608 0 40 EDAB COC(=O)c1ccc(C(=O)NC2CCN(C(=O)OC(C)C)CC2)nc1 79034911 KWGJHTDGGFOTQU-UHFFFAOYSA-N 349.387 1.607 0 40 EDAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1 214294555 BAICICBQWPXZLL-XYOKQWHBSA-N 336.369 1.483 0 40 EDAB Cc1c(S(=O)(=O)NC[C@H]2CNCCCO2)c2ccccc2n1C 564718937 XSOKVZDLWGTFCN-CYBMUJFWSA-N 337.445 1.144 0 40 EDAB O=C(O)[C@@H](NS(=O)(=O)c1cnc2ccsc2c1)[C@@H]1CCOC1 572908582 HLFNHGSSCXTXDO-PELKAZGASA-N 342.398 1.064 0 40 EDAB CN([C@@H](C(=O)NCCc1ccccc1)c1ccccc1)S(C)(=O)=O 224787020 TZGOLOQWCNPWEE-QGZVFWFLSA-N 346.452 1.978 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccccc2F)C1 222616576 CBSPUHZRYFCHLZ-CQSZACIVSA-N 342.436 1.846 0 40 EDAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 226860057 GIAQBMGWHARBGO-UHFFFAOYSA-N 330.365 1.988 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 41428564 ZREIQZQJESXZKK-UHFFFAOYSA-N 348.399 1.689 0 40 EDAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCC1 225495938 ZRNFDEFISMPAEY-GFCCVEGCSA-N 326.418 1.472 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CC[C@@H](Oc2cnccn2)C1 225795618 ILWKSSIJLGAGTR-GFCCVEGCSA-N 327.340 1.541 0 40 EDAB CN(C)c1noc(CNC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)n1 570736507 FBHYBXKZCMKMLO-CYBMUJFWSA-N 337.811 1.708 0 40 EDAB Cc1cc(NC(=O)c2c[nH]c(=O)n(Cc3ccccc3F)c2=O)no1 75172521 XUEXWRIBAGVEQA-UHFFFAOYSA-N 344.302 1.273 0 40 EDAB CCOC(=O)c1ncn2/c(=N\C(=O)c3ccccc3)snnc12 575443046 NVTOHIPESDWHGU-JQIJEIRASA-N 329.341 1.104 0 40 EDAB Cn1cc(C(=O)N2CCO[C@@H]3CN(Cc4ccsc4)C[C@@H]3C2)cn1 96108084 CGDNXDUFQOTVRI-HZPDHXFCSA-N 346.456 1.455 0 40 EDAB O=C([C@H]1CCCO1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 96186172 CTTFKJWRFWLVCE-XLAORIBOSA-N 346.427 1.926 0 40 EDAB C[C@H](O)C[C@@H]1CCCCN1C(=O)CCCN1C(=O)C(C)(C)N=C1O 331011621 XYOOFTYLPMVVHY-STQMWFEESA-N 339.436 1.453 0 40 EDAB CN(C)CCN1C[C@@H]2CN(Cc3ccccn3)CCC[C@]2(C(=O)O)C1 96064217 HBUGPYNUZBAVSQ-LPHOPBHVSA-N 346.475 1.242 0 40 EDAB Cn1ccnc1CN1C[C@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96063288 CMMUZCQIGORHIR-OAHLLOKOSA-N 332.448 1.271 0 40 EDAB Cc1nc(CN2CC[C@]23CCN(C(=O)c2nccn2C)C3)cs1 96076054 YAQLLJSLEIOZEI-INIZCTEOSA-N 331.445 1.676 0 40 EDAB CC(C)[C@@H]1NC(=O)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 91689950 JGHZAQPHKHNYKI-AWEZNQCLSA-N 339.436 1.369 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 96043046 WOFZMICLLBWEJQ-SOUVJXGZSA-N 328.372 1.688 0 40 EDAB Cc1ccc(N2CC[C@@H](NS(C)(=O)=O)[C@@H]2Cc2ccccc2)nn1 96087478 HPXKPNAIZRRAMQ-CVEARBPZSA-N 346.456 1.524 0 40 EDAB O=S(=O)([C@@H]1CCN(CCc2ccccc2F)C1)N1CCCC1 97095668 KNQORMVPVXUVMY-OAHLLOKOSA-N 326.437 1.868 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cc(C(=O)O)n[nH]2)C1 1594310237 IJAKGEKGFREEMG-LBPRGKRZSA-N 346.362 1.954 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(CC3CCOCC3)C[C@@H]12)NCC1CC1 96057181 OQRHEVCAJAJEFK-KURKYZTESA-N 336.476 1.524 0 40 EDAB CCn1cc(N2C[C@H](C(=O)NCc3ccc(OC)cc3)CC2=O)cn1 96101467 VFFKILBHSPTOLT-CQSZACIVSA-N 342.399 1.581 0 40 EDAB Cn1cc(CN2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3ccco3)C2)cn1 96038896 NDNBFACLFLWZCB-GVDBMIGSSA-N 344.415 1.166 0 40 EDAB Cc1ccc(N2CC[C@@H](N3CCC[C@H](N4CCNC4=O)C3)C2=O)cc1 96424160 JYFICQJRGYZWGS-DLBZAZTESA-N 342.443 1.590 0 40 EDAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 96090645 XETPJFNCRYBGDU-IRXDYDNUSA-N 343.452 1.834 0 40 EDAB CC(C)C(=O)NCc1cc(=O)n2c(n1)CN(Cc1ccoc1)CCC2 96197637 FCAMJVJAJNXWDD-UHFFFAOYSA-N 344.415 1.514 0 40 EDAB Cc1ccc(CCNCC2(S(=O)(=O)NC(C)(C)C)CC2)cn1 583651517 OGEXXBJDWGRBEJ-UHFFFAOYSA-N 325.478 1.773 0 40 EDAB CCOc1cccc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1 583618185 LIFGWLIMHHLBMG-GOSISDBHSA-N 344.415 1.991 0 40 EDAB CNS(=O)(=O)CCCN1CCC[C@@H]1c1nc2c(n1C)CCCC2 583618459 YCZVRJTXPOTETG-OAHLLOKOSA-N 340.493 1.375 0 40 EDAB Cn1cc(CN2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cn1 96055164 YCTGHCBUQBLECH-RTBURBONSA-N 341.459 1.538 0 40 EDAB COCCN(C)C[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 248021410 FODUAQGJUJNMCB-APWZRJJASA-N 347.459 1.671 0 40 EDAB Cc1cccnc1N(C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 253420458 JQIAYHUBPQIPLM-SJORKVTESA-N 339.395 1.951 0 40 EDAB Cc1nccc([C@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 257306541 SURBRXOXNLQIFX-MRXNPFEDSA-N 330.388 1.923 0 40 EDAB Cc1noc(C)c1CC(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257217185 CXWQOBWBIWRVOX-ZIAGYGMSSA-N 343.374 1.137 0 40 EDAB CCCCOc1ncccc1CNC(=O)[C@@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3 585090095 AGMMBXFITFIAKM-FIIQBIKZSA-N 343.427 1.791 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2nccc(N)n2)cc1C 585137599 IPRYGXJDBKJYOY-NSHDSACASA-N 336.417 1.805 0 40 EDAB CC(C)(C)OC(=O)NC[C@H](NCCN1CCCC1=O)C(F)(F)F 585116411 UPLBQROWLVDJHS-JTQLQIEISA-N 339.358 1.654 0 40 EDAB O=C(c1ccnnc1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257273446 NGPVDKWAXGTADJ-AWEZNQCLSA-N 337.383 1.456 0 40 EDAB CC(C)(CNCc1c[nH]c(=N)[nH]c1=N)N1CCc2ccccc2C1 585118301 JVXAITVWGRGZQS-UHFFFAOYSA-N 326.448 1.228 0 40 EDAB COc1cc(CCC(=O)NCc2ccnc([C@@H]3CCCOC3)n2)on1 257222944 DVFYFICKNLABJT-GFCCVEGCSA-N 346.387 1.616 0 40 EDAB NCCOc1cccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 257331552 XTIOTEPGBSHVMQ-QZTJIDSGSA-N 342.395 1.288 0 40 EDAB COCC(=O)N1CCC[C@@H](Cc2nccnc2-c2cnc(C)n2C)C1 257243208 IFWSROFJTYBFLD-AWEZNQCLSA-N 343.431 1.613 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2nccs2)C1 257208828 BNTBKGJGHMOUNH-NSHDSACASA-N 326.447 1.753 0 40 EDAB COc1ncc(CN2CCC3(CC2)CN(C(C)=O)[C@@](C)(CO)C3)cn1 257260090 LBGYBDIFEJXVAH-QGZVFWFLSA-N 348.447 1.071 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3sccc3C)C2)ncn1 257243415 IGWNPJDEDLDTHE-QGZVFWFLSA-N 346.456 1.916 0 40 EDAB COCC(=O)N1CCC[C@@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1 257247861 JAXDTECWKCCKAI-GFCCVEGCSA-N 348.403 1.564 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](C)Oc2cccc3oc(C)nc23)CC1 275850067 GTJKHRLQQWEOHD-NSHDSACASA-N 331.372 1.594 0 40 EDAB CCc1ccccc1S(=O)(=O)NCCc1cccc(C(=O)O)n1 282036921 YPBBBEBZMJAGFH-UHFFFAOYSA-N 334.397 1.863 0 40 EDAB Cn1nncc1S(=O)(=O)NC1(c2c(F)cccc2F)CCC1 606444967 YRQMYRPUNRQNME-UHFFFAOYSA-N 328.344 1.451 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(OC)ccc1OC 298133559 IZYRAGMRXBDXCD-GFCCVEGCSA-N 335.404 1.243 0 40 EDAB CCC1(CC)CN(CC(=O)N2CCC3(CC2)OCCO3)CCS1 390834461 ZFXOUTWBQFBICI-UHFFFAOYSA-N 342.505 1.960 0 40 EDAB O=C(c1cc[nH]n1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 575402900 DWIVONNFEQKUCA-CYBMUJFWSA-N 337.445 1.553 0 40 EDAB CC(C)CCN1C[C@H]2C(=O)NC3(CCN(c4cnccn4)CC3)[C@H]2C1 585106252 ZGUUCARWLQGJSK-CVEARBPZSA-N 343.475 1.540 0 40 EDAB CN1C[C@H](COc2cccnc2)CC12CN(c1ncc(F)cn1)C2 585093746 BUWNTZARUCKZNP-CYBMUJFWSA-N 329.379 1.600 0 40 EDAB Cc1cc(CC(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)on1 585288280 SWXBCKFPBHPGEA-KVSKMBFKSA-N 342.395 1.672 0 40 EDAB CCN(C[C@H]1CCCO1)C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 58392301 UGQONSAHXUCYKA-DZGCQCFKSA-N 344.415 1.352 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1ccc(C(=O)N(C)C)cc1 65494336 BTYBBHSSTNQBIO-UHFFFAOYSA-N 329.448 1.786 0 40 EDAB CC(C)C(=O)OCC1(COC(=O)C(C)C)C(=O)C2CCN1CC2 95917899 ACENSNPMZBUAPW-UHFFFAOYSA-N 325.405 1.418 0 40 EDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cnns2)cs1 548021566 IWAQLGFDYNZSLY-ONGXEEELSA-N 341.437 1.645 0 40 EDAB Cn1cc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)nn1 1615572200 SUEPMRQBQABMKA-UHFFFAOYSA-N 335.389 1.133 0 40 EDAB COC(=O)C1=CN(Cc2ccc(Cl)cc2)S(=O)(=O)N=C1C 1775971124 GOXSKGPMYHXHSQ-UHFFFAOYSA-N 328.777 1.918 0 40 EDAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2nccnc2N)c1 5040410 GHKWPIXXYMAIJE-SNVBAGLBSA-N 328.328 1.445 0 40 EDAB CC(C)[C@H](Cn1nnc2ccccc21)NC(=O)c1cc2ncccn2n1 12145008 FCAFTAMZRBLSGJ-HNNXBMFYSA-N 349.398 1.929 0 40 EDAB Cc1ccc(C(=O)N2CCc3nc(-c4cnccn4)nc(O)c3C2)cn1 13227214 VDCVSSZZBPKIBP-UHFFFAOYSA-N 348.366 1.541 0 40 EDAB Cc1ccc2nc(COCC(=O)N(C)Cc3nonc3C)[nH]c2c1 19219682 DLCUJWBPIYWHPT-UHFFFAOYSA-N 329.360 1.738 0 40 EDAB Cc1cccnc1-n1cccc1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C 19237898 QGEACUCABJCNCI-RYQLBKOJSA-N 326.444 1.820 0 40 EDAB O=C1NCC2(CCC(NC(=O)[C@@H]3CCCO3)CC2)Oc2ccccc21 19374840 BJJXARYRMHMLEY-LWGFOQHQSA-N 344.411 1.785 0 40 EDAB COc1ccc(Br)c(C(=O)N[C@@H]2C[C@H](O)[C@H](CO)C2)c1 107286302 RTXLOMVHAQYKLY-RVBZMBCESA-N 344.205 1.319 0 40 EDAB C[C@@](O)(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)C1CC1 225619208 UKDAHQVRBZJMNQ-MRXNPFEDSA-N 325.430 1.300 0 40 EDAB CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1c[nH]c2ccccc12 643586317 ZCDKSPBNMCCMRI-PJTMPQEBSA-N 330.384 1.008 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(C)c2ccccc2)ccc1OC 15349057 LSMNXCNMYLSRKM-UHFFFAOYSA-N 334.397 1.880 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)C1CN(c2cc(-n3cccn3)ncn2)C1 253472312 LIBMSHTXWKWZLV-UKRRQHHQSA-N 340.431 1.793 0 40 EDAB Cc1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n1-c1ccccc1 5262232 YJTVZYDZQKZNHH-GFCCVEGCSA-N 333.417 1.887 0 40 EDAB Cc1ccc(N2CC(N(C)C(=O)c3cn(C)nc3C(F)F)C2)nn1 1888844384 QKICBBYIWOMYEB-UHFFFAOYSA-N 336.346 1.417 0 40 EDAB COCCc1nsc(N2CCC[C@H](N(C)c3ncc(C)cn3)C2)n1 1888863837 DECYXIMSABMWOQ-ZDUSSCGKSA-N 348.476 1.931 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc(Nc2ncccn2)c1 33213539 AGDHEODSCYPRFN-HNNXBMFYSA-N 339.399 1.961 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(C)C3)n2)cn1 238880299 PBVAROWSXALHSQ-ZDUSSCGKSA-N 345.403 1.488 0 40 EDAB COc1ccc2nnc(CNC(=O)CSCc3ccccc3)n2n1 240122570 WDDLVHCQSBBEDN-UHFFFAOYSA-N 343.412 1.683 0 40 EDAB O=C(O)CCCCCOC(=O)CCCNC(=O)CCCCCO 2060999792 LNNXHOZBRNTHDD-UHFFFAOYSA-N 331.409 1.624 0 40 EDAB COCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O 2976009 RWCLZXWMZVFDKG-UHFFFAOYSA-N 335.429 1.932 0 40 EDAB CC(=O)CSc1nnc(CNC(=O)c2c(F)cccc2F)o1 5107637 WRUVSGQJNPKURB-UHFFFAOYSA-N 327.312 1.959 0 40 EDAB Cc1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)cc1Cl 5251465 DGEIIZNDLAHNHN-UHFFFAOYSA-N 337.807 1.716 0 40 EDAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(C)=O)C3)C2)cc1 2055835020 QPBNNDPSVWKQGS-QGZVFWFLSA-N 331.372 1.791 0 40 EDAB O=C1Nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)[C@@H](c2ccccc2)N1 38671255 QISXAENFCJQBAA-OAHLLOKOSA-N 348.362 1.809 0 40 EDAB CN(C)c1cc(-n2cnc(C(=O)NCc3ccc(F)cc3)c2)ncn1 49411352 RUOLFUIPONEQAS-UHFFFAOYSA-N 340.362 1.797 0 40 EDAB O=C(c1cc(-c2cccnc2)on1)N1CCN(c2cccnc2)C(=O)C1 585150513 YVDUNVCADUBCLO-UHFFFAOYSA-N 349.350 1.621 0 40 EDAB CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 42829 RVVMICHUSLXPJC-UHFFFAOYSA-N 330.413 1.892 0 40 EDAB Cc1nn(C)c(Cl)c1CNCc1ccc(N2CCN(C)CC2)nc1 30660507 HCEATOLLARLKCG-UHFFFAOYSA-N 348.882 1.819 0 40 EDAB O=c1n(Cc2nc(-c3ccsc3)no2)nnn1-c1cccs1 10816599 DRGLKDZHXWKUEZ-UHFFFAOYSA-N 332.370 1.650 0 40 EDAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NC(C)C 479884 HJGYENUNZPMNNR-UHFFFAOYSA-N 342.461 1.833 0 40 EDAB CCN(CC)CCOc1ccccc1NC(=O)N[C@H]1CCCNC1=O 69444055 OUSBFVLSIXZUFH-HNNXBMFYSA-N 348.447 1.807 0 40 EDAB O=C(NCc1cn2ccccc2n1)[C@@H]1CSCN1C(=O)C1CCC1 69456607 NNGSPGPYLPIDQG-AWEZNQCLSA-N 344.440 1.652 0 40 EDAB CCn1nnc(NC(=O)c2ccc(OC)c(Br)c2)n1 558362 SGFIUDPYRFETFO-UHFFFAOYSA-N 326.154 1.716 0 40 EDAB CN(C)[C@H](CNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)c1ccco1 28839539 NGRGGOYBTOFJGW-FOGDFJRCSA-N 347.337 1.456 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 69492940 KDEGWGMVVBOBGY-SWLSCSKDSA-N 346.431 1.992 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)N[C@H]1CCCCNC1=O)CO2 40540811 GFHCYQHSSBEIPK-HNNXBMFYSA-N 330.384 1.646 0 40 EDAB CC(C)c1noc(CCC(=O)N[C@@H]2CCCN(c3ncccn3)C2)n1 40553775 YUMUMDAZSPVGLK-CYBMUJFWSA-N 344.419 1.701 0 40 EDAB CCCCOCCCNCC(=O)Nc1ccc(S(N)(=O)=O)cc1 3338960 XNWOTJGKKOXPBS-UHFFFAOYSA-N 343.449 1.069 0 40 EDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)cc1 4113329 HOHXUPJXAPUKSF-ZOWXZIJZSA-N 336.413 1.886 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)C(C)C)C2)on1 51466992 VINODDKARIQEFX-LBPRGKRZSA-N 329.422 1.163 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C 4503637 UUBSTOKETATPCB-UHFFFAOYSA-N 341.429 1.967 0 40 EDAB NC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1 32100582 CLSUJWHPMGVTKN-HNNXBMFYSA-N 336.355 1.195 0 40 EDAB O=C(NCCCNCc1ccccc1)c1nc2ccccc2c(=O)[nH]1 20723305 RRZDJZNYLFKEEL-UHFFFAOYSA-N 336.395 1.833 0 40 EDAB Cc1cccc(Cn2cc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)cn2)c1 6924242 GPJXSXZTXRZBOT-WNKDZCFJSA-N 337.379 1.907 0 40 EDAB CN(C)C1(CNc2c(NCc3ccccn3)c(=O)c2=O)CCCC1 101690296 ZHIXYCSSDOHSNH-UHFFFAOYSA-N 328.416 1.576 0 40 EDAB CCN1CCC[C@@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 69416930 KQQHPOQXAUKFGD-MRXNPFEDSA-N 342.447 1.721 0 40 EDAB COC(=O)[C@@H](CCSC)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 100757054 UMOGQTFWNXIEOH-GARJFASQSA-N 331.821 1.799 0 40 EDAB Cc1cc(NC(=O)COc2cccc(N3CCCC3=O)c2)n(C)n1 46030430 YNSKBKCDIRXYGI-UHFFFAOYSA-N 328.372 1.873 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccco2)n2nc(C)nc2N1 10157084 ZVFZDAQSDNOLTE-CQSZACIVSA-N 329.360 1.327 0 40 EDAB COc1ccc(CNC(=O)NCc2ccc(-n3cccn3)nc2)cn1 32802606 DTXJDJWACHHFSB-UHFFFAOYSA-N 338.371 1.670 0 40 EDAB O=S1(=O)CC[C@H](N(C2CC2)S(=O)(=O)c2cccc(Cl)c2)C1 58457607 OEGZTVIDKNKYLW-LBPRGKRZSA-N 349.861 1.680 0 40 EDAB CCN(Cc1cccs1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O 9609141 DPGIMQLTINDXPQ-UHFFFAOYSA-N 343.408 1.800 0 40 EDAB COc1ccccc1N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)OC(C)C)[C@H]3C1=O 102094888 VTCRUVJPMOKWNC-CYJAXWMASA-N 343.379 1.933 0 40 EDAB Cc1cc(C)cc(-n2nnn([C@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)c1 103008087 HWOVWQFHZUFIRG-YUTCNCBUSA-N 332.385 1.671 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(c2ncnc3sccc23)CC1 22195931 HLLKNEMDDRRBCX-LLVKDONJSA-N 331.445 1.480 0 40 EDAB CCn1ncc(CN2CCc3nc4cc(C)nn4c(O)c3CC2)c1C 100775101 PARPMTQJERUEHP-UHFFFAOYSA-N 340.431 1.869 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)CNC(=O)c2ccco2)n1 22282596 UCGYSDIVRDLSJJ-UHFFFAOYSA-N 337.357 1.210 0 40 EDAB C[C@H]1CN(CCNS(=O)(=O)c2cc(F)cc(F)c2)C[C@@H](C)O1 41892504 QULHSLHUUKBDDK-PHIMTYICSA-N 334.388 1.352 0 40 EDAB C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N1C[C@@H](C)O[C@H](C)C1 53800299 OVWPMURXLFCQOG-BFHYXJOUSA-N 327.469 1.153 0 40 EDAB Cc1ccc(N2N=C(C(=O)NS(C)(=O)=O)CCC2=O)cc1Cl 42279832 HIQAVLKITIWAPU-UHFFFAOYSA-N 343.792 1.207 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)c2n[nH]c3ccccc23)CC1 33933684 CRUACAZYRNPYOG-UHFFFAOYSA-N 338.415 1.645 0 40 EDAB CCCCC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24097144 IKTCZHULGHDVEF-UHFFFAOYSA-N 328.416 1.758 0 40 EDAB CSc1ncc(Cl)c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 12568368 SZJOSEVZEOCYJS-SSDOTTSWSA-N 335.838 1.111 0 40 EDAB Cc1nc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)[nH]c(=O)c1CCO 24747856 FHOSFHCJMPWCDV-GXFFZTMASA-N 339.461 1.400 0 40 EDAB CC(C)CNC(=O)CN1CCN(c2ncnc3ccsc23)CC1 24717389 NWTODGRVENCIIX-UHFFFAOYSA-N 333.461 1.586 0 40 EDAB Cc1ccc(N2CCC[C@H](N[C@H](C)C(=O)NC[C@@H]3CCCO3)C2)nn1 106786514 NJJJRKBRNKKSEE-PMPSAXMXSA-N 347.463 1.027 0 40 EDAB CCOc1ccc(-n2ncc(C(=O)Nc3cnn(C)c3)c2C)nn1 25308265 CAKLYTMXZKJTDP-UHFFFAOYSA-N 327.348 1.355 0 40 EDAB CN(C)S(=O)(=O)N1CCN(C(=O)NC2CCCCCCC2)CC1 26148251 GEMJRCKBBLLDQA-UHFFFAOYSA-N 346.497 1.233 0 40 EDAB Cc1ccnc(-n2cc(S(=O)(=O)N3C[C@H](C)OC[C@H]3C)cn2)c1 107531385 XFNUOMFJHMQCET-OLZOCXBDSA-N 336.417 1.374 0 40 EDAB CN1CC[C@H](C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1=O 44343613 RLJDRIQNSLMFJK-DLBZAZTESA-N 345.443 1.045 0 40 EDAB CCc1ncncc1C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 44469135 JCAKUIVCJGPIRZ-UHFFFAOYSA-N 348.428 1.056 0 40 EDAB CS(=O)(=O)NCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 58066017 GUMZGPZHASRBQP-UHFFFAOYSA-N 349.456 1.716 0 40 EDAB CC(=O)N(C)C1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1 58155881 ZDJMFPOIFHJSKL-UHFFFAOYSA-N 338.429 1.173 0 40 EDAB CC(=O)N[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C 44874618 YBMKKNKACXITCJ-XHDPSFHLSA-N 340.445 1.428 0 40 EDAB Cc1cc2n(n1)C[C@H](CNCCS(=O)(=O)c1ccccc1)CN2 58296359 CRKBIUALYPFVQI-CQSZACIVSA-N 334.445 1.297 0 40 EDAB O=C(CNS(=O)(=O)Cc1ccc(F)cc1)NC1CCCCC1 36105577 YHLBKAAKNYDUHT-UHFFFAOYSA-N 328.409 1.694 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(N2CCOCC2)cn1 44974066 XVHCFWJEZHLPTE-LBPRGKRZSA-N 344.371 1.268 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)CN2CCOCC2)c(C)c1 44937526 ASYABYIXZFUDAH-AWEZNQCLSA-N 342.461 1.311 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)N(C)C[C@@H]1COc2ccccc2O1 44948703 SPFCODFYFHRMBC-CYBMUJFWSA-N 341.429 1.356 0 40 EDAB O=C(Nc1cccc(C(=O)O[C@H]2CCS(=O)(=O)C2)c1)NC1CC1 58378650 GJDGDUAZIKKYCL-ZDUSSCGKSA-N 338.385 1.314 0 40 EDAB CCN1CCN(CC(=O)Nc2ccc3nc(C)sc3c2)C(=O)C1=O 58392946 ATYSQOXTCIXIHP-UHFFFAOYSA-N 346.412 1.234 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)N1CCN(c2ccccc2C)CC1 12747258 ZNUPHCIRRKNXQR-HNNXBMFYSA-N 332.448 1.741 0 40 EDAB CCOC1CCN(C(=O)c2c(C)oc(C)c2S(N)(=O)=O)CC1 58413592 BKQXRQXBCRLLJM-UHFFFAOYSA-N 330.406 1.185 0 40 EDAB COC(=O)NCC(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 48320363 OIZAPMIRFKHZFP-UHFFFAOYSA-N 345.355 1.195 0 40 EDAB O=C(NCCc1cn2ccccc2n1)NC[C@@H](O)CN1CCCCC1 48342017 YXGFUBNEWCVIPA-MRXNPFEDSA-N 345.447 1.023 0 40 EDAB CCOC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1 48374152 SZJYDRYIIVBXMR-UHFFFAOYSA-N 326.824 1.900 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1cc2ccccc2o1 12823187 MLJWGIBKEJHXFA-LLVKDONJSA-N 341.367 1.928 0 40 EDAB Cc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(C)s2)no1 3458346 TXRUASMFWQWKHT-UHFFFAOYSA-N 337.357 1.265 0 40 EDAB O=C1CC[C@H](C(=O)NC2(C(=O)NC3CCCCC3)CCCCC2)N1 3626048 SKMRQAYEKJMDDU-CQSZACIVSA-N 335.448 1.533 0 40 EDAB CN(C)[C@H]1CCN(S(=O)(=O)c2cncc(Br)c2)C1 62983932 XERFWLOISSXLIC-JTQLQIEISA-N 334.239 1.169 0 40 EDAB O=S(=O)(CCN[C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 69585052 SGFCTNOZFHBTRO-LBPRGKRZSA-N 340.836 1.310 0 40 EDAB CN(CC(=O)N(C)C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 69510436 PLNRKBIBYOYLJX-GOSISDBHSA-N 333.476 1.452 0 40 EDAB COc1ncccc1CNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 69595373 DASAGCFFZYOJFZ-AWEZNQCLSA-N 340.383 1.695 0 40 EDAB CC1CCC(NS(=O)(=O)CC(=O)NCCc2cccs2)CC1 69537603 YCYQUOVZSKPQIB-UHFFFAOYSA-N 344.502 1.905 0 40 EDAB COC(=O)[C@@H]1SC[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)N12 4106644 PNLQFJSQEJKGBE-ONGXEEELSA-N 326.761 1.723 0 40 EDAB CCOCCN1CCN([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)CC1 69658616 DRAXMYTYDATAPZ-HNNXBMFYSA-N 337.468 1.018 0 40 EDAB C[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)NC1CC1 6114337 WRPKAASICWCFOZ-GFCCVEGCSA-N 330.384 1.633 0 40 EDAB CN1CC[C@@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1=O 65473613 CTZYOCKJPYVMPX-GFCCVEGCSA-N 336.823 1.252 0 40 EDAB Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc[nH]c3=O)C2=O)cc1C 65474879 IFBHJHATKIWNHX-AWEZNQCLSA-N 325.368 1.983 0 40 EDAB O=C(CN(CCO)Cc1ccccc1)N1CCO[C@@H]2CCCC[C@@H]21 69705739 NTYBRCBOYYISTA-ZWKOTPCHSA-N 332.444 1.651 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N1CC[C@H](Nc2ccccc2)C1 65551668 GEICLKKAEVMRLI-HNNXBMFYSA-N 349.394 1.505 0 40 EDAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1CC(=O)NC(=O)NC(C)(C)C 65553899 RLDIBAKUGAEGTC-AAEUAGOBSA-N 346.431 1.478 0 40 EDAB CCC(=O)N1CCC[C@H](C(=O)NCc2n[nH]c(=S)n2CC)C1 65521710 BXSLRXNGONQHBM-JTQLQIEISA-N 325.438 1.225 0 40 EDAB Cc1ccc(C)c(N2N=C(C(=O)OCC(=O)NC3CC3)CCC2=O)c1 5450239 MDJAUDVHVLLZGW-UHFFFAOYSA-N 343.383 1.608 0 40 EDAB CC(=O)N[C@@H](C(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1)C(C)C 6505075 SRPQNPXKRCZZQJ-IINYFYTJSA-N 331.372 1.688 0 40 EDAB CC(C)NC(=O)NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 6651513 UERAYIIYYUQUPP-UHFFFAOYSA-N 330.392 1.698 0 40 EDAB COC(=O)CNC(=O)CSc1nccn1-c1cc(C)cc(C)c1 7056925 CCDKCLSPDJKLNO-UHFFFAOYSA-N 333.413 1.870 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(S(C)(=O)=O)c1 68529250 CXJNXIKLHHAUSP-WDEREUQCSA-N 341.433 1.515 0 40 EDAB COc1cc2c(cc1OC)CN(S(=O)(=O)c1cn(C)cn1)CC2 69092576 OCGCEBNEARQRNP-UHFFFAOYSA-N 337.401 1.184 0 40 EDAB Cc1nn2cccnc2c1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 71847739 LLFXMDPBBSGVBP-OAHLLOKOSA-N 349.394 1.569 0 40 EDAB NC(=O)[C@H](NC(=O)c1ccc(=O)n(-c2ccccc2)n1)c1ccccc1 71800788 YQYCMBJMPYYJQZ-QGZVFWFLSA-N 348.362 1.189 0 40 EDAB Cn1nc(C(=O)N2CCC[C@H]2Cn2cccn2)c2ccccc2c1=O 71866187 SPNMCQRURGEVFL-ZDUSSCGKSA-N 337.383 1.435 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2c(C)oc3nc[nH]c(=O)c23)c1 71866887 VSWWDIKSGPPCOM-GFCCVEGCSA-N 341.371 1.634 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCC1(c2ccc3c(c2)OCO3)CC1 71853458 TYULSTJTVLKFAC-TZMCWYRMSA-N 344.411 1.725 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2nccs2)CC1 71831333 UUOCDVJVQBUZSH-CQSZACIVSA-N 331.397 1.632 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 71893164 FQBHJKDLPWOKRS-JTQLQIEISA-N 348.827 1.549 0 40 EDAB O=C(Cc1cccc(Cl)c1)N1CCN(CCn2cncn2)CC1 75915635 COYVHSHRKQJPTE-UHFFFAOYSA-N 333.823 1.318 0 40 EDAB CCc1cc(NC(=O)C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)n(C)n1 76018313 ITHNOVOOIVXQEI-GWCFXTLKSA-N 348.353 1.872 0 40 EDAB COC(=O)C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)OC 72245333 JWQJJYRXWKOFSJ-JTQLQIEISA-N 349.261 1.420 0 40 EDAB CC(C)(C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20104083 MQBCFKXJKJXRAI-LBPRGKRZSA-N 346.836 1.782 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)CCc3ccsc3)C2)n[nH]1 76060300 KEINOQXJJOYBKF-GFCCVEGCSA-N 332.429 1.909 0 40 EDAB CCC[C@H](NC(=O)c1ccc(Br)cn1)c1nnn[nH]1 97014379 CFOUGZVWEUYBTP-QMMMGPOBSA-N 325.170 1.628 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)N[C@@H]1CCc2c(Cl)cccc21 97032324 NQQNEYYQCQZAQW-CYBMUJFWSA-N 330.837 1.725 0 40 EDAB CCc1oc(C(=O)NCCNc2ncnc3c2cnn3C)cc1C 97014988 NCFIZQQGNFQHFL-UHFFFAOYSA-N 328.376 1.669 0 40 EDAB CC(C)C[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N(C)C 97139906 JPAWTHAVRDQTCH-CYBMUJFWSA-N 342.461 1.712 0 40 EDAB CC(=O)c1cccc(OCC(=O)N(C2CC2)[C@H]2CC(O)=NC2=O)c1 97298250 OSGVXUPKWJKTEG-AWEZNQCLSA-N 330.340 1.514 0 40 EDAB CN1C[C@@H](NS(=O)(=O)Cc2ccccc2C(F)(F)F)CC1=O 78808702 JQNSNVQMNULYLS-JTQLQIEISA-N 336.335 1.356 0 40 EDAB CC(C)c1cnc(CN2CCO[C@@H](CN(C)c3cccnn3)C2)o1 84630747 UZPLLDGQNQVUGQ-AWEZNQCLSA-N 331.420 1.925 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N(C)C[C@H]2CCCO2)C1=O 84678096 XVZMTBQLVLBLFE-UONOGXRCSA-N 332.400 1.828 0 40 EDAB C[C@@H]1COCCN1c1ccc(NC(=O)[C@@H]2C[C@@H]2c2nc[nH]n2)cc1 95465240 KMTNMIRIPUSRPP-BYCMXARLSA-N 327.388 1.772 0 40 EDAB C[C@H](C(=O)N1CCCCC1)N1CCN(c2ncc(Cl)cn2)CC1 95418481 OHVRHSSDPLIQCE-CYBMUJFWSA-N 337.855 1.653 0 40 EDAB C[C@@H](CN1CCOCC1)Nc1ncccc1I 95400216 JWMUYBOIMZEVAV-JTQLQIEISA-N 347.200 1.819 0 40 EDAB CN(C)S(=O)(=O)Nc1cnn(-c2ccccc2Br)c1 95439174 YBQLFCFMYCREQW-UHFFFAOYSA-N 345.222 1.853 0 40 EDAB CC[C@@H](C(=O)NCc1noc(-c2ccsc2)n1)N1CCCC1=O 84718737 XVRBXPQCQJNLDH-NSHDSACASA-N 334.401 1.815 0 40 EDAB O=C1[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccccc1Cl 409281154 CPSRRXCPVVMVKA-KOFHJDLBSA-N 347.754 1.526 0 40 EDAB CCC[C@H](NC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2)C(=O)O 95991863 COUJCYHUVZGCAS-FYJFLYSWSA-N 335.356 1.849 0 40 EDAB COc1ccc2nc(C3CC3)cc(C(=O)NCC(=O)N(C)C)c2c1 89311976 ZCVRGLPONMRZML-UHFFFAOYSA-N 327.384 1.939 0 40 EDAB CC(C)CNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9953557 MZXFXLMIHVFHGG-UHFFFAOYSA-N 339.399 1.814 0 40 EDAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H]1CCc2nncn2C1 551321389 MGETYLITHPQHDZ-MRVPVSSYSA-N 345.350 1.974 0 40 EDAB N#Cc1cccc(S(=O)(=O)N(CC(=O)O)Cc2ccc(F)cc2)c1 547592193 VTSMCVRILKQRKP-UHFFFAOYSA-N 348.355 1.973 0 40 EDAB CCOc1ccc(N([C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 408912177 PGNLRTRBHUKWTQ-LBPRGKRZSA-N 328.434 1.764 0 40 EDAB C[C@@H]([C@@H](O)c1cc2c(cc1Br)OCO2)N1CCOCC1 31624114 BVFGPUFWKJHUEU-LKFCYVNXSA-N 344.205 1.932 0 40 EDAB C[C@@H](C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1)n1cnnn1 524730575 NSZOIWKVPIZWGG-VIFPVBQESA-N 330.779 1.954 0 40 EDAB biogenic CCn1ncc(CNC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n1 528017831 HEBHDXBOKCDVDE-ZDUSSCGKSA-N 332.383 1.515 0 40 EDAB C/C=C/C(=O)O[C@H]1/C=C/[C@H](O)[C@H](OC(C)=O)CCC(=O)O[C@@H]1C 35458796 GXBAKQFLYWSOJH-VFXLOZIDSA-N 326.345 1.049 0 40 EDAB biogenic,in-vitro CCS[C@H]1CCCCN(C(=O)CCCN2C(=O)CN(C)C2=O)C1 78987681 ZFBUCPPDTHTWLL-ZDUSSCGKSA-N 341.477 1.795 0 40 EDAB CCOC(=O)c1cc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)[nH]c1C 556145769 QRVXZVPCGKDUFR-GXTWGEPZSA-N 342.461 1.945 0 40 EDAB COc1cccc(NC(=O)[C@H]2CCCN(c3ccc(=O)n(C)n3)C2)c1 75166415 XDKICIOMPALOBT-ZDUSSCGKSA-N 342.399 1.644 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(C)(C)C)c(C(=O)O)c1 217663372 MBFQHISHXGMAQU-SNVBAGLBSA-N 344.433 1.908 0 40 EDAB COC(=O)c1cn(CC(=O)c2ccc(CNC(C)=O)cc2)c(C)n1 557187831 UJAYKNQWRNPNQG-UHFFFAOYSA-N 329.356 1.497 0 40 EDAB CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOCC 217709446 JVFAMCFYENCYPV-UHFFFAOYSA-N 330.406 1.522 0 40 EDAB Cc1cc(C(=O)Nc2nc(C)c(C)s2)nc(N2CCOCC2)n1 71195478 LXTPDVHHYRKNMW-UHFFFAOYSA-N 333.417 1.947 0 40 EDAB Cc1cc(N(C)C)nc([C@@]2(C)CCCN2C(=O)CN2CCOCC2)n1 72388524 FQZAQLABSOXRBN-GOSISDBHSA-N 347.463 1.021 0 40 EDAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccco2)CC3)C[C@@H](C)O1 72335459 XZXNHUPHSJLHJB-BETUJISGSA-N 344.415 1.947 0 40 EDAB Cc1cn2nc(N[C@@H]3CCN(C(=O)c4cc(F)c[nH]4)C3)ccc2n1 560408835 RKMUZSOKXQGVCT-GFCCVEGCSA-N 328.351 1.832 0 40 EDAB C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC(CN2CCOCC2)CC1 182364293 CLYQGVYGDGWCPH-NSHDSACASA-N 344.399 1.311 0 40 EDAB CCOC(=O)c1csc(NC(=O)[C@H](C)NC(=O)c2ccoc2)n1 78913048 HWSXSHKBQRZUNU-QMMMGPOBSA-N 337.357 1.670 0 40 EDAB C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1nc2ccccc2o1 72244851 HZYGBAAUJXCACD-CMPLNLGQSA-N 337.401 1.429 0 40 EDAB COc1ccc(C(=O)N(C)CC(=O)N2CCCC2)cc1OC(F)F 47793124 NKZNJONDEVJYFY-UHFFFAOYSA-N 342.342 1.991 0 40 EDAB CCc1nnc(Nc2cc([C@H]3CCCN3C(=O)CN)nc(C)n2)s1 72360900 NJEOKVBLXZCNRR-LLVKDONJSA-N 347.448 1.565 0 40 EDAB Cn1cc(S(=O)(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)C2)cn1 225679297 MNTKEYYDOYEXFM-GFCCVEGCSA-N 335.385 1.327 0 40 EDAB C=Cn1cc(CNCc2cccnc2N2CCC[C@H](C(N)=O)C2)cn1 225582708 ICYZATPCELBBSC-INIZCTEOSA-N 340.431 1.370 0 40 EDAB Cc1nnc([C@@H](C)S(=O)(=O)c2nc(Cc3cccs3)n[nH]2)o1 195163132 RENBODHINAJKFF-SSDOTTSWSA-N 339.402 1.683 0 40 EDAB O=C(NCc1nnc2ccccn12)[C@@H]1CCCN(c2ncccn2)C1 45133164 MJUXPBLRXJKPBR-CYBMUJFWSA-N 337.387 1.052 0 40 EDAB O=C(c1c(O)cc(F)cc1F)N1CCCC[C@H]1CN1CCOCC1 81791594 UYBGGCZHKNTTFK-ZDUSSCGKSA-N 340.370 1.997 0 40 EDAB COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCNCC4)c3CO2)cc1 85397329 CTSLXEDGNWPZNM-INIZCTEOSA-N 342.399 1.209 0 40 EDAB CCOC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2c1cnn2C 96044612 JEBDFVZDPXVYPP-ZDUSSCGKSA-N 343.383 1.925 0 40 EDAB CCN(CC)[C@@H](CNC(=O)N[C@H]1CCC(=O)N(C)C1)c1ccccc1 96415181 QHWHDWJVEPDMFH-IRXDYDNUSA-N 346.475 1.990 0 40 EDAB COCCn1cc2c(n1)[C@H](CNCc1ccc(OC)cc1)OCC2 96059702 OQLBYQHHRXIROR-KRWDZBQOSA-N 331.416 1.942 0 40 EDAB CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)C2CCOCC2)Oc2ccccc21 96111973 IHFUNXSTKBPAGQ-ZFWWWQNUSA-N 330.384 1.438 0 40 EDAB biogenic,in-vitro CC(C)n1cc(S(=O)(=O)NCc2nc(-c3ccco3)n[nH]2)cn1 96428005 UENMNKZUVRATTI-UHFFFAOYSA-N 336.377 1.321 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CN(c2ncccn2)C[C@H]2OCC[C@H]21 96038891 JNTRWKXKRQIOJS-ARFHVFGLSA-N 339.399 1.029 0 40 EDAB O=C(c1ccco1)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96048361 JGDGSLFXPAJSNU-SUMWQHHRSA-N 328.372 1.945 0 40 EDAB COC[C@H]1CN(C(=O)c2ccnnc2)Cc2ncn(CC3CC3)c21 96060283 LTNGAMPGDSWYGG-CQSZACIVSA-N 327.388 1.469 0 40 EDAB CN1CCCC[C@H]1CCn1ncc(N2CCC(CN)CC2)cc1=O 95367570 LSEDSCWFHGNKJM-INIZCTEOSA-N 333.480 1.293 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3OCCN(CC4CC4)[C@@H]3CC2)cn1 96082221 TUOOIXZTDSTIFW-IAGOWNOFSA-N 330.432 1.500 0 40 EDAB Cn1cc(CN2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)cn1 96239679 COAMNWRQODQBGW-INIZCTEOSA-N 348.401 1.948 0 40 EDAB CCCS(=O)(=O)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 96108165 SXRXRWLIAQSCNQ-DZGCQCFKSA-N 328.434 1.152 0 40 EDAB COCCN(C)C(=O)c1ccc2nnc([C@@H]3CCN(C(C)C)C3)n2c1 96267459 SBHTZFOTNCEJGG-CQSZACIVSA-N 345.447 1.645 0 40 EDAB O=C([C@H]1C[C@@]12CCN(S(=O)(=O)c1cccs1)C2)N1CCCC1 96075007 QIDXUBUPHLXNSU-IUODEOHRSA-N 340.470 1.771 0 40 EDAB O=C([C@H]1Cc2ccccc2CN1)N1CCC[C@@H](N2CCCC2=O)C1 95426508 MABAWODDJZQIMS-IAGOWNOFSA-N 327.428 1.314 0 40 EDAB Cn1ccnc1CN1CCO[C@@H]2[C@@H]1CC[C@@H]2CNC(=O)c1ccco1 96250316 SLDAZCPWSMHKSS-KEYYUXOJSA-N 344.415 1.423 0 40 EDAB Cc1noc(C[C@H]2CO[C@@H]3CN(C(=O)Cc4ccccn4)C[C@@H]32)n1 96220421 CXHOPCJYDBEGLC-NWANDNLSSA-N 328.372 1.032 0 40 EDAB CC(C)NC(=O)N1CCN(CCn2cccn2)c2ncccc2C1 96069212 OZBMFJOOABJGJM-UHFFFAOYSA-N 328.420 1.718 0 40 EDAB COC[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cn(C)nc21 96044692 VLVHJXOWJGSUJP-AWEZNQCLSA-N 343.383 1.464 0 40 EDAB O=C1C[C@@]2(CCN(S(=O)(=O)C3CC3)C2)CN1c1cccc(F)c1 96050756 CAXHXMQMJOTAND-MRXNPFEDSA-N 338.404 1.747 0 40 EDAB CO[C@@]1(C)C[C@H](NC(=O)c2cnc3sc(C)cn3c2=O)C1(C)C 92945673 PGWKKCQGJLDTQD-ZBEGNZNMSA-N 335.429 1.998 0 40 EDAB O=C(c1ccco1)N1CCOC2(CCN(c3ncccn3)CC2)C1 96158902 JPDHQAWKMLKPGX-UHFFFAOYSA-N 328.372 1.581 0 40 EDAB CN(C)C(=O)COCC[C@@H]1CCOC12CN(Cc1ccccn1)C2 248029219 STWHYFYTAXFDDU-OAHLLOKOSA-N 333.432 1.167 0 40 EDAB c1cc(CO[C@H]2CN(C3CCOCC3)Cc3ccnn3C2)ccn1 253588822 UQUWHLULVYOEAH-SFHVURJKSA-N 328.416 1.858 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1 253489505 FLMJUPPWIKZNGK-AWEZNQCLSA-N 326.418 1.181 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cc(C)on3)CCN2C)c1 257225572 FGTZZJHTAAUIAJ-INIZCTEOSA-N 342.399 1.472 0 40 EDAB Cc1nc(-c2ccnn2C)cc([C@H]2CCCCN2S(C)(=O)=O)n1 257247460 IZCVAKNXMYLUFX-OAHLLOKOSA-N 335.433 1.672 0 40 EDAB Cc1nc(C(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)c(C)s1 585087633 XSEIUABGIAYWLG-CYBMUJFWSA-N 347.444 1.528 0 40 EDAB CC[C@@H](NC(=O)c1cc(N)nc(Br)c1)[C@H](O)C(C)C 585131609 AKUXXACHQKVNRG-BXKDBHETSA-N 330.226 1.952 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCNC34CCCC4)cc12 585137364 VCLBRGZZTRNAFD-CQSZACIVSA-N 349.460 1.230 0 40 EDAB C[C@H]1CN(C)C[C@H](C(=O)NCc2nccn2CCc2ccccc2)O1 585122322 XAGOGIBZCITKKE-DOTOQJQBSA-N 342.443 1.461 0 40 EDAB Cc1ccn(CCC(=O)N2CCO[C@@H](CCc3ccncn3)C2)n1 257283510 OYQNORYJZIXIMP-INIZCTEOSA-N 329.404 1.232 0 40 EDAB Cc1ncc(CNC(=O)C(C)(C)n2cncn2)c([C@H]2CCCN2C)n1 257306164 STEGPUIJNUBDQQ-CQSZACIVSA-N 343.435 1.195 0 40 EDAB Cc1ccnc([C@@H]2CN(S(=O)(=O)c3ccccc3C)CCO2)n1 257307982 TUYTZJQJXVMHCW-AWEZNQCLSA-N 333.413 1.856 0 40 EDAB Cc1cc(C)n(CC(=O)NCc2ccnc([C@H]3CCCOC3)n2)n1 257245927 IRSLTDRMBYIVHD-AWEZNQCLSA-N 329.404 1.500 0 40 EDAB Cc1cc(-c2cc[nH]n2)nc(CC2CCN(S(C)(=O)=O)CC2)n1 257250154 JLGSVDPFOYLALF-UHFFFAOYSA-N 335.433 1.389 0 40 EDAB O=C1C[C@@H](c2ccccc2)N(C(=O)[C@H](C2CC2)N2CCCC2)CCN1 273437991 AIJYFAIBECGFBP-HKUYNNGSSA-N 341.455 1.951 0 40 EDAB CNC(=O)C[C@@]1(O)CCCN(c2ncnc3c(F)c(OC)ccc23)C1 591623153 YQJLTUAULASAMB-KRWDZBQOSA-N 348.378 1.245 0 40 EDAB CC(C)[C@H](NC1CCOCC1)C(=O)NCc1nc2cccnc2[nH]1 283116082 VYSVIKAIZLRLHU-HNNXBMFYSA-N 331.420 1.367 0 40 EDAB O=C(NCC(=O)N1CC2(CCOCC2)[C@H]1C1CC1)c1cscn1 1615001181 AVWRBUUSRDTNJK-CQSZACIVSA-N 335.429 1.291 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3ccsc3)[C@H]2C1 575405771 TYFWDKBQZWANMJ-URWOTSEESA-N 334.441 1.607 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)c1ccc2ncccc2c1 585277006 FISGHVYYECOYFK-GOSISDBHSA-N 327.384 1.731 0 40 EDAB O=C(CN1CCC[C@@](O)(COc2ccc(F)cc2)C1)NC1CCC1 585277115 LJRZNMATVWAHII-SFHVURJKSA-N 336.407 1.700 0 40 EDAB CCCCC(=O)N1CCn2cc(CC(=O)NCCOC)nc2[C@@H]1C 585096172 AIZAVNHLDAREQO-ZDUSSCGKSA-N 336.436 1.282 0 40 EDAB CSc1ncccc1C(=O)N1CCC(CNS(C)(=O)=O)CC1 43960053 CHIUSAUZDJNVIS-UHFFFAOYSA-N 343.474 1.205 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)CCCNC(=O)c1ccsc1 54814462 ZHQSEDLFBJYTIO-ZDUSSCGKSA-N 337.445 1.337 0 40 EDAB COc1ccc(C[C@H]2CCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)cc1 55612583 CRYSBVLDKXIKJF-HUUCEWRRSA-N 337.441 1.663 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)[C@H](C)OC[C@@H]2CCCO2)cc1 65592453 LCSASXGPYRCLIT-BBRMVZONSA-N 334.416 1.589 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccc(N3CCCC3)nc1)C2 69588486 PFUXRKXMSRGBCE-UHFFFAOYSA-N 326.404 1.492 0 40 EDAB CNC(=O)NC(=O)CN1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C 69509851 ONQMMHYENBGQGT-NWDGAFQWSA-N 342.440 1.210 0 40 EDAB CCN(C)CCNC(=O)c1ccncc1I 95977605 ORSVACNFBOCWNN-UHFFFAOYSA-N 333.173 1.368 0 40 EDAB CN(C[C@H]1CCC[C@@H]1O)C(=O)NCc1nccn1CC(F)(F)F 95974455 BWORUMJVKXPAON-MNOVXSKESA-N 334.342 1.748 0 40 EDAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccn2)c1 96997769 JNBXZYQCKYPNDI-UHFFFAOYSA-N 341.414 1.133 0 40 EDAB Cc1nc2ncnn2c(NCc2ccc(S(C)(=O)=O)nc2)c1C 1615003108 FAPNPZKNSGYJBR-UHFFFAOYSA-N 332.389 1.152 0 40 EDAB COCCN1C(=O)CO[C@H]2CCN(Cc3scnc3C)CC[C@@H]21 1615619911 MCHRPYHFSQCGOI-KBPBESRZSA-N 339.461 1.290 0 40 EDAB COc1cccc(N2C[C@H](NCc3cnn4c3CCC4)CC2=O)c1 1616044558 UHILEGMEMYTCGM-CQSZACIVSA-N 326.400 1.733 0 40 EDAB CCOC(=O)[C@H]1[C@@H](c2cccnc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691772 RSLVVUUOPBHYPT-LNLATYFQSA-N 349.334 1.031 0 40 EDAB Cc1cccc(-n2c(-c3ccco3)nn(CC(=O)NC3CC3)c2=O)n1 12117413 QQACNEPXUBRASL-UHFFFAOYSA-N 339.355 1.276 0 40 EDAB Cc1nc(NC(=O)CSc2nnc[nH]2)nc2c1C(=O)C[C@H](C)C2 13636252 ZEZHSAQIWZVVSG-SSDOTTSWSA-N 332.389 1.399 0 40 EDAB Cc1c(C)n(C[C@@H](O)CN2CCN(CCO)CC2)c2ccccc12 19973630 XFEOYDJUGMDZNQ-KRWDZBQOSA-N 331.460 1.229 0 40 EDAB Cc1noc(C)c1CC(=O)N1CC[C@H](Oc2cncc(N(C)C)n2)C1 225402959 RYLWYBGGDRVJCR-ZDUSSCGKSA-N 345.403 1.370 0 40 EDAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NC[C@@](C)(O)C1CC1)C(=O)C2 227662725 IKYPKIOMKXLJHG-MAZHCROVSA-N 329.462 1.462 0 40 EDAB Cc1c([C@@H](NS(=O)(=O)c2ccc(Cl)s2)C(=O)O)cnn1C 530435600 WMKVNPMQPNVKBZ-SNVBAGLBSA-N 349.821 1.548 0 40 EDAB COC1CCN(C2CN(S(=O)(=O)c3ccccc3Cl)C2)CC1 575605258 IGHJPPDTTZITFV-UHFFFAOYSA-N 344.864 1.824 0 40 EDAB NC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 3545958 UMRZPSOGCXFICC-UHFFFAOYSA-N 341.323 1.291 0 40 EDAB O=C([C@@H]1CN(c2ccc(Br)cn2)CCO1)N1CCCC1 1888844533 FPUWIQRNNFAHRI-LBPRGKRZSA-N 340.221 1.672 0 40 EDAB Cc1nnc(N2CC(NC(=O)c3ccc(OC(C)C)nc3)C2)s1 1888850051 BAGQFELUBBTBSY-UHFFFAOYSA-N 333.417 1.647 0 40 EDAB Cc1cc(CN2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)on1 1888854051 DEJAQBKKDPFYAQ-VXGBXAGGSA-N 333.367 1.494 0 40 EDAB Cc1nc(C)c(F)c(N2CCN(c3ncnc4[nH]ccc34)CC2)n1 1888882110 VHBCFVGPKDLFLU-UHFFFAOYSA-N 327.367 1.830 0 40 EDAB CSCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 23055373 CYLHXORGOCRKSQ-UHFFFAOYSA-N 344.458 1.868 0 40 EDAB COc1cc(N2CCN(c3nccn4nc(C)cc34)CC2=O)ccn1 1776008040 UOBADPDEGLTKNY-UHFFFAOYSA-N 338.371 1.295 0 40 EDAB O=C(NCCN1C(=O)c2cccnc2C1=O)c1ccc(F)c(F)c1 242563630 CEYPHLXTTVQQSQ-UHFFFAOYSA-N 331.278 1.386 0 40 EDAB Cc1cccnc1C(=O)N1CC[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037984597 GRVUDDKXMHIGLB-GOSISDBHSA-N 331.416 1.490 0 40 EDAB NS(=O)(=O)c1ccc(-n2c(S)nnc2-c2cccnc2)cc1 8744360 UXBKMLDLIROHDS-UHFFFAOYSA-N 333.398 1.265 0 40 EDAB CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 9708288 UDGWFWPZVMCFSB-AWEZNQCLSA-N 329.425 1.714 0 40 EDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4csc(C)n4)C[C@H]3O2)n[nH]1 2055771525 FKZMZEZMCGDHRQ-CYZMBNFOSA-N 333.417 1.870 0 40 EDAB CCc1ccc(C(=O)N2CC[C@@H]3OCCN(CCOC)[C@@H]3CC2)cn1 2055745784 AFJHKPYGSDUBNL-MSOLQXFVSA-N 347.459 1.596 0 40 EDAB Cc1cc(C)nc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086884467 WXLPTBWEPYYIDS-ZDUSSCGKSA-N 340.374 1.556 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)COC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106219848 ACRQKMKKIIBDSE-QAETUUGQSA-N 340.464 1.574 0 40 EDAB O=C(NCc1nc(-c2ccccc2)no1)c1cccc(-n2cnnn2)c1 38488852 VFYPNBWORAYDMH-UHFFFAOYSA-N 347.338 1.642 0 40 EDAB O=S(=O)(NCc1cn(-c2cccnc2)nn1)c1ccccc1F 575617452 BDCWQMFVFNMVMP-UHFFFAOYSA-N 333.348 1.280 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C[C@@H](C)O1 8245929 HHAXDPLYMJDFJX-IIAWOOMASA-N 348.418 1.853 0 40 EDAB CCCc1noc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)n1 29223951 ZCNWDXNSHLWRCF-KRWDZBQOSA-N 326.356 1.916 0 40 EDAB CCN(C(=O)Cn1nnn(-c2cccs2)c1=O)c1ccccc1 10812439 CDUDZUFRFSBWCH-UHFFFAOYSA-N 329.385 1.544 0 40 EDAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1n[nH]c(=O)[nH]c1=O 115628 XHIFSJJKANVLIJ-ZETCQYMHSA-N 340.792 1.539 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)C=C(C)C)CC2)c1OC 58706859 LBFLFKZOHBRPNL-UHFFFAOYSA-N 332.400 1.954 0 40 EDAB Cc1cccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 36406079 DZECWSCIPCGXQD-UHFFFAOYSA-N 342.399 1.688 0 40 EDAB Cc1ccc(CCC(=O)N2CCC(CS(N)(=O)=O)CC2)c(C)c1 69922254 HCSDUZLVNWDALC-UHFFFAOYSA-N 338.473 1.763 0 40 EDAB O=C(Nc1ccc(F)cc1)C1CCN(CCN2CCOC2=O)CC1 69490692 DCKJEYKRNIOJFV-UHFFFAOYSA-N 335.379 1.928 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(C(=O)N(C)C)CC2)c1C 40520419 VTBXJZCPCKFVCI-UHFFFAOYSA-N 334.420 1.316 0 40 EDAB O=C(Cc1ccc(Br)cc1)N[C@@H]1CCCCNC1=O 40521861 BTSAJYWTYPJORV-GFCCVEGCSA-N 325.206 1.777 0 40 EDAB CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 6636383 CSNKRHHHZCYBPU-NEPJUHHUSA-N 328.434 1.667 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)CN2CCc3sccc3C2)C1 51530841 TVLXSDMXIUDIOS-CQSZACIVSA-N 345.472 1.641 0 40 EDAB CN1[C@H]2CCC[C@H]1CC(NC(=O)NCCNC(=O)c1ccco1)C2 101362988 UVPFBARBRUOQNA-KBPBESRZSA-N 334.420 1.324 0 40 EDAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)no1 8036356 WBAHXAAHDAFFOV-GFCCVEGCSA-N 349.387 1.646 0 40 EDAB COc1cccc(-n2nnc(C(=O)N3CCN(C)C[C@H]3C)c2C)c1 89556326 XMFHRQPZBZYYRJ-GFCCVEGCSA-N 329.404 1.360 0 40 EDAB Cc1nccn1CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 52193143 NRRBKMOKVGLPRO-QGZVFWFLSA-N 340.427 1.399 0 40 EDAB CCc1nnc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)s1 21288376 MUXRVUYURVPNQQ-UHFFFAOYSA-N 340.430 1.319 0 40 EDAB Cc1cc(=O)n2ncnc2n1C[C@@H](O)COCc1ccccc1Cl 32788658 TWJOJGAUFUBLGZ-CYBMUJFWSA-N 348.790 1.431 0 40 EDAB Cc1ccc(OCc2nc(C(=O)N3CC[C@H](C(N)=O)C3)cs2)cc1 41128545 QGCHBYFJFDWSRY-LBPRGKRZSA-N 345.424 1.978 0 40 EDAB CC(C)N(CCCNC(=O)c1cc(Cl)ccn1)S(C)(=O)=O 60592019 HGOWZSRNIRIYOK-UHFFFAOYSA-N 333.841 1.525 0 40 EDAB CCCNC(=O)CN1CCC(NC(=O)c2cc(C(C)C)[nH]n2)CC1 52823681 AVEUPHRSZJEYRZ-UHFFFAOYSA-N 335.452 1.254 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)NCc2cccc(S(N)(=O)=O)c2)C1 47033478 WGTWCZIVULDRQO-RYUDHWBXSA-N 325.434 1.522 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCNC(=O)C3CC3)CC2=O)cc1F 41904421 RMXMVMKQZUTCJB-CYBMUJFWSA-N 347.390 1.129 0 40 EDAB CCn1cnnc1CNC(=O)c1cc(-c2ccccc2OC)on1 47200621 WXGYDTRVAUJUCP-UHFFFAOYSA-N 327.344 1.892 0 40 EDAB CCOC(=O)C1=NO[C@H](Cc2cc3c(c(OC)c2OC)OCO3)C1 12412850 TZESZCZTHXYSRO-SNVBAGLBSA-N 337.328 1.683 0 40 EDAB O=C1COc2ccc(C(=O)NS(=O)(=O)c3cccs3)cc2N1 42243183 TZFIKXSHJMISPV-UHFFFAOYSA-N 338.366 1.198 0 40 EDAB Cn1c(=O)c2ccccc2n2c(COc3ccccc3C(N)=O)nnc12 12556394 WOAUQWRBWVCWIF-UHFFFAOYSA-N 349.350 1.259 0 40 EDAB c1cc(CO[C@H]2CN(CCN3CCCC3)[C@@H]3CCCO[C@H]23)ccn1 107714470 SVHFJEBVLWKHBT-QYZOEREBSA-N 331.460 1.926 0 40 EDAB O=C(NCc1cn2ccccc2n1)N1CCN(Cc2ccco2)CC1 54953715 KWVPEXLUJXODFE-UHFFFAOYSA-N 339.399 1.955 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)C[C@@H](NC(N)=O)c1ccccc1Cl 24473882 MDEFBIIGEBFTBZ-CQSZACIVSA-N 349.822 1.832 0 40 EDAB CC(=O)N1CCC(NC(=O)NCCc2ccc3c(c2)OCCO3)CC1 47717994 UHJJBJKQXRVICK-UHFFFAOYSA-N 347.415 1.310 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 24995566 XGMJYVHAZGYTFR-MWLCHTKSSA-N 344.337 1.325 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 25047324 UNFACLSWSZUPAG-UHFFFAOYSA-N 347.419 1.023 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)C[C@@H]1Sc2ccccc2NC1=O 47931693 AKECZXJSJSZIOU-RISCZKNCSA-N 330.413 1.891 0 40 EDAB CCCn1c(=O)n(CC(=O)N[C@@H](C)Cn2ccnc2)c2ccccc21 47931762 GHVWTTRJXAIGEB-AWEZNQCLSA-N 341.415 1.614 0 40 EDAB CC(=O)N[C@H](CC(=O)N1CCC(C(N)=O)CC1)c1ccc(C)cc1 25379839 RLLFRNINMPWIGS-MRXNPFEDSA-N 331.416 1.286 0 40 EDAB O=C(NCCn1ccnc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 43947077 TTWRVKDUQXZWHS-LBPRGKRZSA-N 332.791 1.706 0 40 EDAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)Cn1cccnc1=O 57253005 QEBWHVRTQJIOOH-ZDUSSCGKSA-N 329.404 1.389 0 40 EDAB OC[C@@H]1CCCN1C[C@@H]1CCCN1Cc1ncn(-c2ccccc2)n1 108371223 WRNCQGBNUFRKPX-ROUUACIJSA-N 341.459 1.688 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3ccccc3n2)C1 44381692 NIYNNVCSFZZESQ-CYBMUJFWSA-N 333.413 1.845 0 40 EDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 62001689 ITASIBIOHKWOKH-PKIAMQTDSA-N 330.384 1.151 0 40 EDAB C[C@H](Nc1ccc(CCN2CCSCC2)cc1)C(=O)NC(N)=O 57958283 OCBKMGIQSSZPEF-LBPRGKRZSA-N 336.461 1.273 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 44874794 UUHBBILLDLORNH-UHFFFAOYSA-N 331.353 1.260 0 40 EDAB CCOC(=O)C(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)OCC 58244368 NBMOYTYGVWXVJU-UHFFFAOYSA-N 345.355 1.097 0 40 EDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 58341352 FPALAHVOIWLDCA-GTNSWQLSSA-N 335.379 1.898 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ncn(Cc3cccnc3)n2)cc1 58355065 RRYPKICNARTBIQ-UHFFFAOYSA-N 329.385 1.831 0 40 EDAB CCn1cnnc1CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 58405262 PQWJZTAXLIFMFT-LBPRGKRZSA-N 331.376 1.060 0 40 EDAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cnccn2)cc1 10745558 PVWSRQMZOZYSRJ-UHFFFAOYSA-N 348.428 1.234 0 40 EDAB Cc1ccc(NC(=O)CN(C)CC(=O)N2C[C@@H](C)C[C@@H](C)C2)nc1 69015792 WSDWWKTUDJZBRM-GASCZTMLSA-N 332.448 1.765 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@]2(C1)C(=O)Nc1ccccc12 91302881 QLRMTNDTOAFSSX-GTNSWQLSSA-N 332.356 1.828 0 40 EDAB in-vitro C[C@@H](O)CN1CCC(CN(C)CCC(=O)NC2CCCC2)CC1 70039686 SKDYSMCUIIUKOD-OAHLLOKOSA-N 325.497 1.460 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cccn2Cc2ccncc2)CC1 70037148 XQHFXMDAENIJRN-KRWDZBQOSA-N 342.443 1.460 0 40 EDAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(O)nc2)cc1OC 13257104 MXQGAHJVMLCAID-GFCCVEGCSA-N 346.339 1.750 0 40 EDAB C[C@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1cccs1 69343055 UWJVMJCSTVLLNR-WDEREUQCSA-N 333.431 1.527 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2c(C)noc2C)C(N)=O)cc1 65478321 VKLPSZNSCLEGEK-CQSZACIVSA-N 345.399 1.764 0 40 EDAB O=C(Cc1csc(N2CCCC2=O)n1)N[C@H]1CCc2nccn2C1 65475305 GKWGZVUPKDPLCW-NSHDSACASA-N 345.428 1.140 0 40 EDAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCCO)c12 5323524 WGQZGWAKFYYHPO-UHFFFAOYSA-N 333.384 1.931 0 40 EDAB Cc1nc2sc(C(=O)OCC(=O)NC3CCCC3)c(C)c2c(=O)[nH]1 5311821 IGWDCILJUVPJAT-UHFFFAOYSA-N 349.412 1.817 0 40 EDAB C[C@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)C(N)=O 14112832 HVYJLJAVQOXTSO-NSHDSACASA-N 335.433 1.876 0 40 EDAB CN1C(=O)C[C@H](NC(=O)Cc2ccn[nH]2)[C@@H]1c1ccc(Cl)cc1 91769839 HRZADMGGXNEOBX-BBRMVZONSA-N 332.791 1.694 0 40 EDAB O=C(CNC(=O)c1ccccc1F)NC[C@@H]1COc2ccccc2O1 14169925 ZKHFCNBSNBRUAV-GFCCVEGCSA-N 344.342 1.512 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(Cl)s2)CC1 69616593 JJLGILDXHDDHAH-LLVKDONJSA-N 341.864 1.956 0 40 EDAB CCS(=O)(=O)C[C@H](C)N(C)CC(=O)NCc1ccc(OC)cc1 69658485 CUDKJGPXEBCMTR-ZDUSSCGKSA-N 342.461 1.066 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1Cc1ccccc1 69631681 RELGWMTXADRTPV-HZPDHXFCSA-N 336.457 1.980 0 40 EDAB C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2CCN3CC[C@@H](OC1=O)[C@H]23 4817628 BTHCJHQOYFUIMG-HZJKZDCTSA-N 337.416 1.273 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)N1CCN(Cc2ccccc2)C[C@H]1C 69702082 QFZPDMKCHCEPLE-JZXOWHBKSA-N 343.471 1.882 0 40 EDAB CCn1cc(CN2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cn1 91920307 AVIXXDOQTKAJJS-HUUCEWRRSA-N 334.464 1.751 0 40 EDAB CC(C)(C)NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 7025094 KSSCCBYOFCNOLC-UHFFFAOYSA-N 343.362 1.636 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCC(=O)N1CCc3ccccc31)CC2 69819514 BAFUTLAQWCXEHL-AWEZNQCLSA-N 325.416 1.334 0 40 EDAB CC(C)(C)c1nnnn1CC(=O)N1CCN(c2ccccc2F)CC1 67648199 HVLLWWDONBOVGN-UHFFFAOYSA-N 346.410 1.459 0 40 EDAB O=C(CCC(F)(F)F)Nc1cnn(CC(=O)N2CCOCC2)c1 80447419 ZSVRUBRCDVYNNB-UHFFFAOYSA-N 334.298 1.023 0 40 EDAB C[C@H](C(=O)NC1CCCCCC1)N(C)CC1CCN(CCO)CC1 69923587 OXWSCORAQNTACS-MRXNPFEDSA-N 339.524 1.850 0 40 EDAB COCCN1CCN(C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 69951170 DKUWTSUUOUYHJY-HNNXBMFYSA-N 348.365 1.883 0 40 EDAB O=C(NCCN1CCOCC1)c1ccc(Cn2cc(Cl)cn2)cc1 27969597 DDANJMDJSCVUOW-UHFFFAOYSA-N 348.834 1.647 0 40 EDAB COC(=O)c1c(NC(=O)C(=O)NCc2cccnc2)sc(C)c1C 9061304 UUBKPQOYVYZWLC-UHFFFAOYSA-N 347.396 1.801 0 40 EDAB Cc1cnn(C[C@H]2CN(CC(=O)N(C)Cc3ccc(C)o3)CCO2)c1 71185579 IYZAWYNBEJDGAU-QGZVFWFLSA-N 346.431 1.452 0 40 EDAB COc1ccc(CC(=O)N2CCC[C@@H](n3cncn3)C2)cc1OC 71847097 QVHYTLMUMVURPN-CQSZACIVSA-N 330.388 1.702 0 40 EDAB Cc1cc(F)ccc1-n1ccc(C(=O)Nc2nn(C)cc2C(N)=O)n1 96008828 FTUMHHRCKBHVSC-UHFFFAOYSA-N 342.334 1.405 0 40 EDAB C/C(=C\C(=O)N1CCCN(CC(=O)N(C)C)CC1)c1ccccc1F 96256184 DOTRKBQEQGBJKJ-FYWRMAATSA-N 347.434 1.852 0 40 EDAB CC(C)Oc1ccc(Cl)c(C(=O)N2CCN(C[C@@H](C)O)CC2)n1 71871385 DZODEVLRVKUTCO-GFCCVEGCSA-N 341.839 1.661 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CO3)cn1 71796973 WEAOIRAPHQLTNK-AWEZNQCLSA-N 326.356 1.728 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc(S(C)(=O)=O)cc2)cn1 71796871 HLDTYEILHAHLCO-HNNXBMFYSA-N 333.413 1.801 0 40 EDAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCCC1 71795040 VIPCFUYMDAPQHU-INIZCTEOSA-N 336.457 1.776 0 40 EDAB COc1cccc(/C=C2\C(=O)Nc3ccc(S(N)(=O)=O)cc32)c1 71958074 FFJOVTULPNSEHT-ZSOIEALJSA-N 330.365 1.835 0 40 EDAB O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)NC[C@H]2CCCO2)C1 71921993 QKCQRUZFTPNZEL-GHMZBOCLSA-N 339.421 1.077 0 40 EDAB CN(C)c1ncccc1CNS(=O)(=O)c1c[nH]c2ncccc12 71908350 JTQQYECNHGZULB-UHFFFAOYSA-N 331.401 1.502 0 40 EDAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 9724792 JACSKSTVNFKHFZ-KOLCDFICSA-N 349.811 1.892 0 40 EDAB O=C1NC[C@H](C(=O)NCc2cccc(COCc3ccco3)c2)N1 89774561 UDXDCCDPCFFKHO-OAHLLOKOSA-N 329.356 1.294 0 40 EDAB O=C(c1c[nH]c(=O)c(Br)c1)N1CCO[C@H]2CCCC[C@H]21 89762048 JYLIVDLAUJDNFM-NEPJUHHUSA-N 341.205 1.921 0 40 EDAB COC(=O)C[C@H](NC(=O)Cc1ccc(OC(F)F)cc1)C(=O)OC 72245353 DSWNNVGTPJMKQF-NSHDSACASA-N 345.298 1.051 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)COc2ccc(C(N)=O)cc2)no1 72299224 NZFVNFAUSHNWMA-CYBMUJFWSA-N 344.371 1.473 0 40 EDAB COc1ccccc1OCCNc1cc(N2CCC[C@@H]2CO)ncn1 72275989 IUYZRSDCLJWSJM-CQSZACIVSA-N 344.415 1.937 0 40 EDAB COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CCCOc1ccccc1F 72292921 VAXHDERCODPEGW-CQSZACIVSA-N 349.362 1.608 0 40 EDAB COc1c([C@H]2CCCN2C(=O)CN2CCCCCC2=O)c(C)nn1C 72234270 PNJDIKVXWSSASB-CQSZACIVSA-N 348.447 1.803 0 40 EDAB O=C(Cn1nc2n(c1=O)CCCCC2)NC1(c2ccccc2F)CC1 89813379 UUDPFFOTPJTLCJ-UHFFFAOYSA-N 344.390 1.716 0 40 EDAB Cn1cnc([C@H]2CN(C(=O)NCc3cccc(Cl)c3)C[C@@H]2N)c1 1553420646 YDUKFTPZLBOMOQ-KBPBESRZSA-N 333.823 1.710 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cccc(Br)c2)C1=O 408548374 HAQMJBRZGLABJO-UXBLZVDNSA-N 339.145 1.515 0 40 EDAB CCCc1ncc(C(=O)NCCNc2ncnc3c2cnn3C)s1 97002839 GTYZEKIHNOZJET-UHFFFAOYSA-N 345.432 1.614 0 40 EDAB CC(C)(C)c1csc(CN2CCC[C@@H](CNS(N)(=O)=O)C2)n1 84284741 HKMQWIVUIHQUSV-NSHDSACASA-N 346.522 1.446 0 40 EDAB CC(=O)N1CCCN([C@@H]2CN([C@@H](C)c3nc(C)no3)C[C@@H]2C)CC1 84281586 KAXNHSRYSPAUIA-HEHGZKQESA-N 335.452 1.314 0 40 EDAB Cc1[nH]c(=O)c(C(=O)N[C@@H](C)c2ncon2)cc1Br 97102523 ZHJSAJAXYUYIOR-LURJTMIESA-N 327.138 1.320 0 40 EDAB COc1ccc(-c2ccc(C(=O)NCc3cc(=O)[nH]cn3)o2)cc1 65399154 UWEWDJHCLNODKV-UHFFFAOYSA-N 325.324 1.969 0 40 EDAB Cn1cc(NC(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)cn1 84318637 XIGCSQWMBAPNOW-UHFFFAOYSA-N 344.762 1.836 0 40 EDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)C1=O 89914250 WZXUVDMZPNJBQG-ACJLOTCBSA-N 349.406 1.857 0 40 EDAB C[C@@H](Cc1ccccc1F)NC(=O)NC[C@](C)(O)c1cnn(C)c1 89904222 LAMXPCNIEMGXER-SJCJKPOMSA-N 334.395 1.697 0 40 EDAB COCCN(C(=O)C(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 95394156 RGCANPCELVEESD-CYBMUJFWSA-N 347.383 1.441 0 40 EDAB COC(=O)[C@@H](C)CN(C)C(=O)Nc1cccn(CC(F)(F)F)c1=O 95446557 GVYKQDVPKCJSLJ-VIFPVBQESA-N 349.309 1.683 0 40 EDAB Cc1ocnc1Cn1nnc([C@@H](NC(=O)c2ccccc2)C2CC2)n1 95442177 PLKVODQVFQJMBX-HNNXBMFYSA-N 338.371 1.899 0 40 EDAB CS(=O)(=O)NCCNCc1cc(Br)ccc1Cl 95425759 OXZLITAJMOVCEH-UHFFFAOYSA-N 341.658 1.741 0 40 EDAB CC(C)CCn1ncc(S(N)(=O)=O)c1I 408717862 YEYBXSRMRLHBJN-UHFFFAOYSA-N 343.190 1.181 0 40 EDAB CCS(=O)(=O)N(C)CCCN[C@@H]1CC[C@H]2SCCS[C@H]12 95984941 DCENJYICQVVBLB-JHJVBQTASA-N 338.564 1.627 0 40 EDAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnc2[nH]nnc2c1 95983437 YSEASEBLBQHWSB-UHFFFAOYSA-N 336.355 1.806 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ncn(Cc3cccnc3)n2)c(F)c1 78556708 JNVGOLNCKYJXET-UHFFFAOYSA-N 347.375 1.970 0 40 EDAB CN(C)c1ncccc1CNC(=O)N[C@@H]1CCN(C2CCCC2)C1 78604783 GWNZZYRONHYXNQ-OAHLLOKOSA-N 331.464 1.964 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)n1 75092439 QBTWFQCQYOYZLA-QMTHXVAHSA-N 348.369 1.845 0 40 EDAB C[C@H](NC(=O)CN1CCN(C2=NC[C@@H](C)S2)CC1)c1ccco1 79497528 YIEJRIRURIZMMG-OLZOCXBDSA-N 336.461 1.566 0 40 EDAB O=C(O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2 306143336 XZPHFTRYCIRIJE-UHFFFAOYSA-N 333.369 1.485 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2F)C1 78602807 BLEUWYZYOCRCAU-GFCCVEGCSA-N 341.358 1.130 0 40 EDAB CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccnn1 529519997 XFPOCFHGRWTADK-IAQYHMDHSA-N 328.376 1.004 0 40 EDAB NCC(=O)N(Cc1ccccc1I)C1CC1 79420862 CDGGNTPGDKDPHS-UHFFFAOYSA-N 330.169 1.741 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c1 73829123 MLHOYIJCDRWHCR-ZIAGYGMSSA-N 347.440 1.828 0 40 EDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](O)Cc1ccccc1 70639383 DWXUAFXSTOVTOP-MRXNPFEDSA-N 330.359 1.162 0 40 EDAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)NC[C@H]1CCCO1 73387868 BYZQQNRDDLGHRJ-QGZVFWFLSA-N 330.428 1.877 0 40 EDAB O=C(Nc1n[nH]c(Cc2ccc(F)cc2)n1)c1ccc2nnnn2c1 79496619 YIHUMTMITUIYME-UHFFFAOYSA-N 338.306 1.225 0 40 EDAB CCOC(=O)Cn1cc(/C=C2\NC(=S)N(C)C2=O)c2ccccc21 39556699 WTMUMYKNSFZRKY-JYRVWZFOSA-N 343.408 1.892 0 40 EDAB O=C1NC[C@@]2(CCCN(C(=O)c3[nH]cnc3-c3ccccc3)C2)O1 72168033 ATRHNCZQUMJHCR-QGZVFWFLSA-N 326.356 1.791 0 40 EDAB Cn1cccc1[C@@H]1CCCN1C(=O)CNC(=O)OCC(F)(F)F 79355393 AHHQSLHAYIRJQG-NSHDSACASA-N 333.310 1.977 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCc3ccccc32)C1=O 44890837 RDKUGFNSRYZBSJ-RDTXWAMCSA-N 327.384 1.511 0 40 EDAB COc1ccccc1NC(=O)c1nn(C)c2c1CS(=O)(=O)CC2 41070470 SGCJPCVSLMLGGD-UHFFFAOYSA-N 335.385 1.152 0 40 EDAB COc1ccccc1C1=NO[C@](C)(C(=O)NCCC(=O)N(C)C)C1 223298060 SUGXQFWKNXYOJL-KRWDZBQOSA-N 333.388 1.173 0 40 EDAB COc1cccc(COCCNC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)c1 225653676 QAJTVXJRJBLCPL-WFASDCNBSA-N 335.404 1.036 0 40 EDAB O=C(CN1CCN(C(=O)Nc2nccs2)CC1)Nc1ccccc1 42757847 VBYAXSJXFQBASO-UHFFFAOYSA-N 345.428 1.931 0 40 EDAB COc1ccc(CNC(=O)CN2[C@H]3CCC[C@H]2CC(=O)NC3)cc1 138776637 ZYIZYPSKGPBHPF-GJZGRUSLSA-N 331.416 1.054 0 40 EDAB Cc1ccccc1OCC(=O)NCc1nc(-c2ccc[nH]c2=O)no1 225803707 GNCPAGIUKOIFIZ-UHFFFAOYSA-N 340.339 1.429 0 40 EDAB Cc1ccc(O)c(CNC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)n1 570645981 LWLOKXMANATVMY-BLLLJJGKSA-N 329.404 1.138 0 40 EDAB COc1ccc(CC(=O)N2C(=O)CN(C)C(=O)c3ccccc32)cc1 40385881 GKROJDOZDRWSFX-UHFFFAOYSA-N 338.363 1.883 0 40 EDAB O=C(Nc1ccon1)c1nnn(-c2ccc(Br)cc2)n1 75163771 ICAFBUJPWXZVAB-UHFFFAOYSA-N 335.121 1.665 0 40 EDAB c1cnc(-c2noc(-c3nc(-c4ccc5c(c4)OCO5)no3)n2)cn1 98212351 CDUCWSVYVMHCRQ-UHFFFAOYSA-N 336.267 1.972 0 40 EDAB CCN1CCN(C(=O)[C@@]2(C)CC(c3ccc(OC)cc3)=NO2)CC1 96192809 HOSOETZRCNBZSM-GOSISDBHSA-N 331.416 1.742 0 40 EDAB Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)[C@@H]1CCC[C@@H](N)C1 582526803 ILGQOTUWQFVLAU-RBSFLKMASA-N 336.505 1.907 0 40 EDAB O=C(NCCc1cn2c(n1)CCCC2)NCC[C@@H](O)C(F)(F)F 96413278 LXIBNUBWFIXPAH-LLVKDONJSA-N 334.342 1.374 0 40 EDAB Cc1nc(NC[C@@H]2CS(=O)(=O)c3ccccc32)cc2nncn12 582653000 OESKYJNZQRWUCP-LLVKDONJSA-N 329.385 1.416 0 40 EDAB c1cc(CN2CCO[C@@]3(CCCN(c4nncs4)C3)C2)ccn1 96226627 DICKWILIPLBOOQ-INIZCTEOSA-N 331.445 1.805 0 40 EDAB COc1cccc(CC(=O)N2Cc3ncn(C)c3[C@@H](C(=O)O)C2)c1 96067822 LWHQBJLJKHQTFF-ZDUSSCGKSA-N 329.356 1.182 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@]2(CCCN(c3ncccn3)C2)C1 96223415 MXHPKMQAXHPQKN-RHSMWYFYSA-N 326.404 1.531 0 40 EDAB Cc1cnc(CNC(=O)c2nc(-c3cn(C)cn3)n3ccccc23)cn1 96266845 NNRHQRNLGZTMBY-UHFFFAOYSA-N 347.382 1.763 0 40 EDAB COc1c(C(=O)N2CCN(C)CC2)nnn1Cc1ccccc1Cl 96183591 WFQYPXCISNKUSY-UHFFFAOYSA-N 349.822 1.376 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 96430607 ZEMZDSFHGHQVCX-QWHCGFSZSA-N 325.376 1.303 0 40 EDAB CCN1CCn2c(C)cnc2C12CCN(Cc1cnn(C)c1)CC2 96037055 OBGMKVLLPPHXCS-UHFFFAOYSA-N 328.464 1.752 0 40 EDAB O=C(N1CCC(CNc2ncnc3[nH]ncc23)CC1)C(F)(F)F 96461072 WPQFCLPGNPOVQD-UHFFFAOYSA-N 328.298 1.566 0 40 EDAB CCS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 96040462 MVHJXLPGCHERAC-GDBMZVCRSA-N 340.445 1.681 0 40 EDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 96454872 KDLFRIMYFZOYHZ-SSDOTTSWSA-N 340.232 1.475 0 40 EDAB COC1([C@@H](C)NC(=O)N2CCCN(C(=O)C(C)C)CC2)CCC1 580415519 PXLADHSEURYZAF-CQSZACIVSA-N 325.453 1.844 0 40 EDAB Cc1noc([C@H]2CN(C(=O)Cn3cccn3)C[C@H]2c2ccccc2)n1 245174461 YNFUEBHRZWFAIO-HOTGVXAUSA-N 337.383 1.984 0 40 EDAB Cc1ccc(CN2CC3(C2)OCC[C@H]3CCNS(C)(=O)=O)o1 248133095 ZKPGQFJKWIIKCA-CYBMUJFWSA-N 328.434 1.118 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 248020633 RGXDJDQJVJZTNK-INIZCTEOSA-N 347.459 1.810 0 40 EDAB Cn1cc(C(=O)N2CC3(C2)OCC[C@H]3CCOc2ccccn2)cn1 248121750 KJANAWUITWWZHJ-OAHLLOKOSA-N 342.399 1.515 0 40 EDAB COCCN(C)c1cnn([C@@H]2CCCN(Cc3ccco3)C2)c(=O)c1 583618200 KROQKMURPOQOBZ-OAHLLOKOSA-N 346.431 1.756 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)CCn2ccnn2)cc1 583616131 MIHUDYYNGXNGCJ-SJLPKXTDSA-N 344.415 1.576 0 40 EDAB C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1S(=O)(=O)c1ccccc1 583616329 VHLKHOPKAWQGLI-XHSDSOJGSA-N 325.430 1.627 0 40 EDAB COc1cc(Cl)ccc1C(=O)N1CCC[C@](O)(c2cnn[nH]2)C1 583617779 QZWKPFAFZPVTPD-OAHLLOKOSA-N 336.779 1.591 0 40 EDAB Cc1noc([C@@H]2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)n1 583616581 NUGVLJHJZINLQS-SECBINFHSA-N 345.812 1.252 0 40 EDAB Cn1cccc1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257256325 KKZJOCTZRZNTSN-OAHLLOKOSA-N 327.375 1.333 0 40 EDAB CNc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(C)s3)C2)ncn1 257228354 FTMRLSFRNDMRMP-MRXNPFEDSA-N 347.444 1.259 0 40 EDAB CN1CCC[C@H]1CCNC(=O)c1ccccc1-n1cnc(CN)c1 257308120 TVMDDPWSUADSDC-HNNXBMFYSA-N 327.432 1.545 0 40 EDAB CC(=O)N1CCN(S(C)(=O)=O)[C@@H](c2ccc(OC(C)C)cc2)C1 257238433 HKZDMOKVBFAANL-MRXNPFEDSA-N 340.445 1.639 0 40 EDAB CC(C)N1CCC[C@](CCCc2ccccn2)(C(=O)NCC(N)=O)C1 257222253 DSONDUCLGJANCE-IBGZPJMESA-N 346.475 1.496 0 40 EDAB O=C(N[C@@H]1CC[C@H](N2CCN3C(=O)CC[C@H]3C2)C1)c1cccc(F)c1 585079707 USDQGXCYBJNULF-IKGGRYGDSA-N 345.418 1.783 0 40 EDAB Cn1cc(Br)c(NC(=O)NCCNc2ccccn2)n1 585140944 NFJSSMBRSYZSRF-UHFFFAOYSA-N 339.197 1.811 0 40 EDAB O=S(=O)(C[C@H](O)CC(F)(F)F)c1ccc2c(c1)OCCO2 585136507 IRPDMVFYUGCBOR-MRVPVSSYSA-N 326.292 1.545 0 40 EDAB Cc1cncc(CN2CC[C@H](n3cc(C)c(O)nc3=O)[C@@](C)(O)C2)c1 257214558 CMLKIGFHXILSAL-YJBOKZPZSA-N 344.415 1.159 0 40 EDAB O=C1COc2cccc(C(=O)N3CCC([C@H]4CCOC4)CC3)c2N1 585120945 YXKYPUYFOHFSPP-ZDUSSCGKSA-N 330.384 1.906 0 40 EDAB c1csc(CN2CCOC[C@@]3(CC[C@@H](CN4CCCC4)O3)C2)n1 253596221 ORABJWNJSQSFJK-DOTOQJQBSA-N 337.489 1.989 0 40 EDAB Cn1cncc1-c1nccnc1[C@@H]1CCCN(C(=O)c2cnccn2)C1 257202773 ANKFZJYAEFIEPS-CYBMUJFWSA-N 349.398 1.687 0 40 EDAB Cc1cc(-c2cc(C)nc([C@@H]3CCCCN3S(C)(=O)=O)n2)[nH]n1 257251665 JRQGHEADBZGGGE-AWEZNQCLSA-N 335.433 1.970 0 40 EDAB CCc1cc(C(=O)N2CCC[C@@H]2c2nccc(CNC(C)=O)n2)no1 257301146 RXDPPAJKTLXFJQ-OAHLLOKOSA-N 343.387 1.640 0 40 EDAB COc1ncnc(N(C)C)c1NC(=O)NCc1ccc(C(=O)O)cc1 263070468 PXCVPOABMMXVND-UHFFFAOYSA-N 345.359 1.571 0 40 EDAB CS(=O)(=O)N(CCC1CCCC1)Cc1nnc2n1CCOCC2 1615548847 FUMPOKMEKWHTLC-UHFFFAOYSA-N 342.465 1.193 0 40 EDAB O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1ccc(Cl)cn1)N1CCCC1 1615550513 VADYIEKXCOQEDL-KKUMJFAQSA-N 349.818 1.729 0 40 EDAB COC(=O)[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C)Cc2ccccc21 599504794 QRSTXPZWIJTLPA-DOMZBBRYSA-N 338.429 1.488 0 40 EDAB Cn1cccc(C(=O)N2CC[C@H](Oc3ncc(Cl)cn3)C2)c1=O 575413912 PZQXKQBPYPMELL-NSHDSACASA-N 334.763 1.122 0 40 EDAB O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCCCC2)C1 585283374 NWRMJLHHARUIFF-AZUAARDMSA-N 346.471 1.429 0 40 EDAB CNC(=O)[C@@H]1COC2(CN(Cc3ccsc3)C2)CN1CC1CC1 585109215 DAPJTLQTEXHCID-HNNXBMFYSA-N 335.473 1.159 0 40 EDAB CCOC[C@@H]1Cc2c(ncn2C)CN1C(=O)COc1ccc(F)cc1 585094975 XWBRSYZYAWXZED-AWEZNQCLSA-N 347.390 1.928 0 40 EDAB CC(C)C(=O)NC[C@H]1CCn2nccc2CN1Cc1ccccn1 585097126 HQGYPPOSGDVQFH-MRXNPFEDSA-N 327.432 1.825 0 40 EDAB COC(=O)[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C)Cc2ccccc21 599504795 QRSTXPZWIJTLPA-IUODEOHRSA-N 338.429 1.488 0 40 EDAB COc1ccc(-c2nnc(CN(C)CC(=O)N3CCCC3)o2)cc1 44891772 NOYMKVIPEONSMT-UHFFFAOYSA-N 330.388 1.799 0 40 EDAB CC[C@H]1CCCN(CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)C1 44917944 HTCRLTBCRCBXAR-XJKSGUPXSA-N 331.416 1.388 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)N(C)Cc2ccncc2)cc1 44968304 GUNPRGVSGODUOT-UHFFFAOYSA-N 348.428 1.331 0 40 EDAB Cc1ccccc1OC[C@@H](O)CN1CCC(CN2CCOCC2)CC1 51958339 BQHJJKTYPJOMRZ-IBGZPJMESA-N 348.487 1.779 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)NCCN(C)[C@@H](C)CC 66136928 RQIYSITZYRUJJT-AWEZNQCLSA-N 335.448 1.662 0 40 EDAB Cc1nnc2ccc(N3CC(N(C)C(=O)CCC(F)(F)F)C3)nn12 1565522752 ZNBKHPIVNTYBKF-UHFFFAOYSA-N 342.325 1.422 0 40 EDAB O=C1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CN1C1CC1 75161566 SNFDSHYPEQKGHC-SNVBAGLBSA-N 348.346 1.747 0 40 EDAB Cc1cc2c(cc1C)O[C@H](C(=O)NCCc1nnc3n1CCCC3)C2 96012134 CJKDRTQNEKXKES-INIZCTEOSA-N 340.427 1.894 0 40 EDAB Cc1nc(C)c(C(=O)N(C)C2CN(c3cc4c(nn3)CCC4)C2)s1 585590619 UKBWVARBWRIYKP-UHFFFAOYSA-N 343.456 1.999 0 40 EDAB C[C@H]1[C@@H](C)N(C(=O)c2ccncc2Br)CCS1(=O)=O 95418501 PENXRHMWHBPOQO-BDAKNGLRSA-N 347.234 1.492 0 40 EDAB O=c1/c(=C/c2cccs2)sc2n1CN(c1ccc(F)cc1)CN=2 521872 ZBHQPAMNURLUAO-ZSOIEALJSA-N 345.424 1.994 0 40 EDAB CN(C(=O)COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1ccccc1 5877145 YQVQJLWWULOXJQ-SUMWQHHRSA-N 348.424 1.647 0 40 EDAB C[C@H](Sc1nnc(-c2ccco2)n1N)C(=O)NC[C@H]1CCCO1 11669744 WZKMTNPCMJUFTI-VHSXEESVSA-N 337.405 1.028 0 40 EDAB CCc1nn(CC(=O)N2CCCC2)c(=O)c2cc3ccsc3n12 12114259 OVINJBWUSDVRMC-UHFFFAOYSA-N 330.413 1.896 0 40 EDAB Cc1cc(C)cc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)c1 13116784 NDMAEUIDKBBBPL-UHFFFAOYSA-N 329.385 1.994 0 40 EDAB CC[C@]1(C)Cc2c(sc3[nH]c(SCC(N)=O)nc(=O)c23)CO1 18191191 XOFQFFXXSLHBPU-CQSZACIVSA-N 339.442 1.803 0 40 EDAB C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc2c(c1)CCCO2 19458886 SHRVJFCKNWCGNQ-NSHDSACASA-N 345.399 1.519 0 40 EDAB CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(C)=O)C2 19501403 HPRBYXMXKQRZDY-HNNXBMFYSA-N 346.431 1.528 0 40 EDAB Cc1nc([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)ncc1C(N)=O 19758169 ARGLKLNIEZZLFK-CYBMUJFWSA-N 342.374 1.582 0 40 EDAB O=C(Nc1ccnc2ccnn12)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 108714753 CBPZFQGUMOOHBX-STQMWFEESA-N 343.387 1.228 0 40 EDAB COCc1nsc(N2CC(Cn3cc(Br)cn3)C2)n1 1889089488 KMXVRQQBMXJIES-UHFFFAOYSA-N 344.238 1.780 0 40 EDAB C[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1CNc1ncccn1 1039870943 MSJJGNHXSFEWIX-YPMHNXCESA-N 342.403 1.114 0 40 EDAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CC[C@H](n2nccn2)C1 244986026 JCOGTSBWGDYADX-AWEZNQCLSA-N 344.400 1.100 0 40 EDAB COc1ccc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)cc1OC 2037983639 BBODJJOZISMCIM-IBGZPJMESA-N 348.443 1.917 0 40 EDAB Cc1ccc(N2CCC[C@@]3(CN(C(=O)C4(F)CCC4)CCO3)C2)nn1 1614930300 YXWPHIFYTPNPOM-KRWDZBQOSA-N 348.422 1.875 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 1251071297 IECQXSBGKFRFSZ-DLBZAZTESA-N 338.473 1.905 0 40 EDAB Cn1nc(N2CCN(c3cc(C4CCC4)ncn3)CC2)ccc1=O 2086861260 BEMAWVQEYLCAFK-UHFFFAOYSA-N 326.404 1.164 0 40 EDAB COCCN1C(=O)CCC12CCN(C(=O)C1CC(F)(F)C1)CC2 1565550452 AWXCNFOLTVIWQG-UHFFFAOYSA-N 330.375 1.662 0 40 EDAB CC(C)NC(=O)[C@@H]1CCC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1 1565550227 UZODDWGKFDTSMD-WCVJEAGWSA-N 334.460 1.812 0 40 EDAB O=C(c1ncc(Cl)cn1)N1CCc2ncnc(NC3CC3)c2CC1 1565555590 KODFKNJFAORUFZ-UHFFFAOYSA-N 344.806 1.735 0 40 EDAB O=C1CC2(CCN(C(=O)c3cc[nH]n3)CC2)CN1Cc1cccnc1 1565544399 GRDVYPMMTCJQPV-UHFFFAOYSA-N 339.399 1.460 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)CN(C(=O)c1cccs1)CCO2 1565542312 JZAQWACHJUVFBR-UHFFFAOYSA-N 344.458 1.015 0 40 EDAB CCOC(=O)CCC(=O)NC[C@@H]1CN(c2ccc(F)cc2)C(=O)O1 9069932 HDWKNMPBUYNNSS-CYBMUJFWSA-N 338.335 1.610 0 40 EDAB CCc1nccn1CC1CN(C(=O)[C@@H]2COc3ccccc3O2)C1 1849414039 BHQWYJZDGDIROW-INIZCTEOSA-N 327.384 1.744 0 40 EDAB Cc1cnc(C(=O)N[C@H]2CCc3onc(C(=O)NC(C)C)c3C2)cn1 2055739449 YUWRSZHIHVUBQO-NSHDSACASA-N 343.387 1.199 0 40 EDAB Cn1c(-c2ccccn2)nn(CC(=O)Nc2cc(F)ccc2F)c1=O 206640362 PWWHSHOLJRASSO-UHFFFAOYSA-N 345.309 1.561 0 40 EDAB COc1cccc(S(=O)(=O)Nc2cnc(OC)nc2N(C)C)c1 206729964 DRUONUSMZWNCDE-UHFFFAOYSA-N 338.389 1.361 0 40 EDAB Cc1cc2ncc(NC(=O)CCS(=O)(=O)c3ccccc3)cn2n1 206738237 XTRUTZIRSZERLL-UHFFFAOYSA-N 344.396 1.840 0 40 EDAB CN(C)CCN(C(=O)Nc1ccc2c(c1)OCO2)C1CCOCC1 207958148 NSKUQMSTKFSYHN-UHFFFAOYSA-N 335.404 1.990 0 40 EDAB O=C(NCc1ccccn1)[C@H]1CCCN(c2cc3c(nn2)CCC3)C1 618257041 PQCLOVXNXYIHNI-HNNXBMFYSA-N 337.427 1.893 0 40 EDAB CCS(=O)(=O)NCCn1nc(-n2ccc3ccccc32)ccc1=O 618254659 CEHDEDAGMWQLDA-UHFFFAOYSA-N 346.412 1.127 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1cc(C)ccc1OC 16842591 GGWNRGADRFOZGT-UHFFFAOYSA-N 339.373 1.704 0 40 EDAB O=C(Nc1ccc(Cn2cccn2)cc1)N1CCN(C2CC2)C(=O)C1 96452193 PYOXEOPSFANVGM-UHFFFAOYSA-N 339.399 1.770 0 40 EDAB NC(=O)[C@H]1CC(C(=O)NCCc2ccsc2)=NN1c1ccccc1 40074343 VUCQFDZPUYYDBM-OAHLLOKOSA-N 342.424 1.527 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NC2CCC(C)CC2)on1 40106143 YYTZTTDUTNHOFN-YXMLORGKSA-N 328.434 1.981 0 40 EDAB NC(=O)COc1cccc(C(=O)N2CCC[C@H](n3cccn3)C2)c1 69421384 NIGRAHARUNIOHV-AWEZNQCLSA-N 328.372 1.225 0 40 EDAB O=C([C@@H]1CSCN1S(=O)(=O)N1CCCCCC1)N1CCCC1 69417000 AZLGHLNOODRCGK-ZDUSSCGKSA-N 347.506 1.105 0 40 EDAB COCCN1CCN(CCOc2ccc3c(c2)CCC(=O)N3)C[C@H]1C 70008471 UNOIVYNNPLWDMC-OAHLLOKOSA-N 347.459 1.603 0 40 EDAB Cc1ccc(O)c(C(=O)N2CCN(C[C@H]3CCCCN3C)CC2)c1 70040107 FIYPMZJDDLBWKC-MRXNPFEDSA-N 331.460 1.943 0 40 EDAB CCn1c(N)c(C(=O)CN2CCc3sccc3[C@H]2C)c(=O)[nH]c1=O 40466354 NOHZSLIQCBSXEX-SECBINFHSA-N 348.428 1.002 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccc(F)cc1 40488746 KVJIKJLQSPSEOF-INIZCTEOSA-N 348.399 1.568 0 40 EDAB CCCn1nnnc1CN1CCN(C(=O)/C=C/c2cccs2)CC1 40528282 UUFZHDZBELOHHF-AATRIKPKSA-N 346.460 1.502 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)cn1 28913814 BWGUIASQNOUHIU-RUDMXATFSA-N 334.353 1.989 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)C1CCN(c2ncccn2)CC1 40548537 ZKKVRRZUCRUSDZ-INIZCTEOSA-N 338.411 1.813 0 40 EDAB CS(=O)(=O)NCc1nnc(SCC(=O)c2ccc(F)cc2)o1 4968449 SGXFJXIOVJZZTN-UHFFFAOYSA-N 345.377 1.233 0 40 EDAB COc1cc(Cl)c(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OC 4998008 GVFABUQNIHNAGX-YCRREMRBSA-N 340.719 1.335 0 40 EDAB O=C(NC[C@H]1COc2ccccc2O1)c1n[nH]c(=O)c2ccccc12 211507 PILPRNXXXWQIFK-NSHDSACASA-N 337.335 1.493 0 40 EDAB CCCCCn1nc(C(=O)OCC(=O)N(C)C)c2ccccc2c1=O 7246668 RSXNLJFEVSCQPC-UHFFFAOYSA-N 345.399 1.832 0 40 EDAB CCOCC(=O)NCCCNC(=O)c1cccc(Br)c1 69369961 MBWTXFRBQSVCOK-UHFFFAOYSA-N 343.221 1.722 0 40 EDAB Cc1noc([C@@H]2CCCN(c3ncnc(-n4cccn4)c3N)C2)n1 91455049 AYOFTZQTBOQYQC-LLVKDONJSA-N 326.364 1.320 0 40 EDAB Cc1ccoc1C(=O)NCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101572381 KTRTZLGTEMZCJT-XDQVBPFNSA-N 328.368 1.515 0 40 EDAB COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 311448 NSQLZJIOMLUHAB-UHFFFAOYSA-N 348.380 1.772 0 40 EDAB Cc1ccccc1OCCn1c(S(=O)(=O)O)nc2c(N)ncnc21 2503394 YRRPTDXRQIIGPP-UHFFFAOYSA-N 349.372 1.043 0 40 EDAB Cc1ncc(CN(C)CC(=O)N2CCN(c3ccccn3)CC2)s1 52100850 BUFOAKORJDEOAS-UHFFFAOYSA-N 345.472 1.627 0 40 EDAB CCSc1nnc(NC(=O)[C@H](CCSC)NC(N)=O)s1 8734888 JMQWXEQXOPTCJO-LURJTMIESA-N 335.480 1.379 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN1CCC[C@@H](C(N)=O)C1 29596755 JOEGMGYWVHZUDO-CQSZACIVSA-N 331.416 1.172 0 40 EDAB Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](C)c1nnc2ccccn12 32836104 UABCOEMIYZCCRC-SNVBAGLBSA-N 326.360 1.140 0 40 EDAB CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[C@H]4CCCO4)C(=O)[C@H]13)O2 490207 VJZIHLZSWKYKRS-ZURLZEQWSA-N 335.400 1.147 0 40 EDAB biogenic O=C(Cn1ccccc1=O)N1CCC[C@H]1c1nnc2n1CCCCC2 46335261 PSJVCKVLCBQIBS-AWEZNQCLSA-N 341.415 1.530 0 40 EDAB O=C(NCC[C@@H]1CCCO1)N1CCN(C(=O)c2cccc(O)c2)CC1 69491787 BPFXBOAEQZPZFU-INIZCTEOSA-N 347.415 1.429 0 40 EDAB O=C(Cn1ccccc1=O)N1CCCN(Cc2cccs2)CC1 32914660 IAIJFSFEXHHPEI-UHFFFAOYSA-N 331.441 1.644 0 40 EDAB Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(=O)n(C)n1 32936192 BYKUFRBNLFXWNN-LBPRGKRZSA-N 329.356 1.581 0 40 EDAB COc1ccc(S(=O)(=O)Oc2ccc(-n3cnnn3)cc2)cc1 21821542 GSAQVTQGGXBQSG-UHFFFAOYSA-N 332.341 1.439 0 40 EDAB C[C@H]1CN(c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 537113 ZXUJIHWFKRUQDF-NSHDSACASA-N 325.372 1.222 0 40 EDAB O=C(Cc1ccccc1)NCC(=O)OC[C@@H]1COc2ccccc2O1 22151332 WHGCAPZXQXYGOE-HNNXBMFYSA-N 341.363 1.729 0 40 EDAB COCCN1CC[C@H]2OCCC[C@@]2(COCC2CCOCC2)C1 107712139 WFMTUJDXUASOOA-MSOLQXFVSA-N 327.465 1.947 0 40 EDAB COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 22624366 OKUACHMQSBCIIQ-ZDUSSCGKSA-N 340.445 1.626 0 40 EDAB CCn1cc(NC(=O)c2cc(-c3ccccc3)on2)c(C(N)=O)n1 2795413 NCHUWNPJMREHRC-UHFFFAOYSA-N 325.328 1.909 0 40 EDAB CC[C@H]1CN(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)CCO1 46974623 LGUANQRANREZQP-YPMHNXCESA-N 333.388 1.899 0 40 EDAB COCCN1C[C@H](C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1=O 24773137 KNHUYFQFSPUGNJ-CYBMUJFWSA-N 345.403 1.446 0 40 EDAB Cc1nc2ccnn2c(C)c1CCC(=O)N1CCN(C(C)C)CC1 55247219 MIEVZKCHSXUEQX-UHFFFAOYSA-N 329.448 1.831 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 24995563 XGMJYVHAZGYTFR-KOLCDFICSA-N 344.337 1.325 0 40 EDAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cnccn1 25185516 NSMRGRXPADFGFA-UHFFFAOYSA-N 342.355 1.352 0 40 EDAB O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCO[C@H]2CCC[C@H]21 56194961 JNOLQNCHGDWGLO-CVEARBPZSA-N 343.358 1.765 0 40 EDAB Cn1ncc2c(=O)[nH]c(N[C@@H]3CCCN(c4ccccc4)C3=O)nc21 75138746 QPJHRPVWKVJVSJ-CYBMUJFWSA-N 338.371 1.264 0 40 EDAB Cc1nc2ccc(C(=O)NCC(=O)NCC(F)(F)F)cc2nc1C 57007820 CKUBVCBNHDURTP-UHFFFAOYSA-N 340.305 1.655 0 40 EDAB CC(C)CNC(=O)NC(=O)CN1CCN(c2ccccc2F)CC1 35307889 PLGVGQJYDHNJGO-UHFFFAOYSA-N 336.411 1.430 0 40 EDAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@]3(O)CCOC3)cc2)co1 178985379 OUMWLWQYUPMWCJ-HNNXBMFYSA-N 338.385 1.080 0 40 EDAB CN(C)Cc1cc(CC2(NCc3cccc4c3OCO4)COC2)no1 67897804 RELMDJNODAROPG-UHFFFAOYSA-N 345.399 1.566 0 40 EDAB biogenic,in-vitro Cc1nc2ccccc2n1CCNc1ccc(S(N)(=O)=O)cn1 24970620 FMSWGVIYGSSHJB-UHFFFAOYSA-N 331.401 1.499 0 40 EDAB COCCNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 113966813 DBCDFFNKKGUIDE-UHFFFAOYSA-N 342.461 1.612 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)c(=O)[nH]1 75120116 RRKJQTXPKXAKAM-UHFFFAOYSA-N 326.400 1.999 0 40 EDAB CCCc1noc(Cn2c(-c3ccc(OC)c(OC)c3)noc2=O)n1 58298075 HGSPOHDVIWACRS-UHFFFAOYSA-N 346.343 1.904 0 40 EDAB O=C1NCCCC[C@H]1NC(=O)N1CC=C(c2ccc(O)cc2)CC1 44968012 YQHBNQAZTATXBO-MRXNPFEDSA-N 329.400 1.860 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)N1CCN(c2nccs2)CC1 44971222 QBXQNBKITOMXKP-CYBMUJFWSA-N 346.460 1.786 0 40 EDAB COc1cccc(C(=O)NC2CCN(c3ncccn3)CC2)c1OC 44938973 WYZNDWBIWXAFTA-UHFFFAOYSA-N 342.399 1.893 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1OC 44935929 JFFUGFPZNDSQNW-LBPRGKRZSA-N 339.417 1.576 0 40 EDAB COc1ccccc1[C@@H](O)CNCc1cnc(N2CCCC2)nc1 58327169 KKFIHBFVUCRNRG-INIZCTEOSA-N 328.416 1.909 0 40 EDAB c1ccc(N2CCN(CCCNc3cncc4nnnn34)CC2)cc1 58314858 JRYPDUWTFDQMHL-UHFFFAOYSA-N 338.419 1.144 0 40 EDAB O=C(NO[C@@H]1CCCCO1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 58419870 XZYZSMOBXBCELJ-ZIAGYGMSSA-N 325.409 1.489 0 40 EDAB O=C(c1cncc(Br)c1)N1CCC2(CC1)OCCO2 28023523 GXKVWBIYQDYBGC-UHFFFAOYSA-N 327.178 1.823 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 28197809 ALPCTWHTCDYTSC-UHFFFAOYSA-N 345.399 1.510 0 40 EDAB COCCN1C[C@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1=O 45287186 KWXHYNUHQLUIGZ-TZMCWYRMSA-N 348.399 1.130 0 40 EDAB Cc1noc(C)c1C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 69559708 HDMITEWWTBTIPX-UHFFFAOYSA-N 346.391 1.538 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)CCCn1c(=O)oc2ccccc21 48260425 SVBYWXYODKPHCX-ZDUSSCGKSA-N 347.415 1.652 0 40 EDAB CCc1noc([C@H](C)N2CCN(CCCN3CCCC3=O)CC2)n1 69529240 NWACBBAFHWZQSK-AWEZNQCLSA-N 335.452 1.323 0 40 EDAB COC(=O)c1ccccc1NC(=O)Cn1cnc2ccsc2c1=O 12856294 VNUVKMOZDCTYFC-UHFFFAOYSA-N 343.364 1.883 0 40 EDAB COC(=O)c1ccc(C(=O)N[C@H]2CCCN(C(=O)OC)C2)s1 69559152 HXRYDBMZHACHPO-VIFPVBQESA-N 326.374 1.495 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)NCc2cc(F)ccc2F)cc1 3581209 KEGUALXMKQVDIO-UHFFFAOYSA-N 326.324 1.542 0 40 EDAB in-vivo CCn1cnnc1[C@H]1CCCN(c2ncnc(-n3cccn3)c2N)C1 91627125 YQKUKFWITXTDDG-LBPRGKRZSA-N 339.407 1.240 0 40 EDAB COCC(=O)N1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 49245128 QUKQGCDPBUZIHF-UHFFFAOYSA-N 332.734 1.549 0 40 EDAB CCCc1cc(N2CCCC[C@H]2Cn2cncn2)n2ncnc2n1 69615255 SSLZLXPIIWIQNX-AWEZNQCLSA-N 326.408 1.727 0 40 EDAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NC(C)C)cc1 4285360 DMSJIUFVOKXMKJ-UHFFFAOYSA-N 327.402 1.227 0 40 EDAB O=C(NC1CC1)c1nnc2n1CC[C@@H]1CN(Cc3cccs3)C[C@@H]21 306133883 MYNXUSTZKHWTMX-BXUZGUMPSA-N 343.456 1.851 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCc3nnc(C)n3C2)c2c(C)nn(C)c2n1 65466012 IWDSPVDTCWAEBR-LBPRGKRZSA-N 339.403 1.230 0 40 EDAB CCc1noc(C)c1C(=O)NCc1ccc(CS(N)(=O)=O)cc1 65479020 CLKIRCJORSJRJU-UHFFFAOYSA-N 337.401 1.264 0 40 EDAB COCCN1CCCN(C(=O)NCCc2cn3ccccc3n2)CC1 65444250 MEWRPLAQPQOGDM-UHFFFAOYSA-N 345.447 1.241 0 40 EDAB Cc1ccc(-c2csc(=O)n2Cc2cc(=O)n(C)c(=O)n2C)cc1 69844000 OIAIDTWKIRZTEX-UHFFFAOYSA-N 343.408 1.331 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)OC[C@H]1CCCCO1 65592113 OEZGKUISVWZMQU-UAGQMJEPSA-N 349.427 1.861 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNC[C@@H](Cc1ccccc1)N(C)C)CN2 65625656 DMLWECKLMSXPSS-ZWKOTPCHSA-N 327.476 1.996 0 40 EDAB Cn1nc(C(=O)Nc2cnn(-c3ccccc3Cl)c2)ccc1=O 69844843 YFRPJOYHBPXGAL-UHFFFAOYSA-N 329.747 1.872 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(N)=O 6884341 NBPCMECZNMJENY-OAHLLOKOSA-N 334.416 1.767 0 40 EDAB CSc1nn(CCN(C)C)c2nc3sc4c(c3c(=O)n12)CCC4 71282116 MXIQBONVXMENAY-UHFFFAOYSA-N 349.485 1.878 0 40 EDAB CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(C(C)=O)CC2)cc1 67284176 FOGMUKNVOGQDBD-UHFFFAOYSA-N 342.403 1.415 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)C3CC3)C2=O)cc1 7277805 SPQQWZHBXURROW-ADLMAVQZSA-N 345.399 1.377 0 40 EDAB Cc1ccc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C 67727727 AGIHGELDOGTPBC-UHFFFAOYSA-N 343.431 1.349 0 40 EDAB Cn1ccnc1SCC(=O)NCC(=O)Nc1ccc(F)c(F)c1 8068190 GVILHRNJVASRKE-UHFFFAOYSA-N 340.355 1.545 0 40 EDAB O=C(C1CCC1)N1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1 68913305 KEILULCXONUDEX-UHFFFAOYSA-N 340.420 1.600 0 40 EDAB CC1CCN(C[C@@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)CC1 71825026 CRYUGOGHSIUFBO-CXAGYDPISA-N 335.404 1.139 0 40 EDAB Cc1cc(C)n2cc(CN3CCN(Cc4nccn4C)CC3)nc2n1 71879131 XTYCJYMUQNVWPC-UHFFFAOYSA-N 339.447 1.397 0 40 EDAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 71824349 FZXNFTFUZSMDIB-BRWVUGGUSA-N 348.468 1.121 0 40 EDAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CC)cc1 60567584 VZJGNEVTCLSWPI-CQSZACIVSA-N 345.486 1.837 0 40 EDAB CCOC1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 71820699 OAUQZEQCDRMSLR-UHFFFAOYSA-N 333.363 1.563 0 40 EDAB CN(c1cccnn1)C1CCN(C(=O)CCCn2cccn2)CC1 71863511 HNRPSAUUDPCHIH-UHFFFAOYSA-N 328.420 1.581 0 40 EDAB CCc1nnc(CN2CCN(C[C@@H](O)c3ccccc3F)CC2)n1C 71864055 KXHPPGLLJHJDEU-MRXNPFEDSA-N 347.438 1.368 0 40 EDAB Cc1cc(C)nc(SCC(=O)N[C@@H](C)C(=O)N2CCCCC2)n1 71888369 QRPNKUTZLAOEFV-ZDUSSCGKSA-N 336.461 1.703 0 40 EDAB CC(C)c1ncc(Cl)c(C(=O)N2CCN(C[C@@H](C)O)CC2)n1 71871415 IOSWUALXDIIIQJ-LLVKDONJSA-N 326.828 1.392 0 40 EDAB O=S(=O)(N[C@H]1CCN(CC(F)(F)F)C1)c1ccc2cn[nH]c2c1 89808112 ZCMRGSSCGVOSOZ-JTQLQIEISA-N 348.350 1.478 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1 89887951 ALVXCBYOOAYLSB-ZDUSSCGKSA-N 341.433 1.197 0 40 EDAB CCOc1nnc(CN2CCC(N3CCN(C)C3=O)CC2)s1 75604247 CVLBWQPOGPORQJ-UHFFFAOYSA-N 325.438 1.269 0 40 EDAB CN1C[C@]2(CCN(Cc3nccn3Cc3ccccc3)C2)OC1=O 72142130 COTSWWHASFEQNT-SFHVURJKSA-N 326.400 1.958 0 40 EDAB CCC[C@@](C)(O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O 76019197 BUBRNAOFHSDDFN-PKOBYXMFSA-N 345.443 1.882 0 40 EDAB C[C@@]1([C@@H]2CCCN(CCCOc3ccc(F)cc3)C2)NC(=O)NC1=O 76059204 JLURQPHLYVBSLA-ACJLOTCBSA-N 349.406 1.905 0 40 EDAB CN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3nc4ccccc4o3)C2)C1=O 76058969 QXYGNYBNVLKSJN-SGTLLEGYSA-N 342.399 1.980 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccccc1N1CCOCC1)C2 72279080 NLJNEJJNRMPRRD-OAHLLOKOSA-N 340.427 1.773 0 40 EDAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN4CCC[C@@H]4C3)cc21 72286235 CTRSCHZRMQTLHQ-OAHLLOKOSA-N 349.456 1.064 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CC(=O)N1CCNC1=O 72253611 JFUDYYUJILGJDD-JTQLQIEISA-N 325.800 1.071 0 40 EDAB Cc1cc(NC(=O)C(=O)N[C@H](C)CCc2cccc(F)c2)n(C)n1 77768478 LJASMCZVXFPRRK-LLVKDONJSA-N 332.379 1.944 0 40 EDAB O=C(c1nc(Cl)ccc1Cl)N1CCC[C@H](c2nnn[nH]2)C1 84425338 GCTPUPWQECZSLI-ZETCQYMHSA-N 327.175 1.921 0 40 EDAB CCOC(=O)c1cnn(CCN2CCC(c3noc(C)n3)CC2)c1N 95395033 GKJSLLGWGBRKGQ-UHFFFAOYSA-N 348.407 1.213 0 40 EDAB CCc1nn(C)c(CC)c1CNC(=O)NCCc1cnn(C)c1C 95437709 DQAFPNVPLZXSRT-UHFFFAOYSA-N 332.452 1.629 0 40 EDAB Cc1cnn(Cc2cc(C(=O)NCCc3csc(C)n3)no2)c1 95439315 CQLUEPXWFFMODI-UHFFFAOYSA-N 331.401 1.965 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 95431387 FNSNWQAXESCPNP-ZDUSSCGKSA-N 337.470 1.934 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC[C@H](CC(N)=O)C1 95405953 XKFFVGPFVJMMRJ-SMDDNHRTSA-N 335.452 1.265 0 40 EDAB COc1c(Cl)cc(C(=O)N2CCOC[C@H]2C(=O)O)cc1Cl 88374781 ZEZAINKYPFYVGJ-JTQLQIEISA-N 334.155 1.928 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCN(CCc2ccc(F)c(F)c2)CC1 95980405 PULSAHDMNKEYQG-UHFFFAOYSA-N 347.365 1.654 0 40 EDAB Cn1nccc1C(=O)NC[C@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12 306126291 DRSXUXDPCOCTEW-JGGQBBKZSA-N 346.456 1.358 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)no1 306135157 OJMRJYIUDWHNBN-LSDHHAIUSA-N 326.356 1.394 0 40 EDAB Cn1cc(S(=O)(=O)NCCN2CCC[C@@H]2c2cccs2)cn1 75590898 NLAKPPQOLLVQJR-CYBMUJFWSA-N 340.474 1.597 0 40 EDAB COc1cc2nc(NN)n(Cc3cccs3)c(=O)c2cc1OC 408712680 HHKIZZYTWPQYNO-UHFFFAOYSA-N 332.385 1.809 0 40 EDAB CCOC(=O)c1cc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)[nH]c1C 556145773 QRVXZVPCGKDUFR-JSGCOSHPSA-N 342.461 1.945 0 40 EDAB CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCn2ccnc2C1 547983136 FFYIACBFVYIXSY-CYBMUJFWSA-N 347.440 1.594 0 40 EDAB Cc1n[nH]cc1CNC(=O)NC[C@H]1CN(C)C[C@@H]1c1ccccc1 1551215008 DVTAMZMGMKLJGR-DLBZAZTESA-N 327.432 1.863 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(C(=O)c2cccs2)CC1 35413814 BWQRVNOSVQXGTH-UHFFFAOYSA-N 347.444 1.485 0 40 EDAB CC1(C)OC(=O)C(=C2NC(=O)N(Cc3ccccc3)S2)C(=O)O1 3844526 RYELDZYKJDNHCF-UHFFFAOYSA-N 334.353 1.908 0 40 EDAB biogenic CCOC(=O)C1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 32610894 CBDLUBPZOQUAON-UHFFFAOYSA-N 343.387 1.007 0 40 EDAB Cc1nc(CCC(=O)NCc2ccncc2)cc([C@@H]2CCCN2)n1 72366930 XWHYKFBPODQRIC-INIZCTEOSA-N 325.416 1.854 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)C2 75572998 SYLDIPOAWKSIAW-HNNXBMFYSA-N 347.440 1.481 0 40 EDAB CSCCc1ccc(NC(=O)NC[C@@H]2CN(C)CCN2C)cc1 77442523 VQRMIMUBZRGYQD-MRXNPFEDSA-N 336.505 1.959 0 40 EDAB C[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N1CCOCC1 35313024 CPTHQMITSPQHSW-SNVBAGLBSA-N 343.412 1.846 0 40 EDAB CC(C)S(=O)(=O)NC1=NCN(Cc2ccccc2Cl)CN1 40387342 MKUBYTYYZHLWNZ-UHFFFAOYSA-N 330.841 1.344 0 40 EDAB COCc1cccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)c1 225188513 CCLLSOGJAXCQGY-UHFFFAOYSA-N 342.402 1.444 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 225199669 QGROLBVRFXBUGF-CYBMUJFWSA-N 327.450 1.460 0 40 EDAB Cc1ccc(-c2nnn(CC(=O)NC[C@](C)(O)c3ccco3)n2)cc1 81836127 FYCGNYLKBXIYGT-KRWDZBQOSA-N 341.371 1.265 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1 41208874 IBXYOQOCMUFAKJ-UHFFFAOYSA-N 340.449 1.050 0 40 EDAB CC(C)[C@@]1(CO)CCCN(C(=O)c2ccc(-n3ccnc3)nn2)C1 569562873 IOLLYBSZHKCWPO-KRWDZBQOSA-N 329.404 1.533 0 40 EDAB O=c1c2c(-c3cccc(Cl)c3)n3ncnc3nc2ccn1CCO 40397971 UMEGSQJINWXMMV-UHFFFAOYSA-N 341.758 1.752 0 40 EDAB CC(C)N(C)S(=O)(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 44944674 FQCLWQDRFNCQGE-ZDUSSCGKSA-N 337.449 1.845 0 40 EDAB O=C(O)CCc1cnc(COc2cccc3cccnc23)[nH]c1=O 223443821 WPBCTVMTKRMKPA-UHFFFAOYSA-N 325.324 1.914 0 40 EDAB Cc1cc(C(=O)NCCN2Cc3cc(F)ccc3OCC2=O)[nH]n1 225771232 AHSJLARODWYIDN-UHFFFAOYSA-N 332.335 1.008 0 40 EDAB O=C1CC[C@H](N=c2nc(C3CCCC3)[nH]s2)[C@@H]([C@@H]2CCCO2)N1 572591704 OGIKIWVGFJDQPH-OBJOEFQTSA-N 336.461 1.856 0 40 EDAB CCN1CCN(C(=O)c2ccc(=O)n(-c3ccc(OC)cc3)c2)CC1 96192133 OPWZVPLVHAONFZ-UHFFFAOYSA-N 341.411 1.624 0 40 EDAB C[C@H]1CN(C(=O)COCc2nc(-c3cccnc3)no2)C[C@H](C)O1 96182096 HVJGWGLQAYFRJJ-RYUDHWBXSA-N 332.360 1.284 0 40 EDAB CCOC(=O)[C@H]1CN(C(=O)c2cccn2C)Cc2ncn(CC)c21 96059382 VMOFKBPNVHCSDT-LBPRGKRZSA-N 330.388 1.544 0 40 EDAB CCS(=O)(=O)NC[C@]12COC[C@H]1CN(CCc1ccccc1)C2 96108377 JPDXKAHPIIVZRG-SJORKVTESA-N 338.473 1.117 0 40 EDAB COCC(=O)N[C@@H]1COCCC12CCN(Cc1cccc(C)n1)CC2 96216997 PMDLRIBYVDMEAB-QGZVFWFLSA-N 347.459 1.524 0 40 EDAB CCc1ccc(CN2C[C@H](NC(=O)c3ccno3)[C@@H]3OCCC[C@@H]32)o1 96185944 FTTOCJABRVZRGY-ZOBUZTSGSA-N 345.399 1.992 0 40 EDAB C[C@@H]1CO[C@@H](CO)CN1CCOc1ccccc1Br 93793250 NLUVFVGWOYERPI-VXGBXAGGSA-N 330.222 1.910 0 40 EDAB Cc1nc(CN2CCn3c(CN4CCN(C)CC4)cnc3C2)cs1 96061798 USHHSYDJUYUMIW-UHFFFAOYSA-N 346.504 1.411 0 40 EDAB COCc1cc(N[C@@H]2CCc3nnc(C(C)C)n3C2)n2ncnc2n1 97199320 VVELLFGBILPYTL-LLVKDONJSA-N 342.407 1.413 0 40 EDAB Cc1noc(CNC(=O)N2CCN([C@H](C)c3ccccn3)CC2)n1 96503169 QDFIMSVIHRCGFG-GFCCVEGCSA-N 330.392 1.361 0 40 EDAB Cc1cc(CN2CCOC[C@@H]2c2nccc(N3CCOCC3)n2)no1 96215130 AJENVBXGOOEHSG-OAHLLOKOSA-N 345.403 1.183 0 40 EDAB O=C(NC[C@H]1CCCO1)C1=NO[C@@]2(CCN(c3ccccc3)C2)C1 247485554 KQUPCLQCVABEMP-QAPCUYQASA-N 329.400 1.707 0 40 EDAB CN(C)c1cc(N2CC3(CC[C@@H](CN4CCCC4)CO3)C2)ncn1 248153161 YHQCTANHABRTIE-HNNXBMFYSA-N 331.464 1.624 0 40 EDAB COc1ccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2S(=O)(=O)N(C)C)cc1 247971172 UOOULBVXCDDOQJ-XEZPLFJOSA-N 340.445 1.733 0 40 EDAB CCn1nc(C(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)cc1C 257314701 UYCSTDQHOXNDMY-SFHVURJKSA-N 343.431 1.320 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(Cc2c[nH]nc2-c2ccccc2)C1 257324304 WOCBNYWARMMRGC-INIZCTEOSA-N 327.432 1.186 0 40 EDAB Cn1cnnc1[C@H]1CN(C(=O)N[C@H]2COc3ccccc32)CCO1 583623920 GRTXSSJTDXMOCA-GXTWGEPZSA-N 329.360 1.032 0 40 EDAB CC(C)C[C@H](C)OC(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 583651818 TUPIXXGDZVNTFU-DZGCQCFKSA-N 325.453 1.842 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ccnnc2)cc1 583616119 LRPOGVXDUDYWGN-SJLPKXTDSA-N 327.384 1.998 0 40 EDAB Cn1cnnc1[C@@H]1CN(C(=O)Cn2ccc3ccccc32)CCO1 583621902 OYCHLMGPCHRDJC-HNNXBMFYSA-N 325.372 1.370 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1c1cncc(-c2cncc(C(=O)O)c2)n1 257212780 CEXWUQIKDOLDES-CQSZACIVSA-N 348.384 1.333 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1 257246043 ISEQDPOVPJTYPA-AWEZNQCLSA-N 330.363 1.800 0 40 EDAB CCc1nccn1CC(=O)N1CCN(C)[C@@H](c2ccc(OC)cc2)C1 257211321 BYLMYPNUSYBOJM-QGZVFWFLSA-N 342.443 1.969 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)c1 252487911 IEFPUTVCJPJZKY-DZGCQCFKSA-N 329.462 1.740 0 40 EDAB CN(C)C(=O)C1(CCCc2ccncc2)CN(Cc2cncn2C)C1 257324496 WOXLQGHLZFBUJS-UHFFFAOYSA-N 341.459 1.728 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1occc1C)C2 253479136 OVUMKEUCSNVKRO-GFCCVEGCSA-N 327.402 1.254 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC(c3onc4c3CCC4)CC2)CC1 257266123 MBSDDMWIASBKRM-UHFFFAOYSA-N 347.459 1.716 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(Cc3ccccc3C(=O)O)CCO2)n1 257341111 ZIWADRULFPTKCS-AWEZNQCLSA-N 329.356 1.762 0 40 EDAB Cc1ncncc1C(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257330861 XQIBIIPUMPZXKL-BZUAXINKSA-N 328.372 1.271 0 40 EDAB COC1CCN(C(=O)N2CCN(c3ncncc3Cl)CC2)CC1 585081001 QJGJQUATUWSPIA-UHFFFAOYSA-N 339.827 1.483 0 40 EDAB CC[C@H](CNC(=O)CCOc1ccc(C=O)cc1OC)C(=O)OC 585089834 KIKFMPAJGNBEOV-CYBMUJFWSA-N 337.372 1.592 0 40 EDAB Cn1c(S(=O)(=O)N2c3ccccc3C[C@@H]2CO)cnc1Cl 585119001 MGIUUAOWQQWYPL-SNVBAGLBSA-N 327.793 1.186 0 40 EDAB C[C@H](O)CCCN[C@H]1CCO[C@]12CCN(C(=O)OC(C)(C)C)C2 1616036463 VXYMPDBNWHSIDW-ZQIUZPCESA-N 328.453 1.906 0 40 EDAB C[C@H]1COCCN1CCNc1ccc(C(=O)Nc2ccccc2)nn1 606154698 MNVHXKRJRZDZRG-AWEZNQCLSA-N 341.415 1.862 0 40 EDAB COC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc(O)ccc2C)CC1 1615587315 ZDLULZHGTBVFKQ-KRWDZBQOSA-N 346.427 1.943 0 40 EDAB O=C(NCC(=O)N1CC[C@@H](Oc2ncc(F)cn2)C1)c1ccccc1 390828683 SWBSOARLOTUVAI-CQSZACIVSA-N 344.346 1.025 0 40 EDAB O=C(c1ccncc1)N1CCOC[C@](O)(COc2ccc(F)cc2)C1 585269307 OTMFHYPZIWMQBM-SFHVURJKSA-N 346.358 1.503 0 40 EDAB O=C(c1ccon1)N1CCOC[C@@](O)(COc2ccc(F)cc2)C1 585269175 LCHRPNMPJKWPGT-MRXNPFEDSA-N 336.319 1.096 0 40 EDAB CN1CCC(N2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 585275251 BBNNBUMLKMPTNY-GOSISDBHSA-N 338.423 1.362 0 40 EDAB CN1N=C(C(=O)NCc2ccc(OC(F)(F)F)cc2)CCC1=O 44892801 FSSBLUDCUSEMNM-UHFFFAOYSA-N 329.278 1.810 0 40 EDAB COc1ncccc1CNC(=O)NC[C@@H](C(C)C)N1CCOCC1 44910190 CHIKDSSLJIMMNK-HNNXBMFYSA-N 336.436 1.246 0 40 EDAB CCN(CC)CCNC(=O)C1CCN(C(=O)c2cccnc2)CC1 46822951 CULSHVZPTGRTMG-UHFFFAOYSA-N 332.448 1.392 0 40 EDAB O=C(Cc1ccccc1F)NC[C@H]([C@H]1CCOC1)N1CCOCC1 47635552 BAIGYIQHNRISLK-DOTOQJQBSA-N 336.407 1.222 0 40 EDAB C[C@H](Cc1ccccc1F)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 53190530 HYRASDIUDRIIHJ-DGCLKSJQSA-N 345.461 1.793 0 40 EDAB Cc1nccn1-c1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1F 56103377 XMSDAZAYVLQGAX-UHFFFAOYSA-N 329.335 1.867 0 40 EDAB O=C(/C=C/c1cccs1)N1CCN(C(=O)Nc2cn[nH]c2)CC1 57029680 QSDOOBKHJPIVDQ-ONEGZZNKSA-N 331.401 1.861 0 40 EDAB CN(C)c1nccc(N2CCN(c3nnc(C4CC4)s3)CC2)n1 301798146 ZIFQWEOPGSASRA-UHFFFAOYSA-N 331.449 1.598 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@@](O)(c1cccs1)C1CC1 75155326 BCEUITZKXSIRAL-AWEZNQCLSA-N 342.442 1.929 0 40 EDAB COc1ccc(CNC(=O)N2CCC(S(C)(=O)=O)CC2)cc1 96098252 NVOSDOMNCYBMTQ-UHFFFAOYSA-N 326.418 1.414 0 40 EDAB O[C@H]1CCN(C2CCOCC2)C[C@]1(O)COc1ccc(F)cc1 1615106019 QIYDJTYMAZUCHX-IRXDYDNUSA-N 325.380 1.181 0 40 EDAB CC(C)C(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697907 ZVKVJCDXEPTGOS-UHFFFAOYSA-N 326.404 1.920 0 40 EDAB Cc1nonc1CC(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 12366132 VUTSEZXJRNHHCY-CQSZACIVSA-N 330.388 1.272 0 40 EDAB O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1ccco1 15674473 IUKKWJGRIFJUGA-UHFFFAOYSA-N 342.402 1.558 0 40 EDAB CCCC(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1 15674505 WNPAKQXZCMALFV-UHFFFAOYSA-N 332.451 1.697 0 40 EDAB Cc1ccc(CC(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)cc1 19209883 XJNAWFMPKAWZEA-INIZCTEOSA-N 336.439 1.989 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NCc3cccs3)n2)o1 19216740 LVQZOFDDWZRWDP-UHFFFAOYSA-N 344.396 1.772 0 40 EDAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1Cc1ccc2c(c1)OCO2 19286370 XOZKNKSRFKQQPL-UONOGXRCSA-N 339.395 1.939 0 40 EDAB Cc1cc(N2CCN(C(=O)Cc3ccon3)CC2)nc(C(C)C)n1 154717512 JSEOPONJWPXXEI-UHFFFAOYSA-N 329.404 1.788 0 40 EDAB Cc1c(O)nc2nnc(SCC(=O)N3CCCCCC3)n2c1C 4250364 LIRKSTCBGCURRX-UHFFFAOYSA-N 335.433 1.941 0 40 EDAB O=C(CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)NCCC1=CCCCC1 577236172 LQLQUTNCTKVKTC-KURKYZTESA-N 336.476 1.855 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)cc1 583651199 GWDPFYQYCIKEEG-GOEBONIOSA-N 335.429 1.927 0 40 EDAB O=C([C@H]1CN(CCOc2ccccc2)CCO1)N1CCSCC1 1888868572 JCVCZUSKUCMANK-MRXNPFEDSA-N 336.457 1.342 0 40 EDAB Cc1nc(C2CC2)cc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 1888888523 WKBBGVFKDRPCLQ-UHFFFAOYSA-N 336.403 1.655 0 40 EDAB O=C(c1ccc2nn[nH]c2c1)N1C[C@@H]2CN(c3nccs3)C[C@H]2C1 1888910361 OGNONEGPGCGUAS-VXGBXAGGSA-N 340.412 1.623 0 40 EDAB CCOC(=O)CCC(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C 240068151 SKDUELYSWJEMGN-UHFFFAOYSA-N 341.389 1.099 0 40 EDAB O=C(c1cocn1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037983887 JYHABMNHLQSAOU-SFHVURJKSA-N 341.367 1.570 0 40 EDAB CCOCC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912366 KKAZZSOQKPKRFB-KRWDZBQOSA-N 325.380 1.985 0 40 EDAB Cn1c(C(=O)N2CC[C@H]3CN(Cc4cccnc4)C[C@H]32)cccc1=O 1076225375 HWZQYJAIIDVYGB-DOTOQJQBSA-N 338.411 1.127 0 40 EDAB COc1cccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)c1 4941320 KTJADXIRFBBTMI-OAHLLOKOSA-N 348.399 1.826 0 40 EDAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(CC(C)=O)c(=O)n(C)c3nc12 8704304 HHZRTWOVCHRYGM-SECBINFHSA-N 345.403 1.326 0 40 EDAB Cn1ccnc1S(=O)(=O)N1CCc2nc3ncccc3cc2C1 1890683429 SLAXMEYSDNAZQR-UHFFFAOYSA-N 329.385 1.110 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(CC(F)(F)F)CC1 44448744 MIYXSVWWOJWXJW-ZDUSSCGKSA-N 330.306 1.533 0 40 EDAB O=C(NCCn1c(=O)[nH]c2ncccc2c1=O)c1ccccc1Cl 225794915 FZNCUPRCVBYWDE-UHFFFAOYSA-N 344.758 1.168 0 40 EDAB COc1ncccc1CNC(=O)C[C@H](NC(N)=O)c1ccccc1 30305076 QXGKLMNYJUIIOB-AWEZNQCLSA-N 328.372 1.506 0 40 EDAB CNC(=O)CNC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 30858358 UQDPVZUGFQVVOT-KRWDZBQOSA-N 336.395 1.856 0 40 EDAB Cc1cccc(OCCNC(=O)CN2CCC[C@H]2Cn2cncn2)c1 69453356 PFNMJTOWUQMALB-INIZCTEOSA-N 343.431 1.246 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CN1CCSC1=O)c1ccccc1 40476137 PPTGKDCVDUPUFS-AWEZNQCLSA-N 330.413 1.795 0 40 EDAB O=C1COc2ccccc2N1CCC(=O)N1CCO[C@@H]2CCCC[C@H]21 40553903 YBXRFQOXMNZHQV-GDBMZVCRSA-N 344.411 1.972 0 40 EDAB COCCN(C)CCNC(=O)c1ccccc1S(=O)(=O)C(C)C 69414162 VTUHAOABRVOULJ-UHFFFAOYSA-N 342.461 1.177 0 40 EDAB C[C@@H](NC(=O)NCc1cccc(CN2CCCC2)c1)c1nncn1C 45976851 JPASMMYTCNCPLF-CQSZACIVSA-N 342.447 1.971 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1cnn(C)c1)c1ccccc1Cl 46033805 ZFUKXPGOIATYGI-CQSZACIVSA-N 342.852 1.655 0 40 EDAB CCNC(=O)C1CCN(Cn2nc(-c3ccccc3)oc2=O)CC1 29539718 NXEPONBTVZOMBY-UHFFFAOYSA-N 330.388 1.309 0 40 EDAB CC(=O)c1cc(Cl)ccc1OCC(=O)N(C)CC(=O)NC1CC1 7088835 IDSJKMWSGFQXQZ-UHFFFAOYSA-N 338.791 1.658 0 40 EDAB Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(-c3ccccc3)cc1)NC(=O)N2 20734979 XOIYOKVRRRSNCC-HNNXBMFYSA-N 348.362 1.965 0 40 EDAB Cc1ccc(NC2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)nn1 71863569 SUPHZPPYQXKFII-JKSUJKDBSA-N 340.431 1.725 0 40 EDAB CCn1nc(C(=O)Nc2sccc2C(N)=O)c2ccccc2c1=O 2639567 GISLAYBXROKMLM-UHFFFAOYSA-N 342.380 1.829 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 2636150 KDLBGHNFDZCLTK-NSHDSACASA-N 325.365 1.438 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 71877420 LHKQVGOYWOPSKS-HUUCEWRRSA-N 337.439 1.344 0 40 EDAB Nc1nc(COC(=O)C2(O)CCCCC2)nc(Nc2ccccc2)n1 32778486 SXHSEHOCAUBYNA-UHFFFAOYSA-N 343.387 1.936 0 40 EDAB O=C1C[C@@H](N2CCCC[C@@H]2CCO)C(=O)N1c1ccc2c(c1)OCO2 8559604 WTBPWODZGGDVRU-TZMCWYRMSA-N 346.383 1.284 0 40 EDAB Cc1cnc(C(=O)N2[C@@H]3CC[C@@H]2[C@]2(C3)NC(=O)c3ccccc3N2)cn1 100119672 PKVUSFNXLNWUNH-FXHACXQTSA-N 349.394 1.714 0 40 EDAB NC(=O)N1CCC(C(=O)OCc2nnc(-c3ccc(F)cc3)o2)CC1 58328409 JJLOCRVZZNJDSV-UHFFFAOYSA-N 348.334 1.710 0 40 EDAB CNC(=O)Cc1noc(-c2cc(N3CCCC3=O)ccc2Cl)n1 89647397 KIDWFUVQWORTLH-UHFFFAOYSA-N 334.763 1.805 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(-c2nc(C)no2)cc1 33213244 YDJGYGQPUVZNNH-CQSZACIVSA-N 328.372 1.786 0 40 EDAB CCc1nc2ccccc2n1CC(=O)NCC(=O)NCC(F)(F)F 53172486 FMFDQUYJIXSORA-UHFFFAOYSA-N 342.321 1.393 0 40 EDAB CCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245753 BOMLTJUCVHHDCK-UHFFFAOYSA-N 343.449 1.086 0 40 EDAB Cc1cc(Cl)ccc1OCC(=O)Nc1cc(=O)n(C)c(=O)n1C 2742291 FLKVPMHFVHUHGZ-UHFFFAOYSA-N 337.763 1.063 0 40 EDAB COc1ccccc1CNC(=O)CCNc1ncnc2[nH]cnc12 12296964 BJILTFAIZIXQOV-UHFFFAOYSA-N 326.360 1.480 0 40 EDAB biogenic COc1ccc(OC[C@H](O)CN(C)CC(=O)Nc2cc(C)on2)cc1 53944323 NSRBOKGJTHFJPL-CYBMUJFWSA-N 349.387 1.302 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sccn2C)cc1 103038642 PDJCRKUGMVNXNS-BUHFOSPRSA-N 325.415 1.078 0 40 EDAB C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc2c(c1)OCO2 42648608 OWMJBUNRLMCRFD-CMPLNLGQSA-N 340.401 1.017 0 40 EDAB COC[C@H](C)NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 23722392 NABBRIMHDCCGBP-NSHDSACASA-N 328.434 1.528 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC2CCN(CC(N)=O)CC2)o1 43122398 IYXOBMWOYGIEHB-IUODEOHRSA-N 333.432 1.402 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100615145 OEVVWXFIYQUZHV-YFFLOQLSSA-N 337.375 1.735 0 40 EDAB O=C1[C@@H]2[C@@H](ON3CCOC[C@@H]23)C(=O)N1c1cccc(C(F)(F)F)c1 106345306 QNBXMUGKYKVTDB-SDDRHHMPSA-N 342.273 1.209 0 40 EDAB NC(=O)[C@@H]1CCCN(c2ccc(C(=O)OC[C@@H]3CCCO3)cc2)C1 106514870 XOWAPIPJIOMBNX-ZBFHGGJFSA-N 332.400 1.724 0 40 EDAB CCOC(=O)c1ncn2c(=S)n(C(=O)c3ccccc3)nnc12 1414593 HAZDWJLOTKRHEZ-UHFFFAOYSA-N 329.341 1.520 0 40 EDAB CN(CC(=O)Nc1ccn(-c2ccccc2)n1)c1ncnc2[nH]cnc12 56406411 NXBXQSVGTJUBFE-UHFFFAOYSA-N 348.370 1.614 0 40 EDAB O=C(COC(=O)c1ccc(Br)o1)NC[C@@H]1CCCO1 3265183 GKABSOFQISJOOO-QMMMGPOBSA-N 332.150 1.494 0 40 EDAB CC(=O)N[C@@H]1CCCN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 57861541 LZIGRJLGGFHLGZ-CABCVRRESA-N 325.453 1.986 0 40 EDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1F 57991948 PBNHDCBRJPHQOG-VIFPVBQESA-N 337.319 1.820 0 40 EDAB COc1ccc(C)cc1C1(CN[C@@H](C)C(=O)NC(N)=O)CCOCC1 58171557 UGWFTLRSUKDNJT-ZDUSSCGKSA-N 349.431 1.225 0 40 EDAB C[C@@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)Cn1cccn1 58193503 IOJJWMLOMWIUID-LBPRGKRZSA-N 348.838 1.993 0 40 EDAB CC(C)Oc1ccc([C@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 44909352 HRDMICWPJQBTHF-LBPRGKRZSA-N 331.372 1.201 0 40 EDAB O[C@@H](CN1CCN(Cc2ccccn2)CC1)c1ccc2c(c1)OCO2 44974708 IWSGIYWLVXCEDO-KRWDZBQOSA-N 341.411 1.662 0 40 EDAB CCCn1nc(C(=O)NC[C@@H](O)c2ccc(OC)cc2)ccc1=O 44918891 XRSJPPDTTKSDHX-OAHLLOKOSA-N 331.372 1.125 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccncc2)cc1 44907218 XYOPWGLTDFZIQC-HNNXBMFYSA-N 331.397 1.706 0 40 EDAB C[C@@H]1CN(c2ccc(C(=O)N[C@H](C)[C@@H]3CCCO3)cn2)C[C@@H](C)O1 27907974 GEOPRJQWBPARQY-KQTLUZQSSA-N 333.432 1.993 0 40 EDAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCN1CCCCC1 58416147 AELNSGBAHRLCNU-UHFFFAOYSA-N 339.461 1.167 0 40 EDAB CCOC(=O)C(NC(=O)c1nccc2ccccc12)C(=O)OCC 58419592 DNHRMBOJLORDMQ-UHFFFAOYSA-N 330.340 1.459 0 40 EDAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCCC(C)C 28207543 YBKVSYJTJLTOBZ-UHFFFAOYSA-N 342.461 1.786 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)c3cccnc3S)cn2)CCO1 36390650 PTKWGVLJNAHDAH-GFCCVEGCSA-N 344.440 1.920 0 40 EDAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN(C)CC(OC)OC 2376128 MCTSVXJSXCTKER-UHFFFAOYSA-N 349.387 1.444 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2nccs2)CC1 48234291 OVWLABUNODQRGC-UHFFFAOYSA-N 334.449 1.254 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)NC1CCN(c2ccccn2)CC1 48230021 WPULDHGIIRMTEP-HNNXBMFYSA-N 347.463 1.070 0 40 EDAB NC(=O)NC(=O)COC(=O)c1cc(Br)ccc1Cl 3564592 QLBMPTFRCKTNBT-UHFFFAOYSA-N 335.541 1.454 0 40 EDAB CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CCO1 68724588 NUZPWVFISCDJOA-SNVBAGLBSA-N 338.326 1.787 0 40 EDAB O=S(=O)(c1ccc(NCCc2ccccc2)nc1)N1CCOCC1 68838912 PBVQFJMBVDGKHY-UHFFFAOYSA-N 347.440 1.757 0 40 EDAB COc1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1 13011720 RWUBMQRCJDCMTH-PBHICJAKSA-N 349.431 1.554 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1csnn1)n2CC(C)C 48876226 SOZAXIRAOQRXHZ-UHFFFAOYSA-N 348.432 1.861 0 40 EDAB O=C(O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 3887571 QJEYDAZODKHMTB-QUBYGPBYSA-N 340.184 1.202 0 40 EDAB CCOc1ccccc1N1C(=O)C(=O)N(Cc2noc(CC)n2)C1=O 69538395 GCJWBWFWXQEWSL-UHFFFAOYSA-N 344.327 1.526 0 40 EDAB CC(C)[C@H](NC(=O)CN1CCN(C[C@@H](C)O)CC1)c1cccs1 70004358 QVKCXTIFFVMTJR-PBHICJAKSA-N 339.505 1.560 0 40 EDAB O=C([C@H]1CCCO1)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 69533227 DACIVEZKSCZERY-DZGCQCFKSA-N 338.429 1.135 0 40 EDAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1cn2ccccc2n1 69534551 DGYKJZNMOAVVBS-INIZCTEOSA-N 330.432 1.446 0 40 EDAB Cc1ccccc1S(=O)(=O)NC(=O)[C@@H](C)OC[C@@H]1CCCCO1 69343038 QUXVVRDIYRUYEO-KGLIPLIRSA-N 341.429 1.774 0 40 EDAB Cc1nc(NC[C@H]2CN(C)CCO2)c2cnn(-c3ccccc3)c2n1 69323789 JYWBDLBLURBUGL-HNNXBMFYSA-N 338.415 1.866 0 40 EDAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@H](n2cccn2)C1 69328447 WJYIIHAKVOKNEX-CVEARBPZSA-N 340.431 1.753 0 40 EDAB Cc1cc(S(=O)(=O)NCCCN(C)C)ccc1N1CCCC1=O 22534212 FBSOBWVPMONWFM-UHFFFAOYSA-N 339.461 1.352 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)C(C)(C)C)C2=O 6369229 HDVLXTQULKLLGM-GTNSWQLSSA-N 338.404 1.646 0 40 EDAB C[C@H](Sc1nccn1C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5359181 HYWCPOJFLOLTGN-VIFPVBQESA-N 340.430 1.187 0 40 EDAB NS(=O)(=O)CCCNC(=O)c1ccc(-c2ccccc2F)s1 65562154 BWELIZZRYVOTJD-UHFFFAOYSA-N 342.417 1.963 0 40 EDAB Cc1ccccc1C(=O)NCC(=O)N1CCC(N2CCCC2)CC1 65542271 PGFITUUHPJPDFK-UHFFFAOYSA-N 329.444 1.812 0 40 EDAB Cc1ccccc1-n1cnnc1S[C@@H](C(=O)NC(N)=O)C(C)C 4510219 DLWWBCHKSVCYMR-GFCCVEGCSA-N 333.417 1.887 0 40 EDAB C[C@@H](NC(=O)NC[C@@H](C)N1CCc2ccccc2C1)c1nncn1C 65623123 ZRKMIJCMONNOGI-ZIAGYGMSSA-N 342.447 1.622 0 40 EDAB Cc1ccc(NC[C@H]2CCN(CCCNS(C)(=O)=O)C2)nc1 65608334 DXPSVIMAEDNFPG-CQSZACIVSA-N 326.466 1.063 0 40 EDAB Cc1cnn([C@H](C)[C@@H](C)NCC(=O)NC2CCN(C3CC3)CC2)c1 69624587 VPPNJAHIVZQRNO-HUUCEWRRSA-N 333.480 1.474 0 40 EDAB CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)[C@@H]1C=CCC[C@@H]12 4665030 LOAGISHDYLXNHV-WTVLQJKYSA-N 325.364 1.726 0 40 EDAB O=C1CCCN1CCCN1CCN(C[C@H](O)c2ccccc2)CC1 69652267 JIUXFPDNUZHEQK-SFHVURJKSA-N 331.460 1.350 0 40 EDAB C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NCCOCCO)cc1 69656356 ZMNBKQPAVQKJLE-CQSZACIVSA-N 349.431 1.832 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H](C)c3c(C)nn(C)c3C)CC2)on1 69740536 HMDKRCJMMZTKTF-ZDUSSCGKSA-N 345.447 1.781 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2nc(C)cc2C)c(F)c1 69700089 JKIDYPITIQEULE-MRXNPFEDSA-N 344.390 1.979 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)NCc3ccco3)C2)n1 69817502 HYMUGZDTKOPCHL-HNNXBMFYSA-N 331.420 1.516 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cccn2Cc2cccnc2)CC1 69843152 BNRWYCAUROGAPZ-OAHLLOKOSA-N 328.416 1.070 0 40 EDAB O[C@H](CN[C@@H]1CCc2ncnn2C1)c1ccc(C(F)(F)F)cc1 69875363 WGCJBACOZWSXIQ-CHWSQXEVSA-N 326.322 1.935 0 40 EDAB COc1cc2c(cc1CNC[C@H]1CN(C3CC3)CCO1)O[C@@H](C)C2 69843177 PAIFWKRGGDCOSZ-GUYCJALGSA-N 332.444 1.971 0 40 EDAB C[C@@H]1CCc2sc(C(=O)N3CCN([C@H](C)C(N)=O)CC3)cc2C1 69895533 XGIMKYOXUWXONG-VXGBXAGGSA-N 335.473 1.505 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCc1ccccc1OCC(=O)N(C)C)CC2 69899462 KZFVMXUNYMSROX-HNNXBMFYSA-N 343.431 1.158 0 40 EDAB Cc1cc(C)c2cc(C(=O)N3CCC[C@@H](CS(N)(=O)=O)C3)[nH]c2c1 69845638 LFONCRLMXLOMII-CYBMUJFWSA-N 349.456 1.925 0 40 EDAB O=C(O)c1csc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 15243103 VFYXOZIHKVTZKD-UHFFFAOYSA-N 327.339 1.976 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CNC(N)=O)cc2)C1 20902554 ISDNILXKVRBPKF-AWEZNQCLSA-N 333.388 1.270 0 40 EDAB NS(=O)(=O)c1ccc(CC(=O)Nc2ccnn2C2CCCC2)cc1 67273108 OHRSIHOXFINDMH-UHFFFAOYSA-N 348.428 1.827 0 40 EDAB O=C(CN1CCC[C@@H](N2CCCC2)C1)NC(=O)NC1CCCCC1 69978674 MBGOYNYZVRAOTF-MRXNPFEDSA-N 336.480 1.705 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)N1CCC[C@H]1Cn1cccn1 69968560 DGZTWSUQZLAMBR-LBPRGKRZSA-N 343.412 1.346 0 40 EDAB Cc1ccsc1CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 67627731 DQPKQEWTFDSAEH-LLVKDONJSA-N 331.463 1.280 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@@H](C)S(C)(=O)=O)n1 71865523 RTTQMKRJYGVEJO-KGLIPLIRSA-N 327.450 1.314 0 40 EDAB CN1C(=O)N(C[C@H](O)COCc2ccco2)C(=O)C12CCCCC2 71862756 XNMLBLKPJGCHBO-ZDUSSCGKSA-N 336.388 1.754 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2cccc(CC)c2)C1 92843293 WLEMMBOAUWESIZ-HNNXBMFYSA-N 339.461 1.201 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)C[C@@H]3CCCCN3C(C)=O)CCO2)n1 83829860 KCCSCTOMGQFUMP-UONOGXRCSA-N 349.435 1.058 0 40 EDAB COc1ccc2nnc(CCC(=O)NCc3ccccc3F)n2n1 71289167 OMOKDFOZSBPACI-UHFFFAOYSA-N 329.335 1.521 0 40 EDAB O=C(NCCN1CCOCC1)Nc1ccc(OC(F)F)c(F)c1 71941932 SBJSKBKZSKFXAM-UHFFFAOYSA-N 333.310 1.881 0 40 EDAB O=C(O)C[C@@H]1Oc2ccccc2N(CC(=O)NC2CCCC2)C1=O 19768257 CNLGSCJDJDXYDK-AWEZNQCLSA-N 332.356 1.314 0 40 EDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCc1ccccn1 96232024 NPAYXCBSADLDQW-HNNXBMFYSA-N 338.367 1.209 0 40 EDAB CCONC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 9725594 ROLMZTJTWAMBIH-UHFFFAOYSA-N 340.445 1.772 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1O)C2=O 9479050 NEJTVANTNZVCFO-PIGZYNQJSA-N 331.372 1.831 0 40 EDAB C[C@@H](NC(=O)CCN1CCSC1=O)c1nnc2n1CCCCC2 89913884 FZZXPBCZQPDNQP-LLVKDONJSA-N 337.449 1.741 0 40 EDAB C[C@@H]1C(=O)NCCN1CCC(=O)Nc1cccc(Br)c1 72290409 HHKSBUPVAGKHCY-SNVBAGLBSA-N 340.221 1.598 0 40 EDAB Cn1cc(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c2ccccc21 72269538 PMTVNJPGURZTQZ-RTBURBONSA-N 341.455 1.778 0 40 EDAB O=S(=O)(Nc1ccc(-n2ccnc2)nc1)c1c[nH]c2ncccc12 72275929 IHRHIRMBHZLCHK-UHFFFAOYSA-N 340.368 1.944 0 40 EDAB C[C@](NC(=O)c1ccc2nncn2c1)(C(N)=O)c1cccc(Cl)c1 89905187 GOOAWXAMSPKYSR-MRXNPFEDSA-N 343.774 1.513 0 40 EDAB Cn1cc(NC(=O)Nc2nc3ccc(Br)cn3n2)cn1 97136372 GTLZHQARGZCLAC-UHFFFAOYSA-N 336.153 1.869 0 40 EDAB C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 97166232 MYYVESMYFZFWNL-JVLSTEMRSA-N 346.399 1.640 0 40 EDAB O=C([C@@H](c1ccccc1)N1CCn2ccnc2C1)N1CCOCC1 97201540 KKJIAFVMUAFWSP-QGZVFWFLSA-N 326.400 1.299 0 40 EDAB C[C@@H](CO)[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 97598136 SWEWAQJHOCVFBI-DTWKUNHWSA-N 336.360 1.821 0 40 EDAB CC[C@H](NC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccncc1 76088190 KPDJJVNZSAOGJQ-NEPJUHHUSA-N 344.337 1.995 0 40 EDAB Cn1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cn1 72718277 QTGOGRZQEMPTFF-UHFFFAOYSA-N 346.456 1.420 0 40 EDAB c1ccc2[nH]c(N3CCCN(c4ccc5nnnn5n4)CC3)nc2c1 95351035 KMGMGTWEXAKNRJ-UHFFFAOYSA-N 335.375 1.112 0 40 EDAB O=C1CC[C@@H](C(=O)NCCOCc2ccc(Cl)cc2Cl)N1 95463838 QFKMOKLHUGNYFQ-LBPRGKRZSA-N 331.199 1.905 0 40 EDAB C[C@@H](C(=O)N1CCCN(CC(N)=O)CC1)c1ccc(Cl)s1 95408464 SRUKGHGRGHBTBO-SNVBAGLBSA-N 329.853 1.525 0 40 EDAB C[C@@H](NC(=O)N1CCC(Cc2cccnc2)CC1)c1nncn1C 95457420 PFDSHYQZCUDBRY-CYBMUJFWSA-N 328.420 1.935 0 40 EDAB O=C(CCNc1ncccn1)N1CCN(CCc2ccccn2)CC1 95479694 WDGZFQLNBDXYMY-UHFFFAOYSA-N 340.431 1.061 0 40 EDAB O=S(=O)(C1CC1)N1CCC(NCc2cc(F)c(O)c(F)c2)CC1 84961859 CIBHZVDMUOEPOT-UHFFFAOYSA-N 346.399 1.717 0 40 EDAB COc1ccc2nc(C)nc(NC[C@@](C)(O)c3cnn(C)c3)c2c1 95982720 XMDWHBSQQFLEHG-QGZVFWFLSA-N 327.388 2.000 0 40 EDAB CCc1cnc(CCNC(=O)N2CCC(n3cncn3)CC2)s1 74841855 WANVMRZOORBCAD-UHFFFAOYSA-N 334.449 1.886 0 40 EDAB C[C@@H](CNC(=O)N(C)CCS(C)(=O)=O)c1ccc(F)c(F)c1 74891692 DRUPCJBBNSARJH-JTQLQIEISA-N 334.388 1.754 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2c1CCCC2 79101481 WPBPQHUNYGERQM-INIZCTEOSA-N 343.427 1.583 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CC(=O)Nc2c1c(C)nn2CC(=O)O 65526661 PHWTWFKCDACLSY-QMMMGPOBSA-N 337.767 1.446 0 40 EDAB CC(=O)Nc1cc(S(=O)(=O)Nc2nc(C)cc(C)n2)ccc1F 185707184 DTVHYSDAEYPBEG-UHFFFAOYSA-N 338.364 1.992 0 40 EDAB CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2c(C)n[nH]c2C)ncn1 187881811 HMADFCBXBGNAOT-CYBMUJFWSA-N 343.435 1.186 0 40 EDAB Cc1nc(Nc2nccs2)cc(C2CN(C(=O)CN(C)C)C2)n1 72382777 LMDMQWBRTPFWFI-UHFFFAOYSA-N 332.433 1.473 0 40 EDAB N[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218642721 IVQYEAGJOSKWRQ-DZKIICNBSA-N 335.356 1.548 0 40 EDAB Cc1cn([C@H]2CO[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3C2)c(=O)[nH]c1=O 79036624 FMYZRWWKHDJURY-JYYAWHABSA-N 344.367 1.289 0 40 EDAB COc1ccccc1N1CCN(Cc2ncc(C(=O)O)cn2)CC1 217343952 QPSWEYVFFSRJOR-UHFFFAOYSA-N 328.372 1.506 0 40 EDAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2C[C@@H](O)CN2C[C@@H]1C 36718960 BEERMGACMMQTOF-XJNFMUPTSA-N 332.444 1.733 0 40 EDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cccnc1Cl 36646002 LAFOZLHRFYHGFG-UHFFFAOYSA-N 348.790 1.725 0 40 EDAB O=CN(CC(=O)N1CCc2ccccc2C1=O)C(=O)C1CCCCC1 35567191 RPNVVNYKJLHAFP-UHFFFAOYSA-N 342.395 1.777 0 40 EDAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCOCC1)cn2CC(=O)O 36357262 FTTPTSSVBYUAFF-INIZCTEOSA-N 348.355 1.192 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncnc3c2CCC3)C1)c1ccns1 1058198828 TYDBBDCYFKFJAS-LLVKDONJSA-N 329.429 1.821 0 40 EDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CO)CO)cc1 218361271 NTXFOYAWWNFLOB-SJORKVTESA-N 332.421 1.906 0 40 EDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2cccc(C)c2C)c1=O 222659512 SPBKVJIJXJZCDX-UHFFFAOYSA-N 345.399 1.683 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](O)c1ccc2c(c1)CCO2 85559366 RRCMFHGBSIQMJS-CYBMUJFWSA-N 338.385 1.238 0 40 EDAB CO[C@@H](C)CS(=O)(=O)NCc1cccc(NC(=O)C2CCC2)c1 195082847 NNDULKIBSFKFQW-LBPRGKRZSA-N 340.445 1.880 0 40 EDAB CCOc1ncccc1C(=O)NCc1nc(-c2ccc[nH]c2=O)no1 225804315 LHEMTHYNYFBSFM-UHFFFAOYSA-N 341.327 1.149 0 40 EDAB Oc1cccc(CN2CCN(C(=S)NC[C@@H]3CCCO3)CC2)c1 225221923 KNDOXHPAHOMWCS-INIZCTEOSA-N 335.473 1.563 0 40 EDAB COCC(=O)N[C@H]1[C@H](c2cccs2)N(CC2CC2)CC[C@@]1(C)O 514289724 CWYRCTVNVAXBCL-YESZJQIVSA-N 338.473 1.787 0 40 EDAB biogenic,in-vitro Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)cc1F 96410796 OIYRQUYDKODSQT-CYBMUJFWSA-N 345.378 1.201 0 40 EDAB CN(C)C(=O)CN1CCC2(CCC(=O)N2Cc2cccnc2)CC1 96075415 AQRZANHGBFNVKP-UHFFFAOYSA-N 330.432 1.127 0 40 EDAB O=C(C1CCOCC1)N1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 96108000 FQEYNPSTRRZTFZ-ZWKOTPCHSA-N 336.476 1.762 0 40 EDAB CS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 96040266 XZJVEDMSJMAFCA-HZPDHXFCSA-N 340.445 1.429 0 40 EDAB O=C1CC[C@H](N2CCN(C(=O)COc3ccccc3F)CC2)CCN1 333576709 ZBUSDJKEBOLUIP-AWEZNQCLSA-N 349.406 1.017 0 40 EDAB Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)n(C)n1 91838896 CSYJKJIYOMKUCT-NSHDSACASA-N 335.433 1.968 0 40 EDAB Fc1cnc(N2CCC[C@@]3(CN(Cc4cccnc4)CCO3)C2)nc1 96226580 QKCITDDPUDFHMJ-GOSISDBHSA-N 343.406 1.882 0 40 EDAB CN1CCC(Cn2c3c(ccc2=O)C[C@H](N[C@@H]2CCOC2)CC3)CC1 96189773 YBUAQOZLFRNWJO-QZTJIDSGSA-N 345.487 1.426 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1CCN(c2cc(Cl)ncn2)CC1 96449816 RDURROZCKUPATG-UHFFFAOYSA-N 348.838 1.453 0 40 EDAB CC(C)n1cc(N2C[C@@H](C(=O)NCc3cccnc3)CC2=O)cn1 96192148 BIWDVLSMJYIPAD-AWEZNQCLSA-N 327.388 1.528 0 40 EDAB Cc1nc(CO[C@@H]2CO[C@@]3(CCN(C(=O)N(C)C)C3)C2)cs1 96107630 KNUQIDKLDVWNEO-ZFWWWQNUSA-N 325.434 1.883 0 40 EDAB c1ccc(CN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)nc1 96160287 MFTYQFCHHHTKNR-RTBURBONSA-N 347.459 1.164 0 40 EDAB COCC(=O)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1 96147001 QBLAQYQKHJPEAD-UHFFFAOYSA-N 337.445 1.343 0 40 EDAB C[C@@](NC(=O)Cn1cccn1)(C(N)=O)c1cccc(C(F)(F)F)c1 96454571 CZCLCASAMMLNSG-AWEZNQCLSA-N 340.305 1.419 0 40 EDAB NC[C@]1(CO)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242464010 DSLGTRKEFZYQDB-BBWFWOEESA-N 335.400 1.703 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CN)C(=O)O)cc1 242649044 RSPXKHMQBUSDDP-JFIYKMOQSA-N 345.420 1.964 0 40 EDAB CO[C@@H]1COCC[C@@H]1N1CCN(C(=O)c2c(C)cccc2C)CC1 585088015 HGMQNVPXGOZCLH-DLBZAZTESA-N 332.444 1.865 0 40 EDAB Cn1ccc(C(=O)N2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)n1 257271566 MYVIEUIIIVVZSZ-HOTGVXAUSA-N 333.363 1.604 0 40 EDAB CCOC(=O)c1nc(=N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc[nH]1 585132781 VHCYAQPOAIDTRQ-DMDPSCGWSA-N 348.403 1.495 0 40 EDAB O=C(Nc1cc(Cl)ccc1O)[C@@H]1C[C@H](O)CN1c1ccncn1 585122257 UDMPGAYPVHJEJL-JQWIXIFHSA-N 334.763 1.414 0 40 EDAB O=C(Cn1cccnc1=O)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257203987 ASNKQXRCNBJRBT-UAGQMJEPSA-N 339.395 1.559 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H]1c1nccnc1-c1cncs1 257219476 DGXGPFHJWBGMPO-JTQLQIEISA-N 339.446 1.543 0 40 EDAB Cn1nc(C2CCN(CC3(O)CCOCC3)CC2)c2nccnc21 257317842 VLKNLCOCNPPKFX-UHFFFAOYSA-N 331.420 1.084 0 40 EDAB C[C@@](O)(CCc1ccccc1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 252479506 BGPJFLLENZSOEI-HUUCEWRRSA-N 331.334 1.896 0 40 EDAB CCn1nccc1-c1nccnc1C[C@H]1CCN(S(C)(=O)=O)C1 257281120 ONSLSVLMCUZBRO-GFCCVEGCSA-N 335.433 1.184 0 40 EDAB Cc1ccn(CCC(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)n1 257343140 ZRQORIBQEOOYIB-MRXNPFEDSA-N 343.431 1.419 0 40 EDAB O=C(c1cc(S(=O)(=O)NC2CCCCC2)c[nH]1)N1CCCC1 27932300 NSFWXZBOIQWCIP-UHFFFAOYSA-N 325.434 1.862 0 40 EDAB CCCS(=O)(=O)N1CCC(Cc2cnc(CN(C)C)cn2)CC1 257237993 HJDBROKZIRCYJU-UHFFFAOYSA-N 340.493 1.533 0 40 EDAB Cc1cnc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)cn1 257265560 LZEFFMJXVGBOOM-SFHVURJKSA-N 341.415 1.284 0 40 EDAB Cc1ccnn1CCC(=O)N1[C@@H](CN)C[C@@]2(C)[C@H](O)CCCC[C@@H]12 257260489 LDCWWYHVXAMLFS-YFHUEUNASA-N 334.464 1.451 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)cn1 257303498 SHMZUNXBNXNRRX-SFHVURJKSA-N 341.415 1.284 0 40 EDAB Cc1c(C(=O)N2CC[C@](O)(CN3CCOCC3)C2)oc2ccccc12 257340059 ZEHIDBRLTKGXQR-IBGZPJMESA-N 344.411 1.650 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1CCO[C@@H](CCc2ccncn2)C1 257239361 HOYVFQDNMHMUAM-KRWDZBQOSA-N 343.431 1.311 0 40 EDAB C[C@H](NC(=O)Cc1nc2c(s1)C[C@H](c1ccccc1)CC2)C(N)=O 1615046178 BBDNIIYOPQTDNQ-WCQYABFASA-N 343.452 1.948 0 40 EDAB Cc1ccc(N2CCC[C@@H](NC(=O)c3cnn4ccccc34)C2)nn1 605550680 QCJFZRYVUBNYND-CQSZACIVSA-N 336.399 1.832 0 40 EDAB O=C(CNC(=O)c1ccccc1)Nc1cnn(C[C@H]2CCCCO2)c1 390829454 YYKDDUBYJUVHEE-MRXNPFEDSA-N 342.399 1.821 0 40 EDAB CCCCNC(=O)[C@H]1CSCN1C(=O)Cc1ccc2c[nH]nc2c1 390833878 OISCCIUAFSONDG-OAHLLOKOSA-N 346.456 1.923 0 40 EDAB CCOc1ccccc1C(=O)NCCn1nc2c(cc1=O)CCC2 575606174 DZQOUKQLTMDRKO-UHFFFAOYSA-N 327.384 1.561 0 40 EDAB COc1cc(C(=O)N2CC[C@@](O)(COc3cccc(F)c3)C2)ccn1 585275882 HVVAJPIGIWBBCP-SFHVURJKSA-N 346.358 1.885 0 40 EDAB CCCCC[C@]1(O)CCN(C(=O)/C=C/c2c(C)nn(C)c2C)C[C@@H]1O 585289185 FVBQQAWEPRJBHQ-ZERCDLRSSA-N 349.475 1.955 0 40 EDAB CN(C)c1cccc(CC[C@H]2CCCCN2S(=O)(=O)N(C)C)n1 585178907 LGJCIFLCPRXFFQ-OAHLLOKOSA-N 340.493 1.741 0 40 EDAB Cc1cc(C(=O)NC2CCN(C(=O)[C@H](C)n3cncn3)CC2)c(C)o1 589391379 JKJCBOKVOZCTHI-LBPRGKRZSA-N 345.403 1.470 0 40 EDAB CNC(=O)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cccn2C1 585099252 YWLWLZISNOYMEJ-OAHLLOKOSA-N 341.411 1.985 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)Cc2ccc(N3CCCC3=O)cc2)[C@@H]1O 585292099 XFPHVWUMKGCZGO-NUJGCVRESA-N 334.416 1.020 0 40 EDAB C[C@@H](N(C)CC(=O)NCc1ccc(OCC(N)=O)cc1)C(C)(C)C 52557688 QUPMUGYOKKNTQC-CYBMUJFWSA-N 335.448 1.533 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2cncnc2C)c1 65446956 NIAYYALZOLQXGS-UHFFFAOYSA-N 348.428 1.110 0 40 EDAB Cc1cc(NC(=O)CN2CCN(c3ccccc3O)CC2)n(C)n1 95946817 FYAXPFRDVAARKI-UHFFFAOYSA-N 329.404 1.195 0 40 EDAB C[C@@](O)(CC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 97059351 IPYJGCYTBOUTCN-IUODEOHRSA-N 344.333 1.564 0 40 EDAB COc1ccnc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 664182446 JLJQYSVWUDPEOF-OKILXGFUSA-N 338.367 1.107 0 40 EDAB O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccn(CCn2cccn2)n1 563935140 FAGQBXRSFARMFP-UHFFFAOYSA-N 339.403 2.413 0 40 EDAB c1ccc(CN2C[C@@H]3[C@@H](CC[C@H]3NCCN3CCOCC3)C2)cc1 195577904 XLPNKMBUYSNUTG-XUVXKRRUSA-N 329.488 1.819 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](CN[C@@H]2C(=O)NCC2(C)C)C2(CC2)C1 1615001057 KPJGYSYBMRPNDM-QWHCGFSZSA-N 337.464 1.748 0 40 EDAB C[C@@H]1CCC[C@H](CS(=O)(=O)N2CCC[C@H](N3CCNC3=O)C2)C1 1615613743 JUNMFIRCEOERKY-ILXRZTDVSA-N 343.493 1.632 0 40 EDAB CN(C)[S@](C)(=O)=NCc1ccc(NC(=O)C2(O)CCC2)cc1 1616037809 PSHLROMCMXISDC-JOCHJYFZSA-N 325.434 1.615 0 40 EDAB Cn1ccnc1C1(O)CCN(CC(=O)Nc2ccc(F)cc2)CC1 12114364 QNRKYCGGYIRFQJ-UHFFFAOYSA-N 332.379 1.481 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)N1CCCCC1 12146209 GZPQLGYNGFWLAW-INIZCTEOSA-N 341.411 1.650 0 40 EDAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCn2c(nnc2C2CC2)C1 12158680 JYBPHYQDNGNONM-UHFFFAOYSA-N 328.420 1.843 0 40 EDAB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2ccco2)C3)cc1 12346302 FYVXZGUKYGTPTQ-INIZCTEOSA-N 339.351 1.939 0 40 EDAB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CC(C)C)C3)cc1OC 12346513 GNGCHISJLJRGJX-INIZCTEOSA-N 345.399 1.810 0 40 EDAB Cc1cc(C)n2nc(C(=O)O[C@H](C)C(=O)Nc3cc(C)on3)nc2n1 12984017 IRXQMIZGYKDVLY-SNVBAGLBSA-N 344.331 1.222 0 40 EDAB CS(=O)(=O)c1snnc1[C@H]1CCCN(Cc2ccccn2)C1 19573261 COVOHNJTBUTQLH-NSHDSACASA-N 338.458 1.716 0 40 EDAB O=C(NC1CCOCC1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888853711 WEBWCNAZHSRYIQ-CYBMUJFWSA-N 346.431 1.943 0 40 EDAB O=C([C@@H]1CN(c2ncccc2C(F)(F)F)CCO1)N1CCOCC1 1889096255 OJZFJTHNIGOFOY-LBPRGKRZSA-N 345.321 1.164 0 40 EDAB NC(=O)COc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1 24711318 QXQYLNXXCWHCOE-UHFFFAOYSA-N 336.351 1.989 0 40 EDAB Cc1ccccc1C(=O)NCCC(=O)N1CCN(C(=O)C(C)C)CC1 25026221 RPVIXIPEUHIRTP-UHFFFAOYSA-N 345.443 1.442 0 40 EDAB Cc1ncnc(OCC2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)c1C 1776001525 XZAQPNWONSGDCO-OAHLLOKOSA-N 346.431 1.237 0 40 EDAB CCCN1CCO[C@@]2(COCCN(C(=O)c3ccccc3C)C2)C1 1565542016 BCKAAZZLLFNFCR-IBGZPJMESA-N 332.444 1.948 0 40 EDAB Cc1cc([C@H](O)CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)c(C)o1 1565520474 UFPFVKDLVQQWKV-MRXNPFEDSA-N 345.399 1.751 0 40 EDAB O=C(NC1CC1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 424178 KFRRNGBXJZXFPO-UHFFFAOYSA-N 335.363 1.630 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@H]2CCCO2)ccc1N1CCCC1=O 10220943 RQEWIABYBGNPCI-CQSZACIVSA-N 345.399 1.356 0 40 EDAB O=C(Nc1ccc(N2CCN(c3ncncc3F)CC2)cn1)C1CC1 2298047600 JZCNGQGNFJOVJT-UHFFFAOYSA-N 342.378 1.686 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)c3ccc(=O)[nH]c3)c2O1 40074740 JYIQXLVFGIEQIS-UHFFFAOYSA-N 328.368 1.897 0 40 EDAB CC(C)CNC(=O)c1nsc(C(=O)NC[C@H]2CCCO2)c1N 67334963 JBDDPTJVUFVQGF-SECBINFHSA-N 326.422 1.020 0 40 EDAB Cc1ccc(N2CCCN(C(=O)COc3ccccc3)CC2)nn1 69493458 BXSGQLASRIAJAR-UHFFFAOYSA-N 326.400 1.903 0 40 EDAB COc1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)cn1 40489732 CDIRVJULZNKZIW-UHFFFAOYSA-N 343.383 1.944 0 40 EDAB CC1CCN(S(=O)(=O)N2CCC[C@H]2c2nnc3ccccn23)CC1 40496155 AVDLGSSMZPKCSY-AWEZNQCLSA-N 349.460 1.843 0 40 EDAB Cc1c(Br)cnn1CC(=O)NCCCN1CCCC1=O 2781458 NRHNGJJTXBFIPS-UHFFFAOYSA-N 343.225 1.083 0 40 EDAB C[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)N1C[C@@H](C)O[C@H](C)C1 40512864 KTMPLCUYTWSHDW-RRFJBIMHSA-N 345.447 1.438 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1cc(-c2ccccc2)on1 40554797 RUUNHXLLGQLGDY-UHFFFAOYSA-N 331.353 1.767 0 40 EDAB COc1ccc([C@H]2[C@@H]3[C@H](C)NC(=O)N(C)[C@H]3NC(=O)N2C)c(OC)c1 4023670 IVGBQRCBJJPBGS-WHLNNUNGSA-N 348.403 1.386 0 40 EDAB CN(CC(=O)NCc1ccc(OCC(N)=O)cc1)C1CCCCC1 51127895 HZLMBAMOOZCKDQ-UHFFFAOYSA-N 333.432 1.431 0 40 EDAB Cc1ccccc1-c1nnn(CC(=O)Nc2ccc3c(c2)C(=O)OC3)n1 11690455 DLNZFPWYNPMSLE-UHFFFAOYSA-N 349.350 1.958 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 4090477 SGHPRHVRHUWVMB-GGXPGOJBSA-N 338.363 1.577 0 40 EDAB Cc1cc(C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)on1 7226815 UAAXVIKMRGKTJZ-UHFFFAOYSA-N 343.339 1.905 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCc1nnnn1-c1c(C)cccc1C)CC2 71879314 HJHSPFBSLHXZMV-AWEZNQCLSA-N 338.419 1.284 0 40 EDAB Cn1cncc1C(=O)Nc1ccc(OC(=O)c2ccnn2C)cc1 381100 JCYVCIKUFYHPAA-UHFFFAOYSA-N 325.328 1.625 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)[C@@H]1CCCCN1S(C)(=O)=O 46406310 WLLFHLITTIOSHV-ZDUSSCGKSA-N 329.422 1.064 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)nc1 32841579 ZCQTUZFMBQYUEQ-YVEFUNNKSA-N 330.388 1.829 0 40 EDAB Cn1c(=O)c2cc(C(=O)NCCC3=CCCCC3)cnc2n(C)c1=O 32902008 WIRWUZWVLYWRSV-UHFFFAOYSA-N 342.399 1.253 0 40 EDAB CCNC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O 22251719 VMDFDZGEAVPLSB-UHFFFAOYSA-N 330.406 1.239 0 40 EDAB Cc1cc(N2CCOCC2)ccc1N[C@@H](C)C(=O)N1CCOCC1 46835090 ZCFATRUJSKKEHM-HNNXBMFYSA-N 333.432 1.491 0 40 EDAB COCCNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O 2809786 JHPLWMFQDIWXDK-UHFFFAOYSA-N 340.379 1.733 0 40 EDAB NC(=O)C1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 526619 ZDOCUQFRNAKBIY-UHFFFAOYSA-N 340.427 1.250 0 40 EDAB biogenic CS(=O)(=O)NC1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1 108529284 CWSLDSROUCKWSS-UHFFFAOYSA-N 340.420 1.760 0 40 EDAB O=C(CNC(=O)c1ccc(-n2cccc2)cc1)NCC(F)(F)F 71804602 JXTGIYLMUWIATC-UHFFFAOYSA-N 325.290 1.886 0 40 EDAB COC(=O)c1cc(C)sc1NC(=S)NCCN1CCOCC1 22248113 MTQLHPHRXBNZTO-UHFFFAOYSA-N 343.474 1.462 0 40 EDAB O=S(=O)(NCCN1CCCC[C@H]1Cn1cncn1)c1ccccc1 71876401 GPABIUBIKALUKB-HNNXBMFYSA-N 349.460 1.111 0 40 EDAB CCN1CCO[C@H](CN2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)C1 75129531 MJFDJSRFUOYDEX-HOCLYGCPSA-N 349.479 1.346 0 40 EDAB CN(C)CCN[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)O 22791896 KFTHKNKZMJUJFQ-NSHDSACASA-N 348.230 1.926 0 40 EDAB O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1O 104040378 ZDCDOZFPRHZADM-UOVKNHIHSA-N 341.367 1.321 0 40 EDAB aggregator CCc1nc(COC(=O)c2cc(S(N)(=O)=O)ccc2F)cs1 22988214 GLKSTDOTDRKSFM-UHFFFAOYSA-N 344.389 1.849 0 40 EDAB C[C@@H](NC(=O)c1cccs1)C(=O)N(Cc1nccn1C)C1CC1 54039154 HKILOOSQRIFPCZ-LLVKDONJSA-N 332.429 1.791 0 40 EDAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCC[C@@H]3C(=O)O)ccc12 3191848 FHLCGESJLLXQDI-BXUZGUMPSA-N 345.351 1.944 0 40 EDAB CN(C)[C@@H](CNC(=O)COc1cccc(C(N)=O)c1)c1cccs1 55111878 IFNDKWUWSIPAEI-AWEZNQCLSA-N 347.440 1.645 0 40 EDAB C[C@@H]1CCCN([C@H](C)CNS(=O)(=O)c2ccc(C(N)=O)cc2)C1 106072693 KAJHBLPSPKIBQG-CHWSQXEVSA-N 339.461 1.184 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)C[C@H](NC(C)=O)c1ccccc1 24724100 UPCYKEFKMBJPLZ-HOTGVXAUSA-N 334.416 1.958 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2cccnc2)NC(=S)N[C@@]1(O)C(F)(F)F 1317691 RSLVVUUOPBHYPT-AUTRQRHGSA-N 349.334 1.031 0 40 EDAB Cn1cc(CCC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cn1 55304984 HEHUQESZJPANGZ-UHFFFAOYSA-N 334.763 1.976 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2nccnc2c1 55443217 BEXIICPHHMWSAO-HNNXBMFYSA-N 348.428 1.773 0 40 EDAB Cc1cc(NC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n(C)n1 43435155 XZRXPNXQOCIJPH-SNVBAGLBSA-N 337.405 1.259 0 40 EDAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2ncnn2C)C1 107065817 LUPDVZCGOPUDEG-GDBMZVCRSA-N 342.447 1.792 0 40 EDAB CCCCN(C)S(=O)(=O)N[C@H]1CCCN(c2ncccn2)C1 56099672 ITMNSIDCIIVBGE-ZDUSSCGKSA-N 327.454 1.012 0 40 EDAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1F 25322900 NVFWOZQWTVEQNZ-ZWNOBZJWSA-N 344.408 1.436 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccco1 44868914 FSWVYVUJRNCGBB-CYBMUJFWSA-N 329.356 1.643 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N(C)CCOc1ccc(Cl)cc1 12778109 JXEMWLHEKREVBX-NSHDSACASA-N 327.812 1.885 0 40 EDAB CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1 2136509 QTTKEVSMGLWJHO-UHFFFAOYSA-N 343.474 1.796 0 40 EDAB Cc1cc(NC(=O)CCN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)no1 44949123 PFGPWGLRJHIVKL-GJZGRUSLSA-N 337.420 1.972 0 40 EDAB C[C@H](NC(=O)[C@@H](C)Sc1ccc(Br)cc1)C(N)=O 48294360 NFPIMTHSZVNOKP-JGVFFNPUSA-N 331.235 1.920 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)c2cc(OC)c(OC)cc2C)CCO1 28036047 MIYGGICGJZZNTA-GFCCVEGCSA-N 329.418 1.812 0 40 EDAB CN(C)c1ccc(NC(=O)NC[C@H](O)COc2cccc(F)c2)cn1 48326487 YZYQLLQCVGZKET-AWEZNQCLSA-N 348.378 1.848 0 40 EDAB O=C(/C=C/c1ccccc1OC(F)F)NCCN1CCOCC1 48334017 JOHOIUPOTRVMGU-AATRIKPKSA-N 326.343 1.750 0 40 EDAB CC(C)CNC(=O)[C@@H](C)NCc1nnc2n1CCC[C@H]2C(F)(F)F 89840228 XPDNURNEQURAHB-GHMZBOCLSA-N 347.385 1.968 0 40 EDAB CCO[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)c(C)cc2C)C1 63244585 MYTAPCDWHXQOHH-CYBMUJFWSA-N 340.445 1.592 0 40 EDAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCc2ccccc2)[C@H]3C1=O 5163566 YYCUEGFWOZNMGC-PASDCYSWSA-N 327.380 1.920 0 40 EDAB COc1cccc(C(=O)NCCNC(=O)c2cccc(OC)c2)c1 6248409 ABPAQSCLXKJBJS-UHFFFAOYSA-N 328.368 1.864 0 40 EDAB C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1cnn(CC(N)=O)c1 65410903 GOSYXEKGZRSBTK-JTQLQIEISA-N 335.795 1.775 0 40 EDAB O=C([C@@H]1COCCO1)N1CCN(Cc2cccc3ccccc23)CC1 65491111 OWBHRTDXEMXNBT-IBGZPJMESA-N 340.423 1.899 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)NCc2ccc(C)n2C)c1 65440481 XBHDSGFDSDRNNL-MRXNPFEDSA-N 347.415 1.884 0 40 EDAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 65401477 SHQAVTXZSPSQKD-ACJLOTCBSA-N 344.367 1.795 0 40 EDAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)N1CCc2ccccc2C1 81813547 JONYHOQSOGXXJR-DYVFJYSZSA-N 339.443 1.984 0 40 EDAB Cn1cnnc1C1CCN(C(=O)COCCc2ccccc2)CC1 69323778 PGMGQYOWPOTLCU-UHFFFAOYSA-N 328.416 1.780 0 40 EDAB CC1CCN(C(=O)CCNS(=O)(=O)c2cccnc2Cl)CC1 65547364 BQQIMXJXVBAROW-UHFFFAOYSA-N 345.852 1.662 0 40 EDAB CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1)C1CC1 65531482 QWRXXSFVQFZWKH-ZDUSSCGKSA-N 344.433 1.510 0 40 EDAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC2CC2)C1=O 14140749 YWGYDTPQABXZSV-KRWDZBQOSA-N 327.340 1.478 0 40 EDAB Cc1sc(-c2ccc(F)cc2)nc1-c1c(N)n(C)c(=O)n(C)c1=O 14171662 NJXXKXKSXMXYAS-UHFFFAOYSA-N 346.387 1.904 0 40 EDAB CC(C)(C)c1ccc(CCNC(=O)CN2CCC(=O)NC2=O)cc1 78876171 NXGWMASALALFCW-UHFFFAOYSA-N 331.416 1.585 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CCOc1ccc(F)cc1 14252122 QRKLWVRNDAPNDV-NSHDSACASA-N 334.399 1.731 0 40 EDAB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1cccnc1 5521137 BSYRIKLLNMWMRH-MRXNPFEDSA-N 347.440 1.763 0 40 EDAB CCS(=O)(=O)NCCNC(=O)N[C@H]1C[C@@H]1c1ccccc1Cl 69619301 DGEBCQIFTUTSFP-YPMHNXCESA-N 345.852 1.434 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CCc3ccncc3)CC2)C1 66566549 WODRPXSRSYSTDB-IEBWSBKVSA-N 344.503 1.937 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 66845335 VWMVSZSRLLHNFR-RNCFNFMXSA-N 343.786 1.697 0 40 EDAB Cc1ccc(C(=O)N2CCCN(Cc3cscn3)CC2)c(=O)n1C 69666535 KICYJAGVGHZWJI-UHFFFAOYSA-N 346.456 1.498 0 40 EDAB CN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 72237878 ORLQGGPFVRPZQW-IRXDYDNUSA-N 328.368 1.837 0 40 EDAB Cc1nc(CN2CCC[C@H](NCc3nnc(-c4ccco4)o3)C2)no1 69776609 MIGQGHXNVMVSES-LBPRGKRZSA-N 344.375 1.775 0 40 EDAB COCCNC(=O)NC(=O)CNc1ccc(Br)cc1 15288420 ZYJSRCPLLIJLAB-UHFFFAOYSA-N 330.182 1.333 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)NCc1ccc(F)cc1 69706115 QATIFKPRHUSFJC-MSOLQXFVSA-N 347.434 1.917 0 40 EDAB Cc1cc(OCC(=O)N2CCC[C@@H]2CS(N)(=O)=O)ccc1Cl 69774217 UYVATVDAXFLNSW-LLVKDONJSA-N 346.836 1.307 0 40 EDAB CC(C)n1cc(CN2CCCN(C(=O)Cn3cccn3)CC2)cn1 69815214 JFDQDOKNUJIUSO-UHFFFAOYSA-N 330.436 1.395 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1 69844431 RIDJMCXGTJPGKI-UHFFFAOYSA-N 346.406 1.540 0 40 EDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCCOc1ccccc1 69925048 STUZAXANONIARC-MRXNPFEDSA-N 343.431 1.185 0 40 EDAB CNC(=O)NC(=O)COC(=O)[C@H]1CCCCN1Cc1cccc(C)c1 69982524 KCKICLHDYMSYMN-OAHLLOKOSA-N 347.415 1.348 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)CN(C)CC1CCN(CCO)CC1 69951317 KWZPXNSJHBBATG-DOTOQJQBSA-N 325.497 1.317 0 40 EDAB COc1cccc(COCC(=O)N2CCN(CC(C)(C)O)CC2)c1 69930027 MBPYKIUOYQIXHF-UHFFFAOYSA-N 336.432 1.127 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)c2c[nH]c3ccc(OC)cc23)CC1 19939813 AMSQDMRRLDRAGQ-QGZVFWFLSA-N 347.415 1.984 0 40 EDAB CC(C)(C)S(=O)(=O)CCNC(=O)c1ccc(Br)o1 71904053 LFNXJRUDVKPAKO-UHFFFAOYSA-N 338.223 1.985 0 40 EDAB CON(C)C[C@H](O)Cn1cc(Nc2nc3cc(C)ccc3o2)cn1 71915184 KBXLIFKKBUHOHP-ZDUSSCGKSA-N 331.376 1.930 0 40 EDAB COc1cc(CC(=O)N2CC[S@@](=O)C[C@@H]2C)cc(OC)c1OC 71916606 ZWHSVQVHLXTVCM-RULNZOCKSA-N 341.429 1.234 0 40 EDAB O=S(=O)(N[C@H]1CCN(CC2CC2)C1)c1cccc2cccnc12 71909273 PNIJZHUQQIKXBK-HNNXBMFYSA-N 331.441 1.997 0 40 EDAB CCOCCN1CCN(C(=O)c2csc(COC)n2)C[C@H]1C 89986992 FRVUPJTZMCIJNL-GFCCVEGCSA-N 327.450 1.472 0 40 EDAB Cc1c(CC(=O)NC[C@@H](C)O)c(=O)oc2cc(O)c(Cl)cc12 9306779 FYBKBSKGXXDZHF-SSDOTTSWSA-N 325.748 1.500 0 40 EDAB CC(=O)N1CCN([C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2C)CC1 76055604 ZOQHPCLSMIIJBF-ACJLOTCBSA-N 337.414 1.949 0 40 EDAB Cc1cc(NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)ccc1C(N)=O 84089981 XGEFTUHEINXDGL-CYBMUJFWSA-N 341.415 1.924 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)CCCn2cncn2)n1 72253038 UMLNHOLINUGXHQ-INIZCTEOSA-N 330.436 1.953 0 40 EDAB CN1CCO[C@@H](CNC[C@H](O)c2ccc(Br)cc2)C1 72254039 LCCRUAIGTQBCRT-KBPBESRZSA-N 329.238 1.403 0 40 EDAB CC(C)c1nc([C@H]2CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)no1 72232121 QMNNIOUESFASOS-MNOVXSKESA-N 329.422 1.332 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)N(Cc1noc(C(C)C)n1)CC2 72296453 LGGVFVRZVBDWEN-UHFFFAOYSA-N 336.417 1.664 0 40 EDAB O=C(NC[C@@H]1CCOC1)Nc1cccc(S(=O)(=O)C(F)F)c1 72301247 FMTHMLWOEUYMHE-VIFPVBQESA-N 334.344 1.841 0 40 EDAB Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)c(=O)[nH]1 97372186 RBUMVMFDCNKNSM-CQSZACIVSA-N 345.786 1.650 0 40 EDAB Cc1cc(=O)[nH]cc1C(=O)N1CCN(CCc2ccc(F)cc2)CC1 95413047 KWFHQBISRZMYGD-UHFFFAOYSA-N 343.402 1.823 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc[nH]c(=O)c1 95449713 HWLHWWGDADYYDU-CYBMUJFWSA-N 349.749 1.703 0 40 EDAB O=C(Cc1ccc(F)cc1)NC1CCC(N2C(=O)CCC2=O)CC1 95440336 AKSRXBUVWCDPQI-UHFFFAOYSA-N 332.375 1.945 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cn4cccnc4n3)CCO2)n1 84759005 VQOXZBNXZKWQDD-LBPRGKRZSA-N 341.375 1.014 0 40 EDAB O=C(Cn1nc(-c2cccs2)ccc1=O)NCCc1ccccn1 79474110 NWCHRBNDJLEVGO-UHFFFAOYSA-N 340.408 1.726 0 40 EDAB O=C(O)CN1N=C(c2nc(-c3cccc(Cl)c3)no2)CCC1=O 98212096 HSRNKXSNMSVYLD-UHFFFAOYSA-N 334.719 1.801 0 40 EDAB Cc1oc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1S(N)(=O)=O 88590022 UMOVXBPZAUUABY-CQSZACIVSA-N 348.424 1.865 0 40 EDAB Cc1cc(CN2CCN(CC(=O)NC3CC3)CC2)c2ccccc2n1 74329547 CUMIBTDZWOCOPQ-UHFFFAOYSA-N 338.455 1.939 0 40 EDAB NC(=O)Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O 67255504 TWMXSSTXADDLGE-UHFFFAOYSA-N 349.803 1.322 0 40 EDAB O=C(NCCCO)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409147744 VTWPOYVAXKGAKC-UHFFFAOYSA-N 348.384 1.454 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)c(C)c1 548529636 KWOOEZSYSXWBLZ-CHWSQXEVSA-N 327.402 1.462 0 40 EDAB Cc1cnc(C(=O)N2Cc3cncn3[C@@H](CN3CCCCC3)C2)cn1 306126562 DYZAUXZRHVCVIP-INIZCTEOSA-N 340.431 1.665 0 40 EDAB CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2ncccc2Cl)CC1 515173525 FVOICJRMCJFNMT-NEPJUHHUSA-N 336.823 1.108 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)CCn1cnnn1)c1nc2ccccc2[nH]1 524732826 QPOQMCORBGTGQP-ABAIWWIYSA-N 327.392 1.843 0 40 EDAB O=C(CN1CCn2c(nnc2-c2ccccc2)C1)NCc1ccco1 76183377 HCNXVQUJICGTAN-UHFFFAOYSA-N 337.383 1.670 0 40 EDAB COc1nscc1CN1C[C@H]2CN(C(=O)[C@@H]3CCCO3)C[C@H]2C1 1048668151 BOWHZCXVXLZZGL-SCRDCRAPSA-N 337.445 1.221 0 40 EDAB CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OCC)c(C)c1 30320983 GXJBQSYMDLTUSX-UHFFFAOYSA-N 328.434 1.540 0 40 EDAB COc1ccc(Oc2cncc([C@H]3CCCN3CC(N)=O)n2)cc1 72383619 QNFPZQMCSDIYQH-OAHLLOKOSA-N 328.372 1.900 0 40 EDAB CCS(=O)(=O)C1CN(C(=O)Nc2ccnn2[C@H](C)C2CC2)C1 566312292 OVYVMLQWIGAUMK-SNVBAGLBSA-N 326.422 1.505 0 40 EDAB CC[C@@H](C(=O)N[C@H](C)COC)N(c1ccc(F)cc1)S(C)(=O)=O 37021591 YTIVSGMGTZFAGT-RISCZKNCSA-N 346.424 1.521 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)CC1 78446310 NVDCMEOMCFGCLP-HUUCEWRRSA-N 334.420 1.914 0 40 EDAB COC(=O)C12C[C@@H]3C[C@@H](CC(NC(=O)c4ccc[nH]c4=O)(C3)C1)C2 44226247 AYYAASOVTADQMU-CCHVVGMOSA-N 330.384 1.617 0 40 EDAB CCc1ccc(C(=O)NCc2ccnc(N3CCOCC3)n2)cc1 224217332 ATIHJTZLNMQCHO-UHFFFAOYSA-N 326.400 1.806 0 40 EDAB COc1ccc(Cl)cc1NC(=O)Cn1cc(C(=O)O)ccc1=O 41670495 DGQYNKUILZBUNS-UHFFFAOYSA-N 336.731 1.847 0 40 EDAB COCCNC(=S)Nc1nc(OC)cc(N2CCC[C@@H](C)C2)n1 225897043 BGXGQHDLQPCGFT-LLVKDONJSA-N 339.465 1.654 0 40 EDAB C[C@@H](C(=O)NCCO)N(Cc1ccccc1)C(=O)Cc1ccccc1 222760544 JGSZAIOVUQSABK-INIZCTEOSA-N 340.423 1.755 0 40 EDAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCc2nn(C)c(=O)cc2C1 225788937 SFCMNOKNVAKHDZ-GFCCVEGCSA-N 347.802 1.730 0 40 EDAB Cn1cc([C@H]2CC(=O)NC23CCN(C(=O)c2cccnc2)CC3)cn1 96199796 BBMMEHAHLVIXKX-OAHLLOKOSA-N 339.399 1.094 0 40 EDAB Cc1nc(CO[C@@H]2CN(C(=O)N(C)C)[C@@H]3CCCO[C@H]23)cs1 96042502 UZSFZLFYJIESNM-MCIONIFRSA-N 325.434 1.882 0 40 EDAB COc1cc(N2C[C@H]3[C@H](Cc4nc(C)no4)COC[C@H]3C2)ncn1 96040848 AIHVZRUTAVLJNC-UPJWGTAASA-N 331.376 1.118 0 40 EDAB Cc1cnc(N2CCC3(CC2)C[C@@H](C(=O)N2CCOCC2)CO3)nc1 96224895 ZLDLAFISRDGEPK-OAHLLOKOSA-N 346.431 1.019 0 40 EDAB CCS(=O)(=O)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1 96202228 IWZQJXMHCFCDOB-CQSZACIVSA-N 345.490 1.017 0 40 EDAB O=C(Nc1ccccc1)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96105255 HDCHXJRSKYGHBL-CQSZACIVSA-N 349.398 1.912 0 40 EDAB Cc1ccc(CCC(=O)NCc2cccnc2N2CCN(C)CC2)o1 97212743 ASRYCCKAEQRNRU-UHFFFAOYSA-N 342.443 1.984 0 40 EDAB O=C(NCc1ccco1)[C@H]1CN(Cc2ccccn2)C[C@H]2OCC[C@H]21 96041180 BXWANFGXODONEN-OKZBNKHCSA-N 341.411 1.828 0 40 EDAB Cc1nnc(C[C@@H]2OC[C@H]3CN(C(=O)Cc4ccccn4)CC[C@@H]23)o1 96208454 KCRPEUIIHDUTBZ-BMFZPTHFSA-N 342.399 1.422 0 40 EDAB O=C(NC[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21)c1cnccn1 96185350 DVJICFRSOXMRLX-INMHGKMJSA-N 342.399 1.337 0 40 EDAB NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 95432117 IDJUCLYEQQSFEO-SMDDNHRTSA-N 338.408 1.417 0 40 EDAB O=C(N1CCOCC1)N1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 96186458 KZZDAUYHGVUUMJ-HOTGVXAUSA-N 329.400 1.709 0 40 EDAB CCS(=O)(=O)N1CCC2(CC[C@H](COC)N2CC2CC2)CC1 96207255 YFCGXVIDVYULQY-OAHLLOKOSA-N 330.494 1.692 0 40 EDAB O=C([C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@@H]12)N1CCC(F)CC1 96038630 GWEABCBWZJJOCW-KBRIMQKVSA-N 336.407 1.935 0 40 EDAB CN(C)Cc1cncc2c1CCN(S(=O)(=O)c1cccs1)C2 96189453 NACKOBJFGOTLKG-UHFFFAOYSA-N 337.470 1.952 0 40 EDAB COc1c(C(=O)N2CCOCC2)nnn1Cc1ccccc1Cl 96183556 VGPNKOHKUXGYSQ-UHFFFAOYSA-N 336.779 1.461 0 40 EDAB CCS(=O)(=O)N1CC[C@@]2(CC(=O)N(Cc3csc(C)n3)C2)C1 96239378 QVQYFMMFRZHJNU-AWEZNQCLSA-N 343.474 1.226 0 40 EDAB Cc1cccc(CN2C[C@@H]3CN(C(N)=O)CCC[C@]3(C(=O)O)C2)n1 96185247 KPWQBAXQWSDRJI-DYVFJYSZSA-N 332.404 1.067 0 40 EDAB Cc1noc(C)c1CN1C[C@@H]2C[C@H](C1)CN2C(=O)c1cccn1C 96058495 BXISWVCNMIZNCW-CABCVRRESA-N 328.416 1.976 0 40 EDAB COCCN1CC[C@H]2C[C@@H](C(=O)N(C)Cc3ccccn3)O[C@H]2C1 96041035 UIVFWZMTUXPXFS-XIRDDKMYSA-N 333.432 1.166 0 40 EDAB O=C(CCCn1cncn1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 96456005 QNIHPBKDHXVICU-AWEZNQCLSA-N 347.806 1.633 0 40 EDAB COC[C@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1ccc(C)cc1)C2 96219914 JNEPLFABZDTVNL-NVXWUHKLSA-N 338.473 1.584 0 40 EDAB O=C(C[C@H]1CN(Cc2ccco2)Cc2ccnn21)N1CCCCO1 247871896 RFHJXKOYCHFQKF-HNNXBMFYSA-N 330.388 1.977 0 40 EDAB O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617698 GJGSZPNHPLETHL-KRWDZBQOSA-N 338.371 1.114 0 40 EDAB COc1cc(Cl)c(NC(=O)NCCc2nnc(N)o2)cc1C 583651065 GTNISYNBFIPEDW-UHFFFAOYSA-N 325.756 1.986 0 40 EDAB Cn1cnnc1[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc32)CCO1 583623942 YYNAIGPYAQVCJD-DZGCQCFKSA-N 327.388 1.238 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCC[C@@H](c2ccnc(O)n2)C1 257332066 XVPCLHZTLRQPAM-LLVKDONJSA-N 337.376 1.890 0 40 EDAB CCc1cc(C(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)no1 257259822 LAFDZHXDLLPFHZ-CHWSQXEVSA-N 329.347 1.153 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2snnc2C(C)C)n1 257300183 RTFUHTKIKXYDMH-NSHDSACASA-N 349.416 1.679 0 40 EDAB CO[C@@H]1CCCC[C@@H](NC(=O)Cc2c(C)nc3ccccn23)[C@H]1O 257329993 XMHZPGZMXZKCSB-DDUZABMNSA-N 331.416 1.620 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1c1nccnc1-c1ccc(C(=O)O)cc1 257248228 JCSVRHCSVUPJAQ-ZDUSSCGKSA-N 347.396 1.938 0 40 EDAB O=C(CCCn1cccn1)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257334243 YFDKDYHHTPXSPM-JFIYKMOQSA-N 329.400 1.750 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@H](c2cccc(N)n2)C1 257285913 PJKHBYNXOHQTJI-OAHLLOKOSA-N 329.404 1.157 0 40 EDAB CN1C(=O)C2(CCN(c3ncccn3)CC2)C[C@H]1Cc1ccccn1 257247965 JBJONOMAQOYRPA-MRXNPFEDSA-N 337.427 1.932 0 40 EDAB NS(=O)(=O)c1ccccc1N1CCN(C(=O)C2=CCCCC2)CC1 584908829 VHQFWLMLADVDQX-UHFFFAOYSA-N 349.456 1.483 0 40 EDAB CN(C)c1nc([C@@H]2CCN(C(=O)c3ccncc3)C2)cn2nccc12 257310950 UHHPYYTUPLPYIX-CQSZACIVSA-N 336.399 1.820 0 40 EDAB CN(c1ccn(C)n1)S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 585115582 IZOXCDWUZXSFJT-UHFFFAOYSA-N 344.437 1.053 0 40 EDAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2nc3cnccn3n2)cc1 585129298 FBVGSCAFOVFLQS-NSHDSACASA-N 331.401 2.439 0 40 EDAB CN(CC(=O)N1CCCc2cc(F)c(F)c(F)c21)S(C)(=O)=O 585124668 MCEVMHMXPBGEMC-UHFFFAOYSA-N 336.335 1.275 0 40 EDAB Cc1cc(CCNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc(C)c1O 252496485 PJIYUEHXCWOAEU-IRXDYDNUSA-N 347.459 1.666 0 40 EDAB COCCOc1cccc(C(=O)NC2CC(N3CCOCC3)C2)c1 585123764 FZFTWOFZODLIMU-UHFFFAOYSA-N 334.416 1.305 0 40 EDAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2C(=O)O)cc1 263400372 FCECSJJYGCQRJQ-AWEZNQCLSA-N 339.413 1.487 0 40 EDAB COc1ccc(NC(=O)[C@]23C[C@H]2CCN(C)S3(=O)=O)cc1Cl 260826471 BGKVHZLJNMQHHL-OTYXRUKQSA-N 344.820 1.711 0 40 EDAB O=S(=O)(c1ccc(F)cc1F)N1CCN(C[C@@H](O)C2CC2)CC1 85467019 NPUWZAAILSVKEF-CQSZACIVSA-N 346.399 1.042 0 40 EDAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)/C=C/c2ccnn2C)C1 585289802 NVXHBIFDTDNADN-RUBBHVMPSA-N 330.432 1.683 0 40 EDAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N1CCO[C@H]3CCC[C@H]31)C2=O 56193696 ZHEPPGRDXOWUJG-CVEARBPZSA-N 342.395 1.761 0 40 EDAB CCC[C@@H](NC(N)=O)C(=O)Nc1ccc2[nH]nc(C(=O)OC)c2c1 63690018 RMVJHPSCSBZXST-LLVKDONJSA-N 333.348 1.125 0 40 EDAB CC1(C)COCCN1CCNS(=O)(=O)c1ccc(F)cc1F 69383405 QGSGOENHMQELRG-UHFFFAOYSA-N 334.388 1.354 0 40 EDAB Cc1cc(Cl)cc2c1N(C(=O)Cn1ccc(=O)n(C)c1=O)CCC2 71910403 HCLKPVZPCCDOLL-UHFFFAOYSA-N 347.802 1.488 0 40 EDAB CN1C(=O)COC12CCN(C(=O)Cc1csc(C3CC3)n1)CC2 1615592839 VMNZGXJEFIPQNX-UHFFFAOYSA-N 335.429 1.370 0 40 EDAB COC(=O)c1c(NC(=O)[C@@H](C)n2cncn2)c2ccccc2n1C 1615589045 VWNQICDLTXPDHF-SNVBAGLBSA-N 327.344 1.756 0 40 EDAB COCCNc1c(-c2ccc(OC)c(CO)c2)nc2cnccn12 12113867 VYAIVXXNGGJACG-UHFFFAOYSA-N 328.372 1.956 0 40 EDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCCCCCO 12898765 FUGUDINBVSIYEB-UHFFFAOYSA-N 345.399 1.000 0 40 EDAB biogenic COc1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1 13196896 MSDXSKLXIPUCJH-UHFFFAOYSA-N 337.353 1.578 0 40 EDAB CCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NCC)c1 16638518 VVLDAPIQAVRNGE-UHFFFAOYSA-N 328.434 1.913 0 40 EDAB CN1CCc2nc(C3CCN(C(=O)c4ccn(C)n4)CC3)ncc2C1 19290896 SKPYRTMKRVKFFB-UHFFFAOYSA-N 340.431 1.218 0 40 EDAB CCn1ncc(CN2CCc3nc4ccccc4c(=O)n3CC2)c1C 19523983 SEJASUNZFRBTIE-UHFFFAOYSA-N 337.427 1.980 0 40 EDAB CN(CCN1CCCCC1)C(=O)Cn1nnc(-c2ccccc2)n1 19657473 XVYLJSBTBLQUTB-UHFFFAOYSA-N 328.420 1.284 0 40 EDAB O=C(OCCS(=O)(=O)c1cccc[n+]1[O-])c1cccc(Cl)c1 153241 ZTBOUEVWMIBDHH-UHFFFAOYSA-N 341.772 1.604 0 40 EDAB Cc1cccn2c(=O)nc(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)nc12 4504162 PURNWYKSMSMLAC-RYUDHWBXSA-N 348.428 1.126 0 40 EDAB Cc1nc(C)n(CCNC(=O)CCN2Cc3ccccc3C2=O)n1 12195658 ZGKOUXOCKZYLBQ-UHFFFAOYSA-N 327.388 1.057 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1C 3516880 DJWCEZKHSQYVLS-UHFFFAOYSA-N 349.387 1.759 0 40 EDAB Cc1ccccc1OCC(=O)NCc1ccc(CS(N)(=O)=O)cc1 9112849 ZJMCPZFNCSOQKN-UHFFFAOYSA-N 348.424 1.479 0 40 EDAB Cc1cc(C)n(-c2cc(N3CCN(c4ncccn4)CC3)ncn2)n1 1888867049 HFCZPSXTLPUPNV-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB Cn1cnc2c(N3CCN(c4cc(C5CC5)ncn4)CC3)ncnc21 1888897182 FYXBTDHLWFPHJM-UHFFFAOYSA-N 336.403 1.357 0 40 EDAB COCCN1CC[C@@H](C2CCN(C(=O)C3CCN(C)CC3)CC2)C1 1039154840 HOUGTRZGZZBYJO-GOSISDBHSA-N 337.508 1.535 0 40 EDAB C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O 26418876 MFZGBRBBXOVNLG-ODSJRVHRSA-N 348.443 1.611 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)NCCc1ccc(F)cc1 35307268 ZWVUPIWRWZGHQJ-UHFFFAOYSA-N 343.406 1.097 0 40 EDAB O=C(c1ccnc(F)c1)N1CC[C@@H]2C[C@]21C(=O)NCc1cccnc1 2056226504 SIUUJGOGKKZKNT-RDTXWAMCSA-N 340.358 1.537 0 40 EDAB CCCn1c(S)nc2cc(C(=O)N3CCOCC3)ccc2c1=O 425369 SXZXCWSLNGEOLQ-UHFFFAOYSA-N 333.413 1.568 0 40 EDAB COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)c1 6050430 KENMKQYKHIVTAB-CQSZACIVSA-N 329.360 1.922 0 40 EDAB CN1C(=O)c2ccc(NC(=O)Cc3ccc4c(c3)OCO4)cc2C1=O 9521371 HZYBLDRTTQPSTL-UHFFFAOYSA-N 338.319 1.822 0 40 EDAB O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCc1ccccn1 13808008 ZCCBSEQWBLEYIW-UHFFFAOYSA-N 338.342 1.761 0 40 EDAB CCN1C[C@@]2(COCCN(C(=O)[C@]3(C)CC=CCC3)C2)OCC1=O 2055785617 RSLGGKOBYAJHFI-QZTJIDSGSA-N 336.432 1.209 0 40 EDAB CCn1cc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)cn1 12158518 CMZHLJAMNRWZFK-CABCVRRESA-N 331.347 1.983 0 40 EDAB CCN1CCC2(CC1)CN(C(=O)[C@H](C)N)Cc1cc(C)ccc1O2 12365627 BVSHBPKPMHEKMT-HNNXBMFYSA-N 331.460 1.918 0 40 EDAB O=C([C@H]1CCCNC1)N1CCC(O)(Cn2ccc3ncccc32)CC1 19346449 UFNMDUVZQXRXTR-HNNXBMFYSA-N 342.443 1.389 0 40 EDAB COc1cccc([C@@H](CNC(=O)c2nccnc2N)N2CCCC2)c1 22881183 ULHSYJHOZKDUCI-OAHLLOKOSA-N 341.415 1.634 0 40 EDAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2cccnc2S)CC1 30514928 VNACGXMYQJWZPV-UHFFFAOYSA-N 336.461 1.043 0 40 EDAB COc1cc(OC)c2[nH]c(C(=O)N3CCC(C(N)=O)CC3)cc2c1 40493485 IOHRNQNDKYIBQI-UHFFFAOYSA-N 331.372 1.523 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1cc(Cl)c2c(c1)OCCO2 40486238 NOEGZYAITYQYKF-UHFFFAOYSA-N 334.763 1.579 0 40 EDAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(F)cc1 36593890 WIHMYWCFPLIMJE-CQSZACIVSA-N 327.315 1.905 0 40 EDAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 69418177 LMGMPFLKVFZSFZ-ZWKOTPCHSA-N 340.427 1.604 0 40 EDAB Cn1ccnc1COc1ccc(C(=O)NCCN2CCOCC2)cc1 40539888 KOJLXBJGYWWSTB-UHFFFAOYSA-N 344.415 1.061 0 40 EDAB CCCn1nc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)ccc1=O 36829620 JEQAQZMNGZZJMU-OAHLLOKOSA-N 340.427 1.910 0 40 EDAB O=C(CSc1nncs1)NCCc1ccc2c(c1)OCCO2 11676193 RWHUZJYGUUEMGG-UHFFFAOYSA-N 337.426 1.760 0 40 EDAB COc1ccc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)cc1 6325696 RJAVSWIMXBRMIW-UHFFFAOYSA-N 328.434 1.624 0 40 EDAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc([N+](=O)[O-])o1 6843459 YGDUIOMCBMOHEN-NSHDSACASA-N 325.346 1.886 0 40 EDAB CCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 6957873 FDCOSIRYEQPEQZ-LLVKDONJSA-N 348.852 1.550 0 40 EDAB CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCC(N)=O 8327022 LOGHKQAEVCAMSY-LLVKDONJSA-N 330.812 1.463 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)c3cccnc3)CC2)C1=O 108526262 WHZHXUQYHQMGKE-SFHVURJKSA-N 331.416 1.573 0 40 EDAB COc1cc(C(=O)NCc2cccnc2N(C)C)cc2c1OCCO2 32688186 TZBVCALUXQXFSJ-UHFFFAOYSA-N 343.383 1.857 0 40 EDAB Cc1ccc(N2N=C(C(=O)NCc3cccs3)NCC2=O)cc1 32671974 MPLBGHHNFIADGO-UHFFFAOYSA-N 328.397 1.623 0 40 EDAB COc1cc2nc(CN3C[C@H](C)O[C@@H](C)C3)[nH]c(=O)c2cc1OC 21554746 QUMFPKPMFLDISL-QWRGUYRKSA-N 333.388 1.550 0 40 EDAB COc1ccc([C@H](O)CN2CCC(C(=O)NC3CC3)CC2)cc1F 52863788 AJLNULAPXHKJAF-MRXNPFEDSA-N 336.407 1.858 0 40 EDAB CC1CCN(CCNC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)CC1 46955874 OOMVIMXALQPMOJ-OAHLLOKOSA-N 345.443 1.649 0 40 EDAB COC(=O)c1ccc(=O)n(CC(=O)N2c3ccccc3C[C@H]2C)c1 22190573 PHOZQEFLTFLQHB-GFCCVEGCSA-N 326.352 1.613 0 40 EDAB CN(C(=O)c1cc(Cl)c2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 23027713 RDFKSGWIKSYSRJ-SECBINFHSA-N 331.777 1.328 0 40 EDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420173 PEVPQDRTQGOZAM-AHXJXLJNSA-N 348.374 1.413 0 40 EDAB O=C(NCCN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1)C1CCCC1 110582244 HWAYIUKFLRMZJE-RYQLBKOJSA-N 347.503 1.873 0 40 EDAB COc1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101054795 CDLYCZQEQLFGTO-DPDCMNJDSA-N 326.352 1.441 0 40 EDAB CC(C)CC[C@H](C)NC(=O)NCc1cccc(S(N)(=O)=O)c1 47649432 LKFZYSNOLXJKAX-LBPRGKRZSA-N 327.450 1.958 0 40 EDAB O=C(NCC[S@](=O)c1ccccc1)c1ccccc1-n1cnnn1 71893468 HITYRFQZEBBOIK-XMMPIXPASA-N 341.396 1.200 0 40 EDAB COc1cccc(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c1 19931700 CKSSTGAMOIRFMW-OAHLLOKOSA-N 335.448 1.216 0 40 EDAB Cc1ccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 24031715 RKZPOJTXDJHZCE-UHFFFAOYSA-N 346.431 1.003 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@H](C)c3ccncc3)CC2)no1 43191636 RETKOCFITMLXAS-CQSZACIVSA-N 329.404 1.966 0 40 EDAB O=C(NC[C@H](O)CN1CCc2ccccc2C1)Nc1nccs1 43160541 ZREJXQLDBYNPMM-AWEZNQCLSA-N 332.429 1.684 0 40 EDAB CN1CCc2nc(NC(=O)c3n[nH]c(=O)c4ccccc34)sc2C1 16490261 BJXGHLJAIJUPCM-UHFFFAOYSA-N 341.396 1.620 0 40 EDAB O=C(Nc1nnc(C2CC2)s1)N1CCN(c2ncccn2)CC1 43360356 QVQKAVZVOCIEHZ-UHFFFAOYSA-N 331.405 1.560 0 40 EDAB Cc1cccc(NC(=O)[C@H]2CCCN(C[C@@H](O)Cn3cccn3)C2)n1 106788716 XWRAXAQCGCAXLH-JKSUJKDBSA-N 343.431 1.298 0 40 EDAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(=O)n(C)n3)c2C(N)=O)C1 8036271 XJVPEZMMSBQYPR-QMMMGPOBSA-N 346.412 1.318 0 40 EDAB C[C@H](C(=O)NC(N)=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57358887 OJKPSVJEPYZHLC-SNVBAGLBSA-N 344.337 1.411 0 40 EDAB O=C([C@H]1CCOC1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 71834660 YXBJCPNWGYGHJR-LBPRGKRZSA-N 348.428 1.479 0 40 EDAB COCCn1cc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc21 57419338 NVVFBJXCMYLKSN-UHFFFAOYSA-N 329.400 1.625 0 40 EDAB O=C(COC(=O)[C@H]1CCC(=O)N1)Nc1nc(-c2ccccc2)cs1 3254703 VYAGQXBOHIZSQB-LLVKDONJSA-N 345.380 1.570 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CCCN(C)C1 108337305 AFJWTRFEJBFJBK-AWEZNQCLSA-N 338.473 1.940 0 40 EDAB C[C@@H](C(=O)N1CCOCC1)N(C)CCOc1ccccc1Cl 44874301 PGFAFJINUPJCEU-ZDUSSCGKSA-N 326.824 1.898 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)c(Cl)c1 58282966 WDBDSQVYOHECEN-JTQLQIEISA-N 333.793 1.584 0 40 EDAB COc1ccc(-c2noc(=O)n2CC(=O)NC(C)(C)C)cc1OC 58357121 IHSJVXMGWWHQDX-UHFFFAOYSA-N 335.360 1.435 0 40 EDAB O[C@H](COc1ccc(Cl)cc1)Cn1nnc(-c2cccnc2)n1 58370434 UILIMVRKLIZFGU-ZDUSSCGKSA-N 331.763 1.828 0 40 EDAB NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 3371945 WIKCNEUSOFKKIO-UHFFFAOYSA-N 338.319 1.125 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNCc1ccccc1CO 58421083 IOQZWRIAMSMRMG-UHFFFAOYSA-N 330.432 1.347 0 40 EDAB COc1ccc(NC(=O)COC(=O)C2(O)CCCCC2)cc1OC 10575555 YFWYOSUTHXZBLQ-UHFFFAOYSA-N 337.372 1.881 0 40 EDAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCC(C)C)C2)s1 36365423 QYGZWPDHZYUFDT-SNVBAGLBSA-N 326.422 1.518 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(F)c2)n(C)c1 12779781 KJSJVNKQZSWHMU-UHFFFAOYSA-N 325.365 1.633 0 40 EDAB COc1ccc(-c2cc(NC(=O)CNC(N)=O)ccc2OC)cc1 12790201 TZLIUSRAYQQESA-UHFFFAOYSA-N 329.356 1.978 0 40 EDAB C[C@@H](C(=O)N1CCNC1=O)N1CCC(c2nc3ccccc3o2)CC1 12786061 HDUTTYAXATVGPE-LBPRGKRZSA-N 342.399 1.948 0 40 EDAB O=C(NCC1(c2ccc(F)cc2)CC1)N[C@H]1CCS(=O)(=O)C1 48290816 WFZFQCCDZLYEML-ZDUSSCGKSA-N 326.393 1.344 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2cnc3ccccc3c2)C1=O 48235175 PIMGINFVFMYTNW-GOSISDBHSA-N 338.367 1.894 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NC[C@H]1Cc2ccccc2O1 48354339 OAGODTSMYUTEST-CQSZACIVSA-N 335.363 1.516 0 40 EDAB CCOC(=O)[C@H]1Nn2c(C)nnc2S[C@H]1c1ccc2c(c1)OCO2 16776918 BXWPTWVYERPFEN-STQMWFEESA-N 348.384 1.637 0 40 EDAB CS(=O)(=O)CCC(=O)Nc1nnc(Cc2ccccc2F)s1 71888187 JGBNOLCCBCFUOO-UHFFFAOYSA-N 343.405 1.641 0 40 EDAB Cc1ccc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 70037131 JDPXZTLKXHVHNA-GOSISDBHSA-N 325.412 1.881 0 40 EDAB Cc1ccc(-c2nc(CC(=O)O[C@@H]3CCS(=O)(=O)C3)cs2)o1 64357570 PQEZIMHXHMKAEG-LLVKDONJSA-N 341.410 1.984 0 40 EDAB O=C1C[C@@H](NS(=O)(=O)c2cccs2)CN1Cc1ccccc1 69352171 ROAAXONPMKMGDG-CYBMUJFWSA-N 336.438 1.828 0 40 EDAB CC(C)(C)N1C[C@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1=O 65489506 XYTUTCNZYARYNR-MRVPVSSYSA-N 345.321 1.979 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 14171330 HWEUDFRYAINNPS-UHFFFAOYSA-N 330.409 1.793 0 40 EDAB O=C1CCSc2ccc(C(=O)NCCCN3CCCC3=O)cc2N1 14183868 XPYNZEMTMCQIJP-UHFFFAOYSA-N 347.440 1.863 0 40 EDAB CCn1nc(C(=O)O[C@@H](C)C(=O)N2CCCC2)c2ccccc2c1=O 4525375 VUBILHMGMPQPKK-LBPRGKRZSA-N 343.383 1.584 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(CCC(=O)Nc2ccccc2)C1 65611382 XEVUDTBVFSDXKF-AWEZNQCLSA-N 325.434 1.029 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCN(Cc3cnn(CCO)c3)CC2)n1 69950497 WGCHAYNSHDKEEV-CQSZACIVSA-N 348.451 1.261 0 40 EDAB O=C1CN(C(=O)Cn2cnc(-c3ccccc3)n2)c2ccccc2N1 69929551 DBKSTMALIYZEKS-UHFFFAOYSA-N 333.351 1.930 0 40 EDAB CCOC(=O)C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 6661888 BRXBYKYTVMZYGX-UHFFFAOYSA-N 327.358 1.799 0 40 EDAB O=S1(=O)C[C@@H]2NC(=S)N(c3ccc(Cl)c(Cl)c3)[C@H]2C1 6662105 ACOUTAHIHHHGKA-UWVGGRQHSA-N 337.253 1.854 0 40 EDAB COCCNC(=O)c1ccc(N(C)Cc2ccc3c(c2)OCO3)nc1 69697935 PZXJWWDRYRWWBK-UHFFFAOYSA-N 343.383 1.823 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cnc3cc(C(=O)O)ccc3c2=O)C1 15019919 OSMCYVFHLBBTBK-VXGBXAGGSA-N 343.383 1.599 0 40 EDAB CC(C)[C@@H]1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccccc1 4985964 BQSKGRXMXLSKGM-CQSZACIVSA-N 325.434 1.657 0 40 EDAB COc1ccc(-n2c(O)nc3nc(N4CCCC4)ncc3c2=O)cc1 67264209 RBQYUTUAPFVFON-UHFFFAOYSA-N 339.355 1.490 0 40 EDAB O=C(Nc1nnc(CCc2ccccc2)s1)c1cc(O)nc(O)n1 408732778 YUCCGFSURQJSSZ-UHFFFAOYSA-N 343.368 1.777 0 40 EDAB COc1cccc(NC(=O)Nc2cnn(C[C@@H](O)CN(C)C)c2)c1 69700254 OWVJQOAYCRVVFE-AWEZNQCLSA-N 333.392 1.458 0 40 EDAB Cc1ccc([C@H](NC(=O)CN[C@H]2CCc3ncnn3C2)C2CC2)cc1 69743514 NSGOEQZURRABOV-LPHOPBHVSA-N 339.443 1.758 0 40 EDAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCCCC1 7377812 JFRHTCGJOZFZJC-CYBMUJFWSA-N 339.461 1.750 0 40 EDAB CCOC(=O)[C@H](Cc1ccccc1)N(CC(=O)NC(=O)NC)C1CC1 69848186 OLPAFGUVOURMBY-HNNXBMFYSA-N 347.415 1.081 0 40 EDAB COC(=O)N1CCCN(C(=O)[C@H](C(C)C)N2CCCCC2)CC1 69876900 NOPUHRVKFQGTKY-HNNXBMFYSA-N 325.453 1.798 0 40 EDAB CN(C[C@@H]1CN(Cc2nnc(C3CCC3)o2)CCO1)c1cccnn1 83859343 WOEWUQMVQNFQKJ-CQSZACIVSA-N 344.419 1.464 0 40 EDAB CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3cccs3)C[C@@H]1C2 306137881 RJAWZPPYNPFQCF-RYUDHWBXSA-N 331.445 1.394 0 40 EDAB C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)N1CCNC1=O 9691598 FMWDDJXZKIKDAO-QMMMGPOBSA-N 335.364 1.643 0 40 EDAB C[C@@H](Cn1cncn1)NS(=O)(=O)c1c(Cl)cccc1Cl 71972643 OOJFYJUCNDBMIW-QMMMGPOBSA-N 335.216 1.952 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)CCc3ccccc3Cl)C2=O)cn1 71910414 QIFCSWDJEZFDQG-HNNXBMFYSA-N 346.818 1.928 0 40 EDAB O=C(NCc1cccc(CO)c1)C1CCN(C(=O)N2CCCC2)CC1 75128035 QDIHVJXDOZDHOL-UHFFFAOYSA-N 345.443 1.723 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1cscn1 96405508 APQBQKZMEMSAOU-HNNXBMFYSA-N 331.441 1.816 0 40 EDAB CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(C)cc2)CC1 96998332 KOEUSVGYYZWYDS-OAHLLOKOSA-N 325.478 1.299 0 40 EDAB Cc1ccc(-c2nc(CC(=O)NCCOCC(N)=O)cs2)cc1 84172096 KTFNDVPVJMWSCI-UHFFFAOYSA-N 333.413 1.279 0 40 EDAB COC(=O)c1cc(C)nc(N2CCN(c3nc(C)cc(C)n3)CC2)n1 72240739 IUDBAUCNLZQJRD-UHFFFAOYSA-N 342.403 1.305 0 40 EDAB COC(=O)CN1CCCN(C(=O)c2cc(Cl)ccc2OC)CC1 72297791 GUJRLMMYGPLCPB-UHFFFAOYSA-N 340.807 1.670 0 40 EDAB Cc1nc(CN2CCC[C@H](Nc3ncnc4c3cnn4C)C2)no1 72276349 PKBSQTUZUWSDGP-NSHDSACASA-N 328.380 1.131 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)sc1C 72297346 KLIOZVFEIAWIGS-GFCCVEGCSA-N 332.429 1.873 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)NCc1nnc(-c2ccccc2)s1 89904460 JTJNHGQWNYSDOO-NSHDSACASA-N 343.416 1.685 0 40 EDAB Cc1nnc(COC(=O)c2cnn(C)c2Br)n1C1CC1 97135150 JGNXIIFZOGULGA-UHFFFAOYSA-N 340.181 1.774 0 40 EDAB CCCCn1c(SC[C@@H]2CCCN(S(C)(=O)=O)C2)n[nH]c1=O 72312944 DACIZIAESJYMHF-LLVKDONJSA-N 348.494 1.135 0 40 EDAB CC[C@@H]1COCCN1C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 75613116 LISXQNSHDHEIDM-AHIWAGSCSA-N 337.420 1.125 0 40 EDAB C[C@H](CO)[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 97598137 SWEWAQJHOCVFBI-RKDXNWHRSA-N 336.360 1.821 0 40 EDAB COc1ccc2cc(C(=O)N3C[C@@H](N4CCOCC4)[C@H](C)C3)[nH]c2c1 76056211 CMGREMFEVUPBSW-FZKQIMNGSA-N 343.427 1.969 0 40 EDAB O=C1CC[C@H](C(=O)NCC[C@](O)(c2ccccc2)C(F)(F)F)N1 95398873 WBYGNFMMWMVLCL-RISCZKNCSA-N 330.306 1.221 0 40 EDAB Cc1cnn(CCCNC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)c1 95421850 HDXMGHQIMHCFTA-CYBMUJFWSA-N 348.369 1.926 0 40 EDAB C[C@H](Cn1cnnc1)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 95450578 XMIQCNQQUMMDGJ-PRHODGIISA-N 329.187 1.823 0 40 EDAB Cn1nc2n(c1=O)CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C2 95446428 WHYYPZIIXUKMPZ-UHFFFAOYSA-N 341.198 1.474 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cccc4[nH]ncc34)CCO2)n1 78890215 JGEDGDZHMOFKGA-AWEZNQCLSA-N 340.387 1.847 0 40 EDAB CCOc1ccc(CC(=O)NCc2nnc3nc(C)cc(C)n23)cc1 9908694 KACPYBZTXNPIJT-UHFFFAOYSA-N 339.399 1.999 0 40 EDAB CN(C)[C@@H]1CCN(C(=O)c2nc([C@H]3CCCN3C)n3ccccc23)C1 306131417 KDWOQIDFHNRTGG-GDBMZVCRSA-N 341.459 1.877 0 40 EDAB O=C(NCc1cccs1)[C@H]1CN(CC2CC2)Cc2ncnn2C1 306142772 XJBZBPQOVCHRPT-ZDUSSCGKSA-N 331.445 1.498 0 40 EDAB COc1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1F 30330019 XCFUNSHEYOPKHM-UHFFFAOYSA-N 330.381 1.125 0 40 EDAB Cc1n[nH]c(-c2ccc(C(=O)NC[C@@H](C)N3CCOC[C@@H]3C)cc2)n1 74369365 QGTHMQDGGSWMHI-OLZOCXBDSA-N 343.431 1.619 0 40 EDAB CC(C)N(C(=O)CN)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79392956 KTBYPKYWTOUDFF-INIZCTEOSA-N 333.432 1.983 0 40 EDAB Cc1nc([C@@H]2CN(c3cnccn3)CCO2)cc(N2CCCC2)n1 72387707 NAIGSASSAXLKAA-HNNXBMFYSA-N 326.404 1.753 0 40 EDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@@]1(COC)C(N)=S 218580574 VMVORXNUJKQNGT-MBNYWOFBSA-N 331.434 1.645 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1 72380366 ZPZXRJGMLLNKEQ-OAHLLOKOSA-N 326.400 1.919 0 40 EDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1F 71980171 GGDCNUZAQKMKSN-AWEZNQCLSA-N 336.363 1.563 0 40 EDAB CN(C)c1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cn1 78075759 AQXBPAMLFGGIGF-QGZVFWFLSA-N 340.427 1.987 0 40 EDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(C)cc1 71980134 CGHCZDQTTLCHHE-OAHLLOKOSA-N 332.400 1.733 0 40 EDAB O=C(O)C[C@@H]1CNCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 71756810 ZYKVIXDTJQHYDG-GFCCVEGCSA-N 332.379 1.712 0 40 EDAB CC(C)NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 36761350 BXELKXXDCIGVRM-GOSISDBHSA-N 329.400 1.900 0 40 EDAB O=c1[nH]nc(CCNc2ccccc2S(=O)(=O)C(F)(F)F)[nH]1 72307652 SUEIYBTZNWOHHV-UHFFFAOYSA-N 336.295 1.046 0 40 EDAB CCOC(=O)c1cnc(NC(=S)NCc2cccnc2)nc1C 225197677 CEUIFTWLIBJPDE-UHFFFAOYSA-N 331.401 1.843 0 40 EDAB COCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCO[C@H](C(C)C)C1 1066567981 XCHKVSNRJLPQSO-CVEARBPZSA-N 342.480 1.781 0 40 EDAB O=C(NCCc1cccs1)c1coc(NC(=O)c2cnccn2)n1 75157989 YEJUGEJBYLZEFJ-UHFFFAOYSA-N 343.368 1.751 0 40 EDAB O=C(CN1CCCCC1=O)Nc1c[nH]cc(Br)c1=O 89990581 NSGQIFXVIBZSOC-UHFFFAOYSA-N 328.166 1.088 0 40 EDAB CN1C(=O)c2cccnc2O[C@H]2CN(C(=O)c3ccccc3F)C[C@H]21 514290268 WXRGJOGZYATXBJ-CABCVRRESA-N 341.342 1.578 0 40 EDAB biogenic,in-vitro COc1cncc(O[C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 225392594 GEJFJXXMFOECBW-LBPRGKRZSA-N 343.339 1.507 0 40 EDAB CN1CCN(C(=O)[C@H]2COc3ccccc3O2)C[C@@H]1c1nccn1C 330333869 QEBFCTWOAWQNFL-CZUORRHYSA-N 342.399 1.075 0 40 EDAB O=C(NCc1nnc2n1CCCC2)N[C@@H]1CCN(c2ccccc2)C1 96404600 FGSBTFZYDZJGPA-CQSZACIVSA-N 340.431 1.693 0 40 EDAB CN(C(=O)[C@H](Cc1ccccc1)NS(C)(=O)=O)c1ccccc1 96428563 WPKPXZLUCQVCMA-INIZCTEOSA-N 332.425 1.810 0 40 EDAB O=C([C@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@@H]2O1)N1CCOCC1 96043197 AAVBXYDLTRVHOB-XHSDSOJGSA-N 336.457 1.586 0 40 EDAB COCCNC(=O)C[C@@H]1OC[C@H]2CN(CCc3ccccc3)CC[C@@H]12 96207016 POOFOKQMRKNMLD-QRVBRYPASA-N 346.471 1.719 0 40 EDAB Fc1cnc(N2CCC3(CC2)CN(Cc2nccs2)CCO3)nc1 96158861 DAAQLEHFFASKCR-UHFFFAOYSA-N 349.435 1.944 0 40 EDAB Cc1nnc(CN2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)n1C1CC1 578345987 JTDZHPAKJUCSEY-CQSZACIVSA-N 343.435 1.671 0 40 EDAB CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccccc1 96065755 CMPIJVYJRQTVNA-YQVWRLOYSA-N 332.444 1.566 0 40 EDAB Cc1cccc2nc(CSCCN3CCCS3(=O)=O)cn12 96501509 GMSRRLIDDUDKIE-UHFFFAOYSA-N 325.459 1.911 0 40 EDAB COCCN1[C@H](C)CN(c2ccc(S(C)(=O)=O)cc2)C[C@H]1C 97371919 XFJSKNZZTXAGBT-ZIAGYGMSSA-N 326.462 1.636 0 40 EDAB O=C1CC[C@H](C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)N1 96412623 URWPPTIBIIPTPR-ZBFHGGJFSA-N 336.819 1.891 0 40 EDAB CCn1nc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1C(N)=O 96182125 APTGXDKWNVZGGH-UHFFFAOYSA-N 326.353 1.250 0 40 EDAB N[C@H]1CCc2ncc(NC(=O)N3CCC[C@@H](CCO)CC3)cc2C1 333240642 DTZYHIIVHVKDEV-HIFRSBDPSA-N 332.448 1.914 0 40 EDAB O=C(c1ccoc1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 96049156 UDIDPPFIMPRJNB-QGZVFWFLSA-N 328.372 1.581 0 40 EDAB C[C@H](C(=O)NCCc1nccs1)n1nnc2ccccc2c1=O 95475802 KGLDNZOOWRFBRR-SNVBAGLBSA-N 329.385 1.168 0 40 EDAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CN(Cc3cccs3)CC[C@@H]21 96064304 FSWSNMAMJPMHDL-FPMFFAJLSA-N 330.475 1.134 0 40 EDAB Cn1ccc(C(=O)N2CC3(C[C@@H](OCC4CCOCC4)CCO3)C2)n1 248099143 DJHRLQPRAWHYNN-HNNXBMFYSA-N 349.431 1.237 0 40 EDAB Cc1ncsc1CN1CC2(C[C@H](OCC(=O)N(C)C)CS2)C1 248011768 PMNYCZKQSVEGFX-LBPRGKRZSA-N 341.502 1.616 0 40 EDAB CC(=O)N1CCN(CC(=O)N2CCCCC2)C[C@H]1c1ccccc1 257216085 CTAFIGVLTAFLSV-SFHVURJKSA-N 329.444 1.904 0 40 EDAB Cn1ncc(C(=O)NCc2ccc(CC(=O)O)cc2)c1-n1cccc1 1601021862 QVTPJIIPZHMPSK-UHFFFAOYSA-N 338.367 1.768 0 40 EDAB Cc1nc2ccccn2c1CC(=O)NC(C)(C)CN1CCOCC1 257243956 IJHANWWQPSICEK-UHFFFAOYSA-N 330.432 1.412 0 40 EDAB CN(C)c1cc(N2CCC[C@](C)(C(=O)Nc3ncc[nH]3)C2)ncn1 257328093 XEBVBCCSIBKWMG-INIZCTEOSA-N 329.408 1.511 0 40 EDAB CCN(C)S(=O)(=O)N1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 585134674 FVJHFBSNKRTDDF-UHFFFAOYSA-N 349.460 1.848 0 40 EDAB CNC(=O)[C@]1(C)CN(C(=O)C2(c3ccc(OC)cc3)CC2)CCO1 257335500 YKKRTBDGDJBUJL-KRWDZBQOSA-N 332.400 1.090 0 40 EDAB Cc1ncccc1O[C@H]1CCN(C(=O)CN2CCCC2)CC[C@@H]1O 257296237 RBVZSXHTBCEFCX-RDJZCZTQSA-N 333.432 1.217 0 40 EDAB Cc1cc(N)cc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257204041 ASUHDHVEODOZSD-MRXNPFEDSA-N 329.404 1.549 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@H](OCc3cncc(C)c3)CCO2)C1 253604278 SOJVPIOGOCUYJY-OAHLLOKOSA-N 340.445 1.490 0 40 EDAB COc1ncc(CN2CCO[C@@H](c3cccc(N(C)C)n3)C2)cn1 257264120 LTAGUWXBYCZFIC-OAHLLOKOSA-N 329.404 1.520 0 40 EDAB CC(=O)NCc1cnc(CC2CCN(Cc3cccnc3)CC2)cn1 257333036 XZUVZPJFQSSCMK-UHFFFAOYSA-N 339.443 1.962 0 40 EDAB CN(C[C@]1(O)CCN(c2ccccn2)C1)C(=O)CCCn1ccnc1 257299312 RPNDXQVSYWIGHN-GOSISDBHSA-N 343.431 1.158 0 40 EDAB Cc1ncccc1C(=O)N1CCOC[C@H]1CCc1nccnc1C 257247238 IYCKNHKAEFUVOS-OAHLLOKOSA-N 326.400 1.962 0 40 EDAB CCC1(CC)CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CCS1 274375666 PRHOHDGTLGSAKA-UHFFFAOYSA-N 345.490 1.420 0 40 EDAB Cn1nnnc1CCNC(=O)N[C@@H]1CCCc2ccc(Cl)cc21 623845446 CEQUJSSOOGPDMQ-CYBMUJFWSA-N 334.811 1.783 0 40 EDAB O=C(c1ccn(CC(F)(F)F)n1)N1CCC[C@H](N2CCCC2=O)C1 1615591341 UXYPLQYINDCEFB-NSHDSACASA-N 344.337 1.672 0 40 EDAB O=C1COc2cccc(OC[C@@H](O)COc3ccc(F)cc3)c2N1 390833378 GTDPFJQLEFPJFI-LBPRGKRZSA-N 333.315 1.975 0 40 EDAB Cc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C 96306414 RKEYDMLDDFVQFT-SNVBAGLBSA-N 325.372 1.520 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CCO2)C1 575405112 RBHNYHOWGDZKMT-QLFBSQMISA-N 336.432 1.041 0 40 EDAB COc1nc(CNC(=O)Nc2ccc(C)cc2C)nc(N(C)C)n1 575603892 MLIDYXATUWAOSB-UHFFFAOYSA-N 330.392 1.885 0 40 EDAB Cn1cc(N2CC[C@]3(CCCN(C(=O)C4CC(F)C4)C3)C2=O)cn1 585100908 DZTQCANMZNJQRN-FVKWTLKZSA-N 334.395 1.514 0 40 EDAB O=C(NC1CC1)c1cnn2c1CN(C(=O)c1cccc(F)c1)CCC2 585110871 RSZXAYZUSBTQGR-UHFFFAOYSA-N 342.374 1.961 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)c1ccc2ccccc2n1 585277513 IBOQEZLJVVRNEE-GOSISDBHSA-N 327.384 1.731 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCCn1nc2c(cc1=O)CCCC2 585150028 SPNGQLOSDJFUFX-AWEZNQCLSA-N 341.411 1.706 0 40 EDAB O=C(c1n[nH]cc1Cl)N1CCO[C@@](CO)(Cc2ccccc2)C1 585276244 FCPKXLQLVUSZBX-INIZCTEOSA-N 335.791 1.509 0 40 EDAB CNC(=O)CC[C@]1(O)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 585278167 MBCLRNNXHZEHIT-MRXNPFEDSA-N 340.445 1.037 0 40 EDAB CC(=O)N1CCN(C2CCCC2)C[C@@](O)(COc2ccccc2)C1 585281762 QWTDSVGHHQDUTQ-LJQANCHMSA-N 332.444 1.903 0 40 EDAB 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0 40 EDAB Cn1nc2c(c1NC(=O)Cc1n[nH]c(=O)c3ccccc13)CSC2 61720043 LMKMEKLHCDWRMP-UHFFFAOYSA-N 341.396 1.585 0 40 EDAB COc1ccc(CC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1 47636002 DFRPSMWGBNYOBJ-AEFFLSMTSA-N 348.443 1.091 0 40 EDAB COC(=O)[C@@H]1CSC[C@H](c2ccccc2)N1CC(=O)NC(C)C 107051256 RENKLKZGYWCDFM-CABCVRRESA-N 336.457 1.843 0 40 EDAB O=C(Nc1nc2c(s1)CCC2)C1=NN(c2ccccc2)C(=O)CN1 56218516 HKOLZTPVRKZXBS-UHFFFAOYSA-N 341.396 1.520 0 40 EDAB COc1cc2c(cc1OC)CCN(C(=O)CN1CCCC1=O)CC2 56462213 CWWHVLAOIGTQRL-UHFFFAOYSA-N 332.400 1.253 0 40 EDAB CNC(=O)c1nn(CN(CC(C)C)C2CC2)c(=O)c2ccccc12 26625937 CUJXQAYOYAUCIC-UHFFFAOYSA-N 328.416 1.834 0 40 EDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 26990811 CPRNKPIKKOWROI-AOOOYVTPSA-N 346.836 1.498 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(CC(=O)N2CCc3ccccc32)C1 47979378 DHJAMGRDOUFTMC-KRWDZBQOSA-N 341.455 1.814 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(F)c(F)c1 44948398 DJGCOCQJNJUDAJ-NXEZZACHSA-N 333.356 1.422 0 40 EDAB 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EDAB Cc1ccc(F)cc1NC(=O)C(=O)NCc1nc(-c2ccco2)n[nH]1 72291123 LZXMWFXJHDGYMD-UHFFFAOYSA-N 343.318 1.767 0 40 EDAB CN(c1cnn(C)c1)S(=O)(=O)c1cc(Cl)cc2c1OCC2 97086280 RNRNUXGTIQWIOA-UHFFFAOYSA-N 327.793 1.834 0 40 EDAB NC(=O)CN1CCCN(c2ccnc(Cc3ccccc3)n2)CC1 97144538 ZKBOLKGOYZWMTA-UHFFFAOYSA-N 325.416 1.065 0 40 EDAB C[C@@H](CNC(=O)N1CCN([C@H](C)c2ccsc2)CC1)[S@](C)=O 97143147 QKYNOACASRHJCK-UAGWRWDDSA-N 343.518 1.903 0 40 EDAB CCN(C(=O)NCc1nccn1C)[C@@H]1CCN(c2ccccc2)C1=O 84437056 BUTLBPMRQADZDC-OAHLLOKOSA-N 341.415 1.757 0 40 EDAB CCOC(=O)[C@H](OC(=O)[C@@H]1CCCN(C(=O)CC)C1)c1cccnc1 89941663 GJPPYMAKXORGEZ-GDBMZVCRSA-N 348.399 1.878 0 40 EDAB CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H]2COC(C)(C)O2)CC1 84673851 DQYUEWMSXMWGFZ-ZDUSSCGKSA-N 342.436 1.901 0 40 EDAB Cc1ccc(N(CC(=O)N2CCNC(=O)C2)Cc2ccco2)cc1 72949333 FMHLTILUWCUVED-UHFFFAOYSA-N 327.384 1.553 0 40 EDAB CCc1cc(N2CCC[C@H]2CC(=O)c2cnn(C)c2)n2ncnc2n1 95455244 ZQUDSMUCAYHONA-AWEZNQCLSA-N 339.403 1.662 0 40 EDAB O=C(OCCc1cn[nH]c1)c1cncc(I)c1 95441505 PSVBTJDWCIOGQA-UHFFFAOYSA-N 343.124 1.809 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)C[C@H]3OCCc4ccccc43)CCO2)n1 76045683 ZSFIKMYDHIVTRF-HZPDHXFCSA-N 342.399 1.717 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCN(CCCn2ccnc2)CC1 95986315 RUGFORXMAQBNKU-UHFFFAOYSA-N 348.472 1.421 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cccc4cn[nH]c34)CCO2)n1 78890188 DWQIDHFPRYULMW-ZDUSSCGKSA-N 340.387 1.847 0 40 EDAB CCN(C[C@H]1CCN(C(=O)c2nccnc2N)C1)CC(F)(F)F 75092495 JRBLESNLCQTKDU-SNVBAGLBSA-N 331.342 1.405 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3cc(CN(C)C)on3)CCO2)cc1 1549867486 UAEOMGXLVLWNKQ-QGZVFWFLSA-N 345.399 1.959 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)Cc1ccccc1F)C1CCOCC1 518758834 CZNDVRUTXNZRST-CYBMUJFWSA-N 345.392 1.373 0 40 EDAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1F 77845512 AUVONRNLFVHSQG-AYVTZFPOSA-N 332.322 1.956 0 40 EDAB CCCNC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38857534 LMLHYAFAYLMJRE-CYBMUJFWSA-N 346.836 1.783 0 40 EDAB Cc1cc(=O)n(S(=O)(=O)c2cnn(C)c2C)c2nn(C(C)C)cc12 36621573 SZXWFHKCQLSDIW-UHFFFAOYSA-N 349.416 1.366 0 40 EDAB CC(C)N1CCN(C(=O)c2cnc(C[C@@H]3CCCN(C)C3)cn2)CC1 72369346 UFLCHOCDHLJJMP-INIZCTEOSA-N 345.491 1.527 0 40 EDAB O=C([C@@H]1CCCCN1CCc1ccc2c(c1)CCO2)N1CCOCC1 75711374 SDOMIYBXCRVEIS-SFHVURJKSA-N 344.455 1.877 0 40 EDAB Cc1cccc(CC(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)c1 217720136 HAVXUZKQOBLFQX-IAGOWNOFSA-N 338.407 1.700 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)c3c(C)n[nH]c3C)n2)cn1 225816712 FVQNZWXDZWUQGG-UHFFFAOYSA-N 342.359 1.800 0 40 EDAB Cc1cc(O)nc([C@H](C)N(C)Cc2nc3ccsc3c(=O)[nH]2)n1 192787674 IQZMPORUGFZJFD-VIFPVBQESA-N 331.401 1.982 0 40 EDAB CCOC[C@@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)O)C1 574635454 NDEUPPXSPBANPR-SNVBAGLBSA-N 333.431 1.884 0 40 EDAB CO[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc(=N)n(C)[nH]1 574921565 FIFPALDCQYPVKN-UONOGXRCSA-N 329.404 1.149 0 40 EDAB O=C(NCCCn1ccnc1)c1ccnc(O[C@H]2CCSC2)c1 225719198 MHVAHTYTHZOWNO-AWEZNQCLSA-N 332.429 1.983 0 40 EDAB O[C@H](CN[C@@H]1CCc2c[nH]nc2C1)CN1CCc2ccccc2C1 575981233 CFQZEZYHLKZTHB-QZTJIDSGSA-N 326.444 1.276 0 40 EDAB CN1CCN(c2ccncc2NC(=O)C[C@@H]2CCCC[C@@H]2N)CC1 576758333 NBWMZICYAZQQEL-GJZGRUSLSA-N 331.464 1.680 0 40 EDAB Cn1nnc2c1[C@H](COCC1CC1)CN(C(=O)Cc1ccccn1)C2 96198592 CPSSLZARRYPHBD-AWEZNQCLSA-N 341.415 1.305 0 40 EDAB CN1CCN(Cc2cnc3n2CCN(Cc2ccccn2)C3)CC1 96061800 HXJFEYOKVHKZPM-UHFFFAOYSA-N 326.448 1.041 0 40 EDAB CS(=O)(=O)N1CC[C@@]2(CN(CC3CC3)C[C@H]2COCC2CC2)C1 96220166 VECATTZMRYKBRF-DLBZAZTESA-N 342.505 1.407 0 40 EDAB CCn1cc(C(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)c2ccccc21 583619019 VLBICLFRKGPKIG-GOSISDBHSA-N 339.399 1.903 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Cc2cc[nH]n2)cc1 583616199 UHZOAFAMYMNKOJ-AEFFLSMTSA-N 329.400 1.860 0 40 EDAB Cc1ccc(OCC(=O)N2C[C@@H]3COC[C@]3(c3nnc(C)o3)C2)cc1 96110113 JMUGOUGRSLBSLX-RDTXWAMCSA-N 343.383 1.492 0 40 EDAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2S(=O)(=O)c1ccc(C)c(F)c1 96041402 DZBHOHWGOFXBFY-RRFJBIMHSA-N 329.393 1.701 0 40 EDAB CCOC[C@H]1C[C@@]2(COCCN2C(=O)c2ccc(OC)cc2)CO1 96240730 SVSBMLVLVDJZDW-SJLPKXTDSA-N 335.400 1.732 0 40 EDAB Cc1cccc(CN2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)n1 96239291 YLFFSUUJHUNUNS-SFHVURJKSA-N 325.416 1.753 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 96055521 LSTTYXZMVPDAAM-USXIJHARSA-N 346.427 1.893 0 40 EDAB CCc1ccc(CN2CC[C@H]3C[C@H](C(=O)N4CCCO4)O[C@@H]3C2)o1 96066169 PSOIQRAWTINXFS-IAOVAPTHSA-N 334.416 1.985 0 40 EDAB Cn1cc(CN2C[C@@H](C(=O)N3CC=CC3)C3(CCOCC3)C2)cn1 96038489 MORZTYDUPRSVRM-INIZCTEOSA-N 330.432 1.047 0 40 EDAB O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cc2ccccc2cc1O 245377183 INUZZPZUZVKGCF-WRFANHODSA-N 348.358 1.997 0 40 EDAB CCOc1ccc(C(=O)NC[C@@H]2CCCN2c2ncccn2)cn1 618254182 MJKUQHWVSHOXNR-AWEZNQCLSA-N 327.388 1.669 0 40 EDAB CC[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 244279072 WSZUCZKNWXPNIW-VIFPVBQESA-N 349.250 1.642 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](C)(C(=O)OC)N[C@H]2c1ccc(F)cc1 245230496 SVWWHCGTDZGGBX-LKQDWFRTSA-N 334.347 1.023 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)CCCn3ccnc3)CCO2)ncn1 257257151 KOGQCPXPQXYYOA-KRWDZBQOSA-N 343.431 1.622 0 40 EDAB COCCOc1ccc(CC(=O)NCc2cc(C)nc(O)c2)cc1 585088346 XGHNFFOOYXZULD-UHFFFAOYSA-N 330.384 1.980 0 40 EDAB CON(C)C(=O)C1(NC(=O)c2ccn(C)c(=O)c2)CCCCCC1 585089556 WSVSLDHOGQYJLL-UHFFFAOYSA-N 335.404 1.228 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1(Cc2ccccc2)CCOCC1 257290505 QDFDTTVHNARGTA-OAHLLOKOSA-N 337.441 1.329 0 40 EDAB Cn1cnc2cncc(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)c21 585122149 OQGAEDNJDLJQFF-CYBMUJFWSA-N 341.415 1.347 0 40 EDAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)[C@@H](C(N)=O)C1 257329459 XKBQJPUOONQNLX-OAHLLOKOSA-N 343.383 1.246 0 40 EDAB Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)CCN)CCO2)n1 257259723 KZRDZGAURVGFLC-OAHLLOKOSA-N 330.388 1.602 0 40 EDAB CN(C)Cc1nccnc1C1CCN(C(=O)c2ccncn2)CC1 257260950 LFEKBGOMSUYOMR-UHFFFAOYSA-N 326.404 1.348 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2cnc(C3CC3)nc2)n1 257341595 ZKZONFDWOBKGOM-CQSZACIVSA-N 341.371 1.372 0 40 EDAB CCn1cc(C(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)cn1 257299785 RRPGFMUIYNBPKK-KRWDZBQOSA-N 347.394 1.198 0 40 EDAB CCCS(=O)(=O)N1CCN(C(C)=O)C[C@@H]1c1ccccc1OC 257263612 LQTAFGRCACVTCA-OAHLLOKOSA-N 340.445 1.640 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@@](C)(O)CCc3ccccc3)CC2)n[nH]1 252496663 POELLROOLINENF-IBGZPJMESA-N 342.443 1.751 0 40 EDAB CC(C)Cn1ccnc(N2CCC(n3cc(C(=O)O)cn3)CC2)c1=O 1615051074 LNISBLQCIPJDAB-UHFFFAOYSA-N 345.403 1.636 0 40 EDAB O=C(Nc1ccc2nnnc(O)c2c1)c1c[nH]c2ccccc2c1=O 604418506 GBTIJQZKLYLUNQ-UHFFFAOYSA-N 333.307 1.824 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1)C(C)(C)C(=O)O 1616039744 VTEHIPMXMQIEPC-LBPRGKRZSA-N 343.401 1.799 0 40 EDAB O=C(NC[C@H](O)Cn1ccccc1=O)c1ccc2ncsc2c1 96124326 DLGGARFNDKJQJP-LBPRGKRZSA-N 329.381 1.249 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc2ccccc2[nH]1 390831257 QSYUNIBJAMFAOQ-CYBMUJFWSA-N 347.382 1.614 0 40 EDAB Cc1cc(-c2cccnc2)nn1CCNS(=O)(=O)c1cccnc1 390826094 BLGXBSKRMAWFSA-UHFFFAOYSA-N 343.412 1.627 0 40 EDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)CCCc2ccncc2)C1 585278109 LTTJHLVVKYLHAO-SFHVURJKSA-N 333.432 1.284 0 40 EDAB CNC(=O)[C@]1(C)CN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)CCO1 585284122 HCVZQYLLFDVXTH-JCGIZDLHSA-N 326.481 1.791 0 40 EDAB O=C(C[C@H]1CN(c2ncc(F)cn2)Cc2cccn2C1)N1CCCO1 585099103 MFHHEMSGEQHZDA-CYBMUJFWSA-N 345.378 1.608 0 40 EDAB CCCn1ccnc1CN1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO 585294766 JVYYBUUPPBHJAO-ZHALLVOQSA-N 329.444 1.923 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccccc1OC)[C@@H]2C 585097015 GPBLRDOCFCAMTC-GFCCVEGCSA-N 346.387 1.415 0 40 EDAB CC(C)C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1Cc2ccccc2O1 42727111 PPNBKOIWWQKVPG-KBPBESRZSA-N 340.445 1.070 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)nc1)N[C@@H]1CCN2CCCC[C@H]12 48070369 OWEJWOOMAYMABS-HZPDHXFCSA-N 345.447 1.667 0 40 EDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2ccccc2F)C1 66690226 WHYSQVIRVFSOIE-BLLLJJGKSA-N 332.375 1.737 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)CN1C(=O)CCOc2ccccc21 65454114 LMRGGCFOQMGHPG-ZDUSSCGKSA-N 328.372 1.204 0 40 EDAB C[C@@H](CNC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)N1CCCC1 65439568 FLYFRSNTFBLNHH-ZDUSSCGKSA-N 343.431 1.549 0 40 EDAB CC(C)CNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 62639854 FZYFPKKCXYJIED-UHFFFAOYSA-N 332.372 1.791 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N2CCCC2)C1 69892527 GATCDZHOYNKLEA-ZIAGYGMSSA-N 325.453 1.986 0 40 EDAB O=C(c1ccccc1F)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 72346926 DKPCAMKPRZMZPU-UHFFFAOYSA-N 342.374 1.708 0 40 EDAB O=C(CN1CC(c2nc(-c3ccsc3)no2)C1)N1CCOCC1 85467305 SHHFMNBXJVEUBP-UHFFFAOYSA-N 334.401 1.056 0 40 EDAB COC(=O)[C@H](CNS(=O)(=O)c1cn(CC(C)C)cn1)CC1CC1 579966509 JQUYGFUPQUIPSF-ZDUSSCGKSA-N 343.449 1.407 0 40 EDAB CCOc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCn3ncnc3C1)CCO2 1615550946 QOPIQJFAAGFXIK-SWLSCSKDSA-N 342.399 1.879 0 40 EDAB COC(=O)CN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)NC1=S 8091981 UGFNYSWDWLAHIO-UITAMQMPSA-N 326.761 1.276 0 40 EDAB CN1C[C@@H](C(=O)NCc2ccnn2C)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772596013 YTQKMHUAESYUSL-VYDXJSESSA-N 344.390 1.487 0 40 EDAB COC(=O)/C=C1\N=C(Nc2nc(C)c3cc(C)c(C)cc3n2)NC1=O 5958223 AARMRUYNMJZIPQ-QPEQYQDCSA-N 339.355 1.510 0 40 EDAB O=c1cc(CSc2nnnn2-c2ccccc2)nc2n1CCS2 14608400 DMULMVOKGSWEBL-UHFFFAOYSA-N 344.425 1.617 0 40 EDAB O=C1NCCN1C(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225735765 SAJPRUQZKNRSLS-JTQLQIEISA-N 344.293 1.699 0 40 EDAB COc1cc(OC[C@H]2COC(=O)O2)ccc1OC[C@H]1COC(=O)O1 627276206 CQBQKTIQVKPFAR-QWRGUYRKSA-N 340.284 1.524 0 40 EDAB COCCCNS(=O)(=O)c1cc2c3c(c1)[C@H](C)C(=O)N3CCC2 5153929 PBMFKUSIJHXOBV-NSHDSACASA-N 338.429 1.398 0 40 EDAB O=S(=O)(c1cc(F)cc(Cl)c1)N1CC(CN2CCOCC2)C1 583652147 ZPBJEYLUGZLFLF-UHFFFAOYSA-N 348.827 1.432 0 40 EDAB CC(=O)c1cccc(OCC(=O)Nc2cccc(-n3cnnn3)c2)c1 6880422 SDWAYMNUWRMZJX-UHFFFAOYSA-N 337.339 1.882 0 40 EDAB CS(=O)(=O)c1cccc2sc(N3CCC(CO)CC3)nc12 1889096839 QHFLOVWTJMBLQG-UHFFFAOYSA-N 326.443 1.909 0 40 EDAB Cc1cnc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)nc1 1776009414 ZPAVEDUDXRXDJM-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB CN1C[C@]2(COCC1=O)CN(Cc1ccc(F)c(F)c1)CCO2 2037984333 XWCGCCILNMMVNT-MRXNPFEDSA-N 326.343 1.024 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)NCCc1ccc(Cl)cc1 3579170 GASJSONKGOIOOV-UHFFFAOYSA-N 342.786 1.804 0 40 EDAB Cn1c(=O)c2c(Nc3ccc4c(c3)OCO4)ccnc2n(C)c1=O 12227532 XBZZAJSULBOKAB-UHFFFAOYSA-N 326.312 1.105 0 40 EDAB CN1CCN(C(=O)/C=C/c2cccs2)C[C@]2(CCCC(=O)N2)C1 2055806657 OFGXLBGOCMVMFN-LXXRFIIISA-N 333.457 1.574 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCN(c2cnsn2)CC1 585148895 LCVYGJZQCDBUOR-UHFFFAOYSA-N 340.430 1.058 0 40 EDAB COc1ncc(NS(=O)(=O)c2cc(F)cc(F)c2)c(OC)n1 585436299 BCVKFXBHVHLRBC-UHFFFAOYSA-N 331.300 1.573 0 40 EDAB Cc1ccc2ncc(C(=O)N[C@@H]3CCCc4c3cnn4C)c(=O)n2c1 24994929 KEHIAUQYUJWBNQ-CQSZACIVSA-N 337.383 1.544 0 40 EDAB COCc1cc(CC2(NCc3ccc4c(c3)OCO4)COC2)no1 67897984 LNOQTTLNQBMWOX-UHFFFAOYSA-N 332.356 1.651 0 40 EDAB biogenic,in-vitro CC(=O)N1CCc2cc(C(=O)NCCCN3CCOCC3)ccc21 40480571 QDASGZKKSZAOEP-UHFFFAOYSA-N 331.416 1.048 0 40 EDAB O=C(Nc1nnc(C(F)(F)F)[nH]1)[C@@H]1CC(=O)N(Cc2ccco2)C1 31277114 DLLNAPQMSVHJHW-SSDOTTSWSA-N 343.265 1.404 0 40 EDAB O=C1NCCC[C@H]1NC(=O)[C@@H](c1ccccc1)N1CCSCC1 50633440 NIQYWTHEFKXTIN-HUUCEWRRSA-N 333.457 1.171 0 40 EDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(CCO)c1ccccc1 31647870 ISQSOOPKEQANCR-UHFFFAOYSA-N 335.381 1.881 0 40 EDAB O=C(NCc1cccnc1OCC(F)(F)F)N1CCC[C@H](O)C1 45942586 NSBBIWIENDAPKZ-NSHDSACASA-N 333.310 1.689 0 40 EDAB COc1ccc2nc(NC(=O)[C@@H]3CCS(=O)(=O)C3)sc2c1 32768017 KSWUMKWTYLBISX-MRVPVSSYSA-N 326.399 1.678 0 40 EDAB Cc1cc(C)n(CC(=O)Nc2cc(F)cc(F)c2)c(=O)c1C(N)=O 32810160 UBSIOKDGNWTIHC-UHFFFAOYSA-N 335.310 1.481 0 40 EDAB Cc1cccn2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nc12 58593675 NSXBTROWRGMVGY-UHFFFAOYSA-N 345.380 1.647 0 40 EDAB Cc1noc(CN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1 32894967 RZGIHMXAYDJYCY-UHFFFAOYSA-N 343.431 1.751 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O 2622008 WKZSBLXSDVYFJM-QGZVFWFLSA-N 342.355 1.779 0 40 EDAB O=C(CN1CCN(Cc2ccccn2)CC1)NCc1cccs1 22011867 HYUBQTNKOBITKY-UHFFFAOYSA-N 330.457 1.577 0 40 EDAB CCOc1cc(-c2nnn(Cc3nnc(N)s3)n2)ccc1OC 12411551 RHIWPXVYPVXOEK-UHFFFAOYSA-N 333.377 1.229 0 40 EDAB Cc1ccccc1CC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 47635329 CCZYGQNYYIUUKT-ZWKOTPCHSA-N 332.444 1.391 0 40 EDAB CCCCn1c(COC(C)=O)nc2cc(S(N)(=O)=O)ccc21 23260597 UUYSPUZDMVRIKG-UHFFFAOYSA-N 325.390 1.547 0 40 EDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccncc2)C1=O 23946117 JWEKBDZXBCBACL-GOSISDBHSA-N 338.367 1.670 0 40 EDAB NC(=O)c1ccccc1NCC(=O)NC[C@@H]1COc2ccccc2O1 24225438 IOBGVNSYLKOJGF-GFCCVEGCSA-N 341.367 1.154 0 40 EDAB CCCc1nnc(NC(=O)NC[C@@H](O)CN2CCCCC2)s1 43555170 UNZBSXAZQFPBQL-LLVKDONJSA-N 327.454 1.459 0 40 EDAB CCCCc1nc(CN2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)no1 107058290 UGDSFINEKORSTN-ZBFHGGJFSA-N 349.479 1.397 0 40 EDAB Cc1nn(CCCNC(=O)[C@H]2CCCO2)c(C)c1Br 27928259 SITPMCCHCNGWIO-LLVKDONJSA-N 330.226 1.948 0 40 EDAB CC(=O)N1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCC2)cc1 67896909 YXAGPKSJLSNSHR-NVXWUHKLSA-N 346.383 1.233 0 40 EDAB biogenic,in-vitro COc1cc(Cl)ccc1CNC(=O)N(C)[C@H](C)CS(C)(=O)=O 69953699 SVIPIQRGLUTGQZ-SNVBAGLBSA-N 348.852 1.923 0 40 EDAB Cc1noc(C)c1[C@H](C)C(=O)N1CCCN(c2cccnn2)CC1 70039691 YEJMFLZBZSRRAN-LBPRGKRZSA-N 329.404 1.924 0 40 EDAB CCCCn1nnnc1CN1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 44889351 MYCGZJVKOQJJCN-ZDUSSCGKSA-N 347.419 1.540 0 40 EDAB CC(C)(C)c1nnc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)o1 44937676 IPBHYSGDUWMHBJ-CYBMUJFWSA-N 336.436 1.438 0 40 EDAB O=C(CCNC(=O)C1CCCC1)NCCOc1ccc2c(c1)OCO2 44953863 APOMXIYQGSOBEU-UHFFFAOYSA-N 348.399 1.607 0 40 EDAB CC(=O)N1CCC(NS(=O)(=O)c2cc(Cl)ccc2C)CC1 44914306 LEIOASOBYCCDQE-UHFFFAOYSA-N 330.837 1.938 0 40 EDAB CNC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 45163660 UKGVLDSBDWUTPP-UHFFFAOYSA-N 344.742 1.773 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCN2C1=O)N1CCC(c2ccccc2)=N1 10699128 HOYOBVPFNSZNLF-CQSZACIVSA-N 326.356 1.050 0 40 EDAB C[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1nnc2ccccn12 48374446 DXFCHVJKSBQERP-NSHDSACASA-N 338.371 1.389 0 40 EDAB O=C(COc1ccc2c(c1)OCO2)NC(=O)NCc1ccccc1 3404251 BTGUUDUIWOWEQW-UHFFFAOYSA-N 328.324 1.820 0 40 EDAB COc1ccc(/C=C/C(=O)N2CCC(CC(N)=O)CC2)c(OC)c1 49392604 JHNWPGSOGHHUJN-GQCTYLIASA-N 332.400 1.831 0 40 EDAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NC(C)C)[C@H]4C2=O)cc1 13624288 FPOROVPGJATQNN-OAFZBRQQSA-N 342.395 1.506 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC(C(=O)O)CC2)C1 13623935 UXUGMLIDQSUODU-CYBMUJFWSA-N 340.420 1.957 0 40 EDAB CN(C)CCN(C(=O)Cn1ncc(=O)c2ccccc21)C1CCCC1 69699348 CCNSFAORJGTUHO-UHFFFAOYSA-N 342.443 1.729 0 40 EDAB CC1=NN(C(=O)Cn2cc(Br)cn2)[C@](O)(C(F)F)C1 6394637 PBYOVJKEJGTECX-SNVBAGLBSA-N 337.124 1.208 0 40 EDAB CN1C[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1=O 69629301 RHGKRPNBXPFCMA-GDBMZVCRSA-N 333.407 1.385 0 40 EDAB NC(=O)CCCNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 65565447 SYDUEVUVJPSZAB-NEPJUHHUSA-N 325.206 1.934 0 40 EDAB Cc1ccccc1COC1CCN(C[C@H](O)CN2CCOCC2)CC1 91815313 NJKMHTSOQSRIIH-IBGZPJMESA-N 348.487 1.669 0 40 EDAB O=C(CCN1C(=O)c2ccccc2C1=O)NC1CCN(C2CC2)CC1 14161767 KPGJBUDBVVWISU-UHFFFAOYSA-N 341.411 1.416 0 40 EDAB C[C@H](NC(=O)CN[C@H]1CCc2ncnn2C1)c1cc2ccccc2o1 69740479 NLCNNRBDCHIWKL-JSGCOSHPSA-N 339.399 1.806 0 40 EDAB Cc1cc(C)n(CCC(=O)N2CCC(c3nnc4n3CCC4)CC2)n1 65611102 JGRPLXZIOLUODZ-UHFFFAOYSA-N 342.447 1.834 0 40 EDAB CC(C)c1ccc(-n2nnnc2SCCCS(N)(=O)=O)cc1 69841285 ZULIVXQKNSXCGV-UHFFFAOYSA-N 341.462 1.556 0 40 EDAB Cc1c(CC(=O)N2CCOCC2)c(=O)oc2cc(O)c(Cl)cc12 4742576 GSVQTCVTDHGLAI-UHFFFAOYSA-N 337.759 1.862 0 40 EDAB Cc1cccc(C)c1-n1nnnc1CN1CCO[C@@H](CN(C)C)C1 69819874 DOSPIHWLLAQJDW-HNNXBMFYSA-N 330.436 1.042 0 40 EDAB C[C@@H](NC(N)=O)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 69924648 MXDGROOVRCZKCO-GFCCVEGCSA-N 330.388 1.789 0 40 EDAB COC(=O)Cc1c(C)nc2nc(-c3ccc(OC)cc3)nn2c1O 8772768 KJAAQUSGNQCBLO-UHFFFAOYSA-N 328.328 1.529 0 40 EDAB CN1C[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1=O 67361414 RXUVWKSWRNRYSH-IRXDYDNUSA-N 329.444 1.493 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2c(C)noc2N)c1C 7252706 VOWBRRINRCELCE-VIFPVBQESA-N 349.343 1.725 0 40 EDAB C[C@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H](c2ccccc2)O1 67830106 SYULENSVKLOSBU-DOTOQJQBSA-N 346.427 1.614 0 40 EDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(F)c(F)c2F)n1 15879389 PSJDOQTYAYVRBA-UHFFFAOYSA-N 330.291 1.500 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)c1cccc2[nH]ccc12 80649570 NALOFVZQGFYOEQ-UHFFFAOYSA-N 335.429 1.617 0 40 EDAB CN(CC(=O)N1CCCc2cc(Cl)cc(F)c21)S(C)(=O)=O 68145521 ARXGSXQLZLDKCQ-UHFFFAOYSA-N 334.800 1.650 0 40 EDAB Cc1nc(CNC(=O)CCn2cnc3ccccc3c2=O)cs1 19938961 YSIYFGKJOQWCAP-UHFFFAOYSA-N 328.397 1.868 0 40 EDAB CC(C)CCNC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 9227425 GMWKTHBINYCGQU-UHFFFAOYSA-N 330.425 1.750 0 40 EDAB NC(=O)C1CCN(C(=O)NCC2(c3ccc4c(c3)OCO4)CC2)CC1 71792656 NSPRXPOPRORGJX-UHFFFAOYSA-N 345.399 1.354 0 40 EDAB COCCN(CCNc1cnn(C)c(=O)c1Br)C1CC1 71903121 SWONURHTOLAWRE-UHFFFAOYSA-N 345.241 1.066 0 40 EDAB O=C(CO)N1CC[C@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 96496673 ALTUAHXMZMBKSP-NEPJUHHUSA-N 348.296 1.181 0 40 EDAB CN(C)Cc1ccc(C(=O)N2CCN(c3nccn3C)CC2)cc1 96436947 JRCIQTMSLNJYLL-UHFFFAOYSA-N 327.432 1.444 0 40 EDAB C[C@@H]1CN(C(=O)CCNCc2cnn(-c3ccccc3)c2)C[C@@H](C)O1 71837110 PSAFQKOZJHAWGE-HZPDHXFCSA-N 342.443 1.988 0 40 EDAB Fc1cccc([C@H](CNc2ncnc3[nH]cnc23)N2CCOCC2)c1 71833167 UMFBDPGEZNWRRM-AWEZNQCLSA-N 342.378 1.977 0 40 EDAB O=C([C@H]1CCCN1C(=O)COCc1ccccc1)N1CCOCC1 71893214 PASYBMUKQMBHAH-MRXNPFEDSA-N 332.400 1.053 0 40 EDAB CN(CC(=O)NCc1ccccn1)C[C@H]1CCCN1c1cccnn1 71860079 RRQKEGGWOGMOEW-MRXNPFEDSA-N 340.431 1.089 0 40 EDAB CCOCCCNC(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 89986924 ZYROBHBHFXLBPO-LBPRGKRZSA-N 343.449 1.463 0 40 EDAB CN(C)[C@H](C(=O)N1CCCN(c2cccnn2)CC1)c1ccccc1 72279587 JEHQGUGVBDUIBH-SFHVURJKSA-N 339.443 1.818 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCC(N3CCN(C)C3=O)CC2)o1 72267490 CJPMKYDRDGCATC-UHFFFAOYSA-N 348.447 1.378 0 40 EDAB C[C@@H](Cc1ccsc1)N1CCN(C(=O)CN2CCOCC2)CC1 97084271 WOQBKMNITHWMEH-HNNXBMFYSA-N 337.489 1.156 0 40 EDAB NC(=O)[C@@H]1CN(CCCc2ccccc2Br)CCO1 97085880 IDMAOIBEUIIPJD-ZDUSSCGKSA-N 327.222 1.568 0 40 EDAB Cn1cnn(CC(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1=O 97048239 OWFNIKHYUWWNOM-PWSUYJOCSA-N 340.305 1.273 0 40 EDAB COC(=O)c1ccccc1CS(=O)(=O)N(C)CCn1cccn1 72301965 LACFOUDZPWRJEW-UHFFFAOYSA-N 337.401 1.132 0 40 EDAB O=C(NC1CC1)C1CCN(Cc2nc3ccccc3[nH]c2=O)CC1 97201035 TUYKGTABULYTBC-UHFFFAOYSA-N 326.400 1.414 0 40 EDAB CCCc1cc(NCCN2CCC[C@H](C(N)=O)C2)n2nccc2n1 72423963 QOTCDOCNVCNWOD-ZDUSSCGKSA-N 330.436 1.291 0 40 EDAB COCCCN(Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 97473015 PSGWTNWZGNPREQ-HNNXBMFYSA-N 327.446 1.721 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(CCCOc3ccccc3)C2)C1=O 84597340 MZXJDZHTJYLFDN-SFHVURJKSA-N 331.416 1.860 0 40 EDAB COC(=O)C[C@H]1NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccn[nH]1 95115679 NSOZICLMBWKULA-KWWJGWKXSA-N 341.371 1.579 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3cc(C(N)=O)cs3)CCO2)n1 84630842 UINMRGLWTFSBAT-JTQLQIEISA-N 349.416 1.302 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)CC1 84630824 DXOPYUZZFFWANE-CQSZACIVSA-N 349.435 1.087 0 40 EDAB C[C@@H](Cc1ccc(Br)cc1F)NC(=O)[C@H]1CCC(=O)N1 95394162 AFKGYYKJVULYCM-QPUJVOFHSA-N 343.196 1.914 0 40 EDAB CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2cccn2C)cc1 95427722 UVXIWYADMZGNIL-AWEZNQCLSA-N 329.400 1.707 0 40 EDAB O=C(CN1CCCCC1=O)N1CCN(c2ccncc2Cl)CC1 95437752 YZBDBIZQURINGS-UHFFFAOYSA-N 336.823 1.396 0 40 EDAB C[C@@H](O)C(=O)N1CCN(C(=O)CCc2ccc3ccccc3c2)CC1 95451928 GUMLPDHWEDVDOQ-OAHLLOKOSA-N 340.423 1.824 0 40 EDAB CC[C@H]1CN(C(=O)Cn2nc(C)c3ccccc3c2=O)C[C@H]1N(C)C 84735542 VAGSYSWYTGXKIZ-WMLDXEAASA-N 342.443 1.504 0 40 EDAB O=C(NC1CCC(NC(=O)C2(O)CCCC2)CC1)C1(O)CCCC1 95973791 DQHWXVJPWABISJ-UHFFFAOYSA-N 338.448 1.140 0 40 EDAB Cc1nc(C[C@H]2CCCN(c3cc(-n4cccn4)nc(N)n3)C2)no1 95994736 FBAJUXALVIFPRW-GFCCVEGCSA-N 340.391 1.395 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CNc1ccc(C(F)(F)F)nn1 95985539 DIMRZVWFIBLGJA-VIFPVBQESA-N 348.325 1.611 0 40 EDAB CC(C)[C@@H](NC(=O)NC[C@H]1CCCO1)c1nc(-c2nc[nH]n2)no1 95972965 JUAWVNIMYCRICN-NXEZZACHSA-N 335.368 1.030 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCC(CCN(C)C)CC2)c1 95939428 UELRCLBUNZFFEA-UHFFFAOYSA-N 328.482 1.816 0 40 EDAB Cc1cc(C(=O)NCC(=O)NCc2ccc(CO)c(F)c2)c(C)o1 89580313 NNMWYCHIGHDRSC-UHFFFAOYSA-N 334.347 1.574 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(F)c2F)C1 20017065 DFKZDFGKYKKISZ-MRVPVSSYSA-N 336.335 1.714 0 40 EDAB CO[C@H]1CCN(S(=O)(=O)c2ccccc2)[C@H]1Cc1cnn(C)c1 306125048 CFRRSNYARQRNAD-HOTGVXAUSA-N 335.429 1.441 0 40 EDAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)N1CCC[C@H]1CO 121010950 FXCKGFPDXHEOJL-VIFPVBQESA-N 334.269 1.766 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@H](CO)C(C)(C)C)cc1 128386192 HTBQJVKTLJFNTL-CQSZACIVSA-N 328.434 1.673 0 40 EDAB O=C1C[C@H](N2CCCC[C@@H]2CCO)C(=O)N1c1ccc2c(c1)OCO2 35999554 WTBPWODZGGDVRU-OCCSQVGLSA-N 346.383 1.284 0 40 EDAB CC(C)(C)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 35686499 NJZIQKVIPXKCBR-AWEZNQCLSA-N 333.432 1.571 0 40 EDAB COC(=O)C1=C(C)OC(=O)[C@@]1(NC(=O)c1ccccc1)C(F)(F)F 51193942 AJVMRBOZSCMHNR-CQSZACIVSA-N 343.257 1.721 0 40 EDAB CN(CC(=O)NCC1CCCCC1)S(=O)(=O)c1cccnc1 33146835 MIFSGVWHYXWIEN-UHFFFAOYSA-N 325.434 1.399 0 40 EDAB COCCOc1cccc(C(=O)N2CCc3nc(N)ncc3C2)c1 558715347 QISYLXQXIYYHHS-UHFFFAOYSA-N 328.372 1.283 0 40 EDAB CC[C@H](NC(=O)N1CCc2c(nc(N)[nH]c2=O)C1)c1ccccc1 72163852 VCWRWJKAIKGQOE-ZDUSSCGKSA-N 327.388 1.571 0 40 EDAB COC[C@@H](NS(=O)(=O)c1cc(C(=O)O)co1)c1ccc(C)o1 564654177 ZFEQHYOZXSPCTN-SNVBAGLBSA-N 329.330 1.545 0 40 EDAB Cc1ccnn1CCC(=O)N1CCC[C@H](c2ccnc3ncnn23)C1 72334861 PHCVOFFOQSMLCY-AWEZNQCLSA-N 339.403 1.426 0 40 EDAB COc1ncc(CN2CCC[C@H](Cc3ccc(N(C)C)nn3)C2)cn1 72369277 WWJWMWSDGYMZLJ-CQSZACIVSA-N 342.447 1.796 0 40 EDAB Cc1ccc(-c2cc3nc(SCC(N)=O)n(N)c(=O)c3s2)cc1 36646156 ZSECUCFWJVSOEX-UHFFFAOYSA-N 346.437 1.725 0 40 EDAB COc1cccc(OCC(=O)N2CC[C@H](Oc3cnsn3)C2)c1 670433378 WLFZMHWDCHBCAF-ZDUSSCGKSA-N 335.385 1.605 0 40 EDAB Cc1noc(C)c1CCNS(=O)(=O)c1ccsc1C(=O)O 563071538 FPIKTFARTJFXPP-UHFFFAOYSA-N 330.387 1.572 0 40 EDAB C[C@@H](c1nnnn1-c1ccccc1)N1CC[C@@H](CN2CCOCC2)C1 195530847 AXSPTXSINIBWFB-HOTGVXAUSA-N 342.447 1.377 0 40 EDAB CNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)nc1 568944662 UPWSGYZNPWCARL-ZDUSSCGKSA-N 344.415 1.561 0 40 EDAB O=C(CN1CCS(=O)(=O)C[C@@H]1C1CC1)Nc1cccc(F)c1 521545854 PZMKBRIBMFZXOG-CQSZACIVSA-N 326.393 1.273 0 40 EDAB Cn1nc(C(=O)N2CCc3ccccc32)c2c1CCS(=O)(=O)C2 41070395 MRJZSGGRCJXIHH-UHFFFAOYSA-N 331.397 1.094 0 40 EDAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCCCN1CCOCC1 42646550 PGIJUUYOYVEWRI-UHFFFAOYSA-N 347.459 1.761 0 40 EDAB C[C@H](C[S@@](C)=O)NS(=O)(=O)c1c(F)c(F)cc(F)c1F 193829286 UFTREVXHBUTACO-WZNIZKBGSA-N 333.328 1.288 0 40 EDAB O=S(=O)(c1cccc(-c2nnc3n2CCOC3)c1)N1CCCC1 574863394 GLHGWNJCYVFJEI-UHFFFAOYSA-N 334.401 1.260 0 40 EDAB O=C(NCc1ccco1)c1cnc(O)n(Cc2ccccc2F)c1=O 75172514 BLAUDADBYXJHSR-UHFFFAOYSA-N 343.314 1.659 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cnc3ccnn3c2)cc1 225573514 LFIDCNBKIHNKDK-UHFFFAOYSA-N 345.384 1.232 0 40 EDAB COc1ccc(NC(=O)c2cc(N3CCOCC3)on2)cc1OC 224076765 BPPBDRQMSCRYBD-UHFFFAOYSA-N 333.344 1.781 0 40 EDAB CCOc1ccncc1S(=O)(=O)N1CCC2(CCNCC2)CC1 583155080 PLVDVCJWSQPIAO-UHFFFAOYSA-N 339.461 1.635 0 40 EDAB Cn1nnc2c1[C@H](COCc1ccccc1)CN([C@@H]1CCOC1)C2 96198610 KZDRHVIIGDEPPD-JKSUJKDBSA-N 328.416 1.720 0 40 EDAB CN1CCO[C@H]([C@H](NC(=O)c2cc[nH]n2)c2ccc(Cl)cc2)C1 96487468 GKJSTSAVWZSRTM-LSDHHAIUSA-N 334.807 1.865 0 40 EDAB c1coc(CN2CCO[C@@]3(COCCN(Cc4ccncc4)C3)C2)c1 96229440 RTHCNUUETCQRGH-LJQANCHMSA-N 343.427 1.778 0 40 EDAB Cc1cccc(N2CCN(CCC(=O)Nc3cnn(C)c3)CC2)c1 96427138 SZEUJEFRTKZWPD-UHFFFAOYSA-N 327.432 1.879 0 40 EDAB CCCS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(C)cc(F)c2)C1 96430858 GWIAVEIDFDEUFP-CQSZACIVSA-N 328.409 1.678 0 40 EDAB O=C(O)[C@H]1CCCN(c2nccn(Cc3ccc(F)cc3)c2=O)C1 96530555 KZFCNXUZEPIKQV-ZDUSSCGKSA-N 331.347 1.732 0 40 EDAB CCN1C[C@@]2(CC1=O)CN(Cc1ccoc1)CCN(C(=O)N(C)C)C2 96062579 JQPCOARKIJOILB-GOSISDBHSA-N 348.447 1.317 0 40 EDAB O=C(NC1CC(F)(F)C1)[C@]12COC[C@H]1CN(C1CCOCC1)C2 96206817 BCDRRPHGLXZOBT-IAQYHMDHSA-N 330.375 1.028 0 40 EDAB COCCN1C[C@@H](C)[C@@]2(COCCN(C(=O)c3ccncc3)C2)C1 96202382 QMLDPZMREXMXOP-QAPCUYQASA-N 333.432 1.139 0 40 EDAB O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@](O)(Cn2ccnn2)C1 578458333 RFSZSWYNIOJAJI-KRWDZBQOSA-N 325.372 1.427 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2ncccc2C(F)(F)F)C1 97235610 FSIWEXJVHNIWRP-JTQLQIEISA-N 337.367 1.614 0 40 EDAB CCOC[C@@H]1CN(S(=O)(=O)Cc2ccccc2)Cc2nccn2C1 96187807 RFUNBDRHIIITJV-INIZCTEOSA-N 349.456 1.881 0 40 EDAB CCOCC(=O)N1CCOC[C@]2(CN(Cc3ccco3)C[C@H]2C)C1 96202398 CEPMMFIHOZSJJY-QAPCUYQASA-N 336.432 1.613 0 40 EDAB CCOC(=O)[C@]12CCCN(Cc3ccoc3)C[C@H]1CN(C(C)=O)C2 96056000 FRMNOXYYPAZKGH-WMZOPIPTSA-N 334.416 1.903 0 40 EDAB CN1C(=O)C2(CCN(S(=O)(=O)C3CC3)CC2)[C@H]1c1ccccc1 96244744 ZRTDQWALNICHGR-OAHLLOKOSA-N 334.441 1.774 0 40 EDAB O=C(NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@H]1CCCO1 96199259 WXNHPCIGYDLCPJ-DZGCQCFKSA-N 346.362 1.278 0 40 EDAB Cn1nccc1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 583621000 GOTDHTHBYUQBRS-CJNGLKHVSA-N 325.372 1.050 0 40 EDAB COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)c1cnn(C)c1 96455968 OHVUKRLMZSBULR-OAHLLOKOSA-N 344.346 1.555 0 40 EDAB Cc1cc(C)cc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 96306488 AHXXLRBZWJOOBZ-UHFFFAOYSA-N 339.399 1.972 0 40 EDAB O=C1CN(CC2CC2)[C@@]2(CCN(C(=O)Nc3ccccc3)C2)CN1 96238274 BLBLWMSXQNAUTO-SFHVURJKSA-N 328.416 1.505 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cn1cnc3sccc3c1=O)C2 97198266 VKQCVIPQZIDTTF-LLVKDONJSA-N 343.412 1.094 0 40 EDAB Fc1cnc(N2CC3(C2)OCC[C@@H]3COCc2ccncc2)nc1 247494824 COUMTFHXNPSDCW-CQSZACIVSA-N 330.363 1.823 0 40 EDAB Cn1ccc(C(=O)N2CC3(C2)OCC[C@H]3COc2ccccn2)n1 248150720 UAMXOTVQEVSXEZ-ZDUSSCGKSA-N 328.372 1.125 0 40 EDAB O=C([C@H]1CCOC1)N1CCOC[C@H]1c1ncnn1-c1ccccc1 252506639 WBVWNLQODSRXKN-ZFWWWQNUSA-N 328.372 1.204 0 40 EDAB Cc1ccc(CN2CC[C@@H](N3C(=O)[C@H]4CCCN4C3=O)C2=O)cc1 253429744 DFIMXRICEBIZKJ-HUUCEWRRSA-N 327.384 1.523 0 40 EDAB O=S(=O)(CN(O)CS(=O)(=O)c1ccccc1)c1ccccc1 255189031 NHAKAQWMXJMWMG-UHFFFAOYSA-N 341.410 1.540 0 40 EDAB CCN(C(=O)CCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1 585126039 MADLUWVDANAZSY-UHFFFAOYSA-N 340.445 1.311 0 40 EDAB C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)N=[S@](C)(=O)N(C)C 585115650 LWUJJVQPVKKHIK-FVINQWEUSA-N 337.442 1.638 0 40 EDAB O=S(=O)(c1cccs1)N1CCOC[C@H](Cc2ccncn2)C1 257255024 KFUIKSCPZJBGLV-GFCCVEGCSA-N 339.442 1.418 0 40 EDAB CCn1cc(S(=O)(=O)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cn1 585115041 JYEGTUIZMSECCW-GASCZTMLSA-N 346.456 1.660 0 40 EDAB Cc1noc([C@H]2CN(Cc3scc4c3OCCO4)CCN2C)n1 585117421 CCBMNEXKOWXEMJ-LLVKDONJSA-N 336.417 1.699 0 40 EDAB O=C(Cn1cccn1)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257227232 FOFQFMBGUPNGGE-ZDUSSCGKSA-N 326.360 1.385 0 40 EDAB COCCN1C(=O)C[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccccc1OC 257216162 CTKIVXABNAETBH-QAPCUYQASA-N 346.427 1.854 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 296802522 PGYZZLBADSCBKC-TXEJJXNPSA-N 330.392 1.427 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccc(OC(C)C)cc2)CCN(C(C)=O)C1 257276433 NTSYFIDHVUEHLJ-QGZVFWFLSA-N 347.459 1.500 0 40 EDAB CCn1nccc1-c1cnc(C[C@H]2CCN(S(C)(=O)=O)C2)cn1 257343507 ZTHIRNRLRQBSRI-GFCCVEGCSA-N 335.433 1.184 0 40 EDAB Cc1cc(C)n(-c2cc(NC(=O)Cn3nnc4ccccc43)ncn2)n1 96119975 STHRRFHZSCSTHA-UHFFFAOYSA-N 348.370 1.663 0 40 EDAB O=C(NCCn1nc(C2CC2)ccc1=O)NCc1ccc(F)cc1 575609639 YPHPBTPMSCIXSG-UHFFFAOYSA-N 330.363 1.759 0 40 EDAB CC(C)CCNC[C@]1(O)CN(C(=O)CCc2ccccc2)CC[C@H]1O 585285910 NOIXBRCBXDTNME-QUCCMNQESA-N 348.487 1.579 0 40 EDAB O=C(c1csnn1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 585108840 SWRJTBIMNRHIHG-KKUMJFAQSA-N 346.412 1.522 0 40 EDAB CC(C)(C)OC(=O)NCc1nnc(CNC(=O)OC(C)(C)C)n1N 54363738 LLNGMXNUBNNBAD-UHFFFAOYSA-N 342.400 1.041 0 40 EDAB in-vitro O=c1c(Br)cncn1Cc1nccn1CC(F)(F)F 95414761 OGWQNWXWPSBBER-UHFFFAOYSA-N 337.099 1.813 0 40 EDAB CC(C)(C)c1nc(C(=O)N[C@H](C(=O)O)[C@H](O)c2ccncc2)cs1 1615003196 HBFNCTXUBSRFCS-NWDGAFQWSA-N 349.412 1.752 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@H]1NCCOc2ccccc21 1615614375 GKPLQJZGIMWOTL-INIZCTEOSA-N 326.400 1.487 0 40 EDAB C[C@H](c1nc(C2CCCC2)no1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1616039443 WTCMNLKCBOVJRN-JOLIMNQDSA-N 331.372 1.951 0 40 EDAB O=C(COC(=O)c1ccccc1O)NC[C@@H]1COc2ccccc2O1 5216399 XFAYGXMFWFBKEP-GFCCVEGCSA-N 343.335 1.505 0 40 EDAB O=C(O)[C@H]1[C@@H](C(=O)N2CCN(c3ccccn3)CC2)[C@H]2CC[C@@H]1C2 13320912 KCGOCEMXIFSLLQ-LQKXBSAESA-N 329.400 1.477 0 40 EDAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1cc(=O)[nH]c(N2CCCC2)n1 19580442 CNPDIBAVPSCYMB-NSHDSACASA-N 345.403 1.395 0 40 EDAB Cc1oc2nc3c(c(=O)n(CC(=O)C(C)(C)C)c(=O)n3C)n2c1C 8706374 SPYNPMIYRFVAGS-UHFFFAOYSA-N 332.360 1.173 0 40 EDAB Cc1noc([C@H]2C[C@H](F)CN2C(=O)Cn2nnc3ccccc32)n1 1888890722 PQSUWWHLOPXHBE-GXFFZTMASA-N 330.323 1.434 0 40 EDAB Cn1cnc2ncnc(N3CC[C@](F)(C(=O)Nc4cccnc4)C3)c21 1888890957 SEUBTEUAFIPUQB-MRXNPFEDSA-N 341.350 1.315 0 40 EDAB Cc1ccc(N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)nn1 1889077212 KJACJRWXKHTKLA-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB CCc1ncnc(N2C[C@@H]3CN(c4ncncc4C)C[C@H]3C2)c1F 1889077975 IGUXZZASDRRXBE-STQMWFEESA-N 328.395 1.849 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1n[nH]c(C(F)(F)F)n1 26254749 IGWGCNSLQHMBHZ-UHFFFAOYSA-N 338.249 1.172 0 40 EDAB Cc1cc(C(=O)NCc2nnc3ccc(-c4ccsc4)nn23)[nH]n1 239808057 KFGDEXIHJHCKFQ-UHFFFAOYSA-N 339.384 1.814 0 40 EDAB O=C(N1CCC[C@]2(COCCN(c3cnccn3)C2)C1)C1(F)CCC1 1565543922 YTXOBRXTHZOGCL-QGZVFWFLSA-N 348.422 1.814 0 40 EDAB O=C(c1ccccc1)N1CCO[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 1565542832 WNBXVHANXHTMPQ-FXAWDEMLSA-N 336.391 1.811 0 40 EDAB O=C(c1csnn1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 1565551835 SSXKWMUZKRFCSE-GJZGRUSLSA-N 345.428 1.049 0 40 EDAB CC(C)CC(=O)N[C@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O 9340463 CXKCJGXTWUIRPA-ZDUSSCGKSA-N 335.326 1.902 0 40 EDAB CCCNC(=O)Cn1cc(OC)c(=O)cc1CSc1ncccn1 9815137 MWRDYCPIBDWKBH-UHFFFAOYSA-N 348.428 1.465 0 40 EDAB CCOCCCNC(=O)c1ncn2c1CC[C@H](C(=O)NC(C)C)C2 2055714932 ZYTCGNXDPWAENL-ZDUSSCGKSA-N 336.436 1.127 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H]3C[C@@H](C(=O)NC4CCC4)O[C@H]3C2)cn1 2055719494 UQKAJFCCIMWABR-JQFCIGGWSA-N 343.427 1.678 0 40 EDAB C/C=C\C(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23232098 ZJNDLMLRAAZFFM-IHWYPQMZSA-N 330.367 1.022 0 40 EDAB Cc1noc(C)c1CC(=O)NCCn1cc(-c2cccnc2)cn1 585148361 HNQINEBIGXFTED-UHFFFAOYSA-N 325.372 1.909 0 40 EDAB O=C(c1ccc(N2CCOCC2)cc1)N1CC(Nc2ccncn2)C1 618256763 WSKRYNILDFOHKL-UHFFFAOYSA-N 339.399 1.250 0 40 EDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@]1(O)CCc2ccccc21 75155757 LOJCJNSAGVRVHE-LJQANCHMSA-N 342.370 1.392 0 40 EDAB O=C(O)c1ccc(CN[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 86239 JKHKCHZFCXUDFQ-OAHLLOKOSA-N 342.326 1.946 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@@H](C)N2CCOCC2)cc1 30338097 HTWPJHQGBVGNMB-CYBMUJFWSA-N 328.434 1.084 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](CN)C1 50246906 LFRRZILSWZIPPW-VIFPVBQESA-N 349.250 1.427 0 40 EDAB CC(C)CCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C 180630 CNRARLMQWKFSQQ-UHFFFAOYSA-N 333.436 1.850 0 40 EDAB CN1CCN(C(=O)c2ccccc2NC(=O)c2cnccn2)CC1 40493698 AWHUWSGLELZNES-UHFFFAOYSA-N 325.372 1.117 0 40 EDAB CCOC(=O)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 488267 HFONFDOIGODJRZ-FLTUCWPJSA-N 343.335 1.234 0 40 EDAB O=C(O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)[nH]c2c1 40478859 YDFWNWWYTYVKQJ-UHFFFAOYSA-N 340.291 1.165 0 40 EDAB CC1CCN(S(=O)(=O)N2CCC[C@@H]2c2nnc3ccccn23)CC1 40496154 AVDLGSSMZPKCSY-CQSZACIVSA-N 349.460 1.843 0 40 EDAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=O 2624787 KDWOQCZVSZICCJ-LDYMZIIASA-N 338.351 1.884 0 40 EDAB CC(=O)Nc1nc(C(=O)NCCc2ccc3c(c2)OCO3)cs1 40513983 SUZRATFPTGPBBB-UHFFFAOYSA-N 333.369 1.803 0 40 EDAB Cc1ccccc1-n1nnnc1Cc1nnnn1-c1ccccc1C 4320516 KIPDAJMOTCBPIY-UHFFFAOYSA-N 332.371 1.846 0 40 EDAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)[C@@H]2C=C[C@H]1C2 6699593 IPNXCJKQLZETLC-OHFALNGGSA-N 332.444 1.986 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)NCc1ccco1 7292856 LCQZFXVDIAPXRV-UHFFFAOYSA-N 340.339 1.642 0 40 EDAB COc1ccc(C(=O)Cn2nnc3ccccc3c2=O)cc1OC 7888225 OTSFWBCCVFHOIN-UHFFFAOYSA-N 325.324 1.692 0 40 EDAB O=c1[nH]c2c(c(=O)n1CCO)C1(CCCCC1)Cc1ccccc1-2 20745676 RDTDIRRXEIYGEP-UHFFFAOYSA-N 326.396 1.954 0 40 EDAB Cc1cc(CN2CCN(CCS(=O)(=O)c3ccccc3)CC2)on1 29594641 HGKFELGVVHASSP-UHFFFAOYSA-N 349.456 1.575 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1Br 20943748 MVDCKTSDETYFEC-LBPRGKRZSA-N 341.205 1.313 0 40 EDAB C[C@H]1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CCO1 29684315 NADKYIHBAHGVDI-HNNXBMFYSA-N 333.432 1.178 0 40 EDAB CCOC(=O)C1=C(CN(C)Cc2ccccc2F)NC(=O)N[C@H]1C 58149137 VWWBGFQHDQXKDL-NSHDSACASA-N 335.379 1.776 0 40 EDAB C[C@H]1CN(c2ccc(CNc3ncnc4nc[nH]c34)cn2)C[C@@H](C)O1 52219323 CTKMLQRBYNSKTK-TXEJJXNPSA-N 339.403 1.974 0 40 EDAB C[C@H](SCc1nnnn1-c1ccccc1)C(=O)NCC(F)(F)F 32772138 VOCLKSPRDINNEI-VIFPVBQESA-N 345.350 1.963 0 40 EDAB C[C@@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)NC(N)=O 2627324 JGJYHHGYTXVQLH-SECBINFHSA-N 335.385 1.746 0 40 EDAB CC(C)(CNC(=O)Cc1c[nH]c2ccccc12)N1CCS(=O)CC1 75138555 YASZYYUAZXOGJS-UHFFFAOYSA-N 347.484 1.670 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2CCN(Cc3ccco3)C[C@@H]21 108525716 DKZQFDJFARJBQX-HOTGVXAUSA-N 328.372 1.185 0 40 EDAB O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCN(Cc2ccccc2)CC1 32820043 RLSNIEXEFNQSEI-INIZCTEOSA-N 334.441 1.279 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)NCCOc2ccccc2)on1 32929838 DFNRUBWBOITJLB-UHFFFAOYSA-N 338.385 1.093 0 40 EDAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)NC3)c1 57558324 PFEFYVXTAXDWES-UHFFFAOYSA-N 345.380 1.554 0 40 EDAB C[C@H](Nc1cccc(C(N)=O)c1)C(=O)Nc1ccc2c(c1)OCO2 33040137 DTEGXYCCEKVBMR-JTQLQIEISA-N 327.340 1.953 0 40 EDAB Cc1csc(=O)n1CC(=O)OCCN1C(=O)c2ccccc2C1=O 7985117 VOVLTXVEBJBYCJ-UHFFFAOYSA-N 346.364 1.058 0 40 EDAB C[C@H](NC(=O)[C@H](C)N1CC[C@H](C(N)=O)C1)c1cc2ccccc2o1 52961338 RZYGUKSKJSSEHR-OBJOEFQTSA-N 329.400 1.806 0 40 EDAB CCn1nccc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 28219055 BWQJUXBZTRRBDF-UHFFFAOYSA-N 336.417 1.682 0 40 EDAB NC(=O)c1cccc(C(=O)NCCN2CCc3sccc3C2)c1 54220460 FMYHAVPOBLGISK-UHFFFAOYSA-N 329.425 1.635 0 40 EDAB Cc1nc(C(=O)NC[C@H](C)N2CCCC2)nn1-c1ccc(F)cc1 42505877 VJLJUZANRHPOBW-LBPRGKRZSA-N 331.395 1.929 0 40 EDAB O=C(CN1C(=O)CSc2ccccc21)NCCc1cccnc1 23874992 TWOMLWZIFNPOQW-UHFFFAOYSA-N 327.409 1.879 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(=O)n(-c2ccccc2)n1 24477692 CCNSNMMTVUSPHZ-UHFFFAOYSA-N 349.346 1.891 0 40 EDAB C[C@@H](NC(=O)N1CCN(C)C[C@H]1c1ccccc1)c1nncn1C 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CCc1ccc(O)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 58282610 MBEIOEABUREPHN-UHFFFAOYSA-N 348.424 1.575 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)c1cc(-c2ccco2)[nH]n1 44943182 ZQJABDHDEPDWGC-UHFFFAOYSA-N 335.327 1.575 0 40 EDAB COc1ccc(F)cc1[C@@H](C)NC(=O)NC[C@H]1CCS(=O)(=O)C1 44968235 NEYNDJNCOZPOCT-GHMZBOCLSA-N 344.408 1.629 0 40 EDAB C[C@@H](C(=O)NCc1cccnc1OCC(F)(F)F)n1cncn1 44912857 LWHRWSFHMQLXLR-VIFPVBQESA-N 329.282 1.492 0 40 EDAB COc1c(CNC[C@@H](O)COc2c(C)cccc2C)c(C)nn1C 58314899 IWKZCXVSQALFHL-OAHLLOKOSA-N 333.432 1.883 0 40 EDAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2F)c1 12876100 XNCDYKPKETXJNI-UHFFFAOYSA-N 348.352 1.413 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nn2)c1 70004264 BPFIVDHEDZVKKN-AWEZNQCLSA-N 337.387 1.472 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1cccc(N3CCCC3=O)c1)CC2 62640122 YDHGOFZJFRLORP-AWEZNQCLSA-N 339.399 1.458 0 40 EDAB O=C(CN1CCO[C@H](Cn2cccn2)C1)N1CCc2ccccc21 69392116 XLNRUTUANDCCNB-INIZCTEOSA-N 326.400 1.173 0 40 EDAB CNS(=O)(=O)c1ccc(N2CCC[C@@H](c3ncc[nH]3)C2)c(F)c1 91479675 KEZJTUCGQBPGJA-LLVKDONJSA-N 338.408 1.841 0 40 EDAB COc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1 5000074 CVRLETWAHCEHER-UHFFFAOYSA-N 339.351 1.348 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 5060151 NTNGHHXIJSIPNP-CYBMUJFWSA-N 336.369 1.492 0 40 EDAB COCCCN(C(=O)Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 69417102 AQRCRILUPYEYIE-HNNXBMFYSA-N 343.420 1.420 0 40 EDAB Cc1cccc(N2C[C@H](C(=O)N3CCCn4ncnc43)CC2=O)c1 69419123 HJBRFNIAELYMLW-CYBMUJFWSA-N 325.372 1.376 0 40 EDAB C[C@@H](CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 69459004 PXWTVNRDLZHBOD-HOCLYGCPSA-N 338.473 1.968 0 40 EDAB CN1CCN(CCCCNS(=O)(=O)c2cccc(F)c2)CC1 65588747 AABBNEOYOLZTGL-UHFFFAOYSA-N 329.441 1.132 0 40 EDAB Cc1cc(C)n(Cn2ccc(-c3nc4c5cn[nH]c5ncn4n3)n2)n1 6412782 HONXENCWERAFCM-UHFFFAOYSA-N 334.347 1.183 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CCCC[C@H]2Cc2ccccc2)CC1 65623905 HDOBETQSOOIYOX-IBGZPJMESA-N 343.471 1.774 0 40 EDAB C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(C(N)=O)cc1 14245447 ZWSWIUPDIWFVED-QMMMGPOBSA-N 332.389 1.226 0 40 EDAB CCOc1ccc(Br)cc1N[C@@H](C)C(=O)NC(N)=O 69580824 ZBYIHKRLFXCJAN-ZETCQYMHSA-N 330.182 1.843 0 40 EDAB O=C(CNC(=O)[C@@H]1CSc2ccccc2O1)NCc1ccccc1 69570102 YSRXSWIJCCJKSX-HNNXBMFYSA-N 342.420 1.972 0 40 EDAB Cn1cnc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1 91789916 VQDSUXSFZJLAMS-CYBMUJFWSA-N 337.330 1.376 0 40 EDAB CN1C(=O)C(=O)N(CC(=O)c2ccc(Br)cc2)C1=O 5629547 XOELNYNWSFQDRZ-UHFFFAOYSA-N 325.118 1.052 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCC[C@H](n3ccnc3)C2)c2ccccc21 69656622 VGPNJTGZGBNPEI-AWEZNQCLSA-N 339.399 1.400 0 40 EDAB Cc1cnn(C[C@H](C)NC[C@H](O)COc2ccc3c(c2)OCO3)c1 69652118 XQNHYVHJMAKATL-KBPBESRZSA-N 333.388 1.338 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@@H](C)NC(N)=O)C1 69776455 VCWXNZXFMGZPRT-KOLCDFICSA-N 340.811 1.100 0 40 EDAB CC(C)CNC(=O)NC(=O)CSc1nnc(-c2ccco2)n1C 5863804 PGRKNLFUSAPSRI-UHFFFAOYSA-N 337.405 1.649 0 40 EDAB COC(=O)C1CCN(C[C@@H](O)COCc2ccc(OC)cc2)CC1 6936590 BMWWBLAXCKQHKI-MRXNPFEDSA-N 337.416 1.458 0 40 EDAB COC(=O)c1cc(OC)ccc1NC(=O)[C@@H]1CCCN(C(N)=O)C1 69843852 ZGIJLPLQNIZBRZ-SNVBAGLBSA-N 335.360 1.211 0 40 EDAB Cc1n[nH]c2ncc(NC(=O)C(=O)NCc3ccc(F)cc3)cc12 90417257 XEZXAFBGTJLRTN-UHFFFAOYSA-N 327.319 1.660 0 40 EDAB COCCN1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 69976560 LTKUYCGXMUQVLI-UYAOXDASSA-N 348.487 1.706 0 40 EDAB CN(CCOc1ccccc1)CC(=O)N1CC(=O)Nc2ccccc21 7685242 KDJKXEIXNXDCII-UHFFFAOYSA-N 339.395 1.983 0 40 EDAB COc1ccc(CNC[C@@H]2CN(C)CCO2)cc1Br 69929865 SWPKQNVUGXKMST-GFCCVEGCSA-N 329.238 1.878 0 40 EDAB CCn1cc([C@H]2OCC[C@H]2CNCc2ccc(C(N)=O)cc2)cn1 83843496 WJGNDZDPWFRWFQ-RDJZCZTQSA-N 328.416 1.869 0 40 EDAB NC(=O)COCCNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 89783281 QROYTHPJZUWEKZ-NEPJUHHUSA-N 341.205 1.171 0 40 EDAB Cn1cc(N2CCN(Cc3cc(-c4ccccc4)[nH]n3)CC2=O)cn1 93530678 GNLHGJMBJNRMQS-UHFFFAOYSA-N 336.399 1.659 0 40 EDAB COC1CCN(C(=O)/C=C/c2cc3cnn(C(C)C)c3[nH]c2=O)CC1 89893866 RPBKHFRKXUUXKX-SNAWJCMRSA-N 344.415 1.956 0 40 EDAB CC(C)CN1CCC[C@H]1CNC(=O)c1cccc(S(C)(=O)=O)c1 89840187 YMBJFYILYHYETA-HNNXBMFYSA-N 338.473 1.940 0 40 EDAB COCCNC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 71798594 NGYRLZSDMLGWTJ-UHFFFAOYSA-N 338.383 1.768 0 40 EDAB Cn1ccnc1[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1ccccc1 96472402 RRCMGAQUZVIPEI-CVEARBPZSA-N 349.456 1.998 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)N2CCN(Cc3ccccc3F)CC2)c1C 71843905 JAYWQRKSYQVIOD-UHFFFAOYSA-N 344.390 1.484 0 40 EDAB C[C@H](NC(=O)CNC[C@H]1CCCN1c1cccnn1)c1ccco1 71859866 HCBHRZVUVZHROC-UONOGXRCSA-N 329.404 1.505 0 40 EDAB CCN(C(=O)CN1CSCC1=O)[C@H]1CCN(c2ccccc2)C1=O 71890967 BUNPKXHWCUSRBA-AWEZNQCLSA-N 347.440 1.173 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2F)n[nH]1 9837077 ROZAIQNWESBNDL-MRVPVSSYSA-N 337.380 1.937 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H]1OCCc2ccccc21 72285403 ALAJWSMLSDCZDU-QZTJIDSGSA-N 338.407 1.903 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N1CCC[C@H](c2ccn[nH]2)C1 72283009 GLWFCGQAKCLDPW-ZDUSSCGKSA-N 339.461 1.863 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)n1 72267521 RXCPUFUCMLUECL-CQSZACIVSA-N 331.424 1.338 0 40 EDAB C[C@@H]1CCc2c(C(=O)N3CC[C@@]4(C3)NC(=O)NC4=O)csc2C1 72290733 WZWIBGGOMYEXTG-ABKXIKBNSA-N 333.413 1.297 0 40 EDAB CN(C)C[C@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)CCO1 72267638 AQQGBUQYADMZMC-LBPRGKRZSA-N 345.896 1.622 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN(Cc3ccc(C(N)=O)cc3)C2)o1 84258949 HWSRXTRYNPMLJY-INIZCTEOSA-N 328.416 1.788 0 40 EDAB Cc1nnc(CN2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)o1 84291479 VCXXPHWXOVBKKQ-ZDUSSCGKSA-N 331.424 1.090 0 40 EDAB Cn1ccnc1N1CCN(C(=O)Nc2nnc(C3CC3)s2)CC1 72305841 HOJMWUCBTKBHFV-UHFFFAOYSA-N 333.421 1.503 0 40 EDAB CCNC(=O)N1CCN(CC(=O)Nc2sc(C)c(C)c2C)CC1 72558223 DSCBIBLVLCAMST-UHFFFAOYSA-N 338.477 1.959 0 40 EDAB c1cnnc(NC[C@H]2CN(Cc3nnc(C4CCC4)o3)CCO2)c1 78894031 ZRKMGHSDTIMHJE-ZDUSSCGKSA-N 330.392 1.440 0 40 EDAB Cn1cccc1C(=O)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1 95465536 ANUMTXMEIOBINR-HNNXBMFYSA-N 327.384 1.874 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N2CCC[C@@H]2c2nncn2C)n1 95453666 VPGJFXCJIYNQBO-SWLSCSKDSA-N 345.451 1.811 0 40 EDAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)O)c1 95442404 XXNCTCBUFNGREL-OCCSQVGLSA-N 341.429 1.706 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3nccn4ccnc34)CCO2)n1 78894339 VAZWDSBAMXPKDJ-LLVKDONJSA-N 341.375 1.014 0 40 EDAB CN1CC[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CC1=O 95954281 HZTFNRNXUXIZKC-KRWDZBQOSA-N 345.443 1.003 0 40 EDAB CCc1n[nH]c([C@@H]2CN(Cc3nc(N)c4ccccc4n3)CCO2)n1 89289854 QGYAMORRJWCUDN-ZDUSSCGKSA-N 339.403 1.466 0 40 EDAB CN1CCN(c2ncc(CNCCN(C)c3ccccc3)cn2)CC1 89382813 XCFKVSRMDNSYAN-UHFFFAOYSA-N 340.475 1.454 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC(C)C)cc1 408598225 YEIHIJYZDZUSNC-CYBMUJFWSA-N 342.461 1.914 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)NC1CC1)Cc1cccc(Cl)c1 547556789 DIIMGOVQXOBITM-SNVBAGLBSA-N 332.809 1.170 0 40 EDAB COc1c[nH]c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1=O 61721589 OZGAFCCQVCIUKJ-UHFFFAOYSA-N 347.802 1.999 0 40 EDAB C[C@]12CN(NC(=O)Cc3ccccc3)[C@]3(C(N)=O)C[C@H]1CC[C@]23C 35986556 ACGCPENRHIWURT-FDPIWHGQSA-N 327.428 1.626 0 40 EDAB Cc1noc([C@H]2C[C@H](O)CN2C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 519071716 BRLFNFMVALUQHV-QNSTZXKLSA-N 348.403 1.153 0 40 EDAB CC[C@@]1(C)CN(C(=O)NCc2cccnc2-n2ccnc2)CCO1 187770785 RTGMZZIDRZBQRT-KRWDZBQOSA-N 329.404 1.978 0 40 EDAB CCOC[C@]1(N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC 218149553 QMVAOSZZTJCWOU-ILXRZTDVSA-N 327.402 1.050 0 40 EDAB COCCn1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc2ccccc21 79326733 BCVCPSORCTZOBY-CYBMUJFWSA-N 336.413 1.205 0 40 EDAB CC1(C)OC[C@@H]2C[C@]21NC(=O)N=c1cc[nH]cc1Br 529042489 RVKATXXCZLGESE-SDBXPKJASA-N 326.194 1.955 0 40 EDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35375068 OBEZRCYYBPFVDT-YIFVCZAMSA-N 327.384 1.225 0 40 EDAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)C(C)(C)C)C[C@H]1CC2 72391358 HQWZAKCVGAMZMR-HIFRSBDPSA-N 332.448 1.554 0 40 EDAB CC[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)nn3)CC2)CCO1 30849028 VTKPIVZFUQCRIZ-CYBMUJFWSA-N 338.839 1.984 0 40 EDAB Cc1cc(S(=O)(=O)NCC[C@@H](O)C2CCOCC2)ccc1F 217923590 PSWYWTAXXGOAHN-OAHLLOKOSA-N 331.409 1.590 0 40 EDAB COc1c(F)c(F)cc(C(=O)N2CC[C@H](N3CCOC3=O)C2)c1F 670073842 WGMDTKNUUCTTKK-QMMMGPOBSA-N 344.289 1.779 0 40 EDAB C[C@H](CO)N1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 72363665 QTARBEKOLWDGIS-CYBMUJFWSA-N 328.420 1.646 0 40 EDAB Cc1nccn1Cc1cccc(CNC(=O)N[C@@H](C)C(=O)N(C)C)c1 46103257 YYBGDKDFONTROX-ZDUSSCGKSA-N 343.431 1.516 0 40 EDAB Cn1cnc(-c2ccc(C(=O)N3CC[C@@]4(CCCNC4)C3)cc2)n1 567671888 QGJDEUFEJNAPCU-GOSISDBHSA-N 325.416 1.698 0 40 EDAB O=S(=O)(c1ccccc1OCc1nccs1)N1CC(CO)C1 521397043 RWGQOWSYAZNXLQ-UHFFFAOYSA-N 340.426 1.335 0 40 EDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)NCc3cccs3)C2)n1 225406907 NTBSYMBLCZANBS-GFCCVEGCSA-N 347.444 1.967 0 40 EDAB O=S1(=O)CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)C1 44456951 MQXBARXDZFTCIX-GFCCVEGCSA-N 339.438 1.553 0 40 EDAB C[C@@H]1CN(c2ncc3c(n2)CN(C[C@@H]2CCCO2)C3=O)C[C@@H](C)O1 46087064 XKOWQOAPRIFBIG-UPJWGTAASA-N 332.404 1.225 0 40 EDAB COc1cccc(OCC(=O)N2CCN(CCn3ccnc3)CC2)c1 75158010 RYIJFCPKUIKFNQ-UHFFFAOYSA-N 344.415 1.115 0 40 EDAB CN(C)c1cccc2c(S(=O)(=O)N3CCNC(=O)C3)cccc12 199781391 FSCIAUPWRBQROM-UHFFFAOYSA-N 333.413 1.026 0 40 EDAB COC(=O)CCNC(=O)CCCc1nc(-c2ccc(F)cc2)no1 41154621 WTFVWPJJLDGFJP-UHFFFAOYSA-N 335.335 1.878 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)CC(C)(C)C)C1 224382247 IHGBCCKDRAZVCN-CYBMUJFWSA-N 347.525 1.836 0 40 EDAB O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc2ccccc12 83988366 MUVDORRQQRLPQP-HZPDHXFCSA-N 346.452 1.981 0 40 EDAB CCN1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 81463248 KGANKKJUZUPAHJ-CYBMUJFWSA-N 349.397 1.778 0 40 EDAB CC(C)c1nnc(CN2CCC([C@H](O)C(=O)NC3CC3)CC2)s1 528460970 ADGPYQLOUKPOBE-AWEZNQCLSA-N 338.477 1.513 0 40 EDAB Cn1nccc1-c1nc2c(cc1C(=O)O)CCN(CC1CC1)CC2 96189592 TXBNKZGQONKTGJ-UHFFFAOYSA-N 326.400 1.991 0 40 EDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1cnn(C)c1 96410773 HGCQZIVJUTYYPG-AWEZNQCLSA-N 349.822 1.431 0 40 EDAB COCCOc1ccc(C(=O)N(CC(=O)O)C2CCOCC2)cc1 531748327 FHLRMAZMWPISOU-UHFFFAOYSA-N 337.372 1.418 0 40 EDAB O=C(N1CCOCC1)N1CCc2ncc(CN3CCCCC3)n2CC1 96196900 WFNMUHGDVODPCM-UHFFFAOYSA-N 347.463 1.179 0 40 EDAB CC(C)NC(=O)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96223309 XJOBTMKMEXVOOD-CJNGLKHVSA-N 337.399 1.769 0 40 EDAB Cc1nc(CN2C[C@]3(CCN(C(=O)c4cc[nH]n4)C3)CC2=O)cs1 96239372 UBJCKARGWMJDRB-MRXNPFEDSA-N 345.428 1.439 0 40 EDAB CNC(=O)Cc1noc(CSc2nc3cc(F)c(F)cc3[nH]2)n1 96455707 WBGKKXIBYFVUJT-UHFFFAOYSA-N 339.327 1.805 0 40 EDAB Cc1cc(C)n(C[C@@H](C)NC(=O)N2CCN(Cc3ccon3)CC2)n1 96439322 SEWPWIZCCCSOIG-CQSZACIVSA-N 346.435 1.404 0 40 EDAB COC[C@@H]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)CN1C 96207519 YBVJINRBZGNMHS-HNNXBMFYSA-N 338.473 1.808 0 40 EDAB Cn1cc(CN2CCC3(CC2)C[C@H](c2cccnc2)C(=O)N3)cn1 96199457 FQNCNBHQYOKHFM-MRXNPFEDSA-N 325.416 1.453 0 40 EDAB CN(C)CCN1CC2(CCN(C(=O)COc3ccccc3)CC2)C1=O 96202831 PZXPLVRMMYVFEQ-UHFFFAOYSA-N 345.443 1.078 0 40 EDAB CCOC(=O)C1(O)CCN(C(=O)[C@H](c2ccncc2)C(C)C)CC1 330032594 PNCBAQFTYJNWDS-HNNXBMFYSA-N 334.416 1.738 0 40 EDAB O=C(O)C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1 581439666 CXQPLEJMRMDSAE-NEPJUHHUSA-N 329.349 1.035 0 40 EDAB C[C@@H](CN1CCN(C)CC1)NC(=O)NCCOC1CCCCCC1 96411454 BPLURBUXVMMCBX-INIZCTEOSA-N 340.512 1.661 0 40 EDAB Cc1nc(CN2CC[C@]3(CC(C(=O)NCC4CC4)=NO3)C2)cs1 96225474 BPARPSYOUHGTNP-INIZCTEOSA-N 334.445 1.699 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)NCc1cc(Cl)cc2c1OCC2 96013795 KPFBVKPIUJLHKR-JTQLQIEISA-N 335.795 1.754 0 40 EDAB CC[C@]1(C(=O)OC)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230804 ZGXVQNNROBNADB-ZHRONYKTSA-N 334.347 1.023 0 40 EDAB O=C(c1ccncn1)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 247895004 ZOQCAGKKRHJOFK-AWEZNQCLSA-N 342.424 1.789 0 40 EDAB C[C@@]1(O)CCN(S(=O)(=O)c2cccnc2)C[C@H]1Oc1ccccc1 257233079 GNRAJPWAGSRISE-IAGOWNOFSA-N 348.424 1.675 0 40 EDAB CCc1cc(C(=O)N2[C@H]3CCN(C(C)=O)C[C@@H]3C[C@]2(C)CO)no1 257304512 SLZVUYPRVKJPAZ-YLQAJVPDSA-N 335.404 1.071 0 40 EDAB CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1sc2nnc(S)n2c1C 585089374 HZZRRFKBFCLKRQ-NKWVEPMBSA-N 342.446 1.705 0 40 EDAB Cc1cc(N2CCc3nccc(N)c3C2)n2nc(C(F)(F)F)nc2n1 585092368 SLCOJHQSNGRGKF-UHFFFAOYSA-N 349.320 1.991 0 40 EDAB CCc1noc(CCC(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)n1 257258626 KUVPOQHJNWDSDF-ZIAGYGMSSA-N 349.362 1.354 0 40 EDAB Cc1ccc(S(=O)(=O)NCCc2nnc(S)n2C2CC2)cc1 585115364 XSLBPNLQUFPHEV-UHFFFAOYSA-N 338.458 1.731 0 40 EDAB CCc1cc(NC(=O)NCc2cnc(Br)cn2)n(C)n1 585120136 USPZVNBSSMESPL-UHFFFAOYSA-N 339.197 1.857 0 40 EDAB COC[C@]1(C(=O)OC(C)(C)C)CCCN1C(=O)Cc1cnn(C)c1 585123919 OUERNBKWGFRMSE-KRWDZBQOSA-N 337.420 1.312 0 40 EDAB CNC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cccs3)C2)ncn1 257302269 SCFJUDVEQGAGIL-LBPRGKRZSA-N 344.440 1.993 0 40 EDAB CN(C)C(=O)[C@@]1(C)CN(Cc2c[nH]nc2-c2cccs2)CCO1 257212925 CFLGONMUQNVEFH-MRXNPFEDSA-N 334.445 1.817 0 40 EDAB CCCn1cc(Cl)c(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)n1 257281916 ORLOELAPOAPQCK-CHWSQXEVSA-N 326.828 1.228 0 40 EDAB Cn1c(=O)n(C)c2cc(CN3CCC4(CC3)OCCC[C@@H]4O)ccc21 257344349 ZWVMEAHVZQERKB-KRWDZBQOSA-N 345.443 1.383 0 40 EDAB Nc1c(O)nc(O)nc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 266850130 RAYYEKQRHAFANA-UHFFFAOYSA-N 346.362 1.704 0 40 EDAB CCCc1cc(C(=O)N[C@@H]2CCOC[C@@H]2Nc2ccnc(C)n2)no1 1616035912 IQLMZNCGVBNFQV-HIFRSBDPSA-N 345.403 1.725 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)cc1C 575422723 MYBOFTMVYACZAQ-OAHLLOKOSA-N 345.486 1.810 0 40 EDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(Cl)cc2)[C@@H]1O 585281388 WWJKGRFGHOFUGW-OAGGEKHMSA-N 338.835 1.916 0 40 EDAB CO[C@@]1(COc2cccc(F)c2)CCN(C(=O)Cc2cnc[nH]2)C1 585277162 MQKLKIDKKZKJRV-KRWDZBQOSA-N 333.363 1.788 0 40 EDAB Cc1cc(CN2CC3(C[C@H](COCc4cccnc4)CN3C)C2)n[nH]1 585094012 ZMQJBVBUTRJZHI-KRWDZBQOSA-N 341.459 1.836 0 40 EDAB CC(=O)NCCNC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 43141328 ILEFFYQASJHJHM-ZDUSSCGKSA-N 325.434 1.575 0 40 EDAB CCN(CC)C(=O)CN1CCCN(C(=O)c2cccc(OC)c2)CC1 46052247 NKTXZBWCXIYQGF-UHFFFAOYSA-N 347.459 1.712 0 40 EDAB NS(=O)(=O)CCNc1nc(-c2ccncc2)nc2ccccc12 47537561 BFHVLGLJIQIGHE-UHFFFAOYSA-N 329.385 1.392 0 40 EDAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O 48314093 QTMGNOHHGPUVNJ-ZDUSSCGKSA-N 330.793 1.152 0 40 EDAB c1ccc(CN2CCOCC2)c(CNC[C@H]2CNc3ccnn3C2)c1 58326301 SCXRBBHRVXEBMD-INIZCTEOSA-N 341.459 1.547 0 40 EDAB COc1cc(C2(C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)ccc1C 69367998 SSLQHHVSBXLPEM-ZDUSSCGKSA-N 337.441 1.586 0 40 EDAB CCc1ccc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1 69706302 MIOMNBRZDSXHLW-UHFFFAOYSA-N 343.471 1.923 0 40 EDAB CC(C)CC(=O)N[C@H](C(=O)NC[C@@H](O)Cc1ccccc1)C(C)C 69810022 WXJHUEJWYXLMPH-WMZOPIPTSA-N 334.460 1.893 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C2CCCCC2)cc1 69970310 FLPWOMGUFSNKHM-HNNXBMFYSA-N 348.399 1.469 0 40 EDAB CC(C)[C@@H](O)CNC(=O)CNC(=O)c1ccc(Br)cc1 97162587 XHUXNMFBEDANMM-LBPRGKRZSA-N 343.221 1.312 0 40 EDAB CNC(=O)Cc1ccc(-c2noc(C3(C(=O)NC)CCC3)n2)cc1 1615044591 FMFFGRMBAPQRIC-UHFFFAOYSA-N 328.372 1.193 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccnc1 12407143 YZONBPWUAXKQEZ-KRWDZBQOSA-N 339.395 1.282 0 40 EDAB Cc1nnsc1C(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19563445 YGPNVCXMEXZYBN-LLVKDONJSA-N 345.428 1.369 0 40 EDAB Cc1cnc(C(=O)N2CCC[C@H](c3cc(CN(C)C)n(C)n3)C2)cn1 19709042 NPKADJOCXQCEHB-AWEZNQCLSA-N 342.447 1.600 0 40 EDAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3ccco3)CC2)c1=O 575606347 INUUNXIXZODSHM-UHFFFAOYSA-N 344.293 1.671 0 40 EDAB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)NC1CCCC1 4563364 UUFHISSVHVDGAM-UHFFFAOYSA-N 343.383 1.771 0 40 EDAB O=C(NC1CN(c2ccccn2)C1)c1ccc(N2CCOCC2)cc1 1888860112 FQQCOFFXDBUEDJ-UHFFFAOYSA-N 338.411 1.537 0 40 EDAB CC(=O)N1CCN(C(=O)CCN2CCCC2)C[C@@H]1c1ccccc1 1848355287 ZZMLYLQORLQTSD-GOSISDBHSA-N 329.444 1.904 0 40 EDAB O=C(COc1ccccc1)NCCNC(=O)c1cccnc1S 31392310 ZRYQLBLXQFCHEV-UHFFFAOYSA-N 331.397 1.295 0 40 EDAB O=C(CSc1nnc(CN2CCCC2=O)o1)NCc1ccccc1 32691585 MOIGQBXSXMEENM-UHFFFAOYSA-N 346.412 1.601 0 40 EDAB Cc1cnc(OC[C@H]2CCCN(Cc3nnc4n3CCC4)C2)nc1 1776001016 UYCURZALHDPBMD-AWEZNQCLSA-N 328.420 1.614 0 40 EDAB COc1cccc(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c1 2951952 MOIPUFCKLAQFOD-UHFFFAOYSA-N 339.351 1.015 0 40 EDAB O=C(NCc1ccco1)c1ccc(=O)n(Cc2cccc(F)c2)n1 11781355 PJIVUTXIMKBZQU-UHFFFAOYSA-N 327.315 1.954 0 40 EDAB CNC(=O)C[C@H]1C[C@H]2CN(C(=O)c3cc4ccccc4n3C)C[C@H]2O1 2055714907 YAGQQAISEMRWPR-JJRVBVJISA-N 341.411 1.544 0 40 EDAB CN([C@H]1CCCN(c2ccnc(C3CC3)n2)C1)S(=O)(=O)C1CC1 2086889346 MUXSREXIIKRDKC-ZDUSSCGKSA-N 336.461 1.747 0 40 EDAB CCOC(=O)[C@H]1C[C@H]2C[C@@H]1[C@H]1Sc3c(C(=O)OC)ccc[n+]3[C@H]21 35326376 XCOYIPURENTESE-FYGCWZCISA-N 334.417 1.995 0 40 EDAB COc1ccc(CC(=O)N2CC[C@@H](Oc3cnccn3)C2)cc1OC 225792969 KCZREYKFCKHHIN-CQSZACIVSA-N 343.383 1.716 0 40 EDAB CCn1cc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)nc1C 330583052 SNJSBVLMCLUQIE-UHFFFAOYSA-N 340.371 1.080 0 40 EDAB CCOc1nn(CC)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 9070604 JNWYHMMHUMWVDH-UHFFFAOYSA-N 338.389 1.201 0 40 EDAB CCC[C@@H](O)Cc1oc(=O)cc(OC)c1CSC[C@@H](O)C(=O)O 2332242366 KFVNFLYPJPYCBL-MWLCHTKSSA-N 346.401 1.031 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCO1 40024404 SSDCRZYFBQBYNC-VIFPVBQESA-N 325.308 1.995 0 40 EDAB Cc1occc(=O)c1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 40283649 HSGKISBVMQGSQN-UHFFFAOYSA-N 346.358 1.815 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CCO1 40477922 JAYBSFOZLPRLJB-AWEZNQCLSA-N 343.383 1.183 0 40 EDAB COc1ccc([C@H](CC(=O)N[C@H](C)Cn2cccn2)NC(C)=O)cc1 31398466 QASPDZUUCBHJDR-DYVFJYSZSA-N 344.415 1.664 0 40 EDAB CCCCN(C)S(=O)(=O)N(C)Cc1ccc2c(c1)OCCO2 40511319 IJEOYVZAYKZFFW-UHFFFAOYSA-N 328.434 1.866 0 40 EDAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N(C)Cc1cccc(F)c1 40553360 MDUWIYKEEGMJPL-UHFFFAOYSA-N 340.376 1.955 0 40 EDAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccco2)n1CC 4161439 FICAGSFDWKSHNX-UHFFFAOYSA-N 338.389 1.329 0 40 EDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 51135004 DFLXTBJMHDDIIT-OAHLLOKOSA-N 349.412 1.589 0 40 EDAB C[C@@H](S[C@@]1(C)OC(=O)c2ccccc2O1)C(=O)NCC(=O)O 4632733 DXSXAJGKYKXYMX-XLKFXECMSA-N 325.342 1.232 0 40 EDAB in-man COc1ccc(C(=O)N2CCN(CN3C(=O)[C@H]4C=C[C@H]3C4)CC2)cc1 101231607 VEHJCQBZYCQJBP-HOTGVXAUSA-N 341.411 1.197 0 40 EDAB Cc1noc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 29586015 AFDPQSHNZZJODX-UHFFFAOYSA-N 328.298 1.509 0 40 EDAB O=C(NCc1csc(NC(=O)[C@H]2CCCO2)n1)[C@H]1CCCO1 75138457 JRHKNJXAJFMPJH-GHMZBOCLSA-N 325.390 1.056 0 40 EDAB C[C@H](C[S@@](C)=O)NC(=O)N1CCN([C@H](C)c2ccsc2)CC1 108475122 PURUXIIKYBLYBC-VJBOLBCHSA-N 343.518 1.903 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 46238102 SWVFQEUXLZXZMA-PBHICJAKSA-N 337.379 1.382 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 8241375 KNUVAFXUFPAVIJ-SMDDNHRTSA-N 326.393 1.315 0 40 EDAB CCn1nc(C(=O)OCC(=O)NCC(C)C)c2ccccc2c1=O 2647546 GZPWAWVDRSFCOT-UHFFFAOYSA-N 331.372 1.345 0 40 EDAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 52410643 YEJHXVIARJQLPM-UHFFFAOYSA-N 341.433 1.485 0 40 EDAB Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)NN1CCOCC1 2775178 KHFBEMKEKMFFRZ-QMMMGPOBSA-N 340.733 1.788 0 40 EDAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(C)=O)cc2)CC1 557432 UKBDQJHSQNJSAV-UHFFFAOYSA-N 334.445 1.578 0 40 EDAB CCOc1ncccc1CNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 103049117 HCGSTMHRIPASNV-OKILXGFUSA-N 345.399 1.272 0 40 EDAB OC[C@@]12O[C@@H]3CC[C@@H]4[C@H]3[C@@H]1[C@@H]1[C@@H]3[C@@H]2[C@H]2CC[C@@H]5O[C@@](CO)([C@@H]3[C@H]52)[C@H]41 104288832 MNXFVUUNFHGREX-DQJUHBMASA-N 330.424 1.050 0 40 EDAB O=S(=O)(NCCc1ccc2c(c1)OCO2)N1CCCCCC1 22412738 KVVVJTBDWOPNGY-UHFFFAOYSA-N 326.418 1.668 0 40 EDAB COc1cc(C(=O)N2CCc3sccc3C2)ccc1OCC(N)=O 22597714 TXIFZCYHAYBNAR-UHFFFAOYSA-N 346.408 1.819 0 40 EDAB CC(=O)N1CCCC[C@@H]1CC(=O)N1CCC[C@H]1Cn1cc(C)cn1 70015096 KMIIPNVSZYURJN-SJORKVTESA-N 332.448 1.974 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCO[C@H](c2nc(C)cs2)C1 104164091 WBRLFDMCJPRPGE-AZDDOORDSA-N 349.460 1.492 0 40 EDAB Cc1ccc(CNC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1F 23174719 AWTZVSMKZTYPLT-UHFFFAOYSA-N 343.424 1.311 0 40 EDAB CC[C@H](Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)C(=O)OC 54397345 MTOBZVHLBJHSAC-NSHDSACASA-N 330.406 1.309 0 40 EDAB CCc1nnsc1C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 42580130 XEAHTQFORWNUKV-CYBMUJFWSA-N 325.482 1.102 0 40 EDAB C[C@@H](C(=O)NCc1nnc2ccccn12)n1c(=O)oc2ccccc21 25010906 HOSUNXDRDSXJGN-NSHDSACASA-N 337.339 1.515 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(F)(F)F)cc1 25033985 HDKJXQAWHAQPJK-LLVKDONJSA-N 344.289 1.209 0 40 EDAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)C(=O)O 1467760 CNKFCEUBFWDWJK-HQJQHLMTSA-N 349.792 1.816 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@H]1c2ccccc2C[C@H]1O 106774719 CWPYVERXTQICDB-UAGQMJEPSA-N 326.400 1.755 0 40 EDAB Oc1cccc([C@@H]2c3c(-c4ccco4)nnc(O)c3Nc3nnnn32)c1 10297586 MCKAHMJWZFAGOD-CQSZACIVSA-N 349.310 1.829 0 40 EDAB COc1cc(N2C[C@H](C(=O)NC(C)C)CC2=O)cc(OC)c1OC 43728945 HFXOHTGDEQBIHP-LLVKDONJSA-N 336.388 1.590 0 40 EDAB CN1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 23624631 KFFBTXVLQPCAAG-UHFFFAOYSA-N 330.432 1.705 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)c3ccccn3)cn2)CC1 57676721 JSGHBNNQDBRIML-UHFFFAOYSA-N 325.416 1.549 0 40 EDAB CN(Cc1nnc2n1CCCCC2)C(=O)CCNC(=O)C1CCCC1 58086345 KVQOFRAICNSRLF-UHFFFAOYSA-N 347.463 1.659 0 40 EDAB CCN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 58109681 XCKCMFXYPBHVTN-MRXNPFEDSA-N 347.440 1.581 0 40 EDAB Cc1ccc(-c2ncc(C(=O)NCCS(N)(=O)=O)s2)c(C)c1 58217841 BLGVTFMIUKLSKL-UHFFFAOYSA-N 339.442 1.445 0 40 EDAB O=C(Cn1cccn1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 58289245 YYFFWXLPRXBUEM-MRXNPFEDSA-N 348.834 1.726 0 40 EDAB CCOCCCC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 58295342 SGZJNFJFXHLUJQ-UHFFFAOYSA-N 348.443 1.725 0 40 EDAB Cc1cnc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)cn1 44939149 DMUNJRSQFCRRCT-ZDUSSCGKSA-N 327.388 1.335 0 40 EDAB C[C@@H](NC(=O)COCC(F)(F)F)c1ccc(S(N)(=O)=O)cc1 44942615 DJOALJQTDIUCGS-MRVPVSSYSA-N 340.323 1.090 0 40 EDAB C[C@@H](c1nc(-c2ccco2)no1)N1CCC(C(=O)NC[C@@H](C)O)CC1 44951049 GLXUXLXZGLKJKU-NEPJUHHUSA-N 348.403 1.600 0 40 EDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)CCCc1nc(C(C)(C)C)no1 69349170 TYJPMCRJCVVDTE-CQSZACIVSA-N 336.436 1.673 0 40 EDAB O=C(CNC(=O)c1ccccc1)NC[C@@H]1CCN(CC(F)(F)F)C1 58331318 KSXULVPUYCXCOK-LBPRGKRZSA-N 343.349 1.417 0 40 EDAB COc1cc(Cl)ccc1C(=O)N1CCN(CC(=O)N(C)C)CC1 58357124 YARABKSOQXPUJF-UHFFFAOYSA-N 339.823 1.195 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(Cn2ccccc2=O)o1 69347262 ZFFLSVGIVKAITD-ZDUSSCGKSA-N 338.367 1.431 0 40 EDAB Cc1cc2n(n1)C[C@H](CNC1CCN(c3ncccn3)CC1)CN2 58432789 HJGUYJSJFYMMET-CQSZACIVSA-N 327.436 1.282 0 40 EDAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc[n+]([O-])cc1 3301313 FZPUZHYSYHBDIH-UHFFFAOYSA-N 328.368 1.914 0 40 EDAB CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]2COc3ccccc3C2)C1 48339962 XMAXOHCUFYSIRH-CABCVRRESA-N 332.400 1.975 0 40 EDAB C[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cccs1 12821628 PJSXIFWBYVZIBZ-VIFPVBQESA-N 344.396 1.185 0 40 EDAB CCOc1ncccc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 69461457 YUSUBOVZPPJLCH-HNNXBMFYSA-N 348.447 1.153 0 40 EDAB CC1CCC(NS(=O)(=O)CC(=O)NC(C2CC2)C2CC2)CC1 69587168 AIACXGUKGHYXMC-UHFFFAOYSA-N 328.478 1.789 0 40 EDAB COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cccnc1OC 64476212 CZBZFGJAQRSTKX-UHFFFAOYSA-N 336.369 1.986 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)NCc2ncn(C)n2)c(OC)c1 91790042 DDSFJLDVAVBSBH-AWEZNQCLSA-N 345.403 1.879 0 40 EDAB COc1cccc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C)c1O 13684066 QDSGPIPWCQMTHL-CXAGYDPISA-N 349.408 1.680 0 40 EDAB Cc1ncc(CN(C)S(=O)(=O)CCOCC(F)(F)F)s1 69623571 URENCAUBGUJUTN-UHFFFAOYSA-N 332.369 1.792 0 40 EDAB C[C@H](OCC1CC1)C(=O)N1CCN(C(=O)Cc2ccccn2)CC1 69665481 SGSWCFXLPIBRDO-AWEZNQCLSA-N 331.416 1.110 0 40 EDAB CN(C(=O)CN[C@@H]1CCc2ncnn2C1)[C@@H]1CCCc2ccccc21 69740419 PCIQUXZGHBXERC-NVXWUHKLSA-N 339.443 1.719 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2C[C@H](C(N)=O)c3ccccc32)c1 69738727 QEGSAIBJPUUFMJ-LBPRGKRZSA-N 334.372 1.912 0 40 EDAB COC(=O)c1ccccc1OC[C@H](O)Cn1c[n+](C)c2ccccc21 26770599 RIPRMIMUWXSITK-CQSZACIVSA-N 341.387 1.692 0 40 EDAB CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cn1nnc2ccccc21 65568475 RPUZVYNLTIDWIR-FZMZJTMJSA-N 347.444 1.248 0 40 EDAB CCN1CCN(C2CCN(CC(=O)Nc3c(C)n[nH]c3C)CC2)C1=O 69877854 FVPPPKDGBATVCY-UHFFFAOYSA-N 348.451 1.187 0 40 EDAB COc1cc(OC)cc(C(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)c1 4505103 PNAMYQLWFXYBBK-HNNXBMFYSA-N 327.402 1.353 0 40 EDAB CC(=O)N1CCC(NC(=O)NC[C@@H](c2ccsc2)N(C)C)CC1 65626639 GSBNKQVAABSHHG-HNNXBMFYSA-N 338.477 1.661 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccnc(-n2cncn2)c1 69949995 DBLLILYNGUILSF-GJZGRUSLSA-N 326.404 1.361 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)C(C)C)C2=O)cc1 8734583 ITMZGUUFGQINCF-KPZWWZAWSA-N 347.415 1.623 0 40 EDAB NC(=O)CCn1ccc(NCc2ccccc2N2CCOCC2)n1 89814003 WZTIXNNSGLCZEB-UHFFFAOYSA-N 329.404 1.207 0 40 EDAB Cc1ccccc1-c1nnc(S(=O)(=O)CC(=O)N(C)C2CC2)n1C 68142927 YWAUCXHDASQCAL-UHFFFAOYSA-N 348.428 1.185 0 40 EDAB COc1ccccc1[C@@H](NC(=O)c1cnns1)c1noc(C)n1 70982715 MEDQLKPRSLXXOP-GFCCVEGCSA-N 331.357 1.758 0 40 EDAB CC(C)(C)OC(=O)N1CCN2C(=O)c3ccccc3NC(=O)[C@H]2C1 96032945 RBQBODIFHSSVNQ-CYBMUJFWSA-N 331.372 1.700 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3CCOc4ccccc43)CCO2)n1 83829807 UKAFBHPOJVBUQK-ZFWWWQNUSA-N 342.399 1.833 0 40 EDAB Cc1cc(C)n(-c2nc(C)c(Br)c(NCCO)n2)n1 9418666 ZYVIEBIZOPEPSZ-UHFFFAOYSA-N 326.198 1.754 0 40 EDAB COc1cccc(CN2CCO[C@H](CN(C)c3cccnn3)C2)c1 83859295 PLMUJEIADBRBTM-QGZVFWFLSA-N 328.416 1.822 0 40 EDAB COc1cc(Br)ccc1CCCNC(=O)c1cnn[nH]1 96502384 RYAUINPZSNOJEX-UHFFFAOYSA-N 339.193 1.938 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)CCCn1cnc2ccccc2c1=O 89937939 WTKRBPQIJKSBOQ-AWEZNQCLSA-N 328.416 1.339 0 40 EDAB CC(=O)N1CCC(CN2CCN(Cc3nccn3C)[C@H](C)C2)CC1 71863866 ATFCHWBKGDFUHD-OAHLLOKOSA-N 333.480 1.185 0 40 EDAB CC(C)[C@H](NCC(F)(F)F)C(=O)N[C@@H](C)C(=O)NC(C)(C)C 71922192 QTERDKDRDQAZEY-UWVGGRQHSA-N 325.375 1.582 0 40 EDAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1nc2n(c1=O)CCCCC2 71911348 ZWGXLTQIOGKKFX-KFWWJZLASA-N 332.448 1.951 0 40 EDAB COc1cc(CNC(=O)C(=O)Nc2cc(F)c(F)cc2F)ccn1 75584200 XBEATTKADUNJKX-UHFFFAOYSA-N 339.273 1.762 0 40 EDAB CCNC(=O)COc1ccc(CNC[C@@H]2CCc3nncn3C2)cc1 75605568 KYQNYTLHQXSCHT-HNNXBMFYSA-N 343.431 1.145 0 40 EDAB COCCNC(=O)CNc1ncnc2sc3c(c12)CC[C@@H](C)C3 9885351 BCVYMEHXOUXBNA-SNVBAGLBSA-N 334.445 1.991 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)C[C@@H]2CCS(=O)(=O)C2)no1 76043961 KMUZEHRJJKMKOH-WDEREUQCSA-N 327.406 1.120 0 40 EDAB Cc1cc(C)n2cc(CN3CCO[C@@H](c4nc(C)n[nH]4)C3)nc2n1 76047946 VBLDEDDAIDYESC-CQSZACIVSA-N 327.392 1.346 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cn1 72269321 OXMQTFBBNDWENR-JKSUJKDBSA-N 333.432 1.540 0 40 EDAB Cc1cnn(CCNCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 72267509 WWGUMRIDFUOQMG-SFHVURJKSA-N 341.459 1.172 0 40 EDAB Cc1cccc(O[C@H](C)C(=O)OCCn2ncc(C(N)=O)c2N)c1C 72289708 QCPDXLZANVKKEY-GFCCVEGCSA-N 346.387 1.192 0 40 EDAB O=C([C@H]1CCCN1Cc1nnc(C2CC2)n1C1CC1)N1CCOCC1 97083557 WLXAJDQXBZRRIN-OAHLLOKOSA-N 345.447 1.314 0 40 EDAB CN(Cc1ccccc1)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 78518565 WHRBAIYDOQURNW-INIZCTEOSA-N 332.448 1.415 0 40 EDAB CC(=O)c1ccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cc1 78648516 LUJHYXFFMVEYDB-MRXNPFEDSA-N 333.432 1.920 0 40 EDAB O=C(Cc1ccon1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 84528348 GGARKGHKFLKOCP-MRXNPFEDSA-N 327.384 1.567 0 40 EDAB Cc1ccc(NC(=O)CCNC(=O)c2cnc(N(C)C)cn2)nc1 95456857 UHFZBJFZSZLLCK-UHFFFAOYSA-N 328.376 1.005 0 40 EDAB CN1CCO[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2ncon2)C1 95446663 DJYYTQXNEDOZNI-STQMWFEESA-N 336.779 1.259 0 40 EDAB Cc1ccc(CNC(=O)Cn2ncn(C)c2=O)c(OC2CCCC2)c1 95995254 LFAJBJYJZZSLQV-UHFFFAOYSA-N 344.415 1.528 0 40 EDAB C[C@H](C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)S(C)(=O)=O 89369014 AWXJYQBGJHICOE-HIFRSBDPSA-N 325.430 1.627 0 40 EDAB CCCCNC(=O)COc1ccc(S(=O)(=O)NCCC)cc1C 408624545 QRVLZOLTQJHYHB-UHFFFAOYSA-N 342.461 1.978 0 40 EDAB CC(=O)NCC[C@@H]1CCCN(CCn2c(=O)oc3ccccc32)C1 67895262 HNYMLJUFTAHQKM-HNNXBMFYSA-N 331.416 1.833 0 40 EDAB CC(=O)N[C@@H](C)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 60441723 QBGRTUOIEJQECX-NSHDSACASA-N 341.814 1.648 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3cccs3)C[C@@H]1C2 306140644 UZKGBXJSARIRKO-STQMWFEESA-N 345.472 1.782 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)CCCn2cnnn2)c(OC)c1 524735813 ZOTLTLBQHCJWIF-HNNXBMFYSA-N 345.403 1.834 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(Cl)c1 218511462 DZPXMTWLOUKYEI-YDHLFZDLSA-N 345.848 1.749 0 40 EDAB Cc1nc(CN2CCN(C(=O)Cc3ccc4c(c3)COC4)CC2)no1 543523274 MNFAIEHJQUFTIZ-UHFFFAOYSA-N 342.399 1.295 0 40 EDAB COc1ccc(CNC(=O)c2cc(C)nc(N3CCOCC3)n2)cc1 71195530 ZUPULJSZZYEWCU-UHFFFAOYSA-N 342.399 1.560 0 40 EDAB CCC(C)(C)NC(=O)C[S@](=O)Cc1nc(-c2ccco2)no1 78556221 DLCHSNFRCYXSHI-JOCHJYFZSA-N 325.390 1.883 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NCc2ccccc2F)[C@@H]1O)C1CCCC1 77264084 PNODSLVOBDKLBN-ZACQAIPSSA-N 336.407 1.350 0 40 EDAB biogenic,in-vitro O=S(=O)(c1cnccc1SCc1ccccc1)N1CCNCC1 72210661 DUMRBUVDUZYIAT-UHFFFAOYSA-N 349.481 1.968 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)[C@H](c2ccccc2)n2cccc2)CC1 62021922 XJKWQSFEVMXHAD-INIZCTEOSA-N 347.440 1.181 0 40 EDAB O=C(COc1ccccc1F)N1CCN(CCn2cccn2)CC1 62021989 STFRJFLGXCLOCI-UHFFFAOYSA-N 332.379 1.245 0 40 EDAB CN(C)C(=O)CNC(=O)CCCn1cc(-c2ccc(F)cc2)cn1 227167035 VXRJCMLNCAVRHU-UHFFFAOYSA-N 332.379 1.674 0 40 EDAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)cc1 49404529 NUXCEHMXUWUDPQ-UHFFFAOYSA-N 325.368 1.963 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCc2nnc(N)s2)cc1 222643932 SECXUZPAOCAZKH-UHFFFAOYSA-N 328.419 1.388 0 40 EDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2n[nH]c3ncccc23)c1C 40267078 JJZSSAYNWFMDNF-UHFFFAOYSA-N 341.375 1.046 0 40 EDAB CCN(C)S(=O)(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 81183065 FNNLREIBRPAQOL-UHFFFAOYSA-N 349.460 1.848 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)C1 223156201 NBIFMBYSYOSERF-SECBINFHSA-N 346.478 1.943 0 40 EDAB O=C(NCc1cnc2n1CCCC2)NC[C@H](CO)c1ccc(F)cc1 571861379 VICOBZIFHOWYNV-CQSZACIVSA-N 346.406 1.934 0 40 EDAB CC(C)C(=O)N1CC2(CN(Cc3ccccc3)C[C@@H]3C[C@@H](O)CN32)C1 514290446 ZWYWQHNXKXUGRA-ZWKOTPCHSA-N 343.471 1.174 0 40 EDAB biogenic,in-vitro Cc1ccc(CNC[C@@H]2OCCc3cn(CC(=O)N(C)C)nc32)s1 96059729 JYMNFFOARIFADS-HNNXBMFYSA-N 348.472 1.745 0 40 EDAB CN(C)CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccncc1)C2 96229863 KMJYGAVOKVBTPV-LJQANCHMSA-N 344.459 1.631 0 40 EDAB CN1CC[C@@H](CNC(=O)c2cnc(-c3ncccn3)s2)CC1=O 578522892 BHVWCWAKERRKGH-SNVBAGLBSA-N 331.401 1.198 0 40 EDAB CN(C)C(=O)CO[C@H]1CO[C@@]2(CCCN(Cc3ccsc3)C2)C1 96206190 ZZABWWQJYGXIOK-WBVHZDCISA-N 338.473 1.976 0 40 EDAB CCN1CCN(C(=O)c2nnn(Cc3ccccc3)c2Cl)CC1 96184025 QZWOXASGQPJQGZ-UHFFFAOYSA-N 333.823 1.758 0 40 EDAB Cc1noc(C[C@H]2CO[C@@H]3CN(C(=O)Cc4ccsc4)C[C@@H]32)n1 96216395 WMBBBLOWADIRJM-BFHYXJOUSA-N 333.413 1.698 0 40 EDAB O=C(c1ccncn1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 96207732 YYRPKHLZTFGCMF-AWEZNQCLSA-N 327.388 1.372 0 40 EDAB CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)CC1 96181347 BXKFHGBSOQBOOU-AEFFLSMTSA-N 329.444 1.679 0 40 EDAB COCCN1CC[C@H]2C[C@H](C(=O)N(C)Cc3ccccn3)O[C@@H]2C1 96042806 UIVFWZMTUXPXFS-USXIJHARSA-N 333.432 1.166 0 40 EDAB COc1ccc(N2CCC[C@H](C(=O)NCCCOC(C)C)C2)nn1 95476844 MDMPJLULIVTONL-AWEZNQCLSA-N 336.436 1.633 0 40 EDAB O=C(Nc1cc(F)ccc1-n1cccn1)N[C@@H]1CCc2ncnn2C1 97104123 WCHRXDFBHLFWPC-GFCCVEGCSA-N 341.350 1.739 0 40 EDAB CCCCS(=O)(=O)N1C[C@H]2CC[C@@]3(N=C(C)N(C)C3=O)[C@H]2C1 96087539 VCABBIPWMKVATA-VNHYZAJKSA-N 327.450 1.087 0 40 EDAB Cc1ccc([C@@H]2[C@H](C(=O)NCc3ccco3)OCC(=O)N2C)cc1 96181465 NIYWJOWEBQCTCK-IAGOWNOFSA-N 328.368 1.803 0 40 EDAB O=C([C@H]1COC[C@H]2CN(Cc3ccccn3)C[C@H]21)N1CCC(F)CC1 96040780 GJWXEGPDTULGBG-OLMNPRSZSA-N 347.434 1.737 0 40 EDAB CC(C)NC(=O)[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1 96224911 NOOPGQQIXAYAOQ-MRXNPFEDSA-N 334.464 1.706 0 40 EDAB CCn1cnnc1[C@H]1CN(C(=O)NC[C@]2(C)CCCS2)CCO1 583623641 RTWPFCMGMYEVPD-DOMZBBRYSA-N 339.465 1.667 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H]2C(N)=O)c(Cl)cc1F 96472732 OJZBBDSBFDLTEB-KCJUWKMLSA-N 334.800 1.720 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2ccnc3ccccc23)Cc2ccnn21 247936085 HBKLFXARXBHZCU-MRXNPFEDSA-N 335.367 1.374 0 40 EDAB O=C(c1ccncn1)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 247807065 BYENVVCDXNTGCO-LBPRGKRZSA-N 344.346 1.463 0 40 EDAB CO[C@H]1C[C@@H](C(N)=O)N(c2nc(Cl)nc3c2CCCC3(C)C)C1 585091268 HJFMKNPSIZSALK-ONGXEEELSA-N 338.839 1.823 0 40 EDAB COc1ccc(Cl)c(S(=O)(=O)N[C@@H]2C(=O)NCC2(C)C)c1 585094167 KVIQLPDZZJISRH-LLVKDONJSA-N 332.809 1.152 0 40 EDAB COC(=O)C1(CNC(=O)c2cc(Cl)ccc2-n2cncn2)CC1 585089604 ATLIUFIRICGWMJ-UHFFFAOYSA-N 334.763 1.604 0 40 EDAB COc1ccc(CN(C)C(=O)CN2CCO[C@@H](C(F)F)C2)cc1 585080215 KKBNOCXCYRKVAS-CQSZACIVSA-N 328.359 1.620 0 40 EDAB C/C=C(\C)C(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 585127922 MRDMIHMJJZTHGR-GXDWLZFVSA-N 328.409 1.067 0 40 EDAB COc1ccc(C(=O)NCc2cnc([C@@H]3CCN(C)C3)[nH]2)cc1F 257257231 KOQWYWCUSGKDGM-GFCCVEGCSA-N 332.379 1.907 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)Cc2cccnc2)n1 257244856 INBWJXKXEKWEID-CQSZACIVSA-N 327.388 1.364 0 40 EDAB NC(=O)c1cnn2c(C3CCN(Cc4cccnc4)CC3)ccnc12 257309610 UBPSJUUTCKLROW-UHFFFAOYSA-N 336.399 1.603 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)CCCn1cccn1 257322877 WHUKSKPWFCCBIB-INIZCTEOSA-N 343.431 1.622 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257232697 GMADLMNNLYIBEJ-CYBMUJFWSA-N 346.387 1.047 0 40 EDAB COc1ccc([C@H]2CNCCN2C(=O)c2ccc(=O)n(C)c2)cc1 257301680 RZJWVEQXOBRPIZ-MRXNPFEDSA-N 327.384 1.181 0 40 EDAB O=C(NCc1nc(-c2cccnc2O)no1)c1cnc(O)c(Cl)c1 253537731 RVSBOLZFCIUAEE-UHFFFAOYSA-N 347.718 1.521 0 40 EDAB O=C(Cc1cccs1)NC[C@]1(O)CCCN(c2ncccn2)C1 257218662 DEACEZZQHTZIPE-MRXNPFEDSA-N 332.429 1.228 0 40 EDAB CC(C)(C)[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(N)=O)CCO1 279374207 QFEFLCGFLUMPOR-GJZGRUSLSA-N 333.432 1.540 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)[C@@H]1CCN(C)[C@@H]1C 592797878 KWSDZPUOPHTZJO-MUIFIZLQSA-N 332.444 1.863 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)Nc1cnn(C2CCOCC2)c1 96123412 AAUJRSUMOVQCKZ-UHFFFAOYSA-N 339.421 1.386 0 40 EDAB O=C(Cc1ccc(F)cc1)N[C@H]1CCN(c2ccc3nncn3n2)C1 390829950 HQTKMTQODBIOFG-AWEZNQCLSA-N 340.362 1.201 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CS2)C1 575402343 AYLFRFGGVGIKIQ-MCIONIFRSA-N 338.473 1.368 0 40 EDAB Cn1cc(NC(=O)CN2CC[C@H](O)[C@H](Cc3ccc(F)cc3)C2)cn1 585275620 DYJJIPYZIXQGPV-PBHICJAKSA-N 346.406 1.423 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1ccc(-n2cccn2)cc1 585291719 SIKWDLWCKSLDFC-KURKYZTESA-N 331.416 1.733 0 40 EDAB COC(=O)c1cccc(OC)c1CN1CCO[C@H](Cn2cccn2)C1 585141228 RQRFCEBOFYOFCD-AWEZNQCLSA-N 345.399 1.579 0 40 EDAB COCc1nnc2n1CCN(C(=O)Cc1cccc(F)c1)[C@H](C)C2 585098307 TXMXNZGDQZPKIJ-GFCCVEGCSA-N 332.379 1.580 0 40 EDAB O=C(Cc1ccc2c(c1)CCC2)N1CCC(N2CCNC2=O)CC1 55786048 DSINGBFBKKLMIJ-UHFFFAOYSA-N 327.428 1.734 0 40 EDAB Cn1nc(C(F)(F)F)cc1CNC(=O)N[C@@H]1CC12CCOCC2 1548453576 ZXTZIGYOCZYBGJ-LLVKDONJSA-N 332.326 1.807 0 40 EDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc(F)c1 57270831 CIWRKVBBTHJXOB-UHFFFAOYSA-N 331.347 1.815 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)c1 69511019 ZAKNFCUKFYHGGH-CQSZACIVSA-N 340.383 2.000 0 40 EDAB Cc1cnn(C[C@H]2CN(CC(=O)NCCc3ccsc3)CCO2)c1 71186401 CHMXZXQLAQUWJI-MRXNPFEDSA-N 348.472 1.313 0 40 EDAB Cn1cc([C@H]2OCC[C@H]2CNCc2cnc(N3CCCC3)nc2)cn1 84317561 YUHOQIMRQPCTAG-RDJZCZTQSA-N 342.447 1.678 0 40 EDAB C[C@H](NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCCO1 106856377 OTFDUQYIXNUKJD-SZMVWBNQSA-N 332.444 1.961 0 40 EDAB C[C@@H]1OCCN(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)[C@@H]1C 95969970 ZTMPPQPMVZOPBA-YCPHGPKFSA-N 329.404 1.838 0 40 EDAB CN(C)C[C@H]1CSCCCN1C(=O)Cn1c(=O)oc2ccccc21 90700105 WUKKEAKCAKELHP-ZDUSSCGKSA-N 349.456 1.490 0 40 EDAB CN(C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1C[C@@H]2CC[C@H](C1)N2C 1609273295 CEXQRCWZENSDPF-WFVVYAPDSA-N 342.447 1.457 0 40 EDAB CC(C)C[C@H](C)OCCC(=O)N1CCC(O)(Cn2ccnn2)CC1 1615614198 NQTOPYQLGKIIIO-HNNXBMFYSA-N 338.452 1.473 0 40 EDAB CCCn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 13815431 MGNUZCQADUXKIU-UHFFFAOYSA-N 333.436 1.076 0 40 EDAB O=C(Cc1ccccc1O)N1CCc2nc3ccccc3c(=O)n2CC1 19348185 UVTDYWHGFITKCI-UHFFFAOYSA-N 349.390 1.730 0 40 EDAB Cc1c(NC(=O)c2ccn(C)n2)cccc1C(=O)N1CCOCC1 589322623 HPUUANCGGIIVCU-UHFFFAOYSA-N 328.372 1.453 0 40 EDAB O=C([C@H]1CN(c2nc(C(F)(F)F)cs2)CCO1)N1CCCC1 1889095559 YUUPSVSAUOBGSO-SECBINFHSA-N 335.351 1.990 0 40 EDAB O=C1SCCN1CC(=O)N1CCC[C@H]1c1nnc2ccccn12 31504488 DMFHMWSHYMQIAO-NSHDSACASA-N 331.401 1.562 0 40 EDAB CN(C(=O)/C=C/c1cnc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 31610990 VQZBKJCTTNSVBD-YBJDMEARSA-N 331.397 1.289 0 40 EDAB COCCN1C(=O)CC[C@H]1c1nc(CNC(=O)CC(C)(C)C)no1 1775963770 BTSKJOGUYMLIRV-NSHDSACASA-N 338.408 1.432 0 40 EDAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)N[C@H](Cn2nccn2)C(C)C)cc1 238852714 JPUKMFJTVSZAFJ-OAHLLOKOSA-N 338.433 1.680 0 40 EDAB CC(C)N1C[C@]2(COCC1=O)CN(Cc1ccc(F)cn1)CCO2 2037980983 PIWOSXQJXFGTNV-KRWDZBQOSA-N 337.395 1.059 0 40 EDAB CC(C)N1C[C@]2(CCN(C(=O)Cc3cccnc3)C2)COCC1=O 2037984982 UHSXOPREQLXQLJ-GOSISDBHSA-N 331.416 1.110 0 40 EDAB CC(C)N1C[C@H]2CN(C(=O)Cc3cccc(F)c3)CC[C@@H]2OCC1=O 2037985251 CUFFBUAKBOSRIA-WBVHZDCISA-N 348.418 1.853 0 40 EDAB CN(C)CCCC(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037839934 FYTDIRUZEPBECE-LJQANCHMSA-N 345.443 1.363 0 40 EDAB O=C(O)c1cc(Br)cc(NS(=O)(=O)N2CCC2)c1 350830008 KVPOWVIAUGCHKJ-UHFFFAOYSA-N 335.179 1.510 0 40 EDAB COc1cc(C(=O)N2CCC3(CC2)CCN(c2ncccn2)C3)on1 1063594670 PQEDTOTVLWOVKK-UHFFFAOYSA-N 343.387 1.606 0 40 EDAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)C1(F)CCC1)C2 1565544621 OKBRTWKABKTWCN-KRWDZBQOSA-N 346.406 1.223 0 40 EDAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc(C(C)=O)cc1 4785406 INBZNHZYVPGYPY-ZDUSSCGKSA-N 330.340 1.411 0 40 EDAB COc1ccc(S(=O)(=O)NCc2nnnn2-c2ccccc2)cc1 9571163 VEWOTYRPGYQDMH-UHFFFAOYSA-N 345.384 1.149 0 40 EDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4cc(C5CC5)on4)C[C@H]3O2)n[nH]1 2055771827 CDXAIMJLDGZCTQ-NILFDRSVSA-N 343.387 1.971 0 40 EDAB CC(C)NC(=O)c1noc2c1C[C@H](NC(=O)CC1CCOCC1)CC2 2055738922 AJGFFFJMCWQZTD-CYBMUJFWSA-N 349.431 1.603 0 40 EDAB CCC(CO)(CO)NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 97376857 NCRIOCZXVDEFTC-STQMWFEESA-N 342.233 1.802 0 40 EDAB C[C@@H]1CN(C(=O)NCc2ccccc2Cn2cncn2)C[C@@H](C)O1 28400834 APVSWNDKVLTXAZ-ZIAGYGMSSA-N 329.404 1.645 0 40 EDAB COC(=O)CSc1nnc(-c2cc(OC)c(O)c(OC)c2)n1C 412156 LKSNTFGMZZASLY-UHFFFAOYSA-N 339.373 1.470 0 40 EDAB NC(=O)Nc1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1 11188262 VCHLVAJDOUCRSD-UHFFFAOYSA-N 331.401 1.596 0 40 EDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(S(=O)(=O)c2ccccc2)C1 100431304 GDVHRZBZUZQJMU-KBPBESRZSA-N 330.409 1.656 0 40 EDAB CC(=O)N1CCN(CCNC(=O)C(C)(C)c2ccccc2F)CC1 69349652 UEYPZEGLFPENJN-UHFFFAOYSA-N 335.423 1.384 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)N[C@@H](C)Cn3cccn3)CC2=O)c(F)c1 31402571 QLFRVAAWVOVBMQ-UONOGXRCSA-N 344.390 1.888 0 40 EDAB CNC(=O)Oc1cc(CN(C)C)c(OC(=O)NC)cc1CN(C)C 1671481 FQYGLASRTKDTKS-UHFFFAOYSA-N 338.408 1.246 0 40 EDAB CCn1cnnc1CNC(=O)CN1C(=O)CSc2ccccc21 40535104 RWDHZNDGLRSGMS-UHFFFAOYSA-N 331.401 1.053 0 40 EDAB CC1(C)[C@H]2CN(C(=O)NCCS(=O)(=O)c3ccccc3F)C[C@@H]21 101388252 XUFUSHQFRLEDAS-RYUDHWBXSA-N 340.420 1.897 0 40 EDAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(NC(N)=O)cc2)c1 29165523 KEIQGUNLMFQTFH-UHFFFAOYSA-N 348.384 1.801 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccc3c(=O)n(C(C)C)c(=O)[nH]c3c2)CCO1 32626005 RJDFQZKBIORDRI-CYBMUJFWSA-N 345.399 1.522 0 40 EDAB NC(=O)Cn1c(SCCOc2ccccc2F)nnc1C1CC1 46029128 BLPXLPPXJIOVJK-UHFFFAOYSA-N 336.392 1.951 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)NCCc2ccc3c(c2)OCO3)c1 21558088 VMOSQIQSUBLHEP-UHFFFAOYSA-N 347.392 1.791 0 40 EDAB C[C@H]1CN(C(=O)NCCNC(=O)CC2CCCCC2)C[C@H](C)O1 69655638 RNSNONVCLOBFJR-KBPBESRZSA-N 325.453 1.892 0 40 EDAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(O)nn1 32904685 KJRJQBYEHREJQM-UHFFFAOYSA-N 326.356 1.348 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)NCc1ccc(F)c(Cl)c1 60355629 FTJBNQKISAQCAW-NSHDSACASA-N 333.816 1.885 0 40 EDAB CC(C)C(=O)N1CCC(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 46359252 RKQNTTWDIXJZRK-UHFFFAOYSA-N 330.388 1.233 0 40 EDAB Cc1csc(N2CCN(C(=O)CCNc3ncccn3)CC2)n1 52641642 LGPPRHMYDRTTDV-UHFFFAOYSA-N 332.433 1.392 0 40 EDAB NC(=O)c1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 2649380 DWFSYDGPKCJJNR-UHFFFAOYSA-N 341.154 1.288 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2)cc1 581018 GXOUOOHVZCHJPV-UHFFFAOYSA-N 332.425 1.932 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)N3CCO[C@H](C)C3)ccc2c1=O 33229656 CJEITQWTSWHARY-LLVKDONJSA-N 331.372 1.132 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)NCc1cccnc1-n1ccnc1 29918522 FFJVMAHMUBRJGC-GFCCVEGCSA-N 339.355 1.295 0 40 EDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc(N(C)C)nc1 22420271 WSMREYVBMYNWEZ-UHFFFAOYSA-N 327.344 1.548 0 40 EDAB Cc1cccn2cc(CNC(=O)c3sccc3-n3cnnn3)nc12 75136691 YTYXAUBRYZKGNH-UHFFFAOYSA-N 339.384 1.610 0 40 EDAB Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1CN1CCOCC1 75179049 MEJZXBZVHVVSDK-MRXNPFEDSA-N 345.443 1.048 0 40 EDAB O=C(CN1CCCC1=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 118700421 RJFFHEMPLLACGJ-JKSUJKDBSA-N 332.400 1.930 0 40 EDAB O=C(O)CCNC(=O)c1ccc(NC(=O)CCc2cscn2)cc1 89781064 NQKPBJRYFCPZIT-UHFFFAOYSA-N 347.396 1.919 0 40 EDAB CC(C)(CNC(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1)NS(C)(=O)=O 89761758 GFMXGYYRSGWYEF-OLZOCXBDSA-N 343.424 1.309 0 40 EDAB O=C(CNc1nc2ccccc2s1)N[C@@H]1CCS(=O)(=O)C1 47304990 SFRVEQZWQDLNRY-SECBINFHSA-N 325.415 1.012 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)NCCN1CCc2ccccc2C1 55181364 OQKRPDSPZZCZCJ-GOSISDBHSA-N 343.471 1.952 0 40 EDAB C[C@H]1CO[C@H](C)CN1Cn1ncc2cn(-c3ccccc3)nc2c1=O 106138742 VJPHMBWLBQUSLR-UONOGXRCSA-N 339.399 1.649 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(C)o2)NC(=O)N[C@@]1(O)C(F)(F)F 1480292 UWOHORAGMGQHGO-SBMIAAHKSA-N 336.266 1.372 0 40 EDAB O=C1CN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CCN1 56114241 OEXDIJDVVKADRL-LBPRGKRZSA-N 342.182 1.445 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3cccnc3N(C)C)CC2)cs1 56591252 DQMIIQKAKANPNZ-UHFFFAOYSA-N 345.472 1.871 0 40 EDAB O=C(CSc1nnnn1-c1ccc(O)cc1)NCc1cccs1 8514681 AMKRLFMFQHGCEP-UHFFFAOYSA-N 347.425 1.838 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)c2ccc3c(c2)CCO3)C1=O 26280748 AVAPCMRNUIZVCL-GOSISDBHSA-N 340.335 1.864 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(F)c(F)c1 35306353 BZMFFPHGQKXUIT-MRXNPFEDSA-N 345.349 1.816 0 40 EDAB c1ccc(O[C@H]2CSC3(C2)CN(c2ccc4nncn4n2)C3)nc1 306142192 WSGRZADCZGMZGA-GFCCVEGCSA-N 340.412 1.663 0 40 EDAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)NC(=O)NC1CC1 12516044 BPURGPWKSMPLHX-IUCAKERBSA-N 332.360 1.195 0 40 EDAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccccc1 57828853 LVNXHVHMAOHYNA-MRXNPFEDSA-N 329.400 1.954 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2ccccn2)C1=O 12554707 JURSFFIFSUBDQZ-ZDUSSCGKSA-N 325.368 1.902 0 40 EDAB CC(=O)NCCNC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 47718250 PBJCYKGUXBIYRH-UHFFFAOYSA-N 339.701 1.542 0 40 EDAB C[C@H](CO)NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 44967878 PMSWJFUEGBNIAX-CQSZACIVSA-N 340.427 1.824 0 40 EDAB CCC[C@H](C)NC(=O)CS(=O)(=O)c1ccc2c(c1)OCCO2 44947924 QTLXYDBPKZLVEH-NSHDSACASA-N 327.402 1.536 0 40 EDAB CS(=O)(=O)c1ccc(N2CCCSCC2)c(S(C)(=O)=O)c1 58394107 SQPJSAGKKYMJMC-UHFFFAOYSA-N 349.499 1.437 0 40 EDAB O=C(CNC(=O)c1ccsc1)Nc1cnn(Cc2ccncc2)c1 58392464 FDTCPIABQMLQPM-UHFFFAOYSA-N 341.396 1.756 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)CNC(=O)c1cc(-c2ccccc2)on1 58345443 GQARWNZAQLOJHH-QWHCGFSZSA-N 343.383 1.707 0 40 EDAB CN(C)[C@@H](CNC(=O)CCS(=O)(=O)C1CCCC1)c1ccco1 48094726 KFJGBMQOBHNCIE-AWEZNQCLSA-N 342.461 1.746 0 40 EDAB CCN(C(=O)c1ccc(=O)n(CCOc2ccccc2)n1)C1CC1 58406353 OPOXHDDMJUXTOP-UHFFFAOYSA-N 327.384 1.947 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(OC(F)F)cc1 58403385 HKXDLJOVXMOGLE-OCCSQVGLSA-N 326.343 1.881 0 40 EDAB CCOc1ncccc1NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 48200529 FHXSMESPSOLCMR-NSHDSACASA-N 342.421 1.026 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)c1 48311229 PQPPDVNGQXAVHX-UHFFFAOYSA-N 327.358 1.451 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(F)cc2)o1 24746034 CDCRRVKLPAMCDG-UHFFFAOYSA-N 342.348 1.136 0 40 EDAB COC(=O)c1ccc(CNC(=O)c2ccc(-n3cncn3)cc2)cc1 12975626 KGDRRSDJXUYBBA-UHFFFAOYSA-N 336.351 1.984 0 40 EDAB CCn1cnnc1CNCc1c[nH]nc1-c1ccc2c(c1)OCO2 48713982 VVNRVIFGFXILSP-UHFFFAOYSA-N 326.360 1.707 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(-c2ccco2)[nH]c1=O 69489073 WVRAKWIEVIRUKE-HNNXBMFYSA-N 349.346 1.692 0 40 EDAB NC(=O)COc1ccc(C(=O)OCCOc2ccccc2F)cc1 7581059 PBVZQPQIMXCBML-UHFFFAOYSA-N 333.315 1.926 0 40 EDAB C[C@@H]1CN(C(=O)c2cn(Cc3cccc(Cl)c3)nn2)CCN1C 64045024 SWJJYAQSNJPHOF-GFCCVEGCSA-N 333.823 1.756 0 40 EDAB Cc1ccc(C)n1-c1nc(CC(=O)N[C@H]2CCCNC2=O)cs1 64099035 VGGYBSPJTDUEFQ-ZDUSSCGKSA-N 332.429 1.488 0 40 EDAB CCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860299 CWTXSHPAGHSHSR-UHFFFAOYSA-N 346.412 1.669 0 40 EDAB C[C@H]1C[C@H](C)CN(CCNC(=O)NCc2nnc3n2CCCCC3)C1 65435193 BSQMMQFAKOYRRN-GJZGRUSLSA-N 348.495 1.782 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H](OC[C@H]2CCCO2)C(C)C)c(=O)[nH]1 65494701 OJTZRTAFQYTHAH-ZBFHGGJFSA-N 336.432 1.828 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2cccc(C)n2)C(N)=O)cc1 65492970 NBDWALSAAMYXIL-HNNXBMFYSA-N 341.411 1.863 0 40 EDAB COC(=O)CNC(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1 14020884 JBMZHDCIQFKGNK-UHFFFAOYSA-N 342.351 1.850 0 40 EDAB CC(=O)N[C@H](C)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 65591601 MYSXRTZBULSNBD-LLVKDONJSA-N 337.807 1.149 0 40 EDAB CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1 65562973 DTELZHWSEINYDW-ZDUSSCGKSA-N 346.449 1.756 0 40 EDAB NC(=O)[C@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1 14301566 UENZSHRIOGSVNP-LLVKDONJSA-N 336.277 1.782 0 40 EDAB COc1ccc(C(C)=O)cc1CN1CCN(Cc2nc(C)no2)CC1 69150441 WCPMPSSUSCOGRQ-UHFFFAOYSA-N 344.415 1.907 0 40 EDAB O=C(OCc1cc(=O)n2ccccc2n1)[C@H]1COc2ccccc2O1 14760872 BWRZMSUMKDSRBU-OAHLLOKOSA-N 338.319 1.578 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCN(C)C3CC3)CC2=O)c(F)c1 63117251 ODZQUKMFFMMBHL-CYBMUJFWSA-N 333.407 1.697 0 40 EDAB COC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2F)CC1 69705547 QIKAIQZBZUHQJI-UHFFFAOYSA-N 330.381 1.597 0 40 EDAB CC[C@@]1(C(C)C)NC(=O)N(CC(=O)NCCOc2ccccc2)C1=O 69800569 KZPHYCNBVSVESS-SFHVURJKSA-N 347.415 1.538 0 40 EDAB Cc1ccc(CNC(=O)CN2CCC[C@H](Cn3cncn3)C2)s1 69819591 YHTUREYYZXIQNN-AWEZNQCLSA-N 333.461 1.676 0 40 EDAB O=C1COc2ccc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2N1 89800359 GVUIZKNILKKEED-XZJROXQQSA-N 328.368 1.705 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N1c3ccccc3C[C@@H]1C)CC2 69969327 TVBAITIMTUUXJU-WFASDCNBSA-N 325.416 1.469 0 40 EDAB CC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)C(N)=O 69900378 BYRDSULPPXSKDX-AAEUAGOBSA-N 337.445 1.226 0 40 EDAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCCC1 8735322 UZNMAQQNQAWATC-GFCCVEGCSA-N 325.434 1.360 0 40 EDAB C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCN(Cc2cccnc2)CC1 70883393 ZKQFZODCBMOHNX-WBVHZDCISA-N 333.432 1.310 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc3ccccc3cc2O)C1 92771973 MLRLIZJWCMRANZ-CQSZACIVSA-N 348.424 1.699 0 40 EDAB C[C@@H]1CN(C(=O)Cc2cn3ccsc3n2)C[C@@H]1N1CCOCC1 76054460 CMQCFTSAKKNXPB-OCCSQVGLSA-N 334.445 1.117 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@@H](N)C2)sc1Br 94541259 UUCOWOSXGBINNH-MRVPVSSYSA-N 339.280 1.931 0 40 EDAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)NC(=O)NC1CC1 9479309 BUDCBMNZKUDYNU-SECBINFHSA-N 331.401 1.941 0 40 EDAB C[C@@H](Cc1ccccc1F)C(=O)NC1CCN(S(C)(=O)=O)CC1 96414251 XSXNMPBQZRPPGI-LBPRGKRZSA-N 342.436 1.545 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(CCc3ccccc3)CC2)cn1 71841305 FAIHRHYGKXDOAB-RTBURBONSA-N 338.455 1.911 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCc1cnn(-c2ccccc2)c1 71829746 AKGJMEAJOVALGE-ZBFHGGJFSA-N 340.427 1.917 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCC2)c(F)c1 71882634 YBYXSZKJEWSYJT-LBPRGKRZSA-N 340.420 1.590 0 40 EDAB CN(C(=O)C1CCN(C[C@H](O)Cn2cccn2)CC1)c1ccccc1 71880213 UXDHFHKNNRFYCS-SFHVURJKSA-N 342.443 1.619 0 40 EDAB COc1ccnc(N2CCN(Cn3ccc(C(F)(F)F)n3)CC2)n1 71826802 ZJRYNKZYYHZHTD-UHFFFAOYSA-N 342.325 1.480 0 40 EDAB Cc1nc(CC(=O)N2CCC(c3nnc4n3CCC4)CC2)cs1 71818917 WHWTZXRXFNPMJO-UHFFFAOYSA-N 331.445 1.938 0 40 EDAB O=C1CCCN1CCNCC1CCN(C[C@@H](O)c2ccccc2)CC1 71871496 YUYMTJPQWJANFR-LJQANCHMSA-N 345.487 1.644 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCC[C@H](n2nc(C)nc2C)C1)C1CCCC1 72235319 DEWKDPGMKZOIOI-IRXDYDNUSA-N 347.463 1.753 0 40 EDAB Cn1cc(CNCc2ccc(S(=O)(=O)N3CCCC3)s2)cn1 97197982 YYXSXXVPGPPUKU-UHFFFAOYSA-N 340.474 1.556 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)COCCOc1ccccc1)CC2 97198680 GQMOKYRJCLYUJS-AWEZNQCLSA-N 344.415 1.367 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCO[C@H](c2nccs2)C1 97199708 UVJKDJNFYOUNQB-LBPRGKRZSA-N 335.433 1.505 0 40 EDAB C[C@@H](NC(=O)CN1CCn2c(nnc2C2CC2)C1)c1cccs1 78787932 JKAFVJAJDSCLKP-LLVKDONJSA-N 331.445 1.910 0 40 EDAB CCOc1ncnc2c1CN([C@@H](C)C(=O)Nc1cc(C)no1)CC2 97202214 QXUFRAWLRWLHFW-NSHDSACASA-N 331.376 1.557 0 40 EDAB CCO[C@H](CCN(C)C)CNS(=O)(=O)c1cc(C)ccc1C 79060480 VBVAWONKFPSBQS-OAHLLOKOSA-N 328.478 1.939 0 40 EDAB O=C(C1CC1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999172 CDRBJRMBMFXUPX-OAHLLOKOSA-N 334.441 1.780 0 40 EDAB Cc1c(CC(=O)N[C@H](C)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12 11865652 USHPDUYFIHIJJY-SSDOTTSWSA-N 339.731 1.592 0 40 EDAB biogenic CC[C@@H](C)[C@H](CO)NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O 503972284 WSIYPOIJJLVUDP-BMIGLBTASA-N 333.384 1.873 0 40 EDAB biogenic C[C@@H]1CN(CCSc2nnnn2Cc2cccs2)CCO1 188279730 CYMXXGFKTGDRGX-LLVKDONJSA-N 325.463 1.596 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(F)c1 218585121 MPSWWIWTYUUGEJ-YDHLFZDLSA-N 329.393 1.234 0 40 EDAB CCc1nc(N)nc(N)c1-c1ccc(Cl)c(S(=O)(=O)O)c1 31772137 UQQWZGLGDYDOBQ-UHFFFAOYSA-N 328.781 1.771 0 40 EDAB Cn1[nH]c([C@@H]2CCCN2C(=O)[C@H]2CCc3ccccc3C2)nc1=N 520416852 VYFVNLZXZPLJIW-GJZGRUSLSA-N 325.416 1.696 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N1CCCn2nccc21 36619551 GUEOWLMMSGOMDG-UHFFFAOYSA-N 327.387 1.330 0 40 EDAB COCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241371 JHDOVHXBDYEYJV-GJZGRUSLSA-N 340.807 1.391 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)CCN1 72203292 JQAUUIGXRVAGTO-SSDOTTSWSA-N 325.253 1.493 0 40 EDAB CCOc1ccccc1Cn1c(=O)c2sccc2n2c(=O)[nH]nc12 35462570 JJZOFCGYEGICFR-UHFFFAOYSA-N 342.380 1.846 0 40 EDAB CCN(CC(=O)NC1CC1)S(=O)(=O)c1cc(C)ccc1OC 39985627 FAQIZWAWEQDQDQ-UHFFFAOYSA-N 326.418 1.293 0 40 EDAB CO[C@@H]1CCC[C@@H](C(=O)NCCn2nc(-c3ccco3)ccc2=O)C1 72346815 SDQBUFYOYQQMJO-ZIAGYGMSSA-N 345.399 1.825 0 40 EDAB COc1ccccc1N1CCN(C(=O)c2[nH]nc3c2CCC3)CC1 49679099 XJOQLOMQFJQIBA-UHFFFAOYSA-N 326.400 1.869 0 40 EDAB NC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cc(F)ccc32)cc1 225751331 QUNQQEIAGJXITA-UHFFFAOYSA-N 339.326 1.878 0 40 EDAB COc1ccc(OCc2cn(CC(=O)N3CCCCC3)nn2)cc1 227162742 FOPBKJZDXDXKAR-UHFFFAOYSA-N 330.388 1.878 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(F)cc1F 84674130 GHJKUMHBHLERJO-VXGBXAGGSA-N 346.399 1.415 0 40 EDAB C[C@@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)[C@H]1C[C@H]2CC[C@H]1C2 225419363 FZCGYHZWIBRKHK-LMOYCYGVSA-N 341.411 1.631 0 40 EDAB CCOCn1cnc2ccc(I)cc2c1=O 195562341 TZSCQNKLGIOALA-UHFFFAOYSA-N 330.125 1.995 0 40 EDAB C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCc2c(nc(C3CC3)n2C)C1 83967354 ZAEJFPASIKXBPI-GXTWGEPZSA-N 332.448 1.339 0 40 EDAB Cc1oc(C(=O)N(CC(F)F)C2CC2)cc1S(=O)(=O)N(C)C 84760571 HUESVEAOCHLOET-UHFFFAOYSA-N 336.360 1.708 0 40 EDAB COc1ccc(C(=O)O)cc1NS(=O)(=O)c1cn(C(C)C)cn1 338222204 XSUKSBNDDOBAHX-UHFFFAOYSA-N 339.373 1.972 0 40 EDAB CN(CCO)C1(CNS(=O)(=O)Cc2ccccc2)CCCCC1 95399850 QQSRRHJVTCTRHC-UHFFFAOYSA-N 340.489 1.733 0 40 EDAB O=C(N[C@@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12)c1cccnc1 96185954 RICLZYROUICJLH-IIAWOOMASA-N 344.440 1.700 0 40 EDAB Cc1nc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)cs1 96041161 BAOJVHDDPMOYAC-HRCADAONSA-N 335.473 1.957 0 40 EDAB Cc1ccc(-c2noc(-c3cn(C[C@@H]4CCCNC4)nn3)n2)nn1 95512712 VCVKZFBUCZVUIS-LLVKDONJSA-N 326.364 1.093 0 40 EDAB C[C@@H](CCc1cccc(F)c1)NS(=O)(=O)N1CCOC[C@@H]1C 96428056 WCCKZSOJDLOHEX-STQMWFEESA-N 330.425 1.702 0 40 EDAB COc1ncccc1CN1C[C@H](c2nc(C)no2)C[C@H]2OCC[C@H]21 97953411 NGMPHWXYDSFVKO-RBSFLKMASA-N 330.388 1.929 0 40 EDAB CN(C)c1ncnc2c1CCN(C(=O)c1ccc3c(c1)OCO3)CC2 96255426 MCPASEIAYXSDBJ-UHFFFAOYSA-N 340.383 1.512 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(Cc2cn(C)nc2-c2ccccc2)C1 96492905 VWSBKCLAQBNBNX-OAHLLOKOSA-N 334.445 1.211 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCC2(CCN(CC3CCOCC3)CC2)O1 96061208 PXUNOADOIHCHNY-KRWDZBQOSA-N 336.476 1.953 0 40 EDAB Cn1cc(CN2CCC3(CC[C@@H](C(=O)NCC4CC4)O3)CC2)cn1 96061167 BIKRWWBTWYOLKN-INIZCTEOSA-N 332.448 1.460 0 40 EDAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 96181933 NVURPFUQLWDKNI-AEFFLSMTSA-N 347.434 1.899 0 40 EDAB O=C1OCc2cc(NC(=O)C3(n4cnnn4)CCCCC3)ccc21 95477922 FKIRBVAXHFZPAW-UHFFFAOYSA-N 327.344 1.642 0 40 EDAB CCn1cc(N2C[C@H](C(=O)NCCc3ccccc3)CC2=O)cn1 96101465 GSXWABQCOCIIRA-OAHLLOKOSA-N 326.400 1.615 0 40 EDAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)c1ccc(OC)c(F)c1)C2 96218447 VTOXFWGUCGFDHL-KBXCAEBGSA-N 336.407 1.875 0 40 EDAB O=C(NC[C@@H](O)c1ccco1)C1CCN(C(=O)c2ccccc2)CC1 96436089 NEPYDOXWBWVGAM-MRXNPFEDSA-N 342.395 1.982 0 40 EDAB Cc1nc(CCNC(=O)CN2CCN(c3ccccn3)CC2)cs1 96435973 ILYAEFSPWGZKIB-UHFFFAOYSA-N 345.472 1.327 0 40 EDAB Cc1cn2nc(N[C@H]3CCN(C(=O)C[C@H]4CCCCO4)C3)ccc2n1 578921326 BNDUPZKNNVNTHW-LSDHHAIUSA-N 343.431 2.010 0 40 EDAB CN(C)[C@H](C(=O)N1CCc2[nH]cnc2C1)c1ccc2c(c1)OCO2 96161801 CNCXOKXNQKMXMZ-INIZCTEOSA-N 328.372 1.326 0 40 EDAB C[C@@]1(C(=O)NCCN2CCOCC2)CC(c2ccccc2F)=NO1 96192668 AGQNELKMGLPHAW-KRWDZBQOSA-N 335.379 1.157 0 40 EDAB CCNC(=O)N1C[C@@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 96111646 XVUZCGKCHZZHPH-ZFWWWQNUSA-N 329.400 1.994 0 40 EDAB biogenic,in-vitro Cn1cccc1C(=O)N1CC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96072942 AIISEGZJWAYOAJ-GUYCJALGSA-N 327.388 1.301 0 40 EDAB C[C@]12CCCN(C(=O)Cn3ncc4ccccc4c3=O)[C@@H]1CCCN2 257263944 LSDSUZONGFLTID-APWZRJJASA-N 340.427 1.530 0 40 EDAB O[C@]1(c2cnn[nH]2)CCCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 583617906 IKYYUVNYNRNJPN-QGZVFWFLSA-N 342.378 1.613 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)C2CCN(C)CC2)CCN1C 257314920 UZDYGDWCOMAXME-KRWDZBQOSA-N 331.460 1.852 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ocnc3C)C2)ncn1 257298298 RLCHZZPFUVWNMJ-QGZVFWFLSA-N 345.403 1.185 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H](Cc3ccncn3)C2)cc1 257238120 HJRJHPHHZKYCJJ-HNNXBMFYSA-N 347.440 1.665 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)cn1 257244064 IJRXOXCUKJQFCG-MRXNPFEDSA-N 326.400 1.841 0 40 EDAB CCOCCN1CCN(C(C)=O)[C@H](c2cccc(C(=O)NC)c2)C1 257317911 VLRISICPYNUWMY-KRWDZBQOSA-N 333.432 1.288 0 40 EDAB CCOc1cc(C(=O)N(CC(=O)O)C2CCOCC2)ccc1OC 584908015 JUCFLGGMZNPNRU-UHFFFAOYSA-N 337.372 1.800 0 40 EDAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)CC1 257286874 PNKPTMSJBUMVDP-QRTARXTBSA-N 344.459 1.991 0 40 EDAB Cn1ccc(C(=O)NCc2nnc3n2CCC[C@H]3C(F)(F)F)n1 585139653 IVNAVTXIYZBNAE-MRVPVSSYSA-N 328.298 1.381 0 40 EDAB CNC(=O)[C@@H]1CN(C[C@@H](C(=O)OC(C)(C)C)c2ccccc2)CCO1 585133393 GYBYBEBHAHFDIF-CVEARBPZSA-N 348.443 1.559 0 40 EDAB O=C(NC1(CO)CCSCC1)c1cc(N2CCCCC2)ncn1 585120850 PSJUJILQJSKIKW-UHFFFAOYSA-N 336.461 1.455 0 40 EDAB O=C(O)c1cc(S(=O)(=O)N2CC[C@H]2C(=O)O)cc(Cl)c1F 585122168 PBPLQSUPOPIAHZ-QMMMGPOBSA-N 337.712 1.025 0 40 EDAB C[C@@H](CN1CCOCC1)N(C)S(=O)(=O)c1ccc(Cl)cc1 278814743 SPHIBMWDSCEDHX-LBPRGKRZSA-N 332.853 1.681 0 40 EDAB CN1C(=O)CN(C(=O)N[C@H]2CCNC23CCC3)Cc2ccccc21 623180437 FNWAALZEWZRYBL-HNNXBMFYSA-N 328.416 1.459 0 40 EDAB CN(C[C@@H]1CCOC1)c1ncccc1S(=O)(=O)NCC1CC1 1615046030 RYHBBBWFVNBMDF-ZDUSSCGKSA-N 325.434 1.243 0 40 EDAB O=C(CNC(=O)C(F)(F)[C@H](O)c1ccccc1)NC1CCCC1 1615587447 ZPNROFICVDOMQX-CQSZACIVSA-N 326.343 1.530 0 40 EDAB COC(=O)c1cccc(O)c1NS(=O)(=O)c1cnn(C(C)C)c1 1615587895 VAYINBSDPOPAQE-UHFFFAOYSA-N 339.373 1.757 0 40 EDAB CNC(=O)[C@H]1CN(C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CCO1 1615605381 LCIGTHMKDBNELG-UONOGXRCSA-N 341.452 1.223 0 40 EDAB Cc1cc(NC(=O)c2ccc(-n3cncn3)nn2)n(-c2ccccc2)n1 96097886 ZEFLWLDAIFSURA-UHFFFAOYSA-N 346.354 1.804 0 40 EDAB C[C@@]12CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@@H]1C2(F)F 292927726 SULHDPUVIZLJCD-WCQYABFASA-N 330.356 1.451 0 40 EDAB O=C(Nc1nc2c(s1)C(=O)NCCC2)c1ccc2[nH]cnc2c1 96124380 ISIFTSQXTQLNOZ-UHFFFAOYSA-N 327.369 1.948 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCn2cc(CC(=O)N3CC=CC3)nc2[C@H]1C 585097104 FTERPQORKMKVTQ-NFAWXSAZSA-N 328.416 1.383 0 40 EDAB Cc1ccc(C[C@]2(CO)CN(C(=O)Cn3cccn3)CCO2)cc1 585275790 JQBMJSWUNMCUPX-GOSISDBHSA-N 329.400 1.024 0 40 EDAB CN1CCC[C@@]1(C)C(=O)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 585286189 VEDCUNBLKGJDRA-MYZZLAAOSA-N 332.444 1.805 0 40 EDAB Cc1ccc(OC[C@@]2(O)COCCN(C(=O)c3ccon3)C2)cc1 585269303 ONSODBNGYNJTIM-KRWDZBQOSA-N 332.356 1.266 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)CCC(=O)O)[C@H]1Cc1ccccc1 585268928 DSQMPFKLZPAWMQ-HOTGVXAUSA-N 332.400 1.590 0 40 EDAB CCOc1ccc(S(=O)(=O)Nc2n[nH]cc2C(=O)N(C)C)cc1 585141175 QSOZAHFOFKHZQL-UHFFFAOYSA-N 338.389 1.311 0 40 EDAB Cn1cnc2c1[C@H](C(=O)N1CC(F)(F)C1)CN(Cc1ccco1)C2 585110884 UCVWLFWECOEKCB-GFCCVEGCSA-N 336.342 1.590 0 40 EDAB C[C@@H](OCCCNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 44946003 AYDODJSVURWZOS-UKRRQHHQSA-N 340.445 1.641 0 40 EDAB CC(C)Oc1ccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)cc1Cl 51612365 DZNJSBCYOVFJAS-CYBMUJFWSA-N 341.795 1.845 0 40 EDAB O=C1NCCN1C1CCN(Cc2csc(-c3ncccn3)n2)CC1 52217737 UDXQSIZAMGVNCB-UHFFFAOYSA-N 344.444 1.590 0 40 EDAB C[C@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)C(=O)N1CCCCC1 57226532 FOXBUPSSMCEMNF-ZDUSSCGKSA-N 341.411 1.588 0 40 EDAB COc1cccc([C@@H](CNC(=O)[C@H](NC(C)=O)C(C)C)N(C)C)c1 57288648 GNSVMNBGCNJUBV-IAGOWNOFSA-N 335.448 1.575 0 40 EDAB C[C@@H]1COCCN1C(=O)c1sccc1S(=O)(=O)N1CCCC1 76146028 BERZYHXBNJDJAR-LLVKDONJSA-N 344.458 1.394 0 40 EDAB CCc1nc([C@@H]2CN(Cc3cn4c(C)cccc4n3)CCO2)n[nH]1 89289846 DWNLFHUSUVMFGT-AWEZNQCLSA-N 326.404 1.897 0 40 EDAB COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 96000019 MZBYSAVVYLSDNK-HNNXBMFYSA-N 340.445 1.199 0 40 EDAB CCn1cc(C(=O)N2CC(n3cc(CO)nn3)C2)c2ccccc21 1615615933 ZSVOOEAJBUNFLQ-UHFFFAOYSA-N 325.372 1.442 0 40 EDAB COCCNc1nc(CC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cs1 1616040325 GKXXCEYLJQATMW-RISCZKNCSA-N 338.477 1.343 0 40 EDAB O=C1N[C@@H](CN2CCOc3cc(Br)ccc3C2)CO1 1616044101 AGPLZNFEQLKOCM-NSHDSACASA-N 327.178 1.752 0 40 EDAB O=C1NCC2(CCN(C(=O)c3cscn3)CC2)Oc2ccccc21 12225280 FKFMPOUUPBBWSB-UHFFFAOYSA-N 343.408 1.940 0 40 EDAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)on1 13226066 OZKFGYROBJKVOG-VIFPVBQESA-N 345.388 1.639 0 40 EDAB CC(C)CNS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585643 WILAZACGJFPBAS-UHFFFAOYSA-N 342.442 1.659 0 40 EDAB O=C(CC1CCCC1)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19404463 QZQNEFZGXXQNGP-CQSZACIVSA-N 342.447 1.600 0 40 EDAB O=C(O)[C@H]1COCCN1C(=O)c1csc(-c2ccc(F)cc2)n1 521363663 NANMQJUWNKJUMF-GFCCVEGCSA-N 336.344 1.875 0 40 EDAB CC[C@H](C)NC(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O 4513976 MQNCJXDKMNXNKV-APPDUMDISA-N 335.379 1.898 0 40 EDAB C[C@@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)NC(C)(C)C 17056170 MVVQMWBMBUJTHI-SNVBAGLBSA-N 327.402 1.550 0 40 EDAB O=C(c1cnc2ccccc2n1)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1888890984 KBSPKDZVIUJWGQ-ZIAGYGMSSA-N 346.394 1.628 0 40 EDAB Cc1cc(C)nc(N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)n1 1888897226 VDPIHHSYMJUJCM-OKILXGFUSA-N 336.403 1.104 0 40 EDAB COC1(CC(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)CCC1 1565542866 YXGWRQCSDJPHOQ-AWEZNQCLSA-N 344.419 1.092 0 40 EDAB CC(=O)NCC1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 4753450 OKOUCIRIMOOQGJ-INIZCTEOSA-N 347.390 1.306 0 40 EDAB O=C1C[C@H](c2ccc(S(=O)(=O)NCCc3ccco3)cc2)CN1 4751716 YWYZRMVSJILJSC-ZDUSSCGKSA-N 334.397 1.404 0 40 EDAB O[C@@H]1CCN(Cc2noc3c2C[C@H](NCc2ccccn2)CC3)C1 2055734495 BQHKDUANJYKEMC-UKRRQHHQSA-N 328.416 1.283 0 40 EDAB COc1cccc(CN2C[C@@H](C(=O)NC3CC3)C[C@H]3OCC[C@H]32)c1 2055746510 QJNCDXXILOHHFC-BMGDILEWSA-N 330.428 1.953 0 40 EDAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)s1 35597508 YKXUBVQOQBOXSH-UHFFFAOYSA-N 342.402 1.476 0 40 EDAB COc1cccc(CC(=O)N[C@H]2CCc3nc(N(C)C)ncc3C2)c1 618257437 WGPROODXOWFEOW-HNNXBMFYSA-N 340.427 1.767 0 40 EDAB CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC1CCCC1 35360173 NLYCQVMJHVNSDE-ZWKOTPCHSA-N 343.471 1.901 0 40 EDAB CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 42827 LVYOIUVJBQRHKW-UHFFFAOYSA-N 330.413 1.892 0 40 EDAB O=C(c1ccccc1CN1C(=O)CNC1=O)N1CCc2ccccc2C1 10962893 IBGNCYMICXLCEL-UHFFFAOYSA-N 349.390 1.937 0 40 EDAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OC 40498894 SUHRUBWOTGHOMS-ZYHUDNBSSA-N 327.402 1.316 0 40 EDAB Cc1nc(S(=O)(=O)Cc2nnc(C)n2C)[nH]c1Cc1ccccc1 90989357 ILVGKPNFKCVVCG-UHFFFAOYSA-N 345.428 1.720 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccccc1F 886700 IQCBBJDEYJRDSU-UHFFFAOYSA-N 326.349 1.501 0 40 EDAB Cc1noc([C@@H](C)N2CCN(Cc3nnc4n3CCCCC4)CC2)n1 40528229 IUVOWODFDAXMBW-CYBMUJFWSA-N 345.451 1.575 0 40 EDAB O=C(NCCc1ccsc1)C1=NN(c2ccccc2)C(=O)CN1 40516639 VBLCOAZHMJBSCC-UHFFFAOYSA-N 328.397 1.357 0 40 EDAB CCc1nnsc1C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 29092537 KUSWZXAYGBOICX-HNNXBMFYSA-N 346.456 1.904 0 40 EDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1cccc(F)c1 3903512 VWSSGGXGLTVPHH-ZOMKSWQUSA-N 338.331 1.212 0 40 EDAB COc1ccc(N2C(=O)[C@H]3ON=C(c4cn(C)nc4C)[C@H]3C2=O)cc1 101343928 SGWQMTLXQBWAIF-HIFRSBDPSA-N 340.339 1.030 0 40 EDAB COc1ccccc1CNC(=O)CN1c2ccccc2C[C@H]1C(N)=O 101548047 RYJFOSUTXFITNU-INIZCTEOSA-N 339.395 1.228 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 59743739 OAIREQYOGZXOMJ-AWEZNQCLSA-N 342.403 1.607 0 40 EDAB O=C(O)c1cc(S(=O)(=O)N2CCCC2)c(Br)s1 36969060 URHKQIYEEPOBGA-UHFFFAOYSA-N 340.220 1.993 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)N3CCNCC3)CC2=O)cc1Cl 11866633 HLBMYYVPIBDDGY-NSHDSACASA-N 337.807 1.133 0 40 EDAB CN(C)c1ccc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)cn1 29782060 BSDSLNXJTJXLSF-CYBMUJFWSA-N 326.404 1.793 0 40 EDAB O=c1cc(CCCn2cncn2)[nH]c2nc(-c3ccc(F)cc3)nn12 102397827 GFGVYFPYQIABJK-UHFFFAOYSA-N 339.334 1.448 0 40 EDAB CN1CCN(C(=O)c2nnc3sc(-c4ccccc4F)nn23)CC1 57354682 QVVPRHADBGXSHQ-UHFFFAOYSA-N 346.391 1.380 0 40 EDAB CN1N=C(C(=O)NCc2ccc(CN3CCCC3)cc2)CCC1=O 21939670 NRDSPONATGAUKJ-UHFFFAOYSA-N 328.416 1.507 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 33209547 WZJGDJUBQSKDEB-LLVKDONJSA-N 348.380 1.172 0 40 EDAB CCN1C(=O)C[C@@H](Nc2ccc(N3CCCC3=O)c(OC)c2)C1=O 103022490 YJYRMBRDHNTOBK-GFCCVEGCSA-N 331.372 1.381 0 40 EDAB COCCN(C)CCCNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 41967312 MUXIRDWWNQMDQA-OAHLLOKOSA-N 326.824 1.728 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)n(C)c1 102445315 SDRVOYYMEBWSKP-HKUMRIAESA-N 339.461 1.488 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@H]1C(=O)N1CCN(c2ccccc2)CC1 101952670 VQJTVMMIYKOCSX-JONQDZQNSA-N 330.384 1.213 0 40 EDAB COCCOc1cccc(CNC(=O)c2cccc(C(N)=O)c2)c1 53997729 BMXFSYVRCLGTSR-UHFFFAOYSA-N 328.368 1.741 0 40 EDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NC(C1CC1)C1CC1 22990029 STKMTXBZKKVAMM-UHFFFAOYSA-N 333.432 1.936 0 40 EDAB CN(C)C(=O)CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 23251400 KHNSSILZIYTBSH-UHFFFAOYSA-N 335.839 1.194 0 40 EDAB Cc1nc(CN2C(=O)N[C@@](C)(c3cccc(C(N)=O)c3)C2=O)cs1 68921858 WRBGKSZTHMOOKG-INIZCTEOSA-N 344.396 1.518 0 40 EDAB C[C@@H]1NC(=S)N(Cc2cccc(C(=O)NCc3ccco3)c2)C1=O 55179775 VQSYNOGJHHTUCF-NSHDSACASA-N 343.408 1.815 0 40 EDAB Cc1cc2nc([C@@H](C)NC(=O)[C@@H](C)n3nccc3C)cc(O)n2n1 100217871 VIWUQFVDEBQHCG-VXGBXAGGSA-N 328.376 1.687 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)N2CCc3ccccc32)cc1 43229008 LAKKJJYJOYOVQO-UHFFFAOYSA-N 345.424 1.867 0 40 EDAB C[C@@H]1CN(C(=O)COc2ccc(=O)n(-c3ccccc3)n2)C[C@@H](C)O1 1399155 MJPUSCHKOHYBRM-ZIAGYGMSSA-N 343.383 1.247 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cn1 55366431 UXKIAPZIHGOHTF-UHFFFAOYSA-N 344.348 1.844 0 40 EDAB CCCc1cc(C(=O)NC2CCN(CC(=O)NC)CC2)sc1C 25231556 IIUFQHYOROJKEU-UHFFFAOYSA-N 337.489 1.949 0 40 EDAB O=C1CNC(=O)N1Cc1ccc(C(=O)N2CCc3ccccc32)cc1 25378657 QMPRXJCIFBPIFE-UHFFFAOYSA-N 335.363 1.941 0 40 EDAB Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3c2ncc(F)cn2)cs1 107800161 HWSVGZTVHYNJCW-OLZOCXBDSA-N 333.392 1.760 0 40 EDAB Cn1cc(/C=C/C(=O)NC[C@H](c2cccs2)N2CCOCC2)cn1 25458177 KBQLCBYRGPVYEC-MBVDDHJVSA-N 346.456 1.685 0 40 EDAB CC(C)[C@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)N(C)C 25451374 HOXKBVGGQDJEQU-HNNXBMFYSA-N 330.432 1.558 0 40 EDAB CC(C)OC[C@H](O)CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 107156766 DYTGVPSWDBVCCW-TZMCWYRMSA-N 330.450 1.113 0 40 EDAB C[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)N1CCNC1=O 56186183 FIBYIDZTFLPJEM-DOMZBBRYSA-N 333.388 1.597 0 40 EDAB CO[C@H](CNC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 56471674 BDHFKRQIXAPSFY-QGZVFWFLSA-N 326.396 1.849 0 40 EDAB COc1cccc(N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)c1 57290244 QMQKRSSQCBWBQD-KRWDZBQOSA-N 331.416 1.355 0 40 EDAB C[C@@H]1CN(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)CCO1 44271894 ALMIFSDKCXPZSP-MRVPVSSYSA-N 325.752 1.924 0 40 EDAB O=C1CN(CC(=O)N(Cc2ccccc2)Cc2ccccc2)CCN1 57450384 TWROMWRBSGBLJF-UHFFFAOYSA-N 337.423 1.647 0 40 EDAB CCN1C[C@H](CN(C)c2ccc3nnnn3n2)Oc2ccccc21 12641817 FGEJDBYHEKEIEF-LBPRGKRZSA-N 325.376 1.243 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccnc1 12675436 NARGUFXUFAFQOW-UHFFFAOYSA-N 347.396 1.355 0 40 EDAB Cc1cc(CNC(=O)N2CCC(OCCN3CCCC3)CC2)on1 174451116 JZDDBUPYBNJGEG-UHFFFAOYSA-N 336.436 1.769 0 40 EDAB O=C(CN1CCC(NC(=O)c2ccoc2)CC1)NCc1ccccc1 58225019 PRMADFKRTJACPD-UHFFFAOYSA-N 341.411 1.790 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 58283059 WYLKIYOLUSALHU-QWHCGFSZSA-N 340.468 1.093 0 40 EDAB C[C@H](C(=O)N1CCCN(Cc2ccc(F)cc2)CC1)n1cncn1 44910969 UNISIESCHUOCGM-CQSZACIVSA-N 331.395 1.713 0 40 EDAB COCCn1nc(C(=O)N[C@@H](C)Cc2cccc(Cl)c2)ccc1=O 44942143 WJSLUBQCXRZDSN-LBPRGKRZSA-N 349.818 1.904 0 40 EDAB Cc1ccccc1[C@H](C)NC(=O)CCc1nc(-c2nc[nH]n2)no1 58330497 RBHJGMPLJLWEFF-NSHDSACASA-N 326.360 1.973 0 40 EDAB CC(C)C[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 58393739 IWXYCBJEKSFNBV-LBPRGKRZSA-N 344.433 1.627 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)N1 45037618 COKNZENSHCWOPA-VHSXEESVSA-N 347.337 1.556 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ncn(C)c1Cl 27957790 JBKIQLHCPANMJF-UHFFFAOYSA-N 343.792 1.623 0 40 EDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC[C@H]2CCCO2)c1 27970072 SBTLSFRHYUETSR-LLVKDONJSA-N 347.820 1.974 0 40 EDAB Cc1ccc(C(N)=O)cc1NCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C 69148451 AJHHPIVFVLTUFO-RISCZKNCSA-N 346.431 1.910 0 40 EDAB Cc1cc(NC(=O)CN2CCNC(=O)C2)ccc1Br 3354692 IBJDOSUYCSTYKV-UHFFFAOYSA-N 326.194 1.128 0 40 EDAB CCOC(=O)c1cnc(SCc2ncc(Cl)n2C)nc1N 12734291 IULPQDVNSMHQAG-UHFFFAOYSA-N 327.797 1.915 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)[C@@H](C)n2cncn2)Oc2ccccc21 48273250 RLIUPTCEGBNXKO-ZIAGYGMSSA-N 329.404 1.585 0 40 EDAB O=C(/C=C/c1ccco1)Nc1ccc(CN2C(=O)CNC2=O)cc1 12890489 OFMGJKGMINIROK-BQYQJAHWSA-N 325.324 1.983 0 40 EDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2cc(C)on2)c1C 3483678 CFBJICVJSAPXMB-UHFFFAOYSA-N 349.343 1.900 0 40 EDAB CN(Cc1nc2ccsc2c(=O)[nH]1)S(=O)(=O)Cc1ccccc1 12917505 NRTWRHXJPAXXGL-UHFFFAOYSA-N 349.437 1.946 0 40 EDAB COc1cc(Br)c(/C=C2\NC(=S)NC2=O)cc1OC 3570787 XDCQJLNLESTTJJ-BAQGIRSFSA-N 343.202 1.812 0 40 EDAB C[C@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccccc1 69342983 XBSISYFNGMQLDL-QWHCGFSZSA-N 327.402 1.466 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2CCN(Cc3nccn3C)CC2)cc1 69350101 OCDIYMUCIJJHHX-KRWDZBQOSA-N 344.459 1.286 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCN(CCCN3CCCC3=O)CC2)n1 69385237 AUTSRJWXYFXQEI-OAHLLOKOSA-N 349.479 1.884 0 40 EDAB COCCCNC(=O)CN(C)C(=O)/C=C/c1c(F)cccc1F 69370163 VKUZRPLGUBWIEX-BQYQJAHWSA-N 326.343 1.589 0 40 EDAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1 22229591 OQKOTBHAOZSNAK-CQSZACIVSA-N 338.429 1.435 0 40 EDAB COC(=O)C(C)(C)NC(=O)c1nc(C)n(-c2ccccc2Cl)n1 63928640 SLNOOXBHTFQLGJ-UHFFFAOYSA-N 336.779 1.911 0 40 EDAB CN1CCN(C(=O)C2(NC(=O)Cc3cccc(F)c3)CCCC2)CC1 69442810 VRZBQUDBKRAJSZ-UHFFFAOYSA-N 347.434 1.571 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)cc1 69441558 TWVGTIOBNMQYET-ZDUSSCGKSA-N 329.356 1.979 0 40 EDAB Cc1nc(C(=O)N2CCOC[C@]3(CC[C@@H](CN(C)C)O3)C2)cs1 306136665 PZMHSZPHHXRCSC-BBRMVZONSA-N 339.461 1.403 0 40 EDAB COc1cccc(-c2nc(C)c(C(=O)N3CCNC(=O)C3)s2)c1 13725888 LCNDFBRYAUHGIV-UHFFFAOYSA-N 331.397 1.699 0 40 EDAB CN1CCN(CC(=O)NC(=O)NCC(F)(F)F)c2ccccc21 69595705 FYBYCYUCIKEPHT-UHFFFAOYSA-N 330.310 1.331 0 40 EDAB CC(=O)N1CCC(NC(=O)c2ccc(N3CCOCC3)c(F)c2)CC1 69536744 VPNRPJRNCOQJRU-UHFFFAOYSA-N 349.406 1.403 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)c2cccnc2N(C)C)c1 69538195 OGCAOCPGNNBCQZ-HNNXBMFYSA-N 345.399 1.628 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc4c[nH]nc4c3)cc12 69533707 AUWDDCCXFJQAAR-UHFFFAOYSA-N 342.384 1.954 0 40 EDAB CN1CCc2ncnc(N3CCC(NC(=O)c4ccoc4)CC3)c2C1 65466004 XVCDGLSRKBTCHZ-UHFFFAOYSA-N 341.415 1.456 0 40 EDAB O=C1CN(C(=O)Cn2cnc3ccccc3c2=O)c2ccccc2N1 5316166 XOKDUUFZTDFYCF-UHFFFAOYSA-N 334.335 1.382 0 40 EDAB C[C@@H]1CCc2c(C(=O)N3CCC(S(N)(=O)=O)CC3)csc2C1 65539258 JYPNCCNXJVWMJI-SNVBAGLBSA-N 342.486 1.766 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(C[C@H](O)CN3CCC(C)CC3)C2)n1 69697905 CWVSQYGHMQMEHV-RBUKOAKNSA-N 349.523 1.700 0 40 EDAB O=C(CCN1CCN(C[C@H](O)c2ccccc2)CC1)N1CCCCC1 69667424 MHGFBXMSTIGGBX-IBGZPJMESA-N 345.487 1.740 0 40 EDAB COc1cccc(CNC(=O)COC(=O)COc2ccccc2)c1 6459813 IAIXLHKFVCAYBN-UHFFFAOYSA-N 329.352 1.934 0 40 EDAB Cc1ccc(CNC(=O)CN2CCc3ccccc3[C@H]2C(N)=O)cc1 69623588 KCXXCQXGZRISTM-IBGZPJMESA-N 337.423 1.696 0 40 EDAB Brc1ccc(CCNc2ccc3nnnn3n2)s1 14142068 KXUZDZZFHYFGJN-UHFFFAOYSA-N 325.195 1.998 0 40 EDAB O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc[nH]c1=O 17531227 DKCYPNDIMNKSIZ-OAHLLOKOSA-N 326.352 1.895 0 40 EDAB Cc1csc(N2CCN(CC(=O)NCc3cccs3)CC2)n1 65609632 UHENRWIEPDIPFG-UHFFFAOYSA-N 336.486 1.951 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCC(C)(C)c1ccc2c(c1)OCO2 65607337 INFCUWHDVDAKRW-JSGCOSHPSA-N 346.427 1.971 0 40 EDAB CC[C@H](C)[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC 5495280 RYNPCOXZUWQLOY-CABZTGNLSA-N 343.405 1.043 0 40 EDAB Nn1c(SCC(=O)NCCc2ccccc2)nnc1C(F)(F)F 6586581 UFXKGMGKEWXCEL-UHFFFAOYSA-N 345.350 1.462 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)Nc3nnc(C)s3)C2)n1 69701727 ILEJOIBCISBKHL-ZDUSSCGKSA-N 349.464 1.406 0 40 EDAB Cc1cc(C)n(CCC(=O)N2CCCN(c3cccnn3)CC2)n1 69814837 GNEBTQKHIWWPKD-UHFFFAOYSA-N 328.420 1.419 0 40 EDAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccccc1F 8914886 YAVSFJGOYIRIGG-UHFFFAOYSA-N 342.330 1.933 0 40 EDAB COc1ccc(CNCCNC(=O)Cc2cccc(F)c2)cc1O 69950422 XYTMFIOBVSEMMK-UHFFFAOYSA-N 332.375 1.988 0 40 EDAB CN(CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 6996026 NXVWKBJMEKCENZ-QGZVFWFLSA-N 346.452 1.922 0 40 EDAB Cc1c(C(=O)Nc2ccccn2)nnn1-c1ccc2c(c1)OCCO2 67133724 WCAIGIKFCHHUCJ-UHFFFAOYSA-N 337.339 1.994 0 40 EDAB Cc1cnn(CCC(=O)N2CCC(Nc3ccc(C)nn3)CC2)c1 69901608 YBWYSVDSBOGHIT-UHFFFAOYSA-N 328.420 1.783 0 40 EDAB CC(=O)N(CCc1ccccc1)CC(=O)N1CC[C@@]2(CCOC2)C1 90439892 FWTIHQRRDZDXFD-LJQANCHMSA-N 330.428 1.717 0 40 EDAB CCc1nc([C@H]2CN(C(=O)CN(C)Cc3ccccc3)CCO2)n[nH]1 83829892 KKUXHFORTXEXHH-OAHLLOKOSA-N 343.431 1.399 0 40 EDAB C[C@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 71185259 HPZYGRQUAFAGBV-WCBMZHEXSA-N 326.194 1.897 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)Oc1cccc(C(C)=O)c1 83888815 JQPVDRHFIOBBOH-BBRMVZONSA-N 332.400 1.784 0 40 EDAB Cc1cnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nc1C 96013756 QMYQMDSXOUQEAI-OAHLLOKOSA-N 338.477 1.924 0 40 EDAB O=C1[C@H](N2CCC(c3nc[nH]n3)CC2)CCN1c1ccccc1F 83444521 FQOYKUPROKGRNL-OAHLLOKOSA-N 329.379 1.929 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 71902961 GXNGEGXJZDUXKF-GXSJLCMTSA-N 342.383 1.457 0 40 EDAB CCc1cnc(N2CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)s1 96444823 YLFCIGMAJFKRHH-UHFFFAOYSA-N 346.456 1.973 0 40 EDAB CCc1ccc([C@H](COC)NC(=O)Cn2c(=O)[nH]c3ccccc32)o1 96423853 KEQSSZBYVVZQFV-AWEZNQCLSA-N 343.383 1.989 0 40 EDAB C[C@H](O)CN1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 71871252 GVAJGDAHIVODMH-ZDUSSCGKSA-N 326.824 1.634 0 40 EDAB Cc1c(C(=O)N2CCN3CCCC[C@@H]3C2)cnn1-c1ccccn1 71839814 VNBWVRZWZHMEEZ-OAHLLOKOSA-N 325.416 1.886 0 40 EDAB CCCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCOC)c1 408606248 OJAWALXEQQLHSK-UHFFFAOYSA-N 328.434 1.450 0 40 EDAB NC(=O)c1csc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 71841502 IXKCEBSTCPGONG-JTQLQIEISA-N 349.387 1.060 0 40 EDAB CC(C)CN(CCN(C)C)C(=O)[C@H]1CCCN(c2ncccn2)C1 71853861 FHXHJHSDIRWVNC-INIZCTEOSA-N 333.480 1.739 0 40 EDAB CCNC(=O)CN(CC)CC(=O)NCCc1nc2ccccc2s1 96955317 LZAJSZUFXOTIGZ-UHFFFAOYSA-N 348.472 1.413 0 40 EDAB COc1ccccc1CCNC(=O)CN1CCC[C@H](c2ccn[nH]2)C1 72270632 XTGMISLGMITODQ-INIZCTEOSA-N 342.443 1.957 0 40 EDAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1nc(CCOC)no1 72268677 MNYFYUYQSZBFPS-KGLIPLIRSA-N 336.436 1.624 0 40 EDAB COc1nc(C)ccc1CNc1cc(N2CCC[C@H]2CO)ncn1 72276264 MXOWNSIYZHWUGS-AWEZNQCLSA-N 329.404 1.762 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)no1 72232013 AVJHRFFPYSVHIS-WFASDCNBSA-N 329.356 1.924 0 40 EDAB O=C(Cn1ccc2ccccc21)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269416 IOGNDGYVBZZZMY-QZTJIDSGSA-N 327.428 1.699 0 40 EDAB CCc1nn(C)cc1CN1CCC(C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 97033856 MOLMAUOHYDBXAY-GASCZTMLSA-N 348.491 1.830 0 40 EDAB CN(CCn1c(-c2cnccn2)noc1=O)Cc1ccc(F)cc1 97139651 WAGOATBQEYDXGU-UHFFFAOYSA-N 329.335 1.564 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)CC2)nc(C)n1 97135172 SQSTWTRDBOWYSQ-GOSISDBHSA-N 343.475 1.616 0 40 EDAB Cc1ccccc1[C@H]1C(=O)NCCN1Cc1ncnn1CC(C)C 97135346 RJKMIVLBXCJVBZ-KRWDZBQOSA-N 327.432 1.916 0 40 EDAB COCc1nnc(NC(=O)CCCc2nnc3ccccn23)s1 72402551 IANWZNAEMVJBCM-UHFFFAOYSA-N 332.389 1.689 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3nc4ccccc4o3)CCO2)n1 75604940 KKVLKFGEWOZQBP-CQSZACIVSA-N 327.388 1.937 0 40 EDAB CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H]2CCC[C@@H]2C(N)=O)CC1 76042426 LRMKUBSSGGZDBA-QWHCGFSZSA-N 339.436 1.404 0 40 EDAB Cn1nccc1NC(=O)C(=O)NCC1(c2ccccc2Cl)CC1 95449073 ZUGFSGSTALFLIQ-UHFFFAOYSA-N 332.791 1.860 0 40 EDAB Cc1cc(NC(=O)Cc2ccon2)ccc1NC(=O)Cn1cccn1 95405540 RQXJSKPDIDUEDD-UHFFFAOYSA-N 339.355 1.999 0 40 EDAB O=C(NCCc1ccccn1)N1CCC([C@@H](O)C(F)(F)F)CC1 95419115 YCBSSHJHXTULTF-CYBMUJFWSA-N 331.338 1.969 0 40 EDAB CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2nc(C(C)(C)C)no2)C1=O 95439419 WZRUOXNGOKOZMM-MRXNPFEDSA-N 346.391 1.458 0 40 EDAB COC(=O)c1[nH]c(C)cc1NC(=O)c1[nH]ncc1Br 76019512 AIZMUWOGOMYPEQ-UHFFFAOYSA-N 327.138 1.848 0 40 EDAB CO[C@@]1(C)C[C@H](NC(=O)CCn2nc3ccccn3c2=O)C1(C)C 73263829 JOYGUDXJQCGTLK-SJCJKPOMSA-N 332.404 1.206 0 40 EDAB CCn1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C(C)C)n1 78895929 HHTGQOBTENVJLC-ZBFHGGJFSA-N 334.464 1.819 0 40 EDAB O=C(NCc1ccc[nH]1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 74127785 YRAOWLDVOMGUNY-AWEZNQCLSA-N 341.367 1.664 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1c2ccccc2C[C@H]1O 88756080 YNXPSPZDRCTBOE-FMKPAKJESA-N 341.415 1.633 0 40 EDAB CCn1cc(CN2CC3(C[C@@H](Oc4cncc(C)n4)CCO3)C2)cn1 306136361 PRDISGBIFVVRAB-INIZCTEOSA-N 343.431 1.814 0 40 EDAB CC(C)CC(=O)N1CC2(CCN([C@H]3CCN(C(C)C)C3=O)CC2)C1 1050414139 MTUAUAPSXKCMBZ-INIZCTEOSA-N 335.492 1.966 0 40 EDAB O=C(NC1CC(F)(F)C1)[C@@H]1CN(C2CCOCC2)Cc2ccnn21 306139072 SOQRZQJFCBAXIV-AWEZNQCLSA-N 340.374 1.333 0 40 EDAB O=C(Cc1cncc2ccccc12)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1550344018 CTMOYBZTVLDKKS-RDTXWAMCSA-N 326.352 1.337 0 40 EDAB CCCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408600866 CXBUAUQZEHSEDG-UHFFFAOYSA-N 340.445 1.546 0 40 EDAB CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)C(=O)c1ccc2c(c1)COC2 1551462242 VJVOGKKKTZEANY-HUUCEWRRSA-N 328.372 1.480 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2ncn(-c3ccccc3)n2)C1 34910392 JITHPCDAJQSKEU-ZDUSSCGKSA-N 328.372 1.683 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Br)cs2)C1=O 34878349 DSEFQYXOYKPDHL-FPYGCLRLSA-N 345.174 1.576 0 40 EDAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CO)cc1 218518420 RFIBODUCCUMGBI-KZNAEPCWSA-N 331.437 1.879 0 40 EDAB CC(=O)N1CCO[C@@H](c2cc(NCCc3cnccn3)nc(C)n2)C1 72387912 WCBUMGNCRSAYKC-MRXNPFEDSA-N 342.403 1.149 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)n1 71282022 CCCRHJYAWIUNTL-VHSXEESVSA-N 326.374 1.544 0 40 EDAB O=C(NS(=O)(=O)c1cnccn1)c1cc2c(s1)CCCCC2 152474694 WRWBDTOTMQPPAC-UHFFFAOYSA-N 337.426 1.926 0 40 EDAB COc1ccccc1Oc1cncc([C@@H]2CCCN2C(=O)CN)n1 72384460 YHSPZSQNDRWWJF-ZDUSSCGKSA-N 328.372 1.900 0 40 EDAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1cccs1 35598239 HSMSDRQCLBETKD-AWEZNQCLSA-N 343.408 1.895 0 40 EDAB CCN(C[C@H]1CCCCN1C(=O)CN)C(=O)OCc1ccccc1 79412428 FDNKMRDHGLKBTP-MRXNPFEDSA-N 333.432 1.985 0 40 EDAB COc1cccc([C@H](O)CNC(=O)NCc2ccc(C)nc2OC)c1 78925535 LPDPQRMRIMACGA-MRXNPFEDSA-N 345.399 1.940 0 40 EDAB CCCCNc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O 217662709 JJZVQHUIJHOESU-LLVKDONJSA-N 344.433 1.910 0 40 EDAB COc1ccnc(N2CCN(c3ncnc4c3CCCC4)CC2)n1 129177175 ZSBRJYULMWQKPV-UHFFFAOYSA-N 326.404 1.481 0 40 EDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(Cc2ccccc2)c1=O 222654927 SWHRFJBWNPNUCV-UHFFFAOYSA-N 331.372 1.125 0 40 EDAB O=C(NC1CCN(C(=O)C2(C(=O)O)CCC2)CC1)C1CCCCC1 566782088 VEORTVJJSSIVCI-UHFFFAOYSA-N 336.432 1.929 0 40 EDAB CN(C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1F 42645957 DIXDDWWWDQYVMW-UHFFFAOYSA-N 346.200 1.595 0 40 EDAB COc1ccc(CN2Cc3nc(N4CCOCC4)ncc3C2=O)cc1 41122949 XTRHLGWSZXXEGR-UHFFFAOYSA-N 340.383 1.478 0 40 EDAB COc1ccc2[nH]cc(CCNS(=O)(=O)Cc3ccon3)c2c1 80625122 JGBBSQSWEPZVQO-UHFFFAOYSA-N 335.385 1.827 0 40 EDAB COC1([C@H](C)NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CCC1 580527465 YGJZDYQAXJRHCY-RDJZCZTQSA-N 332.444 1.961 0 40 EDAB Cc1nccc(N2CCN(C(=O)N[C@@H](C)c3c(C)noc3C)CC2)n1 97376470 YTDRNWYTVYGAQJ-NSHDSACASA-N 344.419 1.983 0 40 EDAB O=C(c1ccc(F)cc1)N1C[C@@H]2OCCN(C[C@@H]3CCCO3)[C@@H]2C1 96246503 WWVMGOGSMWXFMT-BBWFWOEESA-N 334.391 1.530 0 40 EDAB O=C(NCCCn1cccn1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 96473646 PMWNSRANUHOPNZ-MRXNPFEDSA-N 347.463 1.754 0 40 EDAB COc1ncnc2c1CN([C@@H](C)C(=O)N1CCc3ccccc31)CC2 97202420 NPMNILFABYVDKY-ZDUSSCGKSA-N 338.411 1.821 0 40 EDAB O=C(CCc1cccnc1)N1C[C@@H]2CN(Cc3ccncc3)C[C@@H]2C1 96081000 UOAQMJWQXJKMET-KDURUIRLSA-N 336.439 2.000 0 40 EDAB Cc1cccc(CN2CC3(CCN([C@@H]4CCOC4)CC3)OCC2=O)n1 96201461 IRVGPVZRPXRZKZ-QGZVFWFLSA-N 345.443 1.372 0 40 EDAB O=C(c1ccnnc1)N1C[C@@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 97953798 KJZZOCMHLBALHK-FMKPAKJESA-N 326.356 1.323 0 40 EDAB Cc1nccc(CNC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)n1 96455018 POBQOBWDIJMMJU-JTQLQIEISA-N 331.342 1.563 0 40 EDAB COCCN1CC[C@H]2C[C@@H](C(=O)N(C)Cc3ccccn3)O[C@@H]2C1 96043037 UIVFWZMTUXPXFS-BHYGNILZSA-N 333.432 1.166 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccccn1)C2 96039562 IUALFUOKFZVZTC-HKUYNNGSSA-N 347.459 1.671 0 40 EDAB O=C1NC2(CCN(C(=O)c3cnccn3)CC2)C[C@H]1c1ccncc1 96199557 YRYQNFUBCBLIFF-AWEZNQCLSA-N 337.383 1.150 0 40 EDAB Cc1ccc(N2CCN(CC3CC3)C3(CCN(C)CC3)C2=O)cn1 96077219 MTARRONBXFZQNB-UHFFFAOYSA-N 328.460 1.913 0 40 EDAB Cc1nc(C(=O)N[C@@H]2C[C@H]2c2cncn2C)nn1-c1ccc(F)cc1 582235877 VCKPNMMSSSVUNI-ZIAGYGMSSA-N 340.362 1.734 0 40 EDAB Cn1cnc(C(=O)N2CCC3(CC2)C[C@H](Nc2ncccn2)CO3)c1 96090000 JCWCAZJOGOBPSM-ZDUSSCGKSA-N 342.403 1.086 0 40 EDAB COc1cc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccccc2)nn1C 583620922 GTCOHHWMQHSJLJ-RDJZCZTQSA-N 344.415 1.230 0 40 EDAB CCO[C@@H](C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 61868184 LZBJLCYCTCCESR-NSHDSACASA-N 342.237 1.918 0 40 EDAB CN(C)c1nccnc1[C@@H]1CN(C(=O)CCc2cccnc2)CCO1 257316892 VHLXRUKDQQUIKF-HNNXBMFYSA-N 341.415 1.470 0 40 EDAB Cc1ncsc1CN1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1 257269886 MRUVNCHOCZQVSR-ZIAGYGMSSA-N 334.397 1.774 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc3nc(C)cc(C)n3n2)n1 257295699 QZMRXRBYMNODDG-AWEZNQCLSA-N 340.387 1.591 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2cncc(C)c2)n1 257253519 JZGLNOPWYZMEDC-KRWDZBQOSA-N 339.399 1.793 0 40 EDAB CCc1cc(C(=O)N2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)no1 257264695 LVRFJYBDEAJCRV-HOTGVXAUSA-N 341.367 1.493 0 40 EDAB CCn1nc(C(C)C)cc1C(=O)N1CC[C@H]2OCC(=O)N(C)[C@H]2C1 257257539 KQBDVFSXWYPQFG-LSDHHAIUSA-N 334.420 1.098 0 40 EDAB O=C(NC[C@]1(O)CCN(c2cnccn2)C1)c1ccc2c(c1)CCC2 257277133 NWOLNENAHKCQPL-LJQANCHMSA-N 338.411 1.337 0 40 EDAB CCCn1ccnc1CN1CCNC[C@@H]1c1cccc(C(=O)NC)c1 257286191 PKRKPXYQDNCNAZ-QGZVFWFLSA-N 341.459 1.799 0 40 EDAB CNCC(=O)N1CCC2(CC1)CO[C@H](Cc1ccc(OC)cc1)C2 257289240 PXSHTRIQKDDLKN-QGZVFWFLSA-N 332.444 1.855 0 40 EDAB CC[S@](C)(=O)=NS(=O)(=O)NC[C@H](Cc1ccccc1)N(C)C 585115385 YIONEZTWHKHDMY-QKKBWIMNSA-N 347.506 1.111 0 40 EDAB CC(=O)NCC(=O)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 257243124 IFOIHRMWOLGFNU-HKUYNNGSSA-N 346.427 1.489 0 40 EDAB Cn1ccc(C(=O)N2CCC(c3nccnc3-c3ncc[nH]3)CC2)n1 257209847 BSDDNJQCGCOKHR-UHFFFAOYSA-N 337.387 1.620 0 40 EDAB CC(C)n1cc(CNC(=O)[C@@]23CCCC[C@@H]2NCC3)c(O)nc1=O 1615544903 BDICZMYQAVXFAQ-SUMWQHHRSA-N 334.420 1.068 0 40 EDAB CC[C@@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 575424953 WIDUOKJTFITTKL-CHWSQXEVSA-N 331.459 1.663 0 40 EDAB Cn1cc(NC(=O)NCCNc2ccccn2)c(Br)n1 585141395 UFLNCQUEUJBKIC-UHFFFAOYSA-N 339.197 1.811 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 585093668 UAFYMCUZMJELLI-GFCCVEGCSA-N 344.346 1.463 0 40 EDAB Cc1c(C(=O)N2C[C@@H]3OCC(=O)N(C)[C@H]3C2)[nH]c2ccc(F)cc12 585261370 GEVNUMWEVKEEBD-KBPBESRZSA-N 331.347 1.297 0 40 EDAB O=C(NC[C@H]1CN(Cc2ccco2)Cc2ccnn21)N1CCCC1 585112302 OGWBIAOEENMIHZ-HNNXBMFYSA-N 329.404 1.838 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)Cc2cccs2)Cc2cccn2C1 585099227 WOAPQNRTJUMQRW-CYBMUJFWSA-N 331.441 1.887 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@@H]1O 585279203 VESGPPIZQSATSO-CABZTGNLSA-N 330.306 1.274 0 40 EDAB O=C(O)COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1F 926551628 WUWRRAISXPZRQG-SUZMYJTESA-N 343.376 1.756 0 40 EDAB CN(CC(=O)N(C)C1Cc2ccccc2C1)c1ncnc2[nH]cnc12 56299919 JCOWSAJRZYSBFD-UHFFFAOYSA-N 336.399 1.415 0 40 EDAB CNC(=O)c1cccc(NC(=O)NCC(=O)NC2CCCCC2)c1C 58618593 YTOHAPDIRKGSOJ-UHFFFAOYSA-N 346.431 1.925 0 40 EDAB C[C@H](NC(=O)N[C@H](C)Cn1ccnc1)c1ccc2c(c1)CC(=O)N2 65446505 KLWKGTIGTRNQNI-NEPJUHHUSA-N 327.388 1.827 0 40 EDAB CN(C1CCN(c2cncc(Br)c2)CC1)S(C)(=O)=O 96429266 KIRRYZABDXHOON-UHFFFAOYSA-N 348.266 1.704 0 40 EDAB CO[C@H]1CCN(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)C1 1614653528 HIEXZVSZIZJLQU-AWEZNQCLSA-N 341.433 1.013 0 40 EDAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C2COC2)C1 1615154084 DGVCLCXFYVIQKR-SNVBAGLBSA-N 332.429 1.581 0 40 EDAB O=C(COC1CCCCC1)N1CCOC2(CCS(=O)(=O)CC2)C1 1615615274 OAUOMXGQLFVCRF-UHFFFAOYSA-N 345.461 1.142 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc(C)c2)NC(=S)N1 13865441 VDCYCTMMBZNIHJ-OAHLLOKOSA-N 331.441 1.647 0 40 EDAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(N)=O)c1 16043185 JGXHIHIXFGOQGH-ZYSHUDEJSA-N 348.443 1.857 0 40 EDAB biogenic CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16681679 VJSUAKUPEHPQQB-UHFFFAOYSA-N 326.418 1.422 0 40 EDAB CC[C@]1(C(=O)OC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19500719 ZGXVQNNROBNADB-MRHIQRDNSA-N 334.347 1.023 0 40 EDAB Cc1nnc2ccc(N3CCC[C@H](C(=O)N4CCSCC4)C3)nn12 1889111311 FGSJPSVVKKIYGX-ZDUSSCGKSA-N 346.460 1.225 0 40 EDAB CC(C)Oc1ccc(C(=O)N(C)C2CN(c3cnccn3)C2)cn1 1776001459 URWYDBNOKZVWGP-UHFFFAOYSA-N 327.388 1.620 0 40 EDAB CCOC(=O)CN(C(=O)CN1C[C@H](C)O[C@H](C)C1)c1ccccc1 40007853 WBQQVOPACILGDJ-GASCZTMLSA-N 334.416 1.692 0 40 EDAB O=C(CC1(O)CCC1)N1C[C@H]2Cc3nc(N4CCCC4)ncc3[C@H]2C1 2056214975 HPHNXERHUNUTON-HIFRSBDPSA-N 342.443 1.480 0 40 EDAB COC(=O)c1cnc(NC(=O)c2cccnc2O[C@@H]2CCOC2)s1 253398708 HIWKWRNBYICMBG-SECBINFHSA-N 349.368 1.745 0 40 EDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@]1(O)CCCc2occc21 1565523842 YICXUVURAPJYOR-SFHVURJKSA-N 346.358 1.375 0 40 EDAB O=C(c1cc[nH]c1)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1 1565545624 JISQDHAMICCPPM-KBXCAEBGSA-N 340.383 1.067 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCc1nnnn1-c1ccc(F)cc1 16890862 PQKCTHCRAFVGQR-LBPRGKRZSA-N 341.346 1.885 0 40 EDAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccon1 16976491 CHVLCNPTWYAMNY-UHFFFAOYSA-N 347.346 1.617 0 40 EDAB O=C(NCCN1C(=O)COC1=O)Nc1nc(-c2ccccn2)cs1 575616701 NUILFONARURZRM-UHFFFAOYSA-N 347.356 1.305 0 40 EDAB O=S(=O)(NC1CCN(c2ncnc3c2CCCC3)CC1)C1CC1 225737989 JIVLJHPNZJLIRK-UHFFFAOYSA-N 336.461 1.406 0 40 EDAB CCCNC(=O)CNC(=O)C1CCN(C(=O)c2ccsc2)CC1 30559488 SWZMRMOCQODHOJ-UHFFFAOYSA-N 337.445 1.243 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)o1 30602074 GFRPOECNVJIVST-UHFFFAOYSA-N 327.387 1.385 0 40 EDAB O=C(CN1CSCC1=O)NCc1cc(Br)ccc1F 45399611 XGYVUPZMQVTNQL-UHFFFAOYSA-N 347.209 1.737 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccc3c(c2)CCC(=O)N3)C[C@H](C)O1 40489269 VKBLZGGMKZKBEP-STQMWFEESA-N 331.416 1.410 0 40 EDAB COC(=O)C1=NN[C@@H](C(=O)c2ccco2)[C@@H]1c1ccc(OC)cc1 818151 VBNHHVUAGWKNJC-UONOGXRCSA-N 328.324 1.756 0 40 EDAB CCn1nnnc1SCC(=O)Nc1ccccc1N1CCOCC1 1357439 UFIVUVKEDJOSET-UHFFFAOYSA-N 348.432 1.260 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 40525025 MBTHJBVYUWDYAT-SECBINFHSA-N 343.305 1.849 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)CN2CCOCC2)cc1 40528160 VYCVEDCGPFDELC-CYBMUJFWSA-N 328.434 1.084 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CS[C@]3(C)CSCC(=O)N23)cn1 40554198 DIUZXVZSLJTWIW-IINYFYTJSA-N 339.442 1.436 0 40 EDAB CCn1cnnc1CNC(=O)c1ccccc1OC[C@H]1CCCO1 40535052 IBNIEQGOOHJUCM-CYBMUJFWSA-N 330.388 1.786 0 40 EDAB O=c1[nH]c(=O)n(-c2ccccc2F)c2c1CN(C1CCCC1)CN2 20508422 BBLWYVIXRUBAOT-UHFFFAOYSA-N 330.363 1.793 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)O)c1 3888811 AANISZQFOXUQFH-UHFFFAOYSA-N 330.406 1.474 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCCC1=CCCCC1 4111038 GOAMFDINFKIMQQ-FSDCSDTHSA-N 328.412 1.800 0 40 EDAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccnc1 15435947 WIUPDIBDWUTDHY-UHFFFAOYSA-N 348.380 1.655 0 40 EDAB C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101148425 VXSGAVQXYGMXPD-SHTIJGAHSA-N 328.343 1.960 0 40 EDAB Cc1ccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)cc1 6679528 MRLSXRMZCAWEKZ-UHFFFAOYSA-N 343.408 1.387 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1 7055477 YVIIQIUHTCIHLG-UHFFFAOYSA-N 337.401 1.929 0 40 EDAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1 7380720 ZGVZLGOWSZIQGD-ZDUSSCGKSA-N 347.440 1.793 0 40 EDAB CCC(=O)N[C@H]1CCCN(CCn2cnc3ccsc3c2=O)C1 75147482 ZTMBYINXGAYEAN-LBPRGKRZSA-N 334.445 1.449 0 40 EDAB CCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 11566102 HPLLZBALIPPYQC-UHFFFAOYSA-N 340.445 1.555 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)Nc3nncs3)cn2)CCO1 45948565 UNYVFFPSDIZMJU-JTQLQIEISA-N 334.405 1.480 0 40 EDAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCCO)cc1OC 19908505 HUHPZKIGMUWOKL-UHFFFAOYSA-N 344.367 1.678 0 40 EDAB C[C@H](CNC(=O)c1cc(-c2ccccc2)on1)N1CCN(C)CC1 32624723 ORSBVWXVJKPXIX-CQSZACIVSA-N 328.416 1.707 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)Cc2nc(C(C)C)no2)no1 46135919 COPNSBRQGVSDGL-SECBINFHSA-N 342.377 1.431 0 40 EDAB CCc1noc([C@@H](C)N2CCN(CC(=O)Nc3ccccc3)CC2)n1 32760337 BVYZTAYFQIADQT-CQSZACIVSA-N 343.431 1.949 0 40 EDAB CN(C)C(=O)CN(CC(F)(F)F)C(=O)Cn1ncc2ccccc21 75134275 XHXVSZIVVBKOTK-UHFFFAOYSA-N 342.321 1.515 0 40 EDAB Cc1ccc(-n2ncc3c(N(CCO)CCO)ncnc32)c(C)c1 551410 UCQHFTGHPOSPAC-UHFFFAOYSA-N 327.388 1.223 0 40 EDAB O=C(CNC(=O)c1ccccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1 15565117 CUDDMYDQEFVOEX-UHFFFAOYSA-N 328.303 1.364 0 40 EDAB C[C@H](CNC(=O)[C@H]1CCCN(c2ncccn2)C1)Cn1cccn1 53545021 VFSBVQLZGCMTSG-CABCVRRESA-N 328.420 1.342 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)[C@@H]2CCCN2S(C)(=O)=O)o1 42000963 HEZSDULYARLESO-XBFCOCLRSA-N 340.445 1.785 0 40 EDAB C[C@]1(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)CCS(=O)(=O)C1 22552646 CCEPETVSHDZEPN-SFHVURJKSA-N 349.452 1.832 0 40 EDAB O=C1CN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CCN1 57450370 ARAKUCVTQDRRJH-UHFFFAOYSA-N 337.228 1.199 0 40 EDAB Cc1ccc(CNC(=O)COC(=O)CN(C)c2ncccn2)cc1F 23199652 GOTTXQUUPRCYFF-UHFFFAOYSA-N 346.362 1.220 0 40 EDAB O=C(CN1CCN(C(=O)C2CCOCC2)CC1)Nc1ccc(F)cc1 23649114 XQAZUIZAZXBEII-UHFFFAOYSA-N 349.406 1.335 0 40 EDAB CC(C)(CNC(=O)[C@H]1CNC(=O)N1)c1cccc(C(F)(F)F)c1 89761732 JKUXXXFNBWIXJF-LLVKDONJSA-N 329.322 1.781 0 40 EDAB O=C(C[C@H]1C(=O)NCCN1Cc1ccoc1)NCCC1=CCCCC1 55199404 ZOXZJPWOIGCLRD-KRWDZBQOSA-N 345.443 1.977 0 40 EDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H]1c3cc(Cl)ccc3OC[C@H]1CO2 1391787 KVZJLVOIDJMGOM-UFBFGSQYSA-N 334.759 1.270 0 40 EDAB Cc1ccc([C@H](CNc2nc(=O)c3cn[nH]c3[nH]2)N2CCOCC2)o1 106463293 LYWSSCBKJILQFO-LBPRGKRZSA-N 344.375 1.033 0 40 EDAB C[C@H](Sc1nnc(NC2CC2)s1)c1nc(N)nc(N(C)C)n1 25041773 JLDMALYCZRQSMT-LURJTMIESA-N 338.466 1.799 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(CC[S@](=O)c2ccccc2)C1 106657735 UBXCEJMZFKUPGN-SPLOXXLWSA-N 344.502 1.055 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NC[C@H](C)N3C[C@H](C)O[C@H](C)C3)cc12 25127303 WFIOUZMCGUTAJS-RWMBFGLXSA-N 345.447 1.504 0 40 EDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1=O 106858852 JHQRBKIZDYJVMA-XBPIAWKYSA-N 327.384 1.921 0 40 EDAB CC[C@@H]1CN(CC(=O)N[C@H](C)c2cccs2)CCN1C[C@H](C)O 106906669 VJXSOJNBTMKOJS-RRFJBIMHSA-N 339.505 1.702 0 40 EDAB O=C(CN1CCC[C@@H]1c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 25360823 FUWITMMCPZTIND-HUUCEWRRSA-N 340.420 1.266 0 40 EDAB O=S1(=O)CC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 7308490 GTMVLPWLFQYDMA-ZCRIDZFUSA-N 335.834 1.417 0 40 EDAB CCN(Cc1cccs1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 25761096 QTYKHOYTWHNYFH-UHFFFAOYSA-N 329.381 1.940 0 40 EDAB CC(C)(NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)C(N)=O 57050567 OWVWMNAAMJGNSO-CYBMUJFWSA-N 339.395 1.573 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)OCC(=O)c1ccc(O)cc1O 57588908 HAXTXOPHHAWHBO-VIFPVBQESA-N 332.356 1.978 0 40 EDAB O=C(Cn1nnc(-c2cccs2)n1)NCCOc1ccccc1 7489302 KUPYZCNHZLAPCC-UHFFFAOYSA-N 329.385 1.597 0 40 EDAB Cc1ccc([C@H](CNC(=O)[C@@H](C)n2cccn2)N2CCOCC2)o1 44686050 GLXICMDDCZQYIM-CABCVRRESA-N 332.404 1.535 0 40 EDAB COc1ccc(OC)c(NC(=O)c2ccc(-n3cnnn3)cc2)c1 3357167 IHIVCTGYNNUGMT-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCC1 36090466 YDBMOKRLORZQOW-ZDUSSCGKSA-N 339.417 2.000 0 40 EDAB COc1ccc(CN(C)C(=O)[C@H]2CCCN2S(C)(=O)=O)cc1F 44873978 XMWOANWXZZELSD-CYBMUJFWSA-N 344.408 1.217 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)C(=O)NC1CCCC1 58266577 KQHBLVAMVLBEMW-SECBINFHSA-N 332.372 1.690 0 40 EDAB Cc1nc(CCNC(=O)NC[C@H](C(C)C)N2CCOCC2)cs1 44953628 SFRCDHZAVBHZGQ-OAHLLOKOSA-N 340.493 1.650 0 40 EDAB O=C(N1CCCCC1)N1CCN(c2cncc(-n3cccn3)n2)CC1 44975207 KBQWCYLTFJTBBC-UHFFFAOYSA-N 341.419 1.390 0 40 EDAB COC(=O)c1cccn1C1CCN(CC(=O)NCc2ccco2)CC1 58332830 MHIKVLGNKHETOX-UHFFFAOYSA-N 345.399 1.821 0 40 EDAB CCS(=O)(=O)Nc1ccccc1C(=O)N1CCOC(C)(C)C1 58406902 BWRMSKJPKAMJKA-UHFFFAOYSA-N 326.418 1.699 0 40 EDAB O=S(=O)(Cc1ccccc1)NCc1cccnc1N1CCOCC1 28042289 DNOXSSWAQLKCLL-UHFFFAOYSA-N 347.440 1.538 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)NC[C@@H](c1ccsc1)N(C)C 48332452 RQVZQASNCZFFCW-ZDUSSCGKSA-N 348.476 1.730 0 40 EDAB Cn1c(=O)c2cc3c(nc2n(C)c1=O)C[C@@H](c1ccccc1)CC3=O 2325853 VZZCFOWJTLPKRM-GFCCVEGCSA-N 335.363 1.545 0 40 EDAB Cc1ccnc2nc(C(=O)NC[C@@H]3COc4ccccc4O3)nn12 3435569 JCKGWKYIJYZYJS-LLVKDONJSA-N 325.328 1.003 0 40 EDAB NC(=O)CN(C(=O)c1cn(-c2ccc(Cl)cc2)nn1)C1CCCC1 62639818 CWRKUMZOCCYEQP-UHFFFAOYSA-N 347.806 1.791 0 40 EDAB CC1(C)Cc2c(sc(NC(=O)N3CCNCC3)c2C(N)=O)CO1 13629092 NNHYMAGGKRHPFL-UHFFFAOYSA-N 338.433 1.135 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)Oc1ccccc1P(=O)(O)O 13625345 GLPIDUUSUBMABP-SOFGYWHQSA-N 348.247 1.837 0 40 EDAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCNC1=O 6028799 WNBJRXXDCCUTTM-UHFFFAOYSA-N 343.368 1.862 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C(=O)NCCN(C)C 13725766 LPYSPTXQUXAKHB-UHFFFAOYSA-N 343.431 1.165 0 40 EDAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(-n2cnnn2)cc1 7987002 XOYNMJAQNGNOTC-OAHLLOKOSA-N 335.323 1.903 0 40 EDAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(=O)[nH]c3)c2C(N)=O)C1 7986511 KMDWJAYWGRXNQH-QMMMGPOBSA-N 331.397 1.912 0 40 EDAB Cc1nc2n(c1C)CCN(CC(=O)NCCOc1ccccc1)C2 65464776 ZOQSANMHJDVBSJ-UHFFFAOYSA-N 328.416 1.511 0 40 EDAB Cc1ccc(F)c2c1CCCN2CC(=O)N[C@H]1CCS(=O)(=O)C1 68859298 ZGHDCRKCPFVDOP-LBPRGKRZSA-N 340.420 1.190 0 40 EDAB Cc1cnn(C[C@H]2CN(C[C@H](O)COc3ccc(F)cc3)CCO2)c1 69445548 XGWKOOHHVCSTNT-FUHWJXTLSA-N 349.406 1.471 0 40 EDAB COc1cc2[nH]c(C(=O)NCCCN(C)C)cc2c(OC)c1OC 5324081 WOYMHXREQQDBRQ-UHFFFAOYSA-N 335.404 1.875 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCCNC(=O)Cc1cccc(F)c1 65552446 YFBLEXSHJWIMNR-UHFFFAOYSA-N 347.438 1.382 0 40 EDAB CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1CC(=O)N(CC3CC3)C1)CC2 65536251 SNQIHSJIGZDCJI-UONOGXRCSA-N 345.447 1.091 0 40 EDAB Cn1ccnc1CCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 65551834 UZDCQNYACVQUPU-UHFFFAOYSA-N 343.355 1.389 0 40 EDAB CCOC(=O)N[C@@H](C(=O)Nc1nc(CC(=O)OC)cs1)C(C)C 69419652 VAKPWEPBFBSQHQ-LLVKDONJSA-N 343.405 1.568 0 40 EDAB COc1ccc(OCCNCC(=O)NCc2ccccc2OC)cc1 16695478 YDIKBRASJUKNOG-UHFFFAOYSA-N 344.411 1.989 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2csc(-c3nnc[nH]3)n2)C1 69451812 ZAFATLNXHDCLPA-GHMZBOCLSA-N 334.449 1.636 0 40 EDAB CCn1nc(C)c(C(=O)N2CCCN(c3ccc(C)nn3)CC2)c1C 69493441 DGDNVOMXCJJEOK-UHFFFAOYSA-N 342.447 1.971 0 40 EDAB CCc1noc([C@H](C)N2CCN(CCC(=O)N3CCCCC3)CC2)n1 69436846 JJDKKVMKXGAHCV-HNNXBMFYSA-N 349.479 1.713 0 40 EDAB COc1ccc(CCN2CCN(CC(=O)N[C@@H](C)C3CC3)CC2)cc1 69533603 OPROGYDMLHRCCX-INIZCTEOSA-N 345.487 1.770 0 40 EDAB CC(=O)N[C@H](C)C(=O)N(C)C1CCN(CCc2ccncc2)CC1 83888297 KKSRZEAVVWNBAH-CQSZACIVSA-N 332.448 1.072 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](c2cccc(F)c2)C1 69775962 IBOCVRNJFAQMGI-TZMCWYRMSA-N 326.393 1.512 0 40 EDAB Cc1cc(NC(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)n(C)n1 69774342 BNQCBBGCOVSFRH-OAHLLOKOSA-N 341.415 1.740 0 40 EDAB C[C@@H](O)CN1CCN(CCC(=O)NCc2ccccc2Cl)CC1 69776415 GMLVJZLCSPEPMY-CQSZACIVSA-N 339.867 1.345 0 40 EDAB CCS(=O)(=O)c1ccc(N2CCC(NCCC(=O)O)CC2)cc1 69841044 YRSQPHLVDJWKPN-UHFFFAOYSA-N 340.445 1.513 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccccc1-n1cnnn1 69815415 DUEVJWCRGWCJAV-HOTGVXAUSA-N 326.404 1.361 0 40 EDAB Cc1ccc(OCC(=O)N2CCCN(Cc3nccn3C)CC2)cc1 69946723 YUUGWJBBNFVFGH-UHFFFAOYSA-N 342.443 1.842 0 40 EDAB CC(C)S(=O)(=O)[C@H](C)C(=O)O[C@H]1CCN(C(=O)OC(C)(C)C)C1 71908423 HDRBLLLZVMXHJD-NEPJUHHUSA-N 349.449 1.751 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)CN(CCCCO)C2CC2)cc1 71911935 CRUYQWSQSPASKN-UHFFFAOYSA-N 340.445 1.266 0 40 EDAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc3nncn3c2)cc1 83937922 NKTPUAKNGMTEMQ-CQSZACIVSA-N 340.339 1.684 0 40 EDAB CCCCN(CCO)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC 70947883 QUGGQBRBBITTEX-KRWDZBQOSA-N 348.443 1.207 0 40 EDAB COc1ccc(Cl)cc1NCC(=O)N[C@H]1CCS(=O)(=O)C1 9155676 WDXYILREULUUFR-JTQLQIEISA-N 332.809 1.064 0 40 EDAB Cc1nc2cc(C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)ccc2n1C 72269197 HALBRGYAVPCCPF-ZWKOTPCHSA-N 342.443 1.553 0 40 EDAB CCN1CCN(C(=O)[C@@H](C)N2CCC[C@@H]2c2c(C)nn(C)c2C)CC1 71876638 ATWACOBIRPXFNZ-IAGOWNOFSA-N 347.507 1.726 0 40 EDAB Cc1nccn1-c1ccc(F)cc1CNC(=O)CCN1CCCC1=O 71886028 GNBVPLNOHWYZPD-UHFFFAOYSA-N 344.390 1.949 0 40 EDAB Cc1cc(NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)no1 71858586 PJSOXSBUCOWWHP-UHFFFAOYSA-N 335.408 1.145 0 40 EDAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccnc1 71890272 IFKOLOUJURUCCL-GFCCVEGCSA-N 341.433 1.712 0 40 EDAB COc1ccc(C(=O)NCC2(N3CCCCC3)CCOCC2)cn1 71893339 BJZNRCAVYBXWHK-UHFFFAOYSA-N 333.432 1.855 0 40 EDAB CCO[C@H]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)C1 71825580 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340.368 1.037 0 40 EDAB O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc2c(c1)OCCO2 78986952 PMFBNJXQJKIISO-JTQLQIEISA-N 344.289 1.351 0 40 EDAB COC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 95369506 XJLIZJFVYZBMOS-XHDPSFHLSA-N 347.440 1.834 0 40 EDAB C[C@@H](CCN1CCCC1)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 95400528 YAYRMASEPJERDX-PKOBYXMFSA-N 345.487 1.878 0 40 EDAB C[S@@](=O)c1ccc(CNS(=O)(=O)c2ccc3cn[nH]c3c2)cc1 95427596 AJHBNXVWNTXHDY-QFIPXVFZSA-N 349.437 1.779 0 40 EDAB CCN(CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)S(C)(=O)=O 84761277 XJMPCMBKULWDTJ-JTQLQIEISA-N 334.388 1.766 0 40 EDAB CCN(C[C@H]1CN(Cc2nc(C3CC3)no2)CCO1)c1cccnn1 84774684 AONCEKXKHZWDMT-CQSZACIVSA-N 344.419 1.464 0 40 EDAB CC[C@H]1CN(C(=O)Cc2cn3ccsc3n2)C[C@H]1N1CCOCC1 84735910 DKYJWWANAKBJBG-DZGCQCFKSA-N 348.472 1.508 0 40 EDAB C[C@@H](CCO)CNS(=O)(=O)c1ccc(Br)s1 85133234 GAYTVPSYGUYSJS-ZETCQYMHSA-N 328.253 1.807 0 40 EDAB CN(C)S(=O)(=O)NCCOCc1ccc(Cl)cc1Cl 95988832 QXNFJJIRKDOKDN-UHFFFAOYSA-N 327.233 1.906 0 40 EDAB CC(C)N1CCC[C@H](N2CCN(C(=O)c3ccccn3)CC2)C1=O 95963664 NRPZRLJEJWPNEP-INIZCTEOSA-N 330.432 1.239 0 40 EDAB COC(=O)[C@]1(F)CCN(C(=O)NCCCOCc2ccco2)C1 74804584 SCLSSBOHTNVMFR-HNNXBMFYSA-N 328.340 1.483 0 40 EDAB O=S1(=O)CCCN1Cc1nc([C@H]2CCOc3ccccc32)no1 546402230 OEZKJRXUAPIOIH-LBPRGKRZSA-N 335.385 1.520 0 40 EDAB CN1CCN(C(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 30858124 FEKHPWWLPRFBIJ-UHFFFAOYSA-N 331.825 1.099 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408551857 JIBBRUHAWIAWSY-NWDGAFQWSA-N 328.434 1.585 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)NC(=O)N[C@]1(O)C(F)(F)F 35026146 WASXVRSKFWQIIC-MISXGVKJSA-N 346.305 1.779 0 40 EDAB C[C@@H](NC(=O)C[C@@H]1CCc2ccccc2C1)C(=O)N1CCOCC1 78986497 JPISEKGYULXOQT-HUUCEWRRSA-N 330.428 1.545 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(N2CCCC2)c(C(=O)O)c1 217667066 YEGGDWBOXFLXSE-NSHDSACASA-N 342.417 1.298 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218399973 NMHKLPFJRRCWTJ-NUJGCVRESA-N 346.404 1.998 0 40 EDAB 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KHRKOAZQYIDZOQ-UHFFFAOYSA-N 339.392 1.452 0 40 EDAB COC(=O)/C=C1/SCC(=O)N1CCCN1CCOc2ccccc21 65234727 HXMHEDKYIDSQHR-LFIBNONCSA-N 348.424 1.865 0 40 EDAB O=C(NCCNC(=O)c1cccnc1Cl)c1cccnc1Cl 6330385 NIDAAEIQOVVNGV-UHFFFAOYSA-N 339.182 1.943 0 40 EDAB CCc1nc(CC(=O)N(CCCN(C)C)CCCN(C)C)cs1 69566953 TUMPOXDKMFVVSE-UHFFFAOYSA-N 340.537 1.980 0 40 EDAB CCC[C@@H](NC(N)=O)C(=O)NCc1ccccc1Cn1ccnc1 65520472 GDUCRKFICANNMF-OAHLLOKOSA-N 329.404 1.385 0 40 EDAB COC(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H](c2nc(C)no2)C1 65565584 RNEOGZGZNRSPRG-CHWSQXEVSA-N 338.408 1.855 0 40 EDAB CN1C(=O)C(=O)N(CN2CCC(OCc3ccccc3)CC2)C1=O 14142035 WDUBNHDTPAUFLX-UHFFFAOYSA-N 331.372 1.046 0 40 EDAB CCO[C@H](CC)C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 65604734 JMLUNCGOJCTIAV-OAHLLOKOSA-N 344.415 1.662 0 40 EDAB COc1cccc2c1OCC(C(=O)NS(=O)(=O)c1cccnc1)=C2 69537246 ZRKKILDMBHLGKC-UHFFFAOYSA-N 346.364 1.371 0 40 EDAB CC(=O)Nc1ccc(C(=O)COC(=O)CN2CCCCCC2=O)cc1 5539495 FOUIHBOPZBBEBR-UHFFFAOYSA-N 346.383 1.774 0 40 EDAB OCCOCCNc1nc2sc3c(c2c2ncnn12)CCCC3 5561090 WQSKTQORNNUTCE-UHFFFAOYSA-N 333.417 1.639 0 40 EDAB CCCNC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 5792237 VZEHUQQWVXSVQT-OAHLLOKOSA-N 325.315 1.258 0 40 EDAB c1ccc(Cc2noc(CN3CCO[C@@H](Cn4cccn4)C3)n2)cc1 69392320 ZPKZEUPQYGHYRW-MRXNPFEDSA-N 339.399 1.758 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@@H](Cc3nccn3C)C2)n(C)n1 90003438 BXHQSKLAAZPVOV-AWEZNQCLSA-N 330.436 1.355 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 69948657 KEEOWEFMRABIJA-OAHLLOKOSA-N 331.416 1.323 0 40 EDAB C[C@H](O)CCNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 92352971 QYJWPCBQANKJEE-PSOPSSQASA-N 339.823 1.682 0 40 EDAB O=C(NCCS(=O)(=O)c1ccccc1)N1CCCSCC1 89847697 UOHNETMBOLQMFH-UHFFFAOYSA-N 328.459 1.609 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)c2sc(C)nc2C)c1 27306532 QSNUBNJLAMCMNL-UHFFFAOYSA-N 339.442 1.598 0 40 EDAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2CC[C@@H](CN3CCCCC3)C2)C1 89819149 NEZCQMJGIRDTOP-FUHWJXTLSA-N 347.503 1.969 0 40 EDAB COc1ccc(OC[C@H](O)CN(C)Cc2c(C)nn(C)c2C)cc1 71280480 UPYYKKJWTANLTM-OAHLLOKOSA-N 333.432 1.917 0 40 EDAB COc1ccc(/C=C/C(=O)NCCNC(=O)c2ccc(C)nc2)cc1 9227294 ZKHPLEDFCXJZOU-UXBLZVDNSA-N 339.395 1.958 0 40 EDAB CCN(C(=O)CN1CCN(c2cnccn2)CC1)C1CCCCC1 96714520 YDDWPNLLGCSCMP-UHFFFAOYSA-N 331.464 1.780 0 40 EDAB CCn1nc(C(=O)N[C@](CC)(C(=O)O)c2ccccc2)ccc1=O 89947863 AIBXPEPQYQWSJZ-KRWDZBQOSA-N 329.356 1.383 0 40 EDAB Cc1ccc(=O)n(CC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)n1 96407364 BQIJUMKIXCEKCM-OAHLLOKOSA-N 344.390 1.476 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)n1 71821886 RSXRWLBSLMYXDV-UHFFFAOYSA-N 344.440 1.998 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1cccc2c1OC(C)(C)C2 71829804 GQHJZTOUSLUQHR-GXTWGEPZSA-N 346.427 1.891 0 40 EDAB CC1CCN(C[C@H](O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 71825007 NCTANOVBUYBIBA-MPGHIAIKSA-N 337.464 1.580 0 40 EDAB CC[C@@H]1CCCCN1CCNC(=O)N1CCN(Cc2ccon2)CC1 76086868 ZJESWNNMPCNHNZ-QGZVFWFLSA-N 349.479 1.766 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)no1 72290876 BQJZVKUSCHHOMP-UHFFFAOYSA-N 340.387 1.466 0 40 EDAB Cc1cccc(S(=O)(=O)NC(=O)c2ccc3c(c2)nnn3C)c1 72271767 BRACFLFQUBSWDK-UHFFFAOYSA-N 330.369 1.395 0 40 EDAB C[S@](=O)CCN1CCN(c2ncnc3c2oc2ccccc23)CC1 76023340 MYLXDCDBVXYECT-XMMPIXPASA-N 344.440 1.877 0 40 EDAB CCc1nncn1CCNC(=O)Nc1cc(F)c(OC)c(F)c1 76069391 JLUBOOWRVFXDJT-UHFFFAOYSA-N 325.319 1.949 0 40 EDAB C[S@](=O)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 76016880 JVCKJVUFLANMHM-WAIKUNEKSA-N 337.489 1.576 0 40 EDAB CN1C[C@@H](NC(=O)CCc2cc(F)ccc2Br)CC1=O 97107256 VBSVKXMQUVJAJC-NSHDSACASA-N 343.196 1.868 0 40 EDAB Cn1ccnc1[C@H](Nc1ncnc2c1cnn2CCO)c1ccccc1 97199672 AJCLKWBYHTYZQX-OAHLLOKOSA-N 349.398 1.754 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCC(C)(CO)CC1)Cc1ccccc1 97141025 SFLNLZLYBJKSMR-QGZVFWFLSA-N 333.476 1.963 0 40 EDAB Cc1ccccc1-n1ncc2c(=O)n(CN3CCCCC3=O)cnc21 97237174 IQRKGRBUNIWFIQ-UHFFFAOYSA-N 337.383 1.861 0 40 EDAB CC(C)Oc1nnc(S[C@H](C)C(=O)NC(=O)NC2CC2)s1 84622069 GOUVUXSZLMJLFD-SSDOTTSWSA-N 330.435 1.794 0 40 EDAB O=C(/C=C/c1ccco1)N1CCN(Cc2noc(C3CC3)n2)CC1 95394623 RFQAENSYAATFRZ-AATRIKPKSA-N 328.372 1.898 0 40 EDAB Cc1nc(COc2ccc(C(=O)N3C[C@H](C)[C@@H](N(C)C)C3)cc2)no1 78894754 RTPLAUXOSBVWKX-LRDDRELGSA-N 344.415 1.979 0 40 EDAB Cc1nc(N2CCOC[C@H]2C(N)=O)c2c3c(sc2n1)CCCC3 95467544 HKGLZRZGYLXPSL-NSHDSACASA-N 332.429 1.569 0 40 EDAB Cc1nc(C)c(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)o1 95445941 UGKUAUKRNCAKDS-SJORKVTESA-N 343.427 1.904 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3CC2)cc1F 78986499 UPLYSNGPUOEFAX-UHFFFAOYSA-N 348.399 1.714 0 40 EDAB Cc1nc(C(=O)N[C@@H](C)C(C)(C)C)nn1-c1nnc(C(F)(F)F)[nH]1 78985293 QZHBGCIAOMKRCE-LURJTMIESA-N 345.329 1.877 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCCO3)ccc21 95955427 ZMJSNHLMYHNYAU-AWEZNQCLSA-N 338.429 1.443 0 40 EDAB Cn1cc(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)cc1C(=O)O 95948453 DWBIBANDZRWNGA-UHFFFAOYSA-N 338.341 1.151 0 40 EDAB c1ccc(-c2nc3c(c(N4CCC[C@H](c5nnn[nH]5)C4)n2)CCC3)nc1 95997057 UFPCLKSJCREQPD-LBPRGKRZSA-N 348.414 1.924 0 40 EDAB O=S(=O)(NCCCOCC(F)(F)F)c1c[nH]c2ncccc12 79354712 ZRZVWJWXIAJPPM-UHFFFAOYSA-N 337.323 1.810 0 40 EDAB CC(=O)N1CCC(CNS(=O)(=O)c2ccc(Cl)s2)CC1 74860959 BGSZYPOAKGVRBJ-UHFFFAOYSA-N 336.866 1.938 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 75025381 IMXNJTIRGWYLQM-KRWDZBQOSA-N 346.427 1.396 0 40 EDAB Cc1cc(C)n(-c2ccccc2CNC(=O)[C@@H]2CN(C)CCO2)n1 89595801 GFBDPKDJZXRKAF-KRWDZBQOSA-N 328.416 1.436 0 40 EDAB COc1ccnc(N2C[C@@H]3OCC(=O)N(CC4CCCCC4)[C@@H]3C2)n1 67897363 ZPZBDZFZLIVXQH-CABCVRRESA-N 346.431 1.482 0 40 EDAB biogenic,in-vitro CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 408710211 SDZHWTDBGNTPHT-UHFFFAOYSA-N 325.368 1.610 0 40 EDAB COC(=O)c1cn(Cc2ccccc2)c(=O)c2cnc3ncnn3c12 1548338258 TUZVHBNNKVDUPX-UHFFFAOYSA-N 335.323 1.274 0 40 EDAB COc1cccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)c1 408662927 MZAVOXDDVJOFFN-YXLJTMCISA-N 330.336 1.619 0 40 EDAB c1cnc(NC[C@H]2CN(Cc3nccs3)Cc3ccnn3C2)nc1 306126685 FCBRFSLZLFDHLS-ZDUSSCGKSA-N 341.444 1.874 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc(C)c1)C2 306126444 DWCOGDSDQOUWEU-HNNXBMFYSA-N 337.441 1.661 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1cnccn1 78918213 KVMMABWCQTUEAV-INIZCTEOSA-N 326.400 1.150 0 40 EDAB COc1ccc(C(=O)C(CN2CCOCC2)CN2CCOCC2)cc1 31793320 AEFOKAXEVGFPAV-UHFFFAOYSA-N 348.443 1.159 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1 34926396 DGSOJHKMFRSUOX-QWRGUYRKSA-N 326.393 1.423 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCc1cccs1 30586219 YCTLZYMWIOGPIU-UHFFFAOYSA-N 329.381 1.110 0 40 EDAB Cn1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cn1 72327140 UWALTBMGVXMBCM-UHFFFAOYSA-N 336.443 1.900 0 40 EDAB Cn1ccnc1CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 78505367 DBGVYKJNXJBUHH-UHFFFAOYSA-N 340.305 1.485 0 40 EDAB CCOCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1F 72241625 NJXOKJTTYQKRQT-JKSUJKDBSA-N 338.379 1.267 0 40 EDAB COC(=O)c1ccc(OCCn2nc(-c3ccco3)oc2=O)cc1 48354966 NSMPNYKRHQJEEA-UHFFFAOYSA-N 330.296 1.962 0 40 EDAB NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(Br)co1 569936382 RQYPIXLLELGZBE-NMLBEHRDSA-N 327.178 1.768 0 40 EDAB O[C@@H](COCCOC12CC3CC(CC(C3)C1)C2)CN1CCOCC1 41689828 MFFRLMFKZKVURQ-GSBYPIHSSA-N 339.476 1.682 0 40 EDAB O=C(O)c1nn(-c2ccc(Br)cn2)nc1Br 89263483 GRTTXNQVVOITRI-UHFFFAOYSA-N 347.954 1.886 0 40 EDAB NC(=O)C1(CNc2ccnc(Cc3ccccc3)n2)CCOCC1 97234720 WNWKVGOEHJIXCO-UHFFFAOYSA-N 326.400 1.761 0 40 EDAB O=C(NCc1nc2ccccc2[nH]1)C1(n2cnnn2)CCCCC1 96117258 BQUYLGWMVHGETC-UHFFFAOYSA-N 325.376 1.525 0 40 EDAB O=C(Nc1cccnc1)[C@H]1CN(c2ncc(F)cn2)C[C@H]2OCC[C@H]21 96041185 IHFGCCKINXJLLZ-SOUVJXGZSA-N 343.362 1.491 0 40 EDAB N[C@H](CNS(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1 95432038 AQPVZSPWGVELQR-CYBMUJFWSA-N 325.821 1.854 0 40 EDAB COCCN1CC2(CCN(Cc3ccoc3)CC2)[C@H](COC)C1=O 96209108 KVNKEOBSUFRTMC-MRXNPFEDSA-N 336.432 1.613 0 40 EDAB CC(C)c1nnc([S@](=O)CC(=O)NCc2ccc(F)cc2)n1C 96450260 ZKHNNGTYRDPKEP-QHCPKHFHSA-N 338.408 1.502 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2C(=O)C2CCOCC2)N1Cc1ccncc1 96186412 KEGXNTGRWXZEDG-IRXDYDNUSA-N 343.427 1.600 0 40 EDAB COCCN1CC[C@H]2OCC[C@@H](C(=O)NCc3cccs3)[C@H]2C1 96043492 ZVSRHOYJAAFNNZ-BZUAXINKSA-N 338.473 1.738 0 40 EDAB COC[C@@]1(C(=O)O)CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)C1 1593963738 MLKLCUXYIVBDMB-GFCCVEGCSA-N 335.282 1.002 0 40 EDAB O=C(c1c[nH]cn1)N1CCCn2c(CN3CCCCC3)nnc2C1 96259693 NWRVFWKPTPJUPD-UHFFFAOYSA-N 329.408 1.033 0 40 EDAB COC(=O)C1(NC(=O)Cn2cc(-n3cccc3)cn2)CCCCC1 92896033 QXXYODMVRGCMLE-UHFFFAOYSA-N 330.388 1.666 0 40 EDAB O=C(c1ccncc1)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96202261 GLSQBIOZZDJWDG-LJQANCHMSA-N 338.411 1.846 0 40 EDAB NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 95432116 IDJUCLYEQQSFEO-RISCZKNCSA-N 338.408 1.417 0 40 EDAB O=C(CCc1cccnc1)N1C[C@H]2CN(Cc3ccncc3)C[C@@H]2C1 96081001 UOAQMJWQXJKMET-RTBURBONSA-N 336.439 2.000 0 40 EDAB C[C@H](c1cccnc1)N1CCN(CC(=O)Nc2cccnc2)CC1 96424325 OIYGXZFIYATROH-OAHLLOKOSA-N 325.416 1.794 0 40 EDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)NCc1cccc(F)c1 96245815 IRZZTJFSLKXILT-HUUCEWRRSA-N 335.379 1.357 0 40 EDAB Cc1occc1C(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 96057613 VWIPADPDXABRHK-NUEKZKHPSA-N 332.400 1.830 0 40 EDAB CCc1cnc(N2CC[C@H]3[C@@H](CNC(=O)N(C)C)OC[C@H]3C2)nc1 96187310 ISEYSKAVYHHLLJ-RBSFLKMASA-N 333.436 1.152 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)cn1 96065725 CAUUJRCZOSDWHS-BZSNNMDCSA-N 328.416 1.764 0 40 EDAB Cc1ccoc1C(=O)NCCCNC(=O)N[C@H](C)Cn1ccnc1 96415297 XRCKZTYXDZDGNY-CYBMUJFWSA-N 333.392 1.292 0 40 EDAB Cc1csc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCO3)C2)n1 97953382 MDTNFHPVUSEPPN-CZUORRHYSA-N 337.445 1.596 0 40 EDAB COc1ccc(C2=NO[C@@](C)(C(=O)NCCN3CCOCC3)C2)cc1 96192798 STFAHYXFNFMZOD-GOSISDBHSA-N 347.415 1.027 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N=c1nc(C2(C)CC2)[nH]s1 529705029 WKENEPZKRHQRBI-ZDUSSCGKSA-N 342.424 1.928 0 40 EDAB O=C(N[C@@H]1CN2CCOC[C@H]2[C@H]1OCc1ccccn1)c1ccoc1 247516095 VPHQQXGRENCZRL-IKGGRYGDSA-N 343.383 1.073 0 40 EDAB COc1cccc(S(=O)(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)c1 257320879 VZABONXXPLKDOQ-GFCCVEGCSA-N 349.412 1.759 0 40 EDAB C[C@@H]1C[C@@H]1N1C[C@H](Nc2ncc(C(=O)N(C)C)cc2Cl)CC1=O 608094381 FDKJOUXOIOFROI-XWIASGKRSA-N 336.823 1.858 0 40 EDAB CN(C)CC(=O)N(c1ccc(F)cc1)[C@@H]1COC2(CCNCC2)C1 257339161 ZALACKPMCIJWOI-INIZCTEOSA-N 335.423 1.631 0 40 EDAB Cc1ncsc1-c1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cn1 257305920 SSCKHCQBPADUMC-GFCCVEGCSA-N 330.413 1.851 0 40 EDAB Cn1ncc2c(O)nc(NCc3cccnc3N3CCCCC3)nc21 584906687 ZIPVKSPPDFJDIS-UHFFFAOYSA-N 339.403 2.066 0 40 EDAB COc1ccc(OCC(=O)N2CC[C@H](OC)[C@]3(CCCO3)C2)cc1 257319176 VRCQZCJRHJWZDP-WMZOPIPTSA-N 335.400 1.871 0 40 EDAB CCCN1CCN(c2ccccc2CN(C)Cc2nncn2C)CC1 585084654 FLRTZBYBCVRMHQ-UHFFFAOYSA-N 342.491 1.979 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)CCN2CCOCC2)C1 257262488 LLOZBUTYEMVTBF-OAHLLOKOSA-N 347.463 1.022 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2[C@@H]3CN[C@@H]4CCCC[C@H]2[C@]4(C)C3)n1 257264987 LWVONPSTOIPGEG-JTOWHCCKSA-N 330.432 1.073 0 40 EDAB Cc1c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)CN(C)C)cnn1C 585115034 JRUFHOLOVBKUKE-JSGCOSHPSA-N 328.482 1.469 0 40 EDAB C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1ccc(CO)cc1 585126299 VRMINOFCXRLUKG-IBGZPJMESA-N 340.379 1.524 0 40 EDAB COCCCN(C)CCNC(=O)c1cnc(O)cc1C(F)(F)F 585135357 DDTGFFAENSQPJJ-UHFFFAOYSA-N 335.326 1.504 0 40 EDAB CNS(=O)(=O)Cc1noc([C@H]2CCCN2Cc2ccccc2)n1 585120458 OKKCUEQMHQWFFE-CYBMUJFWSA-N 336.417 1.456 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(CO)(NC(C)C)CC2)cc1 585115128 NLIFUUBMTMFFCY-UHFFFAOYSA-N 326.462 1.509 0 40 EDAB O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2ccsc2)cc1 349109094 PEFLIJOLQMLGDF-UHFFFAOYSA-N 340.382 1.363 0 40 EDAB CCn1nc(C(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)cc1C 257207306 BHEBVYYYKHJOOV-INIZCTEOSA-N 343.431 1.886 0 40 EDAB Cc1cc(C(F)(F)F)nc(C2CCN([C@@H]3COC[C@H]3O)CC2)n1 257268052 MJZYBDUQJMFZTP-VXGBXAGGSA-N 331.338 1.743 0 40 EDAB O=C(NCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)c1cccs1 262394689 BSOXEJZDOFVSIL-UTUOFQBUSA-N 336.413 1.722 0 40 EDAB O=C(c1cccc(-n2cccn2)c1)N1CC(CN2C(=O)CCC2=O)C1 618255988 MBEBCIQDOARUHR-UHFFFAOYSA-N 338.367 1.093 0 40 EDAB CCN1CCN(C(=O)CCc2cccc(OC)c2)C[C@]12CCOC2 1615589944 WVTSLCYGFPKGOV-IBGZPJMESA-N 332.444 1.951 0 40 EDAB CN1C[C@@H]2C[C@H]1CN2c1ccc2c(=O)c(C(=O)O)cn(C3CC3)c2c1 390822419 VVUYWJSYRYXUEJ-KBPBESRZSA-N 339.395 1.927 0 40 EDAB Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)c2ccncc2)C1 585277348 VAJYVFIGVIXMKM-IBGZPJMESA-N 342.395 1.673 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)CN2CCCC2=O)cc1OC 42063378 BRTRZGJKHPLKSK-AWEZNQCLSA-N 332.400 1.990 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1cnccn1 66808373 UYNUGQFMSSAXDF-CYBMUJFWSA-N 347.396 1.682 0 40 EDAB O=C(CN1CCC[C@H](C(=O)N2CCOCC2)C1)NC1CCCCC1 73350647 KQCCAAZVWHFKQN-HNNXBMFYSA-N 337.464 1.006 0 40 EDAB CN(CCn1cnnc1)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 97083751 BOHIGSWAHYAWKH-UHFFFAOYSA-N 335.774 1.783 0 40 EDAB CS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 79043447 JMVMPIVJWKPGDI-NWDGAFQWSA-N 332.372 1.124 0 40 EDAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)NC(=O)NCc1ccco1 102251753 PTMQSPMAUCWKPK-RWMBFGLXSA-N 334.372 1.975 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CCO1 103106482 OGHAFPHMFPTEMW-HOTGVXAUSA-N 332.400 1.051 0 40 EDAB CCOC(=O)N1CCN(CC(=O)N[C@@H](C)c2cccs2)CC1 37191890 MODVIEQTKMTCPE-LBPRGKRZSA-N 325.434 1.699 0 40 EDAB CCn1cc(Br)c(C(=O)N[C@H]2CCC(=O)N(C)C2)n1 1615613205 UPLWLFHDIVMUID-QMMMGPOBSA-N 329.198 1.016 0 40 EDAB Cc1occc1-c1nn(CC(=O)NCCc2ccccc2)c(=O)o1 12154211 QESRGZTWHQQOCC-UHFFFAOYSA-N 327.340 1.764 0 40 EDAB COc1ccccc1CCCNC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 12191932 URFSRBVCFLQCCI-KRWDZBQOSA-N 342.399 1.671 0 40 EDAB CC(C)C[C@H](CNS(=O)(=O)c1ccccc1)N1CCOCC1 12778011 FQYDYCGDEXEDRK-OAHLLOKOSA-N 326.462 1.712 0 40 EDAB Cc1ccc(N2CC(N(C)S(=O)(=O)CCc3ccccc3)C2)nn1 1888876322 XZWSIRSHKVUVOZ-UHFFFAOYSA-N 346.456 1.478 0 40 EDAB COc1cc(OC)nc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)n1 2087136695 YATNVTBCKDXTHY-LBPRGKRZSA-N 336.436 1.967 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)C4(F)CCC4)C[C@@H]3C2=O)cs1 1565547034 DLHHNJAXCVEIGS-YPMHNXCESA-N 337.420 1.761 0 40 EDAB COc1cc(C(=O)N2CCC3(CC2)CC(NC(=O)N(C)C)C3)on1 1565545370 GSIYLQANNGVHPL-UHFFFAOYSA-N 336.392 1.339 0 40 EDAB O=C(C[C@@H](NCc1cccnc1)C(=O)O)Nc1ccc(F)cc1F 5258704 PVFCKIULEPESOD-CQSZACIVSA-N 335.310 1.931 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3cc[nH]n3)CC2)N1 2055731531 AVYSISRZKVXQQI-ZDUSSCGKSA-N 325.372 1.083 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)NCCc1cccs1 32201960 YAEVWGZEVBITSN-UHFFFAOYSA-N 328.397 1.602 0 40 EDAB CCN=c1nc(N2CCN(c3nc(C4CC4)ns3)CC2)cc(C)[nH]1 2086882992 NTFNCEPRICDWTJ-UHFFFAOYSA-N 345.476 1.694 0 40 EDAB COc1cccc2cc(C(=O)NCCCn3ncccc3=O)oc12 38517310 GXFUWMRTBRAPHG-UHFFFAOYSA-N 327.340 1.818 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2)C1 225807229 DGRWONIKZWDDAF-UKRRQHHQSA-N 343.383 1.932 0 40 EDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N(C)C1CCCC1 40477891 WAXRQJRBCJCGPO-UHFFFAOYSA-N 343.431 1.779 0 40 EDAB C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)NC(C)(C)C 40490288 YQXDMPAQISDRRX-LBPRGKRZSA-N 339.461 1.942 0 40 EDAB C[C@H](CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1 40463247 JFKGPXQWLGHYAF-CYBMUJFWSA-N 345.424 1.404 0 40 EDAB C[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 45654942 DWPFHFXZBVNJFB-UWVGGRQHSA-N 332.372 1.760 0 40 EDAB Cc1cc(N[C@H]2CCS(=O)(=O)C2)n2nc(C(F)(F)F)nc2n1 45724321 MBXRNGQMINLLFS-ZETCQYMHSA-N 335.311 1.051 0 40 EDAB O=C(Nc1ncnc2c1ncn2[C@@H]1CC[C@H](CO)O1)c1ccccc1 1612178 ZNZDAJZEPSQWJN-OLZOCXBDSA-N 339.355 1.749 0 40 EDAB CCCNC(=O)[C@H](C)N1CCC(NC(=O)c2scnc2C)CC1 51099844 FYIVSAYYUYMYIA-LBPRGKRZSA-N 338.477 1.560 0 40 EDAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 29204478 VXXXBVWREKASQP-WCQYABFASA-N 344.408 1.133 0 40 EDAB CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)Nc2nnnn21 4368753 FQLRNXINYGXQQX-AWEZNQCLSA-N 329.360 1.924 0 40 EDAB COC(=O)Nc1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)OC 4942005 XYSDHMSMVVARCL-LLVKDONJSA-N 342.373 1.191 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3CC(=O)N(CC4CC4)C3)cc12 46190164 HAXUKRMTNIMHGF-GFCCVEGCSA-N 327.388 1.474 0 40 EDAB Cc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1C 6851268 MXACOLVYGLYFDT-UHFFFAOYSA-N 346.452 1.852 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 7911277 SBZFIJORKNKDJP-UHFFFAOYSA-N 342.380 1.772 0 40 EDAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(N)=O 8944219 NODQVBRXQULMNC-UHFFFAOYSA-N 336.417 1.483 0 40 EDAB O=C(CN1CCC[C@@H](c2nc3ccccc3o2)C1)N1CCOCC1 29824780 ICQWLXDEYOMZBE-CQSZACIVSA-N 329.400 1.866 0 40 EDAB Cc1cc(CN(C)C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)no1 103107500 RXNOBMOPXPXYOK-ZIAGYGMSSA-N 333.388 1.507 0 40 EDAB CN1N=C(c2ccncc2)[C@@H](C(=O)c2ccc3c(c2)OCCO3)C1=O 103263879 SBCKCQWAMOGIJS-HNNXBMFYSA-N 337.335 1.528 0 40 EDAB C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(N)=O 22716665 LZEZZLPWOLNIGK-VIFPVBQESA-N 345.321 1.734 0 40 EDAB Cc1cccc(C)c1-n1nnc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1C 12274008 HPUKPPVOGIOGAU-ZDUSSCGKSA-N 348.428 1.109 0 40 EDAB COc1ccc(OCCN(C)C(=O)N[C@H](C)c2nncn2C)cc1 46964442 LQCYFSDPOTUDDX-GFCCVEGCSA-N 333.392 1.605 0 40 EDAB O=C1[C@@H](N[C@@H]2CCc3ncnn3C2)CCCN1c1cccc(F)c1 115542795 RRSXVGZULXAMFJ-HIFRSBDPSA-N 329.379 1.517 0 40 EDAB Cc1ccccc1N1CCN(C(=O)Cc2nc3ncccn3n2)CC1 42383097 JPSBJZWSKYJPLF-UHFFFAOYSA-N 336.399 1.324 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCc1ccc(N2CCCC2)nc1 23101447 TXDLOUDVPMYPGG-UHFFFAOYSA-N 338.411 1.728 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3cccnc3N(C)C)CC2)no1 42850556 ILWPJSAUYKESRR-UHFFFAOYSA-N 329.404 1.402 0 40 EDAB O=C(O)CCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 37417938 JFXWESONUFWPFE-UHFFFAOYSA-N 327.280 1.728 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F 1317681 MOODWPVZKBDFAL-KWBADKCTSA-N 348.346 1.636 0 40 EDAB Cc1nc(CN2CCN(c3ccc4nncn4n3)[C@@H](C)C2)oc1C 106775452 CRCOSNWPRKBBFR-NSHDSACASA-N 327.392 1.440 0 40 EDAB C[C@H](C(=O)Nc1ncccn1)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 107053856 PYYTZHRKYSFGLU-CHWSQXEVSA-N 349.435 1.745 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N2CCCCc3ccccc32)cn1C 56052857 CAEWYTSHYVFRQA-UHFFFAOYSA-N 347.440 1.916 0 40 EDAB C[C@@H]1NC(C(=O)N2CCO[C@@H]3CCC[C@@H]32)=NN(c2ccccc2)C1=O 56196760 MRNXBPOFTVAUNW-AEGPPILISA-N 342.399 1.105 0 40 EDAB COc1ccc2cc(C(=O)N3CCC(C(N)=O)CC3)c(C)nc2c1 27064858 GXQPHPHHMYOEBK-UHFFFAOYSA-N 327.384 1.889 0 40 EDAB Cc1ccc(CC(=O)N2CCN(C(=O)c3ncccc3O)CC2)cc1 171310564 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CCc1c(C)sc2nc(NCCO)n(C[C@@H]3CCCO3)c(=O)c12 69173186 CRANTJAEEJRMGQ-NSHDSACASA-N 337.445 1.912 0 40 EDAB Cc1cnn(-c2ccc(C(=O)N3CCc4nnc(N)cc4C3)cc2)c1 70010365 DZXZPCRCPGKEGP-UHFFFAOYSA-N 334.383 1.751 0 40 EDAB CCn1cc(NC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cn1 48351331 JKFBSXDYSCNIOU-CYBMUJFWSA-N 343.453 1.229 0 40 EDAB COc1ccccc1N(C)CCOc1ccc(S(N)(=O)=O)cc1 48356531 QVLVJWXGGWJEKI-UHFFFAOYSA-N 336.413 1.858 0 40 EDAB COCCN1CCCN(C(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 48427348 FHEOSMOYVYPJSE-UHFFFAOYSA-N 345.443 1.390 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)c1 12952509 WZDBNKKWMLZUSQ-UHFFFAOYSA-N 346.474 1.006 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)Cc3cccc4ccccc34)CC2)N1 12940754 AFVPBFAZKSMXET-UHFFFAOYSA-N 337.379 1.583 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1 3548134 YSYDNBJVKHLMCL-UHFFFAOYSA-N 333.365 1.886 0 40 EDAB CC[C@H]1CCCCN1C(=O)Cn1cnc2oc(C)c(C(=O)O)c2c1=O 13055965 JYKPRYVDZPBZKK-NSHDSACASA-N 347.371 1.787 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)C)cc1 13003096 OTGSWFXIMWPNMW-CQSZACIVSA-N 328.434 1.476 0 40 EDAB CCOC(=O)c1nnn(-c2nonc2N)c1CSc1ccccn1 3902855 RNTWFJKPBUONHY-UHFFFAOYSA-N 347.360 1.097 0 40 EDAB COc1ccnc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1 64248390 DFGYGIHVYHKIPM-OAHLLOKOSA-N 344.415 1.047 0 40 EDAB C[C@@H](CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 69491872 IZVQAZKMAFOHCI-AWEZNQCLSA-N 345.447 1.068 0 40 EDAB COc1ccc2c(c1)OCC(CNCC1CCN(CCO)CC1)=C2 69431729 ASLGBMKFFJSFJV-UHFFFAOYSA-N 332.444 1.765 0 40 EDAB COc1cc(NC(=O)C(=O)NCC2CC2)ccc1N1CCOC1=O 64578136 LAGDLVDUJGJLBC-UHFFFAOYSA-N 333.344 1.117 0 40 EDAB O=S(=O)(Cc1ccnc(Cl)c1)Cc1nnnn1-c1ccccc1 69559424 XROWPCVQBQSKMA-UHFFFAOYSA-N 349.803 1.826 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H]1COc3c(cccc3OC)C1)C2 69510666 ZWKXGJBYOIWSDV-ZDUSSCGKSA-N 342.399 1.443 0 40 EDAB Cc1c(C(=O)N(C)CCN2CCOCC2)cnn1-c1ccc(F)cc1 69562964 COVBLOGRKUXPFD-UHFFFAOYSA-N 346.406 1.724 0 40 EDAB Cc1ccccc1C(=O)NC1CCN(CCC(=O)N2CCC2)CC1 69667243 QZPGXDOSEAMAMV-UHFFFAOYSA-N 329.444 1.812 0 40 EDAB CCCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)O 4424475 XMKXORPXRBAWHN-LLVKDONJSA-N 329.374 1.380 0 40 EDAB CC(C)N1CCN(C(=O)NCc2ccccc2Cn2cncn2)CC1 65439780 PESJSXIZXXLPSB-UHFFFAOYSA-N 342.447 1.562 0 40 EDAB CN1CCCN(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)CC1 65429022 NNIRUXYLQXRKOP-INIZCTEOSA-N 345.422 1.996 0 40 EDAB Cc1cc2nc(N3CCN(C[C@H](C)O)CC3)c3ccccc3n2n1 65547819 RPDSSSSLXCBSED-AWEZNQCLSA-N 325.416 1.694 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(CC(C)(C)O)CC2)cc1 69661793 ABQBHZBGZIZCOV-AWEZNQCLSA-N 347.459 1.605 0 40 EDAB C[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCSCC3)C2=O)C1 69656822 CAVIQDOKZWBEDL-NSHDSACASA-N 325.434 1.063 0 40 EDAB CC(=O)NCC1CCN(C(=O)[C@H](c2ccccc2)n2cccn2)CC1 65604556 LURUPBFSHRVQEA-SFHVURJKSA-N 340.427 1.847 0 40 EDAB CC(C)c1cccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)c1 119812913 QPUDMLYERMEUJM-UHFFFAOYSA-N 336.417 1.683 0 40 EDAB C[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(C)(C)N1CCOCC1 14240720 KQARGNDUDQJYNN-AWEZNQCLSA-N 348.447 1.424 0 40 EDAB CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H](C)OCc1cccc(OC)c1 69738615 IYRJQRXMUIXPIP-QWHCGFSZSA-N 343.445 1.540 0 40 EDAB O=C(c1cc2ccccc2o1)N1CCN(C(=O)[C@H]2CCCO2)CC1 6558127 OYZWMYLDGZSZBL-OAHLLOKOSA-N 328.368 1.896 0 40 EDAB CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cn2cccn2)cc1 69744156 MMIHYNNWOFSMIV-HNNXBMFYSA-N 347.440 1.982 0 40 EDAB COc1ccc(-c2nc(CNC(=O)c3cn4cccnc4n3)n[nH]2)cc1 69777655 AOBQTDATKBJUNQ-UHFFFAOYSA-N 349.354 1.453 0 40 EDAB COCc1nc(C(=O)N2CCCN(c3ccc(C)nn3)CC2)cs1 69707540 KPCPQARNUUWRSS-UHFFFAOYSA-N 347.444 1.740 0 40 EDAB Cc1nnnn1-c1ccccc1C(=O)N1CCN(c2ccccn2)CC1 71283150 HPHQYSOINMLOMX-UHFFFAOYSA-N 349.398 1.328 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 5679838 NWFPAZFYDYYENF-MRXNPFEDSA-N 335.429 1.604 0 40 EDAB CN(C(=O)Cn1nnc2ccccc21)[C@H](C(N)=O)c1cccc(F)c1 69813801 ULGRLEZJIFPGJR-INIZCTEOSA-N 341.346 1.255 0 40 EDAB CCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1ccnn1C(C)C)CC2 69843145 BFJSUHKOCLHHNU-OLZOCXBDSA-N 345.451 1.550 0 40 EDAB O=C([C@H]1CCCCN1C(=O)c1cc(F)ccc1F)N1CCOCC1 66485114 PIXVTOMZXOAFQI-OAHLLOKOSA-N 338.354 1.818 0 40 EDAB CN1CCN(c2ncccc2CNC(=O)NCc2cccs2)CC1 66891429 KBFLEWOOEDYDBP-UHFFFAOYSA-N 345.472 1.894 0 40 EDAB OCCSC1=NN/C(=C2\C=c3ccccc3=N2)N1c1ccccc1 8727302 ROMNQPSJMOTQBL-MSUUIHNZSA-N 336.420 1.376 0 40 EDAB Cc1n[nH]c2ncc(NC(=O)[C@@H]3CCCN3C3CCOCC3)cc12 90418328 IJLHXTNNZCBULU-HNNXBMFYSA-N 329.404 1.848 0 40 EDAB CCc1cc(=O)[nH]c(-c2ccc(N(C)[C@@H]3CCN(C)C3=O)nc2)n1 80693692 LHGOFHKZDJXRQE-CYBMUJFWSA-N 327.388 1.061 0 40 EDAB CC1CCC(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1 9114723 DBZLXQLGJXLGRU-UHFFFAOYSA-N 329.400 1.775 0 40 EDAB CN1CCN2c3ccccc3CC3(C(=O)OC(C)(C)OC3=O)[C@H]2C1 71405277 ZLHFFORHYABAEU-CQSZACIVSA-N 330.384 1.186 0 40 EDAB CC(=O)N1CCN(CCNC(=O)/C=C(\C)c2ccccc2F)CC1 96258906 GELVQOYQTALNEM-BUHFOSPRSA-N 333.407 1.509 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3C[C@H](C)OC(C)(C)C3)cnc12 71831151 WZHQUOUIGIFQTP-ZDUSSCGKSA-N 329.400 1.731 0 40 EDAB O=C([C@@H]1CCOC1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 71834657 YXBJCPNWGYGHJR-GFCCVEGCSA-N 348.428 1.479 0 40 EDAB COc1ccc(NC(=O)C[C@@H]2CCCCO2)cc1-n1nnnc1C 87232881 WOYJWQJHWXJIJQ-ZDUSSCGKSA-N 331.376 1.877 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2ccnn2C(C)C)CCN1C[C@@H](C)O 72279744 NREATHHDWVZFSU-HUUCEWRRSA-N 337.468 1.180 0 40 EDAB Cc1csc([C@@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)n1 72298804 NLNDSOCLUDULHA-CYBMUJFWSA-N 332.429 1.723 0 40 EDAB COc1ccc2cc(C(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)[nH]c2c1 72269608 UCCQTPYUHKMKLQ-MSOLQXFVSA-N 343.427 1.848 0 40 EDAB c1ccc(CCn2cnc3c2CCN(c2ccc4nnnn4n2)C3)cc1 97049834 ZQXAQFRWAIQVSN-UHFFFAOYSA-N 346.398 1.521 0 40 EDAB CO[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2C)C1 84290795 KXYREZSFHVOFDV-GJZGRUSLSA-N 342.465 1.012 0 40 EDAB Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccc(C(F)(F)F)nc21 84310328 XTDMSFCRENDFHW-MRVPVSSYSA-N 329.278 1.293 0 40 EDAB C[C@@H](O)c1cn(CC(=O)N2CCC(COc3ccccc3)CC2)nn1 84667443 RRNYVMSICHTYPG-CQSZACIVSA-N 344.415 1.649 0 40 EDAB CC(C)OCCC(=O)N(C[C@@H]1CN(C)CCO1)c1nccs1 95402141 YTHNFYRQGHDVSI-ZDUSSCGKSA-N 327.450 1.622 0 40 EDAB COc1ccc(NC(=O)c2cnc(N(C)C)cn2)cc1NC(C)=O 95456797 NPSDNKNCEGATOA-UHFFFAOYSA-N 329.360 1.762 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN(CC(=O)N[C@@H](C)c3ccco3)C2)o1 95402353 ZABUAZKRHSZTOW-GJZGRUSLSA-N 346.431 1.960 0 40 EDAB C[C@@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccc(Cl)s1 95442343 RYJCJTBSZGBMQC-GHMZBOCLSA-N 332.853 1.314 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)NC[C@@H]2COCCO2)Oc2ccccc21 84779953 GGAZKRMIDCLKSB-HUUCEWRRSA-N 349.431 1.331 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)no1 76046532 HJZANHQEFJFXQB-CQSZACIVSA-N 341.371 1.885 0 40 EDAB Cc1nnc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)s1 77486928 CEBZDXINFCQXJO-UHFFFAOYSA-N 348.457 1.238 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)Nc1ccc(-n2cnnn2)cc1 95962233 FJRSOTHXQFMXPA-UHFFFAOYSA-N 340.391 1.837 0 40 EDAB CC(C)C[C@H](CO)NC(=O)NCc1ccccc1N1CCN(C)CC1 95969997 JYKWTGOIWZPXLC-QGZVFWFLSA-N 348.491 1.645 0 40 EDAB CC(C)CC(=O)NCCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C 78874967 NVHXENBLVDABHM-KGLIPLIRSA-N 325.453 1.445 0 40 EDAB CCO[C@@H](CCN(C)C)CNS(=O)(=O)c1cc(C)ccc1C 79060475 VBVAWONKFPSBQS-HNNXBMFYSA-N 328.478 1.939 0 40 EDAB COCCNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 79075554 CHJOMOGBYHMDPU-NEPJUHHUSA-N 345.440 1.693 0 40 EDAB O=C(O)[C@H]1CS[C@@H](Cc2ccc(Br)cc2)C(=O)N1 62712064 BQFYRTNWDVLDCU-ZJUUUORDSA-N 330.203 1.676 0 40 EDAB Cc1cc(CNC(=O)N2CC(O)(C3CC3)C2)cc(N2CCCC2)n1 1548834272 FFRXFQZVOCNZJO-UHFFFAOYSA-N 330.432 1.657 0 40 EDAB O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCO2 547896763 QGKBSCBWMBMJHV-UHFFFAOYSA-N 349.364 1.691 0 40 EDAB Cc1noc(C2(NC(=O)Nc3ncn(C(C)(C)C)n3)CCOCC2)n1 529059373 YDVATCPYRBRXLC-UHFFFAOYSA-N 349.395 1.552 0 40 EDAB CNc1cccc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 72368825 NXBBKWXVMZSDOA-UHFFFAOYSA-N 335.433 1.425 0 40 EDAB Cc1noc(CCCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)n1 78999997 IFRBXTRIXZHSFG-CABCVRRESA-N 348.447 1.856 0 40 EDAB CCOC(=O)CN(CC)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1 79335641 ZEUDGYVLDMTTPS-UHFFFAOYSA-N 346.380 1.222 0 40 EDAB COc1cc(CC(=O)N2CCN(c3cnn(C)c3)CC2)ccc1C 74395579 XHKRUMSBRCDRQT-UHFFFAOYSA-N 328.416 1.628 0 40 EDAB Cn1ccnc1C[C@H]1CCCN(S(=O)(=O)CC2CCOCC2)C1 122078608 ADSAUTGEHJXRBR-OAHLLOKOSA-N 341.477 1.431 0 40 EDAB Cc1nc([C@@H]2CN(Cc3cnn(C)c3)CCO2)cc(N2CCCC2)n1 72387765 CKWQDKVGQSSJJL-KRWDZBQOSA-N 342.447 1.692 0 40 EDAB COc1cccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)c1 75161851 VJAFIESLTIFZKH-UHFFFAOYSA-N 327.388 1.489 0 40 EDAB Cc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CN)C3)n2)n1 72360880 QJRZMWANPNDQKW-AWEZNQCLSA-N 340.431 1.897 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(C(C)(C)C)co2)C1 565169595 HOBHFOXLLMQLMJ-NSHDSACASA-N 343.449 1.972 0 40 EDAB CCCCn1ncc(C(=O)N2C[C@@H](CN)C3(CCOCC3)C2)c1C 566973465 YRAILXLPYVCMJM-OAHLLOKOSA-N 334.464 1.819 0 40 EDAB CCNC(=O)NC[C@H]1O[C@H](Cc2cc(C(C)(C)C)on2)CC[C@@H]1O 85435917 LBSJFFMMJHEBRR-MELADBBJSA-N 339.436 1.742 0 40 EDAB biogenic,in-vitro NC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 40512385 MBQGIBDHJVNMAS-VIFPVBQESA-N 336.335 1.682 0 40 EDAB Cc1nc(NS(=O)(=O)c2ccc(OCCn3cccn3)cc2)no1 225435445 XXJQZNSLUMOXJH-UHFFFAOYSA-N 349.372 1.454 0 40 EDAB Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@H]2CCOC2)cs1 49731427 FQYMXSLHPQXGLX-LLVKDONJSA-N 349.412 1.992 0 40 EDAB COCc1nc2c(s1)CN(S(=O)(=O)c1c(C)noc1C)CC2 41194472 SKSSHOWYPTYSMS-UHFFFAOYSA-N 343.430 1.641 0 40 EDAB NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)C[C@@H]1OCCc2ccccc21 195532465 ZYTGKKUEZCWQQL-CSAOUQSSSA-N 328.412 1.707 0 40 EDAB C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C 193877053 HXPFSAXLEJOMRS-RQJABVFESA-N 325.453 1.652 0 40 EDAB O=C(/C=C/c1ccco1)NCC(=O)N1CCN(c2ccccc2)CC1 40086475 ODBNYFVNCCTWKQ-CMDGGOBGSA-N 339.395 1.758 0 40 EDAB CCCCN1CCOC[C@@H]1C(=O)NS(=O)(=O)c1ccccc1F 194873275 OHVTYGDLLOFPHB-CYBMUJFWSA-N 344.408 1.132 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)Nc2nnc(SC)s2)c1 224435057 DSGMDQFHVSHIFF-UHFFFAOYSA-N 345.427 1.847 0 40 EDAB CS(=O)(=O)N1CC[C@@H](NCc2c[nH]nc2-c2ccccc2F)C1 572650903 CTWZLQDGBURCLV-GFCCVEGCSA-N 338.408 1.339 0 40 EDAB Cc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1 224176020 NDGHRPJPOJLYCG-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB CC(C)O[C@@]1(C(=O)N2CCN3CCOc4cccc2c43)CCOC1 333898116 SBCGPJFTOTVONI-SFHVURJKSA-N 332.400 1.816 0 40 EDAB O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)C2(C(=O)O)CCC2)C1 576043136 DFLVBPXUYKUNJK-OAHLLOKOSA-N 344.411 1.591 0 40 EDAB O=c1c2cnn(-c3ccccc3)c2nnn1Cc1nnsc1Cl 96460998 LLFJNGKUWPHEJJ-UHFFFAOYSA-N 345.775 1.530 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(Cc1ccco1)CC2 96083896 UUPNZXHZIGXFDV-UHFFFAOYSA-N 328.416 1.815 0 40 EDAB CN(C)C(=O)[C@H]1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@@H]2O1 96043161 JAICPMXWXARBJF-XKQJLSEDSA-N 332.400 1.483 0 40 EDAB C[C@@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)Cn1cccn1 97096555 BPZRLJRXJRGKBK-INIZCTEOSA-N 342.447 1.442 0 40 EDAB CCCCNC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96266080 RDBFVAFLWZKPMZ-UHFFFAOYSA-N 334.401 1.194 0 40 EDAB COC[C@@H]1CN(C(=O)c2c(C)noc2C)Cc2nnn(CC3CC3)c21 96045590 NFGDTVFMPWMUTE-ZDUSSCGKSA-N 345.403 1.679 0 40 EDAB Cc1noc([C@H]2COC[C@H]3CN(C(=O)Cc4cccc(F)c4)C[C@H]32)n1 96040733 PKITUMFTRIIJGQ-BMFZPTHFSA-N 345.374 1.948 0 40 EDAB C[C@@H](N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1)C(F)(F)F 96453777 DLKMHNQHJLLVIZ-SNVBAGLBSA-N 326.322 1.996 0 40 EDAB CCOc1ccc(Cl)cc1CCNC(=O)[C@H]1CN(C)CCO1 96485031 GKXKSFBEEKSIFR-OAHLLOKOSA-N 326.824 1.728 0 40 EDAB Cn1cccc1C(=O)N1CC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96072943 AIISEGZJWAYOAJ-SUMWQHHRSA-N 327.388 1.301 0 40 EDAB CS(=O)(=O)N1CCC[C@H](CN2CCc3c(F)cc(F)cc3C2)C1 96478514 AEAAGOCSRCOTQJ-GFCCVEGCSA-N 344.427 1.995 0 40 EDAB Cc1cccc(C(=O)N2CCn3c(Cn4cncn4)cnc3[C@@H]2C)n1 96062106 URKQLAGYBRNVLO-ZDUSSCGKSA-N 337.387 1.443 0 40 EDAB CC(=O)N1CCN(C(=O)CCN[C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 97233948 HIXNYMCLJYKCQJ-MGPUTAFESA-N 343.471 1.899 0 40 EDAB CC(C)n1nc(CN2CCOCC2)c2c1CN(c1ncccn1)C2 96084553 UZCUJUYBWMNZEA-UHFFFAOYSA-N 328.420 1.606 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CCN(C(=O)c1cnccn1)C2 96157505 OUOBYGWYIHLVTE-UHFFFAOYSA-N 340.431 1.338 0 40 EDAB c1ccc(Cn2cc3c(n2)[C@H](CNCC2CCOCC2)OCC3)nc1 96059796 XSXAAQLQNWQWBH-SFHVURJKSA-N 342.443 1.956 0 40 EDAB CCc1ccc(CN2CC[C@@H]3[C@@H](CO[C@H]3CNC(=O)N(C)C)C2)o1 96185273 XEWFXQLMBLLFIH-XYPHTWIQSA-N 335.448 1.950 0 40 EDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(N)=O 96125671 VMHAFWZWOSBHMO-UHFFFAOYSA-N 326.418 1.288 0 40 EDAB COC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1 244022661 SPXCTIIIHWZJBT-UHFFFAOYSA-N 348.380 1.390 0 40 EDAB COCCN1C[C@@H](COC)C2(CCN(Cc3ccccn3)CC2)C1 247829394 HCNWYXGZFGUJML-KRWDZBQOSA-N 333.476 1.888 0 40 EDAB COCCOc1cc(C(=O)NC[C@H]2COc3ccccc3O2)ccn1 244914818 BFJBTEKLWXOGFF-AWEZNQCLSA-N 344.367 1.677 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@]1(COC)C(=O)O 242548699 LTQODGRBUJRCGA-BZPMIXESSA-N 332.805 1.958 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1ON=C(c2ccc(F)cc2)[C@H]1C)n1cncn1 247984552 YRWTYVLKJWIIKV-FIXISWKDSA-N 331.351 1.534 0 40 EDAB CC(=O)N1[C@@H]2CN(C(=O)CN3CCCCC3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257221488 DPFQORYDUZNVEW-MJQMVNBJSA-N 333.476 1.863 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 257208872 BNWJRGAPWYXAJB-CYBMUJFWSA-N 339.355 1.581 0 40 EDAB Cc1ccc(N(C)[C@H]2COC3(CCN(CCC(N)=O)CC3)C2)cc1 257289867 QANDUSPBQVOJBF-QGZVFWFLSA-N 331.460 1.930 0 40 EDAB CCc1noc(C)c1C(=O)N(C)C[C@]1(O)CCN(c2ccccn2)C1 257337812 YUMVNHLBSTYXBA-GOSISDBHSA-N 344.415 1.654 0 40 EDAB CN(C)Cc1nccnc1C1CCN(C(=O)c2ncccn2)CC1 257304388 SLJRGYKPWAAYSE-UHFFFAOYSA-N 326.404 1.348 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CN(Cc3cccc(C)c3)CCO2)n1 257224698 FCXSPDDPXDFLOB-SFHVURJKSA-N 340.427 1.995 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)Nc1cccc(Cc2nn[nH]n2)c1 585088027 HMKIFMFUXVRNAV-UHFFFAOYSA-N 346.391 1.644 0 40 EDAB C[C@@H]1CN(Cc2ccccc2S(N)(=O)=O)c2ccccc2NC1=O 585084794 JNYXABGZOAASIR-GFCCVEGCSA-N 345.424 1.929 0 40 EDAB CO[C@H]1CCN(CC(=O)N2CCc3ccccc32)C[C@]12CCCO2 257199801 AAVRCEIJCZPSPH-PKOBYXMFSA-N 330.428 1.846 0 40 EDAB O=C(Cc1cccs1)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257258709 KVEOTRDHJQWFOC-GFCCVEGCSA-N 333.413 1.504 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N=c2cc[nH]c3cccnc23)c1C 585128571 GANQIJHCMXKPQB-UHFFFAOYSA-N 331.401 1.686 0 40 EDAB COC(=O)C1(CNC(=O)c2cccc(O)c2OC(F)(F)F)CC1 585141390 VFLNQYRALJOQGX-UHFFFAOYSA-N 333.262 1.974 0 40 EDAB O=C(NCC1(c2ccc(F)cc2)CCCC1)C1(n2cnnn2)CC1 585101392 GSOVIZXURZPYEB-UHFFFAOYSA-N 329.379 1.930 0 40 EDAB CCCCOc1ncccc1CNC(=O)C1CN(C2CCOCC2)C1 585121351 MZQFRXIXCFTMMO-UHFFFAOYSA-N 347.459 1.988 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)c3c(C)noc3C)CC[C@H]21 257258362 KTNZEYAOJPQMGQ-LSDHHAIUSA-N 349.431 1.781 0 40 EDAB Cc1cc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)ccc1F 274934025 DUNPVRRVPKOEBQ-UHFFFAOYSA-N 331.365 1.294 0 40 EDAB C[C@H](CO[C@H]1CCOC1)NC(=O)[C@@H]1Cc2cc(F)ccc2NC1=O 1616037489 BVEACNWGCGRYOG-SWHYSGLUSA-N 336.363 1.247 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2ccoc2)c(C)c1 96096813 NCBXBTKCAJCOIP-CQSZACIVSA-N 338.385 1.558 0 40 EDAB CCc1oncc1C(=O)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575403765 KFKNAPQXCZYHFV-LBPRGKRZSA-N 344.371 1.480 0 40 EDAB Cc1cc(C)n([C@H](CNC(=O)c2cccn(C)c2=O)c2ccco2)n1 575605725 RXBOMWARDZNEHF-OAHLLOKOSA-N 340.383 1.811 0 40 EDAB Cn1cc(CN2CC3(C2)OCC[C@H]3CCOc2ccccn2)cn1 585102585 AOFIUTQPWDVVFY-MRXNPFEDSA-N 328.416 1.875 0 40 EDAB Cc1nocc1C(=O)N1CC[C@H]2O[C@@H](C(=O)NC3CCCC3)CC[C@H]21 585108726 LNKXMDHRARTART-BZUAXINKSA-N 347.415 1.804 0 40 EDAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccc3)[C@H](O)[C@H]2O)c1 585262320 YODXNCRHDLLWKU-BDXSIMOUSA-N 343.379 1.367 0 40 EDAB COc1ccc(Br)cc1CNC(=O)[C@@H]1CCC(=O)N1 64511267 NHIUNCDEBQBCCN-JTQLQIEISA-N 327.178 1.353 0 40 EDAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cccn1C 66344589 JCMGEHICRQRWIG-UHFFFAOYSA-N 343.383 1.901 0 40 EDAB O=c1cc(CN2CCC[C@H]2c2noc(C3CC3)n2)[nH]c2ccnn12 101306224 XMVJHUZQUSUOJK-LBPRGKRZSA-N 326.360 1.620 0 40 EDAB CN(C(=O)c1cc(C2CC2)[nH]n1)C1CN(c2cc3c(nn2)CCC3)C1 585589998 GAYUENRJQFTXMK-UHFFFAOYSA-N 338.415 1.527 0 40 EDAB Cc1cccc(Cl)c1S(=O)(=O)NC(=O)c1cn2c(n1)CCC2 1615046722 QLVSMMQCAGSYNJ-UHFFFAOYSA-N 339.804 1.910 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)Nc1ccc(N(C)C)cn1 1615615857 SPBBPNCNYGPWLJ-SFHVURJKSA-N 326.400 1.895 0 40 EDAB CC(C)CN1CC(=O)N([C@@H]2CCN(CC(F)(F)F)C2=O)C1=S 1616036289 SMAVSHZBEWWXKK-SECBINFHSA-N 337.367 1.235 0 40 EDAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)nn1C 12147722 IFYYFDPWAUXDDG-SECBINFHSA-N 336.373 1.249 0 40 EDAB Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)nc1C 16265765 ANKVGUMESWUUDS-UHFFFAOYSA-N 329.385 1.566 0 40 EDAB CC1CCN(c2nc([C@@H](C)NC(=O)c3ccnn3C)cc(=O)[nH]2)CC1 19497019 YQNDPEUIHFIPSV-GFCCVEGCSA-N 344.419 1.231 0 40 EDAB COc1cccc(CNc2nc([C@@H]3CC(=O)N(C)C3)cc(=O)[nH]2)c1 19587516 KMLUVPOEHAVLAP-GFCCVEGCSA-N 328.372 1.336 0 40 EDAB COc1ccccc1[C@H]1CCCN1CC(=O)N1CCC(C(N)=O)CC1 19659267 OVARLEOWLNPJMV-MRXNPFEDSA-N 345.443 1.556 0 40 EDAB CN1CCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 19892121 UWRLXTRCDSTJIF-VKAVYKQESA-N 339.395 1.825 0 40 EDAB CO[C@H]1[C@H](CNC(=O)[C@@H](C)n2ccnc2C(C)C)COC[C@H]1OC 643585653 VXJWDXDMVSDRBZ-TUVASFSCSA-N 339.436 1.360 0 40 EDAB C[C@@]12CC(=O)CC(CO)(CO)[C@H]1[C@@H](O)C[C@@]13C[C@@H]4[C@H](C[C@H]12)[C@@]4(C)C3 253388457 WTOYNGQRGOLPNU-QCDRYKFJSA-N 334.456 1.760 0 40 EDAB biogenic,in-vitro Cc1nnc2ccc(N3C[C@H]4CN(C(=O)C5CCC5)C[C@@H]4C3)nn12 1888844600 MUZNXDHIVYLFNY-KBPBESRZSA-N 326.404 1.127 0 40 EDAB Cc1nnc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)s1 1888899201 HTNXTUGJCLAZBB-UHFFFAOYSA-N 330.339 1.982 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)c2ccc(CNC(N)=O)cc2)cc1 31582135 NXGCNPHEYWJLRE-INIZCTEOSA-N 343.383 1.327 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)CCN1C(=O)CSc2ccccc21 40522638 FAUZUNGHHBGRKL-CYBMUJFWSA-N 344.440 1.917 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC2(CC1)OCCO2 24995936 UPEYRXGKKOITBI-UHFFFAOYSA-N 339.413 1.378 0 40 EDAB Cc1c(C(=O)N2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)cnn1C 2037985103 XZFNWBRYQSWOMW-SFHVURJKSA-N 348.447 1.361 0 40 EDAB CN1C[C@H]2CN(C(=O)CCc3cccc(F)c3)CC[C@@H]2OCC1=O 2037985354 HBYVULOSBLYADL-HOCLYGCPSA-N 334.391 1.464 0 40 EDAB C[C@H]1CN(C[C@@H]2C[C@@H]3CCN(c4ncccn4)C[C@@H]3O2)C[C@@H](C)O1 2056225081 BCRFXBLKEDTGMX-QEOTZNIISA-N 332.448 1.570 0 40 EDAB O=C(N[C@@H]1COCc2c1cnn2C1CCOCC1)C1CC(F)(F)C1 1614939013 JRZNTEKKTTWSHH-CYBMUJFWSA-N 341.358 1.967 0 40 EDAB COC[C@@H]1CC2(CCN(C(=O)CCc3cncnc3)CC2)CN1C 1614939421 PZJSEJKYYPJCNA-INIZCTEOSA-N 332.448 1.369 0 40 EDAB c1cnc2ncnc(N3CC[C@@H](COc4ccc5nccn5n4)C3)c2c1 2087061347 CQUCPQSYMJRHSZ-CYBMUJFWSA-N 347.382 1.973 0 40 EDAB O[C@@H]1CCCC[C@@H]1N1CCN(c2cc(N3CCCC3)ncn2)CC1 2087121773 GNPLNBWIARVQIK-JKSUJKDBSA-N 331.464 1.502 0 40 EDAB CC(C)N1C[C@@H]2[C@H]3C[C@@H](CN(C(=O)C4(F)CC4)C3)[C@H]2S1(=O)=O 1565550325 YWJGNJGHOOZGCA-WUHRBBMRSA-N 330.425 1.005 0 40 EDAB COc1cc([C@@H]2C=C(C(=O)O)Nc3nc(C)nn32)cc(OC)c1OC 12408109 QOTBMFCMCOPGQZ-NSHDSACASA-N 346.343 1.596 0 40 EDAB O=C(N[C@H]1CCc2onc(CN3CCCC3)c2C1)c1cccnc1 2055734911 XXFMLFIIABNIBX-AWEZNQCLSA-N 326.400 1.953 0 40 EDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccccc2)CC1 2055704316 ILEJWJICWDQXOB-UHFFFAOYSA-N 342.443 1.637 0 40 EDAB c1coc(-c2ccc(N3CCN(c4ncnc5n[nH]cc45)CC3)nn2)c1 1775979168 ZUBGIHQUJQSCPL-UHFFFAOYSA-N 348.370 1.730 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@H]1Cn1nccn1 618254953 IFSMMIBHJACDSO-YVZNUBBCSA-N 326.356 1.711 0 40 EDAB COc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c1OCCO2 7118571 KMBHNILDGJPMCU-UHFFFAOYSA-N 344.367 1.702 0 40 EDAB CC(C)CN1C[C@H](C(=O)N2CCN(c3ccccc3F)CC2)CC1=O 34915923 WDDPNRLEMNXXKP-OAHLLOKOSA-N 347.434 1.979 0 40 EDAB C[C@@H](CNC(=O)NCc1ccc2c(c1)OCO2)N1C[C@@H](C)O[C@H](C)C1 31049779 CUDOCSMOJSCTLX-BFHYXJOUSA-N 349.431 1.712 0 40 EDAB O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1n1cnnc1 537754 MJRSPDCMDQEWRY-UHFFFAOYSA-N 349.350 1.200 0 40 EDAB C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)NC(C)(C)C 40490289 YQXDMPAQISDRRX-GFCCVEGCSA-N 339.461 1.942 0 40 EDAB CCOc1ccc(N[C@@H](C)C(=O)OC)cc1S(=O)(=O)N(C)C 40480291 GRTOEOCTHPMEIU-JTQLQIEISA-N 330.406 1.309 0 40 EDAB COc1ccc([C@H](Cc2ccccc2)NC(CO)(CO)CO)cc1 1668724 FKLFRARLPIXFRO-SFHVURJKSA-N 331.412 1.284 0 40 EDAB Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)on1 40535786 CQKWMBPREYRUEA-STQMWFEESA-N 330.388 1.922 0 40 EDAB CCOC(=O)[C@H]1CNC(=O)C12CCN(C(=O)OC(C)(C)C)CC2 91302903 WSOVAVPSJOTMGD-LLVKDONJSA-N 326.393 1.313 0 40 EDAB in-vitro COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(N)=O)c1 4061434 JGXHIHIXFGOQGH-SNRMKQJTSA-N 348.443 1.857 0 40 EDAB biogenic Cc1cc(N2CCOCC2)ccc1NC(=O)CCN1C(=O)CCC1=O 32032495 TUYOSYRYZDKJMK-UHFFFAOYSA-N 345.399 1.309 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1C(N)=O 32085764 IWGRTDKEADDDJP-UHFFFAOYSA-N 332.381 1.682 0 40 EDAB O=C(CCC(=O)OCC(=O)Nc1ccccc1)NCc1ccco1 7939722 BCXYNBQABPHQGC-UHFFFAOYSA-N 330.340 1.858 0 40 EDAB COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(CC(C)C)C2=O)cc1 2619914 ADZXQMHYFXRBCV-GOSISDBHSA-N 347.415 1.668 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1ccc(-c2ccco2)[nH]c1=O 75125224 WDVILYFHFGQTID-UHFFFAOYSA-N 349.350 1.650 0 40 EDAB CNC(=O)[C@@H](NC(=O)Nc1cc(C)nn1C)c1ccc(F)c(F)c1 75122340 QKAUYMJJFXVYFK-ZDUSSCGKSA-N 337.330 1.616 0 40 EDAB CC(C)c1nc(CC(=O)NCC2(C(N)=O)CCOCC2)cs1 52744895 HMNSNXFKBSZRGX-UHFFFAOYSA-N 325.434 1.207 0 40 EDAB CC(C)Cn1nnc(NC(=S)NC(=O)COc2ccccc2)n1 9140170 SMTLJBBQXUXXOD-UHFFFAOYSA-N 334.405 1.221 0 40 EDAB COC(=O)C1=NN[C@]2(CC(=O)N(c3c(C)cc(C)cc3C)C2=O)C1 547280 QHAPPVDDWGQWES-KRWDZBQOSA-N 329.356 1.136 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H](O)COc1ccc(F)cc1 22241627 AZMPGBBCSCZFEO-AEFFLSMTSA-N 344.386 1.478 0 40 EDAB CCN(CCNC(=O)[C@@H]1CC(=O)N(CCOC)C1)c1ccccc1C 46992479 XRRUYQMUGKIJMO-MRXNPFEDSA-N 347.459 1.432 0 40 EDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCCc1cnn(C)c1 53970418 QMABPZWOEHKQLZ-GOSISDBHSA-N 342.443 1.462 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@H]3C[C@@H]3C)CC2)cc1 23041099 XTLSMZTYHKGTNQ-HOCLYGCPSA-N 336.457 1.874 0 40 EDAB O=C(CC1CCCC1)NCC(=O)Nc1nnc(-c2ccccn2)[nH]1 69350153 UYNKVRYRPLODJM-UHFFFAOYSA-N 328.376 1.502 0 40 EDAB C[C@H](NC(=O)CN1CCO[C@H](Cn2cccn2)C1)c1cccs1 69392424 DCRGYBOUZRYYAU-KBPBESRZSA-N 334.445 1.523 0 40 EDAB O=C(NCCCO)NCc1ccc(N2CCc3ccccc3C2)nc1 42901807 SCCFVLCYNUSIAC-UHFFFAOYSA-N 340.427 1.826 0 40 EDAB Cc1ccc(OCC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1 24675274 MEFUSHWUPDTWJG-AWEZNQCLSA-N 340.445 1.304 0 40 EDAB COC(=O)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(=O)OC 24829484 YHQYRGCWKKVWTA-JOYOIKCWSA-N 343.763 1.328 0 40 EDAB NC(=O)c1cccc(OCC(=O)NC[C@@H]2Cc3ccccc3O2)c1 56359614 UXTAVWXDVGAXIG-HNNXBMFYSA-N 326.352 1.284 0 40 EDAB CCN(CC)C(=O)c1cccc(NC(=O)CN2CCO[C@@H](C)C2)c1 24045759 ILYIJTPNIGDVLJ-AWEZNQCLSA-N 333.432 1.828 0 40 EDAB Cc1noc(CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)n1 26521626 FPURUSCTTTZSNF-INIZCTEOSA-N 344.327 1.160 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(NCC(F)(F)F)s1 57773086 XERDRBKXVSYGHN-BYPYZUCNSA-N 343.356 1.449 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@H]1C(N)=O 44647096 YGXDEANCMNNGAB-JKSUJKDBSA-N 327.384 1.427 0 40 EDAB Cc1cc(C)n(-c2ccccc2NC(=O)CNC(=O)NC2CC2)n1 58097836 UGDNOEYSAADBNM-UHFFFAOYSA-N 327.388 1.889 0 40 EDAB CN(c1ccccc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 58130836 IJRDVKRWJQHBKW-UHFFFAOYSA-N 340.426 1.883 0 40 EDAB CCCCNC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 2179253 HJDWORVVJBQKAC-LBPRGKRZSA-N 328.434 1.766 0 40 EDAB NC(=O)[C@H](NCCNC(=O)Cc1cccc(F)c1)c1ccccc1 58289236 AIBRQOVVGMMLFZ-QGZVFWFLSA-N 329.375 1.301 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)c2cccc(F)c2)c1 58295068 RKRHIYIJPRLMFN-UHFFFAOYSA-N 336.388 1.805 0 40 EDAB O=c1n(CCN(C[C@H]2CCCO2)C[C@H]2CCCO2)nc2ccccn12 44949178 ADCMROMPXFGKKZ-HZPDHXFCSA-N 346.431 1.156 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)CCCn1c(=O)oc2ccccc21 44940326 PEDIKRNZVPIIGI-AWEZNQCLSA-N 347.415 1.212 0 40 EDAB CCc1ccc(C(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)s1 44911388 GJWKCSPUELHALP-ZFWWWQNUSA-N 338.473 1.778 0 40 EDAB Cc1cc2ncc(CNCCS(=O)(=O)Cc3ccccc3)cn2n1 58378055 ZSBDFLSPASEQFE-UHFFFAOYSA-N 344.440 1.742 0 40 EDAB CC[C@@H](O)CN(CC(=O)NC(=O)NCc1ccco1)c1ccccc1 58341384 SQSLSHJRTGXUIJ-OAHLLOKOSA-N 345.399 1.883 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N2CCC(N(C)C)CC2)c1 48234755 PNNCKGTZYIYNNN-UHFFFAOYSA-N 326.418 1.188 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NCc1ccnc(N2CCCC2)c1 48343635 RZPBDDIEONLGKX-CQSZACIVSA-N 328.420 1.766 0 40 EDAB CCOc1ncccc1C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 12905149 MFWODQPNBKWGFM-OAHLLOKOSA-N 341.367 1.634 0 40 EDAB COC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1cnn(C)c1C 17070472 AMEILJVNDXSCHG-LLVKDONJSA-N 334.405 1.504 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3594710 HBHAGKNBMBWSAF-YJYMSZOUSA-N 341.411 1.781 0 40 EDAB O=C(CN1C(=O)C2(CCCC2)N=C1O)Nc1ccc2c(c1)OCO2 3607238 SKIIZMWPOZVNBA-UHFFFAOYSA-N 331.328 1.423 0 40 EDAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NC2CC2)C1=O 3610621 RCFUTBSQXRYLOG-LJQANCHMSA-N 337.379 1.885 0 40 EDAB Cc1cnn(CC(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)c1 69408574 YXKUVMTYPCZMOI-KRWDZBQOSA-N 346.406 1.520 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCN([C@@H](C)c3nc(C)no3)CC2)on1 69434483 YZOQAFKTEZHFGY-RYUDHWBXSA-N 348.407 1.380 0 40 EDAB OCCN1CCC(CNCc2ccccc2N2CCOCC2)CC1 69415284 LNXJJCYZVNDBNT-UHFFFAOYSA-N 333.476 1.317 0 40 EDAB O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 8423221 LRUSVUZETSYJSR-UHFFFAOYSA-N 348.468 1.808 0 40 EDAB Cn1cc(CN2CCCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)cn1 69652637 NWQVHUNVKRYNPA-HOTGVXAUSA-N 328.416 1.851 0 40 EDAB CC(C)COC[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccco1 69658725 RJIKADGAOAZDFI-CQSZACIVSA-N 337.420 1.900 0 40 EDAB CN1N=C(C(=O)Nc2ncccc2OCc2ccncc2)CCC1=O 69741714 LOKZNEYMSUWPBI-UHFFFAOYSA-N 339.355 1.602 0 40 EDAB COCCN1CCCN(C(=O)NCc2ccc3c(c2)OCCO3)CC1 65439479 QAZMPTHERQVBIA-UHFFFAOYSA-N 349.431 1.322 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cnc3ccccc3c2)C1 65400971 SNOJJZZEWLFWAW-CYBMUJFWSA-N 348.428 1.780 0 40 EDAB NC(=O)Cn1ccc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)n1 65566337 GIIZANFREIJXKO-UHFFFAOYSA-N 341.293 1.438 0 40 EDAB C[C@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 65567551 QNMWTSYKIDSVIS-GXFFZTMASA-N 344.371 1.162 0 40 EDAB O[C@@H](COCc1ccccc1)CN1CCC[C@H](Cn2cncn2)C1 69810484 FFGWUXWWOBRFSZ-ZWKOTPCHSA-N 330.432 1.568 0 40 EDAB C[C@H](O)CN1CCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 69810310 FPHVVDQMYKMXSZ-LSDHHAIUSA-N 337.439 1.171 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCC[C@H](Cn3cncn3)C2)cc1 69870942 ZZZXQXUNSIFHDR-SFHVURJKSA-N 341.459 1.957 0 40 EDAB COC[C@H]1CCCN(C(=O)c2ccc3c(=O)[nH]c(S)nc3c2)C1 69841221 MLZHUWWTJHOXMZ-JTQLQIEISA-N 333.413 1.710 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@@H](n2cccn2)C1 65609745 SQSBYPOGDQTQSY-CQSZACIVSA-N 337.383 1.457 0 40 EDAB CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)NC(N)=O)nc21 5490649 LFDPXJMHAOYYND-QMMMGPOBSA-N 344.400 1.675 0 40 EDAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(C)nn32)cc1 4731495 VSGPZGNFDZDFTM-GFCCVEGCSA-N 328.332 1.067 0 40 EDAB CCOC(=O)c1c(NC(=O)NCCN)sc2c1CC(C)(C)OC2 6755179 XSWUQNSCSONNAV-UHFFFAOYSA-N 341.433 1.856 0 40 EDAB CN(C)C[C@@H]1CN(CC(=O)NCCc2ccc(Cl)cc2)CCO1 69948637 PBLPVMOXXGINMH-MRXNPFEDSA-N 339.867 1.261 0 40 EDAB O=C1CC[C@H](C(=O)Nc2ccc(OCCc3ccncc3)cc2)N1 66423634 IKFUBPPOTQSSGM-MRXNPFEDSA-N 325.368 1.920 0 40 EDAB O=C(CN1CCN(c2nc3cccnc3s2)CC1)NCC1CCC1 66498115 JLTWYWBZWNEZFL-UHFFFAOYSA-N 345.472 1.730 0 40 EDAB COc1cc(OC)c([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1OC 9045678 PJAFTAHSZSBPHP-JTQLQIEISA-N 345.355 1.578 0 40 EDAB CS(=O)(=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1 80135301 VYTQMGLVODMYJZ-UHFFFAOYSA-N 325.415 1.976 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)c1cccnc1SC(F)F 7284300 DBIUVSSCICZICH-UHFFFAOYSA-N 347.343 1.787 0 40 EDAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)N1CC(=O)Nc2ccccc21 15645197 NLCIFFDHKBSFCU-NSHDSACASA-N 340.335 1.923 0 40 EDAB CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H](C)CCN(C)C)cc21 71924116 HBNGEMAJULJGBN-LBPRGKRZSA-N 339.461 1.214 0 40 EDAB Cc1nc(CC(=O)N2CCCN(Cc3nccn3C)CC2)cs1 71863811 XKOZGLZLJTUAEM-UHFFFAOYSA-N 333.461 1.462 0 40 EDAB O=C(C1CCC1)N1CCN(c2ncc(Br)cn2)CC1 71847997 NKXRFFKOZRPWSU-UHFFFAOYSA-N 325.210 1.688 0 40 EDAB CCn1cnnc1CNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C 71847138 ROUHABLBIXURRS-NSHDSACASA-N 339.465 1.252 0 40 EDAB C[C@H](C(=O)NCCCn1ccccc1=O)N1CCc2ccccc2C1 71897945 WGSKRBFEVHYPDI-MRXNPFEDSA-N 339.439 1.801 0 40 EDAB C[C@H](C(=O)Nc1ncccn1)N1CCc2[nH]nc(C(F)(F)F)c2C1 71897162 GYLLDVQYSZAUHX-MRVPVSSYSA-N 340.309 1.604 0 40 EDAB Cn1c([C@H]2CCCN2C(=O)CN2CCCC2=O)nc2ccccc21 71839185 JXACJCAEVRMIGV-OAHLLOKOSA-N 326.400 1.859 0 40 EDAB COCCN1C[C@H](C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)CC1=O 71827940 AANBIWYMOKMHTJ-OIISXLGYSA-N 346.427 1.470 0 40 EDAB CC(=O)N1[C@@H](C(=O)N2CCOCC2)CS[C@H]1c1ccc(C)cc1 9846086 IFEUAAZHOPUPID-WBVHZDCISA-N 334.441 1.816 0 40 EDAB Cc1cccc(NC(=O)C(=O)NCC[S@@](=O)Cc2ccccc2)c1 72287030 FKMUXEZJYMGJRL-DEOSSOPVSA-N 344.436 1.999 0 40 EDAB O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NCCN1CCOCC1 72293082 CJWDHDIKVJYCBD-HNNXBMFYSA-N 345.365 1.328 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cc(C(N)=O)cs3)C2)n1 72235528 CQRFUTUUYODUKH-GFCCVEGCSA-N 333.417 1.533 0 40 EDAB O=C(CCOCc1ccccc1)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 72291546 BWGJVUNTHVZVQI-CYBMUJFWSA-N 344.333 1.873 0 40 EDAB O=S1(=O)CCCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 97083541 LYSDPBVKZQCTGY-UHFFFAOYSA-N 330.772 1.595 0 40 EDAB O=C1NCCN(C(=O)[C@@H]2CCCO2)[C@H]1c1ccccc1C(F)(F)F 97081672 BXHQSZAMQPOVPV-STQMWFEESA-N 342.317 1.884 0 40 EDAB C[C@](O)(CC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 97059356 IPYJGCYTBOUTCN-DOMZBBRYSA-N 344.333 1.564 0 40 EDAB CC(C)(C)OC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](N)C(=O)O 87493204 HUGSUDASASBICX-VXGBXAGGSA-N 338.360 1.035 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)C[C@@H]1N1CCOCC1 76056937 BVNMLPXPCJUPMJ-ZBFHGGJFSA-N 344.415 1.317 0 40 EDAB O[C@H](CN1CCN(Cc2cccc(Cl)c2)CC1)Cn1cccn1 84367733 ZHJDPDGDOCBYFG-QGZVFWFLSA-N 334.851 1.715 0 40 EDAB CN1CCCC[C@H]1C(=O)N1CCN(C(=O)Oc2ccccc2)CC1 95395234 KKAVKTXDJRUNNA-INIZCTEOSA-N 331.416 1.814 0 40 EDAB O=S(=O)(N1CCCC1)N1CCN(c2nc3ccccc3[nH]2)CC1 95447133 NCOOVOJJDYWSSK-UHFFFAOYSA-N 335.433 1.026 0 40 EDAB Cc1cnc(CN2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)cn1 95402296 UVBGCUGDRNZBQV-HNNXBMFYSA-N 328.420 1.752 0 40 EDAB Cc1n[nH]c(C(N)=O)c1NS(=O)(=O)c1cccc(Cl)c1C 78601477 CCZBFAWEGLKUTL-UHFFFAOYSA-N 328.781 1.580 0 40 EDAB Cc1cc(F)cc2[nH]c(C(=O)NC[C@H](O)CN3CCOCC3)cc12 95442298 GFTRGKCDKAGTNQ-ZDUSSCGKSA-N 335.379 1.038 0 40 EDAB CC[C@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@@H]1N1CCOCC1 84735955 NHJZJXYWBKUKBG-JSGCOSHPSA-N 338.839 1.621 0 40 EDAB CC1CC(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 84743954 QBILKVFDEIEYDF-UHFFFAOYSA-N 341.455 1.766 0 40 EDAB O=C([C@H]1CCCN1C(=O)C1CC1)N1CCN(c2ccccc2)CC1 73719775 RUUXPPIBJSZCOC-QGZVFWFLSA-N 327.428 1.736 0 40 EDAB Cc1cc(C(=O)NCCOCC(N)=O)c(C)cc1Br 95982681 YOHIOWPSZWIGLU-UHFFFAOYSA-N 329.194 1.298 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-n3cn[nH]c3=O)c2)c1 95941734 XBYUUUGADDHVNF-UHFFFAOYSA-N 344.396 1.978 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CC(=O)Nc2ccccc21 89364929 GLFYXKQTPZJIQE-GFCCVEGCSA-N 325.372 1.309 0 40 EDAB O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccc2c(c1)OCCO2 4223171 YZHAPWLGJMKRMX-MELADBBJSA-N 345.399 1.186 0 40 EDAB CCOCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408708755 MDPAQTWWZORAIC-UHFFFAOYSA-N 333.388 1.060 0 40 EDAB C[C@H]1CS(=O)(=O)CCN1Cc1nc(CCc2ccccc2)no1 75765474 INJFLYIFPBXNPO-ZDUSSCGKSA-N 335.429 1.474 0 40 EDAB COCCCS(=O)(=O)N1CCN(C(=O)CC2=CCCCC2)CC1 127461667 ITMIJRCKSUXTKF-UHFFFAOYSA-N 344.477 1.387 0 40 EDAB O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1cn(Cc2cccs2)nn1 516546169 VMZQCRZULPNNQP-WCQYABFASA-N 345.428 1.271 0 40 EDAB CCOC[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)ccc2C)CCO1 530150767 JVAXJIPMCZBEHE-CYBMUJFWSA-N 343.401 1.119 0 40 EDAB Cc1nccn1-c1cccc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 72379191 PFLXEXDGXBWSKW-AWEZNQCLSA-N 349.460 1.562 0 40 EDAB COCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3nncs3)n2)C1 72360031 XEQDBBZXSNVCPK-LLVKDONJSA-N 348.432 1.733 0 40 EDAB O=S1(=O)CC[C@@H](Cc2nn3c(Cc4ccccc4)nnc3s2)C1 71479645 LCFKYUOWPMJHFR-LBPRGKRZSA-N 348.453 1.754 0 40 EDAB Fc1ccc(CN2CCO[C@H](Cn3cncn3)C2)c2ncccc12 70004066 FHQNHDHMBNYASJ-AWEZNQCLSA-N 327.363 1.866 0 40 EDAB Cc1cc(C)n([C@@H](C)C(=O)N2CCCN(c3ncccn3)CC2)n1 79000185 PRUYZUKHLNFNMG-HNNXBMFYSA-N 328.420 1.590 0 40 EDAB CCc1nnc(CN2[C@@H]3C[C@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)o1 180688039 KNGLFQHYTFQOOL-HFAKWTLXSA-N 325.434 1.972 0 40 EDAB NC(=O)[C@@H]1CCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)C1 79031209 ZCLOTJTUUAQJFC-OAHLLOKOSA-N 336.395 1.596 0 40 EDAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3ncccc3C)n2)n1 40266815 XFLSVAGPWMYXLB-UHFFFAOYSA-N 338.371 1.388 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CC[C@H](N2C(=O)COC2=O)C1 225699909 KMWUQQHLIIKSKY-JTQLQIEISA-N 338.747 1.542 0 40 EDAB O=C1c2cnc(N3CCOCC3)nc2CN1CCc1ccccc1F 46088759 OBHGPNGIDCHEFV-UHFFFAOYSA-N 342.374 1.651 0 40 EDAB Cc1cc(C)n(CCCNC(=O)Cn2cc3c(n2)c(C)nn3C)n1 40714986 GAJVFAJVBLKOOM-UHFFFAOYSA-N 329.408 1.098 0 40 EDAB COCc1nn2c(=O)cc(COC(=O)c3cccs3)nc2s1 41077299 CNGNVLIKZCAVEK-UHFFFAOYSA-N 337.382 1.716 0 40 EDAB C[C@@H](NC(=O)[C@H](C)c1cc2ccccc2o1)C(=O)N1CCOCC1 96451204 IBOOESMCQWNCDY-CHWSQXEVSA-N 330.384 1.900 0 40 EDAB O=C(c1ccco1)N1CCOC[C@@]2(CCN(C3CCOCC3)C2)C1 96202050 CTNMJSPVXWQKLO-GOSISDBHSA-N 334.416 1.623 0 40 EDAB O=C(NCc1nc2ccccc2[nH]1)[C@H](c1ccccc1)n1cnnn1 95475141 XAZSVPHGJBLPOV-INIZCTEOSA-N 333.355 1.455 0 40 EDAB Cn1cc(C(=O)N2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cn1 96208560 DUXWGYQUCWHWAK-WMZOPIPTSA-N 342.399 1.658 0 40 EDAB C[C@](O)(CNS(=O)(=O)c1cncc(F)c1)c1ccc(F)cc1F 96483520 JSOYXGKLEQYPHX-AWEZNQCLSA-N 346.330 1.685 0 40 EDAB CCOCC(=O)N1CCC2(CC1)C[C@@H](OCC1CCOCC1)CO2 96205853 VYPKSZIPCAKTTG-MRXNPFEDSA-N 341.448 1.616 0 40 EDAB COCC(=O)N1CC[C@@H]2O[C@@H](COCC3CCOCC3)CC[C@@H]21 96186715 FCENKZHQTFSFKM-PMPSAXMXSA-N 327.421 1.225 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)C1CCC1)C2 96237851 JPFASQQAXMBKHR-LJQANCHMSA-N 327.428 1.736 0 40 EDAB CN(C)[C@H]1CCCN(C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)C1 96495503 PHOACNNULHLSOT-DOTOQJQBSA-N 340.489 1.324 0 40 EDAB Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(C4CCC4)C[C@H]3O2)cn1 96042814 FRHLTZDKKWGODP-IAOVAPTHSA-N 330.432 1.433 0 40 EDAB O=C(NC[C@@H](O)c1ccco1)[C@H](c1cccc(F)c1)N1CCOCC1 96436068 LJCGKFSKYBULGW-WBVHZDCISA-N 348.374 1.642 0 40 EDAB O=C(NC[C@H]1CCC[C@]2(CCN(c3ncc(F)cn3)C2)O1)C1CC1 96206692 BQSHLEZPVIPCJM-RHSMWYFYSA-N 334.395 1.660 0 40 EDAB Cc1cc(NC(=O)N2CCNC(=O)C2)nn1-c1cccc(Cl)c1 96495708 MQTXPQNFFDMQAA-UHFFFAOYSA-N 333.779 1.798 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H]2C[C@H](C)OC2=O)C1 245344132 XTBBDOKFCHAGGQ-TUAOUCFPSA-N 336.354 1.813 0 40 EDAB COc1ccc(CN2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCOCC3)C2)cc1 247916696 WJZKWRPMQCRKKG-KZNAEPCWSA-N 346.427 1.143 0 40 EDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCCN(C)C)c1 257322828 WHOQISSFYZRYML-UHFFFAOYSA-N 343.431 1.190 0 40 EDAB CC(C)CCc1noc(CN2CC[C@](O)(c3cn(C(C)C)nn3)C2)n1 583618150 GGGZCDQFJTXCFV-QGZVFWFLSA-N 348.451 1.924 0 40 EDAB COc1cccc(/C(C)=C/C(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)c1 583617781 RDUVMUSOHGTMBS-FUNAXGEOSA-N 342.399 1.727 0 40 EDAB CC(C)CCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C2CC2)n1 604382666 YAOZGIFLSKPQLA-BRSBDYLESA-N 333.476 1.890 0 40 EDAB biogenic,in-vitro Cc1cc(=O)n(CC(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)c2c(C)cccc12 257237869 HIOJFJTXXTUJEO-SPYBWZPUSA-N 344.411 1.009 0 40 EDAB CN(C)c1cnc(C[C@@H]2CCCN(C(=O)Cn3cccn3)CC2)cn1 257323162 WIYXJTNJCNDYJR-OAHLLOKOSA-N 342.447 1.611 0 40 EDAB NC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCO1 257334366 YFPHEHHYSPGMQH-QGZVFWFLSA-N 340.379 1.738 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)CC2CCCC2)C1 257217552 CZLRFUGNIHNYGI-GFCCVEGCSA-N 325.434 1.709 0 40 EDAB COc1cccc(S(=O)(=O)N2CCC[C@H](c3ccnc(O)n3)C2)c1 257320880 VZABONXXPLKDOQ-LBPRGKRZSA-N 349.412 1.759 0 40 EDAB CC(=O)N1CCC[C@H]1c1nc(C)ncc1CNC(=O)c1ccno1 257244862 INCABUVIYYJRNN-ZDUSSCGKSA-N 329.360 1.386 0 40 EDAB CCO[C@H](C)C(=O)NCCc1ccnc(NC(=O)[C@@H](C)OCC)c1 585131320 RNXATUPODASOFP-CHWSQXEVSA-N 337.420 1.529 0 40 EDAB CN[C@@H]1CO[C@@H]2CCN(C(=O)Cc3cccs3)C[C@@H]2C[C@@]1(C)O 257247142 IXRQCSSERXVIQJ-DPAVQSFQSA-N 338.473 1.267 0 40 EDAB CCOC(=O)c1ccc(NS(=O)(=O)C2(COC)CC2)c(O)c1 585119025 NCLWDWWBIMKFHB-UHFFFAOYSA-N 329.374 1.490 0 40 EDAB O=C(NCC[C@]1(O)CCCOC1)[C@H]1CCN(C(=O)c2ccccc2)C1 628009012 FFWRAKQBOKSLEY-QFBILLFUSA-N 346.427 1.197 0 40 EDAB COc1ccc2nc(C)c(C(=O)N3CCOC[C@@H]3CC(C)C)n2n1 1615621515 GHRSCFCKDZETPB-ZDUSSCGKSA-N 332.404 1.933 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N(C)[C@@]1(C)CCS(=O)(=O)C1 575421688 LECDCAIVPLHISD-AWEZNQCLSA-N 347.458 1.201 0 40 EDAB Cc1ccoc1C(=O)N1Cc2ncn(C)c2C[C@@H]1CN1CCOCC1 585094866 QVRYMMHVKKXIKM-CQSZACIVSA-N 344.415 1.221 0 40 EDAB CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(C(=O)c1cnccn1)CC2 585096369 KHHYYVJZSOYFKE-NSHDSACASA-N 328.376 1.028 0 40 EDAB CO[C@H]1CCCN(C(C)=O)[C@H]1CCC(=O)N(C)Cc1nonc1C 585281287 VLQXIUQODHEWGU-GJZGRUSLSA-N 338.408 1.143 0 40 EDAB Cc1cnccc1C(=O)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 585275826 AITZMGHQGIDKEL-LJQANCHMSA-N 344.386 1.975 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@@H]1CCC(=O)NC1)O[C@@H](C)C2 65440943 NDXLDKKCEJBFOJ-NWDGAFQWSA-N 332.400 1.551 0 40 EDAB CCc1noc([C@@H](C)N2CCN(c3ncnc4[nH]ccc34)CC2)n1 69418294 AEEHJWWACJYUCV-LLVKDONJSA-N 327.392 1.787 0 40 EDAB CN(C)C(=O)Cc1nc(CN2CCC[C@@H]2Cn2cncn2)cs1 69810530 NQWYHNWJMPXWBL-CYBMUJFWSA-N 334.449 1.030 0 40 EDAB COc1ccc(N[C@@H]2CC(=O)N(c3ccc(OC)nc3)C2=O)cc1 100862366 VBPATWCBVXGISO-CQSZACIVSA-N 327.340 1.843 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)CCCc3ccccn3)C2)n[nH]1 78901323 QMOVHGDTKOZKFE-CYBMUJFWSA-N 341.415 1.633 0 40 EDAB Cc1cc(Br)ccc1C(=O)N1CC[C@@H](S(N)(=O)=O)C1 84090005 KIIVYPAOCUFJIF-SNVBAGLBSA-N 347.234 1.261 0 40 EDAB Cc1c(Br)cccc1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1 1614695168 OKQYYMLTIFROAR-IHRRRGAJSA-N 339.233 1.893 0 40 EDAB O=C(CCN1C(=O)CCCC1=O)OC[C@@H]1CCCN2CCCC[C@@H]12 5382575 AUPZDFOUVOMPGK-GJZGRUSLSA-N 336.432 1.723 0 40 EDAB CCn1c(=O)n(CC(=O)NCc2ccccc2F)c2cccnc21 12117561 ZXYSGQYTEKENAC-UHFFFAOYSA-N 328.347 1.673 0 40 EDAB CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 12157980 FZPDGWWZFHTUKH-MELADBBJSA-N 337.445 1.738 0 40 EDAB Cc1cc(NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)on1 14776856 JRPJREQYIYAUTF-UHFFFAOYSA-N 342.399 1.816 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCN2c2ncccc21)NCc1cccs1 19346574 ILBHRNJQCDDQDR-CQSZACIVSA-N 342.424 1.775 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)[nH]1 19937480 QSYYCIIYRADQCZ-UHFFFAOYSA-N 344.390 1.417 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 34916693 JBLCDRBCYORZSA-OFQRWUPVSA-N 346.427 1.680 0 40 EDAB O=S1(=O)CCC(CN2CCC[C@@H](COc3ncccn3)C2)CC1 1775995548 OIIAJOFGLOIKHC-OAHLLOKOSA-N 339.461 1.392 0 40 EDAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1Br 26535897 QKHOZQONQUZLSK-UHFFFAOYSA-N 341.205 1.795 0 40 EDAB CC(C)CNC(=O)[C@H]1C[C@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]1O2 1565545727 LPLHDQIJSYUUGT-RWMBFGLXSA-N 330.375 1.420 0 40 EDAB Cc1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(C)C)C2)C1 1565541990 SXHLWTJOAXZHHY-LJQANCHMSA-N 332.444 1.947 0 40 EDAB COC(=O)[C@H]1[C@@H](c2cccc(OC)c2)c2c(O)n[nH]c2C[C@]1(C)O 4385894 NPXLGNAPIFIVDK-QEORTHHSSA-N 332.356 1.352 0 40 EDAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)C2CC2)C1 2055750809 ACKAOIZJAMREPG-IBGZPJMESA-N 345.443 1.632 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccc(C)o2)Cc2nnn(CC3CC3)c21 2055750647 MHEJFBUVSOHUQP-ZDUSSCGKSA-N 330.388 1.976 0 40 EDAB CC(C)c1ccc(OCCOC[C@@H](O)CN2CCN(C)CC2)cc1 35590852 CPUQHMLNANYBJR-SFHVURJKSA-N 336.476 1.814 0 40 EDAB Cc1cc2c(N3CCC(C(=O)N4CCSCC4)CC3)nccn2n1 2298192578 YCTJEGFELCLAML-UHFFFAOYSA-N 345.472 1.830 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)N2CCc3ccccc3C2)c1=O 12427760 OUENEMLVGBJPOT-UHFFFAOYSA-N 349.390 1.285 0 40 EDAB biogenic,in-vitro O=C(NC[C@H]1Cc2ccccc2O1)c1ccc(N2CCOCC2)nc1 30001867 BMZLKZGSWAGEJO-MRXNPFEDSA-N 339.395 1.652 0 40 EDAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(=O)[nH]n1 40488109 LXVMMVNMSSJEGX-UHFFFAOYSA-N 327.262 1.641 0 40 EDAB CNC(=O)[C@H]1CN(Cc2nc(CC(C)C)no2)c2ccccc2O1 40490096 TWPCNJBIPFVWLU-CQSZACIVSA-N 330.388 1.782 0 40 EDAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1-n1cnnn1 784596 FRXAKPDYFNXIRT-UHFFFAOYSA-N 329.385 1.449 0 40 EDAB C[C@@]1(C(=O)NCc2ccc(-n3cncn3)nc2)CC1(Cl)Cl 40534731 SJXNXQQVQFTJJT-LBPRGKRZSA-N 326.187 1.862 0 40 EDAB CC1CCN(c2ccc(CNC(=O)c3ccc(O)nn3)cn2)CC1 40541523 DMJMXMBZTCSTNK-UHFFFAOYSA-N 327.388 1.744 0 40 EDAB OCCN[C@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2 1667443 CMMXVKMSBWRYTM-QZTJIDSGSA-N 345.351 1.501 0 40 EDAB CC(C)N(CCCNC(=O)CCc1ccccc1)S(C)(=O)=O 40535291 AVICGBFJXUCXFY-UHFFFAOYSA-N 326.462 1.796 0 40 EDAB Cn1cc(-c2cc(C(F)(F)F)nc(-n3ccc(C(N)=O)n3)n2)cn1 2730726 CCXICUAIZMHRCC-UHFFFAOYSA-N 337.265 1.181 0 40 EDAB Cc1ccoc1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 31997467 RIOVAKJLWWMMOF-UHFFFAOYSA-N 335.385 1.130 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 101000816 DNUGGEMJARCRKS-YPMHNXCESA-N 344.327 1.078 0 40 EDAB CCNC(=S)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 4131239 CWXPLQOWQHIQOM-UHFFFAOYSA-N 333.457 1.915 0 40 EDAB COc1ccc(CNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 281493 XFCLFODMRNGYSO-UHFFFAOYSA-N 348.424 1.778 0 40 EDAB O=C(CCn1nc(-c2ccccc2)ccc1=O)NC[C@@H]1CCCO1 220196 YCLOQKBBHABXIO-HNNXBMFYSA-N 327.384 1.596 0 40 EDAB CC(C)CCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 8040842 NTBUFGQEKWTRLW-UHFFFAOYSA-N 334.388 1.893 0 40 EDAB CNC(=O)C(=O)NCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 8325266 QSJJAFIAADAGAD-CYBMUJFWSA-N 339.395 1.393 0 40 EDAB CN1C[C@H](C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)CC1=O 46321717 MJCWXXFMYALNRY-MRXNPFEDSA-N 326.400 1.368 0 40 EDAB Cc1nn(CCC(=O)NCCCN2CCOCC2)c2ccccc12 57279407 HADXHVJPJRQMMU-UHFFFAOYSA-N 330.432 1.573 0 40 EDAB CCOC(=O)[C@@H]1C(=O)CC(=O)[C@@H](C(=O)OCC)C1[C@H]1CC=CCC1 104154672 LOOXMNQJBANMLJ-IUIKQTSFSA-N 336.384 1.859 0 40 EDAB COC(=O)c1ccc(CNC(=O)NCc2ccc(OC)nc2)cc1 32889783 IVGBRRQREFMGCZ-UHFFFAOYSA-N 329.356 1.876 0 40 EDAB NC(=O)C1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1 527630 GRLGZUOSERQXSC-UHFFFAOYSA-N 337.379 1.524 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)Cc2ccco2)c1 33208826 XVJFSVIXDDDHDU-GFCCVEGCSA-N 336.413 1.857 0 40 EDAB CCN(c1ccncc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 75109566 PYUYAXGQKMIPDF-UHFFFAOYSA-N 340.426 1.700 0 40 EDAB Cc1csc(=O)n1CCC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 46954764 NJVIIPLICRCKDS-QWHCGFSZSA-N 325.478 1.845 0 40 EDAB CCn1cc(Cn2cc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cn2)cn1 2809393 TVLZJBQQYIDTMV-GJZGRUSLSA-N 345.403 1.977 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)CCc2ccc3c(c2)OCO3)C1 22693716 NDVOJIQXZWPMTB-INIZCTEOSA-N 348.443 1.821 0 40 EDAB Cc1ccc2nc(CN3CCN(CC(F)(F)F)CC3)cc(=O)n2c1 22933321 LJTRNSCJRFJSQF-UHFFFAOYSA-N 340.349 1.683 0 40 EDAB Cc1cc(CN(C)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)no1 47103258 SLDYRNUMCALCSE-CYBMUJFWSA-N 330.392 1.583 0 40 EDAB CC(=O)N1CCC(C(=O)NCc2nncn2-c2ccccc2)CC1 42495464 JWRCMQHTJBUWJI-UHFFFAOYSA-N 327.388 1.142 0 40 EDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)NC1CCCCC1 47579291 ZXIKRINSANBGTI-INIZCTEOSA-N 327.494 1.826 0 40 EDAB O=S(=O)(NCCCN1CCOCC1)c1ccc(F)cc1Cl 34782293 LIWNLTGPTLFYEL-UHFFFAOYSA-N 336.816 1.480 0 40 EDAB NC(=O)c1ccccc1OS(=O)(=O)c1cccc2nsnc12 19112113 XOZUQUKCALOBCL-UHFFFAOYSA-N 335.366 1.558 0 40 EDAB Cc1ncc(CN(C)C(=O)NC2CCN(S(C)(=O)=O)CC2)s1 56384424 IKIOBINVEZJNJH-UHFFFAOYSA-N 346.478 1.017 0 40 EDAB CC(C)(NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1)C(N)=O 57051015 CXMMPFUAMUDECH-UHFFFAOYSA-N 339.701 1.670 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccc2)cc1 10039362 IXHGCAMFFMZGSM-CQSZACIVSA-N 332.425 1.978 0 40 EDAB Cc1ccccc1OCCNC(=O)NC[C@@H]1CCS(=O)(=O)C1 57208609 NTBSQIIDFJJSRV-ZDUSSCGKSA-N 326.418 1.108 0 40 EDAB C[C@@H](NC(=O)COC(=O)c1ccn(C)c(=O)c1)[C@H]1C[C@H]2CC[C@H]1C2 108066929 CSUTXTLJIGHPAJ-UKTARXLSSA-N 332.400 1.483 0 40 EDAB COc1ccc(C(=O)N2CCN(CCn3nc(C)cc3C)CC2)cc1 62022052 KPRUAOKEWKWJNV-UHFFFAOYSA-N 342.443 1.967 0 40 EDAB Cc1nc(NC(=O)[C@H](C)N2CCN(c3ncccn3)CC2)sc1C 26898156 CBYVAMJCIXTJPN-LBPRGKRZSA-N 346.460 1.699 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)NCCN3C[C@H](C)O[C@H](C)C3)cc12 48105155 VUZINFXAUFCNEK-TXEJJXNPSA-N 346.435 1.507 0 40 EDAB O[C@H](COc1ccc2c(c1)OCO2)Cn1nnc(-c2ccccc2)n1 58210245 DLSCGQIMLBGNGF-ZDUSSCGKSA-N 340.339 1.509 0 40 EDAB O=C(NCCCNC(=O)[C@H]1COc2ccccc2O1)c1cccs1 58269138 OUTRLXLSCMRDMK-CQSZACIVSA-N 346.408 1.824 0 40 EDAB CC[C@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)N1CCCC1 44951456 IKPJUDOXSMDDSN-MRXNPFEDSA-N 347.463 1.914 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)c2cccnc2)cc1 44951421 AYCAGACFNARZEL-GFCCVEGCSA-N 348.428 1.550 0 40 EDAB CCN(CC)CCn1cc(NC(=O)[C@@H](NC(C)=O)C2CCCC2)cn1 58311265 GFJUVIMUHTYSRE-KRWDZBQOSA-N 349.479 1.858 0 40 EDAB CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H](C)Cn1ccnc1 58412684 JPAWZLZHNZHJGX-OAHLLOKOSA-N 346.479 1.755 0 40 EDAB NC(=O)NC(=O)CNc1cc(Cl)ccc1OC[C@@H]1CCCO1 58441748 LLMCWCPTMYAXON-JTQLQIEISA-N 327.768 1.505 0 40 EDAB COC(=O)c1cc(F)ccc1COC(=O)[C@@H]1CCS(=O)(=O)C1 58427937 FIOPPPQWPBCBGB-SNVBAGLBSA-N 330.333 1.090 0 40 EDAB Cc1cccc(NC(=O)[C@@H]2CSCN2S(=O)(=O)N(C)C)c1 69456081 YATMTWAQYIFFMA-LBPRGKRZSA-N 329.447 1.115 0 40 EDAB COC(=O)[C@H](C)N(C1CC1)S(=O)(=O)c1cccc2nsnc12 69597321 NXLVFEZTPVSXQF-QMMMGPOBSA-N 341.414 1.406 0 40 EDAB COC(=O)c1ccc(N2CCN(CCc3cccs3)CC2)nn1 69560643 LJWOWJQXKVNLHB-UHFFFAOYSA-N 332.429 1.689 0 40 EDAB O=C1N=C(O)C[C@H]1OC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 64219415 IIZPNZMVGXAPRG-CHWSQXEVSA-N 346.339 1.586 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)ccc1=O 69620373 OXTNWYNIVCYJRW-HNNXBMFYSA-N 330.388 1.206 0 40 EDAB CCOCCN1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 69628279 ROXPXSLESXSQRE-UHFFFAOYSA-N 330.432 1.120 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)Nc1ccc(Cl)cn1 69697280 KNVFAZVYATXLTB-LBPRGKRZSA-N 334.811 1.677 0 40 EDAB CNC(=O)Cc1ccccc1NC(=O)N[C@@H]1CCCN(C(=O)OC)C1 69696523 FYHFUEDXAQGACN-CYBMUJFWSA-N 348.403 1.327 0 40 EDAB CC(C)CN1CCN(C(=O)NCc2nncn2-c2ccccc2)CC1 65417432 FHYLJWYOIOWYFD-UHFFFAOYSA-N 342.447 1.751 0 40 EDAB Cc1cnn(C[C@@H](C)N[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 69742484 PPDGYSIVZRUHMG-MNOVXSKESA-N 335.433 1.357 0 40 EDAB CCCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20109017 MVNDICUZNWSCMQ-UHFFFAOYSA-N 340.445 1.379 0 40 EDAB O=C(c1cn(-c2ccc(F)cc2)nn1)N1CCCN2CCC[C@@H]2C1 69701617 LOALNPFNNIVOLF-OAHLLOKOSA-N 329.379 1.717 0 40 EDAB O=C(Cn1nnc2ccccc21)NCC(=O)N1CCc2ccccc21 69737587 NOOPJGAOGOLYPB-UHFFFAOYSA-N 335.367 1.137 0 40 EDAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1ccc(F)cc1 6590152 YVCGSDXNIJGJHI-UHFFFAOYSA-N 347.737 1.860 0 40 EDAB O=C(CCNC(=O)c1ccc(-n2ccnc2)nc1)Nc1cccnc1 66098729 YXTQFAXOIKGOQI-UHFFFAOYSA-N 336.355 1.421 0 40 EDAB COC(=O)CN(Cc1ccccc1C)C(=O)CCc1cnn(C)c1 66291793 SVPSEVQWBDSGCY-UHFFFAOYSA-N 329.400 1.863 0 40 EDAB Cn1cc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c2ccccc21 89749895 NIZPAWWVVUIPNJ-CYBMUJFWSA-N 349.456 1.580 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cn1C 6800554 SWOZNSKUFHFKNP-LLVKDONJSA-N 334.397 1.952 0 40 EDAB Nc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Br)c1)CC(=O)N2 8969777 ATZSWNIZHAJEHX-MRVPVSSYSA-N 335.161 1.589 0 40 EDAB COC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(N)cc(=O)[nH]2)cc1 4905190 UMQOUFCGOITHAJ-QMMMGPOBSA-N 348.384 1.258 0 40 EDAB O=C(COc1ccc(Cl)cc1)NCCCNC(=O)c1cnccn1 4985391 FDAFQUIVSXGJIX-UHFFFAOYSA-N 348.790 1.445 0 40 EDAB CCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 5906971 XYYYWGMUDPVKHU-UHFFFAOYSA-N 334.397 1.663 0 40 EDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnc(C)cn1 7688957 BTMHGJXYZZKXEL-UHFFFAOYSA-N 331.328 1.841 0 40 EDAB CSc1ncccc1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 7813527 GJGQPGDWAYAAJL-CYBMUJFWSA-N 335.429 1.267 0 40 EDAB C[C@H](C(=O)Nc1ccccc1F)N(C)CC(=O)NCc1ccco1 16340396 QFROTLUYJMCWHI-GFCCVEGCSA-N 333.363 1.994 0 40 EDAB C[C@H](N)c1ccc2c(c1)N(CC(=O)NC1CCCC1)C(=O)[C@@H](C)O2 19768836 NZHWDPPRXJKLNA-NWDGAFQWSA-N 331.416 1.879 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1nnc2ccccn12 96257573 AUPWAUAFJBZVLF-IGEMTJHASA-N 345.428 1.926 0 40 EDAB CCN(CC)CCCNC(=O)COCC(=O)Nc1ccc(C)cc1 9762948 SGVCNJVZMCQWLB-UHFFFAOYSA-N 335.448 1.798 0 40 EDAB C[C@H]1CCCN(C(=O)C[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)C1 71800145 BXIHZGYGLWBAEB-SMDDNHRTSA-N 333.363 1.899 0 40 EDAB NC(=O)CN1CCCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 71829372 KZKYZICFPLLEBN-UHFFFAOYSA-N 345.374 1.719 0 40 EDAB Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H](C)C(=O)N1CCOCC1 71854066 PHBKIESHNLCKSM-ZDUSSCGKSA-N 343.383 1.627 0 40 EDAB CN(C)[C@@H](C(=O)N1CCC[C@@H](N2CCNC2=O)C1)c1ccccc1 71841625 XZNGOPLDBVIUMO-HZPDHXFCSA-N 330.432 1.306 0 40 EDAB Cc1cnn(CC2CCN(C[C@H](O)COC[C@@H]3CCCO3)CC2)c1 71877034 JCTYYSHLVSSTFX-ROUUACIJSA-N 337.464 1.460 0 40 EDAB CCn1c(CN(C)CC(=O)N2CCOCC2)nc2cc(F)ccc21 71897222 SYRPZDSKEGJSLE-UHFFFAOYSA-N 334.395 1.486 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)c1cc(N2CCC[C@@H]2CO)ncn1 72276011 ULCFLICTJORNQE-CQSZACIVSA-N 342.399 1.803 0 40 EDAB Cc1nc(CN(C)C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cs1 72274092 UUQYJJISCIAUEF-UHFFFAOYSA-N 345.428 1.605 0 40 EDAB Cc1cc(C(=O)N2CCN(c3ccccc3F)CC2)nc(N(C)C)n1 72241195 YZRWZYXTXRSGON-UHFFFAOYSA-N 343.406 1.953 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 76045862 CPILESXISNOWIG-ZDUSSCGKSA-N 332.408 1.334 0 40 EDAB Cn1cc(Br)cc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 97079991 MIVXMSWSOAWZRK-SECBINFHSA-N 340.221 1.528 0 40 EDAB CCCCc1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)no1 76058853 CBVHWBWQPQFVHP-SJKOYZFVSA-N 349.435 1.565 0 40 EDAB CC(C)c1nc(CN(C)[C@H]2CCN(CCCS(C)(=O)=O)C2)no1 76047413 XNXKFRLJCWJNEU-ZDUSSCGKSA-N 344.481 1.134 0 40 EDAB Cc1ccc2c(c1)OCCN2Cc1cnc(N2CCN(C)CC2)nc1 97143312 AKHDZIHSOVFFBB-UHFFFAOYSA-N 339.443 1.936 0 40 EDAB CCCCc1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)no1 72300721 GTZFDZYDYJVXNG-BDJLRTHQSA-N 335.408 1.222 0 40 EDAB Cn1cc(S(=O)(=O)NCCN2CCCc3cc(F)ccc32)cn1 72561635 ADKZWUXIUGCNPD-UHFFFAOYSA-N 338.408 1.290 0 40 EDAB Cc1cccn2cc(CC(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)nc12 78789575 LRTOHVYXSAHABR-SJORKVTESA-N 342.443 1.243 0 40 EDAB C[C@@H](C(=O)N1CCCc2ccccc21)N(C)CC(=O)N1CCOCC1 72701169 SEDOUHYAABTICJ-HNNXBMFYSA-N 345.443 1.145 0 40 EDAB CC1CCN(C(=O)[C@H](C)[S@](=O)Cc2cccc(C(N)=O)c2)CC1 84697927 GGTJIIKPIDCNSV-NPMABZOXSA-N 336.457 1.681 0 40 EDAB Nc1nccnc1C(=O)Nc1nc(-c2ccccc2OC(F)F)n[nH]1 95364963 ROIRRFANRJJVNW-UHFFFAOYSA-N 347.285 1.698 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)c[nH]1 95396430 XRZBQMBFCUVTOR-UHFFFAOYSA-N 343.792 1.837 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](O)C2)c1 84773564 QZXVUVYAGPVMPT-CYBMUJFWSA-N 340.445 1.232 0 40 EDAB CC(C)NC(=O)CS(=O)(=O)c1cc2c(cc1Cl)OCCO2 67488448 KCTWPLCUFAUHGB-UHFFFAOYSA-N 333.793 1.410 0 40 EDAB CC(C)CN1CCN(C(=O)c2cnn(C)c2C(F)F)[C@H](C)C1=O 547646534 VPPOECCAUAXVDZ-SNVBAGLBSA-N 328.363 1.687 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408551853 JIBBRUHAWIAWSY-NEPJUHHUSA-N 328.434 1.585 0 40 EDAB Cn1cncc1[C@H]1C[C@@H](NC(=O)c2cccc3c[nH]nc23)CCO1 548341995 NVWCBJYYUJBNFR-SWLSCSKDSA-N 325.372 1.947 0 40 EDAB CCCS(=O)(=O)N[C@@H](CC)Cn1nc2c(cc1=O)CCCCC2 72324875 ZUWKYELJTMYTAC-AWEZNQCLSA-N 341.477 1.620 0 40 EDAB CSCC[C@H](NC(=O)c1nc(SC)ncc1Cl)C(=O)O 37431322 IYWCZTNTOZDUHB-ZETCQYMHSA-N 335.838 1.788 0 40 EDAB COCC(=O)N1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 72354340 CGBRKVYCZCHDMW-ZDUSSCGKSA-N 327.388 1.968 0 40 EDAB COCC(=O)N1CCC[C@H](c2ccnc(Nc3ncccn3)n2)C1 72377805 RABTXFHNFGNXGB-LBPRGKRZSA-N 328.376 1.363 0 40 EDAB COC[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218193710 KDGARTSPQVYESW-RWMBFGLXSA-N 348.262 1.551 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)Nc1cccc(-c2nccn2C)c1 77446060 JSUZLHOERUATFK-GFCCVEGCSA-N 325.376 1.889 0 40 EDAB C[C@H]1CN(c2ncc3c(n2)CN(Cc2cccnc2)C3=O)C[C@@H](C)O1 41122961 WXSDJFLEPQDCFZ-BETUJISGSA-N 339.399 1.641 0 40 EDAB CCCc1nc(NCCC(=O)NCCOC)c2c(n1)c(C)nn2CC 226688298 HJDAXNMYYYSCEH-UHFFFAOYSA-N 348.451 1.672 0 40 EDAB Cc1ccc(CCNC(=O)c2cc(N3CCNC(=O)C3)ccn2)cc1 191672845 JENJJUZELSZDST-UHFFFAOYSA-N 338.411 1.299 0 40 EDAB Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2nccn(C)c2=O)C1 572992183 MJEXPIIFYBTDOS-JTQLQIEISA-N 341.337 1.917 0 40 EDAB CC(=O)N1CCc2ccc(S(=O)(=O)NCc3ccno3)cc2CC1 328896364 VREAOQFFJIIZQX-UHFFFAOYSA-N 349.412 1.100 0 40 EDAB O=C(c1ccc2ccccc2n1)N1CCN(C[C@@H](O)C2CC2)CC1 85436578 LVNYCFIJLYFJLH-GOSISDBHSA-N 325.412 1.764 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)c2cccc(O)c2)C1 195556742 GNQCCUJGZRVNFF-NSHDSACASA-N 330.306 1.923 0 40 EDAB CCc1cc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c(C)nn1 527486188 JATPHZOVVYUQRV-UHFFFAOYSA-N 325.328 1.943 0 40 EDAB CC1(C)CN(C(=O)c2cncnc2N)C[C@@H](COc2ccccc2)O1 583617477 XVFQKLNGUZRXDE-AWEZNQCLSA-N 342.399 1.757 0 40 EDAB CN1C(=O)CC[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H]1c1cncn1C 583619213 VJAFTJVYLNWLAC-QMTHXVAHSA-N 335.795 1.494 0 40 EDAB Cc1cc(C(=O)N[C@@H](c2nccn2C)C2CCOCC2)nc(C)n1 583620533 PEKMQDPOHBJJFR-OAHLLOKOSA-N 329.404 1.725 0 40 EDAB Cc1cc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)no1 97238277 GNBURGFWOIOPHK-MRXNPFEDSA-N 329.400 1.870 0 40 EDAB CC(C)CN1C(=O)CO[C@H]2CN(c3cc(C(F)(F)F)ncn3)C[C@H]21 96246385 QQGIWANIBIOKFZ-MNOVXSKESA-N 344.337 1.567 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC[C@]2(CCC(=O)N2Cc2cccnc2)C1 96203201 VQIPYGJQYCJTGW-LPHOPBHVSA-N 343.427 1.744 0 40 EDAB COC[C@H]1CN(C(=O)COc2ccc(C)cc2)Cc2cn(C)nc21 96197984 KXANSQYSRBYXBU-OAHLLOKOSA-N 329.400 1.880 0 40 EDAB CCOC(=O)CNS(=O)(=O)c1ccccc1C(=O)c1ccccc1 98212092 JHDBZYRGTHBOEY-UHFFFAOYSA-N 347.392 1.759 0 40 EDAB C[C@@H](c1cccc(F)c1)N1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 96492214 ZNCQCWUUUDNEPE-BBRMVZONSA-N 348.422 1.574 0 40 EDAB CN1C(=O)c2ccc(F)cc2O[C@H]2CN(Cc3cnn(C)c3)C[C@H]21 514288688 SGNFFMVOTFAGKF-ZBFHGGJFSA-N 330.363 1.277 0 40 EDAB biogenic,in-vitro Cc1cccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)n1 96261215 PCPISZVKAVGPHW-KRWDZBQOSA-N 339.443 1.762 0 40 EDAB CN(C)CCOCc1cncc2c1CCN(C(=O)c1ccccn1)C2 96189346 XJFJGMISIKUEQY-UHFFFAOYSA-N 340.427 1.753 0 40 EDAB Cc1cc(C(=O)N2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)no1 96188453 SSSYPGPHVRMRJN-ZDUSSCGKSA-N 343.387 1.074 0 40 EDAB CC(C)(C)c1ncc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)C2)s1 96430497 JXZJJYQEJFWBQH-ORAHPGNNSA-N 328.459 1.757 0 40 EDAB COC(=O)[C@@H](NCc1ncnn1C)c1cccc(Br)c1 96487615 WZVNXTOVDAMKTG-LBPRGKRZSA-N 339.193 1.582 0 40 EDAB c1cnc(N2CCOC[C@]3(CCCN(Cc4csnn4)C3)C2)nc1 96076531 AFMZCBWQTVIIMJ-INIZCTEOSA-N 346.460 1.447 0 40 EDAB COc1ccc(Cl)c(C(=O)N2CC[C@H]3C(=O)NCCO[C@H]3C2)c1 96107083 SESBMQNADAFNFS-RISCZKNCSA-N 338.791 1.326 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccccc3Cl)C2)cn1 96410795 YVQUNTAPDANDSQ-LLVKDONJSA-N 347.806 1.407 0 40 EDAB CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2c(c1)OCO2 96186212 OFFBFCJNZMXVLA-HZPDHXFCSA-N 345.443 1.542 0 40 EDAB COc1cc(N2CCC3(CC2)C[C@@H](c2cccnc2)C(=O)N3)ncn1 96199466 NSOYTLDRKPAOJE-AWEZNQCLSA-N 339.399 1.523 0 40 EDAB O=c1ccc2c(n1Cc1ccncc1)CCN([C@@H]1CCOC1)CC2 96067800 XXNWKXYXOKSXGG-QGZVFWFLSA-N 325.412 1.481 0 40 EDAB C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccn2ccnc2c1 95450684 MEBHEAVJBIZLEL-ZDUSSCGKSA-N 347.378 1.863 0 40 EDAB O=C([C@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21)N1CCOCC1 96041155 YDBSECBYNWXTPW-HRCADAONSA-N 336.457 1.444 0 40 EDAB COCCNC(=O)c1cn2c(n1)[C@@H](C)N(Cc1cc(C)on1)CC2 247943830 VPNXUITUPYHADC-GFCCVEGCSA-N 333.392 1.133 0 40 EDAB Cc1nnc(N2CC3(CC[C@H](CNc4ncccn4)CO3)C2)s1 248044241 URFIMEPOWCQNHC-GFCCVEGCSA-N 332.433 1.734 0 40 EDAB CCOc1nccn2c(CNC(=O)/C=C\c3cccs3)nnc12 253472572 NQOREGDIAYQNTC-WAYWQWQTSA-N 329.385 1.914 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](NCCCO)[C@H]([C@H]2CCOC2)C1 585085426 NEBQZMIYVALYSM-KKUMJFAQSA-N 328.453 1.621 0 40 EDAB CC(C)CC(=O)NS(=O)(=O)[C@@H]1CS(=O)(=O)c2ccccc21 585086565 RECCBDVYCMHEAE-GFCCVEGCSA-N 331.415 1.007 0 40 EDAB Cc1ncc(-c2cccc([C@H]3CCCN(S(C)(=O)=O)C3)n2)n1C 257311268 UITAAVHHDDDCMV-ZDUSSCGKSA-N 334.445 1.930 0 40 EDAB C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(=O)O2)CCCN1C(=O)OC(C)(C)C 585128269 XMIUKQCLUKKLLR-FRRDWIJNSA-N 340.420 1.844 0 40 EDAB CC(C)(C)OC(=O)N1CC2(CCCCCN2C(=O)CC(N)=O)C1 585127788 JKUMHDRHGWTODP-UHFFFAOYSA-N 325.409 1.254 0 40 EDAB COC(=O)c1c(OCCOC(=O)c2ccc(F)cc2)nn(C)c1N 585135784 BDCMYORAEWZWQP-UHFFFAOYSA-N 337.307 1.164 0 40 EDAB NC(=O)C1CN(C(=O)c2cnn3c(-c4ccc(F)cc4)ccnc23)C1 257300619 RVCDCMXSBGFEEL-UHFFFAOYSA-N 339.330 1.093 0 40 EDAB Cc1cnc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc1 535525937 YJXWERZPUPMXLC-UHFFFAOYSA-N 340.383 1.472 0 40 EDAB CCC(=O)N1CCCC[C@@H]1c1ccnc2c(C(=O)N(C)C)cnn12 257294692 QVHLSQWJLPFCRL-CYBMUJFWSA-N 329.404 1.895 0 40 EDAB COc1ncc(CN2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)cn1 257260363 LCNVSTZMVACJDQ-QGZVFWFLSA-N 343.431 1.828 0 40 EDAB COC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(NC(=O)OC)c1C 255189908 SXHJFKRJCCIACP-UHFFFAOYSA-N 345.377 1.602 0 40 EDAB NC(=O)C1(CCCc2cnccn2)CCN(Cc2ncc[nH]2)CC1 257234076 GRYVAYMKDHGNLM-UHFFFAOYSA-N 328.420 1.290 0 40 EDAB O=C(O)C[C@@]1(NS(=O)(=O)c2cc(F)ccc2Cl)CCOC1 1601937255 LYDOGKPYGRLJBA-LBPRGKRZSA-N 337.756 1.391 0 40 EDAB O=C(CCc1cccnc1)N1CCO[C@@H](CCc2ccncn2)C1 257260079 LBGHLSPXNUEVCG-KRWDZBQOSA-N 326.400 1.664 0 40 EDAB O=S(=O)(c1ccccc1C(F)(F)F)N1CC[C@@H](n2nccn2)C1 253472052 IMONTCUGNJBVGZ-SNVBAGLBSA-N 346.334 1.933 0 40 EDAB CCOc1ccc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)cc1CO 257236541 HCPZAURBCKNQSO-GOSISDBHSA-N 336.432 1.257 0 40 EDAB C[C@H](CNC(=O)CSCC(=O)O)c1ccc(S(C)(=O)=O)cc1 600878006 NGPAEKQUBKFGAW-SNVBAGLBSA-N 345.442 1.128 0 40 EDAB O=S1(=O)CCC[C@H](NS(=O)(=O)[C@H]2C[C@H]2c2ccccc2)C1 1614994079 AALMMXGSANHGDF-IHRRRGAJSA-N 329.443 1.039 0 40 EDAB CN(C)[C@H]1CC[C@@H](NC(=O)N2CCn3c(nnc3C(C)(C)C)C2)C1 1615552520 ZFCAGXWWQVCYGE-OLZOCXBDSA-N 334.468 1.584 0 40 EDAB O=C1C[C@H](NC(=O)N=c2nc(SCc3ccccc3)[nH]s2)CN1 390835140 DNYDIBCGBHTYHJ-JTQLQIEISA-N 349.441 1.262 0 40 EDAB COc1nc(CNC(=O)[C@@H](C)Oc2ccccc2F)nc(N(C)C)n1 575603959 MQBRXLWYNQCPTH-SNVBAGLBSA-N 349.366 1.169 0 40 EDAB COC(=O)c1ccc(CS(=O)(=O)Nc2n[nH]c(C(F)F)n2)cc1 585141626 WFBONESUPPFXDP-UHFFFAOYSA-N 346.315 1.471 0 40 EDAB O=C(c1ccncc1)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585269546 YNXHOJXMUOAZFB-SFHVURJKSA-N 330.359 1.667 0 40 EDAB CCOCC(=O)N1C[C@@H](O)[C@@]2(C[C@H](c3cccc(OC)c3)CO2)C1 585288372 XXGJRSXAGDWXHG-YXJHDRRASA-N 335.400 1.178 0 40 EDAB CN(C)c1cc(N2CCN(Cc3cn4ccccc4n3)CC2)ncn1 1336674346 XHJNZOXTXYSMBQ-UHFFFAOYSA-N 337.431 1.513 0 40 EDAB COc1ccc(OC)c(N2C[C@@H](C(=O)N3CCOC[C@@H]3C)CC2=O)c1 44912225 USSXDLXXAIOUNB-STQMWFEESA-N 348.399 1.304 0 40 EDAB CCn1cnnc1CNS(=O)(=O)c1ccccc1Br 48667428 WCJJNXMJYHOFEP-UHFFFAOYSA-N 345.222 1.539 0 40 EDAB Cc1occc1COC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 73535515 PPDDDKISYATOJG-OAHLLOKOSA-N 327.340 1.751 0 40 EDAB CCc1ccccc1CC(=O)N1CCC[C@@H](c2nnc(CO)n2C)C1 1615613745 CEWRXYDCERBVOI-MRXNPFEDSA-N 342.443 1.819 0 40 EDAB Cc1cc(C)nc(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)c1 1616037459 IFACOKMLMUXGKJ-UHFFFAOYSA-N 341.415 1.901 0 40 EDAB CN1C(=O)N/C(=C/c2ccc(O)c(I)c2)C1=O 8091570 PJQAAULAFPCMAM-VMPITWQZSA-N 344.108 1.519 0 40 EDAB C[C@H]1CN(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)C[C@@H](C)O1 12146756 PXCYULNFGWMMLS-PHIMTYICSA-N 348.428 1.190 0 40 EDAB COc1ccc([C@H](C)CCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 152104074 UTMJSTUEQTUMME-UKRRQHHQSA-N 346.431 1.608 0 40 EDAB COCC(=O)N1CCCc2ccc(NC(=O)NC[C@@H]3CCCO3)cc21 225550507 BZYXYPXVZAJFGA-HNNXBMFYSA-N 347.415 1.913 0 40 EDAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)NC(C)C)CCC3)n1 9520891 RRTKGRIBOYDZCN-UHFFFAOYSA-N 329.404 1.059 0 40 EDAB Cc1cc(O[C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)nc(C)n1 585147373 KGVDGJNDJHLKLY-CQSZACIVSA-N 330.388 1.921 0 40 EDAB C[C@@H](OC(=O)c1ccc(OCC(N)=O)cc1)C(=O)c1ccccc1 11574753 BVHHGLPMKWXFTJ-GFCCVEGCSA-N 327.336 1.979 0 40 EDAB COc1ccc(C(C)(C)C(=O)N2CCN(C(C)C)[C@@H](C(N)=O)C2)cc1 1848356677 BZACGERYCDMKQW-MRXNPFEDSA-N 347.459 1.379 0 40 EDAB CC(C)c1nn(CN(C)[C@H]2CCS(=O)(=O)C2)c(=S)n1C1CC1 27170116 HPCGOBMBBKJKGB-LBPRGKRZSA-N 344.506 1.949 0 40 EDAB O=C(NCC(=O)N1CCC2(CC1)OCCO2)c1cccc(Cl)c1 31180674 QCLMFPCMDSRZSZ-UHFFFAOYSA-N 338.791 1.435 0 40 EDAB COCCCN1CC[C@@H]2CN(C(=O)C3=CC=NC(=O)C3)C[C@@H]2CC1 2056223970 JRMPVSDQXNFJDW-IYBDPMFKSA-N 333.432 1.121 0 40 EDAB CC(C)N1CCO[C@H]2CN(C(=O)c3ncc(Cl)cn3)CC[C@H]2C1 1565546163 WICZVZYAJVEPEB-JSGCOSHPSA-N 338.839 1.701 0 40 EDAB O=C(NC1CC2(CCN(C(=O)CC3(O)CCC3)C2)C1)c1ccncc1 1565545011 WPPTWNPFJFFHBA-UHFFFAOYSA-N 343.427 1.498 0 40 EDAB O=C(NCCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 4491564 BWEIWLIAMRKMTG-UHFFFAOYSA-N 329.381 1.155 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccccc1OC 4570656 DVKIMKSMQJFPKM-ZDUSSCGKSA-N 343.335 1.824 0 40 EDAB Cc1ccc(C)c(NC(=O)CSc2ncc(CO)n2CC(N)=O)c1 17026305 RLRLBTJNKXVIIV-UHFFFAOYSA-N 348.428 1.208 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)c2ccsc2)CC1 2055747095 HBKKGCSFXQJTJL-UHFFFAOYSA-N 347.444 1.315 0 40 EDAB CSCC[C@H](O)CNS(=O)(=O)c1cccc2nsnc12 1775967379 OWLRZDWLCSGULY-QMMMGPOBSA-N 333.460 1.084 0 40 EDAB O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC[C@@H]1CCCO1 23230924 FMSCGGFZNCQCNX-AWEZNQCLSA-N 347.802 1.859 0 40 EDAB O=C1CC[C@@H](N2Cc3c(Br)ccc(F)c3C2=O)C(=O)N1 1988184985 CTDLBQHVRCGINQ-SECBINFHSA-N 341.136 1.349 0 40 EDAB Cc1nc2ccccn2c1C(=O)N1CCN(CC(F)(F)F)CC1 44448758 MPRDZZYCLSRBFT-UHFFFAOYSA-N 326.322 1.963 0 40 EDAB CN(C)c1nccc(CNC(=O)c2ccc(Br)o2)n1 206728717 JDGONVQWDAMIET-UHFFFAOYSA-N 325.166 1.828 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1 20030427 UYYHZFCBPYDGCX-ZETCQYMHSA-N 343.792 1.065 0 40 EDAB CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSC(C)=O 20167570 MTPSGNOAJYFAKV-UHFFFAOYSA-N 328.390 1.789 0 40 EDAB CN(CCOc1ccccc1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 40496221 SJZRSRRYFMMMLZ-AWEZNQCLSA-N 340.445 1.195 0 40 EDAB COC(=O)c1cn(CC(=O)Nc2nc3c(C)cccc3s2)nn1 81118356 OFRLEGOSOUBBRT-UHFFFAOYSA-N 331.357 1.622 0 40 EDAB Cc1ccc(Cn2cccc/c2=N\C(=O)[C@@H]2CCS(=O)(=O)C2)cc1 40466599 OJYBYVSGWWHKQM-GWOGKKTRSA-N 344.436 1.707 0 40 EDAB O=C(NCc1ccccc1)C1CCN(C(=O)C2CCOCC2)CC1 40464834 PMKSIEFYTWYRFP-UHFFFAOYSA-N 330.428 1.968 0 40 EDAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 40528482 SHHZIRHENIRSTF-SECBINFHSA-N 347.820 1.551 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(S(N)(=O)=O)cc1 40512956 RRFWOIZPZZPBDR-TXEJJXNPSA-N 326.418 1.502 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)N(C)Cc2ccncc2)C1=O 40512849 DXQLJVJTRPYVDC-ZDUSSCGKSA-N 325.368 1.854 0 40 EDAB NC(=O)C1CCN(CC(=O)NC[C@@H]2CCCc3ccccc32)CC1 51185896 PLBBGRAZUCLKOX-INIZCTEOSA-N 329.444 1.420 0 40 EDAB CCOc1ccccc1NC(=O)C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O 4503988 XHQDEPANIZFUCC-KCQAQPDRSA-N 331.416 1.813 0 40 EDAB O=C(C1=COCCO1)N1CCN(c2nc3ccc(F)cc3s2)CC1 4583463 LGFJZHOSKPJOQW-UHFFFAOYSA-N 349.387 1.972 0 40 EDAB O=C1C[C@H](Cc2ccc(C(=O)NCc3ccsc3)cc2)C(=O)N1 101333336 CYFAYGONYQKECE-AWEZNQCLSA-N 328.393 1.883 0 40 EDAB Cc1ccc([C@H]2C[C@H]2C(=O)NCCN2CCS(=O)(=O)CC2)s1 101642705 UIXAZIRQWVIJPG-QWHCGFSZSA-N 342.486 1.007 0 40 EDAB CC(C)Nc1nc(NC(C)C)nc(N(C#N)[C@@H](C)C(=O)N(C)C)n1 366111 JKVLJNLOJVJRFM-NSHDSACASA-N 334.428 1.276 0 40 EDAB CC1=C(C(=O)N2CCN(C)CC2)[C@@H](c2cccs2)n2ncnc2N1 54672263 UNDSSKLSZPZPBP-CQSZACIVSA-N 344.444 1.403 0 40 EDAB CN(C)C(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 8644926 HOHFORYQJJKGMU-SFHVURJKSA-N 325.368 1.695 0 40 EDAB CNC(=O)[C@H]1CCC[C@]12CCN(S(=O)(=O)c1ccccc1C)C2 108528688 MYBAOIWAUMQAFT-RHSMWYFYSA-N 336.457 1.922 0 40 EDAB NC(=O)c1cccc(CNC(=O)N2CCN(c3cccs3)CC2)c1 89774454 SRFHYIHACAHMLK-UHFFFAOYSA-N 344.440 1.879 0 40 EDAB O=C(CNC(=O)c1ccccc1)OCc1nc(-c2cccnc2)no1 21310861 TXJWCALPKOZOPN-UHFFFAOYSA-N 338.323 1.605 0 40 EDAB O=C(NCCc1nc2ccccc2[nH]1)N1CC[C@@](O)(C(F)(F)F)C1 81478476 PHSAAXDYCNSTPL-AWEZNQCLSA-N 342.321 1.814 0 40 EDAB O=C(CSCC(=O)Nc1ccc(F)cc1)NC1=NCCS1 9614082 BTLQWHCZRLQIAG-UHFFFAOYSA-N 327.406 1.716 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102605041 OPCRUYWZCROQEC-YOPIWALVSA-N 342.395 1.825 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(Cc2ccco2)C1 28649489 TZZDJEITLKQODZ-CYBMUJFWSA-N 342.351 1.673 0 40 EDAB Cc1nn(CC(=O)NCCCN2CCCC2=O)cc1Br 2781965 VCZIADOYGLOKBQ-UHFFFAOYSA-N 343.225 1.083 0 40 EDAB Cc1ccccc1S(=O)(=O)N1CC[C@@]2(C[C@@H](n3ccnc3)CO2)C1 107226676 IALOJYFQXSJLHM-NVXWUHKLSA-N 347.440 1.986 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 8156123 MOJKHLZGZIXNJK-KRWDZBQOSA-N 333.363 1.205 0 40 EDAB NC(=O)[C@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2Cl)C1 8172669 VWNPLKSPQLWCJS-NSHDSACASA-N 344.242 1.807 0 40 EDAB CS(=O)(=O)N1CCO[C@H]2CCN(Cc3ccccc3F)C[C@@H]21 108535183 GEVSSTUWRSNVLJ-GJZGRUSLSA-N 328.409 1.060 0 40 EDAB Cc1cc(C)n(Cc2cccc(CNC(=O)[C@@H](C)S(C)(=O)=O)c2)n1 54031857 XPACVEWMSWYOGL-CQSZACIVSA-N 349.456 1.598 0 40 EDAB Cc1cccc(/C=C/C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 23930482 FRTHMRYINVLOBQ-VMPITWQZSA-N 327.428 1.431 0 40 EDAB O=C(NCCn1ccnc1)NC[C@H]1CN(Cc2ccccc2)CCO1 43142669 JHBBTAJPODRNEI-KRWDZBQOSA-N 343.431 1.083 0 40 EDAB C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 106033908 WHPXDOIIMKPSRD-IJLUTSLNSA-N 341.433 1.214 0 40 EDAB COCCN1CCN([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@@H]1C 106776653 ANWVXPLSKPSRSF-SWLSCSKDSA-N 337.468 1.016 0 40 EDAB Cc1ccc(SCC(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 106872988 VAJVZQDRTMYAAN-YXAMBPQSSA-N 342.420 1.925 0 40 EDAB O=C(O)[C@@H](Cc1ccccc1)NC1=NS(=O)(=O)c2ccccc21 3290411 AMRKHPQZDARWPZ-CYBMUJFWSA-N 330.365 1.421 0 40 EDAB CCOc1ccc([C@H](C)NC(=O)Cn2cccnc2=O)cc1OC 25867810 ZCQWMDFFSPJYJM-LBPRGKRZSA-N 331.372 1.528 0 40 EDAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@@H]1CC(=O)N(CC2CC2)C1 56954513 VVAAFDGPGDBZSF-HIFRSBDPSA-N 332.404 1.259 0 40 EDAB CCCOC(=O)Cn1cnc2sc(C(=O)OCC)c(C)c2c1=O 1778405 MFCRCRWVHOLMAH-UHFFFAOYSA-N 338.385 1.896 0 40 EDAB COCC(=O)N1CCN(C(=O)NCc2c(C)cc(C)cc2C)CC1 69105304 AGTLICQAJDXGCW-UHFFFAOYSA-N 333.432 1.612 0 40 EDAB CCOCCCNC(=O)CN1CCN(c2ccc(C(C)=O)cc2)CC1 58161141 OGVBEZCDJWAOSZ-UHFFFAOYSA-N 347.459 1.554 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCc3nc(C)cs3)CC2)on1 44895270 CZCFZTWSRNXVKS-UHFFFAOYSA-N 335.433 1.775 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)CCO1 44895842 HAFNODSVJJRPJH-SECBINFHSA-N 325.308 1.995 0 40 EDAB COc1ccccc1COC[C@H](O)Cn1nnc(-c2ccccc2)n1 58209923 SNHJEZSNCYNQGK-MRXNPFEDSA-N 340.383 1.926 0 40 EDAB O[C@@H](COc1ccc2c(c1)OCO2)Cn1nnc(-c2ccccc2)n1 58210246 DLSCGQIMLBGNGF-CYBMUJFWSA-N 340.339 1.509 0 40 EDAB COc1ccc(OC)c(-c2cc(C(=O)NCCNC(C)=O)no2)c1 58246694 NLPOWVPTILUPBU-UHFFFAOYSA-N 333.344 1.225 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(C)nc2)c1 44970118 DHLYZUGUQQCXMI-UHFFFAOYSA-N 348.428 1.298 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)C1 27970260 GDCLBHDJNJCEDF-AWEZNQCLSA-N 338.477 1.748 0 40 EDAB C[C@H](O)CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 36264065 RDZQUWVFBJWXGX-NSHDSACASA-N 348.472 1.805 0 40 EDAB CN(CC(=O)N1CCNC1=O)Cc1ccccc1Br 12788772 XPEXPWDVIIRFTH-UHFFFAOYSA-N 326.194 1.433 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)NCc3ccoc3)cn2)CC1 48265094 HLQLYHSOYORZBL-UHFFFAOYSA-N 343.431 1.816 0 40 EDAB CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1 70036754 SXEABNMDBWJUSN-MRXNPFEDSA-N 346.452 1.923 0 40 EDAB O=C(CCc1nccs1)N1CCN(C[C@H](O)c2ccccc2)CC1 70003949 AFEKBSDAWCPIEY-INIZCTEOSA-N 345.468 1.954 0 40 EDAB O=C(NCCN1CCCC1)C1=NN(Cc2ccccc2)C(=O)CC1 48333421 OGIGNOLEOTWAOH-UHFFFAOYSA-N 328.416 1.377 0 40 EDAB C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(Cl)cc1 12820197 JUYMHXOJJYPDJH-SMDDNHRTSA-N 344.864 1.464 0 40 EDAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1cnccn1 12976385 VPZSZRPRBVOYJZ-ZDUSSCGKSA-N 343.387 1.320 0 40 EDAB Nc1nccnc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 12926697 KWONHPYKYKLVFP-AWEZNQCLSA-N 345.378 1.001 0 40 EDAB O=C1CN(C(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CCN1 12919547 MDXLKFRHPKXTKI-SFHVURJKSA-N 348.406 1.952 0 40 EDAB CCN1C[C@H](CN(C)C[C@H](O)Cn2cccn2)Oc2ccccc21 69347562 MZZXLUIYSIURKB-HOTGVXAUSA-N 330.432 1.463 0 40 EDAB O=C(O)[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)c2ccccc2O1 13435045 FMRBJMDQVZEFCK-OAHLLOKOSA-N 327.292 1.908 0 40 EDAB CCN(CCNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)C1CC1 69590759 VIXLQHMFBRSWNZ-UHFFFAOYSA-N 339.461 1.581 0 40 EDAB CCOc1ccc(NC(=S)N2CCN(S(C)(=O)=O)CC2)cc1 13841154 AAHJAOBSVHQJDF-UHFFFAOYSA-N 343.474 1.359 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1C(=O)NCCO 69659760 COTXYNQZNLSTFF-ZFWWWQNUSA-N 333.432 1.516 0 40 EDAB COc1ccc(NC(=O)c2ccc[nH]2)c(N2CCN(C(C)=O)CC2)n1 69616877 BTXSJBMTCLZAGY-UHFFFAOYSA-N 343.387 1.339 0 40 EDAB Cc1cc(OCC(=O)NCCCO)c2c3c(c(=O)oc2c1)CCCC3 5272212 YUVVXOCGWDTZBN-UHFFFAOYSA-N 345.395 1.858 0 40 EDAB COc1ccccc1COC[C@@H](O)CN1CCN(CC(C)C)CC1 65550826 BGYSAUFQXKFWIC-SFHVURJKSA-N 336.476 1.846 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)n1 65514769 OPYWTNDXPYRGMY-HOTGVXAUSA-N 338.411 1.938 0 40 EDAB O[C@H](COCc1ccccc1F)CN1CCCC[C@@H]1Cn1cncn1 69741456 XYUNYZDWOLKFBI-SJORKVTESA-N 348.422 1.849 0 40 EDAB CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCc2ccc(C)cc2C)C1 69780333 SKSIAPWVKCQXJV-MRXNPFEDSA-N 338.473 1.776 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2F)C1 69706516 WYRXMZJVELQFTG-LLVKDONJSA-N 341.358 1.130 0 40 EDAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 4505427 ABJOKFJGORQQAF-ZDUSSCGKSA-N 345.486 1.792 0 40 EDAB CCC(=O)N1CCN(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1 65611927 XNUZVSAGCJQHIH-LSDHHAIUSA-N 325.453 1.846 0 40 EDAB COc1ccc(COC[C@@H](O)CN2C(=O)CC3(CCCC3)C2=O)cc1 14235891 LMWKZCAEZLQACC-HNNXBMFYSA-N 347.411 1.892 0 40 EDAB Nc1nc(N)nc(CSc2nc(C3CC3)n(-c3ccccc3)n2)n1 7114009 AGPVPVBVFYRGGV-UHFFFAOYSA-N 340.416 1.786 0 40 EDAB O=c1c2ccsc2ncn1CCS(=O)(=O)N1CCCCC1 8922298 HNIMWZNEHMMCRM-UHFFFAOYSA-N 327.431 1.274 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)c3cn4c(C)cccc4n3)CCO2)n1 83830045 VYNKZUMZWYUKQU-CYBMUJFWSA-N 340.387 1.537 0 40 EDAB Cc1nc2cc(C(=O)N3CCS(=O)(=O)[C@H](C)[C@@H]3C)ccc2n1C 89721602 DLGBLFONRNOOEV-WDEREUQCSA-N 335.429 1.529 0 40 EDAB C[C@H](C[S@](C)=O)NC(=O)[C@@H](c1ccccc1F)N1CCOCC1 96010904 CMDIRBJYYYIFIJ-NIRJSFQDSA-N 342.436 1.082 0 40 EDAB COCCOc1ccc(NS(=O)(=O)c2ccccc2OC)cn1 71859408 WRCJJDJCKSYDHP-UHFFFAOYSA-N 338.385 1.916 0 40 EDAB O=C(NC1CCC(O)CC1)N[C@H]1CC(=O)N(Cc2ccccc2)C1 71803877 FFCQYJTXRMGRAF-PCKAHOCUSA-N 331.416 1.390 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NCc1cnc(N2CCOCC2)nc1 71809777 PIYYQWKPTCEIMF-HNNXBMFYSA-N 328.420 1.214 0 40 EDAB O=C(NCCCC(=O)N1Cc2ccccc2C1)NC[C@H]1CCOC1 71897690 HZKQHGKMIBDVMS-CQSZACIVSA-N 331.416 1.645 0 40 EDAB O=S(=O)(NCCN1CCCC[C@@H]1Cn1cccn1)c1ccccc1 71875290 WKVPCPJLUZOMLJ-MRXNPFEDSA-N 348.472 1.716 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)[C@H](C(N)=O)c3ccccc3)C2)no1 71870506 ZVYLKDAALHNDEG-WBVHZDCISA-N 343.431 1.501 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)C(C)(C)n1cc(Br)cn1 89937802 KKXWHYWXMQNUTG-SNVBAGLBSA-N 329.242 1.543 0 40 EDAB O=C1N[C@H](C(=O)O)CS[C@H]1Cc1cccc(Br)c1 62712288 LWYBTSVQTZRYHM-UWVGGRQHSA-N 330.203 1.676 0 40 EDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H](C)C(=O)NCc1ccccc1 89948657 HZFDWYRXQALTEE-QGTPRVQTSA-N 331.460 1.928 0 40 EDAB CCc1nnc2n1C[C@@H](CN[C@H](C)C(=O)NCc1ccco1)CC2 72267494 HUMNNIZTXASWDQ-CHWSQXEVSA-N 331.420 1.290 0 40 EDAB COCCN1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1nccn1C 72275876 HLJAGWVOIJVJHU-KBPBESRZSA-N 329.356 1.432 0 40 EDAB CCc1nc([C@H]2CCCN2CCn2nc3ccccn3c2=O)no1 72279306 QNIRHEURRNCCJK-GFCCVEGCSA-N 328.376 1.279 0 40 EDAB C[C@H](NC(=O)N[C@H](C)C[S@](C)=O)c1ccccc1-n1cccn1 97086368 NKPJCXXBJGJOIH-HEWAKGLMSA-N 334.445 2.000 0 40 EDAB O=c1c(I)cc(F)cn1C[C@@H]1CCOCO1 97085549 NKPOSUIXGREZAK-QMMMGPOBSA-N 339.104 1.355 0 40 EDAB CC(C)[C@H](C(=O)NC[C@H]1CC(=O)N(C)[C@H]1c1ccccc1)N(C)C 97079861 KGOYEHKGXBVHAH-NXHRZFHOSA-N 331.460 1.908 0 40 EDAB Cc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c2c(C)noc2n1 75606131 ZXRGJKKRIOGTBS-HUUCEWRRSA-N 344.415 1.511 0 40 EDAB CC(=O)N[C@@H](CC(=O)N[C@@H]1CCc2nccn2C1)c1cccs1 97197960 QWYONLKQHOBGTK-OLZOCXBDSA-N 332.429 1.643 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)n1 76049386 AWHGKPOQKXSEKO-LBPRGKRZSA-N 331.424 1.337 0 40 EDAB Cc1cccc(C(=O)NCCNC(=O)c2ccc(-n3ccnn3)cc2)c1 95444817 FZIXKJSOCCCKSD-UHFFFAOYSA-N 349.394 1.736 0 40 EDAB CC1(C)C[C@@H](NCCNS(=O)(=O)c2ccccc2)C(C)(C)O1 95421136 GINWRWFHTLVAKF-CQSZACIVSA-N 326.462 1.901 0 40 EDAB Cn1cnc2ccc(NC(=O)c3ccc(-n4cnnn4)cc3)cc2c1=O 95479327 IXGCPXJBPFTFDB-UHFFFAOYSA-N 347.338 1.162 0 40 EDAB Cn1cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)ccc1=O 95954457 JIBQJWFCVUJNAV-UHFFFAOYSA-N 343.402 1.919 0 40 EDAB O=C(OCCN1CCCC1=O)c1cnn(-c2ccc(F)cc2F)c1 95975568 ZRPPIVGMMDLQOD-UHFFFAOYSA-N 335.310 1.930 0 40 EDAB CCCCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 95947201 SUFKYZYYLANTEK-QGZVFWFLSA-N 345.443 1.051 0 40 EDAB O=C(c1ccccn1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 95953069 JCFBCHDVGJZKDR-LBPRGKRZSA-N 336.438 1.973 0 40 EDAB C[C@@H](O)[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(F)c(F)c1 126764045 ABRALETWAKNSGW-QMTHXVAHSA-N 326.343 1.457 0 40 EDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2nc(C3CC3)no2)C1 548010685 LCPDHFQMECLLOI-INIZCTEOSA-N 347.444 1.949 0 40 EDAB Cc1cc(NC(=O)CN2CC(=O)NC2=O)n([C@H]2C[C@H]3CC[C@H]2C3)n1 538276075 DGBCXRSXJKYRTN-SRVKXCTJSA-N 331.376 1.043 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)C1 72241778 INGGGXHTVKVKEX-OAUYIBNBSA-N 334.391 1.983 0 40 EDAB O=c1[nH]c(N2CCCCC2)nc2c1CCN(Cc1ccccn1)C2 72335530 UZLKVXLOJAMORR-UHFFFAOYSA-N 325.416 1.714 0 40 EDAB O=C(NC1CCCCC1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32103063 LNJVZJFDXKOLOW-ZDUSSCGKSA-N 328.420 1.790 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](Cc2cnc(Br)cn2)CC1 72343957 CTKYSMIUVRTPAK-SNVBAGLBSA-N 348.266 1.843 0 40 EDAB CC(=O)N1CCO[C@H](c2cc(NCc3snnc3C)nc(C)n2)C1 72387919 QFYHEUIYFSYIFE-ZDUSSCGKSA-N 348.432 1.477 0 40 EDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc(OC)c1 71980195 FAALWLYPSREOMW-HNNXBMFYSA-N 348.399 1.433 0 40 EDAB CC(=O)N1CCN(c2cccc(NC(=O)NCC(F)F)c2)CC1 186940778 ZPKZUASMRXFZOG-UHFFFAOYSA-N 326.347 1.742 0 40 EDAB CCO[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)C1 78664794 RUARFISPSXOSKR-CYBMUJFWSA-N 326.418 1.284 0 40 EDAB CN(C)[C@H](CNC(=O)C(=O)Nc1cnccc1O)c1ccccc1 49546458 WPRRISRTIYBOQX-CQSZACIVSA-N 328.372 1.145 0 40 EDAB O=C(O)[C@@H](Cc1ccccc1)n1ccc2c(nnc3ccnn32)c1=O 40388076 OOFWVHJJCBQRHT-CYBMUJFWSA-N 335.323 1.308 0 40 EDAB CCCCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223514046 CDDFRGJVJLRBEM-LBPRGKRZSA-N 328.434 1.766 0 40 EDAB Cc1cnc(C)c(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)n1 195563653 LZCLSQNVTVNPOR-UHFFFAOYSA-N 349.442 1.941 0 40 EDAB CN1CC[C@@H](NC(=O)C[C@@](O)(c2ccccc2)C(F)(F)F)C1=O 195566771 BBIPGCNGBJKSIG-BXUZGUMPSA-N 330.306 1.174 0 40 EDAB Cn1ncc2c1N=C(O)CS[C@H]2c1ccc(OCC(N)=O)cc1 49550541 NEEJWTQPLCBEJZ-AWEZNQCLSA-N 332.385 1.708 0 40 EDAB O=C(Cc1ccc(I)cc1)N1CC[C@@H](CO)C1 190991208 SLHHUARIARLBQN-LLVKDONJSA-N 345.180 1.675 0 40 EDAB C[C@H]1c2nncn2CCN1C(=O)c1cn(Cc2cccs2)nn1 571137910 JQMZAEQGVMVVMY-JTQLQIEISA-N 329.389 1.196 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N(CCO)[C@H]1CCCc2ccccc21 96455048 GDLPNMJSECQFKN-PBHICJAKSA-N 343.431 1.748 0 40 EDAB Cn1cccc1C(=O)N[C@@H]1CN(Cc2ccncc2)[C@@H]2CCCO[C@H]12 96056336 XWEIOHSQEXOCJM-JFIYKMOQSA-N 340.427 1.582 0 40 EDAB CCn1c(Cn2cccn2)nnc1C1CCN(c2cnccn2)CC1 91745554 IBAFHXMBTFJUMJ-UHFFFAOYSA-N 338.419 1.717 0 40 EDAB CCCS(=O)(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 96421266 ATYJTTIFVVAOKI-GOEBONIOSA-N 326.462 1.605 0 40 EDAB Cn1ncc2c1CN(C(=O)c1cnccn1)C[C@@H]2COCC1CC1 96044649 HAUDWIOLLYZPNJ-CYBMUJFWSA-N 327.388 1.376 0 40 EDAB Cc1ccc(-n2cc(C(=O)N[C@H]3CCc4nc(C)cn4C3)nn2)cc1 97198828 QALLKBOMNZXFTK-AWEZNQCLSA-N 336.399 1.825 0 40 EDAB C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1Cc1ccoc1 96062007 HZHUAFKHVTTXNN-HNNXBMFYSA-N 329.448 1.800 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 96055470 AQGZENVWZRHBLK-FVQBIDKESA-N 340.383 1.570 0 40 EDAB Cn1cc([C@]2(C)NC(=O)N(CCc3ccc(F)c(F)c3)C2=O)cn1 96496148 PXQWPEDTJUSFSQ-INIZCTEOSA-N 334.326 1.708 0 40 EDAB CN1C(=O)c2cccnc2O[C@H]2CN(Cc3ccncc3Cl)C[C@H]21 514290003 QWBVNVFQOOURJT-CABCVRRESA-N 344.802 1.847 0 40 EDAB biogenic,in-vitro O=C(c1cnccn1)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96048381 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DAVHKLCYQSETEW-KRWDZBQOSA-N 346.456 1.571 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)c2cncnc2C)CCN1C 257297833 RIYMJUKCUSPLDX-INIZCTEOSA-N 326.400 1.923 0 40 EDAB O=S(=O)(c1cncc(Cl)c1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 583616417 OREHPRFEZBHLTD-MGPQQGTHSA-N 346.836 1.286 0 40 EDAB O=C(CCOc1ccccc1F)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617782 ROPNQRDZUYXPEA-INIZCTEOSA-N 334.351 1.223 0 40 EDAB Cc1noc(C)c1CCC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 583619547 NOIIOSRJSHGEDT-QAPCUYQASA-N 342.399 1.707 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CCC(Cc2ccncc2)CC1 257211467 BYYYABLOFDSUCK-UHFFFAOYSA-N 334.445 1.767 0 40 EDAB Cc1noc(C)c1C(=O)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 257291077 QFNNBSZGWMPIFW-QGZVFWFLSA-N 348.378 1.587 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(Cc3ncc[nH]3)CCN2C(C)=O)c1 257261778 LITYHZVIROZTSL-MRXNPFEDSA-N 341.415 1.175 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCC[C@H]2c2ccnc(O)n2)n1 257301787 RZWXPBAHUXCFJN-LBPRGKRZSA-N 331.376 1.985 0 40 EDAB CN(Cc1nncn1C)C(=O)c1cccc(Nc2cnn(C)c2)c1 585083370 YRNLTHZJTFATJH-UHFFFAOYSA-N 325.376 1.564 0 40 EDAB C[C@H]1CCCN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 585090346 XJNYUEYDSDEDOA-BBRMVZONSA-N 336.407 1.494 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cc2ccccc2)nc1 257320747 VYKKBVONHSKQTF-MRXNPFEDSA-N 330.409 1.589 0 40 EDAB O=S(=O)(NCC1(CO)COC1)c1cc2nc(Cl)ccc2s1 585115570 HWXSBDIHSGOUEE-UHFFFAOYSA-N 348.833 1.237 0 40 EDAB Cn1ccc(N2CCC[C@@H](Nc3ccc4c(c3)C(=O)NC4)C2=O)n1 266421469 ARQIVMZWILUUIQ-CQSZACIVSA-N 325.372 1.271 0 40 EDAB O=C(c1cc(-n2ccnc2)ccn1)N1CCN(c2ncccn2)CC1 90608785 BZYLBIXAZFYSOF-UHFFFAOYSA-N 335.371 1.020 0 40 EDAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@@H](CO)C[C@@H]1CO 1615587457 ZYZAYUVYQNNYKZ-SWLSCSKDSA-N 349.818 1.649 0 40 EDAB CCN(c1cnn(C)c1)S(=O)(=O)c1cc(C)cc(C(=O)O)c1O 655593259 CONXZHDKGLPCMA-UHFFFAOYSA-N 339.373 1.348 0 40 EDAB Cc1cnccc1C(=O)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585276730 HWRPGMWXWBSOSS-IBGZPJMESA-N 344.386 1.975 0 40 EDAB O[C@H]1CCN(CC2(O)CCCC2)C[C@]1(O)COc1ccc(F)cc1 585284537 XYXHJNKNXHXUIV-WMZOPIPTSA-N 339.407 1.307 0 40 EDAB O=C(Cc1cnc[nH]1)N1CCO[C@](CO)(Cc2ccc(Cl)cc2)C1 585277414 WFTFYYMPXRWVIV-QGZVFWFLSA-N 349.818 1.438 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)CCc1ccc(F)cc1 585287711 BYHLVDVAHCRJJS-INMHGKMJSA-N 325.380 1.646 0 40 EDAB O=S(=O)(NCCc1ccccc1C(F)(F)F)N1CCOCC1 53672063 XROFAUBWHWUNFT-UHFFFAOYSA-N 338.351 1.415 0 40 EDAB C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC(N2CCCCC2)CC1 58281193 BLMYYJVRBZMMLW-CQSZACIVSA-N 338.496 1.950 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)CCCOc2cccc(F)c2)[nH]1 65551837 JLOLPKXVYJRYSS-UHFFFAOYSA-N 342.352 1.145 0 40 EDAB Cc1noc(CN2CCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)n1 67378265 XXNZPENOECJOJQ-AWEZNQCLSA-N 343.431 1.547 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2cncn2-c2ccccc2)CC1 69966770 LEBDPENXQKTQDA-UHFFFAOYSA-N 328.416 1.401 0 40 EDAB Cc1c(C(=O)OCCNC(=O)c2ccncc2)sc2nccn12 95455070 KWLUQAHBOSHWLZ-UHFFFAOYSA-N 330.369 1.686 0 40 EDAB Cc1cc(S(=O)(=O)NCC2(C)OCCO2)cc(C(=O)O)c1C 585121859 CNUCFGWUZOBGJW-UHFFFAOYSA-N 329.374 1.043 0 40 EDAB CC(C)[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cnn(C)c1 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0 40 EDAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H]1CCOC1=O 32910095 LAQCOWVVDQZLSV-CHWSQXEVSA-N 339.775 1.953 0 40 EDAB Cc1c(C(=O)N2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)cnn1C 2037985102 XZFNWBRYQSWOMW-GOSISDBHSA-N 348.447 1.361 0 40 EDAB O=C(NC1CC1)C1=NOC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1 1565545881 RMSMVTWEDZEQLR-UHFFFAOYSA-N 344.415 1.363 0 40 EDAB CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccc(C)cc1C 4107536 AMNJIMGQOQVQJM-CQSZACIVSA-N 326.418 1.181 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3ncsc3c2)C1 13790750 SFKSKKIEDRBXRS-SNVBAGLBSA-N 339.442 1.906 0 40 EDAB CCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2ccccc21 101061357 HSTHHAJIDOELMG-MSUUIHNZSA-N 331.397 1.689 0 40 EDAB CN([C@H]1CCCN(c2ncnc3c2CCC3)C1)S(=O)(=O)C1CC1 2086889141 FGHCDWWFJOHOMB-LBPRGKRZSA-N 336.461 1.358 0 40 EDAB Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)cc(=O)o1 206968134 HVDAKBDBCYQXQJ-GFCCVEGCSA-N 336.369 1.185 0 40 EDAB Cc1cccc(CS(=O)(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)c1 206961764 SGFNVKZTWTTYPR-UHFFFAOYSA-N 349.408 1.850 0 40 EDAB CCCc1nnsc1C(=O)NCCn1nnc2ccccc2c1=O 225797416 KHERIPAXNBJKNP-UHFFFAOYSA-N 344.400 1.026 0 40 EDAB CN(Cc1ccccc1)C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1 575609156 JVDFVKRQPGUXTR-UHFFFAOYSA-N 349.398 1.152 0 40 EDAB COC[C@@](C)(CNC(=O)C(=O)Nc1cccc(SC)c1)OC 575613608 VEFISYCBUPBOBB-OAHLLOKOSA-N 326.418 1.515 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(C)c(C)c1 30848539 LBUFILIMOKRPFK-HNNXBMFYSA-N 334.416 1.737 0 40 EDAB CC[C@@H](CO)NC(=O)[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 58294 UNBRKDKAWYKMIV-SUNYJGFJSA-N 339.439 1.925 0 40 EDAB in-vitro Cc1cc(NC(=O)CSCC(=O)N[C@H](C)c2ccccn2)no1 28780412 RHDDQABUMBJTDP-LLVKDONJSA-N 334.401 1.927 0 40 EDAB CN(C)c1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1 416966 GGGISIOKYXALIT-UHFFFAOYSA-N 328.420 1.855 0 40 EDAB COCC(=O)NC1CCN(Cc2nnc(-c3ccc(C)cc3)o2)CC1 40540215 UPZIJIQYAFEJMD-UHFFFAOYSA-N 344.415 1.772 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2nc3ccccc3o2)c1 31711127 SHEYXHPSELIVIG-UHFFFAOYSA-N 333.369 1.288 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)c3cc(C)n(C)c3C)nc2n1 2621085 VUCXNICRNIKBTC-UHFFFAOYSA-N 341.371 1.736 0 40 EDAB CC(=O)NCCCCCC(=O)NC1=NNC(=O)[C@@H]1c1ccccc1 101046188 NSNWNSVWBJGWDI-OAHLLOKOSA-N 330.388 1.026 0 40 EDAB O=C(CNS(=O)(=O)c1ccccc1)OCC(=O)c1cccs1 4454669 MLRHWKCNZGDKCB-UHFFFAOYSA-N 339.394 1.453 0 40 EDAB O=C(CCCC(=O)OCC(=O)NC1CCCC1)Nc1ccccn1 4858597 MDAYTMIAXZGXPI-UHFFFAOYSA-N 333.388 1.792 0 40 EDAB C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)c1ccccc1Cl 45856993 LJWMZMBAACFWJX-NSHDSACASA-N 330.837 1.248 0 40 EDAB COc1cccc([C@@H](CNC(=O)[C@@H](C)n2cncn2)N2CCCC2)c1 45872387 CNSHQIUGEXNCDP-RHSMWYFYSA-N 343.431 1.801 0 40 EDAB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccco1 6783882 FDERVCFEOHKBSB-VWPFQQQWSA-N 338.356 1.446 0 40 EDAB CC1(C)[C@@H]2CN(C(=O)NCCNC(=O)Cc3cccc(F)c3)C[C@H]21 101386672 YORWRDXBOXUVSQ-HUUCEWRRSA-N 333.407 1.782 0 40 EDAB Cc1nc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)sc1C 29442060 XKYACECBSPJRHT-CYBMUJFWSA-N 343.412 1.819 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16CC=CC[C@@]56[C@H]2[C@H]43 104287448 JAANWYAEPWLEGD-OFUAFVKMSA-N 331.375 1.739 0 40 EDAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1 10314789 QMOQIHCCZJQPON-UHFFFAOYSA-N 333.369 1.409 0 40 EDAB Cn1c(=O)c2c(nc3n2CCCN3C2CCCCCCC2)n(C)c1=O 385807 YFQITQSJBLXADJ-UHFFFAOYSA-N 345.447 1.757 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1OC(C)C 32402064 IMRKGUUNEVNWSL-UHFFFAOYSA-N 340.445 1.668 0 40 EDAB CC1=NN(CC(C)C)C(=O)[C@@H]1C(=O)NCCCc1c(C)noc1C 101902124 LYWWGXRQWMBUQS-HNNXBMFYSA-N 334.420 1.831 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC(=O)NCc1ccccc1 102636563 YAIHVWRMZINAKF-ZIAGYGMSSA-N 343.383 1.188 0 40 EDAB Cc1ccc2c(c1)S[C@H](C(=O)NCC1(C(N)=O)CCOCC1)C2 52743924 COSZULJEFJOFKQ-AWEZNQCLSA-N 334.441 1.410 0 40 EDAB CCn1c(N)c(C(=O)CN(C)[C@@H](C)c2ccc(C)cc2)c(=O)[nH]c1=O 52907487 NBUKLKMPQZCWNJ-LBPRGKRZSA-N 344.415 1.323 0 40 EDAB NS(=O)(=O)NC[C@H]1CCCN(Cc2nc3ccccc3s2)C1 69431549 UWRRATHLRCYACO-LLVKDONJSA-N 340.474 1.301 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3nc(-c4ccccn4)no3)CCO2)c1 69451513 KOZMTWBHVWZZHM-CQSZACIVSA-N 340.387 1.538 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCCC[C@@H]2C2OCCO2)c2ccccc21 69492534 QZJYLEVZOWMIFC-OAHLLOKOSA-N 345.399 1.094 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)COC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 101244427 ACRQKMKKIIBDSE-WCXIOVBPSA-N 340.464 1.574 0 40 EDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCCN(C2CC2)CC1 61605721 LNCVOAGJDPQQJY-UHFFFAOYSA-N 340.427 1.552 0 40 EDAB Cc1cccc(-n2nnc(C(=O)N[C@@H](C(N)=O)c3ccccc3)c2C)c1 54150263 XSDFJFYLZFCMDG-QGZVFWFLSA-N 349.394 1.841 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3F)CC2)no1 24974998 KYLADESEHYKZMM-UHFFFAOYSA-N 346.362 1.519 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)ccc1=O 106661741 WOEOWNBNCJKJQO-JKSUJKDBSA-N 333.432 1.194 0 40 EDAB C[C@H]1CCCCN1c1cc(C(=O)N2CCC[C@@H](C(N)=O)C2)ccn1 106637043 FCXYQLHDTVAAGD-DZGCQCFKSA-N 330.432 1.798 0 40 EDAB COc1ccc(CN2CC[C@@H](C(N)=O)C2)c(Br)c1OC 55903902 PXXIKEHPJBMXJE-SNVBAGLBSA-N 343.221 1.774 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1N[C@H](C)c1nnc(C)o1 107142293 JFLAHDSSYDQAQN-BNOWGMLFSA-N 344.481 1.867 0 40 EDAB NC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cccnc2)cc1 25593576 WUOIUFVWCTZZCK-UHFFFAOYSA-N 331.397 1.534 0 40 EDAB CCCn1nc(C(=O)NC[C@@H](C)N2CCc3ccccc32)ccc1=O 43771758 DIPNPIXSAHQWGJ-CQSZACIVSA-N 340.427 1.834 0 40 EDAB CCOC(=O)[C@H]1CSCCN1Cc1cc(=O)n2ccccc2n1 26337170 QMEINAKRQTYKDZ-CYBMUJFWSA-N 333.413 1.175 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@@H](c1ccc(C)cc1)NC(=O)N2 57531448 CPNIQJUPIHXXEV-MRXNPFEDSA-N 329.400 1.872 0 40 EDAB NC(=O)[C@H](OC(=O)Cc1ccc2c(c1)OCCO2)c1ccccc1 10125483 AKZLBQAUEJCXOV-QGZVFWFLSA-N 327.336 1.770 0 40 EDAB CN(C)c1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)cn1 44895090 XZFBCCJQNSBYKE-CQSZACIVSA-N 327.388 1.886 0 40 EDAB CCOCCCNC(=O)CN(c1ccccc1OC)S(C)(=O)=O 2179195 CZMROAWALJAFDU-UHFFFAOYSA-N 344.433 1.004 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NC[C@H]1CCCO1 44966257 MCCGQDLUJJYCJS-DGCLKSJQSA-N 341.433 1.215 0 40 EDAB CCN(CC)C(=O)CCCNS(=O)(=O)c1cccc(F)c1F 58378012 DZHFQGBBQHDXEC-UHFFFAOYSA-N 334.388 1.892 0 40 EDAB CCN(c1ccc(C(=O)Nc2cnn(CC(N)=O)c2)cc1)C(C)C 58329165 KVGNYLPMPBCRHY-UHFFFAOYSA-N 329.404 1.855 0 40 EDAB CCn1cnnc1CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58357210 QXTFSHZSRXZDEB-OAHLLOKOSA-N 345.422 1.966 0 40 EDAB Cc1ccccc1C[C@@H](C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 58314576 VFUJUNSSHFNZSI-UKRRQHHQSA-N 341.498 1.963 0 40 EDAB O=C(CNC(=O)NCc1cccc(F)c1)NCCc1ccccc1 58559005 MQSRQGYDLYYMSQ-UHFFFAOYSA-N 329.375 1.984 0 40 EDAB COc1ccccc1CCNC(=O)c1ccc(F)cc1-n1cnnn1 36367031 VTIZLWFXJMLBSB-UHFFFAOYSA-N 341.346 1.783 0 40 EDAB NS(=O)(=O)Cc1ccc(CNC(=O)COc2ccccc2)cc1 10706526 CHAHBTPHMHNCPY-UHFFFAOYSA-N 334.397 1.170 0 40 EDAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccco1 48380372 PXVTUCIIYBLKFG-CABCVRRESA-N 343.431 1.705 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 3486232 VVCBEEDXADWVQK-LBPRGKRZSA-N 347.371 1.363 0 40 EDAB CC(C)CCC(=O)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 306125099 CGYLCLYGFHQXKP-HNNXBMFYSA-N 343.489 1.865 0 40 EDAB CC(=O)c1cccc(OCC(=O)NCCc2nnc3n2CCC3)c1 69585635 VMCPDZKWJBCSCM-UHFFFAOYSA-N 328.372 1.165 0 40 EDAB Cc1c([C@@H](C)NC(=O)NCc2cccc(C(=O)N(C)C)c2)cnn1C 49274224 TTXDRBTWYCTNSH-GFCCVEGCSA-N 343.431 1.991 0 40 EDAB NS(=O)(=O)NC[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 69517185 KBTSDKRDSBQAAW-JTQLQIEISA-N 335.832 1.484 0 40 EDAB Cc1ccc(OCCCNC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1 69517294 BAHGSFMESNOYRM-UHFFFAOYSA-N 329.400 1.823 0 40 EDAB CCN(C)[C@H](C(=O)Nc1cnn(CC(=O)NC)c1)c1ccccc1 69536440 JNNSUMDCHNAKMN-INIZCTEOSA-N 329.404 1.261 0 40 EDAB CC(C)Oc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c(F)c1 69846590 DGCYCFYIBSRMQV-SNVBAGLBSA-N 330.381 1.922 0 40 EDAB CCc1nc(CN2CCCN(C(=O)Cn3cccn3)CC2)cs1 69878655 KNANQZMGRMLDEU-UHFFFAOYSA-N 333.461 1.637 0 40 EDAB Cc1cc(C)c(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c(=O)[nH]1 16513093 PLOXKOSQHUAKOP-UHFFFAOYSA-N 347.459 1.893 0 40 EDAB O=C(O)[C@H]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 5179684 BNZGFUBHIKEAGN-BARDWOONSA-N 344.411 1.685 0 40 EDAB CCSCCC(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 69817057 PQRVTRMRQPFDQG-NSHDSACASA-N 330.475 1.997 0 40 EDAB CS(=O)(=O)CCSc1nnc(-c2ccc3c(c2)OCO3)o1 49908624 PENGDDQOVBZKRD-UHFFFAOYSA-N 328.371 1.602 0 40 EDAB Cc1csc(N2CCN(C[C@H](O)COC[C@@H]3CCCO3)CC2)n1 69627103 PHWXFVRIKKIQBZ-GJZGRUSLSA-N 341.477 1.130 0 40 EDAB CCN(CC)C(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408702392 FGZGKMHNDGCSPR-UHFFFAOYSA-N 328.434 1.325 0 40 EDAB CN(C[C@H](O)c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 65464049 YSXGVMWRWMWMQX-MFKMUULPSA-N 337.363 1.858 0 40 EDAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl 14093915 WKMNTMLWCPNZDG-SECBINFHSA-N 330.793 1.672 0 40 EDAB CCNC(=O)NC(=O)CSc1nc(-c2ccc(CC)cc2)n[nH]1 6450843 GFCRIDFUAOILAC-UHFFFAOYSA-N 333.417 1.972 0 40 EDAB CN(CCC(=O)N1CCc2ccccc21)CC1CCN(CCO)CC1 69628379 WRVSIEXYAMRUQI-UHFFFAOYSA-N 345.487 1.602 0 40 EDAB CCCc1nnc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 14168578 SNYKBNXMUNINJK-AOOOYVTPSA-N 336.417 1.604 0 40 EDAB COCCN(C(=O)c1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 65621654 ILWBPJYNEDDTQY-OAHLLOKOSA-N 325.430 1.579 0 40 EDAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCCCO 6658652 RYMZCWSYBSFCKJ-LLVKDONJSA-N 331.368 1.548 0 40 EDAB O=C(Nc1ccc(Br)cc1F)[C@@H]1CCS(=O)(=O)C1 14670989 HBKSUNPUDXRWAZ-SSDOTTSWSA-N 336.182 1.961 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)NC[C@@H]2CCCN(C(C)C)C2)C1 69703956 IJVSXVDNYQXMOE-LSDHHAIUSA-N 340.468 1.637 0 40 EDAB CN(CC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1 69709918 GRPLZECCZWHCKV-ZDUSSCGKSA-N 343.349 1.744 0 40 EDAB Cc1csc(N2CCN(CC(=O)Nc3nnc(C)s3)CC2)n1 69348536 UVNXHGWAMDGLQT-UHFFFAOYSA-N 338.462 1.372 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC2(CC1)OCCO2 24994998 BJIBFNQLPBQOSZ-MRXNPFEDSA-N 346.427 1.807 0 40 EDAB CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1 5871159 BLQSEYYWMUIMKB-UHFFFAOYSA-N 331.372 1.256 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)C1 69329018 XYLXJPDIBRCGSL-MRXNPFEDSA-N 339.395 1.998 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)n1 69929832 XILKELDFWUIZHZ-CABCVRRESA-N 333.436 1.282 0 40 EDAB COCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O 409148662 ZJZNULYPXKZGOZ-ZRDIBKRKSA-N 338.385 1.799 0 40 EDAB COc1cc(C(C)=O)ccc1OCC(=O)NC[C@H](O)C1CCCC1 69951760 ZDFBHEJEEJAHOG-HNNXBMFYSA-N 335.400 1.944 0 40 EDAB CC(C)(C(=O)NCCCNS(C)(=O)=O)c1ccccc1Cl 69917934 JHBJOGWRDRSJSD-UHFFFAOYSA-N 332.853 1.673 0 40 EDAB CC(=O)Nc1nc(CN(C)[C@H]2CCCN(c3cccnn3)C2)cs1 69969474 ADZKXAJIZZEIAR-AWEZNQCLSA-N 346.460 1.992 0 40 EDAB O=C1CC[C@@H](NC(=O)COc2ccc(Cl)cc2Cl)C(=O)N1 89753841 ASVMJRJXCAOROW-SECBINFHSA-N 331.155 1.294 0 40 EDAB Cc1ccc(F)c(NC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 71920161 CUJSARJYRLERQC-CYBMUJFWSA-N 348.422 1.951 0 40 EDAB CCOC(=O)[C@@]1(C)CCCN1CC(=O)NCc1ccc(OC)cc1 89978185 MXWWIDGSOAZJPB-GOSISDBHSA-N 334.416 1.729 0 40 EDAB COc1ccc(S[C@H](C)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 83927545 RYKIXAYODIASSK-VXGBXAGGSA-N 336.413 1.839 0 40 EDAB COc1cc(/C=C/C(=O)Nc2nccs2)ccc1OCC(N)=O 9156157 KEKNAEHIXRLETO-HWKANZROSA-N 333.369 1.668 0 40 EDAB C[C@@H](NC(=O)CS(=O)(=O)N(C)C)c1ccccc1Br 96010418 VLOKINFBHAQDDY-SECBINFHSA-N 349.250 1.518 0 40 EDAB CNS(=O)(=O)CC(=O)NCCCc1ccc(Cl)cc1Cl 83616170 HUMWYWKFBACCGD-UHFFFAOYSA-N 339.244 1.591 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)CN2CCCNC2=O)C1 96409534 UGCRWDCXRDDBNS-HNNXBMFYSA-N 348.422 1.634 0 40 EDAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccnc2ccnn12 76640599 IPGPNWCJMSMPJL-UHFFFAOYSA-N 337.339 1.484 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1O 71883640 JCCPWHAKBUGDTA-SSDOTTSWSA-N 338.212 1.864 0 40 EDAB O=C([C@@H]1CCOC1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 71834615 FUBVAOCZLDIRDI-OAHLLOKOSA-N 332.400 1.139 0 40 EDAB COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCC(OC)CC2)CC1=O 71881413 NOCBJBFXEDSRLW-AWEZNQCLSA-N 346.427 1.994 0 40 EDAB CN1CC2(CCN(C(=O)C3CC3)CC2)c2nn(CC3CC3)cc2C1=O 306140168 UMDJDKXXRDJVTA-UHFFFAOYSA-N 342.443 1.649 0 40 EDAB CCc1cccc2c(CCNC(=O)[C@H](C)NS(C)(=O)=O)c[nH]c12 71898178 DPJOCWICHYOPBK-NSHDSACASA-N 337.445 1.327 0 40 EDAB CN(CC(=O)N(C)c1nccs1)C[C@@H]1CCCN1c1cccnn1 71860046 GAZUFTTUQXALEJ-ZDUSSCGKSA-N 346.460 1.497 0 40 EDAB C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3ccsc3)cn2)C[C@@H](C)O1 72295849 YANDZLLWXMGCIX-TXEJJXNPSA-N 348.428 1.833 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1cnn(C(C)(C)C)c1 72284894 SUJAMEFLZAQYGO-UHFFFAOYSA-N 342.403 1.521 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)c2cccc3c2OCC(=O)N3)no1 72299238 MSPLLFGVEFYKJV-GFCCVEGCSA-N 342.355 1.940 0 40 EDAB COCCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F 97081669 VREQLVJFOZVGRY-ZDUSSCGKSA-N 330.306 1.741 0 40 EDAB CCN1CCCC[C@@H]1C(=O)Nc1cn(C)cc(Br)c1=O 97114785 LZGORIWNGIDKLM-GFCCVEGCSA-N 342.237 1.961 0 40 EDAB CCc1cnc(CN(C)[C@@H]2CCN(CC(=O)Nc3cccnc3)C2)o1 78891807 IZORDUAYNLQLOI-OAHLLOKOSA-N 343.431 1.777 0 40 EDAB O=C(CCN1CCO[C@@H](CNc2cccnn2)C1)NC1CCCCC1 78893522 ZLMMIKQLULUOIV-INIZCTEOSA-N 347.463 1.428 0 40 EDAB Cc1ccc(F)cc1C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 72535018 PVBBXBKWFIRNPB-LBPRGKRZSA-N 337.376 1.943 0 40 EDAB CN(CC1CC1)C(=O)CN1CCCN(C(=O)c2ccccc2)CC1 97477523 NGDZTJBGTCZQKC-UHFFFAOYSA-N 329.444 1.703 0 40 EDAB O=C(NC1CCC(O)CC1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 95349370 UUVYNICWTYIPFV-KLHKWILBSA-N 342.439 1.948 0 40 EDAB CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)Cc2cccc(Cl)c2)C1 95440031 CFJQVNLSLKJDOD-FZMZJTMJSA-N 344.864 1.669 0 40 EDAB C[C@H]1CN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C[C@@H]1O 95454213 YSUMLQYGTFATFP-YOEHRIQHSA-N 346.427 1.874 0 40 EDAB CC[C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@@H]1N1CCOCC1 84735795 AAFOZIGQPAEAIL-CABCVRRESA-N 336.436 1.270 0 40 EDAB Cn1cc(N2CCN(C(=O)[C@@H]3OCCc4ccccc43)CC2)cn1 95972784 FHDLUFWDFWKDTC-QGZVFWFLSA-N 326.400 1.383 0 40 EDAB CC[C@H](C)NC(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 9914220 XXRQSEQADNXBPJ-ZETCQYMHSA-N 337.401 1.673 0 40 EDAB CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)C2CC2)CC1 306143697 YJSBVRZOZIQAMJ-UHFFFAOYSA-N 345.447 1.381 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 408736402 BPVIASGOKGBBOC-ZFWWWQNUSA-N 327.340 1.654 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1OCC 408700077 ASCSRCGVSQNDOO-UHFFFAOYSA-N 326.418 1.620 0 40 EDAB CCn1nccc1CCSc1nnc(N2CCOCC2)s1 189471600 VKKCLYQBFHKOMU-UHFFFAOYSA-N 325.463 1.926 0 40 EDAB COCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3cnccn3)n2)C1 72382517 ZPEMDUYDHBDOGG-GFCCVEGCSA-N 328.376 1.281 0 40 EDAB O=C(c1ccccc1)N1CCN2C(=O)N(Cc3ccccn3)C[C@H]2C1 77266174 SBHWDGHMXISGKY-QGZVFWFLSA-N 336.395 1.844 0 40 EDAB biogenic,in-vitro CN1C(=O)COc2ccc(S(=O)(=O)Nc3nccs3)cc21 74936353 ZJFKQOMJMDXORC-UHFFFAOYSA-N 325.371 1.299 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1c1cccc(N2CCC(O)CC2)n1 72364942 NVZQZASQGKWSKV-AWEZNQCLSA-N 325.434 1.139 0 40 EDAB CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]1c1ccc(O)nn1 528308396 SIVMBIIBFNHBOW-CHWSQXEVSA-N 330.392 1.987 0 40 EDAB O=C(O)Cc1cnc(COc2cccc(C(F)(F)F)c2)[nH]c1=O 217385089 RJHCZKUXTWWQPN-UHFFFAOYSA-N 328.246 1.995 0 40 EDAB CN(CCn1cccn1)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 78113386 CJAFRDKMEQGXDF-KRWDZBQOSA-N 328.416 1.243 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(CCc2ccc3c(c2)CCO3)C1 72577505 KNSJLRVQYNCSKN-OAHLLOKOSA-N 338.473 1.425 0 40 EDAB O=C(c1cc(F)cc(Cl)c1O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 556830050 CAUSAFZEJDMZFX-RYUDHWBXSA-N 347.795 1.976 0 40 EDAB O=C(Nc1cccnc1)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 79350680 MRTNSIUITGPHHN-UHFFFAOYSA-N 348.300 1.065 0 40 EDAB O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(F)cc1 64871391 KIPRCLHHXGMJLF-UHFFFAOYSA-N 337.314 1.822 0 40 EDAB CN(C)c1ncccc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 78997583 DEBGMGMSVGUXBU-CQSZACIVSA-N 342.374 1.822 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)N1CC[C@@]2(O)CCCC[C@@H]2C1 71334723 ABMNKCUNRHEWSF-BEFAXECRSA-N 345.443 1.276 0 40 EDAB CC(=O)c1cc(C(=O)Nc2c[nH]cc(Br)c2=O)n(C)c1 89990193 KNCTXIKCKORXNI-UHFFFAOYSA-N 338.161 1.931 0 40 EDAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1ccno1 225771594 GTLCNHUAVAXVSI-UHFFFAOYSA-N 335.747 1.479 0 40 EDAB COc1ccc(C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)cc1 225444501 KXJGIHYPUYJWSL-OAHLLOKOSA-N 342.399 1.845 0 40 EDAB COc1ccccc1CN1C(=O)CC[C@@H]1C(=O)Nc1nnc(C)s1 223407155 KJRPUTVWGTUAJO-GFCCVEGCSA-N 346.412 1.985 0 40 EDAB NC(=O)[C@@H]1CCCN(c2ccccc2CNC(=O)/C=C/C2CC2)C1 80022744 WZKOPSYIPNSBKC-ZNFPLGDCSA-N 327.428 1.971 0 40 EDAB O=C(NCCc1ccncc1)[C@@H]1C[C@@H]2CCN(C3CCC3)C[C@@H]2O1 96065510 VJGJPJGGJKXDDV-SZMVWBNQSA-N 329.444 1.772 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3OCC[C@@H](c4nc(C)no4)[C@H]3C2)cn1 96066370 VDSVYOWWVUKBNW-UMVBOHGHSA-N 343.387 1.511 0 40 EDAB CN1N=C(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)CCC1=O 96431471 NZLWVEBLORNYBK-UHFFFAOYSA-N 343.362 1.278 0 40 EDAB O=C(c1ccno1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 96239733 AYGXLSIIWAAPHA-OAHLLOKOSA-N 349.341 1.843 0 40 EDAB Cc1nnc(N2CCOC[C@]3(CCCN(C(=O)c4ccoc4)C3)C2)o1 96049697 AODQOYHHCDLNSF-KRWDZBQOSA-N 346.387 1.730 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 96041031 CLEUBIFMGKXNCA-SZMVWBNQSA-N 345.443 1.356 0 40 EDAB CN1C(=O)[C@H](c2cccnc2)CC12CCN(S(=O)(=O)C1CC1)CC2 96199507 TUAXVSOXRJZKSF-HNNXBMFYSA-N 349.456 1.354 0 40 EDAB NC(=O)c1csc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 96404146 YAQOFUJLNNRBSN-NEPJUHHUSA-N 340.470 1.974 0 40 EDAB O=C(c1ccoc1)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 96047084 NBLYUWICKCJUAV-GOSISDBHSA-N 340.383 1.838 0 40 EDAB O=C(c1ccc[nH]1)N1CCOC[C@@]2(CCN(C3CCOCC3)C2)C1 96070358 GUBPQSMIPJPCTB-GOSISDBHSA-N 333.432 1.358 0 40 EDAB O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N[C@@H]1CCN(CC(F)(F)F)C1 97378522 SOLJGXVDTNPCMA-JHJVBQTASA-N 335.370 1.880 0 40 EDAB Cc1noc(CCCNC(=O)N2CCOC[C@H]2c2ccc(C)o2)n1 96408854 XWAYEYSDWYBJMI-ZDUSSCGKSA-N 334.376 1.995 0 40 EDAB CO[C@H]1CCN(Cc2cnn(C)c2)[C@@H]2CN(Cc3ccco3)C[C@H]12 96207922 ZBEVPXAVCVKGDT-KSZLIROESA-N 330.432 1.734 0 40 EDAB Cc1oncc1C(=O)N[C@@H]1CN(C2CCOCC2)C[C@@H]2CCCO[C@@H]21 97953478 JUPZOCPCZKMUOR-XKQJLSEDSA-N 349.431 1.371 0 40 EDAB COc1nccc(NC(=O)NCC2(N)C3CC4CC(C3)CC2C4)n1 333282904 HWUUEPYMTJKHHL-UHFFFAOYSA-N 331.420 1.760 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(CN3CCCCC3)C2)cn1 96218964 ZJFLJEQVVLAEIS-MJGOQNOKSA-N 329.444 1.965 0 40 EDAB CN(C)C(=O)CN1CCOCC2(CCN(Cc3ccco3)CC2)C1 96239863 ZZLXJQVDIIOOMI-UHFFFAOYSA-N 335.448 1.282 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1ncccc1F 96041903 OUNXBSBEIPNGJW-RRFJBIMHSA-N 344.346 1.462 0 40 EDAB O=C(O)[C@@H]1CCCN(c2nccn(Cc3cccc(F)c3)c2=O)C1 96530553 POIMPSDDDNZOCX-CYBMUJFWSA-N 331.347 1.732 0 40 EDAB Cc1cc(C)cc(C[C@@H](C)NC(=O)NCCCS(C)(=O)=O)c1 96439551 LGTNYVHCQZXGQP-CQSZACIVSA-N 326.462 1.968 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)NC[C@@H](C(=O)O)C1CCOCC1 580182721 BXTYZVOANJCINB-CYBMUJFWSA-N 345.392 1.540 0 40 EDAB CO[C@H](C)CS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C 249510657 IFFRVLWBRLGQLN-IIAWOOMASA-N 326.462 1.461 0 40 EDAB O=C(CN1Cc2ccnn2[C@@H](CN2CCCCC2)C1)N1CCCC1 247759863 GPOWLNQVNZLYEY-KRWDZBQOSA-N 331.464 1.348 0 40 EDAB Cc1cccc(CN2CC3(C2)OCC[C@@H]3CCOCC(=O)N(C)C)n1 248046093 WKSHTQNCMKTFSV-INIZCTEOSA-N 347.459 1.476 0 40 EDAB CO[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2ccnn2C1 248055454 OIFTUYIOVHOJMT-CYBMUJFWSA-N 325.372 1.441 0 40 EDAB CC(C)NC(=O)Cc1cn2c(n1)[C@H](C)N(CC1CCOCC1)CC2 247962539 AFYYBIKAYFUUSX-AWEZNQCLSA-N 334.464 1.753 0 40 EDAB CCc1occc1C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1cncn1C 583619175 LYPJGOSPBJPUMY-MLGOLLRUSA-N 330.388 1.667 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)Cn3ccnc3)CCO2)ccn1 257252111 JTOZZJKBOUYUHY-MRXNPFEDSA-N 343.431 1.204 0 40 EDAB CNc1cc(N2CCC[C@](O)(CNC(=O)c3ccsc3)C2)ncn1 257333963 YDXCTKSVINPFCF-INIZCTEOSA-N 347.444 1.341 0 40 EDAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257299884 RSBKUUIUFSFXIO-CYBMUJFWSA-N 348.428 1.884 0 40 EDAB O=C(CCn1cnc2ccccc21)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257339622 ZCNOYYQAPPCGJJ-WMZOPIPTSA-N 329.400 1.569 0 40 EDAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)CCCn2ccnc2)C1 257294451 QUFIHFWYEJUBBA-IAGOWNOFSA-N 332.448 1.913 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N(C)[C@H]1CCCN(c2ccccn2)C1 257222325 DSVYRGNXOVWYNE-AWEZNQCLSA-N 349.460 1.413 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]2CN(C(=O)C3CCOCC3)CC[C@H]21 257279835 OIJRTSTUMJEVGE-LSDHHAIUSA-N 344.477 1.076 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2O)nc1 257234398 GTIQYYZBMGOJSS-NCOADZHNSA-N 346.358 1.201 0 40 EDAB C[C@H]1C[C@@H](C)C[C@H](NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1 585090341 RTKGLSYQFGEMFF-OJDYBEQGSA-N 336.407 1.857 0 40 EDAB O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)N1CCC[C@H](OC2CCC2)C1 585090922 ANJQEPZDZTYPOL-ARFHVFGLSA-N 335.448 1.883 0 40 EDAB COc1cc2c(cc1CNC(=O)N[C@@H]1C(=O)NCC1(C)C)O[C@@H](C)C2 585137597 IIROSVDUMYKAPU-ZUZCIYMTSA-N 347.415 1.342 0 40 EDAB CO[C@@H]1CC[C@@H](N(C)C(=O)COc2cccc3c2OC(C)(C)C3)[C@H]1O 257237405 HGHOBNMLDCYNSD-CKEIUWERSA-N 349.427 1.776 0 40 EDAB CCN1CCCN(C(=O)CCc2nc(O)c3ccccc3n2)CC1 586764908 MCBTXYYXMAUHQL-UHFFFAOYSA-N 328.416 1.822 0 40 EDAB Cc1c[nH][nH]c1=NC(=O)N=c1ccn(C(C)(C)C(=O)OC(C)(C)C)[nH]1 597118759 FDZSVOLOGFMRLX-UHFFFAOYSA-N 348.407 1.479 0 40 EDAB O=C(NCCN1CCOCC1)c1cnc(Nc2ccccc2)nc1 92028404 LKTXJFKTSJXAJF-UHFFFAOYSA-N 327.388 1.282 0 40 EDAB Cn1cccc(C(=O)NC[C@@](O)(c2ccoc2)c2ccco2)c1=O 390827181 USHIRDSXJUNFCD-QGZVFWFLSA-N 328.324 1.237 0 40 EDAB O=C(NCc1cn(-c2ccncc2)nn1)NCc1ccccc1F 390831920 VYMJGIBAQNNZCM-UHFFFAOYSA-N 326.335 1.801 0 40 EDAB Cc1cc(CN2CCN(c3nccc(N4CCCC4)n3)CC2)no1 733184102 IQPVSRMKONDCIB-UHFFFAOYSA-N 328.420 1.695 0 40 EDAB COc1ccc(C(=O)Nc2cnc(N(C)C)nc2)cc1OCCO 390834006 QGUVSOHPIFNLCA-UHFFFAOYSA-N 332.360 1.175 0 40 EDAB O=C1C[C@]2(COCCN(c3cnccn3)C2)CN1Cc1ccccc1 585103751 FWSPLNFLRGDGIF-LJQANCHMSA-N 338.411 1.732 0 40 EDAB COCC[C@@H]1CCOC12CCN(S(=O)(=O)c1cccnc1)CC2 585104676 KVMNZNRWLNFBFV-CQSZACIVSA-N 340.445 1.678 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@H](CC(=O)N2CC(F)(F)C2)C1 585095674 AUIWTQLHZBNFPL-GFCCVEGCSA-N 326.347 1.290 0 40 EDAB C[C@H]1Cc2nnc(COCC3CC3)n2CCN1C(=O)C1CC(F)C1 585097529 LCVKXDJXGGQCKI-XGNXJENSSA-N 336.411 1.726 0 40 EDAB O[C@]1(CN2CCOCC2)CCN(Cc2ccc(OCCF)cc2)C1 585269841 LXNLEDWAJQALEM-SFHVURJKSA-N 338.423 1.304 0 40 EDAB CCn1nc(C)c(S(=O)(=O)Nc2csc(C(N)=O)c2)c1C 585140373 CTQQLKGEUXDFQP-UHFFFAOYSA-N 328.419 1.481 0 40 EDAB CNC(=O)[C@@]1(C)CN(C(=O)c2c[nH]c3ccc(OC)cc23)CCO1 585177395 GRQYWFPNNIHHPN-QGZVFWFLSA-N 331.372 1.154 0 40 EDAB O=C(O)[C@@H](C(=O)NCc1ccnc(-n2ccnc2)c1)C1CCCC1 852950293 OMMLIZRSPJHBTR-OAHLLOKOSA-N 328.372 1.775 0 40 EDAB O=C(CN1CC(c2nc(-c3cccs3)no2)C1)NC[C@H]1CCCO1 49484598 IEEYHRDKOZQNGG-GFCCVEGCSA-N 348.428 1.493 0 40 EDAB CS(=O)(=O)NCC(=O)Nc1ccc(N2CCc3ccccc32)cc1 62261733 ZMHLGFCBPXZLDE-UHFFFAOYSA-N 345.424 1.869 0 40 EDAB CN(CC(=O)N1CCNC1=O)Cc1cc(Br)ccc1F 58191366 AGZZSHFGYXKEMC-UHFFFAOYSA-N 344.184 1.572 0 40 EDAB CCCCCNC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 69775946 UMJVZWQELGVXFF-GFCCVEGCSA-N 328.438 1.863 0 40 EDAB CCS(=O)(=O)NCC(=O)NCc1cc2c(s1)CCCCC2 95976070 GCWCUXVOSJQNMD-UHFFFAOYSA-N 330.475 1.573 0 40 EDAB Cc1oc(-c2cccs2)nc1C(=O)N1CC[C@H](c2nn[nH]n2)C1 1558077940 FWYGXAINKVVSBL-VIFPVBQESA-N 330.373 1.854 0 40 EDAB COC[C@H](NC(=O)c1cc(OC)ccc1Br)C(=O)OC 95994586 SCVDIGZCCGUPHY-NSHDSACASA-N 346.177 1.376 0 40 EDAB Cc1cc(C)n(C2CN(CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)C2)n1 71880715 MTIYMJZQTABBGA-DLBZAZTESA-N 332.448 1.527 0 40 EDAB NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1F 84339160 PSMRDHSFLUORAM-IONNQARKSA-N 336.335 1.426 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1565522711 OOADFCQEFWBSDW-UHFFFAOYSA-N 332.310 1.173 0 40 EDAB O=C(CN1CCC[C@H](C(=O)N2CCOCC2)C1)Nc1ccccc1F 97024863 YNXMRMMOPBPCEB-AWEZNQCLSA-N 349.406 1.335 0 40 EDAB O=C(NCCNC(=O)c1ccccc1)N[C@@H]1c2ccccc2C[C@H]1O 79130106 LXCMNTKYVDZGAZ-IAGOWNOFSA-N 339.395 1.374 0 40 EDAB COCCOc1ccc(CNc2nc3ccccc3c(=O)[nH]2)cn1 97995068 KWSQZBKUXVGRMQ-UHFFFAOYSA-N 326.356 1.955 0 40 EDAB O=S(=O)([C@@H]1C[C@@H]1c1ccccc1)N1CCO[C@@]2(CCCOC2)C1 1616028870 IBSOURQWRSXUJD-ZACQAIPSSA-N 337.441 1.754 0 40 EDAB Cc1nn(C)cc1CN1CCc2nc(-c3ccccn3)nc(O)c2C1 12122373 VWKKVLCUMIORFP-UHFFFAOYSA-N 336.399 1.844 0 40 EDAB C[C@@H](Cn1nnc2ccccc21)NC(=O)CCn1nnc2ccccc21 12145018 FVETVOQMWPVNMW-ZDUSSCGKSA-N 349.398 1.771 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCOC(C)C)cc1 14135488 RNOWMEOABNAURN-UHFFFAOYSA-N 342.461 1.547 0 40 EDAB Cc1ccc([C@H](Cc2ccsc2)NS(=O)(=O)c2ncn[nH]2)nc1 19215666 PCDQPOFTVZJJJR-ZDUSSCGKSA-N 349.441 1.832 0 40 EDAB CN1C[C@@H](C(=O)N2CCOCC2)[C@@]2(CCc3ccccc3C2=O)C1 19590822 RXZQDFSPMJWQHW-QFBILLFUSA-N 328.412 1.222 0 40 EDAB O=C(c1ccc(Cl)s1)N1CCC(N2C(=O)CNC2=O)CC1 245053395 OSFIPOUKCRZJNW-UHFFFAOYSA-N 327.793 1.558 0 40 EDAB CC(C)CS(=O)(=O)[C@H]1CCCN(C(=O)c2cccn(C)c2=O)C1 585146951 YBCUOMJZYBRHNA-ZDUSSCGKSA-N 340.445 1.061 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 5495554 SSGYHGZSCFCLKA-UHFFFAOYSA-N 337.335 1.880 0 40 EDAB Cc1cccc(N2CCN(C(=O)Cn3ccccc3=O)CC2)c1C 7106472 ZVWDBVJGRZKTHM-UHFFFAOYSA-N 325.412 1.814 0 40 EDAB COc1ccnc(N2C[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@H]3C2)n1 1888844587 LNUCJLOAPJCNOL-STQMWFEESA-N 343.387 1.298 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 1848352316 YZVFPJXKIYBVCH-AWEZNQCLSA-N 325.372 1.819 0 40 EDAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCCCC1 21897383 NNQLFGSMFQIYKG-UHFFFAOYSA-N 327.384 1.948 0 40 EDAB Cc1ncccc1C(=O)N1CC[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037984519 DIPWSLVOZCSPCI-GOSISDBHSA-N 331.416 1.490 0 40 EDAB CC(C)N1C[C@]2(CCN(C(=O)c3ccn(C(C)C)n3)C2)COCC1=O 2037985318 FNJUIGAZQLSGSC-GOSISDBHSA-N 348.447 1.564 0 40 EDAB COC(=O)[C@H](NC(=O)c1ccc(OC2CCOCC2)nc1)C(C)C 253402121 NYUHBNKKBJDEHA-OAHLLOKOSA-N 336.388 1.567 0 40 EDAB O=C(NC1CCCC1)c1ncn2c1CN(C(=O)c1cc[nH]c1)CCC2 1565554280 MUMNXFCORXLFFJ-UHFFFAOYSA-N 341.415 1.930 0 40 EDAB O=C(CSc1nnc(NC(=O)C2CC2)s1)NC[C@@H]1CCCO1 4328581 LKLOCQUKDHMTLB-VIFPVBQESA-N 342.446 1.274 0 40 EDAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1NCCN(C)C 9166017 KLPWGNRZTTVGSN-UHFFFAOYSA-N 348.378 1.522 0 40 EDAB Cc1noc(C[C@]23COC[C@H]2CN(C(=O)c2ncnc(C)c2C)C3)n1 2055759305 JURQIVYFFKITME-DYVFJYSZSA-N 343.387 1.116 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)C1 225806237 XPDQLTANWCGMMS-LBPRGKRZSA-N 339.355 1.655 0 40 EDAB O=c1ccc(-c2cccnc2)nn1CC1CN([C@H]2CCCC[C@H]2O)C1 585605671 FSFOPRWEVGFTAE-ZWKOTPCHSA-N 340.427 1.541 0 40 EDAB O=C(NCc1nccnc1-c1ccoc1)OCCN1CCOCC1 575621365 WBDXFVLEKLISHB-UHFFFAOYSA-N 332.360 1.295 0 40 EDAB O=C(CN1CCC(Oc2ccn3nccc3n2)CC1)NC1CCCC1 2298099647 SJYRIJYMVXMAKW-UHFFFAOYSA-N 343.431 1.631 0 40 EDAB COc1ccc(N2C[C@H](C(=O)NCCc3ccccn3)CC2=O)cc1 30525122 ARYNRHXURPJNDG-CQSZACIVSA-N 339.395 1.802 0 40 EDAB O=C(O)c1cc2cccc(S(=O)(=O)N3CCOCC3)c2cc1O 41919 BSHPBNUQHZVVLK-UHFFFAOYSA-N 337.353 1.265 0 40 EDAB O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1cccc(C(F)(F)F)c1 115533 GRWFLCDCZSHGRM-UHFFFAOYSA-N 346.290 1.208 0 40 EDAB CCOC(=O)N1CCN(C(=S)NC(=O)c2ccc(F)cc2)CC1 52838 UWSROHYIPNUHKL-UHFFFAOYSA-N 339.392 1.615 0 40 EDAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCOCC2)CC1 80826349 WCIIETQXWVBWFD-UHFFFAOYSA-N 344.864 1.825 0 40 EDAB CC(C)[C@H](CN1C(=O)c2ccccc2S1(=O)=O)N1CCOCC1 40496865 HTJGUTQXCQMSIN-AWEZNQCLSA-N 338.429 1.188 0 40 EDAB Cc1ccc([C@@H](CNC(=O)c2cnn(C)c2C)N2CCOCC2)o1 40489428 KLOBTGUKEQTTHP-OAHLLOKOSA-N 332.404 1.433 0 40 EDAB COc1cc2nc(CN3C[C@H](C)OC[C@H]3C)[nH]c(=O)c2cc1OC 40501452 FKWXYMBOIXBQKY-MNOVXSKESA-N 333.388 1.550 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 40554179 XTBBBCOHDWOZCN-HUUCEWRRSA-N 338.429 1.378 0 40 EDAB Cc1cc(C)n(C2CN(CC(=O)/N=c3\cc[nH]n3[C@@H](C)C3CC3)C2)n1 100980287 AHBWCOXVXCZXQS-SHUBJWRZSA-N 342.447 1.585 0 40 EDAB CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2CC(=O)NCc1ccc(F)cc1 4411059 CMQKFRXCWMINRL-AYHJJNSGSA-N 347.434 1.964 0 40 EDAB CC(C)CC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 20737268 UCBMIZRHYUZJJL-AWEZNQCLSA-N 331.416 1.318 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)N1CCCC1 6004372 NKMDRCCMWGQKMB-LBPRGKRZSA-N 339.413 1.566 0 40 EDAB Cc1csc(=O)n1CC(=O)Nc1ccc(N2CCOCC2)nc1 21589532 AUKBSRGSHWPQCK-UHFFFAOYSA-N 334.401 1.089 0 40 EDAB CC(=O)N1CCCN([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 32843200 FTWDMTSPSPDAEG-KGLIPLIRSA-N 335.423 1.946 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCc2ccccc2C)no1 46155095 HPWIRPIFLXFUTB-ZDUSSCGKSA-N 336.413 1.911 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)n1 75129216 FFIPPQCVZPHHDO-SFHVURJKSA-N 342.443 1.378 0 40 EDAB COC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 29754207 XZCQLCZOYXSHMS-LLVKDONJSA-N 344.408 1.375 0 40 EDAB Cc1noc(-c2cccn(Cc3noc(-c4ccco4)n3)c2=O)n1 75166110 HNURHGNLVSKFPN-UHFFFAOYSA-N 325.284 1.898 0 40 EDAB CCOC(=O)C1CCN(C(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)CC1 100267537 MQYZVOOLWRLLRW-QZTJIDSGSA-N 337.416 1.910 0 40 EDAB CC(C)N1CCN(c2ncc3c(n2)-c2cn(C)nc2NCC3)CC1 32918705 QOGOCKDIZINMSQ-UHFFFAOYSA-N 327.436 1.376 0 40 EDAB COc1ccc(C)cc1CN(C)Cc1nc2c(cnn2C)c(=O)[nH]1 52799411 OAYHPKVTHAXISW-UHFFFAOYSA-N 327.388 1.606 0 40 EDAB COc1ccc(CN2CCN(Cc3nnnn3C3CC3)CC2)cc1F 29963857 CWQGHIQTMOQFNE-UHFFFAOYSA-N 346.410 1.474 0 40 EDAB C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 29986396 RSPURIJJXSSMBR-JTQLQIEISA-N 341.433 1.547 0 40 EDAB COc1ccc(C)cc1[C@@H](C)NC(=O)CNC(=O)c1ncccc1O 89612011 DDCRAEYEUUAUAR-GFCCVEGCSA-N 343.383 1.711 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)no3)CC2)cc1 22245791 FPLBOKCDDGIGEL-UHFFFAOYSA-N 335.429 1.798 0 40 EDAB Cc1noc(CCCC(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)n1 46745506 YCEDWQDFHUKFTP-SNVBAGLBSA-N 344.371 1.909 0 40 EDAB COc1ccc(Br)c(CNC(=O)[C@@H]2COCCO2)c1 46737730 BCUABFYXLGCDIJ-LBPRGKRZSA-N 330.178 1.489 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1nnc2n1CCC2 42749728 UMRUSKYPQVHCPA-UHFFFAOYSA-N 348.428 1.290 0 40 EDAB COc1cc(Cn2cnc3snnc3c2=O)cc(OC)c1OC 1417097 IKBQUYKRPZFHMN-UHFFFAOYSA-N 334.357 1.322 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)NC(C)C)c1 25301494 FMJZXCJUYVLQRF-HNNXBMFYSA-N 346.431 1.957 0 40 EDAB O=C(NCCc1ccccn1)c1ccc(CN2C(=O)CCC2=O)cc1 25440074 FXTSQCUAGBJSKL-UHFFFAOYSA-N 337.379 1.703 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2ccc(Br)cc2)n(C)c1=O 1514730 CJMKDTLNGGNKDF-UHFFFAOYSA-N 349.188 1.245 0 40 EDAB CCN(CC)C(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O 12425068 ZCTRTLOWNCTVLJ-CYBMUJFWSA-N 336.413 1.901 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)c2cnn(C)c2)cc1OC 27919386 JDHNNWHYHQVWCE-SNVBAGLBSA-N 325.390 1.477 0 40 EDAB COc1ccc(S(=O)(=O)Nc2nnc[nH]2)cc1Br 61844987 WSACIKCDZWVOFZ-UHFFFAOYSA-N 333.167 1.377 0 40 EDAB C[C@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ccncc1 69920387 NMXZFWWRAOCMOE-JKSUJKDBSA-N 332.448 1.896 0 40 EDAB CC(C)=C[C@@H]1[C@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)C1(C)C 44778065 MSSOCOWATLNWTN-ZIAGYGMSSA-N 328.478 1.765 0 40 EDAB CCOc1c(Cl)cc(C(=O)N[C@H]2CC(=O)N(C)C2)cc1OC 58162390 ZCNFQIZSRHLDOV-JTQLQIEISA-N 326.780 1.708 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3ccc([S@@](C)=O)cc3)CC2)on1 44890395 JCCXTCOZUIWIGJ-DEOSSOPVSA-N 347.440 1.678 0 40 EDAB NC(=O)[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1 10268421 JMASTPDXXFZLHY-KRWDZBQOSA-N 334.379 1.888 0 40 EDAB CCN(Cc1ccccc1)S(=O)(=O)c1cccc(-n2cnnn2)c1 58281791 QFEUDAITUGQLPB-UHFFFAOYSA-N 343.412 1.873 0 40 EDAB CC(C)S(=O)(=O)[C@@H](C)C(=O)NCCOc1ccc2c(c1)CCC2 58227971 PIGJYLDCGCRJMI-ZDUSSCGKSA-N 339.457 1.882 0 40 EDAB O=C(Cn1cnnn1)NC1(c2cccc(Br)c2)CCC1 58227850 COKQDZCMMNFZEM-UHFFFAOYSA-N 336.193 1.631 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C 44911924 DEIJICZQONZALU-AWEZNQCLSA-N 347.440 1.748 0 40 EDAB C[C@H](C(=O)NCc1cccnc1-n1cncn1)n1cnc2ccccc21 44943191 PAJZFYLYFPJYQO-CYBMUJFWSA-N 347.382 1.889 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NC[C@@H]1CCCO1 44966253 MCCGQDLUJJYCJS-YPMHNXCESA-N 341.433 1.215 0 40 EDAB C[C@H](C(=O)NCCC(=O)N1CCCc2ccccc21)n1cncn1 44955553 SZCWDUOMIBBHNJ-CYBMUJFWSA-N 327.388 1.325 0 40 EDAB CC(C)[C@@H](C(=O)NCc1ccc(C(N)=O)cc1)N1C[C@H](C)O[C@H](C)C1 58327213 PGVWWLQGJVXNCF-VBQJREDUSA-N 347.459 1.536 0 40 EDAB O=C(CCNC(=O)c1csc(-c2nc[nH]n2)n1)Nc1ccccn1 58323842 JVQXHHNFDFJNGD-UHFFFAOYSA-N 343.372 1.082 0 40 EDAB CCN(CC)C(=O)CN(C)C(=O)c1cn(-c2ccccc2Cl)nn1 58783645 CMPCULSOALEIAX-UHFFFAOYSA-N 349.822 1.861 0 40 EDAB CC[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 48280124 RXYXJQLGMBZRGH-GXTWGEPZSA-N 326.418 1.633 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccccc2-n2cnnn2)n1 48286869 KARHHMTXABUPOS-GFCCVEGCSA-N 339.403 1.542 0 40 EDAB Cc1c(CCC(=O)N(C)CC(=O)O)c(=O)oc2c(C)c(O)ccc12 3863626 KOLGXDPARSUZIA-UHFFFAOYSA-N 333.340 1.591 0 40 EDAB biogenic CC(C)[C@@H]1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2NC1=O 3887419 DPWJRIASYIFDSA-AWEZNQCLSA-N 339.417 1.096 0 40 EDAB c1csc(-c2nc(CN3CCO[C@@H](Cn4cncn4)C3)co2)c1 70040036 MDHOSKMCTBCTFF-CYBMUJFWSA-N 331.401 1.896 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N1CCC[C@@H](n2cccn2)C1 69327658 DFLPLBJEPHCSQV-CYBMUJFWSA-N 325.434 1.404 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC(=O)N(C)Cc3ccco3)CC2)n1 69348235 JTDABVUPRXORPM-ZDUSSCGKSA-N 347.419 1.308 0 40 EDAB COc1ncccc1C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1 69535491 GSIOLBYRDZEUBE-UHFFFAOYSA-N 337.339 1.627 0 40 EDAB O=C(CCCC(=O)c1ccc(F)cc1)NCC(=O)Nc1cn[nH]c1 69529130 FFAMYBWMYJJAEU-UHFFFAOYSA-N 332.335 1.657 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(F)cc2F)CC1 69584483 ZFUZICMLBJWTCF-HNNXBMFYSA-N 337.370 1.519 0 40 EDAB O=C(COC(=O)C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1 4392830 VRVOHUJXEVABAP-JTQLQIEISA-N 345.804 1.647 0 40 EDAB NC(=O)Cn1cc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cn1 65491155 HARBPOAXZCYGGT-ZDUSSCGKSA-N 342.403 1.016 0 40 EDAB CCN(CC(=O)NC(C)(C)C)S(=O)(=O)Cc1cccc(F)c1 65515547 LIGHOVYPMUFMRK-UHFFFAOYSA-N 330.425 1.892 0 40 EDAB CCCOc1cccc(C(=O)NCCCN2C(=O)C(=O)N(C)C2=O)c1 65535507 QWHILXHGXPCTMM-UHFFFAOYSA-N 347.371 1.016 0 40 EDAB COC(=O)Cc1csc(NC(=O)c2cnn(C)c2C(F)(F)F)n1 65622593 CZNCAPAVCUXYGG-UHFFFAOYSA-N 348.306 1.863 0 40 EDAB CCOc1ncccc1CNC(=O)N1CCC[C@H](c2nncn2C)C1 65625400 JHPPKUQADSXARY-AWEZNQCLSA-N 344.419 1.698 0 40 EDAB COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 14240974 QTIVIOWBKOZOFI-QGZVFWFLSA-N 341.411 1.634 0 40 EDAB C[C@H](NC(=O)[C@@H](C)N1CCN(CCO)CC1)c1ccc(Cl)cc1 69656664 VZCIDSRBZUJJDZ-UONOGXRCSA-N 339.867 1.516 0 40 EDAB CCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC)cc2C)C1 66219360 WKBMEUZCFHROAU-ZDUSSCGKSA-N 347.415 1.317 0 40 EDAB COCCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 6719086 IFYQYAWWDJIIGC-OLZOCXBDSA-N 326.443 1.408 0 40 EDAB Cc1noc([C@H](C)N2CCN(Cc3cn4ccsc4n3)CC2)n1 69776724 URYSGCOKTPNKRE-NSHDSACASA-N 332.433 1.966 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccncc2)n2nc(C)nc2N1 17831999 OJWSWRDJZICJNH-OAHLLOKOSA-N 340.387 1.129 0 40 EDAB O=C(CNC(=O)C1CCCCC1)NCc1ccc2c(c1)OCCO2 17860971 GADBMYVVOXGIIF-UHFFFAOYSA-N 332.400 1.771 0 40 EDAB CC(=O)NCC1CCN(C(=S)Nc2ccc3c(c2)OCO3)CC1 15080549 BJBMEIBEXVSCQI-UHFFFAOYSA-N 335.429 1.960 0 40 EDAB Cc1nnc(O)c(C(=O)NC[C@]2(O)CCCc3ccccc32)c1C 66931140 AAXYUWIUWICAPV-GOSISDBHSA-N 327.384 1.753 0 40 EDAB CS(=O)(=O)Nc1ccc(C(=O)CSc2nncs2)cc1 7026536 YUSQWIUWJNJVSV-UHFFFAOYSA-N 329.428 1.885 0 40 EDAB Cc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C1=O 409299891 SUQJLOLSICDJSD-KHSSZTOVSA-N 327.336 1.181 0 40 EDAB Cc1csc(C2CCN(C(=O)CN3CSCC3=O)CC2)n1 69918340 GRRPIFZZLLQABT-UHFFFAOYSA-N 325.459 1.690 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1 67611555 RMBICIXZIKUVQB-LSDHHAIUSA-N 337.445 1.266 0 40 EDAB NC(=O)[C@H]1CCCN1CC(=O)Nc1ccc(N2CCCCCC2)cc1 8746880 BCCPSEZWCZCSCX-QGZVFWFLSA-N 344.459 1.955 0 40 EDAB O=C(CN1CCc2ccccc21)NCC(=O)Nc1ccc(F)cc1 7600795 NNHNHLBDCYGMOI-UHFFFAOYSA-N 327.359 1.943 0 40 EDAB COc1cc2[nH]c(O)c(C(=O)NC[C@@H]3CCCO3)c(=O)c2cc1OC 8995737 OPJPQQMYUHXZSS-VIFPVBQESA-N 348.355 1.160 0 40 EDAB biogenic Cn1cc([C@@H]2OCC[C@H]2CN[C@@H]2CCN(c3ccccc3)C2=O)cn1 89755273 MKHWKDBEGAKMNW-BMGDILEWSA-N 340.427 1.893 0 40 EDAB CC1CCN(C(=O)CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)CC1 96004429 ZIFXUNFIFZVBBV-HXUWFJFHSA-N 340.423 1.888 0 40 EDAB C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 71903532 NVBLPAQTAUPSEI-WFASDCNBSA-N 347.415 1.436 0 40 EDAB CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCC[C@H](O)C2)c1 71920120 IFRSAQGEUUVFHV-JTQLQIEISA-N 345.396 1.065 0 40 EDAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CC[C@@H]1NC(=O)NC1=O 9451354 FPYYFOSODVLHHG-AWEZNQCLSA-N 331.416 1.931 0 40 EDAB CNS(=O)(=O)CC(=O)N1CC2(CCCC2)c2c(F)cccc21 83601365 XJCFGCMKVCINBK-UHFFFAOYSA-N 326.393 1.533 0 40 EDAB O=C(NCCCNC(=O)C1CCC1)N[C@H]1CCN(C2CCCC2)C1 89818132 BVGDMGVUOARPAC-HNNXBMFYSA-N 336.480 1.609 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@H](C(N)=O)c1ccccc1)C2 71846771 AJVSEJFKHLIHQC-PBHICJAKSA-N 340.379 1.589 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2CC(=O)N(C)Cc2cnn(C)c2)c1 71875935 ZSEJVMVJVFQPIU-INIZCTEOSA-N 330.436 1.048 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C 71870352 UAYWBIQRYUMJKE-ZIAGYGMSSA-N 341.477 1.914 0 40 EDAB CC1CCN(C[C@@H](O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 71824994 JGGCOKMXBWOQJC-APWZRJJASA-N 345.443 1.546 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c1 89960862 FZUJDIBZBJIJMJ-UHFFFAOYSA-N 344.459 1.655 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)c1nnn(-c2ccccc2)c1C1CC1 89938314 LQKXRIFLAINCJH-ZDUSSCGKSA-N 325.416 1.921 0 40 EDAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)OCC(=O)N[C@@H](C)C2CC2)cc1 84068173 FHFOXONWZXLJNW-LBPRGKRZSA-N 343.383 1.546 0 40 EDAB C[C@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)C[C@H]1N1CCOCC1 76051757 DKOBXUNZWGVYEY-GOEBONIOSA-N 346.427 1.527 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)n1 72303617 IAUYKSJLNCTASU-QGZVFWFLSA-N 346.406 1.894 0 40 EDAB O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cnccn1 72404388 HXMYDKZPVRDYBW-UHFFFAOYSA-N 338.411 1.688 0 40 EDAB CC[C@H](NS(=O)(=O)c1cnn(C)c1)[C@@H](O)c1ccccc1F 95433319 FUXITPBNJKBIOD-KBPBESRZSA-N 327.381 1.350 0 40 EDAB COC(=O)[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccccc1 95461799 HKWJOPLSTAITCT-AWEZNQCLSA-N 335.381 1.166 0 40 EDAB CN1C(=O)N[C@@](C)([C@H]2CCCN(CCCc3cnn(C)c3)C2)C1=O 78899302 XVDHFCRMHXOQPP-YOEHRIQHSA-N 333.436 1.005 0 40 EDAB CN(CCOc1cccc(F)c1)[C@@H]1CCN(C2CCOCC2)C1=O 98016344 KWTRBUGTSCUDQG-QGZVFWFLSA-N 336.407 1.916 0 40 EDAB Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(=O)[nH]n2)cc1 98014103 SAHIZHJTQVNQOZ-RHSMWYFYSA-N 327.384 1.976 0 40 EDAB CCN1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3nc(C4CC4)no3)C2)C1=O 95961668 PLVBSEWDUSBXSW-PXAZEXFGSA-N 347.419 1.489 0 40 EDAB CN(Cc1ncnn1C)[C@H](C(N)=O)c1cccc(Br)c1 95978743 SNGOMDMUJSUCMH-LBPRGKRZSA-N 338.209 1.236 0 40 EDAB COc1ccc(OC)c(NC(=O)CNC(=O)COc2ccccc2)c1 9993626 ZAOLIHLENQVTCS-UHFFFAOYSA-N 344.367 1.838 0 40 EDAB CCOc1ccc(CCC(=O)N2CCN(C=O)CC2)cc1OCC 20038874 VBMDNGMMRLEIGD-UHFFFAOYSA-N 334.416 1.717 0 40 EDAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)N2CCCC2)C3)nc1 306138225 RSRTYCRVXAGQIU-OAHLLOKOSA-N 345.447 1.894 0 40 EDAB CN(C)C(=O)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 36396606 SNJFNVGHHLDJHG-AWEZNQCLSA-N 333.388 1.012 0 40 EDAB NC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218626711 VTFMVLIRCLWHFQ-YQQAZPJKSA-N 349.383 1.795 0 40 EDAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCN(CC(N)=O)C2)n1 72383583 XYDWEMYRZVWGQW-ZDUSSCGKSA-N 326.404 1.507 0 40 EDAB O=C(NCC(=O)N1CCOCC1)c1ccc(F)cc1C(F)(F)F 181042702 ILFNPBUGWKJYOR-UHFFFAOYSA-N 334.269 1.433 0 40 EDAB COc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCO3)cc1OC 72227565 XIUVYKPRAGCVGJ-SJORKVTESA-N 342.351 1.848 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)C2(CN)CN)cc1 218047076 PDCYAMKYUIFTQG-SJORKVTESA-N 330.453 1.839 0 40 EDAB COc1ccccc1N1CCN(CC(=O)N[C@@H]2CCSC2=O)C1=O 49026345 UZSGJHIYURPYGN-LLVKDONJSA-N 349.412 1.086 0 40 EDAB CC(=O)N1CCC[C@](O)(CN2CCC(c3nc(C)no3)CC2)CC1 72367444 CYIXQUJGGCGUNN-QGZVFWFLSA-N 336.436 1.321 0 40 EDAB C[C@@H](O)CNC(=O)NCCCN1CCN(c2ccccc2F)CC1 225497337 WYOWNEWSVXDQGM-CQSZACIVSA-N 338.427 1.018 0 40 EDAB COc1ccc2c(c1)CN(S(C)(=O)=O)CC[C@H]1COC(=O)N21 225491329 SQNDYCHZBFLWJM-NSHDSACASA-N 326.374 1.186 0 40 EDAB biogenic,in-vitro C[C@@H]1CCCN(c2ccccc2OC[C@@H](O)CN2CCOCC2)C1 195545853 FCUSUYNDTORAFN-SJORKVTESA-N 334.460 1.995 0 40 EDAB O=C(O)c1[nH]c(=O)n(-c2ccc(F)cc2)c(=O)c1CN1CCCCC1 222663666 BAKNZTCTPCVTHI-UHFFFAOYSA-N 347.346 1.349 0 40 EDAB CN(CC(F)(F)F)C(=O)Cn1ccnc1[C@H](O)c1ccccc1 133688208 LXACLKOATQLJRB-CYBMUJFWSA-N 327.306 1.986 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)[C@@H](C)n1nnc2ccccc2c1=O 85432494 XHMZZEPKBBFHIK-GFCCVEGCSA-N 340.387 1.019 0 40 EDAB C[C@@H](Sc1n[nH]c(CO)n1)C(=O)NCCc1c[nH]c2ccccc12 571842516 JGVCHEODZUIOJS-SNVBAGLBSA-N 345.428 1.618 0 40 EDAB C[C@@H]1[C@H](C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)[C@@H]1c1ccccc1 572167613 LQELDYZAKJLBJS-MXAVVETBSA-N 325.416 1.941 0 40 EDAB CCn1cc([C@@H]2CN(c3nnc(-c4ccon4)s3)CCO2)cn1 225473710 KVSIGWIWGVDLQU-LBPRGKRZSA-N 332.389 1.987 0 40 EDAB O=C(NCC[C@@H](O)c1cccs1)C(=O)NCc1ccc(F)cc1 77115394 XGHLSKKYIOYIHH-CYBMUJFWSA-N 336.388 1.743 0 40 EDAB C[C@H]1OCC[C@H]1S(=O)(=O)N(CCN(C)C)Cc1cccs1 190241771 HPKQRXVQRDFIJA-TZMCWYRMSA-N 332.491 1.619 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cccn2)cc1 96441199 OZFBDVCFJFEJCM-TZMCWYRMSA-N 333.413 1.484 0 40 EDAB CN(C)CC(=O)N1Cc2nc(C(=O)NCc3ccccc3)oc2C1 96266028 MNKXYAYCTNOJHJ-UHFFFAOYSA-N 328.372 1.008 0 40 EDAB Cc1occc1C(=O)N1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 96239217 HEOIYTXUHHADMU-KRWDZBQOSA-N 326.356 1.647 0 40 EDAB C[C@H]1CO[C@H](CO)CN1CCOc1ccccc1Br 93793249 NLUVFVGWOYERPI-RYUDHWBXSA-N 330.222 1.910 0 40 EDAB Cn1cc(-c2nnn3c2CO[C@H](CNC(=O)c2cccs2)C3)cn1 96199178 CEUBBNHBMHRQTM-LLVKDONJSA-N 344.400 1.069 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2cccs2)Cc2ccnn2C1 96189057 ZYILWMVXNGRDQO-CQSZACIVSA-N 348.472 1.681 0 40 EDAB COCCn1c2c(ccc1=O)CCN(C(=O)c1cccc(F)c1)CC2 96196661 VLMVUTBBAWPHAW-UHFFFAOYSA-N 344.386 1.875 0 40 EDAB Cn1ccnc1CN1CCc2ncnc(Oc3cccnc3)c2CC1 96255662 XJJOOMGMYNELJS-UHFFFAOYSA-N 336.399 1.998 0 40 EDAB O=C(N[C@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12)c1cnccn1 96186908 ZVOQINPAIYKALE-ARFHVFGLSA-N 344.440 1.700 0 40 EDAB CN(C)CCOCc1nnn2c1CN(Cc1ccsc1)CCC2 96058822 YHVMYPZZWLZDQG-UHFFFAOYSA-N 335.477 1.824 0 40 EDAB O=C(c1cscn1)N1C[C@@H]2CCCO[C@@H]2[C@H](N2CCOCC2)C1 96040617 ZNMCBRUOZFTEOO-CFVMTHIKSA-N 337.445 1.095 0 40 EDAB Cc1nn(C)c(C)c1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257304567 SMGRUUBDNPIMFW-ROUUACIJSA-N 340.427 1.653 0 40 EDAB CNC(=O)[C@H]1CNCCN1C(=O)CCCc1c[nH]c2ccccc12 257216262 CTSQCFKRQQXJKI-MRXNPFEDSA-N 328.416 1.037 0 40 EDAB CCN(C(=O)CN1CC[C@@]2(CCCO2)[C@@H](O)C1)c1cccc(C)c1 257331336 XSLAWGGGBUPJDM-HKUYNNGSSA-N 332.444 1.964 0 40 EDAB CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)Cc1ccsc1 257237040 HEXSXPZEIITYDT-MRXNPFEDSA-N 332.429 1.180 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3cnn(C)c3)CCO2)n1 257305307 SPIPAPALUZATRX-MRXNPFEDSA-N 329.404 1.403 0 40 EDAB COCc1c(C(=O)N2CCOC[C@@H]2CCc2cnccn2)noc1C 257317518 VKBWCTIACFSRHE-AWEZNQCLSA-N 346.387 1.393 0 40 EDAB Cc1cc(OC(=O)C[C@H](O)[C@](C)(CO)C(=O)O)cc(C)c1Cl 253372430 FHSFGKOTLUEZAH-NHYWBVRUSA-N 330.764 1.696 0 40 EDAB Cc1cc(C(=O)NCCCn2cnc3c(N)ncnc32)cc(C)c1F 585126691 GFAUOYZMPZAEGG-UHFFFAOYSA-N 342.378 1.985 0 40 EDAB CCO[C@@H](C)C(=O)NCCc1ccnc(NC(=O)[C@H](C)OCC)c1 585131323 RNXATUPODASOFP-STQMWFEESA-N 337.420 1.529 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC(c3ccnc4ccnn34)CC2)c1 257283236 OXKGLGPBJQXLRO-UHFFFAOYSA-N 346.416 1.031 0 40 EDAB O=C(COc1ccc(F)cc1)NCCn1ccc2ccoc2c1=O 253400081 KMBQFPUEEZHFTL-UHFFFAOYSA-N 330.315 1.929 0 40 EDAB Cc1ccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)s1 1615615639 SCODWTIFGNXFMT-UHFFFAOYSA-N 329.443 1.476 0 40 EDAB CC(C)(C)OC(=O)N1CC2(CC[C@@H](N[C@@H]3CCc4ncnn4C3)C2)C1 1616031192 JMHINPVMKYNWFB-ZIAGYGMSSA-N 347.463 1.972 0 40 EDAB CCOCC(=O)N1CC2(C[C@H](OCc3cccc(C)n3)CCO2)C1 575406570 YIZKJZGICGFHHJ-MRXNPFEDSA-N 334.416 1.703 0 40 EDAB Cn1cnc2c1C[C@H](CO)N(C(=O)CC1Cc3ccccc3C1)C2 585094882 RYDSNVTWPUCWHP-MRXNPFEDSA-N 325.412 1.471 0 40 EDAB Cn1nnc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)n1 585140276 BMFQCRIVUQAAEU-UHFFFAOYSA-N 327.266 1.702 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)CCn2ccnc2)CCO1 585277076 JSACHKPCWXCPAP-LJQANCHMSA-N 343.427 1.414 0 40 EDAB Cc1ccc(CCC(=O)N(CC(C)C)C[C@@H]2COC[C@@H](O)[C@H]2O)o1 585288203 REIPMHIESZHBCV-KYJSFNMBSA-N 339.432 1.373 0 40 EDAB Cc1oc(C(C)(C)C)cc1C(=O)NCC1(O)CCS(=O)(=O)CC1 933419882 BPVCVDWOMGEDIX-UHFFFAOYSA-N 343.445 1.555 0 40 EDAB CN(CC(=O)Nc1ccc(Br)cn1)[C@H]1CCOC1=O 68451568 AXUXHVORKWOXDN-VIFPVBQESA-N 328.166 1.030 0 40 EDAB Cn1cnc2c1CCN(CCS(=O)(=O)c1ccc(Cl)cc1)C2 69453960 LEWJXULHAHKMJK-UHFFFAOYSA-N 339.848 1.906 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C12CCC2 89985832 USILRUIUALHINH-QWHCGFSZSA-N 344.415 1.648 0 40 EDAB COc1ccc(CNC(=O)NCc2cn(-c3cccnc3)nn2)cc1 585405087 DVZHIELDWJZHCX-UHFFFAOYSA-N 338.371 1.670 0 40 EDAB O=C(NCc1nn[nH]n1)c1ccc(-c2nc3ccccc3s2)o1 599334317 LEXGATBWQGUJGB-UHFFFAOYSA-N 326.341 1.999 0 40 EDAB O=C(CCCCC(=O)NCc1cccnc1)NCc1cccnc1 5936556 HQSKZPDDATXQBR-UHFFFAOYSA-N 326.400 1.970 0 40 EDAB O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1NCCCn1ccnc1 12146515 USKDPIUEMFWRHK-QZTJIDSGSA-N 332.423 1.637 0 40 EDAB COCCNC(=O)Cn1nc2c(C)cc3cc(C)cc(C)c3n2c1=O 12183508 GMLITOVAUAHTJV-UHFFFAOYSA-N 342.399 1.337 0 40 EDAB Cc1nc(C)n(CCNC(=O)[C@]2(C)CC(c3ccccc3)=NO2)n1 12195673 LDNFNYNHVHBGOK-KRWDZBQOSA-N 327.388 1.594 0 40 EDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCCO 12901342 ZHEMEHYOUDWYMN-UHFFFAOYSA-N 345.399 1.000 0 40 EDAB biogenic N[C@H](CS[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O)C(=O)O 16899921 WFTJNLHOQWRRIF-PSASIEDQSA-N 328.777 1.117 0 40 EDAB CCNC(=O)Nc1nc(NC(=O)NCC)nc(-c2ccccc2)n1 19074511 XAGQEZMVIKRRAN-UHFFFAOYSA-N 329.364 1.821 0 40 EDAB Cc1nn(C)cc1-c1cc(C(=O)NCCn2nc(C)c(C)c2C)on1 19557255 TWINIVXIWIENEF-UHFFFAOYSA-N 342.403 1.935 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccc(C)nc2)CCN(C2CCOCC2)C1 607854391 VARURTSRMOBAOS-QGZVFWFLSA-N 346.475 1.049 0 40 EDAB O=C(Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1)c1ccccc1 1612175 ZNZDAJZEPSQWJN-QWHCGFSZSA-N 339.355 1.749 0 40 EDAB in-vitro COC(=O)[C@](C)(CO)NS(=O)(=O)c1csc2ccccc12 583652039 XHFTYUJHCSWFNF-ZDUSSCGKSA-N 329.399 1.104 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)c2ccc3nccnc3c2)C[C@H](C)O1 5422162 QTUBWRPYHSYAGY-RYUDHWBXSA-N 329.356 1.422 0 40 EDAB Cc1ccc(NC(=O)NC(=O)CSc2nc(N)cc(=O)[nH]2)c(C)c1 6506436 LHKRGUBXPYSQOB-UHFFFAOYSA-N 347.400 1.409 0 40 EDAB COc1ccnc(N2CCN(c3nc(C)nc4cnccc34)CC2)n1 1889139429 WESPOJPQKLKJSF-UHFFFAOYSA-N 337.387 1.458 0 40 EDAB CN1CCN([C@H](CNC(=O)CCn2cccn2)c2cccs2)CC1 40505187 BIXHPYACUOCVML-OAHLLOKOSA-N 347.488 1.440 0 40 EDAB O=C(NCCCn1ccnc1)c1ccc(OCC2CCOCC2)nc1 244975136 IDBIPWKSZNGAQF-UHFFFAOYSA-N 344.415 1.904 0 40 EDAB COc1cnc(O[C@@H]2CCN(c3cc(C)nc4cc(C)nn34)C2)nc1 2087030033 DZPMWVRQKLFWCJ-CYBMUJFWSA-N 340.387 1.802 0 40 EDAB COC[C@@H]1CN(C(=O)CCc2ccc[nH]2)Cc2nnn(CC3CC3)c21 2055750993 VJLMZKIAFYKNPX-AWEZNQCLSA-N 343.431 1.721 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cn1 69967385 CMALELGXIOISGN-ZYHUDNBSSA-N 344.337 1.494 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](CSCNC(=O)C(C)(C)C)C(=O)O 2526264 TUQSUOZLBYSIKY-VIFPVBQESA-N 334.438 1.817 0 40 EDAB COc1cccc(-c2noc(C(=O)NCc3cnn(C)c3C)n2)c1 2732772 PFSPLLNLMGUMHD-UHFFFAOYSA-N 327.344 1.717 0 40 EDAB O=c1n(Cc2noc(-c3cccs3)n2)nnn1-c1ccccc1 31765271 KHHQBIVMARHGRL-UHFFFAOYSA-N 326.341 1.589 0 40 EDAB C[C@H](NC(=O)NCc1ccc(N2CCCCC2)nc1)c1nncn1C 45877775 KDGAHQPCOHAVSY-ZDUSSCGKSA-N 343.435 1.761 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C[C@H]2C(=O)O)cc1F 107779222 CKRKNHIBJXMXKS-FZMZJTMJSA-N 344.408 1.302 0 40 EDAB C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1C[C@H](O)CN1 37024970 BSUPASSHSJJZIZ-ICCXJUOJSA-N 327.222 1.219 0 40 EDAB COc1ncccc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69952274 LZCLUFJDXIZARA-QGZVFWFLSA-N 341.411 1.582 0 40 EDAB CC(C)CCNC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1 32777737 INRWTIYAXRALHX-SNVBAGLBSA-N 347.462 1.226 0 40 EDAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2cnccn2)cc1 8493970 XVCCHIIQTKABMS-UHFFFAOYSA-N 327.340 1.195 0 40 EDAB COCCCN1CN(n2c(C)nnc2C)Cn2c1nc1ccccc12 9262132 OMBQAGMDGJGFRO-UHFFFAOYSA-N 341.419 1.654 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCO1 479578 PWPJQHIJLAWVBT-OAHLLOKOSA-N 338.429 1.979 0 40 EDAB O=C(NCCCn1cncn1)c1ccc(OC[C@H]2CCCO2)cc1 41862267 CVTGSRIFPHPWAZ-MRXNPFEDSA-N 330.388 1.656 0 40 EDAB Cc1csc(CN(C)S(=O)(=O)c2cc(Cl)cnc2N)n1 89705575 OKKFWDOSUOENON-UHFFFAOYSA-N 332.838 1.903 0 40 EDAB O=C(Nc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1)NC1CC1 42041418 GJQWNKKSLPVOLL-UHFFFAOYSA-N 345.399 1.950 0 40 EDAB COCC(=O)[C@H](C(C)=O)C(c1ccncc1)[C@@H](C(C)=O)C(=O)COC 104142818 PIHFUTAWJFQTEM-IRXDYDNUSA-N 349.383 1.007 0 40 EDAB COc1cc(OC)cc(C(=O)NCCS(=O)(=O)c2ccccc2)c1 47385960 KSAVKJPHYSKLOJ-UHFFFAOYSA-N 349.408 1.908 0 40 EDAB NC(=O)CSCCC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 23101064 FMWKOWWOEFPHCZ-AWEZNQCLSA-N 338.429 1.792 0 40 EDAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N[C@@H]1C[C@H](O)[C@H](CO)C1 107287326 FKNCOHSNOCYUGQ-RBOXIYTFSA-N 333.363 1.088 0 40 EDAB CC(C)[C@@H](NC1CCOCC1)C(=O)Nc1ccc2oc(=O)n(C)c2c1 76083150 FVEYMHQZUHPBOA-MRXNPFEDSA-N 347.415 1.863 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 42533602 TWLVVKDCIFVXFO-UONOGXRCSA-N 330.388 1.533 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1ccc(Cn2ccnc2)o1 104108028 CORKGDMFDRXZAR-RKLWJJNISA-N 343.383 1.842 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 23641821 UOMSNKYRPPBELQ-UHFFFAOYSA-N 345.355 1.276 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)no1 78892998 FCPWMHGJISHJKY-NEPJUHHUSA-N 348.407 1.625 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccnc(-n2cncn2)c1 54705960 PBDGBWBSSVZPOO-DZGCQCFKSA-N 329.404 1.987 0 40 EDAB C[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)OCCCO2 78899022 XESQWKKXFFAJJT-YPMHNXCESA-N 326.418 1.076 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCC3(N(C)C)CCCC3)CC2)on1 43147250 KHJVRLKWGPZTSG-UHFFFAOYSA-N 349.479 1.685 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@H](C)NC(=O)c2ccco2)C1 106088424 VSYRRVYVZOFAMW-ZNMIVQPWSA-N 335.448 1.882 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CCO2)n1 78889516 JKQFVJWWUFTYMI-MCIONIFRSA-N 344.419 1.365 0 40 EDAB CN(Cc1nc2ccccc2[nH]1)C(=O)Cn1cnc2ccccc2c1=O 12544716 PAGJCZDPCFWUCR-UHFFFAOYSA-N 347.378 1.931 0 40 EDAB Cc1ccccc1CCNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 43478703 XTEJZQUZJSBUDB-OAHLLOKOSA-N 339.461 1.261 0 40 EDAB COc1cccc(N2CC[C@@H](CNC(=O)NC[C@H]3CCOC3)C2)c1 106763040 NPHPYHXJPGSNRR-LSDHHAIUSA-N 333.432 1.857 0 40 EDAB CSc1nc2nc(C)c(CC(=O)NC[C@@H]3CCCO3)c(C)n2n1 25182715 ZNKAHHHKYVNJKR-NSHDSACASA-N 335.433 1.301 0 40 EDAB CCCCNC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209389 RGGBIBOURDYCNR-AWEZNQCLSA-N 338.429 1.591 0 40 EDAB C[C@H](CNC(=O)CN1CCSC1=O)N1CCc2ccccc2C1 25635987 ZPIKPQFCJYUZQW-CYBMUJFWSA-N 333.457 1.718 0 40 EDAB Cn1cccc1[C@H]1CCCCCN1C(=O)Cn1ccc(=O)[nH]c1=O 25712214 NXKFZYQEJUNJTA-CQSZACIVSA-N 330.388 1.019 0 40 EDAB Cc1ccc(CN(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c(C)c1 25774372 XYHFVJDIAMCZKS-CMDGGOBGSA-N 341.411 1.373 0 40 EDAB Cc1ccc(CNC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 26280912 HDUVVDBWOBIYDX-UHFFFAOYSA-N 325.434 1.218 0 40 EDAB CCn1c(=O)c2ccccc2n2c(Cn3cc(Cl)cn3)nnc12 58155986 GOVDSESHPDXKLL-UHFFFAOYSA-N 328.763 1.962 0 40 EDAB CS(=O)(=O)N1CCCc2cc(C(=O)NCCn3ccnc3)ccc21 44889953 RMFWSTFOBFWPRD-UHFFFAOYSA-N 348.428 1.025 0 40 EDAB CC(C)OCCC(=O)N[C@@H](C)c1ccc(-n2cc(C(N)=O)nn2)cc1 58230085 QOHKGJUPGIFMJO-LBPRGKRZSA-N 345.403 1.359 0 40 EDAB CN(CC(=O)NCCN1CCCc2ccccc21)C(=O)c1ccco1 58265430 NLLCKCQYWXLAJW-UHFFFAOYSA-N 341.411 1.921 0 40 EDAB CNC(=O)CN1CCC(NC(=O)C[C@H](C)CCc2ccccc2)CC1 58291991 WZNVRYCUTMJRNX-MRXNPFEDSA-N 345.487 1.972 0 40 EDAB COc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 37866480 QBIXQUUWHHOLLI-BGTSTNQPSA-N 345.351 1.375 0 40 EDAB CCOCCO[C@H](C)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 58325972 AXXWSJIWJGVYRW-CQSZACIVSA-N 349.431 1.244 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 409299495 ZYYVRJIQRXHSBZ-XJIUQZFPSA-N 347.754 1.716 0 40 EDAB O=C1CN(c2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2)CCN1 36393359 NDNBYFLRDHFCJZ-UHFFFAOYSA-N 337.379 1.810 0 40 EDAB O=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)NCC(F)(F)F 3356159 FXMURMBDCPDRAK-UHFFFAOYSA-N 348.302 1.566 0 40 EDAB COc1ccccc1[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1nccn1C 48325595 XLALWRYHVGUPFY-MRXNPFEDSA-N 338.367 1.636 0 40 EDAB CCCOc1ccc2c(c1)OCC(C(=O)N1CCC[C@@H](C(N)=O)C1)=C2 48311110 RDADEMMHYHMZAP-CQSZACIVSA-N 344.411 1.975 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)c1 12857249 VDWCQZVSVROUKK-INIZCTEOSA-N 340.489 1.939 0 40 EDAB CC(=O)N1CCc2cc(NC(=O)Cn3c(C)csc3=O)ccc21 12930270 OZJFRMBHFBKUPQ-UHFFFAOYSA-N 331.397 1.766 0 40 EDAB C[C@@H](SCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 68729716 BOQSHKZOHSOMSL-ZWNOBZJWSA-N 331.434 1.923 0 40 EDAB CC(C)Oc1ncc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1Cl 70020844 WOUNOSVMYXHMFX-GFCCVEGCSA-N 341.839 1.661 0 40 EDAB O=C(Nc1cccc(N2CCCC2=O)c1)N[C@@H]1CCS(=O)(=O)C1 69352204 ANWQKMMUDVKUPK-GFCCVEGCSA-N 337.401 1.122 0 40 EDAB COc1cc(OC)c(C2=CCN(S(N)(=O)=O)CC2)c(OC)c1 65434263 KBHBLEKKXDXMAU-UHFFFAOYSA-N 328.390 1.005 0 40 EDAB Cc1csc(N2CCC(C(=O)NCCNc3ncccn3)CC2)n1 65407459 LNXIVDZZTPYCSQ-UHFFFAOYSA-N 346.460 1.686 0 40 EDAB CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1 65550007 YNRKSYPTJGCPPQ-GWCFXTLKSA-N 346.449 1.804 0 40 EDAB c1ccc(-n2nnnc2CSc2nnnn2C[C@H]2CCCO2)cc1 14142227 GFRHVRYAKFIPQM-GFCCVEGCSA-N 344.404 1.120 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(N2CCCC2)nc1 69519747 PLLIRYYVYPHRTE-MRXNPFEDSA-N 338.411 1.508 0 40 EDAB O=C(COc1ccc(Br)cc1)OCCN1CCCC1=O 5517440 PEHXSOCJNOWZEG-UHFFFAOYSA-N 342.189 1.994 0 40 EDAB O=C(CCc1ccccc1)N1CCN(C(=O)Cc2ccccn2)CC1 69653936 HSGZSXUGENMUOT-UHFFFAOYSA-N 337.423 1.928 0 40 EDAB COCCn1ccc(NC(=O)NCc2cccc(OC)c2OC)n1 69697933 CCODSXSNGCDOLF-UHFFFAOYSA-N 334.376 1.868 0 40 EDAB Cn1cccc1C(=O)N1CCCN(Cc2ncc(Cl)n2C)CC1 69655809 ZWEOOQNQFMIDEV-UHFFFAOYSA-N 335.839 1.760 0 40 EDAB Fc1ccc(CN2CCCN(c3ccc4nnnn4n3)CC2)cc1 8708817 RARWFNNUTLLDQN-UHFFFAOYSA-N 327.367 1.371 0 40 EDAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 5867853 JNJFUCMFDVZVTC-UHFFFAOYSA-N 348.380 1.438 0 40 EDAB Cn1c(=O)c2c(-c3ccccc3Cl)n(CCCO)cc2n(C)c1=O 15083272 SRNXSOYNNRHPKV-UHFFFAOYSA-N 347.802 1.742 0 40 EDAB Cc1ccc(C(=O)NCCCNS(=O)(=O)c2ccccc2)cn1 4985700 QODAQFDVYQUOLW-UHFFFAOYSA-N 333.413 1.488 0 40 EDAB CN(c1cccnn1)C1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 69849567 WJCIALHWTYNURX-UHFFFAOYSA-N 345.428 1.378 0 40 EDAB CC(=O)N1CCC(NC(=O)CNC2(c3ccc(F)cc3)CCC2)CC1 69815966 VTUKQZNOYRCJDN-UHFFFAOYSA-N 347.434 1.922 0 40 EDAB CC(CO)(CO)NCc1cnn(-c2ccc(Br)cc2)c1 96501162 XFLZQJQLOHIVLT-UHFFFAOYSA-N 340.221 1.468 0 40 EDAB CCN1C(=O)NC(=O)[C@@]2(Cc3c(ccc4ccccc34)N(C)C2)C1=O 8974365 QZBOMVMOYQGXBB-IBGZPJMESA-N 337.379 1.917 0 40 EDAB O=C(N[C@@H](CO)Cc1ccccc1)C1CCN(c2ncccn2)CC1 8992500 XWRUEQWFEZYTTR-QGZVFWFLSA-N 340.427 1.413 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N(CC1CC1)[C@@H](C)c1ccccc1 71185877 DEVGAUSDXYFBIL-ZDUSSCGKSA-N 331.416 1.239 0 40 EDAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1cn(C)nc1C 71282221 HSQVUMYMWABDLC-NSHDSACASA-N 331.376 1.920 0 40 EDAB NC(=O)NC1CCN(C(=O)c2cccc(Br)c2)CC1 78954542 ZOCQGULQMISZJZ-UHFFFAOYSA-N 326.194 1.722 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(Br)cn1)[C@H]1CCCO1 71914121 SYGPNQAQGSQONZ-PSASIEDQSA-N 335.223 1.690 0 40 EDAB C[C@H](Cc1c(F)cccc1F)NS(=O)(=O)N(C)C1CCOCC1 71916202 SPSRZEPAMXKQAY-LLVKDONJSA-N 348.415 1.841 0 40 EDAB O=CN(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1 9423404 ZPWNVZXDDHLRGH-UHFFFAOYSA-N 325.434 1.246 0 40 EDAB C[C@@H](c1nc2ccccc2n1C(F)F)N(C)CCNS(C)(=O)=O 96443348 RASDKBLUJSIUJA-JTQLQIEISA-N 346.403 1.973 0 40 EDAB Cc1cnn(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 71821500 GEJDEJDUCDEJRP-UHFFFAOYSA-N 340.427 1.471 0 40 EDAB COc1ccc(C)cc1N1C[C@H](C(=O)N2CCC(OC)CC2)CC1=O 71881412 NOCBJBFXEDSRLW-CQSZACIVSA-N 346.427 1.994 0 40 EDAB Cc1nc(NC(=O)[C@@H]2CCOC2)ccc1I 79023006 DDNQCOWEMSXRFI-MRVPVSSYSA-N 332.141 1.970 0 40 EDAB O=C(c1cccnc1N1CCOCC1)N1CCC[C@H]1Cn1cccn1 72279998 BBVRXUYLKKBSTD-HNNXBMFYSA-N 341.415 1.420 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N3CCN=C3SC)CC2=O)cc1 72297901 RPQOVGQNKUUSRI-CYBMUJFWSA-N 347.440 1.605 0 40 EDAB O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(=O)[nH]n2)CC1 72289198 LGOPOBKSHUMCES-UHFFFAOYSA-N 333.779 1.777 0 40 EDAB Cc1ccccc1[C@H](O)CNC(=O)c1ccc(S(C)(=O)=O)cc1 72281241 DUFAJRKWWVFYER-MRXNPFEDSA-N 333.409 1.862 0 40 EDAB O=C(N[C@H]1CCC[C@H]1O)c1nn(-c2ccccc2)cc1CCCO 97104325 VVKKYGHJQOZZQO-JKSUJKDBSA-N 329.400 1.440 0 40 EDAB COC[C@@H](C)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 72305154 QRFUAYOQBNVJSQ-OCCSQVGLSA-N 330.425 1.603 0 40 EDAB Cc1cc2c(cc1C)O[C@@H](C(=O)NCCc1nncn1C1CC1)C2 72302882 DMWQSSMFOORPFD-MRXNPFEDSA-N 326.400 1.892 0 40 EDAB C[C@H](C(=O)NCc1ccc(-c2nnn[nH]2)cc1)N1CCCCCC1 95404260 ALYQJZDRABWYPF-CYBMUJFWSA-N 328.420 1.747 0 40 EDAB O=C(CCC(=O)N1CC[C@](O)(C(F)(F)F)C1)Nc1nccs1 73921221 OUMAXLLNAAFHGI-LLVKDONJSA-N 337.323 1.388 0 40 EDAB CO[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 89274042 CFWMFNOZHQLTPV-CABZTGNLSA-N 330.306 1.740 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc2c(c1)OCO2 23152660 KBUYDXLMLAKRQM-UHFFFAOYSA-N 337.339 1.250 0 40 EDAB O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCOC2(CCOCC2)CC1 547423975 DYSRMKJPGJVXFT-AWEZNQCLSA-N 334.420 1.248 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)c(C)n1-c1cnccn1 529266831 CWPLTUAWDKCGAJ-RISCZKNCSA-N 327.388 1.281 0 40 EDAB O=C(NCCCN1C(=O)CNC1=O)c1sccc1Br 78712855 MGPJIRDOXPXOTE-UHFFFAOYSA-N 346.206 1.182 0 40 EDAB C[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1CNc1ncccn1 1039870941 MSJJGNHXSFEWIX-DGCLKSJQSA-N 342.403 1.114 0 40 EDAB Cc1[nH]c(N2CCN(C)CC2)nc1C(=O)c1ccc(C(=O)O)cc1 72319655 ORHPUENJMOFTPY-UHFFFAOYSA-N 328.372 1.399 0 40 EDAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(CC)cc1 218438541 BRXZXGWTOHDPCK-DZKIICNBSA-N 325.430 1.410 0 40 EDAB COc1ccc(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)n(C)n2)cc1 79479034 FYEOTNCAXNGTOP-GFCCVEGCSA-N 349.412 1.013 0 40 EDAB CN(CCC(=O)Nc1ccc2c(c1)OCCO2)CCC(=O)N(C)C 72400426 KMVQCOMIXWSQBV-UHFFFAOYSA-N 335.404 1.197 0 40 EDAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2C)cc1 32508581 HCOYKRZHNYSYTE-OLZOCXBDSA-N 326.443 1.395 0 40 EDAB CCN(C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CN 79392915 HQQBSBJDMPDQRP-MRXNPFEDSA-N 333.432 1.985 0 40 EDAB CSc1ccccc1NC(=O)C1CN(C(=O)c2cnccn2)C1 70842316 HMQWYELRTFYEOG-UHFFFAOYSA-N 328.397 1.909 0 40 EDAB CNc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccccc1 217713676 WJUAAWIQYBBTGK-UHFFFAOYSA-N 334.397 1.948 0 40 EDAB O=C(COc1ccc(Cl)cc1)N1CCN(CCn2cccn2)CC1 62021984 VBYYKUNWAUKCLC-UHFFFAOYSA-N 348.834 1.760 0 40 EDAB O=C(Cn1cnnn1)NCC1(c2ccccc2Br)CC1 78171363 ZKZPWGWCCMIBTM-UHFFFAOYSA-N 336.193 1.284 0 40 EDAB CC(C)S(=O)(=O)CC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 79358483 VPQRILAITVPGSH-INIZCTEOSA-N 338.473 1.937 0 40 EDAB C[C@H](Oc1ccccc1Br)C(=O)N1CCS(=O)CC1 79001082 JQCHKLXXMMNVSF-JTQLQIEISA-N 346.246 1.807 0 40 EDAB CCc1nn(C)cc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(C)n1 1062540481 YBGJNGFFPAGKBQ-KBPBESRZSA-N 340.431 1.493 0 40 EDAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCCOC)ccc21 225866506 NQOBDEWTYURXOF-UHFFFAOYSA-N 339.417 1.400 0 40 EDAB CCOC(=O)N1CCN(C(=O)C[C@H](CC(=O)O)c2ccccc2)CC1 226750230 YUFZETOJORQBKI-OAHLLOKOSA-N 348.399 1.936 0 40 EDAB Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N2 40386767 IENZBYAUICJGTF-QMMMGPOBSA-N 337.742 1.976 0 40 EDAB COc1ccccc1CNC(=O)[C@@H]1CSc2ncc(C)c(=O)n2C1 85473626 RQSFQWNDVJKHMK-ZDUSSCGKSA-N 345.424 1.599 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)Nc2cccnc2)cc1Cl 226688019 QJMSCSJPFZVCRS-UHFFFAOYSA-N 341.776 1.400 0 40 EDAB Cc1cc([C@](C)(O)CNC(=O)c2nc3nccc(C)n3n2)c(C)o1 80899467 ICWFGKFUJFDJAP-MRXNPFEDSA-N 329.360 1.280 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cn2)cc1C 226686019 AOOIYNUCQHEUCR-UHFFFAOYSA-N 349.412 1.624 0 40 EDAB CC(C)(C)N1C[C@H](C(=O)N2CCNC[C@H]2c2ccncc2)CC1=O 333323338 UVLXPHDFOKJLES-CABCVRRESA-N 330.432 1.202 0 40 EDAB O=C(CCOCC(F)(F)F)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 96414030 GJIAZLMISYKSMJ-SSDOTTSWSA-N 336.232 1.235 0 40 EDAB CCN1CCCN(C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 96495500 JKBPPYNXBVLDOI-KRWDZBQOSA-N 340.489 1.325 0 40 EDAB CCn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1ccnnc1)C2 96198368 KUTDTQNAOFAMTJ-INIZCTEOSA-N 341.415 1.859 0 40 EDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccoc3)CC2)O1 96036742 AMJUKPDUCQCNDZ-CQSZACIVSA-N 330.388 1.112 0 40 EDAB CCNC(=O)N[C@H]1CN(Cc2ccc3ccccc3n2)C[C@@H]1OC 96412967 DEKRONOASCMDAD-IRXDYDNUSA-N 328.416 1.753 0 40 EDAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(c1ccccn1)CC2 96199845 LYUMNEYUHDPVQP-HNNXBMFYSA-N 325.416 1.800 0 40 EDAB COCC(=O)N1CCc2ccc(=O)n(Cc3cccc(C)n3)c2CC1 96196734 RGXQOPQETHRMDV-UHFFFAOYSA-N 341.411 1.174 0 40 EDAB COCCn1cc2c(n1)[C@@H](CNCc1cccc(OC)c1)OCC2 96044327 APVVWHBSWLLIIG-QGZVFWFLSA-N 331.416 1.942 0 40 EDAB O=C(NC1CCC1)C1=NO[C@@]2(CCN(C(=O)Cc3cccs3)C2)C1 96225566 REHASWBTLFFOPM-KRWDZBQOSA-N 347.440 1.707 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c(F)cc(F)cc2F)C1 92771040 ZVOUTQGOQCGXOM-SECBINFHSA-N 336.335 1.258 0 40 EDAB CN(CCCNC(=O)NC[C@@](C)(O)c1cnn(C)c1)c1ccccc1 96421406 QPWNWVCUYRQBOS-GOSISDBHSA-N 345.447 1.453 0 40 EDAB O=C(c1ccnnc1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96220348 VMFIZUJXVFHOBL-LZWOXQAQSA-N 326.356 1.323 0 40 EDAB CS(=O)(=O)NCc1cnc2n1CCN(Cc1ccsc1)CC2 96197017 QDCHJCUUHJYOST-UHFFFAOYSA-N 340.474 1.052 0 40 EDAB Cc1nc2ncccc2c(=O)n1CCNC(=O)/C=C/c1ccccc1 96116271 WPRJHKVXGQFRDN-MDZDMXLPSA-N 334.379 1.930 0 40 EDAB biogenic CC(C)c1nnnn1CC(=O)NC1(c2ccc(F)cc2)CCOCC1 96444997 IJQQSECSWPUMTI-UHFFFAOYSA-N 347.394 1.758 0 40 EDAB Cn1ccc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2ccncc2)n1 248162269 YBWJECACFQQWQT-OAHLLOKOSA-N 342.399 1.263 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 247874549 SKLNBBXIJFPABG-ZDUSSCGKSA-N 338.429 1.818 0 40 EDAB O=C(N=c1nc(C2CC2)[nH]o1)C1CCN(C(=O)N2CCCC2)CC1 584906937 XDEQSSMYRXUCGB-UHFFFAOYSA-N 333.392 1.235 0 40 EDAB Cc1ccccc1CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 585086192 BRWGIPFKHYXEAU-UHFFFAOYSA-N 345.490 1.085 0 40 EDAB COCc1ccccc1S(=O)(=O)N1[C@@H](C)[C@H](C)N(C)C(=O)[C@H]1C 585129680 RRBPBIHMGMGKDA-RWMBFGLXSA-N 340.445 1.461 0 40 EDAB CC(C)(C)CN1CCC[C@@H](N2CCO[C@@H](Cn3ccnn3)C2)C1=O 585115936 AIJVSBWLMMHYQR-HUUCEWRRSA-N 335.452 1.016 0 40 EDAB Nc1ncnc2c1ncn2[C@H]1CCN(C(=O)C2CCCC2)CC[C@@H]1O 257343898 ZUUZOEDIQLAHEH-STQMWFEESA-N 344.419 1.123 0 40 EDAB CCc1cc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)no1 257286711 PMSBINOARIOJCW-HNNXBMFYSA-N 343.374 1.545 0 40 EDAB CS(=O)(=O)c1cnc2nc(C(F)(F)F)nn2c1[C@H]1CCCNC1 257231978 GIWIAZFYBFSLDK-ZETCQYMHSA-N 349.338 1.014 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)C3(C)CCN(C)CC3)CCO2)nc(C)n1 257218623 DDUXOBSVTWLXNB-INIZCTEOSA-N 332.448 1.725 0 40 EDAB CO[C@@]1(C(=O)O)CCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 530149346 GPOVVUNIIUQHEX-ZDUSSCGKSA-N 333.793 1.345 0 40 EDAB CC(C)c1cc(NC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)no1 266362410 HFWTVQLDKTYKBI-LLVKDONJSA-N 346.391 1.849 0 40 EDAB CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NC[C@@H](C)c1nccs1 1616033956 DWCPHUWQYGQPRJ-OUAUKWLOSA-N 332.447 1.365 0 40 EDAB O=C(NC1CCN(C[C@@H]2CCOC2)CC1)c1cnn2ccccc12 605560058 GWZWRVQIOQPRDN-AWEZNQCLSA-N 328.416 1.565 0 40 EDAB C[C@@H]1c2nnc(COc3ccccn3)n2CCN1Cc1cnn(C)c1 585098335 WMRCINRAOFUDFO-CYBMUJFWSA-N 339.403 1.562 0 40 EDAB Cc1cccc(OC[C@]2(O)COCCN(C(=O)c3conc3C)C2)c1 585279307 XUSAZWDSDFDXKA-GOSISDBHSA-N 346.383 1.574 0 40 EDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2S(=O)(=O)c2cn(C)cn2)cc1 585275809 HGRKYMMSVDWTHQ-HOTGVXAUSA-N 349.456 1.485 0 40 EDAB O=C(c1csnn1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 585108842 ULDLWOBTWBYLSR-KKUMJFAQSA-N 346.412 1.522 0 40 EDAB C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCO1)c1ccc2c(c1)NC(=O)CO2 41375215 DUXVTOKKHVKRNI-MJVIPROJSA-N 333.388 1.945 0 40 EDAB CC(C)[C@@H](CNS(=O)(=O)c1cccs1)N1CCN(C)CC1 49736955 TUGNPCVDYSUFHL-CYBMUJFWSA-N 331.507 1.298 0 40 EDAB Cc1ccc(-c2cc(C(=O)NC[C@](C)(O)c3cnn(C)c3)[nH]n2)cc1 76092442 GGLIYMMMMZFQRC-SFHVURJKSA-N 339.399 1.756 0 40 EDAB C[C@@]1(C2CCN(C(=O)c3ccc(Cl)s3)CC2)NC(=O)NC1=O 80923444 QQOKCVXCSHYKQB-AWEZNQCLSA-N 341.820 1.852 0 40 EDAB O[C@H](CN1CCOCC1)Cn1nnc2cc(Cl)c(Cl)cc21 89585587 JLZMOXRERWSBBF-SECBINFHSA-N 331.203 1.431 0 40 EDAB Cn1nccc1C(=O)N1C[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 585614830 ZBEIKMGQUDHSKY-ZIAGYGMSSA-N 338.415 1.296 0 40 EDAB O=S1(=O)C[C@H](c2ccccc2)CN1Cc1nnc2n1CCCC2 1615001794 ZHUKJYPCKLGHAX-CQSZACIVSA-N 332.429 1.544 0 40 EDAB CN(CCNS(=O)(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccn1 1615586139 QMWGESIQDSFEIR-HZPDHXFCSA-N 331.441 1.993 0 40 EDAB O=C(N[C@@H]1CCOC[C@@H]1N1CCCC1)c1ccc(OC(F)F)cn1 1616032440 OLOUUPMBQQQJRZ-OCCSQVGLSA-N 341.358 1.666 0 40 EDAB CO[C@H](CCSC)CNC(=O)C(=O)Nc1ccc(F)cc1F 1775968741 UFEGSKHXQBSEGM-SNVBAGLBSA-N 332.372 1.788 0 40 EDAB C[C@H](C(=O)NCCCc1ccc(F)cc1)N1C(=O)NC(C)(C)C1=O 12193618 XZILUVPBMAAAHH-LLVKDONJSA-N 335.379 1.593 0 40 EDAB Cc1nn(C)cc1CN1CCc2nc3ccc(F)cc3c(=O)n2CC1 19583913 ZZIDTCPITLCSOI-UHFFFAOYSA-N 341.390 1.636 0 40 EDAB O=S(=O)(CCC(F)(F)F)N1CCC[C@@H](Oc2ncccn2)C1 575605709 RUBQCHQENNXHJT-SNVBAGLBSA-N 339.339 1.602 0 40 EDAB O=C([C@H]1CCOC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 575605467 QBWDOCXGGPTZDI-JTQLQIEISA-N 330.310 1.181 0 40 EDAB COc1ccnc(N2C[C@@H]3CN(c4ncnc5cnccc45)C[C@H]3C2)n1 1888879524 FSSRCIRYXVDVRW-STQMWFEESA-N 349.398 1.396 0 40 EDAB NC(=O)c1cccc(CNC(=O)c2cn(Cc3ccccc3)nn2)c1 25334031 YDIQLQLUIKKXCV-UHFFFAOYSA-N 335.367 1.355 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CC(COc2cccnc2)C1 1775995109 CBXGNPGIVHNICT-KRWDZBQOSA-N 326.352 1.759 0 40 EDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cccc(F)c1 2037971218 XQFZCZOPUMBGQM-ZSYWTGECSA-N 331.387 1.335 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(c5ncncc5F)C[C@H]4C3)n1)CCC2 2086954050 FAZUGFFLNYJHQA-CHWSQXEVSA-N 340.406 1.775 0 40 EDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@]1(O)CCCc2occc21 1565523841 YICXUVURAPJYOR-GOSISDBHSA-N 346.358 1.375 0 40 EDAB O=C(CSc1nc(=O)n2ccccc2n1)Nc1ccccc1F 4499734 AQTIVDOECJWEIZ-UHFFFAOYSA-N 330.344 1.959 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@@H](Oc2cnccn2)C1 225797348 ABFGDGGXYKEQDW-CYBMUJFWSA-N 347.396 1.254 0 40 EDAB C[C@H]1CN(c2cc(C(F)(F)F)ncn2)CCN1Cc1cnn(C)c1 2298028485 GAGLIFZLAKMYFX-NSHDSACASA-N 340.353 1.940 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)NCc1ccc2c(c1)OCO2 219492 APFNNPBJUGCWIH-UHFFFAOYSA-N 340.335 1.457 0 40 EDAB CCCn1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1=O 40473558 WOPIQOKHBLEXDX-INIZCTEOSA-N 340.427 1.658 0 40 EDAB Cc1cc(C)n2ncc(C(=O)N(C)CC(=O)Nc3cc(C)on3)c2n1 40498446 QPTNOTNFNWRHQJ-UHFFFAOYSA-N 342.359 1.353 0 40 EDAB Cc1c(C(=O)N(C)C)sc2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c12 2462042 WNRCGZPGIXTOMF-UHFFFAOYSA-N 347.371 1.890 0 40 EDAB CS(=O)(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1 8023078 LEDXQNVSEOSDAP-CQSZACIVSA-N 340.426 1.146 0 40 EDAB COc1ccc(C(=O)NCCc2nnc3ccccn23)c(OC)c1 11546227 BHVQBCUYEAEWMS-UHFFFAOYSA-N 326.356 1.719 0 40 EDAB Cc1nc2c(cc1C(=O)N1CCN(CC(C)C)CC1)c(C)nn2C 40501959 HUZOYMCTOQQJQH-UHFFFAOYSA-N 329.448 1.999 0 40 EDAB Cc1nc(NCCS(=O)(=O)Cc2ccccc2)c2cnn(C)c2n1 40555709 QDYCVKGHVWBWKA-UHFFFAOYSA-N 345.428 1.699 0 40 EDAB C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 40513636 FGVVWCDSXKDGIS-LBPRGKRZSA-N 337.401 1.411 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)N1CCO[C@H]2CCCC[C@H]21 40553826 FTNCHDSLKPBRSO-OLZOCXBDSA-N 333.413 1.628 0 40 EDAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2cccnc2)CN3)cc1 20573521 PYQBFGVYFDCWAR-UHFFFAOYSA-N 349.394 1.614 0 40 EDAB CN(C)c1nc(NCc2ccccc2)nc(Oc2ccc(O)nn2)n1 8586265 AHTZZBZOIURWJC-UHFFFAOYSA-N 339.359 1.838 0 40 EDAB COCC(=O)N1CCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 51914928 HWRDRHCQTBIUIF-NSHDSACASA-N 336.417 1.650 0 40 EDAB CCc1sc2nnn(CC(=O)NCc3ccco3)c(=O)c2c1C 8991010 FKLUNSXEHIEBBQ-UHFFFAOYSA-N 332.385 1.633 0 40 EDAB O=C(NCc1ccccc1F)C1=NN(c2ccccc2)C(=O)CN1 32672762 QEPOHCRPEZSIGY-UHFFFAOYSA-N 326.331 1.392 0 40 EDAB c1ccc(CN2CCOC[C@@]3(C[C@@H](Cn4cnnc4)CO3)C2)cc1 107243812 BEHNLWDGJOFTBV-ZWKOTPCHSA-N 328.416 1.586 0 40 EDAB O=C1CN(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 11903795 UKJDENHNRUPGET-IRXDYDNUSA-N 342.420 1.705 0 40 EDAB O=C1Cc2cc(S(=O)(=O)N3CCO[C@@H]4CCCC[C@@H]43)ccc2N1 41195068 SDZKRSQMFSACSC-LSDHHAIUSA-N 336.413 1.513 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3cnc4ccccc4n3)CC2)on1 46629872 REQHNFDRWJGJDX-UHFFFAOYSA-N 337.383 1.884 0 40 EDAB COCCN1C[C@@H](C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)CC1=O 46626166 LVEDNZJIGYIRAZ-DOTOQJQBSA-N 348.418 1.854 0 40 EDAB Cc1c(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cnn1C 21614947 HGSYVFCTQRZBBR-MRXNPFEDSA-N 343.383 1.485 0 40 EDAB Cc1cc(C(=O)NCC2(C(N)=O)CCOCC2)c2ccc(F)cc2n1 52744493 ZJLZXXVGLLQERU-UHFFFAOYSA-N 345.374 1.694 0 40 EDAB O=C(c1cccnc1)N1CCO[C@H]2CCN(Cc3ccco3)C[C@@H]21 108526963 CLCFQZNYSRYPNE-IRXDYDNUSA-N 327.384 1.790 0 40 EDAB C[C@H](C(=O)NC1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O 53243582 DQQJTMNVGFTCKU-LLVKDONJSA-N 328.409 1.344 0 40 EDAB CC(=O)N1CCC(C(=O)NCCN2CCc3sccc3C2)CC1 53267518 UOEVOYARMFMHQQ-UHFFFAOYSA-N 335.473 1.481 0 40 EDAB O=C(c1cnc2nc(O)[nH]c(=O)c2c1)N1CCc2sccc2C1 47403871 YXWAZSBWQXQREC-UHFFFAOYSA-N 328.353 1.284 0 40 EDAB Cc1cccc(OC[C@@]2(CNCc3cccnc3)C[C@H](O)[C@H](O)C2)n1 107430355 YJEMQVXOGXONAA-IZZQQSIFSA-N 343.427 1.456 0 40 EDAB biogenic,in-vitro Cc1nn(C)c2cnn(CCCNC(=O)COc3ccc(F)cc3)c12 57279040 PKXWZUJTHGGIFX-UHFFFAOYSA-N 345.378 1.803 0 40 EDAB CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1cccc(Cl)c1 886637 PIFKDJPHQHFVKJ-CYBMUJFWSA-N 346.836 1.401 0 40 EDAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 100646839 APLBQPMJUJOVAZ-VKPHEEHNSA-N 343.379 1.983 0 40 EDAB CCC1(CC)NC(=O)N(C[C@H](O)COc2cccc(C(C)=O)c2)C1=O 24093243 IJRMLMXDGJMJQS-AWEZNQCLSA-N 348.399 1.740 0 40 EDAB Cc1cc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)n(C)n1 43433646 MNJMSTUHAYBFKL-INIZCTEOSA-N 343.431 1.269 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)Nc2nnc(Cc3ccccc3)s2)C1 47717534 QLTIOOKLIMBVOD-NSHDSACASA-N 331.401 1.468 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2ccccc2OC(F)F)CC1 25234066 LVHNQCWWCXXEFA-UHFFFAOYSA-N 341.358 1.228 0 40 EDAB CC(C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)N1CCOCC1 25373680 GPAUTSKQYCQHJB-OAHLLOKOSA-N 346.880 1.975 0 40 EDAB CN(Cc1nc(=O)c2ccccc2[nH]1)C[C@H](O)COCc1ccco1 25499761 WOWKYCUZKRPYTO-ZDUSSCGKSA-N 343.383 1.526 0 40 EDAB O=C(c1ccc(Cn2cncn2)cc1)N1CCN(C(=O)C2CC2)CC1 25589838 OJKKQFDEFXXKBU-UHFFFAOYSA-N 339.399 1.021 0 40 EDAB O=C(NC[C@@H]1C[C@]12CCCc1ccccc12)N[C@H]1CCCNC1=O 108107086 RGJZVPNRFRJZLW-URLQWDBASA-N 327.428 1.858 0 40 EDAB Cc1nc(-c2ccccc2)sc1C(=O)NCCNS(C)(=O)=O 29681802 CTZXBTBOPJOVJF-UHFFFAOYSA-N 339.442 1.398 0 40 EDAB Cc1cnc(CCNC(=O)c2nnn(-c3ccc(F)cc3)c2C)nc1 89702261 VWFRVFYPCOSZFT-UHFFFAOYSA-N 340.362 1.786 0 40 EDAB Cc1ccnn1-c1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 44720262 WTDICEIJYNYNFB-CYBMUJFWSA-N 333.413 1.345 0 40 EDAB C[C@@]1(c2ccccc2F)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O 58194626 RCCLLVOAXCXLJC-SFHVURJKSA-N 341.342 1.892 0 40 EDAB Cc1n[nH]c(=O)c2c(NC(=O)CN3C[C@H](C)OC[C@@H]3C)oc(C)c12 27646429 VOCBVTAGVGLEGX-IUCAKERBSA-N 334.376 1.181 0 40 EDAB COc1cccc(CC(=O)N2CCN(C(=O)[C@H](C)SC)CC2)c1 58215855 FTSJXFNZHQSLTQ-ZDUSSCGKSA-N 336.457 1.660 0 40 EDAB Cc1n[nH]c(SCc2nnnn2-c2ccc(OC(F)F)cc2)n1 58225232 IRHYYJKDIPQMJZ-UHFFFAOYSA-N 339.331 1.983 0 40 EDAB CN(CCCc1ccccc1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 58277500 ZKXSJKCQINDXMX-UHFFFAOYSA-N 337.379 1.921 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(c2cccc(C(F)(F)F)n2)CC1 58268494 BRFWNXLXLCPOOD-NSHDSACASA-N 342.365 1.890 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)C[C@H]1Sc2ccccc2NC1=O 58230328 BXPDWVYHHPRTQK-SMDDNHRTSA-N 349.456 1.911 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCC(=O)N2 44968906 GZXXUVOMVUYAGS-GXFFZTMASA-N 336.413 1.183 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCCCNC1=O 44968192 SXTIXWXZWMLWQH-ZDUSSCGKSA-N 333.388 1.616 0 40 EDAB Cc1nc(CCNC(=O)NC2CCN(c3ncccn3)CC2)cs1 44953675 DFWACZULIDQCLT-UHFFFAOYSA-N 346.460 1.752 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1ccc(N2CCCC2)nc1 28041026 QJUBLYGLTRJIQP-UHFFFAOYSA-N 336.417 1.765 0 40 EDAB Cn1ccnc1SCC(=O)Nc1ccc(S(C)(=O)=O)cc1 10885686 MGDIQRPPHMYHPH-UHFFFAOYSA-N 325.415 1.554 0 40 EDAB CN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)Cc1cccc(Cl)c1 12754077 ZMZLCTHZYKWDPH-HNNXBMFYSA-N 344.864 1.465 0 40 EDAB C[C@@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)c1ccc2c(c1)CCCC2 48278246 ZDOWDZZVNIGEDU-ABAIWWIYSA-N 329.400 1.731 0 40 EDAB CCOc1ccc([C@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 48286684 AODVDHXWRPKBPV-WCQYABFASA-N 326.418 1.633 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)CCC(=O)c2cccs2)CC1 48354559 MLAKNNNGBSSTRC-UHFFFAOYSA-N 344.458 1.205 0 40 EDAB CC(C)CCN1C(=O)c2ccc(C(=O)O[C@@H]3CCOC3=O)cc2C1=O 3471648 GHNBMKPXSHBOKX-CQSZACIVSA-N 345.351 1.801 0 40 EDAB O=C1[C@@H]2CCCN2C(=O)N1C[C@H](O)COCc1ccccc1Cl 12987989 NXXUVZALOHCJDU-JSGCOSHPSA-N 338.791 1.644 0 40 EDAB CN1C[C@H](C(=O)NCCOc2cccc(Br)c2)CC1=O 69349128 RWETZEAIUXZXSL-SNVBAGLBSA-N 341.205 1.422 0 40 EDAB CCc1cc(N2CCC(c3nncn3C3CC3)CC2)n2ncnc2n1 91483606 RHWHPXJUYAFRID-UHFFFAOYSA-N 338.419 1.997 0 40 EDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(C(=O)NC)nc1 69493144 VRFZAUQXUGYIBN-CVEARBPZSA-N 330.432 1.530 0 40 EDAB C[C@H]1CN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 14086724 YXZWUOPZWYXYAE-DQKMUQPMSA-N 349.475 1.890 0 40 EDAB Cn1nnnc1N1CCC(NC(=O)[C@@H]2Cc3ccccc3S2)CC1 65514082 HIYFVNLCOMVSFO-AWEZNQCLSA-N 344.444 1.012 0 40 EDAB CCOc1ncccc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 65539808 OFCWWJWQCVBPOK-OAHLLOKOSA-N 346.431 1.035 0 40 EDAB CC(C)CCNC(=O)NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 5492083 MOGDXPIETUHRIO-UHFFFAOYSA-N 334.355 1.351 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCCNC(=O)c1cccc(Br)c1 69580801 XWDMINVREZCXQA-JOYOIKCWSA-N 325.206 1.951 0 40 EDAB O=C1NC2(CCS(=O)(=O)CC2)C(=O)N1C/C=C/c1ccccc1 69591957 RBGHPYCKZUKQBK-QPJJXVBHSA-N 334.397 1.199 0 40 EDAB COc1ccc(Cl)cc1CC(=O)NCCN1CCN(C)CC1 69513533 YOTLMPPPXCVTCX-UHFFFAOYSA-N 325.840 1.255 0 40 EDAB CCc1nnc2n1C[C@H](CNCc1nccn1CC(F)(F)F)CC2 69565034 UHYGZPBSFVCVPE-NSHDSACASA-N 342.369 1.952 0 40 EDAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cn1 8516592 IEPQACKIDBNNNV-LLVKDONJSA-N 332.360 1.625 0 40 EDAB NC(=O)COc1cccc(CN2CCCC[C@@H]2Cn2cccn2)c1 69632356 CNQNLGFCYPHWBR-MRXNPFEDSA-N 328.416 1.802 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2)CC1 69737407 PCOARAIGGAZICE-CYBMUJFWSA-N 340.445 1.303 0 40 EDAB Cc1cc(C)cc(OCCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 7064878 YASPGMJKBTXGLW-UHFFFAOYSA-N 342.399 1.520 0 40 EDAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1 69872803 CQCLKOTVEPMNSO-CQSZACIVSA-N 337.383 1.677 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc2c(c1)OCCO2 7305547 KJXIQFNARBHDIO-UHFFFAOYSA-N 338.385 1.883 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccc(F)cc2)CC1 8707536 HLCXOMGYODGVID-LBPRGKRZSA-N 345.426 1.542 0 40 EDAB O=C(c1ccncc1)N1C[C@@H]2OCC(=O)N(CC3CCCCC3)[C@@H]2C1 67897453 UNSWIXFXNXKAOL-SJORKVTESA-N 343.427 1.714 0 40 EDAB biogenic,in-vitro Cn1cnc(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2cccnc2)c1 306136450 PTZFYMZNULFEOC-AWEZNQCLSA-N 342.399 1.515 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 8938221 WXQMMNOGWSFUOF-UHFFFAOYSA-N 347.392 1.890 0 40 EDAB CC(C)C[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(=O)O 71329014 HRMLZNQRQJYEGP-GFCCVEGCSA-N 349.412 1.587 0 40 EDAB C[C@@H](NC(=O)[C@@H](C)N1CCN(C(=O)C2CC2)CC1)c1ccc(F)cc1 24593765 DYOSMDHHUIMFNL-ZIAGYGMSSA-N 347.434 1.946 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(CNS(C)(=O)=O)n1 96009117 PUYDBXFFZRWJFN-VIFPVBQESA-N 346.409 1.191 0 40 EDAB CC(C)N(C)CC(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002505 AVDBKUTVPFWKSJ-OAHLLOKOSA-N 345.422 1.855 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](C)N3CCOCC3)cn2)n1 19656310 ZBRREXUGTPZLID-HNNXBMFYSA-N 343.431 1.335 0 40 EDAB CN(C[C@H]1CCCO1)C(=O)NC1CCN(Cc2ccccn2)CC1 71796072 UVDSJKGAYBQHKI-QGZVFWFLSA-N 332.448 1.866 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)Nc3n[nH]c(C)n3)CC2=O)cc1 71799398 RSZDNPUHNZHPNU-GFCCVEGCSA-N 329.360 1.109 0 40 EDAB O=C(CN1CCC[C@@H]1C(=O)OCc1ccccc1)Nc1nncs1 71900570 VCHMMSDCHQGYGG-CYBMUJFWSA-N 346.412 1.684 0 40 EDAB Cc1ccc(SCC(=O)NCCCN2C(=O)NC(C)(C)C2=O)cc1 71907995 LFWICRHGTHWAKZ-UHFFFAOYSA-N 349.456 1.924 0 40 EDAB O=C(Nc1nncs1)[C@H]1CCCN(C(=O)NCc2ccccn2)C1 71921997 MGXGSODBKKPTJR-NSHDSACASA-N 346.416 1.493 0 40 EDAB Cn1c(CN(C2CC2)[C@H]2CCc3ccccc32)cc(=O)n(C)c1=O 71826826 DLRNYEAFYHNNOE-KRWDZBQOSA-N 325.412 1.736 0 40 EDAB C[C@@H]1CN(C2CCN(C(=O)Cc3cn4ccsc4n3)CC2)CCO1 71829433 BKRQPKDHCCLASK-CYBMUJFWSA-N 348.472 1.650 0 40 EDAB Cc1cccc(OCCNC(=O)CN2CCC[C@@H]2Cn2cccn2)c1 71875480 SFADCRZJNAPEEF-QGZVFWFLSA-N 342.443 1.851 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1 71881951 CHBJRMGAHSYKBB-CYBMUJFWSA-N 328.359 1.120 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@H]1N(C)C 89948351 PYORABOOTQFOCN-GFOCRRMGSA-N 344.459 1.400 0 40 EDAB C[C@H](NC(=O)[C@H](C)N1CCN(C)C[C@@H]1C)c1ccc2c(c1)OCCO2 89938876 JCIMUJHLXKUFHH-KKUMJFAQSA-N 347.459 1.659 0 40 EDAB c1cn2cnnc2c(N2CCN(Cc3ccc4c(c3)CCO4)CC2)n1 72289779 XSDTXUSSRUAVTH-UHFFFAOYSA-N 336.399 1.381 0 40 EDAB CCOC(=O)N1CCC(OC(=O)c2ccc3c(c2)nnn3C)CC1 72271732 UVPBQTPZWGUGRX-UHFFFAOYSA-N 332.360 1.746 0 40 EDAB CC(C)c1nccn1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 97053440 UBVMQIOIZGRDPX-UHFFFAOYSA-N 332.448 1.868 0 40 EDAB C[C@H]1CCCN(C(=O)CN[C@@H](CS(C)(=O)=O)c2ccccc2)C1 97033659 CLFMVCQEXODMTI-HOCLYGCPSA-N 338.473 1.620 0 40 EDAB COC(=O)c1ccc(OC)cc1OS(=O)(=O)CC1(C)COC1 97166185 KNWWTCZFKCCCGF-UHFFFAOYSA-N 330.358 1.227 0 40 EDAB C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCC1Cc2ccccc2C1 97162026 OVOPFYCDRODISB-RDTXWAMCSA-N 332.444 1.973 0 40 EDAB CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)COC2 72300171 ZDPMDABIWHUEAZ-HZPDHXFCSA-N 336.457 1.964 0 40 EDAB NC(=O)c1cc(C(=O)N2CCOC[C@H]2C2CC2)nn1-c1ccccc1 89971914 RILGSDHVUICKTM-INIZCTEOSA-N 340.383 1.222 0 40 EDAB CCc1nc(CN2CCc3ncnc(N4CCOCC4)c3C2)cs1 97201974 NSHFASVZOYTOKE-UHFFFAOYSA-N 345.472 1.890 0 40 EDAB Cc1cccc(CCNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1 76017042 ZOVMYUCRWCIQRI-MRXNPFEDSA-N 341.415 1.376 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCc3nn(C(C)C)c(=O)cc3C2)on1 76064959 JYIVKTKPSOGPKT-LBPRGKRZSA-N 345.403 1.506 0 40 EDAB CC[C@@H]1c2ccccc2CCN1C(=O)c1ccnc2c(C(N)=O)cnn12 95450227 XENSHBDRPDOVHB-OAHLLOKOSA-N 349.394 1.978 0 40 EDAB Cc1nc(C(=O)NC[C@@H](O)COCc2ccccc2)c2ccccn12 95401009 WWUWLJYKSPUYBK-MRXNPFEDSA-N 339.395 1.950 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 95475946 BJEHFCFOIMOFDF-YJYMSZOUSA-N 341.411 1.619 0 40 EDAB CC[C@@H]1CN(C(=O)c2cnc3[nH]nc(C)c3c2)C[C@H]1N1CCOCC1 84736056 IOULTAKVOKMLHZ-CZUORRHYSA-N 343.431 1.449 0 40 EDAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(CNS(C)(=O)=O)o1 84762958 UCNLZQLUSVUCBG-BDJLRTHQSA-N 348.424 1.992 0 40 EDAB C[C@H]1CCCN1CC(=O)Nc1ccccc1CN1CCC[C@@H]1C(N)=O 73271416 BHKMYUZUMBDAAK-WMLDXEAASA-N 344.459 1.559 0 40 EDAB C[C@@H]1CN(C(=O)CCn2cnc3sccc3c2=O)C[C@@H]1N(C)C 78895204 QHKGHXPGDBQTBR-YPMHNXCESA-N 334.445 1.257 0 40 EDAB O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 95991985 QGROGVRJKBEBKY-CFVMTHIKSA-N 346.383 1.787 0 40 EDAB COc1cc(C)sc1C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 78900344 UGMMHSCNPGCTIB-JTQLQIEISA-N 348.428 1.907 0 40 EDAB C[C@H](CN[C@H](C)c1ccc(S(C)(=O)=O)cc1)CN1CCOCC1 95968270 QXZHKHQYBYKNBP-HUUCEWRRSA-N 340.489 1.709 0 40 EDAB CCc1nc(CN(C(C)=O)[C@@H]2CCN(CCc3ccncc3)C2)no1 89290000 SQNXEQYCDKMMMQ-MRXNPFEDSA-N 343.431 1.693 0 40 EDAB O=C(NCc1nccn1Cc1ccccc1)N1CCC[C@H](CO)C1 74818063 LNRVKYLYMIAPGA-INIZCTEOSA-N 328.416 1.845 0 40 EDAB C[C@H](CNC(=O)N1CCO[C@@H](CO)C1)Oc1cccc(Cl)c1 79008903 SHGTYRWTWKCYIW-BXUZGUMPSA-N 328.796 1.510 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 89408274 YLMWUOHAIHAYGU-IUODEOHRSA-N 340.445 1.216 0 40 EDAB C[C@@H](Cn1cc(Br)cn1)C(=O)N1CCC(C(N)=O)CC1 28233279 ZNYPQSKYXYLDNF-VIFPVBQESA-N 343.225 1.006 0 40 EDAB Cc1cc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)n(C)n1 89591821 VHMKWGYLJGZOBF-CQSZACIVSA-N 328.372 1.095 0 40 EDAB CCc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N 20842836 BYRINBCHZGBJNY-UHFFFAOYSA-N 335.389 1.056 0 40 EDAB CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccccn2)CC1 67800772 XHQUONYLVDBPGD-UHFFFAOYSA-N 341.433 1.759 0 40 EDAB CC(=O)N1CC[C@]2(CCN(S(=O)(=O)c3ccccc3F)C2)C1 63527791 BGFLDJRMLWYJDP-HNNXBMFYSA-N 326.393 1.459 0 40 EDAB CO[C@H]1COC[C@@H]1NC(=O)c1ccc(CSc2ncccn2)o1 65429341 UAZPORQGNOHJPN-AAEUAGOBSA-N 335.385 1.506 0 40 EDAB Cc1c(C(=O)N(C)C)sc2[nH]c(=O)n(-c3ccccc3)c(=O)c12 67334640 IOSGMUMBOIQAOM-UHFFFAOYSA-N 329.381 1.751 0 40 EDAB Cc1cc(CNS(=O)(=O)c2cccc(Cl)c2)nc(N(C)C)n1 188279467 ZKXRJTSRLZGEKG-UHFFFAOYSA-N 340.836 1.983 0 40 EDAB CC(=O)Nc1ccccc1OCc1nc(C)c(CC(=O)O)c(=O)[nH]1 217390746 QEOAFNBZLIWBCL-UHFFFAOYSA-N 331.328 1.243 0 40 EDAB CC1=C([C@@](C)(O)[C@](C)(O)C2=C(C)C(C)(C)OC2=O)C(=O)OC1(C)C 5231803 WSBJERHYNMJZCF-QZTJIDSGSA-N 338.400 1.792 0 40 EDAB biogenic CCc1noc(CN(C)C(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)n1 79935564 PCJFNYHEALHLLM-LLVKDONJSA-N 341.375 1.505 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)c1 188287266 ZWWTVLWPLFAXOA-UHFFFAOYSA-N 334.445 1.946 0 40 EDAB CNCC(=O)N1CCC[C@@H](c2cccc(Nc3nnc(C)s3)n2)C1 72383005 KHNLAWKWACDPOX-GFCCVEGCSA-N 346.460 1.911 0 40 EDAB O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1CCCC[C@@H]1O 73933186 FZWCRONEBHHDMT-HKUYNNGSSA-N 345.487 1.866 0 40 EDAB Cc1nc(NCCc2ccccn2)cc([C@H]2CCN2S(C)(=O)=O)n1 72387166 XOTZYZWLHLMVLX-OAHLLOKOSA-N 347.444 1.541 0 40 EDAB Cc1csc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)n1 72238007 ZJJNIUMQGVOCBE-UONOGXRCSA-N 331.397 1.989 0 40 EDAB Cc1cc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)nn1C 72264675 LVZNDDGWJBVQGY-KRWDZBQOSA-N 328.416 1.220 0 40 EDAB CC(=O)N1CCC[C@H](Cc2ccc(C(=O)NC3CCCC3)nn2)C1 72387204 YMFYQHWHJCEHMG-CQSZACIVSA-N 330.432 1.950 0 40 EDAB CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1cccc2cc(C)cnc12 180427916 BUQPUYVNIXJPIY-OAHLLOKOSA-N 348.424 1.912 0 40 EDAB C[C@@H]1OCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)O)c2)[C@H]1C 566176359 HWQGSUNBOKOYKO-IUCAKERBSA-N 333.793 1.836 0 40 EDAB Cc1cc(N2CCC[C@@](CCCc3cnccn3)(C(N)=O)C2)ncn1 72369022 HFUMPZJENWSAKR-GOSISDBHSA-N 340.431 1.670 0 40 EDAB COc1ccc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)c(O)c1 519543044 ZMRSAAGRKUVDJC-UHFFFAOYSA-N 342.399 1.678 0 40 EDAB COc1ccc(CN[C@@H]2CO[C@H](CNC(=O)C3CCCC3)[C@H]2O)cc1 77264063 NZRJASHOKZGMKT-KURKYZTESA-N 348.443 1.220 0 40 EDAB biogenic,in-vitro Cc1cc(NC(=O)C(=O)N(C)C)n(-c2ccc(C(F)(F)F)cn2)n1 133633875 ZPZXSXOWRJBHJL-UHFFFAOYSA-N 341.293 1.621 0 40 EDAB O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)Nc1nccs1 49389062 AUUSLPFQXPDOSB-UHFFFAOYSA-N 346.368 1.753 0 40 EDAB COc1ccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)c(OC)c1 41670428 LRLIYGYKKNSHFT-UHFFFAOYSA-N 332.312 1.202 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCOC2)C1=O)c1cccc(Cl)c1Cl 225777447 XTJPOOZQAFBGDS-AWEZNQCLSA-N 343.166 1.887 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2nccs2)cc1 223308988 JPFPVTPWOUSWRP-UHFFFAOYSA-N 341.414 1.411 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 583616258 ARAIVNVKJSFVPZ-BFHYXJOUSA-N 343.449 1.015 0 40 EDAB C[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)[C@H]1CCCCN1 583651095 FKQQJWQVRDGWRU-MAUKXSAKSA-N 331.460 1.779 0 40 EDAB c1ccc(-c2nnn3c2CO[C@H](CNCC2CCOCC2)C3)cc1 96061097 QKLRONIFPYJKLJ-MRXNPFEDSA-N 328.416 1.860 0 40 EDAB COCCn1nnc2ccc(NC(=O)C3CCCCC3)cc2c1=O 96231880 XSJWRBWPRGBSOJ-UHFFFAOYSA-N 330.388 1.957 0 40 EDAB Cn1c(=O)cc(C(=O)Nc2n[nH]c([C@H]3CCCO3)n2)c2ccccc21 95473265 UYQLVZCHIHAMKH-CYBMUJFWSA-N 339.355 1.760 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CCCOCC2)cc1CC(=O)O 578017580 FCJCDHSEJBWKGT-GFCCVEGCSA-N 343.401 1.170 0 40 EDAB Cc1cnc(C(=O)N2CCC3(CC2)CN(CC2CC2)C(=O)CO3)cn1 96201401 RINHKFOTNCRABB-UHFFFAOYSA-N 344.415 1.029 0 40 EDAB O=C1CO[C@@]2(COCCN(Cc3ccco3)C2)CN1c1cccnc1 96051330 MGMULBWYBWJBOI-GOSISDBHSA-N 343.383 1.309 0 40 EDAB CCC(=O)N1CCC2(CC1)[C@@H](c1cccnc1)CC(=O)N2CCOC 96199752 FUWFPISYMYYQGG-MRXNPFEDSA-N 345.443 1.815 0 40 EDAB CN(C)S(=O)(=O)N1CCC(C(=O)N2CCCC(C)(C)C2)CC1 98086244 GXNNAKWEMDNANA-UHFFFAOYSA-N 331.482 1.153 0 40 EDAB CS(=O)(=O)N1CCOC[C@@H]1c1nccc(Nc2ccccc2)n1 96218054 RUAKIDGXXVKJQF-CYBMUJFWSA-N 334.401 1.553 0 40 EDAB Cc1cccc(CN2C[C@@H]3C[C@H](CC(=O)N4CCCCO4)O[C@@H]3C2)n1 96219174 BTFWODIYODKMMA-CGTJXYLNSA-N 345.443 1.923 0 40 EDAB O=C(c1cnccn1)N1CCC[C@]2(CCN(C3CCOCC3)C2)C1 96158209 AWZHRQIPQZFLSX-GOSISDBHSA-N 330.432 1.584 0 40 EDAB CN(C)S(=O)(=O)N1CCC2(CCOC[C@@H]2COCC2CC2)CC1 96106502 VSYFTAOIJFBCDP-OAHLLOKOSA-N 346.493 1.338 0 40 EDAB CN1[C@@H](COCC2CC2)CCC12CCN(S(=O)(=O)N(C)C)CC2 96207933 BMVNRCMLWVEAEN-OAHLLOKOSA-N 345.509 1.148 0 40 EDAB O=C(O)Cn1cc(S(=O)(=O)NC2(c3cccc(F)c3)CC2)cn1 583260678 YATPQXHTPPNICN-UHFFFAOYSA-N 339.348 1.074 0 40 EDAB COCCn1cc2c(n1)[C@H](CNCc1cccc(OC)c1)OCC2 96044326 APVVWHBSWLLIIG-KRWDZBQOSA-N 331.416 1.942 0 40 EDAB Cc1ccc(CN2CCc3ccc(=O)n(CCN(C)C)c3CC2)o1 96196646 FPZUJWDALIUQTD-UHFFFAOYSA-N 329.444 1.912 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(OC)c(F)c3)C[C@H]2C1 96080813 QQWVLGORHUWYKR-KBPBESRZSA-N 342.436 1.548 0 40 EDAB O=S(=O)(C1CC1)N1CCc2onc(COc3cccnc3)c2C1 96260112 COMIEJSZCBZJEQ-UHFFFAOYSA-N 335.385 1.499 0 40 EDAB Cc1ncsc1CN1CC[C@H]2C[C@@H](C(=O)NCC3CC3)O[C@@H]2C1 96042902 DFFINLXUPLDUMK-SOUVJXGZSA-N 335.473 1.957 0 40 EDAB Fc1cccc(CN2CCn3cc(CN4CCOCC4)nc3C2)c1 96197301 OMXSQVNSFPOXEH-UHFFFAOYSA-N 330.407 1.870 0 40 EDAB Cc1nc(CNC(=O)NCc2cccnc2N2CCCCC2)no1 96439509 AVFFMBKFCZEVOP-UHFFFAOYSA-N 330.392 1.763 0 40 EDAB COC[C@@H]1CN(C(=O)COc2ccc(C)cc2)Cc2ncn(C)c21 96068615 FPDPJTSBGMYIIJ-AWEZNQCLSA-N 329.400 1.880 0 40 EDAB COCCC(=O)N1CC2(C[C@H](OCc3cccc(C)n3)CCO2)C1 247879286 QDIRJRGRNSFJTO-MRXNPFEDSA-N 334.416 1.703 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1cccc(OC)c1 257331351 XSMFRGHAOOAEKQ-SFHVURJKSA-N 340.383 1.363 0 40 EDAB CN(C)c1ccc(S(=O)(=O)c2ccc(N(C)C)c(N)c2)cc1N 255189092 NPUFNKTUDURXSM-UHFFFAOYSA-N 334.445 1.816 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)c3cc(C)on3)CC[C@H]21 257268000 MJVSCFWJRKJINI-DZGCQCFKSA-N 335.404 1.473 0 40 EDAB CC(C)OCC(=O)N1CC[C@H](c2ncncc2-c2ccnc(N)c2)C1 257334784 YHJWNRVTQSQIQG-AWEZNQCLSA-N 341.415 1.862 0 40 EDAB Cn1cc(NC(=O)NCCCCn2cc(Br)cn2)cn1 280122227 USBSMQNWKVURGH-UHFFFAOYSA-N 341.213 1.981 0 40 EDAB Cc1nnc(CC(=O)N2CCN(c3cncc4ccccc34)CC2)o1 292784509 HBWLYNGMPNWGBE-UHFFFAOYSA-N 337.383 1.818 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)C3CCC3)C[C@H]12)C1CC(F)(F)C1 575403161 DTJZXVKFJJEBDE-BFHYXJOUSA-N 342.386 1.421 0 40 EDAB CCCCC(=O)N1CC2(C1)CN(C)[C@H](C(=O)NC1CCCC1)CO2 575402703 AVVOILAIXVGMFT-HNNXBMFYSA-N 337.464 1.147 0 40 EDAB O=C(NCC1CC1)[C@@H]1CO[C@H]2CN(C(=O)Cc3ccccc3)C[C@@H]12 585108393 FFWARBRFRCUDOD-BBWFWOEESA-N 328.412 1.229 0 40 EDAB NC(=O)[C@H](F)C1CCN(C(=O)c2cc(F)c(F)c(F)c2F)CC1 585141557 VSBBDBLODILIRQ-SECBINFHSA-N 336.260 1.919 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC(N2CCNC2=O)CC1 55786186 MMUKNIDYBYGOCG-MLGOLLRUSA-N 345.399 1.231 0 40 EDAB CCc1c(C(=O)N(C)CCN2CCOCC2)cnn1-c1ccccn1 69487369 ZMSMJSAVBLFRHU-UHFFFAOYSA-N 343.431 1.234 0 40 EDAB CC[C@@H](CCNC(=O)NCc1ccc(C)nc1OC)N1CCCC1=O 66195392 UZXBFUCFOYSFLI-HNNXBMFYSA-N 348.447 1.989 0 40 EDAB Cc1cc(C)c(CNC(=O)CCS(=O)(=O)CC(C)C)c(=O)[nH]1 75118730 FTRJNJVPGPPNEZ-UHFFFAOYSA-N 328.434 1.069 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)NC1CCOCC1 77371427 LJDVNPCLFAGWAQ-KRWDZBQOSA-N 345.487 1.878 0 40 EDAB CCn1c(N2CCC(C(=O)NC[C@H](C)O)CC2)nc2ccccc21 12116407 UYERNNCUMQKIQY-ZDUSSCGKSA-N 330.432 1.770 0 40 EDAB CC(=O)O[C@@H](C)C(=O)OCCCCCOC(=O)[C@@H](C)OC(C)=O 17327989 LNCHADWZXKSXCS-PHIMTYICSA-N 332.349 1.146 0 40 EDAB COc1ccccc1S(=O)(=O)N[C@H]1CCN(c2nccs2)C1 206817998 FHTTXBNYLCTLJM-NSHDSACASA-N 339.442 1.709 0 40 EDAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(O)c2)C1=O 4472277 YHKTXJSSHGYFJQ-OTIXFSKASA-N 337.353 1.999 0 40 EDAB O=C([C@H]1CCOC1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390832157 XRLCHNITKKQMAO-WCQYABFASA-N 329.443 1.473 0 40 EDAB CN([C@@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1)S(C)(=O)=O 1888843564 AGGUNMUIMANDII-SECBINFHSA-N 338.355 1.356 0 40 EDAB O=C1[C@@H]2CN(Cc3n[nH]c4c3CCC4)C[C@@H]2C(=O)N1c1ccccc1 1888853590 MWFLXVHXGFPWJH-GASCZTMLSA-N 336.395 1.520 0 40 EDAB CC(C)n1c(N2C[C@H]3CN(S(C)(=O)=O)C[C@H]3C2)nc2ccccc21 1888863920 FIZWMPSLHUWLLX-OKILXGFUSA-N 348.472 1.945 0 40 EDAB O=C([C@@H]1CC=CCC1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888866246 HZUSUZGYKWRBQE-ILXRZTDVSA-N 338.415 1.375 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NC1CN(c2ccccn2)C1 1260654781 RUOOAFOHVVUBMU-UHFFFAOYSA-N 337.376 1.396 0 40 EDAB Cc1ccc(C)c(CN2[C@@H](Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2CO)c1 2037971247 ITKPUYBOAICUIC-JSXRDJHFSA-N 341.451 1.813 0 40 EDAB Cn1nccc1CN1CC[C@@H]2CN(C(=O)c3cncnc3)C[C@@H]2CC1 2056223325 GCEDLFCBOKVSQP-GASCZTMLSA-N 340.431 1.194 0 40 EDAB CC(C)N(C)C[C@H]1CN(C(=O)c2csnn2)Cc2nccn2C1 1614939017 JXEWVPZFPGQNII-GFCCVEGCSA-N 334.449 1.347 0 40 EDAB Cc1cnc(C)c(OC2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)n1 2087045945 BENYSXLMHXZXAD-INIZCTEOSA-N 348.447 1.232 0 40 EDAB CN(C1CCN(c2nc3cccnc3n2C)CC1)S(=O)(=O)C1CC1 2087143849 WYHKXAGFKOGHFD-UHFFFAOYSA-N 349.460 1.361 0 40 EDAB CCOC(=O)CC[C@H](NC(=O)c1ccc(C=O)cc1)C(=O)OCC 1558577 ZBZYBAQRABRTKV-AWEZNQCLSA-N 335.356 1.504 0 40 EDAB O=C(NC1CCC1)[C@@H]1CCc2c(C(=O)N3CCCCC3)ncn2C1 2055714562 HQDYFTOKRHECMM-CYBMUJFWSA-N 330.432 1.740 0 40 EDAB Cc1cccc(-c2nnn3c2CO[C@H](CNC(=O)c2cc[nH]n2)C3)c1 2055771600 LFEOXLMZWFQLKD-CYBMUJFWSA-N 338.371 1.305 0 40 EDAB CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cnn[nH]3)CC2)nn1 1775966268 ZKTMCRMFVYXICK-UHFFFAOYSA-N 344.419 1.823 0 40 EDAB O=C([C@@H]1CN(C/C=C/c2ccccc2)CCO1)N1CCSCC1 2298209820 YFQRCQJOYUCPDI-PFWMLDTASA-N 332.469 1.976 0 40 EDAB CC1=C(C(N)=O)[C@@H](c2ccc(Br)cc2)NC(=S)N1 4317136 JRKSRFVGMMUROH-SNVBAGLBSA-N 326.219 1.727 0 40 EDAB Cc1ccc([C@H](CNC(=O)c2ccc(=O)[nH]c2)N2CCOCC2)o1 40477367 DWHFZMRWPLJJCF-AWEZNQCLSA-N 331.372 1.080 0 40 EDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1 8180742 KEKJPWHFBJZVTP-UHFFFAOYSA-N 328.777 1.771 0 40 EDAB CC(C)CN1C[C@H](C(=O)Nc2cccc(-n3cnnc3)c2)CC1=O 31377862 WBYSPFUISORFRY-CYBMUJFWSA-N 327.388 1.710 0 40 EDAB CCc1c(C(=O)N2CCC(C(N)=O)CC2)cnn1-c1ccccn1 40513956 VOEVMPMGLPNERK-UHFFFAOYSA-N 327.388 1.167 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CCO3)cc1 40525173 OWJYYQBBGHJJGJ-UHFFFAOYSA-N 331.393 1.955 0 40 EDAB C[C@H]1c2cccn2CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 29379314 QHSBAOPQXMAPCA-ZDUSSCGKSA-N 347.440 1.955 0 40 EDAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)NC)cc2c1 4133045 IHTGAENJIKGUIH-UHFFFAOYSA-N 349.456 1.616 0 40 EDAB COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(C(=O)OC)cc1 7552179 CHLRGFQBECFZOC-ZDUSSCGKSA-N 334.397 1.781 0 40 EDAB CC(C)n1nccc1NC(=O)CN1CCC(N2CCN(C)C2=O)CC1 75131511 SZJRCZPQDMXVJG-UHFFFAOYSA-N 348.451 1.234 0 40 EDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1 20762539 ULHHAEMVANYULZ-MRXNPFEDSA-N 344.371 1.248 0 40 EDAB biogenic CC(C)(C)n1nnnc1SCC(=O)c1ccc2c(c1)NC(=O)CO2 8252694 LSJYQYWBMIELKI-UHFFFAOYSA-N 347.400 1.734 0 40 EDAB C[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2 32803248 VRUPCTMYRUCSEY-WDEREUQCSA-N 340.401 1.210 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@@H](NS(=O)(=O)N(C)C)C1 102415501 KZJLAZBAHMVBLW-LLVKDONJSA-N 333.841 1.323 0 40 EDAB CC(=O)c1c[nH]c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1 8258316 KVASNSTWBQGJHC-UHFFFAOYSA-N 326.308 1.670 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 21669232 YLGOWQDSIVRCMR-SECBINFHSA-N 348.327 1.371 0 40 EDAB Cc1cc(NCCS(=O)(=O)N2CCc3ccccc32)nc(C)n1 32923696 RDELZTRNNWRECV-UHFFFAOYSA-N 332.429 1.898 0 40 EDAB COc1cc(F)c(S(=O)(=O)N[C@H](C)c2nncn2C)cc1OC 32934590 PRKPCHHJUWIRKA-MRVPVSSYSA-N 344.368 1.011 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2cccc3ncccc23)CC1 21894547 JKVHYKFVQAHHAP-UHFFFAOYSA-N 333.413 1.845 0 40 EDAB Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)CO 41380923 ZXMBHVMVQLFSDC-VIFPVBQESA-N 329.194 1.501 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2o1 2928409 ZAKFNAJEDSRZRX-UHFFFAOYSA-N 330.365 1.868 0 40 EDAB COc1cccc(C(=O)NCCS(=O)(=O)c2ccccc2)c1OC 47385971 UKUAJFQTMKFYHV-UHFFFAOYSA-N 349.408 1.908 0 40 EDAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O 16905589 DSSSHNQBAPIECC-MRVPVSSYSA-N 337.357 1.636 0 40 EDAB O=C(CN1CCO[C@H](Cn2cccn2)C1)NCCC1=CCCCC1 69371960 LZXGXQIADUWFHD-KRWDZBQOSA-N 332.448 1.591 0 40 EDAB CCC[C@@H](C)N1C[C@H](C(=O)Nc2cnn(CCN(C)C)c2)CC1=O 61634965 YKSZAOZXDVDFQR-ZIAGYGMSSA-N 335.452 1.420 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)c3cccc(C)n3)cn2)CC1 69325107 BNTTZISUMHHXPP-UHFFFAOYSA-N 339.443 1.857 0 40 EDAB O=C1COc2ccc(C(=O)NCc3nncn3-c3ccccc3)cc2N1 42496829 DAUFVRUERBMBLO-UHFFFAOYSA-N 349.350 1.528 0 40 EDAB Cn1c(CN2CCC[C@H]2c2ccc3c(c2)OCO3)cc(=O)n(C)c1=O 69350041 KCHHLBLAUQTPIQ-AWEZNQCLSA-N 343.383 1.150 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)ccc1=O 54663446 QFIMGFYCFPRGSK-GFCCVEGCSA-N 331.376 1.365 0 40 EDAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cnn(C)c1C 54611541 CCHJQKUKZKXABR-UHFFFAOYSA-N 332.379 1.646 0 40 EDAB COC(=O)CC[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1ccccc1 105987832 CWCRTIAVAFODJZ-OAHLLOKOSA-N 328.368 1.810 0 40 EDAB C[C@H]1CN([C@H](C)CNC(=O)c2cccnc2N2CCCC2)C[C@@H](C)O1 106057251 NYGPKSJKTTTYMK-OAGGEKHMSA-N 346.475 1.909 0 40 EDAB Cc1nn(C)c2cnn(Cc3ccc(C(=O)NC[C@@H]4CCCO4)o3)c12 57279675 VGFYQGSJRRWRBL-LBPRGKRZSA-N 343.387 1.628 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)ccc1-n1cnnn1 100338160 XUWOEJBGWJFZQK-YRGRVCCFSA-N 333.417 1.438 0 40 EDAB O=c1ccc(-c2ccccc2)nn1CN1CCN(c2ncccn2)CC1 54388972 DNVZTODOANGOSR-UHFFFAOYSA-N 348.410 1.480 0 40 EDAB CCOC(=O)c1ncn2c(N)c(C(=O)Nc3ccccc3C)nnc12 1414231 KPTUVYGWMITRCS-UHFFFAOYSA-N 340.343 1.444 0 40 EDAB C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)C[C@H](C)O1 3128444 JBVPLLBTQUDUCG-RYUDHWBXSA-N 345.848 1.891 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cccn1)N1CCO[C@@H]2CCCC[C@@H]21 106784323 UYYYBCIQZZVRSA-IXDOHACOSA-N 332.448 1.518 0 40 EDAB Cc1nc(NC(=O)CN2CCN(C[C@H](C)O)[C@@H](C)C2)sc1C 106868090 KKXVEOZASNAIMU-QWRGUYRKSA-N 326.466 1.085 0 40 EDAB Cn1cc([C@H]2CCCN2C[C@@H](O)CN2CCc3ccccc3C2)cn1 106844039 PQPPEEOSDITJBL-VQTJNVASSA-N 340.471 1.976 0 40 EDAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC(N2CCNC2=O)CC1 55785975 MODGSWVDEOTJIZ-UHFFFAOYSA-N 342.321 1.730 0 40 EDAB CCN1CCN(C(=O)CCNC(=O)/C=C/c2ccc(OC)cc2)CC1 25461244 OHGOGCHGMHGROQ-RMKNXTFCSA-N 345.443 1.379 0 40 EDAB C[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)N1CCOCC1 25567975 RKYQMJULRQEXAP-VIFPVBQESA-N 330.314 1.276 0 40 EDAB CCN1CCN(c2ccc(N[C@H](C)C(=O)NC(N)=O)c(C)c2)CC1 56170205 IRFFPXSAENCLPP-CYBMUJFWSA-N 333.436 1.132 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)COc2ccc(Cl)cc2)C[C@H](C)O1 3275684 ZGIFPLAWACRHIB-RYUDHWBXSA-N 341.791 1.898 0 40 EDAB O=C(CN1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1)NC1CC1 44334517 FEOGMYMXPBDUOR-UHFFFAOYSA-N 345.418 1.280 0 40 EDAB COc1ccc(OCCN2CCCN(S(C)(=O)=O)CC2)cc1 58166898 DBKVUKVVHDRMRY-UHFFFAOYSA-N 328.434 1.041 0 40 EDAB Cc1cc(C)n(CC(=O)NC[C@H](c2cccs2)N2CCOCC2)n1 44895854 LVMIGNUBCYIANZ-OAHLLOKOSA-N 348.472 1.751 0 40 EDAB CC[C@H]1CN(C(=O)COc2ccc(C(=O)NC3CC3)cc2)CCO1 58201687 YTQBPGKAXAEOID-HNNXBMFYSA-N 332.400 1.595 0 40 EDAB C[C@H]1CN(C(=O)CCNC(=O)c2cccc3[nH]ncc23)C[C@@H](C)O1 58281693 VCUVHIYBYZAHTR-TXEJJXNPSA-N 330.388 1.319 0 40 EDAB O=C(N[C@H](CNC(=O)[C@H]1CCCO1)Cc1ccccc1)[C@@H]1CCCO1 58268450 CMDYPCLBZNVEKR-BBWFWOEESA-N 346.427 1.188 0 40 EDAB COc1ccccc1CS(=O)(=O)[C@@H](C)C(=O)NC[C@H]1CCCO1 44938508 PZNQTCHAXCJFJL-GXTWGEPZSA-N 341.429 1.294 0 40 EDAB CNC(=O)[C@H](C)NC(=O)c1cnc(SC)n1-c1ccc(F)cc1 44979574 OKUBSJLLAYNUNT-VIFPVBQESA-N 336.392 1.598 0 40 EDAB O=C1NCCN1CCN1CCN(C(=O)Nc2ccc(F)cc2)CC1 58341040 RNMLCEJXAGVKMM-UHFFFAOYSA-N 335.383 1.000 0 40 EDAB CSc1nnc(S[C@@H](C)C(=O)Nc2cccnc2Cl)n1N 10677324 JBEDWUYXQWDMCZ-LURJTMIESA-N 344.853 1.882 0 40 EDAB O=C(NCc1cn2ccccc2n1)N1CCN(c2ccncc2)CC1 48275413 CJJAOQQXLLIZNX-UHFFFAOYSA-N 336.399 1.761 0 40 EDAB CCCCN(C)c1ncc(Cl)c(C(=O)NCCn2ccnc2)n1 48287314 JWOFYZHNAYAMGV-UHFFFAOYSA-N 336.827 1.993 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1S(C)(=O)=O 62380506 UGIRKJSZECYXPZ-GHMZBOCLSA-N 341.433 1.515 0 40 EDAB Cn1c(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)nc2ccccc21 48362642 BLPJVBMVCYVQNS-INIZCTEOSA-N 335.363 1.971 0 40 EDAB Nn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccc1F 3439049 VMOCLEWAYVQFIP-UHFFFAOYSA-N 335.408 1.949 0 40 EDAB CCOc1ccc(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 3487747 DUKIZUSOILVKTQ-AWEZNQCLSA-N 333.388 1.990 0 40 EDAB CCc1nc(CN2CCC[C@@H](Nc3ncnc4[nH]ccc34)C2)no1 69456760 MHKOTKULFBPNBA-LLVKDONJSA-N 327.392 1.980 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)Nc2nnc(C)s2)n1 69491302 SNOVCDSCAJKPHF-LBPRGKRZSA-N 335.437 1.158 0 40 EDAB NC(=O)c1ccc(OCC(=O)NCc2noc(-c3ccco3)n2)cc1 63250891 IBDFAFYSKVLRIR-UHFFFAOYSA-N 342.311 1.124 0 40 EDAB CCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(F)cc2F)CC1 69566889 HBDLQOISEGGOJB-LBPRGKRZSA-N 339.386 1.637 0 40 EDAB COc1ccccc1CC1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 69701496 MUFDTLMSWZXUMH-MRXNPFEDSA-N 330.428 1.955 0 40 EDAB O=C(NCCCCN1CCOCC1)c1ccc(-n2ccnn2)cc1 89751563 GSKQPMGNCMAULU-UHFFFAOYSA-N 329.404 1.110 0 40 EDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2cnnn2)cc1 69899718 UPQUNIDTINXESI-SJORKVTESA-N 340.431 1.751 0 40 EDAB C[C@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)[C@H](C)n1cccn1 69899370 VNQBYFLCJMLRND-XEZPLFJOSA-N 337.445 1.559 0 40 EDAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(O)c2)C1=O 4472278 YHKTXJSSHGYFJQ-LQGZHCLWSA-N 337.353 1.999 0 40 EDAB CN(C)C(=O)[C@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1 14023537 ICFPSCDKAZBQQS-QGZVFWFLSA-N 340.379 1.948 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1 6451686 JQRHTUNSQJKYHV-UHFFFAOYSA-N 336.369 1.305 0 40 EDAB Cc1cccc(-c2nc(-c3c(N)n(C)c(=O)n(C)c3=O)cs2)c1 14185757 ZVVGUSLYDZOTPI-UHFFFAOYSA-N 328.397 1.765 0 40 EDAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCCN(c2cccnn2)CC1 69950352 LZSABKZSSBDCSG-UHFFFAOYSA-N 349.394 1.671 0 40 EDAB NC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 6566637 SFYALECGZKIHKE-UHFFFAOYSA-N 325.206 1.716 0 40 EDAB O=C(CN1CCc2cc(Br)cc(F)c21)N1CCOCC1 89762096 XOVLODQPJXMLII-UHFFFAOYSA-N 343.196 1.810 0 40 EDAB CN(CCNC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 66923887 MEZDWLIXNJQCRQ-HNNXBMFYSA-N 344.459 1.212 0 40 EDAB NC(=O)C1(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 93240826 NMGOECVIVNPWPO-UHFFFAOYSA-N 339.182 1.927 0 40 EDAB CC(C)CNC(=O)c1nsc(C(=O)NC[C@@H]2CCCO2)c1N 67334960 JBDDPTJVUFVQGF-VIFPVBQESA-N 326.422 1.020 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCc2ccccc2)c1 7213891 JWGBGVWLBRLCLB-UHFFFAOYSA-N 347.392 1.911 0 40 EDAB Cc1[nH]c(C(=O)OCC(=O)N2CCCC2)c(C)c1C(=O)OC(C)C 7413694 YJYBYBQLVSWCKF-UHFFFAOYSA-N 336.388 1.976 0 40 EDAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(O)nc(O)n1 408718373 VFFJCIXYJSRUAU-UHFFFAOYSA-N 329.341 1.582 0 40 EDAB O=C(c1ccc2ccccc2n1)N1CCN(C(=O)[C@H]2CCCO2)CC1 7813531 RYMJAQJJBJAGGO-QGZVFWFLSA-N 339.395 1.698 0 40 EDAB CCc1nc(C)ncc1C(=O)N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 83817545 UKYBDJGTWBGBSH-PBHICJAKSA-N 332.448 1.530 0 40 EDAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccco1 19819724 WHHWCZZNKPDUHO-CQSZACIVSA-N 344.367 1.812 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2nnnn2-c2ccccc2)cc1 9571160 WFIGWGBWXZLVDQ-UHFFFAOYSA-N 329.385 1.449 0 40 EDAB CCc1nc(CN(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cs1 71897137 ONFFAFOXLFPTAG-ZIAGYGMSSA-N 344.502 1.874 0 40 EDAB O=C1CCCCCN1CC(=O)N1CCCC[C@H]1CN1CCOCC1 71896622 QCHQXZOEJIUSCV-INIZCTEOSA-N 337.464 1.102 0 40 EDAB Cc1cc(-c2cc(C(=O)N(C)CC(N)=O)c3c(C)noc3n2)c(C)o1 71820899 SPGZGFFPDRXKCX-UHFFFAOYSA-N 342.355 1.965 0 40 EDAB c1ccc(-c2noc(CN3CCCC[C@H]3Cn3cncn3)n2)nc1 71878700 GJTJXURIBVLPST-ZDUSSCGKSA-N 325.376 1.778 0 40 EDAB C[C@H](C(=O)NCC1CCCCC1)[S@](=O)Cc1nnnn1C1CC1 71859159 GPXBKBGBEALWGV-BGJPBQGDSA-N 339.465 1.342 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)Cn2ncc3ccccc3c2=O)C12CCC2 89985715 JADVKEYQFZYGQO-JKSUJKDBSA-N 341.411 1.860 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NCCc2ccc3c(c2)OCCO3)C1 89954648 MIQQGMTXVGHSLY-OAHLLOKOSA-N 347.415 1.310 0 40 EDAB O=C1NC[C@@]2(CCCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)O1 72164406 BYAHMSPMLLXYBA-GOSISDBHSA-N 340.383 1.646 0 40 EDAB CO[C@](C)(C(=O)N1CCO[C@@H](c2nc(C)n[nH]2)C1)c1ccccc1 76045418 XRPIQOZXVSXNJQ-PBHICJAKSA-N 330.388 1.575 0 40 EDAB CC(=O)N1[C@H](c2ccc(C)cc2)SC[C@H]1C(=O)N1CCOCC1 9846084 IFEUAAZHOPUPID-RDJZCZTQSA-N 334.441 1.816 0 40 EDAB Cc1ccn(-c2ccc(N3CCC(C(=O)NC(C)C)CC3)nn2)n1 77955701 MRXSZTFYCPKBPF-UHFFFAOYSA-N 328.420 1.712 0 40 EDAB NC(=O)C1(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CCOCC1 72295607 KTWCKFAMUFJQCN-WCQYABFASA-N 338.354 1.467 0 40 EDAB Cc1ncccc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 97081798 LZVJBZFIIILJKU-KRWDZBQOSA-N 325.412 1.887 0 40 EDAB 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COc1ncccc1CNC(=O)C[C@H](NC(N)=O)c1ccccc1F 30303941 NVBKEDNWSNPFAV-AWEZNQCLSA-N 346.362 1.645 0 40 EDAB C[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccccn1 28782985 UUWIFHQBOAVOOI-NSHDSACASA-N 327.340 1.418 0 40 EDAB COc1ccc(OCC(=O)Oc2cccc(-n3cnnn3)c2)cc1 15996934 GXEROIAPVHXUFH-UHFFFAOYSA-N 326.312 1.655 0 40 EDAB CC1(C)Cc2cccc(OCC(=O)N[C@H]3CCCCNC3=O)c2O1 40521478 UYOSZLZSIMEMCH-ZDUSSCGKSA-N 332.400 1.564 0 40 EDAB CCN1C(=O)[C@H]2[C@H](c3cccc(F)c3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 4388686 YETVZQMIBWNCBG-ZOPJHEKZSA-N 334.347 1.023 0 40 EDAB COC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CC3)cc21 4399903 XNNKDVWYRIXFMU-UHFFFAOYSA-N 332.356 1.256 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)C[C@@H](C)O1 29455694 HUPIZDLXJRWVAK-DTORHVGOSA-N 344.820 1.633 0 40 EDAB CCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 6594402 PQRAJATYMGFSDS-UHFFFAOYSA-N 346.836 1.639 0 40 EDAB C[C@@H](C(=O)NC(C)(C)C)S(=O)(=O)Cc1noc(C(C)(C)C)n1 46164745 NDNRJAKSCBZPBZ-VIFPVBQESA-N 331.438 1.585 0 40 EDAB CN(CC(=O)n1cccc/c1=N\C1CCCCC1)S(C)(=O)=O 46186886 ITESGEOGTLGQCU-JQIJEIRASA-N 325.434 1.253 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2cccn2Cc2ccncc2)CC1 69967244 HEWIUNZCMYSABX-UHFFFAOYSA-N 342.443 1.460 0 40 EDAB CC(=O)N1CCC(NC(=O)CN2C[C@@H](C)Oc3cc(F)ccc32)CC1 75147560 IEANNCNUOZQAPM-GFCCVEGCSA-N 349.406 1.540 0 40 EDAB CCc1ccc(NC(=O)Cn2nnc(C(=O)OC)c2C(=O)OC)cc1 428823 QHXAGNWOOJEYBU-UHFFFAOYSA-N 346.343 1.052 0 40 EDAB O=C(Cn1cnc(NC(=O)c2ccccc2)n1)NCc1ccccc1 33026183 GVBBZKIKLBJEEQ-UHFFFAOYSA-N 335.367 1.847 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)c1cnc2n(c1=O)CCS2 33116881 XDCRYQNWJQGRJC-LLVKDONJSA-N 329.381 1.083 0 40 EDAB C/C=C1\C=C(\C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 54956583 UAYZNOYHWPOXJQ-BYMMWSOFSA-N 333.384 1.113 0 40 EDAB Cc1cccc2nc(CNC(=O)[C@H](C)NC(=O)c3ccoc3)cn12 68569492 OMWIETCYPXXOKY-LBPRGKRZSA-N 326.356 1.670 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N1CCN(c2ccccc2O)CC1 46465212 CDNUGKXKXXWBEL-CQSZACIVSA-N 329.404 1.509 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C(C)C)c1ccccc12 529993 FYKVDYHNIUQMRO-MRXNPFEDSA-N 346.412 1.597 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1S(C)(=O)=O 68530018 UGIRKJSZECYXPZ-MNOVXSKESA-N 341.433 1.515 0 40 EDAB COc1ccc(N2C(=O)[C@H](CCSC)NC2=S)cc1CO 58162954 XYLVHALAGUJASW-NSHDSACASA-N 326.443 1.530 0 40 EDAB CC(C)(CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)N1CCOCC1 46628965 JBHXBRXWWMHICM-AWEZNQCLSA-N 349.406 1.479 0 40 EDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 106195174 DBZOECXGIQSING-MCIONIFRSA-N 329.404 1.934 0 40 EDAB Cc1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c2[nH]ncc2c1 89610703 YGDHRMAFAFDZQY-JKSUJKDBSA-N 328.416 1.543 0 40 EDAB O=C(N[C@@H]1CCCCNC1=O)c1cc(F)cc(Br)c1 46766856 BBZGGEYVTPUHPL-LLVKDONJSA-N 329.169 1.987 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1ccncc1 12148084 YYRYNHINQCJPCL-JTQLQIEISA-N 333.369 1.452 0 40 EDAB Cc1ccc(OCC(=O)NS(=O)(=O)c2c(C)noc2C)cc1C 42292203 BGJGZOWQGPOXPT-UHFFFAOYSA-N 338.385 1.792 0 40 EDAB Cc1cc(CN2CCN(CC(=O)NCc3ccccc3F)CC2)no1 22800082 SGPFZLOHBGJQSD-UHFFFAOYSA-N 346.406 1.556 0 40 EDAB CCCn1nc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)ccc1=O 22840359 CMIRGONGMSTQKB-QGZVFWFLSA-N 340.427 1.782 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)N[C@@H](C)c2nncn2C)CC1 46964395 QQPJEDBNDBBUDB-HNNXBMFYSA-N 342.447 1.712 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 7814167 PPDACTYFAUGPQV-YPMHNXCESA-N 328.409 1.894 0 40 EDAB COc1ccccc1C(=O)NCCNC(=O)c1ccccc1OC 3066003 SUHFYARZNFBMQM-UHFFFAOYSA-N 328.368 1.864 0 40 EDAB CCOc1ccc(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)cc1 24161669 XWHMHDUXPQJIGN-INIZCTEOSA-N 334.397 1.696 0 40 EDAB Cc1nc(CS(=O)(=O)c2ccccc2)cc(N2CCOCC2)n1 1388899 VJXKUSWDEPDSHT-UHFFFAOYSA-N 333.413 1.596 0 40 EDAB C[C@@H](Cc1ccccc1Br)NC(=O)[C@H]1CN(C)CCO1 89904176 GRWRBULQZYQHFD-SMDDNHRTSA-N 341.249 1.827 0 40 EDAB O=C(CCNC(=O)c1ccsc1)NCCNC(=O)c1ccco1 24926831 FVFBDASNMJXKPK-UHFFFAOYSA-N 335.385 1.007 0 40 EDAB CN1C[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1=O 106871655 KBBUBLAFEFGKMO-WWGRRREGSA-N 349.818 1.206 0 40 EDAB C[C@H](C(=O)Nc1ccc(NC(=O)C2CCOCC2)cc1)n1cncn1 25295396 BLYOZVSXPMTBTN-GFCCVEGCSA-N 343.387 1.843 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 75606291 SKYHWDMREZQOCT-QAETUUGQSA-N 340.464 1.018 0 40 EDAB O=C(CN1CCN(CCc2ccccc2)CC1)NC[C@@H]1CCCO1 25355844 KNOKNOSFNYSDSX-SFHVURJKSA-N 331.460 1.142 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCC(=O)N1CCOCC1 75605173 KNFKNVDNLPLABF-ZDUSSCGKSA-N 340.855 1.768 0 40 EDAB Cc1cccnc1NC(=O)CN(C)S(=O)(=O)c1cccs1 12517151 DZBDVVHORZBIHT-UHFFFAOYSA-N 325.415 1.711 0 40 EDAB COC(=O)c1ccc(C(=O)OCCNC(=O)c2ccncc2)cc1 56217274 NUEOTIMZVIPOPB-UHFFFAOYSA-N 328.324 1.455 0 40 EDAB CCCn1nc2c(cc1=O)CN(Cc1nnc(C3CC3)n1C)CC2 76064555 NULVKSXRROWSPI-UHFFFAOYSA-N 328.420 1.218 0 40 EDAB CC(=O)N(C)c1nc(CN2CCO[C@@H](c3nc(C)n[nH]3)C2)cs1 76048967 SFXSTPVJTNYMHY-GFCCVEGCSA-N 336.421 1.126 0 40 EDAB CN1CCC(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 108143433 YILINKHRZPMOMY-OALUTQOASA-N 345.487 1.327 0 40 EDAB CCOc1ncccc1C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C 68111949 JIWZZGZDVRTKGI-GFCCVEGCSA-N 337.445 1.910 0 40 EDAB COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 108493622 GZIIVDPIPMVEGX-BBWFWOEESA-N 338.496 1.223 0 40 EDAB C[S@@](=O)CCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 76041471 BJNIRVPRSGYOFP-SBUREZEXSA-N 336.457 1.424 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)c1cc(C2CC2)nc2onc(C)c12 58081844 PFMWNVDVAPHOOB-UHFFFAOYSA-N 330.388 1.959 0 40 EDAB CCCC(=O)N1CCCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 58177822 NLERMSGAGUFRSP-CYBMUJFWSA-N 340.468 1.334 0 40 EDAB O=C(NCCc1ccc(F)cc1)NCCn1nc2ccccn2c1=O 58155612 YOBUPAHUTNEWTA-UHFFFAOYSA-N 343.362 1.177 0 40 EDAB CCS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 36091900 ZHHSEXZEEFFOIF-CQSZACIVSA-N 332.853 1.653 0 40 EDAB CCCNC(=O)CN1CCN(Cc2ncc(-c3ccccc3)o2)CC1 44871397 GXQRMHYJSBSISL-UHFFFAOYSA-N 342.443 1.985 0 40 EDAB Cn1cc([C@H](O)CNC(=O)Nc2cc(F)ccc2-n2cccn2)cn1 76069935 XXXQNKHJWMEMAX-OAHLLOKOSA-N 344.350 1.600 0 40 EDAB O=C(C[C@@H]1C=CCC1)NCCC(=O)N1CCN(c2ccccn2)CC1 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EDAB O=C(NCC1CC1)[C@H]1CCCN(Cn2c(=O)oc3ccccc32)C1 48279515 QPTXLHQVUPSWKK-AWEZNQCLSA-N 329.400 1.790 0 40 EDAB C[C@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)N1CCOCC1 48274958 WMLGQNPYHGGJJQ-CQSZACIVSA-N 344.415 1.006 0 40 EDAB COc1ccccc1NC(=O)C(=O)N1N=C(C)C[C@@]1(O)C(F)(F)F 409354046 XEWQUTLQUJDICP-CYBMUJFWSA-N 345.277 1.493 0 40 EDAB c1c(CC2(NC3CCCCC3)COC2)noc1CN1CCOCC1 67898381 SMARHKVDFANWGK-UHFFFAOYSA-N 335.448 1.741 0 40 EDAB biogenic,in-vitro Cc1ccsc1/C=C/C(=O)N1CCN(CC(=O)NC2CC2)CC1 12995073 LCQIZRNGKDCKPG-SNAWJCMRSA-N 333.457 1.493 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccccc1SC(F)F 8405181 MGMNFPKEGGZUKS-UHFFFAOYSA-N 327.312 1.490 0 40 EDAB Cc1noc(CCNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)n1 63987575 LVTPNLBHTWOHEU-CQSZACIVSA-N 344.371 1.468 0 40 EDAB CC(C)c1ccc(NC(=O)C[C@@H]2SC(NC(=N)N)=NC2=O)cc1 13637661 FKHADMCIZQXDEF-NSHDSACASA-N 333.417 1.620 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H](OC1CCCC1)c1ccccc1 69369753 HLKVKBGCJCGEMD-ZBFHGGJFSA-N 337.441 1.990 0 40 EDAB CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H](C)Cn1cccn1 65491700 MSIPNXRMFZCRMK-OAHLLOKOSA-N 346.479 1.755 0 40 EDAB CC(=O)NCCC(=O)Nc1cc2c(cc1Br)OCCO2 14020691 OZRHQHLMUHJAFF-UHFFFAOYSA-N 343.177 1.685 0 40 EDAB O=C1C[C@@H](Cc2ccc(C(=O)NCc3ccsc3)cc2)C(=O)N1 76061080 CYFAYGONYQKECE-CQSZACIVSA-N 328.393 1.883 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2ccccn2)C1=O 69453662 FTRQURPFDFHHNY-FHSNZYRGSA-N 344.415 1.638 0 40 EDAB NS(=O)(=O)CCNC(=O)c1ccc(Oc2cccc(F)c2)cc1 69453402 JVVZKALJXHFNDZ-UHFFFAOYSA-N 338.360 1.636 0 40 EDAB Cc1ccc(/C=C/C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)o1 69444352 HHIRAEXIHXSJPB-FYCOFBDGSA-N 331.416 1.542 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1=NO[C@@H](c2ccccc2)C1 69566445 KHLCGDCKVLWZSE-DLBZAZTESA-N 335.363 1.947 0 40 EDAB COC(=O)c1c(NC(=O)NC[C@H](C)O)sc2c1CC(C)(C)OC2 6758924 NXZKBLBNOJKIRO-QMMMGPOBSA-N 342.417 1.888 0 40 EDAB C[C@H]1CCCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1 6881937 BWORFVNSTAYUER-JTQLQIEISA-N 343.349 1.891 0 40 EDAB 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20590937 NUKURHSADSVUBQ-UHFFFAOYSA-N 342.399 1.012 0 40 EDAB CC[C@](C)(NCC(=O)Nc1ccc(Br)c(C)c1)C(N)=O 75105678 PVDMYKFCWOAPBO-AWEZNQCLSA-N 342.237 1.940 0 40 EDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC 7686374 BYHCACCIJSYEBK-LBPRGKRZSA-N 347.458 1.201 0 40 EDAB CCN(C)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 58007312 MOBLZJKUJVLTED-UHFFFAOYSA-N 326.340 1.815 0 40 EDAB Nc1nc(Cl)cc(NC[C@@]2(N3CCOCC3)CCSC2)n1 29626115 XXGZDNQVXCJXNE-ZDUSSCGKSA-N 329.857 1.332 0 40 EDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccccc1C 10339407 QBSQLDIJHHESLE-CABCVRRESA-N 345.399 1.033 0 40 EDAB COc1ccc(CNc2c(NCCCN(C)C)c(=O)c2=O)cc1OC 101688195 OMBVJHVGNPPAOF-UHFFFAOYSA-N 347.415 1.276 0 40 EDAB NCCN1CCO[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 8559510 VGXIVPDAJYLFFI-LBPRGKRZSA-N 345.321 1.220 0 40 EDAB Cn1c(=O)c2ccc(C(=O)NCCC3=CCCCC3)nc2n(C)c1=O 32408473 SCCSMCBJURSTQB-UHFFFAOYSA-N 342.399 1.253 0 40 EDAB Cc1ccc(-c2nnc(SCC(=O)N3CCN(C)CC3)n2C)cc1 58739540 DHULRFWNNOBDGU-UHFFFAOYSA-N 345.472 1.657 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)NCc1ccc(S(C)(=O)=O)cc1 32718769 BKSRMRVMZOOAQG-UHFFFAOYSA-N 349.456 1.689 0 40 EDAB CNC(=O)C1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 32865574 RFPWXIZONIXSJR-UHFFFAOYSA-N 334.441 1.762 0 40 EDAB Cn1nc(C(=O)Nc2cccc(F)c2)cc1OCC(=O)N1CCCC1 57355308 NSUVNVYAXCYRAL-UHFFFAOYSA-N 346.362 1.813 0 40 EDAB CCS(=O)(=O)C[C@](C)(Cl)C(=O)Nc1ccc(C(=O)OC)cc1 535353 SSJUITSDMGZRIG-AWEZNQCLSA-N 347.820 1.844 0 40 EDAB Nc1nccnc1C(=O)NCCc1ccc(OC(F)(F)F)cc1 53798856 IMWAOAMCBRXZCA-UHFFFAOYSA-N 326.278 1.930 0 40 EDAB CCCCc1nnc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)s1 22742966 AGLGDRSZYDIWGP-UHFFFAOYSA-N 337.405 1.137 0 40 EDAB C[C@@H]1CN(C(=O)c2c(I)cnn2C)C[C@@H](C)O1 996082 IBCUXCRGJLIMAG-HTQZYQBOSA-N 349.172 1.274 0 40 EDAB CCN(CC)S(=O)(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 23404136 ZQWFIHBUBCESMV-AWEZNQCLSA-N 340.424 1.825 0 40 EDAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)CCNS(C)(=O)=O)C2CC2)o1 42721727 SNOLOYVVAYCQPQ-SMDDNHRTSA-N 340.445 1.833 0 40 EDAB COC(=O)c1c(CN2CCN(C(C)=O)CC2)nc2ccccc2c1C 23990166 FYGIFEXISFSKOF-UHFFFAOYSA-N 341.411 1.994 0 40 EDAB NC(=O)C1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)n2)CC1 42814984 NCQYLMRSFXCYKO-VOTSOKGWSA-N 325.372 1.004 0 40 EDAB CC(=O)Nc1cc(NCC(=O)NC(=O)NC2CCCC2)ccc1F 24363886 MBIVRMRKPXJEHA-UHFFFAOYSA-N 336.367 1.964 0 40 EDAB Cn1cnnc1C1CCN(C(=O)c2cc(Br)c[nH]2)CC1 24692787 VFNLLBCZSPUZAO-UHFFFAOYSA-N 338.209 1.926 0 40 EDAB COc1ccc(CCNC(=O)[C@@H](C)S(=O)(=O)c2ccccn2)cc1 47620666 NPSDCVKYUAXIHD-CYBMUJFWSA-N 348.424 1.611 0 40 EDAB O=C(c1ccco1)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1 24996346 HSEMSMMLBKPHEN-UHFFFAOYSA-N 348.399 1.497 0 40 EDAB O=C(CN1CCO[C@H](Cn2cccn2)C1)N1CCC[C@H]2CCCC[C@H]21 106667322 NFDARPZBRCMYRB-FGTMMUONSA-N 346.475 1.765 0 40 EDAB CCOc1ccc(C(=O)[C@H](C)n2cnc3c2c(=O)[nH]c(=O)n3C)cc1 27525428 OSRBPTCHCNVAEZ-JTQLQIEISA-N 342.355 1.266 0 40 EDAB COc1ccccc1[C@@H](C)N(C)C(=O)Cn1nc2ccccn2c1=O 25113167 YECZYGQLUHUHPE-CYBMUJFWSA-N 340.383 1.724 0 40 EDAB CCN1CCO[C@H](CN2CCN([C@H](C)c3nc(C4CC4)no3)CC2)C1 106929237 MJFDJSRFUOYDEX-ZBFHGGJFSA-N 349.479 1.346 0 40 EDAB NC(=O)[C@H](CNS(=O)(=O)c1ccccc1)Cc1ccc(F)cc1 69622647 QIKBFYKWRNABGI-ZDUSSCGKSA-N 336.388 1.448 0 40 EDAB C[C@@H](NC(=O)CNc1ccccc1C(N)=O)c1ccc2c(c1)OCO2 25614568 KNLXDHFXFKMXFQ-LLVKDONJSA-N 341.367 1.804 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 35374935 SYGXLYNHYVYFFQ-WLSFQCJRSA-N 341.411 1.535 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1ccccc1 7038616 YTNMNLTZIGOSIN-LLVKDONJSA-N 334.397 1.834 0 40 EDAB CC[C@H]1CN(Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)CCO1 27115691 WMGOTODTFQUCCW-NSHDSACASA-N 333.388 1.551 0 40 EDAB Cc1cc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)no1 57946542 SSDVBWABPKWYFW-KRWDZBQOSA-N 331.416 1.541 0 40 EDAB CCOc1cc(C(=O)OCC(N)=O)ccc1OCc1ccncc1 44654109 AQOOUXCXOPAAMQ-UHFFFAOYSA-N 330.340 1.701 0 40 EDAB CC(C)(NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(N)=O 58026448 SKPIMJGNGXACFV-UHFFFAOYSA-N 328.287 1.387 0 40 EDAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1 27756903 QKDNVKPLRUNORX-UHFFFAOYSA-N 332.385 1.381 0 40 EDAB O=C(NCCCOC[C@H]1CCCO1)c1cccnc1N1CCOCC1 44895448 WRSKSPZIWDULMM-OAHLLOKOSA-N 349.431 1.234 0 40 EDAB NC(=O)Cn1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n1 58246155 OZXRMKZIEVDCSV-UHFFFAOYSA-N 330.241 1.779 0 40 EDAB Cc1ccc2nc(Cn3c(-c4ccccn4)noc3=O)cc(=O)n2c1 58283301 ARTMZFRHBZPGTN-UHFFFAOYSA-N 335.323 1.263 0 40 EDAB Cc1ccc(N(C)CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c(C)c1 58203495 NBMVSWRIAVOAQL-UHFFFAOYSA-N 342.399 1.390 0 40 EDAB O=C(CCc1nc(-c2nc[nH]n2)no1)N[C@@H]1CCCc2ccccc21 58280257 UKCZLDJRIRNZTC-CYBMUJFWSA-N 338.371 1.981 0 40 EDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@H]1Cc2ccccc2O1 58289793 RKAUDOQGECCZLL-SJLPKXTDSA-N 348.468 1.314 0 40 EDAB C[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1nnc2n1CCC2 44934591 AOEVJLVVTBOOBS-MRVPVSSYSA-N 328.298 1.317 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)C1 44935814 QHUVORUCRATRTL-HNNXBMFYSA-N 338.477 1.176 0 40 EDAB CC[C@H](CNC(=O)N1CCN(c2cnccn2)CC1)N1CCCC1 44969235 FLBNXQGSRMRWIQ-OAHLLOKOSA-N 332.452 1.183 0 40 EDAB COc1ncccc1C(=O)N1CCC(NC(=O)c2cccnc2)CC1 58377888 PNRBPFIWPFYSCA-UHFFFAOYSA-N 340.383 1.520 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)O[C@H](C(N)=O)c1ccccc1 10424908 REUAGOMOUGKNRW-UVBJJODRSA-N 327.336 1.985 0 40 EDAB CN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2O)cc1 58417188 KCAYXNAKBZOKJB-UONOGXRCSA-N 341.433 1.362 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)NCc1ccnc(N2CCOCC2)c1 28418198 NKCTZQAYPJHRNE-CQSZACIVSA-N 344.415 1.942 0 40 EDAB Cc1ccccc1[C@H](C)NC(=O)CS(=O)(=O)C[C@@H]1CCCO1 45359899 HCQWSHYBMHNVRO-KBPBESRZSA-N 325.430 1.766 0 40 EDAB C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)N(C)C)S(C)(=O)=O 48249047 UBVKHYOSIIFLJW-GWCFXTLKSA-N 332.853 1.492 0 40 EDAB CN(Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 48288217 PBPIMDIQKRXECF-OAHLLOKOSA-N 341.415 1.993 0 40 EDAB C[C@H](Sc1ncn(-c2ccccc2)n1)c1nc(N)nc(N(C)C)n1 12917030 VRCLDNWTGBCKBT-JTQLQIEISA-N 342.432 1.954 0 40 EDAB CCCNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 12978469 QWPKZMMZLDYFGY-OAHLLOKOSA-N 343.427 1.171 0 40 EDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NC(=O)NCc1ccco1 3516430 ZPLNAWABIPNHLM-UHFFFAOYSA-N 343.261 1.486 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1n[nH]c(=O)c2ccccc12 69487640 SRMBZWCDJUSBHK-GJZGRUSLSA-N 326.400 1.622 0 40 EDAB CCOc1nnc(CN2CCN(Cc3nccn3CC)CC2)s1 69487175 VLAUCJVYUUGLAU-UHFFFAOYSA-N 336.465 1.471 0 40 EDAB COc1ccc([C@H](Nc2cncc(C(N)=O)n2)c2nccn2C)cc1 80774909 UVSRGEIXMMXXIC-HNNXBMFYSA-N 338.371 1.519 0 40 EDAB O=C(c1cc2n(n1)CCCO2)N1CCN(c2ccc(F)cc2)CC1 90626555 NSSIQDVWPLFWDJ-UHFFFAOYSA-N 330.363 1.767 0 40 EDAB NC(=O)C1(N2CCN(C(=O)c3ccc(F)cc3)CC2)CCCCC1 69704981 JAGBKJSMCSXSHE-UHFFFAOYSA-N 333.407 1.772 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccco1 13843075 DUANQULGLFBGFQ-SNVBAGLBSA-N 326.349 1.402 0 40 EDAB CC(C)Cn1nc2n(c(=O)c1=O)C[C@H]1CCN(Cc3ccco3)C[C@H]21 306126824 FGGDICVUHDZZKD-HIFRSBDPSA-N 344.415 1.273 0 40 EDAB CN(Cc1ccc(OCc2nccn2C)cc1)[C@@H]1CCS(=O)(=O)C1 65463939 KTVBZSNUXPIKPC-OAHLLOKOSA-N 349.456 1.618 0 40 EDAB C[C@H](C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)n1cncn1 65437280 BMBZSDVZQIYTKG-SNVBAGLBSA-N 336.779 1.970 0 40 EDAB CC(C)CN(CCCS(=O)(=O)c1ccc(Cl)cc1)CC(N)=O 65530585 UEWVNGITAPVCMP-UHFFFAOYSA-N 346.880 1.947 0 40 EDAB CN(Cc1ccsc1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O 14112203 LCUXULQHXFYXPX-UHFFFAOYSA-N 329.381 1.410 0 40 EDAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(N)cc(N)n2)c1 6533193 NSKCKUQBBFJTIM-SECBINFHSA-N 331.401 1.963 0 40 EDAB Cc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(NC(=N)N)=NC1=O 20636308 LACHKOPLZAGWST-VIFPVBQESA-N 339.808 1.458 0 40 EDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C)nn1C 69775341 FGAWDAIPSQDHHW-OAHLLOKOSA-N 340.383 1.724 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 16783839 PYJFHBRUZSVLOC-UHFFFAOYSA-N 346.364 1.673 0 40 EDAB CC[C@@H](C)N(C)CCNC(=O)Cn1cccc(C(F)(F)F)c1=O 66126269 PXJBXTZAMNJZBB-LLVKDONJSA-N 333.354 1.714 0 40 EDAB CCCN1CCO[C@@]2(CCCC[C@@H]2NS(=O)(=O)CC(C)C)C1 306142358 WWXFFBPBTSBTDP-HOTGVXAUSA-N 332.510 1.985 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(Br)cc2F)CC1 70040901 ICGGOUJYEDZFMB-JTQLQIEISA-N 345.212 1.727 0 40 EDAB C[C@@](O)(CN1CCN(c2ccc3nncn3n2)CC1)c1ccccc1 69878708 JYPLZHWRGQPKGX-GOSISDBHSA-N 338.415 1.154 0 40 EDAB Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 69813698 CKIYTFAOKBIPPF-CYBMUJFWSA-N 349.456 1.863 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)[C@@H](C)c2cc(C)oc2C)CC1 69930074 YLVUSTJGZFGTDB-GOEBONIOSA-N 338.448 1.542 0 40 EDAB CCc1nc2n(n1)C[C@H](N[C@H](C)c1nc3ccccc3c(=O)[nH]1)CC2 69902305 CWTMTBRMHCKAGN-VXGBXAGGSA-N 338.415 1.743 0 40 EDAB OCCOc1ccc(CNCCn2cccn2)c(Br)c1 69924781 VGTSZSXYTYHLTE-UHFFFAOYSA-N 340.221 1.807 0 40 EDAB O=C1NC[C@H](C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)N1 89814045 VUYVERVCUSVPLU-CYBMUJFWSA-N 346.774 1.170 0 40 EDAB CNC(=O)CN(C)S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C 18941172 UEQYPGVQXUNBNZ-UHFFFAOYSA-N 326.462 1.967 0 40 EDAB O=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCN(C(=O)C2CC2)CC1 89830031 GIPWCBCUHKPNIJ-MRXNPFEDSA-N 344.411 1.447 0 40 EDAB C[C@@]1(C(=O)NC2CCN([C@H]3CCOC3=O)CC2)CC1(Cl)Cl 89919225 UUOYNLNJZKAIEK-GWCFXTLKSA-N 335.231 1.466 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)CCCn1nnc(-c2ccccc2)n1 89937947 OWGTZTLBTQCTTO-AWEZNQCLSA-N 328.420 1.283 0 40 EDAB COc1ccc(C(=O)CSc2nnc(-c3cc(C)n[nH]3)n2N)cc1 9374640 VPMPUXZBWIAHNF-UHFFFAOYSA-N 344.400 1.674 0 40 EDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)CN1CSCC1=O 75602212 RZBBIBHQFUFANI-SNVBAGLBSA-N 342.852 1.578 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)[C@@H]2CCCN2)cc1 96412040 BPAXIJGJEGOPSQ-HNNXBMFYSA-N 338.473 1.626 0 40 EDAB O=C(CO)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 96495293 GLPDOAKOHFHEFQ-GFCCVEGCSA-N 330.306 1.305 0 40 EDAB CCOC(=O)[C@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C1CC1 71893586 UXFGZZVORHFEEB-CQSZACIVSA-N 338.448 1.729 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCCc1nc2c(F)cccc2n1C 71893185 OQRLPZQURIRULD-UHFFFAOYSA-N 343.406 1.964 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN1CCO[C@@H](CN(C)C)C1 71878871 GWTRLBXRDFNONZ-KRWDZBQOSA-N 347.459 1.237 0 40 EDAB NC(=O)COc1cccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)c1 71865210 YWNLWZACQWOUNU-OAHLLOKOSA-N 342.399 1.442 0 40 EDAB Cc1cnn(C2CN(CC(=O)NCCCOC3CCCCC3)C2)c1 71876817 HLPPDKOYWXQFFG-UHFFFAOYSA-N 334.464 1.904 0 40 EDAB CC(C)(C)c1n[nH]c([C@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)n1 76049982 CCKXFJKAQDIIET-KGLIPLIRSA-N 343.431 1.702 0 40 EDAB COc1c([C@@H]2CCCN2CC(=O)NCc2ccccn2)c(C)nn1C 72253807 SOEKHFKGCVMVAE-HNNXBMFYSA-N 343.431 1.585 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)no1 72231981 MKRVUHFYOWMBPD-ZDUSSCGKSA-N 349.412 1.801 0 40 EDAB Cc1csc([C@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)n1 72298803 NLNDSOCLUDULHA-ZDUSSCGKSA-N 332.429 1.723 0 40 EDAB Nc1ncnc2c1ncn2CC(=O)Nc1ccc(Br)cc1 72280592 MHOQHWPFWZPHPV-UHFFFAOYSA-N 347.176 1.810 0 40 EDAB O=C(NCCCn1cccn1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 110661490 JNEJSPGMZMCHPF-YESZJQIVSA-N 331.464 1.789 0 40 EDAB Cc1cccc(N2CCC(NC(=O)c3cc(C(N)=O)cs3)CC2)n1 72286862 VLLZBGWCDJJJOJ-UHFFFAOYSA-N 344.440 1.949 0 40 EDAB Cc1nc(CNC(=O)c2cc(I)c[nH]2)no1 72290179 OCMXPAVLTGMRRD-UHFFFAOYSA-N 332.101 1.241 0 40 EDAB Cc1ccoc1-c1nnc(CN2CCC(N3CCN(C)C3=O)CC2)o1 72268117 YMSPGJMJMUIOAZ-UHFFFAOYSA-N 345.403 1.970 0 40 EDAB C[C@H]1CO[C@@H](CO)CN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 97083762 XOTOFOJAJKINNB-GXFFZTMASA-N 340.786 1.641 0 40 EDAB Cc1ccn(-c2ccccc2NC(=O)NCC(=O)NCC2CC2)n1 97047315 BYKNONYQEJIPBG-UHFFFAOYSA-N 327.388 1.828 0 40 EDAB O=C(NCCCn1ccnn1)NC1CCN(c2ccccc2)CC1 97086520 DXMZAYRERBURQD-UHFFFAOYSA-N 328.420 1.636 0 40 EDAB CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(N(C)C)nc1)CC2 97198689 DCJPBDKNUMWUIF-CYBMUJFWSA-N 328.420 1.607 0 40 EDAB CCc1noc(C)c1NC(=O)N1CCN(c2ccnc(C)n2)CC1 97135495 IWXOVFWQDGJIHL-UHFFFAOYSA-N 330.392 1.998 0 40 EDAB CC[C@H](C)c1ccccc1OCC(=O)N1CC[C@@H](OCC(N)=O)C1 72312698 WBWCVMQCGRDPJJ-UONOGXRCSA-N 334.416 1.682 0 40 EDAB O=C(Nc1nc(N2CCCCC2)n[nH]1)c1sccc1-n1cnnn1 95394875 WTYQHZYOBPFEKX-UHFFFAOYSA-N 345.392 1.085 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@@H]1N1CCOCC1 84735751 WBZYXPYDQUJPML-OIISXLGYSA-N 330.428 1.732 0 40 EDAB CCN1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)CC1 78880829 QMNDZKLIXRPUQK-CQSZACIVSA-N 327.450 1.689 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)CCCc3cccs3)C2=O)cn1 98010438 BTODJDYDQRNOLB-AWEZNQCLSA-N 332.429 1.726 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccncc1 78988581 UXBAUMQRVQDHPY-GXSJLCMTSA-N 330.310 1.605 0 40 EDAB O=C(NC[C@H]1CCC[C@@H]1O)c1cn(-c2cccc(Cl)c2F)nn1 95989130 VKZVKHDHJLULAP-RNCFNFMXSA-N 338.770 1.951 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(-n3ccnc3)nc2)C1 79060240 QNQFIHMXNHTLAJ-OAHLLOKOSA-N 342.403 1.077 0 40 EDAB CCn1c(CN2C[C@@H](C)O[C@@H](C(=O)OC)C2)nc2cc(F)ccc21 89302612 OYKFQQUUYMVLRD-IAQYHMDHSA-N 335.379 1.958 0 40 EDAB CCn1ccnc1CN1CCC[C@H]([C@@]2(C)NC(=O)N(C(C)C)C2=O)C1 89310002 ZTXDJUNFAROSHM-KBXCAEBGSA-N 347.463 1.834 0 40 EDAB C[C@H](NS(=O)(=O)N(C)C)[C@@H](O)c1ccc(Br)cc1 89598503 LYPZQKWRJIBQCY-GZMMTYOYSA-N 337.239 1.267 0 40 EDAB CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC 408710068 NOVSNVKIAURHGF-UHFFFAOYSA-N 341.367 1.310 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]12 409282147 NYAJYGWWSZCZRN-VWPFQQQWSA-N 331.299 1.202 0 40 EDAB CO[C@H]1C[C@@H](CN(C)C(=O)Cc2cc3ccccc3nc2O)N(C)C1 551953317 QXEGXRFVNFGADH-HOTGVXAUSA-N 343.427 1.660 0 40 EDAB CC(C)CC(=O)N1CC2(CCN([C@@H]3CCN(C(C)C)C3=O)CC2)C1 1050414140 MTUAUAPSXKCMBZ-MRXNPFEDSA-N 335.492 1.966 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)C 217528764 YTRIEWOPBVKLFW-JTQLQIEISA-N 330.406 1.518 0 40 EDAB Cc1nc(C[C@@H]2CCCN(C(=O)NCCCn3ccnn3)C2)no1 182492028 LSSJMUFDVWNGEK-ZDUSSCGKSA-N 333.396 1.024 0 40 EDAB O=C1C[C@H](Cn2nnnc2Cc2ccc(Br)cc2)CN1 521395001 NTUOJTCISCUSHD-JTQLQIEISA-N 336.193 1.163 0 40 EDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCc1ccncc1 524734103 XEBSBNASDSDALV-UHFFFAOYSA-N 328.420 1.768 0 40 EDAB O=C(CSc1ncnc2[nH]cnc12)Nc1nnc(C2CC2)s1 524735568 KRMWUIHQFGPIKN-UHFFFAOYSA-N 333.402 1.813 0 40 EDAB COc1ccc([C@@H](NC(=O)NC[C@H]2CCN(C)C(=O)C2)C2CC2)cn1 528025976 KJKFXXLYQQUFEW-SJCJKPOMSA-N 346.431 1.709 0 40 EDAB O=C(c1cccnc1)N1CCNC[C@@H](COCc2ccccc2)C1 72354470 SLDABXLLPPVKDW-QGZVFWFLSA-N 325.412 1.960 0 40 EDAB Cn1cccc1[C@H](CNC(=O)NCc1cccs1)N1CCOCC1 38676050 NCJXNGJYUHLVAK-INIZCTEOSA-N 348.472 1.959 0 40 EDAB COCCNc1cc([C@@H]2CN(C3CCOCC3)CCO2)nc(C)n1 72387737 MOZHCNHNUMCMML-INIZCTEOSA-N 336.436 1.396 0 40 EDAB C[C@H](NC(=O)NCc1cccnc1N(C)C)C(=O)Nc1ccccc1 78988633 QFRATWBNRPULKV-ZDUSSCGKSA-N 341.415 1.974 0 40 EDAB CCn1ncc(C(=O)N2CCC(O)(c3cccnc3F)CC2)c1C 72340028 WCBQYAGFFTYDBW-UHFFFAOYSA-N 332.379 1.869 0 40 EDAB COC(=O)C1=NO[C@@H](C(=O)N2CC=C(c3ccc(OC)cc3)CC2)C1 78718370 OJRSVCMUMRASAR-MRXNPFEDSA-N 344.367 1.629 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)c1ccsc1)Cc1ccccc1 560417087 ILLDNVADSUOITK-LBPRGKRZSA-N 325.411 1.970 0 40 EDAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccccc1 218013023 JBTQCEBIQQKOKJ-HEHGZKQESA-N 340.445 1.419 0 40 EDAB COC(=O)CNC(=O)[C@@H](C(C)C)n1cnc2cc(F)c(F)cc21 61342329 VZTIWKNXMBHNQJ-CQSZACIVSA-N 325.315 1.801 0 40 EDAB CCOC(=O)CCS(=O)(=O)N1CCC(C)=C(Br)C1 281607561 KJMFCPMIOZVSTH-UHFFFAOYSA-N 340.239 1.644 0 40 EDAB O=C(Nc1cccc(CS(=O)(=O)N2CCCC2)c1)[C@H]1CCCO1 223220597 XPSYTDCJWPWRJZ-OAHLLOKOSA-N 338.429 1.730 0 40 EDAB CCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3cn[nH]c3)cc2)CCO1 1065336961 TYQHLBDBBVNKGQ-INIZCTEOSA-N 342.399 1.444 0 40 EDAB C[C@@H]1CN(C)C[C@H](c2nc(Cn3cc(Br)cn3)no2)O1 527545115 OYVGKZPJDMDRHC-PSASIEDQSA-N 342.197 1.469 0 40 EDAB CCCS(=O)(=O)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96202286 ZXEDOBDAUNQTGD-MRXNPFEDSA-N 339.461 1.350 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 96049183 HXOGBAWOMBMMIY-GOSISDBHSA-N 346.431 1.101 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1)S(C)(=O)=O 96423029 QPMRUAUHXADQCB-VXGBXAGGSA-N 344.864 1.858 0 40 EDAB c1csc(CN2CCOC[C@@H]2c2nccc(N3CCOCC3)n2)c1 96218746 JMVLWKYLJLEFGW-OAHLLOKOSA-N 346.456 1.948 0 40 EDAB Cc1occc1C(=O)N1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 96239317 FSXWQGONBUVQSA-KRWDZBQOSA-N 328.372 1.591 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3OCC[C@@H](c4nnc(C)o4)[C@H]3C2)cn1 96066405 RLDZEYVNIWBERY-UMVBOHGHSA-N 343.387 1.511 0 40 EDAB C[C@H]1CO[C@@H](CO)CN1C(=O)C1(C)CCN(Cc2ccccc2)CC1 97103162 VNWLDTMLQDKNND-FUHWJXTLSA-N 346.471 1.897 0 40 EDAB COCCN1CCC[C@@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 577761067 BTKRUCVYOALFAN-CQSZACIVSA-N 331.420 1.187 0 40 EDAB CCN1CCN(C(=O)c2cc(C(C)C)nc(N3CCOCC3)n2)CC1 96101195 JBDHGOVDVJVYED-UHFFFAOYSA-N 347.463 1.214 0 40 EDAB CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@H]1C(=O)N1CCC1 96113108 LFGVSQIFUIULLT-GOEBONIOSA-N 331.416 1.179 0 40 EDAB biogenic,in-vitro CC(=O)N1CCCc2cc(C(=O)N3CC[S@@](=O)C(C)(C)C3)ccc21 95413069 NPRQOFGNWFCTAU-DEOSSOPVSA-N 348.468 1.969 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@@]2(CCCN(Cc3ccccn3)C2)C1 96158079 AYUXYIZIUMEQKO-QGZVFWFLSA-N 335.473 1.862 0 40 EDAB Cc1nccn1CCCN1CCC(CC(=O)N2CCOCC2)CC1 96485953 KBUAWIRPBSBTOW-UHFFFAOYSA-N 334.464 1.543 0 40 EDAB O=C(NC[C@@H](O)c1ccc(O)cc1)c1cnc(-c2cccnc2)nc1 97514465 YGQNWVTXLYFVDI-MRXNPFEDSA-N 336.351 1.708 0 40 EDAB Cc1oncc1C(=O)N1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 96201747 RHMZWXMSSRICSW-KZULUSFZSA-N 340.383 1.893 0 40 EDAB CCN1C(=O)CO[C@@H]2CN(C(=O)c3cnc4ccccc4c3)C[C@H]21 96246283 TXVDTSROMOEHOM-HZPDHXFCSA-N 325.368 1.307 0 40 EDAB O=C(NCc1cccc(Cn2cccn2)c1)N[C@H](C(=O)O)C1CC1 580692496 GBLLYUFIKNQTAP-HNNXBMFYSA-N 328.372 1.594 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2[C@H]1CCN2S(=O)(=O)C1CC1 96184516 IFPRZZLJPQPTBL-CABCVRRESA-N 325.434 1.432 0 40 EDAB Cn1cccc1C(=O)NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2 96108438 HJXZZAPNOREADC-APWZRJJASA-N 340.427 1.299 0 40 EDAB COCc1ccc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)o1 583621147 CPDVHRIWOQLDTP-SUMWQHHRSA-N 346.431 1.972 0 40 EDAB COc1ccc(CNC(=O)C2CCN(Cc3noc(C)n3)CC2)cc1 96445753 NTBUKCRWTWSXKY-UHFFFAOYSA-N 344.415 1.915 0 40 EDAB O=C1C[C@H](c2cccnc2)C2(CCN(C(=O)c3ccccn3)CC2)N1 96061471 KSVQCXVYPNQYOB-OAHLLOKOSA-N 336.395 1.755 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)NC1CCCCCC1 245230382 QJCXTFPFAWZWOQ-OZINRZGZSA-N 342.439 1.879 0 40 EDAB Cn1cc(C(=O)N2CC3(C[C@H](Oc4ccccn4)CS3)C2)cn1 248155589 VPQXLFPCPKXZLT-ZDUSSCGKSA-N 330.413 1.594 0 40 EDAB Cc1ncccc1NS(=O)(=O)c1ccc2c(c1)O[C@H](C)C(=O)N2 252478289 AIOKCMUDMQMROK-SNVBAGLBSA-N 333.369 1.910 0 40 EDAB CC(=O)N[C@H]1CC[C@](CNC(=O)C2CC2)(c2ccccc2)CC[C@@H]1O 257342330 ZOEAADBHKXFQLJ-BJLQDIEVSA-N 344.455 1.890 0 40 EDAB COC(=O)c1ccc2nc(CNC(=O)N3CCSCC3)[nH]c2c1 585134946 PYOPVIXCAJAAEU-UHFFFAOYSA-N 334.401 1.608 0 40 EDAB Cc1cccc2nc(C(=O)N(C)[C@@H]3CC[C@@H](N4CCCC4)[C@@H]3O)cn12 257289682 PZUDLPAFILUWPG-JFIYKMOQSA-N 342.443 1.702 0 40 EDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)c3cscn3)C[C@@H]21 257312776 UPLNDBXIUHESSG-MBNYWOFBSA-N 329.429 1.920 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)CC2(O)CCCCC2)n1 257325066 WRHJTAQUELMRMM-CQSZACIVSA-N 335.404 1.476 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)s1 257325711 WUCQBARGCVZRMZ-JTQLQIEISA-N 339.442 1.813 0 40 EDAB COc1ccc(C(=O)N2CCOC[C@@H](Cc3cnccn3)C2)cc1 257295154 QXEURAFODKIVPI-AWEZNQCLSA-N 327.384 1.817 0 40 EDAB CCCC[C@H]1Oc2ccc(S(=O)(=O)NCCOC)cc2NC1=O 252491697 LQYDHYPMSAADQB-CQSZACIVSA-N 342.417 1.501 0 40 EDAB CC(C)[C@@H](NC1CCOCC1)C(=O)NCc1nc2cccnc2[nH]1 283116084 VYSVIKAIZLRLHU-OAHLLOKOSA-N 331.420 1.367 0 40 EDAB O=C(CO)NCCc1nc(-c2cc(Br)cs2)no1 1616037282 GFIFWTDLFUHOQJ-UHFFFAOYSA-N 332.179 1.212 0 40 EDAB O=C(NCCc1ccccc1)C1CN(c2cc(-n3ccnc3)ncn2)C1 390827690 JCTDBHDNPZXXSI-UHFFFAOYSA-N 348.410 1.457 0 40 EDAB CC(C)CC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccsc3)[C@H]2C1 575404644 OUYXRWSFVQJZAE-RRFJBIMHSA-N 336.457 1.997 0 40 EDAB O=C(c1ccc(O)nn1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575607053 WZYBUJVQIHFLER-SNVBAGLBSA-N 335.751 1.309 0 40 EDAB CNc1ncc(CN2CCC[C@](O)(COc3ccc(C)cc3)C2)cn1 585278393 SFBGZXYMWWEABH-LJQANCHMSA-N 342.443 2.233 0 40 EDAB Cc1cc(NC[C@@H](CO)Cc2cnn(C)c2)nc(-c2ccccn2)n1 585141996 LCQMZDRUWYTFPE-HNNXBMFYSA-N 338.415 1.844 0 40 EDAB COc1ccc(OC)c2c1CN(C(=O)NC[C@@H]1CCOC1)C[C@@H]2O 47067332 FUDNBAOMZSOZOW-AAEUAGOBSA-N 336.388 1.299 0 40 EDAB O=C(Cc1ccc2c(c1)CCO2)N(C1CC1)[C@H]1CCS(=O)(=O)C1 73301174 UCVPIBOLFDAWQC-HNNXBMFYSA-N 335.425 1.342 0 40 EDAB CCc1nc(CN(C)[C@H]2CCN(Cc3nnsc3Cl)C2)no1 78891459 VYQNFSMCPGWIRB-VIFPVBQESA-N 342.856 1.843 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCC(N2CCC[C@@H]2CO)CC1 96099740 XOXNBNBFFDBNBK-CQSZACIVSA-N 342.436 1.436 0 40 EDAB CCc1ccsc1C(=O)NS(=O)(=O)c1cnn2c1OCCC2 1615574538 BUBQFALTPTWNRQ-UHFFFAOYSA-N 341.414 1.408 0 40 EDAB c1ccc(-n2ccc(-c3noc([C@]45CNC[C@H]4CCOC5)n3)n2)cc1 1615591299 VPBUQSZBLRIFQS-ACJLOTCBSA-N 337.383 1.800 0 40 EDAB CC[C@@H]1CN(C(=O)CC(C)C)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772594857 BPCPBXFTHBIQKS-BRSBDYLESA-N 340.508 1.989 0 40 EDAB O=C(Nc1nnc2n1CCS2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 17156091 WHGFSNZUGOHVAH-VIFPVBQESA-N 347.375 1.515 0 40 EDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)CC(=O)NC(C)(C)C 7659534 OIHSELMKQSJQQU-LBPRGKRZSA-N 349.431 1.631 0 40 EDAB Cn1ccc([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)n1 390830589 MBSGYFRQQDKZBS-AWEZNQCLSA-N 347.440 1.923 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC(COc2ccc3nccn3n2)CC1 1888850405 LMRTZLNILUXLCY-CQSZACIVSA-N 330.388 1.383 0 40 EDAB O=C([C@@H]1CN(c2ccnc3ccccc23)CCO1)N1CCOCC1 1889131829 ZOVVVVFIMANHLS-KRWDZBQOSA-N 327.384 1.299 0 40 EDAB C[C@@H](Nc1cccc(I)c1)C(=O)NC(N)=O 20308894 GVNXCUFMFMGFBN-ZCFIWIBFSA-N 333.129 1.287 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1ccc(Cl)nc1 22968835 CJXRTZUJERJBIJ-RYUDHWBXSA-N 336.775 1.953 0 40 EDAB Cc1ccnc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)n1 1776009160 VEHOFQQUVKUWQP-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB COc1ncccc1CNC(=O)c1ccc(OC[C@@H]2CCCO2)nc1 244909692 ARSIMKLDOAWAIN-HNNXBMFYSA-N 343.383 1.973 0 40 EDAB CNC(=O)[C@]1(C)CN(C(=O)c2c(C)n(C)c3ccccc23)CCO1 2037644236 PJGWPXNMOKEWMK-SFHVURJKSA-N 329.400 1.464 0 40 EDAB Cc1cc(C)nc(N2CCOC[C@]3(CC(=O)N(CC(C)C)C3)C2)n1 1565543026 GDSLIRXSFGGWBF-GOSISDBHSA-N 332.448 1.805 0 40 EDAB COCCCNC(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O 2952336 YAPHWGQQYAPPSF-UHFFFAOYSA-N 333.388 1.013 0 40 EDAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)NC(C)(C)C)cnc21 4479075 CAJYXCHCQHZHMG-UHFFFAOYSA-N 339.399 1.805 0 40 EDAB O=C(NCc1cccs1)C(=O)N1CCN(c2ccccc2F)CC1 10326546 PGTYPHGHFIPEAG-UHFFFAOYSA-N 347.415 1.852 0 40 EDAB Cn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21 13531880 DSXVYALNUZZJLG-UHFFFAOYSA-N 328.401 1.209 0 40 EDAB O=C(c1cn[nH]c1)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1775974794 QHYSOTLJCLFUEV-UHFFFAOYSA-N 339.330 1.470 0 40 EDAB Cc1ccc(C)c2sc(NC(=O)CN(C)S(C)(=O)=O)nc12 36695449 UNHWGFRXVDOTEI-UHFFFAOYSA-N 327.431 1.743 0 40 EDAB CC(C)(C)NC(=O)N1CCC(CNC(=O)NC[C@H]2CCCO2)CC1 225553980 ZSKJWFYVNBUMSF-CQSZACIVSA-N 340.468 1.685 0 40 EDAB O=c1[nH]c2c(-c3ccccn3)nsc2c(=O)n1Cc1ccccn1 49410006 AWPTUPSJJXTWLN-UHFFFAOYSA-N 337.364 1.652 0 40 EDAB Cc1cc(N2C[C@H]3CN(C(=O)[C@@H](C)n4cccn4)C[C@H]3C2)ncn1 1065960351 FKQZILHVEFBUEO-KFWWJZLASA-N 326.404 1.137 0 40 EDAB NS(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 34258669 IVZXKRNKHKZBJG-UHFFFAOYSA-N 336.394 1.526 0 40 EDAB CCOC(=O)[C@H](N)CSCCCN1C(=O)c2ccccc2C1=O 20218596 BGFWUCUWTCUINV-CYBMUJFWSA-N 336.413 1.296 0 40 EDAB COc1cc(C(=O)NCCc2ccco2)cc(OC)c1OCC(N)=O 24590322 WCSAEGAQXZYILJ-UHFFFAOYSA-N 348.355 1.133 0 40 EDAB C[C@H](Oc1cccc(F)c1)C(=O)NCCc1nnc2ccccn12 24572873 OXCYYZWJPVRAMV-LBPRGKRZSA-N 328.347 1.995 0 40 EDAB O=C(c1cn(Cc2ccccc2)nn1)N1CC[C@@](O)(C(F)(F)F)C1 77991394 ADDVZRQUWRQKFD-AWEZNQCLSA-N 340.305 1.466 0 40 EDAB CCNC(=O)CCN1CCC(C(=O)NCCc2ccccc2F)CC1 47937278 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345.262 1.944 0 40 EDAB Cc1cccc(OCC(=O)NC(=S)Nc2ccccc2C(N)=O)c1 6814862 HNXDHQYXZXYLPB-UHFFFAOYSA-N 343.408 1.986 0 40 EDAB COc1ncccc1CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 57990890 SXQKAODJTDJOBM-LLVKDONJSA-N 332.326 1.526 0 40 EDAB COc1c([C@H]2CCCN2C(=O)c2ccc3nncn3c2)c(C)nn1C 75602464 CHQAHXVTXVUCNC-CYBMUJFWSA-N 340.387 1.757 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)NCCn2ccnc2)C1=O 44889970 YSMVVWFMVYXJIN-CYBMUJFWSA-N 328.372 1.204 0 40 EDAB C[C@H](C(=O)NCC(F)(F)F)N1CCCC[C@@H]1CN1CCOCC1 75969135 AKAPLSHOJIZLNK-CHWSQXEVSA-N 337.386 1.240 0 40 EDAB Cc1cnn(CCC(=O)N2CCO[C@@H](c3nc(C(C)(C)C)n[nH]3)C2)c1 76046261 JOWAURYODFPKCO-CYBMUJFWSA-N 346.435 1.597 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H](C)C(=O)N1CCCCC1)C2 58294707 HQCLHOMDGRAVNF-HIFRSBDPSA-N 346.427 1.764 0 40 EDAB CCN1CCC(N(C(=O)CNC(=O)/C=C/c2ccco2)C2CC2)CC1 58261371 UWGAKAONEYHROI-BQYQJAHWSA-N 345.443 1.884 0 40 EDAB Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 76942523 GWWAUIHNQHBMDB-QZTJIDSGSA-N 341.455 1.521 0 40 EDAB O=C1OCC[C@H]1Sc1nnc(N2CCCC2)n1C[C@@H]1CCCO1 58394038 DXYFVHNZCOZGRP-NWDGAFQWSA-N 338.433 1.465 0 40 EDAB CCNC(=O)CN1CCN(C(=O)c2ccc(N(CC)CC)cc2)CC1 58367585 WAMNRBFBGPCBCL-UHFFFAOYSA-N 346.475 1.427 0 40 EDAB Cc1cc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)n(C)n1 58323064 MUQLRNHRGUDREL-UHFFFAOYSA-N 347.463 1.965 0 40 EDAB COCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCSCC1 57613888 XXFPTXTXKRHVSI-CQSZACIVSA-N 337.424 1.597 0 40 EDAB O=C(O[C@H]1CCS(=O)(=O)C1)c1nn(-c2ccccc2)c2c1CCC2 58382443 MGVFQPVLKKVGOZ-ZDUSSCGKSA-N 346.408 1.705 0 40 EDAB Cc1c(C(=O)NCc2ccsc2)cnn1[C@H]1CCS(=O)(=O)C1 58312101 JYJFUPQAJBOHJT-LBPRGKRZSA-N 339.442 1.543 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)c3ccncc3)CC2)C1=O 108530324 YVJIGTAGMONKOC-SFHVURJKSA-N 331.416 1.573 0 40 EDAB O=C1CN(Cc2nc3scc(-c4cccs4)c3c(=O)[nH]2)CCN1 58450002 ZNMOXLLBNROGAP-UHFFFAOYSA-N 346.437 1.645 0 40 EDAB NS(=O)(=O)c1cnc(N2CCO[C@H](c3ccccc3)C2)s1 58426727 VCUBEJQRZDOPIA-NSHDSACASA-N 325.415 1.368 0 40 EDAB O=C(NCCn1ccnc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 45197152 RCBZZLQBYGDBKX-GFCCVEGCSA-N 332.791 1.706 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C1 28199922 JFDUXKVFEIGDGI-ZIAGYGMSSA-N 338.473 1.896 0 40 EDAB COCc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 36383781 XBAHGHHRPNRSKT-UHFFFAOYSA-N 345.443 1.213 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@@H](C)c3ccncc3)CC2)on1 45562371 QGRCBFVXWYVFPS-AWEZNQCLSA-N 329.404 1.966 0 40 EDAB CCOC(=O)C1CCN(S(=O)(=O)c2c(C)nn(CC)c2C)CC1 36614639 CDSSIEZCXZWSFH-UHFFFAOYSA-N 343.449 1.484 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)Nn1cnc2ccccc21 28819646 JYXOCVWUHPGQIG-UHFFFAOYSA-N 338.367 1.935 0 40 EDAB CCOc1cc(Br)cc(/C=C2/NC(=S)NC2=O)c1O 100229808 ISLNTQBSCUBNCH-XBXARRHUSA-N 343.202 1.899 0 40 EDAB O=C(O)c1ccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)cc1 2654620 BSOCZHDAORZBNR-UHFFFAOYSA-N 334.313 1.168 0 40 EDAB CCOc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 2713060 XFWGDNMXXBFNMT-UHFFFAOYSA-N 327.344 1.167 0 40 EDAB CCc1ccc(-n2nnc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2C)cc1 12274106 RDFSCUZAURKUDF-ZDUSSCGKSA-N 348.428 1.055 0 40 EDAB Cn1c(=O)c2cc(NC(=O)N3CCCCCC3)cnc2n(C)c1=O 61380221 LATHDHPCYXYWLG-UHFFFAOYSA-N 331.376 1.040 0 40 EDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc(F)c1F 12795517 KYEKZQIYJJZIJO-GFCCVEGCSA-N 346.399 1.090 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(Br)cc2F)CC1 12778516 HQHARAJHRKJMOK-UHFFFAOYSA-N 329.169 1.893 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)CCc1nnc(-c2ccccc2)o1 48236555 BBUKNYVYAOHVHW-AWEZNQCLSA-N 344.415 1.946 0 40 EDAB CNC(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1 62378437 QFSWLCDBCUUDPS-NSHDSACASA-N 344.371 1.466 0 40 EDAB COc1cccc(NC(=O)[C@H](C)OC(=O)C2CCN(C(N)=O)CC2)c1 12945833 JWGFWSIPVGPMPD-NSHDSACASA-N 349.387 1.356 0 40 EDAB COc1ccccc1C(=O)NC(=O)COC(=O)c1cccc(C)c1O 3514379 WOVQMTIXVYMCNT-UHFFFAOYSA-N 343.335 1.823 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 69935940 HDIKJQXOCSMTEP-GOEBONIOSA-N 349.479 1.543 0 40 EDAB COCCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 113966350 OVVBFTSEEFYMQO-UHFFFAOYSA-N 346.424 1.525 0 40 EDAB Cc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(C)c(C)c2)no1 6109753 XKDLYJQTGWGWMW-UHFFFAOYSA-N 345.355 1.512 0 40 EDAB COC[C@@H](C)NC(=O)CCc1nc2ccccc2c(=O)n1C1CC1 65452327 BAQHWANHBLQQMG-GFCCVEGCSA-N 329.400 1.815 0 40 EDAB CN1CCN(c2ccc(CNC(=O)c3cc(C4CC4)on3)cn2)CC1 65415670 NOWFEDKKJBUSEL-UHFFFAOYSA-N 341.415 1.629 0 40 EDAB Cc1noc(C)c1CNC(=O)C1CCN(Cc2nccn2C)CC1 95955270 SAVIPGZDGLPJJU-UHFFFAOYSA-N 331.420 1.553 0 40 EDAB COCCN1CC[C@H](CNC(=O)COc2ccc(F)cc2F)C1 65625901 PEOZOJCPLMANDL-GFCCVEGCSA-N 328.359 1.428 0 40 EDAB COc1ccc(CN(C(=O)[C@@H]2C[C@@H]2C)[C@@H]2CCS(=O)(=O)C2)cc1 71816283 BPQDYZBPBIVOIR-JGGQBBKZSA-N 337.441 1.867 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 71881826 SGIZBTKHSHJKAF-GOSISDBHSA-N 342.443 1.460 0 40 EDAB O=C(OCc1cc(=O)n2ccccc2n1)[C@@H]1COc2ccccc2O1 14760869 BWRZMSUMKDSRBU-HNNXBMFYSA-N 338.319 1.578 0 40 EDAB CSCc1nc2ccccc2n1CC(=O)N(CC(=O)O)C1CC1 95969889 UUMBCUFVWMGAMR-UHFFFAOYSA-N 333.413 1.975 0 40 EDAB COc1ccccc1Nc1nc(N)nc(CN2C[C@@H](C)O[C@H](C)C2)n1 14914265 IZYPEDXBQJEZJX-VXGBXAGGSA-N 344.419 1.815 0 40 EDAB C[C@@H](C(=O)NC(=O)NC1CC1)N1CCO[C@H](c2cccc(F)c2)C1 66848398 BPNDSVVLWYPFST-NHYWBVRUSA-N 335.379 1.576 0 40 EDAB COc1cccc(-c2nnn(CC(=O)NCc3cccs3)n2)c1 15554855 ZJNIPPJPIJAWGQ-UHFFFAOYSA-N 329.385 1.727 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(OC)c1 7398200 FPRSPUQQAVRLJJ-QGZVFWFLSA-N 347.371 1.363 0 40 EDAB CC(C)[C@H](NCC(F)(F)F)C(=O)N[C@H](C)C(=O)NC(C)(C)C 71922194 QTERDKDRDQAZEY-ZJUUUORDSA-N 325.375 1.582 0 40 EDAB C[C@H](CNC(=O)c1csc(-c2cnn(C)c2)n1)CN1CCOCC1 71915566 KPGWGJCUXTZOJN-GFCCVEGCSA-N 349.460 1.242 0 40 EDAB CC(=O)N(CCc1ccccc1)CC(=O)N1CC[C@]2(CCOC2)C1 90439890 FWTIHQRRDZDXFD-IBGZPJMESA-N 330.428 1.717 0 40 EDAB CC[C@@H](C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 7647217 OAJDIZXAFGHWRF-UONOGXRCSA-N 339.413 1.027 0 40 EDAB Cc1cccc2nc(CNC(=O)C3CCN(C(=O)N(C)C)CC3)cn12 68570960 JIQNIUONJLLBLZ-UHFFFAOYSA-N 343.431 1.653 0 40 EDAB Cc1c(C(=O)O)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 68589879 UKNJBXYLHCRFQE-UHFFFAOYSA-N 343.387 1.750 0 40 EDAB in-vitro C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(F)cc1F 7866086 DIPXYPUYSHMQMT-RXMQYKEDSA-N 326.332 1.434 0 40 EDAB CCc1ncc2c(n1)CN(C[C@@H](O)CN(C)Cc1ccccc1)CC2 72268753 MDKUGEOQJVXOES-SFHVURJKSA-N 340.471 1.890 0 40 EDAB COC(=O)c1c(CC(=O)NCC2(O)CCCC2)[nH]c(C(C)=O)c1C 72283846 LXQYBCQLGKYAFU-UHFFFAOYSA-N 336.388 1.276 0 40 EDAB Cc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)NCCC1=CCCCC1)CC2 72268035 TZENWYCHYAQQRD-BBRMVZONSA-N 331.464 1.886 0 40 EDAB c1cn2cnnc2c(N2CCC[C@H](c3nnc4n3CCCCC4)C2)n1 72289798 JHMRDZRZCUERLQ-ZDUSSCGKSA-N 338.419 1.826 0 40 EDAB CCOC(=O)CN(C[C@H]1CCCO1)C(=O)c1cccc(N(C)C)c1 72297034 GHKZCLKBCFNPDN-MRXNPFEDSA-N 334.416 1.937 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccc(OC)cc2)n[nH]1 8476218 CWKFSHBTPJJCQD-SECBINFHSA-N 349.416 1.807 0 40 EDAB Cc1cc(N2C[C@H](C(=O)N[C@@H](C)c3ncon3)CC2=O)ccc1F 97079749 AOHWPJRNFAAKGH-WDEREUQCSA-N 332.335 1.747 0 40 EDAB Cc1nc(CN2CCN(c3ccc4nnc(C)n4n3)CC2)oc1C 69560904 PBSZNLSERWXFPJ-UHFFFAOYSA-N 327.392 1.360 0 40 EDAB CN1CCO[C@@H](CNC[C@H](O)COCc2ccccc2Cl)C1 69570229 PUBFMGYUUHVNQJ-GJZGRUSLSA-N 328.840 1.138 0 40 EDAB NS(=O)(=O)CCNC(=O)[C@@H](OC1CCCC1)c1ccccc1 69521512 SORJLKVWALCBHU-AWEZNQCLSA-N 326.418 1.092 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CSc1ccccc1 69532204 SODATWUKWINJCO-MRXNPFEDSA-N 349.500 1.838 0 40 EDAB O=C(O)[C@H]1CCC(=O)N(CCNc2ncccn2)[C@H]1c1cscn1 69585681 NOLQAVIUKLDVMF-GXFFZTMASA-N 347.400 1.410 0 40 EDAB Cc1ccc(C)c(-n2nc(C)cc2NC(=O)Cn2ncn(C)c2=O)c1 97048304 JHUANQJORQSXMM-UHFFFAOYSA-N 340.387 1.331 0 40 EDAB Cc1noc([C@@H](C)N[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 69624804 NCMWBVPWSCDOPI-MFKMUULPSA-N 332.408 1.954 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC(Nc3cccnn3)CC2)CN1CC1CC1 69655171 PRKVAKLMMUPFEX-CQSZACIVSA-N 343.431 1.138 0 40 EDAB NC(=O)c1ccsc1NC(=O)CCN1CCC(n2cncn2)CC1 69841581 WRGUMLGVSPYXCG-UHFFFAOYSA-N 348.432 1.104 0 40 EDAB CCNC(=O)N[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2)C[C@@H]1OC 69842948 XCDSIFBZOCXEHU-QEJZJMRPSA-N 334.420 1.032 0 40 EDAB COCCN(CC(F)F)C(=O)N[C@H]1CCCN(c2ncccn2)C1 69841754 RZCFPODSIQXOSJ-LBPRGKRZSA-N 343.378 1.369 0 40 EDAB Cc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](C)c1ncc(C)s1)CC2 97110565 IWRANHMDPFTQTH-SKDRFNHKSA-N 334.449 1.769 0 40 EDAB CCN(Cc1cccc(F)c1)C(=O)CN1CCO[C@@H](CN(C)C)C1 69951539 YLQBVUDSJAMRHQ-KRWDZBQOSA-N 337.439 1.437 0 40 EDAB COCCNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408704316 LTZGZENSFROOPQ-UHFFFAOYSA-N 348.424 1.891 0 40 EDAB CCc1nnc(CN2CCC[C@H]([C@@]3(C)NC(=O)N(C(C)C)C3=O)C2)o1 89296251 JZHRBBMHXNHZBP-YVEFUNNKSA-N 349.435 1.563 0 40 EDAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cccc3[nH]ccc23)CC1 72310340 ZTJRXJVSTBNDHO-CQSZACIVSA-N 342.443 1.840 0 40 EDAB COC(=O)NCC(=O)NCc1cccc(CN2CCC(C)CC2)c1 72313440 XPHLHMOKQAWICU-UHFFFAOYSA-N 333.432 1.891 0 40 EDAB CN1C(=O)N(CC(=O)NCc2ccncc2)C(=O)C12CCCCC2 72400993 VRFXSPBOXFLYEB-UHFFFAOYSA-N 330.388 1.295 0 40 EDAB CCN(CC)CCn1cc(S(=O)(=O)N2CCCCC2)ccc1=O 97377175 MSAKTVKXVFIBRV-UHFFFAOYSA-N 341.477 1.365 0 40 EDAB Cc1noc(COCC(=O)N2CCO[C@@H](c3ccccc3F)C2)n1 72574670 NJWZQTCUYVUVAD-CQSZACIVSA-N 335.335 1.634 0 40 EDAB O=C(OCCn1cc(Br)ccc1=O)c1cnsn1 95463490 YWFRBMQYCABFOQ-UHFFFAOYSA-N 330.163 1.319 0 40 EDAB CN(Cc1ccccc1OC(F)(F)F)C(=O)CN1CCOCC1 95451412 YEGRXNGHMGOVPN-UHFFFAOYSA-N 332.322 1.876 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCCC[C@@H]2Cn2ccnn2)c1 95456731 MAMKFYBVFOFFSV-CQSZACIVSA-N 330.388 1.990 0 40 EDAB C[S@](=O)c1ncn(C[C@@H](O)COCc2ccccc2Cl)n1 95438984 HXOVXLULIHNZRT-WSVYEEACSA-N 329.809 1.247 0 40 EDAB CC[C@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1N1CCOCC1 84735922 YKRQWOPMEQMPLN-MAUKXSAKSA-N 342.443 1.606 0 40 EDAB NS(=O)(=O)CCNC(=O)CCn1ccc2cc(Cl)ccc21 89486131 MZHSWIUCFZRJFK-UHFFFAOYSA-N 329.809 1.090 0 40 EDAB Cc1c(C(=O)NCCc2nnc3ccccn23)c(=O)[nH]c2ccccc12 89568315 SNCHISASUMMXGL-UHFFFAOYSA-N 347.378 1.852 0 40 EDAB CCc1nc(CN2CCC[C@H](NCC3CCN(C(C)=O)CC3)C2)no1 75133989 DMHGDCPXNYAELV-INIZCTEOSA-N 349.479 1.445 0 40 EDAB O=C(Cc1cccnc1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 89834976 VPZIWAKHRLCWAE-OALUTQOASA-N 337.423 1.736 0 40 EDAB CN(C)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408908672 XSIUQITZZHIYMT-UHFFFAOYSA-N 325.217 1.848 0 40 EDAB CCN(Cc1nonc1C)C(=O)Cn1nc(C(F)(F)F)cc1C 28233567 CHYYQLUZTHIODM-UHFFFAOYSA-N 331.298 1.950 0 40 EDAB Cc1cnc([C@H](C)NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)s1 79080903 WMMVZMIBTLLTDI-KBPBESRZSA-N 338.477 1.876 0 40 EDAB CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3cccs3)C[C@H]1C2 306137879 RJAWZPPYNPFQCF-NEPJUHHUSA-N 331.445 1.394 0 40 EDAB COC(=O)[C@@H](CCSC)NS(=O)(=O)c1cc(C)cc(C)c1 64219803 PKXTWDZRUFIRIO-CYBMUJFWSA-N 331.459 1.876 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3nccs3)C[C@H]1C2 306143153 XUSFEMOHOYTHDF-NEPJUHHUSA-N 346.460 1.177 0 40 EDAB C[C@H](O)CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707687 QNZFNMHZGINZNG-AWEZNQCLSA-N 326.396 1.432 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)c1ccsc1)Oc1ccc(F)cc1 551996131 OKGYJHQPNVHJPB-LBPRGKRZSA-N 345.373 1.698 0 40 EDAB Cc1nc2ccc(O)cc2cc1C(=O)NC[C@]1(CCO)CCOC1 1548669927 ZFPUIIZHWSXCHK-SFHVURJKSA-N 330.384 1.768 0 40 EDAB CC(=O)N1CCN(Cc2cccc(NC(=O)c3cc[nH]n3)c2)CC1 187161515 IIHFBTZTVJSKQK-UHFFFAOYSA-N 327.388 1.326 0 40 EDAB Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nnn1C 565996878 LRRHZFZFONLPEM-JTQLQIEISA-N 333.779 1.769 0 40 EDAB Cn1nc(CNC(=O)NCc2cccs2)c2ccccc2c1=O 75148959 XRTFDFGXLRQCES-UHFFFAOYSA-N 328.397 1.994 0 40 EDAB Cc1ccccc1C1(O)CCN(CC(=O)NCc2cccnc2)CC1 72795014 ILXWAFKUOIKASX-UHFFFAOYSA-N 339.439 1.990 0 40 EDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccc(N(C)C)c2)C1 78721203 FNKOLOLWLUUXEQ-ZBFHGGJFSA-N 347.459 1.756 0 40 EDAB CN1CCN(Cc2cccc(C(=O)NC[C@H]3CCCC[C@@H]3O)c2)CC1 73932603 FXQGLKLEOKLWPN-MOPGFXCFSA-N 345.487 1.715 0 40 EDAB CN(CCC(=O)N1CCOCC1)C1CCN(c2ccc(F)cc2)CC1 72666825 QPPXTVYXCZOWTK-UHFFFAOYSA-N 349.450 1.975 0 40 EDAB C[C@@]1(CNC(=O)NCC2(OCCO)CCOCC2)CCCS1 225745417 CZUBODPVUSKTQX-AWEZNQCLSA-N 332.466 1.129 0 40 EDAB O=C(Cn1cc(COc2ccc(F)cc2)nn1)Nc1nncs1 227161098 JGXALGLKEABXLZ-UHFFFAOYSA-N 334.336 1.486 0 40 EDAB CN(C)c1cccc(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)c1 225778081 ZKOGAYVLKJLJKV-UHFFFAOYSA-N 348.406 1.959 0 40 EDAB Cc1noc([C@@H](C)NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)n1 64316048 RESLQXKMEWEVLK-MFKMUULPSA-N 346.412 1.771 0 40 EDAB CN1CCN(CCCNC(=O)COc2cccc3ccccc23)CC1 195004517 PMHSEBAAEDEPER-UHFFFAOYSA-N 341.455 1.972 0 40 EDAB CO[C@@H]1CO[C@]2(CCCN(C(=O)c3nn(C)c4ccccc34)C2)C1 96073507 IRLAAGRDIRSDCE-SCLBCKFNSA-N 329.400 1.983 0 40 EDAB Cc1cc(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)c(C)o1 96188644 GDDYXIMZEZIEPZ-AWEZNQCLSA-N 340.387 1.657 0 40 EDAB O=C1CN(C(=O)C2CCOCC2)CCN1Cc1ccc(Cl)cc1 96414154 ZZOTZVMIQGWJSE-UHFFFAOYSA-N 336.819 1.937 0 40 EDAB Cn1cccc1CNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 96116363 AKTIWFOCTYKMBA-HNNXBMFYSA-N 340.383 1.172 0 40 EDAB biogenic CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1cncc(F)c1 330735940 MZUREJUGSFPFTM-SMDDNHRTSA-N 343.424 1.602 0 40 EDAB CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NC[C@@H]1CN(C)CCN1C 96431007 NPRPKGCZBBVCMA-HZMVEIRTSA-N 325.497 1.722 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)NCC2(c3ccccc3F)CC2)cn1 96421600 NZJAHHSZJMGBOU-QGZVFWFLSA-N 346.406 1.798 0 40 EDAB O=C(Cn1ncc2ccccc21)NC1(C(=O)NCC2CC2)CCCC1 96454630 KUSACBBCDRMSEL-UHFFFAOYSA-N 340.427 1.992 0 40 EDAB Cc1ccoc1C(=O)NC[C@H]1Cn2nnc(-c3cccnc3)c2CO1 96199240 ATISJKGJHIKLJJ-ZDUSSCGKSA-N 339.355 1.570 0 40 EDAB Cc1cc(N(C)C(=O)CN(C)S(C)(=O)=O)ccc1Br 96408092 GDPRGASTZBUVTE-UHFFFAOYSA-N 349.250 1.612 0 40 EDAB CCn1nc(C)cc1C(=O)N1C[C@@H]2C[C@@H](Cc3nc(C)no3)O[C@@H]2C1 96219777 TVCMCDPCDKHYQP-KCQAQPDRSA-N 345.403 1.375 0 40 EDAB COc1ccc(S(=O)(=O)N2CC3(C[C@@H](OC)CS3)C2)cc1F 248124729 HEQOTQPOKUJZRU-SNVBAGLBSA-N 347.433 1.729 0 40 EDAB O=C(NCC[C@@H]1CN(C2CCOCC2)Cc2ccnn21)c1ccco1 247509555 SMDZTTGPAULVBS-OAHLLOKOSA-N 344.415 1.832 0 40 EDAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@H]1COC(=O)N1 585080815 UDBWEBFSFGTUAM-SNVBAGLBSA-N 345.277 1.334 0 40 EDAB CO[C@](C)(C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)c1ccccc1F 585086024 VUUGFDZOOVBKNL-DEYYWGMASA-N 336.407 1.355 0 40 EDAB C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)CC(N)=O)[C@@H]1C 585126167 QRHDMTCVBGACIA-UTUOFQBUSA-N 327.425 1.402 0 40 EDAB CC[C@H](NC(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1)[C@H](O)C(C)C 585132159 POWSHMFANOVSDR-RZLSGREXSA-N 329.437 1.599 0 40 EDAB Cc1ccnc([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257228106 FSHLVGDGNYXSEE-MRXNPFEDSA-N 340.431 1.749 0 40 EDAB CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(C)(C)CSC)n1 252478802 AVHJAMJFEGKIAU-UHFFFAOYSA-N 347.506 1.954 0 40 EDAB CN(C)C(=O)[C@@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2)CCN1C 257288337 PTUOMKBDNPICIM-HNNXBMFYSA-N 335.423 1.334 0 40 EDAB CS(=O)(=O)N1CCC[C@@]12CCN(Cc1ccccc1F)C[C@@H]2O 257295058 QWUVRAPEPCEWGZ-HOTGVXAUSA-N 342.436 1.187 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@H](c2cc(O)nc(C)n2)C1 257213679 CIQCRAIHKSMXEW-NSHDSACASA-N 335.389 1.118 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CCn2nc3c(c2C1)CCC3 253471929 GQUZMJUUSULXKV-UHFFFAOYSA-N 334.383 1.609 0 40 EDAB Cc1cc(C)n2ncc(CN3CCC4(CC3)OCCC[C@@H]4O)c2n1 257314549 UXLIWGKHNBDBCZ-INIZCTEOSA-N 330.432 1.852 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)ncn1 257270319 MTRYGMGZUMTLPF-QGZVFWFLSA-N 343.431 1.540 0 40 EDAB CCc1nccn1CC(=O)N1CCO[C@H](CCc2ccncn2)C1 257339528 ZCCOMXLLOBQCRT-OAHLLOKOSA-N 329.404 1.096 0 40 EDAB C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 252586169 NYFNQZMCLCJGAF-WMLDXEAASA-N 346.475 1.485 0 40 EDAB CNCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3nc(C)cs3)n2)C1 257291318 QGLZJACDRCRDTC-GFCCVEGCSA-N 346.460 1.829 0 40 EDAB Cc1cc(-c2ccnn2C)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257251413 JQQXJWPGARHDIX-GFCCVEGCSA-N 335.433 1.325 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)CN1CCCC1 257231274 GFZWQFBJCSULFC-QGZVFWFLSA-N 345.443 1.523 0 40 EDAB NC(=O)CN1CCCC[C@@H]1c1cc(C(F)(F)F)n2ccnc2n1 257286894 PNNJBTRMSTWTAK-SNVBAGLBSA-N 327.310 1.760 0 40 EDAB CC(=O)N1CCN(Cc2ccc(Cl)cc2F)C[C@H](C(N)=O)C1 257329202 XIXSGMJLWAKVFD-LBPRGKRZSA-N 327.787 1.245 0 40 EDAB C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NC[C@H]1Cc2ccccc21 252587566 ZFRIOTJBDWGWOI-GOEBONIOSA-N 331.460 1.813 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)O)CC1 262868641 WGFIQEZLTGFUID-CXAGYDPISA-N 339.436 1.530 0 40 EDAB CC(C)Cn1cnc(S(=O)(=O)N[C@@H](C(=O)O)c2cccs2)c1 547868852 RZLAWENTYLMAOP-GFCCVEGCSA-N 343.430 1.705 0 40 EDAB CNc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1C[C@]1(C)C(C)C 1615585852 GWYMMBNYBPMAAD-IAQYHMDHSA-N 325.434 1.996 0 40 EDAB CCN1CCC(CNC(=O)[C@@]2(N)CCc3c(OC)cccc32)CC1 1615614060 FABZNTAIASCNGN-LJQANCHMSA-N 331.460 1.644 0 40 EDAB CCCCC(=O)N1Cc2ccnn2[C@@H](COCC(=O)N2CCCC2)C1 575405318 YPMJRZOSXYVBPA-MRXNPFEDSA-N 348.447 1.596 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@H](C(=O)N2CCC(F)(F)CC2)C1 575403677 JBXAXQNZNVDUCH-ZDUSSCGKSA-N 340.374 1.680 0 40 EDAB O[C@@]1(COc2ccc(F)c(F)c2)COCCN(C2CCOCC2)C1 585282795 OCLCUQNUVBIJCX-QGZVFWFLSA-N 343.370 1.586 0 40 EDAB O=c1cc2c(nn1CCNS(=O)(=O)Cc1ccccc1)CCCC2 585149971 RXITVANPGHRJOS-UHFFFAOYSA-N 347.440 1.242 0 40 EDAB CO[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@]12C[C@H](c1ccccc1)CO2 585288342 WAUMAKXRRXDJOO-YXJHDRRASA-N 327.384 1.823 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)c1cc2c([nH]c1=O)CCCC2 68089001 FAAULHHNJFVGBP-UHFFFAOYSA-N 328.416 1.577 0 40 EDAB Cc1noc([C@H](C)N2CCN([C@@H](C)C(=O)NCc3ccco3)CC2)n1 69371340 OEIIIONQFVXWDN-STQMWFEESA-N 347.419 1.355 0 40 EDAB O=C(CN1CCC[C@H](c2noc(C3CC3)n2)C1)NC1CCOCC1 72299903 MRKCYBLWRJJGGL-ZDUSSCGKSA-N 334.420 1.422 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCNC(=O)c2ccoc2)n1 44654065 PCAMARXOIGKRBU-GFCCVEGCSA-N 332.404 1.665 0 40 EDAB COc1cccc([C@H](NC(=O)NC[C@@H]2CCOC2)c2nccn2C)c1 48281817 NTOWCCSHCREUOE-BBRMVZONSA-N 344.415 1.854 0 40 EDAB Cc1nc(CNC(=O)NC[C@@H](C)CN2CCOCC2)sc1C 74371137 QXYXQUYWXJEWDM-LLVKDONJSA-N 326.466 1.527 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)cc1F 75143938 NJUGOQADPBGGBY-UHFFFAOYSA-N 343.406 1.953 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N2CCc3ccccc3C2)on1 40528534 JGYSFMJIQWBDKK-UHFFFAOYSA-N 334.397 1.483 0 40 EDAB C[C@H](C(=O)NCc1ccc(OC[C@H]2CCCO2)cc1)n1cncn1 40534234 OSPMULPYTFIOHA-CZUORRHYSA-N 330.388 1.713 0 40 EDAB C[C@@H](CN(C(=O)CCc1nc(-c2ccco2)no1)C1CC1)C(=O)O 95991905 ADAUCONTBCBSOV-JTQLQIEISA-N 333.344 1.974 0 40 EDAB C[C@H]1CCCN([C@H](C)CNS(=O)(=O)c2ccc(C(N)=O)cc2)C1 106072695 KAJHBLPSPKIBQG-QWHCGFSZSA-N 339.461 1.184 0 40 EDAB O=C(NCc1cccs1)NC[C@H]([C@H]1CCOC1)N1CCOCC1 42759548 IDSRTKUWPCESPG-DZGCQCFKSA-N 339.461 1.285 0 40 EDAB O=C(NCc1ccc(CO)c(F)c1)c1cn([C@@H]2CCCNC2)cn1 585655483 PHFLQKUECYWGFX-CQSZACIVSA-N 332.379 1.369 0 40 EDAB Cc1c(Br)ccc(F)c1C(=O)N[C@@H](C)c1nnnn1C 1614415130 VERFXKVSBOLPED-ZETCQYMHSA-N 342.172 1.911 0 40 EDAB O=C(Nc1ccc2c(c1)OCCO2)c1snc2c(O)ncnc12 13564128 QRTYUVLVGGDCTF-UHFFFAOYSA-N 330.325 1.815 0 40 EDAB C[C@H]1Oc2ccc(S(=O)(=O)N[C@H](C)c3ccncc3)cc2NC1=O 19462249 OFUZMSPHWLQYJZ-GHMZBOCLSA-N 347.396 1.841 0 40 EDAB CCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)CCc2cc(OC)no2)n1 19522529 OLTIRZYVZQBJBR-CYBMUJFWSA-N 346.387 1.625 0 40 EDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)Cc1cccc(Cl)c1 517748390 VAQXFIUSZGNWLY-ZWNOBZJWSA-N 347.820 1.639 0 40 EDAB NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1sccc1Cl 571493893 XSSLVUBWEQYSIJ-NRPADANISA-N 334.850 1.676 0 40 EDAB CN(C)c1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)cn1 575603625 LLITXOGOANRKGD-ZIAGYGMSSA-N 337.445 1.337 0 40 EDAB CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2ccc(F)cc2)C1 26957801 XDLYCTQKTNEANH-AWEZNQCLSA-N 330.425 1.461 0 40 EDAB COc1ccccc1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 6584286 UVDFIUAXRQXBRG-UHFFFAOYSA-N 334.397 1.914 0 40 EDAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(-n2cnnn2)cc1 25173512 ZVYNIGJFHDKFIF-CQSZACIVSA-N 337.339 1.232 0 40 EDAB CCS(=O)(=O)N[C@H](CCSC)C(=O)NC1CCC(C)CC1 26370089 KLINKEOXBYBNNH-WXRRBKDZSA-N 336.523 1.742 0 40 EDAB CS(=O)(=O)C[C@@H]1CCCCN1c1ncncc1Br 579435959 YLXUAWIJAOHRHF-VIFPVBQESA-N 334.239 1.643 0 40 EDAB COc1cnc(O[C@H]2CCN(Cc3nnc(C(F)(F)F)o3)C2)nc1 2087130545 XUKBEXSVSYIXOG-QMMMGPOBSA-N 345.281 1.540 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)C1(F)CC1)C2 1565553016 GSNXTAWLLVJYJE-WMLDXEAASA-N 331.391 1.781 0 40 EDAB CCOc1ccc(N2C[C@H](NC(=O)N3CCC(O)CC3)CC2=O)cc1 5191810 LMWUCJNPWULQED-CYBMUJFWSA-N 347.415 1.357 0 40 EDAB COc1ccccc1CCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1 5251033 LYHSVPBPOAGDMG-UHFFFAOYSA-N 341.367 1.092 0 40 EDAB COc1cc(C(=O)N2CC[C@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)on1 2055759314 KZAIGYRWHDAVGX-HOSYDEDBSA-N 333.348 1.102 0 40 EDAB Cc1cc(=O)n(CC(=O)NCc2ccccc2)c(N2CCCC2)n1 49410998 HZUKHWVOCOVLDV-UHFFFAOYSA-N 326.400 1.468 0 40 EDAB CCOC(=O)CCC(=O)N1CCC[C@@H](Oc2nc(C)cc(C)n2)C1 585147277 MJZCTVYVQBNXDA-CQSZACIVSA-N 335.404 1.807 0 40 EDAB CNC(=O)c1cc(NC(=O)NCc2ccnc(OC)c2)ccc1F 50086474 JEFSJIIJYCRVIJ-UHFFFAOYSA-N 332.335 1.911 0 40 EDAB CC(=O)N[C@H](C)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 40039397 ZMRDZCNLHUGSOP-LLVKDONJSA-N 329.356 1.673 0 40 EDAB C[C@@]1(NC(=O)CCC(=O)c2ccc(F)cc2)CCS(=O)(=O)C1 30998101 XVZFWPXDNHPVQY-OAHLLOKOSA-N 327.377 1.482 0 40 EDAB CC(=O)N1CCc2cc(C(=O)NCC(C)(C)N3CCOCC3)ccc21 40475694 VSRYBKIOCCDDFB-UHFFFAOYSA-N 345.443 1.436 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)Nc3cc(C)nn3C)CC2=O)c1 40504842 YVMICOIVHPYBLF-LBPRGKRZSA-N 328.372 1.729 0 40 EDAB CN(C)C(=O)N1CCN(Cn2c(=O)oc3ccc(Cl)cc32)CC1 40520047 ORSZOGUGKBNKLD-UHFFFAOYSA-N 338.795 1.505 0 40 EDAB Cc1ccc(-c2noc([C@H](C)N3CCN(CC(N)=O)CC3)n2)cc1 40511298 HQYNBJJRSMNBAK-ZDUSSCGKSA-N 329.404 1.209 0 40 EDAB CC1(C)COCCN1S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 40556369 ZFCFMZBALZTJNN-UHFFFAOYSA-N 338.429 1.761 0 40 EDAB CN(C(=O)COC(=O)c1nccnc1N)[C@@H]1CCCc2ccccc21 32573764 CXLQKAIDTLMWFA-CQSZACIVSA-N 340.383 1.752 0 40 EDAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)c1 32836783 JELUKHMEECCRJF-HNNXBMFYSA-N 345.399 1.976 0 40 EDAB CN(Cc1ccc(Br)o1)C(=O)c1ccc(=O)n(C)n1 32914754 WPXWTXMWFYATDY-UHFFFAOYSA-N 326.150 1.408 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 53459451 MKLFUOBXDUOLJA-LZWOXQAQSA-N 345.443 1.638 0 40 EDAB O=C(c1ccccc1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 22611749 QISMLKNMDLKKCQ-GOSISDBHSA-N 340.423 1.884 0 40 EDAB CN(CC(=O)N1CCN(c2cnccn2)CC1)Cc1cccs1 42325959 BEEZLRCWPCEMQP-UHFFFAOYSA-N 331.445 1.319 0 40 EDAB Cc1cc2nc(N3CCCN(CC(N)=O)CC3)c3ccccc3n2n1 54389020 NWETWJDHQQVBCJ-UHFFFAOYSA-N 338.415 1.188 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 24472931 GVUYBOUSVKRSLT-UHFFFAOYSA-N 337.383 1.297 0 40 EDAB C[C@@H]1CN([C@H](C)CNC(=O)NCc2cccc3c2OCO3)C[C@@H](C)O1 106132970 BNRRBHIMPYRLNO-MGPQQGTHSA-N 349.431 1.712 0 40 EDAB COc1ccc(/C=C2/SC(=O)N(CCn3cnnn3)C2=O)cc1 3213271 SDGLVOJWCMQNHK-XYOKQWHBSA-N 331.357 1.418 0 40 EDAB COc1cccc(OCc2nnc(SCC(=O)N(C)C)n2C)c1 904895 YITKXIOAXJBEAG-UHFFFAOYSA-N 336.417 1.583 0 40 EDAB CC(C)c1nc([C@@H]2CCCN2C(=O)C[C@H]2CCS(=O)(=O)C2)no1 78881272 CTKSRVNIFHLZPS-NEPJUHHUSA-N 341.433 1.681 0 40 EDAB CCc1nnc(CN2C[C@@H](N3CCCN(C(C)=O)CC3)[C@H](C)C2)o1 78896260 UOQOCRWLULVYNP-UKRRQHHQSA-N 335.452 1.007 0 40 EDAB CCS(=O)(=O)NCCN(C)[C@@H]1CCCN(c2ccccc2)C1 79014124 SVJHDSZWDJDMNQ-MRXNPFEDSA-N 325.478 1.527 0 40 EDAB COCCNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 79075562 CHJOMOGBYHMDPU-RYUDHWBXSA-N 345.440 1.693 0 40 EDAB FC(F)(F)c1nnc2ccc(NCCc3nnc4ccccn34)nn12 24990776 UBDPTJQDKMLABR-UHFFFAOYSA-N 348.292 1.840 0 40 EDAB COc1ccccc1C(=O)Nc1ccc(-n2cnnn2)c(OC)c1 79478979 JHSAWWCKJFCWNL-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2)cc1 3021162 RMKGBJHRBOBCKZ-UHFFFAOYSA-N 332.425 1.980 0 40 EDAB CCNC(=O)N[C@H]1CN([C@H](C)C(=O)Nc2ccccc2)C[C@@H]1OC 106798083 XCDSIFBZOCXEHU-SNPRPXQTSA-N 334.420 1.032 0 40 EDAB CN(C)c1ccc(CCCNC(=O)[C@@H]2CCCN(C(N)=O)C2)cc1 25140668 XFBYWQWMEMJPJT-OAHLLOKOSA-N 332.448 1.592 0 40 EDAB CCN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3nc(C4CC4)no3)C2)C1=O 95961670 PLVBSEWDUSBXSW-SJCJKPOMSA-N 347.419 1.489 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccc(C(N)=O)c1 25334002 DHGGZILUKVXAOL-ZBEGNZNMSA-N 326.352 1.630 0 40 EDAB CC(C)(C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 56279028 RBNWGWAXVOXCIS-UHFFFAOYSA-N 344.864 1.721 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCc2cc(F)cc(Br)c2)C1 56483734 ISCIWSJZKQFYCZ-VIFPVBQESA-N 344.184 1.605 0 40 EDAB CCc1nn2c(=O)cc(COC(=O)c3cnc(C)cn3)nc2s1 6588437 IWVHWMUEGFTQEW-UHFFFAOYSA-N 331.357 1.169 0 40 EDAB O=C(c1cscn1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005326 SWMYWFVGOVFBNS-LBPRGKRZSA-N 343.474 1.610 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H](C)Cn1cncn1 96009907 SIYWVWKNWXPGJK-LLVKDONJSA-N 340.453 1.114 0 40 EDAB CCC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(c2ccccn2)CC1 95940494 GJSHKGQFUQJZDG-MRXNPFEDSA-N 344.459 1.911 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2Cl)CC1 57383397 GBKLMUXKAJEMBT-LBPRGKRZSA-N 338.839 1.696 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)c1 44377062 MOJIJHRUTKJFJP-ZDUSSCGKSA-N 328.372 1.061 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)NC2CCCCC2)cc1 8158146 KLYNLYLEGJAYBT-UHFFFAOYSA-N 326.418 1.422 0 40 EDAB Cc1ccoc1C(=O)NC1CCN(CC(=O)NCc2ccco2)CC1 58194052 FQILDSGYYVKEGL-UHFFFAOYSA-N 345.399 1.692 0 40 EDAB Cc1cc(C(=O)NC2CCN(C(=O)Nc3cc(C)nn3C)CC2)on1 58157429 QCKUVZSSALNPJJ-UHFFFAOYSA-N 346.391 1.451 0 40 EDAB Cc1nnccc1C(=O)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C 97229585 ICLIIZBYJUTECK-SNVBAGLBSA-N 342.363 1.470 0 40 EDAB COc1ccc2c(C)c(CCC(=O)NCCC(=O)O)c(=O)oc2c1C 2107752 XFDHVUOUAMOFKP-UHFFFAOYSA-N 347.367 1.942 0 40 EDAB biogenic Cc1cc([C@@H](C)NC(=O)Cn2cnc3c(cnn3C)c2=O)c(C)o1 58291943 CVYCKCQMSUGBJN-SNVBAGLBSA-N 329.360 1.217 0 40 EDAB C[C@@H](CNS(=O)(=O)c1cccc(F)c1F)CN1CCCC1=O 58296058 BOKWUJTVWPOXPC-JTQLQIEISA-N 332.372 1.502 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3nnnn3C3CC3)CC2)c(C)o1 44976223 XJMSFPNGJAAHNA-UHFFFAOYSA-N 330.392 1.176 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(S(C)(=O)=O)cc2)n1 44953354 IKOUCKVGGUNGBL-LBPRGKRZSA-N 349.456 1.970 0 40 EDAB CN(C)c1cc(CNC(=O)N2CCN(c3ccncc3)CC2)ccn1 44915991 JBTJQQYREUXZQB-UHFFFAOYSA-N 340.431 1.574 0 40 EDAB CN(C)c1cccc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c1 58306711 ZVPTZBOOAKCXRG-UHFFFAOYSA-N 339.461 1.249 0 40 EDAB CC(=O)Nc1ccc(N[C@H](C)C(=O)N2CCOCC2)cc1Cl 10943423 BKCZPYSRQIFFCG-SNVBAGLBSA-N 325.796 1.958 0 40 EDAB COc1cccc(CN2CCC(NC(=O)Cn3cc(C)cn3)CC2)c1 58998991 YXCVDTQVNOTLJC-UHFFFAOYSA-N 342.443 1.981 0 40 EDAB Cc1ccccc1N1CCN(C(=O)N[C@H]2CCCCNC2=O)CC1 45669770 LUUBEVZWJYVVIW-HNNXBMFYSA-N 330.432 1.495 0 40 EDAB CCCc1noc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)n1 29223946 ZCNWDXNSHLWRCF-QGZVFWFLSA-N 326.356 1.916 0 40 EDAB C[C@H]1C[C@@H](OC[C@H](O)CN2CCN(CCO)CC2)CC(C)(C)C1 22588981 QNIXPBLAMUCLDU-GVDBMIGSSA-N 328.497 1.189 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2csc(Br)c2)CC1 37498928 UIYYKUMNRFLGJU-UHFFFAOYSA-N 346.250 1.190 0 40 EDAB O=C(Cn1cc(C(=O)O)ccc1=O)NCc1ccc(F)c(Cl)c1 95471814 DDABFGMWFBVDKA-UHFFFAOYSA-N 338.722 1.655 0 40 EDAB Cc1cccc(OCCCC(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 21473661 NELHCAWSANTCRV-UHFFFAOYSA-N 345.399 1.355 0 40 EDAB Cc1cccn2cc(CN3CCN(CC(=O)NC4CC4)CC3)nc12 48344126 NLXWQYXGIHCXAV-UHFFFAOYSA-N 327.432 1.039 0 40 EDAB O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCc2ccccc2C1 12816782 DJQHSXBMLWOUCM-UHFFFAOYSA-N 343.408 1.069 0 40 EDAB CC(=O)c1ccccc1OCCNC(=O)C(=O)NCc1ccccc1 13005612 NHVLKNSLQLZLRP-UHFFFAOYSA-N 340.379 1.701 0 40 EDAB O=C(CN1CCCC1=O)NCCc1ccc(F)c(Br)c1 48809687 DRJBWWRCKCJWKH-UHFFFAOYSA-N 343.196 1.869 0 40 EDAB Cc1nc(-c2cccnc2)nc(N2CCC(NC(N)=O)CC2)c1C 95409059 PIOZALZJYJXBRW-UHFFFAOYSA-N 326.404 1.793 0 40 EDAB O=C(c1ccc2nnnn2c1)N1CCC[C@H](N2CCCCCC2)C1 95411728 OYRNBCZLQKFWNL-HNNXBMFYSA-N 328.420 1.605 0 40 EDAB COC(=O)C1(NC(=O)CNc2ccc(C(N)=O)c(C)c2)CCCCC1 95460373 FUUGTNBERIGBMY-UHFFFAOYSA-N 347.415 1.498 0 40 EDAB NC(=O)C1CCN(c2ccc(NC(=O)c3cnsn3)cc2)CC1 63991036 UYJMOTABVOVNRY-UHFFFAOYSA-N 331.401 1.492 0 40 EDAB CS(=O)(=O)Nc1cccc(C(=O)NCCOc2ccccc2)c1 68920202 QUDHJMHVFSMAOQ-UHFFFAOYSA-N 334.397 1.867 0 40 EDAB COCCn1nc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1=O 9449444 BZSYHDDCJHIXDZ-UHFFFAOYSA-N 345.443 1.836 0 40 EDAB CCCc1ccc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 6033728 VWTQRDMOCUVZNS-UHFFFAOYSA-N 340.383 1.269 0 40 EDAB COC(=O)C1CCN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)CC1 5036224 KVJZTDUDDKXJFO-UHFFFAOYSA-N 343.387 1.060 0 40 EDAB C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2=NN(C)C(=O)CC2)C1 65140731 IEGNNORQJAHHQV-DZGCQCFKSA-N 328.416 1.546 0 40 EDAB CCOC1CCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 96418665 KNIOGAOSNJJMFR-UHFFFAOYSA-N 332.448 1.231 0 40 EDAB Cc1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)ncc1Br 94063840 CADBAEMFCHGVCP-QMMMGPOBSA-N 333.207 1.526 0 40 EDAB Cn1cc(C2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cn1 65542384 DBYAFBMMYUIXTR-UHFFFAOYSA-N 348.472 1.578 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)ccc1=O 71894208 JPIHLVCIQTVFGV-CYBMUJFWSA-N 345.786 1.574 0 40 EDAB CN1CCN(C(=O)[C@H]2CCCN2c2cnc3ccccc3n2)CC1 71826812 IMSZESCMLQXJOO-MRXNPFEDSA-N 325.416 1.373 0 40 EDAB COCC(=O)N1CCC(Nc2cncc(Br)c2)CC1 83897778 YNAMDLDIXLAWLS-UHFFFAOYSA-N 328.210 1.893 0 40 EDAB C[C@@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)N1CCCC[C@H]1C 71904027 LGUGTCZTRJEHJL-CHWSQXEVSA-N 344.477 1.250 0 40 EDAB Cc1cc(C)n(-c2nnc(SCC(=O)Nc3ccccc3)n2N)n1 7530210 GXVATFBKEXFMCN-UHFFFAOYSA-N 343.416 1.525 0 40 EDAB CN(Cn1ncn(C)c1=S)[C@@H]1CCN(c2ccccc2F)C1=O 71900374 AQVJTGPUJKQFKW-CYBMUJFWSA-N 335.408 1.785 0 40 EDAB C[C@@H](CNC(=O)c1c[nH]c2ccccc2c1=O)N1CCOC[C@H]1C 71900322 ZYHRAVQFFYUVSM-QWHCGFSZSA-N 329.400 1.367 0 40 EDAB COC(=O)CCNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 8192736 APESNSCZTZFUPG-UHFFFAOYSA-N 333.388 1.610 0 40 EDAB Cc1ccc(O)c(C(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)c1 70040106 FIYPMZJDDLBWKC-INIZCTEOSA-N 331.460 1.943 0 40 EDAB CN(CCNC(=O)N1CCN(c2ccccn2)CC1)C1CCCC1 72274071 CWVGMHZBSKXNBJ-UHFFFAOYSA-N 331.464 1.788 0 40 EDAB Nc1nc(Oc2ccc(I)cc2)cc(=O)[nH]1 17241480 LCGKFVPTKAZHDY-UHFFFAOYSA-N 329.097 1.749 0 40 EDAB Cc1cnn(CCNCC(=O)Nc2ccnn2Cc2cccs2)c1 69772448 GPWFSWMJWIPPHB-UHFFFAOYSA-N 344.444 1.726 0 40 EDAB CC(C)(C)C1CCC(O)(CNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 69738676 XBTZPZXWBYXAMO-FUJMWEONSA-N 331.478 1.505 0 40 EDAB CC(C)CN(CC(F)(F)F)C(=O)CN(C)C(=O)[C@H](C)n1cccn1 69737803 SAMJOLXOPKKLPX-LBPRGKRZSA-N 348.369 1.949 0 40 EDAB COc1ccccc1CNC(=O)CN1C(=O)CC2(CCCC2)C1=O 8750196 KIYYKQLLWDBSAU-UHFFFAOYSA-N 330.384 1.631 0 40 EDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H]1CCCO1)C2=O 8775568 SQOIFBXQXQKSPO-JZLYGMAVSA-N 337.420 1.172 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1CCN1S(=O)(=O)c1ccccc1 97134255 MCHYLIKFCWHKED-HNNXBMFYSA-N 331.397 1.161 0 40 EDAB Cc1n[nH]c([C@H]2CN(Cc3noc(Cc4ccccc4)n3)CCO2)n1 72300106 RSCAYAOLWHWAKZ-CQSZACIVSA-N 340.387 1.660 0 40 EDAB C[C@@H](CNC(=O)N1CCCN(CC(F)F)CC1)N1CCOC[C@@H]1C 95980800 LVCUAVXPFXCWJM-KBPBESRZSA-N 348.438 1.078 0 40 EDAB Cn1ccnc(N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1=O 92964101 LNMXNXJOPCRGEJ-LLVKDONJSA-N 340.305 1.852 0 40 EDAB CCc1cc(CNC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)[nH]n1 72302889 MYMYTJFEKSBQGB-LLVKDONJSA-N 325.376 1.503 0 40 EDAB CC(C)C[C@@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)C 24975650 PAXLGJVGUAKOBI-ZDUSSCGKSA-N 342.465 1.432 0 40 EDAB COC(=O)[C@@H](CO)NC(=O)c1csc(-c2ccc(OC)cc2)n1 9908710 JAONXLPKKVVENO-LLVKDONJSA-N 336.369 1.082 0 40 EDAB CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 75092537 CSKMTXBFOCQGAO-NSHDSACASA-N 332.404 1.881 0 40 EDAB O=C(NCCc1n[nH]c(=O)[nH]1)c1cc(C2CC2)nc2ccc(F)cc12 75104347 XKRPEEDLYDUPDH-UHFFFAOYSA-N 341.346 1.635 0 40 EDAB O=c1c2sccc2ncn1CCSc1ncnc2nc[nH]c12 76065347 NONARZQSTROVEQ-UHFFFAOYSA-N 330.398 1.917 0 40 EDAB O=C(C[C@@H](C(=O)O)N1CCNCC1)Nc1ccc2ccccc2c1 22593093 ZICJSTVLGAEMDD-INIZCTEOSA-N 327.384 1.527 0 40 EDAB CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@@H]1C2 306126102 DNACZGGXNRWKSQ-KBPBESRZSA-N 343.406 1.471 0 40 EDAB CC1(C)Cc2cccc(OCC(=O)NCCn3cccnc3=O)c2O1 675008143 DQRFKAXYPCTIMJ-UHFFFAOYSA-N 343.383 1.152 0 40 EDAB CC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 65552585 HDVLUCOMUPMUFM-GFCCVEGCSA-N 345.321 1.723 0 40 EDAB COc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CN(C)C)C2)cc1 306142431 WZGFRZIDFYPBQU-AWEZNQCLSA-N 328.416 1.726 0 40 EDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 30322662 RHXZCCUWVQIHAB-UHFFFAOYSA-N 348.852 1.838 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CCO1 183986630 GWOSFDBZSPMXFM-IAGOWNOFSA-N 345.443 1.015 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 30870588 HPOCXIHESXBKDR-NSHDSACASA-N 334.397 1.305 0 40 EDAB CN1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3cc(F)ccc23)CC1 36354398 LRAKTYUMEXGUKW-MRXNPFEDSA-N 349.362 1.238 0 40 EDAB CN1CCN(C[C@@H](CC(=O)Nc2ccc3cc[nH]c3c2)C(=O)O)CC1 72402783 KVGCGRGHVUUYBC-CQSZACIVSA-N 344.415 1.445 0 40 EDAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2ccc3cc[nH]c3c2)n1 32088960 SXNIIBAJJSITDR-UHFFFAOYSA-N 325.372 1.736 0 40 EDAB CC(C)[C@H](N)C(=O)N1CC[C@H](N(C(=O)OC(C)(C)C)C2CC2)C1 79427474 ZKEHJKUFKTYOLP-KBPBESRZSA-N 325.453 1.970 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(c3ncccn3)CCN2C(C)=O)c1 72367613 ZOHALOFHYGWHBB-INIZCTEOSA-N 339.399 1.246 0 40 EDAB COC[C@@H](O)CN1CCN(CCOc2cccc3ccccc23)CC1 72404675 LZGGJPHEYVODDE-SFHVURJKSA-N 344.455 1.844 0 40 EDAB Cc1n[nH]c2c1[C@H](c1cccc(O)c1)c1c(n(C)c(=O)n(C)c1=O)N2 72405408 HLXIQYZKOAGGPV-LBPRGKRZSA-N 339.355 1.058 0 40 EDAB CCn1cc(S(=O)(=O)Nc2ccc(OCCOC)nc2)cn1 78556750 GAGZPUXHUYFEKW-UHFFFAOYSA-N 326.378 1.124 0 40 EDAB CN(C)C1(CNC(=O)c2cccc3nn[nH]c23)Cc2ccccc2C1 526116799 XVEVSKJPKWPVKJ-UHFFFAOYSA-N 335.411 1.787 0 40 EDAB CC(=O)Nc1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)cs1 72368317 CQRFPOOOAQGGBZ-LLVKDONJSA-N 331.401 1.911 0 40 EDAB C[C@@H](C(=O)NCCc1cscn1)n1nnc(-c2ccccc2)n1 80122662 WDLBCVMFJPCMNT-NSHDSACASA-N 328.401 1.717 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 195315150 BXEFSZMVFKHAPW-GFCCVEGCSA-N 339.335 1.691 0 40 EDAB CCOC(=O)c1n[nH]c(CN2CCN(C(=O)OC(C)(C)C)CC2)n1 85385790 XKPNROOHELSKHT-UHFFFAOYSA-N 339.396 1.034 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)Nc3ccn(C)n3)CC2=O)cc1 69559261 OTBIVUGDWYGSNV-CYBMUJFWSA-N 328.372 1.416 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)c(F)cc1F 84656914 BDRZLYMOELHKSR-CQSZACIVSA-N 340.351 1.778 0 40 EDAB COC[C@@H](O)CNC(=O)N[C@@H](C)Cc1cccc(Br)c1 225783613 NEUGJYMKGPUVAQ-GWCFXTLKSA-N 345.237 1.687 0 40 EDAB Cc1nnc2n1CCN(CC(=O)NCC1(c3ccccc3)CCC1)C2 69460122 LVLFMLIHMJFKDY-UHFFFAOYSA-N 339.443 1.640 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 69458468 QMOFHIXMYYTSTP-GJZGRUSLSA-N 329.400 1.716 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)N[C@@H]1CCCc2ccccc21 69740461 OSROEISDLLEKRQ-GDBMZVCRSA-N 325.416 1.376 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(OC(F)F)cc1 225633359 NYHRDAWQJHASMR-NOOOWODRSA-N 325.267 1.881 0 40 EDAB O=C(NCCn1ccnc1)NC[C@@H]1CCN(Cc2ccccc2)C1 193930421 DZDPKJGTCOTLEI-KRWDZBQOSA-N 327.432 1.704 0 40 EDAB CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(Cc1ccccc1)C2 514289247 KEDLPAINEUOVJI-RBUKOAKNSA-N 329.488 1.648 0 40 EDAB biogenic,in-vitro CN1CCN(C[C@H]2CCC[C@]3(CCN(Cc4cnn(C)c4)C3)O2)CC1 96207099 ZFQXXKBIOPLNIV-RTBURBONSA-N 347.507 1.181 0 40 EDAB O=C(NCc1cn2c(n1)CN(Cc1ccncc1)CC2)C1CCC1 96059471 KDFYTPGJBOHFAS-UHFFFAOYSA-N 325.416 1.710 0 40 EDAB O=C1CCCN1C[C@H]1CN(c2ncc(F)cn2)Cc2nccn2C1 96188434 XTRWYPWBPYKZHL-LBPRGKRZSA-N 330.367 1.071 0 40 EDAB COc1ccc2c(n1)N(S(=O)(=O)c1cccc3c1OCC3)CC2 580945198 HWBAYTSUWGAYDZ-UHFFFAOYSA-N 332.381 1.777 0 40 EDAB COC(=O)C1(CS(=O)(=O)N[C@H](C)Cc2c(C)noc2C)CC1 583651080 FAHKVFZKOBVISC-SECBINFHSA-N 330.406 1.095 0 40 EDAB CCc1nnc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)o1 583620171 LVYSWLIWBTWGHE-SUMWQHHRSA-N 332.452 1.880 0 40 EDAB O=C(CSc1nnnn1-c1cccc(F)c1)NCc1ccccn1 96404037 IOJANCSJDNYRNC-UHFFFAOYSA-N 344.375 1.605 0 40 EDAB Cn1cc(N2CC[C@@]3(CCN(C(=O)c4ccsc4)C3)C2=O)cn1 96050538 DKZVDFPCXMPLAX-MRXNPFEDSA-N 330.413 1.751 0 40 EDAB CCS(=O)(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 96055503 JEHYEJUERFNPEL-MELADBBJSA-N 326.418 1.290 0 40 EDAB COc1ncccc1CN1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 96225520 UHAFSGGDIWYPRN-GOSISDBHSA-N 346.431 1.678 0 40 EDAB COCCNC(=O)[C@@H]1C[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O1 96042920 ZATJDQJNOSFVDU-AEGPPILISA-N 339.461 1.194 0 40 EDAB Cn1cccc1C(=O)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 96072481 WTTGWXDCWGTMIO-MAUKXSAKSA-N 327.384 1.873 0 40 EDAB COc1ccc(CN2C[C@H](N3CCN(C)CC3)[C@@H]3OCCC[C@@H]32)cc1 96185819 FAXYFDLZGNFNIF-SLFFLAALSA-N 345.487 1.674 0 40 EDAB CS(=O)(=O)c1ccc(CNc2cc(-n3cccn3)nc(N)n2)cc1 92890739 RTXRPRGXNWSMSB-UHFFFAOYSA-N 344.400 1.260 0 40 EDAB Cc1ccc(N2CC[C@H](N(C)C[C@H]3CCS(=O)(=O)C3)C2=O)cc1 245338684 NUZDACGLWWKXRV-ZBFHGGJFSA-N 336.457 1.467 0 40 EDAB COCC(=O)NC[C@H]1CN(Cc2ccccc2F)Cc2cncn21 247847705 QBXWVQSPQGNWQP-HNNXBMFYSA-N 332.379 1.342 0 40 EDAB O=C(NCCn1cnccc1=O)Nc1cccnc1N1CCCC1 585138561 BAAOZNBRLXLPDG-UHFFFAOYSA-N 328.376 1.060 0 40 EDAB Cc1cc(CN2CC3(C[C@H](OCC(=O)N4CCCC4)CCO3)C2)no1 247942223 UXYICXHGQHLRNR-MRXNPFEDSA-N 349.431 1.355 0 40 EDAB Cc1cc(Br)ccc1S(=O)(=O)N[C@H]1CCC[C@H]1O 185011300 SRAHBFFSSOZVCO-WDEREUQCSA-N 334.235 1.949 0 40 EDAB C[C@@H](NC(=O)Nc1ccc(-n2cccn2)nc1)C(=O)NC(C)(C)C 69893686 RXWGKSYSDSFLAR-LLVKDONJSA-N 330.392 1.692 0 40 EDAB COc1ccccc1CC(=O)N1CCO[C@H](CCc2ccncn2)C1 257221593 DPTNTZPUOTWZJU-QGZVFWFLSA-N 341.411 1.888 0 40 EDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)n1cc(COc2ccccc2)nn1 257173553 QQFPBKLNGNZZKD-BBRMVZONSA-N 330.388 1.713 0 40 EDAB O=C(c1cccnc1)N1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 257321364 WBJBLLSQMVDIGU-IAGOWNOFSA-N 337.379 1.334 0 40 EDAB O=C(CCn1cnc2ccccc21)N1C[C@@H](O)[C@H](N2CCCC2)C1 257279836 OIJRWJMBFBXDDR-IAGOWNOFSA-N 328.416 1.094 0 40 EDAB Cc1cc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2ccccn2)on1 253600684 WBWXRBREYSIXDI-CQSZACIVSA-N 343.383 1.826 0 40 EDAB CCOC[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cncn21 253383382 LJJGAPREZHTPQA-OAHLLOKOSA-N 343.383 1.774 0 40 EDAB O=C(c1ccncc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257228550 FUGMFEDEKBVYLK-HNNXBMFYSA-N 325.359 1.390 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc(-n3cccn3)c(F)c2)C[C@@H](C)O1 69971975 WVLHFCMMDWQHBK-VXGBXAGGSA-N 339.392 1.809 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)C(C)(C)n2cncn2)C1 257214933 CNZNMMBBONIKCM-ZDUSSCGKSA-N 343.435 1.326 0 40 EDAB CCc1nc(C)c(CN2CCC3(CC2)CN(C(C)=O)[C@@](C)(CO)C3)[nH]1 257259211 KXIVCEMCFBRKQQ-GOSISDBHSA-N 348.491 1.866 0 40 EDAB Cc1ccc(Cl)c(OCC(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)c1 257325538 WTJKRTLWMJFAMC-XJKCOSOUSA-N 327.808 1.760 0 40 EDAB COc1ccccc1CC(=O)N1CCO[C@@H](CCc2ccncn2)C1 257221592 DPTNTZPUOTWZJU-KRWDZBQOSA-N 341.411 1.888 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)CCc1ccnn1C 257322142 WETBPSYWKVVAJH-MRXNPFEDSA-N 343.431 1.311 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2c(C)c(C)n[nH]c2=O)n1 70010457 FANDJVOEPLYIFU-AWEZNQCLSA-N 329.404 1.505 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCO[C@H](CCc3ccncn3)C2)s1 257309843 UCPPQRUOKRPOSE-OAHLLOKOSA-N 346.456 1.953 0 40 EDAB Cc1ncccc1C(=O)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257211078 BXKUNSXFUGXLON-ZDUSSCGKSA-N 328.372 1.217 0 40 EDAB C[C@@](CNC(=O)[C@H]1COc2ccccc2O1)(C(=O)O)c1ccccc1 263340170 XFOPPPHWRIUUSZ-APWZRJJASA-N 341.363 1.985 0 40 EDAB CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1(C)C 272016639 WVMUZELDWCOECP-WKPIXPDZSA-N 340.445 1.983 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)CCc2ccccc2C(=O)O)c1 1610646578 BJIGUOOCGBGPKQ-UHFFFAOYSA-N 348.380 1.604 0 40 EDAB CCc1cc2c(N3CCN4CCOC[C@]4(CO)C3)nc(C)nc2s1 1615613560 ZDEYOMHZGGFNPY-QGZVFWFLSA-N 348.472 1.445 0 40 EDAB COCCCN(C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(C)c1 1616034924 WNMMEWAWPZRVPN-UHFFFAOYSA-N 343.449 1.746 0 40 EDAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ccc(O)nc1 390831902 VVSIKOGMVFQGSO-SECBINFHSA-N 341.293 1.433 0 40 EDAB Cc1cc(C)cc(OCCNS(=O)(=O)c2cc(C(=O)O)co2)c1 584170729 GZBXHZWMGBSYEB-UHFFFAOYSA-N 339.369 1.952 0 40 EDAB O=C(NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O)c1ccnnc1 585283581 CBGSPRBIIKHMGE-KBRIMQKVSA-N 327.384 1.815 0 40 EDAB Cc1cccc(S(=O)(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)c1 585098404 XPLMUVGLPISQNP-INIZCTEOSA-N 348.472 1.716 0 40 EDAB C[C@@H](CNC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccsc1 84774655 STDZWJDFPNOOGU-JTQLQIEISA-N 342.442 1.924 0 40 EDAB Cn1ncnc1CNS(=O)(=O)c1ccccc1Br 95962215 ZEDPXTYKWAMSBZ-UHFFFAOYSA-N 331.195 1.056 0 40 EDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccnc(O[C@@H]2CCOC2)c1 184922150 UJFDEARCZXZTJU-GFCCVEGCSA-N 340.339 1.671 0 40 EDAB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OC 8110600 JUEZNUNJNNKYBK-YHYXMXQVSA-N 333.731 1.462 0 40 EDAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2ccco2)c1C 5080229 QNUBSRFHGJNBEA-UHFFFAOYSA-N 330.340 1.808 0 40 EDAB O=C(CN1CCC(O)(c2ccccn2)CC1)NCc1cccs1 12114424 ARWDITDKUXQDKT-UHFFFAOYSA-N 331.441 1.743 0 40 EDAB CC[C@@H](CN1CCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 12362718 DODKBERVVRFSQB-ZDUSSCGKSA-N 328.416 1.456 0 40 EDAB CC(=O)Nc1nc(COC(=O)c2ccc(-n3cnnn3)cc2)cs1 14070511 KUAYAGJHJXHQNX-UHFFFAOYSA-N 344.356 1.434 0 40 EDAB CCN(CC)C(=O)CN1CCC2(CC1)NC(=O)c1ccccc1N2 19526222 YJIZWFVATJYBLZ-UHFFFAOYSA-N 330.432 1.502 0 40 EDAB O=C(NC1CCCC1)[C@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 19747847 TYZYSJXHBNYTHW-MRXNPFEDSA-N 328.416 1.823 0 40 EDAB COCCN1CCC(c2ncc(C(=O)N3CCOCC3)c(C)n2)CC1 19752921 NAAVCJJRERGAHB-UHFFFAOYSA-N 348.447 1.083 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCS[C@H](c2ccco2)CC1 219458100 HLCHEBJRLYMOSQ-ZDUSSCGKSA-N 332.447 1.337 0 40 EDAB COc1cccc2[nH]c(C(=O)NC[C@@H]3COC[C@@H](OC)[C@H]3OC)cc12 643585466 NFPQQWYAQMOILA-LQAWEQHXSA-N 348.399 1.583 0 40 EDAB O=S(=O)(CCC(F)(F)F)N1CC[C@@H](Oc2ncc(F)cn2)C1 390829513 ZMCMWSQYQOCBFP-SECBINFHSA-N 343.302 1.351 0 40 EDAB C[C@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)NC(N)=O 5936493 YUOWWUIGRFVJJP-VIFPVBQESA-N 330.340 1.591 0 40 EDAB COCCNC(=O)CNc1ncnc2sc3c(c12)CC[C@H](C)C3 9885352 BCVYMEHXOUXBNA-JTQLQIEISA-N 334.445 1.991 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)c2csc3c2CCCC3)n1 10534046 OXJRYDCNWKTTAY-UHFFFAOYSA-N 333.417 1.817 0 40 EDAB c1cnc(N2CCOCC2)c(CN2CC[C@@H](c3cnccn3)C2)c1 1888842790 BTHJFCLLAOTGAB-OAHLLOKOSA-N 325.416 1.698 0 40 EDAB Cc1cnc(C(=O)N2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)cn1 2037984891 QSBCHZRPPPUEPX-SFHVURJKSA-N 346.431 1.417 0 40 EDAB COc1ccccc1C(=O)N1CCO[C@]2(CCCCN(C)C2=O)C1 2037985786 WFGOYLICYGNTNV-GOSISDBHSA-N 332.400 1.549 0 40 EDAB O=C(N1CCOC[C@]2(C[C@@H](Cn3ccnc3)CO2)C1)C1(F)CCC1 1565547073 KALPUBDCDMNMCY-HOCLYGCPSA-N 337.395 1.409 0 40 EDAB Cc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)c4csnn4)C[C@@H]32)o1 1565549069 OVVCKKGMXPCGAI-CKYFFXLPSA-N 335.389 1.264 0 40 EDAB O=C(N[C@@]1(C(F)(F)F)N=C2SCCN2C1=O)c1cccs1 2487753 UCXJIFAATPSRCR-SNVBAGLBSA-N 335.332 1.682 0 40 EDAB CCSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 4119782 XNHPNRXGGRTZEX-UHFFFAOYSA-N 341.458 1.502 0 40 EDAB CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1cccnc1 4304073 GIPAMCDCMMZCEC-LBPRGKRZSA-N 327.340 1.336 0 40 EDAB O=C(NCc1ccco1)C(=O)Nc1cccc(N2CCCC2=O)c1 10220968 TXISWNSHXFERTP-UHFFFAOYSA-N 327.340 1.661 0 40 EDAB Cc1ncoc1C(=O)N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055745585 LWGHKKOIEGZKBE-NSHDSACASA-N 344.371 1.494 0 40 EDAB CN(C)S(=O)(=O)N1CCC(CNc2nc3ccccc3o2)CC1 1775970739 QFGYHUAXXWPTIP-UHFFFAOYSA-N 338.433 1.758 0 40 EDAB O=C(COc1ccc(Cl)cc1)N1CC[C@@H](N2C(=O)COC2=O)C1 225699871 QENYMCFDVUKQKF-LLVKDONJSA-N 338.747 1.299 0 40 EDAB Cc1cc(N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)ncn1 585415951 VAOOROUJMRBCGZ-KBPBESRZSA-N 336.403 1.104 0 40 EDAB COc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 17949706 DHLPRWUWXNNMRZ-PRRDBKRISA-N 340.379 1.831 0 40 EDAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 30377603 MCTXGMOYKDYSSS-RISCZKNCSA-N 344.415 1.283 0 40 EDAB Cc1csc(=O)n1CCC(=O)N1CCN(Cc2cccnc2)CC1 40481039 HGJRIUOFKAFPFP-UHFFFAOYSA-N 346.456 1.348 0 40 EDAB COc1ccccc1CC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 40542815 YNLPBTXNBWWQQG-CYBMUJFWSA-N 340.445 1.026 0 40 EDAB COc1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1OC 40553729 SRGZQVHLHDGBGF-CQSZACIVSA-N 342.399 1.893 0 40 EDAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)Nc3nc(C4CC4)cs3)nc21 31917934 DLLSMXZMYMZTKM-UHFFFAOYSA-N 343.368 1.208 0 40 EDAB CC(C)[C@@H](NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)O 101123240 KNTVOOKRMLJSKO-SLEUVZQESA-N 333.388 1.086 0 40 EDAB O=C(NCCc1ccccn1)[C@H]1CCCN(C(=O)N2CCCC2)C1 41687943 BJTBSWSRCFMICU-HNNXBMFYSA-N 330.432 1.668 0 40 EDAB Cc1nc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n[nH]1 103256294 UDNWCEZTNVKABL-GFCCVEGCSA-N 349.416 1.153 0 40 EDAB COc1ccccc1Nc1ncccc1C(=O)N1CC[C@H](C(N)=O)C1 53892921 UHFOEVLWMHDPLP-LBPRGKRZSA-N 340.383 1.781 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1cc(-c2cccc(F)c2)no1 54151245 LUVOHXAFPBIRKP-UHFFFAOYSA-N 327.319 1.948 0 40 EDAB O=C(CSCc1cc(=O)n2ccsc2n1)NCc1ccco1 23413512 XHNWFOQTXHJAKV-UHFFFAOYSA-N 335.410 1.899 0 40 EDAB NC(=O)[C@@H](NS(=O)(=O)c1c(F)cccc1F)c1ccccc1 54797983 UTOMRQHCZOZCCG-LBPRGKRZSA-N 326.324 1.470 0 40 EDAB Cc1cc(N2CCN(c3ncccc3C(N)=O)CC2)nc(C(C)C)n1 24055170 BBVYHWBHDZCCEH-UHFFFAOYSA-N 340.431 1.729 0 40 EDAB O=C(Nc1nnc(C(F)(F)F)[nH]1)[C@H]1CC(c2ccccc2)=NO1 50603523 NGXKAOIKLXKDAW-SECBINFHSA-N 325.250 1.955 0 40 EDAB CC(=O)S[C@]12CCCN1C(=O)[C@@]1(SC(C)=O)CCCN1C2=O 1562999 LRUYQQROGQPNAF-KBPBESRZSA-N 342.442 1.197 0 40 EDAB O=C1CN(C(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)CCN1 40553397 KJRMSMWENWHMFA-LBPRGKRZSA-N 344.440 1.471 0 40 EDAB CN(Cc1ccccc1N1CCCC1)C(=O)CN(C)S(C)(=O)=O 40512885 ZARQVWDKEUQQKG-UHFFFAOYSA-N 339.461 1.137 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)OCO2 40553688 NPHBIBBEBSIXIX-CYBMUJFWSA-N 326.356 1.604 0 40 EDAB CCN1CCC[C@@H](NS(=O)(=O)c2cccc(NC(C)=O)c2)C1 40556311 QTVOHYGKZKNBBI-CQSZACIVSA-N 325.434 1.408 0 40 EDAB Cn1ncc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c1C(N)=O 2776612 OLCSWISXRNFEDA-UHFFFAOYSA-N 348.750 1.263 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 29207931 AKFKPRLSJHJVCI-CYBMUJFWSA-N 333.413 1.389 0 40 EDAB C[C@@H]1C(=O)C[C@@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]3(O4)[C@H]12 3881789 RQULTYIEQUNDLH-WZALZBFLSA-N 343.335 1.165 0 40 EDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cccc2cn[nH]c12 29385131 WDKBSBNCGPWWQG-UHFFFAOYSA-N 338.323 1.660 0 40 EDAB O=C(NCCc1c[nH]cn1)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 4902949 IBVLHTPYKMLQBU-ZROIWOOFSA-N 339.355 1.461 0 40 EDAB Cc1nnc(S/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)C(=O)O)[nH]1 6525891 VOLZWPGZAHCBIO-GHXNOFRVSA-N 345.384 1.521 0 40 EDAB COc1cc(CNCC2CCN(CCO)CC2)c2c(c1)C[C@H](C)O2 69368425 WHRVNEOAROIZSK-AWEZNQCLSA-N 334.460 1.813 0 40 EDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1F 382030 WOADYONRZDYYJE-UHFFFAOYSA-N 348.355 1.999 0 40 EDAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCC(C(N)=O)CC1 21334652 HLAOKYNGLCKMNV-OAHLLOKOSA-N 337.464 1.431 0 40 EDAB O=C(NCc1nc(C2CC2)no1)c1ccc(-c2ccco2)[nH]c1=O 75125032 BJOKWELIKIPEOU-UHFFFAOYSA-N 326.312 1.825 0 40 EDAB Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2F)c(=O)c1C(N)=O 32876445 UKEIRWGKZJJDTQ-UHFFFAOYSA-N 335.310 1.481 0 40 EDAB COc1ccc(CCNC(=O)[C@H](CC(C)C)NC(N)=O)cc1OC 2648622 PWRQJWSMFOMIFU-ZDUSSCGKSA-N 337.420 1.446 0 40 EDAB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NC[C@H]1CCCO1 2664310 GSNWLVXXHQAXGY-OAHLLOKOSA-N 346.383 1.265 0 40 EDAB Cc1ccc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)c(=O)[nH]1 75119583 KPYLEIOUAQALHI-AWEZNQCLSA-N 325.412 1.860 0 40 EDAB CCOC(=O)N1CCC(NS(=O)(=O)N2CCCCCC2)CC1 22411568 ZPPIFRXARUDHFT-UHFFFAOYSA-N 333.454 1.318 0 40 EDAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(c2nc(Cl)nc(Cl)n2)C1 100608060 KNJJDZGBWDVHNF-RKDXNWHRSA-N 338.198 1.964 0 40 EDAB Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)ccc1=O 54114984 VMVPZCIHRODJGK-AWEZNQCLSA-N 329.331 1.516 0 40 EDAB CCOCCCNc1nnc(S[C@H](C)C(=O)NC(N)=O)s1 23641618 JLMZONHEHQHPFX-SSDOTTSWSA-N 333.439 1.052 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)C2)n1 54703332 NYKSQCAFBYJNJL-UONOGXRCSA-N 332.404 1.343 0 40 EDAB O=C1O[C@H]2CC[C@@H]3[C@@H]2[C@H]2[C@H]1[C@H]1[C@H]4CC[C@@H]5OC(=O)[C@H]6[C@H]([C@H]54)[C@@H]1[C@@H]2[C@@H]36 104285415 HHHGRVYNFBEVKI-CHWKJZQASA-N 326.392 1.874 0 40 EDAB Cc1ccccc1Cn1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)n1 102014570 ONMJLDCACDZQAE-OTRWWLKZSA-N 337.379 1.907 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccccc1 24990080 NNTVZDAVCJEUCF-KRWDZBQOSA-N 344.436 1.689 0 40 EDAB O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)NC1CCCCC1 55568622 OEEICHOBEIIUHS-KRWDZBQOSA-N 347.434 1.965 0 40 EDAB CC(C)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 22840001 HSECXAZOPAOWHZ-CHWSQXEVSA-N 332.400 1.971 0 40 EDAB Cc1c(C(=O)N[C@@H](C)CN2CCCC2=O)cnn1-c1ccccc1 55813716 HJGZCNWJIHRTBT-ZDUSSCGKSA-N 326.400 1.921 0 40 EDAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC(C(N)=O)CC1 25707093 ZYDMLTUMUCBIGR-UHFFFAOYSA-N 330.413 1.851 0 40 EDAB COc1ccc(C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1-n1cnnn1 108465822 IKYOXDYAROHRPO-NBLIUIFLSA-N 325.372 1.445 0 40 EDAB CC1CCN([C@@H](C)CNC(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 58172211 JHZFNQJQQWIFBV-IRXDYDNUSA-N 345.491 1.930 0 40 EDAB C[C@H](Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)NC(N)=O 58194717 HGWVIPHGJRUNCS-ONGXEEELSA-N 341.795 1.893 0 40 EDAB CC(C)(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)O 3223817 SQDJLLIDJLQWJF-SNVBAGLBSA-N 329.403 1.469 0 40 EDAB CC1CCN([C@H](C)CNC(=O)c2ccc(S(C)(=O)=O)cc2)CC1 58282826 RESSTPDYCOSJIA-CQSZACIVSA-N 338.473 1.940 0 40 EDAB Cn1cnnc1CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 58214553 MFHHIIYAIGUJEM-NWDGAFQWSA-N 335.205 1.998 0 40 EDAB O=C(CCNC(=O)c1ccc(NC2CC2)nc1)Nc1ccccn1 58246824 PTRIEFGXPTUZQL-UHFFFAOYSA-N 325.372 1.810 0 40 EDAB Cc1ccc(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)cn1 44970475 PEXRQBDYOBKYPP-HNNXBMFYSA-N 326.404 1.648 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(-n2cccn2)cc1 44977779 AETOGJCYDGGNMT-CYBMUJFWSA-N 338.367 1.900 0 40 EDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1 3295855 DSZPBCFRGXJPKK-UHFFFAOYSA-N 326.761 1.912 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 58344410 GGXRNAVSDJHUEO-CJNGLKHVSA-N 336.457 1.860 0 40 EDAB c1ccc(CN2CCOCC2)c(CNC[C@@H]2CNc3ccnn3C2)c1 58326298 SCXRBBHRVXEBMD-MRXNPFEDSA-N 341.459 1.547 0 40 EDAB O=C(Cc1ccc2c(c1)CCO2)NCCNC(=O)CC1CCCC1 69488947 DPNPVYUXAVFEMH-UHFFFAOYSA-N 330.428 1.977 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@H]1CCCN(c3nccs3)C1)C2 69491271 VXRVVDOREBOVPB-LBPRGKRZSA-N 332.433 1.302 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(-n2ccnc2)cc1 48285935 AJIHTJDFBKITMU-OCCSQVGLSA-N 348.428 1.420 0 40 EDAB C[C@H](NC(=O)CN1CCN(Cc2nccn2C)CC1)c1cccs1 69455136 FKNQMMDBWADEQH-AWEZNQCLSA-N 347.488 1.477 0 40 EDAB Cn1cnc(C(=O)N2CC3(C2)OCC[C@H]3COc2ncccc2F)c1 306129890 IPTBXGSTAYHQQS-LBPRGKRZSA-N 346.362 1.264 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2cccc(C)c2C)NC(=O)NC1 12927417 GJCLXYMNDZFRQH-UHFFFAOYSA-N 332.356 1.590 0 40 EDAB Cc1cccc(OCCNC(=O)[C@@H](C)N2CCc3cncnc3C2)c1 69571092 KQGVILXDHKEPON-OAHLLOKOSA-N 340.427 1.727 0 40 EDAB O=C(NS(=O)(=O)c1cc(Cl)sc1Cl)[C@H]1COCCO1 69641950 CIJBJQLRMLAFAZ-RXMQYKEDSA-N 346.213 1.275 0 40 EDAB Cc1ccccc1CC(=O)Nc1cnn(CCN2CCOCC2)c1 69666488 VYNVSGBYBAITMC-UHFFFAOYSA-N 328.416 1.705 0 40 EDAB C[C@H](Oc1ccccc1F)C(=O)Nc1nnc(S(C)(=O)=O)s1 13550825 IEQMBCVTAWEROE-ZETCQYMHSA-N 345.377 1.487 0 40 EDAB COCCN(CC(=O)OC)C(=O)CCCOCCc1ccccc1 69739997 UJHXENLDRIMFHV-UHFFFAOYSA-N 337.416 1.674 0 40 EDAB c1ccc2nc(NC[C@@H]([C@@H]3CCOC3)N3CCOCC3)cnc2c1 39555098 DXIQPUFRSCXEOV-PBHICJAKSA-N 328.416 1.779 0 40 EDAB COc1cc(=O)c(C(=O)NC[C@H]2CCCO2)nn1-c1ccc(F)cc1 65197929 HMHBWISIWFSUHN-CYBMUJFWSA-N 347.346 1.289 0 40 EDAB CC[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)n1nnc2ccccc2c1=O 5206867 YWZWABGYALLLLH-HNNXBMFYSA-N 348.366 1.680 0 40 EDAB CCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1)C1=C(COC1=O)N2 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333.340 1.628 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 24472470 FVXMRDSNDKIRDV-UHFFFAOYSA-N 345.399 1.922 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCn2c(nc3ccccc32)C1 8992879 OUCJJNPZQPVRID-UHFFFAOYSA-N 331.401 1.581 0 40 EDAB CN(C)C(=O)Cc1ccccc1N[C@H]1CCN(CC(F)(F)F)C1=O 81154756 MBSRQJSWYNYPRK-ZDUSSCGKSA-N 343.349 1.892 0 40 EDAB O=C(O)C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2F)CCO1 91293949 KBHOIGQFWXZFOO-MRVPVSSYSA-N 337.756 1.343 0 40 EDAB Nc1nc(NC[C@@]2(O)CCCc3ccccc32)cc(-n2cccn2)n1 92896886 JTHHKHMEKXSRRL-SFHVURJKSA-N 336.399 1.881 0 40 EDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cccc(C(=O)OC)c1 69156326 ZTQAUTHUMABIOD-OAHLLOKOSA-N 332.400 1.946 0 40 EDAB Cc1ccc(CS(=O)(=O)c2n[nH]c(=O)n2C[C@@H]2CCCO2)cc1 71857355 LMNZODPCXLPPRZ-ZDUSSCGKSA-N 337.401 1.033 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)n1 71836483 ZGYINXGRXATJLW-QWHCGFSZSA-N 328.372 1.531 0 40 EDAB CS(=O)(=O)c1ccccc1-n1cc(NC(=O)N2CCCC2)cn1 71882501 JHFUEVMIIHMZFN-UHFFFAOYSA-N 334.401 1.904 0 40 EDAB Cc1cccc(C(=O)N[C@H](C(=O)NCc2ccc(=O)[nH]c2)C(C)C)c1 71911489 MWBVYKWXLOASBO-KRWDZBQOSA-N 341.411 1.754 0 40 EDAB NC(=O)[C@H]1CCCN1C(=O)c1cnn2c(-c3ccccc3)ccnc12 89851222 HSVXBOVHELWCJV-OAHLLOKOSA-N 335.367 1.486 0 40 EDAB CCCc1noc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)n1 89960520 UEWSVLHRLGSPLC-UHFFFAOYSA-N 337.343 1.361 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)N2CCN(C(C)=O)C[C@H]2C)c1 84186065 QASOHCLCEUMIGQ-GFCCVEGCSA-N 333.388 1.866 0 40 EDAB Cc1nc2cc(C(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)ccc2n1C 72269194 HALBRGYAVPCCPF-MSOLQXFVSA-N 342.443 1.553 0 40 EDAB COCc1nc(C)cc(N2CCC[C@H]2CC(=O)c2cnn(C)c2)n1 97047854 XPVPJIQFXQNSGZ-AWEZNQCLSA-N 329.404 1.907 0 40 EDAB Cc1cnc(CN(C)[C@@H]2CCN(CC(=O)Nc3cccnc3)C2)o1 84258756 CEMGDVJLBMWYJH-OAHLLOKOSA-N 329.404 1.523 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCc4nccn4C3)CC2=O)cc1 97197842 IKRFDBXPYNCMJL-CABCVRRESA-N 338.411 1.676 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Br)o2)C[C@H]1N1CCOCC1 76054450 BHBQLRAZWIXVOE-GHMZBOCLSA-N 343.221 1.835 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NC[C@H](O)c2ccccc2Cl)C1 95433161 WOPRLPCJCJZNBE-RISCZKNCSA-N 332.853 1.940 0 40 EDAB Cc1nc(C(=O)NC[C@H](O)COCc2ccccc2)c2ccccn12 95401008 WWUWLJYKSPUYBK-INIZCTEOSA-N 339.395 1.950 0 40 EDAB C[C@@H](CC(=O)c1ccco1)NC(=O)Cn1c(=O)cnc2ccccc21 95413750 IWLODXUKHWBHET-LBPRGKRZSA-N 339.351 1.767 0 40 EDAB Cc1nc([C@@H]2CCCN2Cc2csc(CC(=O)N(C)C)n2)no1 78757645 CSHRIEAEGWXFQY-LBPRGKRZSA-N 335.433 1.802 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CC[C@]2(O)CCCC[C@@H]2C1 85431159 BJEHFCFOIMOFDF-BFUOFWGJSA-N 341.411 1.619 0 40 EDAB Cc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1S(C)(=O)=O 95956876 JEXNPBLGCZBOMK-UHFFFAOYSA-N 325.386 1.335 0 40 EDAB CNC(=O)c1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1 78898488 CWWHKVCTFUHVLU-DYVFJYSZSA-N 329.444 1.783 0 40 EDAB CC(C)c1ocnc1C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 78901556 JQLPRYSCLBVCOG-JTQLQIEISA-N 331.376 1.640 0 40 EDAB CCc1ccccc1NC(=O)CN(C)c1nc2c(cnn2C)c(=O)[nH]1 79016458 SMPPFTHZNIMUFT-UHFFFAOYSA-N 340.387 1.294 0 40 EDAB CS(=O)(=O)CCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F 89484322 RGAAIJSIIJIWLM-LLVKDONJSA-N 338.351 1.504 0 40 EDAB COc1ccc(Br)cc1CNC(=O)NCC[S@](C)=O 89457423 FFVDGNHYDANXBK-LJQANCHMSA-N 349.250 1.635 0 40 EDAB CCn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)cn1 72237882 VIUSETKJNCTWOV-HZPDHXFCSA-N 328.372 1.440 0 40 EDAB CN(C)C(=O)N1Cc2ccnn2[C@H](CCOCC2CCOCC2)C1 306126760 FEQDRBLYBCPRIU-MRXNPFEDSA-N 336.436 1.755 0 40 EDAB Cc1cnn(C)c1S(=O)(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 518526344 XTTMCGFNASUKMG-LBPRGKRZSA-N 341.364 1.362 0 40 EDAB O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCC[C@H](O)C2)c[nH]1 521396893 RHLLTLWDKOAORN-ZDUSSCGKSA-N 349.412 1.412 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 409280306 KTLHBGHSBJYCFA-VWPFQQQWSA-N 347.754 1.716 0 40 EDAB COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1 524731182 MUJJSVQIMJFMOR-ZDUSSCGKSA-N 327.336 1.921 0 40 EDAB biogenic CN(C)CC(C)(C)CNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 78926386 HLJFYSNOYMNDPN-UHFFFAOYSA-N 343.431 1.289 0 40 EDAB O=C(NC[C@H](O)C1CCCCC1)C(=O)Nc1ccc2c(c1)OCCO2 69968331 DENGBXFLHHLTNK-AWEZNQCLSA-N 348.399 1.454 0 40 EDAB CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1cccs1 72324293 RCVXDUGICPMYLD-GFCCVEGCSA-N 343.412 1.699 0 40 EDAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1nc2ncccn2n1 36618714 FQLIAEIKVCOYJJ-UHFFFAOYSA-N 337.318 1.761 0 40 EDAB Cc1csc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)n1 72238008 ZJJNIUMQGVOCBE-KGLIPLIRSA-N 331.397 1.989 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccccc2Cn2cncn2)C[C@@H](C)O1 79404709 AULJLJSZXNBKIC-GASCZTMLSA-N 343.431 1.165 0 40 EDAB O=C(NCCN1CCCOCC1)N[C@@H]1CCN(CC2CCCC2)C1 187225522 HUWMIWXWIKEKLT-QGZVFWFLSA-N 338.496 1.272 0 40 EDAB Cc1ccc(NC(=O)CCCS(=O)(=O)N2CCCC2)cc1O 131689648 CXRDJIYEGGWEJZ-UHFFFAOYSA-N 326.418 1.845 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2ccccc2)o1 44357561 AZWWKMLCXKQITR-LLVKDONJSA-N 336.373 1.099 0 40 EDAB O=C(NC[C@@H](O)C1CCOCC1)[C@H]1CCCN1Cc1ccccc1 195530568 PVTNUWYMPFEUCO-QZTJIDSGSA-N 332.444 1.555 0 40 EDAB O=C(NCc1nccc(N2CCOCC2)n1)Nc1ccccc1F 224172458 PVJSLUQCVOUQSR-UHFFFAOYSA-N 331.351 1.774 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)c(C)c1 223295378 CAOANUWUNPGAKC-UHFFFAOYSA-N 334.397 1.968 0 40 EDAB CN(C)CCCNC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O 41549933 JKYMRKLWGXQVCC-HNNXBMFYSA-N 325.796 1.498 0 40 EDAB Cc1ccccc1C[C@@H](CO)NC(=O)C[C@H](C)N1CCCCC1=O 194215896 GSOQKINHSGGDKL-RDJZCZTQSA-N 332.444 1.806 0 40 EDAB CCn1ccc(NC(=O)Cn2cc(COc3ccc(F)cc3)nn2)n1 227161074 QAYQWUAQFVRBHL-UHFFFAOYSA-N 344.350 1.851 0 40 EDAB CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H]2c2cnn(C)c2)n1 225819504 KJIJSRZGNZAFIQ-CYBMUJFWSA-N 346.439 1.171 0 40 EDAB CN(Cc1cnccn1)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 96436650 VJSFUEJAGDGLFV-GOSISDBHSA-N 340.427 1.726 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@@H](CC(=O)Nc4cnccn4)[C@H]3C2)no1 96218928 AQOJXCXEXQSLIB-BPLDGKMQSA-N 343.387 1.249 0 40 EDAB O=C([C@@H]1CO[C@@H]2CCN(Cc3cccnc3)C[C@@H]2C1)N1CCCO1 96058173 FJRSRZIYHNTEBK-YESZJQIVSA-N 331.416 1.473 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CCNC(=O)c2cc(C)nn2C)cc1 96192448 WHBILGMJFDFDMT-UHFFFAOYSA-N 343.387 1.446 0 40 EDAB Cn1cccc(C(=O)NCCn2ccc(-c3cccs3)n2)c1=O 96103813 OUDAHIUPRBIAKF-UHFFFAOYSA-N 328.397 1.740 0 40 EDAB Cn1cc([C@H]2CC(=O)NC23CCN(C(=O)c2ccsc2)CC3)cn1 96199790 RSWJOIQYCOUQRE-CQSZACIVSA-N 344.440 1.760 0 40 EDAB O=C(c1ccccn1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 96049165 DFAVFUKZJXVCHI-SFHVURJKSA-N 339.399 1.383 0 40 EDAB Cc1cc(C(=O)N2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)no1 96041385 YXTDUDCAPDZAFS-ULQDDVLXSA-N 343.383 1.967 0 40 EDAB COc1cc(Br)ccc1CN1C[C@H]2[C@@H](C1)OCCN2C 96500852 HKKKUBGLZGLDTK-DZGCQCFKSA-N 341.249 1.973 0 40 EDAB CN1CCN(Cc2cnc3n2CCN(C(=O)c2ccsc2)C3)CC1 96087566 QCKHFWGYICVDDU-UHFFFAOYSA-N 345.472 1.348 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CC1)CN(Cc1ccccn1)CCO2 96158852 UAQXPOFMMMAARU-INIZCTEOSA-N 345.443 1.312 0 40 EDAB CN(Cc1cccc(N(C)C)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 96485264 BBPWJECTZOBTTQ-INIZCTEOSA-N 339.505 1.856 0 40 EDAB O=C(c1ccccn1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96218653 CGHRPWOEISNXLQ-UXLLHSPISA-N 325.368 1.928 0 40 EDAB CNCCCNS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 96499800 NLXGFDFTDFCDNQ-UHFFFAOYSA-N 349.250 1.540 0 40 EDAB CN(C)C[C@]12COC[C@H]1CN(S(=O)(=O)c1ccccc1F)C2 96108252 QIYKYJJESWBFEY-DOMZBBRYSA-N 328.409 1.024 0 40 EDAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)Cc2cn3ccsc3n2)C1 96419140 BWISERIPEWUUMI-JQWIXIFHSA-N 341.458 1.410 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)N[C@H]2CCc3ccc(F)cc32)cn1 96421544 RXQMSDUFMWURGM-DOTOQJQBSA-N 332.379 1.753 0 40 EDAB O=C(c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1ccno1)CC[C@@H]2F 96078729 NKYFDRCTMQFQNN-WMLDXEAASA-N 347.346 1.984 0 40 EDAB COc1ncccc1C(=O)N1CC[C@H]2C[C@@H](c3noc(C)n3)O[C@@H]2C1 96046417 YVITWRZZPMVWHU-FPMFFAJLSA-N 344.371 1.774 0 40 EDAB O=S(=O)(NC[C@@H]1CN(C2CCC2)Cc2ccnn21)c1ccccc1 247297432 CYUDEBVOEOUGBN-MRXNPFEDSA-N 346.456 1.771 0 40 EDAB CN1C[C@H](N(C)S(=O)(=O)c2cnc3ccsc3c2)CCC1=O 583650981 CLGJZSSUQICJBP-SNVBAGLBSA-N 339.442 1.538 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)nc(C)n1 257210895 BWPMXUAHAVPMBO-INIZCTEOSA-N 341.415 1.909 0 40 EDAB COc1ccc([C@@H]2CNCCN2C(=O)CCCn2ccnc2)cc1 257222413 DTESNGIUSCMRAD-KRWDZBQOSA-N 328.416 1.845 0 40 EDAB CO[C@H]1CCCOC12CCN(C(=O)c1ccc(OCCN)cc1)CC2 257287307 PPJWKAIEWLJAFB-KRWDZBQOSA-N 348.443 1.824 0 40 EDAB Cc1nc(CN2C[C@@H](O)[C@H](Oc3ccc(CC(=O)O)cc3)C2)cs1 257260177 LBQQVOHCQUGBKR-HZPDHXFCSA-N 348.424 1.703 0 40 EDAB Cn1cccc1C(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257232693 GLZQUMGUYWTEKS-UHFFFAOYSA-N 325.372 1.793 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)CCc2c(C)noc2C)n1 257303562 SHSAFEGDZFGJIC-OAHLLOKOSA-N 346.387 1.628 0 40 EDAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)CO)[C@H]1CCCCC(=O)N2 257287163 POTZWVSUQKLTQZ-GJYPPUQNSA-N 330.428 1.640 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)Cn3cccn3)CC2)cn1 257227019 FNHGMGFOSKHJRW-UHFFFAOYSA-N 342.447 1.216 0 40 EDAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)CC1 257244434 ILHFDWFUDMBMOP-QRTARXTBSA-N 344.459 1.991 0 40 EDAB CN(C)C(=O)[C@]1(CCCc2cccnc2)CCCN(CC(N)=O)C1 257325997 WVIPKCFBPMXDHS-GOSISDBHSA-N 332.448 1.060 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)Cn3cnc4ccccc43)CCO2)n1 257242631 IDJYBAJZZHSXAN-MRXNPFEDSA-N 339.399 1.678 0 40 EDAB CON1CCC(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1 585089401 KSPBHPXVJOIMGV-UHFFFAOYSA-N 341.452 1.776 0 40 EDAB Cc1cc(C(=O)Nc2ccc3c(c2)nc(C)n3C(CO)CO)nn1C 585087517 BYJXPWLYKRZZKZ-UHFFFAOYSA-N 343.387 1.165 0 40 EDAB O=S(=O)(c1ccccc1)N1CCO[C@H](CCc2ccncn2)C1 257294463 QUHNQWIFELGPGB-OAHLLOKOSA-N 333.413 1.499 0 40 EDAB CN(C)Cc1cnc(CC2CCN(Cc3cncn3C)CC2)cn1 257300538 RUQWTOIIKZXJGN-UHFFFAOYSA-N 328.464 1.726 0 40 EDAB O=C(Cc1ccc(F)cc1F)N1CC[C@@H](c2cc(O)nc(O)n2)C1 585126688 GAMOCVBPLRQFNJ-SNVBAGLBSA-N 335.310 1.725 0 40 EDAB CO[C@H](C)[C@H](C)NC(=O)c1cnn2c(-c3cccnc3)ccnc12 585132172 PYPQJANAYKHAEQ-NWDGAFQWSA-N 325.372 1.945 0 40 EDAB O=C(OC[C@@H]1CCCO1)N(CCN1CCOCC1)[C@@H]1CCSC1 585115163 OYWAWBPRPKWWEP-CABCVRRESA-N 344.477 1.442 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC[C@H](Cc3ccccn3)C2)CC1 257277449 NYAHTTYEYUOVIC-QGZVFWFLSA-N 331.460 1.710 0 40 EDAB C[C@@]1(O)CCN(C(=O)C2CCCC2)C[C@H]1n1cnc2c(N)ncnc21 257237921 HIUMYHBVNBOBDO-SJKOYZFVSA-N 344.419 1.123 0 40 EDAB O=C(O)c1cnc(C(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)cn1 263106712 BKWXAYSAGFUHJW-AWEZNQCLSA-N 346.387 1.086 0 40 EDAB C[C@H](CN1CCOCC1)N(C)S(=O)(=O)c1ccc(Cl)cc1 278814738 SPHIBMWDSCEDHX-GFCCVEGCSA-N 332.853 1.681 0 40 EDAB CC(=O)NCCNC(=O)Nc1cc(F)cc(Br)c1F 279065964 ZQJIKTUKTLVULR-UHFFFAOYSA-N 336.136 1.985 0 40 EDAB CN(CC(N)=O)C[C@@H]1CN([C@@H]2CCc3c(Cl)cccc32)CCO1 282227078 ZBORZYGPUOFVGM-MLGOLLRUSA-N 337.851 1.445 0 40 EDAB CC(=O)N1CCN(C(=O)CCOCC2CC2)CCC12CCOCC2 1615550477 UZBJMMOJAGQLAR-UHFFFAOYSA-N 338.448 1.433 0 40 EDAB CC1(C2CCN(c3nnnn3CCCc3ccco3)CC2)OCCO1 1616031960 HCOFIMBMQXRWRW-UHFFFAOYSA-N 347.419 1.878 0 40 EDAB O=C1CN(S(=O)(=O)c2ccc(Cl)s2)c2ccncc2N1 390834043 QTIWJAAUNJYLQX-UHFFFAOYSA-N 329.790 1.944 0 40 EDAB CC1CC(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)C1 585110603 FXYBSMBUSQZVRJ-UHFFFAOYSA-N 332.448 1.146 0 40 EDAB CN(Cc1ccns1)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O 824872591 BOODEPOKSIOYRF-JTQLQIEISA-N 335.351 1.902 0 40 EDAB O=C(CCCn1ccnc1)N1CC[C@@](O)(COc2cccc(F)c2)C1 585270736 AFSQRIQZHCGGJI-SFHVURJKSA-N 347.390 1.845 0 40 EDAB CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(C(=O)c1ccnnc1)CC2 585096663 YOYVSAXDNFNSHP-NSHDSACASA-N 328.376 1.028 0 40 EDAB Cc1ncc(CN2CCO[C@](CO)(Cc3ccccc3F)C2)cn1 585276008 KROWDJJTWAPGHJ-GOSISDBHSA-N 331.391 1.730 0 40 EDAB COCc1nnc2n1CCN(C(=O)c1cccc3c1OCCO3)[C@H]2C 585096892 FAZWTQJDBKTQHS-NSHDSACASA-N 344.371 1.413 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)c2csc3c2CCCC3)CC1 52051982 XFYHEDFMDOBPRV-UHFFFAOYSA-N 342.486 1.734 0 40 EDAB CN(CCNC(=O)c1c[nH]c(=O)c(Cl)c1)C(=O)OC(C)(C)C 69444266 MXMIVYIEWYEXJW-UHFFFAOYSA-N 329.784 1.625 0 40 EDAB COc1cc(OC)c(CCNC(=O)Nc2nncs2)c(OC)c1 69818697 PNQOZVDUJFYAAB-UHFFFAOYSA-N 338.389 1.928 0 40 EDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2nnnn2C2CC2)C1 548336421 IBSXDQOTMIESOD-HNNXBMFYSA-N 347.448 1.010 0 40 EDAB CCCCNC(=O)Cn1nc(Br)c(Br)n1 585086766 YJRJCCGEOVIGAH-UHFFFAOYSA-N 340.019 1.719 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCO[C@@H]1CCCC[C@@H]1C 40536057 FNJIJOYFUVGTQX-SMDDNHRTSA-N 337.420 1.016 0 40 EDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NC(=O)c2ccccc2)nn1 1549161053 JNTFYGMHWBYXQV-SQWLQELKSA-N 344.415 1.134 0 40 EDAB O=c1nc2s/c(=C/c3ccccc3)c(=O)n2nc1-c1ccccc1 5772516 WXYMQVUYDMAINH-SDNWHVSQSA-N 333.372 1.726 0 40 EDAB Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(Cc4ccccc4)c3n2)o1 12114160 WSDIHYLOLOHCTE-UHFFFAOYSA-N 349.350 1.835 0 40 EDAB CN(C)CCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 13670200 KDMQWJLZWCQQCP-UHFFFAOYSA-N 345.440 1.050 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)[C@@H]3CCCN3c3ncccc32)no1 19119521 BDFDJJFEQJNHHW-LBPRGKRZSA-N 327.344 1.332 0 40 EDAB CCCS(=O)(=O)NC[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1 9035952 XRWFXHLBUIGDSE-CYBMUJFWSA-N 340.445 1.768 0 40 EDAB CO[C@H](CS(=O)(=O)Nc1cnn(C)c1C(=O)O)c1ccccc1 560250012 RWQMMOFESKMETP-GFCCVEGCSA-N 339.373 1.248 0 40 EDAB COc1cc(CN2CCO[C@H](C(=O)N3CCCCC3)C2)cc(OC)c1 1888849959 WHGCCBHUGXXBKL-SFHVURJKSA-N 348.443 1.917 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CN1C(=O)CCOc2ccccc21 25048104 HWOCNPGBWDCMOZ-UHFFFAOYSA-N 328.372 1.194 0 40 EDAB CCN1C[C@H](C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)CC1=O 28835261 OFZNYFCPIVJFPZ-DZGCQCFKSA-N 326.400 1.918 0 40 EDAB Cn1cncc1C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1775985899 HIXOKUGRTWQVRO-KRWDZBQOSA-N 327.384 1.966 0 40 EDAB CC(C)N1Cc2cncn2[C@]2(CCCN(C(=O)C3CC(O)C3)C2)C1 1614929747 NZHQUIKDNKPVBJ-PVARCSIZSA-N 332.448 1.196 0 40 EDAB CCN(C)C(=O)c1cnc2n1C[C@@H](NC(=O)C1CC(F)(F)C1)CC2 1565556271 ANOJNTKGCYBTIL-NSHDSACASA-N 340.374 1.451 0 40 EDAB O=C(CC1(O)CCC1)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1 1565551132 MUIJKNWEXGRPQX-DNVCBOLYSA-N 345.443 1.949 0 40 EDAB Cc1ncnc(C(=O)N2CC3(CCN(C(=O)c4ccoc4)C3)C2)c1C 1565549054 OELWLYHMYPEOLZ-UHFFFAOYSA-N 340.383 1.675 0 40 EDAB COC(=O)c1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 4107204 UNQREDMCCFPYBM-UHFFFAOYSA-N 331.284 1.454 0 40 EDAB CCC(=O)N1CCC(Nc2nccs2)(C(=O)NCCOC)CC1 2055738976 FCHAVLBVXVKERD-UHFFFAOYSA-N 340.449 1.089 0 40 EDAB O=C(N[C@@H]1CCc2onc(CN3CCCC3)c2C1)c1ccnnc1 2055734772 USBFJDXEYLIGPW-CYBMUJFWSA-N 327.388 1.348 0 40 EDAB CC(=O)NCC1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 18217931 OKOUCIRIMOOQGJ-MRXNPFEDSA-N 347.390 1.306 0 40 EDAB O=C1CN(C(=O)CS(=O)(=O)c2ccc(F)cc2)c2ccccc2N1 21009816 CBNOHBKRDLVIIH-UHFFFAOYSA-N 348.355 1.585 0 40 EDAB COc1ccccc1CCNc1ccnc2c1c(=O)n(C)c(=O)n2C 22767821 ZMESRKDTUZBAAX-UHFFFAOYSA-N 340.383 1.295 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCc2nc3ncccc3cc2C1 1891462200 KTSNKXAMKGTZLJ-UHFFFAOYSA-N 344.396 1.982 0 40 EDAB O=C1CCC(=O)N1C1CN(S(=O)(=O)c2cccc3ccccc23)C1 206954189 IMWKHALZZUITOR-UHFFFAOYSA-N 344.392 1.362 0 40 EDAB Cc1cc(C(=O)NCc2nc(-c3cc(C4CC4)on3)no2)n(C)n1 575617807 XBXMJQMDIFIBFX-UHFFFAOYSA-N 328.332 1.574 0 40 EDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(OCC(F)(F)F)C1 390827122 UNVJAOXJQUTMIE-VIFPVBQESA-N 347.289 1.972 0 40 EDAB O=C(NC[C@]1(O)CCc2ccccc2C1)C(=O)Nc1cccnc1 85560416 FKWHRRCOCXXTPZ-SFHVURJKSA-N 325.368 1.056 0 40 EDAB NC(=O)[C@H](CNC(=O)NCc1cccnc1)Cc1ccc(F)cc1 69379072 KVOUIRRIYJBVHB-AWEZNQCLSA-N 330.363 1.364 0 40 EDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)COc2ccccc2)C1 265608 NBALYZNRIXPTQB-BBWFWOEESA-N 340.423 1.707 0 40 EDAB biogenic CCCn1nnnc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 569499 ZJCLXRMOCDARSW-UHFFFAOYSA-N 338.824 1.792 0 40 EDAB CN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H]1c1ccc(Cl)cc1 90002103 JNBRDTGMYUAKNK-XJKSGUPXSA-N 346.818 1.609 0 40 EDAB Cc1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1F 11428805 ADHKIVKNTJWQBG-UHFFFAOYSA-N 329.335 1.606 0 40 EDAB O=c1[nH]c(O)c([C@H]2NCCc3ccccc32)c(=O)n1Cc1ccccc1 20410504 XRRRUWOMIVBDIT-KRWDZBQOSA-N 349.390 1.526 0 40 EDAB biogenic Cc1ccccc1OCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 3127229 CDLIIWYQUJJNSE-UHFFFAOYSA-N 327.340 1.210 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(C(=O)N2CCCC2)CC1 11563148 QUOURAOZBZHTGN-UHFFFAOYSA-N 346.387 1.781 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 100907093 SLVLJBWSJIGQQU-VGWMRTNUSA-N 341.367 1.748 0 40 EDAB CNC(=O)C1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1 29165068 HASJEUUABKNLEP-UHFFFAOYSA-N 333.436 1.395 0 40 EDAB O=S1(=O)C[C@@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@H]2C1 6661745 LSDQQQCPBZFCSX-UWVGGRQHSA-N 336.360 1.566 0 40 EDAB COc1ccc2nc(NC(=O)c3nn(C)cc3C(=O)O)sc2c1 20614749 ADKRJCOMIUJWMU-UHFFFAOYSA-N 332.341 1.989 0 40 EDAB COc1cc(C(=O)OCC(=O)N[C@@H](C)C(C)C)cc2c1OCCO2 7939269 VOWWVSDYWSISFT-NSHDSACASA-N 337.372 1.784 0 40 EDAB CC1(C)NC(=O)N(CCOC(=O)Cc2ccc3c(c2)CCO3)C1=O 45993863 KLEPTONCFNXTQM-UHFFFAOYSA-N 332.356 1.038 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1cccc3nonc13)C2 90168590 PMYXTFBZZBWWIO-SNVBAGLBSA-N 333.373 1.021 0 40 EDAB O=C(CN1C(=O)c2cccnc2C1=O)Nc1cccc2ncccc12 20735626 GBDKHYYASUOUAG-UHFFFAOYSA-N 332.319 1.865 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccc2c(c1)OCCCO2 32282157 WMLJLXITSWRWFE-TZMCWYRMSA-N 347.415 1.816 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CNc1cccc(F)c1)n2C 8403607 FZZHDMAHLWSSMN-UHFFFAOYSA-N 345.378 1.975 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCc2cccc(Cl)c2)C[C@H](C)O1 32895603 JMJSIALRRHAQSW-RYUDHWBXSA-N 332.853 1.826 0 40 EDAB COc1ccc(CCNC(=O)C(=O)NCc2ccc(F)cc2)cc1 9912070 LHLKNJOODUQLAB-UHFFFAOYSA-N 330.359 1.809 0 40 EDAB C[C@@H]1CN(C(=O)CS(=O)(=O)C/C=C/c2ccccc2)C[C@@H](C)O1 32929652 ITTXFZTVRVJVTC-VOTDVEDPSA-N 337.441 1.750 0 40 EDAB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc(F)c2)n1 102604674 LDBBFCAQELALIQ-XOUADPBQSA-N 341.342 1.737 0 40 EDAB Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1csc(C(N)=O)c1 56678023 DQGVHRSPXFAKKT-UHFFFAOYSA-N 340.382 1.654 0 40 EDAB C[S@](=O)c1ccc(C(=O)N2CCC(NC(=O)C3CC3)CC2)cc1 42080128 BKCBYKFOXJVAOH-HSZRJFAPSA-N 334.441 1.555 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN[C@@](C)(CC(C)C)C(N)=O 75142031 CBNHXSYYEGWJNP-IBGZPJMESA-N 347.459 1.854 0 40 EDAB CN(CCCOc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 42870924 GDKIFTAKJPNFTM-ZDUSSCGKSA-N 326.418 1.284 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 42871769 KWNYCGSCWVAZJL-UKRRQHHQSA-N 338.429 1.729 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cn2cncn2)cc1 54815282 HLBSACRQCORDME-OAHLLOKOSA-N 327.388 1.019 0 40 EDAB O=C(NCCN1CCOCC1)NCc1ccc(-n2cccn2)cc1 42949736 ASDNYPWKNDQLHE-UHFFFAOYSA-N 329.404 1.004 0 40 EDAB COC(=O)[C@H](CN1CCCC1)[C@](O)(c1nccn1C)C(F)(F)F 24927105 SWNDJQGTXIQNIL-GWCFXTLKSA-N 335.326 1.055 0 40 EDAB COC(=O)C1(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CCCCC1 25171261 CVEVUQXHAUFNCE-XHDPSFHLSA-N 340.445 1.433 0 40 EDAB Cn1cc(S(=O)(=O)NCCc2ccc(C(F)(F)F)cc2)cn1 55959401 FHRRIBYNJHTRFH-UHFFFAOYSA-N 333.335 1.960 0 40 EDAB CCOc1ccc(-n2nc(CO)c(C(=O)NC[C@H]3CCCO3)n2)cc1 21783383 QJDZHFUFGHKXHN-CQSZACIVSA-N 346.387 1.067 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 56073164 FKEOGHRZXPYKOZ-CQSZACIVSA-N 326.418 1.727 0 40 EDAB COC(=O)N(C)c1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 56449198 DHPFLCYOUZRREO-UHFFFAOYSA-N 333.344 1.367 0 40 EDAB CN1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1c1ccc(Cl)c(F)c1 107536302 AAHHGFMTXGXIHN-GXTWGEPZSA-N 338.774 1.027 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1 15699191 OIOBPXGROQWWSU-UHFFFAOYSA-N 339.394 1.947 0 40 EDAB COc1ccc(OCC(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 3286082 CMFJNROKUNJHLO-CHWSQXEVSA-N 337.372 1.253 0 40 EDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)C)c(C)c1 58195491 KTEWZNXOVSHLRC-UHFFFAOYSA-N 328.434 1.493 0 40 EDAB CC(=O)CS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 27664635 SNIDNJBJVPOGHL-UHFFFAOYSA-N 339.398 1.462 0 40 EDAB CC1CCN([C@@H](C)CNC(=O)COc2ccc(C(N)=O)cc2)CC1 58289927 PATDZGKVQILLJC-AWEZNQCLSA-N 333.432 1.401 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N3CCOC[C@@H]3C)CC2=O)cc1OC 44912255 AYAJZRRTMPIACV-QWHCGFSZSA-N 348.399 1.304 0 40 EDAB C[C@H]1c2ccsc2CCN1S(=O)(=O)C1CCS(=O)(=O)CC1 58342371 JSMHTIUXHKREBI-JTQLQIEISA-N 349.499 1.574 0 40 EDAB COCCOc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)cc1 28326051 UUERPVYZXJHXOK-DOMZBBRYSA-N 329.418 1.558 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2OCC(N)=O)c1 8328641 LJLHZICKOCPHMI-UHFFFAOYSA-N 342.351 1.898 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(-n2ccnc2)cc1 48285933 AJIHTJDFBKITMU-JSGCOSHPSA-N 348.428 1.420 0 40 EDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1Cl 12876033 VYYWHWWFATXNIB-GFCCVEGCSA-N 330.837 1.075 0 40 EDAB CN1CCO[C@@H](CCNC(=O)C(C)(C)NC(=O)c2cccs2)C1 67909529 KUCKXRGMJKBLLW-LBPRGKRZSA-N 339.461 1.093 0 40 EDAB C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O 3412821 PJGCWKMZBLUPLO-MLUIRONXSA-N 328.173 1.106 0 40 EDAB in-vitro COc1ccc(CNC(=O)[C@@H](C)NC(=O)COc2ccccc2)cc1 3448804 ZHLZWKUCWZJXTP-CQSZACIVSA-N 342.395 1.895 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCC[C@H]2C)c1C 3545938 MDSMBYKMGVHKDP-SNVBAGLBSA-N 336.388 1.976 0 40 EDAB NC(=O)C1CCN(Cc2cc3c(cc2Br)OCO3)CC1 8317410 VTXXXXLFXUVLTE-UHFFFAOYSA-N 341.205 1.875 0 40 EDAB O=C(c1ccccc1-n1cnnn1)N1CCN(c2ccccc2)CC1 7609201 QTKZNNJFNLBXPB-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 7738664 YDHUHCUYXNDLHT-HNNXBMFYSA-N 328.372 1.026 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 13678583 PBTNQUCWVKIFHH-UHFFFAOYSA-N 328.434 1.864 0 40 EDAB C[C@@H]1CCCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)C1 13689048 UQPVBYXGABALLI-CYBMUJFWSA-N 341.411 1.980 0 40 EDAB O=C(O)c1ccc(N2C(=O)C[C@H](N(O)c3ccccc3)C2=O)cc1 5025334 BBDGPKPIFBOGGL-AWEZNQCLSA-N 326.308 1.913 0 40 EDAB O=C(CSc1nc2c(c(=O)[nH]1)CCC2)NCCc1ccccc1 5054689 ZGOAPJCSKLRZCQ-UHFFFAOYSA-N 329.425 1.710 0 40 EDAB COc1cc2c(cc1CNCC1CCN(CCO)CC1)O[C@H](C)C2 69420705 XFCNRUCZRDDXRW-CQSZACIVSA-N 334.460 1.813 0 40 EDAB CC[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 7814169 PPDACTYFAUGPQV-DGCLKSJQSA-N 328.409 1.894 0 40 EDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1cccc(F)c1 5182312 GPSWONOPKKVBBM-UHFFFAOYSA-N 341.298 1.858 0 40 EDAB COc1ccc(NC(=O)Cn2nnc(COc3ccccc3)n2)cn1 7849182 XKAFKGFTSNTRJB-UHFFFAOYSA-N 340.343 1.294 0 40 EDAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 69418176 LMGMPFLKVFZSFZ-ROUUACIJSA-N 340.427 1.604 0 40 EDAB COC(=O)c1ccc(CNC(=O)COc2ccc(C(N)=O)cc2)cc1 6290364 CMSVYKTZPSVMPI-UHFFFAOYSA-N 342.351 1.267 0 40 EDAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1cnn(CC(N)=O)c1 65423728 WOJWMLGUIJFCDB-LBPRGKRZSA-N 333.417 1.971 0 40 EDAB C[C@@H](OC(=O)c1ccc(Cn2cncn2)cc1)C(=O)NC(C)(C)C 14148596 JCAWTXUCTVGQIK-GFCCVEGCSA-N 330.388 1.786 0 40 EDAB CCn1cnnc1CNC(=O)N1Cc2ccccc2N(C)C[C@H]1C 81529410 IGNVDVCLQIZVCW-CYBMUJFWSA-N 328.420 1.848 0 40 EDAB CCS(=O)(=O)NCCNC(=O)C[C@@H](C)CCc1ccccc1 69006461 CFQXXSXYAMSNPU-AWEZNQCLSA-N 326.462 1.701 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@H](CC(=O)O)C1 91293965 JXCVZTUJOJDDSO-LLVKDONJSA-N 333.793 1.513 0 40 EDAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207328 CICUGEMNXPCZPK-UHFFFAOYSA-N 328.434 1.622 0 40 EDAB Cc1noc(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)n1 66186838 FAMHYNZDEICHGG-UHFFFAOYSA-N 347.394 1.981 0 40 EDAB CCOc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCSC3=O)CC2=O)cc1 4732145 ALHUPTWCFFZPKQ-SMDDNHRTSA-N 348.424 1.587 0 40 EDAB CC(C)CN(C(=O)Cn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 14737634 XBUAJDHZJXSCQO-AWEZNQCLSA-N 349.456 1.708 0 40 EDAB O=C1C[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2cccc(Cl)c2)O1 66331783 GNPPCWNVUFFTIJ-AVMWIMHJSA-N 338.787 1.948 0 40 EDAB CCOc1ccc(-n2ccn(CC(=O)N[C@H](C)CC)c(=O)c2=O)cc1 67255946 NQHRWQIUYOUKMI-CYBMUJFWSA-N 345.399 1.313 0 40 EDAB NS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@@H](n3cccn3)C2)c1 69351979 RRYDYUPURNCARZ-OAHLLOKOSA-N 348.428 1.149 0 40 EDAB NS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@H](n3cccn3)C2)c1 69351978 RRYDYUPURNCARZ-HNNXBMFYSA-N 348.428 1.149 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1cn(-c3ccccc3Cl)nn1)C2 69528852 VFBQIWMFEPZHQG-UHFFFAOYSA-N 343.778 1.477 0 40 EDAB CSCc1nc2ccccc2n1CC(=O)NCCC[S@@](C)=O 69700886 MMJBMWJUDWCAAY-QFIPXVFZSA-N 339.486 1.784 0 40 EDAB Cc1cc(NC(=O)CCN(C)[C@@H]2CCCN(c3cccnn3)C2)no1 69870686 UNEYUAROQBQUQQ-CQSZACIVSA-N 344.419 1.702 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(F)cc2F)CC1 69807947 FVFWVDDZXQUQAJ-CYBMUJFWSA-N 328.359 1.120 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)[C@@H](C)c2cc(C)oc2C)CC1 69930077 YLVUSTJGZFGTDB-HOCLYGCPSA-N 338.448 1.542 0 40 EDAB COc1ccc([C@]2(C)NC(=O)N(Cc3cc(C)on3)C2=O)cc1OC 8987847 VELSYZPLQIDUBU-KRWDZBQOSA-N 345.355 1.967 0 40 EDAB Cc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1C 84180884 NTICIJYHPIAQPI-UHFFFAOYSA-N 326.462 1.693 0 40 EDAB NC(=O)C[C@H](NC(=O)c1ccnc(-n2cncn2)c1)C1CCCCC1 82979787 OPRKPSFMEGELJC-AWEZNQCLSA-N 342.403 1.216 0 40 EDAB CNS(=O)(=O)CC(=O)NC[C@H](C)c1c(Cl)cccc1Cl 83087603 YWZVKROVJOHVJX-QMMMGPOBSA-N 339.244 1.762 0 40 EDAB NC(=O)CNC(=O)c1ccc(OC(=O)c2cc3occc3s2)cc1 72289681 XWUNGRDGVKSWKV-UHFFFAOYSA-N 344.348 1.929 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 72281006 JEUHUCREEBCVSK-MFKMUULPSA-N 342.465 1.028 0 40 EDAB CN(C)c1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 96307681 JZUGBFZAXWEHTM-GASCZTMLSA-N 329.400 1.866 0 40 EDAB CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CC1CCOCC1 97013981 GXPSOEQFLLIXIG-ZDUSSCGKSA-N 342.465 1.582 0 40 EDAB O=C(c1cnc2sccn2c1=O)N1CCC[C@H]1Cn1cccn1 71866286 JRFSZKZSQANNMY-NSHDSACASA-N 329.385 1.257 0 40 EDAB C[C@@H](NC(=O)CNC[C@H]1CCCN1c1cccnn1)c1ccccc1 71859847 ASIRMQAVKVQNMD-NVXWUHKLSA-N 339.443 1.912 0 40 EDAB CC(C)c1nn(C)cc1C(=O)N1CCN(Cc2cccnc2)CC1 71821475 CDEBVRCQCNFZHU-UHFFFAOYSA-N 327.432 1.897 0 40 EDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C 71870476 HOHJYMBSMNYMCL-IRXDYDNUSA-N 342.443 1.956 0 40 EDAB O=C1CCN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)CCN1 71839522 CNRGSKZLXFXMTK-UHFFFAOYSA-N 346.362 1.547 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cccc(OCC(N)=O)c2)c1 71869778 PHYNGPIHTHRMOF-HNNXBMFYSA-N 342.399 1.360 0 40 EDAB O=S(=O)(Nc1nc2ccccn2n1)c1cnn(-c2ccccc2)c1 97164250 OQMHBJIILWNLCU-UHFFFAOYSA-N 340.368 1.716 0 40 EDAB CC(C)c1nnc(CNC(=O)c2cccc3c2oc(=O)n3C)n1C 97114705 LEZQLPMTASGNTD-UHFFFAOYSA-N 329.360 1.313 0 40 EDAB CC(C)NC(=O)NC(=O)[C@@H](C)Nc1cnn(Cc2ccccc2)c1 97139990 VCTQNNCJSKVHCX-CYBMUJFWSA-N 329.404 1.966 0 40 EDAB Cc1nc2n(n1)CCN(C(=O)c1cccc(CN3CCCC3)c1)C2 72311766 IIFWMLOANKPTMP-UHFFFAOYSA-N 325.416 1.838 0 40 EDAB CCCn1cc(CN[C@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)cn1 72300635 DWDLYOSYWUEYMU-HOCLYGCPSA-N 342.509 1.831 0 40 EDAB Cc1noc(Cl)c1CCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 72300458 NBXQWYBQVRDMGN-RISCZKNCSA-N 341.839 1.748 0 40 EDAB Cc1noc(CN2CCN(C[C@@H](O)c3cccc(Cl)c3)CC2)n1 75750974 BSCORZSUQWNVSF-OAHLLOKOSA-N 336.823 1.883 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)c2ccc(Br)s2)cn1 76092229 WIBUUIKVKUMTFG-GFCCVEGCSA-N 344.234 1.882 0 40 EDAB NS(=O)(=O)CCCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 76019484 OLOBBXMBXFKKMF-RKDXNWHRSA-N 334.800 1.377 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCN(C(N)=O)C2)cc1Br 76094108 GSFZAWLYTBEKTM-SNVBAGLBSA-N 326.194 1.640 0 40 EDAB C[C@@H]1CN(Cc2cccc(OCC(N)=O)c2)CCN1c1nccs1 95351861 POQNKGYIBBMLAV-CYBMUJFWSA-N 346.456 1.718 0 40 EDAB O=C1OCc2cc(NC(=O)[C@H](c3ccccc3)n3cnnn3)ccc21 95474427 PKJAEKXZZVKGOA-HNNXBMFYSA-N 335.323 1.572 0 40 EDAB COc1ccnc(N2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)n1 95450215 ZBSLWINMBNLDGY-UHFFFAOYSA-N 348.428 1.215 0 40 EDAB O=C(NCCc1nnc2n1CCC2)c1ccc(Br)cc1 78389544 KORLWSZNNWBFBQ-UHFFFAOYSA-N 335.205 1.959 0 40 EDAB CCCc1noc(CCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1 78789549 GZBYDQQWTGMZGC-UONOGXRCSA-N 336.436 1.012 0 40 EDAB CN1CCN(Cc2cccc(C(=O)N3CCc4[nH]ncc4C3)c2)CC1 78965316 CWEACAQTYJFYSR-UHFFFAOYSA-N 339.443 1.356 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(N[C@@H]3CCN(C)C3=O)cc2)C[C@@H](C)O1 75093254 HMTNPBSAUGBZHI-XJKCOSOUSA-N 331.416 1.579 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)Nc2cc(F)ccc2F)CC1 20017579 XVKHSXYSYRKSPS-UHFFFAOYSA-N 332.372 1.965 0 40 EDAB COc1ccc(CN2C(=O)CO[C@H]3CN(C4CCOCC4)C[C@H]32)cc1 67897228 NZHKGZHROBGEJH-MSOLQXFVSA-N 346.427 1.286 0 40 EDAB biogenic,in-vitro Cc1nc(CN2CCOC[C@]3(CC[C@@H](Cn4cncn4)O3)C2)cs1 306125977 DHYBGLRXBNKXML-HOTGVXAUSA-N 349.460 1.493 0 40 EDAB COC(=O)c1ccccc1NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409380122 INEMEMNCWLIEPZ-HPTBWKMGSA-N 331.324 1.456 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)O)c1 548208204 RUSISAXBINRFIG-CQSZACIVSA-N 348.424 1.920 0 40 EDAB Cn1nc(NC(=O)c2cnccn2)c2c1NC(=O)C[C@H]2c1ccco1 38905687 SJOUZOABEZXYLM-VIFPVBQESA-N 338.327 1.530 0 40 EDAB O=C(NCC[C@@H]1CCCC1(F)F)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1552968641 JGNFUHLTCGDHKH-MJVIPROJSA-N 332.347 1.555 0 40 EDAB Cn1cc(C(=O)N2CCC[C@@H](c3cccc(CCC(N)=O)n3)C2)cn1 72360536 XOPDERIAEQMVGG-CYBMUJFWSA-N 341.415 1.253 0 40 EDAB COCCN1CCC[C@@H](c2nc(C)cc(CCC(=O)N(C)C)n2)C1 72366991 LPWABOUURLUOSK-OAHLLOKOSA-N 334.464 1.632 0 40 EDAB C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc2c(c1)N(C)CC2 186750986 FTTGVXXOIZLHKR-AWEZNQCLSA-N 346.475 1.988 0 40 EDAB C[C@H](CCS(C)(=O)=O)NC(=O)N1CCC(c2ccn[nH]2)CC1 181139579 HXPFSSHLFLIFOD-LLVKDONJSA-N 328.438 1.122 0 40 EDAB COc1cc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)ncn1 185991887 OYADKFQBRCPAAL-UHFFFAOYSA-N 340.309 1.621 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@@](O)(c1ccccc1)C1CC1 70967607 KHNAVUGJQNADHI-MRXNPFEDSA-N 336.413 1.868 0 40 EDAB CN1CCN(CCCSc2nnc(-c3ccccn3)n2C)CC1 131066906 ICORJWQZRAKWIP-UHFFFAOYSA-N 332.477 1.607 0 40 EDAB CCOc1ccc(N2Cc3nc(N4CCOCC4)ncc3C2=O)cc1 41122947 MAXLPVCJDLXJLA-UHFFFAOYSA-N 340.383 1.872 0 40 EDAB NC(=O)Cn1cc(NC(=O)CSc2nc3ccccc3s2)cn1 47234990 MIVODSYPJPQMDJ-UHFFFAOYSA-N 347.425 1.709 0 40 EDAB Oc1cccc(CN2CCN(C(=S)NC[C@H]3CCCO3)CC2)c1 225221960 KNDOXHPAHOMWCS-MRXNPFEDSA-N 335.473 1.563 0 40 EDAB COC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C1CC1 84822224 VXBWZIXIHBCESH-NSHDSACASA-N 327.178 1.916 0 40 EDAB CC(=O)Nc1nc(CN2CCN(C)CC2)c(-c2ccccc2)n1C 199430418 BEEQSOMEQOWYJU-UHFFFAOYSA-N 327.432 1.793 0 40 EDAB Cc1ccc(N2CC[C@H](N3CCC[C@@H](N4CCNC4=O)C3)C2=O)cc1 195530835 JYFICQJRGYZWGS-SJORKVTESA-N 342.443 1.590 0 40 EDAB O=C(N[C@H]1CCN(CC(F)(F)F)C1)N[C@@H]1CCO[C@@H](C2CC2)C1 195564849 SOLJGXVDTNPCMA-FRRDWIJNSA-N 335.370 1.880 0 40 EDAB CCCc1nc(C(N)=O)nn1CC(=O)N1CCC[C@H](C(F)(F)F)C1 331245766 SGSGJRSSVBSDIO-VIFPVBQESA-N 347.341 1.130 0 40 EDAB C[C@H]1CN(c2cc(NC3CC3)ncn2)CCN1C(=O)c1cnn(C)c1 575603608 KMKLGKVOGYREJM-LBPRGKRZSA-N 341.419 1.135 0 40 EDAB CN(C)C(=O)COC[C@@H]1c2c(ncn2C)CCN1Cc1cccs1 96187715 CLFBKCAQOVQKBR-OAHLLOKOSA-N 348.472 1.686 0 40 EDAB Cn1cc(CN2CCOC[C@@]3(CCN(Cc4ccco4)C3)C2)cn1 96202122 DOUOAPKCWLHFMH-GOSISDBHSA-N 330.432 1.738 0 40 EDAB Cc1occc1C(=O)N1C[C@@H]2CN(Cc3cnn(C)c3)CCO[C@@H]2C1 96108105 GPVKYKLDBRQATA-DOTOQJQBSA-N 344.415 1.295 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(Cc1ccccn1)CC2 96061527 CQYMAERAISIXQP-QGZVFWFLSA-N 339.443 1.796 0 40 EDAB C[C@@H]1[C@@H](NC(=O)c2ccc3nn[nH]c3n2)CCN1Cc1ccccc1 582673468 HQHFMJGTOWFWKQ-OCCSQVGLSA-N 336.399 1.746 0 40 EDAB NCCNC(=O)Cn1nnc(-c2cccc(Oc3ccccc3)c2)n1 90609873 AIUUDYDKDPTPDS-UHFFFAOYSA-N 338.371 1.207 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(CC3CCOCC3)C[C@H]2O1 96043077 VBAFLGSXVSUPCG-RYQLBKOJSA-N 345.443 1.926 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCn2c(Cn3cncn3)cnc2C1 96201142 QDPVAQDYFGDYNH-UHFFFAOYSA-N 340.362 1.247 0 40 EDAB CCc1nnc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)s1 96344803 KLKPPNIJRFDXRB-SNVBAGLBSA-N 345.384 1.180 0 40 EDAB O=C([C@H]1CN(Cc2cccnc2)CC12CCOCC2)N1CCOCC1 96052223 SUUDRIOWAKLZBP-QGZVFWFLSA-N 345.443 1.169 0 40 EDAB O=C(NCc1ccco1)[C@@H]1C[C@H]2OCC[C@H]2N(c2ncccn2)C1 97953417 YYZREHOUVNROIC-BPLDGKMQSA-N 328.372 1.370 0 40 EDAB O=C(c1ccncc1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 96066945 LNCJMBDDEZJCMX-OAHLLOKOSA-N 325.416 1.646 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](O[C@@H](O)CN1CCN(CCO)CC1)C2 230256838 UNIVYCDNGGXPIN-LHHMISFZSA-N 326.481 1.146 0 40 EDAB O=C(NCc1cnn2ccccc12)N1CCC[C@H]1Cn1ccnn1 580232390 ZOIUJOBRTFFUAS-AWEZNQCLSA-N 325.376 1.300 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](N(C)Cc2ccco2)C1 96057156 IAEUDYFESRYZCD-IMJJTQAJSA-N 342.461 1.541 0 40 EDAB CO[C@@H]1CCN(C(=O)N2CCCC2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96108596 IONWGHRYYKFPNW-RCCFBDPRSA-N 344.459 1.819 0 40 EDAB COC(=O)c1ccc(=O)n(Cc2cc(F)cc(Br)c2)n1 96452638 FVSSOIDFLUQJSX-UHFFFAOYSA-N 341.136 1.980 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CN(C2CCOCC2)Cc2ccnn21 247505491 RGGKCTSLUNYFFU-KRWDZBQOSA-N 341.415 1.130 0 40 EDAB N[C@]1(CO)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 242425593 BQBRZHSUXSBZFO-BRWVUGGUSA-N 347.392 1.045 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 257262020 LJRNTPCLDCZSOQ-CQSZACIVSA-N 347.346 1.609 0 40 EDAB COCCN1CCC(Cc2cnc(N3C[C@H](C)OC3=O)cn2)CC1 257229087 FWQKGZSMCGHALH-ZDUSSCGKSA-N 334.420 1.723 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)s1 257226723 FLVXOUUZJGAYGH-HOTGVXAUSA-N 338.473 1.283 0 40 EDAB O=C(N[C@@H]1CC[C@H]2Oc3ccccc3N[C@H]2[C@@H]1O)c1ccccn1 257221535 DPMGFJZOJHDORU-BASLNEPJSA-N 325.368 1.576 0 40 EDAB O=C([C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCc2ccccc21 585122313 WOYAWJIADWWESF-WDEREUQCSA-N 333.331 1.799 0 40 EDAB COC(=O)C1(CS(=O)(=O)Oc2ccc(OC)cc2)CCOCC1 585115096 MKONSJHWKSXINT-UHFFFAOYSA-N 344.385 1.374 0 40 EDAB O=C(/C=C/c1cccnc1)N1CCc2nc3ccccn3c(=O)c2C1 252507434 WLPSJSZOALJWGM-VOTSOKGWSA-N 332.363 1.688 0 40 EDAB COC[C@@H](NC(=O)N1CCO[C@@H](c2cnn(C)c2)C1)c1ccc(C)o1 267648489 VTVGBYMUWQAZHM-GDBMZVCRSA-N 348.403 1.792 0 40 EDAB COC[C@]1(C(=O)O)CCCN1C(=O)c1ccc([S@@](C)=O)cc1 591653037 WYRGCVGZCCDSTE-OYHNWAKOSA-N 325.386 1.130 0 40 EDAB CC(C)n1cc(S(=O)(=O)N2C[C@@H](C)C(=O)Nc3ccncc32)cn1 1615589793 KSIJWRAVRCGARR-LLVKDONJSA-N 349.416 1.643 0 40 EDAB CCc1nc([C@H](C)NC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)cs1 292353471 QWVQYHCFQFLDMJ-WDEREUQCSA-N 345.490 1.843 0 40 EDAB Cc1ccc(NS(=O)(=O)c2cnn(C)c2)cc1N1CCCC1=O 96103525 WWCGUYSXOWHFJY-UHFFFAOYSA-N 334.401 1.656 0 40 EDAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 575425119 XRLGQBBFQHSKPT-OAHLLOKOSA-N 345.486 1.891 0 40 EDAB CNC(=O)C1=NO[C@]2(CCCN(c3cc(C(F)(F)F)ncn3)C2)C1 585101288 VDLZUIHTAYEHAP-CYBMUJFWSA-N 343.309 1.357 0 40 EDAB O=C(/C=C/c1cnc[nH]1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585291262 OBNPZEACWUCJRH-HFHBSVTDSA-N 327.384 1.900 0 40 EDAB CN1CCC(C(=O)N2CC[C@H](O)[C@H](Cc3ccc(F)cc3)C2)CC1 585269227 MCYKMOZFDOEYEV-AEFFLSMTSA-N 334.435 1.919 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccc(C)cc1)[C@@H]2C 585097049 GXWLZJFCZFAIDY-CYBMUJFWSA-N 330.388 1.715 0 40 EDAB COC(=O)c1ncoc1COCC(=O)N1CC[C@@]2(C)[C@H](C1)C2(F)F 599964924 QVJYBHYEYOLGJB-HZMBPMFUSA-N 344.314 1.482 0 40 EDAB O=C(Cn1cc(Nc2nccc(C(F)(F)F)n2)cn1)NC1CC1 52487557 JEDWIPMJCINKET-UHFFFAOYSA-N 326.282 1.714 0 40 EDAB Cc1nsc(N[C@H]2CCCCCN(C(=O)[C@H]3CCNC3=O)C2)n1 1049943913 KQDJCPHTRJTGHK-RYUDHWBXSA-N 337.449 1.166 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2ccccc2)CC1 68634359 BTEDRJWIRSRIIU-HUUCEWRRSA-N 332.448 1.821 0 40 EDAB CN(CC(=O)NCc1cccc(C(=O)O)c1)C(=O)c1cccs1 95951294 CEPOIOYXHGXNBM-UHFFFAOYSA-N 332.381 1.835 0 40 EDAB CCOc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCN3CCOC[C@@H]13)CCO2 1615549305 MVSDAGYMGHANAB-OIISXLGYSA-N 346.427 1.746 0 40 EDAB CN(C)CCN(Cc1cccnc1)C(=O)N[C@@H]1CC12CCNCC2 1615557479 LFCVEJULVZPKEL-MRXNPFEDSA-N 331.464 1.297 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1N2 12089264 IJPBLNBWZZGNKO-GOSISDBHSA-N 339.399 1.516 0 40 EDAB CN1CCCc2cc(CCNC(=O)C(=O)Nc3ccon3)ccc21 13006774 PKJZLPRODNZZNZ-UHFFFAOYSA-N 328.372 1.354 0 40 EDAB CC(C)OCCCNC(=O)Cn1cnc2c([nH]c3ccccc32)c1=O 14001058 PNFOHUCOKYZDGK-UHFFFAOYSA-N 342.399 1.809 0 40 EDAB C[C@@H](OC(=O)c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccccc1 18821904 JJTYJRCIDABPMW-GFCCVEGCSA-N 342.351 1.735 0 40 EDAB COc1cccc(C(=O)N2CC[C@@H](C(=O)NC3CCN(C)CC3)C2)c1 19656933 CRPCIAOTNCHROK-OAHLLOKOSA-N 345.443 1.368 0 40 EDAB Cc1ccc2c(c1)cc(C(=O)N1CCO[C@@](C)(C(=O)N(C)C)C1)n2C 19746806 HWNYJBWHAQCDQB-LJQANCHMSA-N 343.427 1.806 0 40 EDAB Cn1c(=O)c2c(SCCN3CCCCC3)ccnc2n(C)c1=O 10217088 GJHUABJQTJEONK-UHFFFAOYSA-N 334.445 1.210 0 40 EDAB O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1ccnc(OC2CCCC2)c1 240122552 WCPVWHPFMGGNLE-ZDUSSCGKSA-N 329.400 1.896 0 40 EDAB Cc1nn(CCNS(=O)(=O)N(C)C)c(C)c1-c1ccsc1 575615493 PIXPFRBJODCBIP-UHFFFAOYSA-N 328.463 1.624 0 40 EDAB Cc1nc(CN(C)C2CN(S(=O)(=O)Cc3ccccc3)C2)no1 1888876346 KNMBXQBWILRIEK-UHFFFAOYSA-N 336.417 1.024 0 40 EDAB Cc1ccc(S(=O)(=O)NCC2(O)CSCCSC2)cc1C 1888876493 GYASYCJBBFJPEI-UHFFFAOYSA-N 347.527 1.793 0 40 EDAB Cc1nc2ccccn2c1C(=O)N1C[C@H]2CN(c3cnccn3)C[C@@H]2C1 1888897906 LVAKPZUIFACGFH-HUUCEWRRSA-N 348.410 1.641 0 40 EDAB Cc1cc(N2CCO[C@H]3CN(C(=O)c4cnc(C)nc4)C[C@@H]32)ccn1 2056224987 NWVKWVYTCCCMQC-IRXDYDNUSA-N 339.399 1.218 0 40 EDAB O=C([C@@H]1CCOC1)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 1565552964 FFZMOZPFGGFOEY-YUELXQCFSA-N 328.416 1.211 0 40 EDAB O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1ccccc1F 4941312 IDVCGFHXXUVCPK-LBPRGKRZSA-N 336.363 1.956 0 40 EDAB CCCNC(=O)Cn1nc(C)c2cnn(-c3ccc(F)cc3)c2c1=O 13970809 KVCBYSYLGKWPEL-UHFFFAOYSA-N 343.362 1.556 0 40 EDAB CCC(CC)CN1CCC(C(=O)NCCOC)(n2ccnc2)CC1 2055708269 YVXMUQCWOIWFLQ-UHFFFAOYSA-N 336.480 1.873 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCc3onc(C(=O)NCC4CC4)c3C2)no1 2055745693 UWYNEDNSYYSHIY-NSHDSACASA-N 344.371 1.398 0 40 EDAB O=C(Nc1cccnc1)[C@H]1CN(C(=O)C2CC2)CC12CCOCC2 2055796090 UPZHYAHBRDGCEV-OAHLLOKOSA-N 329.400 1.685 0 40 EDAB Cc1cncnc1N1CCN(c2ncc(Br)cn2)CC1 1775972990 ANQGLURBUQNLML-UHFFFAOYSA-N 335.209 1.664 0 40 EDAB O=C(Nc1cccnc1)[C@]1(F)CCN(Cc2n[nH]c3c2CCC3)C1 2086864689 BFYHARSSUOVIMN-KRWDZBQOSA-N 329.379 1.846 0 40 EDAB Cc1cc(S(=O)(=O)N2CC(N3C(=O)CSC3=O)C2)ccc1F 206955801 RPIAQIZXSCQKNU-UHFFFAOYSA-N 344.389 1.202 0 40 EDAB Cc1ccc2[nH]c3c(=O)n(CC(=O)NCc4cccnc4)cnc3c2c1 35423481 BGJZXMAMSPHENH-UHFFFAOYSA-N 347.378 1.898 0 40 EDAB CCn1cc(-c2noc(CNS(=O)(=O)Cc3ccccc3)n2)cn1 575414314 DZCYFOUBNFLUMC-UHFFFAOYSA-N 347.400 1.573 0 40 EDAB COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(N)=O)ccc1O 6641817 WZMLIZQVNWKMNA-BVGQSLNGSA-N 334.416 1.554 0 40 EDAB biogenic CCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(C)cc3)nnc12 10963548 FDJFPNPUBWSMEX-UHFFFAOYSA-N 338.371 1.456 0 40 EDAB CC(=O)c1ccc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(F)c1 40467937 YMCKZXXJOSVECS-LLVKDONJSA-N 345.417 1.424 0 40 EDAB CN(CC(=O)NCc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 45573201 RWUIKXZQQNVQRM-KRWDZBQOSA-N 346.452 1.575 0 40 EDAB COCCCNC(=O)CN1CCN(C(=O)c2cc(C)cc(C)c2)CC1 28975640 QDVQOAQDUYEWMW-UHFFFAOYSA-N 347.459 1.214 0 40 EDAB CCOC(=O)c1ccc(NCc2nc3c(N)nc(N)nc3[nH]2)cc1 1716545 AFXNBNUMZXUWLC-UHFFFAOYSA-N 327.348 1.306 0 40 EDAB CCOC(=O)C1(NC(=O)CN2C(=O)c3ccccc3C2=O)CCCC1 1719077 VIZINOHECHYIRM-UHFFFAOYSA-N 344.367 1.275 0 40 EDAB C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)nc1)S(C)(=O)=O 40540966 ITSZUCCRMAYQOM-ZETCQYMHSA-N 326.296 1.394 0 40 EDAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC[C@@H]1CCCO1 3007498 NGSKGHZLBPGYRP-NSHDSACASA-N 327.340 1.438 0 40 EDAB CCOC(=O)c1c(S(=O)(=O)Nc2cccc(F)c2)n[nH]c1C 40554711 PSIYARVNMCXSPU-UHFFFAOYSA-N 327.337 1.835 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1cnc2c(cnn2C(C)C)c1 40542867 FUQOOOJPVSTQKE-CQSZACIVSA-N 331.420 1.903 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1F 51161332 MIIWZIZFTPJWAP-LBPRGKRZSA-N 340.420 1.813 0 40 EDAB CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc2c(c1)OCO2 4279672 QCYFMHFFTPGYOH-STQMWFEESA-N 348.384 1.637 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)CC2)on1 45897175 SPLQVHZZBOYMMI-OAHLLOKOSA-N 348.447 1.132 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649494 NODWSPSDMANELZ-FZMZJTMJSA-N 343.383 1.775 0 40 EDAB O=C(NCc1ccco1)[C@H]1[C@H]2C=C[C@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 6759690 DXIBGXRLIIIXPI-PASDCYSWSA-N 342.395 1.620 0 40 EDAB O=C(c1cnccn1)N1CCC[C@]2(CCN(Cc3ccncc3)C2)C1 8582248 QMHQFNYVRGXBAU-LJQANCHMSA-N 337.427 2.000 0 40 EDAB NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 46303741 HFNZSZLIEJFEBR-UHFFFAOYSA-N 334.353 1.213 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)CN2CCc3ccccc32)C1 16336621 VGFZKNNVTAATHO-QGZVFWFLSA-N 331.460 1.522 0 40 EDAB Cc1cccc(NC(=O)[C@@H](C)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 16378958 NQTPKLLOBHDNPN-NVXWUHKLSA-N 345.443 1.645 0 40 EDAB CCOC(=O)c1cnc(SCC(=O)N(C(C)C)C(C)C)nc1N 417993 LPTVYCVDWBYMFG-UHFFFAOYSA-N 340.449 1.973 0 40 EDAB COc1ccc(OC)c2c1CN(c1ncnc3c1cnn3C)C[C@@H]2O 22019993 YZRGISASXXDCQR-LBPRGKRZSA-N 341.371 1.434 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CCOc1cccc(F)c1 53186518 GVESPWSSYWKJEJ-LLVKDONJSA-N 334.399 1.731 0 40 EDAB COc1cccc(CC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c1 47635267 DYSGDIZWUYNTSA-AEFFLSMTSA-N 348.443 1.091 0 40 EDAB NC(=O)C1CCN(CCCNC(=O)NCc2ccccc2F)CC1 47699261 AGXPAKUYRUXGGK-UHFFFAOYSA-N 336.411 1.212 0 40 EDAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1N1CCCC1=O 20460070 QNANDFIKORCJEO-UHFFFAOYSA-N 338.429 1.997 0 40 EDAB O=C(NC1CCSCC1)[C@@H]1COCC(=O)N1Cc1ccccc1 89834798 BVWXWXZAZZWILG-HNNXBMFYSA-N 334.441 1.426 0 40 EDAB CC1(C)NC(=O)N(CC(=O)Nc2ccc(-n3cccn3)c(F)c2)C1=O 55716381 CXZHZWPCWPBRRP-UHFFFAOYSA-N 345.334 1.280 0 40 EDAB O=C(CN1CCc2sccc2C1)N1CCN([C@H]2CCC[C@H]2O)CC1 106909795 WTQVHJDKMXSHII-JKSUJKDBSA-N 349.500 1.164 0 40 EDAB O=C(Nc1cccc2c1OCCO2)c1cccnc1N1CCOCC1 55951457 JPJGERZTYXHQIL-UHFFFAOYSA-N 341.367 1.942 0 40 EDAB CC1(C)S[C@H]2[C@H](NC(=O)Nc3ccccc3)C(=O)N2[C@H]1C(=O)O 28249454 LSCPNHFIESJHDY-SCVCMEIPSA-N 335.385 1.324 0 40 EDAB C[C@@H](OC(=O)c1nccnc1N)C(=O)N1c2ccccc2CC[C@H]1C 43839577 XCCYKGNXSOUAOH-VXGBXAGGSA-N 340.383 1.972 0 40 EDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)C1=O 89914251 WZXUVDMZPNJBQG-FZKQIMNGSA-N 349.406 1.857 0 40 EDAB O=C(CNC(=O)NCc1ccco1)Nc1cccnc1-n1cccn1 56885268 ROOBEPQSKKTXQR-UHFFFAOYSA-N 340.343 1.298 0 40 EDAB CC[C@@H](O)CCNC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C 89943266 WUSIEUOGVRJCOR-CJNGLKHVSA-N 336.432 1.727 0 40 EDAB O=C(NC[C@@H](O)CN1CCCCC1)Nc1cccnc1-n1cccn1 48196885 NJUMSHALVWFBNH-CQSZACIVSA-N 344.419 1.236 0 40 EDAB O=C1CC[C@H](C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CN1 48158755 DCRFXKGECUXOPH-NSHDSACASA-N 341.864 1.572 0 40 EDAB COC(=O)CNC(=O)CSc1nnc2cc(C)c3ccccc3n12 3371084 GKHDQBUOKZAOGO-UHFFFAOYSA-N 344.396 1.572 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc2cc(Cl)ccc2[nH]1 44724534 PTBYIOUXPQXDMF-VIFPVBQESA-N 326.805 1.986 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)N1CCOCC1)c1ccccc1Cl 44896194 OYAMQISZSZMOHG-CQSZACIVSA-N 347.868 1.109 0 40 EDAB CC[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1nc2ccccc2[nH]1 67358953 HUJYCDCRQXDWFM-QWRGUYRKSA-N 336.417 1.500 0 40 EDAB CC(C)(C)OC(=O)NCC1CCN(CC(=O)NCC2CC2)CC1 58279674 SRQPAUGQJMJHCN-UHFFFAOYSA-N 325.453 1.749 0 40 EDAB O=C1CN(c2ccccc2)C(=O)N1Cc1nnnn1-c1ccccc1 44972205 NKGJIWSJARKWIG-UHFFFAOYSA-N 334.339 1.631 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)CCOc3ccccc32)cn1 44945315 UHNHOSHJTPEISH-UHFFFAOYSA-N 325.368 1.822 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](C)c1nncn1C 58393438 NRGKBTHUIGYMFC-VIFPVBQESA-N 329.389 1.528 0 40 EDAB CCOC(=O)N(C)CC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 58331747 TXRNAQOWZLFNDO-AWEZNQCLSA-N 349.431 1.726 0 40 EDAB COCCN1CCC(NC(=O)c2ccnc(-n3ccnc3)c2)CC1 58391411 ORAAGYJNVSIDMT-UHFFFAOYSA-N 329.404 1.108 0 40 EDAB CC1(C)Cc2c(sc3nc(N4CCNCC4)n4ncnc4c23)CO1 2216939 XGXRMDSUCPRTGW-UHFFFAOYSA-N 344.444 1.600 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 16728879 GBXPXAWBOLXXOU-JTQLQIEISA-N 336.335 1.749 0 40 EDAB COc1ccc2cc(CNC(=O)[C@H]3CCS(=O)(=O)C3)ccc2c1 12904366 YPONEIJUXSXPGP-HNNXBMFYSA-N 333.409 1.899 0 40 EDAB CCOC(=O)C1=C(CN(C)Cc2ccc(F)cc2)NC(=O)N[C@@H]1C 13061908 ZPEBAUIVKRSYMD-LLVKDONJSA-N 335.379 1.776 0 40 EDAB CCCCN(CCO)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 70947872 CHQLTIDYLXFXGA-AWEZNQCLSA-N 333.432 1.845 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3csc(C4CC4)n3)CC2)n1 69348524 IWSZRKASZONHOB-UHFFFAOYSA-N 345.428 1.782 0 40 EDAB CCn1cc(NS(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)cn1 69393763 GANHLXRTIDMMDK-UHFFFAOYSA-N 343.336 1.306 0 40 EDAB CCc1ccc(-c2n[nH]c(SCC(=O)N3CCOCC3)n2)cc1 13683695 KYHSWTIDUQLXFG-UHFFFAOYSA-N 332.429 1.985 0 40 EDAB C[C@@H](c1ccc(NC(=O)CNC(=O)C2CC2)cc1)N1CCOCC1 69452389 YXNHDXYUFWNJBR-ZDUSSCGKSA-N 331.416 1.545 0 40 EDAB COCCN(C)C[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1F 69530008 VGSGMMXMIQFSCO-HNNXBMFYSA-N 344.452 1.698 0 40 EDAB COc1cc(CN(C)C(=O)NCCCN2CCCC2=O)ccc1O 69517762 NWCPCMUYMSUUQG-UHFFFAOYSA-N 335.404 1.555 0 40 EDAB COc1ccc(Cl)cc1NCCC(=O)N1CCC[C@@H](C(N)=O)C1 69513594 PZSOZOQGFXEERX-LLVKDONJSA-N 339.823 1.875 0 40 EDAB Cc1cccc(N2C[C@@H](C(=O)NCCN(C)C3CC3)CC2=O)c1C 65574899 JZFNXXBVTKJRNG-HNNXBMFYSA-N 329.444 1.867 0 40 EDAB COc1ccc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cn1 65562773 UULMTFPGHQKMHX-UHFFFAOYSA-N 333.373 1.481 0 40 EDAB Cc1cn2nc(N3CCC(NC(=O)c4cccnc4)CC3)sc2n1 65523486 ATEKMESCJACOSY-UHFFFAOYSA-N 342.428 1.893 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 65564761 MYQOOJXLAFLZDR-JQHSSLGASA-N 332.444 1.961 0 40 EDAB CCOC(=O)C(NC(=O)[C@@H]1C[C@@H]1c1cccc(C)c1)C(=O)OCC 65565280 OVAQWZWLVJCMQP-ZIAGYGMSSA-N 333.384 1.710 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CN[C@@H](C)Cn2cc(C)cn2)c1 69527602 JMUIKYHUUHAJNC-ZDUSSCGKSA-N 329.383 1.793 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)Nc2ccnn2CCc2ccccc2)C1 69559797 CCEGETQDRMCCJE-OAHLLOKOSA-N 341.415 1.855 0 40 EDAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCN(c2ncccn2)CC1 14181792 LXZOQRAPHKSQOV-HNNXBMFYSA-N 344.802 1.782 0 40 EDAB Nc1nc(SCC(=O)N2CCS[C@@H]2c2ccccc2F)n[nH]1 8538395 HEZIAKHTENSHCL-LLVKDONJSA-N 339.421 1.892 0 40 EDAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1ccc(F)cc1 4512376 YBHZCCDSCAEROQ-YUNNIWFXSA-N 333.315 1.505 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(CC[S@@](=O)c2ccccc2)CC1 69630084 UQOWGLSLEBCAKO-SBUREZEXSA-N 338.517 1.819 0 40 EDAB Cc1cc(CS(=O)(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)no1 69620894 SRLLGORBBFFIGJ-CMPLNLGQSA-N 329.422 1.192 0 40 EDAB COc1ccccc1NC(=O)C(=O)N1CCC[C@H](NC(=O)C(C)C)C1 69618075 ZFCSYKPOCSDSMV-ZDUSSCGKSA-N 347.415 1.397 0 40 EDAB COc1ccc([C@@H]2CCCN2Cc2nc(N)nc(N)n2)c(OC)c1 6590415 ARMLYMXUHJOEQR-LBPRGKRZSA-N 330.392 1.390 0 40 EDAB COC(=O)C1CCN(C(=O)Cn2nc(C)nc2-c2ccccc2)CC1 66081360 MBHLZYDYQMQBGH-UHFFFAOYSA-N 342.399 1.665 0 40 EDAB CC(=O)N1CCC(CN2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 69739219 MSFDLLNHXBYFGN-HXUWFJFHSA-N 345.487 1.596 0 40 EDAB CNC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1cccs1 66587479 HZRIGGPCDHAJAF-UHFFFAOYSA-N 328.390 1.829 0 40 EDAB O=C(c1ccccc1-n1cnnn1)N1CCC[C@H](N2CCCC2)C1 69892792 KBVIWJBUOIAAOY-AWEZNQCLSA-N 326.404 1.363 0 40 EDAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(S(C)(=O)=O)CC2 6938455 LTTWXDLWHAZEPX-NSHDSACASA-N 329.374 1.037 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)NCc1ccccc1F 69920009 ZVFXIBHMNQFTLH-AWEZNQCLSA-N 331.395 1.446 0 40 EDAB O=C(N[C@H]1C[C@H]1c1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 67511665 JVUNMFAWSWIITL-GJZGRUSLSA-N 343.408 1.156 0 40 EDAB Cn1c(=O)c2c(ncn2CCNc2ccc(Cl)cc2)n(C)c1=O 8719851 SQOKXTULGCTKMG-UHFFFAOYSA-N 333.779 1.199 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ncccc12 67732558 BVAIARXFISKRBT-GFCCVEGCSA-N 332.429 1.993 0 40 EDAB CCCCN(CCO)C[C@H](O)COCc1ccc2c(c1)OCO2 68045829 VOSICYMIPDIUST-HNNXBMFYSA-N 325.405 1.387 0 40 EDAB O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1cccc2c1OCCO2 68102847 QYPXSQAHJJVRIT-CYBMUJFWSA-N 348.424 1.499 0 40 EDAB CCN(C[C@H]1CCCO1)C(=O)c1ccc(=O)n(-c2ccccc2)n1 68243649 BOCSXNZROVKEKI-OAHLLOKOSA-N 327.384 1.874 0 40 EDAB COc1cccc(N2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)CC2)c1 71281918 UKHHLUUHDSTQKA-GJZGRUSLSA-N 332.400 1.701 0 40 EDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2F)n1 9184132 FXEYXOJPGLKZPK-UHFFFAOYSA-N 329.740 1.925 0 40 EDAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(c2ncnc3[nH]cnc23)C1 71904583 AKPKJBIWZDTOEJ-GFCCVEGCSA-N 341.350 1.892 0 40 EDAB CCCCn1nc(C(=O)N(CCO)CCc2ccccc2)ccc1=O 71903221 DTRQHDAXDXWTDK-UHFFFAOYSA-N 343.427 1.721 0 40 EDAB CCN(CC)C(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)C1 89967681 MKILXYKLGCQCKX-QWHCGFSZSA-N 341.452 1.776 0 40 EDAB Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3cnccn3)CC2)c1 71793468 XBXUUDHIIWDLBX-HNNXBMFYSA-N 326.400 1.901 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)CCOCC(F)(F)F)C2)no1 71870536 BDCJGIMQUWSXCK-GFCCVEGCSA-N 336.358 1.853 0 40 EDAB Cc1[nH]nc(C(=O)N2CCN3CCCC[C@@H]3C2)c1Br 71839715 OGDSNWUGTYHTLT-SNVBAGLBSA-N 327.226 1.791 0 40 EDAB Cc1ccc(NC2CCN(C(=O)[C@H]3C[C@H]3c3cnn(C)c3)CC2)nn1 71863570 SUPHZPPYQXKFII-HOTGVXAUSA-N 340.431 1.725 0 40 EDAB COC(=O)[C@@H](O)C1CCN(C(=O)c2sc(C(C)C)nc2C)CC1 84062069 ROFSNCZXHHGVHT-LBPRGKRZSA-N 340.445 1.961 0 40 EDAB NC(=O)c1ccc(=O)n(Cc2ccccc2OCC(F)(F)F)n1 76065342 KJYKGSVTIFFDAW-UHFFFAOYSA-N 327.262 1.332 0 40 EDAB CCO[C@H](C)c1noc(CCC(=O)N[C@H]2CCc3nc(C)cn3C2)n1 72298547 PQFOONBZMMICAK-OLZOCXBDSA-N 347.419 1.736 0 40 EDAB CC(C)c1ccc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c(O)c1 78244322 USMHTOTWXJWCMN-UHFFFAOYSA-N 342.399 1.738 0 40 EDAB O=C(CCn1cncn1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 97047592 PJAJAOBIKKRONE-NSHDSACASA-N 337.786 1.856 0 40 EDAB CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)CC1CCCCC1 97163903 VNVVYSMTMNNEOD-UHFFFAOYSA-N 345.553 1.854 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 78889462 KEWJOUJJRQRDPS-CQSZACIVSA-N 329.404 1.856 0 40 EDAB O=C1NCCN(CC(=O)N2CCc3ccccc32)[C@@H]1c1cccs1 78950453 QIXILMFZQHASEE-QGZVFWFLSA-N 341.436 1.810 0 40 EDAB CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2nc(CC(C)C)no2)C1=O 95439428 GVZMLADGODAPNA-INIZCTEOSA-N 346.391 1.359 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1CC(=O)c2ccccc21 95467875 CWNKGUHLCPULFV-HNNXBMFYSA-N 333.347 1.840 0 40 EDAB Cn1cc(C(N)=O)c(NCC(=O)Nc2ccc(Cl)cc2Cl)n1 95460346 GNHLQMNRCPUEII-UHFFFAOYSA-N 342.186 1.876 0 40 EDAB CC1(C)CN(C(=O)c2cccc(N3CCCC3=O)c2)CC[S@]1=O 88205567 ZPJMGVFJKPPKEI-QHCPKHFHSA-N 334.441 1.797 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cnc(CC(C)C)s2)C1 95999504 OWAPPCSNOKXWID-ZDUSSCGKSA-N 331.507 1.855 0 40 EDAB CC(C)N1CCC[C@@H](N2CCN(C(=O)c3cccnc3)CC2)C1=O 95963800 OOFYDJQOQJZIDV-MRXNPFEDSA-N 330.432 1.239 0 40 EDAB CN(C)CCNS(=O)(=O)c1cc(F)ccc1Br 89314347 FXODJYFBBWPPTP-UHFFFAOYSA-N 325.203 1.428 0 40 EDAB CN(CC(F)(F)F)C(=O)N1CCC(O)(C(C)(C)C(=O)O)CC1 554539231 AGZFEPXIGGMWKV-UHFFFAOYSA-N 326.315 1.538 0 40 EDAB N[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](N)C(=O)O 64219217 HFJZGKNPUGRWBV-CVEARBPZSA-N 326.352 1.081 0 40 EDAB CNS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)O)c1 217537286 GWYWAQXXGCMEJO-UHFFFAOYSA-N 330.406 1.520 0 40 EDAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218523127 RSPXKHMQBUSDDP-BQFCYCMXSA-N 345.420 1.964 0 40 EDAB Cn1nccc1[C@@H]1CCCN(C(=O)Cn2nnc3c2CCCC3)C1 515309343 DALQGTMFWYZORV-CYBMUJFWSA-N 328.420 1.297 0 40 EDAB Cc1cc(C(=O)NCCN2CCN(c3ccccc3F)CC2)no1 38590542 CVGCGBABXGZKTN-UHFFFAOYSA-N 332.379 1.674 0 40 EDAB CCCCNC(=O)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35314195 JXMUIRHZUZTCRT-UHFFFAOYSA-N 342.447 1.746 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1F)c1ccccc1 70639759 YNDFWJHIKCZNQJ-QGZVFWFLSA-N 334.322 1.927 0 40 EDAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2C(=O)CN)n1 72360897 SSQMAYNQDKKQIG-LBPRGKRZSA-N 332.433 1.916 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCCc2cccnc2)C1 78926174 UKJZSJQIUGYAAK-CQSZACIVSA-N 334.420 1.933 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)N[C@H]2CCN(CC3CCCC3)C2)cn1 76205930 WKRUEEOSSODQJA-WMZOPIPTSA-N 349.479 1.191 0 40 EDAB CCOC(=O)CCCNC(=O)CNC(=O)c1cc(F)cc(F)c1 79075667 WTUVIHTZJNHJHK-UHFFFAOYSA-N 328.315 1.154 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2)C1 78602872 NKTMVQCKWKSDAJ-CQSZACIVSA-N 339.823 1.506 0 40 EDAB O=C(O)COc1cccc(C(=O)N2CCOC[C@H]2[C@H]2CCCO2)c1 567592356 WGDGXXFCRZVMAN-LSDHHAIUSA-N 335.356 1.170 0 40 EDAB NC(=O)[C@@H]1CCCN(c2ncccc2CNC(=O)C(F)(F)Cl)C1 195570575 FCKHISHYDDXXHQ-SNVBAGLBSA-N 346.765 1.231 0 40 EDAB CCN1C[C@H]2[C@@H](C1)N(Cc1ccccn1)CC[C@H]2OCC(=O)N(C)C 96217263 GNHIQRARWOMAQE-RCCFBDPRSA-N 346.475 1.081 0 40 EDAB Cn1ccc(C(=O)N2CCOC[C@H]2c2nccc(NCC3CC3)n2)n1 96219390 SNGSBNZSNSJLRG-AWEZNQCLSA-N 342.403 1.246 0 40 EDAB O=C(NCc1ccccc1)[C@H]1C[C@@H]2CN(c3ncc(F)cn3)C[C@H]1O2 96253435 IQRFDSUYQPBSCR-OWCLPIDISA-N 342.374 1.526 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NC2(C)CCC2)CC1 97234770 RPHAWMDEUVKUHK-UHFFFAOYSA-N 326.466 1.712 0 40 EDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3CCCC3)C2=O)cc1 96221103 PNVDKNSSBDOKNU-HNNXBMFYSA-N 345.399 1.171 0 40 EDAB biogenic O=C1C[C@H](c2cccnc2)C2(CCN(C(=O)c3ccnnc3)CC2)N1 96199724 QESIHUYQAVNAKN-OAHLLOKOSA-N 337.383 1.150 0 40 EDAB O=C(c1ccco1)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 96202314 NPVNBYPULDLABJ-KRWDZBQOSA-N 328.372 1.439 0 40 EDAB CCn1cnnc1CNC(=O)c1cc(Br)ccc1O 48261650 COXFUJSKVUQPAP-UHFFFAOYSA-N 325.166 1.696 0 40 EDAB NC(=O)[C@H]1CN(c2ccc3cccc(Br)c3n2)CCO1 96461882 DTWUGXVZGOPBQB-LLVKDONJSA-N 336.189 1.688 0 40 EDAB O=C(c1ccncc1)N1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 96226340 LGKQSFQLUPGENP-LJQANCHMSA-N 338.411 1.988 0 40 EDAB Cc1cccc(C(=O)N2CCn3c(CNC(=O)C4CC4)cnc3C2)n1 96061935 FCKWCJFRWHGCIO-UHFFFAOYSA-N 339.399 1.269 0 40 EDAB O=C(O)[C@@H]1CCCN1S(=O)(=O)NCCCc1ccc(Cl)cc1 579227269 YTOCPEKMWLHHAW-ZDUSSCGKSA-N 346.836 1.656 0 40 EDAB Cc1nnc(N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)s1 97953544 NOYMJLFHXAKCFD-UPJWGTAASA-N 338.433 1.099 0 40 EDAB CO[C@H]1CCN(Cc2cnn(C)c2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96109459 IGLXPIPNUNXQAD-OTWHNJEPSA-N 341.459 1.536 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)CO[C@@H](COCC1CCOCC1)C2 96106074 ZPTFHKBOULCPSB-OAHLLOKOSA-N 347.477 1.260 0 40 EDAB O[C@@]1(c2cnn[nH]2)CCCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 583617905 IKYYUVNYNRNJPN-KRWDZBQOSA-N 342.378 1.613 0 40 EDAB CN1CCO[C@@H](CN=c2cc[nH]cc2C(N)=O)[C@@H]1c1ccccc1 583617530 MRPFORIHPNHILQ-IRXDYDNUSA-N 326.400 1.086 0 40 EDAB CCn1nc(CC2CCN(C)CC2)nc1-c1ccn2nnnc2c1 96165819 OVICOIKLTHPMKM-UHFFFAOYSA-N 326.408 1.287 0 40 EDAB O=C(c1ccncn1)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 96042285 KKIPEJFANFPXHV-OFQRWUPVSA-N 326.356 1.323 0 40 EDAB O=C(CN1C(=O)C[C@]2(CCc3ccccc32)C1=O)NC1CCCC1 97237064 ASSUODFGNSLVHU-IBGZPJMESA-N 326.396 1.688 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@]2(CCN(C(=O)c3cccn3C)C2)C1 96219820 PPWZSWMCJIDPDY-RDTXWAMCSA-N 341.415 1.325 0 40 EDAB O=C(NC[C@H]1CCCO1)C1CCN(C(=O)Cc2ccccc2)CC1 244210212 VTTPLGZGFPGMQV-QGZVFWFLSA-N 330.428 1.763 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)S1 245289790 FEDAZIDKLDNUBQ-VHDGCEQUSA-N 330.457 1.821 0 40 EDAB CCOC[C@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@H]1S(C)(=O)=O 242701740 WNOZISMGSKYKKF-SCRDCRAPSA-N 331.434 1.645 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CCO1 257199968 ABMIKCRMEPAJIS-NSHDSACASA-N 326.347 1.784 0 40 EDAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(CC(N)=O)[C@@H]3C[C@H]21 257229797 FZMXELZXPBPSCD-NCZKRNLISA-N 332.400 1.569 0 40 EDAB O=C(c1n[nH]c2c1CCCC2)N1CCOC[C@@H]1CCc1cnccn1 257330040 XMNDFVGVPNTVAW-AWEZNQCLSA-N 341.415 1.552 0 40 EDAB CCOc1ccc(CCC2CCN(C(=O)[C@H]3C[C@H](O)CN3)CC2)cc1 252502868 UWAZDKKDGXQBRP-PKOBYXMFSA-N 346.471 1.979 0 40 EDAB CNC(=O)c1cc(C[C@H]2CCCN(c3ccccn3)C2)nc(C)n1 257293370 QPEOZFNKDGFFTK-CQSZACIVSA-N 325.416 1.999 0 40 EDAB COC(=O)N[C@H](C(=O)N[C@@H](C)c1nc(C(F)(F)F)no1)C(C)C 585123783 NSEVOIICHZJQGX-BQBZGAKWSA-N 338.286 1.646 0 40 EDAB CC[C@@H](CS(=O)(=O)Nc1nnn(-c2ccc(F)cc2)c1C)OC 585129240 CKTLFGOWRPAHJI-ZDUSSCGKSA-N 342.396 1.882 0 40 EDAB Cc1cccnc1N(C)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 253420445 JQIAYHUBPQIPLM-IAGOWNOFSA-N 339.395 1.951 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)ncn1 257319302 VRUFPAGQGAJACT-MRXNPFEDSA-N 343.431 1.528 0 40 EDAB Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O 257212248 CCNCSQGMMITHDU-QWFCFKBJSA-N 346.471 1.658 0 40 EDAB O=C(Cc1ccccc1F)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257238394 HKURUJSXIBVKEC-HNNXBMFYSA-N 345.374 1.724 0 40 EDAB O=C1CO[C@@H]2CCN(C(=O)c3cc4cc(Cl)ccc4o3)C[C@@H]2N1 257304659 SMOMDYGYUBIDJW-WCQYABFASA-N 334.759 1.816 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCO[C@@H](CCc3ccncn3)C2)s1 257309842 UCPPQRUOKRPOSE-HNNXBMFYSA-N 346.456 1.953 0 40 EDAB CCCC[C@H](CC)CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 260841612 AYTRKIFBQOCUAW-GJZGRUSLSA-N 347.525 1.837 0 40 EDAB CC[C@@H](C)[C@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 263585550 JYMAHYMXWBVPRI-PXMRGAAZSA-N 345.443 1.345 0 40 EDAB biogenic Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)CC2(C(F)(F)F)CC2)cn1 589849905 PABGSMLVXHMKBD-RULNZOCKSA-N 349.378 1.785 0 40 EDAB COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)C1 593464889 IYVWRVVWACDCCD-KFWWJZLASA-N 333.388 1.506 0 40 EDAB C[C@H](c1nc(-c2ccccc2)no1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1616039482 YOGUKKCFTQBZBP-DKTYCGPESA-N 339.351 1.960 0 40 EDAB CCCS(=O)(=O)N1Cc2ccnn2[C@H](CN2CCCCC2)C1 575404752 DGUDONGQQZUUPF-OAHLLOKOSA-N 326.466 1.466 0 40 EDAB O=C(c1ccnc(F)c1)N1CC[C@H]2OCC[C@@]2(C(=O)NC2CC2)C1 585108371 AVEPUMRWSHDMIB-CXAGYDPISA-N 333.363 1.121 0 40 EDAB CO[C@@]1(CC(=O)N2CCc3ccccc32)COCCN(C(C)=O)C1 585280406 HVZDZSKHLZKJIG-GOSISDBHSA-N 332.400 1.230 0 40 EDAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CC(F)(F)C2)C1 585095701 DBIXLZWXGCABCO-ZDUSSCGKSA-N 340.374 1.680 0 40 EDAB O=C(CCCn1cncn1)N1CC[C@](O)(COc2cccc(F)c2)C1 585274036 YXPCTDSHIFGZJB-QGZVFWFLSA-N 348.378 1.240 0 40 EDAB O=C(COc1ccc(F)cc1)N1CC(F)(F)C[C@]2(CCNC2=O)C1 585093336 PRKSYTLTGISJLA-OAHLLOKOSA-N 342.317 1.578 0 40 EDAB O=S1(=O)CCC[C@H]1CN1CCN(c2ccnc(C3CC3)n2)CC1 585132579 AOQPWVUVIYWMCX-AWEZNQCLSA-N 336.461 1.053 0 40 EDAB Cc1ccccc1C1(CNC(=O)C2=NN(C)C(=O)CC2)CCOCC1 55760984 WGDUVGZGBPFUKG-UHFFFAOYSA-N 343.427 1.768 0 40 EDAB CC[C@@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccc(OC)cc1 65422911 SLARYJPSOIKFQF-CQSZACIVSA-N 331.376 1.650 0 40 EDAB COCCn1cc(NC(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cn1 65437429 ZEBNAGQKZTYCCY-IHRRRGAJSA-N 339.440 1.149 0 40 EDAB CC[C@H]1c2ccccc2CN1C(=O)NCc1nnc2n1CCNC2=O 896448315 HEFUWHGNTOFAMC-ZDUSSCGKSA-N 340.387 1.198 0 40 EDAB O=C(NC[C@@H]1CCC[C@H]1O)NCC1(N2CCOCC2)CCCCC1 73443559 JVUVWUXSNVIJPQ-JKSUJKDBSA-N 339.480 1.482 0 40 EDAB NS(=O)(=O)c1ccc(C[C@@H](SC(F)(F)F)C(=O)O)cc1 91252820 QQMUTPKFZXUVGZ-MRVPVSSYSA-N 329.321 1.583 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)[nH]n1 96005158 CUAGXSPLNNQYLH-AWEZNQCLSA-N 348.428 1.765 0 40 EDAB CCOCc1ccc(CNC(=O)CN2C[C@H](N)C3(CCC3)C2)cc1 1615059258 YIVOYOSKXCSWSX-KRWDZBQOSA-N 331.460 1.653 0 40 EDAB CCOc1ccc2c(c1)[C@@H](NC(=O)/C=C/C(=O)NC1CC1)CCO2 1615549019 IYVNSRCSDBEKOV-KIUWMYQTSA-N 330.384 1.860 0 40 EDAB COCCN1C(=O)CO[C@H]2CCN(Cc3csc(C)n3)CC[C@@H]21 1615526914 WHTFZBSUXUUQJV-GJZGRUSLSA-N 339.461 1.290 0 40 EDAB Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cncc(Cl)c2)cn1 1615621919 BGDQPWCATGIAKE-OCCSQVGLSA-N 333.779 1.218 0 40 EDAB Cc1ccc(-c2nnn(CCN3C(=O)c4ccccc4C3=O)n2)cc1 5036368 ISROSJYPTQKJGX-UHFFFAOYSA-N 333.351 1.945 0 40 EDAB Cc1cc2c(s1)c1cnn(CC(=O)N3CCCC3)c(=O)c1n2C 12113497 JCWKXLKLDFZGNU-UHFFFAOYSA-N 330.413 1.881 0 40 EDAB CCOC(=O)Nc1nc(CC(=O)Nc2ccc(C(N)=O)cc2)cs1 12881705 WVURNGCTRUSASO-UHFFFAOYSA-N 348.384 1.992 0 40 EDAB COc1ccc(C(=O)Nc2cnn(CC(=O)N3CCCC3)c2)cn1 19746148 HSWFQFJTIMUFMM-UHFFFAOYSA-N 329.360 1.161 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCO[C@](C)(C(=O)NC2CCCC2)C1 19746857 WGENBCMEZOGRSX-KRWDZBQOSA-N 334.420 1.018 0 40 EDAB O=C(NC1CCCC1)[C@H]1CCN(Cc2ccnc(N3CCCC3)n2)C1 19747766 GAPLGEIWAFQSEB-HNNXBMFYSA-N 343.475 1.958 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)no1 225602150 PIIFYFFILQCNAM-UHFFFAOYSA-N 343.387 1.114 0 40 EDAB O=c1c(Cl)c(-c2ccccc2)on1C[C@H](O)CN1CCOCC1 31424900 NINUODAOHUBAAQ-CYBMUJFWSA-N 338.791 1.455 0 40 EDAB NCC1CCN(S(=O)(=O)c2ccccc2Br)CC1 36296708 LWCMSPRFMWOENF-UHFFFAOYSA-N 333.251 1.809 0 40 EDAB O=C([C@H]1CN(c2cccc(C(F)(F)F)n2)CCO1)N1CCCC1 1889096405 XMLAQQINKCACQH-LLVKDONJSA-N 329.322 1.928 0 40 EDAB COc1cccc2sc(N3CCO[C@@H](C(=O)NC4CC4)C3)nc12 1889111312 FLYVGWONNAIJJC-GFCCVEGCSA-N 333.413 1.789 0 40 EDAB O=C(c1ccc(OC2CCCC2)nc1)N1CC(Cn2ccnn2)C1 1775985853 CLJAHPDVUVPTHS-UHFFFAOYSA-N 327.388 1.767 0 40 EDAB COCCN1CC=CCC2(CCN(Cc3cn(C)cn3)CC2)C1=O 2037846575 RKUCUIUOMRJDGU-UHFFFAOYSA-N 332.448 1.437 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 1565549860 HDEUYNNQBVEEPJ-FGKYSUEKSA-N 330.384 1.111 0 40 EDAB CN(C(=O)c1ccncc1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 1565520787 PIFYPILIHSLIRX-UHFFFAOYSA-N 349.398 1.358 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1C 1565522632 LWKZMEZESBWCAB-MRXNPFEDSA-N 338.473 1.789 0 40 EDAB COc1ccc(CCn2c(O)nc3ncccc3c2=O)cc1OC 9830971 VQGVCHOGGINWPD-UHFFFAOYSA-N 327.340 1.757 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@@H](O)c1ccc(-c2cccs2)o1 1775967218 IULZGPIXTJWBLX-SNVBAGLBSA-N 348.380 1.307 0 40 EDAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccno1 207996214 FDPHVFVGRYTMLS-LBPRGKRZSA-N 326.312 1.963 0 40 EDAB COc1ccc(CCNC(=O)N2CC[C@@H](Oc3ncccn3)C2)cc1 575611442 XQRSMZDJEPKXBQ-MRXNPFEDSA-N 342.399 1.891 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1 24472996 NVHKVUVIGZOVLM-AWEZNQCLSA-N 349.822 1.832 0 40 EDAB COCCNC(=O)NC(=O)COC(=O)c1cc(C)n(C(C)C)c1C 25051584 ZZUXJNONEBZPLY-UHFFFAOYSA-N 339.392 1.315 0 40 EDAB Cc1nncn1CCNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 78972000 PDAVGUFRMXYQEQ-ZDUSSCGKSA-N 347.444 1.459 0 40 EDAB CN1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)C2CC2)CC1 78944757 PZDGQUGRZORUNX-QGZVFWFLSA-N 327.428 1.518 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 25254573 XFLUHDAYLNLBMT-OAHLLOKOSA-N 348.359 1.803 0 40 EDAB CC(C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)O 4088173 LXBVBFJMDGMTLK-SLEUVZQESA-N 334.397 1.482 0 40 EDAB biogenic COC(=O)[C@@H](C)Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 7254622 WUANAFUMXZGHIV-MRVPVSSYSA-N 344.414 1.732 0 40 EDAB CC(C)NC(=O)CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2097868 ZDIALISDOWKRNU-UONOGXRCSA-N 331.416 1.099 0 40 EDAB biogenic C[C@H]1CN(Cc2nc(CC(=O)NCc3ccccc3)no2)CCO1 44917861 UUNZHOBRPFKALI-ZDUSSCGKSA-N 330.388 1.149 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NCCc2ccc(-n3cccn3)cc2)C1 27968458 SNWOAYLWDUXIJI-OAHLLOKOSA-N 348.472 1.981 0 40 EDAB Cc1cc(S(=O)(=O)N(C)c2ccccn2)ccc1-n1cnnn1 58405930 ONOCPNJXLBXIKA-UHFFFAOYSA-N 330.373 1.191 0 40 EDAB C[C@@H]1CCCc2sc3ncn4nc(C(=O)NCCO)nc4c3c21 2340865 XVXFQRKZRSMKAU-MRVPVSSYSA-N 331.401 1.501 0 40 EDAB O=C(CN1CSCC1=O)NCCOc1ccc2ccccc2c1 10994362 TXNCLYKXLQJVHI-UHFFFAOYSA-N 330.409 1.868 0 40 EDAB O=C(c1cc(O)nc2ccccc12)N1CCN(c2cnccn2)CC1 11544468 DFGIOSCNMAAOFC-UHFFFAOYSA-N 335.367 1.693 0 40 EDAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCc2sccc2C1 45801090 GMEKXKLMPSPGDU-UHFFFAOYSA-N 340.426 1.804 0 40 EDAB O=C(CCNc1ncccn1)N1CCN(Cc2cccs2)CC1 45875567 LZFUSFCDMOIIFI-UHFFFAOYSA-N 331.445 1.685 0 40 EDAB COC(=O)c1ccccc1-n1ncc(NCCCO)c(Cl)c1=O 29228819 ULTRWRKPATUKCL-UHFFFAOYSA-N 337.763 1.467 0 40 EDAB Cc1cnc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)s1 29442141 MEGXBNKYSROSOA-GFCCVEGCSA-N 329.385 1.510 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 47028053 BXYURNHWOBVTIC-JYJNAYRXSA-N 336.436 1.641 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)c1ccc(-n2ccnc2)nc1 47122090 DRGZQKCLWJBOQH-UHFFFAOYSA-N 346.354 1.173 0 40 EDAB CC[C@]1(C)NC(=O)N(NC(=O)CNc2cccc3c2CCCC3)C1=O 28658651 VFTDNHATCFBMRT-SFHVURJKSA-N 344.415 1.729 0 40 EDAB O=S(=O)(NCc1ccc(Cn2cncn2)cc1)c1cccc(F)c1 48236067 HAFICGFCQUVIFB-UHFFFAOYSA-N 346.387 1.944 0 40 EDAB CCN1C[C@@H](NS(=O)(=O)c2ccc(OCCOC)cc2)[C@H](C)C1 76058492 DZUXRLHZUWUNHP-CZUORRHYSA-N 342.461 1.330 0 40 EDAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1nc2c(s1)CCC2 105817162 LDRHCSPZBVJXAQ-UHFFFAOYSA-N 344.400 1.655 0 40 EDAB COC(=O)[C@@H]1CCC[C@@H](C(=O)NCCCCN2CCOCC2)C1 76060896 VRCUIHGEFQBDQE-HUUCEWRRSA-N 326.437 1.194 0 40 EDAB CCCc1n[nH]c([C@@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)n1 76049923 CMWWJCWXSSSIRD-ZFWWWQNUSA-N 329.404 1.357 0 40 EDAB Fc1ccc(-c2nnn(CN3CCN(c4cnccn4)CC3)n2)cc1 12914268 CVHSZJMJNHMMNA-UHFFFAOYSA-N 340.366 1.049 0 40 EDAB COC(=O)CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12975733 QQGDNABINGKSLS-BQYQJAHWSA-N 330.384 1.228 0 40 EDAB CSCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1 48918874 IGQTVKXOHUTCLP-UHFFFAOYSA-N 331.235 1.626 0 40 EDAB CC[C@H](NC(=O)OCC1=Cc2ccccc2S1(=O)=O)C(=O)O 5240271 MVDRBIHLJOPPCQ-NSHDSACASA-N 325.342 1.404 0 40 EDAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1NCCO 5278176 LMMPDAMZJIOXTI-UHFFFAOYSA-N 345.380 1.517 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)Cc2c[nH]c3ccccc23)C[C@H](C)O1 6384262 ZJKJUQDRNKZYFT-STQMWFEESA-N 330.384 1.889 0 40 EDAB COc1ccnc(N2CCN(C(=O)CCc3ccccc3F)CC2)n1 65465770 WVQNKHYWCBXDKB-UHFFFAOYSA-N 344.390 1.906 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)NCCNc1cnccn1 65410453 UDKWNMNCFYSNLT-UHFFFAOYSA-N 341.400 1.540 0 40 EDAB CN(CCNC(=O)COc1ccc(C(N)=O)cc1)c1ccccc1 65492400 YBONJCFVFRZGKQ-UHFFFAOYSA-N 327.384 1.417 0 40 EDAB CCOCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 65591218 FWQPJSSFROABFP-UHFFFAOYSA-N 339.823 1.141 0 40 EDAB CC1CCN(C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC1 14121603 ORAPUNHDGGBTGL-HNNXBMFYSA-N 329.400 1.408 0 40 EDAB O=C(CN1CCN(c2nccs2)CC1)NCCc1ccc(F)cc1 65611415 CUNMOQHLWQDMDA-UHFFFAOYSA-N 348.447 1.763 0 40 EDAB CN1CCO[C@H](CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 65611238 MYIWDKXSVAEVSG-CQSZACIVSA-N 330.388 1.226 0 40 EDAB CCCN(CC(F)F)S(=O)(=O)c1cccc(-c2nnnn2C)c1 96427853 CGOWMAFEOYASEX-UHFFFAOYSA-N 345.375 1.543 0 40 EDAB Cc1cnn(CCC(=O)NCCNc2nccc(C(F)(F)F)n2)c1 96414542 YWUWELMDBOSRHD-UHFFFAOYSA-N 342.325 1.619 0 40 EDAB CCS(=O)(=O)NC1CCN(c2ccc(C(F)(F)F)nn2)CC1 96488983 SEHNFRKYJBNAAW-UHFFFAOYSA-N 338.355 1.404 0 40 EDAB COc1ccc(CCC2CCN(Cc3nc(N)nc(N)n3)CC2)cc1 9515083 FICLKAKBJMLWRR-UHFFFAOYSA-N 342.447 1.889 0 40 EDAB C[C@H]1CN(C[C@H](O)CSc2ncn(-c3ccccc3)n2)C[C@@H](C)O1 66482383 IUPUAAVELGZWOD-LZWOXQAQSA-N 348.472 1.830 0 40 EDAB Cc1ccc(F)c(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)c1 71889046 WVCCRWJUDFDTBQ-UHFFFAOYSA-N 343.358 1.992 0 40 EDAB COC(=O)c1ccc(C(=O)NCc2cccc3c2OCCO3)nc1 67044424 LTDHPPCNGLZQLS-UHFFFAOYSA-N 328.324 1.569 0 40 EDAB COc1cccc(CCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1OC 71829783 VUOPGEHCLKPYCL-TZMCWYRMSA-N 334.416 1.749 0 40 EDAB CS(=O)(=O)CCNC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 71803187 HIEQYSUNDAYUJP-CYBMUJFWSA-N 346.836 1.468 0 40 EDAB CC(C)C[C@@H](NC(=O)Nc1ccccn1)C(=O)N1CCC(CO)CC1 71850854 ARLSTKPAYSFXPP-OAHLLOKOSA-N 348.447 1.849 0 40 EDAB Cc1ccc2nc(CN3CCN(c4ncccn4)CC3)cc(=O)n2c1 7389078 XSAPXJGIFHKPEQ-UHFFFAOYSA-N 336.399 1.115 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(C3CC3)n2C2CC2)C1 7550879 FITKUISXIMOVIE-LLVKDONJSA-N 349.460 1.306 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCNC(=O)CC1)c1ccc(Cl)cc1 83847694 LGMBWMIOVFLDQA-AWEZNQCLSA-N 338.839 1.474 0 40 EDAB O=C(c1[nH]nc2c1CCCC2)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16026438 QHEMHURHLYYFMQ-QWHCGFSZSA-N 338.411 1.710 0 40 EDAB Cc1cccc(OCCN(C)C(=O)c2cnc3n(c2=O)CCS3)c1 16148693 RVEAZSLERMULTD-UHFFFAOYSA-N 345.424 1.808 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cnns1 95978734 ONXFHHBQJJLUTP-SNVBAGLBSA-N 340.767 1.866 0 40 EDAB C[C@H]1C[C@H](OC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)O1 95955869 JGHHBEQVRXWLDJ-MFYBUHTGSA-N 349.427 1.956 0 40 EDAB CS(=O)(=O)CCCC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 95964235 YDIZVHVTNOBOPI-ZDUSSCGKSA-N 344.864 1.860 0 40 EDAB COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H]1CCCN(C(C)C)C1 69045521 FDRYAZYAVKHDGB-LSDHHAIUSA-N 327.469 1.994 0 40 EDAB O=C(Cn1nc(Br)nc1Br)N1CCCC1 8296449 CUPMXKGQLIDUQJ-UHFFFAOYSA-N 338.003 1.426 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cccc(N(C)C)c1)C2=O 8391152 ODKITKSRAOGUDD-UHFFFAOYSA-N 344.415 1.898 0 40 EDAB NC(=O)[C@@H](NS(=O)(=O)N1CCc2ccccc2C1)c1ccccc1 69443566 CCJQBSVEGHTLDG-INIZCTEOSA-N 345.424 1.106 0 40 EDAB Cc1cccc(C)c1OCCNc1ncc(S(N)(=O)=O)s1 69443974 NXKBIKAHKWNLQX-UHFFFAOYSA-N 327.431 1.898 0 40 EDAB CSc1nnc(CN2C(=O)c3ccccc3CS2(=O)=O)s1 69415163 ICAOIJBJDWGSLQ-UHFFFAOYSA-N 341.439 1.746 0 40 EDAB Cn1ccnc1COc1ccc(CN[C@H]2CCc3ncnn3C2)cc1 69588124 FCDFXZLPEMIHMW-HNNXBMFYSA-N 338.415 1.695 0 40 EDAB COc1ccnc(N2CCN(c3ncnc4cccc(F)c34)CC2)n1 69539051 WMDOTSWIFYFKHL-UHFFFAOYSA-N 340.362 1.894 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)[C@@H](C)n3cccn3)CC2)n1 69560297 GUJLLMAIMCRATA-CQSZACIVSA-N 344.419 1.290 0 40 EDAB O=C(Nc1ccccc1-n1ccnn1)c1ccc(-n2cncn2)nc1 95994298 UFPBRUZQPZVHSC-UHFFFAOYSA-N 332.327 1.495 0 40 EDAB Cc1n[nH]c(=O)c(CNC(=O)Cc2c(C)nn(CC(C)C)c2C)c1C 69618135 GYVUQVDYRDZTEQ-UHFFFAOYSA-N 345.447 1.715 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)Cc2cnn(-c3ccccc3)n2)cn1 69701533 UMRVQWQTPHEGLP-KRWDZBQOSA-N 336.399 1.907 0 40 EDAB O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)[C@H]1CC=CCC1 69738987 ZOFFFFAZJUNZAM-AWEZNQCLSA-N 331.420 1.976 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)on1 69770247 LSJLIJUXUJNYLC-JTQLQIEISA-N 346.318 1.918 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2CC(=O)Nc2nnc(C)s2)c1 72253310 WLELGLANNCVEIN-ZDUSSCGKSA-N 334.449 1.845 0 40 EDAB Cn1cc(NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)cn1 72280465 IJOKTVJHXOEYHR-UHFFFAOYSA-N 338.389 1.488 0 40 EDAB COCC(=O)N(C)[C@](C)(C(=O)OC)c1ccc(Br)cc1 72292708 GUPKFCZECPNYAW-AWEZNQCLSA-N 344.205 1.942 0 40 EDAB O=C([C@H]1CN(C(=O)C2CCCC2)c2ccccc2O1)N1CCOCC1 70721853 YNHKWQAEAHDRRN-QGZVFWFLSA-N 344.411 1.830 0 40 EDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72282744 YXZUTHLNKDENQG-NSHDSACASA-N 341.371 1.578 0 40 EDAB CCc1nnc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)n1C 97033533 JVJWASVTPMYOHZ-SNVBAGLBSA-N 340.424 1.771 0 40 EDAB Cc1cc(C)c(CNC(=O)NCc2ccc3c(c2)OCCO3)c(=O)[nH]1 72305719 PLANQWVQNBDHIY-UHFFFAOYSA-N 343.383 1.762 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2cccc(-n3cccn3)c2)C[C@@H](C)O1 95397996 VGSBTCYGWYZPTK-HUUCEWRRSA-N 328.416 1.711 0 40 EDAB CCc1cc(=O)n2nc(N3CCC[C@@H](n4ccnc4)C3)sc2n1 95349646 DZQCKPWVYJHGPP-GFCCVEGCSA-N 330.417 1.751 0 40 EDAB CCOC(=O)c1sc(NC(=O)CCNc2ncccn2)nc1C 95477192 OCEOIWMMTYYSPM-UHFFFAOYSA-N 335.389 1.859 0 40 EDAB O=C(COc1ccc(F)cc1F)N[C@H]1CCO[C@@]2(CCOC2)C1 95457915 DOZQZMPCAVPDOO-LRDDRELGSA-N 327.327 1.798 0 40 EDAB CN1N=C(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)CCC1=O 21904554 DMWGCTYFVVJKEF-ZDUSSCGKSA-N 342.399 1.472 0 40 EDAB Cc1noc([C@@H](NC(=O)NC[C@]2(C)CCCO2)C2CCOCC2)n1 548017738 MJVBMYSHIYLJNH-BBRMVZONSA-N 338.408 1.714 0 40 EDAB O=C(CCCn1cnnn1)Nc1cc(Cl)ccc1-n1cncn1 524733783 OTVWVPYKYXVHCF-UHFFFAOYSA-N 332.755 1.326 0 40 EDAB CCSc1nc2n(n1)[C@@H](c1cn(C)nc1C)C(C(=O)OC)=C(C)N2 36621307 VOAZTWQCJTUCFE-LBPRGKRZSA-N 348.432 1.894 0 40 EDAB C[C@H](Cc1c(F)cccc1F)NC(=O)NC[C@@H](O)C1CCOCC1 76952497 YFRVARFQPLLSRG-BDJLRTHQSA-N 342.386 1.983 0 40 EDAB CCC[C@@H](C)Nc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O 217595521 UJNKWQFHCCRYME-LLVKDONJSA-N 344.433 1.646 0 40 EDAB CN1CCN(c2cc(NC(=O)COc3ccccc3F)ncn2)CC1 75166216 CATLDVAOJGQNFD-UHFFFAOYSA-N 345.378 1.385 0 40 EDAB NC(=O)[C@@]1(CCCc2ccccn2)CCCN(c2ncccn2)C1 72367216 DNUUMYTZDMYETF-SFHVURJKSA-N 325.416 1.966 0 40 EDAB Cc1cn2nc(N[C@H]3CCN(C(=O)c4csnc4C)C3)ccc2n1 560742775 BNZFJIVHZGBWSX-LBPRGKRZSA-N 342.428 2.129 0 40 EDAB O=C(O)c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)NC2CC2)c1 217441731 DMOPWCMHLTURSU-LBPRGKRZSA-N 340.401 1.416 0 40 EDAB Cc1c(Cl)c(NC(=O)c2cc(C3CC3)nc3ncnn23)nn1C 36619138 LAZSFNMSJZWWOL-UHFFFAOYSA-N 331.767 1.949 0 40 EDAB Cc1cc(C)n(CCNS(=O)(=O)Cc2cc(F)ccc2F)n1 75170421 HXBVEQZXQKZNKB-UHFFFAOYSA-N 329.372 1.898 0 40 EDAB CN(C)C(C)(C)CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 78602966 SQNQMIOWIYOSHG-ZDUSSCGKSA-N 327.494 1.535 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@]1(O)CCc2ccccc21 75155750 FFDSFGCEMDVZHT-QGZVFWFLSA-N 330.409 1.315 0 40 EDAB COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(C)=O)c1 40718110 RAADKAMZAJEGJR-UHFFFAOYSA-N 337.401 1.143 0 40 EDAB CC1=NNC(=O)[C@@H]1CCNC(=O)c1ccc(O[C@H]2CC2(F)F)cc1 528551674 ONKFQJITTNPJJR-OLZOCXBDSA-N 337.326 1.715 0 40 EDAB COc1cnccc1N1CCN(C(=O)c2ncn(C(C)(C)C)n2)CC1 570769579 PXLQADVGGFTKLR-UHFFFAOYSA-N 344.419 1.399 0 40 EDAB CN(C)C(=O)c1ccc(NC(=S)NCCN2CCCC2=O)cc1 225812747 CYXQUAAUMHNCMP-UHFFFAOYSA-N 334.445 1.297 0 40 EDAB Cc1nc(N2CCN(C(=O)c3cc[nH]n3)CC2)cc(C(F)(F)F)n1 225733737 UIZMDVDXZOWBKJ-UHFFFAOYSA-N 340.309 1.489 0 40 EDAB COc1cc(N2CCCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225906222 AJTNJJGQOYARRH-NSHDSACASA-N 337.449 1.551 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)c(N)cn2)C1 585130082 GYQCDQOKCLIYGM-SECBINFHSA-N 346.840 1.317 0 40 EDAB CCO[C@@H](CC)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C 577532920 SIRPLULCWBYKQB-UKPHBRMFSA-N 348.447 1.546 0 40 EDAB CC[C@H]1CC[C@H](C(=O)Nc2n[nH]cc2I)O1 585127482 BCDOODIIKPGYMM-POYBYMJQSA-N 335.145 1.910 0 40 EDAB O=S(=O)(CC[C@H]1CCCO1)N1CCC[C@H](N2CCCCC2)C1 230129015 QFFVKNURLIXLAD-JKSUJKDBSA-N 330.494 1.836 0 40 EDAB O=C(c1ccco1)N1CCOC[C@@]2(C[C@H](CN3CCCC3)CO2)C1 96052032 BNAFWLPEHYKZNV-CRAIPNDOSA-N 334.416 1.623 0 40 EDAB CC(C)Cn1cc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cn1 96192231 XKEFJLMXXKWVCD-DZGCQCFKSA-N 334.420 1.187 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2)c1ccccc1 96206933 ZSMQTVAXBKRCOI-KDOFPFPSSA-N 342.374 1.499 0 40 EDAB CC(=O)N1C[C@H](NC(=O)c2ncccc2O)CC[C@@H]1C(F)(F)F 583619987 FOLVEUGTFKXPOX-MWLCHTKSSA-N 331.294 1.459 0 40 EDAB O=C(N[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@@H]21)c1cccnc1 96040657 GTGGOVFPDVSWQS-XHSDSOJGSA-N 339.399 1.285 0 40 EDAB O=C(COC[C@H]1C[C@H]2[C@@H](C1)OCCN2c1ncccn1)N1CCCC1 96250622 SZLHCSQKAVYJOF-HRCADAONSA-N 346.431 1.099 0 40 EDAB COCCO[C@H]1CCN(S(=O)(=O)C2CC2)[C@H]1Cc1ccccc1 96200421 UHTXNHIEUWQWDG-IRXDYDNUSA-N 339.457 1.827 0 40 EDAB Cn1cc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3COc2ncccn2)cn1 96055267 HWZCGDJLTZHXML-OWCLPIDISA-N 329.404 1.269 0 40 EDAB C[C@]1(C(=O)NCCCN2CCOCC2)CC(c2ccccc2F)=NO1 96192689 QSEFJIKGWAMDOY-GOSISDBHSA-N 349.406 1.547 0 40 EDAB CCS(=O)(=O)N1CCOC[C@]2(CCN(Cc3ccco3)C2)C1 96202159 JPDAUHJPHGCZAE-HNNXBMFYSA-N 328.434 1.154 0 40 EDAB Cc1ccc(NC[C@@H]2CO[C@@]3(COCCN(C(=O)C4CC4)C3)C2)nn1 96240568 QFICVPYDVIMRMO-KDOFPFPSSA-N 346.431 1.241 0 40 EDAB CC[S@](C)(=O)=NS(=O)(=O)NC[C@@H](Cc1ccccc1)N(C)C 585115387 YIONEZTWHKHDMY-SZNDQCEHSA-N 347.506 1.111 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(Cn3cccn3)o1)C2 97198630 RIJMDKHRMLIASR-CYBMUJFWSA-N 325.372 1.774 0 40 EDAB O=C(c1n[nH]c(O)n1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 96461255 FNMIBSHBHAYFIZ-LLVKDONJSA-N 340.343 1.928 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1cccnc1)Cc1ccccc1 242656113 CSJKNFGYYZAUNM-UHFFFAOYSA-N 333.413 1.160 0 40 EDAB CN1CC[C@@H]2CCN(S(=O)(=O)c3cccc4nsnc34)[C@H]2C1 248667691 QDZCXGOCKXVRQL-PWSUYJOCSA-N 338.458 1.406 0 40 EDAB Cc1cc(CCC(=O)N(C)C)nc([C@H]2CCCN(CC(=O)O)C2)n1 257269867 MRSBFEBARXBBDF-ZDUSSCGKSA-N 334.420 1.070 0 40 EDAB O=C(c1cnc(C2CC2)nc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257317207 VIUUDOIEVLEBFC-GJZGRUSLSA-N 327.388 1.389 0 40 EDAB O=C1[C@@H](NS(=O)(=O)c2ccccc2)CCN1c1ccccc1F 69737878 YBDGUOINZXUMTG-AWEZNQCLSA-N 334.372 1.910 0 40 EDAB Cn1ncc(N2CCC(NC(=O)c3cccnc3)CC2)c(Cl)c1=O 69744399 BEJIICQTOIKCBA-UHFFFAOYSA-N 347.806 1.228 0 40 EDAB O=S(=O)(c1cn[nH]c1)N1CCC(c2ccnc3ccnn23)CC1 257304771 SNCGBLDGVPVGCG-UHFFFAOYSA-N 332.389 1.021 0 40 EDAB O=C(CCN1CCCC1=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257208061 BKNHQTUSIFMZEI-GPMSIDNRSA-N 346.427 1.476 0 40 EDAB CCn1nc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1C 257264121 LTAIFOJHSIGCNS-HZPDHXFCSA-N 333.363 1.615 0 40 EDAB O[C@@H](COc1ccccc1)CN1CCN(CC2(O)CCCCC2)CC1 69820046 RRUDTMXFFJZTLC-GOSISDBHSA-N 348.487 1.739 0 40 EDAB Cc1cc(C)n(CCCC(=O)N2CCO[C@H](c3cccc(N)n3)C2)n1 257255461 KHNZZVYDQROZBG-INIZCTEOSA-N 343.431 1.857 0 40 EDAB CCCn1nnnc1COC(=O)c1[nH]c(CC)c(C(=O)OC)c1C 27592912 PWATXSFZPYUUNU-UHFFFAOYSA-N 335.364 1.426 0 40 EDAB CCc1nccn1CCC(=O)N1CCC[C@@H](Cc2nccnc2N)C1 257315630 VCFGRSBWJNDYDQ-AWEZNQCLSA-N 342.447 1.689 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(C(C)=O)[C@@H](c2ccccc2)C1 257232566 GLKLGGXZZMDYHB-MRXNPFEDSA-N 339.461 1.478 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)COc3cccnc3)CCO2)n1 257330868 XQJDIPNSSWREAA-OAHLLOKOSA-N 328.372 1.467 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)nc(C)n1 257256132 KKFRHLFPYSTLTF-AWEZNQCLSA-N 330.392 1.020 0 40 EDAB O=C(Nc1ncccc1O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 276227594 YITMWCPNAGANQF-CHWSQXEVSA-N 331.372 1.167 0 40 EDAB O=C(CNC(=O)NCCC(=O)N1CCCCCC1)Nc1cccnc1 70019250 OVKISQFOCYGBTD-UHFFFAOYSA-N 347.419 1.112 0 40 EDAB CNC(=O)Cc1ccc(NC(=O)N2CCC(=O)N3CCCC[C@@H]32)cc1 1615057702 HKCRMEDOQAWWPC-INIZCTEOSA-N 344.415 1.551 0 40 EDAB C[C@H](NC(=O)c1ncn(C(C)(C)C)n1)C(=O)N1CCc2ccccc21 1615001801 FOLPIINHCIHZDT-LBPRGKRZSA-N 341.415 1.741 0 40 EDAB O=C(NCCc1ccccc1)NCCn1ccnc1-c1ncccn1 96103929 REIVYIJSMNWBFS-UHFFFAOYSA-N 336.399 1.882 0 40 EDAB CC1CCC2(CC1)OC[C@@H](CNC(=O)NCCCC(=O)N(C)C)O2 390833102 CDKXTUUMOYAQHS-XOYHFGRZSA-N 341.452 1.476 0 40 EDAB CCCCC(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CCO2)C1 575404287 MQHDPJPDJOGPKZ-OAHLLOKOSA-N 338.448 1.576 0 40 EDAB C[C@]1(NC(=O)NCCc2c[nH]c3ccccc23)CCS(=O)(=O)C1 575424662 VHFPYAUFNYGRCA-INIZCTEOSA-N 335.429 1.587 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4conc4C)C[C@@H]3C2)cs1 585107613 TYAXWMJARFFPMB-STQMWFEESA-N 332.429 1.952 0 40 EDAB COc1cccc2[nH]c(C(=O)N(C)[C@@H]3COC[C@@H](OC)[C@H]3OC)cc12 585288379 YJNYOKRDEPXFEB-OIISXLGYSA-N 348.399 1.677 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)N(C[C@H]1CCOC1)C1CC1 44940897 IECMBPZIVBAZFR-CYBMUJFWSA-N 342.399 1.209 0 40 EDAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC)C2)cc1 48914031 WFYHARIZOGRQOA-XJKSGUPXSA-N 345.443 1.700 0 40 EDAB NC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C1 78986411 VKTVNIDHTLQJPT-HZPDHXFCSA-N 348.422 1.449 0 40 EDAB CN1CC[C@@H](NC(=O)NCc2nccn2CCc2ccccc2)C1=O 83655544 FRTUUAKRRUYELR-OAHLLOKOSA-N 341.415 1.156 0 40 EDAB C[C@@H](CNC(=O)N[C@H](C)CO)Oc1cccc(Br)c1 80546603 IKCGTMGUCJTXHR-ZJUUUORDSA-N 331.210 1.896 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 570403267 MFLIZBOROUXPGV-LBPRGKRZSA-N 338.385 1.255 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)Cn2cc(I)cn2)C1 77963044 FJXOMVOWYDBBQE-UWVGGRQHSA-N 347.200 1.992 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N2C(=O)c3ccccc3C2=O)cc1 5726276 BFUAOBWUZYTSFU-UHFFFAOYSA-N 344.348 1.630 0 40 EDAB CS(=O)(=O)NCCCNS(=O)(=O)c1ccc2ccccc2c1 12936934 FFLCYYGRRRQLRR-UHFFFAOYSA-N 342.442 1.057 0 40 EDAB Cn1c(=O)c2c(NC(=O)c3c(F)cccc3F)ccnc2n(C)c1=O 13011015 NSCARZAZLGTHBV-UHFFFAOYSA-N 346.293 1.163 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc32)cc1 16545634 UFULTQKTGPXUFQ-UHFFFAOYSA-N 330.369 1.322 0 40 EDAB CC(C)CNC(=O)NC(=O)COC(=O)Cc1c[nH]c2ccccc12 5400267 ZUCHDCZHXPJCCP-UHFFFAOYSA-N 331.372 1.735 0 40 EDAB Cc1nc(N2CC(CN(C)S(=O)(=O)C3CC3)C2)c2ccncc2n1 1888860237 DLPWNOUATXMJSO-UHFFFAOYSA-N 347.444 1.193 0 40 EDAB COc1ccc(CCNC(=O)N2CCN(c3cnccn3)CC2)cc1 26145489 VGSLAAMRBOVGQU-UHFFFAOYSA-N 341.415 1.560 0 40 EDAB O=S(=O)(c1ccccc1Br)N1CC(N2CCCC2)C1 697783725 WIPRSDWUICSQHJ-UHFFFAOYSA-N 345.262 1.918 0 40 EDAB O=C(CC1(O)CCC1)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1 1614927540 VXUJJUODQFOXOD-CQSZACIVSA-N 346.431 1.646 0 40 EDAB O=C(c1csnn1)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 1565551790 RZYZTKBUBJUXRO-XHDPSFHLSA-N 346.416 1.204 0 40 EDAB CC1=C(C(N)=O)[C@@H](c2cccc(Br)c2)N2NC=NC2=N1 71240 BSXCJHFSPUZZSF-LLVKDONJSA-N 334.177 1.468 0 40 EDAB COc1ccc(CN2CCC(C(=O)N(C)C)(n3cccn3)CC2)cc1 2055772067 UJFRUGJEMAXAPZ-UHFFFAOYSA-N 342.443 1.971 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N1[C@H]2CCC[C@H]1COC2 101328549 GSPSCWHKDUPQFJ-UWVGGRQHSA-N 331.415 1.477 0 40 EDAB COc1nc(CNC(=O)c2ccc(Br)o2)nc(OC)n1 575604276 VTGVNGFIKXKPTR-UHFFFAOYSA-N 343.137 1.174 0 40 EDAB CC(C)C[C@@H](CNC(=O)c1cn2ccccc2n1)N1CCOCC1 40047484 OAYSIYYARJOMMV-HNNXBMFYSA-N 330.432 1.811 0 40 EDAB O=C1CN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CCN1 40489481 CEDWKEJWESGRDD-UHFFFAOYSA-N 330.384 1.228 0 40 EDAB O=C(NCc1nnc2n1CCC2)[C@H]1COc2ccc(Cl)cc2C1 40486262 QQROVJUGQCLEBJ-LLVKDONJSA-N 332.791 1.745 0 40 EDAB O=C(NCCCN1CCOCC1)[C@@H]1Cc2c(ccc3ccccc23)O1 20390153 KYKOQRACRGXGOG-IBGZPJMESA-N 340.423 1.982 0 40 EDAB COCc1ccccc1CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 40501671 ROEMIYNZJHRFGS-STQMWFEESA-N 328.434 1.277 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1C[C@H](O)c1ccccc1Cl 51260120 HKGOUMCEOYHDKM-FZMZJTMJSA-N 326.805 1.801 0 40 EDAB c1nc2c3c4c(sc3nc(NCCN3CCOCC3)n2n1)CCC4 20502981 ZRLYHHFJFSXOJH-UHFFFAOYSA-N 344.444 1.572 0 40 EDAB Cc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2cccnc2)cc1 32680638 ZVSRFXACPUAGNB-UHFFFAOYSA-N 347.440 1.717 0 40 EDAB CC(=O)N1CCc2cc(C(=O)NCc3cccnc3N(C)C)ccc21 32688826 RPXZNDAEXZCQNQ-UHFFFAOYSA-N 338.411 1.987 0 40 EDAB CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(O)nn2)cc1 32740303 IOPOMSNTSAMXMH-UHFFFAOYSA-N 329.360 1.642 0 40 EDAB O=C(Cn1ccccc1=O)Nc1ccc(OCC(F)(F)F)nc1 32931156 PXYUZPAXXAJQCP-UHFFFAOYSA-N 327.262 1.823 0 40 EDAB O=C(O)c1ccc(CN2CCN(Cc3ccccn3)C(=O)C2=O)cc1 32918688 OKBNETPCFGFSEU-UHFFFAOYSA-N 339.351 1.151 0 40 EDAB O=C(Cc1noc2ccccc12)N1CCN(CCN2CCCC2)CC1 52921598 VCDUHPXHUBLZFK-UHFFFAOYSA-N 342.443 1.610 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC(N2CCNC2=O)CC1 53282577 USKBIULILLNDMV-CYBMUJFWSA-N 348.451 1.281 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc2ccccc2n1 103812588 IZDFXCAKFKLZKP-DSIZOQBWSA-N 347.374 1.980 0 40 EDAB COc1ccc(CNC(=O)Cc2nc3ccsc3c(=O)[nH]2)cc1 53847951 ONVFILORVKPRAP-UHFFFAOYSA-N 329.381 1.852 0 40 EDAB CNC(=O)c1cccc(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 23135629 AYSJFGFNTSEWSM-INIZCTEOSA-N 338.363 1.444 0 40 EDAB O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1ccncc1 42753120 HFDRYLNNOWRUHQ-UONOGXRCSA-N 340.470 1.665 0 40 EDAB O=[S@@](Cc1nc(-c2ccc(F)cc2)no1)Cc1nnnn1C1CC1 105678911 BEVQTUYAOLXCTF-DEOSSOPVSA-N 348.363 1.646 0 40 EDAB CCOC(=O)Cn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O 48145 MFMHWIBOBUYTDA-UHFFFAOYSA-N 338.363 1.775 0 40 EDAB Cc1nc(C)c(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)s1 24685373 BEKXZKICEJNHSS-NSHDSACASA-N 331.463 1.304 0 40 EDAB Cc1nc([C@H]2CCCN2Cc2csc(CC(=O)N(C)C)n2)no1 78757654 CSHRIEAEGWXFQY-GFCCVEGCSA-N 335.433 1.802 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)[C@H](C)N3CCCCC3=O)CCO2)n1 78889730 SFQAOWIEQXAPNJ-QWHCGFSZSA-N 349.435 1.058 0 40 EDAB C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCc2cccc(CN(C)C)c2)CC1=O 78894564 UKJUJHBLGFEQSH-XYPHTWIQSA-N 344.459 1.557 0 40 EDAB O=C(NCc1cccc(-n2cccn2)c1)N[C@@H]1CC(=O)N(C2CC2)C1 78977720 JMDFKTFCAXXJTM-CQSZACIVSA-N 339.399 1.435 0 40 EDAB OC[C@@H](O)[C@@H](O)c1nn(-c2ccccc2)c2nc3ccccc3nc12 1659029 SZIWVPXLZYHQFM-RHSMWYFYSA-N 336.351 1.355 0 40 EDAB CC(=O)N[C@H](CC(=O)NCc1nc(C2CC2)no1)c1cccs1 55706003 ZIGPQXHXXCIWRI-LLVKDONJSA-N 334.401 1.892 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)nc1 57200550 HNTBTUYDWQCVLI-CYBMUJFWSA-N 340.383 1.569 0 40 EDAB CS(=O)(=O)NCc1nnc(SCC(=O)c2ccccc2F)o1 4968453 NGPRSKLSCFPWOI-UHFFFAOYSA-N 345.377 1.233 0 40 EDAB Cc1ncc(CNc2ccccc2N2CCN(CCO)CC2)cn1 57823024 TVFCHYABWLPPPP-UHFFFAOYSA-N 327.432 1.511 0 40 EDAB O=C(NCCS(=O)(=O)c1ccccc1)c1cn2ccccc2n1 58004887 XXKMKRDEHGCAAU-UHFFFAOYSA-N 329.381 1.538 0 40 EDAB C[C@H](NC(=O)CN1CCN(CCO)CC1)c1cccc2ccccc12 58029065 ISLXFNYQUFMADC-INIZCTEOSA-N 341.455 1.627 0 40 EDAB CC(C)CN1CCN(C(=O)c2cn(C)nc2-c2cccnc2)CC1 58065276 HAZYFCSPMGWGFR-UHFFFAOYSA-N 327.432 1.896 0 40 EDAB CC1CCN([C@@H](C)CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 58172208 JHZFNQJQQWIFBV-DLBZAZTESA-N 345.491 1.930 0 40 EDAB O=c1c2ccccc2cnn1C[C@@H](O)CN1CCc2ccccc2C1 58173167 LXWSFWQCHAXYLU-SFHVURJKSA-N 335.407 1.816 0 40 EDAB COc1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1 12619897 DWSGXTBRLZZIHH-UHFFFAOYSA-N 327.344 1.167 0 40 EDAB O=C(CCNc1ncccn1)N1CCN(Cc2ccccc2F)CC1 44818959 WESQLPRIAKSFHN-UHFFFAOYSA-N 343.406 1.762 0 40 EDAB CC(=O)NCCNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 58209425 YGXPNDBMJNBUKK-OLZOCXBDSA-N 325.206 1.805 0 40 EDAB CCn1cc(NS(=O)(=O)c2cc(C)cc(C(=O)O)c2O)cn1 58245603 GAVFNDFESKOLMN-UHFFFAOYSA-N 325.346 1.416 0 40 EDAB O=c1cc(CN2CCC(CCc3ccc(O)cc3)CC2)[nH]c(=O)[nH]1 44906966 IUOYYLRZXCDTSH-UHFFFAOYSA-N 329.400 1.614 0 40 EDAB CC(C)[C@@H](C(=O)NCCNc1ncccn1)N1C[C@@H](C)O[C@H](C)C1 58393769 AXXGCOOTEDLBCC-KFWWJZLASA-N 335.452 1.139 0 40 EDAB CCc1c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccccc1 45075782 YGQWMJHYQMCENB-ZDUSSCGKSA-N 347.440 1.599 0 40 EDAB COc1cc(/C=C2\NC(=S)N(C[C@H]3CCCO3)C2=O)ccc1O 9579402 YQPKZWCHJMBJCH-HBZGRHIISA-N 334.397 1.637 0 40 EDAB C[C@@H]1CN(C[C@H]2CCOC2)C[C@]12CCN(Cc1cccnc1)C2=O 107219594 FHDVCRWSNLYUQN-SZVBFZGTSA-N 329.444 1.789 0 40 EDAB Cc1ccnn1C[C@@H](C)CNS(=O)(=O)c1cnn(C(F)F)c1C 36614445 FPQSPIBNLDOIPP-VIFPVBQESA-N 347.391 1.706 0 40 EDAB O=C(NCc1ncc(-c2ccccc2)o1)N[C@H]1CCCCNC1=O 45667954 ZTODOENZHIKGHV-ZDUSSCGKSA-N 328.372 1.810 0 40 EDAB CC(=O)NCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1 11658722 DJJFZDQVFJDXJV-UHFFFAOYSA-N 330.388 1.297 0 40 EDAB Cc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c2ccc(F)cc2n1 46196945 FVTPLDUMFOLCRO-GFCCVEGCSA-N 336.388 1.941 0 40 EDAB Cc1csc(CNC(=O)Cc2nn(C)c(=O)c3ccccc23)n1 29886903 UXZPKMXMQYYCTD-UHFFFAOYSA-N 328.397 1.557 0 40 EDAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCCC(C)C)[C@@H]4C2=O)no1 101450474 KLFYJWOZWHIGPW-DRRHNWJESA-N 345.399 1.432 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)[C@H](Cc1ccccc1)n1cnnn1 47644609 CWRQVFKXXRJOCV-INIZCTEOSA-N 340.387 1.720 0 40 EDAB Cc1nc(C(C)C)sc1C(=O)NCCN1CCS(=O)(=O)CC1 48290112 HEAOYVPATDLIBH-UHFFFAOYSA-N 345.490 1.035 0 40 EDAB C[C@@H]1Cc2nc(SCC(N)=O)n(Cc3ccccc3)c(=O)c2S1 4108108 APDJWKHYYNZQRS-SNVBAGLBSA-N 347.465 1.906 0 40 EDAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1nc[nH]n1 3616808 OUNHFYFDOWHUBZ-UHFFFAOYSA-N 327.344 1.600 0 40 EDAB CCn1c(N)c(-c2csc(-c3ccc(O)cc3)n2)c(=O)[nH]c1=O 4218706 SDKDPMARNAEWCY-UHFFFAOYSA-N 330.369 1.635 0 40 EDAB CC/C=C(\C)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 96256172 KETALRYLEZDKKG-YIXHJXPBSA-N 329.400 1.231 0 40 EDAB CCO[C@H]1CCCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)C1 65476249 UXWACOZWDCGCKD-ZDUSSCGKSA-N 329.400 1.504 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)Nc2cnn(CC(N)=O)c2)cc1 65422871 YCQYARPZMYJUBZ-OAHLLOKOSA-N 343.387 1.746 0 40 EDAB C[C@@H](CNC(=O)[C@@](C)(c1ccccc1)N1CCCC1)N1CCOCC1 65517070 HOSOLYLLDONJRU-FXAWDEMLSA-N 345.487 1.835 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)CC[C@H]2CCCO2)c1 65591151 OPMAPISJBMCSGQ-OAHLLOKOSA-N 340.445 1.311 0 40 EDAB CNC(=O)CN(C)c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1 14140953 VPNRLOZMPZMLRW-UHFFFAOYSA-N 342.465 1.071 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)[C@@H]2COc3ccccc3O2)c1 14124963 NMRXCDAEYBSTDM-HNNXBMFYSA-N 333.365 1.869 0 40 EDAB CN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 14139409 JXFJZYOQUQKSKC-KRWDZBQOSA-N 339.395 1.398 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCC(=O)OC(C)C)c(Cl)c1 65610032 MLYGPFIHMKFTSX-UHFFFAOYSA-N 349.792 1.357 0 40 EDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)N1CCCCC1 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O=C(CN1CSCC1=O)NCc1ccc(Cn2cccn2)cc1 9691354 HOEPTZBOULWIQA-UHFFFAOYSA-N 330.413 1.081 0 40 EDAB CN1C(=O)CC[C@H](C(=O)O[C@@H]2CCCSC2)[C@@H]1c1cnn(C)c1 71913769 ZQRJHPRYCXVDDZ-IPYPFGDCSA-N 337.445 1.768 0 40 EDAB Cc1nn(C)c(Cl)c1CSc1n[nH]c(=O)n1C[C@@H]1CCCO1 70040255 YKOJCDSOOAFJPH-VIFPVBQESA-N 343.840 1.738 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)ccc1-n1cnnn1 70011112 WULAUDWAIZBXDF-MRXNPFEDSA-N 337.387 1.682 0 40 EDAB CC(C)c1ccc(CN2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)cc1 69379295 KOFYCRURJRNCME-QGZVFWFLSA-N 329.444 1.733 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)n1 69393557 NSJUKHQSYQYFNJ-UHFFFAOYSA-N 337.383 1.929 0 40 EDAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)no1 8776708 GALVNQLKQFHJCI-GFCCVEGCSA-N 327.344 1.820 0 40 EDAB CN(CCN1CCOCC1)C(=O)N[C@@H]1CCCOc2ccccc21 72274301 JUANGBPWXHCARE-MRXNPFEDSA-N 333.432 1.874 0 40 EDAB CC[C@@H](NC(=O)CNC[C@H]1CN(C)CCO1)c1ccc(Cl)cc1 72267895 CXVGDRVDGYMFOH-JKSUJKDBSA-N 339.867 1.828 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2C)C1 72268303 BBXZSEFAOVJQNT-OAHLLOKOSA-N 333.432 1.469 0 40 EDAB COc1cc(F)c(NC(=O)C(=O)NCc2ccc(C)nc2)cc1OC 72271383 YDVSXVASZBJDHN-UHFFFAOYSA-N 347.346 1.801 0 40 EDAB C[S@@](=O)c1nncn1Cc1cc(=O)oc2cc3c(cc12)CCC3 72280975 UHJUCDLHWVSSJH-QHCPKHFHSA-N 329.381 1.659 0 40 EDAB CN1CCN(C2CCN(C[C@@H](O)COCc3ccccc3)CC2)C1=O 72253939 ZMJPYMLATRSJJQ-GOSISDBHSA-N 347.459 1.396 0 40 EDAB CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1CCC(=O)N1 92693686 IJDXTZZWXRECKK-MRXNPFEDSA-N 330.432 1.425 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1cnc3c(cnn3C(C)C)c1)C2 71185276 ZHTLDMSAEYOBIW-UHFFFAOYSA-N 325.376 1.568 0 40 EDAB Cn1c(=O)oc2c(C(=O)Nc3cncnc3N3CCCC3)cccc21 97137727 KVKWTAMDDUPMDP-UHFFFAOYSA-N 339.355 1.774 0 40 EDAB CCn1cc(C(=O)NCC(=O)NC2CC2)c(=O)c2cc(Cl)ccc21 97113414 YNBBLHHQFRZOFD-UHFFFAOYSA-N 347.802 1.683 0 40 EDAB COC(=O)c1cn(C2CCN(c3nc4ccccc4[nH]3)CC2)nn1 97115410 ZATUOXZRDVOTHS-UHFFFAOYSA-N 326.360 1.783 0 40 EDAB Cc1ccn2c(CN[C@H]3CCN(S(C)(=O)=O)C[C@@H]3C)cnc2c1 72300603 IBSZENIDNKNJPN-ZFWWWQNUSA-N 336.461 1.402 0 40 EDAB CC(C)Sc1ncccc1C(=O)NC[C@@](C)(O)c1cnn(C)c1 75145962 DWXJRUVUBUQWIA-MRXNPFEDSA-N 334.445 1.953 0 40 EDAB CN(C)c1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)cn1 75602022 OEHYWZRAMTWMAC-UHFFFAOYSA-N 342.447 1.229 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)CCO2)n1 76046080 INPNLONIDBSUTI-RDBSUJKOSA-N 344.419 1.194 0 40 EDAB CC(C)(CO)n1ccc2nc3ncnn3c(-c3ccccc3)c2c1=O 38828600 WAVYHTKAFGTRGG-UHFFFAOYSA-N 335.367 1.834 0 40 EDAB O=C(Cc1noc(C(=O)NCc2ccco2)n1)Nc1ccccc1 32094878 CYXQQLKQOJDJQS-UHFFFAOYSA-N 326.312 1.774 0 40 EDAB Cn1ncc(C(=O)NCc2ccco2)c1C(=O)NCc1ccco1 36617914 RAERTSNHHRHPIN-UHFFFAOYSA-N 328.328 1.466 0 40 EDAB CCCC(=O)NCCn1nc([C@@H]2CCN(C(C)=O)C2)c2nccnc21 72391620 KFXZYGUITRXBLZ-CYBMUJFWSA-N 344.419 1.078 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CCO1 183986621 GWOSFDBZSPMXFM-SJORKVTESA-N 345.443 1.015 0 40 EDAB O=C(Cn1nc2c(cc1=O)CSCC2)Nc1ccc2c(c1)OCO2 71288961 YKJMLBPBBUZPMH-UHFFFAOYSA-N 345.380 1.400 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@]2(N)CN)cc1 218627822 AXBGAARAMWESOR-ZACQAIPSSA-N 334.416 1.730 0 40 EDAB CC(C)NC(=O)Nc1ccccc1NC(=O)CCN1C(=O)CCC1=O 47381137 QROBTLAOMWIIAB-UHFFFAOYSA-N 346.387 1.694 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)NCc1nc(-c2ccccc2)no1 225651291 TZTUCSIVTOVVNR-UHFFFAOYSA-N 340.339 1.374 0 40 EDAB CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H](C)c1ccccc1OC(C)C 569542968 ZMWNODJLCYEUJW-IVMMDQJWSA-N 334.416 1.633 0 40 EDAB CCn1cc(S(=O)(=O)NC(=O)Cc2c(C)cc(C)cc2C)cn1 195574034 SMFYWMALOHYOJQ-UHFFFAOYSA-N 335.429 1.876 0 40 EDAB C[C@H](SCC(=O)Nc1ccccc1)C(=O)N1CCC[C@H](C(N)=O)C1 225691064 HVRHPTZNNBUDMO-STQMWFEESA-N 349.456 1.471 0 40 EDAB CCn1nc(C)cc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 226745377 GZAYXAOBAAPKCG-CQSZACIVSA-N 326.400 1.881 0 40 EDAB Cc1ccc(N2C[C@H](NC(=O)[C@@H]3CCc4[nH]cnc4C3)CC2=O)cc1 225514833 BAPAQIOAKNCZKG-ZIAGYGMSSA-N 338.411 1.745 0 40 EDAB O=C1[C@@H](NC(=O)C2(C(=O)O)CC2)CCN1c1ccc(F)c(Cl)c1 191650375 WKIIEPUMCIMSIB-NSHDSACASA-N 340.738 1.565 0 40 EDAB O=C(c1ncn2c1CO[C@@H](c1ccc(Cl)cc1)C2)N1CCNCC1 85397332 HFEXYHFQAMGGMS-OAHLLOKOSA-N 346.818 1.853 0 40 EDAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 222558581 DMIHJEHMBQOQMB-GFCCVEGCSA-N 326.418 1.330 0 40 EDAB COc1cc2ncn(CCNC(=O)OC(C)(C)C)c(=O)c2cc1OC 94993174 KMDZEZFCXCYQSW-UHFFFAOYSA-N 349.387 1.938 0 40 EDAB C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1Cc1nc(N)nc(N(C)C)n1 96459471 HGUQTLPCZHYAIT-DVOMOZLQSA-N 342.447 1.870 0 40 EDAB Cc1noc([C@@H]2CCO[C@@H]3CCN(C(=O)c4cnoc4C)C[C@@H]32)n1 96066368 RZKRBJKUDLZYRM-MRVWCRGKSA-N 332.360 1.709 0 40 EDAB CC(C)N(C)C[C@H]1CO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 96078534 PXEFGEDBJFGAAP-YJBOKZPZSA-N 348.447 1.065 0 40 EDAB CCN(C)c1ncc2c(c1C(=O)O)CCN(Cc1cnn(C)c1)C2 96189229 FQIRHMQISJGZSH-UHFFFAOYSA-N 329.404 1.528 0 40 EDAB CCN1C[C@@]2(CC1=O)CN(Cc1nccs1)CCN(C(C)=O)C2 96036134 ZHTNXPMLDPRBMP-MRXNPFEDSA-N 336.461 1.046 0 40 EDAB COc1cc(N2CC[C@]3(CCC[C@H](CNC(=O)N(C)C)O3)C2)ncn1 96206629 ONSBYJMVYMNHGZ-CXAGYDPISA-N 349.435 1.274 0 40 EDAB CS(=O)(=O)C[C@]1(c2ccc(Cl)cc2Cl)OC[C@H](CO)O1 96531718 METLYINLHNHIRK-CABZTGNLSA-N 341.212 1.599 0 40 EDAB c1cncc(CN2CCOC[C@]3(CC[C@H](Cn4cncn4)O3)C2)c1 96160494 ZINWGRGBKGEKEB-SJORKVTESA-N 329.404 1.123 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CN2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)o1 579807238 UQVJTXLKLCASFT-AOLWHUPESA-N 325.430 1.791 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 96408580 OMKWIXAURKQOFK-CYBMUJFWSA-N 342.848 1.522 0 40 EDAB CCN1CC[C@@]2(CN(S(=O)(=O)Cc3ccccc3)C[C@H]2C)C1=O 96070281 FXOCRBHQSAUUTF-PBHICJAKSA-N 336.457 1.707 0 40 EDAB CC(C)[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1nnc2n1CCC2 96404825 IRJGTIYBJHACDX-INIZCTEOSA-N 346.479 1.847 0 40 EDAB O=C(c1csnn1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 96470983 HRMDLLSGESLSCN-LSDHHAIUSA-N 330.413 1.264 0 40 EDAB CCS(=O)(=O)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 96186173 DHLXDIXKAPTOEQ-JYJNAYRXSA-N 340.445 1.570 0 40 EDAB CC1=C(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)Cc2ccccc2O1 96427179 SCNLADDNPJZZGV-HZPDHXFCSA-N 328.412 1.875 0 40 EDAB CO[C@H]1C[C@@H](CO)N(C(=O)c2cnn(-c3ccc(F)cc3)c2C)C1 583619638 RINSCZOSGUZCJG-GJZGRUSLSA-N 333.363 1.542 0 40 EDAB Cc1ncoc1C(=O)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 96208269 HGFDJRZRUYOQAO-DYVFJYSZSA-N 329.356 1.546 0 40 EDAB O=C1[C@H](N2CCS(=O)CC2)CCCN1c1ccccc1Cl 96424189 HAHRDPDODPJIPF-CQSZACIVSA-N 326.849 1.900 0 40 EDAB O=C(NCc1ccccn1)[C@H]1CO[C@@H]2CN(Cc3cccs3)C[C@@H]21 96217335 RMANJGOTSYGAIA-IXDOHACOSA-N 343.452 1.906 0 40 EDAB Cc1cccc(CCC(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c1 581929020 VEDSKTWJPOJRMS-JKSUJKDBSA-N 337.441 1.342 0 40 EDAB C[C@@H](Oc1cccc(Br)c1)C(=O)NCC(C)(C)C(N)=O 96426241 UTBRNPUUGAXJOG-SECBINFHSA-N 343.221 1.844 0 40 EDAB CC(C)(CN[C@@H]1CCN(c2ccc(F)cc2F)C1)S(C)(=O)=O 96494358 SLBRLLNJOGMGOT-GFCCVEGCSA-N 332.416 1.956 0 40 EDAB C[C@H]1CC(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)C[C@H](C)C1 585090348 YZNPVYBEIFXVAF-GYSYKLTISA-N 337.395 1.252 0 40 EDAB O=C(/C=C/c1ccc(Cl)cc1)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@H]21 585080861 XVYLNFCTURRJER-BWXHHFSBSA-N 345.826 1.940 0 40 EDAB NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccccc1Cl 96462471 APKCVEFBOFZGOY-YPMHNXCESA-N 330.837 1.804 0 40 EDAB CCOC(=O)[C@](NC(=O)Cc1ccnn1C)(C1CCC1)C(F)(F)F 585125635 ZRLKQTVZFRALIS-CQSZACIVSA-N 347.337 1.743 0 40 EDAB CCn1cc(S(=O)(=O)N(C2CC2)C2(C(=O)OC)CCC2)cn1 585114480 DEWHLVCWWSOYDV-UHFFFAOYSA-N 327.406 1.152 0 40 EDAB CC[C@@H]1C(=O)NCCN1Cc1nnn(-c2ccccc2)c1C1CC1 585117600 MONNNZUUKBHFOK-MRXNPFEDSA-N 325.416 1.855 0 40 EDAB Cc1nccc(CNC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n1 252483717 FHHOKFFMCPVJJV-JKSUJKDBSA-N 330.363 1.942 0 40 EDAB Cc1nccc(C(=O)N2CCC3(CC(N(C)c4ccncn4)C3)C2)n1 257335474 YKHGRANVNOMGEF-UHFFFAOYSA-N 338.415 1.706 0 40 EDAB Cc1noc(C)c1-c1nccnc1C[C@H]1CCN(S(C)(=O)=O)C1 257280371 OKPBAPNMKLYFEH-GFCCVEGCSA-N 336.417 1.572 0 40 EDAB O=C(O)[C@H]1CC(=O)N(CCCN2CCOCC2)[C@H]1c1ccsc1 69819636 HTQUCFZYOGSTTI-ZFWWWQNUSA-N 338.429 1.445 0 40 EDAB CC(=O)Nc1cccc2c1N(S(=O)(=O)c1cn(C)c(C)n1)CCC2 69843815 ZUDGGIKFVIDENX-UHFFFAOYSA-N 348.428 1.828 0 40 EDAB COc1ccc(CC(=O)N(C)[C@@H]2CCC[C@@H](OC)[C@@H]2O)cc1F 257330400 XOFDWKUBZKSVQZ-FRFSOERESA-N 325.380 1.764 0 40 EDAB CN1CCN(C(=O)C2(c3ccccc3)CCCC2)C[C@@H](C(N)=O)C1 257328090 XEBQUDFOFKWWSA-HNNXBMFYSA-N 329.444 1.374 0 40 EDAB CN(C)[C@H]1[C@H](NCc2cccnc2)C[C@@H](Oc2ccccc2)[C@@H]1O 257289173 PXIIUPNRQXSYFU-YRXWBPOGSA-N 327.428 1.682 0 40 EDAB CNCC(=O)N1CCC(c2ccnc(Nc3ccccn3)n2)CC1 257219886 DIQIUFMKVKICRM-UHFFFAOYSA-N 326.404 1.541 0 40 EDAB CC(=O)N1CCCN(CC(=O)Nc2ccnn2C2CCCC2)CC1 27565256 CLTLEBXRBHNQDQ-UHFFFAOYSA-N 333.436 1.491 0 40 EDAB Nc1cnc(C[C@H]2CCCN(C(=O)CCCn3cncn3)CC2)cn1 257253386 JYSALUAOHVCREI-AWEZNQCLSA-N 343.435 1.302 0 40 EDAB Cc1nonc1CC(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 257240864 HVMNOAGFZZYCMQ-MRXNPFEDSA-N 331.376 1.443 0 40 EDAB Cc1cnc(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)s1 253473921 ZVSBPSJFPGTGBC-UHFFFAOYSA-N 341.400 1.502 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)Cc1c(C)n[nH]c1C 257313570 UTFRDNHPVYYWLJ-OAHLLOKOSA-N 343.431 1.528 0 40 EDAB O=C(NCCc1nccn1C(F)F)C(=O)N1CCCc2ccccc21 69528171 WWAYXKFGENRHEI-UHFFFAOYSA-N 348.353 1.916 0 40 EDAB Cc1ccc(O)c(C(=O)Nc2cnn(CCN3CCOCC3)c2)c1 69656927 VIIPCHWYQSWFMK-UHFFFAOYSA-N 330.388 1.482 0 40 EDAB CN(Cc1nccn1C)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 69660830 GWIJXQIWSGBDHG-ZDUSSCGKSA-N 336.461 1.470 0 40 EDAB Cc1nc(CN2CCCN(C(=O)c3ncccc3O)CC2)cs1 69739141 KHZRUEGGMIMUHT-UHFFFAOYSA-N 332.429 1.900 0 40 EDAB CC(C)[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(CC(C)(C)O)CC1 69703051 RPOFNUAHKDIMMA-CVEARBPZSA-N 342.480 1.122 0 40 EDAB CCCc1nnsc1C(=O)N1CC[C@H](OC)[C@]2(CCCO2)C1 257208915 BOBHLHPJNCHZKU-WFASDCNBSA-N 325.434 1.901 0 40 EDAB CCn1ncc(Br)c1C(=O)N(C)CCn1cccn1 1615548630 RWQFCNAOGRXDEH-UHFFFAOYSA-N 326.198 1.634 0 40 EDAB Cn1ncc(CNC(=O)N2CCC[C@H](c3cncn3C(C)(C)C)C2)n1 1615614078 FHAUJUNMOPWYSP-ZDUSSCGKSA-N 345.451 1.856 0 40 EDAB COC(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ncc(F)cn3)C2)cc1 390827394 GUJHVXJCSDIEFM-CQSZACIVSA-N 345.330 1.696 0 40 EDAB O=C(Cn1cnc2ccccc21)N1CC[C@H](Oc2ncc(F)cn2)C1 390828298 PXWIEBPZVMAWRF-ZDUSSCGKSA-N 341.346 1.645 0 40 EDAB Cn1cnc2c1[C@@H](C(=O)N1CC(F)(F)C1)CN(Cc1ccccc1)C2 585110823 LDJFUEYZQRXFIY-AWEZNQCLSA-N 346.381 1.997 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@H]2Cn2cccn2)CN1Cc1ccco1 71866430 IICVEJPCQBANIL-GJZGRUSLSA-N 342.399 1.516 0 40 EDAB O=C(NCCc1cn2ccccc2n1)N[C@@H]1CCN2CCCC[C@H]12 45426521 UOOQOPJNYNBRJQ-HZPDHXFCSA-N 327.432 1.803 0 40 EDAB CCCNC(=O)c1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc1Cl 56151701 IUVKQBIQKHIJAJ-VIFPVBQESA-N 346.836 1.851 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)NC1(c2cccc(Cl)c2)CC1 76934274 OCODHVHKVUXWSU-UHFFFAOYSA-N 342.848 1.176 0 40 EDAB CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)[C@@H]1CC(=O)N(C)C1 12145059 VQJJJSANQOGIIY-TZMCWYRMSA-N 329.404 1.050 0 40 EDAB O=C1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H](c2cccnc2)N1 12147989 QYPYMRNGDZNALI-SUMWQHHRSA-N 339.351 1.560 0 40 EDAB CCc1c(C)sc2nc(C(C)C)n3c(=O)n(CCC(N)=O)nc3c12 12182088 VQJCVGDSYAITNF-UHFFFAOYSA-N 347.444 1.975 0 40 EDAB O=S1(=O)CC[C@@H](NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 12739558 FZHKONYHLVEDDV-BFYDXBDKSA-N 339.457 1.218 0 40 EDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)c1ccn(C)n1)CC3 13226792 SABPOJQYDMQVOM-UHFFFAOYSA-N 343.412 1.198 0 40 EDAB CC[C@@H](C(=O)NCCCOC)N(c1ccc(F)cc1)S(C)(=O)=O 13715146 PCJSSQUBJQMZFU-AWEZNQCLSA-N 346.424 1.523 0 40 EDAB O=c1nc(NCCCN2CCOCC2)[nH]nc1Cc1ccc(F)cc1 16806917 AAIZNCPVOAWDBO-UHFFFAOYSA-N 347.394 1.029 0 40 EDAB CC1CCC(N2CCc3nc(N4CCOCC4)[nH]c(=O)c3C2)CC1 19495956 XPADKAORJITTIO-UHFFFAOYSA-N 332.448 1.543 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCO[C@](C)(C(=O)NC3CCCC3)C2)n1 19746847 ZMSGYBCAYKDZSV-SFHVURJKSA-N 348.447 1.176 0 40 EDAB CN(C)CCN(C)C(=O)C(=O)Nc1ccc(N(C)C)c(Cl)c1 154737234 IDILRJSVJDSVAE-UHFFFAOYSA-N 326.828 1.365 0 40 EDAB CC(C)OCC(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 585126434 YZMYLBACZXFLDR-QHCPKHFHSA-N 341.433 1.765 0 40 EDAB NC(=O)c1cc(NC(=O)c2ccc3ncsc3c2)cc(C(N)=O)c1 3404750 SMFXGGWWQQSRAH-UHFFFAOYSA-N 340.364 1.746 0 40 EDAB COC[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 1202638836 ZQCXWSUNHXERLO-QGZVFWFLSA-N 341.411 1.817 0 40 EDAB c1cnc(N2C[C@H]3CN(Cc4nc5c(s4)CCC5)C[C@@H]3C2)nc1 1888844184 VBBXMFNMJTWXPH-CHWSQXEVSA-N 327.457 1.990 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCN(C2CCOCC2)C1 1888853884 QMIGSWCXLPVXSI-CQSZACIVSA-N 342.436 1.666 0 40 EDAB Cc1nnc(N2CC(NS(=O)(=O)c3ccc(F)cc3C)C2)s1 1888869918 FEYDBSFFVDRSJT-UHFFFAOYSA-N 342.421 1.461 0 40 EDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)no1 24656218 BFBCGQZMVGQUJW-JTQLQIEISA-N 329.312 1.703 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](c2ncon2)C1 238852142 JNRUCEZXFKOJOM-VIFPVBQESA-N 343.792 1.910 0 40 EDAB O=C(CN1CCOCC1)N1CCC[C@](O)(COc2ccccc2)CC1 2037909026 NJVSTHDSNBPWKM-LJQANCHMSA-N 348.443 1.141 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cccnc5)C[C@H]4C3)n1)CCC2 2086964093 NIAKURBDNXUNEW-HZPDHXFCSA-N 349.438 1.877 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 1565547733 NAZPXXATXSCMKD-UHFFFAOYSA-N 340.420 1.760 0 40 EDAB Cc1ccc(NC(=O)CSc2nnc3[nH]c(=O)ccn23)c(C)c1 4249785 UWKFBEXTGYIRDP-UHFFFAOYSA-N 329.385 1.765 0 40 EDAB COc1ccc(C(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 4504432 SIGSJWXCDWIZKP-CQSZACIVSA-N 325.430 1.981 0 40 EDAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@@H]3CCCO3)cc21 5252434 VUIDWMNVJZTEGE-HNNXBMFYSA-N 345.399 1.219 0 40 EDAB O=C(C1CC=CC1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772611 DCFCPNBTVAFANR-UHFFFAOYSA-N 328.416 1.399 0 40 EDAB Cc1ncnc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)c1C 2086881880 SMIVBRLDPUKJDR-ZDUSSCGKSA-N 340.374 1.556 0 40 EDAB O=C(Cc1csc(NC(=O)c2cnccn2)n1)Nc1cccnc1 36657942 FKPWOHBFBKBLQO-UHFFFAOYSA-N 340.368 1.762 0 40 EDAB O=S(=O)(c1cccnc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575612277 KXRDQFDQBBYILT-LLVKDONJSA-N 340.792 1.367 0 40 EDAB COC1CCN(C2CN(C(=O)Cc3ccc4c(c3)OCO4)C2)CC1 575611037 RRXAZDIQJBSHLL-UHFFFAOYSA-N 332.400 1.279 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585147899 GSMHKUKGVURWSD-CQSZACIVSA-N 342.351 1.245 0 40 EDAB Cc1cc(=O)n2nc(CC(=O)Nc3cccc4ncccc34)nc2[nH]1 95346311 UBOWBWKEBPTXGV-UHFFFAOYSA-N 334.339 1.455 0 40 EDAB CCCNC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)[C@H](C)CC 35877010 OFWOJJAXANOARW-XOKHGSTOSA-N 331.460 1.758 0 40 EDAB Cc1occc1C(=O)Nc1ccc2c(c1)C(=O)N(CC(=O)O)C2=O 20096645 IXZHFVULACEZPR-UHFFFAOYSA-N 328.280 1.521 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O 30972087 IAGCSFZAJFIFIL-KRWDZBQOSA-N 347.321 1.953 0 40 EDAB C[C@H]1CN(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)C[C@@H](C)O1 40487998 OSJFRWSTRRHISM-AXFHLTTASA-N 330.372 1.615 0 40 EDAB COc1cccc(CS(=O)(=O)[C@@H](C)C(=O)NC[C@H]2CCCO2)c1 40528806 FDUVFAIDGNXUAM-SWLSCSKDSA-N 341.429 1.294 0 40 EDAB Cn1c(=O)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c1=O 20759438 GYWLMQZJRJLJCH-CYBMUJFWSA-N 346.774 1.149 0 40 EDAB biogenic O=C(NCCN1CCCCCC1=O)c1cc2ccccc2c(=O)[nH]1 32309235 PAMBKQSCCMNAQA-UHFFFAOYSA-N 327.384 1.661 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)O[C@@H]2CCCCC2=O)cc1 21483211 GRBMCTMRWOIFJU-OAHLLOKOSA-N 339.413 1.582 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 32845816 JWDHFEHLNXUYGA-JTQLQIEISA-N 340.807 1.685 0 40 EDAB COC(=O)c1cc(NC(=O)CCCCCNC(N)=O)ccc1F 32903646 UJBSTIAFUVYDAV-UHFFFAOYSA-N 325.340 1.780 0 40 EDAB CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccnc1 33145538 ZTEGUVVPOCLYAW-UHFFFAOYSA-N 339.804 1.994 0 40 EDAB Cc1cc(C)c(-n2nnn([C@@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)c(C)c1 103000116 ZILGJTVKUBMBFG-KYOSRNDESA-N 346.412 1.979 0 40 EDAB COCCOc1ncccc1C(=O)N[C@@H]1CCCc2c1cnn2C 53462741 TYIXNIXCVOZCSO-CQSZACIVSA-N 330.388 1.648 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)NCC(=O)OCc1ccccc1 22738344 FLBANEVMVPUYJR-UHFFFAOYSA-N 340.335 1.454 0 40 EDAB COc1ccccc1Cn1c(=O)[nH]c2cc(C(=O)O)ccc2c1=O 40478873 AIJICLYBBNUDDC-UHFFFAOYSA-N 326.308 1.445 0 40 EDAB CCCn1c(=O)c2c(nc(Br)n2CCC)n(C)c1=O 501253 DATUDYKWTCYSMM-UHFFFAOYSA-N 329.198 1.479 0 40 EDAB CC(C)[C@H](NC(N)=O)C(=O)NCCc1cnn(-c2ccccc2)c1 11147648 ZYKHOXAWCUOLPJ-HNNXBMFYSA-N 329.404 1.224 0 40 EDAB C[C@H]1CCCN(C(=O)c2c(I)cnn2C)C1 2734114 LJCDLXIUQOVQPR-QMMMGPOBSA-N 333.173 1.897 0 40 EDAB CC(=O)N1CCN(C(=O)Cc2csc(-c3cccnc3)n2)CC1 31865078 CDYRZMNDDAPORO-UHFFFAOYSA-N 330.413 1.438 0 40 EDAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NCCNC(C)=O)c1 11436491 ATJRYFUMYXRQKG-MRXNPFEDSA-N 349.431 1.093 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N(C)C3CCCCC3)nc2n1 3542208 NLEDOJBESHSOAM-UHFFFAOYSA-N 345.403 1.689 0 40 EDAB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)NC(N)=O 6951640 MGLUEGIDHRSEQI-LCYFTJDESA-N 328.372 1.787 0 40 EDAB O=C(NCCC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 32787891 LSJYAYUZMIAMFF-UHFFFAOYSA-N 329.444 1.893 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CC[C@@H]1CCCO1 46321236 DYNQXPVPHJCEHL-OCCSQVGLSA-N 340.445 1.813 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C1 41132532 FXTSUCYZQVYSCO-LLVKDONJSA-N 333.388 1.826 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 10511430 FULFFDUBPBXAHZ-HNNXBMFYSA-N 333.365 1.869 0 40 EDAB O[C@H](CN1CCc2ccccc2C1)CN1CCC[C@@H]1Cn1cncn1 75132590 OLAYLFAWINRZBO-RTBURBONSA-N 341.459 1.162 0 40 EDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@H](O)COCc1ccccc1F 102891054 BMYBLDKAMZLJRA-SOUVJXGZSA-N 335.375 1.878 0 40 EDAB CC(C)(C)OC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 21658452 MGGSTMRCTQAAMY-UHFFFAOYSA-N 344.415 1.976 0 40 EDAB O=C1C[C@@H]2OCC=C3CN4C(=O)C[C@@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]46 101856242 XFSGWRONALENOC-BKNSOUJMSA-N 348.402 1.619 0 40 EDAB O=S(=O)(Nc1ccc(-c2nnn[nH]2)cc1)c1cccc(F)c1F 103059371 AWNYMUDGRVINGM-UHFFFAOYSA-N 337.311 1.946 0 40 EDAB Cc1cccc(C)c1OCCNC(=O)N1CCC(CC(N)=O)CC1 46939613 YINIACCZTMCOQV-UHFFFAOYSA-N 333.432 1.979 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NC[C@H]1CCCO1 100217052 QYSAUTNKEUMJHA-BVSJBKOGSA-N 328.368 1.369 0 40 EDAB Cc1ccccc1Cn1cnc(NS(=O)(=O)c2cnn(C)c2)n1 2804089 BITLQFKSSZWENL-UHFFFAOYSA-N 332.389 1.169 0 40 EDAB C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NC1CC1 22225126 NADUWMRJITXZRK-VIFPVBQESA-N 329.447 1.091 0 40 EDAB Cc1cc2nc(SCC(=O)NCc3ccc(C)o3)n(C)c(=O)c2[nH]1 57522164 SDXYKAYLRANMCU-UHFFFAOYSA-N 346.412 1.880 0 40 EDAB CC(C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 3045939 VZROLWUSYIODGL-UHFFFAOYSA-N 349.250 1.642 0 40 EDAB Cc1nnc(C[C@H]2OC[C@H]3CN(C(=O)Cc4ccco4)CC[C@H]32)[nH]1 108524908 LFQUMARBSSEKIE-BPLDGKMQSA-N 330.388 1.355 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)n1 54121502 JDVCMYBHGKCNFM-UONOGXRCSA-N 346.431 1.875 0 40 EDAB Cc1nc(COc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc2)no1 42479896 JPPVUULCBFBGBP-CQSZACIVSA-N 344.371 1.356 0 40 EDAB CN(C)C(=O)CN1C(=O)[C@H]2CCc3[nH]c4ccccc4c3[C@@H]2C1=O 104612505 WENJLFXQUOXWAM-MEDUHNTESA-N 325.368 1.271 0 40 EDAB Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cn1 104765809 CWTSAMKSTQBOEL-UHFFFAOYSA-N 348.472 1.705 0 40 EDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccccn2)C1=O 23746412 FELGXVNSVXTRHU-QGZVFWFLSA-N 342.330 1.626 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)COC)cc1 24061380 PGCUPUBBYUSPDD-LBPRGKRZSA-N 328.434 1.541 0 40 EDAB NC(=O)NCc1ccc(C(=O)OCc2ccc3c(c2)OCO3)cc1 43013072 ZMPHEHLAVOPSEC-UHFFFAOYSA-N 328.324 1.941 0 40 EDAB CCOc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1 24689686 VEXJLWOVISLRKP-AWEZNQCLSA-N 340.445 1.629 0 40 EDAB Cc1cc2n(n1)C[C@H](CNC[C@@H](O)CO[C@H](C)c1ccccc1)CN2 106188037 YVMHKCCLAPZDNQ-JFIYKMOQSA-N 344.459 1.962 0 40 EDAB Cc1ccc(CNC(=O)CNC(=O)c2c(C)nn(C)c2Cl)cc1 1396368 BRMCRQZODCKXKU-UHFFFAOYSA-N 334.807 1.737 0 40 EDAB Cc1nc2ccc(C(=O)N3CCN(C(=O)C4CC4)CC3)cc2nc1C 24991786 LJSGUSVZKNXEJP-UHFFFAOYSA-N 338.411 1.941 0 40 EDAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2)n2nnnc2N1 1465256 MQFHGVUFNDWZPC-OAHLLOKOSA-N 333.355 1.996 0 40 EDAB CC(C)c1cc(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)n[nH]1 68896510 GDOHENUOYXCESP-UHFFFAOYSA-N 341.415 1.963 0 40 EDAB O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCO[C@H]2CCC[C@@H]21 56194958 JNOLQNCHGDWGLO-HOTGVXAUSA-N 343.358 1.765 0 40 EDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N1CCC(C)CC1 25952350 OKAVCDSOSAHXRK-UHFFFAOYSA-N 343.431 1.636 0 40 EDAB O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCOC[C@@H]1C1CC1 89976557 RJRMSKAVXMKZFE-CYBMUJFWSA-N 331.397 1.463 0 40 EDAB CS[C@H]1CN(c2c(C)c(C)nc3ncnn23)C[C@@H]1N1CCCC1 108398536 QGNGPGDFQABHID-KBPBESRZSA-N 332.477 1.757 0 40 EDAB CN(C)CCCOC(=O)c1ccccc1C(=O)OCCCN(C)C 1898995 JIDOJZSUXJZQEH-UHFFFAOYSA-N 336.432 1.904 0 40 EDAB CCN(CC(=O)NC)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 58195582 AIHHAZXUTKLNHJ-UHFFFAOYSA-N 338.351 1.770 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CN1CCCC1=O)c1ccc(F)cc1 44890802 RMOKOQDJAIZRAV-INIZCTEOSA-N 330.363 1.387 0 40 EDAB CCc1c(C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)csc1C 2112332 UMYTWNNDLRIQMO-MPZDIEGVSA-N 334.397 1.426 0 40 EDAB O=C(NCCCn1ccnc1)[C@H]1CC(=O)N(c2ccccc2F)C1 44998329 MGBHMMNNZLDWTO-ZDUSSCGKSA-N 330.363 1.582 0 40 EDAB NC(=O)CC1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1 58394806 OQNOPDXRNRJSIX-AWEZNQCLSA-N 347.415 1.388 0 40 EDAB O=C(CNC(=O)c1cnc(-c2ccccc2)nc1)NCc1ccco1 58412243 ZWTJYODTRKEFTQ-UHFFFAOYSA-N 336.351 1.783 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Cn1ccc(=O)c2ccccc21 58421684 ALGQSGXIHOZWQN-OLZOCXBDSA-N 329.400 1.421 0 40 EDAB CN(C)C(C)(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 45137169 PKVKIUNVTJYDGT-MRXNPFEDSA-N 343.471 1.985 0 40 EDAB NS(=O)(=O)N1CCc2ccc(NC(=O)/C=C/c3ccsc3)cc21 58551535 ZGJSRKNINCBJDN-DAFODLJHSA-N 349.437 1.966 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(c2ncccc2Cl)CC1 48293720 HIHIKIOYBGUVOJ-UHFFFAOYSA-N 347.850 1.977 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2ccc(C=O)cc2)NC(=O)N[C@@H]1C 12822441 QRNCMFGYDVGVBN-SNVBAGLBSA-N 346.339 1.174 0 40 EDAB O=C1CNC(=O)N1CCSCc1cc(Cl)c2c(c1)OCCO2 12934244 OMQDPHUYYQFWKS-UHFFFAOYSA-N 342.804 1.896 0 40 EDAB C[C@H](C(=O)NCCC1=CCCCC1)N1CCO[C@H](Cn2cncn2)C1 70038581 BHEIXGOQHKKLGK-WBVHZDCISA-N 347.463 1.374 0 40 EDAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(c2ccccn2)CC1 13096974 FZWORDPGIZRVHX-OAGGEKHMSA-N 332.448 1.228 0 40 EDAB Cc1cc([C@](C)(O)CNC(=O)[C@H]2CCCN2c2ncccn2)c(C)o1 81818860 WBYGAFCPEOEJRW-CRAIPNDOSA-N 344.415 1.679 0 40 EDAB O[C@H](COc1ccc(F)cc1)CN1CCO[C@@H](Cn2cccn2)C1 69392540 CCHGSOVWTSCWBZ-DOTOQJQBSA-N 335.379 1.163 0 40 EDAB C[C@@H](CCc1ccco1)NS(=O)(=O)c1ccc(O)c(C(=O)O)c1 13198562 FDRAJLILOFPUOO-JTQLQIEISA-N 339.369 1.983 0 40 EDAB COc1ccc(C)cc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 13141478 RJAZHXSHWAACSA-STQMWFEESA-N 328.368 1.893 0 40 EDAB COCCn1cnnc1SCC(=O)Nc1ccc(Cl)cn1 39579548 JMJQGZVNJFDVAO-UHFFFAOYSA-N 327.797 1.704 0 40 EDAB Cc1ccc(OCC(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)c(C)c1 4302860 MGZWGTPDEXBMSN-INIZCTEOSA-N 325.430 1.718 0 40 EDAB CCN(Cc1c(F)cccc1F)C(=O)c1ccc(S(N)(=O)=O)o1 69529842 SXTFDVLDVMZSHD-UHFFFAOYSA-N 344.339 1.868 0 40 EDAB Cn1nnnc1S[C@H](C(N)=O)c1ccc(Br)cc1 69568913 GGYUCILJZAALON-QMMMGPOBSA-N 328.195 1.291 0 40 EDAB CN(C)C(=O)Cn1ccc2cc(NC(=O)Cn3cccn3)ccc21 65317886 GYIQXKCIMUSKRG-UHFFFAOYSA-N 325.372 1.565 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 69515221 KEEPAYPSYWSCCA-UHFFFAOYSA-N 349.815 1.978 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 65467187 AWGACFZKMFKESA-ZIAGYGMSSA-N 330.432 1.414 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N[C@H]3CCc4nccn4C3)cnc12 65464797 XWIPOIPZSJURDJ-ZDUSSCGKSA-N 337.383 1.033 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2ccn(-c3ccccc3)n2)C[C@@H](C)O1 65402626 KCKGYFRXWSBKPC-HUUCEWRRSA-N 328.416 1.711 0 40 EDAB CN1CCc2ncnc(N(C)Cc3ccc4c(c3)OCCO4)c2C1 65475855 AGVMNYWKZSOOLR-UHFFFAOYSA-N 326.400 1.872 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)N1C(=O)N[C@H](Cc2ccccc2)C1=O 65562426 ATZNSISDOMZKRX-HZPDHXFCSA-N 337.379 1.246 0 40 EDAB Cc1ccc(NC(=O)CN2CCCC[C@H]2C(=O)N2CCOCC2)cc1 65620576 XXBSJPCMRNRBED-KRWDZBQOSA-N 345.443 1.647 0 40 EDAB CCOc1ccc([C@@H]2CCCN2C(=O)Cn2[nH]c(=O)ccc2=O)cc1 65612085 MQHFTTDXKPLLBW-HNNXBMFYSA-N 343.383 1.299 0 40 EDAB COc1ccnc(N2CCN(C(=O)CCc3ccncc3)CC2)n1 65623746 XHEGPEMLVVTPIS-UHFFFAOYSA-N 327.388 1.162 0 40 EDAB CCS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)CC)cc1 69623730 JOONJAGEUKLMSZ-UHFFFAOYSA-N 348.446 1.036 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(Cc2nc(N)c3ccccc3n2)CC1 69621842 NSANFWLCKCBQTP-INIZCTEOSA-N 343.475 1.737 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ncc(C)s1 69743671 XMDHMPYCSCAIHQ-GFCCVEGCSA-N 345.490 1.314 0 40 EDAB O=C([C@@H]1CCCCN1C(=O)COc1ccccc1)N1CCOCC1 66485947 YRGJYCRAHIQFTQ-INIZCTEOSA-N 332.400 1.305 0 40 EDAB NS(=O)(=O)NC[C@@H]1CCCN(Cc2cccc3cccnc23)C1 69897465 NNXWZYIKPZZMDE-ZDUSSCGKSA-N 334.445 1.240 0 40 EDAB COc1cccc(N2CC[C@@H](CNC(=O)NC[C@@H]3CCOC3)C2)c1 69876504 NPHPYHXJPGSNRR-GJZGRUSLSA-N 333.432 1.857 0 40 EDAB Cc1cccc(NC(=O)CNC(=O)C(=O)NCc2cccs2)c1C 8735238 WIRRXWOJGQKNHZ-UHFFFAOYSA-N 345.424 1.736 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)N(C2CC2)[C@H]2CC(O)=NC2=O)cc1 69924630 BQDJJKUFVKZOSO-MDDUGHTDSA-N 342.351 1.733 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CSc2nc(N)cc(N)n2)c1 18541036 CFOYCFHBHOCXBT-UHFFFAOYSA-N 339.446 1.184 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 89904237 UGUYXLFFIFXOBB-PBHICJAKSA-N 342.395 1.754 0 40 EDAB NC(=O)c1cccc(OCC(=O)N2CCC[C@H](n3cccn3)C2)c1 71924411 WDKITEGZMXLETD-AWEZNQCLSA-N 328.372 1.225 0 40 EDAB O=C(NCc1ccncc1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060495 BAUOAYNIOCZRDY-ZDUSSCGKSA-N 337.387 1.281 0 40 EDAB CCCn1nnnc1CN(C)[C@@H]1CCCN(c2ccccc2)C1=O 71909077 USZKCWOSXWXZFS-OAHLLOKOSA-N 328.420 1.711 0 40 EDAB COc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c(C(=O)O)cc1OC 71280100 TVSWPPPVFDBABX-NEPJUHHUSA-N 337.328 1.697 0 40 EDAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(c4ncc(F)cn4)C[C@@H]23)n1 306126269 DRDYVFIJJOWCGM-QEJZJMRPSA-N 345.378 1.634 0 40 EDAB C[C@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@H]1N1CCOCC1 76054261 CWZCOAWCCMMHCH-SWLSCSKDSA-N 340.370 1.523 0 40 EDAB O=C(NCCN(C(=O)c1ccc(F)cn1)C1CC1)c1ccc(F)cn1 96010469 SQYBXAZJCZZGQD-UHFFFAOYSA-N 346.337 1.789 0 40 EDAB Cc1ccc(NC(=O)NN2CC(=O)N(C)C2=O)cc1Br 96006810 XTLRINUZNFKXJQ-UHFFFAOYSA-N 341.165 1.688 0 40 EDAB O=C(NCCNC(=O)N1CC[C@@H](c2ccccc2)C1)c1ccn[nH]1 96002217 DWWSVNNWXYPTJN-CQSZACIVSA-N 327.388 1.339 0 40 EDAB C[S@@](=O)C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1ccccc1 76093821 ARIVCXOOQNZLIV-GYCJOSAFSA-N 344.436 1.713 0 40 EDAB Cc1cscc1C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 96466428 DRXSFKITDZECPC-ZDUSSCGKSA-N 344.502 1.638 0 40 EDAB CCN1C[C@@H](NS(=O)(=O)Cc2cccc3cccnc23)[C@H](C)C1 76058592 KHUPSOQEMDQTFE-CZUORRHYSA-N 333.457 1.994 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC)C2 71864864 RQCIHLKZABRUDZ-ZIAGYGMSSA-N 326.400 1.995 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)COc1ccc2c(c1)OCO2 71828315 FBEBAUQRLFSHOB-LLVKDONJSA-N 348.355 1.020 0 40 EDAB CC[C@@H]1C(=O)NCCN1C(=O)NCC1(c2ccc3c(c2)OCO3)CC1 72270211 VGHGOCHKTLLDEK-CYBMUJFWSA-N 345.399 1.367 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)no1 72231982 SHHIDTXKLJEOCB-GFCCVEGCSA-N 342.355 1.692 0 40 EDAB O=C1NC(=O)[C@@]2(CCN(C(=O)CCCCCc3cccs3)C2)N1 72290674 SPPHXLDUOPLQPI-INIZCTEOSA-N 335.429 1.662 0 40 EDAB COC[C@@](C)(CNC(=O)c1cscn1)NC(=O)c1cscn1 72283533 LAASKIZNEYOCJJ-CYBMUJFWSA-N 340.430 1.165 0 40 EDAB Cc1ccc(N2CC[C@@H](NCc3nnc4n3CCCC4)C2=O)cc1 72299684 XCEWFJUKTDZYBI-OAHLLOKOSA-N 325.416 1.818 0 40 EDAB Cc1ccc(NC(=O)C(=O)NCCCc2nnc3ccccn23)cc1 72286814 NJJLDWCVAHYORK-UHFFFAOYSA-N 337.383 1.725 0 40 EDAB COCCN1[C@@H](C)CN(C(=O)C[C@](C)(O)c2ccccc2)C[C@H]1C 97079694 MYPDMRVQRLQGEU-FCEWJHQRSA-N 334.460 1.852 0 40 EDAB 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1.186 0 40 EDAB CNc1cc(N2CCC[C@H]2CNC(=O)C2(O)CCCCC2)ncn1 128912970 WDYCQKGZEDMGPA-ZDUSSCGKSA-N 333.436 1.299 0 40 EDAB COCC(=O)Nc1ccc([C@H]2NC(=O)c3ccc(C)nc3N2C)cc1 72341162 XZHDFVDNKYJFAY-INIZCTEOSA-N 340.383 1.853 0 40 EDAB Cc1ccc(CS(=O)(=O)N[C@H](C(=O)O)c2cnn(C)c2)c(F)c1 566311136 ADXMGXHNBQHVAE-ZDUSSCGKSA-N 341.364 1.113 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1 72237970 RPUUXGBTRBENNT-IRXDYDNUSA-N 325.368 1.296 0 40 EDAB C[C@@H](NCCN1C(=O)CNC1=O)c1ccc(Br)cc1F 129690559 WPEADPCMBQZRQI-MRVPVSSYSA-N 344.184 1.791 0 40 EDAB Nc1nc(=O)n(CC(=O)NCc2ccco2)c2sc3c(c12)CCC3 71282528 LFRZEZQDTLTSQC-UHFFFAOYSA-N 344.396 1.438 0 40 EDAB CO[C@H]1CCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2Cc2nc(C)[nH]c(=O)c2C3)C1 72373135 IYUNEDYNIVDOGX-BARDWOONSA-N 345.443 1.742 0 40 EDAB CCOC(=O)C1(C(=O)OCC)NCC[C@H]1c1ccc2c(c1)OCO2 31947158 CIIYITNROQRYQG-LBPRGKRZSA-N 335.356 1.357 0 40 EDAB C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccco2)CC3)C[C@@H](C)O1 72335461 XZXNHUPHSJLHJB-CHWSQXEVSA-N 344.415 1.947 0 40 EDAB O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc(N2CCC(O)CC2)cc1 73476738 HQTXVAWRYXIKHK-QGZVFWFLSA-N 343.471 1.862 0 40 EDAB COCCn1ccc2nc3ncnn3c(-c3ccc(F)cc3)c2c1=O 40398293 FOFZWQOWKYYIQW-UHFFFAOYSA-N 339.330 1.892 0 40 EDAB CN(C)Cc1ccc(CNC(=O)N2CC[C@H](CN(C)C)C2)cc1F 130477410 HBSQOHMTGKTGPV-OAHLLOKOSA-N 336.455 1.980 0 40 EDAB CCN1C(=O)COc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc21 227161969 VVMLJLCJDAYKCU-GFCCVEGCSA-N 338.429 1.853 0 40 EDAB COc1cccc(N(C)C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 222558800 IYFGGCURRWJVOX-LBPRGKRZSA-N 326.418 1.330 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(C)C)ccc1OC 225209564 GIEQNUWRURFVRO-NSHDSACASA-N 328.434 1.768 0 40 EDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 225078030 PKIZFPVJTIHXBA-YWPYICTPSA-N 348.424 1.807 0 40 EDAB Cc1cccn2c(O)c(C(=O)NCc3ccc(F)cc3)c(=O)nc12 136836620 GKIATPKNNKWGRJ-UHFFFAOYSA-N 327.315 1.778 0 40 EDAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H](Oc2cccnn2)C1 225457970 QOPYLAASCSNHBY-ZDUSSCGKSA-N 337.376 1.848 0 40 EDAB 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NC(=O)N[C@@H](CC(=O)N1CCC[C@@H](n2cccn2)C1)c1cccs1 69421228 CLVVPVPOIJXPBS-OLZOCXBDSA-N 347.444 1.908 0 40 EDAB Cc1cc(C(=O)NC2CCN(CC(=O)O)CC2)nc2ccccc12 1614994687 GOCFBWSXQCCWKQ-UHFFFAOYSA-N 327.384 1.822 0 40 EDAB CN(C)c1ncnc2c1CN(C(=O)c1ccc(C(=O)O)cc1)CC2 1615046789 VLPRBLMZAJACCM-UHFFFAOYSA-N 326.356 1.439 0 40 EDAB CC1CC(NS(=O)(=O)c2cnc(N3CCOCC3)c(Cl)c2)C1 1615046008 RFJAGULBALNNJE-UHFFFAOYSA-N 345.852 1.648 0 40 EDAB Cc1ccc(Cl)c(S(=O)(=O)N[C@@]2(CC(=O)O)CCOC2)c1 1600425276 OFRSPFRQMHFXAH-CYBMUJFWSA-N 333.793 1.561 0 40 EDAB CN(C(=O)COC(=O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 5111992 LOWIRHCQIDEDIZ-LBPRGKRZSA-N 345.804 1.142 0 40 EDAB Cc1noc([C@@H]2C[C@H](NS(=O)(=O)c3cccs3)CN2C)n1 12530050 BBGRKPZXNMHVFX-UWVGGRQHSA-N 328.419 1.163 0 40 EDAB biogenic,in-vitro COCC(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2C)CC1 225548217 IUIYLWZPPZJLEH-UHFFFAOYSA-N 344.415 1.297 0 40 EDAB O=C(NCc1nnc2c(C(F)(F)F)cccn12)N1CCOCC1 575607302 ZFPGAKSOPOGVBP-UHFFFAOYSA-N 329.282 1.290 0 40 EDAB O=S(=O)(c1cnc[nH]1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888869779 PRGAYTAYAXVDNK-NSHDSACASA-N 349.416 1.167 0 40 EDAB COc1cc(N2CCN(c3nc(C)nc4cnccc34)CC2)ncn1 1889139394 AUSIIIULSXPTQW-UHFFFAOYSA-N 337.387 1.458 0 40 EDAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC(n2nccn2)C1 1849488691 NSSMIGMERVYMHL-UHFFFAOYSA-N 332.307 1.543 0 40 EDAB COc1ccc(Br)cc1CN(C)S(=O)(=O)N(C)C 27947422 PRXMKZLLSOLQQT-UHFFFAOYSA-N 337.239 1.696 0 40 EDAB O=S(=O)(N[C@H]1CCNC1)c1ccc(Cl)c(C(F)(F)F)c1 52093619 KXKIWWZBOFKUNI-ZETCQYMHSA-N 328.743 1.999 0 40 EDAB CC(=O)N(C)Cc1nn(C(C)C)c2c1CN(C(=O)[C@@H]1CCOC1)C2 1614940050 DMTAEIMCXKNSFB-CYBMUJFWSA-N 334.420 1.321 0 40 EDAB Cc1ccc(N2CCC[C@@]3(CN(C(=O)C4(F)CC4)CCO3)C2)nn1 1615103393 PLUYZZIXPHHUJV-INIZCTEOSA-N 334.395 1.485 0 40 EDAB COc1cnc(O[C@H]2CCN(CC(=O)Nc3ccc(F)cc3)C2)nc1 2087067215 MQHFGNLBYYAZPP-AWEZNQCLSA-N 346.362 1.716 0 40 EDAB O=C(C1CC(F)C1)N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 1565545499 HLPGQSBZJACDBS-UHFFFAOYSA-N 330.425 1.197 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2c(C)nc3ncnn3c2O)cc1C 9560715 YJGGTFWKJBUBAH-UHFFFAOYSA-N 333.373 1.556 0 40 EDAB Cc1cc(-c2nnc(NC(=O)[C@@H]3COc4ccccc4O3)o2)n(C)n1 13614729 FKQXQOAXHODBLD-ZDUSSCGKSA-N 341.327 1.557 0 40 EDAB CCNC(=O)C(=O)NCCCCN1CCO[C@@H](c2ccccc2)C1 17296707 LBLJKEMXKWVNLV-MRXNPFEDSA-N 333.432 1.092 0 40 EDAB COCCN1CCO[C@@H]2CCN(C(=O)c3csc(C)n3)CC[C@H]21 2055745831 GFNPHZSHNDDMMA-HUUCEWRRSA-N 339.461 1.403 0 40 EDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)C2CC(F)(F)C2)C1 2055771837 DKCKAJTWVSXOBH-HNNXBMFYSA-N 340.374 1.334 0 40 EDAB C[C@H](C(=O)c1ccc(Cl)cc1)c1cnc2n(C)c(=O)[nH]c(=O)n12 28527300 FTOSSXSUEPFRDI-QMMMGPOBSA-N 332.747 1.361 0 40 EDAB CN([C@@H]1CCCN(c2ccnc(C3CC3)n2)C1)S(=O)(=O)C1CC1 2086889345 MUXSREXIIKRDKC-CYBMUJFWSA-N 336.461 1.747 0 40 EDAB O=C(Cn1ncccc1=O)NCc1cccnc1-c1cccs1 225761243 CWRFGPTXRAWSTJ-UHFFFAOYSA-N 326.381 1.683 0 40 EDAB COc1ccc(/C=C/C(=O)NCc2nc(OC)nc(N(C)C)n2)cc1 575605673 CXWPBRUTRSIPHA-JXMROGBWSA-N 343.387 1.284 0 40 EDAB COc1nc(CNC(=O)/C=C/c2cc(F)ccc2F)nc(OC)n1 575608380 SROUYHONNNTXTG-ZZXKWVIFSA-N 336.298 1.497 0 40 EDAB COc1ccc(C(=O)N[C@@H]2CCc3nc(N(C)C)ncc3C2)cc1F 606440849 WLHNDYSISGAKKB-CYBMUJFWSA-N 344.390 1.978 0 40 EDAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCS(=O)(=O)C2)cc1F 11010616 OMNBKZVOTJRFEX-MNOVXSKESA-N 343.376 1.439 0 40 EDAB Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCS(=O)(=O)C2)cc1F 11010609 OMNBKZVOTJRFEX-WDEREUQCSA-N 343.376 1.439 0 40 EDAB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC(C)=O 809705 WRYILHLJEGIGGN-OAHLLOKOSA-N 348.355 1.812 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN1CCCN(C(C)=O)CC1 11419815 NVZMGABTMXYUQT-UHFFFAOYSA-N 345.443 1.529 0 40 EDAB CC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)c1ccccc1OC 31615546 SXLGSQCEOGNJEL-CQSZACIVSA-N 345.399 1.580 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 40508520 HKPOJFQJLLXLGU-JSGCOSHPSA-N 327.388 1.265 0 40 EDAB CCOc1ccc([C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1OC 40528046 FVYWKLMOAFCXSH-NSHDSACASA-N 339.417 1.867 0 40 EDAB Cc1cc(C)n2nc(C(=O)Nc3cccnc3N3CCCC3)nc2n1 40536337 MLKKWLRGPXDYBL-UHFFFAOYSA-N 337.387 1.989 0 40 EDAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 100823232 YMMLFBCDEFGFAP-HNNXBMFYSA-N 330.384 1.594 0 40 EDAB O=C1CN(c2ccc(NC(=O)c3cccc4cn[nH]c34)cn2)CCN1 31718207 UKDYKHNGVNZBRS-UHFFFAOYSA-N 336.355 1.146 0 40 EDAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 3453942 LWARZHCBOZLZEI-GFCCVEGCSA-N 345.424 1.724 0 40 EDAB COC(=O)[C@](O)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F 2504004 BYYFFXHWQYMWGO-CYBMUJFWSA-N 330.262 1.397 0 40 EDAB Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)cc1 51462773 FDTVNOKJJJNWNQ-ZBFHGGJFSA-N 338.473 1.714 0 40 EDAB COCCNC(=S)N1CCC(NC(=O)c2ccc(F)cc2)CC1 4888580 DSKHAJZKSKOROR-UHFFFAOYSA-N 339.436 1.541 0 40 EDAB Cc1nnc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)s1 29281085 QYOBDKXQLUWNIG-LLVKDONJSA-N 348.363 1.044 0 40 EDAB COc1ccc(CNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 7942171 XEAFYKSHSMFYED-UHFFFAOYSA-N 339.351 1.015 0 40 EDAB Nc1nc(N)c2c(n1)NC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1 10339077 FLDKROCFLMZXEG-QMMMGPOBSA-N 332.751 1.359 0 40 EDAB CCOC(=O)c1ccc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nc1 29532238 WBJUSGLHMVYQLV-AWEZNQCLSA-N 348.447 1.295 0 40 EDAB CN(C)CCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O 54360895 WMJXXAOHKGITOB-KAMYIIQDSA-N 347.440 1.791 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C)C2)c(OC)c1 46321576 BMWGETNYVKHLOR-SWLSCSKDSA-N 332.400 1.846 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCCc2ccccn2)cc(C)c1C 21774149 DXYXNEHSSIHCRM-UHFFFAOYSA-N 347.440 1.579 0 40 EDAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCCCC1 21897329 XSLFUIIDUNLWGL-ZDUSSCGKSA-N 330.384 1.823 0 40 EDAB CN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)NC1=S 100142088 MEYFDMJKZUFLSG-HJWRWDBZSA-N 338.186 1.459 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1=NN(C)C(=O)CC1 21933408 RJGRJOVYYDUHOS-UHFFFAOYSA-N 339.399 1.714 0 40 EDAB COCCn1nc(C(=O)N(C)Cc2cccc(Cl)c2)ccc1=O 21916443 IPPLVJCXGFMVPK-UHFFFAOYSA-N 335.791 1.815 0 40 EDAB NC(=O)CCS(=O)(=O)CCN(Cc1ccc(F)cc1F)C1CC1 53132178 JADJTAMDJRGHJV-UHFFFAOYSA-N 346.399 1.219 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2cccc(F)c2)C1 57319534 SHANIPLOYGNPFF-UKRRQHHQSA-N 336.407 1.758 0 40 EDAB O=C(c1ccncc1F)N1CC[C@@H]2[C@@H](CO[C@H]2CN2CCOCC2)C1 107201785 YGVYLVYSPBDTAE-CPUCHLNUSA-N 349.406 1.030 0 40 EDAB Cc1cn(CC(=O)N2CCCC[C@H]2CNC(N)=O)c2ccccc12 104374734 KDLYAXCMNHWYBC-AWEZNQCLSA-N 328.416 1.999 0 40 EDAB Cc1cnc(N2CCC[C@]3(CO[C@H](C(=O)NCC4CC4)C3)C2)nc1 107230283 VZUGATBUMITXQR-MAUKXSAKSA-N 330.432 1.687 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)CN1C(=O)COc2ccc(Cl)cc21 42532713 WOQQDFHMRFZOLG-LLVKDONJSA-N 348.790 1.467 0 40 EDAB O=C(CCn1cncn1)NCc1ccc(OCC(F)(F)F)cc1 23510782 PYMGISYESZWTPU-UHFFFAOYSA-N 328.294 1.926 0 40 EDAB COc1ccc(NC(=O)NCCn2nc3ccccn3c2=O)cc1 57997257 RKUGFQRSZRDYHH-UHFFFAOYSA-N 327.344 1.326 0 40 EDAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[C@H]1NC(=O)NC1=O 42815759 CPRGONZIDGNHGX-WCBMZHEXSA-N 332.385 1.414 0 40 EDAB Cc1csc(=O)n1CCC(=O)N(C)C[C@@H]1COc2ccccc2O1 24661849 ITNDBKULJDYFAR-CYBMUJFWSA-N 348.424 1.907 0 40 EDAB O=C1CC2(CCN(C(=O)c3ccno3)CC2)CN1Cc1ccncc1 108528415 AXHLPPZUADLOOT-UHFFFAOYSA-N 340.383 1.725 0 40 EDAB CC1CCN(c2ccc(=O)n(CC(=O)Nc3ccccn3)n2)CC1 61720441 DBXYCANHHZHYPS-UHFFFAOYSA-N 327.388 1.513 0 40 EDAB O=C(O)[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)CCO1 43702748 UMCWCTWZTDVSIW-SNVBAGLBSA-N 332.125 1.514 0 40 EDAB CC1CCN(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)CC1 44294959 UIJHLWOWHBAPJI-UHFFFAOYSA-N 340.445 1.567 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CCOc2ccccc21 8346104 ZWIVCRDTEUUWFD-ZDUSSCGKSA-N 343.383 1.491 0 40 EDAB CCCOC(=O)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 58087428 CZAOXHHDZCJRFH-ZDUSSCGKSA-N 340.401 1.562 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccccc1OC(F)F 58264136 QZSFBNXOPQNZNQ-VHSXEESVSA-N 348.371 1.563 0 40 EDAB CNC(=O)NC(=O)CCN1CCC(Oc2cc(C)ccc2C)CC1 58244468 NKIXXBUXWGZMRX-UHFFFAOYSA-N 333.432 1.992 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccccc1OC(F)F 58264134 QZSFBNXOPQNZNQ-UWVGGRQHSA-N 348.371 1.563 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)Nc1cccnc1-n1cccn1 58289746 WKSAJFWJSSIERT-UHFFFAOYSA-N 338.375 1.469 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)N(C)C[C@H]1COc2ccccc2O1 44973595 NFSSXEAUYOOMDO-JSGCOSHPSA-N 344.367 1.696 0 40 EDAB CCn1c2ccccc2c2nnc(SCC(=O)NCCOC)nc21 3383884 PQKZWQINGZTNTN-UHFFFAOYSA-N 345.428 1.854 0 40 EDAB CN(CC(=O)N1CCc2[nH]c3ccccc3c2C1)CC1OCCO1 2251540 KRAZIRJDBQTELT-UHFFFAOYSA-N 329.400 1.357 0 40 EDAB C[C@@H]1CCc2sc3ncn4nc(C(=O)NCCO)nc4c3c2C1 2214016 JJRFPXKVLTTXIO-MRVPVSSYSA-N 331.401 1.186 0 40 EDAB O=S1(=O)CC[C@@H](N(C2CC2)S(=O)(=O)c2cccc(F)c2)C1 58457586 GNJRQERONBUMII-GFCCVEGCSA-N 333.406 1.166 0 40 EDAB CC(=O)NCCCNC(=O)NCc1ccccc1Cn1cccn1 45138449 GVZBCALWSHNLBB-UHFFFAOYSA-N 329.404 1.257 0 40 EDAB CS(=O)(=O)c1nccn1Cc1cc(Cl)c2c(c1)OCCO2 174107731 VHNDSTMLDXYDJE-UHFFFAOYSA-N 328.777 1.760 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)NCCc1ccccc1 45289428 NOFMNORQNPFNFA-UHFFFAOYSA-N 336.413 1.565 0 40 EDAB CN(C)C(=O)c1ccc(CNC(=O)[C@H]2COc3ccccc3O2)cc1 12767207 JXNQRGVWMJGJAH-QGZVFWFLSA-N 340.379 1.845 0 40 EDAB CC[C@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)c1ccc(OC)cc1 48236826 YYCXMUCAASERCE-HNNXBMFYSA-N 345.399 1.580 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(Cn2ccccc2=O)o1 48262881 WDTRDWNOEOKADJ-CQSZACIVSA-N 330.384 1.988 0 40 EDAB CCOC(=O)C1=C(CN2CCCc3cccc(OC)c32)NC(=O)NC1 48341840 GHVCTBOZXYRMME-UHFFFAOYSA-N 345.399 1.578 0 40 EDAB COCC(=O)N[C@H](C)C(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C 48324361 BUSGOPMSAJIVFC-CQSZACIVSA-N 349.431 1.160 0 40 EDAB CN(C(=O)COC(=O)c1ccc(-n2cnnn2)cc1)C1CCCCC1 3435959 FWCDGDZZNDCTIA-UHFFFAOYSA-N 343.387 1.610 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cncc(Br)c2)CC1 48411414 YRINAKQNCXDZSZ-UHFFFAOYSA-N 326.194 1.539 0 40 EDAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N(C[C@H]1CCOC1)C1CC1 68213010 VBCRZMCRUBGMOP-CQSZACIVSA-N 339.395 1.874 0 40 EDAB O[C@H](CNCCn1cccn1)COc1ccc(Br)cc1 49076648 XTLRNHZNSCUHRZ-CYBMUJFWSA-N 340.221 1.675 0 40 EDAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 16259925 OUMGSNGSQWIQPB-UHFFFAOYSA-N 340.383 1.751 0 40 EDAB O=C(Cc1ccc(Cl)cc1)NCCCNC(=O)c1cnccn1 13568303 KUJLOFJFEAPEAV-UHFFFAOYSA-N 332.791 1.609 0 40 EDAB O=C(CSc1nc2ccccc2o1)N[C@H]1CCS(=O)(=O)C1 5033807 UZUBFEQBYXFGMN-VIFPVBQESA-N 326.399 1.223 0 40 EDAB O=C(Nc1cccc2nsnc12)C(=O)N1CCCC[C@@H]1CCO 13736664 OWUUELVFLCFERC-SNVBAGLBSA-N 334.401 1.393 0 40 EDAB O=C(Cc1ccon1)N1CCN(c2ncnc3ccsc23)CC1 81444895 WTXSTNLTFHAKSU-UHFFFAOYSA-N 329.385 1.571 0 40 EDAB CCn1ccnc1CN1CCN(C[C@H](O)CN2CCC(C)CC2)CC1 69418453 NVZPODQETFPBCR-GOSISDBHSA-N 349.523 1.113 0 40 EDAB CCN(CC)CCCNS(=O)(=O)c1cc(OC)ccc1OC 8130028 XDTXBRPWMNLHTI-UHFFFAOYSA-N 330.450 1.714 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C(=O)c2ccccc2C1=O 6383873 OBPWGNKEWJHINW-FZMZJTMJSA-N 343.383 1.687 0 40 EDAB O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CCOCC1 65490105 DITTVZNJLSSURO-UHFFFAOYSA-N 325.308 1.747 0 40 EDAB C[C@H]1C[C@H](C)CN(CCNS(=O)(=O)c2ccc3c(c2)COC3)C1 65622637 WZMKYHADFINYDO-KBPBESRZSA-N 338.473 1.973 0 40 EDAB C[C@H](Oc1cccc(C(=O)NCCO)c1)C(=O)Nc1ccccc1 70040451 WYZYTBWJMJSVPH-ZDUSSCGKSA-N 328.368 1.815 0 40 EDAB C[C@H](CNC(=O)C1=NO[C@@H](c2ccccc2)C1)N1CCN(C)CC1 70003690 QPAOXJRUKTXYLR-RHSMWYFYSA-N 330.432 1.256 0 40 EDAB CC(C)C[C@@H](NC(=O)Nc1ccncc1)C(=O)N1CCC(CO)CC1 69389226 FZUKNQNWVFRTJC-MRXNPFEDSA-N 348.447 1.849 0 40 EDAB O=C(CN1CCC[C@H]1c1cccc2c1OCCO2)NC[C@@H]1CCCO1 67231276 ABMWNCQUDIHGPV-HOCLYGCPSA-N 346.427 1.890 0 40 EDAB C1CCC2(C1)OC[C@@H](CNCCNC[C@@H]1COC3(CCCC3)O1)O2 19996045 HHAHKYISQVFGKB-HZPDHXFCSA-N 340.464 1.537 0 40 EDAB OCCN1CCC(CNCc2cnn(Cc3ccccc3)c2)CC1 69570268 BELSLSDKINOTHM-UHFFFAOYSA-N 328.460 1.725 0 40 EDAB Cc1cccc(NC(=O)CS(=O)(=O)NC2CCC(C)CC2)n1 69529490 MHHPYNWCVFYAKO-UHFFFAOYSA-N 325.434 1.827 0 40 EDAB NC(=O)c1cnn2c1NC[C@H](CNC1(c3ccccc3)CCC1)C2 69582347 DRTSGLBARDSAQF-CYBMUJFWSA-N 325.416 1.693 0 40 EDAB CCn1cc(CN2CCCN(C(=O)Cc3c(C)noc3C)CC2)cn1 69512876 JVFQNHKDKVMVKF-UHFFFAOYSA-N 345.447 1.785 0 40 EDAB Cc1c(C(=O)OCCN2CCNC2=O)cnn1Cc1ccccc1 69632939 CBMUQSYLJCIKGQ-UHFFFAOYSA-N 328.372 1.422 0 40 EDAB Cc1c(C(=O)OCC(=O)NC(C)C)nnn1-c1ccccc1Cl 69699115 QETDEKUKMMSBSV-UHFFFAOYSA-N 336.779 1.911 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)CN1CCO[C@H](CN(C)C)C1 69840957 UCMADSWZCLTTSW-LSDHHAIUSA-N 335.448 1.135 0 40 EDAB CCOCCN1CCN(CCS(=O)(=O)C(F)(F)F)C[C@@H]1CC 69973204 ZOEBGQGCEOTWEY-LBPRGKRZSA-N 346.415 1.354 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)c1ccc2nnnn2n1 71914887 XKSWMTFREFVELE-HOCLYGCPSA-N 337.431 1.866 0 40 EDAB Cc1nc2ccccc2n1CCNC(=O)c1cccc(-n2cnnn2)c1 9884068 KFJZBRQLQTUAJW-UHFFFAOYSA-N 347.382 1.750 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CSc1nnnn1Cc1cccs1 9862806 VMMKASDKEHSYIU-UHFFFAOYSA-N 349.445 1.854 0 40 EDAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)C1CC1 9134025 GOMOOLQFVMABTB-CQSZACIVSA-N 341.289 1.523 0 40 EDAB CCC[C@](C)(CNC(=O)C[C@H]1CCCO1)NC(=O)C[C@@H]1CCCO1 72293536 VUVASKMLOZZXHO-RVKKMQEKSA-N 340.464 1.916 0 40 EDAB COc1cccc2c1OC[C@@H](C(=O)N[C@@H]1CCc3nc(C)cn3C1)C2 72235899 XICKWSPCCBKOIG-LSDHHAIUSA-N 341.411 1.882 0 40 EDAB Cc1ncsc1C(=O)N1CCCN(Cc2nnc(C)n2C)CC1 71824852 BWTPGCXGCOSVMO-UHFFFAOYSA-N 334.449 1.237 0 40 EDAB CN(c1ccc2nnnn2n1)[C@H]1CCN(c2ccccc2Cl)C1=O 71894546 RFWARLQMDVCINA-LBPRGKRZSA-N 343.778 1.414 0 40 EDAB CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 71866050 RWXWEBUWYGGNHH-CABCVRRESA-N 336.461 1.494 0 40 EDAB CCN1CCN(C(=O)[C@H](C)Oc2ccc(S(C)(=O)=O)cc2)CC1 71848490 GJTQEBSHGZQDDB-ZDUSSCGKSA-N 340.445 1.022 0 40 EDAB Cc1ccc(CC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 71841518 KPZLKNRRJZGGJJ-OAHLLOKOSA-N 329.375 1.532 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CCCN(c3nccs3)C1)C2 72240564 SOKMHHLTBISXES-ZIAGYGMSSA-N 345.472 1.996 0 40 EDAB O=C(c1cc(F)c(F)c(F)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269206 JYVJJQWXPHMPCU-KGLIPLIRSA-N 328.334 1.775 0 40 EDAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269349 RGVASCYNOBNVGL-TVFCKZIOSA-N 332.419 1.987 0 40 EDAB CN[C@H]1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)C1 97019456 ZSRZDMCPYSTBQR-ZDUSSCGKSA-N 345.424 1.169 0 40 EDAB C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCO1)c1ccc(S(N)(=O)=O)cc1 89904860 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O=C(NCC1CCS(=O)(=O)CC1)N[C@@H]1CCCc2occc21 95440227 UISHJHHBWDNOQS-CYBMUJFWSA-N 326.418 1.781 0 40 EDAB Cc1cc(C)n(C[C@H](C)NS(=O)(=O)c2cc(Cl)cnc2N)n1 95433746 GMYREYALJHVSHQ-VIFPVBQESA-N 343.840 1.498 0 40 EDAB CCS(=O)(=O)NCCCNc1ncc(Br)cc1C 95411940 CVCKGBHVTFRTPV-UHFFFAOYSA-N 336.255 1.894 0 40 EDAB Cc1nc(CNC(=O)Nc2cc(F)ccc2N2CCN(C)CC2)no1 95403919 BACDLXLVMWCZDE-UHFFFAOYSA-N 348.382 1.591 0 40 EDAB Cn1cc(N2CCN(c3ccc(Br)cn3)CC2=O)cn1 98018812 FPIHMSNBBWWGCB-UHFFFAOYSA-N 336.193 1.431 0 40 EDAB O=C(CCCn1cnc2ccccc2c1=O)Nn1cn[nH]c1=S 9954624 LQARLNWCMNHURW-UHFFFAOYSA-N 330.373 1.201 0 40 EDAB CC(=O)c1cn(CC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc12 79486346 RMIBWGAEHPAEDR-LBPRGKRZSA-N 334.397 1.147 0 40 EDAB CCOC(=O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)ccc1Cl 409048131 QIOWDEXBFFZXPN-MQYQWHSLSA-N 347.754 1.960 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(=O)n2ccccc2n1 30707978 XVVKIVGLPPZNJA-QGZVFWFLSA-N 348.406 1.367 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N1CCOCC1 217430825 KBGIWYYKQVCCMY-NSHDSACASA-N 342.417 1.298 0 40 EDAB Cc1cc2nnc(SCC(=O)N(C)C3CCCCC3)n2c(N)n1 35315139 LPANIDCNNSTBQZ-UHFFFAOYSA-N 334.449 1.898 0 40 EDAB O=C(c1cnccn1)N1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 72377786 VNMYEGKVNFZMPF-AWEZNQCLSA-N 348.370 1.778 0 40 EDAB CC(=O)N1CC[C@H](CN(C)C(=O)Cc2ccc3c(c2)CCCO3)C1 563166407 QGLYYNTWWSYSNV-MRXNPFEDSA-N 330.428 1.881 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cccc(N(C)C)c2)C1 78721211 FNKOLOLWLUUXEQ-GOEBONIOSA-N 347.459 1.756 0 40 EDAB O=C1CC[C@@H](N2CCN(Cc3ccc4c[nH]nc4c3)CC2)CCN1 565991093 CJLJWYNPPWFJDS-MRXNPFEDSA-N 327.432 1.349 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)Cc2cnn(C)c2)cc1 186306955 NMNSEMBLMOUSQC-CYBMUJFWSA-N 335.429 1.250 0 40 EDAB COc1cc([C@H]2C3=C(COC3=O)Nc3cn(C)nc32)cc2c1OCO2 35326521 FBIHCHPYHZDDBF-ZDUSSCGKSA-N 341.323 1.526 0 40 EDAB CC(C)SCC(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1 71763060 RBXDZOROWRVLAD-UHFFFAOYSA-N 337.493 1.635 0 40 EDAB COc1ccn2c(C(=O)N3CC4(CCC4)[C@H]4COC[C@H]43)cnc2c1 564861641 KQKQKOMCENUBBM-DZGCQCFKSA-N 327.384 1.984 0 40 EDAB Cc1cccc(N2CCN(CC[C@H](C)NC(=O)NC[C@@H](C)O)CC2)c1 47675186 QXIQXRULSRSSFZ-DLBZAZTESA-N 348.491 1.576 0 40 EDAB CCOC(=O)c1nnn([C@@H](CC)C(N)=O)c1-c1ccc2c(c1)OCO2 82237881 KIPVCYCOMUMMLT-JTQLQIEISA-N 346.343 1.287 0 40 EDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2cc(=O)n3ccccc3n2)C1 85876535 FOTVPNZLEBNJSY-CABCVRRESA-N 348.406 1.476 0 40 EDAB biogenic COc1ccc(N(C)C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 222558655 DMIHJEHMBQOQMB-LBPRGKRZSA-N 326.418 1.330 0 40 EDAB Cc1nnsc1C(=O)NCCn1nc(-c2cccs2)ccc1=O 43999845 MKIWOIKQHLRCRR-UHFFFAOYSA-N 347.425 1.562 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3cc[nH]c3c2)cc1 42998607 SDYSLMOXYAVSTM-UHFFFAOYSA-N 329.381 1.745 0 40 EDAB COCCCNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C 225929194 ZKUORFQUYOCAHT-UHFFFAOYSA-N 328.434 1.077 0 40 EDAB COc1cc(C)n(CCNC(=O)c2ccc(NC(C)=O)cc2)c(=O)c1 225615489 LYURVLBGUHKPIM-UHFFFAOYSA-N 343.383 1.554 0 40 EDAB C[C@@](O)(CNC(=O)Cn1c(=O)oc2ccccc21)c1cccs1 75155891 AUJWLVZBUIEGHO-MRXNPFEDSA-N 332.381 1.680 0 40 EDAB CCCn1nccc1NC(=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1 190159649 OSRDTYWKCSGKIF-ZDUSSCGKSA-N 330.392 1.709 0 40 EDAB C[C@H](NC(=O)NCc1nccn1Cc1ccccc1)C(=O)N(C)C 195580040 YELNZCVECUEIKY-ZDUSSCGKSA-N 329.404 1.207 0 40 EDAB COc1ccc(-n2cnc(C(=O)NCCCn3cccn3)c2)cc1 226752069 YYBFQNCQFQZPMW-UHFFFAOYSA-N 325.372 1.898 0 40 EDAB CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2F)O1 334046613 YBYAZGBMBLXAHL-GZMMTYOYSA-N 328.315 1.036 0 40 EDAB CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1cccc(F)c1 96186215 WWGOXDYISZBHKF-IAGOWNOFSA-N 347.434 1.522 0 40 EDAB O=C(c1ccco1)N1CCc2ncnc(N3CCOCC3)c2CC1 96255715 IQPQOMHQMUZJCU-UHFFFAOYSA-N 328.372 1.147 0 40 EDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCN(C[C@@H]3CCOC3)C2)C1 96226048 ZGWPTGIBBKPYNH-SUMWQHHRSA-N 330.388 1.277 0 40 EDAB COc1ncccc1CN1CC[C@H]2[C@H](Cc3nnc(C)[nH]3)OC[C@H]2C1 96209140 WFTAGMIIKPHIJU-OAGGEKHMSA-N 343.431 1.596 0 40 EDAB O=C([C@H]1CCCO1)N1CCc2ncnc(Oc3cccnc3)c2CC1 96255667 UVQDIOHXWXMULM-MRXNPFEDSA-N 340.383 1.770 0 40 EDAB Cc1csc(CN2CC[C@@]3(C[C@@H](NS(C)(=O)=O)CCO3)C2)n1 96208578 BMSWDGAIPVQNPH-GXTWGEPZSA-N 345.490 1.124 0 40 EDAB CN(C)C(=O)c1cnc2n1CCN(Cc1ccc3c(c1)OCO3)C2 96198646 YSCFIVSNRHDWSQ-UHFFFAOYSA-N 328.372 1.329 0 40 EDAB C[C@@H]1Cc2ccccc2[C@H]1NCCNS(=O)(=O)Cc1ccon1 95423621 OFHVRCLNGQVSFD-WBMJQRKESA-N 335.429 1.617 0 40 EDAB COC[C@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)c1ccncn1)C2 96217909 HFDBNFRAEKCVFA-CRAIPNDOSA-N 330.432 1.297 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)NCc2ccc3c(c2)CCC3)cn1 96421436 FKZXNTVXGTVDBI-GOSISDBHSA-N 328.416 1.616 0 40 EDAB O=C(Cc1ccccn1)N1CCC2(CC1)CCN(c1ncccn1)C2 96062874 HEIRNHXGNGNHRB-UHFFFAOYSA-N 337.427 1.933 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(C(=O)c3ccoc3)C[C@@H]12)NCC1CC1 96057171 IUXKDTMBYWUDFO-OAGGEKHMSA-N 332.400 1.531 0 40 EDAB O=C([C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1)N1CCCO1 96111140 ABIRLWWJYUSUOM-MRXNPFEDSA-N 331.416 1.759 0 40 EDAB Cc1ccc([C@H]2[C@H](C(=O)NCc3cnn(C)c3C)CC(=O)N2C)cc1 96181230 AZXNKUZQTWKSGR-AEFFLSMTSA-N 340.427 1.873 0 40 EDAB O=C(NCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2N(c2ncccn2)C1 96041287 DDAJFGQLMBEXHH-NWANDNLSSA-N 344.440 1.838 0 40 EDAB C[C@H](CCc1cccc(F)c1)C(=O)NCC1(C(N)=O)CCOCC1 96430588 BSZLYKGJDLWDSM-CYBMUJFWSA-N 336.407 1.793 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C[C@@H]2C(=O)O)cc1F 96069007 CKRKNHIBJXMXKS-SMDDNHRTSA-N 344.408 1.302 0 40 EDAB Cn1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](NC(=O)CC3CC3)C2)cn1 96040645 IDDSEEZNJSGDJE-JZXOWHBKSA-N 332.448 1.316 0 40 EDAB COCCn1ccc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc21 95472236 QJJVBKQZSZVGBW-CQSZACIVSA-N 336.413 1.205 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(CC1CCCCC1)C2)N1CCOCC1 96217436 PILDKYMWMUAANR-MJGOQNOKSA-N 336.476 1.764 0 40 EDAB CCc1ccc(S(=O)(=O)N2Cc3cn(C)nc3[C@H](COC)C2)cc1 96100568 LOGHQZOREFDVNT-HNNXBMFYSA-N 349.456 1.917 0 40 EDAB COc1cc(N2CC3(C2)OCC[C@H]3COCc2cccnc2)ncn1 247908427 SZTLGBGBDLAVCL-HNNXBMFYSA-N 342.399 1.692 0 40 EDAB COCCN1C[C@@H](COC)C2(CCN(c3ncc(F)cn3)CC2)C1 247846852 MZJFDCBSJZXNCV-AWEZNQCLSA-N 338.427 1.427 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@]2(N)CO)cc1 242498503 HJGLTZLPAOUQSF-BRWVUGGUSA-N 335.400 1.764 0 40 EDAB Cc1cc(C)nc(N2CCC[C@H](Cc3[nH]ncc3S(C)(=O)=O)C2)n1 257286528 PLXSMQKRUGHAQV-CYBMUJFWSA-N 349.460 1.679 0 40 EDAB O=C(N[C@@H]1CCCNC1=O)c1cccn(Cc2ccccc2F)c1=O 257274687 NMDAPBBQCVDSNA-OAHLLOKOSA-N 343.358 1.044 0 40 EDAB Cn1cc(SCCCC(=O)N2CCN(c3ncccn3)CC2)cn1 257173851 ZHMRPZMPUYHZQH-UHFFFAOYSA-N 346.460 1.431 0 40 EDAB Cc1nc(CC(=O)NCc2ccnc([C@@H]3CCCOC3)n2)cs1 257220943 DMXGULVNBJEBAS-GFCCVEGCSA-N 332.429 1.994 0 40 EDAB CC(=O)N1CC[C@@H](c2ncc(CNC(=O)Cc3ccccc3C)[nH]2)C1 257331110 XRJPJZYUQDIIME-MRXNPFEDSA-N 340.427 1.913 0 40 EDAB Cn1ccnc1-c1cncc(C[C@H]2CCN(C(=O)c3ccncc3)C2)n1 257199814 AAXHXHCMOAOYLJ-CQSZACIVSA-N 348.410 1.977 0 40 EDAB CN(C)Cc1nccnc1C1CCN(C(=O)c2cn(C)cn2)CC1 257339050 YZZWBGYNTDCVJZ-UHFFFAOYSA-N 328.420 1.292 0 40 EDAB C[C@@H]1CC[S@@](=O)CCN1C(=O)C[C@@H](n1cccn1)C(F)(F)F 585108363 ZJUNWVJTZXVPNF-XJUBTRFSSA-N 337.367 1.746 0 40 EDAB CN1CCN(S(=O)(=O)c2csc3ccccc23)[C@@H](CO)C1 585115259 SWOPVSXKOFRXEL-LLVKDONJSA-N 326.443 1.198 0 40 EDAB CC(C)[C@H](NC(=O)c1ccc(NCCc2ccccn2)cc1)C(N)=O 585129392 IGWQYCRMLZCSMA-KRWDZBQOSA-N 340.427 1.976 0 40 EDAB CN1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3ccc(=O)[nH]n3)CC[C@H]21 257277996 OAIGHJFVDRXESZ-BFYDXBDKSA-N 338.411 1.330 0 40 EDAB Cc1cc(C(=O)N(C)C[C@]2(O)CCCN(c3ccc(F)cn3)C2)on1 257223146 DWCDJHMRSLGNMQ-QGZVFWFLSA-N 348.378 1.621 0 40 EDAB O=C(c1cnco1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257269448 MPYNIBCAQLZLIE-ZDUSSCGKSA-N 326.356 1.654 0 40 EDAB CCOCc1nc(-c2cc(C)c(CS(N)(=O)=O)c(C)c2)no1 1616037169 GRPIURDWEOHCDC-UHFFFAOYSA-N 325.390 1.678 0 40 EDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(OC)ccc1OC 298133561 IZYRAGMRXBDXCD-LBPRGKRZSA-N 335.404 1.243 0 40 EDAB CO[C@]1(CNC(=O)C(=O)NCc2ccc(F)cc2)CCSC1 96097727 YBIUMHMAMNPDNE-HNNXBMFYSA-N 326.393 1.080 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119144 MSARYUILXBUJAD-JTQLQIEISA-N 342.446 1.784 0 40 EDAB Cn1ccc2ccn(CCNC(=O)c3cnc(O)c(Cl)c3)c(=O)c21 575609228 ZIUQNJWYYJLYCM-UHFFFAOYSA-N 346.774 1.524 0 40 EDAB NC(=O)c1c[nH]c2nccc-2c1N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](O)(C3)C2 575433713 DREIJXJRTLTGJC-KDJQDEFKSA-N 326.400 1.965 0 40 EDAB CCCCC(=O)N1Cc2ccnn2[C@H](C(=O)NCC2CCOCC2)C1 575402605 CLPRBZYZIFCYJS-INIZCTEOSA-N 348.447 1.499 0 40 EDAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCc1ccccc1 136519425 BNOYHXTYKZLZCR-KRWDZBQOSA-N 343.379 1.809 0 40 EDAB CCCN1C[C@H]2C(=O)NC3(CCN(c4nc(C)cc(C)n4)CC3)[C@H]2C1 585105989 ANXWHWICUBMNMB-CVEARBPZSA-N 343.475 1.520 0 40 EDAB O=C1CCCN1C[C@H]1CCn2nccc2CN1C(=O)C1=CCCC1 585097150 HTSMJESSLASQJL-OAHLLOKOSA-N 328.416 1.717 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(Cc2cccnc2)CC1 54724732 KIYVSKJLKBMAPA-UHFFFAOYSA-N 333.823 1.735 0 40 EDAB COc1ccc(-n2ccc(C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)n2)cc1 71829455 RWFMAPBDIJSKNM-CHWSQXEVSA-N 342.399 1.607 0 40 EDAB CN1CCN([C@H](Cc2ccc(Br)cc2)C(=O)O)CC1 84761954 ACSVWJPMIHXXFC-CYBMUJFWSA-N 327.222 1.692 0 40 EDAB FC(F)(F)c1c[nH]c(C2CCN(c3ccc4nnnn4n3)CC2)n1 76064009 XKZVLVPCUXZKQC-UHFFFAOYSA-N 338.297 1.645 0 40 EDAB COc1ccc(Cl)cc1[C@H](O)CNC(=O)C12CC(C(=O)O)(C1)C2 1607264452 CKJLYHCVKKFUQM-VHWKEVPUSA-N 339.775 1.753 0 40 EDAB Cn1nnc2c1C[C@H](C(=O)NC[C@H]1CCCC[C@@H]1N1CCCC1)CC2 1615001578 WPDXMXGLOYCMKR-INMHGKMJSA-N 345.491 1.691 0 40 EDAB CC(=O)N1CC2(CCN(C3COC3)CC2)C[C@H]1Cc1ccccn1 1615156356 VSJIYUQUCFVTDY-QGZVFWFLSA-N 329.444 1.726 0 40 EDAB COc1cccc(CNC(=O)Cn2c(=O)n(C)c3ncccc32)c1 12117549 KDZJJNKQVVECHB-UHFFFAOYSA-N 326.356 1.060 0 40 EDAB Cc1cccc2c(=O)c(NC(=O)NCCCN3CCCC3=O)c[nH]c12 13565887 BBOXMBKPKNZCOW-UHFFFAOYSA-N 342.399 1.971 0 40 EDAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2ccccc2F)n1 13960271 DNPPMFYBHFHIRV-CRWXNKLISA-N 342.330 1.132 0 40 EDAB COc1ccc(-c2cc(C(=O)NCCn3ccnc3)n(C)n2)cc1 19288928 XXDALZYZMOFKTO-UHFFFAOYSA-N 325.372 1.722 0 40 EDAB CC(=O)N1CC[C@@H](c2ccnc3c(Cn4ccnc4C)c(C)nn23)C1 19707946 QUUFSWKCIGGPCC-OAHLLOKOSA-N 338.415 1.927 0 40 EDAB Cn1cccc(C(=O)NCC2CCN(C3CCOCC3)CC2)c1=O 225562020 RGHUYKYONDQRMY-UHFFFAOYSA-N 333.432 1.006 0 40 EDAB Cc1ccc(N2CCC(CNC(=O)NC3CCOCC3)CC2)nn1 225555040 ALIHUCJRBTYQTI-UHFFFAOYSA-N 333.436 1.480 0 40 EDAB O=S1(=O)NC(c2ccnc(N3CCCCC3)n2)=Nc2ccccc21 19375693 JVPXYJNQQIVLRA-UHFFFAOYSA-N 343.412 1.837 0 40 EDAB O=C(Cc1n[nH]c2ccccc12)NCc1nnnn1-c1ccccc1 593160917 ITNGJNBWQSCJOL-UHFFFAOYSA-N 333.355 1.398 0 40 EDAB Cc1nc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)no1 1888888332 OKKCACPWBVXNJG-OKILXGFUSA-N 348.428 1.131 0 40 EDAB CN(C)c1cc(N2CCN(c3cnc4ccccc4n3)CC2)ncn1 1889149450 HEVZUIPLZXTJKK-UHFFFAOYSA-N 335.415 1.812 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2cc(=O)[nH]c3ccccc23)C1 28014161 KOQKUIDQZVRXRR-CQSZACIVSA-N 343.427 1.615 0 40 EDAB CCN(CC(=O)NC)S(=O)(=O)c1cccc(OC(F)(F)F)c1 30436536 PZEKRIJYOHUFPK-UHFFFAOYSA-N 340.323 1.342 0 40 EDAB Cn1nc(-c2ccccc2)cc1C(=O)N[C@@H]1CCc2n[nH]c(=O)cc2C1 238877298 OJKNPUDWYJIBTM-CQSZACIVSA-N 349.394 1.458 0 40 EDAB Cn1nc2c(cc1=O)C[C@H](C(=O)NCc1nc3ccccc3[nH]1)CC2 238943904 WGAQGOUEDKHODL-LLVKDONJSA-N 337.383 1.078 0 40 EDAB COC(C)(C)C(=O)N1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 2037763963 CPEQVASSGMJQAS-MRXNPFEDSA-N 342.399 1.864 0 40 EDAB CCn1cc(CN2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccnc2)cn1 1565552011 YXGXUMFXJXLNDX-IRXDYDNUSA-N 325.416 1.673 0 40 EDAB CCc1ccc(C(=O)N2CC[C@]3(C[C@H](n4cnnc4)CO3)C2)cn1 2055839526 CVFFNZNFPDHBDS-RDJZCZTQSA-N 327.388 1.482 0 40 EDAB CCOC(=O)[C@@H]1C[C@H]2C[C@@H]1[C@H]1Sc3c(C(=O)OC)ccc[n+]3[C@H]21 35326374 XCOYIPURENTESE-RHZHCTOVSA-N 334.417 1.995 0 40 EDAB Cn1cc(-c2nccnc2CNC(=O)Cc2ccc(F)cc2)cn1 575621092 YBCYNNLQWUNHEZ-UHFFFAOYSA-N 325.347 1.875 0 40 EDAB CCOc1cc(C(=O)N2CCN(Cc3ccccn3)CC2)ncn1 575609824 QMJXVUQZKIPUOG-UHFFFAOYSA-N 327.388 1.228 0 40 EDAB O=C(COCc1ccccc1)NCCn1nc2c(cc1=O)CCC2 585150480 NTPKDGLGJQNJSL-UHFFFAOYSA-N 327.384 1.065 0 40 EDAB CC(C)COc1cccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 40467492 PATUGWKQQXLZNQ-CQSZACIVSA-N 325.430 1.981 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)CCO1 10909442 DEYNSRCYCPDZMU-RYUDHWBXSA-N 349.362 1.230 0 40 EDAB COc1ccc2nc(C)c(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2c1 40477888 ALEPWQNAOSDPNR-LBPRGKRZSA-N 334.397 1.469 0 40 EDAB CCOCc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1OC 40467517 RYMTYDMCDBOKSM-CQSZACIVSA-N 341.429 1.491 0 40 EDAB CC(C)N1C[C@@H](C(=O)NCc2cccnc2-n2cccn2)CC1=O 31226864 GIPBSDKAZYKAII-AWEZNQCLSA-N 327.388 1.140 0 40 EDAB CC(=O)NC(=S)Nc1ccc(I)c(C)n1 505828 LQFYQDBVKNMCIA-UHFFFAOYSA-N 335.170 1.828 0 40 EDAB O=c1nc(N2CCN(c3ccccn3)CC2)[nH]nc1-c1ccccc1 16675915 CXOZSEZHDLTGGC-UHFFFAOYSA-N 334.383 1.554 0 40 EDAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(-n2cnnn2)c(C)c1 1342050 GLHJGNNOJBZKQY-ZDUSSCGKSA-N 335.433 1.924 0 40 EDAB CS(=O)(=O)NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 40543961 ZTCGGZSSFNHRGG-UHFFFAOYSA-N 330.312 1.628 0 40 EDAB C[C@@H]1CCCN(C(=O)c2c(I)cnn2C)C1 2734115 LJCDLXIUQOVQPR-MRVPVSSYSA-N 333.173 1.897 0 40 EDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2cccnc2=O)c1 31782548 JFWXFCNZDGXODC-OAHLLOKOSA-N 343.383 1.624 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=S)NCc2ccccc2)cc1 3357789 XULVFBXWBZOAQD-UHFFFAOYSA-N 335.454 1.498 0 40 EDAB CC1CCN(C(=O)c2nnc3ccc(N4CCOCC4)cc3n2)CC1 57280173 YTXGYDGFEDPETL-UHFFFAOYSA-N 341.415 1.734 0 40 EDAB C[C@H]1CCCN(C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)C1 20893481 MNDMCTLNLYCUCD-LBPRGKRZSA-N 335.429 1.326 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)NCc1cccnc1-n1cccn1 46080742 KPXSSSKTFZIDLU-CQSZACIVSA-N 329.404 1.835 0 40 EDAB COC(=O)CCCN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 32900138 IYDWJIGFTGZWGL-UHFFFAOYSA-N 329.374 1.032 0 40 EDAB C[C@H](CNC(=O)CSc1nnnn1C1CCCC1)Cn1ccnc1 75144706 LHLBPXMSNRYMKN-GFCCVEGCSA-N 349.464 1.529 0 40 EDAB CCc1ccccc1NC(=O)CNS(=O)(=O)N1CCCCCC1 23396253 PNTXRTUDHMYYFI-UHFFFAOYSA-N 339.461 1.898 0 40 EDAB CN1CCN(C(=O)CCCN(c2ccccc2)S(C)(=O)=O)CC1 20568007 HMGNVSZCBZYLJT-UHFFFAOYSA-N 339.461 1.007 0 40 EDAB Nc1nc(Cl)cc(NCCc2ccc(S(N)(=O)=O)cc2)n1 24056249 XOANRZWNJGMLMO-UHFFFAOYSA-N 327.797 1.014 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 24472273 MFQVINMCTRJMRB-UHFFFAOYSA-N 326.356 1.346 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)CCN3CCOC3=O)c2O1 55227197 QFXYUAIBUPRKIH-UHFFFAOYSA-N 348.399 1.737 0 40 EDAB Cc1ccnc2nc(C(=O)NCc3ccc4c(c3)OCCO4)nn12 50034670 ZHDYAVPISBYSPU-UHFFFAOYSA-N 325.328 1.134 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)C1 24954924 TYPNHRFNPJRYAP-BETUJISGSA-N 349.456 1.944 0 40 EDAB CCCNC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 24923978 QIJWCSICNRRRKM-UHFFFAOYSA-N 346.427 1.879 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N(C)CC2CCN(C[C@H](C)O)CC2)on1 106781256 DCTCNAJYDLOMPG-UONOGXRCSA-N 338.452 1.335 0 40 EDAB NC(=O)CCn1c(SCc2nccn2C(F)F)nnc1C1CC1 25450259 LUFHDYZYEWIPBU-UHFFFAOYSA-N 342.375 1.915 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCCN(C(=O)c2ccoc2)CC1 56235173 YVXZBAFXZUURAN-UHFFFAOYSA-N 331.372 1.802 0 40 EDAB COC[C@H](C)Nc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)O 217548472 WVBRAXWXNMNKMY-JTQLQIEISA-N 330.406 1.518 0 40 EDAB O=C1O[C@H]2CC[C@@H]3[C@H]2[C@H]2[C@H]1[C@H]1[C@H]4CC[C@@H]5OC(=O)[C@H]6[C@H]([C@H]54)[C@@H]1[C@@H]2[C@@H]36 104285426 HHHGRVYNFBEVKI-KFWWMZGSSA-N 326.392 1.874 0 40 EDAB COc1cc(C)cc2oc(=O)c(CC(=O)NCCC(=O)O)c(C)c12 2125703 DJPSGQRGPKNACT-UHFFFAOYSA-N 333.340 1.552 0 40 EDAB biogenic O=C(c1ccco1)N1CCC(NC[C@@H]2CNc3ccnn3C2)CC1 58294417 JEFMICDDWWWGOR-CYBMUJFWSA-N 329.404 1.412 0 40 EDAB CN(Cc1cc(Br)cs1)C(=O)Cn1cccnc1=O 44952839 ZZRIWPORLLRONU-UHFFFAOYSA-N 342.218 1.726 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCCO3)C1 44911606 SHGDLMDMOYQNHT-AWEZNQCLSA-N 342.399 1.996 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N(C)Cc2ccccc2)no1 44938601 TYAUOMHTQORIAF-ZDUSSCGKSA-N 336.413 1.945 0 40 EDAB CCCN(CC(=O)NC(N)=O)C1CCN(C(=O)c2ccccc2)CC1 58343085 TZZDUAVNXGKSKP-UHFFFAOYSA-N 346.431 1.198 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 70004064 KGQWSMASAKAQTH-OAHLLOKOSA-N 336.432 1.541 0 40 EDAB CCOC(=O)/C=C/C(=O)OCc1cc(=O)oc2c(C)c(O)ccc12 10746331 HLFGPNPHYXNOEI-VOTSOKGWSA-N 332.308 1.970 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCN(c3ccncc3)CC2)n1 48105992 UUIUSOKUGLLHJP-UHFFFAOYSA-N 329.404 1.869 0 40 EDAB C[C@H](C(=O)Nc1ncccn1)N1CCCN(c2nccs2)CC1 69381987 KCIRSZXWWFQRIV-GFCCVEGCSA-N 332.433 1.472 0 40 EDAB NC(=O)[C@@H]1CCCN(CCCNC(=O)NCCc2cccs2)C1 69366947 WINWUFXOLHYNEI-CYBMUJFWSA-N 338.477 1.177 0 40 EDAB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCC2CCC2)c1 69351365 XZQZQMAPRNNCNK-UHFFFAOYSA-N 331.459 1.785 0 40 EDAB CCN1CCC[C@H](NC(=O)COc2nn(C)c3nc(C)cc(C)c23)C1 69392261 GGWQBDHIOMPTHH-AWEZNQCLSA-N 345.447 1.564 0 40 EDAB O=C(NCCCN1CCOCC1)c1cccc(Nc2ncccn2)c1 48383741 QYYXKPZKWOOOKA-UHFFFAOYSA-N 341.415 1.672 0 40 EDAB CS(=O)(=O)NCCN1CCN(Cc2c(F)cccc2Cl)CC1 69434871 BNQOQNUVKIYHAB-UHFFFAOYSA-N 349.859 1.146 0 40 EDAB O=C(Nc1ccnn1Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 69458545 LDXRJCFFLZIVJO-ZDUSSCGKSA-N 334.401 1.240 0 40 EDAB CCc1sc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)cc1C 49726062 HKBHEKQJQVRIAV-AWEZNQCLSA-N 349.500 1.998 0 40 EDAB O=C(NCCNc1ncccn1)[C@@H]1CCCCN1Cc1ccncc1 69534120 NTOMFENNJWVUEL-INIZCTEOSA-N 340.431 1.454 0 40 EDAB C[C@@H]1CN(C(=O)COC(=O)Cc2c[nH]c3ccccc23)C[C@@H](C)O1 6384263 ZJKJUQDRNKZYFT-CHWSQXEVSA-N 330.384 1.889 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)C1=NN(c2ccccc2)C(=O)CC1 65434841 DUQDOIVQRRPKLW-CYBMUJFWSA-N 325.372 1.571 0 40 EDAB Cc1ccc2cc(C(=O)N3CCCN(CC(N)=O)CC3)c(C)nc2c1 65550675 ZPPSMMTYGPPQEW-UHFFFAOYSA-N 340.427 1.485 0 40 EDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1nnc(C)o1 65552576 AURCIGVOWRCJPF-HNNXBMFYSA-N 328.372 1.530 0 40 EDAB CCOC(=O)N1CCN(Cn2c(=O)n(CC)c3ccccc32)CC1 14138108 YGANFHGIXWAJGZ-UHFFFAOYSA-N 332.404 1.555 0 40 EDAB O=C(NC1CCCC1)c1ccc(=O)n(CCOc2ccccc2)n1 14139283 WORZVRQFFCTDSU-UHFFFAOYSA-N 327.384 1.995 0 40 EDAB Cc1nnc([C@@H](C)N2CCN(C[C@@H](O)COc3ccccc3)CC2)o1 69770375 UXMNRCGTNZLEDG-GDBMZVCRSA-N 346.431 1.497 0 40 EDAB CC[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 8938507 LZOFCGWYIFPYMP-KBXCAEBGSA-N 329.400 1.901 0 40 EDAB COc1ccc2c(C)c(CCC(=O)N3CCOCC3)c(=O)oc2c1 4743599 VYGDRYIGKFSSGC-UHFFFAOYSA-N 331.368 1.901 0 40 EDAB CC[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CCO1 69875905 LNPMTACRNMJSRB-UONOGXRCSA-N 326.462 1.716 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCC[C@@H](Cn3cncn3)C2)cc1 69870945 ZZZXQXUNSIFHDR-GOSISDBHSA-N 341.459 1.957 0 40 EDAB Cn1ccnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 4804772 YKFHCYJJQAUNAD-UHFFFAOYSA-N 348.384 1.632 0 40 EDAB CCCNC(=O)c1cc(S(=O)(=O)NCCCOC)ccc1C 408626193 UTCVIXYONPFOKU-UHFFFAOYSA-N 328.434 1.450 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)N1CCC[C@@H]1Cn1cccn1 69968563 DGZTWSUQZLAMBR-GFCCVEGCSA-N 343.412 1.346 0 40 EDAB O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7309811 TXZWWVPRKBRVIE-UHFFFAOYSA-N 334.441 1.418 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(c2cc(OCC3CC3)ccn2)CC1 96006350 OSFBNEKTMGYHJO-MRXNPFEDSA-N 331.416 1.698 0 40 EDAB CC(=O)N1CCN(CCNc2nc(-c3ccc(Cl)cc3)no2)CC1 89954519 PPPTWWLKLULHOR-UHFFFAOYSA-N 349.822 1.966 0 40 EDAB CN(CC(=O)N1CCCC1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 71877577 HYXWPPGYSVGMPP-OAHLLOKOSA-N 347.463 1.466 0 40 EDAB O=C(Cn1cccn1)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 71862881 AYLNHYHOBADCGJ-MRXNPFEDSA-N 348.834 1.726 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1O 71883639 JCCPWHAKBUGDTA-ZETCQYMHSA-N 338.212 1.864 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)NCCOc1ccc(F)cc1F 71882762 RBTNTERMPZGSMD-SNVBAGLBSA-N 333.356 1.285 0 40 EDAB CC1(C)NC(=O)N(CCC(=O)OCCOc2ccc(F)cc2)C1=O 9745795 ZWJPVWUTDOUEGG-UHFFFAOYSA-N 338.335 1.468 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)CCn3cc(C)cn3)CCO2)n1 76045930 ITHKBKJDBBBEGI-CYBMUJFWSA-N 332.408 1.252 0 40 EDAB COc1cccc(COCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 72269245 WHPDZANTDNTNNB-ZWKOTPCHSA-N 348.443 1.269 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3cccc4c3OCCO4)CCO2)n1 72253534 GBXRXBXHOUCUJS-MRXNPFEDSA-N 344.415 1.567 0 40 EDAB O=C(NC1CC1)[C@@H](NCc1nnc2n1CCCC2)c1ccc(F)cc1 72299701 UEGLGDMNQJTEBM-KRWDZBQOSA-N 343.406 1.863 0 40 EDAB CC(=O)N1CC(NC(=O)CCc2cc(F)ccc2Br)C1 97107271 CIHKHSAHIOEHQP-UHFFFAOYSA-N 343.196 1.868 0 40 EDAB NS(=O)(=O)c1cnc(NC[C@@H](O)c2ccc(F)c(F)c2)s1 95347294 YPUQQUPTVLXKRB-SECBINFHSA-N 335.357 1.214 0 40 EDAB C[C@@H](O)CCN(C)S(=O)(=O)c1cc(F)ccc1Br 95433831 QZOHMZDMWSCVPL-MRVPVSSYSA-N 340.214 1.980 0 40 EDAB C[C@@H]1C[C@@H](NCc2ccccc2OCCN2CCOCC2)CN1C 95421117 PZCPZEUSNFAITD-SJLPKXTDSA-N 333.476 1.580 0 40 EDAB C[C@@H](C[C@@H](O)c1ccco1)NC(=O)NCc1cnc(N(C)C)n1C 95413601 WHIWKOJRGRQNNL-WCQYABFASA-N 335.408 1.391 0 40 EDAB C[C@@H]1CCC[C@@H](C)C1NC(=O)N(C)C[C@H](O)CN1CCN(C)CC1 95411408 BBYZWCPNMCNWEE-OAGGEKHMSA-N 340.512 1.061 0 40 EDAB COc1c(Cl)cc(C(=O)N2CCOC[C@@H]2C(=O)O)cc1Cl 88374777 ZEZAINKYPFYVGJ-SNVBAGLBSA-N 334.155 1.928 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1C 95961869 MGWYFOPEJHOIHV-BNOWGMLFSA-N 327.450 1.612 0 40 EDAB CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(C(=O)NC)nc1 95939158 LBFMZXSMJOMQOJ-UHFFFAOYSA-N 335.404 1.635 0 40 EDAB C[C@@H](NC(=O)CNC(=O)c1ccsc1)[C@@H](O)c1ccc(F)cc1 95992400 FSJBMTRGOUCWGZ-MEBBXXQBSA-N 336.388 1.855 0 40 EDAB COC(=O)[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(Cl)c(F)c1 89390825 YMPDADHHMJHIHI-CMPLNLGQSA-N 328.727 1.088 0 40 EDAB C[C@@H](SCc1nc(N)nc(N)n1)C(=O)N1CCc2ccccc2C1 89448331 ZKFJTZFLNYQFBN-SNVBAGLBSA-N 344.444 1.243 0 40 EDAB C[C@@H](CS(C)(=O)=O)NC(=O)CCc1ccc(Br)cc1 75093764 VGVFLWGWKLSCMI-JTQLQIEISA-N 348.262 1.931 0 40 EDAB COC[C@H](C)NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 408616037 VAZOEGJPPLOETC-ZDUSSCGKSA-N 328.434 1.221 0 40 EDAB CCOC(=O)N1CCN(C(=O)Cc2cc(OC)ccc2OC)CC1 22251072 DHJYXSNTSYGGDG-UHFFFAOYSA-N 336.388 1.547 0 40 EDAB COCCCNC(=O)Cn1nc(-c2ccc(OC)cc2)ccc1=O 35315671 LMMPOCUAGQIVHP-UHFFFAOYSA-N 331.372 1.072 0 40 EDAB COc1ccc(Br)cc1[S@](=O)Cc1nncn1C 123480829 UISFRCYEVNERPG-SFHVURJKSA-N 330.207 1.894 0 40 EDAB CC(C)[C@H](C(=O)NC[C@]1(O)CCCc2ccccc21)N1CCCC1=O 66930363 QVFUPTIQNULHMP-UYAOXDASSA-N 344.455 1.974 0 40 EDAB Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CN(C)C)C2)n1 72379016 QLPBUXOXMZOEML-OAHLLOKOSA-N 327.432 1.843 0 40 EDAB CC1(C)C[C@@H](NC(=O)Cn2nc(-c3ccco3)ccc2=O)CCO1 71283971 JKGBECNPCQTASG-LBPRGKRZSA-N 331.372 1.577 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)CCc2cccc(Cl)c2)CC1 45335577 WNNKELLRYHTZLS-UHFFFAOYSA-N 344.864 1.767 0 40 EDAB C[C@H]1CCCC[C@H]1OCC(=O)N1CCCN(CC(=O)N(C)C)CC1 79043646 NIILCEIWNLSXBP-JKSUJKDBSA-N 339.480 1.204 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)c2cc3ccccc3o2)CC1 43979670 RXSFVFWKIPBYBE-UHFFFAOYSA-N 336.413 1.834 0 40 EDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cccnc2)s1 225057187 QIPVHKSMMMCUDG-UHFFFAOYSA-N 341.418 1.719 0 40 EDAB CC1(C)CN(CC(=O)N2CCC(NC(=O)c3ccsc3)CC2)C1 568896937 XOUQJQMICCUUBH-UHFFFAOYSA-N 335.473 1.811 0 40 EDAB Cc1nc(N[C@@H]2CCCN(CCO)C2=O)ccc1Br 573808322 KVOCAEDVHYCAFH-LLVKDONJSA-N 328.210 1.548 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)NC(C(C)C)C(C)C)s1 224866341 DJMRUWKTABLLQH-UHFFFAOYSA-N 334.467 1.846 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1cnc(N(C)C)n1C 81724360 SNRZMUCZQNFYLK-UHFFFAOYSA-N 346.435 1.105 0 40 EDAB Cn1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1=O 43975535 MMVZDDSQIWXVET-UHFFFAOYSA-N 326.400 1.427 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 40542739 NEISEQYKIZTMIV-GFCCVEGCSA-N 348.428 1.031 0 40 EDAB Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H]3CN(C)CCO3)cc2)n1 85293898 BITUURYSCNFCOQ-MAUKXSAKSA-N 342.443 1.997 0 40 EDAB Cc1ccc(O[C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)nn1 225423261 OJODXLLKAORHRG-HNNXBMFYSA-N 331.347 1.983 0 40 EDAB O=C(O)c1cc2c(nc1NCC1CC1)CCN([C@H]1CCOC1)CC2 96189580 FSIPVUSKEUHXAW-AWEZNQCLSA-N 331.416 1.791 0 40 EDAB CCn1cc(C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)cn1 96422421 UMXPHEBAOSMXCZ-INIZCTEOSA-N 341.459 1.844 0 40 EDAB CCOc1ccc(C(=O)NCc2ccnc(N3CCOCC3)n2)cc1 96121111 BIFPMCYSNDDHRQ-UHFFFAOYSA-N 342.399 1.642 0 40 EDAB O=C(CCc1cccc(F)c1F)N1CCC[C@](O)(c2cnn[nH]2)C1 583617787 RXDPBXLVMCWDMC-MRXNPFEDSA-N 336.342 1.526 0 40 EDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2csnn2)on1 583624100 ZCYUTZIMBZCPEL-AAEUAGOBSA-N 325.413 1.879 0 40 EDAB O=C(c1ccccn1)N1Cc2nccn2C[C@H](CN2CCCC2)C1 96188376 CLBUZZAIYVMNIM-HNNXBMFYSA-N 325.416 1.646 0 40 EDAB O=C(c1ccnnc1)N1CC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 96107858 PKDDJACKKGMAJJ-DYVFJYSZSA-N 344.346 1.463 0 40 EDAB Cc1nc2ncccc2c(=O)n1CCNC(=O)c1ccc(F)cc1 95476055 GXVUEQFGFIVFBN-UHFFFAOYSA-N 326.331 1.669 0 40 EDAB CN(C)C[C@@H]1OC[C@H]2CN(S(=O)(=O)c3cccs3)CC[C@H]21 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SQLKZMGORXGMSA-INIZCTEOSA-N 328.478 1.613 0 40 EDAB O=S(=O)(CCCN1CCOCC1)N1CCc2c(F)cccc21 274184014 CMCFGPYTKFJLGH-UHFFFAOYSA-N 328.409 1.240 0 40 EDAB Cc1ccc(NC(=S)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1 575420726 JTBCVCFNEGLUIB-CYBMUJFWSA-N 328.459 1.173 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)CCN2CCCc3ccccc32)[C@@H]1O 585286071 IWQZATQNNGJSCS-LMMKCTJWSA-N 348.443 1.062 0 40 EDAB CCOC[C@H]1CN(C(=O)CCc2cncnc2)Cc2cn(C)nc21 585110986 OPFUZQFSFYTBPW-OAHLLOKOSA-N 329.404 1.305 0 40 EDAB O=C(CC1CC1)NCc1cnc2n1CCN(C(=O)C1(F)CCC1)CC2 585110655 VGFYDVQZHKEVOX-UHFFFAOYSA-N 348.422 1.576 0 40 EDAB Cc1cnn(C)c1-c1cnc2n1CCN(C(=O)[C@H]1CCOC1)CC2 585111661 ZMAAAVBHUFBHIT-ZDUSSCGKSA-N 329.404 1.013 0 40 EDAB CCN(C(=O)c1ccccc1OC(F)(F)F)[C@@H]1COC[C@@H](O)[C@H]1O 585285480 DRIAZKQVNBVSDN-WZRBSPASSA-N 349.305 1.168 0 40 EDAB CO[C@]1(COc2ccc(F)cc2)CCN(C(=O)Cc2cnc[nH]2)C1 585277790 PEVXIQWFVJJWFA-QGZVFWFLSA-N 333.363 1.788 0 40 EDAB O=C(Cn1nc(-c2ccco2)oc1=O)NCC1(c2ccccc2)CC1 54746127 PGBRNZYGLLLRCE-UHFFFAOYSA-N 339.351 1.944 0 40 EDAB CNC(=O)C1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 63260201 LFVSNCPXSZFCRE-ROKHWSDSSA-N 335.448 1.199 0 40 EDAB O=C1NC2(CCN(C(=O)[C@@H](c3ccccc3)N3CCCC3)CC2)CO1 96010090 IXDXRZSKDBVMJM-MRXNPFEDSA-N 343.427 1.925 0 40 EDAB CN(CC(F)(F)F)C(=O)CNC(=O)Cc1ccc(O)cc1Cl 89340126 GUYQCODSOMOCNB-UHFFFAOYSA-N 338.713 1.725 0 40 EDAB C[C@@H](c1cccc(F)c1)N1CCN(CC(=O)Nc2cccnn2)CC1 1615002435 CSHARMUMLMIPKZ-AWEZNQCLSA-N 343.406 1.933 0 40 EDAB O=C(c1n[nH]c2c1CCC2)N1CCC(n2nnc3cccnc32)CC1 12221860 MNTMKZSZMCKLOZ-UHFFFAOYSA-N 337.387 1.515 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3cccc(Cl)c3)N2N1 14607166 STZSHHIYQLVIEZ-NSHDSACASA-N 333.779 1.595 0 40 EDAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)NC(C)=C1C(=O)OC 17068232 GMVHFLQNNQCMPM-NSHDSACASA-N 332.356 1.607 0 40 EDAB C[C@H](c1cc(=O)[nH]c(N(C)CCN(C)C)n1)n1cnc2ccccc21 19458300 TZFFEMQMVYNUAM-CYBMUJFWSA-N 340.431 1.727 0 40 EDAB COCCn1c(SCCN2CCOCC2)nnc1-c1ccco1 19593892 QVBKNTFOEZEHJC-UHFFFAOYSA-N 338.433 1.609 0 40 EDAB COc1cccc(C(=O)N2CC[C@@H](C(=O)Nc3cnn(C)c3)C2)c1 19750291 JRXAQTRQTLHGQN-CYBMUJFWSA-N 328.372 1.530 0 40 EDAB Cn1cc(-c2cncc(CNC(=O)OCCN3CCOCC3)c2)cn1 575616832 QENYJROJNAGJPZ-UHFFFAOYSA-N 345.403 1.041 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)OC[C@H]2COC(C)(C)O2)cc1 3404576 KOACKCSHRIYZMF-LBPRGKRZSA-N 343.401 1.245 0 40 EDAB Cc1cccc(OCC(=O)NCC2CCN(C(=O)N(C)C)CC2)c1 1888878970 YORXMJQWJZBRAA-UHFFFAOYSA-N 333.432 1.884 0 40 EDAB CCCc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)s1 31274477 RECSBXHVYUDPDN-NSHDSACASA-N 345.428 1.873 0 40 EDAB CCc1cnc(OC2CCN(C(=O)N3CCN(C)CC3)CC2)nc1 1776001959 VPYAVLITNSQQKK-UHFFFAOYSA-N 333.436 1.250 0 40 EDAB O=C([C@@H]1CCOC1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776008070 WKPXMXDBPFFCIB-SNVBAGLBSA-N 343.305 1.312 0 40 EDAB Cc1nnsc1C(=O)NCc1nc(-c2cc(C3CC3)on2)no1 238860599 KOPJODWGXAPBNU-UHFFFAOYSA-N 332.345 1.692 0 40 EDAB COc1cnc(C(=O)N2C[C@@H]3OCCN(CC4CCCC4)[C@H]3C2)cn1 2056223344 GXVUAZVTAQWUEH-HOTGVXAUSA-N 346.431 1.201 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3csnn3)CC2)N1 1614939109 RMXUGMXYSHHKGU-LBPRGKRZSA-N 343.412 1.212 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N(C)C)cc1F 11898950 ZYMOLGNRIMKFJS-MRXNPFEDSA-N 346.406 1.830 0 40 EDAB CCOCC(=O)N1CCC[C@@](Nc2ccccc2)(C(=O)N(C)C)C1 2055751082 GJOHFGHNDJSMIL-SFHVURJKSA-N 333.432 1.584 0 40 EDAB Cn1c(C(=O)N2CCC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)cccc1=O 2055835235 WJWYWIRNNHQUQY-DNVCBOLYSA-N 346.427 1.576 0 40 EDAB O=C1N(CN2CCOCC2)c2ccccc2C12O[C@@H]1CCCC[C@H]1O2 20530851 OIDQFQKNUOKTBM-IAGOWNOFSA-N 344.411 1.834 0 40 EDAB CSCC[C@H](O)CNC(=O)C(=O)Nc1cccc(SC)c1 1775967613 YAWYNJWGBZBMOI-NSHDSACASA-N 328.459 1.577 0 40 EDAB Cc1nnsc1C(=O)/N=c1\sc2cc3c(cc2n1C)OCO3 100911701 RZVAXWVHEIKPSV-YPKPFQOOSA-N 334.382 1.870 0 40 EDAB C[C@H](C(=O)N[C@H]1CCSC1=O)n1nc(-c2ccccc2)ccc1=O 44395719 GAJUACOCXOTSLC-RISCZKNCSA-N 343.408 1.620 0 40 EDAB COc1nc(CNC(=O)c2nc3ccccc3s2)nc(N(C)C)n1 575606227 GNYXTQRFVSZGBT-UHFFFAOYSA-N 344.400 1.486 0 40 EDAB O=C(Cc1ccc(F)cc1F)NCCn1ccnc1-c1cnccn1 575608924 HPRFHFHXNAWHKS-UHFFFAOYSA-N 343.337 1.977 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@H](Oc2ccncn2)C1 575611554 ZYQUYJUNJXBBHV-PMUGQKEBSA-N 339.351 1.898 0 40 EDAB COc1ccc(C(=O)N[C@H]2CCc3nc(N(C)C)ncc3C2)cc1F 606440852 WLHNDYSISGAKKB-ZDUSSCGKSA-N 344.390 1.978 0 40 EDAB O=S(=O)(NCc1ccccc1Cn1cccn1)N1CCCCC1 40050410 MQCLXJUKJUTING-UHFFFAOYSA-N 334.445 1.752 0 40 EDAB CCOC(=O)c1nnn2c1nc(N1CCOCC1)c1ccccc12 159246 IQTOGKOJDLWZPS-UHFFFAOYSA-N 327.344 1.291 0 40 EDAB Cc1sc2nc(SCC(N)=O)n(N)c(=O)c2c1-c1ccccc1 36646122 AVFAWKCLTLTFLB-UHFFFAOYSA-N 346.437 1.725 0 40 EDAB COc1ccc(OC)c(C(=O)Cn2nnc3ccccc3c2=O)c1 1328181 DIIJQZDKRFCMIQ-UHFFFAOYSA-N 325.324 1.692 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)CCc1nc(-c2cccnc2)no1 40510994 HUZKVASBHJXXAL-CQSZACIVSA-N 329.404 1.665 0 40 EDAB OC[C@@H](O)[C@H](O)c1nn(-c2ccccc2)c2nc3ccccc3nc12 1659030 SZIWVPXLZYHQFM-PBHICJAKSA-N 336.351 1.355 0 40 EDAB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)C1 75126644 JCWBLZVZAFZROH-AWEZNQCLSA-N 349.431 1.857 0 40 EDAB Cc1c(NC(=O)C2=NN(C)C(=O)CC2)c(=O)n(-c2ccccc2)n1C 32193240 JTZACHQIWPXVMW-UHFFFAOYSA-N 341.371 1.031 0 40 EDAB CCCCNC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1OC 6592404 MYTVVIWPSPCCDR-UHFFFAOYSA-N 342.461 1.931 0 40 EDAB Cc1cccc(OCCN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)c1 101640066 SGYIUEYTXIRNFA-HNNXBMFYSA-N 327.384 1.725 0 40 EDAB COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H](O)CN2)cc1Br 37045622 JUFBJGYGWFAQDT-PEXQALLHSA-N 343.221 1.358 0 40 EDAB COc1ccc(C(=O)NCC(C)C)cc1S(=O)(=O)NC(C)C 8475837 ABZINEKJGMUCMU-UHFFFAOYSA-N 328.434 1.768 0 40 EDAB COc1cc(CN(C)CCCS(N)(=O)=O)ccc1OC(F)F 68455754 JIIYRUGEVVTFMS-UHFFFAOYSA-N 338.376 1.407 0 40 EDAB COc1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@H]3NC2=O)c(OC)c1 9225496 LVRIRUSOPYDFAW-GZBFAFLISA-N 347.415 1.432 0 40 EDAB COc1ccc2nc(CN3CCn4c(CO)nnc4C3)ccc2c1 57822870 SEDUABJSWSFLNU-UHFFFAOYSA-N 325.372 1.343 0 40 EDAB COC(=O)C(C)(C)NC(=O)CN1C(=O)COc2ccc(Cl)cc21 37175898 IUKLJMFIZRRGLJ-UHFFFAOYSA-N 340.763 1.133 0 40 EDAB CC(=O)N1CCN(c2c(NCc3cccc(Cl)c3)c(=O)c2=O)CC1 101701672 FAERWPGWYYNGHR-UHFFFAOYSA-N 347.802 1.217 0 40 EDAB O=C(COc1ccccc1)NCCNC(=O)c1scnc1Cl 53478842 RFCXEOFSDSEJMA-UHFFFAOYSA-N 339.804 1.722 0 40 EDAB C[C@H]1CN([C@@H](C)CNC(=O)CNC(=O)CC(C)(C)C)C[C@@H](C)O1 53800295 OVWPMURXLFCQOG-MELADBBJSA-N 327.469 1.153 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)NCCNC(=O)c1ccco1 23041656 ARWHLSSDLFPOJD-UHFFFAOYSA-N 325.365 1.040 0 40 EDAB COc1ccc2nc(C)c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2c1 54117045 JWSSSXDMBGFDFO-ZDUSSCGKSA-N 348.424 1.811 0 40 EDAB CCOC(=O)C1=C(CSc2nnc(C(C)(C)C)o2)NC(=O)NC1 42569239 AMXLRUMVVMHLHZ-UHFFFAOYSA-N 340.405 1.589 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N(C)C[C@H]1COc2ccccc2O1 47027693 NTHDVRPCFOUHHG-KBPBESRZSA-N 330.388 1.753 0 40 EDAB CCc1nc(CN2CCN(c3ncnc4c3cnn4C)CC2)cs1 23904228 NVBCQILMLATVFZ-UHFFFAOYSA-N 343.460 1.704 0 40 EDAB CCC[C@]1(C)NC(=O)N(CC(=O)NCCc2ccc(OC)cc2)C1=O 47203025 WGPBKOBSADUJPM-SFHVURJKSA-N 347.415 1.465 0 40 EDAB C[C@H](OC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)N1CCNC1=O 7864856 MGLUANGBMTUAQU-ZJUUUORDSA-N 336.413 1.970 0 40 EDAB COCc1nc(N2CCN(C)CC2)[nH]c(=O)c1CCc1ccccc1 22448740 MWKVOOVSAYUYTN-UHFFFAOYSA-N 342.443 1.453 0 40 EDAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCC2(CC1)OCCO2 24997887 RCRXCEKCLOJZID-OAHLLOKOSA-N 344.411 1.943 0 40 EDAB CC(=O)N1CCC(NC(=O)COC(=O)c2cc3ccccc3[nH]2)CC1 43925642 SUCISSDWNKDKCU-UHFFFAOYSA-N 343.383 1.452 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)N[C@@](C)(c2c(F)cccc2F)C1=O 44944293 DHHRSOQLAQZQJH-KRWDZBQOSA-N 347.321 1.953 0 40 EDAB Cc1cnc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cn1 58370747 PDHPWDMHZOQYHJ-INIZCTEOSA-N 338.411 1.749 0 40 EDAB O=C([C@@H]1CSCN1)N1CCN(Cc2ccc(Cl)s2)CC1 37799881 GCSWHYPVNSOSDO-NSHDSACASA-N 331.894 1.708 0 40 EDAB CCCc1n[nH]c(SCCNS(=O)(=O)c2ccccc2)n1 48189182 CSUOFOMDZAVQAM-UHFFFAOYSA-N 326.447 1.828 0 40 EDAB O=C([C@H]1CCCN1Cc1nc(-c2cccs2)no1)N1CCOCC1 48264552 RHEHQGCHKGWNMH-GFCCVEGCSA-N 348.428 1.621 0 40 EDAB C[C@H](NC(N)=O)C(=O)NCc1ccc(CN2CCCCCC2)cc1 69019166 YISHNEHMKDHYFC-AWEZNQCLSA-N 332.448 1.736 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)NCc3cc[nH]n3)cn2)CCO1 48263291 RNCZVTGSIRRQGP-GFCCVEGCSA-N 330.392 1.029 0 40 EDAB CCCCNC(=O)CN1CCN(Cc2noc(CCCC)n2)CC1 48302957 CQRGRFJNVRITSJ-UHFFFAOYSA-N 337.468 1.446 0 40 EDAB O=C([C@@H]1CCCN(Cc2nc(-c3ccco3)no2)C1)N1CCOCC1 48340650 GGWDRMYYPZZPNY-CYBMUJFWSA-N 346.387 1.400 0 40 EDAB CCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 12811444 YDUYNCPWDOMUGJ-UHFFFAOYSA-N 326.418 1.124 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NC(=O)NC1CCCCC1 6086841 DOENOFULYPIUTF-UHFFFAOYSA-N 328.372 1.555 0 40 EDAB Cc1cc(NC(=O)c2ccc(F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 17011638 VDSKFKMEFZQQQC-ZDUSSCGKSA-N 337.376 1.943 0 40 EDAB CCN1C[C@H](C(=O)NC[C@@H](C)N2CCc3sccc3C2)CC1=O 65399590 KVHHFEFGZJKFOT-TZMCWYRMSA-N 335.473 1.479 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NC[C@@H](C)N(C)C 65440014 DZJGPYGEIWJQOS-KGLIPLIRSA-N 330.436 1.920 0 40 EDAB CCC[C@H](C)N1C[C@@H](C(=O)NCCNC(=O)c2ccoc2)CC1=O 65412893 DKRBXLUOQYGXBU-JSGCOSHPSA-N 335.404 1.163 0 40 EDAB COC(=O)CNC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 65578945 JVFDXUMEXHACPG-UHFFFAOYSA-N 346.240 1.328 0 40 EDAB COc1ccc(C2(C(=O)N[C@@H]3CCS(=O)(=O)C3)CCCC2)cc1 65591265 PPWZTWZFKSDPTL-CQSZACIVSA-N 337.441 1.810 0 40 EDAB CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1 65553951 ANTZZZZZKRTDPH-DGCLKSJQSA-N 328.459 1.665 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(C(=O)Nc2ccccc2F)CC1 65585042 DJWXJVOWHJBVFO-CYBMUJFWSA-N 336.411 1.888 0 40 EDAB C[C@H]1CCc2c(sc3ncnc(N4CCN[C@@H](C(N)=O)C4)c23)C1 14135955 WCBPASRKNMZYPH-GXSJLCMTSA-N 331.445 1.080 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccc(F)cc1)C2=O 4514756 XRTCMEBYTNOZAX-KPZWWZAWSA-N 347.390 1.943 0 40 EDAB NC(=O)c1ccsc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O 5560721 AHOCEAAPNKLWDR-UHFFFAOYSA-N 347.183 1.349 0 40 EDAB Cc1cc(=O)oc2c3c(ccc12)OCN(CCCN1CCOCC1)C3 6669926 XIDLHCNZGGAZJH-UHFFFAOYSA-N 344.411 1.976 0 40 EDAB CCCCN(C)CC1CCN([C@@H](C)C(=O)NC(=O)NC2CC2)CC1 66960787 ZPGHDONODGUWKR-AWEZNQCLSA-N 338.496 1.807 0 40 EDAB COc1ccc(C(=O)NCCN2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)cc1 69740713 KZEPEQSPRMRGLH-YOEHRIQHSA-N 345.443 1.225 0 40 EDAB Cn1cc(CN2CCCN(C(=O)[C@H]3C[C@@H]3c3cccnc3)CC2)cn1 69741847 ZRNSNNGRACTYBW-MSOLQXFVSA-N 339.443 1.653 0 40 EDAB O=C([C@H]1CCCN1C[C@H](O)c1cccc(F)c1)N1CCSCC1 67117604 DRFAPGFOSNGXJU-CVEARBPZSA-N 338.448 1.899 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)Nc3nncs3)C2)n1 69701445 URRLNYYBNVDRKP-LBPRGKRZSA-N 335.437 1.097 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC(Nc2cccnn2)CC1 69737977 XUIZSUUEONZBMK-HOCLYGCPSA-N 348.447 1.854 0 40 EDAB CCOCCN1CCN(CCC(=O)N2CCc3ccccc32)CC1 69738277 IRXHCOYXBXCWMI-UHFFFAOYSA-N 331.460 1.620 0 40 EDAB CCOC(=O)C1=C(CSc2nncs2)NC(=O)N[C@@H]1CC 7194934 PUCNPOGOJFYFAV-SSDOTTSWSA-N 328.419 1.539 0 40 EDAB NC(=O)[C@@H]1CCCCN1C(=O)CSc1ncnc2sccc12 7329407 YGXBYUBWAJOHKM-JTQLQIEISA-N 336.442 1.650 0 40 EDAB COC[C@](C)(NC(=O)c1cc(C2CC2)nc2ccccc12)C(N)=O 69843769 AVWRCFQNFCVMQD-SFHVURJKSA-N 327.384 1.732 0 40 EDAB COC(=O)c1ccc(COC(=O)c2nc3nccc(C)n3n2)cc1 7562932 VRVJAPBOESBIBC-UHFFFAOYSA-N 326.312 1.576 0 40 EDAB CCn1c(C)nnc1CN(C)[C@@H]1CCN(C[C@H](O)c2ccccc2)C1 83836834 HETQMURCAPJQCL-MSOLQXFVSA-N 343.475 1.846 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1S(C)(=O)=O 96000371 AFCNEFMGZGYUSB-INIZCTEOSA-N 349.456 1.881 0 40 EDAB CN(Cc1ccsc1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 71909448 QUAMMLSRLJSPOS-UHFFFAOYSA-N 336.438 1.855 0 40 EDAB Cc1ccc(C)c(OCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 9367221 CXILTEDCXJGFGH-UHFFFAOYSA-N 328.372 1.130 0 40 EDAB c1ccc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1 96411868 PBYPAXQIEUMAJS-UHFFFAOYSA-N 326.404 1.035 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2CCNS(=O)(=O)c2ccccc2)c1 71875957 MEFPFTGUAOIUHP-INIZCTEOSA-N 348.472 1.634 0 40 EDAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccnc1 71890273 IFKOLOUJURUCCL-LBPRGKRZSA-N 341.433 1.712 0 40 EDAB CCOC(=O)CN(C)C(=O)CN1CCC[C@@H]1c1cccc(OC)c1 71893057 QPTPNMHQBCEVIM-MRXNPFEDSA-N 334.416 1.854 0 40 EDAB C[C@H](C1CC1)N(Cc1ccccc1)Cc1cc(=O)n(C)c(=O)n1C 71844474 ZISQVTKSEKNNBI-CQSZACIVSA-N 327.428 1.885 0 40 EDAB Cc1cc(C)n(C2CN(CC(=O)N3CCO[C@H]4CCCC[C@H]43)C2)n1 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NZNRTLGOAISENB-UHFFFAOYSA-N 335.375 1.613 0 40 EDAB Cc1ccc(-c2ncc(CN3CCN(S(N)(=O)=O)CC3)s2)o1 95982431 HDEYPHWGGVHLGE-UHFFFAOYSA-N 342.446 1.033 0 40 EDAB CCS(=O)(=O)N1CCN(Cc2cnc(C(C)(C)C)s2)CC1 95982454 GKCZKSDZYJCBQU-UHFFFAOYSA-N 331.507 1.908 0 40 EDAB C[C@@H](C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1)n1cccn1 95965349 LBBGHVPGVFQCSL-GOEBONIOSA-N 327.384 1.945 0 40 EDAB Cc1cc(O)cc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 95997832 HFROQBKZQLXBSS-LJQANCHMSA-N 340.423 1.850 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3ccnc(N(C)C)c3)CCO2)n1 89289792 AYGDTZVYPVFYLB-LBPRGKRZSA-N 330.392 1.042 0 40 EDAB CSCc1nnc(SCC(=O)NC(=O)NCc2ccco2)o1 9954857 YRQWXYDLMOXNEB-UHFFFAOYSA-N 342.402 1.644 0 40 EDAB CCOC(=O)[C@@H]1CN(C(=O)CC(C)C)CCN1C(=O)CC(C)C 78879263 LFUCDQWJCOLWML-AWEZNQCLSA-N 326.437 1.681 0 40 EDAB C[C@@H](NC(=O)N1CCCN(CC(F)(F)F)CC1)c1cnn(C)c1 78953096 NCBMVLHLKDOJOR-LLVKDONJSA-N 333.358 1.761 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)c1ccc3nnnn3c1)CC2 79495193 IRBVKUUSPREFAS-UHFFFAOYSA-N 339.355 1.340 0 40 EDAB CCc1oc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)cc1C 122162001 CUQLOLXRFIPLMG-HUUCEWRRSA-N 347.459 1.871 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccccc3)C[C@H]1C2 306131702 KNHVCEJYACAJCD-CVEARBPZSA-N 339.443 1.721 0 40 EDAB CCOC(=O)c1cn(CC(F)F)nc1I 408717529 FZHIFWUNYVUEJS-UHFFFAOYSA-N 330.072 1.930 0 40 EDAB Cc1nc([C@H]2CCO[C@H]2CN(C)C(=O)c2sc(C)nc2C)n[nH]1 1551661538 CBMOJPKRVNBKNF-RYUDHWBXSA-N 335.433 1.831 0 40 EDAB Cc1cccc(CS(=O)(=O)c2nnc(N3CCOCC3)s2)c1 77536937 STZFLDHUKMJCOU-UHFFFAOYSA-N 339.442 1.657 0 40 EDAB O=C(NC[C@H](O)C1CCOCC1)[C@@H]1CCCN1Cc1ccccc1 77050005 PVTNUWYMPFEUCO-ROUUACIJSA-N 332.444 1.555 0 40 EDAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(C)(=O)=O)[C@@H]1c1ccccc1 218010366 BIHAXRFYSAOILU-STQMWFEESA-N 340.397 1.310 0 40 EDAB O=C(CNCCN1CCOCC1)Nc1ccc(N2CCCC2)cc1 35311456 LIHGISOJINGTDA-UHFFFAOYSA-N 332.448 1.147 0 40 EDAB O=C(CCc1cncnc1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 560388864 JTRQRIWOUAGXBO-UHFFFAOYSA-N 326.404 1.359 0 40 EDAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CO)cc1 218518251 RFIBODUCCUMGBI-FGTMMUONSA-N 331.437 1.879 0 40 EDAB O=C(Nc1c[nH]nc1-c1nccs1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 560423429 IFABFGZGQKEVIO-RBLKWDMZSA-N 329.385 1.950 0 40 EDAB CN1CCO[C@H](C(=O)N2CC[C@H](OCCCc3ccccc3)C2)C1 79960749 QAGZDAVAYIUMSQ-ROUUACIJSA-N 332.444 1.567 0 40 EDAB CN(C)c1cc(C(=O)NCCc2n[nH]c(-c3ccco3)n2)ccn1 78912095 UWFGUPOEAISNCT-UHFFFAOYSA-N 326.360 1.498 0 40 EDAB c1cc(CN2CCC(N3CCCCC3)CC2)nc(N2CCOCC2)n1 72348180 ASPLTPMLEPNWHB-UHFFFAOYSA-N 345.491 1.764 0 40 EDAB CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccnc(C)c2)CC1=O 79049997 DUPXHTQKKDPCOK-GDBMZVCRSA-N 330.432 1.661 0 40 EDAB CCc1nc(N)n(CC(=O)NCc2cccc(OC)c2)c(=O)c1C 49411041 SSVNRALIBUYIIW-UHFFFAOYSA-N 330.388 1.021 0 40 EDAB CN([C@H]1CCc2ccccc2C1)S(=O)(=O)c1cncc(C(=O)O)c1 567799660 ZLEIQWLFGPTIOV-HNNXBMFYSA-N 346.408 1.958 0 40 EDAB N[C@@H]1CCCC[C@H]1N/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 135901780 VMNVYGXDZFTPSS-HVDISPMTSA-N 344.440 1.178 0 40 EDAB Cc1noc(CCNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)n1 81617475 NLDUWWZNHISZHQ-UHFFFAOYSA-N 347.766 1.044 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](Oc2cnccn2)C1 225474659 GGFCANFBEKICEZ-AWEZNQCLSA-N 329.404 1.819 0 40 EDAB CCN1C[C@@H](CN(C)S(=O)(=O)N(C)C(C)C)Oc2ccccc21 40105617 RDOQBZOSNRGKSJ-CQSZACIVSA-N 341.477 1.791 0 40 EDAB Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc(O)nc(C2CC2)n1 574219350 LQHHXSONAWEGAW-LLVKDONJSA-N 343.387 1.939 0 40 EDAB Cc1ccccc1CCNC(=O)c1cc(S(N)(=O)=O)cnc1C 579975112 HYUFYCNHUDWYRJ-UHFFFAOYSA-N 333.413 1.318 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96223285 RQFXRSZOKUWOQY-MLGOLLRUSA-N 346.366 1.215 0 40 EDAB Cc1ccc(CN2CC[C@@H]3CN(CC(=O)N(C)C)CCO[C@@H]3C2)cc1 96249651 HJMIWAGGQAGHNJ-RTBURBONSA-N 345.487 1.606 0 40 EDAB Cc1cccc(N2CCN(CCC(=O)Nc3ccn(C)n3)CC2)c1 96427109 DNIQIQRECWAABA-UHFFFAOYSA-N 327.432 1.879 0 40 EDAB O=C(O)[C@]12CCCN([C@@H]3CCOC3)C[C@H]1CN(Cc1cnco1)C2 96064291 VETAHCWWXYGVSD-CPUCHLNUSA-N 335.404 1.062 0 40 EDAB Cc1cc([C@](C)(O)CNC(=O)c2sccc2-n2cnnn2)c(C)o1 96444503 SMCRSFIYVXHLLG-OAHLLOKOSA-N 347.400 1.571 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@]2(COCCN(c3ccccn3)C2)C1 96229058 FOKNOFOWHQUJLS-GOSISDBHSA-N 341.415 1.564 0 40 EDAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@@H](O)C(F)(F)F)C1=O 97378052 XBGVSAFPWCQZSH-DOMZBBRYSA-N 342.317 1.866 0 40 EDAB Cc1ccsc1CN1C[C@@H](OCC(=O)N(C)C)[C@H]2OCCC[C@H]21 96042379 IIFYMDUQNWPWPC-CPUCHLNUSA-N 338.473 1.893 0 40 EDAB Cc1cc(CC(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)no1 96483844 AFRFGYYYEXDLTH-UHFFFAOYSA-N 339.399 1.746 0 40 EDAB CC(C)(C)OC(=O)NC1(c2noc(CNS(C)(=O)=O)n2)CCC1 96405326 XRLKLOPTZITQFR-UHFFFAOYSA-N 346.409 1.023 0 40 EDAB COCCN1CCN(C(=O)c2ccnnc2)Cc2ccc(C)nc21 96069227 VAKZILHUFXJMMM-UHFFFAOYSA-N 327.388 1.289 0 40 EDAB O=C(Nc1nnn[nH]1)c1cc(-c2ccc(Br)s2)n[nH]1 95473251 VVMCKXKSJISAFM-UHFFFAOYSA-N 340.166 1.666 0 40 EDAB O=C(c1cocn1)N1C[C@@H]2CN(Cc3ccsc3)CCO[C@@H]2C1 96108233 ZCGXUFGGAODIFO-DZGCQCFKSA-N 333.413 1.709 0 40 EDAB Cc1nnsc1C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96365446 QSXZOSJKYFSOTI-LBPRGKRZSA-N 337.426 1.535 0 40 EDAB O=C(c1ccno1)N1CCO[C@@H]2C[C@H](COCc3ccccn3)C[C@H]21 96250847 BOJQBISVVHSZCF-FRFSOERESA-N 343.383 1.906 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cc3cccc(OC)c3o2)C1 97235493 IMZMGOWESSGBKI-AWEZNQCLSA-N 338.429 1.955 0 40 EDAB C[S@@](=O)(=NS(=O)(=O)NCC(F)(F)C(F)F)c1ccccc1 585137733 RFGWKQULDRAFRC-FQEVSTJZSA-N 348.343 1.878 0 40 EDAB O=C(C1CCOCC1)N1Cc2cncn2[C@@H](COc2ccccn2)C1 247884142 WMQGPFSCRATGTD-MRXNPFEDSA-N 342.399 1.667 0 40 EDAB Cc1nc(-c2cc(NC(=O)NCCO)cc(C(F)(F)F)c2)n[nH]1 585119479 IRYSOKBWMJYXHN-UHFFFAOYSA-N 329.282 1.913 0 40 EDAB C[C@@H](CC(=O)N(C)[C@@H]1CS(=O)(=O)C[C@H]1O)Cc1cccc(F)c1 585128002 PCPXARYVKLSWRE-KCPJHIHWSA-N 343.420 1.011 0 40 EDAB C[C@@]1(c2[nH]ncc2S(C)(=O)=O)CCCN(C(=O)c2cccnc2)C1 257221532 DPLULHLWTVRVLM-MRXNPFEDSA-N 348.428 1.402 0 40 EDAB CNC(=O)[C@@]1(C)CN(C(=O)Cc2ccc(F)c(Cl)c2)CCO1 257336320 YNXKMXIKUUTOCQ-OAHLLOKOSA-N 328.771 1.385 0 40 EDAB Cc1ncsc1CN1C[C@@H](O)[C@H](Oc2ccc(CC(=O)O)cc2)C1 257206383 BDDRLRCFVZFSCM-HUUCEWRRSA-N 348.424 1.703 0 40 EDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2ncoc2C)n1 257227047 FNJXBGVTLOFHSZ-AWEZNQCLSA-N 329.360 1.386 0 40 EDAB CC(C)(C(=O)NCCOc1ccc(F)cc1F)S(=O)(=O)C1CC1 252497991 QTFUSKNZVMQSSK-UHFFFAOYSA-N 347.383 1.816 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(Cc3nccn3C)CCN2C)c1 257270034 MSNLRWIYONNZNI-MRXNPFEDSA-N 327.432 1.268 0 40 EDAB CC(=O)N1CCC[C@H]2N(C(=O)Cn3nc(C)cc3C)CCC[C@@]21C 257261803 LIWTZRRPMUAGHJ-AEFFLSMTSA-N 332.448 1.892 0 40 EDAB Cc1cc(N2CC[C@@H](n3ccnn3)C2)n2nc(C(F)(F)F)nc2n1 585092468 YRKLZEVKNJNHOP-SECBINFHSA-N 338.297 1.494 0 40 EDAB CN(C)[C@@H](C(=O)Nc1cccc2c1OCC(=O)N2)c1cccnc1 585084979 UDFOUDCBBVYAHA-OAHLLOKOSA-N 326.356 1.654 0 40 EDAB C[C@]1(C(=O)O)CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 262153559 MANDBZKFYORLFG-GUYCJALGSA-N 337.420 1.237 0 40 EDAB O=C(O)CN1CCCC[C@H](N2CCN(c3cccc(F)c3)CC2)C1=O 635021805 NOMZVUHBSSHVDV-INIZCTEOSA-N 349.406 1.413 0 40 EDAB O=C(O)CN1CCCC[C@@H](Nc2ccc(C(F)(F)F)nn2)C1=O 1615571222 GZQVEYFMWYKHKW-MRVPVSSYSA-N 332.282 1.373 0 40 EDAB COC(=O)c1cc(CN2CC[C@H](S(C)(=O)=O)C2)c(Cl)cc1O 1615613775 JZIJCWHJKSINLK-JTQLQIEISA-N 347.820 1.451 0 40 EDAB CC(C)(C)OC(=O)N1CC2(C1)OCCCN2C(=O)[C@@H]1CCCCO1 1615606141 SWECQGCKFJNVRO-ZDUSSCGKSA-N 340.420 1.751 0 40 EDAB O=S(=O)(NC1CC(NCC(F)(F)F)C1)c1cccc(F)c1 1615605347 KSRKMJLPBMSTNT-UHFFFAOYSA-N 326.315 1.787 0 40 EDAB O=C(Cc1ccc(NC(=O)N2CCNC2=O)cc1)NCC(F)(F)F 96103642 KWGYUGHOTGSXIO-UHFFFAOYSA-N 344.293 1.465 0 40 EDAB Cc1nc2c([nH]1)C[C@@H](C(=O)N1CCC(c3ccnn3C)CC1)CC2 585139968 FYCFOEDKHUQMMM-AWEZNQCLSA-N 327.432 1.963 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCCn1nc2c(cc1=O)CCCC2 585150029 SPNGQLOSDJFUFX-CQSZACIVSA-N 341.411 1.706 0 40 EDAB Cc1ccccc1O[C@@H]1CCC[C@H](NCCN2CCOCC2)[C@H]1O 585289904 WWSQHKWQMPGHAO-QXAKKESOSA-N 334.460 1.578 0 40 EDAB CN(C(=O)/C=C/c1cnc[nH]1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 585292308 ZYMSGWWIXOVJFB-RRGVISTESA-N 328.372 1.247 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCCN(C(=O)c3ncccn3)C2)c1 585269330 PJWRDMWGDIIVFW-GOSISDBHSA-N 327.384 1.831 0 40 EDAB Cn1cc(/C=C/C(=O)N2CCC[C@]23CC(C)(C)O[C@H]3CC(N)=O)cn1 585287698 BCESSZBFSPDJCI-MVWKGKBHSA-N 346.431 1.237 0 40 EDAB CCCc1ncc(CN2CC[C@@H](OC)[C@H](CC(=O)N(C)C)C2)cn1 585275878 HUICOCKZCQLFIW-HZPDHXFCSA-N 334.464 1.744 0 40 EDAB O=C(CCn1cncn1)N1CCN(Cc2ccc(Cl)s2)CC1 55530934 GSWGYFRNUPTLFW-UHFFFAOYSA-N 339.852 1.728 0 40 EDAB Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C(N)=O)c2)on1 55258633 ZKPWJFRIJUQPLE-CQSZACIVSA-N 349.412 1.916 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)c3cn4cccnc4n3)CC2)o1 65553662 HOLYOBOKWMDQRH-UHFFFAOYSA-N 339.355 1.229 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CC[C@H](N2C(=O)CNC2=O)C1 585331485 MUJSBIUDSMDHMD-JTQLQIEISA-N 337.763 1.115 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCC1(OCCO)CCSCC1 888106981 HICDKVDMKMQVLZ-AWEZNQCLSA-N 339.457 1.845 0 40 EDAB CO[C@@H](C)CS(=O)(=O)N1CC[C@H](C(F)(F)F)n2nccc21 1615588173 PCVURDROMOALML-DTWKUNHWSA-N 327.328 1.561 0 40 EDAB C[C@@H](CCNS(=O)(=O)c1cc(C(=O)O)oc1Cl)CC(=O)O 1616038007 DFLHMWBGTZAKMC-LURJTMIESA-N 339.753 1.410 0 40 EDAB CCCc1nn(CC(=O)NCCOC)c(=O)c2cc3ccsc3n12 12181662 SETVQQJNRQPTBY-UHFFFAOYSA-N 348.428 1.426 0 40 EDAB CCS(=O)(=O)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 12293099 XGTQTBUNYDMOOF-UHFFFAOYSA-N 347.444 1.692 0 40 EDAB COCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 13583015 KHMBWTUSVAFUER-UHFFFAOYSA-N 340.445 1.546 0 40 EDAB COc1ccc(CCNC(=O)c2cc(=O)c(OC)co2)cc1OC 16850758 ZVUJEENVXQANNH-UHFFFAOYSA-N 333.340 1.638 0 40 EDAB biogenic CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C3CC3)nc(O)c2C1 19018050 FOSGNPDKFZQLGV-OAHLLOKOSA-N 344.415 1.550 0 40 EDAB O=C(CN1CCC[C@@H]1c1n[nH]c(-c2ccncc2)n1)N1CCCC1 19405801 WWOCOOQZTZGITI-CQSZACIVSA-N 326.404 1.626 0 40 EDAB CC(C)n1nnc(CC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)n1 19462179 OIYBGOOILMRQLW-SECBINFHSA-N 330.348 1.155 0 40 EDAB CCCCN1C[C@@H](C(=O)OCC)[C@@]2(COc3ccccc3C(=O)N2)C1 19502247 KWFVFCKGJXHNDS-KXBFYZLASA-N 346.427 1.843 0 40 EDAB CCC[C@@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1 19501901 VPWSQSDNZNKJKK-INIZCTEOSA-N 336.484 1.721 0 40 EDAB CN1C[C@H](C(=O)N2CCC[C@@H](c3cc4cccnc4[nH]3)C2)CC1=O 19587247 UXSMKQFVPFVTSS-ZIAGYGMSSA-N 326.400 1.747 0 40 EDAB Cc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(C)n1C[C@@H]1CCCO1 8334313 JLLZGRBBBPZPOO-IAOKNECISA-N 347.440 1.540 0 40 EDAB CCCNC(=O)C(=O)NCCCN1CCO[C@H](c2ccccc2)C1 17286093 XCMGHXFBFHHNHZ-INIZCTEOSA-N 333.432 1.092 0 40 EDAB O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862741 XKAVJEGKFQKJFI-ZDUSSCGKSA-N 340.420 1.646 0 40 EDAB COc1ccc(CN2CCO[C@H](C(=O)N3CCSCC3)C2)cc1 1888844382 XMDLJBVJGJQRGG-INIZCTEOSA-N 336.457 1.471 0 40 EDAB CS(=O)(=O)c1cccc2sc(N3CCC[C@H]3C(N)=O)nc12 1889101216 RCMBGSUBHJPOFK-QMMMGPOBSA-N 325.415 1.154 0 40 EDAB COc1ccc(S(=O)(=O)N(C)[C@H](C)CC(C)C)cc1C(N)=O 26816996 DZVLNAHCUXQMBI-LLVKDONJSA-N 328.434 1.849 0 40 EDAB C[C@@H]1CCCN(Cc2csc(NC(=O)C3=NN(C)C(=O)CC3)n2)C1 28677978 RIBIOEFKQPRUII-LLVKDONJSA-N 349.460 1.922 0 40 EDAB O=C(NCCOc1ccc(F)cc1)c1ccc(N2CCOCC2)nc1 30130490 JFMJTVJMCLXUPX-UHFFFAOYSA-N 345.374 1.866 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCCCC3)cnc21 32908239 CGPTYIGEBRKCJL-UHFFFAOYSA-N 330.388 1.557 0 40 EDAB Cc1cc(C(=O)N2CCC(N(C)c3ncc(Cl)cn3)CC2)n(C)n1 1068650122 CXHQNKPTGUZHBW-UHFFFAOYSA-N 348.838 1.913 0 40 EDAB Cc1noc(C[C@H]2CO[C@@H]3CN(C(=O)Cc4ccc(F)cn4)C[C@@H]32)n1 1565542738 YXFVLCRRJBXDFV-NILFDRSVSA-N 346.362 1.171 0 40 EDAB CCOc1ccccc1NC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 4941514 HWNMCCWMAJFNJT-ZDUSSCGKSA-N 348.399 1.826 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N(C)C)cc1F 11898949 ZYMOLGNRIMKFJS-INIZCTEOSA-N 346.406 1.830 0 40 EDAB CCOc1ccccc1NC(=O)CN1C(=O)[C@H](C)S[C@H](C)C1=O 13136682 DSXIMSYFRUWQEU-PHIMTYICSA-N 336.413 1.903 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2ccccc2F)C1 2055772072 UOLAHXMNRBCRCM-KRWDZBQOSA-N 330.363 1.400 0 40 EDAB Cc1cccnc1NC(=O)C1CN(c2cc(-n3ccnc3)ncn2)C1 575609147 JQUJNYSCDWNCNG-UHFFFAOYSA-N 335.371 1.441 0 40 EDAB O=C(C[C@@H]1COc2ccccc2O1)N1CCN(CC(F)(F)F)CC1 294607535 ZPOWHMRDGWLGDM-GFCCVEGCSA-N 344.333 1.923 0 40 EDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1 40086196 ZJXVXCCTTFUINE-BYNSBNAKSA-N 346.493 1.921 0 40 EDAB CN(C)C1(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CCCC1 40090068 JAZOTEUWCXKCSZ-UHFFFAOYSA-N 340.445 1.611 0 40 EDAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCCn1cccn1 30171066 LFAXOLCQJHFFSZ-GFCCVEGCSA-N 334.807 1.861 0 40 EDAB CC(=O)Nc1cccc(OCc2noc(C(=O)NC(C)(C)CO)n2)c1 40282968 GARCXXFQRANDBT-UHFFFAOYSA-N 348.359 1.108 0 40 EDAB COc1ccc([C@H](C)NC(=O)[C@H]2CCS(=O)(=O)C2)cc1OC 40498895 SUHRUBWOTGHOMS-JQWIXIFHSA-N 327.402 1.316 0 40 EDAB C[C@H]1CN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C[C@H](C)O1 19902513 RACLNFSSOZJNHU-UWVGGRQHSA-N 337.445 1.383 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc2[nH]1 4923053 SKROHKZHGPTIHH-UHFFFAOYSA-N 347.352 1.063 0 40 EDAB COc1ccc(N2C(=O)[C@@H]3ON=C(c4cn(C)nc4C)[C@H]3C2=O)cc1 101343927 SGWQMTLXQBWAIF-UKRRQHHQSA-N 340.339 1.030 0 40 EDAB c1cnc(OC[C@@H]2CC[C@@H]3[C@H]2OCCN3Cc2nccs2)nc1 107747258 ZDJMKGOAQFNDOR-GUTXKFCHSA-N 332.429 1.992 0 40 EDAB C[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)c2ccc(F)cc2O1 75147623 JRFMHKDHGXNFJX-SNVBAGLBSA-N 327.319 1.620 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)NCCc2ccccc2)cc1 58051535 AUKWHKRCYGBMGS-UHFFFAOYSA-N 341.411 1.853 0 40 EDAB N=C1c2ccccc2CN1NC(=O)Cn1nnc(-c2ccccc2)n1 102231897 XGFCXPSGEMCNCM-UHFFFAOYSA-N 333.355 1.212 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 107771535 IXDKEHHJWTXCSG-HOTGVXAUSA-N 340.445 1.429 0 40 EDAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)cc1 100377276 MMBBBGAUCFGRIE-IDCJVQTKSA-N 327.336 1.085 0 40 EDAB Cc1cc(NC(=O)NC[C@@H](O)CO[C@H](C)c2ccccc2)n(C)n1 46870764 ZTKIKPMAMCBJID-UKRRQHHQSA-N 332.404 1.989 0 40 EDAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1-n1cnnn1 12296600 XKWMAKMKQZZNTL-GOEBONIOSA-N 340.431 1.657 0 40 EDAB biogenic Cc1ccccc1[S@](=O)CC(=O)N[C@H](C)C(=O)N1CCCCC1 89696842 KLYYMWWAXLXUCI-FATZIPQQSA-N 336.457 1.620 0 40 EDAB O=C(CNC(=O)Nc1ccn(-c2nccs2)n1)Nc1cccnc1 89794060 LIAQCZFHPYIJOC-UHFFFAOYSA-N 343.372 1.484 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCO[C@@H]2CCC[C@H]21 53381925 TWQYKAYEOWRJLY-GHMZBOCLSA-N 335.385 1.345 0 40 EDAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)CN(C)S(C)(=O)=O)C2CC2)o1 41896822 HWTWBWVEQBQEJQ-SMDDNHRTSA-N 340.445 1.785 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N(Cc1ccccc1)CC(F)F 89832528 GKAPIRRTNDVRMG-ZDUSSCGKSA-N 346.399 1.898 0 40 EDAB CCN(CC)[C@@H](C)CNC(=O)c1ccc(Cn2ccccc2=O)o1 41924834 MOAAHTYIKPDOFF-AWEZNQCLSA-N 331.416 1.950 0 40 EDAB COc1cccc(/C=C/C(=O)N(CC(N)=O)C2CCCC2)c1OC 42092591 ZLKKKBXAKONNEA-ZHACJKMWSA-N 332.400 1.974 0 40 EDAB Cc1nc(CN2CCC3(CC2)C[C@H](NC(=O)N(C)C)CCO3)c[nH]1 108533439 YYQXYDRTXCNGSK-CQSZACIVSA-N 335.452 1.503 0 40 EDAB Cn1cc(N2CCC[C@@H](NS(=O)(=O)/C=C/c3ccccc3)C2)cn1 104157121 LUKMRTKFZXTERV-PXUDHTSWSA-N 346.456 1.979 0 40 EDAB Cc1ccc(F)c(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 23391449 XQRWMSWNZVMYJY-UHFFFAOYSA-N 344.389 1.582 0 40 EDAB CCOC(=O)N[C@H]1CCCN(CN2C(=O)c3ccccc3C2=O)C1 54517777 CARPJJQUZVUOOC-LBPRGKRZSA-N 331.372 1.451 0 40 EDAB C[C@H](Nc1ccc(Cl)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 23865143 WDYMHGKPTRPWFA-QMMMGPOBSA-N 336.779 1.003 0 40 EDAB C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(Cl)c(Cl)c1 42813369 KHVWNIYOHRFDSF-WKEGUHRASA-N 330.171 1.769 0 40 EDAB CC[C@@H]1CO/C(=C(\C(=C(Cl)Cl)N2CCOCC2)[N+](=O)[O-])N1 100636324 GXFWRYRILXIBBU-VDCRVSPTSA-N 338.191 1.810 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc2c(c1)OCO2 25290207 UQSMPQDRVDCKOK-UHFFFAOYSA-N 341.367 1.577 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3cc(F)ccc32)C1 56314928 GUIBYUAOYWDFIH-IUODEOHRSA-N 340.420 1.601 0 40 EDAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@H](C3)N2S(=O)(=O)N(C)C)cc1 100113407 UOOULBVXCDDOQJ-XJKCOSOUSA-N 340.445 1.733 0 40 EDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nccs1 28248730 ZRELWZOITBNRJN-UHFFFAOYSA-N 327.387 1.911 0 40 EDAB CC(C)OC[C@@H]1C[C@@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 35325969 RINBPLHLCMFXFO-ULKVUYOBSA-N 340.401 1.614 0 40 EDAB CC[C@@H]1CN(Cc2ccccc2)CCN1CCNS(C)(=O)=O 75917793 FOSFRVFPOCJHFL-MRXNPFEDSA-N 325.478 1.132 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1ncc2ccccc2c1=O 29005813 UECXMDNRGUGNCA-CQSZACIVSA-N 331.372 1.100 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cn2cccn2)cc1 44722858 XZBHUFCWFYQXKX-AWEZNQCLSA-N 333.413 1.096 0 40 EDAB O=C1COc2cc(C(=O)NCCN3CCc4ccccc43)ccc2N1 58163148 LEKZFRMEWLAHCL-UHFFFAOYSA-N 337.379 1.810 0 40 EDAB COc1ccccc1[C@H](CNC(=O)c1nccnc1N)N1CCCC1 27572334 ZFDBHIMCGUWLLV-AWEZNQCLSA-N 341.415 1.634 0 40 EDAB COc1ccc([C@H](CNC(=O)[C@H]2CCCO2)N2CCOCC2)cc1 36078220 MCMHTFRQHDJZLZ-DLBZAZTESA-N 334.416 1.364 0 40 EDAB O=C(NC[C@H]1CCCO1)N1CCN(Cc2cn3ccccc3n2)CC1 44890990 AKQKGPLSHMTUCB-MRXNPFEDSA-N 343.431 1.341 0 40 EDAB COc1cc2c(cc1CNC[C@@H]1CCS(=O)(=O)C1)O[C@H](C)C2 44862971 DXURMGRQFWYCFZ-NEPJUHHUSA-N 325.430 1.543 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(S(=O)(=O)NC)cc1 58210798 KYHAMURZKUWATK-GFCCVEGCSA-N 326.418 1.093 0 40 EDAB C[C@@H](CNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)N1CCOCC1 44950998 MXFGCBBFDJGIRN-UONOGXRCSA-N 349.431 1.539 0 40 EDAB O=S(=O)(NCCN1CCCCC1)c1ccc2c(c1)OCCCO2 44937453 ZIVCAWDZLYHJEJ-UHFFFAOYSA-N 340.445 1.612 0 40 EDAB O=C1CCCc2cc(S(=O)(=O)NCC[C@@H]3CCCO3)ccc2N1 58381872 IIAUFDFNPJZUFQ-ZDUSSCGKSA-N 338.429 1.809 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1 3378827 GMFVHGJXXRZMLV-INIZCTEOSA-N 349.408 1.758 0 40 EDAB C[C@H](OCC1CC1)C(=O)N1CCC(C(=O)NCc2ccco2)CC1 58406220 ZZCRCMVCVUXXOJ-ZDUSSCGKSA-N 334.416 1.950 0 40 EDAB O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)occ1O 36357448 KRFBUFJBGPUUJW-UHFFFAOYSA-N 344.367 1.392 0 40 EDAB CC(C)[C@H](CNS(=O)(=O)c1ccccc1Cl)N1CCOCC1 12768709 KQXDVYKQNWAJMR-AWEZNQCLSA-N 346.880 1.975 0 40 EDAB O=C(NCCCN1CCCCCC1=O)c1ccnc(-n2ccnc2)c1 48299117 QPIKMDHSJHEPOV-UHFFFAOYSA-N 341.415 1.790 0 40 EDAB CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CN2CCOCC2)cn1 48251279 XALJSCBNMDKAAL-HNNXBMFYSA-N 349.479 1.448 0 40 EDAB CCn1nnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 8191750 MEILBYICCXLKLW-SNVBAGLBSA-N 346.416 1.549 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccccc2F)C1=O 408548873 MONIJTLCXWKWAX-UKTHLTGXSA-N 343.314 1.682 0 40 EDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCNC(=O)c1ccco1 12890496 LJFGVSHXZIPLIE-UHFFFAOYSA-N 347.346 1.636 0 40 EDAB NC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccccc1F 3418401 IOBWZRVSKHQJON-UHFFFAOYSA-N 336.344 1.711 0 40 EDAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccncc2)c1 62639963 JCJMZXNOPZBBLL-UHFFFAOYSA-N 341.414 1.133 0 40 EDAB COC(=O)c1ccc(CNC(=O)CNC(=O)Nc2ccccc2)cc1 12999353 YVJSBBAHLMCRON-UHFFFAOYSA-N 341.367 1.911 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCC(C)CC2)c1C 3544323 LYOLWWKFLUZDPV-UHFFFAOYSA-N 336.388 1.833 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](C(C)C)N1CCOCC1 13013079 JNQSUQCPEOISGN-OAHLLOKOSA-N 344.452 1.769 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 13114372 GRONKVZAUHQTIG-MJVIPROJSA-N 346.305 1.813 0 40 EDAB CCCOC[C@@H]1C[C@]2(C[C@](C)(c3csc(N)n3)OC2=O)C(=O)O1 3999409 UVBVHSSYOFXGJL-AMFBXLIHSA-N 340.401 1.616 0 40 EDAB biogenic CCOC(=O)C1CCN(C(=O)N[C@H](C(=O)OC)[C@@H](C)CC)CC1 13557642 IRKMIRIMLNHXSQ-AAEUAGOBSA-N 328.409 1.559 0 40 EDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NC1CCCC1 13688344 PRWRULKNLURSJA-UHFFFAOYSA-N 327.384 1.780 0 40 EDAB CS(=O)(=O)NCCC(=O)NCc1ccc(Oc2ccccc2)nc1 69459391 KOKNZGNNXBFEOX-UHFFFAOYSA-N 349.412 1.429 0 40 EDAB COCCn1cnnc1SCC(=O)N(C)Cc1cccs1 39579639 HDRDQUYHGJZYSZ-UHFFFAOYSA-N 326.447 1.737 0 40 EDAB COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1ccc(=O)[nH]c1 69588269 NMMOIXGIHKBCQT-QGZVFWFLSA-N 330.340 1.115 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(OCC(F)(F)F)nc1 65463188 KKJBFRHTDIMNGT-NSHDSACASA-N 340.305 1.964 0 40 EDAB Cn1/c(=N/NS(=O)(=O)c2ccc(N)cc2)sc2ccccc21 17207984 ZQORTHQQNDMNTI-PEZBUJJGSA-N 334.426 1.616 0 40 EDAB Cc1ccccc1OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 14083297 YAZLQVYESBYKIM-UHFFFAOYSA-N 345.399 1.906 0 40 EDAB CC(=O)Nc1cc(NC(=O)N2CCN(CC(C)(C)O)CC2)ccc1C 65547784 YYBJINOONBCOFH-UHFFFAOYSA-N 348.447 1.874 0 40 EDAB COCCS(=O)(=O)c1ccc(C(=O)N2CCC(C)CC2)cc1 65592344 QLCSMLFHFGQWPW-UHFFFAOYSA-N 325.430 1.979 0 40 EDAB O=C(NCCCOCc1ccco1)c1ccc2c(c1)C(=O)NC2=O 65536971 UWSHUFFXVVGTNQ-UHFFFAOYSA-N 328.324 1.500 0 40 EDAB COCCc1noc(CN2CCCC[C@@H]2Cn2nc(C)nc2C)n1 69601325 AAKLMBNZBOCJAS-CQSZACIVSA-N 334.424 1.522 0 40 EDAB O=C(NCCc1ccc(Cl)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 5452500 XTUZGWLMNCXAKZ-UHFFFAOYSA-N 343.770 1.842 0 40 EDAB O=S(=O)(Nc1cccnc1-n1cncn1)c1c[nH]c2ncccc12 69620252 RFFXBLVGCNQCGB-UHFFFAOYSA-N 341.356 1.339 0 40 EDAB O=C1Nc2ccc(Cl)cc2[C@]1(O)Cc1n[nH]c(=O)c2ccccc12 6650566 WVHAWPWDKZRPQF-QGZVFWFLSA-N 341.754 1.959 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 69772108 LPYYKSXNYREPFC-UHFFFAOYSA-N 334.416 1.377 0 40 EDAB CN(CC(=O)NC[C@H](O)c1cccc(F)c1)C(=O)OC(C)(C)C 69779625 YADJBUKAGXBTKG-ZDUSSCGKSA-N 326.368 1.842 0 40 EDAB O=S(=O)(c1c[nH]cn1)N1CCC(c2c[nH]c3ncccc23)CC1 69702437 QSAFQHMYEYALKJ-UHFFFAOYSA-N 331.401 1.854 0 40 EDAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCCn2ncnc21 69738553 LCIZDLSOLQAZFN-SNVBAGLBSA-N 339.421 1.325 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 68020327 KRFJACRQICORHH-YNEHKIRRSA-N 349.406 1.598 0 40 EDAB CCOc1ccc(S(=O)(=O)NCC(=O)NC2CCCCC2)cc1 7608965 FKLPKDIWAQITFA-UHFFFAOYSA-N 340.445 1.813 0 40 EDAB O=C(CNc1cccc(C(F)(F)F)c1)OCC(=O)N1CCNC1=O 71914216 SDNPZWQJJIFUMY-UHFFFAOYSA-N 345.277 1.212 0 40 EDAB O=S(=O)(NCCc1ccn(-c2ccc(F)cc2)n1)c1cccnc1 96428630 NNVGPQPSXRCWGL-UHFFFAOYSA-N 346.387 1.927 0 40 EDAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)NC[C@H]1CCCO1 9502626 AJXAWHZTQVFSPN-WCBMZHEXSA-N 328.463 1.888 0 40 EDAB NC(=O)CN1CCCN(C(=O)c2cc3c(s2)CCCCC3)CC1 71829375 GHNWSCPCZPLYDJ-UHFFFAOYSA-N 335.473 1.650 0 40 EDAB CCO[C@@H](C(=O)N1CCC(N2CCNC2=O)CC1)c1ccccc1 71825499 ZHNZXDSLIQPGGS-MRXNPFEDSA-N 331.416 1.780 0 40 EDAB COc1ccc(CCN2CCN(C(=O)c3nccnc3N)CC2)cc1 71837389 CJMOVGZSKUZMIS-UHFFFAOYSA-N 341.415 1.068 0 40 EDAB Cc1nnc(CN(C)[C@H]2CCN(Cc3nc4ccccc4n3C)C2)o1 78891284 OZZZQUQRKMJXFO-AWEZNQCLSA-N 340.431 1.971 0 40 EDAB NC(=O)c1ccccc1COC(=O)[C@H]1Cc2ccccc2C(=O)O1 72273567 AZNQFLMNCUPFMJ-OAHLLOKOSA-N 325.320 1.610 0 40 EDAB Cn1nccc1CNC(=O)NCCCC(=O)N1CCc2ccccc21 72277817 AQHDHCMTANKQOT-UHFFFAOYSA-N 341.415 1.589 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@@H](c2noc(C)n2)C1 72231757 YNHOYTSMJISRNU-CYBMUJFWSA-N 346.387 1.818 0 40 EDAB CC[C@H]1CN(C(=O)NCCCCN2CCN(CC)CC2)C[C@@H](C)O1 72277826 YYPYAVPLUBXZPL-SJORKVTESA-N 340.512 1.613 0 40 EDAB Cn1nc2c(cc1=O)CN(CCCS(=O)(=O)c1ccccc1)CC2 72302294 SUXBVCHJSMACSV-UHFFFAOYSA-N 347.440 1.002 0 40 EDAB O=C(Cc1cccc(I)c1)NCc1ncc[nH]1 84372759 KSCMBIYFDQLVNP-UHFFFAOYSA-N 341.152 1.873 0 40 EDAB CC(C)Oc1ccc2nnc(CCC(=O)NCc3ccccn3)n2n1 72404226 TUDIWZKYLVMAHQ-UHFFFAOYSA-N 340.387 1.556 0 40 EDAB Cc1nc(N2CCN(C(=O)NCCCn3cccn3)CC2)sc1C 95436286 SVJMMRBFALVGFJ-UHFFFAOYSA-N 348.476 1.878 0 40 EDAB O=C(Nc1cccc2cccnc12)N(CCO)[C@H]1CCS(=O)(=O)C1 95443112 ANHFWZOVOLVHHM-ZDUSSCGKSA-N 349.412 1.248 0 40 EDAB C[C@H](NC(=O)NCCc1nnc2n1CCC2)[C@H]1COc2ccccc21 95438152 BOBAILFWPKILJS-GXTWGEPZSA-N 341.415 1.631 0 40 EDAB O=C(CCN1Cc2ccccc2C1=O)Nc1nc([C@H]2CCCO2)n[nH]1 95476501 MITPFGGXBCORRG-CYBMUJFWSA-N 341.371 1.641 0 40 EDAB CC[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCN1C[C@@H](C)O 84736474 HNDCOFDKMYNHPH-ZIAGYGMSSA-N 330.432 1.200 0 40 EDAB COCCOc1ccc(N(C)C(=O)N(C)C[C@H](O)CN(C)C)cc1 95964329 DZHOFVFKWPOIJS-OAHLLOKOSA-N 339.436 1.122 0 40 EDAB CN(C)CCN(C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 95987637 JUWLABPRQUQVAO-CABCVRRESA-N 327.375 1.998 0 40 EDAB CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 89368799 GKAHJVRJFRGUFE-PRHODGIISA-N 344.820 1.151 0 40 EDAB O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1COc2ccccc21 74913087 UUEQRZCWIDZFGW-HNNXBMFYSA-N 336.347 1.923 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)NCCc1cccc(C(=O)O)n1 543785863 DISXMZRNAQUPSF-UHFFFAOYSA-N 341.433 1.421 0 40 EDAB CCc1ccccc1O[C@@H](C)C(=O)NCCCN1CCN(C)CC1 22532630 QJBNEIFFFANNQM-INIZCTEOSA-N 333.476 1.770 0 40 EDAB CCNC(=O)NC[C@@H]1CC[C@]2(COCCN(Cc3cccnc3)C2)O1 306132645 LOHMUXXZTJGBMA-WMZOPIPTSA-N 348.447 1.151 0 40 EDAB CS(=O)(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Cl 30857477 XRLHILHIVGMOID-JTQLQIEISA-N 332.809 1.620 0 40 EDAB Cc1nccc(N2CCC[C@@H](c3ncncc3S(C)(=O)=O)C2)n1 72369050 PBJXJROLYAACNF-GFCCVEGCSA-N 333.417 1.363 0 40 EDAB CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NC1CCCCCCC1 75260529 JDPOINKHXJKBDX-CYBMUJFWSA-N 341.452 1.984 0 40 EDAB Cc1nsc(N2CCN(C(=O)[C@H]3COc4ccccc43)CC2)n1 74023032 NQKRRQMADHTWNQ-ZDUSSCGKSA-N 330.413 1.671 0 40 EDAB O[C@@H](CNC[C@H](O)COCc1ccccc1)COCc1ccccc1 36724575 RDMRJMNWVLCKJA-PMACEKPBSA-N 345.439 1.731 0 40 EDAB CC(C)NC(=O)C(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 43942789 SRAXECDFUQVIEE-AATRIKPKSA-N 347.415 1.172 0 40 EDAB Cc1cc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)[nH]n1 225791714 QMRZOWWDRVLDGH-UHFFFAOYSA-N 326.404 1.349 0 40 EDAB C[C@H]1CC[C@H](CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)O1 190307660 ODTNPXBUWYWMEA-DOTOQJQBSA-N 338.473 1.702 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)C)ccc1OC 226045020 FXHIOFHQBQSOPD-UHFFFAOYSA-N 328.434 1.769 0 40 EDAB CCS(=O)(=O)N(C)c1cccc(C(=O)NCc2cccnc2)c1 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40 EDAB O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2CC2CCOCC2)O1 96057566 MRYLRZLHOOWSGK-KZNAEPCWSA-N 348.443 1.944 0 40 EDAB NC(=O)C[C@@H]1CCCN(C(=O)NCCc2cc(F)ccc2F)C1 96447016 CHJYSPJMBZIWDA-NSHDSACASA-N 325.359 1.804 0 40 EDAB Cn1cc(C(=O)N2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)cn1 96206331 ZHKYQBCQZYGCBQ-YOEHRIQHSA-N 328.372 1.268 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)N1CC[C@H](Oc2cccnc2)C1 96474763 MQXBJODWGHCYPB-INIZCTEOSA-N 343.431 1.837 0 40 EDAB Cn1cc(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)cn1 96418248 AWCFLFWRINVVOE-UHFFFAOYSA-N 329.328 1.598 0 40 EDAB c1csc(CN2Cc3nccn3C[C@@H](CN3CCOCC3)C2)n1 96188492 QLUITPSNAOZKNE-AWEZNQCLSA-N 333.461 1.304 0 40 EDAB O=C(N1CCCC1)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96062494 HDJKCHXAFSAXMZ-GOSISDBHSA-N 330.432 1.826 0 40 EDAB C[C@@H]1COCCN1CCNc1cc(C(F)(F)F)nc2ncnn12 584009895 OJHWRJXQGZCAFW-SECBINFHSA-N 330.314 1.276 0 40 EDAB CC[C@H](CN1CCCCC1)NC(=O)CC1=NNC(=O)[C@H]2C=CC=C[C@@H]12 248253905 UAKPYRQPXYEEHT-OAGGEKHMSA-N 344.459 1.601 0 40 EDAB 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335.379 1.593 0 40 EDAB CCc1nc(NC(=O)NS(=O)(=O)c2cccs2)nc(O)c1C 13407913 OQQVSZBMACTIHK-UHFFFAOYSA-N 342.402 1.625 0 40 EDAB O=C(COC(=O)Cc1ccccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1 14201925 AOYAOKBWKJRZMG-UHFFFAOYSA-N 343.314 1.720 0 40 EDAB CCC(CC)C(=O)N1CC[C@H](c2nn(CCN)c3nccnc23)C1 19500070 WOFCOYARSFZIDQ-ZDUSSCGKSA-N 330.436 1.537 0 40 EDAB CN(C)C(=O)OCCN1CCN(Cc2ccc(Cl)cn2)CC1 161665056 HKYZAEXSANFYKZ-UHFFFAOYSA-N 326.828 1.551 0 40 EDAB Cc1c(C(=O)N2CCC[C@H]2c2ccncc2)nnn1C1CCNCC1 154617096 IZFFYACGHBZQJX-INIZCTEOSA-N 340.431 1.883 0 40 EDAB CC(C)n1c(NCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 4454253 MFEDYEGXYOKBFZ-UHFFFAOYSA-N 327.388 1.659 0 40 EDAB Cc1ccc(Cl)cc1NC(=O)C[C@@H](C(=O)O)N1CCN(C)CC1 22585000 GYZXATFTZXORFK-AWEZNQCLSA-N 339.823 1.678 0 40 EDAB Cn1cc([C@H]2C[S@](=O)CCN2C(=O)CC2(C(F)(F)F)CC2)cn1 589849903 PABGSMLVXHMKBD-QVQLBTGDSA-N 349.378 1.785 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)CC5CC5)C[C@@H]4C3)ncnc21 1888866807 UJDJYDLPOOJHPL-CHWSQXEVSA-N 326.404 1.058 0 40 EDAB CCOc1ccc(-n2ccn(C[C@H]3CCCOC3)c(=O)c2=O)cc1 1888873328 CGFBRQDLCDAFGM-CQSZACIVSA-N 330.384 1.825 0 40 EDAB COCCCNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29540993 ZOXUKBCJSGVMSP-ZIAGYGMSSA-N 340.420 1.121 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCn1c(=O)oc2ccccc21 30848149 STPQBTMNMGFHPT-GFCCVEGCSA-N 334.372 1.689 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CC[C@H]3Oc4ccccc4N[C@H]3[C@@H]2O)cn1 2037844723 ZWLYOBLKTGMUDJ-VDHUWJSZSA-N 339.395 1.885 0 40 EDAB CN1CCO[C@H]2CN(C(=O)c3ccc4c(ccn4C)c3)CC[C@@H]2C1 1565553322 UJWXZWAGOJGMFL-AEFFLSMTSA-N 327.428 1.971 0 40 EDAB CC(C)N(C)C[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)Cc2nccn2C1 1565542518 KWGDICJEPFTOKH-AIANPOQGSA-N 332.448 1.074 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 1565542090 LKBSMTJKXDJWSX-WMLDXEAASA-N 343.387 1.053 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(c2ncnc3ccccc23)CC1 2086865943 CBMRFIIFOMQMAN-AWEZNQCLSA-N 327.432 1.665 0 40 EDAB O=C(/C=C\c1ccccc1)NCCn1c(O)nc2ncccc2c1=O 575610033 QQEWFLAEYDNOHG-HJWRWDBZSA-N 336.351 1.327 0 40 EDAB O=C(CN1CCC(C(=O)N2CCSCC2)CC1)NC1CCCC1 2298106481 HJXRRCCQEBCYPJ-UHFFFAOYSA-N 339.505 1.333 0 40 EDAB OC1(CN2CCN(c3nccc(N4CCCC4)n3)CC2)CCCC1 2298180912 CAEOXBGGPRTCCI-UHFFFAOYSA-N 331.464 1.504 0 40 EDAB COC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1ccc(OC)cc1 100503340 XPPKAXAIJDBJNX-CQSZACIVSA-N 334.397 1.920 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C[C@H]1Cn2nc(C)nc2NC1=O 40386787 WPQNKDBXMXGAQS-VIFPVBQESA-N 349.778 1.846 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)NCCc2ccccc2F)c1 30987861 HUHURBVBOAJXID-UHFFFAOYSA-N 337.376 1.837 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(N2CCOCC2)cn1 30976125 TYHQTPZSIIKSLW-UHFFFAOYSA-N 343.431 1.840 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCOc3ccccc32)cc1 40474129 ADENRFGFXQAESY-HNNXBMFYSA-N 346.408 1.848 0 40 EDAB NC(=O)c1cnc(N2CCC(CN3CCOCC3)CC2)c(Cl)c1 68666973 SAPMLUKWVOIQLV-UHFFFAOYSA-N 338.839 1.383 0 40 EDAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 7949841 LTORRNXQGRHNTL-MRXNPFEDSA-N 346.408 1.879 0 40 EDAB O=C(O)[C@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@@H]12 2585354 OKWDWXQSIUNHER-XKSSXDPKSA-N 335.362 1.662 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)CN2CCN(C(C)=O)CC2)cc1 51152421 NETLEYMGRPSJEH-SFHVURJKSA-N 345.443 1.523 0 40 EDAB CC[C@H](C)N1CNc2c(c(=O)[nH]c(=O)n2Cc2ccc(OC)cc2)C1 20573736 AXWFGJYCLWDWNO-LBPRGKRZSA-N 344.415 1.577 0 40 EDAB CCn1nnnc1S[C@@H](C)C(=O)NCCc1ccc(OC)cc1 16461312 KJIWEJKYSUZCEO-NSHDSACASA-N 335.433 1.541 0 40 EDAB Cc1nnc(SCC(=O)N2CCO[C@H](C)C2)n1Cc1ccccc1 11385091 SAYFFMNNEBICIT-CYBMUJFWSA-N 346.456 1.974 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 45744077 UWRNYSIAEMOWSF-CYBMUJFWSA-N 341.481 1.728 0 40 EDAB c1ccc(COC[C@@H]2CN([C@H]3CCOC3)Cc3nccn3C2)nc1 107209066 NNPROJCPTNVQQQ-RDJZCZTQSA-N 328.416 1.716 0 40 EDAB O=C(Cn1nc(-c2ccco2)ccc1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101703914 YOBAGYOIGXEWRY-IHRRRGAJSA-N 325.368 1.832 0 40 EDAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)NCc1ccccc1 8282142 VRTLBVSNEIBPTE-INIZCTEOSA-N 327.336 1.686 0 40 EDAB COc1ccc(C(N)=O)c(OCc2nnnn2-c2ccccc2)c1 32837637 BQHMKQIPFVTYFB-UHFFFAOYSA-N 325.328 1.349 0 40 EDAB CCCOCC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 75127509 KEKBONASZPRJNO-CQSZACIVSA-N 325.453 1.005 0 40 EDAB NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 75144427 QAORWPVKNDSCQD-LLVKDONJSA-N 341.820 1.714 0 40 EDAB O=C(c1nnc2ccc(N3CCOCC3)cc2n1)N1CCCCC1 57280187 QHUIZYSLVBECNF-UHFFFAOYSA-N 327.388 1.488 0 40 EDAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H](C)N1CCOCC1 29959953 FQIYBUQDOWGXBO-LBPRGKRZSA-N 346.456 1.964 0 40 EDAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1ccc3c(c1)OCCCO3)CCO2 107720331 KATHMYRTJHLDAL-UNEWFSDZSA-N 333.384 1.866 0 40 EDAB Cc1cc(C(F)(F)F)nn1CCC(=O)Nc1cnn(C)c1C(=O)O 2728023 WTQVEFZDRRWCLD-UHFFFAOYSA-N 345.281 1.671 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)C1 106195178 DBZOECXGIQSING-MJBXVCDLSA-N 329.404 1.934 0 40 EDAB NC(=O)C1CCN(C(=O)COC(=O)CCCc2cccs2)CC1 22668139 RBDXNARXNMIIFS-UHFFFAOYSA-N 338.429 1.338 0 40 EDAB COc1ccc(S(=O)(=O)N2CCOC(=O)C2(C)C)cc1Cl 12193336 ASSDXKFOKRAFJR-UHFFFAOYSA-N 333.793 1.675 0 40 EDAB CC(C)CNC(=O)[C@@H]1CCCN(c2ncc(C(N)=O)cc2Cl)C1 54059142 DPJMBRWHQPNITC-LLVKDONJSA-N 338.839 1.823 0 40 EDAB COc1ccc([C@H](CC(=O)N[C@@H](C)Cn2ccnc2)NC(C)=O)cc1 42532465 NAXPCGYNNHWDTN-GUYCJALGSA-N 344.415 1.664 0 40 EDAB Cc1cccc(N2N=C(C(=O)N[C@H](C)Cn3ccnc3)CCC2=O)c1 42510007 TZQKSTYANNJQLM-CQSZACIVSA-N 339.399 1.879 0 40 EDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1CCO[C@@H](C)C1 24014657 YOZKJBISKKTYFG-HNNXBMFYSA-N 333.432 1.421 0 40 EDAB CNC(=O)C1(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC1 106023120 UVMUNYWZKAVWCD-CYBMUJFWSA-N 340.782 1.905 0 40 EDAB Cn1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)n1 25321830 NTMSGERYUXGIMP-UHFFFAOYSA-N 340.430 1.518 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)c1)[C@H]1Cc2ccccc2O1 25758838 WWAJSZJLZHPZKK-QGZVFWFLSA-N 339.395 1.538 0 40 EDAB CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)ccc21 12508145 QUDJRSLHTWCVEM-UHFFFAOYSA-N 346.364 1.705 0 40 EDAB COc1ccc(CCC(=O)NC(C)(C)C(N)=O)cc1Br 57051067 CCNSDEPBZFFABF-UHFFFAOYSA-N 343.221 1.770 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCNC(=O)c2ccoc2)n1 44654062 PCAMARXOIGKRBU-LBPRGKRZSA-N 332.404 1.665 0 40 EDAB CCCCc1noc(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)n1 69161075 IDCHXKBYIMRYCV-UHFFFAOYSA-N 348.384 1.965 0 40 EDAB CN(C)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 10274940 GOVVFEXOBUPRQO-UHFFFAOYSA-N 339.442 1.392 0 40 EDAB O=C(/C=C/c1ccccn1)NCC(=O)Nc1ccc(-n2cncn2)cc1 58244533 FHMVKISWISHNMQ-RMKNXTFCSA-N 348.366 1.430 0 40 EDAB CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccc2ncccc12 58281038 QGRKVKATUCWAJF-UHFFFAOYSA-N 335.429 1.770 0 40 EDAB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NC[C@@H]1CCCO1 58290912 QSKQXJMFKVCEJT-JTQLQIEISA-N 332.809 1.620 0 40 EDAB CCCNC(=O)CN1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 44907128 AQMDUUFONQLXTH-ZDUSSCGKSA-N 337.468 1.572 0 40 EDAB Cc1cc(=O)n2nc(NC3CCN(C(=O)C(C)C)CC3)sc2n1 44910503 HCAGTWDWEBOFDV-UHFFFAOYSA-N 335.433 1.518 0 40 EDAB CCCN(CC(F)(F)F)C(=O)CSCC(=O)N1CCOCC1 58367295 MSFDEFCVVLFQGH-UHFFFAOYSA-N 342.383 1.379 0 40 EDAB NC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)o1 3364710 BLFQRWMTYDYPBD-UHFFFAOYSA-N 342.764 1.589 0 40 EDAB COc1cc(C(=O)N[C@@H](CCSC)C(=O)O)cc(OC)c1OC 3369626 FKXYMQMLJGBMRQ-JTQLQIEISA-N 343.401 1.649 0 40 EDAB COC(=O)c1c(NC(=O)CN2CSCC2=O)sc(C)c1C 28302202 CBVBWUICIIRANF-UHFFFAOYSA-N 328.415 1.623 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CCN(c2ncccn2)CC1 28404411 RUUGOEFSHMIUFL-HNNXBMFYSA-N 339.399 1.312 0 40 EDAB O=C(NCCC(=O)N1CCCC1)c1ccc(Cn2cncn2)cc1 48299821 CWADSUZWFZJWFV-UHFFFAOYSA-N 327.388 1.069 0 40 EDAB CCN(CC)C(=O)CNC(=O)CCCn1c(=O)oc2ccccc21 48354481 AABJXDDJGFTDPS-UHFFFAOYSA-N 333.388 1.359 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@@H](n3cccn3)C2)CN1Cc1ccco1 69349257 GOAPTNCZHFUOEB-LSDHHAIUSA-N 342.399 1.688 0 40 EDAB COC(=O)c1sccc1NC(=O)N1CCN(c2cnccn2)CC1 24742594 KZXWPRSUPGKXEM-UHFFFAOYSA-N 347.400 1.679 0 40 EDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 48615078 KIVBOMIUJXSSMJ-YOEHRIQHSA-N 335.423 1.631 0 40 EDAB C[C@H](NC(=O)NCc1ccc(N(C)C)nc1)C(=O)N1CCCC[C@H]1C 69415876 KLTAAJCHWXASGE-KGLIPLIRSA-N 347.463 1.736 0 40 EDAB CNc1cncc(C2CCN(S(=O)(=O)c3cccnc3)CC2)n1 72368792 RGVHSFCDHRKBKM-UHFFFAOYSA-N 333.417 1.482 0 40 EDAB COC(=O)c1cccc(C(=O)Nc2ccc(OC)cc2C(=O)OC)n1 69458310 PGCUEDBXCNQDQD-UHFFFAOYSA-N 344.323 1.916 0 40 EDAB CN(C)c1ccc(CCNC(=O)NCC(C)(C)N2CCOCC2)cc1 69414991 COAGDJNQOLPJGS-UHFFFAOYSA-N 348.491 1.705 0 40 EDAB COc1cc(OC)c2c(C)c(CC(=O)N[C@H](C)C(=O)O)c(=O)oc2c1 6073262 FWERZUZDTLFKTF-SECBINFHSA-N 349.339 1.250 0 40 EDAB biogenic COC(=O)CN1CCN(c2ccc(NC(=O)c3ccoc3)cc2)CC1 69445170 DPMQHPRPGJDWIO-UHFFFAOYSA-N 343.383 1.827 0 40 EDAB COC(=O)c1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 6153755 SJTCIWDHDUFZKM-UHFFFAOYSA-N 337.335 1.972 0 40 EDAB Cc1nn2c(-c3ccc(S(N)(=O)=O)o3)nnc2c2ccccc12 5206537 BCSRSVZBQQNOOR-UHFFFAOYSA-N 329.341 1.493 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)NCc2ccc(C)n2C)c1 65440480 XBHDSGFDSDRNNL-INIZCTEOSA-N 347.415 1.884 0 40 EDAB CN(Cc1cccc(OC(F)F)c1)Cc1nc2c(cnn2C)c(=O)[nH]1 65415657 CRLZNYAVLVEAFW-UHFFFAOYSA-N 349.341 1.890 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NCCc1ccc2c(c1)OCCO2 65401466 QKQVQFNHOWKURH-ZDUSSCGKSA-N 330.388 1.585 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NCCc1ccn(-c2ccccc2)n1 69561062 HMLJELIZYFCNQP-UHFFFAOYSA-N 338.415 1.990 0 40 EDAB COc1ccccc1CC1CCN(CC(=O)N2CCNC2=O)CC1 65585195 BVXLFWXTDUVTNB-UHFFFAOYSA-N 331.416 1.502 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c(=O)[nH]1 14190694 CYGCCHLAGHFQSI-WBMJQRKESA-N 328.368 1.836 0 40 EDAB CC(C)(C)OC(=O)NC1(CNC(=O)Cn2cncn2)CCCCC1 65610010 CLPYHAXRCVIIBX-UHFFFAOYSA-N 337.424 1.622 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccc(OC)cc2)n[nH]1 6579882 LSGIGKCNMOUJBK-QMMMGPOBSA-N 335.389 1.417 0 40 EDAB Cc1nnc(SCC(=O)N2CCNC2=O)n1Cc1ccccc1 6531780 CQJGQTWDKYLQFO-UHFFFAOYSA-N 331.401 1.279 0 40 EDAB Cn1c(COc2ccc3c(c2)OCO3)nnc1SCCC(=O)O 4942547 QGVYQQHANJUTKP-UHFFFAOYSA-N 337.357 1.690 0 40 EDAB C[C@H](NC(=O)[C@@H](c1ccccc1)N1CCCC1)C(=O)N1CCOCC1 69844288 BSUFXVXTACSNMX-DOTOQJQBSA-N 345.443 1.187 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1 69808528 VFSDHMYDJYVKKO-UHFFFAOYSA-N 349.456 1.939 0 40 EDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(Cl)cn1 7007746 VQZUHQIATBNLIW-UHFFFAOYSA-N 336.779 1.928 0 40 EDAB CC(C)N(C)C(=O)CS(=O)(=O)c1cc2c(cc1Cl)OCCO2 67488602 FZLBGUOYFGIYIG-UHFFFAOYSA-N 347.820 1.752 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2cc(F)cc(F)c2)C1 67562138 HBGKVRZGZPMGTP-LLVKDONJSA-N 333.360 1.510 0 40 EDAB COC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 7212143 XXODGGQLPSNFLQ-UHFFFAOYSA-N 337.319 1.678 0 40 EDAB Cc1nc(-c2cccc(NC(=O)CN3CCNC(=O)C3)c2)cs1 18905288 RPTBHSHNMDQRLH-UHFFFAOYSA-N 330.413 1.489 0 40 EDAB CCN(C(=O)C(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8777105 NZCGVXZAOGWVGP-UHFFFAOYSA-N 330.388 1.176 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1 7651684 WFDUUVQMEYMIMC-UHFFFAOYSA-N 341.392 1.812 0 40 EDAB COc1ccccc1N1CC[C@@H](CNC(=O)CNCC(F)(F)F)C1 68424800 AKRXWBVLFCLAGJ-LBPRGKRZSA-N 345.365 1.790 0 40 EDAB CS(=O)(=O)Nc1nc(CC(=O)NCCc2ccccc2)cs1 8990636 DNMJPXXOTXALAN-UHFFFAOYSA-N 339.442 1.416 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)C[C@@H]2CCCO2)c1 71185392 GCWCNCNHLRIXDA-ZDUSSCGKSA-N 347.458 1.031 0 40 EDAB CS(=O)(=O)NCc1ccc(-c2nc([C@H]3CCCCCN3)no2)o1 96001525 NNPRYMLCVICPJN-LLVKDONJSA-N 340.405 1.584 0 40 EDAB CCN1C(=S)N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]21 9302655 IDRVLQBXVNWPRI-NEPJUHHUSA-N 330.862 1.932 0 40 EDAB CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cn(C)cn2)C12CCCC2 71921023 UBUSUTWIMQCOTN-OLZOCXBDSA-N 327.450 1.778 0 40 EDAB C[C@H](O)C1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 96420850 UNRGZESXSGNDIZ-MAUKXSAKSA-N 332.444 1.507 0 40 EDAB O=C(COC1CCCC1)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 96402708 PMTNKEIPEXISEU-KRWDZBQOSA-N 330.428 1.952 0 40 EDAB CNc1cc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc(Cl)n1 71893362 HGTQVHBKQDVAAV-GFCCVEGCSA-N 346.822 1.966 0 40 EDAB CC(C)c1noc(CN(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 71892903 UNJJQCAIEWMVCM-OLZOCXBDSA-N 343.449 1.361 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N1c3ccccc3CC[C@H]1C)CC2 71879340 CIBNNONSLLHSDZ-CJNGLKHVSA-N 339.443 1.859 0 40 EDAB COc1ccc(CC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1 71826756 NSMLZPULOMOJTE-HNNXBMFYSA-N 344.386 1.837 0 40 EDAB COCCN1CC[C@@H](CNc2ccc3nnc(C(F)(F)F)n3n2)C1 71841030 YWEZYJOIQHEALG-JTQLQIEISA-N 344.341 1.523 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)Cc2ccccc2Cl)CC1 71881986 SSTHSOIHTWEIPK-HNNXBMFYSA-N 340.851 1.424 0 40 EDAB O=C(NCCCN1CCN(c2ccccc2)CC1)NCC1(O)CCC1 89845626 RGRNWSCWLJXJPY-UHFFFAOYSA-N 346.475 1.413 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cccc(Cn3ccnc3)c2)CC1 89895950 WJOQZHJCTHTJIW-HNNXBMFYSA-N 328.416 1.070 0 40 EDAB O=C(NCCN1CCCS1(=O)=O)[C@H]1CCCC[C@@H]1C(F)(F)F 84137215 OMXLXOVRYKHDEP-QWRGUYRKSA-N 342.383 1.507 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3nc(-c4ccco4)no3)CCO2)n1 72253486 FYFRHNZOJRISCG-CYBMUJFWSA-N 344.375 1.439 0 40 EDAB O=C(NS(=O)(=O)c1cncc(Br)c1)c1cscn1 72270937 UGMHOTADWWUGFF-UHFFFAOYSA-N 348.203 1.419 0 40 EDAB Cc1occc1C(=O)NCC(=O)N(CC(C)C)C1CCN(C)CC1 97163135 GIMRVYAXBMZHOR-UHFFFAOYSA-N 335.448 1.897 0 40 EDAB Cc1cccc(CN(CCN(C)C)S(=O)(=O)[C@H]2CCO[C@@H]2C)c1 97166230 NLWOFPFCXFQOSS-WBVHZDCISA-N 340.489 1.866 0 40 EDAB COc1ccc2c(C)cc(N3C[C@H]4C(=O)NC[C@@]4(C(=O)O)C3)nc2c1 72410788 TWUJLBVDQGSZRJ-SCLBCKFNSA-N 341.367 1.189 0 40 EDAB CC[C@H](NC(=O)c1csnn1)[C@H]1CN(Cc2ccccc2)CCO1 89942931 RRPROMFRDPMORY-GOEBONIOSA-N 346.456 1.948 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](c1cc2ccccc2o1)C1CC1 95394966 IYGWIZDKYXMBRO-QGZVFWFLSA-N 339.351 1.550 0 40 EDAB CC1(c2ccccc2)CCN(C(=O)CN2CCCS2(=O)=O)CC1 95435347 RTZGIHFZTRMNIB-UHFFFAOYSA-N 336.457 1.602 0 40 EDAB Cc1noc(-c2cccnc2N2CCC(C(=O)NC3CC3)CC2)n1 95403091 MXVJWESRXSXYBN-UHFFFAOYSA-N 327.388 1.935 0 40 EDAB Cn1ccnc1CNC(=O)c1cccn1-c1ccc2c(c1)OCCO2 95401865 RJALLMGAQCFGBL-UHFFFAOYSA-N 338.367 1.912 0 40 EDAB CCCCC(=O)N1CCN(C(=O)CCCC)[C@H](C(=O)OCC)C1 84740869 FATQAEAOVOKUND-AWEZNQCLSA-N 326.437 1.969 0 40 EDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)C1=O 76058908 RMUVSJXGJHRBNO-BZNIZROVSA-N 333.392 1.099 0 40 EDAB CCn1c(C)cc(C(=O)N2CCOC[C@](O)(CN3CCCC3)C2)c1C 77378769 UODJBHZPXVLWOO-IBGZPJMESA-N 349.475 1.424 0 40 EDAB O=C(CCNS(=O)(=O)c1cccnc1)N1CCc2ccccc2C1 73505026 FYRVSSBYLNGQSR-UHFFFAOYSA-N 345.424 1.335 0 40 EDAB COCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 77912422 RXXQUEHBJTTZGI-GFCCVEGCSA-N 342.342 1.655 0 40 EDAB CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)cc1 78398348 IUANRHXYQJQLRC-JSGCOSHPSA-N 326.418 1.125 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 95964390 PJIFBTBJURJUPW-GXSJLCMTSA-N 336.335 1.227 0 40 EDAB CC(=O)NCC1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1 95950174 AFJPEVVBFLQXOY-UHFFFAOYSA-N 341.411 1.527 0 40 EDAB C[C@H](NC(=O)N1CCO[C@@H](CO)C1)c1ccc(Br)cc1 78830550 ZYAZBUIINLGXHN-GXFFZTMASA-N 343.221 1.913 0 40 EDAB O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccnc(-n2cncn2)c1 78963758 ZPFQEJUOXMTHNS-UHFFFAOYSA-N 337.318 1.608 0 40 EDAB Cc1cc(C)n(-c2ccccc2NC(=O)[C@@H]2CCS(=O)(=O)C2)n1 89595855 STINBMLXHLZZSK-CYBMUJFWSA-N 333.413 1.862 0 40 EDAB Cn1nc(C(=O)N[C@](C)(CO)Cn2cnc3ccccc32)cc1Cl 1558784112 PLBDXLBLJNRYIT-INIZCTEOSA-N 347.806 1.604 0 40 EDAB COCCn1c(=O)n(CC(=O)N2CCCCCC2)c2cccnc21 72346859 NUSGIWVSMDAVGF-UHFFFAOYSA-N 332.404 1.247 0 40 EDAB Cc1cc(Cl)ccc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O 32689020 ZISSRVWSHOFDJD-UHFFFAOYSA-N 335.747 1.540 0 40 EDAB O=C([C@@H]1CCCc2nc[nH]c21)N1CCCN(c2cccnn2)CC1 548419695 IQIDHVDESRHGDE-CYBMUJFWSA-N 326.404 1.359 0 40 EDAB Cc1cc(Nc2nncs2)nc([C@H]2CCCN(C(=O)CN)C2)n1 72360888 NEHQJTZZBVHVTA-JTQLQIEISA-N 333.421 1.045 0 40 EDAB COCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3cnccn3)n2)C1 72360030 JULNTGNDQAFYCZ-ZDUSSCGKSA-N 342.403 1.671 0 40 EDAB Cc1cc(=O)cc([C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)[nH]1 72367562 BVEXZBVTQMRXMG-CQSZACIVSA-N 337.401 1.814 0 40 EDAB COc1ccc(Cn2cc(C(=O)NCCN3CCCC3)nn2)cc1 72341632 JTVHVPIHVSMUEJ-UHFFFAOYSA-N 329.404 1.161 0 40 EDAB CCOc1cccc2c1OC[C@@H](C(=O)N1CCCS1(=O)=O)C2 78611921 RNAMIYRMLVSALR-LBPRGKRZSA-N 325.386 1.199 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1cnn(C)c1 182979885 CXLNYUAJKXBAIH-HZPDHXFCSA-N 345.451 1.683 0 40 EDAB O=S(=O)(c1cncc(Cl)c1N1CCNCC1)N1CCCCC1 72210761 GDZLHZGJJLGKLW-UHFFFAOYSA-N 344.868 1.319 0 40 EDAB Cc1cc(C)c(N(C[C@H](O)CN2CCCC2)S(C)(=O)=O)c(C)c1 31903760 MCTWEIMWPPQLHW-MRXNPFEDSA-N 340.489 1.835 0 40 EDAB Cc1cc(-c2cnc(N3CCNC(=O)C3)nc2-c2ccncc2)on1 72342344 UYFDHZLLFDKLER-UHFFFAOYSA-N 336.355 1.438 0 40 EDAB C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(Cc2cccs2)CC1 135499729 UBYXKJZFWLWICD-GXTWGEPZSA-N 330.475 1.373 0 40 EDAB CC(=O)N1CCC(N2CC[C@@H](CO)N(C)c3ncccc3C2)CC1 225493126 AXTGZDPNDSZLGJ-KRWDZBQOSA-N 332.448 1.095 0 40 EDAB biogenic,in-vitro COc1cccc(CNC(=O)c2cc(NC(=O)C3CC3)n(C)n2)c1 46089121 CXRQMSSCVGMGTP-UHFFFAOYSA-N 328.372 1.707 0 40 EDAB O=S(=O)(CCc1ccccc1)NCC1(O)Cc2ccccc2C1 225716067 NXWCMMLKOBDLNX-UHFFFAOYSA-N 331.437 1.678 0 40 EDAB C[C@H]1CN(C(=O)c2cc(NC(=O)c3cccs3)n(C)n2)C[C@@H](C)O1 40745961 ZHTOWRLFKXHDAP-PHIMTYICSA-N 348.428 1.983 0 40 EDAB CNC(=O)c1cccc(N2CCC[C@H](c3nnc4ccccn34)C2)n1 96426884 ZTYVKHWLIJGJEI-ZDUSSCGKSA-N 336.399 1.868 0 40 EDAB Cc1ccc(=O)n(CC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)n1 96431970 XCXGKDILSNBNRK-GFCCVEGCSA-N 335.791 1.789 0 40 EDAB COCCO[C@@H]1CCN(C(=O)N2CCOCC2)[C@H]1Cc1ccccc1 96261314 DEDGXLSKHJWDRF-ZWKOTPCHSA-N 348.443 1.787 0 40 EDAB O=c1cccnn1C[C@@H]1CN(Cc2nccs2)Cc2nccn2C1 96188729 PQUGNCFGFITOAS-CYBMUJFWSA-N 342.428 1.229 0 40 EDAB Cc1ccc(CN2C[C@H]3OCCN(C(=O)c4cnn(C)c4)C[C@H]3C2)o1 96208584 FLFPOMJGPMKTAT-NVXWUHKLSA-N 344.415 1.295 0 40 EDAB O=C(N1CCCC1)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 96048732 IKPCYARCJZECKQ-KRWDZBQOSA-N 329.404 1.511 0 40 EDAB Fc1cnc(N2CCC[C@]3(C[C@H](Oc4ncccn4)CO3)C2)nc1 96222554 LUTZCIJPDNDECI-BBRMVZONSA-N 331.351 1.613 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(C[C@@H]2OCCc3ccccc32)CC1 96406591 RXMCZKYPIRRCRL-LPHOPBHVSA-N 345.487 1.831 0 40 EDAB c1cc(N2CC[C@@]3(COCc4cnc(NCC5CC5)nc43)C2)ncn1 96244105 JWXOKNFVHDJQRE-SFHVURJKSA-N 338.415 1.767 0 40 EDAB c1cncc(COCc2nnc3n2CCN(Cc2ccoc2)C3)c1 96259059 VFGCARCQOQOAFF-UHFFFAOYSA-N 325.372 1.999 0 40 EDAB CCn1nnnc1-c1cccc(NC(=O)N(C)Cc2cnn(C)c2)c1 96418700 DSQVEPCZPIXWFI-UHFFFAOYSA-N 340.391 1.757 0 40 EDAB O=C(N1CCOCC1)N1CCc2ncnc(NC3CCC3)c2CC1 96255792 YRSAWDUCCUYNPH-UHFFFAOYSA-N 331.420 1.294 0 40 EDAB CN(C)[C@H](CNC(=O)N[C@@H]1CCN(C2CCCC2)C1)c1cnn(C)c1 96410713 GCNRJQDFUBFIKW-NVXWUHKLSA-N 348.495 1.339 0 40 EDAB CCOC(=O)[C@]12CCCN(Cc3ccccn3)C[C@H]1CN(C(C)=O)C2 96056008 XHEMEPSLRWVQGX-LPHOPBHVSA-N 345.443 1.705 0 40 EDAB Cn1cc(CN2CCC3(CCOC[C@H]3NC(=O)C3CC3)CC2)cn1 96219426 FVLAHMBLTYWAMX-MRXNPFEDSA-N 332.448 1.317 0 40 EDAB O=C(O)[C@H]1CCCN(c2nccn(Cc3ccccc3F)c2=O)C1 96530546 SHBKQRORBVBZAN-ZDUSSCGKSA-N 331.347 1.732 0 40 EDAB CS(=O)(=O)N1CCOCC2(CCN(Cc3ccco3)CC2)C1 96240044 LYTKGUULAWIUTB-UHFFFAOYSA-N 328.434 1.154 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(Cc2cccnc2)C1 96244402 OOKHIGWMXZLXRK-LJQANCHMSA-N 339.443 1.920 0 40 EDAB CS(=O)(=O)CCn1ccc(Nc2nccc(C(F)(F)F)n2)n1 96421042 YYCGPTUDJSBTST-UHFFFAOYSA-N 335.311 1.480 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N2CCC3(CC2)C[C@H]3C(=O)O)c1C 580416612 YICXFASQRUHPAV-LBPRGKRZSA-N 341.433 1.395 0 40 EDAB Cc1nc(Cl)cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)n1 96182645 NAOZYCRJYZKKSE-UHFFFAOYSA-N 334.763 1.630 0 40 EDAB Cc1cccc(Cn2c3c(ccc2=O)C[C@H](N[C@@H]2CCOC2)CC3)n1 96196621 RFOROBVGOFLRRO-SJLPKXTDSA-N 339.439 1.836 0 40 EDAB CCOc1ccc([C@H](N)c2n[nH]c(Cn3cccn3)n2)cc1OC 95534266 PQSNFOLSVDADNZ-HNNXBMFYSA-N 328.376 1.505 0 40 EDAB COc1cc(N2CC3(C[C@@H](Oc4ncccn4)CCO3)C2)ncn1 247901093 QSMVBPGEPDUIMF-LBPRGKRZSA-N 329.360 1.092 0 40 EDAB O=C([C@H]1CCCO1)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 247832273 LLCMZMWIWGXGEU-CRAIPNDOSA-N 346.431 1.101 0 40 EDAB Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Cc1ccc2c(c1)OCCO2 583620027 KOYHUNLWZGMREO-GUYCJALGSA-N 343.383 1.380 0 40 EDAB CC(=O)N1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)CC[C@@H]1C(F)(F)F 583620015 JHTOQKBEGIZSNF-NWDGAFQWSA-N 345.321 1.057 0 40 EDAB CC[C@H]1[C@@H](C)CCN1S(=O)(=O)c1cnn(C)c1Br 583651384 KUQUDRKTUPJWSO-IUCAKERBSA-N 336.255 1.992 0 40 EDAB NC1CCN(Cc2nnn3c2CO[C@H](c2cccc(F)c2)C3)CC1 583648236 JKNUGHWIBRYOOK-KRWDZBQOSA-N 331.395 1.612 0 40 EDAB CN1CCN(C)[C@@H](CNC(=O)N[C@H]2CCCOc3ccccc32)C1 252477731 UVCDNRDOBUBWRT-HOCLYGCPSA-N 332.448 1.445 0 40 EDAB Cc1ccnc([C@H]2CCN(C(=O)CN(C)Cc3cccnc3)C2)n1 257317084 VIIPKJPYPCBODQ-INIZCTEOSA-N 325.416 1.628 0 40 EDAB CNc1ncccc1CN1CCC[C@@]1(C)c1nc(C)cc(C(N)=O)n1 257213459 CHRAQINWITXBDA-SFHVURJKSA-N 340.431 1.832 0 40 EDAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)Cn2cc(Cl)cn2)n1 257213267 CGVIDDBAQCHFNS-AWEZNQCLSA-N 348.838 1.752 0 40 EDAB CC1(C)COC(=O)N1c1cccc([C@@H]2CCCN2S(C)(=O)=O)n1 257323175 WJATVHGKBNDXCD-LBPRGKRZSA-N 339.417 1.913 0 40 EDAB O=C(c1cccnc1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257315154 VADSQBWWVNVYCR-FQEVSTJZSA-N 337.423 1.717 0 40 EDAB O=C([C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCO1)N1CCCC1 584908242 YNXARBABJFDHSJ-IAGOWNOFSA-N 328.412 1.741 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(CC3CCOCC3)CCN2C)c1 257299969 RSIWFUORFBSUNF-SFHVURJKSA-N 331.460 1.761 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1ccc(Cn2ccnc2)o1 252486034 CORKGDMFDRXZAR-YXAMBPQSSA-N 343.383 1.842 0 40 EDAB CC1CCC(N(C)C(=O)CN2CCC[C@H](c3nnc(N)o3)C2)CC1 585116390 SWCGNBNGMSPFFL-MOKVOYLWSA-N 335.452 1.868 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N=S(C)(C)=O)cc1 585142192 RDFVQCNBQKOKCK-UHFFFAOYSA-N 346.474 1.517 0 40 EDAB C[C@@H](CNC(=O)N[C@H]1CCCc2nn(C)cc21)CC1(C)OCCO1 252496364 PHPZKNVMCOLHLB-OCCSQVGLSA-N 336.436 1.886 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)CN2C[C@@H](C)Oc3ccc(C)cc32)C1 267078030 IRUPXRKAJUJUSD-GDBMZVCRSA-N 345.443 1.709 0 40 EDAB O=C(N[C@H](C(=O)O)[C@@H]1CCCOC1)c1csc([C@@H]2CCCO2)n1 262853115 UKAWDOGPCSIRGH-USWWRNFRSA-N 340.401 1.604 0 40 EDAB Cc1oc(CNS(=O)(=O)c2ccc3c(c2)OCO3)cc1C(=O)O 542857615 BFFSOSYGKAFFEG-UHFFFAOYSA-N 339.325 1.493 0 40 EDAB CCCc1nnsc1C(=O)N1CCC(Oc2cnccn2)CC1 85557295 HHPFSBGTQMXXOY-UHFFFAOYSA-N 333.417 1.964 0 40 EDAB C[C@H](CN1CCN(CC(N)=O)CC1)c1ccc(C(F)(F)F)cc1 282666159 MJXREJGCFZIURO-GFCCVEGCSA-N 329.366 1.912 0 40 EDAB O=C(NCCc1ccoc1)C(=O)Nc1cccc(N2CCCC2=O)c1 90607445 MHOBNQKOIIIGNT-UHFFFAOYSA-N 341.367 1.704 0 40 EDAB CC(C)CCC(=O)N1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1 575405529 IVBNEVGSCRLCCA-MRXNPFEDSA-N 335.448 1.740 0 40 EDAB CCOc1ccc(CCC(=O)N(C)[C@@H]2COC[C@@H](OC)[C@H]2O)cc1 585287205 UKLBXCKOQHKWRP-NUJGCVRESA-N 337.416 1.251 0 40 EDAB O=C(C[C@]1(COc2ccc(F)cc2)CNCCO1)N1CCCCC1 585274031 YVLKNEDCTPZFJC-GOSISDBHSA-N 336.407 1.966 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)Cc1nc2ccc(C)cc2[nH]1 585287922 HZAKQHZXDCQGBC-RKVPGOIHSA-N 347.415 1.301 0 40 EDAB C[C@@H](c1cccc(F)c1)N1CCN(C(=O)C2(NC(N)=O)CC2)CC1 678795303 VECRXRTTWDAEHW-LBPRGKRZSA-N 334.395 1.232 0 40 EDAB O=S(=O)(NCC1(OCCO)CCSCC1)c1cccs1 828765328 GUDUGGMRWUXKPO-UHFFFAOYSA-N 337.488 1.301 0 40 EDAB Cc1ccccc1OCCNC(=O)NC[C@H]1CCS(=O)(=O)C1 57208612 NTBSQIIDFJJSRV-CYBMUJFWSA-N 326.418 1.108 0 40 EDAB COc1c(C)[nH]cc(CN(C)c2ccc(S(C)(=O)=O)cn2)c1=O 1548453987 QOIHZXUBHHDTHA-UHFFFAOYSA-N 337.401 1.127 0 40 EDAB O=C1[C@@H](NCc2nnc3n2CCCC3)CCCN1c1ccccc1 72299703 QYFZGOWMKHCWKJ-HNNXBMFYSA-N 325.416 1.900 0 40 EDAB O=C(NCCOc1ccccc1)N1CCCN([C@@H]2CCOC2)CC1 1565522252 FDLXUYUAUYZODA-MRXNPFEDSA-N 333.432 1.572 0 40 EDAB Cn1nc2c(cc1=O)CN(CCCn1c(=O)oc3ccccc31)CC2 76064779 DIXMTOKZUKPKKV-UHFFFAOYSA-N 340.383 1.137 0 40 EDAB CN1N=C(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CCC1=O 96476858 APUMBLZHIWDHTP-GFCCVEGCSA-N 327.306 1.884 0 40 EDAB CCn1nc(C)c(S(=O)(=O)Nc2nc(C(C)C)nn2C)c1C 96433485 VEOHSURAVXTKIB-UHFFFAOYSA-N 326.426 1.573 0 40 EDAB Cc1ccc(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 100099650 MLJDZFRDNNMIQI-IYBDPMFKSA-N 326.396 1.953 0 40 EDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)C1Cc3ccccc3C1)C2 570934847 VBFRPTYDTYQIPK-KRWDZBQOSA-N 339.439 1.572 0 40 EDAB C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C(=O)N1Cc2ccccc2C1 585081158 GIWKWIQNKYWMTA-AFAVFJNCSA-N 338.411 1.571 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@@H]1Cn1nccn1 675007594 SGQFUKLIJHFZJS-CYBMUJFWSA-N 334.401 1.066 0 40 EDAB Cc1nccc(N2CCN(c3nccc(N4CCCC4)n3)CC2)n1 758943155 BPGLRHPTCBJWAS-UHFFFAOYSA-N 325.420 1.502 0 40 EDAB CN1C(=O)COC12CCN(C(=O)Cc1ccc3cccnc3c1)CC2 1615593109 YEHDIPLPFHKAOF-UHFFFAOYSA-N 339.395 1.585 0 40 EDAB C[C@H](NC(=O)N(C)Cc1cn(C)nn1)c1cc(F)ccc1N(C)C 1615545801 JDRPFYUVKCNHCG-NSHDSACASA-N 334.399 1.923 0 40 EDAB CCOc1cc(C(=O)NCc2nocc2C)ccc1OCC(=O)O 1615587510 FXNJZQUYWLNSBJ-UHFFFAOYSA-N 334.328 1.775 0 40 EDAB CCCCCCC1=C(C)C(=O)N([C@H](CCC(=O)O)C(=O)O)C1=O 1772591506 CJUNIVCUXIEJAF-GFCCVEGCSA-N 325.361 1.960 0 40 EDAB CN1C(=O)N(C)C2=NC(=O)N(C)[C@]2(C(Cl)(Cl)Cl)C1=O 5760152 PQTWWUMIUJZAMF-QMMMGPOBSA-N 327.555 1.083 0 40 EDAB CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2cnn(C)c2)cn1 12234441 UYMKGNMKRKMLIB-OAHLLOKOSA-N 337.449 1.943 0 40 EDAB O=C(C[C@@H]1CCCCO1)N1CCN(c2ncc3c(n2)CCOC3)CC1 19292451 JSGGOHJOAPURMN-HNNXBMFYSA-N 346.431 1.157 0 40 EDAB C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCOCC1 19456437 DTLSBQQPTNBJRF-KBPBESRZSA-N 349.406 1.016 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CC[C@@]3(C)[C@@H]2CCCCCN3C)n1 19713346 RMGIFFSDMVHAJN-YJBOKZPZSA-N 332.448 1.417 0 40 EDAB N[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 207095049 YNGWGMGGEBSKKT-OAHLLOKOSA-N 327.384 1.134 0 40 EDAB Cc1cccc(O[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)n1 238916170 SNWWUSJRPUSILC-CYBMUJFWSA-N 328.372 1.663 0 40 EDAB O=C(NCC1CCN([C@H]2CCOC2)CC1)[C@H]1COc2ccccc2O1 575605199 BFOIOMVLJVGKIB-MAUKXSAKSA-N 346.427 1.444 0 40 EDAB Cn1cnc2ncnc(N3CC[C@@](F)(C(=O)Nc4cccnc4)C3)c21 1888890956 SEUBTEUAFIPUQB-INIZCTEOSA-N 341.350 1.315 0 40 EDAB CNC(=O)[C@H]1CN(Cc2ccc3[nH]ccc3c2)CCN(C(C)=O)C1 1848352041 JUJVKBSQQRCVJN-INIZCTEOSA-N 328.416 1.194 0 40 EDAB NC(=O)NCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 20889741 MCWSVDYYFWFJLG-UHFFFAOYSA-N 338.411 1.817 0 40 EDAB COc1cc(Br)cc(C=C2NC(=S)NC2=O)c1O 1857776154 PYLYAEDUIKQBOT-UHFFFAOYSA-N 329.175 1.509 0 40 EDAB COc1cc(N2CCN(C(=O)c3cncc(F)c3)CC2=O)ccn1 1776008034 UIYHDEBTRIMCOM-UHFFFAOYSA-N 330.319 1.113 0 40 EDAB COC(=O)[C@@H]1CC12CCN(C(=O)NCc1ccc3c(c1)OCO3)CC2 264989593 GGASXAPFMVSCEI-ZDUSSCGKSA-N 346.383 1.900 0 40 EDAB COC[C@H]1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CN1C(C)C 1565541938 WLMWQZNEVXSXQQ-CQSZACIVSA-N 335.452 1.167 0 40 EDAB O=C([C@H]1CCCO1)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 4165453 OAUHQRZRZOYKQL-UONOGXRCSA-N 325.361 1.648 0 40 EDAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@H]3CCCO3)cc21 5252436 VUIDWMNVJZTEGE-OAHLLOKOSA-N 345.399 1.219 0 40 EDAB CC(=O)OC(C)(C)C(=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575609585 NGRDMLBMQSMYSA-LBPRGKRZSA-N 341.795 1.842 0 40 EDAB O=C(Cc1ccccc1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618255724 IREOOIXFWWHHSF-UHFFFAOYSA-N 341.411 1.647 0 40 EDAB O=C(C1CCN(c2ncnc3ncccc23)CC1)N1CCSCC1 2298047642 HRYLARFZNOPREB-UHFFFAOYSA-N 343.456 1.817 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(O)cc1 40266295 YFWPMMCWXXFCPB-UHFFFAOYSA-N 339.373 1.256 0 40 EDAB CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1cnn(C)c1C 36615280 ZTNPSZRJVKSXSS-UHFFFAOYSA-N 339.465 1.773 0 40 EDAB CN(C)c1ncccc1CNS(=O)(=O)c1cc(F)ccc1F 40524993 QZWNNULVFPSSCO-UHFFFAOYSA-N 327.356 1.904 0 40 EDAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 40553246 XLXLWNTWSXBNFS-NSHDSACASA-N 349.412 1.619 0 40 EDAB NC(=O)C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc3c2=O)CC1 31815871 NOMBGCMTUAFNEP-UHFFFAOYSA-N 333.775 1.519 0 40 EDAB CCCOc1ccc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 29189447 XNLIPCQQQWVWQL-CQSZACIVSA-N 340.445 1.629 0 40 EDAB O=S(=O)(CCc1ccccn1)NCc1cnn(-c2ccccc2)c1 45816567 QWOHNEOMIZJBCS-UHFFFAOYSA-N 342.424 1.929 0 40 EDAB CCn1c(=O)c2c(nc3n2C(C)=C(C)[C@H]3CCCOC)n(C)c1=O 4314320 SXQLCSPBOXSNMR-GFCCVEGCSA-N 332.404 1.691 0 40 EDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)NC2CCC(C)CC2)cc1 20893927 LPZCIYSVPBFLMI-UHFFFAOYSA-N 346.427 1.963 0 40 EDAB Cc1ccccc1OC[C@H](O)CN1CCC(CN2CCOCC2)CC1 51958337 BQHJJKTYPJOMRZ-LJQANCHMSA-N 348.487 1.779 0 40 EDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 7216506 UEWGMBDYUPNDMV-CYBMUJFWSA-N 331.459 1.501 0 40 EDAB O=c1cc(CSc2nnnn2Cc2ccco2)nc2sccn12 11676396 MQDCHXYXUYLUOL-UHFFFAOYSA-N 346.397 1.676 0 40 EDAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 55105522 NTSTZIJAZXZNLP-UHFFFAOYSA-N 333.369 1.409 0 40 EDAB COC(=O)Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)cc1 29785040 FTIFHWICVPGVSS-AWEZNQCLSA-N 332.400 1.845 0 40 EDAB C[C@H]1CCCCN1C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 21555984 ZPXJKEGRIHOTDP-LBPRGKRZSA-N 335.429 1.468 0 40 EDAB O=C(NC1(c2nc(-c3cnccn3)no2)CCCCC1)c1cc[nH]n1 75164196 ZOSPRWAKPAFNGS-UHFFFAOYSA-N 339.359 1.839 0 40 EDAB COC(=O)N1CCC(N2C(=O)[C@@H](CCSC)NC2=S)CC1 58225152 BSLITHTWDQRSKS-SNVBAGLBSA-N 331.463 1.056 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(Nc2ncccn2)c1 33213540 AGDHEODSCYPRFN-OAHLLOKOSA-N 339.399 1.961 0 40 EDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CO[C@H](O)C(Cl)(Cl)Cl 104346474 LFUCJRTVZWFGKO-BYULHYEWSA-N 328.579 1.600 0 40 EDAB CCN1CCN(C(=O)[C@H](C)Sc2nncn2-c2ccccc2)CC1 22113389 AVLWAVNNFVXRRD-AWEZNQCLSA-N 345.472 1.912 0 40 EDAB CCCNC(=O)[C@H](C)OC(=O)c1ccc(CS(C)(=O)=O)cc1 7864027 DPCLMJTWRIFVTA-NSHDSACASA-N 327.402 1.303 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)CN3CCOCC3)o2)n1 22266663 AOVAJWBRRDLSDO-CQSZACIVSA-N 346.431 1.592 0 40 EDAB C[S@@](=O)c1ccc(C(=O)N2CCC(NC(=O)C3CC3)CC2)cc1 42080125 BKCBYKFOXJVAOH-QHCPKHFHSA-N 334.441 1.555 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1Cc1noc(-c2ccco2)n1 42128357 HOCJCHZVYQMULN-UHFFFAOYSA-N 331.309 1.674 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 24051040 COLZIARPAHUYQG-VXGBXAGGSA-N 331.459 1.757 0 40 EDAB c1cnc(OC[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2nccs2)nc1 107747255 ZDJMKGOAQFNDOR-YDHLFZDLSA-N 332.429 1.992 0 40 EDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 105577235 AUBLNFKMKCODDE-JYJNAYRXSA-N 336.457 1.658 0 40 EDAB COc1ccc(-c2nc(C(=O)NCCCC(N)=O)cs2)cc1OC 42926142 OHQMABIYIYDFFN-UHFFFAOYSA-N 349.412 1.823 0 40 EDAB NC(=O)CN(C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C1CCCC1 47236495 NXIORUKXFCQEMZ-GFCCVEGCSA-N 347.390 1.435 0 40 EDAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCc1cccs1 24580542 LENJBXSXOGFEQP-UHFFFAOYSA-N 342.417 1.872 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)c3ccccc32)C1 24602516 OQPUHQZTHCPMSP-UKRRQHHQSA-N 344.411 1.938 0 40 EDAB COCCNC(=O)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 61720590 DBIUJNLJHYJPFH-UHFFFAOYSA-N 336.775 1.984 0 40 EDAB Cc1cccc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)n1 108526228 YBSGILKUQFWUTE-UHFFFAOYSA-N 337.445 1.324 0 40 EDAB C[C@@H]1CN([C@H](CNc2ccc3nnnn3n2)c2cccs2)CCO1 106906148 GTDJZTDDXSDIPH-VXGBXAGGSA-N 345.432 1.455 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3ccccc3OC)CC2)n1 25573918 YUIMKLQZNGROIQ-UHFFFAOYSA-N 328.372 1.456 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccc(S(C)(=O)=O)cc1 44335610 ASBWUNHLMHDPNL-WCQYABFASA-N 338.429 1.136 0 40 EDAB CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccoc2)CC1 57735160 GJINFOCWMKXZDV-UHFFFAOYSA-N 349.412 1.150 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2C1=O 58014132 QPNQAMQWYWDDCL-VXGBXAGGSA-N 345.399 1.092 0 40 EDAB C[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1)c1ccccc1 3250432 JTZNSJQQMKOAMG-AWEZNQCLSA-N 340.379 1.837 0 40 EDAB Cn1nc(C(C)(C)C)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 44869397 XRDLLQLYBVGCSA-UHFFFAOYSA-N 347.419 1.521 0 40 EDAB COC(=O)c1ccc2c(c1)CCN2C(=O)Cn1nnc2ccccc21 44896461 KIGRHVSJKHXHAO-UHFFFAOYSA-N 336.351 1.807 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)Cc2ccsc2)CC1 58216654 KQQMGJUUZHIPDH-LBPRGKRZSA-N 344.502 1.857 0 40 EDAB Cc1nc(CCNC(=O)N2CCN(c3cnccn3)CC2)cs1 44967699 LACUNIRFZPJUQR-UHFFFAOYSA-N 332.433 1.316 0 40 EDAB O=C(NCc1ccccn1)NC[C@]1(N2CCOCC2)CCSC1 44946352 CESAENYTMJKOEJ-MRXNPFEDSA-N 336.461 1.089 0 40 EDAB COCCCNC(=O)CN(C)C(=O)c1ccn(-c2ccccc2)n1 58367511 IZKHVOZREAXSBV-UHFFFAOYSA-N 330.388 1.097 0 40 EDAB C[C@H](C(N)=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 58341656 FKVATQRDHQFZNT-SNVBAGLBSA-N 340.221 1.081 0 40 EDAB CC(C)(CNC(=O)CCN1C(=O)CCC1=O)c1ccc2c(c1)OCO2 58757740 XBRACGHJRRQESI-UHFFFAOYSA-N 346.383 1.348 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3[C@@H](CC2)CCN3c2ncccn2)no1 306135084 OHJYMUNXRKNMHO-ZFWWWQNUSA-N 327.388 1.904 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(O)cc2)no1 12852606 VCQWTVKFVBQASL-SECBINFHSA-N 346.372 1.784 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 48442790 YKJGUVFAVGKIHT-UHFFFAOYSA-N 337.228 1.711 0 40 EDAB COc1cccc(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)c1 12976169 HPDQIJXTAGUHIE-UHFFFAOYSA-N 339.351 1.999 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CSc1nncn1-c1ccccc1 3545821 UFURXKNTNPKRGQ-UHFFFAOYSA-N 333.417 1.984 0 40 EDAB O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccncc1 13734995 GIXSJMOWZNRUGD-UHFFFAOYSA-N 346.350 1.434 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCc2c(ncn2C2CC2)C1 69420681 TVMSCNSZHJHFFY-CYBMUJFWSA-N 342.447 1.954 0 40 EDAB CN(C)[C@H](Cc1ccccc1)C(=O)NCCN1CCCCCC1=O 69416410 DXCRBVIUANYFCT-QGZVFWFLSA-N 331.460 1.678 0 40 EDAB C[C@H](NCc1cnc(N2CCOCC2)nc1)c1ccc2c(c1)OCO2 65488666 LGMQUPDZVZKRPF-ZDUSSCGKSA-N 342.399 1.893 0 40 EDAB CCN1CCN(c2ccc(N3C(=O)N[C@@H](C(C)C)C3=O)cc2)CC1 5346139 NVIWCOUGTSMVRF-INIZCTEOSA-N 330.432 1.909 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NC(=O)Nc1ccccc1F 5316293 OQICJVVDGGTDOR-UHFFFAOYSA-N 340.314 1.884 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)CCNC(=O)c1n[nH]c2ccccc12 69563892 ICFSWOMDJVDDJI-ZDUSSCGKSA-N 344.415 1.568 0 40 EDAB CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(OC(C)C)nc1 69583238 CKWSAPMSWIYQKR-CYBMUJFWSA-N 337.445 1.862 0 40 EDAB O=C(NCC(=O)N1CCc2ccccc21)[C@@H]1COc2ccccc2C1 69655011 LQRKOLBGUAYPHU-INIZCTEOSA-N 336.391 1.943 0 40 EDAB C[C@H](O)CN1CCC(CN(C)Cc2nc(-c3ccoc3)no2)CC1 69778708 DBJFQNSNYCAAGN-ZDUSSCGKSA-N 334.420 1.854 0 40 EDAB CCN(C[C@@H]1CCOC1)S(=O)(=O)c1cccc(C(=O)OC)c1C 66576687 KRJJYOAKSFYESH-ZDUSSCGKSA-N 341.429 1.829 0 40 EDAB O=C(NCC1CC1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 69896772 FRMVSAIHOLJPKR-UHFFFAOYSA-N 341.367 1.157 0 40 EDAB COCCN1C[C@H](C(=O)N2CCC[C@H](c3nccs3)C2)CC1=O 67046898 PDSOUUDDTYEGIQ-QWHCGFSZSA-N 337.445 1.344 0 40 EDAB CCc1nc2n(n1)C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)CC2 69843189 RCJBDDFOXQIKPI-YJBOKZPZSA-N 339.443 1.765 0 40 EDAB COC(=O)CCN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)C(C)C 69842675 MSNYUAOSIVVRHA-UHFFFAOYSA-N 345.399 1.970 0 40 EDAB Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CNC(=O)N3)s2)cc1F 89643389 IJXBQNUBMQGFBX-LBPRGKRZSA-N 334.376 1.801 0 40 EDAB COc1ccc([C@@H]2CC(=O)c3cn4nc(N)nc4nc3C2)cc1OC 18199097 YQLFMZGSHSMDLG-JTQLQIEISA-N 339.355 1.636 0 40 EDAB Cn1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 15575640 XSJZZOVNYPKHSH-UHFFFAOYSA-N 348.428 1.847 0 40 EDAB CS(=O)(=O)N1CCCN(Cc2ccccc2OC(F)F)CC1 69902316 IDRPIMZSCWKMEN-UHFFFAOYSA-N 334.388 1.755 0 40 EDAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 18250409 YMMLFBCDEFGFAP-OAHLLOKOSA-N 330.384 1.594 0 40 EDAB O=C(NCCN1CCCCCC1)c1cccnc1N1CCOCC1 89773286 LQNFLRCMCBIHQU-UHFFFAOYSA-N 332.448 1.524 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2C(C)C)c1C 8922119 DJXCAULMTGPOML-UHFFFAOYSA-N 337.405 1.961 0 40 EDAB Cc1cc(NNS(=O)(=O)c2cc(F)ccc2F)n2ncnc2n1 9051775 WQPQIROOASAFJU-UHFFFAOYSA-N 340.315 1.016 0 40 EDAB COCc1cccc(S(=O)(=O)N[C@@H](C(=O)OC)C(C)(C)C)c1 72289865 SCZLEJLNSAXMCY-ZDUSSCGKSA-N 329.418 1.699 0 40 EDAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CN1CC(n2cccn2)C1 72267700 JTCICODPIHZXGQ-NSHDSACASA-N 330.354 1.929 0 40 EDAB CCc1sc2nnn(CC(=O)Nc3nccs3)c(=O)c2c1C 9420738 SOCSRENEJCHXNZ-UHFFFAOYSA-N 335.414 1.819 0 40 EDAB COc1cccc(CN(C)CN2C(=O)NC3(CCSCC3)C2=O)c1 71795895 RWICMRWVPPWJTF-UHFFFAOYSA-N 349.456 1.902 0 40 EDAB O=C(COc1cc(F)ccc1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269650 MSRUWXGXFJRYGN-CABCVRRESA-N 340.370 1.401 0 40 EDAB O=C(Cc1cccs1)Nc1ccccc1NC(=O)Cn1cnnn1 71884315 OBAQTGUEJVJPGV-UHFFFAOYSA-N 342.384 1.555 0 40 EDAB COc1cc(CNC(=O)c2sc(C)nc2C)ccc1OCC(N)=O 71814855 LIXNFGTUOYMAEW-UHFFFAOYSA-N 349.412 1.563 0 40 EDAB CN1CCN(CCOc2ccccc2NC(=O)c2cccn2C)CC1 71883030 GBMPOIKIJUEMAJ-UHFFFAOYSA-N 342.443 1.904 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cnn(-c2ccccc2)n1 71810933 FLERUOKAIHRSRQ-SFHVURJKSA-N 333.395 1.680 0 40 EDAB O=C(NCc1cccc(COC2CCCCC2)c1)c1n[nH]c(=O)[nH]1 71898187 JCPBLWQJWIIBMT-UHFFFAOYSA-N 330.388 1.877 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)CN2CSCC2=O)n1 72279927 CGVDMOITPZFESR-AWEZNQCLSA-N 336.461 1.414 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 72234495 BDWPGEGPLQZGNE-SJORKVTESA-N 340.431 1.290 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NCCc2cn3ccccc3n2)C1 89954651 JEUOIKTVVORGMV-AWEZNQCLSA-N 329.404 1.187 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1nc(-c2cccnc2)no1 75572877 CAPMFVKLIAWGOX-SNVBAGLBSA-N 340.387 1.902 0 40 EDAB COc1cccc(-c2nc(CS(=O)(=O)c3nc[nH]n3)cs2)c1 72312660 XANMHSQWSPJBMJ-UHFFFAOYSA-N 336.398 1.911 0 40 EDAB CCNc1ccc(Br)cc1NC(=O)[C@@H]1CNC(=O)C1 97233655 GJJBWYZPROHVRN-QMMMGPOBSA-N 326.194 1.956 0 40 EDAB O=C(CCS(=O)(=O)c1ccccc1)N1CCC[C@H]1Cn1cccn1 75602042 LYLRHASPPZUXCA-HNNXBMFYSA-N 347.440 1.738 0 40 EDAB NC(=O)CN(C1CCCC1)S(=O)(=O)N1CCC[C@H]1c1ccco1 84432368 JRVYMKRUCYSBNQ-ZDUSSCGKSA-N 341.433 1.391 0 40 EDAB CNC(=O)CCN(C)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 95396752 UPJDOBBNBNUELD-ZDUSSCGKSA-N 343.349 1.879 0 40 EDAB CCn1cc(C(=O)C(=O)NCc2cc(OC)c(OC)cc2OC)cn1 95442144 BXZKVAXECQPARN-UHFFFAOYSA-N 347.371 1.428 0 40 EDAB O=C1NC[C@@H]2CN(c3nc4ccccc4nc3N3CCCC3)CCN12 95449419 MLATUOGWTDXERS-CYBMUJFWSA-N 338.415 1.444 0 40 EDAB CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2nc(CC(C)C)no2)C1=O 95439429 GVZMLADGODAPNA-MRXNPFEDSA-N 346.391 1.359 0 40 EDAB Cc1cc(NC(=O)CN2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)on1 78879757 PUIXPGIJBJTTDC-LLVKDONJSA-N 334.380 1.237 0 40 EDAB Cn1cc(NC(=O)NC2CCN(Cc3ccccn3)CC2)ccc1=O 95954006 KUIHABIWYKUKRB-UHFFFAOYSA-N 341.415 1.566 0 40 EDAB NC(=O)c1ccc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)cc1 95997966 HQWKYJGDRDPLND-UHFFFAOYSA-N 347.378 1.741 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)Nc1n[nH]c2c1c(CC)nn2C 79015414 SHXBPSIKSVSOGP-LLVKDONJSA-N 332.408 1.588 0 40 EDAB Fc1ccc(N2CCN(Cc3nnnn3Cc3ccco3)CC2)cc1 35288980 QQRHDTYIZQLSHY-UHFFFAOYSA-N 342.378 1.776 0 40 EDAB CN(C)C(=O)COCC[C@H]1CO[C@H]2CN(Cc3ccccn3)C[C@@H]12 306136696 QAHRINIUODFFIH-XIRDDKMYSA-N 333.432 1.023 0 40 EDAB CN(C)C(=O)CN1CCC[C@H](c2ccnc(Nc3cncnc3)n2)C1 72377914 JWSNBZMKQADRSM-ZDUSSCGKSA-N 341.419 1.278 0 40 EDAB N[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218484503 JKUXKKNUZIABGL-OWCLPIDISA-N 337.828 1.970 0 40 EDAB Cc1cc(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(=O)[nH]1 78879535 OGVCDMNNHUFZBX-GFCCVEGCSA-N 335.404 1.731 0 40 EDAB COc1ccccc1CCNC(=O)c1ccc(-n2nnnc2C)cc1 71279311 OYAOFUWTNIIMPI-UHFFFAOYSA-N 337.383 1.952 0 40 EDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NCCC(C)C 72403211 NPKBGDLSRYMKPF-CYBMUJFWSA-N 327.450 1.635 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N1CCc2cc(F)ccc2[C@@H]1C 73881158 JHJQBUBUHZNVIB-LBPRGKRZSA-N 342.436 1.943 0 40 EDAB Cc1cc(NCCN2CCOCC2)n2nc(-c3nccn3C)cc2n1 72338488 NHTXMURDKHZRJQ-UHFFFAOYSA-N 341.419 1.182 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 78879427 FGYTZDXCGQMORJ-LBPRGKRZSA-N 348.465 1.183 0 40 EDAB O=C(NCCC(=O)N1CCO[C@H](c2ccccc2)C1)c1cnccn1 72404043 MJKKRBDCQHZBBQ-INIZCTEOSA-N 340.383 1.197 0 40 EDAB CN(C)c1ncc(NC(=O)N2CCC([C@H]3OCCC[C@H]3N)CC2)cn1 561008535 NMXFYVMDFYDLLK-HUUCEWRRSA-N 348.451 1.293 0 40 EDAB COCc1nn2c(=O)cc(COC(=O)c3ccccc3F)nc2s1 41077301 HDTFDMNWUBXRJA-UHFFFAOYSA-N 349.343 1.794 0 40 EDAB CNC(=O)C[C@@H](NC(=O)C[C@H](N)Cc1ccccc1)c1ccccc1 568741816 IOKMZOYZWRSLNF-QZTJIDSGSA-N 339.439 1.940 0 40 EDAB O=C(c1ccc(F)cc1)N1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 85436097 XPTWYERBDQVMOJ-MRXNPFEDSA-N 347.390 1.567 0 40 EDAB biogenic,in-vitro CO[C@@H]1CC[C@H](NC(=O)N2CCC(CN3CCN(C)CC3)CC2)C1 192209053 UMLFOOLMVSCZCD-DLBZAZTESA-N 338.496 1.223 0 40 EDAB O=C(Cn1cnnn1)NCc1ccc(Cn2cnc3ccccc32)cc1 61523358 UCXAWYHTDIMVDU-UHFFFAOYSA-N 347.382 1.388 0 40 EDAB C[C@@H](CCc1ccccc1F)C(=O)N1CCN([C@@H](C)C(N)=O)CC1 80294904 SVXPMNUEHOOELO-KBPBESRZSA-N 335.423 1.412 0 40 EDAB CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(C1)CN(Cc1ccccn1)C2 514290314 XDZIHGLYZPWHJT-QZTJIDSGSA-N 330.476 1.043 0 40 EDAB biogenic,in-vitro NS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 40218576 UNQSEYQKEKVGGA-UHFFFAOYSA-N 327.387 1.103 0 40 EDAB Cc1ccc2c(c1)N(CC(=O)N[C@@H](CO)c1ccccc1)C(=O)CO2 85432440 UGCNTOZBUCIJOA-HNNXBMFYSA-N 340.379 1.570 0 40 EDAB COc1ccc(S(=O)(=O)NCCn2ccn3nc(C)cc23)cc1 225579923 XYKGGRACTCLERR-UHFFFAOYSA-N 334.401 1.431 0 40 EDAB Cc1cnccc1OC1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 329002991 LSOIQHKRYZWGAJ-AWEZNQCLSA-N 341.415 1.614 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)CC(C)C)CC2 96254852 MSGFHYNJYSYQPG-UHFFFAOYSA-N 332.448 1.595 0 40 EDAB CCC12CN3CC(C)(CN(C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O 95346033 ZIGLKSZDRMYMDI-UHFFFAOYSA-N 339.439 1.741 0 40 EDAB biogenic Cn1cccc1[C@@H]1COCCN1C(=O)c1cccc(-n2ccnn2)c1 97379526 BLGPWMCJQMMUQP-KRWDZBQOSA-N 337.383 1.820 0 40 EDAB Cc1nc(CN2CCOC[C@@]3(CC[C@H](Cn4cncn4)O3)C2)cs1 96063433 DHYBGLRXBNKXML-HZPDHXFCSA-N 349.460 1.493 0 40 EDAB CO[C@@H]1CCN(c2ncc(F)cn2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96108577 RCOMONNLRDAABQ-GVDBMIGSSA-N 343.406 1.736 0 40 EDAB O=C1C[C@@H](c2ccccc2)C2(CCN(C(=O)[C@@H]3CCOC3)CC2)N1 96069692 PHDALMHWVVYQIM-CVEARBPZSA-N 328.412 1.688 0 40 EDAB Cn1cc(CN2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)cn1 96226327 KMOGUTRQYKQEQM-SFHVURJKSA-N 327.432 1.687 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)no1 96208843 GCGSIGKDSOMCDD-QAPCUYQASA-N 349.431 1.070 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)n1 257258319 KTICASQENLXTNL-CQSZACIVSA-N 345.403 1.065 0 40 EDAB NN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2)C1=O 1083103430 BPJOCLZZCJUZBP-LPHOPBHVSA-N 346.390 1.727 0 40 EDAB Cc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](N(C)Cc2ccc(F)cc2)C1 257231453 GGTLSOHHLDHTRX-IAGOWNOFSA-N 346.406 1.185 0 40 EDAB CCCn1cc(-c2nccnc2C[C@H]2CCN(S(C)(=O)=O)C2)cn1 257226065 FIZSZZSSWSPUMY-CYBMUJFWSA-N 349.460 1.574 0 40 EDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)Cn3cccn3)C[C@@H]21 257256014 KJSXUDRQNZMXSS-QLFBSQMISA-N 326.404 1.047 0 40 EDAB CC[C@@](O)(C(=O)N[C@@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1 252500176 SOHCTZNNIWQEFU-PBHICJAKSA-N 348.834 1.969 0 40 EDAB O=C(N[C@H](C(=O)O)[C@@H]1CCCOC1)c1cc(O)nc2cc(F)ccc12 262814304 PMNAIUMGTXDGCY-PSLIRLAXSA-N 348.330 1.689 0 40 EDAB COC[C@@]1(C(=O)O)CCCN(C(=O)CN2CCCCCCC2=O)C1 262958359 RLFOCGBXPCDTDX-QGZVFWFLSA-N 340.420 1.119 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)cc1 270207334 NKIVLFLRBYAFOF-UHFFFAOYSA-N 334.319 1.669 0 40 EDAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@]1(O)CCCC(C)(C)C1)C2 606444530 QFPSQRRFTZPDTA-KUHUBIRLSA-N 349.475 1.489 0 40 EDAB COC(=O)c1oc(S(=O)(=O)N2CC[C@@H](C)[C@@H](CO)C2)cc1C 598623467 AQZUFCHOWKTFNF-MWLCHTKSSA-N 331.390 1.014 0 40 EDAB Cn1cc(Br)c(C(=O)NC(C)(C)[C@@H](O)C(F)(F)F)n1 1615550012 UMPXKUWKJPVNHP-MRVPVSSYSA-N 344.131 1.614 0 40 EDAB CC(C)(C)SCCCC(=O)N1CCC(O)(Cn2ccnn2)CC1 1615614092 MBKSGOGEOFZAKD-UHFFFAOYSA-N 340.493 1.944 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@@]2(CCN(C(=O)C3CC(O)C3)C2)C1=O 585106928 LJYHJJULJKRRIB-GETDIDHLSA-N 328.412 1.232 0 40 EDAB CC1(C)C[C@]2(CCCN2C(=O)/C=C/c2cccnc2)[C@H](CC(N)=O)O1 585288252 SHRIXCSYKDRLHJ-RYUWCBOHSA-N 343.427 1.899 0 40 EDAB Cc1nc(O)cc(C(=O)N2CC[C@](O)(COc3ccccc3C)C2)n1 585277373 SYRNQGFQNPGVFP-GOSISDBHSA-N 343.383 1.455 0 40 EDAB O=C(CSc1nnnn1Cc1ccccc1)NCc1cccnc1 69702615 GFTSDMRCJJQKMJ-UHFFFAOYSA-N 340.412 1.525 0 40 EDAB NC(=O)CN1CCN(C(=O)CCc2ccc3ccccc3c2)CC1 65553942 HFGHSPQXUXMRGR-UHFFFAOYSA-N 325.412 1.402 0 40 EDAB CCN1CCN([C@@H]2CCN(C(=O)Nc3ccc(OC)cc3)C2)CC1 84789292 GHWNIYVVIMBOHB-MRXNPFEDSA-N 332.448 1.939 0 40 EDAB CCNS(=O)(=O)CCNC(=O)c1ccc(C)cc1Br 96484644 QDVOUALOTJXOED-UHFFFAOYSA-N 349.250 1.427 0 40 EDAB Cc1nc2cc(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)ccc2o1 89721656 HWBQYUJJFVMFQM-SNVBAGLBSA-N 325.328 1.851 0 40 EDAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(OC)cc1 491232 MTTZMGKEPYXPSC-INIZCTEOSA-N 329.352 1.915 0 40 EDAB C[C@H](C(=O)NCc1nccs1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 585121478 QKOCUAWGOOJJAQ-QWRGUYRKSA-N 343.449 1.623 0 40 EDAB Cc1ncnc(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]3C2)c1C 585613566 AQROLXNWYXPADK-HOTGVXAUSA-N 330.432 1.415 0 40 EDAB CCCCNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 5978305 LMSZFZWCVSDKMZ-UHFFFAOYSA-N 328.434 1.540 0 40 EDAB Cc1nn(CC(=O)NCc2cccs2)c(=O)c2cc3occc3n12 5149289 LRGWYBSVJWBSMJ-UHFFFAOYSA-N 342.380 1.929 0 40 EDAB COc1ccc(CCNC(=O)C(=O)NCc2ccco2)cc1OC 5514330 YBSXFMSKGQSJBQ-UHFFFAOYSA-N 332.356 1.272 0 40 EDAB CCOC(=O)[C@H]1[C@@H](c2cccs2)NC(=O)N[C@@]1(O)C(F)(F)F 11858993 PGEUKBIMRDIPOG-XLDPMVHQSA-N 338.307 1.532 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)N1CCOCC1)c1ccc(F)c(F)c1 12114983 LMYRKOGURKGBLG-AWEZNQCLSA-N 336.342 1.830 0 40 EDAB COc1cccc(-c2cc(CC(=O)NCCN3CCOCC3)no2)c1 12865239 JMXCABBTYYEDLE-UHFFFAOYSA-N 345.399 1.341 0 40 EDAB COc1cccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)c1 16735204 XOTRKNOIGKPSNQ-LCYFTJDESA-N 325.349 1.967 0 40 EDAB N[C@@H](CS[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O)C(=O)O 16899920 WFTJNLHOQWRRIF-WCBMZHEXSA-N 328.777 1.117 0 40 EDAB O=S1(=O)CC[C@H](NCCCn2ccnn2)c2cc(Cl)ccc21 157972688 XVEAMPUHSGVRBR-ZDUSSCGKSA-N 340.836 1.830 0 40 EDAB CC(=O)N[C@]12CN(C)C[C@H]1CCN(C(=O)c1c(C(C)C)noc1C)C2 19711698 IAHDGTNGNQJYBP-KDOFPFPSSA-N 348.447 1.389 0 40 EDAB COc1ccccc1C1(C(=O)N2CCN(c3cnsn3)CC2)CC1 585149065 ZBRQKOKKYYIOKZ-UHFFFAOYSA-N 344.440 1.927 0 40 EDAB CN(C(=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 4504631 UVYMGVZQZHDJLF-LLVKDONJSA-N 332.219 1.708 0 40 EDAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 5197555 WRGPRUBQZHQMKV-JTQLQIEISA-N 331.328 1.574 0 40 EDAB O=C(C1CC1)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888863603 YYZLBHNMKGHGHB-LLVKDONJSA-N 327.388 1.639 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O 30972090 IAGCSFZAJFIFIL-QGZVFWFLSA-N 347.321 1.953 0 40 EDAB CN(CC(N)=O)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1776008532 JTYOGUPUZKHZSZ-UHFFFAOYSA-N 333.342 1.028 0 40 EDAB Brc1cc2c(c(CN3CCn4cnnc4C3)c1)OCC2 153873451 YVBSRFZLYQAFMJ-UHFFFAOYSA-N 335.205 1.991 0 40 EDAB CCn1cc(CN2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)c(C)n1 2037983999 NBQZUWJEFJXKFR-GOSISDBHSA-N 334.464 1.671 0 40 EDAB CO[C@@H]1CN[C@H](C(=O)N(C)Cc2nccn2Cc2ccccc2)C1 583618214 RTCSQLMAWGQFGQ-HOTGVXAUSA-N 328.416 1.267 0 40 EDAB COc1cnc(O[C@H]2CCN(CC(=O)N3CCCCCC3)C2)nc1 2086951537 ROSHVGZQUYRXPI-AWEZNQCLSA-N 334.420 1.341 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@]1(O)CSCc2ccccc21 2087131346 VQPRDNLIHLOTGU-INIZCTEOSA-N 333.413 1.293 0 40 EDAB O=C(N1CCc2nnc(COc3ccccn3)n2CC1)C1(F)CCC1 1565547939 UFWUMEHHZHGWQN-UHFFFAOYSA-N 345.378 1.529 0 40 EDAB O=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1cccs1 9571263 YQZXLLCCOGCEDG-UHFFFAOYSA-N 339.377 1.341 0 40 EDAB C[C@]1(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)CC=CCC1 2055713449 QRHUDVKCYRAODA-SFHVURJKSA-N 340.431 1.654 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2cccnc2)CC1 2055746496 OGRFRQLOVYXBBX-UHFFFAOYSA-N 328.420 1.008 0 40 EDAB c1cc2c(N3CCCN(c4ccc5nccn5n4)CC3)ncnc2cn1 2086867327 KHCVNNNXPVECQP-UHFFFAOYSA-N 346.398 1.784 0 40 EDAB C[C@@H](NC(=O)c1cn(C[C@@H](O)c2cccs2)nn1)c1ccncc1 575605671 CJVRFQFRNVTROV-BXUZGUMPSA-N 343.412 1.959 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccc(F)cc1 17306806 CEIAORKIOQNYBQ-UHFFFAOYSA-N 327.337 1.204 0 40 EDAB O=C(O[C@@H]1CCCCC1=O)c1ccc(N2CCCS2(=O)=O)cc1 40034353 UIXFWIWIUBOULU-OAHLLOKOSA-N 337.397 1.895 0 40 EDAB C[C@@]1(NC(=O)CCc2nc(-c3ccccc3)no2)CCS(=O)(=O)C1 40464657 HSTJYWLWKKFGTN-MRXNPFEDSA-N 349.412 1.363 0 40 EDAB CCn1c(SCC(=O)NCC(F)(F)F)nc2ncccc2c1=O 31614320 YYFIUXDUDYGQQS-UHFFFAOYSA-N 346.334 1.582 0 40 EDAB Cc1ccc(CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C(C)C)o1 40554830 KEFPUXXLCZSZSC-VQHVLOKHSA-N 345.399 1.436 0 40 EDAB Cn1nc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c2ccccc2c1=O 40553927 INJIVRKSXNBFGH-HUUCEWRRSA-N 327.384 1.717 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NC[C@H]2Cc3ccccc3O2)c1 40511371 BOLKAFPUOVRETL-CQSZACIVSA-N 349.408 1.986 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 40515758 ZWJNMWVNDVWORW-SNVBAGLBSA-N 332.372 1.366 0 40 EDAB CN1N=C(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)CCC1=O 29083851 KZIXZCFJNIQVGL-HNNXBMFYSA-N 343.362 1.373 0 40 EDAB COCCn1c(C(=O)NCc2ccncc2)nc2ccccc2c1=O 31819112 XQQMIVDURPUSOM-UHFFFAOYSA-N 338.367 1.368 0 40 EDAB C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)NC(N)=O 4220963 KMMRWRWWMOBDFP-SNVBAGLBSA-N 328.324 1.799 0 40 EDAB COc1cccc(Nc2nc(NCCCO)c3cnn(C)c3n2)c1 32124315 AOUUGWHIPCEWDM-UHFFFAOYSA-N 328.376 1.910 0 40 EDAB biogenic Cc1cscc1C(=O)NCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101572184 GRBWGDPEFWHGPU-NZBPQXDJSA-N 344.436 1.984 0 40 EDAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C)C=C[C@]3(C)O2)cc1 100171804 CGGHNGQHQKAQJH-OSLDLMBLSA-N 327.336 1.696 0 40 EDAB NS(=O)(=O)c1ccc(CNc2nccc(C(F)(F)F)n2)cc1 29525120 PHWLUWQCTZIYBH-UHFFFAOYSA-N 332.307 1.755 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2nc(C)cs2)c1 21483307 LQSXGHFNYJEYBR-UHFFFAOYSA-N 339.442 1.598 0 40 EDAB CCOC(=O)C1(O)CCN(C(=O)CN(C)Cc2ccccc2)CC1 71916622 QNBPCKNMGYXMLT-UHFFFAOYSA-N 334.416 1.035 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)NCc2ccnc(N(C)C)c2)c1C 32830830 PFIPLLNNFHAHOP-UHFFFAOYSA-N 330.388 1.809 0 40 EDAB O=C(/C=C/c1ccsc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 69417795 IBXKYJYCVZQAFY-JKWAOEONSA-N 340.470 1.139 0 40 EDAB CC(C)c1cc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)n[nH]1 89893309 PEWSVOWHRVALHS-UONOGXRCSA-N 327.450 1.961 0 40 EDAB CCOc1ccccc1N1CCN(CC(=O)NC[C@H]2CCCO2)CC1 57854196 WXXJJMHLUJSQEA-MRXNPFEDSA-N 347.459 1.503 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](C)N1CCOCC1 29959329 WSWHVOXNTCXMQT-CQSZACIVSA-N 344.415 1.331 0 40 EDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)N1CCC[C@@H](C)C1 33463165 LGFZMNJIVYXKOB-LLUUXILJSA-N 326.418 1.225 0 40 EDAB O=C(Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccoc1 24471526 HTRQAZWUSLFJCT-UHFFFAOYSA-N 337.353 1.520 0 40 EDAB CS(=O)(=O)/N=C(\O)Cc1csc(NC(=O)c2ccccc2)n1 42279122 UAKWGQVZILEJGO-UHFFFAOYSA-N 339.398 1.854 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)N(C[C@@H]1CCOC1)C1CC1 46935944 DDJCUOIVASDONI-ZDUSSCGKSA-N 327.384 1.424 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NCc1c(C)nn(C)c1C 12397955 MVFNITKRCNUFBT-UHFFFAOYSA-N 343.430 1.364 0 40 EDAB O=C1C=C(N2CCN(c3ccccc3O)CC2)C(=O)N1c1ccccc1 1442161 PIGOLAZDMXRPST-UHFFFAOYSA-N 349.390 1.972 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2cc3cc(F)ccc3s2)CC1 25232357 KDYYJMQSMBKSFY-UHFFFAOYSA-N 349.431 1.981 0 40 EDAB COC(=O)CCCS(=O)(=O)N[C@@H](C)CN1C[C@@H](C)C[C@@H](C)C1 107075953 KQMFMWDTIWPVAZ-MJBXVCDLSA-N 334.482 1.225 0 40 EDAB Cc1cc(NC(=O)CN2CCC(C(=O)N3CCCC3)CC2)n(C)n1 25754927 UMRLQQHUXUNWJS-UHFFFAOYSA-N 333.436 1.001 0 40 EDAB Cc1cccc(S(=O)(=O)NCC2CCN(c3ncccn3)CC2)c1 43955397 JCCDRDGGTHTDAV-UHFFFAOYSA-N 346.456 1.980 0 40 EDAB COCCN(CC(C)C)S(=O)(=O)c1ccc(C)c(C(N)=O)c1 26825301 HDXFTAHRTNESLX-UHFFFAOYSA-N 328.434 1.387 0 40 EDAB Cc1csc([C@](O)(CC(=O)Nc2ccn(C)n2)C(F)(F)F)n1 58197144 JBTLAJQYBHFENT-LLVKDONJSA-N 334.323 1.964 0 40 EDAB CC(C)c1ccc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 27681698 SAKVNXVARAXOGQ-UHFFFAOYSA-N 347.440 1.765 0 40 EDAB C[C@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)[C@@H](C)CO1 44909497 VRXCGZQUMRDHMO-RYUDHWBXSA-N 338.429 1.258 0 40 EDAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NC1CCN(CC(N)=O)CC1 44952234 UVPBDTLESXRJPZ-UHFFFAOYSA-N 347.463 1.195 0 40 EDAB O=C1CN(C(=O)Cn2ccc3c(Br)cccc32)CCN1 44902265 RBMSIOXCHSDIBU-UHFFFAOYSA-N 336.189 1.362 0 40 EDAB C[C@H](C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 58342542 RCZAWERLNDLURV-LLVKDONJSA-N 341.429 1.285 0 40 EDAB CC(C)(C)CC(=O)NCC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 58392469 GWRSPALIRSXHOL-NSHDSACASA-N 337.386 1.539 0 40 EDAB CC(=O)c1cccc(NC(=O)NCCn2nc3ccccn3c2=O)c1 58331152 RQXHJSGXPUMBFV-UHFFFAOYSA-N 339.355 1.520 0 40 EDAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(OC)nc2)CC1 48018469 GMLKFGWXKOAVFQ-CYBMUJFWSA-N 349.435 1.154 0 40 EDAB O=C1COc2ccc(C(=O)COC(=O)c3ccc(O)cc3)cc2N1 3339635 URDIEMFUINLMIT-UHFFFAOYSA-N 327.292 1.763 0 40 EDAB COc1ccccc1CN(CCN1C(=O)CCC1=O)C[C@@H]1CCCO1 48253149 NXXBTFCTVBWURC-INIZCTEOSA-N 346.427 1.825 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O)c1ccco1 48300441 DFWUDGHJMQSDSW-TZMCWYRMSA-N 341.367 1.620 0 40 EDAB CSc1nc(C(=O)N2CCCC[C@@H]2CC(N)=O)c2ccccn12 69566759 RAISBPLQQBZYSI-LLVKDONJSA-N 332.429 1.926 0 40 EDAB CC(C)(CNC(=O)CCNS(C)(=O)=O)c1ccccc1Cl 69592589 QHXVAGMJSOPVME-UHFFFAOYSA-N 332.853 1.673 0 40 EDAB CN(CC(=O)NCc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 69535373 IZEVPDMZNDAZFR-UHFFFAOYSA-N 348.424 1.987 0 40 EDAB CS(=O)(=O)CCNCC1CCN(C[C@H](O)c2ccccc2)CC1 69564922 RLKYKJFFDYTBHD-KRWDZBQOSA-N 340.489 1.066 0 40 EDAB Cc1cccc(OC[C@H](O)CN2CCN(Cc3cnn(C)c3)CC2)c1 69628407 CYRMIEBEYBBBOH-GOSISDBHSA-N 344.459 1.286 0 40 EDAB CCOCCN1CCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 69661491 ITGIZNNFGCTAQA-SFHVURJKSA-N 349.450 1.800 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)CN2CCN(C[C@@H](C)O)CC2)cc1C 69652296 RGBLYMWYAHMUKS-IAGOWNOFSA-N 333.476 1.479 0 40 EDAB Cc1cc(NC(=O)CN2CCCC[C@H]2Cn2nc(C)nc2C)on1 69621272 NIEZOWBHCGXUJE-AWEZNQCLSA-N 332.408 1.685 0 40 EDAB Cc1ccc2oc(N3CCN(C[C@H](O)Cn4cccn4)CC3)nc2c1 69652581 MABCPNWRNZZOBM-HNNXBMFYSA-N 341.415 1.516 0 40 EDAB C[C@H]1CCCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)C1 13689052 UQPVBYXGABALLI-ZDUSSCGKSA-N 341.411 1.980 0 40 EDAB O=C(C[C@H]1N=C(N2CCc3ccccc3C2)NC1=O)Nc1ccccc1 13724708 OJVADVHZYPDYQN-QGZVFWFLSA-N 348.406 1.928 0 40 EDAB C[C@@H](O)[C@@H]1CCCCN1Cc1nnc2n(C)c(=O)c3ccccc3n12 69703606 PSQYAMYGKBQIGJ-OCCSQVGLSA-N 341.415 1.317 0 40 EDAB Cc1cnn(CCN[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 69780301 YFKXQQCQOSYJBQ-CYBMUJFWSA-N 327.388 1.155 0 40 EDAB COC[C@@H](C)NC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 65443647 UQXNWJNQIPVOHX-CQSZACIVSA-N 349.431 1.320 0 40 EDAB CCN(CC)c1ccc(NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cn1 65458348 OJQCTQNIELUJEI-CYBMUJFWSA-N 340.449 1.579 0 40 EDAB CC(C)c1ncncc1C(=O)NCCNC(=O)Cc1ccccc1 65497746 LLRKTOBJSNLWOU-UHFFFAOYSA-N 326.400 1.689 0 40 EDAB NC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OCCO3)cc1 14017966 WYEIEJQEEGESFV-UHFFFAOYSA-N 328.324 1.574 0 40 EDAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(CO)O2)c1 408976546 RKSANEZCJBGONN-JFTQMJAMSA-N 327.336 1.085 0 40 EDAB CN(C)C(=O)CN(C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 65501245 VFLJAWFHPQIUBF-UHFFFAOYSA-N 339.244 1.843 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1cccnc1N1CCOCC1 65552963 ISLFTHXTFZTQRL-UHFFFAOYSA-N 344.463 1.316 0 40 EDAB CCN(Cn1nc(C(C)(C)C)[nH]c1=S)[C@@H]1CCS(=O)(=O)C1 14138439 FTMDLHHUTXRUFG-SNVBAGLBSA-N 332.495 1.705 0 40 EDAB Cc1ccc(N2C(=O)N(CC(=O)NC[C@H]3CCCO3)C(=O)[C@@H]2C)cc1 6582485 XLGQCGYCSVMOON-DZGCQCFKSA-N 345.399 1.447 0 40 EDAB Cc1ccc(-c2csc(NC(=O)CN3C(=O)CN(C)C3=O)n2)cc1 6549515 ZBROZLWJRYJHEU-UHFFFAOYSA-N 344.396 1.951 0 40 EDAB Cn1c(=O)n(CCC(=O)NCCOc2ccccc2)c2ccccc21 14777802 DOWRHELIJKTVGK-UHFFFAOYSA-N 339.395 1.925 0 40 EDAB Cc1ccc(OCCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 5814518 OXYXNWMMTHHOTN-UHFFFAOYSA-N 338.363 1.786 0 40 EDAB Cc1ccc(N([C@H](C)C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 67190023 QBNNSLWNZZJULM-HIFRSBDPSA-N 340.445 1.445 0 40 EDAB O=C(NCc1cccs1)[C@@H]1COCC(=O)N1Cc1ccccc1 70641359 FSVQXPLLOQLUIN-HNNXBMFYSA-N 330.409 1.792 0 40 EDAB CCc1nnsc1C(=O)OCc1cc(=O)n2cc(C)ccc2n1 7439467 QAFLNGSBHXUHNV-UHFFFAOYSA-N 330.369 1.774 0 40 EDAB Cc1ccc(N2Cc3cc(=O)n4c(nc5ccccc54)c3=C2N)cc1 15912083 URTMBBWXXAVNBR-UHFFFAOYSA-N 328.375 1.920 0 40 EDAB COc1cccc(OCC(=O)N2CCC(N3CCCC3=O)CC2)c1 90602592 DSKAGMDZAGTBAH-UHFFFAOYSA-N 332.400 1.687 0 40 EDAB CCOC(=O)C1CCN(C(=O)C2CCN(c3ncccn3)CC2)CC1 8992136 YDIXWBFVRANUSF-UHFFFAOYSA-N 346.431 1.495 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nncs1 8188646 JBBKEVXTCYQSJA-SNVBAGLBSA-N 337.426 1.929 0 40 EDAB CCOCCN1CCN(Cc2cccc(C(=O)N(C)C)c2)C[C@@H]1C 70021802 WPKDUXMPLVHEOF-INIZCTEOSA-N 333.476 1.931 0 40 EDAB CCN([C@@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)c1cnn(C)c1 70040283 SBWWPWYLJAIALJ-OAHLLOKOSA-N 348.428 1.236 0 40 EDAB O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1CCCN1C(=O)OCC(F)(F)F 69397093 NCJNDDRVWLVETJ-CMPLNLGQSA-N 349.353 1.503 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)NCCc3ccco3)ccc21 9530724 LOFDDKBTIOQWES-UHFFFAOYSA-N 334.397 1.710 0 40 EDAB CC(C)[C@@H](C(=O)N1CCCN(c2nccs2)CC1)n1cncn1 71830861 RTNABZDEQFQMGY-ZDUSSCGKSA-N 334.449 1.671 0 40 EDAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC[C@@H](n2cncn2)C1 71847062 OVBKMVHZQHDTNC-GDBMZVCRSA-N 339.399 1.495 0 40 EDAB Cc1ccc(NC2CCN(C(=O)[C@H](C(C)C)n3cncn3)CC2)nn1 71863554 DUEHBWXINLUCKP-INIZCTEOSA-N 343.435 1.677 0 40 EDAB NC(=O)CN(C(=O)C[C@H]1Sc2ccccc2NC1=O)C1CCCC1 71821098 LPDNMBFAOQJNIF-CQSZACIVSA-N 347.440 1.746 0 40 EDAB Cc1nnc(CN2CCN(C[C@H](O)c3cccc(F)c3)CC2)n1C 71877061 DVJXFXRPEAAXSB-INIZCTEOSA-N 333.411 1.114 0 40 EDAB O=C(N[C@@H]1CCc2c(O)cccc21)[C@H]1CC(=O)N(CC(F)(F)F)C1 71898048 OQYPCCLGIMEXKS-JOYOIKCWSA-N 342.317 1.907 0 40 EDAB C[C@@](O)(CNC(=O)CNC(=O)c1cccc(F)c1)c1ccc(F)cc1 89910630 RKKMKUVVQABQLJ-GOSISDBHSA-N 348.349 1.719 0 40 EDAB COCCN1CCN(C[C@H](O)c2cc(OC)ccc2OC)C[C@H]1C 72279854 JUDGAOASGGGWAR-PBHICJAKSA-N 338.448 1.390 0 40 EDAB CC[C@H](NC(=O)CNC[C@H]1CN(C)CCO1)c1ccc(Cl)cc1 72267894 CXVGDRVDGYMFOH-HOTGVXAUSA-N 339.867 1.828 0 40 EDAB NC(=O)Nc1ccc(CNC(=O)NCc2ccc3c(c2)OCO3)cc1 72235948 SDKVYTCVENSKFW-UHFFFAOYSA-N 342.355 1.905 0 40 EDAB CSCC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 72273415 DTRRTULDKCHTFY-GFCCVEGCSA-N 329.443 1.941 0 40 EDAB CC(C)C(=O)N1CCC(Nc2cc(N3CCC[C@H]3CO)ncn2)CC1 72276072 OTFPZFGSIHWKPB-HNNXBMFYSA-N 347.463 1.497 0 40 EDAB Cc1cnc(CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)o1 75741315 NJDFLKPASLKTQR-QGZVFWFLSA-N 340.427 1.906 0 40 EDAB CC(C)NS(=O)(=O)[C@@H]1CCN(c2noc(-c3ccccc3)n2)C1 97163382 MQZOSLFFNYBYSY-CYBMUJFWSA-N 336.417 1.643 0 40 EDAB COc1ccccc1-c1noc([C@H]2CC(=O)N(c3cn[nH]c3)C2)n1 97164366 UEFVHYVQWZMTCR-JTQLQIEISA-N 325.328 1.989 0 40 EDAB COCCCCS(=O)(=O)N1CCN(C2CCC(C)CC2)CC1 97163788 ALTPGICNDREFFQ-UHFFFAOYSA-N 332.510 1.939 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(OCC3CC3)nc2)C[C@H]1N1CCOCC1 72300417 LJTOOWPWLHIJNK-RHSMWYFYSA-N 345.443 1.663 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)C[C@H]1N1CCOCC1 76054874 ADRAXMSXDBPEKS-DJIMGWMZSA-N 330.428 1.417 0 40 EDAB CC(C)n1nc2c(cc1=O)CN(CC(=O)Nc1cccnc1)CC2 76064854 SOHVIFBHZMLGNZ-UHFFFAOYSA-N 327.388 1.216 0 40 EDAB CCN1C[C@@H](NS(=O)(=O)c2cc(OC)c(OC)cc2C)[C@H](C)C1 76058444 FRTNQKAEKHZSKG-CHWSQXEVSA-N 342.461 1.631 0 40 EDAB C[C@@H]1CN(C(=O)C2=Cc3ccccc3OC2)C[C@H]1N1CCOCC1 76054489 KWZUYMFMZBLHPG-RHSMWYFYSA-N 328.412 1.642 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3ccc(OCC4CC4)nc3)CCO2)n1 76045432 HVVUMGNJUVCZMC-AWEZNQCLSA-N 343.387 1.511 0 40 EDAB Cc1c(NCC(=O)NC(=O)NC(C)(C)C)cccc1N1CCOC1=O 76068995 KSZKRADCHOQAPK-UHFFFAOYSA-N 348.403 1.988 0 40 EDAB CC(C)(C)NC(=O)CN1C(=O)N[C@@]2(CCc3cc(Cl)ccc32)C1=O 95430251 JFKOBSFLRIYSPC-QGZVFWFLSA-N 349.818 1.948 0 40 EDAB CN(C)C1(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)CCC1 95418274 HVNGKBADJVNZOJ-ROUUACIJSA-N 343.471 1.583 0 40 EDAB Cc1noc(-c2cccnc2N2CCN(C(=O)C3CCC3)CC2)n1 95403194 ZJPLLYINBOSGHA-UHFFFAOYSA-N 327.388 1.889 0 40 EDAB O=C(CCn1cccn1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 95414284 LHQOYXPPOGPYGK-ROUUACIJSA-N 340.427 1.385 0 40 EDAB COc1ccc(F)cc1CN1CCO[C@H](CNc2cccnn2)C1 78893693 OKMMMQZLZPZMGA-OAHLLOKOSA-N 332.379 1.937 0 40 EDAB CCn1nc(C(=O)N[C@H](CC(=O)O)c2ccc(OC)cc2)ccc1=O 78814643 CACGAFBHGDOALX-CQSZACIVSA-N 345.355 1.218 0 40 EDAB Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900279 DAMCRYBERBCCFJ-CHWSQXEVSA-N 344.419 1.289 0 40 EDAB CN1CCCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 74725110 RJJMBHKLYKETIP-UHFFFAOYSA-N 337.367 1.495 0 40 EDAB C/C=C/c1cc(C(=O)OCC(=O)N2CCNC2=O)cc(OC)c1OC 9914232 XYFQROXIAAPKKK-SNAWJCMRSA-N 348.355 1.446 0 40 EDAB COc1ccc2cnn(CC(=O)Nc3ccccn3)c(=O)c2c1OC 79494619 HUCHRZFKGMJTNV-UHFFFAOYSA-N 340.339 1.447 0 40 EDAB Cc1n[nH]c(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1O 89502497 BPCWMISZIOFIMH-NSHDSACASA-N 326.360 1.838 0 40 EDAB Cc1nn(C)cc1CCC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 89544336 BUSHXAOIWBALIZ-INIZCTEOSA-N 349.456 1.563 0 40 EDAB Cn1cccc1[C@@H](CNC(=O)Cc1ccc(F)cc1)N1CCOCC1 21152188 YINYNVXBRPLZSK-GOSISDBHSA-N 345.418 1.896 0 40 EDAB CCc1nnc(CNc2cccc(S(=O)(=O)NC3CC3)c2C)o1 77246598 GDOAECMOLPGAGS-UHFFFAOYSA-N 336.417 1.993 0 40 EDAB Cc1ccc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cc1Cl 547559056 YPVCQSGQXAHTGI-UHFFFAOYSA-N 347.820 1.808 0 40 EDAB CCn1cc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)nc1C 547884283 DVMVIMGDWGEATC-UHFFFAOYSA-N 337.401 1.487 0 40 EDAB COc1ccccc1[C@@H](CO)NC(=O)[C@H](C)NC(=O)CC(C)(C)C 547981370 NOSQTOGUMLVCEX-GXTWGEPZSA-N 336.432 1.786 0 40 EDAB CCc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)cc1 211103583 ZRJFOCHDQLCZQV-UHFFFAOYSA-N 334.445 1.892 0 40 EDAB COc1cccc(C(=O)NCC(=O)N2CC[C@@H](O)C23CCCC3)c1 548789952 AAEWLUXNDZLQNC-OAHLLOKOSA-N 332.400 1.331 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1 36182600 LLIPFVAVYHKVAJ-UHFFFAOYSA-N 326.403 1.317 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C4OCCO4)C=C[C@H]3O2)cc1C 409277316 BOWHLVUTNMFPIW-DEXNDLTESA-N 341.363 1.489 0 40 EDAB Cn1cc(NC(=O)N2CCN(c3ncnc4ccsc34)CC2)nn1 515726437 HYVWSGZVIYOGMV-UHFFFAOYSA-N 344.404 1.174 0 40 EDAB Cc1cnc2cc(C(=O)N(C)C[C@H]3OCC[C@H]3c3nc[nH]n3)ccn12 1553979826 GGRVTWYTTAZWPI-ZIAGYGMSSA-N 340.387 1.406 0 40 EDAB C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 532063603 WYVVBYLNKRRRDN-GBOPCIDUSA-N 343.493 1.124 0 40 EDAB O=C1CN(C(=O)Cc2nnc(O)c3ccccc23)[C@H]2CCCC[C@@H]2N1 532343373 ZMJOQMWZCKXNNH-ZFWWWQNUSA-N 340.383 1.148 0 40 EDAB NC(=O)COc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 31184687 AXMMUMGDUWZLCZ-UHFFFAOYSA-N 337.335 1.645 0 40 EDAB CCN(CC)C(=O)Cc1ccc(NC(=O)N[C@@H]2CCCNC2=O)cc1 78394845 WXEFTPYGXNUHMA-OAHLLOKOSA-N 346.431 1.498 0 40 EDAB COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)cc1C(=O)N(C)C 79482569 ZVWVSIHKBJFOFV-STQMWFEESA-N 334.372 1.692 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2ncc(Cl)cn2)[C@@H](C(=O)O)C1 72202870 OGEHQOJHDWSXAQ-SNVBAGLBSA-N 342.783 1.640 0 40 EDAB COCCCNc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)O 217546649 CPALTONGYXNQTB-UHFFFAOYSA-N 330.406 1.520 0 40 EDAB CN(CC(=O)N1CCCC1)C(=O)c1ccc(Br)cc1O 44490943 YQYANLZFDOHSKQ-UHFFFAOYSA-N 341.205 1.849 0 40 EDAB COCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 223378606 JFLCICHJGHIGRV-UHFFFAOYSA-N 328.390 1.065 0 40 EDAB Cc1nc2c(c(N3CCN(c4c(N)c(C)nn4C)CC3)n1)CCCC2 225515924 XCXHDMVZWKXQSQ-UHFFFAOYSA-N 341.463 1.615 0 40 EDAB CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1cnn2c1OCCC2 333160875 GLBXFCFWGQGKOC-UHFFFAOYSA-N 342.465 1.161 0 40 EDAB CCc1cnccc1C(=O)N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 583618987 PSFBAVYCNGPMTP-SFHVURJKSA-N 343.431 1.940 0 40 EDAB O=C(Cc1cccnc1)N1CCC[C@]2(CCN(C[C@@H]3CCOC3)C2)C1 96158229 JHRBPOVCHQZQNP-AZUAARDMSA-N 343.471 1.975 0 40 EDAB COc1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1-n1nnnc1C 96403209 PELAIXNMIUPVTP-JTQLQIEISA-N 332.364 1.232 0 40 EDAB Cc1cc(C)n(-c2ccc(N3CCN(C(=O)C4CCC4)CC3)nn2)n1 96413726 PRIBBWZRCDWGLH-UHFFFAOYSA-N 340.431 1.728 0 40 EDAB Cc1cnc(C(=O)N2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)cn1 96044851 FNWGKMMCCOHWAO-CQSZACIVSA-N 343.431 1.931 0 40 EDAB O=S1(=O)CC[C@@H](N(Cc2ccc(Cl)nc2)C[C@H]2CCCO2)C1 96443330 BQEUOYSKJFZBDO-ZIAGYGMSSA-N 344.864 1.903 0 40 EDAB O=C(Nc1ccccc1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96124159 DKMXJSAVUWCKCJ-UHFFFAOYSA-N 349.398 1.912 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2cc(C)on2)[C@H]1Cc1cnn(C)c1 96200657 DHCIYHDPTXEWKU-HOTGVXAUSA-N 348.403 1.205 0 40 EDAB Cc1ccc(CN2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3CC2)s1 96249466 HNOSPUVJKZNDIZ-GJZGRUSLSA-N 344.502 1.681 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1C)C2 97198177 WANINJBJSSSLAW-CYBMUJFWSA-N 347.440 1.648 0 40 EDAB C[C@](Cn1cnc2ccccc21)(NC(=O)CC1CCOCC1)C(=O)O 1592930995 QBUNAUHLDLKLOD-GOSISDBHSA-N 345.399 1.813 0 40 EDAB COC[C@@H](C)S(=O)(=O)NC1CCN(CC2CCCCC2)CC1 96410376 CNSWZTJJAIXODC-CQSZACIVSA-N 332.510 1.985 0 40 EDAB O=C(c1ccsc1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 247851220 IVAYVZIBOHOVAO-ZDUSSCGKSA-N 331.397 1.991 0 40 EDAB CNC(=O)[C@@H]1COC2(CN(Cc3cccc4ccccc34)C2)CN1C 248083427 QWNHYDKYWNLTOE-SFHVURJKSA-N 339.439 1.471 0 40 EDAB COc1ccc([C@@H]2CNCCN2C(=O)Cn2cc(Cl)cn2)cc1 257266204 MBZPLTHHFBASFK-HNNXBMFYSA-N 334.807 1.718 0 40 EDAB COCc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)cc1 257284416 PCPVNNMSBVSPTI-KZNAEPCWSA-N 332.444 1.893 0 40 EDAB Cn1cncc1-c1ccc(C[C@H]2CCCN(S(C)(=O)=O)C2)nn1 257310471 UFEUPXSVVKQIOU-GFCCVEGCSA-N 335.433 1.091 0 40 EDAB CC(=O)N1CC2(CCN(Cc3ncccc3F)CC2)C[C@]1(C)CO 257315990 VDQLKUGMQYYPKS-QGZVFWFLSA-N 335.423 1.806 0 40 EDAB CO[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1c1cnn[nH]1 585088520 OMVBPERESQJMEL-XJKSGUPXSA-N 325.372 1.470 0 40 EDAB Cc1noc([C@H]2CN(C(=O)Cn3ccnc3)C[C@H]2c2ccccc2)n1 253473619 WTWSRUCGFNNSOW-HOTGVXAUSA-N 337.383 1.984 0 40 EDAB CN1CCC(N2CC[C@H](Cc3nccnc3-c3nccn3C)C2)CC1 257224782 FDIFZWSSCKWEGV-OAHLLOKOSA-N 340.475 1.836 0 40 EDAB Cc1nonc1CC(=O)N1CCC[C@@H](Cc2nccnc2N(C)C)C1 257204782 AWGVQPVCPVGFBB-ZDUSSCGKSA-N 344.419 1.258 0 40 EDAB COC(=O)[C@H](C)NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 585114081 HLJJXSAUFWTOAO-RYUDHWBXSA-N 340.420 1.844 0 40 EDAB O=C(NO[C@@H]1CCCCO1)c1c[nH]nc1I 585132443 WVRBHYSRNHTWMV-SSDOTTSWSA-N 337.117 1.202 0 40 EDAB COC(C)(C)C(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 257207346 BHIKDEWUQNCSBB-INIZCTEOSA-N 325.384 1.093 0 40 EDAB O=C(c1cnco1)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 257272047 NAWLHDFKCHVCKE-INIZCTEOSA-N 342.399 1.879 0 40 EDAB CN(Cc1ncc(-c2ccccc2C(=O)O)s1)S(C)(=O)=O 257338898 YZIZIDJNATXHCU-UHFFFAOYSA-N 326.399 1.900 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2cccn2C)n1 257241542 HYKIHUUEEJNQNR-HNNXBMFYSA-N 327.388 1.429 0 40 EDAB O=C(COc1ccccc1F)N1CCO[C@@H](CCc2ccncn2)C1 257300794 RVSNFFQKNOZDCZ-HNNXBMFYSA-N 345.374 1.855 0 40 EDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2nnc(C(C)C)o2)[C@H]1O 257304637 SMMADUVLEJZMGD-LALPHHSUSA-N 325.409 1.512 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H](Cc2cnc(NC)cn2)CC1 257297622 RIDSBQLOAIIXLL-ZDUSSCGKSA-N 326.466 1.903 0 40 EDAB Cc1nnc(NC(=O)CN2CC(c3nc(-c4ccco4)no3)C2)s1 96024288 OAULNFIIYRVLSB-UHFFFAOYSA-N 346.372 1.527 0 40 EDAB C[C@H]1CCCN(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 46877319 KTMPGOUTJSLGIL-FUHWJXTLSA-N 343.471 1.883 0 40 EDAB COCCCNC(=O)CN(C)c1nn2cc(C(C)(C)C)nc2s1 55274158 GGWXBGFIWXAIES-UHFFFAOYSA-N 339.465 1.677 0 40 EDAB COc1ccc(NC(=O)CS(=O)(=O)c2nccn2C)cc1Cl 63862030 FOCQEPGIAGAMOK-UHFFFAOYSA-N 343.792 1.495 0 40 EDAB CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cn1nnc2ccccc21 65568480 RPUZVYNLTIDWIR-SMDDNHRTSA-N 347.444 1.248 0 40 EDAB Cc1cccc(C(=O)NCCNC(=O)c2ccc(C(N)=O)cc2)c1 84210193 QUWNJWXVZKPXNR-UHFFFAOYSA-N 325.368 1.254 0 40 EDAB O=C1CN(C(=O)c2cc3c(OC(F)(F)F)cccc3[nH]2)CCN1 71819679 OTTKNSJRRQMGLE-UHFFFAOYSA-N 327.262 1.639 0 40 EDAB Cc1ncnc(OCC2CCN(CCN3CCCC3=O)CC2)c1C 1565521893 GEQBGWSDQPFVIN-UHFFFAOYSA-N 332.448 1.807 0 40 EDAB Cn1ccnc1[C@@H]1CN(c2ccncc2Cl)C[C@H]1NC(=O)C1CC1 1615554907 ZJDBTUTXVLROLX-TZMCWYRMSA-N 345.834 1.967 0 40 EDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NCC2CCCCC2)nn1 1549160073 ACRRZJILPSVIQI-ZMSDIMECSA-N 336.480 1.874 0 40 EDAB O=C(c1ccc(Cl)cc1Cl)n1cnc2c(=O)[nH]c(=O)[nH]c21 5890069 VPJVGOSZRBKTLJ-UHFFFAOYSA-N 325.111 1.408 0 40 EDAB COc1ccccc1C(=O)NCCC(=O)O[C@H](C)C(=O)N1CCCC1 12803661 FCJXSCFXRPKTTA-CYBMUJFWSA-N 348.399 1.369 0 40 EDAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N3CCCC3)C2=O)cc1 13654514 MHWSCTPBDPWIRA-HNNXBMFYSA-N 345.399 1.518 0 40 EDAB CN1CCN(C(=O)Cn2c([C@H]3CCCO3)cc3cccnc32)CC1 19589762 QTWGJODPHKZPPE-MRXNPFEDSA-N 328.416 1.662 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@H](C(=O)N3CCCCC3)C2)cs1 19747281 OLKLDFCJWLOFIM-AWEZNQCLSA-N 337.445 1.234 0 40 EDAB CN1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1=O 155288070 QTWQUQMTBFCCPZ-LBPRGKRZSA-N 333.285 1.913 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cn[nH]c5)C[C@@H]4C3)n1)CCC2 1888867111 STARJDWXQHYCMC-KBPBESRZSA-N 338.415 1.205 0 40 EDAB Cc1nc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)sc1C 29442064 XKYACECBSPJRHT-ZDUSSCGKSA-N 343.412 1.819 0 40 EDAB COc1nccnc1N(C)CC1CCN(C(=O)c2cscn2)CC1 1776009296 CHOSYAUPUDRTIA-UHFFFAOYSA-N 347.444 1.930 0 40 EDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](c2ncon2)C1 238863937 LHXSAQDIGXYTFQ-GFCCVEGCSA-N 339.421 1.642 0 40 EDAB COCCN[C@@H]1CSC2(C1)CN(C(=O)CC1CCOCC1)C2 2056223918 HLHXYPCPBBDADB-AWEZNQCLSA-N 328.478 1.126 0 40 EDAB Cc1cccc(F)c1C(=O)N1CC2(CCN(S(C)(=O)=O)C2)C1 1565551797 VOIZMUDCVOJZMR-UHFFFAOYSA-N 326.393 1.242 0 40 EDAB Cc1noc([C@H]2CNC(=O)[C@H]3CCN(C(=O)C4CC(C)C4)CC[C@H]32)n1 1565550538 BIKOIQYLIWLZCQ-NRGUTWPYSA-N 346.431 1.492 0 40 EDAB Cc1nn(CC(=O)NC(C)C)c(=O)c2c1cnn2-c1ccc(F)cc1 13970810 DPCJANHTSISNEG-UHFFFAOYSA-N 343.362 1.554 0 40 EDAB CC[C@@H](C)CNC(=O)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055716089 YQWAXYWIDUPQMM-OLZOCXBDSA-N 332.448 1.890 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CC[C@H](Oc3cccnn3)C2)c1 225420549 WMXGHXPAVFTRLM-LBPRGKRZSA-N 337.405 1.096 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)CC1 43979637 XAQRVHWDPZMYJJ-UHFFFAOYSA-N 330.837 1.741 0 40 EDAB C[C@](O)(CNC(=O)C(=O)NCCc1ccccc1)Cc1ccsc1 618255661 VEHONZWMJHIWNE-GOSISDBHSA-N 346.452 1.517 0 40 EDAB CCN1CCN(c2cc(=O)n(-c3cc(Cl)ccc3C)c(=O)[nH]2)CC1 4005077 ZLOVAKZKQCIDSC-UHFFFAOYSA-N 348.834 1.630 0 40 EDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 5252625 MBXNBWMSEASSOC-UHFFFAOYSA-N 334.401 1.722 0 40 EDAB CCc1c(C)sc2nc3n(CC(N)=O)nc(SC)n3c(=O)c12 40284621 NZPPXNPSGHEFNN-UHFFFAOYSA-N 337.430 1.184 0 40 EDAB CCCn1nnnc1CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 7288687 LRNIYIFGPBTIPF-UHFFFAOYSA-N 346.391 1.264 0 40 EDAB O=C(NCCOc1cccc(Cl)c1)N[C@H]1CCCCNC1=O 45666640 WFZTUFYMTDXOJC-ZDUSSCGKSA-N 325.796 1.687 0 40 EDAB COc1ncccc1CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 40508830 DEHCOPCXAMTLIF-JTQLQIEISA-N 331.294 1.117 0 40 EDAB CCCN(Cc1ccccc1)C(=O)Cn1[nH]cc(C(=O)OCC)c1=N 100993051 HJXNCROLYRXSOF-UHFFFAOYSA-N 344.415 1.911 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@H]3C[C@H]3c3cccnc3)CC2)n1 51375555 YADQIUSKPFMJBD-GJZGRUSLSA-N 339.399 1.333 0 40 EDAB Nc1cc(=O)[nH]c(SCCCCN2C(=O)c3ccccc3C2=O)n1 11535512 VNPPCUJNWKZNDO-UHFFFAOYSA-N 344.396 1.521 0 40 EDAB CN1[C@H]2CCC[C@H]1CC(NC(=O)NCCC(=O)NC1CCCC1)C2 101363610 HXNPIFXZACURMB-HOTGVXAUSA-N 336.480 1.750 0 40 EDAB O=C(COC(=O)Cc1cccc(F)c1)NCc1ccc2c(c1)OCO2 7492411 VDTQYSTYJWLUJI-UHFFFAOYSA-N 345.326 1.957 0 40 EDAB CC(C)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 4995757 RHUZPBPISGYBHS-UHFFFAOYSA-N 338.351 1.996 0 40 EDAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])o1 6843456 YGDUIOMCBMOHEN-LLVKDONJSA-N 325.346 1.886 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)N[C@@H](C)[C@H]2CCCO2)cc1F 29735269 QSXMVMCKZWKCOP-SWLSCSKDSA-N 337.395 1.731 0 40 EDAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccn1 32937250 KIJLDQNMOKRICN-LLVKDONJSA-N 348.380 1.654 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1OC 32913446 GAUYEQAICYYHLX-LLVKDONJSA-N 325.390 1.267 0 40 EDAB Cc1nc(NCCCS(N)(=O)=O)c2c3c(sc2n1)CCC3 54837820 MHPDYAAPXWNEHF-UHFFFAOYSA-N 326.447 1.579 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N(C)C[C@@H]1COc2ccccc2O1 46462747 DRSGSIYZRVHBIL-ZIAGYGMSSA-N 330.388 1.753 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)N(C)Cc1ccc2c(c1)OCCO2 46480704 GIZAGCHZGLLXSR-AWEZNQCLSA-N 349.431 1.320 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O 22777065 SYYXHAJGLMSHOP-QGZVFWFLSA-N 348.472 1.544 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 22838211 YVPADEXULJSETC-GFCCVEGCSA-N 332.356 1.396 0 40 EDAB CC(C)(C)CC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134147 HRLHTRNIKRBIJN-UHFFFAOYSA-N 342.447 1.743 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN1CCN(CCOc2ccccc2)CC1 23285976 RCOHKIOWBJUDGB-QGZVFWFLSA-N 333.476 1.844 0 40 EDAB O=C(Cn1ccccc1=O)N1CCN(C/C=C/c2ccccc2)CC1 23624639 NJAZIIXOVAFVAM-RMKNXTFCSA-N 337.423 1.706 0 40 EDAB CN(CCOc1ccccc1F)C(=O)c1ccnc(-n2cncn2)c1 54673461 OQOXDTHIUUYKML-UHFFFAOYSA-N 341.346 1.952 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)c1cn(C)nc1C 100141309 QYAWQPHJFXYPMC-WFASDCNBSA-N 336.399 1.982 0 40 EDAB O=C(Cc1csc(N2CCNC2=O)n1)N=c1[nH]c2ccccc2[nH]1 47047492 OWMBQEPGUJOVNP-UHFFFAOYSA-N 342.384 1.152 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)[C@H](C)S(C)(=O)=O)cn2)C[C@@H](C)O1 106097254 XEKSIABZXZRVBS-TUAOUCFPSA-N 341.433 1.067 0 40 EDAB COc1ccc(OC[C@@H](O)Cn2nnc3ccccc3c2=O)cc1 24719595 VWYZBUGDUXALIM-LBPRGKRZSA-N 327.340 1.240 0 40 EDAB COc1ccc(CN2CCn3nc(C(=O)NC(C)C)cc3C2=O)cc1 1404905 BJWZTJHKNDURSO-UHFFFAOYSA-N 342.399 1.686 0 40 EDAB CCCCN(C)S(=O)(=O)NCc1ccnc(-n2ccnc2C)c1 56065817 ACMURLXTQSZDBO-UHFFFAOYSA-N 337.449 1.642 0 40 EDAB CCOC(=O)C1=C(CN(C)Cc2ccc(C)cc2)NC(=O)N[C@H]1C 57450439 UPLNDNMVOPZMNT-ZDUSSCGKSA-N 331.416 1.945 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1 58157482 MXWCDZBQSFBTCW-UHFFFAOYSA-N 345.384 1.780 0 40 EDAB O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1cnccn1 58137005 QNHQGBZDICCKHT-NSHDSACASA-N 341.289 1.665 0 40 EDAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCCC2)c1=O 44839905 GGGGDSPURMOVEQ-CYBMUJFWSA-N 329.400 1.757 0 40 EDAB Cc1cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)c2ccccc2n1 58210098 JVJCLHKMXRONLO-CYBMUJFWSA-N 327.384 1.520 0 40 EDAB CC(C)c1ccc(O)c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 58228467 MWTFQNYBMXUQHY-KRWDZBQOSA-N 346.427 1.979 0 40 EDAB C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1noc(C(C)(C)C)n1 44938717 YMQFSFAVYMFLRK-JTQLQIEISA-N 343.449 1.729 0 40 EDAB CN(C)C1CCN(C(=O)CN2C(=O)CSc3ccccc32)CC1 44934960 MIAOWRQEHRYRQP-UHFFFAOYSA-N 333.457 1.678 0 40 EDAB C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)C[C@@H](C)O1 3128443 JBVPLLBTQUDUCG-VXGBXAGGSA-N 345.848 1.891 0 40 EDAB COc1ccc(C)cc1CN1CCN(C(=O)c2nccnc2N)CC1 28028488 HPRCNENLSIBDGX-UHFFFAOYSA-N 341.415 1.334 0 40 EDAB CN(CC(=O)NC(C)(C)C)CN1C(=O)NC2(CCCCCC2)C1=O 36390311 RDIMUOGVBDKVIV-UHFFFAOYSA-N 338.452 1.435 0 40 EDAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1 10833901 JVZNECBIWLGNMP-OAHLLOKOSA-N 348.424 1.907 0 40 EDAB C[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1)CN1CCOCC1 80702167 SVJGJVSPJCAWRO-ZACQAIPSSA-N 349.479 1.634 0 40 EDAB COC(=O)c1cnc(NC(=O)c2ccccc2-n2cnnn2)s1 12784659 YZSJNUDCJIPRQC-UHFFFAOYSA-N 330.329 1.158 0 40 EDAB CC(=O)NCC1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 48357143 NKNZKIKKFNEGBR-UHFFFAOYSA-N 341.415 1.315 0 40 EDAB CN(Cc1ccccc1N1CCCCC1)c1nn(C)c(=O)n(C)c1=O 48345607 HLHFXVIGPPXVCY-UHFFFAOYSA-N 343.431 1.106 0 40 EDAB O=C(CNC(=O)c1ccccc1F)NCc1ccc2c(c1)OCCO2 12855485 YPJZYBJXIPCXPF-UHFFFAOYSA-N 344.342 1.643 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)c2ccccc2O1 7825819 ZUSXDQXTDQFWFY-KRWDZBQOSA-N 340.379 1.778 0 40 EDAB Cc1ccccc1[C@@H](C)NC(=O)NC1CCN(S(C)(=O)=O)CC1 12983809 JTOGFBHWLMTRCJ-CYBMUJFWSA-N 339.461 1.779 0 40 EDAB COc1ccc(NC(=O)NCc2ccc(OCC(N)=O)cc2)cc1 12905674 URYIBDOKOPAGBW-UHFFFAOYSA-N 329.356 1.881 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c(OC)c1 3596927 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CCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1 13947041 DNTRMMBWNRILQO-UHFFFAOYSA-N 348.472 1.718 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNC[C@@H](O)c1ccccc1F 65474792 ZMLSKDBZCPYLDG-QGZVFWFLSA-N 348.422 1.527 0 40 EDAB CCOc1ncnc2c1CN(C[C@H](O)COc1ccccc1C)CC2 65463510 IZIKJQXTZFOHCE-HNNXBMFYSA-N 343.427 1.982 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N[C@@H]3CCc4nccn4C3)cnc12 65464792 XWIPOIPZSJURDJ-CYBMUJFWSA-N 337.383 1.033 0 40 EDAB O=C(NCCN1CCOCC1)Nc1ccc(Br)cc1 65536103 HKCWPPYHMIYBQF-UHFFFAOYSA-N 328.210 1.903 0 40 EDAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)N2CCC[C@H](C)C2)n1 65515837 NIVDTURNKYMPSE-LBPRGKRZSA-N 340.449 1.237 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(F)cc1 5342888 RXYHPQMIOPILJK-DFBGVHRSSA-N 330.359 1.954 0 40 EDAB CCN1CCC[C@@H](NC(=O)COc2nn(C)c3nc(C)cc(C)c23)C1 69392266 GGWQBDHIOMPTHH-CQSZACIVSA-N 345.447 1.564 0 40 EDAB Cc1ccc(-c2cc(NC(=O)CSc3nncn3N)on2)cc1 14117122 FYMYMCNDYCSVQR-UHFFFAOYSA-N 330.373 1.686 0 40 EDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)COc1ccc(C(N)=O)cc1 69657103 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EDAB CN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)CC1 66858643 ZIGTZQQWURGKTH-QGZVFWFLSA-N 333.476 1.745 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N[C@H]1CCCOC1 69811051 OXPBPOCESOJRLU-JTQLQIEISA-N 334.344 1.983 0 40 EDAB CCCCN1C(=O)NC(=O)/C(=C(/C)NCCCn2ccnc2)C1=O 6907364 XIBJLCQZGRADPB-OUKQBFOZSA-N 333.392 1.015 0 40 EDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC1CCCCC1 18181647 FEVUXBMQDSIIKI-UHFFFAOYSA-N 344.459 1.959 0 40 EDAB Cc1ccc(-c2nnn(CC(=O)OCC(=O)c3ccc[nH]3)n2)cc1 18826299 AVNCVNUEPFMFRF-UHFFFAOYSA-N 325.328 1.403 0 40 EDAB Cc1cc(C)n2ncc(-c3noc(-c4nc5nccc(C)n5n4)n3)c2n1 89701933 IXRNYILHJPUQPJ-UHFFFAOYSA-N 347.342 1.809 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)C[S@](=O)c2cccc(Cl)c2)C1 89774678 KCKDKKQZWUNQNU-CHNSCGDPSA-N 328.821 1.172 0 40 EDAB Cc1nnc(CN(C)[C@H]2CCN(C[C@H](O)c3ccccc3)C2)n1C 89735969 YLMWPFOZPYBTRZ-IRXDYDNUSA-N 329.448 1.363 0 40 EDAB CNC[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C)C1 71144556 BLESWJLXSUHNGA-LLVKDONJSA-N 347.278 1.988 0 40 EDAB CC(=O)N1CCN(C(=O)c2cc(F)ccc2Br)CC1 19431377 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338.791 1.896 0 40 EDAB CC(C)N1CCC(NC(=O)CN2CCOc3ccccc3C2)CC1 89870052 WLMVWZSFSBOJLN-UHFFFAOYSA-N 331.460 1.870 0 40 EDAB CCOC(=O)[C@@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C1CC1 71893587 UXFGZZVORHFEEB-AWEZNQCLSA-N 338.448 1.729 0 40 EDAB NC(=O)COc1ccc(/C=C/C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 71821204 CKUYWAJVXHLDSU-JSMQFAGNSA-N 344.411 1.734 0 40 EDAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1nccn1C 72275875 HLJAGWVOIJVJHU-ZIAGYGMSSA-N 329.356 1.432 0 40 EDAB CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C[C@H]1CCCCO1 97013998 JALPKHIKGFWGQB-OLZOCXBDSA-N 342.465 1.725 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CC2 97199046 BPNSQSVMHXPRDR-KGLIPLIRSA-N 339.399 1.071 0 40 EDAB O=C(NCC(=O)N1CCOCC12CCC2)c1cc2c(s1)CCC2 97162762 SYDLSFSPRMEVTA-UHFFFAOYSA-N 334.441 1.748 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCCC2)o1 95459456 QHDQSWORSSXFDU-CYBMUJFWSA-N 326.418 1.754 0 40 EDAB C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)S(=O)(=O)c1ncc[nH]1 95425632 WSENXTRNRNJSPS-NEPJUHHUSA-N 333.413 1.940 0 40 EDAB CC(C)C(=O)NCCCNC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 95440287 IXUMCYZMIOAOPL-CABCVRRESA-N 335.452 1.828 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H]3c3noc(C)n3)nc2n1 76043109 BRLCXXBHJMBOIV-NSHDSACASA-N 327.348 1.410 0 40 EDAB C[C@H](Sc1ccccn1)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 84976922 DNSNAZVKZQRRQS-JKSUJKDBSA-N 348.516 1.801 0 40 EDAB NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc(F)nc2)C1 95962895 MGVKQJKQHFBUSJ-GFCCVEGCSA-N 328.347 1.328 0 40 EDAB COC(=O)c1cccc2[nH]/c(=N\C(=O)[C@H]3COc4ccccc43)[nH]c12 89406973 UUZCHSUNTXLYSB-LBPRGKRZSA-N 337.335 1.886 0 40 EDAB COCCNC(=O)c1cc(S(=O)(=O)NCCC(C)C)ccc1C 408601072 FASNBIAKYMFZPG-UHFFFAOYSA-N 342.461 1.696 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)N1CCC(c2cncn2C)CC1 1548453712 PHGXXWKHGVKKQZ-CYBMUJFWSA-N 333.436 1.320 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CC)cc1C 408611402 WDADSLOYTJFQTO-QWHCGFSZSA-N 342.461 1.975 0 40 EDAB CC(C)c1ncc2c(n1)C1(CCN(C(=O)C3CC3)CC1)CN(C)C2=O 306139043 SNTZZMIUJARLDW-UHFFFAOYSA-N 342.443 1.956 0 40 EDAB O=C(C[C@H]1NC(=O)c2ccccc21)NCc1cccnc1-n1ccnc1 67514009 WHFWBZMEOLAQOA-MRXNPFEDSA-N 347.378 1.758 0 40 EDAB O=C(O)CCNC(=O)Cn1ccc2ccc(Br)cc21 36354848 APVHBCXTBJYUBV-UHFFFAOYSA-N 325.162 1.995 0 40 EDAB CN(C)CCNC(=O)CCc1nc2ncc(Br)cc2[nH]1 79487686 MRRQLEOEWSALQR-UHFFFAOYSA-N 340.225 1.331 0 40 EDAB Cc1noc(-c2ccc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc2)n1 32905845 SIJRAPSLWYZJGW-HNNXBMFYSA-N 335.385 1.352 0 40 EDAB CN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 72241659 LKUAQDWARACAMO-IRXDYDNUSA-N 346.358 1.976 0 40 EDAB CN1CCN(C(=O)[C@H]2CCCN(c3ncc(Cl)cc3F)C2)CC1 79298906 ZIOWUTVBJYDFSL-LBPRGKRZSA-N 340.830 1.865 0 40 EDAB CN1CCN(C(=O)c2ccc(Cl)cc2)C[C@](O)(Cn2cccn2)C1 72354434 MYQXRRKSQKXQHJ-KRWDZBQOSA-N 348.834 1.355 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1 72243313 IVMILKZNEMYHIN-UHFFFAOYSA-N 334.397 1.664 0 40 EDAB O=S(=O)(c1ccccc1Br)N1CCCn2ncnc21 78556763 BVQIDNLVBYCMJE-UHFFFAOYSA-N 343.206 1.640 0 40 EDAB CCc1noc([C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1 41122297 QMVQZPFBVULMDV-LLVKDONJSA-N 340.405 1.805 0 40 EDAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)n1 227161745 UTCIHXZCTVJKCY-UHFFFAOYSA-N 333.369 1.546 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](C)Oc2ccn(-c3ccccc3)n2)CC1 226852722 HNOFVOSYVYUARC-AWEZNQCLSA-N 342.399 1.330 0 40 EDAB O=C(O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1 225130038 JXKCVCOKNIPHFH-UHFFFAOYSA-N 341.366 1.757 0 40 EDAB O=C(NCc1ccnc(N2CCCC2)c1)[C@@H]1CCc2[nH]cnc2C1 225512483 ORXVBABOFFEATG-CQSZACIVSA-N 325.416 1.826 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 44394346 BXJPITATAAPAOF-UHFFFAOYSA-N 346.818 1.554 0 40 EDAB CN(C(=O)CN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccccc1 81097859 KGRVCKKAWRHKFP-HOTGVXAUSA-N 338.473 1.937 0 40 EDAB CCOCCCNC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 225156240 NYPCGDYJCFIRGF-UHFFFAOYSA-N 342.461 1.299 0 40 EDAB COC(=O)C[C@@H](NC(=O)c1cc(Br)cn1C)C1CC1 84823119 BSSKYSHGFJAPHR-SNVBAGLBSA-N 329.194 1.859 0 40 EDAB CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCc1ccncc1)CS2 85473894 LNILQIHYXMPSIT-CYBMUJFWSA-N 344.440 1.547 0 40 EDAB C[C@@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2ccncc2F)CC1 96449538 UEYIWRHYUJURHY-AWEZNQCLSA-N 348.422 1.380 0 40 EDAB O=C(c1cccc(F)c1)N1C[C@@H]2OCCN(C[C@H]3CCCO3)[C@@H]2C1 96246502 UENUJCOURGDOIU-ZACQAIPSSA-N 334.391 1.530 0 40 EDAB COc1ncccc1CN1C[C@H]2C[C@@H](C(=O)NCC3CC3)N(C)[C@H]2C1 96185743 ZRJMJTKQZTUEPG-IKGGRYGDSA-N 344.459 1.121 0 40 EDAB Cc1nn(C)cc1C(=O)OC[C@H]1CC(=O)N(CCc2ccccc2)C1 96456866 BVJXXIWXKBBDQI-INIZCTEOSA-N 341.411 1.977 0 40 EDAB CS(=O)(=O)N1Cc2cnn(CC3CC3)c2[C@@H](COCC2CC2)C1 96198428 YUPNXDNMLHGRBY-OAHLLOKOSA-N 339.461 1.579 0 40 EDAB Cn1cc(CN2CC[C@H]3[C@H](Cc4nnc(C5CC5)o4)OC[C@H]3C2)cn1 96208602 ASGVIEUPAIRIMO-OAGGEKHMSA-N 343.431 1.760 0 40 EDAB O=C(c1cc(F)ccc1-n1cnnn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 95480409 RJWQAWNDZDVINI-PXAZEXFGSA-N 345.378 1.569 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 96250587 IAZOTUJJYSJQOZ-NUEKZKHPSA-N 340.383 1.570 0 40 EDAB COCCN1CC2(CCN(Cc3cc(C)on3)CC2)C[C@@H]1COC 96208488 BEULSADPWJXPQO-QGZVFWFLSA-N 337.464 1.932 0 40 EDAB CN(Cc1ccco1)[C@@H]1CN(Cc2cnn(C)c2)[C@@H]2CCCO[C@H]12 96185969 VDGYXKKKAWKGLQ-KURKYZTESA-N 330.432 1.877 0 40 EDAB Cn1cc(CN2CCO[C@]3(CCCN(c4ncc(F)cn4)C3)C2)cn1 96226570 RUBQNXTTWAPDDC-QGZVFWFLSA-N 346.410 1.221 0 40 EDAB Cc1ccc(N[C@@H]2CN(c3ncccn3)C[C@@H]3CCCO[C@@H]32)nn1 96065197 GEJBKHZYOWWUCN-LZWOXQAQSA-N 326.404 1.671 0 40 EDAB Cn1c(CC(F)(F)F)nnc1N1CC[C@@H](Oc2ccccn2)C1 580645892 BKVCYPMJKYLIAL-SNVBAGLBSA-N 327.310 1.973 0 40 EDAB CCN1CCN(C(=O)[C@@H](C)c2cccnc2)C[C@@H]1c1nccn1C 583621475 QTFWMFMPGHLSII-GOEBONIOSA-N 327.432 1.824 0 40 EDAB CCOCC(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1csc(C)n1 96041767 YWISCFVKDAAVBN-SQWLQELKSA-N 340.445 1.763 0 40 EDAB COc1cccc(N2CC[C@@H](CNC(=O)N3CCO[C@H](C)C3)C2)c1 96403173 UGSWJQSZPMNVNA-CABCVRRESA-N 333.432 1.952 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 247857387 LAJQYPPLZYQCJK-CYBMUJFWSA-N 344.346 1.463 0 40 EDAB CC[C@H](CN1CCCCC1)NC(=O)CC1=NNC(=O)[C@@H]2C=CC=C[C@@H]12 248253902 UAKPYRQPXYEEHT-BZUAXINKSA-N 344.459 1.601 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@H](CCc2ccncn2)C1 257280500 OLCVKSJCYRSRCK-GFCCVEGCSA-N 333.417 1.364 0 40 EDAB Cc1ncc(-c2cccc(C3CCN(S(C)(=O)=O)CC3)n2)n1C 257318622 VOSSCUUKPNUYOP-UHFFFAOYSA-N 334.445 1.930 0 40 EDAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)Cn2cccn2)nc1 257278865 ODYURWPBGMQHON-INIZCTEOSA-N 327.388 1.278 0 40 EDAB COc1cccc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)c1 257228980 FWBQQPQRBZCIDQ-BRWVUGGUSA-N 334.416 1.039 0 40 EDAB O=S(=O)(O)c1ccc(-c2cc3c(cc2O)S(=O)(=O)CO3)cc1 255189525 QJWSGYZKNGWZHI-UHFFFAOYSA-N 342.350 1.430 0 40 EDAB CN1CCN(C(=O)CCCN2CCCC2=O)C[C@@H]1c1ccccc1 257301743 RZUFISBRTHZOSJ-QGZVFWFLSA-N 329.444 1.904 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCO[C@@H](c3ccncc3)C2)ccn1 257239352 HOXYMVPBGQPOJV-OAHLLOKOSA-N 326.356 1.649 0 40 EDAB O=C(NCc1ccc(CO)cc1)[C@@H]1CN(c2ccc(F)cc2)CCN1 257284901 PETWIRQQWOIAQT-SFHVURJKSA-N 343.402 1.413 0 40 EDAB O=C(N[C@H]1CCOC[C@@H]1N1CCCC1)c1ccc(OC(F)F)cn1 1616032439 OLOUUPMBQQQJRZ-JSGCOSHPSA-N 341.358 1.666 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)N2CCc3c(F)cc(F)cc32)cc1 390833492 IDSFJGBMTFENSH-UHFFFAOYSA-N 338.335 1.815 0 40 EDAB O=C(NCC(=O)N1CC[C@H](OCC2CC2)C1)OCc1ccccc1 390829802 GSHYWMYRBJZATE-INIZCTEOSA-N 332.400 1.940 0 40 EDAB CSCC(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CS2)C1 575406497 XXPAHQKDZZOCDK-LBPRGKRZSA-N 344.502 1.075 0 40 EDAB O=C(NC1CCC1)[C@@H]1C[C@@]12CCN(C(=O)CCc1cncnc1)C2 585101514 KXINATOMIAUVSG-MAUKXSAKSA-N 328.416 1.317 0 40 EDAB Cc1cccc(OC[C@]2(O)CCCN(C(=O)Cc3cnc[nH]3)C2)c1 585275432 CCUWGOIHMIVEML-SFHVURJKSA-N 329.400 1.693 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)Cc1cc(C)ccc1OC 585277216 GZWVODWTXKEEDU-SFHVURJKSA-N 334.416 1.429 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)CC[C@@H]1CC1(Cl)Cl 585141843 GPUQUNNROXGFGC-SECBINFHSA-N 331.265 1.358 0 40 EDAB OCCN(CCO)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O 585289295 HQRDRNYHLBUFAR-ARFHVFGLSA-N 329.824 1.287 0 40 EDAB Cn1cnc2c1[C@@H](C(=O)N1CC(F)(F)C1)CN(Cc1ccoc1)C2 585110843 OYIAJCSLDYJGMY-LBPRGKRZSA-N 336.342 1.590 0 40 EDAB CN1C[C@H](COCc2ccncc2)CC12CN(Cc1cn[nH]c1)C2 585093819 HOOAWFIUEDXYEO-MRXNPFEDSA-N 327.432 1.528 0 40 EDAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(Cc1nonc1C)CC2 737906214 XZCLJYHTZHDMDT-AWEZNQCLSA-N 347.371 1.969 0 40 EDAB O=C(O)COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]3C[C@@H]32)cc1F 926556558 WUWRRAISXPZRQG-XHVZSJERSA-N 343.376 1.756 0 40 EDAB Cc1csc(N2CCN(CC(=O)Nc3ccnn3C(C)C)CC2)n1 47890915 AAFQANDPFOUEPE-UHFFFAOYSA-N 348.476 1.990 0 40 EDAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)OCc3ccno3)cc2)C1 64969028 IGDHOCRAUMTTES-ZDUSSCGKSA-N 329.356 1.733 0 40 EDAB Cc1nc(C(=O)N(C)CC(=O)NC2CC2)nn1-c1ccccc1Cl 63902538 FLSHPPBXUILZMP-UHFFFAOYSA-N 347.806 1.580 0 40 EDAB Cn1ccnc1[C@H]1CCN(C(=O)c2ccn(CC(F)(F)F)n2)C1 1615590730 PQQJRIBKYXXRAA-JTQLQIEISA-N 327.310 1.809 0 40 EDAB COC(=O)C[C@H]1CN(c2ccc(Br)c(C)n2)CCO1 225575372 JXQZRHHDUPABBE-JTQLQIEISA-N 329.194 1.921 0 40 EDAB O=C(COC(=O)CN1CCSC1=O)N[C@H]1CCCc2ccccc21 5322700 CKZXTWOZATUVJV-AWEZNQCLSA-N 348.424 1.892 0 40 EDAB O=c1n(Cc2ccccc2F)nc2n1-c1ccccc1C1=NCCN12 12184153 SAJKFKQUDCHWEA-UHFFFAOYSA-N 335.342 1.802 0 40 EDAB Cc1nc(C)c(C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)o1 12234978 WOOJNQPOBABUKL-UHFFFAOYSA-N 343.387 1.117 0 40 EDAB COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(C)C1 12530077 YLIHGKMRLWGOSF-KBPBESRZSA-N 330.388 1.635 0 40 EDAB biogenic,in-vitro O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NOCc1ccccc1 14601520 STKSMOOLXKQMJP-XRGAULLZSA-N 326.352 1.042 0 40 EDAB O=C1CN(C(=O)CCn2c(C(F)(F)F)cc3cccnc32)CCN1 19347152 JMMHUXRUQBZKAV-UHFFFAOYSA-N 340.305 1.404 0 40 EDAB O=C(CC1CCCC1)NCCn1nc([C@H]2CCNC2)c2nccnc21 19404466 QZQNEFZGXXQNGP-AWEZNQCLSA-N 342.447 1.600 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC)(C(=O)OC)N[C@H]2c1ccccc1F 19500783 XVWSLVWCEQQYGW-MOROJQBDSA-N 348.374 1.413 0 40 EDAB CCc1ccccc1NC(=O)C(=O)NCC1CCN(CCOC)CC1 23127354 LGBNPFIFGYWCQE-UHFFFAOYSA-N 347.459 1.662 0 40 EDAB O=C(COC(=O)c1ccccc1Br)NC[C@H]1CCCO1 3237874 GJBWQMIHTOXORA-SNVBAGLBSA-N 342.189 1.901 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2ccc(CO)cc2)C1 6085775 GFWXSTDNCKOELF-HNNXBMFYSA-N 349.383 1.137 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 6231597 SMWFANITYGBCEJ-MRXNPFEDSA-N 335.429 1.700 0 40 EDAB O=C1[C@@H]2CN(c3ncnc4cnccc34)C[C@@H]2C(=O)N1c1ccccc1 1888890973 BRFCYMBSAAGJQQ-GASCZTMLSA-N 345.362 1.651 0 40 EDAB O=C(NCc1csc2ncnn12)c1ccc2nnc(C3CC3)n2n1 1889214339 FNWFEWNPHAKSIH-UHFFFAOYSA-N 340.372 1.036 0 40 EDAB FC(F)(F)c1ccnc(OC2CCN(CCn3ccnn3)CC2)n1 1776009877 WBWUAQYWWUETBC-UHFFFAOYSA-N 342.325 1.630 0 40 EDAB O=C(NC[C@H](O)c1ccccn1)c1ccnc(OC2CCOCC2)c1 240122626 WECPDATYTXUVAG-INIZCTEOSA-N 343.383 1.498 0 40 EDAB CC(=O)c1cc(C(=O)N2CC3(C2)CN(C(C)C)c2nccnc23)n[nH]1 1565556031 UYDGNIIIJGAICW-UHFFFAOYSA-N 340.387 1.025 0 40 EDAB Cc1cc(-c2nnc(NC(=O)c3ccc4c(c3)OCO4)o2)nn1C 12443155 WSCWCGFCFRNOLK-UHFFFAOYSA-N 327.300 1.760 0 40 EDAB CCn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C 16839496 PPEJITATXXWKHC-UHFFFAOYSA-N 334.376 1.875 0 40 EDAB COCCCNC(=O)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055717893 BIIAGJFEHYCLSL-ZDUSSCGKSA-N 348.447 1.271 0 40 EDAB CCn1cc(CN2CCCn3cnc(Cn4nncc4C)c3C2)cn1 2055714863 VSQKDUWOOHHUMG-UHFFFAOYSA-N 340.435 1.454 0 40 EDAB O=C(c1cccc(Cl)n1)N1CC[C@@]2(C[C@H](n3cnnc3)CO2)C1 2055837461 DIQKFIJWUDRBMR-XHDPSFHLSA-N 333.779 1.573 0 40 EDAB CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(OC)c2)c(C)n1 1775967125 GOHRYTIRHBYVNM-UHFFFAOYSA-N 331.372 1.770 0 40 EDAB O=C(NCCNc1cnccn1)c1ccccc1OC[C@H]1CCCO1 31599070 NQPRQYWBILPYRS-CQSZACIVSA-N 342.399 1.876 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCCN2CCC[C@@H](C)C2)c1 40528138 QAKNUXSAOAYHAF-CYBMUJFWSA-N 342.461 1.714 0 40 EDAB CCN(CC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc2c(c1)OCO2 40528246 ZBGZJDLTEPSVIP-CQSZACIVSA-N 347.415 1.022 0 40 EDAB O=C(CCCc1nc(-c2ccccc2)no1)N[C@H]1CCCCNC1=O 40521730 UPHRLEGNRFYAFY-AWEZNQCLSA-N 342.399 1.844 0 40 EDAB COC(=O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)ccc1Cl 100179185 TUVAKQNFJQZMQW-CYDGBPFRSA-N 333.727 1.569 0 40 EDAB CC1(C)NC(=O)N(CCCN2CCN(Cc3ccco3)CC2)C1=O 52282158 VXJCOOSZGSWDPO-UHFFFAOYSA-N 334.420 1.118 0 40 EDAB CCN(CC)S(=O)(=O)NCCOc1cccc2c1OC(C)(C)C2 32825819 AUIITPZAZURNPS-UHFFFAOYSA-N 342.461 1.955 0 40 EDAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 52659879 CGZWNQZTKJOLST-CJNGLKHVSA-N 349.406 1.476 0 40 EDAB COc1ccc2[nH]c3c(=O)n(CCN4CCCC4=O)cnc3c2c1 525763 CTIXBDLPEWAFJB-UHFFFAOYSA-N 326.356 1.509 0 40 EDAB biogenic Cc1cccc(N2N=C(C(=O)NCCCn3cncn3)CCC2=O)c1 41862395 CVLGAUGBFDESOO-UHFFFAOYSA-N 340.387 1.276 0 40 EDAB Cc1ncc(CN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)s1 46771397 OWIUANALXKHFAX-UHFFFAOYSA-N 331.463 1.082 0 40 EDAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)OC[C@@H]3CCCO3)cc2)C1 53706637 XOWAPIPJIOMBNX-HOCLYGCPSA-N 332.400 1.724 0 40 EDAB CC(C)n1nnnc1S[C@H](C)C(=O)NC(=O)NCc1ccccc1 8735553 FJOZAPHMIDUZAZ-LLVKDONJSA-N 348.432 1.761 0 40 EDAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccccc1F 101963789 GXGFXPWIXGOCLF-XJIUQZFPSA-N 338.331 1.212 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)Cc1ccc(N2CCCC2=O)cc1 42532984 TYVZAJAYCONTQE-CQSZACIVSA-N 326.400 1.757 0 40 EDAB CC(C)(C)C(=O)N1CCC(C(=O)NCCNc2ncccn2)CC1 47104158 SVMNJTPPDTWROZ-UHFFFAOYSA-N 333.436 1.289 0 40 EDAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n(C)n1 54537809 DSYMSKBJHHAIPZ-UHFFFAOYSA-N 329.328 1.977 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3cc(C)no3)CC2)cc1OC 23741104 ZABXMSVNBMLIJT-UHFFFAOYSA-N 345.399 1.958 0 40 EDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 24051039 UQZGOCXFQFBDHI-RYUDHWBXSA-N 331.459 1.757 0 40 EDAB CCn1cnnc1CNS(=O)(=O)N1CCC[C@@H]1c1ccc(C)o1 83843668 VOXHNADBGXSOCZ-GFCCVEGCSA-N 339.421 1.371 0 40 EDAB O=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2ncccn2)CC1 26351439 HDWMXMBSAHHDIQ-UHFFFAOYSA-N 337.305 1.853 0 40 EDAB O=C(CN1CCC[C@H]1C(=O)O)Nc1ccc(Br)cn1 35303634 AEDLKWKPVJKUSJ-VIFPVBQESA-N 328.166 1.332 0 40 EDAB O=C1[C@H](N2CCC[C@H](N3CCNC3=O)C2)CCN1c1ccccc1F 71900514 LLWJIVZLHVCIQB-XJKSGUPXSA-N 346.406 1.421 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)no1 108525901 VXYNRRADXSNWLZ-IRXDYDNUSA-N 342.399 1.494 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 108060611 XHFSHZHNQHVJFC-XQLPTFJDSA-N 328.478 1.743 0 40 EDAB Cc1sc2ncnc(N3CCN(CC(=O)NC4CC4)CC3)c2c1C 57435049 JVEYVFNUIGMJSB-UHFFFAOYSA-N 345.472 1.709 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccn2)cc1C(N)=O 26755093 JKQRPFBKRDALIM-JTQLQIEISA-N 335.385 1.229 0 40 EDAB COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2CN(C)CCO2)c1 81008825 SILVYCZAIZSXJF-ZWKOTPCHSA-N 348.443 1.533 0 40 EDAB NC(=O)C1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1 10027467 KDPYRXYLEXHQBV-UHFFFAOYSA-N 328.412 1.862 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1F)N1CCN(C(=O)[C@H]2CCCO2)CC1 16378932 CYLCPMKFKXVQOS-XJKSGUPXSA-N 349.406 1.476 0 40 EDAB COC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 58133280 DPUFAUUFYQNUGI-GOEBONIOSA-N 344.411 1.984 0 40 EDAB O=c1cc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)[nH]c(=O)[nH]1 58279896 GNEXNFHKSPLMIU-ZDUSSCGKSA-N 329.356 1.172 0 40 EDAB C[C@H](NC(=O)C1=Cc2ccccc2OC1)C(=O)NCc1ccco1 58282325 XFDFGUQIMASWQF-LBPRGKRZSA-N 326.352 1.877 0 40 EDAB O=C(NCc1cc(-c2ccccc2)no1)NC[C@H]1CCS(=O)(=O)C1 44968240 ZEWYBAIWNQBMLS-GFCCVEGCSA-N 349.412 1.576 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H](C)[C@@H]2CCCO2)C1=O 27884161 OQYCQPGWFUCADD-YDHLFZDLSA-N 332.400 1.874 0 40 EDAB COc1ccccc1CNC(=O)Nc1ccc(S(C)(=O)=O)nc1 58329931 WMQGOFOHLKIKRO-UHFFFAOYSA-N 335.385 1.815 0 40 EDAB O=C(COC(=O)Cc1cccs1)NCc1ccc2c(c1)OCO2 3229216 ZZCPQBIAHLUZGT-UHFFFAOYSA-N 333.365 1.879 0 40 EDAB COc1ccc(-n2cccn2)cc1S(=O)(=O)NCc1cccnc1 36358188 SHCHFBDINQVYMU-UHFFFAOYSA-N 344.396 1.754 0 40 EDAB COc1ncccc1NC(=O)Cn1cc(Br)ccc1=O 48274160 RIFLHKAGMBCDPJ-UHFFFAOYSA-N 338.161 1.653 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN(C(C)=O)C1)CC2 12925943 UKGJZRHYPQETPA-HNNXBMFYSA-N 346.427 1.847 0 40 EDAB CSc1cccc(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)c1 3567689 IKDDSGODIABAQR-UHFFFAOYSA-N 349.412 1.794 0 40 EDAB CC(C)Cn1c(-c2csnn2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 48876437 VGQFRIJVYACJFF-UHFFFAOYSA-N 348.432 1.717 0 40 EDAB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 8118374 SIBDDIMFPLTNDG-XJKSGUPXSA-N 336.457 1.079 0 40 EDAB O=C(NC1CCCC1)c1ccc(OCC(=O)N2CCNC2=O)cc1 69367382 HDFJJBZQXVCZCQ-UHFFFAOYSA-N 331.372 1.290 0 40 EDAB O=C(O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1 6339410 GDSJSRJKWNBJHQ-DLBZAZTESA-N 328.412 1.998 0 40 EDAB CCOc1ccccc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 69443941 RCNVKYNUGJISBT-MRXNPFEDSA-N 347.459 1.758 0 40 EDAB COC[C@@H](O)CN(C)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 65435092 SYYTUNYFBYWJNT-CJNGLKHVSA-N 332.404 1.582 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1cnc3c(cnn3C(C)C)c1)CC2 65463358 RMZVKKHQVUHHRY-CQSZACIVSA-N 339.403 1.657 0 40 EDAB NC(=O)[C@H](CNC(=O)c1cc(C2CC2)[nH]n1)Cc1ccc(F)cc1 65464176 CHCAOTDAIKJOOK-LBPRGKRZSA-N 330.363 1.500 0 40 EDAB Cc1cc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)no1 65492964 AUKLZDTZCFDZKG-UHFFFAOYSA-N 347.352 1.542 0 40 EDAB CNC(=O)[C@@H](NC(=O)c1ccc(C)[nH]c1=O)c1ccc(F)c(F)c1 65514160 CXDXSGIDDOSXCJ-ZDUSSCGKSA-N 335.310 1.179 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)Cc1ccc3c(c1)OCCO3)CC2 65548339 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1.624 0 40 EDAB O=C(NCCNc1ccc2ccccc2n1)NCCN1CCOCC1 69849187 VAZUDZZPCIYXJO-UHFFFAOYSA-N 343.431 1.278 0 40 EDAB Cn1cc(C(=O)N2CCC[C@H](NS(=O)(=O)c3ccccc3)C2)cn1 69875949 GZKFDNYDGNPXQH-AWEZNQCLSA-N 348.428 1.003 0 40 EDAB Cc1ccc(N2CCC[C@H](N[C@H](C(N)=O)c3ccc(F)cc3)C2)nn1 69846980 MECWRFLAQSCKTA-RDJZCZTQSA-N 343.406 1.709 0 40 EDAB O[C@@H](CN[C@@H]1CCc2ncnn2C1)c1ccc(C(F)(F)F)cc1 69875368 WGCJBACOZWSXIQ-OLZOCXBDSA-N 326.322 1.935 0 40 EDAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)on1 7226733 JUQBQDTVEVKBGV-NSHDSACASA-N 343.339 1.904 0 40 EDAB C[C@H](NC(=O)N1CCC(CO)CC1)C(=O)N1CCc2ccccc21 69847734 OVSKOVZMFPGSNE-ZDUSSCGKSA-N 331.416 1.378 0 40 EDAB O=C(C[C@@H]1C(=O)NCCN1C(=O)C1CC1)Nc1cccc(Cl)c1 9184028 NTCLWRLISRGWTF-CYBMUJFWSA-N 335.791 1.406 0 40 EDAB O=C(CCCOc1ccccc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269474 DIWFDQCHPYHNMR-QZTJIDSGSA-N 332.444 1.903 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)Cn2c(=O)oc3ccccc32)cn1 71797034 IXAWUXZZDROKJJ-CYBMUJFWSA-N 326.356 1.692 0 40 EDAB CN(C)C(=O)CNC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 72274182 GJCXQSBUPLWVQG-UHFFFAOYSA-N 332.448 1.381 0 40 EDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCc1ccccc1 9530775 QYRWSCKYMKWTOO-HNNXBMFYSA-N 341.367 1.797 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cnnn2-c2ccccc2Cl)CC1 71871419 FJWJCKREZRBADT-GFCCVEGCSA-N 349.822 1.059 0 40 EDAB O=C1NC(=O)[C@H](CC(=O)N2CCC(Cc3cccc(F)c3)CC2)N1 71821252 VOBDZRCPCGCJBJ-AWEZNQCLSA-N 333.363 1.205 0 40 EDAB CC(C)(C)OC(=O)N1CCc2ccc(NCC(=O)NC(N)=O)cc2C1 71896931 BAIVSURQSGSGSK-UHFFFAOYSA-N 348.403 1.587 0 40 EDAB CN1N=C(C(=O)Nc2nnc(Cc3ccccc3F)s2)CCC1=O 71888189 RPKOXAUZMBYWBJ-UHFFFAOYSA-N 347.375 1.815 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](NCc1nc(-c3ccccn3)no1)CC2 71877608 FJCXOHRBXGXYNE-GFCCVEGCSA-N 339.403 1.951 0 40 EDAB Cc1nccn1-c1ccc(F)cc1CNC(=O)c1ccc(=O)[nH]c1 71886023 UUXWAXCTXGLENH-UHFFFAOYSA-N 326.331 1.938 0 40 EDAB CC[C@](C)(NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)C(=O)OC 71849973 SYYNZARSQPGZSF-INIZCTEOSA-N 334.351 1.786 0 40 EDAB O=C(NC1CCN(C(=O)C2CC2)CC1)N[C@@H]1CCN(C2CCCC2)C1 71882541 GJMQGYMXWAEANB-MRXNPFEDSA-N 348.491 1.704 0 40 EDAB COC(=O)[C@@H]1CN(Cc2nnc(C3CC3)n2C)c2ccccc2O1 71896953 NUWTYJYRZQQVQU-AWEZNQCLSA-N 328.372 1.633 0 40 EDAB Nc1nc(SCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n[nH]1 71851881 QUZDPSKMHMPKMW-UHFFFAOYSA-N 340.372 1.101 0 40 EDAB CC(=O)N[C@H](C(=O)NCCCC(=O)N1Cc2ccccc2C1)C(C)C 71896806 AHHMMKNPFRFVFO-SFHVURJKSA-N 345.443 1.586 0 40 EDAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1 97096099 MYLNVKXYGMIJAA-WMZOPIPTSA-N 343.471 1.976 0 40 EDAB COc1cc(CN2CC[C@H](NCc3cnn(C)c3)C2)cc(OC)c1 84318532 VNOAWUGBWVGRCE-INIZCTEOSA-N 330.432 1.801 0 40 EDAB Cc1cc2c(cc1CN1CCC(C(=O)O)(n3ccnc3)CC1)OCO2 72407153 YHBLSTPWNRWSCI-UHFFFAOYSA-N 343.383 1.996 0 40 EDAB COc1cccc(CN(C)S(=O)(=O)N2CCCC[C@@H]2C(=O)O)c1 75572321 BGWOJYCTFDAZQH-CQSZACIVSA-N 342.417 1.311 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCc3nn(C(C)C)c(=O)cc3C2)on1 76064956 JYIVKTKPSOGPKT-GFCCVEGCSA-N 345.403 1.506 0 40 EDAB O=C(CN1CCC[C@H]1c1noc(C2CC2)n1)NCc1cccnc1 76047690 XMWZUVLZLGWSMZ-AWEZNQCLSA-N 327.388 1.795 0 40 EDAB O=C(OCc1ccc2nn[nH]c2c1)c1ccccc1Cn1cncn1 76090711 HDHITNIMHNCPOE-UHFFFAOYSA-N 334.339 1.955 0 40 EDAB O=C(CCCNC(=O)c1cc(F)c(F)c(F)c1)Nc1cn[nH]c1 95394927 NYFUZQWIBPPVMQ-UHFFFAOYSA-N 326.278 1.976 0 40 EDAB O=C(O)CNC(=O)c1cccc(NC(=O)c2n[nH]c3ccccc23)c1 95389903 LSSYRUGTXDJIMQ-UHFFFAOYSA-N 338.323 1.630 0 40 EDAB CCCCN(C)CC1CCN(CC(=O)NC2CCOCC2)CC1 76492121 DTSAXLBAXLTQFC-UHFFFAOYSA-N 325.497 1.726 0 40 EDAB COC(=O)[C@@H](O)CNC(=O)c1ccccc1OCc1c(C)noc1C 95448401 RBTZNAGUOHPMDI-AWEZNQCLSA-N 348.355 1.134 0 40 EDAB O=C(c1ccc(Br)o1)N1CCN(Cc2ccon2)CC1 77265383 RNSSFXPDQAUJJZ-UHFFFAOYSA-N 340.177 1.988 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)n2c(=O)oc3ccccc32)cn1 25008164 KHPHJPFHAVHDTK-NSHDSACASA-N 327.340 1.876 0 40 EDAB CC1(C2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)OCCO1 79073764 ZDEYFNWYOJGAAW-UHFFFAOYSA-N 346.427 1.347 0 40 EDAB NC(=O)c1ccc(NC(=O)c2cccc(-n3cccn3)n2)c(F)c1 75092466 IUMOQTHYDTYBRY-UHFFFAOYSA-N 325.303 1.758 0 40 EDAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccccc1-n1cnnn1 79490035 NTJOTBBXUQOWIZ-UHFFFAOYSA-N 347.382 1.901 0 40 EDAB NC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1 55382842 UYTWQDSNONPZGP-UHFFFAOYSA-N 338.411 1.546 0 40 EDAB Cc1cn2nc(N[C@@H]3CCN(C(=O)c4cnc(C)[nH]4)C3)ccc2n1 515885137 JIQNIEZXRRMADG-GFCCVEGCSA-N 325.376 1.396 0 40 EDAB CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N[C@H]1CCOC(C)(C)C1 521394394 SCHZIVYXGYTVTD-WCQYABFASA-N 332.466 1.167 0 40 EDAB CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(NC(N)=O)c1 78609933 WDDSVBCZAXRYHD-OAHLLOKOSA-N 346.431 1.975 0 40 EDAB O=C(NC[C@]1(O)CCCc2occc21)[C@H]1COc2ccccc2O1 1565523017 XJXPRGBJKAVCLD-SJLPKXTDSA-N 329.352 1.760 0 40 EDAB NC(=O)[C@H]1CCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)C1 79031204 ZCLOTJTUUAQJFC-HNNXBMFYSA-N 336.395 1.596 0 40 EDAB CC(C)n1ccc(CNC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)n1 565374355 VLPPZXVVSXNSBX-IBGZPJMESA-N 340.427 1.928 0 40 EDAB CC(C)N(C[C@@H]1CCCN1C(=O)CN)C(=O)OCc1ccccc1 79412455 XAQGHXVYRUHYOP-INIZCTEOSA-N 333.432 1.983 0 40 EDAB COc1ccc(CNC(=O)C2(n3cnnn3)CCCCC2)cc1OC 40284471 LDXDXMLWKIXLEG-UHFFFAOYSA-N 345.403 1.666 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 226687261 ZHFXMPAZSPXAEU-LBPRGKRZSA-N 326.418 1.375 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NC[C@H]1CCCN(c2ccccc2)C1 569134866 FDQBSHFVSOXMCJ-OAHLLOKOSA-N 348.472 1.923 0 40 EDAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C(=O)Nc1cnn(C)c1 134951233 KPHZDLYERJCWRC-SNVBAGLBSA-N 332.408 1.496 0 40 EDAB Cc1cc(CNC(=O)c2ccc(F)cc2)nc(N2CCOCC2)n1 224225422 BDYWZSAYJVEPGF-UHFFFAOYSA-N 330.363 1.691 0 40 EDAB Cc1cc(C(=O)N2CCn3c(Cn4cncn4)cnc3C2)c(C)o1 96201147 RUWPZEVADFWUMK-UHFFFAOYSA-N 326.360 1.389 0 40 EDAB CCOCC(=O)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 96188037 YDXFEMZBOXJEBZ-CQSZACIVSA-N 330.388 1.352 0 40 EDAB CC(C)n1cc([C@@]2(O)CCCN(Cc3cn(C(C)(C)C)nn3)C2)nn1 583617391 FCDRDFMIKAHKHX-QGZVFWFLSA-N 347.467 1.689 0 40 EDAB CN(C)CCOC[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)Cc2nnn(C)c21 96198538 CUAHIMKQAJDPGB-CABCVRRESA-N 347.463 1.175 0 40 EDAB O=C(NC1CCC1)C1=NO[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 96225562 ZNCYDDVBPAXFFG-KRWDZBQOSA-N 328.372 1.111 0 40 EDAB CCOCC(=O)N1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 96107317 WHJLSBDKTUGXBS-AEFFLSMTSA-N 334.416 1.785 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cc3cc(OC)ccc3o2)C1 96499952 RKOQPSYOAKTRQF-HNNXBMFYSA-N 338.429 1.955 0 40 EDAB Cc1nsc(N2CCN(c3ncc(Br)cn3)CC2)n1 96424103 FXBKNLSYCUKAJO-UHFFFAOYSA-N 341.238 1.726 0 40 EDAB O=C(O)c1nccnc1C(=O)N1CCN(c2ccccc2F)CC1 95215296 VKMYCIAABJGXHH-UHFFFAOYSA-N 330.319 1.276 0 40 EDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nccs1 96231412 AMTMILSYHCGDBY-NSHDSACASA-N 330.369 1.592 0 40 EDAB Cc1nn(C(C)C)c(C)c1NC(=O)CCNC(=O)c1ccnn1C 96193045 FHVLGYJXHBZVCA-UHFFFAOYSA-N 332.408 1.573 0 40 EDAB Cn1cc(CN2C[C@H](OCc3nc4ncccc4[nH]3)[C@H](F)C2)cn1 96112162 ZUVDNWKMVSLMOQ-OCCSQVGLSA-N 330.367 1.431 0 40 EDAB biogenic,in-vitro CC(C)N(C)C[C@H]1CO[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 96051997 DBNNYZRQMQWHPH-YJBOKZPZSA-N 336.432 1.868 0 40 EDAB Cn1cc(CNC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)cn1 96426283 TXXHSLIKXPIOLI-INIZCTEOSA-N 332.379 1.249 0 40 EDAB O=C(NC1CC1)N1CCC[C@]2(COCCN(c3ncc(F)cn3)C2)C1 96229214 RTUNEZVKULJZAG-QGZVFWFLSA-N 349.410 1.407 0 40 EDAB O=C(CCn1cncn1)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 96455996 BFGNJHZSXPLPNX-CYBMUJFWSA-N 333.779 1.243 0 40 EDAB C[C@@H]1CN(CCCNC(=O)c2cc3nc[nH]c3cc2F)CCCO1 581007862 HJSXDPUHRBLBMH-GFCCVEGCSA-N 334.395 1.933 0 40 EDAB Cc1cc(CNC(=O)c2cccc(F)c2)nc(N2CCOCC2)n1 96121283 BUHVBIOMQYMTQE-UHFFFAOYSA-N 330.363 1.691 0 40 EDAB CC(C)(C)[C@@H](CO)NC(=O)Nc1cccn(CC(F)(F)F)c1=O 97237281 SLIKHBXRDSNTMI-SNVBAGLBSA-N 335.326 1.939 0 40 EDAB Cc1cc2nc([C@@H]3CCCCN3S(=O)(=O)N(C)C)cc(O)n2n1 257202575 AMLKMBWYXHPJFY-LBPRGKRZSA-N 339.421 1.077 0 40 EDAB c1cnc(OCC[C@H]2CCOC3(C2)CN(C2CCOCC2)C3)nc1 253588661 MZYAIFWFNWXKRJ-HNNXBMFYSA-N 333.432 1.906 0 40 EDAB O=C(c1ccc2[nH]nnc2c1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257237809 HIGKTWBQSGHQJW-HZSPNIEDSA-N 349.398 1.711 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CCO2)ncn1 257329711 XLEDIGWDVQVXDP-GOSISDBHSA-N 346.475 1.677 0 40 EDAB Cn1cc(CCC(=O)N2CC[C@](C)(O)[C@@H](Oc3ccccc3)C2)cn1 257272805 NDYQZPSTJMCSIY-HKUYNNGSSA-N 343.427 1.784 0 40 EDAB O=S(=O)(NC[C@H](CO)Cc1cccnc1)c1cc(F)ccc1F 585114517 GXASCRYWRAQZLS-GFCCVEGCSA-N 342.367 1.489 0 40 EDAB NC(=O)[C@H]1CN(CCc2ccc(F)cc2)CCN(C2CCOCC2)C1 257309050 TZHZXICUKNIDLU-INIZCTEOSA-N 349.450 1.266 0 40 EDAB O=C(Cc1cccc(F)c1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257297424 RHEUBXYXXUIJIJ-HUUCEWRRSA-N 342.361 1.671 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)COc2ccc(F)cc2)CCO1 257302963 SFEGGUSKHHPKKT-AWEZNQCLSA-N 346.362 1.636 0 40 EDAB Cc1cc2nc(C3CCN(C(=O)[C@@H]4CC(=O)N(C)C4)CC3)ccn2n1 257300596 RUYYFQLVAFRTHI-CQSZACIVSA-N 341.415 1.222 0 40 EDAB CCn1cc(CN2CC[C@@H](c3[nH]ncc3C(=O)N(C)C)C2)c(C)n1 257204594 AVJODXKCJRPHTN-CYBMUJFWSA-N 330.436 1.626 0 40 EDAB O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCC[C@H]1c1ccn[nH]1 278537731 FPLBEQMZWWVBRJ-HIFRSBDPSA-N 328.372 1.950 0 40 EDAB Cc1cnc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)s1 575604977 JOZOWRQYZCYYDW-UHFFFAOYSA-N 341.400 1.502 0 40 EDAB CCn1ncc(NC(=O)CC[C@@]2(OC)CCCN(C(C)=O)C2)c1C 585280301 DUEPZTFNAREWKM-KRWDZBQOSA-N 336.436 1.958 0 40 EDAB COc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@@H]1CO 585098054 SRXBJFLKEMSKOK-CQSZACIVSA-N 331.372 1.064 0 40 EDAB C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)[C@H]1C[C@H]1C 585096281 FKAWGASJLNFMKQ-DYEKYZERSA-N 342.399 1.965 0 40 EDAB COc1ccc([C@H]2CNCCN2C(=O)c2ccc3nn[nH]c3c2)cc1 1333238408 XSFVIXXVLCUALF-QGZVFWFLSA-N 337.383 1.753 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCC2)o1 47932985 NCIXXNQBEDXYNW-UHFFFAOYSA-N 335.385 1.780 0 40 EDAB COC(=O)c1cccc(C(=O)NCCC(=O)Nc2ccccn2)c1 52970375 SAAGOLHCEBAPNI-UHFFFAOYSA-N 327.340 1.627 0 40 EDAB CN1CC(=O)N(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1=O 65440210 AUWMETOPSRXQQC-SECBINFHSA-N 333.171 1.627 0 40 EDAB CCOc1ncccc1CNC(=O)C[C@@H](NC(N)=O)c1ccccc1 65437604 UKRUHWDQNASACQ-OAHLLOKOSA-N 342.399 1.896 0 40 EDAB CCCNC(=O)[C@@H](C)SCc1ccc(S(=O)(=O)N(C)C)o1 69490904 NFZCAAWVGBMLJJ-SNVBAGLBSA-N 334.463 1.678 0 40 EDAB COc1cccc2c1OC[C@H](NC(=O)NC1CCN(C3CC3)CC1)C2 69598661 SUFDZPVJRTYBSV-OAHLLOKOSA-N 345.443 1.925 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCCCNC1=O 67162585 KVPFMTUHEDJTBZ-OLZOCXBDSA-N 339.436 1.561 0 40 EDAB CN(C)C(=O)CN1CCC[C@@H](Cc2ccc(N3CCCC3)nn2)C1 72387300 LFKCXQFMNSNMSG-HNNXBMFYSA-N 331.464 1.420 0 40 EDAB Cc1cc([C@H](O)CCNS(=O)(=O)c2c(C)nn(C)c2C)c(C)o1 96026068 FRYCEXRLMDNBSM-CQSZACIVSA-N 341.433 1.649 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCC(N2CCC[C@H]2CO)CC1 96099741 XOXNBNBFFDBNBK-AWEZNQCLSA-N 342.436 1.436 0 40 EDAB Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1Cc3cncnc3C1)CS2 96369945 CXSKBMBWEHBZBF-LBPRGKRZSA-N 343.412 1.229 0 40 EDAB Cn1cc(Br)cc1C(=O)NCC[C@@H](O)C(F)(F)F 95403584 KECWRSCOFKCDAG-MRVPVSSYSA-N 329.116 1.831 0 40 EDAB NC(=O)c1nc(-c2ccccc2)nc2c1[nH]c(=O)n2Cc1ccccc1 12114163 CUHIFNNTZIYRKV-UHFFFAOYSA-N 345.362 1.934 0 40 EDAB O=C1CC[C@H](c2nc(C3CCN(Cc4ccccn4)CC3)no2)N1 12337308 NCBWSCXUBBIKFU-CQSZACIVSA-N 327.388 1.795 0 40 EDAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCCC(C)C 13582966 DQKRMZBCRJCDPY-UHFFFAOYSA-N 328.434 1.867 0 40 EDAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CCS(=O)(=O)C1 15335161 OVZSFTONBWQGCO-WFASDCNBSA-N 333.409 1.910 0 40 EDAB CCOc1ccccc1-n1nnc(C(=O)NCc2nonc2C)c1C 19520231 YJPRWBVJMDENCW-UHFFFAOYSA-N 342.359 1.596 0 40 EDAB COCC(=O)N1CC[C@@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 19592714 IJCQRHGVBQRNTH-GFCCVEGCSA-N 328.372 1.132 0 40 EDAB COCCC(=O)N1CCC(c2nc(O)cc([C@@H]3CCCNC3)n2)CC1 19593109 RMOVZMBFPGBPKJ-CQSZACIVSA-N 348.447 1.392 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)COc2ccc(CC)cc2)CC1 19809495 WZCSXHKMKAARFQ-MRXNPFEDSA-N 336.432 1.763 0 40 EDAB Cc1ccc(O[C@@H]2CC[C@H](CNCC3(O)CCOCC3)[C@H]2O)cc1 643585458 MOJGFONYCBDAOL-KBAYOESNSA-N 335.444 1.644 0 40 EDAB Cc1cc(C(=O)NC2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)o1 575614907 AFCGMNDUSUTQQN-AWEZNQCLSA-N 340.445 1.278 0 40 EDAB CNC(=O)C1CCN(CC(=O)N2c3ccccc3CC[C@H]2C)CC1 12334804 VTQLHRBXKIXMIE-CQSZACIVSA-N 329.444 1.812 0 40 EDAB O=C([C@H]1CN(c2ncnc3c2CCCC3)CCO1)N1CCCCC1 1888834315 BDCZIDPEUVXTPA-MRXNPFEDSA-N 330.432 1.573 0 40 EDAB CCc1ncnc(N2CCCN(c3ncnc4[nH]cnc34)CC2)c1F 1888897984 RCCVLRODHTYWSZ-UHFFFAOYSA-N 342.382 1.561 0 40 EDAB O=C([C@@H]1CN(c2ccnc3ccsc23)CCO1)N1CCOCC1 1889114100 GRYUZKNVARTWMC-AWEZNQCLSA-N 333.413 1.360 0 40 EDAB Cc1nnc(COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)o1 39655366 RKNLBUZCDOKXSF-CQSZACIVSA-N 343.339 1.742 0 40 EDAB C[C@@H]1C[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br 32382854 JVEQREPKTZFNIA-HTQZYQBOSA-N 347.234 1.482 0 40 EDAB Cn1cc(C(=O)NC[C@@](O)(c2ccsc2)c2cccs2)nn1 239808107 KHQCOLFDVOFDQQ-CQSZACIVSA-N 334.426 1.604 0 40 EDAB CCCCc1nnc(NC(=O)c2cc(N3CCOCC3)ncn2)s1 245053399 OSHCGXLIMKMWRV-UHFFFAOYSA-N 348.432 1.760 0 40 EDAB O=C(CC1(O)CCC1)N1CCC2(CC1)CCN(c1cncnc1)C2=O 1565544988 BIICQGUSMRWPRE-UHFFFAOYSA-N 344.415 1.127 0 40 EDAB CC(C)(C)NC(=O)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 9040617 FGDRWIZMSOUSLJ-LLVKDONJSA-N 333.388 1.866 0 40 EDAB O=C(c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2)N1CC(F)C1 2055713695 ZJGJWGYYXFGUFC-LBPRGKRZSA-N 334.395 1.252 0 40 EDAB CC(C)CCNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713567 IBOCLKXLNQXDMQ-AWEZNQCLSA-N 332.448 1.844 0 40 EDAB O=C(c1cnn[nH]1)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775965667 IUJUJICIKDKUPZ-UHFFFAOYSA-N 328.376 1.403 0 40 EDAB O=C(CNC(=O)c1ccc(=O)[nH]c1)Nc1nc(-c2ccco2)cs1 42384770 SKNWBSXYLOWSCZ-UHFFFAOYSA-N 344.352 1.460 0 40 EDAB COc1ccc(CCC(=O)NCc2cn(-c3cccnc3)nn2)cc1 575414502 ULYVQXJMBFNOCG-UHFFFAOYSA-N 337.383 1.920 0 40 EDAB CC(C)(C)C(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147647 MGGWGYYNTHJTBQ-UHFFFAOYSA-N 337.445 1.883 0 40 EDAB O=c1cc2c(nn1CC1CCN([C@H]3CCCC[C@H]3O)CC1)CCC2 585501993 GVJUPFAHZSOQCF-ZWKOTPCHSA-N 331.460 1.748 0 40 EDAB CCOc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1 9691628 DFVBYEBZPWFEJM-UHFFFAOYSA-N 330.388 1.809 0 40 EDAB COc1ccc(-c2ccc(=O)n(CC3(O)C[C@@H]4CC[C@H](C3)N4)n2)cc1 12328958 SGVXZVMFSRFPEU-RTHVDDQRSA-N 341.411 1.564 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc21)N1CCN(C2CCCC2)CC1 76843813 ORRCUNQDWXOWNR-UHFFFAOYSA-N 328.416 1.416 0 40 EDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(C(C)=O)c[nH]1 11007578 DOZSNOAQNJFNTN-UHFFFAOYSA-N 349.412 1.197 0 40 EDAB NC(=O)c1cccc(NC(=O)Cc2cc(F)cc3c2OCOC3)c1 8328664 XTVNNXNHQKDOGQ-UHFFFAOYSA-N 330.315 1.972 0 40 EDAB CN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 36724988 ROUZVCHVRJKTLA-GFCCVEGCSA-N 346.399 1.595 0 40 EDAB CC(C)[C@@H](C(=O)N1CCN(C)CC1)N1C(=O)c2ccccc2C1=O 20468365 FFQPWTBSVMAPGU-HNNXBMFYSA-N 329.400 1.081 0 40 EDAB CCCC(=O)NC1CCN(Cc2nnnn2-c2ccccc2)CC1 40540183 ZMGDBPKPISTNNI-UHFFFAOYSA-N 328.420 1.543 0 40 EDAB Nc1nccnc1C(=O)NCc1ccnc(OCC(F)(F)F)c1 40525179 BMHXGNZECFLXDM-UHFFFAOYSA-N 327.266 1.325 0 40 EDAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101148417 VXSGAVQXYGMXPD-UQXKVLDMSA-N 328.343 1.960 0 40 EDAB CC1(C)[C@H]2CC=C(CN3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)O)[C@@H]5C3=O)[C@@H]1C2 3881885 KFWIQRFOCDYDRG-KIVXNUBRSA-N 329.396 1.845 0 40 EDAB biogenic CCc1cc(NCc2ccc(N3CCOCC3)nc2)n2ncnc2n1 51593579 BMFYQRAJAOQWBX-UHFFFAOYSA-N 339.403 1.530 0 40 EDAB O=C(CN1CCCSc2ccccc21)N[C@@H]1CCCCNC1=O 51655626 DTKYZDGGKYXSNF-CYBMUJFWSA-N 333.457 1.774 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)cnc3ccccc32)C1 20902576 BGZZZKBRDRXRRW-CYBMUJFWSA-N 343.383 1.198 0 40 EDAB COc1ccnc(N2CCN(c3ncnc4ccsc34)CC2)n1 108852022 JEHDPGQOCMDXHT-UHFFFAOYSA-N 328.401 1.817 0 40 EDAB Cc1ccc(C)c(N2N=C(C(=O)N3CCN(C)CC3)CCC2=O)c1 50079644 ZAMGSMXESJLBSV-UHFFFAOYSA-N 328.416 1.560 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)on1 46178475 PBRMTKXBVDPRDU-UHFFFAOYSA-N 329.404 1.402 0 40 EDAB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc21 21715179 RPZFHMAZQGIYEO-NSHDSACASA-N 338.429 1.398 0 40 EDAB CCc1noc(CN(C)c2cc(C(F)(F)F)nc3ncnn23)n1 71908229 DMTBIRMEWDSBCY-UHFFFAOYSA-N 327.270 1.725 0 40 EDAB Cc1cnc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 2658950 SYUJZRGIVGHXLO-UHFFFAOYSA-N 325.415 1.954 0 40 EDAB Cc1ccc(C)c(N2N=C(C(=O)NC[C@H]3CCOC3)CCC2=O)c1 41377953 KTQYUCQPEFHBHU-CQSZACIVSA-N 329.400 1.939 0 40 EDAB CN(C)C(=O)c1cccc(CN2Cc3ccccc3C[C@H]2C(N)=O)c1 60465202 QLHRNIUUVZSHFM-SFHVURJKSA-N 337.423 1.801 0 40 EDAB C[C@@H](C(=O)Nc1nccs1)N1CCC[C@H](C(=O)NCC2CC2)C1 52931348 BVKLTSWOUJXMFB-AAEUAGOBSA-N 336.461 1.708 0 40 EDAB CC(C)(C(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 103067136 ZFIFXGREKLXJCX-UHFFFAOYSA-N 342.436 1.644 0 40 EDAB O=C(c1ccno1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108536287 ULHFJDCMOPXNFP-CYBMUJFWSA-N 343.387 1.731 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)/C=C(\C)c1cccc(F)c1 104124457 HGCZEYVQGSQXSP-SAAWKEMMSA-N 347.390 1.082 0 40 EDAB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2)cc1 107574466 YJBXNNPMZZRLGQ-UHFFFAOYSA-N 341.367 1.779 0 40 EDAB NC(=O)c1ccc(-c2nnn(Cc3ccc(-n4cccn4)cc3)n2)cc1 23200092 MDOHYRLREVDCRE-UHFFFAOYSA-N 345.366 1.673 0 40 EDAB Cn1c(=O)c2c(-c3ccc(F)cc3)n(CCCO)cc2n(C)c1=O 12322728 MYEGPLFUKZTBIJ-UHFFFAOYSA-N 331.347 1.227 0 40 EDAB CCS(=O)(=O)N1CCC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1 107228494 JQYVLJQTYOYNTK-IUODEOHRSA-N 343.424 1.606 0 40 EDAB C[C@H]1CN([C@H](C)CNC(=O)c2c[nH]c(=O)c(Cl)c2)C[C@@H](C)O1 106116891 WBXOORUSGDHNKN-MXWKQRLJSA-N 327.812 1.256 0 40 EDAB CC(C)n1c(CN2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C 1311399 FQMUORHMBXQMKA-LBPRGKRZSA-N 333.436 1.389 0 40 EDAB O=C(O)CNC(=O)CCn1ccc2ccc(Br)cc21 20714877 AANHUMOALWXRON-UHFFFAOYSA-N 325.162 1.995 0 40 EDAB O=c1c(NCc2ccco2)c(N2CCN(c3ccccc3)CC2)c1=O 101697034 YNEIAUCAHAFBPJ-UHFFFAOYSA-N 337.379 1.814 0 40 EDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1cnc2ccccc2c1=O 25219422 CKAYCQLIRTZWMJ-LBPRGKRZSA-N 349.346 1.054 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NCCS(C)(=O)=O 56015349 OKSTUHZXTMUFCE-MDZDMXLPSA-N 347.440 1.663 0 40 EDAB COCCN1CCCC2(CCN(C(=O)c3cc(C)on3)CC2)C1=O 108534590 NYNLBUPGGIIXKN-UHFFFAOYSA-N 335.404 1.474 0 40 EDAB COC(=O)N1CCC(NC(=O)[C@H]2CC(c3ccccc3)=NO2)CC1 57455750 GEXXYQKBMWSTFS-OAHLLOKOSA-N 331.372 1.527 0 40 EDAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCN(c2ccc(F)cc2)CC1 61718111 LWCPHKWRIGRABL-UHFFFAOYSA-N 341.386 1.965 0 40 EDAB Cn1nc2c(c1NC(=O)c1cnn(C)c1-n1cccc1)CSC2 61718931 BIMYPXZZQGBKNS-UHFFFAOYSA-N 328.401 1.943 0 40 EDAB CC(=O)Oc1c(C)cc([C@]2(C(F)(F)F)NCCNC2=O)cc1C 22078207 PQSDLRDSOLXPGH-AWEZNQCLSA-N 330.306 1.706 0 40 EDAB O=S1(=O)CC[C@@H](N2CCN(c3ncnc4sccc34)CC2)C1 58160504 VNSSTKGHLWDXIC-LLVKDONJSA-N 338.458 1.000 0 40 EDAB COc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1OC 111929400 OBBHBTKGKMRDEV-UHFFFAOYSA-N 325.390 1.269 0 40 EDAB CCOC(=O)c1ccc(N2CCN(C(=O)C3CCOCC3)CC2)nc1 58228249 GHKWUKZYJXJTBC-UHFFFAOYSA-N 347.415 1.334 0 40 EDAB CC(=O)N1CCCN(C(=O)NC[C@H](c2cccs2)N(C)C)CC1 44966430 PIUAHFWHOQIGQJ-CQSZACIVSA-N 338.477 1.615 0 40 EDAB COc1ccc(C2=CCN(C(=O)Cn3cccnc3=O)CC2)cc1 44955423 UBEQXTHKIZECSF-UHFFFAOYSA-N 325.368 1.568 0 40 EDAB CN(C)c1cccc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 58322816 HTBUNPKMCPPCFC-GFCCVEGCSA-N 343.349 1.780 0 40 EDAB COc1ccc(-n2ncc(ON3C(=O)CCC3=O)c(Cl)c2=O)cc1 3104679 VAALJFOXLOKLAM-UHFFFAOYSA-N 349.730 1.337 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCCOCc2ccccc2)C[C@H](C)O1 58418571 YUIGPZGUDQCIKX-GJZGRUSLSA-N 342.461 1.537 0 40 EDAB COCCNC(=O)c1ccc(Cn2cnc3ccccc3c2=O)o1 36367136 IOSCXCKVIYMCTG-UHFFFAOYSA-N 327.340 1.414 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CCC(=O)NC1 48049398 WMEGTAUAYMMCPC-GXTWGEPZSA-N 327.388 1.313 0 40 EDAB CN(C)c1ccc(NC(=O)NC2CCN(c3ncccn3)CC2)cn1 48087806 JVKJZOXHVOXAGI-UHFFFAOYSA-N 341.419 1.728 0 40 EDAB CCOC(=O)c1sc2nc(CSCC(=O)O)[nH]c(=O)c2c1C 3300886 ONTNGYYKHQRYMK-UHFFFAOYSA-N 342.398 1.788 0 40 EDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cnn(-c2ccccc2)n1 12789888 LBFCLRQSKFMDQU-UHFFFAOYSA-N 332.327 1.495 0 40 EDAB CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(OCCOC)cc1 48251770 NDIRNBNXLSKCJJ-CQSZACIVSA-N 342.461 1.474 0 40 EDAB C[C@H](CCc1ccccc1)NC(=O)CSc1nc(N)cc(N)n1 3425803 RKDJUVNFVJUQJY-LLVKDONJSA-N 331.445 1.871 0 40 EDAB CS(=O)(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1 69583195 XDBKYXCLIXKGQS-UHFFFAOYSA-N 330.425 1.608 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)c2cc3c(s2)CCCC3)[nH]1 69570180 RCWRDVOAOBEYKG-UHFFFAOYSA-N 326.403 1.401 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(CCc2ccccc2)CC1 12980242 SLQDQEDCTSDZHB-UHFFFAOYSA-N 341.411 1.408 0 40 EDAB NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)c2ccccc2O1 13015882 WNCAFOHZAZNSIO-AWEZNQCLSA-N 336.344 1.267 0 40 EDAB COC(=O)c1ccccc1NC(=O)c1c(O)c2c([nH]c1=O)CCCC2 13122563 XXFAMZMQQCSJPT-UHFFFAOYSA-N 342.351 1.998 0 40 EDAB CCN1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)c2ccccc21 69737883 AOXYUPMWBRXAON-UHFFFAOYSA-N 345.424 1.821 0 40 EDAB COc1cccc(CNC(=O)CN2CCC[C@H](Cn3cncn3)C2)c1 69770325 ZLFQFSGUIAUBSY-INIZCTEOSA-N 343.431 1.315 0 40 EDAB CN(C)c1cc(C(=O)N2CCCN(Cc3cscn3)CC2)ccn1 69700180 SCJLZVLWLBPSMR-UHFFFAOYSA-N 345.472 1.952 0 40 EDAB CC[C@H]1CN(C[C@H](O)COc2ccc(F)cc2)CCN1CCOC 69738889 NNRYZMIDONPKPZ-IRXDYDNUSA-N 340.439 1.608 0 40 EDAB CCn1cc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C)c(C)n1 13720289 AZPQLCXQKINPBS-GOEBONIOSA-N 335.429 1.490 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2n[nH]c3ccccc23)CC1 65563980 KANJBJIVISJSBS-OAHLLOKOSA-N 341.415 1.117 0 40 EDAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c1C 14184910 NQIXHRMGVAMJJN-NSHDSACASA-N 335.404 1.825 0 40 EDAB CN(c1ncnc2c1cnn2C)[C@H]1CCCN(c2ccccc2)C1=O 69972081 RPXPILVGIQZIHS-HNNXBMFYSA-N 336.399 1.995 0 40 EDAB COc1ccc(C(=O)N[C@@H]2C(=O)NN[C@@H]2c2ccc(Cl)cc2)cc1 4588180 MSMOVPGQFAVDAE-CABCVRRESA-N 345.786 1.823 0 40 EDAB C[C@H](O)CN1CCC(CN(C)CC(=O)NC2CCCCCC2)CC1 69952269 DDYYPVPQXRXIQN-INIZCTEOSA-N 339.524 1.850 0 40 EDAB COc1ccc(OC)c(CCC(=O)N2CCN(C[C@H](C)O)CC2)c1 69980811 FFWISSQTVLZBEN-AWEZNQCLSA-N 336.432 1.161 0 40 EDAB COCCNC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 69929267 QLRIBVFHUOTBKA-UHFFFAOYSA-N 343.786 1.593 0 40 EDAB CC[C@H](NC(=O)c1cnn(C)c1C)c1ccccc1OCC(=O)NC 65603768 FLESFCAPAHJSDS-HNNXBMFYSA-N 344.415 1.734 0 40 EDAB O=C(CNC(=O)C1CCCCC1)OCc1cc(=O)n2ccsc2n1 5809693 BEIQLAQAKMBNJA-UHFFFAOYSA-N 349.412 1.496 0 40 EDAB CCc1ccccc1N1CCCn2c1nc1c2c(=O)[nH]c(=O)n1C 62720448 UOHALPPJRSWRDI-UHFFFAOYSA-N 325.372 1.528 0 40 EDAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)N2CCOCC2)cc1 8708836 KNZOHOHRNYZQAX-LLVKDONJSA-N 349.416 1.010 0 40 EDAB COC(=O)Cn1ccc(NS(=O)(=O)c2ccc(F)cc2C)n1 67890915 CAEFTAJYFOCDKO-UHFFFAOYSA-N 327.337 1.304 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)no1 67887395 JRMOHUYGFXEWTB-VXGBXAGGSA-N 332.404 1.349 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7543039 KGGXWWYVRGGKCZ-SUMWQHHRSA-N 348.468 1.664 0 40 EDAB CN(Cc1nccn1C)C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F 68719062 IEUCGSBRKVBNNX-SNVBAGLBSA-N 348.325 1.542 0 40 EDAB O=C(Cc1cccc(F)c1)NCC(=O)N[C@H]1c2ccccc2C[C@H]1O 81701308 QHMNTLDZXTZBTL-APWZRJJASA-N 342.370 1.259 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)OC)CC2)c1 24345782 TUFSTBPTUDHCMR-UHFFFAOYSA-N 341.385 1.047 0 40 EDAB CCC(CC)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 69369123 HMUZDMNCQAZVQR-UHFFFAOYSA-N 333.436 1.068 0 40 EDAB c1ccc(Cc2noc(CN3CCO[C@H](Cn4cccn4)C3)n2)cc1 69392315 ZPKZEUPQYGHYRW-INIZCTEOSA-N 339.399 1.758 0 40 EDAB C[C@H]1CN(CC(=O)NCCOc2ccc(Cl)cc2)C[C@H](C)O1 24950523 SMIXZKKUXPJULE-STQMWFEESA-N 326.824 1.944 0 40 EDAB C[C@@H](C(=O)NC[C@@H]1CCOC1)N1CCN(c2ccc(F)cc2)CC1 71897931 QNCSTPNPJXTVKI-GJZGRUSLSA-N 335.423 1.489 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H](c3ccccc3)N(C)C)CC2)on1 71841301 ISBNTLWMWIARSA-SFHVURJKSA-N 342.443 1.930 0 40 EDAB O=C(c1ccccn1)N1CCN(Cn2ccc(C(F)(F)F)n2)CC1 71840973 GDNOOAYHQGMXMV-UHFFFAOYSA-N 339.321 1.712 0 40 EDAB CN(C)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 71851734 ZXSLYWATDRYRDY-CQSZACIVSA-N 347.415 1.088 0 40 EDAB CC1CCN(c2ccc(CNC(=O)c3ccc(=O)[nH]c3)cn2)CC1 71853593 YOXPNCODWKTCND-UHFFFAOYSA-N 326.400 1.936 0 40 EDAB CC[C@H]1CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C[C@H]1N(C)C 89948472 YWSSMPOUMZNNIE-WCQYABFASA-N 345.365 1.666 0 40 EDAB Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)C(C)C)c1Cl 84086115 FQWYVFDDAISPHJ-UHFFFAOYSA-N 334.781 1.312 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1C[C@@H]2CCCN(c3nnnn3C)[C@@H]2C1 89913629 WVWKWZOPENWMPA-KGYLQXTDSA-N 344.423 1.132 0 40 EDAB C[C@H](NC(=O)CN1CCC(N2CCN(C)C2=O)CC1)c1ccco1 75604061 OAHWBAJGPKMSEL-ZDUSSCGKSA-N 334.420 1.289 0 40 EDAB Cn1ncc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1-n1cccc1 72273588 QXWGNCWQMZSGKR-MRXNPFEDSA-N 349.394 1.746 0 40 EDAB O=C(NCc1nc(-c2ccco2)n[nH]1)C(=O)Nc1cccc(F)c1F 72291124 KAJNWWMKHRCRHO-UHFFFAOYSA-N 347.281 1.598 0 40 EDAB C[C@H](NC[C@@H]1CCc2nncn2C1)C(=O)N1CCc2sccc2C1 72252908 PUURSDPNDGFPEU-STQMWFEESA-N 345.472 1.465 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3cccc4c3OCCO4)CCO2)n1 72253533 GBXRXBXHOUCUJS-INIZCTEOSA-N 344.415 1.567 0 40 EDAB CC(C)n1cnnc1[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 97033698 LOBLPICUHFLJOT-ZDUSSCGKSA-N 335.433 1.822 0 40 EDAB Cc1ccc(-c2nn(CC(=O)N3CCN(C)CC3)c(=S)o2)cc1 409166586 DGUBKFSAQRXAPG-UHFFFAOYSA-N 332.429 1.955 0 40 EDAB O=C(Cn1cn[nH]c1=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 97103137 FXFGVDFJBJLKDL-UHFFFAOYSA-N 340.368 1.815 0 40 EDAB Cc1nn(CCO)c(C)c1CNCc1ccc(-n2ccnc2)nc1 97159822 AWERTGCNZAMYEK-UHFFFAOYSA-N 326.404 1.363 0 40 EDAB Cn1cc(C[C@@H]2CCN(C(=O)NCc3cn4ccsc4n3)C2)cn1 84318258 BQAUZESKSQWUMW-LBPRGKRZSA-N 344.444 1.904 0 40 EDAB C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1N(C)C 76055971 GLKKBMUUKCKSFN-QMTHXVAHSA-N 344.864 1.766 0 40 EDAB NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(-n2cccn2)ccn1 84617988 OPJXPWXRQKOYHJ-KGLIPLIRSA-N 327.388 1.431 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(c2nccs2)[C@H](C)C1 95373375 QDKIVNWKANUSMC-SNVBAGLBSA-N 334.449 1.632 0 40 EDAB Cc1nc(N2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)c2ccsc2n1 95387214 CSPKUGYVHORHAO-NSHDSACASA-N 346.412 1.559 0 40 EDAB CC(C)N(C)S(=O)(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 95433015 AWTJXXSKXVPRRN-ZDUSSCGKSA-N 325.434 1.246 0 40 EDAB O=C(Nc1cnn(-c2ccccc2F)c1)N1CCN(CCO)CC1 95418813 BSSXWJXIJZNUFE-UHFFFAOYSA-N 333.367 1.153 0 40 EDAB Cc1cnn(CCC(=O)N(C[C@H]2CN(C)CCO2)c2nccs2)c1 95402098 JPZYQRZRMCKKRT-CQSZACIVSA-N 349.460 1.402 0 40 EDAB COCc1ccc(C(=O)OCCOCCNC(=O)C(F)(F)F)cc1 95467962 OYQVIWGURVKHLF-UHFFFAOYSA-N 349.305 1.685 0 40 EDAB COc1ccc(Br)cc1CC(=O)N[C@@H](C)CC(=O)O 95425014 UJLGZFVQDUDMBK-QMMMGPOBSA-N 330.178 1.980 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCc1ccc2c(c1)OCO2 78806408 BRTUCVCEXMFNQI-LLVKDONJSA-N 342.417 1.032 0 40 EDAB NC(=O)[C@@H]1CCCN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1 95989081 BNQVZUUOLQJONU-NSHDSACASA-N 337.742 1.150 0 40 EDAB Cc1nc2n(c1CN1CCN(C(=O)[C@H]3OCC[C@@H]3C)CC1)CCCC2 95988473 DHQBHTFEEOTISH-KSSFIOAISA-N 346.475 1.597 0 40 EDAB O=C1CC[C@]2(C(=O)NC[C@H]3COCCO3)Sc3ccccc3N12 95953295 HKVXSJOSPUAVRV-MEDUHNTESA-N 334.397 1.147 0 40 EDAB CC(C)C[C@@H](CO)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 95975715 KJPGDFVLMQLZKC-AWEZNQCLSA-N 340.445 1.363 0 40 EDAB CS(=O)(=O)N1CCC(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 95987855 ODFPQIUPVFUEQW-XHSDSOJGSA-N 342.505 1.595 0 40 EDAB O=C(CCn1cncn1)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 78901736 IPKWHROHEMXNHR-SNVBAGLBSA-N 342.325 1.816 0 40 EDAB Cn1cc([C@H](O)CNC(=O)N[C@@H](Cc2ccccc2)C2CC2)cn1 78942359 XMWLONVLNBILIQ-DLBZAZTESA-N 328.416 1.774 0 40 EDAB Cc1ccccc1NC(=O)[C@@H]1CSCN1S(=O)(=O)N(C)C 78979102 UBFYAHUMLYSQRL-LBPRGKRZSA-N 329.447 1.115 0 40 EDAB O=C(Cn1ccnn1)Nc1cc(Br)ccc1-n1cncn1 79020115 XNSXRFZSTHFUCV-UHFFFAOYSA-N 348.164 1.260 0 40 EDAB CNC(=O)NC(=O)CCN1CCC[C@H]1C(=O)OCc1ccccc1 89386339 IHBARDUXCHAOFO-AWEZNQCLSA-N 333.388 1.040 0 40 EDAB O=C(CCc1ccc(Br)cc1)NCc1n[nH]c(=O)[nH]1 79014337 XTONWGDSJONBEY-UHFFFAOYSA-N 325.166 1.110 0 40 EDAB Cc1sc2ncc(C(=O)NCCc3ccccn3)c(=O)n2c1C 79494440 KQNYKQHTPLWHOR-UHFFFAOYSA-N 328.397 1.740 0 40 EDAB CCCN1C(=O)/C(=C/c2ccccc2OCC(=O)OC)NC1=S 409092078 STBGPZFRJRKOGJ-XFXZXTDPSA-N 334.397 1.706 0 40 EDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc3c(c1)OCO3)CS2 23679911 QNOPYVJEHAYQAJ-BDJLRTHQSA-N 334.397 1.486 0 40 EDAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(CCO)CC1 22440954 RZFAIKCBLNHNNW-ZSYWTGECSA-N 342.524 1.435 0 40 EDAB Cc1nc(CN2CC[C@@H]3[C@H]2CCN3S(=O)(=O)C2CC2)cs1 306132307 LEOVXOWCJQGURJ-ZIAGYGMSSA-N 327.475 1.592 0 40 EDAB Cc1cc(N2CCC[C@H](OC(=O)CCc3cnn(C)c3)C2)nc(C)n1 66730969 JIEOCWAVKCKMJB-INIZCTEOSA-N 343.431 1.972 0 40 EDAB CCOC(=O)C1=C(C)NC(SCC(N)=O)=N[C@H]1c1ccccc1 33695088 SZFKTZDLBXDJCE-AWEZNQCLSA-N 333.413 1.743 0 40 EDAB C[C@@H](CNC(=O)CCN1C(=O)CCC1=O)N1CCc2sccc2C1 31962790 TYNCNZKKSSOCSH-LBPRGKRZSA-N 349.456 1.150 0 40 EDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@](C)(O3)[C@@H]2C1=O 408727174 DQTNEDSPODDDHR-LDDOYCOJSA-N 327.336 1.731 0 40 EDAB CC(=O)N1CCC(c2cnc(CCC(=O)NC(C)(C)CO)cn2)CC1 72366892 NALPGDXANKZRDR-UHFFFAOYSA-N 348.447 1.022 0 40 EDAB O=C(CN1CCC[C@H](C(=O)N2CCOCC2)C1)Nc1ccccc1 32888457 OTMBXCNPVDSQOA-HNNXBMFYSA-N 331.416 1.196 0 40 EDAB CCCNC(=O)Nc1cccc(OC(=O)C2=NN(C)C(=O)CC2)c1 78446290 ZSOYEDJHBKUCIK-UHFFFAOYSA-N 332.360 1.732 0 40 EDAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)NCCC(=O)N1CCCC1 61555185 DNSWNXXAKDXEOJ-UHFFFAOYSA-N 346.431 1.831 0 40 EDAB CC(C)OC(=O)Cn1nc(-c2cnccn2)nc1-c1cnccn1 40174395 QRPFGVLEMPJTCK-UHFFFAOYSA-N 325.332 1.144 0 40 EDAB Cc1cccc2c1ncn1c(=O)n(CC(=O)NCc3ccccc3)nc21 44166054 BLGZCMLYGQGWBX-UHFFFAOYSA-N 347.378 1.669 0 40 EDAB CC[C@@](C)(NS(=O)(=O)c1cncc(C(=O)O)c1)c1nccs1 570713358 KIFNJYKRPHJSKO-CYBMUJFWSA-N 341.414 1.840 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(CCCc2ccc3c(c2)CCO3)C1 192637500 NZNHLMDXAQSNCF-INIZCTEOSA-N 338.473 1.568 0 40 EDAB O=C(NCCC1=CN=C(O)N[C@H]1O)NC12CC3CC(CC(C3)C1)C2 225222645 DDASQCZCNUDXTB-IAHCOWJPSA-N 334.420 1.364 0 40 EDAB O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1CCc1nc2cc(Cl)ccc2[nH]1 226305044 DKJBITWPTIXNIW-UXOAXIEHSA-N 345.786 1.921 0 40 EDAB COC(=O)[C@H](CNS(=O)(=O)c1cccnc1)c1ccc(F)cc1 193116479 XCIZYDYFVAYXLY-CQSZACIVSA-N 338.360 1.456 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)/C=C/c2nc3ccccc3o2)cn1 80892571 NVAQAZWFMKNHOV-IWAYRVGRSA-N 326.356 1.598 0 40 EDAB Cc1nc(NC(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)sc1C 85473786 PWAJSMRFHOBEKX-SNVBAGLBSA-N 336.442 1.986 0 40 EDAB CN(C)C(=O)CO[C@@H]1CO[C@@]2(CCCN(Cc3cccs3)C2)C1 96206182 OSUZNVQUWLJYNL-YOEHRIQHSA-N 338.473 1.976 0 40 EDAB CN(C(=O)c1ccncc1)c1ccc(CNC(=O)Cn2cccn2)cc1 96412079 UUCRBYPPWHZGAJ-UHFFFAOYSA-N 349.394 1.871 0 40 EDAB Cc1ccccc1CS(=O)(=O)NC1(CC(=O)O)CCOCC1 577488818 IIQSHVJMEFBEBF-UHFFFAOYSA-N 327.402 1.438 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)N2CCCO2)C1 97953377 ZLPGMAICWQLBBA-NVXWUHKLSA-N 335.404 1.436 0 40 EDAB CN(CCC1CCOCC1)S(=O)(=O)Cc1ccc(C(=O)O)cc1 578353718 SWFOQUBPLNYCIS-UHFFFAOYSA-N 341.429 1.963 0 40 EDAB c1ccc(CN2Cc3nccn3C[C@@H](CN3CCOCC3)C2)nc1 96188501 RCNRURAJGCTCAI-INIZCTEOSA-N 327.432 1.242 0 40 EDAB O=C1C[C@@]2(CCN(S(=O)(=O)C3CC3)C2)CN1c1ccc(F)cc1 96238766 FHWVJQZVCMDVJV-MRXNPFEDSA-N 338.404 1.747 0 40 EDAB O=C(Cn1nc2n(c1=O)CCCCC2)NC1C2CC3CC(C2)CC1C3 96402292 GYVYMWKCZIYOIY-UHFFFAOYSA-N 344.459 1.712 0 40 EDAB CCN1C[C@]2(CC1=O)CN(C(C)=O)CCN(C(=O)c1cccs1)C2 96036157 RUXJPZBKCVYAFW-QGZVFWFLSA-N 349.456 1.291 0 40 EDAB O=C(NCc1ccco1)[C@H]1CN(c2ncc(F)cn2)C[C@H]2OCC[C@H]21 96041181 SXJFPBAWRCDJQI-SOUVJXGZSA-N 346.362 1.366 0 40 EDAB Cn1cnc(C(=O)N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 96072492 SNBMBQTYEFKAQG-YOEHRIQHSA-N 328.372 1.268 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@@H]21 96043498 NWKMVYLHVPFPIY-BZUAXINKSA-N 342.399 1.935 0 40 EDAB COc1ncccc1C(=O)N1CC[C@H]2OCC[C@@]2(c2nc(C)no2)C1 96038754 NNTQPWHXAOZBLK-CXAGYDPISA-N 344.371 1.354 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1 247882540 WBVYDVGVEWGCNE-AWEZNQCLSA-N 329.356 1.660 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12)c1cnccn1 247387428 KOIDWWBWNHLXRI-BZUAXINKSA-N 344.440 1.700 0 40 EDAB CC(C)n1nccc1C(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257264239 LTNLTFPENFEUST-DJIMGWMZSA-N 344.415 1.950 0 40 EDAB CN(C(=O)c1ccc(NC(=O)c2cncn2C)cc1)C1CCOCC1 585085522 QKUIRTWDZGYYAE-UHFFFAOYSA-N 342.399 1.923 0 40 EDAB Cn1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OC(C)(C)C)n1 585090843 QMQDVUGPFGFUJO-CQSZACIVSA-N 330.388 1.498 0 40 EDAB O=C(NCc1cnn2ccccc12)c1cccc(C(=O)N2CCCC2)n1 585082454 VZMZJHDLEQRINH-UHFFFAOYSA-N 349.394 1.895 0 40 EDAB Cc1ccc(C(=O)NC[C@@]2(O)CCCN(c3cc(C)ncn3)C2)cn1 257225830 FIBFCKLQWBJYTB-SFHVURJKSA-N 341.415 1.250 0 40 EDAB Cn1cc(C(=O)N(c2ccccc2)[C@H]2COC3(CCNCC3)C2)cn1 257207549 BIGFQAWGNKXHMI-QGZVFWFLSA-N 340.427 1.978 0 40 EDAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)Cn2cc(C)cn2)ccn1 257207667 BIROEDMZTUTFII-KRWDZBQOSA-N 341.415 1.586 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)CCn3ccccc3=O)CCO2)n1 257258589 KURJISDALHAXGR-HNNXBMFYSA-N 342.399 1.275 0 40 EDAB CCOC(=O)c1c[nH]nc1[C@@H]1CCN(Cc2nnnn2C(C)(C)C)C1 585116314 QJXCTUXJPBPGDE-LLVKDONJSA-N 347.423 1.317 0 40 EDAB C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1nnc2c(Cl)cccn12 585128017 PRCDVMPDUXZXBX-MNOVXSKESA-N 338.795 1.583 0 40 EDAB CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCN(CC3CC3)C2)C1 252581964 UXPIQHMNZVXIBY-AGQHMROBSA-N 341.521 1.850 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 257223523 DXSXBUSZBWHVLA-KRWDZBQOSA-N 326.400 1.900 0 40 EDAB O=C1CCCN1CC[C@H]1CN(C2CCOCC2)Cc2ccnn2C1 253616741 KYGGKHDIYNPCPL-HNNXBMFYSA-N 332.448 1.506 0 40 EDAB CNC(=O)c1cn[nH]c1[C@@H]1CCN(Cc2cnc(C(C)C)nc2)C1 257299444 RQCOBCVEHNZYST-CYBMUJFWSA-N 328.420 1.672 0 40 EDAB Cc1cn(C)c([C@@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)n1 257271626 MZCCZPZZUMLJCR-INIZCTEOSA-N 345.399 1.765 0 40 EDAB Cn1ccnc1CN1CCC[C@@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257256536 KLWWBHVXPOCXLM-LBPRGKRZSA-N 337.449 1.001 0 40 EDAB O=C(N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O)c1cccc(F)c1 257255614 KIETXACQWJWBOM-BRSBDYLESA-N 345.370 1.887 0 40 EDAB Cc1cncc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)c1 257213832 CJGFROAQEUZUJR-IBGZPJMESA-N 340.427 1.889 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N1CC(Nc2ncccn2)C1 253472411 MBZKRQHXXXAJJH-UHFFFAOYSA-N 338.364 1.109 0 40 EDAB CC(=O)N1CCN(Cc2cc3ccccc3s2)C[C@@H](C(N)=O)C1 257269268 MPGRARNGQDGPPE-CQSZACIVSA-N 331.441 1.667 0 40 EDAB Cc1c(C(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)nnn1-c1ccc(F)cc1 257265555 LZDRZHQPVUJBFM-IIAWOOMASA-N 348.378 1.061 0 40 EDAB Cn1nccc1[C@H](NC(=O)[C@H]1CCOc2c(F)cccc21)C(=O)O 1601032725 HIQUWJKWJBWBOY-GWCFXTLKSA-N 333.319 1.367 0 40 EDAB c1ccc(CN2C[C@@H]3COCCN3C3(C2)CN(C2CCC2)C3)cc1 604381012 BHXRSBGBHJUEQO-LJQANCHMSA-N 327.472 1.810 0 40 EDAB biogenic,in-vitro C[S@@](=O)Cc1cccc(C(=O)NCc2nnc3n2CCCC3)c1 41141781 HPPQJPKRILORQF-QHCPKHFHSA-N 332.429 1.423 0 40 EDAB Cc1oc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@]12CCOC2 1615616001 UNWQVAOEMUOXBO-OAHLLOKOSA-N 327.402 1.777 0 40 EDAB C[C@H](c1nc(C2CCCC2)no1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1616039446 WTCMNLKCBOVJRN-WECGXBHGSA-N 331.372 1.951 0 40 EDAB Cc1cc(C)n([C@@H]2CCCN([C@H]3CCCCN(CC(=O)O)C3=O)C2)n1 643874720 BBKKPXNPQVOOEA-CVEARBPZSA-N 348.447 1.603 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1 574444863 FTNDMLIAHXXLCP-ZDUSSCGKSA-N 347.820 1.746 0 40 EDAB CO[C@@H]1CN(C(=O)CCn2nnnc2C)CC[C@@H]1Cc1ccccc1 585280306 DYGRLDRLJZWOBH-IAGOWNOFSA-N 343.431 1.478 0 40 EDAB O=S(=O)(Cc1ccon1)N1CCC(CCCn2ccnc2)CC1 679939893 JKCZBGIGSHKWFT-UHFFFAOYSA-N 338.433 1.893 0 40 EDAB CCOc1ccc(-c2nc(CC(=O)N[C@H](C)C(N)=O)cs2)cc1 45054619 JBZYJIDJCQPBKA-SNVBAGLBSA-N 333.413 1.741 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)[C@H](CC(C)C)NS(C)(=O)=O 47644018 UZIOYANOSJZYRA-ZDUSSCGKSA-N 331.438 1.214 0 40 EDAB COc1ccccc1OCCN1C(=O)C(=O)N(C2CCCC2)C1=O 48364296 ABKZVAQFIULPIR-UHFFFAOYSA-N 332.356 1.807 0 40 EDAB CC(C)c1cc(C(=O)NCCN2C(=O)c3ccccc3C2=O)n[nH]1 54233043 KVVNOOVEEPKPOA-UHFFFAOYSA-N 326.356 1.559 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)CCO1 50857580 DTAYMGIGFAKDSD-MRXNPFEDSA-N 325.368 1.439 0 40 EDAB Cc1ccc(C(=O)CCC(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cc1 103278822 ONECELJFTNDROY-AWEZNQCLSA-N 328.368 1.364 0 40 EDAB Cc1ncnc(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)c1C 585613574 AQROLXNWYXPADK-IYBDPMFKSA-N 330.432 1.415 0 40 EDAB O=C(NCCN1C(=O)CCC1=O)c1ccc(Br)c(F)c1 72818646 HUHBQBZRTYHAQR-UHFFFAOYSA-N 343.152 1.467 0 40 EDAB COC(=O)Cc1csc(CNC(=O)[C@@H]2CCc3cccc(O)c32)n1 1615586439 NZRJBVWXKTYETP-GFCCVEGCSA-N 346.408 1.910 0 40 EDAB COc1cccc(NC(=O)C2CN(C(=O)c3cnc(C)nc3C)C2)c1 19747613 XLZMVTUHFAUDHK-UHFFFAOYSA-N 340.383 1.813 0 40 EDAB COc1ccc([C@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1OC 19937535 RNBGRRAVSYUFCS-JTQLQIEISA-N 345.399 1.824 0 40 EDAB CCc1ccc(S(=O)(=O)N[C@H](Cn2nccn2)C(C)C)s1 238870302 MSVNDUPCPIRGND-GFCCVEGCSA-N 328.463 1.905 0 40 EDAB CCc1cccc(C)c1NC(=O)C[C@H](C(=O)O)N1CCN(C)CC1 22584996 XATWUIOGRXQCOP-OAHLLOKOSA-N 333.432 1.587 0 40 EDAB O=C(c1cnn2c1OCCC2)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575607719 VWNKHPQREQXSSK-LLVKDONJSA-N 349.778 1.403 0 40 EDAB COCCn1ccc(C(=O)N[C@H]2CC[C@@H](C(F)(F)F)N(C)C2)n1 583619692 IXMMNUGZLDFITG-JQWIXIFHSA-N 334.342 1.284 0 40 EDAB Cc1nc(N2C[C@@H]3CN(C(=O)[C@H]4CC4(C)C)C[C@H]3C2)nc(O)c1F 1888844507 BSFOMYBQCGFNKF-SDDRHHMPSA-N 334.395 1.570 0 40 EDAB COc1ccnc(N2CCN(c3nc(SC)nc(C)c3C)CC2)n1 1888866556 KFHQIXNQZCMVAI-UHFFFAOYSA-N 346.460 1.941 0 40 EDAB O=c1c(=O)n(C2CCCC2)ccn1Cc1cc(=O)n2ccccc2n1 1888869845 LPBLPPLYDHOVQF-UHFFFAOYSA-N 338.367 1.181 0 40 EDAB O=C([C@H]1CN(c2ccc(C(F)(F)F)cn2)CCO1)N1CCCC1 1889096190 CGKYXHGFCPMMNW-GFCCVEGCSA-N 329.322 1.928 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N(Cc1cccnc1)C1CC1 28515205 JYFGRLIERCYUPV-UHFFFAOYSA-N 334.379 1.983 0 40 EDAB CN1C[C@@]2(COCC1=O)CN(C(=O)c1ccc(Cl)cc1)CCO2 2037985864 ZAUHOHMDPQRUEO-INIZCTEOSA-N 338.791 1.040 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cccc(Br)c1O 2037873278 LSQGMWONPUWOMG-CKYFFXLPSA-N 330.178 1.159 0 40 EDAB COc1ccc(C(=O)N2CC3(C[C@@H](NC4CCC4)CS3)C2)cn1 2056223362 HRBBAIIKEQZBDG-CQSZACIVSA-N 333.457 1.932 0 40 EDAB O=C(c1cc(C2CC2)on1)N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 1074306638 CVTACEYEPBFMEK-HOTGVXAUSA-N 331.416 1.877 0 40 EDAB CCCS(=O)(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 1614940046 DICBNTBRHCCJLP-MRXNPFEDSA-N 349.456 1.875 0 40 EDAB CC1CC(C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)C1 1614933057 DNUWYXUOPBMOCW-JFIBYHEFSA-N 342.443 1.377 0 40 EDAB CSc1nc(C)c(C)c(N2CCN(c3ccc(O)nn3)CC2)n1 2086934235 PUDNRHLNHYIJQM-UHFFFAOYSA-N 332.433 1.638 0 40 EDAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)CC3(O)CCC3)CC2)C1 1565544545 KPDSRTOYTRUWTE-AWEZNQCLSA-N 338.448 1.214 0 40 EDAB CC(C)NC(=O)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 425101 USTHBFPGRRDYPV-UHFFFAOYSA-N 335.385 1.702 0 40 EDAB COC(=O)c1ccc(NC(=O)CSc2cc(C)[nH]c(=O)n2)cc1 4314646 CRPNGRGOTOZCQT-UHFFFAOYSA-N 333.369 1.596 0 40 EDAB O=c1[nH]c(SC/C=C/c2ccccc2)nc2c1cnn2CCO 7417749 KILQBJNXSZVXPJ-QPJJXVBHSA-N 328.397 1.917 0 40 EDAB COc1ccc(Nc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1OC 12227517 IGJNVRALXXJYHY-UHFFFAOYSA-N 342.355 1.393 0 40 EDAB C[C@](O)(CNC(=O)C(=O)NCc1cccs1)Cc1ccsc1 618254924 HPGUPYHQOXIDPV-OAHLLOKOSA-N 338.454 1.536 0 40 EDAB O=C(C[C@H](C(=O)O)N1CCNCC1)Nc1ccc(Cl)c(Cl)c1 22592805 WIQJYOAMEIJGHD-GFCCVEGCSA-N 346.214 1.680 0 40 EDAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(N)=O)c1 16043186 JGXHIHIXFGOQGH-AYOQOUSVSA-N 348.443 1.857 0 40 EDAB biogenic C[C@@H](CNC(=O)NCc1cccc2c1OCO2)N1C[C@@H](C)O[C@H](C)C1 50100135 BNRRBHIMPYRLNO-BFHYXJOUSA-N 349.431 1.712 0 40 EDAB COc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cn1 40286654 PUOXUTYJBHGZAY-UHFFFAOYSA-N 329.312 1.074 0 40 EDAB O=C(NC[C@H]1COc2ccccc2O1)c1cccc(-n2cnnn2)c1 31241504 VOGBTMNOWDLDAS-AWEZNQCLSA-N 337.339 1.232 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCc2ccc(N3CCOCC3)nc2)c1 11007909 NWDAPSZHKKTYAB-UHFFFAOYSA-N 328.372 1.379 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 415552 CCYBEJWSNWVNQW-GFCCVEGCSA-N 346.474 1.358 0 40 EDAB CCN1C[C@@H](C(=O)N[C@@H](c2ccccc2F)c2nccn2C)CC1=O 28983196 JAIIWMPZENHUQJ-LRDDRELGSA-N 344.390 1.633 0 40 EDAB Cn1c(=O)ccn(CC(=O)N(Cc2ccc(F)cc2F)C2CC2)c1=O 40514093 XSGGJQILVVQRBG-UHFFFAOYSA-N 349.337 1.016 0 40 EDAB O=C(CCc1cccs1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 40505263 FJPPMFFFGLFZOS-ZBFHGGJFSA-N 338.473 1.534 0 40 EDAB C[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1nnc2ccccn12 31952214 UBYPCOPHALNGOK-SNVBAGLBSA-N 334.339 1.457 0 40 EDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCO2 3564534 LHONDYXDXSPMIP-UHFFFAOYSA-N 339.303 1.868 0 40 EDAB CCOC(=O)N1CCN(C(=O)C(=O)c2c(C)[nH]c3ccccc23)CC1 4163463 ORYOEBBAVDCROR-UHFFFAOYSA-N 343.383 1.960 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(N)=O 4186272 AFBWSRMGNGDPQF-IJLUTSLNSA-N 327.425 1.402 0 40 EDAB CCc1ccc(OC)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 11566108 UWPJOWXQDFAWBN-UHFFFAOYSA-N 326.418 1.110 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N(C)Cc1ccccc1C(=O)OC 75141316 DZIJRMNSUGBTOD-LBPRGKRZSA-N 341.429 1.645 0 40 EDAB CN1CC(=O)N(CCCC(=O)OCc2nnc(-c3ccco3)o2)C1=O 7933428 BWFPKLBRMMYQLT-UHFFFAOYSA-N 348.315 1.047 0 40 EDAB CCOC[C@H](C)NC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O 75123655 KSJBWTGMVODQTR-NSHDSACASA-N 330.388 1.224 0 40 EDAB NC(=O)c1ccsc1NC(=O)Cn1cnc2ccsc2c1=O 8328625 XUTPLKTWMWXBLD-UHFFFAOYSA-N 334.382 1.257 0 40 EDAB O=C(c1cnccn1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 51983926 VJBSMHKDMPALGY-UHFFFAOYSA-N 348.765 1.867 0 40 EDAB CC(C)n1[nH]cc/c1=N\C(=O)CSc1nnnn1C1CCCC1 101761568 CGRPOUIZRIDPAN-FOWTUZBSSA-N 335.437 1.718 0 40 EDAB COc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(OC)c2)cc1 52818552 CDHCEJKWPUHHBG-UHFFFAOYSA-N 344.367 1.967 0 40 EDAB CN(C)C(=O)N[C@H]1CCOC2(CCN(Cc3cccnc3)CC2)C1 108534581 INCKVZFYQKEJDL-INIZCTEOSA-N 332.448 1.866 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)NCC2CC2)c1 29727346 IWRDETUJXVOWRC-UHFFFAOYSA-N 325.434 1.291 0 40 EDAB Cc1nc(CNC(=O)NCC(C)(C)N2CCN(C)CC2)cs1 89712470 OGFVTSPLVVIFAN-UHFFFAOYSA-N 325.482 1.277 0 40 EDAB COCCN1CN(n2c(C)nnc2C)Cn2c1nc1ccccc12 9262118 UQDKQKUUZNZTTK-UHFFFAOYSA-N 327.392 1.264 0 40 EDAB CC[C@H](C)[C@H](CO)Nc1ncnc2c1c(Br)nn2C 71920888 YZIATCNYQFSOQN-YUMQZZPRSA-N 328.214 1.945 0 40 EDAB C[C@@H]1CN(c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 537112 ZXUJIHWFKRUQDF-LLVKDONJSA-N 325.372 1.222 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 33210585 ZKSDNWYCHXTALT-JKSUJKDBSA-N 343.427 1.162 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H]1Cc2ccccc2O1 46619409 WIIZMRWODJNMBU-CYBMUJFWSA-N 346.408 1.376 0 40 EDAB CN(CCS(=O)(=O)CCC(N)=O)Cc1cccc2ccccc12 53017138 SKZKVHGBZHTZHP-UHFFFAOYSA-N 334.441 1.562 0 40 EDAB Cc1ccccc1-n1ccn(CC(=O)NCc2ccco2)c(=O)c1=O 22723747 BQZICGFDUBCQJM-UHFFFAOYSA-N 339.351 1.217 0 40 EDAB O=C(/C=C1/SC(=O)N(CN2CCOCC2)C1=O)Nc1ccccc1 15413771 JJEVMGYBDOQENT-JLHYYAGUSA-N 347.396 1.494 0 40 EDAB C[C@@H](OC(=O)CN(C)c1ncccn1)c1nc2ccccc2c(=O)[nH]1 23173401 NYURLTHSLHBVMQ-LLVKDONJSA-N 339.355 1.454 0 40 EDAB Cc1cnc2c(S(=O)(=O)N3CCC[C@H](C(N)=O)C3)cccc2c1 42626129 UHLPOFIAEBJIBY-ZDUSSCGKSA-N 333.413 1.429 0 40 EDAB O=C1CC2(CCCCC2)C(=O)N1CN1CCN(c2ncccn2)CC1 23640857 GFRGCDRAMGLRRT-UHFFFAOYSA-N 343.431 1.266 0 40 EDAB O=C(CCNC(=O)c1ccco1)Nc1cnn(C[C@@H]2CCCO2)c1 43271179 MZDKTHFPVPFMDK-ZDUSSCGKSA-N 332.360 1.414 0 40 EDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 64572913 MORKWOORXJOODK-UHFFFAOYSA-N 330.475 1.897 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)Nc2cccc3c2OCCO3)c1 55685754 BONKAOHRBSSRLE-UHFFFAOYSA-N 335.337 1.957 0 40 EDAB CCN(Cc1ccc(Cl)s1)C(=O)Cn1ccc(=O)[nH]c1=O 25470727 WBAJTRWICVZYSP-UHFFFAOYSA-N 327.793 1.300 0 40 EDAB CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@H]2c2cccc(F)c2)nn1 56985561 AVRKGJUPBRYCKX-HNNXBMFYSA-N 345.378 1.483 0 40 EDAB CCCc1noc([C@@H](C)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 44586896 XRTWVDZMADVJDR-KGLIPLIRSA-N 336.436 1.654 0 40 EDAB O=C(CN1CCC[C@H]1C(=O)NCc1ccco1)Nc1ccccc1 27141267 VCSFAXKZOJXATB-INIZCTEOSA-N 327.384 1.999 0 40 EDAB CCOCc1ccccc1CNC(=O)c1cccc(S(N)(=O)=O)c1 27345750 IUMKOQMEQXTDCV-UHFFFAOYSA-N 348.424 1.801 0 40 EDAB CCc1ccccc1Nc1nc(N)nc(CN2CCC[C@H]2C(N)=O)n1 58158036 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337.372 1.253 0 40 EDAB COc1ccc(-c2noc(CN3CC[C@H](C(N)=O)C3)n2)cc1OC 48037068 BKCMSDDUPDVYIG-NSHDSACASA-N 332.360 1.061 0 40 EDAB COc1ccc(/C=C/C(=O)OCC(=O)NCC(F)(F)F)cc1OC 3320650 HYBHOUBXYISFRL-GQCTYLIASA-N 347.289 1.939 0 40 EDAB CCCn1nc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)ccc1=O 13000123 RMMLQOKMHXOPQJ-JTQLQIEISA-N 342.355 1.625 0 40 EDAB COc1ccc([C@@H](C)NC(=O)N(C)[C@H](C)CS(C)(=O)=O)cc1F 69917639 BIDWIBVOXGPSRS-GHMZBOCLSA-N 346.424 1.970 0 40 EDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1c(=O)cnc2ccccc21 7814752 URGQUNVTDCSHAO-QGZVFWFLSA-N 349.390 1.713 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 69421163 PIPYOUQEUOVSLY-LLVKDONJSA-N 344.415 1.699 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNC(=O)c2ccc(N3CCCC3)nn2)C1 69441517 GYLIGNWZILIJNG-GASCZTMLSA-N 331.464 1.785 0 40 EDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1cccc2c1OCCO2 69491975 WYMLRRNYCMPGCZ-SWLSCSKDSA-N 335.356 1.469 0 40 EDAB CCOC(=O)NC(=O)COC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 5228440 LQQPHXLSEZZKNX-JTQLQIEISA-N 344.364 1.202 0 40 EDAB O[C@H](CNCc1cnc(N2CCOCC2)nc1)c1cccc(F)c1 65467473 CIHMKLDCGJDAML-MRXNPFEDSA-N 332.379 1.276 0 40 EDAB NC(=O)[C@@H]1CCCN1CC(=O)Nc1ccc(OC(F)(F)F)cc1 65522442 QBPOTPDTXYVDFR-NSHDSACASA-N 331.294 1.473 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)OC[C@@H]1CCCCO1 65592109 OEZGKUISVWZMQU-XIRDDKMYSA-N 349.427 1.861 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)NCC(c1ccccc1)c1ccccc1 14140026 YKMRNQZBECBRRI-UHFFFAOYSA-N 349.390 1.485 0 40 EDAB C[C@@H](CNC(=O)CCn1ncc(=O)c2ccccc21)Cn1cccn1 65622570 BOYDSFCHRYWWEZ-AWEZNQCLSA-N 339.399 1.436 0 40 EDAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N1CCNC1=O 6589279 HTSGBVDIJRRACB-UHFFFAOYSA-N 337.792 1.769 0 40 EDAB CSc1nnc(CN2CCN(Cc3nc(C)no3)CC2)s1 65950437 IJBQSQOCZXVLIK-UHFFFAOYSA-N 326.451 1.269 0 40 EDAB CC1(C)Cc2c(sc(NC(=O)N3CCOCC3)c2C(N)=O)CO1 6662255 OMFCMUGDBRAVDA-UHFFFAOYSA-N 339.417 1.562 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 20490238 YTSCTYLEPSNIAZ-LLVKDONJSA-N 345.852 1.797 0 40 EDAB CC(C)n1nccc1NS(=O)(=O)c1ccccc1S(C)(=O)=O 66248441 NFPJAZVQKJKQSY-UHFFFAOYSA-N 343.430 1.668 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(C)n1-c1ccc(C)cc1 4835908 UPICDLFXBPTRSE-SNVBAGLBSA-N 333.417 1.820 0 40 EDAB COC(=O)c1ccc(NC(=O)CN2CCCC[C@@H]2C2OCCO2)cc1 69304537 INSGFXFEDWPNAD-OAHLLOKOSA-N 348.399 1.639 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)N2CCNC(=O)[C@@H]2C(C)C)cc1 69776374 MXCFFURTHYXTKG-FSNWXROXSA-N 330.384 1.469 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](c2cccc(F)c2)C1 69775966 IBOCVRNJFAQMGI-OCCSQVGLSA-N 326.393 1.512 0 40 EDAB Cc1ccc(OC[C@H](C)NC[C@@H]2CNc3c(C(N)=O)cnn3C2)cc1 69707461 HWVJNFNVEMDGTO-UONOGXRCSA-N 343.431 1.389 0 40 EDAB Cc1cc(NC(=O)CSc2nc(O)cc(=O)n2CC(C)C)no1 18088108 UADCGDRHCKYVEC-UHFFFAOYSA-N 338.389 1.632 0 40 EDAB COCCNC(=O)CNC(=O)C[C@H]1CCCc2cc(OC)ccc21 72026694 QOKLDZUWQHYOJX-CQSZACIVSA-N 334.416 1.384 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 18197787 LVYBNMGIJONISZ-UHFFFAOYSA-N 332.381 1.806 0 40 EDAB CC[C@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C[C@@H]1N(C)C 89948430 UHJVZRXJWJBBHS-GUYCJALGSA-N 345.443 1.749 0 40 EDAB CCN(C)S(=O)(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 89960870 HTRWYECIZBBRAF-HNNXBMFYSA-N 330.425 1.768 0 40 EDAB CCN(C)S(=O)(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 89960876 PBZPGTRTNZCDIH-NSHDSACASA-N 326.340 1.525 0 40 EDAB CCc1nsc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1 92946044 RLHWKLCYJULOKS-UHFFFAOYSA-N 333.417 1.642 0 40 EDAB Cc1nc(-c2ccc(N3CCC[C@H]3C(=O)N(C)C)nc2)[nH]c(=O)c1C 84052246 FYUZEWOCCHCBCM-AWEZNQCLSA-N 341.415 1.506 0 40 EDAB Cc1ccc(N2CCC(C(=O)NC[C@]3(O)CCSC3)CC2)nc1 82965375 DGJLDVILUKFIIU-QGZVFWFLSA-N 335.473 1.591 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)CCn1cccn1 96009922 QBWMWVKGLJXHGJ-UHFFFAOYSA-N 339.465 1.673 0 40 EDAB CCOc1ncccc1CNC(=O)c1cnn(C)c1Br 96012297 XYAGQEGHEBGFNP-UHFFFAOYSA-N 339.193 1.906 0 40 EDAB C[C@H](On1nnc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 9499380 YWPHPBHMJVIJNA-NSHDSACASA-N 340.339 1.658 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O 9450500 UNAIXKPPZYALDU-INIZCTEOSA-N 339.342 1.600 0 40 EDAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2cccnc2)N1)OCCCO4 9477601 MVLBBYOKERYIET-HNNXBMFYSA-N 336.355 1.689 0 40 EDAB CCn1nnc2cc(C(=O)N3CCC[C@@H](n4cncn4)C3)ccc21 72234718 GMVJJRSHKSYWLX-CYBMUJFWSA-N 325.376 1.520 0 40 EDAB O=C(NCC[C@H](O)C(F)(F)F)[C@@H]1CSCN1C(=O)C1CCC1 72288836 IKTVRRNWWWOWPV-UWVGGRQHSA-N 340.367 1.118 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H]1c1cnn(C)c1 71797031 BJONPVBSXOROBX-OAHLLOKOSA-N 348.428 1.353 0 40 EDAB Cc1nc(C(=O)N(C)CC(=O)N(C)C)nn1-c1ccccc1Cl 71844014 VFIQFDRGCGRVAS-UHFFFAOYSA-N 335.795 1.389 0 40 EDAB CN(Cc1nc2ccccc2s1)C[C@H](O)CN1C(=O)CCC1=O 71898293 NODJDXLOKRGFQY-NSHDSACASA-N 333.413 1.238 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)cs1 71830642 DHXWXWMDOZETIN-JKSUJKDBSA-N 345.472 1.633 0 40 EDAB O[C@@H](CN[C@@H]1CCCN(c2cccnn2)C1)COCc1ccccc1 71876883 FSCRUUYXGYTQDI-MSOLQXFVSA-N 342.443 1.613 0 40 EDAB NC(=O)CCn1ccc(NC(=O)c2cncc(Br)c2)n1 78773935 ORCVINDGLDNGFX-UHFFFAOYSA-N 338.165 1.168 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cnc1Cl 72301953 AWOZMHKCSKPOHL-LLVKDONJSA-N 329.853 1.806 0 40 EDAB O=C(c1ccsc1)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 72307138 WZUDCIDAJROLMK-CQSZACIVSA-N 336.438 1.973 0 40 EDAB Cn1cc(C2CCN(CC(=O)NCCOc3ccccc3)CC2)cn1 97203279 DCRZYPCYGWMEEA-UHFFFAOYSA-N 342.443 1.795 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)Cc3ccc(C)nc3)CCO2)n1 78889817 SDZNXPUCHMVTOI-CQSZACIVSA-N 329.404 1.603 0 40 EDAB C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCc2cccc(N(C)C)c2)CC1=O 78922324 ITPHWHPZEOIDLP-XNRPHZJLSA-N 330.432 1.561 0 40 EDAB CO[C@@H]1CCC[C@@H]1OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 78985151 ZAVFRIOCPRKWPU-KGLIPLIRSA-N 332.356 1.191 0 40 EDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCC(=O)N2CCC[C@@H](C)C2)C1 95393539 GFHQZCSHLCXVGR-ILXRZTDVSA-N 345.509 1.447 0 40 EDAB COC[C@H](NC(=O)c1cc(C)c(Br)cc1C)C(N)=O 95454041 KVLXBQJIHAJZEP-NSHDSACASA-N 329.194 1.296 0 40 EDAB O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CC[C@@]2(CCOC2)C1 95410777 IVVPFYPDRVVCJU-MAUKXSAKSA-N 332.375 1.818 0 40 EDAB C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CCO1 84715056 LLKLVFVVHDSLKI-GFCCVEGCSA-N 346.383 1.914 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)C[C@H]1N1CCOCC1 84735773 WWRLINJXEZDVPK-KBAYOESNSA-N 344.455 1.807 0 40 EDAB CCc1nc(C(=O)N2CCN(CCc3ccc(OC)cc3)CC2)c[nH]1 79014290 XVHFKYWWPCOPJE-UHFFFAOYSA-N 342.443 1.981 0 40 EDAB C[C@@H](NCC(=O)NCc1cccnc1)c1ccc2c(c1)CCC(=O)N2 95984497 HVOANILAORITBR-CYBMUJFWSA-N 338.411 1.933 0 40 EDAB Cc1cc(S(=O)(=O)Nc2ncn(Cc3ccncc3)n2)c(C)o1 95988769 IZONEKIZPJHDLA-UHFFFAOYSA-N 333.373 1.732 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccc(-n2cccn2)cc1 95987314 CVNKTEZRFABYER-STQMWFEESA-N 327.388 1.990 0 40 EDAB COc1cc(CC(=O)N(CCC(=O)O)C2CC2)cc(OC)c1OC 89426507 TUOBHKMERPCICP-UHFFFAOYSA-N 337.372 1.721 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCCN(C(=O)c2cnccn2)CC1 75039126 NAYJWPUQIQZKLU-UHFFFAOYSA-N 342.374 1.533 0 40 EDAB Cc1c([C@@H](C)NC(=O)[C@H]2CNC(=O)N2)cnn1-c1ccc(F)cc1 89544911 KMOZKIIXRSDZBD-YMTOWFKASA-N 331.351 1.178 0 40 EDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](C)(O3)[C@@H]2C1=O 408727178 DQTNEDSPODDDHR-ZXFNITATSA-N 327.336 1.731 0 40 EDAB CN1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)C3CC3)CC2)C1 306123442 ANAMXKFZMSESGP-UHFFFAOYSA-N 341.415 1.711 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CC)ccc1OCC 408698516 QLQCAQWTCJNEAK-NSHDSACASA-N 328.434 1.912 0 40 EDAB Fc1cnc(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)nc1 353276643 MLRIXTFAVYAMPZ-UHFFFAOYSA-N 328.273 1.751 0 40 EDAB CC(C)c1nsc(N2CC[C@@H](Nc3ccc4nccn4n3)C2)n1 547694731 KWHIMXBIWKWLAI-LLVKDONJSA-N 329.433 2.395 0 40 EDAB Cc1nn(C(F)F)cc1S(=O)(=O)NC[C@@H](C)Cn1cccn1 36615033 LHPUFZAWSIGWHO-SECBINFHSA-N 333.364 1.398 0 40 EDAB CC(C)(C)[S@](=O)CCNC(=O)c1ccccc1NS(C)(=O)=O 79001866 AMIATQDBEWDVJB-NRFANRHFSA-N 346.474 1.335 0 40 EDAB CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408598167 XOMNOJMFWBXVCE-SNVBAGLBSA-N 348.852 1.932 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](O)C(=O)OC(C)(C)C)cc1 3851706 YMHMOFFBDWZNNQ-YPMHNXCESA-N 329.418 1.364 0 40 EDAB biogenic CCOc1ccc(NC(=O)c2ccc[nH]2)cc1S(=O)(=O)N(C)C 32744720 JYADRVPUZZOEIX-UHFFFAOYSA-N 337.401 1.916 0 40 EDAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCc1ccccc1C(N)=O)CS2 78768708 CJSMHWWJGJORHH-WBMJQRKESA-N 334.397 1.283 0 40 EDAB CC(=O)N1CCCN(c2cc([C@@H]3CCN3C(C)=O)nc(C)n2)CC1 72387189 YYYDXRZQULWKSI-INIZCTEOSA-N 331.420 1.137 0 40 EDAB CN(Cc1cnccn1)C(=O)CN1CCOc2ccc(Cl)cc21 73797574 XCFUOFFRCFVGQQ-UHFFFAOYSA-N 332.791 1.987 0 40 EDAB COc1cc(CN2CC[C@H](NC(=O)c3n[nH]nc3C)C2)cc(OC)c1 189254327 TZPSZZLJROWHPB-ZDUSSCGKSA-N 345.403 1.135 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C)c1csc(C)n1 78663478 NPHRYXZNAXYSFB-SNVBAGLBSA-N 348.494 1.483 0 40 EDAB CS(=O)(=O)[C@@H]1[C@H](C(N)=S)[C@@H]1c1ccc(Br)cc1 218198853 ZPJOFTHBLNKGLK-AEJSXWLSSA-N 334.260 1.862 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H](C(=O)O)c2ccnn2C)sc1C 566115981 IBSYLTAPDAUEKR-LLVKDONJSA-N 329.403 1.203 0 40 EDAB CN(C)c1ncc(CN2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cn1 72355270 OGQIXCAVXXOCFI-GOSISDBHSA-N 347.463 1.192 0 40 EDAB O=C1N[C@]2(CCCN(C(=O)c3cscn3)C2)Nc2ccccc21 72347526 DDQNAPTVESXPCZ-INIZCTEOSA-N 328.397 1.931 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(C)cc1 218460165 WLUYELGZVMMBFV-DZKIICNBSA-N 325.430 1.404 0 40 EDAB CC(C)c1cc(NC(=O)C2=NN(C)C(=O)CC2)n(-c2ncccn2)n1 78717274 MZVQLSKBGJFKIE-UHFFFAOYSA-N 341.375 1.332 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC(CCN2CCOCC2)CC1 61648603 OUKSZYQPCVGTTL-UHFFFAOYSA-N 346.427 1.990 0 40 EDAB CCS(=O)(=O)N(C)c1ccc(Cc2ncc(C(=O)O)c(C)n2)cc1 226106469 NOFMVZCXTVWLNM-UHFFFAOYSA-N 349.412 1.860 0 40 EDAB Cc1cnc2n(c1=O)C[C@H](C(=O)Nc1ccc3c(c1)OCO3)CS2 85473709 ADXBCGRWPICFGI-JTQLQIEISA-N 345.380 1.641 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN([C@H](C(=O)O)c2ccccc2C)C1 571571406 RJCBORHWFOIADZ-JSGCOSHPSA-N 326.418 1.134 0 40 EDAB C[C@@H](O)CNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 192437791 NWQDJUBTKZNRMH-NVXWUHKLSA-N 334.464 1.045 0 40 EDAB CC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@@H]1CCCS1(=O)=O 582796107 JXIQCJCJLMWYJT-ZDUSSCGKSA-N 341.385 1.688 0 40 EDAB COCCN1C(=O)C[C@H]2[C@H]1CCN2C(=O)NCc1cccc(F)c1 96245817 IRZZTJFSLKXILT-CABCVRRESA-N 335.379 1.357 0 40 EDAB Cn1cc(N2CC[C@]3(CCCN(Cc4nccs4)C3)C2=O)cn1 96048778 NZEMBFNTFRTQHK-INIZCTEOSA-N 331.445 1.896 0 40 EDAB C[C@@H](CN1CCOCC1)OC(=O)c1cn(C)nc1-c1ccccc1 96502345 YCRTWQQPDYKXQH-AWEZNQCLSA-N 329.400 1.965 0 40 EDAB CN1CCN(c2ccc(F)cc2C(=O)Nc2ncccc2O)CC1 97371177 VYOSZIOZXVZRRZ-UHFFFAOYSA-N 330.363 1.930 0 40 EDAB CCN1CC2(CCN(C(=O)c3ccc(C)o3)CC2)[C@H](COC)C1=O 96206024 OSZINPSNAVQFDP-CQSZACIVSA-N 334.416 1.935 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)N4CCOCC4)C[C@H]3C2)cs1 96038521 AGMACSAXKNBEQO-OKILXGFUSA-N 336.461 1.267 0 40 EDAB c1ccc(CN2CCC[C@@]3(COCCN(c4ncccn4)C3)C2)nc1 96049519 HHYGPTAFMKNFMP-LJQANCHMSA-N 339.443 1.991 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)N2CCC[C@H](OCC3CC3)C2)cc1 582298881 IFXFBQARCGGFQU-AWEZNQCLSA-N 339.413 1.965 0 40 EDAB Cn1nnnc1COc1ccc(CC(=O)NCc2ccccc2)cc1 96101414 QMHCPKUTIUXFQT-UHFFFAOYSA-N 337.383 1.648 0 40 EDAB COc1cc(N2CCc3ncnc(N4CCCC4)c3CC2)ncn1 96255446 DUWPIIGDJOWACF-UHFFFAOYSA-N 326.404 1.481 0 40 EDAB Cn1nnnc1COc1ccc(CC(=O)Nc2nccs2)cc1 96101409 YINGNQYAOBYBQD-UHFFFAOYSA-N 330.373 1.427 0 40 EDAB O=C(c1cnoc1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107385 PXZKJPPWPZQQEG-PBHICJAKSA-N 329.356 1.912 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 96073662 VQMAHXVRIYVMRE-YJBOKZPZSA-N 342.399 1.658 0 40 EDAB Cc1ncsc1C(=O)NCCN1Cc2cc(F)ccc2OCC1=O 238933562 VHHXKLNCLWHUMN-UHFFFAOYSA-N 349.387 1.742 0 40 EDAB CC(C)(C)c1n[nH]cc1CN1CCN(C(=O)N2CCOCC2)CC1 96489553 QHCHQIJIPZZNJM-UHFFFAOYSA-N 335.452 1.277 0 40 EDAB Cn1cc([C@@H]2CC(=O)NC23CCN(Cc2cccnc2)CC3)cn1 96061492 QIMMLLUAMHBISB-INIZCTEOSA-N 325.416 1.453 0 40 EDAB Cn1cc(C(=O)N2CC3(C[C@@H](OCC4CCOCC4)CCO3)C2)cn1 248145597 RUIBCGKSDBCHIE-INIZCTEOSA-N 349.431 1.237 0 40 EDAB Cc1csc(CN2Cc3cncn3[C@@H](COCC(=O)N(C)C)C2)n1 248037453 UYVPPSQWAMSMAJ-CQSZACIVSA-N 349.460 1.310 0 40 EDAB O=C(COC[C@@H]1CCOC12CN(Cc1cccnc1)C2)N1CCCC1 247733795 JLBZXNDVLKOROO-KRWDZBQOSA-N 345.443 1.312 0 40 EDAB C[C@@H](C(=O)NCc1ccn(C)n1)n1cc(COc2ccccc2)nn1 257173267 IAIVGYAMTMHEKV-ZDUSSCGKSA-N 340.387 1.468 0 40 EDAB COCCOc1cccc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c1 585130605 WCXJEEMBDZNXST-WMLDXEAASA-N 335.448 1.076 0 40 EDAB CN(C(=O)c1ccnc(Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 257317079 VIHGNIDNRBFKGM-KRWDZBQOSA-N 344.436 1.932 0 40 EDAB CCN(C)C(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1OC 257266861 MEWPSOWRRHEUKK-PBHICJAKSA-N 334.416 1.710 0 40 EDAB CC(=O)N1CCN(Cc2ccc(F)cc2Cl)C[C@@H](C(N)=O)C1 257203457 AQDGSQXPNDMXLK-GFCCVEGCSA-N 327.787 1.245 0 40 EDAB O=C(O)c1cccc(O[C@@H]2CN(Cc3ccc(F)cn3)C[C@H]2O)c1 257210187 BTPIJEWIKUCHAS-HZPDHXFCSA-N 332.331 1.543 0 40 EDAB CC1(C)CCN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)CC[S@@]1=O 599992875 JVFLLWMCTYGBDB-HXOBKFHXSA-N 340.489 1.443 0 40 EDAB Cc1cc(NC(=O)N[C@@H]2CNC(=O)C2)cnc1N1CCCC[C@H]1C 390835491 OPMSEWAGUIWFQY-OCCSQVGLSA-N 331.420 1.779 0 40 EDAB CCS(=O)(=O)N1CCCc2cc(NC(=O)c3cn(C)nn3)ccc21 96098391 HTSZMLNOBDGJPH-UHFFFAOYSA-N 349.416 1.170 0 40 EDAB COc1nc(CNC(=O)Cc2ccccc2F)nc(N2CCCC2)n1 575603351 FASCWMIAJCSBSK-UHFFFAOYSA-N 345.378 1.478 0 40 EDAB CNC(=O)c1cnn2c([C@H]3CCCCN3C(=O)C(C)C)ccnc12 585182463 ZHRXTNNBHZYQMR-CYBMUJFWSA-N 329.404 1.799 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCC2CCOCC2)C1 585095247 MCTSRULYBXMQTJ-MRXNPFEDSA-N 348.447 1.499 0 40 EDAB O=C(C[C@@H]1CN(c2ncccn2)Cc2cccn2C1)NCC1CC1 585099063 HFSLACYEHQYNJB-HNNXBMFYSA-N 325.416 1.831 0 40 EDAB COc1ccc([C@H]2NC(=O)[C@@H](c3ccc(OC)cc3)NC2=O)cc1 144514430 ZWGLQYYQYWBZRJ-HZPDHXFCSA-N 326.352 1.732 0 40 EDAB CCOC(=O)c1nccc(N2CCN(c3cncc(OC)c3)CC2)n1 585140516 GQWBBHICHABAIN-UHFFFAOYSA-N 343.387 1.384 0 40 EDAB CC[C@@H](C)NC(=O)N1CCN(c2ncc(Br)cn2)CC1 42843736 VPAAKBYJIBXFQR-SNVBAGLBSA-N 342.241 1.869 0 40 EDAB C[C@H](CNC(=O)[C@](C)(c1ccccc1)N1CCCC1)N1CCOCC1 65517077 HOSOLYLLDONJRU-XLIONFOSSA-N 345.487 1.835 0 40 EDAB CN1CCN(CCCCNS(=O)(=O)c2ccccc2F)CC1 65588710 DSKVINKQINOTBS-UHFFFAOYSA-N 329.441 1.132 0 40 EDAB C[C@H]1CN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC(C)(C)O1 65607910 YIOMPIGRHUSGPX-NSHDSACASA-N 326.418 1.698 0 40 EDAB CS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H](C2CC2)C(F)(F)F)CC1 573284875 NHGBPCUIFKNBMI-WDEREUQCSA-N 342.383 1.936 0 40 EDAB COC(=O)[C@H]1Cc2ccc(O)cc2CN1CCN1C[C@H](C)O[C@H](C)C1 1616032811 WZWRBLJENXDPDA-QWQRMKEZSA-N 348.443 1.401 0 40 EDAB CCn1c(CCNC(=O)c2ccc3c(c2)OCO3)nnc1SC 5001769 CMWGMXYVNDQYGJ-UHFFFAOYSA-N 334.401 1.721 0 40 EDAB O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc2c(c1)OCO2 5442024 JUWQAKWDVACNDV-UHFFFAOYSA-N 339.311 1.409 0 40 EDAB CC(C)c1ccc(C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cc1 5847863 OQRNXFOZDUCVTH-NMWPEEMBSA-N 328.368 1.617 0 40 EDAB CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1 5978875 DQBYMKGKUWAOPF-CYBMUJFWSA-N 342.461 1.929 0 40 EDAB CSc1nc(C)c(CC(=O)NCc2n[nH]c3c2CCCC3)c(=O)[nH]1 12147355 OQPUVBQBBRCQPX-UHFFFAOYSA-N 347.444 1.261 0 40 EDAB COc1ncc(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cn1 12188208 UWXIUXLVCAVLNX-UHFFFAOYSA-N 343.383 1.698 0 40 EDAB O=S1(=O)CC[C@@H](NC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 12739557 FZHKONYHLVEDDV-HLLBOEOZSA-N 339.457 1.218 0 40 EDAB Cc1csc(=O)n1CCC(=O)OCC(=O)NCc1ccccc1 12928759 OHMUZOHEKXXKPY-UHFFFAOYSA-N 334.397 1.468 0 40 EDAB COc1ccc(CC(=O)N2CCN(c3nccn3C)CC2)cc1OC 13693540 KTVXVAMNFZJYBR-UHFFFAOYSA-N 344.415 1.329 0 40 EDAB CCn1cc(C(=O)N2CCOCC2)c(=O)c2cc3c(cc21)OCO3 13733918 CKHZJKCNNOOONJ-UHFFFAOYSA-N 330.340 1.223 0 40 EDAB COc1ccc(-c2ccc3c(c2)C(=O)N2C[C@H](O)C[C@H]2C(=O)N3)cc1 15708828 UJBFZUCKXNVOEM-DYVFJYSZSA-N 338.363 1.890 0 40 EDAB biogenic,in-vitro COC(=O)c1sc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)nc1C 17071204 XBBHGEXXTLHTJJ-KDXUFGMBSA-N 340.357 1.055 0 40 EDAB COc1ncc(CN2CC[C@@]3(CCc4ccccc4C(=O)N3)C2)cn1 19572097 MKZORNWAQYOHNH-IBGZPJMESA-N 338.411 1.806 0 40 EDAB Cc1c(C(=O)NC[C@H]2CCc3ccccc32)nnn1C1CCNCC1 157671651 VKGGDGQVZJDRCG-OAHLLOKOSA-N 339.443 1.971 0 40 EDAB O=C(NCc1ccco1)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 12229797 XPLIDKLZYPJWKU-GFCCVEGCSA-N 349.412 1.643 0 40 EDAB Cn1c(Cl)cnc1COC(=O)Cc1n[nH]c(=O)c2ccccc12 12400000 LWOGJMPCASFVHW-UHFFFAOYSA-N 332.747 1.596 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(c2nc(C(C)C)ns2)CC1 1888890500 NYJSLJOEJDANON-LBPRGKRZSA-N 325.482 1.697 0 40 EDAB CN(C)c1ccc(N2CCN(c3nnc(C4CC4)s3)CC2)nn1 1888901081 ABURYBHBXKPJLB-UHFFFAOYSA-N 331.449 1.598 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(c2nc3cnccc3s2)C1)C1CC1 1889119412 URCXFRLSUWCEHF-SNVBAGLBSA-N 338.458 1.742 0 40 EDAB O=C([C@H]1CCOC1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1055725387 UNODVYCYDRVCHU-JTQLQIEISA-N 330.310 1.181 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N1CC[C@@H](c2ncon2)C1 238836995 GYGGTTIRNLJULL-MRVPVSSYSA-N 343.386 1.096 0 40 EDAB CN(CC(=O)N(C)C)Cc1cc2c(cc1Br)OCCO2 26882662 BDALPXVSCBKGPG-UHFFFAOYSA-N 343.221 1.740 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@H](NC4CCCC4)CS3)C2)n(C)n1 2056223597 VGUXXUAACPXPRJ-AWEZNQCLSA-N 334.489 1.961 0 40 EDAB CCc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC(C)C)C2)cn1 1565545435 FBTOVLDQZPLKEE-IXDOHACOSA-N 345.443 1.646 0 40 EDAB CC(=O)N1N=C(C)C[C@]12CC[C@@H]1CN(C(=O)CC3(O)CCC3)C[C@@H]12 1565556226 ZJWZEEZTXOPIIO-VKJFTORMSA-N 333.432 1.527 0 40 EDAB CCCCn1c(=O)c2c(nc3n(CCOC)c(C)c(C)n23)n(C)c1=O 4314349 DEAVJIGHBOUFJO-UHFFFAOYSA-N 347.419 1.213 0 40 EDAB CCSc1nnc(NC(=O)Cn2nnc3ccccc3c2=O)s1 9025661 VAYVIZOYMZTNDW-UHFFFAOYSA-N 348.413 1.394 0 40 EDAB COc1cccc(OC)c1C(=O)N1c2ccccc2C[C@H]1C(N)=O 9820417 BPFIQMAIRBCHIL-ZDUSSCGKSA-N 326.352 1.761 0 40 EDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(OCC(F)(F)F)C1 390827121 UNVJAOXJQUTMIE-SECBINFHSA-N 347.289 1.972 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)N(Cc2cccnc2)C2CC2)CC1 28517764 HNTVCDFFICVAFF-UHFFFAOYSA-N 337.445 1.244 0 40 EDAB Cc1ccc2ncc(C(=O)N[C@@H]3CS(=O)(=O)c4ccccc43)n2c1 90594846 XMRRGPBHEZMSPQ-CYBMUJFWSA-N 341.392 1.901 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)c1 248460 AFFSMJKYUVODFX-LLVKDONJSA-N 329.374 1.332 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nn3cnnc3S)C2)cc1 28875201 YGGVLUKDCGWRAK-ZDUSSCGKSA-N 345.428 1.498 0 40 EDAB c1cnc(-c2nc(CN3CCN(C[C@@H]4CCCO4)CC3)cs2)nc1 40555411 DYYRARBIKSNBGA-HNNXBMFYSA-N 345.472 1.897 0 40 EDAB Cc1ccc([C@@](O)(CCNC(=O)c2ccc(=O)[nH]c2)C(F)(F)F)o1 40512137 AJBOIVHPQGBRRX-AWEZNQCLSA-N 344.289 1.846 0 40 EDAB O=C1c2ccccc2C(=O)N1C[C@H](O)CN(CCO)c1ccccc1 31773299 BCZFWKSQFZKEKU-OAHLLOKOSA-N 340.379 1.142 0 40 EDAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)NC1CC1 32072839 NZOUJSDAXCVMKK-DYVFJYSZSA-N 343.427 1.459 0 40 EDAB Cc1cc(=O)[nH]c2nnc(SCC(=O)Nc3ccc(F)cc3)n12 4249883 JRBZNUSMDVPBPE-UHFFFAOYSA-N 333.348 1.596 0 40 EDAB Cn1ccs/c1=N/C(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 101271438 BOAWDTRPJBLNGJ-WMQDPJMESA-N 330.413 1.604 0 40 EDAB COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)NCCCO)cc1 4891542 CIQAYMFAJITFFN-QINSGFPZSA-N 344.367 1.558 0 40 EDAB CCOCCCNC(=O)CN1CCC(O)(c2ccccc2F)CC1 4967669 XJHZWNNRMAGXNC-UHFFFAOYSA-N 338.423 1.652 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2cccnc2)cc1 6625755 OQDSUMMOTFAHHR-GFCCVEGCSA-N 349.412 1.073 0 40 EDAB CN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(O)cc2)c1 6680251 CDDHKGPJTRWMII-UHFFFAOYSA-N 326.399 1.956 0 40 EDAB CC(C)N1C[C@@H](C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1=O 32243809 OXPUSHCTJMTWJC-LBPRGKRZSA-N 342.399 1.138 0 40 EDAB Cc1cc(C)c(NC(=O)CN(C)C(=O)Cn2ccccc2=O)c(C)c1 7525489 GJDZMCWSXAEJCA-UHFFFAOYSA-N 341.411 1.871 0 40 EDAB C[C@H](NC(=O)COC(=O)c1ccn(C)c(=O)c1)[C@H]1C[C@H]2CC[C@H]1C2 108066932 CSUTXTLJIGHPAJ-PWNZVWSESA-N 332.400 1.483 0 40 EDAB CCCn1c(S(=O)(=O)Cc2ccc(F)cc2Cl)n[nH]c1=O 60330527 VJVXBHJNNRPZEB-UHFFFAOYSA-N 333.772 1.748 0 40 EDAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)NC1CCCC1 2661795 GWZVXUBTTXOKFS-LFIBNONCSA-N 330.384 1.766 0 40 EDAB CCOc1cc(CNCCCNC)cc(Cl)c1OCC(N)=O 8253758 RYYQWCVUSOPMPI-UHFFFAOYSA-N 329.828 1.302 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)c(C)c1 8379009 KVQORIWDAVLOLB-HIFRSBDPSA-N 336.457 1.792 0 40 EDAB Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)CC(F)(F)F)cc1 32927614 XVNVCRKIZDNZFI-UHFFFAOYSA-N 338.351 1.636 0 40 EDAB CCN(C(=O)/C=C/c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 32903391 CNAZVOIZKCQXGY-BPJJOFIESA-N 337.397 1.464 0 40 EDAB CN1CCC[C@H](N2CCN(CCC(=O)Nc3ccccc3)CC2)C1 71909040 COZDHFKPKHNAFI-SFHVURJKSA-N 330.476 1.727 0 40 EDAB COc1cc(F)ccc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 103071657 ABUURBBDRLPNGQ-NXPNQGMMSA-N 344.342 1.580 0 40 EDAB O=C(c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1)N1CCOCC1 2809112 MQMLQADTQBVSMF-HNNXBMFYSA-N 349.456 1.624 0 40 EDAB CC(=O)c1ccc(N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 20367087 KEYKQWMYBDKDNY-UHFFFAOYSA-N 329.444 1.880 0 40 EDAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[C@@H](C(N)=O)C1 53894633 RBZFGXJKVXYORC-CYBMUJFWSA-N 329.425 1.990 0 40 EDAB COCCN1CCN(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)CC1 22917327 GGECIZDRLGDSSH-QGZVFWFLSA-N 333.476 1.745 0 40 EDAB CCCNC(=O)[C@H](CC(C)C)NC1=NS(=O)(=O)c2ccccc21 23983544 WUXLECWYZVVMGY-ZDUSSCGKSA-N 337.445 1.666 0 40 EDAB O=C(c1cn2ccccc2n1)N1CCC[C@H](C(=O)N2CCOCC2)C1 55233214 VYRQZMIQSSRLBQ-AWEZNQCLSA-N 342.399 1.045 0 40 EDAB O=C(NCCCN1CCCCC1)[C@H](Cc1ccccc1)n1cnnn1 89830020 RXDQJFQSYTUFNO-KRWDZBQOSA-N 342.447 1.449 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccc(C)nc2)c1 25129094 DBFSDCDYRSKODE-UHFFFAOYSA-N 347.440 1.715 0 40 EDAB COc1ccc(C[C@@H]2CCCN2C(=O)CN(C)S(C)(=O)=O)cc1 55613800 SLRLOGVSWKMIHK-AWEZNQCLSA-N 340.445 1.120 0 40 EDAB COc1cc([C@@H](C)NC(=O)[C@H]2CNC(=O)N2)ccc1OC1CCCC1 89904737 ZGBUPMIAYQZSMZ-BXUZGUMPSA-N 347.415 1.875 0 40 EDAB Nc1nccnc1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 25327247 JMKBBOMZMYGXJM-UHFFFAOYSA-N 325.372 1.225 0 40 EDAB O=S(=O)(Nc1ccccc1-n1cnnn1)c1c[nH]c2ncccc12 57118473 SQCHGIRYOLVODV-UHFFFAOYSA-N 341.356 1.339 0 40 EDAB Cn1c(=O)c2sccc2n(CC(=O)NCc2ccc(F)cc2)c1=O 57426467 XAAHXNLREYEBKW-UHFFFAOYSA-N 347.371 1.217 0 40 EDAB COc1ccccc1N[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 57748134 RDFCMDBCWSLMHU-NWDGAFQWSA-N 326.418 1.141 0 40 EDAB O=C1CN(c2ccc(NC(=O)Cc3cccc(F)c3)cn2)CCN1 27259156 NNEGJJZHYWHGLB-UHFFFAOYSA-N 328.347 1.338 0 40 EDAB CC(=O)N1CCC(C(=O)NCc2ccc(Cn3cccn3)cc2)CC1 12625917 QJYATMPTZCZEMG-UHFFFAOYSA-N 340.427 1.806 0 40 EDAB CCc1nc2ccccc2n1CC(=O)NC[C@@H]1CCS(=O)(=O)C1 44720275 ARLLBOYJWTWXCZ-LBPRGKRZSA-N 335.429 1.150 0 40 EDAB Cn1ccnc1CN(C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C1CC1 58180559 QPUMUHBYSJDDOD-AWEZNQCLSA-N 330.432 1.560 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCCN(c3nccs3)CC2)on1 58158215 OSBUPBKALAFQEB-LBPRGKRZSA-N 335.433 1.979 0 40 EDAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1nnc2n1CCC2 89913806 ZMTRLHRTQFXKHG-LLVKDONJSA-N 328.372 1.763 0 40 EDAB CCN1CCN([C@H](C)CNC(=O)NCCc2csc(C)n2)CC1 89977298 AEXLDAVSKUKEQY-CYBMUJFWSA-N 339.509 1.319 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)CCn1c(=O)n(C)c2ccccc21 44919458 DWHDJNVDJXOGMH-CYBMUJFWSA-N 346.431 1.007 0 40 EDAB Cn1cnnc1CNC(=O)[C@@H](c1ccccc1)N1CCSCC1 58392932 NRFKPBIICLNUCB-OAHLLOKOSA-N 331.445 1.221 0 40 EDAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(=O)[nH]c1 48290725 CVBJLHMVGSJLGJ-OAHLLOKOSA-N 325.368 1.468 0 40 EDAB CN1CCCN(c2ccc(NC(=O)c3ccc[nH]c3=O)cc2F)CC1 48366999 SJWVPEZAOAQCHY-UHFFFAOYSA-N 344.390 1.908 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)Cn2ncc3ccccc3c2=O)C12CCC2 89985719 JADVKEYQFZYGQO-HZPDHXFCSA-N 341.411 1.860 0 40 EDAB O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 12983898 DMKIVMAXJYLMGT-ZXCPCRMDSA-N 349.330 1.902 0 40 EDAB CC(C)(C)OC(=O)N1CCN(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 8777978 PISZJWIEFRPUKK-OKILXGFUSA-N 349.431 1.448 0 40 EDAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(c2ccccn2)CC1 8112928 XNEPRVKKHJBJMF-UHFFFAOYSA-N 328.416 1.480 0 40 EDAB O=c1c2cc(Br)cc(Br)c2ncn1CCO 69150416 VTPKFLCDGLHEQH-UHFFFAOYSA-N 347.994 1.914 0 40 EDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OC)c(OC)c1 4009241 SLDHHOKXQQYWEC-ZDUSSCGKSA-N 331.332 1.152 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](Cn3nc(C)cc3C)C2)on1 69374158 DFMQPOHJRNCYDC-LSDHHAIUSA-N 347.419 1.524 0 40 EDAB CN(Cc1ccccc1)C(=O)CN1CCN(Cc2nccn2C)CC1 69486303 YQBYGMGLINCOKH-UHFFFAOYSA-N 341.459 1.196 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1NC(=O)c1ccc(=O)n(C)n1 65530813 IAGRLPMBOWKFEW-UHFFFAOYSA-N 335.385 1.215 0 40 EDAB COC(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cc1 65540322 KYUWQQFKDYFVJC-CQSZACIVSA-N 348.424 1.611 0 40 EDAB Cc1noc(C)c1CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1cnn(C)c1 69492172 XVVJGRMQRXXNAL-SWLSCSKDSA-N 332.360 1.589 0 40 EDAB CCOC(=O)[C@H](C)n1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1 69663226 BULBBBYXAVBWFG-DZGCQCFKSA-N 345.403 1.371 0 40 EDAB O=C(Nc1cccc(Cl)c1)N1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1 69615604 NQRGYQUPLVKKIG-UHFFFAOYSA-N 349.778 1.346 0 40 EDAB CC(C)c1nc([C@@H]2CCCN2CCn2nc3ccccn3c2=O)no1 75573276 GQYDOOVVEDABRL-ZDUSSCGKSA-N 342.403 1.840 0 40 EDAB COc1cc(CNC(C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc(OC)c1 6561952 QOOLJSBFZMKLKC-UHFFFAOYSA-N 347.371 1.118 0 40 EDAB Cc1ccc(NC(=O)COC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1C 6584334 LVPGNPUMCMPYQM-ZDUSSCGKSA-N 339.413 1.610 0 40 EDAB Cc1ccc([C@@H](NC(=O)CN[C@H]2CCc3ncnn3C2)C2CC2)cc1 69743516 NSGOEQZURRABOV-QFBILLFUSA-N 339.443 1.758 0 40 EDAB CC[C@H](C)NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O 67316995 LLXPILYHHMSRPO-NSHDSACASA-N 349.460 1.758 0 40 EDAB CCNc1nnc(SCC(=O)NC(=O)NCC(F)(F)F)s1 7248959 YHCXCXFRTRLFHA-UHFFFAOYSA-N 343.356 1.450 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@](CCC)(c2ccccc2)C1=O 7474032 UUXRMETWOKHDIJ-QGZVFWFLSA-N 342.403 1.831 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2cccs2)NC(=O)N[C@H]1CC 7533993 PCMRXDWPSHTEDN-VIFPVBQESA-N 338.385 1.814 0 40 EDAB Cc1n[nH]c(-c2ccc(NC(=O)Cn3nnnc3C(C)C)cc2)n1 76093365 XFCONRHXISKXDT-UHFFFAOYSA-N 326.364 1.529 0 40 EDAB CCOCCCNC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 22278872 ODYLIMZOEHDHKM-UHFFFAOYSA-N 344.795 1.369 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)N1CCC[C@@H]2CCC[C@H]21 76086077 OTEHRSPBXUCLKD-LSDHHAIUSA-N 343.431 1.860 0 40 EDAB CC(=O)N[C@H](C)c1nc2ccccc2n1CC(=O)NC[C@H]1CCCO1 9375988 CJLZHIJSRTVIGT-TZMCWYRMSA-N 344.415 1.529 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1O)C2=O 9479051 NEJTVANTNZVCFO-APPDUMDISA-N 331.372 1.831 0 40 EDAB Cc1nc(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n[nH]1 76017392 ASGBXFWWMTYBTA-UHFFFAOYSA-N 349.822 1.490 0 40 EDAB C[C@H](C(=O)NCC(=O)Nc1cccnc1)N1CCc2ccccc2C1 71893696 XWNRQCQNTYUNJB-CQSZACIVSA-N 338.411 1.583 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cccn2-c2ncccc2Cl)CC1 71871478 IDXQOQKPVAXKTG-ZDUSSCGKSA-N 348.834 1.664 0 40 EDAB CCCN(Cc1cnn(C)c1)C(=O)NCCN1C(=O)CSC1=O 71885943 XEICLQVDVFBBEF-UHFFFAOYSA-N 339.421 1.037 0 40 EDAB Cc1ccc(N2CCCN(C(=O)c3cnn4cccnc34)CC2)nn1 71860372 VWDYFKHWDGIJQT-UHFFFAOYSA-N 337.387 1.180 0 40 EDAB NC(=O)CSCC(=O)N1CCc2c(Br)cccc2C1 71851744 KJTIUBVFXALFNY-UHFFFAOYSA-N 343.246 1.552 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2ccc(C)n2C)C(N)=O)cc1 71841592 LNQIKHBOVPYQJE-OAHLLOKOSA-N 343.427 1.806 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC(Nc2cccnn2)CC1 71863444 AEQWUEMEEMINJS-DZGCQCFKSA-N 334.420 1.464 0 40 EDAB Cc1ncc(CN2CC[C@H](Nc3ccc4nnnn4n3)[C@H](C)C2)s1 72293795 KDRWUMJNCIGMDU-MFKMUULPSA-N 344.448 1.607 0 40 EDAB O=C(CN1CCOCC1)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 97049086 YOCXCSLQZYDUEK-INIZCTEOSA-N 348.834 1.574 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccc(Cl)c(Cl)c1 97099930 BIXMNQQFHUKAQW-SKDRFNHKSA-N 347.198 1.540 0 40 EDAB O=c1c2ccncc2ncn1C[C@H](O)COc1ccc(Cl)cc1 97080165 ZUKTXFLCOJKOQT-LBPRGKRZSA-N 331.759 1.885 0 40 EDAB CCc1nc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)n[nH]1 97096287 CBVOSURURKSDFD-UHFFFAOYSA-N 341.341 1.498 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)N1CC[C@@H](N2CCCC2)C1 78737158 CKTPRQHYLIUVST-OAHLLOKOSA-N 331.416 1.838 0 40 EDAB C[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(S(N)(=O)=O)s1 95396277 OXKXQQWIAPANGI-JQWIXIFHSA-N 346.474 1.607 0 40 EDAB C[C@@]1(c2ccc(NC(=O)c3cncc(O)c3)cc2)NC(=O)NC1=O 95395215 ONYDISZPGHZIFX-INIZCTEOSA-N 326.312 1.094 0 40 EDAB COC(=O)[C@H](c1cccc(Cl)c1)N1CCC(O)(C(=O)OC)CC1 95455792 CMAXCQMVFRAMEY-ZDUSSCGKSA-N 341.791 1.554 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC2Cc3ccccc3C2)cc1 95420710 PHXBXRFGPSPJCC-UHFFFAOYSA-N 330.453 1.993 0 40 EDAB CCOC(=O)Cn1c(=O)cc(C)n(-c2ccc(F)c(Cl)c2)c1=O 98063768 PCFSYBUSYDDNNA-UHFFFAOYSA-N 340.738 1.663 0 40 EDAB C[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)[C@H](O)c1ccc(F)cc1 95972110 YUJCVTDLNZLFNH-BZNIZROVSA-N 341.346 1.653 0 40 EDAB CN(CCCS(=O)(=O)N(C)C)[C@H]1CCCN(c2ccccc2)C1 89319471 VQFQXFNARNGZPX-KRWDZBQOSA-N 339.505 1.869 0 40 EDAB CC(C)n1cnc2ccc(CNc3cc(=O)n(C)c(=O)n3C)cc21 1548520000 OZJYNUMRBJNGQQ-UHFFFAOYSA-N 327.388 1.627 0 40 EDAB CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 408555554 XOHZUYRKNFGNGO-QWHCGFSZSA-N 342.461 1.975 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 33207974 VDTVOFQSUXNSFX-LBPRGKRZSA-N 348.424 1.963 0 40 EDAB CC(C)n1cc(Br)cc1C(=O)N1CCO[C@@H](C(=O)O)C1 43702634 UXFQXYZMPCUWFH-LLVKDONJSA-N 345.193 1.757 0 40 EDAB COCCNc1cc([C@@H]2CN(Cc3coc(C)n3)CCO2)nc(C)n1 72387775 BMEYONAIBPYSNI-INIZCTEOSA-N 347.419 1.713 0 40 EDAB O=C(Cc1ccccc1C(=O)O)NCc1nc(-c2cccnc2)no1 72401558 QKYJHGBCDDEPON-UHFFFAOYSA-N 338.323 1.689 0 40 EDAB CCS(=O)(=O)NCCNC(=O)c1cc2cc(C)ccc2nc1C 31221078 WGAVARYDPNNSSK-UHFFFAOYSA-N 335.429 1.521 0 40 EDAB O=C(O)[C@@H](CO)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 35648695 PPTXETCOLAMKRL-RAJVOEEQSA-N 327.358 1.472 0 40 EDAB COc1ccccc1[C@@H](CC(C)C)NC(=O)N1C[C@@H](O)C[C@H]1CO 185578380 HGXWIYRMYOJLOW-OFQRWUPVSA-N 336.432 1.920 0 40 EDAB CN(C)C(C)(C)CNC(=O)[C@H](Cc1ccccc1)N1CCCOC1=O 78418851 AYBFSWVPDBZVQP-INIZCTEOSA-N 347.459 1.896 0 40 EDAB COC(=O)C12C[C@@H]3C[C@@H](CC(NC(=O)c4ccc(=O)oc4)(C3)C1)C2 44226266 ITBSCAOBBJWEIB-CCHVVGMOSA-N 331.368 1.882 0 40 EDAB COC(=O)c1ccc(C(=O)NCCn2c(C)cc(OC)cc2=O)cc1 225614671 SYSOFJKZGUTWCA-UHFFFAOYSA-N 344.367 1.382 0 40 EDAB Nc1ccc(-c2ccc(N3C(=O)N[C@@H]4CS(=O)(=O)C[C@@H]43)cc2)cc1 40167330 FAGKCBLWLBUXOA-CVEARBPZSA-N 343.408 1.631 0 40 EDAB CO[C@H](C)C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 190220650 DNBIERXCUWOBFD-MRVPVSSYSA-N 338.355 1.631 0 40 EDAB CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(CCc1ccccc1)C2 514289532 NKMKSNSKXMBMJB-VQTJNVASSA-N 343.515 1.690 0 40 EDAB biogenic,in-vitro COc1ccc(C(=O)NCCN(C)C)c(I)c1 96474115 WMGRZQPRESVCME-UHFFFAOYSA-N 348.184 1.591 0 40 EDAB O=C([C@H]1CCCO1)N1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 96238728 DURYVKMPIVKLPJ-CRAIPNDOSA-N 332.375 1.960 0 40 EDAB O=C(COC[C@]12COC[C@H]1CN(Cc1ccco1)C2)N1CCCC1 96108800 UWASBNQKZUMHOH-QAPCUYQASA-N 334.416 1.367 0 40 EDAB Cn1cccc1C(=O)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 96050842 XTSYHMBYCZNJBZ-QGZVFWFLSA-N 325.372 1.084 0 40 EDAB Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCS(=O)(=O)N(C)C)C1 96487381 KBCDQUAYDIULIS-HUUCEWRRSA-N 338.473 1.981 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCO2)C1 97953651 XYZQYKPJOSQKRZ-CWRNSKLLSA-N 335.404 1.292 0 40 EDAB COc1ccc(C[C@@H]2CCCN2C(=O)CN2CCC(=O)NC2=O)cc1 95395231 SYNQPXGMBWCEPY-AWEZNQCLSA-N 345.399 1.171 0 40 EDAB O=C1CC[C@@]2(CCCN(c3ncccn3)C2)N1CCN1CCCC1 96071231 FDMNMWRQJCJHET-GOSISDBHSA-N 329.448 1.534 0 40 EDAB O=C(c1ccc(F)cc1)N1CCn2nnc(COCC3CC3)c2C1 96084272 NAZJTSQHKRXYTN-UHFFFAOYSA-N 330.363 2.000 0 40 EDAB c1csc(CN2CCC[C@]3(COCCN(Cc4cn[nH]n4)C3)C2)n1 96049500 YZMVMVTZKNBQGC-INIZCTEOSA-N 348.476 1.376 0 40 EDAB CCc1ncc(S(=O)(=O)NC[C@H](C(=O)O)c2ccccc2)s1 580870692 WUMRZQBPPDSPSI-NSHDSACASA-N 340.426 1.852 0 40 EDAB C[C@H](Cc1ccc(Br)cc1)NC(=O)CN1CCOCC1 96487364 LRNOCKAMTLRXTB-GFCCVEGCSA-N 341.249 1.829 0 40 EDAB COCC(=O)N1CCC2(CC1)C[C@@H](COC)N(Cc1ccccn1)C2 96240371 WWLVRCUUBJBFFF-KRWDZBQOSA-N 347.459 1.558 0 40 EDAB COCCN1C[C@@H](COC)C2(CCN(C(=O)CC(C)C)CC2)C1 248259144 LYAWMDVZDQGVOH-INIZCTEOSA-N 326.481 1.866 0 40 EDAB C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C 249508273 HXPFSAXLEJOMRS-SYQHCUMBSA-N 325.453 1.652 0 40 EDAB CCn1nncc1CNC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 529036916 VPRLXVVUTZGMGL-UHFFFAOYSA-N 337.405 1.332 0 40 EDAB Cc1cc2nc(C3CCN(C(=O)[C@H]4CC(=O)N(C)C4)CC3)ccn2n1 257300595 RUYYFQLVAFRTHI-AWEZNQCLSA-N 341.415 1.222 0 40 EDAB O=C(CCn1ccnc1)N1CCC(c2cc(O)n3nccc3n2)CC1 257269770 MRIBCWKOPOEBLJ-UHFFFAOYSA-N 340.387 1.428 0 40 EDAB c1cnc(N2CC[C@H]3OCCN(Cc4cccnc4)[C@@H]3CC2)nc1 253603637 ZXQQEGDPMKIJRO-IAGOWNOFSA-N 325.416 1.741 0 40 EDAB C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1 585085915 WGTNZIQQZAXZSK-IVMMDQJWSA-N 344.459 1.840 0 40 EDAB CC1CCN(S(=O)(=O)Nc2ccn(-c3ncccc3F)n2)CC1 585083492 SRCUGKZWRAJQPP-UHFFFAOYSA-N 339.396 1.795 0 40 EDAB O=C(CCCN1CCCC1=O)N[C@@H]1CCCN(c2ccccn2)C1 257263060 LOFGXLKPGJVDKT-OAHLLOKOSA-N 330.432 1.569 0 40 EDAB CC(C)S(=O)(=O)N1CCCC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257202152 AKSIYBFFKFAUAF-SNVBAGLBSA-N 335.451 1.078 0 40 EDAB O=C(c1ccc2c(c1)CCC2)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257280443 OKWNZYIIEKIDKE-OALUTQOASA-N 344.455 1.473 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)n1 257293740 QQZDRFLAYZOXBU-OAHLLOKOSA-N 327.388 1.714 0 40 EDAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3cc(C)nc(O)n3)C2)n1 257259265 KXNXADIPQQZWEM-CQSZACIVSA-N 341.415 1.935 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)CN(C)C2CCCC2)n1 257252041 JTIKPLWKYAEKEQ-HNNXBMFYSA-N 334.420 1.265 0 40 EDAB NC(=O)CSCC(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 598117085 RGRUFZYDGBYCST-QMMMGPOBSA-N 348.350 1.377 0 40 EDAB CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 575426556 VRLVDDDGLGNUQK-AWEZNQCLSA-N 347.458 1.283 0 40 EDAB Cc1cc([C@@H](NS(=O)(=O)c2c(C)n[nH]c2C)C(=O)O)ccc1F 580309055 BQKNEXPVJYCTKE-GFCCVEGCSA-N 341.364 1.578 0 40 EDAB Cn1nccc1C(=O)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 585100914 FWEIZXLWLIPGKI-GOSISDBHSA-N 339.399 1.474 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 585280657 MVOJSOCBCZCSKV-CVEARBPZSA-N 349.456 1.343 0 40 EDAB O=C(NC[C@@H]1CN(Cc2ccncc2)Cc2ccnn21)N1CCCC1 585112084 KROUZMHEECCRJW-QGZVFWFLSA-N 340.431 1.640 0 40 EDAB COCC(=O)NC[C@@H]1CCn2nccc2CN1Cc1c(C)noc1C 585096958 FZCQTRAWLKVHLY-AWEZNQCLSA-N 347.419 1.025 0 40 EDAB O=C(O)CS(=O)(=O)CCN1CCC[C@@H](c2ccc(F)c(F)c2)C1 863532751 RMQXPACDRBXHIH-GFCCVEGCSA-N 347.383 1.644 0 40 EDAB O=C1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CCN1 54638723 WWBJEITZAOYKAU-GOSISDBHSA-N 340.423 1.915 0 40 EDAB O=C(NCCCn1cnc2ccccc21)c1ccnc(-n2cncn2)c1 54705840 YTCOVBNPNSJNJD-UHFFFAOYSA-N 347.382 1.832 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 56489573 OICSCGMXNQYBMF-MEDUHNTESA-N 347.415 1.733 0 40 EDAB CCN1CCN(C(=O)CC2CCN(C(=O)c3ccon3)CC2)CC1 66445879 OHUVWUDNPIIMBS-UHFFFAOYSA-N 334.420 1.081 0 40 EDAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NCc2ccccc2F)[C@H]2CO[C@@H]1O2 952844628 CJZJNHSSLNBVDA-OVYGPGRDSA-N 333.363 1.146 0 40 EDAB biogenic,in-vitro NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CCCC2)nc1 69519744 PLLIRYYVYPHRTE-INIZCTEOSA-N 338.411 1.508 0 40 EDAB COC(=O)c1cc(CN2CCN(Cc3n[nH]c(C)n3)CC2)oc1C 95987398 OKCVEDKLDIRJBA-UHFFFAOYSA-N 333.392 1.119 0 40 EDAB CO[C@@]1(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CCSC1 96097679 YJJRDRCAAYNDKN-CQSZACIVSA-N 344.458 1.445 0 40 EDAB CN1C(=O)COC12CCN(C(=O)Cc1cccc3ncccc13)CC2 1615592974 WIYMJHLYSBWSPT-UHFFFAOYSA-N 339.395 1.585 0 40 EDAB CCOCCN(C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(C)c1 1616034314 INGVJXVLUXQJCI-UHFFFAOYSA-N 343.449 1.746 0 40 EDAB O=S(=O)(c1ccc(Br)s1)N1CC(n2ccnn2)C1 225694596 QDWPDCJSMQXFMY-UHFFFAOYSA-N 349.235 1.348 0 40 EDAB CN1CCC(NC(=O)[C@@H]2CN(C)[C@H]3c4cc(F)ccc4OC[C@@H]23)CC1 1772595658 JDHJKGYPEDRHAF-RYRKJORJSA-N 347.434 1.647 0 40 EDAB O=c1[nH]c(N2CCCCC2)nc2c1CN(Cc1ccncc1)CC2 12113719 HIOCDZGSUZWPBX-UHFFFAOYSA-N 325.416 1.714 0 40 EDAB COc1cccc(-c2ocnc2C(=O)N2CCC[C@H](C(N)=O)C2)c1 12144663 GJYPDXYNRXGMSC-LBPRGKRZSA-N 329.356 1.688 0 40 EDAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccccn3)ccc21 15323812 IAISGTPSTGWSHG-UHFFFAOYSA-N 345.424 1.859 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCN2c2ncccc21)NC1CCCCC1 19346586 WOLZWMBZIKQYOG-HNNXBMFYSA-N 328.416 1.846 0 40 EDAB CN(C)C(=O)Cn1cc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cn1 19746129 QCCHLFWJIDQTSQ-UHFFFAOYSA-N 348.378 1.907 0 40 EDAB C[C@H](c1ccccn1)N(C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103939505 OLEDTOMTQSYBHY-HVCLXXKLSA-N 339.395 1.408 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(Oc2ccnc(C)n2)CC1 585147040 VLYLDWHDQPQBJP-UHFFFAOYSA-N 331.376 1.211 0 40 EDAB CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ncn(C(C)(C)C)n1 585113899 SPEBNTRZHAWCAP-AWEZNQCLSA-N 349.479 1.749 0 40 EDAB Cc1cc(C)c(CNC(=O)c2nn(C)c(=O)c3ccccc23)c(=O)[nH]1 7118132 BPVHFGKSMOUWFO-UHFFFAOYSA-N 338.367 1.169 0 40 EDAB O=C([C@H]1CN(c2cc(C3CCC3)ncn2)CCO1)N1CCSCC1 1888834720 LJWMNEVZHYNOIC-OAHLLOKOSA-N 348.472 1.525 0 40 EDAB CCOCC(=O)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888856597 FGCVDZDOLAGVFO-UHFFFAOYSA-N 342.399 1.534 0 40 EDAB Cc1ccc(C(=O)N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)nc1 2037984873 QGESNLKAZGXYFK-SFHVURJKSA-N 331.416 1.490 0 40 EDAB COCCN1CC2(CCN(C(=O)C3CC(F)C3)CC2)C[C@H]1COC 1614947057 HIIKRPOEYRMHIF-GPANFISMSA-N 342.455 1.710 0 40 EDAB COCCN1CCO[C@H]2CCN(C(=O)c3cc(C4CC4)on3)C[C@@H]21 1074307198 HORBYOVQJXNWSM-GJZGRUSLSA-N 335.404 1.114 0 40 EDAB Cc1nc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)N3CCOCC3)C2)cs1 2055815403 ICWRISFHAUNAIH-WBMJQRKESA-N 335.429 1.163 0 40 EDAB Cn1nc(C(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)ccc1=O 211112149 YZHVQZHSFLDOBJ-GOSISDBHSA-N 339.351 1.082 0 40 EDAB Cc1nc2ccccc2nc1Cn1nnc(-c2ccc(C(N)=O)cc2)n1 40466326 PVSVUBKZPFFWRW-UHFFFAOYSA-N 345.366 1.739 0 40 EDAB CC(C)C[C@H](CNC(=O)Cn1nnc2ccccc21)N1CCOCC1 40489244 MHNADIBWVVULPP-OAHLLOKOSA-N 345.447 1.294 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 45540456 FHPPOIVXNQVQKS-INIZCTEOSA-N 347.396 1.767 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)NCCOc1ccc(F)cc1 28995737 JOVNCWPOLWNZJK-UHFFFAOYSA-N 325.384 1.761 0 40 EDAB CCOC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2nc(C)sc2n1 51968354 DCHUALKCWQBPSX-LBPRGKRZSA-N 336.417 1.377 0 40 EDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 32578944 MAGVTQFRQUZEPM-UHFFFAOYSA-N 340.401 1.352 0 40 EDAB CC1(C)[C@H]2CC[C@]3(C)C(=O)N(NC(=O)c4ccc(O)cc4)C(=O)[C@]213 102185689 PEIVWBQRMKASBC-NXOUGTEYSA-N 328.368 1.848 0 40 EDAB Cc1noc(C)c1[C@H](C)C(=O)NS(=O)(=O)C[C@@H]1CCCCO1 102139274 HQYHXKCHXXANII-CABZTGNLSA-N 330.406 1.410 0 40 EDAB CCOC(=O)C1CCN(C(=O)COC(=O)c2cccc(C)c2O)CC1 11712695 DPNMHWDHUPIKSR-UHFFFAOYSA-N 349.383 1.659 0 40 EDAB FC(F)(F)c1nnc2ccc(NCCCCN3CCOCC3)nn12 52308849 OGMHEYPUFZCRCK-UHFFFAOYSA-N 344.341 1.667 0 40 EDAB Cc1cc(COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)on1 32823761 KVZHOEONXQAKCM-UHFFFAOYSA-N 325.324 1.996 0 40 EDAB CCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)O)C(C)C)ccc12 485995 JWPMNLOQUVPRIH-KRWDZBQOSA-N 347.367 1.960 0 40 EDAB biogenic COC(=O)CCCS(=O)(=O)NCCc1c[nH]c2ccc(F)cc12 71914048 HETFRKMJEMDLJK-UHFFFAOYSA-N 342.392 1.722 0 40 EDAB CNC(=O)c1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1C 102716929 MOEXHDHMCVKKCC-CQSZACIVSA-N 328.416 1.833 0 40 EDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)COC(=O)c1cnn(C)c1 103437524 FZUPFTKOSGBPME-NTZNESFSSA-N 336.392 1.227 0 40 EDAB O=C(CCn1cncn1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 41979878 PRMAPSUOTHFCDH-AWEZNQCLSA-N 328.372 1.803 0 40 EDAB Nc1nccnc1C(=O)NCc1ccc(OCC(F)(F)F)cc1 22418281 UNNXPRMKZLTSRW-UHFFFAOYSA-N 326.278 1.930 0 40 EDAB Cc1cccc(CN2CCN(CC(=O)NC[C@H]3CCCO3)CC2)c1 22775748 UBQLNEDXSZTFEP-GOSISDBHSA-N 331.460 1.408 0 40 EDAB C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)c1nncn1C 46963869 JRNLKFMKLWNVIV-HNNXBMFYSA-N 342.447 1.794 0 40 EDAB COc1cccc2c1N(Cc1nc3c(cnn3C)c(=O)[nH]1)CCC2 54418194 KBSXVBJAOAAYGZ-UHFFFAOYSA-N 325.372 1.618 0 40 EDAB CCCCN1C(=O)NC(=O)/C(=C(\C)Nc2cccc(C(=O)O)c2)C1=O 101086069 GEJMODXCIJRQRQ-RAXLEYEMSA-N 345.355 1.949 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 24724163 CTTPQWWCDQGOQZ-HZPDHXFCSA-N 346.427 1.739 0 40 EDAB Cc1c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)cnn1C 25005159 HRLBNHJHONDQEC-SECBINFHSA-N 340.405 1.063 0 40 EDAB O=C(N[C@]1(C(=O)O)CCSC1)[C@H]1Cc2cc(Cl)ccc2O1 43509720 BKSDWYFAXUJCKI-BXUZGUMPSA-N 327.789 1.720 0 40 EDAB CCn1ccnc1CN1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 107354866 KERZXEVSHJVHIT-WBVHZDCISA-N 333.480 1.278 0 40 EDAB NC(=O)[C@@H]1CC[C@H](CNc2nccc(OCc3ccccc3)n2)O1 89601371 JKKZVGRHURUEFA-KGLIPLIRSA-N 328.372 1.500 0 40 EDAB CCC[C@@H]1C[C@@](C)(c2csc(NCCNC(N)=S)n2)OC1=O 1757167 VFSUHWRAMFZEER-OTYXRUKQSA-N 342.490 1.967 0 40 EDAB Clc1ccc(CN2CCN(c3ccc4nnnn4n3)CC2)s1 57369621 YOOSUSDOWWVSEU-UHFFFAOYSA-N 335.824 1.556 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 57525750 SZKKWCIAVWZXNU-UHFFFAOYSA-N 349.390 1.828 0 40 EDAB Cn1c(CN2CCN(c3ccccc3Cl)CC2)cc(=O)n(C)c1=O 57886581 UIMVHPNHCIQEER-UHFFFAOYSA-N 348.834 1.060 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CN2CCN(C(=O)C3CC3)CC2)c1 58002823 UXQFGHZSFBZNBZ-QGZVFWFLSA-N 332.444 1.597 0 40 EDAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 44718576 SPJMSUDDCQIBMW-NEPJUHHUSA-N 345.848 1.967 0 40 EDAB Cc1ccc(NC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1 58197830 XEGCTYSMUKKBLI-UHFFFAOYSA-N 325.434 1.883 0 40 EDAB COCCN1CCNC(=O)[C@@H]1c1c(C)nn(-c2ccccc2)c1C 44891764 BFBZOPMPLCUUNF-KRWDZBQOSA-N 328.416 1.608 0 40 EDAB COCCn1nc(C)c(CNC(=O)CN(C)Cc2ccccc2)c1C 58268150 XTZCMZDKFWARBG-UHFFFAOYSA-N 344.459 1.895 0 40 EDAB OCCOc1cc(F)ccc1NCc1nnnn1-c1ccccc1 58201718 IGBSRZSRMYXNOG-UHFFFAOYSA-N 329.335 1.785 0 40 EDAB C[C@H]1CN(C(=O)C2CCN(C(=O)Nc3cccnc3)CC2)C[C@@H](C)O1 44972800 MSWXWZCZCZZKIB-OKILXGFUSA-N 346.431 1.961 0 40 EDAB C[C@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)N1CCOCC1 44912763 WCDBPCICABXFIJ-LLVKDONJSA-N 347.337 1.473 0 40 EDAB NC(=O)N1CCC(C(=O)NCc2ccc(N3CCCCC3)nc2)CC1 44953127 IVPATUAYUAKTBV-UHFFFAOYSA-N 345.447 1.479 0 40 EDAB COc1ccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)c(OC)c1 44934896 GDMRIWHRHCOALB-VQHVLOKHSA-N 342.399 1.913 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 44911857 NCOOSESQEUZIEP-CYBMUJFWSA-N 333.413 1.406 0 40 EDAB CCN(CC)c1ccc(C(=O)NC2CCN(C(=O)OC)CC2)cn1 58328646 SJIKXEUVMYOGGC-UHFFFAOYSA-N 334.420 1.888 0 40 EDAB CC(C)C[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 58393738 IWXYCBJEKSFNBV-GFCCVEGCSA-N 344.433 1.627 0 40 EDAB C[C@]1(c2ccsc2)NC(=O)N(C[C@H](O)COc2ccccc2)C1=O 58341271 JZNPIKUVBQZBJK-SUMWQHHRSA-N 346.408 1.955 0 40 EDAB c1ccc(Cc2noc(CN3CCN(C[C@@H]4CCCO4)CC3)n2)cc1 58370017 ICLFRMFVDOADBE-KRWDZBQOSA-N 342.443 1.957 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NNc1nc(C)cc(C)n1 12691857 SZELPTBHTCCCLK-UHFFFAOYSA-N 342.402 1.247 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 5953893 RWVXLLDXUVKMSS-VXGBXAGGSA-N 328.434 1.764 0 40 EDAB CCCCCS(=O)(=O)CC(=O)NCC(=O)NCc1ccccc1 58423785 ITMHDGOQPGMUEQ-UHFFFAOYSA-N 340.445 1.024 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3337013 OHWLNWJAQSQLOH-SCLBCKFNSA-N 329.400 1.855 0 40 EDAB Cn1cnc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1Cl 36398068 RBSIHUGVSMOMSZ-JTQLQIEISA-N 345.812 1.250 0 40 EDAB Cc1cc(C)n2c(CNS(=O)(=O)c3ccc(F)cc3)nnc2n1 12751344 JLCMNEOFUCDFNO-UHFFFAOYSA-N 335.364 1.359 0 40 EDAB Cc1ccc([C@H](CNC(=O)c2c(C)noc2C)N2CCOCC2)o1 48278998 MEWKDOAEFXPWBP-AWEZNQCLSA-N 333.388 1.996 0 40 EDAB CCOc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CCCCN3C2=O)cc1 48354959 SUAOLHZADOIGTH-CZUORRHYSA-N 348.399 1.642 0 40 EDAB CNC(=O)c1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1 12883227 SVUYTUYUHJGFDJ-UHFFFAOYSA-N 329.356 1.788 0 40 EDAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 7052260 KBAQXKQXFZUDEP-UHFFFAOYSA-N 348.352 1.413 0 40 EDAB Cc1ncc(C(=O)NCCNS(=O)(=O)Cc2ccccc2)s1 63541466 XYBRXXSCJWKIMN-UHFFFAOYSA-N 339.442 1.301 0 40 EDAB CCOC(=O)[C@]1(C(F)(F)F)N=C(c2ccco2)OC(N(C)C)=N1 4207755 OQXGKHFDIGINTK-LBPRGKRZSA-N 333.266 1.796 0 40 EDAB O=C(O)c1ccc2c(c1)C(=O)N(c1n[nH]c(-c3ccccc3)n1)C2=O 4209692 ULNMORBTPODQLA-UHFFFAOYSA-N 334.291 1.971 0 40 EDAB CCOC(=O)c1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)ccc1Cl 409048132 QIOWDEXBFFZXPN-SYQHCUMBSA-N 347.754 1.960 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccco1 13843077 DUANQULGLFBGFQ-JTQLQIEISA-N 326.349 1.402 0 40 EDAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)O 5204703 PMJGDZYAOXDKAC-ZDUSSCGKSA-N 334.372 1.549 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)CN1C(=O)CCOc2ccccc21 65434914 MZTWJYDVANFIAU-AWEZNQCLSA-N 332.400 1.687 0 40 EDAB COc1ccccc1CCNC(=O)CSc1nnnn1C(C)C 14016676 BFKHDMQCGRRNBF-UHFFFAOYSA-N 335.433 1.714 0 40 EDAB Cc1cccc(-c2nnc(SCC(=O)NC3CC3)n2CC(N)=O)c1 14094431 UNGZCDZCDMARSZ-UHFFFAOYSA-N 345.428 1.110 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)C1=O 65500144 QTBSVYIANXAGKW-CYBMUJFWSA-N 332.404 1.789 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NCc2nncn2-c2ccccc2)C1 65575932 NEUWTCNYSMRSEL-AWEZNQCLSA-N 342.403 1.077 0 40 EDAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(c2ncccn2)CC1 14162918 HMJANMQLKPZMTE-ZDUSSCGKSA-N 330.392 1.312 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(C(=O)O)cc1)c1ccccc1 14125292 HXQYWORZECHTHW-INIZCTEOSA-N 348.424 1.966 0 40 EDAB CNC(=O)CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 14142129 MNBZPXQSIDHWJV-UHFFFAOYSA-N 335.473 1.521 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(CCC(=O)Nc2ccccc2)C1 65611380 XEVUDTBVFSDXKF-CQSZACIVSA-N 325.434 1.029 0 40 EDAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCNC1=O 5430197 CLPREXYXAFQQFZ-UHFFFAOYSA-N 345.428 1.533 0 40 EDAB O=C(CN1CCN(C(=O)[C@@H]2COc3ccc(F)cc3C2)CC1)C1CC1 90632598 FCGQDTVGOPVVFB-HNNXBMFYSA-N 346.402 1.500 0 40 EDAB COC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 5504785 UZJKNJQYXKJROP-UHFFFAOYSA-N 340.401 1.281 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccn1 5633408 GEZRKWAXBZZSCG-UHFFFAOYSA-N 347.396 1.355 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N1CCC[C@@H](n2cncn2)C1 70039849 WRZMGUQWDDDTIN-CYBMUJFWSA-N 340.449 1.189 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCOCC1 24635675 AAEZFQZMQUUGKN-UHFFFAOYSA-N 338.429 1.836 0 40 EDAB CC(C)c1ccc(CS(=O)(=O)Cc2nc(N)nc(N(C)C)n2)cc1 69324277 KPFADMBNBGLHOC-UHFFFAOYSA-N 349.460 1.758 0 40 EDAB Cc1c(C(=O)NC2(C)CCC(C)CC2)cnn1-c1ccc(=O)[nH]n1 69534491 NWLVYRWKBOBOQZ-UHFFFAOYSA-N 329.404 1.963 0 40 EDAB COC(=O)c1ccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 69566026 BXGXNNCRZSXPLF-MRXNPFEDSA-N 347.415 1.802 0 40 EDAB COc1ccc(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c(F)c1 89756667 DOSALKDPHNYLDX-CQSZACIVSA-N 346.362 1.493 0 40 EDAB COc1ncccc1NC(=O)CNC(=O)N1CCc2ccccc2C1 69630917 SJRCCVZPOXRJMG-UHFFFAOYSA-N 340.383 1.797 0 40 EDAB CCCc1cc(C(=O)N2CCN(c3nc(C)cc(OC)n3)CC2)[nH]n1 69661146 YJLDTCVTHOSLFM-UHFFFAOYSA-N 344.419 1.432 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)n1 69655121 PGVKBQWUBBOXTI-UONOGXRCSA-N 342.399 1.839 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)NS(=O)(=O)Cc2ccc(F)cc2)cn1 69701864 BVCWKWNNCUWGJR-KGLIPLIRSA-N 337.376 1.309 0 40 EDAB CCOCCO[C@@H](C)C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 69705875 IREYVULAXVHNOK-UONOGXRCSA-N 344.452 1.944 0 40 EDAB NC(=O)c1ccn(-c2ccccc2NS(=O)(=O)c2cccs2)n1 69702446 UPCWCGKVGFOEAF-UHFFFAOYSA-N 348.409 1.834 0 40 EDAB COc1cc(CNC(=O)CNC(N)=O)ccc1OCc1ccccc1 18161222 DZKZEWCDORZDIM-UHFFFAOYSA-N 343.383 1.559 0 40 EDAB O=C1C[C@@H](c2ccccc2)N2N=C(NC(=O)c3cccnc3)NC2=N1 18183002 VORSJCKXDZUIMF-ZDUSSCGKSA-N 334.339 1.015 0 40 EDAB O=S(=O)(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cn[nH]c1 69900645 HZQPPENOMMSCHI-NSHDSACASA-N 341.364 1.907 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)COc1ccc(Cl)cc1C(N)=O 19042955 FKXMNZHTXJXCES-UHFFFAOYSA-N 336.779 1.807 0 40 EDAB O=C(CC1(N2CCOCC2)CCCC1)NCc1nncn1C1CC1 89885502 YTQBFAYBMRGMQA-UHFFFAOYSA-N 333.436 1.264 0 40 EDAB Cc1oc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@H](N)CC1 72148772 RKISRDJOJWTBEX-NSHDSACASA-N 325.390 1.745 0 40 EDAB O=C1N[C@H](Cc2ccccc2)C(=O)N1CC(=O)N1CCc2ccccc21 9883137 RROIUYJELBOHSK-MRXNPFEDSA-N 349.390 1.739 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C12CCC2 89985835 USILRUIUALHINH-STQMWFEESA-N 344.415 1.648 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 72269235 VBFBUYHRWWIYKR-KBPBESRZSA-N 336.436 1.183 0 40 EDAB Cc1cnn([C@@H](C)[C@H](C)NCC(=O)N2CC(=O)Nc3ccccc32)c1 72269819 CEQARNLLMYQZND-KBPBESRZSA-N 341.415 1.716 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cc3c([nH]c1=O)CCCCC3)C2 72291333 OAKLWNJURICZNP-AWEZNQCLSA-N 340.427 1.894 0 40 EDAB CC1(C)CC[C@H](C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c2ccccc21 72290623 IRCBKKGVDTVFGA-ORAYPTAESA-N 341.411 1.652 0 40 EDAB CCCn1c(SCC(=O)c2ccc(OC)cc2OC)n[nH]c1=O 9376177 NDGJUULDUAGLIS-UHFFFAOYSA-N 337.401 1.974 0 40 EDAB CC[C@H]1C(=O)NCCN1C(=O)NCc1ccc(-n2cccn2)cc1 72270103 WXWJJKWBXLGYRJ-HNNXBMFYSA-N 327.388 1.292 0 40 EDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccco1 96220970 MUAYLVLXHPIAMD-HNNXBMFYSA-N 341.367 1.449 0 40 EDAB biogenic CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@H](c3ccc(F)cc3)C2)C1 89954621 CTYVGDJOQNNWGK-WMZOPIPTSA-N 347.434 1.742 0 40 EDAB COc1ccc(CCC(=O)N2CCN(C[C@@H](C)O)CC2)cc1OC 71871015 INPNKKTUXXKXPU-CQSZACIVSA-N 336.432 1.161 0 40 EDAB CN(C)c1ccc(C(=O)NCCS(=O)(=O)NCC2CCC2)cc1 71890871 MJQDTELWVHTFTI-UHFFFAOYSA-N 339.461 1.202 0 40 EDAB Cc1nnc(NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)s1 71897536 KBGNSIPZPXXYJD-AWEZNQCLSA-N 347.444 1.730 0 40 EDAB CCCCS[C@H](C)C(=O)N1CCN(Cc2noc(C)n2)CC1 71882367 QJRDULOOUXXZQX-GFCCVEGCSA-N 326.466 1.944 0 40 EDAB COc1ccc(CCC(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1F 71830577 IKJZYLUGCWHHJA-AWEZNQCLSA-N 349.406 1.783 0 40 EDAB C[C@@H](CCNS(=O)(=O)c1c(F)cccc1Cl)[S@](C)=O 97147145 IQZASOPKRZYFND-DCXZOGHSSA-N 327.830 1.915 0 40 EDAB Cn1cc(CNS(=O)(=O)c2ccc(Br)cc2F)cn1 97163106 GVZGDNGIFCXWOS-UHFFFAOYSA-N 348.197 1.800 0 40 EDAB COc1ccc(C(=O)NCCn2c(C)nc3ncccc3c2=O)cc1 95477211 WOMCFXBMASBRBU-UHFFFAOYSA-N 338.367 1.539 0 40 EDAB O=C1NCCN1[C@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 77270822 PEOVLVBVHFTEGR-HNNXBMFYSA-N 341.415 1.769 0 40 EDAB Cc1noc(-c2cccnc2N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)n1 78415503 PQGJURNYRHDADM-RISCZKNCSA-N 327.388 1.745 0 40 EDAB O=S1(=O)CCC[C@@H](NC[C@@H](c2ccccc2)N2CCOCC2)C1 95984907 IFQZEATXSSMZBF-SJORKVTESA-N 338.473 1.227 0 40 EDAB CCOc1ccccc1OC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 89272117 PLPZOTGHQYBYNB-CYBMUJFWSA-N 333.388 1.137 0 40 EDAB O=C(COCc1cc(-c2ccco2)on1)NCCCN1CCOCC1 20479726 QUMKMQSQHFCWJP-UHFFFAOYSA-N 349.387 1.290 0 40 EDAB CC(C)c1nnc(CNC(=O)c2ccc(N3CCCC3)nc2)n1C 180206376 UFZUZYZXPMNFJP-UHFFFAOYSA-N 328.420 1.864 0 40 EDAB O=C(CCNC(=O)C1CCCC1)NCc1cccnc1-n1cccn1 31226484 COYBTGHCCQPCTA-UHFFFAOYSA-N 341.415 1.580 0 40 EDAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)c1 408976549 RKSANEZCJBGONN-NONVJHHQSA-N 327.336 1.085 0 40 EDAB O=c1[nH]cc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c(=O)[nH]1 72171697 PZAZQZRAGPFFAT-UHFFFAOYSA-N 334.339 1.614 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)N1CCCC1)Cc1ccccc1Cl 548534636 SLVKFCVCYPQLAO-GFCCVEGCSA-N 346.836 1.514 0 40 EDAB COc1cccc([C@@H](C)N2CCN(C(=O)C3(C(=O)O)CC3)CC2)c1 565044210 PKEGXOQPCVAWQU-CYBMUJFWSA-N 332.400 1.765 0 40 EDAB CN1CCN(C(=O)NC(=O)c2ccc(Br)cc2)CC1 31628032 LUWIKRVXBFEEHB-UHFFFAOYSA-N 326.194 1.546 0 40 EDAB Nc1nccnc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 30566656 YSNSVMDEUIODMO-UHFFFAOYSA-N 331.420 1.314 0 40 EDAB CN1CCC(CCNC(=O)c2ccc(CN3CCOCC3)cc2)CC1 78578746 HOSLUBJVNXXDNQ-UHFFFAOYSA-N 345.487 1.981 0 40 EDAB O=C(NCc1nnc2n1CCC2)Nc1ccc(N2CCCCC2)nc1 61398704 ZWTOYEGLXYLMAC-UHFFFAOYSA-N 341.419 1.931 0 40 EDAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(C(=O)CO)C3)n2)n1 72376063 FEIGEEXBKDYQQN-CQSZACIVSA-N 341.415 1.930 0 40 EDAB CCN1CCN(CCNC(=O)[C@@H]2CCCN(c3ccccn3)C2)CC1 79293248 FIBPSWCZYMKVIR-QGZVFWFLSA-N 345.491 1.052 0 40 EDAB Cn1ccc(NC(=O)Cn2cc(COc3cccc(F)c3)nn2)n1 227169623 BKORQVWQJYCYKH-UHFFFAOYSA-N 330.323 1.368 0 40 EDAB COC(=O)[C@@](C)(CNC(=O)N[C@@H]1CC[C@H](N(C)C)C1)c1ccccc1 225594370 ALDIAYLFLKCPAA-GJYPPUQNSA-N 347.459 1.899 0 40 EDAB CC(=O)NC(C)(C)c1noc(CN2CCN(c3ccccn3)CC2)n1 191173369 QBPWWDBPBNHKGB-UHFFFAOYSA-N 344.419 1.158 0 40 EDAB Cc1nc(NC(=O)CC(=O)N(C)C)ccc1I 192688137 APSTXGUZRLJVIY-UHFFFAOYSA-N 347.156 1.411 0 40 EDAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C 223695595 AYAQOQLUGKFODN-CVEARBPZSA-N 344.440 1.956 0 40 EDAB CN(C)CCCNC(=O)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 223391631 ZQCBYPYCIIEOOQ-QGZVFWFLSA-N 342.443 1.727 0 40 EDAB CN(C)CCNC(=O)C1CCN(Cc2ccc3c(c2)OCO3)CC1 199402162 APCLLJYLCRMGSC-UHFFFAOYSA-N 333.432 1.305 0 40 EDAB O=C(O)CCCS(=O)(=O)N1CCN(c2cc(F)ccc2F)CC1 575865159 PEJJUBKCCBJASG-UHFFFAOYSA-N 348.371 1.281 0 40 EDAB O=C([C@H]1CCCO1)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1 96228144 ZGYHZCCGFGNMMV-MRXNPFEDSA-N 349.475 1.245 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3C[C@H]4CC[C@@H]3C4)CC2)cn1 96402721 ARCFSNWHZXGLEE-UXLLHSPISA-N 344.459 1.825 0 40 EDAB Cc1csc2ncnc(Nc3ccn(CCN4CCOCC4)n3)c12 576208056 MEHHCDQMOFUCNB-UHFFFAOYSA-N 344.444 2.272 0 40 EDAB O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1ccccc1Br 238839808 HPDBGNZXQKHWBR-JTQLQIEISA-N 348.200 1.820 0 40 EDAB CO[C@H](C)[C@H](C)NS(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C 576587380 COFHKQGPSKSUCX-QWHCGFSZSA-N 343.445 1.941 0 40 EDAB O=C(NCCc1cscn1)[C@@H]1CN(Cc2ccccc2)CCO1 96420799 HSOIOTMIAJLXLW-INIZCTEOSA-N 331.441 1.703 0 40 EDAB CN(CCNS(C)(=O)=O)Cc1cc(F)cc(Br)c1 96451995 YSQRXKYCOBXBQP-UHFFFAOYSA-N 339.230 1.569 0 40 EDAB CC(C)(NC(=O)CN1CCS(=O)(=O)CC1)c1cccc(Cl)c1 96413843 RSIFLDYULDLQQL-UHFFFAOYSA-N 344.864 1.422 0 40 EDAB COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccco1 96061098 GUKHKHYHQPBKHD-CYBMUJFWSA-N 328.376 1.302 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCn1c(=O)oc3ccccc31)C2 97198182 NETBCEYXCDUWJJ-CYBMUJFWSA-N 340.383 1.621 0 40 EDAB CS(=O)(=O)N1CC[C@@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244379 HRHYQDYCLLAOPS-KRWDZBQOSA-N 345.424 1.577 0 40 EDAB CCc1nc2ccc(C(=O)N3CC(N4C(=O)CCC4=O)C3)cc2s1 238826410 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1.020 0 40 EDAB CO[C@@]1(CCC(=O)NCc2c(C)n[nH]c2C)CCCN(C(C)=O)C1 585280538 JXXVNWBWLGVNJO-QGZVFWFLSA-N 336.436 1.450 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)Cn2c(C)cc3ccccc32)[C@@H]1O 585286565 LNTKISDDDAMDFF-NUJGCVRESA-N 332.400 1.183 0 40 EDAB CC(C)[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)N1CCOCC1 41871352 SYTPCGZQQYNOEN-KRWDZBQOSA-N 345.443 1.658 0 40 EDAB Cc1nc(-c2ccc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc2)no1 42380460 ONRHDCDAWGWPEU-AWEZNQCLSA-N 343.387 1.268 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCSCC1)C2=O 49214546 NRXBZKXUJTVKLO-XHDPSFHLSA-N 325.434 1.063 0 40 EDAB CNC(=O)COc1ccc(NC(=O)c2ccc(C(=O)O)nc2)c(C)c1 1598646816 QTYQLTYYCBUOPS-UHFFFAOYSA-N 343.339 1.465 0 40 EDAB O=C(NCCSCC(F)(F)F)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1605786329 KGEQPBKWEYBAFW-KWQFWETISA-N 342.339 1.025 0 40 EDAB CCn1ncc(Br)c1C(=O)N[C@H]1CCC(=O)N(C)C1 1615548757 FDEDWSBFLLLNRL-QMMMGPOBSA-N 329.198 1.016 0 40 EDAB COC[C@@]1(C(N)=O)CCCN1Cc1nc(Cl)c2sccc2n1 1615615749 SGEJLISSSFCLLS-CQSZACIVSA-N 340.836 1.811 0 40 EDAB Cc1c(C(=O)NCc2cnccn2)nnn1Cc1ccc(F)cc1F 1623502868 WGXGMDRMQPBFDO-UHFFFAOYSA-N 344.325 1.633 0 40 EDAB CN(C)C(=O)Cn1nc(-c2cccs2)n(-c2cccnc2)c1=O 12222327 VYIYRHGSVRUZPY-UHFFFAOYSA-N 329.385 1.246 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2F)NC(=S)N1 12974243 LNMURYYCEXYLDK-CQSZACIVSA-N 335.404 1.477 0 40 EDAB CC(C)c1nnc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)o1 153604679 AXABEDCKZSNRRF-UHFFFAOYSA-N 336.373 1.280 0 40 EDAB CCOC(=O)C1=C(NC(=O)/C=C/C(=O)O)S[C@@H]2CCCC[C@@H]12 5457983 HGPQYMLBMDFBDG-WENXHQBNSA-N 325.386 1.824 0 40 EDAB CCOC(=O)[C@H]1CCCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)C1 2961223 ASNTZFZKDCGZEB-ZDUSSCGKSA-N 349.431 1.821 0 40 EDAB CC(C)CN(C(=O)CCc1ccc(F)cc1)[C@@H]1COC[C@@H](O)[C@H]1O 643586325 ZZSHRZRGAHJQSE-NUJGCVRESA-N 339.407 1.364 0 40 EDAB Cc1noc(C)c1CN1CCO[C@H](C(=O)N2CCSCC2)C1 1888834260 NDEKCGMKKXULDS-AWEZNQCLSA-N 325.434 1.068 0 40 EDAB CCN(CC(=O)NC[C@@H]1CCCO1)Cc1ccc(OC)c(OC)c1 25358211 ZWBYLIABPNBNNJ-HNNXBMFYSA-N 336.432 1.821 0 40 EDAB Cc1cc(C(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)n(C)n1 238867930 MEYXDJPNCDJXHJ-CYBMUJFWSA-N 342.355 1.178 0 40 EDAB O=C(c1cnco1)N1CCC[C@]2(CCCN(c3ncccn3)C2)C1 2056223323 GBRPGLGTMLZDEX-KRWDZBQOSA-N 327.388 1.987 0 40 EDAB O=C(NCC1CCC1)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713671 UZRFOXQTXXYGQZ-HNNXBMFYSA-N 344.459 1.988 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H]3C[C@H](C(=O)N4CCCC4)O[C@@H]3C2)cn1 2055717988 RMMOOJIWFMNTPW-USXIJHARSA-N 343.427 1.632 0 40 EDAB O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccc(F)cc1 23143624 KKFUZFBCRHPWIV-UHFFFAOYSA-N 339.344 1.912 0 40 EDAB Cc1cc(OC2CN(C(=O)c3cnc4ccccc4n3)C2)cc(=O)o1 206957476 SBEJYAZTOBULMD-UHFFFAOYSA-N 337.335 1.795 0 40 EDAB Cc1cc(OC2CN(C(=O)/C=C/c3ccccc3)C2)n2ncnc2n1 618256933 ZJHQKSQIQJWNQB-BQYQJAHWSA-N 335.367 1.736 0 40 EDAB COc1ccc(C(C)(C)C)cc1NC(=O)CN1CCN(CCO)CC1 40465772 PKDVEPAXBNFYNG-UHFFFAOYSA-N 349.475 1.541 0 40 EDAB C[C@@H](C(=O)NC(=O)NC1CC1)N(C)CCCOc1ccc(F)cc1 30268530 JFSXNDMVSDZJBQ-LBPRGKRZSA-N 337.395 1.903 0 40 EDAB 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O=C(NCCCC(=O)N1CCc2ccccc21)c1cn2cccnc2n1 75137011 MLMBMGJDVBOELZ-UHFFFAOYSA-N 349.394 1.829 0 40 EDAB COC(=O)C[C@H](NC(=O)CCSCC(N)=O)c1cccs1 23098365 QBAAEUDIZYVOSO-VIFPVBQESA-N 330.431 1.077 0 40 EDAB O=C(CS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1 1400554 QYECBTNJWQJDDZ-UHFFFAOYSA-N 348.218 1.082 0 40 EDAB O=C(c1cn(-c2ccccc2Br)nn1)N1CCOCC1 43802813 CXTPLWZDRYXMTB-UHFFFAOYSA-N 337.177 1.502 0 40 EDAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCN(Cc2noc(C)n2)CC1 69740376 YENLBUTXKWVVLW-CYBMUJFWSA-N 348.407 1.209 0 40 EDAB O=C(NC1CCN(c2[nH]cnc3ncnc2-3)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 108074921 MWRBCUPMHJHIGS-SGMGOOAPSA-N 340.431 1.826 0 40 EDAB COCc1c(C(=O)NCC2(C(N)=O)CCOCC2)oc2ccccc12 47931336 BFLKJRQDDXPIIH-UHFFFAOYSA-N 346.383 1.591 0 40 EDAB CC(C)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 26859562 VRMVYWNGSCXMLP-UHFFFAOYSA-N 340.445 1.563 0 40 EDAB CC(=O)NCC1CCN(S(=O)(=O)c2cc(C)cc(F)c2)CC1 80730110 NZLUGENZTFJZOD-UHFFFAOYSA-N 328.409 1.671 0 40 EDAB Cc1cnc([C@@H](C)NC(=O)N2CCO[C@@H](Cn3cccn3)C2)s1 174918045 YCAUVIHCXBHTFQ-CHWSQXEVSA-N 335.433 1.820 0 40 EDAB CN(C)C(=O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 58037115 ZFPPYADFQPRCBR-UHFFFAOYSA-N 339.461 1.751 0 40 EDAB Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 44722514 RPIINHXKKRHWCG-NSHDSACASA-N 336.388 1.847 0 40 EDAB CC[C@](C)(NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)C(=O)OC 58181743 HFMFQRSHEIUWKU-XIKOKIGWSA-N 348.399 1.649 0 40 EDAB COc1ccnc(N2CCCN(CC(=O)N3CCCCCC3)CC2)n1 58177855 GCCHVEJCALPBAD-UHFFFAOYSA-N 347.463 1.400 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 44892931 AVDXJUFHYDFGIV-IDVQTMNDSA-N 325.368 1.075 0 40 EDAB Cc1cccc(O[C@@H](C)C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1C 58281794 FQDKLHMSSZRMHC-ZDUSSCGKSA-N 345.399 1.271 0 40 EDAB C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(F)c(F)c1 10307247 IFBGTAPQCYUEIF-VIFPVBQESA-N 347.325 1.286 0 40 EDAB CN(CCCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)S(C)(=O)=O 58330122 MWWGCQSIFMPJBL-KGLIPLIRSA-N 344.864 1.841 0 40 EDAB CC(=O)c1csc(NC(=O)COc2ccc(CC(N)=O)cc2)n1 58356991 CDNKKGYVTOGOJH-UHFFFAOYSA-N 333.369 1.391 0 40 EDAB CC[C@H](C)NC(=O)CN1CCN(Cn2ccc(C(F)(F)F)n2)CC1 58311651 BIQAGOMKVDSHRZ-LBPRGKRZSA-N 347.385 1.392 0 40 EDAB C[C@@H](NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[C@@H]1CCCO1 58393627 YGSZIGCEQFCPMM-CJNGLKHVSA-N 329.400 1.849 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(CCC(=O)NC2CC2)CC1 58378328 GDHLBGWVBDVCJV-UHFFFAOYSA-N 329.444 1.350 0 40 EDAB NC(=O)Nc1cccc(CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1 58329940 OCJYOOLWKSVJTO-AWEZNQCLSA-N 344.415 1.442 0 40 EDAB CC(C)(CNC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccccc1F 58344851 RUYQKZWFDPMZPR-CQSZACIVSA-N 342.436 1.644 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)NCc2cn3ccsc3n2)c1 58678935 KRVDLMYGGBMOOU-UHFFFAOYSA-N 349.437 1.870 0 40 EDAB COC(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2)c1O 170535022 JZHOFPYQCVPMPE-UHFFFAOYSA-N 328.324 1.547 0 40 EDAB CC(=O)Nc1cc(NC(=O)NCc2nnc3n2CCC3)ccc1C 48370459 WDBINTZFRFUBNG-UHFFFAOYSA-N 328.376 1.813 0 40 EDAB O=C1CCCCCN1CCCNCc1cc(=O)n2ccccc2n1 48343090 QTEOWFZYHKZKRZ-UHFFFAOYSA-N 328.416 1.577 0 40 EDAB Cc1c(CC(=O)N2CCC(C(=O)O)CC2)c(=O)oc2cc(O)ccc12 3863629 LOCWGVLDOFAXQN-UHFFFAOYSA-N 345.351 1.673 0 40 EDAB biogenic O=C(CCCc1nnc(-c2ccccc2)o1)N[C@H]1CCCNC1=O 64098978 CUZXCYHTPKEEAB-ZDUSSCGKSA-N 328.372 1.454 0 40 EDAB COc1ccccc1Nc1ncccc1C(=O)N[C@H]1CCCNC1=O 64098440 XDDDVWLJKMMMRI-AWEZNQCLSA-N 340.383 1.842 0 40 EDAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C)ccc1OCC(N)=O 49544777 UFCQLGDJABMKLX-JTQLQIEISA-N 330.344 1.416 0 40 EDAB COC(=O)c1ccc(CS(=O)(=O)NCCCN2CCCC2)cc1 20040968 QDAWFRKKNATYFK-UHFFFAOYSA-N 340.445 1.379 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N1CCN(Cc2cccnc2)CC1 65449303 GJALGIHYRFOXEE-HNNXBMFYSA-N 328.420 1.194 0 40 EDAB CCOc1ccc(-c2noc(CN3CCCC[C@@H]3C(N)=O)n2)cc1 65549019 SHTRZUCZMZJKNC-CQSZACIVSA-N 330.388 1.975 0 40 EDAB Cc1ccc(C)c(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 65587924 AVIOYMDWWWTCQJ-ZDUSSCGKSA-N 325.434 1.849 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)NC2CCCCC2)s1 65621753 SFPINKXCNCEPBA-UHFFFAOYSA-N 331.463 1.788 0 40 EDAB CCn1cc(CN2CCCN(C(=O)CCc3cnn(C)c3)CC2)cn1 69512488 HNURVTOOWDOJAG-UHFFFAOYSA-N 344.463 1.304 0 40 EDAB Cn1cc(CNC[C@H]2CN(C3CC3)CCO2)c(-c2ccncc2)n1 69590313 BBXBPMOABDURDB-KRWDZBQOSA-N 327.432 1.435 0 40 EDAB CN1CCN(CCOc2ccccc2NC(=O)c2ccncc2)CC1 69660056 ILLDBECYMJQVKE-UHFFFAOYSA-N 340.427 1.960 0 40 EDAB CS(=O)(=O)CCNC(=O)N[C@@H]1CCOc2c(Cl)cccc21 83984669 UZYVTEMVFUUEEG-LLVKDONJSA-N 332.809 1.507 0 40 EDAB CC(C)n1cc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)cn1 96007305 BMOWGVOEMCASGU-UHFFFAOYSA-N 332.389 1.846 0 40 EDAB CN(Cc1ccccn1)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 96000004 XOKZTJTZOVZAIR-UHFFFAOYSA-N 345.424 1.368 0 40 EDAB O=C([C@@H]1CCCN([C@@H]2CCN(CC(F)(F)F)C2=O)C1)N1CCCC1 96411481 QXPXOWMLEYGTJF-CHWSQXEVSA-N 347.381 1.484 0 40 EDAB O=C(NCC[C@@H]1CCCO1)[C@@H](c1cccc(F)c1)N1CCOCC1 96426173 WFHFBUPZVUIHDO-DLBZAZTESA-N 336.407 1.884 0 40 EDAB CC[C@@H]1CN(C(=O)CCC(=O)N2CCOc3ccccc32)CCO1 71883637 BVGFWDCPHQMAOQ-CQSZACIVSA-N 332.400 1.830 0 40 EDAB C[C@H](OC(=O)C=C1CCCCC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 71828191 JCQTVMNHTOYFCU-JSGCOSHPSA-N 343.445 1.454 0 40 EDAB CCN(CC)[C@@H](CNc1nc2c(cnn2C)c(=O)[nH]1)c1ccco1 71894191 RBQKTFVLDFDQGN-LBPRGKRZSA-N 330.392 1.745 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(Cc3ccsc3)CC2)cn1 71841298 PUGDQHYDVGJKQH-JKSUJKDBSA-N 330.457 1.930 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1 71871228 AWVBGTFYZZRHOH-LBPRGKRZSA-N 348.834 1.869 0 40 EDAB Cc1nn(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c(=O)c2ccccc12 71805042 AJKVROFNQQBFDO-DLBZAZTESA-N 341.411 1.875 0 40 EDAB CC[C@@H]1CN([C@H](C(=O)NC2CC2)c2ccccc2)CCN1C[C@@H](C)O 71864663 YLBUKMFVBZAUEX-LZQZEXGQSA-N 345.487 1.783 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CC2)cc1 71855399 OMUWQQHGWOGMSV-UHFFFAOYSA-N 336.413 1.321 0 40 EDAB C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)CNS(C)(=O)=O 97079929 GHLPFWJOKAZGNJ-VIFPVBQESA-N 338.351 1.302 0 40 EDAB O=C(CNC(=O)NC1CCN(c2ccccc2)CC1)NCC1CC1 97048374 YBDCCHKZVBJUNT-UHFFFAOYSA-N 330.432 1.481 0 40 EDAB Cc1noc(CCNS(=O)(=O)c2c(C)nn(CC(C)C)c2C)n1 97086241 KLONMRMVUDKUGT-UHFFFAOYSA-N 341.437 1.368 0 40 EDAB CC(C)Cn1cc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cn1 97081172 CSIBDMOZQWBOKP-UHFFFAOYSA-N 341.415 1.532 0 40 EDAB CNC(=O)[C@H]1CCCCN1C[C@@H](O)COc1cc(C)ccc1Cl 97109317 AYLPBTQFOSNCNS-UKRRQHHQSA-N 340.851 1.989 0 40 EDAB COCCN1CCN(Cc2cn(C)nc2-c2ccccc2)CC1=O 97235547 UBZPOOCOADOSTJ-UHFFFAOYSA-N 328.416 1.378 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)Cc2csc(-c3nc[nH]n3)n2)C12CCC2 89985699 RGSBESILMMGRNA-RYUDHWBXSA-N 347.444 1.935 0 40 EDAB Cc1cc(F)ccc1NC(=O)C(=O)NCCc1nc(C(C)C)no1 76018289 XJIRWKBKMGMIHN-UHFFFAOYSA-N 334.351 1.938 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2nc(C)c3ccccc3c2=O)C[C@@H]1N(C)C 84735539 VAGSYSWYTGXKIZ-PBHICJAKSA-N 342.443 1.504 0 40 EDAB Cc1ncc(CN2CC[C@H](NC(=O)c3ccc[nH]c3=O)[C@H](C)C2)s1 95400193 FUICGSUEQRPYSR-ABAIWWIYSA-N 346.456 1.780 0 40 EDAB O=C([C@H](c1ccccc1)n1cnnn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 95477246 GJTKTPCXOPOAOU-RYRKJORJSA-N 341.415 1.416 0 40 EDAB Cc1noc(C)c1CC(=O)NCCCS(=O)(=O)c1ccccc1 95955853 SAGRCRSJXSDGHU-UHFFFAOYSA-N 336.413 1.814 0 40 EDAB CS[C@H]1CN(S(=O)(=O)c2cccs2)C[C@@H]1N1CCCC1 95946059 WBMPILVIYQLYQB-RYUDHWBXSA-N 332.516 1.948 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cn[nH]c2-c2cccc(C)c2)C1 95999498 CLVFMSQTRCLHLB-INIZCTEOSA-N 348.472 1.899 0 40 EDAB CNC(=O)CCCS(=O)(=O)c1nnc(C)n1-c1ccccc1C 95953957 ZCJDFCDTCITAML-UHFFFAOYSA-N 336.417 1.184 0 40 EDAB COCCN1CCC(CNC(=O)c2cc(OC)ccc2OC)CC1 89414365 BLEABQIWPPMHIZ-UHFFFAOYSA-N 336.432 1.792 0 40 EDAB CC(C)c1noc(CN2CCc3ncnc(N4CCOCC4)c3C2)n1 65449361 RZUMUDNDYUEEPF-UHFFFAOYSA-N 344.419 1.378 0 40 EDAB CC[C@@H](C(=O)N[C@H](C)COC)N(c1ccc(C)cc1)S(C)(=O)=O 37021579 RSXYLAZOVXCXDP-HIFRSBDPSA-N 342.461 1.691 0 40 EDAB COc1ccc(Cn2cc(C(=O)Nc3ncn(C)n3)cn2)cc1OC 554456786 VVZONRFQSPCEIE-UHFFFAOYSA-N 342.359 1.329 0 40 EDAB COc1ccc2c(C)cc(=O)oc2c1OC[C@H](O)CN1CCOCC1 31794094 HHRUWTNKMQEHDO-CYBMUJFWSA-N 349.383 1.182 0 40 EDAB CCOC[C@]1(C(N)=S)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)CC 218030678 GUFHFHYWKSVMPA-IPYPFGDCSA-N 327.471 1.896 0 40 EDAB O=C(NC1CC(F)(F)C1)[C@H]1CN(C2CCOCC2)Cc2ccnn21 306139073 SOQRZQJFCBAXIV-CQSZACIVSA-N 340.374 1.333 0 40 EDAB O=C([C@@H](CNCc1cccnc1)c1ccccc1)N1CCOCC1 78553748 LWOHYRWCBLXIBF-SFHVURJKSA-N 325.412 1.814 0 40 EDAB Cc1nc(N)cc([C@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n1 72387864 HHUQZYDJLAOJAF-OAHLLOKOSA-N 330.363 1.649 0 40 EDAB COc1ccc(C(=O)N2CCC(C)(c3[nH]ncc3C(N)=O)CC2)cc1 72388929 ZCGRHXHONDBYLE-UHFFFAOYSA-N 342.399 1.711 0 40 EDAB CN(Cc1ccco1)C(=O)CN1CCNC(=O)[C@H]1c1cccs1 72800480 ODABOFYPRWVRLF-OAHLLOKOSA-N 333.413 1.473 0 40 EDAB CCN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl 188193307 IMIPFLOYJXKPGC-UHFFFAOYSA-N 343.207 1.889 0 40 EDAB COCCCn1c(=O)c2ccccc2n(CC(=O)NC(C)(C)C)c1=O 44841125 LAFFGRWPXQKIRT-UHFFFAOYSA-N 347.415 1.114 0 40 EDAB C[C@@H](CO)NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 40664021 VDTRYAXCJPJLOB-JTQLQIEISA-N 346.836 1.381 0 40 EDAB COc1ccc([C@H](CC(=O)N2CCCC2)NS(C)(=O)=O)cc1 225956726 YFSPWRBMQVKYPC-AWEZNQCLSA-N 326.418 1.298 0 40 EDAB Cc1noc(C)c1C(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225782785 PPIJGHXQXLIHEM-UHFFFAOYSA-N 342.330 1.637 0 40 EDAB Nc1ccc2c(N3CCC[C@H]3C(=O)NCc3ccco3)ncnc2n1 134900287 YSAXGPVYXKQYFD-ZDUSSCGKSA-N 338.371 1.485 0 40 EDAB C[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@H]1C(=O)O 569724606 XWPJINNNRITKCF-ZWNOBZJWSA-N 340.401 1.665 0 40 EDAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CC[C@H](N2CCCC2)C1 81081790 AFGAUHMIWLFVEI-HOTGVXAUSA-N 333.436 1.764 0 40 EDAB CCOC(CNC(=O)c1ccc(OC2CCOCC2)nc1)OCC 225711181 GJHBAOQUUOVXCD-UHFFFAOYSA-N 338.404 1.768 0 40 EDAB O=C(O)c1cccc(CNS(=O)(=O)CCC2CCOCC2)c1 574953580 VJPHAYZEXWAWOU-UHFFFAOYSA-N 327.402 1.621 0 40 EDAB CCn1nnc2c1[C@H](COCC(=O)N(C)C)CN(Cc1ccoc1)C2 96045547 AMYFRWFBEWNJHH-AWEZNQCLSA-N 347.419 1.095 0 40 EDAB O=C(c1ccoc1)N1CCCn2c(nc(CN3CCCC3)cc2=O)C1 96197567 HMIGZIHZYMEFDY-UHFFFAOYSA-N 342.399 1.478 0 40 EDAB COc1cccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)c1 96253043 QGFDPPFHLMZSRK-FGTMMUONSA-N 330.428 1.811 0 40 EDAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@H](CN2CCOCC2)C1 96428464 VDICKZOBUKYSQY-CYBMUJFWSA-N 344.864 1.683 0 40 EDAB O=C1CCCN1Cc1nnc2n1CCN(Cc1cccs1)CC2 96058964 SOZJHNOAYPUJBL-UHFFFAOYSA-N 331.445 1.520 0 40 EDAB CC(C)N(C)Cc1cnc2n1CCN(S(=O)(=O)c1ccccc1)C2 96201066 JXYNBDNHBDNHKD-UHFFFAOYSA-N 348.472 1.928 0 40 EDAB O=C(Nc1cnccn1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1 96041086 ATNOGOSKBPMBAU-RBSFLKMASA-N 328.372 1.830 0 40 EDAB CC(=O)NCC(=O)NC[C@H](C)Oc1ccccc1Br 96451965 MIAHNRWZXBAHLA-VIFPVBQESA-N 329.194 1.469 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@@H]1COc3ccccc3O1)CC2 97200440 YPAWDBVQAXNTSZ-CYBMUJFWSA-N 326.400 1.741 0 40 EDAB O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1nccn2ccnc12 96444682 BRNAJAAPBMQXBQ-HNNXBMFYSA-N 349.394 1.764 0 40 EDAB COc1ccc(OC)c([C@@H]2CCCN2Cc2cn(CC(=O)O)nn2)c1 578778026 DUFMEUFMDISGBT-HNNXBMFYSA-N 346.387 1.717 0 40 EDAB c1cn(C[C@@H]2CO[C@]3(COCCN(CC4CCOCC4)C3)C2)cn1 96052086 BLYASCITYFFUQL-QZTJIDSGSA-N 335.448 1.417 0 40 EDAB O=C(c1cocn1)N1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1 96219622 SHWHDBLHAPTEDZ-MLGOLLRUSA-N 329.360 1.340 0 40 EDAB Cc1nc(CN2C[C@]3(CCN(C(=O)NC(C)C)C3)CC2=O)cs1 96239386 KMUMOVXXEVMHKM-MRXNPFEDSA-N 336.461 1.994 0 40 EDAB Cc1noc(-c2ccnc(N3CCN(C[C@H]4CCCO4)CC3)c2)n1 96453198 VMGSABQXNDLSPH-OAHLLOKOSA-N 329.404 1.741 0 40 EDAB O=C(NC[C@@H]1CCC2(CN(Cc3ccccn3)C2)OC1)c1ccno1 247468214 DJDIIJYRCSWSJD-AWEZNQCLSA-N 342.399 1.481 0 40 EDAB Cc1nc(CN2Cc3cncn3[C@H](C(=O)N3CCCCO3)C2)cs1 247966971 QXFNGZGRTPGVCV-HNNXBMFYSA-N 347.444 1.759 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](N)[C@H]2c2ccc3c(c2)OCO3)cc1 242723053 YCKAMNPVQMGNAF-IKGGRYGDSA-N 331.393 1.991 0 40 EDAB CO[C@@H]1CCOC2(C1)CN(C(=O)c1ccc3c(c1)OCCCO3)C2 247986873 ZIBXAHOVVBQNQO-CQSZACIVSA-N 333.384 1.868 0 40 EDAB CCc1cnccc1C(=O)N1CC[C@](O)(c2cn(C(C)C)nn2)C1 583618741 COMAIDVWFKBNRF-QGZVFWFLSA-N 329.404 1.550 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccccc1 583620926 GXTZEGJLUOAUQG-WMZOPIPTSA-N 342.443 1.839 0 40 EDAB C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCCC12CCOCC2 252494505 NXNYKBMWGZDGFY-OLZOCXBDSA-N 332.466 1.458 0 40 EDAB CN(C)C(=O)C1(CCCc2ccncc2)CCN(C(=O)CN)CC1 257252742 JVZNERVJJHPIPK-UHFFFAOYSA-N 332.448 1.060 0 40 EDAB O=C(c1noc2c1CCCC2)N1CCO[C@H](CCc2ccncn2)C1 257275371 NPAWDCWBEUFQGU-CQSZACIVSA-N 342.399 1.817 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N[C@]1(CO)COc2ccccc2C1 529823229 RAQARCOBQZWPAH-GOSISDBHSA-N 329.400 1.062 0 40 EDAB Cn1nccc1-c1cc(CC2CCN(S(C)(=O)=O)CC2)ccn1 257333524 YBXNUTFMZVFPHK-UHFFFAOYSA-N 334.445 1.696 0 40 EDAB COCCOc1ccc(CC(=O)N[C@H](CO)c2cccnc2)cc1 585088280 SMCGIYLLXQHKBY-QGZVFWFLSA-N 330.384 1.499 0 40 EDAB CN(C)c1ccc(N2CCC(C)(C(=O)N3CCC(O)CC3)CC2)nn1 257264996 LWWGWKWXSLPBBZ-UHFFFAOYSA-N 347.463 1.132 0 40 EDAB COc1ccsc1S(=O)(=O)N1CCN(c2ncns2)CC1 585115071 LGMNFEZXLRYYIE-UHFFFAOYSA-N 346.459 1.119 0 40 EDAB Cc1cc(C[C@H]2COCCN(C(=O)CC3(O)CCCCC3)C2)ncn1 257233259 GOLUZOKFTUODKN-MRXNPFEDSA-N 347.459 1.888 0 40 EDAB COc1ccc(C)cc1N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O 260894894 GFVXPMMTWYTSRS-CYBMUJFWSA-N 342.461 1.930 0 40 EDAB CCc1cc(N2CCC(NC(=O)[C@](C)(OC)C3CC3)CC2)ncn1 291827537 AUIWOOVHLCNFLC-GOSISDBHSA-N 332.448 1.939 0 40 EDAB Cn1cc(C(=O)N2CC(n3ccnn3)C2)c(-c2ccsc2)cc1=O 390826985 DHUJLASIHJCQTB-UHFFFAOYSA-N 341.396 1.402 0 40 EDAB O=S1(=O)C[C@H]2NC(=S)N(c3nc4ccccc4s3)[C@H]2C1 575422969 FCPZETTYFPRZDY-BDAKNGLRSA-N 325.440 1.156 0 40 EDAB COc1cc(CNS(=O)(=O)c2cc(OC)c(OC)cc2F)on1 585094150 JVEMBQFOINVKJK-UHFFFAOYSA-N 346.336 1.318 0 40 EDAB COc1ncccc1C(=O)N1CC(F)(F)C[C@]2(CCNC2=O)C1 585093478 YVIVYPXADMDXMF-CQSZACIVSA-N 325.315 1.078 0 40 EDAB Cc1nccc(CN2CCOC[C@@](O)(COc3ccccc3C)C2)n1 585276876 SHQDBWOELHIOFW-LJQANCHMSA-N 343.427 1.736 0 40 EDAB COC[C@@]1(CC(=O)NCCn2nc(C)cc2C)CCCN1C(C)=O 585280617 MCXXITZDGHTCOW-KRWDZBQOSA-N 336.436 1.034 0 40 EDAB O=C1C[C@H](c2ccccc2)N(C(=O)CN2CCCCCC2=O)CCN1 57348476 NHKWDDHMRZRZRI-MRXNPFEDSA-N 343.427 1.479 0 40 EDAB CCOc1ccc(CCC(=O)Nc2nc(S(C)(=O)=O)n[nH]2)cc1 69520878 MJWGJMHKDDFJET-UHFFFAOYSA-N 338.389 1.178 0 40 EDAB CN(C(=O)NCc1cnn(-c2ccccc2)c1)C1CCS(=O)CC1 93286384 LECQAKWTJZPUFK-UHFFFAOYSA-N 346.456 1.925 0 40 EDAB O=C1[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C(=O)N1Cc1ccccc1 641657500 SLZZTLVSVPGJLZ-IYBDPMFKSA-N 348.406 1.975 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NCC3(CO)CCOCC3)C[C@H]2C1 1615001156 NAWJJOCLBCSVFK-ZNMIVQPWSA-N 340.464 1.621 0 40 EDAB CCc1ccccc1S(=O)(=O)N[C@H](c1cnn(C)c1)c1ncon1 1615058601 OWSYMAFUCVTETK-CQSZACIVSA-N 347.400 1.433 0 40 EDAB CN(C1CCCC1)S(=O)(=O)N1CCC[C@@H]1c1nccc(O)n1 1615549297 MPMNEDGDHGGTBS-GFCCVEGCSA-N 326.422 1.438 0 40 EDAB COc1cc([C@H](C)NC(=O)c2ccnc(C)n2)ccc1S(C)(=O)=O 1615616147 XFRXTAUPDITUNG-JTQLQIEISA-N 349.412 1.688 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)n1C 5209801 RXFLTGLPNWXHKM-SNVBAGLBSA-N 333.417 1.727 0 40 EDAB COc1cc(C2=NO[C@H](C(=O)NCC(C)C)C2)cc(OC)c1OC 5031111 GBQNMGWRWOYNDS-HNNXBMFYSA-N 336.388 1.978 0 40 EDAB C[C@]12CN([C@H]3CCSC3)C[C@H]1C(=O)Nc1ccccc1C(=O)N2 12337895 VUVBYTGHSUUNGS-BNLOLNQZSA-N 331.441 1.565 0 40 EDAB CCCCCC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 14040339 CMKQOLNORWVEJV-UHFFFAOYSA-N 329.447 1.727 0 40 EDAB Cc1cc[nH]c(=O)c1NCc1cc2cc3c(cc2[nH]c1=O)OCO3 19238228 NKIHAQVEAPWHGZ-UHFFFAOYSA-N 325.324 1.866 0 40 EDAB CCc1nc2ccccc2c2nn(CC(=O)NC3CCCC3)c(=O)n12 19523255 YCELVHGBWWZXFV-UHFFFAOYSA-N 339.399 1.665 0 40 EDAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19529548 XEZKCNMSNGAXPL-MRHIQRDNSA-N 334.347 1.023 0 40 EDAB Cc1nc(CC(=O)N2CCC[C@@]2(C)C(=O)N2CCOCC2)cs1 19746520 PASVSFXEAFASNP-INIZCTEOSA-N 337.445 1.234 0 40 EDAB Cc1nc2n(n1)C[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 156418309 YBEQLLDJXKEKPM-UONOGXRCSA-N 335.452 1.890 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@H](n2ccnn2)C1 206934952 CIMYKLBRFVDMRR-HNNXBMFYSA-N 332.429 1.793 0 40 EDAB Cc1ccccc1S(=O)(=O)NC[C@H](C(=O)O)C1CCOCC1 564854136 JLGHKCXJFRIYLX-ZDUSSCGKSA-N 327.402 1.401 0 40 EDAB COc1nccnc1N(C)CC1CCN(Cc2nc(C)no2)CC1 1888847413 BQXIZBKZQBIGIS-UHFFFAOYSA-N 332.408 1.525 0 40 EDAB O=C(NCCn1nc(C(F)(F)F)ccc1=O)c1ccncc1F 1888847498 LFGHGQSYEVMOKL-UHFFFAOYSA-N 330.241 1.226 0 40 EDAB O=C1[C@H]2CN(c3ccn4nccc4n3)C[C@@H]2C(=O)N1Cc1ccccc1 1888888306 CYBFLJINSDABLK-GJZGRUSLSA-N 347.378 1.351 0 40 EDAB CN(C)c1cc(N2CCC[C@H](C(=O)N3CCSCC3)C2)ncn1 1889099085 MBEQKQSOZBGBAO-ZDUSSCGKSA-N 335.477 1.334 0 40 EDAB Cc1cc(N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)ncn1 1889138953 NBQWXBGLWNMMOX-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB CCN(CC)C(=O)CN(C)C(=O)C[C@@H]1Sc2ccccc2NC1=O 23799582 DWACLOAKVDQMRS-AWEZNQCLSA-N 349.456 1.816 0 40 EDAB CNC(=O)CNC(=O)c1oc2ccc(Br)cc2c1C 25194316 UMAQOFNRDIGAET-UHFFFAOYSA-N 325.162 1.980 0 40 EDAB Cc1nc(C(=O)N2CCn3c(Cn4cncn4)cnc3[C@H]2C)cs1 1614928456 OWIXXPINTDQUAR-SNVBAGLBSA-N 343.416 1.505 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)NC[C@@H]1COC2(CCCC2)O1 10220557 IWVMSCRDJOQCMQ-CYBMUJFWSA-N 341.429 1.968 0 40 EDAB COc1cc(C[C@H]2CC(CN3CCOCC3)=NO2)cc2c1OCO2 15085676 ATQJHMIFVGOXHZ-AWEZNQCLSA-N 334.372 1.444 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1775975223 CPZAAIXARFPOJN-KBPBESRZSA-N 349.460 1.790 0 40 EDAB COc1ccccc1-c1cc(C(=O)N2CC[C@H](n3ccnn3)C2)[nH]n1 206931733 QRXKQOWPPNENJT-LBPRGKRZSA-N 338.371 1.764 0 40 EDAB Cc1noc(-c2cn(CCNC(=O)NCc3cccc(F)c3)nn2)n1 225584148 MWQAKKGDPBCYKD-UHFFFAOYSA-N 345.338 1.275 0 40 EDAB Cn1cc(-c2nccnc2CNC(=O)c2cc(-c3ccco3)[nH]n2)cn1 575618570 CLLQIUWHCKWRIJ-UHFFFAOYSA-N 349.354 1.790 0 40 EDAB c1csc(-c2cc(CN3CCO[C@@H](Cn4cncn4)C3)no2)c1 70011479 MIQPLPWSEYMVPQ-CYBMUJFWSA-N 331.401 1.896 0 40 EDAB Cc1nc(NC(=O)[C@H](C)N2CCO[C@H](Cn3cccn3)C2)sc1C 69391728 GINJOJBTZXKKTJ-JSGCOSHPSA-N 349.460 1.684 0 40 EDAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 100702606 CXKAHGJWKQVMRO-PVAVHDDUSA-N 343.379 1.580 0 40 EDAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccn2)Oc2ccccc21 40553338 ZJHUQVQKXIUHSF-ZDUSSCGKSA-N 333.369 1.247 0 40 EDAB Cc1nnc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)s1 40526508 YVCCRPOAPLZATQ-CQSZACIVSA-N 347.444 1.387 0 40 EDAB CN(C)Cc1cccc(CNC2=NS(=O)(=O)c3ccccc32)c1 31726028 OKXRPNJOIFCVSQ-UHFFFAOYSA-N 329.425 1.987 0 40 EDAB NC(=O)c1ccc(NC(=O)c2cc(-n3cnnn3)ccc2Cl)cc1 32073912 GHIQUHKUMSTYNO-UHFFFAOYSA-N 342.746 1.667 0 40 EDAB O=c1[nH]c2ccccc2c(=O)n1Cc1ccc(Cn2ccnc2)cc1 29303289 RDFDMXKXZQTIGB-UHFFFAOYSA-N 332.363 1.983 0 40 EDAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCSCC1 4813951 WIFXCPSRWXXBGQ-UHFFFAOYSA-N 333.413 1.942 0 40 EDAB O=C(Cn1cccn1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 32492503 MEACCVLCHTUHGA-UHFFFAOYSA-N 334.401 1.306 0 40 EDAB O=C1C[C@@H](n2nnn(-c3ccccc3Cl)c2=S)[C@@H]2CO[C@@H]1O2 101080302 QOANVVRGSJBXIG-ADEWGFFLSA-N 338.776 1.707 0 40 EDAB CCN(CC)S(=O)(=O)NCc1cccnc1OCC(F)(F)F 32825794 HTFNVRMCMYXOHM-UHFFFAOYSA-N 341.355 1.699 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@@H](C)O1 32808532 OWHYFXNTSWFTQQ-BETUJISGSA-N 338.429 1.476 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)c1 21699802 GKLFPOFJEPAQHD-HNNXBMFYSA-N 341.429 1.753 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1C 83836732 DBLHTVHAIIFAOY-GJZGRUSLSA-N 335.429 1.456 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 107231760 WKAQEUJBHFKQTF-UVBSCNOISA-N 342.399 1.101 0 40 EDAB COC(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 71915386 WEAWLJHRZHMHHL-NSHDSACASA-N 344.289 1.366 0 40 EDAB C[C@H](O)CN1CCN(C[C@@H](O)c2ccccc2C(F)(F)F)CC1 75132632 HEKSZAGDUOZLMW-SWLSCSKDSA-N 332.366 1.737 0 40 EDAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCc1ccncc1 22251504 PMDHFOPPYUBZCT-UHFFFAOYSA-N 349.412 1.416 0 40 EDAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)S(C)(=O)=O 42296553 JFQVNNHXWJQAJT-SSDOTTSWSA-N 341.357 1.055 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2N(C)C)CC1 23151937 WVGBATZTHUYMTR-UHFFFAOYSA-N 339.461 1.753 0 40 EDAB CCN(CC)CCC[C@H](C)NC(=O)c1cnc2n(c1=O)CCS2 42537103 KHIAQQHIYHHXEO-LBPRGKRZSA-N 338.477 1.589 0 40 EDAB CC(C)[C@@H](NC(=O)CN1CCOCC1)c1ccc2c(c1)OCCO2 23640949 MJFQAXGLYGFGRF-GOSISDBHSA-N 334.416 1.603 0 40 EDAB COC(=O)C1=NN(C(=O)c2ccc(N(C)C)cc2)[C@](O)(C(C)(C)C)C1 1275490 WSYDQHPIKXNWTC-GOSISDBHSA-N 347.415 1.862 0 40 EDAB C[C@@H]1CN([C@H](C)CNC(=O)CCN2CCSC2=O)C[C@@H](C)O1 106560029 VLNNWHSILPZXJC-JHJVBQTASA-N 329.466 1.159 0 40 EDAB CN(C)c1cc(CNC(=O)c2cc3c([nH]c2=O)CCCC3=O)ccn1 47588212 NDKGTGZMTBNKPR-UHFFFAOYSA-N 340.383 1.285 0 40 EDAB CC1(C)CN(C[C@@H](O)CN2CCOCC2)CCN1Cc1ccccc1 106772651 PLFHJIKVQKEFSL-IBGZPJMESA-N 347.503 1.276 0 40 EDAB Cc1nccn1-c1cc(CNS(=O)(=O)N2CCCCCC2)ccn1 56065824 OYWCVKXEBQAKCM-UHFFFAOYSA-N 349.460 1.786 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101404350 BSKHPQYOXPNHRS-JSGCOSHPSA-N 338.363 1.837 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCN(C)C(=O)C1)CC2 44305671 YBCSJPBTSDGCFZ-ZDUSSCGKSA-N 332.400 1.457 0 40 EDAB CCCN(CCC)S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O 26764991 RCULDGXMWLRZPN-HNNXBMFYSA-N 339.461 1.265 0 40 EDAB C[C@@H]1CN(C(=O)CSc2nnnn2-c2ccccc2)C[C@@H](C)O1 3234109 WAROOWCUISQNLS-VXGBXAGGSA-N 333.417 1.390 0 40 EDAB COc1cc(NC(=O)c2cnn(C)c2)c(C(=O)N(C)C)cc1OC 25217938 GNELFVDCKQVJNY-UHFFFAOYSA-N 332.360 1.391 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2n[nH]c(=O)c3ccccc23)C1 44871031 XVVUOWHRHDJKCI-CYBMUJFWSA-N 344.415 1.010 0 40 EDAB NC(=O)NC(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1 3268797 PIHFEYJZSMRIAW-UHFFFAOYSA-N 346.314 1.756 0 40 EDAB COc1ccc(CCNS(=O)(=O)c2ncn(C)c2Cl)cc1 27935691 PWUAFVKGCAKRIH-UHFFFAOYSA-N 329.809 1.603 0 40 EDAB CCCCn1cnc2c1c(=O)n(Cc1cnoc1)c(=O)n2CCCC 58439361 BGSHBNKZBSJSDG-UHFFFAOYSA-N 345.403 1.996 0 40 EDAB Cc1cc(N)nc(SCCS(=O)(=O)Oc2ccccc2)n1 45103403 QXCGSKDPHHPGIH-UHFFFAOYSA-N 325.415 1.868 0 40 EDAB CON(C)C(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F 36395525 HAGDKCNLFGMASG-UHFFFAOYSA-N 335.673 1.968 0 40 EDAB CNC(=O)CCCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 2352141 UTYPZUWXULWXTO-UHFFFAOYSA-N 335.360 1.831 0 40 EDAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)O[C@H]1CCOC1=O 3360571 LPIMOYAYTHOZTM-INIZCTEOSA-N 339.347 1.942 0 40 EDAB Cc1ncc2c(n1)CCN(C(=O)NC[C@H]1COc3ccccc3O1)C2 48261369 QNUSRUQZBMECHG-AWEZNQCLSA-N 340.383 1.693 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)NC[C@@H]2Cc3ccccc3O2)cn1 48288677 LNTMOLDFQOMNCE-ZDUSSCGKSA-N 347.396 1.610 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 48263506 BOOROFGSYOKECZ-ZIAGYGMSSA-N 332.400 1.686 0 40 EDAB CC(=O)NCC1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)CC1 48234292 FAEXYDDMTSWMNA-HNNXBMFYSA-N 336.436 1.440 0 40 EDAB COc1ccc(Br)c(C(=O)N(CC(N)=O)C(C)C)c1 37974717 NNSGGLNHMNFSDD-UHFFFAOYSA-N 329.194 1.794 0 40 EDAB CCn1cc(NC(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)cn1 69120389 VRYYSXCOFMRUKE-OAHLLOKOSA-N 347.419 1.848 0 40 EDAB CC(C)CN(CC(=O)O)S(=O)(=O)c1c(F)cc(F)cc1F 62742426 SMNGAPPFEPZWTD-UHFFFAOYSA-N 325.308 1.835 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)cc1 13000226 KJGKCYHCWOAPND-UHFFFAOYSA-N 342.417 1.008 0 40 EDAB O=C(CN1CC[C@H](c2ccccc2)C1)NC(=O)NCC(F)(F)F 69590393 CBDJVEMIVCVFCO-LBPRGKRZSA-N 329.322 1.864 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)NCCO[C@H]2CCCC[C@@H]2C)CCO1 69705858 SMPPFZBBCCYISM-IHRRRGAJSA-N 328.409 1.165 0 40 EDAB CC(=O)Nc1ccc(CCNC(=O)c2c(C)nn3cccnc23)cc1 69744259 YSHVGKLPJXRFHV-UHFFFAOYSA-N 337.383 1.969 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1 6259960 BAHXQWMGXYHODK-NSHDSACASA-N 326.418 1.421 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)c2c(C)c(C)n[nH]c2=O)CC1 65458881 VEQZFFMMGFPMRA-UHFFFAOYSA-N 340.427 1.653 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNCc1ccc([C@@H](C)O)cc1 65474800 HEAXQHCSZVQTFD-OAHLLOKOSA-N 344.459 1.908 0 40 EDAB NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccc[nH]2)o1 14093752 FRQNTOSXPXAVFS-UHFFFAOYSA-N 349.397 1.956 0 40 EDAB Cc1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)ccc1Br 65549004 UACVTPKNPCXZOP-VIFPVBQESA-N 347.234 1.267 0 40 EDAB CCOC(=O)N1CCN(C(=O)CNCCc2ccc(F)cc2)CC1 6497445 AINSAMVTLIIUAE-UHFFFAOYSA-N 337.395 1.259 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O 14112748 FHSVGVAPPLBNEW-UHFFFAOYSA-N 332.404 1.685 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 69895818 FDEFIINDIMLOIC-FZMZJTMJSA-N 341.433 1.592 0 40 EDAB CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCc2ccccc21 65611987 RDYMAQCOKDVCKK-CABCVRRESA-N 338.429 1.536 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 4696162 ITMKYTFEDWQHSR-UHFFFAOYSA-N 338.816 1.846 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2c(C)nn(C(C)(C)C)c2C)CC1 69951540 RHROQTTYUPZJIU-HNNXBMFYSA-N 336.480 1.784 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 69981004 OAGUSSDWAYCODE-SJLPKXTDSA-N 332.444 1.258 0 40 EDAB COc1cc(NC(=O)[C@H](C)Sc2nc(N)cc(N)n2)cc(OC)c1 8720458 ANUXIDHZZQEJKH-QMMMGPOBSA-N 349.416 1.778 0 40 EDAB CCCCNC(=O)CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O 6851983 FXDKBMIIQWPNCT-KRWDZBQOSA-N 335.379 1.899 0 40 EDAB C[C@@H](OC(=O)c1cc[n+]([O-])cc1)C(=O)Nc1ccc2c(c1)OCO2 5961783 PJWGMNBDPUZUHV-SNVBAGLBSA-N 330.296 1.233 0 40 EDAB CN(CC(=O)NC(C)(C)C)Cn1nc(-c2ccc(F)cc2)oc1=O 8734615 ZOKSFUVVXBEFHM-UHFFFAOYSA-N 336.367 1.446 0 40 EDAB O=C(NCC(=O)N1CCCCCC1)c1ccc(N2CCCC2=O)cc1 7912657 VUVOSXRFQGQWLC-UHFFFAOYSA-N 343.427 1.946 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](CC(=O)O)C2)c(Cl)c1 91294071 MGFZPGJESSHZCH-JTQLQIEISA-N 333.793 1.513 0 40 EDAB CCn1nnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 8191745 MEILBYICCXLKLW-JTQLQIEISA-N 346.416 1.549 0 40 EDAB COC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 9576352 MPCSBMUYDDRABA-CQSZACIVSA-N 332.404 1.105 0 40 EDAB Cc1nn(C)c(Cl)c1CNCCC(=O)N1C[C@H](C)O[C@H](C)C1 71837092 PLFIMDBCZYZKFP-PHIMTYICSA-N 328.844 1.497 0 40 EDAB CC(C)CC(=O)N1CCN(CC(=O)N2CCOc3ccccc32)CC1 72283710 MLUKGTRTBYAAQO-UHFFFAOYSA-N 345.443 1.602 0 40 EDAB O=C(Cn1cc(Br)cn1)NC(=O)NCc1ccccc1 72291243 CNXNYOPWIOUCOO-UHFFFAOYSA-N 337.177 1.672 0 40 EDAB NC(=O)C1(CNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CCOCC1 72295605 KTWCKFAMUFJQCN-AAEUAGOBSA-N 338.354 1.467 0 40 EDAB CCS(=O)(=O)N1CCc2c(cccc2NCc2nnc(C)n2C)C1 97048066 KPYOBBBYXPXFKD-UHFFFAOYSA-N 349.460 1.443 0 40 EDAB Cc1nnc(NC(=O)CN2CCC[C@@H]2c2noc(C3CC3)n2)s1 84291798 KRFBVQYRXBAQRB-SNVBAGLBSA-N 334.405 1.883 0 40 EDAB Cc1ccnc(NC(=O)C2CCN(C[C@H](O)C(F)(F)F)CC2)c1 97141813 JLZMKOIMPALLHB-LBPRGKRZSA-N 331.338 1.964 0 40 EDAB C[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 97203079 XHXQKPDNNVHWHH-LBPRGKRZSA-N 334.397 1.598 0 40 EDAB Cc1sc(NC(=O)C[C@@H]2NC(=O)NC2=O)nc1-c1ccccc1 97597499 KAFPNYSPHAZBHG-JTQLQIEISA-N 330.369 1.655 0 40 EDAB CC(C)OCCCNC(=O)CN1CCN(c2nccs2)[C@@H](C)C1 95351824 SYIUGNRSRMOHQI-AWEZNQCLSA-N 340.493 1.585 0 40 EDAB CC[C@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)o2)C[C@H]1N(C)C 84735566 DXBATAHXZSJPSN-WCQYABFASA-N 328.434 1.236 0 40 EDAB CC1(C)C[C@H](NCCNS(=O)(=O)c2ccccc2)C(C)(C)O1 95421135 GINWRWFHTLVAKF-AWEZNQCLSA-N 326.462 1.901 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1=CCCCO1 95445951 VGIDNAMMBNWCFO-DLBZAZTESA-N 330.428 1.680 0 40 EDAB C[C@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccc(Cl)s1 95442340 RYJCJTBSZGBMQC-QWRGUYRKSA-N 332.853 1.314 0 40 EDAB CCS[C@@H]1CC[C@@H](NCc2cnc(N3CCN(C)CC3)nc2)C1 95416697 ZIUFRCGEGFNYNZ-HZPDHXFCSA-N 335.521 1.992 0 40 EDAB Cc1nnc(CN2CCN([C@H](C)C(=O)N3CCCCC3)CC2)s1 95459527 HXZBQXHNGXIWJK-CYBMUJFWSA-N 337.493 1.365 0 40 EDAB CC(C)c1nc(S(=O)(=O)NC[C@](C)(O)c2ccsc2)c[nH]1 95433175 GCNJUHFHEAJCPE-ZDUSSCGKSA-N 329.447 1.781 0 40 EDAB CC[C@H](O)CN1CCC(NC(=O)c2noc(-c3cccnc3)n2)CC1 95443116 ZOUNIXKAHUVKDG-AWEZNQCLSA-N 345.403 1.097 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)c3ccc(C)c(N)c3)CC2)on1 95957015 DTVJWOZCLOEIJB-UHFFFAOYSA-N 328.372 1.472 0 40 EDAB CC(=O)N1C[C@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1csc(C)n1 306138491 RYVJMRNSMIFTTO-CABCVRRESA-N 330.413 1.681 0 40 EDAB CC(C)Cc1cc(C(=O)Nc2cc(-c3nccn3C)[nH]n2)cc(=O)[nH]1 95992396 LATQDWDJKDGVMP-UHFFFAOYSA-N 340.387 1.949 0 40 EDAB Cc1ccc(NC(=O)N2CC[C@H](CN(C)C)C2)cc1-n1cnnn1 95943859 UYYKBIHFEQTXML-CYBMUJFWSA-N 329.408 1.386 0 40 EDAB CCN(C(=O)CNc1ccccc1C(=O)NCCO)c1ccccc1 95955975 MOLSKGCDCWPRIV-UHFFFAOYSA-N 341.411 1.874 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN3CCCC[C@H]23)C1 77564098 WXQIYMWEKNPESD-GBJTYRQASA-N 343.493 1.268 0 40 EDAB COC(=O)[C@H](c1cc(F)ccc1F)N(C)C(=O)c1csnn1 78747947 TVDUAOQOKUAYNT-NSHDSACASA-N 327.312 1.803 0 40 EDAB CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccncc2)CC1 306133040 LZVKNQBLLDRWHK-UHFFFAOYSA-N 340.431 1.261 0 40 EDAB COCc1ccccc1S(=O)(=O)N1CCC[C@H](CC(=O)O)C1 548566853 RBRVXOGGUFPPIT-GFCCVEGCSA-N 327.402 1.708 0 40 EDAB O=C(CC1CC1)NCC[C@H]1CCOC12CN(C(=O)c1cnccn1)C2 306137268 QRJAPFJKQTTWNZ-AWEZNQCLSA-N 344.415 1.014 0 40 EDAB COc1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1Cl 32928300 WXDAIDCOMHTUDS-UHFFFAOYSA-N 332.809 1.018 0 40 EDAB CCOC(=O)c1nc(NC(=O)CCOCC(F)F)[nH]c1Cl 1535554183 JUDPXUYCAQLIHN-UHFFFAOYSA-N 325.699 1.850 0 40 EDAB CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)CN(C)C)n1 72378585 ODIHIMICGPCNCG-CQSZACIVSA-N 328.420 1.450 0 40 EDAB Cc1nc([C@@H](NC(=O)c2ccc(=O)[nH]c2)c2ccccc2F)no1 79350949 OTHYDVMYSOVKAG-AWEZNQCLSA-N 328.303 1.725 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@@]1(COC)C(N)=S 218460517 LHLJZUMOTPNPIH-GZBFAFLISA-N 327.471 1.814 0 40 EDAB Cc1ccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)o1 72241802 NQNKCGSYXZHYFI-SJORKVTESA-N 346.358 1.942 0 40 EDAB COC(=O)c1c(NC(=O)c2nccnc2C(=O)O)sc(C)c1C 32096209 NVBPJZXZRGXQRA-UHFFFAOYSA-N 335.341 1.892 0 40 EDAB O=C(NCCCC(=O)N1Cc2ccccc2C1)NC[C@@H]1CCOC1 71897687 HZKQHGKMIBDVMS-AWEZNQCLSA-N 331.416 1.645 0 40 EDAB Cc1cc(=O)n(CC(=O)N[C@@H](c2cccs2)C2CCOCC2)cn1 675008439 YRMAYSGGROAHKT-QGZVFWFLSA-N 347.440 1.897 0 40 EDAB C[C@@H]1Oc2c(cccc2C(=O)N[C@@H]2CCCc3c2cnn3C)NC1=O 78498607 HJGCLDFEXPVUBF-GXFFZTMASA-N 340.383 1.947 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCN(CC(F)(F)C(F)F)CC1 79311809 MVFUVOJAZDYOCG-GFCCVEGCSA-N 333.329 1.731 0 40 EDAB CC[C@H](C)NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 225456927 YMVPJVLQEOAFRA-LBPRGKRZSA-N 342.461 1.793 0 40 EDAB Cc1cccc(OCc2cn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)nn2)c1 227160575 XSKPWJVQVNJKBT-GJZGRUSLSA-N 344.415 1.801 0 40 EDAB CN(C)C(=O)N1CCN(CCC(=O)N2CCc3ccccc3C2)CC1 225449221 VSQSDOXFDPXIQV-UHFFFAOYSA-N 344.459 1.261 0 40 EDAB COc1cccc(/C=C/C(=O)NC2CCN(C(C)=O)CC2)c1OC 44870841 NBQMAOOQFSFFMI-BQYQJAHWSA-N 332.400 1.844 0 40 EDAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C)c1 223705999 RRYZHVBHFOWIMW-JKSUJKDBSA-N 344.440 1.956 0 40 EDAB CCc1cccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)c1 44304909 XOLNJDOOXKLQPO-INIZCTEOSA-N 345.443 1.050 0 40 EDAB Cc1cc(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)no1 47699341 ODFKXYXTUQNROF-UHFFFAOYSA-N 338.389 1.555 0 40 EDAB Cc1ccc(CN(CC(=O)NCc2ccncc2)S(C)(=O)=O)cc1 222978225 JQXVBAVXTJRPJA-UHFFFAOYSA-N 347.440 1.468 0 40 EDAB C[C@](O)(CNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccsc1 80892032 RYWQGGPYENEQJM-INIZCTEOSA-N 343.412 1.426 0 40 EDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)Cc3ccccc3F)C2)n1 225403903 VCFXOXVPJJIBPI-CQSZACIVSA-N 344.390 1.904 0 40 EDAB Cn1ccnc1CN1CC[C@]2(COCCN(Cc3nccs3)C2)C1 96202072 APDPZKCBTHHQMM-KRWDZBQOSA-N 347.488 1.601 0 40 EDAB CCN1C[C@]2(CC1=O)CN(Cc1ccsc1)CCN(C(C)=O)C2 97952776 BWSHFJPGNNYKPL-KRWDZBQOSA-N 335.473 1.651 0 40 EDAB CN(Cc1ccccn1)C(=O)c1n[nH]c2c1CN([C@@H]1CCOC1)CC2 96187432 SDAFGSHXDWDABY-CQSZACIVSA-N 341.415 1.224 0 40 EDAB O=C(CSCc1ccccc1)N[C@@H]1CCc2n[nH]c(=O)cc2C1 238879927 OZQIZWFXGLFFRB-CQSZACIVSA-N 329.425 1.677 0 40 EDAB Cn1ncc2c1[C@H](COCC1CC1)N(C(=O)c1cnccn1)CC2 96197792 UNLJPFXNTAICKM-HNNXBMFYSA-N 327.388 1.376 0 40 EDAB c1cncc(CN2CCO[C@@H]3CN(C4CCOCC4)CC[C@@H]3C2)c1 96249691 FPUFJZAMYRQVCU-IEBWSBKVSA-N 331.460 1.783 0 40 EDAB Cc1cc(CN2CC[C@]3(CCC[C@@H](CNS(C)(=O)=O)O3)C2)no1 96208036 FONGTYTZKDASDG-LSDHHAIUSA-N 343.449 1.046 0 40 EDAB O=C(c1cnccn1)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 96109080 WFDYOFQQMSWZRL-PXAZEXFGSA-N 344.346 1.178 0 40 EDAB Cc1noc(C)c1CN1CCC2(CC1)NC(=O)C[C@@H]2c1cnn(C)c1 96199770 JASIFTDDJOHLFP-MRXNPFEDSA-N 343.431 1.663 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(C[C@@H](C)c2ccc(OC)cc2)C1 97235557 XDPURDPIULQPDG-CZUORRHYSA-N 326.462 1.812 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)Cc1ccc3c(c1)OCCO3)CC2 97198665 SBVDORGAKMRCQX-CYBMUJFWSA-N 342.399 1.285 0 40 EDAB COCCN1CCOC[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 96228783 PCDDAXDHBXILIP-KRWDZBQOSA-N 338.473 1.949 0 40 EDAB CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](CNC2CCOCC2)COC1 96112766 UWSBSSXBGFXVFH-HNNXBMFYSA-N 344.415 1.835 0 40 EDAB biogenic,in-vitro O=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1 96089056 AJLVOPJDYAIBMZ-JQHSSLGASA-N 341.411 1.970 0 40 EDAB CCCCNC(=O)N1CCc2c(CNc3ncccn3)nn(C)c2C1 96084198 BPAVUBWGFYINDK-UHFFFAOYSA-N 343.435 1.690 0 40 EDAB Cc1nnc(N2C[C@@H]3COC[C@]3(CNC(=O)c3cccnc3)C2)s1 96217424 SCTOVWLXEIKHRR-CJNGLKHVSA-N 345.428 1.124 0 40 EDAB COC[C@H]1CN(CC(C)C)CC12CCN(S(=O)(=O)N(C)C)CC2 247941596 IRNLQSRUQUBHHY-OAHLLOKOSA-N 347.525 1.109 0 40 EDAB O=C(c1cscn1)N1CC2(C1)OCC[C@H]2COCc1ccncc1 247852461 JIFIBHXOAPZJTL-AWEZNQCLSA-N 345.424 1.986 0 40 EDAB CC(C)n1cc([C@@]2(O)CCN(C(=O)COC3CCCCC3)C2)nn1 583618797 NNJIOAKITIPVOC-QGZVFWFLSA-N 336.436 1.628 0 40 EDAB O=C1CCC(C(=O)N2CC[C@@H](c3noc(-c4cccs4)n3)C2)=NN1 253404179 QVKVDCSYWKKWIW-SECBINFHSA-N 345.384 1.380 0 40 EDAB Cc1cc(-c2ccnn2C)nc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257251414 JQQXJWPGARHDIX-LBPRGKRZSA-N 335.433 1.325 0 40 EDAB CCCn1ccnc1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257216700 CVSWMOBRRWALTR-IRXDYDNUSA-N 340.427 1.909 0 40 EDAB COc1ccc(C[C@@H]2COCCN(C(=O)c3cnccn3)C2)cc1 257267531 MHRNHFPWZAICOY-HNNXBMFYSA-N 327.384 1.817 0 40 EDAB O=C(Cc1ccsc1)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257326758 WYMBYDNNXLCQOO-HOTGVXAUSA-N 342.420 1.933 0 40 EDAB C[C@H](C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 585088134 LMKDHNZTZBAQAW-LBPRGKRZSA-N 326.437 1.911 0 40 EDAB CN1C(=O)c2cccc(N3CCC[C@H](CN4CCOCC4)C3)c2C1=O 585132933 HSAFIQGFQUWSLS-CQSZACIVSA-N 343.427 1.461 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@@H]3C[C@H]4C=C[C@H]3NC4)CC2)oc1C 585136800 SUTOZOYHTUQFGG-BZUAXINKSA-N 330.432 1.100 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 585127234 UFSQKHYMDQSOBJ-KCQAQPDRSA-N 337.391 1.907 0 40 EDAB Cc1ccnn1CCC(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257206712 BEQNDKVHYFWILU-IRXDYDNUSA-N 344.415 1.408 0 40 EDAB CN(C)Cc1cnc([C@H]2CN(C(=O)c3cccc(F)c3)CCO2)[nH]1 257331745 XUBRBDUFAMQNAR-OAHLLOKOSA-N 332.379 1.824 0 40 EDAB C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cn2cc(C(=O)O)nn2)C1 263329947 LTIDFUHYQSHPEL-IINYFYTJSA-N 332.335 1.725 0 40 EDAB C[C@@H](C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)O)cc1)n1cccn1 262973943 OWHBCOKETAXPPJ-MNOVXSKESA-N 330.344 1.286 0 40 EDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2ncncc2C1 592588826 DAEZDUILIGYOKU-WMLDXEAASA-N 339.395 1.482 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)o1 606863040 LAXHUDADAVAOMX-MRVPVSSYSA-N 327.280 1.086 0 40 EDAB CC(C)c1ccoc1C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1614706923 RQWOAGDJDLEPTB-UHFFFAOYSA-N 341.429 1.823 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)C3CCC3)C[C@H]12)c1cccnc1 575403412 IAMKPFQQRWLYOM-ARFHVFGLSA-N 329.400 1.085 0 40 EDAB Cn1cnc2c1[C@H](C(=O)N1CCC1)CN(Cc1ccc(F)cc1)C2 585110863 RDBASHXRFXIZKB-OAHLLOKOSA-N 328.391 1.891 0 40 EDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1nccc2ccccc12 585279617 WFROKOPHITUADI-LJQANCHMSA-N 341.411 1.992 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(C(=O)C3CC(F)C3)C[C@@H]2O1 585108657 RFRHMIARRCDICH-YWWOFPCKSA-N 347.390 1.774 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cc2ccccc2o1 44952571 NOWXJTNUSGSILN-CQSZACIVSA-N 336.413 1.863 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(C(=O)NCc2ccco2)CC1 49030482 UQZSTRVFLJGMQS-UHFFFAOYSA-N 346.387 1.190 0 40 EDAB COc1ccc(OCCCNC(=O)N2CCC(C(N)=O)CC2)cc1 56954498 VIBWQSOQBXSQKH-UHFFFAOYSA-N 335.404 1.371 0 40 EDAB COC[C@H](C)NC(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 69631445 DOOOEVFZBAECPV-HNNXBMFYSA-N 333.432 1.426 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@H]1Cn1cc(C)cn1 70036630 YMWXKDQDCUUQRG-HNNXBMFYSA-N 344.415 1.917 0 40 EDAB O=C(CCCn1cncn1)NCC1(CN2CCOCC2)CCCCC1 81934988 VLZNEYBEFIKOQL-UHFFFAOYSA-N 349.479 1.457 0 40 EDAB O=C(c1cccnc1)N1CCc2nc3ccsc3c(=O)n2CC1 12337323 HVBYSTAYPPBNDK-UHFFFAOYSA-N 326.381 1.552 0 40 EDAB COC(=O)[C@]1(O)[C@@H](C(=O)C2CC2)[C@@H](c2ccccc2)NC(=S)N1C 12699630 NJWNJQWKUCKLKF-PBFPGSCMSA-N 348.424 1.005 0 40 EDAB O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1O 13196587 UFJADVXUPRQEJG-UHFFFAOYSA-N 333.365 1.837 0 40 EDAB O=C(Cc1ccc(Cl)cc1)NN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 17070551 RJIZTXJEPYRSSO-XCCSTKFXSA-N 334.759 1.076 0 40 EDAB C[C@H](C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O)n1cncn1 153254953 SYEZBNADONUNBL-YPMHNXCESA-N 331.351 1.290 0 40 EDAB COc1ccc(CNC(=O)CN2[C@H]3CCC[C@@H]2CNC(=O)C3)cc1 4984424 ZYIZYPSKGPBHPF-LSDHHAIUSA-N 331.416 1.054 0 40 EDAB COc1ncccc1C(=O)N1CCC[C@H](N(C)c2ncc(C)cn2)C1 1889133858 KATYQHYMYNIYJA-AWEZNQCLSA-N 341.415 1.930 0 40 EDAB Nc1nonc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2NCCCCC[C@@H]21 1848356318 SVMVRQHIVLATIP-KKUMJFAQSA-N 341.415 1.792 0 40 EDAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@H]1NC(=O)NC1=O 30891574 UXRWBYGBVOMJGS-LLVKDONJSA-N 343.305 1.652 0 40 EDAB O=C1CN(C(=O)CCCOc2ccc(Br)cc2)CCN1 23419323 KZJPQAVJHMCTKE-UHFFFAOYSA-N 341.205 1.567 0 40 EDAB COc1ccc2nnc(CNS(=O)(=O)c3ccc(C)c(C)c3)n2n1 238862212 KXTDMMJCCXZHBL-UHFFFAOYSA-N 347.400 1.228 0 40 EDAB CCn1cc(C(=O)N2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)cn1 2037985001 USFVUYATRGHLLR-GOSISDBHSA-N 348.447 1.535 0 40 EDAB Cc1ccc(N2C[C@]3(CCN(C(=O)c4ncn(C)n4)C3)CC2=O)cc1 1614933923 HSFBEOZIJLLDGL-GOSISDBHSA-N 339.399 1.393 0 40 EDAB O=S(=O)(C1CC1)N1CCN(c2nccc(-c3ccccn3)n2)CC1 2086950002 LMUDTAGLSYXEEO-UHFFFAOYSA-N 345.428 1.153 0 40 EDAB CN(C1CCN(c2cc(C3CC3)ncn2)CC1)S(=O)(=O)C1CC1 2087139754 UNHREFJOGBFXDS-UHFFFAOYSA-N 336.461 1.747 0 40 EDAB COCCn1cc2c(n1)[C@H](CNC(=O)Cc1ccc(F)cn1)OCC2 1565543049 KVMUDHUHSZLSJA-HNNXBMFYSA-N 348.378 1.036 0 40 EDAB O=C(CSc1cc[nH]c(=O)n1)N1CCN(c2ccccc2)CC1 4304026 ROHYLWGMVXBXSN-UHFFFAOYSA-N 330.413 1.211 0 40 EDAB Cc1ccc(NC(=O)CSc2nncc(=O)n2N)cc1Cl 4338102 HDEVXJNLNXIDNT-UHFFFAOYSA-N 325.781 1.045 0 40 EDAB CC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479672 WSSUHZWVMJKPRB-NEPJUHHUSA-N 333.388 1.661 0 40 EDAB CCN(CC)C(=O)[C@@H]1CN(Cc2cc(C)[nH]n2)CC12CCOCC2 2055747922 ZZQJCCLXTHPUTL-INIZCTEOSA-N 334.464 1.815 0 40 EDAB O=C(NCC1CC1)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055717895 BMFJRQRCZLAKKF-ZDUSSCGKSA-N 330.432 1.644 0 40 EDAB CC(C)NC(=O)c1noc2c1C[C@@H](NC(=O)c1ccncc1)CC2 2055739452 ZPNWBJXSZXULIW-LBPRGKRZSA-N 328.372 1.495 0 40 EDAB CN([C@@H]1CCCN(c2ncc(Cl)cn2)C1)S(=O)(=O)C1CC1 2086886986 MIBVAGDLOFQWGF-LLVKDONJSA-N 330.841 1.523 0 40 EDAB CCCc1nnsc1C(=O)NCCn1cnc2ccsc2c1=O 225773748 ZWCQKDKJZLDKTF-UHFFFAOYSA-N 349.441 1.692 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](OCCO)c1ccsc1 575622160 WYMHLJUTSLJALG-GFCCVEGCSA-N 346.430 1.381 0 40 EDAB CCn1nnc2c(=O)n(Cc3ccc(Br)cc3)cnc21 13531588 INXBNKUDCZEXQU-UHFFFAOYSA-N 334.177 1.819 0 40 EDAB CN(C)c1nc(OCCOC(=O)c2ccccc2)nc(N(C)C)n1 2268388 GXHCYLBSTKBISE-UHFFFAOYSA-N 331.376 1.239 0 40 EDAB Cc1cc2c(cc1C)O[C@H](C(=O)NCc1cnc(N(C)C)n1C)C2 96431040 LFJJMLPXCIXBHH-INIZCTEOSA-N 328.416 1.723 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c(C)c1 106409570 OZAVBGBRUYKEHW-UHFFFAOYSA-N 330.365 1.988 0 40 EDAB CS(=O)(=O)N1C[C@H](C(=O)Nc2cccnc2)Oc2ccccc21 20038144 LHMRDLPEOFDDSQ-CQSZACIVSA-N 333.369 1.247 0 40 EDAB Cc1nc(C)c(CC(=O)NC[C@H](c2ccsc2)N(C)C)c(=O)[nH]1 31287097 WWMVLNPWLYELFH-CQSZACIVSA-N 334.445 1.410 0 40 EDAB CC(C)NC(=O)CCNC(=O)NCCOc1cccc(Cl)c1 45572498 XNULOHCQBRBGAU-UHFFFAOYSA-N 327.812 1.933 0 40 EDAB CCOC(=O)c1c[nH]n(CC(=O)N[C@H](C)c2cc(C)ccc2C)c1=N 100993128 PJKRPHUOVQEATM-CYBMUJFWSA-N 344.415 1.967 0 40 EDAB Cc1ccc(-n2nnc(C(=O)NC[C@H]3CCCO3)c2N)cc1Cl 4984767 MJTRJRQWEXKMQK-LLVKDONJSA-N 335.795 1.720 0 40 EDAB CCCCn1nnc(NC(=S)NC(=O)c2cccc(C)c2OC)n1 6890896 INHUIRFQNFWAKM-UHFFFAOYSA-N 348.432 1.917 0 40 EDAB CCOc1cccc(/C=N\NC(=O)c2ccncc2)c1OCC(=O)O 6965042 BHJBXVKUDYVINP-GRSHGNNSSA-N 343.339 1.708 0 40 EDAB COc1ccc(Nc2nc(NCCO)c3nc[nH]c3n2)cc1OC 32124130 ZVWKLCHJQVZKJK-UHFFFAOYSA-N 330.348 1.518 0 40 EDAB biogenic CC(C)n1nc2c(cc1=O)CN([C@@H](C(N)=O)c1ccc(F)cc1)CC2 76064846 MSSKQVTXJJFGJJ-QGZVFWFLSA-N 344.390 1.548 0 40 EDAB COc1ccc(N([C@@H](C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1 379393 CWEVWYKPPSINCV-ZDUSSCGKSA-N 340.445 1.862 0 40 EDAB O=S(=O)(N[C@@H]1CCNC1)c1ccc(Cl)c(C(F)(F)F)c1 52093618 KXKIWWZBOFKUNI-SSDOTTSWSA-N 328.743 1.999 0 40 EDAB Cc1cccc(NC2CCN(CC(=O)Nc3cc(C)nn3C)CC2)n1 76019788 TWOLOGUHHLBUDX-UHFFFAOYSA-N 342.447 1.947 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2cn(C)c3ccccc3c2=O)CC1 22234200 XHMPRPQIDCGRKY-UHFFFAOYSA-N 342.395 1.954 0 40 EDAB NC(=O)c1ccccc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 9647610 HPFOSVUHFHHXDJ-UHFFFAOYSA-N 336.351 1.907 0 40 EDAB Cn1cc(CCC(=O)NCCn2cc(Br)cn2)cn1 28244285 KXSKIQSNDSXXKQ-UHFFFAOYSA-N 326.198 1.128 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@]2(CCN(Cc3cncn3C)C2)C1 107226761 HSRVEPUIZZWXEP-RHSMWYFYSA-N 328.420 1.080 0 40 EDAB Cn1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CCOCC2)cn1 71914939 IGXBYKBFOPHSTF-UHFFFAOYSA-N 339.392 1.543 0 40 EDAB CN1CC(=O)Nc2cc(C(=O)NCCCOC[C@H]3CCCO3)ccc21 71903959 HWOPCYHKNACSCY-CQSZACIVSA-N 347.415 1.390 0 40 EDAB NS(=O)(=O)[C@@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 71916576 YAWKTYVAHHOTRM-CQSZACIVSA-N 344.864 1.942 0 40 EDAB CCCn1nnnc1CN(C)[C@@H]1CCN(c2ccccc2F)C1=O 71900655 CYDTVSMKOCEWDC-CQSZACIVSA-N 332.383 1.460 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)Cc1ccco1 33207558 AINYZJQBRWKLME-JTQLQIEISA-N 338.385 1.297 0 40 EDAB O=C(NCCNc1ncccn1)C1CCN(C(=O)c2ccoc2)CC1 47104861 WQPWKVZZZMZCKF-UHFFFAOYSA-N 343.387 1.150 0 40 EDAB O=C(OCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1F 7398359 AMWXJDMKZQUUJN-UHFFFAOYSA-N 344.346 1.121 0 40 EDAB Cn1cncc1CN1CCC2(CC(NC(=O)c3ccncc3)C2)C1 108527275 BSADTKJQAUTCHE-UHFFFAOYSA-N 325.416 1.600 0 40 EDAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCCC2)C1=O 22492384 ONMWHAZXXFRRRA-SFHVURJKSA-N 345.399 1.475 0 40 EDAB CCOc1ccc2[nH]c(=O)c(CNCCCN3CCOCC3)cc2c1 28641175 NWSBUTPZRHAXIF-UHFFFAOYSA-N 345.443 1.739 0 40 EDAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@]3(CNC(=O)C3)C2)c1 75259887 ZNFMWPSABXPXLV-IBGZPJMESA-N 343.427 1.162 0 40 EDAB O=C(NCCCN1CCCCC1)NCc1cccnc1-n1cncn1 89774289 CZWVKDNPAYDUTN-UHFFFAOYSA-N 343.435 1.338 0 40 EDAB CN(CCCOc1ccc(Cl)cc1)CN1C(=O)C(=O)N(C)C1=O 54569148 QZBFQHUNIBZYDN-UHFFFAOYSA-N 339.779 1.419 0 40 EDAB COc1cccc(/C=c2\s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)c1OC 105739859 ZMIBGTKNSCVMOJ-AYMWWVTDSA-N 347.436 1.678 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc2ccccc2o1 24674295 AKQAILQGKFVADI-ZDUSSCGKSA-N 336.413 1.977 0 40 EDAB COC(=O)c1cn(-c2ccccc2NC(=O)c2cnc(C)cn2)nn1 24926979 JLTPKXIFZNYYMY-UHFFFAOYSA-N 338.327 1.405 0 40 EDAB CN(C)S(=O)(=O)c1ccc(OCCSc2nncn2C)cc1 25061497 NNGAMQFGVCEZQX-UHFFFAOYSA-N 342.446 1.237 0 40 EDAB CCOC(=O)COc1cccc(NC(=O)CCNC(=O)[C@@H]2C[C@H]2C)c1 25275428 RLVHJVLTFPNYOX-IUODEOHRSA-N 348.399 1.729 0 40 EDAB O=C(Nc1ccn(Cc2ccccn2)n1)[C@H]1CCCN1C(=O)C1CC1 89883787 FDRVYJPZXSHCHL-OAHLLOKOSA-N 339.399 1.666 0 40 EDAB CC(C)C(=O)NC1CCN(C(=O)COCCOc2ccccc2)CC1 57570146 HENRPOOCMPZBHC-UHFFFAOYSA-N 348.443 1.845 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1CCN(C2CC2)C1 57553425 AYIDVKKOOLYMAV-CYBMUJFWSA-N 331.416 1.168 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)NCc1ccnc(-n2cccn2)c1 26838395 AKWMUVQIECBLDY-UHFFFAOYSA-N 349.460 1.866 0 40 EDAB O=C(NC1=NCCS1)c1cccc(S(=O)(=O)N2CCCC2)c1 3304166 OFOMCRICMASXOB-UHFFFAOYSA-N 339.442 1.304 0 40 EDAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2F)C1 58265858 IQUUNSABWXVTAD-JTQLQIEISA-N 348.371 1.864 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)C)C1 58244873 XXQYUEOCFZUCBZ-GFCCVEGCSA-N 328.409 1.623 0 40 EDAB Cc1cc(=O)n2nc(NC[C@@H](C)N3C[C@H](C)O[C@H](C)C3)sc2n1 44913890 XJHDERBWXNUIGS-UTUOFQBUSA-N 337.449 1.369 0 40 EDAB C[C@@H](NC(=O)CCn1nc(-c2cccs2)oc1=O)[C@@H]1CCCO1 44912006 ODFSCTRIZCVLHF-MNOVXSKESA-N 337.401 1.639 0 40 EDAB Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H]1CCS(=O)(=O)C1 44908044 QZBYDXJOZLZMFT-AWEZNQCLSA-N 346.452 1.945 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)Nc1cccc(-n2nccc2C)c1 58331698 HACKTYJNZVPAGJ-CQSZACIVSA-N 347.444 1.909 0 40 EDAB CCC[C@H](C)NC(=O)[C@H]1CCCN(c2cc(C)nc3ncnn23)C1 58311154 GADNXAIUXLXJEC-JSGCOSHPSA-N 330.436 1.954 0 40 EDAB Cc1cccc(NC(=O)C2CCN(CC(=O)N[C@@H](C)C3CC3)CC2)n1 58330535 XESUXJUBFWIIHQ-AWEZNQCLSA-N 344.459 1.955 0 40 EDAB C[C@H](NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1)c1nncn1C 58325961 GFNHONDAIIRVMU-NSHDSACASA-N 329.404 1.834 0 40 EDAB Cc1cc(N2CCN(C(=O)c3cnn(C)c3)CC2)nc(C(C)C)n1 48260727 KAJMNYBHRQGHQU-UHFFFAOYSA-N 328.420 1.604 0 40 EDAB CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Br)cc1F 48490467 JSYQXCKFPFZASF-QMMMGPOBSA-N 333.157 1.414 0 40 EDAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 3893163 MULNFJIXGSYBJO-AWEZNQCLSA-N 330.344 1.757 0 40 EDAB C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 63194283 HMSKOBBOXVFYBW-GXSJLCMTSA-N 326.447 1.582 0 40 EDAB COc1ccc(CCNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1OC 4392180 OSWKWDKVKVPOLP-CYBMUJFWSA-N 341.429 1.187 0 40 EDAB CC(C)[C@H](NC(N)=O)C(=O)NCc1ccccc1Cn1cccn1 65428741 DPYSIISVARGZJM-HNNXBMFYSA-N 329.404 1.241 0 40 EDAB O=C(Nc1cccc(COCC2CC2)c1)N[C@H]1CCS(=O)(=O)C1 65477771 HZHWEMKQZMNMOU-HNNXBMFYSA-N 338.429 1.922 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CCc2nccn2C1 65463101 CYHDCPULZKWNRY-NSHDSACASA-N 340.412 1.850 0 40 EDAB CCNC(=O)CCCC(=O)NCCc1cnn(-c2ccccc2)c1 65522287 KKSMWKVTRSSBDZ-UHFFFAOYSA-N 328.416 1.837 0 40 EDAB c1cnn(-c2cncc(NCc3ccnc(N4CCOCC4)c3)n2)c1 69195286 UXFXAGUDTHVJQX-UHFFFAOYSA-N 337.387 1.506 0 40 EDAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)NC[C@@H]1CCCO1 8265518 ZCXZEOOQJIWMRI-PWSUYJOCSA-N 325.438 1.564 0 40 EDAB CSc1ccccc1NC(=O)CN1CCN(C(=O)C2CC2)CC1 14159200 KVFGHTPXVQJBGQ-UHFFFAOYSA-N 333.457 1.901 0 40 EDAB C[C@H]1CN(C(=O)CCn2cc(Br)ccc2=O)[C@H](C)CO1 70040657 UQVJMNKBQYCGGG-MNOVXSKESA-N 343.221 1.637 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306128806 HKZISHLLWOMIEV-HUUCEWRRSA-N 332.400 1.505 0 40 EDAB Cc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)N1CCOCC1 408606269 OLZMUQBHFORNPB-UHFFFAOYSA-N 340.445 1.402 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NCC[C@@H]3CCCO3)CC2=O)cc1 69388389 WZSDQPDPDHEUJM-RDJZCZTQSA-N 346.427 1.729 0 40 EDAB CN(C)CCN(CCCc1ccccc1)C(=O)CCn1ccnn1 66946148 QMBLDPKENUEMDW-UHFFFAOYSA-N 329.448 1.691 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CSc1nc(-c2ccncc2)n[nH]1 6906148 XGGWGYMNTGDTMA-UHFFFAOYSA-N 334.405 1.583 0 40 EDAB NC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccc(F)cc1 6944207 DFCLJKYYTLGIDB-UHFFFAOYSA-N 336.344 1.711 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H]3Cc4cc(F)ccc4O3)CCO2)n1 76045235 WMHRMYHNGBZPDU-KGLIPLIRSA-N 332.335 1.156 0 40 EDAB Cn1cc(CN2CCCN(C(=O)COc3ccc(F)cc3)CC2)cn1 69652639 VIJAVUBLDLPFNX-UHFFFAOYSA-N 346.406 1.673 0 40 EDAB CCN(CC)S(=O)(=O)CCNC(=O)N1CCc2ccccc2C1 69619940 ZAZQMFKZLAPDPR-UHFFFAOYSA-N 339.461 1.426 0 40 EDAB Cc1sc2ncnc(N3CCO[C@H](Cn4cncn4)C3)c2c1C 69779956 QZAUKIFYJCCVND-LBPRGKRZSA-N 330.417 1.805 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)NC2CCC(O)CC2)ccc1F 69716598 LVHWHMOIBPTYHB-UHFFFAOYSA-N 334.355 1.535 0 40 EDAB C[C@H](OCc1ccccc1)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 110623730 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332.447 1.255 0 40 EDAB CCOc1ccc(N2C(=O)C[C@H](N3CCC(OC)CC3)C2=O)cc1 19890133 ICZGELBSSCMGQS-INIZCTEOSA-N 332.400 1.828 0 40 EDAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(=O)[nH]c1 71797388 YMPSOAKCGTWSJD-MRXNPFEDSA-N 327.384 1.178 0 40 EDAB CCN1CCN([C@@H](C)CNc2ccccc2S(C)(=O)=O)CC1 96453478 BFTHCVATUVNOJU-AWEZNQCLSA-N 325.478 1.528 0 40 EDAB Cn1cc(CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)cn1 96429230 VIQZCEOXCQUZFX-UHFFFAOYSA-N 334.323 1.698 0 40 EDAB C[C@@H](CC(=O)Nc1cccc(F)c1)NC[C@H]1CCS(=O)(=O)C1 97016473 XVQOQMRMKQIRNH-NWDGAFQWSA-N 328.409 1.567 0 40 EDAB CCCOc1ccc(CNC(=O)c2ccc(-c3nnn[nH]3)cc2)cn1 71886521 QDJXDJDCPHMJOT-UHFFFAOYSA-N 338.371 1.981 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)Nc1cccnc1N1CCOCC1 71833031 IECNIDUXQPJMAO-JTQLQIEISA-N 333.310 1.824 0 40 EDAB O=C1C[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)CN1Cc1ccco1 71839806 ZXYPLXZBKLTYCK-HUUCEWRRSA-N 331.416 1.325 0 40 EDAB CN(CCCOc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 71833188 UHLWBQOGKBVLAR-LBPRGKRZSA-N 327.402 1.303 0 40 EDAB COC(=O)[C@H](C)CC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 79110298 REIPVRKIFFNKFQ-CYBMUJFWSA-N 347.415 1.998 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3cnn(C)c3)CC2)cc1 72718479 IDRFQVAVNWWEOA-UHFFFAOYSA-N 348.428 1.134 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 95395470 MBAIILPSKWORDK-MWLCHTKSSA-N 333.310 1.673 0 40 EDAB Cc1cccc(C(=O)N[C@H](C(=O)N2CCO[C@@H](C(=O)O)C2)C(C)C)c1 95425353 CGFLDRKZXQDOPA-CABCVRRESA-N 348.399 1.061 0 40 EDAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OC)c(O)c1 85413697 JKVQFTBSHMHNSH-HIFRSBDPSA-N 332.308 1.728 0 40 EDAB Cc1noc(C)c1CNC(=O)N1CCN(CCc2ccccn2)CC1 95955182 GUSULSHEOSKVNZ-UHFFFAOYSA-N 343.431 1.756 0 40 EDAB O=S(=O)(Cc1ccccc1F)Nc1cccc(-c2nnn[nH]2)c1 95941033 PHWOVDALKSDWKT-UHFFFAOYSA-N 333.348 1.948 0 40 EDAB Cn1ncnc1CNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 89293613 SFAVTGQSBNUFCZ-NSHDSACASA-N 329.187 1.862 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1 75092441 QBTWFQCQYOYZLA-YGRLFVJLSA-N 348.369 1.845 0 40 EDAB O=C([C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)N1CC[C@H](O)C1 89598112 LAHCFEFMHAVFJR-IDHTWPPDSA-N 346.471 1.787 0 40 EDAB COc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCOC3)cc1 26442206 VNNBWWNLLNYLCO-IBGZPJMESA-N 325.388 1.802 0 40 EDAB OC[C@@]12COCCN1CCN(c1cnc3cc(Cl)ccc3n1)C2 1548524359 BLEGQNUNJSIZOS-INIZCTEOSA-N 334.807 1.167 0 40 EDAB Cc1ccccc1-n1ncc2c(N[C@@H]3CCS(=O)(=O)C3)ncnc21 35586159 RSQGFFXWGWABLT-GFCCVEGCSA-N 343.412 1.723 0 40 EDAB Cc1cc(Nc2ncccc2C)nc([C@H]2CCCN(CC(N)=O)C2)n1 72360947 POYJQFSUNRFSDF-AWEZNQCLSA-N 340.431 1.897 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(Cl)c1 218511528 DZPXMTWLOUKYEI-KCQAQPDRSA-N 345.848 1.749 0 40 EDAB O=C(N[C@H]1CCSC1=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655755 GPYVHFFIFIOTJV-LBPRGKRZSA-N 340.351 1.185 0 40 EDAB NC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218629290 MOKXKSTYTPKBHM-ZOBUZTSGSA-N 349.383 1.795 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(NCCOC)c(C(=O)O)c1 217559144 SAAHXSASQXEQBV-JTQLQIEISA-N 330.406 1.520 0 40 EDAB COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)CNC(C)=O)c1 72380364 RAQPCQCYFYVGRC-INIZCTEOSA-N 342.399 1.885 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)C2(CO)CO)cc1 218049839 SDWLCSRWQZRCCY-SJORKVTESA-N 332.421 1.906 0 40 EDAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2cncn2-c2ccccc2)C1 76375314 XOEYJGAPOGCTEQ-ZFWWWQNUSA-N 347.440 1.958 0 40 EDAB COCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCC(C)C 217519150 MRKYASUFZQLPEF-UHFFFAOYSA-N 344.433 1.768 0 40 EDAB Cc1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)n(C)n1 72241645 KZKYYAJGZSJKER-JKSUJKDBSA-N 346.362 1.405 0 40 EDAB COC[C@@H](O)CNC(=O)NCCc1cn(C)c2cc(Cl)ccc12 225784271 OWHLROZANVLDDY-ZDUSSCGKSA-N 339.823 1.681 0 40 EDAB CN(C)c1cnnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 224313458 FFBXEBPZMFCKMG-UHFFFAOYSA-N 347.444 1.054 0 40 EDAB COc1ccc2cc(C(=O)N3CC[C@@H](N4C(=O)COC4=O)C3)[nH]c2c1 225702638 YABGFZRKLACFRW-LLVKDONJSA-N 343.339 1.370 0 40 EDAB C[C@H](NC(=O)COc1ccc(F)c(C(F)(F)F)c1)C(=O)N(C)C 190516592 FFKJWLZGLGEKDU-QMMMGPOBSA-N 336.285 1.816 0 40 EDAB CCOC(=O)CN(C)C(=O)CN(C)CP(=O)(OCC)OCC 521396511 NYAHKYLITHSWBW-UHFFFAOYSA-N 338.341 1.163 0 40 EDAB O=S(=O)(CCN1CCCC1)NCc1nc2ccccc2n1C1CC1 192840575 HYLCLWWYHSMNEZ-UHFFFAOYSA-N 348.472 1.886 0 40 EDAB Cc1cc(-c2noc(CNC(=O)c3cnn4cccnc34)n2)no1 225812104 MNWUJNAHXPALFO-UHFFFAOYSA-N 325.288 1.006 0 40 EDAB Cn1cccc1[C@H]1COCCN1Cc1nc2ccccc2c(=O)n1C 131829009 RZKWLSPJOPCKGQ-QGZVFWFLSA-N 338.411 1.846 0 40 EDAB COc1ccc(CNC(=O)c2nnn(-c3ccc(OC)cc3)n2)cc1 75163458 RAVKTRGBMPRSBD-UHFFFAOYSA-N 339.355 1.610 0 40 EDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)Cc3ccsc3)C2)n1 225405449 UAMUOHKUVCTAPC-CYBMUJFWSA-N 332.429 1.827 0 40 EDAB Cc1csc2ncnc(N3CCC[C@H](S(=O)(=O)N(C)C)C3)c12 575603933 ZWRSFZCXJDWIJY-NSHDSACASA-N 340.474 1.860 0 40 EDAB CCOc1ncnc2c1CN(C[C@H](O)COCc1cccs1)CC2 97200476 RABWDGFFSNODBP-ZDUSSCGKSA-N 349.456 1.873 0 40 EDAB O=C(C1CC=CC1)N1CCC2(CC1)CN(c1cccnc1)C(=O)CO2 96159135 UXSNWMCBWCKHMJ-UHFFFAOYSA-N 341.411 1.772 0 40 EDAB COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)n[nH]c1C 95472135 LFYURYPRDIVCCB-NSHDSACASA-N 344.371 1.309 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2n[nH]c3c2CCCCC3)cc1 96224069 NPAMYFPIJHUHRJ-UHFFFAOYSA-N 348.428 1.256 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccccn2)Cc2nccn2C1 96066836 SKMPHPPQTYLUKA-HNNXBMFYSA-N 343.431 1.015 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)NCCc2ccc3c(c2)CCO3)o1 577369599 IIAPWJKYERCFJL-UHFFFAOYSA-N 337.353 1.434 0 40 EDAB CCOC[C@H]1CN(S(=O)(=O)N(C)C)Cc2cnn(CC3CC3)c21 96198414 PATUWAGZTKUUHH-CQSZACIVSA-N 342.465 1.035 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)s1 97231029 VIRFRAYSSLPWNB-YUTCNCBUSA-N 344.502 1.738 0 40 EDAB CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCc2c(O)ncnc2C1 581908746 UHYSRQFCZHYCHB-AWEZNQCLSA-N 346.431 1.494 0 40 EDAB Cc1cn2nc(N[C@@H]3CCN(C(=O)C[C@H]4CCCCO4)C3)ccc2n1 578921325 BNDUPZKNNVNTHW-HUUCEWRRSA-N 343.431 2.010 0 40 EDAB Cc1cc(NCCNC(=O)[C@H]2C[C@H]2c2ccco2)n2ncnc2n1 96448358 NCYYLGHZIJKNRS-NEPJUHHUSA-N 326.360 1.358 0 40 EDAB O=C(c1cnccn1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 96157413 JLAKJVLUNAJQOV-UHFFFAOYSA-N 337.427 2.000 0 40 EDAB Cc1nc(C)c(C(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)s1 96122110 SBJAQSVXTQQTSH-UHFFFAOYSA-N 340.426 1.792 0 40 EDAB C[C@@H](Oc1cccc(Br)c1)C(=O)NN1CCOCC1 96435953 GLQPKABSYRYADV-SNVBAGLBSA-N 329.194 1.580 0 40 EDAB CN(C)C[C@H]1CN(S(=O)(=O)c2cccs2)Cc2nccn2C1 96188234 ACRQMUVRBRYLOZ-GFCCVEGCSA-N 340.474 1.327 0 40 EDAB CC(=O)N1C[C@H](NC(=O)c2cn(C)nc2C)CC[C@H]1C(F)(F)F 583618814 OMTVORDNCWUXKH-PWSUYJOCSA-N 332.326 1.400 0 40 EDAB O=C(CN1CCC[C@@H]1[C@H]1COCC[C@H]1O)NCc1ccccc1F 583614722 RWKVNPDTVWAMQQ-DJIMGWMZSA-N 336.407 1.304 0 40 EDAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3ccoc3)CC2)C1 247831607 HMXUPUSIZWSUNS-INIZCTEOSA-N 336.432 1.727 0 40 EDAB O=C(NCc1cccs1)[C@@H]1CN(C2CCOCC2)Cc2cncn21 247484889 KGZRJIBRABEIKQ-INIZCTEOSA-N 346.456 1.797 0 40 EDAB CN([C@H]1CCCN(c2ccccn2)C1)S(=O)(=O)c1cccnc1 257259376 KYCRMPBSXDZWGC-AWEZNQCLSA-N 332.429 1.766 0 40 EDAB Cc1ccnc([C@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1 257276289 NTCQZOSUYRPOFC-CYBMUJFWSA-N 345.403 1.824 0 40 EDAB CC(=O)N1CCN(C(=O)c2cn(C)nc2C)[C@@H](c2ccccc2)C1 257243840 IITPNCRRUPZEMF-QGZVFWFLSA-N 326.400 1.774 0 40 EDAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@H]2CCN(CC(N)=O)C2)n1 257240882 HVOBADVWRVCGPZ-LBPRGKRZSA-N 346.460 1.877 0 40 EDAB Cc1cc2nc([C@H]3CCCCN3C(=O)CN3CCCC3)cc(O)n2n1 257324870 WQNNDCLWGIOZGP-OAHLLOKOSA-N 343.431 1.893 0 40 EDAB CCNC(=O)C[S@@](=O)c1cccc(NC(=O)c2c[nH]cc2C)c1 585087422 AHNGRLFAQFJELG-HSZRJFAPSA-N 333.413 1.819 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](n2nccn2)C1 253472889 QJBBMDKFQSVRIJ-LLVKDONJSA-N 342.808 1.576 0 40 EDAB O=C(CCN1C(=O)CCCC1=O)OC[C@H]1CCCN2CCCC[C@H]12 253488460 AUPZDFOUVOMPGK-HUUCEWRRSA-N 336.432 1.723 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257331312 XSHYWUAUGPEAQW-OAHLLOKOSA-N 343.339 1.433 0 40 EDAB CN(C)CCOc1cccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 257232684 GLYBIMJKEFKRPP-HKUYNNGSSA-N 348.443 1.383 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)CCc2cn(C)nc2C)n1 257214582 CMNYDWNFODJTDP-HNNXBMFYSA-N 345.403 1.065 0 40 EDAB Cc1nc(N2CCN([C@@H](CC(C)C)C(=O)O)CC2)c2cnn(C)c2n1 629489229 VMGFFPYPRQYXOT-AWEZNQCLSA-N 346.435 1.293 0 40 EDAB Cn1cncc1CC(=O)N1CCCCCCNC(=O)[C@H]2CCC[C@H]21 606445680 COKBURAHUJFWGK-JKSUJKDBSA-N 332.448 1.650 0 40 EDAB Cc1cc(N2CCC[C@H]2CNC(=O)C2(C)CCOCC2)nc(C)n1 1100846742 CCBBHLWDIXKWNO-HNNXBMFYSA-N 332.448 1.995 0 40 EDAB COC(=O)c1ccc2c(S(=O)(=O)N3CCC[C@@H]4C[C@H]43)ncn2c1 1615001848 ALOYBGFOXQAPLC-ZWNOBZJWSA-N 335.385 1.294 0 40 EDAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)[C@H]2CCOC2)C3)n1 575406032 VNWLIHKWWRHKJC-DOTOQJQBSA-N 346.427 1.703 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)Cc2ccc(F)cc2Cl)[C@@H]1O 585287229 VBICTUXFTBAQHR-NFAWXSAZSA-N 331.771 1.255 0 40 EDAB NC(=O)CC[C@]1(O)CCCN(C(=O)c2cccc(F)c2Cl)C1 585279233 VNJTULGQNYPGPU-OAHLLOKOSA-N 328.771 1.712 0 40 EDAB CN1C[C@@H](COCC2CC2)C2(CCN(Cc3cnn(C)c3)CC2)C1 585102743 CSBZDICFUYLFLG-SFHVURJKSA-N 332.492 1.991 0 40 EDAB O=C(/C=C/c1cnc[nH]1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585287675 AGYANBVWKRCZQG-QQGHKFRYSA-N 339.395 1.569 0 40 EDAB O=C(CN1CCOCC1)N1CCN(CCCc2ccccc2)CC1 54993878 GHDDXQZHBICHFW-UHFFFAOYSA-N 331.460 1.096 0 40 EDAB COC(=O)CS(=O)(=O)CCC(=O)N1CCC[C@@H]1c1ccsc1 65577205 WHZFROIREZATKT-GFCCVEGCSA-N 345.442 1.390 0 40 EDAB CCCc1noc(CCCC(=O)NCCC(=O)Nc2cccnc2)n1 65626915 VZONKJRWKHEMCB-UHFFFAOYSA-N 345.403 1.885 0 40 EDAB Cc1nc(C)c(C(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)s1 70738620 UZGUCTZNVCCFHG-UHFFFAOYSA-N 346.460 1.578 0 40 EDAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CSc2nccc(=O)n2C1 85473912 QSVBRIXKSQWSEJ-VIFPVBQESA-N 348.453 1.939 0 40 EDAB O=C(c1cnccn1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 585502677 WIDNJSGYVZZEDY-UHFFFAOYSA-N 339.399 1.074 0 40 EDAB CCC(=O)N1CC[C@@H](NC(=O)c2cccc(OCC(=O)O)c2)[C@@H](C)C1 1616040595 VCVOSPKBQARJOP-SWLSCSKDSA-N 348.399 1.527 0 40 EDAB CCOc1ncccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 5938235 RAVCHZCXLAKQEZ-UHFFFAOYSA-N 335.385 1.058 0 40 EDAB C[C@H]1CN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@@H](C)O1 12684092 FAARHFWONFZYCA-BETUJISGSA-N 331.416 1.860 0 40 EDAB CCc1c(C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)csc1C 13132662 UMYTWNNDLRIQMO-FNFFVJSTSA-N 334.397 1.426 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(CC(N)=O)cc1 13849644 GCEWBRSJWHKMLJ-UHFFFAOYSA-N 334.397 1.832 0 40 EDAB Cc1cnc(C(=O)N2CCc3nc4ccccc4c(=O)n3CC2)cn1 19238935 PTTNCIVREZJZLK-UHFFFAOYSA-N 335.367 1.193 0 40 EDAB O=C(CCN1C(=O)COc2ccc(Cl)cc21)NCCn1ccnc1 19345941 ZPSLVYQECAGFSE-UHFFFAOYSA-N 348.790 1.468 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C(F)(F)F)C[C@H](C1)C2O 169804882 BGRGPWUWODMPRE-ULKQDVFKSA-N 338.326 1.235 0 40 EDAB COCCNC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206790188 MHSLEEHIQHQWJB-LLVKDONJSA-N 332.326 1.625 0 40 EDAB O=C(c1ccsc1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225602229 KPLPGKDAVVGIOY-UHFFFAOYSA-N 344.440 1.879 0 40 EDAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)[C@H]1CCOC1 245053592 PBXQKAUKUKKECV-JTQLQIEISA-N 344.337 1.617 0 40 EDAB CC(=O)N[C@H](CO)CC(=O)c1ccc2c(c1N)C(=O)CC(C)(C)O2 15248714 VXRAAUKUZQYZRW-JTQLQIEISA-N 334.372 1.082 0 40 EDAB endogenous,in-man CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)[C@@H]4CCCO4)C[C@H]3C2)nn1 1888846773 NCSRHYZXBQEZLR-ZNMIVQPWSA-N 344.459 1.848 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1OC 33212374 YESVJHZNJUWBDJ-CQSZACIVSA-N 342.399 1.622 0 40 EDAB CC(C)NC(=O)c1ncn2c1CN(C(=O)C1CC(F)(F)C1)CCC2 1565553880 MCYUYVAQFVHKNS-UHFFFAOYSA-N 340.374 1.799 0 40 EDAB CCCC(=O)Nc1nnc(SCC(=O)NC[C@H]2CCCO2)s1 4328630 NYSXHXDSEZXKFL-SECBINFHSA-N 344.462 1.664 0 40 EDAB CN1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 5195472 IOTXYZXKSJVWDN-ZDUSSCGKSA-N 336.823 1.402 0 40 EDAB O=S(=O)(c1cc(F)ccc1F)N1CC(Oc2nccs2)C1 208033103 HLQMOAWSEICVIQ-UHFFFAOYSA-N 332.353 1.873 0 40 EDAB O=C(CCc1cccc(Cl)c1)N1CC[C@@H](N2C(=O)COC2=O)C1 225701003 FEMWKGHSLAGSEX-CYBMUJFWSA-N 336.775 1.852 0 40 EDAB COc1ccc2o/c(=N\c3ccc(C(N)=O)cc3)c(C(N)=O)cc2c1 191899 ZIPDFWYOMXOASH-UZYVYHOESA-N 337.335 1.872 0 40 EDAB O=c1/c(=C\c2ccncc2)sc2n1CN(c1cccc(F)c1)CN=2 5855502 UWZOAPSMAWIJDD-OVCLIPMQSA-N 340.383 1.328 0 40 EDAB CCOC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1 62780 KXLYGVCUBQFBET-HNNXBMFYSA-N 348.355 1.429 0 40 EDAB CCOCc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OC 40468091 UJYKMYISGFWHCP-ZDUSSCGKSA-N 327.402 1.149 0 40 EDAB CN(Cc1ccco1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 40477518 BBEPQLVDRWOQSX-UHFFFAOYSA-N 343.426 1.723 0 40 EDAB COc1cc2nc(CN3C[C@@H](C)OC[C@H]3C)[nH]c(=O)c2cc1OC 40501451 FKWXYMBOIXBQKY-GHMZBOCLSA-N 333.388 1.550 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)NCC1(c2ccc(F)cc2)CCCC1 40541098 NMXNRCJVJNTFIY-UHFFFAOYSA-N 345.374 1.304 0 40 EDAB COc1ccc(CC(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1F 40553706 KFWJPRDSHCGPBX-AWEZNQCLSA-N 344.390 1.952 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)cn1)[C@@H]1CC(=O)N(CC2CC2)C1 40511972 QNKORQFJIOIPNN-CQSZACIVSA-N 344.415 1.115 0 40 EDAB CCN(CC)CCCSC(=N)NS(=O)(=O)c1ccc(N)cc1 4362795 BXSIWKIZPFJNEY-UHFFFAOYSA-N 344.506 1.947 0 40 EDAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCN(c2ncccn2)CC1 20745626 JLXAXHQOCKPLCR-INIZCTEOSA-N 337.383 1.906 0 40 EDAB Cc1ccc(CNS(=O)(=O)c2c(C)nc3sccn3c2=O)cc1 6822856 AJRXDUXYYYORFO-UHFFFAOYSA-N 349.437 1.851 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)NCCN2CCCCCC2=O)c1 32443953 IKVPFYGVOZQVPK-UHFFFAOYSA-N 328.409 1.815 0 40 EDAB COC(=O)C1(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)CCC(C)CC1 71903480 BYVDFEMMGXFLML-MQYJIDSJSA-N 333.450 1.436 0 40 EDAB COCCOc1cc(NC(=O)[C@H]2C(=O)N(C)N=C2C)ccc1OC 101901763 FMIQJSHXVRJNRY-AWEZNQCLSA-N 335.360 1.123 0 40 EDAB COC[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 32674226 WXMAXWQEWWDWBU-RISCZKNCSA-N 344.408 1.130 0 40 EDAB O[C@H]1O[C@@H]2CC[C@@H]3C[C@@H]4[C@H]5C[C@H]6CC[C@H]7O[C@@H](O)[C@@H]([C@@H]1[C@H]4[C@H]32)[C@@H]5[C@@H]67 104290452 LLQSWWSEGPPGKJ-ZLQHCZQDSA-N 332.440 1.991 0 40 EDAB COC(=O)c1nnn([C@@H](C)C(=O)Nc2ccc(C)cc2)c1C(=O)OC 2686755 JDGMTRHFDCMGNN-JTQLQIEISA-N 346.343 1.359 0 40 EDAB O[C@H](COc1ccccc1)CSc1nnnn1C[C@@H]1CCCO1 32814783 WTQJFDNVTAPUTH-OCCSQVGLSA-N 336.417 1.384 0 40 EDAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OC(C)C)[C@H]4C2=O)cc1 488919 BSTNPDGBHFHFRZ-OAFZBRQQSA-N 343.379 1.933 0 40 EDAB biogenic O=C(NN1CCCCC1=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 102641118 FXBBMCOTWZZPAR-HNNXBMFYSA-N 329.400 1.264 0 40 EDAB COc1ccc2c(ccn2CC(=O)NCC2(C(N)=O)CCOCC2)c1 52745027 BHOGRIAQSPAIKS-UHFFFAOYSA-N 345.399 1.048 0 40 EDAB O=C(c1cccs1)N1CCN(S(=O)(=O)c2cccnc2)CC1 33089809 FDKRFXZXRBETJI-UHFFFAOYSA-N 337.426 1.290 0 40 EDAB Cn1cc(C(=O)NC2CC3(CCN(Cc4cccnc4)C3)C2)cn1 108528320 RYSZFNJPJFOCHE-UHFFFAOYSA-N 325.416 1.600 0 40 EDAB COC(=O)c1cnn2c(=O)c3c([nH]c12)CCN(Cc1ccccc1)C3 101414520 WJCAQLLTIQWYLB-UHFFFAOYSA-N 338.367 1.368 0 40 EDAB O=C1NCCN1C1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1 53282109 NPQBFRFVOGVJPQ-UHFFFAOYSA-N 345.378 1.865 0 40 EDAB COCCN1CCCC2(CCN(C(=O)Cc3ccccn3)CC2)C1=O 108534529 ZUTOBSOLSYEZKW-UHFFFAOYSA-N 345.443 1.502 0 40 EDAB CCCCc1nc(C)c(C(=O)NC2CCN(CC(N)=O)CC2)s1 46747252 LCQLPNYTSOARAD-UHFFFAOYSA-N 338.477 1.474 0 40 EDAB C[C@@H]1CN(CCNS(=O)(=O)c2cc(F)cc(F)c2)C[C@@H](C)O1 41892512 QULHSLHUUKBDDK-GHMZBOCLSA-N 334.388 1.352 0 40 EDAB Cc1cc(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)no1 41952120 QNYMXRNICSFVOU-CQSZACIVSA-N 334.445 1.763 0 40 EDAB Cc1nnc(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)s1 22604732 TUZMVYDEXWKOMF-UHFFFAOYSA-N 327.369 1.709 0 40 EDAB CC1CCN(CCCNC(=O)CN2C(=O)COc3ccccc32)CC1 2954107 MXNZGGJNWBNINM-UHFFFAOYSA-N 345.443 1.650 0 40 EDAB Cc1nc(NC(=O)CN2CCN(c3nccs3)CC2)sc1C 54635533 KJVXKSAJGLKNKZ-UHFFFAOYSA-N 337.474 1.977 0 40 EDAB CN(Cc1nccn1C(F)F)CN1C(=O)NC2(CCCCC2)C1=O 12519917 YHKFIZNYRNELER-UHFFFAOYSA-N 341.362 1.922 0 40 EDAB O=C(Cn1cncn1)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 106835173 LVKCSQUMBPJGLF-ZWKOTPCHSA-N 339.443 1.934 0 40 EDAB COc1cc(CNCc2c(C)nn(C)c2N2CCOCC2)ccn1 58407396 DUWFBWFROCYYEC-UHFFFAOYSA-N 331.420 1.259 0 40 EDAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cn(-c2ccccc2)nn1 43283375 GGEVMACXHVXYJE-HNNXBMFYSA-N 338.371 1.895 0 40 EDAB Cc1nc(CN2CC[C@@H]3OCCN(C(=O)c4ccsc4)[C@H]3C2)c[nH]1 108525733 SVRCUMSMSFLYJL-HOTGVXAUSA-N 346.456 1.895 0 40 EDAB C[C@H]1CCCN(CCNC(=O)C2CCN(Cc3nccn3C)CC2)C1 55377788 WVARAHLPLCNUQV-INIZCTEOSA-N 347.507 1.480 0 40 EDAB C[C@@H](C(=O)N1CCN(C(=O)C2CC2)CC1)n1c(=O)oc2ccccc21 25169705 AYVFNWIEGSMOJX-LBPRGKRZSA-N 343.383 1.236 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1 306135766 PABGPXYPJWPLKM-VNQPRFMTSA-N 343.427 1.475 0 40 EDAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1noc(C2CC2)n1 57843638 QCPMSGANWQZDGB-SNVBAGLBSA-N 336.417 1.787 0 40 EDAB COC(=O)c1occc1CN1CCc2cc(S(N)(=O)=O)ccc21 27551826 DKGGHHZQURLOFC-UHFFFAOYSA-N 336.369 1.276 0 40 EDAB O=C(NCCc1nnc2n1CCC2)c1ncoc1-c1cccs1 89800055 KPGTUVFJLZMLHM-UHFFFAOYSA-N 329.385 1.913 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1ccccc1 2129950 COWBQAPHSZVTBC-ZDUSSCGKSA-N 326.352 1.561 0 40 EDAB biogenic Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)C)C1 58226029 GOCIQPNATCDBTQ-GFCCVEGCSA-N 328.409 1.623 0 40 EDAB c1cn(-c2ccc(CNCc3cnc(N4CCCC4)nc3)cn2)cn1 58230285 KUWXPQMZDJDMNO-UHFFFAOYSA-N 335.415 1.947 0 40 EDAB CCCS(=O)(=O)N1CCC(NC(=O)c2scnc2C)CC1 44938969 ADVZLYSGIRXVEQ-UHFFFAOYSA-N 331.463 1.386 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 27801647 NUQDEKMVENZDAQ-BBRMVZONSA-N 340.383 1.354 0 40 EDAB CC(=O)NCCNC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 48100978 LTBZPTSBUZWZER-ZDUSSCGKSA-N 346.431 1.959 0 40 EDAB O=C(NCCN1CCOCC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 58332564 GVFBNIXOUFEIGB-KRWDZBQOSA-N 349.450 1.486 0 40 EDAB CCc1ccc(C(=O)N2CCN(c3cc(C(N)=O)ccn3)CC2)cc1 58344201 YRPTZHYLHCTELC-UHFFFAOYSA-N 338.411 1.705 0 40 EDAB CC[C@@H](C)NC(=O)CCNC(=O)[C@H]1CCCN(c2ncccn2)C1 58356490 QXJWFPXKQXGXQP-KGLIPLIRSA-N 333.436 1.114 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(-n2cnnn2)cc1 10446654 KLHOPJXTVDSVMV-UHFFFAOYSA-N 337.339 1.962 0 40 EDAB O=C1N=C(O)C[C@@H]1N(C(=O)c1occc1Br)C1CC1 81728159 AUKHZVIYHTZCBK-QMMMGPOBSA-N 327.134 1.902 0 40 EDAB CC[C@H](CO)NC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 2241773 OAVBRRLPPHLPTI-SECBINFHSA-N 345.428 1.719 0 40 EDAB CC1(C)COCCN1CCNS(=O)(=O)c1ccc2c(c1)CCO2 58430633 QQMXXHORPMGYLN-UHFFFAOYSA-N 340.445 1.011 0 40 EDAB COC(=O)CNC(=O)COC(=O)c1cc2ccccc2cc1OC 3311208 VPIWNZUPTXCFCA-UHFFFAOYSA-N 331.324 1.294 0 40 EDAB CCOC(=O)[C@H]1CCCN(CCCc2nnnn2-c2ccccc2)C1 48272771 KELCGCOKBPOIJD-HNNXBMFYSA-N 343.431 1.870 0 40 EDAB CCOc1ccc(Cl)c(C(=O)N2CCN(C[C@@H](O)CC)CC2)n1 70017787 ASGJEMKBHGUKNW-LBPRGKRZSA-N 341.839 1.662 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)[C@H](c2ccccc2)n2cccn2)CC1 70003947 CFZBSYVUKISHOT-MSOLQXFVSA-N 342.443 1.388 0 40 EDAB CCOc1ccc(Br)cc1CNCCNC[C@H](C)O 22075947 LXLVXDFEYQTQCG-NSHDSACASA-N 331.254 1.908 0 40 EDAB COc1cc(OC)cc(C(=O)NCC(=O)NCc2ccccn2)c1 12941169 ZPWAODWLTPPYBZ-UHFFFAOYSA-N 329.356 1.145 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 21845023 BUVYGJNTCNQUCW-LBPRGKRZSA-N 343.408 1.462 0 40 EDAB NC(=O)CN1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1 69444156 CBSCSWIYLKRDBH-UHFFFAOYSA-N 347.434 1.657 0 40 EDAB CCc1ccccc1N(CC(=O)NCc1cccnc1)S(C)(=O)=O 20236845 FXEMNRYCQYJJTE-UHFFFAOYSA-N 347.440 1.726 0 40 EDAB Cc1cc(=O)oc2c3c(ccc12)OCN([C@]1(C)CCS(=O)(=O)C1)C3 13628089 PYTIOBVZGYPBJQ-QGZVFWFLSA-N 349.408 1.831 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)[C@@H]1C 69509381 FJTAKGYOJDAFFV-UMVBOHGHSA-N 345.509 1.877 0 40 EDAB CN(CC(=O)N[C@H](Cc1ccccc1)C1CCCC1)S(C)(=O)=O 69663564 XFYIJWYHIOVWSX-MRXNPFEDSA-N 338.473 1.796 0 40 EDAB COc1cc(C(=O)Nc2c(C(N)=O)n[nH]c2C)cc(Cl)c1OC 65489917 AMUVOPGQRJHZMV-UHFFFAOYSA-N 338.751 1.740 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2c(C)noc2C)C(N)=O)cc1 65478316 VKLPSZNSCLEGEK-AWEZNQCLSA-N 345.399 1.764 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)CCC(=O)N1CCSc2ccccc21 65575507 QAUHUTQMOUTKQV-LBPRGKRZSA-N 349.456 1.546 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@@H](c1ccc(OC)cc1)NC(=O)N2 14135138 KTDMDCMCJYMKEG-MRXNPFEDSA-N 345.399 1.572 0 40 EDAB COc1ccc(-n2ccc(C(=O)N3CCC[C@H]3C(=O)N(C)C)n2)cc1 69775285 XTLUUCLUAJTKDA-INIZCTEOSA-N 342.399 1.574 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(CCC(=O)Nc3cc(C)on3)C2)n1 69701385 HMHJLJCHODHKAO-OAHLLOKOSA-N 346.435 1.932 0 40 EDAB CCCCNC(=O)CCNC(=O)N1CCn2c1nc1ccccc12 6672093 MTHWCXRWVGTTKI-UHFFFAOYSA-N 329.404 1.872 0 40 EDAB COc1ccc(C)cc1CN1CCN(c2ccc3nncn3n2)CC1 69878494 ABBNNVJXMWBWKY-UHFFFAOYSA-N 338.415 1.764 0 40 EDAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN([C@H](C)C(N)=O)CC1 69844629 DKOBUWZYZNUUPH-VXGBXAGGSA-N 339.823 1.125 0 40 EDAB Cc1ccc(N(C)C2CCN(C(=O)c3ncccc3O)CC2)nn1 69877997 GNILRKRNWGOBMR-UHFFFAOYSA-N 327.388 1.627 0 40 EDAB COc1ccc(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 6993061 JMUQPVARSFNZPP-UHFFFAOYSA-N 331.372 1.524 0 40 EDAB CN(C)C(=O)COc1ccccc1CNCc1ccnc(N(C)C)c1 67187482 GGOYOAKXQQFFKR-UHFFFAOYSA-N 342.443 1.904 0 40 EDAB CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3ccccn3)n[nH]2)CC1 64875402 SAFMOBGHYFQCLV-UHFFFAOYSA-N 344.419 1.919 0 40 EDAB C[C@@H](Sc1nncn1C)C(=O)c1ccc(NS(C)(=O)=O)cc1 7026390 KLAIKPUGUGLNRP-SECBINFHSA-N 340.430 1.550 0 40 EDAB Cc1cccc(N2CCN(C(=O)CNCCn3cc(C)cn3)CC2)c1 69974019 MUDKWVBBQSDEAH-UHFFFAOYSA-N 341.459 1.438 0 40 EDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)C(C)C)C2=O)cc1 8734585 ITMZGUUFGQINCF-SGTLLEGYSA-N 347.415 1.623 0 40 EDAB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(F)cc1)C1=C(COC1=O)N2 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1.142 0 40 EDAB CS(=O)(=O)CCC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 71886306 FDDBZZZLOCASOU-GFCCVEGCSA-N 345.392 1.757 0 40 EDAB CCOC(=O)CCNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 71850327 ZWSRQSPUZIAZHZ-UHFFFAOYSA-N 343.405 1.012 0 40 EDAB O=C(Cc1cc2ccccc2[nH]c1=O)N1CCN(CC2CC2)CC1 71829916 HEJKSDGLDZCHEH-UHFFFAOYSA-N 325.412 1.625 0 40 EDAB O=C(CCN1CCn2c(nnc2C2CC2)C1)N1CCc2ccccc21 71880303 BDVHXVVGRVNXLM-UHFFFAOYSA-N 337.427 1.951 0 40 EDAB COc1ccc(CSCC(=O)N[C@@H]2CCCCNC2=O)cc1F 78555557 YVBXZUDCPGYHPV-CYBMUJFWSA-N 340.420 1.852 0 40 EDAB O=C(c1cccc2ncccc12)N1CCN([C@H]2CCC[C@@H]2O)CC1 72268973 MUMJWKLJYNOARH-ROUUACIJSA-N 325.412 1.906 0 40 EDAB CCN1C[C@H](C(=O)N2CCCC[C@H]2Cn2nc(C)cc2C)CC1=O 72279949 QYUVZDBKTXUYDT-CVEARBPZSA-N 332.448 1.749 0 40 EDAB C[C@H](C(=O)NCCc1cccs1)N1CCC[C@@H]1Cn1cncn1 72267526 LLCMPABEDLDLIC-ZIAGYGMSSA-N 333.461 1.551 0 40 EDAB CC(C)(C)c1noc(CCC(=O)N2CCC[C@@H](n3cncn3)C2)n1 72234862 NCLHTYHGIVKCDJ-GFCCVEGCSA-N 332.408 1.755 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1OC 72269468 JCMYGBXIVJZZIY-CVEARBPZSA-N 348.443 1.304 0 40 EDAB O=C(N1CCN([C@H]2CCC[C@H]2O)CC1)C1(c2ccc(F)cc2)CC1 78789523 WHMLRRGLNIHRDG-DLBZAZTESA-N 332.419 1.915 0 40 EDAB CCc1n[nH]c(CN2CCCN(C(=O)c3ccc(F)cc3F)CC2)n1 97163429 UTARMUXAVDFVSX-UHFFFAOYSA-N 349.385 1.993 0 40 EDAB CC[C@@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCS1 72303592 OFSNDIFNBLBBLS-GFCCVEGCSA-N 339.461 1.595 0 40 EDAB CC1CCN(C(=O)[C@H](C)NC[C@H]2CCO[C@@H]2c2cnn(C)c2)CC1 84697921 QMYARIMBXRUSCJ-UXLLHSPISA-N 334.464 1.734 0 40 EDAB Cc1cc(CN2CCN(C(=O)NC[C@H]3CCN(C4CC4)C3)CC2)on1 79459863 UXBKDVWLVNBVTG-OAHLLOKOSA-N 347.463 1.295 0 40 EDAB Cc1c(CNC(=O)NCc2cccc(-n3cncn3)c2)cnn1C 95442722 MSWAMSOZCOVEQE-UHFFFAOYSA-N 325.376 1.309 0 40 EDAB CC(C)Cc1n[nH]c(NC(=O)Cn2nc(-c3ccco3)ccc2=O)n1 95477269 LTDRYUBHJWGZGD-UHFFFAOYSA-N 342.359 1.459 0 40 EDAB C[C@@H](NC(=O)C[S@@](=O)Cc1ccc(Cl)s1)C(=O)N(C)C 95417591 QPFBDQLJPJMXJO-ZPWHCFADSA-N 336.866 1.243 0 40 EDAB O=C(NC1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1)c1ccc[nH]1 95987337 KEYTWSTUGGKGLJ-QZTJIDSGSA-N 325.412 1.867 0 40 EDAB CC(=O)N1CCOC[C@H]1C(=O)N[C@H](C)CCc1ccc(F)c(F)c1 95978666 MCMCQSLMBVDZAQ-BZNIZROVSA-N 340.370 1.649 0 40 EDAB Cn1ncnc1CNC(=O)Nc1cnc(Cl)c(Br)c1 95942321 FZTQCBMAUWCAKA-UHFFFAOYSA-N 345.588 1.948 0 40 EDAB CCc1n[nH]c([C@@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)n1 89289810 MCQMJOTWTRNDPD-JSGCOSHPSA-N 333.367 1.106 0 40 EDAB O=C(c1ccc(N2C(=O)c3cncnc3C2=O)cc1)N1CCCCC1 408974550 BJQSNNZQOYLKQN-UHFFFAOYSA-N 336.351 1.903 0 40 EDAB CCOC(=O)C(=O)NC1CCN(C(=O)c2c[nH]c3ccccc23)CC1 61717862 UHCOHZKIBJSSEQ-UHFFFAOYSA-N 343.383 1.452 0 40 EDAB NC(=O)NC(=O)CN1CCO[C@H](c2nc(-c3ccccc3)cs2)C1 65475870 GNQVSUXWWYRCIG-ZDUSSCGKSA-N 346.412 1.378 0 40 EDAB COCCN1CC[C@]2(CN(C(=O)Cc3cccc(F)c3)C[C@H]2C)C1=O 306125569 CUCSUBUQZDBVFZ-AUUYWEPGSA-N 348.418 1.712 0 40 EDAB C[C@H]1CC(=O)Nc2c1c(NC(=O)c1ccc3c(c1)OCO3)nn2C 35597800 MMVPKQAQUSHRQN-QMMMGPOBSA-N 328.328 1.847 0 40 EDAB CCNCC1CCN(C(=O)[C@]2(c3ccccc3)CCC(=O)NC2)CC1 516312961 LIITXWPZYLFETJ-HXUWFJFHSA-N 343.471 1.683 0 40 EDAB CN(CC(=O)Nc1cccc(Cn2cnnc2)c1)[C@H]1CCSC1 126469715 VGRKQMGSWSHTQW-HNNXBMFYSA-N 331.445 1.702 0 40 EDAB COC(=O)c1cn(Cc2cccc(C(=O)O)c2)cc2c(O)nnc1-2 524733107 VAXBAUVWNSIVQP-UHFFFAOYSA-N 327.296 1.622 0 40 EDAB COCCN1CN(c2ccc(OC)cc2)c2nc(C)c(C)c(=O)n2C1 36125664 ZQWUCPAYOQKLOM-UHFFFAOYSA-N 344.415 1.884 0 40 EDAB CC(C)Cc1nnc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)s1 75995608 FEMDJOLADCJTNI-VIFPVBQESA-N 332.451 1.293 0 40 EDAB Cc1cc(N(C)C)nc([C@@]2(C)CCCN2C(=O)c2cnccn2)n1 72388428 VHXZPTWNYYOHAN-QGZVFWFLSA-N 326.404 1.792 0 40 EDAB CCOC(=O)c1nc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)sc1C 71280606 HHQYCDDZOQZUKE-SFYZADRCSA-N 326.374 1.924 0 40 EDAB CS(=O)(=O)C1(C(=O)Nc2ccc3c(c2F)CCNC3)CCC1 565945751 VZMBXVMSZFYFOR-UHFFFAOYSA-N 326.393 1.377 0 40 EDAB CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)[C@H](C)N)C1 79412932 YGIOWVCQSYASDA-HOCLYGCPSA-N 333.432 1.982 0 40 EDAB O=C(c1cccnc1)N1CCNC[C@H](COCc2ccccc2)C1 72354471 SLDABXLLPPVKDW-KRWDZBQOSA-N 325.412 1.960 0 40 EDAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2I)CN1 42783191 KCOVGPOOXZQZFI-WPRPVWTQSA-N 347.152 1.574 0 40 EDAB Cc1nnc2c(N3CCN(C(=O)Cc4ccsc4)CC3)nccn12 225799906 MFRFTVVMWZXUQD-UHFFFAOYSA-N 342.428 1.386 0 40 EDAB CN1CC[C@H](NC(=O)C[C@@](O)(c2ccccc2)C(F)(F)F)C1=O 195566772 BBIPGCNGBJKSIG-SMDDNHRTSA-N 330.306 1.174 0 40 EDAB Cn1c(C(F)(F)F)nn(CCNC(=O)Nc2cccs2)c1=O 85555782 IVMRGVSMFZUISZ-UHFFFAOYSA-N 335.311 1.484 0 40 EDAB Cn1[nH]c([C@H]2CCCN2C(=O)c2csc(C(F)(F)F)n2)nc1=N 575026486 WQUAPSGHQXIIMR-SSDOTTSWSA-N 346.338 1.680 0 40 EDAB C[C@H](C(=O)N(C)C)S(=O)(=O)NC1(c2ccc(F)cc2F)CCC1 194041608 PHLQFKMYOSJSGB-SNVBAGLBSA-N 346.399 1.740 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 195261134 PYWLYVBOTPTEGV-CYBMUJFWSA-N 335.429 1.915 0 40 EDAB C[C@H]1CN(C2CCOCC2)CCN1Cc1nc(CC(F)(F)F)no1 330182710 HLGXJLUEWZERNE-NSHDSACASA-N 348.369 1.860 0 40 EDAB COc1cc(N2CCC[C@@]3(CCN(C(=O)[C@@H]4CCOC4)C3)C2)ncn1 96216598 JZEVHDYOAHXCHX-RDTXWAMCSA-N 346.431 1.341 0 40 EDAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(CC1CCOCC1)CC2 96061536 CONZULOVBPCHOK-KRWDZBQOSA-N 346.475 1.627 0 40 EDAB CS(=O)(=O)CCC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 96407379 OAIMIIWSFUHGET-ZDUSSCGKSA-N 328.409 1.345 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)N1CCCC1)C2 96227453 QPQBSVGOVWZDLY-APWZRJJASA-N 342.443 1.968 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2CCN(c3cnn(C)c3)C(=O)[C@@H]2C1 96082121 CBHZPXCVQQMGKM-CZUORRHYSA-N 329.404 1.510 0 40 EDAB CCc1cnc(N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)nc1 96074835 NGWFJBLNHXTTJO-SFHVURJKSA-N 340.431 1.705 0 40 EDAB COc1ncccc1CN1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 96217270 CJBDAALKCWDAFF-RRFJBIMHSA-N 330.388 1.614 0 40 EDAB COCCN1CC2(CCN(Cc3cccnc3)CC2)[C@@H](COC)C1=O 96206418 ZDASNCXNRMLGML-KRWDZBQOSA-N 347.459 1.415 0 40 EDAB COCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(F)cc1 96182673 CXYDREIBVSJJGK-UHFFFAOYSA-N 346.362 1.851 0 40 EDAB Cc1nc(C[S@@](=O)Cc2ccnc(-c3ccc(F)cc3)n2)oc1C 97370497 HWCCAPWXGVMJOC-VCGICTTQSA-N 345.399 3.336 0 40 EDAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCCn1ccnc1 96436119 LPOSGVZMWCJGBH-KRWDZBQOSA-N 328.416 1.290 0 40 EDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)NC2CCCC2)cn1 96186521 MYNIGYRCQJFWGV-HUUCEWRRSA-N 331.420 1.642 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CCN(Cc3nccs3)C2)CC1 96157456 UEZKWBHMCCCMTG-AWEZNQCLSA-N 335.473 1.994 0 40 EDAB Fc1ccc(CN2CCOC[C@@]3(C[C@H](Cn4cnnc4)CO3)C2)cc1 96240628 IRVKFJCUNIBEPQ-SJLPKXTDSA-N 346.406 1.725 0 40 EDAB Cn1cc(CCCNC(=O)N2CC[C@H](Oc3cccnc3)C2)cn1 96474812 FENAOLKFRHUZSF-INIZCTEOSA-N 329.404 1.611 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C)C2(CCCCC2)C1 583651798 SNLWKIODNVIYKH-UHFFFAOYSA-N 340.493 1.676 0 40 EDAB Cn1cccc1[C@H]1COCCN1[C@H]1CCN(CC(F)(F)F)C1=O 249283547 OMALMISIVFIKSV-QWHCGFSZSA-N 331.338 1.562 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nccs2)o1 536896104 GBLJBNQIDSJSLJ-JTQLQIEISA-N 341.414 1.836 0 40 EDAB Cc1ncoc1C(=O)N1C[C@H]2CC[C@@H](N(C)c3cnccn3)[C@H]2C1 257302439 SCYQELROZBIGQR-HZSPNIEDSA-N 327.388 1.760 0 40 EDAB O=C(CCCn1cccn1)N1CCO[C@@H](CCc2ccncn2)C1 257242971 IEYXXUPIMGGWRZ-INIZCTEOSA-N 329.404 1.314 0 40 EDAB COc1nc(OC)nc(N2CCN(C(C)=O)C[C@@H]2c2ccccc2)n1 257331993 XVGANUICAHBWSA-CQSZACIVSA-N 343.387 1.299 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)CCn3ccnc3)CCO2)n1 257278762 ODOPFEADPLTLJA-OAHLLOKOSA-N 329.404 1.334 0 40 EDAB NC(=O)c1ccc(C(=O)N2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1 585088046 IFZCJBJZIMQYSG-NEPJUHHUSA-N 330.306 1.703 0 40 EDAB Cc1occc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 585087240 VDJJKDZOFKOING-GFCCVEGCSA-N 343.401 1.169 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)[C@@H]2CO[C@@H]3C=CC=C[C@H]3O2)CC1 252585609 JUMRYALZEUMCEM-OAGGEKHMSA-N 334.416 1.028 0 40 EDAB COCc1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)cc1 257222786 DURPNEFJKPQCLD-KZNAEPCWSA-N 332.444 1.941 0 40 EDAB CN(C)c1cc(N2CCC[C@@](C)(C(=O)Nc3ncc[nH]3)C2)ncn1 257328094 XEBVBCCSIBKWMG-MRXNPFEDSA-N 329.408 1.511 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)c3c(C)noc3C)CCO2)ncn1 257284048 PBBHMUARUQNQJM-HNNXBMFYSA-N 330.388 1.864 0 40 EDAB C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)C[C@@H]1CN(C)CCO1 585115741 QKXFJDHQFSIJKA-DOMZBBRYSA-N 330.425 1.479 0 40 EDAB NS(=O)(=O)c1ccc(SCC(=O)N[C@@H]2CC=CCC2)cc1 585135469 LLBZRZMGQLFUOO-LLVKDONJSA-N 326.443 1.651 0 40 EDAB C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(Cc1nc(O)n[nH]1)C2 585133239 BWICLHUDKDFUNK-HDICACEKSA-N 327.432 1.854 0 40 EDAB O=C(NCCS(=O)(=O)C(F)(F)F)Nc1cccc2c1OCO2 585120075 OSPQHQJGAHOGTA-UHFFFAOYSA-N 340.279 1.471 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cnc(S)n2C2CC2)C1 585121653 VEDJSFJMASIWTK-GFCCVEGCSA-N 348.472 1.885 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccncc2)C1 257252199 JTWYLHDDZLTOHR-LJQANCHMSA-N 343.402 1.930 0 40 EDAB O=S(=O)(Cc1ccc(F)cc1)N1CC[C@H](O)[C@]2(CCCO2)C1 257214241 CLERGOHCYNKMNQ-GJZGRUSLSA-N 329.393 1.271 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCOC2(CCOCC2)C1 90608834 KZWDCKPREJTDJX-DUXPYHPUSA-N 331.368 1.837 0 40 EDAB COC[C@H]1CC[C@H]1NC(=O)NCc1ccccc1S(C)(=O)=O 1615038423 VPESSURRFAKBQZ-CHWSQXEVSA-N 326.418 1.314 0 40 EDAB N[C@H]1CN(C(=O)CC2CCN(CC(F)(F)F)CC2)CC12CCC2 1615554104 JXCFUWJAEIECTB-ZDUSSCGKSA-N 333.398 1.991 0 40 EDAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccccc1Cl 575420110 FVSCTVJOIBIKNU-STQMWFEESA-N 346.836 1.341 0 40 EDAB COc1nc(CNC(=O)c2ccc(C(C)=O)cc2)nc(N(C)C)n1 575604084 QHQNVLLOIABLPS-UHFFFAOYSA-N 329.360 1.079 0 40 EDAB COc1cccc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)c1 47293456 YQTUJNBHFKOVRD-UHFFFAOYSA-N 328.375 1.171 0 40 EDAB O=C(CCn1c(=O)oc2ccccc21)N1CCN(CC2CC2)CC1 55669199 CXFGJORBHRYJBR-UHFFFAOYSA-N 329.400 1.539 0 40 EDAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)N1CCC2(CC1)CNC2 1548567122 SEXLTMWILSKNEI-UHFFFAOYSA-N 328.391 1.766 0 40 EDAB COc1cc(C)c(NCCn2nc3ccccn3c2=O)cc1OC 69651993 KILLHJWLOXQLFE-UHFFFAOYSA-N 328.372 1.934 0 40 EDAB O=C(Nc1cccc2c1OCCO2)N1CCN(C[C@H]2CCCO2)CC1 71856997 KUVOZIFYQZGTGP-CQSZACIVSA-N 347.415 1.786 0 40 EDAB Cc1ccc(S(=O)(=O)NCC[S@](=O)C(C)(C)C)cc1N(C)C 89644193 CMPKDBPYCMTQIY-OAQYLSRUSA-N 346.518 1.887 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCC1(OCCO)CCSCC1 888106982 HICDKVDMKMQVLZ-CQSZACIVSA-N 339.457 1.845 0 40 EDAB CON(C)C(=O)CNc1cc(I)cc(F)n1 1615613252 HADMPQLTZGZEMC-UHFFFAOYSA-N 339.108 1.257 0 40 EDAB COc1ccc(C2(C(=O)N3CCc4nc(C)[nH]c(=O)c4C3)CC2)cc1 105733684 QOXRNMTUZJCBPK-UHFFFAOYSA-N 339.395 1.703 0 40 EDAB CC(C)CNC(=O)COC(=O)CCN1C(=O)COc2ccccc21 5565583 QRJFSSSKBAZZRJ-UHFFFAOYSA-N 334.372 1.118 0 40 EDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1ccccc1Cl 12389385 HZNIMRCFTUAZPO-UHFFFAOYSA-N 331.763 1.951 0 40 EDAB Cc1ccoc1C(=O)OCc1nnc2n(C)c(=O)c3ccccc3n12 12636454 XVZWGRCDJHVMRS-UHFFFAOYSA-N 338.323 1.840 0 40 EDAB Cc1cc(C)cc(NC(=O)CSc2nnc3nc(O)cc(N)n23)c1 13513861 MLRGZKBAJYTTDR-UHFFFAOYSA-N 344.400 1.760 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCC(Oc3cnccn3)CC2)on1 19656786 JVQLCFWQXWHYLQ-LBPRGKRZSA-N 331.376 1.643 0 40 EDAB Cc1ccc(O[C@H]2CCCN(C(=O)c3cc4n(n3)CCCO4)C2)nn1 225465030 QABOEUZXLFSBKK-ZDUSSCGKSA-N 343.387 1.448 0 40 EDAB O=S(=O)(NCCCOC[C@H]1CCCO1)c1cc(F)cc(F)c1 21974859 MNPMUEWUAOCEBV-CYBMUJFWSA-N 335.372 1.829 0 40 EDAB CC(C)c1nc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)nc(O)c1F 1888853166 HBOHYPFJPOGKLN-LLVKDONJSA-N 338.383 1.130 0 40 EDAB Cc1cn2nc(N3CCN(c4ncnc5n[nH]cc45)CC3)ccc2n1 1888922190 CXHVDRRAPVDQTK-UHFFFAOYSA-N 335.375 1.031 0 40 EDAB COc1cccc([C@H](CNC(=O)c2ccc(=O)[nH]c2)N2CCCC2)c1 22619104 HBULMRLLVRJNMK-KRWDZBQOSA-N 341.411 1.950 0 40 EDAB CN(C)C(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1 31508227 BNXPMXSXWJHAOK-UHFFFAOYSA-N 341.209 1.284 0 40 EDAB COCc1nn(CC2CC2)c2c1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CC2 1565545196 BIEBHXHNNMRDGI-HALDLXJZSA-N 331.416 1.217 0 40 EDAB O=C(N1CCO[C@@]2(COCCN(c3cccnc3)C2)C1)C1(F)CCC1 1565545648 MEHKROKAUUZMEQ-QGZVFWFLSA-N 349.406 1.408 0 40 EDAB Cn1nc(CNC(=O)CCF)c2cc(C(=O)NC3CCC3)sc21 1565548153 YCAVGBBFMUSCJE-UHFFFAOYSA-N 338.408 1.893 0 40 EDAB O=C(c1csnn1)N1CCC[C@]2(C[C@H](Nc3cnccn3)CO2)C1 1565551788 RZYZTKBUBJUXRO-NHYWBVRUSA-N 346.416 1.204 0 40 EDAB O=C(NC1CC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 3906616 JXPQJKGYIZOGDL-UHFFFAOYSA-N 349.390 1.825 0 40 EDAB Cc1cc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)nc(C)n1 2086882927 BRNBJAGFHWRQSH-CYBMUJFWSA-N 340.374 1.556 0 40 EDAB O=C(N1CC(Nc2cccnn2)C1)C1(c2ccccc2)CCOCC1 618254223 QUDZVCGDZHWTTR-UHFFFAOYSA-N 338.411 1.848 0 40 EDAB CCOC(=O)CNC(=O)CSc1nncc(-c2ccccc2)n1 20120559 GCQQKHLNWRLSMP-UHFFFAOYSA-N 332.385 1.310 0 40 EDAB O=C(CN1C(=O)[C@H]2C=CC=C[C@@H]2C1=O)OCC(=O)c1ccccc1 100348725 PGBURIUAJYHWIF-KBPBESRZSA-N 325.320 1.140 0 40 EDAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccn2)n2ncnc2N1 190285 XBVPQQJELOODDI-HNNXBMFYSA-N 333.355 1.996 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Nc2ccccn2)c1 45585390 PCRSCRNICFGVMT-UHFFFAOYSA-N 348.428 1.798 0 40 EDAB Cc1nnc(NC(=O)NC[C@H](CC(C)C)N2CCOCC2)s1 40526523 BUDSOFZCERUHNV-LBPRGKRZSA-N 327.454 1.715 0 40 EDAB C[C@H]1C[C@H]1c1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)C2CC2)o1 40513760 GKLHWYYEKKVWRY-BLLLJJGKSA-N 343.427 1.965 0 40 EDAB CN(CCCN(CCO)CCO)C1CC(C)(C)N(O)C(C)(C)C1 1592895 YHARYCPOYAZXML-UHFFFAOYSA-N 331.501 1.006 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)[nH]1 69529214 CUYPWPGFOWEDKO-DTWKUNHWSA-N 340.792 1.604 0 40 EDAB O=C(Nc1cccc(O)c1)C(=O)[C@H]1C(=O)Nc2ccccc2[S@]1=O 4671318 HLDPLTYQWPNUJU-BSEYFRJRSA-N 344.348 1.028 0 40 EDAB Cc1ccc(CN(C)C(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)o1 101270873 OBSUGSXSHKQLBI-GJZGRUSLSA-N 330.384 1.888 0 40 EDAB CCn1nc(C)c(CNc2c(NCc3ccco3)c(=O)c2=O)c1C 101700362 LHVXRGJHQFLFOS-UHFFFAOYSA-N 328.372 1.933 0 40 EDAB CC(C)[C@H](NC(=O)c1cn2cccnc2n1)c1nnc2ccccn12 69532402 NSVZFPJLURHAQC-AWEZNQCLSA-N 335.371 1.899 0 40 EDAB O=C(NC1=NCCS1)c1ccc(=O)n(CCOc2ccccc2)n1 32784261 LOQNDJYQTLWQIH-UHFFFAOYSA-N 344.396 1.155 0 40 EDAB COC(=O)[C@@H](NCC(=O)Nc1cc(C)on1)c1cc(F)ccc1F 69582330 RJUONDXIUCOGMJ-AWEZNQCLSA-N 339.298 1.704 0 40 EDAB CC(=O)COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 102604712 BCBALDGXRAAYKN-YXAMBPQSSA-N 341.363 1.968 0 40 EDAB COc1ccc([C@@H](O)CN2CCN(C(=O)c3ccco3)CC2)cc1F 52798512 BIXOCFUPQLYRIS-HNNXBMFYSA-N 348.374 1.919 0 40 EDAB NS(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc3cn[nH]c23)cc1 69581508 MYEXRHODRTYSFF-RMKNXTFCSA-N 342.380 1.862 0 40 EDAB C[C@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CCO1 54172243 AGXDGNOITSBEIR-GOEBONIOSA-N 346.427 1.842 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)CC1 47091823 LHFWXCUPCIPGKJ-HNNXBMFYSA-N 348.447 1.193 0 40 EDAB Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@H](C2)N3Cc2cccnc2)n1 100737748 WNOAIRTXJHSVBA-IAGOWNOFSA-N 340.427 1.505 0 40 EDAB COC(=O)c1cc(C)nc2c1c(=O)nc(S)n2C[C@@H]1CCCO1 12394818 MYTCUEXFDZXXBD-VIFPVBQESA-N 335.385 1.354 0 40 EDAB C[C@H](NS(=O)(=O)N1CCCCC1)c1ccc(S(C)(=O)=O)cc1 42676496 SZFPWQTXWDAJRQ-LBPRGKRZSA-N 346.474 1.471 0 40 EDAB O=C(NCc1nnc2n1CCC2)N1CCN(Cc2ccsc2)CC1 55078050 UMJGDPDPQVEENP-UHFFFAOYSA-N 346.460 1.313 0 40 EDAB O=C1CN(C(=O)CCCC(=O)Nc2cc(F)c(F)c(F)c2)CCN1 61718023 RQQIQCVEFNBUJA-UHFFFAOYSA-N 343.305 1.171 0 40 EDAB CCc1c(C(=O)N2CCNC(=O)C2)cnn1-c1cccc(Cl)c1 24644372 JHSRQXKOEPGLRL-UHFFFAOYSA-N 332.791 1.660 0 40 EDAB CSCC[C@@H](NC(=O)Cn1cnnn1)c1nc2ccccc2[nH]1 12544461 GBNNSWZPVASYDZ-GFCCVEGCSA-N 331.405 1.160 0 40 EDAB Cc1nc(CN2CCC[C@@H](N[C@@H](C(N)=O)c3ccc(F)cc3)C2)no1 106662142 HVOHVULCOASMKL-GDBMZVCRSA-N 347.394 1.298 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCOc1ccc2c(c1)CCC2 56009859 BVRCZHAVWNHEQK-CXAGYDPISA-N 330.428 1.833 0 40 EDAB CCCCN(C)C(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 1784854 JQOXMJYIEXOWMC-UHFFFAOYSA-N 334.445 1.990 0 40 EDAB COC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 3192656 WBFBFTRGLKFJRL-UHFFFAOYSA-N 341.414 1.265 0 40 EDAB C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)c1nnc(C2CC2)n1C 47945487 CCUSJHGRKRGNFH-LLVKDONJSA-N 348.428 1.518 0 40 EDAB C[C@@H](C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)N1CCOCC1 58078214 HROWAFUMSXVXFN-GJZGRUSLSA-N 342.443 1.990 0 40 EDAB Cc1nc(C)c(CC(=O)NCCCN(C)c2ccccc2F)c(=O)[nH]1 58142745 MZQLOFDGDNKKKP-UHFFFAOYSA-N 346.406 1.711 0 40 EDAB Cn1ccnc1[C@](O)(CC(=O)NCCc1ccccc1)C(F)(F)F 44895998 VMJWWRCWKHEUKW-OAHLLOKOSA-N 341.333 1.919 0 40 EDAB Cc1cccc(CN2CCN(C(=O)N[C@H](C)c3nncn3C)CC2)c1 44970836 ZDJGJFRXXBLPPN-OAHLLOKOSA-N 342.447 1.712 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1OC 44917167 UORGGZCZOKZCKV-GFCCVEGCSA-N 340.445 1.466 0 40 EDAB O=C(Nc1ncccn1)C1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 58341251 SXPCINKGZICZBO-MRXNPFEDSA-N 344.390 2.000 0 40 EDAB NC(=O)c1ccsc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O 12697043 IJVAXKXAFXFBBB-UHFFFAOYSA-N 345.302 1.666 0 40 EDAB CNC(=O)c1cccc(CNS(=O)(=O)N2CCC[C@H](C)C2)c1 28321384 ZMILCLWYVGASBW-LBPRGKRZSA-N 325.434 1.113 0 40 EDAB C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nnc2ccccn12 48374695 YVYUXKVPHKBMDR-NSHDSACASA-N 334.343 1.196 0 40 EDAB COCCNC(=O)COC(=O)c1cc2sc(N(C)C)nc2s1 48325623 HUQUBGNZILUJQE-UHFFFAOYSA-N 343.430 1.343 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)NCCCOc1ccc(F)cc1 63681990 XEVSTDGIPZZGNV-ZDUSSCGKSA-N 343.424 1.501 0 40 EDAB O[C@H](COCc1ccccc1F)CN1CCC[C@H](Cn2cncn2)C1 69653176 UXKKSVOUMANFNR-RDJZCZTQSA-N 348.422 1.707 0 40 EDAB CN1CCC[C@H](NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 70019164 WHKHHWSPJMBPNT-HOTGVXAUSA-N 331.416 1.628 0 40 EDAB CN(C)C[C@H]1CN(CC(=O)NCC2(c3ccccc3)CCC2)CCO1 70040053 YVLYKTZINHFOJU-SFHVURJKSA-N 345.487 1.487 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)NCCc2ccccc2C)C[C@H]1C 70004952 URGHMUGIDJCBKP-MSOLQXFVSA-N 347.503 1.695 0 40 EDAB CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 64467724 GVFYMBCSZCTBPO-UHFFFAOYSA-N 344.389 1.535 0 40 EDAB COc1ccccc1COC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 91820282 CFEURJSIYOFTGR-GOSISDBHSA-N 348.443 1.533 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1c(=O)cnc2ccccc21 69490764 JABAXYUISDIGHT-SJORKVTESA-N 340.427 1.482 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)N1CCC[C@@H](n2cccn2)C1 69420686 OXWQKJCHPGKHOJ-GFCCVEGCSA-N 343.412 1.518 0 40 EDAB Cc1ccc(NCC(=O)N2CCC[C@H](C)C2)cc1-n1nnnc1C 65476540 HAPUTPBJDMFRRG-LBPRGKRZSA-N 328.420 1.950 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1nc(N2CCCC2)ncc1Cl 65463159 KGXJXMMRJVUQRQ-NSHDSACASA-N 346.822 1.672 0 40 EDAB O=C(CN1CCN(CCO)CC1)N[C@@H](c1ccccc1)C1CCCC1 69772026 DCSBBMBMSSPPPY-FQEVSTJZSA-N 345.487 1.644 0 40 EDAB CN(C)C(=O)COc1cccc(C(=O)Nc2ccnc3ccnn23)c1 65515351 NOOHTZIGNNLBRR-UHFFFAOYSA-N 339.355 1.449 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CC[C@@H](C(N)=O)C1 65515487 WMXNXVLNENTBOE-XVJNWHFHSA-N 338.411 1.836 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3)nc2)C1 65562971 JIFQCKYSPUXKBJ-HNNXBMFYSA-N 331.420 1.814 0 40 EDAB CCN(CC)C(=O)[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1 69737430 JTHGHDDHKZRHLD-WBVHZDCISA-N 327.432 1.792 0 40 EDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1coc2ccccc12 91953530 XOYLKMLRZHPVPG-ZDUSSCGKSA-N 336.413 1.168 0 40 EDAB O=C(c1ccoc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 14199773 UDRFGYDQSUYBGJ-UHFFFAOYSA-N 338.360 1.565 0 40 EDAB COCCOCc1cccc(NC(=O)NCCNc2ncccn2)c1 65625003 IKWTVRRNRNYSKF-UHFFFAOYSA-N 345.403 1.873 0 40 EDAB Cc1cc(NC(=O)c2nc(-n3cnnc3)ccc2Br)no1 21721307 GNYQTBLZKLTQJT-UHFFFAOYSA-N 349.148 1.974 0 40 EDAB CS(=O)(=O)c1ccc(CN[C@H]2CCCN(c3cccnn3)C2)cc1 69893789 YTEOZWPSXZTMBK-HNNXBMFYSA-N 346.456 1.639 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnnn2C)c1C 4807731 GDPXGENGWHAZPR-SECBINFHSA-N 337.405 1.695 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 69917565 ZMNBMSBCYIVCKT-ZFWWWQNUSA-N 330.432 1.620 0 40 EDAB O=C(CCN1CCN(C[C@@H](O)c2ccccc2)CC1)NC1CCCC1 69921751 CZKOKGUIRVHMRT-LJQANCHMSA-N 345.487 1.787 0 40 EDAB Cc1ccc(-n2c(SCC(N)=O)nc3cc(C)[nH]c3c2=O)cc1 67239420 UUIBSOXVTLVFMS-UHFFFAOYSA-N 328.397 1.908 0 40 EDAB CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCn3nc(C)nc32)cc1 90226042 WPDPXNIOZDLBDR-XHDPSFHLSA-N 349.460 1.680 0 40 EDAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2ncccn2)CC1 15679258 PXEMIGZUPRDUMJ-UHFFFAOYSA-N 340.412 1.891 0 40 EDAB CCC[C@H]1NC(=O)N(Cc2cccc(S(=O)(=O)N(C)C)c2)C1=O 8707499 DPDOGRFEXCJPAE-CYBMUJFWSA-N 339.417 1.157 0 40 EDAB CC(C)c1nc2n(n1)CCC[C@@H]2Nc1cc(-n2cccn2)nc(N)n1 92920989 JLKJERWAVQKJPH-NSHDSACASA-N 339.407 1.906 0 40 EDAB CN(C)C(=O)CN(C)S(=O)(=O)Cc1c(Cl)cccc1Cl 71186052 CCIAGIJJAZLHGS-UHFFFAOYSA-N 339.244 1.843 0 40 EDAB CC(=O)N(c1nc(CN(C)[C@H](C)C[S@](C)=O)cs1)C1CC1 96012889 SYLYNJBTFJZBOS-LADRHHBVSA-N 329.491 1.857 0 40 EDAB COC(=O)c1n[nH]cc1CN1CCC[C@@]2(C1)C(=O)Nc1ccccc12 72154802 WZTNVFVREKXMKG-SFHVURJKSA-N 340.383 1.682 0 40 EDAB CC[C@H]1CN(C(=O)Cn2cnc3c(C)cccc3c2=O)C[C@H]1N(C)C 89948476 GKCYIMOQXJAKON-GOEBONIOSA-N 342.443 1.504 0 40 EDAB Cc1cnn(CCCNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)c1 96446530 YSZHBZHQHQTWAC-UHFFFAOYSA-N 331.420 1.701 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCC2CCN(Cc3ccccc3)CC2)C1 71826980 PNMBTIRFKWWPNL-QGZVFWFLSA-N 344.459 1.415 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)NC1(C(=O)O)CCCCC1 71802813 NKWUXQUENIZQOG-UHFFFAOYSA-N 332.356 1.316 0 40 EDAB O=C(Cc1csc(-c2nc[nH]n2)n1)N1CCC[C@@H]1Cn1cccn1 71872020 IXPRXOSLMLUBPT-GFCCVEGCSA-N 343.416 1.358 0 40 EDAB CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H]2c2c(C)nn(C)c2C)CC1 71876639 ATWACOBIRPXFNZ-DLBZAZTESA-N 347.507 1.726 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 71869788 XDNIPIXGJHRUHN-ZDUSSCGKSA-N 325.372 1.666 0 40 EDAB CNC(=O)c1ccc(OC)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 71817310 YUAYCWNGWXSWOR-NWDGAFQWSA-N 332.356 1.660 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CC(=O)N1CCOCC1 75604987 PATJWTGIBVRZEK-LBPRGKRZSA-N 326.828 1.378 0 40 EDAB C[C@H](CC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)NC(=O)C1CCCC1 72287522 DRPQXIBXROSPQW-UKRRQHHQSA-N 347.463 1.200 0 40 EDAB CCN(CCNC(=O)N1CCC[C@@H](CO)C1)C(=O)OC(C)(C)C 72274357 KMYLPDQKMGZFEP-CYBMUJFWSA-N 329.441 1.657 0 40 EDAB Cn1cc([C@H]2[C@H](C(=O)O)CCC(=O)N2CCc2cccnc2)cn1 72275732 MYSQGQRWCWWCLM-ZBFHGGJFSA-N 328.372 1.422 0 40 EDAB COC(=O)C[C@H]1CN(Cc2cn(C)nc2-c2ccccc2)CCO1 97033953 YQRMBXUYOJLZLY-INIZCTEOSA-N 329.400 1.851 0 40 EDAB O=C([C@H]1CCCN1C[C@@H](O)c1cccc(Cl)c1)N1CCOCC1 75646269 MBVDOIDHRJZFRZ-HZPDHXFCSA-N 338.835 1.697 0 40 EDAB Cc1nnc(COC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)o1 84291524 MZBTVLIUNKLMJI-AWEZNQCLSA-N 341.367 1.963 0 40 EDAB Cc1nccc(N2CCN(C(=O)Nc3cnn(C(C)C)c3)CC2)n1 97135468 IPFANRTXBKEHNR-UHFFFAOYSA-N 329.408 1.917 0 40 EDAB CC(C)(C)c1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)no1 72300675 GMOJKBUAUMZUOY-QLJPJBMISA-N 335.408 1.177 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1C 76058656 WIYGJUSYLQQTRK-SMDDNHRTSA-N 328.482 1.527 0 40 EDAB Cc1n[nH]c([C@@H]2CN(Cc3nnc(Cc4ccccc4)o3)CCO2)n1 76048181 VQHFKSKQSVMJAH-AWEZNQCLSA-N 340.387 1.660 0 40 EDAB CCc1noc(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)n1 95396114 IEZPHRHPEAVCQR-GUYCJALGSA-N 342.399 1.810 0 40 EDAB CN(C)c1nc2ccc(NC(=O)C(=O)Nc3cnn(C)c3)cc2o1 95461324 SIGDHFLNLLMMJM-UHFFFAOYSA-N 328.332 1.205 0 40 EDAB CN(CCNS(=O)(=O)C1CCOCC1)Cc1ccc(F)cc1 95407487 FBBDTSORFMWERX-UHFFFAOYSA-N 330.425 1.356 0 40 EDAB C[C@@H](CNC(=O)c1cc(S(C)(=O)=O)ccc1F)Cn1cccn1 95439355 GPGMKADEGQMNIC-NSHDSACASA-N 339.392 1.492 0 40 EDAB CCn1c(=O)cc(Cl)n(CC(=O)N[C@@H]2CCCC[C@H]2C)c1=O 95464694 HPPCPGOWSKNWHT-GHMZBOCLSA-N 327.812 1.378 0 40 EDAB Cc1ccccc1[C@H](O)CN1CCO[C@H](CNc2cccnn2)C1 78893893 BWPYDTSMJFDTPL-NVXWUHKLSA-N 328.416 1.631 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCN2C1=O)Nc1ccnn1C1CCCC1 85260339 XVNRSEVOSXFEEN-GFCCVEGCSA-N 331.376 1.363 0 40 EDAB Cc1noc(COCC(=O)Nc2ncccc2Br)n1 78997874 XGFLIFRJAAQJBA-UHFFFAOYSA-N 327.138 1.691 0 40 EDAB Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C(=O)Nc2cc(C)n(C)n2)nn1C 95979356 WYBDQXSEACZSMH-STQMWFEESA-N 344.419 1.764 0 40 EDAB Cc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)cc1Br 95946480 ZKVOEDPBGTXLCZ-JOYOIKCWSA-N 344.230 1.907 0 40 EDAB CS(=O)(=O)N1CCC[C@H](Cn2c(-c3cccs3)noc2=O)C1 95963568 YUEWKKWGGGUAMI-JTQLQIEISA-N 343.430 1.236 0 40 EDAB CC(C)[C@@](C)(O)CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 89238435 QIINURSWQMHHRB-LPHOPBHVSA-N 347.459 1.884 0 40 EDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCC(C)C)cc1 408596152 RJUJUUHVPADUSS-GFCCVEGCSA-N 328.434 1.524 0 40 EDAB CN1CCN(C2CCN(Cc3nc4ccccc4n3C)CC2)C1=O 75131586 SADZXRKDXBNHIZ-UHFFFAOYSA-N 327.432 1.905 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2nc(C(=O)NCC3CC3)sc2C1 306143739 YLCPRKFKCOEWAV-ADEWGFFLSA-N 333.457 1.912 0 40 EDAB OC1CCN([C@@H]2CCN(c3nc(-c4ccccc4)no3)C[C@H]2O)CC1 71715336 KAOQJPJKDGSPAZ-HZPDHXFCSA-N 344.415 1.133 0 40 EDAB COc1ccccc1[C@@H]1NC(=O)N[C@](O)(C(F)(F)F)[C@H]1C(C)=O 35025972 XWZFVHJXXQUTLY-GMXVVIOVSA-N 332.278 1.505 0 40 EDAB COCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3ncccn3)n2)C1 72360027 ZUCWHRGOEOSGAA-CYBMUJFWSA-N 342.403 1.671 0 40 EDAB C[C@H]1CCCC[C@@H]1OCC(=O)N1CCCN(CC(=O)N(C)C)CC1 79043630 NIILCEIWNLSXBP-HOTGVXAUSA-N 339.480 1.204 0 40 EDAB CN1CC[C@H](NC(=O)c2cc(Br)cc(Cl)c2O)C1=O 73147126 PXMGMHWNVLWHGQ-VIFPVBQESA-N 347.596 1.769 0 40 EDAB Cc1nc([C@@H]2CCN2C(=O)c2ccn(C)n2)cc(N2CCCC2)n1 72387557 PCCSXHJBMFODTM-HNNXBMFYSA-N 326.404 1.706 0 40 EDAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21)N1CCCC1 71283469 IWMRBPKIDZTCQJ-UHFFFAOYSA-N 349.390 1.775 0 40 EDAB C[C@H](NC(N)=O)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C 79002013 QEYZHKOOFPGXNE-GWCFXTLKSA-N 325.384 1.792 0 40 EDAB COCc1ccc(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)O)cc1 562966656 SOAJQSBHAQUKOT-CYBMUJFWSA-N 343.401 1.086 0 40 EDAB CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 223400966 WQDZZTMOBDMPPK-UHFFFAOYSA-N 340.430 1.787 0 40 EDAB Cc1cnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)s1 225480602 LQHMAFXMEWOCEV-UHFFFAOYSA-N 346.460 1.405 0 40 EDAB O=S(=O)(CC[C@H]1CCCO1)N1CCC[C@@H](N2CCCCC2)C1 195539702 QFFVKNURLIXLAD-HZPDHXFCSA-N 330.494 1.836 0 40 EDAB CCOCCCNC(=O)Cn1cc(COc2ccccc2OC)nn1 227160801 FZWFLKSJVAEQSM-UHFFFAOYSA-N 348.403 1.409 0 40 EDAB CCc1ccc(S(=O)(=O)NCCc2nnc3ccccn23)s1 81063805 LGTMXPPHIDANMK-UHFFFAOYSA-N 336.442 1.874 0 40 EDAB CC1CCN(C[C@@H]2OC[C@H](NC3Cc4ccccc4C3)[C@H]2O)CC1 514288898 LGDTZNAAAMCHRC-SLFFLAALSA-N 330.472 1.604 0 40 EDAB biogenic,in-vitro Cn1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 96418378 SJLJAYKTMOYVEF-UHFFFAOYSA-N 327.262 1.355 0 40 EDAB Cc1noc(C)c1CN1CCC[C@]2(CCCN2S(C)(=O)=O)C1 96215104 NINRVTDRRSVRRU-HNNXBMFYSA-N 327.450 1.681 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCCc2cscn2)[C@@H]1c1cccnc1 96419977 ZCFRZNOISVZJSH-ZFWWWQNUSA-N 330.413 1.416 0 40 EDAB Cc1noc(CCCNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1 96420753 UPSTZYKBUWOPAD-INIZCTEOSA-N 344.415 1.328 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 96408567 UWGCSTQUPMLCHM-NSHDSACASA-N 336.335 1.469 0 40 EDAB C[C@H](CNC(=O)NC[C@H](O)c1cnn(C)c1)N1CCc2ccccc21 96437763 WSIWWLTXBNODQJ-DYVFJYSZSA-N 343.431 1.204 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)C[C@H](OCC1CCOCC1)CO2 96106706 AFMNCBFYCIRCGQ-AWEZNQCLSA-N 333.450 1.013 0 40 EDAB c1cnc(N[C@@H]2CO[C@]3(CCCN(CC4CCOCC4)C3)C2)nc1 96048405 KKTUIYXYBNMSEK-FUHWJXTLSA-N 332.448 1.939 0 40 EDAB COCCN1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96261853 RJVMLBQCNGMLNE-KRWDZBQOSA-N 336.457 1.648 0 40 EDAB Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(C(=O)N(C)C)CCO2 96226726 NRBFCQFUAOANIX-QGZVFWFLSA-N 336.436 1.640 0 40 EDAB CC(C)N(C)C[C@@H]1CN(C(=O)c2ccnnc2)Cc2nccn2C1 96066931 AIDDXMLYODNMCR-AWEZNQCLSA-N 328.420 1.286 0 40 EDAB Cn1ccc(C(=O)N2CCOC[C@@H]2c2nccc(NC3CCC3)n2)n1 96216768 RKCFOGWLBINZMF-CQSZACIVSA-N 342.403 1.388 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C(N)=O)c(Cl)cc1F 96472728 OJZBBDSBFDLTEB-KWQFWETISA-N 334.800 1.720 0 40 EDAB Cn1cc(CN2C[C@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)cn1 96038948 AQCFPSYJQCFYDH-DJIMGWMZSA-N 344.415 1.309 0 40 EDAB Cn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccoc2)CC3)cn1 96197448 WOFJJVPPNSMURP-UHFFFAOYSA-N 340.387 1.155 0 40 EDAB COCCN1C[C@@H]2[C@@H](OC)CCN(Cc3nc(C)cs3)[C@@H]2C1 96215110 QXVJHFRJSBTFGW-ZNMIVQPWSA-N 325.478 1.619 0 40 EDAB CC(=O)N1CCN(c2nnc(-c3c(C)nc4ccccn34)n2C)CC1 583144061 NKRXQPIDROTJRR-UHFFFAOYSA-N 339.403 1.107 0 40 EDAB Cn1cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)cn1 96056570 XUZPXLLXGOCMDU-IAGOWNOFSA-N 325.416 1.581 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1 96064939 ZALZUNOZYHNNBL-KZNAEPCWSA-N 341.411 1.970 0 40 EDAB Cc1nc(CO[C@H]2CN(S(C)(=O)=O)Cc3ccnn3C2)cs1 248001703 CJBOEHGODBCSSM-ZDUSSCGKSA-N 342.446 1.009 0 40 EDAB CN1C[C@H](NC(=O)c2ccc3nnn(C)c3c2)CC[C@@H]1C(F)(F)F 583618075 ABDKWWIRHAPBPU-ZWNOBZJWSA-N 341.337 1.723 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2cccc3[nH]ccc23)CCN(C(C)=O)C1 257232986 GNFKSLGJZWVTMI-OAHLLOKOSA-N 328.416 1.194 0 40 EDAB CON(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 584908710 AKWDHGYZSGRMPH-MRXNPFEDSA-N 347.459 1.765 0 40 EDAB Cc1cc([C@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)ccn1 257216249 CTRYWXYIUQSAAT-GOSISDBHSA-N 340.427 1.817 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257306807 SVZYDMBSOUBBMK-OAHLLOKOSA-N 329.404 1.700 0 40 EDAB C[C@@](CO)(NC(=O)[C@@H]1COCCO1)c1cccc(C(F)(F)F)c1 585112881 GWGQKFSGADCFNT-JSGCOSHPSA-N 333.306 1.445 0 40 EDAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)c1cc[nH]n1 257307021 SWXMAMMVZQCWPZ-UWIFEVILSA-N 334.464 1.886 0 40 EDAB Cc1nc2ccccc2n1CC(=O)N1CCOC[C@@H]1c1ccn[nH]1 257302521 SDEZNYOQUILGPX-MRXNPFEDSA-N 325.372 1.668 0 40 EDAB Cc1ccc(C[C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)cn1 257202125 AKOVSYHGQRBRBY-INIZCTEOSA-N 339.461 1.222 0 40 EDAB Cc1cc(OCC(=O)N(C)[C@@H]2CC[C@@H](O)[C@@H]2O)cc(C)c1Cl 257250795 JOAJTNRTUXJHBA-XJKCOSOUSA-N 327.808 1.678 0 40 EDAB COc1cccc(CN2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)c1 257269193 MOYPPCMQBGBTCD-CYBMUJFWSA-N 335.429 1.811 0 40 EDAB O=C1c2ccccc2CCN1CCNC(=O)N1CCN2CCC1CC2 252496317 PGPIECYODNMGFO-UHFFFAOYSA-N 342.443 1.175 0 40 EDAB FC(F)(F)Oc1ccc(Cn2nnnc2N2CCOCC2)cc1 1616036055 GIGJXBUKBVURCK-UHFFFAOYSA-N 329.282 1.457 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@H](O)c2cncs2)cnc1Cl 1616039271 ZHHQVUHTZVREKM-VIFPVBQESA-N 333.822 1.512 0 40 EDAB C[C@@H]1CN(C(=O)N[C@H](C2CCOCC2)C2CC2)CC[S@@](=O)C1 593452646 YKQMCKWBXJXEJJ-XTCJLCLGSA-N 328.478 1.602 0 40 EDAB O=C(c1ccnnc1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575403972 JVWLDIOBUFKMDX-MRXNPFEDSA-N 335.367 1.777 0 40 EDAB Cc1ccccc1OC[C@@]1(O)COCCN(CC2CCOCC2)C1 585275283 BXHGHZAFMLGWJT-IBGZPJMESA-N 335.444 1.864 0 40 EDAB O=C(c1ccccc1)N1CCC2(CC1)CO[C@@H](CN1CC[C@@H](O)C1)C2 585103124 DJOFRACYYHXCQL-QZTJIDSGSA-N 344.455 1.765 0 40 EDAB NC(=O)C[C@@H]1CN(C(=O)c2ccnnc2)CC[C@H]1Oc1ccccc1 585275676 DCLVBFGFMHZIBK-GDBMZVCRSA-N 340.383 1.262 0 40 EDAB Cc1nc(CNC(=O)N2CCN(Cc3cccnc3)CC2)cs1 45325723 JCFPYIDRMMOLGU-UHFFFAOYSA-N 331.445 1.874 0 40 EDAB CN(C)[C@@H](CNC(=O)NCCNc1cnccn1)c1cccc(F)c1 49798338 DVMLKPFNBFECDL-HNNXBMFYSA-N 346.410 1.630 0 40 EDAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCC(N2CCNC2=O)CC1 53282965 FQWSFXZYCYYGGD-KRWDZBQOSA-N 342.443 1.496 0 40 EDAB COC(=O)CN(CC(=O)OC)C(=O)[C@@H](C)Sc1ccccc1 68302841 XKDSUHXZQBCQTO-LLVKDONJSA-N 325.386 1.342 0 40 EDAB COC(=O)c1cn([C@H]2CCCC[C@H]2OC(=O)c2cnn(C)c2)nn1 58265300 FLHVKGHIHXHILI-QWHCGFSZSA-N 333.348 1.139 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c(=O)[nH]1 91764543 BFVVQQVIPFYHCE-NHYWBVRUSA-N 334.322 1.910 0 40 EDAB COC1(c2nccn2C)CN(S(=O)(=O)c2ccccc2F)C1 1615614821 RNQPEKPBFBUEEZ-UHFFFAOYSA-N 325.365 1.105 0 40 EDAB CNC(=O)[C@@H]1CN(C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CCO1 1615605375 LCIGTHMKDBNELG-KBPBESRZSA-N 341.452 1.223 0 40 EDAB O=S(=O)(c1cccc2ccccc12)N1CC(Cn2cncn2)C1 952965227 VDNAASVGOGIZJZ-UHFFFAOYSA-N 328.397 1.752 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccncc1)C1CCCCC1 574928 QKIRRMXIWOAIFT-UHFFFAOYSA-N 325.434 1.292 0 40 EDAB Cc1cc(C(=O)COC(=O)CNC(=O)c2ccccc2)c(C)n1C 5715941 QNQFBCMWMXRSRT-UHFFFAOYSA-N 328.368 1.798 0 40 EDAB CCCCN(CC)C(=O)C(=O)[C@@H]1C(=O)Nc2ccccc2[S@@]1=O 5783483 KEQJNJMTNXUPGE-QKFKETGDSA-N 336.413 1.333 0 40 EDAB C[C@H](OCCCNC(=O)CCN1C(=O)CCC1=O)c1ccccc1 12866142 XFIOAXMFZKKSGU-AWEZNQCLSA-N 332.400 1.810 0 40 EDAB O=C(c1ccccn1)N1CCc2nc3ccsc3c(=O)n2CC1 13267782 VEEGIZRPYYEHOH-UHFFFAOYSA-N 326.381 1.552 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NC(C)(C)C 13580919 AZJPXGOGNGYZGO-UHFFFAOYSA-N 332.397 1.370 0 40 EDAB Cn1c(=O)c2[nH]c(COc3ccc(C(C)(C)C)cc3)nc2n(C)c1=O 13597432 FXCSOKVUMFCIKV-UHFFFAOYSA-N 342.399 1.837 0 40 EDAB O=C(c1cccnc1)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19337329 VFNIVNPKOQUXDV-HNNXBMFYSA-N 347.378 1.857 0 40 EDAB COC(C)(C)C(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3)c2)CC1 19697979 NUIZTPUZXIGOGY-MRXNPFEDSA-N 346.475 1.888 0 40 EDAB COc1cc(C(=O)SC2=NC(=O)C[C@@H](C)N2)cc(OC)c1OC 5676721 BRJHFXBEGOGGPE-MRVPVSSYSA-N 338.385 1.850 0 40 EDAB CC(C)C(=O)Nc1ccc(SCC(=O)NC[C@H]2CCCO2)nn1 13702135 WBIKOSHKOIUWEZ-LLVKDONJSA-N 338.433 1.458 0 40 EDAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2cn(C)cn2)C3)nc1 1888864235 XJKAVFBRCDTQBL-KDOFPFPSSA-N 341.415 1.840 0 40 EDAB CCc1cc(N2CCN(c3ncnc4c3ncn4C)CC2)nc(C)n1 1888866408 XNSUAFNEONGORB-UHFFFAOYSA-N 338.419 1.351 0 40 EDAB O=C([C@H]1CCCN(c2ncnc3c2CCC3)C1)N1CCSCC1 1889096041 MOSRUHHVQHIFRV-ZDUSSCGKSA-N 332.473 1.757 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)C 33026226 SFXSHGRHRPBGMV-QMMMGPOBSA-N 335.223 1.204 0 40 EDAB CCCS(=O)(=O)NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 9038135 FXJYIGFWIRUCDU-ZDUSSCGKSA-N 328.409 1.504 0 40 EDAB Cc1cc(-c2nnc(NC(=O)Cc3ccc4c(c3)OCO4)o2)nn1C 13592030 YIKMVAHYGXSHBN-UHFFFAOYSA-N 341.327 1.688 0 40 EDAB CCn1/c(=N\C(=O)c2ccnn2C)sc2cc3c(cc21)OCO3 13656234 BXWFCSMVCCBZLT-BMRADRMJSA-N 330.369 1.926 0 40 EDAB CC(=O)c1sc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)nc1C 13790073 AVKASXZNDYBRQE-JTQLQIEISA-N 345.446 1.264 0 40 EDAB COc1cccc(S(=O)(=O)N2CC[C@@H](Oc3ncccn3)C2)c1 575611408 XABPUDYFKUGURY-CYBMUJFWSA-N 335.385 1.327 0 40 EDAB O=C(COc1ccc(Cl)cc1)N1CC(CN2C(=O)COC2=O)C1 575616334 LIJXBSMZDFSDPX-UHFFFAOYSA-N 338.747 1.156 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)CCc2ccccc2F)CC1 40025561 QWODRJKIFHJGCA-UHFFFAOYSA-N 328.409 1.299 0 40 EDAB CCc1nnc(NC(=O)CC(=O)Nc2ccccc2C(=O)O)s1 41417 XWHUMIPMWGXHRY-UHFFFAOYSA-N 334.357 1.766 0 40 EDAB CC[C@](C)(CNS(=O)(=O)c1c(C)noc1C)N1CCOCC1 30425682 ZASRGLXPKQKHQO-CQSZACIVSA-N 331.438 1.071 0 40 EDAB O=C1CCCCCN1CCCNS(=O)(=O)c1ccccc1F 40485758 SSOVNJSLGMIHSF-UHFFFAOYSA-N 328.409 1.897 0 40 EDAB O=C(CN(Cc1cccc(F)c1)C[C@@H]1CCCO1)N1CCNC1=O 50963863 RPXHPSWGWRLRTK-HNNXBMFYSA-N 335.379 1.359 0 40 EDAB C[C@H]1Oc2ccc(NC(=O)CNC(=O)c3ccccc3)cc2NC1=O 8014152 VHHTVLIILKJIHN-LLVKDONJSA-N 339.351 1.775 0 40 EDAB CCCn1nc(C(=O)Nc2cccc(-c3nncn3C)c2)ccc1=O 40505566 PQGOYKABUBYOIE-UHFFFAOYSA-N 338.371 1.701 0 40 EDAB O=C(NCCCN1CCOCC1)c1cccc(N2CCOC2=O)c1 40553311 HAEJRYXMADZTCI-UHFFFAOYSA-N 333.388 1.095 0 40 EDAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCN1CCOCC1 20567977 KKJPWRHESPISNW-OAHLLOKOSA-N 326.824 1.946 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 224593 VBRQZNJGLIYWQL-UHFFFAOYSA-N 332.809 1.201 0 40 EDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cccs1 46202089 KQYMZFROUYCCNP-LBPRGKRZSA-N 349.456 1.385 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)cc1=O 46353197 LSNSMEPUNUECKQ-AWEZNQCLSA-N 341.415 1.681 0 40 EDAB CC(C)N1C[C@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1=O 46355433 RVKAPPRWXGDWSM-ZBFHGGJFSA-N 334.391 1.983 0 40 EDAB COc1ccccc1NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 32643427 IBCJXJCJOSZLFF-LBPRGKRZSA-N 338.367 1.972 0 40 EDAB COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](C)C2)c(OC)c1 32757931 VMZXTRNYAMFPPH-HIFRSBDPSA-N 337.416 1.953 0 40 EDAB O=C(OCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCS(=O)(=O)C1 32777420 WPBVVCCMXQCBDV-SNVBAGLBSA-N 340.332 1.354 0 40 EDAB C[C@H](NCC(=O)/N=c1\cc[nH]n1[C@@H](C)C1CC1)[C@@H](C)n1cccn1 102369799 OTQRCYOWHPZTEM-LZZMETMASA-N 330.436 1.650 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cncn1-c1ccc(F)cc1 21509659 ZCKPZPZBOHOXQT-SNVBAGLBSA-N 348.334 1.402 0 40 EDAB Cc1cc(NC(=O)[C@H](C)OC(=O)CSc2cccc[n+]2[O-])no1 21604105 KLBKKAHOLJXYDR-JTQLQIEISA-N 337.357 1.279 0 40 EDAB O=C(c1cnn(Cc2ccccc2)c1)N1CCN(C(=O)C2CC2)CC1 46562384 LEQBEYRLPOIIPA-UHFFFAOYSA-N 338.411 1.626 0 40 EDAB CN(C)C(=O)Cc1nc(CSc2ncnc3c2cnn3C)cs1 32922681 DXBIDCVIQKZJNK-UHFFFAOYSA-N 348.457 1.743 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CCNC(=O)c1ccco1 32966840 LYWVZGLCUKOFGG-CYBMUJFWSA-N 344.367 1.698 0 40 EDAB CCN(C(=O)[C@@H](C)Nc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 52771956 ZRLGLYYCZRQNFL-OCCSQVGLSA-N 340.445 1.531 0 40 EDAB C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCNC(=O)C1 33224998 VRZHLFBLCOKIRB-QMMMGPOBSA-N 345.168 1.314 0 40 EDAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 22018948 MOBFANAKQAZPCP-UHFFFAOYSA-N 338.367 1.544 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)N1CCO[C@H]2CCC[C@H]21 53373939 PQCCUVNMTHHVOO-OLZOCXBDSA-N 333.413 1.628 0 40 EDAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)NC3CC3)CC2)cc1 22933339 SUDKLIWQNMFWJR-OAHLLOKOSA-N 344.459 1.218 0 40 EDAB Cn1ncc2c(NCc3ccccc3CN3CCOCC3)ncnc21 12486358 LZVUSXAOZICPAI-UHFFFAOYSA-N 338.415 1.808 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)C1CCN(C(=O)c2ccoc2)CC1 42533451 GZORLZLBHKEFKL-ZDUSSCGKSA-N 330.388 1.533 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC(c2nnc3ccccn23)CC1 23402951 JAFIAZZEXRSKIQ-UHFFFAOYSA-N 337.449 1.495 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1ccc(C(=O)O)cc1 61720480 ZYISAAYHFQRQQU-UHFFFAOYSA-N 344.371 1.033 0 40 EDAB CCN(CC)C(=O)CN(C)C(=O)C[C@H]1Sc2ccccc2NC1=O 23799584 DWACLOAKVDQMRS-CQSZACIVSA-N 349.456 1.816 0 40 EDAB O=C(NCCCCn1cnnc1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 110661615 SQGLQBOGQYMUHI-ULQDDVLXSA-N 346.479 1.574 0 40 EDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1CCO[C@H](C)C1 24014655 YOZKJBISKKTYFG-OAHLLOKOSA-N 333.432 1.421 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24536483 IODHCSVDXWXIPE-GFCCVEGCSA-N 339.351 1.480 0 40 EDAB Cc1cnc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)s1 172719491 ZXRYXNGHTSHBDB-UHFFFAOYSA-N 336.417 1.322 0 40 EDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1 3169597 XBJLLCWTRYLANA-CQSZACIVSA-N 340.445 1.626 0 40 EDAB Cc1cc2n(n1)C[C@H](CNC[C@H](O)CO[C@H](C)c1ccccc1)CN2 106188040 YVMHKCCLAPZDNQ-NUJGCVRESA-N 344.459 1.962 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)Nc2nnc(Cc3ccccc3)s2)C1 47717535 QLTIOOKLIMBVOD-LLVKDONJSA-N 331.401 1.468 0 40 EDAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cnc(C)cn2)cc1 3232408 PSLDIDSYNKZPRZ-UHFFFAOYSA-N 343.339 1.757 0 40 EDAB C[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)NC(N)=O 56174531 GDTUGCIZGKEESO-NSHDSACASA-N 326.356 1.934 0 40 EDAB Cn1nccc1CN1[C@@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 100119095 MHIFMDSKMLWWQZ-UKRRQHHQSA-N 335.411 1.719 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)NCC(C)C)CC2)c(OC)c1 56781404 GYYLREWBRNRDKQ-UHFFFAOYSA-N 349.431 1.827 0 40 EDAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2nncs2)C1 57894381 HZVPYNPTNZVHCH-LBPRGKRZSA-N 345.384 1.675 0 40 EDAB Cc1csc(CNC(=O)CN2C(=O)CCOc3ccccc32)n1 44894630 QXYHETGGKHDKEJ-UHFFFAOYSA-N 331.397 1.883 0 40 EDAB C[C@@H](CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)C1CC1 58281928 ITMNDIHOMHPISL-HNNXBMFYSA-N 329.444 1.888 0 40 EDAB CCc1ccc(OC[C@@H](O)Cn2nnc(-c3cccnc3)n2)cc1 58217867 HJJDLTOBVUQGMF-HNNXBMFYSA-N 325.372 1.737 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)c1cc(Cl)c2c(c1)OCCO2 44940398 GWVKJPZSMCVABG-LLVKDONJSA-N 340.807 1.562 0 40 EDAB CC(=O)N1CCN(CCNC(=O)c2csc3c2CC[C@H](C)C3)CC1 44940067 JPWXDPUTSATYIK-ZDUSSCGKSA-N 349.500 1.767 0 40 EDAB O=S(=O)(NC[C@H]1CCN(C2CC2)C1)c1ccc2c(c1)OCCO2 44917158 BSYRKTZTLFKEJS-GFCCVEGCSA-N 338.429 1.220 0 40 EDAB Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)OCCO4)nc2n1 3341886 DXQJNPSAHBFRLQ-UHFFFAOYSA-N 325.328 1.765 0 40 EDAB Cc1cc(C)n2nc(SCCCC(=O)N3CCOCC3)nc2n1 3371140 WQBQEHDNHHKFAY-UHFFFAOYSA-N 335.433 1.472 0 40 EDAB NS(=O)(=O)N1CCc2ccc(NC(=O)c3ccccc3F)cc21 58551273 WDBFTCDGISSNFN-UHFFFAOYSA-N 335.360 1.644 0 40 EDAB Cn1ncc2c(N3CCC[C@H](c4nnc5ccccn45)C3)ncnc21 12789690 OSVNGZHGCSJEGX-LBPRGKRZSA-N 334.387 1.790 0 40 EDAB CN(CC(=O)NCC(F)(F)F)C(=O)Cc1noc2ccccc12 48320902 CDTVACIJZDRMFD-UHFFFAOYSA-N 329.278 1.507 0 40 EDAB Cn1ccc(C(=O)N2Cc3ccnn3[C@@H](CN3CCCCC3)C2)n1 306125683 CXUSSGZUPUBCCY-HNNXBMFYSA-N 328.420 1.300 0 40 EDAB CCOC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O 3464573 XEVPABXQPFRQRU-HNNXBMFYSA-N 342.298 1.618 0 40 EDAB COc1cc2[nH]c(O)c(C(=O)NC[C@H]3CCCO3)c(=O)c2cc1OC 17043871 OPJPQQMYUHXZSS-SECBINFHSA-N 348.355 1.160 0 40 EDAB biogenic CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 64467661 VQRJTSPRPJICGT-UHFFFAOYSA-N 344.389 1.535 0 40 EDAB COc1ccc([C@H]2C[C@H]2NC(=O)NCC(C)(C)N2CCOCC2)cc1 69442767 IZGDRIMODAEDOE-IAGOWNOFSA-N 347.459 1.961 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3ccc(F)cc3)C2=O)C1 5068812 KKPLHCVXCHAZJZ-OAHLLOKOSA-N 348.290 1.134 0 40 EDAB CCc1nnc(NS(=O)(=O)c2ccc3c(c2)OCCO3)s1 27756996 WGQBFIGBPUTMPP-UHFFFAOYSA-N 327.387 1.673 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)c1ccc(F)cc1 69516711 RUTJVEULWCAKAD-DOMZBBRYSA-N 330.363 1.291 0 40 EDAB Cc1csc(CNC(=O)N[C@H]2CCCc3c2cnn3CCO)n1 65449352 DHUSYJDKUQYTAD-LBPRGKRZSA-N 335.433 1.517 0 40 EDAB COC[C@H](C)NC(=O)NCCCc1cc(N)n(-c2ccccc2)n1 65440815 FNNICTQODPDCSH-ZDUSSCGKSA-N 331.420 1.721 0 40 EDAB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccc(C(N)=O)cc1 6543579 MZDMUGXITXXGLU-INIZCTEOSA-N 326.400 1.900 0 40 EDAB Cn1cc(CN2CCCN(C(=O)COC3CCCCC3)CC2)cn1 69773869 WGKATEHDPQTEFC-UHFFFAOYSA-N 334.464 1.804 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H](C)c3c(C)nn(C)c3C)CC2)on1 69740537 HMDKRCJMMZTKTF-CYBMUJFWSA-N 345.447 1.781 0 40 EDAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCCCO)c(C)c2oc1=O 6658999 CBRFIIBQONMLER-ZDUSSCGKSA-N 333.384 1.984 0 40 EDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)COCCOc1ccccc1 69770149 VKYALZKRFKWRJV-AWEZNQCLSA-N 343.445 1.364 0 40 EDAB Cc1cnn(CCC(=O)NS(=O)(=O)N2CCc3ccccc32)c1 69744910 CPAXSRWNWNQYJR-UHFFFAOYSA-N 334.401 1.005 0 40 EDAB CC1(C)NC(=O)N(CCSCc2nc(N)c3ccccc3n2)C1=O 69744463 JVHWKTQTLIATGJ-UHFFFAOYSA-N 345.428 1.776 0 40 EDAB COC(=O)CN(C)C(=O)CCN(C)Cc1nc2ccccc2s1 69774881 BSOCTPDCAFKZKZ-UHFFFAOYSA-N 335.429 1.750 0 40 EDAB O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1cc[n+]([O-])cc1 6989980 CSTZLGXRUIEANO-MRXNPFEDSA-N 326.352 1.841 0 40 EDAB O=C(CNC(=O)c1ccc2c(c1)CCC2)NCc1cn2ccccc2n1 67106045 DPWYLTBXUTYMRD-UHFFFAOYSA-N 348.406 1.869 0 40 EDAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(C[C@@H](C)O)CC1 69870035 VXCVFUZNXKYHJQ-GFCCVEGCSA-N 331.391 1.821 0 40 EDAB O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cccc[n+]1[O-] 67361319 HTVUTPMODWDURH-QGZVFWFLSA-N 325.412 1.962 0 40 EDAB CCCCn1nnnc1CN1CCN(c2nc(C)cs2)[C@H](C)C1 69950548 HRIVAMRTFZXYOX-CYBMUJFWSA-N 335.481 1.949 0 40 EDAB CCOC(=O)N1CCC(NC(=O)CN(C)Cc2ccccc2)CC1 7340115 GYNAUBQELVVMBG-UHFFFAOYSA-N 333.432 1.856 0 40 EDAB CCCN1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 68240198 ZOAKPPRCXQUCLM-UHFFFAOYSA-N 328.416 1.410 0 40 EDAB O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@@H](n2cncn2)C1 68429982 OVWBHEBQEQXETE-CYBMUJFWSA-N 327.388 1.323 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NC[C@@H]3CCCCO3)CC2=O)cc1 71924307 LSSMUEATTQJCSS-RDJZCZTQSA-N 346.427 1.729 0 40 EDAB CC(C)N1CCC[C@@H](N2CCN(C(=O)c3ccncc3)CC2)C1=O 93241535 JPBZJROYPCGFLM-MRXNPFEDSA-N 330.432 1.239 0 40 EDAB CCc1noc(CC)c1CNC(=O)N[C@@H](C)C(=O)N1CCCCC1 87069924 SCPOCDQQEAONOO-LBPRGKRZSA-N 336.436 2.000 0 40 EDAB CCN1C(=O)C[C@@H](N2CCC(NC(=O)c3ccc(F)cc3)CC2)C1=O 96299802 VIHWPBKKAXEKKA-OAHLLOKOSA-N 347.390 1.167 0 40 EDAB O=C1CCN(C(=O)C2(c3ccc4c(c3)OCO4)CCCCC2)CCN1 71839441 LDNGFPVVYGHBAZ-UHFFFAOYSA-N 344.411 1.966 0 40 EDAB Cc1nc(COc2ccc(NC(=O)CN3CSCC3=O)cc2)no1 71888195 KZMMLYBHIASVJG-UHFFFAOYSA-N 348.384 1.428 0 40 EDAB Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 71875035 IHOXSUAGIRKKQN-NWDGAFQWSA-N 346.460 1.935 0 40 EDAB CC(C)c1cc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n[nH]1 71841532 XVLPKBMHKFEZSL-GFCCVEGCSA-N 332.379 1.746 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1C[C@H]2CC[C@H]1C2 110543350 QCMJUUAKWLBGEL-BLFANLJRSA-N 335.429 1.959 0 40 EDAB Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)[C@@H]2COCCO2)cc1 71894254 UUUGLVHFOYXKHF-KRWDZBQOSA-N 346.427 1.756 0 40 EDAB C[C@@H]1CN(C)CCN1CC(=O)NCc1ccccc1OC(F)(F)F 89939096 YVJDDEKENNNSNK-GFCCVEGCSA-N 345.365 1.837 0 40 EDAB Cn1cc([C@H]2[C@@H](C(=O)O)CCC(=O)N2CCc2cccnc2)cn1 72275734 MYSQGQRWCWWCLM-HOCLYGCPSA-N 328.372 1.422 0 40 EDAB COc1cccc(CCC(=O)N[C@H]2CCc3nccn3C2)c1OC 72278596 RUELOIYTSJIRQK-AWEZNQCLSA-N 329.400 1.964 0 40 EDAB CO[C@]1(C)C[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)C1(C)C 97049445 VRXLAEBSKRGZJU-MAUKXSAKSA-N 340.512 1.469 0 40 EDAB COCCCCS(=O)(=O)N1CCN(c2ccccc2C)CC1 97163691 KXKWPVMLNKETCF-UHFFFAOYSA-N 326.462 1.873 0 40 EDAB O=S(=O)(NCCn1cnnc1C1CC1)c1c(F)cccc1Cl 97380108 ZVMNTXYMZJFYRN-UHFFFAOYSA-N 344.799 1.927 0 40 EDAB C[C@@H](C(=O)Nc1nccs1)N1CCC(N2CCN(C)C2=O)CC1 75604112 XYLHNPJUXJOOCP-NSHDSACASA-N 337.449 1.302 0 40 EDAB C[C@H](C(=O)NCc1cccc(COC2CCOCC2)c1)n1cncn1 95394824 QUMFLAONKATBDO-CQSZACIVSA-N 344.415 1.851 0 40 EDAB CCOc1nnc(CN2CC[C@@H](N(C)Cc3noc(C)n3)C2)s1 76047313 YHEROWSXYIJSBB-LLVKDONJSA-N 338.437 1.335 0 40 EDAB Cc1ocnc1C(=O)N[C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 95441753 ZZKKPVWAJOGGSM-SECBINFHSA-N 331.336 1.668 0 40 EDAB COCCOCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 76023245 XJEITQYTSIYDFV-OLZOCXBDSA-N 330.425 1.459 0 40 EDAB CCn1nc(C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)ccc1=O 95956675 PTIWCHAQZKVSDI-NSHDSACASA-N 344.371 1.489 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)C[C@@H](O)COc1ccccc1 95954933 MMRSJXHKVXLKFB-ZDUSSCGKSA-N 325.386 1.646 0 40 EDAB CN1CCO[C@H](C(=O)N2CCC(c3nc4c(F)cccc4[nH]3)CC2)C1 85540841 SMZDVRRBTPZFAV-HNNXBMFYSA-N 346.406 1.739 0 40 EDAB C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(OCC(N)=O)cc1 78898640 DCKDUFYNSPECBL-SUMWQHHRSA-N 345.443 1.287 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 78889619 OVQKUJGNSRENKN-CYBMUJFWSA-N 332.408 1.505 0 40 EDAB CSCC[C@@H](OC(=O)c1ccc(N2CCOC2=O)cc1)C(N)=O 79111810 PCGFLZOGJUOCHL-GFCCVEGCSA-N 338.385 1.407 0 40 EDAB O=S(=O)(CCN1CC[C@@H](O)C1)c1cccc(Br)c1 79435422 XRFXJTUECOKMGJ-LLVKDONJSA-N 334.235 1.289 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)COCc2cccs2)CC1 25330427 COPVTILCNJFTNG-CYBMUJFWSA-N 328.434 1.400 0 40 EDAB CN(C)CCC(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306130190 IYXKJAPIIIYIRF-OAHLLOKOSA-N 333.432 1.420 0 40 EDAB O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)COC2 547896468 NRWXWHCLNSEXPN-UHFFFAOYSA-N 347.392 1.992 0 40 EDAB CN(C(=O)CC1(O)CCCCC1)[C@@H]1CCN(CC(F)(F)F)C1=O 73613287 XYFCWLHCJLHQKX-LLVKDONJSA-N 336.354 1.693 0 40 EDAB Fc1ccccc1N1CCN(Cc2nnnn2Cc2ccco2)CC1 35288979 HFFZQOQVJYKRIH-UHFFFAOYSA-N 342.378 1.776 0 40 EDAB CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)C1CC1 533680899 HJWZRLIVXZVTHQ-QGZVFWFLSA-N 328.453 1.269 0 40 EDAB Cc1ccc(C2(C(=O)N(C)C[C@H](C)c3nnn[nH]3)CCOCC2)cc1 187257587 SCYKQLIHLQYIMD-AWEZNQCLSA-N 343.431 1.818 0 40 EDAB O=C(Cc1cccc(Br)c1)NCCCN1CCOCC1 123743884 LHHCLAGHTJDOTO-UHFFFAOYSA-N 341.249 1.830 0 40 EDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1OC 32639778 WQAWPBYMELLSRF-PWSUYJOCSA-N 326.443 1.790 0 40 EDAB N[C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc2c(c1)OCO2 72227689 ZOHWWEIOOLKOPL-SJORKVTESA-N 340.335 1.602 0 40 EDAB CN(Cc1cccs1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 44296337 TUQWKCDRFALSHB-UHFFFAOYSA-N 345.467 1.972 0 40 EDAB Cn1cc(-c2nnc(N3C[C@@H]4CCC[C@H]43)n2C[C@H]2CCCO2)cn1 566396693 FSLGWJDZHCLLPI-NWANDNLSSA-N 328.420 1.846 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1ccc(F)cc1 226603798 NYBLCEBJJZSWRO-BMFZPTHFSA-N 336.363 1.019 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3sncc3c2)C1 191324790 JJJFWNULELPUPM-SNVBAGLBSA-N 339.442 1.906 0 40 EDAB CN1CCN(C(=O)c2cc(NC(=O)c3ccccc3)n(C)n2)CC1 40761800 ATJCANPEADMHRZ-UHFFFAOYSA-N 327.388 1.060 0 40 EDAB CCn1c(=O)[nH]c2cc(C(=O)N3CCc4ccccc4C3)ccc2c1=O 47244637 FFVFXHZUXZANME-UHFFFAOYSA-N 349.390 1.908 0 40 EDAB COC(=O)C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC)c(OC)c1 44889116 GCWDTXJKXUOYOC-OCCSQVGLSA-N 337.372 1.603 0 40 EDAB CC(C)(C)[C@@H](O)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 75157834 LCWPNKPXLBEEIR-AWEZNQCLSA-N 336.388 1.310 0 40 EDAB CCN1CN(C(=O)N[C@H](C)c2ccccc2-n2cccn2)CC1=O 190010785 KRQZKMBFUIHGIS-CYBMUJFWSA-N 327.388 1.765 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)c1oc2ccccc2c1CN(C)C 96436156 ULFILDQNNGFLPU-GFCCVEGCSA-N 327.388 1.904 0 40 EDAB Cc1cc(NC(=O)N2CCNC(=O)C2)nn1-c1ccccc1Cl 96495591 ZKDVWVDCMRVLPJ-UHFFFAOYSA-N 333.779 1.798 0 40 EDAB CCC(=O)N1CCOC[C@]2(CC[C@@H](CN(C)Cc3ccco3)O2)C1 96063512 ARSBHJOKYXRHHA-WMZOPIPTSA-N 336.432 1.898 0 40 EDAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(O)cc2)o1 96116162 VPGPIACDMDGEQF-CYBMUJFWSA-N 334.324 1.892 0 40 EDAB biogenic CC(C)c1cc(CNC(=O)CN2CCN(c3ccccn3)CC2)on1 96427225 HAZCIHFYZVSWEH-UHFFFAOYSA-N 343.431 1.631 0 40 EDAB Fc1cnc(N2CCc3ncc(CNc4ccccn4)n3CC2)nc1 96197111 RRYHBVPMDSPPIC-UHFFFAOYSA-N 339.378 1.882 0 40 EDAB Cc1ncoc1C(=O)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CCO2)C1 96206783 JSVQFCFLYHXYNF-SUMWQHHRSA-N 343.387 1.649 0 40 EDAB C[C@H](CNC(=O)NCc1cccc(-n2cncn2)c1)Cn1cccn1 96410463 MELDISJMKJVXCC-CQSZACIVSA-N 339.403 1.599 0 40 EDAB CN1CCC[C@@H](NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1=O 96487106 YSMLDMXIEQQIRB-VXGBXAGGSA-N 331.199 1.764 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)N[C@@H]3CCN(C)C3=O)cc2F)n1 96415815 DWWKLUHHGNKSBP-CQSZACIVSA-N 345.378 1.980 0 40 EDAB O=C(Nc1cnccn1)[C@H]1CO[C@@H]2CN(Cc3ccsc3)C[C@@H]21 96216065 UAMZTIJGNYPMMF-HZSPNIEDSA-N 330.413 1.624 0 40 EDAB CC(C)(CCN1C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C1=O)S(C)(=O)=O 578851789 UOSWTSQWZYAKLZ-UPJWGTAASA-N 342.461 1.795 0 40 EDAB CCN1C[C@@]2(CC1=O)CN(C(C)=O)CCN(C(=O)c1ccsc1)C2 96036146 ZOIZIIAOXAIEMS-KRWDZBQOSA-N 349.456 1.291 0 40 EDAB O=C(CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 95475433 MGVHJSRPUHGBSB-AWEZNQCLSA-N 326.352 1.627 0 40 EDAB CN1C[C@H](NCc2cccnc2)CCC[C@@H](C(=O)NC2CC2)CC1=O 96113411 DTEPWHIQRXQBAQ-NVXWUHKLSA-N 344.459 1.467 0 40 EDAB biogenic,in-vitro C[C@@H]1CCN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)C[C@H]1O 96494201 JAGHPJKUSBMKPV-NOZJJQNGSA-N 338.770 1.903 0 40 EDAB COc1ccc(S(=O)(=O)Nc2cc(C)n(C)n2)cc1CC(=O)O 340807720 UVFYHNVDISFICN-UHFFFAOYSA-N 339.373 1.165 0 40 EDAB CNC(=O)c1cnc2n1CCN(C(=O)c1ccc3ccccc3n1)C2 247967047 SPTNBTPHRLAGAP-UHFFFAOYSA-N 335.367 1.447 0 40 EDAB CC(C)(C)c1csc(CCNS(=O)(=O)[C@@H]2CCC[C@H]2O)n1 585115569 HVDAKULOVNFFSV-GHMZBOCLSA-N 332.491 1.816 0 40 EDAB Cc1noc(C)c1CN1CC2(C[C@@H](OCC(=O)N(C)C)CS2)C1 248056593 YFGQXETVAHKCIU-CYBMUJFWSA-N 339.461 1.456 0 40 EDAB CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)Nc3cccnc3)CO2)C1 585120090 QGUOKUIXKDESDI-ZDUSSCGKSA-N 348.403 1.982 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CCN1C 257208149 BKYNVQIURCNHQF-KRWDZBQOSA-N 342.443 1.379 0 40 EDAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1cccc(Br)c1O 257263717 LRDJKCADCFOPLW-NQBHXWOUSA-N 344.205 1.549 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257216424 CUMOSTZHLSMGON-HNNXBMFYSA-N 341.415 1.909 0 40 EDAB CN1C(=O)C[C@@H](NCc2nc(C(C)(C)C)no2)[C@@H]1c1cccnc1 583620193 UABPYWDRJBKXEU-DOMZBBRYSA-N 329.404 1.824 0 40 EDAB CC(=O)N1C[C@@H](NC(=O)c2ncccc2O)CC[C@@H]1C(F)(F)F 583619985 FOLVEUGTFKXPOX-GXSJLCMTSA-N 331.294 1.459 0 40 EDAB CN(C)C(=O)CN1CCC[C@@H]1c1ccnc(Nc2ncccn2)c1 257303309 SGRDFPVWLDLBKW-CQSZACIVSA-N 326.404 1.840 0 40 EDAB CNC(=O)c1cn[nH]c1C1(C)CCN(C(=O)c2cccc(C)n2)CC1 257316550 VGBCKMSHHXBCHB-UHFFFAOYSA-N 341.415 1.667 0 40 EDAB CN(C)Cc1cnn(-c2ccccc2C(=O)N2CCN(C)CC2)c1 257274473 NLEHBLYDEFFXAQ-UHFFFAOYSA-N 327.432 1.322 0 40 EDAB O=C(c1ccncn1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257298179 RKNBGBBODQBZNR-AWEZNQCLSA-N 337.383 1.456 0 40 EDAB C[C@H](O)c1cn(C2CN(C(=O)C(F)(F)c3ccccc3F)C2)nn1 584908446 XICCISGGNIYDQU-VIFPVBQESA-N 340.305 1.646 0 40 EDAB Oc1ccc(CN2CC[C@H](O)[C@@](O)(COc3cccc(F)c3)C2)cc1 257284933 PEXSZKHYHNVDAF-OALUTQOASA-N 347.386 1.908 0 40 EDAB Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ncc(C)s2)no1 264158363 LZIZRZMGCBPPDG-SNVBAGLBSA-N 338.414 1.902 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1N(C)C 262697133 XVEVDWOKXDHYTK-ZDUSSCGKSA-N 326.418 1.689 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3COc4ccccc4O3)CCO2)n1 266112531 NDUIVQSBPWPFPQ-KBPBESRZSA-N 344.371 1.107 0 40 EDAB Cc1nc(C(=O)NC2CCC(O)(c3cccc(F)c3)CC2)n(C)n1 1615626879 LHCURKIYIWVEGB-UHFFFAOYSA-N 332.379 1.823 0 40 EDAB Cc1ccccc1C(=O)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 585270408 CIYCDHUPFMZGHL-UHFFFAOYSA-N 346.364 1.445 0 40 EDAB COc1nn(C)cc1C(=O)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148875 KKOZABQSUGZXLY-AWEZNQCLSA-N 327.384 1.993 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCO[C@H]21 585109193 CPNNPEXAWJCCGT-IKGGRYGDSA-N 340.379 1.826 0 40 EDAB CO[C@@H]1CCN(Cc2ccnc(C)n2)C[C@H]1CC(=O)N1CCCC1 585278494 SXFMVFJYLOIUHJ-NVXWUHKLSA-N 332.448 1.634 0 40 EDAB COc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C(C)C)C2=O)cc1 51381956 AMDWPZZESOSZLL-YVEFUNNKSA-N 336.388 1.401 0 40 EDAB CCOC(=O)[C@H](c1ccccc1)N1CCN(c2ncccn2)CC1 67472390 QDOIYUPJPHZGCR-INIZCTEOSA-N 326.400 1.903 0 40 EDAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NC3CCC(F)(F)CC3)[C@H]3CO[C@@H]2O3)c1 952844591 ADSOZTZMXSPTHW-ARILJUKYSA-N 343.374 1.385 0 40 EDAB biogenic,in-vitro O=C(NCCNC(=O)c1ccc(F)cc1)NCCc1cccnc1 69697097 DJXLXHFSNYGIFF-UHFFFAOYSA-N 330.363 1.492 0 40 EDAB COC(=O)[C@H](O)C1CCN(Cc2c(C)nc3sc(C)cn23)CC1 92015389 VCWKPIUDAFVSSD-CQSZACIVSA-N 337.445 1.759 0 40 EDAB COc1cccc(C(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)c1F 1615127155 BAIUKZKYAXEDJS-YVLXSGLVSA-N 327.352 1.241 0 40 EDAB O=C1CSc2ncc(C(=O)N3CCCC[C@H]3C3OCCO3)cc2N1 1615551359 SDMWZJGRDNAELS-LBPRGKRZSA-N 349.412 1.493 0 40 EDAB CCS(=O)(=O)c1ccccc1CCNC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21 1615544680 CFCMKWOEDOQBFD-BARDWOONSA-N 336.457 1.122 0 40 EDAB CCCC(=O)O[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 5781654 NJJNAEMZQBLYRV-RORMEEMCSA-N 330.377 1.726 0 40 EDAB COc1ccc(CCNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1OC 5918302 PSAOHKALWYJJHB-CLWVCHIJSA-N 349.383 1.241 0 40 EDAB COCC(=O)N1C[C@@H](c2cc(O)nc(C)n2)[C@H](c2ccccc2F)C1 12337951 MTKKYMWUTWXHGQ-UONOGXRCSA-N 345.374 1.986 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1nc2n(C)c3ccccc3n2c1=O 19496235 PCJDTYMSGMJBOA-CHWSQXEVSA-N 341.415 1.683 0 40 EDAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19529526 HPFWDUDMFYFZEJ-NUXNZHGMSA-N 330.384 1.192 0 40 EDAB C[C@@H](CNC(=O)c1cc2ccc(N(C)C)cc2[nH]1)N1CCOCC1 19656450 YCKGGPIYNOZKMV-ZDUSSCGKSA-N 330.432 1.684 0 40 EDAB C/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC[C@@H]2CCN3CC[C@@H](OC1=O)[C@H]23 5132670 BTHCJHQOYFUIMG-CFDLWFHTSA-N 337.416 1.273 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)CN2CCCC[C@H]2CCO)cc1 78776808 UTLRBEQPRZLFDO-AWEZNQCLSA-N 340.445 1.266 0 40 EDAB COCCN1CCC(CNS(=O)(=O)c2cc(C)ccc2C)CC1 22999858 JVIPLTXRSSJQPN-UHFFFAOYSA-N 340.489 1.940 0 40 EDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)Nc2ccccc2)CC1 575614879 BHTGRYZSQNSFQL-UHFFFAOYSA-N 340.449 1.327 0 40 EDAB Cc1nc(N2C[C@H]3CN(C(=O)C4CC=CC4)C[C@@H]3C2)nc(O)c1F 1888844644 UTBUQIAXJMAZEW-CHWSQXEVSA-N 332.379 1.491 0 40 EDAB Fc1cncnc1N1CCN(c2cc(N3CCCC3)ncn2)CC1 1889078021 ORJBCTGUJHKQRE-UHFFFAOYSA-N 329.383 1.333 0 40 EDAB COc1nc(OC)nc(N2CCC[C@H](COc3ncc(C)cn3)C2)n1 1889125249 SLULUUSTWRDGIC-LBPRGKRZSA-N 346.391 1.283 0 40 EDAB COc1cnc(OC2CCN(C(=O)c3scnc3C)CC2)nc1 1889139133 CUWXNAWTELHEEP-UHFFFAOYSA-N 334.401 1.934 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1ccnc(O[C@@H]2CCOC2)c1 244986276 JNPJASPPZLEHOT-CQSZACIVSA-N 342.351 1.908 0 40 EDAB Cn1cnc2c(N3CCN(Cc4ccncc4F)CC3)ncnc21 2086968228 IQKWPHIZKPFXSP-UHFFFAOYSA-N 327.367 1.220 0 40 EDAB O=C(N1CCO[C@H]2[C@@H]1CC[C@@H]2CNc1ncccn1)C1(F)CCC1 1565546866 BAJOIHCRNVEFCD-HZSPNIEDSA-N 334.395 1.787 0 40 EDAB O=C(NCC1CC1)c1ccc2n1CCN(C(=O)c1cc[nH]c1)CC2 1565543960 KXNCKMXAZUBOCD-UHFFFAOYSA-N 326.400 1.655 0 40 EDAB COc1cccc(N2C[C@H](NC(=O)NC[C@H]3CCCO3)CC2=O)c1 4373321 CLAIUQZNNDUMQZ-IUODEOHRSA-N 333.388 1.279 0 40 EDAB O=C(CN1C(=O)CCC1=O)Nc1nc2cc3c(cc2s1)OCO3 4348647 MGDOOVSXKVDVMI-UHFFFAOYSA-N 333.325 1.113 0 40 EDAB CCOC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479149 YIOUCDYUBCANCL-UHFFFAOYSA-N 332.747 1.799 0 40 EDAB O=C(C[C@@H](NCCCO)C(=O)O)Nc1cccc(C(F)(F)F)c1 5258053 MLDRPCXTWLFISL-LLVKDONJSA-N 334.294 1.459 0 40 EDAB COc1ccccc1Nc1c(C)cnc2c1c(=O)n(C)c(=O)n2C 12226801 SHXREMKSKYXAIZ-UHFFFAOYSA-N 326.356 1.693 0 40 EDAB CN1CCCc2cc(CCNC(=O)C(=O)NC[C@@H]3CCCO3)ccc21 13006822 NLXRLROVFYNFLW-INIZCTEOSA-N 345.443 1.023 0 40 EDAB CC(C)[C@@H](Cn1ccnn1)NC(=O)c1ccc(N2CCOCC2)cc1 575616140 JQCPAPWXUIRUAP-QGZVFWFLSA-N 343.431 1.569 0 40 EDAB O=C(Cn1cnc2ccccc21)NCc1cn(-c2ccsc2)nn1 575619820 ZHNBPFFZWODSBB-UHFFFAOYSA-N 338.396 1.995 0 40 EDAB O=C(c1ccc(Cl)c(Cl)c1)N1CC(N2C(=O)[C@H]3C[C@H]3C2=O)C1 585388489 XHYCFQVXFRIZMJ-AOOOYVTPSA-N 339.178 1.823 0 40 EDAB O=c1ccc(C2CC2)nn1CC1CCN(CC2(O)CCOCC2)CC1 585506002 TUFFMRKDWLUGCW-UHFFFAOYSA-N 347.459 1.374 0 40 EDAB CNc1nc2c(c(O)nc(=O)n2C)n1CCc1ccc(OC)cc1 23115351 OVWPMZCSWRSZLS-UHFFFAOYSA-N 329.360 1.129 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1cccnc1 40090128 XLHSOYHHGOZMDE-GXTWGEPZSA-N 325.434 1.397 0 40 EDAB CC1(C)OC(=O)N(CCCN2C(=O)OC(C)(C)[C@@]2(C)O)[C@]1(C)O 36875 JGBFGNPMJHHGLC-HUUCEWRRSA-N 330.381 1.255 0 40 EDAB Cc1[nH]ccc(=O)c1OCC(=O)NCCc1c[nH]c2ccccc12 40309232 RNVAQUOYRKXKET-UHFFFAOYSA-N 325.368 1.902 0 40 EDAB biogenic CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H](C)c2ccncc2)c1 31140768 SEMZVUPIJXURQQ-LBPRGKRZSA-N 348.428 1.550 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)N[C@H](C)c2ccncc2)c1 31140771 SEMZVUPIJXURQQ-GFCCVEGCSA-N 348.428 1.550 0 40 EDAB Cc1ccc(-c2noc(CN3CCN([C@@H](C)C(N)=O)CC3)n2)cc1 40487751 VGKIQKMCBRQMLX-ZDUSSCGKSA-N 329.404 1.036 0 40 EDAB O=C(NCCCN1CCCCC1)[C@H]1CC(=O)N(Cc2ccco2)C1 40475473 IPPWWBRYYOEPFB-HNNXBMFYSA-N 333.432 1.620 0 40 EDAB O=C(NCCc1cnn(-c2ccccc2)c1)N[C@H]1CCCCNC1=O 45412981 QQYFROWUDQLFIQ-INIZCTEOSA-N 341.415 1.383 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)c2occc2COc2ccccc2)CCO1 50854332 GHOWCJOXPXFQOU-AWEZNQCLSA-N 330.340 1.185 0 40 EDAB N#Cc1cccc(S(=O)(=O)N2C[C@@H](C(=O)O)Oc3ccccc32)c1 18707961 VYRBUDNMWPRMAS-HNNXBMFYSA-N 344.348 1.599 0 40 EDAB CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@@H]1CCS(=O)(=O)C1 31611695 OQJCNDHBTHBDAZ-GFCCVEGCSA-N 337.376 1.475 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1 28914330 GISOKRVGSSEKOS-CYBMUJFWSA-N 335.381 1.814 0 40 EDAB CCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 36712606 KDCUSQMMQNTXIW-AWEZNQCLSA-N 343.401 1.324 0 40 EDAB CCN(CC)C(=O)CSc1nnc(-c2ccncc2)n1CCOC 2625113 JXRLRLFXFXHENL-UHFFFAOYSA-N 349.460 1.947 0 40 EDAB C[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C1 2649505 RYULIHBOBOHRPZ-CYBMUJFWSA-N 339.461 1.607 0 40 EDAB CC(C)n1nccc1NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 101246129 ASDHXKBJBONCKY-CQSZACIVSA-N 340.383 1.922 0 40 EDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CCOC1 41374224 XOKDLOXAPQUNOL-DYVFJYSZSA-N 329.400 1.368 0 40 EDAB CN1N=C(C(=O)N2CCCN(Cc3cccs3)CC2)CCC1=O 41363664 KUQQFNZZVJUASX-UHFFFAOYSA-N 334.445 1.391 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)c3ccc(O)nc3)cn2)C[C@@H](C)O1 60442667 PFHLPIALIQCDSX-BETUJISGSA-N 342.399 1.726 0 40 EDAB CCOC(=O)N1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 22250962 IRWHBBXPOBCENP-UHFFFAOYSA-N 334.372 1.301 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc(C)cc2)C1 57320406 URKFZZZARIYYJD-NVXWUHKLSA-N 332.444 1.927 0 40 EDAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cc2ccc(C)cc2)C1 57320405 URKFZZZARIYYJD-RDJZCZTQSA-N 332.444 1.927 0 40 EDAB Cn1cc(CCNC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cn1 46993644 ACHYDCLXELZRQS-INIZCTEOSA-N 332.379 1.885 0 40 EDAB COC(=O)Cn1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)cn1 54040630 KDVIHQKAHZYWNQ-UHFFFAOYSA-N 335.385 1.346 0 40 EDAB CNC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1 22616514 JISAMGMXCGOQGF-HNNXBMFYSA-N 340.383 1.264 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)c1csc(Br)c1 37503749 NHLXXPJAOBCEDL-VIFPVBQESA-N 333.251 1.961 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 106775583 XXAZIIFSSXMRNB-DLBZAZTESA-N 339.443 1.653 0 40 EDAB Cc1noc2ncc(S(=O)(=O)N3C[C@H]4CCCN4C[C@H]3C)cc12 106911696 ATGPEWWIOOKNIO-ZYHUDNBSSA-N 336.417 1.388 0 40 EDAB C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)Cc1ccccc1 25418033 LJPNHLSWNVILTP-INIZCTEOSA-N 339.443 1.646 0 40 EDAB CCN1CCC[C@H]1CNC(=O)N[C@H](C)c1nnnn1-c1ccccc1 107356066 JVDOHKXQIBTCCD-HIFRSBDPSA-N 343.435 1.507 0 40 EDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1cn2ccccc2n1 57210226 WWEFXEMSPPJTGV-KRWDZBQOSA-N 346.456 1.272 0 40 EDAB C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)n1cncn1 44576766 CBXHNYHQLFIVHY-XJKSGUPXSA-N 347.394 1.168 0 40 EDAB CCn1c(S)nnc1CNC(=O)C(=O)c1ccc2c(c1)CCC2 108896218 PAOLYVWYKVOFQP-UHFFFAOYSA-N 330.413 1.575 0 40 EDAB C[C@@H](Cc1ccsc1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 58282870 QTLVCZQEIUIOCM-NSHDSACASA-N 349.441 1.633 0 40 EDAB C[C@H](NC(=O)CCn1nc(-c2cccs2)oc1=O)[C@H]1CCCO1 44912010 ODFSCTRIZCVLHF-WDEREUQCSA-N 337.401 1.639 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)COc2ccc(Cl)cc21)[C@H]1CCCO1 27889591 NTIWXBVJQGOEBW-ZWNOBZJWSA-N 338.791 1.749 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2ccncc2)c1Cl 27970607 VITPTKMXMLBOTN-NSHDSACASA-N 326.809 1.994 0 40 EDAB Cn1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1=O 28503307 YHWIMOMVNGXMLG-UHFFFAOYSA-N 325.412 1.386 0 40 EDAB O=C(OCC(=O)c1ccc[nH]1)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 12634402 GCVLPXRRJNJRDP-OAHLLOKOSA-N 339.351 1.975 0 40 EDAB COC(=O)c1ccc(NC(=O)NC[C@H](O)CN2CCCCC2)cc1 48007028 PJROAYAUNYJGKP-HNNXBMFYSA-N 335.404 1.442 0 40 EDAB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(F)cc1 3321661 XWSFZHYAIJMSRN-UHFFFAOYSA-N 348.305 1.877 0 40 EDAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 12784683 RURFRULIOJLMSO-LLVKDONJSA-N 347.396 1.585 0 40 EDAB O=c1n(Cc2nc(-c3cccs3)no2)nnn1-c1ccccc1 12795083 SCKYZKCGKGDGNV-UHFFFAOYSA-N 326.341 1.589 0 40 EDAB Nc1ncc(Br)nc1N1CCN[C@H](c2ccccc2)C1 22113819 IQNZGGJWXBMSKX-NSHDSACASA-N 334.221 1.972 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)Cn2nnc3ccccc32)n1 48353893 MTIUOAPLCQAEOJ-GFCCVEGCSA-N 326.404 1.697 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1OC 3487733 JJXZKBNAZINHJO-GFCCVEGCSA-N 349.387 1.609 0 40 EDAB CCCCn1c(S[C@@H](C)C(=O)Nc2cc(C)on2)n[nH]c1=O 13013156 VRVXGZMYARKELE-VIFPVBQESA-N 325.394 1.787 0 40 EDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408594387 OVXJTLMKAOPOBL-VIFPVBQESA-N 334.825 1.542 0 40 EDAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccnc2)n2ncnc2N1 4059301 DZYGTNRKIXTTQQ-HNNXBMFYSA-N 333.355 1.996 0 40 EDAB Cc1ncc2c(n1)CN(CC(=O)N1CCO[C@@H]3CCCC[C@@H]31)CC2 69490774 VDQQQOOHPVGZAC-DLBZAZTESA-N 330.432 1.313 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3cc(=O)n4ccccc4n3)CCO2)c1 69452068 NQZMYCKAGZFJOJ-INIZCTEOSA-N 339.399 1.100 0 40 EDAB CNC(=O)c1cccc(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)c1C 69582079 RHLMEDCOJRLHNA-NSHDSACASA-N 334.420 1.779 0 40 EDAB COc1ccc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)cn1 69530389 MLCREFDLGYGNNO-QWHCGFSZSA-N 334.420 1.679 0 40 EDAB COC(=O)C1(NC(=O)[C@@H]2Cc3ccccc3N2C(C)=O)CCCCC1 69527616 AEGWBMBRVZOTON-INIZCTEOSA-N 344.411 1.956 0 40 EDAB COc1cc(CNC(=O)C2=NNC(=O)CC2)ccc1OC1CCCC1 65452098 DPFLKRFSEIONIQ-UHFFFAOYSA-N 345.399 1.899 0 40 EDAB NC(=O)NC(=O)[C@H](c1ccccc1)N1CCC(c2ccn[nH]2)CC1 65541114 DENSIECNNRHFMC-HNNXBMFYSA-N 327.388 1.525 0 40 EDAB CSc1ccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 14182406 TXCRVOIPKROZHC-RUDMXATFSA-N 331.397 1.458 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)c1cn(C)nc1C 69651043 XPDCLSYCLYOQGX-VIFPVBQESA-N 331.376 1.719 0 40 EDAB Cc1csc2nc(CN3CCC[C@@H]3Cn3cncn3)cc(=O)n12 69697722 PXMDSWCARHNZHK-CYBMUJFWSA-N 330.417 1.321 0 40 EDAB COc1ccc(C(=O)NCCN2CCN(C(=O)C=C(C)C)CC2)cc1 69622061 XJBMFAJIEFGLNO-UHFFFAOYSA-N 345.443 1.535 0 40 EDAB COc1ccc(NC(=O)C(=O)NCc2ccc(C)nc2OC)cn1 66221345 WWZNRRLYCLJBGO-UHFFFAOYSA-N 330.344 1.057 0 40 EDAB O=c1[nH]c(=O)n(-c2ccccc2F)c2c1CN(Cc1ccco1)CN2 6757788 QEWKBODKVBIQOI-UHFFFAOYSA-N 342.330 1.643 0 40 EDAB O=S(=O)(CCCN[C@H]1CCc2ncnn2C1)c1ccc(F)cc1 69739221 UMRYQKUSWXNVNK-ZDUSSCGKSA-N 338.408 1.186 0 40 EDAB COCCN(CC(=O)OC)C(=O)c1ccc(Br)cc1F 69739972 MLTXEHWAEJYNDQ-UHFFFAOYSA-N 348.168 1.850 0 40 EDAB C[C@@H]1CN(C[C@H](O)COc2ccccc2)CCN1Cc1nccn1C 69702746 MIOVRHRMXMBWNI-SJORKVTESA-N 344.459 1.366 0 40 EDAB CCc1noc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)n1 69744401 LUJPOGMPZKESJP-HNNXBMFYSA-N 346.431 1.190 0 40 EDAB CCN(CC)C(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 5952351 GFMFGMDSIDUKMN-GFCCVEGCSA-N 328.434 1.718 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(F)ccc2F)cc1 20768493 OJZKCESYCWMEPU-UHFFFAOYSA-N 326.324 1.542 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)COc2ccc(CC(=O)NCCO)cc2)C1 69894009 GBQBWSYDMCTZGM-GJZGRUSLSA-N 348.443 1.221 0 40 EDAB Cc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cn1 89652192 SYFQGWNEAPAEES-SFHVURJKSA-N 325.412 1.539 0 40 EDAB c1ccc2oc(CCCN3CCO[C@H](Cn4cncn4)C3)nc2c1 69975978 FAGSQNPULOSPNN-AWEZNQCLSA-N 327.388 1.753 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 7307206 APPXBLYDLRYUGB-HNNXBMFYSA-N 348.380 1.137 0 40 EDAB CC(=O)N[C@H](C)C(=O)OC[C@@H]1CCCCN1C(=O)OC(C)(C)C 69949041 VLGNFOIEQGRTCL-YPMHNXCESA-N 328.409 1.844 0 40 EDAB Nc1nc(COC(=O)CNC(=O)c2ccccc2)nc2ccccc12 18321504 PDTAIOPZMZNLQW-UHFFFAOYSA-N 336.351 1.685 0 40 EDAB O=C(NCc1ccccn1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060014 JVRZLHGXWXMPTR-LBPRGKRZSA-N 337.387 1.281 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 409303294 IBFKGMSGUGDESQ-BASYENTBSA-N 327.336 1.058 0 40 EDAB Cc1nn(C)c(Cl)c1CNCCC(=O)N1C[C@H](C)O[C@@H](C)C1 71837098 PLFIMDBCZYZKFP-QWRGUYRKSA-N 328.844 1.497 0 40 EDAB COCc1nc(C(=O)N2CCN(Cc3ccccn3)CC2)cs1 71830941 XOPYCAXLNOPXNZ-UHFFFAOYSA-N 332.429 1.643 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 71869720 FDMRSNYGYODBOC-RDJZCZTQSA-N 344.459 1.974 0 40 EDAB CCS[C@@H]1CCCCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 71899380 BJHLYTCLVWVDTN-ZIAGYGMSSA-N 348.534 1.935 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)CCOc2ccccc2Br)C1 71821075 KVNLCIDEKHWEDO-SNVBAGLBSA-N 341.205 1.552 0 40 EDAB CC(=O)N1CCN(c2ccccc2CNC[C@@H]2CCCN(C)C2)CC1 89954533 MWXQELTYIVZIOG-SFHVURJKSA-N 344.503 1.787 0 40 EDAB CCN(Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)C1CCCC1 71821747 AXDXTEBKABMZLQ-UHFFFAOYSA-N 349.460 1.830 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CN2CCC[C@H]2Cn2cccn2)c1 71875766 FHIULKNWNSZGPJ-AWEZNQCLSA-N 341.394 1.971 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)O)C(C)C)ccc12 19909875 GJCWMVOZLSIEBI-INIZCTEOSA-N 333.340 1.706 0 40 EDAB Nn1c(SCC(=O)NC2CCCC2)nnc1-c1cccc(F)c1 9800927 GOHOTRTYYZJQGT-UHFFFAOYSA-N 335.408 1.949 0 40 EDAB CCCc1nc(C[S@@](=O)CC(=O)NCc2cccs2)no1 72277296 PFKHKJDIHFTEAM-NRFANRHFSA-N 327.431 1.649 0 40 EDAB CC(C)C(=O)NCc1cccnc1N1CCN(C(=O)C(C)C)CC1 72277616 OBURORMWHBZZDB-UHFFFAOYSA-N 332.448 1.658 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)c2ccnc(N3CCCC3)n2)no1 72299325 QSPQSPIMURLRNK-ZDUSSCGKSA-N 342.403 2.000 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)n1 76045791 CMLDUNVQZMKBFZ-CYBMUJFWSA-N 342.403 1.638 0 40 EDAB COC(=O)CC1CCN(C(=O)c2ccccc2-n2nnnc2C)CC1 72406209 MAOIJIOYKKBXIP-UHFFFAOYSA-N 343.387 1.386 0 40 EDAB CCCOc1ccc(CNC(=O)CSc2n[nH]c(=O)n2C)cc1 97493837 AZZIDLXJDDZANJ-UHFFFAOYSA-N 336.417 1.306 0 40 EDAB NC(=O)CCn1ccc(NC(=O)C[C@@H]2OCCc3ccsc32)n1 84613337 GRLNFXQGXLUSOD-NSHDSACASA-N 334.401 1.463 0 40 EDAB O=C(CN1CCCS1(=O)=O)O[C@@H](c1ccccc1)c1ccccn1 95350832 UKQZSDSYXJBTSS-KRWDZBQOSA-N 346.408 1.750 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C2)n1 95369527 SVNDLLHSCFQSCB-KBPBESRZSA-N 332.404 1.485 0 40 EDAB CN(C)[C@@H](CNC1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 95419046 NQKOUORGDAOBBB-QGZVFWFLSA-N 339.505 1.173 0 40 EDAB C[C@@H](NC(=O)C[S@](=O)Cc1cccc2ccccc12)C(=O)N(C)C 95417599 VOJFRVBLVBIAIB-OZAJXLCCSA-N 346.452 1.681 0 40 EDAB Cn1cnc(S(=O)(=O)N(Cc2ccccc2)CC2(O)CCCC2)c1 95448577 CNBFWYDTDVEBEV-UHFFFAOYSA-N 349.456 1.916 0 40 EDAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc2c(c1)OCCO2 78986950 PMFBNJXQJKIISO-SNVBAGLBSA-N 344.289 1.351 0 40 EDAB O[C@H](CN1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1)Cn1cccn1 78900983 CFEXIWDKBHPIAF-NWDGAFQWSA-N 343.353 1.866 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CC2)on1 95956428 ASRCGXZDAJRLKU-HZPDHXFCSA-N 329.404 1.164 0 40 EDAB CN1CCCN(c2ccc(CNC(=O)NCC(F)(F)F)cn2)CC1 89382469 KGJPRACPURSNJL-UHFFFAOYSA-N 345.369 1.585 0 40 EDAB Cn1cc(C(=O)Cn2nc(Br)nc2Br)cn1 75093656 UNHFREWVTPASOX-UHFFFAOYSA-N 348.986 1.420 0 40 EDAB CCCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 60510335 MMLXYXKRHLKTLA-UHFFFAOYSA-N 349.250 1.741 0 40 EDAB COC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 1907649 XWKTXAIXPJTINP-QWRGUYRKSA-N 333.340 1.546 0 40 EDAB biogenic N[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218159610 BQBRZHSUXSBZFO-YESZJQIVSA-N 347.392 1.045 0 40 EDAB CC(C)(C)c1noc(CSCC(=O)N[C@@H]2CCCCNC2=O)n1 78555750 CWDARHQKCJEITP-SNVBAGLBSA-N 340.449 1.385 0 40 EDAB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H](O)c1ccc2c(c1)OCO2 36040077 BJQJOBNEPFXROF-NWDGAFQWSA-N 325.317 1.427 0 40 EDAB O=C(Cn1c2c(c3ccccc31)CCC2)NCCn1ncccc1=O 36708638 GUBOUEONWVLLMF-UHFFFAOYSA-N 336.395 1.503 0 40 EDAB CN(C)c1cccc(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)O)c1 556714522 HIBXUDMUBRHGPT-CYBMUJFWSA-N 342.417 1.005 0 40 EDAB COCCn1cc(NC(=O)Nc2ccc(-n3nccn3)cc2)cn1 127984869 QDPLXARIMVZVKC-UHFFFAOYSA-N 327.348 1.754 0 40 EDAB COCC(=O)Nc1cccc(NS(=O)(=O)[C@@H]2CCCC[C@@H]2O)c1 78551961 SXZANGXWVGBXJC-UONOGXRCSA-N 342.417 1.317 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCn2c(nnc2C(F)(F)F)C1 79480255 QRABXPFQDHNNFK-UHFFFAOYSA-N 343.309 1.877 0 40 EDAB O=C(c1c(F)cccc1F)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238821948 CVXMGKKCHMGWAC-RYUDHWBXSA-N 346.333 1.740 0 40 EDAB CCCCN1CC(=O)N(c2cccc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 36080488 HPYMPAQFWMWXFO-JKSUJKDBSA-N 336.457 1.609 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)Cc2ccccc2C(=O)O)c1 71285803 QYZXBOWWVALDMJ-UHFFFAOYSA-N 334.353 1.213 0 40 EDAB O=C(c1cc([C@@H]2CCCCN2C(=O)C2CCC2)n[nH]1)N1CCOCC1 72380478 QAFIBBCMOJPXOF-INIZCTEOSA-N 346.431 1.736 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1C[C@H](O)COCc1ccco1 44949551 HLKGWULWVBGSGE-FUHWJXTLSA-N 344.411 1.330 0 40 EDAB CN(CC(F)(F)F)C(=O)Cn1ccnc1[C@@H](O)c1ccccc1 133688410 LXACLKOATQLJRB-ZDUSSCGKSA-N 327.306 1.986 0 40 EDAB O=C(O[C@@H]1CCOC1=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 61419612 GZIDEYDGPFGDHU-UKRRQHHQSA-N 349.358 1.466 0 40 EDAB Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@H]1c1ncc[nH]1 568191411 HBELYOBYFYOHIC-ZDUSSCGKSA-N 349.416 1.128 0 40 EDAB Cc1cc(N2CCOCC2)nc(NC(=S)NCc2cccnc2)n1 225941400 RMQXVRDUQUJGJD-UHFFFAOYSA-N 344.444 1.503 0 40 EDAB C[C@@H](NC(=O)COc1ccc2ncn(C)c(=O)c2c1)c1ccco1 225451188 IGJJGYSDVNOCAU-LLVKDONJSA-N 327.340 1.783 0 40 EDAB O=C([C@@H]1OCCc2ccccc21)N1CC[C@H](Oc2cnccn2)C1 225796063 FOVYLWQEGIUFJU-WMLDXEAASA-N 325.368 1.770 0 40 EDAB CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ncc(C)o1 330710423 PEQDOZJQDINTGQ-OLZOCXBDSA-N 343.449 1.755 0 40 EDAB CCO[C@@H]1C[C@](NC(=O)c2n[nH]c3ccccc23)(C(=O)O)C1(C)C 193025190 RGDHENLWKSZVGH-PXAZEXFGSA-N 331.372 1.951 0 40 EDAB CC1(C)CN(C(=O)N[C@@H](CCN)C(F)(F)F)C[C@]2(CCOC2)O1 331487081 AKRDTGISOXXMHZ-GWCFXTLKSA-N 339.358 1.246 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCC3(CC2)C[C@H](N(C)C)CO3)c1 96063055 SMCUEYWVMRUULD-HNNXBMFYSA-N 338.473 1.869 0 40 EDAB O=S(=O)(Nc1nnc2ccccn12)c1cc(F)c(F)c(F)c1 96433464 DMCHFZMEIJIRPA-UHFFFAOYSA-N 328.275 1.947 0 40 EDAB O=C(c1ccncn1)N1CC[C@]2(C[C@H](OCC3CCOCC3)CO2)C1 96110870 VVOOQLFXCNJSRG-YJBOKZPZSA-N 347.415 1.293 0 40 EDAB O=C(NC1CC(F)(F)C1)[C@]12COC[C@H]1CN(CC1CCOCC1)C2 96110148 YGFXUSLYDMUZIP-CZUORRHYSA-N 344.402 1.275 0 40 EDAB CN1CC[C@]2(COCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 96201936 FOGAWBOYBKHADO-HNNXBMFYSA-N 328.409 1.169 0 40 EDAB CN(C)c1ccc(CCNC(=O)NC[C@](C)(O)c2cnn(C)c2)cc1 96421500 LHMJNZTYENQUCE-SFHVURJKSA-N 345.447 1.236 0 40 EDAB O=C(NCc1cccs1)c1nc2c(o1)CN(c1ncccn1)C2 96266053 FNMZQIJILWPBEX-UHFFFAOYSA-N 327.369 1.976 0 40 EDAB C[S@](=O)CCNC(=O)NCCOc1ccc(Br)cc1 96408802 NIHKYRYRPHJXAU-LJQANCHMSA-N 349.250 1.506 0 40 EDAB CO[C@@H](C)c1noc(CN(C)c2ncc(Br)cn2)n1 96449447 QGTUNEWNWNVUFB-ZETCQYMHSA-N 328.170 1.966 0 40 EDAB CN1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]21 96185626 WYWBBSPCSMDNEK-YCPHGPKFSA-N 345.472 1.504 0 40 EDAB CCN1CCO[C@@H]2CN(C(=O)CC3Cc4ccccc4C3)C[C@@H]2C1 96107967 WWAAIJVINQWZGD-RBUKOAKNSA-N 328.456 1.971 0 40 EDAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@@H]1CC[S@@](=O)C1)C2 583598168 FUIFVPDWGINGFE-JCQPUDPBSA-N 334.441 1.773 0 40 EDAB CCNC(=O)CN1CCN(Cc2cc3cc(OC)ccc3o2)CC1 96489663 RWKXPQIATTXPSE-UHFFFAOYSA-N 331.416 1.695 0 40 EDAB CN(C)C[C@@H]1CO[C@@]2(CCCN(C(=O)c3cnc4ccccn34)C2)C1 96090138 CRZMAJAHDSODAQ-BEFAXECRSA-N 342.443 1.907 0 40 EDAB CCOC[C@@H]1CCCN(Cc2cnc(N3CCN(C)CC3)nc2)C1 93419293 ZTZUOGLLSMZVKY-MRXNPFEDSA-N 333.480 1.477 0 40 EDAB CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccncc2)O1 96064609 NIVXTYXBOKORTQ-ULQDDVLXSA-N 333.432 1.308 0 40 EDAB Cc1cc(C(=O)N2CCc3ncc(Cn4cncn4)n3CC2)c(C)o1 96197002 AGMCLXBZACTSIX-UHFFFAOYSA-N 340.387 1.431 0 40 EDAB CN(C)C(=O)N[C@H]1CN(Cc2ccc3c(c2)OCO3)[C@@H]2CCCO[C@H]12 96186842 YYGFBFOUCLNYPU-JJRVBVJISA-N 347.415 1.418 0 40 EDAB COC(=O)c1cc(CN2CCN(Cc3cccc(F)c3)C(=O)C2)c[nH]1 96490063 HKNDTKXDTGJPAN-UHFFFAOYSA-N 345.374 1.785 0 40 EDAB Cn1cc([C@@H]2CC(=O)NC23CCN(Cc2nccs2)CC3)cn1 96199763 MSKADRUPZPAQGU-ZDUSSCGKSA-N 331.445 1.515 0 40 EDAB CS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1ccc(N)cc1 96519724 SEIPMYPCLVQEOM-IUCAKERBSA-N 328.615 1.634 0 40 EDAB O=C(NC1CC1)[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21 247726712 DYCPQEFSJGXSHE-OAHLLOKOSA-N 340.383 1.447 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O 257219493 DGZBCHWSEXXBHB-BFYDXBDKSA-N 331.420 1.345 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)n1 257329845 XLTIWRVIRHLJDF-OAHLLOKOSA-N 345.403 1.065 0 40 EDAB COc1ccc2c(c1)OCCN(c1nccc(N3CCOCC3)n1)C2 585080327 MAISKAHEXSHCJD-UHFFFAOYSA-N 342.399 1.721 0 40 EDAB Cc1nn(C)cc1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257228600 FUNMHMNNWDZCPH-HNNXBMFYSA-N 342.390 1.037 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cn[nH]c2)o1 585135140 ZITQRTPJGWGWIH-SNVBAGLBSA-N 325.346 1.315 0 40 EDAB CS(=O)(=O)[C@H]1CCC[C@H](NCc2cc3c(cn2)OCCO3)C1 585118434 OUONRVJCWFXDAI-AAEUAGOBSA-N 326.418 1.298 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1 257265690 LZWMPOTXGUEQOM-OAHLLOKOSA-N 329.356 1.703 0 40 EDAB COC(=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(N)=O)cc1 254286882 OGOHJYBNTDDZOQ-UHFFFAOYSA-N 338.319 1.155 0 40 EDAB CNS(=O)(=O)c1csc(C(=O)N2CCC[C@@H]2c2ccn[nH]2)c1 286889372 AXUURDCJZAHXPR-LLVKDONJSA-N 340.430 1.357 0 40 EDAB CN1c2ccc(NC(=O)OCC(F)(F)F)cc2N(C)S1(=O)=O 390826830 CCVGWKKOPOXGRQ-UHFFFAOYSA-N 339.295 1.928 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(F)c(F)c1 390828708 BQYDTOVWFHJGPC-LLVKDONJSA-N 344.325 1.411 0 40 EDAB O=C(Nc1cc2c(cn1)OCCC2)[C@@H]1OCC[C@@H]1Cn1cccn1 585142363 UNKUEKHJUYKUGU-CZUORRHYSA-N 328.372 1.647 0 40 EDAB CCCCN1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 585100087 FKZNNYVWSSBDHV-MRXNPFEDSA-N 330.494 1.678 0 40 EDAB Cc1cn(CC(=O)Nc2ccc3c(n2)OCCO3)nc1C(F)(F)F 585123924 PEJNDWDBQNTFLR-UHFFFAOYSA-N 342.277 2.015 0 40 EDAB O=C(c1ccnc(F)c1)N1CCCn2c(CN3CCCC3)nnc2C1 585110550 UGDCHSCFMJISFI-UHFFFAOYSA-N 344.394 1.454 0 40 EDAB C[C@@H]1c2ncc(CCOc3cccnc3)n2CCN1S(C)(=O)=O 585097289 IBADELOPJNUAAQ-GFCCVEGCSA-N 336.417 1.236 0 40 EDAB O[C@@H]1[C@@H](NCCN2CCOCC2)CCC[C@H]1Oc1ccc(F)cc1 585283443 ASPABNYWJRRZNJ-RCCFBDPRSA-N 338.423 1.408 0 40 EDAB COc1cccc([C@@H]2CCCN2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 42869097 LIEHSQOTAGEITH-ZFWWWQNUSA-N 338.429 1.729 0 40 EDAB c1cc(CNCc2ccc(N3CCOCC3)nc2)c2c(c1)OCO2 44948695 CEWCAKNNXVHJKH-UHFFFAOYSA-N 327.384 1.937 0 40 EDAB O=S(=O)(C1CCCCC1)N1CC(c2nc(-c3cnccn3)no2)C1 49484946 OLCAPRGSUMFYAA-UHFFFAOYSA-N 349.416 1.588 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCC2 64317412 ZUCKWNZWRQCLLJ-KRWDZBQOSA-N 342.420 1.781 0 40 EDAB CNC(=O)Cn1cnc(NC(=O)c2ccc(-c3ccc(C)o3)s2)n1 96005760 AEGPGJPZUSAZAG-UHFFFAOYSA-N 345.384 1.906 0 40 EDAB O=C(N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(=O)[nH]n1 12337411 UALJUGLVVNBHHR-AWEZNQCLSA-N 341.367 1.573 0 40 EDAB Cc1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1cnc(N(C)C)nc1C 19125907 RBEBVHSVWNCHQW-UHFFFAOYSA-N 326.360 1.581 0 40 EDAB CN(C)CCNC(=O)C1CCN(c2nc3ccccc3n2C)CC1 19289969 JEXGWMZVSHFIFY-UHFFFAOYSA-N 329.448 1.468 0 40 EDAB CC(=O)Nc1cnn([C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)c1 1888854265 RWPIQGKRUJNUBY-CQSZACIVSA-N 330.392 1.279 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)C5CC5)C[C@H]4C3)n1)CCC2 1888869979 DKJPWVHNZGMGAL-BETUJISGSA-N 348.472 1.134 0 40 EDAB Cc1cc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)n2ncnc2n1 1888890384 IUAABKAJKVLKNG-OKILXGFUSA-N 348.366 1.059 0 40 EDAB Cc1csc(=O)n1CCC(=O)NC[C@H]1CN(CC(C)C)CCO1 28016863 PNUJHZCLIPJJGZ-AWEZNQCLSA-N 341.477 1.081 0 40 EDAB CCCNC(=O)CN1CCC(NC(=O)/C=C/c2cccs2)CC1 29225169 NBEKTDLKMJKBAX-AATRIKPKSA-N 335.473 1.868 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1ccc(-n2cccn2)cc1 40554760 PKMNDTKLOHUDEL-UHFFFAOYSA-N 330.369 1.298 0 40 EDAB O=C(NCc1ccco1)C(=O)NC[C@@H](c1ccsc1)N1CCC1 245174019 YGKUSUPCHJMAEA-AWEZNQCLSA-N 333.413 1.521 0 40 EDAB CN1C(=O)COC[C@@H]2CCN(Cc3cc(F)c(F)cc3F)C[C@@H]21 2037984338 XYODBWSKBUZUQE-BONVTDFDSA-N 328.334 1.783 0 40 EDAB COc1cccc(OC)c1CN1CCO[C@@]2(CCCCN(C)C2=O)C1 2037984377 YURJNPJJBKUOJB-IBGZPJMESA-N 348.443 1.917 0 40 EDAB CC(C)CS(=O)(=O)NC[C@H](c1ccoc1)N1CCSCC1 253397109 FJMZMSNRMNFIHS-CQSZACIVSA-N 332.491 1.945 0 40 EDAB O=C(c1cc[nH]n1)N1CCCn2nnc(CN3CCCCC3)c2C1 1565544769 QQKDKHXCACQUGT-UHFFFAOYSA-N 329.408 1.033 0 40 EDAB Cc1cc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)on1 16848262 FYOWYCBAHHYNKX-UHFFFAOYSA-N 328.303 1.979 0 40 EDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)c2cscn2)CC1 2055772336 ZTUUSSOBYSSTME-UHFFFAOYSA-N 333.417 1.059 0 40 EDAB Cn1ncc2c(N3CC[C@](F)(C(=O)Nc4cccnc4)C3)ncnc21 2086866030 JATAYOUINJHOQL-MRXNPFEDSA-N 341.350 1.315 0 40 EDAB Cn1cccc(C(=O)NC[C@](C)(O)c2cc3ccccc3o2)c1=O 217984926 IPHICOZPTJYSSV-SFHVURJKSA-N 326.352 1.769 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)c1cc(F)ccc1-n1cnnn1)C(=O)OC 36580025 YRNGHVJFVLUYJP-NOZJJQNGSA-N 335.339 1.119 0 40 EDAB O=C(CCN1CCN(C(=O)c2ccco2)CC1)NC1CCCCC1 30146539 LOGNHTIFYFJBSI-UHFFFAOYSA-N 333.432 1.876 0 40 EDAB COC(=O)c1cccc(NC(=O)CSc2nnnn2C2CC2)c1 30341847 NVIOVDPAGYIKIA-UHFFFAOYSA-N 333.373 1.525 0 40 EDAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)NC1CCCC1 31175168 ZDAKXOZRWAVSIK-AWEZNQCLSA-N 340.445 1.328 0 40 EDAB CN(Cc1ccco1)C(=O)Cn1cc(Br)ccc1=O 40464749 REXVAHQMHYZABN-UHFFFAOYSA-N 325.162 1.862 0 40 EDAB COc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 100702317 XCWWLPIJZNLRSR-WQVCFCJDSA-N 333.384 1.610 0 40 EDAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)NC1CCCCC1 574509 XAZCMDCQPPBBER-UHFFFAOYSA-N 338.473 1.940 0 40 EDAB O=c1[nH]c(O)c([C@@H]2NCCc3ccccc32)c(=O)n1Cc1ccccc1 20410502 XRRRUWOMIVBDIT-QGZVFWFLSA-N 349.390 1.526 0 40 EDAB biogenic Cc1ncsc1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 40533974 JTELIEDRAIZMLA-UHFFFAOYSA-N 331.445 1.528 0 40 EDAB CCOc1ncccc1CNC(=O)CS[C@H]1CCS(=O)(=O)C1 40522331 YLOMRHNGZANLIZ-LBPRGKRZSA-N 344.458 1.017 0 40 EDAB C[C@@H](C(=O)NCc1ccc(OC[C@@H]2CCCO2)cc1)S(C)(=O)=O 40540962 YQICLBSQMPFHOM-WFASDCNBSA-N 341.429 1.294 0 40 EDAB O=C(NCCOC(=O)[C@H]1COc2ccccc2O1)c1ccncc1 2675161 XYTKDHWRUMELBX-OAHLLOKOSA-N 328.324 1.195 0 40 EDAB COc1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cn1 29108463 GLHGJSRAWKBKNK-CQSZACIVSA-N 339.355 1.149 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 29193448 VNMHWWBQCUGQMU-SNVBAGLBSA-N 334.800 1.633 0 40 EDAB Cc1cccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)n1 29437808 KHVBNDSPTMTSBH-CQSZACIVSA-N 341.346 1.588 0 40 EDAB CNC(=O)[C@@H](NC(=O)Cn1nccc1-c1ccncc1)c1ccccc1 83881783 WNOPSNWFKOOVLH-SFHVURJKSA-N 349.394 1.549 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 32689976 VVGGQTHRBOBXJE-HNNXBMFYSA-N 325.368 1.546 0 40 EDAB Cc1csc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)n1 21483169 RNYYISVXYIBKBC-UHFFFAOYSA-N 325.415 1.753 0 40 EDAB COCCn1nc(C)c(CNC(=O)Cc2ccn(C(C)C)n2)c1C 71916702 UVEZIWITKOYZNM-UHFFFAOYSA-N 333.436 1.783 0 40 EDAB CCCNC(=O)[C@H](C)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 52659644 USXMDRNVJLGPCI-HNNXBMFYSA-N 347.459 1.490 0 40 EDAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)NC(=O)[C@H]32)cc1 102706282 IXXCHZGVZACCTI-LPEHRKFASA-N 348.405 1.324 0 40 EDAB COc1ccccc1OCC(=O)NCC(=O)N1CCc2ccccc21 41428261 LPPWRLRRBRQNQJ-UHFFFAOYSA-N 340.379 1.780 0 40 EDAB O=C1CN(C(=O)C2(c3cccc(Br)c3)CCC2)CCN1 52979846 QZQYGIIVRGINRG-UHFFFAOYSA-N 337.217 1.829 0 40 EDAB Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nn1C 28225079 RFGLVMYRROMSNY-UHFFFAOYSA-N 325.372 1.779 0 40 EDAB Cc1c(C(=O)NCCCN2CCOCC2)cnn1-c1ccccc1F 41893333 GAWGMWWLQVZJGH-UHFFFAOYSA-N 346.406 1.772 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(N2CCNC2=O)c1 53417849 SSXKQXBDGMDRFS-NSHDSACASA-N 342.355 1.566 0 40 EDAB COC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 22617379 SNCZPKXUVPZCFU-HNNXBMFYSA-N 341.367 1.691 0 40 EDAB CN(Cc1ccn(C)c(=O)c1)Cc1ccccc1N1CCOCC1 42112984 XDSIXURXVDACEQ-UHFFFAOYSA-N 327.428 1.854 0 40 EDAB COc1ccccc1OCCN(C)[C@H](C)c1nc(N)nc(N(C)C)n1 53709456 CXGUAKILTHMJEF-GFCCVEGCSA-N 346.435 1.600 0 40 EDAB CCOC(=O)N1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 23751469 GJYDYQJPIYZMNR-GFCCVEGCSA-N 330.388 1.758 0 40 EDAB C[C@H](NC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1cccnc1 106095775 TXFOURFIAZZJIX-BHYGNILZSA-N 348.447 1.179 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCCCC1 56696586 JYZXMFOJDYDUQP-CYBMUJFWSA-N 340.445 1.683 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)o1 24774709 HZCPGGCYIKVGPG-UHFFFAOYSA-N 338.371 1.526 0 40 EDAB CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@H](C)C(=O)NC(=O)NCC)C1 106169450 DDXYWUPKTKWCET-BFHYXJOUSA-N 340.468 1.237 0 40 EDAB CS(=O)(=O)NCCC(=O)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 106648530 XRFAYNLRYDCHMG-AJNGGQMLSA-N 328.478 1.743 0 40 EDAB CN(CCC(=O)N1CCc2sccc2C1)[C@H]1CCS(=O)(=O)C1 55899241 NGGCZUWISFNRAN-ZDUSSCGKSA-N 342.486 1.142 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)Cc3ccsc3)CC2)no1 26003561 PTJGDNMBNJFWAG-UHFFFAOYSA-N 348.428 1.370 0 40 EDAB Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@H]2CCCO2)cc1 22620776 FGYVKQCHCGZQLP-CYBMUJFWSA-N 332.429 1.837 0 40 EDAB Cn1ccnc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 57593513 WEEJQGPRNVKYTR-UHFFFAOYSA-N 334.445 1.068 0 40 EDAB CCc1ccc(C(=O)N2CCC[C@H](NS(=O)(=O)CC)C2)s1 58014712 MACOKTZVTIZTGN-NSHDSACASA-N 330.475 1.854 0 40 EDAB Cc1ccnc2nc(C(=O)NCCc3ccc4c(c3)OCCO4)nn12 10026442 MTQWIJRPOGTTDX-UHFFFAOYSA-N 339.355 1.176 0 40 EDAB C[C@@H](Nc1cccc(F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3337509 DZXIWCUSUAMRRL-SNVBAGLBSA-N 337.376 1.912 0 40 EDAB O=C1CN(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 36077567 UKJDENHNRUPGET-DLBZAZTESA-N 342.420 1.705 0 40 EDAB O=C(NCCCn1ccnc1)N1CCN(c2ccccc2O)CC1 44891154 PDTRARYGRFPXRF-UHFFFAOYSA-N 329.404 1.511 0 40 EDAB C[C@H]1CCCCN1C(=O)CS(=O)(=O)c1ccc2c(c1)OCCO2 44947981 LTGGITPOLJEMDK-LBPRGKRZSA-N 339.413 1.633 0 40 EDAB CN(CCCNC(=O)N1CCC[C@@H]1c1ccncc1)S(C)(=O)=O 44971058 SOFOBKZGSSAKJC-CQSZACIVSA-N 340.449 1.210 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@H]1CCCc2c1cnn2C 58412696 JMIQREBRPBVBMI-INIZCTEOSA-N 344.463 1.466 0 40 EDAB CCOC(=O)/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1 10648515 ZMMMVRDMCJNRRQ-IIANPFDCSA-N 334.372 1.742 0 40 EDAB O=C(COc1ccc2c(=O)n3c(nc2c1)CCC3)Nc1nncs1 36358219 QRIMIWQCUXRPLV-UHFFFAOYSA-N 343.368 1.212 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)NCc1ccnc(-n2cccn2)c1 48263721 RWCBUKDJXBAJPI-HNNXBMFYSA-N 329.404 1.835 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 48342643 NOXDDPKRBGKNKR-QMMMGPOBSA-N 348.428 1.524 0 40 EDAB O=C(CNC(=O)c1cc(Cl)ccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 12882199 OQSIRBFMULETOL-UHFFFAOYSA-N 345.746 1.273 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)NCc1ccc(Cl)cc1Cl 8275883 OEUUANLZDKZJDJ-UHFFFAOYSA-N 328.155 1.160 0 40 EDAB O=C(CN1CCC(O)CC1)Nc1ccccc1C(=O)NC1CCCC1 69245593 LZNBSSHLKFIRQO-UHFFFAOYSA-N 345.443 1.754 0 40 EDAB CCN(CC(=O)NCC(F)(F)F)C[C@H]1COc2ccccc2O1 12909973 MALDHCBUYLVVLB-NSHDSACASA-N 332.322 1.827 0 40 EDAB CN(C(=O)Cc1ccn(-c2ccc(F)cc2)n1)C1CCS(=O)CC1 81833812 CDDCPRVNANVYFY-UHFFFAOYSA-N 349.431 1.923 0 40 EDAB COc1ccc(C(C)=O)cc1CC(=O)NCCC(=O)N1CCCC1 13020110 DZNSKIWEENDETA-UHFFFAOYSA-N 332.400 1.569 0 40 EDAB CN1N=C(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)CCC1=O 69382526 QTAOULLIZJRHGO-UHFFFAOYSA-N 338.371 1.896 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1 13317346 DHUAYKHXNXWOQI-UHFFFAOYSA-N 334.353 1.545 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCO[C@H](Cn2cccn2)C1 69451494 JQHHHTZHYQHGBQ-WBVHZDCISA-N 340.427 1.562 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)NCc2ncc(-c3ccccc3)[nH]2)C1 69456054 XGMKTPAPNAIBNX-OAHLLOKOSA-N 326.400 1.951 0 40 EDAB Cc1c([C@@H](C)NC(=O)C2=NN(C)C(=O)CC2)cnn1-c1ccccc1 69457038 XRGWZYZOXPAZDE-GFCCVEGCSA-N 339.399 1.966 0 40 EDAB CCOC(=O)c1c[nH]c2c(C)c(C)ccc2c1=NCCOCCO 6077538 PEAVPJIFFDRZBA-UHFFFAOYSA-N 332.400 1.871 0 40 EDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCCCC1 13732399 LUCWSLUWURQYRA-UHFFFAOYSA-N 327.384 1.734 0 40 EDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCCc2ccccc2)C1 69516874 JEFLQCSODCZUMC-WBVHZDCISA-N 347.459 1.802 0 40 EDAB c1csc([C@@H](CNC[C@@H]2CNc3ccnn3C2)N2CCOCC2)c1 65474795 QWMJPATZEUNMEL-HUUCEWRRSA-N 347.488 1.649 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccon3)C2=O)cc1 14076455 UCCBMLYINSWZRK-MRXNPFEDSA-N 328.328 1.389 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)N1CCCC1 65590102 ZYNANVIIOQVZDX-LBPRGKRZSA-N 346.474 1.424 0 40 EDAB CN(C(=O)NCc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 65563129 JLEUVRAJZNWHHV-HNNXBMFYSA-N 348.428 1.201 0 40 EDAB COc1ccc(OC)c([C@@H](O)CN2CCN(c3cnccn3)CC2)c1 65522669 XAKIVYXKZQJFDE-INIZCTEOSA-N 344.415 1.349 0 40 EDAB COc1cccc(CNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1 5491808 KFSMNDYLVCFITP-UHFFFAOYSA-N 337.383 1.974 0 40 EDAB O=S1(=O)CC[C@H](NS(=O)(=O)C2=Cc3ccccc3CC2)C1 14229770 WIDWBPLDXXBMSB-ZDUSSCGKSA-N 327.427 1.080 0 40 EDAB COc1ccc([C@H](NC(=O)CNC[C@H]2CN(C)CCO2)C(C)C)cc1 69652976 WZYPWLCEOKXSOQ-PKOBYXMFSA-N 349.475 1.429 0 40 EDAB COC(=O)c1cc(C(=O)N2CCOCC2(C)C)n(-c2ccccc2)n1 69601998 WPIQVAMWTHKOCU-UHFFFAOYSA-N 343.383 1.910 0 40 EDAB CCOCCN1CCN([C@H](C)C(=O)Nc2c(C)nn(C)c2C)CC1 69658618 DRAXMYTYDATAPZ-OAHLLOKOSA-N 337.468 1.018 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1 69700921 HTDZLUJRCDXNNW-OAHLLOKOSA-N 337.370 1.519 0 40 EDAB CC(C)n1c(SCCN2C(=O)NC(C)(C)C2=O)nnc1N(C)C 69744550 CAZNTWVXPWVINQ-UHFFFAOYSA-N 340.453 1.348 0 40 EDAB Cc1ccc(CN(C)C(=O)Cc2c(C)nc3[nH]n(C)c(=O)c3c2C)o1 69739093 DZOKFDDOOHECPX-UHFFFAOYSA-N 342.399 1.981 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)NCCO[C@@H]2CCCC[C@H]2C)CCO1 69705860 SMPPFZBBCCYISM-MCIONIFRSA-N 328.409 1.165 0 40 EDAB CCOCCN1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 69743770 WUOYUGIOGGHATJ-UHFFFAOYSA-N 336.461 1.219 0 40 EDAB Cc1nn2cccnc2c1C(=O)NC[C@@]1(O)CCCc2ccccc21 66929925 ZREHJGORNBTCFD-IBGZPJMESA-N 336.395 1.992 0 40 EDAB Cc1nnc(O)c(C(=O)NC[C@@]2(O)CCCc3ccccc32)c1C 66931141 AAXYUWIUWICAPV-SFHVURJKSA-N 327.384 1.753 0 40 EDAB CCCN(CCc1ccccn1)C(=O)NCc1nnc2n1CCC2 69808827 NZTYUJLFNSAPDJ-UHFFFAOYSA-N 328.420 1.784 0 40 EDAB C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCO[C@H](CN(C)C)C1 69807888 ITOLNZMLSSIULV-RHSMWYFYSA-N 337.439 1.135 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCN1CCOC 69842595 ZUBXEQWDMLEPMK-CQSZACIVSA-N 340.855 1.716 0 40 EDAB Cc1ccc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1C 69811035 XGGPTABYLMMFOQ-UHFFFAOYSA-N 343.471 1.978 0 40 EDAB c1nc2n(n1)C[C@@H](NCc1nc(-c3ccc4c(c3)OCO4)no1)CC2 69870964 ZGNBPZGTORKGDK-NSHDSACASA-N 340.343 1.161 0 40 EDAB CN(C)C1(CNC(=O)Nc2cccnc2N2CCCC2)CCOCC1 69971979 OOVZXCKNEYFNIV-UHFFFAOYSA-N 347.463 1.914 0 40 EDAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 7475051 KLIVSLLVMIVQNL-KRWDZBQOSA-N 331.372 1.663 0 40 EDAB C[C@@H]1CCc2c(sc3ncnc(N4CCN(CCO)CC4)c23)C1 19792107 LCKSTZCLTMLFGT-GFCCVEGCSA-N 332.473 1.930 0 40 EDAB O=C(Cc1ccccc1)NCC(=O)N(CCCO)Cc1ccccc1 89828183 ZCQKWTRJEBLXAN-UHFFFAOYSA-N 340.423 1.757 0 40 EDAB CC[C@@H](CO)NC(=O)Nc1cccc(NC(=O)OCCOC)c1 71826635 RQLNNSUYTZGLLN-NSHDSACASA-N 325.365 1.774 0 40 EDAB CSc1nc(C(=O)Nc2c(C(N)=O)n[nH]c2C)c2ccccn12 71888288 KDVZNWNDSGQHJO-UHFFFAOYSA-N 330.373 1.439 0 40 EDAB NC(=O)CSCC(=O)NCc1ccc(Br)c(F)c1 71844030 HPOJWUPNBQISNC-UHFFFAOYSA-N 335.198 1.423 0 40 EDAB O=C(CCn1cnc2ccccc21)N1CCC(N2CCNC2=O)CC1 71821356 HOBIABNEEZLXCC-UHFFFAOYSA-N 341.415 1.443 0 40 EDAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H](N2CCNC2=O)C1 71830597 RATYHPTXDADYCZ-LBPRGKRZSA-N 340.383 1.158 0 40 EDAB CS(=O)(=O)NCCOC(=O)c1sccc1Br 71886043 HMXUTVWFUJRKGG-UHFFFAOYSA-N 328.209 1.217 0 40 EDAB CN1CCN(c2ccccc2CNC(=O)N2CCSCC2)CC1 71803483 RQPUFYJKYOWNLN-UHFFFAOYSA-N 334.489 1.697 0 40 EDAB C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CCC(=O)NC(N)=O 71897373 DEVNSURYLOBNKC-MFKMUULPSA-N 325.796 1.687 0 40 EDAB COc1cccc(COCC(=O)N2CCc3nnc(N)cc3C2)c1 72279487 CALYBABZYDCOSE-UHFFFAOYSA-N 328.372 1.169 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCN(Cc2cncs2)CC1 97032529 UUURCZMXFRDPDI-UHFFFAOYSA-N 341.433 1.789 0 40 EDAB O=C(NC[C@@H](Cc1ccccc1)C(=O)O)c1[nH]nc2c1CCCC2 97018655 ZRQVMYCRLAIIPR-CYBMUJFWSA-N 327.384 1.962 0 40 EDAB Cc1ccc(Cn2cccc(NC(=O)NCCN(C)C)c2=O)cc1 97052295 CVGXCFDQWZMLIT-UHFFFAOYSA-N 328.416 1.888 0 40 EDAB Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)NCC2CC2)s1 84205626 BZBRQEKWMLEKHA-NSHDSACASA-N 346.499 1.646 0 40 EDAB O=C(COC(=O)[C@H]1CSCN1C(=O)C1CC1)c1ccc(F)cc1 97124460 YZRWOGBUTXYWDV-CYBMUJFWSA-N 337.372 1.863 0 40 EDAB C[C@@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)C[C@@H]1N1CCOCC1 76051255 MOBVLEWPNVZRPM-AYOQOUSVSA-N 344.455 1.870 0 40 EDAB Cc1cccc2c(CCC(=O)NS(=O)(=O)c3cnn(C)c3)c[nH]c12 76089984 MMKQZNSXCSAQIV-UHFFFAOYSA-N 346.412 1.648 0 40 EDAB O=c1[nH]c(=O)n(C[C@@H](O)COCc2ccc(Cl)cc2)cc1Cl 72914809 ZDHMXULQDIQMPE-LLVKDONJSA-N 345.182 1.421 0 40 EDAB NC(=O)C[C@@H](NCc1cnn(Cc2ccccc2)c1)C1CCOCC1 95452891 UXHAASPDYGQKOB-GOSISDBHSA-N 342.443 1.692 0 40 EDAB Cc1ccc(-c2ocnc2C(=O)Nc2cnn(CC(N)=O)c2)cc1 95401607 BYORPDNYBKIGLX-UHFFFAOYSA-N 325.328 1.584 0 40 EDAB COC(=O)[C@@H](O)CNC(=O)c1cn(-c2ccc(Cl)cc2)nc1C 95452985 XUHMFIPFYTUJIN-ZDUSSCGKSA-N 337.763 1.098 0 40 EDAB C[C@H]1C[C@@H](OC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)O1 95955871 JGHHBEQVRXWLDJ-WHANRRFUSA-N 349.427 1.956 0 40 EDAB Cc1cc(CN2CCN(CC(=O)Nc3ccnn3C(C)C)CC2)on1 95946904 HVUMELKPKTVDJH-UHFFFAOYSA-N 346.435 1.517 0 40 EDAB CNS(=O)(=O)c1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 95987829 CXGHVNVGYJDIBJ-OAGGEKHMSA-N 336.457 1.642 0 40 EDAB Cn1cc([C@@H](O)CNC(=O)N[C@@H](Cc2ccccc2)C2CC2)cn1 78942361 XMWLONVLNBILIQ-IRXDYDNUSA-N 328.416 1.774 0 40 EDAB CCOC(=O)C1=C(Cn2ccc(=O)c3sccc32)NC(=O)N[C@H]1C 78987317 XVVFXNRQKXHADW-VIFPVBQESA-N 347.396 1.582 0 40 EDAB O=C(NCc1ccc(N2CCCC2)nc1)NC[C@H]1CCN(C2CC2)C1 79182174 QDYWGSVNSMZYQK-MRXNPFEDSA-N 343.475 1.965 0 40 EDAB CN1CCN(C2CCN(Cc3cc(=O)n4ccccc4n3)CC2)C1=O 75131463 QDLNPEYHGCYKMC-UHFFFAOYSA-N 341.415 1.026 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@H]1C2 306135104 OHZIIQMCPVAGPQ-OLZOCXBDSA-N 329.404 1.314 0 40 EDAB CC(C)CNC(=O)c1nsc(C(=O)NCc2cccnc2)c1N 67334965 HFTYPBDQTLVFHP-UHFFFAOYSA-N 333.417 1.436 0 40 EDAB O=C(CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1)NC1CC1 22926724 CFEYZCDDLFOFKA-UHFFFAOYSA-N 339.443 1.269 0 40 EDAB CCn1nccc1CN1CC[C@@](NC(C)=O)(c2nc(C)cs2)C1 547690724 ACFCFMPSEDUGJP-INIZCTEOSA-N 333.461 1.905 0 40 EDAB COc1nc(C)ccc1C(=O)NCc1cccc(N2CCOCC2)n1 548501547 PHDBRMVPZSLRAC-UHFFFAOYSA-N 342.399 1.560 0 40 EDAB COCC1(S(=O)(=O)N2CC[C@H](c3ccccc3)[C@@H]2C(=O)O)CC1 515174199 WOTHXWVALVRMMZ-ZIAGYGMSSA-N 339.413 1.438 0 40 EDAB O=C(CCn1cnnn1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 524732824 QKEBRRWLZDGGRZ-UHFFFAOYSA-N 330.779 1.783 0 40 EDAB N[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218489062 KWSKWCXUZRABRJ-HRCADAONSA-N 337.828 1.970 0 40 EDAB CN(C)CCCN[C@@H](CC(=O)Nc1ccccc1Cl)C(=O)O 56964108 KIACBHKBIVYLNB-ZDUSSCGKSA-N 327.812 1.663 0 40 EDAB Cc1cc(C)n([C@@H](C)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)n1 78987050 CVMDIUUMFCLGBQ-QWRGUYRKSA-N 332.326 1.340 0 40 EDAB Cc1ccc(NC(=O)c2cnc3ccccn23)cc1N1C(=O)CNC1=O 558720781 OVFVQAUNIYGQQR-UHFFFAOYSA-N 349.350 1.951 0 40 EDAB CN(C)c1ncc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 218761866 YEFZXFFPRLGQRF-INIZCTEOSA-N 339.399 1.809 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC(Oc2nncs2)CC1 675008211 ISDAMXJAYSPZSP-UHFFFAOYSA-N 333.369 1.950 0 40 EDAB O=C(NCC[C@H]1CCN(C(=O)c2ccns2)C1)c1ccns1 1059751036 TUQPDSPRWDSFLI-JTQLQIEISA-N 336.442 1.882 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1C 40287130 RERYHNHFJIBFRI-NJZAAPMLSA-N 328.434 1.996 0 40 EDAB CCC(=O)N1CCN(S(=O)(=O)c2cc(F)c(C)c(C(=O)O)c2)C1 569247675 CWYPPFYGKZHFST-UHFFFAOYSA-N 344.364 1.033 0 40 EDAB CCOc1ccccc1CCC(=O)N1CC[C@@H](N2C(=O)COC2=O)C1 225701069 OREYSXCYYAKZGR-CQSZACIVSA-N 346.383 1.598 0 40 EDAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)COc1ccc(Cl)cc1)CC2 225789146 RHBHZAUZAXZOMM-ZDUSSCGKSA-N 347.802 1.486 0 40 EDAB COc1ccccc1CCC(=O)N1CCCN(S(C)(=O)=O)CC1 45320008 KUAPLZCNHPDMLR-UHFFFAOYSA-N 340.445 1.122 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1 223302023 MKBSLNJFYJIJII-UHFFFAOYSA-N 338.385 1.225 0 40 EDAB CC(C)[C@H](C)NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225198439 CCTPYHHTDMZJQN-NSHDSACASA-N 342.417 1.342 0 40 EDAB O=C(O)COc1ccc(NC(=O)[C@@H]2CCCS2(=O)=O)cc1Cl 572985875 UABZJFLBIVGAID-NSHDSACASA-N 347.776 1.319 0 40 EDAB CC(=O)N1CC[C@H](CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 195572193 SAXLHLABWRHJEA-DZGCQCFKSA-N 338.473 1.951 0 40 EDAB Cn1ncc2c1[C@@H](COCC1CC1)N(C(=O)c1ccccn1)CC2 96197799 KYNYRQQRRCQBRT-MRXNPFEDSA-N 326.400 1.981 0 40 EDAB CCOC(=O)[C@H](N)CS[Sn](C)(C)Cl 195752235 NXHPXLRXSGCGLY-KWRROICRSA-L 332.441 1.551 0 40 EDAB CO[C@@H]1CCN(C(=O)c2cccn2C)[C@@H]2CN(Cc3ccco3)C[C@@H]21 96220090 LHJCVFXOSMBFFB-CGTJXYLNSA-N 343.427 1.980 0 40 EDAB C[C@H](C(=O)NCCS(N)(=O)=O)c1ccc(Cl)c(Cl)c1 96445782 YCOHPJQHERQCDS-ZETCQYMHSA-N 325.217 1.502 0 40 EDAB c1ccc(CN2CCC[C@]3(COCCN(c4cnccn4)C3)C2)nc1 96049640 RYGMTSDAGPYEOW-IBGZPJMESA-N 339.443 1.991 0 40 EDAB COC[C@@H](C)NC(=O)CCc1nc(-c2ccc(OC)c(OC)c2)no1 143531460 JPMGIEWWHQEJJV-LLVKDONJSA-N 349.387 1.838 0 40 EDAB Cc1cc(C)cc(C[C@H](C)NC(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 96437690 FYMVVWXGLKULKU-GJZGRUSLSA-N 338.473 1.968 0 40 EDAB Cc1ccc(N2C[C@H]3OCC[C@H]3[C@H](C(=O)NC3CCCC3)C2)nn1 96038884 FOIMUOVBRNTBBW-ARFHVFGLSA-N 330.432 1.685 0 40 EDAB CO[C@@H]1COC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 97953291 XHOWPEDWENSTOW-ZDUSSCGKSA-N 329.393 1.784 0 40 EDAB Cc1noc([C@H]2C[C@H]3CN(S(=O)(=O)c4ccccc4C)C[C@H]3O2)n1 96043543 NJISEUOOFOELTA-BFHYXJOUSA-N 349.412 1.837 0 40 EDAB Cc1cnc(CNC(=O)[C@@H]2C[C@H]3[C@H](CCN3CC3CCCC3)O2)cn1 96186597 LRMYSTCHOBKCBP-BZSNNMDCSA-N 344.459 1.823 0 40 EDAB Cc1noc(C)c1CCCNC(=O)NC[C@@H](C)N1CCOC[C@@H]1C 96461016 ATNOBHLFFXZCLS-OLZOCXBDSA-N 338.452 1.632 0 40 EDAB CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(Cc3ccc(F)cc3)C[C@H]12 96064343 UAKUXTHXUUKVSH-BHYGNILZSA-N 335.423 1.934 0 40 EDAB Cn1nccc1C(=O)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96219285 SSCXTFGSFQGKKT-BJJXKVORSA-N 328.372 1.266 0 40 EDAB CN(C)C(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 96049264 MKUWCHVTUMFWPD-SJCJKPOMSA-N 331.372 1.747 0 40 EDAB O=C(Nc1cccnc1)[C@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21 97953536 VUJVQSOBBSMSLU-NXHRZFHOSA-N 338.411 1.810 0 40 EDAB Cc1cnc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2cccnc2)cn1 96041687 XITZLVOPLIUFIJ-GVDBMIGSSA-N 340.383 1.631 0 40 EDAB CC1=NC(=O)[C@]2(CC[C@@H]3CN(C(=O)NCc4ccccc4C)C[C@@H]32)N1 96261392 ZZOCWXLIWMGWDW-JTDSTZFVSA-N 340.427 1.833 0 40 EDAB O=C(CNc1cc(F)c(F)cc1F)N1CCC2(CC1)OCCO2 96500471 RJGZWNIFUVNGCP-UHFFFAOYSA-N 330.306 1.881 0 40 EDAB CN1CCO[C@@H](CNC(=O)C2CCC(O)CC2)[C@@H]1c1ccccc1 583620942 LDKLKALFNDKQKY-FOIPXRHGSA-N 332.444 1.726 0 40 EDAB COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cnn(-c2ccc(F)cc2)n1 583618825 PQTQILVASSXRCU-UONOGXRCSA-N 334.351 1.282 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)Cc2ccc(F)cc2F)[C@@H]1c1cccnc1 583619584 XJZZZTBAZBHURO-QAPCUYQASA-N 345.349 1.991 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)c2csc(Cc3ccccc3F)n2)C1 96410119 JDKMNZQNIXLVMR-NSHDSACASA-N 333.388 1.820 0 40 EDAB CCc1nc(C(=O)NCCN2CCN(C(=O)C3CCCC3)CC2)c[nH]1 96452096 XPRYEJUAWPXGFA-UHFFFAOYSA-N 347.463 1.036 0 40 EDAB O=S1(=O)CC[C@H](COCc2cccnc2)C12CN(C1CCC1)C2 247305153 GPVOSMTVDZETGO-OAHLLOKOSA-N 336.457 1.640 0 40 EDAB CS(=O)(=O)NC[C@H]1CN(CC2CCCCC2)Cc2cncn21 247493680 CJGCYZMOADSPGC-HNNXBMFYSA-N 326.466 1.369 0 40 EDAB Nc1nccnc1[C@H]1CN(S(=O)(=O)C2CCCCC2)CCO1 257223487 DXOCIFLQLFKHQW-GFCCVEGCSA-N 326.422 1.095 0 40 EDAB Cc1nn(C)cc1C(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 257336239 YNQHQDVVJSCEBV-QGZVFWFLSA-N 329.404 1.864 0 40 EDAB C[C@@H]1CN(c2cccc(Cl)c2)CCN1c1nccn2nnnc12 585092312 OPHNFXLAYNZWDS-LLVKDONJSA-N 329.795 1.888 0 40 EDAB COC(=O)c1cnn(C)c1NC(=O)N[C@H](CCCO)c1ccccc1 585086463 HXEDVYWNXXAIKW-CQSZACIVSA-N 346.387 1.842 0 40 EDAB Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CCN(C(N)=O)C1 585115246 SKKDIBNTKIFZRE-SNVBAGLBSA-N 331.825 1.327 0 40 EDAB CC(=O)N1CCC(c2nccnc2CNC(=O)[C@H]2CCCOC2)CC1 257326781 WYOFHYPUHHRPHI-HNNXBMFYSA-N 346.431 1.245 0 40 EDAB O=C([C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N1CCCSCC1 585122014 KKBSRFSEDVUPBL-GXTWGEPZSA-N 349.374 1.763 0 40 EDAB Cc1c(CN2CCCC[C@H]2c2[nH]ncc2S(C)(=O)=O)cnn1C 257303885 SJDVCEJYESCHQL-ZDUSSCGKSA-N 337.449 1.582 0 40 EDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccnn2C(C)C)c1 257288935 PWHSTRIRFOTDRL-SFHVURJKSA-N 341.459 1.970 0 40 EDAB CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1cscn1 257310356 UETCVSOFBUIKOB-HNNXBMFYSA-N 331.401 1.153 0 40 EDAB Cc1ccc2nc(C(=O)N(C)[C@@H]3CC[C@@H](N4CCCC4)[C@@H]3O)cn2c1 257285059 PFLFMZZPDMLVEK-JFIYKMOQSA-N 342.443 1.702 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(Cc2ccc(C(F)(F)F)cc2)C1 257261505 LHQLLUYNTCBIOL-CYBMUJFWSA-N 329.366 1.815 0 40 EDAB CCOC[C@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@H]1S(C)(=O)=O 252514804 DYGAXBMARXIJLH-GUTXKFCHSA-N 327.471 1.814 0 40 EDAB CC(=O)N1CCCC[C@@H]2[C@H]1CCCN2C(=O)COc1cccnc1 257340050 ZEGSOTLRRHWGDI-IAGOWNOFSA-N 331.416 1.852 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cncs3)C2)ncn1 257311947 ULSQUDVCXUZWFE-OAHLLOKOSA-N 333.417 1.003 0 40 EDAB CCn1nccc1-c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1 257238058 HJJNGBMMNUNGEY-UHFFFAOYSA-N 335.433 1.499 0 40 EDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NC[C@H]2CCCO2)cn1 257257771 KQZNGORNNFJPCL-OAHLLOKOSA-N 342.399 1.417 0 40 EDAB Cc1c(F)cccc1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)O)C1 263219551 OSSZYYKNCXQBHS-LBPRGKRZSA-N 336.363 1.529 0 40 EDAB O=C([C@@H]1Cc2c(O)cccc2N1)N1CCN(c2ccccc2O)CC1 1616040669 BFUNDZZLNKGCIU-HNNXBMFYSA-N 339.395 1.783 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2CCC[C@@](O)(C3CC3)C2)c1 595752168 SXBWWZBTHOQAAU-SFHVURJKSA-N 332.400 1.649 0 40 EDAB COc1ccc(CCN2C(=O)[C@@H](CCC(=O)O)N=C2O)cc1OC 36579837 CMBABQKQBSQPGS-LLVKDONJSA-N 336.344 1.236 0 40 EDAB biogenic COC1(OC)CC[C@@H]1NC[C@@H]1C[C@H](F)CN1Cc1nccn1C 1615055956 FZYLIHQLWCIQPO-IHRRRGAJSA-N 326.416 1.074 0 40 EDAB O=C(CN1C(=O)CCC1=O)NCc1cc(C2CC2)n(C2CCCC2)n1 96104069 KLELCZZLJVQNBL-UHFFFAOYSA-N 344.415 1.641 0 40 EDAB Cc1cncc(C(=O)N2CCn3cc(C(=O)NC(C)C)nc3[C@H]2C)c1 585096426 NCYQGCXTXOCXKX-CYBMUJFWSA-N 341.415 1.942 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)Cc2ccccn2)CCO1 585276758 IMJXUEKDIYOSHO-FQEVSTJZSA-N 340.423 1.765 0 40 EDAB O=C(NC1CC1)c1cnn2c1CN(C(=O)c1ccsc1)CCC2 585110868 ROEVPAJNUYOSJC-UHFFFAOYSA-N 330.413 1.883 0 40 EDAB CC[C@H](C)N(C)CCNC(=O)c1ccc(OCC(N)=O)c(OC)c1 66136823 UKCFWHXTTZUYNB-LBPRGKRZSA-N 337.420 1.019 0 40 EDAB Cc1c(I)n[nH]c1I 167924605 QBKNVRZWDWFLDP-UHFFFAOYSA-N 333.898 1.927 0 40 EDAB O=C([C@H]1CCCN1Cc1nc(-c2ccco2)no1)N1CCSCC1 65475425 AABWSGMIRAJLRS-GFCCVEGCSA-N 348.428 1.869 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 95417390 GYVJMJDRKUTCCE-ZIAGYGMSSA-N 344.333 1.866 0 40 EDAB N[C@H]1C[C@@H](NC(=O)c2nn3c(c2Br)CCC3)C12CCC2 1615555459 UAGSFSHUFPXCEG-VHSXEESVSA-N 339.237 1.592 0 40 EDAB O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NC1CCCCC1 1548925269 BORGMVFDFPRNSJ-IPMKNSEASA-N 342.443 1.996 0 40 EDAB O=C(NCc1ccccc1F)C(=O)Nc1ccc2c(c1)OCCO2 5251007 DMRYBDFQQFPSHT-UHFFFAOYSA-N 330.315 1.852 0 40 EDAB O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)[C@@H]1CCCO1 12326026 LSLCBRCQGDJKEL-INIZCTEOSA-N 336.407 1.404 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 78780272 PYJAOXGLHVFQEV-UHFFFAOYSA-N 348.359 1.482 0 40 EDAB COc1ncc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ccc(C)cn3)C2)cn1 19216039 MQJIAQIDHNYIRN-FCEWJHQRSA-N 340.427 1.918 0 40 EDAB Cc1nccn1CC1(O)CCN(C(=O)Cc2cccc(F)c2)CC1 19287879 XSVDOHBHERBZLY-UHFFFAOYSA-N 331.391 1.927 0 40 EDAB O=C(C1CC1)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19406843 XHAAGFMNHUYPCX-SDDRHHMPSA-N 325.363 1.917 0 40 EDAB CCC(=O)OCCN(CCOC(=O)CC)C(=O)[C@H](C)OC(=O)CC 5497922 NGHJNZBRCDNCOW-LBPRGKRZSA-N 345.392 1.063 0 40 EDAB Cc1nc(C(=O)NCCn2nc(C(F)(F)F)ccc2=O)cs1 1888844333 HTOWKOWSOOVYBI-UHFFFAOYSA-N 332.307 1.457 0 40 EDAB O=c1n(Cc2cccc(Cl)c2)nc2c(-n3ccnc3)nccn12 1888921713 AGKFSCXLOKTWSJ-UHFFFAOYSA-N 326.747 1.778 0 40 EDAB Nc1nc(N)c2c(n1)OC1(CCN(Cc3ncccc3F)CC1)C2 1848356356 NLTLRGLTOZSGPN-UHFFFAOYSA-N 330.367 1.145 0 40 EDAB O=c1n(CN2CCN(Cc3cccs3)CC2)nc2ccccn12 28706529 WCKIJWDMFZBUKS-UHFFFAOYSA-N 329.429 1.333 0 40 EDAB COc1ccc(S(=O)(=O)NC2CCNCC2)cc1Br 36286275 CCDNMBMUFITJNR-UHFFFAOYSA-N 349.250 1.488 0 40 EDAB O=C(c1cncnc1)N1CC[C@H]2C[C@@]21C(=O)Nc1cccc(F)c1 2056224886 DCQCAPGYRZMPGX-SJCJKPOMSA-N 326.331 1.859 0 40 EDAB CCOC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1 110394 GQQHJBGEVBNKAC-UHFFFAOYSA-N 349.395 1.174 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCCO3)cc1 8961788 OODZQSAAGLMKPX-UHFFFAOYSA-N 348.380 1.618 0 40 EDAB COc1ccc(OC)c(Nc2ccnc3c2c(=O)n(C)c(=O)n3C)c1 12227526 GGXZDCBICDSWJD-UHFFFAOYSA-N 342.355 1.393 0 40 EDAB CN1C[C@H]2CN(C(=O)c3ncn(C)n3)CC[C@@]2(c2ccccc2)C1 2055750618 KCQSPYSJDLZPRP-YJBOKZPZSA-N 325.416 1.161 0 40 EDAB CCCCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055718021 VZZVKIGCYPEGGS-ZDUSSCGKSA-N 332.448 1.986 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@@H](O)c2ccc(-c3ccco3)o2)no1 1775965780 KRYWLEVJORYDPC-SNVBAGLBSA-N 345.311 1.624 0 40 EDAB CSc1nccc(N2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086889382 QBVZIIHGNGDKRP-NSHDSACASA-N 342.490 1.591 0 40 EDAB O=S(=O)(N1CCCC1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575607081 ACRBTIRVKQLVIB-LBPRGKRZSA-N 346.840 1.314 0 40 EDAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccoc1 585147673 QOEQMHVPLYBSGQ-UHFFFAOYSA-N 347.396 1.743 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)NCc1cccs1)Cc1ccsc1 618254923 HPGUPYHQOXIDPV-HNNXBMFYSA-N 338.454 1.536 0 40 EDAB Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2cc(C(N)=O)[nH]n2)s1 225554652 HKFNQSOYEFHTNS-GFCCVEGCSA-N 333.417 1.949 0 40 EDAB COC(=O)C[C@@H](c1cccnc1)c1c(O)nc2cc(C)ccn2c1=O 96115958 DZQWHVLYHLDPMF-ZDUSSCGKSA-N 339.351 1.799 0 40 EDAB biogenic CCOc1ccccc1OCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 40456875 QLNNJVVDXMGOMM-HNNXBMFYSA-N 327.402 1.158 0 40 EDAB CCCn1c(CCC(=O)N(C)C)nc2cc(S(N)(=O)=O)ccc21 40473698 NZHZTPNGNYZKPL-UHFFFAOYSA-N 338.433 1.115 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCC(=O)N1CCC(C(=O)Nc2ccncc2)CC1 31374664 VHKJRNQJXHVUTC-WFASDCNBSA-N 344.415 1.031 0 40 EDAB O=C(Cn1ccccc1=O)NCc1ccc(Br)s1 45456679 FQPKZOSPUYSXKE-UHFFFAOYSA-N 327.203 1.989 0 40 EDAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 2429166 ZVKIQMLVOPYBRU-PDOICOKGSA-N 341.407 1.964 0 40 EDAB CN(C)S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 20405029 HWEAXIDNRZIBRQ-UHFFFAOYSA-N 338.355 1.029 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccnc(N3CCOCC3)c2)C[C@H](C)O1 40511857 OALSLKJFAOVJAA-KBPBESRZSA-N 334.420 1.237 0 40 EDAB CCc1c(C(=O)N2CCC(C(=O)NC)CC2)cnn1-c1ccccn1 31820077 NBUZTRJYQINHRZ-UHFFFAOYSA-N 341.415 1.428 0 40 EDAB NS(=O)(=O)c1ccc(CCNc2ncnc3sccc23)cc1 2635968 GUNWDSJRUUOCKM-UHFFFAOYSA-N 334.426 1.993 0 40 EDAB COc1cc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)cc(OC)c1 32106050 QIHCBJSQBCKNCT-MRXNPFEDSA-N 339.355 1.918 0 40 EDAB O=C(C[C@@H](NC[C@H]1CCCO1)C(=O)O)Nc1cccc(Cl)c1 4280007 QWUVENMKKQCXCW-CHWSQXEVSA-N 326.780 1.890 0 40 EDAB O=S(=O)(NCc1ccccc1Cl)c1ccc(-n2cnnn2)cc1 4881965 DRMPBQWRGIKOOI-UHFFFAOYSA-N 349.803 1.794 0 40 EDAB CCNc1nc(N2CCCCC2)nc(-n2nnc(C(C)=O)c2C)n1 340375 YBBKRCFZZIXSCZ-UHFFFAOYSA-N 330.396 1.385 0 40 EDAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 104850953 GQNPGRIHXHALTO-ADNNSEGNSA-N 345.351 1.027 0 40 EDAB O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 8378987 RTGNSFAFIUJZHC-IHRRRGAJSA-N 335.356 1.395 0 40 EDAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3F)nn12 8394458 KRWNIEPVQVPRGK-JTQLQIEISA-N 343.318 1.756 0 40 EDAB CN(CCNS(C)(=O)=O)C(=O)CCCc1ccc(Cl)cc1 69775259 IVIHRMDLCQKFTK-UHFFFAOYSA-N 332.853 1.670 0 40 EDAB Cc1ccc(-c2nc(CCNC(=O)N3CC[C@H](C(N)=O)C3)co2)cc1 69700840 QJYCZASYQRQBGR-AWEZNQCLSA-N 342.399 1.709 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@H]1CCCc2occc21 103020747 UBLFBNOEEUKHPR-SKRAFVOUSA-N 340.379 1.580 0 40 EDAB CN[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 53202863 HYBANXYQNUJAAL-NSHDSACASA-N 333.251 1.822 0 40 EDAB O=C(Nc1cccnc1)c1ccc(=O)n(CCOc2ccccc2)n1 15826846 WVAOYIPOIVIVGW-UHFFFAOYSA-N 336.351 1.970 0 40 EDAB O=C(NCCc1nc2ccccc2[nH]1)c1ccc(-n2cnnn2)cc1 22368614 HWGIBTIKEPGAAS-UHFFFAOYSA-N 333.355 1.511 0 40 EDAB Cc1nn(C)cc1CN(C)C(=O)Cn1ncc(Br)c1C 2777710 YEIHKANWPVLVAJ-UHFFFAOYSA-N 340.225 1.655 0 40 EDAB CCN(CCNC(=O)N[C@H]1CCCCNC1=O)C(=O)OC(C)(C)C 69770834 HSJSDQTWLMSMEI-LBPRGKRZSA-N 342.440 1.211 0 40 EDAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)c1ccccc1 12252249 LLKUVAQOOVPZNH-HNAYVOBHSA-N 338.363 1.950 0 40 EDAB C[C@@H]1COCCN1C(=O)NCCS(=O)(=O)Cc1ccccc1 47070865 CNSQSPVZPWPPTO-CYBMUJFWSA-N 326.418 1.032 0 40 EDAB CCN(CC)S(=O)(=O)NCc1cc(OC)c(OC)cc1OC 23401658 FYQXTGWUWCFRCY-UHFFFAOYSA-N 332.422 1.389 0 40 EDAB C[C@H](CO)CNC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 54536622 QNOXDRCKBKAFCC-LBPRGKRZSA-N 337.395 1.358 0 40 EDAB CCOc1nncn1-c1sc2c(c1[C@@H]1NC=NN1)CC[C@@H](C)C2 26895450 JRVPASDFIGOFFL-NOZJJQNGSA-N 332.433 1.987 0 40 EDAB O=C(NCc1ccccn1)c1c(O)n2c3c(cccc3c1=O)CCC2 1306988 VCPNQKVPNWWEQE-UHFFFAOYSA-N 335.363 1.978 0 40 EDAB COc1cc(NC(=O)CCn2cncn2)ccc1N1CCCC1=O 25031109 QCGJEACWYNCMFL-UHFFFAOYSA-N 329.360 1.442 0 40 EDAB Cc1nc(N2CCN(C(=O)C3CCCC3)CC2)c2c(n1)c(C)nn2C 28557483 FKHOHARRDNLGAS-UHFFFAOYSA-N 342.447 1.819 0 40 EDAB COC(=O)C1(NC(=O)CCNC(=O)c2ccsc2)CCCCC1 25173837 PJHHEXASHMKPES-UHFFFAOYSA-N 338.429 1.860 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1n[nH]c3ccccc13)C2=O 12559055 LQMLNHOLKWOWHC-UHFFFAOYSA-N 341.371 1.708 0 40 EDAB CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cnn(C)c2)cc1 25308027 QBMIUKZCTYYJLH-UHFFFAOYSA-N 336.417 1.701 0 40 EDAB CNC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1 25593764 SEKYAIRJFWWYNE-UHFFFAOYSA-N 326.381 1.619 0 40 EDAB CC(C)N(Cc1cc2c(s1)CCC2)C(=O)C[C@H]1NC(=O)NC1=O 56464946 AWBOIECEKKXREE-GFCCVEGCSA-N 335.429 1.572 0 40 EDAB CS[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCC(C(N)=O)CC1 56972744 JURKQEOAVCTGMI-NSHDSACASA-N 349.456 1.714 0 40 EDAB CC(C)C(=O)N1CCC(C(=O)Nc2nc(C(F)(F)F)n[nH]2)CC1 26251870 AMORKBNBOVHJKG-UHFFFAOYSA-N 333.314 1.657 0 40 EDAB C[C@@H](CNC(=O)NCCc1ccc2c(c1)OCCO2)N1CCOCC1 47718194 GRLXLYIRXIROEH-AWEZNQCLSA-N 349.431 1.020 0 40 EDAB CCN(C)[C@@H](C(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 57824538 XNUDZLAMFKSIMC-QGZVFWFLSA-N 339.443 1.818 0 40 EDAB COC(=O)c1ccc(F)c(S(=O)(=O)N(C)Cc2cccnc2)c1 58054254 FUZNWJNADBGHSV-UHFFFAOYSA-N 338.360 1.828 0 40 EDAB CS(=O)(=O)c1ccc(-n2nnnc2CSc2ccccn2)cc1 58161028 XBJCOZOUNHWCEM-UHFFFAOYSA-N 347.425 1.753 0 40 EDAB O=C(Cn1cccc(C(F)(F)F)c1=O)NCCc1cccc(O)c1 58181567 MFVRUWGAZIWRFU-UHFFFAOYSA-N 340.301 1.932 0 40 EDAB CN(C(=O)NCCCOc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 44892357 CFWIOSBQOJKTAO-GFCCVEGCSA-N 344.408 1.423 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)C2=NN(C)C(=O)CC2)Oc2ccccc21 44890563 RCLTXZZYFYRNHK-CYBMUJFWSA-N 344.415 1.341 0 40 EDAB C[C@@H](CNC(=O)CCc1nc(-c2nc[nH]n2)no1)c1ccccc1 58267496 NMANYKOKKMYWTN-NSHDSACASA-N 326.360 1.707 0 40 EDAB COc1ncccc1CNC(=O)NC[C@@H](O)c1ccc(F)cc1F 44955278 CBHYYZVVQLHKRP-CQSZACIVSA-N 337.326 1.901 0 40 EDAB CNC(=O)c1cc(C2=Nn3c(nnc3-c3ccco3)SC2)cn1C 44978376 TYBMAFFNZCJDQP-UHFFFAOYSA-N 342.384 1.594 0 40 EDAB CN(C)C(=O)[C@@H]1CN(Cc2ccn(C)c(=O)c2)c2ccccc2O1 44976094 SBHBPWSVIZTNBR-INIZCTEOSA-N 327.384 1.241 0 40 EDAB Cn1ccnc1Sc1ncc(C(=O)Nc2nc[nH]n2)cc1Cl 58341427 ISKZZZYGLQXTKR-UHFFFAOYSA-N 335.780 1.990 0 40 EDAB Cn1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)Nc3ccn(C)n3)C2)n1 58308637 VVLHFBZOLZHLHB-TXEJJXNPSA-N 330.392 1.537 0 40 EDAB CC[C@H](C)C(=O)NCC(=O)N1CCC(C(=O)N2CCCCC2)CC1 58406352 KUFLAFRRIKJUOW-AWEZNQCLSA-N 337.464 1.400 0 40 EDAB O=C(NCc1cnn(-c2ccccc2)c1)N[C@@H]1CCCCNC1=O 45391675 NFEOFRFOURMMAH-OAHLLOKOSA-N 327.388 1.340 0 40 EDAB O=S(=O)(c1cc(F)cc(F)c1)N1CCN(c2cnccn2)CC1 12778925 BNXGQRGKWWHGTD-UHFFFAOYSA-N 340.355 1.266 0 40 EDAB COc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1OC 48326595 RRDDTVQFCIJVMU-UHFFFAOYSA-N 344.415 1.994 0 40 EDAB CCN(CC)S(=O)(=O)NCc1ccc(N2CCCC2=O)cc1 12932439 PZMGQXUPQTZDAZ-UHFFFAOYSA-N 325.434 1.490 0 40 EDAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCCC1=O 3510426 WJMDILUSCPEKER-UHFFFAOYSA-N 331.155 1.881 0 40 EDAB COc1ccc(NC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1 13011721 RWUBMQRCJDCMTH-RHSMWYFYSA-N 349.431 1.554 0 40 EDAB CN(C)C[C@@H]1CCCCN1C(=O)CNC(=O)OCc1ccccc1 63704834 XXNSJBTYIQKQPY-INIZCTEOSA-N 333.432 1.856 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(Cc2noc(-c3ccoc3)n2)C1=O 69582037 IXSCEGMTOMEFBZ-OAHLLOKOSA-N 328.284 1.890 0 40 EDAB CN1C(=O)N(C)C(=O)C2(Cc3cc(N)ccc3N3CCCC[C@@H]32)C1=O 5209514 OMKZOOMMQXSTQA-CQSZACIVSA-N 342.399 1.221 0 40 EDAB CCCSCC(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 65604613 PHYKXZYHGWLJRA-UHFFFAOYSA-N 347.444 1.676 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2cccc[n+]2[O-])cc1 5779949 NUDPNNJDEBZRKP-UHFFFAOYSA-N 345.424 1.818 0 40 EDAB Cc1nn(Cc2noc(C(=O)NC[C@H]3CCCO3)n2)c(C)c1Cl 15082714 WWGFHGQGRSJKCX-SNVBAGLBSA-N 339.783 1.493 0 40 EDAB O=c1[nH]nc(SCc2cn3ccsc3n2)n1C[C@H]1CCCO1 69382063 IHRCLNHRBURDRZ-SNVBAGLBSA-N 337.430 1.752 0 40 EDAB O=C(NCc1ccc(Cn2cncn2)cc1)N1CCOC[C@@H]1C1CC1 89888746 JMVHDUPDXVDVSH-QGZVFWFLSA-N 341.415 1.647 0 40 EDAB CCCc1cc(N2CCN(C3=NC[C@H](C)S3)CC2)n2ncnc2n1 71922401 HYFPSOCMXSKAPY-LBPRGKRZSA-N 345.476 1.690 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cn(C)nc2-c2cccnc2)CC1 69981441 IKUXWXHUAHPCLC-HNNXBMFYSA-N 343.431 1.011 0 40 EDAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc3cn[nH]c23)cn1 69951134 IYRIWIASSDIYLC-UHFFFAOYSA-N 345.384 1.972 0 40 EDAB Cc1ccc(NC(=O)NCC2CCN(S(C)(=O)=O)CC2)s1 75413311 GRGKADQWEDUJIC-UHFFFAOYSA-N 331.463 1.850 0 40 EDAB O=C(N[C@H]1CCc2nnc(-c3ccccc3)n2C1)N1CCOCC1 96000666 ZKLDSIFRGOIAEI-AWEZNQCLSA-N 327.388 1.302 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccn1)n2CCOC 9364754 VTGWIADTZTZSDW-UHFFFAOYSA-N 329.360 1.005 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(CCc2scnc2C)C1 84065682 MKRMETOQLXVXHG-AWEZNQCLSA-N 349.460 1.808 0 40 EDAB O=C(NNc1ncccn1)C1CCN(C(=O)c2ccc(F)cc2)CC1 71797427 GWJVYBMMWBCLSB-UHFFFAOYSA-N 343.362 1.611 0 40 EDAB O=S(=O)(Cc1ccon1)N1CCN(c2nc3ccccc3o2)CC1 96428126 YDBXTDXINORZIS-UHFFFAOYSA-N 348.384 1.468 0 40 EDAB CC(C)N1CCN(c2ccc(C(=O)NC(C)(C)C(N)=O)cc2)CC1 71850276 IPVKIDFYCSHNLI-UHFFFAOYSA-N 332.448 1.211 0 40 EDAB COCCCNC(=O)NC1CCN(C(=O)c2ccccc2O)CC1 72289593 VFSCYJKQAZQCLD-UHFFFAOYSA-N 335.404 1.333 0 40 EDAB O=C(NCCN1C(=O)CCCC1=O)[C@H]1CCCN1Cc1ccccc1 72298199 FZMQITVFZJPBQO-MRXNPFEDSA-N 343.427 1.306 0 40 EDAB CC1CCN(c2ccc(C(=O)NCC(=O)Nc3cn[nH]c3)cn2)CC1 72288383 ABYXFUFOPFSXTC-UHFFFAOYSA-N 342.403 1.410 0 40 EDAB CC(C)C(=O)N1CCCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 76669456 SLAFBTOANDYSLE-AWEZNQCLSA-N 331.482 1.296 0 40 EDAB Cc1nnc(COC(=O)c2cccc3c2oc(=O)n3C)n1C1CC1 97033088 OWUBBDRZUNWUCC-UHFFFAOYSA-N 328.328 1.723 0 40 EDAB Cc1nc([C@H](C)NCCN2CC=CCC2)sc1C 97373545 FHADHCKGOAWMCU-GFCCVEGCSA-N 265.426 2.672 0 40 EDAB Cc1ccccc1NC(=O)[C@H](C)[S@@](=O)Cc1nnnn1C1CC1 78556159 YELUQIVMNYAROZ-BSNNYGBQSA-N 333.417 1.592 0 40 EDAB C[C@H]1C[C@H](N2CCN(Cc3ccc4c(c3)OCCO4)CC2)C(=O)O1 84685954 DTDYFNZKAFARDM-ZFWWWQNUSA-N 332.400 1.279 0 40 EDAB COC(=O)[C@@H]1CCCN1CC(=O)NC1CCC(C(F)(F)F)CC1 95397229 PLCFWTSEHFMUPH-MCIGGMRASA-N 336.354 1.861 0 40 EDAB CCOCC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 78725731 FEOAQGKVXSSYIM-GFCCVEGCSA-N 346.305 1.843 0 40 EDAB CCOC(=O)[C@@H](C)NC(=O)c1cncc(I)c1 95441100 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341.411 1.375 0 40 EDAB Cc1nc(COCC[C@H]2CO[C@H]3CN(C(=O)N(C)C)C[C@@H]23)cs1 306134041 NCHJSHMENWMDKG-QEJZJMRPSA-N 339.461 1.987 0 40 EDAB COC[C@@H](C)NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 408677206 ASOYLNLPZHGBSO-CYBMUJFWSA-N 328.434 1.384 0 40 EDAB Cc1c([C@@H]2CN(C(=O)c3ncccc3Cl)C[C@H]2C(N)=O)cnn1C 527581588 ZVMTVBUMYWZPKD-NWDGAFQWSA-N 347.806 1.118 0 40 EDAB CCOCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(F)cc1 39985781 MZAPKSOQJYTZQU-UHFFFAOYSA-N 346.424 1.379 0 40 EDAB Cc1ccccc1C(=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70641039 AVLHWQHDZJPOPK-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB CCCNc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)O 217662224 QBRSRVAEZAIHTC-JTQLQIEISA-N 330.406 1.520 0 40 EDAB Cc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)c(C)n1C[C@H]1CCCO1 72324846 IZBVKXPGWYFINJ-XWPNQZOQSA-N 347.503 1.923 0 40 EDAB C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1nc(C(C)(C)C)no1 565419396 REDIVMKCNQNWTO-SSDOTTSWSA-N 342.377 1.433 0 40 EDAB O=C(NC1(c2ccc3c(c2)OCO3)CCCC1)c1ccc(=O)[nH]n1 72346531 SNNNVSNYYBEUSQ-UHFFFAOYSA-N 327.340 1.698 0 40 EDAB Cc1nc(NCCc2ccccn2)cc([C@@H]2CCN2S(C)(=O)=O)n1 72387165 XOTZYZWLHLMVLX-HNNXBMFYSA-N 347.444 1.541 0 40 EDAB O=C(COc1cc(C(=O)O)cc(C(=O)O)c1)NCCc1ccccc1 217725730 IWFCKIZYXTWUEO-UHFFFAOYSA-N 343.335 1.821 0 40 EDAB CC(C)(Oc1ccc2c(c1)CCC2)C(=O)NC[C@]1(O)CCCNCC1 72161112 WPWLXUVTIRAMBR-FQEVSTJZSA-N 346.471 1.954 0 40 EDAB Cc1cc(OCC(=O)NCC2(N3CCCCC3)CCOCC2)no1 78917893 JGNQIYJVVZJQDT-UHFFFAOYSA-N 337.420 1.513 0 40 EDAB C[C@@H](C(=O)NCc1nncn1C1CC1)N1CCc2ccccc2C1 73111499 GUQOTIXQIHWXCA-ZDUSSCGKSA-N 325.416 1.676 0 40 EDAB Cc1csc(S(=O)(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1 562545841 WIACSLABFMTVIP-UHIISALHSA-N 344.458 1.161 0 40 EDAB CC[C@H](O)[C@@H]1CCCCN1Cc1csc(CS(C)(=O)=O)n1 75751809 OEFRBLKOVVFOIY-STQMWFEESA-N 332.491 1.813 0 40 EDAB O=C(Cn1cccc1)N1CC(n2cc(COc3ccccc3)nn2)C1 225627443 QOTYDHFDUGACPX-UHFFFAOYSA-N 337.383 1.742 0 40 EDAB NC(=O)c1ccc(C(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 573253645 XIDHOTGYVLQJOL-IAGOWNOFSA-N 335.407 1.994 0 40 EDAB Cc1ccc([C@H](O)CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)o1 49026825 RINKFJUDMBVQLX-IUODEOHRSA-N 346.358 1.930 0 40 EDAB O=C(N[C@H]1CCCc2c(O)cccc21)[C@H]1COCCN1CC(F)F 190326720 JSMJASMYZRGQPD-UONOGXRCSA-N 340.370 1.852 0 40 EDAB O=S(=O)(CCNCc1cc(Cl)cs1)N1CCSCC1 193094266 MANCDXRMBUISJK-UHFFFAOYSA-N 340.923 1.870 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(CCn2cccn2)CC1 75156478 UYEBTOGOEDNQEM-UHFFFAOYSA-N 343.387 1.462 0 40 EDAB COC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCOCC1 226276452 JSMVHNZRMPDAJC-UHFFFAOYSA-N 346.305 1.835 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cn2)cc1OC 330032100 IJJOKBXSWMFJOI-UHFFFAOYSA-N 336.369 1.986 0 40 EDAB Cc1ccccc1C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124226 RWVTVHNADKAKKY-UHFFFAOYSA-N 349.398 1.328 0 40 EDAB Cn1cc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)cn1 96061685 NLDSHTLXPICTDZ-UXHICEINSA-N 340.471 1.938 0 40 EDAB O=C(C1CC=CC1)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 96074055 NOYVHYGCWPMKTR-GOSISDBHSA-N 326.400 1.788 0 40 EDAB CCn1cc2c(n1)CN(S(=O)(=O)Cc1ccccc1)C[C@@H]2COC 96045182 BFOFPYXGKUKIRO-OAHLLOKOSA-N 349.456 1.979 0 40 EDAB CN1C(=O)C2(CCN(S(=O)(=O)C3CC3)CC2)[C@@H]1c1ccccc1 96244745 ZRTDQWALNICHGR-HNNXBMFYSA-N 334.441 1.774 0 40 EDAB COc1ncnc2c1CN(CC(=O)Nc1nc(C)c(C)s1)CC2 97202125 FLMGKJAOZKJACQ-UHFFFAOYSA-N 333.417 1.555 0 40 EDAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@](C)(O)CN1CCOCC1 96450066 DUDGJJZDPGTZSE-LNLFQRSKSA-N 332.444 1.298 0 40 EDAB O=C(c1ccc[nH]1)N1CC[C@@H]2O[C@@H](COCCN3CCCC3)CC[C@@H]21 96064786 NJXFLEHGXVMNTE-NJAFHUGGSA-N 347.459 1.889 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(Cc3ccncc3)C[C@@H]2O1 96100365 APYPQSBOFDFLOY-NUJGCVRESA-N 340.427 1.439 0 40 EDAB Brc1nc(Br)n(C[C@H]2CCOCO2)n1 95407123 RIKVUISBUJGAHX-RXMQYKEDSA-N 326.976 1.566 0 40 EDAB O=C([C@H]1CCCO1)N1CCC[C@]2(CCC(=O)N2Cc2cccnc2)C1 96203203 VQIPYGJQYCJTGW-APWZRJJASA-N 343.427 1.744 0 40 EDAB CCCCS(=O)(=O)N1C[C@H]2CC[C@@]3(N=C(C)N(CC)C3=O)[C@H]2C1 96261455 AEKKNDCCIRDTBU-IJEWVQPXSA-N 341.477 1.477 0 40 EDAB CN(C)CC(=O)N1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 96239062 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0 40 EDAB O=C(NC[C@@H]1CCCO1)Nc1ccc(N2CCCS2(=O)=O)cc1 43948869 QLBDHXXBERRFCV-AWEZNQCLSA-N 339.417 1.527 0 40 EDAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)Cn2cnnn2)C1 48885771 FDUQBFOZSPKWFC-HUUCEWRRSA-N 342.447 1.467 0 40 EDAB CN(CCOc1cccc(F)c1)Cc1nc2c(cnn2C)c(=O)[nH]1 52830040 ZUOQCZQBJMJXDM-UHFFFAOYSA-N 331.351 1.307 0 40 EDAB c1cnc(-c2nc(CN3CCC[C@H]3Cn3cncn3)cs2)nc1 69452863 YLQCSGYGJYKCPI-ZDUSSCGKSA-N 327.417 1.856 0 40 EDAB Nc1nc(CN2CCC(CN3CCOCC3)CC2)nc2ccccc12 69509834 AFHOTNQZZMENKC-UHFFFAOYSA-N 341.459 1.756 0 40 EDAB Cc1cccc(N2CCN(C(=O)[C@H]3CSCCC(=O)N3)CC2)c1 75171371 BQHDMEHAHBAIIH-OAHLLOKOSA-N 333.457 1.265 0 40 EDAB Cn1nc(Br)c2c(N[C@@H](CO)C(C)(C)C)ncnc21 78821667 RBBWKYALUMNHKK-ZETCQYMHSA-N 328.214 1.945 0 40 EDAB CC1(C)[C@@](C)(n2cnc3c(Cl)ncnc32)O[C@](C)(CO)[C@]1(C)O 95535487 PQCHGVAUEZXVJB-KFWWJZLASA-N 340.811 1.711 0 40 EDAB CC[C@@H](C(=O)NCCN1CCS(=O)(=O)CC1)c1ccc(F)cc1 97378227 KXINPRHFCINQKP-OAHLLOKOSA-N 342.436 1.166 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NC1CCC(CS(C)(=O)=O)CC1 1615591032 SMSUTAIAFBAXLF-UHFFFAOYSA-N 341.477 1.299 0 40 EDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(Br)ccc1N 4246282 IEHHVMRAVGGGFP-LURJTMIESA-N 344.165 1.032 0 40 EDAB O=C(Cn1nc(-c2ccncc2)oc1=O)N1CCCc2ccccc21 12115880 CLBGRGNVEDCXMI-UHFFFAOYSA-N 336.351 1.878 0 40 EDAB CCOC(=O)CNC(=O)C1CCN(c2nc3ccccc3n2C)CC1 12221237 CUYSRXWLIGTWRP-UHFFFAOYSA-N 344.415 1.469 0 40 EDAB CCS(=O)(=O)N(CC(=O)NC(C)(C)C)c1ccc2c(c1)OCO2 14397987 FJDNKYDOVIFRJK-UHFFFAOYSA-N 342.417 1.486 0 40 EDAB N[C@@H](CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)O 16899940 UXFZWPXGWNQYML-VHSXEESVSA-N 328.777 1.117 0 40 EDAB O=c1[nH]c(-c2cnccn2)nc2c1CN(Cc1ccccc1F)CC2 19349328 VTDRWQLUCUEGQE-UHFFFAOYSA-N 337.358 1.924 0 40 EDAB O=C(Cn1cccnc1=O)N[C@H](Cc1cccs1)c1ccccn1 19400937 BHRFPDIIZLJOJC-OAHLLOKOSA-N 340.408 1.800 0 40 EDAB CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)Cc1ccccc1)CC2 19707064 GWRQMIQBIVDHNS-MRXNPFEDSA-N 339.443 1.672 0 40 EDAB CC(C)(C)NC[C@H](O)COc1ccccc1-c1ccc(NN)nn1 1842846 QGONODUKOFNSOY-LBPRGKRZSA-N 331.420 1.557 0 40 EDAB in-man CCCCN(C(=O)c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 4504510 RGAPEGPCUWJNPR-ZDUSSCGKSA-N 339.413 1.845 0 40 EDAB CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)C3CC3)CC2)n1 12276608 JLGXXFBERWDYJM-UHFFFAOYSA-N 344.459 1.992 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NC[C@@H](c1ccccc1F)N(C)C 12362322 HGJHUDBFLKNFOH-AWEZNQCLSA-N 340.424 1.449 0 40 EDAB COCCN1CCC(N2CCN(c3cccc(OC)c3)CC2)CC1 252483219 DXMILVCTGFYJLZ-UHFFFAOYSA-N 333.476 1.928 0 40 EDAB CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccccc1 4486743 GZLMZVAEMHLBEO-UHFFFAOYSA-N 348.380 1.854 0 40 EDAB COc1ncccc1C(=O)N1CC[C@H](COc2ccc(C)nn2)C1 1888853681 MIRVSIKEWRLWDB-ZDUSSCGKSA-N 328.372 1.730 0 40 EDAB Cn1cc(C(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)nn1 1888854678 PREFNIZXMJLJHC-NSHDSACASA-N 328.376 1.024 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(S(=O)(=O)C5CC5)C[C@H]4C3)n1)CCC2 1888869980 DKJPWVHNZGMGAL-CHWSQXEVSA-N 348.472 1.134 0 40 EDAB Cc1cn2nc(N3CCN(c4ncc(Cl)cn4)CC3)ccc2n1 1888882246 GTLDSHUJJADURO-UHFFFAOYSA-N 329.795 1.808 0 40 EDAB Cn1cnc2ncnc(N3C[C@H]4CN(c5nccs5)C[C@@H]4C3)c21 1888890744 XYNSYKOYOYGJOL-QWRGUYRKSA-N 327.417 1.392 0 40 EDAB CC(C)c1noc(CN2CCC[C@H](NS(=O)(=O)C3CC3)C2)n1 1889125153 SGFMSZKJEXYEKD-NSHDSACASA-N 328.438 1.239 0 40 EDAB O=C1CCC[C@H](C(=O)N2CCC[C@@H]2CNc2nc3ccccc3o2)N1 1063526643 PLNBYGARPLIYTM-TZMCWYRMSA-N 342.399 1.899 0 40 EDAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1)C1CC1 1775963823 FJLDHQBLSZRRHM-AWEZNQCLSA-N 340.383 1.960 0 40 EDAB biogenic,in-vitro Cc1noc([C@@H]2CN(C(=O)c3cn(C)nn3)C[C@@H]2c2ccccc2)n1 238863535 LFTSWJJHMFMVSN-ZIAGYGMSSA-N 338.371 1.530 0 40 EDAB Cc1ncccc1C(=O)N1CC[C@]2(COCC(=O)N(C(C)C)C2)C1 2037984520 DIPWSLVOZCSPCI-SFHVURJKSA-N 331.416 1.490 0 40 EDAB O=C1CC(C(=O)N2CC3(C[C@H](NC4CCCC4)CS3)C2)=CC=N1 2056223419 KMKKLDLRSPIQSH-AWEZNQCLSA-N 333.457 1.533 0 40 EDAB COc1cc(C(=O)N2[C@H]3CC[C@H]2CN(Cc2cccnc2)C3)on1 1017495032 WCBMXOPLAHCLHE-KBPBESRZSA-N 328.372 1.567 0 40 EDAB CC1CC(C(=O)N2C[C@H](OCCN3CCCC3)[C@H]3OCCC[C@H]32)C1 1565547282 NENBPOYNRLUJDC-QEXNXIHPSA-N 336.476 1.903 0 40 EDAB O=C(c1csnn1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 1565549675 YXSJVWQUEJKJJU-ILXRZTDVSA-N 346.412 1.522 0 40 EDAB O=S1(=O)Cc2sc(=S)n([C@H]3CCS(=O)(=O)C3)c2C1 5290341 IFOIHNNBYQSMJZ-LURJTMIESA-N 325.458 1.067 0 40 EDAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2)cc1 17052312 ALUDUZQAGUUZJR-UHFFFAOYSA-N 329.385 1.449 0 40 EDAB Cc1ccc(/C=C/S(=O)(=O)NCCCn2ncccc2=O)cc1 38517400 IINOMHUCOZILPL-UKTHLTGXSA-N 333.413 1.532 0 40 EDAB O=C(Cn1cnc2ccccc21)N1CCC[C@@H](Oc2cnccn2)C1 225467897 NOXZHRWIVSKNHN-CQSZACIVSA-N 337.383 1.896 0 40 EDAB Cn1cccc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)C2)c1=O 225675966 XZYBDPYOICFMBH-CYBMUJFWSA-N 326.352 1.744 0 40 EDAB O=C(c1ccsc1)N1CCN(C2CCS(=O)(=O)CC2)CC1 225811014 LLUITDWDETWBJL-UHFFFAOYSA-N 328.459 1.083 0 40 EDAB C[C@H](Oc1ccccc1F)C(=O)N1CC(CN2C(=O)CCC2=O)C1 618256118 NMZQSFYLTBRZDO-NSHDSACASA-N 334.347 1.200 0 40 EDAB COC(=O)CNC(=O)N1C[C@H](c2ccccc2)[C@@H](c2nc(C)no2)C1 245108390 SVCQWHHNJFGMMD-KGLIPLIRSA-N 344.371 1.444 0 40 EDAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1 97096101 MYLNVKXYGMIJAA-FUHWJXTLSA-N 343.471 1.976 0 40 EDAB COC(=O)c1ccccc1NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 103066599 WTKCCAIRLNYXHK-TXEJJXNPSA-N 344.367 1.587 0 40 EDAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NCc2ccccc2)c1 40288244 MLHSQAVNOAAMAQ-UHFFFAOYSA-N 336.355 1.226 0 40 EDAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1n[nH]c2ncccc12 40284953 BPACPOMSGINHIX-UHFFFAOYSA-N 329.747 1.866 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)o1 31483553 YLLXMUCHOWALLZ-ZDUSSCGKSA-N 334.397 1.995 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)NCCN3CCCCC3)cnc12 40535705 JIRJJBDXKPSHSM-UHFFFAOYSA-N 328.416 1.307 0 40 EDAB Cc1nn(C)cc1CN(C)S(=O)(=O)c1cn(C(F)F)nc1C 36615278 BILPTKNJHZSWOI-UHFFFAOYSA-N 333.364 1.449 0 40 EDAB CC(=O)N1CCc2cc(C(=O)NCc3ccnc(N(C)C)c3)ccc21 40512560 JBKZNFBCTZBXPK-UHFFFAOYSA-N 338.411 1.987 0 40 EDAB CCc1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 7986370 IPOWMECTONRYJU-UHFFFAOYSA-N 331.397 1.685 0 40 EDAB COc1cc(C)c([C@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1OC 40548708 TWLMICVARBXGIL-NSHDSACASA-N 344.433 1.081 0 40 EDAB NC(=O)CC1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 40542716 ODCHVNBMJYICAS-AWEZNQCLSA-N 329.400 1.154 0 40 EDAB COc1ccc(C)cc1[C@@H](O)CN1CCN(c2ncccn2)CC1 51091170 FUEBCNUKFPBRLY-INIZCTEOSA-N 328.416 1.649 0 40 EDAB Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCN2CCC[C@@H]2C1 2778329 WMIFCTWMBNPSCH-GFCCVEGCSA-N 330.354 1.907 0 40 EDAB CC1(C)[C@H]2CC=C(CN3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)O)[C@H]5C3=O)[C@@H]1C2 3881888 KFWIQRFOCDYDRG-QUYUGOAUSA-N 329.396 1.845 0 40 EDAB biogenic Cc1cc(C)n(CC(=O)Nn2c(S)nc3ccccc3c2=O)n1 101606814 MKUBMZGKEZPEHM-UHFFFAOYSA-N 329.385 1.269 0 40 EDAB COCCNC(=O)[C@H](OC(=O)c1ccco1)c1ccc(OC)cc1 4900668 IBPHKTXPYMZCGS-OAHLLOKOSA-N 333.340 1.949 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 6581396 BHMHHBYJJNYSBQ-KRWDZBQOSA-N 331.372 1.085 0 40 EDAB CCOC(=O)c1cc2c(-c3ccccc3)nc3ncnn3c2n(C)c1=O 11666904 VVBXSRSHFADODL-UHFFFAOYSA-N 349.350 1.820 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cc1 32765512 POAYTQGFHQRDEH-MJBXVCDLSA-N 332.400 1.684 0 40 EDAB CN(C)C(=O)C1CCN(Cn2nnc(-c3ccc(Cl)cc3)n2)CC1 45909626 PNFTYJWQCQJXRE-UHFFFAOYSA-N 348.838 1.751 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)C[C@H](C)O1 29455695 HUPIZDLXJRWVAK-IUCAKERBSA-N 344.820 1.633 0 40 EDAB CN(CC(=O)N[C@H]1CCCCNC1=O)Cc1ccc(F)cc1F 46061030 PFKTVTLJPNXGDW-AWEZNQCLSA-N 325.359 1.182 0 40 EDAB C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCOCC1 41248125 ZRNNPFLRBOWECZ-JTQLQIEISA-N 341.205 1.426 0 40 EDAB CC(C)Cn1nnnc1SCc1csc(CC(=O)N(C)C)n1 32922679 SDMATXHRIYYTPQ-UHFFFAOYSA-N 340.478 1.709 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c(C)n1C(C)C 42071237 SFSBHFZBUPXIDR-AWEZNQCLSA-N 341.477 1.840 0 40 EDAB COc1cc(C=NNc2nnn[nH]2)c([N+](=O)[O-])cc1OCCC(C)C 22632955 JDCQXLYEOGWXBY-UHFFFAOYSA-N 349.351 1.987 0 40 EDAB CCOc1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1OC 22740758 WRYDRONEGSEDRF-HNNXBMFYSA-N 327.402 1.401 0 40 EDAB COc1ccc(F)cc1C(=O)CN1C(=O)N[C@]2(CCSC2)C1=O 22981281 VZUCZXLHYDEHFG-HNNXBMFYSA-N 338.360 1.445 0 40 EDAB Cc1ccc(C(=O)NCC(=O)NCCCn2nc(C)cc2C)cc1 23246585 JYYBXWOLAJGRRC-UHFFFAOYSA-N 328.416 1.745 0 40 EDAB CC[C@H](C)NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22055997 FIVPETIWJJYJSB-AWEZNQCLSA-N 333.432 1.448 0 40 EDAB CCN(CC)[C@H](C)CNC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 89967755 IUGFEPOKGMJMII-PBHICJAKSA-N 337.468 1.407 0 40 EDAB COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 100634907 ZVBPDJBZBVKMAA-WFGGJUAMSA-N 337.734 1.939 0 40 EDAB Cn1cc(CCNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cn1 42729520 WIWVPRHKBPVIFC-QGZVFWFLSA-N 329.400 1.950 0 40 EDAB Cc1cccc(OC[C@H](O)CN2C(=O)N[C@@]3(CCSC3)C2=O)c1 24096859 XZFFKDGYSWUKRQ-MLGOLLRUSA-N 336.413 1.162 0 40 EDAB O=C(CNC(=O)c1cccs1)Nc1cccc(-n2cnnc2)c1 24703842 DHPMGLIJSXZUMT-UHFFFAOYSA-N 327.369 1.697 0 40 EDAB COc1ccccc1CCNC(=O)CN1CCC[C@@H]1c1noc(C)n1 75573187 BQZYQGFJXHIRFN-OAHLLOKOSA-N 344.415 1.882 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(COc2ccccc2)CC1 55425928 YYTAQWTYLRTWGA-OAHLLOKOSA-N 337.441 1.739 0 40 EDAB CN(Cc1ccco1)C(=O)Cn1cc(I)cn1 76018382 GOLKSXBEOUVQQV-UHFFFAOYSA-N 345.140 1.739 0 40 EDAB COCCN1CCN(CC(=O)N[C@H](C)c2ccccc2OC)C[C@@H]1C 106776597 UIOHBJSUWBEZBM-JKSUJKDBSA-N 349.475 1.525 0 40 EDAB Cc1csc(N2CCCN(C(=O)C3=NN(C)C(=O)CC3)CC2)n1 55759677 WLFUORCJFFEIAT-UHFFFAOYSA-N 335.433 1.098 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CN(C)CCN2C)C12CCCC2 76087441 BXOLNECXFQMTRU-BZUAXINKSA-N 338.496 1.269 0 40 EDAB Cc1csc(CCCNC(=O)NC[C@](C)(O)c2cnn(C)c2)n1 76021099 RWFGPFKNOUFTLI-HNNXBMFYSA-N 337.449 1.325 0 40 EDAB O=C(NCCNS(=O)(=O)N1CCCCCC1)c1ccccc1 25527078 YCHFMRDOFLMVGD-UHFFFAOYSA-N 325.434 1.127 0 40 EDAB O=C(CCN1CCC[C@H]1C[C@H](O)c1ccccc1)N1CCOCC1 76107038 HLXAUFGYQJQQGN-ROUUACIJSA-N 332.444 1.823 0 40 EDAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCO1 27883323 OZWJGMXWKNRFGH-BXKDBHETSA-N 333.356 1.980 0 40 EDAB O=C(NCCN1CCOCC1)C1(c2ccc(F)cc2)CCOCC1 57191237 BBAGUVJFKLTOAZ-UHFFFAOYSA-N 336.407 1.322 0 40 EDAB CCN(CC)S(=O)(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 26869942 CZXQELRXNQGRND-SNVBAGLBSA-N 327.406 1.255 0 40 EDAB O=S(=O)(NCc1ccccc1Cn1ccnc1)N1CCCCC1 26818432 IJXJGTDHUBYIDL-UHFFFAOYSA-N 334.445 1.752 0 40 EDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1F 57991952 PBNHDCBRJPHQOG-SECBINFHSA-N 337.319 1.820 0 40 EDAB Cc1nc(S(=O)(=O)NC(=O)[C@@H]2CCc3n[nH]cc3C2)sc1C 408502759 TTYSKNQKKPJCJT-SECBINFHSA-N 340.430 1.093 0 40 EDAB O=C(CN1CCN(Cn2cc(Cl)cn2)CC1)NCc1ccccc1 58263781 ZKKSWPNUMAIYRI-UHFFFAOYSA-N 347.850 1.428 0 40 EDAB CC(C)(C(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1ccccc1 58268314 PLROORDDOANDNO-AEFFLSMTSA-N 346.471 1.818 0 40 EDAB CN(CCCN1C(=O)NC(C)(C)C1=O)C[C@@H]1COc2ccccc2O1 44975105 AQRRTQRQEJOUQD-CYBMUJFWSA-N 347.415 1.479 0 40 EDAB C[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1ccncc1 44950094 IHTYEPVDUAVSNJ-CYBMUJFWSA-N 326.404 1.901 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(N2CCOCC2)cn1 44974071 XVHCFWJEZHLPTE-GFCCVEGCSA-N 344.371 1.268 0 40 EDAB C[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)[C@@H]1CCCO1 27853338 RCRPYVXSULTXHX-CJNGLKHVSA-N 327.384 1.589 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)COc2ccccc2NC(C)=O)C1 36391675 QCPQRZQVOSBLBW-AWEZNQCLSA-N 348.399 1.826 0 40 EDAB C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1cccc(Cl)c1 47892924 YIIIUAMRQZKTAI-LLVKDONJSA-N 347.868 1.982 0 40 EDAB O=C1COc2ccc(C(=O)COC(=O)c3ccccc3O)cc2N1 3294450 ZEELLVADYZCMOB-UHFFFAOYSA-N 327.292 1.763 0 40 EDAB O=C(O)[C@H]1CCN(C(=O)COc2ccc(Br)cc2)C1 62118875 DJWCHRHCXOOYIK-VIFPVBQESA-N 328.162 1.761 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)N(C[C@H]1CCOC1)C1CC1 48133000 UMRAJIMRZQFECI-GFCCVEGCSA-N 328.376 1.695 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1n[nH]c(-c2ccccn2)n1 48290564 OFNLOCZHYPIPFE-SECBINFHSA-N 326.316 1.217 0 40 EDAB Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCOC2)N2CCOCC2)o1 48236193 YQCRDXMSRTYDIR-HUUCEWRRSA-N 337.420 1.297 0 40 EDAB C[C@@]1(c2cccs2)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 48345622 ULEWAXZDQCFLQM-PXAZEXFGSA-N 346.408 1.955 0 40 EDAB Cc1ccc([C@H](C)NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1 78309101 CCLWPOXMFAGGTB-AWEZNQCLSA-N 341.415 1.848 0 40 EDAB C=CCc1ccccc1OC[C@@H](O)Cn1cnc2ncccc2c1=O 12821099 JLLGNINRRCIDJT-HNNXBMFYSA-N 337.379 1.960 0 40 EDAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCCCC1 12855614 XRJVVGLVXXEKQX-IBGZPJMESA-N 341.411 1.998 0 40 EDAB CCn1nc2c(cc1=O)CN(C[C@@H](O)COCc1cccs1)CC2 78613467 XVLZKNUDCHFMME-CQSZACIVSA-N 349.456 1.261 0 40 EDAB CNc1snc(C)c1C(=O)OCC(=O)NCc1ccc(OC)cc1 16973776 XBJWQHVHOVMHPX-UHFFFAOYSA-N 349.412 1.975 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)n1 69518200 BMELYOLCDUVWMY-KBPBESRZSA-N 342.399 1.921 0 40 EDAB CCOC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1ccnn1C 17070474 VOPMVAXQRWMSMF-LLVKDONJSA-N 334.405 1.586 0 40 EDAB CCC(=O)c1ccc(OCc2nc3c(c(=O)[nH]c(=O)n3C)n2C)cc1 63415047 MMBXFGSSMHHDJB-UHFFFAOYSA-N 342.355 1.132 0 40 EDAB COc1ccccc1CNC(=O)C(=O)Nc1n[nH]c2ncccc12 49549302 SAMIJRXGELQAEA-UHFFFAOYSA-N 325.328 1.221 0 40 EDAB O=C(Nc1ccnc(Cl)c1)C(=O)N[C@H](CO)Cc1ccccc1 13689858 GIWGCHANOXXMAC-ZDUSSCGKSA-N 333.775 1.393 0 40 EDAB CNC(=O)CCNC(=O)c1cc(Br)c2c(c1)OCCO2 69419584 HJIFLADFXBMKDO-UHFFFAOYSA-N 343.177 1.086 0 40 EDAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H]1COCCO1 69566822 DHDULFNZXDVNPG-GFCCVEGCSA-N 332.381 1.868 0 40 EDAB CC(C)(C)c1csc(CCNC(=O)N[C@@H]2CCCCNC2=O)n1 69595769 NFWBOIZYVWUSGH-LLVKDONJSA-N 338.477 1.951 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)CCO1 49864878 XYYLWNJRBCITQT-NSHDSACASA-N 334.155 1.684 0 40 EDAB CS(=O)(=O)CC[C@H]1NC(=O)N(Cc2c(F)cccc2Cl)C1=O 8507079 JAUINZYTKDGMPI-LLVKDONJSA-N 348.783 1.334 0 40 EDAB O=S(=O)(Oc1ccc(Cl)c2cccnc12)N1CCOCC1 4335364 PDHQFXCODPYFMN-UHFFFAOYSA-N 328.777 1.844 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NS(=O)(=O)C1=Cc2ccccc2CC1 69658198 ZORYWJMIQUBRTG-UHFFFAOYSA-N 332.385 1.546 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@@H](n2ccnc2)C1 69660255 GZMBRVHHDGEJJS-CQSZACIVSA-N 337.383 1.457 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c(=O)[nH]1 65465366 YQARRGTYLVGLCP-GFCCVEGCSA-N 345.365 1.882 0 40 EDAB Cc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NC2CCCC2)C1=O 65515239 AFBJAZXECRSRHC-SFHVURJKSA-N 329.400 1.821 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCC(CC(N)=O)CC1)c1cccs1 65566171 VDKNKLAESMYRFE-ZDUSSCGKSA-N 338.477 1.648 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)N[C@H](C)[C@@H]2CCCO2)ccc1F 69716998 LUMHZDFPPKJBLH-OTYXRUKQSA-N 334.355 1.799 0 40 EDAB CNC(=O)CS(=O)(=O)Cc1csc(-c2ccccc2F)n1 69742876 VCOCLDNXCYMNNQ-UHFFFAOYSA-N 328.390 1.610 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1C 69744640 AGZLWLXGGJOOET-QWRGUYRKSA-N 344.433 1.312 0 40 EDAB CC1CCN(C[C@H](O)CN2CCN(C[C@@H](O)C(C)(C)C)CC2)CC1 69776628 UWQLVHOFPRUKKO-ZWKOTPCHSA-N 341.540 1.104 0 40 EDAB Cn1ncc2c(NC[C@@H]3CN(Cc4ccccc4)CCO3)ncnc21 14215210 GCQWTRQXTCHKQG-OAHLLOKOSA-N 338.415 1.676 0 40 EDAB COc1ccc(Cl)cc1NCCC(=O)N1CCNC(=O)CC1 65901721 YMJULIFVXFSTHX-UHFFFAOYSA-N 325.796 1.499 0 40 EDAB CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609564 UMEIITVNQTZVIP-UHFFFAOYSA-N 328.409 1.456 0 40 EDAB O=C(O)COc1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1 4727792 UQACVVPTLSABOX-UHFFFAOYSA-N 328.303 1.991 0 40 EDAB CCOCCNS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 4784283 HLJRDMBXQLDIBZ-UHFFFAOYSA-N 334.781 1.100 0 40 EDAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(C[C@@H](C)O)CC1 69871434 VAPUREDIAYTVKV-GFCCVEGCSA-N 346.456 1.652 0 40 EDAB O=C(C1CCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 5614489 PDSQGCNKDXPDST-UHFFFAOYSA-N 326.393 1.459 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 69897927 FUGBRRNSSAORFT-LBPRGKRZSA-N 344.864 1.800 0 40 EDAB O=C(O)CCNC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 8991228 GMFFDZZDTNIQAY-UHFFFAOYSA-N 344.371 1.110 0 40 EDAB Cc1nc(CN2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)cs1 69976736 ORROQNAKFQBUFD-GFCCVEGCSA-N 334.449 1.339 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69947450 LMHYSURBLFCKJA-UHFFFAOYSA-N 342.447 1.229 0 40 EDAB CN(C)c1ccc(C(=O)N2CCC(N(C)c3cccnn3)CC2)nn1 69923576 DUCRGTHMBCOQEE-UHFFFAOYSA-N 341.419 1.074 0 40 EDAB CCNC(=O)CNC(=O)CSc1nccn1-c1ccc(C)c(C)c1 7153150 UFFZSUALQGFTDP-UHFFFAOYSA-N 346.456 1.834 0 40 EDAB CCNC(=O)[C@H](C)Oc1cc(C(=O)OCC)cc(C(=O)OCC)c1 7150758 RTZZMDXTTBJZQZ-NSHDSACASA-N 337.372 1.943 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 7729381 FPTKUFHSGMOPJV-VIFPVBQESA-N 337.357 1.812 0 40 EDAB C[C@H]1CCc2sc(C(=O)O[C@@H](C)C(=O)N3CCNC3=O)cc2C1 7864861 MGLUANGBMTUAQU-UWVGGRQHSA-N 336.413 1.970 0 40 EDAB CCN(C)[C@H](C(=O)OCC(=O)NCC(F)(F)F)c1ccccc1 71921372 OXXPWIPOZWXOKY-ZDUSSCGKSA-N 332.322 1.901 0 40 EDAB Cc1cc(NC(=O)CN[C@H](CO)c2ccc(Cl)c(F)c2)n(C)n1 96006523 HTBWFVAOTRJNDE-CYBMUJFWSA-N 340.786 1.783 0 40 EDAB CN(C)C(=O)Cn1cc(C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)nn1 96003893 ZSIWROFNJZEJCW-UHFFFAOYSA-N 345.388 1.157 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc2nncn2c1 96009602 USXFCIWRVKWDHG-UHFFFAOYSA-N 348.432 1.999 0 40 EDAB CC[C@H](C)NC(=O)Cn1ccn(-c2cc(F)ccc2C)c(=O)c1=O 67320243 UZAYKSKHAJZVQD-LBPRGKRZSA-N 333.363 1.361 0 40 EDAB CC(=O)NCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 9530665 KULBBFLKGAKUKM-UHFFFAOYSA-N 344.742 1.773 0 40 EDAB O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@@H](N2CCNC2=O)C1 71841691 UBQVCRVPJOCEOX-OAHLLOKOSA-N 339.399 1.502 0 40 EDAB CCC[C@@H]1CCc2nc(NC(=O)Cn3ccc(=O)[nH]c3=O)sc2C1 71850011 GEKLBWXJRDUJAZ-SNVBAGLBSA-N 348.428 1.537 0 40 EDAB CC(C)NC(=O)[C@H](c1ccccc1)N1CCO[C@H](Cn2cncn2)C1 71876589 CVHQWFJBSKQHBT-IRXDYDNUSA-N 343.431 1.245 0 40 EDAB O=S(=O)(c1ccc2c(c1)N(CCn1cncn1)CC2)N1CCCC1 78876587 QFRUKBNKQBDJQB-UHFFFAOYSA-N 347.444 1.125 0 40 EDAB COc1ccc(-c2noc(CNC(=O)NCc3ccco3)n2)cn1 72274959 KDIFBEFDVSGGRQ-UHFFFAOYSA-N 329.316 1.733 0 40 EDAB CN(C)C(=O)C(C)(C)NC(=O)c1cc(I)c[nH]1 72286019 ADMXWLYDRSWCPM-UHFFFAOYSA-N 349.172 1.216 0 40 EDAB CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 72293158 AXNRPKQRISGBLA-BFUOFWGJSA-N 346.427 1.863 0 40 EDAB COCc1noc([C@@H](C)N2CCN(c3nc4ccccc4[nH]3)CC2)n1 97086179 XLRMMEADMHOKBF-GFCCVEGCSA-N 342.403 1.976 0 40 EDAB c1nc(N2CC[C@]3(CCOC3)C2)cc(N2CC[C@]3(CCOC3)C2)n1 97096976 CTFOIIZPYVKVEY-ROUUACIJSA-N 330.432 1.710 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2c[nH]nc2-c2ccccc2)C1 97051730 DWKUCLCBLMGYMJ-HNNXBMFYSA-N 334.445 1.590 0 40 EDAB Cc1nn(C)c(C)c1OCC(=O)N1CCOC[C@@H]1c1cccn1C 97143957 SYEYGLWPEQYIEB-OAHLLOKOSA-N 332.404 1.354 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cnc2ccccc2n1 72310530 OZVNRFBREGTDNG-ZDUSSCGKSA-N 334.401 1.382 0 40 EDAB COC(=O)CNC(=O)CCNC(=O)Cc1coc2cc(C)c(C)cc12 72427710 ADAWXFPQAHLHLI-UHFFFAOYSA-N 346.383 1.388 0 40 EDAB O=C(Cc1noc([C@@H]2CC(=O)N(CC3CC3)C2)n1)NC1CCCCC1 84543966 OMPFGNKTEUTLOK-CYBMUJFWSA-N 346.431 1.787 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 95350081 QMAVCJCHQYPOHB-CABCVRRESA-N 330.384 1.057 0 40 EDAB COc1ccsc1C(=O)N1CSC[C@@H]1C(=O)N1CCOCC1 95381531 DBANGNQOIUKJPY-SNVBAGLBSA-N 342.442 1.131 0 40 EDAB Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1 95418246 YQVLUBAYENNBKA-ZDUSSCGKSA-N 331.372 1.744 0 40 EDAB CCCn1c(C)nnc1CN(C1CC1)S(=O)(=O)c1cccnc1 95448487 AHXWKDJOVAGUAN-UHFFFAOYSA-N 335.433 1.745 0 40 EDAB C[C@H]1c2ccc(F)cc2CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 73880923 RDTIWRGOTOCPAR-ZFWWWQNUSA-N 347.434 1.682 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N1CCN([C@H](C)c2ccccn2)CC1 95943252 XIIDMPRHBBIYKF-HUUCEWRRSA-N 343.435 1.150 0 40 EDAB NC(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cn1 95956364 ORASERLFCGNVOC-HZPDHXFCSA-N 343.358 1.970 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3COc4ccccc4C3)CCO2)n1 89289720 KJZGPVUFGAKPJE-ZFWWWQNUSA-N 342.399 1.518 0 40 EDAB CC(=O)Nc1cnn(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)c1 516785446 YONCAVKKWIYEIB-JTQLQIEISA-N 336.342 1.867 0 40 EDAB COc1nscc1CN(C)C(=O)c1ccc(Cn2ccnn2)o1 1522327719 QYDAFIQKRGYERA-UHFFFAOYSA-N 333.373 1.657 0 40 EDAB Cc1n[nH]c(SCC(=O)NCc2cccc(-n3ccnc3)c2)n1 73733700 WZCPQBUPXIFODB-UHFFFAOYSA-N 328.401 1.707 0 40 EDAB COc1ccc([C@@H]2C[C@@H](C)N(Cc3nc(N)nc(N(C)C)n3)C2)cc1 76393352 FEVNFNJYQIPCRO-TZMCWYRMSA-N 342.447 1.906 0 40 EDAB CCN(CCNS(=O)(=O)c1cnn(C)c1)c1ccc(F)c(F)c1 72579206 ASSURKACAIFFGJ-UHFFFAOYSA-N 344.387 1.503 0 40 EDAB Cc1noc(C)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 32249994 OJRMCJUXESXFJG-INIZCTEOSA-N 329.400 1.922 0 40 EDAB CN(C)CC(=O)N1CCN(c2ccnc3c(F)ccc(F)c23)CC1 78393937 MIFPHWXRWYNKFD-UHFFFAOYSA-N 334.370 1.723 0 40 EDAB O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1cccnc1 36741448 SYDGHKBMRZUVBN-UHFFFAOYSA-N 339.461 1.395 0 40 EDAB CCCS(=O)(=O)N1CCC(N[C@H](c2nccn2C)C2CC2)CC1 127574459 IQPQPCARWJUGOE-HNNXBMFYSA-N 340.493 1.665 0 40 EDAB NC(=O)CN1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 72363504 FVVGVPNXTWBVMD-AWEZNQCLSA-N 325.416 1.960 0 40 EDAB C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1nccn1C(F)F 188409431 PQOGIAFFGUJESO-LLVKDONJSA-N 345.394 1.265 0 40 EDAB Cc1csc(=O)n1CCN1CCN(C2=NC[C@@H](C)S2)CC1 79497228 QECMJQKCGUSHQL-GFCCVEGCSA-N 326.491 1.327 0 40 EDAB COc1ccc(C(=O)Nc2cnc(-n3cccn3)nc2)cc1OC 224242532 XLKBOEUOJLYXBY-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)Cc3cccs3)C2)n1 225400301 DQLPWULKXQMTKN-LBPRGKRZSA-N 332.429 1.827 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)NCCSC1CCOCC1 238889323 QLEOOWYXSMOXDU-UHFFFAOYSA-N 326.418 1.036 0 40 EDAB CCc1cccc(C(=O)N2CCO[C@H](CNC(=O)C3(CC)CC3)C2)n1 1065274555 QKGKLMZYQASYQD-OAHLLOKOSA-N 345.443 1.791 0 40 EDAB CC1=NN(c2ccc(-c3nnc(SCC(=O)O)n3C)cc2)C(=O)C1 228975877 XTTUCJAIYJERME-UHFFFAOYSA-N 345.384 1.771 0 40 EDAB O=C(Nc1cncnc1N1CCCC1)c1cn(-c2ccccc2)nn1 137312727 YMBMUKCIEJFRIY-UHFFFAOYSA-N 335.371 1.910 0 40 EDAB CNC(=O)Cc1nc(Cn2nnc(-c3ccc(F)c(C)c3)n2)cs1 81275787 ZHQKERQSDSINBF-UHFFFAOYSA-N 346.391 1.581 0 40 EDAB CCOC(=O)N1CCN(C(=O)COc2cccc3cccnc23)CC1 223136336 LPPWTJSBYWEJGT-UHFFFAOYSA-N 343.383 1.914 0 40 EDAB CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccnnc1C 330852761 MJHGGSYKRKZUAV-CYBMUJFWSA-N 326.422 1.318 0 40 EDAB CN(C(=O)CNC(=O)N1CCc2ccccc2C1)c1nccs1 96407871 ODPWXBMMUXNHMK-UHFFFAOYSA-N 330.413 1.874 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccco1)C2 96039530 LTYGDNFTKVJDMB-WMZOPIPTSA-N 336.432 1.869 0 40 EDAB CCNC(=O)Cn1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)n1 95397491 DDIBPVCEYMWGJD-UHFFFAOYSA-N 343.362 1.821 0 40 EDAB c1nc(NCC2CC2)cc(N2CCCN(C3CCOCC3)CC2)n1 95442063 CXXFOIYEBKHTRX-UHFFFAOYSA-N 331.464 1.990 0 40 EDAB Cc1occc1C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 96196950 UFVQELLBWHMOBK-UHFFFAOYSA-N 325.372 1.728 0 40 EDAB CN1C[C@@H](NC(=O)Nc2cc(F)ccc2-n2cccn2)CCC1=O 96415938 INPUHLJTQVVDTI-LBPRGKRZSA-N 331.351 1.754 0 40 EDAB O=C(c1ncccn1)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107673 CFMBFQBXEXRDQG-GUYCJALGSA-N 326.356 1.324 0 40 EDAB COC(=O)[C@H](c1cccnc1)N1CCC(CO)(NCC2CC2)CC1 577757205 PWZCIGXKBVJGCX-INIZCTEOSA-N 333.432 1.122 0 40 EDAB Cn1ccnc1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 96421356 IKOIWIHSEZODQF-HNNXBMFYSA-N 348.834 1.877 0 40 EDAB O=C(c1ccccn1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 96188377 CLBUZZAIYVMNIM-OAHLLOKOSA-N 325.416 1.646 0 40 EDAB C[C@H](N1CCN(C(=O)NCCOc2cccnc2)CC1)C(F)(F)F 96455078 QRAKVMOBBUJCDE-LBPRGKRZSA-N 346.353 1.738 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CC[C@H]2[C@H]1CCN2c1ncccn1 96184837 LSQUYICBBKBOOF-LSDHHAIUSA-N 348.403 1.658 0 40 EDAB CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1cnn(C)c1)N(C)C 96410786 ZJNGDUSGIIEFHB-INIZCTEOSA-N 343.431 1.340 0 40 EDAB O=C(N[C@H]1CN(Cc2ccco2)[C@H]2CCCO[C@@H]12)c1cnccn1 96110732 ICSZXDNNVFBVFM-JYJNAYRXSA-N 328.372 1.231 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@H](NS(=O)(=O)CCCF)C1=O 96456125 KCDGDKCNOWNKJM-ZDUSSCGKSA-N 346.399 1.909 0 40 EDAB O=C(COC1CCCC1)NCCNc1nccc(C(F)(F)F)n1 96414558 WXKKAAKHNBRALD-UHFFFAOYSA-N 332.326 1.983 0 40 EDAB CC(C)CN1CCS(=O)(=O)[C@@H]2CCN(C(=O)NC(C)C)CC[C@@H]21 96251577 PPNIDPVGWUSVCN-LSDHHAIUSA-N 345.509 1.324 0 40 EDAB c1cncc(CN2CCOC[C@]3(CC[C@H](CN4CCOCC4)O3)C2)c1 96052365 GAJKUAXIRMEVPE-MOPGFXCFSA-N 347.459 1.164 0 40 EDAB CC(C)C[C@@H](C)OC(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 583651822 TUPIXXGDZVNTFU-UKRRQHHQSA-N 325.453 1.842 0 40 EDAB CCc1onc(C)c1C(=O)N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 583618990 QJNWBPXASXWXHF-KRWDZBQOSA-N 347.419 1.842 0 40 EDAB CO[C@H]1C[C@@H](C(=O)NCCNc2ncccc2C(F)(F)F)N(C)C1 583617493 DVIQTMPYIPKSFI-JQWIXIFHSA-N 346.353 1.348 0 40 EDAB Cc1cc(C)n(CCC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)n1 97198166 MJTOUSPKBYTXMD-AWEZNQCLSA-N 330.436 1.736 0 40 EDAB C[C@H](Cc1c(F)cccc1F)NC(=O)CNC(=O)c1ccccn1 96416914 XQMVVYXGIQGZBF-LLVKDONJSA-N 333.338 1.837 0 40 EDAB Cc1cc(CN2CC3(C2)OCC[C@H]3COc2ccccn2)n(C)n1 248013286 FNLHIGFTECVPCD-HNNXBMFYSA-N 328.416 1.793 0 40 EDAB COc1ccsc1S(=O)(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 245339254 RNJUNXYANXIEFJ-AVGNSLFASA-N 342.486 1.862 0 40 EDAB CC(=O)N1CCC[C@@H]2N(C(=O)c3cc(C)nc(O)n3)CCC[C@@]21C 257341626 ZLDURJQLBGCXSF-YOEHRIQHSA-N 332.404 1.496 0 40 EDAB C[C@H](CCO)NC(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 585090983 KGLUGYJNTWIAER-IGCXYCKISA-N 326.437 1.911 0 40 EDAB Cc1cc(C(=O)NC2CC(N3CCOCC3)C2)c2c(C)noc2n1 585123798 RJEGPZDBAXAVST-UHFFFAOYSA-N 330.388 1.433 0 40 EDAB O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)N1CCCO1 585115775 RMUGTFGUKUGTDV-FQEVSTJZSA-N 344.336 1.915 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2cc3c(cn2)OCCO3)C1 585118435 OUONRVJCWFXDAI-DGCLKSJQSA-N 326.418 1.298 0 40 EDAB NC(=O)c1cnn2c(C3CCN(Cc4ccccn4)CC3)ccnc12 257251784 JSFGKVARARWDPW-UHFFFAOYSA-N 336.399 1.603 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)CN2CCCCC2)n1 257268639 MMNXJSUMYYRROP-CQSZACIVSA-N 333.436 1.213 0 40 EDAB CNC(=O)CN1CCC[C@@H](c2nccnc2Nc2nc(C)cs2)C1 257215684 CRFBCSKVBVTQLC-GFCCVEGCSA-N 346.460 1.911 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cc(C)no3)CC2)C[C@H](O)C1(C)C 257213563 CICOCXRBPTVPRI-HNNXBMFYSA-N 349.431 1.597 0 40 EDAB O=C(c1cc(-c2cccs2)n[nH]1)N1CC(Nc2ncccn2)C1 253470888 ADTVNMQSTOEJSN-UHFFFAOYSA-N 326.385 1.865 0 40 EDAB CNc1ncccc1CN1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257238409 HKWPWDLNFDHMDM-NSHDSACASA-N 335.433 1.239 0 40 EDAB CNC(=O)c1cc(C)nc([C@]2(C)CCCN2Cc2cncn2C)n1 257250972 JOURPLMBNMCGCM-KRWDZBQOSA-N 328.420 1.389 0 40 EDAB Cc1oc2c(c1C(=O)N1CC[C@@](O)(CN3CCOCC3)C1)CCCC2 257307526 SZBSDCMCLKRAMI-LJQANCHMSA-N 348.443 1.376 0 40 EDAB COc1ccc2[nH]c(CN3CCO[C@](C)(C(=O)N(C)C)C3)cc2c1 257251467 JQWYUCFKPUPAAO-SFHVURJKSA-N 331.416 1.856 0 40 EDAB C[C@@H](CNC(=O)CSCC(=O)O)c1ccc(S(C)(=O)=O)cc1 600878005 NGPAEKQUBKFGAW-JTQLQIEISA-N 345.442 1.128 0 40 EDAB COC[C@@H](C)n1ccc(NC(=O)NC[C@@H](O)c2cc(C)cc(C)c2)n1 390835829 ZEPRYJBCINCFPK-GDBMZVCRSA-N 346.431 2.562 0 40 EDAB COCn1nc(C)c(S(=O)(=O)NCCc2cccc(C)c2)c1C 390833741 MEHMBEXPCXGTME-UHFFFAOYSA-N 337.445 1.933 0 40 EDAB CCn1cc(C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cn1 575410740 DPKUPZQWCIUOLO-NSHDSACASA-N 325.365 1.844 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1ccnc(N2CCCC2=O)c1 575609663 ZHFDYCYWCLUMOH-UHFFFAOYSA-N 327.388 1.489 0 40 EDAB O=C(Cc1cccs1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 575414352 FZEJNGMJZITDKK-LLVKDONJSA-N 328.401 1.123 0 40 EDAB CN1CCN(c2ncnc3c2CCN(C(=O)C2(F)CCC2)CC3)CC1 585110493 LJHYGLSZPDBRBG-UHFFFAOYSA-N 347.438 1.048 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)Cn1cccn1 585178727 CZQSNYRFDCMINK-INIZCTEOSA-N 342.399 1.324 0 40 EDAB CCc1ccc([C@H]2COCCN2C(=O)NCCc2ccn(C)n2)o1 680630484 NIJBMGBYKUYVPE-OAHLLOKOSA-N 332.404 1.901 0 40 EDAB C[C@H](C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1)n1cncn1 45526324 OLJUHTVAHUXPPV-LLVKDONJSA-N 349.341 1.102 0 40 EDAB N[C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3nc[nH]c4nccc3-4)C2)C1 1549293093 RJXVBBLRWMODEP-OUCADQQQSA-N 329.404 1.268 0 40 EDAB CS(=O)(=O)NCCCNCc1sccc1Br 97378268 QQZMSXWIIVWADX-UHFFFAOYSA-N 327.269 1.540 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75123218 KVSRKRVVORPITC-QMMMGPOBSA-N 329.282 1.800 0 40 EDAB O=C(c1ccncc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 301861052 ABBJURGJAYFOGV-UHFFFAOYSA-N 337.305 1.853 0 40 EDAB O=C([C@@H]1CCCN1Cc1cnc2cnccn12)N1CCSCC1 92672241 SKWCLEZQUZSZTC-AWEZNQCLSA-N 331.445 1.269 0 40 EDAB [N-]=[N+]=NCCOCCOCCOCCN1C(=O)c2ccccc2C1=O 196412962 BEELPXILEIOFRO-UHFFFAOYSA-N 348.359 1.643 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCCN1C[C@H](O)CN1CCCC1=O 77657974 ZWGLEXJBTRHTOD-HKUYNNGSSA-N 345.487 1.566 0 40 EDAB CCOc1cc(C(=O)N[C@H]2CCCc3cnn(CCOC)c32)on1 1615044299 QPLFRTWINTYMEX-LBPRGKRZSA-N 334.376 1.724 0 40 EDAB CCN(CC)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 5952333 NOZAYZLPEVOHRR-UHFFFAOYSA-N 344.433 1.338 0 40 EDAB CCN(CC)C(=O)CSc1nnnn1-c1cccc(C(=O)OC)c1 1361310 NAEUGVHKIUMYLO-UHFFFAOYSA-N 349.416 1.409 0 40 EDAB Cc1noc(CCCNC(=O)c2ccc(O[C@H]3CCOC3)nc2)n1 225710632 XBPGDFFCJCQCOP-ZDUSSCGKSA-N 332.360 1.303 0 40 EDAB COc1ccccc1C1(CNc2ncccc2S(N)(=O)=O)CC1 524302423 PJBXYAIWRZCGJD-UHFFFAOYSA-N 333.413 1.881 0 40 EDAB C[C@H]1CCCCN1C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 5272506 FFDXWUNUGYHZIC-LBPRGKRZSA-N 336.413 1.622 0 40 EDAB CN([C@H]1CCN(c2ncnc(C3CC3)c2F)C1)S(=O)(=O)C1CC1 1888849799 NFIRXFRYKZTLSR-NSHDSACASA-N 340.424 1.496 0 40 EDAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)c2cc[nH]n2)C3)nc1 1888866767 IWQZWACLMHIPCJ-GUYCJALGSA-N 327.388 1.829 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)nc(C2CC2)n1 1888875839 MIPGNVLWICUOIP-OAHLLOKOSA-N 344.415 1.126 0 40 EDAB Cn1cnc2c(N3CCN(c4ncnc5ccccc45)CC3)ncnc21 1888922043 UCRVEUSWXIGANJ-UHFFFAOYSA-N 346.398 1.633 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N[C@@H](C)[C@H]3CCCO3)cnc12 27883689 OYOLGJSIJCLZDK-DZGCQCFKSA-N 329.400 1.779 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)COc3ccc(F)cc3)C2)n1 1775985876 FNOUKHUCJGUFCR-UHFFFAOYSA-N 331.347 1.228 0 40 EDAB O=C(NCC1(O)CSCCSC1)[C@H]1COc2ccccc2O1 1889004011 LTYFKJIUQCOXBD-CYBMUJFWSA-N 341.454 1.154 0 40 EDAB O=C(c1ccc(C(F)(F)F)nc1)N1CC(N2C(=O)CCC2=O)C1 238870393 MTKKLPXBRHLQAC-UHFFFAOYSA-N 327.262 1.074 0 40 EDAB CCOc1nccn2c(CNC(=O)c3cccc(N(C)C)c3)nnc12 245070470 QLCQXVTZBYMVMY-UHFFFAOYSA-N 340.387 1.519 0 40 EDAB O=S1(=O)CC[C@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 44457612 SHSKAJZWFMBCMH-MRVPVSSYSA-N 341.813 1.192 0 40 EDAB Cc1noc([C@H]2CCC3(CCN(C(=O)CN(C)C(C)C)CC3)O2)n1 1614946723 OSZJPFAULGRZHJ-CQSZACIVSA-N 336.436 1.931 0 40 EDAB Cn1nc(Cn2cccn2)c2c1CN(C(=O)Cc1ccc(F)cn1)C2 1565548124 SLGNKTKIAMOGLY-UHFFFAOYSA-N 340.362 1.284 0 40 EDAB C=CC(=O)Nc1cc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)ccc1F 1587599067 UIQXNQBBFSJRAU-JTQLQIEISA-N 338.360 1.837 0 40 EDAB CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@@H]1c1ccc(OCC)cc1 34913 RTHGUBBFBMTXGH-MRXNPFEDSA-N 348.399 1.981 0 40 EDAB O=C(O)[C@@H]1CS[C@@H](c2ccc([C@H]3N[C@H](C(=O)O)CS3)cc2)N1 4625503 ARVKFUAPAAJAPI-BJDJZHNGSA-N 340.426 1.263 0 40 EDAB Cc1cc(NC(=O)C(=O)NCC[C@@H](CCO)c2ccsc2)no1 575605556 BHNGNWIXIMHLCI-NSHDSACASA-N 337.401 1.656 0 40 EDAB CCCc1nnsc1C(=O)NC[C@@]1(O)CCOc2ccccc21 75158108 TUDDLLUCNODHIA-INIZCTEOSA-N 333.413 1.891 0 40 EDAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](O)c1ccoc1 75171872 PZDQXBQYTIPALG-ZDUSSCGKSA-N 325.386 1.917 0 40 EDAB C[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc(F)cc1 9342521 KMEUOYIKUOXLLU-GFCCVEGCSA-N 328.409 1.895 0 40 EDAB CC(C)N1C[C@@H](C(=O)NCCCN(C)Cc2ccccc2)CC1=O 40073826 ATDIHFRDFHUKFH-KRWDZBQOSA-N 331.460 1.882 0 40 EDAB CCCNC(=O)CN(CCC)C(=O)N[C@@H]1CCCc2c1cnn2C 50147380 FOFUZZYVHRDIFS-CQSZACIVSA-N 335.452 1.745 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2cccc(OC(F)F)c2)n(C)c1=O 50234866 WOFSOHOORVDBDG-UHFFFAOYSA-N 336.298 1.083 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)NCc1ccc2c(c1)OCO2 31030229 PJNDJTLLMPUPNN-UHFFFAOYSA-N 329.360 1.295 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NC2=NCCS2)cc(C)c1C 40465301 SPYSTAKVSHXKEC-UHFFFAOYSA-N 327.431 1.044 0 40 EDAB CC(=O)Oc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 30300 WSYVFFFBJSHXQA-UHFFFAOYSA-N 334.353 1.512 0 40 EDAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(N(C)C)cc1 226585 ZWIFWWZXULZSPI-MANSERQUSA-N 331.412 1.970 0 40 EDAB CNC(=O)CS(=O)(=O)Cc1csc(CCc2ccccc2)n1 83881840 OVEOHPFDRRDAMZ-UHFFFAOYSA-N 338.454 1.589 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@H](C)c3ccncc3)CC2)on1 45562374 QGRCBFVXWYVFPS-CQSZACIVSA-N 329.404 1.966 0 40 EDAB NC(=O)C1CCN(CCC(=O)Nc2ccnn2C2CCCC2)CC1 28851917 SZPUFSGWSAHNPZ-UHFFFAOYSA-N 333.436 1.524 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)CN2CCOCC2)c1C 40535737 FEZTWQJQUISSRE-NSHDSACASA-N 337.420 1.259 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3O)cn2)C[C@@H](C)O1 40535741 MZNAVFZLAUDPSL-BETUJISGSA-N 342.399 1.726 0 40 EDAB COc1ccc(NC(=O)c2snc3c(=O)[nH]cnc23)cc1OC 6493633 AQNYJFRQPKHTGB-UHFFFAOYSA-N 332.341 1.649 0 40 EDAB NC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1 21222544 DJNSAEPEWROYNI-UHFFFAOYSA-N 326.356 1.269 0 40 EDAB O=S(=O)(N1CCCC1)N1CCN(Cc2cccc(F)c2)CC1 32777726 JOTJTNZOAQLQQS-UHFFFAOYSA-N 327.425 1.284 0 40 EDAB CCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2noc(C)n2)cc1 46159421 AIUVYBXRVOWNIX-SNVBAGLBSA-N 337.401 1.882 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 32889683 CKOXSOLIXMTWGE-UHFFFAOYSA-N 327.388 1.279 0 40 EDAB CCN1C(=O)C2(c3ccccc31)N1CC3(C)CN2CC(CC)(C1)C3=O 96551160 ASGHEZRYOYZSEK-UHFFFAOYSA-N 339.439 1.823 0 40 EDAB biogenic Cc1ncc(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)s1 71910599 BMJWKXZVJMIIGN-UHFFFAOYSA-N 330.413 1.513 0 40 EDAB COC(=O)[C@@H](NS(=O)(=O)c1cnc2onc(C)c2c1)C(C)(C)C 71914028 RCQMWSRTHXYITC-LLVKDONJSA-N 341.389 1.397 0 40 EDAB C[C@@H]1C[S@@](=O)CCN1C(=O)CCc1nc(-c2ccsc2)no1 71916599 WGOQVPQBMIIWCT-ZQJOYCHOSA-N 339.442 1.710 0 40 EDAB C[C@H]1CN(C(=O)COCC2CC2)[C@@H](C)CN1C(=O)COCC1CC1 71921221 GGOHPRIMWOXSPP-KBPBESRZSA-N 338.448 1.287 0 40 EDAB COc1ccccc1C(=O)N1CCN(C(=O)c2cnccn2)CC1 33202448 DYTRRFZHWYYLIY-UHFFFAOYSA-N 326.356 1.083 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 22189609 DEFNXYOIKVIGQR-TXEJJXNPSA-N 326.418 1.153 0 40 EDAB COc1cc2ncnc(SCC(=O)N3CCOCC3)c2cc1OC 12249727 TXZQNWDWQUWTFE-UHFFFAOYSA-N 349.412 1.598 0 40 EDAB O=C(NCc1ccco1)c1cc(Br)ccc1-n1cnnn1 12391373 KIQMKWSBANCVTC-UHFFFAOYSA-N 348.160 1.948 0 40 EDAB COc1ccc(-c2ccc(=O)n(CC3(O)C[C@H]4CC[C@H](C3)N4)n2)cc1 100736820 SGVXZVMFSRFPEU-HUUCEWRRSA-N 341.411 1.564 0 40 EDAB Cc1cccc(NC(=O)[C@H]2CCCN(CC(=O)NCC(C)C)C2)n1 47260934 BBLIPVQVULLAJM-HNNXBMFYSA-N 332.448 1.813 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccnc(-n2cncn2)c1)c1ccco1 54705676 HKCLNKJQSQUENA-ZDUSSCGKSA-N 326.360 1.288 0 40 EDAB C[C@H](NC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)[C@H]1CCCO1 106090931 RLAKQBCNDOGYNO-IJEWVQPXSA-N 348.447 1.673 0 40 EDAB Cc1c(OCC(=O)N2CCNC2=O)ccc2c3c(c(=O)oc12)CCC3 61720384 RXGFOIZRQODWTH-UHFFFAOYSA-N 342.351 1.521 0 40 EDAB OC[C@@H]1CCCN1c1cc(NC[C@H](O)c2cccc(F)c2)ncn1 106905962 DMZSJLTZIFFHLL-GJZGRUSLSA-N 332.379 1.722 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1S(C)(=O)=O 43928786 PTJMMJGYGWSTBI-SNVBAGLBSA-N 327.406 1.126 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)C[C@H]1Sc2ccccc2NC1=O 47931691 AKECZXJSJSZIOU-BXUZGUMPSA-N 330.413 1.891 0 40 EDAB O=C1CN(C2CCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 57738257 SWYCQLUVPXHQLQ-HOTGVXAUSA-N 334.441 1.443 0 40 EDAB COc1ccnc(N2C[C@@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)n1 67897359 IKIWVRBWTRAYKO-CABCVRRESA-N 340.383 1.101 0 40 EDAB biogenic,in-vitro CC(C)NC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 58157723 MHZJOIXNGNSVNO-INIZCTEOSA-N 344.411 1.531 0 40 EDAB Cc1ccc(NS(C)(=O)=O)c(C(=O)NCCC(=O)NC(C)C)c1 58266105 PNPHPFDWJVWORF-UHFFFAOYSA-N 341.433 1.011 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cncn1-c1ccc(F)cc1 44907993 MHAUMUKUJPGXHX-LLVKDONJSA-N 337.376 1.176 0 40 EDAB NS(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C2)ccc1F 44935047 OMXYGDIGNOBCIT-UHFFFAOYSA-N 334.372 1.672 0 40 EDAB C[C@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1ccc2[nH]c(=O)[nH]c2c1 58328995 JNUVQTOHXHZJLC-NSHDSACASA-N 348.366 1.928 0 40 EDAB CC1CCN(c2ccc(CNC(=O)c3nccnc3N)cn2)CC1 58393448 IBYXLJYLPJIDOE-UHFFFAOYSA-N 326.404 1.620 0 40 EDAB COc1cc(/C=C/C(=O)N[C@H](C)C(=O)N2CCOCC2)cc(OC)c1 58354835 JGOAQUPSARYUTR-MUBLQREKSA-N 348.399 1.081 0 40 EDAB Cc1noc(C)c1CC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 10994591 LWVIBBIHXOHMMH-AWEZNQCLSA-N 334.397 1.869 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc2c1C(=O)NC2=O 3307138 UCDXXHVOKZXRGX-FNORWQNLSA-N 336.303 1.951 0 40 EDAB C[C@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 12915737 CCKCWQOZCKLXDB-COPLHBTASA-N 344.864 1.682 0 40 EDAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1F 69218971 XITLSVGCVHCGTI-MRXNPFEDSA-N 349.406 1.396 0 40 EDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCSCC1 49213260 HYPWARCVKZFSAT-UHFFFAOYSA-N 325.434 1.207 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 409388030 BULGMUNCYPEJIU-UHFFFAOYSA-N 338.360 1.751 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)NCc2ccccn2)c1 65433921 ZFJBHDHWVWCMMU-OAHLLOKOSA-N 331.372 1.632 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1(c2ccccc2)CC1 69518561 LGINIEGAVVPKMO-QGZVFWFLSA-N 343.471 1.777 0 40 EDAB CC(C)n1cc(CN2CCCN(C(=O)c3nccnc3N)CC2)cn1 69559623 KPFGFFIFZALUMN-UHFFFAOYSA-N 343.435 1.184 0 40 EDAB C[C@H](C(=O)NC(N)=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 69529487 MYISIBROWDHTHM-SNVBAGLBSA-N 336.367 1.060 0 40 EDAB CC(C)C(=O)NCCNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 69582435 NEFLXWQTVWLATP-OAHLLOKOSA-N 346.431 1.571 0 40 EDAB O=C(NCCN1CCOCC1)c1ccc(OCc2ccccc2)nc1 65626825 XQMHORGNCMGANX-UHFFFAOYSA-N 341.411 1.723 0 40 EDAB C[C@@]1(C(=O)Nc2cccc(-n3cnnn3)c2)Cc2ccccc2C(=O)O1 5486819 SJTILXWFZPISBP-SFHVURJKSA-N 349.350 1.773 0 40 EDAB Cn1cc(C(=O)N2CCC(C(N)=O)CC2)c(=O)c2cc(F)ccc21 22236398 ULKGNQCXQYUMRK-UHFFFAOYSA-N 331.347 1.015 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1cccc(CN3CCCC3)c1)C2 69659354 QADLAKBXSXCFLO-UHFFFAOYSA-N 325.416 1.838 0 40 EDAB CN(C)C(=O)[C@H](c1ccccc1)N1CCN(Cc2nccn2C)CC1 69662730 QNCIGSFKRALEAJ-SFHVURJKSA-N 341.459 1.367 0 40 EDAB COc1ccc(-c2nnc(CN3CCN(C[C@@H](C)O)CC3)o2)cc1 69652564 KOTGTOZOGNRUTI-CYBMUJFWSA-N 332.404 1.244 0 40 EDAB O=C(NC[C@H]1CCOC1)NC1CCN(CCc2ccncc2)CC1 69657526 PSXFAYRZVGXRPB-MRXNPFEDSA-N 332.448 1.424 0 40 EDAB O=C(Nc1ccncc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 17583807 YKGSICJNWHSLBI-GFCCVEGCSA-N 339.351 1.844 0 40 EDAB CCN1CC[C@H](N(C)C(=O)Cn2cc(Br)ccc2=O)C1 69778668 KWUNRPWWUHEBJC-LBPRGKRZSA-N 342.237 1.163 0 40 EDAB O=C(CNC(=O)N1CCc2ccccc2C1)NC1CCSCC1 69741688 WLQPQRLETVXLLD-UHFFFAOYSA-N 333.457 1.766 0 40 EDAB O=S(=O)(Nc1cccnc1N1CCOCC1)c1cccc(F)c1 69709588 ZPWFWYHEILLJNM-UHFFFAOYSA-N 337.376 1.858 0 40 EDAB Cc1ccc(C(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1 4829812 AEFRSKQOQCJQGR-LLVKDONJSA-N 326.356 1.186 0 40 EDAB COc1ncccc1CNC(=O)Nc1ccc2oc(=O)n(C)c2c1 69808740 RYQJGKSWYTXMIY-UHFFFAOYSA-N 328.328 1.857 0 40 EDAB C[C@H]1Cc2ccccc2N1CC(=O)NCC(C)(C)N1CCOCC1 15255618 WFFKWPYDFZPOHU-HNNXBMFYSA-N 331.460 1.665 0 40 EDAB O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccccc1OC(F)F 15481569 RFDPHHOLTLQKMR-UHFFFAOYSA-N 338.266 1.772 0 40 EDAB Cc1ccc(C)c(NC(=O)CN(C)CC(=O)NC(=O)NC(C)(C)C)c1 7191778 NAFTZEKZWINXEL-UHFFFAOYSA-N 348.447 1.798 0 40 EDAB COC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cnccn2)cc1 69975761 CYHLCQQWFBLYHD-VOTSOKGWSA-N 341.323 1.458 0 40 EDAB O=C(OCc1cc(=O)n2ccccc2n1)c1ccc2nccnc2c1 15748130 FSUJMRYETNZIOS-UHFFFAOYSA-N 332.319 1.995 0 40 EDAB C[C@H](Sc1ccc2c(c1)CCC2)C(=O)N[C@H]1CCS(=O)(=O)C1 8745305 SEZPLCTUNIEFAX-FZMZJTMJSA-N 339.482 1.959 0 40 EDAB CCNC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C 8774573 NVOXWWONWBNDFB-LBPRGKRZSA-N 334.401 1.556 0 40 EDAB C[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16022290 FWNYGABLTFFVSY-CIIVYKKGSA-N 345.374 1.365 0 40 EDAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc[nH]n1 71053242 HEVPPXLCJQPZBB-LBPRGKRZSA-N 338.289 1.964 0 40 EDAB COC(=O)c1ccc(NC(=O)c2c(O)c3c([nH]c2=O)CCCC3)cc1 9044451 SWRAHRKRUVDNCG-UHFFFAOYSA-N 342.351 1.998 0 40 EDAB O=C(NCc1ccc(Cn2cncn2)cc1)N1CCN(C2CC2)CC1 89787864 PNDBSHVOSSVAFT-UHFFFAOYSA-N 340.431 1.316 0 40 EDAB Cc1nc(SCCc2c(C)nc3n(c2=O)CCCC3)[nH]c(=O)c1C 20745645 OJXNJNRKVBNQMB-UHFFFAOYSA-N 346.456 1.923 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)[nH]n1 96005323 YBZMWCLMUKUMCF-CYBMUJFWSA-N 340.449 1.185 0 40 EDAB COc1ccc(CNC(=O)c2ccc(C(N)=O)s2)cc1C(=O)O 83953001 LVTJQUHRUODSDL-UHFFFAOYSA-N 334.353 1.484 0 40 EDAB O=C(NCc1ccccc1F)[C@@H](Cc1ccccc1)n1cnnn1 71782762 LHKWLVNAODQZSO-MRXNPFEDSA-N 325.347 1.912 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2cccc(S(C)(=O)=O)c2)cn1 71797019 FALYHMVHLZXSKK-HNNXBMFYSA-N 333.413 1.801 0 40 EDAB Cn1cc([C@@H]2CCCN2CC(=O)NCCOc2cccc(F)c2)cn1 71797187 WGWRLUOTNLQMNO-KRWDZBQOSA-N 346.406 1.891 0 40 EDAB O=C(Cn1cnnn1)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 71884467 QFDWPKCURHZOFS-LJQANCHMSA-N 349.394 1.904 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@H]1c1cccc(F)c1 71819356 ORTFGFNPDFZMOM-HNNXBMFYSA-N 340.420 1.220 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCCc2[nH]c(=O)ccc21 71820831 SVBSCVYJBGNUNH-CQSZACIVSA-N 326.352 1.840 0 40 EDAB COc1ccc(OC)c(C(=O)N2CCN(Cc3noc(C)n3)CC2)c1 71882370 RPMZKWKVVZONCF-UHFFFAOYSA-N 346.387 1.353 0 40 EDAB Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)C(=O)Nc1ccccc1 83722421 UBRUTAOJOIQXDG-BXUZGUMPSA-N 342.403 1.748 0 40 EDAB O=C1NC[C@H](C(=O)NCc2ccc(COCc3ccccc3)cc2)N1 89836700 AIBZWLWITLMYJY-QGZVFWFLSA-N 339.395 1.701 0 40 EDAB CC(C)c1nc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)no1 89893615 JHNMEGKYMBARFY-UHFFFAOYSA-N 337.343 1.532 0 40 EDAB CC1CCC(N2C[C@H](C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2=O)CC1 72291518 UAOYNUOBZDWAQM-PIOWNMBXSA-N 335.448 1.151 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(C[C@H](O)COc3ccccc3)CCO2)n1 72253477 GROJMNXJFOSZCW-WMZOPIPTSA-N 346.431 1.036 0 40 EDAB O=C(c1cncn1-c1ccccc1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269123 DFFHYRPHWQKUOQ-FUHWJXTLSA-N 340.427 1.544 0 40 EDAB CCOC(=O)c1nn(CC(=O)c2ccc[nH]2)c2ccccc2c1=O 72275015 ABQWLXWCLFTORR-UHFFFAOYSA-N 325.324 1.784 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cnc4[nH]nc(C)c4c3)C2)n1 72235467 VCLJASWTGOKZJA-CQSZACIVSA-N 339.403 1.952 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 97018992 IZMZVPHEVYHMHX-CABCVRRESA-N 345.447 1.735 0 40 EDAB COc1cccc(CS(=O)(=O)N[C@H](C)CN2CCCCC2)c1 97104207 ANOIGALJLGEKFB-CQSZACIVSA-N 326.462 1.989 0 40 EDAB C[C@@H](O)CNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 97177875 AKMCTQWIVFBQQF-GFCCVEGCSA-N 328.347 1.913 0 40 EDAB O=C(Nc1ccc(-n2nccn2)cc1)N[C@@H](CO)Cc1ccccc1 97414176 LYWPYUBRRVBEFP-MRXNPFEDSA-N 337.383 1.992 0 40 EDAB CC[C@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1N1CCOCC1 84735830 SYWFJEGCUMTCLJ-DOTOQJQBSA-N 334.464 1.230 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)C[C@H]2CCS(=O)(=O)C2)no1 76043966 KMUZEHRJJKMKOH-GHMZBOCLSA-N 327.406 1.120 0 40 EDAB Cc1[nH]ccc1C(=O)N(C)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 95409684 NAPWOKVARFZTOZ-HNNXBMFYSA-N 325.368 1.723 0 40 EDAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3ccncc3)CC2)s1 78737239 SRGCTXOTVOOXEZ-UHFFFAOYSA-N 344.440 1.848 0 40 EDAB Cc1cc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)on1 95947611 DBLKHCYQHXBDFV-UHFFFAOYSA-N 330.436 1.619 0 40 EDAB CC(C)(C)c1nnc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)o1 78900527 FQTKSCFJHGPDJF-SNVBAGLBSA-N 332.408 1.569 0 40 EDAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCO[C@H](Cn2cncn2)C1 75132037 JRWNRNIKZBGUIA-RDJZCZTQSA-N 343.431 1.199 0 40 EDAB COCC(=O)N1CC[C@@]2(C1)OCc1cnc(Nc3ccccc3)nc12 306132206 LBPXFCGUPIKRDR-SFHVURJKSA-N 340.383 1.824 0 40 EDAB CC(C)C(C)(C)CNC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1548451857 LOUSQDOBWFHKSS-UHFFFAOYSA-N 346.493 1.658 0 40 EDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2ncnc3n[nH]cc23)C1 547681385 UWPZCXTTWNCPJB-OAHLLOKOSA-N 343.416 1.360 0 40 EDAB COCCNS(=O)(=O)c1ccc(NCC(C)C)c(C(=O)O)c1 217596181 YHKLITFSXALOLK-UHFFFAOYSA-N 330.406 1.377 0 40 EDAB CN(CC(F)(F)F)C(=O)CN1CCC(CN2CCCCC2=O)CC1 72663908 DCDUNPRRTIQSCH-UHFFFAOYSA-N 349.397 1.732 0 40 EDAB Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NS(=O)(=O)c2ccccc2)cc1 72321684 QZKQKAFQACDNBS-BRSBDYLESA-N 347.436 1.551 0 40 EDAB biogenic,in-vitro Cc1sc(=O)n(CCC(=O)NC[C@H](O)c2ccsc2)c1C 77616016 VURMZIIMBKRASH-LBPRGKRZSA-N 326.443 1.828 0 40 EDAB O=C([C@H](c1ccccc1)n1cnnn1)N1CCO[C@@H](c2ccccc2)C1 79494331 DWXVPFZDYBUWLU-MSOLQXFVSA-N 349.394 1.863 0 40 EDAB CC(C)(C(=O)Cn1cc(S(C)(=O)=O)ccc1=O)c1ccccc1 566008990 VMQNDPLHOAQLTN-UHFFFAOYSA-N 333.409 1.799 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2c(F)cccc2F)C1 78602825 RXEPKPJGFZNADN-LLVKDONJSA-N 341.358 1.130 0 40 EDAB O=C(COC(=O)c1cc2c([nH]c1=O)CCC2)NC(C1CC1)C1CC1 61449968 NIBUTMSJSPTFJE-UHFFFAOYSA-N 330.384 1.325 0 40 EDAB CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225675545 LPFCPPOPYMIKSF-UHFFFAOYSA-N 344.458 1.693 0 40 EDAB CCn1cc(S(=O)(=O)NC(=O)c2cccc(Cl)c2C)cn1 225620591 JMJSSWSKUSDJIR-UHFFFAOYSA-N 327.793 1.984 0 40 EDAB O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc[nH]c1=O 44836792 RBZATVWNEZCKQD-UHFFFAOYSA-N 341.279 1.511 0 40 EDAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCCCOC 222976012 SPZRHRQNZAVRQH-CQSZACIVSA-N 336.432 1.975 0 40 EDAB CCn1cc(Cl)c(C(=O)NCc2nc(-c3cc[nH]c(=O)c3)no2)n1 225801135 PHZNYDZWTCAKAD-UHFFFAOYSA-N 348.750 1.225 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@@H](C)Oc1ccn(-c2ccccc2)n1 226853154 DDOAKLYIAAKCBC-CQSZACIVSA-N 344.415 1.671 0 40 EDAB Cc1cccc2c1cnn2CCCNC(=O)[C@H]1CSCCC(=O)N1 226753246 KBYIUKUVCVPPGI-CQSZACIVSA-N 346.456 1.473 0 40 EDAB Cc1noc(-c2ccn3c(CNC(=O)Cc4cccnc4)nnc3c2)n1 225745912 VUCPCYQEELFUFH-UHFFFAOYSA-N 349.354 1.342 0 40 EDAB CN(CC(=O)O)S(=O)(=O)c1cc(C(=O)O)sc1C(C)(C)C 581610814 DGBFLBCWXICTHZ-UHFFFAOYSA-N 335.403 1.449 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@]3(CCN(C)C3)C2)cc1F 96201966 KWLFDKIKRZSFLK-MRXNPFEDSA-N 342.436 1.477 0 40 EDAB CN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1COCCO1 96423837 UCKZCVOYRYWCAZ-SFHVURJKSA-N 344.411 1.943 0 40 EDAB O=C(c1ccoc1)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96048365 GMFHRPKMJHWSNX-WMLDXEAASA-N 328.372 1.945 0 40 EDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCN(C(=O)NC3CC3)C2)C1 96226054 LDHOFRWOIRRSCY-MRXNPFEDSA-N 329.360 1.113 0 40 EDAB O=C(C[C@H]1CO[C@@H]2CN(c3ccncn3)C[C@@H]21)NCc1ccco1 96216406 XKTGKZZNGOVAQL-NWANDNLSSA-N 328.372 1.227 0 40 EDAB CSc1ccc([C@@H](O)CNS(=O)(=O)c2cn(C)cn2)cc1 96103228 WLNOKSSZEKJCPC-LBPRGKRZSA-N 327.431 1.154 0 40 EDAB C=CC(=O)Nc1ccc(C(=O)N[C@H]2CCCn3nc(C)nc32)cc1 81580642 TYGFBSYPXVUMRY-AWEZNQCLSA-N 325.372 1.976 0 40 EDAB CCc1cnc(CNC(=O)N[C@@H](C)C(=O)NCc2ccco2)s1 96439679 DAZJQXPBTQLZDU-JTQLQIEISA-N 336.417 1.803 0 40 EDAB COc1cccc(N2C[C@]3(CCN(C(=O)CN(C)C)C3)CC2=O)c1 96077489 LVUICFFGOHRVNH-GOSISDBHSA-N 331.416 1.212 0 40 EDAB COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccccc3C)C[C@@H]2C1 96080939 AFMBRHIHIKEHNO-IAGOWNOFSA-N 330.428 1.838 0 40 EDAB CCC[C@@H](C)NC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96266086 DJYBUZGKYIRKKM-LLVKDONJSA-N 348.428 1.583 0 40 EDAB O=C(CC1CC1)N[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]2CCCO[C@@H]21 96057129 GQZCFLDPCDTPGU-LXZKKBNFSA-N 332.400 1.816 0 40 EDAB O=C(NCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)c1cccs1 237971115 BSOXEJZDOFVSIL-SRVKXCTJSA-N 336.413 1.722 0 40 EDAB Cc1nnnn1-c1cc(NCC(=O)N(C)CC(F)(F)F)ccc1F 96452713 GILYIFPAYSESTB-UHFFFAOYSA-N 346.288 1.542 0 40 EDAB CC(=O)N1CCCN([C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 245266646 KKPNXILIVVSPCJ-UDCKQINGSA-N 335.492 1.870 0 40 EDAB Cc1ccc(CN2Cc3ccnn3[C@@H](CC(=O)N3CCCO3)C2)o1 248126323 XBJRRNKCJCCSDU-HNNXBMFYSA-N 330.388 1.895 0 40 EDAB CCCn1cc(-c2cnc([C@@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1 257276244 NSYZMOBMRYRIQS-CYBMUJFWSA-N 349.460 1.889 0 40 EDAB Cc1c[nH]c([C@@H]2CN(S(=O)(=O)c3ccccc3F)CCO2)n1 257245410 IPIWXMAOBVVSCL-LBPRGKRZSA-N 325.365 1.619 0 40 EDAB NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NC1CCCCC1 585121317 LVYDUNMXQBDRBQ-AWEZNQCLSA-N 335.379 1.248 0 40 EDAB Cc1noc([C@@H]2CN(C(=O)c3c(Cl)ccnc3C)CCN2C)n1 585126222 SRVHPJLORZMHAF-LBPRGKRZSA-N 335.795 1.864 0 40 EDAB CC1(C)CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)[C@H]1[C@@H]1CCCO1 585122111 NYGCIAIJDAGRES-STQMWFEESA-N 328.376 1.291 0 40 EDAB Cc1[nH]ncc1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 68080470 NZBVJQCXRGHIKA-UHFFFAOYSA-N 330.363 1.846 0 40 EDAB C[C@]1(O)CN(C(=O)CCn2ccnc2)CC[C@@H]1Oc1ccccc1 257239812 HQXHXIGDXFOBKT-WMZOPIPTSA-N 329.400 1.704 0 40 EDAB O=C(Nc1ccccc1)NC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 262748398 JBLRUNWPAGQANN-KBPBESRZSA-N 331.372 1.520 0 40 EDAB CC(C)(C)OC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C[C@@H]1O 265540629 KPKXBGLKFPRIOJ-MAUKXSAKSA-N 336.432 1.509 0 40 EDAB Cc1ccc2c(c1)nc(CNC(=O)Nc1nccn(C)c1=O)n2C 282698559 SOQZHCMXUGRJCT-UHFFFAOYSA-N 326.360 1.297 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cscn3)[C@H]2C1 575406329 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Cc1c(OCC(=O)NCCCO)ccc2c3c(c(=O)oc12)CCC3 5244334 URWKYKLKJXGRSP-UHFFFAOYSA-N 331.368 1.468 0 40 EDAB COc1ccccc1OCCN(C)C(=O)c1cnc(N(C)C)nc1 12290596 WGLCFJZRGCIPAE-UHFFFAOYSA-N 330.388 1.702 0 40 EDAB CCNS(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1 16740479 MFRMKFZSIHKPOJ-UHFFFAOYSA-N 339.461 1.799 0 40 EDAB CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCC3)ncc2C1 19018459 ORTYFUMLECURDF-INIZCTEOSA-N 328.416 1.845 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC[C@@H](c2cc3cccnc3c(=O)[nH]2)C1 19347203 QCNUFBITADBBPM-HIFRSBDPSA-N 327.384 1.808 0 40 EDAB O=C(Cc1ccccc1F)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 19348056 VWXCMDUXBKYSDY-AWEZNQCLSA-N 340.402 1.820 0 40 EDAB C[C@@H]1Cc2cc([C@@H](O)CN3CCCCC3)ccc2N1S(C)(=O)=O 19497863 VGCPWXJXJIRKQZ-DYVFJYSZSA-N 338.473 1.917 0 40 EDAB COC(=O)COc1ccc(NC(=O)[C@H]2CCC(=O)N2)c2ccccc12 268203657 BEVLXWKPLHXDSM-CQSZACIVSA-N 342.351 1.609 0 40 EDAB CCOc1ccccc1OCc1nnc2n1CC[C@H](C(=O)OC)C2 601043586 FAELWCDSIWQTLM-LBPRGKRZSA-N 331.372 1.991 0 40 EDAB COC(=O)c1ncnc(N2CCC[C@](O)(C(F)(F)F)CC2)c1OC 603377001 TYAKJGUPDJGKSC-CYBMUJFWSA-N 349.309 1.556 0 40 EDAB COCCOc1ncccc1CNC(=O)[C@H]1C(=O)NC[C@@H]1C(C)(C)C 606440708 TWMJDZIXPJQVQT-KBPBESRZSA-N 349.431 1.131 0 40 EDAB CO[C@@H]1CN(CC(=O)N2CCCC2)C[C@]12C[C@@H](c1ccccc1)CO2 643588513 XRLYIOUWUKIELI-QWFCFKBJSA-N 344.455 1.882 0 40 EDAB NCCN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1 643589546 WGQXBIPQQCTPCI-UHFFFAOYSA-N 345.487 1.949 0 40 EDAB COCc1cn([C@@H]2CCN(C(=O)[C@H]3CCc4ccccc4O3)C2)nn1 585149659 HHVCCAJKKSWJNU-NVXWUHKLSA-N 342.399 1.592 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)c1ccc(-n2cccn2)cc1 1888888186 PJMYWXSNHXAZBN-MRXNPFEDSA-N 339.399 1.686 0 40 EDAB Cc1cc(N2CCN(c3ccnc(C)n3)CC2)nc(N2CCCC2)n1 1889078131 NEUVNCHMKVVNJG-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB CSc1ncccc1C(=O)N1CC(Oc2ccnc(C(N)=O)c2)C1 1889139193 JRIUERRRBMUJDN-UHFFFAOYSA-N 344.396 1.201 0 40 EDAB O=c1cc(N2CCC(COc3cnccn3)CC2)nc2ccccn12 1889139432 WTAJJHYKEQPTSI-UHFFFAOYSA-N 337.383 1.780 0 40 EDAB O=C1COc2ccccc2CCCCO[C@@H]2CN(CC3CC3)C[C@@H]2N1 2037985344 GUCIZRJYUCOHJM-PKOBYXMFSA-N 344.455 1.997 0 40 EDAB C[C@H]1CN(C[C@H]2C[C@@H]3CCN(c4ncccn4)C[C@@H]3O2)C[C@@H](C)O1 2056225079 BCRFXBLKEDTGMX-NNXHMXCWSA-N 332.448 1.570 0 40 EDAB CC(C)[C@H](NC(=O)CCCCCO)C(=O)OCCCCCC(=O)O 2060999817 TXMXRROVYSVFAI-INIZCTEOSA-N 345.436 1.868 0 40 EDAB COc1cnc(O[C@H]2CCN(CC(=O)Nc3cccc(C)c3)C2)nc1 2087067211 YJGSJBBPMASOOV-HNNXBMFYSA-N 342.399 1.885 0 40 EDAB NC(=O)C1CCN(C2=CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 1441159 LBXMWQVHXMBOMZ-UHFFFAOYSA-N 333.775 1.294 0 40 EDAB CCS(=O)(=O)c1cccc(C(=O)Nc2sccc2C(N)=O)c1 5241414 NIMVQGRMWDSLCQ-UHFFFAOYSA-N 338.410 1.893 0 40 EDAB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)N(C)C)c1 10331117 JOKOMZNPPHQLDE-CQSZACIVSA-N 331.372 1.646 0 40 EDAB Cc1cc(N2C[C@H]3CN(c4ncnc5ncn(C)c45)C[C@H]3C2)ncn1 2086865952 CVBDCTZMBOPMDL-BETUJISGSA-N 336.403 1.034 0 40 EDAB Cc1cccc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086883041 YGTMHMKDSZUKNT-ZDUSSCGKSA-N 325.359 1.853 0 40 EDAB CCOc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=CNN32)cc1OCC 4368685 WRZHWCONINMEQM-OAHLLOKOSA-N 343.387 1.503 0 40 EDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccc(F)cc2)nn1 863391523 LQUPIRUIYIJSLM-CQSZACIVSA-N 345.334 1.597 0 40 EDAB Cc1cc2ccccc2n1CC(=O)N1CCC2(CC1)NC(=O)NC2=O 21474843 NMOKMBUSYAVGAW-UHFFFAOYSA-N 340.383 1.150 0 40 EDAB COc1ccc(OC)c(CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 40490369 XMWLIUMUMGYYIV-ZDUSSCGKSA-N 341.429 1.282 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@H](O)COc1ccccc1)C2=O 40465579 HNAGQKGRZALRIN-QWQRMKEZSA-N 332.400 1.927 0 40 EDAB O=C(CCNC(=O)c1cccs1)Nc1cccc(-c2nnn[nH]2)c1 40461288 ZSFYBDKTKAJCEM-UHFFFAOYSA-N 342.384 1.687 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2[nH]c1=O 423467 RVRWNIIUEWJDML-UHFFFAOYSA-N 335.316 1.156 0 40 EDAB CC(C)NC(=O)CCNC(=O)N1CCCN(Cc2ccccc2)CC1 45576221 TVCKZLVDMMUCES-UHFFFAOYSA-N 346.475 1.819 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)C(=O)N[C@H]1CCCCNC1=O 45666116 UDTLZSDQBYCENJ-STQMWFEESA-N 333.388 1.137 0 40 EDAB COc1ccccc1-n1cnnc1SCC(=O)N1CCO[C@@H](C)C1 11425385 SKHQXZPGEJELJG-LBPRGKRZSA-N 348.428 1.615 0 40 EDAB CSCC[C@H](NC(=O)[C@H]1CCC(=O)NC1)c1nc2ccccc2[nH]1 40543637 QBFGZKGTSQCDHL-FZMZJTMJSA-N 346.456 2.000 0 40 EDAB O=C(NCc1cccs1)NC[C@H](O)CN1CCc2ccccc2C1 40541892 ACDJUYQSGUUFKO-INIZCTEOSA-N 345.468 1.967 0 40 EDAB O=C1Nc2ccccc2[C@@]12N=c1ccccc1=C(O)N2Cc1ccco1 20673469 IPFGUKLLRKLQOI-FQEVSTJZSA-N 345.358 1.844 0 40 EDAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN([C@H]2CCCN(C)C2)CC1 71909036 LXNAVYMODIREOC-YJBOKZPZSA-N 348.466 1.865 0 40 EDAB CN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(O)c2)c1 6680250 PLIMEVJKVRQANP-UHFFFAOYSA-N 326.399 1.956 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCOC2)cc1)[C@@H]1CCCO1 71903657 RIUKELUSYBNERG-DOMZBBRYSA-N 339.413 1.614 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)/C=C/c2ccccc2Cl)C1 29206931 DXUXVXVVODTGLO-MMQHEFTJSA-N 342.848 1.893 0 40 EDAB CN(C)C(=O)COc1ccccc1C(=O)Nc1ccc(N(C)C)nc1 21143834 YJEAFKYOJYZBPW-UHFFFAOYSA-N 342.399 1.867 0 40 EDAB CN(C)C(=O)CN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1 71915095 FDIYHYFCBRJLHI-UHFFFAOYSA-N 326.205 1.097 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)c2cc(Cl)ccc2F)n1 10691390 ZOKVXWBQBBATSC-UHFFFAOYSA-N 325.731 1.669 0 40 EDAB Cc1cc(C(=O)OCC(=O)NC(N)=O)c(C)n1Cc1ccccc1 9836870 XISMIRJCGGDIDR-UHFFFAOYSA-N 329.356 1.505 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccccc1 102604698 YAUJOEZIYZSDQI-WRFANHODSA-N 341.363 1.444 0 40 EDAB CNS(=O)(=O)c1cc(NC(=O)[C@H](NC(C)=O)C(C)C)ccc1C 7978884 MYAQHPKRURRFPE-CQSZACIVSA-N 341.433 1.002 0 40 EDAB CN(CC(=O)Nc1nncs1)[C@@H]1CCN(c2ccccc2F)C1=O 71900647 FXZNXMKDPGMSLR-GFCCVEGCSA-N 349.391 1.353 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1C(=O)CN(c2ccccc2)C1=O 103243114 IBJVIOFHICOYAO-XMHGGMMESA-N 341.371 1.122 0 40 EDAB C[C@@H](Sc1nccn1C)C(=O)NC[C@@H]1COc2ccccc2O1 22767080 QCMGJWYDQXTMTF-VXGBXAGGSA-N 333.413 1.857 0 40 EDAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1ccccc1F 22931031 GMIPMAPOXKTYEJ-UHFFFAOYSA-N 348.422 1.004 0 40 EDAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1cccnc1 54099321 ZMHHJCIUEKNLAH-UHFFFAOYSA-N 348.200 1.972 0 40 EDAB O=C(CN1CCN(Cc2nc(-c3cccs3)no2)CC1)NC1CC1 23248577 VCEHJUZJACQTFS-UHFFFAOYSA-N 347.444 1.194 0 40 EDAB COc1ccccc1CNC(=O)CNC[C@@H](c1ccco1)N(C)C 23425333 KKUUXVNWNCLLRA-HNNXBMFYSA-N 331.416 1.797 0 40 EDAB CCn1nnc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)n1 57316395 MLDHOOWMUYZYNX-UHFFFAOYSA-N 348.432 1.855 0 40 EDAB O=C(Nc1ccc(-n2ccnc2)nc1)c1ccc(-n2cnnn2)cc1 25009295 CQBZBEFGHSBCER-UHFFFAOYSA-N 332.327 1.495 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)NCc1ccccc1 102084267 RZTGVAXRTUTHCG-GBALJZQLSA-N 336.391 1.356 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN([C@@H](C(N)=O)c3ccccc3)CCO2)n1 106666001 OCOLUUJRNBETFJ-DLBZAZTESA-N 328.416 1.427 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCCCNC1=O)c1ccc2c(c1)OCCO2 43481504 UGOQRXGWRHQDIB-DGCLKSJQSA-N 333.388 1.487 0 40 EDAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646855 LWDAHNBEEPVMJF-MPNFYUGFSA-N 343.379 1.928 0 40 EDAB CN(Cc1ccncc1)C(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCCO1 106735094 SCIHUEYONFFONH-JKSUJKDBSA-N 331.416 1.600 0 40 EDAB NC(=O)c1cccc(CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)c1 25334309 OCMRIUHIVKLMIV-OAHLLOKOSA-N 339.399 1.108 0 40 EDAB CCc1cc2c(NC3CCN(CC(=O)NC)CC3)ncnc2s1 25579247 WHGCRTOPHAFYOJ-UHFFFAOYSA-N 333.461 1.876 0 40 EDAB CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(C)c(C)s2)CC1 107610786 RNJJCIMLCYWKJK-UHFFFAOYSA-N 337.445 1.176 0 40 EDAB CC[C@H](NC(=O)[C@H]1CCOC1)[C@@H]1CN(Cc2ccccc2)CCO1 108108376 SSUURTWVCQFRBI-BZSNNMDCSA-N 332.444 1.819 0 40 EDAB COC(=O)N1CCC(NC(=O)c2cc3ccccc3c(=O)[nH]2)CC1 57455332 OVVVXEJKEOCSOZ-UHFFFAOYSA-N 329.356 1.489 0 40 EDAB O=C(c1ccco1)N1CCC(Nc2cncc(-n3cccn3)n2)CC1 58159037 RWDIGTOTLUPFRB-UHFFFAOYSA-N 338.371 1.972 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O 10198449 YPHKROGAINOYEY-WCQYABFASA-N 349.822 1.777 0 40 EDAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCCC2)cc1 58201413 WCBFKMZYFHEXLI-UHFFFAOYSA-N 347.458 1.285 0 40 EDAB CC(C)(C)NC(=O)NC(=O)COc1cc(Cl)ccc1C(N)=O 58299107 HMDHETLINMSDMN-UHFFFAOYSA-N 327.768 1.442 0 40 EDAB CCN1C[C@H](C(=O)NCc2cccnc2OCC(F)(F)F)CC1=O 44912841 OVGWQOBFKJXSQD-LLVKDONJSA-N 345.321 1.507 0 40 EDAB COc1cccc([C@H](CNc2nn3c(=O)ccnc3s2)N(C)C)c1 44974559 DYEPRWQWGOQMQO-ZDUSSCGKSA-N 345.428 1.874 0 40 EDAB O[C@H](CNCc1cccc2c1OCO2)CN1CCc2ccccc2C1 47702067 BRMJNVCCQBJDGZ-GOSISDBHSA-N 340.423 1.924 0 40 EDAB CC(C)CN(C1CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 28043830 XZFLDTJBUDRVEC-UHFFFAOYSA-N 331.459 1.899 0 40 EDAB CCOC(=O)NCC(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1 58414130 RANHYTDVCZZOLM-UHFFFAOYSA-N 330.344 1.430 0 40 EDAB CSc1ccc(C)c(C(=O)N2CCCN(CC(=O)N(C)C)CC2)c1 36395709 SXZAOAIOWMJAPH-UHFFFAOYSA-N 349.500 1.953 0 40 EDAB O=C(Nc1cnc2c(C(=O)O)cccn2c1=O)c1ccc(F)cc1 3225009 CGWBFSOAWREYIV-UHFFFAOYSA-N 327.271 1.784 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CCn1cncn1)c1ccc(F)cc1 10895484 DOIQAQDDPRVGHY-HNNXBMFYSA-N 328.351 1.447 0 40 EDAB CC(C)n1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccccc3)nnc12 10968096 XXJOEFVLDGTUHU-UHFFFAOYSA-N 338.371 1.329 0 40 EDAB CN(C)c1cccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1 3400085 DUZDHGRDMCJHFP-UHFFFAOYSA-N 333.388 1.678 0 40 EDAB COCCNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 8495571 WZZKEWUKZRBMBO-UHFFFAOYSA-N 328.434 1.304 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)C(C)C)C2=O)cc1 3550825 CGCKBZHKAJGVEU-ACJLOTCBSA-N 331.416 1.923 0 40 EDAB CC1CCC(N2C[C@H](C(=O)NCC3(O)CCOCC3)CC2=O)CC1 75228812 BEXUIEGYPFXVJD-SHARSMKWSA-N 338.448 1.071 0 40 EDAB Cn1c(SCC2(CS(C)(=O)=O)CC2)nc2ccsc2c1=O 89741006 LIGKQUVHKCKGQG-UHFFFAOYSA-N 344.483 1.912 0 40 EDAB CCc1nnc(NC(=O)CSc2nnnn2-c2ccccc2)s1 4153259 IAXVTSOOSBHBAX-UHFFFAOYSA-N 347.429 1.807 0 40 EDAB CCCCNC(=O)Cc1noc(CN2CCc3cnc(C)nc3C2)n1 69490425 VEDWCKMICNTKDR-UHFFFAOYSA-N 344.419 1.185 0 40 EDAB C[C@]1(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)CC1(Cl)Cl 5031585 XLAUYQVOMUZVRU-CYBMUJFWSA-N 345.182 1.851 0 40 EDAB COC(=O)CN(C)C(=O)CCN1CCC([C@@H](O)c2ccccc2)CC1 69589041 TVLCWDVBVUSHBV-IBGZPJMESA-N 348.443 1.454 0 40 EDAB O=C(CCN1CCC(CN2CCOCC2)CC1)NC1CCCCC1 69595449 PLLMRWUILDQAPZ-UHFFFAOYSA-N 337.508 1.870 0 40 EDAB CCOC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 4313456 SRVUDKRQJZGVRT-UHFFFAOYSA-N 326.658 1.793 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NC(=O)c1cscn1 69697378 UKNYTXGKMCSZDX-UHFFFAOYSA-N 332.384 1.110 0 40 EDAB O=C(C[C@H]1C=CCC1)Nc1ccccc1NCC(=O)N1CCNC1=O 69632544 SRJCRYCTIIQTCA-ZDUSSCGKSA-N 342.399 1.945 0 40 EDAB CCS(=O)(=O)C[C@H](C)NC(=O)[C@H](C)OCc1cccc(OC)c1 69738617 IYRJQRXMUIXPIP-STQMWFEESA-N 343.445 1.540 0 40 EDAB O=C(NCc1ccccn1)c1nn(-c2ccccc2F)nc1CO 8613533 BHAZNRYHZOMVBT-UHFFFAOYSA-N 327.319 1.224 0 40 EDAB CCS(=O)(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 65521191 BQCXLWNYBWKODM-CQSZACIVSA-N 332.853 1.653 0 40 EDAB CSc1cccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 65594560 STZXLFDYDNDZGY-LBPRGKRZSA-N 343.474 1.954 0 40 EDAB CCCCN1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(OC)cc2)C1 20567521 IAGRAKYRRDKWMY-UHFFFAOYSA-N 330.388 1.520 0 40 EDAB CN(C[C@H](O)COc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 69847022 LMZXCVAZAICUBC-SJORKVTESA-N 342.443 1.817 0 40 EDAB Cc1ccc(SCCC(=O)N2CCCN(CC(N)=O)CC2)cc1C 69815964 BEJYIPASACUGGC-UHFFFAOYSA-N 349.500 1.805 0 40 EDAB O=C(NCC(=O)N1CCC[C@H](n2cncn2)C1)OCc1ccccc1 69893320 WKNOAOPIIONQTG-HNNXBMFYSA-N 343.387 1.368 0 40 EDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c1 14381517 ZMHDEFNKMOHNSZ-UHFFFAOYSA-N 326.352 1.762 0 40 EDAB CCCOC(=O)c1ccc(NC(=O)C(=O)NCCN(CC)CC)cc1 4763489 JZAASEFJAFJHLX-UHFFFAOYSA-N 349.431 1.650 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccnc(-n2cncn2)c1 69949993 DBLLILYNGUILSF-CABCVRRESA-N 326.404 1.361 0 40 EDAB Cc1ccc(N2CCC[C@H](NCC(=O)NCc3cccs3)C2)nn1 69921071 HEDUYPWITOKEEX-AWEZNQCLSA-N 345.472 1.721 0 40 EDAB O=C(Nc1ccc(NC(=O)C2CC2)nc1)C(=O)NC1CCCCC1 66980935 UEAHSCZHAUNLES-UHFFFAOYSA-N 330.388 1.818 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)CSc1ccc(NC(C)=O)cc1 8719213 ACYWQMISJZAUEC-LLVKDONJSA-N 337.445 1.768 0 40 EDAB CC(C)(C)NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 6906157 ZSQCQIVEENLQMY-UHFFFAOYSA-N 341.433 1.628 0 40 EDAB COC(=O)c1cccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409372518 ZNOCAEMUONOUEQ-KOFHJDLBSA-N 331.324 1.456 0 40 EDAB COc1c(C)cnc(CN(C)C(=O)[C@H]2CSCN2C(C)=O)c1C 75582025 BJVHCQPULQRUAH-CQSZACIVSA-N 337.445 1.587 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c(C)c1F 96008604 PXYNJOLIXDKPAB-OLZOCXBDSA-N 342.436 2.000 0 40 EDAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NC(C)C)C2=O)cc1 9420027 OXHMWULYZQFXKC-AWEZNQCLSA-N 333.388 1.420 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCCOc2ccc(F)c(F)c2)C1 71883362 JZLLQMAUJTUMRF-JTQLQIEISA-N 327.331 1.251 0 40 EDAB CCc1nc(CCNC(=O)NC[C@@H]2CN(C)CCN2C)sc1C 72277853 NUVCBXQUUTYZMK-CYBMUJFWSA-N 339.509 1.101 0 40 EDAB C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC[C@H](c3ccn[nH]3)C1)CS2 72282853 HGYPQAXPBJKPOJ-GHJWDPDVSA-N 334.445 1.570 0 40 EDAB Cc1cc(NC(=O)CN(CCC(N)=O)c2ccc(F)cc2)n(C)n1 72293935 WPUAINCORSFDBZ-UHFFFAOYSA-N 333.367 1.188 0 40 EDAB O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2ccno2)CC1 72577084 BTCLNMRRAUJRLF-UHFFFAOYSA-N 341.820 1.835 0 40 EDAB C[C@H](NC(=O)CC(=O)Nc1nccs1)C(=O)N1CCCC[C@H]1C 95396538 YUOSUCXCVBNFNB-MNOVXSKESA-N 338.433 1.377 0 40 EDAB COCCNC(=O)COc1ccc(C)cc1I 72921594 LCHSATGTENAMCU-UHFFFAOYSA-N 349.168 1.741 0 40 EDAB COc1c(C(=O)NCc2nc3cccc(C)c3n2C)c(C)nn1C 95429876 ZNDLMBORWLBVGW-UHFFFAOYSA-N 327.388 1.862 0 40 EDAB C[C@H](C(=O)N1CCC(CS(N)(=O)=O)CC1)c1cccc(Cl)c1 78878208 GKJMRWLDQXIDRE-NSHDSACASA-N 344.864 1.971 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)C[S@@](=O)c2cccc(F)c2)C1 95966743 POXLUJQIBFWPSO-DMZKTXOQSA-N 326.393 1.060 0 40 EDAB COC[C@H](C)N1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 95964600 NJBRZSPEEMTAFB-ZDUSSCGKSA-N 338.429 1.774 0 40 EDAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1ccco1 79188733 PQLPHXUUNBUVKA-CQSZACIVSA-N 327.340 1.079 0 40 EDAB biogenic Cc1ncc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)[nH]1 548021736 UIQWIGBBJBLDKI-AAEUAGOBSA-N 337.424 1.825 0 40 EDAB CCCC[C@H](CC)CNC(=O)C(=O)NCCCN1CCOCC1 408706999 HLIRPOSKNZMDDT-HNNXBMFYSA-N 327.469 1.158 0 40 EDAB C[C@@H]1CN(C)C[C@H](c2nc(-c3ccc(C(=O)N(C)C)nc3)no2)O1 527544904 MZUKFCDLALLDRM-ZWNOBZJWSA-N 331.376 1.225 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCNC(=O)C(C)(C)C)C1 78879558 PROKEZLBUJTXRK-GFCCVEGCSA-N 341.452 1.664 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)NCc1nnnn1C(C)C 72239348 POFQYIUAMIIQCY-UHFFFAOYSA-N 325.394 1.050 0 40 EDAB CCOC(=O)N1CCN([C@@H](C)C(=O)NCc2ccccc2OC)CC1 38695388 RQTLBOHGUOGOFH-AWEZNQCLSA-N 349.431 1.474 0 40 EDAB CN1CC[C@@H](c2nn(CCNC(=O)CC(C)(C)C)c3nccnc23)C1 72391650 DRCDSYJADBWKSW-CYBMUJFWSA-N 344.463 1.798 0 40 EDAB CCCNc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217629380 VGJRRYNYHKPFTD-LLVKDONJSA-N 342.417 1.664 0 40 EDAB CO[C@]1(C)C[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1(C)C 74943674 LFANRMHCNVNUHT-RHSMWYFYSA-N 336.436 1.705 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCc1ccnc(N2CCOCC2)n1 211101991 CGLVXOYKQBHGQB-AWEZNQCLSA-N 342.399 1.397 0 40 EDAB COCc1nn2c(=O)cc(COC(=O)c3cccc(C)c3)nc2s1 41077316 DQMUUYIXWSAZKT-UHFFFAOYSA-N 345.380 1.963 0 40 EDAB COc1ccccc1C1=NO[C@@](C)(C(=O)NCc2cc(C)nn2C)C1 222283620 VCPAHLXMVWJZDY-GOSISDBHSA-N 342.399 1.937 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@H](Oc2cccnn2)C1 225413192 BIQGWWVPAKTQQX-GFCCVEGCSA-N 340.339 1.064 0 40 EDAB O=C(NCCOc1ccc(F)cc1)[C@@H]1CSc2nccc(=O)n2C1 85473927 IADTYKCOMPUQST-NSHDSACASA-N 349.387 1.300 0 40 EDAB NC(=O)C[C@H](NCc1ccc(Br)o1)C1CCOCC1 195579988 LHYYWRWFIXSOQH-NSHDSACASA-N 331.210 1.802 0 40 EDAB C[C@H]1C[C@@H](C)CN(Cc2nnc(CN3C[C@H](C)C[C@@H](C)C3)n2N)C1 225148934 YHKVRFMVWLJGQI-FPCVCCKLSA-N 334.512 1.948 0 40 EDAB COc1ccccc1-c1nc(NC(=O)c2cc3n(n2)CCCC3)n[nH]1 572590450 CPBCCYTUBQSSDC-UHFFFAOYSA-N 338.371 2.265 0 40 EDAB Cn1nccc1[C@@H](CC(=O)O)c1c(O)nc2ccc(Cl)cn2c1=O 96223916 KNZUMYSZUZURMA-SECBINFHSA-N 348.746 1.394 0 40 EDAB COc1cncc(N2CCN(C[C@@H](O)c3cccc(F)c3)CC2)n1 96406658 MFFPZWXDMHLJCD-OAHLLOKOSA-N 332.379 1.480 0 40 EDAB Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(C(=O)C(C)C)C2)C1 96226137 NEVURCUASLUHLU-KRWDZBQOSA-N 330.388 1.732 0 40 EDAB Cn1nc(C2CC2)nc1CN1CCC[C@H]1C(=O)NCc1ccco1 577746181 IYYHCZKLGYLXPS-AWEZNQCLSA-N 329.404 1.566 0 40 EDAB C[C@@H](CNS(=O)(=O)c1cccc2cnccc12)N1CCN(C)CC1 96421244 PHFKFZHMTRSDRM-AWEZNQCLSA-N 348.472 1.149 0 40 EDAB O=Cc1cc2c([N+](=O)[O-])ccnc2n1S(=O)(=O)c1ccccc1 95920005 WSPVFJUCMSZNBV-UHFFFAOYSA-N 331.309 1.994 0 40 EDAB Cc1cccc(CN2C[C@H]3OC[C@H](C(=O)N4CCCCO4)[C@H]3C2)n1 96216807 LOHWGWGBTJBPNG-IXDOHACOSA-N 331.416 1.391 0 40 EDAB CCc1ccc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)o1 97234638 DRZDWCSSMBLTHB-UHFFFAOYSA-N 340.445 1.177 0 40 EDAB CO[C@@](C)(C(=O)NC[C@@H](CO)Cc1cnn(C)c1)c1ccccc1F 582801292 SHYFWYNGFSPTCM-KBXCAEBGSA-N 349.406 1.388 0 40 EDAB CN1CCC[C@@H](CNCc2cn(C(C)(C)C)nn2)[C@@H]1c1cncn1C 583616556 JJZGQOOXCZVONK-WMLDXEAASA-N 345.495 1.939 0 40 EDAB Cn1cc(Cl)cc1C(=O)N1CCC(n2ncc3c2CNC3)CC1 580421666 RWRNGTIRFNYCHQ-UHFFFAOYSA-N 333.823 1.956 0 40 EDAB COc1cc(N2CC[C@H]3OCC[C@@H](C(=O)NC4CCC4)[C@H]3C2)ncn1 96043470 BZOCLTIBOOJZBD-RBSFLKMASA-N 346.431 1.385 0 40 EDAB CCn1c(C)nnc1CS(=O)(=O)c1nccn1-c1cccc(F)c1 90989310 AQIFSBXFFHCSAB-UHFFFAOYSA-N 349.391 1.905 0 40 EDAB CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1cnn[nH]1 96423826 ICKATTLVYCSPMO-UHFFFAOYSA-N 325.372 1.960 0 40 EDAB Cn1nccc1CNC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 96473638 VEVOSORGECYKJV-CQSZACIVSA-N 333.436 1.401 0 40 EDAB CC(C)c1nc(C[S@@](=O)CCn2cnc3ccccc3c2=O)no1 95419053 KRWNVBCBIMDYJX-XMMPIXPASA-N 346.412 1.852 0 40 EDAB O=C(c1ccco1)N1CCC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048362 JGDGSLFXPAJSNU-DYVFJYSZSA-N 328.372 1.945 0 40 EDAB Cn1ccnc1CN1CCC2(CCC(=O)N2Cc2cccnc2)CC1 96228159 BDNBAPVOSBZMTJ-UHFFFAOYSA-N 339.443 1.972 0 40 EDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)CNC(=O)c1ccccn1 96416913 XQMVVYXGIQGZBF-NSHDSACASA-N 333.338 1.837 0 40 EDAB O=S(=O)(Cc1ccc(S(=O)(=O)N2CCCC2)o1)C1CCCC1 96404665 DBKAHTNBFAVBMB-UHFFFAOYSA-N 347.458 1.922 0 40 EDAB O=C1[C@H]2CN(S(=O)(=O)c3cccs3)C[C@H]2CN1CC1CC1 96245026 RYXXTNZKIDABPQ-NEPJUHHUSA-N 326.443 1.237 0 40 EDAB Cc1nc(CNC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)oc1C 96420692 JDRHTEROJUFAES-CQSZACIVSA-N 336.436 1.985 0 40 EDAB Cn1cc(C(=O)N[C@H]2CN(Cc3cccs3)[C@@H]3CCCO[C@H]23)cn1 96186874 HPWHBQXRELITRO-ARFHVFGLSA-N 346.456 1.643 0 40 EDAB O=C(Cc1ccccn1)N1Cc2cncn2[C@H](COc2ccccn2)C1 247849967 IKVOZKQBHNMQNY-KRWDZBQOSA-N 349.394 1.878 0 40 EDAB COc1ncccc1CN1Cc2ccnn2[C@H](C(=O)NC2CCC2)C1 247825365 FNYCXEXUKTXGSW-INIZCTEOSA-N 341.415 1.512 0 40 EDAB CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)c1cccs1 257216848 CWISCZFJMBDICD-MRXNPFEDSA-N 332.429 1.642 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1Cc1nccn1C 257266561 MDNXCYLDHWVPAT-HNNXBMFYSA-N 328.420 1.492 0 40 EDAB CN(C(=O)CCc1cccnc1)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257280843 OMQGLWDJSMUQKX-ZHALLVOQSA-N 331.460 1.850 0 40 EDAB CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 252479873 BOINOZCISWDZBB-KBPBESRZSA-N 337.395 1.809 0 40 EDAB Nc1cnc(C[C@H]2CCCN(C(=O)CCCn3ccnc3)CC2)cn1 257308457 TWTOITBJLITWNM-HNNXBMFYSA-N 342.447 1.907 0 40 EDAB Cc1ncc(-c2nccnc2C[C@@H]2CCCN(S(C)(=O)=O)C2)n1C 257220508 DLBGCBIFTIRJBM-ZDUSSCGKSA-N 349.460 1.400 0 40 EDAB COc1ccc(CNS(=O)(=O)C[C@@H](C)OC)cc1NC(C)=O 252506591 WBHRJZMRCCOWGI-SNVBAGLBSA-N 330.406 1.108 0 40 EDAB COC(=O)c1ccc(NC(=O)CCNC(=O)OC(C)(C)C)c(O)n1 585079792 QAWKCSQSTUTAOG-UHFFFAOYSA-N 339.348 1.427 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 257315105 UZXWHIOFVXHGLE-HNNXBMFYSA-N 325.434 1.618 0 40 EDAB Nc1cnc(C[C@H]2CCCN(C(=O)CCN3CCCC3=O)CC2)cn1 257330878 XQJTURSPMFEFLX-AWEZNQCLSA-N 345.447 1.243 0 40 EDAB NC(=O)c1cc(NC(=O)c2ccccc2CN2CCOCC2)cs1 585124419 CLZLGDXHVPADTA-UHFFFAOYSA-N 345.424 1.932 0 40 EDAB CN1CC[C@@H](C(=O)Nc2ccc(C(F)(F)F)c(F)c2)S1(=O)=O 585127786 JJNVOGDMSYQYFX-JTQLQIEISA-N 340.298 1.817 0 40 EDAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2cnccn2)nc1 257231598 GHKVGOXLSYAHML-INIZCTEOSA-N 325.372 1.485 0 40 EDAB C[C@@H](O)CNC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 343660883 DKIUFYUCEICARQ-YPMHNXCESA-N 342.417 1.142 0 40 EDAB CNC(=O)[C@H]1CN(Cc2ccc(Cl)cc2F)CCN(C(C)=O)C1 257270097 MSTBJISUJHXZGU-ZDUSSCGKSA-N 341.814 1.505 0 40 EDAB CC(=O)N1CCO[C@](C)(C(=O)NCc2ccccc2CN(C)C)C1 257338701 YYORVZJUJATFGH-SFHVURJKSA-N 333.432 1.002 0 40 EDAB O=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](N2C(=O)CNC2=O)C1 253473024 RBFKIYZTFIKTGD-GFCCVEGCSA-N 340.339 1.108 0 40 EDAB O=S(=O)(NCCNc1cc(-n2cccc2)ncn1)c1cccs1 85472197 LLDZWQHJXGCBKC-UHFFFAOYSA-N 349.441 1.719 0 40 EDAB COCc1n[nH]c(CNC(=O)C(=O)Nc2cccc(CSC)c2)n1 595132563 QWOKYXLEYZRWSP-UHFFFAOYSA-N 349.416 1.069 0 40 EDAB CO[C@H]1COC[C@@H]1S(=O)(=O)NCCc1nc(C(C)(C)C)cs1 1615045736 VCEAZPYVIHLRDD-QWRGUYRKSA-N 348.490 1.316 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(C(=O)O)cc2)CCN1Cc1nccn1C 1615046595 MSXTUBOWWVZLGW-CYBMUJFWSA-N 342.399 1.465 0 40 EDAB O=C([C@@H]1NCCOc2ccccc21)N1CCN(c2ccncc2)CC1 1615615029 MUNBTCBDEXNIPH-GOSISDBHSA-N 338.411 1.454 0 40 EDAB COc1ccc(S(=O)(=O)Nc2cnn([C@H]3CCOC3)c2)cc1F 96123293 MEJHMYZTUFNMKU-NSHDSACASA-N 341.364 1.793 0 40 EDAB O=C(COc1ccccc1Cl)NCCn1cnc(C2CC2)cc1=O 575604241 VGCICLJZTHFYDV-UHFFFAOYSA-N 347.802 1.969 0 40 EDAB Cn1cc(CN2Cc3ccnn3[C@H](CCNC(=O)C3CC3)C2)cn1 585113016 ZYCYHXLNXPUSFF-OAHLLOKOSA-N 328.420 1.090 0 40 EDAB CCn1cc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3F)C2)cn1 585278823 VRJKAOSBTAXEJW-SFHVURJKSA-N 347.390 1.488 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)Cn2ccnc2C)C1 585276939 KSGMONIIJBKUGQ-SFHVURJKSA-N 329.400 1.542 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1cnn2c(C)cc(C)nc12 585291684 RNSGSXDYYICMEW-OAGGEKHMSA-N 334.420 1.207 0 40 EDAB Cn1cc([C@@H]2C[C@@H](c3ccc4c(c3)OCCO4)Nc3ncnn32)cn1 48354366 LJRIPOJMBMAYTA-KBPBESRZSA-N 338.371 1.929 0 40 EDAB NC(=O)c1cnc(N[C@@H]2CCCN(c3ncccn3)C2)c(Cl)c1 54060730 NEPULNTXKNUJCQ-LLVKDONJSA-N 332.795 1.705 0 40 EDAB CCN1C[C@@H](C(=O)NCCNc2ncnc3sccc23)CC1=O 65405022 WXBLZYJZMAHQAH-JTQLQIEISA-N 333.417 1.088 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1cc(F)ccc1F 68827946 FBKSFSAFWONWRN-UHFFFAOYSA-N 333.342 1.516 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NCc3nccs3)CC2=O)cc1 69620334 CQCGVGLFAILPHB-ZDUSSCGKSA-N 345.424 1.817 0 40 EDAB Cc1cccc(C)c1NC(=O)CNS(=O)(=O)N1CCCCCC1 70037645 GNGWEHMOTOKCLX-UHFFFAOYSA-N 339.461 1.952 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)CCc3nc(C4CC4)no3)CCO2)n1 83829886 JMONQPXCLGMAIE-NSHDSACASA-N 346.391 1.160 0 40 EDAB COCc1cn([C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)nn1 1565522930 BRFJQXFOMDELOX-HNNXBMFYSA-N 336.417 1.201 0 40 EDAB CC(=O)N1CCN(C2COC2)C[C@@H](Cc2cnc3ccccc3c2)C1 1615155737 PXGBAWSFLHECTI-KRWDZBQOSA-N 339.439 1.956 0 40 EDAB NC(=O)c1ccc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cc1 1615545298 FQTFFFCGTRXRTL-ZIAGYGMSSA-N 327.306 1.057 0 40 EDAB O=C(Nc1ncc(Cc2ccccc2)s1)N1CC(OCCO)C1 1615549255 LKRQMEAEIMUQCQ-UHFFFAOYSA-N 333.413 1.959 0 40 EDAB COc1ccc(NC(=O)CCC(=O)N2CCN(C(C)=O)CC2)cc1 5278317 VHPUFODVSMWSKC-UHFFFAOYSA-N 333.388 1.105 0 40 EDAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)Cc2cccs2)cc1 11739568 DHCOCQQEAFNUMC-UHFFFAOYSA-N 345.424 1.795 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC(O)(c2ccccn2)CC1 12114520 KOJAVRWDPLEYQW-UHFFFAOYSA-N 326.352 1.934 0 40 EDAB O=C(C1CCCCC1)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1 12181381 JPGMPQUQNDXVDG-UHFFFAOYSA-N 346.431 1.072 0 40 EDAB CN(C)CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 12187651 SZEJHZDRNQPFHU-UHFFFAOYSA-N 341.433 1.026 0 40 EDAB O=C(C1CC1)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 13267455 QVQJNHOXGJIJOG-UHFFFAOYSA-N 327.384 1.160 0 40 EDAB O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 15565249 ZKBPBFSFXMWVBH-UHFFFAOYSA-N 328.303 1.364 0 40 EDAB COc1cccc(N2C[C@H](NC(=O)COc3ccccn3)CC2=O)c1 19565782 NZVHCCIVCVBUTO-CYBMUJFWSA-N 341.367 1.391 0 40 EDAB CCn1ccnc1CN1CCC(Cc2nn(C)cc2C(=O)NC)CC1 19756660 AYNDQFJHJRILBQ-UHFFFAOYSA-N 344.463 1.451 0 40 EDAB O=C(NC1CCCC1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225603538 PDGRIPDPAUROKV-UHFFFAOYSA-N 345.447 1.629 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)N[C@@H]3CCc4ccccc43)cnc21 11173762 KKHIBBDTVCKJFM-OAHLLOKOSA-N 337.383 1.324 0 40 EDAB CC(C)c1nc(N2CCN(C(=O)c3ccncc3)CC2)nc(O)c1F 1888844347 VTUDCOYKRFHWAG-UHFFFAOYSA-N 345.378 1.802 0 40 EDAB Cn1cc(C(=O)N2CC[C@@H](COc3ccc(C(C)(C)C)nn3)C2)nn1 1888853817 XRFJZSPMRAOHLU-GFCCVEGCSA-N 344.419 1.444 0 40 EDAB CC(C)n1ncc2cc(C(=O)NC[C@H](C)N3CCOCC3)cnc21 29961310 RWLRPNRCNSAUCX-ZDUSSCGKSA-N 331.420 1.463 0 40 EDAB CC[C@@](C)(CNC(=O)Cc1cn2ccsc2n1)N1CCOCC1 31929104 KGLQRSAWTQVSDX-INIZCTEOSA-N 336.461 1.555 0 40 EDAB CCc1cnc(OC2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)nc1 1776009144 IMWFMDXDVBMTPU-MRXNPFEDSA-N 330.432 1.646 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(Oc2cccnc2)C1 238835829 GRBNXEDFUCVJCK-UHFFFAOYSA-N 348.380 1.305 0 40 EDAB Cc1cccc(CN2CCO[C@H]3CN(Cc4cncn4C)C[C@@H]32)n1 2056224079 QTZZBBKAAGSEAW-ROUUACIJSA-N 327.432 1.209 0 40 EDAB Cc1cccc(CN2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)c1 20045058 AUTMLJJUZCOBHU-UHFFFAOYSA-N 348.472 1.543 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3cc(C4CC4)on3)C2)C1 1565550944 KGWDENFQRHKVPS-UHFFFAOYSA-N 339.417 1.096 0 40 EDAB O=C(CCc1cncnc1)N1CC[C@H]2O[C@H](COCC3CC3)CC[C@H]21 1565545076 DIHUYBHTQMVORK-RCCFBDPRSA-N 345.443 1.984 0 40 EDAB Cc1ccc2nc(SCC(=O)N3CCCCCC3)nc(=O)n2c1 4499812 HSWWDEAOWNUAJQ-UHFFFAOYSA-N 332.429 1.893 0 40 EDAB COc1ccc(Nc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 12226810 AVORPFYDYZJHEQ-UHFFFAOYSA-N 326.356 1.693 0 40 EDAB CCCN(CC)C(=O)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055715753 GPMDPCVREADLLM-ZDUSSCGKSA-N 332.448 1.986 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)c3ccc(N(C)C)cc3)C2)n1 1775968083 OFVCRLFPGYALTD-UHFFFAOYSA-N 326.400 1.390 0 40 EDAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(C)on1 206794114 XIDDPBIBELNNBH-RISCZKNCSA-N 348.330 1.957 0 40 EDAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)C(=O)Nc1ccccc1F 575415717 WQGUUECONGVATI-CQSZACIVSA-N 349.406 1.381 0 40 EDAB CCOc1cc(CNC(=O)[C@@H](C)n2nc(C3CC3)ccc2=O)ccn1 585149933 CZSXPYFOYZWTHG-GFCCVEGCSA-N 342.399 1.792 0 40 EDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(Nc2ccncn2)C1 618256942 ZREUVKQPLCVLBI-LLVKDONJSA-N 342.355 1.296 0 40 EDAB C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CN1)c1cccc(F)c1 40091001 HPJCRCSJMDRUCF-GFCCVEGCSA-N 340.358 1.953 0 40 EDAB C[C@H](O)CNC(=O)N[C@@H](CN(C)C1CCN(C)CC1)c1ccccc1 50135251 MUABRXSOARIXMC-YJBOKZPZSA-N 348.491 1.434 0 40 EDAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cnccn1 40159547 OKCMBTZWHXOHIG-UHFFFAOYSA-N 328.372 1.976 0 40 EDAB C[C@@H](NC(=O)CN(C)c1cnccn1)c1ccc2c(c1)OCCO2 31288900 OGTQBXKDQBWMND-GFCCVEGCSA-N 328.372 1.561 0 40 EDAB CCOC(=O)C1=C(Cn2ccnc2)NC(=O)N[C@@H]1c1ccc(C)o1 40494238 MUSFXVQLWXMMCT-CQSZACIVSA-N 330.344 1.656 0 40 EDAB Cc1csc(=O)n1CCN1CCN(C(=O)c2ccc(F)cc2)CC1 40497190 CVNBLKVLBKYYNU-UHFFFAOYSA-N 349.431 1.815 0 40 EDAB COCCn1nc(C(=O)NCC2(c3ccccc3)CCC2)ccc1=O 40485446 YDXXTAHYKWUMNV-UHFFFAOYSA-N 341.411 1.741 0 40 EDAB Cn1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1=O 31543067 COCITEGXGBQXEK-QGZVFWFLSA-N 325.412 1.780 0 40 EDAB CN(C(=O)/C=C/c1cnc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 31610987 VQZBKJCTTNSVBD-KTRBRXNASA-N 331.397 1.289 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CCC(=O)N1CCc2ccccc21 28886460 HWMIVYZUSAQHSN-IBGZPJMESA-N 349.434 1.878 0 40 EDAB CN(C)c1cc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)ccn1 40553717 JXRDLJFCRWJOLT-CQSZACIVSA-N 326.404 1.336 0 40 EDAB C[C@@H](CNC(=O)Cc1noc2ccccc12)N1C[C@@H](C)O[C@H](C)C1 40512873 QYXGOVGUDQKPFM-BFHYXJOUSA-N 331.416 1.984 0 40 EDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1n[nH]c2ccccc12 31938111 PXVXOFNIRCCTPC-KRWDZBQOSA-N 346.456 1.501 0 40 EDAB O=C(Nc1nccs1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32092499 WSWDTBFIHPXNFC-SNVBAGLBSA-N 329.389 1.436 0 40 EDAB Cn1nc(C(=O)N2CCSCC2)cc1NC(=O)c1ccccc1 40761794 ZKOJYBSFKWAKCM-UHFFFAOYSA-N 330.413 1.861 0 40 EDAB COC(=O)CCCNC(=O)CC[C@@H]1NC(=O)c2ccccc2N=C1O 32124034 JXRWHPPCPJNHER-ZDUSSCGKSA-N 347.371 1.236 0 40 EDAB biogenic O=C1CCCc2cc(C(=O)Cn3nnc4ccccc4c3=O)ccc2N1 32327273 YQCBABMFJVINBN-UHFFFAOYSA-N 348.362 1.949 0 40 EDAB Cc1csc(=O)n1CC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 21058216 ABBJQHJBVUSIJR-STQMWFEESA-N 341.477 1.222 0 40 EDAB COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1Cl 46186518 JRBTWPPBJWSIAM-GXFFZTMASA-N 338.791 1.539 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC3)cc2)C[C@H](C)O1 32736060 UBUKLLDXPHSTIA-STQMWFEESA-N 338.429 1.330 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccccc1F 32842324 NJNIDDFPYZODHP-OAHLLOKOSA-N 346.406 1.927 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C[C@@H](C)O1 32836414 NDHAHMYQOPNOOY-PHIMTYICSA-N 346.474 1.089 0 40 EDAB CN(CC(N)=O)CC(=O)NCC(c1ccccc1)c1ccccc1 52830956 BMGNFFNUNGITTA-UHFFFAOYSA-N 325.412 1.352 0 40 EDAB C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1cccnc1-n1ccnc1 29950990 VOZCAURIUKXPFE-CQSZACIVSA-N 349.394 1.702 0 40 EDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCCn2cncn2)CC1=O 41862583 SDABOTUTQBDRDF-ZBFHGGJFSA-N 341.415 1.394 0 40 EDAB C[C@@]1(C2CCN(C(=O)c3cc(F)ccc3F)CC2)NC(=O)NC1=O 80934791 ZDCXCAPPQGMING-INIZCTEOSA-N 337.326 1.415 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@H](c2ccc(F)cc2)C1 23186504 UXPJHPPLWAKJMY-BXUZGUMPSA-N 346.410 1.793 0 40 EDAB CCn1cnnc1CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1 71910215 YVPFVOKTYSSVKU-UHFFFAOYSA-N 347.400 1.740 0 40 EDAB Cc1cc(NC(=O)CCN2CCC(c3nnc4n3CCC4)CC2)no1 47258299 FJJWYAABILESLV-UHFFFAOYSA-N 344.419 1.729 0 40 EDAB CC(=O)N[C@H](CC(=O)N[C@@H](C)Cn1ccnc1)c1ccc(C)cc1 42534659 BEMZOLATKLIHDR-WMLDXEAASA-N 328.416 1.964 0 40 EDAB C[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1nncn1C 47332299 QIWUAMBMELFGCR-AWEZNQCLSA-N 342.447 1.840 0 40 EDAB COC(=O)CN(CC(=O)OC)C(=O)c1cc(Cl)cc(Cl)c1 61875663 MWFONYZODOGSEI-UHFFFAOYSA-N 334.155 1.782 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n(C)c1 105628001 SDRVOYYMEBWSKP-ZJQBRPOHSA-N 339.461 1.488 0 40 EDAB Cn1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)n1 24473719 CSPKNWFEBJFPKE-CQSZACIVSA-N 338.367 1.993 0 40 EDAB C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(N)=O 55214516 MBFNVFAAUODOHK-SCSAIBSYSA-N 331.608 1.799 0 40 EDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NOCc1ccccc1 25036689 VMINRJJKBIAMSG-UHFFFAOYSA-N 331.372 1.489 0 40 EDAB Cc1nn(CC(=O)n2cccn2)c(C)c1I 1432149 JIOHMCMSBLMGCQ-UHFFFAOYSA-N 330.129 1.641 0 40 EDAB O=C(c1ccc(F)c(F)c1)N1CCN(Cc2nnnn2C2CC2)CC1 26446024 PZINQNKMRRLRFY-UHFFFAOYSA-N 348.357 1.244 0 40 EDAB CCOC(=O)c1ccc(Nc2nnc3[nH]c(=O)c4cn[nH]c4n23)cc1 35682017 MZOIXQGYZPCNAT-UHFFFAOYSA-N 339.315 1.214 0 40 EDAB Cc1ccc(C(=O)Nc2nnc3ccccn23)cc1S(C)(=O)=O 44500741 BCVRUMMBAYRQDG-UHFFFAOYSA-N 330.369 1.694 0 40 EDAB CC(C)OC(=O)c1cccc(-c2nnn(CCn3cccn3)n2)c1 58159312 RLMBVRPVCBATKR-UHFFFAOYSA-N 326.360 1.802 0 40 EDAB CC[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(N)=O 58289649 WFOMLKKUXQRMPY-GFCCVEGCSA-N 343.474 1.612 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NCc2ccc(F)cc2)no1 44938622 OKYMXZFYIRDGLX-LLVKDONJSA-N 340.376 1.742 0 40 EDAB CC1(C)NC(=O)N(CCCSc2nnnn2C2CCCC2)C1=O 44919333 UBEGEQSIIIBIDJ-UHFFFAOYSA-N 338.437 1.601 0 40 EDAB C[C@H](SCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 68729717 BOQSHKZOHSOMSL-GWCFXTLKSA-N 331.434 1.923 0 40 EDAB CCOc1cccc(CNC(=O)CN(C)c2ncnc3[nH]cnc23)c1 58331989 WAAIZARWMKBSDB-UHFFFAOYSA-N 340.387 1.504 0 40 EDAB Cc1ccc([C@@H](CNC(=O)C2=NN(C)C(=O)CC2)N2CCCC2)cc1 58341004 RIMUIUAWFGJYQS-QGZVFWFLSA-N 342.443 1.856 0 40 EDAB CC(=O)N1CCC(NC(=O)Nc2ccc(-n3cccn3)nc2)CC1 48135237 NGJOTHOJLZHHPL-UHFFFAOYSA-N 328.376 1.400 0 40 EDAB C[C@H](SCc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)NC2=O 45037604 MPPLCCUZVSVBBZ-LBPRGKRZSA-N 347.440 1.509 0 40 EDAB CCN(CC)CC1CCN(C(=O)c2ccccc2-n2cnnn2)CC1 58420423 ZKTRURYBFWDTCT-UHFFFAOYSA-N 342.447 1.856 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCC(F)(F)F 3320802 OSHPHWOVQFXCFJ-AWEZNQCLSA-N 341.289 1.058 0 40 EDAB Cc1cc(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)n(C)n1 48237309 YTWGAVBWKGYKKO-FUNVUKJBSA-N 333.388 1.606 0 40 EDAB COc1ccc(C(=O)NCC(=O)NC2CCC3(CC2)OCCO3)cc1 48356590 MHDGGNLSVYDIAV-UHFFFAOYSA-N 348.399 1.227 0 40 EDAB CC(=O)N[C@@H](C)C(=O)O[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 12803384 CBTLXUBNPUHXEZ-XHDPSFHLSA-N 345.355 1.731 0 40 EDAB Cc1sc(-c2ccccc2)nc1-c1c(N)n(C)c(=O)n(C)c1=O 12847912 MSCMGULTAZRFRC-UHFFFAOYSA-N 328.397 1.765 0 40 EDAB CCOC[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 81499073 HEYSPXCGBGSEBF-CABCVRRESA-N 335.452 1.457 0 40 EDAB O=C(CNC(=O)Cc1ccccc1)NCc1ccc2c(c1)OCO2 8181294 HVLJTXAZOMLLTB-UHFFFAOYSA-N 326.352 1.390 0 40 EDAB CCNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 8195600 AGMAIKMUJAAYOS-UHFFFAOYSA-N 337.430 1.584 0 40 EDAB Cc1cnn(CCC(=O)NCC2(CN3CCOCC3)CCCCC2)c1 81667580 KYIBVOXEJYAPGQ-UHFFFAOYSA-N 348.491 1.981 0 40 EDAB COC(=O)NCC(=O)NCc1cn2cc(Br)ccc2n1 48919147 LYQQIZAPCLBJBW-UHFFFAOYSA-N 341.165 1.069 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2OC)c1 24260031 OPEYFXDHKLNIHL-UHFFFAOYSA-N 335.381 1.960 0 40 EDAB Cc1cc(NC(=O)CN2CCO[C@H](Cn3nc(C)cc3C)C2)on1 69368428 YJIKXCQLDYRZKQ-AWEZNQCLSA-N 333.392 1.136 0 40 EDAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCCC1 17027892 IHPKKVKCZYOINW-UHFFFAOYSA-N 329.400 1.873 0 40 EDAB CC1CCC(NS(=O)(=O)CC(=O)N[C@@H](C)[C@H]2CCCO2)CC1 69439467 BPXKBHDHSNHYHI-GNRIBBGQSA-N 332.466 1.168 0 40 EDAB C[C@@H]1CN(Cc2nnc(-c3ccco3)o2)CCN1Cc1nccn1C 69443606 JGTUTVCJLPIZBS-CYBMUJFWSA-N 342.403 1.769 0 40 EDAB COc1ccc(CNC(=O)CSc2ncnc3nc[nH]c23)cc1 5126950 XLJQMEUZSPZIKG-UHFFFAOYSA-N 329.385 1.770 0 40 EDAB biogenic,in-vitro CC(C)NC(=O)CS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 69582181 OWUZUWRHDADPCG-UHFFFAOYSA-N 339.392 1.451 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CNC(C)(C)c1ccc2c(c1)OCCO2 65474613 LHKSQBXKGOWTBG-UHFFFAOYSA-N 349.431 1.907 0 40 EDAB CCOc1ncnc2c1CN(CC(=O)Nc1nc(C)cs1)CC2 65457933 LUSIJRRISIYMEZ-UHFFFAOYSA-N 333.417 1.637 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2cnn(C)c2)c(Cl)c1 65562782 GDWJUQUTNQSROL-UHFFFAOYSA-N 329.765 1.661 0 40 EDAB O=C([C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1)N1CCCC1 65551985 ZBCBRKZEIBKHGH-ZDUSSCGKSA-N 344.433 1.512 0 40 EDAB CCN(CC(=O)NC)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 69667276 MELRVIMVPZOMFG-AWEZNQCLSA-N 346.431 1.525 0 40 EDAB COC(=O)c1sc(NC(=O)C[C@@H]2CCCCN2C(C)=O)nc1C 65620891 WUYANZRQGSHKFE-NSHDSACASA-N 339.417 1.968 0 40 EDAB O=C(c1ccnnc1)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306144048 YUKHHWXDYRVYSZ-INIZCTEOSA-N 340.383 1.320 0 40 EDAB O=C(Nc1cccc(O)c1)C(=O)[C@@H]1C(=O)Nc2ccccc2[S@]1=O 4671319 HLDPLTYQWPNUJU-SHACYNPGSA-N 344.348 1.028 0 40 EDAB Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@@H]2CCCNC2=O)c1 69770640 YSBJNUZVUPWVHW-SJORKVTESA-N 329.444 1.744 0 40 EDAB COc1cc2c(cc1CNC[C@@H]1CN(C3CC3)CCO1)O[C@@H](C)C2 69843173 PAIFWKRGGDCOSZ-SUMWQHHRSA-N 332.444 1.971 0 40 EDAB Cc1nc([C@H](NC(=O)CCNC(=O)C(C)(C)C)c2ccccc2)n[nH]1 69808768 BSMPNWJGWRRNOO-OAHLLOKOSA-N 343.431 1.871 0 40 EDAB CC(C)c1cc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)on1 69842423 VSKCLWVZNFCFLH-ZDUSSCGKSA-N 332.408 1.740 0 40 EDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cnccn2)c1 5980754 SKAQZQLUEGDCLZ-UHFFFAOYSA-N 334.401 1.759 0 40 EDAB C[C@H](C(=O)N(C)CC1CCN(C)CC1)n1nnc(-c2ccccc2)n1 80031191 DSJWMABHEXLXFH-CQSZACIVSA-N 342.447 1.701 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2C(=O)CCNc2ncccn2)c1 69948359 UWLDKPGYAOUBIN-OAHLLOKOSA-N 328.420 1.865 0 40 EDAB Cc1cnn(C[C@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)c1 71186502 KDSBOWWPUFUUEN-LLVKDONJSA-N 327.310 1.906 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=O)c2cc3c([nH]c2=O)CCC3)cc1 83989613 MWICTGYVICTFLY-UHFFFAOYSA-N 346.408 1.197 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)N(C2CC2)[C@@H]2CC(O)=NC2=O)cc1 96703793 BQDJJKUFVKZOSO-CEOUIICOSA-N 342.351 1.733 0 40 EDAB COc1ccc2c(C)c(CCC(=O)Nc3nnn[nH]3)c(=O)oc2c1 9184066 QWBLZHGIRXSRED-UHFFFAOYSA-N 329.316 1.194 0 40 EDAB Cc1csc(=O)n1CC(=O)NC[C@H](c1ccco1)N1CCCC1 9217469 AOUUOINQMAQLMH-CYBMUJFWSA-N 335.429 1.765 0 40 EDAB CN(C)C(=O)Cn1cc2c(n1)[C@@H](NC(=O)c1ccccc1)CCC2 96002935 WRLGGAXRIYLKOZ-HNNXBMFYSA-N 326.400 1.779 0 40 EDAB Cc1noc(C)c1C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 72280642 BTNLRBRJYBODHX-OAHLLOKOSA-N 327.384 1.911 0 40 EDAB C/C(=C\C(=O)N1CCO[C@@H](C(N)=O)C1)C12CC3CC(CC(C3)C1)C2 96402103 PZBYRSZMUGTODP-QADZCCMTSA-N 332.444 1.862 0 40 EDAB CCN1CCN(C(=O)CC2CCN(C(=O)c3cccn3C)CC2)CC1 71888943 FEMPHNHKOPOTNY-UHFFFAOYSA-N 346.475 1.432 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1 71871144 RQTWAOJMWYJGNN-NSHDSACASA-N 347.337 1.161 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H]3Cn3cccn3)nc2n1 71866271 OCSKXKITEHPIRY-ZDUSSCGKSA-N 325.376 1.242 0 40 EDAB C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCS(N)(=O)=O 71886002 REYCBLPUHZVJFY-MRVPVSSYSA-N 339.244 1.577 0 40 EDAB CCCO[C@H]1CCCN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)C1 71837400 WZGXTBLSQJDUDA-ZDUSSCGKSA-N 345.399 1.107 0 40 EDAB O[C@H](COCc1ccccc1)CN1CCCC[C@@H]1Cn1cncn1 71877013 IQCCFXDNNOFXQE-MSOLQXFVSA-N 330.432 1.710 0 40 EDAB CCc1nc(CN2CCN(C(=O)C3C[C@@H](C)O[C@H](C)C3)CC2)no1 94125119 FWMFPHZORZOIGE-CHWSQXEVSA-N 336.436 1.480 0 40 EDAB Cc1ccc(CN(C)C(=O)CNC[C@@H]2CCCN2c2cccnn2)o1 72267407 DUEIHERTXUFDLS-HNNXBMFYSA-N 343.431 1.595 0 40 EDAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@H](c2ccn[nH]2)C1 72282765 QOEHMELVAKNYEA-LSDHHAIUSA-N 340.431 1.822 0 40 EDAB CNC(=O)[C@H]1CCCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 97083560 GEJLICYBZVRPER-CQSZACIVSA-N 337.786 1.770 0 40 EDAB C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 97166214 FYGBSQHLUAVUHZ-USXIJHARSA-N 338.473 1.748 0 40 EDAB CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(=O)[nH]c2ccccc12 75611258 QHESURSCJHXRJY-UHFFFAOYSA-N 336.413 1.471 0 40 EDAB Cc1cc(CNc2nc(-c3cccnc3)nc3c2CCNCC3)n(C)n1 72463753 QCHAIDCESGPOKX-UHFFFAOYSA-N 349.442 1.881 0 40 EDAB C[S@@](=O)CCN1CCN(c2ncnc3c2oc2ccccc23)CC1 76023336 MYLXDCDBVXYECT-DEOSSOPVSA-N 344.440 1.877 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN([C@@H](C)c3nc(C4CC4)no3)C2)C1=O 84597298 RJEHJZNWNGFFTB-QFYYESIMSA-N 333.392 1.413 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)NC[C@@H](O)Cc1ccccc1 95432982 RQWOIJSSIVNLNZ-INIZCTEOSA-N 326.462 1.689 0 40 EDAB COCc1cc(NCc2ccc([C@@H](C)O)c(C)n2)n2ncnc2n1 95455225 BKDAWHUOKRFSBI-LLVKDONJSA-N 328.376 1.640 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N2CCC([C@H](O)C(F)(F)F)CC2)C1 95433430 WNPCPPDFZSMIIJ-JQWIXIFHSA-N 344.399 1.598 0 40 EDAB CCN(CC)S(=O)(=O)CCNc1cccc(-n2cc(C)cn2)n1 95971868 DBZRPVIVMWUXPM-UHFFFAOYSA-N 337.449 1.659 0 40 EDAB CCOc1cc2c(cc1OCC)CN(C(=O)[C@H]1CC(=O)N(C)C1)CC2 95948829 BBLLTBONEYTBPO-HNNXBMFYSA-N 346.427 1.847 0 40 EDAB CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C 75130505 UEGKIORRHTWCQB-KBPBESRZSA-N 336.461 1.622 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)c(=O)[nH]1 75124445 FIJRITVIWGVLEF-INMHGKMJSA-N 349.475 1.742 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)c2ccc(C)[nH]c2=O)c1 75119716 FHMMDTIVZBPUBB-CQSZACIVSA-N 332.356 1.164 0 40 EDAB CCS(=O)(=O)N1c2ccc(C(=O)N3CCOCC3)cc2C[C@@H]1C 20449183 LURAGCDSSWPMCZ-LBPRGKRZSA-N 338.429 1.260 0 40 EDAB COc1ccccc1[C@@H]1c2c(C)n[nH]c2Nc2[nH]c(=O)[nH]c(=O)c21 31812231 HAACAGCIFFHGAJ-LLVKDONJSA-N 325.328 1.341 0 40 EDAB CC1(C)C[C@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CCO1 525505 QHHWCSVBSCFMCZ-KFWWJZLASA-N 330.428 1.999 0 40 EDAB biogenic CCS(=O)(=O)c1ccc(CC(=O)Nc2c3c(nn2C)CCC3)cc1 38510646 VTCCHHNFBROBDX-UHFFFAOYSA-N 347.440 1.884 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)CCO1 78883619 WWHMIMJEVNNHEC-XQQFMLRXSA-N 342.317 1.522 0 40 EDAB O=C(NCCc1ccncc1)c1c(-n2cnnn2)sc2c1CCC2 524734582 SDVACHUAEYDOSS-UHFFFAOYSA-N 340.412 1.580 0 40 EDAB Cc1c(C(=O)NCc2nc3ccccc3[nH]2)nnn1-c1nccs1 56932503 PJCKABSRTUQUIM-UHFFFAOYSA-N 339.384 1.839 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218047711 OOZWHILKDKLSDA-JFIYKMOQSA-N 345.420 1.964 0 40 EDAB CO[C@@H]1CCC[C@H](C(=O)NCCn2nc(-c3ccco3)ccc2=O)C1 72346813 SDQBUFYOYQQMJO-UONOGXRCSA-N 345.399 1.825 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 78996764 XRFDPRUNMLDPFI-DUZHOBMZSA-N 336.461 1.668 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NCCn1nc(C)cc1C 44159222 ZUZZIMXTLYMFCU-UHFFFAOYSA-N 327.381 1.626 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@H](O)c1csc2ccccc12 225692030 YWBDQJHULSJTQB-LBPRGKRZSA-N 332.381 1.200 0 40 EDAB C[C@H](CCc1ccc(O)cc1)NCC1CCN(S(C)(=O)=O)CC1 136388150 TYLNWZRDYUBCEU-CQSZACIVSA-N 340.489 1.975 0 40 EDAB CN(C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)C1CCCC1 44904181 BPIWBZLQVILLHK-UHFFFAOYSA-N 328.409 1.993 0 40 EDAB Cn1ncc2ccc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)cc21 569060383 WVLVACKYUANAQQ-UHFFFAOYSA-N 344.396 1.151 0 40 EDAB C[C@H](Cn1ncc2ccccc21)C(=O)NS(=O)(=O)CC1CCC1 225470673 PYXCCSYTMJQVAI-GFCCVEGCSA-N 335.429 1.919 0 40 EDAB CN(CC(N)=O)C(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 572407028 AAAWLMCZOMCSAV-UHFFFAOYSA-N 334.326 1.197 0 40 EDAB Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@H]3CN(C)CCO3)cc2)n1 85293897 BITUURYSCNFCOQ-CRAIPNDOSA-N 342.443 1.997 0 40 EDAB CCS(=O)(=O)N1CCn2cc(CN(C)Cc3ccco3)nc2C1 96197481 GAMNIEPEHZNTNP-UHFFFAOYSA-N 338.433 1.273 0 40 EDAB CC[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1nc(C)n[nH]1 96475079 RDKLQLSRBQOIFL-ZDUSSCGKSA-N 325.376 1.639 0 40 EDAB OCCN1CCC2(CC1)C[C@@H](N[C@H]1CCOC1)c1ccccc1O2 96079872 HVGRBADOXRMHRW-DOTOQJQBSA-N 332.444 1.716 0 40 EDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1I 94206229 HOMAQDWMORHNOB-QMMMGPOBSA-N 340.186 1.464 0 40 EDAB O=C(NC[C@H]1Cn2nnc(-c3ccccc3)c2CO1)c1cscn1 96069420 CQBCVDSCZPBOID-LBPRGKRZSA-N 341.396 1.730 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2C(=O)[C@@H]2CCOC2)N1Cc1cccnc1 96186359 SXGQLJQJDQMAQM-PMPSAXMXSA-N 329.400 1.210 0 40 EDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccoc1C 96086916 JUTNQPCCUCBVHZ-HNNXBMFYSA-N 330.388 1.976 0 40 EDAB CN1C(=O)[C@@H](c2ccccc2)CC12CCN(S(=O)(=O)C1CC1)CC2 96199446 KWSCPGFGTHOKQV-MRXNPFEDSA-N 348.468 1.959 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(COCCN(Cc3ccccn3)C2)C1 96062360 WCMBEHDJUMVKAP-LJQANCHMSA-N 341.459 1.540 0 40 EDAB COC[C@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(C)cc2)O1 96186630 HQOKLPIKMLMFFY-KBMXLJTQSA-N 325.430 1.952 0 40 EDAB C[C@@](NC(=O)[C@H]1CCCOC1)(C(N)=O)c1cccc(C(F)(F)F)c1 96454547 XBQSHDODSQLCKQ-BONVTDFDSA-N 344.333 1.949 0 40 EDAB O=C(c1cnccn1)N1CC[C@]2(CCCN(C(=O)c3ccco3)C2)C1 96216710 JNZXZKAWBHSHDH-SFHVURJKSA-N 340.383 1.838 0 40 EDAB CO[C@H]1C[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)N(C)C1 583617314 KHUCDUDTDUNGOS-IRXDYDNUSA-N 332.444 1.570 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccccn2)Cc2ccnn2C1 96189069 ZOYUXTCQXLXILO-OAHLLOKOSA-N 343.431 1.015 0 40 EDAB CN1CCN(C(=O)c2n[nH]c3c2CN(Cc2ccsc2)CC3)CC1 96187420 DSKQGMPROSAAEE-UHFFFAOYSA-N 345.472 1.417 0 40 EDAB O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CC[C@@]2(CCOC2)C1 96462296 DMCLXGLMHKHVHR-GOSISDBHSA-N 343.358 1.624 0 40 EDAB CO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C[C@@H]1Cc1ccccc1 96110186 BCZKASZTWPGXIG-LSDHHAIUSA-N 325.430 1.137 0 40 EDAB COC[C@H]1CC2(CCN(Cc3ccoc3)CC2)CN1S(C)(=O)=O 96208445 UDZMOPRJULIEFF-OAHLLOKOSA-N 342.461 1.542 0 40 EDAB Cc1noc(C)c1C(=O)N1CCC[C@]2(CCCN2S(C)(=O)=O)C1 96214977 CFRBZLOEXUIINP-HNNXBMFYSA-N 341.433 1.322 0 40 EDAB CN(C)c1cc(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)ccn1 96445389 LLAZKRXSPRDFON-CMJOXMDJSA-N 331.441 1.997 0 40 EDAB Fc1cnc(N2CCC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)nc1 96222549 LUTZCIJPDNDECI-XJKSGUPXSA-N 331.351 1.613 0 40 EDAB CNC(=O)c1cnc([C@@H]2CCCN2C(=O)Cc2cccnc2)s1 257319511 VSWIDCLURZVAAH-LBPRGKRZSA-N 330.413 1.804 0 40 EDAB COc1ccc2nnc(CNC(=O)[C@@H](C)Oc3ccccc3F)n2n1 252492752 MVBXQMGYSCRCFV-SNVBAGLBSA-N 345.334 1.356 0 40 EDAB COc1ccc(OCC(=O)N2CCO[C@H](c3nc(C)cn3C)C2)cc1 257237948 HIYJYCDGXWQSJO-INIZCTEOSA-N 345.399 1.716 0 40 EDAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)cc(N(C)C)n1 257282595 OUKQUADJCLRWTI-HNNXBMFYSA-N 347.444 1.772 0 40 EDAB O=C(c1ccc(F)c(Cl)c1)N1CC[C@@](O)(CN2CCOCC2)C1 257273676 NHQPZCSJIFIFGH-MRXNPFEDSA-N 342.798 1.388 0 40 EDAB N[C@H]1CC12CC(NC(=O)c1cccn3ncc(Br)c13)C2 1615544650 AMVGOMGCSVQNPN-PGMTZQPISA-N 335.205 1.706 0 40 EDAB O=C(Cc1ccsc1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390831820 VFRKQBHCEBTTBR-GFCCVEGCSA-N 328.401 1.123 0 40 EDAB CC(C)(C)C1=CCN(S(=O)(=O)CCCN2CCOCC2)CC1 390834455 ZDLXXMGIPFVAOU-UHFFFAOYSA-N 330.494 1.717 0 40 EDAB Cn1ncc(C(F)(F)F)c1CNC1CCN([C@H]2CCOC2)CC1 657752805 ROIASVMPAURRSE-LBPRGKRZSA-N 332.370 1.782 0 40 EDAB O=S1(=O)CC[C@@H](CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 48709538 XOYYCVBLSFUZRJ-NSHDSACASA-N 349.412 1.330 0 40 EDAB CCOc1ccc(Cl)c(C(=O)N2CCC(CC(N)=O)CC2)n1 55285645 XCJWKQMBHNMGGK-UHFFFAOYSA-N 325.796 1.861 0 40 EDAB COc1cc(CNCCS(=O)(=O)c2ccccc2)cc2c1OCO2 65933600 QCSJBYRZJQUZCL-UHFFFAOYSA-N 349.408 1.987 0 40 EDAB COC(=O)c1cc(Cl)c(NC(=O)NCc2nc[nH]n2)cc1OC 65014718 XETHHCVOUCRHCX-UHFFFAOYSA-N 339.739 1.575 0 40 EDAB O=C(O)[C@H]1COCCN1C(=O)/C=C/c1ccc(Br)s1 88374409 MFWMIGSTWJRAPT-HDMKULJXSA-N 346.202 1.836 0 40 EDAB C[C@@H](NC(=O)N1CCN(c2ncccc2F)CC1)C1CCOCC1 90613894 XLCNBGGAXCFXDJ-CYBMUJFWSA-N 336.411 1.867 0 40 EDAB OCCN(CCN1CCOCC1)Cc1ccccc1Br 78922460 BMYVOGXWKLNABC-UHFFFAOYSA-N 343.265 1.576 0 40 EDAB NC(=O)NC1CCN(C(=O)c2ccccc2Br)CC1 96444425 WLHLELCZIHSNFP-UHFFFAOYSA-N 326.194 1.722 0 40 EDAB COc1cccc(O)c1S(=O)(=O)N(C)C[C@@H](O)c1cccnc1 1615057581 UCXJYMTULYVGPQ-CYBMUJFWSA-N 338.385 1.150 0 40 EDAB CN(C)S(=O)(=O)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1 1188769348 BDQNOTUNRZANNE-UHFFFAOYSA-N 335.300 1.370 0 40 EDAB CCOC(=O)c1cnc(SCC(=O)Nc2nccs2)nc1N 5045615 MVOKJVFWLLXHAL-UHFFFAOYSA-N 339.402 1.423 0 40 EDAB CCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 5952547 SSJCSNJXCFGLIJ-UHFFFAOYSA-N 335.223 1.351 0 40 EDAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2nccn2C)C3)C1 12087380 SVDZZQKWMNMZDV-ZDUSSCGKSA-N 342.447 1.298 0 40 EDAB CC1=CC2=NC(=O)C[C@](C)(C(=O)NCc3cc(C4CC4)[nH]n3)N2C=C1 12147229 QFBVFFKUASDBMW-GOSISDBHSA-N 339.399 1.766 0 40 EDAB COc1ccccc1CCNC(=O)C[C@@H]1CSc2nccc(=O)n21 12236208 OGGJESCTSLZBNM-CYBMUJFWSA-N 345.424 1.648 0 40 EDAB CCNC(=O)c1cccc(NC(=O)c2nc3nc(C)cc(C)n3n2)c1 15813054 HBFFOMQZTOXJHD-UHFFFAOYSA-N 338.371 1.743 0 40 EDAB COCc1cccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 17852915 GSBOISNWCDCABN-LBPRGKRZSA-N 348.424 1.971 0 40 EDAB Cc1nccn1CCCC(=O)N1CCN(Cc2ccccn2)CC1 19288103 XYSMHQRCSDWBMC-UHFFFAOYSA-N 327.432 1.711 0 40 EDAB COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@@H]1N2C(=O)O 169748416 PNJFEOGCMIEFTL-XUXIUFHCSA-N 333.340 1.916 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 12145209 YMNYTWYBWIPPCX-LLVKDONJSA-N 339.442 1.396 0 40 EDAB Cc1csc2ncnc(N3CCN([C@@H]4CCNC(=O)CC4)CC3)c12 516957205 RMDJRTQOPLXMMV-ZDUSSCGKSA-N 345.472 1.790 0 40 EDAB COc1nccnc1O[C@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 225494388 LTIFRMXWROITOQ-ZDUSSCGKSA-N 346.387 1.703 0 40 EDAB COc1ccncc1S(=O)(=O)N[C@H](C)Cc1c(C)noc1C 583651536 ODKLJLXGJYFOGI-SECBINFHSA-N 325.390 1.605 0 40 EDAB O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CCN(C2CCOCC2)C1 1889053494 LENOAYZFPLWBTF-LRFDDAOPSA-N 336.457 1.830 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 25301054 ITWNXOFIRHFNRK-QWHCGFSZSA-N 340.383 1.665 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@H]1COc2ccccc2O1 31048034 WXNPXNPKAHZNGR-GXTWGEPZSA-N 342.399 1.937 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1cccc2cccnc12 32075799 HZJPFQFSHOYUPJ-OAHLLOKOSA-N 347.440 1.318 0 40 EDAB O=C1CN(c2ncncc2F)CCN1c1ccnc(C(F)(F)F)c1 1776009164 WTXBZGFTUSTWFM-UHFFFAOYSA-N 341.268 1.883 0 40 EDAB COCC(=O)N(C)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1776009215 VYWYUAOKTMWSLN-UHFFFAOYSA-N 348.353 1.715 0 40 EDAB CCn1ncc(Br)c1C(=O)N(C)Cc1ccnn1C 28233819 DMESXOIAMLFMKB-UHFFFAOYSA-N 326.198 1.671 0 40 EDAB Cc1ccc(C)c(C(=O)NCCn2nnc3ccc(F)cc3c2=O)c1 245026574 NAXKGVSMKXNDRW-UHFFFAOYSA-N 340.358 1.977 0 40 EDAB CN(C)[C@H]1CCOC2(CCN(C(=O)c3cccn(C)c3=O)CC2)C1 1565556440 ICBRVYUTKCTCHX-AWEZNQCLSA-N 333.432 1.101 0 40 EDAB COCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713839 QAJYUZQBTOEFEY-CQSZACIVSA-N 348.447 1.224 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)COc2ccccc2)C1 2055772278 PYZLPLZBWKECHL-SFHVURJKSA-N 342.399 1.026 0 40 EDAB CCn1cc(C(=N)NO)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 1775967078 DRJKVVIULGWNSV-UHFFFAOYSA-N 347.394 1.216 0 40 EDAB COc1ccc(CNC(=O)Cn2cnc3c(c2=O)CCCC3)cc1 49404604 TYBPMRNVTKNADU-UHFFFAOYSA-N 327.384 1.447 0 40 EDAB Cc1cc(NC(=O)C(=O)NCC[C@@H](CCO)c2cccs2)no1 575605717 DBCSLEUXGSCOEB-NSHDSACASA-N 337.401 1.656 0 40 EDAB COc1ccc(CCS(=O)(=O)NC[C@H](O)c2cccs2)cc1 75156079 KCWPJGSFOXCSCT-AWEZNQCLSA-N 341.454 1.952 0 40 EDAB C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CN1)c1ccccc1F 40090997 JCGSVVQNZIEVQO-GFCCVEGCSA-N 340.358 1.953 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCOc1ccccc1F 40489416 VGZSLCUOELPEJC-CYBMUJFWSA-N 344.408 1.135 0 40 EDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1CCc2ccccc21 40486195 ADZBFCBNRZJAFZ-OAHLLOKOSA-N 336.399 1.670 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccc(Cn3cncn3)cc2)C[C@H](C)O1 40489272 BWBHFDUNVJZVJQ-GJZGRUSLSA-N 343.431 1.165 0 40 EDAB Cc1cccc(C)c1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 423431 RRUBLUKUIMCCGT-UHFFFAOYSA-N 345.380 1.634 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N2CCOc3ccccc32)c1 36763934 CNCBZTFEUMVTIJ-UHFFFAOYSA-N 332.381 1.634 0 40 EDAB C[C@@H](NC(=O)c1ccc(OCc2cccnc2)cc1)C(=O)N(C)C 40540953 LPLGNKAMELCJIP-CYBMUJFWSA-N 327.384 1.867 0 40 EDAB CN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)CC1CCCCC1 40511237 UBBYNDACUMUHQL-UHFFFAOYSA-N 334.420 1.149 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)NCCSC(F)(F)F 40539117 BDRWTSOMWQUGRZ-UHFFFAOYSA-N 346.334 1.551 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1cnc2c(cnn2C(C)C)c1 40542864 FUQOOOJPVSTQKE-AWEZNQCLSA-N 331.420 1.903 0 40 EDAB C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 40501149 LUVNAKAELPNFLL-NSHDSACASA-N 343.424 1.610 0 40 EDAB O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCO[C@@H]2CCCC[C@H]21 40553803 HJOSVVGYDIMWKK-HZPDHXFCSA-N 345.374 1.706 0 40 EDAB CC(C)NC[C@H](O)COc1ccc(CCNC(=O)NC(C)C)cc1 1999561 PKWZWSXSCKVUJB-INIZCTEOSA-N 337.464 1.674 0 40 EDAB in-man CC(=O)Nc1ccc(S(=O)(=O)N(C#N)c2nc(C)cc(C)n2)cc1 267492 NXYYSVOFNWOMLV-UHFFFAOYSA-N 345.384 1.728 0 40 EDAB CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)NC4CC4)C3)nn12 32102754 VSNDJWSDCLHNNG-GFCCVEGCSA-N 328.420 1.743 0 40 EDAB COc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1OC 6975338 JJLJWWIRGYNTKH-UHFFFAOYSA-N 325.390 1.855 0 40 EDAB Nc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 7468488 DHKADJJICDWHSB-UHFFFAOYSA-N 325.368 1.994 0 40 EDAB Cc1ccc([C@@](O)(CC(=O)O[C@H](C)C(=O)N(C)C)C(F)(F)F)o1 71916819 DKBJUJOCCRRIQK-RNCFNFMXSA-N 337.294 1.748 0 40 EDAB O=c1ccc(-c2ccc(F)c(F)c2)nn1CC1(O)C[C@H]2CC[C@H](C1)N2 100736835 NOKIGKYRRAFYLY-CHWSQXEVSA-N 347.365 1.834 0 40 EDAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CC1 10010072 CMJWWLDMYANSDN-UHFFFAOYSA-N 340.470 1.842 0 40 EDAB Cn1c(NCC(=O)c2ccc(Cl)cc2Cl)cc(=O)n(C)c1=O 480298 YFPCIWFIENLPGL-UHFFFAOYSA-N 342.182 1.686 0 40 EDAB CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](C)C(=O)O)ccc12 489372 UNWQEALVTBLQIQ-JTQLQIEISA-N 333.340 1.632 0 40 EDAB biogenic Cc1cc(CN2CCN(C(=O)N[C@H](C)Cn3cccn3)CC2)on1 46466549 XUTUUIUQHLHSHI-CQSZACIVSA-N 332.408 1.095 0 40 EDAB Cc1cc2nnc(SCC(=O)NC(=O)NCC(C)C)n2c(C)n1 32922566 GALCSOQGGRZEFV-UHFFFAOYSA-N 336.421 1.315 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN2CCCC[C@@H]2C1 32927708 JJHAFWCOINCXJI-CYBMUJFWSA-N 338.429 1.317 0 40 EDAB Cc1cc(=O)c(C(=O)NC[C@@H]2CCOC2)nn1-c1ccccc1Cl 41373279 AYEAROJOCNQZRF-LBPRGKRZSA-N 347.802 1.961 0 40 EDAB Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2cccn2C)cs1 106823434 GWNYVBMXIWEXNV-HIFRSBDPSA-N 344.440 1.806 0 40 EDAB COc1ccc([C@@H](NC(=O)CN2CCCC2=O)c2nccn2C)cc1 22839609 QLUDGKZOIMIJPG-QGZVFWFLSA-N 342.399 1.257 0 40 EDAB CCC(C)(C)NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23352185 JNWQDSZFLTXHFB-UHFFFAOYSA-N 325.438 1.038 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(F)cc1 24689398 BYULGOLKHKMEDQ-VSGCLNPGSA-N 340.420 1.769 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)ccn2)cc1 24770794 FESQBKBUHUEQGR-UHFFFAOYSA-N 333.413 1.958 0 40 EDAB COC(=O)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(=O)OC 24829487 YHQYRGCWKKVWTA-CABZTGNLSA-N 343.763 1.328 0 40 EDAB O=C(NCc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(=O)[nH]c1 55478687 AKYILOFZUGCNHT-INIZCTEOSA-N 328.368 1.863 0 40 EDAB Cc1c([C@H](C)NC(=O)COc2ccc3c(c2)CCC(=O)N3)cnn1C 25003185 BRWGJWXTGPERNE-NSHDSACASA-N 342.399 1.869 0 40 EDAB COCCN1CCN([C@H](C)C(=O)NCc2cccc(OC)c2)C[C@@H]1C 106776699 LBYNKGFERFVPIL-JKSUJKDBSA-N 349.475 1.352 0 40 EDAB CCN(CC)[C@@H](CNC(=O)c1nccnc1N)c1cccc(OC)c1 25862456 GFFGWRKXUMTXRM-HNNXBMFYSA-N 343.431 1.880 0 40 EDAB CCN(CC)[C@H](CNC(=O)c1nccnc1N)c1cccc(OC)c1 25862461 GFFGWRKXUMTXRM-OAHLLOKOSA-N 343.431 1.880 0 40 EDAB Cc1ncc(CN2CCC3(CC(NC(=O)c4ccncc4)C3)C2)cn1 108525012 RAZWWTZAWJJQHX-UHFFFAOYSA-N 337.427 1.965 0 40 EDAB Cc1ccc(Nc2nc(N)nc(CN3CCN(C)CC3)n2)cc1C 23243740 ORASUJVRMXIZAZ-UHFFFAOYSA-N 327.436 1.562 0 40 EDAB C[C@H]1CN(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 44892583 WHPXDOIIMKPSRD-TUAOUCFPSA-N 341.433 1.214 0 40 EDAB COc1ccccc1CCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1 62089254 HNVASBMKYQNCCV-ZDUSSCGKSA-N 326.418 1.066 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)Cn1nc(-c2ccccc2)ccc1=O 58264629 APOVCSJODDZZCK-OAHLLOKOSA-N 341.411 1.795 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(C(=O)N(C)C)CC2)c1C 44933971 KEHRZVYHOSGSPL-ZDUSSCGKSA-N 348.447 1.705 0 40 EDAB COc1cccc2c1OCC(C(=O)N[C@]1(C)CCS(=O)(=O)C1)=C2 58393200 VULNZRCKSBGGJC-MRXNPFEDSA-N 337.397 1.164 0 40 EDAB NC(=O)c1ccc(CN(CC(=O)NCc2ccco2)C2CC2)cc1 27907373 FIYFNXSWPWNZBO-UHFFFAOYSA-N 327.384 1.659 0 40 EDAB COC[C@@H](C)N(C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 48276422 XRSRTORSRDSSHT-LLVKDONJSA-N 326.418 1.116 0 40 EDAB NC(=O)c1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)cc1 48287730 JIEWWVZNDMTWTK-UHFFFAOYSA-N 325.324 1.994 0 40 EDAB COc1ccc([C@@H](NC(=O)NC[C@@H]2CCOC2)c2nccn2C)cc1 48297607 YSDSEAFGQIJPHK-XJKSGUPXSA-N 344.415 1.854 0 40 EDAB CCCn1c(S[C@@H](CC)C(=O)Nc2cc(C)on2)n[nH]c1=O 12908939 XKSAGFVMIADFKN-VIFPVBQESA-N 325.394 1.787 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(OC(F)F)cc1 13006594 NECREWSXUXYDNI-KOLCDFICSA-N 333.356 1.900 0 40 EDAB NC(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCCO3)cc1 64105230 WAUIYZRSCPZXOH-UHFFFAOYSA-N 342.351 1.252 0 40 EDAB O=S(=O)(NN1CCOCC1)c1ccc(OC(F)(F)F)cc1 4105239 DHNRLHWVMFCOHK-UHFFFAOYSA-N 326.296 1.111 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)CCc3ccco3)CC2)n1 69564523 HLVBUKZPECVFAC-UHFFFAOYSA-N 330.388 1.750 0 40 EDAB NC(=O)[C@H]1CCCN1CCCNC(=O)Cc1ccc2c(c1)CCCC2 69582686 YVESDIOFMNQCMB-GOSISDBHSA-N 343.471 1.564 0 40 EDAB COc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1ccco1 6100878 ODMWNTARKUVDDV-UHFFFAOYSA-N 331.324 1.964 0 40 EDAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1C 5134179 JJYSDTBBSODBBR-UHFFFAOYSA-N 348.380 1.901 0 40 EDAB COc1ccc(C(=O)N(C)CC(=O)Nc2ccc(C)cn2)c(O)c1 69629224 UXYTWFZUKORLFC-UHFFFAOYSA-N 329.356 1.815 0 40 EDAB CCC[C@H](C)CC(=O)NS(=O)(=O)c1cccc(-n2cnnn2)c1 69658212 MVYCQCSEFRRIKH-NSHDSACASA-N 337.405 1.294 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)N1CCC[C@@H](n2ccnc2)C1 69660143 WAYQNNSXMLRHEP-CQSZACIVSA-N 340.383 1.472 0 40 EDAB O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccc(F)cc2)CC1 82311648 BUKDEMWISNTZGD-UHFFFAOYSA-N 340.420 1.299 0 40 EDAB CCOC(=O)CCNC(=O)CCNC(=O)N1CCc2ccccc2C1 69773369 HMENNHLXPRKICT-UHFFFAOYSA-N 347.415 1.214 0 40 EDAB Cn1ncc2c(N3CCC(NC(=O)c4ccoc4)CC3)ncnc21 65410656 SOYBRLOQICZZQP-UHFFFAOYSA-N 326.360 1.355 0 40 EDAB Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)CO)cc2)c1 69709644 RFCJMJXEZUQKRL-CYBMUJFWSA-N 348.424 1.906 0 40 EDAB CCc1nnc2n1C[C@H](CNCc1cn(-c3ccccc3)nn1)CC2 69778903 SBKMSOSNWPEPMV-AWEZNQCLSA-N 337.431 1.773 0 40 EDAB CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(N)=O)nc2c1 6480971 BAJPOLWEUCAVNR-UHFFFAOYSA-N 342.446 1.219 0 40 EDAB COC(=O)c1ccc(OCC(=O)NC(=O)NCc2ccco2)cc1 6405200 WWYYKHNQCHQMAU-UHFFFAOYSA-N 332.312 1.471 0 40 EDAB O=C(CCNC(=O)c1ccccc1)Nc1ccc(-n2cnnn2)cc1 6602927 QNDFCVCZGUXSRE-UHFFFAOYSA-N 336.355 1.421 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)c2ccc(N(C)C)nn2)C1 69848629 KXBRCRSPSVIQRL-ZDUSSCGKSA-N 328.420 1.779 0 40 EDAB CN(C)CCCNC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 69809677 MIHYUIXAZAZABM-UHFFFAOYSA-N 342.461 1.317 0 40 EDAB O=S(=O)(c1ccccc1)N(CCn1cncn1)c1nccs1 69846786 IKTUYLZFYIMWME-UHFFFAOYSA-N 335.414 1.630 0 40 EDAB C[C@H](C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)n1ccnc1 69923417 RMTJQEBCUSRENE-NVXWUHKLSA-N 328.416 1.322 0 40 EDAB CCc1ccc(CCN2CCN(CC(=O)N3CCOCC3)CC2)cc1 69968059 OLABSLQWDYSEQB-UHFFFAOYSA-N 345.487 1.268 0 40 EDAB Nc1ccc2c(N3CCC(C(=O)N4CCCC4)CC3)ncnc2n1 90069396 TYOJVPYCCZAKQI-UHFFFAOYSA-N 326.404 1.446 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)c1ccc2c(c1)OCCCO2 8734442 SLPBSJJACPZPDK-UHFFFAOYSA-N 337.335 1.836 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 7131862 HGNBXHXGSSMNGA-MRXNPFEDSA-N 339.342 1.504 0 40 EDAB O=C(c1cc2n(n1)CCCN(c1ccncc1F)C2)N1CCOCC1 67803770 QBQLPURONUMQMU-UHFFFAOYSA-N 345.378 1.300 0 40 EDAB Cc1cc(C)n(-c2nnc(SCC(=O)N[C@H](C)C(C)C)n2N)n1 18805736 JIHLXYLBEXHKQV-LLVKDONJSA-N 337.453 1.047 0 40 EDAB c1cc2nnnn2nc1NCC1(CN2CCOCC2)CCCCC1 81033793 VPUWOAXKTJBWPE-UHFFFAOYSA-N 331.424 1.214 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@H](c2noc(-c3ccccc3)n2)C1 96000535 GFFPMEHWWQXJPC-ZDUSSCGKSA-N 335.385 1.602 0 40 EDAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC1CCCCCC1 9450303 CGLBMJZUUALVQC-UHFFFAOYSA-N 344.209 1.138 0 40 EDAB CC(C)NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 96791826 UALVIFUDCFTWCC-UHFFFAOYSA-N 330.354 1.747 0 40 EDAB C[C@H]1CN(CC(=O)NCCCc2ccccc2)CCN1C[C@@H](C)O 71864240 SRSNPWLPACVKOV-DLBZAZTESA-N 333.476 1.122 0 40 EDAB NC(=O)CN1CCCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 71829269 HPTZRQCSHACMIC-WMZOPIPTSA-N 345.443 1.174 0 40 EDAB O=C1CSCN1CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 71820000 ZHGSGZYCHZUNFX-ZDUSSCGKSA-N 340.832 1.773 0 40 EDAB CCO[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 71896155 HOIIUSXAAPITJJ-ZLKJLUDKSA-N 326.418 1.278 0 40 EDAB O=C(C1CCN(c2ncccn2)CC1)N1CCN2CCCC[C@H]2C1 71839787 NVHDHGZFAWSHGX-INIZCTEOSA-N 329.448 1.390 0 40 EDAB Cc1csc(NC(=O)CN(C)C[C@H]2CCCN2c2cccnn2)n1 71860037 VJNHSQRRVSKTIL-CYBMUJFWSA-N 346.460 1.781 0 40 EDAB COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)CN1CCCNC1=O 71850983 DSXXCXIXWGHJAW-AWEZNQCLSA-N 347.415 1.240 0 40 EDAB CCc1nnc(CN2CCN(C[C@H](O)c3cccc(F)c3)CC2)n1C 71864069 DUVGFZNQGUZUOU-INIZCTEOSA-N 347.438 1.368 0 40 EDAB CC(C)OCc1ccccc1CNC(=O)CN1CCC(C(N)=O)CC1 71810493 GVWQYFQZCRXLBN-UHFFFAOYSA-N 347.459 1.425 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCC[C@@H](c2nncn2C)C1)c1ccco1 89761874 BGULFYILIZNRGF-ZIAGYGMSSA-N 346.435 1.600 0 40 EDAB O=C(Nc1ccon1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 28304335 OHWZUOJPVJJFOO-GFCCVEGCSA-N 335.385 1.714 0 40 EDAB O=C1CCC(=O)N1C[C@H](O)CN(Cc1ccccc1F)C1CCC1 97014477 NVAQMOIEIQAYQB-OAHLLOKOSA-N 334.391 1.690 0 40 EDAB Cc1nn(CCCNC(=O)c2ccnn2C)c(C)c1Br 28573276 GZRRYJRQPFREGU-UHFFFAOYSA-N 340.225 1.816 0 40 EDAB O=C(CCNc1nc(C2CC2)no1)N1CCN(c2ccccn2)CC1 89883820 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348.516 1.946 0 40 EDAB COc1cccc(C(=O)NC2CCN(c3ncccn3)CC2)c1O 78355073 WFVYXPPYRGKAOX-UHFFFAOYSA-N 328.372 1.590 0 40 EDAB O[C@@H](CN1CCO[C@H](CNc2cccnn2)C1)c1ccccc1F 78893947 KUWMPDPURQQNDV-CJNGLKHVSA-N 332.379 1.462 0 40 EDAB CCCn1nc2c(cc1=O)CN([C@@H](C)C(=O)Nc1cc(C)no1)CC2 78931495 YAKDWBZPOHBNFV-LBPRGKRZSA-N 345.403 1.335 0 40 EDAB Cc1noc(C)c1Cn1cccc(S(=O)(=O)N2CCCC2)c1=O 75165588 CPNVRJFWALHYHP-UHFFFAOYSA-N 337.401 1.286 0 40 EDAB CCCCS(=O)(=O)N(C)C(=O)c1cc(NC(C)=O)ccc1F 75107940 KDQVABMAQSQOOF-UHFFFAOYSA-N 330.381 1.986 0 40 EDAB CCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3cn(C)nc3C)nc21 36617251 HFODEZCBPMRENY-UHFFFAOYSA-N 345.384 1.881 0 40 EDAB Cc1cc(C)nc([C@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)n1 72369674 HXSQUWBVAAAUAT-AWEZNQCLSA-N 336.399 1.854 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@]1(COC)C(=O)O 218148450 BTXAAJYKDNSGIM-UMVBOHGHSA-N 342.369 1.033 0 40 EDAB CS(=O)(=O)N1CCC[C@H](Cc2cncc(NCCO)c2)CC1 72366273 FHKFHHPBEZZJJK-ZDUSSCGKSA-N 327.450 1.090 0 40 EDAB CCOC(=O)c1nc(Cc2ccc(NS(C)(=O)=O)cc2)no1 78404280 QVKQFPXIBRMGOC-UHFFFAOYSA-N 325.346 1.209 0 40 EDAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cnc2sccn2c1=O 72242535 ZLXCDEGRMURWBT-ZDUSSCGKSA-N 341.396 1.662 0 40 EDAB COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)C(F)(F)F 42684535 CXMIMBXJUCZUCQ-UHFFFAOYSA-N 332.278 1.811 0 40 EDAB C[C@@H](NC(=O)c1ccc(NC(=O)c2cn3c(n2)CCC3)cc1)C(=O)O 567970212 KNTKEOVRVPATBV-SNVBAGLBSA-N 342.355 1.285 0 40 EDAB COCCN(C)c1cnn([C@H]2CCCN(C(=O)C(C)C)C2)c(=O)c1 583620165 KRSXFWMRDIFDCG-AWEZNQCLSA-N 336.436 1.145 0 40 EDAB CN(C)CCOC[C@@H]1CN(C(=O)[C@H]2CC=CCC2)Cc2nnn(C)c21 96198536 CUAHIMKQAJDPGB-GJZGRUSLSA-N 347.463 1.175 0 40 EDAB CC(=O)N1CCO[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1 96157145 DIUDDMZHTZMWKK-MRXNPFEDSA-N 338.429 1.089 0 40 EDAB COC[C@H]1c2c(cnn2C)CCN1S(=O)(=O)c1ccccc1C 96197727 DTIVCDNPOGVQOW-AWEZNQCLSA-N 335.429 1.663 0 40 EDAB CCCS(=O)(=O)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 96108182 FKOTYJPZBZOSPO-DZGCQCFKSA-N 344.502 1.621 0 40 EDAB O=C(c1ccnnc1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96107755 LQOJBXCEYOBUNR-WBVHZDCISA-N 326.356 1.324 0 40 EDAB O=C(Cc1ccccn1)N1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 96045825 UOWBAQKEORIATP-AEGPPILISA-N 340.383 1.873 0 40 EDAB O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1csnn1 97095274 DUGAGROVFMNDRF-AWEZNQCLSA-N 332.429 1.425 0 40 EDAB COc1ncccc1CN1C[C@@H]2COC[C@]2(Cc2nc(C)no2)C1 96208309 SRACCEFQVKFIKS-PBHICJAKSA-N 330.388 1.473 0 40 EDAB Cn1cc(N2CCC3(CCN(C(=O)c4ccncc4)CC3)C2=O)cn1 96157969 IMQCHTKXEBRCEN-UHFFFAOYSA-N 339.399 1.474 0 40 EDAB Cn1cc([C@H]2CC(=O)NC23CCN(C(=O)c2ccoc2)CC3)cn1 96199786 DXXQIRLVAVYXSR-CQSZACIVSA-N 328.372 1.292 0 40 EDAB O=C([C@H]1CCCO1)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159758 SZCKERLLUVYITN-APWZRJJASA-N 346.402 1.956 0 40 EDAB O=C(c1ccncc1)N1CCC2(CC[C@H](C(=O)N3CCCC3)O2)CC1 96061248 WGBNVETXJYZALS-MRXNPFEDSA-N 343.427 1.858 0 40 EDAB O=C(c1ccccn1)N1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107832 FISTUZXVOLWYNB-KDOFPFPSSA-N 325.368 1.929 0 40 EDAB COc1ncccc1C(=O)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042105 CUUMMLRWABAHMO-HRCADAONSA-N 332.400 1.889 0 40 EDAB CCn1cc(NC(=O)C(=O)N[C@H]2CCc3ccccc3C2)ccc1=O 96413491 BCUXQIKAKSFKPP-HNNXBMFYSA-N 339.395 1.480 0 40 EDAB CCC(=O)N1CC[C@@H](NC(=O)NCc2ccn(-c3ccccc3)n2)C1 96474917 NSLUVWDVLJRFFE-OAHLLOKOSA-N 341.415 1.682 0 40 EDAB COc1ncccc1C(=O)N1CC[C@H]2C[C@H](c3nc(C)n[nH]3)O[C@@H]2C1 96070656 CHZAUVWMGMNWSF-IACUBPJLSA-N 343.387 1.509 0 40 EDAB CS(=O)(=O)N1CCO[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2C1 96249819 BJKDDLAALBJGLS-GDBMZVCRSA-N 342.436 1.308 0 40 EDAB CCc1oc2ccccc2c1CC(=O)NS(=O)(=O)c1cnnn1C 528993553 PRMUXRAZGYITJA-UHFFFAOYSA-N 348.384 1.171 0 40 EDAB NC[C@]1(CO)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242464013 DSLGTRKEFZYQDB-ZACQAIPSSA-N 335.400 1.703 0 40 EDAB COCCNC(=O)Cc1cn2c(n1)[C@@H](C)N(Cc1ccoc1)CC2 247832758 HYTNWGUPHDUCGB-CYBMUJFWSA-N 332.404 1.358 0 40 EDAB CC(C)OC(=O)[C@H](C)CNC(=O)c1cc(N)nc(Br)c1 585132125 OPHVPFXNAGXFEZ-MRVPVSSYSA-N 344.209 1.744 0 40 EDAB O=C(CCN1CCC[C@@H](CN2CC[C@H](O)C2)C1)Nc1cccc(F)c1 585133432 HZXAFGCPRXTORZ-QAPCUYQASA-N 349.450 1.933 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cnc(S)n2C2CC2)C1 585121654 VEDJSFJMASIWTK-LBPRGKRZSA-N 348.472 1.885 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1[C@H](C2CC2)CC(=O)C[C@H]1C 585114708 UITFJNDSYRPPMK-OTYXRUKQSA-N 325.434 1.558 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@@H]21 585136662 OQYJZDZPAQRIOD-JFGNBEQYSA-N 338.383 1.924 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)s1 257277176 NWTJMDDUXRMZRA-VXGBXAGGSA-N 330.400 1.973 0 40 EDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(C)s3)C2)ncn1 257249222 JHIGHPYZOYEIPX-KRWDZBQOSA-N 346.456 1.868 0 40 EDAB O=C(c1cc[nH]n1)N1CCOC[C@H](Cc2nccn3cccc23)C1 257287557 PQLPJJHJPXHLEK-CYBMUJFWSA-N 325.372 1.389 0 40 EDAB CNc1cc([C@@H]2CCCN2C(=O)CCCn2cncn2)nc(C)n1 257216503 CUTWSFMCGNLSSN-AWEZNQCLSA-N 329.408 1.562 0 40 EDAB Cc1cn(C)c([C@H]2CCN(C(=O)c3cc4c(nc3O)CCC4)C2)n1 257242761 IEAFQXAVRHVIIT-ZDUSSCGKSA-N 326.400 1.948 0 40 EDAB c1ccc(CN2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1 253590016 ATPDMWIPHMPXRB-ZWKOTPCHSA-N 328.416 1.728 0 40 EDAB CN1CCC(c2nccnc2CNS(=O)(=O)c2ccccc2)CC1 257344171 ZWARYFIBNSAHAT-UHFFFAOYSA-N 346.456 1.764 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@H](OC)[C@]3(CCCO3)C2)cc1 257213279 CGWSLSYURQGXDO-HOTGVXAUSA-N 341.429 1.654 0 40 EDAB Cc1ccc(CN(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 260895404 ICLSOECLYCDJIT-CQSZACIVSA-N 326.462 1.917 0 40 EDAB CS(=O)(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 85555717 LDQQAGXNUFRECZ-UHFFFAOYSA-N 333.417 1.175 0 40 EDAB CCOC(=O)[C@@]1(C)CN(Cc2ccc(N3CCCC3)nc2)CCO1 602745400 GRDZPMXWNOMRGD-GOSISDBHSA-N 333.432 1.836 0 40 EDAB CC(=O)N1CCN([C@H](C)c2cnc(C)cn2)CCC12CCOCC2 1615551032 WFLGBOHPJRFTTH-OAHLLOKOSA-N 332.448 1.949 0 40 EDAB C[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1cc(F)ccc1N(C)C 1615544626 ALRZCDHEIWMFAS-LLVKDONJSA-N 343.424 1.393 0 40 EDAB CO[C@@H]1C[C@H](COc2cccnc2)N(C(=O)c2ncccc2F)C1 1615614423 GLECUBJBQNDNHN-TZMCWYRMSA-N 331.347 1.924 0 40 EDAB Cc1nnc(CNC(=O)[C@H]2NCCOc3ccccc32)n1C1CC1 1615616535 RNZORYCHWCPEJA-INIZCTEOSA-N 327.388 1.261 0 40 EDAB COC(=O)C[C@@H](O)CNC(=O)c1nn(-c2ccccc2)c2c1CCC2 600466913 ASVJTPWDJVOIEM-CYBMUJFWSA-N 343.383 1.015 0 40 EDAB O=C(Cn1cnc2ccccc21)N1CC[C@@H](Oc2ncc(F)cn2)C1 390828297 PXWIEBPZVMAWRF-CYBMUJFWSA-N 341.346 1.645 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)COc1cccc(F)c1 585287881 GMDJQBAZXFBGOW-FMKPAKJESA-N 327.352 1.092 0 40 EDAB CNc1cnc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2)nc1 585277890 XJMHHIDSSWJRKS-HOTGVXAUSA-N 326.400 1.727 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585272155 LNRYOQZVYWEDAE-SFHVURJKSA-N 347.390 1.751 0 40 EDAB Cc1ccc(OC[C@]2(O)COCCN(Cc3c[nH]nc3C)C2)cc1 585275237 AWIGJODTMCRECE-GOSISDBHSA-N 331.416 1.669 0 40 EDAB CC(=O)N1CCC(N2CCOC[C@](O)(COc3ccccc3)C2)CC1 585269138 KLKXZKFERSNXTM-IBGZPJMESA-N 348.443 1.140 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)c1ccc(N2CCCC2)cc1 585276744 DLJOQQWAVAPPON-LJQANCHMSA-N 345.443 1.783 0 40 EDAB Cn1ncc2c(NC[C@H]3CN(Cc4ccccc4)CCO3)ncnc21 14215211 GCQWTRQXTCHKQG-HNNXBMFYSA-N 338.415 1.676 0 40 EDAB CN(c1ccc(Cl)cn1)S(=O)(=O)c1ccc(C(N)=O)cc1 66582139 KODFLCILVVWKKU-UHFFFAOYSA-N 325.777 1.659 0 40 EDAB COc1ccc(CC[C@@H]2CCCCN2CC(=O)NC(N)=O)cc1OC 69486615 PAPDUVXEBOEYJZ-AWEZNQCLSA-N 349.431 1.686 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccc(OCC3CC3)nc2)CC1 69981469 IBQFLMMEPRFMBA-INIZCTEOSA-N 333.432 1.399 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)NCCOc2ccccc2)C1 89761890 BGHULYVTTMTOHE-CQSZACIVSA-N 329.404 1.783 0 40 EDAB O=C(CCc1nc(C2CC2)no1)NCC1(N2CCOCC2)CCCC1 81762570 HXBCQPWNXXXGKW-UHFFFAOYSA-N 348.447 1.641 0 40 EDAB CCSc1nnc([C@H]2CCCN2C(=O)N2CCOCC2)n1C 5001564 GROYYAXERKYJMR-LLVKDONJSA-N 325.438 1.516 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@@H]1C[C@@H]1C)n2CC 5113237 SNIPDBZSWYNCGT-WDEREUQCSA-N 348.403 1.406 0 40 EDAB COc1cc2c(cc1OC)[C@H]1C[C@@]3(CCN1CC2)CC(=O)NC3=O 5766732 IEEDLAUTWDHEGT-ACJLOTCBSA-N 330.384 1.430 0 40 EDAB Cc1cnc(-c2nc(O)c3c(n2)CN(C(=O)[C@H]2C[C@H]2C)CC3)cn1 13227844 LTOGVIOADUZUJR-SKDRFNHKSA-N 325.372 1.488 0 40 EDAB COc1ccc(C(=O)Nc2ccc(C(=O)Nn3cnnc3)cc2)cc1 14405681 ZANPOLBUFYWUJM-UHFFFAOYSA-N 337.339 1.923 0 40 EDAB O=C1NCC2(CCN(C(=O)C3CCOCC3)CC2)Oc2ccccc21 19374813 QLPHSRGRVPMKIA-UHFFFAOYSA-N 344.411 1.597 0 40 EDAB O=C(CN1CCOCC1)N[C@H](Cc1ccsc1)c1nccs1 19406493 SIMGMBIYQQKWKP-CYBMUJFWSA-N 337.470 1.937 0 40 EDAB CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)CC(C)C)C3)C1 19446566 FJCBUZMYVIWWAY-CQSZACIVSA-N 330.432 1.743 0 40 EDAB Cc1nc([C@@H]2CCN(C(=O)COc3ccccc3)C2)ncc1C(N)=O 19758297 KKGDNOGZWVZJEC-CYBMUJFWSA-N 340.383 1.279 0 40 EDAB COc1cc([C@@H]2[C@@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)ccc1O 19771440 NKAAALBAEMIJHC-BSDSXHPESA-N 334.368 1.619 0 40 EDAB CC1CCN(C(=O)CSc2nc3c(c(=O)n2C)SCC3)CC1 9560203 CWADCTDJDKAQPN-UHFFFAOYSA-N 339.486 1.779 0 40 EDAB O=C(NC1CC1)c1cn(C[C@@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1888854724 YHXCABRIIKWTIP-CQSZACIVSA-N 339.399 1.219 0 40 EDAB CN(CC1CN(c2cnc3ccccc3n2)C1)S(=O)(=O)C1CC1 1888866678 HDIUHULAUBLXGV-UHFFFAOYSA-N 332.429 1.490 0 40 EDAB O=C(c1csnn1)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 1565549531 YZUAQHBGQOJDIB-ILXRZTDVSA-N 346.412 1.522 0 40 EDAB Cc1ccc(C)c(-c2nnc(NC(=O)CN3C(=O)CCC3=O)o2)c1 5169681 QFSKESPEWMVUHV-UHFFFAOYSA-N 328.328 1.441 0 40 EDAB Nn1c(COc2ccc(Cl)cc2)nn2c(=O)c3ccccc3nc12 10433805 IMAUXOXRUWFKBH-UHFFFAOYSA-N 341.758 1.990 0 40 EDAB COC[C@@H]1CN(C(=O)C2CC(F)(F)C2)Cc2nnn(CC3CC3)c21 2055750978 UDJQSSWHVABHEC-LBPRGKRZSA-N 340.374 1.806 0 40 EDAB Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2c(C)noc2C)o1 2055747591 LJNUCZJSMQXZMW-DOTOQJQBSA-N 345.399 1.918 0 40 EDAB Cc1nc(C(=O)N2CCC(C(=O)N(C)C)(n3cccn3)CC2)cs1 2055772920 WPESWDVFVNFYNK-UHFFFAOYSA-N 347.444 1.368 0 40 EDAB CC(C)CCNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713609 NKFCFVMIGHHGMU-CQSZACIVSA-N 348.447 1.080 0 40 EDAB Cc1cnccc1OCC1CCN(CC(=O)N2CCOCC2)CC1 2086860401 OTDXTYGILBOODA-UHFFFAOYSA-N 333.432 1.340 0 40 EDAB Cn1c(-c2ccccn2)nn(CCNC(=O)c2ccccc2F)c1=O 38533241 AHOPQFRWVRHGAB-UHFFFAOYSA-N 341.346 1.213 0 40 EDAB CN(C)c1cccc(C(=O)NCc2nccnc2-c2cnn(C)c2)c1 575620160 QHIIXQRYIGPQAX-UHFFFAOYSA-N 336.399 1.873 0 40 EDAB Cc1cc(O[C@H]2CCN(S(=O)(=O)c3cccs3)C2)nc(C)n1 585147333 GERQRTKSMGGMKG-LBPRGKRZSA-N 339.442 1.997 0 40 EDAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccccc1C(N)=O 14031847 ZIBOMCIJHCHWEU-JTQLQIEISA-N 344.396 1.326 0 40 EDAB CCN1CCC[C@H]1CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 40120128 ATMYBRXGRZDGOF-INIZCTEOSA-N 342.443 1.766 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)o1 31483550 YLLXMUCHOWALLZ-CYBMUJFWSA-N 334.397 1.995 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CCO1 50856380 ITQWKJHRENACNN-CQSZACIVSA-N 342.420 1.840 0 40 EDAB O=C(CCN1C(=O)CCC1=O)N[C@@H](c1ccccc1)C(F)(F)F 59301705 KHPXEGYRPDQFOV-AWEZNQCLSA-N 328.290 1.945 0 40 EDAB C[C@H](CN1CCOCC1)NS(=O)(=O)C1=Cc2ccccc2CC1 40528168 IASPPUNKYJRAEA-CQSZACIVSA-N 336.457 1.614 0 40 EDAB O=C(CCN1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 40536489 ZSQAAEVORSDNNU-INIZCTEOSA-N 346.427 1.844 0 40 EDAB CC(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)n[nH]1 40553453 XCMXLLJTUQHRKL-UHFFFAOYSA-N 329.404 1.695 0 40 EDAB CC(=O)[C@@H](NC(=O)Cn1cnc2ccc(Cl)cc2c1=O)C(C)C 31740900 BEGAUXGQBKQILG-HNNXBMFYSA-N 335.791 1.780 0 40 EDAB CC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)n1 29029042 JLKIQOGSAUXJMP-UHFFFAOYSA-N 343.386 1.441 0 40 EDAB CCCOc1ccc(C(=O)NC(=S)Nc2nnn(CC)n2)cc1 6593405 ZSKFUSJEYQQQKQ-UHFFFAOYSA-N 334.405 1.609 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC(C)C)cc1OC 108014586 QWEZPAMGENJVFE-LLVKDONJSA-N 344.433 1.143 0 40 EDAB COc1cc([C@@H]2C=C(C(=O)O)Nc3nnnn32)ccc1OC(C)C 101675515 WKURHTLCDRHALQ-NSHDSACASA-N 331.332 1.452 0 40 EDAB Cn1cc(CNC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2=O)cn1 71909554 PBVLIPFSGAYUGC-HNNXBMFYSA-N 345.378 1.554 0 40 EDAB O=C(NCc1cccs1)[C@H]1CC[C@@H]2[C@@H](CCN2c2ncccn2)O1 107207904 LAWOJIUPMLOFJA-RBSFLKMASA-N 344.440 1.981 0 40 EDAB Cc1ccc(CNC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1 32754947 RLTORIIYDGTSMS-QZTJIDSGSA-N 347.459 1.532 0 40 EDAB Cn1ncc2c(N3CCN(c4cccc(Cl)n4)CC3)ncnc21 52453022 FZGOFVSJBGTCBR-UHFFFAOYSA-N 329.795 1.738 0 40 EDAB O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1COc2ccccc2O1 32876308 SULRMGHVKUVHBO-INIZCTEOSA-N 336.351 1.724 0 40 EDAB CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CC)C2)c(C(N)=O)c1 71915303 PLHKWCGOWFTKLG-GFCCVEGCSA-N 347.415 1.771 0 40 EDAB CSc1ncc(Cl)c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)n1 37164496 CPANDEONPZWAGB-LLVKDONJSA-N 335.838 1.159 0 40 EDAB C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 32913391 CPZPFXNRUWUSEH-KRWDZBQOSA-N 342.330 1.626 0 40 EDAB CN1C[C@H](C(=O)NCc2ccc(OCc3cccnc3)cc2)CC1=O 46831524 IUTUAISEPBNXFP-MRXNPFEDSA-N 339.395 1.755 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 108418714 MDGHRGKPIQKICQ-CSMYWGQOSA-N 334.391 1.983 0 40 EDAB COc1cc(N[C@@H]2CC(=O)N(C3CC3)C2=O)ccc1N1CCCC1=O 103022487 BDBPLBUUZIKRQU-CYBMUJFWSA-N 343.383 1.524 0 40 EDAB Cc1cc(C)n(CC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)n1 46933595 BRJFGMDSQDLRDA-UHFFFAOYSA-N 341.459 1.886 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNC(=O)C1CCN(S(C)(=O)=O)CC1 47009599 JQIPCBUCPIOACU-DZGCQCFKSA-N 346.493 1.370 0 40 EDAB O=S(=O)(NC[C@H]1CCCN1)c1ccc(F)cc1Br 53254481 KLXGORFOCBZEEQ-SECBINFHSA-N 337.214 1.619 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)c2cccc(C(F)(F)F)c2)n1 12490060 DLRALVWSLFGVBX-UHFFFAOYSA-N 341.293 1.896 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)Cn3ccnc3)CC2=O)c(F)c1 42532810 YNHSHQATODABJV-KBPBESRZSA-N 344.390 1.888 0 40 EDAB CCOC(=O)C12C3[C@@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 101049489 BBEXDNJULWVKLO-LIBQNVOSSA-N 327.174 1.178 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1CN1CCC[C@H](C(F)(F)F)C1 23841815 KYXXKZPJJSACOW-JOYOIKCWSA-N 337.367 1.646 0 40 EDAB COCCCNC(=O)[C@H](C)N1CCN(c2nc(C)cs2)CC1 47891246 FKGAXODASBDNMR-ZDUSSCGKSA-N 326.466 1.115 0 40 EDAB CC(=O)NCCNC(=O)N1CCC(Oc2c(C)cccc2C)CC1 43140438 AXFLNEQXDSCPBX-UHFFFAOYSA-N 333.432 1.992 0 40 EDAB COC(=O)CCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 3229547 RJSMJFZPIBHDKS-UHFFFAOYSA-N 342.398 1.592 0 40 EDAB CN1C[C@@H](NC(=O)c2cccc(I)c2)CC1=O 69653370 AGYGQTIMSPIGIS-JTQLQIEISA-N 344.152 1.252 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 55734145 SHTZPRUPVPTOAV-KGLIPLIRSA-N 342.848 1.868 0 40 EDAB O=C(Nc1ccccc1)C1CCN(C[C@H](O)CN2CCOCC2)CC1 25300226 VICBREDYVDSYLN-SFHVURJKSA-N 347.459 1.030 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCc1ccccc1 55941871 NRYYLLMAXYDNRP-UHFFFAOYSA-N 339.438 1.877 0 40 EDAB Cc1nn(C(F)F)c(C)c1CC(=O)NCCCCN1CCOCC1 58010655 ZJARIHLPJKSQAG-UHFFFAOYSA-N 344.406 1.666 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 44893447 NHIFKCKFTZAJSC-UHFFFAOYSA-N 342.486 1.781 0 40 EDAB Cc1cc(C)n2c(SCn3nnc4ccccc4c3=O)nnc2n1 3378800 PKNPTDMLJWXKTB-UHFFFAOYSA-N 339.384 1.596 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(c2cnccn2)CC1 27628192 JUDZBAQQMVYNBA-OAHLLOKOSA-N 337.427 1.576 0 40 EDAB O=C(NCc1ccccc1-n1cccn1)NCc1nnc2ccccn12 58201310 QLIWEVSYSQVVTB-UHFFFAOYSA-N 347.382 1.914 0 40 EDAB CCCc1nnc(S)n1CC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 58249225 ITZWOUYJPURXNM-QWHCGFSZSA-N 339.509 1.756 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccccc1OC(F)F 58264133 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CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NCCCOCc1ccco1 70038298 LKYINWIVFOKNRS-OCCSQVGLSA-N 346.449 1.266 0 40 EDAB CC(C)(C)CC(=O)NCC(=O)N1CCC(c2n[nH]c(C3CC3)n2)CC1 69394219 BNAOQDMCDPFIPU-UHFFFAOYSA-N 347.463 1.941 0 40 EDAB Cc1ccc(F)cc1C(=O)N1CCC[C@H](C(=O)N2CCN(C)CC2)C1 69383880 QRKSCJJZTZZTEE-HNNXBMFYSA-N 347.434 1.760 0 40 EDAB CCOC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=C1SCC(=O)N12 4077896 UVGHDRGQXQVMNW-ZENOOKHLSA-N 332.381 1.961 0 40 EDAB O=C(C[C@H]1N=C(N2CCOCC2)N=C1O)Nc1ccccc1Cl 13688409 MFDWTVJIHHRTST-GFCCVEGCSA-N 336.779 1.696 0 40 EDAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1F 6059219 VVHSFLHWSODJNH-UHFFFAOYSA-N 349.339 1.827 0 40 EDAB CC[C@@H](CCNC(=O)CNC(=O)c1ccccc1)N1CCCC1=O 69489801 XVBMURJSIYWHPO-HNNXBMFYSA-N 331.416 1.324 0 40 EDAB Nc1nccnc1C(=O)NCC1(c2cccc(F)c2)CCOCC1 69418819 OQIXEKICQIKBTF-UHFFFAOYSA-N 330.363 1.676 0 40 EDAB COc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc(OC)c1 5252787 ZSVXORGAHVTADJ-UHFFFAOYSA-N 348.380 1.999 0 40 EDAB CCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCCOC)C3)cc1 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CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1Cc1cn(C)cn1 257265530 LZAQPPXKRUYCBT-MRXNPFEDSA-N 328.420 1.492 0 40 EDAB Cn1ccc(C(=O)N2CCC(c3cc(O)n4nccc4n3)CC2)n1 257334472 YGBJTYQQXCYQOB-UHFFFAOYSA-N 326.360 1.188 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)c2cnc(O)nc2O)CCN1C 257296494 RDCNPCGOXFXMKR-ZDUSSCGKSA-N 344.371 1.025 0 40 EDAB CCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1cccc(OC)c1 257312145 UMQSEVCRUNCMHI-WBVHZDCISA-N 334.416 1.757 0 40 EDAB COC(=O)[C@@H]1CCCN(C(=O)c2occc2C(C)C)[C@H]1C(=O)OC 252496591 PMLGCWAHTOXQEU-CHWSQXEVSA-N 337.372 1.970 0 40 EDAB CCOc1cc2c(cc1/C=C/C(=O)N1CC[C@@H](C(N)=O)C1)O[C@@H](C)C2 41128856 XCHPTPHSWQJVNU-VSYHDTTKSA-N 344.411 1.756 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccoc2C2CC2)[C@H](O)C1 585128039 QHHJFJNEZVVMSX-QWHCGFSZSA-N 336.388 1.867 0 40 EDAB Cc1nc(-c2ccc(C(=O)N3CCN(C)C[C@H]3CO)cc2)cs1 585127988 OTYYRBRMHPYTDA-HNNXBMFYSA-N 331.441 1.867 0 40 EDAB NS(=O)(=O)CC1CCN(C(=O)NCCC[C@@H]2CCCCO2)CC1 252492901 MWYSSXQYLXJLCG-AWEZNQCLSA-N 347.481 1.046 0 40 EDAB Cc1cc(CCC(=O)O)nc([C@@H]2CCCN(Cc3nccn3C)C2)n1 257270699 MVHOJNYKZWTVGM-CQSZACIVSA-N 343.431 1.915 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)CCn2ccc(C)n2)n1 257341857 ZMEVXAIHHLQOQW-AWEZNQCLSA-N 344.419 1.322 0 40 EDAB COC(=O)c1cccc2c1CCCN2C(=O)COCc1ccnn1C 252507337 WHUCIFCYSGBNEK-UHFFFAOYSA-N 343.383 1.703 0 40 EDAB Cc1ocnc1C(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257209831 BSBNOKYQCXRKCK-UHFFFAOYSA-N 327.344 1.751 0 40 EDAB CC(C)[C@@H]1CN(S(=O)(=O)CCS(C)(=O)=O)c2ccccc21 278870782 MYVSIPMZDGGUKA-ZDUSSCGKSA-N 331.459 1.621 0 40 EDAB CCn1c(O)nc2cc(C(=O)N3CC[S@@](=O)C[C@H](C)C3)ccc21 597563783 CUBCHLWXBQZHQB-QVQLBTGDSA-N 335.429 1.602 0 40 EDAB CC1(C)Cc2cc(C(=O)NC3(CC(N)=O)CCOCC3)ccc2O1 1615046220 GUAYWLIYOWRCDD-UHFFFAOYSA-N 332.400 1.555 0 40 EDAB O=C(C1CC(F)C1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 585109127 XJUIDXUVTXOAJQ-HDWXEKECSA-N 341.423 1.653 0 40 EDAB CO[C@@H]1CCN(Cc2ccccc2C(=O)O)C[C@H]1CC(=O)N(C)C 585276913 PYDFXHAPADSILC-GDBMZVCRSA-N 334.416 1.700 0 40 EDAB CC(=O)N1CCN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)C[C@H](CO)C1 585282585 HNBBVCDHGXQODP-JENIJYKNSA-N 340.508 1.726 0 40 EDAB O=C(Cn1cccnc1=O)NCCOc1cccc(Cl)c1Cl 56340311 ZVHPCJRZMOXSPB-UHFFFAOYSA-N 342.182 1.745 0 40 EDAB Cc1nnc2n1CCN(CC(=O)NCCc1c[nH]c3ccccc13)C2 69461809 FGHTZZIDOCWHHB-UHFFFAOYSA-N 338.415 1.242 0 40 EDAB CCCCCN(CCO)Cc1nnc2n(C)c(=O)c3ccccc3n12 71911872 CFEKOOXKZJDLDM-UHFFFAOYSA-N 343.431 1.566 0 40 EDAB CNS(=O)(=O)c1ccccc1N1CCN(Cc2occc2C)CC1 93049140 LCVQWNVVSHBXBG-UHFFFAOYSA-N 349.456 1.818 0 40 EDAB COc1ccc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)cc1 105883062 UXKNIMLUPXJPEO-CQSZACIVSA-N 329.404 1.637 0 40 EDAB Cn1c(=O)oc2ccc(CNC(=O)N3C[C@@H](N)C4(CCC4)C3)cc21 1615588514 BYAVEPBQJPRWSN-CQSZACIVSA-N 330.388 1.154 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)N1CCN(C2CCC2)CC1 1615613802 BUYYFFUCBUKXGO-IBGZPJMESA-N 329.444 1.492 0 40 EDAB CO[C@H]1CCOC[C@@H]1NC(=O)Cc1csc(-c2cccnc2)n1 1615618402 VGUAFXTUPVQZNP-KBPBESRZSA-N 333.413 1.668 0 40 EDAB O=C(CNC(=O)c1ccc(Br)o1)Nc1ncccc1O 12540063 FBFCUQCHKSVGES-UHFFFAOYSA-N 340.133 1.511 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2ccc(-n3cncn3)cc2)n1 14801115 ALDGMOGLHIJNMU-UHFFFAOYSA-N 328.357 1.004 0 40 EDAB Cc1nc(N(C)C)ncc1C(=O)NCCc1nc2ccccc2n1C 19552779 FTTAJQYVGWWTFK-UHFFFAOYSA-N 338.415 1.710 0 40 EDAB CC1CCN(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)CC1 19656661 VPVQSXKHTDMZFV-UHFFFAOYSA-N 340.449 1.297 0 40 EDAB CC(=O)N[C@@]12CCN(CCc3ccccc3)C[C@@H]1CN(C(C)=O)C2 19713043 PPLRNTPLMWRSOI-RTBURBONSA-N 329.444 1.288 0 40 EDAB CCOc1ccccc1OCc1nnc2n1C[C@H](C(=O)OC)CC2 601044116 HBJMVJFLNYCIND-GFCCVEGCSA-N 331.372 1.991 0 40 EDAB COCCN1CCC(CNS(=O)(=O)c2ccc(F)cc2C)CC1 22999859 GSSXZHNTIAWBCK-UHFFFAOYSA-N 344.452 1.771 0 40 EDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)C(C)(C)C)C[C@H]4C3)ncnc21 1066002751 VRMHLJJOMTWGBH-BETUJISGSA-N 342.447 1.787 0 40 EDAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)NC3CCOCC3)C2)nc1 1889119409 PQTLMOBUHUCOEA-OAHLLOKOSA-N 333.436 1.574 0 40 EDAB NC(=O)c1cc(OC2CN(C(=O)Nc3ccccc3F)C2)ccn1 1889184620 MJWIAXJNZHGYIQ-UHFFFAOYSA-N 330.319 1.615 0 40 EDAB NC(=O)c1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1 29367678 RVKZFZXHHXCUDP-UHFFFAOYSA-N 347.484 1.877 0 40 EDAB Cc1nnc2c(N3CC(N4CCc5sccc5C4)C3)nccn12 1776001133 AASLAUVTDMKTST-UHFFFAOYSA-N 326.429 1.741 0 40 EDAB COc1ccc2nnc(CNC(=O)c3nccc4ccccc34)n2n1 245070505 QMRXSGTWSYOZEB-UHFFFAOYSA-N 334.339 1.611 0 40 EDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)[C@@H]4CC4(C)C)C[C@@H]32)cs1 2056224147 FDGZTYWROBHLCL-KKUMJFAQSA-N 335.473 1.909 0 40 EDAB Fc1cnc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)nc1 2086968350 FEANOGORJXLGJZ-UHFFFAOYSA-N 337.362 1.794 0 40 EDAB O=C(CSc1nnc2[nH]c(=O)ccn12)Nc1ccc(Cl)cc1 4249826 CKNUIUZKWAIKRF-UHFFFAOYSA-N 335.776 1.802 0 40 EDAB Cc1ccc(N2C[C@@H](NC(=O)NC[C@H]3CCCO3)CC2=O)cc1C 4373193 LLHDEFCASKVQFT-GOEBONIOSA-N 331.416 1.887 0 40 EDAB O=C(NCCCc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 10326468 PMMXIEWPDORTSQ-UHFFFAOYSA-N 340.379 1.781 0 40 EDAB O[C@@H]1CCN(Cc2noc3c2C[C@H](NCc2cccnc2)CC3)C1 2055732547 NOOFDQNPVPVFJE-HUUCEWRRSA-N 328.416 1.283 0 40 EDAB COc1ccc(CCNC(=O)NCC[C@H](O)c2cccn2C)cc1 217951078 XGXKNTRBXPFVAT-KRWDZBQOSA-N 331.416 1.999 0 40 EDAB CCCCOc1ccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)cc1 575615201 CMVXBNKJPZOFFK-UHFFFAOYSA-N 346.383 1.916 0 40 EDAB O=c1c2c(nc3ccccn13)CCN(S(=O)(=O)c1cccs1)C2 225778234 RVGSJXARIHHMHB-UHFFFAOYSA-N 347.421 1.503 0 40 EDAB O[C@@H]1CCCC[C@@H]1N1CCN(c2cc(-n3cccn3)ncn2)CC1 2298178402 OCYFJXSEEGTCSV-LSDHHAIUSA-N 328.420 1.088 0 40 EDAB CCOC(=O)c1c(SCC(=O)Nc2ccccc2)nc(=O)[nH]c1C 15883383 OIMBJZGGYRRENW-UHFFFAOYSA-N 347.396 1.986 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(Cc3nc(C)no3)C2=O)cc1OC 40489687 LKEZFPNUJKTJDP-MRXNPFEDSA-N 346.343 1.362 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)NCCCN3CCCC3)CC2=O)c1 40496189 CPPHQKACLVOPIM-HNNXBMFYSA-N 345.443 1.650 0 40 EDAB CS(=O)(=O)c1ccc([C@@H](O)CNC[C@H]2Cc3ccccc3O2)cc1 69153768 SGUZWMUCWFBYAI-WBVHZDCISA-N 347.436 1.717 0 40 EDAB COc1cc(C(=O)N2CCOC[C@@H]2C)cc(Cl)c1OCC(N)=O 40509698 FGSBSXMUYPIAMR-VIFPVBQESA-N 342.779 1.074 0 40 EDAB COc1ccc([C@@H](CC(=O)Nc2c[nH]ccc2=O)NC(C)=O)cc1 40555051 FHXLILFEHVEHIN-CQSZACIVSA-N 329.356 1.590 0 40 EDAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(=O)n(C)c1 40539339 UMPSVEKHZSUHSP-UHFFFAOYSA-N 341.411 1.494 0 40 EDAB O=C(NCCCN1CCOCC1)c1cc(-c2cccc(F)c2)no1 40535397 AXHRSZYMCPGTGM-UHFFFAOYSA-N 333.363 1.933 0 40 EDAB O=C(Cn1cc(I)cn1)NCc1ccco1 1431339 VNPQFMJUPKCYOF-UHFFFAOYSA-N 331.113 1.397 0 40 EDAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2-c2ccccc2)CCO1 51164155 WNYRWYDLAGYXOU-OAHLLOKOSA-N 346.408 1.228 0 40 EDAB CC[C@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccc(OC)cc2)C1 20567595 URZRUZZKRXJVLJ-NSHDSACASA-N 330.388 1.518 0 40 EDAB C[C@@H]1CC(=O)N(C)c2ccccc2N1S(=O)(=O)c1cnn(C)c1 71924104 BBSGISFFNQVNBC-LLVKDONJSA-N 334.401 1.370 0 40 EDAB Cc1nn(C)c(C(N)=O)c1NC(=O)[C@]1(C)Oc2ccccc2N=C1O 40796642 GLMNSGIYDQTVMP-MRXNPFEDSA-N 343.343 1.205 0 40 EDAB CCOCCCNC(=S)N1CCC(NC(=O)C(C)(C)C)CC1 4888610 ACMBRDVFMDAANU-UHFFFAOYSA-N 329.510 1.914 0 40 EDAB Cc1ccc(N(CC(=O)NCCCOC(C)C)S(C)(=O)=O)cc1 6476605 MJBDXDAYBHSBNP-UHFFFAOYSA-N 342.461 1.692 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)NC(C)(C)C)ccc21 6535387 LQTPFRPXUPHMQW-UHFFFAOYSA-N 345.399 1.796 0 40 EDAB CCN(CC)S(=O)(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1 32771318 ZXINAJUYDDERES-UHFFFAOYSA-N 325.434 1.337 0 40 EDAB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1 102283116 SYUOXNUKISVYAW-ZIAGYGMSSA-N 344.367 1.344 0 40 EDAB Cc1csc(CNC(=O)CCN2C(=O)COc3ccccc32)n1 21482734 ZVUJGPVSRAYTQE-UHFFFAOYSA-N 331.397 1.883 0 40 EDAB CC(=O)N[C@@H](CC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(C)cc1 32879684 CSSPGZUHEFCRGA-INIZCTEOSA-N 347.459 1.935 0 40 EDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccn1 32937248 KIJLDQNMOKRICN-NSHDSACASA-N 348.380 1.654 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 41618455 DURAIBQOBLCEEE-LBPRGKRZSA-N 336.413 1.834 0 40 EDAB Cn1nc(CC(=O)N(C[C@@H]2CCOC2)C2CC2)c2ccccc2c1=O 46936222 GGSSULPUDLMURY-ZDUSSCGKSA-N 341.411 1.504 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC)(C(=O)OC)N[C@H]2c1ccccc1F 100420641 XVWSLVWCEQQYGW-AHXJXLJNSA-N 348.374 1.413 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(C(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 103335506 PTSYEASAIZWFBC-TUVASFSCSA-N 337.489 1.373 0 40 EDAB CN(CC(=O)N1CCC[C@H]1c1ccsc1)[C@@H]1CCS(=O)(=O)C1 47165707 XRSPUWQBRUHHCU-KGLIPLIRSA-N 342.486 1.531 0 40 EDAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(C)nc2)CC1 22989381 ZWSKWAPPGJPVPV-UHFFFAOYSA-N 349.387 1.284 0 40 EDAB CNC(=O)c1ccc(=O)n(CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 107316680 ZUJXNWWFDBVAJE-OSFYFWSMSA-N 331.416 1.149 0 40 EDAB CCn1cc(C(=O)NCCCN2CCOCC2)c(=O)c2ccccc21 22234514 JRKFFPQSSLVXJT-UHFFFAOYSA-N 343.427 1.474 0 40 EDAB Cc1ccc(-c2nc(C)c(C(=O)N3CCN(CC(N)=O)CC3)s2)o1 56968308 UYHJCBYXMFVXMW-UHFFFAOYSA-N 348.428 1.263 0 40 EDAB CCOC(=O)C1=C(CN(C)Cc2ccc(C)cc2)NC(=O)N[C@@H]1C 57450437 UPLNDNMVOPZMNT-CYBMUJFWSA-N 331.416 1.945 0 40 EDAB CC(=O)NCCNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 44891251 IRUVJQKOHNSZEB-UHFFFAOYSA-N 344.868 1.365 0 40 EDAB CC(C)(C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccccc1 58268315 PLROORDDOANDNO-SJLPKXTDSA-N 346.471 1.818 0 40 EDAB COc1ccc(OC)c(N2C[C@H](C(=O)N3CCO[C@H](C)C3)CC2=O)c1 44908712 WZGFRDMSFWGULK-CHWSQXEVSA-N 348.399 1.304 0 40 EDAB COCCOc1ccc([C@H](C)NC(=O)c2ccc(O)nn2)cc1OC 44954751 DRQNOYZORNCVTQ-NSHDSACASA-N 347.371 1.707 0 40 EDAB COc1ccc(F)cc1[C@H](C)NC(=O)NC[C@H]1CCS(=O)(=O)C1 44968233 NEYNDJNCOZPOCT-WDEREUQCSA-N 344.408 1.629 0 40 EDAB C[C@@H](NC(=O)NC[C@]1(N2CCOCC2)CCSC1)c1ccco1 44951813 NAXLEXHFZNNJGW-CZUORRHYSA-N 339.461 1.848 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CSCN1C(=O)C1CCC1 69391368 URCPZWSBNBTGGT-ZDUSSCGKSA-N 348.424 1.733 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(CC(=O)NCc3cccs3)CCO2)n1 69349823 WSEINKMHNSKVPN-OAHLLOKOSA-N 348.472 1.579 0 40 EDAB Cc1noc([C@@H](C)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1 69350551 QBKZGJTUXAEJNY-LLVKDONJSA-N 340.387 1.773 0 40 EDAB COCCOc1cccc(NC(=O)N[C@H](C)CN2CCCC2=O)c1 48260809 HRSMTYHJEPQPES-CYBMUJFWSA-N 335.404 1.844 0 40 EDAB COc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c(O)c1 3443401 LELBDDYCXKOOLD-UHFFFAOYSA-N 336.344 1.326 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N1CCCCC1 3600866 NBXSXZQFQHXXQB-LJQANCHMSA-N 341.411 1.783 0 40 EDAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCc2cncnc2C1 69570209 YQBRVFOKJYICKD-SECBINFHSA-N 331.401 1.022 0 40 EDAB CCOCCN1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 69627408 QCAPMODAICMJJU-ZDUSSCGKSA-N 340.855 1.716 0 40 EDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 65403868 OCAVWJFLPZTXIH-ZDUSSCGKSA-N 349.431 1.125 0 40 EDAB Cc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](CS(N)(=O)=O)C2)c1 69779812 FSPBKHUFBFUTRI-KGLIPLIRSA-N 339.461 1.323 0 40 EDAB COc1ccc(Oc2ccc(CNC(=O)[C@@H](C)NC(N)=O)cn2)cc1 65552402 WTKJSSYPHJYHQI-LLVKDONJSA-N 344.371 1.556 0 40 EDAB O=C(NCc1cccnc1)c1nn(-c2ccccc2F)nc1CO 8613531 ROHPRHFWBMLGMW-UHFFFAOYSA-N 327.319 1.224 0 40 EDAB CCN(Cn1nc(SC)sc1=S)[C@H]1CCS(=O)(=O)C1 14161856 FCMSTTOMUMIZNI-QMMMGPOBSA-N 339.533 1.862 0 40 EDAB Cc1nc(C(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)cs1 65643166 VKGCBXFZNPKDGR-UHFFFAOYSA-N 340.382 1.341 0 40 EDAB CC[C@@H](NC(=O)c1cnn(C)c1C)c1ccccc1OCC(=O)NC 65603771 FLESFCAPAHJSDS-OAHLLOKOSA-N 344.415 1.734 0 40 EDAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)NC(N)=O 5430248 IXGREGYMKWDSFU-JTQLQIEISA-N 333.417 1.564 0 40 EDAB CCOC(=O)C[C@H](c1cccc(OC)c1)c1oc(CO)cc(=O)c1O 71280111 SWRHXKNERIPEFX-CQSZACIVSA-N 348.351 1.931 0 40 EDAB Cc1ccc(CNC(=O)CN2CCC[C@H](Cn3cncn3)C2)cc1 69919983 PVCRPHRMUUQCOX-KRWDZBQOSA-N 327.432 1.615 0 40 EDAB Nc1c(C(=O)NCc2ccc(F)cc2)nnn1Cc1ccccc1 4852146 WTOUQYVCUCQXBG-UHFFFAOYSA-N 325.347 1.978 0 40 EDAB Cc1coc2cc3oc(=O)c(CC(=O)NC[C@H](O)CO)c(C)c3cc12 8879830 FIHDTINUMCECJV-NSHDSACASA-N 345.351 1.168 0 40 EDAB biogenic CCc1cc(N2CCC(NC(=O)Nc3cnn(C)c3)CC2)ncn1 96451133 RRTRDPULFWGNSR-UHFFFAOYSA-N 329.408 1.563 0 40 EDAB CCCN1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)CC1 23624907 VQPABHAJDHSSNX-KRWDZBQOSA-N 331.460 1.995 0 40 EDAB Cc1cc(C)n2nc(C)c(C(=O)N3CCN(CC(C)(C)O)CC3)c2n1 71881849 QPCGMIVUPAKAFV-UHFFFAOYSA-N 345.447 1.183 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)N1CCN2CCCC[C@H]2C1 71839903 VENHBNMHWAXQJU-HNNXBMFYSA-N 340.427 1.483 0 40 EDAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCCS(C)(=O)=O 71837262 BVYOGNOBAKPHTK-UHFFFAOYSA-N 343.399 1.902 0 40 EDAB CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1cccnc1 71889598 CPJBOHZKBHDZST-QGZVFWFLSA-N 325.412 1.830 0 40 EDAB CCCCNC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 71858792 LKUHQEFTSOJFOJ-CQSZACIVSA-N 339.461 1.939 0 40 EDAB CS(=O)(=O)NCc1ccc(NC(=O)[C@H]2CC2(Cl)Cl)cc1 72287496 KECPDHQHANBXHL-SNVBAGLBSA-N 337.228 1.868 0 40 EDAB Cc1ccc(C)c(SCC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1 72292889 QXDYHKAEFZVXKJ-CYBMUJFWSA-N 342.486 1.675 0 40 EDAB CCOC(=O)CC[C@@H](NC(=O)c1cccnc1OC)C(=O)OCC 72288588 KLORKDAQDFAEFA-GFCCVEGCSA-N 338.360 1.095 0 40 EDAB CCn1cc(C(=O)NCC(C)(C)C(N)=O)c(=O)c2cc(Cl)ccc21 97046544 URKIGWJXUUHPSU-UHFFFAOYSA-N 349.818 1.916 0 40 EDAB CN(C)C(=O)N1CCN(Cc2cn(C)nc2-c2cccs2)CC1 97033837 ASZUPTCKGKFZBY-UHFFFAOYSA-N 333.461 1.948 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCc4nccn4C3)cn2)n1 97197474 IBVLWUMFLNOISF-OAHLLOKOSA-N 336.399 1.825 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)c1cc(=O)n(C)c2ccccc12 72325674 JFOAOAYFKZGYBL-ZDUSSCGKSA-N 348.424 1.563 0 40 EDAB biogenic CC(=O)c1cc(F)ccc1OC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 75582952 MWMVMWOJHAFZMP-LLVKDONJSA-N 343.376 1.605 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCc2[nH]c3ccccc3c2C1 84593420 MPJLVXKYTJBKPM-NSHDSACASA-N 333.413 1.423 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H](C)COCc3ccccc3)CCO2)n1 76045033 AKEPCICPFBOQOA-CJNGLKHVSA-N 344.415 1.866 0 40 EDAB C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCCS(C)(=O)=O 76018167 IEVVVEAZZBIZJU-LLVKDONJSA-N 332.853 1.957 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c4c(cccc24)CC3)C1 95367672 SSCFKRVWLUUUOZ-ZDUSSCGKSA-N 337.379 1.211 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@H](Nc2ccc3nnnn3n2)C1=O 95398155 XCRVAVAWHOVVTH-LBPRGKRZSA-N 341.350 1.574 0 40 EDAB O=C(CCN1CCC[C@H]1C[C@@H](O)c1ccccc1)N1CCOCC1 76107036 HLXAUFGYQJQQGN-ZWKOTPCHSA-N 332.444 1.823 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)CN1C(=O)N[C@@H](C(C)C)C1=O 25008297 XUHJXYLZSRFIKO-NHYWBVRUSA-N 333.388 1.449 0 40 EDAB Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H](NS(C)(=O)=O)C2)o1 95982595 KNUCXIOXPKFEKD-CYBMUJFWSA-N 338.433 1.492 0 40 EDAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1 408606184 OBXDFDCTVRZGCV-UHFFFAOYSA-N 342.461 1.964 0 40 EDAB CCOC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 35443663 GGMMHKSXTOMDOG-UHFFFAOYSA-N 335.360 1.128 0 40 EDAB NC(=O)CN1CCN(C(=O)c2ncoc2-c2cccc(Cl)c2)CC1 36734941 IXMWYEDWKMXWIH-UHFFFAOYSA-N 348.790 1.238 0 40 EDAB CCNC(=O)NC(=O)COc1ccccc1I 31656549 BKMACBUCMLOLBV-UHFFFAOYSA-N 348.140 1.516 0 40 EDAB O=C(O)[C@@H](NS(=O)(=O)c1c[nH]c2ncccc12)c1cccc(F)c1 548564745 BISFASCVXVGEJB-ZDUSSCGKSA-N 349.343 1.806 0 40 EDAB CN(Cc1ccccc1)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 185835394 OAARHDRATZJXFC-QGZVFWFLSA-N 345.443 1.952 0 40 EDAB Cc1nonc1NC(=O)CN1CCC([C@H]2CCCCN(C)C2=O)CC1 72372002 GVPBCWGHMYOFKZ-CQSZACIVSA-N 349.435 1.287 0 40 EDAB COC[C@]1(N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218100473 UEGKXVRTHSEBQD-SQNIBIBYSA-N 347.436 1.979 0 40 EDAB O=C(NCCN1C(=O)CCCC1=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 528677451 BHZJFGJRRNICTL-LSDHHAIUSA-N 332.375 1.975 0 40 EDAB CNC(=O)NC(=O)CN1CCC(Cn2c(C)nc3ccccc32)CC1 38535814 XPDJRLDTFRNYOO-UHFFFAOYSA-N 343.431 1.512 0 40 EDAB COc1ccc(CC(=O)NCCNc2nc(C)cc(N(C)C)n2)cc1 38670722 OCNXMOGCQKBALA-UHFFFAOYSA-N 343.431 1.630 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCc1ccc(C(=O)O)c(C2CC2)n1 565953709 JGXZDFPFHYXFNU-UHFFFAOYSA-N 342.399 1.866 0 40 EDAB COCCN1C[C@H](c2nc3ccccc3n2CC(=O)OC)CC1=O 76555356 UVYTZDWEDRZZDR-GFCCVEGCSA-N 331.372 1.172 0 40 EDAB CCOC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218197237 PYCMUXXXFWUWNF-AGIUHOORSA-N 348.262 1.694 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 75940632 YYUGDNSYPNILLH-CYBMUJFWSA-N 331.401 1.822 0 40 EDAB Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(C)n3)C2)n1 75166421 MGKBEVBPODMVJN-CYBMUJFWSA-N 327.388 1.339 0 40 EDAB CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cnc3sccn3c2=O)C1 223184185 OBOZMXXMWYOCLP-NSHDSACASA-N 348.428 1.133 0 40 EDAB O=C1N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 40166558 FGWICQUBDWIKGF-NXEZZACHSA-N 331.191 1.144 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(F)cc2)s1 225404316 OHXIMJPFHDEMMO-UHFFFAOYSA-N 344.393 1.504 0 40 EDAB Cc1ccccc1C[C@H](CO)NC(=O)C[C@@H](C)N1CCCCC1=O 194215881 GSOQKINHSGGDKL-NVXWUHKLSA-N 332.444 1.806 0 40 EDAB O=C(NCC[C@@H](O)C(F)(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 195530779 JRDDFIHMAXGCJY-UONOGXRCSA-N 346.349 1.317 0 40 EDAB Cc1cc(C)cc(OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 48368124 CJWNWJRLCRFLKF-XIRDDKMYSA-N 329.396 1.994 0 40 EDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(Br)cc1F 42645834 UBXMZJHXGQECHZ-VIFPVBQESA-N 345.168 1.822 0 40 EDAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)n1cc(-c2ccccc2)cn1 227165599 IBIGPXZUAGJNSR-ZDUSSCGKSA-N 326.400 1.835 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(F)c2)s1 222782222 SJAVAJAWWOMCEX-UHFFFAOYSA-N 330.366 1.827 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)c1nn(C)c2c1CS(=O)(=O)CC2 40714268 GVGYPCCKJUWNSE-NSHDSACASA-N 345.424 1.482 0 40 EDAB COc1nn(C)cc1C(=O)Nc1cc(-c2ccco2)nn1CCO 42384684 SUTSSGITCBXKME-UHFFFAOYSA-N 331.332 1.130 0 40 EDAB CCn1nccc1N1CCC[C@@H](Nc2nccn3nc(C)cc23)C1=O 225491804 VPIOPHKIOMJSEN-CYBMUJFWSA-N 339.403 1.862 0 40 EDAB COc1cc(N2CCC[C@]3(C[C@H](CN4CCOCC4)CO3)C2)ncn1 96075591 KHMYICPPSZOJLN-QAPCUYQASA-N 348.447 1.193 0 40 EDAB Cc1ccc(OCCC(=O)NC[C@@H](C)N2CCN(C)CC2)cc1C 96403433 QNGJSUSKIYGYMN-QGZVFWFLSA-N 333.476 1.824 0 40 EDAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)NCCCO)ccc21 96183049 NPLGZLQXOGVMQD-UHFFFAOYSA-N 340.445 1.382 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C[C@@H]2C(=O)O)cc1 96198732 OINJSBLQUOUIIA-HZPDHXFCSA-N 332.400 1.385 0 40 EDAB Cn1cc(CN2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)cn1 96202036 MBTWTMYQSJMESG-SFHVURJKSA-N 334.464 1.123 0 40 EDAB Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1cnc(N(C)C)n1C)C2 96431041 LFJJMLPXCIXBHH-MRXNPFEDSA-N 328.416 1.723 0 40 EDAB Cc1ccc(CN2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)o1 96108806 ZOMNLYOYIQKYHF-APWZRJJASA-N 348.443 1.675 0 40 EDAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(Cc1ncnn1C)CC2 580201894 JYJGKTYLQHECBJ-CYBMUJFWSA-N 346.387 1.406 0 40 EDAB CC(C)c1ccc([C@@H](N)CNC(=O)c2cnc(C(=O)O)cn2)cc1 580837161 NSZLIALLARSTNX-ZDUSSCGKSA-N 328.372 1.728 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1CCO[C@@H](c2nncn2C)C1 583623643 UUCHAQLUVHVJPQ-APIJFGDWSA-N 335.452 1.272 0 40 EDAB Cn1cc(C(=O)N2CC3(C[C@@H](OCc4cccnc4)CCO3)C2)cn1 248156170 VQXWPMLWHOHKBV-INIZCTEOSA-N 342.399 1.406 0 40 EDAB O=S(=O)(C1CC1)N1Cc2ccnn2[C@H](CCN2CCCCC2)C1 247360441 ZFDIJLXKKDJKCG-OAHLLOKOSA-N 338.477 1.608 0 40 EDAB Cn1cc(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)cn1 248157499 WDWBBSZZBRXXEX-HYVNUMGLSA-N 328.416 1.874 0 40 EDAB CCN1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)C1 245289695 DMMTZYSFYAKJQH-XJKSGUPXSA-N 339.386 1.380 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@]1(COC)C(N)=S 242688288 VMVORXNUJKQNGT-SCRDCRAPSA-N 331.434 1.645 0 40 EDAB CCOc1ccccc1CN1CCN(C(C)=O)C[C@H](C(=O)NC)C1 257241759 HZMOJUXWFFSQJP-MRXNPFEDSA-N 333.432 1.112 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccnc(OCCOC)c2)C1 253405659 SYRCVBDUXJOBBA-CQSZACIVSA-N 336.388 1.522 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257312851 UPVDAGJJHZJNEL-IAGOWNOFSA-N 347.390 1.369 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)Cc3nonc3C)CCO2)n1 257253318 JYKRSUHAJJDWCJ-MRXNPFEDSA-N 345.403 1.290 0 40 EDAB CC1CCC(N(C)C(=O)CN2CCC[C@@H](c3nnc(N)o3)C2)CC1 585116391 SWCGNBNGMSPFFL-ROKHWSDSSA-N 335.452 1.868 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)C2=Cc3ccccc3OC2)CCO1 257326589 WXTPYKRAPFGDPK-HNNXBMFYSA-N 338.367 1.435 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)CN(C)C1CCCC1 257236248 HBIOMCMVORZLPO-QGZVFWFLSA-N 346.475 1.819 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC[C@H]2CCc2ccncc2)CC1 257282689 OUVBUTNWDBJUPF-SFHVURJKSA-N 331.460 1.852 0 40 EDAB CC(C)c1nc(CCNS(=O)(=O)[C@H]2C[C@H]2c2ccccc2)n(C)n1 1616002408 AVXYQAHBXPDSKL-GJZGRUSLSA-N 348.472 1.957 0 40 EDAB Cn1cnc(S(=O)(=O)N2CC[C@H](Oc3ccncc3Cl)C2)c1 575605337 JTGZVOURMRWJLW-JTQLQIEISA-N 342.808 1.311 0 40 EDAB O=C1CCCN1C[C@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1 575406072 VEFNNIYREQUVOX-CQSZACIVSA-N 344.411 1.636 0 40 EDAB CC(C)C(=O)Nc1ccc(CNC(=O)Nc2cnn(CCO)c2)cc1 56518155 IYNCAVQLIBHOOS-UHFFFAOYSA-N 345.403 1.792 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNCc1ccc(OCCN(C)C)cc1)CN2 65623850 HHUMUZSHRWIQKA-KRWDZBQOSA-N 343.475 1.963 0 40 EDAB COC(=O)CCNC(=O)c1ccc(NC(=O)c2cc(C)n[nH]2)cc1 68772575 AGOAAWUIFXBZJN-UHFFFAOYSA-N 330.344 1.263 0 40 EDAB COC(=O)c1sc2ccccc2c1CNC(=O)CCn1cncn1 69708676 OIFMRBREEQGSKL-UHFFFAOYSA-N 344.396 1.986 0 40 EDAB COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccncc2)cc1 69743253 DICOMWUIVBZYHO-UHFFFAOYSA-N 349.456 1.843 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@]2(OC)CCSC2)c(C)c1 96097670 VCZAPMHSAGJQJF-AWEZNQCLSA-N 331.459 1.804 0 40 EDAB COc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1O 96765930 OEMKNKZVZDTBQS-MICXRRPDSA-N 343.360 1.236 0 40 EDAB CCN1CC[C@@H](NCCNS(=O)(=O)c2ccc(C)s2)[C@H](C)C1 90581893 YTAFLBJJILSQGS-TZMCWYRMSA-N 345.534 1.655 0 40 EDAB CCn1cnc2c(N3CCN(c4ncc(F)cn4)CC3)ncnc21 273468147 HYNDNZHWUCATEV-UHFFFAOYSA-N 328.355 1.102 0 40 EDAB Cc1nocc1S(=O)(=O)N1CCC[C@H]2c3ncn(C)c3CC[C@H]21 1615585281 AJDYXGQRWYHCIM-VXGBXAGGSA-N 336.417 1.600 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N1CC(Cn2cncn2)C1 952964446 BDOGOACUVZTMST-UHFFFAOYSA-N 342.808 1.261 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCCc1ccccn1 19576286 ABMVNAVKAQOORY-RZQQEMMASA-N 349.390 1.828 0 40 EDAB O=S(=O)(C1CC1)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888855940 ZDJGBIIQSOUYHE-ABAIWWIYSA-N 341.408 1.589 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](c2ncon2)C1 238862113 KXFOGGLYGPEWFE-JTQLQIEISA-N 337.357 1.019 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3C[C@@]32C(=O)N2CCC(C)CC2)n(C)n1 2056225366 OOKCBBAHGUAWNN-KDOFPFPSSA-N 330.432 1.592 0 40 EDAB Cc1ncnc(C(=O)N2Cc3c(Cn4cccc4)nn(C)c3C2)c1C 1565553994 IOAGFQXFZDTPNT-UHFFFAOYSA-N 336.399 1.833 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC[C@]2(C[C@H](Nc3cnccn3)CO2)C1 1565552163 PRHSHJKFSNJFPD-KEYYUXOJSA-N 332.404 1.075 0 40 EDAB O=C(c1cc[nH]c1)N1CCOC[C@]2(C[C@@H](Cn3ccnc3)CO2)C1 1565546614 AXFLDZWZRRBULO-YOEHRIQHSA-N 330.388 1.159 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@@H]3[C@H](Cn4cccn4)CC[C@@H]32)cn1 2055729687 WBGQVUSNJJKKGN-YESZJQIVSA-N 326.400 1.906 0 40 EDAB O=C(/C=C/c1cccs1)N1CC[C@@]2(C[C@H](n3cnnc3)CO2)C1 2055839588 VMTGEEKNSMWRGE-JNFNSLLPSA-N 330.413 1.986 0 40 EDAB CC(=O)OC(C)(C)C(=O)NCC1(N2CCOCC2)CCSCC1 1775974398 FZJGEVFENXJEFE-UHFFFAOYSA-N 344.477 1.042 0 40 EDAB CN(C)c1cccc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1 1775966078 SBIFIDHYDYQNAG-UHFFFAOYSA-N 343.362 1.171 0 40 EDAB CN(C)c1ccc(Nc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1 12227482 LVMQFKPLMMWZLS-UHFFFAOYSA-N 325.372 1.442 0 40 EDAB Cc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1C 492405 BULXGANJNOAQMG-UHFFFAOYSA-N 341.415 1.242 0 40 EDAB C[C@H]1CN(S(=O)(=O)N[C@@H]2CCOc3ccccc32)C[C@@H](C)O1 40039912 BPITZLNOAVXRTQ-MBNYWOFBSA-N 326.418 1.454 0 40 EDAB CCCCN1C(=O)NC(=O)/C(=C(/C)NCCCN(CC)CC)C1=O 20325472 GAPRWAMBVOZZJR-BUHFOSPRSA-N 338.452 1.460 0 40 EDAB CN(C[C@H](O)CN1CCOCC1)[C@@H]1CCCN(c2ccccc2)C1 83858965 OSXIZMQNKNNKEY-MOPGFXCFSA-N 333.476 1.280 0 40 EDAB CCOC(=O)c1c(NC(=O)c2cnccn2)sc(C(N)=O)c1C 2503063 VWPKMSORBBHOCE-UHFFFAOYSA-N 334.357 1.374 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCN(c3ccccc3O)CC2)cs1 40513952 KPKVDCKBIBDJFC-UHFFFAOYSA-N 346.412 1.770 0 40 EDAB COc1ccc(C(=O)NC(=O)NC2(C(F)(F)F)OCCO2)cc1 1470980 ZRLGZFBSKNHBGJ-UHFFFAOYSA-N 334.250 1.398 0 40 EDAB Cc1c(C)c2ccc(OC[C@@H](O)CN3CCOCC3)cc2oc1=O 20734279 USIJIADNEVGWML-AWEZNQCLSA-N 333.384 1.482 0 40 EDAB COCCN(CC(=O)N(C)C)Cc1cc(Cl)c2c(c1)OCCO2 51920757 VKJUKPPDQVWOJH-UHFFFAOYSA-N 342.823 1.648 0 40 EDAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 6274167 ZPIBDHZJPNLLML-VIFPVBQESA-N 349.250 1.642 0 40 EDAB CN1CCN(C[C@@H]2OC[C@H]3CN(CCc4ccccc4)CC[C@H]32)CC1 107201814 DUTFFPJOWDFWMY-NJYVYQBISA-N 343.515 1.813 0 40 EDAB O=C(CCSc1nncs1)N1CCN(c2ncccn2)CC1 32777128 JUINDTOSRFFNKD-UHFFFAOYSA-N 336.446 1.159 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 32776132 YVFMEGKQRQYZRG-LKFCYVNXSA-N 340.326 1.846 0 40 EDAB COC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 46322424 HACIKDXFWYCYBZ-NSHDSACASA-N 338.354 1.955 0 40 EDAB COc1ccc(N2C(=O)[C@H]3ON=C(C(=O)c4ccco4)[C@H]3C2=O)cc1 100355163 KSPXJRDIKWFAOB-DOMZBBRYSA-N 340.291 1.415 0 40 EDAB CCOC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 8350773 AXPZHXPTQUOPDP-UHFFFAOYSA-N 344.389 1.285 0 40 EDAB O=C(CNC(=O)NCc1ccc(F)cc1)NCCc1ccccc1 32879082 QGUSJAXCABEFFG-UHFFFAOYSA-N 329.375 1.984 0 40 EDAB Cc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)n1C 21634832 RJHQNKQRWHJCMV-UHFFFAOYSA-N 335.429 1.514 0 40 EDAB O=C(CCCn1nnc2ccccc2c1=O)NCCc1ccccc1 425470 GCPIZCMZVFTIGN-UHFFFAOYSA-N 336.395 1.931 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnn(C[C@@H]2CCCO2)n1 71910034 RPFTZRJRXRTWQU-LSDHHAIUSA-N 329.404 1.979 0 40 EDAB Cn1ccc(CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1=O 52906265 USBAEOGVGLAKCH-KRWDZBQOSA-N 346.452 1.575 0 40 EDAB Cc1cccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)c1N 9835002 QCGPWBYLAUKMCE-UHFFFAOYSA-N 341.367 1.760 0 40 EDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCOc2ccccc21 103100527 GUSGTKJQLUYHKK-OKILXGFUSA-N 342.395 1.977 0 40 EDAB O=C(N[C@H]1CCCOc2ccc(F)cc21)[C@@H]1CCS(=O)(=O)C1 53366779 PCRJNJDAHFXVON-MFKMUULPSA-N 327.377 1.590 0 40 EDAB O=C(CN1CCN(CCO)CC1)NCC1(c2ccccc2)CCCC1 42287243 OAABYKNYSZSVTO-UHFFFAOYSA-N 345.487 1.225 0 40 EDAB CN(CCCNC(=O)c1ccccc1OCC(N)=O)CC(F)(F)F 46833394 GYSDYRGTVZIFIY-UHFFFAOYSA-N 347.337 1.165 0 40 EDAB CCN(CC(F)(F)F)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 102703200 OUDHCWCNMOYFSE-GFCCVEGCSA-N 342.317 1.916 0 40 EDAB Cn1cc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cn1 23880044 ISIIOLWNTOWLCC-ZDUSSCGKSA-N 328.420 1.758 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(C[C@H](O)COCc2ccccc2F)C1=O 24090629 JLHAQWLGHVEKKP-ZFWWWQNUSA-N 338.379 1.670 0 40 EDAB COCCNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 12482815 RRTUPDFEHDSKKK-UHFFFAOYSA-N 345.376 1.440 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)Nc2ccccc2)CC1 24246678 HMCQABQJYWUEJB-MRXNPFEDSA-N 344.459 1.254 0 40 EDAB O=C(NCCNc1cnccn1)NC[C@H](c1ccco1)N1CCCC1 43168137 IDHCTYJORJNRCG-CQSZACIVSA-N 344.419 1.618 0 40 EDAB COCC(=O)N1CCN(C(=O)c2ccccc2Br)CC1 37506185 SHLLXOUEYVZLJP-UHFFFAOYSA-N 341.205 1.380 0 40 EDAB CCNC(=O)c1cccc(NC(=O)N2CCN(CC(F)F)CC2)c1 61747894 GJVHLULYVGBYDE-UHFFFAOYSA-N 340.374 1.851 0 40 EDAB CS(=O)(=O)c1ccccc1NC(=O)N1CCN(CC(F)F)CC1 61748765 KYCCREXHXZSQIK-UHFFFAOYSA-N 347.387 1.505 0 40 EDAB O=C(COC(=O)c1ccc2c(c1)OCC(=O)N2)NCc1cccs1 24970946 AEVBKYAFDCVKDH-UHFFFAOYSA-N 346.364 1.552 0 40 EDAB COc1ccccc1/C=C/CN[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C 106918533 HDNSFQLTSXQSTB-AFDQWNBZSA-N 338.473 1.968 0 40 EDAB Cc1ccc(C)c(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)c1 56335625 BZJOZRYCHOMFIO-AWEZNQCLSA-N 345.399 1.271 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)cc1 44334929 IDNLLCUMGURXGF-INIZCTEOSA-N 345.443 1.208 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Cn2ccc(=O)[nH]c2=O)C2CC2)o1 27277772 VMHWGOMXEPKBDV-RISCZKNCSA-N 343.383 1.444 0 40 EDAB CCOCCCNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 2093689 ZKXJJQPYCCGERU-UHFFFAOYSA-N 342.461 1.612 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@H](C)N1 109067215 PHJWPTOLAIMIGV-UWVGGRQHSA-N 333.251 1.820 0 40 EDAB CCCSCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 58279862 MROPINIRPQXQIG-UHFFFAOYSA-N 335.473 1.595 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCOc1cccc(F)c1 27716627 HHGGHJLWKCPAPP-AWEZNQCLSA-N 344.408 1.135 0 40 EDAB CCCS(=O)(=O)N1CCC(NCc2c(C)nn(C)c2OC)CC1 58394359 ZQXSQLMFFMRKNO-UHFFFAOYSA-N 344.481 1.031 0 40 EDAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)C(C)(C)C)cc1 3248545 XHZMUABMAKOEEK-UHFFFAOYSA-N 327.402 1.432 0 40 EDAB CC(C)Cn1nc2n(c(=O)c1=O)C[C@H]1CCN(Cc3ccco3)C[C@@H]21 306126825 FGGDICVUHDZZKD-UKRRQHHQSA-N 344.415 1.273 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCc3csc(C)n3)CC2)on1 45344499 FZIDGESPZDHKQO-UHFFFAOYSA-N 335.433 1.775 0 40 EDAB COCCNC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 10958199 BGKPXKKHQYAWCO-LLVKDONJSA-N 347.440 1.975 0 40 EDAB COCCNC(=O)NC(=O)COC(=O)c1cc2ccccc2cc1O 3348397 JMVSOYMWVYOVAM-UHFFFAOYSA-N 346.339 1.174 0 40 EDAB O=C(COc1ccc(-n2cnnn2)cc1)N1CCc2ccccc2C1 3356134 FWHKYCIQQYYULR-UHFFFAOYSA-N 335.367 1.626 0 40 EDAB Cc1ccc(O)c(C(=O)c2cnn([C@]3(C)CCS(=O)(=O)C3)c2)c1 48301693 VMHSUKDYUUULLC-MRXNPFEDSA-N 334.397 1.662 0 40 EDAB O[C@@H](COCc1cccs1)CN1CCO[C@H](Cn2cccn2)C1 69536359 DXKLFUBEDRLRLK-CABCVRRESA-N 337.445 1.223 0 40 EDAB CC(C)Oc1cc(Br)ccc1C(=O)N(C)CC(N)=O 69562094 XMBQAYZZFJXVSB-UHFFFAOYSA-N 329.194 1.794 0 40 EDAB COC(=O)[C@H]1CN(Cc2cc(F)ccc2Br)CCO1 69529160 PIHGXTXOUUJFTJ-GFCCVEGCSA-N 332.169 1.962 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@H]1CCCN(Cc3ccccc3)C1)C2 69459092 GNCTWGOWSOXBBD-KRWDZBQOSA-N 339.443 1.841 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN1Cc1nnsc1Cl 49332488 PDVFEHNMKWYAIV-SSDOTTSWSA-N 328.747 1.834 0 40 EDAB CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@H]1CCN(C(C)C)C1 69485761 CRGPZZTWRDTFMC-KRWDZBQOSA-N 346.475 1.817 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)COCc2ccccc2)CC1 69419269 WFFQVUULHXIGFU-KRWDZBQOSA-N 345.443 1.144 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Cl)cn1 13570902 BCBWPLPBRMQHHU-UHFFFAOYSA-N 330.731 1.377 0 40 EDAB C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCS(N)(=O)=O 69601802 CDDYSNSFDKZYIT-SSDOTTSWSA-N 341.216 1.165 0 40 EDAB Cc1cccc(-c2cccc(CNC(=O)Cn3ccc(=O)[nH]c3=O)c2)c1 69652831 DGLITPSZGJWUBI-UHFFFAOYSA-N 349.390 1.828 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)N1CCC[C@H](n2ccnc2)C1 69660140 WAYQNNSXMLRHEP-AWEZNQCLSA-N 340.383 1.472 0 40 EDAB COCCn1ccc(NC(=O)NCc2cc(OC)cc(OC)c2)n1 69777607 WEECHOXBTIOBCI-UHFFFAOYSA-N 334.376 1.868 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCN(C)CC1 13946817 VKSYRLUVDRVHPP-UHFFFAOYSA-N 334.445 1.425 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)OCc1cn2ccccc2n1 6354231 SPUUNTZGLIAPNE-UHFFFAOYSA-N 335.319 1.674 0 40 EDAB Cc1ccc(N2N=C(C(=O)N[C@@H](C)c3ccccn3)NCC2=O)cc1 65434996 VLCPYYGCUJGZLX-ZDUSSCGKSA-N 337.383 1.517 0 40 EDAB COc1cc(NC(=O)Cn2cccc(C)c2=O)cc(OC)c1OC 65515375 SHSJLMJSGNTMEZ-UHFFFAOYSA-N 332.356 1.821 0 40 EDAB C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1nc(-c2ccccc2)c[nH]1 65608450 GCYYUQJKGVLALH-NSHDSACASA-N 325.372 1.862 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)c2nccc3ccccc23)CC1 69814705 FWXPQRBOCRPARZ-UHFFFAOYSA-N 333.413 1.342 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCc1cccc(Cl)c1 14261440 QLBZQLNZLYQOIA-UHFFFAOYSA-N 349.818 1.863 0 40 EDAB COC[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 66084291 GSDOZYOOSPWBAM-AWEZNQCLSA-N 325.752 1.235 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2c(C)nn(C(C)(C)C)c2C)CC1 69951541 RHROQTTYUPZJIU-OAHLLOKOSA-N 336.480 1.784 0 40 EDAB COCCNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 4736580 SALRAZWNRNENIM-SNVBAGLBSA-N 334.825 1.257 0 40 EDAB O=C(O)c1ccc(-n2cnnn2)cc1-n1cc(Br)cn1 14987811 LFYMQZOAEBPKFN-UHFFFAOYSA-N 335.121 1.309 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 15083212 HUFGRJPXPTUJFX-RVSPLBMKSA-N 334.347 1.873 0 40 EDAB CC(C)Cn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccco1 8762277 OQGWKNRQFHCTBX-UHFFFAOYSA-N 349.416 1.838 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCC(C(=O)N2CCCC2)CC1 67141772 OJPSRMBLVVNESP-UHFFFAOYSA-N 344.411 1.932 0 40 EDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2noc(C)n2)cc1 80316385 YPHLBJQYJIVAND-CQSZACIVSA-N 328.372 1.494 0 40 EDAB CN(C)Cc1cc(N(C)C)nc([C@H]2CCCN(c3ncccn3)C2)n1 72352023 SLDRFHHQOSRSMA-AWEZNQCLSA-N 341.463 1.778 0 40 EDAB C[C@H](NC(=O)c1cccnc1N1CCCC1)C(=O)NCc1ccco1 68018463 CUZBEPUQJRRTDS-ZDUSSCGKSA-N 342.399 1.710 0 40 EDAB CCCCn1c(N)c(N(C)C(=O)/C=C/c2ccco2)c(=O)[nH]c1=O 7799543 UFOGJRHUFVEMLM-BQYQJAHWSA-N 332.360 1.188 0 40 EDAB CCOc1cccc(C(=O)N[C@H]2CCCc3cn(CC(N)=O)nc32)c1 96002859 UIGVYAPXVVEOIO-HNNXBMFYSA-N 342.399 1.575 0 40 EDAB COC(=O)c1c(NC(=O)CCN2CCOCC2)sc2c1CCC2 19791872 CWECPCAIBYRBMG-UHFFFAOYSA-N 338.429 1.684 0 40 EDAB Cc1ccccc1C1(C(=O)N2CCO[C@H](C(N)=O)C2)CCCCC1 72059602 OODPKDWCBHTSJF-INIZCTEOSA-N 330.428 1.910 0 40 EDAB CSc1ncc(C(=O)NCC(C)(C)C(N)=O)n1-c1ccccc1 72011233 BAXYBVHQYJRRSR-UHFFFAOYSA-N 332.429 1.836 0 40 EDAB C=CC(=O)NCCNC(=O)[C@@H](C)Oc1cccc(Br)c1 96426467 PTDKPFJHAVULIQ-SNVBAGLBSA-N 341.205 1.635 0 40 EDAB NC(=O)CN(C(=O)c1csc(-c2ncccn2)n1)C1CCCC1 71821152 CRYPVNJJPWIKTF-UHFFFAOYSA-N 331.401 1.470 0 40 EDAB CCn1ccnc1CN1CCN(CCC(=O)NC(C)(C)C)C[C@@H]1C 71863877 MMMJVZIXAVLEIM-HNNXBMFYSA-N 335.496 1.714 0 40 EDAB O=C(NC1CCSCC1)[C@H]1COCC(=O)N1Cc1ccccc1 89834799 BVWXWXZAZZWILG-OAHLLOKOSA-N 334.441 1.426 0 40 EDAB Cc1cc(NC(=O)CCN2CCC(N3CCN(C)C3=O)CC2)no1 75604040 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0 40 EDAB COCc1c(C(=O)N2CCN(CCO)CC2)sc2ccccc12 78783434 XLGMLELFICITRU-UHFFFAOYSA-N 334.441 1.798 0 40 EDAB Cc1nc(C)c(CNC(=O)Cc2c(C)[nH]c3ccnn3c2=O)s1 89499669 PLLQEEWKRFIEMF-UHFFFAOYSA-N 331.401 1.263 0 40 EDAB COCCOc1ccc(CNCc2cnc3[nH]nc(C)c3c2)cn1 89568207 TYCQUPBFZXZNDO-UHFFFAOYSA-N 327.388 1.976 0 40 EDAB COc1cc(CNC(=O)Cn2cc(C)cn2)ccc1OCCN(C)C 75126524 STDFPPJFXLBQHI-UHFFFAOYSA-N 346.431 1.457 0 40 EDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccn2)cc1 20245647 KMCWYSXGEURCAG-UHFFFAOYSA-N 348.428 1.254 0 40 EDAB CCn1ccnc(N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)c1=O 1548520741 BRVWOJXEIDMTQV-GFCCVEGCSA-N 330.392 1.148 0 40 EDAB CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2cnnc2)cc1 1556191878 UVARZJUVPCVTOA-QGZVFWFLSA-N 349.394 1.354 0 40 EDAB CCCOC(=O)[C@@H]1CCCN1C1(CNC(=O)OC(C)(C)C)COC1 306145297 ATZUKWQDHPVFLW-ZDUSSCGKSA-N 342.436 1.698 0 40 EDAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(F)cc2)cc1 408555329 WNDZJEKNSCHLMA-UHFFFAOYSA-N 345.330 1.528 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1 408619004 HMDIDMCEKIWKML-UHFFFAOYSA-N 340.445 1.718 0 40 EDAB CS(=O)(=O)N1CCC(c2cncc(NCc3ccccn3)n2)CC1 72365788 AUPSEZJPGZJLFI-UHFFFAOYSA-N 347.444 1.623 0 40 EDAB CCOc1cc(S(=O)(=O)Nc2nnc[nH]2)c(OCC)cc1C 72414453 UYPJWEGWMUXTMY-UHFFFAOYSA-N 326.378 1.711 0 40 EDAB Cn1ccnc1-c1cccc(NC(=O)N[C@H]2CCc3ncnn3C2)c1 120096800 VZSAKUJZGCRHLA-AWEZNQCLSA-N 337.387 1.815 0 40 EDAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@@H](Oc2cnsn2)C1 675007998 LCPFXKKXLCLWQS-BUUCAEBMSA-N 337.426 1.992 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1CCc1cnc(Br)cn1 72363366 DVJAMCACVJLRIS-SNVBAGLBSA-N 334.239 1.596 0 40 EDAB CNc1ncccc1C(=O)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 72153811 HPMXFHBGLSNJEQ-AWEZNQCLSA-N 342.374 1.793 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)N(C)N(C)c2ncccc21 72335319 MHEXFSXXQXBDND-QWHCGFSZSA-N 331.420 2.000 0 40 EDAB Cc1conc1NC(=O)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C 189084038 JBELUMGBPDJIQO-GFCCVEGCSA-N 331.376 1.636 0 40 EDAB COC[C@H](NS(=O)(=O)c1ccc(C(=O)O)nc1)c1ccc(C)o1 566178179 WOFORWCHLUDBLL-LBPRGKRZSA-N 340.357 1.347 0 40 EDAB O=C(NCc1cccnc1N1CCOCC1)[C@H]1CCc2[nH]cnc2C1 225512124 BWXSKJJXQDAFGH-ZDUSSCGKSA-N 341.415 1.063 0 40 EDAB Cc1cc(=NC(=O)N=c2ccc(-c3cnn(C)c3)n[nH]2)[nH]n1C(C)C 521856549 SQCPWXUCVCZCNS-UHFFFAOYSA-N 340.391 1.451 0 40 EDAB Cn1cncc1-c1nnc([C@H]2CCN(Cc3ccc(CO)o3)C2)o1 49170464 VQRJVOCXKSJNJP-NSHDSACASA-N 329.360 1.545 0 40 EDAB biogenic,in-vitro Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)CCOCC(F)F 190308626 UEVDHGVQJKGGQG-OAHLLOKOSA-N 344.333 1.805 0 40 EDAB Cc1nc(NS(C)(=O)=O)sc1C(=O)NCCCOC(C)C 225878727 USKXSXPYHXIXSZ-UHFFFAOYSA-N 335.451 1.368 0 40 EDAB CNC(=O)c1ccc(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)nn1 225600534 LPJNYXRZZWQQJB-CZUORRHYSA-N 347.369 1.972 0 40 EDAB C[C@@H](O)Cn1cnc2c(I)cc(F)cc2c1=O 574039317 HATYCGRVWACPIE-ZCFIWIBFSA-N 348.115 1.521 0 40 EDAB C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1cscn1 225790763 OGRJTFUBRYXPBP-LLVKDONJSA-N 339.442 1.630 0 40 EDAB Nc1cc(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)ccn1 193307113 KTUNPGKFGWUBEQ-UHFFFAOYSA-N 344.390 1.526 0 40 EDAB COc1ccc(CC(=O)NCc2nn(C)c3c2COCC3)cc1OC 96104004 PVHBKKDIZZJBJA-UHFFFAOYSA-N 345.399 1.369 0 40 EDAB Cc1c(C(=O)O)c(NCCN2CCCOCC2)nc2ccccc12 575871604 IPLFSGKYAPNOPL-UHFFFAOYSA-N 329.400 2.376 0 40 EDAB CC(=O)NCCNC(=O)c1c(C)cccc1I 96475985 HHEISLNGFVPYEH-UHFFFAOYSA-N 346.168 1.466 0 40 EDAB COC[C@@H]1CC2(CCN(S(=O)(=O)N(C)C)CC2)CN1C(C)C 96207620 BIHQQYNDTYTDCV-AWEZNQCLSA-N 333.498 1.004 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cn1ccc(=O)c3ccccc31)C2 97198742 RAYUWPMUAMCXHI-CQSZACIVSA-N 336.395 1.638 0 40 EDAB Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](COCC3CC3)C2)no1 96189117 PWTAALQCRUNTLC-AWEZNQCLSA-N 330.388 1.878 0 40 EDAB Cc1cccc(CN2CCOC[C@@]3(C2)CN(CC2CC2)C(=O)CO3)n1 96241211 XGVALRHTXAACMI-LJQANCHMSA-N 345.443 1.230 0 40 EDAB Cc1cc(CN(C)C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)no1 96403786 WZLYSIDEKJOKRW-LBPRGKRZSA-N 325.434 1.889 0 40 EDAB O=C(c1cnccn1)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048380 XSYOQWOFGMXISP-CXAGYDPISA-N 340.387 1.142 0 40 EDAB O=C([C@@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@H]2O1)N1CCCCO1 96043114 QBDRUBJRIBAXCU-YESZJQIVSA-N 331.416 1.615 0 40 EDAB Cc1cnc(CCN2CCN(c3ccc4nncn4n3)CC2)c(C)c1 577863961 WLLJKWZVITVKNL-UHFFFAOYSA-N 337.431 1.501 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)[C@H]1Cc3ccccc3C(=O)O1)CC2 97198577 NSGQRUVXQKJDKP-TZMCWYRMSA-N 340.383 1.053 0 40 EDAB COc1ccc(C(=O)CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc1 95478633 COIHCGBNZPSHEQ-CQSZACIVSA-N 332.400 1.499 0 40 EDAB CC(C)CN1CCN(C)C2(CCN(Cc3cnn(C)c3)CC2)C1=O 96050049 UOMQWYWEFWAFOY-UHFFFAOYSA-N 333.480 1.185 0 40 EDAB Cn1nccc1C(=O)NCC(=O)Nc1ccc(OC(F)(F)F)cc1 96192314 HSMWMWACCUGERW-UHFFFAOYSA-N 342.277 1.687 0 40 EDAB c1cnc(N[C@@H]2COC3(CCN(Cc4csnn4)CC3)C2)cn1 96074295 HXWJCUOYVLLBBO-LBPRGKRZSA-N 332.433 1.564 0 40 EDAB CCCS(=O)(=O)N1CCn2cc(CNc3ccccn3)nc2C1 96197526 NMGBSUHQQUNWPK-UHFFFAOYSA-N 335.433 1.446 0 40 EDAB C[C@H]1CN(C(=O)c2ccccc2OCc2nnnn2C)C[C@@H](C)O1 96192609 TVPIOFGVVZPLJO-TXEJJXNPSA-N 331.376 1.039 0 40 EDAB CC(C)C[C@H]1COCCN1C(=O)NC[C@@H](c1cnn(C)c1)N(C)C 96410722 DLMCNSAZAHISCB-HOTGVXAUSA-N 337.468 1.479 0 40 EDAB O=C([C@@H]1CN(Cc2ccsc2)Cc2ccnn2C1)N1CCOCC1 96188813 JPQVTEUTEOBQGM-OAHLLOKOSA-N 346.456 1.435 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1C[C@H]1c1ccccc1C 245289889 FXPCSNGAUUZJGD-HOTGVXAUSA-N 338.473 1.886 0 40 EDAB CN1CCN(C(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)CC1 248135071 OGUYOGIGFGLAEX-MKNHVETJSA-N 340.423 1.821 0 40 EDAB Cn1nccc1CN1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 248033881 MHIFMDSKMLWWQZ-ZFWWWQNUSA-N 335.411 1.719 0 40 EDAB CO[C@@H]1CN[C@H](C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)C1 583618065 ZKDJKJWNETYPFK-STQMWFEESA-N 332.322 1.921 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1CCO[C@H](c2nncn2C)C1 583623644 UUCHAQLUVHVJPQ-KBXIAJHMSA-N 335.452 1.272 0 40 EDAB COc1coc(C(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1=O 253395768 QWXODUNJXAWKIC-OCCSQVGLSA-N 332.400 1.737 0 40 EDAB NS(=O)(=O)CC1CCN(C(=O)NCCC[C@H]2CCCCO2)CC1 252492902 MWYSSXQYLXJLCG-CQSZACIVSA-N 347.481 1.046 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@H](Cc2ccncn2)C1 257238003 HJDUJQLNEBHVFE-AWEZNQCLSA-N 329.404 1.077 0 40 EDAB CC(=O)NC1CCN(C(=O)c2ccccc2-n2cc(CN)cn2)CC1 257313339 URYOPKOIFCYQRC-UHFFFAOYSA-N 341.415 1.072 0 40 EDAB Cc1cc2nc([C@H]3CCCCN3CC(=O)N3CCCC3)cc(O)n2n1 257263577 LQQCUOBALMURGT-OAHLLOKOSA-N 343.431 1.893 0 40 EDAB O=C(c1cscn1)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 257298716 RMZJXCGTUPSYRB-GFCCVEGCSA-N 343.412 1.517 0 40 EDAB Cc1c(S(=O)(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cnn1C 585142094 OUVGYADRMCCKAR-QLPKVWCKSA-N 346.456 1.137 0 40 EDAB O=C1CO[C@H]2CN(Cc3ncccc3F)C[C@@H]2N1c1ccccc1 257292100 QJZYVOQECPTTHA-IRXDYDNUSA-N 327.359 1.837 0 40 EDAB COc1ccc2cc(C(=O)NCCNC(=O)NC(C)C)cnc2c1 1615548777 PAOCYELBCNYJEM-UHFFFAOYSA-N 330.388 1.681 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)c2ccccc2C(F)(F)F)[C@@H]1O 585285127 ABCQGYSQAMMWMF-WQAKAFBOSA-N 333.306 1.458 0 40 EDAB CN1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)[C@H](CO)C1 585141561 CUAWHDKOJNVMQO-LBPRGKRZSA-N 346.258 1.930 0 40 EDAB CN1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)C3(F)CC3)C2)C1 585102834 JXTIZVYEQFMRLK-FUHWJXTLSA-N 347.434 1.881 0 40 EDAB CO[C@]1(COc2ccccc2)COCCN(C(=O)c2ccon2)C1 585269342 PTXMGOQIPBNZNI-KRWDZBQOSA-N 332.356 1.611 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2cc3cc(F)ccc3n2C)[C@@H]1O 585286974 PPLDKWKZCPGRDU-OAGGEKHMSA-N 336.363 1.164 0 40 EDAB O=C(CN1CCCC1)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585269030 IFDCJBUOKANSPX-SFHVURJKSA-N 336.407 1.054 0 40 EDAB C[C@@H]1COCCN1S(=O)(=O)c1ccccc1OC(F)(F)F 44914370 GQCFRQCETWOOET-SECBINFHSA-N 325.308 1.995 0 40 EDAB COc1cc(NC(=O)Cn2cnc3c(c2=O)CCCC3)cc(OC)c1 49404520 AGVNDBIWHCKOOD-UHFFFAOYSA-N 343.383 1.778 0 40 EDAB CN1CC(=O)N(CC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)C1=O 55999290 BOTRPTWBBTVFED-AWEZNQCLSA-N 333.363 1.253 0 40 EDAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CC(n2cccn2)C1 57822367 KMPNNUUEWAKXHM-CQSZACIVSA-N 328.397 1.770 0 40 EDAB COCCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)c1ccccc1 65427533 HZNZGOPFHYECOI-CYBMUJFWSA-N 341.415 1.866 0 40 EDAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3CC(N)=O)c2C)c1 95999876 UQNLBMQSUNEZFU-INIZCTEOSA-N 344.415 1.356 0 40 EDAB Cc1ccsc1S(=O)(=O)N1CC[C@@H](C(=O)O)C(F)(F)C1 514756233 WVPPQIXJOHYJLJ-QMMMGPOBSA-N 325.358 1.787 0 40 EDAB COc1nsc(CNC(=O)C2(C(=O)O)CCC2)c1Br 1604912556 XWFRVIWOYCAWAB-UHFFFAOYSA-N 349.206 1.785 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2sccc2C)NC(=S)N1 5786963 XYOHQESRXURRKI-GFCCVEGCSA-N 337.470 1.708 0 40 EDAB O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)o3)cc2)N1 5000821 HCZBDRZLXMISNZ-KPKJPENVSA-N 328.280 1.737 0 40 EDAB C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N1CCCCC1 5489492 TVOYCRFKUAHWAK-ZDUSSCGKSA-N 341.415 1.967 0 40 EDAB Cc1nn(C)cc1C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1 12158535 COZXIDSEAXHGPN-CABCVRRESA-N 331.347 1.808 0 40 EDAB COc1ccccc1-c1cc(C(=O)NC[C@H](C)n2cncn2)no1 12201493 BUXFLFQQNOXQJO-NSHDSACASA-N 327.344 1.933 0 40 EDAB O=C(Cc1cc(-c2ccccc2)on1)NCCCN1CCOCC1 12422110 VCBXVSOVHXKICQ-UHFFFAOYSA-N 329.400 1.723 0 40 EDAB CNc1snc(C)c1C(=O)OCc1nnnn1-c1ccccc1 16554357 XRDHUFOBIDRBED-UHFFFAOYSA-N 330.373 1.826 0 40 EDAB Cc1ccc(C)c(N2C(=O)C[C@H](N3CCC(C(=O)O)CC3)C2=O)c1 18063863 CIOWTAGRJCZIGQ-HNNXBMFYSA-N 330.384 1.732 0 40 EDAB Cc1cc(C)c(C)c(OCCCNC(=O)c2ccc(=O)n(C)n2)c1 19566927 OQXVMGFNHHLLDI-UHFFFAOYSA-N 329.400 1.904 0 40 EDAB COc1ccc2oc(=O)c(C(=O)OCCN3CCOCC3)cc2c1 19618905 ZRFRHKFTJJHLTK-UHFFFAOYSA-N 333.340 1.291 0 40 EDAB Cc1cc(=N)[nH]c([C@]2(C)CCCN2S(=O)(=O)c2ccccc2)n1 607855347 NDNHRIPOWUIQEM-INIZCTEOSA-N 332.429 1.897 0 40 EDAB COc1ccc(CN(C)[C@@H]2COC[C@@H](OC)[C@H]2OC)cc1CO 643585971 JTRZPJQPJLNWKP-OIISXLGYSA-N 325.405 1.048 0 40 EDAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2cc[nH]n2)C3)nc1 1888866766 IWQZWACLMHIPCJ-DYVFJYSZSA-N 327.388 1.829 0 40 EDAB Cc1noc([C@H]2C[C@@H](F)CN2C(=O)Cn2nnc3ccccc32)n1 1888890724 PQSUWWHLOPXHBE-ZWNOBZJWSA-N 330.323 1.434 0 40 EDAB CCN=c1cc(C)nc(N2CCN(c3ncnc(C)c3C)CC2)[nH]1 1889093042 NZGUYDISURHQCI-UHFFFAOYSA-N 327.436 1.372 0 40 EDAB COc1cccc(N2CCN(C(=O)CN(C)c3cnccn3)CC2)c1 30884129 YVRDUXJDKCCGKJ-UHFFFAOYSA-N 341.415 1.270 0 40 EDAB C[C@]1(NC(=O)c2ccc(C(F)(F)F)nc2O)CCS(=O)(=O)C1 32904883 LAQBAZKOCGXHDN-NSHDSACASA-N 338.307 1.113 0 40 EDAB COc1c(C)cccc1CN1CCO[C@]2(COCC(=O)N(C)C2)C1 2037983872 JMBIBYGGOITBIV-SFHVURJKSA-N 334.416 1.063 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccccn5)C[C@@H]4C3)n1)CCC2 2086964097 WGOBUZNLNMSEDW-GJZGRUSLSA-N 349.438 1.877 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565519981 YHBNXSRFQYEAFX-STQMWFEESA-N 342.399 1.599 0 40 EDAB O=C(COc1ccccc1)NCc1nnnn1-c1ccc(F)cc1 17190830 ADGBTQVTJQCAAV-UHFFFAOYSA-N 327.319 1.497 0 40 EDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2cnn(C)c2)CC1 2055745615 NZLFPITVJWILTP-UHFFFAOYSA-N 345.422 1.752 0 40 EDAB O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1c(F)cccc1F 217923981 CABOLPVCLRNGFM-CYBMUJFWSA-N 335.372 1.421 0 40 EDAB CCOc1ccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 43979730 PTKIUZOCKLQAFO-UHFFFAOYSA-N 340.445 1.487 0 40 EDAB N#Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ncc(F)cn3)C2)cc1 390829111 WSPQHGJWLDQKKZ-ZDUSSCGKSA-N 348.359 1.329 0 40 EDAB COc1cccc2cc(C(N)=O)/c(=N/c3ccc(C(N)=O)cc3)oc12 4509547 ZTDUECBTLMJGFF-UZYVYHOESA-N 337.335 1.872 0 40 EDAB COc1cccc(CCNC(=O)c2c(O)nc3sccn3c2=O)c1 16690017 YQNLWFKNPRBJKB-UHFFFAOYSA-N 345.380 1.443 0 40 EDAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCNC(=O)C2)s1 23178074 KQOKAXCFBKWIJY-UHFFFAOYSA-N 333.388 1.759 0 40 EDAB Cn1cccc1-c1noc(CNC(=O)c2cc(=O)[nH]c3ccccc23)n1 225764735 CCBIDIRLGPEFHW-UHFFFAOYSA-N 349.350 1.847 0 40 EDAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)CN3CCOCC3)n[nH]2)s1 40107627 VYGVEOCBVIRFPV-NSHDSACASA-N 334.445 1.897 0 40 EDAB CC(C)(C)C(=O)NCC(=O)N1CCC(C(=O)Nc2ccncc2)CC1 31372823 DAJXHKRWSIWULB-UHFFFAOYSA-N 346.431 1.421 0 40 EDAB Cc1cc(C)cc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 11424769 PBUVEBKDURESGK-UHFFFAOYSA-N 325.372 1.776 0 40 EDAB CNC(=O)C1(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)CC1 68516008 JNPVAMYUFDZLND-UHFFFAOYSA-N 343.427 1.242 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1cnn(-c2ccccc2)c1 11547192 BUCBDCVIYGZPCY-UHFFFAOYSA-N 332.367 1.888 0 40 EDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccccc2O)CC1 7814400 IYYPQPNTAFMNHS-GFCCVEGCSA-N 349.383 1.739 0 40 EDAB CC(C)c1nnc(NC(=O)CSc2nc(N)cc(=O)[nH]2)s1 18240392 RXPIRKGQUZEKTE-UHFFFAOYSA-N 326.407 1.058 0 40 EDAB CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 982962 RCPFULZMBWSKEP-UHFFFAOYSA-N 336.388 1.763 0 40 EDAB Cc1ccc2cc(C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)[nH]c2c1 40515935 VTHIKJLLTPXKKZ-ZDUSSCGKSA-N 349.456 1.878 0 40 EDAB COc1ccc(CCNC(=O)CSc2nnc(N)n2C2CC2)cc1 31853850 FZXNYBSCFAQJLJ-UHFFFAOYSA-N 347.444 1.655 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 45935764 HOGZKMZJBZLJNJ-SNVBAGLBSA-N 346.309 1.040 0 40 EDAB CCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6288598 COAYHPIKPDXWNG-ZDUSSCGKSA-N 340.445 1.626 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NC[C@H](C)c2ccccc2)n(C)c1 29687220 LMBUREQKZNERDZ-LBPRGKRZSA-N 335.429 1.467 0 40 EDAB CC(C)N1C[C@@H](C(=O)Nc2cccc(NS(C)(=O)=O)c2)CC1=O 32354287 KCXQHIRBOUYWCO-NSHDSACASA-N 339.417 1.254 0 40 EDAB O=C1NC(=O)[C@@H](CCC(=O)OCc2c(Cl)ccc3cccnc23)N1 46238407 LSILZBFLLPECIA-GFCCVEGCSA-N 347.758 1.920 0 40 EDAB Cn1cccc1C(=O)NC(=O)COC(=O)CCCOc1ccccc1 7736157 WCWKYFIJFWOIOT-UHFFFAOYSA-N 344.367 1.684 0 40 EDAB CCNC(=O)NC(=O)CSc1nnnn1-c1ccc(C)c(C)c1 7857033 ZMXICLJGEDXYFX-UHFFFAOYSA-N 334.405 1.217 0 40 EDAB C[C@@H](Sc1nnc(CN2CCCCC2)o1)C(=O)N1CCNC1=O 32776043 QRLNWBNALMFWPV-SNVBAGLBSA-N 339.421 1.088 0 40 EDAB CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 32780725 WSTFHLHFNHRYPM-HNNXBMFYSA-N 333.413 1.191 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCO2)N1CCO[C@H]2CCCC[C@@H]21 41195020 SRJCDNAGVNYRJM-STQMWFEESA-N 325.386 1.747 0 40 EDAB CC(C)N(C)C[C@@H]1CO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 107243858 SUVNAWMOZBYGCA-CRAIPNDOSA-N 348.447 1.065 0 40 EDAB Cc1ccn(CCC(=O)N[C@@H](C)c2cc(O)n3nc(C)cc3n2)n1 100217825 CDEONMYTAUDDNP-LBPRGKRZSA-N 328.376 1.516 0 40 EDAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC(C(N)=O)CC1 2659000 DTOYJIUVQYBATB-UHFFFAOYSA-N 339.823 1.793 0 40 EDAB CCOc1cc2c(cc1CNc1ccc3nnnn3n1)O[C@H](C)C2 32871860 ATIFJYNKTHXVPY-SNVBAGLBSA-N 326.360 1.854 0 40 EDAB COc1cccc(CNC(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102415756 HNMVWJALGGMJOF-WQVCFCJDSA-N 344.411 1.875 0 40 EDAB CC(C)(C)c1ccc(CCNC(=O)NCCS(C)(=O)=O)cc1 41340083 IDYBCOOJNLMPMP-UHFFFAOYSA-N 326.462 1.870 0 40 EDAB Cn1nc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1=O 52916425 KQWYWVPWDLHHIK-AWEZNQCLSA-N 341.367 1.529 0 40 EDAB NC(=O)[C@H]1CCN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 52961160 HXXJOMJPYOQUAT-NSHDSACASA-N 345.321 1.009 0 40 EDAB CN(CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(Cl)cn1 41690951 UISISEVKSOCPAP-UHFFFAOYSA-N 346.822 1.310 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCN(c2ncccn2)CC1 46831469 CNBFYUUGAHXBAO-JKSUJKDBSA-N 347.463 1.904 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 47101286 HQVATAGJQYWHFO-LSDHHAIUSA-N 333.436 1.513 0 40 EDAB CCc1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 23390900 WRFKJFCAZBVFJS-UHFFFAOYSA-N 340.426 1.697 0 40 EDAB CCN(C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C)c1cccc(OC)c1 42871127 NVTGVNYZUSZMCN-TZMCWYRMSA-N 340.445 1.975 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)NCc2ccccc2F)C1 58014512 OHIKIRFLSSRDNT-LBPRGKRZSA-N 329.397 1.049 0 40 EDAB CCOC(=O)COc1nc(C)nc(C)c1I 1392901 VWHMKRKISHRSQW-UHFFFAOYSA-N 336.129 1.640 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccccc1C(C)C 25021126 FNBNKYREZINZRQ-AWEZNQCLSA-N 348.399 1.079 0 40 EDAB COCc1ccccc1CNC(=O)c1ccccc1OCC(N)=O 25307699 KWXAGIIIQHHNMZ-UHFFFAOYSA-N 328.368 1.627 0 40 EDAB C[C@H]1CN(CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@H](C)O1 25411815 LSAOGPRRMRNIQF-GJZGRUSLSA-N 328.416 1.598 0 40 EDAB O=C(CNC(=O)c1sccc1NC(=O)c1ccncc1)NC1CC1 56183979 JHKQIAMMGLPYED-UHFFFAOYSA-N 344.396 1.404 0 40 EDAB Cc1c(C(=O)NC[C@H]2CCS(=O)(=O)C2)cnn1-c1ccccc1 44457124 MTOXOZNRGBASPX-CYBMUJFWSA-N 333.413 1.345 0 40 EDAB CNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 22274703 VECGNFZKBJFLOX-UHFFFAOYSA-N 348.424 1.945 0 40 EDAB COC(=O)C[C@@H](NC(=O)CCSCC(N)=O)c1cccs1 23098363 QBAAEUDIZYVOSO-SECBINFHSA-N 330.431 1.077 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)CCc2cccnc2)c1 27303022 UPPJURFCUWZPGU-UHFFFAOYSA-N 333.413 1.239 0 40 EDAB O=C1CC2(CCCC2)C(=O)N1C[C@H](O)CN1CCc2ccccc2C1 58137733 FIXYFJLXLITAOQ-QGZVFWFLSA-N 342.439 1.725 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(F)cc1F 12606724 KLYLSGMTXKTWNV-UHFFFAOYSA-N 345.305 1.997 0 40 EDAB CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 2191129 MNOBZMFLHLHJPO-JTQLQIEISA-N 328.390 1.265 0 40 EDAB CC(C)(C(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccccc1 58268317 PLROORDDOANDNO-FUHWJXTLSA-N 346.471 1.818 0 40 EDAB NC(=O)C1CCN(C(=O)[C@H](c2ccccc2)N2CCSCC2)CC1 58282155 UOUOEHFAOHYOAR-INIZCTEOSA-N 347.484 1.500 0 40 EDAB CC(C)NC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 69955924 FNAASAYIXCYAEU-UHFFFAOYSA-N 331.360 1.256 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)CN2CCSC2=O)c1 44918843 KITDJMWKUDRJEE-LBPRGKRZSA-N 340.401 1.022 0 40 EDAB NC(=O)CN1CCC(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 45056957 GKNGZVCGKQOPRY-WDEREUQCSA-N 335.370 1.421 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)NOCc2ccccc2)cc1 8096773 QQNPVJAYEZPGLU-UHFFFAOYSA-N 334.397 1.799 0 40 EDAB O=C(Nc1nnc2ccccn12)C1CCN(CC(F)(F)F)CC1 48262648 WCBSHRBMHVYTLY-UHFFFAOYSA-N 327.310 1.942 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)CN1C(=O)CSc2ccccc21 48234673 OWBTUJFQETUIMX-CYBMUJFWSA-N 333.457 1.726 0 40 EDAB C[C@H](CNC(=O)N1CCC(CO)CC1)N1CCc2sccc2C1 48253413 SZFCXWOUZRHQFU-CYBMUJFWSA-N 337.489 1.909 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)CN1C(=O)[C@H](C)Oc2ccccc21 48263508 BOOROFGSYOKECZ-KBPBESRZSA-N 332.400 1.686 0 40 EDAB O=C(CN1C(=O)CSc2ccccc21)NC1CCN(C2CC2)CC1 48251916 UMYANMCDKXZQFM-UHFFFAOYSA-N 345.468 1.868 0 40 EDAB NC(=O)COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 3490152 DPQOJRPVLCRYQT-HNNXBMFYSA-N 326.352 1.576 0 40 EDAB CCOc1cc2c(cc1NC(=O)C1=NN(C)C(=O)CC1)O[C@@H](C)C2 12924341 VYFDOHBAGFLJDV-JTQLQIEISA-N 331.372 1.955 0 40 EDAB C[C@@H]1CN(S(=O)(=O)CCNCc2ccc(F)c(F)c2)C[C@@H](C)O1 48783354 MDPVYGOXVZSKMJ-VXGBXAGGSA-N 348.415 1.493 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCO2 64317417 LQMZPFQYOUQYQT-HNNXBMFYSA-N 344.392 1.227 0 40 EDAB CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 64467644 YMJFRXVQZKLNLI-UHFFFAOYSA-N 340.426 1.704 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)Nc3ccc(Cl)cn3)CCO2)c1 69445578 DVKAVSKWWWXZJO-AWEZNQCLSA-N 349.822 1.579 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)C3(S(C)(=O)=O)CCCC3)C2)c1 69417960 QHQACYCTMLOBIU-AWEZNQCLSA-N 339.461 1.712 0 40 EDAB CCc1noc([C@@H](C)N2CCN(CC(=O)Nc3cc(C)no3)CC2)n1 69421217 SDOAXHQATRVHQV-GFCCVEGCSA-N 348.407 1.246 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1ccn(-c2ccccc2)n1 65413945 OAMFCEQBNBDMIF-UHFFFAOYSA-N 330.369 1.298 0 40 EDAB CCO[C@H](C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 65591285 LZBJLCYCTCCESR-LLVKDONJSA-N 342.237 1.918 0 40 EDAB Cn1nnnc1N1CCC(NC(=O)[C@H]2Cc3ccccc3S2)CC1 65514083 HIYFVNLCOMVSFO-CQSZACIVSA-N 344.444 1.012 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCCC[C@@H]1Cn1cncn1 69630979 FTJGQRZSLKDGOU-HUUCEWRRSA-N 345.451 1.937 0 40 EDAB O=C(c1cc[nH]n1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 69659920 WPVBGHHASQPOHX-UHFFFAOYSA-N 326.282 1.181 0 40 EDAB Cc1ccc(NC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 14119950 KICFVNHRXFUVQN-HNNXBMFYSA-N 337.445 1.332 0 40 EDAB Cc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N1CCc3ccccc31)CC2 69661241 XMJRQQGTFRZABQ-SWLSCSKDSA-N 325.416 1.469 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](C)CN2CCCC2=O)c1 65612896 TWQMYNAJWNYLIJ-OCCSQVGLSA-N 332.400 1.784 0 40 EDAB Cc1cccc(NC(=O)C(=O)NCCC(=O)NCc2ccncc2)c1 65613825 BWKIHNFYVJLKCT-UHFFFAOYSA-N 340.383 1.151 0 40 EDAB NC(=O)c1cccc(OCC(=O)NCC[S@@](=O)c2ccccc2)c1 69617680 QJHNXXAOBVQILA-DEOSSOPVSA-N 346.408 1.088 0 40 EDAB Cn1ncc2c(NCCCN3C(=O)NC4(CCCC4)C3=O)ncnc21 14219751 GTQSTMCIBAQENH-UHFFFAOYSA-N 343.391 1.030 0 40 EDAB C[C@H](C(=O)N1CCCCCC1)N1C(=O)N[C@@H](Cc2ccccc2)C1=O 14246983 OPDDAKRYPWRBAH-ZBFHGGJFSA-N 343.427 1.941 0 40 EDAB CCn1cc(CN2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cn1 91920310 AVIXXDOQTKAJJS-GJZGRUSLSA-N 334.464 1.751 0 40 EDAB C[C@@H](c1cccc(F)c1)N1CCN(CCCS(C)(=O)=O)CC1 91980961 KHCAINGDSXVFLE-AWEZNQCLSA-N 328.453 1.939 0 40 EDAB CCOc1c(Cl)cc(C(=O)N[C@@](C)(COC)C(N)=O)cc1OC 69814387 SFWCDYLZKIKSLB-HNNXBMFYSA-N 344.795 1.368 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N(C)CC2CCN(C[C@@H](C)O)CC2)on1 69897162 DCTCNAJYDLOMPG-ZIAGYGMSSA-N 338.452 1.335 0 40 EDAB COc1ccc(OC[C@H](O)CN2CCC[C@H](Cn3cncn3)C2)cc1 69849450 GCRXDCQWAJNRQE-JKSUJKDBSA-N 346.431 1.439 0 40 EDAB O[C@H](CN1CCOCC1)CN1CCC[C@@H]1c1cccc2c1OCCO2 67231153 GGYDEHJUEXRVHZ-NVXWUHKLSA-N 348.443 1.288 0 40 EDAB COC(=O)c1cccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 8778139 NSHWDGLPXCDZOJ-WBMJQRKESA-N 334.397 1.866 0 40 EDAB COc1ccc(CN2CC[C@H](CNC(=O)c3ccc[nH]3)C2)cc1O 67741168 SKDMZUDULLLTDD-CQSZACIVSA-N 329.400 1.981 0 40 EDAB COCc1nccc([C@@H]2CCCN(c3ncnc4c3cnn4C)C2)n1 89745565 HZZLQPKGGAQKAC-GFCCVEGCSA-N 339.403 1.684 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc(CS(N)(=O)=O)cc2)cn1 71799267 WAJWZLBOBWVNTQ-HNNXBMFYSA-N 348.428 1.186 0 40 EDAB C[C@@H](C(=O)NC1CC1)[S@@](=O)Cc1ccn(-c2ccc(F)cc2)n1 96448142 CETZZSHVZQRLPJ-BSNNYGBQSA-N 335.404 1.927 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1 9537215 OVJQQKVQQJERSM-ZDUSSCGKSA-N 340.401 1.016 0 40 EDAB CCCn1c(SCCn2cc(Br)cn2)n[nH]c1=O 71893907 GBLQIQMCZVRBFF-UHFFFAOYSA-N 332.227 1.733 0 40 EDAB CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1Cn1nc(C)cc1C 71870251 DLIOPTVKIDGVFI-GJZGRUSLSA-N 336.461 1.412 0 40 EDAB Cc1cnn(CCN[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 71872075 SRVBDULSOKSMHV-CYBMUJFWSA-N 330.388 1.215 0 40 EDAB C[C@@H](CNC(=O)CCOc1ccccc1Cl)N1CCN(C)CC1 71867409 TYHNSKOLEYGAIJ-AWEZNQCLSA-N 339.867 1.861 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)CCNC(=O)Cc1ccccc1)C(=O)OC 71892843 LHORXEAJCVCZMU-SUMWQHHRSA-N 334.416 1.439 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2cccs2)[C@H]1c1ccccc1 72237871 KREUOBQILBFKSK-HZPDHXFCSA-N 330.409 1.963 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1cnn(-c3ccccc3)n1)C2 72279544 SZZICOCDHWHZKT-UHFFFAOYSA-N 349.398 1.688 0 40 EDAB Cc1cccc(NC2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)n1 72293947 NZNIEBHTPZZKHE-UHFFFAOYSA-N 342.451 1.300 0 40 EDAB Cn1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c2ccccc21 72269384 RXPSPZNZQLZABW-QZTJIDSGSA-N 327.428 1.850 0 40 EDAB CN(CC(=O)N1CCC[C@@H](n2cncn2)C1)c1ccc(Cl)cn1 72234922 PZHSOUKVCQMZHU-CYBMUJFWSA-N 334.811 1.626 0 40 EDAB COC(=O)C1(N(C)C(=O)[C@H](C)OC[C@@H]2CCCCO2)CCCC1 97020104 ASUPOXHYEDVVNC-KBPBESRZSA-N 327.421 1.905 0 40 EDAB Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1ncnn1CC(C)C 97135343 RJKMIVLBXCJVBZ-QGZVFWFLSA-N 327.432 1.916 0 40 EDAB CCC[C@H](NC(=O)c1cncc(Br)c1)c1nnn[nH]1 84740425 WXKJNPGUQDMRCG-VIFPVBQESA-N 325.170 1.628 0 40 EDAB NC(=O)c1cncc(N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1 95408578 WNRQGXXXSHIJCL-UHFFFAOYSA-N 349.398 1.745 0 40 EDAB Cc1cc(Br)cnc1NC[C@@](C)(O)CN1CCOCC1 95429653 MIVAFUZJCVIDLQ-CQSZACIVSA-N 344.253 1.648 0 40 EDAB O=C(NCC1(c2ccccc2Cl)CC1)N1CCN2C(=O)NC[C@@H]2C1 95449912 ZKKMQEJBBWUWLO-GFCCVEGCSA-N 348.834 1.791 0 40 EDAB COCCN1CCCN(C(=O)[C@H](C)Oc2ccc(F)c(F)c2)CC1 79289742 UDXCUOLUZJCJRU-ZDUSSCGKSA-N 342.386 1.913 0 40 EDAB COCCOCCCC(=O)NCc1ccc(C(=O)O)c(OC)c1 95973485 GAGAJXAGNXTMHM-UHFFFAOYSA-N 325.361 1.453 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NC1(C(=O)O)CCCC1 95948858 YTRWCRMBEKQDOJ-UHFFFAOYSA-N 325.386 1.526 0 40 EDAB CCc1cc(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2[nH]1 95990432 DYMVDLAGPCLWFB-UHFFFAOYSA-N 332.385 1.625 0 40 EDAB O=C(N=c1[nH]cc[nH]1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 79478455 QOVPJAPVDXASQV-QMMMGPOBSA-N 346.782 1.006 0 40 EDAB CCN1CCCC[C@H]1CNC(=O)NCc1csc(N(C)C)n1 75092060 VZVBUCNICOKQSK-ZDUSSCGKSA-N 325.482 1.883 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N(C)Cc1ccoc1 75121897 RDSZHFAGEAPOKI-UHFFFAOYSA-N 338.367 1.934 0 40 EDAB C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 119396443 NYFNQZMCLCJGAF-YOEHRIQHSA-N 346.475 1.485 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(CSC)o1 22132157 KQKXQJOHTJGVPQ-UHFFFAOYSA-N 346.478 1.398 0 40 EDAB C[C@@H](C(=O)N1CCC(n2ccnn2)CC1)c1ccc2c(c1)OCO2 551894202 FCBYKSBCOOUROH-GFCCVEGCSA-N 328.372 1.974 0 40 EDAB O=C1CN(c2ccc(NC(=O)CCc3cccs3)cn2)CCN1 31718845 FXMWZRMZXUKGDV-UHFFFAOYSA-N 330.413 1.651 0 40 EDAB O=C(NC1CC1)C1CCN(CC(=O)N2CCCc3ccccc32)CC1 55915609 VGOMPNKCXUHVIW-UHFFFAOYSA-N 341.455 1.956 0 40 EDAB Cc1cccnc1CNC(=O)N1CCC(C(=O)N2CCOCC2)CC1 408084983 VRDFDHGPLLDYQV-UHFFFAOYSA-N 346.431 1.170 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 8889271 JVUNVJYPDYIPPN-QGZVFWFLSA-N 334.372 1.804 0 40 EDAB O=C(O)C1(CNS(=O)(=O)c2cccc(F)c2F)CCOCC1 548533269 FFALZZJOUWYPPL-UHFFFAOYSA-N 335.328 1.125 0 40 EDAB CN(C)CCNc1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 72365001 GGYZWEYJPWIBCW-CYBMUJFWSA-N 326.466 1.194 0 40 EDAB Cc1nc(NCc2ccccc2)cc([C@H]2CN(CCO)CCO2)n1 72387686 DFLJXFXPAWEQAU-QGZVFWFLSA-N 328.416 1.763 0 40 EDAB Nc1nccnc1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 30897090 PROQUCYJECSVJX-UHFFFAOYSA-N 329.379 1.546 0 40 EDAB Cc1cnc2c(c1)N(C(=O)c1c(C)oc3ncn(C)c(=O)c13)CCO2 127303882 ZMVZKXGSMIPJOC-UHFFFAOYSA-N 340.339 1.578 0 40 EDAB Cc1cc(NC(=O)C(=O)NCc2ccc(Br)o2)on1 35316315 WRAWLSCCKPKWFQ-UHFFFAOYSA-N 328.122 1.593 0 40 EDAB CCN(CC(=O)NC1CCOCC1)[C@@H]1CCN(c2ccccc2)C1=O 78923062 ZMFAWOWDCOWLNU-QGZVFWFLSA-N 345.443 1.409 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2cc(=O)[nH]c(-c3cnccn3)n2)C1 72397162 DEKITGLVCFZBCO-AGIUHOORSA-N 339.399 1.589 0 40 EDAB CCN(CC)c1nc(C)cc(C(=O)NCc2c(C)nn(C)c2C)n1 72240375 FAUOCBHNPYPHNI-UHFFFAOYSA-N 330.436 1.912 0 40 EDAB O=C(/C=C/c1cccnc1)N1CCCN(CC(=O)N2CCCC2)CC1 79050142 HPGUKRMNCDFCDU-VOTSOKGWSA-N 342.443 1.252 0 40 EDAB COC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(OC)c(Cl)c1 48991510 KEZUMFXWEKQMGB-UHFFFAOYSA-N 345.764 1.659 0 40 EDAB Cn1nccc1[C@@H]1OCC[C@H]1CN1CCNC(=O)c2ccccc21 573028938 OXAAPVJCOJFBOO-SUMWQHHRSA-N 326.400 1.748 0 40 EDAB Cn1ncc2c(N3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)ncnc21 337941378 FOEMYHGHIFYHER-HOTGVXAUSA-N 334.427 1.932 0 40 EDAB CSc1ncccc1C(=O)NCc1nc(-c2ccc[nH]c2=O)no1 225804530 WEQKMXXQAPMJQV-UHFFFAOYSA-N 343.368 1.472 0 40 EDAB Nc1[nH]c(=O)n(Cc2ccccc2)c(=O)c1NCCc1ccccc1 41105045 HUPMHHVVYVFSCR-UHFFFAOYSA-N 336.395 1.822 0 40 EDAB CCN1CN(C(=O)NCc2cc(F)cc(Br)c2)CC1=O 191897408 ZVKYHJFOSMKYKN-UHFFFAOYSA-N 344.184 1.919 0 40 EDAB O=C(N[C@@H]1CC[C@H]2CN(c3ncc(F)cn3)C[C@H]2C1)c1cnsn1 1068254086 OKKUQDLCRKYRBC-HOSYDEDBSA-N 348.407 1.502 0 40 EDAB CN(C(=O)Cn1ccnc1S(C)(=O)=O)[C@@H]1CCCc2ccccc21 81272448 PBUOWTUDIAEYFX-OAHLLOKOSA-N 347.440 1.823 0 40 EDAB Cc1ccc(C)c(NC(=O)CSc2n[nH]c3nc(=O)ccn23)c1 223811757 KDOLUBDPNLYQAK-UHFFFAOYSA-N 329.385 1.765 0 40 EDAB CCN1C[C@H](COCC2CC2)[C@]2(CCN(S(=O)(=O)C3CC3)C2)C1 96209759 KDULSJZOGANHPI-NVXWUHKLSA-N 342.505 1.549 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)C[C@H]1CCc2ccccc21 96406347 FWRPKKYUGQQGRI-OAHLLOKOSA-N 338.473 1.894 0 40 EDAB C[C@@H]1CS(=O)(=O)CCN1CCCc1nc(-c2ccccc2)no1 96424486 ZYXRHGSFHJRVHD-CYBMUJFWSA-N 335.429 1.788 0 40 EDAB O=C(N1CCCC1)[C@@]1(O)CCCN(Cc2nc3ccccc3o2)C1 576843731 HUKCDJVBPQFFSN-GOSISDBHSA-N 329.400 1.777 0 40 EDAB O=C(O)C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1 581439668 CXQPLEJMRMDSAE-RYUDHWBXSA-N 329.349 1.035 0 40 EDAB C[C@H](NCCC(=O)N1CCN(c2ncccn2)CC1)c1cccs1 96476928 IIWYVCGYOWKOLA-AWEZNQCLSA-N 345.472 1.928 0 40 EDAB Cc1cccc(CN2CCC3(CC2)CCN(CC(=O)N(C)C)C3=O)n1 96157803 MPZWDMNSSGCFNF-UHFFFAOYSA-N 344.459 1.293 0 40 EDAB CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc3c(c1)OCO3)CC2 97198686 BIPZJRXNUHAQRI-LBPRGKRZSA-N 328.372 1.875 0 40 EDAB O=C(N1CCN(c2cncc3ccccc23)CC1)[C@@]1(O)CCOC1 334133398 WGTMNWRENVSHPB-GOSISDBHSA-N 327.384 1.035 0 40 EDAB Cc1nc(CN2CCn3c(CNC(=O)C4CC4)cnc3C2)cs1 96201172 LDKMIXUWHVQWSL-UHFFFAOYSA-N 331.445 1.690 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](N(C)Cc1ccco1)CO2 96048034 XGFDWPKUGYMDLO-AWEZNQCLSA-N 342.461 1.685 0 40 EDAB O=C(CN1CCC(NC(=O)c2ccsc2)CC1)N=c1cc[nH]cc1 96403660 AFUVRYLWUHVHRX-UHFFFAOYSA-N 344.440 1.398 0 40 EDAB CCCS(=O)(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 96421267 ATYJTTIFVVAOKI-GDBMZVCRSA-N 326.462 1.605 0 40 EDAB CCc1nc(C)ncc1C(=O)N1CCN(C(=O)c2ccc(C)o2)CC1 96411219 BAWKZPPBVJPNPG-UHFFFAOYSA-N 342.399 1.847 0 40 EDAB Cc1cnc(N2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)nc1 96249713 HKENGHZILWNRBF-QZTJIDSGSA-N 339.443 1.907 0 40 EDAB Cn1cccc1C(=O)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96073891 UHDQAMSYIOSOHH-KBXCAEBGSA-N 341.415 1.691 0 40 EDAB Cc1cc(C)cc(-c2cc(NC(=O)[C@@]3(C)CCC(=O)NC3)n[nH]2)c1 580467703 FGQJYIVOMVDKGG-SFHVURJKSA-N 326.400 2.548 0 40 EDAB Cc1ccc(CN2Cc3nnn(C)c3[C@H](COCCN(C)C)C2)o1 96060664 QYZOYNUXRLBMRS-AWEZNQCLSA-N 333.436 1.394 0 40 EDAB O=C(c1ccsc1)N1CCOC[C@]2(CC[C@H](Cn3cncn3)O2)C1 96063448 RNACGDCGEBBXHG-ZBFHGGJFSA-N 348.428 1.430 0 40 EDAB Cc1nnc(CN(C)S(=O)(=O)Cc2ccc(F)c(Cl)c2)n1C 96484889 CFGYYVMQGDFVKY-UHFFFAOYSA-N 346.815 1.878 0 40 EDAB COCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 247891258 TUFJQCMCRDPHPX-QRDCCXFBSA-N 344.411 1.704 0 40 EDAB Cc1ccccc1C1(C(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)CC1 583619014 UPJYJSKGQDAMJR-GOSISDBHSA-N 326.400 1.655 0 40 EDAB CN1C[C@@H]2COCCN2C2(C1)CN(C(=O)Nc1ccc(F)cc1)C2 604381289 GRIZDADJWCGMRC-OAHLLOKOSA-N 334.395 1.058 0 40 EDAB biogenic,in-vitro Cc1nnccc1C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 584031241 NEDFZJQJHZNLIA-UHFFFAOYSA-N 339.355 1.872 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2ccc(F)c(F)c2)n1 257309478 UBBQSVJKSKKVOP-CYBMUJFWSA-N 343.355 1.759 0 40 EDAB Cc1cc(C[C@H]2COCCN(C(=O)c3n[nH]c4c3CCC4)C2)ncn1 257247461 IZCVXODYNVMDSR-CYBMUJFWSA-N 341.415 1.328 0 40 EDAB CCc1noc(C)c1C(=O)N1CCO[C@H](CCc2cc(O)ncn2)C1 257201325 AHENPCPBARMVPM-CYBMUJFWSA-N 346.387 1.515 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2cn(C)nc2C)n1 257266378 MCSNOKSLTVXHKZ-ZDUSSCGKSA-N 330.392 1.082 0 40 EDAB CCS(=O)(=O)N1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 257251891 JSSKCMSDTNNJFN-VNQPRFMTSA-N 340.445 1.680 0 40 EDAB C[C@H]1CN(Cc2c(I)cnn2C)C[C@H](C)O1 585136824 UHMOMURRGDVLKW-IUCAKERBSA-N 335.189 1.634 0 40 EDAB CCOc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 250638201 UUXBXDHBFNGMLF-IYVPYFHTSA-N 340.379 1.831 0 40 EDAB C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)c2cccc(Cl)c2O1 252478053 ABLMMIANXNBGKZ-VIFPVBQESA-N 332.809 1.345 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1nnc2n1CCCC2 41141230 ZCBWMXXKALAEIX-MEDUHNTESA-N 328.372 1.459 0 40 EDAB CNc1cnc(C[C@H]2CCCN(C(=O)Cn3ccnc3)CC2)cn1 257263145 LOPUIBSEEMBVJK-AWEZNQCLSA-N 328.420 1.586 0 40 EDAB CCCCS(=O)(=O)Nc1ccc(NC(=O)N2CC[C@H](O)C2)cc1 266373886 GTUOVOMPRGQCRR-AWEZNQCLSA-N 341.433 1.827 0 40 EDAB Cc1cc(C(=O)N[C@H](C(=O)O)[C@H]2CCCOC2)ccc1-n1cncn1 262777509 LWSOAPLPIAMNGU-ZFWWWQNUSA-N 344.371 1.185 0 40 EDAB O=C1[C@@H](Nc2nccc(CO)n2)CCN1c1ccc(Cl)cc1F 624608161 UBGRJPPISOACLE-LBPRGKRZSA-N 336.754 1.979 0 40 EDAB Cc1cnn(CCC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)c1 605550454 QCAOTICJNSPVMD-HNNXBMFYSA-N 328.420 1.465 0 40 EDAB CCN(CC)C(=O)CCC(=O)N[C@@H]1CCC[C@@H]1N1CCC(O)CC1 1615051569 HVBDAMNILHBPBT-CVEARBPZSA-N 339.480 1.129 0 40 EDAB O=C(NCc1cnccn1)N[C@H]1CCCN(Cc2ccccc2)C1 1615614968 LHBRKNFTDVWUNG-INIZCTEOSA-N 325.416 1.940 0 40 EDAB C[C@@H]1CCCN(c2cc(C(=O)NCc3nc(C(N)=O)co3)ccn2)C1 585113312 GFMOFXCOHFAQNW-LLVKDONJSA-N 343.387 1.335 0 40 EDAB O=C(c1ccc(O)nn1)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 585275786 FMKHKYSVJDJUEP-GJZGRUSLSA-N 331.347 1.530 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC(C(N)=O)CC1 67126218 LPNCCYFGRMVALM-CYBMUJFWSA-N 339.436 1.500 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC(=O)Nc3cccnc3)CC2)n1 69385257 NQEHDFCCABWNHM-LBPRGKRZSA-N 330.392 1.090 0 40 EDAB O=C(NCCNC(=O)C1CCCC1)c1cn(-c2ccc(F)cc2)nn1 69561008 QXDJAYYSACGQMK-UHFFFAOYSA-N 345.378 1.443 0 40 EDAB CCn1cc(NC(=O)C2CCN(CC(=O)NC3CCCC3)CC2)cn1 69517591 GFNSPTMRAUPABC-UHFFFAOYSA-N 347.463 1.612 0 40 EDAB Cc1ccccc1OC[C@]1(O)COCCN(C(=O)c2cncs2)C1 1615143489 NXGZBXOTYGYFMR-QGZVFWFLSA-N 348.424 1.734 0 40 EDAB Cc1cc2ccccc2n2c(=O)n(CC(=O)NCc3ccco3)nc12 12182052 BDHIVBHTOFXOFZ-UHFFFAOYSA-N 336.351 1.867 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc2c(c1)OCCO2 12414909 BYYOKEROVNHLCN-UHFFFAOYSA-N 341.367 1.532 0 40 EDAB CN1C[C@@H](C(=O)NC(C)(C)C)[C@@]2(COc3ccc(F)cc3C2=O)C1 19083087 CWGUZYFGEVZWQY-UGSOOPFHSA-N 334.391 1.864 0 40 EDAB O=C(NC1CCC2(CC1)CNC(=O)c1ccccc1O2)c1cc[nH]n1 19374838 ZOFNRZGZMWBAER-UHFFFAOYSA-N 340.383 1.643 0 40 EDAB O=C([C@@H]1CN(c2ncccn2)CCO1)N(Cc1ccccn1)C1CC1 19747274 OJYSZNBEZOGCJT-INIZCTEOSA-N 339.399 1.268 0 40 EDAB Cc1c(C(=O)N2CCN(C)CC2)nnc2c(-c3ccccc3)cnn12 19817074 FIOCMOVTJAYJMV-UHFFFAOYSA-N 336.399 1.487 0 40 EDAB COc1ccc(CNC(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)cc1 206961144 HHODNHZDXGKNSV-UHFFFAOYSA-N 344.367 1.930 0 40 EDAB Cc1nc2c([nH]1)CC[C@H](C(=O)N1CCN(Cc3ccccn3)CC1)C2 164059158 AULATDUPIGUBCW-HNNXBMFYSA-N 339.443 1.562 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)Cn2ccc3ccc(F)cc32)[C@@H]1O 643586190 GCUMBZBJFUGFBP-INMHGKMJSA-N 336.363 1.014 0 40 EDAB Cc1cnc(N2CCC(O)(CN)CC2)c(I)c1 591688937 LZGPTCSUMRZDGC-UHFFFAOYSA-N 347.200 1.285 0 40 EDAB Cc1ccc(CNC(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1 3497564 HZSAEEZFRANIEQ-KRWDZBQOSA-N 341.363 1.994 0 40 EDAB Cc1nnc(N2CC(NC(=O)[C@H]3CCc4ccccc4O3)C2)s1 1888850016 ONJWQCPAEGJBAY-CQSZACIVSA-N 330.413 1.545 0 40 EDAB O=C(Cn1cnc(C2CC2)cc1=O)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1888860543 XQBVTODQEAIIRX-GJZGRUSLSA-N 342.443 1.063 0 40 EDAB O=C(C1CC(F)(F)C1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888865579 ANUPBMOLQMIFAD-TXEJJXNPSA-N 348.357 1.064 0 40 EDAB Cc1cc(N2CCN(c3ncnc4n[nH]cc34)CC2)nc(C2CC2)n1 1888888496 FUSPFWNZIKFFSM-UHFFFAOYSA-N 336.403 1.655 0 40 EDAB Cc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)N(C)c1ccccc1 22381600 KUUXWTWTKBXAFY-LBPRGKRZSA-N 334.397 1.813 0 40 EDAB CC(C)[C@@H](Cn1nccn1)NC(=O)c1cc2ccccc2oc1=O 238955162 XUPVVJRYGDPDSJ-CQSZACIVSA-N 326.356 1.839 0 40 EDAB O=C1NC(=O)C2(CCN(Cc3ccc(Br)cc3)CC2)N1 263959868 HSPGNOSMIOXGBU-UHFFFAOYSA-N 338.205 1.623 0 40 EDAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)C1CC(F)(F)C1)CC2 1565555250 DAFOFIUGMBCEHS-UHFFFAOYSA-N 343.399 1.817 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 1565548670 HDFNOSRASXAMHV-GTLGIVGDSA-N 330.384 1.111 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)CC(=O)N2 9827330 ARXRBHZRCGBEIR-UHFFFAOYSA-N 335.319 1.416 0 40 EDAB Cn1nnc2c(SCC(=O)Nc3ccc(F)cc3F)ncnc21 13531776 ZUBLXAVHFUEUCD-UHFFFAOYSA-N 336.327 1.767 0 40 EDAB Cn1cnnc1SCCNC(=O)c1csc(-n2cccc2)n1 44448427 AMGRKJXZJUBNKM-UHFFFAOYSA-N 334.430 1.584 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCN(CC(F)(F)F)CC1 299336842 IXTWIDZKQISRDJ-UHFFFAOYSA-N 330.306 1.778 0 40 EDAB Oc1ccc(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)nn1 362430301 QNBOSCIJFXOHFB-UHFFFAOYSA-N 326.282 1.318 0 40 EDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1ccc2[nH]ccc2c1 71285309 RIELIRPLCZNPBD-UHFFFAOYSA-N 336.355 1.779 0 40 EDAB O=C(C[C@H](C(=O)O)[C@@H]1CCCO1)NCCc1ccc2c(c1)OCO2 2291006 LYCIEYFODKZDIE-STQMWFEESA-N 335.356 1.344 0 40 EDAB biogenic O=C(O)[C@H]1CN(C(=O)Cc2cccc(Br)c2)CCO1 50040153 AHYJQTYNTXOSKE-LLVKDONJSA-N 328.162 1.304 0 40 EDAB CN1CCc2nc(NC(=O)c3ccc(-n4cccn4)nc3)sc2C1 40050445 PFVCJQUTWDWFPJ-UHFFFAOYSA-N 340.412 1.964 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1 128302 QPTQEUGMLJRFFQ-UHFFFAOYSA-N 340.335 1.939 0 40 EDAB Cc1cc(C)c(CNC(=O)CCc2nc(C(C)(C)C)no2)c(=O)[nH]1 31221001 QPWDYYVDTFPEEW-UHFFFAOYSA-N 332.404 1.921 0 40 EDAB c1ccc(OCCN2CCN(Cc3nnnn3C3CC3)CC2)cc1 40494015 LDIJJLBLECUAKQ-UHFFFAOYSA-N 328.420 1.205 0 40 EDAB CC1CCN(S(=O)(=O)N(C)Cc2ccc3c(c2)OCO3)CC1 40494441 VJOQJWWXBQSFLX-UHFFFAOYSA-N 326.418 1.824 0 40 EDAB COc1ccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)c(OC)c1 40475593 YYBUSWMGNOZLJX-UHFFFAOYSA-N 345.399 1.958 0 40 EDAB O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCCN1 70862913 ICDRZPXRFWZJNB-YPMHNXCESA-N 338.249 1.896 0 40 EDAB C[C@@H](CNC(=O)CN1C(=O)CCOc2ccccc21)N1CCCC1 40522580 BAAPQFASKXKPMX-AWEZNQCLSA-N 331.416 1.403 0 40 EDAB O=C(Cc1c(F)cccc1Cl)NCCN1C(=O)CSC1=O 40554740 AQEBVRIHSKFAEN-UHFFFAOYSA-N 330.768 1.833 0 40 EDAB C[C@@H]1CCCN(C(=O)CS(=O)(=O)Cc2noc(C(C)(C)C)n2)C1 40528947 NSKULIJTRQQHJS-LLVKDONJSA-N 343.449 1.540 0 40 EDAB Nc1nc(N2CCN(Cc3ccccc3Cl)CC2)c2nc[nH]c2n1 31806836 OMFMXKYDOFZLLS-UHFFFAOYSA-N 343.822 1.911 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@H](C)c1nnc2ccccn12 31952552 LNJREFMDOMOMEL-MRVPVSSYSA-N 338.327 1.358 0 40 EDAB CN(C)CCOC(=O)C1CC2(C1)CC(C(=O)OCCN(C)C)C2 4705969 HRCLOAIQUFEBLK-UHFFFAOYSA-N 326.437 1.002 0 40 EDAB COc1ccc(S(=O)(=O)NCc2cccnc2N(C)C)cc1F 32438035 RLEOJCGOLWLURM-UHFFFAOYSA-N 339.392 1.774 0 40 EDAB Cc1ccc(-n2cc(C(=O)NCCCN3CCCC3=O)nn2)cc1 32481709 OHFGMRSPNLDCBM-UHFFFAOYSA-N 327.388 1.318 0 40 EDAB Cc1cccc(Cn2cnc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)n2)c1 6924245 VUUDZOQXRNXWAO-NMWPEEMBSA-N 338.367 1.302 0 40 EDAB Cc1ccc(-n2ncc(C(=O)N3CCC(C(N)=O)CC3)c2C)cc1 29567753 REHHEKRYMRXWFI-UHFFFAOYSA-N 326.400 1.827 0 40 EDAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccn2)cc1 8289937 PYMNPLIVRGOVBJ-UHFFFAOYSA-N 333.413 1.375 0 40 EDAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc(OC)c1 45750089 YOLKUNPIGITLJM-ZGRWHYIRSA-N 344.411 1.987 0 40 EDAB O=C(CCNC(=O)c1ccsc1)NC[C@H]1COc2ccccc2O1 32727292 BYAIYKBNOQFTIG-ZDUSSCGKSA-N 346.408 1.824 0 40 EDAB C[C@H](CNC(=O)NCCc1ccc(Cl)s1)N1CCOCC1 46259435 GONXDPXPHDUNAD-LLVKDONJSA-N 331.869 1.964 0 40 EDAB Cc1ccc([C@@H](CNC(=O)CNC(=O)c2ccoc2)N2CCCC2)o1 69537540 ZEKJYZVCMZFDQP-OAHLLOKOSA-N 345.399 1.864 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1 69514725 JGIIGZRISJAZMZ-UHFFFAOYSA-N 349.815 1.978 0 40 EDAB Cc1cccc(-n2nnnc2SCC(=O)NC[C@H]2CCCO2)c1 2616586 BODQQOJPCRAIHL-CYBMUJFWSA-N 333.417 1.358 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@H]3CCCN3C2=O)c1C 9477366 SBOYCOYXMZPZPL-LLVKDONJSA-N 347.371 1.418 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2)nc1C 33212295 YKQIMLFRNHSZTE-AWEZNQCLSA-N 327.388 1.316 0 40 EDAB CCCN1CCN(CC(=O)NCC(=O)Nc2cccc(C)c2C)CC1 22037277 XOLIARMYBFOMDI-UHFFFAOYSA-N 346.475 1.386 0 40 EDAB CNC(=O)[C@H](NC(=O)Cn1cc(-n2cccc2)cn1)c1ccccc1 83881784 FSNQDZYPNCJSGM-QGZVFWFLSA-N 337.383 1.277 0 40 EDAB CCc1nnc(CN2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)o1 83834275 QMGGNDBWKJQPTJ-ZDUSSCGKSA-N 345.451 1.344 0 40 EDAB Cc1occc1CN(C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103735541 XLWMUBXRKHDZDG-GVAFMPQTSA-N 328.368 1.354 0 40 EDAB C[C@@H]1CCN(C(=O)CN2CCN(CCO)CC2)c2ccccc2S1 22944729 RGZBKQDDPVBHDX-OAHLLOKOSA-N 349.500 1.514 0 40 EDAB CN(CC(=O)N(C)C1CCCCC1)C1=NS(=O)(=O)c2ccccc21 22977431 SMXOPFIVLMBUJT-UHFFFAOYSA-N 349.456 1.858 0 40 EDAB COCCN1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 54187866 XULHODSHOVSQIK-UHFFFAOYSA-N 345.896 1.624 0 40 EDAB O=C(C1CC1)N1CCC[C@H](C(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)C1 110617170 FTBSGHCCYDCLDL-WNRNVDISSA-N 345.487 1.578 0 40 EDAB O=C(CSc1ccccc1)Nc1cnn(CC(=O)NC2CC2)c1 57991007 LNECOJKJKYULEF-UHFFFAOYSA-N 330.413 1.893 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)NCC(=O)NCc1ccco1 24180752 JJLXAMWSBIZJHV-UHFFFAOYSA-N 339.355 1.215 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@@H]3CCN4CCCC[C@H]34)CC2)no1 47105234 OFDCQKQFNVLBBF-IAGOWNOFSA-N 347.463 1.437 0 40 EDAB CC[C@H](C(N)=O)N1CCN(Cc2nc(-c3ccccc3)co2)CC1 105868939 KDPMNCNSDZSLIS-MRXNPFEDSA-N 328.416 1.723 0 40 EDAB O=C(Nc1cccnc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24536879 WTVOZJJJYZCEHA-NSHDSACASA-N 325.324 1.802 0 40 EDAB Cc1ccc(Cn2c(OC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 12442713 SABDDRHRVKJBMC-UHFFFAOYSA-N 342.399 1.578 0 40 EDAB COC(=O)C[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)C(=O)OC 24829490 IUMDCOJQVOUFKE-DGCLKSJQSA-N 339.413 1.697 0 40 EDAB Cc1csc(=O)n1CCC(=O)Nc1ccccc1-n1cncn1 25002562 UUXFLIHLLAVBOG-UHFFFAOYSA-N 329.385 1.828 0 40 EDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCO[C@@H]2CCCC[C@H]21 106825384 MIHAMGAVUCVLNS-BZUAXINKSA-N 330.432 1.863 0 40 EDAB O=C([C@@H]1Cc2ccccc2S1)N1CCN([C@@H]2CCC[C@H]2O)CC1 106909603 FHNPCUKBDDYNLB-INMHGKMJSA-N 332.469 1.761 0 40 EDAB O=C(NCCNC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 57126566 IFMZGZOHGBOKFM-UHFFFAOYSA-N 329.444 1.541 0 40 EDAB COc1ccc(OC)c(NC(=O)[C@H](C)N2CCC(C(N)=O)CC2)c1 23991806 VWXPARZWJZUEFD-NSHDSACASA-N 335.404 1.228 0 40 EDAB COc1cccc(N2C[C@H](C(=O)N(C)Cc3cnn(C)c3)CC2=O)c1 44373526 DHPWWTAKKQVVFM-CQSZACIVSA-N 342.399 1.440 0 40 EDAB COc1cc(Cl)c(C)cc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1 57585403 SGTKWZZBIOQBCU-SNVBAGLBSA-N 346.836 1.372 0 40 EDAB CC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 44892592 ZCQZIFCVLAXJQZ-LBPRGKRZSA-N 333.388 1.393 0 40 EDAB C[C@H](CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)C1CC1 58281929 ITMNDIHOMHPISL-OAHLLOKOSA-N 329.444 1.888 0 40 EDAB Cc1csc(CNC(=O)NC[C@H]2CN(CC(C)C)CCO2)n1 44951658 MSXTUAXSAWXRRX-ZDUSSCGKSA-N 326.466 1.608 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 27801651 NUQDEKMVENZDAQ-CJNGLKHVSA-N 340.383 1.354 0 40 EDAB CC(C)(C)c1nc(CN2CCC(c3ccnn3CCO)CC2)no1 58304729 BFAUTNKZFAHJKP-UHFFFAOYSA-N 333.436 1.936 0 40 EDAB COCCN(C1CC1)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl 58304986 WAGRMUYRJWZITR-UHFFFAOYSA-N 347.820 1.926 0 40 EDAB COc1cccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 58401667 NXZSEMKJZSSMGO-MRXNPFEDSA-N 331.416 1.250 0 40 EDAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cn2ccnc2)c1C 10809913 ZUPZGFIBWWWOPE-UHFFFAOYSA-N 336.417 1.389 0 40 EDAB O=C(NCCCn1cncn1)NC[C@H](c1ccccc1)N1CCCC1 48278378 BNZNKMZGRXMBQJ-QGZVFWFLSA-N 342.447 1.805 0 40 EDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 48236128 PXSAHUDUNGDEQD-CQSZACIVSA-N 348.428 1.201 0 40 EDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H](Cc1ccccc1)n1cnnn1 12852961 GECLTBUVQQRQIV-OAHLLOKOSA-N 349.354 1.265 0 40 EDAB C/C=C/c1ccc(OCC(=O)NCCNC(=O)C(C)C)c(OC)c1 12817944 CUXDDPPSOFGGRB-AATRIKPKSA-N 334.416 1.996 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@H]2C=C[C@H](CO)C2)C1=O 81766700 BCKUBQMRBJPIFD-HZSPNIEDSA-N 330.384 1.244 0 40 EDAB Cc1ccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)c(O)c1C 62464377 GIPKWRAUZBHXOX-QWHCGFSZSA-N 348.399 1.278 0 40 EDAB COc1ccc(Br)c(C(=O)OCC(=O)NC2CC2)c1 3411989 KCGBKHHQZFHSOX-UHFFFAOYSA-N 328.162 1.893 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCCC[C@@H]1Cn1cncn1 69630982 FTJGQRZSLKDGOU-LSDHHAIUSA-N 345.451 1.937 0 40 EDAB O=C1CN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CCN1 13013870 VYNWQCWKWXRIOU-UHFFFAOYSA-N 339.399 1.120 0 40 EDAB C[C@@H](NC(N)=O)C(=O)NCC(C)(C)c1cccc(Br)c1 69380706 JGNIIUVCQVFSHQ-SECBINFHSA-N 342.237 1.900 0 40 EDAB O=C(CNC(=O)NCCCOc1ccc(F)cc1)NCc1ccco1 63799910 OQKPEXXJRIEOTG-UHFFFAOYSA-N 349.362 1.803 0 40 EDAB Cc1cnn(C[C@H](C)N[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 69742485 PPDGYSIVZRUHMG-QWRGUYRKSA-N 335.433 1.357 0 40 EDAB CNC(=O)NC(=O)CN(Cc1cccc(OC)c1)C1CCC(O)CC1 69704074 ZEUFOXJRNJOTQZ-UHFFFAOYSA-N 349.431 1.256 0 40 EDAB O=C(OCc1nc2ccsc2c(=O)[nH]1)[C@H]1COc2ccccc2O1 5173423 KRVYFMHQVWWBQH-GFCCVEGCSA-N 344.348 1.868 0 40 EDAB COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O 13838618 HKEQVXVLTOSXLQ-UHFFFAOYSA-N 332.264 1.997 0 40 EDAB biogenic COc1ccc(C)cc1-n1ccc(C(=O)NCCN2CCOCC2)n1 65528859 RCFVOJNFWNOVEZ-UHFFFAOYSA-N 344.415 1.251 0 40 EDAB O=C(Nc1ccccc1OC(F)(F)F)N1CCS(=O)(=O)CC1 65538749 YQADQHOCIGZTSX-UHFFFAOYSA-N 338.307 1.848 0 40 EDAB Cc1ccc(CNC(=O)CN2CCN(c3ncccn3)CC2)cc1 14140587 GKJIEINXZYBRLB-UHFFFAOYSA-N 325.416 1.223 0 40 EDAB NC(=O)c1cccc2c1CCCN2C(=O)[C@@H]1COc2ccccc2O1 65607465 QUBUYJWIOVLIBF-KRWDZBQOSA-N 338.363 1.905 0 40 EDAB O=C(Cn1cccn1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 65717832 KLQFJNIRUQEADE-UHFFFAOYSA-N 346.818 1.911 0 40 EDAB O=C(CCc1nc2ccccc2[nH]c1=O)N=c1[nH]c2ccccc2[nH]1 6579190 JOHCLMCUVUZGRX-UHFFFAOYSA-N 333.351 1.793 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCc1ccco1 17910008 MAGLWSHCYKXFBV-UHFFFAOYSA-N 336.413 1.811 0 40 EDAB COCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 5841304 RPQWVCUNXMGUCP-UHFFFAOYSA-N 342.417 1.455 0 40 EDAB Cc1ccc([C@H](CNC(=O)C[C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 67268565 INJHVXCONUJRJK-HOCLYGCPSA-N 338.473 1.539 0 40 EDAB COc1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cn1 7106275 OLDCQULJSICRKW-UHFFFAOYSA-N 349.412 1.803 0 40 EDAB CC(=O)NCc1nnc2n1CCN(c1ccnc3ccccc13)CC2 67473317 CKNRVHCXMGDHQF-UHFFFAOYSA-N 336.399 1.525 0 40 EDAB CCCn1nnnc1COC(=O)c1c(C)[nH]c(C(=O)OCC)c1C 7478530 NIASIUGYAWTBPH-UHFFFAOYSA-N 335.364 1.562 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1 8706588 SJTTXXXZORXYKE-UHFFFAOYSA-N 334.401 1.954 0 40 EDAB Cn1nc(C(=O)NCc2cn3ccccc3n2)c2ccccc2c1=O 7798774 ONUHDSVHUMGYNV-UHFFFAOYSA-N 333.351 1.511 0 40 EDAB COc1ccc(S(=O)(=O)Cc2nnnn2-c2ccccc2)cc1 9183822 OZWPHYQULQWGQU-UHFFFAOYSA-N 330.369 1.645 0 40 EDAB O=C(NC[C@@H]1COc2ccccc2O1)c1cnn(-c2ccccc2)n1 9313855 UQYGDTXDMDPDFX-CQSZACIVSA-N 336.351 1.837 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 408549673 WPTMFQPOGJAOET-NTEUORMPSA-N 343.314 1.682 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 71797037 SWRYWFQPCFDSTA-OAHLLOKOSA-N 348.428 1.306 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCC1(c2cccc(F)c2)CC1 96417819 VJCBYZYQICMESP-LBPRGKRZSA-N 342.436 1.932 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)NC(=O)NCc1cccs1 9500291 JWEUOGCKWUXUNE-UHFFFAOYSA-N 342.384 1.428 0 40 EDAB NC(=O)CN1CCC(NC(=O)Cc2ccc(-n3cccc3)cc2)CC1 71804962 FRPYZOQXNOIDQI-UHFFFAOYSA-N 340.427 1.086 0 40 EDAB C[C@H](C(=O)N1CCOCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 71892914 DGBSDQYMKHBLCJ-CQSZACIVSA-N 342.443 1.990 0 40 EDAB O=C(CN1CCC(NCc2cccc3c2OCO3)CC1)N1CCCC1 71837232 WFGWEUCIEHCFEQ-UHFFFAOYSA-N 345.443 1.592 0 40 EDAB COC(=O)N1CCC[C@H](C(=O)Nc2cc(-c3ccncc3)n[nH]2)C1 71856818 RIGVXBLBPRWGNA-LBPRGKRZSA-N 329.360 1.889 0 40 EDAB CCCN1CCCN(C(=O)Cn2cnc3c(C)cccc3c2=O)CC1 71853898 XRQZQYFQOYVIMO-UHFFFAOYSA-N 342.443 1.649 0 40 EDAB CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1ccnc(C2CC2)n1 71899768 KCDAMPQOPSGZKU-CYBMUJFWSA-N 334.445 1.738 0 40 EDAB Cc1cnn(CCNCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 72253070 YGMMWQAKFGZMJY-CQSZACIVSA-N 344.415 1.430 0 40 EDAB CC(C)OCC(=O)N1CCCc2ccc(S(=O)(=O)N(C)C)cc21 72291467 OVPOSYGABMKSQU-UHFFFAOYSA-N 340.445 1.641 0 40 EDAB Cn1ccc2c(C(=O)Nc3cccc4c(=O)[nH][nH]c(=O)c34)cccc21 72277544 OGQXSQKMLHDVPI-UHFFFAOYSA-N 334.335 1.960 0 40 EDAB CC[C@H](CC(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)c1ccc(C)cc1 72291705 MZSCVPHZUZZIGE-ACJLOTCBSA-N 329.400 1.689 0 40 EDAB C[C@@H](C(=O)NCCNC(=O)c1ccco1)N(C)Cc1ccccc1 72288307 BHCRNJFRMHSUDO-AWEZNQCLSA-N 329.400 1.646 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)C1 97015716 DAJVZWDGCONGEX-HIFRSBDPSA-N 325.434 1.511 0 40 EDAB Cc1nnc2n1C[C@H](N[C@H](C(=O)NC(C)C)c1ccccc1)CC2 97199360 XFQKBMULCHAQFG-WBVHZDCISA-N 327.432 1.757 0 40 EDAB O[C@@H](CN1CCN(Cc2cccc(Cl)c2)CC1)Cn1cccn1 84367732 ZHJDPDGDOCBYFG-KRWDZBQOSA-N 334.851 1.715 0 40 EDAB Cc1ccc(NC(=O)Cn2ccnc2S(C)(=O)=O)c(Cl)c1 76092606 IQGQUZIDXJHJIN-UHFFFAOYSA-N 327.793 1.887 0 40 EDAB CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@H]1C2 306129599 IHXBLEAINWFCRN-OLZOCXBDSA-N 331.445 1.394 0 40 EDAB O=C(OCC(=O)N1CCC(c2ccccc2)=N1)c1cccc(CO)c1 84525277 GHSKJAXIXFTGPG-UHFFFAOYSA-N 338.363 1.972 0 40 EDAB O=C(NCCCN1CCOCC1)c1scnc1Br 95465114 ZVPFESVVLCAZLI-UHFFFAOYSA-N 334.239 1.358 0 40 EDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1c[nH]c3ncccc13)CC2 95400562 QGQVNDZLHHLNPD-LSDHHAIUSA-N 329.400 1.955 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H]1CCC[C@@]1(C)CO 95442309 LHLJNHDPIPABPO-ZFWWWQNUSA-N 329.466 1.374 0 40 EDAB CCc1nc(CN2CCN([C@@H]3CCCN(C(C)C)C3=O)CC2)no1 95964131 NWFBRZXMGGLVFG-CQSZACIVSA-N 335.452 1.149 0 40 EDAB Cn1ccnc1S(=O)(=O)[C@@H](C(=O)N1CCCCC1)c1ccccc1 78758615 QZHNPLFUHXITJH-OAHLLOKOSA-N 347.440 1.948 0 40 EDAB CN1CCN(C2CCN(Cc3cnn(-c4ccccc4)n3)CC2)C1=O 75131543 XQOYTRVPRHWBAD-UHFFFAOYSA-N 340.431 1.599 0 40 EDAB C[C@H](C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F)n1cccn1 75144290 NBUYURMPEWVIFS-SNVBAGLBSA-N 340.380 1.472 0 40 EDAB O=C(NCCN1CCOCC1)c1nc(-c2c[nH]c3ccccc23)no1 20726675 FBLLVKOIROHEOX-UHFFFAOYSA-N 341.371 1.280 0 40 EDAB CC(=O)Nc1ccc(-n2c(C)cc3c(cnc4ncnn43)c2=O)cc1 38783890 BHQGADMMGLAFFM-UHFFFAOYSA-N 334.339 1.695 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 8889245 JYWPYROBMQNMNY-QGZVFWFLSA-N 333.388 1.331 0 40 EDAB COc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](COC(C)=O)(O3)[C@@H]2C1=O 409298211 NWSMLAXGOOACII-BSXFFOKHSA-N 343.335 1.071 0 40 EDAB CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408611474 WIUKKECBHLKKBG-GFCCVEGCSA-N 328.434 1.587 0 40 EDAB O=C1C=C(Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CN1 524733181 CITINSVUPFOORB-UHFFFAOYSA-N 336.398 1.370 0 40 EDAB CC(=O)N1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)CC1 32980196 ZGFHQFYWZJZUEU-UHFFFAOYSA-N 346.383 1.111 0 40 EDAB Cc1cc(C)n(CCCNS(=O)(=O)c2cnn(C(C)C)c2)n1 72239135 RCQCGMLJVOLIOQ-UHFFFAOYSA-N 325.438 1.646 0 40 EDAB Cc1nn(-c2ccc(NC(=O)[C@@H]3CCC(=O)N3)cn2)c(C)c1Cl 72405752 JWEXKCRGDOGLKP-NSHDSACASA-N 333.779 1.755 0 40 EDAB Cc1cc(N2CCCN(S(=O)(=O)C3CC3)CC2)nc(C2CC2)n1 374571881 SRKPDFBTIGRZCR-UHFFFAOYSA-N 336.461 1.667 0 40 EDAB Cc1cc(C(=O)NCCN2CCOCC2)nc(N2CCCCCC2)n1 72241495 XMZRSKHOYDECCO-UHFFFAOYSA-N 347.463 1.227 0 40 EDAB CC[C@@H](C(=O)N[C@H](C)COC)N(c1ccccc1)S(C)(=O)=O 37021567 LJOAYCSPCRAZES-OCCSQVGLSA-N 328.434 1.382 0 40 EDAB COc1cc(NC(=O)COc2c(C)[nH]ccc2=O)cc(OC)c1OC 40286661 DJLLVOIMTUWNCG-UHFFFAOYSA-N 348.355 1.727 0 40 EDAB CCCNC(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 225773615 WPBRXRZLNJXLOO-UHFFFAOYSA-N 329.422 1.913 0 40 EDAB CN(C)c1nc(N)nc(CN2CCC[C@@H]2COc2ccccc2)n1 83172601 WWIIQHKAKSDRRG-CYBMUJFWSA-N 328.420 1.563 0 40 EDAB Cc1cccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)c1C 45973320 JVUSQAQXHOMPPA-MRXNPFEDSA-N 345.443 1.105 0 40 EDAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCO 222833724 ZXUGYEZTALYSIK-LBPRGKRZSA-N 326.824 1.822 0 40 EDAB Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2cnn(C)c2)cs1 96055633 LVORMOBZOUXZIC-LSDHHAIUSA-N 331.445 1.560 0 40 EDAB Cc1noc(-c2ccnc(N3CCN(C[C@@H]4CCCO4)CC3)c2)n1 96453197 VMGSABQXNDLSPH-HNNXBMFYSA-N 329.404 1.741 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@@H]12)N1CCOCC1 96057224 SOONLYJBGIRRAA-INMHGKMJSA-N 334.416 1.223 0 40 EDAB COCCN1CCC2(CC1)C[C@H](NC(=O)COC)c1ccccc1O2 96242761 GSRXQHNZBHYHKZ-INIZCTEOSA-N 348.443 1.754 0 40 EDAB Cc1nccc([C@H]2C[C@@H]3CCN(C(=O)c4ccnnc4)C[C@H]3O2)n1 96046162 ZGRSMZPPKTWTAC-APHBMKBZSA-N 325.372 1.567 0 40 EDAB Cc1ccc(CN2CC[C@@]3(C[C@H](NS(C)(=O)=O)CCO3)C2)cc1 96217694 JDJHEVLMUAGTAP-IAGOWNOFSA-N 338.473 1.668 0 40 EDAB CN(C)S(=O)(=O)N1CCC2(CCOC[C@H]2COCC2CC2)CC1 96106503 VSYFTAOIJFBCDP-HNNXBMFYSA-N 346.493 1.338 0 40 EDAB O=C(NCC(=O)N1CCc2ccccc2[C@H]1CO)c1cccc(F)c1 97097735 NFXHYGULUNXEPU-QGZVFWFLSA-N 342.370 1.674 0 40 EDAB CN(C)CCn1ccc(NC(=O)N(C)Cc2nccn2C(F)F)n1 96435370 DOGSIUHYUBZDHK-UHFFFAOYSA-N 341.366 1.700 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3c(F)cccc3F)C2)cn1 96410805 FDDMKLSMKNGYSN-SNVBAGLBSA-N 349.341 1.032 0 40 EDAB CO[C@H]1CCN(C(=O)Cc2ccccn2)[C@@H]2CN(CC3CC3)C[C@H]12 96109439 RXIORTPAAVHBKI-KSZLIROESA-N 329.444 1.582 0 40 EDAB Cn1ccnc1[C@H](NS(=O)(=O)CC1CCCC1)C1CCOCC1 583616347 XUXAICNRWYMYQR-OAHLLOKOSA-N 341.477 1.997 0 40 EDAB CC(C)c1cc(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)n(C)n1 583618876 WLGNFBQZYLLPBS-KRWDZBQOSA-N 346.435 1.450 0 40 EDAB CCc1ncc(C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)[nH]1 583622198 WWDJXAHQGBSNQN-WCQYABFASA-N 346.435 1.705 0 40 EDAB CS(=O)(=O)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96207076 LMALRTRAWROYHB-CABCVRRESA-N 326.418 1.181 0 40 EDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccccc1C 248089317 LVSSDOYRLXSXPP-BPUTZDHNSA-N 336.457 1.639 0 40 EDAB C[C@@H]1C[C@H]1N1C[C@@H](Nc2ncc(C(=O)N(C)C)cc2Cl)CC1=O 608094380 FDKJOUXOIOFROI-SUZMYJTESA-N 336.823 1.858 0 40 EDAB Cc1ccnc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257214995 COFKQLIUMIWRJF-OAHLLOKOSA-N 327.340 1.727 0 40 EDAB O=C(N[C@@H]1CC[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O)c1cccnc1 257203348 APPIGKVIHGXTRP-NCOADZHNSA-N 328.368 1.143 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)C[C@@H]1c1ccccc1 257216683 CVQZFBJZYJSJBC-OAHLLOKOSA-N 348.428 1.014 0 40 EDAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257256215 KKMZCHQTGQESDQ-CYBMUJFWSA-N 336.421 1.118 0 40 EDAB C[C@H](N[C@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ncn(C)n1 585117648 PZXBIMMSCSUGBR-FRRDWIJNSA-N 339.440 1.490 0 40 EDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1 253601117 JTXARINKZFKOCL-GFCCVEGCSA-N 333.417 1.762 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)n1 585139575 SUABPMHAFNZXBS-CYBMUJFWSA-N 333.413 1.862 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(C(=O)c2c(C)oc3c2CCCC3)C1 257299713 RREHKDVOIOAUMT-ZDUSSCGKSA-N 333.432 1.217 0 40 EDAB O=C(Cn1nnc2ccccc21)N[C@@H]1CCCN(c2ccccn2)C1 257226436 FKPGFSVPKJLEQP-CQSZACIVSA-N 336.399 1.612 0 40 EDAB Cc1cnc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)s1 257262929 LNRCSVCXNRYXPU-NSHDSACASA-N 326.447 1.753 0 40 EDAB CCn1cc(C(=O)N2CCN(C(C)=O)[C@H](c3ccccc3)C2)cn1 257279841 OIKGETPVNMMKOG-KRWDZBQOSA-N 326.400 1.949 0 40 EDAB O=S(=O)(Cc1ccccc1F)N1CC[C@H](O)[C@]2(CCCO2)C1 257204294 ATWIHZNEOFEDRX-GJZGRUSLSA-N 329.393 1.271 0 40 EDAB CN(Cc1cnn(C(C)(C)C)c1)Cc1ccccc1S(N)(=O)=O 353881671 LZNZGOWXGWAPRH-UHFFFAOYSA-N 336.461 1.918 0 40 EDAB O=C(COc1ccccc1F)NC[C@@H](O)c1ccc2c(c1)CCO2 85559074 SNESPAIYWIFDGD-OAHLLOKOSA-N 331.343 1.989 0 40 EDAB CN(CC(CO)CO)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 1615585438 GBZNSRLPFCTENP-INIZCTEOSA-N 338.404 1.309 0 40 EDAB COC(=O)[C@@H]1CN(c2ncnc3ccsc23)C[C@H]1c1cncn1C 1615615878 YSDGIZHYVGSZOJ-GHMZBOCLSA-N 343.412 1.818 0 40 EDAB Cn1cc(S(=O)(=O)Nc2ccccc2N=S(C)(C)=O)cn1 1616039318 UVWCVXCSHLFVJD-UHFFFAOYSA-N 328.419 1.580 0 40 EDAB CCCc1nnsc1C(=O)NCCn1ccnc1-c1ncccn1 96099062 XGKUNYMBRWQOGH-UHFFFAOYSA-N 343.416 1.574 0 40 EDAB Cn1cccc(C(=O)NCC[C@@H](O)c2cc3ccccc3o2)c1=O 96097208 SGPKTGMHEOKAKJ-CQSZACIVSA-N 326.352 1.985 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cccs2)[C@H]2CCO[C@H]21 585109401 NISAHPBYMGXXEP-IPYPFGDCSA-N 346.408 1.887 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)CCn1cnc2ccccc21 585279577 VUXBEYXMXYHVJQ-SFHVURJKSA-N 344.415 1.309 0 40 EDAB CCCCNC[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O 585291047 ILAKNDXSWJOEPD-WBVHZDCISA-N 340.851 1.206 0 40 EDAB CCOCC(=O)N1Cc2cncn2[C@@H](C(=O)NCc2cccs2)C1 585096047 OVWLWPGJYGNIKB-CQSZACIVSA-N 348.428 1.181 0 40 EDAB CC(=O)N1CCC(NC(=O)CN(C)Cc2ccc(Cl)s2)CC1 52892705 KPGLKWZUSJALMP-UHFFFAOYSA-N 343.880 1.960 0 40 EDAB COC(=O)COc1cc(C(=O)OCc2cnn(C)c2)ccc1OC 56229493 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PAIORCNKOGIOMS-UHFFFAOYSA-N 349.364 1.533 0 40 EDAB CN1CCc2nc([C@@H]3CCCN3C(=O)c3ccn(C)n3)ncc2C1 19290941 FWXSIODPEXKVBH-HNNXBMFYSA-N 326.404 1.175 0 40 EDAB Cc1cc(C)n(C[C@@H](O)CN(Cc2ncc[nH]2)Cc2ccco2)n1 19573756 AYWVLKDCFAHXLX-HNNXBMFYSA-N 329.404 1.879 0 40 EDAB COc1ncc(NC(=O)Nc2ccccc2)c(N2CCOCC2)n1 206731605 ZATQYOPZEIGYHM-UHFFFAOYSA-N 329.360 1.966 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)C(F)(F)F)C2=O)c(C)c1 158336784 QZMJKFJQYWWPSL-SMDDNHRTSA-N 330.306 1.994 0 40 EDAB O=C1CO[C@H]2CCN(C(=O)c3ccccc3C(F)(F)F)C[C@@H]2N1 333508667 LOOGFBZTORZQBQ-RYUDHWBXSA-N 328.290 1.435 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 252478059 ABSKIRDUYHHLDW-HZSPNIEDSA-N 329.393 1.749 0 40 EDAB COCCNCc1cc(Br)c(OCC(N)=O)c(OC)c1 8469042 YQPJRMXLLUKZAU-UHFFFAOYSA-N 347.209 1.058 0 40 EDAB Cn1c(N2CCO[C@H](C(=O)N3CCCCC3)C2)nc2cccnc21 1888903733 IQLZVGQQNMFEFE-AWEZNQCLSA-N 329.404 1.186 0 40 EDAB CCN=c1nc(N2CCN(c3ncnc(CC)c3F)CC2)cc[nH]1 1888909457 SNHHNSYHHZKDHU-UHFFFAOYSA-N 331.399 1.148 0 40 EDAB CN(c1ccccn1)C1CCN(CC2CCS(=O)(=O)CC2)CC1 1889062014 CMOWTQCVYJXFBE-UHFFFAOYSA-N 337.489 1.807 0 40 EDAB CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(O)nn1)c1ccccc1 24496293 JTXHJBQTNMHCMW-CQSZACIVSA-N 329.356 1.995 0 40 EDAB C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 29201903 KLVXXTZZILNFPE-HIFRSBDPSA-N 340.445 1.132 0 40 EDAB Cc1nn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c1Br 28576238 UAGSYEKFPVMWJA-RKDXNWHRSA-N 330.226 1.898 0 40 EDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(n2nccn2)CC1 238875224 NWJSXDAZGNETET-GFCCVEGCSA-N 344.371 1.638 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](Cn1nccn1)c1ccccc1 245131260 VLCNNMVYCWHYRE-AWEZNQCLSA-N 347.400 1.603 0 40 EDAB CC(C)N(C)CC(=O)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 1565550123 QMQBAPRREAYGAS-AOIWGVFYSA-N 347.459 1.697 0 40 EDAB O=C(COc1ccccc1)NCc1nnnn1-c1ccc(F)c(F)c1 9570904 OBZQFZDRUWCWLT-UHFFFAOYSA-N 345.309 1.636 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H]1COC2(CCCC2)O1 10220547 FFOFGINACCFVAQ-GFCCVEGCSA-N 344.367 1.085 0 40 EDAB CCCS(=O)(=O)N1CCCc2ccc(NS(C)(=O)=O)cc21 15781351 DPGUYNJKWRUDCM-UHFFFAOYSA-N 332.447 1.551 0 40 EDAB O=C(C1=NO[C@@H]2CN(C(=O)c3cccc(Cl)n3)C[C@H]12)N1CCCC1 2055713803 MIGLOYUKXMMPPJ-CMPLNLGQSA-N 348.790 1.184 0 40 EDAB Cc1cc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)nc(C)n1 2086882929 BRNBJAGFHWRQSH-ZDUSSCGKSA-N 340.374 1.556 0 40 EDAB CCOCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C 12647471 PLXUEBPHFNATPU-UHFFFAOYSA-N 337.424 1.308 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NC[C@H](O)c1ccc(C)o1 49026920 OSYSBKKBHSCBHQ-ZDUSSCGKSA-N 332.356 1.063 0 40 EDAB COc1ccc(CNC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cn1 50062875 CZTSJAHRSWBTDB-UHFFFAOYSA-N 341.371 1.602 0 40 EDAB O=C(NCCCN1CCCC1=O)NC[C@@H](c1ccco1)N1CCCC1 40476277 KENFWOGPNPDOAV-HNNXBMFYSA-N 348.447 1.728 0 40 EDAB CC(=O)c1ccc(O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 40467478 PLRYEJSDABXLLV-JSGCOSHPSA-N 339.413 1.302 0 40 EDAB Cc1cc(N2CCN(C(=O)Cn3cccn3)CC2)nc(C(C)C)n1 40476140 JNKJYDXFADFIIG-UHFFFAOYSA-N 328.420 1.454 0 40 EDAB C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCO1 11229712 PDDKVZQUUDYQIK-ZDUSSCGKSA-N 338.429 1.332 0 40 EDAB CCc1noc(CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)n1 31816771 YQEPWIRVOHFFHW-JTQLQIEISA-N 328.328 1.684 0 40 EDAB COc1cc2[nH]c(C(=O)N3CCN(C)CC3)cc2c(OC)c1OC 20566682 UBWDOITYXPUDJI-UHFFFAOYSA-N 333.388 1.581 0 40 EDAB O=C(Nc1ccc2cc[nH]c2c1)C(=O)N[C@H](CO)Cc1ccccc1 32090758 UCLZXFTUMUPQQE-INIZCTEOSA-N 337.379 1.826 0 40 EDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3594699 BWGUHLRUDOQZAP-SGTLLEGYSA-N 329.400 1.685 0 40 EDAB COc1cc(NC(=O)CSc2nc(N)cc(N)n2)cc(OC)c1 3605785 PMRBWALDBANZAM-UHFFFAOYSA-N 335.389 1.389 0 40 EDAB O=C(/C=C/c1cscn1)NS(=O)(=O)N1CCc2ccccc21 69565413 XXPAAYNRMBHVPW-AATRIKPKSA-N 335.410 1.580 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCCC(C)C 6282147 CIJUIIIRILMYEB-UHFFFAOYSA-N 342.461 1.786 0 40 EDAB O=C(COCC1CC1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 69574089 DUBQCHSURIXEJT-UHFFFAOYSA-N 341.385 1.079 0 40 EDAB CCOC(=O)c1ccc(-c2ccc(CNn3nnnc3N)o2)cc1 7602095 FKVBOEFLICFODJ-UHFFFAOYSA-N 328.332 1.436 0 40 EDAB COC(=O)c1cc(Cl)c(NC(=O)NCC[S@](C)=O)cc1OC 69596362 GNOQCVUCIKFFSQ-JOCHJYFZSA-N 348.808 1.635 0 40 EDAB CS(=O)(=O)N1CCc2cc(C(=O)NCCc3ccccn3)ccc21 21183927 CKLJGIXRJZQAKK-UHFFFAOYSA-N 345.424 1.376 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)c2ccccc2)cc1 8265933 XYNPUXWDQMDHOT-CYBMUJFWSA-N 348.424 1.851 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1CN1CCCC1 52399936 RVMBFUBBJAANAM-GOSISDBHSA-N 329.444 1.910 0 40 EDAB C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C[C@@H](C)O1 32855939 RLIUPGWQIQPCPE-GHMZBOCLSA-N 347.458 1.107 0 40 EDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCc2ccccc21 41249383 MNIVDRRGHSFZDL-ZDUSSCGKSA-N 330.409 1.943 0 40 EDAB C[C@H](C(=O)NCc1ccccc1F)S(=O)(=O)C[C@H]1CCCO1 32926092 JTYFPOURXGQGTB-DGCLKSJQSA-N 329.393 1.424 0 40 EDAB O=C1CN(c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CCN1 32913502 PQAGJOLCRWPERL-UHFFFAOYSA-N 335.367 1.751 0 40 EDAB NC(=O)[C@@H]1CCCN1Cc1ccccc1NC(=O)c1ccc(O)nc1 69741741 CYCQSWMRMARPOS-HNNXBMFYSA-N 340.383 1.489 0 40 EDAB CC(C)[C@@H](NC(=O)CN1CCOCC1)c1ccc2c(c1)OCCCO2 21842103 TWZDPZWFVQONDK-LJQANCHMSA-N 348.443 1.993 0 40 EDAB COc1cccc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 9879914 HEWYIWVGCSRXLI-UHFFFAOYSA-N 333.369 1.343 0 40 EDAB Cc1c(C2CC2)n[nH]c1NC(=O)CN1CC(=O)Nc2ccccc21 71904533 ODBXYKQVWAERAC-UHFFFAOYSA-N 325.372 1.993 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7307838 YKKQYKKINYPCTF-GFCCVEGCSA-N 346.474 1.548 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)nc2)C1 42041760 UCJHSXBZOZVLIJ-CQSZACIVSA-N 331.420 1.089 0 40 EDAB O=C(C[C@H](NCc1cccnc1)C(=O)O)Nc1ccc2c(c1)OCO2 28232167 KMQZJVQWKQYOSW-ZDUSSCGKSA-N 343.339 1.382 0 40 EDAB CN1C[C@@H](C(=O)NCc2cc(N(C)C)nc3ccccc23)CC1=O 75386054 QREJZRDFZKEPQV-ZDUSSCGKSA-N 326.400 1.395 0 40 EDAB COC(=O)CS[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 23223315 LHMRUEFLMPOYEF-VIFPVBQESA-N 331.415 1.536 0 40 EDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@H](C)Cn1ccnc1 42534829 PIGVKEPDIRXUHQ-OCCSQVGLSA-N 334.445 1.904 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNc2cc(C)nc3ncnn23)cc1 24215541 PNYYJOORTTWKMW-UHFFFAOYSA-N 346.416 1.132 0 40 EDAB CCCN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1 55171361 JGTBDABSZAETIP-UHFFFAOYSA-N 339.386 1.639 0 40 EDAB CCCCN(C)S(=O)(=O)NCCc1cc(F)cc2c1OCOC2 55246181 BCRXUSBAWZMZPV-UHFFFAOYSA-N 346.424 1.801 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)n1 106666398 RIGRFSOAYCTREV-AEFFLSMTSA-N 349.431 1.371 0 40 EDAB C[C@H](NC(=O)N[C@@H](C)c1nncn1C)c1ccc2c(c1)OCCO2 43481536 JJTWYNWZAABUCA-QWRGUYRKSA-N 331.376 1.708 0 40 EDAB CN1CCO[C@H](CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 106786011 ZLWDQCHDINZXGX-UKRRQHHQSA-N 348.365 1.365 0 40 EDAB Cn1cc(CN2CCN(C[C@@H](O)COCc3ccccc3)CC2)cn1 69628617 RYQNTQJPXHGBTO-LJQANCHMSA-N 344.459 1.115 0 40 EDAB CC(C)NC(=O)CN1CCN(c2ccnc(-c3ccccc3)n2)CC1 69668998 XLJDGQUEXVXSGK-UHFFFAOYSA-N 339.443 1.790 0 40 EDAB COCCCCNC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 69655702 GEGRLUBKFYGLEC-HNNXBMFYSA-N 337.439 1.879 0 40 EDAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(c2ncccn2)CC1 57395514 KHQFBQMHJZJJQA-LBPRGKRZSA-N 347.369 1.904 0 40 EDAB C[S@@](=O)c1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1 44226896 ZYHJQSQGTJYGHW-QHCPKHFHSA-N 332.429 1.672 0 40 EDAB Cc1ccc(-n2cnnn2)cc1NC(=O)CCNC(=O)[C@@H]1C[C@@H]1C 44600096 UAJSXMOOBKHCKE-WCQYABFASA-N 328.376 1.072 0 40 EDAB NC(=O)NC[C@@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 58171618 OYQRONQBSZAITK-AWEZNQCLSA-N 329.404 1.541 0 40 EDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2nnn[nH]2)cc1 44888973 LLNXEVIWFSBCMQ-QGZVFWFLSA-N 348.410 1.871 0 40 EDAB C[C@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)NC1CC1 10241723 JEELJQSAUWRNJX-QMMMGPOBSA-N 345.804 1.567 0 40 EDAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(c2cnccn2)CC1 27634746 MCGORQADLYMDLS-ZDUSSCGKSA-N 330.392 1.312 0 40 EDAB COCCN1CCN(CCC(=O)N2CCc3ccccc32)C[C@H]1C 69706738 OYVQJWFPZXIVMK-MRXNPFEDSA-N 331.460 1.618 0 40 EDAB COC(=O)CNC(=O)c1cccc(NC(=O)/C=C/c2cccnc2)c1 58230182 FAGHODUHPHWAJL-BQYQJAHWSA-N 339.351 1.636 0 40 EDAB COC(=O)[C@@H](COC(=O)c1cnn2cccnc12)Cc1ccccc1 58289779 DQFSENGKNUHMPT-CQSZACIVSA-N 339.351 1.918 0 40 EDAB CN(C)c1cccc(CNC(=O)Cn2nnc(-c3ccccc3)n2)c1 58380577 AABPFXHBEHJRRR-UHFFFAOYSA-N 336.399 1.723 0 40 EDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC[C@@H]2CCCO2)c1 27970069 SBTLSFRHYUETSR-NSHDSACASA-N 347.820 1.974 0 40 EDAB O=C(NCC[C@H]1CCCO1)c1cccc(N2CCCS2(=O)=O)c1 58403655 YWPKVNOBKHWUHU-OAHLLOKOSA-N 338.429 1.525 0 40 EDAB O=C(Cn1cnc2ncccc2c1=O)N1CCc2sccc2C1 58419385 UFEVIYDJRAIBSL-UHFFFAOYSA-N 326.381 1.438 0 40 EDAB CCNC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 58482614 JCACGIPGXBPMOU-UHFFFAOYSA-N 345.852 1.812 0 40 EDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1COc2ccccc2C1 48248168 FBXYQFNSMAWBHM-ZDUSSCGKSA-N 343.383 1.524 0 40 EDAB O=C(OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)C1CC1 7778264 XOEZSCQVEQTLBN-AWEZNQCLSA-N 343.445 1.288 0 40 EDAB CC1CCN(c2ccc(NC(=O)CN3C(=O)CN(C)C3=O)cc2)CC1 8068343 YNUWMTJAQWJJNY-UHFFFAOYSA-N 344.415 1.755 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)[C@@H](C)S(C)(=O)=O)Oc2ccccc21 65410354 QTHLSQWHOHXORZ-CHWSQXEVSA-N 340.445 1.165 0 40 EDAB NC(=O)C1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 65553363 SEEFVZFXOXUBON-AWEZNQCLSA-N 334.420 1.323 0 40 EDAB COc1ccccc1NC(=O)c1ccccc1CN1C(=O)CNC1=O 14104505 OFZLYIQRPQSUCE-UHFFFAOYSA-N 339.351 1.999 0 40 EDAB COc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)N(C)OC 14183967 AKDMAKVCMTVBRQ-UHFFFAOYSA-N 342.417 1.550 0 40 EDAB O=C1C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1 14136743 AREQBVOQTIMDQR-UHFFFAOYSA-N 338.319 1.906 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(C)n1Cc1ccccc1 6531802 ZNMULRGJNXRKSS-SNVBAGLBSA-N 333.417 1.571 0 40 EDAB CN(CC1CCCC1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 69148594 LATDEYIWBKDYCS-UHFFFAOYSA-N 345.509 1.327 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)NCCN(C)[C@H](C)CC 66136927 RQIYSITZYRUJJT-CQSZACIVSA-N 335.448 1.662 0 40 EDAB CCc1noc(-c2ccc(CCNC(=O)N3CCOCC3)cc2)n1 69224181 YHMKGONCOWHXRJ-UHFFFAOYSA-N 330.388 1.883 0 40 EDAB Cn1cc(C(=O)NCC(=O)Nc2cccc3ccccc23)ccc1=O 69708574 DVSZHQKUFQRLNX-UHFFFAOYSA-N 335.363 1.907 0 40 EDAB C[C@H](Cn1cncn1)NS(=O)(=O)/C=C/c1ccccc1Cl 66579557 KDUKKWSHHSOHOM-XUIVZRPNSA-N 326.809 1.910 0 40 EDAB CCNC(=O)CCCC(=O)Nc1ccccc1N1CCN(C)CC1 69352132 LJPNQERCQWUVPX-UHFFFAOYSA-N 332.448 1.683 0 40 EDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)N1CCc2ccccc2C1 69870891 TXVIGJHBFLGSEW-MRXNPFEDSA-N 339.443 1.575 0 40 EDAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cnccn2)c1C 18092915 XXSLKTIYVFXCHX-UHFFFAOYSA-N 334.401 1.596 0 40 EDAB CN(C)C[C@H]1CN(CC(=O)NCCc2c[nH]c3ccccc23)CCO1 69981881 BXVLIBCVSLOHRZ-INIZCTEOSA-N 344.459 1.089 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)[C@H](C)n3cncn3)C2)c1 69920816 FTRNXLBWULCGSL-UONOGXRCSA-N 329.404 1.490 0 40 EDAB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC[C@@H]1CCCO1 8748298 LGFXTYBCGDGILK-STQMWFEESA-N 347.444 1.747 0 40 EDAB O=c1c2cnc3ncnn3c2cc2n1C(=S)N[C@@H]2c1ccccc1 22606875 XWGDUPITWQKKLC-CYBMUJFWSA-N 334.364 1.265 0 40 EDAB COCCCN1CN=C(Nc2nc(C)c3cc(OC)ccc3n2)NC1 19330385 DXKKPABWYOIWOS-UHFFFAOYSA-N 344.419 1.571 0 40 EDAB COc1cn(CC(=O)NCCSc2ccccc2)c(CO)cc1=O 71285318 BMGHGSFJJTXWDF-UHFFFAOYSA-N 348.424 1.258 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCNC1 71397488 SECYGLYUXCXECI-SNVBAGLBSA-N 349.250 1.488 0 40 EDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(CCOc3ccccc3)C2)C1=O 89914255 BQHHSAJKVJKIGW-RDTXWAMCSA-N 331.416 1.718 0 40 EDAB CC(C)NC(=O)CNC(=O)CSc1nc2cc(Cl)ccc2[nH]1 9365444 ZVGHKXABKWUYKQ-UHFFFAOYSA-N 340.836 1.949 0 40 EDAB O=C(CN1CCC(OC[C@@H]2CCCO2)CC1)Nc1nccs1 83406215 OSWPGVNEEFBNPN-ZDUSSCGKSA-N 325.434 1.742 0 40 EDAB Cn1c(NNc2nc3ccccc3c(=O)n2C)nc2ccccc2c1=O 9482518 JBPRINZAUCJRPT-UHFFFAOYSA-N 348.366 1.619 0 40 EDAB CN(C)c1ccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 72287336 SVUITDIMJIFGTF-HNNXBMFYSA-N 327.388 1.021 0 40 EDAB CN(Cc1nnnn1C1CC1)C[C@@H](c1cccs1)N1CCOCC1 75603772 VKXCVOLUZHRJMF-AWEZNQCLSA-N 348.476 1.575 0 40 EDAB CNC(=O)C1(C(=O)N2CCCN(Cc3nccn3C(C)C)CC2)CC1 71879506 CAPSEZSMCGJVMF-UHFFFAOYSA-N 347.463 1.025 0 40 EDAB CC[C@@H]1CN(CCC(=O)N2CCc3ccccc32)CCN1C[C@@H](C)O 71877544 SNCOEHLZUXRVLJ-SJLPKXTDSA-N 345.487 1.743 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(=O)n(C)c1 71894387 NALNNBOYXDEWII-OAHLLOKOSA-N 325.412 1.732 0 40 EDAB CCc1nnsc1C(=O)N1CCC(Nc2ccc(C)nn2)CC1 71863531 VGZHUDKHDUNCIS-UHFFFAOYSA-N 332.433 1.916 0 40 EDAB C[C@H]1CCCC[C@H]1N(C)C(=O)COCC(=O)NCc1cccnc1 71888960 FABLCWMSCMAPJJ-GOEBONIOSA-N 333.432 1.752 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)Cc2cccc(Br)c2)CC1 71871471 VSZYGWWAAPJSTB-GFCCVEGCSA-N 341.249 1.517 0 40 EDAB O=C(CNC(=O)c1c(F)cccc1Cl)NCC[C@H]1CCCO1 71885990 XIDWRQGBJCIWBJ-SNVBAGLBSA-N 328.771 1.894 0 40 EDAB CCN1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(OCCOC)cc2)C1 76058488 DZUXRLHZUWUNHP-XJKSGUPXSA-N 342.461 1.330 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1noc(C2CC2)n1 76044597 HCJJDOHKEQEOAS-ZYHUDNBSSA-N 339.417 1.435 0 40 EDAB C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc23)C[C@@H]1N1CCOCC1 76053387 BTERBUMQBVUGBV-GUYCJALGSA-N 341.411 1.321 0 40 EDAB NS(=O)(=O)c1ccc(N2CCN(c3ncccc3F)CC2)cc1 84484040 ZNRYHFKFLKQMEK-UHFFFAOYSA-N 336.392 1.195 0 40 EDAB O=C(NCCn1cccc1)NCc1ccc(C(=O)NC2CC2)cc1 84434118 YZIFGEDRFSZWRQ-UHFFFAOYSA-N 326.400 1.880 0 40 EDAB CC1(C)OC[C@@H](CNC(=O)COc2ccc3ccc(=O)oc3c2)O1 84673860 QGPPOOKMSVQPQZ-CYBMUJFWSA-N 333.340 1.440 0 40 EDAB O=C(NC(CO)CO)c1nc(-c2ccccc2)n(-c2ccccc2)n1 95456349 KQTPCTIJANNCKK-UHFFFAOYSA-N 338.367 1.017 0 40 EDAB Cc1cnn(CCC(=O)N(C[C@@H]2CN(C)CCO2)c2nccs2)c1 95402097 JPZYQRZRMCKKRT-AWEZNQCLSA-N 349.460 1.402 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cn1 95433028 PEPCRJPAEOUBEX-GFCCVEGCSA-N 349.334 1.451 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)n1 78893035 LJNHUADORAXHNA-CQSZACIVSA-N 329.404 1.601 0 40 EDAB CC(=O)NC[C@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)CCO1 75140620 JKHRCLYBEUCMEK-VIFPVBQESA-N 332.734 1.595 0 40 EDAB Cc1cc(C)n(C[C@@H](C)NC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 75121349 XEQRVMIZCFHDGM-CYBMUJFWSA-N 331.420 1.693 0 40 EDAB O=C(COc1cccc(C(F)(F)F)c1)NCCn1ncccc1=O 23137063 LRXTXBQPVNOTCE-UHFFFAOYSA-N 341.289 1.457 0 40 EDAB Cc1cc(O)ccc1CC(=O)NC1CCN(C[C@@H]2CCOC2)CC1 1548650637 XKHLXXSEPAUBGF-HNNXBMFYSA-N 332.444 1.860 0 40 EDAB O=C(O)[C@@H]1CS[C@H](Cc2cccc(Br)c2)C(=O)N1 62712286 LWYBTSVQTZRYHM-VHSXEESVSA-N 330.203 1.676 0 40 EDAB COC(=O)[C@@H]1[C@H]([C@@H](O)OC)ON(Cc2ccccc2)[C@H]1c1ccco1 5915174 RNUIIBQFSACBLH-CUSZFKRNSA-N 347.367 1.891 0 40 EDAB biogenic C[C@H](NC(=O)N1CCO[C@@H](Cc2ccccc2)C1)c1nncn1C 182718419 GVDNFOFIQRDSFF-ZFWWWQNUSA-N 329.404 1.529 0 40 EDAB CN1CCN(c2ncc(-c3cnccn3)c([C@H]3CCCO3)n2)CC1 72324890 URAFCTCILLUWAD-OAHLLOKOSA-N 326.404 1.537 0 40 EDAB FC(F)(F)Cn1cc(CNc2nnc(-c3ccon3)s2)cn1 557624278 ASQCSIPQRRPDKX-UHFFFAOYSA-N 330.295 2.564 0 40 EDAB NC[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218500392 FFTOTBKRELNJLK-ULQDDVLXSA-N 335.400 1.703 0 40 EDAB CCc1nsc(N2CCN(Cc3ccc(C(=O)NC)cc3)CC2)n1 76063040 FPBJXOZSDIZRGY-UHFFFAOYSA-N 345.472 1.782 0 40 EDAB Cc1c(C(=O)N2[C@H]3CC[C@@H]2CC(O)(c2cccnc2F)C3)cnn1C 72337345 JSJSNATZDBYVLU-NCNPBXTDSA-N 344.390 1.917 0 40 EDAB Cc1nnc(-c2cccc(C(=O)NC[C@H](C)CN3CCOCC3)c2)o1 73883355 BVLWYZPHZVJFSX-ZDUSSCGKSA-N 344.415 1.743 0 40 EDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(F)c(F)c1 71980083 WYKNTQLGSRPJIA-ZDUSSCGKSA-N 340.326 1.312 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC 218511304 DZPXMTWLOUKYEI-IPYPFGDCSA-N 345.848 1.749 0 40 EDAB CC[C@@](CNC(=O)[C@H]1CCCS1(=O)=O)(C(=O)O)c1ccccc1 565225692 SATFCDSPDKTKLF-CJNGLKHVSA-N 339.413 1.112 0 40 EDAB COCC(=O)N[C@H](C(=O)N(C)[C@H]1CCc2ccccc2C1)C(C)C 78114854 HDGCSCFWWDOWSC-WMZOPIPTSA-N 332.444 1.790 0 40 EDAB COc1cc(NC(=O)COc2c(C)occc2=O)cc(OC)c1OC 40267990 HVLNLTXCTTWDRY-UHFFFAOYSA-N 349.339 1.992 0 40 EDAB CCc1nc(C)cc(Sc2nnc(N3CCOCC3)n2CC)n1 225816799 CPNOOQWRVSZUIM-UHFFFAOYSA-N 334.449 1.947 0 40 EDAB Cc1cc(C(=O)NCCn2c(=O)[nH]c3ccsc3c2=O)c(C)o1 225805547 FJCWVLYLUUKUDE-UHFFFAOYSA-N 333.369 1.391 0 40 EDAB Cc1nn(CC(=O)Nc2ccc(C(N)=O)cc2)c(=O)c2c1CCCC2 40268126 KFQDYVTZLZVCEI-UHFFFAOYSA-N 340.383 1.168 0 40 EDAB CC(C)(CCCO)CNS(=O)(=O)c1cnnn1-c1ccccc1 583652112 YSFRAYVLFOYIBV-UHFFFAOYSA-N 338.433 1.344 0 40 EDAB CN1CCN(Cc2cccnc2)[C@@]2(CCN(Cc3ccco3)C2)C1=O 96229607 CEAUDMJAQVJYHK-LJQANCHMSA-N 340.427 1.593 0 40 EDAB C[C@@H](O)CNC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 192487449 TWXYKYUYHNRJNK-RISCZKNCSA-N 345.365 1.960 0 40 EDAB O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1)C1CC1 96296345 VRELDBHCOUBTFZ-ZDUSSCGKSA-N 341.367 1.704 0 40 EDAB biogenic,in-vitro Cc1cc(CN2CCC[C@@H](NS(C)(=O)=O)C2)ccc1-n1cncn1 96489799 YQQDIVPMKRDGGO-OAHLLOKOSA-N 349.460 1.089 0 40 EDAB Cc1cc(C(=O)N2Cc3nccn3C[C@H](CN(C)C(C)C)C2)no1 96188324 MIDMFALPSPFVSV-AWEZNQCLSA-N 331.420 1.792 0 40 EDAB Cn1ncnc1CNC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 96439992 LVCKMZDTSIIZOJ-LLVKDONJSA-N 336.346 1.171 0 40 EDAB CC[C@@H]1C[C@H](C(=O)Nc2cn(C)nc2-c2cnn(C)c2)CC(=O)N1 582250641 XXIPMYOBASVHKB-CMPLNLGQSA-N 330.392 1.064 0 40 EDAB O=C([C@H]1CCCO1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 96161369 IWIQISQYZNZDNG-HZPDHXFCSA-N 328.412 1.688 0 40 EDAB O=C([C@@H]1CCOC1)N1CCO[C@@H]2C[C@@H](COCc3ccccn3)C[C@H]21 96250886 DHSKPNJGSURCRX-BURFUSLBSA-N 346.427 1.641 0 40 EDAB c1cnc(N2CCOC[C@]3(CCCN(CC4CCOCC4)C3)C2)cn1 96049653 LZSBPLKZQWQJSZ-IBGZPJMESA-N 346.475 1.822 0 40 EDAB O=C(CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)N(C1CCCC1)C1CC1 583619685 GQXBZMFYEKBIBB-RCCFBDPRSA-N 336.476 1.782 0 40 EDAB CN(C)CCN1C(=O)CC[C@]12CCCN(Cc1cccnc1)CC2 96217712 KBDQYJDURGYAHD-IBGZPJMESA-N 330.476 1.990 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(c3nnc(C4CC4)o3)C2)on1 96110133 GSADCAIDXAZEJR-BDJLRTHQSA-N 330.344 1.284 0 40 EDAB COc1cc(N2CCOC[C@H]2c2nccc(NCC3CC3)n2)ncn1 96209895 ANYSUKYETKFCBP-ZDUSSCGKSA-N 342.403 1.675 0 40 EDAB CN(C)CCOC[C@@H]1CN(C(=O)c2cccs2)Cc2nnn(C)c21 96045457 RDNDGMZKAXSABJ-LBPRGKRZSA-N 349.460 1.194 0 40 EDAB CCN1C(=O)[C@]2(CC[C@@H]3CN(S(=O)(=O)CC(C)C)C[C@@H]32)N=C1C 96261457 AHJSQTSILZQYHS-IJEWVQPXSA-N 341.477 1.333 0 40 EDAB C[C@@](O)(CNC(=O)NC1CCN(CC(F)F)CC1)c1ccccc1 95397253 HGQPRFGWSZBMRJ-QGZVFWFLSA-N 341.402 1.923 0 40 EDAB O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cc2ccccc2[nH]1 246185755 NTIGLFRTMZNFCC-WRFANHODSA-N 349.390 1.705 0 40 EDAB C[C@]1(O)CCN(C(=O)c2cccnc2O)C[C@@H]1Oc1cccc(F)c1 257247932 JBFJAFLTNSYKQF-YJBOKZPZSA-N 346.358 1.971 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](CO)c2cccnc2)c1 585088156 MUYJGTPZZNCQAE-GUYCJALGSA-N 328.368 1.901 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2cc(C)on2)n1 257333857 YDJZEZKAPJZWQV-HNNXBMFYSA-N 329.360 1.386 0 40 EDAB COCCOc1cccc(C(=O)NCCCOc2ncccn2)c1 585130463 QQGFVTMHMHWWAQ-UHFFFAOYSA-N 331.372 1.701 0 40 EDAB CC(C)c1nsc(N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)n1 585132830 YTXPWFQVMYFOKX-LBPRGKRZSA-N 344.506 1.361 0 40 EDAB CC(C)(CCC(=O)NC1(CO)CCSCC1)N1CCOCC1 585121487 QPEMPUSVNHFPNS-UHFFFAOYSA-N 330.494 1.252 0 40 EDAB Cn1ccnc1CN1CCOC[C@@H](Cc2ccc3[nH]ncc3c2)C1 257333327 YBCSJVSQFSBPLW-HNNXBMFYSA-N 325.416 1.988 0 40 EDAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CCC[C@@H]1c1ccnc(O)n1 257284829 PEMOZNZNBPAIHG-OAHLLOKOSA-N 336.355 1.945 0 40 EDAB CN(C)CC(=O)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257256074 KJZRSKISDHDOCJ-INIZCTEOSA-N 347.390 1.866 0 40 EDAB CCc1cc(C(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)on1 257326551 WXPYNKGIPXFJBO-CYBMUJFWSA-N 332.360 1.206 0 40 EDAB COc1ccccc1[C@@H]1Cn2ccnc2CN1C(=O)CCC(=O)O 257341971 ZMPHSXNNLDISOX-ZDUSSCGKSA-N 329.356 1.840 0 40 EDAB CCCN1CCN(C(=O)c2cc(C)nc([C@H]3CCCN3C)n2)CC1 257253367 JYPHRGZFTGJZPR-MRXNPFEDSA-N 331.464 1.720 0 40 EDAB COc1ccc(OCC(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)cc1 257279451 OGSYARWGAVOAKI-WMZOPIPTSA-N 335.400 1.871 0 40 EDAB CCc1ocnc1C(=O)N1CCCN(Cc2cnn(CC)c2)CC1 265818821 QWSDDOFANFIXTC-UHFFFAOYSA-N 331.420 1.802 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1c[nH]c2ccccc12 390830594 MCKVCHVOJBZFCL-GFCCVEGCSA-N 347.382 1.614 0 40 EDAB Cc1nnsc1C(=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575605024 FYIZDHBUAVLQIJ-SECBINFHSA-N 325.781 1.583 0 40 EDAB CN(C)c1c[nH]ccc1=NC(=O)N[C@@H]1CCO[C@H]1c1ccncc1 585123606 JMODPSHDJPSXFP-ZBFHGGJFSA-N 327.388 1.616 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)Cc1c(C)nc2ccccn12 585278692 QWGURPOOEODVME-GOSISDBHSA-N 344.415 1.068 0 40 EDAB COC(=O)c1ccnc(N2CCCN(C(=O)c3cnccn3)CC2)c1 55504453 VOJOEFBQWWMNTJ-UHFFFAOYSA-N 341.371 1.011 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)CN2CCc3ccccc32)C1 51183555 MFTSXKVEYOCBSY-HNNXBMFYSA-N 325.416 1.584 0 40 EDAB C[C@H](C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1)N1C(=O)CCC1=O 51442846 XEZJYWWBKSFVOS-BZNIZROVSA-N 344.367 1.087 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCc3c[nH]nc3C)CC2=O)c(F)c1 68271775 JECZEXBZVWRHOV-LBPRGKRZSA-N 330.363 1.835 0 40 EDAB COc1cc(CNC(=O)N2CC[C@H](N3CCCC3)C2)cc(OC)c1O 66190475 QFJDDVTWERTDHE-AWEZNQCLSA-N 349.431 1.789 0 40 EDAB COCCN1CCN(CC(=O)N2CCC(c3ccccc3)=N2)C[C@@H]1C 70008508 XOQHYERHNDJRGT-INIZCTEOSA-N 344.459 1.276 0 40 EDAB O=C1C[C@@]2(CCSC2)C(=O)N1C[C@H](O)COCc1ccccc1 69159021 BSWZSUQSTPPKNB-WMLDXEAASA-N 335.425 1.446 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCC(NC(=O)OC(C)(C)C)CC1 69568597 PPASSDHTYKFBMB-ZDUSSCGKSA-N 325.453 1.986 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1 69657690 TYVLDPPLANUADI-AWEZNQCLSA-N 340.445 1.578 0 40 EDAB CN(C)c1ccccc1CN1CCN(C(=O)N2CCOCC2)CC1 78047050 JLFKRYBDXCBZMR-UHFFFAOYSA-N 332.448 1.322 0 40 EDAB c1ccc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 96411867 HCZOUYQZGBXWMO-UHFFFAOYSA-N 339.443 1.635 0 40 EDAB Cc1nn(C)c(C(=O)N(C)Cc2cnn(C)c2C)c1Br 2778726 RMZQIHAXYFXEED-UHFFFAOYSA-N 340.225 1.805 0 40 EDAB O=C(N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(=O)[nH]n1 12337410 UALJUGLVVNBHHR-CQSZACIVSA-N 341.367 1.573 0 40 EDAB Cc1nc(O)cc([C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 12337888 OEGITIUGTBXLHI-CYBMUJFWSA-N 341.367 1.778 0 40 EDAB O=C(CSc1ccc(NC(=O)C2CC2)nn1)NCc1ccco1 13701941 ZHOCDEKGTWQICM-UHFFFAOYSA-N 332.385 1.827 0 40 EDAB CC(C)Nc1nc([C@H]2CC(=O)N(Cc3ccccn3)C2)cc(=O)[nH]1 19450234 ZLIDLEXWALVBSL-LBPRGKRZSA-N 327.388 1.501 0 40 EDAB CCCCS(=O)(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 19502304 PPSPJMMBLIZOIU-UHFFFAOYSA-N 347.440 1.897 0 40 EDAB COc1ccc(N2C(=O)C[C@H](NCCCCCC(=O)O)C2=O)cc1 19941808 DXYGOJQVMJGKEF-AWEZNQCLSA-N 334.372 1.562 0 40 EDAB Cc1nc(C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)cs1 225502450 LPFPKFGIIZZDSW-LBPRGKRZSA-N 347.444 1.991 0 40 EDAB Cn1cc(C(=O)NC[C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cn1 643584967 CDTVIZQKZVUMMX-CSMYWGQOSA-N 347.390 1.898 0 40 EDAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CN1CCN(Cc2ccccn2)CC1 22924701 OGQNTZLGZHLYAL-IAGOWNOFSA-N 342.443 1.332 0 40 EDAB CCN(c1ncnc2[nH]cnc12)[C@@H]1CCOC2(CCN(C)CC2)C1 2037844728 ZXHVZMHITLYYMN-CYBMUJFWSA-N 330.436 1.823 0 40 EDAB COc1cnc(C(=O)N2CC3(C[C@@H](NC4CCCC4)CS3)C2)cn1 2056223483 NUQOTAZPBABTQT-CYBMUJFWSA-N 348.472 1.718 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)n1 1614946696 AAVYCWQLKCIRNF-INIZCTEOSA-N 345.428 1.536 0 40 EDAB CC1=C(C(N)=O)[C@H](c2ccc(Br)cc2)NC(=S)N1 4317135 JRKSRFVGMMUROH-JTQLQIEISA-N 326.219 1.727 0 40 EDAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1C 9822552 QXOMLPQGKKYBGO-HNNXBMFYSA-N 346.408 1.609 0 40 EDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(c3ncccn3)C2)C1 2055835428 FHPVBWSEIZHRCR-QGZVFWFLSA-N 338.371 1.626 0 40 EDAB O=C(NCc1ccco1)C(=O)NC[C@H](c1cccs1)n1cccn1 575614450 TXBAJZQBCLPCSV-CYBMUJFWSA-N 344.396 1.560 0 40 EDAB c1cc(N2CCN(c3nccn4nccc34)CC2)nc(-n2ccnc2)c1 2298088998 JKMFACGXKKYZSX-UHFFFAOYSA-N 346.398 1.637 0 40 EDAB O[C@H](CNC[C@H]1COc2ccccc2O1)COc1ccccc1F 7653967 KLUNJYXSFMNMHE-KGLIPLIRSA-N 333.359 1.995 0 40 EDAB Cn1nc(-c2cccnc2)nc1[C@H]1CC[C@@H](O)[C@H](NC(=O)C2CC2)C1 2332241747 ZZODUIWVGCMDEC-NWANDNLSSA-N 341.415 1.400 0 40 EDAB CS(=O)(=O)N1CCc2cc(C(=O)NCCCn3cccn3)ccc21 30169684 LAVCAWGKCBEFTA-UHFFFAOYSA-N 348.428 1.025 0 40 EDAB CCNC(=O)CN1CCN(C[C@H](O)c2ccccc2Cl)CC1 40105743 WEBZFULSRAWCIP-HNNXBMFYSA-N 325.840 1.127 0 40 EDAB Cc1nc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cs1 31272135 UHZQQHIPIIKFHJ-LBPRGKRZSA-N 333.413 1.752 0 40 EDAB Cc1ccc2c(c1)S[C@H](C(=O)NC1CCN(CC(N)=O)CC1)C2 40490389 VPCWQGXGGXKEPF-HNNXBMFYSA-N 333.457 1.078 0 40 EDAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCC(=O)NC1CC1 40465492 OITCMNKPHWSICN-UHFFFAOYSA-N 330.363 1.637 0 40 EDAB CCOc1ccc(OC[C@H](O)Cn2nnc3ccccc3c2=O)cc1 40477421 SLFHEKJBWYMMOM-CYBMUJFWSA-N 341.367 1.630 0 40 EDAB CCN(C(C)=O)c1nc(CN2CCO[C@H](Cn3cccn3)C2)cs1 69392439 FBSQDEMPVUZPCX-HNNXBMFYSA-N 349.460 1.613 0 40 EDAB Cc1cnn(C2CN(CC(=O)/N=c3\cc[nH]n3[C@H](C)C3CC3)C2)c1 100941648 HEDVEQYXRHMIFK-MMOSJZJFSA-N 328.420 1.276 0 40 EDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc3c(c2)OCCO3)s1 102964780 QXJJTKRXSYOKHU-IDMWQADZSA-N 345.420 1.432 0 40 EDAB O=C(O)C1=C[C@H](c2ccc(O)cc2)n2nc(C(F)(F)F)nc2N1 101600024 CRZZOLDNNMQJIO-SECBINFHSA-N 326.234 1.986 0 40 EDAB CNC(=O)c1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1C 102716928 MOEXHDHMCVKKCC-AWEZNQCLSA-N 328.416 1.833 0 40 EDAB Cc1ccc2c(c1)CCCN2C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 32809608 MYEHFHWDSAZNDH-UHFFFAOYSA-N 349.390 1.978 0 40 EDAB COc1cc2c(cc1OC)CN(CC(=O)NC(=O)NC(C)(C)C)CC2 2625522 CZRZBIPIHQWAKK-UHFFFAOYSA-N 349.431 1.686 0 40 EDAB O=C(NC1CCN(C[C@@H](O)c2ccc3c(c2)OCCO3)CC1)C1CC1 52827947 LVXOJUFCKITJEI-MRXNPFEDSA-N 346.427 1.482 0 40 EDAB Cc1cccc(C)c1-n1nnn([C@@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 103003109 SJGXZUZHZUEVGZ-QKCSRTOESA-N 332.385 1.671 0 40 EDAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NC3CCCCC3)ccc21 50142985 KWNOXHZMAIWKJW-UHFFFAOYSA-N 330.388 1.264 0 40 EDAB O=S1(=O)N=C(NC[C@H]2COc3ccccc3C2)c2ccccc21 22391490 PMVOGSQDLQTINU-LBPRGKRZSA-N 328.393 1.976 0 40 EDAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 22409536 YALFXJOMWKLTOO-UHFFFAOYSA-N 346.817 1.788 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1CCN(Cc2nccn2C)CC1 69444560 MLKINJXOOQYJEB-UHFFFAOYSA-N 347.488 1.258 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3nc(-c4ccco4)no3)CCO2)c1 69452114 AWTIHACLGKOJRV-CYBMUJFWSA-N 329.360 1.736 0 40 EDAB CN1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1 69420295 IMPSNRTYBBKALX-UHFFFAOYSA-N 329.441 1.132 0 40 EDAB Cc1nnc2n1CCN(C(=O)C(C)(C)c1ccc3c(c1)OCCO3)C2 69459304 HSORIJJIPUXVIS-UHFFFAOYSA-N 342.399 1.678 0 40 EDAB NC(=O)CN1CCCN(C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 69441406 ZINTWTSPXIDAOX-RYUDHWBXSA-N 335.370 1.375 0 40 EDAB O=S(=O)(NCCCN1CCOCC1)c1ccc(F)c(F)c1F 23409083 FFTILEOBORMKRT-UHFFFAOYSA-N 338.351 1.105 0 40 EDAB C[C@@H]1CN(C(=O)NC[C@@H](C)[S@@](C)=O)CCN1CC(F)(F)F 110697428 KSVWQCIKRXFBNF-QDXVKYEASA-N 329.388 1.031 0 40 EDAB C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@H]1CCS(=O)(=O)C1 42868833 VLLCLOGCPHXBJI-AAEUAGOBSA-N 326.418 1.200 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 24347178 UUUUODKKFLXALL-SJKOYZFVSA-N 330.340 1.487 0 40 EDAB Cc1cccn2c(=O)c3cc(C(=O)N4COCC4(C)C)n(C)c3nc12 2917269 KEHNVKVZWAGAMX-UHFFFAOYSA-N 340.383 1.703 0 40 EDAB O=C1CCCc2[nH]c(=O)c(C(=O)OCc3ccc4c(c3)OCO4)cc21 89807049 KZMWCLCKUFJHBB-UHFFFAOYSA-N 341.319 1.980 0 40 EDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)CCN1C(=O)CCC1=O 105936149 SNGOJSWZHCIMEL-FRRDWIJNSA-N 338.404 1.010 0 40 EDAB C[C@@H]1[C@@H](NC(=O)CN2CCN(C(=O)c3ccco3)CC2)CCC[C@H]1C 106542437 QOOHUKVHBDGWEH-PMPSAXMXSA-N 347.459 1.978 0 40 EDAB C[C@]1(O)CCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 179250366 XZWJXFQRODVJCF-NSHDSACASA-N 327.299 1.990 0 40 EDAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1CCCC1 61721658 WPJSRCQBSGJJNM-AWEZNQCLSA-N 345.447 1.361 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)n3cccn3)cn2)C[C@@H](C)O1 106566678 MFGBRBCHTOVXLM-ZNMIVQPWSA-N 343.431 1.769 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)N1CCO[C@@H]2CCCC[C@@H]21 106782985 MXNLQVWZXUIHNS-YESZJQIVSA-N 347.463 1.160 0 40 EDAB Cc1cccc(C(=O)NCCN2CCN(c3ncccn3)CC2)c1 57061868 OYAQFAHNMMYBDW-UHFFFAOYSA-N 325.416 1.337 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)NCCOc2ccc3c(c2)CCC3)C1 56008985 GLHNGYILOFLWFG-KRWDZBQOSA-N 330.428 1.929 0 40 EDAB CCCNC(=O)CSc1nc2ccsc2c(=O)n1CCOC 57425842 RVYMLDFDYQTBRN-UHFFFAOYSA-N 341.458 1.723 0 40 EDAB C[C@@H](NC(=O)[C@@H]1COCCO1)c1ccc(NC(=O)NC2CC2)cc1 44627989 IFAUYYMARIVNLE-ABAIWWIYSA-N 333.388 1.563 0 40 EDAB Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCC(=O)NC(N)=O 58223068 WMQQMYXPHJYTRR-GFCCVEGCSA-N 332.404 1.616 0 40 EDAB COc1ccc(NC(=O)NCc2ccc(CS(C)(=O)=O)cc2)cn1 44973409 ZPTGKVPEHXRMGU-UHFFFAOYSA-N 349.412 1.957 0 40 EDAB COc1ccccc1CC(=O)NCCCNC(=O)c1cccc(O)c1 58332957 HCNACGXISXFFFZ-UHFFFAOYSA-N 342.395 1.880 0 40 EDAB C[C@H]1CN(c2ccc(C(=O)N[C@H](C)[C@@H]3CCCO3)cn2)C[C@@H](C)O1 27907979 GEOPRJQWBPARQY-CTASWTNQSA-N 333.432 1.993 0 40 EDAB CNC(=O)[C@@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1 58407072 DDESPRZARBSGCQ-INIZCTEOSA-N 335.367 1.484 0 40 EDAB CSc1nnc(S[C@H](C)C(=O)Nc2cccnc2Cl)n1N 10677329 JBEDWUYXQWDMCZ-ZCFIWIBFSA-N 344.853 1.882 0 40 EDAB CNC(=O)CN1CCN(Cc2nc(-c3cccs3)cs2)CC1 22631191 HEUPWYIVYKYBEJ-UHFFFAOYSA-N 336.486 1.735 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 48263504 BOOROFGSYOKECZ-KGLIPLIRSA-N 332.400 1.686 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC=C(c2ccc(O)cc2)CC1 48272563 LMLHTHLQUARQEQ-CQSZACIVSA-N 336.413 1.378 0 40 EDAB C[C@@H](c1ccccc1)N(C)C(=O)Cn1nnn(-c2ccccc2)c1=O 12908486 JNKYIWDYUBHLEX-AWEZNQCLSA-N 337.383 1.649 0 40 EDAB COc1ccc(-n2nnnc2SCC(=O)NC[C@H]2CCCO2)cc1 3501828 VKTYNHMULSNRJB-CYBMUJFWSA-N 349.416 1.058 0 40 EDAB COCCN1CCN(CC(=O)NC[C@@H]2CCCc3ccccc32)CC1 69654065 ZXROQPYVLXNNHB-SFHVURJKSA-N 345.487 1.487 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NS(=O)(=O)c1ccc(CC(C)C)cc1 69654717 PVJJNPMJGDANRV-UHFFFAOYSA-N 336.417 1.816 0 40 EDAB CCC[C@H](C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 69770352 SNJOGCCRVYETOB-AWEZNQCLSA-N 333.436 1.068 0 40 EDAB COCCNC(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 69717639 CGVLKCOJBUJSSF-UHFFFAOYSA-N 327.331 1.079 0 40 EDAB CCc1sc(C(=O)N2CCC(S(=O)(=O)NC)CC2)cc1C 69842078 FLAHXOMJQGTRMB-UHFFFAOYSA-N 330.475 1.773 0 40 EDAB C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(c3ccccn3)CC1)CS2 49934831 MIOBTANBGLLLPO-GUYCJALGSA-N 346.456 1.184 0 40 EDAB COc1cccc(CCNC(=O)c2cc3n(n2)CCCNC3)c1OC 65376257 BPAGVQBBEGFJST-UHFFFAOYSA-N 344.415 1.366 0 40 EDAB C[C@@H](NC(=O)CNC[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1 69873322 QJUZWNOIIQJOLH-IUODEOHRSA-N 325.840 1.437 0 40 EDAB CCC(CC)[C@H](CNC(=O)NCc1nnc2n1CCC2)N1CCCC1 65400232 DTVWLFQESJPKMD-HNNXBMFYSA-N 348.495 1.924 0 40 EDAB Cc1cccn2c(CNC(=O)[C@H]3CC(=O)N(CC(C)C)C3)cnc12 65404392 DSYNTJOLGHINLI-AWEZNQCLSA-N 328.416 1.763 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)CCCc2nc(-c3ccccc3)no2)C1 65474822 WSUDMIHCVXYLBL-CYBMUJFWSA-N 328.372 1.393 0 40 EDAB Cc1csc(N2CCN(CC(=O)Nc3cccnc3)C[C@@H]2C)n1 69951238 NCXMIMQOODOZPU-ZDUSSCGKSA-N 331.445 1.996 0 40 EDAB NC(=O)[C@@H]1COCCN1Cc1cccc(OCc2ccccc2)c1 92229046 FPNAIONXEKWDEF-SFHVURJKSA-N 326.396 1.952 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)c2cc(C3CC3)[nH]n2)c1 65539145 FPQNSGNKFKLOOQ-UHFFFAOYSA-N 348.428 1.266 0 40 EDAB NC(=O)Cn1cc(NC(=O)N[C@@H]2CCSc3ccccc32)cn1 65552664 PJIGXDUEBHLYSL-GFCCVEGCSA-N 331.401 1.727 0 40 EDAB C[C@@H]1CCCN(C(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)C1 8709033 PDDPAHONWIKOMA-CYBMUJFWSA-N 346.456 1.970 0 40 EDAB O=S1(=O)N=C(N2CCN(c3ccccn3)CC2)c2ccccc21 6935781 CEWSYVHKLSBNOQ-UHFFFAOYSA-N 328.397 1.353 0 40 EDAB C[C@H]1CN(C(=O)CSc2nncn2-c2ccccc2)C[C@@H](C)O1 15187302 IDVSYXBYGPVWGL-BETUJISGSA-N 332.429 1.995 0 40 EDAB CCNC(=O)N1CCN(C(=O)Cc2cccc3cccnc23)CC1 67510794 KEHSBWHFHYVATH-UHFFFAOYSA-N 326.400 1.651 0 40 EDAB O=C(CNC(=O)c1ccco1)NC1CCN(Cc2ccccc2)CC1 15564662 SPFHJLSZIPXNKU-UHFFFAOYSA-N 341.411 1.790 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1 68544681 SHOYRBVUVYGQSN-VXGBXAGGSA-N 330.392 1.692 0 40 EDAB CC1(C)CC(NC(=S)NCCN2CCOCC2)CC(C)(C)N1 16216454 PQVBZCNSWWNZEE-UHFFFAOYSA-N 328.526 1.092 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CSc1nnnn1-c1cccc(F)c1 8038331 NLDYEGZYWDBJGT-UHFFFAOYSA-N 347.379 1.872 0 40 EDAB C[C@@H](OC(=O)CNC(=O)C1CCCCC1)C(=O)NCc1ccccc1 8277760 MQYCTLALQPEFSP-CQSZACIVSA-N 346.427 1.931 0 40 EDAB C[C@H](c1ccccc1F)n1cc(C(=O)NCCN2CCOCC2)nn1 20027269 IYEOJMVQILSHJZ-CYBMUJFWSA-N 347.394 1.089 0 40 EDAB C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCCC[C@@H]1CC(N)=O 71903866 QCWOKMCGEGJCEK-GXTWGEPZSA-N 332.404 1.453 0 40 EDAB CC(C)[C@@H](NC1CCOCC1)C(=O)NCCCOC[C@H]1CCCO1 71916785 ZTVRJUBWFXXXCS-IAGOWNOFSA-N 342.480 1.482 0 40 EDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCc3[nH]ncc3C2)cc1 96430554 STBGTMKXXYYGEP-KRWDZBQOSA-N 338.411 1.794 0 40 EDAB NC(=O)[C@H](CNC(=O)c1noc2c1CCCC2)Cc1ccc(F)cc1 71841496 WQJCGNBWXJQEFV-LBPRGKRZSA-N 345.374 1.767 0 40 EDAB Cc1cn2nc(N(C)[C@@H]3CCCN(Cc4noc(C)n4)C3)sc2n1 71859527 PHENIBDKORGXNM-GFCCVEGCSA-N 347.448 1.891 0 40 EDAB COc1ccc([C@H](CNC(=O)N[C@H](C)Cn2cccn2)N(C)C)cc1 89904366 GYDTUFJTAJJEMD-PBHICJAKSA-N 345.447 1.882 0 40 EDAB Cc1cc(Br)ccc1C(=O)N1CC[C@H](S(N)(=O)=O)C1 84090001 KIIVYPAOCUFJIF-JTQLQIEISA-N 347.234 1.261 0 40 EDAB Cc1ccsc1CN(C)CCNS(=O)(=O)c1cnn(C)c1 76089552 NLLXKVSGIPDKPP-UHFFFAOYSA-N 328.463 1.200 0 40 EDAB Cc1cc(NC(=O)CN2CCn3c(nnc3-c3ccccc3)C2)no1 76090142 IQDHCIZKORDXRX-UHFFFAOYSA-N 338.371 1.696 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1nc(-c3ccsc3)no1)CC2 76064391 ZCRJAESGAICVBO-UHFFFAOYSA-N 343.412 1.933 0 40 EDAB O=C(NCCN1CCCS1(=O)=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 84137207 OMXLXOVRYKHDEP-MNOVXSKESA-N 342.383 1.507 0 40 EDAB O=C(NCCCC(=O)N1Cc2ccccc2C1)NC[C@@H]1CCCO1 72278025 PJAMDWNIUDMJPS-INIZCTEOSA-N 331.416 1.787 0 40 EDAB C[C@H](COCC(F)(F)F)Nc1cc(N2CCC[C@@H]2CO)ncn1 72276199 YWSPNGRUWCVWMD-GHMZBOCLSA-N 334.342 1.817 0 40 EDAB CN1CC[C@@H](C(=O)OCC2CCN(CC(F)(F)F)CC2)CC1=O 76020326 VBIIGDDDNQADDI-GFCCVEGCSA-N 336.354 1.672 0 40 EDAB Cc1ccn2ncc(C(=O)NCCc3nc(-c4ccccc4)n[nH]3)c2n1 97162807 OAQCABSXVNZJHM-UHFFFAOYSA-N 347.382 1.795 0 40 EDAB O=C(O)[C@H](CCC(F)(F)F)NS(=O)(=O)Cc1ccccc1 97101852 GLQAFGAYLZQIMV-JTQLQIEISA-N 325.308 1.902 0 40 EDAB CCOc1cccc(CN[C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)c1 72300595 VIBYRHWVVVTOQQ-BBRMVZONSA-N 326.462 1.845 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@H](O)COc1ccc(F)cc1)CC2 97202494 CSEPJURPSCQUEE-AWEZNQCLSA-N 346.406 1.480 0 40 EDAB CCC(CO)(CO)NC(=O)c1cnn(-c2cc(C)ccc2C)c1C 97376846 DLYCRGJAZABTNA-UHFFFAOYSA-N 331.416 1.661 0 40 EDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC[C@@H]1CCOC1 78710575 KMATXOUNVJPJGW-ZDUSSCGKSA-N 338.429 1.437 0 40 EDAB COc1cccc(/C=C/C(=O)N2CCOC[C@H]2c2noc(C)n2)c1 95468254 JREWGKDBHXMKJT-LFAOLKIESA-N 329.356 2.000 0 40 EDAB CCn1cc(S(=O)(=O)NC[C@@]2(O)CCCc3ccccc32)cn1 95433032 ZJZGCAPDLUBQNQ-INIZCTEOSA-N 335.429 1.405 0 40 EDAB Cn1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)s3)CC2)cn1 95428421 INMHSOSJCAGWMA-UHFFFAOYSA-N 348.476 1.968 0 40 EDAB C[C@H](Nc1nccn2nnnc12)[C@H](O)c1ccc(Br)cc1 95407601 WBZFWAZDJUPQNY-KWQFWETISA-N 349.192 1.816 0 40 EDAB CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc4nnnn4c3)cc21 79097124 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334.353 1.721 0 40 EDAB CN1CCN([C@@H](C(=O)O)c2c(C(=O)O)n(C)c3ccccc23)CC1 36365421 PHKRKUXIAJCNNC-OAHLLOKOSA-N 331.372 1.250 0 40 EDAB NC(=O)CN1CCN(CCCc2ccccc2Br)CC1 181521140 DKYIFMJZPACEJW-UHFFFAOYSA-N 340.265 1.485 0 40 EDAB CC(=O)Nc1ccc(CCNC(=O)c2c(C)c(C)nn(C)c2=O)cc1 78417961 XPKPKSOVCHHITF-UHFFFAOYSA-N 342.399 1.328 0 40 EDAB COC(=O)[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(C)C 49544337 CUXDLXDFIZCKAD-KRWDZBQOSA-N 343.383 1.224 0 40 EDAB COc1ccccc1NC(=O)Nc1cnc(N2CCN(C)CC2)nc1 224267060 SKVBJBNAFATWAA-UHFFFAOYSA-N 342.403 1.881 0 40 EDAB Cc1nc([C@@H]2CN(C(=O)[C@@H](C)n3cnc4ccccc43)CCO2)n[nH]1 329103700 CGAKHNFYKXGSBG-ABAIWWIYSA-N 340.387 1.624 0 40 EDAB Cc1cnc2c(c1)N(C(=O)c1cn(CC3(C)COC3)nn1)CCO2 329504549 IIIYFQJEBXPEGT-UHFFFAOYSA-N 329.360 1.057 0 40 EDAB COc1c(C)cnc(CN(C)C(=O)NC[C@@H]2CNCCCO2)c1C 569794769 GVQWOVYLTLFDKK-AWEZNQCLSA-N 336.436 1.227 0 40 EDAB Cc1ccc(N2CC(Nc3ccc(S(N)(=O)=O)cc3)=CC2=O)cc1 227163167 RMBHMYWGNGCUDI-UHFFFAOYSA-N 343.408 1.985 0 40 EDAB O=C1NC(=S)NC(=O)C1[C@H](NC1CCCCC1)c1ccccc1 223812592 UXIADGDMGDTMFX-CQSZACIVSA-N 331.441 1.797 0 40 EDAB CCS(=O)(=O)N1CC[C@H](Oc2ncc(Br)cn2)C1 606440899 PCTYEAHTCANQTI-VIFPVBQESA-N 336.211 1.042 0 40 EDAB COc1cccc(OC)c1CC(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1579285195 ZMBWTWLYIAOBQB-DNVCBOLYSA-N 326.396 1.987 0 40 EDAB CN(C)C(=O)N1CCN(C(=O)Cc2cc(F)c(F)cc2F)CC1 134943635 DXAJQTRLHGPEOT-UHFFFAOYSA-N 329.322 1.472 0 40 EDAB CC[C@H](NC(=O)Cn1ncn(C)c1=O)c1ccc2c(c1)CC(C)(C)O2 225560646 ZXMPYEQHDLNANX-AWEZNQCLSA-N 344.415 1.563 0 40 EDAB NS(=O)(=O)c1ccc(NC2=CC(=O)N(c3ccccc3)C2)cc1 227163528 WBCQQFXKUBYAGA-UHFFFAOYSA-N 329.381 1.677 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1C 224239795 DOHDPPINIPEJLG-UHFFFAOYSA-N 334.445 1.946 0 40 EDAB CC(C)Nc1ccnc([C@@H]2COCCN2C(=O)c2cnccn2)n1 96216076 HQUIRRHIWOZOJR-ZDUSSCGKSA-N 328.376 1.301 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)c1ccc(C(F)(F)F)cn1)CC2 97198229 KSDGKTMKZLVBJF-SNVBAGLBSA-N 339.321 1.999 0 40 EDAB Cc1occc1C(=O)N1CCC2(CC1)NC(=O)C[C@H]2c1cnn(C)c1 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Cc1ccn(CCC(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)n1 257201888 AJMZNYQNRDTLBB-INIZCTEOSA-N 343.431 1.643 0 40 EDAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCCN(CC(N)=O)[C@@H]3C[C@H]21 257320120 VVLKFFJPBHULAP-SMKXDYDZSA-N 346.427 1.959 0 40 EDAB CCCn1ccc(C(=O)N2CCO[C@H](c3cc(O)nc(C)n3)C2)n1 257302425 SCXMSDNOJJQEQH-AWEZNQCLSA-N 331.376 1.311 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CCN1C 257208150 BKYNVQIURCNHQF-QGZVFWFLSA-N 342.443 1.379 0 40 EDAB Cc1cccc(C(=O)N2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)n1 257253455 JYZYHMDDHMAAEQ-HNNXBMFYSA-N 329.404 1.388 0 40 EDAB CN(C(=O)CN1CCCCCCC1=O)c1ccc(OCC(=O)O)cc1 262998853 KOXUIJUNTZQRBV-UHFFFAOYSA-N 348.399 1.906 0 40 EDAB COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)CC(=O)O)c1 263094789 DYWWULQPIOZCCU-UHFFFAOYSA-N 327.280 1.419 0 40 EDAB O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCC[C@H](c2ncc[nH]2)C1 270071587 OEHNUANUIRUIOS-LSDHHAIUSA-N 340.431 1.973 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)[C@]2(N(C)C)COc3ccccc3C2)C1 1616040275 CWXLHOJCXMKHGZ-QFBILLFUSA-N 345.443 1.049 0 40 EDAB CSC1(CNS(=O)(=O)c2cc(C(=O)O)oc2Cl)CC1 1616035118 RMMINEFQZAIKFT-UHFFFAOYSA-N 325.795 1.805 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccnc1 575402394 CFKHSLCZMNNVTD-KBMXLJTQSA-N 343.427 1.475 0 40 EDAB CN(C)CCN(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 575420878 KQJKBBIEPDBBPW-OAHLLOKOSA-N 330.881 1.891 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)C3CCC3)C[C@@H]21)c1ccsc1 575405811 UXXBNLVPCMDQRY-RBSFLKMASA-N 334.441 1.751 0 40 EDAB CC(=O)c1sc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)nc1C 575424142 SSUIFAYZDNUPIZ-SECBINFHSA-N 331.419 1.210 0 40 EDAB CCOC(=O)c1cc(CNCc2nncn2-c2ccccc2)on1 585141039 OBKUYTKIDBFHAW-UHFFFAOYSA-N 327.344 1.722 0 40 EDAB C[C@@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)C1CCC1 585097374 JUFLSJKPSRTOKU-GFCCVEGCSA-N 330.432 1.798 0 40 EDAB Cc1ccccc1OC[C@]1(O)COCCN(C(=O)c2ccon2)C1 585275812 JWHRPVFATZRDCG-QGZVFWFLSA-N 332.356 1.266 0 40 EDAB Cc1cc(CNC(=O)N2CCC(N3CCNC3=O)CC2)ccc1F 56367620 JNDDGECZWZSZOD-UHFFFAOYSA-N 334.395 1.833 0 40 EDAB CCN(CC)CC1CCN(C(=O)c2nc3nc(C)cc(C)n3n2)CC1 49079522 NRGODKGOJFZIEC-UHFFFAOYSA-N 344.463 1.935 0 40 EDAB CC[C@@](C)(NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)C(=O)OC 65610152 PFJRHUZBHAZREF-GOSISDBHSA-N 349.383 1.879 0 40 EDAB COc1ccnc(N2CCN(C(=O)CCOc3ccccc3)CC2)n1 57253837 OOPZCWOONXNRKI-UHFFFAOYSA-N 342.399 1.603 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@H]1COC(=O)[C@H]1CCC(=O)NC1 69946366 WAUIQSWMQQHREE-STQMWFEESA-N 340.420 1.845 0 40 EDAB C[C@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H](c2ccccc2)O1 67879271 JWGPRVRFJUBPRF-DZGCQCFKSA-N 326.418 1.025 0 40 EDAB O=C(NCc1ccc(N2CCCCC2)nc1)N[C@H]1CCCNC1=O 69536573 GQDAEUOSLLHYIH-AWEZNQCLSA-N 331.420 1.150 0 40 EDAB Cc1nn(C)c(C)c1C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 84008643 KKKGLRCOCMUDQO-UHFFFAOYSA-N 335.477 1.676 0 40 EDAB Cn1cc(C(=O)N2CCC(COc3cc(C4CC4)ncn3)CC2)nn1 1565522627 LTICJXGQHFKBOJ-UHFFFAOYSA-N 342.403 1.414 0 40 EDAB O=C1NCCN1C1CCN(C[C@H](O)COCc2ccccc2)CC1 69414558 ONBUEGVXAKIJLJ-KRWDZBQOSA-N 333.432 1.054 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)[C@H]2CNC(=O)c3ccccc32)C[C@H]1C1CC1 600080529 DAVXSANAAARQLV-HRCADAONSA-N 342.395 1.171 0 40 EDAB O=C(c1ccccc1)c1c(CO[N+](=O)[O-])[n+]([O-])c2ccccc2[n+]1[O-] 5760249 JIRWQZBOYAFFQA-UHFFFAOYSA-N 341.279 1.046 0 40 EDAB CC(C)c1ccc(N(CC(=O)NCCN(C)C)S(C)(=O)=O)cc1 13672677 QHZQHSXSRCNQBO-UHFFFAOYSA-N 341.477 1.254 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)[C@H]4C[C@@H]4C)[C@H]3C2)cc1 19211707 JISCTOQYRNRPJY-KUHBDSFDSA-N 348.468 1.776 0 40 EDAB Cc1cccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCNC4)C2)c1 19234629 GMIUEWVFFNYFPA-MRXNPFEDSA-N 336.439 1.989 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H]1CC[C@H](C(=O)O)CC1 101475798 XEQZHLKEDGIYEG-TXEJJXNPSA-N 343.383 1.473 0 40 EDAB Cn1c(C(=O)N2CCC(CS(N)(=O)=O)CC2)cc2ccccc21 103951084 YABYBWQUGCECHA-UHFFFAOYSA-N 335.429 1.319 0 40 EDAB CCN(C)C(=O)CCN(C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 583620150 HOZAHEMSHYGULS-MAUKXSAKSA-N 335.496 1.603 0 40 EDAB Cn1nnnc1-c1cccc(NCC(=O)N2CCc3ccccc32)c1 30588110 PNGQWLOIXIVOLA-UHFFFAOYSA-N 334.383 1.878 0 40 EDAB CC(C)(C)OC(=O)N[C@H]1C[C@@H]2COC[C@H](C1)[C@H]2NCc1cc[nH]n1 584908887 OYQQQWUVWWOAAZ-AIXYUVMFSA-N 336.436 1.818 0 40 EDAB O=C(NCC1CC1)[C@@H]1C[C@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]1O2 1565554873 IIIBXSJSPXFGLB-YNEHKIRRSA-N 328.359 1.174 0 40 EDAB O=C(c1cc[nH]c1)N1CCCn2ncc(C(=O)N3CCCC3)c2C1 1565544864 AAMSVNGYHILZGR-UHFFFAOYSA-N 327.388 1.493 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2ccc(C)c(C)c2)C1 2055771728 SMQRFCRCKAJZCM-IBGZPJMESA-N 340.427 1.877 0 40 EDAB c1ccc2c(c1)nnn2CN1CCN(Cn2nnc3ccccc32)CC1 19536777 GHFMAGIVRSVEJW-UHFFFAOYSA-N 348.414 1.409 0 40 EDAB CCCn1c(S)nc2cc(C(=O)NCCN(C)C)ccc2c1=O 20645253 GKMNFFWRJXYIGT-UHFFFAOYSA-N 334.445 1.387 0 40 EDAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc2ccccc2n1 100884882 SVLWIPPGQKBCSI-GVAFMPQTSA-N 333.347 1.687 0 40 EDAB COc1ccccc1OCC(=O)N1CC[C@H](Oc2ccnc(C)n2)C1 575612718 LTTWWLFJJYQPJA-AWEZNQCLSA-N 343.383 1.852 0 40 EDAB CC(=O)OC(C)(C)C(=O)N1CCC[C@@H](Oc2nc(C)cc(C)n2)C1 585147338 RXYCCHXIVGMKEG-CQSZACIVSA-N 335.404 1.805 0 40 EDAB C[C@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)Cc1ccco1 206620871 SNCBITMCFSRTHA-QGZVFWFLSA-N 334.347 1.145 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H]2NC(=O)c3ccc(C(=O)O)cc3[C@H]2C1 97758993 XVULRVLHAAESPW-CHWSQXEVSA-N 332.356 1.831 0 40 EDAB O=C(CSCc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1 20031274 CTJUNFQUAFQZQD-UHFFFAOYSA-N 325.777 1.589 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cncc(Br)c1 40497120 ONBDWSUKSXBUTM-QMMMGPOBSA-N 333.207 1.009 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)c2ccc[nH]c2=O)Oc2ccccc21 40476621 ZBKFPFFGGZPADL-CYBMUJFWSA-N 327.384 1.734 0 40 EDAB Cc1cc(CN2CCN(CC(=O)Nc3nc(C)c(C)s3)CC2)on1 40484969 LENOBJFDBJOJBB-UHFFFAOYSA-N 349.460 1.813 0 40 EDAB CC(C)[C@H](C)NC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)o1 8261950 VOGIQXJLMVTGRR-UWVGGRQHSA-N 347.462 1.225 0 40 EDAB O=C(NCCc1cccs1)[C@H]1CC(=O)N(Cc2ccccn2)C1 31601959 NRQCTAGDGLKIOH-ZDUSSCGKSA-N 329.425 1.851 0 40 EDAB COc1ncccc1CNC(=O)N1CCN(Cc2cc(C)no2)CC1 45657482 NDOPJTQBLHRERG-UHFFFAOYSA-N 345.403 1.414 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)c3c(C)noc3C)CC2)n1 69518186 SVAAXRBILGHCIX-UHFFFAOYSA-N 331.376 1.443 0 40 EDAB CN(CCCNC(=O)c1ccc(-n2cccc2)cc1)S(C)(=O)=O 40515412 JZOHQKHBJPRIEW-UHFFFAOYSA-N 335.429 1.489 0 40 EDAB Cc1noc(-c2ccc(C(=O)NC[C@H](C)N3CCOCC3)cc2)n1 40509826 MJAFFCCWGHBTNL-LBPRGKRZSA-N 330.388 1.496 0 40 EDAB O=C(COc1ccc(Br)cc1)O[C@H]1CCS(=O)(=O)C1 3211193 ZNRIOANQHTVOPZ-NSHDSACASA-N 349.202 1.558 0 40 EDAB CCNc1nc(NCC)nc(NS(=O)(=O)c2ccc(C)cc2)n1 246545 OQJUFGKPIKYYHA-UHFFFAOYSA-N 336.421 1.844 0 40 EDAB CCOCCCNC(=O)NC(=O)CSc1nc2ccccc2[nH]1 6649285 SPNORSQWNFYBFK-UHFFFAOYSA-N 336.417 1.907 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccc(Cn2ccccc2=O)o1 69347260 ZFFLSVGIVKAITD-CYBMUJFWSA-N 338.367 1.431 0 40 EDAB CNC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 83881779 GTFQVSXOFYNZER-LLVKDONJSA-N 348.262 1.789 0 40 EDAB CCOc1cc(CNc2nn[nH]n2)cc(Br)c1OC 8253633 MPCBTEYXGATDFP-UHFFFAOYSA-N 328.170 1.982 0 40 EDAB Cc1c(C(=O)N2CCC(C(N)=O)CC2)cnn1-c1ccc(F)cc1F 32656130 SCKCNZHTKHHQFQ-UHFFFAOYSA-N 348.353 1.796 0 40 EDAB CCOC(=O)C1(O)CCN(C(=O)Cn2cc(C)c3ccccc32)CC1 71916624 UADATYZOOUYENF-UHFFFAOYSA-N 344.411 1.866 0 40 EDAB CCc1cc(CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)[nH]n1 71900352 XTNVJNYCSDWHPI-UHFFFAOYSA-N 333.436 1.516 0 40 EDAB CN(CC(=O)NCc1nnc2n1CCCCC2)C(=O)c1cccs1 46163701 ZXIHVLNHZXGMRB-UHFFFAOYSA-N 347.444 1.454 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)NC1CCCCCC1 100466692 QJCXTFPFAWZWOQ-ZJMHZOEWSA-N 342.439 1.879 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCC2(C(N)=O)CCOCC2)c(C)c1 32913457 FSLTYIIHTDTZBA-UHFFFAOYSA-N 340.445 1.172 0 40 EDAB CCn1cnnc1CNC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 41369111 RUQCRINVIXLEKC-SNVBAGLBSA-N 344.375 1.189 0 40 EDAB COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(C)C1 20464195 YXLFHFXGKGWANN-STQMWFEESA-N 331.376 1.030 0 40 EDAB biogenic,in-vitro Cc1cc(CN(C)C(=O)NCc2ccc(S(C)(=O)=O)cc2)no1 46922461 POXPESSRATWGMC-UHFFFAOYSA-N 337.401 1.728 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@H](c2ccc(Cl)cc2)N1 12345663 ZWMSNEVBNKGRGL-DOMZBBRYSA-N 347.802 1.969 0 40 EDAB O=C(O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 17068238 UZUVKOGEOANYGH-QWHCGFSZSA-N 332.356 1.231 0 40 EDAB Cn1ccnc1C(=O)c1ccc(NC(=O)CN2CSCC2=O)cc1 23270344 GXVNWKUSWRICMV-UHFFFAOYSA-N 344.396 1.123 0 40 EDAB O=C(CCn1cnc2ncccc2c1=O)NC(=O)Nc1ccccc1 23400523 ULWCZRWYGVUDAO-UHFFFAOYSA-N 337.339 1.530 0 40 EDAB NC(=O)NCc1ccc(C(=O)OCC(=O)NC(C2CC2)C2CC2)cc1 24332767 VYKGGFZXWCSAQP-UHFFFAOYSA-N 345.399 1.317 0 40 EDAB O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1cccc2ccccc12 1280847 HKONCURZDBBIBL-UHFFFAOYSA-N 328.353 1.342 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C(=O)O)c2cccs2)cc1 1397930 ZMUCAKLAFOAICA-LBPRGKRZSA-N 327.383 1.861 0 40 EDAB COCCCN(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 106555322 ZMPRALAXNCSHFD-YHUYYLMFSA-N 343.489 1.865 0 40 EDAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)cn1 69454914 SHWWEEFZLAFSQK-UHFFFAOYSA-N 335.367 1.944 0 40 EDAB NC(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 106801460 LRYIAPJWBQSNLL-QRTARXTBSA-N 327.428 1.870 0 40 EDAB CC(C)NC(=O)CNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C 26098089 SVEVUPNJMJKJDQ-OAHLLOKOSA-N 337.395 1.221 0 40 EDAB CC1(C)C[C@@H](NC(=O)CCCn2nnc3ccccc3c2=O)CCO1 71287176 CIDSIBGCGXRVIJ-ZDUSSCGKSA-N 344.415 1.646 0 40 EDAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2CCCO2)C1 57418563 GCWQYIWIJKRKFL-GJZGRUSLSA-N 346.431 1.929 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCN(C)C(=O)C1)CC2 44305674 YBCSJPBTSDGCFZ-CYBMUJFWSA-N 332.400 1.457 0 40 EDAB CCOc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2)cc1 65225019 PZXSVOPKOKKJDD-UHFFFAOYSA-N 328.372 1.964 0 40 EDAB CCOC(=O)[C@H]1CCCCN1C(=O)C1CCN(c2ncccn2)CC1 58156473 ZHOBPORPUZNAQL-OAHLLOKOSA-N 346.431 1.637 0 40 EDAB CCOc1cc2c(cc1CNC(=O)NCCNC(C)=O)O[C@H](C)C2 44892537 FXPXPEGHCQWIIN-LLVKDONJSA-N 335.404 1.344 0 40 EDAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(c2cnccn2)CC1 27633657 AMMKVNFODIUKAQ-LBPRGKRZSA-N 346.822 1.674 0 40 EDAB C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1ccc(-n2cccn2)nc1 58296197 KPJFEFVLXNJBEP-GDBMZVCRSA-N 344.415 1.858 0 40 EDAB CC(=O)NCC1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1 44953076 NPAQBGJNQCSHTM-UHFFFAOYSA-N 338.429 1.078 0 40 EDAB CNC(=O)c1cccc(CNC(=O)NCCc2csc(C)n2)c1 44953697 AYPAAKFIHKIGKO-UHFFFAOYSA-N 332.429 1.853 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCO[C@H]2CCCC[C@@H]21 44969854 UDSAMWWMENPDIM-HOTGVXAUSA-N 327.384 1.567 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)C1 58306565 PLCJEGRVXGQEST-SNVBAGLBSA-N 332.809 1.199 0 40 EDAB C[C@H]1CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)O1 58343394 NOJQPJPPMSJHBK-STQMWFEESA-N 343.383 1.707 0 40 EDAB COc1cccc2c1OCC(C(=O)N[C@@]1(C)CCS(=O)(=O)C1)=C2 58393199 VULNZRCKSBGGJC-INIZCTEOSA-N 337.397 1.164 0 40 EDAB Cc1noc(CCCNC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1 58329949 NKJNHEGMOYSQOW-UHFFFAOYSA-N 344.293 1.308 0 40 EDAB Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c2c(=O)[nH]n(C)c2n1 58380203 VKLDULLMPNFIEJ-CHWSQXEVSA-N 330.388 1.354 0 40 EDAB COc1ccc(OC)c(CNS(=O)(=O)c2ncn(C)c2Cl)c1 27971929 FJOQAOZTGGCEOG-UHFFFAOYSA-N 345.808 1.569 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1ncnc2c1cnn2C 45026463 WWUOWVIYIPGJMS-SNVBAGLBSA-N 346.416 1.208 0 40 EDAB CN(C)c1cc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)ccn1 48300357 ZVFWXTYBHFKWRF-DOTOQJQBSA-N 326.400 1.605 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1C 48300844 NKZMCGSQOFHTRQ-JQWIXIFHSA-N 340.449 1.161 0 40 EDAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCc1ccccc1 12890736 VPNXGDHJVDVSCA-FQEVSTJZSA-N 349.390 1.912 0 40 EDAB Cc1cc(F)ccc1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 3456609 BDBPGDISPZXLOK-UHFFFAOYSA-N 327.315 1.776 0 40 EDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cccnc1Cl 3408308 GQVIJNBCHWFWRK-UHFFFAOYSA-N 339.760 1.691 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1Cc2ccccc2O1 12983599 CSYWANLSEXPSGC-OAHLLOKOSA-N 348.380 1.285 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1nc(C3CC3)n(-c3ccccc3)n1)C2 69654920 KMQFMUMOHWPPJY-UHFFFAOYSA-N 349.398 1.701 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N(CCN(C)C)Cc2ccccn2)C1 69627952 XFFFXVIUKOVHTL-HNNXBMFYSA-N 340.493 1.422 0 40 EDAB C[C@@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)c2cnns2)C1 89894259 KBUQSCZXVSQRTD-GHMZBOCLSA-N 339.465 1.877 0 40 EDAB Cc1nc2n(n1)C[C@H](N[C@@H](C(=O)N1CCCC1)c1ccccc1)CC2 69654964 FUIPVCYPSKVUFT-SJLPKXTDSA-N 339.443 1.855 0 40 EDAB CC(C)(C)c1ncc(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)cn1 69740326 CQJBYBMOFJYELT-UHFFFAOYSA-N 348.428 1.603 0 40 EDAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(C)C2)c(C(F)(F)F)c1 69775936 NSARUFOAQYNFNL-SNVBAGLBSA-N 330.306 1.809 0 40 EDAB Cc1cnc(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)cn1 69978332 WUINOTFWQLNUHI-UHFFFAOYSA-N 346.337 1.661 0 40 EDAB CC1(C)S[C@@H]2[C@H](NC(=O)c3ccccc3F)C(=O)N2[C@H]1C(=O)O 6393241 KMEXQIYEMOCEMV-GBIKHYSHSA-N 338.360 1.071 0 40 EDAB C[C@@H](O)CN1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 69948964 LKGYPCIUQHFWKK-IEBWSBKVSA-N 345.487 1.739 0 40 EDAB Cn1cc(CCNC(=O)N2CCN(c3ccc(O)cc3)CC2)cn1 65406138 PRNAGZAEJIWIKJ-UHFFFAOYSA-N 329.404 1.200 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)C3CC(c4ccccc4)C3)CC2)N1 65490757 CTGQZBJUMVKWHQ-UHFFFAOYSA-N 327.384 1.381 0 40 EDAB CNC(=O)CCNC(=O)c1nn(-c2ccccc2C)c2c1CCC2 65537742 AHARFWRHVHKKRF-UHFFFAOYSA-N 326.400 1.535 0 40 EDAB CCN1C(=O)/C(=C/c2ccc(OC)c(COC(C)=O)c2)NC1=S 6401047 AIOCQCUXOUFTEA-JYRVWZFOSA-N 334.397 1.836 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CC=CCC1 65626136 QMKDAOUVUSWTIP-INIZCTEOSA-N 342.443 1.593 0 40 EDAB O=C(CN1CCC[C@@H](c2ccccc2)CC1)NCC(=O)N1CCCC1 65626125 BBKYPFBOWPEXFW-GOSISDBHSA-N 343.471 1.995 0 40 EDAB COC(=O)CN1C(=O)S/C(=C/c2cc(OC)ccc2OC)C1=O 4694727 SSDNVLCPLODHKZ-KPKJPENVSA-N 337.353 1.913 0 40 EDAB CC(=O)N1CCN(C(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 5505676 ZVPXEIAHCWBKSX-UHFFFAOYSA-N 349.500 1.768 0 40 EDAB COc1cc(SC)ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O 8756614 XMWBDZWGWIFAIM-JTQLQIEISA-N 327.358 1.465 0 40 EDAB COCC(C)(C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 66936451 KYZUAZYSMLUKOD-UHFFFAOYSA-N 335.447 1.102 0 40 EDAB O=C(NCCNC(=O)c1cc(Cl)ccc1Cl)c1cnccn1 4985286 OHJXKSXAUYVWRA-UHFFFAOYSA-N 339.182 1.943 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 7137075 NGHOBNSJZOSXFQ-WFASDCNBSA-N 329.400 1.775 0 40 EDAB Cn1ncnc1CNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 80158440 WQHLZCXXJOVREB-GFCCVEGCSA-N 334.811 1.547 0 40 EDAB COC(=O)c1ccccc1NC(=O)Cn1nnc(-c2cccs2)n1 15555154 XFOGPTODFMMSKS-UHFFFAOYSA-N 343.368 1.827 0 40 EDAB NC(=O)c1csc(CN2CCC[C@H](C(=O)NCC(F)(F)F)C2)c1 93683223 MDTPMOZIOQEWPT-VIFPVBQESA-N 349.378 1.738 0 40 EDAB O=C(CN1CCC(OC[C@H]2CCCO2)CC1)Nc1nccs1 83406217 OSWPGVNEEFBNPN-CYBMUJFWSA-N 325.434 1.742 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(N3CCOCC3)nc2)cn1 71796844 OZXZKTGNJNQADU-MRXNPFEDSA-N 341.415 1.629 0 40 EDAB COC(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1 26681235 PGFRCQXRBXCDPK-UHFFFAOYSA-N 348.428 1.428 0 40 EDAB CCOc1ccc(-c2noc(CCC(=O)N(C)CC(N)=O)n2)cc1 71829208 JPPSBOGWLNNGQG-UHFFFAOYSA-N 332.360 1.012 0 40 EDAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@H](N2CCNC2=O)C1 71830375 PGZRPUNGHYWKNT-AWEZNQCLSA-N 339.399 1.707 0 40 EDAB C[C@@H](C(=O)Nc1nccs1)N(C)C[C@@H]1CCCN1c1cccnn1 71860016 VJIFNAUHWKXQAO-STQMWFEESA-N 346.460 1.861 0 40 EDAB O=C(CN1CCC[C@H](N2CCNC2=O)C1)N1CCc2ccccc2C1 71830534 YTECYMFGMROXLE-KRWDZBQOSA-N 342.443 1.061 0 40 EDAB OCc1ccc(CNCc2cnc(N3CCOCC3)nc2)cc1F 71825349 XETLIFWJWAOJNF-UHFFFAOYSA-N 332.379 1.234 0 40 EDAB Cc1cc(C(=O)N2CCCN(CC(N)=O)CC2)c2ccc(F)cc2n1 71829318 PNWGHXJHULRTIA-UHFFFAOYSA-N 344.390 1.316 0 40 EDAB Cc1nnc(CN(C)CC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)n1C 72271069 VNYNYDLTZGEORC-NSHDSACASA-N 345.403 1.161 0 40 EDAB O=C(CCc1cc(F)ccc1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269418 CFUOIXXCTPLSSP-SJORKVTESA-N 338.398 1.955 0 40 EDAB C[C@H](NC(=O)CN1CCCN(Cc2noc(C3CC3)n2)CC1)C1CC1 72267453 DLMJFAOFXCBIJD-ZDUSSCGKSA-N 347.463 1.369 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)no1 72299042 UYAXJSUYRNLSKJ-GXTWGEPZSA-N 344.371 1.683 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c2cccnc12 97013355 XORGTOKCFCTOTN-CYBMUJFWSA-N 343.412 1.948 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)N[C@@H](c1ccccc1)C(F)(F)F 97032180 RYGCSGYQMBAEAS-LBPRGKRZSA-N 338.351 1.688 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)n1 76067930 CTKQOJKZILYUOP-HNNXBMFYSA-N 339.399 1.917 0 40 EDAB COCCn1nc(C)c(CNc2nc(C)nc3c2cnn3C)c1C 97160079 IYAMDFPFKXFZNI-UHFFFAOYSA-N 329.408 1.744 0 40 EDAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[C@@H]1CCc2nccn2C1 97197503 GUQPNQDFUFOPBY-HUUCEWRRSA-N 338.411 1.905 0 40 EDAB C[C@@H]1N=C(O)c2ccccc2N(CC(=O)NCc2ccco2)C1=O 72326062 ULCSOIYVNONDGK-NSHDSACASA-N 327.340 1.636 0 40 EDAB biogenic O=C(CCNC(=O)c1ccc2ccccc2c1)O[C@H]1CCOC1=O 84605819 FEMFZFGFHLFOSO-HNNXBMFYSA-N 327.336 1.818 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1sccc1-n1cnnn1 95395612 GGWORQGRBABZBR-MRVPVSSYSA-N 331.405 1.565 0 40 EDAB CCN1C[C@H](CN(C)C(=O)NC[C@@H]2COCCO2)Oc2ccccc21 84779949 GGAZKRMIDCLKSB-CABCVRRESA-N 349.431 1.331 0 40 EDAB COc1cccc(CNC(=O)N2CCC[C@@H](Cc3nccn3C)C2)n1 95424463 XAHGJBZCCDQHLX-AWEZNQCLSA-N 343.431 1.988 0 40 EDAB CN(C)c1nc(N)nc(CN2CCO[C@@]3(CCc4ccccc43)C2)n1 95435457 PVDNEEBNIAJPPQ-SFHVURJKSA-N 340.431 1.194 0 40 EDAB O=C(NCc1n[nH]c(=S)n1C1CC1)C1(O)Cc2ccccc2C1 73428362 GRVBMQIPPCCJIQ-UHFFFAOYSA-N 330.413 1.422 0 40 EDAB COc1nc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc2ccccc12 79085236 UDQRZUARKZKIRJ-YPMHNXCESA-N 327.384 1.969 0 40 EDAB COC(=O)c1ccc([C@@H]2c3c(cc(C)oc3=O)O[C@H]2C(=O)OC)cc1 85413654 CSVZLRFYXOSJBI-UKRRQHHQSA-N 344.319 1.801 0 40 EDAB Cc1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c2[nH]ncc2c1 89610699 YGDHRMAFAFDZQY-HOTGVXAUSA-N 328.416 1.543 0 40 EDAB Cn1cnc(C(=O)N2CC3(C2)OCC[C@@H]3COc2ncccc2F)c1 306129889 IPTBXGSTAYHQQS-GFCCVEGCSA-N 346.362 1.264 0 40 EDAB CCNC(=O)NC[C@H]1CC[C@@]2(COCCN(C3CCCC3)C2)O1 306140607 UYUFYXLZEQVKLE-NVXWUHKLSA-N 325.453 1.498 0 40 EDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(CCCc2nc(C)no2)C1 548664828 ASADPFAIUTUASA-INIZCTEOSA-N 349.460 1.813 0 40 EDAB C[C@@H]1CN(CCO)CCN1C(=O)c1ccc2nc(C(F)F)[nH]c2c1 516728125 SWFUWUVBKHTHOG-SNVBAGLBSA-N 338.358 1.639 0 40 EDAB COc1nc(C)ccc1CNc1cnn(C)c(=O)c1Br 79034975 QXRUPEPBAVIJQA-UHFFFAOYSA-N 339.193 1.867 0 40 EDAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C 217417858 FKAQQQMCDDAOMC-UHFFFAOYSA-N 344.433 1.910 0 40 EDAB CCOC(=O)c1c(SC)nn2c(=O)n(Nc3ccccc3)cnc12 6463852 RQWCFOPEVJNMFQ-UHFFFAOYSA-N 345.384 1.665 0 40 EDAB biogenic Cc1nc(CCC(=O)NCC(=O)O)cc([C@@H]2CCCN2C(C)C)n1 72366952 LCWYYHSXTODTQI-HNNXBMFYSA-N 334.420 1.464 0 40 EDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(C)=O)c1 32639801 QZORIMHNNZCJGA-KGLIPLIRSA-N 338.454 1.984 0 40 EDAB Cc1cnc(C(=O)N2[C@H]3CC[C@@H]2[C@]2(C3)NC(=O)c3ccccc3N2)cn1 72327452 PKVUSFNXLNWUNH-MOFZMDFASA-N 349.394 1.714 0 40 EDAB CCN1CCN(Cc2nc(CCCc3ccccc3)no2)C(=O)C1=O 78774569 QJWWOGPGLWWQTO-UHFFFAOYSA-N 342.399 1.436 0 40 EDAB COc1ccccc1OCCC(=O)NCCCCN1CCOCC1 48284766 JVRCXWOHGKWFMK-UHFFFAOYSA-N 336.432 1.693 0 40 EDAB O=C(/C=C\c1ccccc1F)NCc1nc(-c2cc[nH]c(=O)c2)no1 225802855 GSHIUUQXDXXIFT-WAYWQWQTSA-N 340.314 1.894 0 40 EDAB C[C@H](CNC(=O)[C@]12C[C@H]1CCCN2)c1ccc(S(C)(=O)=O)cc1 1576030541 YUZFBBYUUNOYNL-MRRJBJDNSA-N 336.457 1.452 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NCCSc1ncn[nH]1 223022890 UXKCSTCCIIRRIG-UHFFFAOYSA-N 332.382 1.023 0 40 EDAB CC1=C(C(=O)N[C@H](CO)Cc2ccccc2)[C@@H](C)n2ncnc2N1C 192611403 MNIGIKTZLXJCHN-HIFRSBDPSA-N 341.415 1.283 0 40 EDAB Cn1cccc1[C@@H](O)CNC(=O)C(=O)NCc1ccccc1Cl 75155155 UGDCUGKHZUUHHB-AWEZNQCLSA-N 335.791 1.145 0 40 EDAB CCN1CCC[C@@H](NC(=O)c2cn(CCc3ccccc3)nn2)C1 572232679 WKHWMFVUGZNLQJ-MRXNPFEDSA-N 327.432 1.735 0 40 EDAB Cc1cnc(N2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)nc1 96202252 GPZHVKPOEZKRJJ-GOSISDBHSA-N 325.416 1.913 0 40 EDAB O=C(c1ncccn1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96208845 QUHALILSOFOIOH-YOEHRIQHSA-N 326.356 1.324 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1cnn(C)c1)c1nnc2ccccn12 96461866 FHGAIGBCMLQAFP-ZDUSSCGKSA-N 334.405 1.138 0 40 EDAB Cn1cccc1C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 96063785 VFLWGKGFCWZLLK-DLBZAZTESA-N 340.427 1.536 0 40 EDAB CCn1c(CCC(N)=O)nnc1SCCc1scnc1C 95399214 WZBOLVUKQBIKFF-UHFFFAOYSA-N 325.463 1.816 0 40 EDAB COCCN1CCCN(C(=O)c2cccc(-c3noc(C)n3)c2)CC1 96423612 KCTMDQUJWUUTLI-UHFFFAOYSA-N 344.415 1.839 0 40 EDAB O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(C3CCC3)C[C@@H]2O1 97953837 BTXRBTOJMFXMLH-QGTPRVQTSA-N 329.444 1.772 0 40 EDAB Cn1cc(C(=O)NCc2nnc3n2CCCCC3)c(C2CCC2)n1 580065794 VTUVBNAYLLZHBP-UHFFFAOYSA-N 328.420 1.936 0 40 EDAB CN(CCc1cccs1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 96440409 MYPAWSPUWVFGCH-CYBMUJFWSA-N 333.461 1.944 0 40 EDAB Cn1cc(CNC(=O)NCCOc2ccc(C(F)(F)F)cn2)cn1 96473409 FZBWAKKUWUPERU-UHFFFAOYSA-N 343.309 1.712 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3ccco3)CC2)N1 96061462 AEIOPAQTHRCDQM-AWEZNQCLSA-N 325.368 1.953 0 40 EDAB O=C(NCc1ccccn1)[C@@]12CCO[C@@H]1CCN(c1ncccn1)C2 96064868 WYAGXKOMSPAOGS-CRAIPNDOSA-N 339.399 1.173 0 40 EDAB CCOC[C@H]1C[C@@]2(COCCN2S(=O)(=O)c2ccccc2)CO1 96240734 OOYXZXBMHKIFJH-GDBMZVCRSA-N 341.429 1.272 0 40 EDAB COc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(F)cc1 243843229 RCABADWUPXQCPI-UHFFFAOYSA-N 338.360 1.751 0 40 EDAB COCCNC(=O)[C@H]1CN(CCc2ccccc2)Cc2ncn(C)c21 248030923 LEBRIQXSYPSOBD-INIZCTEOSA-N 342.443 1.325 0 40 EDAB C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)O1 583622043 HAYXQZGSONJUEK-RQJABVFESA-N 336.436 1.673 0 40 EDAB Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN2Cc2ncc[nH]2)n1 257303948 SJLFBEBYGOOLCF-KRWDZBQOSA-N 328.420 1.721 0 40 EDAB CN1C(=O)C2(CCN(c3ncccn3)CC2)C[C@@H]1Cc1ccccn1 257247964 JBJONOMAQOYRPA-INIZCTEOSA-N 337.427 1.932 0 40 EDAB CCn1cc(C(=O)N(C)C[C@]2(O)CCN(c3ccc(F)cn3)C2)cn1 257283251 OXLPJIHYXKJOGK-QGZVFWFLSA-N 347.394 1.151 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCOC[C@@H](Cc2ccncn2)C1 257256162 KKIPLRHWYUPZKS-HNNXBMFYSA-N 329.375 1.876 0 40 EDAB CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN2C(=O)CN)n1 257336150 YNKFMWRQHQNBOZ-OAHLLOKOSA-N 325.416 1.832 0 40 EDAB OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCNC2)n1 257278742 ODLSEVURQVJQOW-CQSZACIVSA-N 342.447 1.400 0 40 EDAB Cc1cnc([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)cn1 257257739 KQWREHBGNUKZMY-QGZVFWFLSA-N 340.431 1.749 0 40 EDAB Cc1ccc(=O)n(CC(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)n1 257203257 APGGLKYERKXCLR-HNNXBMFYSA-N 341.415 1.074 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccnc(OCCOC)c2)C1 253405655 SYRCVBDUXJOBBA-AWEZNQCLSA-N 336.388 1.522 0 40 EDAB CCOC(=O)C1([S@@](C)=O)CCN(C(=O)c2ccccc2C)CC1 585126303 VUEVEYMKDPVYML-HSZRJFAPSA-N 337.441 1.911 0 40 EDAB CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccccc1C(F)(F)F 257319163 VRAJVUNFRRTPNC-PWSUYJOCSA-N 329.322 1.111 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]21 585136660 OQYJZDZPAQRIOD-HOSYDEDBSA-N 338.383 1.924 0 40 EDAB COC(=O)C[C@H]1CCCN1C(=O)C1CCC(N2CCOCC2)CC1 585129580 OOLIDWLXZCANGW-UYSNPLJNSA-N 338.448 1.432 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(Cc3c[nH]cn3)CCN2C(C)=O)c1 257237449 HGMQPOQICZIANG-QGZVFWFLSA-N 341.415 1.175 0 40 EDAB Cc1nc2ccccc2n1CC(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257312426 UNWVLLDNXYWILM-WMZOPIPTSA-N 329.400 1.487 0 40 EDAB COc1ccccc1Cc1cc(C(=O)N2CC(C(N)=O)C2)ccn1 257201702 AIQIYNNDYOOMDF-UHFFFAOYSA-N 325.368 1.238 0 40 EDAB CCCn1ccc(C(=O)NCc2cnc([C@@H]3CCN(C(C)=O)C3)[nH]2)n1 257214215 CLCQSGHWWCBEHM-CYBMUJFWSA-N 344.419 1.282 0 40 EDAB CNc1cc(C[C@H]2COCCN(C(=O)c3cccnc3)C2)ncn1 257255325 KHBCAARYVYJYGF-CYBMUJFWSA-N 327.388 1.245 0 40 EDAB CCS(=O)(=O)c1cc(F)ccc1NC(=O)N[C@@H](CO)CCOC 282024212 SLHMFVXKPNIRFI-LLVKDONJSA-N 348.396 1.138 0 40 EDAB CCOc1cccc(N2CCC(NS(=O)(=O)C3(C)CC3)CC2)n1 1616036476 WATSGDPJXVTLAD-UHFFFAOYSA-N 339.461 1.921 0 40 EDAB CC[C@@](C)(COc1ncccc1Cl)NC(=O)[C@H]1COCCN1C 390834734 VLDSECGCUALYDI-CJNGLKHVSA-N 341.839 1.729 0 40 EDAB COc1ccnc(CNC(=O)N2CCC(C)(C(=O)O)CC2)c1F 659414319 TWFRNWRTZPDDCT-UHFFFAOYSA-N 325.340 1.626 0 40 EDAB O=C(C1CC(O)C1)N1CCN2C[C@@H](OCc3ccccc3F)C[C@@H]2C1 585107887 AXPAEWNQPBUIPB-MYBQVCMBSA-N 348.418 1.398 0 40 EDAB Cn1nccc1/C=C/C(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 585289058 DVCGQOIENPVRPK-TUAOIZQGSA-N 327.384 1.520 0 40 EDAB Cc1cc(-c2nc(C)c[nH]2)nc([C@H]2CCCCN2S(C)(=O)=O)n1 585178855 SAPPZFXQWLUHKV-CYBMUJFWSA-N 335.433 1.970 0 40 EDAB C=CC(=O)N1CCC[C@H](c2cnc(Nc3nnc(CC)s3)cn2)C1 585291610 DSKLCDWIYNKZSJ-NSHDSACASA-N 344.444 2.526 0 40 EDAB Cc1sc2nc([C@H](C)N3CCN(CCO)CC3)[nH]c(=O)c2c1C 43305577 KYRHZLQXXOAVTC-NSHDSACASA-N 336.461 1.272 0 40 EDAB COCCOc1cc(N[C@@H]2CC(=O)N(C3CC3)C2=O)ccc1OC 55145593 RHEMWACJVSCMFG-CYBMUJFWSA-N 334.372 1.422 0 40 EDAB CCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1cccc(C(N)=O)c1 69389243 QUSCYTIKMMFKJT-ZDUSSCGKSA-N 335.429 1.055 0 40 EDAB CN(C[C@H]1CCCN(CCNS(C)(=O)=O)C1)C(=O)OC(C)(C)C 69738755 ZYLWLHUHABTRJW-CYBMUJFWSA-N 349.497 1.115 0 40 EDAB Cc1ncnc(N2C[C@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)c1C 585614611 IAGJHNJERSDGJU-ZIAGYGMSSA-N 336.403 1.104 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCCN1CCC(=O)N1CCOCC1 77372073 PLNHLJNQAIXHAP-SFHVURJKSA-N 345.487 1.832 0 40 EDAB CC(C)NC[C@H](O)COc1ccc(CNCCn2ccnc2)cc1 1615572222 UNGRMLIIVFCCAH-KRWDZBQOSA-N 332.448 1.411 0 40 EDAB CC(C)(C)c1ncc(I)c(N2CC[C@H](O)C2)n1 1615615457 XIJFMCYHSRSDNK-QMMMGPOBSA-N 347.200 1.950 0 40 EDAB CCN(CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCCOC 12602274 JYALQCAPSTWMMV-HRCADAONSA-N 342.553 1.149 0 40 EDAB biogenic,in-vitro Cc1cc2c(cc1NC(=O)c1ccc(F)cc1)n(C)c(=O)c(=O)n2C 13364625 FNYJGOYLGDQCLG-UHFFFAOYSA-N 341.342 1.937 0 40 EDAB O=C(COCC(=O)N1CCc2ccccc2C1)Nc1ccccn1 13942274 GGFJSLAYECNCMK-UHFFFAOYSA-N 325.368 1.622 0 40 EDAB COc1cc(NC(=S)NCCc2c[nH]cn2)cc(OC)c1OC 17070728 ANLWNSYQODJUAQ-UHFFFAOYSA-N 336.417 1.965 0 40 EDAB Cc1csc2c(=O)n3c(nc12)CCN(Cc1cncn1C)CC3 19240339 QRMGXZRPKCRWAB-UHFFFAOYSA-N 329.429 1.558 0 40 EDAB Cc1nc(C2CCN(C(=O)Cn3cncn3)CC2)c2sccn12 19240813 ZXDJJGFULHLOOK-UHFFFAOYSA-N 330.417 1.702 0 40 EDAB C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)C(=O)N1CCCC[C@@H]1C 153275256 JBVFABOLHARZNQ-ZOBUZTSGSA-N 347.459 1.679 0 40 EDAB COc1cc2c(cc1OC)-c1cc(NCCN(C)C)nc(=O)n1CC2 489139 IFNVHFJVMYSSTF-UHFFFAOYSA-N 344.415 1.457 0 40 EDAB biogenic Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(C)c1 583616476 ZTTXZKKQUWWPGG-OAGGEKHMSA-N 339.457 1.854 0 40 EDAB Cc1nnsc1C(=O)NCC1(N2CCSCC2)CCOCC1 1888834757 SAMJPWQFVURASL-UHFFFAOYSA-N 342.490 1.174 0 40 EDAB COc1ccccc1C(=O)N1CC[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037985764 VKSRPKXPYOBYRJ-LJQANCHMSA-N 346.427 1.795 0 40 EDAB O=C(c1cncnc1)N1CCC[C@](O)(COc2ccccc2)CC1 2037905623 RWENBIFRCKSTPI-GOSISDBHSA-N 327.384 1.913 0 40 EDAB O=C(NCC1CC1)[C@@H]1C[C@@]12CCN(C(=O)Cc1ccc(F)cn1)C2 1565547161 LLVXQERTUZZJBW-MAUKXSAKSA-N 331.391 1.528 0 40 EDAB CC(C)N(C)CC(=O)N[C@H]1COCc2c1cnn2C1CCOCC1 1565556826 YRAFQPKPHJAYNY-HNNXBMFYSA-N 336.436 1.262 0 40 EDAB CC(=O)NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21 9823071 YBLQIHFXRZVWAY-UHFFFAOYSA-N 345.790 1.431 0 40 EDAB CCN(CC)C(=O)CSc1nnc(-c2cn(C)nc2OC)n1C 12422574 VMAZVIYBICNNQJ-UHFFFAOYSA-N 338.437 1.185 0 40 EDAB CN(C)Cc1noc2c1C[C@@H](NC(=O)COc1ccc(F)cc1)CC2 2055734527 GWBATEHTYHJJSX-ZDUSSCGKSA-N 347.390 1.928 0 40 EDAB CN1CCN([C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)O)CC1 22593088 SJXYZKXROJQPKW-QGZVFWFLSA-N 341.411 1.869 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(CC(F)(F)F)CC1 44448759 XSRSBNJMAOFSRD-UHFFFAOYSA-N 343.305 1.301 0 40 EDAB CCS(=O)(=O)c1ccc(NC(=O)COCC(F)(F)F)cc1 40548464 NNMDQLPQNXKBRN-UHFFFAOYSA-N 325.308 1.998 0 40 EDAB C[C@H](CNC(=O)[C@H](Cc1ccccc1)n1cnnn1)N1CCCC1 40522508 RWFLNWYKSPMGJO-ZBFHGGJFSA-N 328.420 1.057 0 40 EDAB O=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1cccnc1 40505463 RZDDSWSBODPJSR-QGZVFWFLSA-N 326.400 1.622 0 40 EDAB CCCCOC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 3513112 SPSREWRSLVRMBQ-UHFFFAOYSA-N 349.416 1.898 0 40 EDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O 4514528 GIUGRFOIZILDOL-GOSISDBHSA-N 347.390 1.995 0 40 EDAB Cn1c(=O)n(CC(=O)NCCc2cn3ccccc3n2)c2ccccc21 21135692 MNUUALRESPEYAE-UHFFFAOYSA-N 349.394 1.347 0 40 EDAB O[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)CN1CCCCC1 52131474 PYMMTTBBZTUITF-JTQLQIEISA-N 344.341 1.402 0 40 EDAB C[C@@H]1C[C@H](OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C(=O)O1 32736482 APFIMRKBMGQACN-ABAIWWIYSA-N 349.358 1.925 0 40 EDAB CC(=O)n1c2c(c3ccccc31)=NN1C[C@@H](c3ccccc3)N=C1N=2 492851 UHLNWGWDAUBNFI-HNNXBMFYSA-N 329.363 1.882 0 40 EDAB CCn1cc([C@@H]2OCC[C@@H]2CN[C@H](C(N)=O)c2ccccc2)cn1 83843447 CIDXXMXEPLHFNC-HYVNUMGLSA-N 328.416 1.797 0 40 EDAB COc1cccc(CN2C[C@H](C(=O)N3CCCCO3)[C@H]3OCC[C@H]32)n1 108528141 HVQBXNFHWXGXPQ-ZMSDIMECSA-N 347.415 1.234 0 40 EDAB Cc1ncsc1CN1CCC2(CC1)CC(NS(C)(=O)=O)C2 108535280 VAPFOUTUDMZPHI-UHFFFAOYSA-N 329.491 1.745 0 40 EDAB C[C@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)NC(N)=O 2627323 JGJYHHGYTXVQLH-VIFPVBQESA-N 335.385 1.746 0 40 EDAB CCOC(=O)C1=C(CSc2nccn2C2CC2)NC(=O)N[C@@H]1C 21831076 URSAPLQRFVBNJI-SECBINFHSA-N 336.417 1.829 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)NCC1(N(C)C)CCCCC1 33019867 SHMZAJZXRUTUST-LBPRGKRZSA-N 330.498 1.157 0 40 EDAB Cc1cc(NC(=O)CN2CC[C@H](C(N)=O)C2)n(-c2ccccc2F)n1 52962590 VMGFALKVMKSAJZ-LBPRGKRZSA-N 345.378 1.066 0 40 EDAB CC(C)CN1C[C@H](C(=O)Nc2ccc(-n3cccn3)nc2)CC1=O 29851758 PMFRZEZCGXZAER-CYBMUJFWSA-N 327.388 1.710 0 40 EDAB O=C(NCc1ccncc1)[C@@H]1COCC(=O)N1Cc1ccccc1 89834820 IOJVRGAHOXCUAK-INIZCTEOSA-N 325.368 1.125 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)COc2cccc(C(N)=O)c2)c1C 42113038 XFWAPGOJLUTIKK-UHFFFAOYSA-N 330.340 1.779 0 40 EDAB Cc1noc(C)c1COc1ccc(C(=O)N2CC[C@@H](C(N)=O)C2)cc1 53891014 OWLWBYPKAJBDNR-CQSZACIVSA-N 343.383 1.818 0 40 EDAB Cc1nn(CC(=O)N(C[C@H]2CCOC2)C2CC2)c(=O)c2ccccc12 46936243 MBVKLMNXBIKCAY-CQSZACIVSA-N 341.411 1.732 0 40 EDAB CCOC(=O)CN(C(C)C)S(=O)(=O)c1cc(OC)ccc1OC 54039585 AFRYXOKPMNBAKR-UHFFFAOYSA-N 345.417 1.666 0 40 EDAB COc1ccccc1NC(=O)NC1CCN(S(C)(=O)=O)CC1 23053322 BYKDJYAKQLXYKJ-UHFFFAOYSA-N 327.406 1.241 0 40 EDAB C[C@H]1Oc2ccc(NC(=O)CNC(=O)c3ccco3)cc2NC1=O 8014392 NZYLHZKBBDXUOG-SECBINFHSA-N 329.312 1.368 0 40 EDAB Cc1ccc(-n2cnnc2SCC(=O)N2CCNC2=O)c(C)c1 23238835 QCAQMAIMDMENBW-UHFFFAOYSA-N 331.401 1.528 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)c1ccc(S(N)(=O)=O)cn1 23718192 LMSUAESAASKHLS-LLVKDONJSA-N 335.385 1.005 0 40 EDAB Cc1cc2nc([C@H](C)NC(=O)[C@H](C)n3nccc3C)cc(O)n2n1 100217860 VIWUQFVDEBQHCG-RYUDHWBXSA-N 328.376 1.687 0 40 EDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc2c1OCCO2 56044409 RTAAIMZJQUECMK-CYBMUJFWSA-N 334.397 1.814 0 40 EDAB Cc1ccc(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 47323776 GWVYETAAKZYTPT-ZDUSSCGKSA-N 325.434 1.788 0 40 EDAB CC(C)(CNC(=O)c1ccc(Cl)s1)N1CCS(=O)CC1 71907631 PNWZLOCRIYEQOF-UHFFFAOYSA-N 334.894 1.974 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C2CCCCC2)C1 56073116 BVTOFEQNYKPLGU-CYBMUJFWSA-N 347.481 1.706 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O 24835141 VPLSVJVFERTNDN-QGZVFWFLSA-N 338.323 1.255 0 40 EDAB CN(c1ccccc1)C1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 57089367 PQGVRVFMFBYREL-UHFFFAOYSA-N 326.400 1.521 0 40 EDAB CC(C)CN1CCC(C(=O)NCCNC(=O)c2ccccc2)CC1 47938520 OBHZLVHHMIFPCU-UHFFFAOYSA-N 331.460 1.901 0 40 EDAB C[C@H](NC(=O)CN1CCN(CCO)CC1)c1ccc2c(c1)CCCC2 58013782 DYIAUNVVEWGCQW-INIZCTEOSA-N 345.487 1.353 0 40 EDAB O=C(CCc1ccccc1)N1CCN(C(=O)Nc2cn[nH]c2)CC1 58191015 RIQOSPDPKVVBTQ-UHFFFAOYSA-N 327.388 1.719 0 40 EDAB CCc1cccc2c1N(S(=O)(=O)c1cc(C(N)=O)n(C)c1)CC2 58168356 YOZGJACUMOOLLG-UHFFFAOYSA-N 333.413 1.438 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@@H](C)n1cncn1)O[C@@H](C)C2 27582521 IXIUQTXGNHQXKP-NWDGAFQWSA-N 330.388 1.878 0 40 EDAB Cc1c(C(=O)N2CCN(c3ncccn3)CC2)[nH]c2c1C(=O)CCC2 44867832 WWPVGHUAKOFUFO-UHFFFAOYSA-N 339.399 1.595 0 40 EDAB COc1ccccc1NC(=O)N1CCC(NS(C)(=O)=O)CC1 10259720 GSHGMLFCYBACJD-UHFFFAOYSA-N 327.406 1.241 0 40 EDAB CCOC(=O)c1cnc(S[C@H](C(=O)N(C)C)C(C)C)nc1N 58203422 KMAQIXCTZGAQRU-JTQLQIEISA-N 326.422 1.440 0 40 EDAB CC(C)(CNc1cnn(Cc2ccccc2)c(=O)c1Cl)C(N)=O 44976518 QLPBJMSAUUTQLB-UHFFFAOYSA-N 334.807 1.868 0 40 EDAB CN(C(=O)C1CCOCC1)C1CCN(CCc2ccncc2)CC1 58393168 QAVFHLQMAOHATE-UHFFFAOYSA-N 331.460 1.974 0 40 EDAB COc1ccc(N(C)S(=O)(=O)c2c[nH]c(C(=O)O)c2)cc1OC 58355164 VUGCYERUJNONIG-UHFFFAOYSA-N 340.357 1.555 0 40 EDAB COCc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 58367660 LAECNBCQRNEEDV-CYBMUJFWSA-N 344.333 1.860 0 40 EDAB COc1cc(F)c(S(=O)(=O)NCc2cccnc2)cc1OC 27934452 KVQYTUASXHAXGK-UHFFFAOYSA-N 326.349 1.716 0 40 EDAB Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 58457583 PBTXUYIKWNONHD-CYBMUJFWSA-N 329.443 1.335 0 40 EDAB CCCO[C@H]1CCCN(C(=O)CN(C)c2ncnc3[nH]cnc23)C1 58404499 WDUPQLIGGRRAQS-LBPRGKRZSA-N 332.408 1.207 0 40 EDAB Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)NC4CC4)C3)nn2)n1 62164309 CAJCMZVHWLTMFC-AWEZNQCLSA-N 340.431 1.774 0 40 EDAB COc1cc(OC)c(C(=O)OCC(=O)N2CCCCC2)cc1OC 3370970 OZOIRSUVXBCCGL-UHFFFAOYSA-N 337.372 1.882 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 20731423 HDYTUTAZWUWOKH-CYBMUJFWSA-N 349.818 1.384 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)Cn1nc(-c2ccccc2)oc1=O 48262883 VKEZHLJYVKZNIH-ZDUSSCGKSA-N 331.372 1.388 0 40 EDAB CN1CCN(c2cc(CNC(=O)c3ccnc(Cl)c3)ccn2)CC1 48330093 OWMQWDTVTJWJLQ-UHFFFAOYSA-N 345.834 1.812 0 40 EDAB CC(C)NC(=O)CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 8166297 DIZAJQVAYJOOSL-UHFFFAOYSA-N 346.214 1.364 0 40 EDAB CNC(=O)NC(=O)CCSc1nnnn1-c1cccc(C)c1C 12925627 CQRSUJZDNVEPDE-UHFFFAOYSA-N 334.405 1.217 0 40 EDAB CCCn1nc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)ccc1=O 13000125 RMMLQOKMHXOPQJ-SNVBAGLBSA-N 342.355 1.625 0 40 EDAB CCOC(=O)[C@H](C(N)=O)c1snnc1C(=O)Nc1ccc(C)cc1 3770886 PTFZUAFKRKGJRY-JTQLQIEISA-N 348.384 1.231 0 40 EDAB O=C(CN1CCC[C@@H](CCO)C1)Nc1ccccc1C(=O)NC1CC1 70038192 WRTNZYWHIXBKAB-AWEZNQCLSA-N 345.443 1.612 0 40 EDAB Cc1cc(NC(=O)[C@H](C)Sc2nnnn2C2CCOCC2)on1 69323472 NZHJZCCZIZYSFO-VIFPVBQESA-N 338.393 1.440 0 40 EDAB CNC(=O)COc1cccc(NC(=O)CN2CCCCCCC2=O)c1 49699100 MSRQFJVSEIGCLG-UHFFFAOYSA-N 347.415 1.543 0 40 EDAB CC(=O)Nc1ccc(OC[C@@H](O)CN(C)Cc2cc(C)on2)cc1 29729395 UJRPWFITPGYPPR-INIZCTEOSA-N 333.388 1.813 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)NCc2ncc(-c3ccccc3)[nH]2)C1 69456051 XGMKTPAPNAIBNX-HNNXBMFYSA-N 326.400 1.951 0 40 EDAB Brc1cnc(N2CCN(C[C@@H]3CCCO3)CC2)nc1 69415433 AUXTXUZJSLQGNP-LBPRGKRZSA-N 327.226 1.540 0 40 EDAB CC[C@](C)(NS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)OC 69444263 PAIJGDGFKWFSDY-LBPRGKRZSA-N 325.308 1.724 0 40 EDAB Cc1cc(C)n(CCCNCc2c(C)nn(C)c2N2CCOCC2)n1 65491709 IDLGSTRYPCQUBP-UHFFFAOYSA-N 346.479 1.558 0 40 EDAB COCCN1CCCN(C(=O)NC[C@H](c2ccco2)N(C)C)CC1 65427771 QYOLZDAVWSSLTP-OAHLLOKOSA-N 338.452 1.246 0 40 EDAB Cc1n[nH]c(-c2ccc(NS(=O)(=O)c3c[nH]c(C(=O)O)c3)cc2)n1 65553865 SDUBFWATINICDP-UHFFFAOYSA-N 347.356 1.607 0 40 EDAB CCOCCN(C[C@@H](C)C(=O)OC)C(=O)c1cnc2onc(C)c2c1 65587250 MGIRCRFGHDBQIH-LLVKDONJSA-N 349.387 1.819 0 40 EDAB C[C@@H]1c2cccn2CCN1CC(=O)NCC(=O)Nc1ccc(F)cc1 14186923 JYVQLJLLGARBHO-CYBMUJFWSA-N 344.390 1.759 0 40 EDAB CN(C(=O)COc1ccc(Cl)cc1)[C@@]1(C)CCS(=O)(=O)C1 4505165 XMNOTCWKYDDDHT-AWEZNQCLSA-N 331.821 1.754 0 40 EDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(C)C)C1=O 4514018 KCZIXVGAJSSSCT-KRWDZBQOSA-N 335.379 1.755 0 40 EDAB CC(=O)N1CCN(C(=O)c2c(C)nn(-c3ccccc3)c2C)CC1 6771696 CBWLBWUBSJGYJA-UHFFFAOYSA-N 326.400 1.793 0 40 EDAB CCOC(=O)c1cn(CC(=O)N(CC)CC)c2nc(C)ccc2c1=O 69771725 RKBSWXIIOXVACR-UHFFFAOYSA-N 345.399 1.750 0 40 EDAB COc1ccccc1C[C@@H]1CCCN(CC(=O)N2CCOCC2)C1 66894366 LPGVYZFRRZYECH-INIZCTEOSA-N 332.444 1.809 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)Cn3ccnc3)CC2)o1 69876727 NGYVGTFTOWRCLL-CYBMUJFWSA-N 345.403 1.341 0 40 EDAB O=C(NCCn1ccnc1)[C@@H]1CCCN1C(=O)Cc1ccccc1 67477425 JAQCYKOSIBNYKX-INIZCTEOSA-N 326.400 1.233 0 40 EDAB CCCCCNC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 7288785 YPMMDMMRFCEAQM-UHFFFAOYSA-N 349.431 1.974 0 40 EDAB CN1C(=O)CCc2cc(NC(=O)[C@@H]3CC(=O)N(CC4CC4)C3)ccc21 69977462 OQNDGHVXHULLPW-CQSZACIVSA-N 341.411 1.793 0 40 EDAB Cc1cc(C(=O)N2CCN(C[C@H](C)O)CC2)c2ccc(F)cc2n1 69981209 GXVUBTRQTGVOTB-ZDUSSCGKSA-N 331.391 1.821 0 40 EDAB COC(=O)CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 8747426 QBHAUWAHVPLONK-AWEZNQCLSA-N 331.372 1.291 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(OCC(N)=O)cc2)C1 7580831 NHLDNFFVPFOZQZ-STQMWFEESA-N 348.399 1.212 0 40 EDAB C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(c3ccccc3)CC1)CS2 7609174 MMSFQSYBWMBQNJ-YJBOKZPZSA-N 345.468 1.789 0 40 EDAB CC[C@H](C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 7647216 OAJDIZXAFGHWRF-KBPBESRZSA-N 339.413 1.027 0 40 EDAB COCCCN1C(=O)NC(=O)[C@@]2(Cc3cc(C)ccc3N(C)C2)C1=O 8974047 VNGIDWRMKVVVCV-SFHVURJKSA-N 345.399 1.089 0 40 EDAB CC(C)[C@@H](NC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)O 75572851 NVCCQPXHRQEHSL-CYBMUJFWSA-N 326.780 1.685 0 40 EDAB CCN1CCN(CCCCNC(=O)N2C[C@@H](C)S[C@H](C)C2)CC1 76085547 IIQVUKJKOLUOSB-HZPDHXFCSA-N 342.553 1.940 0 40 EDAB CC(C)Cn1cnnc1[C@H]1CCCN1CC(=O)NC[C@@H]1CCCO1 96415751 GGTCLDUOVDVUSM-LSDHHAIUSA-N 335.452 1.366 0 40 EDAB CC(C)Cc1nnc([C@H](C)N2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)o1 76058738 MEXYXTKCCZQGNH-NVGCLXPQSA-N 349.435 1.639 0 40 EDAB Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)N1CCOc2ccccc21 71804307 NQDJEYXHCIGRDC-UHFFFAOYSA-N 349.364 1.987 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)CN(C)C(=O)OC(C)(C)C 71894437 MATCAVVVMIRFTO-NWDGAFQWSA-N 348.465 1.040 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)OC 71840038 PVSHXLVDVOWZPM-YVEFUNNKSA-N 348.399 1.506 0 40 EDAB O=C(Cc1ccccc1F)N1CCN(Cc2nnc(C3CC3)o2)CC1 71833212 CWLKYHWKDVOEFV-UHFFFAOYSA-N 344.390 1.973 0 40 EDAB COc1ccc(F)cc1C(=O)C(=O)NCC(=O)NCc1ccccc1 71882487 HUZXWBJKCVZRDA-UHFFFAOYSA-N 344.342 1.450 0 40 EDAB CCn1ncc(C(=O)N2CCC[C@H](n3cncn3)C2)c1C(F)(F)F 72235044 MKOUDBDYERGOSW-JTQLQIEISA-N 342.325 1.991 0 40 EDAB CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)no1 72299417 DXNVUJNDQQKCEU-NEPJUHHUSA-N 335.408 1.647 0 40 EDAB O=C(CN1Cc2ccccc2C1=O)N1CCC[C@H](n2cncn2)C1 72268091 MUXVMSJPWOWSON-AWEZNQCLSA-N 325.372 1.098 0 40 EDAB Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 78182647 SSKRLCZQUGVDAG-ZIAGYGMSSA-N 329.400 1.641 0 40 EDAB O=C1N[C@H](c2ccc(Br)c3cccnc23)N2CCOC[C@H]12 97046628 IOATVDPTOLZRQT-OCCSQVGLSA-N 348.200 1.827 0 40 EDAB NC(=O)[C@@H]1COCCN1c1cnc2cc(Cl)c(Cl)cc2n1 97371946 GDEFDPIDXKCZJG-NSHDSACASA-N 327.171 1.627 0 40 EDAB CC[C@@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)CCS1 78966752 ZFCGUKHQNQNKRG-MRXNPFEDSA-N 348.516 1.948 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(C[C@H](O)c3cccc(F)c3)C2)C1=O 84597323 UBUZGGYYYKDRJT-WMLDXEAASA-N 335.379 1.264 0 40 EDAB Cc1ccc(CC(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)cn1 78901290 RCFPNLDWGLTVKP-ZDUSSCGKSA-N 327.388 1.161 0 40 EDAB CCc1nc(CCNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cs1 78930453 FSHIWDGQRBOPEF-LBPRGKRZSA-N 338.477 1.947 0 40 EDAB Cc1cc(NC(=O)CN2CCN(c3nccs3)[C@H](C)C2)n(C)n1 95351833 CVOMSNCTAKUJQA-GFCCVEGCSA-N 334.449 1.334 0 40 EDAB CNC(=O)c1cccnc1N1CCN(c2cccc(Cl)n2)CC1 95403084 CFDHFQDBBDPXRZ-UHFFFAOYSA-N 331.807 1.816 0 40 EDAB Cn1cnc(CNC(=O)CSc2ccc(Br)cc2)n1 95454081 PKAAMKGSSCENGN-UHFFFAOYSA-N 341.234 1.986 0 40 EDAB CC(C)(C)c1nc(CN2CCCN(C(=O)C3=COCC3)CC2)no1 95409630 FNHRSQBDXKSVFR-UHFFFAOYSA-N 334.420 1.706 0 40 EDAB CCc1nn(C)c(CC)c1CNC(=O)N[C@H]1CCc2nc(C)nn2C1 95437820 LIQDQFTUXIVAPJ-LBPRGKRZSA-N 345.451 1.259 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)NCCOc1cccc(C(C)(C)C)c1 73235321 UDQKKUDYSGZLHW-ZDUSSCGKSA-N 333.432 1.893 0 40 EDAB O=C(NCCc1ccccn1)c1cc(-n2cnnn2)ccc1Cl 79473589 IPAHKDGXAVSQMU-UHFFFAOYSA-N 328.763 1.683 0 40 EDAB O=C(c1ccncc1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 95999337 JUWADHTVPPVZAO-UHFFFAOYSA-N 343.408 1.299 0 40 EDAB CCOC(=O)c1cnc(N2CC[C@@H](Cc3cnn(C)c3)C2)nc1C 95993856 CSWWNXCXOINBOV-ZDUSSCGKSA-N 329.404 1.764 0 40 EDAB O=[S@@](CCO)Cc1cc2c(cc1Br)OCCCO2 95993734 JFYAMACHLOHOAG-GOSISDBHSA-N 335.219 1.851 0 40 EDAB O=C(O)C[C@@H](NCc1ccco1)C(=O)Nc1ccccc1C(=O)O 9957044 CBZIBEWXUFRPOZ-CYBMUJFWSA-N 332.312 1.549 0 40 EDAB COc1ccc([C@H](NC(=O)[C@H]2CNC(=O)N2)c2ccc(F)cc2)cc1 89438895 VJNROZWYUKVPSW-HZPDHXFCSA-N 343.358 1.721 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3c(C)oc4nc[nH]c(=O)c34)C2)c1 75131151 UQXJXDLGWZRBTM-GFCCVEGCSA-N 341.371 1.807 0 40 EDAB C[C@@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CCc2ccccc2C1 75132912 SLMXYIYSVRJNMM-CJNGLKHVSA-N 325.416 1.156 0 40 EDAB CC(C)n1cc(CN2CCn3cc(CC(=O)N(C)C)nc3[C@H]2C)cn1 306139661 TWSYGKSWOLHQOE-CQSZACIVSA-N 344.463 1.868 0 40 EDAB O=C(O)[C@H]1CS[C@@H](Cc2ccccc2Br)C(=O)N1 62712283 OIAOEBVYBRZTER-ZJUUUORDSA-N 330.203 1.676 0 40 EDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(Cc2cnn(C)c2)C3)n1 306136165 PLEVLFMTZATJFV-HNNXBMFYSA-N 329.404 1.331 0 40 EDAB CCNC(=O)[C@@H]1CCCN(c2cncc(-n3nc(C)cc3C)n2)C1 78979746 JJXFZNCKBUOYHJ-CQSZACIVSA-N 328.420 1.632 0 40 EDAB COC(=O)[C@H]1[C@H](c2cccc(OC)c2)c2c(O)n[nH]c2C[C@]1(C)O 4385896 NPXLGNAPIFIVDK-MRRJBJDNSA-N 332.356 1.352 0 40 EDAB CCN1CCN(c2ncc3c(=O)n(Cc4ccccc4)ccc3n2)CC1 39404012 JPHHATINDVIHCW-UHFFFAOYSA-N 349.438 1.982 0 40 EDAB COc1ccc2nnc(CCCC(=O)NCc3ccccc3F)n2n1 72402969 RAVPFOKPVFKUBX-UHFFFAOYSA-N 343.362 1.911 0 40 EDAB COc1cccc(CNC(=O)C(=O)NC[C@H](O)c2sccc2C)c1 70635818 YUVYTJICFDRJPG-AWEZNQCLSA-N 348.424 1.531 0 40 EDAB Cc1ncn(CC(=O)N[C@H]2CCN(Cc3ccsc3)C2)c(=O)c1C 675008063 ULTDPJKVDBETEV-HNNXBMFYSA-N 346.456 1.312 0 40 EDAB Cc1cc(O)nc([C@@H](C)N2CCN(C[C@H](O)c3ccccc3)CC2)n1 192574895 SIWLJRRVOOTPTE-WBVHZDCISA-N 342.443 1.903 0 40 EDAB O=C(CCc1ccccc1Br)NCCc1nc(=O)o[nH]1 568948860 UZVPKMVDUGHNFD-UHFFFAOYSA-N 340.177 1.417 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2)C1 225807249 DGRWONIKZWDDAF-HIFRSBDPSA-N 343.383 1.932 0 40 EDAB C[C@H]1CN(C(=O)N[C@H](C)CCn2cncn2)CCN1CC(F)(F)F 195546952 SSMJNXTVFZJLTG-NEPJUHHUSA-N 348.373 1.335 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C 193412179 YTNKTQDPPQEHOD-LLVKDONJSA-N 328.434 1.585 0 40 EDAB COC(=O)c1cc(CNCC2CCS(=O)(=O)CC2)n(C)c1C 572231905 ARBRUIOPPGPFEM-UHFFFAOYSA-N 328.434 1.035 0 40 EDAB COc1ccccc1CNC(=O)c1c(O)n2cc(C)ccc2nc1=O 226822196 SRVUAZSCAXUJIA-UHFFFAOYSA-N 339.351 1.647 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)n1)c1ccccc1Cl 224216231 GREMFCIEHHJVTI-UHFFFAOYSA-N 332.791 1.897 0 40 EDAB Cc1cc(C)cc([C@@H](O)CNC(=O)NCC(=O)N2CCCCC2)c1 225756561 SJEUVIDRDVQGGY-INIZCTEOSA-N 333.432 1.649 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCc2ccco2)CC1 87021997 JORCLJAXDFISHZ-HNNXBMFYSA-N 348.447 1.160 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccco2)[C@H]1c1ccc(F)cc1 96181713 TVYJOOBISNHYTE-HZPDHXFCSA-N 332.331 1.633 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccncc2)Cc2nccn2C1 96066840 DRMISEZWZDTSMZ-INIZCTEOSA-N 343.431 1.015 0 40 EDAB COc1csc(C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)c1 96446308 BMPVQWRQXUSSGU-VIFPVBQESA-N 336.335 1.992 0 40 EDAB COc1ccc(CN2C(=O)CO[C@@H]3CN(C(=O)NC(C)C)C[C@H]32)cc1 96081673 JASZWWCROMPEFP-HZPDHXFCSA-N 347.415 1.225 0 40 EDAB C[C@](O)(CNC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccsc1 96444467 GFAMXRXZXRPNQS-DYVFJYSZSA-N 348.424 1.970 0 40 EDAB Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2ccccc2)n1 96120925 AAMBVCCBNOIXNL-UHFFFAOYSA-N 348.428 1.100 0 40 EDAB O=C(c1ccsc1)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 96202319 FWMIBXPDCGVSHM-KRWDZBQOSA-N 344.440 1.907 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)NC2CC2)[C@H]1Cc1ccccc1 96200831 GFALJQOKFNWSQM-CABCVRRESA-N 337.445 1.093 0 40 EDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 96193185 FSTITBSCTCFOTJ-UHFFFAOYSA-N 328.434 1.540 0 40 EDAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1ccoc1)C2 96056950 GKVYSHUJPUYLLG-SJLPKXTDSA-N 336.432 1.756 0 40 EDAB Cc1cc(NC(=O)CN2CCC(COc3ccccn3)CC2)n(C)n1 95408407 QAHBXAZYVNPKBR-UHFFFAOYSA-N 343.431 1.853 0 40 EDAB CN(C)CC(=O)N1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 96217740 YRWXBLBQFYEWNO-MRXNPFEDSA-N 347.459 1.667 0 40 EDAB O=C1CN(C[C@H](O)COc2cccc3[nH]ccc23)CCN1C1CC1 96471599 LZSYUACQVSRMGM-AWEZNQCLSA-N 329.400 1.214 0 40 EDAB C[C@H]1CN(Cc2cccc(NC(=O)CCn3cncn3)c2)C[C@H](C)O1 96414505 KRHUDOCNJDOHPP-GJZGRUSLSA-N 343.431 1.916 0 40 EDAB Cc1ccoc1C(=O)NCCCNC(=O)[C@H]1Cc2ccccc2O1 96413988 JYAUUZZJVDQYCB-OAHLLOKOSA-N 328.368 1.828 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@@H](NS(=O)(=O)CCCF)C1=O 96456126 KCDGDKCNOWNKJM-CYBMUJFWSA-N 346.399 1.909 0 40 EDAB CC(C)COC[C@H]1CN(C(=O)c2ncccn2)Cc2cncn2C1 96216697 PIPWNFDJUNWRRL-AWEZNQCLSA-N 329.404 1.618 0 40 EDAB Cc1cc(CN2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)no1 247894549 GZUWBBMDWLYDMA-MRXNPFEDSA-N 329.404 1.749 0 40 EDAB c1ccc(CN2CC3(CC[C@@H](CNc4ncccn4)CO3)C2)nc1 248107329 PNBZRHMKBOSACM-HNNXBMFYSA-N 325.416 1.965 0 40 EDAB c1cnc(N2CC3(C2)OCC[C@H]3CCOCC2CCOCC2)nc1 247846032 MOTGTQJARIWBMB-MRXNPFEDSA-N 333.432 1.905 0 40 EDAB Cn1cc(CN2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)cn1 257207456 BHVLHTMOKXACHB-SFHVURJKSA-N 336.399 1.846 0 40 EDAB CCc1ccc([C@@H](COC)NS(=O)(=O)CC2(C(=O)OC)CC2)o1 583651541 ODOHPESDXOWQCT-GFCCVEGCSA-N 345.417 1.402 0 40 EDAB CCN[C@H]1CCOC2(CCN(S(=O)(=O)c3cccnc3)CC2)C1 257283312 OXTJDCTYUAGEHA-AWEZNQCLSA-N 339.461 1.393 0 40 EDAB O=C(NCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1=CCCCC1 252570762 XCAVHUQXTSOYCU-YHUYYLMFSA-N 328.412 1.800 0 40 EDAB O=C1CO[C@H]2CCN(C(=O)c3ccc(N4CCCC4)cc3)C[C@@H]2N1 257245349 IPBYONUTTJQZAL-HOTGVXAUSA-N 329.400 1.016 0 40 EDAB COc1ccccc1[C@H]1CN(C(=O)c2cnc(O)nc2O)CCN1C 257296493 RDCNPCGOXFXMKR-CYBMUJFWSA-N 344.371 1.025 0 40 EDAB Cc1ccccc1Cc1nc(CS(=O)(=O)Cc2ccnn2C)no1 252509086 YCEDQYOUQUPKMU-UHFFFAOYSA-N 346.412 1.817 0 40 EDAB COc1ccc([C@H]2CN(c3nc(OC)nc(OC)n3)CCN2C)cc1 257334672 YGXQSWPHWAHKMD-CQSZACIVSA-N 345.403 1.391 0 40 EDAB CNS(=O)(=O)c1ccc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)nc1 252549625 RKXDOFGSLXKMLJ-WBVHZDCISA-N 346.456 1.847 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)c1cnn(C)c1 257276184 NSRGMLPPKLAGNV-OAHLLOKOSA-N 342.403 1.132 0 40 EDAB Nc1cccc([C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257271604 MYZSYIFIFWFIQW-HNNXBMFYSA-N 331.347 1.782 0 40 EDAB COC(=O)[C@H](Cc1ccncc1)NS(=O)(=O)Cc1cccc(C)c1 585114582 KGUXVQOGJJKJRC-INIZCTEOSA-N 348.424 1.594 0 40 EDAB Cc1c[nH]c([C@H]2CN(S(=O)(=O)c3ccccc3F)CCO2)n1 257245409 IPIWXMAOBVVSCL-GFCCVEGCSA-N 325.365 1.619 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3coc(C)n3)CC2)C[C@H](O)C1(C)C 257234905 GVNZKPYQLXQVRC-HNNXBMFYSA-N 349.431 1.597 0 40 EDAB O=S(=O)(NC1(c2nnc[nH]2)CCC1)c1cccc(Cl)c1F 285685864 QTXMLZQDYKPJQP-UHFFFAOYSA-N 330.772 1.955 0 40 EDAB COc1cccc(Cl)c1CNC(=O)N1C[C@@H](CO)[C@H](CO)C1 1615057379 BILXTENLGNYSCW-QWRGUYRKSA-N 328.796 1.091 0 40 EDAB COc1ncc(Br)cc1CNC(=O)CCc1cn[nH]c1 630024099 ZQNLVEPIYRNGJC-UHFFFAOYSA-N 339.193 1.825 0 40 EDAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cn(-c2ccccc2)nn1 731426284 DFJAXIZPDUJGHE-AWEZNQCLSA-N 343.412 1.623 0 40 EDAB CO[C@@](C)(CNC(=O)C(=O)Nc1cc(C)on1)c1ccccc1F 96123625 INMDZOMXMANTQO-INIZCTEOSA-N 335.335 1.739 0 40 EDAB CC1(C)OCC[C@H]1CNS(=O)(=O)Cc1ccc(C(=O)O)cc1 663431212 IFPPTCZAKNLUDR-ZDUSSCGKSA-N 327.402 1.619 0 40 EDAB Cc1noc(CCC(=O)N2CC[C@H](O)[C@H](Cc3ccccc3)C2)n1 585276471 LVTGKFFCHVLVJW-CVEARBPZSA-N 329.400 1.763 0 40 EDAB C[C@@H](NC(=O)NC1CCN(CC(N)=O)CC1)c1ccc(Cl)s1 48264001 GCFFYNVSXAZTDU-SECBINFHSA-N 344.868 1.711 0 40 EDAB CNC(=O)[C@@H]1CCCN1CC(=O)Nc1cc(C)c(Cl)cc1OC 69381878 CIDOKELLFBXRNI-ZDUSSCGKSA-N 339.823 1.806 0 40 EDAB CS(=O)(=O)N1CCc2nc(NC(=O)[C@H]3CC=CCC3)sc2C1 77155436 IHNATYVJUMNEDE-JTQLQIEISA-N 341.458 1.756 0 40 EDAB O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncncc3F)C[C@@H]2C1 1146169667 IENIJGXTONEQHW-CHWSQXEVSA-N 348.403 1.373 0 40 EDAB Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cc(-c3cccnc3)n(C)n1)C2 1615570043 HUKXHEDJLXIAJZ-OAHLLOKOSA-N 348.410 1.868 0 40 EDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1O 12767849 SIJJLNQUDPZOIE-UHFFFAOYSA-N 345.380 1.460 0 40 EDAB OCCOCCNc1ncnc2c1cnn2-c1cccc(Cl)c1 17150070 SVEVQAZFYKHUTR-UHFFFAOYSA-N 333.779 1.890 0 40 EDAB CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)C2CCCC2)C3)C1 19016613 OLCZIDFYYZPKFZ-HNNXBMFYSA-N 342.443 1.887 0 40 EDAB CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(C)=O)CC2 19498851 UCJWOXOINKAWSC-CQSZACIVSA-N 332.404 1.138 0 40 EDAB CCOC(=O)/C=C/C(=O)OCC(=O)c1ccc(CNC(C)=O)s1 7339297 DPQBCCFYMUEFLV-VOTSOKGWSA-N 339.369 1.229 0 40 EDAB COc1nccnc1O[C@H]1CCCN(C(=O)c2c(C)noc2C)C1 225495034 MKHVQZKUTDUDLD-LBPRGKRZSA-N 332.360 1.774 0 40 EDAB Cc1oncc1CN1CCN(c2cc(C3CCOCC3)ncn2)CC1 1888843483 BMMXRYYFPIGIGF-UHFFFAOYSA-N 343.431 1.989 0 40 EDAB O=C(c1ccc(O)nc1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888850348 FQFRFNNVHJNMPL-GFCCVEGCSA-N 340.383 1.996 0 40 EDAB Cn1ccc(C(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)n1 1888853739 BBSFBKDJFFDHLT-LBPRGKRZSA-N 327.388 1.629 0 40 EDAB O=C(NC1CCOCC1)NC1CN(c2cc(C(F)(F)F)ccn2)C1 1889111401 NULLXRLQPWDNQL-UHFFFAOYSA-N 344.337 1.767 0 40 EDAB O=C(O)Cn1c(S)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 1889133851 HYVOOOPBGHTGSH-LLVKDONJSA-N 332.385 1.168 0 40 EDAB NC(=O)c1cc(OC2CN(C(=O)c3ccc4nccnc4c3)C2)ccn1 1889219210 OTCRUMGLHBMUEQ-UHFFFAOYSA-N 349.350 1.027 0 40 EDAB NC(=O)[C@@H]1CNCCN1C(=O)c1cccc(Oc2ccccc2)c1 1848353569 GSVBQTIUBWCMKJ-INIZCTEOSA-N 325.368 1.378 0 40 EDAB Cc1noc(C)c1CSCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 25316972 XPNXGTYHFPXASA-LLVKDONJSA-N 332.447 1.170 0 40 EDAB Fc1cnc(N2CCN(c3ccc(-c4ccccn4)nn3)CC2)nc1 1776008794 NOGMQDIKBRKNPO-UHFFFAOYSA-N 337.362 1.794 0 40 EDAB C[C@@H](OCc1ccccc1)C(=O)NCc1cccc(S(N)(=O)=O)c1 25272770 DGBBKGMPLKGIOP-CYBMUJFWSA-N 348.424 1.556 0 40 EDAB CC(C)C(=O)N1CC[C@]12CCCN(C(=O)c1ncc(Cl)cn1)C2 1614932627 CRANXOQQWXZVJX-INIZCTEOSA-N 336.823 1.993 0 40 EDAB COC1(CC(=O)N2CCC3(CC2)CC(NC(=O)N(C)C)C3)CCC1 1565544685 QQOIRNFOUYDHEX-UHFFFAOYSA-N 337.464 1.988 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@]2(OCCO)CCSC2)cc1C 1565523116 YRVLUXPBSMDODO-OAHLLOKOSA-N 345.486 1.466 0 40 EDAB O=C(C[C@@H](NCCCO)C(=O)O)Nc1ccccc1Br 5258456 PFSJYMDPVQPHBK-LLVKDONJSA-N 345.193 1.203 0 40 EDAB O=C1C[C@@H](CNS(=O)(=O)c2cccnc2)CN1c1ccc(F)cc1 8808612 GHORJGMFMNLVIA-LBPRGKRZSA-N 349.387 1.552 0 40 EDAB CC(C)NC(=O)c1noc2c1C[C@H](NC(=O)Cc1ccccn1)CC2 2055739044 JEXSNFZSQAYDOC-CYBMUJFWSA-N 342.399 1.424 0 40 EDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(Cc3cn[nH]c3)C2)C1 2055835340 DJUNRNNIKDIDNP-QGZVFWFLSA-N 340.387 1.554 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(c2ncc(Br)cc2F)CCO1 2086850154 IPPCMJBCELEMNZ-NSHDSACASA-N 344.184 1.467 0 40 EDAB O=S(=O)(CCOc1ccccc1)NCCn1ccn2nccc12 206747871 HNGUASMYDVNAAI-UHFFFAOYSA-N 334.401 1.134 0 40 EDAB Cc1nnc(N2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)s1 585606094 OWOOYJPIIGNEQN-UHFFFAOYSA-N 340.412 1.602 0 40 EDAB Cc1nnc(CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1C 2298188610 YYQPOHIEVQCONU-CYBMUJFWSA-N 341.406 1.593 0 40 EDAB CCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C[C@]23C=C[C@H]1O3 2145411 HJQFIYOXJTWIPH-YYAJDYIMSA-N 343.379 1.935 0 40 EDAB biogenic O=C(CN1CCN(CC2CC2)c2ccccc21)NC(=O)NC1CC1 72696380 PENRUQGFCVWRJU-UHFFFAOYSA-N 328.416 1.711 0 40 EDAB c1ccc(-n2nnnc2NCc2ccnc(N3CCOCC3)c2)cc1 26717269 XIYAOCJFZZXHEB-UHFFFAOYSA-N 337.387 1.506 0 40 EDAB CN(C)C(=O)CCCn1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)n1 104171483 YULXVFCJGSYWMM-CHWSQXEVSA-N 333.436 1.871 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2ccccc2Br)n(C)c1=O 93714 FQAKWEDHWDSSKX-UHFFFAOYSA-N 349.188 1.245 0 40 EDAB biogenic O=C(NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc[nH]c1=O 40108885 MUHZFSWSWKKVFI-HNNXBMFYSA-N 328.368 1.863 0 40 EDAB COC(=O)/C=C1\S[C@H](NC(=O)c2cccc(Cl)c2)NC1=O 502322 MSZRLYRLHLEPNM-OYVUYXNMSA-N 326.761 1.273 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1 45606454 LCJMIKLDIVEAKX-UHFFFAOYSA-N 341.415 1.338 0 40 EDAB COc1ccc(OC)c(CCC(=O)N2CCC[C@H]2C(=O)NC2CC2)c1 45749545 ZYLFSRBPIZAGHO-INIZCTEOSA-N 346.427 1.906 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)NCc1ccnc(-n2cccn2)c1 40525094 QWJXFEWUYLFVFU-SNVBAGLBSA-N 328.294 1.851 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)NCc3ccco3)cn2)CC1 40539899 CFMQQVSVBNTQNO-UHFFFAOYSA-N 343.431 1.816 0 40 EDAB CCCOC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 100846366 PHKUSXBBVSULHF-OLMMMNRUSA-N 327.380 1.922 0 40 EDAB biogenic C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)NC(N)=O 3522822 QEFOYRDIUCCUKF-VIFPVBQESA-N 342.384 1.491 0 40 EDAB CCOC(=O)[C@@]1(O)CSc2nc3sc4c(c3c(=O)n21)CCC4 249426 WIPZYOHQUNVDHA-AWEZNQCLSA-N 338.410 1.261 0 40 EDAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NCc1ccco1 4165746 KSAKMAVMDRNNOG-UHFFFAOYSA-N 349.350 1.492 0 40 EDAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)N3CCCC3=O)c2O1 6032564 CAYNDNQACVFIAQ-UHFFFAOYSA-N 347.367 1.471 0 40 EDAB CC(C)N1C[C@H](C(=O)NCc2ccc(Cn3cncn3)cc2)CC1=O 46196431 ILWOWCZJNYZHEE-MRXNPFEDSA-N 341.415 1.200 0 40 EDAB CCCCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4cc(C)on4)C(=O)[C@H]13)O2 101427988 HAIBJUHUAJTFBZ-YSLLHCQFSA-N 331.372 1.186 0 40 EDAB CC(C)N(CCNC(=O)c1cccc(S(C)(=O)=O)c1)C(C)C 32244150 KTQOSTYXKNQAOK-UHFFFAOYSA-N 326.462 1.939 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCOCC1 6333060 JVKJTOBUOYRTEW-UHFFFAOYSA-N 339.417 1.335 0 40 EDAB COc1cccc(-c2nnn(CC(=O)Nc3ccnn3C(C)C)n2)c1 69571302 HCDKXHMOTSSOJG-UHFFFAOYSA-N 341.375 1.765 0 40 EDAB Cc1ccc(NC(=O)Cc2noc(CCN3C(=O)CCC3=O)n2)cc1 69744195 PVKKBQTWJRBLIW-UHFFFAOYSA-N 342.355 1.251 0 40 EDAB Cc1nc(S[C@H](C)C(=O)NCc2ccco2)sc1CC(N)=O 37133037 ZADYNOUBXZNTRR-SECBINFHSA-N 339.442 1.869 0 40 EDAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)cn1 32827168 RGJCTOMIUYTAGW-UHFFFAOYSA-N 325.346 1.186 0 40 EDAB Cc1cnn(-c2ccc(NC(=O)N3CCN(CCO)CC3)cc2F)c1 89702526 NWWCMTRMXSGRLF-UHFFFAOYSA-N 347.394 1.462 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@H](C(N)=O)C1 60793993 DPURGQMJBAWVAR-AWEZNQCLSA-N 326.400 1.827 0 40 EDAB COC(=O)C1CCN(C(=O)[C@@H](OC(=O)C2CCC2)C(C)C)CC1 89775785 NVSMGDWRGIBOCS-AWEZNQCLSA-N 325.405 1.766 0 40 EDAB CCN1CCN([C@@H](C)CNC(=O)Cn2ccc(C(F)(F)F)n2)CC1 46946460 MGJRGHGVVVUFDV-LBPRGKRZSA-N 347.385 1.044 0 40 EDAB CCCCCS(=O)(=O)N1CCN(C(=O)C2[C@@H]3CCC[C@@H]23)CC1 104210633 BLSDTANSKHHAPZ-ZIAGYGMSSA-N 328.478 1.697 0 40 EDAB c1ccc2c(c1)nc1n2C2(CCCC2)N=C2NCN(n3cnnc3)CN21 20676426 BQBYIRHOXIVFGX-UHFFFAOYSA-N 349.402 1.187 0 40 EDAB CC(C)[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccccc1 23773543 IJKAEJVBHOYASV-DVQDXYAYSA-N 341.411 1.611 0 40 EDAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1nccs1 42757650 RQQNKQBEUJUTGB-UHFFFAOYSA-N 337.405 1.519 0 40 EDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2F)C1 34186012 DIBBTLKWSIYJAR-SNVBAGLBSA-N 333.356 1.929 0 40 EDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCN([C@@H](C)c2cccnc2)CC1 76040509 NISCCQJZSJUFNG-STQMWFEESA-N 344.381 1.827 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)N[C@H]1CCCN(c2ncccn2)C1 43049159 FDEYKXZHRDTTNF-JKSUJKDBSA-N 341.415 1.478 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 24472988 NVHKVUVIGZOVLM-CQSZACIVSA-N 349.822 1.832 0 40 EDAB CCc1cnc(N2CCN(CC(=O)Nc3nncs3)CC2)s1 76091382 AGBSKFMKDFSHAM-UHFFFAOYSA-N 338.462 1.318 0 40 EDAB C[C@H]1CN(CCNC(=O)NC[C@H](c2ccco2)N(C)C)C[C@@H](C)O1 106084569 DKKQNGKTJBBERR-QLFBSQMISA-N 338.452 1.291 0 40 EDAB C[C@H](Oc1cccc(Cl)c1)C(=O)OCC(=O)N1CCNC1=O 24960429 ULDVCTJJOSXDIF-VIFPVBQESA-N 326.736 1.202 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106541272 XZICHYPWVZXLCR-KKUMJFAQSA-N 336.457 1.819 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2C[C@@H](O)CN2CCC(C)CC2)n1 106666272 SBEPHVHEECAHFG-MSOLQXFVSA-N 335.496 1.452 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCCc2ccccc2F)C1 43480703 HCWWPKCVYOFBEO-CYBMUJFWSA-N 343.424 1.091 0 40 EDAB Cn1c(=O)ccn(CC(=O)N2CCCCC[C@@H]2c2ccco2)c1=O 76496511 HOGDGHUDRUVJHO-CYBMUJFWSA-N 331.372 1.284 0 40 EDAB CC[C@@H]1CN(CC(=O)NCc2ccc(OC)cc2)CCN1C[C@H](C)O 106906674 RHYFBDFSTHMAJL-DOTOQJQBSA-N 349.475 1.088 0 40 EDAB CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)S(=O)(=O)O 3117186 OBMIKLNMRLKNQU-SECBINFHSA-N 330.189 1.468 0 40 EDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCOC2)c1 56130097 XPVQEWGYODVSHA-SNVBAGLBSA-N 347.820 1.832 0 40 EDAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)OC 25714930 OMYZWZIHAIYAMA-LBPRGKRZSA-N 339.417 1.304 0 40 EDAB COC(=O)CCCNC(=O)c1cc(I)c[nH]1 115321720 NHMKIFIUYZEIPY-UHFFFAOYSA-N 336.129 1.302 0 40 EDAB CCCNC(=O)COC(=O)c1ccc(I)cc1 3293960 FTRPLPBPNKTDBO-UHFFFAOYSA-N 347.152 1.974 0 40 EDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(N)s1 7536086 OUSJFLMWSUZBBU-NSHDSACASA-N 336.442 1.529 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)CCNS(=O)(=O)c1ccccc1 58245317 PJJCKGNIIBJDRN-CQSZACIVSA-N 340.445 1.240 0 40 EDAB CC(C)(C(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)OCCO2 58379021 DRZJCRCANGIJHG-UHFFFAOYSA-N 332.400 1.459 0 40 EDAB C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCCC[C@H]1C 58403893 OZCXPIOVTVCLRO-NEPJUHHUSA-N 328.409 1.894 0 40 EDAB CC(C)[C@H](CNS(=O)(=O)Cc1ccccc1)N1CCOCC1 12782756 QMOFYSPILZXEOE-INIZCTEOSA-N 326.462 1.463 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(-n2cnnn2)cc1 48237272 VWOMXDNONYIMPC-SNVBAGLBSA-N 326.316 1.012 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)C(=O)NC1CCCC1 48309408 DUTQKLWNADPULW-LLVKDONJSA-N 328.409 1.860 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC1CCCCC1 3563596 ZWEMRHFLMJCELT-IBGZPJMESA-N 341.411 1.829 0 40 EDAB O=C(O)c1cc2c(cc1NS(=O)(=O)c1ccccc1)OCCO2 13090196 XYKWYOAAFMKHNL-UHFFFAOYSA-N 335.337 1.957 0 40 EDAB CS(=O)(=O)CCN1CCC(NC(=O)c2ccc3cc[nH]c3c2)CC1 68508711 YNJOWCKTBSFEKN-UHFFFAOYSA-N 349.456 1.407 0 40 EDAB CC(C)CNC(=O)CNC(=O)Nc1cccc(CN2CCCC2=O)c1 64697980 XXASZBYTWOXKHH-UHFFFAOYSA-N 346.431 1.703 0 40 EDAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N1CCCC1 6219391 KDOXJAAUWCHFQD-HNNXBMFYSA-N 340.383 1.253 0 40 EDAB Cc1nc2ccccc2n1CCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 5209807 ULDAOFRNQJKSKL-ZDUSSCGKSA-N 335.429 1.380 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)N[C@H](C)Cn2cccn2)c1 65414265 AAZHGLKMNCUTLI-DOMZBBRYSA-N 348.403 1.322 0 40 EDAB COc1ccc(CC(=O)N[C@H](C)c2nnc3n2CCC3)c(OC)c1 65591683 QCBMVJRUYMSMAV-LLVKDONJSA-N 330.388 1.661 0 40 EDAB CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1cccc(F)c1 65531479 TZGHPHPMUMWNFL-CYBMUJFWSA-N 346.449 1.756 0 40 EDAB CCOCCN(CC(=O)NCc1ccco1)C[C@@H](C)C(=O)OC 65533618 BAVLWUKJGYTLAW-CYBMUJFWSA-N 326.393 1.043 0 40 EDAB CC[C@H](C)NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O 4513980 MQNCJXDKMNXNKV-GTNSWQLSSA-N 335.379 1.898 0 40 EDAB CCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1N1CCOCC1 65615154 WKACPRNDSWCOSK-HNNXBMFYSA-N 349.456 1.773 0 40 EDAB CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)c(C)c1 8225366 TXRDHOJGSWTZFC-UHFFFAOYSA-N 335.223 1.124 0 40 EDAB COCCN1C(=O)[C@H]2Cc3cc(OC)c(OC)cc3CN2C1=S 4761219 GBDZFYUDLXQVQV-GFCCVEGCSA-N 336.413 1.204 0 40 EDAB COc1ccc(CNC(=O)CNCC(C)(C)N2CCOCC2)cc1 69351484 VKJUWOACJJGHFL-UHFFFAOYSA-N 335.448 1.012 0 40 EDAB Cc1cc(C)cc(N(CC(=O)O)S(=O)(=O)c2c(C)n[nH]c2C)c1 6948319 SIAOFIAFIQUTBX-UHFFFAOYSA-N 337.401 1.923 0 40 EDAB CN(CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 6996027 NXVWKBJMEKCENZ-KRWDZBQOSA-N 346.452 1.922 0 40 EDAB Cc1ccn2ncc(C(=O)NS(=O)(=O)c3ccc(F)cc3)c2n1 69704602 UIXRCYMGTDXFOJ-UHFFFAOYSA-N 334.332 1.296 0 40 EDAB CCc1nc(CN2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)cs1 69878736 BKZYAVXPLVGTMZ-CYBMUJFWSA-N 348.476 1.593 0 40 EDAB CCc1nc(NC(=O)CN2CCN(CCOC)[C@H](C)C2)sc1C 69840670 CNRAYUYOJWTXJT-GFCCVEGCSA-N 340.493 1.605 0 40 EDAB O=C(Cc1noc2ccccc12)N1CCCN(c2cccnn2)CC1 69947734 NSQABXOOBPGJQW-UHFFFAOYSA-N 337.383 1.899 0 40 EDAB O=C(C1CCOCC1)N1CCN(S(=O)(=O)c2cccs2)CC1 8772294 BIRHNEHWFLBMIE-UHFFFAOYSA-N 344.458 1.008 0 40 EDAB COc1ccc(Cn2nnnc2SCC(=O)N2CCCCC2)cc1 8708830 VGOGDCIKORGBFZ-UHFFFAOYSA-N 347.444 1.835 0 40 EDAB C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1nccn1CC(F)(F)F 71908267 CZFBDYKIZVFWQN-NWDGAFQWSA-N 348.369 1.561 0 40 EDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1Br 8877176 FUZFLPVOBRPROG-VIFPVBQESA-N 333.207 1.088 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)N1CC(=O)Nc2ccccc21 9041700 FKLNZFUVLRIIDI-NSHDSACASA-N 337.401 1.449 0 40 EDAB C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCc2cccc(CN(C)C)c2)CC1=O 78894578 UKJUJHBLGFEQSH-KBRIMQKVSA-N 344.459 1.557 0 40 EDAB C[C@@H]1CCCN(C(=O)CN[C@@H](CO)c2cc(F)c(F)c(F)c2)C1 96006498 MOQLHKMCZAGJOO-YGRLFVJLSA-N 330.350 1.985 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H](O)c2ccsc2)[nH]n1 78988206 QPZPIZBXWIPCSA-AWEZNQCLSA-N 345.428 1.952 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N1CCC[C@@H]1c1ccsc1 71803260 IVNIIZYIPGLELG-CYBMUJFWSA-N 345.490 1.924 0 40 EDAB C[C@H]1CN(CC(=O)NCc2ccccc2Cl)CCN1C[C@@H](C)O 71864228 KRBSFJLOSAURIM-UONOGXRCSA-N 339.867 1.343 0 40 EDAB Cc1nc(C)c(CC(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c(=O)[nH]1 71827163 PDEOPOYGKCVBFI-SJKOYZFVSA-N 341.411 1.918 0 40 EDAB CCc1nnc2n1CCN(C(=O)COc1ccc3c(c1)CCC3)C2 71864838 PDKHZDWLXQLLKU-UHFFFAOYSA-N 326.400 1.750 0 40 EDAB C[C@H]1CN(C(=O)C2CCN(Cc3nnc(C4CC4)o3)CC2)C[C@@H](C)O1 71824729 NVZWXVGFJKCBKV-BETUJISGSA-N 348.447 1.795 0 40 EDAB CC(C)(CNC(=O)C1CC(=O)NC(=O)C1)c1ccc(F)cc1Cl 72281890 JHOJRPRSISRLDM-UHFFFAOYSA-N 340.782 1.926 0 40 EDAB C[C@@H](NC(=O)NCCN(C)C1CCCC1)c1nnc2ccccn12 72274024 PTMDNLIQEBZJBR-CYBMUJFWSA-N 330.436 1.964 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)Cc1nn(C)c(=O)c2ccccc12 72402679 FRYFCNDRWFTGIE-UHFFFAOYSA-N 339.399 1.143 0 40 EDAB COc1cc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)ccc1NC(C)=O 84796823 LAALVJWVQCLXKW-HNNXBMFYSA-N 345.399 1.993 0 40 EDAB O=C([C@H]1CCCN1C1CCOCC1)N1CCC(n2cccn2)CC1 95438428 NRNPIXACZJJOSL-QGZVFWFLSA-N 332.448 1.690 0 40 EDAB Cc1nn(C)c(C)c1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 88236725 TYPKITYSPJRLHR-ZDUSSCGKSA-N 348.353 1.850 0 40 EDAB CN(Cc1ncnn1C)C(=O)NCc1ncc(-c2ccccc2)o1 73745284 HRGPGSSVYHYNIA-UHFFFAOYSA-N 326.360 1.812 0 40 EDAB COC(=O)CN1CCCN(Cc2c[nH]nc2-c2ccccc2)CC1 95982754 SXMGIFSFHCBHQY-UHFFFAOYSA-N 328.416 1.757 0 40 EDAB Cn1cc(S(=O)(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1 95984248 GIDWQMULFXINGD-KGLIPLIRSA-N 341.820 1.882 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1 95965387 BLIRDUKADJTSMI-HNNXBMFYSA-N 327.384 1.843 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)CCn1cnc2ccccc2c1=O 89532395 AHLKXHVGDLCKGW-UHFFFAOYSA-N 347.396 1.616 0 40 EDAB CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(-c2ccncc2)[nH]c1=O 75143444 ZSSSUIMYGZUVKC-QGZVFWFLSA-N 340.427 1.849 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)c2ccc3ncsc3c2)CC1 24776805 YFJGNZOVYRPCCN-UHFFFAOYSA-N 339.442 1.404 0 40 EDAB CCOc1ccc(-n2ncc(C(=O)N[C@@H](C)[C@H]3CCCO3)c2C)nn1 27889159 HUEYSDAGCYJOPG-SMDDNHRTSA-N 345.403 1.667 0 40 EDAB Cn1c(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)n[nH]c1=S 67050167 UMWAKFMFICCPBO-UHFFFAOYSA-N 348.428 1.843 0 40 EDAB COC(=O)CCN(C(=O)CCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 32641464 DDHBDZAGSZCUTK-CQSZACIVSA-N 345.461 1.536 0 40 EDAB CCNS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 76997727 QSHPNPWLDJICMX-HZPDHXFCSA-N 338.473 1.969 0 40 EDAB CCN1CN(C(=O)Cc2ccc(OC)c(OC(F)F)c2)CC1=O 529159879 JVDLMVFMSGLCPL-UHFFFAOYSA-N 328.315 1.487 0 40 EDAB Cc1cccc(NC(=O)Cn2c(=O)c3ccccc3n3nncc23)c1 5035248 KNJVVZVDVWPJGM-UHFFFAOYSA-N 333.351 1.991 0 40 EDAB COc1ccc(CCNC(=O)c2cc(=O)c(OC)cn2C)cc1OC 70666204 DQWHBWJVNLNCFI-UHFFFAOYSA-N 346.383 1.384 0 40 EDAB biogenic COCCNc1ccc(C[C@H]2CCCN(c3ncccn3)C2)nn1 72387278 MIWHALCAKDIROI-CQSZACIVSA-N 328.420 1.784 0 40 EDAB CCN(C(=O)NCc1ccc(C)nc1OC)[C@H](C)CS(C)(=O)=O 79036343 CDXQKYKXXHAWQS-GFCCVEGCSA-N 343.449 1.363 0 40 EDAB Cc1cc(Nc2ncccc2C)nc([C@H]2CCN(S(C)(=O)=O)C2)n1 72382480 OGHSTSJHYXLBDR-ZDUSSCGKSA-N 347.444 1.981 0 40 EDAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1nc(Cc2ccccc2)no1 79097429 YURRAAXUXJEILL-QWHCGFSZSA-N 337.445 1.914 0 40 EDAB CCc1noc(CC)c1CC(=O)N1CCNC[C@H]1c1ccncc1 562964821 CIRRRFGBTFINOJ-INIZCTEOSA-N 328.416 1.910 0 40 EDAB C[C@]1(C(=O)NCCn2ccnc2)Oc2ccc(Cl)cc2NC1=O 41548702 PULAIVCFRWIAMD-OAHLLOKOSA-N 334.763 1.443 0 40 EDAB O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc[nH]1 61597110 DHXHJWTYYONKTM-UHFFFAOYSA-N 347.440 1.845 0 40 EDAB CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCc3cc(F)ccc32)O1 225790190 OPASRRKFAPWWNQ-ZFWWWQNUSA-N 335.379 1.534 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N(C)c2ccc(OC)cc2)CC1 222612415 SKPTUDOKWLPEDK-UHFFFAOYSA-N 340.445 1.720 0 40 EDAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)NCc3ccncc3)cc21 49659643 RLUBMGFIKJCFSL-UHFFFAOYSA-N 331.397 1.790 0 40 EDAB Cc1nc(CN2CCC(CNc3ncncc3C(=O)O)CC2)oc1C 570849050 ODAMFSUGYOQGMD-UHFFFAOYSA-N 345.403 2.104 0 40 EDAB CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCO 223045586 SUPQSRYNIDVLDX-LJQANCHMSA-N 340.423 1.755 0 40 EDAB CN(CCc1cnccn1)S(=O)(=O)Cc1ccc(C(=O)O)cc1 575865077 KCQSNJYFOLZFNH-UHFFFAOYSA-N 335.385 1.179 0 40 EDAB Cn1ncc2c1C[C@H](C(=O)N1CCN(c3cncc(F)c3)CC1)CC2 581320222 XFLKWYMYPBGZDG-CYBMUJFWSA-N 343.406 1.408 0 40 EDAB O=C(C1CC=CC1)N1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96159428 QLDDPQFHYPRAFE-LJQANCHMSA-N 325.412 1.999 0 40 EDAB O=C(NC[C@H]1Cc2ccccc21)N1CCCN(C(=O)C2CC2)CC1 97103020 YPZAGEIVUVHQMG-MRXNPFEDSA-N 327.428 1.980 0 40 EDAB O=C(C1CCOCC1)N1CC[C@]2(CCCN(c3ncccn3)C2)C1 96047169 DCABXPGWERYLGT-GOSISDBHSA-N 330.432 1.722 0 40 EDAB COc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 530487913 KADQTWJOHNQUSH-UHFFFAOYSA-N 339.373 1.545 0 40 EDAB CCCS(=O)(=O)N1CCC2(CC1)CN(Cc1ccccc1)C2=O 96202910 HZRVDKHYRYLCBD-UHFFFAOYSA-N 336.457 1.851 0 40 EDAB C[C@@H](C(=O)N1CCCCC1)N1CCN(C(=O)Cc2cccnc2)CC1 96449100 HQBQCVBPMYEBSN-INIZCTEOSA-N 344.459 1.169 0 40 EDAB Cn1ccnc1CNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 96426400 ZABPASXAJSJQMQ-INIZCTEOSA-N 332.379 1.249 0 40 EDAB Cn1cnc(C(=O)N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 96072493 SNBMBQTYEFKAQG-WMLDXEAASA-N 328.372 1.268 0 40 EDAB Cc1cnc(N2CCC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)nc1 96222557 IXUULKUASZXHNM-WMLDXEAASA-N 327.388 1.782 0 40 EDAB CN(CC(F)(F)F)C(=O)CNC(=O)c1c(O)cc(F)cc1F 96439630 RIRBIVLQDOQYQP-UHFFFAOYSA-N 326.221 1.421 0 40 EDAB O=C(O)c1cn(C2CCN(C(=O)c3cccc4c3CCC4)CC2)nn1 580097666 VUEIKYHYBVQHDZ-UHFFFAOYSA-N 340.383 1.942 0 40 EDAB C[C@H]1CN(S(=O)(=O)N(CCc2cccc(F)c2)C2CC2)CCO1 96428017 JNPXLQJDRZEVTA-ZDUSSCGKSA-N 342.436 1.798 0 40 EDAB CCS(=O)(=O)N1CC[C@@]2(C[C@H](N(C)Cc3ccccn3)CO2)C1 96219925 RBWUJCUZGCXSSQ-JKSUJKDBSA-N 339.461 1.097 0 40 EDAB O=C(CCc1cc(F)ccc1F)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617700 GQAJCKWEBTWMTB-INIZCTEOSA-N 336.342 1.526 0 40 EDAB CO[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)N(C)C1 583616349 ZNAHIGBKLNKJCQ-HOTGVXAUSA-N 331.416 1.149 0 40 EDAB Cc1cccc(OCCC(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)c1 583617658 AHSUYGFCMQTRCV-QGZVFWFLSA-N 330.388 1.392 0 40 EDAB CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)C3=CCCCC3)C2)C1 96107913 SQSBZNIGUCBDEF-GDBMZVCRSA-N 342.461 1.186 0 40 EDAB CCN1CCC[C@H]1CNC(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 95478741 VLSASKSUWQIJDW-ZDUSSCGKSA-N 330.436 1.641 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)n1 96107381 KPIPYTDJLBLQPL-KDOFPFPSSA-N 342.399 1.658 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[C@@H](Oc2cccnn2)C1 244933256 CJJYMCAXIGVPQP-OGHNNQOOSA-N 341.367 1.685 0 40 EDAB COc1cc(N2CC3(C[C@H](OCc4ccncc4)CCO3)C2)ncn1 247925972 ZNPHKHPFSOXIGI-OAHLLOKOSA-N 342.399 1.835 0 40 EDAB Cc1noc(CCNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1 248699474 AAJMVVGOXDKONI-CZUORRHYSA-N 343.431 1.740 0 40 EDAB O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccoc1)c1ccnnc1 247489390 LWFRJOUVZXAJPX-XIRDDKMYSA-N 342.399 1.479 0 40 EDAB CCc1noc(CCC(=O)N2CCO[C@H](c3ccnc(C)c3)C2)n1 257269762 MRHDHFMFSWTXDY-AWEZNQCLSA-N 330.388 1.868 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257294286 QTKIBJWNIZHRQB-KBPBESRZSA-N 329.356 1.450 0 40 EDAB O=C(N[C@@H]1CCN(C(=O)COc2ccccc2)C1)[C@H]1CCCOC1 252502837 UULGPUNRIAOYIW-LSDHHAIUSA-N 332.400 1.209 0 40 EDAB COC(=O)C1(CNC(=O)c2cccc(S(=O)(=O)C(F)F)c2)CC1 585087397 SQWGGKVLOPZBKR-UHFFFAOYSA-N 347.339 1.366 0 40 EDAB COc1cc(/C=C/C(=O)N2CC[C@H](C(N)=O)C2)cc(Cl)c1OC 41126653 WTEYNTCNBGSGPI-UFFNRZRYSA-N 338.791 1.704 0 40 EDAB Cc1ccccc1C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 585129159 ZQXCLYNABNTUTN-HNNXBMFYSA-N 336.457 1.330 0 40 EDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)Cn2cnc3ccccc32)[C@H]1O 257201751 AIXBCDUYVPZSPV-QGPMSJSTSA-N 339.399 1.422 0 40 EDAB CN(C(=O)CCCn1cncn1)[C@@H]1CCCC[C@@H](n2ccnc2)[C@@H]1O 257215115 COTIIVQZUPXKER-BFYDXBDKSA-N 346.435 1.258 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 257318783 VPISKXKUWVBVCN-AWEZNQCLSA-N 325.434 1.739 0 40 EDAB Cc1noc(C)c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C(N)=O)C1 257269503 MQGNWJZEFDHRKZ-OAHLLOKOSA-N 342.399 1.103 0 40 EDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2ncncc2C1 592588825 DAEZDUILIGYOKU-RHSMWYFYSA-N 339.395 1.482 0 40 EDAB COC(=O)c1cnn(CC(=O)N2CCC(c3ccc(C)nc3)CC2)c1 599746992 FRHJJJKBQAUMCI-UHFFFAOYSA-N 342.399 1.779 0 40 EDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2ccccc2)Cc2ccnn21 585112582 TVSHWYNFGPVQMX-KRWDZBQOSA-N 348.472 1.769 0 40 EDAB CC(C)(C(=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1)n1cncn1 585280457 IWHZYKQRGGZXRX-HZPDHXFCSA-N 328.416 1.465 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2ccc(F)cc2)C1 44709379 NXOKVOSKKMJBGW-OCCSQVGLSA-N 327.377 1.160 0 40 EDAB COC(=O)c1cc(CN(C)C(=O)[C@@H](C)NC(=O)c2ccoc2)oc1C 44973695 SCNWWXJTQQDRKW-SNVBAGLBSA-N 348.355 1.745 0 40 EDAB Cc1cccc(-n2nnc(C(=O)N[C@H](C(N)=O)c3ccccc3)c2C)c1 54150262 XSDFJFYLZFCMDG-KRWDZBQOSA-N 349.394 1.841 0 40 EDAB COc1ccccc1N1CC[C@@H](CNC(=O)NC[C@@H]2CCCO2)C1 65590413 YWQKQMOYZXQYHN-GJZGRUSLSA-N 333.432 2.000 0 40 EDAB Cc1ncc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)s1 65548302 YESTVVMMHJHJAF-UHFFFAOYSA-N 336.438 1.956 0 40 EDAB O=C(CN1CCc2cncnc2C1)NCCc1c[nH]c2ccccc12 69489424 WPBPBNBIAJCEKI-UHFFFAOYSA-N 335.411 1.675 0 40 EDAB C[C@H](Cn1cccn1)Nc1ncnc2c1c(Br)nn2C 65624352 WSEXTKRAJPJCSC-MRVPVSSYSA-N 336.197 1.823 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3nccnc3N)C2)nc1 57201190 UUNGQHWUNWDLRL-LBPRGKRZSA-N 340.387 1.253 0 40 EDAB COc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3nc(C)no3)C2)c1 69655475 VVKUQQDDBRZDAM-GFCCVEGCSA-N 344.371 1.731 0 40 EDAB O=C(NS(=O)(=O)N1CCc2ccccc21)c1ccc2c(c1)COC2 69628774 DCMAHQAZGYOYBR-UHFFFAOYSA-N 344.392 1.754 0 40 EDAB COCc1ccccc1NC(=O)C(=O)NCCN1CCCCCC1=O 69519926 ARUJSXFSIZUEFH-UHFFFAOYSA-N 347.415 1.290 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 69601673 OGIWXQQKFXXKRY-AWEZNQCLSA-N 336.457 1.922 0 40 EDAB COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(Br)c(F)c1 185537396 MTQSGKMXXUVTPL-BXKDBHETSA-N 332.169 1.696 0 40 EDAB CCC1(CO)CCN(C(=O)[C@@]2(N)CCc3c(OC)cccc32)CC1 1615547804 QCSXKUIKCNJYSU-LJQANCHMSA-N 332.444 1.807 0 40 EDAB NC1(C(=O)N2CCC[C@](O)(c3ccccc3)C2)Cc2ccccc2C1 1616039362 LMTVTFOAKKDBFC-OAQYLSRUSA-N 336.435 1.993 0 40 EDAB COCCN1C(=O)CC2(CCN(C(=O)C(C)(C)C)CC2)n2nccc21 1772596228 YYZWKLKWTXULGC-UHFFFAOYSA-N 348.447 1.630 0 40 EDAB CC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(C4CCCC4)n3)CO[C@H]12 5433970 PISJIGRRODLCIE-CAOSSQGBSA-N 332.404 1.217 0 40 EDAB biogenic,in-vitro CCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 5978999 ISLKTCKDKJMDAX-STQMWFEESA-N 342.461 1.975 0 40 EDAB COCC(=O)NCC[C@@H]1CCCCN1C(=O)c1sc(C)nc1C 19748985 MATIXXROASVIAH-ZDUSSCGKSA-N 339.461 1.907 0 40 EDAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)O 5258963 GRVGHRORELXGGM-NOZJJQNGSA-N 329.374 1.235 0 40 EDAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)NC(C)C)cnc21 4479074 LPNFFJTXOCIHHX-UHFFFAOYSA-N 325.372 1.415 0 40 EDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1cccc(F)c1 5056465 JDJHCZIKQZOSEC-UHFFFAOYSA-N 327.319 1.123 0 40 EDAB CC(C)(C)CC(=O)NCCS(=O)(=O)N1CCc2ccccc2C1 10704885 VXHHAEFOKREVAL-UHFFFAOYSA-N 338.473 1.927 0 40 EDAB O=C(Cn1nc2c(c1NC(=O)C1CC1)CSC2)NCc1ccco1 23139280 JKKKFJHYLIJAJD-UHFFFAOYSA-N 346.412 1.888 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCc2ccc3nc[nH]c3c2)ccc1F 575414433 HCKAXWKPOYPPTC-UHFFFAOYSA-N 349.343 1.879 0 40 EDAB C[C@H](NC(=O)NCCNc1ncccc1C(F)(F)F)C(=O)N(C)C 50145303 ULXGYRDBIGQBLI-VIFPVBQESA-N 347.341 1.288 0 40 EDAB O=c1c(Br)c(N2CCOCC2)cnn1-c1ccccc1 147920 HHIGEMSQAJOBTL-UHFFFAOYSA-N 336.189 1.832 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2nc(CC(C)C)no2)c2ccccc2O1 40490097 TWPCNJBIPFVWLU-AWEZNQCLSA-N 330.388 1.782 0 40 EDAB O=C(C1CCC1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 31594288 DZGWLSTTYCZOKP-UHFFFAOYSA-N 340.420 1.895 0 40 EDAB CCn1nc(C)c(S(=O)(=O)NC[C@@H](C)Cn2nccc2C)c1C 36614596 CAIVWDINTRLHMM-LLVKDONJSA-N 339.465 1.639 0 40 EDAB C[C@@](O)(CNC(=O)c1ccc(Br)cc1Cl)C(=O)O 90275479 XXTJUJBNENIJOJ-LLVKDONJSA-N 336.569 1.668 0 40 EDAB COc1cccc([C@H](CNC(=O)[C@@H](C)n2cncn2)N2CCCC2)c1 45872384 CNSHQIUGEXNCDP-PBHICJAKSA-N 343.431 1.801 0 40 EDAB COc1ccc(/C=C/C(O)=C2\C(=O)NC(=O)N(C)C2=O)c(OC)c1 101387538 STUAGUSRWNJDMJ-CZQYEKOJSA-N 332.312 1.237 0 40 EDAB Cc1nn(C)cc1C1=NO[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 101343625 DYIUTIGOPBOTGM-JSGCOSHPSA-N 344.758 1.674 0 40 EDAB O=S(=O)(Cc1cccc2cccnc12)N1CCC2(CC1)OCCO2 69700955 MDBCRELFRDQVQF-UHFFFAOYSA-N 348.424 1.904 0 40 EDAB NS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCc3ccccc3C2)cc1 69452308 WSDPGJWYDQQIBV-INIZCTEOSA-N 344.436 1.550 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCCNC(=O)CC1CCCC1 69593626 SGDABUDSARWTOL-UHFFFAOYSA-N 331.416 1.229 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O 32865609 YAOZGZCDAOQKQP-INIZCTEOSA-N 326.400 1.018 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N[C@@H](C)c1ccccc1F 32895580 PDILCQYSKROFNP-VIFPVBQESA-N 341.364 1.765 0 40 EDAB CCCCNC(=O)C1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 29928230 GDSLPONHTQOTPM-LBPRGKRZSA-N 349.483 1.209 0 40 EDAB Cc1ccc(-c2nc(C)c(C(=O)NCCNS(C)(=O)=O)s2)o1 32966125 RSCJIDFGUJEWSG-UHFFFAOYSA-N 343.430 1.299 0 40 EDAB Cc1ccc(CCC(=O)NCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 69700734 UDGQAIOVOIYJJI-GOEBONIOSA-N 345.443 1.156 0 40 EDAB COCCn1nnnc1[C@H](c1ccc(F)cc1)N1CCC(O)CC1 57613928 OYVGCBCSBQWPSZ-HNNXBMFYSA-N 335.383 1.005 0 40 EDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 9050798 KZEXSODEJBCMJQ-HUUCEWRRSA-N 346.427 1.773 0 40 EDAB CCN1CCC[C@H]1CNC(=O)Cc1nn(C)c(=O)c2ccccc12 52819818 VSWIRZOHBZULJO-ZDUSSCGKSA-N 328.416 1.077 0 40 EDAB CN1C[C@H](C(=O)NCc2ccnc(OCc3ccccc3)c2)CC1=O 46851892 IGMCLNIPFXSTBQ-MRXNPFEDSA-N 339.395 1.755 0 40 EDAB O=C(Cc1ccc(Cl)cc1)NN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 102602396 RJIZTXJEPYRSSO-RFHZTLPTSA-N 334.759 1.076 0 40 EDAB C[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1F 42324242 GNJLVZZDHXMWRX-UWVGGRQHSA-N 332.372 1.760 0 40 EDAB CC(=O)Nc1cc(C(=O)Nc2cnn(CCN(C)C)c2)ccc1C 61635120 SMTYVDFDFWJVDD-UHFFFAOYSA-N 329.404 1.964 0 40 EDAB C[C@@H](NC(=O)NCc1cccnc1)c1ccc2c(c1)NC(=O)CO2 47597051 MKTQQRGTKXPQMJ-LLVKDONJSA-N 326.356 1.973 0 40 EDAB COc1ccc(OC)c2c1CN(CCCc1cnn(C)c1)C[C@@H]2O 54317006 LNFAUOFBMAMCQP-HNNXBMFYSA-N 331.416 1.919 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC12CC3CC(CC(C3)C1)C2 54376800 BNDMQDPEFVNJIN-UHFFFAOYSA-N 331.416 1.389 0 40 EDAB COCCN(CCOC)CC(=O)Nc1ccc2c(c1)CCN2C(C)=O 23329983 JJUYHVMZBNIDTB-UHFFFAOYSA-N 349.431 1.129 0 40 EDAB Cc1nn(C)cc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 108536546 LHKIMAVKYRDURP-MJGOQNOKSA-N 346.475 1.580 0 40 EDAB Cc1c(C2=NO[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cnn1C 101500072 FGRPOPUDVUSKGM-GXTWGEPZSA-N 328.303 1.160 0 40 EDAB CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccccc1C 24258509 SERMMPIZPHODBJ-ZDUSSCGKSA-N 330.475 1.995 0 40 EDAB O=C1COc2cc(C(=O)NCc3cccnc3-n3cccn3)ccc2N1 24589777 LDROOOGDCJLYLQ-UHFFFAOYSA-N 349.350 1.528 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 24831140 FFRVHHCFDMDLHW-VXGBXAGGSA-N 349.456 1.402 0 40 EDAB CC(C)C[C@@H](CNS(=O)(=O)c1cccs1)N1CCOCC1 24925645 IVZDOZDOKPPVMR-ZDUSSCGKSA-N 332.491 1.773 0 40 EDAB CCc1ccc(C(=O)N2CCN(C(=O)c3nccnc3N)CC2)cc1 25468775 ZHEPDNWWSNOALW-UHFFFAOYSA-N 339.399 1.219 0 40 EDAB COc1cc(C(=O)NCCNC(=O)C2CC2)cc(Cl)c1OC 25695699 GJDDGJXOTVXPDL-UHFFFAOYSA-N 326.780 1.613 0 40 EDAB COc1cc2c(cc1OC)CCN(C(=O)c1cnn(C)c1C)CC2 56462557 YKSQIMVFCHKQEQ-UHFFFAOYSA-N 329.400 1.987 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN([C@H](C)c2cccnc2)C1 107503529 VQCHNVKDONZYNN-WBMJQRKESA-N 329.404 1.957 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)N[C@H]1CCN(C2CC2)C1 57553427 AYIDVKKOOLYMAV-ZDUSSCGKSA-N 331.416 1.168 0 40 EDAB C[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)n1cccn1 44669253 FCHIUDUHRRPLLP-PBHICJAKSA-N 346.406 1.773 0 40 EDAB COc1ccc(CCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 44893449 WZSYNJILZOZCTF-UHFFFAOYSA-N 340.445 1.168 0 40 EDAB COC(=O)CN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)C(C)(C)N2C1=O 2140356 VWZKKIYBOJPDDM-ZDUSSCGKSA-N 341.367 1.765 0 40 EDAB biogenic COc1ccc(OC)c(-n2nnnc2S[C@H](C)C(=O)NC2CC2)c1 58292905 NJMNQPJNYHIUBN-SECBINFHSA-N 349.416 1.439 0 40 EDAB COc1ccnc(N2CCCN(Cc3ncc(Cl)n3C)CC2)n1 58229120 AWFCQPHNAOVVBU-UHFFFAOYSA-N 336.827 1.584 0 40 EDAB Cc1ccccc1OCC(=O)NCCC(=O)NCc1cccnc1 58200923 NJDBIILHESMAKB-UHFFFAOYSA-N 327.384 1.592 0 40 EDAB CN1N=C(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)CCC1=O 58281751 OSGJXYQUKKCJPE-LBPRGKRZSA-N 343.305 1.463 0 40 EDAB CS(=O)(=O)Nc1cc(C(=O)NC2=NCCS2)ccc1Cl 58292871 OXBXFKJJQYLRNC-UHFFFAOYSA-N 333.822 1.544 0 40 EDAB Cc1noc(CS(=O)(=O)CC(=O)N[C@@H]2CCCc3ccccc32)n1 44938355 ZVCPJVPEUNURLD-CQSZACIVSA-N 349.412 1.487 0 40 EDAB CC(C)Oc1ccc(CNC(=O)c2cccc(S(N)(=O)=O)c2)cn1 48277212 SWWCFSHFOGSUNG-UHFFFAOYSA-N 349.412 1.446 0 40 EDAB C[C@@H](NC(=O)NCC(C)(C)N1CCOCC1)c1ccc2c(c1)OCO2 45113311 RQLQHKLOPZCKEF-CYBMUJFWSA-N 349.431 1.886 0 40 EDAB CCc1nnc(NC(=O)c2ccccc2CN2C(=O)CNC2=O)s1 10642428 SLYDURGMHRFBCN-UHFFFAOYSA-N 345.384 1.405 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc[n+]([O-])cc1 7681965 YABBBNCISOWIHP-UHFFFAOYSA-N 344.323 1.292 0 40 EDAB O=S(=O)(CCN1CCC(O)CC1)c1ccc(Br)cc1 12822261 GCSFWYZYIYSMGG-UHFFFAOYSA-N 348.262 1.680 0 40 EDAB in-vitro CS(=O)(=O)/N=C(\O)c1ccc(Cn2nnc3ccccc32)cc1 48480267 ZEBIANADRGPSLG-UHFFFAOYSA-N 330.369 1.744 0 40 EDAB CNC(=O)CN(C)C(=O)CCc1ccc(Br)cc1F 49463724 MAGHTLCXIJIAGU-UHFFFAOYSA-N 331.185 1.725 0 40 EDAB Cn1c(CNC(=O)[C@H]2COc3ccccc3O2)nc2cc(N)ccc21 13693327 DNFOVYULUBBNCO-MRXNPFEDSA-N 338.367 1.612 0 40 EDAB Cn1nnc2c(sc3nc(N4CCOCC4)c4c(c32)CCC4)c1=O 13692748 XHIUGWNJNGQRID-UHFFFAOYSA-N 343.412 1.264 0 40 EDAB Cc1ccc(C(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 6033796 WIBNOWIRBJNUFI-LBPRGKRZSA-N 340.383 1.494 0 40 EDAB COC[C@@H](C)NC(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 5059757 PEQWBUVJXDHIIL-VXGBXAGGSA-N 348.424 1.888 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)c1ccco1 6124695 YOYJKJIEPWCISB-UHFFFAOYSA-N 327.384 1.748 0 40 EDAB CC1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 4309183 PVWKGDHFMZYRKI-UHFFFAOYSA-N 327.287 1.557 0 40 EDAB COc1ccc(Cl)cc1NC(=O)COC(=O)C1=NNC(=O)CC1 4349293 PHMZTKQDHVYYDR-UHFFFAOYSA-N 339.735 1.096 0 40 EDAB Nc1nonc1C(=O)NCCNCc1ccc(-c2ccc(F)cc2)o1 4488485 MLUHOKMRGWMTNV-UHFFFAOYSA-N 345.334 1.571 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2cnc(C)cn2)C(N)=O)cc1 65521245 RDVPSJLNQYXNQA-AWEZNQCLSA-N 342.399 1.258 0 40 EDAB COc1ccc(NC(=O)N2CCC[C@H](CN3CCN(C)CC3)C2)cn1 65517153 YWDXWXXNANZZFD-OAHLLOKOSA-N 347.463 1.582 0 40 EDAB O=C(CN1C(=O)c2cccnc2C1=O)N[C@H]1CCCc2ccccc21 65537581 WXELEUDXCPEZNK-HNNXBMFYSA-N 335.363 1.871 0 40 EDAB COCC(=O)NC[C@H]1CO[C@@H]2CN(Cc3cc(C)ccc3C)C[C@H]12 306136470 PUHQYHKIDAOCTP-RCCFBDPRSA-N 332.444 1.513 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccco1 8155569 XLHNVVHXYZZZMU-SNVBAGLBSA-N 334.353 1.302 0 40 EDAB O=C(COn1nnc2ccccc21)Nc1ccc2c(c1)OCCO2 5404309 CBYNWJPAKMIMTR-UHFFFAOYSA-N 326.312 1.270 0 40 EDAB COc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cn1 6579397 FDNBGDFMHMUMIN-UHFFFAOYSA-N 336.351 1.948 0 40 EDAB Cc1cc(CS(=O)(=O)N2CCN(Cc3ccccn3)CC2)no1 69657444 UGUAQUQYWXTASS-UHFFFAOYSA-N 336.417 1.026 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)c3ccon3)CC2)C1 66422260 BVYVKCDZBCAIDD-ZIAGYGMSSA-N 334.420 1.127 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@H](n3cccn3)C2)CN1Cc1ccco1 69349255 GOAPTNCZHFUOEB-GJZGRUSLSA-N 342.399 1.688 0 40 EDAB CS(=O)(=O)NCCc1nc(-c2cccc(C(F)(F)F)c2)no1 69738181 WZVVKLZFJOMYIL-UHFFFAOYSA-N 335.307 1.847 0 40 EDAB CCCN1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 69949184 RDLCVFOIOSDJNN-UHFFFAOYSA-N 325.478 1.301 0 40 EDAB C[C@@H](CNC(=O)COCCOc1ccccc1)CN1CCOCC1 71915573 VNPWEICBJLXQRD-INIZCTEOSA-N 336.432 1.167 0 40 EDAB Cc1cccc(CS(=O)(=O)NC[C@@H](C)CN2CCOCC2)c1 71915803 YPJRLNSDAMVZGD-OAHLLOKOSA-N 326.462 1.383 0 40 EDAB CC(C)(C)[S@@](=O)CCNC(=O)C1CCN(c2cnccn2)CC1 71900770 ZKCZDYYFDCJIOZ-HSZRJFAPSA-N 338.477 1.356 0 40 EDAB CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O 8947015 KNIFIHCYFYJOMC-SFHVURJKSA-N 331.416 1.839 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CC)cc1C 408611403 WDADSLOYTJFQTO-STQMWFEESA-N 342.461 1.975 0 40 EDAB CN1CCO[C@H]2CN(Cc3ccc(Oc4cnccn4)cc3)C[C@@H]21 93642319 YXBCHZXCCWVHCR-IRXDYDNUSA-N 326.400 1.784 0 40 EDAB CS(=O)(=O)NCc1ccc(C(=O)NCc2ccc3c(c2)CCC3)o1 83987565 JGFAFSZOUNGBRE-UHFFFAOYSA-N 348.424 1.748 0 40 EDAB COc1ccc(N2CCC[C@H](C(=O)NCCc3ccco3)C2)nn1 96231047 APXVMLCIBXYFAF-ZDUSSCGKSA-N 330.388 1.654 0 40 EDAB CCCCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20487498 JCBZKQGMVKNIOX-AWEZNQCLSA-N 326.418 1.520 0 40 EDAB Cc1nc(S(=O)(=O)CCn2cccn2)n(C[C@@H]2CCCO2)c1C 96403463 RPTKHIFVACHAJM-AWEZNQCLSA-N 338.433 1.349 0 40 EDAB Cc1cc(C)c(C)c(OCCC(=O)NC[C@H]2CCS(=O)(=O)C2)c1 71884109 VJRGYJVLXYJVCR-OAHLLOKOSA-N 339.457 1.932 0 40 EDAB C[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)N1CCN(C)CC1 71867457 JFBWEUGEDQEEGA-HNNXBMFYSA-N 328.460 1.853 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)C[C@H]1NC(=O)N(c2ccc(F)cc2)C1=O 71817346 SVGJADSKQKFDHM-MISXGVKJSA-N 349.362 1.276 0 40 EDAB Cc1nc(CN2CCCN(CC(=O)N[C@@H](C)c3ccco3)CC2)no1 75603147 VTQUQAPZHIQMHS-ZDUSSCGKSA-N 347.419 1.356 0 40 EDAB NC(=O)c1ccccc1OCCOC(=O)c1cccc2cn[nH]c12 75611100 JLECVBMMZSVERK-UHFFFAOYSA-N 325.324 1.898 0 40 EDAB CCC(=O)N1CC[C@H](NCc2ccc(OCC(N)=O)cc2)[C@@H](C)C1 76057305 ARWFYFSPKXHOJN-BBRMVZONSA-N 333.432 1.287 0 40 EDAB O=C1CCc2cc(S(=O)(=O)N3CCN4CCC[C@@H]4C3)ccc2N1 72277743 NHGZTFFHILLOGS-CYBMUJFWSA-N 335.429 1.040 0 40 EDAB CN1C(=O)C[C@H](C(=O)N[C@@H]2CCc3nccn3C2)[C@H]1c1cccs1 72291331 YTDJWXOSGYAIKX-WQGACYEGSA-N 344.440 1.595 0 40 EDAB CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 97107371 YIOIEIDJAFMNAE-NVXWUHKLSA-N 336.457 1.806 0 40 EDAB Cn1cc(CNCC(=O)NCc2ccco2)c(-c2cccnc2)n1 97159872 CETVAYZTKZKXHQ-UHFFFAOYSA-N 325.372 1.481 0 40 EDAB CC(C)OC(=O)[C@H](C)CNS(=O)(=O)c1ccc2c(c1)OCCO2 72307404 CSYHSZBCRKNXIP-LLVKDONJSA-N 343.401 1.324 0 40 EDAB Cc1cn(CC(=O)N[C@H](CC(N)=O)C2CCOCC2)c2ccccc12 72310497 ZGSSHQKIKKRYIN-MRXNPFEDSA-N 343.427 1.737 0 40 EDAB CCN(C(=O)CN1CCCN(C(=O)c2cccc(F)c2)CC1)C1CC1 97254521 CJWTZNWJNFEWED-UHFFFAOYSA-N 347.434 1.985 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@H]1N1CCOCC1 84735765 VEQKUWILGNOYOK-QBIMZIAESA-N 348.418 1.698 0 40 EDAB Cn1c(N2CCC[C@H]2c2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C 95407736 ZKDVEOMJQJVYQN-LBPRGKRZSA-N 343.362 1.441 0 40 EDAB CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2ccc3c(c2)CCCC3)O1 95460101 FKGQUHGHGNZZRF-IAGOWNOFSA-N 330.428 1.931 0 40 EDAB CC(C)(CCCO)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 95459017 OCITYGAWFQVOLH-UHFFFAOYSA-N 349.474 1.167 0 40 EDAB Cc1cc(-n2cncn2)ccc1C(=O)OCc1nnc(C2CC2)n1C 95405273 WAQVHUSUXKJNDK-UHFFFAOYSA-N 338.371 1.939 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](O)c1c(F)cccc1F 95972893 UVQMOFAQGGONMS-LBPRGKRZSA-N 345.371 1.327 0 40 EDAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(N)=O)c2C)c1 95998839 ZDDQTINIMZEBBU-HNNXBMFYSA-N 330.388 1.950 0 40 EDAB O=C1CCN(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CCN1 74783317 TXHKIJYUZJWOQO-UHFFFAOYSA-N 334.807 1.895 0 40 EDAB O=S1(=O)c2ccccc2O[C@]2(CCNC2)CN1Cc1ccccn1 306126828 FGHUEOIYLODZRI-KRWDZBQOSA-N 345.424 1.397 0 40 EDAB Cc1sc(-n2cnnn2)c(C(=O)NCCc2ccncc2)c1C 524732779 NEQNCLBEIJUHRF-UHFFFAOYSA-N 328.401 1.708 0 40 EDAB O=C(Nc1nnc(S(=O)(=O)N2CCCC2)s1)c1ccccc1 78470380 ZZGZKWZIGCJMLA-UHFFFAOYSA-N 338.414 1.575 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 33251868 HQQXVKAWUZXAGU-AWEZNQCLSA-N 326.393 1.648 0 40 EDAB CN(C)c1cc(C[C@@H]2CNCCN(Cc3ccccc3)C2)ncn1 72355046 GDXXCKKNFMSCGI-QGZVFWFLSA-N 325.460 1.807 0 40 EDAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1nncs1 49543754 RZRREEQMGRHRCL-NRPADANISA-N 327.435 1.202 0 40 EDAB biogenic CN(CC1(O)CCOCC1)C(=O)C1(CC(=O)OC(C)(C)C)CCC1 567953069 HPIDIMYQOUSTHW-UHFFFAOYSA-N 341.448 1.888 0 40 EDAB COC(=O)c1ccc(C(=O)NCCCc2cnc3ncnn3c2)cc1 225642119 MVSHNYBHPKUBIH-UHFFFAOYSA-N 339.355 1.274 0 40 EDAB Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](C(=O)O)c2ccccc21 192934939 NIVJSYBPSMLCLI-CYBMUJFWSA-N 329.356 1.631 0 40 EDAB COC[C@H]1C[C@@H](NC(=O)c2c(-c3ccccc3)noc2C)[C@H](O)[C@@H]1O 225508071 HDGGESHARIAXEV-KFZJALRRSA-N 346.383 1.137 0 40 EDAB biogenic,in-vitro COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(OC)c1 45896072 JGOIGHVOGDHSQR-CQSZACIVSA-N 345.359 1.160 0 40 EDAB Cc1nc(C(=O)Nc2nccn(C)c2=O)nn1-c1ccccc1Cl 225437727 PXOPTBYTOYTNPK-UHFFFAOYSA-N 344.762 1.575 0 40 EDAB COc1cc(OC)cc([C@@H](C(=O)O)N2CCC[C@@H](n3ccnn3)C2)c1 575755492 QLXHYQDDTDSVJC-CJNGLKHVSA-N 346.387 1.758 0 40 EDAB Cn1ncc(C(=O)NC[C@@](C)(O)c2ccsc2)c1-n1cccc1 80891931 QYYJUCYJOZUHBL-MRXNPFEDSA-N 330.413 1.910 0 40 EDAB CCC(=O)N1CC[C@@]2(COCc3c(C)nc(N4CCOCC4)nc32)C1 96244595 KMMIHRCTHORQKD-SFHVURJKSA-N 346.431 1.032 0 40 EDAB CCc1cnc(N2CCc3c(C(=O)N4CCCC4)n[nH]c3C2)nc1 96066646 VXMXYWJTSUOTBQ-UHFFFAOYSA-N 326.404 1.561 0 40 EDAB O=C1C[C@H]2[C@@H](CCN2Cc2ccsc2)N1CCN1CCOCC1 96183951 CKBFCGTTWWHOBQ-CVEARBPZSA-N 335.473 1.256 0 40 EDAB CC(C)CN1CCNC(=O)C12CCN(C(=O)c1cscn1)CC2 96230177 IGUQDJAEAPFONE-UHFFFAOYSA-N 336.461 1.206 0 40 EDAB COCC(=O)N1C[C@@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 96111637 HIGNDWFTNXSIAY-ZFWWWQNUSA-N 330.384 1.438 0 40 EDAB biogenic,in-vitro CCc1nnc2n1C[C@H](NC(=O)COCCOc1ccccc1)CC2 97198679 GQMOKYRJCLYUJS-CQSZACIVSA-N 344.415 1.367 0 40 EDAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNC(=O)C2CC2)COC1 96112510 XFMKEILLTPNUMC-LBPRGKRZSA-N 329.356 1.420 0 40 EDAB biogenic,in-vitro CO[C@H]1CCN(Cc2cnn(C)c2)[C@@H]2CN(Cc3ccncc3)C[C@H]12 96109483 LEUIHZPNVMOCQP-OTWHNJEPSA-N 341.459 1.536 0 40 EDAB Cn1c(=O)n(CCOc2ccc(S(C)(=O)=O)cc2)c2ccccc21 96428830 JPJNNWUAALMKTC-UHFFFAOYSA-N 346.408 1.823 0 40 EDAB CCN(C1CC1)S(=O)(=O)c1c(C)nn(Cc2nc(C)no2)c1C 96428860 ISOUNMDZKHQKQS-UHFFFAOYSA-N 339.421 1.413 0 40 EDAB CN1CCO[C@@H](CN(C(=O)CC[C@@H]2CCCO2)c2nccs2)C1 95402138 GQCYLDYXBKAGSD-UONOGXRCSA-N 339.461 1.766 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Cc2cc[nH]n2)cc1 583616202 UHZOAFAMYMNKOJ-WMZOPIPTSA-N 329.400 1.860 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 347516361 PIOLHVGFBUCQBS-LLVKDONJSA-N 326.418 1.421 0 40 EDAB COCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 244163708 UZLQLIZMGNRHLQ-UHFFFAOYSA-N 338.788 1.008 0 40 EDAB CCn1cc(C(=O)N2CCOC[C@H]2CCc2nccnc2C)cn1 257214640 CMSHEBFHOAXQMQ-OAHLLOKOSA-N 329.404 1.475 0 40 EDAB CNC(=O)[C@H]1CN(Cc2ccccc2F)CCN(C2CCOCC2)C1 257294036 QSEFQDMJZZMLFG-INIZCTEOSA-N 349.450 1.485 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@H](c3ccnc(C)n3)C2)on1 257207428 BHSAWHADXCBZKN-AWEZNQCLSA-N 332.360 1.314 0 40 EDAB C[C@H](CCO)NC(=O)[C@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2 585090986 KGLUGYJNTWIAER-XNJGSVPQSA-N 326.437 1.911 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1Cc1cccc(OC)c1F 257255261 KGUUERFNESHUGB-GOSISDBHSA-N 344.390 1.862 0 40 EDAB CNc1cccc([C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)n1 257248567 JEGLVTVPADTNLG-AWEZNQCLSA-N 334.401 1.281 0 40 EDAB Cc1cnn(CC(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3C)CC2)c1 257243081 IFKAFGJCUYGPGM-RDJZCZTQSA-N 344.415 1.326 0 40 EDAB CC(C)[C@@H](O)C(=O)Nc1ccc(CN=[S@](C)(=O)N(C)C)cc1 1616038215 YCIULLNQIQINKL-PEBXRYMYSA-N 327.450 1.716 0 40 EDAB C[C@H](NCCN(C)C(=O)OC(C)(C)C)c1cn(C2COC2)nn1 1615001145 MSCYMARGAWNAOU-NSHDSACASA-N 325.413 1.367 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](CNC(=O)c2cscn2)C1 575406236 MRZYDLYLFWQJGU-RTXFEEFZSA-N 345.428 1.309 0 40 EDAB COc1ccc(CNC(=O)NCCn2nc3c(cc2=O)CCC3)cc1 575609289 UVTQRYDSFCXPDY-UHFFFAOYSA-N 342.399 1.240 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCCN(CC(=O)N2CCOCC2)C1 585275515 BYYHGJQFYMKRAS-IBGZPJMESA-N 348.443 1.060 0 40 EDAB O=C(CCc1ccno1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585276243 FAZVPHNQHHXLRJ-SFHVURJKSA-N 330.384 1.440 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)c2cn3ccccc3n2)cc1 45444649 JUBIZKMVSVHNOU-UHFFFAOYSA-N 344.396 1.172 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCCC(=O)NCc2ccccc2)C1 58279882 CLJGLEYOAKDZLA-AWEZNQCLSA-N 339.461 1.259 0 40 EDAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2cc[nH]n2)C1 69582340 LLYNZDQFCGVRJB-CYBMUJFWSA-N 327.344 1.546 0 40 EDAB Cn1cc([C@@H]2[C@@H](C(=O)O)CCC(=O)N2CCc2cccnc2)cn1 72275733 MYSQGQRWCWWCLM-GOEBONIOSA-N 328.372 1.422 0 40 EDAB Cn1cnnc1CN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 577130637 JHUMDGJJGBXJPQ-JTQLQIEISA-N 328.342 1.947 0 40 EDAB C[C@H]1Oc2ccc(S(=O)(=O)NCc3ccncc3)cc2NC1=O 12118248 NGAZBECONHERIO-SNVBAGLBSA-N 333.369 1.280 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)N1CCCCC1 12146208 GZPQLGYNGFWLAW-MRXNPFEDSA-N 341.411 1.650 0 40 EDAB O=C(CSc1n[nH]c(=O)n1-c1ccccc1)c1ccc(O)cc1O 12377071 HEPGSNUENGCUHP-UHFFFAOYSA-N 343.364 1.947 0 40 EDAB COc1cn(-c2ccc(F)cc2)nc1C(=O)NCCN1CCOCC1 12444002 LDPBIBFIDVTOMP-UHFFFAOYSA-N 348.378 1.082 0 40 EDAB O=C(Cn1ncn(-n2cccc2)c1=S)Nc1ccc2c(c1)OCO2 16807059 BRVMRKVPJGWUAK-UHFFFAOYSA-N 343.368 1.894 0 40 EDAB Cc1c(CN(CCCN2CCOCC2)Cc2cccnc2)cnn1C 19553530 UFMMSAWAMJFVSF-UHFFFAOYSA-N 343.475 1.848 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)nc2c1CCCN2C 19707885 BGZVGXGHDBIMEI-ZDUSSCGKSA-N 340.431 1.910 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CNCCCO1 584342012 ZZBAHFPBQXSHDG-LLVKDONJSA-N 334.825 1.005 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1 2929319 SVCOUCNIDSPWEH-UHFFFAOYSA-N 341.364 1.690 0 40 EDAB Fc1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1 1888842841 NVDNYXBKIFODHH-UHFFFAOYSA-N 344.394 1.626 0 40 EDAB Cc1ccc(OC[C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)nn1 1888855902 VRABLKBHWPZQTG-AWEZNQCLSA-N 330.388 1.860 0 40 EDAB Cn1ccc2c(N3CCC[C@H](C(=O)N4CCOCC4)C3)ncnc21 1889111383 HPMXPEVIXBOFDJ-ZDUSSCGKSA-N 329.404 1.044 0 40 EDAB COc1cnc(OC2CCN(c3ccc4nccn4n3)CC2)nc1 1889143333 JMHKCGSWDOTUHL-UHFFFAOYSA-N 326.360 1.576 0 40 EDAB CC[C@H]1CN(C(=O)CCn2c(C)nc3ccccc3c2=O)CCO1 30849123 GGPGPZPQDNGNLF-AWEZNQCLSA-N 329.400 1.732 0 40 EDAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O 2290495 CNHJZJVZEVDQQG-WBMJQRKESA-N 336.413 1.650 0 40 EDAB O=C(C[C@H](NCCCO)C(=O)O)Nc1ccc(Br)cc1 4939817 JJUGRZRYHQKJLO-NSHDSACASA-N 345.193 1.203 0 40 EDAB Cn1cnc(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)cc1=O 585628841 KGJCGRLWOMMUFW-UHFFFAOYSA-N 341.415 1.131 0 40 EDAB O=C(NCC1CCC1)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713672 UZRFOXQTXXYGQZ-OAHLLOKOSA-N 344.459 1.988 0 40 EDAB O=C([C@H]1CN(c2ncccc2F)CCO1)N1CCC(F)(F)CC1 2086881860 ORLLRJBTWMJDAB-GFCCVEGCSA-N 329.322 1.684 0 40 EDAB O=C(CCn1ccc(=O)[nH]c1=O)OCc1cc(-c2cccs2)on1 36662593 WMSNOPQYWZTQKI-UHFFFAOYSA-N 347.352 1.387 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 31230426 JLSHKVSSNVEDGM-GFCCVEGCSA-N 348.428 1.024 0 40 EDAB COc1ccc(C(N)=O)c(O[C@H](C)C(=O)NCCc2ccccc2)c1 31078852 YHTABUFPHQKRDR-CYBMUJFWSA-N 342.395 1.920 0 40 EDAB CS(=O)(=O)NCCNC(=O)CCCOc1ccccc1Cl 50558346 XUALYSIBUZBMFI-UHFFFAOYSA-N 334.825 1.164 0 40 EDAB Cc1cc2ccccc2n1CC(=O)N1CCN(S(C)(=O)=O)CC1 40475537 UHIIOUBVQRTMKY-UHFFFAOYSA-N 335.429 1.054 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCc2cccc(F)c2)n(C)c1 40498522 YAXSGRGLHYMYCF-UHFFFAOYSA-N 325.365 1.002 0 40 EDAB O=C(COc1ccc(F)cc1)NCc1cccnc1N1CCOCC1 31326580 YYPHIPFOGSBMEU-UHFFFAOYSA-N 345.374 1.753 0 40 EDAB NC(=O)c1ccc(C(=O)NCCc2c[nH]c3cc(F)ccc23)cn1 50765611 VPERIEMSMMMRBG-UHFFFAOYSA-N 326.331 1.773 0 40 EDAB CC(=O)OCCc1c(C)[nH]c2nc(-c3ccccc3C)nn2c1=O 100650735 BBKKMXJIWRTETA-UHFFFAOYSA-N 326.356 1.807 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCC[C@@H]1Cn1cncn1 69534831 LYJWRUOSISYJDI-UONOGXRCSA-N 331.424 1.547 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1CCn1c(=O)oc2ccccc21 36734360 PLTYKOASTYULPZ-UHFFFAOYSA-N 344.348 1.439 0 40 EDAB Cc1cnc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cn1 40529341 GFCVOQQWHSTMRE-ZIAGYGMSSA-N 341.415 1.724 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)Nc3nncs3)cn2)CCO1 45948562 UNYVFFPSDIZMJU-SNVBAGLBSA-N 334.405 1.480 0 40 EDAB O=C(Nc1nc[nH]n1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 20735417 RLJQYZCZOTWPHJ-UHFFFAOYSA-N 347.334 1.853 0 40 EDAB NC(=O)c1ccc(CN2CCN(C(=O)Cc3cccs3)CC2)cc1 46065515 FEXAJNSQZSTFAR-UHFFFAOYSA-N 343.452 1.734 0 40 EDAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC1=NCCS1 32719829 KCRYISHTZAGRQN-UHFFFAOYSA-N 332.212 1.942 0 40 EDAB Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 100318843 VGDNTYWCSGTKDA-CHWSQXEVSA-N 345.424 1.239 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCc2ccccc2Cn2cccn2)C1 32916830 JCIZZYCRUCTPAG-INIZCTEOSA-N 341.415 1.338 0 40 EDAB Cn1ncc2c(=O)[nH]c(CN3CCN(Cc4ccsc4)CC3)nc21 52799571 AHRTWAUNMPJNRO-UHFFFAOYSA-N 344.444 1.036 0 40 EDAB Cc1cc(NC(=O)CCN2CCC(c3ccnn3CCO)CC2)no1 58305282 DRDFVFFTUOQVMI-UHFFFAOYSA-N 347.419 1.380 0 40 EDAB CC[C@@H](CO)NC(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C 47601161 AXLNPUMCAYAVHR-DZGCQCFKSA-N 332.404 1.588 0 40 EDAB O=C(NCc1ccnc(-n2ccnc2)c1)N[C@@H]1CCN(CC2CC2)C1 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340.383 1.926 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cc2ccccc2Cl)CC1 58282624 QMRWRNGLBKNVPF-MRXNPFEDSA-N 349.862 1.823 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCN(c2nccs2)CC1 44971225 QBXQNBKITOMXKP-ZDUSSCGKSA-N 346.460 1.786 0 40 EDAB O=C(CS(=O)(=O)c1ccc2c(c1)OCCO2)NC1CCCC1 44947914 QVFDRRHGNQUFOY-UHFFFAOYSA-N 325.386 1.290 0 40 EDAB C[C@H](NC(=O)CCCn1cnc2ccccc2c1=O)[C@H]1CCCO1 27885175 BZCZSMADAHOPMS-XJKSGUPXSA-N 329.400 1.860 0 40 EDAB CC(C)c1nn(C)c(N(C)C)c1CNC[C@H](O)CN1CCCCC1 58393371 QJZOPNJHVMDEDG-HNNXBMFYSA-N 337.512 1.546 0 40 EDAB CN(C)c1nc(OCCOC(=O)Nc2ccccc2)nc(N(C)C)n1 2266669 XRFNATAJNRKFOD-UHFFFAOYSA-N 346.391 1.631 0 40 EDAB CCN(CCO)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 36379542 UTSSJPAPEISVPM-UHFFFAOYSA-N 335.429 1.888 0 40 EDAB in-vitro CC(C)c1noc(CCC(=O)N2CCC[C@@H](c3nncn3C)C2)n1 48260696 LTPFDVHQUBWEML-GFCCVEGCSA-N 332.408 1.660 0 40 EDAB COc1ccc(C)cc1CN1CCN(C(=O)CCn2cncn2)CC1 48273209 MQTCCLQDUYYWTQ-UHFFFAOYSA-N 343.431 1.330 0 40 EDAB Cc1csc2nc(CN3CCC[C@H](Cn4cncn4)C3)cc(=O)n12 69703907 JVLFDDODJGJCMI-ZDUSSCGKSA-N 344.444 1.568 0 40 EDAB CC(=O)N1CCN(C(=O)CCNc2cc(C(F)(F)F)ccn2)CC1 80788495 GIALIWMUSDQFEK-UHFFFAOYSA-N 344.337 1.593 0 40 EDAB C[C@H](NC(=O)CCNS(=O)(=O)c1cccs1)c1ccncc1 7778847 HOTDJOAKUVPUJV-NSHDSACASA-N 339.442 1.689 0 40 EDAB CS(=O)(=O)CCCC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 110660855 MGNZFMAEZBSULF-SOUVJXGZSA-N 328.478 1.144 0 40 EDAB CC(C)[C@H](C(=O)N1CCN(Cc2ccncc2)CC1)N1CCCC1 63854585 DSNHFNUMEPCBIO-GOSISDBHSA-N 330.476 1.846 0 40 EDAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1n1cnnc1 17918928 BSDRCQGQIJQYFD-OWCVQMPJSA-N 342.358 1.806 0 40 EDAB COC(=O)[C@H]1SC[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)N21 4106643 PNLQFJSQEJKGBE-GXSJLCMTSA-N 326.761 1.723 0 40 EDAB C[C@H](O)CN1CCN(C(=O)Cn2c(C3CC3)nc3ccccc32)CC1 69846062 QSIMKBLKNSYPBX-AWEZNQCLSA-N 342.443 1.439 0 40 EDAB O=C(CN1C(=O)CNC1=O)N[C@H](c1ccccc1)C1CCCCC1 64883318 UCJVRGPQCOOZKM-QGZVFWFLSA-N 329.400 1.976 0 40 EDAB CC(C)n1ccnc1CN1CCCN(C(=O)c2ncccc2O)CC1 69849129 NMZYCGOPCSYBQL-UHFFFAOYSA-N 343.431 1.913 0 40 EDAB CCOCCOC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 69199890 IQERVBAEBYNESW-SJKOYZFVSA-N 340.420 1.703 0 40 EDAB CCN1CCc2ncnc(N(C)Cc3cccc(C(N)=O)c3)c2C1 65584905 JRCPXRBLLRNWDS-UHFFFAOYSA-N 325.416 1.590 0 40 EDAB O=C(NCCC(=O)N1CCCN2CCC[C@@H]2C1)c1ccc(F)cc1 65587372 YBPKGNFQVRRYNN-MRXNPFEDSA-N 333.407 1.642 0 40 EDAB CCOCCN(CC(=O)N(C(C)C)C(C)C)C[C@@H](C)C(=O)OC 65522377 LTIGDQFZQNSONQ-OAHLLOKOSA-N 330.469 1.779 0 40 EDAB COc1cc(C(=O)Nc2cccc(F)c2)cc(OC)c1OCC(N)=O 16959472 VKWJCTIEQZDOMF-UHFFFAOYSA-N 348.330 1.959 0 40 EDAB CNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 409006279 ZXIGFEQAVINHLP-UHFFFAOYSA-N 332.425 1.932 0 40 EDAB O=C(NC1CCN(C(=O)C2CC2)CC1)c1cccc2c1OCCO2 65623383 VIDQGPJYGSLSLM-UHFFFAOYSA-N 330.384 1.589 0 40 EDAB Cc1ccnn1-c1ccc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)cc1 65606772 IDVGGPOTBQCWDK-INIZCTEOSA-N 326.400 1.777 0 40 EDAB Cc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 66484998 KQJGZHRPBOIZLR-QGZVFWFLSA-N 330.428 1.777 0 40 EDAB Cc1nn(Cc2noc(C(=O)NCc3ccncc3)n2)c(C)c1Cl 15082392 AKMVEVCRRRGCEQ-UHFFFAOYSA-N 346.778 1.910 0 40 EDAB COc1ccc(OC)c(-n2nnnc2SCc2cnn(C)c2)c1 69455973 YBWITPGOMUTJCA-UHFFFAOYSA-N 332.389 1.705 0 40 EDAB CC[C@@H](C)CS(=O)(=O)NCC(C)(C)N1CCC(N(C)C)CC1 71904720 QQGKHYOJUQTRIE-CQSZACIVSA-N 333.542 1.757 0 40 EDAB COc1ccccc1C[C@@H]1[C@H](O)c2ccccc2S(=O)(=O)N1C 9050923 GGAZERUPDAAWJX-RHSMWYFYSA-N 333.409 1.974 0 40 EDAB Cn1ccnc1C(=O)c1ccc(NC(=O)COC[C@@H]2CCCO2)cc1 78680465 KEKFZXYCNYFGAL-HNNXBMFYSA-N 343.383 1.785 0 40 EDAB C[C@H](C(=O)N1CCc2ccccc21)N1CCn2c(nnc2C2CC2)C1 78787920 BQOKNAOYHROVFZ-CYBMUJFWSA-N 337.427 1.949 0 40 EDAB C[C@H](CC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 96407506 KDQPPRFVDUQVEV-IUODEOHRSA-N 342.436 1.860 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F 78875402 JYQOTZIEIDPLRZ-PWSUYJOCSA-N 342.392 1.441 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)n1 78892863 CPGYMJODHOLZQH-KBPBESRZSA-N 329.404 1.528 0 40 EDAB CC(C)(C)NC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 71885726 DWJNJOWYLFJBLW-UHFFFAOYSA-N 347.459 1.490 0 40 EDAB Cc1ccc(CCNC(=O)NCCc2cccc(C(N)=O)c2)cn1 71897758 YYMOPSUEWMSOKT-UHFFFAOYSA-N 326.400 1.573 0 40 EDAB CC(C)NC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 71856585 UHCTWWXZQKFROA-CYBMUJFWSA-N 343.424 1.686 0 40 EDAB O=C(CN1CCN(C(=O)c2ccccc2O)CC1)N1CCCCC1 71877714 FJADSHPQTAIZSU-UHFFFAOYSA-N 331.416 1.163 0 40 EDAB O=C(NCc1nccn1CCc1ccccc1)N[C@H]1CCCNC1=O 83717417 WYQXVEKNLXOGJZ-HNNXBMFYSA-N 341.415 1.204 0 40 EDAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](N(C)C)C1 83752842 SZYPRNVTJDRLPJ-OUWJGKLISA-N 329.510 1.802 0 40 EDAB NS(=O)(=O)C[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 72275300 UBMOZTCFMBJBNR-OQHXTRMZSA-N 342.848 1.880 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)n1 72299483 MHOIAHCKJICCAX-GFCCVEGCSA-N 329.360 1.176 0 40 EDAB C[C@@H]1CO[C@H](CO)CN1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F 97136131 VZFPHGWHUFCLRH-XBFCOCLRSA-N 346.349 1.951 0 40 EDAB Cc1cccc(NC(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)n1 97142815 HCBGDYXKFRQADE-GFCCVEGCSA-N 330.392 1.992 0 40 EDAB C[C@@H](C(=O)O[C@H](C)c1cnccn1)N1C(=O)NC2(CCCC2)C1=O 72310638 QMIGMUPRLWPDRO-WDEREUQCSA-N 332.360 1.334 0 40 EDAB Cn1cnn(CC(=O)NCC2(c3ccc(F)cc3)CCCCC2)c1=O 95456842 NLBWWIFCNKAJPO-UHFFFAOYSA-N 346.406 1.739 0 40 EDAB Cc1cc(F)c2[nH]c(=O)cc(C(=O)NCC[C@@H](C)[S@@](C)=O)c2c1 95995280 GEJHLRJDUKKLRY-WYVULQQZSA-N 338.404 1.863 0 40 EDAB C[C@H](NC(=O)CNC(=O)c1ccsc1)[C@@H](O)c1ccc(F)cc1 95992399 FSJBMTRGOUCWGZ-ZUZCIYMTSA-N 336.388 1.855 0 40 EDAB c1cc(-c2noc(C3CCN(c4ccc5nncn5n4)CC3)n2)ccn1 74455263 YZHWETLEJADVMN-UHFFFAOYSA-N 348.370 1.953 0 40 EDAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCC[C@@H](c2nc[nH]n2)C1 75094517 JOERJTFVHBXNGN-OAHLLOKOSA-N 336.399 1.939 0 40 EDAB Cc1cc2nc(C)c(CCC(=O)N3CCN(C)C[C@@H]3C)c(C)n2n1 89610771 DJSJHISTFZVOSI-ZDUSSCGKSA-N 329.448 1.750 0 40 EDAB O=S(=O)(c1c[nH]c2ncccc12)N1CCN(Cc2ccco2)CC1 172179098 NLKZCLCUNBYFFH-UHFFFAOYSA-N 346.412 1.662 0 40 EDAB COc1cccc([C@@H](CC(=O)O)NS(=O)(=O)c2cccnc2)c1 548239752 RFTASUHEDSMCDA-CQSZACIVSA-N 336.369 1.585 0 40 EDAB NC(=O)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 38756437 JUKLIKGHJXNWSB-UHFFFAOYSA-N 339.395 1.870 0 40 EDAB CCc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](COC(C)=O)(O3)[C@@H]2C1=O 409307111 RDPFSESCAHRXRE-JEWRLFTDSA-N 341.363 1.625 0 40 EDAB O=C(O)[C@H]1Cn2c(O)nnc2CN1Cc1nc2ccccc2s1 520217450 KBQQVEIIUVTUHJ-SECBINFHSA-N 331.357 1.062 0 40 EDAB CC(C)c1cc(=NCC23CC(CO2)C3)[nH]c(=NCC23CC(CO2)C3)[nH]1 528184823 SAKDPPVAYROJHB-UHFFFAOYSA-N 344.459 1.626 0 40 EDAB C[C@@]1(C(=O)N2CCOCC2)CN(Cc2cccc3[nH]ccc23)CCO1 72379930 FUQPJMKUSSBRQN-IBGZPJMESA-N 343.427 1.618 0 40 EDAB COCC(=O)N1CCC[C@@H]1c1cc(Nc2cnccn2)nc(C)n1 72360288 BZDQOKGHCPNGTK-CYBMUJFWSA-N 328.376 1.629 0 40 EDAB CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1 72830362 YOBFFHKRICZZEO-GJZGRUSLSA-N 345.443 1.876 0 40 EDAB CNc1cc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)nc(C)n1 72387865 IWZAFQNGTSEQGT-HNNXBMFYSA-N 348.428 1.589 0 40 EDAB Cc1nsc(N2CCCN(c3cnn(C)c(=O)c3Cl)CC2)n1 78557934 ONCYPLGTOHXUIE-UHFFFAOYSA-N 340.840 1.310 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)NC[C@H]2OCCc3sccc32)c1C 72501396 DKXRABGLDYWESC-GFCCVEGCSA-N 333.413 1.502 0 40 EDAB CCONC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 32795795 VLJJBTKZPKOHRO-VIFPVBQESA-N 327.178 1.870 0 40 EDAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](CO)[C@@H]1c1ccc2c(c1)OCO2 218159714 PUJQSHGXDNSRJO-XOKHGSTOSA-N 332.377 1.964 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC 218514322 SIPVHLNMZGRCOT-VNHYZAJKSA-N 345.848 1.749 0 40 EDAB CN1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 36633864 RCEPXRWZPFXGLP-LBPRGKRZSA-N 342.226 1.873 0 40 EDAB CCc1n[nH]c(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)n1 125733127 SBRUMVJFONGBBC-CYBMUJFWSA-N 327.388 1.539 0 40 EDAB O=S(=O)(C1CC1)N1CCCN(Cc2cc(F)cc(F)c2)CC1 374829325 NEPLUYDSSIJQQF-UHFFFAOYSA-N 330.400 1.965 0 40 EDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)Cc1ccccc1 71980121 OGNWYLKGYJYILW-HNNXBMFYSA-N 332.400 1.353 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1cc2ccccc2o1 225796997 CGOXWEZWOTZJRY-UHFFFAOYSA-N 334.335 1.968 0 40 EDAB COc1cccc(C(=O)N2CCN(Cc3ccc[nH]3)CC2)c1OC 225413034 WJKUBPVGVQYHSQ-UHFFFAOYSA-N 329.400 1.990 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 222370034 ZMQYZPMMYXYTHK-DEXNDLTESA-N 344.411 1.582 0 40 EDAB O=S(=O)(Cc1ccccc1)Nc1cnc(N2CCOCC2)nc1 75162135 KQNQUBZVKYPMOV-UHFFFAOYSA-N 334.401 1.255 0 40 EDAB C[C@H](Nc1cc(N2CCOCC2)ncn1)[C@@H](O)Cc1ccccc1 225482312 UOGRNLRWOFNCPD-HOCLYGCPSA-N 328.416 1.717 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCC2(CO)CC2)[C@@H]1c1cccc(F)c1 223226363 LHYVZFLXGKAPIA-ZBFHGGJFSA-N 334.391 1.624 0 40 EDAB O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@H](CN2CCOCC2)C1 192021105 FGIWAMRKCPFTNX-APWZRJJASA-N 343.471 1.984 0 40 EDAB CCn1cc(-c2n[nH]cc2C(=O)N2CCN(CC(C)C)C(=O)C2)cn1 225444063 YLLQGYSKYMOLPA-UHFFFAOYSA-N 344.419 1.234 0 40 EDAB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)Cc2cccnc2)C1 225505991 VRAIORNMVAPDEX-HNNXBMFYSA-N 341.415 1.550 0 40 EDAB O=C(c1cscn1)N1CCC2(CC1)CN(c1ncccn1)CCO2 96159033 URVLXZHCXJJOSK-UHFFFAOYSA-N 345.428 1.445 0 40 EDAB O=C(NCC1CC1)[C@H]1CN(C(=O)c2ccoc2)CC12CCOCC2 96052145 HNAGZXACWLMUDP-OAHLLOKOSA-N 332.400 1.675 0 40 EDAB Cc1ccsc1CNS(=O)(=O)c1cccc(-c2nnnn2C)c1 96427816 SPPHDEFLSGMEIO-UHFFFAOYSA-N 349.441 1.726 0 40 EDAB Cc1cc(CN2C[C@@H](N3CCN(C)CC3)[C@H]3OCCC[C@H]32)oc1C 96185826 VPNZGPJCGLWRNZ-QRVBRYPASA-N 333.476 1.876 0 40 EDAB CN(C)c1nccc([C@@H]2C[C@@H]3CCN(C4CCOCC4)C[C@H]3O2)n1 96046388 KFFPIHUCRXQGMW-RRQGHBQHSA-N 332.448 1.874 0 40 EDAB Cc1noc(C[C@H]2CO[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)n1 96216831 GAIKBQXASSXKHD-NWANDNLSSA-N 349.412 1.256 0 40 EDAB Cc1ccc2c(O)c(C(=O)N3C[C@@H](C)C[C@@H](C(=O)O)C3)cnc2n1 581726403 LTMSHZBMAYIVQM-GXSJLCMTSA-N 329.356 1.827 0 40 EDAB O=C(Cn1ccnn1)N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 93245759 CKUVJWMAKLYYGI-STQMWFEESA-N 340.305 1.631 0 40 EDAB CN(C)CCOCc1nnn2c1CN(Cc1cccnc1)CCC2 96084341 GUAJSORIRGPRIM-UHFFFAOYSA-N 330.436 1.157 0 40 EDAB CCC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ccccn3)C[C@@H]2C1 96251262 BAENFFQSFMLVSL-KXBFYZLASA-N 344.459 1.625 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](C)n2c(=O)sc3ccccc32)CC1 96455287 MGBQXAGXHHTOHD-NSHDSACASA-N 333.413 1.315 0 40 EDAB O=C(NCC1(O)CCCCC1)C(=O)Nc1ccc(F)c(F)c1F 96413559 USNRYNNQIVYFAG-UHFFFAOYSA-N 330.306 1.854 0 40 EDAB CO[C@H]1CCN(C(=O)CS(C)(=O)=O)C[C@@H]1Cc1ccccc1 96110507 BCZKASZTWPGXIG-GJZGRUSLSA-N 325.430 1.137 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(Cc1cccnc1)CC2 96254564 IYFKIJLVSNSLHJ-UHFFFAOYSA-N 339.443 1.617 0 40 EDAB C[S@](=O)CCNC(=O)NCCc1ccc(OC(F)(F)F)cc1 96408754 FUUOOAJWXLTIEQ-JOCHJYFZSA-N 338.351 1.805 0 40 EDAB COCCN1CC[C@@]2(COCCN(Cc3csc(C)n3)C2)C1 96062307 JVQNZNJFIHSETQ-MRXNPFEDSA-N 325.478 1.622 0 40 EDAB C[C@@H]1CCN(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)C1 580074841 KGPJTDURTOESTR-YUELXQCFSA-N 338.429 1.373 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC[C@@H](C(=O)N3CCCC3)O2)CC1 96061253 FYVIUCJIAFARDL-HNNXBMFYSA-N 344.415 1.253 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc(Cl)cc12 96410539 YHJWPYQVYJTXOF-CQSZACIVSA-N 347.802 1.874 0 40 EDAB Cc1nc(CO[C@H]2CN(C(=O)c3cccn3C)[C@@H]3COC[C@@H]32)cs1 96185087 OMCRKKBWDPSDSA-IMJJTQAJSA-N 347.440 1.846 0 40 EDAB Cc1ccnc(C(=O)N2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)c1 96215884 CZKRZVIIDHYULU-GZBFAFLISA-N 328.372 1.554 0 40 EDAB O=S(=O)(C1CC1)N1CCC2(CCN(c3ncccn3)CC2)CC1 96047347 SIXHPGOILOUSQH-UHFFFAOYSA-N 336.461 1.651 0 40 EDAB Cc1cc(C)c(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)o1 583619525 DBJVHLVMFJMQMQ-GXTWGEPZSA-N 330.388 1.579 0 40 EDAB c1cnc(OCC[C@@H]2CCOC3(C2)CN(C2CCOCC2)C3)nc1 253588662 MZYAIFWFNWXKRJ-OAHLLOKOSA-N 333.432 1.906 0 40 EDAB CCN(CC)C(=O)CN1CCC[C@@H](c2ccc3c(N)nn(C)c3n2)C1 257280206 OJYFGCGNEHWABN-CYBMUJFWSA-N 344.463 1.598 0 40 EDAB COc1ccccc1CN1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257277554 NYJFDAGIWBSANI-ZDUSSCGKSA-N 335.429 1.811 0 40 EDAB O=C(N1CC[C@@](O)(CN2CCOCC2)C1)C1(c2ccccc2)CC1 257299268 RPJFQRKZHIUIBG-GOSISDBHSA-N 330.428 1.014 0 40 EDAB COCCOc1cccc(C(=O)N2CC[C@@H](c3cc(O)n[nH]3)C2)c1 585130618 WUBJVGVRFGYPFG-CYBMUJFWSA-N 331.372 1.770 0 40 EDAB CNc1cc([C@H]2CCCN2C(=O)c2ccc(C)n(C)c2=O)nc(C)n1 257276679 NUROJWRXFUYUEQ-OAHLLOKOSA-N 341.415 1.811 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257208649 BMZPQYYADFQIAZ-CQSZACIVSA-N 349.460 1.533 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1 257320837 VYUSVAIHUOQQQD-MRXNPFEDSA-N 343.431 1.414 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)Cc1cccc(F)c1 257269956 MSDBQVUIXBSXGY-SFHVURJKSA-N 342.374 1.422 0 40 EDAB Cn1cccc1C(=O)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 257287491 PQFIYIUNTJJGHB-QGZVFWFLSA-N 332.379 1.321 0 40 EDAB COc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1 263314598 YPEDAQKNUGEODW-ZJUUUORDSA-N 341.385 1.082 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@H](OCc3ccccn3)CCO2)C1 575403819 KQLKFWLNQBDJNX-OAHLLOKOSA-N 340.445 1.570 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)Cn3cc(C)cn3)CCO2)c1 585278803 VNOBHWLFPADQNY-IBGZPJMESA-N 343.427 1.333 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1S(=O)(=O)c1ccc(C)cc1 585277616 JIXMZVJKQGVPAG-INIZCTEOSA-N 340.445 1.301 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCCN(CC(=O)N2CCCC2)C1 585277152 MBTDFMNEBXOUHC-IBGZPJMESA-N 332.444 1.823 0 40 EDAB O=C(CCc1cc(O)no1)N1CC[C@](O)(COc2ccccc2)C1 585277504 VYSURJDZVFPHTO-QGZVFWFLSA-N 332.356 1.355 0 40 EDAB COCc1nnc2n1CCN(Cc1cc(OC)cc(OC)c1)[C@H](C)C2 585097487 KKPNYQNYGXPOLY-CYBMUJFWSA-N 346.431 1.889 0 40 EDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N(C)CCCc2ccccc2)[C@@H]1O 585281108 TVKXFYLSKUSQFC-KURKYZTESA-N 332.444 1.695 0 40 EDAB Cc1cccc(S(=O)(=O)Nc2nn(C)c3cc(C)n(C)c(=O)c23)c1 585140369 CGTCIOGOXZIADT-UHFFFAOYSA-N 346.412 1.690 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 585270862 BZOSDULERWFFHI-LJQANCHMSA-N 343.427 1.402 0 40 EDAB Cc1ccc(CC(=O)N2C[C@H]3ON=C(C(=O)NC4CCC4)[C@H]3C2)cc1 585108961 ICFDCQRJJHWXDL-JKSUJKDBSA-N 341.411 1.419 0 40 EDAB Cc1ncsc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 46786527 PQPLOCMFFLQPDG-UHFFFAOYSA-N 336.461 1.222 0 40 EDAB C[C@H](O)CN1CCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 69843126 SLFDRFIYTNDUCB-KBPBESRZSA-N 339.867 1.343 0 40 EDAB CC(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)n[nH]1 67315290 OHRKCFGTSNNKEO-INIZCTEOSA-N 328.416 1.962 0 40 EDAB O=c1ccnc2sc(NCC[S@@](=O)Cc3ccccc3)nn12 69591047 SCTVSBPPYVCXIV-QFIPXVFZSA-N 334.426 1.512 0 40 EDAB C[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccc(F)cc1Cl 76018069 JPVJUSCNMLJAAE-VIFPVBQESA-N 334.800 1.980 0 40 EDAB O=S1(=O)CC[C@@H](N(Cc2ccc(Cl)cn2)C[C@@H]2CCCO2)C1 97047181 ILJAIKCIHVIXKT-CABCVRRESA-N 344.864 1.903 0 40 EDAB CNS(=O)(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 78258485 OAOHUHNNENZUNB-JTQLQIEISA-N 334.239 1.362 0 40 EDAB CN(C)c1ccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)nn1 97165462 JWKMTTQQAMWICK-UHFFFAOYSA-N 329.335 1.819 0 40 EDAB C[C@@H](Cc1cccs1)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 98010454 XCDDGNLAEAHLOF-SMDDNHRTSA-N 347.444 1.517 0 40 EDAB Cc1noc(C)c1C(=O)N1CCCc2cnc(N3CCOCC3)nc21 670787679 XUTFQCLHVYEZIL-UHFFFAOYSA-N 343.387 1.511 0 40 EDAB N=c1cc[nH]cc1C(=O)N[C@@H]1CC2(CCNCC2)Oc2ccccc21 1616035867 AMTLFFQBJLPMGC-MRXNPFEDSA-N 338.411 1.870 0 40 EDAB C=CCNC(=O)CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 105698251 LFEZJZPPTHNTMS-IBGZPJMESA-N 342.395 1.705 0 40 EDAB CCOC(=O)[C@@]1(Cc2cc([C@H]3CCCNC3)no2)CCCN(C)C1 12275172 PTWLDRVNIUIKQH-KBXCAEBGSA-N 335.448 1.959 0 40 EDAB Cc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2ccccc2)o1 5173096 BGVAGKOPEYREBM-UHFFFAOYSA-N 336.413 1.915 0 40 EDAB CCCCC(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5755981 LANRVNMFUMIDIH-SNVBAGLBSA-N 328.390 1.394 0 40 EDAB CC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 5972381 DCIKHBRAGWJVCY-UHFFFAOYSA-N 332.312 1.045 0 40 EDAB C[C@@H](C(=O)O)N1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 19080802 KEBNDKCJMGAHFD-GTNSWQLSSA-N 332.356 1.033 0 40 EDAB CC1CCC(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)CC1 19496015 WRJRXZPIDKPNPT-UHFFFAOYSA-N 330.388 1.780 0 40 EDAB CCC(=O)N1CCc2c(nc(C3CCN(C(C)=O)CC3)nc2NC)C1 19711354 GUZXZULYPFJORE-UHFFFAOYSA-N 345.447 1.539 0 40 EDAB CC(=O)N1CCC(C(=O)N[C@H]2CC[C@H](Oc3ncccn3)CC2)CC1 245174548 YRPGVBPSBUAVRH-WKILWMFISA-N 346.431 1.541 0 40 EDAB O=C(Cc1cccs1)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 583615073 WQBWOMPVCAGBBH-KBPBESRZSA-N 334.420 1.809 0 40 EDAB Cc1noc(C)c1CN1CCO[C@@H](C(=O)N2CCSCC2)C1 1888834261 NDEKCGMKKXULDS-CQSZACIVSA-N 325.434 1.068 0 40 EDAB O=C([C@@H]1Cc2ccccc2S1)N1CCN(c2ncccn2)CC1 14271086 LTIONFPNDYDNIP-HNNXBMFYSA-N 326.425 1.842 0 40 EDAB Cc1nn(CCNC(=O)c2ccc(=O)[nH]n2)c(C)c1-c1ccccc1 238866548 LXBSJUXTXAAMRX-UHFFFAOYSA-N 337.383 1.680 0 40 EDAB Cn1cnc(C(=O)N2C[C@H]3CCN(Cc4cccnc4)CC[C@H]3C2)c1 2056224088 CXARBFZQBNZIFJ-CALCHBBNSA-N 339.443 1.799 0 40 EDAB Cc1ccc(C(=O)c2ccc(CC(=O)OCCOCC(=O)O)[nH]2)cc1 2060999996 MEVYVMCETGFFPF-UHFFFAOYSA-N 345.351 1.741 0 40 EDAB Cc1cc(N2CCN(Cc3ccncc3F)CC2)n2nccc2n1 2086964104 KZHKWJSHIWSWEF-UHFFFAOYSA-N 326.379 1.894 0 40 EDAB CCSc1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1C 16839521 OPVJSJQKUJIMEB-UHFFFAOYSA-N 344.440 1.902 0 40 EDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)C2CC=CC2)C1 2055746477 LIGCGJCAMVKSIE-GOSISDBHSA-N 331.391 1.921 0 40 EDAB COCCNC(=O)C1(n2cccn2)CCN(Cc2cccnc2)CC1 2055781515 LRHMFBAEOFGUJA-UHFFFAOYSA-N 343.431 1.032 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCCn1ccnc1-c1cnccn1 575609581 NFZFLOLDAQHFGO-AWEZNQCLSA-N 337.383 1.924 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1Cc1cn(-c2ccccc2F)nn1 2298049378 JMERXSRZZGINCY-UHFFFAOYSA-N 329.335 1.771 0 40 EDAB O=C(NCCCc1ccccc1)c1c(O)nc2sccn2c1=O 16690014 POFLFRFRZIPPPG-UHFFFAOYSA-N 329.381 1.824 0 40 EDAB O=C(CCNC(=O)c1ccco1)NCc1ccc(-n2cccn2)cc1 40106975 CPQFBMKQFJORJZ-UHFFFAOYSA-N 338.367 1.902 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)[C@H]1CCc2ccccc21 30980424 INWJJLHTNZODRB-HNNXBMFYSA-N 327.384 1.450 0 40 EDAB O=C(Sc1n[nH]c(=O)[nH]c1=O)c1ccc(Br)cc1 137845 FTLZLFBSVAIPJG-UHFFFAOYSA-N 328.147 1.153 0 40 EDAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 40468890 MWCUIXDUCWJTCI-SWLSCSKDSA-N 337.441 1.588 0 40 EDAB CN(C)c1nc(Cn2cnc3sc4c(c3c2=O)CCC4)ns1 83855413 YTVQKUAVFCYEDK-UHFFFAOYSA-N 333.442 1.913 0 40 EDAB CC(C)(C)NC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 8132459 HALGHQHOQKVLGS-UHFFFAOYSA-N 335.404 1.582 0 40 EDAB Cc1nnc2n1CCN([C@@H](C)C(=O)N[C@@H]1CCOc3ccccc31)C2 69559574 YCTBUUZHVRLURO-SWLSCSKDSA-N 341.415 1.431 0 40 EDAB Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCC[C@@H]1Cn1cncn1 69597565 PUGVFIUVBDAQNK-CYBMUJFWSA-N 345.451 1.412 0 40 EDAB CCCNC(=O)CCNC(=O)CCN(Cc1ccccc1)C(C)=O 69570672 AKBOLZDXGMVWQZ-UHFFFAOYSA-N 333.432 1.458 0 40 EDAB O=C(Nc1nncs1)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 4487153 QMLQCNGWULJFOC-UHFFFAOYSA-N 332.385 1.871 0 40 EDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc2c(cc1Cl)OCO2 4502641 KKANOMNCZXZNIW-LBPRGKRZSA-N 349.734 1.517 0 40 EDAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@@H]2C=C[C@H]1C2 6698807 CZCGFUUYBSKBGL-OQUILHJVSA-N 344.386 1.997 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NC[C@H]2CC=CCC2)CC1 83888654 LYWCLCBTMIRJIR-SJORKVTESA-N 348.491 1.681 0 40 EDAB NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(F)cc2)cc1 7101317 LELKZKZMCJAUFD-UHFFFAOYSA-N 339.344 1.709 0 40 EDAB Cc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 7985975 GERLQLYTNLJSTR-UHFFFAOYSA-N 325.324 1.960 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)NC[C@@H]1CN(CC(C)C)CCO1 32434702 CYMGQIDWRSZJQF-OAHLLOKOSA-N 344.452 1.769 0 40 EDAB CCCn1c(SCCC(N)=O)nc2cc(S(N)(=O)=O)ccc21 10271095 BTIBZDCTGLYHCS-UHFFFAOYSA-N 342.446 1.061 0 40 EDAB O=C(NCCN1CCCCCC1)NCc1ccnc(-n2cccn2)c1 89885050 LHIABYKJVAJRGF-UHFFFAOYSA-N 342.447 1.943 0 40 EDAB CCS(=O)(=O)CC(=O)NCCOc1ccc(C(C)(C)C)cc1 53026230 BXIRPXURMWRYFL-UHFFFAOYSA-N 327.446 1.914 0 40 EDAB C[C@H]1CCCN(C(=O)CSc2nnnn2C2CCOCC2)C1 69584444 PHBGJXDSIMKVSE-NSHDSACASA-N 325.438 1.375 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(Cc2nccn2CC(F)(F)F)CC1 69536139 JWLGIOCRXOINCS-CYBMUJFWSA-N 348.413 1.970 0 40 EDAB COCCn1cnnc1SCC(=O)c1ccc(OC)cc1OC 22301943 QXCKWXWOOZMVBE-UHFFFAOYSA-N 337.401 1.917 0 40 EDAB Cn1cc(/C=C/C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(=O)n(C)c1=O 54277215 UPTZEALPQRNNBI-IXLVIVEVSA-N 331.416 1.278 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)c2sc(C)nc2C)CC1 42808995 FOXVEDLWBYCURD-UHFFFAOYSA-N 331.463 1.304 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(Cl)s1 24674410 MNXUCCBUQWQVDD-SECBINFHSA-N 336.866 1.945 0 40 EDAB O=C(OCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 106031597 RRLWXYIEHSRYFB-KKUMJFAQSA-N 344.415 1.105 0 40 EDAB COC(=O)C1(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CCCCC1 25171268 CVEVUQXHAUFNCE-IAQYHMDHSA-N 340.445 1.433 0 40 EDAB O=C(NC1CCN(C(=O)c2cccnc2S)CC1)c1ccoc1 58153421 KSJWEXJHRYNEJD-UHFFFAOYSA-N 331.397 1.998 0 40 EDAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4[nH]c(C)cn43)n(C)c2=O)c1 10233746 WGFAFDKZUJBAGJ-UHFFFAOYSA-N 337.383 1.650 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C)Cn2nc(C)cc2C)C1 44971687 RFDXCXRHKRVIMK-BLLLJJGKSA-N 335.452 1.446 0 40 EDAB CO[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1C)c1ccccc1 58315344 HJUWJFJPVFJSNY-MRXNPFEDSA-N 348.424 1.760 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc2c(c1)OCCO2 3396301 OVIUJJOLZFNCHL-UHFFFAOYSA-N 337.335 1.806 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC(N2CCCC2)CC1 48290621 LMMFGPRKQUHQKH-HNNXBMFYSA-N 333.480 1.924 0 40 EDAB COc1cc(F)c(S(=O)(=O)NC[C@@H](C(C)C)N(C)C)cc1OC 48252715 PCGCHACNYSWIDT-LBPRGKRZSA-N 348.440 1.707 0 40 EDAB Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 48300696 XRCMPNBECMCYFD-LOWVWBTDSA-N 337.372 1.438 0 40 EDAB CCCCn1c(N)c(N(CC)C(=O)CCSC)c(=O)[nH]c1=O 8392167 QTRYVMWRTKWRLK-UHFFFAOYSA-N 328.438 1.025 0 40 EDAB CN(C(=O)/C=C/c1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 12912462 YOKZYHTUHMZOOM-MVGZEHJDSA-N 330.409 1.894 0 40 EDAB COc1cccc(/C=C/C(=O)OCC(=O)NC[C@@H]2CCCO2)c1OC 3530517 DOQGSKQBJRAROE-VFNNOXKTSA-N 349.383 1.555 0 40 EDAB CCOC(=O)CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 4013937 ZJDODEKYCKYTHP-SNVBAGLBSA-N 335.422 1.739 0 40 EDAB Cc1n[nH]c2ncc(C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)cc12 63709049 LBKROTVVCPCDEQ-RYUDHWBXSA-N 331.420 1.495 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)c1nn(-c2ccccc2F)cc1O 89960954 KYFUDCAQMSRBHO-UHFFFAOYSA-N 348.378 1.704 0 40 EDAB COC(=O)C1CCN([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1 8471147 YWYLFDOGYUDZFX-SECBINFHSA-N 339.417 1.059 0 40 EDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccc2)c2ccccc21 13624375 ZRQMEMCZXQXZEU-INIZCTEOSA-N 337.379 1.527 0 40 EDAB O=C(Cc1ccccc1Br)N1CCN(CCO)CC1 75604667 RDJHULVSADUCKQ-UHFFFAOYSA-N 327.222 1.128 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)NCCc2ccsc2)n1 69773646 PFSREVJJACZIPO-MRXNPFEDSA-N 347.488 1.780 0 40 EDAB CCCCOc1ccc(C(=O)NCC(=O)O[C@H]2CCOC2=O)cc1 5212637 ULSCOLMSOIXPEA-AWEZNQCLSA-N 335.356 1.454 0 40 EDAB aggregator C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)n1nnc2ccccc2c1=O 5245120 MZUKOASAKSOSFX-JTQLQIEISA-N 338.323 1.720 0 40 EDAB COc1ccc(C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)c(F)c1 69770651 BVDGVQNGBIAJCR-MRXNPFEDSA-N 338.423 1.999 0 40 EDAB CCOC(=O)c1ccc(NC(=O)C2=CC(=O)N3CCN=C3S2)cc1 4476087 LFAAHIXBNLSSTD-UHFFFAOYSA-N 345.380 1.631 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCc1cccc(F)c1 65415569 FOGUATZYYRBWKY-AWEZNQCLSA-N 343.424 1.439 0 40 EDAB O=C(NCc1cccs1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 69772507 DWCSVGQOVRUFGA-UHFFFAOYSA-N 345.302 1.710 0 40 EDAB Cc1ccccc1NC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 5354536 VLDIMNOLRQFNHH-CYBMUJFWSA-N 326.352 1.890 0 40 EDAB CC(=O)N1CCCN(C(=O)Nc2cccnc2N2CCCC2)CC1 65612239 VONQPTXJZVFCPN-UHFFFAOYSA-N 331.420 1.768 0 40 EDAB C/C=C/C(=O)OCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 5462742 RRQDLLAANRTFRY-HSVJCBRXSA-N 337.397 1.326 0 40 EDAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCNC2=O)cc1 6586957 SGTPDTARWDCSCN-UHFFFAOYSA-N 331.401 1.528 0 40 EDAB Cc1ccc(CNC(=O)CN[C@@H]2CCCN(c3cccnn3)C2)cc1 69894872 BCIBKRMQMXETRK-QGZVFWFLSA-N 339.443 1.660 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CN[C@H]2CCc3nc(C)nn3C2)c1 69892822 BZONMUUTUCFCLI-LBPRGKRZSA-N 342.382 1.114 0 40 EDAB O=C(COCC(=O)Nc1ccc(Cl)cc1)NC[C@@H]1CCCO1 4682630 QOHJATLSQZADAH-ZDUSSCGKSA-N 326.780 1.590 0 40 EDAB CN(C)S(=O)(=O)c1cc2c(=O)nc3sccn3c2cc1Cl 4624288 CZXKEFXOQHWEOW-UHFFFAOYSA-N 343.817 1.813 0 40 EDAB COCCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 6719088 IFYQYAWWDJIIGC-CHWSQXEVSA-N 326.443 1.408 0 40 EDAB Cc1ccc2oc(N3CCN([C@@H](C)C(=O)NC4CC4)CC3)nc2c1 69970781 UEBRQGHZKABZIC-ZDUSSCGKSA-N 328.416 1.925 0 40 EDAB Cn1cc(CCC(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)cn1 71185488 SAQMZGMGQSJRBX-QGZVFWFLSA-N 340.427 1.359 0 40 EDAB C[C@@H](Sc1nncn1C)C(=O)Nc1ccc(N2CCOCC2)cc1 4840141 RMQUBNBXUONXQA-GFCCVEGCSA-N 347.444 1.771 0 40 EDAB C/C(NC[C@@H]1CCCO1)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 5816531 VEDPHCVXJAYFNP-UROBUVALSA-N 335.404 1.440 0 40 EDAB Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)c(-n2cnnn2)c1C 71283750 CVCYRWLLGQKWRC-UHFFFAOYSA-N 336.355 1.630 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1ccccc1OC 18266141 OLYRCVAUWMSBQB-ZDUSSCGKSA-N 342.351 1.560 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cnn(C)c1 76854936 LVRFQKHRPWOTPA-CQSZACIVSA-N 334.445 1.315 0 40 EDAB O=C(Cc1cn2ccsc2n1)N[C@@H]1CCN(c2ccccc2)C1=O 68205472 BFLYQUAJIYVMDG-CQSZACIVSA-N 340.408 1.860 0 40 EDAB Cc1ncsc1CNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 78111560 CPISELIKLWCGMP-HNNXBMFYSA-N 331.441 1.969 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)CC2)C1(CC)CC 78346740 FBEQXRCASCDZFB-OLZOCXBDSA-N 332.466 1.410 0 40 EDAB CN1CCN(CCCN(C)S(=O)(=O)CC2CCCCC2)CC1 71914083 XBCLZCQSTVKTIQ-UHFFFAOYSA-N 331.526 1.466 0 40 EDAB C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 9376875 SFOMQUBVDLNLKB-OCCSQVGLSA-N 347.444 1.497 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)Cc2ccc(-n3cnnn3)cc2)cn1 71796789 KNPZPLIGAQQFKY-INIZCTEOSA-N 337.387 1.302 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)C1 96408594 FBYMCEJIAPIUPC-MRXNPFEDSA-N 336.457 1.258 0 40 EDAB CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)o1 71858787 OBKNNEPOZUDKPI-UHFFFAOYSA-N 340.376 1.907 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccc(=O)n(C)n2)n1 71865454 OCURKRYVEJDVEF-CQSZACIVSA-N 329.404 1.289 0 40 EDAB Cc1cnn(CCNCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 72253079 PADLAVQJTNXSJP-CQSZACIVSA-N 341.415 1.545 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)no1 72299139 QLLSMFZJDRDHGU-STQMWFEESA-N 332.404 1.554 0 40 EDAB COCCN(Cc1cccs1)C(=O)CN1CCc2c(ncn2C)C1 72267664 NPRNKKGMTWBRIP-UHFFFAOYSA-N 348.472 1.515 0 40 EDAB O[C@H](COc1ccc2c(c1)OCO2)CN1CCC[C@H](c2ccn[nH]2)C1 72273615 GWAQIWXAEOVLDG-KBPBESRZSA-N 345.399 1.758 0 40 EDAB O=C(c1ccc2c(c1)OCCCO2)N1CCN([C@H]2CCC[C@H]2O)CC1 72268943 DMFOITHSYQDYLG-JKSUJKDBSA-N 346.427 1.519 0 40 EDAB COc1c([C@H]2CCCN2C(=O)c2ccc(N(C)C)nn2)c(C)nn1C 72253209 AIOIPWUSBROFKE-CYBMUJFWSA-N 344.419 1.570 0 40 EDAB C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)N1CCOCC1 97014938 FDNRMYFYYOWPNU-VIFPVBQESA-N 348.296 1.822 0 40 EDAB C[C@H](C(=O)NCc1cn[nH]n1)N1CCC(Cc2ccccc2)CC1 97011716 MCQGFASLEIZHDW-CQSZACIVSA-N 327.432 1.764 0 40 EDAB NCc1ccc(C(=O)N2CCN(c3ncnc4sccc34)CC2)o1 97019867 ICJPLBKWDBSMOC-UHFFFAOYSA-N 343.412 1.705 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1cnc3c(c1)c(C)nn3C)CC2 97199210 OMDMKDHEZXHXLR-LBPRGKRZSA-N 339.403 1.175 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc1C 408649933 FHXCHGPMRWLCHB-VJOHVRBBSA-N 343.379 1.983 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCS(=O)(=O)c1ccc(Br)cc1 95394954 MNCCHICOLURGDN-BXKDBHETSA-N 346.246 1.995 0 40 EDAB CC[C@@H]1CN(C(=O)CCCNc2ncccn2)C[C@@H]1N1CCOCC1 84735787 JIIOLQPMPRMWMW-CVEARBPZSA-N 347.463 1.238 0 40 EDAB NC(=O)N1CCCN(CC(=O)Nc2ccc(F)cc2Cl)CC1 95430660 WGHCHXWIYVABLW-UHFFFAOYSA-N 328.775 1.504 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 95431386 FNSNWQAXESCPNP-CYBMUJFWSA-N 337.470 1.934 0 40 EDAB C[C@@H](C(=O)NCc1ccc(-c2nnn[nH]2)cc1)N1CCCCCC1 95404259 ALYQJZDRABWYPF-ZDUSSCGKSA-N 328.420 1.747 0 40 EDAB C[C@H](NC(=O)C[S@@](=O)[C@H](C)c1ccccc1Cl)C(=O)N(C)C 95966707 OOFKQARELNDUEU-UTSGRSJNSA-N 344.864 1.743 0 40 EDAB CN1CCN(C[C@@H]2CCCN(c3cc(-n4ccnc4)ncn3)C2)CC1 95960966 VDUCYEGIUQTGCY-INIZCTEOSA-N 341.463 1.126 0 40 EDAB O=C(NC[C@@H](CO)Cc1ccccn1)c1cccc2c1OCCO2 75104527 WUYVKAQNZNFPCW-ZDUSSCGKSA-N 328.368 1.434 0 40 EDAB Cc1cc(S(=O)(=O)NC2(C(=O)O)CC2)c(C)cc1Br 554537744 MJCHQBOJVKGNGB-UHFFFAOYSA-N 348.218 1.961 0 40 EDAB CCc1nnc(CN2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)n1C 548009080 MZBFXBUBOQEKTH-MRXNPFEDSA-N 348.476 1.380 0 40 EDAB Cc1cc(CN2Cc3cncn3[C@H](CN3CCCC3=O)C2)n(C)n1 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340.430 1.926 0 40 EDAB Brc1cncnc1N1CCC[C@H]1CN1CCOCC1 195570801 HFSMAIWFMKTDDN-NSHDSACASA-N 327.226 1.540 0 40 EDAB O=C(NC1CCCC1)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223353419 MMGPUABLGMPHOD-AWEZNQCLSA-N 330.384 1.965 0 40 EDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NC2CCCC2)s1 224532877 ZSUBTZYKWADNDL-UHFFFAOYSA-N 332.451 1.744 0 40 EDAB COC(=O)c1ccc(NC(=O)c2cc(N3CCOCC3)on2)cc1 224077379 UKANAVCBQKGNDV-UHFFFAOYSA-N 331.328 1.550 0 40 EDAB Cc1cc(C)n(CCNC(=O)[C@@H](C)n2cc3c(n2)c(C)nn3C)n1 40715008 RALJLJDCLZQCPT-CYBMUJFWSA-N 329.408 1.269 0 40 EDAB COC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(N)cc1 225314097 KLWWCKSXVIHORF-UHFFFAOYSA-N 334.397 1.946 0 40 EDAB CN(C)CCCNC(=O)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 223391603 ZQCBYPYCIIEOOQ-KRWDZBQOSA-N 342.443 1.727 0 40 EDAB CCn1c(-c2ccc(C)c(OC)c2)nc2c1c(=O)[nH]c(=O)n2CC 194550450 JJXJLKZTBNFEAM-UHFFFAOYSA-N 328.372 1.910 0 40 EDAB C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H]1c1ccc(O)nn1 530076904 UISLXWXBUHCSJQ-BXUZGUMPSA-N 332.404 1.541 0 40 EDAB O=C1CO[C@]2(COCCN(Cc3ccco3)C2)CN1c1ccccc1 96051261 HQFNXUKBXBPLFJ-IBGZPJMESA-N 342.395 1.914 0 40 EDAB O=C(C1CC1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 96188151 HZAIZECHLQKLAQ-AWEZNQCLSA-N 326.400 1.863 0 40 EDAB CC(=O)N1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CCNCC3)[C@H]2C1 96156962 UITNVWSBPYWCLW-OKZBNKHCSA-N 327.428 1.419 0 40 EDAB C[C@@H](Nc1nccn2cnnc12)C1CCN(CC(F)(F)F)CC1 582160072 KPDXYYBJPULFQV-SNVBAGLBSA-N 328.342 2.199 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(C(=O)c3cccnc3)C[C@@H]12)NCC1CC1 96057175 UPMAKHQHYALZNU-ZACQAIPSSA-N 343.427 1.333 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3c(C)c(C)nc4ncnn34)CC2)o1 96419421 WCVZUJXLSLYVHA-UHFFFAOYSA-N 340.387 1.605 0 40 EDAB Cc1ccc(N2CCO[C@@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nn1 96082379 GYVKSHDOZCAZNM-IAGOWNOFSA-N 342.447 1.246 0 40 EDAB CS(=O)(=O)N[C@H]1COCCC12CCN(Cc1cccs1)CC2 96217018 YKLXSWAQGBZCOV-AWEZNQCLSA-N 344.502 1.668 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N(C)Cc2nnc(C3CC3)n2C)C1 96453031 KPYLXMNVLLONCI-TXEJJXNPSA-N 341.481 1.347 0 40 EDAB C[C@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)N1CCO[C@H](C)C1 96428109 FAVPNTDPOSZIOD-GZBFAFLISA-N 342.436 1.969 0 40 EDAB Cc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)o1 96058302 LCVNFUIXFFWQCI-IXDOHACOSA-N 334.416 1.979 0 40 EDAB COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)c1ncccn1)C2 96215866 QWHIZYAJJVXNHW-MAUKXSAKSA-N 330.432 1.297 0 40 EDAB Cn1cnnc1[C@H]1CN(C(=O)NC[C@@]2(C)CCCS2)CCO1 583623979 BPGFNBYHLQNWKS-BXUZGUMPSA-N 325.438 1.184 0 40 EDAB CN(C)C(=O)NCC[C@@]12CCO[C@@H]1CCN(CC1CCOCC1)C2 96208065 UTYMBYDZKMXKCL-AEFFLSMTSA-N 339.480 1.555 0 40 EDAB O[C@@H](CNCCN1CCOCC1)CO[C@@H]1CCCc2ccccc21 96121169 JQLAFNNWVHJEGS-PKOBYXMFSA-N 334.460 1.363 0 40 EDAB Cc1cc(CN2CC3(C2)OCC[C@H]3COCc2ccncc2)n(C)n1 248073607 YCLJGYSBZBVJKN-KRWDZBQOSA-N 342.443 1.931 0 40 EDAB CN(C)C[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn21 248089671 FDSWCURSPVLCOB-HNNXBMFYSA-N 342.399 1.299 0 40 EDAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230219 NLZNOCHSXSJILW-ZHRONYKTSA-N 334.372 1.257 0 40 EDAB 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EDAB COc1ccc(S(=O)(=O)N2CCO[C@H](c3nc(C)c[nH]3)C2)cc1 257222280 DSQVNZBBKKGVFZ-AWEZNQCLSA-N 337.401 1.489 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CCCCC2)C[C@@H]1c1ccccc1 257247497 IZGWHMKKYKYGQW-GOSISDBHSA-N 329.444 1.904 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)CN(C)C2CCCC2)n1 257252042 JTIKPLWKYAEKEQ-OAHLLOKOSA-N 334.420 1.265 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)c(C)c1F 262452321 RBZQCSKNCCLEAO-JTQLQIEISA-N 333.381 1.920 0 40 EDAB Cc1cc(C)n(-c2nc(CCNC(=O)c3ccc[nH]c3=O)cs2)n1 85473485 VOZPRKZACUFEEK-UHFFFAOYSA-N 343.412 1.606 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(C(=O)COCc3ccnn3C)C2)n1 284294394 JAVUFTSAZFIFJE-HNNXBMFYSA-N 346.435 1.084 0 40 EDAB CC1(C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 607948719 KFVYYAPEVMGCQB-GFCCVEGCSA-N 330.384 1.822 0 40 EDAB COCc1ncc(C(=O)N(C)C[C@@]2(O)CCc3ccccc32)c(N)n1 1615046642 RXOZQMFQWHTROB-SFHVURJKSA-N 342.399 1.111 0 40 EDAB N[C@@H]1CN(C(=O)NCc2ccc(Br)cn2)CC12CCC2 1615589020 IBKUOVXVFOWCQA-GFCCVEGCSA-N 339.237 1.867 0 40 EDAB 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KOFMCUSYVYYHGT-JTQLQIEISA-N 325.390 1.849 0 40 EDAB Cc1noc(NS(=O)(=O)c2ccc(NC(N)=S)cc2)c1C 5598777 XGGUTNKDMHJKLZ-UHFFFAOYSA-N 326.403 1.748 0 40 EDAB CNc1ncc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)cn1 12122184 YFFJDYCZXHLFBH-UHFFFAOYSA-N 349.398 1.634 0 40 EDAB Cc1ccc(C(=O)N2CCC(C(=O)c3cccnc3)CC2)c(=O)[nH]1 12157089 FTLXOPRBSXECNK-UHFFFAOYSA-N 325.368 1.813 0 40 EDAB CN(CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)C1CCCCC1 12996018 IKVCYMJHFAMIRZ-UHFFFAOYSA-N 332.404 1.087 0 40 EDAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 13073687 IAYBSSFCDQMHEO-AOOOYVTPSA-N 329.374 1.191 0 40 EDAB COc1ncc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2cccnc2)cn1 19572082 JBQSDPIYBPGMJM-JJTKIYQPSA-N 340.427 2.000 0 40 EDAB Cc1cc(N[C@@H](C)c2nccc(N)n2)n2nc(C(F)(F)F)nc2n1 521398479 JGONCEHBJMCVOS-ZETCQYMHSA-N 338.297 1.997 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 253472298 LGTNAASIKUDDHJ-CXAGYDPISA-N 340.383 1.769 0 40 EDAB COCCOc1ccc(NC(=O)C2(n3cnnn3)CC2)cc1Cl 585101354 AGEUFGLXCVKWPQ-UHFFFAOYSA-N 337.767 1.480 0 40 EDAB O=C(COC(=O)COc1ccc(Cl)cc1)NC[C@@H]1CCCO1 3242278 PXWXIPVPDYCWKX-ZDUSSCGKSA-N 327.764 1.557 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O 16463007 HXGZTFZAXVMRNT-INIZCTEOSA-N 339.342 1.504 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cnc[nH]5)C[C@H]4C3)n1)CCC2 1888867062 JIQMDNYGYCWXGF-CHWSQXEVSA-N 338.415 1.205 0 40 EDAB COc1ccc([C@@H](NC(=O)c2cnn(C)c2)c2nccn2C)cc1 24025891 UYRCZLYFLSPMIF-OAHLLOKOSA-N 325.372 1.682 0 40 EDAB COc1cnc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CCO3)nc1 1614940513 QBFBSKVSPQDVTO-CYBMUJFWSA-N 334.420 1.201 0 40 EDAB C[C@@H]1CN(C(=O)c2csnn2)C[C@]12CCN(c1cccnc1)C2=O 1614929481 OKUPLAWQOUFXIQ-BDJLRTHQSA-N 343.412 1.448 0 40 EDAB COc1ccccc1S(=O)(=O)NC[C@]1(O)CCCc2occc21 1565522593 LBBQRXAJVYHXMH-MRXNPFEDSA-N 337.397 1.791 0 40 EDAB O=C(O)c1ccc(-c2ccc(/C=c3\sc4ncnn4c3=O)o2)cc1 10386576 AFVFNWCVFIMDLC-QPEQYQDCSA-N 339.332 1.657 0 40 EDAB O=C(COc1ccc(F)cc1)NCc1nnnn1-c1cccc(F)c1 10593565 BVANWBCBUQHYNI-UHFFFAOYSA-N 345.309 1.636 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2ccsc2)C1 2055772881 QPRNPGDTZSGWAO-INIZCTEOSA-N 332.429 1.251 0 40 EDAB CNC(=O)[C@@H]1CCc2ncc(CNC(=O)[C@]3(C)CC=CCC3)n2C1 2055772434 IPRRSTXSNGVFTH-FZKQIMNGSA-N 330.432 1.554 0 40 EDAB C[C@@](O)(CNS(=O)(=O)c1c(F)cccc1F)Cc1ccco1 206618277 SCERHINXDWRHSE-AWEZNQCLSA-N 331.340 1.830 0 40 EDAB O=C(NC[C@H](OCCO)c1cccs1)c1ccc2c(c1)OCO2 575618703 BEDZJPOMWBIQPL-AWEZNQCLSA-N 335.381 1.957 0 40 EDAB c1cc(N2CCN(c3ncnc4c3CCC4)CC2)nc(-n2ccnc2)c1 2298065710 ARAOSRQUAUYYNA-UHFFFAOYSA-N 347.426 1.873 0 40 EDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1nc2c(s1)CCC2 71285745 ZMTHSEJBAUPWRM-UHFFFAOYSA-N 344.400 1.243 0 40 EDAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 100090895 RDCHQYFNINCDCX-KBPBESRZSA-N 337.335 1.220 0 40 EDAB Cn1c(C(=O)NCCN)cc(Br)c1Br 20282190 CTPZYAIWMMFGQE-UHFFFAOYSA-N 325.004 1.239 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)C1 40496937 ODLDYUVZFMGKMB-CYBMUJFWSA-N 340.445 1.866 0 40 EDAB Cc1nc(-c2ccc(OCc3nc(N)nc(N(C)C)n3)cc2)no1 40475837 GFEIHFJSGCNEQQ-UHFFFAOYSA-N 327.348 1.457 0 40 EDAB Cc1cccc(C)c1OCC(=O)NC1CCN(S(C)(=O)=O)CC1 40497283 KIBCWXAIRQRTFY-UHFFFAOYSA-N 340.445 1.222 0 40 EDAB COC(=O)[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(C)C 77544 RJLHJJDUJRUASU-ZDUSSCGKSA-N 325.361 1.640 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)NC[C@H](C(C)C)N1CCOCC1 45487124 BKUNBQMGIHSKBV-MRXNPFEDSA-N 338.452 1.790 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)c2cccnc12 59019204 SLNKUERGQFGRMT-CYBMUJFWSA-N 333.413 1.490 0 40 EDAB Cc1ccc(-c2nnn(CC(=O)Nc3ccc(N(C)C)cc3)n2)o1 417238 SXSFKBYQIQSFGY-UHFFFAOYSA-N 326.360 1.946 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1ccc(-n2cccc2)cc1 40554787 HYPLVRAWBLYMKN-UHFFFAOYSA-N 329.381 1.903 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cn1 40510520 AFHRGCWRIIHKEK-GFCCVEGCSA-N 344.337 1.639 0 40 EDAB CN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1cnn(C)c1 40527993 KTXDJIMJOJTSDY-UHFFFAOYSA-N 329.809 1.773 0 40 EDAB C[C@H](C(=O)NCc1cccnc1OCc1ccccc1)S(C)(=O)=O 40541207 QRLKPXHVJJQGNE-CYBMUJFWSA-N 348.424 1.710 0 40 EDAB O=C(NCCN1CCOCC1)NCc1cnn(-c2ccccc2)c1 40539926 JQOBOMVCMHQTTP-UHFFFAOYSA-N 329.404 1.004 0 40 EDAB CC(C)c1noc(CCCC(=O)N2CCN(c3ncccn3)CC2)n1 40515953 GRBNMVIRMMONGY-UHFFFAOYSA-N 344.419 1.655 0 40 EDAB C[C@H]1CN(CCNC(=O)CCc2nc(C(C)(C)C)no2)C[C@H](C)O1 40516192 BWVKQUNKPGPLEM-STQMWFEESA-N 338.452 1.525 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(c2cnccn2)CC1 11546563 JZSLCYQWNAYLMH-SUMWQHHRSA-N 340.383 1.354 0 40 EDAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(C)no2)C1 51052782 YQLBADVIXIFKJS-TZMCWYRMSA-N 336.436 1.938 0 40 EDAB CCc1cc2c(NCCC(=O)N3CCN(C)CC3)ncnc2s1 31866438 RFYJXKQJGSMGOF-UHFFFAOYSA-N 333.461 1.830 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)Cc1ccc(OC)c(OC)c1 101177152 XARKSACSWLDSFM-LUVWLHFXSA-N 347.411 1.950 0 40 EDAB CN(C)C(=O)N[C@H]1CCOC2(CCN(Cc3cnn(C)c3)CC2)C1 108525351 FHLJGFAIWNYEPL-HNNXBMFYSA-N 335.452 1.205 0 40 EDAB Cc1cc(C)n(C2CN([C@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)n1 69571670 PGKJLWVLHOOXHP-CQSZACIVSA-N 330.436 1.734 0 40 EDAB COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)Nc1ccon1 11741356 UAKKWIFVQXESFP-UHFFFAOYSA-N 348.311 1.447 0 40 EDAB CCCOc1ccc(S(=O)(=O)N[C@@H](C)CN2CCOCC2)cc1 46035608 RCWRONKJRMZVAT-AWEZNQCLSA-N 342.461 1.474 0 40 EDAB CCS(=O)(=O)CC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C 46138490 JVMAYDSEYVAODL-LBPRGKRZSA-N 347.458 1.082 0 40 EDAB COC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C)C(=O)OC 32412986 RHONBZNOYUYPSD-JTQLQIEISA-N 349.792 1.031 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCC(CC(N)=O)CC1)C1CCCCC1 46313381 BKFZNEBUJKFLBR-INIZCTEOSA-N 338.496 1.794 0 40 EDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 102062514 HOHXUPJXAPUKSF-HUBLWGQQSA-N 336.413 1.886 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)c2cn(C)c3ccccc23)CC1 32907988 BBTPPUCJDHHXTQ-UHFFFAOYSA-N 349.456 1.722 0 40 EDAB Cn1cc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2ccncc2)cn1 107721630 OGJQTSOTSUFGOZ-OKZBNKHCSA-N 328.416 1.764 0 40 EDAB COc1ccnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1 52721579 KXYKUFRZTXUEAZ-GJZGRUSLSA-N 347.463 1.112 0 40 EDAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccco1 8197445 LPHZNMWHXDPBBU-LLVKDONJSA-N 337.401 1.386 0 40 EDAB COC(=O)C1=NN[C@@]2(CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 547909 MZCFCKPOAIXPCV-OAHLLOKOSA-N 335.747 1.173 0 40 EDAB O=C(CCc1nc(-c2cccnc2)no1)N1CCO[C@@H]2CCC[C@@H]21 53384749 KFBRMDRKAIRZTR-UONOGXRCSA-N 328.372 1.844 0 40 EDAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 103478708 JFGHOLDGIPCTTE-UJARPBSLSA-N 336.391 1.987 0 40 EDAB Cc1nn(C)c(C)c1CNc1c(NCc2ccccn2)c(=O)c1=O 101697937 RKBXHFVGZXLRIW-UHFFFAOYSA-N 325.372 1.252 0 40 EDAB Cc1cn(CC(=O)N2CCCC[C@@H]2CNC(N)=O)c2ccccc12 104374732 KDLYAXCMNHWYBC-CQSZACIVSA-N 328.416 1.999 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 42535774 HCWYCOWTHNAVJS-KBPBESRZSA-N 330.388 1.533 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)CC3CCCC3)CC2)C1 108533171 CFAXTJRBWCLGFI-UHFFFAOYSA-N 328.478 1.887 0 40 EDAB CN1C[C@@H](C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CC1=O 47431177 OMCPRRZGSFEUDO-HNNXBMFYSA-N 333.407 1.338 0 40 EDAB C[C@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1nncn1C 43080504 SZGPGUVWBXAXSE-NSHDSACASA-N 331.376 1.189 0 40 EDAB CC(=O)NCC1CCN(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 43078089 OGLSMDWIZZPVSY-OAHLLOKOSA-N 347.415 1.384 0 40 EDAB Cc1cc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n2ncnc2n1 24767983 MVYWYICKVNXRNQ-UHFFFAOYSA-N 345.794 1.377 0 40 EDAB O=C(O)[C@H]1CN(C(=O)c2cc(F)ccc2Br)CCO1 43700397 GFIHIQSBAIKMDH-SNVBAGLBSA-N 332.125 1.514 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C[C@@H]2C=CCC2)s1 26057215 IHUSXBYNPHXJEB-LLVKDONJSA-N 328.459 1.971 0 40 EDAB O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)NC1CC1 35336340 RHKHDSJMYMECMM-UHFFFAOYSA-N 333.457 1.273 0 40 EDAB Cc1cccc(CN2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)c1 44336424 ICKYBIGLTIJUIP-KRWDZBQOSA-N 329.444 1.508 0 40 EDAB O=C(NCCCN1CCCC1=O)NC[C@H]1COc2ccccc2O1 44890927 CDYINHFZFPYALY-ZDUSSCGKSA-N 333.388 1.138 0 40 EDAB C[C@H]1CN(CCNC(=O)NCCc2cn3ccccc3n2)C[C@@H](C)O1 44953475 JYFUGOQQLHFLPU-GASCZTMLSA-N 345.447 1.285 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)C[C@H](C)O1 44968608 LLFFVSATOAUZEL-RYUDHWBXSA-N 330.392 1.740 0 40 EDAB Cc1cccc(-c2noc(CS(=O)(=O)CCC(=O)N(C)C)n2)c1 44938836 ALQWIQDNPNHODJ-UHFFFAOYSA-N 337.401 1.438 0 40 EDAB O=C(c1cccc(N2C(=O)c3cccnc3C2=O)c1)N1CCOCC1 408722699 WFXULUREOHCXNU-UHFFFAOYSA-N 337.335 1.355 0 40 EDAB C[C@H](COCC(F)(F)F)NC(=O)c1ccnc(-n2ccnc2)c1 58390628 KLRIMBMDIAPWED-SNVBAGLBSA-N 328.294 1.965 0 40 EDAB C[C@@H](C(=O)N1CCCC1)S(=O)(=O)Cc1nc(C(C)(C)C)no1 58621898 NYSBRKMMXQJADL-JTQLQIEISA-N 329.422 1.293 0 40 EDAB O=c1cc(CN2CCN(c3ccc(O)cc3)CC2)nc2sccn12 3319825 SRKUCNHATWGQBW-UHFFFAOYSA-N 342.424 1.784 0 40 EDAB Cc1noc(C)c1CN1C(=O)C(=O)N(CCc2cccs2)C1=O 48287242 SKSZJUIOTMKQDH-UHFFFAOYSA-N 333.369 1.886 0 40 EDAB COc1ccc(OC)c2c1CN(C(=O)NC[C@H]1CCCO1)C[C@@H]2O 48286703 GBAJIIDAZNVPMH-YPMHNXCESA-N 336.388 1.441 0 40 EDAB Cc1nc(SCC(=O)N2CCNC2=O)n(C[C@H]2CCCO2)c1C 48355211 UVTLCWPSJRYLPZ-GFCCVEGCSA-N 338.433 1.323 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(N2CCOCC2)c1 62404827 SNGAKZJGSMXNQD-ZIAGYGMSSA-N 348.447 1.948 0 40 EDAB Cn1nc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c2ccccc2c1=O 69669217 USGBOLMVJNJJOR-CYBMUJFWSA-N 337.383 1.607 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCCCN2CCCCC2)ccc1F 13031083 SAZJTUZTQQMIMX-UHFFFAOYSA-N 344.408 1.678 0 40 EDAB CCNC(=O)CN1CCN(C(=O)C[C@@H](C)CCc2ccccc2)CC1 63644037 HNPSJRMPTONLRF-KRWDZBQOSA-N 345.487 1.926 0 40 EDAB O=C(CCn1cncn1)NCCOc1cccc(Br)c1 49318323 AGJSIGFFUYHBEI-UHFFFAOYSA-N 339.193 1.626 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H]1CCCCC1=O 6120969 LMCKJYYWNUMGBA-CYBMUJFWSA-N 327.358 1.011 0 40 EDAB COC(=O)C1CCN([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 8471192 UFJYRAJUUNQDRD-ZDUSSCGKSA-N 347.415 1.286 0 40 EDAB NC(=O)CN1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 65553356 DEHPJDAKMCPCRF-UHFFFAOYSA-N 343.349 1.268 0 40 EDAB S=c1sc(NC2CC2)nn1CN1CCN(c2ncccn2)CC1 14138120 WCPKUITYYLQKDB-UHFFFAOYSA-N 349.489 1.818 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4512379 JRDUHJWDRYKTQG-AJJFPUDKSA-N 329.352 1.674 0 40 EDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1nnc(C(F)(F)F)[nH]1 65626488 ITUCNALZAZZUKT-QMMMGPOBSA-N 345.281 1.810 0 40 EDAB Cc1cnc(C(=O)NCC(=O)Nc2ccccc2Br)cn1 6510792 IYMQLMGTZAUTBU-UHFFFAOYSA-N 349.188 1.916 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cn1 69967391 CMALELGXIOISGN-CMPLNLGQSA-N 344.337 1.494 0 40 EDAB COCCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 6719089 IFYQYAWWDJIIGC-QWHCGFSZSA-N 326.443 1.408 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)c2cccc3[nH]ncc23)CC1 69947139 PKVVKCYBYHHTTQ-MRXNPFEDSA-N 330.432 1.728 0 40 EDAB CCc1nn(C)cc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 92215439 MTBHDKWNOBLIHW-UHFFFAOYSA-N 332.448 1.847 0 40 EDAB CCOC(=O)[C@@H](c1ccccc1)N1CCN(c2ncccn2)CC1 67472389 QDOIYUPJPHZGCR-MRXNPFEDSA-N 326.400 1.903 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)CSc2nnc(C)n2C)c1 7234690 SDYVGRCOJOXTCH-UHFFFAOYSA-N 334.401 1.949 0 40 EDAB CCc1cc(NCCCNS(C)(=O)=O)nc(-c2ccncc2)n1 68662959 RLZLQXPUQKTASN-UHFFFAOYSA-N 335.433 1.452 0 40 EDAB O=C(NCCN1CCCCC1)C(=O)Nc1cccc2ncccc12 9184544 BDZWQRLUDHMRTF-UHFFFAOYSA-N 326.400 1.775 0 40 EDAB NC(=O)[C@@H](NC(=O)CCc1nc(-c2ccco2)no1)c1ccccc1 71796184 NMBRXOHOSVNXHF-HNNXBMFYSA-N 340.339 1.605 0 40 EDAB CC(C)c1noc(CN2CCN(C(=O)[C@H](C)n3ccnc3)CC2)n1 71839622 GMOTWWBNNUKZBX-ZDUSSCGKSA-N 332.408 1.295 0 40 EDAB CCOc1ccc(CNC(=O)N2CCS(=O)(=O)CC2)cc1OC 71803888 BSFPVDDVYWUUKL-UHFFFAOYSA-N 342.417 1.034 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)NCc2ccnc(N(C)C)c2)C1 89840202 QTMDOKFYOOQMKX-INIZCTEOSA-N 349.479 1.304 0 40 EDAB O=C1NC[C@H](C(=O)NCc2ccc(OCc3ccccc3)cc2)N1 89836773 KNWJLENFWQJXNL-MRXNPFEDSA-N 325.368 1.563 0 40 EDAB C[C@@H]1CN(C)CCN1CC(=O)NCCOc1cccc(Cl)c1 89939022 DCYVGWDOPOHYIV-CYBMUJFWSA-N 325.840 1.471 0 40 EDAB C[C@H](NC(=O)[C@H](C)N1CCN(C)C[C@H]1C)c1ccc2c(c1)OCCO2 89938874 JCIMUJHLXKUFHH-ILXRZTDVSA-N 347.459 1.659 0 40 EDAB O=C(CCOc1cccc(F)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269071 WBJYULGQVAAXDM-DLBZAZTESA-N 336.407 1.652 0 40 EDAB Cc1nsc(N2CCN(c3ncc(C(N)=O)cc3Cl)CC2)n1 72296192 JCPWWXGRUOBKIE-UHFFFAOYSA-N 338.824 1.320 0 40 EDAB COCC(=O)NCc1ccc(S(=O)(=O)Nc2nccs2)cc1 72298224 AXQNTOGIRPJDLX-UHFFFAOYSA-N 341.414 1.207 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCC[C@@H]2Cn2cccn2)c2ccccc21 72279999 DXRTVHYMSSIRGP-CQSZACIVSA-N 339.399 1.228 0 40 EDAB Cc1cnn(C2CN(CC(=O)Nc3cc(C(C)(C)C)nn3C)C2)c1 72253877 DSVKSEMQTNIXQA-UHFFFAOYSA-N 330.436 1.718 0 40 EDAB CN(Cc1nccs1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 97045758 UCCXOUVMWVRDHV-OAHLLOKOSA-N 340.470 1.886 0 40 EDAB Cc1nc(C[C@H]2CCCN(c3nnnn3-c3ccccc3)C2)no1 97047814 NKJFBAWXURYVJU-CYBMUJFWSA-N 325.376 1.813 0 40 EDAB CC(=O)N1CCCN([C@@H]2CN([C@H](C)c3nc(C)no3)C[C@@H]2C)CC1 84281583 KAXNHSRYSPAUIA-WOSRLPQWSA-N 335.452 1.314 0 40 EDAB O=C1CC[C@@H](NC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CN1 72301241 LJOSUEBLTHKFSZ-LLVKDONJSA-N 333.779 1.926 0 40 EDAB COCCOc1ccccc1C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 76052155 LLKGGNGDYPBZMU-RDJZCZTQSA-N 348.443 1.505 0 40 EDAB CN(C)[C@@H](CNc1ncnc2c1cnn2CCO)c1ccc(F)cc1 97200284 ZVIUHSFRNKAKQZ-HNNXBMFYSA-N 344.394 1.673 0 40 EDAB Cn1cc([C@]2(C)CN(C(=O)[C@@H](C3CC3)N3CCCC3)CCO2)cn1 97376265 PURMMYBUVJJHTI-AEFFLSMTSA-N 332.448 1.369 0 40 EDAB CCN1CCOC[C@H]1C(=O)O[C@@H]1CCCN(c2cc(C)nc(C)n2)C1 95461519 UHXCSWBHNILIFS-CVEARBPZSA-N 348.447 1.326 0 40 EDAB COCCOc1ccc(CNC(=O)c2cnc3ccccn23)cn1 95416641 UHVADHJYUDWKLX-UHFFFAOYSA-N 326.356 1.685 0 40 EDAB O=C(NCCNC(=O)c1cccnc1)N[C@H]1CCc2c(O)cccc21 73654980 SVJNNFFSCJQPPL-HNNXBMFYSA-N 340.383 1.504 0 40 EDAB CS(=O)(=O)Cc1cccc(NS(=O)(=O)N2CCCCCC2)c1 78998396 YIBWPMYSNAWACS-UHFFFAOYSA-N 346.474 1.764 0 40 EDAB CCn1cc(S(=O)(=O)N(CCCO)[C@@H]2CCc3ccccc32)cn1 89309884 NQAIAWIWLDQFCL-QGZVFWFLSA-N 349.456 1.964 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)c(=O)[nH]1 75120014 DWZJHPWPGHXWEP-CYBMUJFWSA-N 342.399 1.233 0 40 EDAB Cc1csc(NC(=O)Cn2ccc3oc(=O)cc(C)c3c2=O)n1 1547203732 CRVDEJPSGUYNQO-UHFFFAOYSA-N 331.353 1.667 0 40 EDAB Cc1ncsc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccco3)[C@H]2C1 306131635 KKTJQNAAXMAWAQ-GZBFAFLISA-N 347.440 1.921 0 40 EDAB CCn1cc(CN2CC3(C[C@H](Oc4cncc(C)n4)CCO3)C2)cn1 306136362 PRDISGBIFVVRAB-MRXNPFEDSA-N 343.431 1.814 0 40 EDAB CCCS(=O)(=O)N1CCC(NC(=O)Cc2c(C)noc2C)CC1 36391314 FHORWXMCCAIPTA-UHFFFAOYSA-N 343.449 1.154 0 40 EDAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)COC 217528891 KSEPVTOZSFSYFZ-NSHDSACASA-N 344.433 1.910 0 40 EDAB Cc1c[nH]cc(C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)c1=O 514622159 JLUCPNSOIVFWAJ-INIZCTEOSA-N 325.412 1.682 0 40 EDAB CC(=O)N1CCN(Cc2cccc(NC(=O)c3ccccn3)c2)CC1 187163741 HFDPOYHEFVDCQE-UHFFFAOYSA-N 338.411 1.998 0 40 EDAB CC(C)[C@@H](C(=O)/N=c1\[nH]nc(-c2ccccc2F)[nH]1)N1CCCC1=O 79099355 NEGZKCHWNRDYQR-AWEZNQCLSA-N 345.378 1.618 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCCO 33782485 LNTVRZSJCVUILQ-LBPRGKRZSA-N 336.413 1.005 0 40 EDAB CC(C)Cc1noc(CSc2nnc(N3CCOCC3)n2C)n1 30976271 GZRGGZKSFDVJJZ-UHFFFAOYSA-N 338.437 1.526 0 40 EDAB O=S(=O)(Cc1cccc(Cl)c1)N1CCC[C@H]1Cn1nccn1 670854181 PYCFTRZDOVRQJG-AWEZNQCLSA-N 340.836 1.926 0 40 EDAB COCCNc1ccc(C[C@@H]2CCCN(Cc3noc(C)n3)C2)nn1 72387346 MXAQQFCHDCXZMO-AWEZNQCLSA-N 346.435 1.681 0 40 EDAB CC[C@@H](CO)N(C(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 217375661 KVUVBWWRDKZBRC-GJZGRUSLSA-N 325.430 1.016 0 40 EDAB Cc1ccc(C2(C(=O)NCCN3CCOCC3)CCOCC2)cc1 72265201 ZDIOPEMJPJNVTP-UHFFFAOYSA-N 332.444 1.492 0 40 EDAB CCc1nc(NC(=O)NCc2nc3cc(OC)ccc3[nH]2)nn1C 48302733 BXNRQQSMONPFRL-UHFFFAOYSA-N 329.364 1.584 0 40 EDAB Nc1ccc2c(N3CCC[C@@H]3C(=O)NCc3ccco3)ncnc2n1 134900305 YSAXGPVYXKQYFD-CYBMUJFWSA-N 338.371 1.485 0 40 EDAB O=C(NCCCn1ccnc1)c1ccnc(O[C@@H]2CCSC2)c1 225719224 MHVAHTYTHZOWNO-CQSZACIVSA-N 332.429 1.983 0 40 EDAB COC[C@@H]1CN(C(=O)C[C@@H]2COc3cc(OC)ccc32)C[C@H](C)O1 527134901 GBGXPRUCCMVSHK-GUTXKFCHSA-N 335.400 1.824 0 40 EDAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(C(=O)CCn1cccn1)[C@@H]3C2 195556323 ITEYVQFNOBPAPM-IOASZLSFSA-N 337.445 1.640 0 40 EDAB C[C@@H]1Oc2cc(S(=O)(=O)Nc3nccs3)ccc2NC1=O 220237338 VIPIEAZGOAVWMF-ZETCQYMHSA-N 325.371 1.663 0 40 EDAB Cc1nc(=O)[nH]c(C)c1CCC(=O)NCCc1ccc2c(c1)CCO2 225388442 FOYRCSOHVGXMMZ-UHFFFAOYSA-N 341.411 1.613 0 40 EDAB COc1cc(NC(=O)[C@H](C(=O)O)C(C)C)ccc1NS(C)(=O)=O 581254572 NUBVSQAPGXNFAT-GFCCVEGCSA-N 344.389 1.362 0 40 EDAB Cc1nc(CN2CC[C@@H]3[C@@H]2CCN3S(=O)(=O)C2CC2)cs1 96184517 LEOVXOWCJQGURJ-UONOGXRCSA-N 327.475 1.592 0 40 EDAB O=C(N1CCCC1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 96055059 CQNHOIKUOVSLAZ-SJORKVTESA-N 330.432 1.573 0 40 EDAB CNC(=O)NC(=O)CCN1CCO[C@@H](c2ccccc2Cl)C1 96404054 WYHGQLIISQXTAI-CYBMUJFWSA-N 325.796 1.559 0 40 EDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)Cc2cccs2)cn1 96186510 BUHCNLFCIGLVIK-HUUCEWRRSA-N 344.440 1.821 0 40 EDAB CC(C)[C@@H](C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1)N(C)C 97231466 ZVOMLDBFWIERLG-AWEZNQCLSA-N 326.485 1.661 0 40 EDAB O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)[C@@H]1CCCOC1 96432138 OVGSITRXPNZMHD-WCXIOVBPSA-N 328.412 1.686 0 40 EDAB O=C(c1ccncn1)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107545 LCAIBCGHXGWFJK-KSSFIOAISA-N 340.383 1.714 0 40 EDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)c3ccco3)C[C@H]21 96081726 XGMOKBHRWVKSBG-ZBFHGGJFSA-N 331.372 1.610 0 40 EDAB CC[C@]1(C(=O)OC)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 231643632 ZGXVQNNROBNADB-ZFRZLUBXSA-N 334.347 1.023 0 40 EDAB O=C(c1cccnc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1ccccn1 96058050 YTZWDNHLHWNBHF-ZMSDIMECSA-N 325.368 1.928 0 40 EDAB C[C@@H](Cc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCOCC1 91372902 UEGXLODMGBBRHO-ZDUSSCGKSA-N 346.880 1.523 0 40 EDAB O=S(=O)(C1CC1)N1CCC2(CC1)C[C@@H](Oc1cccnc1)CO2 96221771 RLBXMFWPLWSFTD-CQSZACIVSA-N 338.429 1.576 0 40 EDAB CS(=O)(=O)C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 96098198 ISDATPFAHBVBPI-UHFFFAOYSA-N 335.381 1.442 0 40 EDAB O=C(c1ccncc1)N1Cc2nccn2C[C@H](CN2CCCC2)C1 96066944 LNCJMBDDEZJCMX-HNNXBMFYSA-N 325.416 1.646 0 40 EDAB O=C(CCc1ccccn1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 580588693 RFJGPOQFIBPMRO-OAHLLOKOSA-N 336.399 1.770 0 40 EDAB COCCN1C(=O)N[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)CC[C@@H]21 585655534 LFDZBRZSZVTDSG-CVEARBPZSA-N 342.399 1.423 0 40 EDAB CC(=O)N1CCC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 96268665 WAZLNVAZDWUXSR-UHFFFAOYSA-N 336.457 1.851 0 40 EDAB CCc1cnccc1C(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1 583618986 PSFBAVYCNGPMTP-GOSISDBHSA-N 343.431 1.940 0 40 EDAB Cc1cc(CN2CCn3cc(C(=O)N4CCOCC4)nc3[C@H]2C)no1 247921559 OCPIALRYNXHVJF-CYBMUJFWSA-N 345.403 1.229 0 40 EDAB O=C([C@H]1CCOC1)N1CCOC[C@H]1c1nc(-c2ccccc2)no1 240756977 HVTHEISQYNDNLK-KBPBESRZSA-N 329.356 1.673 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCOC[C@@H](Cc2ccncn2)C1 257321371 WBJRLQODZAOAFJ-ZDUSSCGKSA-N 341.367 1.537 0 40 EDAB C[C@H](CN[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCOC[C@H]1C 253369906 JRGBBMBWNQEOKL-IIAWOOMASA-N 338.473 1.604 0 40 EDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(Cc2cc(C)on2)C3)n1 253479804 SLEYYXJQHBIJHM-OAHLLOKOSA-N 330.388 1.894 0 40 EDAB Cc1ccc(CN2CCC[C@H](Cc3[nH]ncc3S(C)(=O)=O)C2)cn1 257299275 RPKADAWCHZKGFF-CQSZACIVSA-N 348.472 1.971 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1 257254292 KCMOLSVXOZSUNB-MRXNPFEDSA-N 343.431 1.616 0 40 EDAB Cc1cc(-c2ccnn2C)nc([C@H]2CCCCN2S(C)(=O)=O)n1 257320244 VVXMTTABLFLFQO-CQSZACIVSA-N 335.433 1.672 0 40 EDAB CC(=O)NC1CCN(C(=O)c2cccc(-c3cncnc3)n2)CC1 257290914 QEUWOPXPMSGCQZ-UHFFFAOYSA-N 325.372 1.279 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)C2(c3ccccc3F)CC2)CC[C@@H]1O 257305414 SPWVVTGEIVNFPQ-HOTGVXAUSA-N 334.391 1.345 0 40 EDAB COc1ccc(OCC(=O)N2CCOC[C@H]2c2nc(C)c[nH]2)cc1 257261272 LGNAXXRHHKLYLE-HNNXBMFYSA-N 331.372 1.706 0 40 EDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)c2cc(C)on2)C3)n1 253479741 SAADPMJRSMUAOL-ZDUSSCGKSA-N 344.371 1.534 0 40 EDAB C[C@]1(c2ccccc2)CN(C(=O)C[C@H]2CCCS2(=O)=O)CCO1 585132103 OIUVFBOIKGMWOF-NVXWUHKLSA-N 337.441 1.728 0 40 EDAB O=C(NCCCCO)[C@@H]1CN(Cc2ccccc2)C[C@]12CCOC2 585122125 OFDDMGLPHBFXBY-HKUYNNGSSA-N 332.444 1.414 0 40 EDAB CCOCC[C@H](O)Cn1cnc2c(ncn2-c2ccccc2)c1=O 585138104 ODEOWEYTTOSKOQ-AWEZNQCLSA-N 328.372 1.370 0 40 EDAB O=C([C@H]1CCC[C@@]12CCN(Cc1cccnc1)C2)N1CCOCC1 253615442 OJWFSXGKBVUKID-MJGOQNOKSA-N 329.444 1.933 0 40 EDAB COC1(C(=O)Nc2cc(C(=O)O)cc(S(C)(=O)=O)c2)CCC1 263526872 KJGYHWLZYAYCEE-UHFFFAOYSA-N 327.358 1.296 0 40 EDAB O[C@]1(COc2ccc(F)cc2)COCCN(C2CCOCC2)C1 585269079 JQLQFICTCXZHCJ-KRWDZBQOSA-N 325.380 1.447 0 40 EDAB CNC(=O)[C@H]1CN(C(C)C)CCN1C(=O)c1cccc(N(C)C)c1 585168400 REPLRZBIDCHHHU-MRXNPFEDSA-N 332.448 1.033 0 40 EDAB CC(=O)N1C[C@H](CC(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](O)C1 585280251 KZRXTLHQIBEZRO-OALUTQOASA-N 344.455 1.697 0 40 EDAB O=C(CN1CSCC1=O)NCc1ccnc(OC2CCCCC2)c1 58229857 JJMAMDSOMJIZIK-UHFFFAOYSA-N 349.456 1.942 0 40 EDAB CCN(C)C(=O)[C@H]1CSCN1C(=O)C1=NO[C@H](c2ccccc2)C1 69654780 QPWJFSFWAVCAOK-CABCVRRESA-N 347.440 1.884 0 40 EDAB COc1ccc(C(=O)N2CCN(C[C@H](O)C3CC3)CC2)c(OC)c1 85436607 QZSQBEOPEMLEHX-INIZCTEOSA-N 334.416 1.233 0 40 EDAB O=S(=O)(c1cncc(Cl)c1)N1CC[C@](O)(C(F)(F)F)C1 95437311 VYWJEHUSRDODCB-SECBINFHSA-N 330.715 1.423 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)NCc3ccco3)n2)o1 12182893 OMAGPFZBZLDXQB-NSHDSACASA-N 342.355 1.864 0 40 EDAB COc1ccc(COC[C@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 12796914 DSTFGZORWFAQKY-KDOFPFPSSA-N 348.399 1.293 0 40 EDAB CC(C)(C)C(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23232485 TUSXHQOIXKUQTQ-UHFFFAOYSA-N 346.410 1.492 0 40 EDAB CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)C1(C(=O)O)CC1 582907309 AGQIPTPBXCTBPW-UHFFFAOYSA-N 343.282 1.840 0 40 EDAB CSCC[C@H](NC(C)=O)C(=O)N1CCC[C@@H](c2ccn(C)n2)C1 390831274 QVWPEHZZLIQKSU-HIFRSBDPSA-N 338.477 1.384 0 40 EDAB CN(C(=O)CSc1nc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 5033997 WOWKNVKDWKDWAX-SNVBAGLBSA-N 340.426 1.565 0 40 EDAB CN([C@@H]1CCCN(c2ncnc3[nH]ccc23)C1)S(=O)(=O)C1CC1 1888853823 BNFRFESSRUQFJI-LLVKDONJSA-N 335.433 1.351 0 40 EDAB CCc1cc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)ncn1 1888854692 RGCNZKTUGJLOBX-UHFFFAOYSA-N 339.447 1.756 0 40 EDAB O=C1CN(C2CN(C(=O)CCc3c(F)cccc3Cl)C2)CCN1 1888863573 RREYABIUVRLUKJ-UHFFFAOYSA-N 339.798 1.054 0 40 EDAB COC(=O)C1=CN(Cc2cc(F)cc(F)c2)S(=O)(=O)N=C1C 1888916661 KDSBEYZHTSRQJB-UHFFFAOYSA-N 330.312 1.543 0 40 EDAB CCCc1nnc(NC(=O)Cn2c(=O)cnc3ccccc32)s1 18840663 DSSSNBCAJLTPAF-UHFFFAOYSA-N 329.385 1.839 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCOc1ccc(F)cc1 30481088 XQIITHZCAXXCQF-AWEZNQCLSA-N 344.408 1.135 0 40 EDAB COc1cccc(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)c1OC 2037984211 UHPHMLXWCXTDMM-GJZGRUSLSA-N 334.416 1.383 0 40 EDAB Cc1ccc(CNC(=O)CN2CCC[C@@H](NC(=O)C3CC3)C2)cc1 1404658965 XZIWPTYGPDZEBN-QGZVFWFLSA-N 329.444 1.602 0 40 EDAB O=C(C1CC(F)(F)C1)N1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 1565549718 AGSDIEDWSRDOMQ-BFHYXJOUSA-N 342.386 1.518 0 40 EDAB COc1cccc(C(=O)NCc2nnnn2-c2ccc(F)c(F)c2)c1 9570851 OJRXICJBMUGTNH-UHFFFAOYSA-N 345.309 1.879 0 40 EDAB Cn1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)nn1 38677220 CANRJUXWPAPABA-UHFFFAOYSA-N 337.386 1.081 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1cccc(OC)c1 2431398 IYSVJUDNDFMMFE-CYBMUJFWSA-N 342.351 1.560 0 40 EDAB COCCc1nsc(N2CCn3c(nnc3C(F)(F)F)C2)n1 426900255 FIODKEIDBIYWKA-UHFFFAOYSA-N 334.327 1.358 0 40 EDAB COC(=O)Nc1nc(CC(=O)NCc2cn3ccccc3n2)cs1 36709276 YPLLDMAFCVGQGP-UHFFFAOYSA-N 345.384 1.828 0 40 EDAB COc1ccc2[nH]c3c(=O)n(CCCN4CCOCC4)cnc3c2c1 13635046 BMLDWXSIWBGBAR-UHFFFAOYSA-N 342.399 1.609 0 40 EDAB O=C(NCCOc1ccc(F)cc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 40074082 ADPWNAOKYPABGH-SNVBAGLBSA-N 348.296 1.732 0 40 EDAB CCCS(=O)(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 30139439 KKEZRINJIPGLPA-UHFFFAOYSA-N 349.460 1.069 0 40 EDAB O=C(Nc1nnc2ccccn12)[C@H]1CC(=O)N(CC(F)(F)F)C1 30711272 PXWCUISNSSDIPO-QMMMGPOBSA-N 327.266 1.079 0 40 EDAB O=C(CN1CCN(Cc2nnsc2Cl)CC1)N1CCCCC1 40475916 HSXNLTAOZZHCHX-UHFFFAOYSA-N 343.884 1.322 0 40 EDAB Cc1ccc([C@H](CNC(=O)c2ccc[nH]c2=O)N2CCOCC2)o1 40477369 RTTXZROLARVXFJ-AWEZNQCLSA-N 331.372 1.080 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(OC[C@@H]2CCCO2)cc1 40467890 QFQLGGRSHMMXHF-HIFRSBDPSA-N 339.413 1.161 0 40 EDAB COC(=O)C[C@@H](NC(=O)c1cnn(C)c1)c1ccc(OC)c(OC)c1 31495486 FSTCUPNGLUCYSI-CYBMUJFWSA-N 347.371 1.472 0 40 EDAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)N=c1[nH]c2ccccc2[nH]1 36594989 LDYPCBRLGKFQEX-CQSZACIVSA-N 349.350 1.714 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 415551 CCYBEJWSNWVNQW-LBPRGKRZSA-N 346.474 1.358 0 40 EDAB Cc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 423455 PSSVLWAIMASJOY-UHFFFAOYSA-N 331.353 1.326 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnnn1C1CCOCC1 69586396 ZKUBHEQRGSRCOI-YPMHNXCESA-N 339.465 1.812 0 40 EDAB CNC(=O)Cn1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cn1 69533442 GSWJWMWKVKPMCX-UHFFFAOYSA-N 329.335 1.431 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccncc2)cc(C)c1C 40512845 KVVFPIZHHMPBHR-UHFFFAOYSA-N 347.440 1.879 0 40 EDAB O=C1NCCCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1 45665774 TVZAGWFOKHSMQS-OAHLLOKOSA-N 334.395 1.326 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(N2CCOCC2)nc1 51184816 UPHZBSAZJMUVLN-LBPRGKRZSA-N 344.371 1.268 0 40 EDAB COc1ccccc1OCC(=O)NCCNC(=O)c1ccccc1 40631231 KEQZFTMAENOICZ-UHFFFAOYSA-N 328.368 1.620 0 40 EDAB COc1ccc(OCC(=O)OCCNC(=O)c2ccncc2)cc1 2679816 XAROFHXTFQNPKF-UHFFFAOYSA-N 330.340 1.442 0 40 EDAB CN(C)c1ccc(NC(=O)C[C@@H](NCc2cccnc2)C(=O)O)cc1 4139403 CXBVJKOCUFEOKU-MRXNPFEDSA-N 342.399 1.719 0 40 EDAB CN(C)c1ncccc1CNC(=O)c1ccc(S(C)(=O)=O)cc1 32686523 JDBFNDHDYYICCS-UHFFFAOYSA-N 333.413 1.481 0 40 EDAB COc1ccc(CNC(=O)Cn2nnc3ccccc32)cc1OC 6999285 LGTWWGRAPXMLCO-UHFFFAOYSA-N 326.356 1.765 0 40 EDAB COc1ncccc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1 37045631 ZFKAYRWEDLNSPB-UHFFFAOYSA-N 328.371 1.959 0 40 EDAB Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1C1CC1 2632123 KKZRURRBIJCNAD-UHFFFAOYSA-N 333.373 1.329 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N1CCC(c2ccccc2)=N1 21475231 NWADDAXHXHSRDM-UHFFFAOYSA-N 333.351 1.428 0 40 EDAB O=C(NCCc1cccc(Cl)c1)NC[C@H]1CCS(=O)(=O)C1 32803252 WBHUGDRJCSDVNZ-GFCCVEGCSA-N 330.837 1.616 0 40 EDAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1ccccc1 32814448 YVLYGQAAGWNZEJ-UHFFFAOYSA-N 343.364 1.678 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)NCCCOc1ccc(F)cc1 69019816 XEVSTDGIPZZGNV-CYBMUJFWSA-N 343.424 1.501 0 40 EDAB CCCC1(CCC)NC(=O)N(Cn2nnc3ccccc3c2=O)C1=O 2625833 UTIYRFYKURFGGH-UHFFFAOYSA-N 343.387 1.640 0 40 EDAB CONS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 46572093 MXPLDRFASPQNJR-UHFFFAOYSA-N 346.408 1.725 0 40 EDAB O=S(=O)(c1ccc(F)cc1)N1CCCN(c2ncccn2)CC1 52722077 RGUOTHPOIWQHRW-UHFFFAOYSA-N 336.392 1.517 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@H]1Cc2ccccc2O1 33116929 RXKCGFCLGLSFSA-LLVKDONJSA-N 325.324 1.558 0 40 EDAB Cc1nc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)n[nH]1 103255416 LTVJLDWWUKDIOE-CYBMUJFWSA-N 349.416 1.295 0 40 EDAB C[C@@H](c1ccccc1Cl)N(C)CCS(=O)(=O)CCC(N)=O 53235388 JRQQVTULIQDINJ-NSHDSACASA-N 332.853 1.623 0 40 EDAB C[C@@H](CNCc1ccc(-n2cncn2)c(F)c1)N1C[C@@H](C)O[C@H](C)C1 46836515 APKFZNRRGGZIJA-RRFJBIMHSA-N 347.438 1.994 0 40 EDAB O=C(CCc1nc(-c2ncn[nH]2)no1)N[C@H]1C[C@H]1C1CCCCC1 89761977 AXLNKIPJFKWPJO-RYUDHWBXSA-N 330.392 1.872 0 40 EDAB CCN1CCN([C@@H](C)CNC(=O)c2cc(OC)ccc2OC)CC1 46947538 JGSZQBLQBKUDPB-AWEZNQCLSA-N 335.448 1.460 0 40 EDAB CC(C)C[C@H](CNC(=O)[C@H](C)OCC(F)(F)F)N1CCOCC1 42879433 ASNHFCBTVYEWFX-QWHCGFSZSA-N 340.386 1.817 0 40 EDAB O=C1O[C@@H](C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)Cc2ccccc21 43056075 DILRFHSJDDISIU-HZPDHXFCSA-N 338.363 1.650 0 40 EDAB C[C@@H]1CN([C@H](C)CNC(=O)NCc2cccnc2N(C)C)C[C@@H](C)O1 106091897 CUSXAZAEFJGMLZ-RBSFLKMASA-N 349.479 1.445 0 40 EDAB COc1ccc(OC[C@H](O)Cn2nnc3ccccc3c2=O)cc1 24719597 VWYZBUGDUXALIM-GFCCVEGCSA-N 327.340 1.240 0 40 EDAB COc1ccc(OC)c2c1CN(C(=O)NCCn1ccnc1)C[C@@H]2O 43310788 CDMWFNVNOXAYEG-ZDUSSCGKSA-N 346.387 1.159 0 40 EDAB NC(=O)c1nn(C[C@H](O)c2ccc(Cl)cc2)c(=O)c2ccccc12 24929304 SWTQZBJCPGVERV-AWEZNQCLSA-N 343.770 1.882 0 40 EDAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1nncn1C1CC1 106413214 QYFVYSVEBRALAO-ZDUSSCGKSA-N 343.412 1.732 0 40 EDAB COc1ccccc1[C@@H](C)NC(=O)CN1C(=O)N[C@@H](C(C)C)C1=O 25008292 XUHJXYLZSRFIKO-ABAIWWIYSA-N 333.388 1.449 0 40 EDAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NC[C@H]1CCCO1 27396162 PETPXIGCWHSVQY-NEPJUHHUSA-N 326.418 1.426 0 40 EDAB Cc1cc(C(=O)N[C@H](C)Cc2cccs2)c2c(=O)[nH]n(C)c2n1 25300653 UEOWZSIVNVKWKL-SECBINFHSA-N 330.413 1.993 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2nccnc2c1 55443216 BEXIICPHHMWSAO-OAHLLOKOSA-N 348.428 1.773 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]21 104305253 KRQLVRFWDXTSDZ-KKBVYLPWSA-N 348.468 1.696 0 40 EDAB COc1ccccc1[C@@H](Nc1ccc2nnnn2n1)c1nccn1C 12556649 LRJSJPGWJPOHLR-OAHLLOKOSA-N 336.359 1.463 0 40 EDAB C[C@@H](COc1ccc(F)cc1F)NC(=O)N1CCC(C(N)=O)CC1 56896495 UWFXJVDNJDIMDD-JTQLQIEISA-N 341.358 1.639 0 40 EDAB O=C(NCc1ccnc(OCC(F)(F)F)c1)NC[C@H]1COCCO1 57081359 RYANOEBXUHLWLA-NSHDSACASA-N 349.309 1.237 0 40 EDAB O[C@H]1O[C@@H]2CC[C@H]3[C@H]2[C@H]2[C@@H]4[C@H]3[C@]35[C@@H]6[C@@H]7[C@H](CC[C@H]7[C@H]([C@@H]46)[C@]123)O[C@H]5O 104287146 LJFQEIKHNCSUHM-FYTPURFKSA-N 328.408 1.211 0 40 EDAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCC(=O)CC1 61967322 ZNTOFISFBHSLRX-UHFFFAOYSA-N 329.356 1.558 0 40 EDAB CCc1ccc(CC)c(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 28577343 NYNJTJBKYUDFGO-ZDUSSCGKSA-N 331.459 1.277 0 40 EDAB CCn1cc(NC(=O)N(C)C[C@@H](O)COCc2ccccc2)cn1 58016493 ZOJTWZNPABQECH-MRXNPFEDSA-N 332.404 1.944 0 40 EDAB CC(=O)c1ccccc1NC(=O)CN1CCN(c2ncccn2)CC1 58165418 SPOXPRHPZWGGAT-UHFFFAOYSA-N 339.399 1.440 0 40 EDAB CC(C)(C)CC(=O)NCC(=O)NCc1ccccc1N1CCOCC1 58281848 PJNVHQXUHDBDRX-UHFFFAOYSA-N 347.459 1.692 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@@H]1CN(C)CCO1 58291058 FMTPHZKWGZZNMH-QGZVFWFLSA-N 342.443 1.478 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCC(=O)N2 44968912 GZXXUVOMVUYAGS-MFKMUULPSA-N 336.413 1.183 0 40 EDAB COc1cc(CNC(=O)c2cnccn2)ccc1OC[C@@H]1CCCO1 44939062 QOMDBVJFWYWNNI-AWEZNQCLSA-N 343.383 1.973 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCC2)cn1 44937189 ZIFWTWWXCBIIRH-INIZCTEOSA-N 334.445 1.536 0 40 EDAB O=c1n(CCN(C[C@@H]2CCCO2)C[C@H]2CCCO2)nc2ccccn12 44949174 ADCMROMPXFGKKZ-IYBDPMFKSA-N 346.431 1.156 0 40 EDAB O=C(O)c1ccc2nc(-c3cnc(N4CCOCC4)nc3)[nH]c2c1 44973994 YATPBCBYJXROLK-UHFFFAOYSA-N 325.328 1.555 0 40 EDAB CCn1cnnc1CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 44952508 USWOLVSZMICMMJ-UHFFFAOYSA-N 340.387 1.093 0 40 EDAB CCN(CC)CCC[C@H](C)NC(=O)COc1cccc(C(N)=O)c1 58343947 QIHURHGLFYOCGU-AWEZNQCLSA-N 335.448 1.791 0 40 EDAB CC(=O)N1CCN(C(=O)CCC(=O)NC2CCCCCCC2)CC1 58308779 WHFXGZQZLPACCE-UHFFFAOYSA-N 337.464 1.686 0 40 EDAB O=C(NCCCN1CCCC1=O)c1ccc(Br)cc1O 58332616 UHDWVZBULCHEMW-UHFFFAOYSA-N 341.205 1.897 0 40 EDAB C[C@H](Sc1nnc(C2CC2)o1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 12624301 KRPKANAKVJSNHY-WPRPVWTQSA-N 345.446 1.073 0 40 EDAB COC(=O)C1(NCC(=O)NC(=O)Nc2ccccc2)CCCCC1 69619238 DKBQJENITUZPSM-UHFFFAOYSA-N 333.388 1.800 0 40 EDAB COc1ccccc1COC[C@H](O)Cn1cnc2ccccc2c1=O 12784009 QQQBGXNJHNYBBB-OAHLLOKOSA-N 340.379 1.983 0 40 EDAB COc1cc(CNC(=O)COc2ccc(C(C)=O)cc2OC)ccn1 48276126 DRTVZXDYXLVMFY-UHFFFAOYSA-N 344.367 1.997 0 40 EDAB COCCNC(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 69601951 WIOCETWVKOQKAQ-LBPRGKRZSA-N 327.812 1.873 0 40 EDAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc[nH]c1=O 48324505 SMEVBFXBQHJCAW-ZDUSSCGKSA-N 333.413 1.240 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 69628234 PKNNPESUOGQRJE-OAHLLOKOSA-N 348.428 1.306 0 40 EDAB COc1ccc(Cl)cc1C(=O)OCC(=O)NC[C@H]1CCCO1 3435845 RLYMMTQJRAFHON-LLVKDONJSA-N 327.764 1.801 0 40 EDAB CC(=O)N1CCN(CC(=O)N(Cc2ccco2)c2ccccc2)CC1 69380800 DMBIQORQTCRXQP-UHFFFAOYSA-N 341.411 1.977 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1nnnn1-c1ccccc1)C2=O 17652466 OLNJVFZDAOQHGX-SJKOYZFVSA-N 340.387 1.663 0 40 EDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCCC1 13003111 HHJCNFSOSRCMQM-HNNXBMFYSA-N 349.456 1.762 0 40 EDAB O=C1[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccc(F)cc1 409305107 LVEYPUVVBVOFHI-ZOPJHEKZSA-N 331.299 1.012 0 40 EDAB C[C@H](NC(=O)NCc1ccccc1Cn1cncn1)[C@@H]1CCCO1 48914715 MELCLXPYTLJPAJ-BBRMVZONSA-N 329.404 1.693 0 40 EDAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c(OC)c1 3904269 SWOWERSPGPHXIA-AWEZNQCLSA-N 336.344 1.218 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cnn(-c2ccccc2)n1 69490843 DEOPNTJKZHHEAI-MSOLQXFVSA-N 339.443 1.895 0 40 EDAB Cc1cnn(CC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)c1 69408578 YXKUVMTYPCZMOI-QGZVFWFLSA-N 346.406 1.520 0 40 EDAB CC(=O)N1CCN(CCNC(=O)C[C@@H](C)c2ccccc2F)CC1 69457209 JCATVJSMMVYWRU-CQSZACIVSA-N 335.423 1.600 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@@H]1CCCN(Cc3ccccc3)C1)C2 69459089 GNCTWGOWSOXBBD-QGZVFWFLSA-N 339.443 1.841 0 40 EDAB O=C(c1c[nH]nc1-c1ccncc1)N1CCC(Nc2cccnn2)CC1 69738962 JRRFHNKDBPLWPV-UHFFFAOYSA-N 349.398 1.978 0 40 EDAB CC(C)(C)c1cc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)on1 69775602 UOHRMBLXLUULTK-ZDUSSCGKSA-N 346.435 1.914 0 40 EDAB CC(=O)c1cc2c(cc1NC(=O)CSc1nncn1C)OCO2 6063624 RMIXFIOBVAJAKL-UHFFFAOYSA-N 334.357 1.477 0 40 EDAB CNC(=O)C1CCN(C(=O)NCc2ccnc(N3CCCC3)c2)CC1 65563847 LWQGCTKRMGFACC-UHFFFAOYSA-N 345.447 1.349 0 40 EDAB CN(C)c1ccc(NC(=O)NCCNC(=O)c2ccccc2F)cn1 65595225 GCSQSXGKWQNQAK-UHFFFAOYSA-N 345.378 1.838 0 40 EDAB CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1 65531476 TZGHPHPMUMWNFL-ZDUSSCGKSA-N 346.449 1.756 0 40 EDAB Cc1ccc(N2C(=O)N(CC(=O)NC[C@H]3CCCO3)C(=O)[C@H]2C)cc1 6582482 XLGQCGYCSVMOON-UKRRQHHQSA-N 345.399 1.447 0 40 EDAB COC(=O)N1CCCN(C(=O)Nc2cccc(C(=O)N(C)C)c2)CC1 69849226 MFHSNHSDWKNUAP-UHFFFAOYSA-N 348.403 1.694 0 40 EDAB Cc1ccc(C(=O)NO[C@H]2CCCCO2)cc1NS(C)(=O)=O 60332345 JWWLBPZUDKIHGB-ZDUSSCGKSA-N 328.390 1.555 0 40 EDAB CN(CC1CCN(CCO)CC1)C[C@@H](O)c1ccc(F)cc1F 69974320 ZCFCWMUSZTWHSP-QGZVFWFLSA-N 328.403 1.634 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 16278939 GQBJQFGIWLJSLG-UHFFFAOYSA-N 345.334 1.631 0 40 EDAB CCc1cc(N[C@@H](C)C(=O)N2CCOCC2)nc(-c2ccccn2)n1 68696023 BFUZRAQUNNXCDU-ZDUSSCGKSA-N 341.415 1.760 0 40 EDAB Cc1cccc(NC(=O)[C@@H](C)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 16378956 NQTPKLLOBHDNPN-WBVHZDCISA-N 345.443 1.645 0 40 EDAB C[C@@H](Sc1nnc(C(F)(F)F)n1C)c1nc(N)nc(N(C)C)n1 8980777 GUUREWDKVHFZBK-RXMQYKEDSA-N 348.358 1.520 0 40 EDAB O=C(NCc1ccccc1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059785 XPHKOYDBQWABGJ-CQSZACIVSA-N 336.399 1.886 0 40 EDAB Cc1ccc(NCCn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1 9318024 BQSPUFRPQBXGLZ-UHFFFAOYSA-N 347.806 1.508 0 40 EDAB CC(C)[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O 9450313 NUWSBEPBAXVHOS-LBPRGKRZSA-N 327.743 1.994 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCCCCOC)C1=O 71799771 BPDHESUGNSGJQF-GOSISDBHSA-N 348.399 1.814 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCC[C@@H]1C1CCC1 84019359 WXWFKVHKIKEWAZ-OAHLLOKOSA-N 328.416 1.973 0 40 EDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C(C)C)n(C)n1)CC2 96445378 ZYOCONXKESUMKX-HZPDHXFCSA-N 335.448 1.936 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)Cc3nnc(C4CC4)n3C)C2)no1 71870550 RDQQMGUCBDTZTG-CQSZACIVSA-N 345.451 1.480 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N(C)C)nc1 71847429 JSUWAEKCHXZEGD-HNNXBMFYSA-N 325.368 1.892 0 40 EDAB OCc1nc2ccccc2n1C[C@@H](O)CN1CCc2ccccc2C1 71824987 SQQOHXRXHJTSOA-KRWDZBQOSA-N 337.423 1.948 0 40 EDAB C[C@@H]1CN(C2CCN(C(=O)c3cnn4cccnc34)CC2)CCO1 71821638 XBBJGCXWFCRRCN-CYBMUJFWSA-N 329.404 1.055 0 40 EDAB Nc1nccnc1C(=O)N1CCC(OCCc2ccccc2)CC1 71837386 VRRUOYDOBUJOGB-UHFFFAOYSA-N 326.400 1.923 0 40 EDAB Cc1nc(CN2CCC[C@H](N[C@H](C(N)=O)c3ccccc3)C2)no1 71870581 AXJRYYSHGHEPDF-HOCLYGCPSA-N 329.404 1.159 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc(-n2cccn2)cc1 71829560 JJDCGSBDIOOZRI-UKRRQHHQSA-N 326.400 1.527 0 40 EDAB C[C@H](C(=O)NCc1ccccc1Cn1ccnc1)N1CCOCC1 71851019 JYZAAVZWYOEZLJ-OAHLLOKOSA-N 328.416 1.268 0 40 EDAB CCC(=O)N1CC[C@@H](NCc2c(C)nn(CCO)c2C)[C@H](CC)C1 89948799 HQVTZKSSWATQRA-NVXWUHKLSA-N 336.480 1.619 0 40 EDAB COc1ccccc1NC(=O)NCC/N=C(\O)c1ncccc1O 72277791 HTUAIOLAFNPXAN-UHFFFAOYSA-N 330.344 1.922 0 40 EDAB CN(C)[C@H](C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 72269188 ASFFMJFTMQDKPH-BZSNNMDCSA-N 331.460 1.347 0 40 EDAB O=C(CN1CCC[C@H](c2ccn[nH]2)C1)N1CCO[C@H]2CCCC[C@@H]21 72270721 YAUCXAQHTGNCHI-XIRDDKMYSA-N 332.448 1.759 0 40 EDAB NC1(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)Cc2ccccc2C1 97019912 WLPGGZYHYGALCD-OAHLLOKOSA-N 340.402 1.412 0 40 EDAB CCCOc1ccc(O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 97053665 AKCRZBJOPJCTPF-AWEZNQCLSA-N 334.416 1.933 0 40 EDAB CCc1nnc([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)o1 97033222 JSWAHSQJIHGSPK-QWRGUYRKSA-N 338.433 1.952 0 40 EDAB CCN1N=C(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)CCC1=O 75607102 WMSDQWRJGCQSCL-CYBMUJFWSA-N 332.408 1.057 0 40 EDAB Cc1ccn(-c2ccc(N3CCC[C@H](NC(=O)C(C)C)C3)nn2)n1 84248002 KNQGZWGFMHXPCY-AWEZNQCLSA-N 328.420 1.712 0 40 EDAB O=C(c1cnc2n1C[C@@H](Nc1ncccn1)CC2)N1CCCCC1 306138802 SHSYJYVPUIXRBW-ZDUSSCGKSA-N 326.404 1.726 0 40 EDAB CN(C)CCn1ccc(NC(=O)N2CCN(C3CCCC3)CC2)n1 76081980 PKHYOUNAWYAWQX-UHFFFAOYSA-N 334.468 1.537 0 40 EDAB OCCn1ncc2c(N3CCO[C@H](c4ccc(F)cc4)C3)ncnc21 97200317 GQCMZEQYFMWNBG-HNNXBMFYSA-N 343.362 1.536 0 40 EDAB Cc1nc(CN(C)[C@@H]2CCN([C@H](C(N)=O)c3ccc(F)cc3)C2)no1 76047334 LBEYWJXVLWXYQN-ZBFHGGJFSA-N 347.394 1.250 0 40 EDAB CCO[C@@H](C)c1noc(CN2CCN(c3nnc(C)s3)CC2)n1 78508645 OZWVUNYESKORIB-JTQLQIEISA-N 338.437 1.649 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccn(C)c(=O)c1 95951610 HRNNLXHYXKUNNF-CYBMUJFWSA-N 334.441 1.982 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)c2cccn2C2CC2)c1 95995049 ZVPFWHGBBXXTQF-UHFFFAOYSA-N 347.440 1.802 0 40 EDAB CCc1nc(NC(=O)c2ccc(=O)n(CC)n2)sc1C(=O)OC 89282657 FYAKDAVRYWAGOH-UHFFFAOYSA-N 336.373 1.321 0 40 EDAB CNC(=O)C1CCN(C(=O)NC[C@H](c2cccs2)N(C)C)CC1 89385991 CVGVQWJRWNREDH-CYBMUJFWSA-N 338.477 1.518 0 40 EDAB COCCCN(C)c1ccc(S(N)(=O)=O)cc1C(F)(F)F 89346051 JCUVBAHPTBSYLE-UHFFFAOYSA-N 326.340 1.826 0 40 EDAB O=C(Cc1cn2ccsc2n1)N1CCN(c2ccccc2O)CC1 9914948 RGGHPNDRQZISST-UHFFFAOYSA-N 342.424 1.993 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 9917667 ROYAWQOLYQPNTD-HNNXBMFYSA-N 345.443 1.109 0 40 EDAB Cc1nc(C(=O)N(C)[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cs1 75094493 JAICDFOGOLBOPV-AWEZNQCLSA-N 343.408 1.851 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@@H]2CCc3[nH]cnc3C2)nn1-c1ccccc1 89568463 XMNQPYRRRHIYPJ-CYBMUJFWSA-N 349.394 1.551 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(C3CC3)no2)cc1 75142079 ZBNBHNXRBZIMPH-UHFFFAOYSA-N 337.357 1.925 0 40 EDAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1 408700882 NMXYEFVYVXTRDQ-ZDUSSCGKSA-N 340.445 1.705 0 40 EDAB Cc1nnc([C@@H]2COCCN2C(=O)[C@@H](C)n2cnc3ccccc32)o1 514632793 YFHDJNNTMUMOAM-ABAIWWIYSA-N 341.371 1.889 0 40 EDAB Cc1nc(C)c(CCNC(=O)NCCN2C(=O)CSC2=O)s1 78714679 JIJBLWVDHNOHNS-UHFFFAOYSA-N 342.446 1.297 0 40 EDAB CCn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)cn1 72241666 IDAJQYTWLICSHX-CVEARBPZSA-N 346.362 1.579 0 40 EDAB CN(Cc1ccco1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 72241657 LKUAQDWARACAMO-DLBZAZTESA-N 346.358 1.976 0 40 EDAB CCC(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980556 PPNOFKDRBKFNCR-HNNXBMFYSA-N 332.400 1.701 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(OC)cc1 41157899 ZIICGOPKQSVQEW-AWEZNQCLSA-N 336.388 1.129 0 40 EDAB CN1CCCC[C@]1(C)C(=O)N1CC(c2nn(C)c3nccnc23)C1 72367336 CPASHOLSDFEXLJ-QGZVFWFLSA-N 328.420 1.164 0 40 EDAB O=S(=O)(N[C@@H](c1cccnc1)C1CCOCC1)c1cccnc1 225623858 PZJRQQKUZNAYTI-MRXNPFEDSA-N 333.413 1.923 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)/C=C/c2nc3ccccc3o2)cn1 80892575 NVAQAZWFMKNHOV-OZSKJFCKSA-N 326.356 1.598 0 40 EDAB CN(C)C(=O)N1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 225476433 VQJKWEAQPKOZIG-UHFFFAOYSA-N 345.422 1.870 0 40 EDAB Brc1ccc(Cn2cnc([C@H]3COCCN3)n2)s1 569686572 RCKFTQCUBKBRJK-SECBINFHSA-N 329.223 1.811 0 40 EDAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCCOC 222979756 RXQKHAQIJIKNNG-CQSZACIVSA-N 336.432 1.975 0 40 EDAB Cc1nccn1Cc1cccc(CNS(=O)(=O)[C@@H]2CCO[C@H]2C)c1 135513417 DGBFIAJSDFCYMI-SUMWQHHRSA-N 349.456 1.837 0 40 EDAB O=C(Cn1ncccc1=O)NCc1cccnc1-c1ccsc1 225647100 BDKZASSZEQXGEA-UHFFFAOYSA-N 326.381 1.683 0 40 EDAB CCCS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(C)c(F)c(C)c2)C1 195547266 FRBFLSPLZBAAMT-CQSZACIVSA-N 342.436 1.986 0 40 EDAB N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccoc2)CC1 95426427 SCSWCVXZHJXDAR-INIZCTEOSA-N 327.384 1.134 0 40 EDAB Cc1nnnn1-c1ccccc1C(=O)Nc1ccc2c(c1)COC2=O 95477556 MGNIEBQLYQROFC-UHFFFAOYSA-N 335.323 1.893 0 40 EDAB CC[C@H](C)N(C)CCNS(=O)(=O)c1ccccc1S(C)(=O)=O 96404110 BRMBYSNAOPGEEY-LBPRGKRZSA-N 348.490 1.099 0 40 EDAB CCCNC(=O)CN1CCC(NC(=O)N2C[C@H]3CC=CC[C@H]3C2)CC1 96439069 LUAQKSHWHHCCOA-IYBDPMFKSA-N 348.491 1.585 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@]2(CCCN(Cc3ccccn3)C2)C1 96158078 AYUXYIZIUMEQKO-KRWDZBQOSA-N 335.473 1.862 0 40 EDAB O=C(c1cscn1)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96202259 VSVIMNCIAPIWSE-QGZVFWFLSA-N 344.440 1.907 0 40 EDAB Cn1cc(CN2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 96224440 ROBXFCUIRVQIGA-IBGZPJMESA-N 339.443 1.830 0 40 EDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)C1CC1)C2 96238003 VFWZZZAMFORLQI-GOSISDBHSA-N 331.391 1.485 0 40 EDAB O=C1CCCN1Cc1ncn2c1CN(C(=O)c1ccc[nH]1)CCC2 96084648 PTSLEPPKWMMENI-UHFFFAOYSA-N 327.388 1.380 0 40 EDAB COc1ccccc1[C@@H](CNS(=O)(=O)c1cnn(C)c1)OC 96385080 XFINFNPGUHDDKU-CQSZACIVSA-N 325.390 1.095 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 347483177 UYRUHFOICIZEAQ-UHFFFAOYSA-N 326.418 1.278 0 40 EDAB CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCC[C@@H]2CCOC2=O)nn1 583621521 WZIRMHRWAQZHKP-HZSPNIEDSA-N 336.436 1.532 0 40 EDAB Cc1cc(C(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)nn1C(C)(C)C 583618921 HKONCFGSTJCGFV-MRXNPFEDSA-N 332.408 1.188 0 40 EDAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)CN)CC2)n1 257240777 HVEDNSFZYWIXNM-UHFFFAOYSA-N 329.404 1.722 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H]1c1cnc(Br)cn1 257330131 XMZJNLWFLKOGTC-VIFPVBQESA-N 335.227 1.182 0 40 EDAB Cc1cc(C(F)(F)F)nc(C2CCN([C@H]3COC[C@H]3O)CC2)n1 257268050 MJZYBDUQJMFZTP-NWDGAFQWSA-N 331.338 1.743 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@]2(N)C(=O)O)cc1 252516990 YPVCWLHYZRDBNT-BFYDXBDKSA-N 349.383 1.856 0 40 EDAB CCN(CC)c1ccc(C(=O)N[C@@H]2CCC[C@@H](OC)[C@@H]2O)c(O)c1 257205421 AYYJMKBYOXOAJL-DJIMGWMZSA-N 336.432 1.897 0 40 EDAB COC(C)(C)C(=O)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 257217868 DAYDDYDQXGPDNJ-HOTGVXAUSA-N 346.427 1.092 0 40 EDAB Cc1nc(O)cc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257219331 DGKROPXYGINIFK-LLVKDONJSA-N 341.414 1.314 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)Cn2ccnc2C)C1 257301801 RZYHHHSRFVDYTL-AWEZNQCLSA-N 328.420 1.505 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCCC[C@@]3(C)[C@@H]2CCC(=O)N3C)n1 257284870 PERHTLWIXPFULW-YJBOKZPZSA-N 332.448 1.892 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@@H](Cc2nccnc2NC)C1 257210908 BWQCRSMUXGAFFR-ZDUSSCGKSA-N 341.481 1.359 0 40 EDAB Cc1nc2cncc(N3CCN(c4cccc5nonc45)CC3)n2n1 585139199 RAOYLHSZHOTNJZ-UHFFFAOYSA-N 336.359 1.296 0 40 EDAB COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)c1ccc(F)c(C)c1 272682222 MFRQFCKCROMBFR-OCCSQVGLSA-N 337.347 1.701 0 40 EDAB CC(C)(NC(=O)c1ccc(S(C)(=O)=O)s1)[C@@H](O)C(F)(F)F 1615547420 IFDPYULPXMAYIS-SECBINFHSA-N 345.364 1.583 0 40 EDAB COc1ccc(C(=O)NC2CCC3(CC2)C[C@H]3N)c2c1CNCC2 1615546245 NJDVYWPXRXKRBI-NNKNWRJCSA-N 329.444 1.731 0 40 EDAB CC(C)C[C@](C)(CC(=O)O)C(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 634919957 YUKNGHZERVNVRI-XKQJLSEDSA-N 327.421 1.920 0 40 EDAB C[C@H](NC(=O)c1ccc(C(=O)O)cn1)C1(N2CCOCC2)CCCC1 649453708 BMBIQNQBGCTAHS-ZDUSSCGKSA-N 347.415 1.543 0 40 EDAB Cn1cccc1C(=O)NCC[C@H]1CCOC12CN(C(=O)C1CCC1)C2 575403830 OWDGSFVPOZGLIP-HNNXBMFYSA-N 345.443 1.563 0 40 EDAB CC1CC(C(=O)N2CC[C@]3(C2)C(=O)NC[C@@H]3COc2cccnc2)C1 585104133 GGCWUHBWNYFCHK-MCPBJLBBSA-N 343.427 1.471 0 40 EDAB Cc1noc(C)c1C(=O)N1C[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 585107715 ZZXWBCWWZWLLKE-HOTGVXAUSA-N 342.399 1.412 0 40 EDAB O=C1CCCN1CCCN[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585289247 OURUQUBECCRTHV-YQVWRLOYSA-N 332.444 1.950 0 40 EDAB CN1CC[C@]2(CN(C(=O)c3cc(C4CC4)on3)CC(F)(F)C2)C1=O 585093111 CNDBKTBNJCYUCF-HNNXBMFYSA-N 339.342 1.882 0 40 EDAB CCN1CCC(N2CCOC[C@](O)(COc3ccccc3C)C2)CC1 585279338 YDZJOHXWFNDSNU-FQEVSTJZSA-N 348.487 1.921 0 40 EDAB COCCOc1cccc(Cn2c(=O)[nH]c3ccccc3c2=O)c1 53086789 MVYPMFWVXAATMT-UHFFFAOYSA-N 326.352 1.763 0 40 EDAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 66932396 RVLRIGOXNXPGKT-NOZJJQNGSA-N 333.392 1.452 0 40 EDAB C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccco1)C2 72346969 KOWKHQBPZHDEJX-LBPRGKRZSA-N 342.399 1.940 0 40 EDAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NC[C@H]1CCCO1)CS2 85473841 SXVXBWBBJDFGSJ-NWDGAFQWSA-N 337.445 1.131 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCN(C[C@@H](O)C2CC2)CC1 85436634 PLWNAROJJBIIPL-OAHLLOKOSA-N 338.835 1.877 0 40 EDAB NS(=O)(=O)[C@H]1CCCN(C(=O)c2oc3ccccc3c2Cl)C1 1615046838 CEAFPZXFGHQEJE-VIFPVBQESA-N 342.804 1.979 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)n[nH]2)cc1 5588449 FXWHESSNXFKVAP-CQSZACIVSA-N 348.428 1.818 0 40 EDAB C[C@@H]1Oc2ccc(S(=O)(=O)N[C@@H](C)c3ccncc3)cc2NC1=O 19462247 OFUZMSPHWLQYJZ-QWRGUYRKSA-N 347.396 1.841 0 40 EDAB COCc1nnc(NC(=O)CCCn2c(C)cc(C)nc2=O)s1 19572623 GDKQOTQDTQWKHM-UHFFFAOYSA-N 337.405 1.277 0 40 EDAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)[C@@H]1CCOC1 206844692 YDBBYXOJWAHYFW-OCCSQVGLSA-N 329.356 1.698 0 40 EDAB Cc1cccc(N2C[C@@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)c1C 22017519 MRVOONZPAIISRB-HNNXBMFYSA-N 343.427 1.380 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCC(CN2CCOCC2)CC1 36190700 GIKIVPRQJJPSPA-UHFFFAOYSA-N 332.448 1.332 0 40 EDAB Cc1cc(C(=O)NC[C@H]2CCCN([C@H](C)c3nnnn3C)C2)ns1 1023341048 SZHTXEZUSNSEFQ-VXGBXAGGSA-N 349.464 1.178 0 40 EDAB CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)N1CCNC1=O 10133305 FZPJJLKTHQGROJ-UHFFFAOYSA-N 344.415 1.129 0 40 EDAB CN(C(=O)[C@H]1COc2ccccc2O1)C1CN(c2ccccn2)C1 1888860032 RIFVNRVRRBYNPC-MRXNPFEDSA-N 325.368 1.569 0 40 EDAB CSc1nc(C)c(C)c(N2CCN(CCn3nccn3)CC2)n1 1888863797 SFWULOWFCWHUJZ-UHFFFAOYSA-N 333.465 1.229 0 40 EDAB Cc1cc(CN2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)on1 1888897023 JGKBMPHDSQEQBE-KBPBESRZSA-N 339.403 1.297 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2=O)cc1 34868489 POAYTQGFHQRDEH-MGPQQGTHSA-N 332.400 1.684 0 40 EDAB COc1cnc(O[C@H]2CCN(CC(=O)N3CCC(C)CC3)C2)nc1 2086950012 VNLMHGHMXPJHGF-AWEZNQCLSA-N 334.420 1.197 0 40 EDAB O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](C1)OCCN2Cc1cccnc1 1565543213 SJJLCMROBJWAMM-ZWKOTPCHSA-N 341.386 1.946 0 40 EDAB CC(=O)NCCn1ncc2c(=O)n(Cc3ccccc3C)cnc21 12072064 SXSSPMZNBGXUNY-UHFFFAOYSA-N 325.372 1.086 0 40 EDAB Cc1ccoc1C(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772280 QHGOYJMRYDFUCF-UHFFFAOYSA-N 342.399 1.648 0 40 EDAB CCCc1cc(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)c(C)n1 1775967004 BEARMLSUEAPVGT-UHFFFAOYSA-N 343.383 1.549 0 40 EDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3ccno3)C2)n(C(C)C)n1 2332241700 WJHBPDJEUILSEI-YNEHKIRRSA-N 333.392 1.582 0 40 EDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 102445384 ITASIBIOHKWOKH-GVARAGBVSA-N 330.384 1.151 0 40 EDAB biogenic CCC(CC)[C@H](CNC(=O)c1cccnc1OC)N1CCOCC1 40059497 YKFRMYLOUCWJSZ-INIZCTEOSA-N 335.448 1.957 0 40 EDAB CN1N=C(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)CCC1=O 40477604 YTBROUVOMYHTGE-UHFFFAOYSA-N 337.383 1.908 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)Cc1csc(N2CCCC2=O)n1 31395854 ARMNZYWWTWLOFE-NSHDSACASA-N 333.417 1.214 0 40 EDAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 100702270 VQHPTSKYIFGLEM-PVAVHDDUSA-N 345.395 1.804 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(C)n[nH]3)C2=O)cc1 59332568 IXLQXLSOYGVEGN-QGZVFWFLSA-N 341.371 1.432 0 40 EDAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)N(C)C)cc1 7985154 ITGISUIOUKLUIA-LBPRGKRZSA-N 338.429 1.687 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCCC1 7985183 UGPUWVJTZPHTQS-INIZCTEOSA-N 332.400 1.607 0 40 EDAB Cc1cc(NC(=O)CCCn2cnc3ccccc3c2=O)n(C)n1 40512261 OOXGKSQIUUCDSL-UHFFFAOYSA-N 325.372 1.857 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1 40511359 IBJGOBDFAOSVEV-BFHYXJOUSA-N 342.461 1.471 0 40 EDAB CNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CCCO3)sc2c1 2694814 FCZICSUWSUBMCC-JTQLQIEISA-N 341.414 1.322 0 40 EDAB CN1CCN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 51468187 IUQOLELQOBJYEA-UHFFFAOYSA-N 336.457 1.791 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)C[C@@H](C)O1 4308964 FKWFUYZRQFVCJI-KOFHJDLBSA-N 337.420 1.123 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN2CCC[C@@H](C)C2)cc1C(N)=O 46035215 PQKCNDZXGKNWBD-GFCCVEGCSA-N 339.461 1.104 0 40 EDAB O=C(NCc1ccccc1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 29506278 WFHGABNIJUUDMX-UHFFFAOYSA-N 336.351 1.350 0 40 EDAB O=C(COC(=O)c1ccc(O)cc1)NC[C@@H]1COc2ccccc2O1 7164967 SJEYNSYSESRBOS-CQSZACIVSA-N 343.335 1.505 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C 32736768 GWOMWVDAZVQUMA-UKRRQHHQSA-N 333.432 1.390 0 40 EDAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)[C@H]3CCCN3C2=O)cc1 32854310 YJBOXQLVEOAKNB-UKRRQHHQSA-N 332.356 1.056 0 40 EDAB O=C(Cn1ccccc1=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 46335260 PSJVCKVLCBQIBS-CQSZACIVSA-N 341.415 1.530 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)c2nccnc2N)CC1 32860449 FRDCAEGKLUSJEN-UHFFFAOYSA-N 327.388 1.420 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)NCCCN2CCc3ccccc3C2)C1 32817039 IDZRRLLSDIFVDB-LJQANCHMSA-N 343.471 1.810 0 40 EDAB Cc1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C 8180867 KVABCCFKGZUWIX-UHFFFAOYSA-N 334.397 1.968 0 40 EDAB CCC(CO)(CO)NC[C@H](O)COc1c(Cl)cccc1Cl 2622355 WCSDQAZPVJYBHR-JTQLQIEISA-N 338.231 1.456 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1 2623703 BLENEFCMRTZBQU-UHFFFAOYSA-N 336.369 1.305 0 40 EDAB O=C1C[C@H](C(=O)Nc2ccccc2)n2nc(C(F)(F)F)nc2N1 8559284 UNKGLTOLOWEKKY-MRVPVSSYSA-N 325.250 1.819 0 40 EDAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCO[C@H](C(N)=O)C1 69570463 GHEGZGVPILZKKK-SKDRFNHKSA-N 346.305 1.185 0 40 EDAB CN1CC[C@H](C(=O)NCc2ccnc(OC3CCCC3)c2)CC1=O 41398145 UAWFPTNYUKIKFP-AWEZNQCLSA-N 331.416 1.888 0 40 EDAB O=C(NC[C@H]1CCOC1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 41367031 MYFPPJUAUCRERM-CJNGLKHVSA-N 328.412 1.681 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@H]1CC(c2ccccc2)=NO1 33165643 OSYWVAHELLMVNV-OAHLLOKOSA-N 334.339 1.794 0 40 EDAB Cc1cccc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)n1 69569361 KOJUSQDQVGRUPO-UHFFFAOYSA-N 342.403 1.636 0 40 EDAB Cc1c(CNC(=O)CN2C(=O)C(C)(C)c3ccccc32)cnn1C 57355602 WQZZRTMNCVAYKR-UHFFFAOYSA-N 326.400 1.669 0 40 EDAB Cn1cc(N2CCN(C(=O)N[C@H]3CCc4ccccc43)CC2=O)cn1 89755871 UEEWKDWQLIOPJT-INIZCTEOSA-N 339.399 1.466 0 40 EDAB O=C(NCCN1CCc2ccccc2C1)NCc1nnc2n1CCC2 89861162 FENKVAWYQRHHHW-UHFFFAOYSA-N 340.431 1.082 0 40 EDAB CCN(CC)C(=O)CN(C)C(=O)c1ccc(OC)c(OC)c1OC 23799065 XOLWXERKYAOBQY-UHFFFAOYSA-N 338.404 1.653 0 40 EDAB Cc1ccccc1Cc1c(C)nc(N2CCN(CCO)CC2)[nH]c1=O 22248044 QLLAKBYXFGWTQR-UHFFFAOYSA-N 342.443 1.092 0 40 EDAB C[C@H]1CN(CCNC(=O)NC[C@@H]2COc3ccccc3C2)C[C@@H](C)O1 106087584 QPRMJCPQOWLZQA-OWCLPIDISA-N 347.459 1.646 0 40 EDAB Fc1ccc(CN2CCOC[C@@]3(C[C@@H](Cn4cnnc4)CO3)C2)cc1 107243830 IRVKFJCUNIBEPQ-FUHWJXTLSA-N 346.406 1.725 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCC[C@@H](C(=O)Nc2nccs2)C1 106641378 RJXPLZHJJPDQOP-CHWSQXEVSA-N 336.461 1.805 0 40 EDAB CC(=O)NCCNC(=O)COC(=O)[C@H]1CCCC[C@H]1C(F)(F)F 61743443 HJDKFHPAVQCSNZ-WDEREUQCSA-N 338.326 1.151 0 40 EDAB O=C(c1cnsn1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 47623413 JHCOYQMPNOJYFM-UHFFFAOYSA-N 330.413 1.431 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2ccc(-n3ccnc3)nc2)n1 25249236 IHIQGWPYYVLSGA-UHFFFAOYSA-N 328.357 1.004 0 40 EDAB Cn1cc(C(=O)NC2CC3(CCN(Cc4ccncc4)C3)C2)cn1 108525708 SOLWUGUJPSZWFX-UHFFFAOYSA-N 325.416 1.600 0 40 EDAB Cn1cccc1CN1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1 57731352 WZUFRKPBWUZXKY-UHFFFAOYSA-N 327.432 1.657 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(=O)O)s2)c1 35347932 RIYPAVPHPBBWBZ-UHFFFAOYSA-N 326.355 1.346 0 40 EDAB in-vitro O=c1n(CN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 57362634 GKXQCHRTNGVPMF-UHFFFAOYSA-N 343.818 1.929 0 40 EDAB O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1 108388736 IJSAWKCTFBGZQL-ZIAGYGMSSA-N 327.377 1.584 0 40 EDAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCN(C2CC2)C1 57553540 PBNRPWSXWNPDFT-ZDUSSCGKSA-N 340.427 1.599 0 40 EDAB COc1ccccc1[C@H](CNC(=O)c1ccc[nH]c1=O)N1CCCC1 27572249 DCTYEYGOFHQVQN-INIZCTEOSA-N 341.411 1.950 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1 58210126 ZSEAQLPLYGISSM-QGZVFWFLSA-N 327.340 1.994 0 40 EDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1CCN(C)CC1 58210361 FYFAPWNJNCSYFP-UHFFFAOYSA-N 337.445 1.058 0 40 EDAB C[C@H]1CN(c2ccc(C(=O)O[C@@H]3C[C@@H](C)OC3=O)cn2)C[C@@H](C)O1 47861262 RDTMRLNFIPYIJO-NRWUCQMLSA-N 334.372 1.556 0 40 EDAB COCc1cccc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1 44942554 AIWATVNNCMEUMP-OAHLLOKOSA-N 340.445 1.263 0 40 EDAB COc1cc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)cc(OC)c1 44908763 VMVJCYBCXHBKKF-UHFFFAOYSA-N 342.351 1.965 0 40 EDAB CCCn1c(=O)n(CC(=O)N[C@H](C)[C@@H]2CCCO2)c2ccccc21 27882839 PUODMDVIOANLEN-CJNGLKHVSA-N 331.416 1.897 0 40 EDAB c1ccc2nc(NC[C@@H]3CCN(CCN4CCOCC4)C3)cnc2c1 58369999 IVKQTYXQXWXQLG-INIZCTEOSA-N 341.459 1.696 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c2c(=O)[nH]n(C)c2n1 58380201 VKLDULLMPNFIEJ-OLZOCXBDSA-N 330.388 1.354 0 40 EDAB COc1ccccc1N1CCN(C(=O)c2cc(=O)c(OC)co2)CC1 16850742 QGEVRKJMAXGKDE-UHFFFAOYSA-N 344.367 1.619 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2[C@H](C(N)=O)c2ccc(F)cc2)n1 69624969 OFMXSPDLHLSGEW-CVEARBPZSA-N 331.395 1.725 0 40 EDAB O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC[C@H](n2ccnc2)C1 69656482 AZYZYVULCHGRGO-ZBFHGGJFSA-N 330.432 1.838 0 40 EDAB CCCCn1c(S[C@@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 3521686 XRWKUVDXCZLGNH-JTQLQIEISA-N 348.428 1.872 0 40 EDAB O=C(CN1CCC(N2CCNC2=O)CC1)NCCC1=CCCCC1 69348510 DJTMSXULVKMULU-UHFFFAOYSA-N 334.464 1.483 0 40 EDAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sn1 38680691 IBVIZZYOXVWVEM-UHFFFAOYSA-N 325.415 1.954 0 40 EDAB C[C@@H](C(=O)NCc1ccco1)N1CCN(Cc2nccn2C)[C@H](C)C1 69626582 ZYBKSJZUTFTQPA-CABCVRRESA-N 345.447 1.224 0 40 EDAB COc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1 17068390 ZHADBNFIEUIOSJ-UHFFFAOYSA-N 327.388 1.517 0 40 EDAB C[C@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1ccccn1 69487383 WWXJNRWGCILFEF-QWHCGFSZSA-N 340.449 1.256 0 40 EDAB CC(=O)Nc1nc(CN(C)CC(=O)Nc2cccc(C)n2)cs1 69457493 PEQQGOKUSIWCLO-UHFFFAOYSA-N 333.417 1.875 0 40 EDAB COc1ccc(CCC(=O)N[C@H](C)[C@H](C)n2cncn2)cc1OC 69668994 HGFQVYUUIPWXGU-OLZOCXBDSA-N 332.404 1.994 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cccn1)NCCOc1ccc(F)cc1 69744586 BMKCQBZNLWLCNQ-INIZCTEOSA-N 346.406 1.682 0 40 EDAB CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H](C)OCc1cccc(OC)c1 69738616 IYRJQRXMUIXPIP-OLZOCXBDSA-N 343.445 1.540 0 40 EDAB Cn1nc(CC(=O)NCc2ccccc2F)c2ccccc2c1=O 5243906 GAZKIICWXKZFJB-UHFFFAOYSA-N 325.343 1.932 0 40 EDAB CCOc1cccc(CNC(=O)Cc2c(C)[nH]c3ccnn3c2=O)c1 65553677 JXLMQLZHFUWECI-UHFFFAOYSA-N 340.383 1.589 0 40 EDAB COc1cc(CC(=O)N2CSC[C@H]2C(=O)NCC2CC2)ccc1C 65519309 JGURZYITJUFXJS-HNNXBMFYSA-N 348.468 1.974 0 40 EDAB CC(=O)N1CCN(C(=O)CNc2cccc(OC(F)F)c2C)CC1 65626345 RTXVOCXTERRARP-UHFFFAOYSA-N 341.358 1.699 0 40 EDAB CN(C)C1(CNC(=O)c2nn(C)c(=O)c3ccccc23)CCCCC1 5457295 UERFRZVVFQQRLW-UHFFFAOYSA-N 342.443 1.928 0 40 EDAB CCn1cnnc1C1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 69929868 QBZGVGMLHUWBRH-UHFFFAOYSA-N 328.420 1.779 0 40 EDAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCC(C)C 28207370 JUCJIPOLBDWLTJ-UHFFFAOYSA-N 328.434 1.396 0 40 EDAB C[C@@H](Nc1cccc2c1CCCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1 8747476 KOKDQIUIQSSHGI-TZMCWYRMSA-N 336.457 1.669 0 40 EDAB COc1cc(Cl)ccc1C(=O)Nc1cnn(CC(=O)N(C)C)c1 66383181 YXYKVILZOLVATE-UHFFFAOYSA-N 336.779 1.886 0 40 EDAB CC[C@@]1(C)Oc2ccc(NC(=O)c3cc(=O)n(C)c(=O)n3C)cc2O1 15109008 YSFKYTFDJZHPQT-KRWDZBQOSA-N 345.355 1.234 0 40 EDAB CCOc1cccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 67582987 WMIQWZQLKNAZGP-ZDUSSCGKSA-N 341.433 1.631 0 40 EDAB Cn1c(=O)ccn(CC(=O)OCCC2=CC[C@H]3C[C@@H]2C3(C)C)c1=O 67633961 LTQUWTCSOCFLGL-KBPBESRZSA-N 332.400 1.473 0 40 EDAB CC[C@@H](C)N1C(=O)NC(=O)[C@@]2(Cc3cc(C)ccc3N(C)C2)C1=O 9090159 IBGOIZARVOXICO-XIKOKIGWSA-N 329.400 1.851 0 40 EDAB COC(=O)C1=CNC=C(C(=O)OC)C1c1cc(OC)ccc1OC 19809232 IOYLQTANSWXSNP-UHFFFAOYSA-N 333.340 1.504 0 40 EDAB C[C@@H](O)CN1CCN(Cc2ccn(-c3cccc(F)c3)n2)C[C@H]1C 71864613 JSKALXWWXDUSMD-HUUCEWRRSA-N 332.423 1.898 0 40 EDAB CCc1nc(CN2CCC[C@H](N(C)Cc3cnc(C)cn3)C2)no1 71882283 GCPHHOGMBFQIGZ-HNNXBMFYSA-N 330.436 1.827 0 40 EDAB Cc1csc(N2CCN(CC(=O)Nc3c(C)n[nH]c3C)C[C@@H]2C)n1 71877502 DZBKOJCBEPGZMI-NSHDSACASA-N 348.476 1.941 0 40 EDAB O=C(Nc1ccncc1)N1CCN(C[C@H](O)c2ccccc2)CC1 71893622 WQYHXPYWVRWADD-KRWDZBQOSA-N 326.400 1.965 0 40 EDAB CCN(Cc1ccccc1)C(=O)CN1CCO[C@H](Cn2cncn2)C1 71876522 WHUIJTWLGBXULB-KRWDZBQOSA-N 343.431 1.028 0 40 EDAB CN(CCc1ccccc1F)C(=O)CCn1nc2ccccn2c1=O 71894164 YHPFCIDSVFVBAK-UHFFFAOYSA-N 342.374 1.726 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)C1 89954642 QKPOJFUJSREPKN-CABCVRRESA-N 338.477 1.661 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)CC1 75602664 VDLWKQICQAFXFD-MRXNPFEDSA-N 333.436 1.317 0 40 EDAB CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)cn2)cc1 9737420 IWSMMXCKABVYHH-UHFFFAOYSA-N 335.385 1.824 0 40 EDAB C[C@H]1CN(C(=O)c2c[nH]c3ccccc3c2=O)C[C@@H]1N1CCOCC1 76056746 UTFFENDYRCNLCV-GUYCJALGSA-N 341.411 1.321 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)c3cccc4c3OCC(=O)N4)C2)no1 72273725 QSYHIIRRUSNOAR-LLVKDONJSA-N 342.355 1.729 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccn1 72292823 RLZHINZFUBOUNZ-UHFFFAOYSA-N 346.412 1.904 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)c3cc(C(N)=O)cs3)C2)no1 72232332 DAKRYLAXVFLZHN-VIFPVBQESA-N 334.401 1.812 0 40 EDAB CC(C)(C(=O)N1CCN([C@@H]2CCCCNC2=O)CC1)c1ccccc1 72297835 AJZMPURZCPRSIS-QGZVFWFLSA-N 343.471 1.777 0 40 EDAB CCc1c(C(=O)N2CCN(c3nccn3C)CC2)[nH]c(C)c1C(C)=O 72292887 HECOSQGCSFYIRQ-UHFFFAOYSA-N 343.431 1.784 0 40 EDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269317 XRIXBJURQSLWEH-LSDHHAIUSA-N 330.388 1.341 0 40 EDAB O=S1(=O)CC[C@@H](NCc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 97083857 MNHKIFHBLVBFQE-SECBINFHSA-N 344.799 1.337 0 40 EDAB Cc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](C)c1ncc(C)s1)CC2 97110561 IWRANHMDPFTQTH-BXKDBHETSA-N 334.449 1.769 0 40 EDAB O=S(=O)(c1ccc2[nH]ncc2c1)N1CCN(c2ccncc2)CC1 72307524 YUXOTFBBFHSPBU-UHFFFAOYSA-N 343.412 1.469 0 40 EDAB CN(C)c1nc(N)nc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)n1 72867110 VYJWRGCVTRIXMT-CABCVRRESA-N 342.447 1.608 0 40 EDAB O=C(COc1ccc2c(c1)CCC2)NCCc1nnc2n1CCC2 95350129 BJRLJUWCPYFIIE-UHFFFAOYSA-N 326.400 1.451 0 40 EDAB O=S(=O)(NCCn1ccnc1)c1cnn(Cc2ccccc2)c1 95389971 LBOMJFQMVPIJJH-UHFFFAOYSA-N 331.401 1.106 0 40 EDAB CO[C@H](C)c1noc(CN2CCCN(c3cc(C)nc(C)n3)CC2)n1 79021883 SALHGICXSKPOJF-CYBMUJFWSA-N 346.435 1.896 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1N1CCOCC1 84736104 RHKNGYQDPGABIA-GDBMZVCRSA-N 328.416 1.517 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C)C(N)=O 95401200 SIVAFCXFUJVRRC-LLVKDONJSA-N 342.321 1.832 0 40 EDAB C[C@@H](NCC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 95984259 MNEPQPNKIXEQNZ-GHMZBOCLSA-N 346.399 1.166 0 40 EDAB COCC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 95999112 ABZNPNSPBXEMMN-AWEZNQCLSA-N 338.429 1.016 0 40 EDAB COCCN1CCC(CNC(=O)c2ccc(-n3cncn3)cc2)CC1 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NCC1(NS(=O)(=O)c2cnc3ccsc3c2)CCOCC1 528055390 GMMUMAUQAZKCAC-UHFFFAOYSA-N 327.431 1.083 0 40 EDAB CCOC(=O)c1cnc(NC(=S)NCc2ccncc2)nc1C 225197731 AMZNMHDIVWOKNB-UHFFFAOYSA-N 331.401 1.843 0 40 EDAB Cc1csc(=O)n1CC(=O)NCC1(N(C)C)CCCCCC1 44889081 GGXMIZSGJUFMGP-UHFFFAOYSA-N 325.478 1.989 0 40 EDAB CCOc1ccc(CC(=O)N2CCN(CCn3ccnc3)CC2)cc1 75158014 VJQSJHNHKBYTLQ-UHFFFAOYSA-N 342.443 1.669 0 40 EDAB Cc1cc(CNC(=O)/C=C/c2ccccc2)nc(N2CCOCC2)n1 224226538 TZXYFVRUYFARGY-BQYQJAHWSA-N 338.411 1.951 0 40 EDAB O=C(O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 40283635 TWHUTHKWMPBAMT-AWEZNQCLSA-N 334.763 1.805 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 96042275 VYZGHYMJLHQNSH-JLJPHGGASA-N 327.384 1.871 0 40 EDAB CN1C(=O)CC[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H]1c1cncn1C 583619157 DNSNTRCPXXIDAK-IAQYHMDHSA-N 349.822 1.504 0 40 EDAB CN(C)C[C@]12COC[C@H]1CN(C(=O)c1cn(C)c3ccccc13)C2 96108256 AEADVYBPRHYQSV-KUHUBIRLSA-N 327.428 1.829 0 40 EDAB CCS(=O)(=O)N[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@@H]21 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327.432 1.989 0 40 EDAB Cc1ccc(C(=O)C2CCN([C@@H]3CNS(=O)(=O)C3)CC2)c(C)c1 585086983 VZNMSCIJNMNTDU-OAHLLOKOSA-N 336.457 1.500 0 40 EDAB COc1ccccc1-n1cc(S(=O)(=O)N(C)c2cnccn2)cn1 252483026 DSTAHHWVOIEHAE-UHFFFAOYSA-N 345.384 1.496 0 40 EDAB Cc1cc(CNC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)no1 585121132 GRTKMWDEKUZMOB-MLGOLLRUSA-N 339.392 1.360 0 40 EDAB CSc1ncc2c(N3CCN4C(=O)OCC[C@@H]4C3)nccc2n1 585118242 HZPFDXJOGCURRA-SNVBAGLBSA-N 331.401 1.778 0 40 EDAB CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCCSCC1 585121846 CGCVEIJZXASUPE-ZDUSSCGKSA-N 343.493 1.503 0 40 EDAB C[C@H](N[C@@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ncn(C)n1 585117647 PZXBIMMSCSUGBR-AVGNSLFASA-N 339.440 1.490 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(Cc2nccs2)C1 257204225 ATPXPUOFBSZIDG-LLVKDONJSA-N 340.474 1.724 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cncc(Cc2cccc(F)c2)c1 257246528 IUNJLKPDOFXJHL-INIZCTEOSA-N 348.399 1.728 0 40 EDAB C1=CO[C@@H](C2NC([C@H]3CCC=CO3)NC([C@H]3CCC=CO3)N2)CC1 255188720 LDQSSOXKHWNDPH-WAQAYOHYSA-N 333.432 1.825 0 40 EDAB COCC1(CNC(=O)NCC(=O)N2Cc3ccccc3C2)CCC1 252480864 CFJOWZREPJHYOQ-UHFFFAOYSA-N 331.416 1.645 0 40 EDAB Cc1noc(C)c1C(=O)N(C)C[C@@]1(O)CCCN(c2cnccn2)C1 257276672 NURHXLAUVKQBBN-KRWDZBQOSA-N 345.403 1.185 0 40 EDAB COC(=O)[C@@H]1CCN2C(=O)N(c3cccc4c3ccn4C)C(=O)[C@H]2C1 586871196 CZRCZERQSBCGNM-IAQYHMDHSA-N 341.367 1.899 0 40 EDAB COC1(c2nc(Cl)c(Cl)[nH]2)N(C(C)C)C(=O)C(=O)N1C(C)C 255189399 PPPQKULPMBUBHT-UHFFFAOYSA-N 349.218 1.961 0 40 EDAB CC(=O)c1sc(NC(=S)NC[C@@H]2CCS(=O)(=O)C2)nc1C 575420567 CVAIMENNAYEPNU-VIFPVBQESA-N 347.487 1.375 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1ccc2ccccc2n1 585277039 FKMSTHVUBIHVIQ-IBGZPJMESA-N 341.411 1.992 0 40 EDAB COCCc1cnc2n1CCN(S(=O)(=O)c1cccnc1)[C@@H]2C 585098679 WVWXENZORUEOIR-GFCCVEGCSA-N 336.417 1.233 0 40 EDAB COCc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@@H]2C 585097428 LPISCKSRJDBBLC-LLVKDONJSA-N 344.371 1.299 0 40 EDAB NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 47032003 NKCPYEYPQOAHHC-VIFPVBQESA-N 336.335 1.591 0 40 EDAB O=C(/C=C/c1ccccc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 69421358 WQWJRJMWNLYMPQ-ZUQFGZKASA-N 348.468 1.468 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cnc(-c3ccco3)s2)CC1 69951558 OBWXMJPETCOOIH-GFCCVEGCSA-N 335.429 1.932 0 40 EDAB COC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 83995951 TYMLLGBGBLYUFG-SMDDNHRTSA-N 330.384 1.206 0 40 EDAB Cn1ncc(Cl)c1C(=O)NCCn1cc(Br)cn1 2776641 DBHNEVGUJAQQPN-UHFFFAOYSA-N 332.589 1.463 0 40 EDAB CC(C)NC(=O)c1nc(O)c2nnn(Cc3cccc(Cl)c3)c2n1 5059023 AIAGGZYOFFZYLD-UHFFFAOYSA-N 346.778 1.767 0 40 EDAB C[C@@H](NC(=O)C1Oc2ccccc2O1)c1nc(-c2ccncc2)n[nH]1 12197258 PMVWPDZOEZKFDP-SNVBAGLBSA-N 337.339 1.841 0 40 EDAB CCOc1ccc(N2CCn3c2nnc(C(=O)NC(C)C)c3=O)cc1 12234010 PEHNJOSXXMNGHM-UHFFFAOYSA-N 343.387 1.327 0 40 EDAB NC(=O)c1nn(-c2ccc(F)cc2)s/c1=N\C(=O)c1ccccc1 16948523 XHZXCMFIFQNUJV-MNDPQUGUSA-N 342.355 1.913 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3nc(C)c(F)c(O)n3)CC2)s1 1888843286 WTWFRJDMOSIJSH-UHFFFAOYSA-N 336.392 1.962 0 40 EDAB Cc1nc2ccccn2c1C(=O)N1C[C@@H]2CN(c3cnccn3)C[C@@H]2C1 1888897904 LVAKPZUIFACGFH-GASCZTMLSA-N 348.410 1.641 0 40 EDAB Cc1cnc(N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)nc1 1888930567 SSYLQYIIFWZGSB-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB Cn1c(N2CCC[C@H](C(=O)N3CCSCC3)C2)nc2cccnc21 1889111365 ABTMPEWWLNFYJP-ZDUSSCGKSA-N 345.472 1.760 0 40 EDAB O=C(NCC(=O)N1CC(Nc2ncccn2)C1)OCc1ccccc1 238918584 STNNSIVUJCGBMC-UHFFFAOYSA-N 341.371 1.026 0 40 EDAB Cc1nc(C(=O)NCCn2c(C)nc3sccc3c2=O)cs1 240104277 UOGLAAHSIZWTCA-UHFFFAOYSA-N 334.426 1.961 0 40 EDAB Cc1cccnc1C(=O)N1CC[C@H]2C[C@@]21C(=O)NCc1cccnc1 2056224370 ZXTQKWAPJWOUFE-KXBFYZLASA-N 336.395 1.706 0 40 EDAB C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 4480821 FYFGEWYFSABBCF-QHSOUUPTSA-N 333.727 1.871 0 40 EDAB CCCN(CCC)S(=O)(=O)CCNC(=O)c1cccc(OC)c1 5272898 XUCMBJDOTIJJDP-UHFFFAOYSA-N 342.461 1.877 0 40 EDAB CCc1cnc2c(c1NCc1ccncc1)c(=O)n(C)c(=O)n2C 12227190 NUQSWKBZRUTYOA-UHFFFAOYSA-N 325.372 1.202 0 40 EDAB COc1ccccc1NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 36382478 QQLFWCJFFZDURI-INIZCTEOSA-N 339.395 1.546 0 40 EDAB O=C(COc1ccccc1)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 116873 HJHQDDWDVAUGIT-UHFFFAOYSA-N 342.380 1.748 0 40 EDAB Cc1c(S(=O)(=O)NC[C@H](C)Cn2cccn2)cnn1C(F)F 36614953 OGLBYPMDCZAZQQ-VIFPVBQESA-N 333.364 1.398 0 40 EDAB O=C(CCN1CCN([C@H]2CCC[C@@H]2O)CC1)Nc1cccc(F)c1 69439125 DQZHNVDRIJHXTK-IRXDYDNUSA-N 335.423 1.685 0 40 EDAB Cn1c(CCC(N)=O)nnc1SCc1cc(-c2ccco2)on1 7383517 ZNWHRZWBXZFBGA-UHFFFAOYSA-N 333.373 1.773 0 40 EDAB Cc1ccc(-n2nc(C)c(C(=O)N[C@@H]3CCCCNC3=O)n2)c(C)c1 40521504 FDFVSHQJXUSYNS-CQSZACIVSA-N 341.415 1.591 0 40 EDAB COc1cccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)c1 3427879 PMWIYEMZIVEUAO-UHFFFAOYSA-N 348.399 1.873 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C(N)=O 4411699 ISLZORWOLRRLKK-UHFFFAOYSA-N 348.380 1.666 0 40 EDAB CCc1cc(NCc2ccnc(N3CCOCC3)c2)n2ncnc2n1 51827973 OTTFHYKBEIHQAK-UHFFFAOYSA-N 339.403 1.530 0 40 EDAB CC(C)N1C[C@H](C(=O)Nc2cccc(NS(C)(=O)=O)c2)CC1=O 32354288 KCXQHIRBOUYWCO-LLVKDONJSA-N 339.417 1.254 0 40 EDAB C[C@@H](c1ccccc1)n1cc(C(=O)NCCCN2CCCC2=O)nn1 4986116 FWBVJJVEOIAIPW-AWEZNQCLSA-N 341.415 1.630 0 40 EDAB CCc1nnsc1C(=O)NCc1ccc(N2CCOCC2)nc1 21043993 AKXJRPDXSOTTIL-UHFFFAOYSA-N 333.417 1.262 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@@H]1CCN(c3ccc(F)cc3)C1=O)C2 69461871 OOYIDXNAWWKFML-AWEZNQCLSA-N 343.362 1.121 0 40 EDAB O=C(COc1ccccc1Cl)N(C1CC1)[C@H]1CCS(=O)(=O)C1 8291104 WYLMTCQARXJLJD-LBPRGKRZSA-N 343.832 1.897 0 40 EDAB Cc1cc(NC[C@H](c2cccs2)N2CCOCC2)n2ncnc2n1 32717178 SHEFRLSGPMIOED-CYBMUJFWSA-N 344.444 1.980 0 40 EDAB CC(=O)NCCCNC(=O)N[C@H](c1ccccc1F)c1nccn1C 29731245 KCOAZDQDQAGJJT-OAHLLOKOSA-N 347.394 1.474 0 40 EDAB O=C(O)[C@H]1CCC(=O)N(CCCn2cccn2)[C@@H]1c1cscn1 69557580 LNZASBMVCCHRKZ-FZMZJTMJSA-N 334.401 1.794 0 40 EDAB COc1ccc(OC[C@H](O)Cn2nnc(-c3cccnc3)n2)cc1 32815375 WJQUDBKGJJPLOS-CYBMUJFWSA-N 327.344 1.184 0 40 EDAB NS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 69515475 KNBHKANFCIQGBQ-JTQLQIEISA-N 335.832 1.484 0 40 EDAB CCCCN1C(=O)NC(=O)[C@@]2(Cc3cc(C)ccc3N(C)C2)C1=O 2605359 FGOYTGPFURHLSP-SFHVURJKSA-N 329.400 1.852 0 40 EDAB O=C(c1cccc(O)c1)N1CCN(C(=O)c2ccccc2O)CC1 69531095 OFGUFLVXDCUOCY-UHFFFAOYSA-N 326.352 1.696 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)N1CCO[C@H]2CCCC[C@H]21 46493832 OHNLCVWUTVJRNW-AEFFLSMTSA-N 341.411 1.957 0 40 EDAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCC2(CC1)OCCO2 37170845 KBHRQFAIUUBREU-CYBMUJFWSA-N 348.374 1.544 0 40 EDAB CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(F)cc1 573007 BTRJPNDFHIGUSN-UHFFFAOYSA-N 328.409 1.895 0 40 EDAB CCN1CCCC[C@H]1C(=O)OCc1cc(=O)n2cccc(C)c2n1 71921308 FFOSQKBNSNGEOW-HNNXBMFYSA-N 329.400 1.921 0 40 EDAB CN(C)C(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl 2786139 ANOVDNKHQQMPNW-UHFFFAOYSA-N 325.217 1.946 0 40 EDAB CNC(=O)C1CCN(CC(=O)N2CCCc3cc(OC)ccc32)CC1 12334734 FWAOVSIQVLPKCD-UHFFFAOYSA-N 345.443 1.432 0 40 EDAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CC(=O)n1nnc2ccccc21 101530924 OCDCWSPHXVTQDJ-LJITYGPFSA-N 348.362 1.125 0 40 EDAB COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1c(C)n[nH]c1C 24350527 BWTHBBDRHQWBSL-UHFFFAOYSA-N 335.385 1.565 0 40 EDAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)NCCNC(C)=O)c1 43141263 PRTWNLHBFXRBKD-HNNXBMFYSA-N 335.404 1.686 0 40 EDAB CN(C)C(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610295 OHFXFUONKPLCJS-UHFFFAOYSA-N 344.864 1.970 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCC[C@H]([C@H](C)O)C1 108390830 VXAFVLWHLPKCQI-GJZGRUSLSA-N 343.493 1.937 0 40 EDAB CCCNc1nnc(S(=O)(=O)[C@@H](C)C(=O)NC(C)(C)C)s1 61041937 MEUNABFHHNGYDJ-QMMMGPOBSA-N 334.467 1.437 0 40 EDAB COc1ccccc1N[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 57748143 RDFCMDBCWSLMHU-RYUDHWBXSA-N 326.418 1.141 0 40 EDAB CCOc1ccc(CNS(=O)(=O)c2ccc(C(N)=O)cc2)cc1C 69815811 CCTRDCAWWYWJKG-UHFFFAOYSA-N 348.424 1.971 0 40 EDAB COc1ccc(OCCNC(=O)NCc2cccnc2OC)cc1 12545618 LFIBZTLSWBWHKN-UHFFFAOYSA-N 331.372 1.977 0 40 EDAB CCOC(=O)Cc1nc(CCNc2ccc(OC)c(OC)c2)n[nH]1 62719369 LCWRRVLIZJWPIT-UHFFFAOYSA-N 334.376 1.582 0 40 EDAB CCOc1ncccc1NC(=O)CN1C(=O)COc2ccccc21 27514073 XYTHJVFNZYKNGR-UHFFFAOYSA-N 327.340 1.844 0 40 EDAB OCc1cc(F)cc(CO)c1OCc1cnn(-c2ccccc2)n1 44944242 YWZOEJLFMBGQGW-UHFFFAOYSA-N 329.331 1.970 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1OC 44937568 NLHGJIXHPZIYPS-UONOGXRCSA-N 340.445 1.609 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ncn(Cc3cccnc3)n2)cc1 58355128 QMSBWEZUUOLGCM-UHFFFAOYSA-N 345.384 1.531 0 40 EDAB Cc1csc([C@@]2(O)C(=O)N(Cc3ccccc3)C[C@@H]2C(=O)O)n1 36379770 URQDNBNFAAJOQU-MLGOLLRUSA-N 332.381 1.382 0 40 EDAB in-vitro CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCSC1=O 48236292 KYKLXDDXDILIMT-UHFFFAOYSA-N 336.413 1.975 0 40 EDAB CC(C)C[C@@H](NC(N)=O)C(=O)NCc1ccc(Cn2cncn2)cc1 48290866 COXAVGQFINCSLV-OAHLLOKOSA-N 344.419 1.026 0 40 EDAB COc1ccc(Cl)cc1CNC(=O)NC[C@H]1CCS(=O)(=O)C1 48265225 JROALENZKRHPCB-SNVBAGLBSA-N 346.836 1.583 0 40 EDAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 3605946 SKBMDBNLJOHXQV-AWEZNQCLSA-N 343.427 1.989 0 40 EDAB CC(C)(C)c1ccc(=O)n(CN2CCN(c3ccncc3)CC2)n1 66792166 AEAHVYOHDRFTCX-UHFFFAOYSA-N 327.432 1.716 0 40 EDAB Nc1nc(SCC(=O)N2CCS[C@H]2c2ccccc2F)n[nH]1 8538398 HEZIAKHTENSHCL-NSHDSACASA-N 339.421 1.892 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)c3cccnc3OC)CC2)n1 69630532 VRUCQLUAMPEEDV-UHFFFAOYSA-N 343.387 1.160 0 40 EDAB CCOC(=O)N1CCC(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 69658010 SQVWBZCSBOLLGH-TXEJJXNPSA-N 334.438 1.046 0 40 EDAB O=C(N[C@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccccc1 39614611 WPXPRJVFLONKAC-MRXNPFEDSA-N 336.347 1.954 0 40 EDAB O=C(NC[C@H]1CN(Cc2ccoc2)Cc2ccnn21)N1CCCC1 306138795 SHSSQVLEKZRVTK-INIZCTEOSA-N 329.404 1.838 0 40 EDAB CS(=O)(=O)CCSCc1nc(-c2ccc3c(c2)OCO3)no1 69775138 YYLLWYQADCPMOI-UHFFFAOYSA-N 342.398 1.743 0 40 EDAB Cc1cccc(C)c1NC(=O)CNC(=O)CCNC(=O)c1ccco1 8075595 JGMNXDUOVIRAKW-UHFFFAOYSA-N 343.383 1.771 0 40 EDAB CC(C)n1nnnc1S[C@@H](C)C(=O)NC(=O)NC1CCCC1 14093635 LASBHEMMHOTUOX-VIFPVBQESA-N 326.426 1.503 0 40 EDAB CCCNC(=O)CN(Cc1ccccc1)[C@@H](C)CN1CCOCC1 65504991 CJNPPKYMIKHTHQ-KRWDZBQOSA-N 333.476 1.736 0 40 EDAB CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCCNC2=O)cn1 65587397 BADRMSLOYNOZFG-AWEZNQCLSA-N 333.436 1.396 0 40 EDAB CC(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 6436691 HTJGPAHJTDNDON-UHFFFAOYSA-N 337.353 1.504 0 40 EDAB CC(=O)c1c(SCC(=O)N[C@H](C)c2ccco2)nc(=O)[nH]c1C 14149348 WJQWOJNUABYQEY-MRVPVSSYSA-N 335.385 1.843 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1ncnc2c1cnn2C 14151153 QLHDERZABXUGIN-SECBINFHSA-N 336.421 1.326 0 40 EDAB CCCNC(=O)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 5702098 GRPVSMFYCKGFMI-UHFFFAOYSA-N 347.396 1.584 0 40 EDAB COCCN(Cc1cccnc1)S(=O)(=O)c1cncc(F)c1 66578233 AHURZNLKZKDNMB-UHFFFAOYSA-N 325.365 1.453 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1F 69348930 GIRUUZXOGZICOA-OAHLLOKOSA-N 336.388 1.342 0 40 EDAB COC[C@@H](C)NC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 66982420 WWWYGZLTSUIDAY-CJNGLKHVSA-N 339.411 1.533 0 40 EDAB COCc1cc(=O)n(CC(=O)NC2CCCC2)c(N2CCCC2)n1 67256870 ADINRFDMHUIWTB-UHFFFAOYSA-N 334.420 1.049 0 40 EDAB COC(=O)c1ccc(NC(=O)c2cnn3c(=O)cc(C)[nH]c23)cc1 67225478 ACIKOMFUPRYFSC-UHFFFAOYSA-N 326.312 1.370 0 40 EDAB CC(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCC[C@@H]32)C1=O 9012335 XFMACZKZWJXEGM-KDOFPFPSSA-N 327.384 1.685 0 40 EDAB O=C(Cc1ccon1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 89834978 GMCOCXXFFJYXRK-IRXDYDNUSA-N 327.384 1.329 0 40 EDAB COCc1nc([C@H]2CCCCCN2S(=O)(=O)N(C)C(C)C)no1 96000618 FENSCLUMPJYCNX-GFCCVEGCSA-N 346.453 1.718 0 40 EDAB CCN(C(=O)COc1ccccc1P(=O)(O)O)c1ccccc1 9420490 QFMMRGWYJPOOGN-UHFFFAOYSA-N 335.296 1.922 0 40 EDAB CNc1cc2c(nn1)CCN(C(=O)CN(C)c1ccc(Cl)cn1)C2 71860161 HZPKPRUKDHTPPH-UHFFFAOYSA-N 346.822 1.588 0 40 EDAB O=C(COC[C@@H]1CCCO1)N[C@H]1CCN(c2ccc(F)cc2F)C1 71883707 KZDQEZVJYXYRMM-KBPBESRZSA-N 340.370 1.855 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccc(-n2cccn2)cc1 71829559 JJDCGSBDIOOZRI-ZFWWWQNUSA-N 326.400 1.527 0 40 EDAB O=C1O[C@@H](C(=O)NCc2cn3ccsc3n2)Cc2ccccc21 71855924 OYJCDESMWOXRRI-CYBMUJFWSA-N 327.365 1.794 0 40 EDAB O=C(c1ccc(-n2cccn2)nc1)N1CCC(Nc2cccnn2)CC1 71863350 FAOPRMWKJJNACA-UHFFFAOYSA-N 349.398 1.774 0 40 EDAB NC(=O)c1csc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 71841503 IXKCEBSTCPGONG-SNVBAGLBSA-N 349.387 1.060 0 40 EDAB CC(C)OCc1cccc(CNC(=O)CN2CCN(C)C[C@H]2C)c1 89939082 ZTRMPLFISIQMRW-MRXNPFEDSA-N 333.476 1.864 0 40 EDAB O=C(NCc1nnc2ccccn12)N[C@H]1CCN(c2ccccc2)C1 72270044 NMLMQEUVKJNCLS-AWEZNQCLSA-N 336.399 1.807 0 40 EDAB O=C(NCCN1C(=O)CCC1=O)Nc1cccc(-c2nnco2)c1 72283353 KVSXBDKXFHADPT-UHFFFAOYSA-N 329.316 1.007 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)no1 72299341 AYWIBVIRCPZTCU-AWEZNQCLSA-N 340.383 1.952 0 40 EDAB COCCS(=O)(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 72230492 RPBYYZNCZADKHZ-NSHDSACASA-N 326.418 1.662 0 40 EDAB O=C(C1CCC1)N1CCN(CC(=O)N2CCOc3ccccc32)CC1 72283716 YKHCLZPBMJEAHR-UHFFFAOYSA-N 343.427 1.356 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 72234053 JZZQVNXVSPPNRM-HIFRSBDPSA-N 330.432 1.711 0 40 EDAB CCSc1cc(C(=O)N2CCN(CCn3cncn3)CC2)ccn1 72293055 HAUCGMBWENTHHH-UHFFFAOYSA-N 346.460 1.243 0 40 EDAB COC(=O)CN(CC1CC1)C(=O)c1csc(-c2cnn(C)c2)n1 75582341 XDFXOGUFZCWDPL-UHFFFAOYSA-N 334.401 1.569 0 40 EDAB CCn1cc(CN2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)cn1 97084981 RYTZORCKZWSVOC-INIZCTEOSA-N 339.399 1.556 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1Cl 97064160 KTBIMTHFANLIES-DTWKUNHWSA-N 333.793 1.880 0 40 EDAB CC[C@H](CO)N1CCN([C@@H](C)c2nnnn2-c2ccccc2)CC1 75961902 BAIBXGYXTRVKMX-LSDHHAIUSA-N 330.436 1.112 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CC2 97199048 BPNSQSVMHXPRDR-KBPBESRZSA-N 339.399 1.071 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCOC[C@H]3c3cccn3C)c2n1 97162818 MHRKPMDFTWAVNA-HNNXBMFYSA-N 325.372 1.590 0 40 EDAB CN(C)[C@H](CNc1ncnc2c1cnn2CCO)c1ccccc1 97199973 AVEKQYPAVMPUHQ-OAHLLOKOSA-N 326.404 1.533 0 40 EDAB COCCN1CC[C@@H](NC(=O)N2CC[C@H](Cc3ccccc3)C2)C1 76088188 UVFGLMJJLJAJAF-QZTJIDSGSA-N 331.460 1.981 0 40 EDAB Cc1ncc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)c(C(C)C)n1 76053318 ALWFZBIWBRJWFY-BBRMVZONSA-N 332.448 1.701 0 40 EDAB CN(C)C(=O)c1cccc(CNc2ncnc3c2cnn3CCO)c1 97200398 MGQQAGDVCWDUIE-UHFFFAOYSA-N 340.387 1.133 0 40 EDAB Cc1cccc2nc(C[S@](=O)[C@H](C)C(=O)NCC(F)(F)F)cn12 97370512 HWCCAPWXGVMJOC-DJNLSKAYSA-N 347.362 1.958 0 40 EDAB O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)OCc1ccno1 95348861 PFWPFEBVNDYXCL-QPJJXVBHSA-N 348.380 1.971 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 84752972 JBQVZKSCARMUGG-QZTJIDSGSA-N 329.444 1.778 0 40 EDAB Nc1ncc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1c1ncc[nH]1 95433867 JRTXQTKADDZKBS-SNVBAGLBSA-N 341.824 1.956 0 40 EDAB C[C@@H](NC(=O)C[S@](=O)Cc1ccc(Cl)s1)C(=O)N(C)C 95417593 QPFBDQLJPJMXJO-SQFXPLBJSA-N 336.866 1.243 0 40 EDAB CN(C)c1cccc(CNC(=O)NCc2nnc3ccccn23)n1 95437488 KLFLMFPTSVDKIK-UHFFFAOYSA-N 325.376 1.190 0 40 EDAB Cc1ccc(F)c(N(C#N)CC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 95417905 GMUYRUULJWNDLK-AWEZNQCLSA-N 346.406 1.939 0 40 EDAB CCOc1ccc(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)cn1 95469334 BVZODBIJWHOEMB-CQSZACIVSA-N 329.331 1.765 0 40 EDAB O=C1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)[C@H]2CCCC[C@H]2N1 95412482 VKEATLMFADHIQA-HIFRSBDPSA-N 343.362 1.290 0 40 EDAB COC(=O)[C@@H]1CCCN1CC(=O)N(Cc1ccccc1F)C1CC1 95959744 YOEXJOMSCBHFSG-INIZCTEOSA-N 334.391 1.954 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 75017592 BKXDUCJJUVEXME-INIZCTEOSA-N 334.391 1.608 0 40 EDAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1nnc2n1CCC2 86396811 VDPBPDLUNYTDOF-PXAZEXFGSA-N 325.416 2.000 0 40 EDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 75145784 SOIYTZVDKOIVHI-CUBALJKWSA-N 332.400 1.558 0 40 EDAB O=C(NCCc1nnc2n1CCC2)NC1(c2ccccc2F)CC1 86429956 YFTCTTFMMPOYOZ-UHFFFAOYSA-N 329.379 1.894 0 40 EDAB CN(C)c1nccc(N2CCN(c3cnc4ccccc4n3)CC2)n1 352369339 PFFUGFSXXOOYCF-UHFFFAOYSA-N 335.415 1.812 0 40 EDAB CC(C)c1nnc(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)s1 61719996 RDECCWTYSYXNSD-VIFPVBQESA-N 344.400 1.966 0 40 EDAB CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCCC3)cc2)[C@H]1CO 72321468 WXLZFYHRPIAGBM-NVXWUHKLSA-N 332.400 1.706 0 40 EDAB biogenic,in-vitro CN1CCC[C@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)C1 72908570 OXWWSLOWEMEHMK-KRWDZBQOSA-N 329.444 1.767 0 40 EDAB 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40 EDAB CCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 101304779 VUXLYJSVGLYPPC-DJIJKHNZSA-N 329.352 1.999 0 40 EDAB COC(=O)[C@H](O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1 83884275 QBRIZFFRFKRSMH-OAHLLOKOSA-N 341.791 1.491 0 40 EDAB CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(O)[nH]c(=O)[nH]c2=O)N1 20759614 KNPAHWXDSMOWJB-XLKFXECMSA-N 326.356 1.264 0 40 EDAB biogenic CC(C)(C)c1nc(CN2CCCC[C@@H]2CNS(C)(=O)=O)no1 51734874 HBCHSSATYWPFNN-LLVKDONJSA-N 330.454 1.271 0 40 EDAB COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(C(=O)OC)cc1 7552181 CHLRGFQBECFZOC-CYBMUJFWSA-N 334.397 1.781 0 40 EDAB Cc1c(C(=O)N2[C@@H]3CC[C@@H]2CC(O)(c2cccnc2F)C3)cnn1C 100142631 JSJSNATZDBYVLU-CHWSQXEVSA-N 344.390 1.917 0 40 EDAB COc1ccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NC(C)C)[C@H]4C2=O)cc1 108234198 FPOROVPGJATQNN-JEWRLFTDSA-N 342.395 1.506 0 40 EDAB CCc1cccc(OC[C@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 58083136 ZTLKFWYSNKQWPV-RDTXWAMCSA-N 332.400 1.709 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)CN2CCN(c3ncccn3)CC2)c1 32774729 WPGLKGWQOXISQM-KRWDZBQOSA-N 342.443 1.655 0 40 EDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1cc(-c2cccs2)on1 46156041 QIMSPIIRTQOQPV-VIFPVBQESA-N 340.426 1.985 0 40 EDAB Cc1ccn(CCC(=O)Nn2c(S)nc3ccccc3c2=O)n1 102005176 SLAAFVXRZKDNBH-UHFFFAOYSA-N 329.385 1.351 0 40 EDAB C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1F 21708433 OMNNIFHLNMFONQ-LLVKDONJSA-N 326.331 1.808 0 40 EDAB O=C(CN1CCC[C@@H]1CN1CCCCC1)NC1CCN(C2CC2)CC1 69607801 GSGFJBIHDLCEPJ-LJQANCHMSA-N 348.535 1.680 0 40 EDAB CC(C)N1C(=O)C[C@H](NC(=O)c2cc(Br)c[nH]2)C1=O 102688168 PCHDCXMNXFWJFB-VIFPVBQESA-N 328.166 1.043 0 40 EDAB O=C(NCCO)NCc1ccc(N2CCc3ccccc3C2)nc1 42874580 NDUYUGCVADTFTM-UHFFFAOYSA-N 326.400 1.436 0 40 EDAB COC(=O)c1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 17477820 KXEDVPNUUCHBHZ-UHFFFAOYSA-N 337.335 1.822 0 40 EDAB O=C1[C@@H]2ON3CCOC[C@H]3[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 106345310 QNBXMUGKYKVTDB-QJPTWQEYSA-N 342.273 1.209 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)n3cccn3)cn2)CCO1 106566694 ZJLVBEUTEGSDFS-KBPBESRZSA-N 329.404 1.381 0 40 EDAB COc1ccc(C[C@@H]2CCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)cc1 55612581 CRYSBVLDKXIKJF-CABCVRRESA-N 337.441 1.663 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)[C@@H](C(N)=O)c3ccccc3)C2)no1 106868399 ZVYLKDAALHNDEG-NVXWUHKLSA-N 343.431 1.501 0 40 EDAB O=C(NCCCC(=O)N1CCN(CC2CC2)CC1)c1ccc(F)cc1 56093794 MVEFQDUKAXTPRP-UHFFFAOYSA-N 347.434 1.890 0 40 EDAB CCN(CC)C(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1csnn1 67028342 KIZDIORLJVWTFS-LLVKDONJSA-N 325.463 1.542 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)NCCC(=O)NC1CCCCC1 57168925 DTRJELQBOCOGDO-OAHLLOKOSA-N 347.463 1.936 0 40 EDAB Cc1ccc(-c2nc(Cn3nnn(-c4cccs4)c3=O)no2)cc1 26864218 OJUSJOHEIDGSAF-UHFFFAOYSA-N 340.368 1.897 0 40 EDAB CC(C)c1cccc(NC(=O)CN2C(=O)NC3(CCOCC3)C2=O)c1 57936735 OKQLTKLXCAUGHT-UHFFFAOYSA-N 345.399 1.850 0 40 EDAB NC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 10044299 YVFBSMICXVXFRK-CYBMUJFWSA-N 342.779 1.984 0 40 EDAB CCOC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCCC2)cn1 58195362 MVFOVAMIAAJFEP-LLVKDONJSA-N 344.458 1.910 0 40 EDAB COC(=O)c1cccc(OCCn2nc(-c3ccco3)oc2=O)c1 58161957 GCCFXNAULZDUST-UHFFFAOYSA-N 330.296 1.962 0 40 EDAB CNC(=O)NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 27574305 RZAKEYNEEYOSMB-UHFFFAOYSA-N 333.388 1.616 0 40 EDAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1C[C@@H](C)OC[C@@H]1C 27647530 MDMJEUIAJDTMDT-WOSRLPQWSA-N 337.416 1.747 0 40 EDAB COc1ccc(COC[C@@H](O)Cn2nnc(-c3ccccc3)n2)cc1 58283597 KURZVKRVUVUSQT-INIZCTEOSA-N 340.383 1.926 0 40 EDAB CN1CCN(c2ncccc2CNC(=O)COc2ccccc2)CC1 58203546 RBEWETCARDLNFA-UHFFFAOYSA-N 340.427 1.529 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)c1cccnc1OCC(F)(F)F 44943392 YUOLORJEMPENBY-NSHDSACASA-N 347.337 1.473 0 40 EDAB NC(=O)c1ccc(CNC(=O)CNC(=O)OCc2ccccc2)cc1 58357017 AOJJVOBEKFDKKL-UHFFFAOYSA-N 341.367 1.328 0 40 EDAB C[C@H]1CCc2sc3ncn4nc(C(=O)NC[C@@H](C)O)nc4c3c2C1 2225926 JZPPJONMVYUHDE-DTWKUNHWSA-N 345.428 1.574 0 40 EDAB O=C(NCCCOC[C@H]1CCCO1)NC[C@H]1Cc2ccccc2O1 45160982 XVNBBWIBZHICGP-HZPDHXFCSA-N 334.416 1.875 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)c(=O)[nH]1 69775784 ZRYVIKZRDUDIRS-GFCCVEGCSA-N 333.338 1.970 0 40 EDAB COC(=O)[C@@H](CNC(=O)Nc1nncs1)Cc1cccc(C)c1 69704771 XVKSCFVMWYOEEP-GFCCVEGCSA-N 334.401 2.000 0 40 EDAB COc1ccccc1CNC(=O)CN1C(=O)C2(CCCC2)N=C1O 3362230 OULKZHNAPZRUTH-UHFFFAOYSA-N 331.372 1.380 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NCc1ccc(N2CCCC2)nc1 48236197 ZEOCAIALEDQFRF-AWEZNQCLSA-N 328.420 1.766 0 40 EDAB C[C@H](C(=O)NCc1ccc(-n2cncn2)nc1)n1cnc2ccccc21 48278687 KGRSOKRBVQTRRM-CYBMUJFWSA-N 347.382 1.889 0 40 EDAB NC(=O)[C@@H](OC(=O)Cn1c(=O)oc2ccccc21)c1ccccc1 48263050 BMEHGQFCFWCRFV-HNNXBMFYSA-N 326.308 1.364 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCc1cccnc1 48313297 JISNMVVYNAPKGA-UHFFFAOYSA-N 335.367 1.394 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1OC 3487731 JJXZKBNAZINHJO-LBPRGKRZSA-N 349.387 1.609 0 40 EDAB NC(=O)Nc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 3422114 YFXAEDAKRIYPDS-CYBMUJFWSA-N 327.340 1.747 0 40 EDAB Cc1csc([C@](O)(CC(=O)N2CCO[C@@H](C)C2)C(F)(F)F)n1 62640096 BISWOYFMGYSWMM-JOYOIKCWSA-N 338.351 1.839 0 40 EDAB COc1ccc(N2C[C@H](C(=O)Nc3cc(C)on3)CC2=O)cc1OC 12987032 LTBIVJPQVUXQIK-LLVKDONJSA-N 345.355 1.992 0 40 EDAB COc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1OC 13267596 MNKPKGVVWRHIHZ-UHFFFAOYSA-N 343.401 1.770 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1ccc3c(c1)NC(=O)[C@@H](C)S3)C2 69461908 URIIQKYHCYUIOC-SECBINFHSA-N 343.412 1.675 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)NCc1cccc(Br)c1 63796515 CFEDPTATXVKISS-VIFPVBQESA-N 328.210 1.773 0 40 EDAB CC(=O)NCC(=O)NCC(=O)NCC1(c2cccc(C)c2)CCCC1 69453398 PHIXBRIGTUXILN-UHFFFAOYSA-N 345.443 1.175 0 40 EDAB C[C@H](NC(=O)CNC[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1 69873319 QJUZWNOIIQJOLH-SWLSCSKDSA-N 325.840 1.437 0 40 EDAB CCc1nc(CN2CCCN(C(=O)c3cnccn3)CC2)cs1 69807981 FQSHXJGZUHRHIO-UHFFFAOYSA-N 331.445 1.844 0 40 EDAB COc1ccc(Cc2nnc(NC(=O)[C@@H]3CCC(=O)N3)s2)cc1 69813946 BRPPBVRDWGFNFB-NSHDSACASA-N 332.385 1.355 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc(OCC(N)=O)cc2)c1 69925466 XJVZUEUOANGPCG-HNNXBMFYSA-N 342.399 1.360 0 40 EDAB CC(C)OCCCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl 14129471 OQJAXIKTERNSPJ-UHFFFAOYSA-N 334.825 1.532 0 40 EDAB COCCN(Cc1ccccc1)C(=O)COc1ccc(C(N)=O)cc1 14117958 PDWHCYBRXRUFJM-UHFFFAOYSA-N 342.395 1.840 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](N[C@H](C(N)=O)c1ccc(F)cc1)CC2 69919329 ZYAQYERAMNKZHD-HIFRSBDPSA-N 331.395 1.672 0 40 EDAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4512365 GCGMPWGQRXTVMA-RHBQXOTJSA-N 343.379 1.983 0 40 EDAB O=C(NCCNC(=O)c1ccco1)NCC[S@](=O)c1ccccc1 69975399 BSVSBWASBWZGMO-XMMPIXPASA-N 349.412 1.116 0 40 EDAB CC(C)n1cc(CN2C[C@H]3OC[C@H](CN4CCCC4=O)[C@H]3C2)cn1 306138909 SKORRBCHLJMVQS-GVDBMIGSSA-N 332.448 1.533 0 40 EDAB COc1ccccc1-c1nc(S(C)(=O)=O)nn1Cc1ccccn1 4709074 OYUUCASAZOIIFS-UHFFFAOYSA-N 344.396 1.801 0 40 EDAB C[C@H]1CN(C(=O)NCC(=O)N2CCCC2)C[C@@H](c2ccccc2)O1 67590995 OEZQXOUIFCCQFN-HOCLYGCPSA-N 331.416 1.780 0 40 EDAB Nc1nccnc1C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 7699047 XBVGIWGACSAESO-ZDUSSCGKSA-N 326.356 1.409 0 40 EDAB CCCCN(CC(N)=O)C(=O)/C=C/c1ccc2c(c1)OCCCO2 71795588 SZQRFGDSWKCPIV-SOFGYWHQSA-N 332.400 1.975 0 40 EDAB NC(=O)c1ccc(N2CC[C@H](OCCCc3ccccc3)C2)nn1 96456747 XUBDYQIEHMACOS-HNNXBMFYSA-N 326.400 1.804 0 40 EDAB Cc1cc(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)n(C)n1 96405507 CNRSMVRKNLBEHZ-QGZVFWFLSA-N 342.443 1.402 0 40 EDAB COc1cccc(C[C@@H]2NS(=O)(=O)c3ccccc3[C@H]2O)c1OC 9576202 ZERNXQGWFDJTGH-XJKSGUPXSA-N 349.408 1.640 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1CCCC[C@H]1Cn1cncn1 71876214 KQTHGDXKMOLDOF-HNNXBMFYSA-N 333.461 1.853 0 40 EDAB CCc1noc(CN(C)C(=O)c2ccc(N3CCOCC3)c(F)c2)n1 71883331 QBECWTKSQWGHQE-UHFFFAOYSA-N 348.378 1.880 0 40 EDAB CC[C@H]1CN(CCC(=O)NC2CCCCC2)CCN1C[C@@H](C)O 71879598 RXZAGOOCKXJCHB-WBVHZDCISA-N 325.497 1.602 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 71865504 UGHUOVRYDQTAFX-DOTOQJQBSA-N 344.459 1.892 0 40 EDAB O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@H]1COCCO1 71847578 UYJVXEKSJRTFPE-SECBINFHSA-N 338.257 1.715 0 40 EDAB COc1ccc(OCCCN2CCC[C@H](N3CCNC3=O)C2)cc1 71830572 IEBMWUISLJIATO-HNNXBMFYSA-N 333.432 1.954 0 40 EDAB C[C@@H](NC(=O)C[C@H]1CCCc2ccccc21)C(=O)N1CCOCC1 71888054 XGOPMYUSNSMZGM-GDBMZVCRSA-N 330.428 1.860 0 40 EDAB COc1cccc(OC)c1OC1CCN(C(=O)c2n[nH]c(O)n2)CC1 71819886 LEFNEWNIUJBQDI-UHFFFAOYSA-N 348.359 1.211 0 40 EDAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1ccn(C(C)C)n1 83733920 NHBZJJIHMFRXRJ-AWEZNQCLSA-N 331.424 1.741 0 40 EDAB COCCOCC(=O)Nc1ccc(I)cn1 76022126 IMEDEZQVXNRQCT-UHFFFAOYSA-N 336.129 1.288 0 40 EDAB CNC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F 96982416 CZNCKOGWSVDRET-UHFFFAOYSA-N 337.729 1.975 0 40 EDAB Cn1cc(CNC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)cn1 76041396 MPOCCUJBNGYCJV-IBGZPJMESA-N 340.427 1.979 0 40 EDAB CCN1C[C@H](C(=O)Nc2ccc(C)cc2OCCN(C)C)CC1=O 72291543 ONGMCDDPLWDPPE-CQSZACIVSA-N 333.432 1.742 0 40 EDAB COC(=O)c1cc(Br)ccc1OCc1ncnn1C 97011492 ZLUYFNLQLXFCDJ-UHFFFAOYSA-N 326.150 1.943 0 40 EDAB O=C1OCC[C@@H]1N1CCN(c2ccc(Br)cn2)CC1 97079682 LNUJKNGGMFHKHJ-NSHDSACASA-N 326.194 1.282 0 40 EDAB O=C1CN(C(=O)CNc2c(F)cc(F)cc2Br)CCN1 97081962 CBEKIQKTYUXJKJ-UHFFFAOYSA-N 348.147 1.098 0 40 EDAB Cc1nc(N[C@H]2CCc3nnc(C(C)C)n3C2)c2cnn(C)c2n1 97199303 WNKDYTBPNZJYES-NSHDSACASA-N 326.408 1.814 0 40 EDAB COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 72301637 BTWOHTSYPYJKCH-NFAWXSAZSA-N 335.404 1.980 0 40 EDAB COc1ccc(C)cc1[C@H](O)CN1CCc2ncnc(N(C)C)c2C1 97202510 OLYSYGXTRZQULG-QGZVFWFLSA-N 342.443 1.951 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCCNc2ccccn2)[C@@H]1c1cccs1 95399508 CUSVLZTXHUULDG-MLGOLLRUSA-N 344.440 1.891 0 40 EDAB Cn1cc(NC(=O)C(=O)NCC2(c3ccccc3Cl)CC2)cn1 95449074 YIYYTPFYEDQBGM-UHFFFAOYSA-N 332.791 1.860 0 40 EDAB COC1(C)CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1 95453053 SSIZFENCICOVNW-CQSZACIVSA-N 334.391 1.925 0 40 EDAB CC(=O)N1CC[C@@H](NC(=O)COc2ccccc2Br)C1 95448970 SHWSROFHOROYMR-LLVKDONJSA-N 341.205 1.565 0 40 EDAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC[C@H]1NC(=O)NC1=O 97931241 AQXLHVAIBIVMOJ-GXTWGEPZSA-N 331.416 1.847 0 40 EDAB CN(CC(=O)NC1CCOCC1)[C@H]1CCCN(c2ccccc2)C1 78969222 XMZGQRCKPVWYAZ-SFHVURJKSA-N 331.460 1.882 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)NC[C@H]1CCCC[C@@H]1O 79066296 KEHTZVDSNOIZOE-YGRLFVJLSA-N 326.343 1.362 0 40 EDAB O=C(Nc1cccn(Cc2ccccc2)c1=O)N1CCC[C@H](O)C1 88428540 KDFHAXYXRAGASH-HNNXBMFYSA-N 327.384 1.885 0 40 EDAB CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC(=O)NC(C)C 95965015 YLEBARYDKTUNMY-KRWDZBQOSA-N 348.491 1.252 0 40 EDAB NC(=O)CCCNC(=O)c1cn(-c2cccc(Cl)c2F)nn1 95988773 IOZDFWJFSYRYHC-UHFFFAOYSA-N 325.731 1.055 0 40 EDAB C[C@H](COc1ccccc1)NC(=O)CN(C)c1ncnc2[nH]cnc12 95954328 QGVBZTOAVKISJR-GFCCVEGCSA-N 340.387 1.373 0 40 EDAB CCc1cnc(CN2CC[C@@H](N(Cc3noc(CC)n3)C(C)=O)C2)o1 89289617 HHSCGTHJJIXGBA-CYBMUJFWSA-N 347.419 1.805 0 40 EDAB C[C@H](NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)c1ccccc1 408654184 JZZLCAIUZAFEQN-GSXLNMSXSA-N 343.379 1.605 0 40 EDAB Cc1nc(S(=O)(=O)NC(=O)[C@H]2CCc3n[nH]cc3C2)sc1C 408502764 TTYSKNQKKPJCJT-VIFPVBQESA-N 340.430 1.093 0 40 EDAB CCC(CC)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 36832537 GIFSZLHYWNOMKT-UHFFFAOYSA-N 328.434 1.621 0 40 EDAB COC(=O)CCN1CCN(C(=O)c2ccc(F)c(F)c2F)[C@@H](C)C1 180380208 DTJBAGBYLSGZRE-JTQLQIEISA-N 344.333 1.813 0 40 EDAB CC(C)CNC(=O)C[S@](=O)Cc1nc(-c2ccc(F)cc2)no1 79324531 HHYFDIKYSVMUPN-HSZRJFAPSA-N 339.392 1.897 0 40 EDAB N[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218488907 KWSKWCXUZRABRJ-OWCLPIDISA-N 337.828 1.970 0 40 EDAB CC(C)CNC(=O)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35314193 DBRUAQPKMIBVOY-UHFFFAOYSA-N 342.447 1.602 0 40 EDAB O=C(N[C@@H](CO)C(=O)NOCc1ccccc1)OCc1ccccc1 35636530 ATHRZWZDILASFM-INIZCTEOSA-N 344.367 1.522 0 40 EDAB in-vitro CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 77735453 HNDNPLVKAXIORR-WDEREUQCSA-N 333.367 1.896 0 40 EDAB CN(c1nc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)cs1)C1CC1 566538985 PCZZUCVEGHINJZ-CYBMUJFWSA-N 344.506 1.207 0 40 EDAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218523305 RSPXKHMQBUSDDP-JZXOWHBKSA-N 345.420 1.964 0 40 EDAB Cc1ccc(-n2cc(C(=O)N3CCN(c4ncccn4)CC3)nn2)cc1 31815502 DCQWFOYLOXFTSV-UHFFFAOYSA-N 349.398 1.328 0 40 EDAB O=C(O)c1cn([C@H]2CCCN(C(=O)c3cccc4c3OCO4)C2)nn1 565029730 FHPDAPVNXWECIN-JTQLQIEISA-N 344.327 1.182 0 40 EDAB COCC[C@H](CO)NC(=O)NCc1cc(Br)ccc1C 225584350 UIQSKGJYVQQLGT-CYBMUJFWSA-N 345.237 1.954 0 40 EDAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C 223660755 SPJRFDHGTZDFSU-HOTGVXAUSA-N 344.440 1.956 0 40 EDAB O=S(=O)(Cc1cccc(F)c1)NCCc1nnc2ccccn12 81063919 HZCLJQGAZKSOGG-UHFFFAOYSA-N 334.376 1.531 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@H](O)c2csc3ccccc23)c1 225696942 YKZILINRYGNVLT-LBPRGKRZSA-N 337.426 1.647 0 40 EDAB CN(Cc1ccccc1)C(=O)c1nn(C)c2c1CS(=O)(=O)CC2 41070545 CGNIZWPILFJRKZ-UHFFFAOYSA-N 333.413 1.163 0 40 EDAB O=C(NCCCn1ccnc1)c1ccc(O[C@H]2CCSC2)nc1 225712861 HATQIRTWWZHNJN-AWEZNQCLSA-N 332.429 1.983 0 40 EDAB Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)cc(=O)n1C 225696631 YRBZNHDAORVMBE-UHFFFAOYSA-N 341.411 1.663 0 40 EDAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O)c1cnccn1 85467419 MOGTYWQOGRACQQ-OAHLLOKOSA-N 342.374 1.579 0 40 EDAB Cc1cccc(CN(CC(=O)O)S(=O)(=O)c2cncc(F)c2)c1 572242185 LYULKXRZQLFZFH-UHFFFAOYSA-N 338.360 1.805 0 40 EDAB CCOC(=O)Cn1c(=O)nc(N)c2c3c(sc21)COC(C)(C)C3 40287047 VYEIUXSEEQZJKY-UHFFFAOYSA-N 337.401 1.455 0 40 EDAB CCNS(=O)(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 192934908 CUZBDKMAQCIBSO-GFCCVEGCSA-N 332.495 1.060 0 40 EDAB C[C@H]1CN(CCN(C)C(=O)N[C@H]2CCc3[nH]ncc3C2)C[C@@H](C)O1 195035124 SSKOEWFKYPFUKJ-GUTXKFCHSA-N 335.452 1.018 0 40 EDAB O=S1(=O)N[C@@H]2CN(Cc3nccs3)C[C@@H]2Oc2ccccc21 514288840 CFWZOXSRFPXLQU-PWSUYJOCSA-N 337.426 1.067 0 40 EDAB biogenic,in-vitro O=S(=O)(Cc1noc(C2CC2)n1)c1nnc(-c2ccccc2F)[nH]1 195131568 RHNBSZPLXCPOKT-UHFFFAOYSA-N 349.347 1.845 0 40 EDAB COc1ccc(C(=O)N[C@H]2CCc3nn(C)c(=O)cc3C2)cc1F 225788842 VWEJKAKCZBPWSQ-LBPRGKRZSA-N 331.347 1.215 0 40 EDAB Cc1ccc(-n2cnc(C(=O)NCCCN3CCOCC3)c2)cc1 227116280 QQZHIZFDGFFGEC-UHFFFAOYSA-N 328.416 1.633 0 40 EDAB COCCNC(=O)[C@@H]1CCC2(CCN(Cc3cc(C)on3)CC2)O1 96109931 IDHUBTZUFRUVHD-HNNXBMFYSA-N 337.420 1.259 0 40 EDAB O=C1N(CCO)c2ccccc2C12CCN(c1ncc(F)cn1)CC2 96078925 ZCNPNSUWHRSLGM-UHFFFAOYSA-N 342.374 1.493 0 40 EDAB C[C@H](C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2)n1cncn1 97107869 FQGGZOKZVSWGQA-CYBMUJFWSA-N 343.431 1.607 0 40 EDAB O=C(N[C@@H]1CN(CC2CCOCC2)C[C@@H]2CCCO[C@@H]21)c1ccno1 96040654 URDQOPVGRVXWKF-UXLLHSPISA-N 349.431 1.310 0 40 EDAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(C2CCOCC2)CC1 96447998 QODCUIVRLOUQEI-IBGZPJMESA-N 343.471 1.803 0 40 EDAB CC(C)NC(=O)[C@H]1C[C@@H]2CN(C(=O)NCCc3ccccc3)C[C@H]1O2 96100405 SUALPCSQWYLBJK-IXDOHACOSA-N 345.443 1.553 0 40 EDAB Fc1cnc(N2CCOC3(CCN(Cc4cccnc4)CC3)C2)nc1 96159072 ZTTZHDQSWDQCEE-UHFFFAOYSA-N 343.406 1.882 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3ccoc3)CC2)N1 96199717 QUIHNYVUWVXPCJ-HNNXBMFYSA-N 325.368 1.953 0 40 EDAB Cc1cnc(N2CCC[C@]3(CO[C@@H](C(=O)NCC4CC4)C3)C2)nc1 96224847 VZUGATBUMITXQR-CRAIPNDOSA-N 330.432 1.687 0 40 EDAB COc1cc(N2CC[C@H]3OCC[C@@]3(CCNC(=O)C(C)C)C2)ncn1 96208380 DKVCGGYAXHEQQA-KDOFPFPSSA-N 348.447 1.633 0 40 EDAB CN1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)C4CC=CC4)C3)O2)CC1 96220577 ALOGSYCXEHRFTL-UYAOXDASSA-N 347.503 1.740 0 40 EDAB CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)c1cccs1)C2 96203191 OAOMKPPZCURWNT-KRWDZBQOSA-N 335.473 1.907 0 40 EDAB CC(C)CN1C(=O)[C@]2(C[C@@H]2C(=O)NCCN(C)C)c2ccccc21 96243463 GBNBIGZWGQKBBX-DNVCBOLYSA-N 329.444 1.625 0 40 EDAB Cc1ccc(CN2C[C@@H](C(=O)N3CCOCC3)C3(CCOCC3)C2)o1 96160163 BIQQNBMFXMHLAR-KRWDZBQOSA-N 348.443 1.675 0 40 EDAB O=C(N1CCC[C@@](O)(c2cnn[nH]2)C1)C1(c2ccc(Cl)cc2)CC1 583618971 NTSGMFPBNPIHMC-KRWDZBQOSA-N 346.818 2.000 0 40 EDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)Cc4cccs4)C[C@H]3O2)n1 96219722 UHZMREOOCWSBIL-SGMGOOAPSA-N 333.413 1.841 0 40 EDAB O=C(NCC[C@H]1CCOC12CN(c1ncccn1)C2)c1ccncc1 247461708 BBMYTLARDXUYHX-HNNXBMFYSA-N 339.399 1.287 0 40 EDAB CC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccccc2)c1 243365518 MCVPSBYBGOCPQK-UHFFFAOYSA-N 332.381 1.806 0 40 EDAB O=C(CN1CCCC1)N1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 257271592 MYYPJBREINUJHP-IRXDYDNUSA-N 336.407 1.652 0 40 EDAB Cc1cc(-c2cc(C)nc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)[nH]n1 257207243 BGZIRMDEGPLWCW-GFCCVEGCSA-N 335.433 1.623 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2c(C)noc2C)n1 257212777 CEXVLCRTSPOYRH-GFCCVEGCSA-N 331.376 1.645 0 40 EDAB Cc1c(CN2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)cnn1C 257333087 YABWABYGGQVZQT-LBPRGKRZSA-N 337.449 1.235 0 40 EDAB COCCN(C)CCN1C[C@H](NC(=O)c2c(C)cccc2C)CC1=O 585087896 AGQAYLMTDUPPLE-MRXNPFEDSA-N 347.459 1.212 0 40 EDAB O=C(N1CCSCC1)N(CCN1CCOCC1)[C@H]1CCSC1 585115345 XGENFAWVAUKHCH-AWEZNQCLSA-N 345.534 1.295 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1[C@@H](O)c1ccccc1 585127181 SBAVUXPWAVUMKN-OAGGEKHMSA-N 337.441 1.536 0 40 EDAB CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)/C=C\C2CC2)C1 585128490 CKJGLXSZOJCXLT-SREVYHEPSA-N 349.431 1.291 0 40 EDAB CCCCOC(=O)c1ccc(NC(=O)NCc2nc(CO)n[nH]2)cc1 585135334 CCFJRXLIFOGNQH-UHFFFAOYSA-N 347.375 1.576 0 40 EDAB CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2ccncc2)C1 257327267 XASJNUXISIFMAH-LJQANCHMSA-N 340.427 1.576 0 40 EDAB COCC(=O)N1CCC(c2ccnc(Nc3cnccn3)n2)CC1 257293122 QOFALOQWBRVDEB-UHFFFAOYSA-N 328.376 1.363 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccnc(N3CCCC3)c2)n1 257265953 MAZRDICFEJUKLX-OAHLLOKOSA-N 341.415 1.927 0 40 EDAB Cc1cc(N)cc([C@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 257223524 DXSXBUSZBWHVLA-QGZVFWFLSA-N 326.400 1.900 0 40 EDAB Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@]2(C)C(=O)O)c(C)c1 530205465 HDQCOBMDPYTEHX-KRWDZBQOSA-N 333.388 1.891 0 40 EDAB C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1ccc(OCC(=O)O)cc1 595281611 OQUAMBYMXPHAOY-XJUBTRFSSA-N 325.386 1.132 0 40 EDAB NC(=O)c1cn(C2CN(Cc3csc(C(F)(F)F)c3)C2)nn1 606445811 YWAFAXAIHNOOAF-UHFFFAOYSA-N 331.323 1.514 0 40 EDAB CN(CC(=O)O)C(=O)c1ccc(-c2cc(C(=O)O)ccc2CO)o1 1616033408 OXXVBDXVKOLEHQ-UHFFFAOYSA-N 333.296 1.294 0 40 EDAB Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)c1 96025680 GXIBJVPAKNVRDH-UHFFFAOYSA-N 346.412 1.520 0 40 EDAB CN(C)c1nc(CNC(=O)c2ccc(F)cc2)nc(N2CCCC2)n1 575605088 HIHSZGLLMSNQCK-UHFFFAOYSA-N 344.394 1.607 0 40 EDAB CC(C)Cc1nnc(NC(=S)N[C@@]2(C)CCS(=O)(=O)C2)s1 575420372 BJBANTZLNWINPC-LBPRGKRZSA-N 348.519 1.600 0 40 EDAB O=S(=O)(NCC[C@H]1CN(CC2CCC2)Cc2ccnn21)C1CC1 585111832 COAIVDCWAMHWRG-HNNXBMFYSA-N 338.477 1.512 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1cccc(F)c1)C2 585102904 HPWMJWJGWAKTTF-CQSZACIVSA-N 327.421 1.851 0 40 EDAB COCCNC(=O)[C@H]1CN(C(=O)c2cccc(C)c2)Cc2cncn21 585095689 BWNYPSWYOMEQEX-MRXNPFEDSA-N 342.399 1.151 0 40 EDAB Cc1ccc(CN2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)cc1 585111833 HKNFPGQNFUXSDE-MRXNPFEDSA-N 334.445 1.298 0 40 EDAB O=C(NCC1CC1)[C@@H]1CO[C@@H]2CN(C(=O)Cc3ccccc3)C[C@H]21 585108395 FFWARBRFRCUDOD-GVDBMIGSSA-N 328.412 1.229 0 40 EDAB COc1cc(N2CC3(C[C@@H](COc4cccnc4)CN3C)C2)ncn1 585093835 ILPYICORTKCOHG-CQSZACIVSA-N 341.415 1.470 0 40 EDAB NS(=O)(=O)CCCCNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 585137114 JESXLTREASWVIP-NXEZZACHSA-N 345.387 1.475 0 40 EDAB Cc1cc(CNC(=O)c2ccc3nc(O)n(CCN(C)C)c3c2)no1 585141129 QBATYCMTGUIRCX-UHFFFAOYSA-N 343.387 1.530 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C 65590717 XFXIUAGZPIDJGN-HNNXBMFYSA-N 346.435 1.409 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N1c3ccccc3CC[C@H]1C)C2 69616243 MSTYVVJUHIZDKD-CYBMUJFWSA-N 325.416 1.770 0 40 EDAB CCOCCN1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 69655585 WGXXKKHZGJLQGI-HNNXBMFYSA-N 337.439 1.485 0 40 EDAB CCC[C@@H](C(=O)OCC)N1CCN(CC(=O)N2CCCCC2)CC1 70037520 BVUMYFGFRVXGHO-INIZCTEOSA-N 339.480 1.348 0 40 EDAB COC(=O)c1c(NC(=O)CN2CSCC2=O)sc2c1CCC2 89404249 WZOBYSFUQPIOMB-UHFFFAOYSA-N 340.426 1.495 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 578628696 PVAFMMVWXDHVOI-KKUMJFAQSA-N 328.478 1.839 0 40 EDAB COc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1O 8091548 UDJQVURZMATLNC-FPYGCLRLSA-N 327.134 1.686 0 40 EDAB CCn1c(SC)nnc1[C@H]1CCCN1C(=O)N1CCOCC1 5001568 MCGOIUQEONAZIM-LLVKDONJSA-N 325.438 1.609 0 40 EDAB Cc1cnc(-c2nc(O)c3c(n2)CN(C(=O)c2ccccn2)CC3)cn1 13227862 HSMLXQFYGHBVAV-UHFFFAOYSA-N 348.366 1.541 0 40 EDAB O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccccc1F 13636683 AWMQZCVBOVJEPD-CQSZACIVSA-N 334.347 1.297 0 40 EDAB COc1ccc(CC(=O)Nc2ccc(CC(N)=O)cc2)cc1OC 13715718 AARDQHULNPQMHD-UHFFFAOYSA-N 328.368 1.913 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CC)cc1C 16610193 OLEHWDNEELOWEU-ZDUSSCGKSA-N 342.461 1.929 0 40 EDAB CC(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 17128572 JPNUOCQPJZXNNP-ZDUSSCGKSA-N 342.436 1.999 0 40 EDAB O=C(Nc1nnc2n1CCS2)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 17156098 WHGFSNZUGOHVAH-SECBINFHSA-N 347.375 1.515 0 40 EDAB CN1CCN(CC(=O)Nc2c3c(nc4ccccc24)N(C)CC3)CC1 19285805 WJEZJAHQQDDWKC-UHFFFAOYSA-N 339.443 1.413 0 40 EDAB Cc1noc(-c2ccccc2OCC(=O)NCc2noc(C)n2)n1 19286112 PSMZGVROUDBXKN-UHFFFAOYSA-N 329.316 1.432 0 40 EDAB CC(C)OCC(=O)N1CCC[C@H](c2ccc(C(=O)N(C)C)cn2)C1 19706053 YMTCVCYPBLOIDI-HNNXBMFYSA-N 333.432 1.914 0 40 EDAB Cc1ccc(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 158557833 WBNLZYCYZNLFOQ-GOSISDBHSA-N 330.428 1.891 0 40 EDAB CCn1nc(C)c(S(=O)(=O)NC[C@H]2Cc3ccccc3CO2)c1C 225787297 OGRIJOOYYHMPHW-MRXNPFEDSA-N 349.456 1.940 0 40 EDAB NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 5120612 CODYQYSUJPTBFK-UHFFFAOYSA-N 336.335 1.591 0 40 EDAB Cc1cnc(N(C)[C@H]2CCCN(CC(=O)NCc3ccco3)C2)nc1 1888921735 JWWSKTUSEXRDQT-HNNXBMFYSA-N 343.431 1.595 0 40 EDAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cnn(C)c1 14937713 JJBJVVQBVVMERP-UHFFFAOYSA-N 345.790 1.972 0 40 EDAB CC(=O)Nc1ccc(CNC[C@H]([C@H]2CCOC2)N2CCOCC2)cc1 30665731 HRYYMEINVCLAHW-PKOBYXMFSA-N 347.459 1.472 0 40 EDAB CN1CCN(Cc2cnn(C)c2)C[C@H](Cc2cn3ccnc3cn2)C1 2037838615 RIQATVUWYUAFNR-OAHLLOKOSA-N 339.447 1.069 0 40 EDAB COCCN[C@@H]1CSC2(C1)CN(C(=O)c1ncnc(C)c1C)C2 2056223921 HLVSCLQILCLFPX-ZDUSSCGKSA-N 336.461 1.030 0 40 EDAB O=C(N1CC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1)C1(F)CCC1 1565546579 HMMXTOLVGGMKAX-DOMZBBRYSA-N 338.358 1.680 0 40 EDAB CN(Cc1ccccc1)C(=O)CCn1c(=O)[nH]c2ccccc2c1=O 424195 QXYJQNLQIHHFBO-UHFFFAOYSA-N 337.379 1.739 0 40 EDAB COc1ccc(C(=O)NCCc2nnc3ccc(SC)nn23)cc1 4358510 YKTWCXZOWMHQQP-UHFFFAOYSA-N 343.412 1.827 0 40 EDAB O=C(N[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1)c1cocn1 2055738973 DYRQCMTXQQFSQQ-NSHDSACASA-N 344.371 1.622 0 40 EDAB O=C(NCC(F)(F)F)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055772542 SEJDWABQWAZMBQ-VIFPVBQESA-N 344.337 1.406 0 40 EDAB Cc1cnn(CCN2CCN(c3cc(C)nc(N(C)C)n3)CC2)c1 2086884314 ACSYZRXGCSLWSA-UHFFFAOYSA-N 329.452 1.178 0 40 EDAB Cc1nnc(NC(=O)CN2CCN(c3ccccc3F)C2=O)s1 49026171 RHHKMXZGEVCGBL-UHFFFAOYSA-N 335.364 1.866 0 40 EDAB C[C@@H](C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 97097056 RJYAMUZZZPQTOH-LLVKDONJSA-N 338.367 1.374 0 40 EDAB CC(=O)N1CCC(CNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)CC1 105314033 GKVCTFCHSRMKET-IAGOWNOFSA-N 331.416 1.202 0 40 EDAB C[C@H]1NC(C(=O)NCCc2ccsc2)=NN(c2ccccc2)C1=O 40091051 NTNAYNMHUNAUCL-GFCCVEGCSA-N 342.424 1.745 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1Cn2nc(C)nc2NC1=O 40386789 WPQNKDBXMXGAQS-SECBINFHSA-N 349.778 1.846 0 40 EDAB Cc1ccc([C@@H](CNC(=O)Cc2c(C)noc2C)N2CCOCC2)o1 40489089 OAUWKOHQRMCBPZ-MRXNPFEDSA-N 347.415 1.925 0 40 EDAB CCc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 100702689 QMJPAOQBWYNQSR-PVAVHDDUSA-N 329.396 1.940 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=S)N[C@]1(O)C(F)(F)F 138653 MOODWPVZKBDFAL-OUJBWJOFSA-N 348.346 1.636 0 40 EDAB CCCCNC(=O)CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1 36686409 RZEXVLLYUGEZEX-UHFFFAOYSA-N 343.431 1.237 0 40 EDAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NC1CCCCC1 809604 XFOXWMKHSPUKIK-UHFFFAOYSA-N 344.367 1.275 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 45744078 UWRNYSIAEMOWSF-ZDUSSCGKSA-N 341.481 1.728 0 40 EDAB Nn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O 11519486 SWLLYRKPIBUHCP-UHFFFAOYSA-N 332.429 1.651 0 40 EDAB COc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OC(F)F 2650619 NOLNXJAUUWCNGW-UHFFFAOYSA-N 328.315 1.634 0 40 EDAB COc1ccc(OC)c(NC(=O)[C@@H](CC(=O)O)NCc2ccco2)c1 236788 PEFJSHQZELBDGG-CQSZACIVSA-N 348.355 1.868 0 40 EDAB COc1ccccc1C1(CNc2nc3c(cnn3C)c(=O)[nH]2)CC1 69559386 IZJNADJIWBPOPD-UHFFFAOYSA-N 325.372 1.809 0 40 EDAB Cc1ccc(NC(=O)NC(=O)CSc2nc(N)cc(N)n2)c(C)c1 3431756 ZEPJTKKMMLGBIM-UHFFFAOYSA-N 346.416 1.698 0 40 EDAB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@H]1O 105824026 CJDRUOGAGYHKKD-HHKSUWIDSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro CN(C)c1cccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)c1 69559909 NGHSAFJWIVLKQQ-UHFFFAOYSA-N 343.431 1.534 0 40 EDAB CS(=O)(=O)c1ccc(OCCNC(=O)Nc2cccnc2)cc1 69566959 XCFKMZWCDCUZHQ-UHFFFAOYSA-N 335.385 1.686 0 40 EDAB CCS(=O)(=O)NC1CCN(C(=O)c2ccc(C(C)=O)s2)CC1 32928648 RTIILBHYTGEYRE-UHFFFAOYSA-N 344.458 1.495 0 40 EDAB NC(=O)C1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1 2626142 WHWNKFJZOVQBCX-MRXNPFEDSA-N 328.412 1.777 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCCc1cc(F)cc2c1OCOC2 41618207 AGKGGIBEBLXXGR-UHFFFAOYSA-N 347.390 1.944 0 40 EDAB CCOC(=O)/C=C1/SCC(=O)N1CCSc1nnc(C)s1 103681278 XGAXDXBMZWJHHN-UXBLZVDNSA-N 345.471 1.919 0 40 EDAB O=C([C@H]1CCC[C@]12CCN(Cc1cccnc1)C2)N1CCOCC1 108535677 OJWFSXGKBVUKID-IEBWSBKVSA-N 329.444 1.933 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 47028056 BXYURNHWOBVTIC-OAGGEKHMSA-N 336.436 1.641 0 40 EDAB O=S(=O)(c1cccs1)N1CC[C@]2(C[C@@H](n3cnnc3)CO2)C1 107226719 DCWDLRTYIXXEGX-YPMHNXCESA-N 340.430 1.134 0 40 EDAB Cc1ccc([C@H]2CCCN2C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 23112040 BHZWWVJINLTWFY-MRXNPFEDSA-N 341.411 1.976 0 40 EDAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccco1 42476213 NHNRBAKBPBBJQW-CABCVRRESA-N 333.432 1.647 0 40 EDAB COc1cc([C@H](NC(C)=O)C(C(C)=O)C(C)=O)ccc1OC(C)=O 100240758 BQOQAEHUAWHFAG-KRWDZBQOSA-N 335.356 1.592 0 40 EDAB Cc1ccc(C(=O)N2CCC3(CC(NS(C)(=O)=O)C3)C2)s1 108531856 IYHSLASWTAJESX-UHFFFAOYSA-N 328.459 1.600 0 40 EDAB CCC(CO)(CO)NC(=O)c1nc(-c2cccc3[nH]ccc23)no1 12323379 VPVQOVQFNJQUQK-UHFFFAOYSA-N 330.344 1.081 0 40 EDAB CCOCCN1CCN(CC(=O)N[C@@H](C)c2ccccc2C)CC1 69627179 CSRCUBUKAUYYRJ-KRWDZBQOSA-N 333.476 1.826 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 42512614 OCLHYQYRBKFMAJ-OLZOCXBDSA-N 330.363 1.580 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)Cn3ccnc3)CC2=O)c(F)c1 42532814 YNHSHQATODABJV-KGLIPLIRSA-N 344.390 1.888 0 40 EDAB CN(C)C(=O)CN1CCCN(C(=O)NC2CCCCCCC2)CC1 42952490 KWAHQFKAAQURMQ-UHFFFAOYSA-N 338.496 1.905 0 40 EDAB O=C(Cn1cncn1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 28313651 LESFKGNTSBLBCA-UHFFFAOYSA-N 349.416 1.091 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 106833205 ZHFUFDHKYNKXLZ-DLBZAZTESA-N 344.459 1.415 0 40 EDAB COc1ccccc1[C@H](CNC(=O)[C@@H](C)OC)NC(=O)[C@H](C)OC 107049883 VTQDBPLVAMFNLU-DYEKYZERSA-N 338.404 1.039 0 40 EDAB CC(=O)N1CCN([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 23652573 AOVOHCIYYHLSSV-JTQLQIEISA-N 334.445 1.827 0 40 EDAB COCCNC(=O)NC(=O)CN1CCCc2cc(F)c(F)cc21 26343181 PYCLZINPVKOGPU-UHFFFAOYSA-N 327.331 1.190 0 40 EDAB Cc1noc(CCNC(=O)N[C@H](c2ccccc2)c2nccn2C)n1 69744839 XOXRGLFUPRXWEP-OAHLLOKOSA-N 340.387 1.743 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NCc1ccc(F)cc1 69706106 QATIFKPRHUSFJC-ZWKOTPCHSA-N 347.434 1.917 0 40 EDAB CC(C)(C)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 12568681 VEOCOOGUVDJUQK-UHFFFAOYSA-N 342.417 1.571 0 40 EDAB CNC(=O)NC(=O)CN[C@H](C(=O)Nc1ccccc1)c1ccccc1 58158458 HWBPFWBUYDYDDE-INIZCTEOSA-N 340.383 1.412 0 40 EDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H]1CCN(C2CC2)C1 58148791 FDHZNQCUQAFIRE-VQIMIIECSA-N 343.471 1.723 0 40 EDAB Cc1cc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nc(C(C)C)n1 27545189 LZZSPQFDTJVTHD-CQSZACIVSA-N 331.464 1.698 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)NCCc3ccc(F)cc3)cnc21 44894251 LVMYPDCVHDJAFU-UHFFFAOYSA-N 343.362 1.018 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)Nc3cccc4cccnc34)cnc21 10225551 LEKRTCZSIPRHEO-UHFFFAOYSA-N 334.339 1.317 0 40 EDAB NC(=O)C1(CNC(=O)CCc2c[nH]c3ccccc23)CCOCC1 47909921 SJUYGOOPIIEMOO-UHFFFAOYSA-N 329.400 1.499 0 40 EDAB O=C1c2ccccc2C(=O)N1OCCCCNC(=O)C(F)(F)F 2182086 SJXUBICYWRESCP-UHFFFAOYSA-N 330.262 1.673 0 40 EDAB COc1cc([C@@H](C)NC(=O)Cn2cnnn2)ccc1OC1CCCC1 44952872 RVWSIGDXLGVHGI-GFCCVEGCSA-N 345.403 1.881 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@@H]1c1ccsc1 44943573 ZEVSKAMXCALYMC-CYBMUJFWSA-N 333.413 1.729 0 40 EDAB CCCCCn1c(N2CCC[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 12647608 CKTNDQOQWZCGGJ-LBPRGKRZSA-N 333.436 1.850 0 40 EDAB CCN(CC)c1ccc(C(=O)NCCNS(=O)(=O)CC)cc1 58406279 WNJALSYBFUIBTJ-UHFFFAOYSA-N 327.450 1.202 0 40 EDAB CN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2O)cc1 58417186 KCAYXNAKBZOKJB-ZIAGYGMSSA-N 341.433 1.362 0 40 EDAB O=C(CN1CCN(C(=O)c2ccccn2)CC1)NCc1ccccc1 36389668 QJBFANTYAIGFRT-UHFFFAOYSA-N 338.411 1.156 0 40 EDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCCO)nn12)CCC3 2339964 GTJSTEBQRRPXNX-UHFFFAOYSA-N 331.401 1.248 0 40 EDAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 3329640 IELRTLRGOXRXAA-SNVBAGLBSA-N 329.381 1.996 0 40 EDAB O=S(=O)(Cc1ccccc1)NCc1ccc(Cn2cncn2)cc1 48236588 KAMDWYGTVBLZKJ-UHFFFAOYSA-N 342.424 1.946 0 40 EDAB O=S(=O)(NCc1ccnc(N2CCCCC2)c1)N1CCCCC1 48279601 RUKURPLRGKOWCQ-UHFFFAOYSA-N 338.477 1.892 0 40 EDAB Cc1csc2nc(CN(C)Cc3nnc4ccccn34)cc(=O)n12 81008373 VEZYCSSUMXINHG-UHFFFAOYSA-N 340.412 1.739 0 40 EDAB O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1nccs1 12814255 WIPAWOKPOFEYCG-UHFFFAOYSA-N 347.368 1.728 0 40 EDAB COc1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1OC(F)F 48560724 CEWYSQLUMMXBHV-CQSZACIVSA-N 349.355 1.604 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)Cn1c(C2CC2)nc2ccccc21 69844946 MICGRLKVCQAVFZ-GFCCVEGCSA-N 349.456 1.805 0 40 EDAB COc1cc2c(cc1CNC[C@H]1CN(C3CC3)CCO1)O[C@H](C)C2 69843175 PAIFWKRGGDCOSZ-DYVFJYSZSA-N 332.444 1.971 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cn1ncc(=O)c2ccccc21 69897222 DMZMESXZSXERBS-IRXDYDNUSA-N 340.427 1.482 0 40 EDAB COc1ccc(C2=CCN(C(=O)CN(C)S(C)(=O)=O)CC2)cc1 49279283 JZVUGXONVJNTHM-UHFFFAOYSA-N 338.429 1.202 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)NCCc1ccccc1F 8076404 LGLHYYKZSHCVEE-UHFFFAOYSA-N 325.343 1.895 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 4179957 SLVLJBWSJIGQQU-UGUYLWEFSA-N 341.367 1.748 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69918042 ZYFOHKSVFHSYIL-MOPGFXCFSA-N 339.439 1.564 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccn(C)n1 16978439 QLKUKQBRBXAHPJ-UHFFFAOYSA-N 346.206 1.992 0 40 EDAB COc1ccc2c(CC(=O)N3C[C@@H](C)O[C@H](C)C3)cc(=O)oc2c1 65541231 URENDQBPNQUDDG-VXGBXAGGSA-N 331.368 1.980 0 40 EDAB C[C@@H](C(=O)Nc1ncccn1)N1CCCN(c2nccs2)CC1 69381981 KCIRSZXWWFQRIV-LBPRGKRZSA-N 332.433 1.472 0 40 EDAB CCn1ccnc1CN1CCN(Cc2nc(-c3ccoc3)no2)CC1 69387088 YSFASLQZEMHDJT-UHFFFAOYSA-N 342.403 1.864 0 40 EDAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCc2ccccc21 65611989 RDYMAQCOKDVCKK-HUUCEWRRSA-N 338.429 1.536 0 40 EDAB Cc1nn2c(=O)/c(=C/c3ccc(C(F)(F)F)cc3)sc2nc1=O 6662575 GIOODTMHQNBFNN-POHAHGRESA-N 339.298 1.386 0 40 EDAB CC(C)n1c(=O)n(CCO)c(=O)c2c3c(sc21)COC(C)(C)C3 6669600 GYRWDTPNRINKMG-UHFFFAOYSA-N 338.429 1.649 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 69492937 KDEGWGMVVBOBGY-WFASDCNBSA-N 346.431 1.992 0 40 EDAB CC1CCC(NS(=O)(=O)CC(=O)NCCc2ccccn2)CC1 69415494 WFCNUFMOXRFNIM-UHFFFAOYSA-N 339.461 1.238 0 40 EDAB COC(=O)C1CCN(C[C@@H](O)COc2cccc(C(C)=O)c2)CC1 6905941 NEUOVVIFNIWHCE-MRXNPFEDSA-N 335.400 1.514 0 40 EDAB CCc1cc(C(=O)OC)c(NC(=O)C[C@H]2SC(=N)NC2=O)s1 5961449 JVIXAYVAZGZMCB-MRVPVSSYSA-N 341.414 1.592 0 40 EDAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1ccc(C)c(N(C)C)c1)C2 90168878 POISITIZBNLLEL-AWEZNQCLSA-N 348.472 1.859 0 40 EDAB CCCCc1nnc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)s1 8738996 IQORTMLTGVXTDK-UHFFFAOYSA-N 345.384 1.663 0 40 EDAB Cc1noc([C@H]2COCCN2c2ncnc3c2cnn3C(C)(C)C)n1 96011358 UNBDJSUVRUVXTM-GFCCVEGCSA-N 343.391 1.851 0 40 EDAB C[C@@]1(C(=O)NC2CCN([C@@H]3CCOC3=O)CC2)CC1(Cl)Cl 89919223 UUOYNLNJZKAIEK-MFKMUULPSA-N 335.231 1.466 0 40 EDAB CN1[C@@H](Cc2ccc3c(c2)OCO3)[C@H](O)c2ccccc2S1(=O)=O 9481547 UAJMFZBNPZSMGP-SUMWQHHRSA-N 347.392 1.694 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1C[C@H](O)COCc1cccs1 71855275 RBWHEOHPLWFADE-LBPRGKRZSA-N 338.429 1.880 0 40 EDAB Cc1cc(C)n2nc(C)c(C(=O)N[C@@H](C(N)=O)c3ccccc3)c2n1 71808715 SZFFTUFVQGPUJS-OAHLLOKOSA-N 337.383 1.611 0 40 EDAB Cc1ccn(-c2cccc(C(=O)N3CCN(C[C@@H](C)O)CC3)c2)n1 71871367 HVKLELVORMMLLJ-OAHLLOKOSA-N 328.416 1.319 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 71847747 SUVYWDJYWDYGOG-CQSZACIVSA-N 347.415 1.428 0 40 EDAB CN1C[C@@H](C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CC1=O 71886322 UTYJOXBXEDJWSB-WCQYABFASA-N 336.363 1.800 0 40 EDAB O=C(c1csc(-c2nc[nH]n2)n1)N1CCCC[C@H]1Cn1cccn1 71865423 CZAMONQCZAUHRC-NSHDSACASA-N 343.416 1.820 0 40 EDAB CC(C)c1nc2n(n1)C[C@@H](NCC(=O)NCc1ccccn1)CC2 71871850 XDOAPHJXKXUZGW-AWEZNQCLSA-N 328.420 1.017 0 40 EDAB CNC(=O)c1ccc(=O)n(CC(=O)NCC2(c3ccccc3)CC2)c1 71824616 LVLMTPMMKFISGC-UHFFFAOYSA-N 339.395 1.056 0 40 EDAB CCN(CC)CCN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O 96998392 RYNHIRHMKGUQEW-SFHVURJKSA-N 347.415 1.610 0 40 EDAB C[C@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)C[C@H]1N(C)C 76050568 UTERYKJRLYJIDK-XJKSGUPXSA-N 328.416 1.195 0 40 EDAB O=C1CC(C(=O)N2CCc3ccc(Br)cc32)CC(=O)N1 72281151 YLZGXTPAIMLBTC-UHFFFAOYSA-N 337.173 1.391 0 40 EDAB CC1CCC(N2C[C@@H](C(=O)N[C@H]3CCC(=O)N(C)C3)CC2=O)CC1 72291521 UAOYNUOBZDWAQM-GQKFXUNGSA-N 335.448 1.151 0 40 EDAB 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O=C(c1n[nH]c(O)n1)N1CCc2c(Br)ccc(F)c2C1 97375736 QZIXEZQLEVEMGR-UHFFFAOYSA-N 341.140 1.610 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(CCOc3ccccc3F)C2)C1=O 84597366 AIGCWHKVRHSTNW-KRWDZBQOSA-N 335.379 1.609 0 40 EDAB NC(=O)CN1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 95350966 LHQVJJRYPYHZCY-UHFFFAOYSA-N 340.427 1.290 0 40 EDAB CN1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)cn2)C1 95402877 MIXVBNMOQBXLSD-JTQLQIEISA-N 348.266 1.464 0 40 EDAB Cc1ccc([C@H](C)NC(=O)N(C)C[C@H](O)CN2CCN(C)CC2)cc1 95411165 MFUKHGURXSAMTD-WMZOPIPTSA-N 348.491 1.306 0 40 EDAB CCOC(=O)n1nc2c(c1NC(=O)c1ccccn1)CNC2(C)C 88383886 NDVUVBDBVPIUOO-UHFFFAOYSA-N 329.360 1.873 0 40 EDAB CCc1nc(NCCN2CCS(=O)(=O)CC2)c2ccsc2n1 95975899 FXYADLBLZPQKIX-UHFFFAOYSA-N 340.474 1.396 0 40 EDAB Cc1nc(NC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Br 74240365 VSXZFFIGXPZJFK-MRVPVSSYSA-N 333.207 1.526 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)NCCCS(C)(=O)=O)c1C 60558589 BIFDNIJCOWZNDK-UHFFFAOYSA-N 335.429 1.654 0 40 EDAB CCOC(=O)c1nc(CC(=O)Nc2ccccc2C(=O)OC)no1 36360886 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COc1ccc([C@@H](CN[C@H]2CCS(=O)(=O)C2)N2CCCC2)cc1 40177479 XOGBJUAIHYRMBL-DOTOQJQBSA-N 338.473 1.609 0 40 EDAB CCOCCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225370371 ZGIJNUFNPAMXLY-UHFFFAOYSA-N 345.490 1.795 0 40 EDAB COC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@]1(C)O 239274847 ATCJCEAMUVLFLX-FFSVYQOJSA-N 336.775 1.997 0 40 EDAB Cc1occc1C(=O)N1CCOC[C@]2(CC[C@H](Cn3cncn3)O2)C1 96160505 IGBZJYJESPTDMK-PBHICJAKSA-N 346.387 1.270 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)cn1 96217158 ZWGLJVJBLSMRBC-SOUVJXGZSA-N 328.372 1.554 0 40 EDAB O=C(NCc1cccs1)[C@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1 97953806 AHIBCDAMVUACIT-NWANDNLSSA-N 344.440 1.838 0 40 EDAB Cc1nc(CN2CCn3c(Cn4cncn4)cnc3[C@H]2C)cs1 96201275 IUSHVEGIYNUFHR-LLVKDONJSA-N 329.433 1.865 0 40 EDAB O=C(NC1CC1)N1Cc2nccn2C[C@H](COc2cccnc2)C1 96188058 BQBNOMMYPKVRAR-ZDUSSCGKSA-N 327.388 1.661 0 40 EDAB Cc1nc2ccccn2c1CN1CCC[C@H]1C(=O)N1CCOCC1 95413128 XDBWMUQVLYEXMO-HNNXBMFYSA-N 328.416 1.466 0 40 EDAB O=C([C@H]1CCCO1)N1CC[C@@]2(c3ccccc3)CN(CCO)C[C@H]2C1 96083362 HVFBFULGUBJFTC-NSHGMRRFSA-N 344.455 1.260 0 40 EDAB Cc1cc(C(=O)OC[C@@H]2CC(=O)N(Cc3ccccc3)C2)nn1C 96442608 HSCQLKQFXHZNRF-OAHLLOKOSA-N 327.384 1.934 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CO[C@H]3CNc3ncccn3)C2)o1 96185387 LGIKBLTZIAGHBK-FMKPAKJESA-N 342.399 1.967 0 40 EDAB Cc1ccc(F)c(N2CCC[C@H](NS(=O)(=O)CCCF)C2=O)c1 96456127 IUVDQRGYEIHZQC-ZDUSSCGKSA-N 346.399 1.909 0 40 EDAB Cc1ccc2nc(NC(=O)CNC(=O)c3ccn(C)n3)sc2c1 96192633 BGUIGIGJVYCFHX-UHFFFAOYSA-N 329.385 1.707 0 40 EDAB CC(C)Nc1nc2c(c(NC3CC3)n1)CCN(S(C)(=O)=O)CC2 96083827 HHNJVPUPKMSYLZ-UHFFFAOYSA-N 339.465 1.231 0 40 EDAB CN(C)C[C@H]1CCN(C(=O)NCc2cnn(-c3ccccc3)c2)C1 97101605 AUWBHJNCTIQYNS-OAHLLOKOSA-N 327.432 1.965 0 40 EDAB O=C(NCc1ccco1)[C@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21 96040753 CZFIHSQTLJBMFV-OIISXLGYSA-N 330.384 1.883 0 40 EDAB Cn1cc(N2CC[C@@]3(CCCN(C(=O)c4ccco4)C3)C2=O)cn1 96224647 OEEQYSMRNBPKAS-QGZVFWFLSA-N 328.372 1.672 0 40 EDAB C[C@](O)(CNC(=O)NC1CCN(CC(F)F)CC1)c1ccccc1 95397254 HGQPRFGWSZBMRJ-KRWDZBQOSA-N 341.402 1.923 0 40 EDAB Cc1noc(C)c1C(=O)NC[C@@H]1OCCc2cn(CC3CC3)nc21 96044373 MREUTIRREZHZLV-AWEZNQCLSA-N 330.388 1.942 0 40 EDAB CN(C)C(=O)NC[C@]12COC[C@H]1CN(Cc1ccc3c(c1)OCO3)C2 96108296 FZPFJNPSYDZOKI-KDOFPFPSSA-N 347.415 1.135 0 40 EDAB CCOc1cc([C@H](N)c2n[nH]c(-c3cnccn3)n2)ccc1OC 95534394 WKAMOPJQCVCXLY-AWEZNQCLSA-N 326.360 1.717 0 40 EDAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccn(C)n1 330033487 AHHJMPLTZCKJFK-HOCLYGCPSA-N 346.456 1.725 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCc2nc(N3CCCC3)nc(N(C)C)c2C1 96253994 UVLMMARWGAEGAA-OLZOCXBDSA-N 329.448 1.684 0 40 EDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(Cl)c1 96193153 IRKPZSCKLWGQBJ-UHFFFAOYSA-N 348.852 1.885 0 40 EDAB CN(C)C[C@H]1CC[C@]2(COCCN(Cc3ccc4c(c3)OCO4)C2)O1 248125016 OJPUKMKVQWLMGV-APWZRJJASA-N 348.443 1.727 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 242548478 LMTPREMMWVSIDW-OUCADQQQSA-N 331.821 1.359 0 40 EDAB 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CNc1cccc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257261373 LHAIBULDNDAQRT-HNNXBMFYSA-N 329.404 1.618 0 40 EDAB C[C@@H](N1CCN(c2cncc(-n3cccn3)n2)CC1)C(F)(F)F 267222387 OEBWHFPVPHVMIM-LLVKDONJSA-N 326.326 1.735 0 40 EDAB O=C(C1CCNCC1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 585269460 VIVJQESSFBSKNA-GOSISDBHSA-N 336.407 1.558 0 40 EDAB CC(C)CN1C[C@@H]2C(=O)NC3(CCN(c4cnccn4)CC3)[C@H]2C1 585106229 XVCDTTUTHQCDPO-GJZGRUSLSA-N 329.448 1.149 0 40 EDAB C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1C(=O)[C@@H]1C[C@H]1C 585096282 FKAWGASJLNFMKQ-MBNYWOFBSA-N 342.399 1.965 0 40 EDAB Cn1ccc(CCNC(=O)N2CCO[C@H](c3ccccc3F)C2)n1 680630648 SUTPUZCUMVMUFB-INIZCTEOSA-N 332.379 1.885 0 40 EDAB O=C(CN1CCC[C@@H]1C(=O)NCC(F)(F)F)NCc1ccco1 54990887 QQXIBVDJOKWWPF-LLVKDONJSA-N 333.310 1.039 0 40 EDAB CNC(=O)c1n[nH]c(C2CCN(C(=O)[C@H]3C[C@@H]3C3CCC3)CC2)n1 1549115781 YXFJUQJOYLDZHT-OLZOCXBDSA-N 331.420 1.307 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccc(Cn3cncn3)cc1)C2 69490377 JVUHJMQEANSSDN-UHFFFAOYSA-N 337.387 1.136 0 40 EDAB O=C(/C=C/c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)NO 72317456 MGTIFSBCGGAZDB-VQHVLOKHSA-N 344.392 1.957 0 40 EDAB CC(C)(O)CC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615122874 RCMFCMMONNFTAC-UHFFFAOYSA-N 346.427 1.572 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H](O)C(=O)O)CC1 1600426512 MABOJLSOMSZSAT-CYBMUJFWSA-N 347.820 1.495 0 40 EDAB Cc1cc2c(o1)c1cnn(CC(=O)NCc3ccco3)c(=O)c1n2C 12183555 YUQRHLKOADQXFC-UHFFFAOYSA-N 340.339 1.699 0 40 EDAB O=C(Nn1cnnc1)c1cccc(NC(=O)C(Cl)(Cl)Cl)c1 14405919 GJEMCQKHOIGFJQ-UHFFFAOYSA-N 348.577 1.971 0 40 EDAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2nccs2)C1=O 14856825 LZLJFWAGCCRSLV-HNNXBMFYSA-N 348.359 1.688 0 40 EDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccncc1 206734599 VYLAZKMRJAOLBH-UHFFFAOYSA-N 328.376 1.027 0 40 EDAB CCc1nc(CCNS(=O)(=O)c2cccc(C(=O)O)c2)cs1 563076264 PKQGSMDMEBQAND-UHFFFAOYSA-N 340.426 1.925 0 40 EDAB COCCN1C(=O)CN(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)C1=O 253409234 ZUZQNWSFELNFFM-AWEZNQCLSA-N 349.431 1.244 0 40 EDAB O=S(=O)(O)c1ccc(Oc2ccc(S(=O)(=O)O)cc2)cc1 34089747 DHYWARJRVIRXOY-UHFFFAOYSA-N 330.339 1.972 0 40 EDAB Cc1ccc(NCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c(Cl)c1 12917170 XUSKQYDEIAECKC-UHFFFAOYSA-N 348.790 1.710 0 40 EDAB Cc1csc(CNC(=O)CCn2cnc3sccc3c2=O)n1 21483392 GHXRTFQYSFSLHA-UHFFFAOYSA-N 334.426 1.929 0 40 EDAB CCN(C)C(=O)c1cnn2c1CN(C(=O)CC1(O)CCC1)CCC2 1565546265 XSKMQURVRJTWKT-UHFFFAOYSA-N 334.420 1.012 0 40 EDAB CS(=O)(=O)CCC(=O)N1CCn2c(-c3cccs3)cnc2C1 1565555952 KFOKRJNSGPDBPG-UHFFFAOYSA-N 339.442 1.389 0 40 EDAB CC(C)CN1C(=O)N[C@@](NC(=O)c2cccs2)(C(F)(F)F)C1=O 2492032 LKNPXWGRIQWFQI-GFCCVEGCSA-N 349.334 1.944 0 40 EDAB O=C(NCCc1ccccc1)NCc1nnnn1-c1cccc(F)c1 9615918 HRJTYDCAJRPVOY-UHFFFAOYSA-N 340.362 1.843 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NC[C@@H]1COc2ccccc21 342627866 HAOZUBPBAKDJLH-CYBMUJFWSA-N 335.363 1.689 0 40 EDAB COC(=O)CS(=O)(=O)Nc1ccc(N2CCC(OC)CC2)cc1 96122404 LTRGKVHUMLGQID-UHFFFAOYSA-N 342.417 1.217 0 40 EDAB COc1ncccc1CNC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 50077934 VXPRPCLVUXYCFV-UHFFFAOYSA-N 341.371 1.602 0 40 EDAB O=C(CSc1nnnn1Cc1ccco1)NC(=O)C1CCCCC1 11308386 GMXQBFZQVXUSAH-UHFFFAOYSA-N 349.416 1.630 0 40 EDAB CCN1C[C@@H](C(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1=O 40506225 OEKULQQJLUJYIY-AWEZNQCLSA-N 332.400 1.457 0 40 EDAB C[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N1C[C@@H](C)O[C@H](C)C1 40512344 DWUVWVNBHNXRMS-YNEHKIRRSA-N 344.415 1.151 0 40 EDAB O=C(OC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 11598917 FEMQUSRSPRPAPZ-OCCSQVGLSA-N 347.367 1.533 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CCO1 40510945 ZJYAYNJMEKEVIQ-QMMMGPOBSA-N 346.792 1.080 0 40 EDAB Cn1cc([C@H]2[C@H](C(=O)O)CC(=O)N2CCOc2ccccc2)cn1 69567471 UDUKGODZFNTHIU-ZBFHGGJFSA-N 329.356 1.473 0 40 EDAB CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)C2(O)CCCC2)c1C 51177430 UGWWETPUCBULIO-UHFFFAOYSA-N 337.372 1.839 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 3060596 NDFKSWIMADZBJX-UHFFFAOYSA-N 338.816 1.935 0 40 EDAB CCOc1ccc(NC(=O)N2CCO[C@H](C(N)=O)C2)cc1Cl 51616063 ZJFUKQILOFPBMA-LBPRGKRZSA-N 327.768 1.457 0 40 EDAB CCCOc1cccc(C(=O)NC(=S)Nc2nnnn2CCC)c1 6462639 QHAMZVNILXOYON-UHFFFAOYSA-N 348.432 1.999 0 40 EDAB CCn1ccnc1CN1CCN([C@H](C)C(=O)Nc2cc(C)no2)CC1 69534269 ANANWIPRBUXZFW-CQSZACIVSA-N 346.435 1.344 0 40 EDAB CCCn1c(=O)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c1=O 20756679 ZNEUPOJCTFXOHN-HNNXBMFYSA-N 340.383 1.369 0 40 EDAB biogenic COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(F)c(F)c2)C1 57320228 BRJNUSMJPYGKQV-YPMHNXCESA-N 340.370 1.968 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N(C)CCc1ccc(Br)cc1 69586592 ULEXKCYXNXVJEC-JTQLQIEISA-N 342.237 1.768 0 40 EDAB O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)c1ccccn1 69599590 TXPJIOJUSSODHZ-UHFFFAOYSA-N 328.376 1.328 0 40 EDAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)cc1 60348841 VRWMMNBBLMQNQI-CQSZACIVSA-N 327.402 1.611 0 40 EDAB CCOc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(=C(C)C)NN32)cc1 10152853 CYMRQXZYOJIXNP-CYBMUJFWSA-N 343.387 1.340 0 40 EDAB CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cn1 21143642 CQXQXWHWIFYECD-GFCCVEGCSA-N 328.372 1.728 0 40 EDAB CN1CCN(C(=S)SCC(=O)Nc2ccc(Cl)cn2)CC1 32692385 UFCUYXZHYYLAFS-UHFFFAOYSA-N 344.893 1.939 0 40 EDAB CCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cccc(C)c21 8843708 XOFSDDZOKWRDBA-INIZCTEOSA-N 346.412 1.517 0 40 EDAB COc1cccc(CN2CC[C@@H](N(C)Cc3nnc(C)n3C)C2)c1 89736041 HSMDCMHNYJIHPG-MRXNPFEDSA-N 329.448 1.838 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1cccc(F)c1 32903631 FZQIMTLESDFTBU-KRWDZBQOSA-N 342.370 1.904 0 40 EDAB CCO[C@@H](C)c1noc(CN2CCN(C(=O)c3ccon3)CC2)n1 81172787 PWRPRYAKGQFYKK-NSHDSACASA-N 335.364 1.113 0 40 EDAB NC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 102956008 ZVMDLEBDGMNXPD-ZIAGYGMSSA-N 343.383 1.289 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N1CCN(C/C=C/c2ccccc2)CC1 22038234 XSJQAXZNJJLHST-PPYMECGQSA-N 330.432 1.162 0 40 EDAB Cc1noc(C)c1CCC(=O)NCc1cccnc1-n1cncn1 47121989 SPTGXURIIPKUDP-UHFFFAOYSA-N 326.360 1.516 0 40 EDAB O=C(c1nccn2ccnc12)N1CCCN(c2nccs2)CC1 89884734 RLKLQEBACXCUFV-UHFFFAOYSA-N 328.401 1.538 0 40 EDAB CNC(=O)C1CCN(C(=O)CCc2cc(OC)cc(OC)c2)CC1 23180806 QQHULKNVBZKBJH-UHFFFAOYSA-N 334.416 1.621 0 40 EDAB Cc1sc2nc(CCCSc3nnnn3C)[nH]c(=O)c2c1C 12569037 CJEHVHFJHYECHD-UHFFFAOYSA-N 336.446 1.850 0 40 EDAB Fc1ccc(CN2CCOC[C@]3(C[C@@H](Cn4cnnc4)CO3)C2)cc1 107243834 IRVKFJCUNIBEPQ-WMZOPIPTSA-N 346.406 1.725 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1cn2ccsc2n1 12529457 ADHSEEXNDHVQQE-CQSZACIVSA-N 340.408 1.377 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)Cc2nc3nc(C)cc(C)n3n2)C12CCC2 89985709 UPXBTMHNOAAQAL-KBPBESRZSA-N 343.431 1.748 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N(C)Cc2cnn(C)c2)C1=O 24478466 PVUMRUVKNUKFGG-ZDUSSCGKSA-N 342.399 1.583 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1 24665154 LUHGAAMXAWCAGW-NWDGAFQWSA-N 330.388 1.851 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCc2nc(C)cs2)c1 43273129 ZGOMDJQPTSMWCZ-UHFFFAOYSA-N 326.399 1.717 0 40 EDAB CCCCNC(=O)CN1CCN(Cc2cn3ccccc3n2)CC1 24971639 DEHRZBZFRSZSGF-UHFFFAOYSA-N 329.448 1.368 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C)C[C@@H]1c1ccccc1 25909928 DCPIDSYBWXFDKY-OAHLLOKOSA-N 335.429 1.969 0 40 EDAB COc1ccc(C)cc1C1(CNC(=O)CCNC(C)=O)CCOCC1 57002308 VCKVKIMQJFTUDH-UHFFFAOYSA-N 348.443 1.694 0 40 EDAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ccccc2)CC1 57389694 ZIEJYNNNHQNCNF-AWEZNQCLSA-N 332.448 1.821 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)Nc1nonc1C(=O)N1CCCC1 58009516 SIVAHDSCXZOJGM-UHFFFAOYSA-N 339.355 1.968 0 40 EDAB COc1ccc([C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)C)cc1 58023271 NEPFOWHYRJTDQK-OAHLLOKOSA-N 347.415 1.839 0 40 EDAB CCOc1ccc(CN2CCN(c3cc(C(N)=O)ccn3)CC2)cc1 58293347 RWJGGYOUDOXBMI-UHFFFAOYSA-N 340.427 1.901 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Nc1cccc(COCCOC(C)C)c1 58283083 RFGUMLPKCDNAQY-ZDUSSCGKSA-N 337.420 1.884 0 40 EDAB Cn1c(C(=O)NCCCNS(C)(=O)=O)cc(Cl)c1Cl 44915025 CBCFAHCIAHHULV-UHFFFAOYSA-N 328.221 1.001 0 40 EDAB C[C@@H](OCCCNS(=O)(=O)N1CCOCC1)c1ccccc1 44936079 TUXGFXIWVIJDGH-CQSZACIVSA-N 328.434 1.321 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1 44938892 WHXMECSCHMKIOS-UHFFFAOYSA-N 344.440 1.490 0 40 EDAB COc1ccc(C(C)=O)cc1Cn1c(-c2cnccn2)noc1=O 58329739 GMYFUNRMGUNIFS-UHFFFAOYSA-N 326.312 1.553 0 40 EDAB CCOc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)cc1 45285441 UOSNOHDTJSYMSS-HNNXBMFYSA-N 334.416 1.539 0 40 EDAB C[C@H](O)CNC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 2346950 PBYBAFZVYSGKSY-QMMMGPOBSA-N 331.401 1.328 0 40 EDAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(O)nn1 28697107 XSUPPKMVJUFFIF-UHFFFAOYSA-N 335.747 1.579 0 40 EDAB CCCCN1C(=O)C(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O 48251956 SSTGEXWYWRGIJM-UHFFFAOYSA-N 327.344 1.358 0 40 EDAB O=c1cc(CN(CCO)C2CC2)nc2ccc(Br)cn12 48347486 OLTLFFIGJDVPTE-UHFFFAOYSA-N 338.205 1.414 0 40 EDAB COc1ccc(C(=O)NCCNc2ncccn2)cc1OC(F)F 48356234 NFHSHOGURHIANV-UHFFFAOYSA-N 338.314 1.929 0 40 EDAB CCOc1ccc(OC[C@@H](O)Cn2cnc3ncccc3c2=O)cc1 12814321 VEFSRLGRLRENMA-ZDUSSCGKSA-N 341.367 1.630 0 40 EDAB O=S1(=O)CC[C@H](NC(=S)SCCOc2ccccc2)C1 3904416 UEXGFLKRTHATNV-NSHDSACASA-N 331.484 1.860 0 40 EDAB CC(C)N1C(=O)C(=O)N(CC(=O)N(C)[C@H](C)c2ccccc2)C1=O 8363215 JQLUCBVAXBIENE-GFCCVEGCSA-N 331.372 1.405 0 40 EDAB O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(c2ncccn2)CC1 17071845 FKTTVMUTXAEHHI-NEXFUWMNSA-N 344.415 1.262 0 40 EDAB Nc1nc2ccccc2nc1NCCc1ccc(S(N)(=O)=O)cc1 69493947 VMFMISLNMLORTO-UHFFFAOYSA-N 343.412 1.514 0 40 EDAB CC(C)(C)NC(=O)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 13734322 DMMBWJDBLKBJJN-LLVKDONJSA-N 339.461 1.650 0 40 EDAB Cn1nccc1COc1ccc(S(=O)(=O)N2CCOCC2)cc1 91578498 MWYRYNKIIIEPPC-UHFFFAOYSA-N 337.401 1.020 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1F 13849646 KRWGDZQSPNUXIZ-UHFFFAOYSA-N 338.360 1.663 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)N(C)Cc1ccco1 69709064 FIFJLNFOMDUYKP-DLBZAZTESA-N 333.432 1.713 0 40 EDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C2CCOCC2)C1=O 65494899 DYMCXFJZLBELTN-SFHVURJKSA-N 345.399 1.388 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 14083657 VVSXVXYBGJOVLA-UHFFFAOYSA-N 333.432 1.982 0 40 EDAB O=C1CCc2cc(S(=O)(=O)NC3CCN(C4CC4)CC3)ccc2N1 14102484 REEJPYGAFIZPER-UHFFFAOYSA-N 349.456 1.476 0 40 EDAB COc1ccc2c(C)c(CC(=O)N3CCOCC3)c(=O)oc2c1C 4540647 JXWKRXFQOOXQDK-UHFFFAOYSA-N 331.368 1.820 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1ccc(OCCN(C)C)cc1 65604843 FTYHWXCPUTWUML-UHFFFAOYSA-N 330.432 1.907 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 69969821 YSCOUJLEVAZPAV-LJQANCHMSA-N 346.471 1.259 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)N(Cc2ccccc2)C2CC2)C1=O 66082913 RPEYIQOAJHIZQK-GOSISDBHSA-N 345.399 1.135 0 40 EDAB COc1ccc(O)c(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 4983051 DOWSTFGLJBOLAN-UHFFFAOYSA-N 345.307 1.925 0 40 EDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)c1 71283318 VAUSJLINPGNTHL-VXGBXAGGSA-N 349.339 1.555 0 40 EDAB CC(C)COCCCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 15364539 WMHBIONJDOREAB-UHFFFAOYSA-N 340.445 1.912 0 40 EDAB O=C1[C@@H](NS(=O)(=O)c2cc(F)ccc2F)CN1c1ccccc1 96008912 RONFSKASVXENEL-ZDUSSCGKSA-N 338.335 1.659 0 40 EDAB CCOCCCNC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 409125040 MFHXESIOMZTGGA-UHFFFAOYSA-N 344.433 1.004 0 40 EDAB Cc1nnc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)nc2)n1C 96007731 YKANNOSLNTWAIJ-UHFFFAOYSA-N 349.338 1.358 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 78602980 IOMGKCDDVCGKIQ-ZDUSSCGKSA-N 341.477 1.061 0 40 EDAB CNC(=O)NC(=O)CCSc1nnc(C2CC2)n1Cc1ccco1 71848465 JINWNXAURDENLW-UHFFFAOYSA-N 349.416 1.735 0 40 EDAB Cc1ccc(OC[C@H](O)CN[C@@H]2CCCN(c3cccnn3)C2)cc1 71859684 PWNYCYUTHGOXCI-IAGOWNOFSA-N 342.443 1.783 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2C2CC2)C1 71815201 ZSPVEPZJSIRTAZ-HNNXBMFYSA-N 338.411 1.756 0 40 EDAB Cc1nc(CN2CCCN(Cc3nc(-c4ccco4)no3)CC2)no1 71871617 ZXIWZMNLUKAEPR-UHFFFAOYSA-N 344.375 1.729 0 40 EDAB CNC(=O)CN1CCN(C(=O)c2ccc(CSC(F)F)o2)CC1 71812635 RVMIHTWLXHXFPD-UHFFFAOYSA-N 347.387 1.239 0 40 EDAB Cc1ccc(N2CC[C@@H](C(=O)N[C@H]3CCc4nccn4C3)C2=O)cc1 72278696 NQKAZSXSUQALNP-HOCLYGCPSA-N 338.411 1.676 0 40 EDAB O=C(NCC[S@@](=O)Cc1ccccc1)C(=O)Nc1cccc(F)c1 72287035 LJMDYUUZLGJPAT-DEOSSOPVSA-N 348.399 1.829 0 40 EDAB NC(=O)c1ccc(NC(=O)CCN2CCC[C@@H](N3CCCC3)C2)cc1 72293946 BBTPLYYHJBIUQY-QGZVFWFLSA-N 344.459 1.674 0 40 EDAB CCN1C[C@@H](C(=O)N2CCCC[C@H]2Cn2nc(C)cc2C)CC1=O 72279950 QYUVZDBKTXUYDT-HOTGVXAUSA-N 332.448 1.749 0 40 EDAB COc1cccc2c1OC[C@@H](C(=O)N1CCc3nnc(N)cc3C1)C2 72279507 SGYIIOSQGYPUNQ-ZDUSSCGKSA-N 340.383 1.203 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3cc2N)CC1 97019099 QINOVFXIWAZHCE-UHFFFAOYSA-N 347.440 1.530 0 40 EDAB COC(=O)[C@H]1CN([C@@H]2CCN(CCc3ccccc3)C2)C[C@@H](C)O1 97048663 NTABEDSGULEJOL-KBAYOESNSA-N 332.444 1.566 0 40 EDAB CC(=O)N1CCN(C(=O)Nc2cccc(N(C)C(C)=O)c2)[C@H](C)C1 84714999 IXAAHZHUFWHFPP-GFCCVEGCSA-N 332.404 1.754 0 40 EDAB C[C@@H](C(=O)NCC1([C@@H](O)c2ccccc2)CC1)N1CCN(C)CC1 95434567 JOUYLGMJPSREAF-RDJZCZTQSA-N 331.460 1.252 0 40 EDAB O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(CN2CCC(CO)CC2)cc1 95450582 FSGDUIBXDCGJDL-OALUTQOASA-N 346.471 1.924 0 40 EDAB O=C(CCCn1ccnn1)N1CCN(Cc2ccccc2F)CC1 95455440 GOIRDFDBVPPMIL-UHFFFAOYSA-N 331.395 1.542 0 40 EDAB CC[C@H](NC(=O)[C@@H]1CCOC1)[C@H]1CN(Cc2ccccc2)CCO1 95415799 SSUURTWVCQFRBI-FGTMMUONSA-N 332.444 1.819 0 40 EDAB C[C@@H](NC(=O)[C@@H](c1ccccc1)n1cnnn1)c1nnc2ccccn12 95472117 SBFOLDKBSDYXGN-IUODEOHRSA-N 348.370 1.183 0 40 EDAB CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)NC[C@@H]1CCCO1 95433488 BADALPQBKUQHTN-KGLIPLIRSA-N 340.445 1.717 0 40 EDAB O=c1ccc(C(F)(F)F)nn1CCS(=O)(=O)c1ccccc1 95437115 NCDSUWKHHLBXEA-UHFFFAOYSA-N 332.303 1.736 0 40 EDAB O=C(CO)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 95983376 SVSWGRFIWQWHML-UHFFFAOYSA-N 339.439 1.982 0 40 EDAB c1ccc2c(c1)C[C@H]2CNC1CCN(CCN2CCOCC2)CC1 95967676 RGJYMAYLYUYGQS-SFHVURJKSA-N 329.488 1.713 0 40 EDAB O=C(COC(=O)[C@H]1COCCO1)c1ccccc1Br 95949351 PGDVZTMEWJGCJG-GFCCVEGCSA-N 329.146 1.590 0 40 EDAB C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)N1CCc2ccccc2C1 75132902 SLMXYIYSVRJNMM-XJKSGUPXSA-N 325.416 1.156 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)NCC(C)C)ccc1OCC 408696896 FVURMWIOMBZKGU-UHFFFAOYSA-N 328.434 1.769 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 306123976 BCARQBMMIADORU-KWCYVHTRSA-N 327.446 1.085 0 40 EDAB COCc1cc(=O)n(CC(=O)NC2CCCCC2)c(N2CCCC2)n1 67256819 JKRXDVLZVCFYMH-UHFFFAOYSA-N 348.447 1.439 0 40 EDAB CNC(=O)c1ccc(OCc2ccc(S(=O)(=O)N(C)C)o2)cc1 36367078 HSXUHNYDVLOEKP-UHFFFAOYSA-N 338.385 1.469 0 40 EDAB O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](O)Cc1ccccc1 2561150 AJVFRMRGYXQCPD-HOTGVXAUSA-N 329.352 1.108 0 40 EDAB biogenic CCn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)cn1 72237881 VIUSETKJNCTWOV-CVEARBPZSA-N 328.372 1.440 0 40 EDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3Cc4[nH]cnc4CN3C2=O)cc1 77261586 ZUDPHMWMLZLBMG-AWEZNQCLSA-N 340.339 1.480 0 40 EDAB biogenic,in-vitro O=S(=O)(c1cnccc1OCc1ccccc1)N1CCNCC1 72210660 KQFWKSMGXCEGGP-UHFFFAOYSA-N 333.413 1.255 0 40 EDAB CC(=O)NC1CN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 189960890 MUOXLJQANWXUQM-SFHVURJKSA-N 344.459 1.662 0 40 EDAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCO 217460390 JUKDKNOUPPYHJI-UHFFFAOYSA-N 330.406 1.258 0 40 EDAB COc1ccc([C@@H]2NNC(=O)[C@@H]2NC(=O)c2ccc(C)cc2)cc1 214340904 OMVHALIIOIIPHO-JKSUJKDBSA-N 325.368 1.478 0 40 EDAB CC(C)(C)OC(=O)C[C@H]1NC[C@@H](C(=O)O)[C@@H]1OCc1ccccc1 79670608 ZOLUXBKIYDQMJQ-FMKPAKJESA-N 335.400 1.976 0 40 EDAB C[C@](NC(=O)c1ccc(C(=O)O)cn1)(C(N)=O)c1cccc(Cl)c1 562406024 GZJJZFBPMMKUAJ-MRXNPFEDSA-N 347.758 1.564 0 40 EDAB CCOC(=O)C1(C(=O)OCC)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 217987351 WDSSUWFEYNOELG-ZDUSSCGKSA-N 340.397 1.654 0 40 EDAB C[C@@]1(C(=O)NCCCn2ccnc2)Oc2ccc(Cl)cc2NC1=O 41550192 DGSGMVXKOGJYFR-INIZCTEOSA-N 348.790 1.833 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 570403266 MFLIZBOROUXPGV-GFCCVEGCSA-N 338.385 1.255 0 40 EDAB O=C1N[C@]2(CCOC2)C(=O)N1Cc1cccc(Br)c1 89774413 IPOWXGOJLWKVDC-ZDUSSCGKSA-N 325.162 1.660 0 40 EDAB O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1cc[nH]n1 47987785 VTPADKUMYOKHLW-JLHYYAGUSA-N 342.380 1.876 0 40 EDAB CCc1n[nH]c(NC(=O)C2CCN(C(=O)[C@@H](C)CSC)CC2)n1 225666770 QOBSXWPDCQPRDY-JTQLQIEISA-N 339.465 1.543 0 40 EDAB CC(C)[C@H]1CN([C@@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CCO1 571887310 CINFIPRTGHTGIE-XJKSGUPXSA-N 334.416 1.746 0 40 EDAB O=C([C@H]1OCCc2ccccc21)N1CCO[C@H](Cn2cccn2)C1 133102168 HNDKDGHXYAIUOJ-RDJZCZTQSA-N 327.384 1.425 0 40 EDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NC1CCCCC1 225880674 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O=C(NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccco1 100193095 LYCCSINVAQPIEZ-RYUDHWBXSA-N 343.408 1.575 0 40 EDAB O=C(O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 40283633 TWHUTHKWMPBAMT-CQSZACIVSA-N 334.763 1.805 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)n1nnc(-c2ccc(Cl)cc2)n1 31653341 CSXHJZQEUXFBFA-MRVPVSSYSA-N 345.798 1.436 0 40 EDAB O=C(CNC(=O)c1cccc(Cl)c1)NCCC(=O)N1CCCC1 7990515 VXWLSBOMPFNLPG-UHFFFAOYSA-N 337.807 1.199 0 40 EDAB CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1ccccc1)C(N)=O 1643529 TUOBGXZCQZDHJZ-CQSZACIVSA-N 349.431 1.965 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccc(F)c2)s1 45856890 DZPUYDPZDVTQFL-UHFFFAOYSA-N 342.417 1.436 0 40 EDAB CCCCNC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1 4851348 NYLPBGOEGYFVEG-UHFFFAOYSA-N 344.419 1.093 0 40 EDAB CCc1n[nH]c(SCC(=O)NCC(=O)Nc2c(C)cccc2C)n1 11715215 VOBZGHMFGATBEG-UHFFFAOYSA-N 347.444 1.831 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(Cc2noc(-c3ccoc3)n2)C1=O 69582033 IXSCEGMTOMEFBZ-HNNXBMFYSA-N 328.284 1.890 0 40 EDAB O=C(CNC(=O)Nc1ccc(-n2nccn2)cc1)NC1CCCCC1 58624994 AEBLDNIMDVWFNC-UHFFFAOYSA-N 342.403 1.838 0 40 EDAB COc1ccc(CC2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 75572990 ONDXKMUZZPXFGR-IAGOWNOFSA-N 339.457 1.108 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(C(=O)c2cnccn2)CC1 71903551 DINDJEJNULSAFA-ZBFHGGJFSA-N 346.431 1.356 0 40 EDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCC2(C1)OCCO2 71920326 JLVOUBAQWTUIBN-AWEZNQCLSA-N 335.404 1.575 0 40 EDAB O=C1CCCN1c1cccc(OCC(=O)N2CCO[C@@H]3CCC[C@H]32)c1 53379964 ZRSFWKQBWHYSSJ-IAGOWNOFSA-N 344.411 1.972 0 40 EDAB CC(C)c1nnc(NC(=O)CSc2nc(O)cc(=O)[nH]2)s1 9667802 JVLMYJLFPAXBNX-UHFFFAOYSA-N 327.391 1.181 0 40 EDAB CCNC(=O)CN(CC)C(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 54678144 SAEDKEONZLGOQI-INIZCTEOSA-N 333.432 1.547 0 40 EDAB Cc1occc1C(=O)NCCCN1CCN(c2ncccn2)CC1 23895096 DQZYWNXCDGYGPG-UHFFFAOYSA-N 329.404 1.320 0 40 EDAB Cc1cc(O)ccc1NC(=O)CCc1c(C)nc2ncnn2c1O 12321318 BNOAYNZIIYCMEV-UHFFFAOYSA-N 327.344 1.724 0 40 EDAB C[C@H]1C[C@H](NC(=O)NCc2nccn2C)C(=O)N1c1ccccc1 76088151 LFJRQEYATPUMAV-JSGCOSHPSA-N 327.388 1.413 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)NCCn3ccnc3)cn2)CCO1 43310959 ATVMWKCXJDHJRS-AWEZNQCLSA-N 344.419 1.003 0 40 EDAB CNC(=O)c1ccc(C)c(NC(=O)c2cccc(OCC(N)=O)c2)c1 24923314 XBJCOLMNWXRIEJ-UHFFFAOYSA-N 341.367 1.471 0 40 EDAB Cc1ccc(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 47323775 GWVYETAAKZYTPT-CYBMUJFWSA-N 325.434 1.788 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)Cn2c(=O)n(C)c3ccccc32)no1 76043220 NMGWHATZPWOEIP-CQSZACIVSA-N 341.371 1.395 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1nnc(C2CC2)s1 61718309 KZMKHBCQCYJJOU-UHFFFAOYSA-N 331.401 1.490 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCC(c3nnc4n3CCC4)CC2)n1 57145284 BOSKHRMTFFMZNT-UHFFFAOYSA-N 328.420 1.444 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)c3ccc(C)nc3)cn2)CC1 57678206 RQQHGALEJYEJMB-UHFFFAOYSA-N 339.443 1.857 0 40 EDAB Cn1cc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc(Br)c1=O 110676689 IHDGEFNSZCLTSX-FXPVBKGRSA-N 327.178 1.654 0 40 EDAB COc1ccccc1[C@@H](O)CNC(=O)CN(C)Cc1ccccc1 58245287 JQYYYSRROXGLLE-KRWDZBQOSA-N 328.412 1.977 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CN1C(=O)C[C@]2(CCSC2)C1=O 58294908 HCXDSTQNHQYOIK-KDOFPFPSSA-N 349.452 1.925 0 40 EDAB COc1ncccc1CNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O 44979758 HCFYYPIIELRKSZ-KRWDZBQOSA-N 339.395 1.680 0 40 EDAB C[C@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)c1cccnc1 44951366 GEHSCAVXHVSBMM-AWEZNQCLSA-N 341.415 1.874 0 40 EDAB C[C@@H]1CN(CCNC(=O)NCCc2cn3ccccc3n2)C[C@@H](C)O1 44953482 JYFUGOQQLHFLPU-HUUCEWRRSA-N 345.447 1.285 0 40 EDAB CN(CCOc1ccc(S(N)(=O)=O)cc1)C1Cc2ccccc2C1 58356037 DEXFQYNJXLPYOS-UHFFFAOYSA-N 346.452 1.812 0 40 EDAB CCC(=O)N[C@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 58324401 KCSHCVAJCGGYIS-ZDUSSCGKSA-N 328.416 1.456 0 40 EDAB CN1CCc2nc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)sc2C1 27989508 VXPZWVGREVPTOQ-CYBMUJFWSA-N 343.408 1.851 0 40 EDAB CCCCN(C(=O)NCc1ccn(C)c1)[C@H]1CCS(=O)(=O)C1 91226276 GLSLGHCLXJOOLN-AWEZNQCLSA-N 327.450 1.524 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1 48324922 ZXRAZLQUPRCJJX-SCLBCKFNSA-N 344.367 1.795 0 40 EDAB NC(=O)NC(=O)COC(=O)c1ccccc1Nc1ccc(F)cc1 3494848 CTTNUZXNHNYAAT-UHFFFAOYSA-N 331.303 1.921 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cn1ncc2ccccc2c1=O 69632785 QZGXJYKNMXAIIU-IRXDYDNUSA-N 340.427 1.482 0 40 EDAB COc1ccc(CC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 12921283 HSLVVZFHXJHORK-LBPRGKRZSA-N 348.424 1.763 0 40 EDAB CC(C)(C)OC(=O)NCCSc1n[nH]c(=O)n1C[C@@H]1CCCO1 69743385 UWVBCNKLJOILMO-JTQLQIEISA-N 344.437 1.367 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)NS(=O)(=O)c2ccc(F)cc2F)cn1 69775875 FKHRSPDITMFPGV-MNOVXSKESA-N 341.339 1.307 0 40 EDAB Cc1cc(C)n(CCCNC(=O)c2n[nH]c(=O)c3ccccc23)n1 5265457 IACSABQHSRLPQW-UHFFFAOYSA-N 325.372 1.557 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNC[C@H](CO)Cc1ccc(F)cc1 65476957 UOPRFFYPABWYON-OAHLLOKOSA-N 334.439 1.874 0 40 EDAB NS(=O)(=O)c1ccc(CC(=O)NCc2ccc(Cl)s2)cc1 65536629 IVAFWMYGQCIPAT-UHFFFAOYSA-N 344.845 1.908 0 40 EDAB CSc1ccccc1NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 65585767 MLQXAWAMXGXDKA-NSHDSACASA-N 343.474 1.954 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C[C@@H](C)O1 15587148 XEQYRKHQDOVMLK-TXEJJXNPSA-N 338.429 1.377 0 40 EDAB CCCCNc1ccccc1C(=O)OCC(=O)NCC(=O)NC(C)C 7241282 LJIHJNBAJDMXFK-UHFFFAOYSA-N 349.431 1.696 0 40 EDAB CN(CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1 7444128 SLOXKQCAKOXWIP-CQSZACIVSA-N 344.864 1.417 0 40 EDAB COCCNC(=O)[C@@H](C)Oc1cccc(I)c1 8939590 AFPQZESYBSJPEB-SECBINFHSA-N 349.168 1.821 0 40 EDAB Cc1nnc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)o1 7737748 WHSQBPSWVXTACQ-KRWDZBQOSA-N 326.356 1.834 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)N1CCN(C2CCOCC2)CC1 81032962 DVFGGUHWIXOSJI-MRXNPFEDSA-N 337.464 1.101 0 40 EDAB CCOc1ccc(-c2cn(C)c3nc(=O)n(C)c(=O)c-3n2)cc1OC 7871032 GMIOPCLZZWTBNC-UHFFFAOYSA-N 342.355 1.053 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)NCc1cn(C)nc1-c1ccccc1 96007841 RGVMMVLNJYRCTP-ZDUSSCGKSA-N 339.403 1.567 0 40 EDAB CCOC(=O)c1cccc(NC(=O)c2ccccc2OCC(N)=O)c1 9364684 HSLKTPBBFVCGNM-UHFFFAOYSA-N 342.351 1.980 0 40 EDAB Cn1cc(CN2CC[C@H](CSc3ccccc3)C2)c(=O)n(C)c1=O 93757147 DKBHYGSRRXSWHK-AWEZNQCLSA-N 345.468 1.698 0 40 EDAB CS(=O)(=O)[C@@H]1CSCCN1C(=O)Nc1ccc2c(c1)OCO2 83984470 CRQPAAOSGPTGMU-GFCCVEGCSA-N 344.414 1.367 0 40 EDAB Cc1noc(C)c1CN(C)CN1C(=O)NC(C2CC2)(C2CC2)C1=O 71792399 ZBQSDIQVMXXEBZ-UHFFFAOYSA-N 332.404 1.791 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccc(-n3ccnc3)cc2)CC1 71834608 UMENWUAJMBDWHD-UHFFFAOYSA-N 327.388 1.279 0 40 EDAB COc1ccnc(N2CCN(C(=O)N[C@H](C)c3ccc(C)o3)CC2)n1 71803903 FMBVQNWEEAQVIP-CYBMUJFWSA-N 345.403 1.979 0 40 EDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](c2ccccc2)C1 71844380 SWWHYDPEENJWBL-LSDHHAIUSA-N 339.482 1.923 0 40 EDAB CCCN1CCCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 71850321 LPZOKEJLLXLOQH-UHFFFAOYSA-N 331.416 1.929 0 40 EDAB NC(=O)CN1CCCN(C(=O)C[C@@H]2CCc3ccccc3C2)CC1 71899411 CFCZPIZGCWFERE-OAHLLOKOSA-N 329.444 1.201 0 40 EDAB CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1F 112708134 MDNRTXQEMCNLHA-VIFPVBQESA-N 341.401 1.409 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(Cc3nnsc3Cl)C2)n[nH]1 78900563 WWXNRJXPAVZCKY-SSDOTTSWSA-N 326.813 1.393 0 40 EDAB O=C(NC1(C(=O)O)CCCCC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 72276975 RSFJBMYTYOIGIF-VIFPVBQESA-N 336.310 1.301 0 40 EDAB O=C(COCCOc1ccccc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269239 NRYVZAHMUUZXSK-ROUUACIJSA-N 348.443 1.140 0 40 EDAB NS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ccc(F)cc32)cs1 72270363 NBFASRRGDSOSIF-LBPRGKRZSA-N 340.401 1.952 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCN1CCC[C@H]2CCCC[C@@H]21 72289969 YHAJHQRCDZCSGG-NCOADZHNSA-N 335.492 1.920 0 40 EDAB C[C@@H](CNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Cn1ccnc1 72292990 DCNFTWSLGAAKMV-SOUVJXGZSA-N 346.431 1.201 0 40 EDAB Cc1cc(N2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)nc(C)n1 97085935 DXUNWZCSXVAXFP-UHFFFAOYSA-N 346.456 1.824 0 40 EDAB CN(C(=O)CS(=O)(=O)N(C)C)[C@@H]1CCC[C@H]1Cc1ccccc1 97107514 TXHMYOCUYBDKSA-JKSUJKDBSA-N 338.473 1.748 0 40 EDAB Cc1noc(-c2ccccc2)c1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 97108245 OVFYEAQOYKPVHI-GJZGRUSLSA-N 327.384 1.805 0 40 EDAB CC(C)OC[C@H](O)CN1CCN(C(=O)c2cccc(Cl)c2)CC1 97100024 MLPSUXJHXNKZSP-MRXNPFEDSA-N 340.851 1.884 0 40 EDAB CC1CCN(C(=O)[C@@H](C)[S@@](=O)Cc2cccc(C(N)=O)c2)CC1 84697923 GGTJIIKPIDCNSV-JCQPUDPBSA-N 336.457 1.681 0 40 EDAB CC[C@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@H]1N1CCOCC1 84735898 TZCUYVLIQNVIKP-FUHWJXTLSA-N 344.455 1.733 0 40 EDAB COc1cc(F)c(S(=O)(=O)N2C[C@H](CO)CC[C@H]2C)cc1OC 95454455 JWSQRHTUWKVNON-GHMZBOCLSA-N 347.408 1.624 0 40 EDAB CS(=O)(=O)CC1(CC(=O)N2CCC[C@@]3(CCCOC3)C2)CC1 79993013 GUVZHMQDQFPIDK-MRXNPFEDSA-N 329.462 1.621 0 40 EDAB Cn1cc(NC(=O)CN2CCCCC2=O)cc(Br)c1=O 88214000 LXSOFQSBDOMCLT-UHFFFAOYSA-N 342.193 1.099 0 40 EDAB COc1cc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc(OC)c1O 85875590 MHEMPPAQDDSYGI-SNVBAGLBSA-N 331.324 1.847 0 40 EDAB biogenic CCOC[C@H]1CCN(CC2CC2)C2(C1)CN(C(=O)c1cnccn1)C2 306127035 FMCVDVJWRZOHSI-INIZCTEOSA-N 344.459 1.830 0 40 EDAB Cc1nc(N2CCN(C(=O)N[C@@H](C)Cn3cncn3)CC2)sc1C 89562528 FRRJDVLNWKQULS-NSHDSACASA-N 349.464 1.272 0 40 EDAB Cc1ccc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c(=O)[nH]1 75122890 ZWIACKVMNBPEHA-INIZCTEOSA-N 339.395 1.777 0 40 EDAB COC(=O)CCCS(=O)(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 75109587 KQMFMWDTIWPVAZ-MELADBBJSA-N 334.482 1.225 0 40 EDAB COCCN1CCN(CC(=O)NCC2(c3ccccc3)CC2)C[C@H]1C 75129489 LKNLZZPSPITZMO-QGZVFWFLSA-N 345.487 1.487 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@H](O)c2cccc(F)c2)c(=O)[nH]1 75124388 IQGYNDZNVOPVFH-HNNXBMFYSA-N 333.363 1.664 0 40 EDAB CCS(=O)(=O)N1c2ccc(C(=O)N3CCOCC3)cc2C[C@H]1C 20449185 LURAGCDSSWPMCZ-GFCCVEGCSA-N 338.429 1.260 0 40 EDAB CCn1cc(C(=O)NCCN2CCOCC2)c(=O)c2ccccc21 408713073 JFCGKBAONBLRNL-UHFFFAOYSA-N 329.400 1.083 0 40 EDAB COCCNC(=O)c1cc(S(=O)(=O)NC2CCCC2)ccc1C 408610757 VQCJOKPIIUEIIJ-UHFFFAOYSA-N 340.445 1.592 0 40 EDAB CN1CCC[C@H](c2nc(N(C)C)ncc2I)C1 72343521 BZWJIPILGXGUPF-VIFPVBQESA-N 346.216 1.956 0 40 EDAB NCC(=O)N1CCC[C@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 79412608 HHWIJSPNJKTMSV-INIZCTEOSA-N 345.443 1.985 0 40 EDAB N[C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc2c(c1)OCO2 72227576 GTAINGLNQBNMFF-HZPDHXFCSA-N 326.308 1.559 0 40 EDAB C=Cn1cc(CN2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)c(C)n1 72336062 KHDXHVVICVWAFK-CJNGLKHVSA-N 325.416 1.846 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)N2CCc3ccccc32)C1 36391958 QLLOYVFIKFVTIH-YOEHRIQHSA-N 329.444 1.812 0 40 EDAB CC(C)C[C@@H](C)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 31411349 MHVRNSJTDJRSHG-LLVKDONJSA-N 332.404 1.139 0 40 EDAB CN(C)c1nccc(N2CCN(c3ncnc4c3CCCC4)CC2)n1 153121625 IZBCMNDOAPYNGU-UHFFFAOYSA-N 339.447 1.538 0 40 EDAB O=C(c1nnc(O)c2ccccc12)N1CC[C@@H](Nc2ncccn2)C1 1056630038 HIAKTMWXAACFOA-LLVKDONJSA-N 336.355 1.452 0 40 EDAB Cc1cc(NC(=O)CCn2cc(Br)ccc2=O)n(C)n1 79043924 LFDMTZQSRVLWLQ-UHFFFAOYSA-N 339.193 1.682 0 40 EDAB CC(=O)N1CCN(c2cc(C)nc3cc(-c4nccn4C)nn23)CC1 72338487 FSVFIQCRCPGYRF-UHFFFAOYSA-N 339.403 1.107 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 73461837 ASAVJENCNVTQFB-AWEZNQCLSA-N 336.417 1.277 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](C(=O)O)C2CCOCC2)c(C)c1 567043364 RTEFYRZGMVIXIR-CQSZACIVSA-N 341.429 1.709 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@@](O)(c2ccccc2)C2CC2)no1 70968429 GVVLUGRCAFCFKW-QGZVFWFLSA-N 329.356 1.336 0 40 EDAB O=C(c1ccccc1-n1ccnn1)N1CCN(c2ccccc2O)CC1 181683993 BXBPSZYMSGNWQD-UHFFFAOYSA-N 349.394 1.935 0 40 EDAB CCc1nnsc1C(=O)NCc1cccc(NC(=O)CN(C)C)c1 46039232 VQSQKMIMXKUJRR-UHFFFAOYSA-N 347.444 1.531 0 40 EDAB O=C(Cn1cnc2ccccc21)N1CCC(c2cc(=O)[nH]cn2)CC1 82039376 ATEHGSKCEGWTLP-UHFFFAOYSA-N 337.383 1.526 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1N1CCCC1=O 40485574 UQIJZIGTNKCQSF-GFCCVEGCSA-N 336.413 1.495 0 40 EDAB CCN1CCN(C(=O)CCc2nc(-c3cccc(OC)c3)no2)CC1 41185224 GZUOOZAHSQNYFX-UHFFFAOYSA-N 344.415 1.842 0 40 EDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)N(C)C(C)C)no1 225453840 FOCRLQMORUYAIV-STQMWFEESA-N 327.404 1.682 0 40 EDAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C)c1 223671969 AGJDHVFFTDRHPS-HZPDHXFCSA-N 344.440 1.956 0 40 EDAB CC1(CO)CCN(CCN(Cc2ccccc2)S(C)(=O)=O)CC1 192188102 FWIFJQXTGWEOLT-UHFFFAOYSA-N 340.489 1.543 0 40 EDAB CN(C)[C@@H]1CCN(C(=O)NCc2ccccc2)[C@H]1Cc1cnn(C)c1 96200922 LCIVHNXCEICCPY-MSOLQXFVSA-N 341.459 1.877 0 40 EDAB NC(=O)N1CC[C@H](NC(=O)CCc2ccc(Br)cc2)C1 96451291 GSIOQLBWQAKICY-LBPRGKRZSA-N 340.221 1.651 0 40 EDAB COC(=O)c1ccc([C@@H]2CC(=O)NS2(=O)=O)c(Br)c1 90513318 SNXNWXVHQBYUIX-VIFPVBQESA-N 348.174 1.127 0 40 EDAB O=C(Nc1n[nH]c2cccc(F)c12)C1(n2cnnn2)CCCCC1 95473536 GXYJVPUWCKDANB-UHFFFAOYSA-N 329.339 1.987 0 40 EDAB CCCCS(=O)(=O)N1Cc2ccnn2C[C@H](c2nc(C)no2)C1 96067212 BUDZSSMXDRAPOU-GFCCVEGCSA-N 339.421 1.304 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(Cc1ccoc1)CC2 96254561 LHHONAPVFCNYNK-UHFFFAOYSA-N 328.416 1.815 0 40 EDAB Cc1cccc(C(=O)N2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)n1 96050542 VPYGFYPZDIOMAO-GOSISDBHSA-N 339.399 1.393 0 40 EDAB O=C([C@H]1CCCO1)N1CC[C@@]2(c3ccccc3)CN(CCO)C[C@@H]2C1 96083364 HVFBFULGUBJFTC-GGPKGHCWSA-N 344.455 1.260 0 40 EDAB Cc1cc(C(=O)N2CCc3c(COCCN(C)C)cncc3C2)no1 96067355 VQCSPZSHMMOUPL-UHFFFAOYSA-N 344.415 1.655 0 40 EDAB CN(C)CCOCc1nnc2n1CCN(Cc1cccs1)CC2 96058863 CXBIIUMLDWUDOS-UHFFFAOYSA-N 335.477 1.476 0 40 EDAB CN(C)c1ncc(CNC[C@@H]2CCCN(C)[C@H]2c2cncn2C)cn1 583616634 UJDUFLFOCMKJOK-DOTOQJQBSA-N 343.479 1.449 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2cnc(N(C)C)nc2)C1 583617644 VIOZVJFKNGIHON-KGLIPLIRSA-N 343.435 1.500 0 40 EDAB COCCN1CC2(CCNCC2)COc2ccccc2S1(=O)=O 96145165 XVGYXNIMLKOUSW-UHFFFAOYSA-N 340.445 1.086 0 40 EDAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)Cc1ccsc1)C2 96071518 AMACYVAIAFDPKP-OAHLLOKOSA-N 342.486 1.707 0 40 EDAB O=C(c1cnc2n1CCN(Cc1cccs1)C2)N1CCOCC1 96198680 NLEKMVOBCKRSLF-UHFFFAOYSA-N 332.429 1.433 0 40 EDAB Cc1ccc(CN2Cc3[nH]nc(C(=O)N4CCN(C)CC4)c3C2)o1 96187525 NTYYQIFKNSQSFP-UHFFFAOYSA-N 329.404 1.215 0 40 EDAB CN(C)C[C@@H]1CO[C@@H]2CN(C(=O)c3cnc4ccccc4c3)C[C@@H]21 247945723 AZZJXEDDJHBVBW-JFIYKMOQSA-N 325.412 1.883 0 40 EDAB Cc1cc(OC(=O)[C@H](C)[C@@H](O)[C@](C)(CO)C(=O)O)cc(C)c1Cl 253377637 XRWNNYSQAUNBGV-ZXIHIIQKSA-N 344.791 1.942 0 40 EDAB O=S(=O)(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1ccccc1 257284420 PCQGAIHBMARDIF-BRWVUGGUSA-N 338.473 1.733 0 40 EDAB CO[C@H]1COCC[C@H]1N1CCN(C(=O)c2cc(Cl)cn2C)CC1 585088333 WDVNZKWMNZFHKG-HIFRSBDPSA-N 341.839 1.240 0 40 EDAB COc1ccccc1[C@@H](C)N1CCN(C(=O)c2cn(C)nn2)CC1 585083772 JYIAHCAARMLXCX-CYBMUJFWSA-N 329.404 1.343 0 40 EDAB CC[C@@H]1COCCN1C(=O)Nc1ccc(F)c(S(N)(=O)=O)c1 585135553 QCEMZDMGBAIWIP-SNVBAGLBSA-N 331.369 1.116 0 40 EDAB CCCc1cc(NC(=O)NCCS(=O)(=O)C(F)(F)F)n(C)n1 585120003 FSWZPSYJJXCKOJ-UHFFFAOYSA-N 342.343 1.429 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(CO)cc2)C1 585129939 CIGZEBINJSNDSJ-ZDUSSCGKSA-N 326.418 1.179 0 40 EDAB CN(C(=O)c1c[nH]cn1)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257241634 HYVTWWKPFGCPIV-PMPSAXMXSA-N 333.363 1.982 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)c2cn(C)nc2C)n1 257304549 SMDXPPRLGVHHOI-HNNXBMFYSA-N 342.403 1.132 0 40 EDAB Cc1cccc(C(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)n1 257325257 WSDFELISQIEQHU-LJQANCHMSA-N 340.427 1.889 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C(C)=O)CCN2Cc2ncc[nH]2)c1 257315704 VCMBVYOOGKCGRV-MRXNPFEDSA-N 341.415 1.175 0 40 EDAB CNCC(=O)N1CCC2(CC1)C[C@@H](Cc1ccccc1)N(C)C2=O 257224339 FBKAWUFCGUNFDP-MRXNPFEDSA-N 329.444 1.288 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C[C@@H](C)O)CC1 85467205 YFCHKMGRSCMLKY-LLVKDONJSA-N 332.853 1.336 0 40 EDAB CNC(=O)[C@]1(COC)CCCN1C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 606445098 YECKFIKWMCYBAV-WFXMFSGNSA-N 328.412 1.326 0 40 EDAB Cc1cc2oc(-c3ccc(O)c(C(N)=O)c3)c(CC(=O)O)c2c(O)n1 604404678 IYXBXKJORCPTEX-UHFFFAOYSA-N 342.307 1.940 0 40 EDAB biogenic CCCCNC(=O)N1C[C@@H](NC(=O)C2CC2)[C@H](c2nccn2C)C1 1615551179 KOTJMNCNEAZDIK-ZIAGYGMSSA-N 333.436 1.224 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)NCc1cccc(CO)c1 1615614908 MMKNQLMYMNEOOZ-LJQANCHMSA-N 326.396 1.604 0 40 EDAB O=C(c1cnccn1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1 575402496 BBFSFLCNIZYPOK-KRWDZBQOSA-N 349.394 1.915 0 40 EDAB CCN1CC[C@]2(CN(C(=O)c3cnc(C)[nH]3)CC(F)(F)C2)C1=O 585093139 DZEVRCLEJCZNPK-AWEZNQCLSA-N 326.347 1.438 0 40 EDAB O=C(NCCn1nc2c(cc1=O)CCC2)[C@@H]1CCc2ccccc2O1 585150539 PGNAVOOMGWDOPO-KRWDZBQOSA-N 339.395 1.242 0 40 EDAB CO[C@@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/c2cnn(C)c2)C1 585290640 RUKDVXPWSPPJOE-IPLHWJFFSA-N 348.447 1.309 0 40 EDAB O=C(Cn1cncn1)N1CCN(Cc2ccc(F)cc2Cl)CC1 41315761 ZSQUNBLCKIQJSV-UHFFFAOYSA-N 337.786 1.415 0 40 EDAB O=C(Cn1ccnc1)NC[C@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O 585286398 XRNQUCNYSIRAHR-SRCQZFHVSA-N 349.818 1.871 0 40 EDAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CC[C@@H]2[C@@H](CCCC(=O)N2C)C1 585289226 GFXUHJRGJYWPLZ-IVAPMYIESA-N 344.459 1.910 0 40 EDAB C[C@@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)S(C)(=O)=O 45878735 YXFZGOCKGFJFKQ-ZETCQYMHSA-N 342.398 1.439 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2CCc3ccccc32)no1 46154812 XTQWBMORSFSKNS-LBPRGKRZSA-N 334.397 1.876 0 40 EDAB O=C(CN1CCC(c2nnc(C3CC3)o2)CC1)NC[C@H]1CCCO1 49377567 JQMVEWVXOIKDDF-CQSZACIVSA-N 334.420 1.422 0 40 EDAB Cn1nccc1CCNC(=O)NC1CCN(c2ccccc2)CC1 97140458 AFSGUSDYLKXKNH-UHFFFAOYSA-N 327.432 1.931 0 40 EDAB C[C@@H]1CN(C(=O)C(C)(C)NC(=O)C(F)(F)F)CCN1C1CCCC1 1616037156 ASKTXIZDXCASAK-LLVKDONJSA-N 349.397 1.919 0 40 EDAB C[C@@H](O)[C@@H](CO)Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12 203814022 PRWQQLFMBINSAW-IAQYHMDHSA-N 340.383 1.254 0 40 EDAB CCc1nn(CC(=O)NC2CCCC2)c(=O)c2cc3occc3n12 5149355 TVNYVSACZUYQMG-UHFFFAOYSA-N 328.372 1.863 0 40 EDAB Cc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)cc1 11665623 KHVWSXKMBRGLPY-CJNGLKHVSA-N 327.384 1.624 0 40 EDAB COc1cccc(C2(O)CCN(CCNC(=O)[C@@H]3CCCO3)CC2)c1 12291016 LECZTXZEYLKUHU-KRWDZBQOSA-N 348.443 1.274 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=N[C@H]2c1cccnc1 14607551 DSLKALQRYQRADC-MRXNPFEDSA-N 347.382 1.460 0 40 EDAB COCCNC(=S)NC[C@H](c1ccccc1OC)N1CCCC1 15348422 UMAWGUUUHZLZHQ-OAHLLOKOSA-N 337.489 1.943 0 40 EDAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(N)=O)c(OC)c1 16042943 GQMUCHIOEPZMTD-ZYSHUDEJSA-N 348.443 1.857 0 40 EDAB biogenic Cc1cc2nc([C@H](C)NC(=O)COc3ccccn3)cc(O)n2n1 19129728 CGCNUNAOYAPELD-NSHDSACASA-N 327.344 1.395 0 40 EDAB CN1N[C@@H](c2cccs2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 19169967 ZIEJQJNYJCOWCB-QLFBSQMISA-N 327.409 1.793 0 40 EDAB Cc1nc(=O)c2nnn(C[C@H]3CCCN3C(=O)c3ccccc3)c2[nH]1 19286506 ATRRTRHFDWUKDC-CYBMUJFWSA-N 338.371 1.128 0 40 EDAB Cc1nnsc1C(=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 19563447 YGPNVCXMEXZYBN-NSHDSACASA-N 345.428 1.369 0 40 EDAB CC(=O)N[C@@]12CCN(C)C[C@@H]1CN(c1nnc(C)c3ccccc13)C2 19713661 QQQHUOYBWVSRMC-DNVCBOLYSA-N 339.443 1.585 0 40 EDAB CCc1noc(CCC(=O)N2CC[C@@H](C(=O)NC3CCCC3)C2)n1 19750491 LWNFMMMJIWBIGD-GFCCVEGCSA-N 334.420 1.472 0 40 EDAB O=C1NCCN1C(=O)NC[C@@](O)(c1ccccc1)C1CCOCC1 575613575 TXKUZNJPGDRCGA-QGZVFWFLSA-N 333.388 1.036 0 40 EDAB O=C(c1ccccc1F)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 1848352435 MQBMCZPYMITILU-ZIAGYGMSSA-N 328.334 1.742 0 40 EDAB CCC[C@H]1NC(=O)N(CN2CCN(Cc3ccsc3)CC2)C1=O 23248986 OLYUXSLDTGCWBI-CQSZACIVSA-N 336.461 1.544 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccsc2)CC1 28094493 ZNUXAKIANZLLGO-ZDUSSCGKSA-N 347.440 1.804 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@H]2[C@@H](CC1)OCCN2c1cccnc1 1565548177 UZISJNDLMOYGEF-IGKNDFSCSA-N 343.427 1.170 0 40 EDAB O=C(N1CCOC[C@@]2(C[C@@H](Cn3ccnc3)CO2)C1)C1(F)CCC1 1565547072 KALPUBDCDMNMCY-GOEBONIOSA-N 337.395 1.409 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1 1565551037 JEKGVZDBFMTJCI-CTASWTNQSA-N 344.415 1.233 0 40 EDAB Cc1cc(-c2nnc(NC(=O)c3ccc4c(c3)OCCO4)o2)nn1C 12443047 SGSDVBRZRRGDHN-UHFFFAOYSA-N 341.327 1.802 0 40 EDAB CC(C)(C)NC(=O)C(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 23127803 ACSYGVZVJFIJGF-MRXNPFEDSA-N 347.459 1.481 0 40 EDAB Cc1nccn1-c1cccc(N2CCN(c3ncc(F)cn3)CC2)n1 2298061406 HBXWLQNGCMQPTE-UHFFFAOYSA-N 339.378 1.831 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCCn2nc(C)cc2C)cc1 75170418 YMQQDTXQVNZHON-UHFFFAOYSA-N 337.401 1.265 0 40 EDAB Cc1ccccc1NC(=O)[C@H](C)N1CCN(CC(=O)NC2CC2)CC1 23253534 RTRZTONKTNBGDH-HNNXBMFYSA-N 344.459 1.218 0 40 EDAB CCOCC(=O)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225762796 BZXDTLNTROOPDG-UHFFFAOYSA-N 349.362 1.029 0 40 EDAB CC1CCN(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)CC1 40058666 ZTQNWIVRWNWVPH-UHFFFAOYSA-N 338.477 1.748 0 40 EDAB C[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)N(C)c1ccccc1 40105115 XUGIYEBOZFGZRS-NSHDSACASA-N 342.852 1.877 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cccc(F)c1 40162010 JKLSPDXZSAVCHG-QGHHPUGFSA-N 333.363 1.723 0 40 EDAB CC[C@@H](C)[C@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100767434 JYMAHYMXWBVPRI-FHIHXZLISA-N 345.443 1.345 0 40 EDAB C[C@@H](NC(=O)COC1CCCCC1)c1ccc(S(N)(=O)=O)cc1 40553249 RDHOWJAITLWPCO-GFCCVEGCSA-N 340.445 1.861 0 40 EDAB C[C@@H](CNC(=O)CCc1nc(-c2ccccc2)no1)N1CCOCC1 40509861 WLMMHRUCJCNPAI-AWEZNQCLSA-N 344.415 1.506 0 40 EDAB C[C@H](CC(=O)Nc1ccc(F)cc1)NC[C@H]1CCCS1(=O)=O 90468160 DVCJCTZMSSFRDQ-BXUZGUMPSA-N 328.409 1.710 0 40 EDAB NC(=O)c1ccc(C(F)(F)F)n(Cc2cn3ccccc3n2)c1=O 31799879 AMKQKNSVQQYCLX-UHFFFAOYSA-N 336.273 1.662 0 40 EDAB CN(C)CCNC(=Cc1ccc2ccccc2[n+]1C)NCCN(C)C 1609036 ZKHGZFKQTDKCAO-UHFFFAOYSA-O 342.511 1.265 0 40 EDAB COc1ccc(OC)c(/C=C/C(=O)n2cnc3c(N)ncnc32)c1 3852611 CZTARWGZLPMADW-ZZXKWVIFSA-N 325.328 1.779 0 40 EDAB Cn1cccc1C(=O)NC(=O)CSc1nc2ncc(Cl)cc2[nH]1 7738517 XDQMKYYPQXOOIT-UHFFFAOYSA-N 349.803 1.999 0 40 EDAB O=C(NCC(=O)N1CCCC1)c1ccc(N2CCOCC2)c(F)c1 69581126 QWXTUDLUNBVJOG-UHFFFAOYSA-N 335.379 1.015 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102008296 BYTMZVVIAPQSOD-DPDCMNJDSA-N 326.352 1.441 0 40 EDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1C[C@H](C)O[C@H](C)C1 17283158 JYRPFGZPPMBJRL-XHSDSOJGSA-N 347.459 1.856 0 40 EDAB NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3ccc[nH]3)c2)CC1 89780533 QKPPZSXRHNRZBS-UHFFFAOYSA-N 340.427 1.893 0 40 EDAB Cn1nccc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 108534925 PNAMMCLSYFLJBK-FUHWJXTLSA-N 332.448 1.271 0 40 EDAB CCn1c(SCCNS(C)(=O)=O)nnc1-c1ccccc1C 83836968 XDMWYCLZFMINKP-UHFFFAOYSA-N 340.474 1.915 0 40 EDAB COc1ccccc1[C@H](C)N(C)CC(=O)NC1CCN(C(C)=O)CC1 46530907 FKTMOKFHSXKBNJ-AWEZNQCLSA-N 347.459 1.815 0 40 EDAB CCCCOCCCNC(=O)CNC(=O)c1cc(Cl)ccn1 21900516 LPWVPZIZBPXOBE-UHFFFAOYSA-N 327.812 1.788 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)C1 106933599 INGGGXHTVKVKEX-JLZZUVOBSA-N 334.391 1.983 0 40 EDAB Cn1cc(N2CC[C@@H](N3CCC[C@@H](Cc4nccn4C)C3)C2=O)cn1 104320969 WQNINEUDOUXFFB-GOEBONIOSA-N 342.447 1.214 0 40 EDAB Cc1cc(S(=O)(=O)N2CCCNCC2)ccc1Br 37463934 KJRNOWIPILXIKA-UHFFFAOYSA-N 333.251 1.742 0 40 EDAB COC(=O)Nc1cccc(NC(=O)NCCCN2CCCC2=O)c1 59350650 ANNTZRLHXDNEEN-UHFFFAOYSA-N 334.376 1.999 0 40 EDAB CCN(CC)C(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O 12425067 ZCTRTLOWNCTVLJ-ZDUSSCGKSA-N 336.413 1.901 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@H]1Cc2ccccc21 104855024 NOONJBNAVIAUJL-CQSZACIVSA-N 336.395 1.638 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)NCc1ccc(C)n1C 23575514 GFRCQZDHKZMZLJ-UHFFFAOYSA-N 329.400 1.778 0 40 EDAB C[C@H]1CCCN(C(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)C1 57355327 XLOCWRJHUZDJBC-ZDUSSCGKSA-N 334.420 1.293 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)NC[C@H]2Cc3ccccc3O2)cc1 47687492 CKCWRAFCUJJNTD-CYBMUJFWSA-N 332.381 1.068 0 40 EDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1cc2ccccc2[nH]1 47635215 FSVPMVIGXYUFEE-YJBOKZPZSA-N 343.427 1.635 0 40 EDAB C[C@H](c1ccccc1)N(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 24686344 HHMFRXUGDZLHBU-LLVKDONJSA-N 342.399 1.329 0 40 EDAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCCC[C@H]2CCO)cc1 106748427 XQWWYFSMNLMFFB-IRXDYDNUSA-N 336.432 1.622 0 40 EDAB C[C@H]1c2cccn2CCN1C(=O)CN(C)S(=O)(=O)c1ccccc1 25114136 MZICNASWKFMWTO-AWEZNQCLSA-N 347.440 1.712 0 40 EDAB COc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cn1 12542628 UPYQZPOEZZXUMG-UHFFFAOYSA-N 340.339 1.394 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)C1 25439022 UPTSSIUNEJPTEC-GDBMZVCRSA-N 346.427 1.997 0 40 EDAB O=C(CN1CCN(c2ccccc2F)CC1)NC(=O)NC1CCCC1 35361635 CDHLRMUZPNUYAK-UHFFFAOYSA-N 348.422 1.716 0 40 EDAB CNC(=O)Cn1cc(NC(=O)c2ccccc2Br)cn1 37791124 KLAQEYSAVSQWJN-UHFFFAOYSA-N 337.177 1.644 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3cccnc3)C[C@H]1C2 306129088 HUCWTQJRKZOIOY-CABCVRRESA-N 340.431 1.116 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)c2ccc3c(c2)CCO3)c1 27346016 KDFQHTWZFQAZSS-UHFFFAOYSA-N 346.408 1.460 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)NCc1ccc2c(c1)OCCO2 44866114 HNEQFKJSONDAOY-UHFFFAOYSA-N 341.289 1.990 0 40 EDAB CS(=O)(=O)CCN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 48021392 CKODNGDDYWPNAY-UHFFFAOYSA-N 344.864 1.071 0 40 EDAB CCN1CCN(CCC(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 58245150 AUEPSGMHUFCVFJ-HNNXBMFYSA-N 349.475 1.909 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCC(=O)NC(N)=O 58223131 XAVYUELQWFDARN-NSHDSACASA-N 332.404 1.474 0 40 EDAB C[C@@H](NC(=O)NCCN1CCOCC1)c1ccc(-n2ccnc2)cc1 44909808 RCFHEPDVIPHHDW-OAHLLOKOSA-N 343.431 1.565 0 40 EDAB Cc1csc(=O)n1CCN(C[C@@H]1CCCO1)C[C@@H]1CCCO1 44949076 CXHIEKJXDMFCBO-GJZGRUSLSA-N 326.462 1.878 0 40 EDAB Cc1cc(C)n2ncc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)c2n1 44908675 OLLNLYIYQJLKEX-OAHLLOKOSA-N 345.447 1.433 0 40 EDAB CCCn1c(=O)n(CC(=O)N[C@@H](C)[C@@H]2CCCO2)c2ccccc21 27882833 PUODMDVIOANLEN-BBRMVZONSA-N 331.416 1.897 0 40 EDAB CCc1noc(CN2CCN(C(=O)Cc3ccc(OC)cc3)CC2)n1 58314197 PSXAECBRKOCJQH-UHFFFAOYSA-N 344.415 1.528 0 40 EDAB O=C(NC1CCCC1)c1nnc2n1CCN1CCN(CC3CC3)C[C@H]21 306135126 OIOLSVDQRKDIKX-OAHLLOKOSA-N 344.463 1.033 0 40 EDAB CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)Nc1ccc(N(C)C)cc1 10648516 ZMMMVRDMCJNRRQ-HCRIHEDKSA-N 334.372 1.742 0 40 EDAB O=C(O)c1cc(C(=O)O)cc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 2302713 CUTRFYDWLHUNDC-OZVVPTBGSA-N 329.308 1.619 0 40 EDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N2CCOCC2)nc1 12832141 QZPSHDGDKWHRJR-UHFFFAOYSA-N 339.355 1.340 0 40 EDAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(-n2cnnn2)cc1 3451009 GBOTXFORJZEOLB-UHFFFAOYSA-N 349.350 1.408 0 40 EDAB COc1cccc(N2CC[C@@H](CNC(=O)N[C@@H](C)C(=O)N(C)C)C2)c1 69655567 RHBFPIUWCUYAGA-KBPBESRZSA-N 348.447 1.297 0 40 EDAB CCc1ccccc1N1C[C@@H](C(=O)NCCN(C)C2CC2)CC1=O 63117379 DQTXPAWOQRVJGS-HNNXBMFYSA-N 329.444 1.812 0 40 EDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CCCCC1 7916521 ZUUXLLZKAZRYNI-NSHDSACASA-N 335.429 1.563 0 40 EDAB Cc1csc(N2CCN(C[C@@H](O)CN3CCC(C)CC3)CC2)n1 69656290 VGLQDJWTJJOXON-INIZCTEOSA-N 338.521 1.666 0 40 EDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1cccs1)C2=O 8273460 LWTFCHYPVKBPJI-UHFFFAOYSA-N 349.456 1.908 0 40 EDAB CCc1ncc(C(=O)NCCNC(=O)COc2ccccc2)s1 65402502 IDVQNAWCBDFOIK-UHFFFAOYSA-N 333.413 1.631 0 40 EDAB COCCN(CCNC(=O)CCn1c(=O)oc2ccccc21)C1CC1 65495856 RUMWQTTZAYGABK-UHFFFAOYSA-N 347.415 1.212 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CCN(c2nccs2)CC1 14098912 KYIXDQMPMGRDCT-UHFFFAOYSA-N 327.406 1.793 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)CCn3cccn3)cn2)CC1 69377103 YBVRHYILWPUYQV-UHFFFAOYSA-N 342.447 1.127 0 40 EDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O 14159291 OQZGGUVOCTUAOZ-QGZVFWFLSA-N 333.363 1.605 0 40 EDAB COCc1ccccc1C(=O)N1CCN(c2nccc(OC)n2)CC1 65609634 AVBIJYDWVSFQGS-UHFFFAOYSA-N 342.399 1.594 0 40 EDAB Cc1cc(N2CCCC[C@H]2Cn2nc(C)nc2C)n2ncnc2n1 69871768 WJFOTZDTEGDUJG-AWEZNQCLSA-N 326.408 1.700 0 40 EDAB O=C([C@@H]1CCCCN1C(=O)CCc1ccsc1)N1CCOCC1 66485227 UJUCBWJRQAQGON-HNNXBMFYSA-N 336.457 1.921 0 40 EDAB COc1ccc(COC[C@H](O)CN2CCc3cncnc3C2)cc1 69810327 YOKVDVJEOZXVJP-MRXNPFEDSA-N 329.400 1.421 0 40 EDAB O=C(c1ccc(N2CCOCC2)nc1)N1CCC[C@@H](n2cccn2)C1 69420664 QGRNVGLNOYDWGS-MRXNPFEDSA-N 341.415 1.592 0 40 EDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nnc(C(F)(F)F)[nH]1)CS2 69457558 PJAQMRMFTYQBCQ-GPXNAGAYSA-N 335.311 1.216 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)n1cnnn1 7069185 WEVHKFSMRKITBN-CQSZACIVSA-N 337.339 1.824 0 40 EDAB CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 15324518 NBCAJTLFILBQHA-GFCCVEGCSA-N 348.490 1.827 0 40 EDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)NCC(=O)Nc2ccc(F)cc2)C1 72074438 KLEUBLBIWWRBLW-RYUDHWBXSA-N 343.424 1.577 0 40 EDAB Cc1cnc(NC(=O)CS(=O)(=O)NC2CCC(C)CC2)s1 71185206 IDCODJXWPVTZHE-UHFFFAOYSA-N 331.463 1.888 0 40 EDAB Cc1nc(O)cc(C2CCN(Cc3cc4n(n3)CCCNC4)CC2)n1 72147429 QORXKPLAXJUORR-UHFFFAOYSA-N 342.447 1.560 0 40 EDAB CCCNC(=O)N1CCN(S(=O)(=O)c2cccc(C)c2)CC1 9154669 MVAFJAMZFHDRHD-UHFFFAOYSA-N 325.434 1.421 0 40 EDAB CC[C@@H](C)[C@@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007689 BWYOOKXQVRTMRE-SCZZXKLOSA-N 326.340 1.786 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(CCCn3ccnc3)CC2)cc1 96493044 CPOXWCNXDHFHDA-UHFFFAOYSA-N 348.472 1.588 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CCc2nc(C3CC3)no2)CC1 89920406 PKNODSYEDDTTSP-DGCLKSJQSA-N 332.404 1.206 0 40 EDAB CCN(CC)C(=O)CN1CCN(C(=O)Nc2cccnc2OC)CC1 71820793 QTHUJNGCFDVCMV-UHFFFAOYSA-N 349.435 1.108 0 40 EDAB Cc1ccc2nc(CNC(=O)[C@@H](C(C)C)N3CCCC3=O)cn2c1 71849919 LKFHBNGDCMUQOI-QGZVFWFLSA-N 328.416 1.906 0 40 EDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCC[C@H](C(N)=O)C2)o1 84195256 ONAWWTWQBSPUKW-QWHCGFSZSA-N 341.433 1.167 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC[C@@H](n2cccn2)C1 72283090 SLORXEOWIBKWDA-LLVKDONJSA-N 327.344 1.498 0 40 EDAB CC(C)c1nnc(NC(=O)NCCCN2C(=O)CCC2=O)s1 72268143 MBAZQYVNXOAURP-UHFFFAOYSA-N 325.394 1.322 0 40 EDAB O=C([C@H]1CCCN1Cc1ccc(N2CCCC2)nc1)N1CCOCC1 97032586 GVYBPGFFRHCDAR-QGZVFWFLSA-N 344.459 1.505 0 40 EDAB Cc1c(Br)c2ccccc2n1CC(=O)NC(CO)CO 97032790 YWYHOXOPCWIXJZ-UHFFFAOYSA-N 341.205 1.182 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(c2noc(C(C)(C)C)n2)CC1 97115298 OBXZICISRLCLHF-UHFFFAOYSA-N 347.419 1.863 0 40 EDAB CC1(C)CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1 76015069 FSWHKYIGOIAVEO-UHFFFAOYSA-N 335.433 1.298 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)C[C@@H]3OCCc4ccsc43)CCO2)n1 76044939 CXGOWKZUZZHCIB-STQMWFEESA-N 348.428 1.779 0 40 EDAB C[C@]1([C@H]2CCCN(CC[S@@](=O)c3ccccc3)C2)NC(=O)NC1=O 72300769 IJDCGQSNTNXEKF-GEKMOSISSA-N 349.456 1.104 0 40 EDAB CC(=O)N1CCN([C@H]2CN(Cc3cccc(F)c3F)C[C@@H]2C)CC1 76055736 PPWUGZPQCKGJSO-GUYCJALGSA-N 337.414 1.949 0 40 EDAB O=C(CN1CCC[C@H](c2noc(C3CC3)n2)C1)NC[C@@H]1CCCO1 72300385 LFPNZBHZHHZTRQ-KBPBESRZSA-N 334.420 1.422 0 40 EDAB CCS(=O)(=O)N1CCC(c2nnc([C@H]3CCCCN3)o2)CC1 77010825 KKWNZTJMEBZZQY-GFCCVEGCSA-N 328.438 1.413 0 40 EDAB Cc1cccn2cc(CNS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)nc12 95454378 VLVBFCYIGIKENZ-STQMWFEESA-N 338.433 1.086 0 40 EDAB Cc1nccn1CCCC(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 95402703 IIQIJAZITDRQDT-ZDUSSCGKSA-N 344.419 1.200 0 40 EDAB Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(C2OCCO2)O1 409299892 SUQJLOLSICDJSD-KYZVSKTDSA-N 327.336 1.181 0 40 EDAB CCCc1noc(CCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 78789528 GZBYDQQWTGMZGC-KGLIPLIRSA-N 336.436 1.012 0 40 EDAB Cc1ccc(C(=O)N2CCN([C@@H]3CCCN(C(C)C)C3=O)CC2)nc1 95998231 APHBAVMCQCGRGR-QGZVFWFLSA-N 344.459 1.547 0 40 EDAB CN(C)CCNS(=O)(=O)c1cc(Br)cc2c1OCC2 95939343 SHYUNDMALIOKPU-UHFFFAOYSA-N 349.250 1.224 0 40 EDAB CCCO[C@@H]1CCCN(C(=O)C2(NS(C)(=O)=O)CCCCC2)C1 95956163 GBCYRMWKERJARX-CQSZACIVSA-N 346.493 1.656 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCCN(C(=O)[C@H]2CCCO2)CC1 75017593 BKXDUCJJUVEXME-MRXNPFEDSA-N 334.391 1.608 0 40 EDAB O=C(CN1C(=O)CSc2ccccc21)N1CC(OCC(F)F)C1 75092752 DTBXOJSJWSKCEL-UHFFFAOYSA-N 342.367 1.618 0 40 EDAB C[C@H](NS(=O)(=O)N(C)C)[C@H](O)c1ccc(Br)cc1 89598501 LYPZQKWRJIBQCY-KWQFWETISA-N 337.239 1.267 0 40 EDAB Cc1cc(C)c(CCNC(=O)NCCCN2C(=O)CNC2=O)c(C)c1 89568714 AARZLEJHBFTSJB-UHFFFAOYSA-N 346.431 1.395 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)CC1 79492149 XQSBXGOCBKUQHO-INIZCTEOSA-N 345.447 1.001 0 40 EDAB Cc1ccc(NCCNC(=O)Cn2cc(-c3ccccc3)nn2)nn1 89652357 AFPSOINTUKNRJM-UHFFFAOYSA-N 337.387 1.272 0 40 EDAB C[C@@H](C(=O)NC[C@H]1CCCO1)N(c1ccccc1)S(C)(=O)=O 408908216 VSNQGWQAKUKISQ-GXTWGEPZSA-N 326.418 1.136 0 40 EDAB CCn1nc(C)c(CNC(=O)c2nc3ccccc3c(=O)n2C)c1C 32106630 YMHXDFYERRTKPZ-UHFFFAOYSA-N 339.399 1.697 0 40 EDAB O=C(c1ccno1)N1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 67897545 VCWNLVLFIZZTLZ-HIFRSBDPSA-N 345.330 1.066 0 40 EDAB biogenic,in-vitro Nc1cccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)c1 31343311 HREXQHZXEKRKSY-SFHVURJKSA-N 327.428 1.831 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)cc1 409276844 XARPODGKCZQSBQ-KHSSZTOVSA-N 327.336 1.181 0 40 EDAB NC(=O)Cn1cc(NC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)cn1 527984384 CVBMACWGUONOOC-GFCCVEGCSA-N 336.298 1.407 0 40 EDAB CC[C@H](NS(=O)(=O)c1c(C(=O)O)cnn1C)c1nccs1 530155910 ZRBFMVSVYFJJJL-QMMMGPOBSA-N 330.391 1.004 0 40 EDAB CC[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)c1nc(C)cs1 188425239 MRKMDECZEAPFNJ-MNOVXSKESA-N 333.404 1.985 0 40 EDAB CN1CCN(Cc2cccc(C(=O)NC[C@@H]3CCCC[C@H]3O)c2)CC1 73932606 FXQGLKLEOKLWPN-RBUKOAKNSA-N 345.487 1.715 0 40 EDAB Cc1nc2ccccc2c(C)c1C(=O)O[C@H](C)C(=O)N1CCNC1=O 32777629 YOVSUKWNANWLSY-GFCCVEGCSA-N 341.367 1.949 0 40 EDAB CCCc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)n[nH]1 77614478 TWMYCVICACQOFK-XJKSGUPXSA-N 327.388 1.915 0 40 EDAB Cc1noc(C)c1CCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 78988793 GOLVZDQYADRHSS-NSHDSACASA-N 348.325 1.296 0 40 EDAB O=C1CC[C@H](C(=O)N2CC[C@@H](CNc3cnc4ccccc4n3)C2)N1 1060827268 QICHVAYXKGCWFY-SWLSCSKDSA-N 339.399 1.169 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c1nc(N)n2Cc1c(Cl)cccc1Cl 72226865 XSAATILYDFAODD-UHFFFAOYSA-N 340.170 1.361 0 40 EDAB COc1ccccc1CC(=O)NCC(C)(C)N1CCS(=O)CC1 74135651 RRWAORDLQDDYAS-UHFFFAOYSA-N 338.473 1.197 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cc(C)cc(F)c2)C(C)(C)C1 181546860 CDFJEBRFWWWNST-UHFFFAOYSA-N 328.409 1.766 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)Cc1cccc(O)c1 78929372 VZNOOSVXSWUROU-GFCCVEGCSA-N 330.306 1.604 0 40 EDAB CCn1nccc1CN(C)C(=O)[C@H](C)n1cc2c(n1)c(C)nn2C 40715014 QVYJULTUMWNBGD-LBPRGKRZSA-N 329.408 1.514 0 40 EDAB Cn1ccc(C(=O)N2CC[C@H](c3ccc4sc(N)nc4n3)C2)n1 72368495 UBEPVCXUCISBFY-VIFPVBQESA-N 328.401 1.637 0 40 EDAB CCCCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)cc1 225957215 QHUSWUNQYPYIEH-HNNXBMFYSA-N 342.461 1.982 0 40 EDAB COCCCNC(=O)Cn1nc(-c2ccc(F)cc2OC)ccc1=O 44892638 JIHZHNLZPHXRKR-UHFFFAOYSA-N 349.362 1.211 0 40 EDAB CCn1nc(C)c(CNC(=O)[C@@H]2NCCOc3ccccc32)c1C 1578361860 XUNMJRSMNCGUFA-QGZVFWFLSA-N 328.416 1.859 0 40 EDAB Cc1ccc2nc(CN3CCO[C@@H](c4noc(C)n4)C3)cc(=O)n2c1 329533810 YHSUEKLBVVFEJF-CQSZACIVSA-N 341.371 1.268 0 40 EDAB CC1=CCN(CCNC(=O)N2CCC[C@H](N3CCCC3=O)CC2)CC1 576248363 FHZFFBZQVHPTMN-KRWDZBQOSA-N 348.491 1.825 0 40 EDAB COc1ccc(CN2CCO[C@H]3CN(C(C)=O)CC[C@H]3C2=O)cc1 96107166 COZLSWKBOZNUJQ-SJORKVTESA-N 332.400 1.291 0 40 EDAB Cc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C)nn3C)OCC(=O)N2C)cc1 96181415 CLMRAAIMONQTDQ-SJORKVTESA-N 342.399 1.574 0 40 EDAB Cc1cc2c(cc1C)[C@@H](C(=O)N1CCC(N(C)CC(=O)O)CC1)CO2 578357598 FODYBPRMAAEBNW-INIZCTEOSA-N 346.427 1.787 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1cnn(C)c1 96200651 LDOPNGKZECRRKV-HOTGVXAUSA-N 333.388 1.502 0 40 EDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)c3c(C)noc3C)C2)n1 97953660 ZENTUARDRLCVEN-YNEHKIRRSA-N 332.360 1.770 0 40 EDAB O=C(c1cnoc1)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1 96208523 SQLKMBUCAHZUEX-RHSMWYFYSA-N 328.372 1.945 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)CNc2ccc(-n3cccn3)cc2)C1 95417957 ZFDLNEJLTKFERG-INIZCTEOSA-N 341.415 1.411 0 40 EDAB O=C(Nc1n[nH]c(Cc2ccc(F)cc2)n1)c1[nH]nc2c1CCC2 95473541 OCQLOCWVTNJPFO-UHFFFAOYSA-N 326.335 1.999 0 40 EDAB Cn1cc(CN2CCc3c(cnc(NCC4CC4)c3C(=O)O)C2)cn1 96189234 LJJLPCHQQPKFDK-UHFFFAOYSA-N 341.415 1.894 0 40 EDAB O=C(N[C@H]1Cc2cccc(O)c2C1)N1CC[C@@H](CN2CCCC2)C1 579852891 HJADWUGXNCLKFI-HOCLYGCPSA-N 329.444 1.987 0 40 EDAB CC(C)(C)C(=O)NCC(=O)NCCc1nc(C(F)(F)F)cs1 96432832 CJKONMYYBYUDBM-UHFFFAOYSA-N 337.367 1.983 0 40 EDAB CC(C)CN1C[C@H]2CCN(C(=O)[C@@H]3CCCO3)CC[C@H]2S1(=O)=O 96145612 YZNQPXZYDXYCNN-QLFBSQMISA-N 344.477 1.074 0 40 EDAB O=C(c1cccc(Br)c1)N1CC(N2C(=O)CCC2=O)C1 238848600 IXSHKWQMKUOXDT-UHFFFAOYSA-N 337.173 1.423 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)cc1Br 96428061 MPOJMTKZALKAOR-SECBINFHSA-N 347.234 1.314 0 40 EDAB Cc1ncsc1-c1cc(C(=O)N2CCC[C@@H](C(N)=O)C2)ccn1 257320080 VVHJBTGBMRSJTB-GFCCVEGCSA-N 330.413 1.851 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257209117 BPCKQVFEVDUIFS-MRXNPFEDSA-N 345.374 1.724 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1csc(Cc2ccccc2)n1 257261697 LILDNLZPIVWILC-XNRPHZJLSA-N 332.425 1.738 0 40 EDAB Cc1nc(C(=O)NC[C@H]2C[C@H](C(=O)OC(C)(C)C)C[C@H]2O)c(C)o1 585087822 UVDUYCWHVQCXRM-YNEHKIRRSA-N 338.404 1.750 0 40 EDAB CN(C)c1ccc([S@@](C)(=O)=NC(=O)[C@@H]2CCc3nn[nH]c3C2)cc1 585134463 VBSWNNXHSNCNGI-YDGUKXNOSA-N 347.444 1.659 0 40 EDAB Cc1cc(NC(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)n(C)n1 585119594 MMEVBHODBQJLSW-UHFFFAOYSA-N 341.371 1.893 0 40 EDAB Cc1nccc(NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1 585132245 RCAFDIOWLIZWMG-UHFFFAOYSA-N 346.456 1.628 0 40 EDAB CC[C@H](NC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1)[C@@H](O)C(C)C 585132158 POWSHMFANOVSDR-AYDFFVQHSA-N 329.437 1.599 0 40 EDAB CC(=O)NCC(=O)N1[C@H](CNC(=O)OC(C)(C)C)CC[C@H](C)[C@@H]1C 585126285 VDHPLJYXIYGBDZ-OBJOEFQTSA-N 341.452 1.663 0 40 EDAB Cn1nc(C(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)cc1C(F)(F)F 257248110 JCDRQNHEZOGQAB-AAEUAGOBSA-N 333.310 1.195 0 40 EDAB O=C(CSC1CC1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 597926503 BPQZLRVJVVDUDA-GASCZTMLSA-N 344.436 1.526 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)CCCCCn2cccc2)CC1 604419620 KOHJPQNQWBRIAP-UHFFFAOYSA-N 327.450 1.152 0 40 EDAB Cc1oc(S(N)(=O)=O)cc1C(=O)NCc1ccc2ccccc2n1 390832986 ACLXNWHVIJMFFD-UHFFFAOYSA-N 345.380 1.714 0 40 EDAB O=S(=O)(c1cccnc1)N1CC(c2nc(-c3ccco3)no2)C1 96024314 SFWZEIBCAIBSBF-UHFFFAOYSA-N 332.341 1.513 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@@H](CNC(=O)c3cccnc3)CO2)C1 575405607 SORDXHJEBUCKCE-YCPHGPKFSA-N 343.427 1.475 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575402762 GUXJJAAGGOULMM-CQSZACIVSA-N 342.424 1.789 0 40 EDAB Cc1ccccc1CN1Cc2ccnn2[C@H](CCNS(C)(=O)=O)C1 585111852 CVNAXHCYEPPHLI-QGZVFWFLSA-N 348.472 1.688 0 40 EDAB Cc1cc(C(=O)N2CCC[C@]3(CCN3CC(=O)N3CCCC3)C2)no1 585102104 RQYXSXDWKLKYBC-SFHVURJKSA-N 346.431 1.286 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)Cn3cccn3)CCO2)c1 585276814 QSDGAHVORAOLTO-SFHVURJKSA-N 329.400 1.024 0 40 EDAB CNC(=O)c1ccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)c1 69532263 BSSRTFYSIXLNFG-LLVKDONJSA-N 334.420 1.779 0 40 EDAB O=C(CN1CCC[C@@H](C(=O)N2CCOCC2)C1)NC1CCCCC1 73350648 KQCCAAZVWHFKQN-OAHLLOKOSA-N 337.464 1.006 0 40 EDAB COc1cc(C)ccc1OCC(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 78895902 RDQIJVZKSSCBOM-HOTGVXAUSA-N 348.443 1.562 0 40 EDAB O=C(NCC(=O)N1CC[C@H](Oc2nccs2)C1)c1ccccc1 585320628 LUUVWWSSRGWKGE-ZDUSSCGKSA-N 331.397 1.553 0 40 EDAB O=C(NCC[C@H]1CCCC1(F)F)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1605775206 JGNFUHLTCGDHKH-SUNKGSAMSA-N 332.347 1.555 0 40 EDAB Cc1cc([C@H](C)NC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c(C)o1 1615588134 OHKRMMRYWVKGLB-ZMNCSTGQSA-N 348.403 1.635 0 40 EDAB CCn1cc(Br)c(C(=O)N[C@H]2CCC[C@H]2C(N)=O)n1 1615613469 AGVPASQNNYOHOZ-APPZFPTMSA-N 329.198 1.049 0 40 EDAB C/C(Cl)=C\Cn1c(SC[C@@H](C)O)nc2c1c(=O)[nH]c(=O)n2C 315545 ORNTXSUIPFLHRO-RXLGXGPVSA-N 344.824 1.039 0 40 EDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1nccs1 12114423 CBSZAHLHKCOHPE-HBBFGDNQSA-N 347.444 1.330 0 40 EDAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)N1CCCC1 12184410 WZAILIJMTJMHQD-UHFFFAOYSA-N 337.383 1.544 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2)cc1 17320271 HOOLGUYTQQELOV-UHFFFAOYSA-N 340.445 1.766 0 40 EDAB CC1(C)CN(C(=O)NCCC[C@H]2CCOC2)C[C@]2(CCOC2)O1 515460553 GOUQZLLYCWXVMS-YOEHRIQHSA-N 326.437 1.783 0 40 EDAB Cc1nc(C(=O)N2CC[C@@H](Oc3cncc(N(C)C)n3)C2)cs1 225398606 YVUZDXMAZLUXJQ-LLVKDONJSA-N 333.417 1.601 0 40 EDAB Cc1noc(C)c1CC(=O)N1Cc2cnc(N3CCOCC3)nc2C1 225634931 CUNWNROIUXSYNO-UHFFFAOYSA-N 343.387 1.003 0 40 EDAB CN(C1CCC2(CC1)CNC(=O)c1ccccc1O2)S(C)(=O)=O 19586642 GZSQVGIIQNDZDW-UHFFFAOYSA-N 338.429 1.382 0 40 EDAB Cc1cnc(C(=O)NC2CN(c3cc(C(F)(F)F)ccn3)C2)cn1 1888844388 RCXFUFYNSVLJQJ-UHFFFAOYSA-N 337.305 1.817 0 40 EDAB Cc1csc(=O)n1CCC(=O)NC[C@H]1COc2ccccc2O1 24836942 HJNNTHNCRNLGFL-LBPRGKRZSA-N 334.397 1.565 0 40 EDAB COc1ccc(N2C[C@H](NC(=O)NCc3cccnc3)CC2=O)cc1 4272624 WPHYAFKGWBHIFB-CQSZACIVSA-N 340.383 1.695 0 40 EDAB CCOC(=O)CCC(=O)NCc1nnnn1-c1ccc(Cl)cc1 9570812 ODTCSXYRKBXJCG-UHFFFAOYSA-N 337.767 1.275 0 40 EDAB CN(C1CCN(c2ccnc(C3CC3)n2)CC1)S(=O)(=O)C1CC1 2086889268 YXUUTRFSFHSZKT-UHFFFAOYSA-N 336.461 1.747 0 40 EDAB Cc1ccsc1CCC(=O)NCCOCCN1C(=O)CCC1=O 575620159 QATRKOBIECMPEV-UHFFFAOYSA-N 338.429 1.271 0 40 EDAB COCCNC(=O)N1CC[C@H](Oc2ncccc2Br)C1 238877358 OJUKYJWPHNJXEU-JTQLQIEISA-N 344.209 1.653 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC(Nc2ccncn2)C1 585149071 UHZOKURADAFRFB-UHFFFAOYSA-N 344.440 1.840 0 40 EDAB C[C@](O)(CNS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 77174558 YGBROZNCMDSPDW-AWEZNQCLSA-N 341.410 1.663 0 40 EDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21)Nc1ccccc1 100033021 ANPSMRSCUNPCAQ-CVEARBPZSA-N 349.350 1.619 0 40 EDAB CCC[C@@H](C)N(C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 30270386 ITWUGBZUVRABQR-GFCCVEGCSA-N 339.461 1.344 0 40 EDAB COc1ccc(CN(C)C(=O)c2ccn(C)c(=O)c2)c(OC)c1OC 30550484 LNKUVWRBDUAOQN-UHFFFAOYSA-N 346.383 1.683 0 40 EDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100506439 BCBJZCOPAMTHRP-WZRBSPASSA-N 334.397 1.136 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 69562312 SJDXDXUUCJYBQA-ZLDLUXBVSA-N 340.420 1.751 0 40 EDAB CN1N=C(C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)CCC1=O 69517092 GFXBENSVSBYLIM-HNNXBMFYSA-N 334.464 1.709 0 40 EDAB C[C@@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)[C@H]1CCCO1 40509183 FLHKEVZCFKRJRH-TZMCWYRMSA-N 344.419 1.024 0 40 EDAB O=C1O[C@@H](C(=O)Nc2cccnc2-n2cccn2)Cc2ccccc21 31951018 GPVZAVAQQXYFSA-OAHLLOKOSA-N 334.335 1.988 0 40 EDAB NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 3527913 XYQQEHKJFNRQQB-UHFFFAOYSA-N 330.340 1.257 0 40 EDAB CC(C)N1C[C@H](C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1=O 32243812 OXPUSHCTJMTWJC-GFCCVEGCSA-N 342.399 1.138 0 40 EDAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCOCC1 11867240 MDNDNVJFVWGPNO-UHFFFAOYSA-N 345.399 1.109 0 40 EDAB C[C@@H]1CN(c2ccc(CNc3ncnc4nc[nH]c34)cn2)C[C@@H](C)O1 52219325 CTKMLQRBYNSKTK-VXGBXAGGSA-N 339.403 1.974 0 40 EDAB CC(C)NC(=O)N1CCC[C@H](C(=O)Nc2ccc(N(C)C)nc2)C1 32913654 ZVFUYDJGDYWFCN-ZDUSSCGKSA-N 333.436 1.916 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3nnsc3Cl)CC2)on1 52964848 BZFWLBFNFGWSOY-UHFFFAOYSA-N 327.797 1.446 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 12196515 QLLFMCBCNPZPKD-HNNXBMFYSA-N 348.424 1.997 0 40 EDAB COc1cccc(-n2nnn([C@@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)c1 103001008 SWMDIWLUJASZTA-RTXFEEFZSA-N 334.357 1.062 0 40 EDAB biogenic CC(C)N(CCCNC(=O)CSc1ccccc1)S(C)(=O)=O 47043205 RCRXLPCANUSTQK-UHFFFAOYSA-N 344.502 1.955 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 54016740 AAGBXHHHXBPWJO-CHWSQXEVSA-N 349.435 1.475 0 40 EDAB Cc1noc(N)c1C(=O)OCC(=O)NCC1(c2ccccc2)CC1 42533054 AFCQVDQDESFKPB-UHFFFAOYSA-N 329.356 1.570 0 40 EDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)N1CCC[C@H](C)C1 104897380 LGFZMNJIVYXKOB-NGPAHMQLSA-N 326.418 1.225 0 40 EDAB CC(C)c1ccc(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 23743440 STCGFKRXKAFBBX-AWEZNQCLSA-N 331.459 1.666 0 40 EDAB O=C(C1=NO[C@@H]2C(=O)N(c3ccc(O)cc3)C(=O)[C@H]12)c1ccccc1 100354481 VAVQXZLQAOPAGV-CJNGLKHVSA-N 336.303 1.519 0 40 EDAB COc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)cn1 12523325 IZDICNWIFJYKFK-UHFFFAOYSA-N 349.412 1.434 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1C 106577640 SACOJTYIDQCCOY-STQMWFEESA-N 335.404 1.011 0 40 EDAB O=C(N[C@]1(C(=O)O)CCSC1)c1cc(Cl)c2c(c1)OCO2 43509595 FAAMDZDTUXGBER-CYBMUJFWSA-N 329.761 1.759 0 40 EDAB COCCOc1ccc(S(=O)(=O)N2C[C@H](C)N[C@@H](C)C2)cc1 109067002 ZFNWBPMUVOVEGS-STQMWFEESA-N 328.434 1.083 0 40 EDAB CC(C)(C(=O)N1CCN(CCc2cccs2)CC1)S(C)(=O)=O 71903832 DKUBNQXPMNHMQE-UHFFFAOYSA-N 344.502 1.258 0 40 EDAB CCNC(=O)C1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 27411026 KDDQQVGDLIYDSC-UHFFFAOYSA-N 328.416 1.351 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)CN(CCO)C3CC3)cc2)C[C@H](C)O1 58191656 WWGQIMNEHUZANZ-GJZGRUSLSA-N 347.459 1.695 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)Nc3cnc4ccccc4c3)cnc21 44896415 QSOURUUQJILOQQ-UHFFFAOYSA-N 348.366 1.707 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cnc(-c2ccccc2)nc1 58295673 GCIUZKQTAHYDFX-GFCCVEGCSA-N 331.397 1.308 0 40 EDAB O=C(CS(=O)(=O)[C@H]1CCCc2ccccc21)NC[C@H]1CCCO1 71972201 UKXHADPXUWPTAN-ZBFHGGJFSA-N 337.441 1.774 0 40 EDAB C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(CC(F)(F)F)CC1 45019335 AXYNYRNMEOYFLW-LLVKDONJSA-N 335.370 1.388 0 40 EDAB C[C@@H]1CN(CCNC(=O)CN2CCc3sccc3C2)C[C@@H](C)O1 28175012 XNCCHNBKUWHPGP-ZIAGYGMSSA-N 337.489 1.332 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)NC[C@H]1CCS(=O)(=O)C1 48251831 CJFFMQHMVKIBCD-GFCCVEGCSA-N 341.433 1.103 0 40 EDAB O=C1OCC[C@@H]1N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 48354801 WHJPGFZLIFBINJ-INIZCTEOSA-N 327.384 1.170 0 40 EDAB O=C(CCc1nccs1)N1CCN(C(=O)Cc2ccccn2)CC1 70037915 KCHMBVKQHOMTRK-UHFFFAOYSA-N 344.440 1.384 0 40 EDAB CCOC(=O)NCCNC(=O)Nc1cccc(N2CCCC2=O)c1C 69698630 IRFFEPUNUTWLFU-UHFFFAOYSA-N 348.403 1.989 0 40 EDAB C[C@H](NC(=O)c1ncoc1-c1cccs1)C(=O)N1CCOCC1 69658578 LSPCZLPQARCROI-JTQLQIEISA-N 335.385 1.380 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC(=O)c2cscn2)s1 69626000 GDEPRLZWYNGFTC-UHFFFAOYSA-N 332.384 1.110 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](C2OCCO2)C1 69321361 QASVXTOUFCMWET-LBPRGKRZSA-N 329.393 1.908 0 40 EDAB c1ccc(-c2nc(CN3CCO[C@H](Cn4cccn4)C3)no2)cc1 69376128 DVKKQFWWQPSPJZ-HNNXBMFYSA-N 325.372 1.834 0 40 EDAB COc1cc(C)nc(N2CCN(C[C@@H](O)c3ccccc3F)CC2)n1 69625462 XTWPVSMUOXEHLT-MRXNPFEDSA-N 346.406 1.788 0 40 EDAB CC(=O)c1cccc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)c1 8324157 XYXQULOHBNRSSM-UHFFFAOYSA-N 331.372 1.938 0 40 EDAB CON(C)C(=O)c1cnc2sc(Cc3ccccc3)cn2c1=O 69631510 CBAFBQCZGSDWDH-UHFFFAOYSA-N 329.381 1.980 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)N1CCO[C@@H]2CCCC[C@@H]21 65399450 NGTIMTBLXCUIEU-UONOGXRCSA-N 328.376 1.838 0 40 EDAB CCc1ncc(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)s1 65463299 HBENNFNKFTUMFV-UHFFFAOYSA-N 349.412 1.508 0 40 EDAB CCN1CCc2ccc(NC(=O)c3ccc(S(=O)(=O)NC)o3)cc21 65553685 RWFXQUPBUBTMDH-UHFFFAOYSA-N 349.412 1.822 0 40 EDAB CC(C)[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N1CCOCC1 25327387 LZOSWKQZZUBMFC-OAHLLOKOSA-N 344.415 1.010 0 40 EDAB C[C@H]1CN(CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C[C@@H](C)O1 14198011 JORSRHOAUSQGEM-BWACUDIHSA-N 335.379 1.659 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)OC)cc1 8880084 QEXWIIIUEBGECE-CYBMUJFWSA-N 343.401 1.339 0 40 EDAB CCc1ncc(C(=O)N2CCCN(Cc3nccn3C)CC2)s1 69892556 YHKIONSGNRHKSA-UHFFFAOYSA-N 333.461 1.787 0 40 EDAB CCS(=O)(=O)C[C@H](C)NC(=O)c1ccn(-c2cccc(F)c2)n1 69845288 CDRROSHVHNSMIT-NSHDSACASA-N 339.392 1.564 0 40 EDAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(C)c(=O)c2sccc21 6679522 AWFCJKCFRCVSSC-NSHDSACASA-N 335.429 1.553 0 40 EDAB O=C(O)Cc1c[nH]c(=O)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O 20156441 NRATZIBQVALMQD-UHFFFAOYSA-N 348.664 1.825 0 40 EDAB Cc1nnc2n1CCN(C(=O)CCCn1c(=O)oc3ccccc31)C2 69918866 DMRWOPBJIOEKHC-UHFFFAOYSA-N 341.371 1.317 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N1c3ccccc3C[C@H]1C)CC2 69969329 TVBAITIMTUUXJU-IUODEOHRSA-N 325.416 1.469 0 40 EDAB COCCN1CCC[C@H](OC(=O)[C@H](C(C)C)N2CCCC2=O)C1 69946458 OVWHXENIZAJEQS-HOCLYGCPSA-N 326.437 1.287 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc2[nH]c(=O)[nH]c2c1 15596119 VBVSSVOWVZKSHJ-UHFFFAOYSA-N 325.250 1.710 0 40 EDAB c1ccc(-n2ncc(CN3CCCN(C[C@@H]4CCCO4)CC3)n2)cc1 89857646 LALOMILZDBTAPA-IBGZPJMESA-N 341.459 1.954 0 40 EDAB O=C(O)c1ccc(-n2nnnc2SCC(=O)N2CCCC2)cc1 19853085 FGKSSUKJBXMXIS-UHFFFAOYSA-N 333.373 1.075 0 40 EDAB Cc1cn2nc(NCCCN3C(=O)NC4(CCCC4)C3=O)sc2n1 71810513 UIBVJDRQNVEGLM-UHFFFAOYSA-N 348.432 1.766 0 40 EDAB Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 71875040 IHOXSUAGIRKKQN-VXGBXAGGSA-N 346.460 1.935 0 40 EDAB CC[C@H](C)[C@@](C)(O)CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 72293161 AXNRPKQRISGBLA-DJJJIMSYSA-N 346.427 1.863 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CC2)C1 72234056 JZZQVNXVSPPNRM-DZGCQCFKSA-N 330.432 1.711 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1 97035172 AVNPJRPKALJMMK-MRVPVSSYSA-N 337.742 1.020 0 40 EDAB CS[C@@H]1CCCC[C@H]1NCc1cnc(N2CCN(C)CC2)nc1 97015951 SHYILRSBJUALSQ-HZPDHXFCSA-N 335.521 1.992 0 40 EDAB CCc1nc(CNc2cc(S(=O)(=O)N(C)C)cc(C)c2C)n[nH]1 97096571 YIHFNARCFHLGIL-UHFFFAOYSA-N 337.449 1.846 0 40 EDAB CC1(C)COC(=O)[C@@H]1OC(=O)Cn1cc(Br)ccc1=O 97001707 VLELBVVFEXNGIK-NSHDSACASA-N 344.161 1.106 0 40 EDAB CCc1cnc(C(=O)NCCNc2ncnc3c2cnn3C)s1 97115721 GBARTQWIZKLCPJ-UHFFFAOYSA-N 331.405 1.224 0 40 EDAB Cc1ccc(CN2C[C@@H](C(=O)Nc3c[nH]c(=O)cc3C)CC2=O)cc1 72312117 KMCARYWDMISHNF-HNNXBMFYSA-N 339.395 1.979 0 40 EDAB CC(C)c1noc(CCCNc2ncnc3c2cnn3CCO)n1 97200091 BHNBZEYAQPXGOM-UHFFFAOYSA-N 331.380 1.370 0 40 EDAB O=S(=O)(CCN1CCn2ccnc2C1)c1ccc(Cl)cc1 97201043 WFAMSXILDDRXHB-UHFFFAOYSA-N 325.821 1.826 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)Cc2nc3nc(C)cc(C)n3n2)C12CCC2 89985707 UPXBTMHNOAAQAL-UONOGXRCSA-N 343.431 1.748 0 40 EDAB CC1CCN(C(=O)CN(C)C2CCN(C[C@@H]3CCOC3)CC2)CC1 72664284 PMTQHYFNKKMGAV-KRWDZBQOSA-N 337.508 1.678 0 40 EDAB O=C(CN1CCCC[C@@H]1C1OCCO1)NCC(=O)c1cccs1 95394566 URBFFHSBLUKMLW-GFCCVEGCSA-N 338.429 1.274 0 40 EDAB CC(C)C(=O)NCCN(C)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 95453642 YPZMTBYPMYLHFE-QGZVFWFLSA-N 347.459 1.118 0 40 EDAB COC(=O)c1cnc(C(=O)N[C@H](C)c2c(F)cccc2OC)cn1 95456915 FJQDVRHWRDWRFZ-SECBINFHSA-N 333.319 1.902 0 40 EDAB COCCNC(=O)NC(C)(C)COc1ncccc1Br 95467180 LHUNDVNODZBYSM-UHFFFAOYSA-N 346.225 1.947 0 40 EDAB CCOC(=O)c1cnc(N2CCN(c3ccc(N)nc3)CC2)nc1C 95459923 QVXXYSKMZVOTMQ-UHFFFAOYSA-N 342.403 1.266 0 40 EDAB Cc1cc([C@H]2CCCN2C(=O)CN(C)c2ncnc3[nH]cnc23)on1 95954243 JKQINJFAXZALHH-LLVKDONJSA-N 341.375 1.449 0 40 EDAB CN(C)c1cccc(CNC2CCN(CCN3CCOCC3)CC2)c1 95967670 VHGJSHSHKQEUHL-UHFFFAOYSA-N 346.519 1.639 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)n1 78889951 MGIFLRRIQPZOJH-CYBMUJFWSA-N 330.392 1.571 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ccc(-c3nnn[nH]3)cc2)c(C)c1 74803997 JCZRAUNBJTYNSB-UHFFFAOYSA-N 345.384 1.985 0 40 EDAB CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 89368796 GKAHJVRJFRGUFE-QPUJVOFHSA-N 344.820 1.151 0 40 EDAB O=C(CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O)NC[C@@H]1CCCO1 75076726 QTWDYSKMKLQHHN-HIFRSBDPSA-N 348.374 1.039 0 40 EDAB C[C@H](O)CN1CCC(CNCc2nnc(-c3ccccc3)o2)CC1 75131190 CYBHOORQHHCZFU-AWEZNQCLSA-N 330.432 1.919 0 40 EDAB C[C@@H](O)CN1CCN(C[C@@H](O)c2ccccc2C(F)(F)F)CC1 75132635 HEKSZAGDUOZLMW-IUODEOHRSA-N 332.366 1.737 0 40 EDAB COc1ccc(C(C)=O)cc1CC(=O)NCc1n[nH]c(=S)n1C 75134564 YEDZMJQIPFYUHS-UHFFFAOYSA-N 334.401 1.548 0 40 EDAB Cn1c(N2CCC[C@H]2c2cccs2)nc2c1c(=O)[nH]c(=O)n2C 68659529 DDGYFHRTNYOTSF-VIFPVBQESA-N 331.401 1.363 0 40 EDAB CCO[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 71825556 AZMLHACVZZYEEM-ZDUSSCGKSA-N 337.420 1.269 0 40 EDAB C[C@@H]1CC[C@H](NC(=O)Cc2cncn2C)CN1C(=O)c1ccns1 1018278854 WLASLCRYADVBAI-NEPJUHHUSA-N 347.444 1.229 0 40 EDAB CS(=O)(=O)N(Cc1noc(CCC(=O)O)n1)c1cccc(F)c1 78400927 ICYZYIZMSPKLIX-UHFFFAOYSA-N 343.336 1.192 0 40 EDAB COCC(=O)N1CC[C@@H](c2cc(Nc3ncccn3)nc(C)n2)C1 72382711 UVKOYUJRXYWUTC-GFCCVEGCSA-N 328.376 1.281 0 40 EDAB Cc1cccc(C[C@@H](CC(=O)NCCN2CCOCC2)C(=O)O)c1 71405915 OIBVHRBFZWTDNN-INIZCTEOSA-N 334.416 1.077 0 40 EDAB Cc1cc(Cl)cc(C(=O)N2CCO[C@H](CN(C)CC(=O)O)C2)c1 566224935 LWMCLBXGEIOEMY-CQSZACIVSA-N 340.807 1.506 0 40 EDAB CCCn1nc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)ccc1=O 32776042 ANBJXCPCQQSSMO-SNVBAGLBSA-N 334.332 1.134 0 40 EDAB O=C(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1ccc(N2CCOCC2)cc1 238812886 ASQXZQNAAUGYIR-NXHRZFHOSA-N 346.427 1.590 0 40 EDAB Cc1noc(CN2CCN(C(=O)CCn3ccnc3C(C)C)CC2)n1 73232582 BEJFUPRUCGMYER-UHFFFAOYSA-N 346.435 1.432 0 40 EDAB O=C(NCC1CCN(c2ncccn2)CC1)c1ccc2c(c1)OCO2 43977014 HNJNEBVKMUZGIH-UHFFFAOYSA-N 340.383 1.852 0 40 EDAB COc1cc(C)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C2(F)CCCC2)n1 1062542690 HNCOQLMWEGJIFJ-STQMWFEESA-N 334.395 1.865 0 40 EDAB CC1(C)CN(CCNS(=O)(=O)c2cc(F)ccc2F)CCO1 188103717 SVQUTJAXNLOZGE-UHFFFAOYSA-N 334.388 1.354 0 40 EDAB O=C(NC1CCN(C(=O)c2cnccn2)CC1)c1cc(F)cc(F)c1 76623387 UTXQXTQIPQICNH-UHFFFAOYSA-N 346.337 1.789 0 40 EDAB Cc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@]32NC(=O)c3ccccc3N2)cn1 72327453 PKVUSFNXLNWUNH-GFJSAUFNSA-N 349.394 1.714 0 40 EDAB O=C(NCCc1c[nH]c2ncccc12)N1CCO[C@]2(CCCOC2)C1 570305122 HDLNULFPEZXTKU-GOSISDBHSA-N 344.415 1.696 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ncc(C(=O)O)cn1 571566283 PXWBJQNBPJQSDL-JTQLQIEISA-N 335.385 1.776 0 40 EDAB Fc1ccccc1-c1nnc2ccc(NCC3CCNCC3)nn12 572348383 CKTMBFRHVTZBIK-UHFFFAOYSA-N 326.379 2.342 0 40 EDAB O=C(c1cccnc1)N1CCC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048378 ZKQKCNVZWFAJIM-QAPCUYQASA-N 339.399 1.747 0 40 EDAB O=C(c1cnccn1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 96186748 GOTXFTRDZNZLIF-PVAVHDDUSA-N 340.383 1.713 0 40 EDAB CCn1nc(C)cc1NC(=O)c1cccc(OCc2nnnn2C)c1 96101331 YDHYRNRSVAIQNH-UHFFFAOYSA-N 341.375 1.566 0 40 EDAB CCOCc1ncn2c1CN(C(=O)c1ccc3c(c1)OCO3)CC2 96260152 PHETUKFKHITLKP-UHFFFAOYSA-N 329.356 1.804 0 40 EDAB CNc1nc(C(=O)NCc2ccccc2N2CCN(C)CC2)cs1 95977184 HNPOOZRFUOPPKC-UHFFFAOYSA-N 345.472 1.867 0 40 EDAB Cc1nc[nH]c1CN1CCC2(CC1)C[C@@H](Nc1ncccn1)CO2 96224787 XTWZGPXNTUDTHM-CQSZACIVSA-N 328.420 1.744 0 40 EDAB COC(=O)COc1cccc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)c1 95474539 VOWZBUAAALYTQZ-CYBMUJFWSA-N 343.335 1.676 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CCOCC1 96065794 DWWPWDDTTIQNHC-GVDBMIGSSA-N 347.415 1.292 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1)c1ccc(F)cc1 238834977 GOJOKSFBTUZTBP-DGCLKSJQSA-N 329.375 1.902 0 40 EDAB CNC(=O)c1cccc(C(=O)N[C@H](C[S@](C)=O)c2ccccc2)c1 96445451 XZCPZESHVZWFRO-VOIUYBSRSA-N 344.436 1.896 0 40 EDAB COc1ccc(-c2nn([C@H](C)C(=O)NC3CC3)c(=O)cc2OC)cc1 96101034 QBWJYGWEDVGZAC-LLVKDONJSA-N 343.383 1.767 0 40 EDAB CCOC(=O)[C@]12CCCN(C(=O)c3ccoc3)C[C@H]1CN(C(C)=O)C2 96083036 VTPVAINQWRPKET-YJBOKZPZSA-N 348.399 1.543 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)cc3F)C2)cn1 96410801 MGEDPDUJONEIGZ-LLVKDONJSA-N 349.341 1.032 0 40 EDAB CO[C@@H](C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)c1ccccc1 92525946 XKJGAFRUUXVZIW-MRXNPFEDSA-N 338.367 1.897 0 40 EDAB O=C(O)CN(CC1CC1)C1CC(NC(=O)[C@H]2C[C@@H]2c2cccnc2)C1 583622826 BJFUWMGILVGJQP-BACDZXNISA-N 343.427 1.629 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1CC[C@H](CN2CCOCC2)C1 96428468 JMOWRPJRQURLEK-CQSZACIVSA-N 342.436 1.477 0 40 EDAB Cc1cnc(NC(=O)c2ccccc2OCc2nnnn2C)s1 96101385 JQEGIEPRJYGXJT-UHFFFAOYSA-N 330.373 1.806 0 40 EDAB CNC(=O)c1cnn2c([C@H]3CCCN3C(=O)C(C)(C)C)ccnc12 257322357 WFRMXNJXOSLAQD-GFCCVEGCSA-N 329.404 1.799 0 40 EDAB CCC(=O)c1ccc(N2CCC[C@@H]2C[C@@H](C)O)c(S(N)(=O)=O)c1 252497948 QRVGDUGURDSQLO-DGCLKSJQSA-N 340.445 1.666 0 40 EDAB CO[C@H]1COCC[C@@H]1N1CCN(C(=O)c2c(C)cccc2C)CC1 585088017 HGMQNVPXGOZCLH-IRXDYDNUSA-N 332.444 1.865 0 40 EDAB NS(=O)(=O)CCCCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 585137116 JESXLTREASWVIP-VHSXEESVSA-N 345.387 1.475 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)c3ccon3)CC2)cn1 257279936 OIUAHOALWYZLTH-UHFFFAOYSA-N 329.404 1.621 0 40 EDAB Cn1nc(N)c2ccc([C@@H]3CCCN(CC4(O)CCOCC4)C3)nc21 257338998 YZUXZSAZKDFCFO-CYBMUJFWSA-N 345.447 1.271 0 40 EDAB CS(=O)(=O)N1CCC(N2CCC(Cc3ccncc3)CC2)CC1 257226101 FJDWUBQBWDYVBW-UHFFFAOYSA-N 337.489 1.760 0 40 EDAB CNC(=O)[C@@]1(CC2CCN(C(=O)OC(C)(C)C)CC2)CCCN1 257199633 AAFBACSFBAOOGK-KRWDZBQOSA-N 325.453 1.892 0 40 EDAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1nccs1)C2 253494971 ZMEBYQHCGAVXLN-GFCCVEGCSA-N 345.490 1.063 0 40 EDAB CN(C)[C@H]1CC2(CCN(C(=O)c3ccsc3)CC2)OC[C@]1(C)O 257297751 RIRQAMCKTZXRGX-HOCLYGCPSA-N 338.473 1.824 0 40 EDAB CN(C)c1cc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)ccn1 257256745 KMSYTYHLIRQCCI-HNNXBMFYSA-N 338.477 1.668 0 40 EDAB COc1ccc2c(O)nc(C3CCN([C@H]4COC[C@@H]4O)CC3)cc2c1 257226540 FLBDQUMSDGBUNX-ROUUACIJSA-N 344.411 1.888 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 257245269 IOSLZHZKLFFARU-QGZVFWFLSA-N 346.475 1.922 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@H](c2nccnc2NC)C1 257302523 SDFKPHJWMGOKKN-JTQLQIEISA-N 334.405 1.146 0 40 EDAB CC(C)(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCC2CC2)n1 604382641 WNLUFNZTIYVIND-QBPKDAKJSA-N 333.476 1.674 0 40 EDAB biogenic,in-vitro CC1([C@@H]2CCCN(c3nnnn3CCc3ccco3)C2)OCCO1 1616032621 RVGKWMBEMBFCGP-CYBMUJFWSA-N 333.392 1.488 0 40 EDAB Cc1ccccc1O[C@@H](C)Cn1nnnc1N(C)C[C@H]1COCCO1 1616031974 CDUXWVPEYWGCBT-GJZGRUSLSA-N 347.419 1.301 0 40 EDAB Cn1cc(N2CC[C@H](N3CCC(F)(c4ccccn4)CC3)C2=O)cn1 289377400 PQVQPFAUTIXATB-HNNXBMFYSA-N 343.406 1.881 0 40 EDAB COCC1(NC(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CCC1 284960733 WOSGCQOZHPNUTF-UHFFFAOYSA-N 332.364 1.362 0 40 EDAB N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncc(F)cn3)C2)cc1 390829109 WSPQHGJWLDQKKZ-CYBMUJFWSA-N 348.359 1.329 0 40 EDAB Cn1cc(-c2noc(CNC(=O)c3cccc(-n4cccn4)c3)n2)cn1 390830087 IPOISCIQAARASY-UHFFFAOYSA-N 349.354 1.586 0 40 EDAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cc[nH]n2)C3)n1 575403403 HZIKIBRUONZJLQ-OAHLLOKOSA-N 342.399 1.704 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccn1C 575404929 WAJOXOKKPUNGRN-RBSFLKMASA-N 345.443 1.419 0 40 EDAB COC[C@H]1Cc2c(ncn2C)CN1C(=O)c1cccc2c1OCCO2 585094703 IOIXHJCMGYFQCC-GFCCVEGCSA-N 343.383 1.405 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2ccc(C)cn2)Cc2cccn2C1 585099058 HBUTUMSYMUFBFQ-CQSZACIVSA-N 326.400 1.600 0 40 EDAB Cc1ccc(OC[C@]2(O)CCN(C(=O)CCN3CCCC3=O)C2)cc1 585271453 GSUNPISSWGLQRI-IBGZPJMESA-N 346.427 1.350 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)c2cccc(O)n2)C1 585275315 AKCUKLOKCRLJSG-GOSISDBHSA-N 328.368 1.752 0 40 EDAB Cc1ncc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)s1 677239716 YPULCQNFJFETEI-UHFFFAOYSA-N 329.447 1.131 0 40 EDAB COc1ccc(OC)c(CCNC(=O)NCC(=O)NC(C)(C)C)c1 54757397 RXJXNTWUQIYGRV-UHFFFAOYSA-N 337.420 1.460 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NC(=O)CC[C@H]2CCCO2)c1 69370242 YBZDCUBTIOWCMD-GFCCVEGCSA-N 341.385 1.237 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)n1 69518202 BMELYOLCDUVWMY-ZIAGYGMSSA-N 342.399 1.921 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCC(=O)N1CCCC1 69554263 GHEACFGYCCQFJU-UHFFFAOYSA-N 338.429 1.141 0 40 EDAB C[C@H](C(=O)N1CCc2ccccc21)[S@](=O)Cc1nnnn1C1CC1 71859151 XONWPSCUNSVQON-JNDILOIQSA-N 345.428 1.235 0 40 EDAB NS(=O)(=O)CCN1CCN(Cc2ccc(-c3ccccc3)o2)CC1 93740909 KZXLNBKYOHMAEC-UHFFFAOYSA-N 349.456 1.353 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](O)c2ccccc2)CCC12CCOCC2 1615550943 VXWVUOAPOCNBNQ-QGZVFWFLSA-N 346.427 1.350 0 40 EDAB O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1NC1CCCC1 1549161060 JRTKMPLVZSTHTG-RCCFBDPRSA-N 346.406 1.745 0 40 EDAB Nc1cccc2c1C(=O)N(CC(=O)NCc1ccccc1Cl)C2=O 12610251 VWFKMHSMSYEMHG-UHFFFAOYSA-N 343.770 1.835 0 40 EDAB C[C@@H](NC(=O)[C@@H](O)CN1CCCCC1)[C@@H]1COc2ccccc2O1 13511597 LQMCJXNMRPKICH-KEYYUXOJSA-N 334.416 1.178 0 40 EDAB COc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1 16400230 SHVQYSPVDLQQNA-QGZVFWFLSA-N 343.339 1.694 0 40 EDAB O=C(NCCn1nc(-c2cccs2)oc1=O)c1cc(C2CC2)on1 19344766 KTYSGVYPAFQHSS-UHFFFAOYSA-N 346.368 1.860 0 40 EDAB CC(C)C(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cnn(C)c2)C1 19693748 UFHACUFKIKXWJD-CYBMUJFWSA-N 342.447 1.915 0 40 EDAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2Cc1cnc(N(C)C)nc1 19712371 ROYBAZXFRZPBTR-DLBZAZTESA-N 331.464 1.908 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@H](n3ccnn3)C2)cc1Cl 206935268 NZAVGAFKDDAWAV-JTQLQIEISA-N 342.808 1.576 0 40 EDAB Cc1ncsc1C(=O)N1CC[C@@H](Oc2ccc(N(C)C)nn2)C1 225448029 BFSWXPIDFIZPKI-LLVKDONJSA-N 333.417 1.601 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 607855279 FYXKBVNFELMVEX-MRXNPFEDSA-N 336.355 1.475 0 40 EDAB C[C@H]1c2cccn2CCN1Cc1nnc2n(C)c(=O)c3ccccc3n12 21579468 YQEOKEFCAYIMGZ-ZDUSSCGKSA-N 348.410 1.960 0 40 EDAB Cc1nn(CC(=O)N2CCCC2)c(=O)c2c1cnn2-c1ccccc1 12227841 RIVJYLCEQJZZRI-UHFFFAOYSA-N 337.383 1.513 0 40 EDAB Cc1csc(C(=O)N2CC3(CCN3C(=O)c3cnn(C)c3)C2)c1 2055746247 FOFCORQXKPKDQN-UHFFFAOYSA-N 330.413 1.531 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCC1(N2CCOCC2)CCC1 1775974092 KXKIICXROGMIDA-HWKANZROSA-N 344.411 1.800 0 40 EDAB COc1ccc(/C=C/C(=O)NC[C@H](O)CCSC)cc1OC 1775968613 HDJIDBQKWQGKJW-VUDGCMKMSA-N 325.430 1.947 0 40 EDAB COc1c2ccc(C(=O)N3CC(Oc4nccs4)C3)cc2nn1C 206919970 UEJFCCXGYKXWID-UHFFFAOYSA-N 344.396 1.942 0 40 EDAB COc1ccc(OCc2noc(CNC(=O)c3ccccn3)n2)cc1 49027433 BZVVEYYYRVVTBH-UHFFFAOYSA-N 340.339 1.982 0 40 EDAB C[C@](O)(CNS(=O)(=O)Cc1cccc(F)c1)Cc1ccco1 206617840 HIWINJIRSLFNPS-OAHLLOKOSA-N 327.377 1.832 0 40 EDAB Oc1cc(C2CC2)nc(N2CCN(c3ccn4nccc4n3)CC2)n1 2298076095 IXXFJKQPJFJIOS-UHFFFAOYSA-N 337.387 1.429 0 40 EDAB CCC[C@H](C)N(C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 30270388 ITWUGBZUVRABQR-LBPRGKRZSA-N 339.461 1.344 0 40 EDAB CCOc1ccc(-n2ncc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2C)nn1 40487966 DFWMRDXGDKDRPB-RYUDHWBXSA-N 345.403 1.619 0 40 EDAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@H](C)Cn1cccn1 31389166 BZXGHRWHSYZGCR-GFCCVEGCSA-N 331.372 1.678 0 40 EDAB CCOc1ccc(Cl)c(C(=O)N2CCN(C[C@H](O)CC)CC2)n1 70017790 ASGJEMKBHGUKNW-GFCCVEGCSA-N 341.839 1.662 0 40 EDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)Nc1cccs1 69570556 LMPYZKAADQWUDS-UHFFFAOYSA-N 339.442 1.989 0 40 EDAB C[C@@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)[C@@H]1CCCO1 40509179 FLHKEVZCFKRJRH-OCCSQVGLSA-N 344.419 1.024 0 40 EDAB C[C@H]1CN(CCNC(=O)c2cnn(C)c2-n2cccc2)C[C@H](C)O1 40521156 CBEKEBFDTZFAJE-KBPBESRZSA-N 331.420 1.050 0 40 EDAB COCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cn1 40512049 RNBJTNZAVDLIEN-ZDUSSCGKSA-N 333.388 1.304 0 40 EDAB O=C(CS(=O)(=O)c1cccs1)Nc1ccc2c(c1)OCO2 11666471 NVLCCMZMGIYPHL-UHFFFAOYSA-N 325.367 1.889 0 40 EDAB CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(N)=O)nnc12 3375560 FFTSBFAFJYNMCZ-VIFPVBQESA-N 331.401 1.420 0 40 EDAB COc1cc([C@@H]2CC(=O)Nc3c2c(=O)nc(SC)n3C)ccc1O 4519908 FVIUYTWMYUCNHY-VIFPVBQESA-N 347.396 1.691 0 40 EDAB CCS(=O)(=O)N(C)CC(=O)/N=c1/ccccn1Cc1ccccc1 101479550 AYTQEFMHHMXMIN-VLGSPTGOSA-N 347.440 1.245 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 6933916 ZOQVALLMDCZWFS-MNOVXSKESA-N 344.433 1.285 0 40 EDAB CO[C@H]1CCCN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 76551950 UFLZTCDMMJPZRL-INIZCTEOSA-N 347.463 1.154 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101381247 FIERBIPPSYHFNK-UTUOFQBUSA-N 328.409 1.907 0 40 EDAB COC(=O)[C@@H](CC(C)C)OC(=O)c1ccc(N2CCNC2=O)cc1 71913706 ZPFUWTCHFAOONX-CQSZACIVSA-N 334.372 1.961 0 40 EDAB CCCn1nnnc1COC(=O)CCc1nc(-c2ccsc2)no1 22018626 GOLJGZNBMNXAKX-UHFFFAOYSA-N 348.388 1.871 0 40 EDAB CN1CCN([C@@H](c2ccccc2)c2sc3ncnn3c2O)CC1 22031121 KWKHYUBTCFYNHG-ZDUSSCGKSA-N 329.429 1.833 0 40 EDAB C[C@@H](c1nnnn1-c1ccccc1)N1CCN(c2ncccn2)CC1 41626301 PTWCUUOLGGFTPI-AWEZNQCLSA-N 336.403 1.336 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)N(C)Cc2nnc3n2CCC3)c1 46787677 ZXYBEQRJYMPVBM-ZDUSSCGKSA-N 344.415 1.797 0 40 EDAB CC[C@@H](C)[C@@H](CO)Nc1ncnc2c1c(Br)nn2C 71920885 YZIATCNYQFSOQN-HTQZYQBOSA-N 328.214 1.945 0 40 EDAB Cn1c(=O)n(CC(=O)N(C[C@@H]2CCOC2)C2CC2)c2ccccc21 46938827 IKLPPBKFONFWET-ZDUSSCGKSA-N 329.400 1.368 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)NCCc1cnn(C)c1 46988050 WDUUVYJFSBUKCU-UHFFFAOYSA-N 330.388 1.575 0 40 EDAB O=C(NC[C@H]1CCOC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 47067814 KEPILBPQDZUHDQ-OAHLLOKOSA-N 347.415 1.279 0 40 EDAB CN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(C)(=O)=O 41950433 GWFHFQUEEOPBOZ-UHFFFAOYSA-N 337.401 1.353 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)CCNC(=O)c2cccc(C)c2)C1 22407649 NPAYAMHKELWJBU-INIZCTEOSA-N 346.427 1.917 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCC2CC2)c(Br)s1 37465671 DCJIFMJEYCMXFW-UHFFFAOYSA-N 340.220 1.897 0 40 EDAB C[C@@H](C(=O)Nc1nccs1)N1CCC(c2ccnn2CCO)CC1 58290023 GCKMULXAJNAAAV-LBPRGKRZSA-N 349.460 1.539 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)[nH]n1 54132035 HGESFPKVBOFQPF-UHFFFAOYSA-N 342.399 1.447 0 40 EDAB Cc1ccc(CNC(=O)CSCC(=O)Nc2cc(C)on2)cn1 47556641 RAJIGVMJQDLQEE-UHFFFAOYSA-N 334.401 1.675 0 40 EDAB CC(=O)N1CCC(NC(=O)c2cn(-c3ccc(C)cc3)nn2)CC1 42952873 JVUUTJCTUZSUBG-UHFFFAOYSA-N 327.388 1.316 0 40 EDAB CCOc1cc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)ccc1OC 24303608 HDANKXPAEYWLSV-ZDUSSCGKSA-N 338.360 1.470 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nc(N)nc(N(C)C)n2)c1C 24886381 FUACXLSIYSMSBH-UHFFFAOYSA-N 332.364 1.024 0 40 EDAB O=C(NCCOC(=O)c1ccc(-n2cccn2)cc1)c1ccncc1 56217189 CRESDGVCUUXRIK-UHFFFAOYSA-N 336.351 1.854 0 40 EDAB O=c1c(NC2CC2)c(N2CCN(c3ccc(Cl)cc3)CC2)c1=O 108454735 SAXXXHLHEIOAOG-UHFFFAOYSA-N 331.803 1.837 0 40 EDAB O=C(O)c1sccc1S(=O)(=O)NC[C@H](O)c1ccccc1 35600734 NAPNDZBRGBTPMO-JTQLQIEISA-N 327.383 1.458 0 40 EDAB in-vitro O=C(NCCc1cccnc1)NCc1ccc(N2CCOCC2)nc1 27340886 QBTNZBIQMIHZMC-UHFFFAOYSA-N 341.415 1.355 0 40 EDAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NC(C)C)c1 22229567 HKIKFVZYIQHHAS-CQSZACIVSA-N 340.445 1.681 0 40 EDAB COc1cc(C(=O)N[C@H](C)c2ccncc2)ccc1OCC(N)=O 27406624 UTVQJOQINJRRHB-LLVKDONJSA-N 329.356 1.445 0 40 EDAB Cc1cccc(CCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 58179616 XUTYXDZDXKIPOH-UHFFFAOYSA-N 345.424 1.151 0 40 EDAB CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN(C)CC2)cc1Cl 69418800 GFXDPPVAPLEOME-UHFFFAOYSA-N 349.815 1.374 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 48097340 ACBPMRHIUOPXTH-ZDUSSCGKSA-N 346.431 1.959 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)NC[C@@H]1Cc2ccccc2O1 48189053 DQLUYWAQUQFQPH-AWEZNQCLSA-N 337.441 1.854 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3cnn(-c4ccccc4)n3)CCO2)c1 69451557 BBMALYKWKZPNAH-GOSISDBHSA-N 338.415 1.673 0 40 EDAB Cc1c(O[C@H](C)C(=O)NCC(=O)O)ccc2c3c(c(=O)oc12)CCC3 2100811 OXJHJQOKTYQZGP-SNVBAGLBSA-N 345.351 1.558 0 40 EDAB biogenic CN(Cc1cnn(-c2ccccc2)n1)C(=O)NCCN1CCCC1 58210079 DNLMGTAITFSVAO-UHFFFAOYSA-N 328.420 1.505 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)COc1ccc(F)cc1F 58295716 HMJCPDROJLSWPM-UHFFFAOYSA-N 330.331 1.985 0 40 EDAB O=C(c1ccoc1)N1CCC(NC[C@@H]2CNc3ccnn3C2)CC1 58299046 SYMRZCHWHPVHDK-CYBMUJFWSA-N 329.404 1.412 0 40 EDAB Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H]1CCCNC1=O)C(C)C 58201972 XQHGJRRQZZZCEM-LSDHHAIUSA-N 331.416 1.144 0 40 EDAB CCn1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c2ccccc21 44908124 VVOMEZZRYSMWAX-UHFFFAOYSA-N 349.456 1.815 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](CC)C2)cc1 44910713 KWTCYTLRSVIRFZ-CYBMUJFWSA-N 327.402 1.663 0 40 EDAB COc1nccnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 69442012 KMKVTAWUZLMMGK-CQSZACIVSA-N 333.436 1.008 0 40 EDAB CCOc1cc(C(=O)OCC(=O)N2CCOCC2)cc(Cl)c1O 3343937 LDRMOHAITOAZGP-UHFFFAOYSA-N 343.763 1.460 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 58428691 NVBLPWPJNXUMCF-UHFFFAOYSA-N 326.418 1.328 0 40 EDAB Cc1csc([C@]2(O)C(=O)N(Cc3ccccc3)C[C@@H]2C(=O)O)n1 36379773 URQDNBNFAAJOQU-WBMJQRKESA-N 332.381 1.382 0 40 EDAB in-vitro Cc1ccc([C@H](CNC(=O)NCC(F)(F)F)N2CCOCC2)o1 48285384 ONFWJCPMVKZYOZ-NSHDSACASA-N 335.326 1.823 0 40 EDAB CCOc1ncccc1NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 48201074 OLHJVSJOOCEYDD-AWEZNQCLSA-N 348.403 1.335 0 40 EDAB CCN(CC)S(=O)(=O)NCc1ccnc(N2CCCCC2)c1 48299459 LXTSIDIQOCWNBB-UHFFFAOYSA-N 326.466 1.748 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc(OCC(F)(F)F)cc1 89904851 LPWZZXKGPVWRBH-KCJUWKMLSA-N 331.294 1.486 0 40 EDAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CNC(=O)[C@H]2C[C@H]2C)c(C)c1 12934739 NKZQZQDCESWNCM-DOMZBBRYSA-N 345.443 1.781 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)Cn1nc(-c2ccccc2)ccc1=O 48678699 OWGKDEBGNSOOHO-MRXNPFEDSA-N 340.427 1.511 0 40 EDAB Cc1nc(COc2cccc3cccnc23)[nH]c(=O)c1CC(=O)O 217391281 COPFECQXUZQPIQ-UHFFFAOYSA-N 325.324 1.833 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC1 69895032 XEIJOHKFQHEPRR-UHFFFAOYSA-N 329.400 1.057 0 40 EDAB O=C(N[C@@]1(C(F)(F)F)N=C2SCCN2C1=O)c1cccnc1 4452604 MVRJMXGHRGBKHA-LLVKDONJSA-N 330.291 1.015 0 40 EDAB O=C(C1=Cc2ccccc2OC1)N1CCCN(c2cccnn2)CC1 69947044 IAIHDGWGADOWOC-UHFFFAOYSA-N 336.395 1.991 0 40 EDAB COC[C@@H](C)NC(=O)N1CCN(Cc2cn3ccccc3n2)CC1 65454215 STRAOWRJAOXXBL-CQSZACIVSA-N 331.420 1.196 0 40 EDAB CN(CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)C1CC1 65405896 OXJQPPKALFFEEA-NSHDSACASA-N 337.370 1.528 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)NCc2nnc3n2CCCCC3)c1C 14093708 JRQMBPFTMRQDDJ-UHFFFAOYSA-N 345.403 1.666 0 40 EDAB CN(CCNC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)C1CC1 65552496 UTRAWZCISDZLNH-UHFFFAOYSA-N 331.416 1.354 0 40 EDAB COCC(=O)NCc1cccc(OCCN(C)C2CCOCC2)c1 65554208 KMPKHALIDYZPIO-UHFFFAOYSA-N 336.432 1.439 0 40 EDAB CN(CCOc1ccccc1F)C(=O)c1cnc2n(c1=O)CCS2 14120452 XTGLVBLYMUCJLT-UHFFFAOYSA-N 349.387 1.639 0 40 EDAB COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc(OC)cc1 5426884 UINSQUGYGVQSCJ-GFCCVEGCSA-N 343.339 1.076 0 40 EDAB O=S(=O)(c1ccc(Br)cc1)N1CCN2CCC[C@@H]2C1 14223609 LXXOZIUJSDTOPH-GFCCVEGCSA-N 345.262 1.918 0 40 EDAB O=C1OCC[C@@H]1Sc1nnnn1-c1ccc(OC(F)(F)F)cc1 5796846 OJRGXFUUAWHGMZ-VIFPVBQESA-N 346.290 1.969 0 40 EDAB CCc1ccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 67557440 PAOGHRISJIDSSK-AWEZNQCLSA-N 325.434 1.795 0 40 EDAB C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC(C)(C)O1 71185101 NYDKPCIRPQGXNK-SNVBAGLBSA-N 347.371 1.096 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)N(CCN(C)C)Cc1cccc(F)c1 68313553 BKWYVEVGEIYDPL-YOEHRIQHSA-N 349.450 1.878 0 40 EDAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccccc1C(=O)OCC 7990093 JWURVZUYRZOSQN-MDZDMXLPSA-N 349.339 1.464 0 40 EDAB C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1ccccc1 16410807 YKBWHMXRDRLOET-AAEUAGOBSA-N 333.417 1.971 0 40 EDAB CN1CCN(C(=O)CNC(=O)NCc2ccco2)Cc2ccccc21 68855931 DCXGFFYTYAAQOX-UHFFFAOYSA-N 342.399 1.557 0 40 EDAB CN1CCC(NS(=O)(=O)c2cc(Cl)cc3c2OCC3)CC1 96009870 IGISFBXRDQTCBI-UHFFFAOYSA-N 330.837 1.647 0 40 EDAB CN(C)CCn1ccc(NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)n1 72072063 UUDJPIOTBAMJFO-AWEZNQCLSA-N 349.479 1.810 0 40 EDAB NC(=O)C[C@H]1CCCCN1C(=O)CN1CCC(C(F)(F)F)CC1 96495818 AWFQHCXOTBUJHQ-GFCCVEGCSA-N 335.370 1.517 0 40 EDAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 9724785 JACSKSTVNFKHFZ-MWLCHTKSSA-N 349.811 1.892 0 40 EDAB CCN(CCNC(=O)NC[C@H]1CN(C)CCN1C)c1cccc(C)c1 71897562 RDOAZUQDSGZSDP-SFHVURJKSA-N 347.507 1.366 0 40 EDAB COc1ccc(CCNC(=O)CN2CCC[C@H]2Cn2cccn2)cc1 71875443 DMHYAXKOJRGPHL-KRWDZBQOSA-N 342.443 1.715 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)n1 71876091 AWQFNEVHLBNHRB-CQSZACIVSA-N 333.436 1.295 0 40 EDAB Cn1ccc(CN2CCN(C(=O)Cc3ccccc3F)CC2)cc1=O 71833214 OMBYCVCADDULHH-UHFFFAOYSA-N 343.402 1.411 0 40 EDAB CN(C)C(C)(C)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 84139864 YDMDOCTWPYAIMY-UHFFFAOYSA-N 346.475 1.546 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)CCO2)n1 72299538 CYWLDMSBNPTHQX-ZIAGYGMSSA-N 348.790 1.670 0 40 EDAB O=C(NCCN1C(=O)CCC1=O)Nc1ccccc1Br 72283368 UJBCNPSCTZCEJK-UHFFFAOYSA-N 340.177 1.720 0 40 EDAB O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CC(n2ccnc2)C1 72284346 ZIIWRUKVQOLQGT-UHFFFAOYSA-N 346.412 1.021 0 40 EDAB O=C(CNC(=O)c1ccccc1F)Nc1ccc(-c2nc[nH]n2)cc1 72287599 RTTDGUZBMHFYFW-UHFFFAOYSA-N 339.330 1.979 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N(C)[C@@H](c1ccccc1C)C(C)C 79002071 GFTUPIWQTHHSBF-GOSISDBHSA-N 333.432 1.403 0 40 EDAB O=C(C[C@H]1CCCN1S(=O)(=O)c1c[nH]cn1)c1cccs1 97046891 AOZCPVUPGQFWHK-SNVBAGLBSA-N 325.415 1.897 0 40 EDAB CC(C)c1nnc2n1C[C@@H](NC(=O)Cn1nnc3ccccc31)CC2 97198100 PHIHSLBLVQIAPF-LBPRGKRZSA-N 339.403 1.277 0 40 EDAB O=C(NCc1ccc(Br)cc1)NC[C@@H]1COCCO1 84403136 DQRDXWLPEPEKAF-GFCCVEGCSA-N 329.194 1.664 0 40 EDAB CCN(CC)S(=O)(=O)Nc1cc(OC)c(OC)cc1C(=O)O 95349435 WHLRDXRLQKSYQR-UHFFFAOYSA-N 332.378 1.401 0 40 EDAB CCOC(=O)[C@]1(C)CCCN1C(=O)c1csc(NC(C)=O)n1 95428348 IAELHPPVQURRKT-AWEZNQCLSA-N 325.390 1.659 0 40 EDAB Cn1ccc(CN2CCC(NC(=O)Cc3ccccc3)CC2)cc1=O 95952508 GCVUZQVLEGDADO-UHFFFAOYSA-N 339.439 1.709 0 40 EDAB COCCN1CC[C@H](NC(=O)NC[C@@H](c2cccs2)N(C)C)C1 89312249 VLWZIGXISQTTJI-KBPBESRZSA-N 340.493 1.371 0 40 EDAB CN1CCN(C[C@@H](O)CN(C)C(=O)C[C@H]2CCc3ccccc32)CC1 89382656 GWUXFQIDMYLXFZ-MSOLQXFVSA-N 345.487 1.173 0 40 EDAB COc1ccccc1N1CCC[C@@H](Nc2ccc(C(N)=O)nn2)C1 75052726 XIVGODIEPLFANQ-GFCCVEGCSA-N 327.388 1.665 0 40 EDAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@H]1C2 306134091 NDFFJBQZSJTZEE-KGLIPLIRSA-N 341.415 1.458 0 40 EDAB COC(=O)N[C@H]1CS[C@@H](CCCCC(=O)O)[C@@H]1NC(=O)OC 4409427 MYWMFXBHMKFOKF-ATZCPNFKSA-N 334.394 1.196 0 40 EDAB CC12CN3CC(C)(CN(C1)C3c1ccc(O)c3ncccc13)C2O 79190593 MTLNSGIKMAXJBU-UHFFFAOYSA-N 325.412 1.957 0 40 EDAB biogenic COC(=O)c1cn([C@H]2CCCC[C@H]2OC(=O)c2cscn2)nn1 78411371 SJTJZOICTASUHK-NWDGAFQWSA-N 336.373 1.862 0 40 EDAB O=C(COc1ccccc1F)Nc1cc(-n2cnnn2)ccc1F 39389356 ZKNNVVQNAZFIRR-UHFFFAOYSA-N 331.282 1.958 0 40 EDAB O=C(c1cc([C@@H]2CCCN(c3cnccn3)C2)n[nH]1)N1CCOCC1 72356369 PLHXLQBVOLKXAC-CYBMUJFWSA-N 342.403 1.056 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCCOc1ccc(F)c(F)c1 78610137 BKDBFNDGRRUXKK-JTQLQIEISA-N 338.310 1.871 0 40 EDAB Cc1ncccc1NC(=O)[C@H](C)NC(=O)c1ccc(C(=O)O)cc1 1571174484 XUJPRXOMXHRYFM-NSHDSACASA-N 327.340 1.845 0 40 EDAB Cc1noc(CCCNC(=O)[C@@H](C)N2CCc3ccccc3C2)n1 78928915 OPUVUFJAJSVSJO-CYBMUJFWSA-N 328.416 1.874 0 40 EDAB CCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2NC(=O)OC)C1 79044876 LMTJGRXIYWBTDC-LBPRGKRZSA-N 333.388 1.853 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](O)c1ccc(C)o1 49026918 OSYSBKKBHSCBHQ-CYBMUJFWSA-N 332.356 1.063 0 40 EDAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@H](Oc2cccnn2)C1 225419347 QPBAUFBLLZIMKS-RZXPCSSPSA-N 331.397 1.930 0 40 EDAB OC[C@@H](Cc1ccc(F)cc1)NC[C@H](O)COCc1ccccc1 568391484 BKUXPGFTSVJOMP-MOPGFXCFSA-N 333.403 1.896 0 40 EDAB C/C=C1\C=C(\C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 229957448 UAYZNOYHWPOXJQ-DJYWZVFOSA-N 333.384 1.113 0 40 EDAB CCn1c(C)cc(C(=O)CN(C)C2CCS(=O)(=O)CC2)c1C 85823976 DYTKSSROEZMHSI-UHFFFAOYSA-N 326.462 1.817 0 40 EDAB COc1ccccc1C1=NO[C@@](C)(C(=O)NCCCn2cccn2)C1 222283342 YPFQCBMBUOVGKL-GOSISDBHSA-N 342.399 1.981 0 40 EDAB COc1ccc(C(=O)NCc2nc(-c3cc[nH]c(=O)c3)no2)cc1F 225802963 GZKQOUBWGRFUHQ-UHFFFAOYSA-N 344.302 1.503 0 40 EDAB CC(C)OC(=O)CC[C@@H](C)NC(=O)N[C@H]1CCC(=O)NC12CCC2 225784414 DPULIWAADZRKNG-OLZOCXBDSA-N 339.436 1.607 0 40 EDAB O=C(c1ncsc1Nc1ccccc1)N1C[C@@H](CO)[C@H](CO)C1 529688346 JBHDENHVRWWRIB-RYUDHWBXSA-N 333.413 1.560 0 40 EDAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NS(=O)(=O)[C@@H](C)C(=O)N(C)C 193826032 RSMMXVPZJVXLKA-WCQYABFASA-N 342.461 1.998 0 40 EDAB O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2CC1CCOCC1)c1ccco1 96250296 RTQBRMNUMUWYSQ-XYJFISCASA-N 348.443 1.915 0 40 EDAB CS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1cccc(N)c1 96519737 YNGDANDCEBZDRA-RKDXNWHRSA-N 328.615 1.634 0 40 EDAB COC(=O)CCC(=O)N1C[C@@H]2CN(CCCc3ccccc3)C[C@H]2C1 96080924 LINUKFOVERJELM-ROUUACIJSA-N 344.455 1.963 0 40 EDAB C[C@H](NC(=O)NC[C@H](O)c1cnn(C)c1)c1csc(C2CC2)n1 96440209 AYAHFFDQGQBHLD-ZANVPECISA-N 335.433 1.848 0 40 EDAB O=C(c1ccncn1)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107659 NERIVKHNYNORMB-GUYCJALGSA-N 326.356 1.324 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)Cn1cc(-c2ccccc2)ncc1=O 95474919 YRRKSKSSSWAWHA-MRXNPFEDSA-N 340.427 1.511 0 40 EDAB CC[C@H]1CN(C)c2ccccc2CN1C[C@H](O)CN1CCOCC1 96461835 CHHZILRVZOYUPF-ZWKOTPCHSA-N 333.476 1.410 0 40 EDAB O=C(NCCc1nnc2n1CCC2)N1CCc2c(F)cc(F)cc2C1 96480398 GZTGUCYOQBVQPJ-UHFFFAOYSA-N 347.369 1.813 0 40 EDAB CC(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CCCC4)cn23)C1 96267696 CCQPTQLJRQKFJU-ZDUSSCGKSA-N 327.388 1.301 0 40 EDAB Cc1cc(NC(=O)CN[C@H](C)c2ccc(-n3cncn3)cc2)n(C)n1 96490802 GYMZPIRVFWPXTO-CYBMUJFWSA-N 339.403 1.599 0 40 EDAB CC(C)n1cc([C@@]2(O)CCN(C(=O)c3n[nH]c4c3CCCC4)C2)nn1 583618882 WZRFIDDDSGDSIE-QGZVFWFLSA-N 344.419 1.195 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1ncnn1C(C)(C)C 252487085 HSFALXQJBICOOE-NSHDSACASA-N 347.467 1.814 0 40 EDAB O=S(=O)(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1cccc(F)c1 257329185 XIVSWWCJJHGWKK-BZUAXINKSA-N 342.436 1.482 0 40 EDAB COc1cccc(O[C@H]2CCN(C(=O)CCC(=O)O)CC[C@@H]2O)c1 257296448 RCWTVIMDEMHCOY-GJZGRUSLSA-N 337.372 1.291 0 40 EDAB CN(C)c1nccnc1[C@@H]1CN(C(=O)CCCn2ccnc2)CCO1 257341330 ZJWZXWJKOUITFN-AWEZNQCLSA-N 344.419 1.119 0 40 EDAB CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2CC(N)=O)n1 257287699 PRDFIGCOOGFPRB-HNNXBMFYSA-N 325.416 1.832 0 40 EDAB CC(=O)N1CCC(Cc2cnc(CN3CCC[C@@H]3C(=O)O)cn2)CC1 257287141 POROSKHLKOQNPU-QGZVFWFLSA-N 346.431 1.327 0 40 EDAB O=C(N[C@H]1CC[C@@H](CO)CC1)c1c[nH]nc1I 585132366 UZEYGKDZMODGKZ-OCAPTIKFSA-N 349.172 1.295 0 40 EDAB CC(C)(C)OC(=O)N[C@H]1C[C@H](NC[C@@]2(C)CCC(=O)N2)C1(C)C 585117653 QBADBIIURRRCOJ-NVGCLXPQSA-N 325.453 1.937 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](Cc3ccccn3)C2)n1 257247690 JABHORTWGITJGJ-HNNXBMFYSA-N 326.400 1.428 0 40 EDAB CCS(=O)(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 253490565 JEHYEJUERFNPEL-HZSPNIEDSA-N 326.418 1.290 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)n1 257300047 RSQSVVSNDMELOO-ZDUSSCGKSA-N 331.420 1.963 0 40 EDAB O=C(CCOc1ccccc1F)N1CCO[C@H](c2cnccn2)C1 257341935 ZMMIXDBNEBJOIP-INIZCTEOSA-N 331.347 1.985 0 40 EDAB CCN1CCN(c2nn(-c3cccc(OC)c3)nc2C(=O)O)CC1 256045898 BOZXDJAWDRJECI-UHFFFAOYSA-N 331.376 1.116 0 40 EDAB COCC(=O)N1CCC[C@H](Cc2cnc(-c3c(C)n[nH]c3C)cn2)C1 257227364 FOYIQUSANHLKSU-CQSZACIVSA-N 343.431 1.911 0 40 EDAB Cn1nccc1C(=O)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257322532 WGJIXRZMGOVBNH-HOCLYGCPSA-N 333.363 1.604 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCCc2ccccc2F)C1 279864419 STJMZHOTRSHPQG-CYBMUJFWSA-N 343.424 1.091 0 40 EDAB CCc1ccccc1S(=O)(=O)N1C[C@@H](N)[C@H](c2cn(C)cn2)C1 1615056854 BFNJRUIRUMFNKF-ZIAGYGMSSA-N 334.445 1.098 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CCO2)C1 575405110 RBHNYHOWGDZKMT-KFWWJZLASA-N 336.432 1.041 0 40 EDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)NCc2cccc(OC(C)C)c2)[C@@H]1O 585280449 NTWCPPIBDQCFCN-KURKYZTESA-N 348.443 1.708 0 40 EDAB NC(=O)c1cccc(Cn2cc(I)cn2)c1 72287749 YMWDPXQFWLXMDO-UHFFFAOYSA-N 327.125 1.635 0 40 EDAB O[C@H](COCc1ccco1)Cn1cc(I)cn1 95438741 VCNMPCHMKSEANU-JTQLQIEISA-N 348.140 1.658 0 40 EDAB CCn1cc(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)nn1 1615042136 GQGVYARRQZRPRM-CYBMUJFWSA-N 330.323 1.648 0 40 EDAB CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCC[C@H](c2ccncc2)CC1 1616001667 YZASAACZWSZDGN-IMJJTQAJSA-N 340.445 1.395 0 40 EDAB CCN(CC(=O)Nc1ccc2c(c1)OCCCO2)CC(=O)NC(C)C 5261977 BYBPPAKDHMEAME-UHFFFAOYSA-N 349.431 1.633 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)Cn2nc(-c3ccco3)cc(N)c2=O)C1 12146683 UYYPXCFIRABRMC-RYUDHWBXSA-N 330.388 1.590 0 40 EDAB COc1ccccc1C[C@H](C)NC(=O)[C@H](C)N1C(=O)NC(C)(C)C1=O 12196814 MTVGLRMLFFHOTO-RYUDHWBXSA-N 347.415 1.461 0 40 EDAB O=C(Nc1ccccc1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 16850872 JMOACJRSYHTDCY-CYBMUJFWSA-N 345.424 1.984 0 40 EDAB Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)NC(N)=O 17830849 AYEWETQYSCHOKW-UHFFFAOYSA-N 325.371 1.532 0 40 EDAB COCC(=O)N[C@H](C)c1nc2cc(-c3ccccc3F)ncn2n1 19575552 DUROJENUTCPLNA-SNVBAGLBSA-N 329.335 1.754 0 40 EDAB CNC(=O)Cn1cc(NC(=O)c2cc3cc(C)ccc3n2C)cn1 19746173 CRARIYUXPSSUJE-UHFFFAOYSA-N 325.372 1.682 0 40 EDAB CC[C@H](O)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O 156191765 VYPDQOLYKLPQDF-LKFCYVNXSA-N 341.205 1.987 0 40 EDAB O=S(=O)(NCCn1nc(-c2cnccn2)cc1C1CC1)C1CC1 238970402 ZIRVQKZZKJAYRR-UHFFFAOYSA-N 333.417 1.299 0 40 EDAB O=C([C@H]1CN(c2nnc(C3CC3)s2)CCO1)N1CCSCC1 1888834752 RKUBMBLGFNKPSN-LLVKDONJSA-N 340.474 1.196 0 40 EDAB Cc1noc(CN2CCN(c3cc(C4CCOCC4)ncn3)CC2)n1 1888843745 ADXFHWQRZRGTTB-UHFFFAOYSA-N 344.419 1.384 0 40 EDAB CCn1cnc2c(N3CCN(c4ncncc4F)CC3)ncnc21 1888888183 ODUUXFGKROVDGU-UHFFFAOYSA-N 328.355 1.102 0 40 EDAB CC(C)c1nsc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)n1 1889108856 SGLKALKKPRTWQD-JTQLQIEISA-N 330.479 1.712 0 40 EDAB CC(=O)N[C@H](C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)C(C)C 25918851 OOOVFSBZVLLUOU-DYVFJYSZSA-N 343.431 1.947 0 40 EDAB Cn1cccc(C(=O)N2CC[C@H]3CN(Cc4cccnc4)C[C@H]32)c1=O 1076473727 KNWNEYFDFUAWSH-DOTOQJQBSA-N 338.411 1.127 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)C3CC(O)C3)C2)CC1=O 1565553767 DTUKLZSDUSTXEH-WTNGLUPJSA-N 347.415 1.013 0 40 EDAB Cc1cc(O)nc2nnc(SCC(=O)NCCc3ccccc3)n12 4249939 LEKNKVLIWDJZMG-UHFFFAOYSA-N 343.412 1.589 0 40 EDAB COC(=O)[C@H](NC(=O)CSc1nc(C)cc(=O)[nH]1)c1ccccc1 4625320 ZDIQSKPFBCVMMF-CQSZACIVSA-N 347.396 1.201 0 40 EDAB Cc1nc2c(=O)n(CC(N)=O)nc(-c3ccc(Cl)cc3)c2s1 8955211 VVTCBGRVWSMSSQ-UHFFFAOYSA-N 334.788 1.967 0 40 EDAB Cc1cc(=O)n(CC(=O)N2CC(n3c(C)nc4ccccc43)C2)cn1 1775974813 RGSRNRDQLLPRGK-UHFFFAOYSA-N 337.383 1.293 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCC(n3ccnn3)CC2)cc1 206941493 MWRIOKKHGKTQOT-UHFFFAOYSA-N 336.417 1.703 0 40 EDAB CC(=O)Nc1ccc(C(=O)NC2CCN(c3cnsn3)CC2)cc1 575615321 CPTUERGJZVAIQH-UHFFFAOYSA-N 345.428 1.895 0 40 EDAB C[C@H](CNC(=O)c1ccn(-c2ccccc2Cl)n1)N1CCOCC1 50573846 HUVOELYLBWNANC-CYBMUJFWSA-N 348.834 1.976 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)Cn2cnc3ncccc3c2=O)c1 40488023 CHFYTDBTBIVKMR-AWEZNQCLSA-N 325.368 1.848 0 40 EDAB COc1cccc(CN(C)C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 40496218 HVZYHKVTANSHGW-CQSZACIVSA-N 340.445 1.325 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)COc2cccc(Cl)c2)CC1 40497288 GRBABGMNQYSDRC-UHFFFAOYSA-N 346.836 1.259 0 40 EDAB Cc1nc2ccccc2c(=O)n1CCCC(=O)N1CCOC[C@H]1C 40509681 DJBVXDXFEUMEHX-CYBMUJFWSA-N 329.400 1.732 0 40 EDAB CCOc1cccc2c1OCC(C(=O)NCCCN1CCCC1=O)=C2 40529797 CMZMBCXJUUKCPY-UHFFFAOYSA-N 344.411 1.990 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 40505225 BJXYIKFYNYXDAW-INIZCTEOSA-N 335.448 1.937 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(N2CCOCC2)nc1 51184817 UPHZBSAZJMUVLN-GFCCVEGCSA-N 344.371 1.268 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1C(=O)CN(C)C(=O)c2ccccc21 4356328 IPGLREHMYQOASC-CYBMUJFWSA-N 329.400 1.506 0 40 EDAB O=C(NCc1ccco1)c1nnn2c1[nH]c(=O)c1cc(Cl)ccc12 20721246 VISAKXNWNQLNOR-UHFFFAOYSA-N 343.730 1.747 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 20745440 QLZVZXFEVKPETR-CYBMUJFWSA-N 347.415 1.680 0 40 EDAB COc1ccc(S(=O)(=O)c2c[nH]c(=S)[nH]c2=O)cc1OC 20849154 XIYFMGBWRJLZLB-UHFFFAOYSA-N 328.371 1.282 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)c3nccnc3N)c2O1 32830548 HEQSKSHMWCXJCT-UHFFFAOYSA-N 328.372 1.581 0 40 EDAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCN(C)CC3)CCC(=O)N2C)cc1 57355954 RYAUZZGYKSNYDX-SJLPKXTDSA-N 329.444 1.679 0 40 EDAB O=C(CN1CSCC1=O)Nc1nnc(Cc2ccccc2)s1 32971626 ORWURXCSDZVAOV-UHFFFAOYSA-N 334.426 1.600 0 40 EDAB O=C(OCCOc1ccccc1)c1cnn(CCN2CCOCC2)c1 71921382 GKFZTMYTECOWBE-UHFFFAOYSA-N 345.399 1.451 0 40 EDAB O=C(CNC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1)N1CCCC1 110661465 JMCFXUQZNQQSFU-HRCADAONSA-N 334.464 1.125 0 40 EDAB O=C(c1ccc(NC(=S)NC[C@H]2CCCO2)cc1)N1CCOCC1 2809111 MQMLQADTQBVSMF-OAHLLOKOSA-N 349.456 1.624 0 40 EDAB CC[C@H](NC(=O)c1ccc(CNC(=O)[C@@H]2CCCO2)cc1)C(=O)O 33520399 QCKAQRKQYRREBJ-KBPBESRZSA-N 334.372 1.075 0 40 EDAB C[C@@H]1CN(Cc2csc(NC(=O)c3nccnc3N)n2)C[C@@H](C)O1 22325647 QORBNEIDZQICNM-NXEZZACHSA-N 348.432 1.377 0 40 EDAB COc1ccccc1Nc1ncccc1C(=O)N1CC[C@@H](C(N)=O)C1 53892922 UHFOEVLWMHDPLP-GFCCVEGCSA-N 340.383 1.781 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 47266387 SYQRRTRHMBMDDI-WDEREUQCSA-N 345.442 1.867 0 40 EDAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 28207546 KYXUJJPSXUOBJM-ZDUSSCGKSA-N 342.461 1.929 0 40 EDAB COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)n1cnnn1 61718383 LZDLZGJXASXKJQ-INIZCTEOSA-N 337.383 1.782 0 40 EDAB Cc1ccccc1CC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 47635323 CCZYGQNYYIUUKT-MSOLQXFVSA-N 332.444 1.391 0 40 EDAB COc1ccccc1COC[C@@H](O)Cn1ncc2ccccc2c1=O 42755969 OGLMMKURKBZAAZ-INIZCTEOSA-N 340.379 1.983 0 40 EDAB COc1cc2c(cc1OC)CN(S(=O)(=O)N1CCCCC1)CC2 24755048 ACJFTMBMBGVSRG-UHFFFAOYSA-N 340.445 1.793 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 102833367 CIDZZCGOOOAFQZ-ZJIFWQFVSA-N 333.476 1.624 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3nc(-c4ccoc4)no3)CCO2)c1 69436466 CNIOULYNVZHZHS-AWEZNQCLSA-N 329.360 1.736 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N2CCc3sccc3C2)C[C@@H]1C 106868106 FHWHDZWVSFBEBJ-KBPBESRZSA-N 337.489 1.020 0 40 EDAB CN(Cc1nc(=O)c2ccccc2[nH]1)C[C@@H](O)COCc1ccco1 25499756 WOWKYCUZKRPYTO-CYBMUJFWSA-N 343.383 1.526 0 40 EDAB C[C@H](CNC(=O)C1=NN(C)C(=O)CC1)N1CCc2ccccc2C1 25637867 AQGIGUXBYUWAQJ-CYBMUJFWSA-N 328.416 1.158 0 40 EDAB COCC(=O)NCCc1ccc(I)s1 69420047 OEESXLTVJPSKOS-UHFFFAOYSA-N 325.171 1.658 0 40 EDAB Cc1noc(C)c1C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 25816707 RRTIUCIFNHOORP-GFCCVEGCSA-N 338.385 1.714 0 40 EDAB CCS(=O)(=O)CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 57259503 SDWJNFNWYUUHHE-KRWDZBQOSA-N 332.425 1.854 0 40 EDAB CN(CC1CC1)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 58202232 YKBJWVVPHRLUKA-UHFFFAOYSA-N 336.457 1.399 0 40 EDAB COc1ccccc1-c1cc(NC(=O)C[C@H]2CCS(=O)(=O)C2)[nH]n1 58290535 OPQFIJVWPKVFQO-LLVKDONJSA-N 349.412 1.849 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)NCc1cccc(CN(C)CC)c1 58299618 NSVFPVCQICMVMY-CQSZACIVSA-N 340.489 1.968 0 40 EDAB CN(CCCNC(=O)Cc1ccc(-n2cccc2)cc1)S(C)(=O)=O 44919096 MRCFUTNPPOTMEM-UHFFFAOYSA-N 349.456 1.418 0 40 EDAB COc1ccc(Cl)cc1NCCC(=O)NCCCn1cncn1 58324063 SRPGVYLKICTMLK-UHFFFAOYSA-N 337.811 1.949 0 40 EDAB CCN(Cc1nc2c(c(=O)[nH]c(=O)n2C)n1C)c1cccc(F)c1 58391733 GIKKKJNZYHTWFH-UHFFFAOYSA-N 331.351 1.126 0 40 EDAB O=C(Nc1cccc(CNC(=O)c2ccc[nH]c2=O)c1)c1ccccn1 58434912 LLKRWIFKYMVKCR-UHFFFAOYSA-N 348.362 1.952 0 40 EDAB CC(=O)N1CCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 48263478 ONTLJMYSKRIEPV-UHFFFAOYSA-N 327.388 1.246 0 40 EDAB C[C@@H](O)CNC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 2346951 PBYBAFZVYSGKSY-MRVPVSSYSA-N 331.401 1.328 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)C3CCC3)CC2)c1OC 58706836 FCIZVRGYNKHCAN-UHFFFAOYSA-N 332.400 1.788 0 40 EDAB O=C(COC(=O)[C@H]1COc2ccccc2O1)NCc1ccccc1 3497801 VRTLBVSNEIBPTE-MRXNPFEDSA-N 327.336 1.686 0 40 EDAB CCCN1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2)CC1 13183405 SKRDQOBXUPJRBL-UHFFFAOYSA-N 326.418 1.538 0 40 EDAB C[C@@H](NS(C)(=O)=O)C(=O)N1CCc2cc(Br)ccc21 49342610 BDOSZBZUDQVDGC-MRVPVSSYSA-N 347.234 1.276 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC[C@]1(O)CCCN2CCCC[C@@H]21 63855804 ZDJAMPVYIOXPIW-YQVWRLOYSA-N 331.460 1.052 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)c1 64373537 QOOLUNHSHDBEAL-ZDUSSCGKSA-N 333.388 1.334 0 40 EDAB C[C@@H](C(=O)NCc1ncn(C)n1)N1CCC(Cc2ccccc2)CC1 91866825 WBRWKNURJCTMMB-HNNXBMFYSA-N 341.459 1.775 0 40 EDAB O=C(COc1ccccc1F)Nc1cnn(CCN2CCOCC2)c1 69741959 KTABLXVTHAPMNT-UHFFFAOYSA-N 348.378 1.372 0 40 EDAB CCNC(=O)NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 6110247 OHTFGFLFDJAKMQ-SECBINFHSA-N 348.428 1.429 0 40 EDAB Cc1sc2nc([C@H](C)OC(=O)c3nccnc3N)[nH]c(=O)c2c1C 5174405 XAVULRADMOSTAH-ZETCQYMHSA-N 345.384 1.892 0 40 EDAB O=c1c(Cc2ccccc2)c(N2CCOCC2)nc2n1CCS2 5206034 CXHJHQCKOVLMIL-UHFFFAOYSA-N 329.425 1.776 0 40 EDAB O=C(C[S@@](=O)c1ccc(Br)cc1)N1CCOCC1 5263298 JRBIWWYDKDXKPN-SFHVURJKSA-N 332.219 1.416 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1 69870647 LTKWRPVXXWMXDB-GFCCVEGCSA-N 333.363 1.619 0 40 EDAB C[C@H](CNC(=O)NCc1ccc(Cn2cncn2)cc1)N1CCCC1 65427867 DPIVFZFTJDQKGC-OAHLLOKOSA-N 342.447 1.610 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)N1CCC(O)CC1)c1ccc(F)cc1 65452762 IZOHWBJGAUYPSH-HNNXBMFYSA-N 332.379 1.815 0 40 EDAB Cc1ccsc1CN(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 14094197 IEOCYHUUEPHHKD-UHFFFAOYSA-N 348.428 1.138 0 40 EDAB Cc1nc2n(c1C)CCN(C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C2 65575383 NFPPFTNVYFNIRY-INIZCTEOSA-N 349.456 1.453 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(=O)n2ccsc2n1 14119889 XWLWPHWIJFKCRU-CQSZACIVSA-N 340.408 1.168 0 40 EDAB CCS(=O)(=O)Nc1ccccc1C(=O)N[C@H](C)[C@H]1CCCO1 65625695 VRWYUULBRHGAKD-BXUZGUMPSA-N 326.418 1.746 0 40 EDAB COCCn1nc(C)c(CNC(=O)[C@H](C(C)C)N2CCCC2)c1C 69926917 JEPQGJLOALQPOZ-KRWDZBQOSA-N 336.480 1.883 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)s1 14251600 YNSDLPWBQYZCTM-UHFFFAOYSA-N 340.426 1.796 0 40 EDAB CC(C)[C@@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1cccs1 69952197 QPRZMCWAHLXYKJ-RHSMWYFYSA-N 339.505 1.824 0 40 EDAB Cc1ccc(C)c(OCC(=O)OCn2nnc3ccccc3c2=O)c1 5938310 VUFLMCCDCMYIRA-UHFFFAOYSA-N 339.351 1.988 0 40 EDAB CC(C)(C)OC(=O)N1CCNC2(C1)CN(C(=O)OC(C)(C)C)C2 306145688 NQZRCJOSKVWOAI-UHFFFAOYSA-N 327.425 1.816 0 40 EDAB CCCCS(=O)(=O)NCC(=O)N[C@H]1CCc2c(F)cccc21 90012154 XGRWKTBKFPIBPW-AWEZNQCLSA-N 328.409 1.649 0 40 EDAB O=C(c1ccc(-c2nc(C3CC3)n[nH]2)cc1)N1CCOC[C@@H]1CCO 92437890 KQYDCMPPWBRBEF-HNNXBMFYSA-N 342.399 1.573 0 40 EDAB CCCCNC(=O)COC(=O)c1ccc2c(c1)nc(C)c(=O)n2CC 7576654 OUURNWHRYOZALH-UHFFFAOYSA-N 345.399 1.798 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccoc2)cc1 16224673 RTKWVNFQGIBEBS-LLVKDONJSA-N 338.385 1.845 0 40 EDAB CN1C[C@H](C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1=O 91153643 KMHCNQXQBVXEGW-RIEGTJTDSA-N 340.782 1.904 0 40 EDAB NC(=O)Cn1cc2c(n1)[C@@H](NC(=O)c1ccc(Cl)cc1)CCC2 96002891 VGWSOGJFSRCZII-ZDUSSCGKSA-N 332.791 1.829 0 40 EDAB Cc1noc(-c2ccnc(N3CCC[C@@H](CN4CCOCC4)C3)c2)n1 89721322 UCAAWRDADSKFDR-HNNXBMFYSA-N 343.431 1.989 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(Cc3cn4ccsc4n3)C2)C1=O 89869859 MSSXPMZSBFZOGK-HNNXBMFYSA-N 333.417 1.301 0 40 EDAB C[S@](=O)c1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1 71893539 DGQXNBPWERSCDC-XMMPIXPASA-N 341.392 1.773 0 40 EDAB Cc1nccn1[C@@H]1CCCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 71870589 FQQVJZIXWKERHN-CYBMUJFWSA-N 325.372 1.838 0 40 EDAB COc1ccc(CCN2CCN(C(=O)c3cnn(C)c3)CC2)cc1 71836606 PXOOZIBYHWADFG-UHFFFAOYSA-N 328.416 1.429 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](CC)c1noc(C)n1 87140885 PVTLWHRLNVLRSQ-MNOVXSKESA-N 333.396 1.817 0 40 EDAB CCN1CCN([C@H]2CCN(CCOc3ccc(OC)cc3)C2)CC1 89977314 BEOCGFZMRIBWNL-KRWDZBQOSA-N 333.476 1.786 0 40 EDAB CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)C1 89942138 YSFZTLDWJMVTNY-FRRDWIJNSA-N 326.437 1.887 0 40 EDAB COC(=O)c1cc(F)cc(OC)c1NCC(=O)NCC(F)(F)F 72296263 FYLYAHWZEFJIOX-UHFFFAOYSA-N 338.257 1.711 0 40 EDAB O=C(NC[C@H]1CCCO1)NC1CCN(C(=O)c2ccccc2O)CC1 72289595 WPTBNGXAJQGSPV-CQSZACIVSA-N 347.415 1.475 0 40 EDAB O=C(c1ccc(Br)o1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269086 KRLBXAOKZFWENM-GHMZBOCLSA-N 343.221 1.713 0 40 EDAB O=C(Cc1cn2ccsc2n1)N1CCCN(c2cccnn2)CC1 75603325 QNYBMOWZXWEXKU-UHFFFAOYSA-N 342.428 1.467 0 40 EDAB CCCC(=O)N1CCCC[C@@H]1C(=O)NCCC(=O)Nc1ccncc1 75606934 QTEUPBLILYHTSD-OAHLLOKOSA-N 346.431 1.708 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)C[C@@H](C)O1 72313968 XBPSPIREGBNNKF-JHJVBQTASA-N 348.465 1.147 0 40 EDAB O=C(NCc1cc(=O)[nH]c2ccccc12)[C@H]1COc2ccccc2O1 76042124 WFBOLPKASAJJCP-QGZVFWFLSA-N 336.347 1.984 0 40 EDAB CCC(=O)NCc1ccc(S(=O)(=O)Nc2nccs2)cc1 76042532 HVLSGDKWSIWYIO-UHFFFAOYSA-N 325.415 1.970 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)C[C@@H]3OCCc4ccccc43)CCO2)n1 76045685 ZSFIKMYDHIVTRF-HOTGVXAUSA-N 342.399 1.717 0 40 EDAB COc1cccc(CCNC(=O)CN(C[C@H]2CCOC2)C2CC2)c1 97490669 QQWANNSNLVJKQL-MRXNPFEDSA-N 332.444 1.855 0 40 EDAB CN(CC(=O)N1CCNC1=O)C1CCN(c2cccc(F)c2)CC1 72826093 BUKBVDOXCPXWOT-UHFFFAOYSA-N 334.395 1.278 0 40 EDAB CCN(CCO)C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C 95360834 QFNOVILOGRRPEX-CQSZACIVSA-N 326.824 1.935 0 40 EDAB CC[C@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)o2)C[C@@H]1N(C)C 84735564 DXBATAHXZSJPSN-AAEUAGOBSA-N 328.434 1.236 0 40 EDAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 95407663 VGPAHRKSIKKHHI-CQSZACIVSA-N 343.383 1.029 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1cnc(N)c(Cl)c1 95459322 BOQPGZGJOFIKCC-ZDUSSCGKSA-N 349.822 1.881 0 40 EDAB CCc1nc(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)c[nH]1 95407321 PMAYPIOLXFBDNL-UHFFFAOYSA-N 340.427 1.889 0 40 EDAB Cc1cccn2cc(CC(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)nc12 78789585 LRTOHVYXSAHABR-IRXDYDNUSA-N 342.443 1.243 0 40 EDAB COc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2C(C)C)c(C)c1C 78771512 YOTXXPWXJLIHSM-HNNXBMFYSA-N 340.445 1.457 0 40 EDAB CCCS(=O)(=O)NC1CCN(C(=O)c2csnc2C)CC1 95983436 AXUVGRDFAJEPDB-UHFFFAOYSA-N 331.463 1.386 0 40 EDAB Cn1cnc2cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)cnc21 95996824 YGCLGHJRHIVPJP-UHFFFAOYSA-N 349.394 1.567 0 40 EDAB Cc1nc(CN2CCC[C@H]2C(=O)N2CCOCC2)nc2ccccc12 79398130 VDZIGJYZKXYNAW-KRWDZBQOSA-N 340.427 1.761 0 40 EDAB C[C@H](Sc1nccc(C(F)(F)F)n1)C(=O)NC(=O)NC1CC1 22614631 SQFXOZBKDMMFGR-LURJTMIESA-N 334.323 1.964 0 40 EDAB COCCNC(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 35313273 SXYFACBFLKBCRM-SECBINFHSA-N 331.401 1.749 0 40 EDAB Cn1c(-c2ccc3c(c2)OCO3)nn(CN2CCOCC2)c1=S 31771797 BCSVQPIJBRHVCU-UHFFFAOYSA-N 334.401 1.636 0 40 EDAB O=C(NC[C@H]1CCN(Cc2ccccc2)C1)[C@H](O)C1CCOCC1 525943722 HMUJCCPCHUFTST-SJLPKXTDSA-N 332.444 1.412 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccnc3)CC2)S1 73118855 FEDAZIDKLDNUBQ-BPLDGKMQSA-N 330.457 1.821 0 40 EDAB O=C(c1ccc(N2CCCC2)nn1)N1CCN(c2ccccn2)CC1 75172597 PVBXSNZHJIKUCP-UHFFFAOYSA-N 338.415 1.434 0 40 EDAB Cc1ccc(CNC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)n1C 79042757 IURTYIYYSRCANV-CYBMUJFWSA-N 339.399 1.288 0 40 EDAB Cc1c(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(F)c2)cnn1C 72242306 NINZRINRCUJWSC-RDJZCZTQSA-N 344.390 1.703 0 40 EDAB O=C(Nc1c[nH]nc1-c1nccs1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 560423428 IFABFGZGQKEVIO-GAIPPQHRSA-N 329.385 1.950 0 40 EDAB CC(=O)N1CC[C@@]1(CCCc1cccc(Br)n1)C(N)=O 72365935 GJICXRSBYRRRFT-AWEZNQCLSA-N 340.221 1.643 0 40 EDAB O=C(NCc1ccccc1)N1CC(c2nc(-c3ncccn3)no2)C1 49483227 ZZLQSHFEPBKQCK-UHFFFAOYSA-N 336.355 1.836 0 40 EDAB CC(C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1)=C1CCCC1 225480481 ZUSCDAOOSQUPPC-NVXWUHKLSA-N 333.476 1.984 0 40 EDAB Cc1c(C(=O)NCCSc2nncn2C)cnn1-c1ccccc1 49026410 DOQISDJEVJGVIU-UHFFFAOYSA-N 342.428 1.831 0 40 EDAB CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NC[C@@H]1CN(C)CCN1C 195531093 NPRPKGCZBBVCMA-VQHPVUNQSA-N 325.497 1.722 0 40 EDAB CC(C)[C@H](N)C(=O)NCc1nc(Cn2cnc3ccccc32)no1 568864633 FRMNCXDBRIVQLM-HNNXBMFYSA-N 328.376 1.067 0 40 EDAB CCOc1nc(C(F)(F)F)ccc1C(=O)N1CCCn2nnnc21 570803734 ZEXGMNZOCXDCGH-UHFFFAOYSA-N 342.281 1.536 0 40 EDAB COc1ccc(-n2nnc(C(=O)Nc3ccccc3C(N)=O)n2)cc1 75163480 AYYUTSDLEFQTRM-UHFFFAOYSA-N 338.327 1.022 0 40 EDAB O=C(c1nnn(-c2ccccc2)n1)N1CCN(c2ccccn2)CC1 75163349 UMUAHFNFZZJZSD-UHFFFAOYSA-N 335.371 1.020 0 40 EDAB O=C(c1cnccn1)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225780665 WQGOOPFLFDVEMI-UHFFFAOYSA-N 341.758 1.336 0 40 EDAB COc1ccc(CN2CCN(Cc3ccc(OC)nc3)CC2)cn1 85771054 CQDFQUVIMITDRY-UHFFFAOYSA-N 328.416 1.812 0 40 EDAB CN(c1ccc(CC(=O)NCc2cccnc2)cc1)S(C)(=O)=O 225976499 FKUCYHJYLMTSMW-UHFFFAOYSA-N 333.413 1.336 0 40 EDAB C[C@@]1(C(=O)NCCNC(=O)Cc2cccc(F)c2)C[C@H]2CC[C@H]1O2 225628525 NUOOQSNYEYIVMB-IIDMSEBBSA-N 334.391 1.558 0 40 EDAB Cn1nc2c(cc1=O)CN(S(=O)(=O)C1CCC(C)(C)CC1)CC2 195579950 CFTWAUAKSAENAT-UHFFFAOYSA-N 339.461 1.437 0 40 EDAB CO[C@@H]1CCN(S(=O)(=O)N(C)C)C[C@@H]1Cc1cccc(C)c1 96110222 SBWDRRSHFPKTOD-JKSUJKDBSA-N 326.462 1.681 0 40 EDAB COc1ccc(C(F)(F)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc1 96484912 XBLIOIKPRPHJNR-RISCZKNCSA-N 328.359 1.622 0 40 EDAB O=S(=O)(C1CC1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 96187932 XAALOYYZAOHODC-CYBMUJFWSA-N 325.434 1.234 0 40 EDAB O=C(Cn1cccc(F)c1=O)NCC1(c2ccccc2)CCOCC1 578506764 YFFOIADUSMREDM-UHFFFAOYSA-N 344.386 1.852 0 40 EDAB COCc1nsc(N2CCC([C@@H]3OCC[C@H]3C(=O)O)CC2)n1 578774669 KKCPDVMFUPFDSK-PWSUYJOCSA-N 327.406 1.391 0 40 EDAB CC(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 96126361 HDSOFXPRKKMZPB-CQSZACIVSA-N 340.420 1.337 0 40 EDAB O=C(COc1ccc2c(c1)NC(=O)CC2)NCCc1ccncc1 96231550 JULYHPFFWDOXSM-UHFFFAOYSA-N 325.368 1.704 0 40 EDAB C[C@H](N1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1)C(F)(F)F 96455063 RTYKYMFKGSDZCW-NEPJUHHUSA-N 336.402 1.747 0 40 EDAB O=C(Cc1ccsc1)N1CC[C@@H]2[C@@H]1CC(=O)N2CCN1CCCC1 96183943 UBHWJZJRYUADIV-CVEARBPZSA-N 347.484 1.588 0 40 EDAB CC1(Cn2cc(C(=O)N3CCCc4ccccc4CC3)nn2)COC1 333957489 IDFUKNBRISBURH-UHFFFAOYSA-N 340.427 1.946 0 40 EDAB CN1CCC2(CC1)C[C@H](COCC1CC1)N(S(=O)(=O)C1CC1)C2 96219610 IOXDKLAPUAVURY-OAHLLOKOSA-N 342.505 1.692 0 40 EDAB CC[C@H]1[C@H](C)CCN1S(=O)(=O)c1cnn(C)c1Br 583651380 KUQUDRKTUPJWSO-BDAKNGLRSA-N 336.255 1.992 0 40 EDAB COc1cc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)cc(C)n1 583618370 QLTSXUXNUYOIAI-QGZVFWFLSA-N 345.403 1.305 0 40 EDAB O=C(C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@@H]12)N1CCCCO1 96209787 XEOTZCWFDUICGL-KURKYZTESA-N 345.443 1.863 0 40 EDAB O=C(CN1CCO[C@H](c2nccs2)C1)NCCc1cccs1 97199688 WLZYYVAAUYBPHJ-ZDUSSCGKSA-N 337.470 1.937 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1csc(-c3cnn(C)c3)n1)C2 97199183 UYAXGMHMWAAHFS-LBPRGKRZSA-N 342.428 1.793 0 40 EDAB O=C(c1ccccn1)N1CC2(CC[C@H](CN3CCOCC3)CO2)C1 247802746 GZNDSVMPIQQYTA-OAHLLOKOSA-N 331.416 1.035 0 40 EDAB COc1cc(N2CC3(CC[C@H](CN4CCCC4=O)CO3)C2)ncn1 247889128 MDYFOSRGEYVILV-CYBMUJFWSA-N 332.404 1.093 0 40 EDAB CCS(=O)(=O)N1CCC(c2nnc(C3CCNCC3)o2)CC1 257199668 AAKCAJSCNOZKJG-UHFFFAOYSA-N 328.438 1.066 0 40 EDAB CCCn1nccc1-c1cncc(C[C@H]2CCN(S(C)(=O)=O)C2)n1 257222090 DRWAFOORHORFNY-CYBMUJFWSA-N 349.460 1.574 0 40 EDAB CN(C)c1cccc([C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)n1 257301336 RYAAHDLRZWFHKX-OAHLLOKOSA-N 348.428 1.305 0 40 EDAB CCc1ccc(S(=O)(=O)N2CC(CN3CCN(C)CC3)C2)cc1 585135146 ZSOCUXCNMONTNR-UHFFFAOYSA-N 337.489 1.117 0 40 EDAB CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cnc2sccc2c1 585114832 BVPIYYYFLAHQSS-GZMMTYOYSA-N 332.472 1.687 0 40 EDAB CN(C)CC(=O)N1CCC(c2cncc(Nc3ccccn3)n2)CC1 257276882 NVNIULDLHVKYLJ-UHFFFAOYSA-N 340.431 1.883 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)CCn1ccnc1 257288486 PUJVGWFTHYUKPV-OAHLLOKOSA-N 329.404 1.232 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)Cn2ccc(C(F)(F)F)n2)n1 257278910 OEDPSBIPZGDFBI-JTQLQIEISA-N 343.309 1.534 0 40 EDAB O=C(c1ccnc(N2CCCC2)c1)N1CCO[C@H](c2cnccn2)C1 257278167 OBCZGFRTYTVTEP-INIZCTEOSA-N 339.399 1.686 0 40 EDAB CN(C)Cc1cncc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)n1 257264895 LWKYPPHENFBMAT-INIZCTEOSA-N 347.444 1.459 0 40 EDAB C[C@]1(O)CN(C(=O)c2cccnn2)CC[C@@H]1Oc1cccc(F)c1 257312196 UMVDMVLRDCVBSB-RDJZCZTQSA-N 331.347 1.660 0 40 EDAB CN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H](C(=O)N(C)C)C1 257301199 RXJUBVMBKVWSKH-QGZVFWFLSA-N 341.459 1.529 0 40 EDAB Cc1nc(CC(=O)N2CCOC[C@H](Cc3cnccn3)C2)cs1 257279250 OFTMKESLHNYSHV-CYBMUJFWSA-N 332.429 1.502 0 40 EDAB COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)c1cccc(Cl)c1F 276992908 FHNMQOATIVGGMV-JTQLQIEISA-N 339.772 1.070 0 40 EDAB Cc1csc2nc(CN3CCC[C@@H]3c3nc(N)n(C)n3)cc(=O)n12 284325052 PZSUUKBGDDDXPI-LLVKDONJSA-N 345.432 1.112 0 40 EDAB N[C@H]1CN(C(=O)c2cc(O)ncc2Br)CC12CCC2 1615551261 AOCPMSKMQHJNKH-JTQLQIEISA-N 326.194 1.503 0 40 EDAB Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cnc1N 1615588014 NHWOTDZJNFARDD-UHFFFAOYSA-N 346.412 1.900 0 40 EDAB CN(C)CCn1cc(C(=O)N2CC3(CNC(=O)O3)C2)c2ccccc21 1615579933 LEMHJJQXJGLNOF-UHFFFAOYSA-N 342.399 1.137 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NCc1nnc(-c2ccccc2)n1C 1615612888 COQAQFYQBVBXLF-UHFFFAOYSA-N 346.416 1.003 0 40 EDAB CN(CCOc1cccc(Cl)c1)C(=O)[C@@H]1NCc2ncncc21 1615615825 XETSVGMEAIHXNX-OAHLLOKOSA-N 332.791 1.812 0 40 EDAB COc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1OCCO 390833327 GEDZJRBUGCOETO-UHFFFAOYSA-N 341.367 1.873 0 40 EDAB COC(=O)COc1ccc(NC(=O)Nc2cc(C)[nH]n2)cc1Cl 390835703 VKKXGQYGTNAUFS-UHFFFAOYSA-N 338.751 2.567 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3ccsc3)[C@H]2C1 575405770 TYFWDKBQZWANMJ-TVKJYDDYSA-N 334.441 1.607 0 40 EDAB O=C(CO[C@H]1CCOC2(C1)CN(C(=O)CC1CC1)C2)N1CCCC1 575405780 ULXVZXCFUOXJAH-HNNXBMFYSA-N 336.432 1.186 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)Cc3nonc3C)C2)c1 585269247 MUBPZCGZYTZJGD-QGZVFWFLSA-N 331.372 1.271 0 40 EDAB COCC(=O)N1CC(F)(F)C[C@@]2(CCN(c3cccnc3)C2=O)C1 585093057 HPPRZPJLYCGRPZ-HNNXBMFYSA-N 339.342 1.319 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@@H]1C1CCCCC1 55600127 XVNVSWLEPDBVEN-OAHLLOKOSA-N 333.432 1.876 0 40 EDAB O=C(NCCCCn1ccnc1)N[C@H]1CCN(c2ccccc2)C1=O 69081222 SACXGRRFDILVPO-INIZCTEOSA-N 341.415 1.768 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)CCc3c(C)nc(C)[nH]c3=O)C2)c1 69581858 SIVIYQFGCZVTKC-HNNXBMFYSA-N 343.431 1.688 0 40 EDAB O=C(O)[C@@H]1CCC(=O)N(CCNc2ncccn2)[C@H]1c1ccccc1 69571188 KRXORSUKTQANBJ-ZBFHGGJFSA-N 340.383 1.953 0 40 EDAB CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCCO2)cc1 71799944 LOBNTWTXGQLYQU-CQSZACIVSA-N 338.429 1.977 0 40 EDAB Cc1cc(CC(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)no1 72907791 LBNCUNMUSPGNPF-UHFFFAOYSA-N 345.374 1.578 0 40 EDAB C[C@H](CNC(=O)/C=C/c1nc2ccccc2o1)CN1CCOCC1 75143401 ULPLAXIRLNXJJA-PSKZRQQASA-N 329.400 1.926 0 40 EDAB C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1nnc2c(Cl)cccn12 585128016 PRCDVMPDUXZXBX-GHMZBOCLSA-N 338.795 1.583 0 40 EDAB CCN(CC(=O)Nc1cccc(OC)c1)C[C@@H](C)CN1CCOCC1 1616036376 KQWKVPYBDZZQRY-MRXNPFEDSA-N 349.475 1.924 0 40 EDAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCOCC1 5140852 NKANGWPVPSMIAK-UHFFFAOYSA-N 327.384 1.595 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)Cn2nc3n(C)c4ccccc4n3c2=O)C1 12117778 RKXKNSAPDGGCFG-STQMWFEESA-N 341.415 1.492 0 40 EDAB C[C@@H]1Oc2ccc(S(=O)(=O)NCc3ccccn3)cc2NC1=O 12118249 LOHAEOOZVSVVIP-JTQLQIEISA-N 333.369 1.280 0 40 EDAB Nc1ncc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cn1 12209014 QYIAJRKFKMUJBH-MRXNPFEDSA-N 347.463 1.346 0 40 EDAB COc1ccc(S(=O)(=O)N(C)[C@@H]2CCC(=O)N(C)C2)c(C)c1 585142106 OYRROBUJIVSIIX-GFCCVEGCSA-N 326.418 1.245 0 40 EDAB O=C(CN1C[C@H]2CCC[C@]2(CO)C1)N1CCN(c2ccccc2)CC1 1888864396 DMVXSLRLHIYMLX-YLJYHZDGSA-N 343.471 1.430 0 40 EDAB Cn1c(N2CCO[C@@H](C(=O)N3CCCCC3)C2)nc2cccnc21 1888903734 IQLZVGQQNMFEFE-CQSZACIVSA-N 329.404 1.186 0 40 EDAB Cc1cc(N2CCN(c3ccc4nccn4n3)CC2)n2nc(C)cc2n1 1888913636 HUXVZDJFVDSXDD-UHFFFAOYSA-N 348.414 1.715 0 40 EDAB CCN=c1nc(N2CCN(Cc3csc(C)n3)CC2)cc(C)[nH]1 1889098126 TZTGORNZJFFLNW-UHFFFAOYSA-N 332.477 1.726 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)/C=C/c1cccc(F)c1 30584100 PMPVSUYDKFAKFF-XVJNWHFHSA-N 340.420 1.769 0 40 EDAB CN(C1CN(c2ncnc(-c3ccccc3)c2F)C1)S(C)(=O)=O 1776008055 VGIIURIXSBGETG-UHFFFAOYSA-N 336.392 1.363 0 40 EDAB C[C@@H](C(=O)NCc1nc(-c2cc(C3CC3)on2)no1)n1cccn1 238904390 RTDNUJYLXOGSCD-VIFPVBQESA-N 328.332 1.676 0 40 EDAB CCn1ccc(C(=O)N2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)n1 2037984490 CHNWBUZDKHDQGQ-SFHVURJKSA-N 348.447 1.535 0 40 EDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)CCc2ccc[nH]2)C[C@H]2OCC[C@H]21 1565547967 ZLNYPUCWOTVOSR-GVDBMIGSSA-N 345.443 1.337 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C[C@@H](NCCCO)C(=O)O 4357156 YTTLRWHWBLPMJW-LLVKDONJSA-N 330.768 1.102 0 40 EDAB COc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CCOCC1 7456695 HNTZJBCOVVHEAQ-UHFFFAOYSA-N 329.356 1.022 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2cccc(F)c2)C1 2055772404 GGJUJDYCULLTSL-SFHVURJKSA-N 344.390 1.329 0 40 EDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)Cc2cccs2)CC1 2055772178 DJAMJXHBUYMOFZ-UHFFFAOYSA-N 346.456 1.593 0 40 EDAB Cc1ccc(CNC(=O)c2cn(C[C@H](O)c3ccsc3)nn2)o1 225582769 VOTVDRUNGJBTMN-AWEZNQCLSA-N 332.385 1.905 0 40 EDAB O=C(c1cc(Br)cs1)N1CC(Cn2ccnn2)C1 585385548 CXYTVUZFRCRONE-UHFFFAOYSA-N 327.207 1.874 0 40 EDAB NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21 4358981 QXEJJGOSPUEZIG-UHFFFAOYSA-N 335.319 1.384 0 40 EDAB CCOC(=O)c1cnn2ccc(NC(=O)c3snnc3C)cc12 85471545 MONASJLLGJEHCO-UHFFFAOYSA-N 331.357 1.923 0 40 EDAB CC1(C)[C@@H](C(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)[C@H]1C(=O)O 102445388 ITASIBIOHKWOKH-AZHAFVHUSA-N 330.384 1.151 0 40 EDAB biogenic CN1C[C@H](C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1=O 50379458 NHVBDWNYDDBWJR-ZBFHGGJFSA-N 334.391 1.812 0 40 EDAB CC(=O)NCCNC(=O)[C@@H](C)Oc1ccc(Br)cc1 40457469 NQUJQAUFKTVBIL-SECBINFHSA-N 329.194 1.469 0 40 EDAB CN(CC(=O)N1CCCC1)C(=O)c1ccccc1N1CCOCC1 69488447 GDJWOKUBUDHLRJ-UHFFFAOYSA-N 331.416 1.218 0 40 EDAB CN(C)c1cc(C(=O)NCCOc2ccc3c(c2)OCO3)ccn1 40541324 MMWGKZBZYKRDBM-UHFFFAOYSA-N 329.356 1.685 0 40 EDAB Cc1cnn(C[C@H]2CN(C[C@H](O)COCc3ccco3)CCO2)c1 69452204 NQAARPKEPZRVDH-DOTOQJQBSA-N 335.404 1.063 0 40 EDAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(OCC)cc1 569507 CHINIKQMLATDOT-UHFFFAOYSA-N 334.405 1.609 0 40 EDAB CCc1nn2c(=O)cc(CN3CCN(C4CCCC4)CC3)nc2s1 28967167 KQLIHRDOHDAILJ-UHFFFAOYSA-N 347.488 1.774 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@@H](c2ccccc2F)N1 11665680 HQAROHKMNRQBEB-ZUZCIYMTSA-N 331.347 1.455 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1 7264539 HPHGEJGGIJJUIH-UHFFFAOYSA-N 328.409 1.943 0 40 EDAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1ccc(OC(F)F)cc1 7327608 ITRJNMUIBVXSKH-UHFFFAOYSA-N 325.271 1.167 0 40 EDAB CCCCn1c(N)c(N(CC)C(=O)c2cccs2)c(=O)[nH]c1=O 7814019 LUHDUKCBLLVAMP-UHFFFAOYSA-N 336.417 1.647 0 40 EDAB CC[C@H](CNC(=O)Cn1nc(C)c2ccccc2c1=O)N1CCCC1 32661000 UMJYGHXUHOOQKJ-OAHLLOKOSA-N 342.443 1.696 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N3CCNCC3)CC2=O)cc1Cl 11866635 HLBMYYVPIBDDGY-LLVKDONJSA-N 337.807 1.133 0 40 EDAB CC(C)NC(=O)COC(=O)COc1ccc(Br)cc1 2657453 WCRDDQMIEDMKCV-UHFFFAOYSA-N 330.178 1.896 0 40 EDAB COc1cc(C(=O)OCC(=O)NCc2ccco2)cc(OC)c1OC 2652363 VLJRBVOASYXOAA-UHFFFAOYSA-N 349.339 1.779 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2)C1=O 21559234 KBEQOGNQTKKORK-WBMJQRKESA-N 338.791 1.800 0 40 EDAB CC[C@H](C)NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1 8626178 RIZOUDGDIGWXPC-ZDUSSCGKSA-N 341.429 1.617 0 40 EDAB COc1cc(C(=O)NCCS(=O)(=O)Nc2ccccn2)ccc1C 69737318 CNPBMQDVKMORRA-UHFFFAOYSA-N 349.412 1.570 0 40 EDAB Cc1csc2nc(CN3CCC[C@@H](Cn4cncn4)C3)cc(=O)n12 69703909 JVLFDDODJGJCMI-CYBMUJFWSA-N 344.444 1.568 0 40 EDAB O=c1cc(CN(C[C@@H]2CCCO2)C[C@H]2CCCO2)nc2ccccn12 52850191 MNKQFHSRGGQDJF-CALCHBBNSA-N 343.427 1.855 0 40 EDAB COC(=O)Cc1cc(=O)[nH]c(NC(=N)Nc2cccc(Cl)c2C)n1 9938574 CQGJUQHSISTJGN-UHFFFAOYSA-N 349.778 1.906 0 40 EDAB Cc1c(NC(=O)C[C@@H]2C[C@@H](C)OC2=O)c(=O)n(-c2ccccc2)n1C 538460 IGDNFLNDOAIBOD-YPMHNXCESA-N 343.383 1.765 0 40 EDAB CCOc1cccc([C@H](C)NC[C@@H]2CNc3c(C(N)=O)cnn3C2)c1 69739536 FWDJQPDFZNMEMR-QWHCGFSZSA-N 343.431 1.773 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)CC1 104617197 PTSYEASAIZWFBC-XQLPTFJDSA-N 337.489 1.373 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3cnc4[nH]nc(C)c4c3)CCO2)n1 83829989 ZFHJSZQYKHWSBV-LBPRGKRZSA-N 341.375 1.161 0 40 EDAB O=C1CC2(CCCC2)C(=O)N1CCS(=O)(=O)Oc1ccccc1 21576465 NAIZGFRPAFSLEF-UHFFFAOYSA-N 337.397 1.715 0 40 EDAB CC(C)(CNC(=O)c1ccc(F)cn1)CNC(=O)c1ccc(F)cn1 96502383 DWCBBBMWUJSHNE-UHFFFAOYSA-N 348.353 1.941 0 40 EDAB CN1CC[C@@H](C(=O)NCc2cccc(Cn3ccnc3)c2)CC1=O 47475790 XYELKAYUBVJGNH-MRXNPFEDSA-N 326.400 1.416 0 40 EDAB CCCN(CCC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 24232264 BPVNDQZXLZTNJB-UHFFFAOYSA-N 348.490 1.748 0 40 EDAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NC2CCN(CC(N)=O)CC2)o1 43122400 IYXOBMWOYGIEHB-SWLSCSKDSA-N 333.432 1.402 0 40 EDAB C[C@@H](NC(=O)NCCn1ccnc1)c1ccc2c(c1)NC(=O)CO2 43311002 UWPSLJOQSJKYIQ-LLVKDONJSA-N 329.360 1.274 0 40 EDAB Cc1cc(C(=O)Nc2cnn(C)c2)cc(S(=O)(=O)N(C)C)c1C 25306286 NZRCXYBFALJYBJ-UHFFFAOYSA-N 336.417 1.540 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)C[C@@H]1N1CCOCC1 107058007 ADRAXMSXDBPEKS-PVAVHDDUSA-N 330.428 1.417 0 40 EDAB NC(=O)[C@H](NCc1ccccc1CN1CCOCC1)c1ccccc1 26221325 ISSJVHWQASKTHW-LJQANCHMSA-N 339.439 1.835 0 40 EDAB O=C(NCc1ccnc(OCC(F)(F)F)c1)NC[C@@H]1COCCO1 57081358 RYANOEBXUHLWLA-LLVKDONJSA-N 349.309 1.237 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=O)CN2C(=O)CCCC2=O)c(C)c1 58158479 RVVPKGYHCRTEFM-UHFFFAOYSA-N 345.399 1.206 0 40 EDAB Cc1ccc(CNC(=O)c2nnc(CN3CCO[C@@H](C)C3)s2)cc1 27576745 YDMSZWSWODFPAS-ZDUSSCGKSA-N 346.456 1.997 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 44870983 CIOMFUHJDVCMJJ-UHFFFAOYSA-N 339.395 1.268 0 40 EDAB CC(C)CC(=O)N1CCC(NC(=O)[C@@H]2COc3ccccc3O2)CC1 58283113 IFYUVPASKGECKZ-KRWDZBQOSA-N 346.427 1.980 0 40 EDAB CCn1cnnc1CNC(=O)CCC(=O)c1ccc2c(c1)OCCO2 44942266 GIRNSIHXMLDIHO-UHFFFAOYSA-N 344.371 1.349 0 40 EDAB NC(=O)Nc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1 58329939 OCJYOOLWKSVJTO-CQSZACIVSA-N 344.415 1.442 0 40 EDAB O=C(CCCN1C(=O)S/C(=C/c2ccccc2)C1=O)NCCO 2206841 OXJSKNNKJVELAB-ACCUITESSA-N 334.397 1.612 0 40 EDAB O=C(c1cnn(Cc2ccccc2)c1)N1CCC2(CC1)OCCO2 28023858 GACOIDBJJJWBTP-UHFFFAOYSA-N 327.384 1.911 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NCc1ccnc(N2CCCC2)c1 48343633 RZPBDDIEONLGKX-AWEZNQCLSA-N 328.420 1.766 0 40 EDAB Cc1nnc2ccc(NC[C@@H](CN(C)C)[C@@H](O)c3ccccc3)nn12 48345557 KZPJZUIIZDRRLZ-YJBOKZPZSA-N 340.431 1.756 0 40 EDAB C[C@]1(C2CCN(C(=O)Nc3cccc(F)c3)CC2)NC(=O)NC1=O 80780814 QQCGVELBQDMLJT-MRXNPFEDSA-N 334.351 1.668 0 40 EDAB CC(=O)N[C@@H](CC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 3408715 HHLJVBVTMHUDFN-INIZCTEOSA-N 325.368 1.992 0 40 EDAB Cn1c(CSc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 63414803 JPNZEBLDAAQTJC-UHFFFAOYSA-N 336.804 1.906 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CCCN1C(=O)OCC(F)(F)F 68643811 QQQNJCWYNMZHAS-LLVKDONJSA-N 331.294 1.861 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)O 4200493 OCUPRYIVNSSKQN-ZDUSSCGKSA-N 329.374 1.235 0 40 EDAB COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(-c3ccn[nH]3)cc2)CN1C 65425039 DOPJKLKFTHYGKQ-HIFRSBDPSA-N 328.372 1.052 0 40 EDAB C[S@](=O)Cc1cccc(C(=O)NCC(=O)Nc2nccs2)c1 65515288 NAVNQXFAPAPTBQ-JOCHJYFZSA-N 337.426 1.390 0 40 EDAB NS(=O)(=O)c1ccc(CC(=O)NCCc2cccc(F)c2)cc1 65547703 DMWPXKXHGCSXEH-UHFFFAOYSA-N 336.388 1.375 0 40 EDAB O=C(COCC(=O)N[C@H]1CCc2ccccc21)NCc1cccnc1 65565752 AJZUBIZTJQSBOX-KRWDZBQOSA-N 339.395 1.518 0 40 EDAB CN(CCN1CCCC1)C(=O)CCc1nc(-c2cccnc2)no1 65565897 FFBKQCVEQMXMPP-UHFFFAOYSA-N 329.404 1.618 0 40 EDAB CC1CCN(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC1 14121606 ORAPUNHDGGBTGL-OAHLLOKOSA-N 329.400 1.408 0 40 EDAB CCc1noc(CS(=O)(=O)Cc2nc(Cc3ccccc3)no2)n1 69568759 FWGOGJJIOTZBED-UHFFFAOYSA-N 348.384 1.721 0 40 EDAB C[C@@H](Oc1ccccc1Cl)C(=O)N(C)CCN1CCOCC1 69509170 WHKGRBACVHHYDY-CYBMUJFWSA-N 326.824 1.898 0 40 EDAB CCn1cc(S(=O)(=O)N(C)Cc2c(C)nn(CC)c2C)c(C)n1 14229744 VGTQWQVOQATAJH-UHFFFAOYSA-N 339.465 1.865 0 40 EDAB CC(=O)N[C@H](C(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1)C(C)C 6505071 SRPQNPXKRCZZQJ-HZMBPMFUSA-N 331.372 1.688 0 40 EDAB Cn1c(Cl)cnc1CN1CCCN(C(=O)C[C@@H]2CCCO2)CC1 69663253 QAQSFQHTAIOHFC-ZDUSSCGKSA-N 340.855 1.677 0 40 EDAB COCCOc1ccc(CNC[C@H]2CNc3cc(C)nn3C2)cn1 69371418 DCRGYNUVNANLRS-HNNXBMFYSA-N 331.420 1.443 0 40 EDAB NC(=O)[C@H]1CN(C(=O)C2(c3ccc(F)cc3F)CCCC2)CCO1 90012267 ZIGCEACEPNARJU-CQSZACIVSA-N 338.354 1.489 0 40 EDAB CO[C@H](CNC(=O)N1CCN([C@H](C)C(F)(F)F)CC1)C(C)C 89791340 OBFREJPFQFBQOF-VXGBXAGGSA-N 325.375 1.935 0 40 EDAB NC(=O)[C@@H]1CN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CCO1 89764385 UWBJQUZIWWGKKM-JTQLQIEISA-N 343.170 1.734 0 40 EDAB Cc1cccc(C2(CNC(=O)CCNS(C)(=O)=O)CCCC2)c1 71185828 QDRHDEUUZDLHBA-UHFFFAOYSA-N 338.473 1.862 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2coc(-c3ccccc3)n2)n(C)c1=O 9154846 MSJLPPWNFVJLTA-UHFFFAOYSA-N 337.339 1.137 0 40 EDAB CC(C)c1nc([C@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)no1 72232155 YDUGLVYJNUGBCV-ZDUSSCGKSA-N 330.388 1.912 0 40 EDAB O=C(NCCOc1ccc(Cl)cc1)N1CCS(=O)(=O)CC1 71803849 OKFHISQVDRHXKB-UHFFFAOYSA-N 332.809 1.159 0 40 EDAB CCn1cc(CC(=O)N2CCCN(C(N)=O)CC2)c2ccccc21 71847503 OPMLZJSHGUTUKK-UHFFFAOYSA-N 328.416 1.817 0 40 EDAB COC(=O)[C@@H](CNC(=O)Nc1cc(C)on1)Cc1ccc(O)cc1 71847161 AZJSREOQOQNJBM-GFCCVEGCSA-N 333.344 1.842 0 40 EDAB C[C@H](CNC(=O)NCCn1c(=O)oc2ccccc21)Cn1cccn1 72270151 WAGZLFKUUQSVHM-CYBMUJFWSA-N 343.387 1.427 0 40 EDAB Cc1cnn(CCN[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)c1 72253116 RBJVQUZUKYXBDJ-GOEBONIOSA-N 328.416 1.810 0 40 EDAB O=C1C[C@H](C(=O)N[C@@H]2CCc3nccn3C2)c2ccc(F)cc2N1 97197754 PKVJPKGPZNTESU-YPMHNXCESA-N 328.347 1.579 0 40 EDAB O=C(Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O)Nc1ccco1 72332256 ZZWUEQSXOOCIPC-UHFFFAOYSA-N 329.287 1.370 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1nc(C(C)(C)C)cs1 89913555 XYSVCZBONFWGQD-NXEZZACHSA-N 345.490 1.988 0 40 EDAB C[C@H]1CN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)O1 95377655 NQCWAHBPUNLUHH-STQMWFEESA-N 337.420 1.267 0 40 EDAB CC[C@H](C)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 95395512 IQZNHKWTFYAZAS-LBPRGKRZSA-N 340.449 1.148 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3cnnc3)c2)o1 95393222 RSBJONQETBKSBN-UHFFFAOYSA-N 348.340 1.448 0 40 EDAB CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cnn2ccccc12 84736405 KZKIUZDJAGXUOC-ZFWWWQNUSA-N 336.461 1.484 0 40 EDAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCc2nn(C)c(=O)cc2C1 76064742 OOPRSYIRIIHBTL-GFCCVEGCSA-N 337.383 1.950 0 40 EDAB CCCCc1nnc(S[C@H]2CCN(CC(F)(F)F)C2=O)n1N 76065393 UMBPEIASCGXNRF-QMMMGPOBSA-N 337.371 1.590 0 40 EDAB CC(=O)N1CCN([C@H]2CN(Cc3cccc(F)c3F)C[C@H]2C)CC1 76055732 PPWUGZPQCKGJSO-DYVFJYSZSA-N 337.414 1.949 0 40 EDAB C[C@@H](C(=O)Nc1nccs1)N1CCO[C@H](CNc2cccnn2)C1 76049890 ZZSFOTLQKAMYAH-NWDGAFQWSA-N 348.432 1.073 0 40 EDAB Cc1cc(C(=O)NCCS(N)(=O)=O)c(C)cc1Br 95982577 UZCXZEDHBJOCKP-UHFFFAOYSA-N 335.223 1.084 0 40 EDAB CC(C)N1C(=O)C[C@@H](NC(=O)Cc2cccc3cccnc23)C1=O 95963846 PJQZRZXCGLLLGX-CQSZACIVSA-N 325.368 1.429 0 40 EDAB CCc1nc(Cl)c(C)c(N[C@H]2CCCN(S(C)(=O)=O)C2)n1 75092945 MKAIXLOWIKULCU-JTQLQIEISA-N 332.857 1.837 0 40 EDAB COC(=O)CCCS(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 75109588 KQMFMWDTIWPVAZ-MGPQQGTHSA-N 334.482 1.225 0 40 EDAB O=C(CCCOc1ccc(F)cc1F)N1CCN(CCO)CC1 78783496 AUCDJBFVLUTRKP-UHFFFAOYSA-N 328.359 1.260 0 40 EDAB Cc1cc(N2CCC(N(C)Cc3cc(=O)c(O)co3)CC2)nc(C)n1 78969126 YZQWXPLHVWAJCD-UHFFFAOYSA-N 344.415 1.853 0 40 EDAB C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1cnn2c1OCCC2 551827140 LMXSHLGKHOIXLR-GFCCVEGCSA-N 328.372 1.354 0 40 EDAB COc1c2c(cc3c1OCO3)[C@]13C=C[C@@H](OC)C[C@@H]1N(C2)C[C@@H]3O 36385211 QAHZAHIPKNLGAS-OEAXYECKSA-N 331.368 1.195 0 40 EDAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC[C@@H](C)Cn1cccn1 36615000 WBBUYYJCSFHQDX-SECBINFHSA-N 347.391 1.706 0 40 EDAB COCCn1ccc(=O)c(OCC(=O)Nc2ncccc2C)c1C 524733274 KUUCVQKEFKNPKU-UHFFFAOYSA-N 331.372 1.524 0 40 EDAB CCn1nc(C)c(NC(=O)c2cc(C)nc(N3CCOCC3)n2)c1C 71195481 KJUPMANIKWBQRT-UHFFFAOYSA-N 344.419 1.707 0 40 EDAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 218601974 GYOCTJNJWBUSNI-RCCFBDPRSA-N 330.453 1.845 0 40 EDAB CCCCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 217551441 KNWTZWKVFPFATN-UHFFFAOYSA-N 342.417 1.300 0 40 EDAB O=C(O)[C@@H]1CC(=O)N(c2cccc(I)c2)C1 34957733 FIAVPOKNFRVWCA-SSDOTTSWSA-N 331.109 1.729 0 40 EDAB NCC(=O)N(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 79393000 WFUMRLFJPYLNPZ-INIZCTEOSA-N 345.443 1.985 0 40 EDAB O=C(c1ccc(Cl)cc1)N(CCCO)[C@@H]1CCS(=O)(=O)C1 217372217 XJOCOIREZITFLI-CYBMUJFWSA-N 331.821 1.352 0 40 EDAB CC(C)(C)N1C[C@@H](NC(=O)CC2(n3cccc3)CCOCC2)CC1=O 1565524285 DXXFLNLOHYYAPS-HNNXBMFYSA-N 347.459 1.900 0 40 EDAB C[C@@H](C(=O)NCCc1nnc2ccccn12)N1CCc2ccccc2C1 78926402 CXFKSNZFFGGUIP-HNNXBMFYSA-N 349.438 1.835 0 40 EDAB O=C(NCc1nnc2ccccn12)NC[C@H]1COc2ccccc2O1 31028993 OHQXGIQLNGCKOP-LBPRGKRZSA-N 339.355 1.369 0 40 EDAB COc1ncc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 218762897 ZJXHAZQZBDAMNM-HNNXBMFYSA-N 326.356 1.752 0 40 EDAB COCCNC(=O)Cn1ncc2c3oc(C)cc3n(C(C)C)c2c1=O 72335360 OXTRAAOVNWBMNF-UHFFFAOYSA-N 346.387 1.596 0 40 EDAB Cc1cc(CCC(=O)NCc2ccncc2)nc([C@H]2CCCNC2)n1 72366933 GVCZGNCDVUMQAV-INIZCTEOSA-N 339.443 1.896 0 40 EDAB Cc1noc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)c1C 562415293 JBHRWONGDDAOJL-FZMZJTMJSA-N 331.376 1.491 0 40 EDAB O=S(=O)(c1cccc2c1OCCO2)N1CCOC[C@H]1CC(F)F 329071929 NYHTXWBJNYYFII-SNVBAGLBSA-N 349.355 1.503 0 40 EDAB COCCN1CCC[C@H](NS(=O)(=O)c2cccc3c2OCC3)C1 521394840 UXDQNTBXGCADRH-AWEZNQCLSA-N 340.445 1.011 0 40 EDAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H]1COC[C@H]1O 574613388 SOPVUHWPNHRSEJ-HZPDHXFCSA-N 333.363 1.047 0 40 EDAB CN(CCO)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 48221845 QVCSHCDQEIKUHF-UHFFFAOYSA-N 336.395 1.923 0 40 EDAB CC1(C)COc2ccc(C(=O)NCCN3CCOCC3)cc2OC1 225362622 KBKUKQRWJOPCKS-UHFFFAOYSA-N 334.416 1.546 0 40 EDAB CNC(=S)Nc1ncc(Br)nc1Br 223864108 NYJBOYBOXMUVSH-UHFFFAOYSA-N 326.017 1.918 0 40 EDAB CNC(=O)c1nn(Cc2nc(C)c(C)s2)c(=O)c2ccccc12 88510453 GFMOVLYZRHSDLN-UHFFFAOYSA-N 328.397 1.878 0 40 EDAB CCCNC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224273940 ICXGTCKXGMXMOH-UHFFFAOYSA-N 329.422 1.025 0 40 EDAB COc1ccc(CN2C[C@@H](C)[C@@]3(CCN(CCN(C)C)C3=O)C2)cc1 96070282 MGRNCKSWYOQSHQ-OXQOHEQNSA-N 345.487 1.927 0 40 EDAB O=C(CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1)N1CCCCCC1 96402266 DUDQCZWUYVUDOT-RCCFBDPRSA-N 347.503 1.969 0 40 EDAB CO[C@@](C)(C(=O)N1CC(n2nc(C)nc2C)C1)c1ccccc1F 581385496 XXELNGVJTJSVNX-QGZVFWFLSA-N 332.379 1.979 0 40 EDAB C[C@@H](NCC(=O)N(C)C1CC1)c1ccc(S(C)(=O)=O)c(F)c1 96491994 NGGLLKTTZFLVNR-SNVBAGLBSA-N 328.409 1.501 0 40 EDAB Cc1nc(-c2ccccc2)cc(N2CCN(S(C)(=O)=O)CC2)n1 94986182 ORICAVYWJRLGDL-UHFFFAOYSA-N 332.429 1.534 0 40 EDAB O=C(N1CCCC1)[C@]1(O)CCCN(Cc2nc3ccccc3o2)C1 576843732 HUKCDJVBPQFFSN-SFHVURJKSA-N 329.400 1.777 0 40 EDAB C[C@@H]1CCN(C(=O)NCCc2cccc(C(N)=O)c2)C[C@H]1C(=O)O 578067519 SLULFGHQUFYETL-BXUZGUMPSA-N 333.388 1.080 0 40 EDAB O=C(CNC(=O)c1c(F)cccc1Cl)Nc1ccnc2ccnn12 96409662 VYZDVUDREKTUGG-UHFFFAOYSA-N 347.737 1.890 0 40 EDAB CCc1ccccc1NC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 96410807 YYNPWVBGXUJCHL-AWEZNQCLSA-N 341.415 1.316 0 40 EDAB C[C@@H](c1ccc(Cl)cc1)N1CCN(CCNS(C)(=O)=O)CC1 96441553 WRFHTSOAUCYKHY-ZDUSSCGKSA-N 345.896 1.568 0 40 EDAB C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1S(=O)(=O)c1cn(C)cn1 96415052 LNQVHFSECXWSPD-WWGRRREGSA-N 335.429 1.959 0 40 EDAB CCCCn1nnnc1CN1CCN(C(=O)c2cscn2)[C@@H](C)C1 582472404 PZNBYEZHRVMIIP-LBPRGKRZSA-N 349.464 1.276 0 40 EDAB NC(=O)CN(Cc1ccccc1)C(=O)c1cc(F)c(F)c(O)c1F 97374641 FOFDWOXAOHORRY-UHFFFAOYSA-N 338.285 1.937 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CN(c1ncccn1)CCO2 96159018 RKHOAIJLJFRUJG-UHFFFAOYSA-N 328.420 1.082 0 40 EDAB Cc1nccc([C@@H]2C[C@@H]3CCN(C(=O)c4ccnnc4)C[C@H]3O2)n1 96046364 ZGRSMZPPKTWTAC-VBNZEHGJSA-N 325.372 1.567 0 40 EDAB Cc1ccc(N[C@@H]2CO[C@]3(CCN(C(=O)C4CC=CC4)C3)C2)nn1 96219576 GCCOHINAXLJXFQ-MAUKXSAKSA-N 328.416 1.923 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)OC1CCN(C(=O)OC(C)C)CC1 96405839 ZCUNHKNFGJLIHE-AWEZNQCLSA-N 326.393 1.550 0 40 EDAB O=C1NC[C@H](COc2ccccn2)[C@]12CCN(Cc1ccoc1)C2 96215141 HOSWFQOHNKCBRW-CRAIPNDOSA-N 327.384 1.692 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(CCOc2ccccc2)C1 583619021 VNVPOOLFJLFIPG-CVEARBPZSA-N 339.399 1.965 0 40 EDAB Cn1ccc(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)n1 248159607 WXLCUKJSRREAMS-AWEZNQCLSA-N 342.399 1.515 0 40 EDAB Cc1cc(CN2CC3(C[C@@H](Oc4cccnc4)CCO3)C2)n(C)n1 248036763 MYTLAFHCPNNSNJ-INIZCTEOSA-N 328.416 1.936 0 40 EDAB COc1cc(N2CC3(C[C@@H](OCc4ccccn4)CCO3)C2)ncn1 247908452 TVCVJUMQFKMJNT-HNNXBMFYSA-N 342.399 1.835 0 40 EDAB CCCCNS(=O)(=O)c1cccc(S(=O)(=O)NCCCC)c1 255187275 CLAGCQPADNVUKL-UHFFFAOYSA-N 348.490 1.843 0 40 EDAB O=C1[C@@H](NS(=O)(=O)N2CCc3ccccc3C2)C[C@H]2CCCCN12 584399533 QAKDPPWUICHFJA-CVEARBPZSA-N 349.456 1.033 0 40 EDAB Cc1ccnn1CCC(=O)N(C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257213989 CJYYDLLBNWSWHQ-JFIYKMOQSA-N 344.415 1.406 0 40 EDAB CNC(=O)C1(CCCc2ccncc2)CN(Cc2cnn(C)c2)C1 257205274 AYILSVYWAUTWMG-UHFFFAOYSA-N 327.432 1.386 0 40 EDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2cc(C)on2)n1 257240049 HRVBRQAOHOVSIU-MRXNPFEDSA-N 328.372 1.991 0 40 EDAB Cc1ncoc1C(=O)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 257309304 UAJWQCRSWDGXGM-MRXNPFEDSA-N 334.351 1.278 0 40 EDAB O=C(CC1(O)CCCCC1)N1CCC[C@@](O)(CN2CCCC2)CC1 257251645 JRORBLDVKVEGCG-IBGZPJMESA-N 338.492 1.911 0 40 EDAB COCCC(=O)N[C@H](C(=O)O)c1c(C)nn(-c2ccc(F)cc2)c1C 585134234 JGKHUCBWFQSWEX-INIZCTEOSA-N 349.362 1.907 0 40 EDAB O=C([C@@H]1Cc2ccccc2CN1C(=O)COCC1CC1)N1CCCC1 585145699 CWABPJWZUQIGMW-SFHVURJKSA-N 342.439 1.989 0 40 EDAB COc1c(NC(=O)N2CCOCC2)cc(Cl)cc1C(=O)N(C)C 252506291 VYOQCLXPJLRZPK-UHFFFAOYSA-N 341.795 1.915 0 40 EDAB COC[C@@H](O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C 252501949 UMKOAOIFTMEJLF-NSHDSACASA-N 341.351 1.642 0 40 EDAB CCn1cc(C(=O)N2CCC(c3cc(O)n4nccc4n3)CC2)cn1 257276872 NVMFLCRBOLDGQS-UHFFFAOYSA-N 340.387 1.671 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@H](O)[C@H]2O)nc1 257227953 FRSVGQOJCZAJIJ-BGTYHANMSA-N 342.395 1.452 0 40 EDAB Cc1cc(C)nc(-n2nccc2NC(=O)N2CC[C@](C)(C(=O)O)C2)n1 263020930 JEKIDIIABPJYTP-INIZCTEOSA-N 344.375 1.608 0 40 EDAB CN1C[C@@]2(C)CN(C(=O)c3c[nH]c4ccccc34)C[C@@](C)(C1)C2O 32124077 ZWXXWQXGNIKCTR-YQQQUEKLSA-N 327.428 1.943 0 40 EDAB biogenic Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)no1 390831493 SDRVTSKDMTUGGF-HNNXBMFYSA-N 334.397 1.985 0 40 EDAB COc1ccc(CC(=O)N(C)[C@@H]2COC[C@@H](OC)[C@H]2OC)cc1C 585288077 OYCWQATYXQPDMJ-KYJSFNMBSA-N 337.416 1.433 0 40 EDAB Cc1ccc(N2CCC(O)(CN3CCC[C@](C)(C(N)=O)C3)CC2)cc1 585282540 GFHCDIMYOLAZFM-IBGZPJMESA-N 345.487 1.914 0 40 EDAB COc1ncc(CN2CC[C@@](O)(COc3cccc(C)c3)C2)cn1 585268895 CXIQOKDZOUKYTB-SFHVURJKSA-N 329.400 1.809 0 40 EDAB CO[C@]1(COc2ccccc2C)CCN(CC(=O)N2CCOCC2)C1 585277965 YRAUESOFFOZGML-LJQANCHMSA-N 348.443 1.324 0 40 EDAB CCNC(=O)N1CCN(C(=O)CCOc2ccccc2Cl)CC1 68251569 BODNDRAXXCUIDA-UHFFFAOYSA-N 339.823 1.983 0 40 EDAB CCNC(=O)c1cccc(NC(=O)N[C@H](C)C(=O)N[C@H](C)CC)c1 62378621 JDFXGWUFBFXPLL-VXGBXAGGSA-N 334.420 1.861 0 40 EDAB c1ccc(-n2nnnc2CCCN2CCC[C@@H]2Cn2cncn2)cc1 70040877 YCSOPKPXKUSRGW-MRXNPFEDSA-N 338.419 1.351 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(CCO)CC1 78762580 KPNUQYSGPUGETG-UHFFFAOYSA-N 336.480 1.225 0 40 EDAB CCN(CC)[C@@H]1CCN(S(=O)(=O)c2csc(C(=O)O)c2)C1 106365046 HZCZPKQDEBYRQN-SNVBAGLBSA-N 332.447 1.551 0 40 EDAB COc1cc(N2CCN(c3cc(C)nc(C4CC4)n3)CC2)ncn1 185991649 UVEBRPGBEFCAAR-UHFFFAOYSA-N 326.404 1.788 0 40 EDAB C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)c2ccccc21 571953362 RSOAGRVAESRFGG-VGVSJJQXSA-N 342.439 1.971 0 40 EDAB CO[C@@](C)(C(=O)NCc1ccc2c(N)noc2c1)C(=O)OC(C)(C)C 600025836 USECIUHFWVFEIH-KRWDZBQOSA-N 349.387 1.773 0 40 EDAB Cn1nc(C2CCOCC2)cc1C(=O)Nc1csc(C(N)=O)c1 1615612662 JRLRCJOJTRRUTM-UHFFFAOYSA-N 334.401 1.727 0 40 EDAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 16093415 VWTYSNJVIOAZQV-SNVBAGLBSA-N 343.401 1.727 0 40 EDAB CCCCNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16638819 OMHVJCNXOVEDAZ-UHFFFAOYSA-N 348.852 1.885 0 40 EDAB O=C(NCCn1nc([C@@H]2CCNC2)c2cccnc21)[C@H]1CC=CCC1 19346724 RABADMAGKBJXIN-LSDHHAIUSA-N 339.443 1.981 0 40 EDAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC[C@@H](C)N1CCCC1 19577616 ZXPQXXBFZWPCFA-SECBINFHSA-N 336.408 1.658 0 40 EDAB CCOC(=O)c1ccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1 19937459 INUWVYABCLCSJF-UHFFFAOYSA-N 329.356 1.745 0 40 EDAB CN1CCC[C@H](C(=O)NCc2nnc3c(C(F)(F)F)cccn23)C1 575617314 SIPHRTPOVPGODX-JTQLQIEISA-N 341.337 1.706 0 40 EDAB COc1cc(N2CCN(c3cc(C4CCC4)ncn3)CC2)ncn1 1889096843 RGZVSDMZFOMHAU-UHFFFAOYSA-N 326.404 1.869 0 40 EDAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1C[C@H](C)O[C@H](C)C1 28655969 BWBXWSUFAFGZAR-FRRDWIJNSA-N 340.445 1.767 0 40 EDAB COc1ncccc1CNC(=O)NCc1ccc(-n2ccnc2)nc1 29734699 DAZPTQFTQIXQCW-UHFFFAOYSA-N 338.371 1.670 0 40 EDAB O=S(=O)(c1c[nH]cn1)N1CC[C@@H](Oc2cccc3cccnc23)C1 245015250 LTDLKUQMXMPRKF-CYBMUJFWSA-N 344.396 1.800 0 40 EDAB CC(C)N1C[C@@]2(COCC1=O)CN(CCc1ccccc1)CCO2 2037981064 SPEMMHQUGWUEQD-LJQANCHMSA-N 332.444 1.567 0 40 EDAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)N2CCOCC2)CC1 1889133963 RDQRFLVZZRLHGG-UHFFFAOYSA-N 339.827 1.483 0 40 EDAB O=C(c1nc2ccccc2s1)N1CC[C@@H](N2C(=O)COC2=O)C1 225699530 HHSAACKXWAFMOD-SECBINFHSA-N 331.353 1.490 0 40 EDAB O[C@H]1c2cc(-c3ccncc3)nn2[C@H](O)c2cc(-c3ccncc3)nn21 618255065 GMRPANPBESHOGZ-HDICACEKSA-N 346.350 1.595 0 40 EDAB C[C@@H]1CN(c2cc(C(F)(F)F)ncn2)CCN1Cc1cnn(C)c1 2298028484 GAGLIFZLAKMYFX-LLVKDONJSA-N 340.353 1.940 0 40 EDAB Cc1ccccc1-n1ncc2c(N[C@H]3CCS(=O)(=O)C3)ncnc21 35586161 RSQGFFXWGWABLT-LBPRGKRZSA-N 343.412 1.723 0 40 EDAB COC(=O)[C@H]1Cc2nc[nH]c2[C@@H](c2ccc(OC)c(OC)c2OC)N1 20112672 ATQORWOXDFORGB-DGCLKSJQSA-N 347.371 1.212 0 40 EDAB biogenic O=C(NCCNC(=O)N1CCSCC1)c1ccccc1Cl 45570554 OZOHZDNJTMGQSU-UHFFFAOYSA-N 327.837 1.828 0 40 EDAB Cc1nc(NCCS(N)(=O)=O)c2c(CC(C)C)csc2n1 40555554 ZUFRWTFLORCJDL-UHFFFAOYSA-N 328.463 1.899 0 40 EDAB Cc1nc(-c2ccncc2)sc1C(=O)N1CCC(C(N)=O)CC1 31868090 RPPBEEZNAIUUJD-UHFFFAOYSA-N 330.413 1.851 0 40 EDAB CN1CCN(c2cc(CNC(=O)NCc3ccoc3)ccn2)CC1 45845863 HENRRAPMHKHKJL-UHFFFAOYSA-N 329.404 1.426 0 40 EDAB COc1cc([C@@H](C)[C@@H](C(=O)O)C(=O)C(=O)O)cc(OC)c1OC 1594999 DLBCTFGHLRLHQU-RDDDGLTNSA-N 326.301 1.170 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCC[C@@H](C(=O)O)C2)C1=O 96571724 NQOYUJXACCMPMY-QWHCGFSZSA-N 346.383 1.514 0 40 EDAB CCS(=O)(=O)N(CC(=O)NCCCOC)c1ccc(OC)cc1 32109785 IAPBOKMPBIHKAU-UHFFFAOYSA-N 344.433 1.004 0 40 EDAB Cc1csc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)n1 20726585 HRYCQRPKCMCDHC-UHFFFAOYSA-N 343.416 1.744 0 40 EDAB O=C(c1cn(Cc2cccc(F)c2)nn1)N1CC[C@H](N2CC=CC2)C1 101632521 KWKDOBBHQUZIJE-INIZCTEOSA-N 341.390 1.552 0 40 EDAB CC1(C)S[C@H]2[C@H](C(=O)O)N=C(Cc3ccccc3)N2[C@@H]1C(=O)O 4887239 PSPRNQOVLYLHSA-UPJWGTAASA-N 334.397 1.701 0 40 EDAB in-vitro O=S1(=O)CC[C@@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)C1 7308501 YANLQULRXGSUKT-CYBMUJFWSA-N 329.443 1.031 0 40 EDAB COc1ccccc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101419962 DDLBOUZGHOUUTE-PVIIJVKYSA-N 340.379 1.829 0 40 EDAB CCn1c(S)nc2cc(C(=O)NCC(F)(F)F)ccc2c1=O 102337384 ULMNJWVAXCLKAN-UHFFFAOYSA-N 331.319 1.997 0 40 EDAB CC(C)COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[C@H]4CCCO4)C(=O)[C@H]13)O2 490206 VJZIHLZSWKYKRS-KAYRBKQESA-N 335.400 1.147 0 40 EDAB biogenic C[C@H](Oc1ccccc1)C(=O)OCC(=O)NC(=O)NCc1ccco1 2643471 WSBQEXJHVHNJJX-LBPRGKRZSA-N 346.339 1.616 0 40 EDAB O=C(O)[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@H]12 11990849 OKWDWXQSIUNHER-OYNCUSHFSA-N 335.362 1.662 0 40 EDAB biogenic CN1CCN(c2ccc(Nc3nc4c(c(=O)[nH]3)CCC4)cc2)CC1 11991370 XDBICKRQQOXXMG-UHFFFAOYSA-N 325.416 1.754 0 40 EDAB Cc1ccc(Cn2cnc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)n2)cc1 102015067 KCDNGGLMXIMIEC-ZQDZILKHSA-N 338.367 1.302 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 24480616 DNFZXLHQIVYTPP-KRWDZBQOSA-N 340.427 1.470 0 40 EDAB COCCOCC(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 46922965 CCSCZJLONDTFMP-LLVKDONJSA-N 327.377 1.553 0 40 EDAB Cc1cccc(CN2CCN(C(=O)c3ncccc3O)[C@@H](C)C2=O)c1 55308010 DRDVZIHLKXOXKA-AWEZNQCLSA-N 339.395 1.969 0 40 EDAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCC2(CC1)OCCO2 24996464 ZPHGTVKTPVEZMQ-UHFFFAOYSA-N 344.411 1.721 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 25301060 ITWNXOFIRHFNRK-STQMWFEESA-N 340.383 1.665 0 40 EDAB CCN(CC)C(=O)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F 43728518 HDDGEXHDZUKOMM-UHFFFAOYSA-N 329.282 1.869 0 40 EDAB O=C(NCc1cc[nH]n1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107362604 XJRHGPFZFJNZDB-SJORKVTESA-N 341.415 1.205 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1ccn(-c2ccc(F)cc2)n1 47693533 KHEOGBZBMPUSLE-UHFFFAOYSA-N 348.359 1.437 0 40 EDAB Cc1c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccccc1 44457123 MTOXOZNRGBASPX-ZDUSSCGKSA-N 333.413 1.345 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)Cc1nn(C)c(=O)c2ccccc12 10031775 RXSPVQCZELYDII-OAHLLOKOSA-N 345.399 1.180 0 40 EDAB O=C(NCCc1cc(F)cc2c1OCOC2)c1ccc2nncn2c1 58267097 NOWDRLBMZONDAL-UHFFFAOYSA-N 342.330 1.707 0 40 EDAB COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCO3)[C@@H](C)C2)cc1 58316555 AFIAVYVWYXFSSY-BBRMVZONSA-N 332.400 1.689 0 40 EDAB CCOC(=O)[C@@H](CNS(=O)(=O)N(C)C(C)C)Cc1ccccc1 58363539 FSGUHDKHWKITRR-OAHLLOKOSA-N 342.461 1.583 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)CN1CCCCCCC1=O 58415273 GQZLNDSRXQLECV-UHFFFAOYSA-N 327.425 1.420 0 40 EDAB NC(=O)C1(CNC(=O)CCn2ccc3ccccc32)CCOCC1 47931171 KMLZBHMMENPJQS-UHFFFAOYSA-N 329.400 1.430 0 40 EDAB CS(=O)(=O)c1ccc([C@H](O)CNC[C@@H]2Cc3ccccc3O2)cc1 69153763 SGUZWMUCWFBYAI-DOTOQJQBSA-N 347.436 1.717 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)OCCN2C(=O)c3ccccc3C2=O)C1 10703735 JVFCUGDINQCYFB-CYBMUJFWSA-N 344.367 1.084 0 40 EDAB O=C(Cn1nnnc1-c1ccc(Br)cc1)N1CCCC1 8297632 NQHAMCCKBUPPLZ-UHFFFAOYSA-N 336.193 1.725 0 40 EDAB Cc1csc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)n1 8230794 FMMNSDRNCLTZBV-UHFFFAOYSA-N 338.414 1.194 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 48340724 OLKYIXLHMPDQCS-ZDUSSCGKSA-N 339.399 1.236 0 40 EDAB OC1CCN(C[C@H](O)COCCOc2ccc(Cl)cc2)CC1 12855309 SISFHAGFFBILPT-HNNXBMFYSA-N 329.824 1.553 0 40 EDAB Cc1cccc2nc(C(=O)N3CCC(CN4CCOCC4)CC3)cn12 48479956 CZUDPQIWFQUQPY-UHFFFAOYSA-N 342.443 1.827 0 40 EDAB CCOc1ccc(C(=O)COC(=O)c2nc3nccc(C)n3n2)cc1 8346098 OCRCWAXSUYTPND-UHFFFAOYSA-N 340.339 1.871 0 40 EDAB Cc1cnn(C[C@H]2CN(CC(=O)N(C)Cc3cccs3)CCO2)c1 69451519 CPLQGZPDJHGCBB-OAHLLOKOSA-N 348.472 1.612 0 40 EDAB Cc1cc(C)n2cc(CN3CCC[C@H]3C(=O)N3CCOCC3)nc2n1 69443979 MVKHBLLGARQXRH-INIZCTEOSA-N 343.431 1.169 0 40 EDAB CC[C@H](C)[C@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)OC 69622234 WDTDKCDGPJXQQQ-ZBEGNZNMSA-N 338.379 1.188 0 40 EDAB CCOc1ncccc1C(=O)N1CCC(Nc2cccnn2)CC1 69655091 VTFCKHHRWQRVLM-UHFFFAOYSA-N 327.388 1.987 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)NCC(=O)Nc2ccc(F)cc2)c1C 64498648 FTUOXEPUWOENDJ-UHFFFAOYSA-N 347.346 1.926 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCC(NC(=O)OC(C)(C)C)CC1 69568599 PPASSDHTYKFBMB-CYBMUJFWSA-N 325.453 1.986 0 40 EDAB Cc1ccc(CNC(=O)CN[C@@H]2CCCN(c3cccnn3)C2)s1 69738567 GVDUINPYVUCQQR-CQSZACIVSA-N 345.472 1.721 0 40 EDAB CN1CC[C@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1=O 65473610 CTZYOCKJPYVMPX-LBPRGKRZSA-N 336.823 1.252 0 40 EDAB Cc1cc(C)nc(CCNCc2c(C)nn(C)c2N2CCOCC2)n1 65479715 IVYFXADSQATNHR-UHFFFAOYSA-N 344.463 1.304 0 40 EDAB O=C(CCc1nc(-c2ccccn2)no1)N[C@H]1CCc2nccn2C1 65463235 QZTFATGPYQIROS-LBPRGKRZSA-N 338.371 1.392 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 69770236 MMLYZXLHCCJYSI-UHFFFAOYSA-N 342.447 1.463 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCc1ccccc1 14070961 ANJJLBOJTARJGB-HOTGVXAUSA-N 326.396 1.687 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)c1OC 65539853 KRWKUYMVMHVZGB-JSGCOSHPSA-N 332.400 1.644 0 40 EDAB CN(CC(=O)OC[C@H]1CCCCO1)S(=O)(=O)c1ccccc1 65539269 DMFBJZZAZVJDLU-CYBMUJFWSA-N 327.402 1.419 0 40 EDAB COc1ncccc1C(=O)NCc1ccccc1N1CCN(C)CC1 65564503 PYYJHNFQAMFPCD-UHFFFAOYSA-N 340.427 1.772 0 40 EDAB NC(=O)C1CCN(c2ncccc2CNc2cncc(Cl)n2)CC1 69843297 CLMHSORJIMCIKU-UHFFFAOYSA-N 346.822 1.839 0 40 EDAB CN(C)[C@H](CNC(=O)CSc1cccc[n+]1[O-])c1ccccc1 6879465 OWAQUDKSJFMKOV-OAHLLOKOSA-N 331.441 1.831 0 40 EDAB COC(=O)c1cnc(SCC(=O)NC(=O)Nc2ccccc2)n1C 68572005 KPZDOOLZDQKTGF-UHFFFAOYSA-N 348.384 1.647 0 40 EDAB COc1c(C(=O)O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)nn1C 69979965 HAEOODZXOFSTHT-LLVKDONJSA-N 339.392 1.903 0 40 EDAB Cn1ccnc1C[C@H]1CCCN(CCn2nc3ccccn3c2=O)C1 90003520 WKAJFDXPTVITKH-OAHLLOKOSA-N 340.431 1.184 0 40 EDAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCN(CCO)CC1 75572188 KNYPJTHDWUXJFR-UHFFFAOYSA-N 325.412 1.807 0 40 EDAB COCCOc1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cc1 75610261 RNFZNIKGSQNGDJ-HNNXBMFYSA-N 330.388 1.781 0 40 EDAB COCCOc1ccccc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 76052176 LLKGGNGDYPBZMU-DOTOQJQBSA-N 348.443 1.505 0 40 EDAB Cc1noc(Cl)c1CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 76056845 OQZARRKZWKZGFD-GXFFZTMASA-N 327.812 1.358 0 40 EDAB C[C@H](c1ccco1)N(C)S(=O)(=O)c1cccc(-c2nnnn2C)c1 76062163 OGKDRDHJAANOST-LLVKDONJSA-N 347.400 1.852 0 40 EDAB C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCCS(C)(=O)=O)C1 76069874 AFKSZUGQCUVEOZ-SMDDNHRTSA-N 328.409 1.963 0 40 EDAB O=C1NCCN1[C@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 71830568 XWSDYTNQMBBDNF-NSHDSACASA-N 333.417 1.788 0 40 EDAB O=C1[C@@H]2CCCN2C(=O)N1C[C@H](O)CO[C@@H]1CCCc2ccccc21 71877703 IHJDIGQZWUNZII-BHYGNILZSA-N 344.411 1.868 0 40 EDAB COc1ccccc1-c1cc(C(=O)N2CCN(C[C@H](C)O)CC2)no1 71871232 QPPLJANKTRMPOL-ZDUSSCGKSA-N 345.399 1.489 0 40 EDAB CC1(C)NC(=O)N(CCCS(=O)(=O)c2ccc(F)cc2)C1=O 71828105 VKNMTKHGSUAKHK-UHFFFAOYSA-N 328.365 1.320 0 40 EDAB O=C1[C@@H]2CCCN2C(=O)N1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 71877701 IHJDIGQZWUNZII-HYVNUMGLSA-N 344.411 1.868 0 40 EDAB CCNC(=O)N1CCN(C(=O)c2sccc2Br)CC1 71888625 OQOPPXVPXXOEDT-UHFFFAOYSA-N 346.250 1.998 0 40 EDAB Cc1cc(C)c(C)c(OCCC(=O)N2CCCN(C(N)=O)CC2)c1 71884670 RZONEUCUAJYFDH-UHFFFAOYSA-N 333.432 1.994 0 40 EDAB O=C(Cn1cc(Nc2ncnc3ccsc23)cn1)N1CCOCC1 78331751 WFWVEWKLBPFZOG-UHFFFAOYSA-N 344.400 1.490 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1S(N)(=O)=O 72253552 YVAAITZTDZGJKF-AWEZNQCLSA-N 348.428 1.353 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)Cn3c(=O)[nH]c4ccccc43)C2)no1 72232294 JTEJERXXTSVYDQ-LBPRGKRZSA-N 341.371 1.427 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)C2)no1 72231838 VEXUKZAJTJYJMV-ZIAGYGMSSA-N 332.404 1.343 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1F 72268956 XCXSTEKNYUPUPU-CVEARBPZSA-N 336.407 1.434 0 40 EDAB Cc1noc2ncc(NC(=O)CCn3nc4ccccn4c3=O)cc12 72286819 ZPKUXIUCHDFERT-UHFFFAOYSA-N 338.327 1.369 0 40 EDAB O=C(c1cc(=O)c2ccccc2o1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269467 OGCYXUOLNSFZJF-LSDHHAIUSA-N 342.395 1.464 0 40 EDAB CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2nc3c(s2)CCC3)C1 97034002 WXUUWXGNECVWOH-LLVKDONJSA-N 329.491 1.534 0 40 EDAB O=C(NCCc1nnc2n1CCCCC2)Nc1nc2ccccn2n1 97079874 JNWJAWVVAFWYMJ-UHFFFAOYSA-N 340.391 1.411 0 40 EDAB O=C(Cc1ccccc1)NCCNC(=O)NC1CCN(C2CC2)CC1 97197316 YZGCGLVBJIJJCU-UHFFFAOYSA-N 344.459 1.271 0 40 EDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc2cccnc12 72300558 XGSQRAUGBMBSLH-CJNGLKHVSA-N 333.457 1.994 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 72300679 TVFCYJLEENMTPM-SEFYAATASA-N 333.392 1.318 0 40 EDAB COc1cccc(NC(=O)C[C@H](CN2CCCN(C)CC2)C(=O)O)c1 72401044 QCCZPZFCAGZSKC-CQSZACIVSA-N 349.431 1.362 0 40 EDAB CC[C@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@@H]1N1CCOCC1 84735971 KSDNLWNUOSUOEJ-GJZGRUSLSA-N 343.431 1.221 0 40 EDAB C[C@@H]1Cc2cc(S(=O)(=O)NC[C@H](N)c3ccccc3)ccc2O1 95432050 SNFRFUZZQPSKED-WBMJQRKESA-N 332.425 1.988 0 40 EDAB CCOC(=O)c1cn(Cc2ccnn2C)c2nc(C)ccc2c1=O 95983948 MCXRCZUSJIWAIU-UHFFFAOYSA-N 326.356 1.663 0 40 EDAB CN(C(=O)NC[C@@H]1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 89335146 BJJBEPJOZNHYIK-GJZGRUSLSA-N 336.457 1.935 0 40 EDAB CN1CCC[C@H](C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)C1 89375286 DZVCFPOPMOVCBK-IPMKNSEASA-N 343.471 1.440 0 40 EDAB COCCN1CCC(CNC(=O)c2ccc(NC3CC3)nc2)CC1 89414413 IYJBEEYGUSMHDB-UHFFFAOYSA-N 332.448 1.744 0 40 EDAB O=C(NCCc1nnc2n1CCC2)NCC1(c2cccc(F)c2)CC1 86402746 JIBLFZQQTPOVPG-UHFFFAOYSA-N 343.406 1.937 0 40 EDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc2ccccc2c1 547877262 OTFYYTKBQJTIDU-LRDDRELGSA-N 349.408 1.998 0 40 EDAB COC(=O)[C@H]1[C@H](c2cccc(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 4385897 NPXLGNAPIFIVDK-SUYBPPKGSA-N 332.356 1.352 0 40 EDAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc2c(c1)CCC2 548531304 ZFGPRXJOQDOMRL-XHDPSFHLSA-N 339.413 1.333 0 40 EDAB Cc1cnc(CCNC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)s1 188940776 AJWCRRQMWQOWCX-GFCCVEGCSA-N 340.493 1.481 0 40 EDAB COc1ccc([C@H](NC(=O)Nc2nccn(C)c2=O)C2CC2)cn1 529046389 SUZGMKKLSMGYQC-CYBMUJFWSA-N 329.360 1.457 0 40 EDAB O=c1c2cccnc2cnn1C[C@H](O)COCc1ccccc1F 77416660 IRYMPRGJMOKFLZ-ZDUSSCGKSA-N 329.331 1.508 0 40 EDAB CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 72595204 AZLAFXZZEHGGSF-ZDUSSCGKSA-N 340.445 1.540 0 40 EDAB Cn1ncc(Cl)c1C(=O)N1CCC(O)(c2cccnc2F)CC1 72340047 HLPSNHIHZCMORO-UHFFFAOYSA-N 338.770 1.731 0 40 EDAB O=C([C@@H]1CCCO1)N1[C@H]2CC[C@@H]1Cc1nc3ccccc3c(=O)n1C2 72327386 RZXYFVWVHXXPJW-WWGRRREGSA-N 339.395 1.491 0 40 EDAB COc1cccc([C@H]2[C@H](C(=O)Nc3nncs3)CC(=O)N2C)c1 72405853 IGXDKNLIFSNIHB-YPMHNXCESA-N 332.385 1.705 0 40 EDAB CC(=O)c1ccc(C)cc1OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 78442111 NJQSEMBFJPNITR-ZDUSSCGKSA-N 339.413 1.775 0 40 EDAB O=C(O)c1coc(NCc2cc(Cl)ccc2N2CCOCC2)n1 563203854 DXWABQMIOBTLGS-UHFFFAOYSA-N 337.763 2.475 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225690597 JOQRTGDUVSJXCN-UHFFFAOYSA-N 344.458 1.788 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CCCO2)c1 225929334 NNTZVAXLEMAGPH-AWEZNQCLSA-N 340.445 1.219 0 40 EDAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)[C@H]3CCCN3C2=O)c1 44891894 CHDHQBHHYGBQGP-UKRRQHHQSA-N 332.356 1.056 0 40 EDAB CCOC(=O)c1c(NC(C)=O)nn(CCOC)c1Br 225807366 CYFJBAYAPBYZIC-UHFFFAOYSA-N 334.170 1.427 0 40 EDAB C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1nc(N)nc(N(C)C)n1 195536410 HGUQTLPCZHYAIT-XJKCOSOUSA-N 342.447 1.870 0 40 EDAB COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)O)ccc2=O)c1 41670354 HGIJDXANYFPZOK-UHFFFAOYSA-N 332.312 1.202 0 40 EDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C(C)(C)C)cc1 224265563 JKYBNZBRYOVTKZ-UHFFFAOYSA-N 328.434 1.478 0 40 EDAB O=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@@H]1CC1(F)F 1592989119 YIVWCAIDPARJOT-NSHDSACASA-N 349.345 1.002 0 40 EDAB O[C@@H](CN1CCc2ccccc2C1)Cn1nnc(-c2cccs2)n1 193404487 WXEKNUBUULJXEH-HNNXBMFYSA-N 341.440 1.821 0 40 EDAB CCS(=O)(=O)NCCCN1CCN(c2ccncc2Cl)CC1 96487493 POZUQGWCYADITM-UHFFFAOYSA-N 346.884 1.186 0 40 EDAB CS(=O)(=O)N1CCCC[C@@]12CCCN(Cc1nccs1)C2 96047416 DGWVVISPROPCPC-AWEZNQCLSA-N 329.491 1.923 0 40 EDAB O=C(NCCC1CC1)[C@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96192201 INLOLZKPDCHVTQ-NSHDSACASA-N 344.337 1.715 0 40 EDAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1ccoc1)C2 96056951 GKVYSHUJPUYLLG-WMZOPIPTSA-N 336.432 1.756 0 40 EDAB c1cnc(N[C@@H]2COC3(CCN(CC4CCOCC4)CC3)C2)nc1 96221654 MRJGUOCKRAEDFS-INIZCTEOSA-N 332.448 1.939 0 40 EDAB O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1 96042952 IRPXNSNRFXFEGY-RYQLBKOJSA-N 348.443 1.802 0 40 EDAB CN(C(=O)COc1ccccc1S(=O)(=O)C(F)(F)F)C1CC1 96403477 WMKOOGPMQIUJNE-UHFFFAOYSA-N 337.319 1.980 0 40 EDAB Cc1cc(C(=O)NCC(=O)Nc2nc3c(s2)CCCC3)n(C)n1 96192411 GNMCQFLUIFZFON-UHFFFAOYSA-N 333.417 1.432 0 40 EDAB CC(C)(C)[C@H](O)C(Br)(Br)S(C)(=O)=O 96520853 JPVHXVHPKBCPCJ-YFKPBYRVSA-N 338.061 1.882 0 40 EDAB Cc1cnc(N2CCC[C@@]3(CO[C@@H](C(=O)NCC4CC4)C3)C2)nc1 96224846 VZUGATBUMITXQR-QAPCUYQASA-N 330.432 1.687 0 40 EDAB C[C@@H](O)[C@H]1CCCN(c2cc(N3CCC[C@@H]([C@@H](C)O)C3)ncn2)C1 97096805 JZKYHGKPTKFMAC-FPCVCCKLSA-N 334.464 1.671 0 40 EDAB COCCn1c2c(ccc1=O)C[C@H](NC(=O)c1cccn1C)CC2 96089179 QSNXKBIBBWCUAK-CQSZACIVSA-N 329.400 1.121 0 40 EDAB COC(=O)c1nnn2c1C(=O)N[C@H](CSCc1ccccc1)C2 91690014 JZVKAALCZDJJLK-NSHDSACASA-N 332.385 1.110 0 40 EDAB CN1C(=O)C[C@@H](CNCc2cccc3c2OCO3)[C@@H]1c1nccn1C 583616593 ONBAJQRNWMHYBY-XJKSGUPXSA-N 342.399 1.458 0 40 EDAB c1cn(C[C@H]2CO[C@]3(COCCN(CC4CCOCC4)C3)C2)cn1 96052085 BLYASCITYFFUQL-ZWKOTPCHSA-N 335.448 1.417 0 40 EDAB CCc1noc(CN(C)C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1 96420748 AGLLGSFMOIOGMA-HNNXBMFYSA-N 344.415 1.491 0 40 EDAB O=C(NCCc1ccc(Cl)cc1)c1cc(N2CCOCC2)ncn1 243355843 LXMLSUKUZMPULO-UHFFFAOYSA-N 346.818 1.939 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CN(C2CCOCC2)Cc2cncn21 247500021 PMURLGYYUGKKJZ-QGZVFWFLSA-N 341.415 1.130 0 40 EDAB Cc1cc(CC[C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)ncn1 257257543 KQBLJUKXQMRUSN-HNNXBMFYSA-N 348.428 1.202 0 40 EDAB COC(=O)[C@@H]1CCCCC[C@H]1N[C@H]1CCN(CC(F)(F)F)C1=O 253369345 BHEXELCDDFAYDV-UTUOFQBUSA-N 336.354 1.861 0 40 EDAB C[C@H](NC[C@@H]1CCC=CO1)C(=O)Nc1ccc(-n2cncn2)cc1 252483945 FLGOUERNMHIYHA-BBRMVZONSA-N 327.388 1.877 0 40 EDAB NC(=O)c1cccc(C[C@@H]2COCCN(Cc3cccs3)C2)n1 257221588 DPTDHZWMBYZRLX-ZDUSSCGKSA-N 331.441 1.933 0 40 EDAB C[C@H]1CN(c2ncccc2Br)CCN1S(C)(=O)=O 252501347 UESTZHSZFHHTQK-VIFPVBQESA-N 334.239 1.314 0 40 EDAB COCCOCCNCc1ccc(CN(C)C)c2c1OC(F)(F)O2 585136984 BJAOILSHEJHDQC-UHFFFAOYSA-N 346.374 1.822 0 40 EDAB Nc1nccnc1[C@H]1CN(Cc2ccc(OCC(=O)O)cc2)CCO1 257237624 HHISWVNUMACHGN-CQSZACIVSA-N 344.371 1.096 0 40 EDAB CN(C)c1cnc(C[C@H]2CCCN(C(=O)C3(N)CCCC3)CC2)cn1 257252587 JVHPWBKZLFAQDG-HNNXBMFYSA-N 345.491 1.985 0 40 EDAB NC(=O)c1cnc([C@H]2CCCCN2C(=O)Cc2cccnc2)s1 257314120 UVKIEWUGGZIGBG-GFCCVEGCSA-N 330.413 1.933 0 40 EDAB Cc1cnccc1C(=O)N1CCc2c(O)nc([C@H]3CCCN3)nc2C1 257314602 UXRDCFMYEOVXLM-CQSZACIVSA-N 339.399 1.509 0 40 EDAB CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1ccc(C(=O)O)s1 262832759 RFJOKHGYLPIFAY-UHFFFAOYSA-N 336.413 1.919 0 40 EDAB Cc1cnc(C)c(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 273921918 ZRPVSTXWKRSILI-UHFFFAOYSA-N 340.383 1.785 0 40 EDAB CC[C@H](Cc1ccc(NS(=O)(=O)c2ccnn2C)cc1)C(=O)O 361777626 WJZSKZQVVBJUIG-GFCCVEGCSA-N 337.401 1.874 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@H](C(=O)NC2CC(F)(F)C2)C1 575404459 MSSYHBYETDFUII-LBPRGKRZSA-N 326.347 1.480 0 40 EDAB CN1C[C@H](COc2cccnc2)CC12CN(C(=O)c1ccncc1)C2 585093895 NNNXTWDKNQIIOT-OAHLLOKOSA-N 338.411 1.702 0 40 EDAB Cc1nc(O)cc(C(=O)N2CC[C@@](O)(COc3ccc(F)cc3)C2)n1 585276535 MMQBZYCQVKURJN-KRWDZBQOSA-N 347.346 1.286 0 40 EDAB O=S1(=O)CC[C@@H](COc2ncccn2)C12CN(Cc1ccoc1)C2 585104027 VJEVRZOVSKQOFA-AWEZNQCLSA-N 349.412 1.138 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(Cc2ccncc2)C2CC2)n(C)c1 47631030 IRSKZIBHJCZQSJ-UHFFFAOYSA-N 348.428 1.133 0 40 EDAB O[C@@H](CN1CCCN(Cc2ccc(F)cc2)CC1)Cn1cccn1 51377743 KPPGBRKXUMMCAG-SFHVURJKSA-N 332.423 1.591 0 40 EDAB O=C(Nc1nccs1)[C@H]1CCCN(C(=O)NC[C@@H]2CCCO2)C1 56779762 WVNOCVMCYINORX-RYUDHWBXSA-N 338.433 1.682 0 40 EDAB CCNC(=O)N1CCN(C(=O)c2cnc(-c3ccccc3)nc2)CC1 68251479 DBOXIRCLJWLNLC-UHFFFAOYSA-N 339.399 1.631 0 40 EDAB COCCc1nsc(N[C@@H](C)CNC(=O)c2cc(C)sn2)n1 1097795244 ZCSZRXFMTOHUDO-QMMMGPOBSA-N 341.462 1.722 0 40 EDAB Cc1ccc(CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 67554126 NEOHSSFWJMGARR-AWEZNQCLSA-N 325.434 1.218 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(c3ncnc4c3cnn4C)CCO2)n1 69349744 WGECYBJDKUFGRQ-ZDUSSCGKSA-N 327.392 1.082 0 40 EDAB CCOC(=O)[C@@H](C)NC(=O)COCC(=O)Nc1cc(C)ccc1F 69488288 ZQIIBWZLPJBXHU-LLVKDONJSA-N 340.351 1.157 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN([C@@H](C)C(=O)Nc3ncccn3)C2)n1 69845959 HHAJCNCZHMQRFN-WFASDCNBSA-N 343.435 1.424 0 40 EDAB C[C@@H](NC(=O)Cn1ccc(-c2ccco2)n1)C(=O)N1CCCCC1 95417892 NTBGPAJNWHKRCM-CYBMUJFWSA-N 330.388 1.660 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cnc(-c2ccccc2)nc1 106581918 QNZPNKBMWHYJFC-DLBZAZTESA-N 338.411 1.737 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NCc2ccccc2-n2ccnc2)C1 98033593 KAHMYVHQPGDLEM-INIZCTEOSA-N 341.415 1.682 0 40 EDAB O=C(CNC(=O)C(F)(F)[C@@H](O)c1ccccc1)NC1CCCC1 1615587445 ZPNROFICVDOMQX-AWEZNQCLSA-N 326.343 1.530 0 40 EDAB O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)[C@@H]1CCCN1 11954623 QWMFHXYDTMFJFP-INIZCTEOSA-N 336.395 1.975 0 40 EDAB CC(C)(C)C(=O)N1CCC(c2nnsc2S(C)(=O)=O)CC1 12121386 FYWCAIKGYLVDRZ-UHFFFAOYSA-N 331.463 1.694 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCC[C@@H](C)C3)n2)o1 12182663 RJCJXUMAAODHQC-LLVKDONJSA-N 330.388 1.652 0 40 EDAB COCCC(=O)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 12327072 OINOKVWWUWONPP-UHFFFAOYSA-N 343.387 1.382 0 40 EDAB CCOC(=O)N1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 13061172 VFVDAZXPNQRIOY-UHFFFAOYSA-N 339.823 1.730 0 40 EDAB CCn1c(=O)n(CN2CCN(c3ccccn3)CC2)c2ccccc21 14109513 JVEUUAKTPVMZCW-UHFFFAOYSA-N 337.427 1.998 0 40 EDAB O=C(CCn1cccn1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19406103 LYOQCEKFMCTCLU-CQSZACIVSA-N 340.431 1.115 0 40 EDAB COc1ccc(CCC(=O)N2CC[C@H](n3ccnn3)C2)c(OC)c1 206928443 YGVQHSVFCWWKHJ-AWEZNQCLSA-N 330.388 1.702 0 40 EDAB CO[C@@H]1COC[C@@H](CNCc2ccccc2Br)[C@@H]1O 643585398 GJXHIEXBZDHIRK-BNOWGMLFSA-N 330.222 1.561 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(c2cnc3ccccc3n2)CC1 1888906868 WRFVABDOXBHXQQ-CQSZACIVSA-N 327.432 1.665 0 40 EDAB CS(=O)(=O)c1cccc2sc(N3CCC(C(N)=O)CC3)nc12 1888909659 YHMZYUKXSQRZFQ-UHFFFAOYSA-N 339.442 1.402 0 40 EDAB COC(=O)C(C)(C)NS(=O)(=O)c1ccc(Br)s1 26824966 WFKXJXNPYKGACV-UHFFFAOYSA-N 342.236 1.741 0 40 EDAB COc1ccc(CNC(=O)NCC2(N3CCOCC3)CCC2)cc1 1776008648 LUSTVSULCMDXHL-UHFFFAOYSA-N 333.432 1.749 0 40 EDAB CC[C@H](C(=O)NCc1nnc2ccc(OC)nn12)c1ccccc1 240178577 ZATHOYCIMGAAJI-ZDUSSCGKSA-N 325.372 1.943 0 40 EDAB O=S(=O)(CCOc1ccccc1)N1CCn2nc3c(c2C1)CCC3 253472458 MNRYTLXQPKWFOD-UHFFFAOYSA-N 347.440 1.596 0 40 EDAB CCN=c1nc(N2CCN(CC3(O)CCCCC3)CC2)cc(C)[nH]1 2087130940 BMGVSRWEODSUDF-UHFFFAOYSA-N 333.480 1.456 0 40 EDAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2nncn2C)cc1 1567183151 XNBZYLQOQQGGBO-CQSZACIVSA-N 325.372 1.917 0 40 EDAB CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 4505291 MJXLXXTTWUGVBJ-ZDUSSCGKSA-N 331.459 1.520 0 40 EDAB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3ccccc3F)cnc21 10250795 QZSMGNPEOUYBOC-UHFFFAOYSA-N 329.335 1.871 0 40 EDAB CC(=O)Nc1ccc(SCC(=O)NCc2ccc(F)cc2)nn1 11738665 MIGOJWVTNFSBFE-UHFFFAOYSA-N 334.376 1.983 0 40 EDAB O=C(N[C@@H]1CCC12CCN(C(=O)[C@@H]1CCOC1)CC2)c1cnccn1 2055803586 MRUCVWJVKMDTLY-UKRRQHHQSA-N 344.415 1.014 0 40 EDAB CN1CCC(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1 22999030 VTUHJIIQRSGTGI-UHFFFAOYSA-N 327.787 1.876 0 40 EDAB CC(C)OC[C@H]1C[C@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 35325979 RINBPLHLCMFXFO-NKZPBKNFSA-N 340.401 1.614 0 40 EDAB CCOc1ccc(C(=O)NCCn2cnc3ccsc3c2=O)cn1 225775737 ZSUBWGVXORNYCW-UHFFFAOYSA-N 344.396 1.682 0 40 EDAB O=C(NCC1(CO)CC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 49524516 YXABSJDOSRENRX-UHFFFAOYSA-N 345.399 1.031 0 40 EDAB Cc1nn(CCC(N)=O)c(C)c1S(=O)(=O)N1CCc2ccccc21 40485553 NAUQJFPKBDWKTA-UHFFFAOYSA-N 348.428 1.127 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)Cn1cc(C(F)(F)F)ccc1=O 31397340 OOMBYUHJWCGMFV-JTQLQIEISA-N 328.294 1.269 0 40 EDAB CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)o1 40510989 XXQZZMIOVYZGBE-UHFFFAOYSA-N 348.424 1.989 0 40 EDAB C[C@@H](NC(N)=O)C(=O)NCc1ccnc(OCc2ccccc2)c1 40529326 DVMPDOGGFLEXQU-GFCCVEGCSA-N 328.372 1.334 0 40 EDAB CC(C)N1CNc2c(c(=O)[nH]c(=O)n2Cc2ccccc2Cl)C1 20546937 ZCAFEFPJKIGEMT-UHFFFAOYSA-N 334.807 1.832 0 40 EDAB CC[C@H]1CN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)CCO1 29153943 YISDAVWPLMOMMF-IJDCCNJMSA-N 326.400 1.977 0 40 EDAB C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c1ccccc1 4321028 BQCGPMZEBOHHTF-WCQYABFASA-N 335.404 1.633 0 40 EDAB Cc1cccc2nc(CNC(=O)N3CC[C@H](N4CC=CC4)C3)cn12 101387961 YEPFOSGDDSGFCO-INIZCTEOSA-N 325.416 1.798 0 40 EDAB CC(=O)N1CCN(C(=O)c2cc3cnn(C(C)C)c3nc2C)CC1 45860967 UUJIANAQHKDMQN-UHFFFAOYSA-N 329.404 1.625 0 40 EDAB CSc1cccc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2N)c1 4985102 KXTSTISQZLRSOW-NSHDSACASA-N 333.417 1.480 0 40 EDAB C[C@H](NC(=O)Cn1cccnc1=O)c1ccc2c(c1)OCCCO2 32284008 UFWRYUIYSRCAJJ-LBPRGKRZSA-N 329.356 1.282 0 40 EDAB COC(=O)C[C@H]1CN=C(Nc2nc(C)c3cc(C)ccc3n2)NC1=O 21005818 GLGDKAOSMILGCS-NSHDSACASA-N 341.371 1.324 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCc2ccnc(Oc3ccccc3)c2)C1 45996951 RJELEJRRRMYHTL-AWEZNQCLSA-N 340.383 1.891 0 40 EDAB CNS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(F)c2)cc1 32755056 YWMGONHHHYZCAR-UHFFFAOYSA-N 345.373 1.502 0 40 EDAB CCn1nc(C)c2ncnc(NCc3ccc(S(N)(=O)=O)cc3)c21 57312431 WLZPPVVCCBGPPY-UHFFFAOYSA-N 346.416 1.414 0 40 EDAB Cc1nc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)n(C2CC2)c1C 32894129 VLCPGMXYWODWRT-NSHDSACASA-N 343.474 1.230 0 40 EDAB COC[C@@H](O)CN(C)CCC(=O)Nc1cc(Cl)ccc1OC 83859393 NLGOMEIPCAUKMV-LBPRGKRZSA-N 330.812 1.616 0 40 EDAB COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)NC1CC1 9645867 PHGIFLALXFBHBQ-UHFFFAOYSA-N 340.445 1.912 0 40 EDAB NC(=O)c1cnc(N2CCC[C@@H]2C(=O)NCc2ccco2)c(Cl)c1 71904094 PEANVCMQSJYIFX-CYBMUJFWSA-N 348.790 1.712 0 40 EDAB CC(C)Cc1cc(C(=O)N2CCCN(c3ncccn3)CC2)[nH]n1 71900160 ZRLQYIDILHUHLV-UHFFFAOYSA-N 328.420 1.751 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2scnc2C)cc1 46574556 YOBMOQCZRYPIGM-UHFFFAOYSA-N 339.442 1.468 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)Cc3ccsc3)CC2)C1 108534196 LXTCPMPTTQFYOX-UHFFFAOYSA-N 342.486 1.611 0 40 EDAB CN[C@H]1CCCN(S(=O)(=O)c2ccccc2Br)C1 53202849 MKCXTIADMHXYEI-JTQLQIEISA-N 333.251 1.822 0 40 EDAB CCN(CC)[C@H](C(=O)NCCCn1nc2ccccn2c1=O)C(C)C 69776571 RWIYOMLQVJFMKS-INIZCTEOSA-N 347.463 1.369 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccnc(-n2cncn2)c1 53761331 CSJNAOFPLVUTGL-UHFFFAOYSA-N 337.339 1.663 0 40 EDAB CC(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 22894518 PIPDQMVBKACJSH-NSHDSACASA-N 330.388 1.689 0 40 EDAB O=S(=O)(c1ccc(N2CCC(CO)CC2)nc1)N1CCCC1 71954743 NQWCQWKPOXQZPU-UHFFFAOYSA-N 325.434 1.075 0 40 EDAB O=C1CN(C(=O)CN(Cc2ccccc2)Cc2ccco2)CCN1 24227201 UQVWNIMHQDGEHW-UHFFFAOYSA-N 327.384 1.240 0 40 EDAB C[C@@H](NC(=O)NC[C@H](c1ccco1)N(C)C)c1nnc2ccccn12 43137574 NIHHIGCENQWUGW-CHWSQXEVSA-N 342.403 1.985 0 40 EDAB CN(C)[C@H](CNC(=O)COc1cccc(C(N)=O)c1)c1cccs1 55111879 IFNDKWUWSIPAEI-CQSZACIVSA-N 347.440 1.645 0 40 EDAB O=C(CNC(=O)Nc1cccc2c1OCCO2)NCC(F)(F)F 56719845 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CCOC(=O)[C@H](NCC(=O)NC(N)=O)c1cccc2ccccc12 58217894 NIFHSTCEQOYPDT-OAHLLOKOSA-N 329.356 1.229 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)NCC(F)(F)F)CC1 27781585 FCTPZCRHMCQDEM-CYBMUJFWSA-N 343.349 1.604 0 40 EDAB COc1ccc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)cn1 44971827 CNHBPYGYEIAINE-ZDUSSCGKSA-N 328.376 1.671 0 40 EDAB CNC(=O)C1CCN(C(=O)c2cc3cc(OC)cc(OC)c3[nH]2)CC1 44913285 IDTPYRQVJGKAGU-UHFFFAOYSA-N 345.399 1.783 0 40 EDAB CCOC(=O)N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccco2)C1=O 2211291 ZGPQXJOLWKWROW-NSHDSACASA-N 335.238 1.541 0 40 EDAB NS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(F)cc3)cc21 58551295 WFBWVESAQAOBHH-UHFFFAOYSA-N 335.360 1.644 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](c2nc3ccccc3o2)C1 36393306 LUHGAAMXAWCAGW-NEPJUHHUSA-N 330.388 1.851 0 40 EDAB CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)OC)N1C(=O)c2ccccc2C1=O 12790331 VKNPVPBGTHEUGZ-MJVIPROJSA-N 346.383 1.375 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N[C@H](C)c1cccc2ccccc12 48231693 ADBJWUXTUZHYJS-GFCCVEGCSA-N 327.384 1.269 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNC(=O)c2cccnc2N2CCOCC2)C1 48221337 PEGKRNBJBHAZGG-IYBDPMFKSA-N 346.475 1.626 0 40 EDAB CN1CCN(c2ccc(CNC(=O)NCc3ccoc3)cn2)CC1 48300673 DCQXHPZUXVRMSI-UHFFFAOYSA-N 329.404 1.426 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCC(N)=O)cc2)c1 12882861 OMUOIJJGYIRGGI-UHFFFAOYSA-N 348.380 1.207 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)O)cc1 3454497 JPMUQLIUTOEKPF-GFCCVEGCSA-N 333.431 1.570 0 40 EDAB NC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2C2OCCO2)cc1 69294151 GRKWGWGODOCEBJ-AWEZNQCLSA-N 333.388 1.223 0 40 EDAB CN(CC(=O)NCc1ccccn1)[C@H]1CCCN(c2cccnn2)C1 70021155 PDSNENCUUWXSDM-INIZCTEOSA-N 340.431 1.089 0 40 EDAB COCCN1CCN(CC(=O)N[C@@H](C)c2ccccc2OC)C[C@@H]1C 70006324 UIOHBJSUWBEZBM-HOTGVXAUSA-N 349.475 1.525 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)[C@H](Cc1ccccc1)n1cnnn1 48431398 YNPMLDDVUNOYGL-CVEARBPZSA-N 329.404 1.342 0 40 EDAB CCN(CC)S(=O)(=O)N(C)C1CCN(c2ccccn2)CC1 69326152 MDYODCBZCPRESE-UHFFFAOYSA-N 326.466 1.569 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)CCc2ccncc2)CC1 69892452 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CC(=O)Nc1ccc2c(COC(=O)[C@@H]3CCCO3)cc(=O)oc2c1 49824331 XXWVSFAKGWSDBW-AWEZNQCLSA-N 331.324 1.974 0 40 EDAB O=C1OCC[C@H]1Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 5129785 VSBSRVUGFQEBAI-SMDDNHRTSA-N 346.408 1.983 0 40 EDAB Cc1cc(NC(=O)CN(C)Cc2nc3ccccc3n(C)c2=O)no1 65474538 PIQVFJDHOUUSIF-UHFFFAOYSA-N 341.371 1.300 0 40 EDAB Cc1ccc(NC(=O)CN2CCC[C@H]2C(=O)N2CCSCC2)cc1 65534365 SSNOIDBEYAVGJX-INIZCTEOSA-N 347.484 1.973 0 40 EDAB COC(=O)c1ncn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)n1 65553292 NPOUILABJFJDCD-UHFFFAOYSA-N 342.399 1.926 0 40 EDAB Cc1nnc2n1C[C@H](Nc1ccc3nnc(C(F)(F)F)n3n1)CC2 65540450 XKYVAORFLPPIDZ-MRVPVSSYSA-N 338.297 1.470 0 40 EDAB CNc1nc(Oc2ccc(C(=O)OCC(N)=O)cc2)nc(SC)n1 4507365 QXNSEQHJNASIBP-UHFFFAOYSA-N 349.372 1.070 0 40 EDAB CCOCCO[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 65613019 KDAVVLLDIUNHML-WMLDXEAASA-N 348.443 1.434 0 40 EDAB CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 14241190 PMNFPZMURVGTQY-KBXCAEBGSA-N 332.400 1.709 0 40 EDAB COCCNC(=O)NC(=O)CSc1nc2ccc(OC)cc2[nH]1 8719122 WFJBNWHSPSHXSI-UHFFFAOYSA-N 338.389 1.136 0 40 EDAB Cc1noc(CNC(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)n1 66191442 AWUJHUSRZBDVOB-UHFFFAOYSA-N 346.387 1.926 0 40 EDAB CC[C@H](CNC(=O)c1n[nH]c(=O)[nH]1)Oc1cccc(C(F)(F)F)c1 80038319 JBSBPMLEWFKBRN-SECBINFHSA-N 344.293 1.704 0 40 EDAB Cc1cn(CCNc2nc(-c3ccccc3)nc3c2CCNC3)nn1 67982622 AFIGEUNJLQQFFK-UHFFFAOYSA-N 335.415 1.801 0 40 EDAB CCOc1ccc(C2(CNC(=O)[C@H]3CCC(=O)N3)CCOCC2)cc1 68212826 OCKWLNQXMLACRS-MRXNPFEDSA-N 346.427 1.528 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 16117502 BZSKZXHSSHCXQF-UHFFFAOYSA-N 326.805 1.800 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccccc2Cl)C1 71799987 XZPOJJNZFKKYST-BXUZGUMPSA-N 343.832 1.675 0 40 EDAB Cc1ncncc1C(=O)N1CCCN(Cc2nccn2C(C)C)CC1 71863942 WMHCZHWMJNHITL-UHFFFAOYSA-N 342.447 1.911 0 40 EDAB C[C@@H](NC(N)=O)C(=O)NCc1cccnc1OCc1ccccc1 71821546 XMVLTZAKJPXYIB-GFCCVEGCSA-N 328.372 1.334 0 40 EDAB Cc1cccc(CC(=O)NCCS(=O)(=O)N2CCSCC2)c1 71884360 GHZRIENXDIWJRT-UHFFFAOYSA-N 342.486 1.032 0 40 EDAB COc1cc(C)cc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1O 71882442 AXRMALXMBIOARS-AWEZNQCLSA-N 328.368 1.536 0 40 EDAB Cn1nnc2cc(C(=O)N3CCC(Nc4cccnn4)CC3)ccc21 71863497 UIOLITZQPCIPID-UHFFFAOYSA-N 337.387 1.475 0 40 EDAB CS(=O)(=O)CCC(=O)Nc1cnn(-c2ccccc2Cl)c1 71882872 LIPJYXVQZHYVTD-UHFFFAOYSA-N 327.793 1.899 0 40 EDAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)N[C@@H]1CCCCNC1=O 89787867 OPSLBJIBNKUVEX-OAHLLOKOSA-N 327.388 1.545 0 40 EDAB C[C@H](NCC(=O)NC[C@@H]1COc2ccccc2O1)[C@H](C)n1cccn1 84139628 VCIJHKJLUTYXHD-SOUVJXGZSA-N 344.415 1.378 0 40 EDAB O=C(Nc1ccc(I)cn1)[C@H]1COCCO1 72295126 XTRBRRTUARWPQA-MRVPVSSYSA-N 334.113 1.040 0 40 EDAB O=S(=O)(NCCCn1ccnc1)c1cc(Cl)cc2c1OCC2 97086200 JKYUIPBDYCRMAP-UHFFFAOYSA-N 341.820 1.840 0 40 EDAB COc1ccc([C@H](NC(=O)CN2CCN(C)C[C@H]2C)C2CC2)cc1 89938962 JJJKFFYMEIDXLB-AUUYWEPGSA-N 331.460 1.898 0 40 EDAB O=C1C[C@@H](NC(=O)Nc2cccc(I)c2)CN1 97117706 VGMGHGUOTZJRPC-SECBINFHSA-N 345.140 1.301 0 40 EDAB CNC(=O)[C@H]1CCCCN1C[C@H](O)COc1cc(C)ccc1Cl 97109319 AYLPBTQFOSNCNS-DZGCQCFKSA-N 340.851 1.989 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCc2nccn2C1 97197915 OLSCRGALGLCSOF-ZDUSSCGKSA-N 337.383 1.822 0 40 EDAB COC(=O)c1ccc2c(=O)[nH]c(CN3C[C@@H](C)O[C@H](C)C3)nc2c1 21916203 OPHAYVJYZBKFHQ-GHMZBOCLSA-N 331.372 1.319 0 40 EDAB CCc1cnc(CN(C)[C@H]2CCN(C[C@H](O)Cn3cccn3)C2)o1 76047795 HBGBKUDDGLRFCX-GJZGRUSLSA-N 333.436 1.001 0 40 EDAB O=C(c1ccoc1)N1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 84618083 JIGFVCLAMFIDMC-UHFFFAOYSA-N 341.367 1.055 0 40 EDAB CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1ccc(CO)o1 84736343 OIJKXSFRDUSRQJ-BBRMVZONSA-N 344.477 1.700 0 40 EDAB CCN1CCN(CCC(=O)Nc2ccn(-c3ccccc3)n2)CC1 78394332 XCOXPDKMSDVYJR-UHFFFAOYSA-N 327.432 1.838 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN([C@@H](C)c3nc(C4CC4)no3)C2)no1 95402259 PQJCCINXCLIKQK-GWCFXTLKSA-N 332.408 1.906 0 40 EDAB CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(=O)n(C)n2)C12CCCCC2 78874902 RFLUSDPDABIBBG-LSDHHAIUSA-N 333.432 1.980 0 40 EDAB O=C(O)c1ccc(OCCNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)cc1 95991836 ALRSPVBZLGFWHA-CQSZACIVSA-N 346.383 1.138 0 40 EDAB Cn1ncc2c(=O)[nH]c(NCc3nc(-c4ccc(F)cc4)n[nH]3)nc21 75049871 DQMQVVVGKDTMIZ-UHFFFAOYSA-N 340.322 1.193 0 40 EDAB COC(=O)[C@@H](C)c1c(C)nn(Cc2nnnn2-c2ccccc2)c1C 89520868 RFXYYMDIBPUVJV-NSHDSACASA-N 340.387 1.800 0 40 EDAB CN1CC[C@H](CN(C)C(=O)NC2CCN(c3ccccn3)CC2)C1 75128134 JGKFJNSXQOSOKS-HNNXBMFYSA-N 331.464 1.644 0 40 EDAB O=C(NC[C@H]1CC[C@@]2(COCCN(CC3CC3)C2)O1)c1ccno1 306132568 LMNIQHYJJBGXEL-RHSMWYFYSA-N 335.404 1.064 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)N2CCN(CC(F)F)CC2)c1 61748407 ZYMPVBIMCAEEJW-UHFFFAOYSA-N 347.387 1.505 0 40 EDAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)O 547554995 WMBLRLDYORPAIG-CMPLNLGQSA-N 347.820 1.807 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2CCn3ccnc3C2)n[nH]1 547982844 CDSBEFNNHYQSOW-GFCCVEGCSA-N 339.403 1.368 0 40 EDAB O=C1c2ccccc2C(=O)N1CCCc1noc([C@H]2CCCN2)n1 218378426 DJSCGSYDSRQPNZ-CYBMUJFWSA-N 326.356 1.723 0 40 EDAB CCc1noc([C@@H](C)N2CCN(C(=O)N[C@@H]3CCO[C@@H]3C)CC2)n1 129399047 PHBCNNKGQWYNKL-JHJVBQTASA-N 337.424 1.198 0 40 EDAB Cc1ccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)o1 72241800 NQNKCGSYXZHYFI-IRXDYDNUSA-N 346.358 1.942 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCC2)cc1 33018898 ZCWVKLJHONRGEP-GFCCVEGCSA-N 326.418 1.375 0 40 EDAB O=C(c1ccsc1)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 75156545 OBPOSFOANSTTFM-UHFFFAOYSA-N 328.353 1.726 0 40 EDAB C[C@H]1[C@@H](C)N(C(=O)NCc2ccc3c(c2)CCC3)CCS1(=O)=O 77345069 LLGKNVXFLHNZRK-OLZOCXBDSA-N 336.457 1.892 0 40 EDAB C[C@@H](c1cccnc1)N1CCN(C(=O)NCc2cnn(C)c2)CC1 79355139 LRROTAKOCLYYHF-AWEZNQCLSA-N 328.420 1.404 0 40 EDAB Cc1nnc(-c2cccc(C(=O)N[C@@H](C)CCN3CCOCC3)c2)o1 73619995 RDEOIJSGRHMOTG-ZDUSSCGKSA-N 344.415 1.886 0 40 EDAB CC(C)n1c(CNC(=O)c2ccc3nnnn3c2)nc2ccccc21 79482335 JIOYLKUITXBDPE-UHFFFAOYSA-N 335.371 1.985 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccccn2)cc1C 226746494 NLQQXPDAWSHPET-UHFFFAOYSA-N 336.369 1.743 0 40 EDAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)NCCN1CCOCC1 225725562 XGFCWEWPEUXAIB-UHFFFAOYSA-N 349.818 1.103 0 40 EDAB C[C@@](O)(CNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccsc1 80891636 NICRCXYYYMEPDR-GFCCVEGCSA-N 333.335 1.987 0 40 EDAB COc1ccnc(N2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)n1 85436252 ZGZUTQNKQRHUDC-CQSZACIVSA-N 331.420 1.744 0 40 EDAB biogenic,in-vitro Cc1cc(F)cc(Br)c1OC[C@@H](O)CN1CCOCC1 193116151 VESBKNBRFUFFDG-LBPRGKRZSA-N 348.212 1.969 0 40 EDAB Cc1ccc(CCN2Cc3nc(N4CCOCC4)ncc3C2=O)cc1 46088754 QHJWOQREJNHDIW-UHFFFAOYSA-N 338.411 1.820 0 40 EDAB CNC(=O)c1cc(N)ccc1N1CCN(c2ccccc2OC)CC1 225489583 SMXVSXMYFYRYEW-UHFFFAOYSA-N 340.427 1.964 0 40 EDAB O=C(c1cccnc1)N1CCCn2nnc(COCC3CC3)c2C1 96058851 RBGXXDJHQMNVNJ-UHFFFAOYSA-N 327.388 1.646 0 40 EDAB COc1ccc(NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 96404155 KDKGECNTHYBWMS-GFCCVEGCSA-N 346.362 1.695 0 40 EDAB Cc1ccc(N2CCO[C@@H]3CN(C(=O)c4ccco4)CC[C@@H]3C2)nn1 96249797 QCRVHQGEOSCHDM-GDBMZVCRSA-N 342.399 1.746 0 40 EDAB COCCN1CC[C@]2(CN(C(=O)c3cc(C)oc3C)C[C@H]2C)C1=O 96070297 ZSCDDLFWPQEJJF-KZULUSFZSA-N 334.416 1.853 0 40 EDAB CNC(=O)N1CCc2cc(C(=O)NC(C)C)c(N(C)C)nc2CC1 96260358 CZJCEUDMWICHKJ-UHFFFAOYSA-N 333.436 1.026 0 40 EDAB Cc1ncoc1C(=O)N1CCOC[C@@H]1c1nccc(N2CCCC2)n1 96220614 DGNOVNNQRAIOEK-CYBMUJFWSA-N 343.387 1.587 0 40 EDAB O=C1NC[C@H](COc2ccccn2)[C@]12CCN(Cc1ccccn1)C2 96217341 QUQNGFGURYZWMR-DNVCBOLYSA-N 338.411 1.494 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn1C)C2 96039542 PPYXZJWCFPOWDQ-MJGOQNOKSA-N 349.475 1.615 0 40 EDAB CC(=O)c1cn(Cc2nc(-c3cccs3)oc2C)c(=O)n(C)c1=O 96466336 IRGDWEJSPCVZBH-UHFFFAOYSA-N 345.380 1.823 0 40 EDAB Cc1ccc([C@H]2[C@@H](C(=O)NCc3cccnc3)OCC(=O)N2C)cc1 96181520 NTIVVFGLFXNWHM-ROUUACIJSA-N 339.395 1.605 0 40 EDAB O=C([C@H]1CCOC1)N1CCN(Cc2cccnc2)c2ncccc2C1 96198953 MAJGECNGKDVYJD-KRWDZBQOSA-N 338.411 1.862 0 40 EDAB CCOc1ncccc1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 97198876 YJSDIDGATKRGLO-LBPRGKRZSA-N 329.404 1.940 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 96055524 LSTTYXZMVPDAAM-BHYGNILZSA-N 346.427 1.893 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)c1ccco1)C2 96238088 MAWSEMFEKVHLAD-KRWDZBQOSA-N 345.424 1.904 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccoc1)C2 96237713 HYAIAZCHXBMXRT-LJQANCHMSA-N 339.395 1.843 0 40 EDAB O=C1CC[C@@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CN1 96502315 CFERUBODZZPEFD-SECBINFHSA-N 340.214 1.942 0 40 EDAB O=C(NC[C@H]1Cn2nnc(-c3ccsc3)c2CO1)[C@H]1CCOC1 96199193 JDXDKJPVTPEXFT-JQWIXIFHSA-N 334.401 1.058 0 40 EDAB Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)N[C@H]1CCN(C)C1=O 583614709 JIPBSFFYQDUOBO-RYUDHWBXSA-N 336.461 1.744 0 40 EDAB COc1ncccc1CN1C[C@H](OC)C[C@H]1c1nnc2cnccn12 583615084 DHXBJZAGWVPGNZ-KGLIPLIRSA-N 340.387 1.490 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@]1(COC)C(=O)O 242548700 LTQODGRBUJRCGA-SCRDCRAPSA-N 332.805 1.958 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 247888761 XVGDIUYAYGRUMN-OAHLLOKOSA-N 340.383 1.462 0 40 EDAB O=C(CNC(=O)c1ccc(Cl)o1)Nc1ccc(-n2cncn2)cc1 68004520 CGOYBDOPERAQEJ-UHFFFAOYSA-N 345.746 1.882 0 40 EDAB CO[C@H]1COCC[C@@H]1N1CCN(C(=O)/C=C/c2cncc(C)c2)CC1 585088215 PIKMCOHDCOTPHV-ZFRRBFPSSA-N 345.443 1.351 0 40 EDAB CN1CCN(C[C@@]2(O)CCN(C(=O)C3CCC(F)(F)CC3)C2)CC1 257303768 SIQCBNVKAJQIGN-INIZCTEOSA-N 345.434 1.023 0 40 EDAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2cnccn2)ccn1 257268371 MLKIUVOTUDVJQI-INIZCTEOSA-N 325.372 1.485 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)CCc2ccc(F)cc2)CCN1C(C)C 257291644 QHYHWRKEOYTDGP-MRXNPFEDSA-N 335.423 1.426 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(Cc2nccs2)C1 257204226 ATPXPUOFBSZIDG-NSHDSACASA-N 340.474 1.724 0 40 EDAB O=C(NCC1(c2ccccc2)CC1)c1cc(N2CCOCC2)ncn1 585131942 KHEIPYXANYPZEI-UHFFFAOYSA-N 338.411 1.775 0 40 EDAB Cc1cc(CNC(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)no1 585121209 IMROBQORKORFMP-WCQYABFASA-N 341.408 1.463 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1cccc(OC)c1 257331350 XSMFRGHAOOAEKQ-GOSISDBHSA-N 340.383 1.363 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccnc(Cc2ccc(F)cc2)c1 257282781 OVGXTDZOAIBZQO-HNNXBMFYSA-N 348.399 1.728 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3cn4c(C)cccc4n3)CCO2)n1 257309684 UBXKTMIKHIAFFT-HNNXBMFYSA-N 339.399 1.898 0 40 EDAB CO[C@@H](Nn1c(SC)nnc(C2CCCCC2)c1=O)C(=O)O 255186932 ACSKBUHBQFRMTI-SNVBAGLBSA-N 328.394 1.009 0 40 EDAB O=C(c1cscn1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257282882 OVQUPDGZHBOWRU-CYBMUJFWSA-N 331.388 1.451 0 40 EDAB Cc1cc(-c2cccc(CC3CCN(S(C)(=O)=O)CC3)n2)[nH]n1 257271766 MZSGXTXTHNNSNR-UHFFFAOYSA-N 334.445 1.994 0 40 EDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2cc3ccccc3nc2O)[C@H]1O 257324063 WMZAHMCXQXVHDI-BZUAXINKSA-N 330.384 1.941 0 40 EDAB Cc1cc(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)n[nH]1 390829730 GECAYTFLFMZZRN-UHFFFAOYSA-N 338.371 1.300 0 40 EDAB CC(=O)N1CCc2ccc(NS(=O)(=O)c3cnn(C)c3)cc2C1 96120184 PJIXQHSOTSVJMV-UHFFFAOYSA-N 334.401 1.126 0 40 EDAB CCn1cc(-c2noc(CNC(=O)Cc3ccc(OC)cc3)n2)cn1 390829650 FSABIFURUKNOGA-UHFFFAOYSA-N 341.371 1.821 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@H](Oc3cncc(C)n3)CCO2)C1 575406192 XVZQZCKHTSSLQS-CYBMUJFWSA-N 341.433 1.137 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1C 575420812 DXIZRQXFPTVXSR-AWEZNQCLSA-N 331.459 1.467 0 40 EDAB CN(C)c1nc(CNC(=O)Cc2ccccc2Cl)nc(N(C)C)n1 575604218 UVEUZVMKJWCAJG-UHFFFAOYSA-N 348.838 1.516 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1CO[C@@H]2CN(C(=O)c3ccccc3)C[C@H]21 585108619 YKOODFZQCBIPTJ-RRFJBIMHSA-N 338.367 1.202 0 40 EDAB O=C(NCCN1CCOCC1)NCc1ccccc1-n1cccn1 67005230 WKRPGACWRQJDAL-UHFFFAOYSA-N 329.404 1.004 0 40 EDAB O=C(NCc1cccs1)[C@H]1COCC(=O)N1Cc1ccccc1 70641361 FSVQXPLLOQLUIN-OAHLLOKOSA-N 330.409 1.792 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)Cc1cn3ccsc3n1)C2 71871671 QYFPJKIIWXHVIS-UHFFFAOYSA-N 342.428 1.379 0 40 EDAB O=C([C@@H]1CCCN(c2nccs2)C1)N1CCC[C@@H](n2cncn2)C1 106907599 CUEVPAWEIDAESO-ZIAGYGMSSA-N 346.460 1.815 0 40 EDAB Cc1cc(C(=O)N[C@]2(CC(=O)O)CCCOC2)ccc1-n1cccn1 1607578338 CYOKBFWJSNKNTF-SFHVURJKSA-N 343.383 1.934 0 40 EDAB CCn1cc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2N2CCCC2)cn1 1615002018 VTJLARHRDFRKTL-GOEBONIOSA-N 340.493 1.836 0 40 EDAB CCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)cn1 1615576756 FSODGIKXFWXHHP-CHWSQXEVSA-N 326.418 1.566 0 40 EDAB C[C@H]([C@H]1CCCCN1Cc1nccn1C)N1CCCS1(=O)=O 1615615493 XUQXURDQCUGTHZ-ZIAGYGMSSA-N 326.466 1.199 0 40 EDAB COc1ccccc1NC(=O)Cn1nc(-c2ccco2)cc(N)c1=O 12146626 XVGVUUJVFHSZFN-UHFFFAOYSA-N 340.339 1.733 0 40 EDAB CN(CCCc1ccccc1)C(=O)[C@@H]1CN(c2ncccn2)CCO1 19747324 SLEGVEJHFUFHKD-KRWDZBQOSA-N 340.427 1.773 0 40 EDAB COC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H]1c1ccccc1F 12143305 NRZHGJVYETWWPZ-BNOWGMLFSA-N 348.374 1.019 0 40 EDAB Nc1nc2c(c(=O)n1CC(=O)NCCc1ccccc1)CCCC2 13267112 IZNITLIGPHFEMI-UHFFFAOYSA-N 326.400 1.063 0 40 EDAB COCCC(=O)N1C[C@@H](c2ccccc2F)[C@@]2(CCCC(=O)N2)C1 19593216 ZRKBJEQMMBQQMT-KBXCAEBGSA-N 334.391 1.827 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C)C2)cc1 11502173 AHGOJUWBIZVNLF-QWHCGFSZSA-N 340.445 1.624 0 40 EDAB O=C(Cc1cccs1)NCCn1nc(C(F)(F)F)ccc1=O 1888903966 RLKCNHKKUIIIHP-UHFFFAOYSA-N 331.319 1.683 0 40 EDAB CCOCCOC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1C 23076814 UIXPSGPQCMWBIC-UHFFFAOYSA-N 329.418 1.875 0 40 EDAB Cc1cc(NC(=O)CN2CCN(CCOc3ccccc3)CC2)on1 25433664 ZYRVZINFIIXPPA-UHFFFAOYSA-N 344.415 1.618 0 40 EDAB C[C@H]1CO[C@H](C(=O)N2CCN(c3cnc4ccccc4n3)CC2)C1 1056086130 DJNXYDMZCSNJRT-CJNGLKHVSA-N 326.400 1.703 0 40 EDAB O=C(c1ccncc1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 1775995399 SSPZXXWNCIOJSP-UHFFFAOYSA-N 338.411 1.679 0 40 EDAB Cc1noc(C[C@@H]2CO[C@@H]3CN(C(=O)Cc4ccc(F)cn4)C[C@H]23)n1 1565549672 YXFVLCRRJBXDFV-KCPJHIHWSA-N 346.362 1.171 0 40 EDAB C[C@H](O)CN[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O 5258277 HUQIENLDSQGDSV-CPCISQLKSA-N 335.187 1.746 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCc3onc(C(=O)NC(C)C)c3C2)nc1 2055745476 CIZVDVMNABFNFV-LBPRGKRZSA-N 342.399 1.804 0 40 EDAB CCOc1ccc(C(=O)NCc2cncc(N3CCCC3=O)c2)cn1 575619105 MBTLQIKEVZXLSA-UHFFFAOYSA-N 340.383 1.932 0 40 EDAB COc1cccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2ccnn2)C3)c1 618255411 OYKZTLAIGSYFPM-STQMWFEESA-N 348.428 1.844 0 40 EDAB CC(C)(C)NC(=O)CN1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1 2298104766 WOBJPJRASNJSNK-CYBMUJFWSA-N 345.434 1.871 0 40 EDAB O=C1NCCC[C@@H]1N1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1 2298187881 DAKDDGNPHKMXTJ-STQMWFEESA-N 329.391 1.235 0 40 EDAB COc1ccc(CNC(=O)N(C)Cc2nnc3n2CCC3)cc1OC 31030240 AQWBNDJIVVBLNU-UHFFFAOYSA-N 345.403 1.583 0 40 EDAB CN(C)c1cc(CNC(=O)NCc2ccc3c(c2)OCO3)ccn1 31080999 STQQQMGIIUJKSV-UHFFFAOYSA-N 328.372 1.876 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc3c(c2)OCO3)C1 40460723 JYUYDEOTQTXWLL-LBPRGKRZSA-N 335.356 1.596 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)C2=Cc3ccccc3OC2)CC1 40497316 BHQZQLAPTMIWOI-UHFFFAOYSA-N 336.413 1.003 0 40 EDAB CNC(=O)NC(=O)CCN1CCC[C@@H]1c1ccc(OC)cc1OC 40494040 YSRRKCYDPFGMFC-CQSZACIVSA-N 335.404 1.686 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccc(-c2nnn[nH]2)cc1)c1cccs1 40462903 RJPFBZMCIGOHCV-CYBMUJFWSA-N 342.428 1.961 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1F 215956 ZEZNPUFYCBWQRU-UHFFFAOYSA-N 341.386 1.904 0 40 EDAB N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1 1857794574 BMIIGOOPWZOMPN-IAGOWNOFSA-N 341.411 1.793 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCC2CCCCC2)no1 40528880 RDUJGCGUUDCXMU-LBPRGKRZSA-N 328.434 1.983 0 40 EDAB COc1ccc2[nH]cc(C3=CCN([C@@H](C)C(=O)NC(N)=O)CC3)c2c1 40554263 BOLHVMCTPJLHBQ-NSHDSACASA-N 342.399 1.849 0 40 EDAB O=C(CN1CCCC[C@@H]1C1OCCO1)NC(=O)Nc1ccccc1 69232372 WPXKVXITRXDANL-CQSZACIVSA-N 333.388 1.562 0 40 EDAB C[C@@H](C(=O)N1CCCC1)S(=O)(=O)Cc1nc(-c2ccccc2)no1 40528640 UIFZQBAPHCWRNH-LBPRGKRZSA-N 349.412 1.662 0 40 EDAB O=C(NCCOc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(CC2CC2)C1 40541397 WAYFTHLFGIYSTI-CYBMUJFWSA-N 346.383 1.169 0 40 EDAB NC(=O)c1cccnc1N1CCN(C(=O)Nc2ccccc2)CC1 70040587 VTCVHQWAHOMRIO-UHFFFAOYSA-N 325.372 1.535 0 40 EDAB NC(=O)CCN(CCC(N)=O)c1ccc2c(c1)C(=O)c1ccccc1-2 1706822 PRQGZELDHFQRDN-UHFFFAOYSA-N 337.379 1.455 0 40 EDAB CC1=NN(C(=O)C(=O)NCCc2ccccc2)[C@@](O)(C(F)(F)F)C1 3905085 BZEBVLGJBLVFFJ-AWEZNQCLSA-N 343.305 1.204 0 40 EDAB COc1ccccc1N(CC(N)=O)S(=O)(=O)c1cccs1 20924033 SXXYFKIYPXEKRB-UHFFFAOYSA-N 326.399 1.437 0 40 EDAB Cc1c(C(=O)NC[C@H]2CCN(C3CC3)C2)cnn1-c1ccccn1 101684942 LHANXMQGLLTIMF-CQSZACIVSA-N 325.416 1.790 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1 382472 QLQJWUMKMGOQSW-UHFFFAOYSA-N 340.445 1.765 0 40 EDAB Cc1cc(NC(=O)c2nnc3ccc(N4CCOCC4)cc3n2)no1 57312373 IKXNQQVFFBTNMZ-UHFFFAOYSA-N 340.343 1.410 0 40 EDAB CCc1ccccc1CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 83827729 FBPQUFJTFVWGQE-CQSZACIVSA-N 349.431 1.634 0 40 EDAB O=S(=O)(NCc1ccc(-n2cncn2)cc1)c1cccc(F)c1 32935768 JWCCOIGNXPBCRH-UHFFFAOYSA-N 332.360 1.885 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCO[C@H]2CCCC[C@@H]21 46493221 IGFMTHQCFNWVLH-GJZGRUSLSA-N 327.388 1.510 0 40 EDAB CCN(C(=O)CCc1c(C)nn(C)c1C)[C@H](C)CS(C)(=O)=O 71902974 FBXNUEJBOIKAHP-LLVKDONJSA-N 329.466 1.251 0 40 EDAB CCOc1cc(F)ccc1NC(=O)Cn1nc2ccccn2c1=O 46520344 BGOSSYLLGRTPSW-UHFFFAOYSA-N 330.319 1.673 0 40 EDAB CCCn1nnnc1CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 52685383 PFFMMFRFTXEYNM-UHFFFAOYSA-N 344.467 1.627 0 40 EDAB Cc1ccc(CCC2CCN(C(=O)CN(C)CC(N)=O)CC2)cc1 52831096 DNXJGMJUPRDKNY-UHFFFAOYSA-N 331.460 1.583 0 40 EDAB Cc1c(CN(C)C(=O)c2nn(C)c(C)c2Br)cnn1C 2778778 QKCOUBKZDHGEBP-UHFFFAOYSA-N 340.225 1.805 0 40 EDAB O=C(CCCn1cncn1)NCc1cccc(N2CCCC2=O)c1 53055066 QPWLRCGTINMSKS-UHFFFAOYSA-N 327.388 1.502 0 40 EDAB CN(Cc1ccccc1)C[C@H](O)CN1CCN(c2nccs2)CC1 69653678 IUXDCLJWTALRHJ-KRWDZBQOSA-N 346.500 1.758 0 40 EDAB O=C(Nc1nncs1)c1cccc(C(=O)Nc2nncs2)c1 2748765 DNCSHICRWBPCPU-UHFFFAOYSA-N 332.370 1.894 0 40 EDAB CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)c1cccnc1 69652002 KGWMBSHYDVOPQV-AWEZNQCLSA-N 331.397 1.848 0 40 EDAB COc1ccc2c(ccn2CC(=O)N2CCCN(C(C)=O)CC2)c1 46755557 DLAQLTNDVXNKCH-UHFFFAOYSA-N 329.400 1.731 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N(C)Cc1c(C)noc1C 46813652 AQJDQYJMFDYFNP-UHFFFAOYSA-N 344.414 1.960 0 40 EDAB O=C(N1CCOCC1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 107196299 SMVVZPUNZOYQFD-IYBDPMFKSA-N 333.407 1.642 0 40 EDAB O=C(NC1CCN(c2ccccn2)CC1)N[C@H]1CCN2CCCC[C@H]12 46943537 PSPXABQLXSCWIM-DLBZAZTESA-N 343.475 1.976 0 40 EDAB CNC(=O)C1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 12333638 MQSHHPUAZDZCOY-CYBMUJFWSA-N 335.423 1.331 0 40 EDAB O=C(CN1CCN(Cc2ccco2)CC1)N1CCc2ccccc2C1 23467448 OYTRSUVBNUQVJH-UHFFFAOYSA-N 339.439 1.982 0 40 EDAB Cc1nn(C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1Br 101684343 HVVKFOQIMSDSBK-XKNYDFJKSA-N 343.177 1.781 0 40 EDAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)Nc1cn[nH]c1 43143027 VUZYCKGZDYAYEG-OAHLLOKOSA-N 333.367 1.744 0 40 EDAB C[C@H](C(=O)NCc1ccccc1Cl)N1CCO[C@@H](CN(C)C)C1 106787425 VHJRLJULHJEIBF-HIFRSBDPSA-N 339.867 1.607 0 40 EDAB C[C@@H]1CN(CCCNc2cc(N3CCC[C@H]3CO)ncn2)C[C@@H](C)O1 106905848 PMXVGGKJQJTLFR-OAGGEKHMSA-N 349.479 1.349 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)NCCCn2nc3n(c2=O)CCCC3)o1 43720067 BTJNKACATVHTIK-CYBMUJFWSA-N 347.419 1.733 0 40 EDAB CCc1noc(CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 107362642 TXHHHFMLNDLXMQ-CVEARBPZSA-N 328.416 1.717 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H]2Cc3cccc(F)c3O2)C[C@@H]1N1CCOCC1 107323195 GRFPLXBLXSVLCL-XOKHGSTOSA-N 348.418 1.698 0 40 EDAB CC(=O)N1CCC(NC(=O)N2CCN(Cc3ccco3)CC2)CC1 43880730 MYYWVMKDZYMGQN-UHFFFAOYSA-N 334.420 1.118 0 40 EDAB COc1ccc(CCNC(=O)COC(=O)c2ccccc2O)cc1 3216579 RXMDPFKZDATWBQ-UHFFFAOYSA-N 329.352 1.917 0 40 EDAB COC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1ccccc1 57414221 JIYMDVVJJJXURC-HNNXBMFYSA-N 347.440 1.516 0 40 EDAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)cn2)cc1 12633047 SHUWTOHWOOKXMY-UHFFFAOYSA-N 349.412 1.567 0 40 EDAB CCc1nnsc1C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 57896340 JWXAEWMOWMBSEJ-UHFFFAOYSA-N 348.384 1.256 0 40 EDAB Fc1ccc(-c2noc(CN3CCN(c4ncccn4)CC3)n2)cc1 58159091 ZQNDNIDIFCYJCW-UHFFFAOYSA-N 340.362 1.988 0 40 EDAB CNC(=O)NC(=O)CCN(C)Cc1cc(Br)ccc1F 58209536 SLOUHKAUCVCNFT-UHFFFAOYSA-N 346.200 1.866 0 40 EDAB CCOc1c(Cl)cc(C(=O)N[C@@H]2CCCNC2=O)cc1OC 58209262 ASJPWFHINASDTJ-LLVKDONJSA-N 326.780 1.756 0 40 EDAB Cc1cc(C)n(-c2ccc(CC(=O)N3CCC[C@H](C(N)=O)C3)cc2)n1 44939214 KHZCBCSOBFCFSH-INIZCTEOSA-N 340.427 1.756 0 40 EDAB C[C@H]1CN(C(=O)NCc2cccnc2OCC(F)(F)F)CCO1 44968809 AIJKJWSGLGGBJJ-JTQLQIEISA-N 333.310 1.953 0 40 EDAB Cc1cc(CN2CCN(S(=O)(=O)N3CCC[C@@H](C)C3)CC2)on1 44910696 SFIWIYBBSFWQGP-CYBMUJFWSA-N 342.465 1.077 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 10304285 MJDAWHPXGAQKRZ-LLVKDONJSA-N 349.456 1.860 0 40 EDAB CN(C)CCn1cc(NC(=O)[C@@H](c2ccccc2)n2cccn2)cn1 58367573 BDDWVTABPKBHRK-QGZVFWFLSA-N 338.415 1.869 0 40 EDAB Cc1nn(C[C@H](O)CN(C)Cc2ccccc2)c(=O)c2noc(C)c12 58343053 WRLHXHBUOMJPIJ-OAHLLOKOSA-N 342.399 1.494 0 40 EDAB CCc1nn2c(=O)cc(COC(=O)Cc3c(C)noc3C)nc2s1 27915824 KLDMOTJEDKBBFY-UHFFFAOYSA-N 348.384 1.604 0 40 EDAB CCN(CC(=O)Nc1cc(OC)ccc1OC)C[C@H](C)C(=O)OC 58428296 SFXFXPZQZPPLBO-LBPRGKRZSA-N 338.404 1.773 0 40 EDAB O=C(CN1CCN(c2nccs2)CC1)NCCc1cccs1 69348537 GNPKLHFXFUAPAS-UHFFFAOYSA-N 336.486 1.686 0 40 EDAB CNC(=O)C1CCN(C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CC1 48230599 BFUAIVAFXPHUJC-UHFFFAOYSA-N 345.378 1.313 0 40 EDAB Cc1ccc(-c2cc(C(=O)NC3CCN(CC(N)=O)CC3)on2)cc1 48314109 QHMFBNDRPJYZIQ-UHFFFAOYSA-N 342.399 1.330 0 40 EDAB COc1cccc(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 8388774 XYOFGVHQTMEXJV-UHFFFAOYSA-N 331.372 1.524 0 40 EDAB C[C@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 89894700 RPEIYPOZWILHMM-CHWSQXEVSA-N 344.367 1.999 0 40 EDAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)CCC1=O 3404390 RZSXNVKVRDVWKN-UHFFFAOYSA-N 325.162 1.845 0 40 EDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 17636183 PMXUPCYRTRHSJK-NSHDSACASA-N 331.821 1.801 0 40 EDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(Cc2nnnn2C2CC2)CC1 69418380 NVAIKZYEWDNNSJ-NSHDSACASA-N 344.423 1.147 0 40 EDAB CCn1cc(CN2CCCN(C(=O)[C@H](C)n3cccn3)CC2)cn1 69493352 OVGXECCFWZIMDQ-HNNXBMFYSA-N 330.436 1.395 0 40 EDAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC 3899914 ANSQTWLGTCBCBF-HNNXBMFYSA-N 334.372 1.903 0 40 EDAB C[C@H](NC(=O)CN[C@H]1CCCN(Cc2noc(C3CC3)n2)C1)C1CC1 69742721 XQJXIXCYCVNEPP-WFASDCNBSA-N 347.463 1.416 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@H](Cn2cncn2)C1 69771260 QICYALYLRNOFSK-INIZCTEOSA-N 345.422 1.788 0 40 EDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1CCC[C@H](O)C1 39519496 FOZMVTXTPHLKOF-HNNXBMFYSA-N 333.432 1.157 0 40 EDAB COCc1nc(C(=O)NS(=O)(=O)c2cc(F)ccc2F)cs1 65041855 XGCHTKDGWPPOBU-UHFFFAOYSA-N 348.352 1.686 0 40 EDAB CN1CCN([C@H](C(=O)NO[C@H]2CCCCO2)c2ccccc2)CC1 69534586 UDGSALYYQCJXHB-IRXDYDNUSA-N 333.432 1.550 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N(C)CCCOc1ccccc1)C2 69587602 VFRLCJSPPRPIKY-UHFFFAOYSA-N 343.431 1.330 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1cccs1)C2=O 4308811 RGGVNGYPHUJQHN-BDJLRTHQSA-N 335.429 1.865 0 40 EDAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)c1ncnc2c1cnn2C 69565637 QNRQTFLLRVVDPC-SNVBAGLBSA-N 346.416 1.208 0 40 EDAB COc1ccc(S(=O)(=O)NC2CCC(C(N)=O)CC2)cc1Cl 69704552 WPRSYMMNKRRSCJ-UHFFFAOYSA-N 346.836 1.671 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)nc1)N(C[C@@H]1CCOC1)C1CC1 65449054 SRXFBXSVKJVAGD-AWEZNQCLSA-N 346.431 1.951 0 40 EDAB CC(=O)c1ccc(OC[C@@H](O)Cn2nnc3ccccc3c2=O)cc1 14199310 YCKXISCDOLYSJR-AWEZNQCLSA-N 339.351 1.434 0 40 EDAB CC[C@@H](C(=O)c1ccc(C)cc1)n1cnc2c1c(=O)[nH]c(=O)n2C 4606910 DCFUEEXYEJHSDM-LBPRGKRZSA-N 326.356 1.566 0 40 EDAB CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H](O)Cc1ccccc1)C(C)C 69810025 WXJHUEJWYXLMPH-FUHWJXTLSA-N 334.460 1.893 0 40 EDAB CNC(=O)C1(C(=O)Nc2ccc(OCc3nccn3C)cc2)CCC1 69847330 QRNNJVHQOFKXNQ-UHFFFAOYSA-N 342.399 1.854 0 40 EDAB O=C([C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCO2)N1CCOCC1 66485734 LXEPEOVBFDXELE-AWEZNQCLSA-N 346.383 1.269 0 40 EDAB COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1C=C[C@@H](C(=O)O)C1 92181890 JJIJZNMYCZMFEE-SCZZXKLOSA-N 331.777 1.656 0 40 EDAB CCN1C[C@@H](C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1=O 66706508 TUKMVVGHQPTPDZ-WFASDCNBSA-N 338.354 1.733 0 40 EDAB CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1nc3ccccc3c(=O)[nH]1)CC2 69902303 CWTMTBRMHCKAGN-RYUDHWBXSA-N 338.415 1.743 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)c2ccc(Cl)o2)CC1 69918509 JXPMQKJXDBERPO-UHFFFAOYSA-N 333.775 1.855 0 40 EDAB CSCc1ccc(NC(=O)C(=O)NCCC(=O)N2CCCC2)cc1 67492355 HFMSFMCUUGFHFV-UHFFFAOYSA-N 349.456 1.617 0 40 EDAB CCC(=O)c1cc(F)ccc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 8752295 PEKXNSHWWFMWHB-LLVKDONJSA-N 343.376 1.101 0 40 EDAB CC(C)N1C(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)NC1=S 8739868 JZXMAAKFTAPSJA-KDOFPFPSSA-N 343.452 1.850 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1 15950600 LKTKIZQHELSVLT-UHFFFAOYSA-N 347.392 1.563 0 40 EDAB Cc1ccc(C(=O)OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1C 7605632 UMCPZOMENQRQNS-MRXNPFEDSA-N 339.413 1.154 0 40 EDAB COc1cccc(C(=O)Nc2cc(OC)ccc2-n2cnnn2)c1 71287948 VSATWQMIVFTQLA-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB COc1cc(C(=O)NCCOCC(N)=O)ccc1OC1CCCC1 83923588 CMVFUZZUYFZFPS-UHFFFAOYSA-N 336.388 1.248 0 40 EDAB COC(=O)CN1CCN(c2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 71799906 LGKHFUFDXGCVFF-MRXNPFEDSA-N 347.415 1.099 0 40 EDAB CN1C[C@@H](NC(=O)c2csc(Cc3ccccc3F)n2)CC1=O 96410077 WHRWCBJCPXIATN-NSHDSACASA-N 333.388 1.834 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2c(C)[nH]c3ccccc23)CC1 71881990 ZVBNBHBIEDHMLI-HNNXBMFYSA-N 345.443 1.632 0 40 EDAB C[C@H]1CN(C(=O)NCCCNC(=O)c2ccc(F)cc2)C[C@@H](C)O1 71897806 AXXNDORPKZGHRU-BETUJISGSA-N 337.395 1.764 0 40 EDAB CCOC1CCN(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 71804030 QCZUBLLPJCJGDF-MRXNPFEDSA-N 345.443 1.998 0 40 EDAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCC(C)C 408704212 YMZFSBYNRQWQRR-UHFFFAOYSA-N 340.445 1.866 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)COc3cccc(C(N)=O)c3)C2)no1 72231767 VBILKROSDAECPU-CYBMUJFWSA-N 344.371 1.262 0 40 EDAB COCCS(=O)(=O)CC(=O)Nc1ccccc1Br 97166700 VRUVOWNNAGHFQT-UHFFFAOYSA-N 336.207 1.449 0 40 EDAB COc1ccc([C@H](O)CN2CCc3ncnc(N(C)C)c3C2)cc1F 97201959 LLKPYHHZVJKYMN-MRXNPFEDSA-N 346.406 1.782 0 40 EDAB Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 97372303 GLVYFSRETPKJMI-OAHLLOKOSA-N 328.372 1.541 0 40 EDAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(OCC(N)=O)cc1 78898633 DCKDUFYNSPECBL-CXAGYDPISA-N 345.443 1.287 0 40 EDAB CC(=O)N1CCN([C@@H]2CN(CC3(O)CCC(C)CC3)C[C@@H]2C)CC1 84689246 HBYNBAXYWOHXQP-DPCKTDSQSA-N 337.508 1.412 0 40 EDAB O=C(Nc1ccc(-n2cc[nH]c2=O)cc1)c1cccc(-n2cccn2)n1 95399049 AFMUMHFIJLFFGD-UHFFFAOYSA-N 346.350 1.999 0 40 EDAB O=C(CN1CCCS1(=O)=O)N1CCCC[C@@H]1Cc1ccccc1 78979498 NVLBYAZEASKXDE-MRXNPFEDSA-N 336.457 1.646 0 40 EDAB CCNC(=O)CNC(=O)N[C@H](C)c1cnn(Cc2ccccc2)c1 95440363 JUHFJWUQCFKNMC-CYBMUJFWSA-N 329.404 1.428 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)NCCCN(C)c1ccccc1F 95436868 QXJHMOBECQFDHN-OAHLLOKOSA-N 336.411 1.572 0 40 EDAB Cc1cc(CN2Cc3cncn3[C@@H](C(=O)NCC3CC3)C2)n(C)n1 306135870 PDIRSUZOEIFKSC-MRXNPFEDSA-N 328.420 1.008 0 40 EDAB Cc1cc(=O)[nH]cc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1 79075772 RJGGOVRFGBVFNY-UHFFFAOYSA-N 328.371 1.552 0 40 EDAB O=S1(=O)CCCN1Cc1ccc(I)cc1 88185940 XIWJRBBVKQVXHH-UHFFFAOYSA-N 337.182 1.827 0 40 EDAB CC1(C)OC[C@H](CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)O1 79107415 ACEXUVMSXDWHIO-SJORKVTESA-N 348.443 1.545 0 40 EDAB O=C(NCCc1cnc[nH]1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 79501773 ULLADHMOWSFPPA-NSHDSACASA-N 334.811 1.428 0 40 EDAB Cc1ccc(Cl)c2ccc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)nc12 95985563 HJVAGNNMWKPISD-LLVKDONJSA-N 344.802 1.344 0 40 EDAB CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCNC2)c1 95996582 GSNJEFVHCCYNDW-SECBINFHSA-N 348.266 1.155 0 40 EDAB COC(=O)c1ncn(CCOc2ccccc2Br)n1 95982652 VWSXWAOJEYVLDN-UHFFFAOYSA-N 326.150 1.906 0 40 EDAB CC(C)N1CC[C@@H](Nc2ccc(F)cc2CS(C)(=O)=O)C1=O 95965863 JAUUEDICBCAOMA-CQSZACIVSA-N 328.409 1.792 0 40 EDAB N=C(N)NC1=NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S1 9939606 UQTBNAKPNZGBGX-MRVPVSSYSA-N 325.781 1.150 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)N1CCCCCC1 9970121 RXHZIUQPJMXMBH-CQSZACIVSA-N 326.437 1.873 0 40 EDAB CC(C)C[C@H](CNc1cc(-n2ccnc2)ncn1)N1CCOCC1 75145128 PKWQVVQQIGIWOE-OAHLLOKOSA-N 330.436 1.821 0 40 EDAB CC(C)(C)c1nc(CC(=O)N2CCc3nnc(N)cc3C2)cs1 75129058 NMZKDPZVIIOLJG-UHFFFAOYSA-N 331.445 1.940 0 40 EDAB C[C@@H]1Cc2c(NC(=O)Cc3noc4ccccc34)nn(C)c2NC1=O 35597753 TUSDCBNKOZPFBN-SECBINFHSA-N 339.355 1.873 0 40 EDAB Cc1c([C@H](NS(=O)(=O)c2ccc(Cl)s2)C(=O)O)cnn1C 530435596 WMKVNPMQPNVKBZ-JTQLQIEISA-N 349.821 1.548 0 40 EDAB Cc1cnc2cc(C(=O)N3C[C@H](C)[C@@H](N4CCOCC4)C3)ccn12 564466737 VBIBRZZLZRGFML-BBRMVZONSA-N 328.416 1.435 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 32999414 DJOCWPAKTKFNDH-UHFFFAOYSA-N 327.384 1.736 0 40 EDAB Cc1c(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cnn1C 72242947 YKVGMMBKVXAXPP-UHFFFAOYSA-N 334.401 1.092 0 40 EDAB CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@H](O)c2ccccc2)c1 73308690 BLRVBHAICREBNR-MLGOLLRUSA-N 348.424 1.506 0 40 EDAB CCN1CCN(C(=O)c2cc(NC(=O)c3ccco3)n(C)n2)CC1 40745775 DYRGLKWGZSLSRH-UHFFFAOYSA-N 331.376 1.043 0 40 EDAB Cc1ccc(CN(Cc2ncc(C(=O)O)cn2)S(C)(=O)=O)cc1 49468364 TWOJZWOVDPHMAK-UHFFFAOYSA-N 335.385 1.445 0 40 EDAB CCC[C@@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1 225957254 WPPRPUUGNLICPP-IUODEOHRSA-N 342.461 1.980 0 40 EDAB CNS(=O)(=O)c1cccc(NC(=O)c2nc3cccnc3s2)c1 225765206 MWBINGXJHALUTR-UHFFFAOYSA-N 348.409 1.852 0 40 EDAB COC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Cl)c2)C1 45958137 VBAVQRANHUCDRG-LLVKDONJSA-N 338.791 1.703 0 40 EDAB C[C@@H](C(=O)N1CCc2ccccc2C1)n1nnc2ccccc2c1=O 44448990 BCKGNPRQPOBWTE-ZDUSSCGKSA-N 334.379 1.937 0 40 EDAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@H](N2C(=O)COC2=O)C1 225701347 UJNLWZWFNUZCBX-LBPRGKRZSA-N 340.339 1.270 0 40 EDAB Cc1cc(C)cc(C(=O)NCc2ccnc(N3CCOCC3)n2)c1 224217572 FFSGPRRCGWMVQZ-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB Cc1cccc(NC(=S)c2c(N)nc(N3CCOCC3)[nH]c2=O)c1 40385521 NJECFKZXWYTYNU-UHFFFAOYSA-N 345.428 1.285 0 40 EDAB CC(C)(O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 191801621 RUZOFJOZSDEBHW-NSHDSACASA-N 327.222 1.915 0 40 EDAB CCOC(=O)c1csc(NC(=O)c2cc(N3CCCC3)ncn2)n1 225536013 ACNHAKZAJFGMCA-UHFFFAOYSA-N 347.400 1.962 0 40 EDAB CS(=O)(=O)N1CC2(CCN(c3cnccn3)CC2)c2ccccc21 96078875 NXJHJNIPIHTIGH-UHFFFAOYSA-N 344.440 1.794 0 40 EDAB O=C1CO[C@]2(COCCN(Cc3ccsc3)C2)CN1c1ccoc1 96051395 UPQVMGNBBMCFIV-KRWDZBQOSA-N 348.424 1.976 0 40 EDAB Cn1cc([C@H]2CC(=O)NC23CCN(Cc2cccnc2)CC3)cn1 96061493 QIMMLLUAMHBISB-MRXNPFEDSA-N 325.416 1.453 0 40 EDAB Cc1ccc2[nH]c3c(c2c1)C[C@H](NS(=O)(=O)c1cnnn1C)CC3 330089748 OYUVLFQRXRAWRY-LLVKDONJSA-N 345.428 1.441 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)COc2ccccc2F)[C@@H]1c1cccnc1 583619566 STCHZSFDLQIRNW-KDOFPFPSSA-N 343.358 1.688 0 40 EDAB Cc1nc([C@@H]2C[C@H]3CN(S(=O)(=O)c4ccccc4C)C[C@H]3O2)no1 96070496 FTEIORMABLBVDY-MELADBBJSA-N 349.412 1.837 0 40 EDAB COC[C@@H]1C(=O)NCC12CCN(Cc1ccc3c(c1)OCO3)CC2 96207461 AUOPSLWWKHKSKL-CQSZACIVSA-N 332.400 1.390 0 40 EDAB CCn1cc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)cn1 579119171 SBIHDBYYTXPASI-ZDUSSCGKSA-N 341.364 1.536 0 40 EDAB C[C@@H]1CN=C(N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)S1 96449194 MCAWQBGWYZENQQ-CYBMUJFWSA-N 343.456 1.303 0 40 EDAB O=C(c1ccncn1)N1CC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96208595 WIMXITGPBVCENW-QAPCUYQASA-N 340.383 1.462 0 40 EDAB C[C@H](NC(=O)[C@H]1CCc2nn(C)c(=O)cc2C1)c1ccc(F)cc1 238834976 GOJOKSFBTUZTBP-AAEUAGOBSA-N 329.375 1.902 0 40 EDAB COC(=O)C1=NN(c2ccc(C)cc2)c2ncccc2S1(=O)=O 96511610 SSYFQMQRTMVDAV-UHFFFAOYSA-N 331.353 1.802 0 40 EDAB CN1CCN(C(=O)[C@H]2C[C@H]3[C@H](CCN3Cc3cccs3)O2)CC1 96183654 ROHQMFDGEIAMOS-HRCADAONSA-N 335.473 1.254 0 40 EDAB Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@@H](C)Cn1ccnc1 96411192 MWKCXQGSNBQWKE-XJKSGUPXSA-N 339.403 1.167 0 40 EDAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCc1cccc(-n2cncn2)c1 96421598 RHHDARTVAOWVPW-XHSDSOJGSA-N 341.415 1.880 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnn(C)c1-n1cccc1 96495125 FSWXPHMGGNWEAY-CYBMUJFWSA-N 339.403 1.630 0 40 EDAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccncc3)CC[C@@H]21 96185648 ZWMPCGRYCCRJAS-SQNIBIBYSA-N 340.431 1.185 0 40 EDAB CCCNC(=O)Cn1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96183127 JETLDRCHEJKANJ-UHFFFAOYSA-N 331.372 1.454 0 40 EDAB CCn1nc(C)c2nnn(CC(=O)Nc3cccc(Cl)c3)c(=O)c21 96182370 UTFMKOKYGSCKJP-UHFFFAOYSA-N 346.778 1.608 0 40 EDAB COC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)Cc2cncn2C1 96208131 ZBEBNMXGPAFQHA-GFCCVEGCSA-N 339.392 1.489 0 40 EDAB O=C(c1cccnc1)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1 96209105 OZYLFRLVAXTIBF-CRAIPNDOSA-N 329.400 1.468 0 40 EDAB Cc1cc(CCNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc(C)c1O 249392549 BTFQDDOGGOQPQY-ZNFSNMQZSA-N 330.428 1.962 0 40 EDAB O=C(c1ncccn1)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 247867745 PHUXZOMYXXGYQF-CQSZACIVSA-N 340.383 1.572 0 40 EDAB COc1cc(N2CC3(C2)OCC[C@H]3CCNc2ccccn2)ncn1 247874504 GLGXFAYZSFSPAQ-CQSZACIVSA-N 341.415 1.978 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NCCc1cc(C)n(C)n1 240068112 SINZMZUOXOKSMG-UHFFFAOYSA-N 327.381 1.397 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 242688345 VNHCISAJECAVFL-YRGRVCCFSA-N 331.821 1.359 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1 257321480 WBWJQHKYBCVVMX-ZDUSSCGKSA-N 338.371 1.608 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)n1 257339266 ZAZFOILYBHPBGR-MRXNPFEDSA-N 343.431 1.698 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2S(=O)(=O)Cc2ccccc2)n1 257296620 RDOYCAJVAWFOKK-HNNXBMFYSA-N 349.412 1.394 0 40 EDAB COC(C)(C)CCN1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 585116400 ULZBKUDBZNWOHW-KRWDZBQOSA-N 346.468 1.390 0 40 EDAB C[C@@H]1CCc2nc(C(=O)N3CCC[C@H](CN4CCOCC4)C3)cn2C1 585122490 POZMSMRQPQBBHB-HZPDHXFCSA-N 346.475 1.650 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)c2cccn2C)n1 257292261 QKSGVUBTRKJXON-AWEZNQCLSA-N 327.388 1.429 0 40 EDAB O=C1COc2cccc(C(=O)N3CCC([C@@H]4CCOC4)CC3)c2N1 585120944 YXKYPUYFOHFSPP-CYBMUJFWSA-N 330.384 1.906 0 40 EDAB Cn1ncc(I)c1CN[C@@H]1C[C@H]2CC[C@H]1O2 585137193 LSMIQXNBRUIARD-BCMRRPTOSA-N 333.173 1.434 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 41132732 UNDHWAISBDVKDO-QRGHLMKCSA-N 328.290 1.932 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257339935 ZDVFTGNFLAKJAT-OAHLLOKOSA-N 330.388 1.841 0 40 EDAB O=C(c1ccccc1F)N1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 257215252 CPHYHWKNEDUJEC-HOTGVXAUSA-N 348.374 1.057 0 40 EDAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCCn2cccn2)[C@H]1O 257222565 DTTSZROEFAVRDS-BFYDXBDKSA-N 331.420 1.439 0 40 EDAB Cc1cc(C[C@H]2COCCN(C(=O)Cc3c(C)noc3C)C2)ncn1 257266865 MEWYKGHSGJUUAD-OAHLLOKOSA-N 344.415 1.650 0 40 EDAB CNC(=O)c1cccc([C@H]2CNCCN2CC(=O)N2CCCCC2)c1 257200682 AEMDNNQJWYBDIP-QGZVFWFLSA-N 344.459 1.005 0 40 EDAB CS[C@@H]1CCC[C@@H](NC(=O)NCC2(OCCO)CCOCC2)C1 252504801 VLRHNXCEXFVEBZ-ZIAGYGMSSA-N 346.493 1.518 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2Cc2nc3ccccc3n2C)n1 257229971 GAELBIIQKHBXPD-INIZCTEOSA-N 339.399 1.951 0 40 EDAB Cc1ccsc1C(=O)N(C)C[C@]1(O)CCN(c2ncccn2)C1 257315622 VCDVVUKTWXHNFR-MRXNPFEDSA-N 332.429 1.560 0 40 EDAB CC[C@@H](CNC(=O)N1CC[C@](F)(CO)C1)N1CCc2ccccc2C1 252478089 ACVNEWDJWTXLKE-PKOBYXMFSA-N 349.450 1.939 0 40 EDAB Cn1cc(Cl)c(C(=O)N2CC3(CCOCC3)CC[C@@H]2CO)n1 1615547209 FWWDQZIDHUOBNN-LLVKDONJSA-N 327.812 1.467 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccccn2)CC1 96024732 YZRMVALDCLQXLI-UHFFFAOYSA-N 337.401 1.919 0 40 EDAB O=C(C[C@H]1COc2ccccc2O1)N1CCN(CC(F)(F)F)CC1 294607539 ZPOWHMRDGWLGDM-LBPRGKRZSA-N 344.333 1.923 0 40 EDAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C2)c1F 390827405 GXKYBQJZCBLGNO-GFCCVEGCSA-N 332.335 1.105 0 40 EDAB CC(=O)c1ccc(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)cc1 575606450 OVFJWRIHNFGTBV-UHFFFAOYSA-N 342.403 1.136 0 40 EDAB O=C(CCCn1ccnc1)N1CC[C@](O)(COc2cccc(F)c2)C1 585270734 AFSQRIQZHCGGJI-GOSISDBHSA-N 347.390 1.845 0 40 EDAB O=C(N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1)C1(F)CCC1 585100998 RFNHLYCQLBHAFP-INIZCTEOSA-N 332.379 1.714 0 40 EDAB CCn1ccc(C(=O)N2CCC[C@]23CC(C)(C)O[C@H]3CC(N)=O)n1 585287714 CAECKKZHXKVAHY-SUMWQHHRSA-N 334.420 1.321 0 40 EDAB CN(C)c1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccncc3)C2)cc1 83854270 XIDUZWDYEGYADT-MRXNPFEDSA-N 338.411 1.792 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H](c2ccccc2)O1 72289326 QSOHOQUSBPYBFT-JSGCOSHPSA-N 345.399 1.305 0 40 EDAB CC(C)NC(=O)CN1CCC(NC(=O)/C=C/c2cccc(F)c2)CC1 75125623 XPNMJSABGJDZAD-VOTSOKGWSA-N 347.434 1.944 0 40 EDAB Cc1cc(N2CCC[C@@H](NC(=O)Cc3cccc(F)c3)C2=O)n(C)n1 97009930 CVXTVKHGCQXFPK-OAHLLOKOSA-N 344.390 1.722 0 40 EDAB CC(=O)NCCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 78301100 DXENKGWNJNFWDB-UHFFFAOYSA-N 332.400 1.870 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1ccc3c(c1)CCO3)C2 90168372 MWGWMAVXNJFUCC-CYBMUJFWSA-N 333.413 1.420 0 40 EDAB C[C@H](c1nc(-c2ccccc2)no1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1616039484 YOGUKKCFTQBZBP-FZGMBXNASA-N 339.351 1.960 0 40 EDAB O=C(NCc1ccc(F)cc1)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549161244 GCLOVWRHBRRMAD-UHFFFAOYSA-N 333.363 1.664 0 40 EDAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OC 5006643 LSMMFHYNHSFVGJ-YRNVUSSQSA-N 334.328 1.160 0 40 EDAB C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5920475 VBTWNIRYJQZFTR-DGCLKSJQSA-N 346.408 1.679 0 40 EDAB O=C1NC2=C(C(=O)N(CCO)C2)[C@H](c2ccc(Cl)c(Cl)c2)N1 12346971 KLSSHWGSEMQYEW-LBPRGKRZSA-N 342.182 1.436 0 40 EDAB COc1cccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 12999976 OPCCXNCGWNGPQY-UHFFFAOYSA-N 341.323 1.660 0 40 EDAB CC(C)Cc1nc2n(n1)[C@@H](C(=O)NCc1ccccc1)CC(=O)N2 17067024 RSMBJVAWCLPLDU-CYBMUJFWSA-N 327.388 1.676 0 40 EDAB CCN(CC)c1ncc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)s1 19746906 HWCFRINJIBOCIR-MRXNPFEDSA-N 340.493 1.668 0 40 EDAB CCc1csc(-n2cc(C(=O)N3CCC[C@H]3C(=O)N(C)C)cn2)n1 529864362 YQVYJZXQGLMWBU-ZDUSSCGKSA-N 347.444 1.584 0 40 EDAB C[C@]12CC(=O)CC(CO)(CO)[C@H]1[C@@H](O)C[C@@]13C[C@@H]4[C@H](C[C@@H]12)[C@@]4(C)C3 253388456 WTOYNGQRGOLPNU-HBTFYFLESA-N 334.456 1.760 0 40 EDAB biogenic,in-vitro C[C@@H]1CCCC[C@@H]1NC(=O)C1CN(c2cc(-n3cccn3)ncn2)C1 253472311 LIBMSHTXWKWZLV-HIFRSBDPSA-N 340.431 1.793 0 40 EDAB Cc1ccc(C(=O)NCC[C@H]2CCCN(c3ccnc(C)n3)C2)nn1 1102920773 NDWZOMDIYGPMST-OAHLLOKOSA-N 340.431 1.920 0 40 EDAB Cc1nc(C)c(F)c(N2CCN(c3ncnc4c3ncn4C)CC2)n1 1888885388 BUXJFWZJHYQGAB-UHFFFAOYSA-N 342.382 1.236 0 40 EDAB O=C1[C@H](N2CC(Cn3cc(Br)cn3)C2)CCN1C1CC1 1889062018 JRPBXOGTROWDMA-CYBMUJFWSA-N 339.237 1.341 0 40 EDAB FC(F)(F)c1nnc2ccc(N3CCC4(CC3)OCCO4)nn12 28068589 WINRQVWIZCQXFS-UHFFFAOYSA-N 329.282 1.486 0 40 EDAB O=C(NC[C@@H](O)c1ccccn1)c1ccc(OC2CCOCC2)nc1 240122490 WAIGIJCNQUJLRO-MRXNPFEDSA-N 343.383 1.498 0 40 EDAB O=C(Cn1ncccc1=O)N[C@H](c1cccs1)C1CCOCC1 1565523504 PNOGUNHFASPTFC-INIZCTEOSA-N 333.413 1.589 0 40 EDAB CC[C@H](C)NC(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479671 WSSUHZWVMJKPRB-NWDGAFQWSA-N 333.388 1.661 0 40 EDAB CC[C@H](C)NC(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479673 WSSUHZWVMJKPRB-RYUDHWBXSA-N 333.388 1.661 0 40 EDAB Cc1cccn2c(=O)nc(SCC(=O)NCc3ccccc3)nc12 4504066 UYPKAUNDDBECAB-UHFFFAOYSA-N 340.408 1.806 0 40 EDAB CC(C)(C)n1ncc2c(=O)n(NC(=O)Cc3cccs3)cnc21 10250930 ISSQHOZLEJGKJV-UHFFFAOYSA-N 331.401 1.722 0 40 EDAB CC(=O)c1cc(C(=O)N2CCC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)n[nH]1 2055834981 OWHQZYUIRGFKEO-RDTXWAMCSA-N 347.415 1.803 0 40 EDAB CCc1cc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)ncn1 2086884531 GNLZVFLFVKAYRV-CYBMUJFWSA-N 340.374 1.502 0 40 EDAB O=C(COc1ccccc1)NCCNc1cc(-n2cccn2)ncn1 35597290 HVOXZPFAKMNWKY-UHFFFAOYSA-N 338.371 1.269 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)NCc1cccc(OC)c1 5194849 VPAVQPCYVPHEFW-ZDUSSCGKSA-N 326.418 1.789 0 40 EDAB COCc1cccc(CNC(=O)Cn2cnc3ccccc3c2=O)c1 40114040 HMTXMCHXPYVUED-UHFFFAOYSA-N 337.379 1.859 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1c[nH]c2c(Cl)cccc2c1=O 40285212 QBKSVOCVTDDDFS-QMMMGPOBSA-N 340.788 1.098 0 40 EDAB C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1CCCC1 40490286 WVUVKMITONPVDR-ZDUSSCGKSA-N 337.445 1.649 0 40 EDAB CCCNC(=O)[C@H](C)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 69537265 GWJFBYZQMOBSSC-WFASDCNBSA-N 336.411 1.936 0 40 EDAB O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCO[C@H]2CCCC[C@@H]21 40553800 HJOSVVGYDIMWKK-HOTGVXAUSA-N 345.374 1.706 0 40 EDAB CN(C)CCN(C[C@H]1CCCO1)C(=O)Cc1cn2ccccc2n1 69534555 DGYKJZNMOAVVBS-MRXNPFEDSA-N 330.432 1.446 0 40 EDAB Cc1cc(NC[C@@H]2CCS(=O)(=O)C2)n2nc(C(F)(F)F)nc2n1 45726378 FCKJRXZMPOOZLW-QMMMGPOBSA-N 349.338 1.298 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2ccco2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4029790 FDERVCFEOHKBSB-CFAJVAMVSA-N 338.356 1.446 0 40 EDAB Cn1ccc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1=O 32294425 MJVKWTVITVKQSE-UHFFFAOYSA-N 341.289 1.651 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)NC[C@@H]3CCCO3)ccc2c1=O 32478288 VTKOTZNUSOQSFT-LBPRGKRZSA-N 331.372 1.180 0 40 EDAB Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)n(C)c3nc12 387255 FIUPBEKSSJNOOC-UHFFFAOYSA-N 347.378 1.820 0 40 EDAB COCCCNC(=O)CN1C(=O)[C@@H](C(C)C)Oc2ccc(C)cc21 4970843 FQJHRTFPJDKSMS-QGZVFWFLSA-N 334.416 1.898 0 40 EDAB CC(=O)Oc1c(C(=O)c2nnc(C)o2)c(=O)n(C)c2ccccc12 344125 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O=C(CC1CCCCC1)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 71921225 WDYGOLGEGXUIDC-MRXNPFEDSA-N 342.505 1.725 0 40 EDAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)c1ccnc(-n2cncn2)c1 71924318 ZKSULZCBNBIPKE-GJZGRUSLSA-N 335.367 1.957 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@H](C)Cn2cccn2)cnc1Cl 71910217 HIZCCMDLKSCXHD-JTQLQIEISA-N 328.825 1.855 0 40 EDAB Cc1ccc2c(c1)N(C(=O)CSc1nnc(C)c(=O)[nH]1)CCO2 11905419 CKPJETMNJWPVAU-UHFFFAOYSA-N 332.385 1.299 0 40 EDAB Cn1c(=O)c2nc(Br)n(Cc3ccccc3)c2n(C)c1=O 21996126 OBHFGMOIYHKOPE-UHFFFAOYSA-N 349.188 1.245 0 40 EDAB C[C@H]1CCC[C@@H](NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C1 33185189 KOWKSDRYURXGPL-CMPLNLGQSA-N 342.399 1.728 0 40 EDAB O=C(CCN1CCN(CC(=O)N2CCCC2)CC1)Nc1ccccc1 22199547 XDDWNFGLEHHABC-UHFFFAOYSA-N 344.459 1.255 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@H]2c2cc(C)no2)ccc1=O 53400716 ZQYDHUFLJFULFN-ZDUSSCGKSA-N 332.360 1.163 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@H](C)CO1 53459448 MKLFUOBXDUOLJA-FMKPAKJESA-N 345.443 1.638 0 40 EDAB CN1CCN(CCNC(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 53717947 KVPAUEJTLPFDSX-UHFFFAOYSA-N 339.823 1.088 0 40 EDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@@H](C2)N3C(=O)C(C)C)n1 100146938 UYKQUHGIKYKIME-GJZGRUSLSA-N 333.432 1.482 0 40 EDAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1S(N)(=O)=O 29572844 SPRJGMOVWFEDDF-UHFFFAOYSA-N 334.397 1.581 0 40 EDAB O=C([C@@H]1CCCO1)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 100119180 RZXYFVWVHXXPJW-XEZPLFJOSA-N 339.395 1.491 0 40 EDAB CCN(CC)C(=O)N1CCC(C(=O)NCCN2CCCCC2)CC1 46856561 DFRKOPUFMBOVDU-UHFFFAOYSA-N 338.496 1.762 0 40 EDAB CCCNC(=O)[C@@H](CC(C)C)NC1=NS(=O)(=O)c2ccccc21 23983542 WUXLECWYZVVMGY-CYBMUJFWSA-N 337.445 1.666 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cn2ccccc2n1 55210109 SJRVBPHVYFXWLL-CYBMUJFWSA-N 341.392 1.983 0 40 EDAB CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 106545987 OMBRPLHZDJDQPK-ZIAGYGMSSA-N 338.402 1.937 0 40 EDAB Cc1cc(C)n(CCCNC(=O)c2ccc(-n3cnnn3)cc2)n1 25171252 NAOJKGFSAAMJTH-UHFFFAOYSA-N 325.376 1.296 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)N(C[C@H]2CCOC2)C2CC2)cc1 56321989 NXGUQFCDKIVDKS-LLVKDONJSA-N 339.417 1.367 0 40 EDAB Cn1c(SCC(=O)NC[C@H]2CCCO2)nc2ccsc2c1=O 26099729 LSTDEFWHBQTGIS-SECBINFHSA-N 339.442 1.382 0 40 EDAB CN(Cc1ccccc1)C(=O)NC1CCN(S(C)(=O)=O)CC1 26281306 IPPVODXGRBRCSP-UHFFFAOYSA-N 325.434 1.252 0 40 EDAB COc1ncccc1CNC(=O)NC[C@H]1COc2ccccc2O1 26384763 SPDWNAFWXZPHTA-ZDUSSCGKSA-N 329.356 1.729 0 40 EDAB COc1ccnc(N2CCN(C(=O)Cc3cccc(F)c3)CC2)n1 47693641 YQQQOOHRMXYVOV-UHFFFAOYSA-N 330.363 1.516 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(F)cc2)[nH]n1 44227287 PONBICOLTPVQOI-SNVBAGLBSA-N 337.376 1.380 0 40 EDAB O=C(Cc1ccon1)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO 108364183 DGJVTZVJHQEBMC-WBVHZDCISA-N 329.400 1.216 0 40 EDAB COc1ccc(CN2CCN(C(=O)NCC3CC3)CC2)cc1OC 25085535 URLLQURVBGPTOA-UHFFFAOYSA-N 333.432 1.941 0 40 EDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H](C)N(C)C1CC1 57716195 SIIVBCQZWDLMQU-KXBFYZLASA-N 345.487 1.969 0 40 EDAB CN(C(=O)CNc1cccc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 57886574 HJYWBDDMFQYCNS-AWEZNQCLSA-N 336.457 1.623 0 40 EDAB O=C1CN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cn2)CCN1 27270678 UIGQHGYEMYBXHW-UHFFFAOYSA-N 344.802 1.852 0 40 EDAB O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)N2CCOCC2)CC1 27346617 UOLPVAIOPPNOII-UHFFFAOYSA-N 339.342 1.175 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H]1CCS(=O)(=O)C1 44873650 KSOQAAIEGKUZCU-HNNXBMFYSA-N 347.440 1.465 0 40 EDAB CC(C)C(=O)N1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 44816402 KRYIVCHBOVHVLR-UHFFFAOYSA-N 344.415 1.157 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NCC(C)(C)N3CCOCC3)cc12 44896741 WHKXTIREZAKDLP-UHFFFAOYSA-N 331.420 1.117 0 40 EDAB CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 58248574 JMUQGLXADYGPLQ-JTQLQIEISA-N 348.827 1.968 0 40 EDAB CC(C)(C(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccccc1 58268316 PLROORDDOANDNO-WMZOPIPTSA-N 346.471 1.818 0 40 EDAB Cc1cc2n(n1)C[C@H](CNCc1ccc(N3CCOCC3)nc1)CN2 58298891 SKVPSPMTJYKRJS-MRXNPFEDSA-N 342.447 1.255 0 40 EDAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)CCN1C(=O)CCC1=O 58249359 BQVHOQCKXVNYFP-UHFFFAOYSA-N 344.346 1.704 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)N1 58280496 CAFPGTIOEIDAEM-QWHCGFSZSA-N 347.802 1.644 0 40 EDAB Cc1ccc(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cn1 44970472 PEXRQBDYOBKYPP-OAHLLOKOSA-N 326.404 1.648 0 40 EDAB O=C(N[C@@H]1CCOc2ccccc21)c1sccc1-n1cnnn1 44935079 UKYOGIDIQRJWIL-LLVKDONJSA-N 327.369 1.977 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNC[C@H](C(C)C)N1CCN(C)CC1 58404274 JBGNNCTTYUVXBD-QGZVFWFLSA-N 336.528 1.156 0 40 EDAB CN(CC(=O)Nc1cnn(C(C)(C)C)c1)c1ncnc2[nH]cnc12 58421797 RAYDLYAUQIOLAG-UHFFFAOYSA-N 328.380 1.379 0 40 EDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1=COCCO1 10703094 OYEBHVUJNGGIEY-UHFFFAOYSA-N 347.371 1.320 0 40 EDAB COc1ccc(C(=O)OCc2cccc(F)c2)cc1S(N)(=O)=O 11043991 HLMXLUYHJYNTCI-UHFFFAOYSA-N 339.344 1.839 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCCC2)cc1 3361692 UTUCSXYEJCQTFY-CYBMUJFWSA-N 340.445 1.765 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)C2CCN(C(=O)C3CC3)CC2)n1 48374885 QZTZVKZTVQKUTM-CYBMUJFWSA-N 346.475 1.901 0 40 EDAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@H](CC(C)C)C1=O 3487603 QOZQSPUOPNWUIZ-CYBMUJFWSA-N 333.388 1.909 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)NCC1(c2ccccc2)CC1 69601393 SPEVHZYBNNHLJA-QGZVFWFLSA-N 339.443 1.591 0 40 EDAB CCCN(C)C(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1 63787791 KCHVIJGYEFFLAH-UHFFFAOYSA-N 337.420 1.762 0 40 EDAB CCOc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4147593 RUBVKUPZVUHCBV-CUFDPUGPSA-N 326.352 1.537 0 40 EDAB C[C@@H](NC(=O)C(=O)N[C@H]1COc2ccccc2O1)c1ccccc1 27298933 AABYRQRTDIJIJY-MLGOLLRUSA-N 326.352 1.778 0 40 EDAB CC(C)[C@@H](C(=O)Nc1cnn(Cc2cccnc2)c1)N1CCCC1=O 69700213 XVEYNOFSDCYQIY-KRWDZBQOSA-N 341.415 1.912 0 40 EDAB CCN1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)C1=O 4326296 YQZDJHFHBMLSBM-UHFFFAOYSA-N 344.198 1.623 0 40 EDAB CCc1cc(=O)oc2cc(OCC(=O)NCCCO)c(Cl)cc12 5206423 MBRAMLYFDSKMLO-UHFFFAOYSA-N 339.775 1.886 0 40 EDAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(N)=O 5260376 OVQRDQOQXREMCN-NSHDSACASA-N 343.474 1.612 0 40 EDAB COc1ccccc1NC(=O)COC(=O)c1ccccc1NCCO 5279278 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CN(Cc1cccc(F)c1)C(=O)CN1CCC[C@@H](Cn2cncn2)C1 69872855 HLIUMXAHLHTJFN-MRXNPFEDSA-N 345.422 1.788 0 40 EDAB CN(C)CC(C)(C)CNC[C@@H](O)COCc1ccc2c(c1)OCO2 6790331 TZFHQOJOVUJDOY-OAHLLOKOSA-N 338.448 1.470 0 40 EDAB O=C(COC(=O)c1cccc2ccccc12)N[C@@H]1CCS(=O)(=O)C1 4836631 RCPZMYQSZSJCLC-CYBMUJFWSA-N 347.392 1.300 0 40 EDAB CCNC(=O)Cn1ccc(NC(=O)c2cccnc2OCC(C)C)n1 67242636 LFFGCXJIMPFQON-UHFFFAOYSA-N 345.403 1.701 0 40 EDAB CCN(C)S(=O)(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 89960869 HTRWYECIZBBRAF-OAHLLOKOSA-N 330.425 1.768 0 40 EDAB O=S(=O)(NC[C@@H](O)C1CC1)c1ccccc1OC(F)(F)F 71304587 DGPDJGJFDLWGPT-SECBINFHSA-N 325.308 1.634 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)cc1C 408649924 FHXCHGPMRWLCHB-RZQILNRJSA-N 343.379 1.983 0 40 EDAB C[C@@H]1CN(S(=O)(=O)NCCc2cccc3cccnc23)C[C@@H](C)O1 89936757 GGZHPYHYZXCZOY-ZIAGYGMSSA-N 349.456 1.721 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCC[C@@H](n4nc(C)nc4C)C3)c2n1 75602769 KXMVXHUIKRELRV-CQSZACIVSA-N 339.403 1.723 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2Cn2cccn2)c1 71866216 OEVXFBHCTLRQRD-CQSZACIVSA-N 333.413 1.591 0 40 EDAB COC(=O)CN(Cc1ccccc1C)C(=O)[C@@H](C)N1CCOCC1 71874851 ULKPMNZVQKTMJA-OAHLLOKOSA-N 334.416 1.217 0 40 EDAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCC(C(N)=O)CC2)n1 71831091 JNEMLXFIOXIOIW-UHFFFAOYSA-N 342.399 1.527 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 76055083 BDGKSZCHMNIHHR-HEHGZKQESA-N 334.464 1.320 0 40 EDAB COc1ccccc1C(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 84102041 OIRNLAFHIGIUPF-GFCCVEGCSA-N 349.412 1.812 0 40 EDAB Cc1cc([C@H]2CCCN(CC(=O)NCc3c(C)noc3C)C2)n[nH]1 84111010 QIGFXYVFBOGQLG-AWEZNQCLSA-N 331.420 1.819 0 40 EDAB CCOc1nnc(CN2CCO[C@@H](Cn3nc(C)nc3C)C2)s1 72253524 JPUNZDTXPFDNSX-GFCCVEGCSA-N 338.437 1.046 0 40 EDAB COc1ccc(C)cc1[C@H](C)NC(=O)N[C@H](C)CN1CCN(C)CC1 72270051 STKMBQFVBMCLLA-CVEARBPZSA-N 348.491 2.000 0 40 EDAB COc1ccc(CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 72274016 ZGARWGKOPOOKMF-NVXWUHKLSA-N 333.432 1.400 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)no1 72232044 KUKPRSCPTGLRKI-ZIAGYGMSSA-N 337.420 1.924 0 40 EDAB COc1ccc(-c2nc(CNC(=O)NCc3ccncc3)n[nH]2)cc1 72277992 CYURAZDROMGMAK-UHFFFAOYSA-N 338.371 1.875 0 40 EDAB O=C(NCC[C@H](O)C(F)(F)F)[C@H]1CSCN1C(=O)C1CCC1 72288835 IKTVRRNWWWOWPV-ZJUUUORDSA-N 340.367 1.118 0 40 EDAB C[C@H](O)[C@@H]1CCCN(c2cc(N3CCC[C@H]([C@@H](C)O)C3)ncn2)C1 97096803 JZKYHGKPTKFMAC-SYMSYNOKSA-N 334.464 1.671 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 97034465 AQFYEFFKIMXFDY-XHSDSOJGSA-N 338.473 1.676 0 40 EDAB Cc1nc(N2CCCC2)ccc1NC(=O)N[C@@H]1CCc2ncnn2C1 97104112 WJPYRCGYZDGDLV-CYBMUJFWSA-N 341.419 1.718 0 40 EDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc2c(c1)OCCO2 72300607 LLCKPNSYGQCKBZ-JSGCOSHPSA-N 340.445 1.217 0 40 EDAB Nc1ncc(Cl)cc1S(=O)(=O)NCCCOC[C@@H]1CCCO1 84338557 GVITZOYKQRYUTJ-NSHDSACASA-N 349.840 1.181 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(CC(=O)NCC3CCCCC3)C2)n[nH]1 78900329 HOXKQUIIJFNZED-CQSZACIVSA-N 347.463 1.385 0 40 EDAB C[C@H](Cc1cccs1)NC(=O)c1ccc(CNS(C)(=O)=O)o1 84742671 PELOSPFTTXYMKU-SNVBAGLBSA-N 342.442 1.751 0 40 EDAB O=C(CCn1ccc2ccc(Br)cc21)/N=c1\[nH]cn[nH]1 95474241 RHHSTWLJQHJGJX-UHFFFAOYSA-N 334.177 1.973 0 40 EDAB CN(C)c1ncc(CNC(=O)N[C@](C)(CO)C2CCCCC2)n1C 95410360 DTNAIOVQYZSKBI-QGZVFWFLSA-N 337.468 1.617 0 40 EDAB O=S(=O)(c1cccc(F)c1F)N1CCCC[C@@H]1c1nc[nH]n1 95455695 LSENVJMQRJMQEU-SNVBAGLBSA-N 328.344 1.999 0 40 EDAB O=S(=O)(Cc1ccccc1)N(CCC(F)(F)F)C[C@H](O)CO 84953436 HCZVZUTWZCDSAR-LBPRGKRZSA-N 341.351 1.124 0 40 EDAB CCOC(=O)[C@@](C)(O)CNC(=O)CCCc1ccc(OC)c(F)c1 95942047 NZCQCEQXXPMZOR-KRWDZBQOSA-N 341.379 1.587 0 40 EDAB Cn1cc(NC(=O)CNC(=O)C(C)(C)C)cc(Br)c1=O 89621312 PWTRODHWOFETJB-UHFFFAOYSA-N 344.209 1.249 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 409299491 ZYYVRJIQRXHSBZ-VMUDFCTBSA-N 347.754 1.716 0 40 EDAB O=C1CC[C@H](C(=O)NCCc2cc(Br)ccc2F)N1 68530198 KLCKZYXRNSRGDP-LLVKDONJSA-N 329.169 1.526 0 40 EDAB CC[C@H](C)NC(=O)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35314606 MBODVADVPBAKLQ-LBPRGKRZSA-N 342.447 1.744 0 40 EDAB Cc1cc(C(=O)NC[C@@H]2CCCN([C@H](C)c3nnnn3C)C2)ns1 1023341003 SZHTXEZUSNSEFQ-NEPJUHHUSA-N 349.464 1.178 0 40 EDAB C[C@H]1CN(C(=O)c2ncc3c(F)cccn23)C[C@H]1N1CCOCC1 528694742 GTANTMQBFBTDAZ-SWLSCSKDSA-N 332.379 1.266 0 40 EDAB Cc1cc(NC(=O)CN2CCN(Cc3c(C)noc3C)CC2)n(C)n1 125656498 QSFTXHVBOATFJI-UHFFFAOYSA-N 346.435 1.090 0 40 EDAB COCCc1noc(CN(C)C(=O)Cc2noc3ccccc23)n1 152480873 AYMBJDZVHSAWOF-UHFFFAOYSA-N 330.344 1.601 0 40 EDAB O=c1cc([C@H]2CCN(Cc3ccncc3)C2)nc(N2CCCC2)[nH]1 72394664 ODMMFOBTKVRYEB-HNNXBMFYSA-N 325.416 1.755 0 40 EDAB COC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)P(=O)(OC)OC 2362803219 PDYHCETWPYYUPC-LBPRGKRZSA-N 331.261 1.410 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1[nH]nc(C)c1Br)C2 72279182 ZLQKRCBYXUDMMA-SECBINFHSA-N 338.209 1.730 0 40 EDAB Cc1nc(CCC(=O)NCc2nccn2C)cc([C@H]2CCCNC2)n1 72366882 YOUQIMGXYSYHDI-AWEZNQCLSA-N 342.447 1.235 0 40 EDAB C[C@H](C(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1cccs1 78210610 LFZPNJGMWDNHBG-JTQLQIEISA-N 327.431 1.731 0 40 EDAB Cc1cnc(CCNC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)s1 188940758 AJWCRRQMWQOWCX-LBPRGKRZSA-N 340.493 1.481 0 40 EDAB CC(=O)c1ccc(C)cc1OC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 78442107 NJQSEMBFJPNITR-CYBMUJFWSA-N 339.413 1.775 0 40 EDAB NC(=O)C1(N2CCCCC2)CCN(c2cc(Cl)nc(N)n2)CC1 225207687 OWLONZASXKMLDT-UHFFFAOYSA-N 338.843 1.022 0 40 EDAB NS(=O)(=O)CC1CCN(C(=O)NCc2cc(F)ccc2F)CC1 195504738 BVSHUUVWHUZNPF-UHFFFAOYSA-N 347.387 1.175 0 40 EDAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N(C)C)s1 224491674 IILKMOSRVCBSNV-UHFFFAOYSA-N 326.403 1.349 0 40 EDAB C[C@H](SCC(=O)Nc1ccccc1)C(=O)N1CCC[C@@H](C(N)=O)C1 225691117 HVRHPTZNNBUDMO-QWHCGFSZSA-N 349.456 1.471 0 40 EDAB COc1cncc(O[C@H]2CCN(C(=O)Cc3ccc(F)cc3F)C2)n1 225395407 IANXYKJWLAZHAX-ZDUSSCGKSA-N 349.337 1.986 0 40 EDAB COc1cc2c(cc1OC)S(=O)(=O)N(CCCCCF)C2=O 225440817 AFBZUBVXQGYYMV-UHFFFAOYSA-N 331.365 1.988 0 40 EDAB Cc1nn(C)c2nccc(N3CCC[C@@H](N4CCCS4(=O)=O)C3)c12 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339.461 1.507 0 40 EDAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)Cc1cccs1)C2 96071516 JOJKLYCXDBLOBV-OAHLLOKOSA-N 342.486 1.707 0 40 EDAB CS(=O)(=O)N1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 96226282 CJQMXMYZBMRXAP-HNNXBMFYSA-N 328.409 1.457 0 40 EDAB Cn1cc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)cn1 96199899 HVSJHQNWBJLJBY-INIZCTEOSA-N 325.416 1.453 0 40 EDAB CCS(=O)(=O)CCN1CCN(CCOc2ccccc2)CC1 96411333 BYPTXEAPYRKFCS-UHFFFAOYSA-N 326.462 1.118 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2cncn21 248086826 SREVQJIVPLRLEF-MRXNPFEDSA-N 337.383 1.318 0 40 EDAB O=C(c1ccncn1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 247894953 ZNGHCPAIJAIOCJ-ZDUSSCGKSA-N 328.397 1.651 0 40 EDAB COc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](O)[C@@H]3O)nn2C)cc1 257286385 PLKAQURYSMZFTR-KBRIMQKVSA-N 345.399 1.100 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nccc(CN(C)C)n1 257286644 PMJLRCRSIVRRSF-AWEZNQCLSA-N 341.481 1.262 0 40 EDAB COC(C)(C)C(=O)N1CCOC[C@H](Cc2cn3ccnc3cn2)C1 257287864 PRUPNBHHBRQIFG-CYBMUJFWSA-N 332.404 1.172 0 40 EDAB 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CNC(=O)[C@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCN1C(C)C 257257225 KOQFYQPZRSQJDP-MRXNPFEDSA-N 346.406 1.588 0 40 EDAB CCS(=O)(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 575406267 WLHCYYKJNOLRKN-INIZCTEOSA-N 335.429 1.634 0 40 EDAB CCCCOc1ccc(C=c2sc3n(c2=O)CCN=3)cc1OC 585680321 MGODFNHJSQXEOJ-UHFFFAOYSA-N 332.425 1.559 0 40 EDAB Cc1ncncc1C(=O)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585278856 VZMQPJBIESCPEO-SFHVURJKSA-N 345.374 1.370 0 40 EDAB CC(C)NC(=O)[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@H]2CCO[C@@H]21 585109184 ZDDMSLLKOUULFY-HLLBOEOZSA-N 334.391 1.509 0 40 EDAB CCOC(=O)c1cnc(NCc2ccc(C(=O)OC)cn2)nc1C 585142296 SGQRAWYGSHEIAC-UHFFFAOYSA-N 330.344 1.755 0 40 EDAB CCCN1C[C@@H]2C(=O)NC3(CCN(c4nc(C)cc(C)n4)CC3)[C@H]2C1 585105990 ANXWHWICUBMNMB-HOTGVXAUSA-N 343.475 1.520 0 40 EDAB Cc1cc(N[C@@H]2C[C@H](C(=O)O)C[C@@H]2O)n2nc(C(F)(F)F)nc2n1 662895034 CHGUVWDVMBIDAQ-RNJXMRFFSA-N 345.281 1.088 0 40 EDAB O=C(c1cccnn1)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585277450 WUVONEMBUXVQTN-KRWDZBQOSA-N 331.347 1.062 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@@H]1O 585284989 LAYIFJSEVSFKGP-KYOSRNDESA-N 347.333 1.386 0 40 EDAB Cn1ccnc(NC(=O)NCc2cccc(OC3CC3)c2F)c1=O 585101477 WPEULEMYXSWTHM-UHFFFAOYSA-N 332.335 1.782 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N(C)Cc2ccccc2)on1 46109634 WIDRBLAXQAWCPN-ZDUSSCGKSA-N 336.413 1.945 0 40 EDAB CCc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)s1 55243096 HRTUHKSDIROEIV-LLVKDONJSA-N 349.499 1.651 0 40 EDAB COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCc2ccccc21 65623209 WWWMNVUBRIJAPT-UHFFFAOYSA-N 339.395 1.913 0 40 EDAB CSc1cccc(NC(=O)CN2CCN(c3ncccn3)CC2)c1 57395964 BUBIEWZRBLBOEC-UHFFFAOYSA-N 343.456 1.959 0 40 EDAB C[C@@H](CCc1ccccc1)NC(=O)Cn1cnc2ncccc2c1=O 58325352 YJKDBXMNOIHJSQ-AWEZNQCLSA-N 336.395 1.929 0 40 EDAB O=C(NCCc1cn(Cc2ccc(Cl)cc2)cn1)[C@@H]1CCNC1=O 1558836186 VJIMXFXTTQLYDJ-HNNXBMFYSA-N 346.818 1.380 0 40 EDAB Cn1ccc2c(C(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)cccc21 72269082 CCLCGBROZUVJMS-QZTJIDSGSA-N 327.428 1.850 0 40 EDAB 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COCC(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 12326260 KIJCSEWYWZKMNI-KDOFPFPSSA-N 332.400 1.654 0 40 EDAB Cc1cc(-c2cnc(C)nc2CN(C)C(=O)CN2CCCC2=O)on1 19123465 MXXZMLZWRMGWKG-UHFFFAOYSA-N 343.387 1.329 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@H]21 19526791 GBRAYANSGPYTCE-WZTLGTBRSA-N 348.374 1.413 0 40 EDAB Cc1ncncc1C(=O)N1CCO[C@](C)(C(=O)NC2CCCC2)C1 19746955 ULCZFHLSWMRVPQ-KRWDZBQOSA-N 332.404 1.075 0 40 EDAB CC(C)C[C@H](C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C)N1CCCCC1=O 205388829 LCTJCNUZOALPNV-RTYDYXAVSA-N 342.505 1.782 0 40 EDAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)n1 6422412 ZJFKVTCJMHSHOU-UKTHLTGXSA-N 347.396 1.285 0 40 EDAB COc1cn(CC(=O)NC(C)C)c(CN2CCC(C)CC2)cc1=O 17245928 IMOXNOYJUBMELT-UHFFFAOYSA-N 335.448 1.613 0 40 EDAB O=C(NCCCCO)[C@@H]1CN(Cc2ccccc2)C[C@@]12CCOC2 585122128 OFDDMGLPHBFXBY-PKOBYXMFSA-N 332.444 1.414 0 40 EDAB Cc1nc(N2C[C@@H]3CN(c4ncncc4F)C[C@H]3C2)nc(O)c1F 1888855761 HERCGQYOJWYBAQ-UWVGGRQHSA-N 334.330 1.131 0 40 EDAB Cn1nc2c(c1CN1CCO[C@H](C(=O)N3CCCC3)C1)CCCC2 1889101126 UHXWRTMQDNKQGK-KRWDZBQOSA-N 332.448 1.122 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NCC1(OCCO)CCCC1 888107126 PFMCMTJHHGCPRI-UHFFFAOYSA-N 347.408 1.434 0 40 EDAB COC(=O)C1CN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)C1 240178538 YZKTVQPNZFFNKC-LLVKDONJSA-N 340.763 1.148 0 40 EDAB CC(C)N1C[C@]2(COCC1=O)CN(CCc1ccccc1)CCO2 2037981063 SPEMMHQUGWUEQD-IBGZPJMESA-N 332.444 1.567 0 40 EDAB Cc1ncc(C(=O)N2CC3(C[C@@H](N4CCCCC4)CS3)C2)cn1 2056224451 QYQKLVFYCNEIDW-OAHLLOKOSA-N 332.473 1.971 0 40 EDAB COCCN[C@H]1CSC2(C1)CN(C(=O)c1noc(C)c1C)C2 2056224820 XNFAAMJPDHWPBV-GFCCVEGCSA-N 325.434 1.228 0 40 EDAB CN(C)[C@@H]1CCOC2(CCN(C(=O)c3ncc(Cl)cn3)CC2)C1 1614933146 GNLDZIGOERFZBJ-CYBMUJFWSA-N 338.839 1.845 0 40 EDAB O=C1CCc2cc(S(=O)(=O)NCc3cccnc3)cc3c2N1CC3 5153525 VPWWDBYVYBYOHG-UHFFFAOYSA-N 343.408 1.395 0 40 EDAB CCCC[C@@H](Sc1nc(=O)[nH]c(C)c1C(=O)OCC)C(=O)O 5251659 QMGIFDMMARWGIX-SECBINFHSA-N 328.390 1.991 0 40 EDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 16847980 FAGCOHQDYQBTNR-ZDUSSCGKSA-N 340.401 1.226 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2CN(C(=O)CCc3ccccc3F)C[C@@H]21 2055771854 FEIFIOPXWILMEN-HIFRSBDPSA-N 340.420 1.251 0 40 EDAB CSc1ncccc1C(=O)N1CC[C@H](N2C(=O)CSC2=O)C1 206977755 JUHSLGWWEZCJTO-VIFPVBQESA-N 337.426 1.713 0 40 EDAB COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(NC(C)=O)cc2)C1 217562316 BKRNNUDPDYMIBL-CQSZACIVSA-N 336.413 1.766 0 40 EDAB O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@@H](Oc2ccncn2)C1 575612055 IRTSMLJOEVIPDV-GFCCVEGCSA-N 341.339 1.597 0 40 EDAB Cn1cccc(C(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)c1=O 245131225 VJSXRQNEPCRZCR-INIZCTEOSA-N 325.368 1.340 0 40 EDAB O=C1NCCC[C@H]1N1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1 2298187880 DAKDDGNPHKMXTJ-QWHCGFSZSA-N 329.391 1.235 0 40 EDAB NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 5653031 WZNHYKMKYGTCAW-UHFFFAOYSA-N 330.362 1.274 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 31402428 RQNYHMMWLZTJGF-NEPJUHHUSA-N 348.353 1.719 0 40 EDAB Cc1ccc(CC(=O)N2CCN(CC(=O)N[C@H](C)C3CC3)CC2)cc1 69384353 ZUHKCUVMBRPCES-MRXNPFEDSA-N 343.471 1.596 0 40 EDAB c1csc(-c2noc(CN3CCO[C@@H](Cn4cccn4)C3)n2)c1 69376832 GOWPOWMPVCLRQQ-GFCCVEGCSA-N 331.401 1.896 0 40 EDAB CN(C[C@H]1CN(Cc2nnsc2Cl)CCO1)c1cccnn1 83859283 XOOIAPBBVSSHRK-JTQLQIEISA-N 340.840 1.319 0 40 EDAB CC1(C)NC(=O)N(CCCN2CCO[C@@H](c3ccc(F)cc3)C2)C1=O 40515883 OTFDFXLGRJTOJC-OAHLLOKOSA-N 349.406 1.920 0 40 EDAB CN(Cc1cc(Br)cs1)C(=O)c1ccc(=O)[nH]n1 40541086 HROWCJQLFWDTDJ-UHFFFAOYSA-N 328.191 1.866 0 40 EDAB COc1ncccc1C(=O)NC[C@]1(N2CCOCC2)CCSC1 31936623 UWOWIKHQTYKKEG-MRXNPFEDSA-N 337.445 1.028 0 40 EDAB O=C(O[C@H]1CCCN(CO)C1)C(O)(c1ccccc1)c1ccccc1 1693012 ZSUSDUDUJIQWJP-SFHVURJKSA-N 341.407 1.880 0 40 EDAB O=C(CNC(=O)c1ccccc1)O[C@@H](Cc1ccccc1)C(=O)O 2560747 RVHGIEOTQNCGFG-HNNXBMFYSA-N 327.336 1.656 0 40 EDAB COc1ccccc1COC[C@@H](O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 58016659 VZMRGJQRKIUMBD-HRCADAONSA-N 345.395 1.524 0 40 EDAB Cc1nc(C(=O)N2CCC[C@@H](C(N)=O)C2)nn1-c1ccccc1Cl 69454925 XOUCKPJIBAMUNI-LLVKDONJSA-N 347.806 1.567 0 40 EDAB O=C(NCCc1ccccc1F)C1=NN(c2ccccc2)C(=O)CN1 32701912 LCBSCBUOULGQQB-UHFFFAOYSA-N 340.358 1.434 0 40 EDAB CCn1c(SCC(=O)Nc2cc(C)on2)nc2ncccc2c1=O 32876503 PNKXWUHLGBMTBC-UHFFFAOYSA-N 345.384 1.839 0 40 EDAB CCOc1ccc(C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1OC 32903394 AKEBHIQDJVBEOF-CYBMUJFWSA-N 341.429 1.743 0 40 EDAB CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCCCc3ccccc32)C1=O 69442570 QALAGZIAUFQOPX-CQSZACIVSA-N 329.400 1.901 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)c1cccc(S(C)(=O)=O)c1 21937457 UWKCKOPNPXPUQC-UHFFFAOYSA-N 326.418 1.077 0 40 EDAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)c1ccccc1 12252228 LLKUVAQOOVPZNH-BEFAXECRSA-N 338.363 1.950 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@@H](c2ccccc2Cl)N1 12345529 XIQAYEHIMANYLW-ZUZCIYMTSA-N 347.802 1.969 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCN(Cc2noc(C3CC3)n2)CC1 53608804 SUKGWTLDXKULRA-UHFFFAOYSA-N 344.390 1.973 0 40 EDAB Cn1ncnc1NS(=O)(=O)c1c(F)cccc1Br 89741209 SZSMLJROMHPTPQ-UHFFFAOYSA-N 335.158 1.518 0 40 EDAB O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3nc[nH]c23)CC1 47509913 RFSBBBSLQGARJK-UHFFFAOYSA-N 335.371 1.837 0 40 EDAB O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc(O)nn1 54590419 IYYORMIVKMJSHP-UHFFFAOYSA-N 335.367 1.787 0 40 EDAB O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1cn(Cc2ccccc2)nn1 43056600 LBXMIIBNUIQFMR-INIZCTEOSA-N 349.394 1.822 0 40 EDAB CC(=O)N1CCN(C(=O)COc2ccc(Cl)c3cccnc23)CC1 55148648 HEXKNXLDMQTTBK-UHFFFAOYSA-N 347.802 1.958 0 40 EDAB O=C(NCCNC(=O)C1CCN(CC(F)(F)F)CC1)c1ccoc1 55394249 OTBVVCIYBMERGR-UHFFFAOYSA-N 347.337 1.400 0 40 EDAB CCCCCNC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 17322666 HGYHOWNNZCPYQR-UHFFFAOYSA-N 331.416 1.850 0 40 EDAB Cn1cc([C@H]2CCCN2C[C@@H](O)COc2ccc3c(c2)OCO3)cn1 106837273 WFKYGAZRJYGEDM-GDBMZVCRSA-N 345.399 1.726 0 40 EDAB COc1ccc(OC[C@@H](O)CN2CCN(c3ncccn3)CC2)cc1 25229605 YYFARQJUKVPNNQ-HNNXBMFYSA-N 344.415 1.047 0 40 EDAB C[C@H]1CN(Cc2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)CCO1 25212537 NUXVYDVWLHRGIJ-HNNXBMFYSA-N 342.443 1.913 0 40 EDAB CN1CCN(c2cc(N3CCC[C@H]3CO)ncn2)Cc2ccccc21 106929016 MBBLNEUJPJYYRK-INIZCTEOSA-N 339.443 1.894 0 40 EDAB Cc1ccc(C(=O)N2CCN(CC(=O)NCc3ccco3)CC2)s1 55931520 RPVQRAZNPMFTRI-UHFFFAOYSA-N 347.440 1.724 0 40 EDAB COc1cc(N2C[C@@H](C(=O)NC(C)C)CC2=O)cc(OC)c1OC 43728946 HFXOHTGDEQBIHP-NSHDSACASA-N 336.388 1.590 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cncn1)NCC1(c2ccccc2)CC1 69601400 SPEVHZYBNNHLJA-KRWDZBQOSA-N 339.443 1.591 0 40 EDAB Cc1nc(C)c(C(=O)NCCNC(=O)COc2ccccc2)s1 26003321 ISRHUNUORKJYIQ-UHFFFAOYSA-N 333.413 1.685 0 40 EDAB Cc1nnc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)s1 35598212 DLNDFDDAGSAVHX-LLVKDONJSA-N 345.384 1.316 0 40 EDAB Cc1ccc(C(=O)Nc2ccnc3ccnn23)cc1S(C)(=O)=O 108719780 NZJNZIDTERWXOY-UHFFFAOYSA-N 330.369 1.694 0 40 EDAB COC(=O)c1cc(NC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 44544092 PLNLQRWEGSHNHQ-MRVPVSSYSA-N 331.777 1.500 0 40 EDAB CS(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 57932669 PNEYSJNKEIJTEC-UHFFFAOYSA-N 328.397 1.984 0 40 EDAB O=C(NCc1ccc2c(c1)OCCO2)c1ccnc(-n2ccnc2)c1 58036644 RXTSICUSJSKOQM-UHFFFAOYSA-N 336.351 1.969 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)NCc1ccc2c(c1)OCCO2 10031878 PPRNZBLFJQJDAY-UHFFFAOYSA-N 347.392 1.791 0 40 EDAB C[C@@H](CCc1ccccc1)CC(=O)N1CCC2(CC1)NC(=O)NC2=O 58223225 QHVOVZUZXKMYRI-AWEZNQCLSA-N 343.427 1.846 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)NCCS(C)(=O)=O)cc1 58241743 LCHVUKJEYOBWHH-AWEZNQCLSA-N 326.418 1.586 0 40 EDAB COc1ccc(C)cc1CN1CCN(Cc2nnnn2C2CC2)CC1 44907435 IXQBOEDFTIDTGQ-UHFFFAOYSA-N 342.447 1.643 0 40 EDAB COCCn1cc(NC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)cn1 44969970 GURGKRQXKVZJHE-CQSZACIVSA-N 340.330 1.663 0 40 EDAB C[C@H]1CN(CCNC(=O)N(C)Cc2ccc3c(c2)OCO3)C[C@@H](C)O1 44967500 AHBIXIZNYCGQQR-OKILXGFUSA-N 349.431 1.666 0 40 EDAB O=C(NCCCN1CCOCC1)c1cnn(-c2ccccc2Cl)c1 58394257 GEMVIELNEZCDHS-UHFFFAOYSA-N 348.834 1.978 0 40 EDAB CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc(=O)n(C)n1 58354820 CPFRCKOCGUZJCR-UHFFFAOYSA-N 342.443 1.417 0 40 EDAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)cc1 3312097 VVMQLIHDLRWTOA-UHFFFAOYSA-N 333.731 1.629 0 40 EDAB Cc1cc(C)nc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1 36379515 LJFHPWWVZJYXEL-UHFFFAOYSA-N 339.443 1.532 0 40 EDAB O=C(CCCc1nc2ccccc2o1)NC[C@H]1CCS(=O)(=O)C1 48231903 XOESAMAEJQHAQB-GFCCVEGCSA-N 336.413 1.701 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)C2CC2)cc1 48303140 KNRVRNVKGAZZGQ-UHFFFAOYSA-N 345.424 1.795 0 40 EDAB COCCNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3477571 WYJLLBUDTOTDNX-UHFFFAOYSA-N 338.385 1.134 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 69569762 SIHXVYBJNIVQPC-VHSXEESVSA-N 346.836 1.961 0 40 EDAB CCOC(=O)c1[nH]c(C)c(C(=O)NCc2nnc3ccccn23)c1C 24069103 SBECAYLTYIOIMP-UHFFFAOYSA-N 341.371 1.781 0 40 EDAB CCc1nc(CN2CCC[C@@H](N[C@H](C(N)=O)c3ccccc3)C2)no1 69740414 NPBMTULPLSGBJY-PBHICJAKSA-N 343.431 1.413 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N(CCc1ccccc1)C1CCCC1 63668365 UKRWZCCCZHGRKH-UHFFFAOYSA-N 345.443 1.253 0 40 EDAB COc1ccc(N(C(=O)C2CC2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 4165534 NYKIKUQLSUUDAD-GFCCVEGCSA-N 337.397 1.758 0 40 EDAB CCS(=O)(=O)N[C@H]1CCN(c2ccccc2Br)C1 69841746 AKMSEIMKUHDARV-JTQLQIEISA-N 333.251 1.967 0 40 EDAB Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@@H]2CCOC2)cs1 49731424 FQYMXSLHPQXGLX-NSHDSACASA-N 349.412 1.992 0 40 EDAB C[C@H](C(=O)Nc1ccccc1C(N)=O)N1C(=O)c2ccccc2C1=O 6183417 MNIJCMFJTVWRAR-SNVBAGLBSA-N 337.335 1.409 0 40 EDAB COc1ccc(NC(=O)COC(=O)CNC(=O)c2ccco2)cc1 6101432 ZYSOWYSLNWSHMF-UHFFFAOYSA-N 332.312 1.200 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)NCc1cccc(F)c1 69065232 REGBSEQGLFJFNI-UHFFFAOYSA-N 343.424 1.344 0 40 EDAB COc1ccc(OC)c(CCC(=O)N2CCN(C[C@@H](C)O)CC2)c1 69980818 FFWISSQTVLZBEN-CQSZACIVSA-N 336.432 1.161 0 40 EDAB CN1CCN(C(=O)NCc2nnc3n2CCC3)[C@@H](c2ccccc2)C1 65390706 UTUTYNFHFWCSBS-OAHLLOKOSA-N 340.431 1.423 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)CC2 65465902 MZOJTVAYYSZLEO-LLVKDONJSA-N 332.408 1.331 0 40 EDAB Nc1nc(SCC(=O)Nc2ccccc2Br)n[nH]1 6438532 DFJMTIOQOWFTGU-UHFFFAOYSA-N 328.195 1.880 0 40 EDAB COc1cccc(CNS(=O)(=O)Cc2ccc(F)cc2F)n1 96001956 KVHNUPHWFLQWEU-UHFFFAOYSA-N 328.340 1.988 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)CCC2=O)ccc1Br 5870926 RQISFQDECZPLRY-UHFFFAOYSA-N 325.162 1.845 0 40 EDAB NS(=O)(=O)CCNC(=O)c1csc(-c2ccccc2Cl)n1 67153300 NXCZSXXWMJUKSJ-UHFFFAOYSA-N 345.833 1.482 0 40 EDAB C[C@H](C(=O)Nc1cccc(C(N)=O)c1)N1C(=O)c2ccccc2C1=O 15566162 FWAGXPLFYMDJTF-SNVBAGLBSA-N 337.335 1.409 0 40 EDAB CC(C)Cc1cc(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)nc(N)n1 67856501 VWUJFPQBKDYIOM-GOSISDBHSA-N 345.447 1.342 0 40 EDAB Cc1cc(C)n(CC(=O)NCC(C)(C)N2CCC(N(C)C)CC2)n1 68499983 PLJJRQMDJAGWBW-UHFFFAOYSA-N 335.496 1.421 0 40 EDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)c1 71283317 VAUSJLINPGNTHL-NWDGAFQWSA-N 349.339 1.555 0 40 EDAB CC(=O)c1cccc(NC(=O)Cn2c(-c3cccnc3)noc2=O)c1 68920547 LTHYRCBUWHKRDF-UHFFFAOYSA-N 338.323 1.740 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 8183616 RNNNZCIKWFGZRT-UHFFFAOYSA-N 334.401 1.720 0 40 EDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 8167719 FRKQXLNMMVWLIC-UHFFFAOYSA-N 344.433 1.193 0 40 EDAB Cn1cc(CCCNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1 69107879 XDHSHAXIIPKJFS-INIZCTEOSA-N 341.415 1.457 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1 70021265 KVCDZHVEAMRLMC-GOSISDBHSA-N 347.459 1.052 0 40 EDAB COCCOc1ccccc1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 83911879 WJDHKXWYAATGHV-SJORKVTESA-N 348.443 1.383 0 40 EDAB CCc1nc(CC(=O)N2CCc3nnc(N(C)C)cc3C2)cs1 71860223 GGUZLYRBXAUWLJ-UHFFFAOYSA-N 331.445 1.689 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)CCc2ccc(Br)cc2F)C1 71841946 OPKRRUGOPBCCSX-JTQLQIEISA-N 343.196 1.855 0 40 EDAB CC(C)COC1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1 71820073 HBCHELZULUAYEF-UHFFFAOYSA-N 331.416 1.993 0 40 EDAB C[C@H](O)CN1CCN(CCCc2nc(-c3cccs3)no2)CC1 71877423 KCRNBNJFCAECKJ-ZDUSSCGKSA-N 336.461 1.729 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCN1Cn1nc2c(cc1=O)CCC2 71896885 HPYHQQQLBFGDDN-MRXNPFEDSA-N 338.455 1.896 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@H]1CSc3ccccc3O1)C2 71864855 ZFKZFSAYQJRLGQ-GFCCVEGCSA-N 330.413 1.736 0 40 EDAB NC(=O)C1(CNC(=O)CCCc2nc3ccccc3o2)CCOCC1 71811815 QUNZFZGVTVQFRJ-UHFFFAOYSA-N 345.399 1.549 0 40 EDAB C1C[C@H](NCc2nc(C3CC3)no2)CN(Cc2noc(C3CC3)n2)C1 72234615 MRUQEBHGQDIQCD-ZDUSSCGKSA-N 344.419 1.962 0 40 EDAB Nc1cc2c(nn1)CCN(C(=O)C[C@@H]1OCCc3sccc31)C2 72279508 YWXNACIGRXBXIE-ZDUSSCGKSA-N 330.413 1.709 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1cnn(CCN2CCCCC2)c1 72284659 HYEUTMRFFYLDHJ-MRXNPFEDSA-N 342.447 1.310 0 40 EDAB O=C1NC[C@@H](C(=O)N[C@H](COc2ccccc2F)c2ccccc2)N1 89826388 JNZQWOAJYZDEBE-LSDHHAIUSA-N 343.358 1.743 0 40 EDAB CC(C)Oc1ccc([C@@H](C)NC(=O)Cn2[nH]c(=O)ccc2=O)cc1 89888012 XRGPVMXFZSHGCN-GFCCVEGCSA-N 331.372 1.201 0 40 EDAB CCCCn1c(SC[C@H]2CCCN(S(C)(=O)=O)C2)n[nH]c1=O 72312945 DACIZIAESJYMHF-NSHDSACASA-N 348.494 1.135 0 40 EDAB CCN1CCCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 89977247 FUZYQNMRPPSNRB-SFHVURJKSA-N 332.492 1.897 0 40 EDAB COc1ncnc2c1CN([C@@H](C)c1nnnn1-c1ccccc1)CC2 97201829 HNLHDDHLKGADOI-LBPRGKRZSA-N 337.387 1.580 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 75606516 YUKNHROLGMXYMC-DLBZAZTESA-N 332.444 1.604 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)n1 75602704 VAIIRNGQQOGTNI-JKSUJKDBSA-N 345.447 1.317 0 40 EDAB Cc1noc(COC(=O)c2ccc(N3CCN(C)CC3)c(F)c2)n1 72668379 RDURQLLMOCBKLX-UHFFFAOYSA-N 334.351 1.626 0 40 EDAB CC(=O)N1CCN([C@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]2C)CC1 76055609 ZOQHPCLSMIIJBF-UGSOOPFHSA-N 337.414 1.949 0 40 EDAB Cc1nc(N)nc(N2CCN[C@H](c3ccccc3)C2)c1CCC(=O)O 95370311 WAWBAKRAVHIQJC-HNNXBMFYSA-N 341.415 1.535 0 40 EDAB Cc1noc(COCC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)n1 95397175 SRSVVDGFGVGZLN-LBPRGKRZSA-N 332.404 1.708 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)C[C@H]1N(C)C 76055941 QRHACAKQIKEPIV-JXFSHQFZSA-N 335.473 1.676 0 40 EDAB C[C@@H](CC(=O)N(C)C)NCC(=O)Nc1ccc(Br)cc1 95421094 GPLYIHBRPPZMIV-JTQLQIEISA-N 342.237 1.844 0 40 EDAB CN(C)CCCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95475506 WNWIZDCQFSOYQH-LLVKDONJSA-N 347.394 1.123 0 40 EDAB CCN(CC)C(=O)C[C@H](C)NCC(=O)NCc1ccc(OC)cc1 95421102 HJHAHSDTXGLYGG-AWEZNQCLSA-N 335.448 1.548 0 40 EDAB CN1CCO[C@@H](CN(C(=O)COc2ccccc2)c2nccs2)C1 95402112 CJOKGOZBRXGMBV-OAHLLOKOSA-N 347.440 1.886 0 40 EDAB O=C(NCc1nnc2n1CCC2)N1CCC(Cc2cccnc2)CC1 95457423 DBMUHTKLVMYCGF-UHFFFAOYSA-N 340.431 1.784 0 40 EDAB CCc1cc(NC(=O)C(=O)N(C)CCc2ccccc2F)n(C)n1 77762077 DVZCJPIYGOQCPY-UHFFFAOYSA-N 332.379 1.761 0 40 EDAB CCc1nnc2ccc(N3CCCN(c4nc(C)ns4)CC3)nn12 78557792 CYUHGJLSBNGPJV-UHFFFAOYSA-N 344.448 1.563 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(CC(=O)Nc3ccncc3)CCO2)n1 78879701 OQOSPAFPTRNBLS-CYBMUJFWSA-N 330.392 1.335 0 40 EDAB Cc1nnc(CN(C)[C@@H]2CCN(Cc3nc4ccccc4n3C)C2)o1 78891280 OZZZQUQRKMJXFO-CQSZACIVSA-N 340.431 1.971 0 40 EDAB Cc1n[nH]c([C@H]2CN([C@@H](C)C(=O)NCCC3=CCCCC3)CCO2)n1 78879687 FJUGDXLACMWMJA-XJKSGUPXSA-N 347.463 1.882 0 40 EDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(C)Cc1cnn(C)c1 95939202 OPCQZLFHBSHVBP-GOSISDBHSA-N 340.427 1.915 0 40 EDAB C[C@H]1CN(c2ccccc2CNC2CCN(C(N)=O)CC2)C[C@@H](C)O1 88722276 NWLPQTAUJJMZRY-GASCZTMLSA-N 346.475 1.933 0 40 EDAB Cc1ccc(C(=O)NC[C@@H](O)CO[C@@H](C)c2ccccc2)c(=O)[nH]1 75123932 IKBHOAFUIWAERF-DZGCQCFKSA-N 330.384 1.552 0 40 EDAB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCc2c(ncn2C)C1 75133169 FPFFZOQFRMNFRW-HIFRSBDPSA-N 340.427 1.807 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(N(C)C)nn1 75131720 ZREJAYVFZDONFC-AWEZNQCLSA-N 328.420 1.870 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Br)cc2F)C[C@@H](C(N)=O)O1 79106965 OTYYNMJICQFACL-HQJQHLMTSA-N 345.168 1.303 0 40 EDAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)N1CCNC1=O 24905987 KTUARZMBLPDGSG-UHFFFAOYSA-N 334.347 1.733 0 40 EDAB Cn1c(=O)n(C)c2cc(NC(=O)CSc3nccc(O)n3)ccc21 408542103 GSJSLQSYQSEVMG-UHFFFAOYSA-N 345.384 1.103 0 40 EDAB CCN(CC)C[C@@H]1CN(c2ccc3nncn3n2)Cc2ccnn21 306138498 RYXCMYWOTDOKEL-CQSZACIVSA-N 326.408 1.224 0 40 EDAB COC(=O)C1(CNC(=O)[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)CC1 521396255 CWSCYVBJKXHGQF-TUAOUCFPSA-N 338.404 1.311 0 40 EDAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(CO)C=C[C@@]2(C)O1 408975563 NCAYHYXERLHWRB-GFOFROLCSA-N 333.771 1.844 0 40 EDAB CC(C)c1nnc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)s1 530103464 UUYSKXWPOFUCNP-UHFFFAOYSA-N 346.334 1.989 0 40 EDAB CCNC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327656 RRQBFCZFRZMXFV-DJJJIMSYSA-N 344.411 1.928 0 40 EDAB CC(C)NC(=O)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 77266264 GWOSWVYKJQNRNA-OAHLLOKOSA-N 334.395 1.866 0 40 EDAB biogenic,in-vitro CC(=O)N1CC[C@]1(CCCc1cccc(Br)n1)C(N)=O 72365936 GJICXRSBYRRRFT-CQSZACIVSA-N 340.221 1.643 0 40 EDAB C[C@@H](CN(C)C(=O)Cc1ccc(Br)s1)c1nnn[nH]1 187313951 BTADNJVLGQPUMU-ZETCQYMHSA-N 344.238 1.828 0 40 EDAB COc1cccc(/C=C2/SC(=S)N([C@H](CO)C(=O)O)C2=O)c1 35648416 GSCKWTWDAGOGEO-VUUNSECVSA-N 339.394 1.342 0 40 EDAB COc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 78611860 AAUFFOPBOJIAJZ-CYBMUJFWSA-N 331.416 1.767 0 40 EDAB CCOC(=O)[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC 218414659 AWWJMCMDZGGYOW-DYEKYZERSA-N 331.821 1.501 0 40 EDAB CCCNc1ccc(S(=O)(=O)NCCCOC)cc1C(=O)O 217599604 HBPPKRGZMOKSPT-UHFFFAOYSA-N 330.406 1.522 0 40 EDAB NC(=O)[C@@H]1CCCN1C(=O)CCCOc1ccc2c(c1)CCC(=O)N2 79046957 KWVBTVCMVBHIPV-HNNXBMFYSA-N 345.399 1.207 0 40 EDAB CC(=O)NC[C@@H]1CN([C@H](C(=O)O)c2cccc(Cl)c2)CCO1 566360425 ZKSXQWXSDGZREV-KGLIPLIRSA-N 326.780 1.303 0 40 EDAB O=C(NCc1nc(C2CC2)n[nH]1)N[C@H]1CCN(c2ncccc2F)C1 562666430 VWXLFFDMRYUKIP-NSHDSACASA-N 345.382 1.294 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)CO[C@@H]3CCCC[C@@H]3C)CCO2)n1 83829899 ALIORXKOZJRDTI-MJBXVCDLSA-N 336.436 1.862 0 40 EDAB NS(=O)(=O)c1ccccc1N1CCN(CCc2ccncc2)CC1 190320202 VQPLYLNILYLIIE-UHFFFAOYSA-N 346.456 1.094 0 40 EDAB CN(CC(=O)NCc1ccccc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 81097091 PTICWOPDEFABMG-CVEARBPZSA-N 338.473 1.590 0 40 EDAB CN1CCO[C@@H](C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)C1 195535928 QAGZDAVAYIUMSQ-QZTJIDSGSA-N 332.444 1.567 0 40 EDAB C[C@H](NC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1)c1ccccc1 85470923 KSNHPOKPPDUGQC-AWEZNQCLSA-N 340.427 1.874 0 40 EDAB Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccccc2F)n1 224176784 JNEOMVLTMYKVPP-UHFFFAOYSA-N 330.363 1.691 0 40 EDAB C[C@](NC(=O)c1cnccn1)(C(N)=O)c1cccc(C(F)(F)F)c1 96454534 XQWCVPPYYRACAG-CQSZACIVSA-N 338.289 1.626 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3CCN(Cc4cccnc4)C(=O)[C@H]3C2)[nH]n1 96249072 KHBSBSXYWHYWMG-GJZGRUSLSA-N 339.399 1.234 0 40 EDAB N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)CC(F)(F)F)CC1 96481223 YFEBVXBEJMPJBB-ZDUSSCGKSA-N 343.349 1.180 0 40 EDAB O=C(c1cccnc1)N1CC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96072815 FHLJXLLMLUAWPR-RHSMWYFYSA-N 343.362 1.496 0 40 EDAB COCCn1ccc(NC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)n1 96434481 MONWFMLZKCWKQP-LLVKDONJSA-N 334.424 1.633 0 40 EDAB Cc1noc(C)c1CN1C[C@H](OCC(=O)N(C)C)[C@H]2OCCC[C@H]21 96187053 YMIXDQPCUZOLRP-VYDXJSESSA-N 337.420 1.128 0 40 EDAB Cc1ccc(NCc2cnc3n2CCN(C(=O)CC2CC2)CC3)nn1 96197137 PKBXYNVCHGFIQJ-UHFFFAOYSA-N 340.431 1.778 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@]2(CCCN(c3nncs3)C2)C1 96226632 LYMYPFDEJVZJOD-MRXNPFEDSA-N 347.444 1.388 0 40 EDAB CC(C)C(=O)N1CCN(Cc2ccsc2)C[C@]2(CC(=O)N(C)C2)C1 96036050 XWVPZAITTFDNML-GOSISDBHSA-N 349.500 1.897 0 40 EDAB c1ccc(CCNC[C@@H]2Cn3nnc(-c4cncnc4)c3CO2)cc1 96199265 ZLKCPZPFDZSZKE-MRXNPFEDSA-N 336.399 1.466 0 40 EDAB O=C(NCC[C@H](O)C(F)(F)F)[C@H]1CN(Cc2ccccc2)CCO1 96420853 JRDDFIHMAXGCJY-KGLIPLIRSA-N 346.349 1.317 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4conc4C)C[C@@H]3C2=O)cs1 96245128 LJKOJXWFKTYWEN-YPMHNXCESA-N 346.412 1.479 0 40 EDAB COCCNC(=O)CN1C(=O)c2ccccc2Oc2ncccc21 96118872 YPBUDYCKXVTQOP-UHFFFAOYSA-N 327.340 1.597 0 40 EDAB CN1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@H]1c1ccc(F)c(F)c1 95449225 MCPRXUOZVXWPJQ-NVXWUHKLSA-N 347.365 1.839 0 40 EDAB O=C(NCc1cncc2c1CCN([C@H]1CCOC1)C2)c1ccco1 96067428 DNPWHCZEQLADHE-HNNXBMFYSA-N 327.384 1.752 0 40 EDAB CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc3c(c1)OCO3)CC2 97198685 BIPZJRXNUHAQRI-GFCCVEGCSA-N 328.372 1.875 0 40 EDAB O=C1CO[C@]2(COCCN(Cc3ccco3)C2)CN1c1ccccn1 96078359 AKRMUYBMWVZKEP-SFHVURJKSA-N 343.383 1.309 0 40 EDAB C[C@@H]1c2ncc(CNC(=O)c3ccno3)n2CCN1C[C@@H]1CCOC1 96201316 FGKKPEVYPJWIAQ-OLZOCXBDSA-N 345.403 1.214 0 40 EDAB CC(=O)N1CCO[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2C1 96249864 GSIUHVLZDDASJT-QZTJIDSGSA-N 330.428 1.715 0 40 EDAB O=S(=O)(NC[C@@H]1CN(CC2CCCC2)Cc2ccnn21)C1CC1 247319844 LHGODIREACIOPY-OAHLLOKOSA-N 338.477 1.512 0 40 EDAB CC(=O)NCc1cnc(CC2CCN(Cc3c[nH]cn3)CC2)cn1 257241464 HYCMNOSMJWJTIA-UHFFFAOYSA-N 328.420 1.291 0 40 EDAB CN1CC[C@H](C(=O)Nc2ccc3nc(Cl)sc3c2)S1(=O)=O 585089669 ZMYMOTCVXBVEIQ-SNVBAGLBSA-N 345.833 1.922 0 40 EDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1cc2nc(Cl)ncc2s1 585141603 DJXDMDARVZIRGZ-LURJTMIESA-N 348.837 1.148 0 40 EDAB COCCN1CCC(Cc2nccnc2N2C[C@@H](C)OC2=O)CC1 257304791 SNDVHKYGXSADEF-CYBMUJFWSA-N 334.420 1.723 0 40 EDAB CN(C)[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1O 257233012 GNJSPMGFHSHPFI-OALUTQOASA-N 327.428 1.767 0 40 EDAB CC(C)OC(=O)N1CC[C@@H](S(=O)(=O)c2ccc(C(N)=O)cc2)C1 521824924 WEVRBPZPLDZEPU-CYBMUJFWSA-N 340.401 1.179 0 40 EDAB COCc1c(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)noc1C 257253409 JYVWPNSQSVYWOM-GFCCVEGCSA-N 346.387 1.743 0 40 EDAB COC[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1)c1ccc(C)o1 252487048 HRDPXBNKVAJRQU-YRGRVCCFSA-N 340.376 1.247 0 40 EDAB O=C(Cn1ccnc1)N1CCCC[C@H]1c1cc(O)n2nccc2n1 257250070 JKWCGMGNNRKCLZ-ZDUSSCGKSA-N 326.360 1.385 0 40 EDAB COCCCNC(=O)CCCn1cc(COc2ccccc2)nn1 252489945 KFNRQMKKKBGZDI-UHFFFAOYSA-N 332.404 1.790 0 40 EDAB COCc1c(C(=O)N2CCCC[C@H]3CN(C(C)=O)CC[C@H]32)noc1C 257287550 PQKUYGORKGENRL-GOEBONIOSA-N 349.431 1.993 0 40 EDAB Cc1cncc(C(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)c1 257305546 SQMNJSYZWLUKTR-SFHVURJKSA-N 341.415 1.284 0 40 EDAB COC[C@@]1(C(=O)O)CCCN(C(=O)Cc2cccc3nsnc23)C1 1615587503 FUUREXMGVNSNCS-MRXNPFEDSA-N 349.412 1.574 0 40 EDAB CC(=O)NC[C@@H]1CN(c2nc(C)nc(C)c2F)C[C@H]1c1cncn1C 1615547963 GZBBYJVSBJXCKP-ZIAGYGMSSA-N 346.410 1.322 0 40 EDAB COC(=O)[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)Cc2ccccc21 599505520 RDIXRFRVXRTCFD-IUODEOHRSA-N 338.429 1.345 0 40 EDAB C[C@H]1C(=O)N(C)CN1c1cc(I)cc(F)n1 1616182514 WYNIJGZXAHMBGA-LURJTMIESA-N 335.120 1.450 0 40 EDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)C3CCOCC3)CCO2)cc1 585276317 GGNCMPIXUIVKOY-IBGZPJMESA-N 333.428 1.554 0 40 EDAB O=C(CN1CC[C@H](Cc2ccccc2)[C@H](O)C1)Nc1ccccn1 585279862 RDKFFUAGJLHPTF-IAGOWNOFSA-N 325.412 1.946 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)c1cccc2cccnc12 585279031 RZVZFZHQGAVKQI-SFHVURJKSA-N 327.384 1.731 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)c1ccc(C(=O)O)nc1)C1CCOCC1 671626934 WYUUBQOIOUNJLV-AWEZNQCLSA-N 344.371 1.411 0 40 EDAB Cc1cnn(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 56278518 DSAYZJBEZJOPDH-UHFFFAOYSA-N 342.447 1.762 0 40 EDAB Cc1ccc(CNC(=O)Cc2csc(N3CCCC3=O)n2)cn1 49200847 DTUOWVWIMQGTLL-UHFFFAOYSA-N 330.413 1.832 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)c3cnc4n(c3=O)CCS4)C2)n1 56131253 KWRXHXSLEFJFTO-SNVBAGLBSA-N 347.400 1.060 0 40 EDAB O=C([C@H]1CCCc2n[nH]cc21)N1CCC2(CCC2)S(=O)(=O)CC1 1550818084 XGCYVHBHIVNHSY-LBPRGKRZSA-N 337.445 1.399 0 40 EDAB C[C@@H]1CN(CCNS(=O)(=O)Cc2cccc(F)c2)C[C@@H](C)O1 68875896 FNZCTKCYTIFYHB-CHWSQXEVSA-N 330.425 1.354 0 40 EDAB Cc1nnc(COC(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)o1 69968147 KRRDTODNWKEERX-GFCCVEGCSA-N 348.378 1.771 0 40 EDAB COc1cccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3ccnc3C)[C@H]2O)c1 952844676 FVOGFLRDJBZUGF-HSFUPAIVSA-N 345.399 1.016 0 40 EDAB biogenic,in-vitro O=C(CCn1ccnn1)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 76060406 SLEWZXAKRRGLCA-JTQLQIEISA-N 342.325 1.816 0 40 EDAB Cc1[nH]cc(C(=O)NCc2csc(=O)[nH]2)c(=O)c1Br 97080786 PLNQZNGGMNGLHG-UHFFFAOYSA-N 344.190 1.126 0 40 EDAB Cc1cc(S(=O)(=O)N(C)Cc2ncnn2C)c(Cl)cc1F 89570450 RXWSGWFNVVBRQI-UHFFFAOYSA-N 332.788 1.737 0 40 EDAB COCCC1(C(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)CC1 583618998 SBFALOWZWQIDFA-KRWDZBQOSA-N 336.436 1.486 0 40 EDAB CC(C)CN1CC(=O)N([C@H]2CCN(CC(F)(F)F)C2=O)C1=S 1616036292 SMAVSHZBEWWXKK-VIFPVBQESA-N 337.367 1.235 0 40 EDAB Cc1c[nH]cc(Br)c1=NC(=O)c1cc(CN(C)C)on1 1548453812 JISPCAICOBLNPE-UHFFFAOYSA-N 339.193 1.876 0 40 EDAB CN(C)C1CCN(C(=O)[C@@H]2CN(C)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772596019 ZBYQVRXUQRMSRL-AOIWGVFYSA-N 343.471 1.851 0 40 EDAB COc1ccc2cc(C)c3nn(CC(=O)N4CCCC4)c(=O)n3c2c1 12181517 VPWCFWSNWAZFTA-UHFFFAOYSA-N 340.383 1.589 0 40 EDAB Cc1cc2cc3c(cc2n2c(=O)n(CCN4CCCC4)nc12)OCO3 12181991 UAGNLTYTYFJGSL-UHFFFAOYSA-N 340.383 1.782 0 40 EDAB Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)[C@H]2CCOC2)on1 12337711 XGKMYCIZKAZJKB-LBPRGKRZSA-N 345.403 1.501 0 40 EDAB CN(C)CCCn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C 12391954 YQJROZHIGYJFOE-UHFFFAOYSA-N 340.427 1.657 0 40 EDAB CCN(CC)C(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 13678147 VYKCZCUCSFSMHP-CQSZACIVSA-N 326.418 1.472 0 40 EDAB C[C@H](NC(=O)CN1C(=O)[C@@H]2CCCN2C1=O)c1ccc(Cl)cc1 14372139 RSWWEJNNPGXVLZ-GWCFXTLKSA-N 335.791 1.944 0 40 EDAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)CC(C)(C)C)C[C@H]1CC2 19021924 RJXDQNOWALQYLD-ZBFHGGJFSA-N 346.475 1.944 0 40 EDAB Cc1cc2nc([C@H](NC(=O)c3ccnn3C)C(C)C)cc(O)n2n1 19129519 PTOGVUDUFWZZAY-OAHLLOKOSA-N 328.376 1.604 0 40 EDAB O=C1C[C@@H](c2ccco2)Cc2nc(N3CCN(CCO)CC3)ncc21 19938248 YVULIILDTHWOGM-ZDUSSCGKSA-N 342.399 1.097 0 40 EDAB O=C(c1ccccc1OC(F)(F)F)N1C[C@H]2C[C@H]1CS2(=O)=O 575608625 UYXOUZVUXOJLIQ-DTWKUNHWSA-N 335.303 1.597 0 40 EDAB CC(C)S(=O)(=O)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390832332 YSIHXJIXLPJVPZ-LBPRGKRZSA-N 337.488 1.648 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O 4308475 PHXYKQDXCDFPSH-QGZVFWFLSA-N 335.379 1.851 0 40 EDAB CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)C2=COCCO2)cc1 5895428 ZKHYGRHSHUWPAA-UHFFFAOYSA-N 347.367 1.672 0 40 EDAB O=S(=O)(C1CC1)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888855944 ZDJGBIIQSOUYHE-NHYWBVRUSA-N 341.408 1.589 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)no1 1888863819 YZFKTQQGRIBLEA-PHIMTYICSA-N 347.350 1.135 0 40 EDAB O=C([C@H]1CN(c2ncnc3sccc23)CCO1)N1CCCCC1 1888906624 QGQRXGZUIHBAON-CYBMUJFWSA-N 332.429 1.909 0 40 EDAB O=S(=O)(N[C@@H]1CO[C@]2(CCCNC2)C1)c1ccc(F)cc1F 2056225991 HCSKAURKKXYNDK-SMDDNHRTSA-N 332.372 1.154 0 40 EDAB CCC(CC)NC(=O)[C@H]1C[C@]2(CO1)CN(Cc1cnc[nH]1)CCO2 2056226380 QCZROTIOXDDAFT-NVXWUHKLSA-N 336.436 1.074 0 40 EDAB COc1cnccc1C(=O)N1CCc2c(CN(C)C)cncc2C1 1565551634 IRELTJPAMVTUCL-UHFFFAOYSA-N 326.400 1.745 0 40 EDAB C[C@@]1(C(=O)N2C[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)CC=CCC1 1565550536 CEUGWPXHVNJQAN-FRQCXROJSA-N 342.443 1.887 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@H]2Cc3nc(N4CCCC4)ncc3[C@@H]2C1 1565545793 MGDXAOHHELTMPL-QVDCYYDOSA-N 340.427 1.067 0 40 EDAB COc1ccc(N2C[C@@H](NC(=O)NCc3cccnc3)CC2=O)cc1 4272625 WPHYAFKGWBHIFB-AWEZNQCLSA-N 340.383 1.695 0 40 EDAB O=C(C[C@H](NCCCO)C(=O)O)Nc1cc(Cl)cc(Cl)c1 4939809 KRHXEIPDRIBUOG-NSHDSACASA-N 335.187 1.747 0 40 EDAB Cc1ccc(C(=O)c2cn(CC(N)=O)c3nc(C)ccc3c2=O)cc1 20579639 INTJMKPYQCALBQ-UHFFFAOYSA-N 335.363 1.730 0 40 EDAB Cc1nnsc1C(=O)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O 28284107 YGVUXFLNEVUZBP-RKDXNWHRSA-N 340.430 1.583 0 40 EDAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccc(F)c(F)c2)n1 211098813 AOFXVENWRCWTOO-UHFFFAOYSA-N 342.371 1.608 0 40 EDAB O=C(CNC(=O)OCc1ccccc1)N[C@H]1CCC12CCOCC2 585409399 RPIGLASPBFZMBR-HNNXBMFYSA-N 332.400 1.988 0 40 EDAB CS(=O)(=O)N1C[C@@H]2CN(c3ccc(Br)cn3)C[C@H]2C1 2298206433 JDSDIVVMXDSKBX-UWVGGRQHSA-N 346.250 1.172 0 40 EDAB Cc1nn(C)cc1C1=NO[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 103505585 GRNLWNQNLYGSGD-JSGCOSHPSA-N 344.758 1.674 0 40 EDAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1nc(-c2ccco2)no1 40494083 JWUOKUOFXQEGKF-UHFFFAOYSA-N 330.300 1.563 0 40 EDAB Cc1c(C(=O)N2CCO[C@H](C(N)=O)C2)oc2c1C(=O)CC(C)(C)C2 50847260 HNIJDYSKWBKBLT-LBPRGKRZSA-N 334.372 1.069 0 40 EDAB CN(C)c1cc(CNC(=O)[C@H]2CCCN(c3cnccn3)C2)ccn1 40512548 VEJQCYSIGVFDPY-HNNXBMFYSA-N 340.431 1.470 0 40 EDAB C[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 40509762 QPABPFJFMVDALX-STQMWFEESA-N 346.383 1.058 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)NC1CCN(S(C)(=O)=O)CC1 40525210 YMYUFKPCVSTXEV-GFCCVEGCSA-N 337.445 1.571 0 40 EDAB O=C(NCCC(=O)N1CCN(CCOc2ccccc2)CC1)C1CC1 40513968 HVRZMXNMHBNRGO-UHFFFAOYSA-N 345.443 1.126 0 40 EDAB C[C@@H](C(=O)Nc1ccnc(Sc2ccccn2)c1)S(C)(=O)=O 69463102 ZERKNUGBJSLEEK-JTQLQIEISA-N 337.426 1.999 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)NCCc2cccs2)n1 69490478 PTWJWYLTXDQOGP-HNNXBMFYSA-N 347.488 1.780 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1cccc(-n3c(C)c[nH]c3=O)c1)C2 69484920 CQFNMXRQEBWUKM-UHFFFAOYSA-N 338.371 1.030 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C 2556601 OYHZLGHNPPITIX-RYUDHWBXSA-N 330.425 1.140 0 40 EDAB COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1-n1cnnn1 20734805 VKBXZBPGNHSDOY-UHFFFAOYSA-N 341.302 1.840 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 6640570 LDERMBPXNABRGX-SCZZXKLOSA-N 336.413 1.864 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cn1 69655226 GZFKEQAREZEBRZ-XJKSGUPXSA-N 342.399 1.725 0 40 EDAB CC(=O)N1CCN(C(=O)NCCCn2c(C)nc3ccccc32)CC1 89729963 FWBLCXZVKCEUKN-UHFFFAOYSA-N 343.431 1.609 0 40 EDAB CCCn1c(=O)n(C)c(=O)c2ccc(-c3ccc4c(c3)OCO4)nc21 2635415 GIXPTHDSQMUGTD-UHFFFAOYSA-N 339.351 1.901 0 40 EDAB OCCN(CCO)c1ncnc2c1cnn2-c1ccc(Cl)cc1 426492 OLOTUEPQRXPVRQ-UHFFFAOYSA-N 333.779 1.260 0 40 EDAB O=C1C[C@H]2[C@H](N3CCCC3)CC[C@H](N1Cc1ccccc1)C2(O)O 104302493 SINUNCSWWDINOL-BBWFWOEESA-N 330.428 1.343 0 40 EDAB CCOC(=O)c1[nH]c(C)c(C(=O)CN2C(=O)NC(C)(C)C2=O)c1C 22019364 SGNHMBQNSIREEP-UHFFFAOYSA-N 335.360 1.321 0 40 EDAB O=C(NCCCNC(=O)C1CCC1)N[C@H]1CCN(c2ccccc2)C1 89845599 XMOGPGAWMGUPNT-INIZCTEOSA-N 344.459 1.871 0 40 EDAB CCOc1ccc(NCc2nc(C)no2)cc1S(=O)(=O)N(C)C 42120851 AJFCWXODZDSIJC-UHFFFAOYSA-N 340.405 1.639 0 40 EDAB CCCCCn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21 42152854 REXANHXGLWWYER-UHFFFAOYSA-N 329.198 1.386 0 40 EDAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1 57525620 QPHDRUQJQRIEND-UHFFFAOYSA-N 337.379 1.956 0 40 EDAB NC(=O)CN(C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C1CCCC1 47236496 NXIORUKXFCQEMZ-LBPRGKRZSA-N 347.390 1.435 0 40 EDAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2c(C)noc2C)c1 107462571 NEOADAXHZAMLIG-UHFFFAOYSA-N 340.357 1.887 0 40 EDAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCN(c2ccccc2F)CC1 61718014 QFYJZHDTZGOPAE-UHFFFAOYSA-N 341.386 1.965 0 40 EDAB CC(=O)NC1C[C@H]2CCC[C@H](C1)N2CC(=O)NCc1ccc(F)cc1 100433691 CMQKFRXCWMINRL-QZTJIDSGSA-N 347.434 1.964 0 40 EDAB O=C(NCc1ccccc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 54887469 YLUDHNGDNYXVFQ-MRXNPFEDSA-N 331.416 1.467 0 40 EDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(C)c2)c2ccccc2O1 12516993 QRZKYQAQIPVFFH-KRWDZBQOSA-N 339.395 1.947 0 40 EDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCNC(=O)[C@@H]1C[C@@H]1C 106062231 STUOCHWRMDBNAQ-RMEBNNNOSA-N 336.432 1.481 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N2CCN(C)C[C@H]2c2ccccc2)C1 106819517 LJISBNIRQWVDJW-MSOLQXFVSA-N 329.444 1.760 0 40 EDAB CC(C)[C@@H](CNS(=O)(=O)c1ccc(F)c(F)c1)N1CCOCC1 25373651 WOATVMUOTXCYKJ-OAHLLOKOSA-N 348.415 1.600 0 40 EDAB COc1cc(C(=O)N2CCC3(CC2)OCCO3)cc(OC)c1OC 28090737 VIOPLLUVQBLUQT-UHFFFAOYSA-N 337.372 1.692 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCCCn2cccn2)[C@H]1c1ccccc1 57355365 OFIWLSMHRUHEFF-SJLPKXTDSA-N 340.427 1.999 0 40 EDAB C[C@H](CNC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1)[S@@](C)=O 108364589 KWKSRFHVEPKNIT-QDOIRAGGSA-N 336.816 1.579 0 40 EDAB O=C(NCCc1nnc(S)n1C1CC1)[C@@H]1C[C@@H]1c1cccnc1 109059660 MRPLSZGVQXMNPX-CHWSQXEVSA-N 329.429 1.759 0 40 EDAB CCc1nc(CN2CCCN(C(=O)[C@H]3CCCN3C)CC2)cs1 69779162 KEWQCXMCTJIXFL-OAHLLOKOSA-N 336.505 1.834 0 40 EDAB Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCN(C)CC1 22056550 BODSGNXVKGSWEU-UHFFFAOYSA-N 346.460 1.145 0 40 EDAB CCN(Cc1cccc(F)c1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 44892654 VWNHIBQNVKBFSM-CMDGGOBGSA-N 345.374 1.285 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)NCc2cccnc2)ccc1C 408621439 NBGOXMQFRFAMCZ-UHFFFAOYSA-N 333.413 1.618 0 40 EDAB CCOC(=O)CCNC(=O)Cc1csc(NC(=O)C(C)C)n1 58283541 GHCWMQCBBUEKGN-UHFFFAOYSA-N 327.406 1.350 0 40 EDAB CNC(=O)COc1cccc(CNCc2c(C)nn(C)c2OC)c1 58344809 ZDTSKGZFCFEDOU-UHFFFAOYSA-N 332.404 1.152 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)NC[C@H]1Cc2ccccc2O1 48189050 DQLUYWAQUQFQPH-CQSZACIVSA-N 337.441 1.854 0 40 EDAB O=C(Cc1noc(C(=O)NCc2ccco2)n1)NCc1ccccc1 36359606 MNINEMGAOLWDDH-UHFFFAOYSA-N 340.339 1.452 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)N2CCOCC2)o1 48249461 ZCLWKHIMOQLRPA-DOMZBBRYSA-N 340.445 1.944 0 40 EDAB CC[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 48280119 RXYXJQLGMBZRGH-TZMCWYRMSA-N 326.418 1.633 0 40 EDAB O=C(Nc1cc(-c2c(F)cccc2F)[nH]n1)[C@@H]1CCS(=O)(=O)C1 69563321 DPRLKHWBXCFNMN-MRVPVSSYSA-N 341.339 1.728 0 40 EDAB Nc1nc(CSc2nnnn2C2CCOCC2)nc2ccccc12 69569245 FUOMSXSLGSNBDR-UHFFFAOYSA-N 343.416 1.842 0 40 EDAB O=C(O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 3888091 AZEWYWODSHSGGT-UHFFFAOYSA-N 341.385 1.333 0 40 EDAB Cc1ccc(N2CCC[C@H](NCC(=O)Nc3cc(C)nn3C)C2)nn1 69814899 TXTWVEUBHMCDLW-AWEZNQCLSA-N 343.435 1.024 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)CCn3cc(C)cn3)CC2)n1 69846890 DOYYZHMCBODYLD-UHFFFAOYSA-N 344.419 1.037 0 40 EDAB COC(=O)CCN(C(=O)c1cn(Cc2ccccc2)nn1)C(C)C 69808893 VEYAWJGRVGHNHI-UHFFFAOYSA-N 330.388 1.740 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)Cc2ccc(OC)cc2OC)CC1 69976315 VONKTEQVJUQAHL-HNNXBMFYSA-N 336.432 1.161 0 40 EDAB O=C(c1ccc[nH]1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 69949232 HUHULTMHYICJDW-UHFFFAOYSA-N 325.294 1.786 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)[C@@H](C)n3cncn3)C2)c1 69920823 FTRNXLBWULCGSL-ZIAGYGMSSA-N 329.404 1.490 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNC(=O)NCc2nnc3n2CCCCC3)C1 65435190 BSQMMQFAKOYRRN-GASCZTMLSA-N 348.495 1.782 0 40 EDAB NC(=O)CN(C(=O)/C=C/c1ccc2c(c1)OCCO2)C1CCCC1 65491501 MJFPHOSSSGWYJF-SOFGYWHQSA-N 330.384 1.728 0 40 EDAB O=C(CS(=O)(=O)NC[C@@H]1CCCO1)Nc1ccc2c(c1)CCC2 65548095 AHRMXNBEYOEODT-HNNXBMFYSA-N 338.429 1.212 0 40 EDAB Cc1nc(COC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)no1 65531308 POUKFOFLGVDMFK-CYBMUJFWSA-N 344.371 1.437 0 40 EDAB C[C@]1(C(=O)Nc2cccc(-n3cnnn3)c2)Cc2ccccc2C(=O)O1 5486806 SJTILXWFZPISBP-GOSISDBHSA-N 349.350 1.773 0 40 EDAB COc1cccc(CCC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1OC 66369341 OPURGXXJXMCIHG-LBPRGKRZSA-N 343.445 1.528 0 40 EDAB O=C(O)c1ccc(CN2CCN(Cc3ccc(C(=O)O)o3)CC2)o1 19359254 PYBWJWDOFKNKJK-UHFFFAOYSA-N 334.328 1.587 0 40 EDAB COCc1c(C(=O)O)nnn1-c1cc(Cl)c(OC)cc1OC 67323701 XVANLIIYFJNSTB-UHFFFAOYSA-N 327.724 1.783 0 40 EDAB CC(C)CCNC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 9066209 VZNNKTLZGPNFHZ-UHFFFAOYSA-N 332.404 1.707 0 40 EDAB CC(C)Oc1ccc(C(N)=O)cc1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C 71284441 SENCEWCDCIBMQU-QWHCGFSZSA-N 334.372 1.868 0 40 EDAB Cn1cc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2 7720139 GWDXPQKSXIXJSZ-UHFFFAOYSA-N 336.273 1.665 0 40 EDAB Cn1nc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)ccc1=O 7814310 MNZYFSJFGVMCHT-UHFFFAOYSA-N 340.383 1.705 0 40 EDAB C[C@@H](NC(=O)CNC[C@@H]1CCCN1c1cccnn1)c1ccccc1 71859845 ASIRMQAVKVQNMD-WBVHZDCISA-N 339.443 1.912 0 40 EDAB Cc1cc(NC(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)[nH]n1 71814852 NAVAEIIFQVODGW-UHFFFAOYSA-N 328.376 1.481 0 40 EDAB Cn1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c2ccccc21 72269385 RXPSPZNZQLZABW-ZWKOTPCHSA-N 327.428 1.850 0 40 EDAB CC(C)COc1ncccc1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269557 ANKRRYBGGRAUOB-IRXDYDNUSA-N 347.459 1.788 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 72269234 VBFBUYHRWWIYKR-KGLIPLIRSA-N 336.436 1.183 0 40 EDAB Cc1nc(CN2CCC[C@H](NCC(=O)Nc3nccs3)C2)no1 72234599 AXDNVFAJNXIDAQ-NSHDSACASA-N 336.421 1.027 0 40 EDAB CN(C[C@H]1CCCO1)C(=O)NCCNC(=O)Cc1ccc(F)cc1 72242378 YNJMSSYEDMJEGU-OAHLLOKOSA-N 337.395 1.305 0 40 EDAB CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)c3cc[nH]n3)cc2)C1 72295459 IEZKDMCPHKTFBU-HNNXBMFYSA-N 341.415 1.828 0 40 EDAB O=C1CCC(=O)N1C[C@@H](O)CN(Cc1ccccc1F)C1CCC1 97014475 NVAQMOIEIQAYQB-HNNXBMFYSA-N 334.391 1.690 0 40 EDAB C[C@@H](CC(=O)Nc1cccc(F)c1)NC[C@@H]1CCS(=O)(=O)C1 97016469 XVQOQMRMKQIRNH-RYUDHWBXSA-N 328.409 1.567 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 76045980 ZTMFZGNYTYUKOH-LBPRGKRZSA-N 335.433 1.665 0 40 EDAB COc1ccc(Nc2nc(C(=O)N[C@@H]3CCCNC3=O)cs2)cc1 76019182 WRRCRPYMIBSTAD-GFCCVEGCSA-N 346.412 1.904 0 40 EDAB Cc1nn(CCO)c(C)c1CNCc1ccc(-n2cccn2)nc1 97159869 QGMLYRRZFAHLLS-UHFFFAOYSA-N 326.404 1.363 0 40 EDAB COc1cc(F)ccc1N1CCN(c2nc(N)nc3[nH]cnc23)CC1 97115332 GYZDNVOMJMPPDT-UHFFFAOYSA-N 343.366 1.409 0 40 EDAB CCc1nnc2n1C[C@H](NCc1ccc(-n3cncn3)c(F)c1)CC2 97199592 UAZNOTHDXRMVKV-CYBMUJFWSA-N 341.394 1.665 0 40 EDAB CC(C)(C)c1nc(CN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)no1 72300674 GMOJKBUAUMZUOY-HWPZZCPQSA-N 335.408 1.177 0 40 EDAB CCOc1ncnc2c1CN(CCC(=O)Nc1cc(C)on1)CC2 97202426 VTMZSDURSVEMEQ-UHFFFAOYSA-N 331.376 1.559 0 40 EDAB CC1(C)Cc2cccc(OCC(=O)NCCCN3CCCC3=O)c2O1 97654629 BOHFXIWUVILMJM-UHFFFAOYSA-N 346.427 1.908 0 40 EDAB COc1ccccc1NCC(=O)NCC1(N2CCCC2)CCOCC1 95396486 UDMZZDRAEDHBSD-UHFFFAOYSA-N 347.459 1.868 0 40 EDAB CC[C@@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1cccs1 78904792 RLEGPMWJIVRMCD-CYBMUJFWSA-N 347.444 1.991 0 40 EDAB C[C@H](CNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1)[S@](C)=O 95447424 AYYNXIHHLKDOIZ-NSCUQIJASA-N 341.452 1.861 0 40 EDAB Cc1cccc([C@H](C)[S@](=O)CC(=O)N2CCC[C@H](C(N)=O)C2)c1 95414483 WCZLFVIXZABCAA-HMFCALDFSA-N 336.457 1.529 0 40 EDAB Cc1noc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 73645190 BMPFJCRXSPAKPL-UHFFFAOYSA-N 344.371 1.957 0 40 EDAB C[C@H](O)CNCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1 22075858 VZYUJVSWUFXTOD-AWEZNQCLSA-N 337.464 1.040 0 40 EDAB CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1CCC2(C1)OCCO2 95991381 MXTHVKXTRQSVKW-KRWDZBQOSA-N 346.427 1.489 0 40 EDAB COCCN(CCC(=O)O)C(=O)Cc1ccc(OC(F)F)cc1 95970050 BEWWLULSBYSFGS-UHFFFAOYSA-N 331.315 1.780 0 40 EDAB C[C@@H]1CCCN1C(=O)CCN1CCN(C2=NCC(C)(C)S2)CC1 85821419 WIRXSKOCDLOOKJ-CQSZACIVSA-N 338.521 1.886 0 40 EDAB C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1cccc(-n2cccn2)c1 74973110 HUJJMZBGSRBTPE-GFCCVEGCSA-N 331.401 1.645 0 40 EDAB Cc1ccc([C@H]2COCCN2C(=O)c2cccc(-n3cnnn3)c2)o1 89652834 CADFXVSRLCKEFD-OAHLLOKOSA-N 339.355 1.777 0 40 EDAB COc1c(C(=O)N2CCN(c3cccc(C)n3)C[C@H]2C)c(C)nn1C 89688938 VDWKQIBPLNQUDW-CYBMUJFWSA-N 343.431 1.791 0 40 EDAB O=C(O)C1(C(=O)NS(=O)(=O)c2ccccc2OC(F)F)CCC1 1548451765 GJBFSEMMXCQYAQ-UHFFFAOYSA-N 349.311 1.348 0 40 EDAB Cn1cc(S(=O)(=O)NC2(c3noc(C4CC4)n3)CCCC2)cn1 177583441 VISWZSBZUBLFCM-UHFFFAOYSA-N 337.405 1.428 0 40 EDAB COCCNc1ccc(C[C@H]2CCCN(C3CCOCC3)C2)nn1 72387298 DUDFRJKNGBGPLF-OAHLLOKOSA-N 334.464 1.968 0 40 EDAB COc1ccc(CCS(=O)(=O)NC[C@@H](O)c2ccsc2)cc1 56906385 QDGBDZALFSCWJR-OAHLLOKOSA-N 341.454 1.952 0 40 EDAB CCc1nc(OC)ccc1NC(=O)[C@H]1Cn2c(C)nnc2CN1C 1552326443 YEBROTMAFROFNF-CYBMUJFWSA-N 330.392 1.005 0 40 EDAB O=C(CCn1cnnn1)Nc1n[nH]c(-c2ccc(F)c(Cl)c2)n1 524732473 HIWOFJAWUOXDNM-UHFFFAOYSA-N 336.718 1.280 0 40 EDAB C[C@@H](CO)N1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 72363664 QTARBEKOLWDGIS-ZDUSSCGKSA-N 328.420 1.646 0 40 EDAB C[C@H](CC(=O)N[C@H](C)C(=O)N1CCOCC1)Cc1cccc(F)c1 73118557 HTYIXJCBLVWRPA-UONOGXRCSA-N 336.407 1.758 0 40 EDAB Cc1cc(C)cc(C2(C(=O)N3CC[C@@]4(C3)NC(=O)NC4=O)CC2)c1 72290640 ASXDPHAQEKPSCT-SFHVURJKSA-N 327.384 1.146 0 40 EDAB O=C(NCc1nc[nH]n1)c1ccc(I)cc1 37920236 GCURKYWJZMUTMX-UHFFFAOYSA-N 328.113 1.339 0 40 EDAB Cc1nnc(Nc2cccc([C@@H]3CCCN(CC(N)=O)C3)n2)s1 72383058 HZKVVDSJFLOXQN-LLVKDONJSA-N 332.433 1.650 0 40 EDAB CN(C)c1cccc(S(=O)(=O)N2CCC(F)(F)[C@H](C(=O)O)C2)c1 560418543 XQQFCAUMWYNVKT-LBPRGKRZSA-N 348.371 1.483 0 40 EDAB CCn1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)n1 72237851 ZUPOSBOJGFHJNS-HOTGVXAUSA-N 328.372 1.440 0 40 EDAB CC(C)(C)OC(=O)N[C@]1(CN)C[C@H]1S(=O)(=O)c1ccccc1 217978220 KIAYRNFCCBEVHG-DOMZBBRYSA-N 326.418 1.455 0 40 EDAB O=C(NCc1ccccn1)C1CN(C(=O)c2c[nH]c3ccccc23)C1 70812047 HRBVRFYAXRGKEU-UHFFFAOYSA-N 334.379 1.951 0 40 EDAB CCn1nccc1CNC(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O 41549020 JGYADQRKUWZCBP-MRXNPFEDSA-N 348.790 1.962 0 40 EDAB O=S(=O)(C1CC1)N1CCN(c2ncccc2Br)CC1 528118479 OEGHZKDPKPLWOW-UHFFFAOYSA-N 346.250 1.458 0 40 EDAB C[C@@H]1CN(C(=O)c2cc(NC(=O)c3cccs3)n(C)n2)C[C@@H](C)O1 40745963 ZHTOWRLFKXHDAP-GHMZBOCLSA-N 348.428 1.983 0 40 EDAB CN(C)[C@H](CNC(=O)NCCNc1cnccn1)c1cccc(F)c1 49798339 DVMLKPFNBFECDL-OAHLLOKOSA-N 346.410 1.630 0 40 EDAB COc1ccc2c(c1)CN([C@@H]1CC(=O)N(CC(F)(F)F)C1=O)CC2 195239416 VYDSWFLYFQZFDN-CYBMUJFWSA-N 342.317 1.743 0 40 EDAB Cc1cc(NC(=O)Cc2noc(C(=O)NCc3ccco3)n2)no1 40284346 UIOFIVSHLPKCDM-UHFFFAOYSA-N 331.288 1.070 0 40 EDAB CN1CCN(CCCN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 89223475 ZWNIDRZIFNCKFJ-OAHLLOKOSA-N 326.485 1.223 0 40 EDAB O=C(NCc1ccccc1F)[C@@H]1COCC(=O)N1Cc1cccs1 85472617 YUMVCSGTGZRJTG-HNNXBMFYSA-N 348.399 1.931 0 40 EDAB O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nc(C2CC2)n[nH]1 95477185 GEAWMKKGCVIEDI-UHFFFAOYSA-N 336.355 1.545 0 40 EDAB CN(C)c1ncn(-c2cccc(NC(=O)N[C@@H]3CCCNC3)c2)n1 577590506 AFCONBYATCMKOM-CYBMUJFWSA-N 329.408 1.207 0 40 EDAB COCC(=O)N1CC[C@@H]2CN(Cc3csc(C)n3)CCO[C@@H]2C1 96249703 YAAKGCGSKFAVPS-UKRRQHHQSA-N 339.461 1.147 0 40 EDAB C[C@@H](NC(=O)NCC(C)(C)N1CCN(C)CC1)C1CCOCC1 95417088 VDZQVBRXLYKVKB-CQSZACIVSA-N 326.485 1.127 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@@H]2CCN(CC3CCOCC3)C[C@@H]2O1 96066298 UBQFJMBFTJLCMB-JQHSSLGASA-N 348.443 1.802 0 40 EDAB C[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1c(F)cccc1Cl 96452791 RVLZNZGJEFTGKY-VIFPVBQESA-N 334.800 1.980 0 40 EDAB Cc1occc1C(=O)N1CCOC[C@@]2(CC[C@@H](Cn3cncn3)O2)C1 96160511 IGBZJYJESPTDMK-WMLDXEAASA-N 346.387 1.270 0 40 EDAB CCN1CC[C@@]2(CN(CCOC)CC23CCN(CC2CC2)CC3)C1=O 96036435 NEHGYHNFIYDBSL-HXUWFJFHSA-N 349.519 1.679 0 40 EDAB Cc1ccc(CN2CCn3c(COCC(=O)N(C)C)cnc3[C@H]2C)o1 96109713 SVOIXZXULMVSFC-CQSZACIVSA-N 346.431 1.966 0 40 EDAB COC[C@@H]1C(=O)NCC12CCN(C(=O)Cc1ccc(C)cc1)CC2 96207428 NVQJYNUVBZPEKY-MRXNPFEDSA-N 330.428 1.539 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1ccc(C(=O)O)o1 579589157 ZHSOGGXGNSKBEA-QMMMGPOBSA-N 341.389 1.238 0 40 EDAB CC(C)CNC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCc2cccnc2)C1 96100414 HJMLNSNIDVGMPY-OWCLPIDISA-N 346.431 1.153 0 40 EDAB c1coc(CN2CCO[C@]3(COCCN(Cc4ccncc4)C3)C2)c1 96229441 RTHCNUUETCQRGH-IBGZPJMESA-N 343.427 1.778 0 40 EDAB CC[C@H]1C(=O)NCCN1C[C@@H](CCOC)NC(=O)OC(C)(C)C 583651838 UIOXQZWUEBOUIC-OLZOCXBDSA-N 329.441 1.127 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(Cc2c(Cl)cnn2C)C1 583617609 LMPLSNNBLABEAD-PWSUYJOCSA-N 347.810 1.473 0 40 EDAB CCOCC(=O)N1CCCn2nnc(COc3cccnc3)c2C1 96259003 IEZTWZCZFWDIGM-UHFFFAOYSA-N 331.376 1.021 0 40 EDAB Cc1ccc(C(=O)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)o1 96188567 ONISWNHTOCXMIX-CQSZACIVSA-N 325.372 1.953 0 40 EDAB CCOC[C@@H]1CN(S(=O)(=O)CC)Cc2cnn(CC3CC3)c21 96044734 SWRLNIBOQUWJDP-AWEZNQCLSA-N 327.450 1.579 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(COCCN(Cc3ccoc3)C2)C1 96062348 PFNNDBDPHJQIJU-GOSISDBHSA-N 330.432 1.738 0 40 EDAB O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(c1ncccn1)C2 96208248 NWHYGKJTCXOPQC-VQIMIIECSA-N 338.411 1.288 0 40 EDAB COc1ncccc1CN1Cc2ccnn2[C@H](C(=O)N2CCCC2)C1 247817583 BWUNJQZDKYXUAE-INIZCTEOSA-N 341.415 1.466 0 40 EDAB Cc1ncsc1C(=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618255559 FGHAVXCTTBXZBT-UHFFFAOYSA-N 348.428 1.483 0 40 EDAB Cn1cc(C(=O)N2CC3(C[C@H](OCc4cccnc4)CS3)C2)cn1 248161801 XWBAOBFMYKZDPR-HNNXBMFYSA-N 344.440 1.732 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 585086824 YJJMHMYMPVMHBE-JHEVNIALSA-N 348.365 1.717 0 40 EDAB Cc1cc(NC(=O)CN2CCNC(=O)C2)cnc1N1CCCC[C@@H]1C 585129354 GUNFOVWLVXGUBN-AWEZNQCLSA-N 345.447 1.139 0 40 EDAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CC(=O)N=S(C)(C)=O)C1 585116626 CUTGBQYZMOGPED-CHWSQXEVSA-N 331.482 1.257 0 40 EDAB CCc1cc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)on1 257223373 DXAWFXBALFKPTA-QGZVFWFLSA-N 330.388 1.393 0 40 EDAB COC(=O)[C@]1(C)CN(C(=O)NC[C@@H](C)CC2(C)OCCO2)C[C@H]1C 252480061 BTQIWVIWZUIACK-WOSRLPQWSA-N 342.436 1.616 0 40 EDAB COc1ccc([C@H]2CNCCN2C(=O)c2ccc(C)nc2O)cc1 257267409 MHEHXOICJIQEJU-MRXNPFEDSA-N 327.384 1.891 0 40 EDAB O=C(NCCn1ccc2ccoc2c1=O)c1cccc2c1OCCO2 253404297 QXXABWLCAZVIKI-UHFFFAOYSA-N 340.335 1.796 0 40 EDAB CN(CCC(=O)N1CCO[C@@H](c2cnccn2)C1)Cc1cccnc1 257342375 ZOHVDYAFFVVKSL-QGZVFWFLSA-N 341.415 1.294 0 40 EDAB NC(=O)c1cnn2c([C@H]3CCCN(Cc4cncs4)C3)ccnc12 257248944 JFXHZSQQFZTRTE-NSHDSACASA-N 342.428 1.664 0 40 EDAB CNc1cnc(C[C@@H]2CCCN(C(=O)c3ccn(C)n3)CC2)cn1 257264093 LSWYBMLCZPKQFG-CYBMUJFWSA-N 328.420 1.737 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C(C)=O)CCN2C(=O)CC2CC2)c1 257206768 BEVOFPVJYUUOFG-QGZVFWFLSA-N 343.427 1.578 0 40 EDAB O=C(N[C@H]1CCCNC1=O)c1cccc(Cc2cccc(F)c2)n1 257215980 CSOFMJKIJVWOLU-HNNXBMFYSA-N 327.359 1.820 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)ncn1 257255983 KJQQXMIUVRAKEX-SFHVURJKSA-N 346.475 1.819 0 40 EDAB CO[C@@H]1[C@H](C)[C@@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1(C)C 272016637 WVMUZELDWCOECP-VCTAVGKDSA-N 340.445 1.983 0 40 EDAB Cc1cnc2c(S(=O)(=O)N3CCOC[C@@H]3C(=O)O)cccc2c1 275200313 YTQKTLDRRHWNMI-GFCCVEGCSA-N 336.369 1.017 0 40 EDAB CN(C)[C@@H]1CN(S(=O)(=O)c2ccccc2F)CC12CCOCC2 1615614680 QQNHHYXOHCEFEV-OAHLLOKOSA-N 342.436 1.557 0 40 EDAB CN(CCn1cnc2c(N)ncnc21)C(=O)Cc1ccc(Cl)cc1 585140446 DZCPABKQIIZHSD-UHFFFAOYSA-N 344.806 1.763 0 40 EDAB COC(C)(C)C(=O)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585285269 NSGBCWVYSULOBX-KCPJHIHWSA-N 325.380 1.885 0 40 EDAB COCCNC(=O)C[C@@H]1CN(CC2CCOCC2)Cc2cccn2C1 585099038 FJUSWRXLOHMAJG-QGZVFWFLSA-N 349.475 1.499 0 40 EDAB CC(=O)N1CCC(N2CC[C@](O)(COc3cccc(C)c3)C2)CC1 585269418 SRFFNKOWZUHBBF-LJQANCHMSA-N 332.444 1.822 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585095715 FHKOJFUWIAWWFM-SNPRPXQTSA-N 332.404 1.367 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1cnn(C)c1 585287670 ABSHHPXXTHPUAM-SUMWQHHRSA-N 334.420 1.099 0 40 EDAB CC(C)CC(=O)N1Cc2cncn2[C@H](C(=O)NCC2CCOCC2)C1 585096122 SNPVQUDKIKKWCE-INIZCTEOSA-N 348.447 1.355 0 40 EDAB O=C(Cc1c[nH]c2cnccc12)N[C@@H]1C[C@H](NCCO)C12CCC2 1078702989 JBUDMIQADORVIB-JKSUJKDBSA-N 328.416 1.115 0 40 EDAB CS(=O)(=O)c1ccccc1NC(=O)NCc1ccccc1CO 58378821 NGUBPRCQWIGPPK-UHFFFAOYSA-N 334.397 1.904 0 40 EDAB O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc[nH]n1 65578748 UUPKJWBRRBUKDZ-UHFFFAOYSA-N 348.428 1.240 0 40 EDAB COCCNC(=O)CN1CCN(C(=O)Nc2cc(C)ccc2C)CC1 70008148 IGRRLNSAOMUHBB-UHFFFAOYSA-N 348.447 1.216 0 40 EDAB CNC(=O)CCc1cc(C)nc([C@H]2CCCN2c2cnccn2)n1 72367029 ROPKQFDQGQNGII-CQSZACIVSA-N 326.404 1.595 0 40 EDAB COc1ccc2c(c1)CN(C(=O)[C@H](C)N)C[C@@]1(CCCN(C)CC1)O2 72394727 URFXQMZFAOMRKB-LIRRHRJNSA-N 347.459 1.618 0 40 EDAB C[C@](O)(CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccco1 73930914 FCBWLJVSWVAKLT-GWCFXTLKSA-N 335.326 1.423 0 40 EDAB COCCN(CCC(=O)OC)C(=O)c1cncc(Br)c1 69739261 CFANQUDZOALTDP-UHFFFAOYSA-N 345.193 1.496 0 40 EDAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]1Cn1nccn1 675007889 ZMFGSRWGDHIKCL-NSHDSACASA-N 325.294 1.997 0 40 EDAB C[C@](O)(CNC(=O)CCOc1cccc(Br)c1)C(=O)O 90276613 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NC(=O)C1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)CC1 40487646 WGDUDZOMVJZLHX-UHFFFAOYSA-N 341.415 1.322 0 40 EDAB C[C@@H]1CCCN(Cc2ccc(CNC(=O)Cn3cnnn3)cc2)C1 40534577 BOVFIAQYKULSFE-CQSZACIVSA-N 328.420 1.221 0 40 EDAB O=C(COc1ccccc1)NCC(=O)N1CCC[C@@H]1c1ccncc1 36700761 UICWTLSQUQSCEG-QGZVFWFLSA-N 339.395 1.940 0 40 EDAB COc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1 882975 MYVZZJOPYGXWAR-UHFFFAOYSA-N 325.328 1.688 0 40 EDAB CN(C)C(=O)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 40520425 WFIMLEVZPCXYLR-UHFFFAOYSA-N 349.822 1.376 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1 29195068 DYTORSPQTGHTDX-CYBMUJFWSA-N 349.412 1.495 0 40 EDAB Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 2639668 ZNRCNTOIXNSCBQ-UHFFFAOYSA-N 342.351 1.655 0 40 EDAB CC(C)[C@H](c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1 4399663 JILSNLMJGBOHKY-MRXNPFEDSA-N 342.447 1.616 0 40 EDAB CC(C)N(CC(N)=O)CC(=O)Nc1ccn(Cc2ccccc2)n1 51966776 NRBYPZVFKMHWEQ-UHFFFAOYSA-N 329.404 1.066 0 40 EDAB Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1NS(C)(=O)=O 10365660 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EDAB COc1cc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)ccn1 65587342 GIQITIQYEJZYQG-CHWSQXEVSA-N 334.420 1.679 0 40 EDAB CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N1CC[C@H](C(N)=O)C1 65533058 KUZVWJNRKSETFC-HZMBPMFUSA-N 326.343 1.702 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1 4505208 DKVCNBBMASVURU-AWEZNQCLSA-N 347.458 1.283 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)/C=C/c2ccccc2)CC1 69560573 JLYCMQGLRPUTAH-KBOKABMXSA-N 327.428 1.641 0 40 EDAB COc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nc(C)no3)C2)cn1 69532607 ZQVUACRMDJENIP-LLVKDONJSA-N 345.359 1.126 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc3c(c2)OCO3)C1 14230803 OTKCJRWQVAFVFU-AWEZNQCLSA-N 335.404 1.894 0 40 EDAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H]1CC(=O)N(C)C1 69571267 LILKLZKHBDZMOJ-UWVGGRQHSA-N 330.306 1.820 0 40 EDAB CCCCNC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 5426285 WIPZYOYTTIWCCL-HNNXBMFYSA-N 329.400 1.682 0 40 EDAB CCOC(CNS(=O)(=O)c1ccc2c(c1)OCCO2)OCC 5788636 XJBGWKCQODFNKE-UHFFFAOYSA-N 331.390 1.135 0 40 EDAB Cc1cc(NNS(=O)(=O)c2ccccc2Cl)n2ncnc2n1 8746143 IBHKGFWWMHDEKY-UHFFFAOYSA-N 338.780 1.392 0 40 EDAB Cc1cn2c(nc3c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n3C)[nH]1 8725105 DJFDJNWZYAGGPH-UHFFFAOYSA-N 343.774 1.686 0 40 EDAB NS(=O)(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 66902863 GVTJIZJMOSEVNN-UHFFFAOYSA-N 338.260 1.751 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@]1(O)CCCc2ccccc21 66930425 OBHQKYRCYHIAGP-BFUOFWGJSA-N 342.395 1.738 0 40 EDAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1ccc3c(c1)CCO3)C2 90168369 MWGWMAVXNJFUCC-ZDUSSCGKSA-N 333.413 1.420 0 40 EDAB Cc1ccccc1[C@@H](NC(=O)NCCN1C(=O)CNC1=O)C(C)(C)C 80139913 LMSUYFMGFBDBTH-OAHLLOKOSA-N 346.431 1.933 0 40 EDAB CC(C)c1nc([C@@H]2COCCN2S(=O)(=O)c2ccccc2)no1 96000560 NGAPWFCDXPXZGA-ZDUSSCGKSA-N 337.401 1.955 0 40 EDAB CC(C)(C)OC(=O)N[C@@]1(C(F)(F)F)N=C2SCCN2C1=O 96232538 RPXHCDZBLKYOGE-JTQLQIEISA-N 325.312 1.715 0 40 EDAB CC(C)N1C[C@H](c2nc(CC(=O)Nc3ccccc3)no2)CC1=O 96405278 FBSITZKKYKUBLN-GFCCVEGCSA-N 328.372 1.975 0 40 EDAB O=C(c1cc(Cl)c[nH]1)N1CCN(Cc2nnc(C3CC3)o2)CC1 71824758 ICPMEYDWTFFECB-UHFFFAOYSA-N 335.795 1.887 0 40 EDAB CC(C)c1noc(CN2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)n1 71839621 GMOTWWBNNUKZBX-CYBMUJFWSA-N 332.408 1.295 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 71866012 JHPGVHHOJHFQBT-CQSZACIVSA-N 327.450 1.397 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](NCc1nnnn1-c1ccccc1)CC2 71871793 KZOPSZFCZFNORH-CYBMUJFWSA-N 338.419 1.482 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)Nc2cnc3c(c2)c(C)nn3C)C1 71854907 DROGMHALLBGBMT-NSHDSACASA-N 346.391 1.629 0 40 EDAB COc1cccc(CO[C@H](C)C(=O)Nc2c(C(N)=O)n[nH]c2C)c1 71888294 BRMBTUUKZUARND-SNVBAGLBSA-N 332.360 1.369 0 40 EDAB Cn1c(=O)n(C)c2cc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)ccc21 71846854 UGSBMOCRBIXWEA-NEPJUHHUSA-N 329.356 1.483 0 40 EDAB CNc1cc(N2CCC[C@H]2CN[C@H](C(N)=O)c2ccccc2)ncn1 72276614 ALPDQKJBLFEGAR-YOEHRIQHSA-N 340.431 1.303 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1cn(-c3ccccc3)nn1)C2 72279551 ITRGRRSNMRYLKO-UHFFFAOYSA-N 349.398 1.688 0 40 EDAB COC(=O)[C@H](O)C1CCN(Cc2cn(C)nc2-c2cccs2)CC1 97034018 RPKKAMSJPCYSFV-MRXNPFEDSA-N 349.456 1.895 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1cnnn1-c1ccccc1Cl 97197361 FJCSEAZPOHRQTN-NSHDSACASA-N 342.790 1.862 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@@H](O)COc1ccc(F)cc1)CC2 97202496 CSEPJURPSCQUEE-CQSZACIVSA-N 346.406 1.480 0 40 EDAB COc1ccc(-c2n[nH]cc2C(=O)NCc2nncn2C2CC2)cc1 76065970 KNTIJQOWDKMSLX-UHFFFAOYSA-N 338.371 1.942 0 40 EDAB CCN(C(=O)NCc1nccn1C)[C@H]1CCN(c2ccccc2)C1=O 84437059 BUTLBPMRQADZDC-HNNXBMFYSA-N 341.415 1.757 0 40 EDAB CC(C)CN(CC(F)(F)F)C(=O)CSc1n[nH]c(=O)n1C 97493846 CSDHXDGNDSQENH-UHFFFAOYSA-N 326.344 1.247 0 40 EDAB CC1(C)Cc2ccc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)c(O)c2O1 78441347 FXCWTMUFQAJIBT-ZIAGYGMSSA-N 346.427 1.699 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)[C@@H]2CCC(=O)C[C@@H]2C)cc1F 95447033 RLTMTFOEUMFVET-SWLSCSKDSA-N 334.391 1.985 0 40 EDAB C[C@H](NS(=O)(=O)c1cccc(Br)c1)c1nc[nH]n1 95454411 XEUZXOXGZDBQKO-ZETCQYMHSA-N 331.195 1.607 0 40 EDAB Cn1ccnc(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)c1=O 95463697 YVTRREOQVPPQGX-UHFFFAOYSA-N 348.725 1.406 0 40 EDAB Cc1cc(S(=O)(=O)N2CC[C@@H](O)C2)c(C)cc1Br 95432999 CXKKQNWXXWJCBV-SNVBAGLBSA-N 334.235 1.821 0 40 EDAB Cc1noc(-c2cccnc2N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)n1 78415495 PQGJURNYRHDADM-BXUZGUMPSA-N 327.388 1.745 0 40 EDAB CNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1 78880865 XSVNBJUDIJKDHU-QWHCGFSZSA-N 341.433 1.119 0 40 EDAB CC(C)N(C1CCC1)S(=O)(=O)c1cccc(-c2nnnn2C)c1 78903983 RWUMSUDLYCNGKK-UHFFFAOYSA-N 335.433 1.829 0 40 EDAB CC(C)NC(=O)CNC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 95943210 VJLGHCUCYVXFGG-ZDUSSCGKSA-N 338.477 1.661 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H]1CCS(=O)(=O)C1 95958708 CNCKIXSXAJEYDH-HOCLYGCPSA-N 348.424 1.254 0 40 EDAB CCNC(=O)CN1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)CC1 79013023 RUIUWKAZEUTPBI-AWEZNQCLSA-N 343.427 1.817 0 40 EDAB COc1cc(C(=O)OCc2c(C)noc2C)ccc1OCC(N)=O 25176533 YRQNHEZNXQBANQ-UHFFFAOYSA-N 334.328 1.521 0 40 EDAB Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H](N)[C@@H](C)O 67788642 FYSXSBBFPXHBNU-HIFRSBDPSA-N 329.400 1.815 0 40 EDAB O=C(C[C@H]1CN(c2ncccn2)Cc2ccnn21)NCc1ccccn1 306140754 VDESEAQZUIIDNC-INIZCTEOSA-N 349.398 1.336 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC(C)C)cc1C 408613107 ZHVGIQGKQKLVGI-CYBMUJFWSA-N 342.461 1.833 0 40 EDAB O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 35898136 NYHRDAWQJHASMR-KXNHARMFSA-N 325.267 1.881 0 40 EDAB C[C@@H]1CN(C(=O)CNC(=O)c2cc(F)cc(F)c2)C(C)(C)CO1 126735709 FEVDLXDSVJBXFN-SNVBAGLBSA-N 326.343 1.721 0 40 EDAB O=C1c2ccccc2C(=O)N1CC(=O)N1CCCC[C@]12CCCOC2 1529419973 HVOGETNVMGCDSM-LJQANCHMSA-N 342.395 1.844 0 40 EDAB COc1cccc(C(=O)N2CCC[C@H](C(N)=O)C2)c1OC(F)F 72656314 VSXUUCTUZBJOGT-VIFPVBQESA-N 328.315 1.634 0 40 EDAB CC(=O)N1C(=S)NC(=O)/C1=C/c1cc2cc(C)ccc2[nH]c1=O 33930136 PKYKRHZJRBSSDO-QPEQYQDCSA-N 327.365 1.441 0 40 EDAB C[C@@H](Nc1cccc(OCC(F)(F)F)c1)C(=O)N1CCNC1=O 30495301 MPOXMCGEAQHTPM-SECBINFHSA-N 331.294 1.980 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)NC[C@@H](C(=O)O)C1CCOCC1 567581469 DMMWNKLGOOBJII-GFCCVEGCSA-N 345.392 1.540 0 40 EDAB O=C1C[C@@H](CNc2nccn3cnnc23)[C@H](c2cccnc2)N1C1CC1 564904880 PKSXBUPYRRGVFN-BBRMVZONSA-N 349.398 1.683 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCCn2cnc(C)c(C)c2=O)cc1C 75166402 QDECPXNIACBXGB-UHFFFAOYSA-N 349.456 1.764 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@]2(N)CN)cc1 218630764 QPHVQXMJYZQXFE-ULQDDVLXSA-N 334.416 1.730 0 40 EDAB COc1ccc([C@H]2NNC(=O)[C@@H]2NC(=O)c2ccc(C)cc2)cc1 214341023 OMVHALIIOIIPHO-HZPDHXFCSA-N 325.368 1.478 0 40 EDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(OC)cc1 71980116 VLYBLKZFPTXBDR-OAHLLOKOSA-N 348.399 1.433 0 40 EDAB Cc1nn2c(nnc3c(=O)n(C(N)=S)ccc32)c1-c1ccccc1 40391046 ZBTXKMNCGQDHMJ-UHFFFAOYSA-N 336.380 1.506 0 40 EDAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(N)=O)ccc1C 223824451 HNBYLVJMQFEPPW-UHFFFAOYSA-N 348.380 1.681 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1 224173252 UKASFXRTPIJMEP-UHFFFAOYSA-N 348.428 1.100 0 40 EDAB O=C(N[C@@H]1C=CCCC1)N1CCC(N2CCCS2(=O)=O)CC1 575772942 DULRWCMRFOGXKG-CYBMUJFWSA-N 327.450 1.305 0 40 EDAB CC(=O)N1CCN(CCNC(=O)CSc2ccccc2C)CC1 40527810 CUNQADJTEDBAMJ-UHFFFAOYSA-N 335.473 1.367 0 40 EDAB O=C(CCc1ccccc1)N1CCCN(C(=O)c2ccon2)CC1 81811041 LFUMRKCDOHLJJQ-UHFFFAOYSA-N 327.384 1.982 0 40 EDAB COc1c2c(c(S(=O)(=O)NC(C)C)c3c1OCO3)CCN(C)C2 40309245 PXWBKAURRBEWQX-UHFFFAOYSA-N 342.417 1.099 0 40 EDAB biogenic CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC=C(Br)C1 225653510 WTKRYJAIVZIUDU-VIFPVBQESA-N 339.255 1.504 0 40 EDAB O=C(O)CCC1=NN2C=Nc3sc4c(c3[C@@H]2NC1=O)CCCC4 49601283 NJRMKRSLPFVFBV-CYBMUJFWSA-N 332.385 1.952 0 40 EDAB CN(C)c1ncc(NS(=O)(=O)c2ccc(F)cc2)c(N(C)C)n1 224341534 FAWZKUZAEGIDJM-UHFFFAOYSA-N 339.396 1.549 0 40 EDAB COC(=O)c1ncsc1S(=O)(=O)NC(=O)c1c(C)coc1C 225470816 PBRMFCIHGHKFLF-UHFFFAOYSA-N 344.370 1.258 0 40 EDAB C[C@@](CO)(NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1CC1 195540204 ICRQNYIBOZLJDU-APWZRJJASA-N 346.475 1.754 0 40 EDAB C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)c1ccn(C)n1 96109769 ZCPZBGJZHHWEAF-LBPRGKRZSA-N 329.404 1.760 0 40 EDAB COCC(=O)N1Cc2cnn(CC3CCOCC3)c2[C@@H](COC)C1 96198458 GAPFFWVZMAGMQC-OAHLLOKOSA-N 337.420 1.028 0 40 EDAB COCCN1CC2(CCN(Cc3cc(C)on3)CC2)C[C@H]1COC 96208489 BEULSADPWJXPQO-KRWDZBQOSA-N 337.464 1.932 0 40 EDAB Cc1nnc(C[C@H]2C[C@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@H]3O2)o1 96216280 FDJVXOOPHDOVLV-YWPYICTPSA-N 344.371 1.716 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H]3CO[C@H](CN4CCN(C)CC4)[C@H]3C2)o1 96056266 XQCLYWXBXNKPNZ-XYJFISCASA-N 347.459 1.313 0 40 EDAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)NC[C@H](O)c1ccco1 96436077 ANOOOECNKPVONS-HNNXBMFYSA-N 329.331 1.997 0 40 EDAB Cc1cccc(Cn2c3c(ccc2=O)C[C@H](N[C@H]2CCOC2)CC3)n1 96196623 RFOROBVGOFLRRO-AEFFLSMTSA-N 339.439 1.836 0 40 EDAB Cc1cc(C(=O)N2C[C@@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)no1 96042621 HXZWKJROXFJJON-KFWWJZLASA-N 347.346 1.968 0 40 EDAB CCc1nnc2n1C[C@H](NCc1ccccc1OCC(=O)NC)CC2 97199530 QFQKSVDXXPVGHX-CQSZACIVSA-N 343.431 1.070 0 40 EDAB Cc1cccc(NC(=O)COCc2nc(-c3cccnc3)no2)n1 96182084 PIXAOKXWDMITSX-UHFFFAOYSA-N 325.328 1.990 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc3ccco3)C1)C2 97198693 WRHWVOYLMPPBHY-KGLIPLIRSA-N 342.399 1.264 0 40 EDAB COc1ccc(CC(=O)N2CCOC[C@H](Oc3cccnc3)C2)cc1 96113194 HTLYHXMCCWKNDI-GOSISDBHSA-N 342.395 1.939 0 40 EDAB biogenic,in-vitro c1csc(CN2CCOC[C@]3(CCN(C4CCOCC4)C3)C2)n1 96062320 ZYIWHXAQLKOVSZ-QGZVFWFLSA-N 337.489 1.846 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)CC 242554627 MPSWWIWTYUUGEJ-GZBFAFLISA-N 329.393 1.234 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@]1(COC)C(N)=S 242547869 KXGCUUZIGAHKCT-BZPMIXESSA-N 331.434 1.645 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 247335368 QLEMNOFWUDRUDV-GFCCVEGCSA-N 326.443 1.513 0 40 EDAB CCc1cnc(CNC(=O)NC[C@H](C)N2CCOC[C@H]2C)s1 245289760 DZIWFYWDSUGFNV-NWDGAFQWSA-N 326.466 1.614 0 40 EDAB Cc1cc(CNC(=O)c2cc(F)ccc2N2CCN(C)CC2)n(C)n1 585081284 ZEIFNKARMJEBCO-UHFFFAOYSA-N 345.422 1.549 0 40 EDAB COCC(=O)N[C@H](C(=O)O)c1c(C)nn(-c2ccc(F)cc2)c1C 585145988 SDYNSEWCWWWLNN-HNNXBMFYSA-N 335.335 1.517 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCS[C@@H]2C(F)(F)F)c1Cl 585129289 DWAGJAHHXBQOIR-SSDOTTSWSA-N 335.760 1.699 0 40 EDAB CC[C@H]1C(=O)NCCN1Cc1sc(N2CCOCC2)nc1Cl 585116924 MLWWBJUHEICCCQ-JTQLQIEISA-N 344.868 1.344 0 40 EDAB Nc1cccc([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257271605 MYZSYIFIFWFIQW-OAHLLOKOSA-N 331.347 1.782 0 40 EDAB CC(C)(C)c1cc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)[nH]n1 257290670 QDWACZDHQQJQHJ-XNRPHZJLSA-N 334.464 1.815 0 40 EDAB O=C(Cc1cccs1)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257258710 KVEOTRDHJQWFOC-LBPRGKRZSA-N 333.413 1.504 0 40 EDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2cnccn2)nc1 257231599 GHKVGOXLSYAHML-MRXNPFEDSA-N 325.372 1.485 0 40 EDAB O=C(c1ccnnc1)N1CCOC[C@H](Cc2nccn3cccc23)C1 257273447 NGPVDKWAXGTADJ-CQSZACIVSA-N 337.383 1.456 0 40 EDAB Cc1cccc(N2CCC[C@H](NC(=O)CCc3ccnn3C)C2)n1 257271205 MXHUXPHCDHPQIN-HNNXBMFYSA-N 327.432 1.841 0 40 EDAB CN(C)c1nc([C@H]2CCN(C(=O)c3ccncc3)C2)cn2nccc12 257310949 UHHPYYTUPLPYIX-AWEZNQCLSA-N 336.399 1.820 0 40 EDAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3cc(O)nc(O)n3)C2)n1 257297939 RJKXZRSOUNMDKC-GFCCVEGCSA-N 343.387 1.332 0 40 EDAB CNc1cc(CC[C@@H]2CN(CC3(O)CCOCC3)CCO2)ccn1 257322394 WFUBPJJASGJLGG-MRXNPFEDSA-N 335.448 1.298 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCNC[C@H]2c2ccccc2)c1C 257263710 LRCZAZZEXYIVMN-HNNXBMFYSA-N 334.445 1.547 0 40 EDAB CNC(=O)c1cnn2c([C@@H]3CCN(Cc4cncs4)C3)ccnc12 257202246 ALAOWWYSMNPIAV-LLVKDONJSA-N 342.428 1.535 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1ccno1 257312522 UOIVVYCVETXOLY-ZDUSSCGKSA-N 329.360 1.386 0 40 EDAB Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN2c2cnccn2)n1 257206558 BDZUEONCADSSTM-KRWDZBQOSA-N 326.404 1.792 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)n1 257301311 RXXRYZLMDSNJFD-OAHLLOKOSA-N 329.404 1.606 0 40 EDAB CN(CCC(=O)O)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 262373674 MLBNDPLSLTULFD-UHFFFAOYSA-N 325.308 1.887 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 260743589 MGLPRAHLJWHNAT-RYUDHWBXSA-N 328.434 1.764 0 40 EDAB Cc1c(-c2noc([C@H]3CC[C@H]4CCCCN43)n2)c(O)nc(=O)n1C 1615003618 YAPTXLMSYJHMRL-GHMZBOCLSA-N 331.376 1.534 0 40 EDAB CCn1cc(CN(C)C(=O)[C@]2(N)CCc3c(OC)cccc32)cn1 1615615879 SWZCVPFXVOGZGD-SFHVURJKSA-N 328.416 1.670 0 40 EDAB C[C@@H]1CN(C(=O)c2oc3ccccc3c2Cn2cccn2)CC(=O)N1 1615627409 YRPGCMPPGNBFOC-GFCCVEGCSA-N 338.367 1.638 0 40 EDAB CC[C@H]1CN(c2nnnn2Cc2ccn(C(C)C)n2)C[C@@H](CC)O1 1616033047 ZEKZUIGXBUCKPI-GASCZTMLSA-N 333.440 1.893 0 40 EDAB CCc1noc(CC)c1CNC(=O)c1ccsc1S(N)(=O)=O 1616039182 YERGHRBXOQCYJV-UHFFFAOYSA-N 343.430 1.438 0 40 EDAB CCCCn1nc(C(=O)NC[C@@H]2CCOC2)c2ccccc2c1=O 41376657 JLPHCEUBHOGHJN-ZDUSSCGKSA-N 329.400 1.963 0 40 EDAB O=C1CCOc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)O)C3)cc21 568599096 YMZUKWAJZUKOFR-JTQLQIEISA-N 339.369 1.137 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1nc(C)n(C)c1=O 585090264 NHRGXZFDMFPTSN-UHFFFAOYSA-N 340.387 1.331 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 585103426 BGOUHEAEXLPIAY-CYBMUJFWSA-N 335.491 1.339 0 40 EDAB Cn1ccc(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)n1 585269535 YEKWTUAMBSJKNX-KRWDZBQOSA-N 335.379 1.202 0 40 EDAB CN(C)c1cnc(C(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)cn1 679445321 ZRTFUYMIKCWJON-LBPRGKRZSA-N 342.403 1.823 0 40 EDAB C[C@H]1CCCN(C(=O)CS(=O)(=O)Cc2nc(C3CC3)no2)C1 46137232 QKZCZCXVNFVRDD-JTQLQIEISA-N 327.406 1.120 0 40 EDAB CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1)N1CCOCC1 54456384 FOZXIISORYTBEI-AWEZNQCLSA-N 349.431 1.111 0 40 EDAB CCN(CC)C(=O)N1CCN(C(=O)c2ccc(NC3CC3)nc2)CC1 57208097 BYYZFMKPRYOYSL-UHFFFAOYSA-N 345.447 1.876 0 40 EDAB COc1ccc(-c2nc(CCNC(=O)CCNC(C)=O)co2)cc1 69454014 JMVOLIYWVAFYJI-UHFFFAOYSA-N 331.372 1.535 0 40 EDAB O[C@@H](CN1CCN(Cc2nnc(C3CC3)o2)CC1)c1ccccc1 69667547 BWWPFDFXLLPADU-INIZCTEOSA-N 328.416 1.798 0 40 EDAB Cc1nc([C@H](NC(=O)CNC(=O)c2ccccc2)c2ccccc2)n[nH]1 69700902 ASGKPBIOHRCLBJ-QGZVFWFLSA-N 349.394 1.749 0 40 EDAB O=C(CCc1cn[nH]c1)NC[C@H](c1cccs1)N1CCOCC1 585124262 DQAYZKSJCBNDAA-CQSZACIVSA-N 334.445 1.594 0 40 EDAB Cc1cc(N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)ncn1 585610203 AKTPPOHQGHQGRV-GASCZTMLSA-N 336.443 1.945 0 40 EDAB C[C@@H]1OC2(CCN(C(=O)c3cc(F)cc4cccnc34)CC2)NC1=O 1615592360 SUWWFKWBQJYOER-NSHDSACASA-N 343.358 1.841 0 40 EDAB CC(C)N1CCC(CNC(=O)c2cnc(N3CCOCC3)nc2)CC1 12196060 APKYFBLHJFDXPQ-UHFFFAOYSA-N 347.463 1.163 0 40 EDAB COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](N3CCCCC3)[C@H]2O)cc1 12529597 FTLRJGLINDBUQU-IEWDOMPSSA-N 348.443 1.124 0 40 EDAB biogenic,in-vitro O=C(CN1CCCC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19292007 SQZYSYGLQHNKOE-OAHLLOKOSA-N 344.459 1.381 0 40 EDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 169363837 GENUUNAQQVCPOX-FPCVCCKLSA-N 327.336 1.731 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 225627264 ZAAQQPTUPPHLOW-OAHLLOKOSA-N 342.436 1.354 0 40 EDAB Cn1cncc1CN1CCOC[C@@](O)(COc2cccc(F)c2)C1 643914675 VTCLVFXRANDXFH-QGZVFWFLSA-N 335.379 1.202 0 40 EDAB CCCCn1c(N)c(N(C)Cc2cccc(F)c2F)c(=O)[nH]c1=O 11237585 XCJQIQCHBHSYCM-UHFFFAOYSA-N 338.358 1.834 0 40 EDAB COc1ccc(NC(=O)[C@H](C)n2nc(C(F)(F)F)ccc2=O)cn1 1888904287 BKRZDZUZCIYJFW-QMMMGPOBSA-N 342.277 1.865 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN(Cc2ccccc2)C2CC2)C1=O 26918450 LNMLJYIQVNHGOY-GOSISDBHSA-N 344.415 1.403 0 40 EDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCn2nccc2C1 239579086 DEMUVEVUGYDPKT-NEPJUHHUSA-N 329.356 1.510 0 40 EDAB Cc1cc(Br)cc(C(=O)N2CCN3CCOC[C@H]3C2)c1 390833644 KTZCWUXBYBPWPR-CQSZACIVSA-N 339.233 1.914 0 40 EDAB CC(C)(C)n1ncc2c(=O)n(NC(=O)Cc3ccccc3)cnc21 10250893 PXZYHPFFQWIHLW-UHFFFAOYSA-N 325.372 1.661 0 40 EDAB CNC(=O)[C@@H]1CCc2ncc(CNC(=O)[C@H]3CC[C@H](C)CC3)n2C1 2055718001 SPJICPOHZNFEKP-MGPQQGTHSA-N 332.448 1.634 0 40 EDAB CCOC(=O)N1CCC(NC(=O)C(=O)Nc2ccccc2F)CC1 38490195 IVNQHWNHGFZVHI-UHFFFAOYSA-N 337.351 1.501 0 40 EDAB COC(=O)c1ccc(C(=O)N[C@H]2CCN(c3nccs3)C2)cc1 206808847 ZOVZLAQCADPAGB-ZDUSSCGKSA-N 331.397 1.938 0 40 EDAB COC(=O)c1ccc2c(=O)n(CCCCCC(=O)O)c(=O)[nH]c2c1 2952272 WYUNRUMHEVHWEV-UHFFFAOYSA-N 334.328 1.121 0 40 EDAB Cc1nn(C)cc1C1=NO[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 103504626 WOUHGFYZNXQCSH-JSGCOSHPSA-N 344.758 1.674 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCCn3cccn3)CC2=O)c(F)c1 40508933 PBMWPLCRGDMHOR-CQSZACIVSA-N 344.390 1.890 0 40 EDAB COC(=O)CCNC(=O)Nc1ccccc1C(=O)N1CCCCC1 32096100 FGJYXISOMYNUQO-UHFFFAOYSA-N 333.388 1.997 0 40 EDAB C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(N)=O 4288290 ZFKZLIFJTSJXSE-ZETCQYMHSA-N 340.788 1.702 0 40 EDAB C[C@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)n1cncn1 45884592 UVSVKUIEAXLPSG-CQSZACIVSA-N 329.404 1.334 0 40 EDAB COc1ccccc1NC(=O)CCc1c(C)nc2ncnn2c1O 20856467 OFNJUANZECNJLO-UHFFFAOYSA-N 327.344 1.718 0 40 EDAB COc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cn1 16233394 VTVSLWPWPHPXNG-UHFFFAOYSA-N 341.411 1.927 0 40 EDAB COc1ccccc1NC(=O)NN1C(=O)NC2(CCCCC2)C1=O 8429368 MTNUHAWYMBEEOD-UHFFFAOYSA-N 332.360 1.986 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c1C 32819561 AXDIXEGTJVZETO-HNNXBMFYSA-N 339.395 1.887 0 40 EDAB CC(C)CN1C[C@H](C(=O)N2CCN(c3nccs3)CC2)CC1=O 29783122 PXCLBBZJLDQZNR-CYBMUJFWSA-N 336.461 1.296 0 40 EDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCN(Cc2ccccc2)CC1 22024899 SPGOHPBHGPLLKD-ZDUSSCGKSA-N 329.366 1.871 0 40 EDAB Cc1cccc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)n1 9834536 DTACEXCGICKQMX-UHFFFAOYSA-N 333.413 1.734 0 40 EDAB Cc1cc(C)n(CC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)n1 42002372 XQPHULQFLIYZDO-INIZCTEOSA-N 346.431 1.591 0 40 EDAB Cc1cc(C)n2cc(CN3CCC[C@H](Cn4cncn4)C3)nc2n1 69626908 PAIOXNNZEPNZGB-HNNXBMFYSA-N 325.420 1.850 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@H](n3ccnc3)C2)CN1Cc1ccco1 69659573 BMRMUNOQZRCEOI-GJZGRUSLSA-N 342.399 1.688 0 40 EDAB Cc1ccc2c(CC(=O)NCCN3C(=O)CNC3=O)coc2c1C 69698321 LTHQJFONKZMGDT-UHFFFAOYSA-N 329.356 1.260 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc2ccccc2n1 103812594 IZDFXCAKFKLZKP-LUVWLHFXSA-N 347.374 1.980 0 40 EDAB Cc1cc(N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)nc(C)n1 42103026 SNBJNEUSMOSLMB-OKILXGFUSA-N 332.448 1.946 0 40 EDAB CCc1nc(N2CCN(C(=O)C(C)C)CC2)c2c(n1)c(C)nn2C 28557631 KIEQPDBUMMLPSK-UHFFFAOYSA-N 330.436 1.539 0 40 EDAB CC1CCN(Cc2csc(NC(=O)c3nccnc3N)n2)CC1 23043179 AEVGIGFUBQXUCM-UHFFFAOYSA-N 332.433 2.000 0 40 EDAB CCC[C@H]1NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2)C1=O 42756928 HFIGANMFSLRXRE-DGCLKSJQSA-N 326.780 1.800 0 40 EDAB CCOc1ccc(CN(C)C(=O)NCc2nnc3n2CCC3)cc1 55077994 QYHWCYUNXRDBLD-UHFFFAOYSA-N 329.404 1.965 0 40 EDAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC1CCCC1 61721761 MTKJICPISDVFGQ-HNNXBMFYSA-N 344.459 1.966 0 40 EDAB O=C(NC1CCCCC1)NC1CCN(C(=O)c2ccc[nH]c2=O)CC1 55410183 WCVOQBDFTFKAKI-UHFFFAOYSA-N 346.431 1.611 0 40 EDAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCC[C@H]1Cn1cccn1 106778183 HYSUTCMHVLXDMJ-HOTGVXAUSA-N 340.431 1.581 0 40 EDAB CC1(C)C(=O)N(CC(=O)NCCCN2CCOCC2)c2ccccc21 57355634 UGDRJVYPHZTMGP-UHFFFAOYSA-N 345.443 1.149 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 26102560 HTSIINWNFDGKTD-VOTSOKGWSA-N 348.424 1.986 0 40 EDAB NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21 57486422 RYQGSHDASUTYFG-UHFFFAOYSA-N 349.799 1.412 0 40 EDAB CCO[C@@H]1C[C@@H](NC[C@@]2(N3CCOCC3)CCSC2)C1(C)C 108461787 PMELSFXWFFYALK-INMHGKMJSA-N 328.522 1.988 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC2(CC1)OCCO2 26934014 BTIVOGGOAWDXHB-KBPBESRZSA-N 339.436 1.230 0 40 EDAB CC1(C)NC(=O)N(CCN2CCN(Cc3ccsc3)CC2)C1=O 26908866 IBKZWCKOOLIXHK-UHFFFAOYSA-N 336.461 1.196 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(=O)n2nccc2[nH]1 108867944 LRTIUEWMMWBVCS-CQSZACIVSA-N 326.404 1.710 0 40 EDAB Cn1nc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)ccc1=O 10032459 ANDBIVAYPNQSKH-UHFFFAOYSA-N 326.356 1.059 0 40 EDAB O=C1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CCN1Cc1ccccc1 58195457 LFAIJNRDZZKJIX-INIZCTEOSA-N 348.399 1.905 0 40 EDAB CCOC(=O)C1=C(CNCCCOC)NC(=O)N[C@@H]1c1ccccc1 58158717 ZJPBTZRLSXOEGE-MRXNPFEDSA-N 347.415 1.484 0 40 EDAB CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229565 XEQPEGSCLCICES-CQSZACIVSA-N 340.445 1.683 0 40 EDAB NS(=O)(=O)Cc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1 10163939 GNFMASCUMPGJBF-UHFFFAOYSA-N 344.396 1.281 0 40 EDAB NC(=O)[C@H]1c2ccccc2CCN1Cc1cc(=O)n2ccccc2n1 69780464 PCDCLGYJNOZDOI-GOSISDBHSA-N 334.379 1.279 0 40 EDAB CC(C)NC(=O)Cn1c(-c2cccc(Br)c2)noc1=O 58210857 IIUFTXKYEWVTKX-UHFFFAOYSA-N 340.177 1.790 0 40 EDAB CS[C@@H](C)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 58282575 AXNISVVHDIPLTR-SWLSCSKDSA-N 336.457 1.963 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)COc2ccc3c(c2)CCC(=O)N3)C1 44940204 DQMUJZZPGXLYSW-CQSZACIVSA-N 345.443 1.798 0 40 EDAB CN(Cc1ccccc1)C(=O)CN1CCN(c2cnccn2)CC1 44906693 BFWIZPTZMHIETI-UHFFFAOYSA-N 325.416 1.257 0 40 EDAB O=C1NCCN1C1CCN(Cc2cnn(-c3ccccc3)c2)CC1 44976172 SRDVAFVIRPCHPK-UHFFFAOYSA-N 325.416 1.862 0 40 EDAB Cc1cc(CSc2ncccc2C(=O)N[C@H](C)C(=O)N(C)C)no1 44952417 BQKYIIGFTDMOEA-LLVKDONJSA-N 348.428 1.877 0 40 EDAB O=C(CCNC(=O)c1c[nH]c2ccccc12)N[C@@H]1CCCCNC1=O 48103355 VYLOLCLYKLTBIZ-OAHLLOKOSA-N 342.399 1.073 0 40 EDAB COc1cc(C(=O)OCC(=O)NC2CCCC2)cc2c1OCCO2 7939083 BAAGOGQHAYKEGW-UHFFFAOYSA-N 335.356 1.682 0 40 EDAB CN1CCO[C@H](CNS(=O)(=O)c2ccccc2-c2ccccc2)C1 58342382 WMOITBIVBOGEJH-MRXNPFEDSA-N 346.452 1.963 0 40 EDAB COc1c(CNCC(C)(C)N2CCN(C)CC2)c(C(C)C)nn1C 58391406 SIKOCSWLJNKLKD-UHFFFAOYSA-N 337.512 1.668 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCCc2ccc(-n3cccn3)cc2)C1 27968460 SNWOAYLWDUXIJI-HNNXBMFYSA-N 348.472 1.981 0 40 EDAB C[C@H](NC(=O)NCCc1cnn(-c2ccccc2)c1)C(=O)N(C)C 45413123 GGKTYOQLOMRORQ-ZDUSSCGKSA-N 329.404 1.191 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccnc(N3CCCC3)c2)C1 48273184 VVXOWAYTCRFGEC-MRXNPFEDSA-N 345.447 1.492 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cccnc2N2CCOCC2)C1 48221339 PEGKRNBJBHAZGG-HZPDHXFCSA-N 346.475 1.626 0 40 EDAB C[C@@H]1CN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCO1 48275357 YQHHKWUSKDTGNI-GFCCVEGCSA-N 325.372 1.330 0 40 EDAB O=C(NCc1ccccc1CN1CCCC1=O)c1ccc[nH]c1=O 48253689 GGTPXAXQKVACEB-UHFFFAOYSA-N 325.368 1.427 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Cn2nnc3ccccc32)n1 48353892 MTIUOAPLCQAEOJ-LBPRGKRZSA-N 326.404 1.697 0 40 EDAB COc1ccc(CC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 3436548 MIOZNCJNHHQDMV-UHFFFAOYSA-N 342.351 1.519 0 40 EDAB COCCNC(=O)COc1ccccc1C(=O)NCc1ccccc1 12983343 PHUYXFMFKOUHAQ-UHFFFAOYSA-N 342.395 1.758 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 8270533 QCOFYEOLOMAGRL-KXBFYZLASA-N 341.411 1.901 0 40 EDAB CC(=O)Nc1nc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)cs1 69349996 PCUFRQYQKSSJST-OAHLLOKOSA-N 349.460 1.816 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)c2nccc3ccccc23)CC1 63501801 QTISAXNXSQUKOH-UHFFFAOYSA-N 347.440 1.779 0 40 EDAB CCN1CC[C@H](NCC2CC2)[C@@]2(CC(C(=O)NCC3CC3)=NO2)C1 306132892 LVJIJMMMLVLWAP-FUHWJXTLSA-N 334.464 1.122 0 40 EDAB O=C(COc1ccccc1)N1CCN(C(=O)CC(F)(F)F)CC1 64068236 QKDVTNFTSTWCEH-UHFFFAOYSA-N 330.306 1.689 0 40 EDAB Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C 6129641 PHFRXLBLTDWZCM-UHFFFAOYSA-N 331.445 1.564 0 40 EDAB Cc1cccc(-n2c(O)c([C@@H]3NCCc4ccccc43)c(=O)[nH]c2=O)c1 5123777 WDEPBCAYAKSPNF-QGZVFWFLSA-N 349.390 1.775 0 40 EDAB C[C@@H](NC(=O)CNC[C@H]1CN(C)CCO1)c1ccc(Cl)cc1 69873329 QJUZWNOIIQJOLH-DOMZBBRYSA-N 325.840 1.437 0 40 EDAB COc1ccc(CNCCNC(=O)Cc2ccc(F)cc2)cc1O 69869684 NIEDGZSFAPXREC-UHFFFAOYSA-N 332.375 1.988 0 40 EDAB Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cc1 65552142 GRKYAIJFEYJEPO-CQSZACIVSA-N 340.470 1.681 0 40 EDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)OC(C)(C)C 65517356 YRIYUYJECHFPSM-JTQLQIEISA-N 326.418 1.427 0 40 EDAB Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)NC[C@@H]1CCCO1 65567682 VHTQQVRBDNZZFR-NSHDSACASA-N 346.836 1.685 0 40 EDAB CC[C@H](CO)NC(=O)c1ccc(NCC(=O)N[C@@H](C)C(C)C)cc1 65503575 OCPZDSMHHIHZTJ-DZGCQCFKSA-N 335.448 1.760 0 40 EDAB Cc1ccc(NC(=O)C2CCN(C[C@@H](O)Cn3cccn3)CC2)nc1 69844372 QVHWLQVJDMDPRX-MRXNPFEDSA-N 343.431 1.298 0 40 EDAB Cc1nc(NC(=O)CSc2nncn2N)c(Cl)cc1Cl 14183081 OFXLINUTOZJJNY-UHFFFAOYSA-N 333.204 1.733 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@H](C)Sc1ncnc2c1cnn2C 14151155 QLHDERZABXUGIN-VIFPVBQESA-N 336.421 1.326 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 65610022 ABDJJAJEFPQGLH-INIZCTEOSA-N 338.411 1.971 0 40 EDAB CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14250541 SMILBEVPMDZHBY-QMMMGPOBSA-N 347.404 1.543 0 40 EDAB CC(C)N1CCO[C@H](CSc2nnnn2C[C@@H]2CCCO2)C1 69919728 WAZDTFRQMQWREV-STQMWFEESA-N 327.454 1.053 0 40 EDAB C[C@H](NC(=O)NC[C@@H]1COCCO1)c1cccc(N2CCOC2=O)c1 65990911 NZPMFNSLBUSODQ-SWLSCSKDSA-N 349.387 1.419 0 40 EDAB Cc1nnc(COC(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)o1 69968151 KRRDTODNWKEERX-LBPRGKRZSA-N 348.378 1.771 0 40 EDAB COC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]12 4897920 ISVZPONKNMOQDX-ZUZCIYMTSA-N 335.747 1.029 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cn1 66798099 AGNXOELRKMRCIK-ZIAGYGMSSA-N 325.372 1.906 0 40 EDAB COc1ccccc1N1CCN(Cc2oc(C)cc(=O)c2O)CC1 71283403 RKUYSXDNSFJDNK-UHFFFAOYSA-N 330.384 1.985 0 40 EDAB O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(F)cc1F 70958296 FZPLTRYMAQBVQV-CYBMUJFWSA-N 327.352 1.847 0 40 EDAB CC(C)C[C@H]1NC(=O)N(CC(=O)NCCSc2ccccc2)C1=O 9053110 LWFUHBQPIZNDRZ-CQSZACIVSA-N 349.456 1.861 0 40 EDAB O=C(c1ccnc(Cl)c1)N1CCN(Cc2noc(C3CC3)n2)CC1 96405364 FTSNTGGACLIPGK-UHFFFAOYSA-N 347.806 1.953 0 40 EDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NCCc1cccnc1 71818800 LBLMSTIILFFMRC-UHFFFAOYSA-N 349.394 1.437 0 40 EDAB COC(=O)CN(CCCOc1ccc(OC)cc1)Cc1cnn(C)c1 71899845 WIAFVCWODHQFQY-UHFFFAOYSA-N 347.415 1.873 0 40 EDAB NC(=O)[C@@H](CNC(=O)COc1cccc(F)c1)Cc1ccc(F)cc1 71826891 ADCVCBSHVXURRM-CYBMUJFWSA-N 348.349 1.804 0 40 EDAB COc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)cc2c1OCCO2 71866243 RHCHSCHKOFJMCY-AWEZNQCLSA-N 343.383 1.968 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 71881815 MUFROLCRCVWZIU-JQHSSLGASA-N 332.444 1.714 0 40 EDAB Cc1nccn1CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 71883245 KUYMBXGEHVZTOV-AWEZNQCLSA-N 344.390 1.890 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)CN(C)Cc3ccccc3)CCO2)n1 72299672 CMRHKSBLNQBXKW-OAHLLOKOSA-N 329.404 1.145 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)on1 72296459 VVKZZZIWWGPHLH-LBPRGKRZSA-N 338.408 1.863 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 72280845 OQLIKKSUAMQGIF-GZMMTYOYSA-N 347.341 1.252 0 40 EDAB CN(CCN1C(=O)CCC1=O)[C@H]1CCN(c2ccccc2F)C1=O 75610713 CIWIQNMNUXPYHS-AWEZNQCLSA-N 333.363 1.012 0 40 EDAB C[C@@H](C(=O)N1CCc2nnc(N)cc2C1)n1c(=O)oc2ccccc21 72279477 ANBXVXOCUVSJRB-JTQLQIEISA-N 339.355 1.113 0 40 EDAB CC(C)n1nnnc1CN1CCOC[C@H]1CC(=O)c1cccs1 97096042 BSFHXXWJXTYKSC-GFCCVEGCSA-N 335.433 1.789 0 40 EDAB Cn1cc([C@@H](O)CNC(=O)Nc2ccnn2C2CCCCC2)cn1 76070234 MBGKLLJNTJECTF-AWEZNQCLSA-N 332.408 1.977 0 40 EDAB COc1cc2nc(N3CCC[C@H](N(C)C)C3)nc(N)c2cc1OC 78617823 YNYSGMMDIDQTEM-NSHDSACASA-N 331.420 1.760 0 40 EDAB CCCN1CCC(NC(=O)N2CCN(Cc3cccnc3)CC2)CC1 78657028 MKDMXIKCMZANRB-UHFFFAOYSA-N 345.491 1.783 0 40 EDAB COC(=O)Cn1ncc2c(N3CCC[C@@H]4COCC[C@@H]43)ncnc21 95411587 XANWLFCVLXDOFB-YPMHNXCESA-N 331.376 1.005 0 40 EDAB O=C(NCCCCN1CCN(c2ncccn2)CC1)NC1CC=CC1 95414001 JSCXEWPLOHJVJC-UHFFFAOYSA-N 344.463 1.397 0 40 EDAB CCn1c(=O)n(CC(=O)N2C[C@@H](N(C)C)[C@H](C)C2)c2ccccc21 78895677 FOVYDPJZMUJNIZ-CZUORRHYSA-N 330.432 1.231 0 40 EDAB Cc1cccc(N2CCN(C(=O)c3nccn4ccnc34)[C@@H](C)C2)n1 73726984 SAQSQZMCJCYTMV-AWEZNQCLSA-N 336.399 1.784 0 40 EDAB COc1ccc(-n2cc(CNc3cnn(C)c(=O)c3Cl)nn2)cc1 88740636 DCLPBGKGPKNSSQ-UHFFFAOYSA-N 346.778 1.635 0 40 EDAB O=S(=O)(CCc1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 75105857 BQQFLJSBQUSGQY-QGZVFWFLSA-N 338.473 1.213 0 40 EDAB CNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 408706037 UAQHSAIECCBVSK-UHFFFAOYSA-N 326.418 1.475 0 40 EDAB O=C1COc2cc(C(=O)OCc3nnsc3Cl)ccc2N1 20989603 CMIYQVKJVHVIQX-UHFFFAOYSA-N 325.733 1.879 0 40 EDAB Cc1ccc(CN2Cc3ccnn3[C@H](C(=O)N3CC(F)(F)C3)C2)o1 306136649 PZFWSWABNTTXJF-AWEZNQCLSA-N 336.342 1.819 0 40 EDAB CCCS(=O)(=O)N1CCC(N[C@@H](c2nccn2C)C2CC2)CC1 127574198 IQPQPCARWJUGOE-OAHLLOKOSA-N 340.493 1.665 0 40 EDAB COc1ccc(C(=O)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(O)c1 408621066 LDRLDNGRJLNJLL-FVCRMDICSA-N 339.347 1.594 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)c(C)c1 408660488 QAXKIBAOMJAANN-HLOHAYJMSA-N 343.379 1.983 0 40 EDAB CN1CCC[C@]2(CCN(C(=O)NCc3cnn4ccccc34)C2)C1 516731978 BBXUWGGXUIHPEB-SFHVURJKSA-N 327.432 1.962 0 40 EDAB Oc1nncc(N2CCN(Cc3nccn3C(F)F)CC2)c1Cl 75047612 KKTJMVGEHOBCTC-UHFFFAOYSA-N 344.753 1.749 0 40 EDAB Cc1occc(=O)c1OCc1ccc(-c2noc(C(N)=O)n2)cc1 32087639 RZJUAGXNVOOFNS-UHFFFAOYSA-N 327.296 1.676 0 40 EDAB Nc1ncnc2[nH]c(SCC(=O)N3CCc4ccccc4C3)nc12 35315507 CTHHYIYHINYXPH-UHFFFAOYSA-N 340.412 1.612 0 40 EDAB O=C(c1cnccn1)N1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 72377787 VNMYEGKVNFZMPF-CQSZACIVSA-N 348.370 1.778 0 40 EDAB CNC(=O)CCc1cc(C)nc([C@H]2CCCN2c2ncccn2)n1 72367017 SBIZNAGIRGHDJF-CQSZACIVSA-N 326.404 1.595 0 40 EDAB Nc1ncc(Cl)cc1S(=O)(=O)N1CC2(CCC2)[C@H]2COC[C@@H]21 566844602 AVINOWUDNHMYKP-QWRGUYRKSA-N 343.836 1.507 0 40 EDAB O=C(Cc1nsc2ccccc12)N1CCN(Cc2ncc[nH]2)CC1 573359838 LYCVRIFLWXKNPX-UHFFFAOYSA-N 341.440 1.906 0 40 EDAB Cn1nc(CNS(=O)(=O)c2ccccc2F)c2ccccc2c1=O 75148993 ARPAAZRMAUHWAU-UHFFFAOYSA-N 347.371 1.551 0 40 EDAB Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCOCC3)cc2)n1 528061353 ZOYDDLLIVYKJTI-UHFFFAOYSA-N 339.395 1.792 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCc1ccc(F)cc1 96344541 ACEJAXKSIHLMFI-UHFFFAOYSA-N 329.375 1.968 0 40 EDAB c1ccc(CN2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)nc1 96062333 MYCPVSZKMNYZCV-IBGZPJMESA-N 331.460 1.785 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(-c2ccncc2)noc1=O 193457050 CXOWRKPLPMWRSQ-GFCCVEGCSA-N 336.351 1.876 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCc2nc(N3CCCC3)nc(N(C)C)c2C1 96253996 UVLMMARWGAEGAA-STQMWFEESA-N 329.448 1.684 0 40 EDAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)Cc1ccccn1)C2 96201065 QZINYZFDSDISNK-UHFFFAOYSA-N 327.432 1.703 0 40 EDAB Cc1cccc(=O)n1CCCCNC(=O)N1CCOC[C@@H]1C1CC1 96485513 LAWLTGFAFHUMBE-MRXNPFEDSA-N 333.432 1.757 0 40 EDAB C[C@@H](N1CCN(S(=O)(=O)C2CCOCC2)CC1)C(F)(F)F 96454030 CEONSILVDFWNBW-SNVBAGLBSA-N 330.372 1.064 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)no1 96042249 YTFJJAXNVFOPFM-YESZJQIVSA-N 343.383 1.967 0 40 EDAB CCn1c(C)nnc1CS(=O)(=O)c1ncccc1Br 90989394 AYHDJFNFBPGXBR-UHFFFAOYSA-N 345.222 1.738 0 40 EDAB C[C@@H](c1nnnn1-c1ccccc1)N1CCC(Cn2ccnn2)CC1 96483876 SBDVPFCIZSRAIQ-AWEZNQCLSA-N 338.419 1.727 0 40 EDAB Cc1nc(Nc2ccccn2)cc(N2CCN(S(C)(=O)=O)CC2)n1 90607967 FBXYFNBBGPMTLH-UHFFFAOYSA-N 348.432 1.005 0 40 EDAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2S(=O)(=O)C2CC2)cn1 96200711 LAGPXIULQCSXKW-HOTGVXAUSA-N 339.461 1.324 0 40 EDAB Cn1cccc1C(=O)N1CCC2(CCCN2S(C)(=O)=O)CC1 96159401 MSOHWUWMGGZSDA-UHFFFAOYSA-N 325.434 1.055 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)c2c(F)cccc2Cl)n1 96420586 JHMWBUQLBNFCJI-UHFFFAOYSA-N 345.783 1.973 0 40 EDAB COCCS(=O)(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 96407712 UCULWPMSPMMWRO-AWEZNQCLSA-N 326.462 1.778 0 40 EDAB O=C(NC1CC1)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1 96070395 PKZCWMDIHUGIFR-MRXNPFEDSA-N 336.461 1.539 0 40 EDAB COc1cccc(CN2CC3(C[C@@H](OCC(=O)N(C)C)CCO3)C2)c1 248047304 WSAGVPOEPAFCCT-KRWDZBQOSA-N 348.443 1.533 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2Cc2nccc(N)n2)cc1 583615518 BPWRFTILGZBNNU-YJBOKZPZSA-N 328.416 1.940 0 40 EDAB COc1ccccc1CN1Cc2ccnn2[C@@H](C(=O)NC(C)C)C1 248031545 XRKNYQPUGOIBGQ-MRXNPFEDSA-N 328.416 1.973 0 40 EDAB Cc1csc(C(=O)N(C)C[C@]2(O)CCN(c3cnccn3)C2)c1 257246779 IVUSCYNIZVJWAV-MRXNPFEDSA-N 332.429 1.560 0 40 EDAB O=C(c1ccncc1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257270616 MUYJBFMLWFVZSQ-HXUWFJFHSA-N 337.423 1.717 0 40 EDAB COCc1c(C(=O)N2CCO[C@@H](c3cc(O)nc(C)n3)C2)noc1C 257213483 CHTIVQKBAAPEMI-CYBMUJFWSA-N 348.359 1.147 0 40 EDAB CC1CCN(CC(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)CC1 257224954 FECSAWBIDCABFN-INIZCTEOSA-N 348.447 1.074 0 40 EDAB CNc1nccnc1[C@H]1CN(S(=O)(=O)c2cccs2)CCO1 257250361 JMFRQLQNLSVDCG-SNVBAGLBSA-N 340.430 1.342 0 40 EDAB COC(C)(C)C(=O)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257238858 HMVNXXWKPFJIMM-ZDUSSCGKSA-N 332.404 1.172 0 40 EDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2csc(C)n2)c1 257201455 AHUOEXNPZKGWLU-INIZCTEOSA-N 330.457 1.958 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCC[C@@H](c3ccncn3)C2)ccn1 257316001 VDRIGKUAMRRYHY-CQSZACIVSA-N 325.372 1.850 0 40 EDAB C[C@@H]1NC(=O)[C@H](C)N(C(=O)NCCCOCC(F)(F)F)[C@H]1C 585137576 HJYHNRTUNAAAJQ-GUBZILKMSA-N 325.331 1.262 0 40 EDAB Cc1cc(C)cc(OS(=O)(=O)CCCN2CCN(C)CC2)c1 585114865 CUTNEXLAFMLDSG-UHFFFAOYSA-N 326.462 1.650 0 40 EDAB COc1ccc(S(=O)(=O)NCc2ncc3c(n2)CCC3)c(C)c1 585115010 IYUDFQQDCNMBSI-UHFFFAOYSA-N 333.413 1.761 0 40 EDAB CO[C@@H]1CCC[C@@H](NC(=O)COc2ccc(F)c(Cl)c2)[C@H]1O 257300594 RUYGNARWBXTAJN-UMVBOHGHSA-N 331.771 1.903 0 40 EDAB CN(CC1CCC1)c1nnnn1Cc1cnn(CC(F)(F)F)c1 1616031829 CEYLJLPVYWIEFM-UHFFFAOYSA-N 329.330 1.717 0 40 EDAB CCn1cnnc1CNC(=O)CC[C@H]1Cc2ccccc2NC1=O 47020587 SKTKTGQXJUEJSR-ZDUSSCGKSA-N 327.388 1.505 0 40 EDAB O=C(Cn1ccc2ccc(Cl)cc21)NCC(=O)Nc1cn[nH]c1 51412852 MNAHVACXYRFMLA-UHFFFAOYSA-N 331.763 1.773 0 40 EDAB NC(=O)CN1CCCN(C(=O)c2cc3c(F)cccc3s2)CC1 71829397 JAOMOOKJLPLMLF-UHFFFAOYSA-N 335.404 1.674 0 40 EDAB C[C@@H]1CN2CCC[C@@H]2CN1Cc1ccnc(N2CCSCC2)n1 72324742 YLYPAVACJISXTG-GDBMZVCRSA-N 333.505 1.698 0 40 EDAB Cc1cc(NCCNC(=O)[C@H]2C[C@@H]2c2ccccc2)n2ncnc2n1 95960406 APXINQPXFJIXLA-CABCVRRESA-N 336.399 1.765 0 40 EDAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccncc2)Oc2ccccc21 40553407 AWTLEBUOCXBQND-CQSZACIVSA-N 333.369 1.247 0 40 EDAB CC(C)CNC(=O)COC(=O)c1cc(Br)ccc1N 4246247 FGSNRLKMPVCVJW-UHFFFAOYSA-N 329.194 1.960 0 40 EDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccccc1F 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0 40 EDAB COCC(=O)N1CCO[C@@H]2C[C@@H](COCc3cccc(C)n3)C[C@H]21 2055729839 SYQLFEORUKKDMN-USXIJHARSA-N 334.416 1.559 0 40 EDAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](N2CCOCC2)CO3)cn1 2055772172 DADSGSUCMOATNV-KRWDZBQOSA-N 345.443 1.486 0 40 EDAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)C(=O)Nc1ccon1 1775966645 RGBZZYBJDGLOSW-VIFPVBQESA-N 347.352 1.784 0 40 EDAB O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccccc1F 23143651 VTZCXXUPIFXWCC-UHFFFAOYSA-N 339.344 1.912 0 40 EDAB CC/C(NC[C@H]1CCCO1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 101033304 NCJCQBCGSLPJKQ-LTOKCNDWSA-N 349.431 1.830 0 40 EDAB CCNS(=O)(=O)c1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 30225220 YMVBRWDNAKRMGW-UHFFFAOYSA-N 345.384 1.508 0 40 EDAB Cc1cc(C)cc(OCCN2CCN(CC(=O)N3CCCC3)CC2)c1 40465903 VREJNIWNDHWSDO-UHFFFAOYSA-N 345.487 1.922 0 40 EDAB CCn1c(C)cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1C 40497323 AXMIODFZERSILX-UHFFFAOYSA-N 327.450 1.279 0 40 EDAB Cn1c(=O)n(CC(=O)C(C)(C)C)c(=O)c2ccc(C(F)(F)F)nc21 31450695 JZNTZQULCYDBNJ-UHFFFAOYSA-N 343.305 1.729 0 40 EDAB CN(C)[C@H](Cc1ccccc1)C(=O)N1CCN(CC(F)F)CC1 69492657 YMHWSOZAQURHIK-OAHLLOKOSA-N 325.403 1.569 0 40 EDAB O=C(Sc1nnc(=O)[nH]c1O)c1cccc(Br)c1 2474795 MPMQKBHOQVECJP-UHFFFAOYSA-N 328.147 1.566 0 40 EDAB C[C@H]1CCCN(Cc2ccc(CNC(=O)Cn3cnnn3)cc2)C1 40534579 BOVFIAQYKULSFE-AWEZNQCLSA-N 328.420 1.221 0 40 EDAB CNC(=O)CCS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 40528478 LURWAFLYKFITLN-UHFFFAOYSA-N 333.793 1.162 0 40 EDAB CCN1CCN(C2CCN(c3ncnc4c3cnn4C)CC2)C1=O 69491745 HVLHZFBIDZLTIN-UHFFFAOYSA-N 329.408 1.090 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(C)=O)CC1 36684310 LTOZXGFMHOWYDU-WMLDXEAASA-N 345.443 1.522 0 40 EDAB COc1ccc(OC)c(CCNc2ncc(S(N)(=O)=O)s2)c1 69453672 PXNQSZDESAQKAY-UHFFFAOYSA-N 343.430 1.462 0 40 EDAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2C)n(C)n1 11658951 VDVAACLNUODKQH-UHFFFAOYSA-N 349.441 1.768 0 40 EDAB COCCCN1C(=O)C[C@H](N2CCN(c3ccc(F)cc3)CC2)C1=O 101163444 OZAKNOAVLOZJOW-INIZCTEOSA-N 349.406 1.112 0 40 EDAB COc1cc(OC)c(S(=O)(=O)N2CCCCC2)cc1NC(C)=O 4241517 JDLLUMDTJJUSNT-UHFFFAOYSA-N 342.417 1.837 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4564533 BYTMZVVIAPQSOD-CJXOWJITSA-N 326.352 1.441 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCCCCC2)c1=O 4999882 NCSCWANCZQJDJH-UHFFFAOYSA-N 329.400 1.586 0 40 EDAB COc1ccc(NC(=O)CSC2CCCC2)cc1S(N)(=O)=O 6787983 XBQRIORSWCXNAR-UHFFFAOYSA-N 344.458 1.957 0 40 EDAB COc1ccc(CCC(=O)N[C@@H](C)[C@@H](C)n2cncn2)cc1OC 69668982 HGFQVYUUIPWXGU-QWHCGFSZSA-N 332.404 1.994 0 40 EDAB CCOc1ccc(NC(=O)C(=O)NCc2ccccc2CO)cc1F 69615662 DTWNXNOXCLXCPF-UHFFFAOYSA-N 346.358 1.972 0 40 EDAB NC(=O)C1(CNC(=O)COc2cccc(Cl)c2)CCOCC1 52743027 WCAOKYZZRHPLSB-UHFFFAOYSA-N 326.780 1.117 0 40 EDAB O=C(NCCNc1ncccn1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 69696678 YWBCZYYQZSBNRO-AWEZNQCLSA-N 347.325 1.476 0 40 EDAB CCn1c(Cn2ccc(C)n2)nnc1SCC(=O)NCC(C)C 2732709 NJVJLTISJYPGKH-UHFFFAOYSA-N 336.465 1.716 0 40 EDAB O=C(CCN1C(=O)CCC1=O)NCc1cccnc1OC1CCCC1 41426996 FPPOPPOYSPZYTN-UHFFFAOYSA-N 345.399 1.558 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)N1CCC[C@@H](C)C1 46955270 APLFLCDQFAREQL-ILXRZTDVSA-N 345.509 1.037 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1nncn1CC 46964893 UUGNMZBQVSRFGD-CYBMUJFWSA-N 345.403 1.670 0 40 EDAB C[C@@H]1CCCCN1CCCCNC(=O)c1cccc(OCC(N)=O)c1 46988572 WQSJVRQEINGANO-OAHLLOKOSA-N 347.459 1.935 0 40 EDAB C[C@@]1(NC(=O)CCc2nc3ccccc3s2)CCS(=O)(=O)C1 22548831 UIKUAOHRHXWORM-OAHLLOKOSA-N 338.454 1.922 0 40 EDAB Cc1cccc(CN2CC[C@@]3(CCCN([C@H]4CCOC4)C3)C2=O)n1 107788269 FQVZPLZOAIDEHU-PKOBYXMFSA-N 329.444 1.993 0 40 EDAB CCC(CC)[C@@H](CNC(=O)c1ccc2[nH]nnc2c1)N1CCOCC1 22898734 DPKRZUGWHAWRKQ-QGZVFWFLSA-N 345.447 1.825 0 40 EDAB C[C@@H]1CN(C(=O)NC[C@]2(N3CCOCC3)CCSC2)C[C@@H](C)O1 42344488 OYCBALYILMTRKI-IIAWOOMASA-N 343.493 1.013 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2cccs2)CC1 23735751 GPLLADVUCPBTQQ-ZDUSSCGKSA-N 347.440 1.804 0 40 EDAB Cc1cc(NC(=O)CSCC(=O)NCCCOC(C)C)no1 23983752 YJJMIMCBYCOZSI-UHFFFAOYSA-N 329.422 1.586 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1)c1ccco1 42872419 VHHAGWFKGHZDII-ZFWWWQNUSA-N 334.397 1.855 0 40 EDAB CCCC(=O)N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O 12409010 WNEXUIZAJUSZFC-LBPRGKRZSA-N 333.266 1.506 0 40 EDAB COc1cccc(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 55169422 AAQNPHOBJZVQDD-UHFFFAOYSA-N 346.431 1.467 0 40 EDAB CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 1424487 NUSTZTCKTASAIO-UHFFFAOYSA-N 334.376 1.343 0 40 EDAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@H](C(N)=O)C1 106827108 IFXJQXMPPGYPKZ-ZYHUDNBSSA-N 325.359 1.291 0 40 EDAB COc1ccc([C@@H](NC(=O)CNC[C@H]2CN(C)CCO2)C2CC2)cc1 106869431 PNBLLWGYBIJNHB-HKUYNNGSSA-N 347.459 1.183 0 40 EDAB CO[C@@H](C)C(=O)N(C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)OC 106913029 ZNYKSBVVTVLEJK-IJEWVQPXSA-N 336.432 1.242 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)c2cnn3cccnc23)CC1 43523008 LNRCQXTXAHSZCI-UHFFFAOYSA-N 335.411 1.996 0 40 EDAB Cc1c(C(=O)N[C@H](C)CN2CCCC2=O)cnn1-c1ccccc1 55813717 HJGZCNWJIHRTBT-CYBMUJFWSA-N 326.400 1.921 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)/C=C/c1cnn(-c2ccccc2)n1 56017648 DMBBKXPNDBASQS-NPUYYSGSSA-N 339.399 1.393 0 40 EDAB C[C@@H]1NC(=S)N([C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)C1=O 55179420 ZYKJYVGCWMSXEU-QWRGUYRKSA-N 347.440 1.510 0 40 EDAB O=C(CNC(=O)c1ccc(Br)o1)NC1CCC(O)CC1 35101123 INNGJZIEGXTNAE-UHFFFAOYSA-N 345.193 1.192 0 40 EDAB O=C(NCCN1CCOCC1)C1(c2cccc(F)c2)CCOCC1 57191235 BSZHGQAHPGXTNA-UHFFFAOYSA-N 336.407 1.322 0 40 EDAB Cc1cc2nc(SCC(=O)NCc3ccccc3)[nH]c(=O)c2[nH]1 57520758 UGMXHRKDDYDWKV-UHFFFAOYSA-N 328.397 1.968 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)c2c(c1)OCO2 44719849 CDAHXMWDTBHYCE-QMMMGPOBSA-N 331.777 1.233 0 40 EDAB CC(C)N(C)S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 58195660 RUAYEEIQALWUGO-MRXNPFEDSA-N 341.477 1.062 0 40 EDAB COc1ccc([C@H](NCC(=O)N2CCNC2=O)c2ccccc2)cc1 58157837 QYKDXZQLWBHEDF-GOSISDBHSA-N 339.395 1.926 0 40 EDAB C[C@H]1CCCCN1CCNC(=O)Nc1ccc(-n2cncn2)nc1 48132026 FLZXZWSGHCQDOW-ZDUSSCGKSA-N 329.408 1.658 0 40 EDAB O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2Cl)nn1 58290562 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Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](C(N)=O)c2ccccc21 69704170 MTVCZACTNQNPBT-CYBMUJFWSA-N 334.372 1.912 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)O)cc2)c1 13092010 WRDQRWWBGUBDPO-UHFFFAOYSA-N 348.380 1.223 0 40 EDAB Cc1ccccc1-n1cc(C(=O)N2CSC[C@@H]2C(=O)N(C)C)cn1 69700299 NWMSSSYMBQDXAF-OAHLLOKOSA-N 344.440 1.784 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1C 408627449 ZTHICDWRIKADBX-UHFFFAOYSA-N 339.461 1.071 0 40 EDAB CC[C@](C)(CNC(=O)c1cnc2onc(C)c2c1)N1CCOCC1 65372590 KWPWBQYOZQTHNM-QGZVFWFLSA-N 332.404 1.762 0 40 EDAB c1ccc2c(c1)OCC[C@@H]2NCc1cnc(N2CCOCC2)nc1 65549048 WSSOQHFIUBGWQQ-INIZCTEOSA-N 326.400 1.927 0 40 EDAB CCN(CC)C(=O)COC(=O)c1ccc2c(c1)nc(C)c(=O)n2CC 6535380 CLPVBOAQFOTAEE-UHFFFAOYSA-N 345.399 1.750 0 40 EDAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCNC1=O 5626619 SDLLNMWHYMQNAH-UHFFFAOYSA-N 332.143 1.284 0 40 EDAB COCCNC(=O)C(=O)Nc1sc2c(c1C(=O)O)CCCC2 6759267 KXYAJUBYMKPHTB-UHFFFAOYSA-N 326.374 1.026 0 40 EDAB Cc1ccc(S(=O)(=O)NCCO)cc1C(=O)NC1CCCCC1 4834988 DEFJVGPADKWIIR-UHFFFAOYSA-N 340.445 1.328 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@@H]1C2 306129091 HUCWTQJRKZOIOY-LSDHHAIUSA-N 340.431 1.116 0 40 EDAB CCn1cnnc1S[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 7110622 LQWKFZNHQXBVLP-QMMMGPOBSA-N 332.389 1.587 0 40 EDAB C[C@@H](CCc1ccccc1F)C(=O)N[C@@H]1CCCN(CC(N)=O)C1 80243033 WANQOHOIPIDGKY-DZGCQCFKSA-N 335.423 1.460 0 40 EDAB Cc1cc(NNS(=O)(=O)c2ccc(F)c(F)c2)n2ncnc2n1 8942602 DNKIXMCNQJFYHL-UHFFFAOYSA-N 340.315 1.016 0 40 EDAB COc1ccc(C(=O)N(C)OC)cc1S(=O)(=O)NC1CCCC1 8936967 SIKGHZPHMSOQML-UHFFFAOYSA-N 342.417 1.550 0 40 EDAB Cc1nnc(SCC(=O)Nc2sccc2C(N)=O)n1C1CC1 7617527 PVHGMLMOEGXTNV-UHFFFAOYSA-N 337.430 1.813 0 40 EDAB CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)O)c2C)C1 68589876 HRVXUFLLBAQJMQ-UHFFFAOYSA-N 329.360 1.362 0 40 EDAB in-vitro Cc1ccc(NC(=O)CN2CCNC(=O)C2)c(Br)c1 7844526 LDBXXQWUWBSIGU-UHFFFAOYSA-N 326.194 1.128 0 40 EDAB O=C1NCCN(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccs1 81293961 QGDDZSGEHZLQEM-CQSZACIVSA-N 330.365 1.790 0 40 EDAB O=C1NCCN(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccs1 81293962 QGDDZSGEHZLQEM-AWEZNQCLSA-N 330.365 1.790 0 40 EDAB CN1CCN(C(=O)c2ccc(CNC(N)=O)cc2)Cc2ccccc21 68862807 ASZDRMZNLFRUIA-UHFFFAOYSA-N 338.411 1.947 0 40 EDAB Cc1cccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1 8155355 GWPBNEQUCVPIFG-UHFFFAOYSA-N 335.381 1.878 0 40 EDAB O=C(NCCC(=O)N1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1 69291767 FACRCNZDNYFPDZ-KRWDZBQOSA-N 345.443 1.130 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N2CCC(CC(N)=O)CC2)n1 69371551 MYJMAYYXYJZQDZ-LBPRGKRZSA-N 335.452 1.433 0 40 EDAB C[C@H](Cn1cccn1)NCCCOc1ccc(S(C)(=O)=O)cc1 69328417 ODCOINMZYUEQMK-CQSZACIVSA-N 337.445 1.734 0 40 EDAB O=c1c2ccccc2nnn1CSc1nnnn1C1CCCC1 8314965 QGPGVYQAEMZYHL-UHFFFAOYSA-N 329.389 1.643 0 40 EDAB COC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 8393929 CDRRDRXOFBQOSA-NSHDSACASA-N 349.412 1.763 0 40 EDAB O=C(NCc1ccccc1F)c1ccc(CN2C(=O)CNC2=O)cc1 17064236 PMIVJPZIXGTXCY-UHFFFAOYSA-N 341.342 1.808 0 40 EDAB CCc1nnc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1C 71864040 OQOSKAYDWJLKEL-INIZCTEOSA-N 329.448 1.229 0 40 EDAB O=C(c1cnccn1)N1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 71897015 UHKRNBXGWQORDL-UHFFFAOYSA-N 349.394 1.276 0 40 EDAB CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1nc(-c2ccco2)n[nH]1 71883353 BWSKDMJKFDEYFP-GFCCVEGCSA-N 345.403 1.862 0 40 EDAB O=[S@](CCN1CCCC[C@@H]1CN1CCOCC1)c1ccccc1 71897339 RYGWNSLQGJVMAF-HXOBKFHXSA-N 336.501 1.981 0 40 EDAB CC(C)c1nc2n(n1)C[C@@H](NCc1nc(-c3cccnc3)no1)CC2 71877607 JAHRMVCQIOVQJG-ZDUSSCGKSA-N 339.403 1.951 0 40 EDAB N#CCc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 89830050 OWDMOQLHDKULNP-KRWDZBQOSA-N 338.363 1.944 0 40 EDAB Cn1cc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cn1 96892219 WKDWDJWYJLHDAL-OQLLNIDSSA-N 336.351 1.891 0 40 EDAB CO[C@@H](C)CC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 97046225 HPEJPKSOIXNLFY-TVQRCGJNSA-N 343.221 1.859 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H]3Cc4cc(F)ccc4O3)CCO2)n1 76045237 WMHRMYHNGBZPDU-ZIAGYGMSSA-N 332.335 1.156 0 40 EDAB O=c1[nH]c(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2[nH]ncc12 97163738 BUVQUNZGMCXOJN-UHFFFAOYSA-N 344.806 1.622 0 40 EDAB C[C@]1([C@@H]2CCCN(CCCOc3ccc(F)cc3)C2)NC(=O)NC1=O 76059206 JLURQPHLYVBSLA-FZKQIMNGSA-N 349.406 1.905 0 40 EDAB Cc1ccccc1[C@H](O)CN1CCC[C@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 76058873 UHVSKAXJCNJHQC-ZSZQSSIHSA-N 345.443 1.681 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2coc(-c3ccccc3)n2)CC1 78064584 PTPKCWFVQLKAPW-UHFFFAOYSA-N 342.399 1.282 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CCCc3cn[nH]c32)C1 95436658 KNLVHWAYEUCCCZ-LSDHHAIUSA-N 330.432 1.594 0 40 EDAB CC(C)n1cnc2cc(C(=O)NC3CCS(=O)(=O)CC3)ccc21 95404104 UHYKFFIBCBWYQQ-UHFFFAOYSA-N 335.429 1.924 0 40 EDAB Cn1cc(CCNC(=O)N2CCC[C@@H](Cc3nccn3C)C2)cn1 95424302 FRKQOMMGNMCUAH-AWEZNQCLSA-N 330.436 1.360 0 40 EDAB Cc1nc(-c2cccc(C(=O)NC[C@H](C)N3CCOC[C@@H]3C)c2)n[nH]1 78986396 KSMXSRRIOVYPOQ-STQMWFEESA-N 343.431 1.619 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)CCc3cscn3)C2)n[nH]1 78901608 XQYFQLSPJUTXRZ-SNVBAGLBSA-N 333.417 1.304 0 40 EDAB COCCN1CCC[C@H]1CNS(=O)(=O)c1cc2ccccc2o1 79060429 QPXZLSFCYGCYLM-AWEZNQCLSA-N 338.429 1.822 0 40 EDAB CN(C[C@H]1CCC[C@H]1O)C(=O)NCc1nccn1CC(F)(F)F 95974457 BWORUMJVKXPAON-GHMZBOCLSA-N 334.342 1.748 0 40 EDAB Cn1ccs/c1=N\C(=O)CSc1nc(-c2cccnc2)no1 95992979 CRSARRKKPPYRFV-QINSGFPZSA-N 333.398 1.751 0 40 EDAB Cc1[nH]c(=O)sc1S(=O)(=O)NCCN[C@H]1CCCC1(C)C 95943594 HSOCDNPSHDYOHQ-JTQLQIEISA-N 333.479 1.191 0 40 EDAB Cc1ccc(-n2nnnc2SCCN(C)S(C)(=O)=O)cc1C 79107286 APMBFSHFLYTIOK-UHFFFAOYSA-N 341.462 1.263 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)Cc3c(C)noc3C)CCO2)n1 89289698 XQRSDTICUGIIIG-HZMBPMFUSA-N 347.419 1.751 0 40 EDAB NC(=O)[C@@H]1CCCCN1CC(=O)Nc1cccc(Br)c1 9953358 AKWCURPRKHHCIT-LBPRGKRZSA-N 340.221 1.727 0 40 EDAB Cc1cnc(N)c(S(=O)(=O)Nc2cc(C(N)=O)cc(F)c2C)c1 89580178 NNNPGHLQKOVMDA-UHFFFAOYSA-N 338.364 1.319 0 40 EDAB CCCN(Cc1cc(=O)n(C)c(=O)n1C)[C@H]1C[C@H](OCC)C1(C)C 75145477 DGWQTOIJBXGBCF-GJZGRUSLSA-N 337.464 1.500 0 40 EDAB NC(=O)C1CCN(C(=O)CCc2nc(-c3ccccc3)no2)CC1 20901854 HQZYEBNRMCXBAW-UHFFFAOYSA-N 328.372 1.393 0 40 EDAB Cc1nc(NCCc2ccc(OCC(=O)O)cc2)nc(N(C)C)n1 514675467 SJTUQIQRAPAIQZ-UHFFFAOYSA-N 331.376 1.364 0 40 EDAB CCOC(=O)c1cnc(NCc2nc(C(F)(F)F)no2)nc1C 521398380 BVRGPWGCOSQEKB-UHFFFAOYSA-N 331.254 1.976 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NCCc2ccc(F)cc2)s1 36182643 MQVXSVKHPSIOCL-UHFFFAOYSA-N 344.393 1.157 0 40 EDAB O=C(O)C[C@@H](NC(=O)c1nccnc1C(=O)O)c1cccc(F)c1 72402911 APUBNIHVTDPVKZ-SNVBAGLBSA-N 333.275 1.260 0 40 EDAB CCCS(=O)(=O)NC1CCN(C[C@H](O)c2ccc(F)cc2)CC1 30135738 FDRVXVRPXZWIQG-INIZCTEOSA-N 344.452 1.653 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 16043071 KTENWUOGPYYYTE-XXFAHNHDSA-N 347.367 1.965 0 40 EDAB biogenic CN(C)c1cc(C[C@H]2COCCN(CCc3ccccn3)C2)ncn1 72388309 DMTUOJOEDKISBK-MRXNPFEDSA-N 341.459 1.671 0 40 EDAB COc1cnc(C2(O)CCN(C(=O)c3ccccn3)CC2)c(OC)n1 72342903 GUBAJIDQYMDONV-UHFFFAOYSA-N 344.371 1.013 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NCC(C)C)c(C(=O)O)c1 217662832 VDLXIUNPKBJMFM-LLVKDONJSA-N 344.433 1.766 0 40 EDAB O=C(NCCCN1CCOCC1)c1nnsc1-c1ccccc1 72240005 QWMWBPYDODQDCX-UHFFFAOYSA-N 332.429 1.657 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCN(CC(=O)N(C)C)CC1 79043619 NIILCEIWNLSXBP-CVEARBPZSA-N 339.480 1.204 0 40 EDAB O=C(c1cc2c([nH]c1=O)CCCC2)N1CCN(c2ccccn2)CC1 49551146 PZPCNPNNBVIRSM-UHFFFAOYSA-N 338.411 1.611 0 40 EDAB CCS(=O)(=O)c1ccc(N2CCO[C@](C)(c3cnn(C)c3)C2)cc1 225521090 VECTVMBAZRDJCV-KRWDZBQOSA-N 349.456 1.966 0 40 EDAB COc1ccc([C@H](CN[C@@H]2CCS(=O)(=O)C2)N2CCCC2)cc1 40177478 XOGBJUAIHYRMBL-WBVHZDCISA-N 338.473 1.609 0 40 EDAB O=C(Nc1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCCC2)c1ccco1 223810790 DKTMEAOFFOLDSP-LLVKDONJSA-N 349.412 1.967 0 40 EDAB Cc1cccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)c1 224219031 IZUCVSXTTQSUFL-UHFFFAOYSA-N 327.388 1.943 0 40 EDAB CNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)nc1 568944661 UPWSGYZNPWCARL-CYBMUJFWSA-N 344.415 1.561 0 40 EDAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)C)cc1 223223401 YAZHWOQIESCIND-UHFFFAOYSA-N 330.475 1.801 0 40 EDAB Cc1nc2c(s1)CN(S(=O)(=O)c1ccc3c(c1)OCO3)CC2 41194394 OSRMGGJLSUFNKD-UHFFFAOYSA-N 338.410 1.927 0 40 EDAB O=CN1CCN(c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)CC1 41151704 NTUWMLLNQRLREQ-AWEZNQCLSA-N 341.415 1.499 0 40 EDAB CC(CO)(CO)NC(=O)C(F)(F)c1ccccc1C(F)(F)F 195567827 LFPYLTYOOAPYBT-UHFFFAOYSA-N 327.249 1.657 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl 83605265 OZRADNSSKNJKIA-MRVPVSSYSA-N 339.244 1.590 0 40 EDAB CC[S@@](=O)CCS(=O)(=O)c1ccc(Br)cc1 95453970 NUXNLDYPBRWMOB-HNNXBMFYSA-N 325.249 1.991 0 40 EDAB Cc1ccnc(NC(=O)[C@H]2CC(=O)N(c3cnn(C(C)C)c3)C2)n1 96101495 LZEPHBPIHUGPQU-LBPRGKRZSA-N 328.376 1.554 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H]3CN(C4CCOCC4)CCO[C@@H]3C2)o1 96249677 ZTDOQJDWSAFNBI-CRAIPNDOSA-N 348.443 1.930 0 40 EDAB Cn1cc(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1 96493971 MFPVXNAVZDZYNG-GFCCVEGCSA-N 340.836 1.631 0 40 EDAB C[C@H](CNS(=O)(=O)N(C)C)Oc1ccccc1Br 96452760 HDJYBYYAMKITBL-SECBINFHSA-N 337.239 1.612 0 40 EDAB c1cc(N2CCOCC2)n2cnc([C@H]3CN(CC4CC4)CCO3)c2c1 96155883 DISYVRAGDZBHJB-QGZVFWFLSA-N 342.443 1.954 0 40 EDAB COC[C@H]1CCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)C1 96437287 RYTAOGPYUNTFCO-ROUUACIJSA-N 332.444 1.772 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)C[C@@H](OCC1CCOCC1)CO2 96106701 JVGRRTFJBDVEKX-MRXNPFEDSA-N 340.464 1.141 0 40 EDAB O=C(c1ccccn1)N1CCOC[C@@]2(CC[C@@H](CN3CCCC3)O2)C1 96063375 TZPHTPMSNRLDIS-QFBILLFUSA-N 345.443 1.568 0 40 EDAB CC(C)CC(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CN2C 96237861 YWEUGXOSVQISBR-IBGZPJMESA-N 329.444 1.982 0 40 EDAB COc1cccc(N2CC[C@@H](CNC(=O)N3CCO[C@@H](C)C3)C2)c1 96403174 UGSWJQSZPMNVNA-GJZGRUSLSA-N 333.432 1.952 0 40 EDAB Cc1cccc(NCCC(=O)N2CCN(c3ccccn3)CC2)n1 97096481 VEOQSNIVCVNRON-UHFFFAOYSA-N 325.416 1.936 0 40 EDAB CC(C)[C@@H](C)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 97103761 VJEHAWYVIZTLSA-SNVBAGLBSA-N 331.404 1.482 0 40 EDAB CN(C)CC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn21 248107771 JEMGILADTYIJTI-HNNXBMFYSA-N 342.399 1.761 0 40 EDAB CCO[C@@H]1CSC2(C1)CN(S(=O)(=O)c1c(C)nn(C)c1C)C2 248039811 OAGWPALPDHVVTK-LBPRGKRZSA-N 345.490 1.322 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 257208201 BLCYRLNNPZHGLL-ZDUSSCGKSA-N 334.401 1.398 0 40 EDAB O=C(N[C@@H]1CN(CCc2ccc(F)cc2)C[C@H]1O)c1cscn1 257261398 LHCYRAWFUPBEBT-UKRRQHHQSA-N 335.404 1.300 0 40 EDAB CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1N 255188455 JZQAJUGMZQPOIH-UHFFFAOYSA-N 326.399 1.278 0 40 EDAB O=C(CCOc1ccccc1F)N1CC[C@](O)(CN2CCCC2)C1 257296223 RBUAIMKJQXXJMT-SFHVURJKSA-N 336.407 1.654 0 40 EDAB COC(=O)[C@H]1CCc2nnc(CN3CCCc4ccccc43)n2C1 601045209 UIXYNZMLUMYOAO-AWEZNQCLSA-N 326.400 1.966 0 40 EDAB Cc1noc(CCNC(=O)NCc2ccn(Cc3ccccc3)n2)n1 252506659 WCDGKLGEZSOHDA-UHFFFAOYSA-N 340.387 1.665 0 40 EDAB O=C(Cn1cccn1)N1CCCC[C@@H]1c1cc(O)n2nccc2n1 257225539 FGQXWZFBHPFOJW-CYBMUJFWSA-N 326.360 1.385 0 40 EDAB C[C@@]1(c2nccc(CN3CCN(c4ncccn4)CC3)n2)CCCO1 257218726 DEFVWCZWQACPAA-SFHVURJKSA-N 340.431 1.614 0 40 EDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NC[C@@H]2CCCO2)cn1 257257770 KQZNGORNNFJPCL-HNNXBMFYSA-N 342.399 1.417 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2CC=CC[C@H]2C1 252581792 MGTSORFTGXYPDN-ULQDDVLXSA-N 348.491 1.537 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC2(CC(Nc3ccncn3)C2)C1 257262940 LNSCMHCTBYAUNX-SWKXRBFHSA-N 343.431 1.281 0 40 EDAB O=C(O)c1cccc(O[C@@H]2CN(C(=O)c3cccnc3)C[C@H]2O)c1 257321018 VZSKEOOFVCGBMK-HUUCEWRRSA-N 328.324 1.044 0 40 EDAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)C1 250664883 HLHAWHLEKDKHAY-DOMZBBRYSA-N 348.374 1.733 0 40 EDAB COC(CN1CC[C@H](Oc2cncc(Br)c2)C1)OC 585116475 XXYCOWRZFUZHBX-NSHDSACASA-N 331.210 1.916 0 40 EDAB CCc1ccc(S(=O)(=O)Nc2nc3cnccn3n2)cc1CC 585129630 PXJDBYNHPOFDPC-UHFFFAOYSA-N 331.401 2.050 0 40 EDAB COc1ccc(S(=O)(=O)NCc2cc3n(n2)CCCO3)c(C)c1 585114751 XDCXYQYSDAYQHR-UHFFFAOYSA-N 337.401 1.461 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccnc(Cc2ccccc2F)c1 257301158 RXFGUZCNKOZWDT-CQSZACIVSA-N 348.399 1.728 0 40 EDAB C[C@@H]1CN(C(=O)N[C@@H](C2CCOCC2)C2CC2)CC[S@@](=O)C1 593452643 YKQMCKWBXJXEJJ-AVKZDSLQSA-N 328.478 1.602 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@H]2CCO[C@H]21 585109280 GBEMIYVWYCAXAS-VYDXJSESSA-N 332.375 1.263 0 40 EDAB Cc1ncncc1C(=O)N1CC[C@H](O)[C@H](Cc2ccccc2F)C1 585279243 YCDOSUOYOMNMFK-PBHICJAKSA-N 329.375 1.990 0 40 EDAB Cc1cccc(-c2ccc(C(=O)OCCN3CCOC3=O)c(=O)[nH]2)c1 61323309 IPDKHUOUAKDITB-UHFFFAOYSA-N 342.351 1.959 0 40 EDAB CC(C)[C@@H](Oc1ccccc1Br)C(=O)N(C)CC(N)=O 71821520 YOHKNJCZXJWPTM-CYBMUJFWSA-N 343.221 1.796 0 40 EDAB CO[C@]1(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CCSC1 96097681 HCGMXPPVHQUQFF-AWEZNQCLSA-N 345.442 1.258 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@@H]1C[C@H]1C)n2CC 5113241 SNIPDBZSWYNCGT-GHMZBOCLSA-N 348.403 1.406 0 40 EDAB CC(C)(C)C(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 12219813 BPYXYCBOSHHLAM-UHFFFAOYSA-N 343.427 1.796 0 40 EDAB Cc1cc2nc([C@H]3CCN(C(=O)c4ccn(C)n4)C3)cc(O)n2n1 19129824 ZCNHOFYIDFRGAG-NSHDSACASA-N 326.360 1.107 0 40 EDAB Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N1CCCN(C)CC1 162068490 GZPDQBGBCXRJHN-UHFFFAOYSA-N 332.448 1.472 0 40 EDAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)[C@@H]1CCOC1 206844734 YDBBYXOJWAHYFW-TZMCWYRMSA-N 329.356 1.698 0 40 EDAB O=C(Cn1cnnn1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 163641104 XLJVQWOQTJRINV-UHFFFAOYSA-N 334.383 1.926 0 40 EDAB Cc1ccnc(N2C[C@H]3CN(Cc4nc(C(C)C)no4)C[C@@H]3C2)n1 1888843431 NKAQJIWIFWZHSS-ZIAGYGMSSA-N 328.420 1.860 0 40 EDAB O=C(c1ccncc1)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888850439 QLEUNAPCEGOIJC-IYBDPMFKSA-N 335.411 1.957 0 40 EDAB Cc1cn2nc(N3CCN(c4nccn5nccc45)CC3)ccc2n1 1888913869 BUYPBETZWKSQNH-UHFFFAOYSA-N 334.387 1.407 0 40 EDAB CCN=c1ccnc(N2CCN(c3cc(C4CCC4)ncn3)CC2)[nH]1 1889098648 DIDMAPRGHVDEIH-UHFFFAOYSA-N 339.447 1.714 0 40 EDAB Cn1nc(C(=O)N2C[C@@H]3CN(c4cnccn4)C[C@@H]3C2)c2ccccc21 1889211578 FLJXPCGYAKYMBD-OKILXGFUSA-N 348.410 1.572 0 40 EDAB Cc1nnnn1-c1cccc(NCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 29686877 MOVXNFWGOFEJAO-CHWSQXEVSA-N 328.420 1.887 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 33207975 VDTVOFQSUXNSFX-GFCCVEGCSA-N 348.424 1.963 0 40 EDAB Cc1noc([C@H]2CN(C(=O)c3cn(C)nn3)C[C@@H]2c2ccccc2)n1 238863533 LFTSWJJHMFMVSN-KGLIPLIRSA-N 338.371 1.530 0 40 EDAB Cc1cnn(CCN2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2087130542 XKHOTLRAIRVVQX-AWEZNQCLSA-N 342.390 1.150 0 40 EDAB O=C(CC1(O)CCC1)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 1565550112 PXIUQYYHGRLGJF-GRDNDAEWSA-N 332.400 1.524 0 40 EDAB COc1ccc(-c2cc(=O)n(CC(=O)Nc3ccncc3)cn2)cc1 13807245 DEZFQNSYKJATLH-UHFFFAOYSA-N 336.351 1.953 0 40 EDAB COc1cccc2cc(C(=O)N3CC(c4nc(C)no4)C3)c(=O)oc12 49482285 ZNONFXZAZWUBKL-UHFFFAOYSA-N 341.323 1.733 0 40 EDAB O=C(Cc1noc2ccccc12)NCCn1ccnc1-c1cnccn1 585147613 HJBNQYJGHWQVFN-UHFFFAOYSA-N 348.366 1.840 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)c2c(O)c3c([nH]c2=O)CCC3)cc1 207010605 MYFCBFRQMJULFW-UHFFFAOYSA-N 348.380 1.225 0 40 EDAB CN1CCC2(CC1)CN(C(=O)[C@@H]1CCCNC1)Cc1ccccc1O2 72394529 LMTVGTIXIBUCIU-MRXNPFEDSA-N 343.471 1.872 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)[C@@H]1C 69509374 FJTAKGYOJDAFFV-NFAWXSAZSA-N 345.509 1.877 0 40 EDAB Nc1nc(CSc2nc3ccccc3[nH]2)nc(N2CCOCC2)n1 33458 VPCOSQVCVBCXDC-UHFFFAOYSA-N 343.416 1.459 0 40 EDAB Cc1cccc(-n2nnnc2SCC(=O)Nc2cc(C)no2)c1 11164696 AOBTWKIECTVRHG-UHFFFAOYSA-N 330.373 1.998 0 40 EDAB Cc1ccc(-n2c(SCC(N)=O)nc3c(c2=O)SCC3)cc1 213948 KGEIIDQXYHLNIE-UHFFFAOYSA-N 333.438 1.767 0 40 EDAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cn1 40512487 MRQWXGMZACPMHS-SNVBAGLBSA-N 328.328 1.140 0 40 EDAB C[C@H](NS(=O)(=O)Cc1cc(-c2ccccc2)no1)C(=O)N(C)C 69659768 UDVGSZNBYXYFPH-NSHDSACASA-N 337.401 1.238 0 40 EDAB Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1C 40525385 MQEFKMPDCHWVGW-UHFFFAOYSA-N 340.449 1.259 0 40 EDAB COc1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)cc1OCCO 69652030 PNWJYQQFQNBUMK-HNNXBMFYSA-N 345.399 1.740 0 40 EDAB Cc1nn(C)c(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1C 69699287 XYDQRQKPSSNXFR-UHFFFAOYSA-N 348.428 1.730 0 40 EDAB CC(=O)N1[C@H](c2ccccc2)SC[C@H]1C(=O)NN1CCOCC1 1643140 QPMAXKRIAUACDA-HOCLYGCPSA-N 335.429 1.013 0 40 EDAB CCNC(=S)N(CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O 4132698 SOGLVSAKWCLBMH-UHFFFAOYSA-N 333.457 1.834 0 40 EDAB O=C(NCCN1CCCCCC1=O)c1ccc(Cn2cncn2)cc1 32309575 AUAMXSFGDABQAE-UHFFFAOYSA-N 341.415 1.459 0 40 EDAB CCC[C@@H](N[C@H](C)C(=O)N1[C@@H](C(=O)O)C[C@H]2CCCC[C@H]21)C(=O)O 6779241 ODAIHABQVKJNIY-DHGKCCLASA-N 340.420 1.462 0 40 EDAB Cc1csc(=O)n1CC(=O)OCC(=O)NCc1cccs1 7735648 AUKHVADBOVVUKT-UHFFFAOYSA-N 326.399 1.139 0 40 EDAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1C(=O)OC 7756007 CRYYAVZRKIZJOA-ZDUSSCGKSA-N 334.397 1.829 0 40 EDAB CC(C)COCCC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 71916137 FFUJEEZQSPLZKZ-AWEZNQCLSA-N 332.400 1.893 0 40 EDAB CN(CC(=O)N[C@@H]1CCCCNC1=O)Cc1c(F)cccc1Cl 46037717 CTVGYFYBMBFFJO-CQSZACIVSA-N 341.814 1.696 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccccc3Cl)N2N1 10152970 UZXCVGLMZMIRCM-LLVKDONJSA-N 333.779 1.595 0 40 EDAB NS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(F)c1F 71916562 DFQKRFWEGHEXIR-UHFFFAOYSA-N 348.352 1.413 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CC[C@@H]1c1ccccc1 32927659 FYPGQNKWIBIMRT-CYBMUJFWSA-N 335.385 1.722 0 40 EDAB c1ccc(CCCc2nnnn2Cc2nnnn2-c2ccccc2)cc1 80293271 MJFAQCMKKIBWDQ-UHFFFAOYSA-N 346.398 1.872 0 40 EDAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 9762188 XVRBMQWPZKQROQ-NSHDSACASA-N 333.344 1.117 0 40 EDAB Cn1c(CSCC(=O)c2c[nH]c3ccccc23)cc(=O)n(C)c1=O 75584358 CYELGHFGQLQDPP-UHFFFAOYSA-N 343.408 1.681 0 40 EDAB CN1N=C(c2ccncc2)[C@@H](C(=O)c2cn(-c3ccccc3)nn2)C1=O 103608660 VPGXCUYYXJZUBZ-HNNXBMFYSA-N 346.350 1.338 0 40 EDAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)N1CC(=O)Nc2ccccc21 15645195 NLCIFFDHKBSFCU-LLVKDONJSA-N 340.335 1.923 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)NCCc1cccs1 22834705 SQDYZVPFEQCUDL-UHFFFAOYSA-N 335.410 1.985 0 40 EDAB O=C(NCc1nc2ncc(Br)cc2[nH]1)C1CCOCC1 76042242 QFFYILVPHQTCGK-UHFFFAOYSA-N 339.193 1.763 0 40 EDAB O=C(Cc1csc(N2CCNC2=O)n1)N1CCc2sccc2C1 46785973 MEVVXQRIFGSVDY-UHFFFAOYSA-N 348.453 1.862 0 40 EDAB CN1CCN(Cc2ccccc2CNC(=O)c2ccc(=O)[nH]c2)CC1 46934996 YQIYWRIECDRUIY-UHFFFAOYSA-N 340.427 1.052 0 40 EDAB CNC(=O)C1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 42632579 ZQMSJMQOIVXCGN-UHFFFAOYSA-N 348.378 1.746 0 40 EDAB COCCOCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 76023252 XJEITQYTSIYDFV-CHWSQXEVSA-N 330.425 1.459 0 40 EDAB O=C(c1ccc(O)cc1)C1CCN(C(=O)NCc2cc[nH]n2)CC1 47087896 FTVUWMHDUORHLS-UHFFFAOYSA-N 328.372 1.920 0 40 EDAB Cc1cccc(OC[C@@H](C)NC(=O)NCCNc2ncccn2)c1 54616063 UBTPIMFVHMMRFK-CQSZACIVSA-N 329.404 1.964 0 40 EDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2F)C1 34186014 DIBBTLKWSIYJAR-JTQLQIEISA-N 333.356 1.929 0 40 EDAB Cc1ccc(-c2cc(CNC(=O)NCCN3CCOCC3)on2)cc1 42950797 YVGGORHZPGOHGH-UHFFFAOYSA-N 344.415 1.781 0 40 EDAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C 106156894 MCEWYIPNUDIQHG-DCAQKATOSA-N 326.343 1.845 0 40 EDAB CC(C)Cn1c(=O)n(CCCn2cccn2)c2cc(C(=O)O)cnc21 55270779 FYSMMMONXHEVIN-UHFFFAOYSA-N 343.387 1.839 0 40 EDAB O=C1N=C(C2CCCC2)NC12CCN(c1ncnc3[nH]cnc13)CC2 55341138 OIZXTSHBZARQKC-UHFFFAOYSA-N 339.403 1.410 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 106781782 RBUAFQARLHTYDZ-IJLUTSLNSA-N 345.369 1.420 0 40 EDAB O=C(Cn1nc2ccccn2c1=O)Nc1cccc(Cn2ccnc2)c1 25178578 ASIDDIYAHITMGR-UHFFFAOYSA-N 348.366 1.380 0 40 EDAB C[C@H](C(=O)Nc1ncccn1)N1CCN(c2nccs2)[C@H](C)C1 108075443 LRBFQACWPMODPO-VXGBXAGGSA-N 332.433 1.471 0 40 EDAB C[C@@H]1CN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 57372984 JZORZUBAWJCOPV-WWRWRHIGSA-N 334.460 1.955 0 40 EDAB CCOC(=O)N[C@H](C(=O)c1ccc(C)cc1)n1cc(F)c(=O)[nH]c1=O 35681918 DORCZGMEBOHZGV-ZDUSSCGKSA-N 349.318 1.112 0 40 EDAB Cc1cc(C)n(CC(=O)NC[C@@H](c2cccs2)N2CCOCC2)n1 44895852 LVMIGNUBCYIANZ-HNNXBMFYSA-N 348.472 1.751 0 40 EDAB COc1ccc(NC(=O)[C@H]2CCCN2Cc2nnc(C)n2C)cc1 58218752 OMMPJUAQMJPCPL-OAHLLOKOSA-N 329.404 1.735 0 40 EDAB Cc1cc([C@H](C)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(C)o1 58278075 JHQQYKQQTHVHHR-NSHDSACASA-N 349.412 1.571 0 40 EDAB Cc1cccc(C(C)(C)CNC(=O)c2ccc(S(N)(=O)=O)o2)c1 58289978 YWNQCRPOPVPNDC-UHFFFAOYSA-N 336.413 1.943 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)c2ccc(Br)cc2O)C1 58282116 ZNKAFPPZWAFBND-NSHDSACASA-N 341.205 1.895 0 40 EDAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)CCNC(=O)[C@H]1C[C@@H]1C 58245385 QKSILMAXTRHYMQ-GWCFXTLKSA-N 327.388 1.881 0 40 EDAB CCN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)C1CCCC1 44950431 IKBNIHAMNKMTFR-INIZCTEOSA-N 331.416 1.530 0 40 EDAB C[C@@H]1CN(C(=O)COC(=O)c2ccc(Cl)c(N)c2)C[C@@H](C)O1 3261166 KGBJKYMLCWOPIF-NXEZZACHSA-N 326.780 1.715 0 40 EDAB O=C1OCC[C@@H]1Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1 58394041 DXYFVHNZCOZGRP-NEPJUHHUSA-N 338.433 1.465 0 40 EDAB C[C@H]1CN(CCNC(=O)CNC(=O)OCc2ccccc2)C[C@H](C)O1 58390997 VCJHVJXGWXFXGA-GJZGRUSLSA-N 349.431 1.138 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccccc3Cl)cnc21 12619319 BJBPDXKZLNHORL-UHFFFAOYSA-N 331.763 1.812 0 40 EDAB CCOC(=O)N[C@]1(C(F)(F)F)N=C(O)N(Cc2ccco2)C1=O 2211289 ZGPQXJOLWKWROW-LLVKDONJSA-N 335.238 1.541 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCCNC(=O)c1ccccc1F 58405377 IXXNTNFVOZCVTP-UHFFFAOYSA-N 333.411 1.453 0 40 EDAB COc1ccc(OC)c(CNC(=O)NCc2nnc3ccccn23)c1 48022838 KGZXFXQUXVXMDJ-UHFFFAOYSA-N 341.371 1.746 0 40 EDAB O=C1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCN1 3347820 PFYCJXJLSMEDRN-UHFFFAOYSA-N 342.726 1.479 0 40 EDAB O=C(NCc1ccncc1)c1cccc(S(=O)(=O)NC2CC2)c1 12779719 SIVFXBVYNIAUIL-UHFFFAOYSA-N 331.397 1.452 0 40 EDAB CC(C)n1nccc1NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 68235649 RWNKYIRHSBUOHR-LBPRGKRZSA-N 340.387 1.741 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)Cn2cncn2)c2cccnc12 69704163 VCUBTBDJVXZFQX-LBPRGKRZSA-N 331.401 1.502 0 40 EDAB COc1cccc(CNC(=O)c2ccc(N3CCOCC3)nc2)c1 12942172 JYEFPSALGZKDPD-UHFFFAOYSA-N 327.384 1.857 0 40 EDAB O=C(CCN1CCC[C@@H]1Cn1cncn1)NCCc1ccccc1 69743486 NRFMVMCEQXSJRY-QGZVFWFLSA-N 327.432 1.492 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc(-n3cccn3)c(F)c2)C[C@H](C)O1 69971972 WVLHFCMMDWQHBK-RYUDHWBXSA-N 339.392 1.809 0 40 EDAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@H](Cn2cncn2)C1 69810169 MIUFKJNZEYFRAK-UONOGXRCSA-N 332.408 1.704 0 40 EDAB Cc1ccoc1-c1nnc(CN2CCO[C@H](Cn3cncn3)C2)o1 69810160 RSTUKAHNHGJWJR-LBPRGKRZSA-N 330.348 1.131 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)c1 70008027 COTIQNXAVRKSST-KGLIPLIRSA-N 325.434 1.007 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)NCc3nc(C4CC4)no3)cc12 69349408 KEEOUJSNVDULOV-UHFFFAOYSA-N 348.388 1.016 0 40 EDAB COC[C@H](C)NC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 65592237 GYXWHVYDYDYCSZ-AWEZNQCLSA-N 349.431 1.126 0 40 EDAB Cc1nc(CNC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cs1 65564387 CFVCUAKAOPHTKQ-UHFFFAOYSA-N 348.359 1.724 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2cccc(C)n2)on1 65589296 AGIKFPQTUHNPPO-GFCCVEGCSA-N 331.376 1.584 0 40 EDAB Cc1cccc(S(=O)(=O)N2CSC[C@H]2C(=O)NCC2CC2)c1 65554318 PBKNRLVTSGRAGS-AWEZNQCLSA-N 340.470 1.585 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H](C)C(=O)N1CCCC1)C2 65621674 HETIZKVIMQUFLK-GXTWGEPZSA-N 332.400 1.373 0 40 EDAB NC(=O)[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1 14301565 UENZSHRIOGSVNP-NSHDSACASA-N 336.277 1.782 0 40 EDAB CCS(=O)(=O)CCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccsc1 69492043 AAIJAWFQTXVWAL-YPMHNXCESA-N 345.442 1.547 0 40 EDAB COc1cc(F)c(S(=O)(=O)NCCC[C@H](C)CO)cc1OC 89895393 CWAXEHMBOQDFKE-JTQLQIEISA-N 335.397 1.530 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1=NO[C@H](c2ccccc2)C1 69566442 KHLCGDCKVLWZSE-IRXDYDNUSA-N 335.363 1.947 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 8918779 DETNBDAAMJKPIT-CQSZACIVSA-N 342.443 1.977 0 40 EDAB Cc1cc(N2CCO[C@H](Cn3nc(C)cc3C)C2)n2ncnc2n1 71185981 MYIQBGKDTVOKDT-AWEZNQCLSA-N 327.392 1.151 0 40 EDAB Cc1ccc(O)c(CN2CCN(c3ccnc(N(C)C)n3)CC2)n1 93562704 TVJLOSGPBVHUEO-UHFFFAOYSA-N 328.420 1.274 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@@H](n3cncn3)C2)c2ccccc2N1 72272168 AYJDKJCJNFYHCA-TZMCWYRMSA-N 325.372 1.568 0 40 EDAB Cc1nsc(N2CCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)n1 96444981 FKUMHAHCHVJQGQ-GXTWGEPZSA-N 337.493 1.663 0 40 EDAB Cc1nc(CN2CCC[C@@H](Nc3ncnc4c3cnn4C)C2)no1 72276350 PKBSQTUZUWSDGP-LLVKDONJSA-N 328.380 1.131 0 40 EDAB O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCCn2ncnc21 71841580 CNNHBXZYXPKGOR-MRXNPFEDSA-N 325.416 1.927 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1OC)C2 71864865 RQCIHLKZABRUDZ-KGLIPLIRSA-N 326.400 1.995 0 40 EDAB Cc1c(C(=O)N2CCN3CCCC[C@@H]3C2)nnn1-c1ccccc1 71839702 LCGQIAKYOXICKS-MRXNPFEDSA-N 325.416 1.886 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cnc(-c3ccccn3)s2)CC1 71871505 HEVSPCCJOOYPDK-GFCCVEGCSA-N 332.429 1.344 0 40 EDAB NC(=O)[C@@H](CNC(=O)CCc1nccs1)Cc1ccc(F)cc1 71841495 OGRBJUQVRNICBL-GFCCVEGCSA-N 335.404 1.675 0 40 EDAB c1ccc(-c2cc(CN3CCO[C@@H](Cn4cncn4)C3)on2)cc1 71876550 SNAJYDNYNKYYFC-MRXNPFEDSA-N 325.372 1.834 0 40 EDAB CCN1CCN(C(=O)[C@@H](C)N2CCC[C@@H]2Cn2nc(C)cc2C)CC1 71876044 MHWZGCCHRCMYBL-QZTJIDSGSA-N 347.507 1.517 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)c2ccnc(N3CCCC3)n2)no1 72299326 QSPQSPIMURLRNK-CYBMUJFWSA-N 342.403 2.000 0 40 EDAB COc1c([C@H]2CCCN2CC(=O)Nc2cc(C)on2)c(C)nn1C 72253657 RPWQPUNMUMDSLN-GFCCVEGCSA-N 333.392 1.809 0 40 EDAB Cc1nc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)c2ccccn12 97212605 ZYWLUIKNQXVRNT-QGZVFWFLSA-N 334.379 1.956 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(C[C@H](O)c3ccc(F)cc3)C2=O)cn1 84318126 IMQTWEMFBJCHBC-ZFWWWQNUSA-N 331.347 1.210 0 40 EDAB CC[C@@H]1CN(C(=O)Cc2noc3ccccc23)C[C@H]1N1CCOCC1 84735893 ZFBFRPTWBZILSD-RHSMWYFYSA-N 343.427 1.940 0 40 EDAB CC1(C)CN(S(=O)(=O)c2cccc3cccnc23)CC[S@]1=O 95417531 PNHQFWZLNFEFOR-NRFANRHFSA-N 338.454 1.766 0 40 EDAB CC(C)[C@](C)(O)CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 89238434 QIINURSWQMHHRB-QFBILLFUSA-N 347.459 1.884 0 40 EDAB CCOc1ccc(CCC(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1 75140599 DQMXMLPANDFNAB-KRWDZBQOSA-N 334.416 1.381 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 409393976 ZRSCQXUXHPZWBH-UHFFFAOYSA-N 348.424 1.598 0 40 EDAB CCN(CC)C[C@@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1 306134796 NYJGMEQUVXFXHQ-AWEZNQCLSA-N 330.436 1.452 0 40 EDAB Cc1cccc(OCCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 32816288 JVPOWUIMLAXQFE-LBPRGKRZSA-N 344.333 1.901 0 40 EDAB COc1c2c(c(CNC(=O)C3CC3)c3c1C(=O)N(C)CC3)OCO2 524731846 MIFQRTIQUUZRNF-UHFFFAOYSA-N 332.356 1.078 0 40 EDAB biogenic CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408601865 CACAMVSFVIEGBX-ZJUUUORDSA-N 348.852 1.930 0 40 EDAB COC(=O)CCCC[C@H]1SC[C@@H](NC(=O)c2ccccc2)[C@H]1O 4996145 MKXMYDFBYDXTMK-IIAWOOMASA-N 337.441 1.995 0 40 EDAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccc(F)cc2F)n1 211098561 IUBYUJDGXBFVPB-UHFFFAOYSA-N 342.371 1.608 0 40 EDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccccc1 224357939 LUXIXGMDRPFHFO-UHFFFAOYSA-N 327.388 1.632 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@H](O)c2csc3ccccc23)no1 225698063 ASZUEIGQNXTIEX-LBPRGKRZSA-N 345.380 1.986 0 40 EDAB CCCc1cc(=O)oc2cc(OCCN3C(=O)CNC3=O)ccc12 40068585 NILWQWOEYBELPA-UHFFFAOYSA-N 330.340 1.676 0 40 EDAB CC1=C(C(=O)NC(C)(C)c2ncc(C)s2)Cn2nnnc2N1C 225561959 YQLXDIVPZNUDKE-UHFFFAOYSA-N 333.421 1.213 0 40 EDAB CSCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C)c(F)c1 75157620 FWFKDLLAMPMMRQ-HNNXBMFYSA-N 328.409 1.693 0 40 EDAB O=C(NCCn1nc(-n2ccnc2)ccc1=O)c1ccc(F)cc1F 75163008 IXBDUPCTMKWDBU-UHFFFAOYSA-N 345.309 1.137 0 40 EDAB CO[C@@H](C)CS(=O)(=O)Nc1cccc(-n2cc(C)[nH]c2=O)c1 225750283 SBDDRJKTBMMPRZ-NSHDSACASA-N 325.390 1.251 0 40 EDAB CO[C@@]1(C(=O)O)CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 530170740 UQCJIKHIEYYUEG-JSGCOSHPSA-N 333.306 1.914 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(N)=O)c(Cl)cc1F 96472726 OJZBBDSBFDLTEB-GZMMTYOYSA-N 334.800 1.720 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@H](n3ccnn3)C2)sc1C 331847359 QGIUDETVLLSHAU-LBPRGKRZSA-N 326.447 1.982 0 40 EDAB N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)Cn2nnc3ccccc32)C1 583619887 VMCDRTRRVJULQU-JOYOIKCWSA-N 327.310 1.312 0 40 EDAB CCc1cnccc1C(=O)N1CC[C@@](O)(c2cn(C(C)C)nn2)C1 583618740 COMAIDVWFKBNRF-KRWDZBQOSA-N 329.404 1.550 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@@H]2CCN(Cc3ccoc3)CC[C@@H]21 96249482 HHJDPSPTYHJBCN-JKSUJKDBSA-N 340.445 1.437 0 40 EDAB O=C(c1csnn1)N1CCO[C@@H]2[C@H](CNc3cccnc3)CC[C@H]21 96082609 WHFIKGWGAVNSFD-NILFDRSVSA-N 345.428 1.665 0 40 EDAB CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1ccccn1)C2 96060869 FPSWXKCTRKDYCM-HNNXBMFYSA-N 344.463 1.371 0 40 EDAB C[C@](O)(CNC(=O)c1cccnc1-n1cccn1)c1cccs1 96450333 VLAHFTVLADBWEP-INIZCTEOSA-N 328.397 1.966 0 40 EDAB C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(N2CCC(O)CC2)cc1 580693538 VAJRJPNFKWTDTM-WBMJQRKESA-N 331.416 1.045 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(C(=O)/C=C/c3ccc(C)o3)CCO2)n1 96432799 PCBLKMGSHDQTBP-FYCOFBDGSA-N 330.388 1.737 0 40 EDAB C[C@@]12CC[C@@H]3C[C@]1(C(N)=O)N(NC(=O)Cc1ccccc1)C[C@]32C 245241312 ACGCPENRHIWURT-DQEVTTJGSA-N 327.428 1.626 0 40 EDAB COc1ccccc1CN1CC2(C[C@H](OCC(=O)N(C)C)CCO2)C1 247987885 KWORTLICLGUPBN-MRXNPFEDSA-N 348.443 1.533 0 40 EDAB CC(=O)N1CCn2cc(C(=O)NCCc3cccs3)nc2[C@@H]1C 247913811 FIQPIJMGPXZSLM-NSHDSACASA-N 332.429 1.840 0 40 EDAB O[C@@H](COc1cc(Br)ccc1F)CN1CCOCC1 180799090 SLTWFOZEWFCKPU-LLVKDONJSA-N 334.185 1.660 0 40 EDAB Cc1ccnc([C@@H]2CN(Cc3ccc(OCC(=O)O)cc3)CCO2)n1 257279811 OIGFEJWIQVGDTQ-INIZCTEOSA-N 343.383 1.822 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCN2C)cc1 257318864 VPSFZVKYXRRCQO-QGZVFWFLSA-N 341.411 1.523 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](CO)c2ccccn2)c1 585087833 VPCKYNLGQUBDOE-GUYCJALGSA-N 328.368 1.901 0 40 EDAB CN[C@@H]1CO[C@@H]2CCN(C(=O)c3ccc(C)s3)C[C@@H]2C[C@@]1(C)O 257210498 BUXPXTSQHIHFTE-TZDHZFECSA-N 338.473 1.647 0 40 EDAB C[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)cc2Cl)C1 585121825 BGTNRIMIRSDVTA-GXSJLCMTSA-N 347.820 1.820 0 40 EDAB CC(C)NS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)n1ccnc1 585114849 CJDUPXGMQKYNTA-AWEZNQCLSA-N 342.852 1.958 0 40 EDAB O=C(Nc1cc(Cl)ccc1O)[C@H]1C[C@H](O)CN1c1ccncn1 585122256 UDMPGAYPVHJEJL-CMPLNLGQSA-N 334.763 1.414 0 40 EDAB CCOc1ccc2nnc(CNC(=O)c3ccc4[nH]cnc4c3)n2n1 252510555 ZNPNYYZGMRQBEM-UHFFFAOYSA-N 337.343 1.329 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1O)c1c[nH]cn1 257331002 XQYUQHWGQGJZKH-ZIAGYGMSSA-N 338.770 1.177 0 40 EDAB O=C(COc1cccc(F)c1)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257343441 ZTBMUMKGHUUTCA-JFIYKMOQSA-N 336.407 1.699 0 40 EDAB COc1ccc2nnc(CNC(=O)c3c(F)cccc3Cl)n2n1 252492144 MEEBNELYFYOJJG-UHFFFAOYSA-N 335.726 1.855 0 40 EDAB Cc1ncc(C(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)c(C)n1 257309892 UCVJHHWGVYUKGL-CQSZACIVSA-N 343.387 1.063 0 40 EDAB COC[C@]1(C(=O)O)CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1 262897600 DKOFNRTXIIRRHH-KRWDZBQOSA-N 332.356 1.740 0 40 EDAB CCOc1nc(C)ccc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 276698265 WLNHQONKGXGTFI-CQSZACIVSA-N 329.404 1.933 0 40 EDAB COC(=O)c1nc(=NCc2ccnc(N3CCCCC3)c2)cc(C)[nH]1 1615548124 BSCLCVKCHSNCQO-UHFFFAOYSA-N 341.415 1.991 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CC[C@@H](Oc2ncc(F)cn2)C1 390829565 ZULKZPDPJKIQBK-LLVKDONJSA-N 345.359 1.914 0 40 EDAB O=C(Cc1noc2ccccc12)N1CC[C@@H](Oc2ncc(F)cn2)C1 390827810 KMUHKALDCBACPX-GFCCVEGCSA-N 342.330 1.979 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)C3CCC3)C[C@@H]21)c1ccccc1 575402692 ASNFODGZQYYLBM-BRWVUGGUSA-N 328.412 1.690 0 40 EDAB CSc1ncccc1C(=O)NCc1nc(N(C)C)nc(N(C)C)n1 575605612 LPLYVNOTCSPPIO-UHFFFAOYSA-N 347.448 1.051 0 40 EDAB CCn1c2c(ccc1=O)C[C@H](NC(=O)Cc1ccc(F)cn1)CC2 585110669 ZGISJUVFTBAMFT-OAHLLOKOSA-N 329.375 1.619 0 40 EDAB CN(C)C[C@H]1CCn2nccc2CN1C(=O)COc1ccc(F)cc1 585098585 ZLVVXPVILTZKIR-OAHLLOKOSA-N 346.406 1.764 0 40 EDAB CC(C)NC(=O)[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@@H]2CCO[C@H]12 585109183 ZDDMSLLKOUULFY-BFYDXBDKSA-N 334.391 1.509 0 40 EDAB CNc1ncc(CN2CC[C@@](COc3ccccc3C)(OC)C2)cn1 585278546 UBZIEMNOFPBKLB-LJQANCHMSA-N 342.443 2.497 0 40 EDAB O[C@@H]1[C@@H](NCCN2CCOCC2)CCC[C@H]1Oc1cccc(F)c1 585288987 CMRRAUXCHCVNMV-RCCFBDPRSA-N 338.423 1.408 0 40 EDAB CC(C)(C)c1cc(N2CCN(c3ccc4nncn4n3)CC2)ncn1 685270010 DZBHKMAOZUDCNH-UHFFFAOYSA-N 338.419 1.538 0 40 EDAB O=C(NCCN1CCCCC1)NCc1cccnc1N1CCOCC1 45209607 VRDWDYBLVKCMFP-UHFFFAOYSA-N 347.463 1.203 0 40 EDAB O=C(NCCCCN1CCN(c2ccccc2)CC1)N1CCOCC1 56330441 LHHMMZRTUGYGCT-UHFFFAOYSA-N 346.475 1.631 0 40 EDAB O=C(CN1CCO[C@H](Cn2cccn2)C1)N1CCC[C@H]2CCCC[C@@H]21 69376517 NFDARPZBRCMYRB-SQNIBIBYSA-N 346.475 1.765 0 40 EDAB CC(C)(NCC(=O)NCC(F)(F)F)c1ccc2c(c1)OCCO2 69388526 XNHCXHBYRPHBGT-UHFFFAOYSA-N 332.322 1.961 0 40 EDAB CC(=O)NCCNC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 69512301 OTIAHWMLFIQUAV-UHFFFAOYSA-N 347.806 1.664 0 40 EDAB O=C(CN1CCNC(=O)[C@@H]1c1cccs1)NCc1ccc(F)cc1 72799859 HTFUHHSNOUCYLW-INIZCTEOSA-N 347.415 1.677 0 40 EDAB C[C@]1(C(F)(F)F)CN(C(=O)c2cnn3ccc(N)cc23)CCO1 1615550676 YUMIXLZJSPCXNE-CYBMUJFWSA-N 328.294 1.710 0 40 EDAB Cc1cc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)sc1C 1615614994 LWVFCIURBDFMKV-UHFFFAOYSA-N 343.470 1.785 0 40 EDAB O=C(NS(=O)(=O)c1cc(Br)ccn1)C1CCCC1 1615831695 ONOHTEANYZLKBP-UHFFFAOYSA-N 333.207 1.839 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@H](O)c1ccc(-c2ccco2)s1 1775967911 GDQQGNPGNGXSHO-JTQLQIEISA-N 348.380 1.307 0 40 EDAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@@H](C)C(=O)O)CC1)O2 12087119 TVEWRJZYGKEPDB-SGTLLEGYSA-N 346.383 1.342 0 40 EDAB Cc1cc(NC(=O)CN2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)no1 19119510 PFXOGDIENSOVFO-MPYYAJLASA-N 345.403 1.170 0 40 EDAB C[C@]1(CNc2nc(CCCN3CCCC3=O)cc(=O)[nH]2)CCCO1 19461246 FOZXAHFMCRXXDT-QGZVFWFLSA-N 334.420 1.306 0 40 EDAB CCN1CCN(c2nc(O)cc(Cc3ccc(OC)cc3)n2)CC1 19528243 DSATUXZGGJJIBB-UHFFFAOYSA-N 328.416 1.924 0 40 EDAB COc1ncc(C(=O)Nc2cccc(CN3CCOCC3)c2)cn1 19572061 MMHNGYLMGKKCOZ-UHFFFAOYSA-N 328.372 1.570 0 40 EDAB CC(=O)N1CC[C@H](c2nn(CCNC(=O)C3CC3)c3ncccc23)C1 19016447 BQGURJXRJKCUBQ-AWEZNQCLSA-N 341.415 1.293 0 40 EDAB CO[C@@H](CNS(=O)(=O)c1cn(C)cn1)c1ccccc1Cl 206854086 IFGMICCGRVGUEW-LBPRGKRZSA-N 329.809 1.740 0 40 EDAB CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1ccccc1C(F)(F)F 643586169 BTKSNNWPNYGZEK-WQAKAFBOSA-N 333.306 1.146 0 40 EDAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CC(OCC(F)(F)F)C1 390829626 FNIIYXTXQPXFGZ-LLVKDONJSA-N 342.317 1.829 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc3nc(C(C)(C)C)cn3n2)CC1 1888876144 NEANMRHMKDDFBV-UHFFFAOYSA-N 329.404 1.331 0 40 EDAB Cc1cnc(N(C(=O)N2CCOCC2)C(=O)N2CCOCC2)s1 1888922206 NYAZVUVASQGHCX-UHFFFAOYSA-N 340.405 1.162 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 28325160 UEUIIYFTHDVLME-ZDUSSCGKSA-N 346.811 1.911 0 40 EDAB CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@]12CCNC2 953019116 NEMJYEUCQOALCQ-MAUKXSAKSA-N 332.400 1.798 0 40 EDAB CCCCOc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 40473105 NOURMCBBSFEZFS-UHFFFAOYSA-N 340.445 1.583 0 40 EDAB Cc1cccnc1C(=O)N1CC[C@H]2C[C@]21C(=O)NCc1cccnc1 2056224369 ZXTQKWAPJWOUFE-HNAYVOBHSA-N 336.395 1.706 0 40 EDAB O=C(NCCn1ccc2ccoc2c1=O)c1cnc(O)c(Cl)c1 245060694 PWNFHUHXPLIWGY-UHFFFAOYSA-N 333.731 1.779 0 40 EDAB Cc1nsc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)n1 2298045040 CDNRVHLNGFOGRI-UHFFFAOYSA-N 344.444 1.917 0 40 EDAB O=c1[nH]nc2c(N3CC[C@H](NCc4c[nH]c5ccccc45)C3)nccn12 67350128 FKFPXEZTNACCOK-ZDUSSCGKSA-N 349.398 1.267 0 40 EDAB Cc1nc2c(c(N3CCC(NC(=O)[C@H]4CCOC4)CC3)n1)CCCC2 225739034 RVLGCRBXDBHORC-AWEZNQCLSA-N 344.459 1.785 0 40 EDAB O=C(COc1ccc(/C=C2/NC(=O)NC2=O)cc1)Nc1ccccc1 72272 MOWKVVONDXMTTC-XNTDXEJSSA-N 337.335 1.884 0 40 EDAB COc1cc([C@@H](NC(C)=O)C(C(C)=O)C(C)=O)ccc1OC(C)=O 100240754 BQOQAEHUAWHFAG-QGZVFWFLSA-N 335.356 1.592 0 40 EDAB O=C(NCc1nnc2n1CCC2)N1CCN(c2ccccc2)CC1 40487716 PWUBWOJCCDYVOA-UHFFFAOYSA-N 326.404 1.256 0 40 EDAB COc1cccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 100646847 UIEIXODWPYQDNI-BRKCAASYSA-N 345.351 1.375 0 40 EDAB Cc1csc2nc(COC(=O)CN(C)c3ncccn3)cc(=O)n12 31660299 CWHQLOAJGDONPL-UHFFFAOYSA-N 345.384 1.034 0 40 EDAB COc1ccccc1CNC(=O)N(C)CCN(C)C1CCN(C)CC1 40555001 NTHXCJCJDFHGKZ-UHFFFAOYSA-N 348.491 1.863 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)o1 40540901 FVGGQTWGJVJULD-GFCCVEGCSA-N 343.387 1.802 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1nnc2ccccc2c1=O 40534949 NGBRBAXVYOKWIN-CJNGLKHVSA-N 344.415 1.503 0 40 EDAB C[C@@H](C(=O)N(C)C)N(C)Cc1cccn1S(=O)(=O)c1ccccc1 67821922 DAXLKTRGPMMECF-AWEZNQCLSA-N 349.456 1.634 0 40 EDAB Cc1cc(NC(=O)CSc2nnnn2Cc2ccccc2)no1 1353836 NCIBVZRYQCJOOS-UHFFFAOYSA-N 330.373 1.749 0 40 EDAB CC(=O)N1CCCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 29353360 FJGVTQCLZSUAHU-UHFFFAOYSA-N 347.440 1.786 0 40 EDAB C[C@@H]1CN(CCCN2CCCC2=O)CCN1C[C@H](O)c1ccccc1 69846240 JZRZTSXAMTYVPS-MJGOQNOKSA-N 345.487 1.739 0 40 EDAB CC(C)C[C@@H](c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1 4874236 XCAHYNXEMCEZSU-HNNXBMFYSA-N 346.435 1.599 0 40 EDAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(N)=O)cc1 6356975 QSFIKKDOIVZYNI-UHFFFAOYSA-N 334.397 1.371 0 40 EDAB Cc1cc(C(=O)Nc2cccc(NC(N)=O)c2)ccc1-n1cnnn1 46328808 NOHPGKOMNIQLTF-UHFFFAOYSA-N 337.343 1.714 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Oc1ccc(F)cc1 101375150 JNRORLUEXNJJDR-HGDXVPPDSA-N 341.338 1.784 0 40 EDAB Cn1ccnc1SCCNC(=O)Cn1c(=O)oc2ccccc21 32748237 ANQVFTUADQDWMQ-UHFFFAOYSA-N 332.385 1.237 0 40 EDAB CN(C)C(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 8129556 WQUORMLRFMWBAE-UHFFFAOYSA-N 336.355 1.616 0 40 EDAB COCCCNC(=O)CN1CCN(C(=O)c2ccc(C)c(C)c2)CC1 52567380 ZOIGZRROAYKLJO-UHFFFAOYSA-N 347.459 1.214 0 40 EDAB CC(C)[C@H]1NC(=O)N(CC(=O)N(C)Cc2ccc(Cl)s2)C1=O 32907878 IRMXGKVVHQZETC-GFCCVEGCSA-N 343.836 1.936 0 40 EDAB Cc1cccc(Cn2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)c1 102603243 UZRFOVBQZBITPB-JHNDHUHGSA-N 337.379 1.907 0 40 EDAB CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 548733 CWIYXQGIFONLJE-HUUCEWRRSA-N 334.347 1.485 0 40 EDAB CCNS(=O)(=O)c1cccc(C(=O)NOCc2ccccc2)c1 25283528 NWFCXRDNGIEQKG-UHFFFAOYSA-N 334.397 1.846 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccccc1O 22024285 NLKJSTNOJAOAFY-UHFFFAOYSA-N 325.324 1.424 0 40 EDAB O=C(NC[C@H]1COc2ccccc2O1)c1ccnc(-n2cncn2)c1 53759640 MISASEUIVQBRTF-ZDUSSCGKSA-N 337.339 1.232 0 40 EDAB CCCCN1C(=O)C[C@H](N2CCN(Cc3ccccc3)CC2)C1=O 101163497 DVRPOFDOWMVYGL-KRWDZBQOSA-N 329.444 1.732 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC(C)(C)CN(C)C)C1 42386517 RIKDFGXPNDLYHC-CQSZACIVSA-N 347.525 1.142 0 40 EDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2ccccc2F)n1 102015095 SCCKDFZGMNKFEP-DARAHFNDSA-N 341.342 1.737 0 40 EDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1c(F)cccc1F 47636326 YSTKTUJRWNWSFM-DOMZBBRYSA-N 340.370 1.432 0 40 EDAB Cc1nc(COc2ccc(C(=O)N3CCNC(=O)C3)cc2)cs1 23787350 CWFIWPRIBHSNPA-UHFFFAOYSA-N 331.397 1.603 0 40 EDAB COC(=O)[C@@H]1C[C@H](Oc2ccc(OC)cc2Br)CN1 42783065 DNFAPEBPCQRHKT-ONGXEEELSA-N 330.178 1.740 0 40 EDAB C[C@H]1CN(CCNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C[C@@H](C)O1 42700445 CHMOIATVYDSBOU-TYNCELHUSA-N 349.406 1.477 0 40 EDAB CCCOc1ccc(N2C(=O)C[C@@H](NC[C@@H]3CCCO3)C2=O)cc1 100833789 OIAOBFQEZWKYEY-JKSUJKDBSA-N 332.400 1.876 0 40 EDAB CCOC(=O)C1=C(CN(CC)CCO)NC(=O)N[C@@H]1c1ccccc1 24672609 OTEZFVIOCPRQAW-MRXNPFEDSA-N 347.415 1.172 0 40 EDAB O[C@H]1[C@H](NCc2ccc(F)cc2)[C@H]2CO[C@H](O2)[C@@H]1Oc1ccccc1 20463731 HIAINBUYLKFVGB-UJWQCDCRSA-N 345.370 1.848 0 40 EDAB biogenic,in-vitro CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O 1576108 CWMXJBNCYBDNTJ-GXTWGEPZSA-N 336.388 1.917 0 40 EDAB O=C(COC(=O)CN1C(=O)COc2ccccc21)NC1CCCCC1 24922363 ATQAJNOATPDMHQ-UHFFFAOYSA-N 346.383 1.404 0 40 EDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35375073 OBEZRCYYBPFVDT-HLXGQMLPSA-N 327.384 1.225 0 40 EDAB C[C@@H]1CC(C)(C)[C@@H](CNC(=O)c2ccon2)[C@H]1NC(=O)c1ccon1 108457350 BKLUWVDMCLJMQS-SUNKGSAMSA-N 346.387 1.873 0 40 EDAB O=C(c1cc2ccccc2o1)N1CCN(C(=O)N2CCOCC2)CC1 27356316 DJVSQTNVAJKUPU-UHFFFAOYSA-N 343.383 1.643 0 40 EDAB NC(=O)c1ccc(Cn2nnn(-c3ccccc3Cl)c2=O)cc1 10198620 MWHVMDXSZGIGNJ-UHFFFAOYSA-N 329.747 1.230 0 40 EDAB O=C(CN1CCCC[C@H]1C(=O)N1CCCC1)NCc1ccccc1 58265957 XHETYJGLJNLURO-KRWDZBQOSA-N 329.444 1.780 0 40 EDAB O=C1NCCCC[C@H]1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 44968042 GLLPLFBQMFEZHM-HUUCEWRRSA-N 335.379 1.577 0 40 EDAB CCOCCCNC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 58300508 BHJCQNWIMUSAKR-UHFFFAOYSA-N 343.445 1.792 0 40 EDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2sccc2Br)C1 62132800 NUGCCUPKZQPLBY-ZCFIWIBFSA-N 340.220 1.606 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCCCNC(=O)c1ccccc1F 58433962 FCTAAEHIQMLILU-UHFFFAOYSA-N 347.438 1.843 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(N2CCOCC2)nc1 45375957 NCVXPJFMQIYRGA-INIZCTEOSA-N 348.447 1.486 0 40 EDAB C[C@@H](NC(=O)CC[C@H]1NC(=O)NC1=O)c1ccc2c(c1)CCCC2 48278240 ZDOWDZZVNIGEDU-IAQYHMDHSA-N 329.400 1.731 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N3CC=C(c4ccccc4)CC3)cnc21 12930369 UVBNIWOUMFUMTR-UHFFFAOYSA-N 349.394 1.446 0 40 EDAB COC[C@@H](C)NC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 69520572 UJJVGLJDKITBAY-OAHLLOKOSA-N 333.432 1.426 0 40 EDAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cnccn2)C[C@H](C)O1 13005352 LYSPVBGNLXBACE-STQMWFEESA-N 340.383 1.978 0 40 EDAB Cc1nc(CN2CCCN(C(=O)c3cccn(C)c3=O)CC2)cs1 69655754 MIFHWVBXCXHGDB-UHFFFAOYSA-N 346.456 1.498 0 40 EDAB Cc1cccc(NC(=O)[C@H](C)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 16378959 NQTPKLLOBHDNPN-DOTOQJQBSA-N 345.443 1.645 0 40 EDAB O=S1(=O)CC[C@@H](S(=O)(=O)Nc2cccc(C(F)(F)F)c2)C1 8024800 KYZCXPVZPNAONV-SNVBAGLBSA-N 343.348 1.634 0 40 EDAB O=C1NC[C@H]2CN(Cc3ccccc3OCc3ccccn3)CCN12 91864610 NFOCYYICEGMNFB-KRWDZBQOSA-N 338.411 1.870 0 40 EDAB COC(=O)[C@H]1[C@@H](/C=C/c2ccccc2)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O 4309571 QIHLJTBQJBLTBV-ULNJTSSQSA-N 346.379 1.618 0 40 EDAB CCN1CCC[C@@H](CNC(=O)CCn2c(=O)oc3ccccc32)C1 69138357 NRJDXCCKXIPBHN-AWEZNQCLSA-N 331.416 1.833 0 40 EDAB O=C(NCCc1ccc(F)cc1)c1ccc2c(=O)[nH][nH]c(=O)c2c1 14095074 FVCKBFRKDSJUTM-UHFFFAOYSA-N 327.315 1.328 0 40 EDAB Cc1ccc(NC(=O)CCNS(=O)(=O)N2CCCC2)c(Cl)c1 69705364 UECWOAHZNSLOIA-UHFFFAOYSA-N 345.852 1.907 0 40 EDAB CS(=O)(=O)NCCOC(=O)c1cccn1CCc1ccccc1 65551097 CFPNBXICINKUPJ-UHFFFAOYSA-N 336.413 1.437 0 40 EDAB O[C@H](CN1CCc2ncnc(N3CCOCC3)c2C1)c1ccccc1 65536208 OWTTVZCSZYQOQI-GOSISDBHSA-N 340.427 1.405 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1 65550005 YNRKSYPTJGCPPQ-MFKMUULPSA-N 346.449 1.804 0 40 EDAB Cc1nc(C)c(CCC(=O)NCCCN(C)c2ccccc2)c(=O)[nH]1 65563343 SGYCDJGZQAJOCZ-UHFFFAOYSA-N 342.443 1.962 0 40 EDAB O=C(CSc1nc2c3ccccc3ncn2n1)N1CCOCC1 14134880 HIAMHVDCQRVXIH-UHFFFAOYSA-N 329.385 1.228 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCc2cccs2)CC1 69703005 NQXSHUWGQXJRIT-OAHLLOKOSA-N 335.473 1.621 0 40 EDAB C[C@@H](OC(=O)C1CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5507685 YMLOSJDBLIWHPC-SNVBAGLBSA-N 340.401 1.394 0 40 EDAB O=C1Nc2ccc(Cl)cc2[C@@]1(O)Cc1n[nH]c(=O)c2ccccc12 6650563 WVHAWPWDKZRPQF-KRWDZBQOSA-N 341.754 1.959 0 40 EDAB Cn1c(O)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)nc1=O 5626165 OMULGNPTDCHQRL-UHFFFAOYSA-N 329.234 1.637 0 40 EDAB COc1ccccc1CC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 8394084 MQFAUINIFBZQNH-LBPRGKRZSA-N 348.424 1.763 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCCC1 5855042 DQGVEPXXLHJMEE-UHFFFAOYSA-N 325.434 1.280 0 40 EDAB O=C(NCCc1ccc(F)cc1)[C@H]1CS(=O)(=O)c2ccccc2O1 69417856 IUSZIPBRDUEADI-OAHLLOKOSA-N 349.383 1.719 0 40 EDAB CC(C)NC(=O)CCNC(=O)NCc1ccc(OCC2CC2)nc1 69486743 SZYKQPJTOQZKHG-UHFFFAOYSA-N 334.420 1.584 0 40 EDAB Cc1noc(Cn2nc(-c3ccc4c(c3)OCCCO4)ccc2=O)n1 69485365 RBAAZKWETKDRMZ-UHFFFAOYSA-N 340.339 1.811 0 40 EDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1COc2ccccc2O1 6993153 GBGHYTSUJICPMQ-CYBMUJFWSA-N 345.355 1.112 0 40 EDAB COCCN(CC(=O)OC)C(=O)c1ccc(OC(F)F)c(OC)c1 69810773 DTZZIXKMTCHMEA-UHFFFAOYSA-N 347.314 1.558 0 40 EDAB NC(=S)NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18117074 NSAGLPVITJXVIW-STONLHKKSA-N 349.415 1.627 0 40 EDAB Cn1nccc1CNS(=O)(=O)c1cc(F)ccc1Br 89741131 RNWVUMGKWRXJIF-UHFFFAOYSA-N 348.197 1.800 0 40 EDAB CCN(CC)CCCNC(=O)COCC(=O)Nc1ccc(F)cc1 9763673 YMBWUQINSNMCFH-UHFFFAOYSA-N 339.411 1.629 0 40 EDAB Nc1nc(N[C@@H]2CCN(c3ncccc3F)C2)cc(-n2cccn2)n1 92921038 MHEJOCIJGHWPNG-LLVKDONJSA-N 340.366 1.469 0 40 EDAB COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccccc1OC 9094807 UIEGYQJMPAQIAH-UHFFFAOYSA-N 342.351 1.850 0 40 EDAB O=C(O)c1nccnc1C(=O)Nc1cc(Cl)ccc1-n1cncn1 71283979 BTSMNUZTWHTUTP-UHFFFAOYSA-N 344.718 1.661 0 40 EDAB C[C@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C(=O)O 9530589 NLBWBTPRTXMCDR-NSHDSACASA-N 344.371 1.108 0 40 EDAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NC1CCN(CC(N)=O)CC1 71800792 QSOOKKJSHZTJPH-UHFFFAOYSA-N 346.406 1.224 0 40 EDAB C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCO[C@H](Cn2cncn2)C1 71876496 ABMZJDBZRDJLSM-RDJZCZTQSA-N 343.431 1.026 0 40 EDAB CN1CCCC[C@H]1CN1CCN(C(=O)COc2ccccc2)CC1 71885855 ZVAPNYRJKAFQAT-KRWDZBQOSA-N 331.460 1.694 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cn1 72234176 JKKBSDKNZCJWHT-OAHLLOKOSA-N 341.415 1.769 0 40 EDAB CCc1ccc(C(=O)NC[C@H](C)C(=O)NCCCc2c[nH]nc2C)o1 72285336 MQGYVFIVNISTLH-LBPRGKRZSA-N 346.431 1.988 0 40 EDAB COC(=O)CN1CCCN(C(=O)CCCOc2ccccc2C)CC1 72297792 JGHOTXKFEMAFLM-UHFFFAOYSA-N 348.443 1.861 0 40 EDAB O=C1[C@H]2CCCN2C(=O)N1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 97083772 SZVMZZHALCJTIV-CYBMUJFWSA-N 349.753 1.986 0 40 EDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccnc(N(C)C)c1 97109459 DSXCWHCKMKGMIO-LBPRGKRZSA-N 346.456 1.746 0 40 EDAB Cc1nn(CC(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)c(C)c1Cl 76051173 KJLCCWVJAIULOK-FZMZJTMJSA-N 340.855 1.332 0 40 EDAB CCn1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cn1 95445806 JAOPFFZSGFKVLE-INIZCTEOSA-N 326.400 1.824 0 40 EDAB Cc1cc(NC(=O)CN[C@@H](C)c2ccc(-n3ccnn3)cc2)n(C)n1 95986067 UAHWSNNDDHFPAD-ZDUSSCGKSA-N 339.403 1.599 0 40 EDAB CC(=O)c1nc(CCN(C)C[C@@H](O)COCc2ccccc2)[nH]c1C 89547790 JHVMEPHDNDDYIY-QGZVFWFLSA-N 345.443 1.973 0 40 EDAB CSCC[C@H]1NC(=O)N(Cc2nc(CCC(C)C)no2)C1=O 75147236 IWSXFKQFJYPEAD-SNVBAGLBSA-N 326.422 1.832 0 40 EDAB CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3ccncc3)n[nH]2)CC1 64875407 RLVDTXYGOBTCQJ-UHFFFAOYSA-N 344.419 1.919 0 40 EDAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(N)=O)c1 489937 JGXHIHIXFGOQGH-ATZDWAIDSA-N 348.443 1.857 0 40 EDAB biogenic O=C(N[C@@H]1CCOC[C@]12CCN(Cc1ccccn1)C2)N1CCCC1 306135692 OXXQELVUKWZOGS-IEBWSBKVSA-N 344.459 1.868 0 40 EDAB CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)N(C)CC(F)(F)F 548758968 LGFXIXHKJNWTKS-UHFFFAOYSA-N 341.374 1.806 0 40 EDAB O=C(NCCCN1CCOCC1)c1ccc(Cn2cccn2)cc1 32611554 WXOSPGWOPTYCBP-UHFFFAOYSA-N 328.416 1.384 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1 72237968 RPUUXGBTRBENNT-DLBZAZTESA-N 325.368 1.296 0 40 EDAB CC(C)C(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980576 WMQGSKCNVRFEOY-INIZCTEOSA-N 346.427 1.947 0 40 EDAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cnn2cccnc12 72324309 VHYHROIWVDLSPM-LLVKDONJSA-N 337.339 1.456 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)C1=CCCCC1 187627341 CVRFEFXJRQPMJM-UHFFFAOYSA-N 342.443 1.737 0 40 EDAB NC(=O)c1cccc(C[C@H]2COCCN(C(=O)c3ccccc3)C2)n1 72382793 TZELVXZTXQAVMI-CQSZACIVSA-N 339.395 1.512 0 40 EDAB Cc1cc(C)nc([C@@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)n1 72369755 QYSZONMBIDZELZ-CYBMUJFWSA-N 335.433 1.314 0 40 EDAB CCN(C(=O)OCc1ccccc1)[C@H]1CCCN(C(=O)[C@H](C)N)C1 79412858 KSFWCZYOIPKJBX-HOCLYGCPSA-N 333.432 1.983 0 40 EDAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2nccs2)cc1 79243078 BWJRFTULVIDBNB-UHFFFAOYSA-N 325.415 1.623 0 40 EDAB O=C([C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(F)c1)N1CCOCC1 79001331 MUDYBZRKZPQGMN-GVDBMIGSSA-N 346.402 1.779 0 40 EDAB O=S(=O)(CCc1ccccc1)N1CC[C@H](Oc2cnsn2)C1 675007928 DWLWBSJXHBYUDL-ZDUSSCGKSA-N 339.442 1.564 0 40 EDAB Cc1nc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2O)c(C)o1 563700657 JGCLXTOPTFFSFM-BDAKNGLRSA-N 332.360 1.785 0 40 EDAB CCn1nc(C)c(C(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)c1C 567970150 JHJNLGRCKNESNT-LBPRGKRZSA-N 346.391 1.287 0 40 EDAB Cc1nc([C@H]2CN(C(=O)[C@@H](C)n3cnc4ccccc43)CCO2)n[nH]1 329103702 CGAKHNFYKXGSBG-IAQYHMDHSA-N 340.387 1.624 0 40 EDAB C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 195547648 XTJXBPHMJCPUQC-SECBINFHSA-N 348.296 1.510 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)COCc3ccccc3)C2)nn1 225439364 DUOKBXZUJYFZCJ-OAHLLOKOSA-N 343.383 1.682 0 40 EDAB O=C(CSc1nnc2ccccn12)N1CCC[C@@H](N2CCCC2)C1 195558044 HKRHWKXLUODRCH-CQSZACIVSA-N 345.472 1.908 0 40 EDAB CSc1ncccc1C(=O)NCc1nn(C)c(=O)c2ccccc12 75148848 UKNAJRVFRZQXDK-UHFFFAOYSA-N 340.408 1.980 0 40 EDAB Cc1ccc(-n2nnc(C(=O)NCCOc3ccc(F)cc3)n2)cc1 75163385 IPAVHWZLRKWSPO-UHFFFAOYSA-N 341.346 1.919 0 40 EDAB COc1ccccc1C1=NO[C@](C)(C(=O)NCc2cc(C)nn2C)C1 222283669 VCPAHLXMVWJZDY-SFHVURJKSA-N 342.399 1.937 0 40 EDAB O=C(Cc1ccccc1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 96067058 PYSBIJPFSWJKFU-KRWDZBQOSA-N 335.411 1.981 0 40 EDAB C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1Cc1ccccn1 96062021 BSSUXAQUHFYOPB-INIZCTEOSA-N 340.475 1.602 0 40 EDAB Cn1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccccc3)C2)cn1 96108496 GWQMHWNBUUJALG-MJGOQNOKSA-N 340.427 1.299 0 40 EDAB Cc1oncc1C(=O)N[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@@H]21 97953477 BLOVCOZCCYUOCS-CFVMTHIKSA-N 343.387 1.187 0 40 EDAB CC1CCN(C[C@@H]2OC[C@H](NC(=O)c3cccc(F)c3)[C@H]2O)CC1 514289682 YFAMOKGXANSVKM-YESZJQIVSA-N 336.407 1.416 0 40 EDAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N[C@H]2CCN(C)C2=O)cc1Br 96428146 TZXYMCTUHKBSBI-NSHDSACASA-N 347.234 1.267 0 40 EDAB COCCO[C@H]1CCN(Cc2cnn(C)c2)[C@H]1Cc1cccnc1 96200507 OIEWUBPTNSVQNP-ROUUACIJSA-N 330.432 1.664 0 40 EDAB Cc1cnn(CCCNC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 96474817 GXUPRYVFTFMTFG-INIZCTEOSA-N 329.404 1.840 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(CC3CCOCC3)CC2)N1 96061476 AUQXLVCQKFRZRB-KRWDZBQOSA-N 329.444 1.946 0 40 EDAB O=S(=O)(Cc1ccon1)NCc1cnn(Cc2ccccc2)c1 96427729 MDMZZZWTUOBPAI-UHFFFAOYSA-N 332.385 1.539 0 40 EDAB Cc1ccc(CCNC(=O)CN2CCN(c3ccccn3)CC2)cn1 96436494 UDIXKGGTJDRFPG-UHFFFAOYSA-N 339.443 1.266 0 40 EDAB O=C(C[C@H]1C[C@H]2CN(c3ncccn3)C[C@H]2O1)NCc1ccco1 96206068 IHHURSLZHIAGID-NWANDNLSSA-N 328.372 1.370 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)C[C@@H](Oc1ncccc1F)CO2 96107053 KSJJWPZQURLPDT-CYBMUJFWSA-N 337.395 1.311 0 40 EDAB COc1cc(NCc2cn3c(n2)CN(Cc2ccco2)CC3)ncn1 96068047 NNTMHUJLGBMEPL-UHFFFAOYSA-N 340.387 1.903 0 40 EDAB O=C(NC1CCCC1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 96188600 NIOMFOXOOBHRGS-CQSZACIVSA-N 328.420 1.864 0 40 EDAB Cc1noc(C)c1CC(=O)N(C)C[C@]1(O)CCN(c2ccccn2)C1 257204951 AXANTSRYNQCPFV-GOSISDBHSA-N 344.415 1.329 0 40 EDAB CNc1nccnc1[C@H]1CN(Cc2nc3ccccc3n2C)CCO1 257200218 ACMCOCPEHIEIBY-OAHLLOKOSA-N 338.415 1.979 0 40 EDAB C[C@@H]1CN(Cc2c(I)cnn2C)C[C@@H](C)O1 585136825 UHMOMURRGDVLKW-RKDXNWHRSA-N 335.189 1.634 0 40 EDAB CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)Cc2c(C)n[nH]c2C)C1 585131103 LWOAUVVUKJPRON-LBPRGKRZSA-N 345.403 1.485 0 40 EDAB CCN1C(=O)C[C@@H](C(=O)N(C)CCOC)[C@@H]1c1ccccc1OC 257307550 SZEMHSSQBFKPOD-PBHICJAKSA-N 334.416 1.710 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@@H](N2CCc3ccccc3C2)[C@@H]1O 257337789 YUJRURRGAMIQQI-YYIAUSFCSA-N 348.443 1.432 0 40 EDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2ccnc(N3CCCC3)c2)[C@H]1O 257338607 YYDZQTLELUBQGH-BFYDXBDKSA-N 333.432 1.682 0 40 EDAB O=C(CCCn1cccn1)NCc1ccnc([C@@H]2CCCOC2)n1 257251684 JRSLNRQIQXDWKE-CQSZACIVSA-N 329.404 1.664 0 40 EDAB C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)C3CC3)CCN21 253400884 MCEOBIGQRBUFSH-QUCCMNQESA-N 343.471 1.176 0 40 EDAB biogenic,in-vitro O=C(N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O)C1CCC(F)(F)CC1 257297071 RFRABQICHMCXCH-MGPQQGTHSA-N 332.391 1.152 0 40 EDAB Nc1cc(CC[C@@H]2CN(C(=O)CCCn3cccn3)CCO2)ccn1 257211881 CAXMKJULUTWJJL-MRXNPFEDSA-N 343.431 1.501 0 40 EDAB CN1c2ccccc2N(CC(=O)N2CCc3ccccc32)S1(=O)=O 253472361 LNDNYPHMJKYHPD-UHFFFAOYSA-N 343.408 1.777 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CCOC[C@@H]1c1ccn[nH]1 257332462 XXKJEQHMPPYOOS-OAHLLOKOSA-N 325.372 1.819 0 40 EDAB NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)CCc1ccc(F)cc1 257256564 KMAAIDZXBQSNOD-SFHVURJKSA-N 342.374 1.552 0 40 EDAB CO[C@H](CS(=O)(=O)N=[S@@](C)(=O)c1ccccc1)[C@@H]1CCOC1 1616035336 XNAAGGHQALSTPP-YOEYROIRSA-N 347.458 1.525 0 40 EDAB COc1ccc(S(=O)(=O)N2CCOc3ncccc3C2)c(C)c1 606443979 SNZLUMSAOBXDLF-UHFFFAOYSA-N 334.397 1.982 0 40 EDAB CC(C)(C)OC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](N)C(=O)O 87493205 HUGSUDASASBICX-NEPJUHHUSA-N 338.360 1.035 0 40 EDAB CCc1nn(Cc2cnnn2C)c(CC)c1I 1615588171 PAJPZLODVVAHOK-UHFFFAOYSA-N 345.188 1.789 0 40 EDAB COc1cccc2cc(C(=O)NC[C@H](O)Cn3ccccc3=O)oc12 96124321 DGEGZFKIOPTGRE-ZDUSSCGKSA-N 342.351 1.394 0 40 EDAB CN1CCC(CNCc2nnn(C(C)(C)C)n2)(N2CCCCC2)CC1 657378690 XQKHJRZLLZBPLL-UHFFFAOYSA-N 349.527 1.468 0 40 EDAB Cn1cccc1C(=O)NCC[C@@H]1CCOC12CN(C(=O)C1CCC1)C2 575403835 OWDGSFVPOZGLIP-OAHLLOKOSA-N 345.443 1.563 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3ccccc3)[C@H]2C1 575402467 AQBOSTMVHDQFJI-LMHBHQSJSA-N 328.412 1.546 0 40 EDAB CCn1cc(S(=O)(=O)N2CCC[C@H]2C(=O)c2ccccc2)cn1 585142194 REQIKLRGKZNLEU-HNNXBMFYSA-N 333.413 1.939 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1cncc(N2CCCC2=O)c1 585150374 RJWNIFWUNNEZDE-UHFFFAOYSA-N 327.388 1.489 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)NCCNC(=O)c1ccoc1 57008867 LQEFIKXAPHOLEG-UHFFFAOYSA-N 329.422 1.108 0 40 EDAB Cc1ccccc1OC[C@@H](C)NC(=O)NCCNc1cnccn1 56861678 GJZUGHUXZTUUSH-CQSZACIVSA-N 329.404 1.964 0 40 EDAB CN(C(=O)CN[C@H]1CCc2ncnn2C1)[C@H]1CCCc2ccccc21 69740422 PCIQUXZGHBXERC-RDJZCZTQSA-N 339.443 1.719 0 40 EDAB O=S(=O)(N1CCCC1)N1CCN(Cc2ccc(Cl)cn2)CC1 96496386 OYILKSPZUQRKEZ-UHFFFAOYSA-N 344.868 1.193 0 40 EDAB O=C(NCCc1ccc(O)cc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 77463620 VKJTXBVMUCNDCA-OAHLLOKOSA-N 339.395 1.495 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)N1CC[C@@H](Oc2nccs2)C1 585320872 WASZIBUEXKNSKH-SNVBAGLBSA-N 335.385 1.144 0 40 EDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)[C@H]1C[C@H]1c1ccccc1 1615204989 NBVLCVGFQCTFAQ-MXAVVETBSA-N 339.413 1.342 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)O)n2CC(C)C 12504661 LPQYOHUQOMNZJF-UHFFFAOYSA-N 336.392 1.360 0 40 EDAB Cc1ccc(C(=O)NCC(C)C)cc1S(=O)(=O)N1CCOCC1 15590734 YQSJRTWDKGGXDG-UHFFFAOYSA-N 340.445 1.402 0 40 EDAB CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc(C)c1C 19796876 VYWRFGDQZOFOCM-UHFFFAOYSA-N 339.461 1.728 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575605335 DERVOGKLTSEPGP-KGLIPLIRSA-N 327.384 1.597 0 40 EDAB CN(C1CCN(c2nc3ccc(F)cc3o2)CC1)S(C)(=O)=O 892018212 DCLHGWZSJCISEN-UHFFFAOYSA-N 327.381 1.827 0 40 EDAB Cc1oncc1C(=O)NCC1(N2CCOCC2)CCSCC1 1776008367 BROYRFPKCFSGIU-UHFFFAOYSA-N 325.434 1.311 0 40 EDAB Cn1c(=O)c(C(=O)Nc2ccc3c(c2)OCCO3)cc2cccnc21 5303683 NDMYYALKNZVVQY-UHFFFAOYSA-N 337.335 1.957 0 40 EDAB CCS(=O)(=O)NCCCn1nc(-c2ccc(C)cc2)ccc1=O 13798715 WNAHROZMIRFJKD-UHFFFAOYSA-N 335.429 1.548 0 40 EDAB C=CC(=O)N1CCC(Nc2ccccc2)(C(=O)NCCOC)CC1 2055754645 MBJYPPBFNLHHMO-UHFFFAOYSA-N 331.416 1.408 0 40 EDAB CC(C)N(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3cc[nH]n3)C2)O1 2055746225 BYWYQSGFQZDRKP-WMLDXEAASA-N 336.436 1.140 0 40 EDAB O=C(NCCn1nc2c(cc1=O)CCCC2)c1ccc2nccnc2c1 575620909 WMFYAJJKQFKWKP-UHFFFAOYSA-N 349.394 1.495 0 40 EDAB Cc1cc(C)nc(N2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)n1 585605577 DRTPXRLNUXSOCZ-UHFFFAOYSA-N 348.410 1.849 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cccc(F)c1 40162009 JKLSPDXZSAVCHG-BTDLBPIBSA-N 333.363 1.723 0 40 EDAB Cc1nn(C)c(Cl)c1CNC[C@@H](O)CN1CCc2ccccc2C1 30903519 RDHYVISWJDRPPB-MRXNPFEDSA-N 348.878 1.891 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1nc(Cc2ccccc2)no1 31646442 XIUOFESJMXNKPP-MRXNPFEDSA-N 344.396 1.588 0 40 EDAB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1cnn(C)c1 40513642 DCEQEUSYKPOWDI-UHFFFAOYSA-N 334.445 1.841 0 40 EDAB CN(CCn1nc2ccccn2c1=O)CC(=O)N(C)C1CCCCC1 40540769 PIWKYFSYVKCAFW-UHFFFAOYSA-N 345.447 1.219 0 40 EDAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CCn2cncn2)C1=O 69618181 BGQVVKQNSONMMV-GOSISDBHSA-N 335.367 1.899 0 40 EDAB CN(C)c1cc(C(=O)NC2CCN(c3ncccn3)CC2)ccn1 40535621 ILRNXZOZYODSHK-UHFFFAOYSA-N 326.404 1.336 0 40 EDAB CCn1cc(Br)cc1C(=O)N1CCO[C@H](CC(=O)O)C1 91292786 LJFXVHQKHYFDCA-SNVBAGLBSA-N 345.193 1.586 0 40 EDAB Cc1ccc(Nc2nc(NN)nc(N3CCOCC3)n2)cc1Cl 3086533 FWVHWSBKIYQMQB-UHFFFAOYSA-N 335.799 1.699 0 40 EDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1cc(=O)[nH]c2nc3ccccc3n12 101346587 QCILBAVXXQIPLW-PHIMTYICSA-N 334.335 1.631 0 40 EDAB CCCC(=O)OC[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 4855104 QCOXYZFUHMUEIC-YTLQFRNZSA-N 330.377 1.726 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@H]3OC(C)(C)O[C@H]23)cc1 4973243 PCJMDKXWTOBFHV-BFHYXJOUSA-N 327.402 1.192 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)cc1 4996500 PMYKMOSLSQSYOI-CYBMUJFWSA-N 328.390 1.423 0 40 EDAB NC(=O)C1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 20901962 JCLNHCSONIRWNA-UHFFFAOYSA-N 329.400 1.080 0 40 EDAB CS(=O)(=O)N1CC[C@]2(CCC[C@H]2C(=O)NC2CC(F)(F)C2)C1 108529084 ZIIZKLGUBLRJKQ-WCQYABFASA-N 336.404 1.352 0 40 EDAB O=C1CCCN1CC[C@@H]1CN(C(=O)[C@@H]2CCCN2)c2ccccc21 81644888 WURWLSAOCPMTDM-ZBFHGGJFSA-N 327.428 1.881 0 40 EDAB Nc1nc(O)c2c(n1)NC[C@@H](CCNc1ccc(C(=O)O)cc1)N2 8582280 IKEUYFXXIDRTHZ-SNVBAGLBSA-N 330.348 1.171 0 40 EDAB in-vitro Cc1nc2ccc(C(=O)Nc3nc(CC(N)=O)cs3)cc2nc1C 32882519 MZNMNOVJUIITDS-UHFFFAOYSA-N 341.396 1.983 0 40 EDAB COc1ccccc1C1(CNS(=O)(=O)N(C)C)CCOCC1 41564984 CXHHMERKOCKOBA-UHFFFAOYSA-N 328.434 1.139 0 40 EDAB COc1ccccc1CNC(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 101969210 XWTUWGFDMHHHMI-OKILXGFUSA-N 329.404 1.805 0 40 EDAB CCCCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207835 RVDIWFGTAJGLTA-UHFFFAOYSA-N 348.852 1.885 0 40 EDAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccnc(-n2cncn2)c1 53807402 HSQXPPGIACETFN-HNNXBMFYSA-N 348.410 1.919 0 40 EDAB NC(=O)N1CCC(C(=O)NCc2ccnc(OC3CCCC3)c2)CC1 46853590 SIBMNIKOLJNAKD-UHFFFAOYSA-N 346.431 1.810 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@]3(CCSC3)C2=O)cc1 24096856 KRNPQSDNNAKWCO-LRDDRELGSA-N 336.413 1.162 0 40 EDAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCc1ccccn1 22251500 NEIAEPVOGYBAGI-UHFFFAOYSA-N 349.412 1.416 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 24776896 MOYPUWYPFBWVRP-UHFFFAOYSA-N 340.489 1.697 0 40 EDAB COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1N2C(N)=O 102936035 KNJVSCVZXDFUKO-MQYQWHSLSA-N 332.356 1.317 0 40 EDAB CCC[C@H]1NC(=O)N(CC(=O)N(C)Cc2ccccc2OC)C1=O 24925516 YDADDBMAUGSFIA-CYBMUJFWSA-N 333.388 1.374 0 40 EDAB COCc1ccccc1CNC(=O)C1CCN(S(C)(=O)=O)CC1 25306950 CLWYDJVMHAIZDF-UHFFFAOYSA-N 340.445 1.121 0 40 EDAB COC[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H]2c2ccc(C)o2)C1 107140052 LOXOSSDKMOTVQI-ZIAGYGMSSA-N 328.434 1.938 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)N2CCc3sccc3C2)CC1 26280319 VOGCWDLTXQESOD-UHFFFAOYSA-N 343.474 1.240 0 40 EDAB C[C@@H](NC(=O)N1CCNC(=O)CC1)c1ccccc1-n1cccn1 89909846 SOXWLDDCCNRKKI-CYBMUJFWSA-N 327.388 1.465 0 40 EDAB Cc1ccc(-n2cnnn2)cc1NC(=O)Cn1nnc2ccccc21 44600606 JQZNZXOESQQNLF-UHFFFAOYSA-N 334.343 1.354 0 40 EDAB O=C(NCCc1nnc(S)n1C1CC1)[C@H]1C[C@@H]1c1cccnc1 109059654 MRPLSZGVQXMNPX-OLZOCXBDSA-N 329.429 1.759 0 40 EDAB CC(C)CCC(=O)N1CCN(C(=O)c2cccc(NC(N)=O)c2)CC1 58281710 AAYMSBZBVBQYNA-UHFFFAOYSA-N 346.431 1.898 0 40 EDAB CC[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(N)=O 58290425 RIDZLXUIHJUYDQ-SMDDNHRTSA-N 347.440 1.932 0 40 EDAB O=C(Cn1cccn1)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 58289244 YYFFWXLPRXBUEM-INIZCTEOSA-N 348.834 1.726 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](C)Cn2nc(C)cc2C)C1 44971684 RFDXCXRHKRVIMK-WBMJQRKESA-N 335.452 1.446 0 40 EDAB O=C(O)C[C@H](NC(=O)Cn1ccccc1=O)c1ccccc1Cl 44915381 UPHBELGELGVVEW-ZDUSSCGKSA-N 334.759 1.834 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H](C)S(C)(=O)=O 44951171 CGKOAQVBKAWXOG-CYBMUJFWSA-N 335.429 1.538 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)N3CCOC[C@H]3C)cn2)CC1 44969132 QKVUVWVHPHBHAP-OAHLLOKOSA-N 347.463 1.154 0 40 EDAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCCc1nccn1C 58322888 XCPGHJOQVQZWAP-UHFFFAOYSA-N 342.403 1.077 0 40 EDAB Cc1ccccc1[C@@H](C)NC(=O)CCc1nc(-c2nc[nH]n2)no1 58330493 RBHJGMPLJLWEFF-LLVKDONJSA-N 326.360 1.973 0 40 EDAB O=C(COC(=O)Cc1cn2ccsc2n1)NCCc1ccccc1 12654976 GYPRTAKAPXDAHT-UHFFFAOYSA-N 343.408 1.840 0 40 EDAB CC(C)(CNC(=O)Nc1cccnc1-n1cccn1)N1CCOCC1 48196490 QBOIKZQPSZCNJC-UHFFFAOYSA-N 344.419 1.500 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CO3)c1 70016868 WSQHIWPYFPRFOL-AWEZNQCLSA-N 340.383 1.827 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)CN2C(=O)COc3ccccc32)cn1 69877648 VUQULKLZXJUNGE-AWEZNQCLSA-N 340.383 1.509 0 40 EDAB CCOCCCNc1nnc(Sc2ccc3nnnn3n2)s1 12804411 XZNCLDUWIADUND-UHFFFAOYSA-N 338.422 1.361 0 40 EDAB CC(C)[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)NC(N)=O 3435204 YIKWDEDBUNSBOG-RXMQYKEDSA-N 325.316 1.146 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2)CC1 69873252 VZJJXQYGWAWQAU-LBPRGKRZSA-N 346.349 1.766 0 40 EDAB Cc1cn2nc(N3CCN([C@@H](C)c4nc(C)no4)CC3)sc2n1 69385569 GWQZPXNFWIJBKD-JTQLQIEISA-N 333.421 1.674 0 40 EDAB CCCCc1ccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 13539953 WFPOQDFOODHSSS-UHFFFAOYSA-N 339.399 1.918 0 40 EDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2ccnc(Cl)c2)c1C 13693204 QZLISHIPZMRILE-UHFFFAOYSA-N 335.795 1.823 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H]1Cn1cncn1 69534827 LYJWRUOSISYJDI-ZIAGYGMSSA-N 331.424 1.547 0 40 EDAB CCc1cccc2c(C(=O)COC(=O)C3=NNC(=O)CC3)c[nH]c12 4334275 PHINHASVUSJRDO-UHFFFAOYSA-N 327.340 1.722 0 40 EDAB COc1cccc([C@H](NC(=O)N2CCOC[C@@H]2C)c2nccn2C)c1 65390768 IKHJUQOQCYFNSW-BBRMVZONSA-N 344.415 1.948 0 40 EDAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc(-n2cccn2)cc1 14018090 LVMXBEWYQVLARX-UHFFFAOYSA-N 338.367 1.854 0 40 EDAB COc1ccc(NC(=O)C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)c(C)c1 65593109 YVSXBSRRKIVFEY-KBPBESRZSA-N 349.431 1.168 0 40 EDAB CCOCCCNC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 65540825 BLKJNUJVKFYUGP-UHFFFAOYSA-N 347.459 1.818 0 40 EDAB COCCNC(=O)Cn1cc(C=O)c2cc(Br)ccc21 4535169 NJQNQIDJHNQSBK-UHFFFAOYSA-N 339.189 1.979 0 40 EDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@H]1CCOC1 65612560 INCVLPCKHBLGHM-GFCCVEGCSA-N 330.388 1.491 0 40 EDAB COC(=O)C1=C(C)NC(=O)[C@@]1(NC(=O)c1cccs1)C(F)(F)F 4689999 DYUUUYUEAHRUIL-GFCCVEGCSA-N 348.302 1.356 0 40 EDAB CC(=O)NC(=S)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 5560359 PJRWLZFVMBRUAO-UHFFFAOYSA-N 341.458 1.694 0 40 EDAB COc1ccccc1N1CCN(C(=O)CCC(=O)N2CCCC2)CC1 6954964 FHVYGFOQYVNVQI-UHFFFAOYSA-N 345.443 1.746 0 40 EDAB CCCCS(=O)(=O)NCC(=O)N1C[C@@H](C)Oc2cc(F)ccc21 90054929 PZXCPIVGZHJMGP-LLVKDONJSA-N 344.408 1.659 0 40 EDAB CNS(=O)(=O)c1ccccc1N1CCN(Cc2cccn2C)CC1 93049193 WPMAFQAOWXLQCO-UHFFFAOYSA-N 348.472 1.255 0 40 EDAB Cc1cn2c(CN3CCN(c4cnn(C)c4)C(=O)C3)c(C)nc2s1 93530591 BJDONSRLCLQJSX-UHFFFAOYSA-N 344.444 1.595 0 40 EDAB COc1ccccc1/C=c1\s/c(=C/C(=O)C(C)(C)C)n(C)c1=O 96759228 WXDXLQGVDFVGCB-DGIOSINNSA-N 331.437 1.680 0 40 EDAB COc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)n(C)c2=O)ccc1O 96759198 CNQZJCXCCYQXKE-IEPNIYFGSA-N 347.436 1.386 0 40 EDAB Cc1cc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)ccc1F 96412463 HKLMNSKCZMXVFR-UHFFFAOYSA-N 334.372 1.984 0 40 EDAB O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc(Cn2ccccc2=O)o1 75849663 XAJWWHZMEJMICT-AWEZNQCLSA-N 341.411 1.704 0 40 EDAB COc1ccnc(N2CCN(C(=O)NCc3ccoc3C)CC2)n1 71803931 MDWFTXWCTVISAD-UHFFFAOYSA-N 331.376 1.418 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC)C2 71864867 RQCIHLKZABRUDZ-UONOGXRCSA-N 326.400 1.995 0 40 EDAB CN1CCC(CNC(=O)NC2CCN(Cc3ccccn3)CC2)CC1 71857236 APQLUCPLPVWTFU-UHFFFAOYSA-N 345.491 1.687 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2ccc(N(C)C)nn2)c1 71871997 YDZLSJXCQQFSHM-AWEZNQCLSA-N 328.420 1.742 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 71869719 FDMRSNYGYODBOC-NVXWUHKLSA-N 344.459 1.974 0 40 EDAB CCN1C[C@H](CN(C)C(=O)c2ccc(O)nn2)Oc2ccccc21 71896587 DLTYZAFEWLKMFR-LBPRGKRZSA-N 328.372 1.542 0 40 EDAB COC(=O)[C@@H](c1ccccc1)N(C)C(=O)CSc1nccn1C 76017972 TULCOVMWRNQCBM-CQSZACIVSA-N 333.413 1.885 0 40 EDAB C[C@@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)C[C@H]1N1CCOCC1 76051753 DKOBXUNZWGVYEY-GDBMZVCRSA-N 346.427 1.527 0 40 EDAB CC(C)OCCCNC(=O)COCC(=O)Nc1ccc(F)cc1 9851441 HGUKGVIOPSLDGO-UHFFFAOYSA-N 326.368 1.712 0 40 EDAB COc1c([C@H]2CCCN2C(=O)[C@H](C)N2CCCCC2=O)c(C)nn1C 72234462 MDGSMTOJMFOOQR-UONOGXRCSA-N 348.447 1.802 0 40 EDAB CCO[C@H]1C[C@@H](N(C)c2ncnc3c2cnn3CC(=O)OC)C1(C)C 72293814 NNUYTHYRBIAFGL-OLZOCXBDSA-N 347.419 1.639 0 40 EDAB O=C(CNC(=O)c1cccs1)Nc1cc(-c2ccncc2)n[nH]1 72256027 FDAWXDGTHBFMIQ-UHFFFAOYSA-N 327.369 1.902 0 40 EDAB COC(=O)c1ccc(CN[C@H]2CCCN(c3cnn(C)c3)C2)cc1 97034946 YTVGNTDGPZDAMX-INIZCTEOSA-N 328.416 1.965 0 40 EDAB COc1ccc(C(=O)NC[C@@H]2Cc3ccccc32)cc1-n1cnnn1 97081709 CTKNVAQEZHYBOR-AWEZNQCLSA-N 335.367 1.741 0 40 EDAB NC1(C(=O)N2CCN(C(=O)c3ccoc3)CC2)Cc2ccccc2C1 97019782 VFUFISMQFZXYLT-UHFFFAOYSA-N 339.395 1.060 0 40 EDAB Cc1cc(NC(=O)CN2CCN(CCc3ccccc3F)CC2)no1 97095486 ITNZDQNCGIRGNB-UHFFFAOYSA-N 346.406 1.921 0 40 EDAB COCCNC(=O)[C@@H]1CSCN1C(=O)Nc1ccc(F)cc1 97124716 QQZQOMXKSCUADP-LBPRGKRZSA-N 327.381 1.495 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC(=O)OC(C)C)[nH]n1 97357246 MICWKSBVDKACET-UHFFFAOYSA-N 333.392 1.499 0 40 EDAB COCCN(C)CCCNC(=O)c1cc(=O)[nH]c2ccc(F)cc12 95399337 PBEKCLFQFVLSGX-UHFFFAOYSA-N 335.379 1.365 0 40 EDAB O=C(NC1CCS(=O)(=O)CC1)c1cc(-c2ccc(F)cc2)on1 95416604 LWWVJEHVJUCNJU-UHFFFAOYSA-N 338.360 1.788 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H](O)CN2CCN(C)CC2)cc1 95411166 MFUKHGURXSAMTD-SJLPKXTDSA-N 348.491 1.306 0 40 EDAB Cn1cnnc1-c1cncc(NS(=O)(=O)Cc2ccccc2)c1 95447348 KKNVDGOYQJADEJ-UHFFFAOYSA-N 329.385 1.819 0 40 EDAB Cc1ncccc1C(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 78997094 HSKWGMUEFKZSBV-INIZCTEOSA-N 344.459 1.549 0 40 EDAB CN(Cc1cccc(C(N)=O)c1)[C@@H]1CCCN(c2cnn(C)c2)C1=O 98013260 QXIIJMJOZFVQKO-MRXNPFEDSA-N 341.415 1.146 0 40 EDAB CCn1cc(NC(=O)CCCc2nnc3ccc(OC)nn23)c(C)n1 79475982 DBQFEOVYTCSYRY-UHFFFAOYSA-N 343.391 1.619 0 40 EDAB CN(CC(=O)N1CC[C@H]2[C@@H](CCCN2C)C1)C(=O)c1cccs1 89375368 MFVGPWFCKRXIBA-KBPBESRZSA-N 335.473 1.763 0 40 EDAB COC1(CNC(=O)N2CCS(=O)(=O)CC[C@@H]2C)CCCCCC1 1548451870 OIKGPQXQEZDPAN-AWEZNQCLSA-N 346.493 1.944 0 40 EDAB CC(C)N1CCO[C@@]2(CN(C(=O)N(C)C)C[C@@H]2c2cccnc2)C1=O 306130531 JIYVGBVWLBWNQF-CRAIPNDOSA-N 346.431 1.168 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)N1CCCC1)Cc1ccc(Cl)cc1 547875857 GRRXTNLHGJCAPU-GFCCVEGCSA-N 346.836 1.514 0 40 EDAB COC[C@H](C)NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 408626833 XRMMTZGCTUYPOQ-QWRGUYRKSA-N 348.852 1.646 0 40 EDAB Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2nc[nH]c2C(C)(C)C)n[nH]1 1551462736 WKCLZGQBSZXMGM-VXGBXAGGSA-N 346.435 1.778 0 40 EDAB CCCN(Cc1ccc(C(=O)O)cc1F)[C@@H]1CCS(=O)(=O)C1 514608070 HVVABFBWAVTZQN-CYBMUJFWSA-N 329.393 1.923 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)cn1)c1cnc(C2CC2)nc1 515204649 MALQVBFCXWVDDD-UHFFFAOYSA-N 325.372 1.838 0 40 EDAB CC(C)(CO)N(C(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 217373771 DTOIISOVJQOMGI-ZDUSSCGKSA-N 345.848 1.740 0 40 EDAB CCN(CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1C 36397817 OUTWONSIQUMTRF-HNNXBMFYSA-N 329.444 1.948 0 40 EDAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccc(-n2cnnn2)cc1 35289099 SRKGEUCXGSSCQC-UHFFFAOYSA-N 341.396 1.952 0 40 EDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(Cl)o1 31937587 KNJKLVZXAMEVIW-AWEZNQCLSA-N 330.837 1.871 0 40 EDAB CN1C[C@@H](NC(=O)c2cn(C)nc2-c2ccccc2Cl)CC1=O 78718560 BCSLWECUGAMOQM-JTQLQIEISA-N 332.791 1.701 0 40 EDAB CC1(C)Cc2cc(CNC(=O)c3cn4c(n3)CNCC4)ccc2O1 72144833 HRDGCRLWVZIBEJ-UHFFFAOYSA-N 326.400 1.630 0 40 EDAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2cccc(Cl)c2)n1 211098422 AFMPWAOMWKVTKO-UHFFFAOYSA-N 340.836 1.983 0 40 EDAB CCN(CC)CCCNC(=O)c1cc(C)nc(N2CCOCC2)n1 71195522 GHNXBHJQNWCUHB-UHFFFAOYSA-N 335.452 1.083 0 40 EDAB COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 70655706 QDFGOEWXAMHCGF-ZDUSSCGKSA-N 334.294 1.158 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@]2(N)C(=O)O)cc1 218643321 YPVCWLHYZRDBNT-ZOBUZTSGSA-N 349.383 1.856 0 40 EDAB CCCOC[C@@H]1C[C@@]2(C[C@](C)(c3csc(N)n3)OC2=O)C(=O)O1 13002856 UVBVHSSYOFXGJL-TZTCFGBESA-N 340.401 1.616 0 40 EDAB biogenic COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CO)cc1 218111103 GTYISAMDORGFHF-FGTMMUONSA-N 347.436 1.633 0 40 EDAB CC(C)(CNC(=O)COCc1ccccc1)N1CCS(=O)CC1 74135648 BQGJIINUEMQNKX-UHFFFAOYSA-N 338.473 1.162 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@@H](c1ccsc1)c1ccco1 675007834 TWSNYYLCGLMYGH-LBPRGKRZSA-N 332.381 1.738 0 40 EDAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC[C@H]2CCOC2)C1=O 562820074 OBJXESKZJLIHSH-KPZWWZAWSA-N 346.383 1.651 0 40 EDAB CC(=O)c1ccc(NC(=O)C[C@H]2Cn3nc(C)nc3NC2=O)cc1 40386795 QSDZSHJLQYLASN-LBPRGKRZSA-N 327.344 1.386 0 40 EDAB COc1cc2c(cc1OC)CN(c1ncnc3c1NC(=O)CN3)CC2 41121398 OMOICTALNYGMKR-UHFFFAOYSA-N 341.371 1.421 0 40 EDAB COCCS(=O)(=O)Nc1ccc2c(c1)c(OC(C)C)nn2C 227166906 CIGZIWRYANHNRD-UHFFFAOYSA-N 327.406 1.749 0 40 EDAB CSc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1NC(C)=O 224983825 DLVGFGGICKXXHX-LLVKDONJSA-N 344.458 1.824 0 40 EDAB Cc1ccc(-n2nnc(C(=O)Nc3ccc(-n4cnnn4)cc3)n2)cc1 75163381 QBHUVMPEYBNBNG-UHFFFAOYSA-N 347.342 1.199 0 40 EDAB CN(C)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 224325898 NGQVUHITAKGZBJ-UHFFFAOYSA-N 346.821 1.694 0 40 EDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cnccc1O)c1ccccc1 49546456 WPRRISRTIYBOQX-AWEZNQCLSA-N 328.372 1.145 0 40 EDAB Cc1ccc2c(n1)N(CCn1cccn1)CCN(C(=O)NC1CC1)C2 96199116 WDACAPJCNCYMBY-UHFFFAOYSA-N 340.431 1.781 0 40 EDAB C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ncc2c(F)cccn12 529366910 QFWOHEYBNGOFOR-OLZOCXBDSA-N 332.379 1.409 0 40 EDAB Cc1cc(CN2CC[C@H]3C(=O)N(c4cccnc4)CCO[C@H]3C2)no1 96110838 BCKYEMUJSVIONA-SJORKVTESA-N 342.399 1.632 0 40 EDAB CC(C)N1CCc2ncn(C(C)C)c2[C@H]1C(=O)NCCN1CCCC1 96264998 UTQQVJMXZSJBAL-SFHVURJKSA-N 347.507 1.984 0 40 EDAB O=C(CN1CCN(CC(F)(F)F)c2ccccc21)N1CCOCC1 96445765 KUDPNTNIONXUPB-UHFFFAOYSA-N 343.349 1.734 0 40 EDAB CN(C)CCN1CC2(CCN(Cc3ccc(F)cc3)CC2)OCC1=O 96201354 RODLDTAVDALSGU-UHFFFAOYSA-N 349.450 1.581 0 40 EDAB Cn1cc(CN2CC[C@H]3[C@@H](CC2)OCCN3c2cccnc2)cn1 96249436 OVWWKDRAUJBMEU-ZWKOTPCHSA-N 327.432 1.685 0 40 EDAB OCc1ccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)o1 96489623 IMAICTJNJOOMAC-UHFFFAOYSA-N 342.321 1.903 0 40 EDAB c1cncc(N2CCOC[C@@]3(CN(Cc4ccco4)CCO3)C2)c1 96049850 KKBJRIMOPHHOQP-GOSISDBHSA-N 329.400 1.782 0 40 EDAB O=C(c1c[nH]cn1)N1CCC[C@]2(COCCN(c3nccs3)C2)C1 96076799 UBGIQQRSTAWQCR-INIZCTEOSA-N 347.444 1.625 0 40 EDAB NS(=O)(=O)NC[C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1 96473875 RXYCATOEPQUAIA-SSDOTTSWSA-N 344.384 1.171 0 40 EDAB C[C@H](CNS(=O)(=O)c1cccc2cnccc12)N1CCN(C)CC1 96421245 PHFKFZHMTRSDRM-CQSZACIVSA-N 348.472 1.149 0 40 EDAB CCn1nccc1/C=C/C(=O)N[C@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C 95435341 DJFCRFFWDDSKIX-AMGAKCQWSA-N 346.475 1.922 0 40 EDAB Cc1sc2ncc(C(=O)N[C@@H]3CCC[C@@]3(C)CO)c(=O)n2c1C 96492954 WYZSDOFHOWUKQU-WBMJQRKESA-N 335.429 1.654 0 40 EDAB CS(=O)(=O)NC[C@@H]1CN(CC2CCCC2)Cc2ccnn2C1 247562566 ZFBOKLMRMOHUGA-CQSZACIVSA-N 326.466 1.054 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](NCCCO)[C@@H]([C@H]2CCOC2)C1 585085427 NEBQZMIYVALYSM-ZNMIVQPWSA-N 328.453 1.621 0 40 EDAB Cc1cc(S(=O)(=O)N2CC[C@H]2C(=O)O)cc(C(=O)O)c1Cl 585122105 NWCIXPQQWUBQDA-VIFPVBQESA-N 333.749 1.194 0 40 EDAB C[C@H](C(=O)NCc1nccs1)[C@H](O)CN(C)C(=O)OC(C)(C)C 585121479 QKOCUAWGOOJJAQ-WDEREUQCSA-N 343.449 1.623 0 40 EDAB CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ccn1 257202365 ALLMSCSAYIGUPH-HNNXBMFYSA-N 326.400 1.824 0 40 EDAB Cc1noc(C)c1C(=O)N(C)C[C@]1(O)CCCN(c2ncccn2)C1 257213399 CHKNVRPTTSHQDF-QGZVFWFLSA-N 345.403 1.185 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)NCCOC)[C@@H]1c1ccc(OC)cc1 257291346 QGOWJSCQOYNJFT-WBVHZDCISA-N 334.416 1.757 0 40 EDAB O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)[C@H]1C[C@H]2CC[C@H]1O2 252581605 CFFWICGLEKGASO-ZJPYXAASSA-N 342.439 1.761 0 40 EDAB CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)n[nH]1 257224217 FAUMNZMRLKCPTJ-GFCCVEGCSA-N 330.363 1.880 0 40 EDAB Cc1noc(C)c1CN1CC2(C[C@H](Oc3cnccn3)CCO2)C1 252013425 ULGAJKRGASTHMJ-CQSZACIVSA-N 330.388 1.894 0 40 EDAB O=C(CCN1CCc2ccccc21)N1C[C@@H](O)[C@H](N2CCCC2)C1 257311167 UIGCHHCLVNRHEF-QZTJIDSGSA-N 329.444 1.107 0 40 EDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(C(=O)c2cnccn2)C3)n1 253478071 JAEPQSYUVFGUMK-CYBMUJFWSA-N 341.371 1.028 0 40 EDAB C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cn2cc(C(=O)O)nn2)C1 263329948 LTIDFUHYQSHPEL-QMTHXVAHSA-N 332.335 1.725 0 40 EDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)C2 606445208 RZFLYCLUDRMUIY-FXUDXRNXSA-N 329.444 1.760 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H](C(=O)O)C(F)(F)C1 289698496 MEALLWWQDHWPRD-VIFPVBQESA-N 337.319 1.865 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)O)CCC[C@H]2C)cc1C(=O)O 1615586992 AAVGGXAKIVCVIJ-BMIGLBTASA-N 341.385 1.615 0 40 EDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nn1 731433855 WOBINSQLAISFNX-CQSZACIVSA-N 327.344 1.458 0 40 EDAB O=C(NC1CCC1)[C@@H]1C[C@]12CCN(C(=O)Cc1ccc(F)cn1)C2 585101520 LIVTUTYNAJTKOD-YJBOKZPZSA-N 331.391 1.671 0 40 EDAB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)c1cnccn1)CC2 585096368 KHHYYVJZSOYFKE-LLVKDONJSA-N 328.376 1.028 0 40 EDAB Cc1nc(C)c(C)c(N2CCN(C[C@H]3CCCS3(=O)=O)CC2)n1 585132788 VZXVYDSDYFYLJO-OAHLLOKOSA-N 338.477 1.101 0 40 EDAB Cc1ccc(OC[C@]2(O)CCN(CC(=O)Nc3ccccn3)C2)cc1 585276591 NOZMIQYZZBONND-IBGZPJMESA-N 341.411 1.844 0 40 EDAB CCOC(=O)NCCNC(=O)Nc1ccc2c(c1)CCCN2C(C)=O 75133474 GQTFVOLNRLSLFJ-UHFFFAOYSA-N 348.403 1.853 0 40 EDAB Cn1nc(C2CC2)cc1C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1615037895 YCWZXUFUXSIUDM-HNNXBMFYSA-N 345.424 1.697 0 40 EDAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)NC)nnc12 5437043 IHFWIYYJXOOCRD-UHFFFAOYSA-N 345.428 1.682 0 40 EDAB CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(C)CC1 19501925 KPZMVPPTNFEQBV-KRWDZBQOSA-N 344.463 1.819 0 40 EDAB CN1C[C@@H](C(=O)N2CCC[C@H](c3cc4cccnc4[nH]3)C2)CC1=O 19587249 UXSMKQFVPFVTSS-KBPBESRZSA-N 326.400 1.747 0 40 EDAB CCCN(C(=O)c1ccc2ncccc2c1)[C@@H]1COC[C@@H](O)[C@H]1O 643913112 YNVVDXFIEOMZRT-ZACQAIPSSA-N 330.384 1.208 0 40 EDAB Cc1cccnc1CN1CCC[C@@]1(C(=O)N(C)C)c1cnccn1 1848352050 WIVDPHFESZNPMU-SFHVURJKSA-N 325.416 1.760 0 40 EDAB CCNC(=O)C1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 27413241 KXDCOUGGBWKKIT-UHFFFAOYSA-N 348.834 1.696 0 40 EDAB O=C1NCCC[C@@H]1N1CCC(Cn2cnc3ccccc3c2=O)CC1 1776008125 ZZHCWGYAYCKSII-KRWDZBQOSA-N 340.427 1.387 0 40 EDAB O=C(c1csnn1)N1CCC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565551787 RZYZTKBUBJUXRO-IAQYHMDHSA-N 346.416 1.204 0 40 EDAB CC(C)CN1C(=O)N[C@](NC(=O)c2cccs2)(C(F)(F)F)C1=O 2492030 LKNPXWGRIQWFQI-LBPRGKRZSA-N 349.334 1.944 0 40 EDAB O=C(NCCc1ccccc1)C(=O)NC[C@@H]1COC2(CCCCC2)O1 5351471 SAKXRPBWAPMWSX-MRXNPFEDSA-N 346.427 1.537 0 40 EDAB O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)C(=O)NCCO2 9172123 JQWRUGQUJHTXBS-UHFFFAOYSA-N 330.315 1.965 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCc1nnnn1-c1cccc(F)c1 10593518 UYIWFULYUNWHJI-LBPRGKRZSA-N 341.346 1.885 0 40 EDAB Cc1nc([C@H]2C[C@H]3CCN(C(=O)c4ncc(Cl)cn4)C[C@H]3O2)n[nH]1 2055772377 DHFNHTYYLKEZAI-YUSALJHKSA-N 348.794 1.549 0 40 EDAB Cc1cc2c(cc1NC(=O)Cc1cccnc1)N(C)S(=O)(=O)N2C 575610927 CLZMJJLZGYBHEO-UHFFFAOYSA-N 346.412 1.702 0 40 EDAB CSc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H](C)O)C3)cc1 12347140 WKPQIUYPSGJBME-OTYXRUKQSA-N 333.413 1.240 0 40 EDAB C[C@@H](NC(=O)c1ccc(N(C)C)nc1)c1ccc2c(c1)NC(=O)CO2 33120476 WPZNWEMJRXEOBP-LLVKDONJSA-N 340.383 1.970 0 40 EDAB C[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)OCCO2 40105662 MEVIGWUWDNBNHI-CYBMUJFWSA-N 340.445 1.611 0 40 EDAB COc1cc2c(cc1CNCCCN(C)S(C)(=O)=O)O[C@H](C)C2 30914182 RCQRHIRYYSSBGB-GFCCVEGCSA-N 342.461 1.390 0 40 EDAB CC(C)(C)NC(=O)c1ccc(NC(=O)CCNS(C)(=O)=O)cc1 40498800 RNELDFBMEYLUOR-UHFFFAOYSA-N 341.433 1.093 0 40 EDAB CN(C)c1nc(N)nc(CN2CCN(c3ccccc3Cl)CC2)n1 40477270 SNHPLXBZEDAUKJ-UHFFFAOYSA-N 347.854 1.495 0 40 EDAB O=C(CNS(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 37630 IKGUNVSVNAIALG-UHFFFAOYSA-N 330.409 1.550 0 40 EDAB O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cn[nH]n1 71907682 FQSZQLZMJAEAIE-GFCCVEGCSA-N 339.321 1.828 0 40 EDAB COC(=O)c1nnn(CC(=O)Nc2ccc(C)c(C)c2)c1C(=O)OC 428821 ZIJXWLSSKFEFMK-UHFFFAOYSA-N 346.343 1.107 0 40 EDAB CON(C)C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 36739322 OVYXYPHRVRBQSF-UHFFFAOYSA-N 326.418 1.254 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1CCc1nc2sccc2c(=O)[nH]1 40555651 RLEAZKAOCRRORX-UHFFFAOYSA-N 346.412 1.782 0 40 EDAB Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 29204539 QJIFZYTVAZNEFJ-CYBMUJFWSA-N 349.456 1.559 0 40 EDAB Cn1c(=O)n(C)c2cc(NC(=O)c3ncoc3[C@H]3CCCO3)ccc21 71908514 GQNUUTKOYFZQTC-CYBMUJFWSA-N 342.355 1.969 0 40 EDAB O=C(CN(Cc1ccccc1)C1CC1)N1CCN(C(=O)C2CC2)CC1 51403234 WUJDNZJAJVPDPM-UHFFFAOYSA-N 341.455 1.732 0 40 EDAB O=C(C1CCC(O)CC1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 6117232 OKTGUGBZQBTMHZ-DQPZFDDXSA-N 328.412 1.506 0 40 EDAB in-vitro O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc[n+]([O-])c1 11751716 KSUJCIVCYWMWAN-UHFFFAOYSA-N 329.337 1.953 0 40 EDAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)N1CCCC1 7347353 VENKDVVXOJGFNU-UHFFFAOYSA-N 332.429 1.529 0 40 EDAB C[C@@H](C(N)=O)S(=O)(=O)Cc1csc(-c2ccc(F)cc2)n1 46110739 DGYQKYXSHNKPGN-QMMMGPOBSA-N 328.390 1.738 0 40 EDAB Cn1c(=O)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c1=O 20759434 GYWLMQZJRJLJCH-ZDUSSCGKSA-N 346.774 1.149 0 40 EDAB biogenic CCC(=O)c1ccc(OCC(=O)OCC(=O)NC[C@H]2CCCO2)cc1 8156245 GNUKDGRWNOYWFU-OAHLLOKOSA-N 349.383 1.497 0 40 EDAB CN(C)S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 327661 SWRCJLVANWFUEG-UHFFFAOYSA-N 330.365 1.738 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1[C@@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 100128040 JNJHGBCNQQJILI-ARFHVFGLSA-N 346.475 1.636 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 32675862 LRQLDCUOQPTMDW-UHFFFAOYSA-N 326.356 1.662 0 40 EDAB O=C1CCCN1C[C@@H](NC[C@H]1CNc2ccnn2C1)c1ccccc1 69490354 AQNQYPCTTBNBCE-DOTOQJQBSA-N 339.443 1.878 0 40 EDAB Cc1cc(NC(=O)C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)no1 71920336 QWHYJAYJZPKDNW-GFCCVEGCSA-N 344.371 1.785 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@@H](n2cccn2)C1 69485178 BCZRTTSWWQCZMO-LLVKDONJSA-N 327.310 1.962 0 40 EDAB c1ccc(-n2nnnc2N2CCN(CCc3ccncc3)CC2)cc1 46517568 IEHWCVMVQQITEJ-UHFFFAOYSA-N 335.415 1.422 0 40 EDAB COCC[C@H](NC(=O)CCc1cccc(Br)c1)C(=O)O 52784260 HHNTUVVWEGFTJN-LBPRGKRZSA-N 344.205 1.988 0 40 EDAB CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@@H]12 107805938 NCCZXILZLMKZQH-SJLPKXTDSA-N 348.468 1.601 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)CCc3ccco3)CC2)n1 69630487 RVCJAQMPFKBCFO-UHFFFAOYSA-N 330.388 1.668 0 40 EDAB CCOC(=O)C1=C(CSc2ccccc2C(=O)O)CC(=O)NC1 27516676 QEWXXNIAWRNMSD-UHFFFAOYSA-N 335.381 1.857 0 40 EDAB O=C(c1ccco1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108525907 KTPFNGAMNKBCMA-HOTGVXAUSA-N 327.384 1.790 0 40 EDAB O=C(CCC(=O)N1CCOCC1)N[C@H]1CCN(Cc2ccccc2)C1 52916510 VSUYLUWEXFLAQF-KRWDZBQOSA-N 345.443 1.016 0 40 EDAB CC[C@@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1cccc(C)c1C 41605920 IKCFTHMCKQBUNA-LLVKDONJSA-N 334.401 1.997 0 40 EDAB O=C(C[C@H](NCCN1CCOCC1)C(=O)O)c1ccc(Cl)cc1 20432503 IBHWBDSFPBGCSI-AWEZNQCLSA-N 340.807 1.288 0 40 EDAB Cc1nc(CN2CCN(C[C@@H](O)COCc3ccco3)CC2)oc1C 69655070 ICYBYEMRCHZMNB-MRXNPFEDSA-N 349.431 1.580 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCC(C)(C)N(C)C)no1 42158859 UIKSQWOOECMLSA-LLVKDONJSA-N 342.465 1.500 0 40 EDAB CC(=O)Nc1ccccc1OCC(=O)Nc1sccc1C(N)=O 8537730 ZGSASVMVYGXHDQ-UHFFFAOYSA-N 333.369 1.823 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3C)CC2)cc1 23041100 XTLSMZTYHKGTNQ-GDBMZVCRSA-N 336.457 1.874 0 40 EDAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(OCC(N)=O)cc2)c1 69739815 HNLUGCOSOMPTNJ-CQSZACIVSA-N 342.395 1.943 0 40 EDAB C[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)[C@H](O)c1ccc(F)cc1 69778138 YWNFJRBRYQAKHJ-BONVTDFDSA-N 341.342 1.914 0 40 EDAB COC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1c(C)nn(C)c1Cl 42648465 ZQMOQTPITHCFJD-GUOLPTJISA-N 325.796 1.949 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(C[C@H]2CCCO2)CC1 23640935 FPUWRVCVGSMLSO-MRXNPFEDSA-N 346.427 1.324 0 40 EDAB C/C=C/C=C/C(=O)O[C@@H]1CC/C=C/[C@H](O)[C@H](O)[C@H](CCC)OC1=O 105152929 TXPRZPDVUZCNLB-HYKMWXSOSA-N 338.400 1.814 0 40 EDAB biogenic,in-vitro COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2cccc(F)c2)C1 57319535 SHANIPLOYGNPFF-DZGCQCFKSA-N 336.407 1.758 0 40 EDAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)cc1 100377283 MMBBBGAUCFGRIE-KJWYOANISA-N 327.336 1.085 0 40 EDAB CN(CCOc1ccccc1F)C(=O)COc1cccc(C(N)=O)c1 55379126 OVIOQOZYZNHQRQ-UHFFFAOYSA-N 346.358 1.841 0 40 EDAB CCOC(=O)c1ccc(NC(=O)c2cc(=O)n(C)/c(=N/C)s2)cc1 1441786 UYBBOIASASIHDK-MSUUIHNZSA-N 347.396 1.406 0 40 EDAB Cc1cc(N2CCOCC2)ccc1NC(=O)Cn1cccnc1=O 25274763 PCHNSTQLJXGGMY-UHFFFAOYSA-N 328.372 1.027 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)C[C@@H](C)O1 3296597 OEQFUZRYEZVPSD-DTORHVGOSA-N 333.793 1.836 0 40 EDAB CN(C)C(=O)COc1ccccc1CNCc1cccnc1N(C)C 58171323 JLYKYEOYBKTPCF-UHFFFAOYSA-N 342.443 1.904 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2cscn2)s1 58203058 RLUCXNZMKLUKGY-UHFFFAOYSA-N 345.471 1.661 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 58228706 CREYUSJKPJXXKU-AWEZNQCLSA-N 330.363 1.752 0 40 EDAB COc1cccc(NC(=O)NCCn2nc3ccccn3c2=O)c1 58201020 AOOPIZDRYLKABF-UHFFFAOYSA-N 327.344 1.326 0 40 EDAB CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 58265876 AIIDHSYHROJILC-AWEZNQCLSA-N 348.428 1.162 0 40 EDAB CCS(=O)(=O)N1CCCN(C(=O)Cc2ccccc2OC)CC1 58208583 DRWRRJWZLFRATC-UHFFFAOYSA-N 340.445 1.122 0 40 EDAB C[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1cccnc1 48068057 PPDJTDZDDXDCSZ-CYBMUJFWSA-N 326.404 1.901 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)C[C@@H](C)O1 44968606 LLFFVSATOAUZEL-TXEJJXNPSA-N 330.392 1.740 0 40 EDAB CCOc1ncccc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 44911314 HMZWQUNFMFBFFK-HNNXBMFYSA-N 333.432 1.807 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 44952166 QVTKXFIWBRBHFG-GFCCVEGCSA-N 343.387 1.364 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 58306208 YPMVPEWWCBHNGA-AWEZNQCLSA-N 340.445 1.578 0 40 EDAB COc1ccccc1OCCC(=O)NC[C@H]1CCS(=O)(=O)C1 45075574 VPYHVQTZOHPCSI-GFCCVEGCSA-N 327.402 1.015 0 40 EDAB CC(C)(C)c1ccc(OCc2nnc(SCC(N)=O)n2N)cc1 3395890 SZMWUAAJZGGOJU-UHFFFAOYSA-N 335.433 1.446 0 40 EDAB CN1C(=O)COc2ccc(C(=O)Cn3cnc4ccccc4c3=O)cc21 36357683 QXAKLHGFLRITKZ-UHFFFAOYSA-N 349.346 1.635 0 40 EDAB CC(C)(C)c1nnc(NC(=O)Cn2nnc3ccccc3c2=O)s1 36359837 HPTBDGUGQLNCDI-UHFFFAOYSA-N 344.400 1.579 0 40 EDAB CCOC(=O)/C=C/c1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1 10886829 STMWZRIQYIZWTM-RMKNXTFCSA-N 345.355 1.095 0 40 EDAB COC(=O)C[C@H](NC(=O)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(=O)OC 36558980 LMYZZFMHOYGRJD-SYQHCUMBSA-N 327.421 1.916 0 40 EDAB biogenic,in-vitro COc1ccc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)ccc2c1 12776280 YYRBWPBVEARYBM-UHFFFAOYSA-N 348.424 1.566 0 40 EDAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1nc2nccc(C)n2n1 12804166 OIYXSJAOTKJVAJ-LBPRGKRZSA-N 339.355 1.925 0 40 EDAB CCONC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 13011987 CIYGHTYYDUGSJG-UHFFFAOYSA-N 339.442 1.774 0 40 EDAB CON(C)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 13005567 GPLUCOLIFYELSK-UHFFFAOYSA-N 341.161 1.455 0 40 EDAB C[C@H](C(=O)NC1CCCC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69844960 UVHGYXIAJBHCOE-VQIMIIECSA-N 345.487 1.785 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cn(C)c3ccccc23)CC1 69977919 JRQQISJPLZCNGD-HNNXBMFYSA-N 345.443 1.334 0 40 EDAB C[C@H](NS(C)(=O)=O)C(=O)N1CCc2cc(Br)ccc21 49342609 BDOSZBZUDQVDGC-QMMMGPOBSA-N 347.234 1.276 0 40 EDAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NCC(=O)O 4039797 BVWZHAGAAZSCLU-SNVBAGLBSA-N 345.351 1.640 0 40 EDAB biogenic CN(Cc1ccc(/C=C/C(=O)NCc2ccccn2)o1)S(C)(=O)=O 20449853 NIDFWTCPMDPREZ-CMDGGOBGSA-N 349.412 1.396 0 40 EDAB CCNC(=O)CN1CCCN(C(=O)CCc2ccccc2F)CC1 63770695 FMTGPONORCPSQZ-UHFFFAOYSA-N 335.423 1.429 0 40 EDAB COc1ccc(N(C(=O)C2CC2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 4165531 NYKIKUQLSUUDAD-LBPRGKRZSA-N 337.397 1.758 0 40 EDAB NC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)c1 8767087 ACRUPFLHCGZQCX-OAHLLOKOSA-N 336.355 1.195 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C 65562781 ULPDZVKXPUDVRI-NWDGAFQWSA-N 343.493 1.355 0 40 EDAB CCOC(=O)C(NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)C(=O)OCC 65565282 OVAQWZWLVJCMQP-UONOGXRCSA-N 333.384 1.710 0 40 EDAB CCOC(=O)C1CCN(C(=O)N[C@H](C(=O)OC)[C@H](C)CC)CC1 5323392 IRKMIRIMLNHXSQ-YPMHNXCESA-N 328.409 1.559 0 40 EDAB CC(=O)c1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nc(=O)[nH]c1C 14116982 URORWRUAGVNSBS-WDEREUQCSA-N 339.417 1.057 0 40 EDAB Cc1cn2c(=O)c(C(=O)NCc3ccc4c(c3)OCO4)cnc2s1 4505705 BMRBXMZAMXITQH-UHFFFAOYSA-N 343.364 1.723 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccccn2)CC1 6586865 HULVWXQYBLIYHY-INIZCTEOSA-N 325.368 1.570 0 40 EDAB CC(C)Oc1ccc(C(=O)NCCC(=O)NCc2cccnc2)cn1 65906433 JAUSQLUIRZTZDN-UHFFFAOYSA-N 342.399 1.700 0 40 EDAB CCN1C[C@@H](C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)CC1=O 66770531 QOTDQFWSJUAZMZ-ZFWWWQNUSA-N 344.411 1.990 0 40 EDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1COc2ccccc2O1 6993155 GBGHYTSUJICPMQ-ZDUSSCGKSA-N 345.355 1.112 0 40 EDAB COc1ccc2nnc(CCC(=O)NCCc3ccccc3)n2n1 71286644 SZTVICCCUFYJKO-UHFFFAOYSA-N 325.372 1.424 0 40 EDAB Cn1cc(CN2CC[C@@H](CSc3ccccc3)C2)c(=O)n(C)c1=O 93757149 DKBHYGSRRXSWHK-CQSZACIVSA-N 345.468 1.698 0 40 EDAB CC(C)N1C[C@H](C(=O)N2CCN(c3ccccc3F)CC2)CC1=O 7453059 GHLZRFVJXQFNOM-CQSZACIVSA-N 333.407 1.731 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)[nH]n1 96001046 YZKWXWFDYHDHII-AWEZNQCLSA-N 339.355 1.982 0 40 EDAB O=C(c1ccccn1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005371 FPJOKWPLLXQLJI-CQSZACIVSA-N 337.445 1.548 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1cccc2nsnc12 70009906 PCRJJHIETWGZTR-NXEZZACHSA-N 333.417 1.216 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)NCc2ccccc2OC)C[C@H]1C 70021540 UULJRVDTHDZQTQ-CVEARBPZSA-N 349.475 1.352 0 40 EDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(C)nn32)cc1 16971240 REBGXWPTSSBQOX-LBPRGKRZSA-N 343.343 1.285 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)n1 69327259 MPINSSNVCUUQTO-UHFFFAOYSA-N 338.371 1.324 0 40 EDAB CN(CCn1cccn1)C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 96425152 IQWPODBWFQHTJW-KRWDZBQOSA-N 346.406 1.554 0 40 EDAB C[C@H](NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C(=O)O 9547447 UCXYWOQJWKTIHI-NSHDSACASA-N 344.371 1.108 0 40 EDAB Cc1ccsc1CNC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 71856596 YIAFYLSJXGCLRG-CYBMUJFWSA-N 338.477 1.443 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 71883323 CFBVRMNNHPXIGP-LXXRFIIISA-N 345.418 1.780 0 40 EDAB Cn1nc(C(=O)N2CCC(CN3CCCCCC3)CC2)ccc1=O 71821508 RBPDWOBMYNVRNQ-UHFFFAOYSA-N 332.448 1.509 0 40 EDAB Cc1occc1CNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 71803166 WUPBWJKRMUDCSB-GFCCVEGCSA-N 334.420 1.082 0 40 EDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1cnn(-c2ccccc2)c1 71857647 OAHPDFJKDSRZEL-WBVHZDCISA-N 343.383 1.883 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)C[S@@](=O)c2ccc(F)c(F)c2)C1 89954626 MXVZBNNEZAOBMC-BGJPBQGDSA-N 344.383 1.200 0 40 EDAB Cc1cnn(CCN[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)c1 72253117 RBJVQUZUKYXBDJ-GDBMZVCRSA-N 328.416 1.810 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCNc1ncccn1 72234081 AVKCXCGAEDBKCE-AWEZNQCLSA-N 328.420 1.993 0 40 EDAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)[C@@H]1CNC(=O)N1 89929758 YGLPSMAFZJBXKI-CJNGLKHVSA-N 330.432 1.359 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nnc2ccccn12 97085651 XMPSSQJTZDWOIR-UHFFFAOYSA-N 348.432 1.999 0 40 EDAB CCCc1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)cs1 72300799 RQVOACRPVQWEJF-BDJLRTHQSA-N 336.461 1.906 0 40 EDAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(N)cc1 97375991 NVSZNJFQUYEXQB-MNVSYLFESA-N 330.475 1.627 0 40 EDAB COCCOc1cccc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)c1 76053046 YDIPUGSPJSMKIW-YJBOKZPZSA-N 348.443 1.505 0 40 EDAB CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H]2C(N)=O)CC1 76042428 LRMKUBSSGGZDBA-STQMWFEESA-N 339.436 1.404 0 40 EDAB COc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cc1O 95373576 RCONUNBXEMGASN-UHFFFAOYSA-N 327.340 1.511 0 40 EDAB CC(C)[C@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)c1nnc2n1CCC2 95394107 BSHNIMRNJKAQTK-ZBFHGGJFSA-N 346.479 1.705 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)N1CCc2c(ncn2C2CC2)C1 95393735 ANUNBPRQYHZZQF-MRXNPFEDSA-N 330.432 1.894 0 40 EDAB C[C@H](NC(=O)C[S@](=O)Cc1ccc(Cl)s1)C(=O)N(C)C 95417592 QPFBDQLJPJMXJO-FHZGZLOMSA-N 336.866 1.243 0 40 EDAB CN(C)C(=O)NCCN(C)C(=O)c1cnc(-c2ccccc2)nc1 95456696 VOERXVBUMSBGQN-UHFFFAOYSA-N 327.388 1.487 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1 78309098 CCLWPOXMFAGGTB-CQSZACIVSA-N 341.415 1.848 0 40 EDAB O=C(Cc1c(Cl)cccc1Cl)NCCN1C(=O)CNC1=O 78694040 JKGWMBVJNUJTAJ-UHFFFAOYSA-N 330.171 1.204 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)[C@@H]3COc4ccccc43)CCO2)n1 78889706 DIUZOLYQJRWLMU-UKRRQHHQSA-N 342.399 1.833 0 40 EDAB CCc1cnc(CN(C)[C@H]2CCN(Cc3nnc(C4CC4)n3C)C2)o1 78891851 LCOSUKMZDUQIHW-AWEZNQCLSA-N 344.463 1.949 0 40 EDAB CCn1cnnc1CNC(=O)N1CCN(Cc2ccsc2)CC1 95950772 RLAUSSDJDDPBRF-UHFFFAOYSA-N 334.449 1.387 0 40 EDAB Cc1ccc(C(=O)NC2CCN(C(=O)NC[C@]3(C)CCOC3)CC2)o1 95959266 VKVGJJZYSNAANK-SFHVURJKSA-N 349.431 1.918 0 40 EDAB O=S1(=O)CCC[C@H](NC[C@H](c2ccccc2)N2CCOCC2)C1 95984908 IFQZEATXSSMZBF-DLBZAZTESA-N 338.473 1.227 0 40 EDAB S=C(NCCCN1CCOCC1)N1CCN(c2ccccc2)CC1 20097984 HDYCWCBCHFNBTQ-UHFFFAOYSA-N 348.516 1.405 0 40 EDAB CN1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)CC1 36360450 MJFKMZUTVGVQKI-MRXNPFEDSA-N 331.372 1.099 0 40 EDAB CN(C)[C@H]1CCN(C(=O)c2nc([C@@H]3CCCN3C)n3ccccc23)C1 306131419 KDWOQIDFHNRTGG-HOCLYGCPSA-N 341.459 1.877 0 40 EDAB COc1ccc(NC(=O)C2(n3cnnn3)CCCCC2)cc1OC 36364803 UYYHUIFPIQFHFU-UHFFFAOYSA-N 331.376 1.988 0 40 EDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccccn1 35388673 MASWAICCANJEFW-ADAWSYLGSA-N 349.383 1.248 0 40 EDAB O=C(NCc1ccccc1)C1CCN(c2ccc3nnnn3n2)CC1 72401283 LPXJZZNZFIUSCS-UHFFFAOYSA-N 337.387 1.052 0 40 EDAB CCSc1ccc(C(=O)N2CCN(Cc3noc(C)n3)CC2)cn1 79001611 ZLPKDRSWBRRPQU-UHFFFAOYSA-N 347.444 1.843 0 40 EDAB Cn1nccc1[C@H]1[C@H](NCc2noc(C3CC3)n2)CC(=O)N1C1CC1 568305480 XXDHFGYELDTMJH-MLGOLLRUSA-N 342.403 1.275 0 40 EDAB CCOC(=O)c1cn(CCNC(=O)c2cc(O)ccc2Cl)cn1 566093637 FTOYDPVEWKBEAA-UHFFFAOYSA-N 337.763 1.849 0 40 EDAB COc1ccc(-c2n[nH]c(CNC(=O)C3(C(=O)O)CCC3)n2)cc1 566287509 GGDRFSWXKRULPQ-UHFFFAOYSA-N 330.344 1.351 0 40 EDAB CC(C)n1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 79488994 VMEDRKPSNRZICJ-LBPRGKRZSA-N 348.424 1.499 0 40 EDAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCCC1 45427910 BIMFYVWDUPLQJM-UHFFFAOYSA-N 334.395 1.280 0 40 EDAB COc1ccc(OCc2noc(CNC(=O)c3cc(C)on3)n2)cc1 49027430 YYCIAUDCIWFGAM-UHFFFAOYSA-N 344.327 1.884 0 40 EDAB CC1(C)CN(CCNS(=O)(=O)CCc2ccccc2)CCO1 195571850 RNCUOUIAUBTHSB-UHFFFAOYSA-N 326.462 1.259 0 40 EDAB Cc1ccc(C(=O)NCc2nccc(N3CCOCC3)n2)c(C)c1 224168002 JALSBFZXCAZLFY-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCc3cc(F)ccc32)O1 225790215 OPASRRKFAPWWNQ-HIFRSBDPSA-N 335.379 1.534 0 40 EDAB CCCCNc1cc(N2CCO[C@H](Cn3cc(C)cn3)C2)nc(N)n1 225540340 NMGLJJMIKIDGAF-AWEZNQCLSA-N 345.451 1.681 0 40 EDAB CC(C)N(C)C(=O)C1=NO[C@]2(CCN(C(=O)c3cccn3C)C2)C1 96074500 IDXOFQRDYYIJSW-QGZVFWFLSA-N 332.404 1.253 0 40 EDAB COCCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2C 96183093 LOKSPHSMJFCTIC-UHFFFAOYSA-N 340.445 1.646 0 40 EDAB CCc1cccnc1C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 584345061 OKJOJCSLXOKWJR-CQSZACIVSA-N 336.399 2.013 0 40 EDAB O=C1c2cc(Br)ccc2S(=O)(=O)N1Cc1ccon1 96466078 JLFPKTCPTYVNKU-UHFFFAOYSA-N 343.158 1.782 0 40 EDAB Cn1cc(C[C@@H](CNC(=O)c2cccc(Cl)c2F)C(N)=O)cn1 95450666 KGWRNJYXADDCKW-JTQLQIEISA-N 338.770 1.287 0 40 EDAB O=C1NC[C@@H](COc2ccccn2)[C@]12CCN(Cc1ccccn1)C2 96217603 QUQNGFGURYZWMR-HNAYVOBHSA-N 338.411 1.494 0 40 EDAB CN(C)C(=O)CCCS(=O)(=O)CC(=O)N(C)C1CCCCC1 97325371 MFWSPSRXHZJBJL-UHFFFAOYSA-N 332.466 1.061 0 40 EDAB O=C(C1CC=CC1)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 96074054 NOYVHYGCWPMKTR-SFHVURJKSA-N 326.400 1.788 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 96432098 JVYFNUKKHZRNIZ-GXTWGEPZSA-N 333.413 1.484 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@@H]12)N1CCCCO1 96057295 NWVKSDACUBMLBI-NUJGCVRESA-N 345.443 1.720 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCc2nc(N3CCCC3)nc(N(C)C)c2C1 96253999 UVLMMARWGAEGAA-QWHCGFSZSA-N 329.448 1.684 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)Cc2c(F)cccc2F)[C@@H]1c1cccnc1 583619515 ACUHTKDXRQUJMO-QAPCUYQASA-N 345.349 1.991 0 40 EDAB CC(C)N(C)[C@@H]1CCN(Cc2cnn(C)c2)[C@H]1Cc1cnn(C)c1 96200938 PITHINRUCMEJTO-MSOLQXFVSA-N 330.480 1.679 0 40 EDAB CS(=O)(=O)CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 95433533 ACXPXEKLVOTERJ-UHFFFAOYSA-N 336.379 1.872 0 40 EDAB O=C([C@@H]1CCOC1)N1CCN(Cc2ccncc2)c2ncccc2C1 96069207 OAPPMPIJOFVMPO-QGZVFWFLSA-N 338.411 1.862 0 40 EDAB O=C(CNC(=O)c1ccccn1)NCCc1nc2c(s1)CCCC2 96416979 GOFPUYSRRHYNRU-UHFFFAOYSA-N 344.440 1.506 0 40 EDAB NS(=O)(=O)c1ccc(CCN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 97231051 BWOPOPUQJREOPL-OAGGEKHMSA-N 336.457 1.424 0 40 EDAB Cc1ccc(NCCNC(=O)c2cnn(-c3ccc(F)cc3)n2)nn1 96414408 YWDJKJIQVBAOHD-UHFFFAOYSA-N 341.350 1.347 0 40 EDAB c1ccc(OCc2nnc3n2CCN(Cc2nccs2)CC3)nc1 96058876 QDKQGKRWYKWIFH-UHFFFAOYSA-N 342.428 1.767 0 40 EDAB Cc1cc(S(=O)(=O)Nc2ccnc(S(C)(=O)=O)c2)c(C)s1 585128525 DQSRGIDYAPUJFJ-UHFFFAOYSA-N 346.455 1.964 0 40 EDAB Cn1cnnc1[C@H]1CCCN1CC(=O)NC1C2CC3CC(C2)CC1C3 535046178 SONKCRZTNSOTDW-PKSOCPPESA-N 343.475 1.893 0 40 EDAB O=S(=O)(c1cccnc1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 247328196 OBKJDMFWVSNAGE-JYJNAYRXSA-N 338.429 1.429 0 40 EDAB NC[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 242649131 RVWGLINPBOCBGU-COXVUDFISA-N 331.393 1.930 0 40 EDAB Cc1csc(C(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)c1 257315766 VCRRVSKLNBDSKS-INIZCTEOSA-N 332.429 1.608 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c2ccccc21 257266717 MEEDQTAZUGRXNH-KBAYOESNSA-N 327.428 1.896 0 40 EDAB Cc1cc(C)n2ncc(CN3CCOC[C@@H]3c3[nH]ncc3C)c2n1 257237680 HHPLRFPFVJGMDW-OAHLLOKOSA-N 326.404 1.951 0 40 EDAB C[C@H](CN[C@H]1CCS(=O)(=O)c2ccccc21)N1CCOC[C@H]1C 253369905 JRGBBMBWNQEOKL-FMKPAKJESA-N 338.473 1.604 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 257251969 JTBWKAHMYDYYOF-AWEZNQCLSA-N 339.355 1.581 0 40 EDAB COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)N[C@H](C)C[S@@](C)=O)C2 252511069 ZSYXGLMYLKJONB-PHNKKLDZSA-N 330.450 1.128 0 40 EDAB CC(=O)N1C[C@@H]2CN(C(=O)COc3ccccc3)CCN2C(C)(C)C1 253398371 HDAWGFUXRJLYMK-INIZCTEOSA-N 345.443 1.219 0 40 EDAB biogenic,in-vitro Cc1ccnn1CCC(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257293492 QPRYTYYXMRCNKQ-SFHVURJKSA-N 343.431 1.124 0 40 EDAB CCc1cnc(N2CCO[C@H]3CN(C(=O)C4CC4)CC[C@H]3C2)nc1 253606590 VPPCPDZHZMPOOK-HOTGVXAUSA-N 330.432 1.503 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)nc1 270995882 JLUISEWITHPKSX-CQSZACIVSA-N 339.417 1.283 0 40 EDAB COc1nn(C)cc1C(=O)Nc1ccccc1Cc1nc(C)no1 96097062 MWRQBTYFMPOFTJ-UHFFFAOYSA-N 327.344 1.963 0 40 EDAB CC(C)NC(=O)[C@@H]1COC2(CN(C(=O)C3CCC3)C2)CN1CC1CC1 575405919 UYTHBIAPLUTOSN-INIZCTEOSA-N 349.475 1.003 0 40 EDAB Cc1c(S(=O)(=O)NCc2nc(N(C)C)n[nH]2)c2ccccc2n1C 907375018 JKGFWHRNSNYEHZ-UHFFFAOYSA-N 348.432 1.149 0 40 EDAB Cc1cc(C)nc(N2CCOC[C@@](O)(COc3cccc(F)c3)C2)n1 585278061 ZINZDUXOGQADSG-GOSISDBHSA-N 347.390 1.879 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(Cc2cscn2)CC1 55436508 XBPIRIWCQYIDGE-UHFFFAOYSA-N 333.461 1.380 0 40 EDAB O=S(=O)(Cc1ccccc1)NC1CCN(c2cnsn2)CC1 1565522703 OMAYOLFZRNIDTJ-UHFFFAOYSA-N 338.458 1.627 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc(-c2ccco2)cc(N)c1=O 12146662 NURCAHHJYKGOMV-VXGBXAGGSA-N 330.388 1.875 0 40 EDAB O=C(C1CCOCC1)N1CCC(O)(Cn2ccc3ccncc32)CC1 13268166 NDELPFXDYUFSFI-UHFFFAOYSA-N 343.427 1.816 0 40 EDAB COC(=O)C1(Cl)[C@H]2CCC[C@@H]1C2NS(=O)(=O)c1ccccc1 13513729 DSIRNRZNPRXWMX-DOOHLRMFSA-N 343.832 1.914 0 40 EDAB CC[C@H](C(=O)NCCCOC)N(c1ccccc1)S(C)(=O)=O 13710992 RNRKVDIDGDQDLQ-CQSZACIVSA-N 328.434 1.384 0 40 EDAB COc1ccc(CC(=O)Nc2nnc3n2CCCS3)cc1OC 16959834 WFFIFGDORWKQDR-UHFFFAOYSA-N 334.401 1.972 0 40 EDAB Cc1cnn(CC(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)c1 19239889 ZQOORMCCBAEPND-ZDUSSCGKSA-N 337.383 1.444 0 40 EDAB Cc1nccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 19287552 VJWZSYKLJDFYSG-UHFFFAOYSA-N 326.400 1.832 0 40 EDAB O=c1[nH]c(-c2cnccn2)nc2c1CCN(Cc1ccccc1F)C2 19349424 JKWDEEUQFYUCQH-UHFFFAOYSA-N 337.358 1.924 0 40 EDAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCn2cnnn2)c1 19551293 JMSLLFUFBGOXKL-AWEZNQCLSA-N 331.376 1.444 0 40 EDAB COCCC(=O)N(C)Cc1nc(N(C)C)ncc1-c1ccncc1 19585358 IKHHFSOIRGIAKU-UHFFFAOYSA-N 329.404 1.600 0 40 EDAB Cn1nccc1CN1CC(C(=O)N2CCN(c3ccccc3)CC2)C1 19745201 HUUJQJZYLXNHSQ-UHFFFAOYSA-N 339.443 1.201 0 40 EDAB COc1cccc(CC(=O)N2[C@H]3CC[C@H]2CC(S(C)(=O)=O)C3)c1 101115744 GTHCKBXJUOSORH-KBPBESRZSA-N 337.441 1.804 0 40 EDAB CCOC(=O)c1c(SCC(=O)NC2CCCC2)nc(=O)[nH]c1C 5251663 ONVJJKIRXOEJNI-UHFFFAOYSA-N 339.417 1.406 0 40 EDAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCCN(CC(N)=O)C2)n1 643551169 ZHPFYVZPMMGMAU-LBPRGKRZSA-N 346.460 1.958 0 40 EDAB COCCN1CC=CCC2(CCN(Cc3cnn(C)c3)CC2)C1=O 643912216 ZJQJSJQUZIFDCT-UHFFFAOYSA-N 332.448 1.437 0 40 EDAB Cc1noc(C)c1CC(=O)NCCn1nc(C(F)(F)F)ccc1=O 1888849574 YRVQJGUVHOGPNL-UHFFFAOYSA-N 344.293 1.226 0 40 EDAB COc1ccnc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)n1 1888859292 ITHLUJSJGCABBO-PHIMTYICSA-N 346.366 1.001 0 40 EDAB Cc1ccnc(N2CC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)C2)n1 1888869631 XEEPTXWTVHMWIE-MRXNPFEDSA-N 346.456 1.826 0 40 EDAB Cc1cc(OC2CN(C(=O)Cn3c(=O)oc4ccccc43)C2)ccn1 1889217655 MXJXQSYMDHODEQ-UHFFFAOYSA-N 339.351 1.588 0 40 EDAB O=C(c1csnn1)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1 1614927407 POZSFPAZEKNDAL-GFCCVEGCSA-N 346.416 1.506 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(c2nccc(-c3ccccn3)n2)CC1 2086918790 LSZPNAUDAVQZJI-INIZCTEOSA-N 339.399 1.366 0 40 EDAB CCn1c(=O)c2ccccc2n2nnc(C(=O)N3CCCCC3)c12 2087044439 YSRUSKQVNMNCEY-UHFFFAOYSA-N 325.372 1.690 0 40 EDAB CO[C@@H]1CNC[C@@H]1NC(=O)c1cc(Cl)ccc1Br 1548448138 NFXZVHYIELSPLF-WDEREUQCSA-N 333.613 1.819 0 40 EDAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2C(=O)CC2(O)CCC2)cn1 1565552479 WNPOPBXVZDQXCS-IRXDYDNUSA-N 347.459 1.664 0 40 EDAB COc1ccc(OC)c(Nc2nc(NCCO)c3cnn(C)c3n2)c1 4272769 MRZSIAHGHIGBIJ-UHFFFAOYSA-N 344.375 1.528 0 40 EDAB O=C(COc1ccccc1F)Nc1ccc2c(c1)C(=O)NCCO2 9172116 GHWLOKPHMWNOIC-UHFFFAOYSA-N 330.315 1.965 0 40 EDAB O=C(NCC1CCC1)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055713602 MRSDFLUDFLTBHZ-CQSZACIVSA-N 330.432 1.502 0 40 EDAB O=C(NC1CCC1)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713858 RXRAIZDFZMIWOO-CYBMUJFWSA-N 330.432 1.740 0 40 EDAB O=C(N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1)C1=CCCC1 2055731537 BKEHWQCWECYWAS-ZIAGYGMSSA-N 331.416 1.325 0 40 EDAB CCOCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713693 ZIPDVXRNGDFGPK-CQSZACIVSA-N 348.447 1.224 0 40 EDAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1OC 4263866 UNKGHPDTYLTLOQ-UHFFFAOYSA-N 326.308 1.840 0 40 EDAB CN(C)c1nc(N)nc(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)n1 77256860 LSMDDVGEJVUQPM-UHFFFAOYSA-N 331.767 1.001 0 40 EDAB Cc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)o1 40087801 UQJGHTIXXAMSNP-CQSZACIVSA-N 327.384 1.990 0 40 EDAB CN(c1ccccc1)c1nc(N2CCOCC2)nc(-n2ccnc2)n1 22108 DXDWMHWXDNCXQB-UHFFFAOYSA-N 337.387 1.662 0 40 EDAB COCCNC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O 50514210 ARCBIMIKUFUFKY-UHFFFAOYSA-N 343.408 1.888 0 40 EDAB Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ncc(C)s2)on1 68339790 AZUPCMSRQJWNLP-VIFPVBQESA-N 338.414 1.902 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cn1 16130677 YYAJAUSRXAWPIT-UHFFFAOYSA-N 326.305 1.728 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(N2CCCC2=O)cc1 40549011 ZTFJIMLUXNXEHE-JSGCOSHPSA-N 329.400 1.539 0 40 EDAB Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnc2onc(C)c2c1 81073839 KDJJYKGDIVFCHC-GFCCVEGCSA-N 348.388 1.245 0 40 EDAB Cc1cc(C)n(CCC(=O)Nc2cccc(NS(C)(=O)=O)c2)n1 29166921 DEIOBYLSLWNCMZ-UHFFFAOYSA-N 336.417 1.900 0 40 EDAB CCSc1nc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 4139106 GZCMMDGFTNGXGN-UHFFFAOYSA-N 328.397 1.806 0 40 EDAB CCc1ccc(C(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1 6033800 YFFRKUVECPXHIN-LLVKDONJSA-N 340.383 1.440 0 40 EDAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 6699592 IPNXCJKQLZETLC-WTTBNOFXSA-N 332.444 1.986 0 40 EDAB COc1cc(C(=O)NCc2ccccc2F)ccc1OCC(N)=O 7960930 ZRFKIIGXEOMYKD-UHFFFAOYSA-N 332.331 1.628 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3cc(-c4cccs4)on3)CC2)N1 21475385 MSXHSIAXPVDLCQ-UHFFFAOYSA-N 346.368 1.217 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 41164847 YXNVYQYUOOGEPN-LLVKDONJSA-N 330.837 1.741 0 40 EDAB COCCN1CCOC[C@]2(CC[C@H](CN(C)Cc3cccnc3)O2)C1 107195045 FNNWWUWDPQERJP-MOPGFXCFSA-N 349.475 1.410 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccccc2F)CC1 9114149 OIMOUYWGKAIBAG-UHFFFAOYSA-N 339.392 1.941 0 40 EDAB C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CN(C)S(C)(=O)=O 71914780 WRBFUEXTJSLROR-NSHDSACASA-N 332.853 1.621 0 40 EDAB O=C(c1cnccn1)N1CCN(CCOc2ccc(Cl)cc2)CC1 21925892 HDPLZZGZMZSHMN-UHFFFAOYSA-N 346.818 1.967 0 40 EDAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c1 75259884 ZNFMWPSABXPXLV-LJQANCHMSA-N 343.427 1.162 0 40 EDAB NC(=O)CN(CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 71900601 CSNIPMQLSQYUEZ-UHFFFAOYSA-N 332.791 1.661 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)NC(C)C)CC2)cc1 23081101 MOMLLTNZZZWMPB-UHFFFAOYSA-N 339.461 1.809 0 40 EDAB O=C(C[C@H]1CCCO1)NCCS(=O)(=O)N1CCc2ccccc21 46788672 IXJKPJDIWWRTGS-CQSZACIVSA-N 338.429 1.064 0 40 EDAB O=C(O)C1=C[C@@H](c2ccc(O)cc2)n2nc(C(F)(F)F)nc2N1 101600017 CRZZOLDNNMQJIO-VIFPVBQESA-N 326.234 1.986 0 40 EDAB Cc1csc(CN2CCC3(CC2)CC(NS(C)(=O)=O)C3)n1 108529373 ZRCCDHSSSWEPSB-UHFFFAOYSA-N 329.491 1.745 0 40 EDAB CCCN1C(=O)C(=O)N(CN2CC=C(c3ccccc3)CC2)C1=O 24013842 VCPBUVWNQGIYRB-UHFFFAOYSA-N 327.384 1.934 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC2CCN(CC(N)=O)CC2)o1 43122394 IYXOBMWOYGIEHB-DOMZBBRYSA-N 333.432 1.402 0 40 EDAB Cn1c(=O)c2c(nc3scc(CNc4ccccc4)n32)n(C)c1=O 1429295 PYGAEMJWOZPQHE-UHFFFAOYSA-N 341.396 1.559 0 40 EDAB CCO[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 106871053 HOIIUSXAAPITJJ-LERXQTSPSA-N 326.418 1.278 0 40 EDAB Cc1n[nH]c([C@H]2CN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CCO2)n1 106918272 CQRIAWLZDXJZIM-QMTHXVAHSA-N 340.387 1.484 0 40 EDAB CC[C@H]1CN(CC(=O)NCc2cccc(OC)c2)CCN1C[C@H](C)O 106906723 CSKKFWWTFFXXGV-RDJZCZTQSA-N 349.475 1.088 0 40 EDAB O=C(NC1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1F 56808835 FSKCMFHLMBXNJN-UHFFFAOYSA-N 333.407 1.642 0 40 EDAB CSC[C@@](C)(O)CNS(=O)(=O)c1cccc2cccnc12 178783211 XTLUZXBOXRVPTP-AWEZNQCLSA-N 326.443 1.627 0 40 EDAB CC(C)NC1CCN(CC(=O)N2CC(=O)Nc3ccccc32)CC1 108368566 UZGGWDPBBCZRRC-UHFFFAOYSA-N 330.432 1.434 0 40 EDAB CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(CCn2cncn2)C1 89893504 ADQLKJSWHXGBMU-OAHLLOKOSA-N 346.435 1.513 0 40 EDAB COc1cccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1 24689864 WTCSTXPKXWZRIB-ZDUSSCGKSA-N 326.418 1.239 0 40 EDAB COCCCNC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 57775698 VHZBJQIPTKTXQP-LBPRGKRZSA-N 336.310 1.954 0 40 EDAB COC[C@H](C)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 89912544 LEWYNLJBRIRBJL-HKUYNNGSSA-N 345.487 1.830 0 40 EDAB CCCN(CC(F)(F)F)S(=O)(=O)c1cc(C(N)=O)n(C)c1 58279715 LXFMVAKJNUPEER-UHFFFAOYSA-N 327.328 1.087 0 40 EDAB COc1ccc(OC)c(CN(C)C(=O)N[C@@H]2CCCCNC2=O)c1 58241219 IBGBNDHJBVXMSP-CQSZACIVSA-N 335.404 1.514 0 40 EDAB CCC[C@@H](C(=O)NCCN1CCS(=O)(=O)CC1)c1ccccc1 44934415 MZKGLVFTSMHHBU-MRXNPFEDSA-N 338.473 1.417 0 40 EDAB COc1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cn1 44950934 RJWKBJDOVARPCI-UHFFFAOYSA-N 327.388 1.835 0 40 EDAB O=C(Nc1cccc(C(=O)O[C@@H]2CCS(=O)(=O)C2)c1)NC1CC1 58378647 GJDGDUAZIKKYCL-CYBMUJFWSA-N 338.385 1.314 0 40 EDAB COc1c(CNC[C@@H]2CN(Cc3ccccc3)CCO2)c(C)nn1C 58341618 QPYOBYCIDDODIJ-QGZVFWFLSA-N 344.459 1.728 0 40 EDAB CCOC(=O)N1CCN(C(=O)Nc2ccc(C(=O)OC)cc2)CC1 48008601 HQOCMZGNNOUGPA-UHFFFAOYSA-N 335.360 1.779 0 40 EDAB C[C@H](Nc1cccc(F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3337507 DZXIWCUSUAMRRL-JTQLQIEISA-N 337.376 1.912 0 40 EDAB Cc1ccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cn1 48230717 MQBWJESFVKQDOH-AWEZNQCLSA-N 334.397 1.813 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24689153 YDIQHONZQDITEA-KBPBESRZSA-N 340.445 1.384 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)[C@@H](C)OC[C@H]1CCCCO1)C2 69741185 KSMRJPBCTYWHJO-ZIAGYGMSSA-N 336.436 1.718 0 40 EDAB O=C(Nc1nnc(C2CCCCC2)s1)N(CCO)CCCO 70038194 ZSNXOUAIBKKRMA-UHFFFAOYSA-N 328.438 1.794 0 40 EDAB COC(=O)N1CCCN(C(=O)Nc2cccc(NC(C)=O)c2)CC1 69743852 ULPZQZGBNQFLEN-UHFFFAOYSA-N 334.376 1.951 0 40 EDAB C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 69768953 KUNIJRQBQGZGQC-XHDPSFHLSA-N 337.370 1.449 0 40 EDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(F)cc1 13127061 NMOSGAGFDBLHPB-AWEZNQCLSA-N 332.335 1.896 0 40 EDAB O=C(Nc1ccc(N2CCCC2)c(F)c1)N[C@H]1CCS(=O)(=O)C1 69708039 ONSRIWFUGUMJMS-LBPRGKRZSA-N 341.408 1.735 0 40 EDAB CNC(=O)C1CCC(NC(=O)c2cc(-c3cccnc3)on2)CC1 63259360 ASVFBFAJWVYQGW-UHFFFAOYSA-N 328.372 1.771 0 40 EDAB C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H](C(N)=O)c1ccccc1 69394427 PKGAUUBJDODXMH-SUMWQHHRSA-N 345.443 1.804 0 40 EDAB CCn1ccnc1CN1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 69444527 VDNFESLBWBTXNR-QGZVFWFLSA-N 345.422 1.386 0 40 EDAB CN1CCN(CCNC(=O)c2ccnc(Oc3ccccc3)c2)CC1 69452274 ICVNAOLIKSIKBD-UHFFFAOYSA-N 340.427 1.851 0 40 EDAB C[C@H]1CN(c2ncnc3c2CCC3)CCN1c1ccc2nncn2n1 69459606 DZCGJRDMADCFTJ-LBPRGKRZSA-N 336.403 1.118 0 40 EDAB CN(C)[C@@]1(C(=O)NCc2nc(C3CC3)no2)CCc2ccccc21 69416944 KBYHAKQKQXCBBQ-SFHVURJKSA-N 326.400 1.967 0 40 EDAB CSc1ccc(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 6127668 QTDKSEXDWCPQSJ-LLVKDONJSA-N 329.443 1.433 0 40 EDAB CCN1CCN(C(=O)NCc2ccc(Cn3cncn3)cc2)CC1 65440926 YYNVDWUXKKXEAA-UHFFFAOYSA-N 328.420 1.174 0 40 EDAB Cn1ncc2c(=O)[nH]c(CN(Cc3ccc(F)cc3)C3CC3)nc21 65415585 WGLFKDNKEFZQHN-UHFFFAOYSA-N 327.363 1.960 0 40 EDAB C[C@H](C(=O)NCCOc1ccccc1)N1C(=O)NC2(CCCC2)C1=O 65579031 VHPPBEFFXNHJSL-CYBMUJFWSA-N 345.399 1.435 0 40 EDAB O=S1(=O)CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 4505454 MINBKYIGERUEJW-SSDOTTSWSA-N 344.241 1.459 0 40 EDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(C)no1 14236948 LEEAIEMOEBPQMP-UHFFFAOYSA-N 339.373 1.494 0 40 EDAB C[C@@H]1CCCN(C(=O)CSc2nnnn2C2CCOCC2)C1 69584436 PHBGJXDSIMKVSE-LLVKDONJSA-N 325.438 1.375 0 40 EDAB COc1ccc(OC[C@@H](O)CN2CCC[C@H](Cn3cncn3)C2)cc1 69849452 GCRXDCQWAJNRQE-HOTGVXAUSA-N 346.431 1.439 0 40 EDAB COc1ccc(CNC(=O)[C@@H](C)Sc2nc(N)cc(N)n2)cc1 6533278 BGHMCDLFABOJFR-SECBINFHSA-N 333.417 1.447 0 40 EDAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nncs3)nc2c1 6506182 UBRIBMDRBMMGRR-UHFFFAOYSA-N 334.382 1.854 0 40 EDAB CCC[C@@H](C)NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O 5573892 QMEDAKWRJYQXAT-LLVKDONJSA-N 342.417 1.520 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 69981016 OAGUSSDWAYCODE-WMZOPIPTSA-N 332.444 1.258 0 40 EDAB CCC(=O)c1ccc(OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 6860050 BTIDCFJKIKLIKV-INIZCTEOSA-N 339.413 1.352 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1 5937546 PICCBTQBQGSHPY-MRXNPFEDSA-N 328.412 1.568 0 40 EDAB CCN(CC)C(=O)CN(C)C(=O)c1nn(-c2ccccc2F)cc1O 89967612 LDQFAMAVVPNNIY-UHFFFAOYSA-N 348.378 1.657 0 40 EDAB CCCN1C(=O)[C@H](NC(=O)C(=O)NCc2ccco2)c2ccccc21 9304826 MSFAJFZGFHXQAW-OAHLLOKOSA-N 341.367 1.510 0 40 EDAB CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cnn(C)c2)C12CCCC2 76019903 DZTCNQWXLFLHDA-KGLIPLIRSA-N 327.450 1.778 0 40 EDAB Cc1sc2ncn(NC(=O)CSc3ncn[nH]3)c(=O)c2c1C 9514215 QAAIGULDEVKJDM-UHFFFAOYSA-N 336.402 1.055 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@H]3C[C@H]3c3cnn(C)c3)CC2)cs1 71830643 DHXWXWMDOZETIN-HOTGVXAUSA-N 345.472 1.633 0 40 EDAB Cc1ccccc1CNC(=O)CN(C)CC1CCN(C[C@@H](C)O)CC1 71871580 YFHZNWYVNWLOIL-QGZVFWFLSA-N 347.503 1.636 0 40 EDAB CN(C)[C@H](C(=O)N1CCC[C@H](N2CCNC2=O)C1)c1ccccc1 71841622 XZNGOPLDBVIUMO-HOTGVXAUSA-N 330.432 1.306 0 40 EDAB C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCCS(C)(=O)=O 76018166 IEVVVEAZZBIZJU-NSHDSACASA-N 332.853 1.957 0 40 EDAB COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](COC)C(C)C)c1C 72295455 LWCCUYMSMUMIOA-ZDUSSCGKSA-N 340.420 1.836 0 40 EDAB CCS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCc3nccn3C2)cc1 72242384 POHAMJWGQBSBNF-AWEZNQCLSA-N 347.440 1.350 0 40 EDAB COc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2C(C)C)c(C)c1C 78771516 YOTXXPWXJLIHSM-OAHLLOKOSA-N 340.445 1.457 0 40 EDAB Cn1cc(S(=O)(=O)NCc2cc(Cl)cc3c2OCC3)cn1 97114719 KBJYJEKWTUCWML-UHFFFAOYSA-N 327.793 1.487 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)c3ccc4c(c3)nc(C)n4C)CCO2)n1 78890136 IMHZCKUJLFTBIU-OAHLLOKOSA-N 340.387 1.522 0 40 EDAB CCN(C(C)=O)c1nc(CN2CCc3nn(C)c(=O)cc3C2)cs1 72302451 WJDRTDAIZYZLFU-UHFFFAOYSA-N 347.444 1.168 0 40 EDAB C[C@@H](C(=O)Nc1nnc(C2CC2)s1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 97212959 OELFXUVMDHGKKB-JMJZKYOTSA-N 346.412 1.694 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C[C@@H](O)c3cccc(F)c3)C2)n[nH]1 84372030 NQDZDWUEKNEISX-BLLLJJGKSA-N 332.379 1.561 0 40 EDAB Cc1nc(N2CCC[C@@H](NS(C)(=O)=O)C2)nc(C)c1CC(C)C 79026476 HNZJRSYARHTZAV-CQSZACIVSA-N 340.493 1.810 0 40 EDAB O=c1c2cnn(-c3ccccc3)c2nnn1Cc1nccn1C(F)F 95411511 YXDPPCAZMMSWNU-UHFFFAOYSA-N 343.297 1.617 0 40 EDAB CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CCCC2)c1 95461175 XAFDTXOTZVOVJM-CYBMUJFWSA-N 347.415 1.683 0 40 EDAB CC[C@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1c(C)nn(C)c1C 95436958 LCNDUHBDBJCYON-LSDHHAIUSA-N 347.463 1.941 0 40 EDAB C[C@H]1CCc2ccccc2N1C(=O)[C@H](C)S(=O)(=O)c1ncc[nH]1 95425633 WSENXTRNRNJSPS-RYUDHWBXSA-N 333.413 1.940 0 40 EDAB O=C(Cc1csc(-n2cccc2)n1)NCc1nnc2ccccn12 95475811 HAIJBOCNWNOSIE-UHFFFAOYSA-N 338.396 1.835 0 40 EDAB Cc1cc(NC(=O)C(=O)NCc2cccc(-c3cnn(C)c3)c2)no1 95448053 SNWOJPCSVFWZEP-UHFFFAOYSA-N 339.355 1.638 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 409300806 AEYNELLGWNZLRT-YKTARERQSA-N 341.363 1.680 0 40 EDAB NS(=O)(=O)CCCN1CCC(CN2CCc3ccccc32)CC1 95957592 NFPYQRBQUVVTMY-UHFFFAOYSA-N 337.489 1.440 0 40 EDAB O=S(=O)(NCc1nccn1Cc1ccccc1)c1ccccn1 95986174 HLFCGIKICWOIPU-UHFFFAOYSA-N 328.397 1.805 0 40 EDAB CS(=O)(=O)CCC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F 89484241 MQEGOEZKOOBSES-NSHDSACASA-N 327.299 1.980 0 40 EDAB Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 89526110 OBOXPDMPNSXXLA-GFCCVEGCSA-N 345.403 1.765 0 40 EDAB CCOC(=O)c1nn(CC(F)F)cc1I 408717300 YCIJWPZOLGNPQW-UHFFFAOYSA-N 330.072 1.930 0 40 EDAB COc1ccc(C(=O)[C@@H](NCCCO)c2oc(C)cc(=O)c2O)cc1 1547139213 LZUQUSCQYZYBJR-OAHLLOKOSA-N 347.367 1.558 0 40 EDAB biogenic COC(=O)[C@H](NC(=O)c1ccc(C)cc1)c1nnc(C(F)F)o1 35681927 VJEXQXVTQQEYMI-SECBINFHSA-N 325.271 1.960 0 40 EDAB Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2C)cc1 408552641 MGOBIRLTWMCKMW-UHFFFAOYSA-N 325.368 1.997 0 40 EDAB Cc1cc(N2CCC(N3CCNC3=O)CC2)nc(-c2ccncc2)n1 65625025 PRRJISPPVNOKFA-UHFFFAOYSA-N 338.415 1.841 0 40 EDAB CC(C)(C)NC(=O)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35314593 NXQXKWWMLGPBBB-UHFFFAOYSA-N 342.447 1.744 0 40 EDAB CC(C)C(=O)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 306127859 GJGNGECWDXJTSK-CYBMUJFWSA-N 338.429 1.132 0 40 EDAB Cc1cc(C(=O)N[C@H](C)Cc2cn(C)nc2C)c2cnn(C)c2n1 36614378 GXNQXDKQDSAIJN-SNVBAGLBSA-N 326.404 1.680 0 40 EDAB O=C(Nc1ccon1)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 189083029 NLBUKTFHCDRYJL-UHFFFAOYSA-N 339.355 1.896 0 40 EDAB O=C(O)c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)NC2CC2)c1 217441812 DMOPWCMHLTURSU-GFCCVEGCSA-N 340.401 1.416 0 40 EDAB Cc1noc(CCCNC(=O)C(=O)Nc2ccc(F)c(F)c2F)n1 77837550 ORQCILACWKGPPB-UHFFFAOYSA-N 342.277 1.483 0 40 EDAB CN(C)C(=O)CN1CCC[C@H](c2cc(C(=O)NC3CCCC3)[nH]n2)C1 72380480 AXKRSGXCJXISKA-ZDUSSCGKSA-N 347.463 1.350 0 40 EDAB CNC(=O)c1noc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 71551715 BWMVSBSLYRGADS-GFCCVEGCSA-N 336.779 1.656 0 40 EDAB O=S1(=O)CC[C@@H](N(CCS(=O)(=O)c2ccccc2)C2CC2)C1 79027930 LDIRRMLOFBRXMK-CQSZACIVSA-N 343.470 1.112 0 40 EDAB Cc1nonc1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 35671030 KEHREEIMEFCIJF-UHFFFAOYSA-N 340.380 1.024 0 40 EDAB Cc1nc(CCc2ccc(S(=O)(=O)N(C)C)cc2)ncc1C(=O)O 49468484 HFVMLXKOZVCNQU-UHFFFAOYSA-N 349.412 1.519 0 40 EDAB CC1(C)[C@H]2CC[C@]1(C)[C@H](O[C@H](O)CN1CCN(CCO)CC1)C2 41689814 UNIVYCDNGGXPIN-UIBIWLFHSA-N 326.481 1.146 0 40 EDAB O=C1C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)CN1C1CC1 75161539 CEMSAOIRHKOVKR-CQSZACIVSA-N 330.409 1.881 0 40 EDAB CNC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 41262347 AXHNHFICEDKTLR-UHFFFAOYSA-N 336.388 1.311 0 40 EDAB Cc1nn(C)c2cn(CC(=O)N3CCN(c4ccccc4)CC3)nc12 46087560 JZKRVSWTDMKWMX-UHFFFAOYSA-N 338.415 1.427 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CN(Cc3ccoc3)[C@@H]3CCCO[C@H]23)cn1 96056339 JPNANKLYDMHUPH-BZUAXINKSA-N 330.388 1.175 0 40 EDAB CN(C)c1ncc(CNC(=O)[C@H]2C[C@@]23CCOc2ccccc23)n1C 332906024 ZBPDXHHGMLUWNP-DNVCBOLYSA-N 340.427 1.843 0 40 EDAB Cn1c(CN2CCC[C@@H](C3(C)OCCO3)C2)nc2ccccc2c1=O 97372245 KWXFLLZRXHRIQO-CQSZACIVSA-N 343.427 1.909 0 40 EDAB C[C@H](NCCN1CCCC1=O)c1ccc(S(C)(=O)=O)c(F)c1 96491980 LAXFQMKKNACBAA-NSHDSACASA-N 328.409 1.502 0 40 EDAB O=C(Nc1ccnc2ccnn12)[C@H]1CCCN1C(=O)c1ccco1 96411702 CGQMBBKWLJVOPC-LLVKDONJSA-N 325.328 1.566 0 40 EDAB CC1(C)CN(Cc2cn(CC(=O)O)nn2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 579250914 UVKGHHCSTBODSD-IGCXYCKISA-N 334.420 1.532 0 40 EDAB CN(C)CCOCc1cncc2c1CCN(C(=O)C1CCOCC1)C2 96189355 NYRVPXSHYWAMJC-UHFFFAOYSA-N 347.459 1.471 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)nn1C 96416694 ZGUPHJFYHXBDJQ-ZDUSSCGKSA-N 332.791 1.917 0 40 EDAB Cn1cc([C@H]2C[C@H](NS(=O)(=O)CCc3ccccc3)CCO2)cn1 583651075 DWGOQEOFLYXJMQ-IAGOWNOFSA-N 349.456 1.802 0 40 EDAB CN(C)c1cc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)ccn1 583617393 FSORRVZNSHHBOL-RHSMWYFYSA-N 343.431 1.665 0 40 EDAB CN1CCN(C(=O)C2(O)CCCCC2)C[C@@H]1c1nc(C2CC2)no1 583621262 GIVCVFWMVXNLFR-CYBMUJFWSA-N 334.420 1.457 0 40 EDAB CS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 96040460 GEBTXCWAZRIELC-UKRRQHHQSA-N 326.418 1.291 0 40 EDAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3cncs3)C2)ncn1 257311946 ULSQUDVCXUZWFE-HNNXBMFYSA-N 333.417 1.003 0 40 EDAB O=C(Cc1ccc2c(c1)CCC2)N1CC[C@@](O)(CN2CCCC2)C1 257248992 JGFDBVYRNYSJID-HXUWFJFHSA-N 328.456 1.777 0 40 EDAB CN(C)[S@](C)(=O)=NC(=O)CN1CCCC[C@@H]1C(=O)OC(C)(C)C 585117219 VERKFJFKXLMFAO-SFDCACGMSA-N 347.481 1.284 0 40 EDAB CCCN(CCC)S(=O)(=O)N[C@H]1CCO[C@H](c2cnn(C)c2)C1 585114512 GHSZEBDHVKBLGW-GJZGRUSLSA-N 344.481 1.597 0 40 EDAB COC(=O)c1ccc(NC(=O)N[C@H]2CS(=O)(=O)C2(C)C)cc1 585138143 RGBIFRLYXNIWRC-NSHDSACASA-N 326.374 1.170 0 40 EDAB Cc1nnc(CN(CCN2CCOCC2)[C@@H]2CCSC2)s1 585116439 VUJGZCPNLZNQEK-CYBMUJFWSA-N 328.507 1.486 0 40 EDAB CN1C(=O)CO[C@H]2CCN(C(=O)c3nccc4ccccc34)CC[C@@H]21 257273012 NEXFLAANERISKM-HOTGVXAUSA-N 339.395 1.697 0 40 EDAB Cn1ccnc1-c1cc(C[C@H]2CCN(C(=O)c3ccncc3)C2)ncn1 257224300 FBEVBYCWAJSXGO-CQSZACIVSA-N 348.410 1.977 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccnc(Cc2ccccc2)c1 257306090 SSVVXLGEDPZFCI-OAHLLOKOSA-N 330.409 1.589 0 40 EDAB CCc1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)no1 257205473 AZFZMTXNRSXMSE-SFHVURJKSA-N 344.415 1.736 0 40 EDAB O=C(C1CN(c2cc(-n3cccn3)ncn2)C1)N1CCc2ccccc21 253472519 MWMJYVJFOXPCCY-UHFFFAOYSA-N 346.394 1.688 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCCC[C@H]3CNCC[C@H]32)c1C 257300783 RVQXKUFCAJFOJX-UONOGXRCSA-N 326.466 1.364 0 40 EDAB CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 260841610 AYTRKIFBQOCUAW-CABCVRRESA-N 347.525 1.837 0 40 EDAB Cc1nocc1S(=O)(=O)N1CCC[C@@H](NCC(F)(F)F)C1 1615585453 GQNRPOPPIHKWOY-SECBINFHSA-N 327.328 1.288 0 40 EDAB O=S(=O)(NCC[C@H](O)c1ccoc1)c1ccc2c(c1)OCCO2 90613130 NERYYJHIGPSBSD-ZDUSSCGKSA-N 339.369 1.453 0 40 EDAB C[C@H]1CC(NS(=O)(=O)c2cc(F)ccc2NCCO)C[C@H](C)O1 1615046361 ABPLRBMJDUQNNS-QWRGUYRKSA-N 346.424 1.464 0 40 EDAB CO[C@@H](CNC(=O)N[C@H]1C[C@H](O)[C@H](O)C1)c1cccc(Cl)c1 1615057941 WESOFLGWWCPWIX-FQUUOJAGSA-N 328.796 1.211 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CC(S(=O)(=O)CC(C)C)C1 96122032 QNRQDFVCBLDCCI-UHFFFAOYSA-N 349.449 1.578 0 40 EDAB C[C@H](Oc1cccc(F)c1)C(=O)NCCn1cnc(C2CC2)cc1=O 575604068 PWPUSXGCGUMITF-LBPRGKRZSA-N 345.374 1.844 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@H](OCc3csc(C)n3)CS2)C1 575406147 WTLBHPTUSFGWIJ-LBPRGKRZSA-N 348.515 1.878 0 40 EDAB O=C(/C=C/CN1CCOCC1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 585290343 BTJXNCLXNDLHKE-FQMXMGHCSA-N 344.455 1.469 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1cccn1-c1ccccn1 585290855 IHCFMSFWZMVDBK-NUJGCVRESA-N 331.416 1.733 0 40 EDAB CNC(=O)[C@H]1CCC[C@H]1Nc1nc2c(c(C)nn2C)c(Cl)c1C 585142352 UBHKCGLHNAYZLV-WDEREUQCSA-N 335.839 2.565 0 40 EDAB Cn1cnc2c1C[C@@H](COc1ccccn1)N(S(=O)(=O)C1CC1)C2 585095014 ZQSSUDZAYLJFFC-LBPRGKRZSA-N 348.428 1.113 0 40 EDAB CCc1cc(CNC(=O)CC[C@H]2[C@@H](OC)CCCN2C(C)=O)on1 585280216 CTWMUJSMCLDMQJ-HOTGVXAUSA-N 337.420 1.659 0 40 EDAB CS(=O)(=O)NCC[C@H]1CN(Cc2ccccc2)Cc2ccnn21 585112003 GPKSVKHSYNMOBE-INIZCTEOSA-N 334.445 1.379 0 40 EDAB CN1C[C@H](COCc2cccnc2)CC12CN(Cc1cn[nH]c1)C2 585093939 RBCQQKQMKDOJIC-MRXNPFEDSA-N 327.432 1.528 0 40 EDAB O=C(NCc1cccc2occc12)N[C@H]1COC[C@H]1n1ccnn1 685938975 MNTHVJFJAVDFJF-UONOGXRCSA-N 327.344 1.464 0 40 EDAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NCc1cccnc1 57422761 JFOIDTFSGXQGRY-CQSZACIVSA-N 340.449 1.085 0 40 EDAB Cc1cccc2nc(CNC(=O)Cn3c(=O)n(C)c4ccccc43)cn12 68569614 GTBYQTYLEHKCLO-UHFFFAOYSA-N 349.394 1.613 0 40 EDAB CCn1ccnc1[C@@H]1OCC[C@H]1NC(=O)N1CCc2nccnc2C1 1548453506 XEZIZXKGCXMDCL-UKRRQHHQSA-N 342.403 1.291 0 40 EDAB COC(=O)c1ccc(N2CCN(Cc3csc(C)n3)CC2)nn1 69532119 LXSGKBDDRKAIIE-UHFFFAOYSA-N 333.417 1.350 0 40 EDAB COC(=O)N1CCC[C@H](C(=O)Nc2cccc(-n3cnnc3)c2)C1 69564248 UKDKPXCUOXZDDT-LBPRGKRZSA-N 329.360 1.684 0 40 EDAB COC[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1)c1ccccc1 892688794 BPXSOGKENVMTLT-ZNMIVQPWSA-N 338.429 1.060 0 40 EDAB O=C(CN1CCN(CC(F)(F)C(F)F)CC1)NC1CCCC1 79311757 ONEJSFSGCATQEV-UHFFFAOYSA-N 325.350 1.563 0 40 EDAB CC(C)(COCc1ccccc1)C(=O)N1C[C@@H](CCO)[C@@H](CO)C1 1615585619 FJYLSGJFHBGEQX-IAGOWNOFSA-N 335.444 1.679 0 40 EDAB Cc1cc(O)ccc1CC(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 1616037450 LGEDUFRKGDMUFJ-FQEVSTJZSA-N 338.407 1.899 0 40 EDAB O=C1CN2CCN(C(=O)C3CCCC3)C[C@@H]2COc2ccccc2N1 1772594767 SIVWYOASVWSHIJ-OAHLLOKOSA-N 343.427 1.721 0 40 EDAB c1ccc(COC[C@H]2COCCOCCOCCOCCO2)cc1 5603351 UAXWCXRLGRPPPM-GOSISDBHSA-N 340.416 1.668 0 40 EDAB CCOC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 12086053 LRVGWMCYHJOPCC-KZULUSFZSA-N 346.383 1.469 0 40 EDAB COCCCNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12 12325223 VGAPQMJKFKRHMF-UHFFFAOYSA-N 328.416 1.929 0 40 EDAB Cc1ccc2[nH]cc(NC(=O)NCCCN3CCOCC3)c(=O)c2c1 13483919 LMARRKQSKQNCDR-UHFFFAOYSA-N 344.415 1.680 0 40 EDAB COc1cc(CCC(=O)N2CCC[C@H]2c2nc(C)cc(O)n2)on1 19118083 GCLNQYNUOKUTQU-LBPRGKRZSA-N 332.360 1.784 0 40 EDAB O=c1cc([C@H]2CCCN(CC3CCCC3)C2)nc(N2CCOCC2)[nH]1 19291979 QYDNTRZTFNPIKF-INIZCTEOSA-N 346.475 1.976 0 40 EDAB CN(C)CCn1nc([C@@H]2CCN(C(=O)C3CC3)C2)c2nccnc21 19583026 BPAJVIMMVHOBLH-CYBMUJFWSA-N 328.420 1.114 0 40 EDAB COC[C@H](O)CN1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 19593046 IZKSTZYVPZSGAC-QGZVFWFLSA-N 338.879 1.997 0 40 EDAB CN1CCCN(C(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 162074717 POYZOTYPKAZJJF-UHFFFAOYSA-N 347.312 1.947 0 40 EDAB CCCc1nnsc1C(=O)N1CC[C@H](Oc2ccc(OC)nn2)C1 225436935 SHTDDNSDGBXWEV-JTQLQIEISA-N 349.416 1.583 0 40 EDAB CNCC(=O)N1CCC[C@@H]1c1cc(Nc2ncccn2)nc(C)n1 257233764 GQQBVDNTSGLYGC-CYBMUJFWSA-N 327.392 1.202 0 40 EDAB COc1ccc(CN2CCO[C@@H](C(=O)N3CCSCC3)C2)cc1 1888844385 XMDLJBVJGJQRGG-MRXNPFEDSA-N 336.457 1.471 0 40 EDAB c1cnn(-c2cc(N3CCN(c4nccn5nccc45)CC3)ncn2)c1 1889205835 GVNBTNZCFPAOGZ-UHFFFAOYSA-N 347.386 1.032 0 40 EDAB Cc1[nH]c2c(C(=O)N(C)C[C@@H]3COC[C@@H](O)[C@H]3O)cccc2c1C 2037961728 TXNQKOFFNVRHBZ-VMGRFDJRSA-N 332.400 1.225 0 40 EDAB O=C(CC1(O)CCC1)N1C[C@@H]2Cc3nc(N4CCCC4)ncc3[C@@H]2C1 2056214974 HPHNXERHUNUTON-DZGCQCFKSA-N 342.443 1.480 0 40 EDAB Cc1nc(C(=O)NC[C@@H]2Cn3nnc(-c4ccoc4)c3CO2)cs1 1614931497 FATSDHKGBNSZKX-LLVKDONJSA-N 345.384 1.632 0 40 EDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)CCc4cncnc4)C[C@H]3O2)no1 1565542996 VENIQKQLRCXDHJ-RRFJBIMHSA-N 343.387 1.479 0 40 EDAB O=C(N1CCO[C@@]2(CCCN(c3nncs3)C2)C1)C1(F)CCC1 1565546089 SWPQIUQJSQIGGL-AWEZNQCLSA-N 340.424 1.628 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccsc2c1=O)NCc1ccc(F)cc1 423019 YHTGXMNBAZBMOR-UHFFFAOYSA-N 333.344 1.207 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(c2nnc(C(C)(C)C)s2)CC1 2086866014 GHCCDVQIXDDHMQ-GFCCVEGCSA-N 339.509 1.871 0 40 EDAB CN(C)c1cccc(C(=O)N[C@H]2CCc3nc(N(C)C)ncc3C2)c1 585150346 OMLNDNIHVAYDRS-HNNXBMFYSA-N 339.443 1.896 0 40 EDAB O=C(/C=C\c1cccs1)NCc1nc(-c2cc[nH]c(=O)c2)no1 225800908 NZQWVGSYDNCFGF-ARJAWSKDSA-N 328.353 1.816 0 40 EDAB CCOc1ncccc1CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 30307933 HIHLEODNLWHGRF-BLLLJJGKSA-N 335.429 1.551 0 40 EDAB O=C(NCCn1ccnc1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 40498548 BVALCRVAYULSOD-MRXNPFEDSA-N 338.411 1.541 0 40 EDAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 7949839 LTORRNXQGRHNTL-INIZCTEOSA-N 346.408 1.879 0 40 EDAB C[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)N1CCOCC1 40511121 GIRFLELPEOGFPW-GFCCVEGCSA-N 332.379 1.666 0 40 EDAB O=C1CN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CCN1 51380074 WPVMAWQPHOCKNB-SFHVURJKSA-N 333.407 1.605 0 40 EDAB CCOc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 3402706 CTVLFYXWKYGABY-UHFFFAOYSA-N 339.351 1.727 0 40 EDAB CC(=O)Nc1ccc(OCc2noc(C(=O)N3CCCC3)n2)cc1 20739904 UZHFISYWFCACFT-UHFFFAOYSA-N 330.344 1.843 0 40 EDAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 6326333 MCLJOCSDBDTAGW-UHFFFAOYSA-N 342.461 1.772 0 40 EDAB Cc1ccc(F)cc1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21 6679702 KWDJVECULSIQPW-UHFFFAOYSA-N 347.371 1.848 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3cc(C)ccc3C)N2N1 10152978 DOXPEIHCRKTVTF-ZDUSSCGKSA-N 327.388 1.558 0 40 EDAB COc1ccccc1N1C(=O)C[C@@H](N2CCCC[C@@H]2CCO)C1=O 8559275 POHZAGRWQWNMLR-UKRRQHHQSA-N 332.400 1.564 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O 21559187 DCCFKBXZJLOBHK-DYVFJYSZSA-N 336.363 1.424 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 46882103 QQWGVSQCGKOLKW-BZUAXINKSA-N 347.459 1.722 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCc1ccnc(-n2ccnc2C)c1 47012204 PNLCILLFWDHONW-UHFFFAOYSA-N 338.415 1.785 0 40 EDAB O=C(c1cc(N2CCOCC2)nc2ccccc12)N1CCOCC1 53214534 HTMSSTOHBILAIF-UHFFFAOYSA-N 327.384 1.544 0 40 EDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCNC(=O)C3CC3)c12 41904417 HTGWXWZEINPUSY-UHFFFAOYSA-N 341.415 1.410 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)NC1CCN(CC(F)F)CC1 61603446 RGHOJOSHWREDHS-UHFFFAOYSA-N 340.370 1.846 0 40 EDAB CCN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2F)CC1 57355101 NFMANGDLKHKNBS-MAUKXSAKSA-N 347.434 1.899 0 40 EDAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCCNS(=O)(=O)c1ccccc1 104363278 AIUZMXSCKOIXTI-XHSDSOJGSA-N 338.473 1.758 0 40 EDAB Cc1cccc(CN2CC[C@]3(CCCN([C@H]4CCOC4)C3)C2=O)n1 107788265 FQVZPLZOAIDEHU-HKUYNNGSSA-N 329.444 1.993 0 40 EDAB C[C@H](NC(=O)[C@H](C)N1CCN(C(=O)C2CC2)CC1)c1ccc(F)cc1 24593774 DYOSMDHHUIMFNL-KBPBESRZSA-N 347.434 1.946 0 40 EDAB COc1cc(C)c(CN(C)[C@@H](C)C(=O)NC(=O)NC2CC2)cc1OC 24803579 NIPXVYJXCBCTEF-LBPRGKRZSA-N 349.431 1.821 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NCC1(N2CCOCC2)CCCCC1 47793230 DVXPFUGSAOKQCZ-MRXNPFEDSA-N 349.479 1.606 0 40 EDAB NC(=O)c1nn(C[C@@H](O)c2ccc(F)cc2)c(=O)c2ccccc12 25044564 KUKIQDVRXNQXMY-CQSZACIVSA-N 327.315 1.368 0 40 EDAB O=C(Cn1cc(I)cn1)NCc1ccccc1 1431334 ZGRKHFGWPOEERZ-UHFFFAOYSA-N 341.152 1.804 0 40 EDAB CCc1noc(C)c1C(=O)NCc1cccc(OCC(=O)NC)c1 55782489 ZXTQZEAJFMVIPP-UHFFFAOYSA-N 331.372 1.600 0 40 EDAB CN(CC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)S(C)(=O)=O 55946102 QEHHNZJGWFYTII-DZGCQCFKSA-N 344.408 1.053 0 40 EDAB O=C(NCCCn1ccnc1)c1ccn(COc2ccccc2)n1 27971768 PHYPTGCDNDTNOS-UHFFFAOYSA-N 325.372 1.936 0 40 EDAB O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(=O)n(-c2ccc(F)cc2)n1 57553642 SORHKTKYAFLDEP-CYBMUJFWSA-N 342.374 1.338 0 40 EDAB CC(C)CN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)CC(C)C 26648023 BTDOKPOMBZHCIY-UHFFFAOYSA-N 336.436 1.250 0 40 EDAB O=C(CCc1nnc(-c2ccccc2)o1)NC[C@@H]1CCS(=O)(=O)C1 44720477 PDECRHYBUDENNU-LBPRGKRZSA-N 349.412 1.220 0 40 EDAB Cc1occc1C(=O)N1CCC(NC(=O)c2cnn(C)c2C)CC1 58228496 QMSCFMMPSFKGDS-UHFFFAOYSA-N 330.388 1.665 0 40 EDAB O=C(NCCNc1cnccn1)NC1CCN(c2ccccn2)CC1 44970654 OHLVAQYTYWZWJS-UHFFFAOYSA-N 341.419 1.252 0 40 EDAB CC[C@@H](CNC(=O)[C@H](C)n1cncn1)N1CCc2ccccc2C1 44912152 PKIABLAVNFXLOJ-YOEHRIQHSA-N 327.432 1.792 0 40 EDAB Cc1cc([C@@H]2CCCN2Cn2nnn(-c3cccs3)c2=O)on1 44979276 AAXPITVYQYVMGM-NSHDSACASA-N 332.389 1.582 0 40 EDAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)CN1CCOCC1 44940607 PNILFNLUHDNAQW-GFCCVEGCSA-N 342.871 1.951 0 40 EDAB CN(C)[C@@H](CNC(=O)NCCN1CCCCCC1=O)c1ccco1 44949335 FMGDPICMRXUBSZ-AWEZNQCLSA-N 336.436 1.584 0 40 EDAB O=C(NCCN1CCOCC1)NCc1ccnc(N2CCCCC2)c1 44966316 MDEXXMYEECGRPU-UHFFFAOYSA-N 347.463 1.203 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)cc1 58497151 BRAFEPFTXPXEPJ-UHFFFAOYSA-N 332.337 1.429 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC(C)C)c(C)c1 408616567 AGUXSUGQMMVHAB-UHFFFAOYSA-N 328.434 1.587 0 40 EDAB Cn1cc(CN2C[C@@H](c3ccccc3)OCC2(C)C)c(=O)n(C)c1=O 92973589 DOTPXRKJFBHQSW-INIZCTEOSA-N 343.427 1.436 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(CC(=O)Nc3ccncc3)CCO2)n1 69349902 KASVGQZYRSYXGS-MRXNPFEDSA-N 329.404 1.234 0 40 EDAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2C[C@@H]3[C@@H](C2)CN2CCCC[C@H]32)C1 110617159 FTBSGHCCYDCLDL-BRSBDYLESA-N 345.487 1.578 0 40 EDAB CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 64467634 GMTQKWDEJJZLJX-UHFFFAOYSA-N 340.426 1.420 0 40 EDAB NC(=O)COc1cccc(C(=O)N2CCC[C@@H](n3cccn3)C2)c1 69421386 NIGRAHARUNIOHV-CQSZACIVSA-N 328.372 1.225 0 40 EDAB C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)CCN1Cc1nccn1C 69455716 UBDHKQMGCRFFEP-CQSZACIVSA-N 327.432 1.225 0 40 EDAB O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)O)cc1 4200459 VMBCOSBUPKWBJQ-LBPRGKRZSA-N 347.396 1.807 0 40 EDAB C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)NC1CC1 6114336 WRPKAASICWCFOZ-LBPRGKRZSA-N 330.384 1.633 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)NCCN(C)C2CC2)CC1=O 65443661 DQTXPAWOQRVJGS-OAHLLOKOSA-N 329.444 1.812 0 40 EDAB CC(=O)c1cccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 14094205 WPBXZMFVXACLAM-HUUCEWRRSA-N 326.352 1.779 0 40 EDAB O=C(/C=C/c1cccnc1)NCC(=O)N1CCc2sccc2C1 65523728 VQYNNUDDXJFSLS-ONEGZZNKSA-N 327.409 1.857 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccncc1 14122986 DGALQJOPSSNRDP-UHFFFAOYSA-N 345.424 1.925 0 40 EDAB Cc1csc(=O)n1CC(=O)Nc1ccc(N2CCOCC2)cc1 5635763 KRUBCYCEYLZHBC-UHFFFAOYSA-N 333.413 1.694 0 40 EDAB COc1ccccc1/C(C)=C/C(=O)N1CCC2(CC1)NC(=O)NC2=O 66605736 XWMSJAHLINVWMN-VAWYXSNFSA-N 343.383 1.299 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C 67160435 FBOQMMDIKGBSOD-CYBMUJFWSA-N 341.452 1.807 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCOC[C@@H]2c2noc(C)n2)cc1 96000554 KOSGFEHIEDIHOL-CQSZACIVSA-N 337.401 1.703 0 40 EDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCC(C)C)[C@@H]4C2=O)no1 9305823 KLFYJWOZWHIGPW-MJXUCMMTSA-N 345.399 1.432 0 40 EDAB O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCCC1 9481927 HBZDGMGUMUXADN-HNNXBMFYSA-N 329.400 1.552 0 40 EDAB CC(=O)N(C)C1CCN(C(=O)c2cccc(-c3n[nH]c(C)n3)c2)CC1 83996398 SCTRTOWOFPWOEX-UHFFFAOYSA-N 341.415 1.863 0 40 EDAB CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cn(C)c(=O)n(C)c1=O 96429913 RSRXCWNMKDWRAJ-CQSZACIVSA-N 348.447 1.017 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@H](c2ccccc2)O1 71827196 AQWNOZUABOWUTI-FRFSOERESA-N 328.412 1.986 0 40 EDAB O=C(Cn1cnnn1)NCc1ccccc1Oc1ccccc1F 71884496 ZLDXYBDBHHEIHM-UHFFFAOYSA-N 327.319 1.921 0 40 EDAB C[C@H]1CN(C(=O)CCNCc2cnn(-c3ccccc3)c2)C[C@H](C)O1 71837108 PSAFQKOZJHAWGE-HOTGVXAUSA-N 342.443 1.988 0 40 EDAB COC(=O)N[C@H](C(=O)Nc1cccc(Cn2cncn2)c1)C(C)C 71888782 HENSTVXZBVVNTH-AWEZNQCLSA-N 331.376 1.646 0 40 EDAB NC(=O)COc1cccc(C(=O)N2CCC[C@H]2Cn2cccn2)c1 71866425 COVICKCYYARAQK-AWEZNQCLSA-N 328.372 1.052 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(Cl)s2)CC1 71881984 CSXAQZNLWWQGQF-NSHDSACASA-N 332.853 1.557 0 40 EDAB Cn1cc(S(=O)(=O)NCCN2CC[C@H](c3ccccc3)C2)cn1 75675355 DRBGQTXWOXLFLO-HNNXBMFYSA-N 334.445 1.188 0 40 EDAB CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)N[C@@H](C)CO 76023304 FMLOOGHVEQNOSR-QMMMGPOBSA-N 340.401 1.238 0 40 EDAB CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)c3cc[nH]n3)cc2)C1 72295460 IEZKDMCPHKTFBU-OAHLLOKOSA-N 341.415 1.828 0 40 EDAB O=C(CCNC(=O)NCCCCn1ccnc1)Nc1ccccc1 72282440 QYKWBDNUCBUJAH-UHFFFAOYSA-N 329.404 1.991 0 40 EDAB COCCn1cc(C(=O)N2CCO[C@@H](COC)C2)c2ccccc21 72295787 YDHXQYIMJJNCPJ-CQSZACIVSA-N 332.400 1.775 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCC[C@H](c4noc(C)n4)C3)c2n1 72232587 YLJOSZQIXKSEAH-LBPRGKRZSA-N 326.360 1.749 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)[C@H]3COc4ccccc4O3)C2)no1 72232015 AVJHRFFPYSVHIS-SWLSCSKDSA-N 329.356 1.924 0 40 EDAB Cc1ncc2c(n1)CN(CCNS(=O)(=O)c1ccccc1)CC2 72276648 XSXVUVNUZLTCFY-UHFFFAOYSA-N 332.429 1.122 0 40 EDAB CCn1nc(C)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O 76498087 WLOLZOJZNIPOJJ-JSGCOSHPSA-N 327.450 1.639 0 40 EDAB Cc1ccn(-c2ccc(N3CCC[C@@H](NC(=O)C(C)C)C3)nn2)n1 84248003 KNQGZWGFMHXPCY-CQSZACIVSA-N 328.420 1.712 0 40 EDAB Cc1cccc(C)c1CN1CCC(N2CCS(=O)(=O)CC2)CC1 97147489 ZFRWBNKBYAGKHV-UHFFFAOYSA-N 336.501 1.998 0 40 EDAB CN(CC(=O)NCC(F)(F)F)C(=O)C[C@@H]1OC(=O)c2ccccc21 77732037 JFORCYXKMHXQMV-NSHDSACASA-N 344.289 1.425 0 40 EDAB Cc1nn2c(=O)cc(CN3CCC(c4cnn(C)c4)CC3)nc2s1 97202974 JIRHBEPMVNPMIZ-UHFFFAOYSA-N 344.444 1.573 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(Cc3nc4c(F)cccc4[nH]3)C2)C1=O 84597384 LPUOUYLJNYALGC-KRWDZBQOSA-N 345.378 1.607 0 40 EDAB COc1c(C(=O)N2CCC[C@@H](C(=O)N3CCCCC3)C2)c(C)nn1C 95395656 OABMTWMJOIUYTM-CQSZACIVSA-N 348.447 1.602 0 40 EDAB CC(C)c1cc(CNS(=O)(=O)c2cc(Cl)cnc2N)on1 95433787 AMFNGZXRFRCAOU-UHFFFAOYSA-N 330.797 1.907 0 40 EDAB C[C@H](OCC1CC1)C(=O)N(C[C@H]1CN(C)CCO1)c1nccs1 95402145 HVEPWKCSINFKKU-GXTWGEPZSA-N 339.461 1.622 0 40 EDAB CC(=O)NCCNC(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1 95418913 RGJAISGQCCMWQS-HNNXBMFYSA-N 338.496 1.809 0 40 EDAB c1cc2nccc(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)c2cn1 75094572 BMLMIRFAICDZHY-KSSFIOAISA-N 328.416 1.779 0 40 EDAB COCCOc1ccc(S(=O)(=O)Nc2cc(C)nn2C)cc1 66247850 TVPHGQHITLWXET-UHFFFAOYSA-N 325.390 1.555 0 40 EDAB COc1ccccc1Nc1nc(N)nc(CN2CCO[C@H](C)C2)n1 25837584 IRQIBZZZRCRNNG-LLVKDONJSA-N 330.392 1.427 0 40 EDAB Cc1nc(C(=O)N2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)cs1 306136668 PZMHSZPHHXRCSC-XJKSGUPXSA-N 339.461 1.403 0 40 EDAB N[C@H](C(=O)O)[C@@H](N)C(=O)OCC1c2ccccc2-c2ccccc21 64219214 HFJZGKNPUGRWBV-JKSUJKDBSA-N 326.352 1.081 0 40 EDAB O=C(c1cnccn1)N1CCC(n2nnc(-c3ccccc3)n2)CC1 72346567 OHBGYYLMPHEFHI-UHFFFAOYSA-N 335.371 1.607 0 40 EDAB COc1cccc([C@@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCCO3)c1 72227682 BLOSDCBOTFCRPR-DLBZAZTESA-N 326.352 1.882 0 40 EDAB Nc1nc(N2CCSCC2)ncc1S(=O)(=O)c1ccccc1 71771836 ZQKJYVYOOVGESM-UHFFFAOYSA-N 336.442 1.445 0 40 EDAB COc1ccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 36182838 ZAGYUDBIKHEOGZ-UHFFFAOYSA-N 328.375 1.306 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(CC)cc1 218493605 IFRYPRVOFPOTPI-OFQRWUPVSA-N 325.430 1.268 0 40 EDAB NC(=O)[C@H]1CCCN1C(=O)CCCOc1ccc2c(c1)CCC(=O)N2 79046950 KWVBTVCMVBHIPV-OAHLLOKOSA-N 345.399 1.207 0 40 EDAB CC[C@H](C(=O)N1[C@H](C(=O)O)COC12CCN(C)CC2)c1ccccc1 71980013 ZTTQJFDDYPUIGD-HOTGVXAUSA-N 346.427 1.914 0 40 EDAB CCCC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 13633210 QCOXYZFUHMUEIC-DDNMXHNFSA-N 330.377 1.726 0 40 EDAB biogenic O=C(O)C1(n2cccn2)CCN(c2ncnc3sccc23)CC1 72411095 QIECBFXTOLYWNA-UHFFFAOYSA-N 329.385 1.968 0 40 EDAB O=C(NCc1ccc(CN2CCS(=O)CC2)cc1)c1cncs1 521396416 VPNKLGGJRWXVIQ-UHFFFAOYSA-N 349.481 1.637 0 40 EDAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 573688287 HBMFOEHNISUAIO-UONOGXRCSA-N 329.400 1.550 0 40 EDAB C[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O)c1ccc2c(c1)OCO2 225791715 GYMUAMRCBNXAOE-VOUTZNEASA-N 331.324 1.247 0 40 EDAB Cc1cccc(C)c1-n1nnnc1C[S@](=O)CC(=O)NCC1CC1 83954612 XSSWPKHHWFLLMB-XMMPIXPASA-N 347.444 1.054 0 40 EDAB C[C@H]1CN(C(=O)N[C@H](C)CCc2cccn2C)CCS(=O)(=O)C1 192188936 MBTWZLKJJWOUCA-UONOGXRCSA-N 341.477 1.422 0 40 EDAB O=C(Cn1cc(COc2cccc(F)c2)nn1)NCc1cccnc1 227169792 LFLHGHNRUMGTSB-UHFFFAOYSA-N 341.346 1.708 0 40 EDAB CC(=O)Nc1cccc(OCc2ncc(CCC(=O)O)c(=O)[nH]2)c1 223443368 MQEDBNQTVKOAKK-UHFFFAOYSA-N 331.328 1.325 0 40 EDAB Cc1ccc([C@@H]2[C@@H](C(=O)NC[C@H]3CCCO3)OCC(=O)N2C)cc1 226603165 QGRGYXDGDLDYJY-OIISXLGYSA-N 332.400 1.189 0 40 EDAB O=C(O)C[C@H]1CCCN(C(=O)NCc2ncn(-c3ccccc3)n2)C1 571384267 YPEHNLCTGZTQFZ-CYBMUJFWSA-N 343.387 1.664 0 40 EDAB COc1ncccc1CN1CCN(c2ccc3nnc(C)n3n2)CC1 193335890 GQVNHFJIJYNXQT-UHFFFAOYSA-N 339.403 1.159 0 40 EDAB CN(C)C(=O)CO[C@H]1CN(Cc2cccc(F)c2)[C@@H]2CCCO[C@H]12 96187056 ATPODVPCWHYNND-RYRKJORJSA-N 336.407 1.662 0 40 EDAB Cc1ccccc1CS(=O)(=O)c1nnc(N2CCOCC2)s1 96403890 WWWXWUIXXPJWHN-UHFFFAOYSA-N 339.442 1.657 0 40 EDAB CCC(=O)N1CCOC[C@@]2(CC[C@H](CN(C)Cc3ccco3)O2)C1 96063511 ARSBHJOKYXRHHA-SJLPKXTDSA-N 336.432 1.898 0 40 EDAB c1cnc(N2CCC[C@@]3(CN(Cc4cccnc4)CCO3)C2)nc1 96074825 IUELBAITMGHMMK-GOSISDBHSA-N 325.416 1.743 0 40 EDAB CN(C)C(=O)C[C@@H]1C[C@H]2CN(CCOCc3ccccc3)C[C@H]2O1 96219953 XAQWNHDCXXGIDE-OKZBNKHCSA-N 332.444 1.771 0 40 EDAB COCCN1CC2(CCN(Cc3ccccn3)CC2)[C@H](COC)C1=O 96209155 UBJIXGHXEKLORV-QGZVFWFLSA-N 347.459 1.415 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1C 96193168 FJDIIBOCKKFEHK-UHFFFAOYSA-N 338.385 1.191 0 40 EDAB O=C(C1CCCC1)N1CCO[C@@]2(COCCN(c3ncccn3)C2)C1 96076723 QNYRVHTXMVJQEN-SFHVURJKSA-N 346.431 1.101 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@@H](n3ccnn3)C2)sc1C 331847358 QGIUDETVLLSHAU-GFCCVEGCSA-N 326.447 1.982 0 40 EDAB O=C(c1cnccn1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 96202266 NZOBGUAFUMISBN-SFHVURJKSA-N 339.399 1.241 0 40 EDAB Cn1ccnc1[C@H](NC(=O)c1cccc2nccn12)C1CCOCC1 583620526 JXVNDORBHRZTLG-MRXNPFEDSA-N 339.399 1.966 0 40 EDAB Cc1ccoc1C(=O)N1Cc2nccn2C[C@@H](CN2CCCC2=O)C1 96188451 FJDHKYBFJNQUPF-AWEZNQCLSA-N 342.399 1.679 0 40 EDAB Cc1cn2nc(N[C@@H]3CCN(C(=O)Cc4ccoc4)C3)ccc2n1 583823143 LUZUKFGOJSYCBL-CQSZACIVSA-N 325.372 1.886 0 40 EDAB COc1cc(N2CC3(C[C@@H](OCc4ccncc4)CCO3)C2)ncn1 247925968 ZNPHKHPFSOXIGI-HNNXBMFYSA-N 342.399 1.835 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccccn1)Cc1ccccc1 243228200 KLJKWGNHOLLQDL-UHFFFAOYSA-N 333.413 1.160 0 40 EDAB COc1ccc([C@H]2CN(S(=O)(=O)c3cn[nH]c3)CCN2C)cc1 257239493 HPMUSEHXUYJQHI-OAHLLOKOSA-N 336.417 1.096 0 40 EDAB Cc1cc(-c2nccn2C)nc([C@H]2CCN(C(=O)c3cncnc3)C2)n1 257227283 FOMULKQZFHCWIA-ZDUSSCGKSA-N 349.398 1.605 0 40 EDAB Cc1ccn(CCC(=O)NCc2cnc([C@H]3CCCCO3)nc2)n1 257316898 VHMKGWZVFOZPJN-OAHLLOKOSA-N 329.404 1.930 0 40 EDAB CN(C)c1nccnc1[C@@H]1CN(C(=O)CC2(O)CCCCC2)CCO1 257328412 XFNUYCHNZWSUOY-AWEZNQCLSA-N 348.447 1.528 0 40 EDAB CCOC1CC2(CCN(C(=O)NC[C@@H](c3cnn(C)c3)N(C)C)C2)C1 585082806 MVVCRWBFSONJDM-PQUAAJSLSA-N 349.479 1.623 0 40 EDAB Cc1cn2c3c(O)nc(=O)n(C)c3nc2n1CCCCCC(=O)O 585158454 YFFSLVZEMFGFQL-UHFFFAOYSA-N 333.348 1.042 0 40 EDAB O=C(CCN1CCC[C@H](CN2CC[C@@H](O)C2)C1)Nc1cccc(F)c1 585133431 HZXAFGCPRXTORZ-MAUKXSAKSA-N 349.450 1.933 0 40 EDAB COC(=O)[C@H](Cc1ccccc1O)NC(=O)c1ncn(C(C)(C)C)n1 585127984 OIBDSYVESIUZKE-LBPRGKRZSA-N 346.387 1.253 0 40 EDAB CN(C)c1cc([C@@H]2CCCN2C(=O)c2cc(O)nc(O)n2)ccn1 257271844 MZZQVIFSFYHBAN-LBPRGKRZSA-N 329.360 1.326 0 40 EDAB O=C(c1cncnc1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257203869 ARZMZZAVXAOFTF-IBGZPJMESA-N 338.411 1.112 0 40 EDAB O=C(CCc1ccccc1F)N1CC[C@@](O)(CN2CCOCC2)C1 257220871 DMNRUGJRNQVQJH-GOSISDBHSA-N 336.407 1.054 0 40 EDAB NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC=C(c3ccccc3)C2)O1 252482979 DRMLAQIHJNKOFC-HOTGVXAUSA-N 329.400 1.518 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2Cc2ccc3c(c2)OCCO3)n1 257284936 PEYHWKFXGONCQO-HNNXBMFYSA-N 343.383 1.835 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(C(=O)[C@H]2CCCOC2)CC1 257203794 ARQJYRXVEMHAIZ-HNNXBMFYSA-N 346.431 1.245 0 40 EDAB COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2CC(N)=O)cc1 257275098 NNXAGYQZLVGPFD-MPGHIAIKSA-N 331.416 1.355 0 40 EDAB COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@]1(CO)O5 253504855 MBCREQDZNVPNRN-UAOJZALGSA-N 341.407 1.787 0 40 EDAB biogenic,in-vitro C[S@](=O)C1(CNC(=O)N2CCN(c3ccccc3)CC2)CCC1 281455706 GHDWNLYYRWTVBU-QHCPKHFHSA-N 335.473 1.819 0 40 EDAB COC(=O)c1ccc2c(S(=O)(=O)N3CCC(C)=C(C)C3)ncn2c1 1615001904 JXUSVQWETXCTTA-UHFFFAOYSA-N 349.412 1.852 0 40 EDAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[C@@](C)(N(C)C)C2)cc1 1615588458 QFKCWFPTZHSGQX-FUHWJXTLSA-N 335.448 1.411 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575405059 REFGPEYJCQLCJA-ZFWWWQNUSA-N 334.441 1.721 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2cccc3cccnc23)C[C@@H]1OC 585279808 ZADKHSLUUNDZMM-ZFWWWQNUSA-N 327.384 1.458 0 40 EDAB CN(C)CCN1CCN(C(=O)COc2ccc(F)cc2F)CC1 45296343 CGTBICBJAGQIQQ-UHFFFAOYSA-N 327.375 1.049 0 40 EDAB COC(=O)c1cc(CNC(=O)N[C@H](C)CN2CCCC2=O)oc1C 57015648 DUXPNJYPIYSMKL-SNVBAGLBSA-N 337.376 1.185 0 40 EDAB O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)c1ccncc1 69438830 FFTUVJNBCMFJOK-UHFFFAOYSA-N 328.376 1.328 0 40 EDAB CNC(=O)NC(=O)CCN(CC(C)C)C[C@H](O)c1ccc(F)cc1 70019662 GSFYVVNTBGVTCS-HNNXBMFYSA-N 339.411 1.663 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 70015806 CGXWWBWQZBTYPJ-CYBMUJFWSA-N 332.379 1.150 0 40 EDAB O=C(NCc1csc(NC(=O)[C@H]2CCCO2)n1)[C@@H]1CCCO1 75138451 JRHKNJXAJFMPJH-WDEREUQCSA-N 325.390 1.056 0 40 EDAB Cc1cc(S(=O)(=O)NCCN[C@@H](C)c2cnccn2)c(C)s1 90580307 FEZHOJIFNZKETE-NSHDSACASA-N 340.474 1.784 0 40 EDAB CCCc1noc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)n1 96443310 RIQHYNMUXDBWMB-NSHDSACASA-N 338.433 1.863 0 40 EDAB COc1cccc(OC)c1C(=O)NC[C@@H]1COC[C@@H](OC)[C@H]1OC 1615130577 RAYVCBMSERIMKS-XFJVYGCCSA-N 339.388 1.110 0 40 EDAB COc1cc(CCNS(=O)(=O)CCO[C@@H]2CCOC2)ccc1C 1616033671 AJPUWVHDDIBTNU-OAHLLOKOSA-N 343.445 1.271 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@H]1C[C@H]1C)n2CC 5113243 SNIPDBZSWYNCGT-MNOVXSKESA-N 348.403 1.406 0 40 EDAB CCCCC[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1C/C=C/CC(=O)O 5978179 RJHNVFKNIJQTQF-HERKRDLFSA-N 342.432 1.989 0 40 EDAB CCn1c(N2CCC(C(=O)NCCN(C)C)CC2)nc2ccccc21 12116391 BJQFTMHDJVQKCY-UHFFFAOYSA-N 343.475 1.950 0 40 EDAB COc1cccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4ccn(C)n4)C[C@@H]32)c1 12121201 ASIAHKMSWACXBZ-AZOIQLNYSA-N 341.411 1.799 0 40 EDAB COc1ccc2c(=O)c(NC(=O)NCCCn3ccnc3)c[nH]c2c1 13566018 UVHICAVMKMCELE-UHFFFAOYSA-N 341.371 1.945 0 40 EDAB C[C@H](C(=O)NCCCN(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 13671682 YEACFEYFIPPWIL-GFCCVEGCSA-N 345.440 1.048 0 40 EDAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C(C)C)nc(O)c2C1 19085683 OFKBFQJXPXSTMU-HNNXBMFYSA-N 346.431 1.796 0 40 EDAB CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(C)=O)CC2 19501414 YFBMNPKDKYLLNL-OAHLLOKOSA-N 346.431 1.528 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@H](n3ccnn3)C2)cc1C 206935176 UZVAUWIACSSHMB-ZDUSSCGKSA-N 336.417 1.621 0 40 EDAB COc1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)ccc1F 159304978 WSBFVQMGNQINNX-CQSZACIVSA-N 336.363 1.344 0 40 EDAB COc1cccc(S(=O)(=O)NCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 387231 OIFNRMAENJOCDO-STQMWFEESA-N 340.445 1.478 0 40 EDAB O=C(c1ccncc1)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888864296 KFPKCWFGLQWXTQ-UHFFFAOYSA-N 343.362 1.556 0 40 EDAB CC(C)(C)c1ccc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)nn1 1889103091 DZUFKPGKCFMMIQ-GFCCVEGCSA-N 338.477 1.825 0 40 EDAB CN(c1ncc(Cl)cn1)C1CCN(Cc2nnc3n2CCC3)CC1 1849478607 XPYODVNZMNUCRJ-UHFFFAOYSA-N 347.854 1.769 0 40 EDAB O=C(NCCCN1CCCC1=O)c1ccc(OC2CCOCC2)nc1 244909714 ASKRCBWPMCSEBB-UHFFFAOYSA-N 347.415 1.382 0 40 EDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccccc1Cl 2037971203 BROXPCGONDOTQW-ZSYWTGECSA-N 347.842 1.850 0 40 EDAB CCn1cc(C(=O)N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)cn1 2037984761 MXMJKOXRPGQCRF-KRWDZBQOSA-N 334.420 1.003 0 40 EDAB Cn1nc(-c2ccncc2)c2c1CCN(C(=O)C1CC(O)C1)CC2 1565552531 YPHBMTJZJAUBOJ-UHFFFAOYSA-N 326.400 1.180 0 40 EDAB COc1cccc(-c2nn(CC(N)=O)c(=O)c3nc(C)sc23)c1 8955865 RQZOHPVYIMYMTJ-UHFFFAOYSA-N 330.369 1.322 0 40 EDAB O=S(=O)(c1ccccc1)N1CCN(c2ncc(Cl)cn2)CC1 267066900 HUYXDGCHLGGCQZ-UHFFFAOYSA-N 338.820 1.641 0 40 EDAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(Cc2cnn(C)c2)C1 2055751406 UDETYTZCTDJTGG-LJQANCHMSA-N 341.459 1.955 0 40 EDAB Cn1nnnc1SCC(=O)NCCOc1cccc2cccnc12 38680979 NNDONXHCQOFIRS-UHFFFAOYSA-N 344.400 1.046 0 40 EDAB CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c1 42383919 JGQHLVKLOMLYFO-UHFFFAOYSA-N 337.445 1.003 0 40 EDAB NC(=O)c1cscc1NC(=O)CCS(=O)(=O)c1ccccc1 618256049 DRSVFMZJXMCGIY-UHFFFAOYSA-N 338.410 1.650 0 40 EDAB Cc1nc(C)c(F)c(N2CCN(c3ccc4nccn4n3)CC2)n1 2298065704 IWBDLVIDMGMHFM-UHFFFAOYSA-N 327.367 1.602 0 40 EDAB Cc1cnc2n(c1=O)[C@H](CC(=O)Nc1ccccc1C(N)=O)CS2 14032354 KLINMPKFIYBQAL-SNVBAGLBSA-N 344.396 1.326 0 40 EDAB O=C(NCC[C@H](O)c1ccco1)C(=O)NCc1ccccc1Cl 77112363 YSEVZBNCPAYCDW-ZDUSSCGKSA-N 336.775 1.789 0 40 EDAB COC(=O)Nc1ccccc1S(=O)(=O)N1CCC[C@H]1C(=O)OC 4941994 XYSDHMSMVVARCL-NSHDSACASA-N 342.373 1.191 0 40 EDAB Cc1noc(C)c1CC(=O)NCc1cccnc1N1CCOCC1 30311703 BEZGQTSQMUBDPF-UHFFFAOYSA-N 330.388 1.382 0 40 EDAB O=C(Cc1ccccc1)NCC(=O)N1CCO[C@H](c2ccccc2)C1 30767539 DSWHIXACPJEAIL-SFHVURJKSA-N 338.407 1.945 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Cl)c2c(c1)OCCCO2 40468009 RECZHBSDHJKICS-JTQLQIEISA-N 345.804 1.418 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1cccnc1 40477293 YBWJIQDSRBNTOT-LLVKDONJSA-N 334.401 1.954 0 40 EDAB CCCCN1C(=O)c2ccc(C(=O)NCCCC(=O)OC)cc2C1=O 36620002 XATUSYBLWGKCJH-UHFFFAOYSA-N 346.383 1.766 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)[C@@H]1C[C@@H]1c1ccccc1 68493662 DJZKQRBOYPXRNE-HZPDHXFCSA-N 336.457 1.626 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(C2CCCC2)C1 219851 QERHPBSITCGDKX-ZDUSSCGKSA-N 330.384 1.823 0 40 EDAB Cn1cnc(CNC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1 91789915 VQDSUXSFZJLAMS-ZDUSSCGKSA-N 337.330 1.376 0 40 EDAB NC(=O)COCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 89783285 QROYTHPJZUWEKZ-VXGBXAGGSA-N 341.205 1.171 0 40 EDAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccncc2)n2ncnc2N1 4140017 XTWMKLORIOIULM-HNNXBMFYSA-N 333.355 1.996 0 40 EDAB COCCn1c(SCC(=O)N2CCCC2)nnc1-c1ccco1 4161450 WGYOLRAZBMXYLI-UHFFFAOYSA-N 336.417 1.899 0 40 EDAB COCCCN[C@@H](CC(=O)Nc1cc(Cl)ccc1OC)C(=O)O 6579827 BJZHSGNOQDDUMB-LBPRGKRZSA-N 344.795 1.757 0 40 EDAB COC[C@@H](C)NC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1 69600475 IDHWVROKCFTEJO-CYBMUJFWSA-N 336.413 1.798 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1cc(=O)n3c(C)csc3n1)CC2 69697648 NPUHASZMTQOEGY-LLVKDONJSA-N 344.444 1.323 0 40 EDAB O=C(c1cncn1-c1ccccc1)N1CCN(c2ncccn2)CC1 21782567 DWWKDGQSWKVUHG-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB Cc1cc(S(=O)(=O)NCCC[n+]2cc[nH]c2)c(C)cc1Cl 101370769 IJYIHKVWARMNQZ-UHFFFAOYSA-O 328.845 1.941 0 40 EDAB COCCN1CC[C@]2(CCCN(C(=O)c3cccnc3)CC2)C1=O 108526260 WHZHXUQYHQMGKE-GOSISDBHSA-N 331.416 1.573 0 40 EDAB CNC(=O)NC(=O)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 68831078 IVPHUXKQZWLNRU-UHFFFAOYSA-N 348.230 1.633 0 40 EDAB CC(C)(C)c1noc(CCCC(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 41810932 DVYPZMHHDQKURK-NSHDSACASA-N 343.449 1.241 0 40 EDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc(F)cc(F)c2)C1 57319568 LVHWKOZGYIAOMO-NEPJUHHUSA-N 340.370 1.968 0 40 EDAB O=C(NC1CC1)[C@H]1CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 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336.461 1.828 0 40 EDAB CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1 65562974 DTELZHWSEINYDW-CYBMUJFWSA-N 346.449 1.756 0 40 EDAB COc1ccc(OC)c([C@H](O)CN2CCN(c3cnccn3)CC2)c1 65522666 XAKIVYXKZQJFDE-MRXNPFEDSA-N 344.415 1.349 0 40 EDAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccncc3)CC2)cc1 14125399 XVKGDMYKRFSSEC-UHFFFAOYSA-N 338.411 1.787 0 40 EDAB CCC[C@@H](C)CC(=O)NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 69810991 ZINIOAUNWQXMDU-LLVKDONJSA-N 347.458 1.721 0 40 EDAB CC(C)Cc1noc(COC(=O)Cc2csc(-c3nc[nH]n3)n2)n1 69808647 WVVDKTQBESWDQY-UHFFFAOYSA-N 348.388 1.796 0 40 EDAB CNC(=O)c1cc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)ccc1F 69811313 AAOUWTLSFUWEOC-JKSUJKDBSA-N 343.358 1.965 0 40 EDAB O=C(NCc1ccncc1)NC1CCN(CCc2ccncc2)CC1 69844280 GRQIFIOUWFTPIH-UHFFFAOYSA-N 339.443 1.983 0 40 EDAB CCOCCCNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 4703696 ADMGYZHACDDAHQ-UHFFFAOYSA-N 332.397 1.135 0 40 EDAB COCc1ccccc1C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69920152 ZZWOWRPADCQCEZ-QGZVFWFLSA-N 334.460 1.998 0 40 EDAB 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CCC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(C)c2)s1 224794032 QMBKFTAGGLQFGP-UHFFFAOYSA-N 326.403 1.996 0 40 EDAB C[C@@H](O)CNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 192445017 SOMQKFBQHPGEAJ-GHMZBOCLSA-N 342.237 1.708 0 40 EDAB CCC[C@H](Cc1ccccc1)NC(=O)N1CCN2C(=O)NC[C@H]2C1 133462296 FUXWAYMARHMVJH-CVEARBPZSA-N 330.432 1.817 0 40 EDAB Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1ccnn1C 225596344 DUPWHWWYPBBNLM-HNNXBMFYSA-N 328.372 1.590 0 40 EDAB Cn1cccc(C(=O)NC[C@@](O)(c2ccco2)c2cccs2)c1=O 225585364 ZATZRJPROZWLMB-QGZVFWFLSA-N 344.392 1.706 0 40 EDAB CN1CCS(=O)(=O)[C@@H]2CCN(C(=O)Nc3ccccc3)CC[C@@H]21 96251513 XJMUFAPLANUHHW-LSDHHAIUSA-N 337.445 1.412 0 40 EDAB O=C(Cc1ccco1)N1CC[C@]2(CCC[C@@H](CN3CCOCC3)O2)C1 96209073 HTLJKGIAQBREEZ-PKOBYXMFSA-N 348.443 1.695 0 40 EDAB Cn1cc2c(n1)[C@H](COCC1CC1)CN(C(=O)Cc1ccccn1)C2 96198023 XXUZTMDNXPJZKT-INIZCTEOSA-N 340.427 1.910 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1CCOC1 96439423 CFPMQYVGGVMSPG-IAGOWNOFSA-N 346.475 1.533 0 40 EDAB 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CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(CCOCC(F)(F)F)C1 583618793 LNPPYOCSFRJUHF-MNOVXSKESA-N 345.325 1.465 0 40 EDAB CCOc1ccc([C@@H](N)c2n[nH]c(Cn3cccn3)n2)cc1OCC 95534555 YKLWCHHTJMWCLL-MRXNPFEDSA-N 342.403 1.895 0 40 EDAB C[C@](NC(=O)[C@@H]1CCCOC1)(C(N)=O)c1cccc(C(F)(F)F)c1 96454544 XBQSHDODSQLCKQ-MEBBXXQBSA-N 344.333 1.949 0 40 EDAB Cn1ccnc1C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 96446919 DXUBYABKPUCHQR-UHFFFAOYSA-N 340.427 1.631 0 40 EDAB O=C(c1cccnc1)N1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 247873749 MYHMPLAJWZHMPC-FUHWJXTLSA-N 342.399 1.369 0 40 EDAB Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)CCCn2cccc2)cn1 585087598 QOKSHYBSAOHJFG-MRXNPFEDSA-N 343.431 1.423 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccco1 585134571 ALNHNVTXAMAHRL-SCVCMEIPSA-N 328.390 1.566 0 40 EDAB CCCn1/c(=N\S(=O)(=O)c2cnn(C)c2)n(CC)c2ccccc21 585114508 GBIINYBJUNXOQU-VLGSPTGOSA-N 347.444 1.896 0 40 EDAB O=C(CCc1cccnc1)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257255377 KHENOVFFLOIIEY-ZHALLVOQSA-N 331.460 1.898 0 40 EDAB 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C[C@@H]1CC(=O)n2c(s/c(=C/c3ccc(C(F)(F)F)cc3)c2=O)=N1 16608401 HGWCHEXJAYZWKQ-XAPLUZPNSA-N 340.326 1.809 0 40 EDAB CC(=O)N[C@@]12CN(Cc3cnc(C)s3)CC[C@@H]1CN(C(C)=O)C2 19713610 UDVDPFRJWCFEIQ-GDBMZVCRSA-N 336.461 1.010 0 40 EDAB Cc1c(C(=O)NC[C@@H]2CCc3ccccc32)nnn1C1CCNCC1 157671502 VKGGDGQVZJDRCG-HNNXBMFYSA-N 339.443 1.971 0 40 EDAB O=C(NCc1cc(F)ccc1F)N1CCN(c2cnccn2)CC1 104805151 NWDHLZOMCUUUSB-UHFFFAOYSA-N 333.342 1.787 0 40 EDAB O=C(CN1C(=O)CCC1=O)N1CCS[C@@H](c2cccs2)CC1 219498653 OGNRMDHDYNIHMC-GFCCVEGCSA-N 338.454 1.904 0 40 EDAB O=C(O)[C@@H](c1cccc(Cl)c1Cl)N1CCS(=O)(=O)CC1 519613446 XSVLAJIGTHVQGV-LLVKDONJSA-N 338.212 1.850 0 40 EDAB C[C@@]1(O)CCN(Cc2cscn2)C[C@H]1n1cnc2c(N)ncnc21 643914395 QHWSZBUANITTSN-IAQYHMDHSA-N 345.432 1.063 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]2C)c1 585129448 JXDFAGABGALTRF-GRYCIOLGSA-N 328.438 1.092 0 40 EDAB CN(C)C(=O)c1ccc(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)cc1 2037983842 ICQXPEGJLOXLTL-IRXDYDNUSA-N 345.443 1.068 0 40 EDAB CN(C)C(=O)COCc1noc2c1CN(C(=O)C1(F)CCC1)CC2 1565547065 JWURMVFSYREFHO-UHFFFAOYSA-N 339.367 1.056 0 40 EDAB COc1cc(C(=O)N2CCCn3cnc(C(=O)NC(C)C)c3C2)on1 1565555172 VFJBAEZZMNEYPM-UHFFFAOYSA-N 347.375 1.064 0 40 EDAB CC1(C)C[C@H](CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C(=O)O1 376865 HQTDQPTUQLOSRW-JTQLQIEISA-N 340.401 1.394 0 40 EDAB COc1ccc(N2C[C@H](NC(=O)NC[C@@H]3CCCO3)CC2=O)cc1 4373473 CLPNZAMTKWBZMG-DOMZBBRYSA-N 333.388 1.279 0 40 EDAB COc1ccccc1C(=O)NCc1nnnn1-c1ccc(F)c(F)c1 9570849 HKSJLFGKRPTQPS-UHFFFAOYSA-N 345.309 1.879 0 40 EDAB CC[C@@H](C)n1c(C)cn2c3c(=O)n(CC(C)=O)c(=O)n(C)c3nc12 10233544 DKIOMEVYMSETSK-SECBINFHSA-N 331.376 1.018 0 40 EDAB Cc1ccc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)nn1 1849112372 LEYUFBMVWHVUTE-UHFFFAOYSA-N 326.448 1.720 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCOC[C@@]23CC(C(=O)NC(C)C)=NO3)o1 2055793295 LRTUNQQBNZIYLO-YOEHRIQHSA-N 349.387 1.146 0 40 EDAB CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2N1C(C)=O 2055729861 UYXQZGSKIXDSNO-VBNZEHGJSA-N 337.370 1.132 0 40 EDAB O=C(c1ccc(Cl)s1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775965681 JQRJDQIGZHRZRT-UHFFFAOYSA-N 340.767 1.820 0 40 EDAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)COc1ccc(C(C)C)cc1 225632182 LVTMDLQLLNDPAH-CVEARBPZSA-N 335.400 1.978 0 40 EDAB O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2C(=O)CNC2=O)C1 575610930 PMITWMUACRFYOV-SECBINFHSA-N 342.182 1.760 0 40 EDAB COCCOc1ccc(C(=O)N2CC(n3cc(C4CC4)nn3)C2)cc1 585391153 HTIVOHLLOVSQJJ-UHFFFAOYSA-N 342.399 1.878 0 40 EDAB Brc1ccc(-c2noc(CN3CCNCC3)n2)s1 71298365 KFYJDVXMJVJEFX-UHFFFAOYSA-N 329.223 1.966 0 40 EDAB COC(=O)c1ccccc1NCC(=O)Nc1ccc(C(N)=O)cc1 30283318 VSAQDSPUQQKOTP-UHFFFAOYSA-N 327.340 1.623 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1CC(=O)N1CCc2ccccc21 30705116 TYBYXKNLKGIEAH-LJQANCHMSA-N 349.434 1.749 0 40 EDAB CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cn2)CC1 20375246 SDKHJJSJNUYNHZ-UHFFFAOYSA-N 340.383 1.814 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 8074630 SSRQXUYJPRBSRR-HNNXBMFYSA-N 333.407 1.733 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)N1CCO[C@@H]2CCCC[C@@H]21 40553825 FTNCHDSLKPBRSO-QWHCGFSZSA-N 333.413 1.628 0 40 EDAB C[C@H](OC(=O)c1ccc(OCC(N)=O)cc1)C(=O)c1ccccc1 11574749 BVHHGLPMKWXFTJ-LBPRGKRZSA-N 327.336 1.979 0 40 EDAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc(F)c2)n1 2809753 LDBBFCAQELALIQ-SDSIWUNFSA-N 341.342 1.737 0 40 EDAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O 3010515 IJAOJHNCSROCQF-NEPJUHHUSA-N 327.425 1.402 0 40 EDAB CCN(C)[C@H](C(=O)N1CCCN(C(=O)OC)CC1)c1ccccc1 69618856 KGKUHNYVSJZGKB-INIZCTEOSA-N 333.432 1.980 0 40 EDAB CN(C)c1ccc(-c2noc(C(=O)NCC(=O)N3CCCC3)n2)cc1 20745855 OREJKPSBRPZXMW-UHFFFAOYSA-N 343.387 1.155 0 40 EDAB CCOc1ccc(NC(=O)C[C@@H](NC[C@@H]2CCCO2)C(=O)O)cc1 4318873 UGKFLDMVKLTRSI-LSDHHAIUSA-N 336.388 1.636 0 40 EDAB COc1cc2ncn(CC(=O)NC3CCCCC3)c(=O)c2cc1OC 20732122 OOLQCVNGVRZTGA-UHFFFAOYSA-N 345.399 1.863 0 40 EDAB NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCO[C@@H](c2ccccc2)C1 29535643 IKKIVJMROFAIFB-IAGOWNOFSA-N 339.395 1.996 0 40 EDAB Cc1ncncc1C(=O)N1CCCN(Cc2ncc(Cl)n2C)CC1 69626710 KQYKYYWLSUHYAM-UHFFFAOYSA-N 348.838 1.520 0 40 EDAB CC(C)CCC[C@@H](C)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 7985226 UESXOJUQDGDWDN-CYBMUJFWSA-N 339.461 1.815 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)NCCc2ccccc2)n1 69617157 FNKJVESKFCLKGM-SFHVURJKSA-N 341.459 1.718 0 40 EDAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCCN2CCC[C@@H]2C1 69658383 VHBZARJAENZNHZ-WMLDXEAASA-N 345.418 1.875 0 40 EDAB Cc1ccc(OCc2nc(C(=O)N3CC[C@@H](C(N)=O)C3)cs2)cc1 41128546 QGCHBYFJFDWSRY-GFCCVEGCSA-N 345.424 1.978 0 40 EDAB COc1cccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)c1 32859760 FDIWMTCYGAKEOF-UHFFFAOYSA-N 329.356 1.211 0 40 EDAB Cc1nn(C)c2cnn(Cc3ccc(C(=O)NC[C@H]4CCCO4)o3)c12 57279677 VGFYQGSJRRWRBL-GFCCVEGCSA-N 343.387 1.628 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1ccc(-n2cccn2)cc1 21620325 XDWHULWHHMDYHV-MRXNPFEDSA-N 328.397 1.800 0 40 EDAB Cc1noc(C)c1CC(=O)NS(=O)(=O)N1CCc2ccccc2C1 69698274 MBBTVCCLDNWGTH-UHFFFAOYSA-N 349.412 1.253 0 40 EDAB O=C(NC[C@@H]1CCOC1)c1ccc(=O)n(CCOc2ccccc2)n1 41371935 MFFAZWUAIPQDTG-AWEZNQCLSA-N 343.383 1.089 0 40 EDAB CC[C@H](CNC(=O)c1ccc(O)nn1)N1CCc2ccccc2C1 29908064 QOEWFZYMGQVXMJ-OAHLLOKOSA-N 326.400 1.749 0 40 EDAB CN1CCN(CCNC(=O)CCSc2ccccc2F)CC1 53718171 FBHCQAZQWVBNFR-UHFFFAOYSA-N 325.453 1.672 0 40 EDAB O=C(NCCC(=O)N1CCCc2ccccc21)c1ccc[nH]c1=O 53857361 AZDVQVOGJWNWLP-UHFFFAOYSA-N 325.368 1.474 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCc2csc(Br)c2)C1 46941314 FPEQWCVSNOEQKM-QMMMGPOBSA-N 332.223 1.527 0 40 EDAB COCCOc1ncccc1C(=O)NCCN1CCc2ccccc21 54097220 KJIXLKVXFZBSQK-UHFFFAOYSA-N 341.411 1.899 0 40 EDAB COC(=O)c1ccc2c(c1)s/c(=N\C(=O)CSC(C)=O)n2C 100825261 XLDDFOFEVHFGTR-PFONDFGASA-N 338.410 1.733 0 40 EDAB C[C@@H](C(=O)OCC(=O)c1cccn1C)N1C(=O)c2ccccc2C1=O 23420045 YBJWGJPXVCWCBO-NSHDSACASA-N 340.335 1.436 0 40 EDAB O=C1[C@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@]1(CO)C=C[C@H]2O1 101452832 DAWJZTJNMMPJLJ-BLTAXRJOSA-N 339.269 1.511 0 40 EDAB CCC(CC)[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)N1CCCC1 42869320 CBCLCMNEFDNHDQ-GJZGRUSLSA-N 345.509 1.373 0 40 EDAB Cc1ccccc1OCC(=O)NCCCn1ncc2c1c(C)nn2C 57279032 SSZRPTNBNKQPRM-UHFFFAOYSA-N 341.415 1.972 0 40 EDAB Cc1cc(C)n2nc(C(=O)NC[C@H]3COc4ccccc4O3)nc2n1 24858155 ACOZCXXJFUIDNX-LBPRGKRZSA-N 339.355 1.311 0 40 EDAB COc1ccccc1[C@H](CNc1ccc2nnnn2n1)N1CCCC1 24903467 CABCVPCEOKIYBC-AWEZNQCLSA-N 339.403 1.777 0 40 EDAB COc1cccc(C(N)=O)c1OCC(=O)N(C)Cc1ccsc1 25046544 FAIPGOXFBGGHRS-UHFFFAOYSA-N 334.397 1.893 0 40 EDAB C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 106656770 GADKHTYZANLQKE-PCBIJLKTSA-N 336.457 1.817 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 25154628 QBSSMQBQNUWODX-UHFFFAOYSA-N 331.353 1.512 0 40 EDAB O=C(/C=C/c1ccc(Br)o1)NCCCN1CCOCC1 25514702 XLUVCBOJTSJKTB-HWKANZROSA-N 343.221 1.894 0 40 EDAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1cnn(C)c1 56272530 KQOWCKYNBZJTMG-ZNFPLGDCSA-N 327.384 1.724 0 40 EDAB C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 108464027 VWHXDHJTASDCPH-XBLNEZIDSA-N 342.439 1.943 0 40 EDAB Cc1c(OCC(=O)NCC(=O)O)ccc2c3c(c(=O)oc12)CCC3 2091456 NQQWFMZWZYTAID-UHFFFAOYSA-N 331.324 1.170 0 40 EDAB biogenic Cc1c(C(=O)Nc2nccn(C)c2=O)cnn1-c1ccccc1F 174437243 LJPJOMJAQWKTJA-UHFFFAOYSA-N 327.319 1.666 0 40 EDAB CCN(C[C@H]1CCOC1)S(=O)(=O)c1ccc(C(=O)NC)cc1 58174355 OUKUHVFVTGFVMS-GFCCVEGCSA-N 326.418 1.093 0 40 EDAB CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccccc1OC(F)(F)F 44891586 SQAQXPKBTJMSLD-LLVKDONJSA-N 333.310 1.894 0 40 EDAB CN1CCN(C(=O)CN2CCSC2=O)c2nc3ccccc3nc21 44895383 BUSBPZMRRKESKU-UHFFFAOYSA-N 343.412 1.581 0 40 EDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1cnn(C)c1 58293101 OZHULSBATPXGCO-UHFFFAOYSA-N 338.371 1.445 0 40 EDAB CN1C(=O)Cc2cc(-c3csc(CN4C(=O)CCC4=O)n3)ccc21 58229920 PGQMWYVSWWHDDB-UHFFFAOYSA-N 341.392 1.978 0 40 EDAB CN(Cc1ccncc1)C(=O)CN1C(=O)CCOc2ccccc21 44916188 MFVWVGANRUABKB-UHFFFAOYSA-N 325.368 1.856 0 40 EDAB Cc1ccc([C@@H]2N=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)cc1 10385429 XLLIIBRBAQPDGW-MRXNPFEDSA-N 339.399 1.521 0 40 EDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1c(F)cccc1F 58315404 FLFLQZBCDNNGGI-LLVKDONJSA-N 346.399 1.090 0 40 EDAB Cc1cc(C)n2nc(C(=O)NC[C@@H](CC(C)C)N3CCCC3)nc2n1 48131356 NWDZREFOXSIUSR-OAHLLOKOSA-N 344.463 1.981 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCC(F)(F)F 3320800 OSHPHWOVQFXCFJ-CQSZACIVSA-N 341.289 1.058 0 40 EDAB Cc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12782715 OTOJLQINSTWWPS-ZDUSSCGKSA-N 349.412 1.099 0 40 EDAB Cc1ccc2nc(COC(=O)Cn3c(C)csc3=O)cc(=O)n2c1 12845689 QIUQESONAOKIJY-UHFFFAOYSA-N 345.380 1.278 0 40 EDAB COc1ccc(CNC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)cc1 24045812 UQDZWKZVDKCDSF-UHFFFAOYSA-N 333.413 1.999 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C2=O 3595656 JFRUBESCECOBPT-QFYYESIMSA-N 338.408 1.111 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1OC 3619932 CVSXYQVAVVHGHT-UHFFFAOYSA-N 340.335 1.939 0 40 EDAB COc1ccccc1[C@@H](C)N1CCN(CCN2CCOC2=O)CC1 69702149 ZCAVVTYSXLSLDI-OAHLLOKOSA-N 333.432 1.826 0 40 EDAB CC(C)[C@H](NC(=O)CN1CCN(C[C@H](C)O)CC1)c1cccs1 70004362 QVKCXTIFFVMTJR-YOEHRIQHSA-N 339.505 1.560 0 40 EDAB O=C(Cc1coc2cc3c(cc12)CCC3)NCCN1C(=O)CCC1=O 69740607 DZIGHONPPLJQML-UHFFFAOYSA-N 340.379 1.729 0 40 EDAB C[C@@H](C(=O)N1CCCCCC1)N1CCN(Cc2nccn2C)CC1 69348464 WEQSGWPPCKSDIS-INIZCTEOSA-N 333.480 1.329 0 40 EDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)Cc1ccc(F)c(F)c1 69380958 ZKKXVINZXTZPJR-UHFFFAOYSA-N 346.337 1.810 0 40 EDAB O=C1CC[C@@H](C(=O)OCc2nn(-c3ccccc3)c3c2CCC3)CN1 63972588 JYRXVLSOOFMXQP-CYBMUJFWSA-N 339.395 1.930 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)Cc1cn2cccc(C)c2n1 69492755 LGWVULWJQTZHKG-UHFFFAOYSA-N 338.367 1.931 0 40 EDAB COC(=O)c1ccccc1NC(=O)CN1CCC(N2CCCC2)CC1 17117960 UYAIRMFUGPKMPK-UHFFFAOYSA-N 345.443 1.972 0 40 EDAB O=C(NCCNc1cnccn1)C1CCN(C(=O)c2ccco2)CC1 65412636 ONGOOCMSKQQTNF-UHFFFAOYSA-N 343.387 1.150 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@@H](O)COc1ccccc1)CC2 65458308 HWIHYGXAOVSNNH-CQSZACIVSA-N 328.416 1.341 0 40 EDAB O=C(NCc1nc(C2CC2)no1)Nc1ccc(N2CCOCC2)nc1 65415369 YIOGWOGZSJLUSF-UHFFFAOYSA-N 344.375 1.500 0 40 EDAB Cc1cc(CN2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)no1 65552568 UIXGTOUFPHNEFM-QGZVFWFLSA-N 349.406 1.680 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CN2CCOc3ccccc3C2)o1 65615178 YDSVZXZVTZHBKQ-UHFFFAOYSA-N 336.413 1.925 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CC(=O)NC3CCCCC3)CC2)n1 65609652 WCFKKGFYWFPWLG-CYBMUJFWSA-N 335.452 1.506 0 40 EDAB NS(=O)(=O)c1cnc(N2CC=C(c3ccc(O)cc3)CC2)s1 69533651 GMYDISLDRNTZRE-UHFFFAOYSA-N 337.426 1.790 0 40 EDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(S(C)(=O)=O)CCCC1 69538670 CPJIUCLKTOIOEU-CABCVRRESA-N 342.505 1.819 0 40 EDAB CC1(C)NC(=O)N(CCCC(=O)Nc2nnc(C3CC3)s2)C1=O 21292635 NJTMAEYDMRGCQX-UHFFFAOYSA-N 337.405 1.465 0 40 EDAB COc1ccc(S(=O)(=O)NCCOCC(F)(F)F)cc1C 4653291 XGNSHVINKPZDLK-UHFFFAOYSA-N 327.324 1.861 0 40 EDAB Cc1nn2c(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nnc2nc1O 69561324 PBLIGAOEKNOZMG-DTORHVGOSA-N 336.421 1.415 0 40 EDAB CCOC(=O)NCCNC(=O)Nc1cc(S(C)(=O)=O)ccc1C 69557778 SLRRVIDLHLODIR-UHFFFAOYSA-N 343.405 1.266 0 40 EDAB C[C@H]1CN(C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CCO1 66561988 LCSIAVHYCYLWGM-AWEZNQCLSA-N 335.423 1.949 0 40 EDAB CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CCC12OCCO2 309644306 WKWRESCBHQIRLF-OAHLLOKOSA-N 349.383 1.951 0 40 EDAB Cn1cnc(CNC(=O)N2CCCN(CC3CCCCC3)CC2)n1 92377005 MMHVNJDLHZDWKT-UHFFFAOYSA-N 334.468 1.613 0 40 EDAB CC(C)c1noc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)n1 68163026 BHHHAPSWZPELIY-UHFFFAOYSA-N 342.355 1.148 0 40 EDAB O=C(COc1ccc2ccccc2c1)OCC(=O)N1CCNC1=O 7707160 HWJJXTXKSSSYKD-UHFFFAOYSA-N 328.324 1.314 0 40 EDAB C[C@H]1CCc2sc(C(=O)O[C@H](C)C(=O)N3CCNC3=O)cc2C1 7864866 MGLUANGBMTUAQU-VHSXEESVSA-N 336.413 1.970 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)CCC3)cc1 7889094 MOYDLQJORJVKKW-UHFFFAOYSA-N 344.436 1.795 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)N1CCC[C@@H](n2cccn2)C1 71185414 QGUVUBVULAWOCY-CQSZACIVSA-N 340.383 1.472 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@H](c3ccc(F)cc3)C2)C1 89954620 CTYVGDJOQNNWGK-FUHWJXTLSA-N 347.434 1.742 0 40 EDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)Nc1ccc3c(c1)NC(=O)CO3)C2 96003937 XOYDUCYHJWTTCL-SNVBAGLBSA-N 326.356 1.793 0 40 EDAB Cc1ccccc1OC[C@H](O)CNC[C@@H]1CCCN1c1cccnn1 75584868 RVICEUFZWLOLOW-DLBZAZTESA-N 342.443 1.783 0 40 EDAB O=C(c1ccc(N2CCCC2)nc1)N1CCC[C@H](n2cncn2)C1 75602627 WGTUTDBTWIWRHO-HNNXBMFYSA-N 326.404 1.751 0 40 EDAB Cc1n[nH]c([C@H]2CN(CC(=O)NCc3sccc3C)CCO2)n1 76048598 PZEBSMXTULXOJC-GFCCVEGCSA-N 335.433 1.173 0 40 EDAB O=C(c1noc2c1CCCC2)N1CCC(CN2CCOCC2)CC1 71820976 YNDLJAUXFNSKIG-UHFFFAOYSA-N 333.432 1.738 0 40 EDAB CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(F)cc1 71886091 DLOXBHWBWKZRAO-UHFFFAOYSA-N 344.390 1.750 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCC(Nc2cccnn2)CC1 71863374 CZYHSKIDSHGUOI-UHFFFAOYSA-N 326.404 1.654 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)c1ccc3c(c1)nnn3C)C2 71860241 JSLNEHHHGSUEMB-UHFFFAOYSA-N 337.387 1.023 0 40 EDAB O=C(COc1cccc(N2CCCC2=O)c1)N1CCN(C2CC2)CC1 71836756 GTDHVYGLNOTJMM-UHFFFAOYSA-N 343.427 1.499 0 40 EDAB COC(=O)CN(CC(=O)Nc1ccc(C)c(C)c1)Cc1cnn(C)c1 71899846 AQWMUWSIBYOUFH-UHFFFAOYSA-N 344.415 1.651 0 40 EDAB CCN1C[C@H](C(=O)N2CCN(Cc3ccccc3OC)CC2)CC1=O 76227345 MBHFCRDUUTVIBN-MRXNPFEDSA-N 345.443 1.208 0 40 EDAB CCC(=O)N1CCCN([C@H](C)C(=O)NCc2cccc(OC)c2)CC1 77389867 QUDQCYUVPDTDBW-OAHLLOKOSA-N 347.459 1.644 0 40 EDAB C[C@@H]([C@@H](C)N(C)C(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O 84139591 HCDTWKOJJKAXQK-MNOVXSKESA-N 342.417 1.378 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCC[C@@H](c4noc(C)n4)C3)c2n1 72232588 YLJOSZQIXKSEAH-GFCCVEGCSA-N 326.360 1.749 0 40 EDAB Cc1ccc2oc(C(=O)NCCOCCS(C)(=O)=O)cc2c1 72295488 ABWPLFLIGVNIMT-UHFFFAOYSA-N 325.386 1.532 0 40 EDAB Cc1ccn(-c2ccc(C(=O)N3CCc4nnc(N)cc4C3)cc2)n1 84247994 NLOYHQSICOOICQ-UHFFFAOYSA-N 334.383 1.751 0 40 EDAB O=C(NC(CO)CO)c1csc(-c2cccc(C(F)(F)F)c2)n1 97113056 CPBCNOOCTHBUBB-UHFFFAOYSA-N 346.330 1.912 0 40 EDAB O=C(Nc1ccc(Cc2nnn[nH]2)cc1)c1ccccc1-n1ccnn1 97107381 QULGPNXMTPZJKY-UHFFFAOYSA-N 346.354 1.624 0 40 EDAB C[C@H](NC(=O)c1ccccc1-n1ccnn1)[C@H](O)Cc1ccccc1 97107462 QIIIFWXLQXRVFB-KBXCAEBGSA-N 336.395 1.989 0 40 EDAB C[C@@H](C(=O)Nc1ccc(N(C)C)cn1)N1C(=O)c2ccccc2C1=O 78878071 DYZCOYGUUORPIK-NSHDSACASA-N 338.367 1.771 0 40 EDAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 97212941 UWMDEEKKXZCADH-NILFDRSVSA-N 330.359 1.782 0 40 EDAB CC(C)[C@H]1C(=O)NCCN1C(=O)c1cc2c([nH]c1=O)CCCCC2 84456516 QMOYFAANIOGNRO-HNNXBMFYSA-N 331.416 1.240 0 40 EDAB C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(CNS(C)(=O)=O)o1 84762961 UCNLZQLUSVUCBG-MEDUHNTESA-N 348.424 1.992 0 40 EDAB O=C(N[C@H]1CCc2[nH]ncc2C1)N[C@H]1CC(=O)N(c2ccccc2)C1 95421775 FNOQVPPRMRSCNZ-KBPBESRZSA-N 339.399 1.372 0 40 EDAB C[C@H](NCC(=O)NC(=O)Nc1ccccc1)c1nnc2n1CCCC2 95941235 GBDKHOTUXFOLBC-LBPRGKRZSA-N 342.403 1.613 0 40 EDAB Cc1cccc2nc(CN3CCC[C@H](Cn4ccnn4)C3)cc(=O)n12 95973128 QTSMFXQSIBKWQQ-HNNXBMFYSA-N 338.415 1.507 0 40 EDAB Cn1cnc2cc(C(=O)Oc3ccc(NS(C)(=O)=O)cc3)cnc21 95945386 NEMXFMIMWFNFQK-UHFFFAOYSA-N 346.368 1.559 0 40 EDAB COC(=O)CCN(C(=O)CCS(C)(=O)=O)c1ccccc1C 95940957 ORLORNYNRGJPME-UHFFFAOYSA-N 327.402 1.326 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CN2CCC(n3ccnc3)CC2)o1 95955989 WLPJJUBZOUPRHI-UHFFFAOYSA-N 338.433 1.564 0 40 EDAB C[C@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)NC(C)(C)C 89448484 JGVJWQFTGCSQOD-VHSXEESVSA-N 347.385 1.796 0 40 EDAB C[C@@]1(c2cccnc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O 75094295 UTKIBJWIUCOBGQ-INIZCTEOSA-N 344.396 1.227 0 40 EDAB C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCc2nnc(N(C)C)cc2C1 75129143 BSLKDJOBUVAOFO-UKRRQHHQSA-N 348.447 1.402 0 40 EDAB C[C@@H](NC(=O)c1cnns1)[C@H]1CN(Cc2ccccc2)CCO1 75145768 CWXIVYOXNXRNKR-TZMCWYRMSA-N 332.429 1.557 0 40 EDAB COc1ccccc1[C@H](CNC(=O)c1ccc(C)[nH]c1=O)N(C)C 75118539 PYOBTKPNXHPTTH-HNNXBMFYSA-N 329.400 1.725 0 40 EDAB O=C([C@H]1Cc2ccccc2S1)N1CCC(Cc2nn[nH]n2)CC1 1548803512 NYGYPECDVOHFGV-CQSZACIVSA-N 329.429 1.698 0 40 EDAB COc1ccc(CCN2C(=O)[C@H](C)NC2=S)cc1OC(F)F 65585633 DSYVHKNHDPVOSL-QMMMGPOBSA-N 330.356 1.944 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccccc3)C[C@H]1C2 306131704 KNHVCEJYACAJCD-HZPDHXFCSA-N 339.443 1.721 0 40 EDAB COc1ccc(NC(=O)Cn2cnc3c(C)n(C)nc3c2=O)cc1 32647434 KXRXDVQIIVRWCE-UHFFFAOYSA-N 327.344 1.086 0 40 EDAB COc1ccccc1NC(=O)CN1CCC(C(=O)NC2CC2)CC1 55915630 YMYITGVDBLXGAL-UHFFFAOYSA-N 331.416 1.624 0 40 EDAB Cc1cnc2cc(C(=O)N3C[C@@H](N4CCOCC4)C[C@H]3C)ccn12 516936692 LAPUYZFTNMSGLZ-CJNGLKHVSA-N 328.416 1.578 0 40 EDAB CC[C@H](CCNS(=O)(=O)c1cn(C)nc1C)n1cc(Cl)cn1 36614945 XSMAYYHHKMTIJY-GFCCVEGCSA-N 345.856 1.898 0 40 EDAB C[C@]1(Br)C[C@H]1C(=O)N1CCC[C@H](CN2CCOCC2)C1 529293130 OGBFWXVGXXXIMF-IPYPFGDCSA-N 345.281 1.731 0 40 EDAB Nc1ccnc(CNC(=O)c2cccn(Cc3ccccc3)c2=O)n1 532900415 KHUITOQOJVZJFO-UHFFFAOYSA-N 335.367 1.199 0 40 EDAB CC(=O)Nc1nc(C2CCN(S(=O)(=O)N(C)C)CC2)cs1 72368732 NCQXLYRTRQQNER-UHFFFAOYSA-N 332.451 1.087 0 40 EDAB O=C(O)C1(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 563625151 LCDPLLPCCQVWNI-UHFFFAOYSA-N 338.385 1.274 0 40 EDAB CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CO)C(=O)O 218194849 LGOUXUNGDMLODC-CKYFFXLPSA-N 349.202 1.023 0 40 EDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 218524405 GPAMHLUBMHNDQF-FGTMMUONSA-N 330.453 1.899 0 40 EDAB COc1cccc(CCNC(=O)CN2CCC[C@H](c3ccn[nH]3)C2)c1 72270734 XKCQCHGPLXGRFW-INIZCTEOSA-N 342.443 1.957 0 40 EDAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CC1 217442894 IBRNCTLTICDZHP-VIFPVBQESA-N 328.390 1.272 0 40 EDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1F 71980172 GGDCNUZAQKMKSN-CQSZACIVSA-N 336.363 1.563 0 40 EDAB O=C(COc1ccc(Br)cc1F)N1CCCNCC1 43404104 JBDQUGINOKKOOS-UHFFFAOYSA-N 331.185 1.789 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N[C@H](Cc1ccccc1)C(=O)O 16043159 KLNRMQTVVCFJFN-CQSZACIVSA-N 342.351 1.910 0 40 EDAB biogenic CC(C)(C)CNC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 226060453 TVVJSFQZDFMQDE-UHFFFAOYSA-N 330.425 1.750 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NC(C)(C)CC(C)(C)C)s1 225109424 JZVDSBYDNNBLCG-UHFFFAOYSA-N 334.467 1.990 0 40 EDAB COc1ccc(CN2C(=O)C(=O)N(CC(=O)C(C)(C)C)C2=O)cc1 48325947 YZUZBTCIXPWLSF-UHFFFAOYSA-N 332.356 1.601 0 40 EDAB CC1(C)CN(CCNS(=O)(=O)Cc2c(F)cccc2F)CCO1 97103197 HWHLJYSYQZWYPS-UHFFFAOYSA-N 348.415 1.495 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96159409 HETJMTXOEUSMRY-GOSISDBHSA-N 325.416 1.440 0 40 EDAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1 97096102 MYLNVKXYGMIJAA-SJLPKXTDSA-N 343.471 1.976 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cccnc3)C2)no1 96108511 BCIJEKGUYKJGPR-QAPCUYQASA-N 342.399 1.256 0 40 EDAB CN(C)C(=O)COCc1cncc2c1CCN(C[C@@H]1CCOC1)C2 96189389 GISQCAPUOAKJJJ-AWEZNQCLSA-N 333.432 1.081 0 40 EDAB Cc1ccc(Cl)c(OC[C@@H](O)Cn2cnc([S@](C)=O)n2)c1 97375797 ZAYGKKVMVPTUMW-CHNSCGDPSA-N 329.809 1.417 0 40 EDAB O=C(Cn1cccn1)Nc1cccc(CNc2ncnc3[nH]cnc23)c1 91455726 LDQRHJSFPNYYBM-UHFFFAOYSA-N 348.370 1.800 0 40 EDAB CC(C)(C)C(=O)[C@](Cl)(I)S(C)(=O)=O 96518256 HOULQYVLKVYARV-ZETCQYMHSA-N 338.594 1.974 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)c1C 96487175 BBVVFVIZVPUWLC-CZUORRHYSA-N 341.411 1.861 0 40 EDAB Cc1ccc(N2CC[C@@H](N3CCN(C[C@@H]4CCOC4)CC3)C2=O)cc1 96455420 OHPDADSIUKMPAS-PKOBYXMFSA-N 343.471 1.754 0 40 EDAB CC(C)c1noc(CCNC(=O)C(=O)Nc2cc(F)ccc2F)n1 96413591 NAOHAXIBYSVNKV-UHFFFAOYSA-N 338.314 1.769 0 40 EDAB Cc1ccc(CN2C[C@H]3CCN(C(=O)c4cnccn4)C[C@H]3C2)o1 96246240 GLYBXLJQNWIVJM-HUUCEWRRSA-N 326.400 1.972 0 40 EDAB COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1nc(C)n(C)n1)C2 578856406 BBNXLBCJGBWYTH-UHFFFAOYSA-N 345.403 2.337 0 40 EDAB CCc1c[nH]c(S(=O)(=O)CC(=O)N[C@@H](C)c2cccs2)n1 96474354 CNMAASNEYIEEQQ-VIFPVBQESA-N 327.431 1.685 0 40 EDAB Cn1cc([C@H]2COC3(CCN(C(=O)c4cccnc4)CC3)C2)cn1 96073058 JLXYTMZYHXCLIE-OAHLLOKOSA-N 326.400 1.994 0 40 EDAB Cc1noc(C[C@@H]2CO[C@@H]3CN(C(=O)Cc4ccsc4)C[C@H]23)n1 96219030 WMBBBLOWADIRJM-MGPQQGTHSA-N 333.413 1.698 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12)c1ccno1 96185940 IMPBREJSDUEEIH-UMVBOHGHSA-N 333.413 1.898 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1CN(Cc2ccoc2)C[C@H]2OCC[C@H]21 96038905 XBFSQUYDJQCCKQ-RCCFBDPRSA-N 341.411 1.828 0 40 EDAB CNS(=O)(=O)CC(=O)NC[C@@H](C)c1cccc(C(F)(F)F)c1 97227452 OPGILDHGCRABJO-SECBINFHSA-N 338.351 1.474 0 40 EDAB Cc1nc(CN2CC[C@H]3C[C@H](C(=O)NCC4CC4)O[C@H]3C2)cs1 96043147 AXIODRLSPNYJOZ-IMJJTQAJSA-N 335.473 1.957 0 40 EDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)C1CCOCC1 96045386 HLNMPDJVDNQCCJ-OAHLLOKOSA-N 334.420 1.187 0 40 EDAB O=C(C1CCOCC1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 247838769 DSJAUPKHBITNTF-AWEZNQCLSA-N 334.441 1.974 0 40 EDAB O=C(NC[C@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1)c1ccno1 247493814 NPGMRKHUVRRUMW-LLVKDONJSA-N 347.350 1.019 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)CCn2ccnc2)n1 257220854 DMLRIXMQTGDOAT-INIZCTEOSA-N 342.403 1.063 0 40 EDAB CON1CCC(C(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 585089497 RUUAKMNEKMRXJK-UHFFFAOYSA-N 331.416 1.468 0 40 EDAB O=C(c1cncnc1)N1CCOC[C@@H](Cc2ccc3[nH]ncc3c2)C1 257280350 OKMHXVBOKPDEND-AWEZNQCLSA-N 337.383 1.684 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCCN23)C1 585122077 MIODZXHAJMHIIG-ZACQAIPSSA-N 333.476 1.768 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2 257275143 NOBODCFULZOVJE-QGZVFWFLSA-N 331.460 1.835 0 40 EDAB CNCCOc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)cc1 257311507 UJUVLIMTUBAAGZ-HKUYNNGSSA-N 348.443 1.695 0 40 EDAB O=C(Cn1cncn1)N(c1ccccc1)[C@@H]1COC2(CCNCC2)C1 257273394 NGJLJZLVYKLMOI-INIZCTEOSA-N 341.415 1.222 0 40 EDAB Cc1cccc(N2CCC[C@@H](NS(=O)(=O)c3cn(C)cn3)C2)n1 257239320 HOUAMFJYHXYRDR-CYBMUJFWSA-N 335.433 1.071 0 40 EDAB CCOc1ncccc1C(=O)N1CCC[C@@H](c2ccnc(O)n2)C1 257308732 TXXBDGMCZWCJNA-GFCCVEGCSA-N 328.372 1.996 0 40 EDAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)C(=O)Nc1ccon1 253471443 CQEWSNWMHWBVBI-HNNXBMFYSA-N 347.352 1.320 0 40 EDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(C(=O)c2ccncn2)C3)n1 253476801 BLBDQEAXBSQBTR-CYBMUJFWSA-N 341.371 1.028 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)c3cccnc3C)CCO2)ncn1 257293247 QORXGJDHNATCEH-MRXNPFEDSA-N 326.400 1.962 0 40 EDAB CNC(=O)NC1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 282864756 YWSOGFHVWAUVJT-UHFFFAOYSA-N 337.323 1.007 0 40 EDAB CNC(=O)c1cccnc1N1CCC(c2nnc3n2CCC3)CC1 608079833 CFFDVVJPNQQGRR-UHFFFAOYSA-N 326.404 1.363 0 40 EDAB Cc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H]1C[C@@H](C)O)S2(=O)=O 1615550167 QNKIDCZOXCHKQL-IVMMDQJWSA-N 337.441 1.455 0 40 EDAB O[C@H](CNc1cc(N2CCOCC2)ncn1)COc1ccccc1 605433543 XEQDFOAUFXWPKV-CQSZACIVSA-N 330.388 1.165 0 40 EDAB CC(C)Oc1c(F)cc(NC(=O)NCCS(C)(=O)=O)cc1F 390833530 IWGRGUNNKOURKR-UHFFFAOYSA-N 336.360 1.918 0 40 EDAB O=C(CC1CC1)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 575406111 VXCCZSVMBCVEIO-OAHLLOKOSA-N 332.404 1.511 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)C1CCC1 575402656 DRZSPLNGYGWYKW-CQSZACIVSA-N 344.477 1.122 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4nnsc4C)C[C@@H]3C2)cs1 585107569 FDIHYYFNGDAHRS-RYUDHWBXSA-N 349.485 1.815 0 40 EDAB O=C(NCC1CC1)[C@@H]1CO[C@@H]2CN(C(=O)Cc3ccccc3)C[C@@H]21 585108394 FFWARBRFRCUDOD-BRWVUGGUSA-N 328.412 1.229 0 40 EDAB CN(Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCc2ccnnc2)[C@@H]1O 585280408 HWQDUSCEQMJAED-KURKYZTESA-N 340.427 1.364 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)N(C)C 46034981 WXKZKVSKASDEJV-ZDUSSCGKSA-N 330.425 1.915 0 40 EDAB CN(C)c1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cn1 56250122 RBRSDICQRFLEKZ-UHFFFAOYSA-N 331.445 1.562 0 40 EDAB CCN1CCN(C(=O)c2cccn(Cc3cccc(C)c3)c2=O)CC1 63650165 SAPWYTQOAQYJOE-UHFFFAOYSA-N 339.439 1.983 0 40 EDAB CN(C)Cc1ccccc1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 103129069 YEXVVDRBGHQBEE-HUUCEWRRSA-N 341.411 1.638 0 40 EDAB Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnc2onc(C)c2c1 81073841 KDJJYKGDIVFCHC-LBPRGKRZSA-N 348.388 1.245 0 40 EDAB CC(C)OC(=O)C(=O)NCCOC(=O)Nc1ccc(Cl)cc1 5633283 YNHYCQDTSFHHKB-UHFFFAOYSA-N 328.752 1.956 0 40 EDAB CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccccn2)CC3)CC1 12117866 CYRBYMHBXMGQHW-UHFFFAOYSA-N 339.443 1.960 0 40 EDAB O=C(/C=C/S(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCNC1=O 14000487 BYVATSSQPFYYKU-YPUOHESYSA-N 342.804 1.022 0 40 EDAB C[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)N1CCCC1 19456457 HLQBKKIAFJWDAP-NSHDSACASA-N 344.381 1.991 0 40 EDAB CCCn1nc(CC(=O)N(C)CCN(C)C)c2ccccc2c1=O 19525830 YXPSQIOVOOOFJX-UHFFFAOYSA-N 330.432 1.369 0 40 EDAB CC(=O)N[C@@]12CCN(C(=O)Cc3ccc(F)cc3)C[C@@H]1CN(C)C2 19711672 SZXQIPMCBVPMPX-MAUKXSAKSA-N 333.407 1.037 0 40 EDAB O=C(COc1ccccc1F)NCc1ccc(N2CCOCC2)nc1 11127513 KSWJQWDUYLASFQ-UHFFFAOYSA-N 345.374 1.753 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(c2ncc(Cl)cc2F)C1)C1CC1 1889103098 KZTHJWPQWZWWJL-SNVBAGLBSA-N 333.816 1.925 0 40 EDAB COC(=O)CCCN(C)C(=O)c1nn(-c2ccccc2)cc1OC 32278363 LAFAMVJTHUYSGN-UHFFFAOYSA-N 331.372 1.906 0 40 EDAB CN1C(=O)CC[C@H]1c1nc(CNC(=O)COc2ccccc2)no1 1775964167 UYKJXZXXUSQDLP-LBPRGKRZSA-N 330.344 1.058 0 40 EDAB biogenic,in-vitro O=C([C@H]1CCOC1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1776008020 SWQZDIIKQMHOFF-AWEZNQCLSA-N 325.368 1.330 0 40 EDAB O=C(NCCC(=O)N1CCCC1)c1csc(-c2ncccn2)n1 40554211 VGIQMLDWENRADL-UHFFFAOYSA-N 331.401 1.342 0 40 EDAB COCCNC(=O)[C@]12C[C@@H]1CCN2C(=O)Nc1ccc(F)c(F)c1 2056224902 FBEMRGBLVUQPLE-QFYYESIMSA-N 339.342 1.724 0 40 EDAB Cn1c(=O)n(C)c2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 2087026226 XXQZKVWOUSBWDD-UHFFFAOYSA-N 342.378 1.133 0 40 EDAB Cc1ccn2c(=O)nc(SCC(=O)N3CCCCCC3)nc2c1 4503757 VHCFEYDOEFDKRV-UHFFFAOYSA-N 332.429 1.893 0 40 EDAB O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1cc(F)ccc1F 4941492 DGUIMKAIDVLJOF-NSHDSACASA-N 340.326 1.705 0 40 EDAB CN1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 5195470 IOTXYZXKSJVWDN-CYBMUJFWSA-N 336.823 1.402 0 40 EDAB CCC(=O)N1CC[C@](Nc2cccc(F)c2)(C(=O)NCCOC)C1 2055747204 PPOFGCYGSITZBM-QGZVFWFLSA-N 337.395 1.381 0 40 EDAB CCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cccc(F)c21 100892794 KWQQGIZNONSZKS-VLGSPTGOSA-N 349.387 1.828 0 40 EDAB Cc1cnc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)nc1 2086856827 QBZGTJFOGVSUNT-GFCCVEGCSA-N 326.347 1.248 0 40 EDAB Cn1nccc1C(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575614957 ANDQJHMSMCIHIP-CYBMUJFWSA-N 337.383 1.607 0 40 EDAB COc1cccc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1OC 390832522 ZXIXPTMZZXALBF-UHFFFAOYSA-N 349.431 1.827 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CCn1c(=O)oc2ccccc21 30848153 STPQBTMNMGFHPT-LBPRGKRZSA-N 334.372 1.689 0 40 EDAB Cc1ccc(-c2nnn([C@H](C)c3nc(N)nc(N(C)C)n3)n2)cc1 31649176 GTFDVXSOWOONKO-SNVBAGLBSA-N 325.380 1.091 0 40 EDAB C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)NCc1ccco1 7705849 MBUZZJBIWURJDM-NSHDSACASA-N 331.324 1.913 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(C(C)C)C1)CC2 40506217 YAOJJRSLLKSIFC-OAHLLOKOSA-N 346.427 1.845 0 40 EDAB COCC(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 40540687 RBSOVUTVXIKGQC-UHFFFAOYSA-N 334.351 1.166 0 40 EDAB CN1CCN(c2cc(CNC(=O)NCc3ccco3)ccn2)CC1 40539894 GNMPOLIVGRODRR-UHFFFAOYSA-N 329.404 1.426 0 40 EDAB Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 29204544 QJIFZYTVAZNEFJ-ZDUSSCGKSA-N 349.456 1.559 0 40 EDAB Cc1ncsc1C(=O)NC1CCN(CC(=O)NCC(C)C)CC1 51100289 AYBQGNYPOXUNPT-UHFFFAOYSA-N 338.477 1.418 0 40 EDAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(F)c(F)c1 3508475 YHXIBFMGKCRYJT-UHFFFAOYSA-N 348.305 1.877 0 40 EDAB COCc1ccccc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69630481 IVDPSCSIRJVYMX-UHFFFAOYSA-N 342.443 1.915 0 40 EDAB COc1ccc(C)cc1NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 7725555 HRDKBXCQTALBOF-UHFFFAOYSA-N 325.324 1.786 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)Nc2nc3ccccc3[nH]2)C1=O 7980909 RPVBHGMYJWOPHG-UHFFFAOYSA-N 329.360 1.612 0 40 EDAB CCOC(=O)CCC(=O)OCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102173544 VODHMAGXODGYJX-RFGFWPKPSA-N 325.405 1.814 0 40 EDAB O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 32912371 DXURWXYRBFAVQZ-KCJUWKMLSA-N 330.203 1.599 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(CC(=O)Nc2nccs2)CC1 69655203 UMZQZRUFUSJKCF-GFCCVEGCSA-N 326.466 1.106 0 40 EDAB COC(=O)[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(C)C 541939 RYIYADLYSDPDSY-HNNXBMFYSA-N 337.395 1.855 0 40 EDAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1nonc1C 523729 CHJMBWSTSDCIKH-UHFFFAOYSA-N 330.300 1.907 0 40 EDAB aggregator Cc1cc(C)n(C[C@@H](C)CNC(=O)NCCN2CCCCCC2=O)n1 41558539 UKDVZOFFIAXXPD-AWEZNQCLSA-N 349.479 1.838 0 40 EDAB Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)NN1CCOCC1 2775179 KHFBEMKEKMFFRZ-MRVPVSSYSA-N 340.733 1.788 0 40 EDAB CC(C)CNS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 9753981 JIVUPFWJNJCALD-UHFFFAOYSA-N 326.418 1.093 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN(C)S(C)(=O)=O)C2CC2)o1 41896818 HWTWBWVEQBQEJQ-BXUZGUMPSA-N 340.445 1.785 0 40 EDAB CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 23625745 RFKZGKNYSMBMST-OLZOCXBDSA-N 338.385 1.664 0 40 EDAB O=C(N[C@@H]1CCOc2ccccc21)N1CCN(c2cnccn2)CC1 43164942 ZLJARYAJECJTFK-OAHLLOKOSA-N 339.399 1.832 0 40 EDAB COc1ccc(/C=C2/C(=O)Nc3ccc(S(N)(=O)=O)cc32)cc1 47202662 MLUQDBNXAOHEHY-RIYZIHGNSA-N 330.365 1.835 0 40 EDAB OC[C@@H]1CCCN1c1cc(NC[C@H](O)c2ccc(F)cc2)ncn1 106905893 ZPVVPVCIVVMTAR-GJZGRUSLSA-N 332.379 1.722 0 40 EDAB COCCOC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1776827 WUQFUPZPAROSFS-JTQLQIEISA-N 336.413 1.772 0 40 EDAB CCN(CC(=O)N1CCC(C(N)=O)CC1)Cc1ccc(Cl)cc1 69071606 ZUKRZEQYAKTXEI-UHFFFAOYSA-N 337.851 1.886 0 40 EDAB COc1ccc(NC(=O)[C@H](CCSC)NC(N)=O)c(OC)c1 8157318 TUXNXTFYMIVJKP-NSHDSACASA-N 327.406 1.432 0 40 EDAB C[C@@H]1CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CCO1 44400457 IIWDGJSGFADXSF-GFCCVEGCSA-N 333.363 1.551 0 40 EDAB CC(C)C(=O)Nc1ccc2c(c1)ncn2CC(=O)NCCN(C)C 61720462 AEWANNRLZRFSTA-UHFFFAOYSA-N 331.420 1.309 0 40 EDAB O=S(=O)(NC[C@H]1CCCNC1)c1ccccc1Br 44502614 CJUBRCLHFFWXTC-JTQLQIEISA-N 333.251 1.727 0 40 EDAB CC(C)[C@H](NC(N)=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 10093621 MSTNSUJKTVSFAC-ZDUSSCGKSA-N 343.391 1.306 0 40 EDAB Cn1cnnc1CNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 58195551 ZFMCHPRWPMPAFC-VXGBXAGGSA-N 335.205 1.998 0 40 EDAB Cc1cc(N)nc(SCCOc2ccc(S(N)(=O)=O)cc2)n1 27577166 FQMORGDAOQHLNA-UHFFFAOYSA-N 340.430 1.186 0 40 EDAB COc1ccc(CNC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cn1 58213618 BOMXAQAWNGDMDQ-AWEZNQCLSA-N 340.383 1.695 0 40 EDAB O=C(NCCNc1cnccn1)NC[C@H]1CCN(c2ccccc2)C1 44970783 ZQWRNXSRECTYAF-OAHLLOKOSA-N 340.431 1.714 0 40 EDAB O=C(Cc1csc(N2CCCC2=O)n1)N[C@@H]1CCN2CCCC[C@H]12 44942117 KPDQLQATCHBASV-ZIAGYGMSSA-N 348.472 1.555 0 40 EDAB CCCOc1ncccc1CNC(=O)c1ccnc(-n2cncn2)c1 58329082 OQUVMLISJYOHBR-UHFFFAOYSA-N 338.371 1.776 0 40 EDAB CCOc1cc(/C=c2\sc3ncnn3c2=O)ccc1OC(C)=O 16733017 SSRARELSOQHWQU-QPEQYQDCSA-N 331.353 1.023 0 40 EDAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1ccc(CCO)cc1 36576055 CXKPCPQPWPWLIP-UHFFFAOYSA-N 341.371 1.244 0 40 EDAB NC(=O)c1cccc2c1CCCN2Cc1nnnn1Cc1ccccc1 69150493 KTZLAGIRPXKBTA-UHFFFAOYSA-N 348.410 1.773 0 40 EDAB C[C@@H](OC(=O)CNC(=O)c1ccco1)C(=O)N(C)c1ccccc1 3336554 NAQMJXFWFQJBGX-GFCCVEGCSA-N 330.340 1.604 0 40 EDAB COCCCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C)cc1 3391894 XMUHKPMTFMFHNL-UHFFFAOYSA-N 340.445 1.301 0 40 EDAB CCCNC(=O)COC(=O)c1ccccc1I 3391301 DRNNKQGDKAKKRD-UHFFFAOYSA-N 347.152 1.974 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c2ccccc2n1 48374460 SLZJTIHUQULXMA-UHFFFAOYSA-N 338.367 1.357 0 40 EDAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1CCS(=O)(=O)C1 17638074 PLROETXPJIILMV-CQSZACIVSA-N 330.409 1.974 0 40 EDAB NC(=O)c1ccccc1OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 12985659 VTFPEBBYBQNHTF-UHFFFAOYSA-N 341.367 1.611 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(OC(F)F)cc1 13006592 NECREWSXUXYDNI-MWLCHTKSSA-N 333.356 1.900 0 40 EDAB O=C(CSc1ncccc1C(=O)O)NCc1ccc2c(c1)OCO2 13188409 IEADHBABKBWZHI-UHFFFAOYSA-N 346.364 1.917 0 40 EDAB Cc1cnc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cn1 13231854 WHQSHOXUKWDUFE-UHFFFAOYSA-N 332.385 1.577 0 40 EDAB Cc1ccc(C)c(-n2nnnc2SCC(=O)NC[C@H]2CCCO2)c1 8391429 OLDSXEYMYQYCTC-CYBMUJFWSA-N 347.444 1.666 0 40 EDAB O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)NC[C@H]2CCCO2)c2ccccc21 4046741 LPVUBEMQVNVTLG-WHCBVINPSA-N 344.367 1.142 0 40 EDAB biogenic CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCCCn1ccnc1 69776881 LHOQPTSNBITTPA-ZDUSSCGKSA-N 338.477 1.727 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)Nc1cccnc1-n1cncn1 69527848 DRVIMDFBZYLLHV-UHFFFAOYSA-N 338.327 1.713 0 40 EDAB C[C@@H](NC(=O)NCC(C)(C)N(C)C)c1ccc(S(N)(=O)=O)cc1 65449613 VGCYZMMQDABOON-LLVKDONJSA-N 342.465 1.034 0 40 EDAB CCn1ncnc1[C@H]1CC(=O)NCc2nc(N3CCCC3)sc21 65461415 CQBJOGBRKGYXGM-JTQLQIEISA-N 332.433 1.507 0 40 EDAB C[C@H](OC(=O)c1nccnc1N)C(=O)N1CCc2ccccc2C1 14059687 HZVZBEKXLOBWNE-NSHDSACASA-N 326.356 1.189 0 40 EDAB Cc1nc(N(C)C)sc1CN1CCO[C@@](C)(c2cnn(C)c2)C1 92017154 YMZGTYMTSPUKKG-MRXNPFEDSA-N 335.477 1.999 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cncnc3C(C)C)CC2)n1 65504559 MKNWSGOTIJRHRN-UHFFFAOYSA-N 342.403 1.361 0 40 EDAB COC(=O)NCC(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 65587022 PLDGLNNFJJXEOV-NSHDSACASA-N 329.397 1.106 0 40 EDAB C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Br)s1 65528800 YOLZDEKHBANJFB-ZCFIWIBFSA-N 339.236 1.020 0 40 EDAB CCN(CC)S(=O)(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 69845395 AKFWQGHMMVJLHJ-UHFFFAOYSA-N 348.490 1.253 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NC[C@H](C)N(C)C)CC2=O)cc1 69843477 RTMKPAQDSWKIAV-ZFWWWQNUSA-N 333.432 1.110 0 40 EDAB COc1ccc(C(=O)Nc2ccccc2-n2cnnn2)cc1OC 6470333 RUJITIBEOPFTSG-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB CCc1nnc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)s1 4502990 FQQCLEPWCRWSDG-UHFFFAOYSA-N 325.415 1.821 0 40 EDAB Cn1[nH]c(=O)c2c(C(=O)N=c3[nH]c4ccccc4[nH]3)cc(C3CC3)nc21 65622929 NRRIZOKRFAVBHT-UHFFFAOYSA-N 348.366 1.690 0 40 EDAB Cc1cccc(-c2noc(CN3CCO[C@@H](Cn4cncn4)C3)n2)c1 69976328 OFQFLZHPIHWYGF-OAHLLOKOSA-N 340.387 1.538 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCN(Cc2cnn(CCO)c2)CC1 69950494 YDYVCFORNBQTNX-CYBMUJFWSA-N 346.435 1.015 0 40 EDAB CCOC(=O)c1sc(NC(=O)[C@H]2CCS(=O)(=O)C2)nc1C 15608200 FKYNKRPTDKDKRL-QMMMGPOBSA-N 332.403 1.001 0 40 EDAB O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CC(O)C2)nc1 71913890 UHAMZDFACVMPHX-UHFFFAOYSA-N 341.339 1.342 0 40 EDAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(C(C)C)C[C@H]32)cc1 306141939 WKXQPDOAYLVKNW-CVEARBPZSA-N 340.427 1.199 0 40 EDAB CCOc1nnc(CN2CCC(c3nnc4n3CCC4)CC2)s1 71828154 RJIBBQDNHVCGAD-UHFFFAOYSA-N 334.449 1.854 0 40 EDAB C/C(=C\C(=O)NC1CCN(CC(N)=O)CC1)CCc1ccccc1 71853357 PZPZAOGUFQCCEN-FYWRMAATSA-N 329.444 1.631 0 40 EDAB O=c1[nH]c(=O)n(Cc2cccnc2)c2c1CN(Cc1ccccc1)CN2 19938944 WLZLMGPFXGJESE-UHFFFAOYSA-N 349.394 1.365 0 40 EDAB O=C(CCCc1nc(C2CC2)no1)N1CCC[C@H](n2cncn2)C1 72292366 JTYGGJXBGNPJGR-ZDUSSCGKSA-N 330.392 1.725 0 40 EDAB CC[C@@H]1CN(CC(=O)NCc2ccc(OC)cc2)CCN1C[C@@H](C)O 72279695 RHYFBDFSTHMAJL-NVXWUHKLSA-N 349.475 1.088 0 40 EDAB CC(C)n1nccc1NC(=O)CNC[C@H]1CCCN1c1cccnn1 72276755 VKAWAOBFKXUQOY-CQSZACIVSA-N 343.435 1.451 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2C)C1 72268304 BBXZSEFAOVJQNT-HNNXBMFYSA-N 333.432 1.469 0 40 EDAB CCn1nc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)ccc1=O 72287045 ALTIVXTUWJNDND-CYBMUJFWSA-N 349.774 1.862 0 40 EDAB COc1ccc(S(=O)(=O)N(C)[C@H]2CCCN(C)C2)c(C)c1F 97084063 JYAIQDCCWZVKBI-LBPRGKRZSA-N 330.425 1.857 0 40 EDAB CCc1nnc(NC(=O)N2CCN(Cc3ccccn3)CC2)s1 97143637 XHKXUUMCWBNUSK-UHFFFAOYSA-N 332.433 1.845 0 40 EDAB CCN1CCCC[C@H]1C(=O)Nc1cn(C)cc(Br)c1=O 97114786 LZGORIWNGIDKLM-LBPRGKRZSA-N 342.237 1.961 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN(CC(=O)NCc3cccs3)C2)no1 76047375 NBPTXHZTIKUUHP-ZDUSSCGKSA-N 349.460 1.262 0 40 EDAB COc1ccc(COCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 76052856 COXFQEXLJSJZHG-QAPCUYQASA-N 348.443 1.391 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN1CCn2ccnc2C1 97201245 SMSYMVDOEMCIPS-UHFFFAOYSA-N 326.400 1.687 0 40 EDAB O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1cccnc1 20426648 PAIZZACLFMXBKY-UHFFFAOYSA-N 338.411 1.156 0 40 EDAB CC[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@H]1N1CCOCC1 84735821 BMHVEZVFYMKUHW-SJLPKXTDSA-N 348.491 1.539 0 40 EDAB CC(C)S(=O)(=O)CCN1CCC[C@H](C(=O)NC2CCCCC2)C1 95408388 MFLRZXVRURSRNZ-HNNXBMFYSA-N 344.521 1.971 0 40 EDAB C[C@H]1Cc2cc(S(=O)(=O)NC[C@@H](N)c3ccccc3)ccc2O1 95432053 SNFRFUZZQPSKED-BLLLJJGKSA-N 332.425 1.988 0 40 EDAB C[C@@H](C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1)c1cnn(C)c1 95439925 PXJHOANDHZEBNI-OCCSQVGLSA-N 331.372 1.617 0 40 EDAB C[C@@H](C(=O)N1CCCCC1)N1CCN(c2ncc(Cl)cn2)CC1 95418480 OHVRHSSDPLIQCE-ZDUSSCGKSA-N 337.855 1.653 0 40 EDAB CC(C)c1cccc(S(=O)(=O)NCCCN2CCC(O)CC2)c1 95432928 BPPZFBVSPZZCIV-UHFFFAOYSA-N 340.489 1.935 0 40 EDAB CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2)C1 95440027 RJBBVFZWXKBYOR-FZMZJTMJSA-N 344.864 1.669 0 40 EDAB Cn1ncc2c1CCC[C@H]2NCCOc1ccc(S(C)(=O)=O)cc1 95422064 ZABSBLZHPDPGGL-MRXNPFEDSA-N 349.456 1.870 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3cn[nH]c32)C1 95436660 KNLVHWAYEUCCCZ-HUUCEWRRSA-N 330.432 1.594 0 40 EDAB CC(C)(C)N1C[C@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC1=O 79076555 IZRDLJJIJIZUAO-QWHCGFSZSA-N 333.436 1.698 0 40 EDAB CS(=O)(=O)c1nccn1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 95974679 OBMIFGDRNKEEDZ-LBPRGKRZSA-N 348.346 1.909 0 40 EDAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCC1(CO)CC1 95966732 GWGXVBZTXSFXIV-UHFFFAOYSA-N 347.440 1.295 0 40 EDAB COc1ccc2nc(C)cc(C(=O)N3CCN(C)C[C@@H]3CN)c2c1 95971631 DPYCYRXSGMCUFW-ZDUSSCGKSA-N 328.416 1.267 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 95994973 QXWYOGSIPAFAFK-CYBMUJFWSA-N 338.408 1.827 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1 95994977 FLLHQLVMHPHSSL-CYBMUJFWSA-N 338.408 1.827 0 40 EDAB CC[C@@H](COC)NC(=O)N1CCn2c(nnc2-c2ccccc2)C1 74370232 BAZOHMVEOONMNW-AWEZNQCLSA-N 329.404 1.895 0 40 EDAB NC(=O)[C@@H]1CN(c2cncc(OCc3cccc(Cl)c3)n2)CCO1 86181457 OKJRNLSUFUNRKL-ZDUSSCGKSA-N 348.790 1.400 0 40 EDAB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)N[C@H]1CCCC[C@@H]1C 409000728 FOVSZQSOGIQPHE-RWMBFGLXSA-N 327.425 1.308 0 40 EDAB Cc1sc2ccccc2c1S(=O)(=O)NC[C@@](C)(O)CN(C)C 89534475 HEKREKUKOAOSRY-OAHLLOKOSA-N 342.486 1.801 0 40 EDAB Cc1cc(C)c(CNC(=O)Cc2cnn(-c3ccccc3)n2)c(=O)[nH]1 75111081 GXLZLOIAYVGPMI-UHFFFAOYSA-N 337.383 1.431 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c(=O)[nH]1 75120017 DWZJHPWPGHXWEP-ZDUSSCGKSA-N 342.399 1.233 0 40 EDAB Cc1nsc(N[C@@H]2CCCCCN(C(=O)[C@@H]3CCNC3=O)C2)n1 1049943914 KQDJCPHTRJTGHK-VXGBXAGGSA-N 337.449 1.166 0 40 EDAB O=C(Cc1ncccc1F)Nc1ccc(N2CCCS2(=O)=O)cc1 527165231 OHKIMLXIXXGMPD-UHFFFAOYSA-N 349.387 1.942 0 40 EDAB COc1ccc(CNC(=O)c2cc(=O)c(OC)cn2C)cc1OC 79189966 PEFRYJVYIJMQOQ-UHFFFAOYSA-N 332.356 1.341 0 40 EDAB biogenic O=C(Cn1nc2c(cc1=O)CCCC2)N1CC[C@]2(O)CCCC[C@H]2C1 71334725 ABMNKCUNRHEWSF-HNAYVOBHSA-N 345.443 1.276 0 40 EDAB CNc1ncccc1CN1CCO[C@@H](c2cc(N(C)C)nc(C)n2)C1 72387846 WCMXLOMNPDJWNN-MRXNPFEDSA-N 342.447 1.861 0 40 EDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CO)cc1 218111175 GTYISAMDORGFHF-OKZBNKHCSA-N 347.436 1.633 0 40 EDAB Cc1nc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)nn1C 36752238 RALFZHPFFRVMSW-UHFFFAOYSA-N 342.325 1.856 0 40 EDAB O=C(NC1(c2cc(F)ccc2F)CC1)[C@@H]1CC2(CCNCC2)CN1 72119578 FIBHCQWOTQUVAE-HNNXBMFYSA-N 335.398 1.802 0 40 EDAB NS(=O)(=O)[C@H]1CCCN(C(=O)NCCCc2cccs2)C1 558572004 CJLOBOSVLICGRZ-LBPRGKRZSA-N 331.463 1.143 0 40 EDAB Cc1ccn(CCCNC(=O)c2cc(C3CC3)nc3ncnn23)n1 36619328 OKWVICVUKYHMRS-UHFFFAOYSA-N 325.376 1.327 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(CC)cc1 218493523 IFRYPRVOFPOTPI-DZKIICNBSA-N 325.430 1.268 0 40 EDAB COc1cc2ncn(CCC(=O)N3CCCC3)c(=O)c2cc1OC 32096952 OHHZJRUODUDWCS-UHFFFAOYSA-N 331.372 1.426 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(OC)cc1 218082732 AVRKSDQXIJUDCM-OFQRWUPVSA-N 341.429 1.104 0 40 EDAB Cc1cccc(OCCNC(=O)NCC(=O)NCC(F)(F)F)c1 40554991 KEXUGDYOJAAGFM-UHFFFAOYSA-N 333.310 1.352 0 40 EDAB Cc1n[nH]c(=O)c(CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1C 71914053 WLXDXTGZZGLDKD-SECBINFHSA-N 349.412 1.189 0 40 EDAB CN(C)c1cccc(C(=O)NCc2nc(-c3cc[nH]c(=O)c3)no2)c1 225801804 VXGQEKUNWGNBGF-UHFFFAOYSA-N 339.355 1.421 0 40 EDAB CC1(C)CN(C[C@@H]2CN(c3ccccc3)CCO2)CCS1(=O)=O 568165801 XXSUVNXYQAAGKQ-MRXNPFEDSA-N 338.473 1.401 0 40 EDAB COCCn1nnn(-c2ccc(NC(=O)c3cccs3)cc2)c1=O 75163209 IJDWLXKSPUNYJD-UHFFFAOYSA-N 345.384 1.389 0 40 EDAB CSCC[C@](C)(O)CNC(=O)C(=O)NCc1ccc(F)cc1 75157618 OOHYPZKGXGKHAW-HNNXBMFYSA-N 328.409 1.062 0 40 EDAB NS(=O)(=O)Cc1ccc(NC(=O)c2nnc3ccccc3n2)cc1 225555201 UUNONAMIMVGIHH-UHFFFAOYSA-N 343.368 1.066 0 40 EDAB COC(=O)CCC(=O)N1C[C@H]2CN(CCCc3ccccc3)C[C@@H]2C1 96080923 LINUKFOVERJELM-QZTJIDSGSA-N 344.455 1.963 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccnnc2)Cc2ncn(CC3CC3)c21 96060282 LTNGAMPGDSWYGG-AWEZNQCLSA-N 327.388 1.469 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(c1ncccn1)C2)NCc1ccccn1 96208381 DZEKHMCYFZTIOE-KDOFPFPSSA-N 339.399 1.031 0 40 EDAB Cc1nc2ccccn2c1CN1CCC[C@@H]1C(=O)N1CCOCC1 95413127 XDBWMUQVLYEXMO-OAHLLOKOSA-N 328.416 1.466 0 40 EDAB O=C1NC[C@H](COc2ccccn2)[C@]12CCN(Cc1ccco1)C2 96215151 TZXCRJIQQAYRFK-RDTXWAMCSA-N 327.384 1.692 0 40 EDAB CN(C)CCN1CCOCC2(CCN(C(=O)c3ccncc3)CC2)C1 96239849 NOFHLSJCLJXONU-UHFFFAOYSA-N 346.475 1.198 0 40 EDAB Cc1cccc(N2CCOC[C@@]3(C2)CN(c2ccoc2)C(=O)CO3)n1 96240179 QWWHHDUVSOFEEQ-GOSISDBHSA-N 343.383 1.622 0 40 EDAB c1cc(CN2CCOC[C@]3(CC[C@H](CN4CCOCC4)O3)C2)ccn1 96052367 ZIUIARWBNQZANO-MOPGFXCFSA-N 347.459 1.164 0 40 EDAB COC(=O)[C@@H](c1cccc(Br)c1)N1CCNC(=O)CC1 96487653 LXFUNDAYCGBMKM-CYBMUJFWSA-N 341.205 1.485 0 40 EDAB CN(CCO)C(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 96502563 AQVOPDDPNULOAP-OKZBNKHCSA-N 331.460 1.921 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)no1 96042279 QEIPVAICAQCFJL-OFQRWUPVSA-N 329.356 1.829 0 40 EDAB Cc1nnc(C[C@@H]2OC[C@H]3CN(C(=O)c4cccnc4)CC[C@@H]23)o1 96208485 XDPVDUDGNKKGDU-KFWWJZLASA-N 328.372 1.493 0 40 EDAB Cn1cc(-c2cnc(N3CCOCC3)nc2)cc1C(=O)N1CCCO1 96037578 JPQQXXGHXCXMEM-UHFFFAOYSA-N 343.387 1.096 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3cccs3)C2)no1 96207303 YQBQYQJGIPRZTL-CXAGYDPISA-N 347.440 1.809 0 40 EDAB CN(C)S(=O)(=O)N1Cc2cncn2[C@H](COCC2CCCC2)C1 247923741 CWSPYQXYJHORCI-HNNXBMFYSA-N 342.465 1.253 0 40 EDAB Cc1ncsc1CN1Cc2ncn(C)c2[C@H](C(=O)NC(C)C)C1 248066439 WCMYOPJULSBJDG-GFCCVEGCSA-N 333.461 1.809 0 40 EDAB Cn1cccc1C(=O)NC[C@@H]1CCC2(CN(C3CCOCC3)C2)OC1 248144350 RINABGVLLSCCSX-HNNXBMFYSA-N 347.459 1.415 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2cnc(C)cn2)C1 257315878 VDBXVJWYHKKGAB-CYBMUJFWSA-N 326.404 1.712 0 40 EDAB CN(C)Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)nc1 257269628 MQSSKPPSODHQPT-HNNXBMFYSA-N 335.433 1.392 0 40 EDAB CN(C)Cc1ccnc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257306027 SSOGFFXKTHUUQB-OAHLLOKOSA-N 346.456 1.742 0 40 EDAB CO[C@@H]1CCCC[C@@H](NC(=O)c2ccnc(N3CCCC3)c2)[C@H]1O 257282798 OVIZSZFKMZHHOX-BFYDXBDKSA-N 333.432 1.730 0 40 EDAB CC(=O)N1CCO[C@H](CCc2cc(-c3c(C)noc3C)ncn2)C1 257205244 AYENSXBOYNNMIH-OAHLLOKOSA-N 330.388 1.928 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(Cc2cnccn2)C1 257329069 XIGKQBYDKMCURV-LBPRGKRZSA-N 335.433 1.058 0 40 EDAB Cn1c(C(=O)N2CC[C@@](O)(CN3CCCC3)C2)cc2cc(F)ccc21 257235907 HABCHLNPKUTNGP-LJQANCHMSA-N 345.418 1.990 0 40 EDAB CC(C)NC(=O)[C@@H](c1ccccc1)N1CCC2(CC1)CNC(=O)N2C 1615045293 PEVNBZGSUXYUGF-MRXNPFEDSA-N 344.459 1.742 0 40 EDAB COc1cccc(C2(NS(=O)(=O)N(C)C)CCOCC2)c1F 390834988 AHFYCXVXCKDZTJ-UHFFFAOYSA-N 332.397 1.236 0 40 EDAB CC(C)CC(=O)N1CCn2cc(CC(=O)N3CCCC3)nc2[C@@H]1C 585097299 ICIGXHXNNDIUDM-AWEZNQCLSA-N 332.448 1.997 0 40 EDAB O=C(N1CC[C@]2(C1)C(=O)NC[C@H]2COc1ccccn1)C1(F)CCC1 585105061 OMPVFPZGZQKWCC-SUMWQHHRSA-N 347.390 1.317 0 40 EDAB COC(=O)C[C@@H]1CCCN1C(=O)C[C@H](O)COCc1ccccc1 585140913 NAXNHQZJQFZUIB-HOTGVXAUSA-N 335.400 1.508 0 40 EDAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)[C@@H]1CCOC1 585112255 NOZPRGHVZUWZQU-SJORKVTESA-N 341.411 1.698 0 40 EDAB c1cnc(OC[C@@H]2CCn3nccc3CN2C2CCOCC2)nc1 585097505 MNMYWBVJQIJIGR-INIZCTEOSA-N 329.404 1.505 0 40 EDAB CCc1ccc(C(=O)N2CCO[C@@H](CN(CC(=O)O)C(C)=O)C2)cc1 681942493 LRRTUFQJILRZSJ-MRXNPFEDSA-N 348.399 1.023 0 40 EDAB C[C@H](NC(=O)NC[C@@]1(N2CCOCC2)CCSC1)c1ccco1 44951816 NAXLEXHFZNNJGW-BBRMVZONSA-N 339.461 1.848 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 57265168 BYFKPYDQYREFNJ-SNVBAGLBSA-N 332.372 1.454 0 40 EDAB COCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 66485307 HXARSPKGZRODHN-QGZVFWFLSA-N 346.427 1.687 0 40 EDAB C[C@@H]1CN(C(=O)C2=NO[C@@]3(CCCNC3)C2)C[C@@H](c2ccsc2)O1 1548545658 QMGREQFIFHNGJE-PVUWLOKVSA-N 349.456 1.935 0 40 EDAB COc1cc2c(cc1OC)S(=O)(=O)N(CC(=O)C(C)(C)C)C2=O 65622543 CRHHCUSLUSMWAP-UHFFFAOYSA-N 341.385 1.464 0 40 EDAB CC(C)(C)C(=O)NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 37143487 VECOAOMBRQFKOZ-UHFFFAOYSA-N 345.443 1.701 0 40 EDAB CSC[C@](C)(O)CNS(=O)(=O)c1ccc2c(c1)CCCC2 75157305 BXBLEFGHGJUXPW-OAHLLOKOSA-N 329.487 1.958 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1cccnc1N1CCCC1 106167236 FWGGONLBPFGHSF-LSDHHAIUSA-N 345.447 1.667 0 40 EDAB CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)c1ccncc1C(N)=O 580056507 LPJZFSBJQICUQB-ROUUACIJSA-N 340.427 1.689 0 40 EDAB Nc1cc(F)c(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1Cl 1615586879 QRMUKQGOCVEMHL-LSDHHAIUSA-N 341.814 1.733 0 40 EDAB Cc1ccc(O[C@H](C)Cn2nnnc2N(C)C[C@H]2COCCO2)cc1 1616033320 NLSYNGYWOKQKBC-ZBFHGGJFSA-N 347.419 1.301 0 40 EDAB Cc1ccc(Br)c(S(=O)(=O)NCCn2cnnc2)c1 583650923 BSZHMOWXAMJAEE-UHFFFAOYSA-N 345.222 1.328 0 40 EDAB COc1cc(CCC(=O)NCCn2c(=O)oc3cc(C)ccc32)on1 12188691 DELRTRUIBUSMRE-UHFFFAOYSA-N 345.355 1.649 0 40 EDAB O=C(Cn1cccnc1=O)N[C@H](Cc1ccsc1)c1cccnc1 12228600 VNEKYZLUYGWPSU-OAHLLOKOSA-N 340.408 1.800 0 40 EDAB CCC[C@@H](NC(=O)NCC(=O)N1c2ccccc2CC[C@H]1C)C(=O)O 12865751 VSRODSJJMLGNHP-TZMCWYRMSA-N 347.415 1.907 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc(CN(C)C)n(C)n1 19710074 AMHQEGSPKDBXBR-OAHLLOKOSA-N 343.497 1.205 0 40 EDAB CCOC[C@@H]1CCCN(S(=O)(=O)c2csnc2C(=O)O)C1 580643885 DQWMXAKLWGLSAN-SECBINFHSA-N 334.419 1.279 0 40 EDAB CCOC(=O)C1=CN(Cc2c(C)noc2C)S(=O)(=O)N=C1C 1888904014 PFJOPOMWYLRFFV-UHFFFAOYSA-N 327.362 1.260 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(c3nccn4nccc34)CC2)n1 1889133991 LIUMYPDKZSPNFJ-UHFFFAOYSA-N 338.419 1.220 0 40 EDAB COc1ccc(-c2nc3s/c(=C/c4ccco4)c(=O)n3n2)cc1 33285555 JJKZXBGNQXGULX-UKTHLTGXSA-N 325.349 1.967 0 40 EDAB O=C(N1CCO[C@]2(COCCN(c3cccnc3)C2)C1)C1(F)CCC1 1614927376 MEHKROKAUUZMEQ-KRWDZBQOSA-N 349.406 1.408 0 40 EDAB CC(=O)Nc1nnc(SCC(=O)Nc2nc(C)cs2)s1 7387644 WQNJZKRKMBQQIA-UHFFFAOYSA-N 329.432 1.992 0 40 EDAB Cc1cc(C(=O)N2CC(n3nc(-c4ccccc4)ccc3=O)C2)no1 1775974303 ZUJHZNXDHSVVTR-UHFFFAOYSA-N 336.351 1.904 0 40 EDAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)COc1ccc(C(C)C)cc1 225632111 LVTMDLQLLNDPAH-HZPDHXFCSA-N 335.400 1.978 0 40 EDAB CCc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)OC)CC2)cc1 43941811 DJBWEXBQSIWGCF-UHFFFAOYSA-N 347.415 1.782 0 40 EDAB CN(c1nc2ccc(F)cc2o1)C1CN(c2ccc3nncn3n2)C1 585592912 YEFRNVWRBGVECJ-UHFFFAOYSA-N 339.334 1.730 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@@](O)(c2cccs2)C2CC2)no1 75155332 IEOPXMKEROMMCL-HNNXBMFYSA-N 335.385 1.397 0 40 EDAB CCCCc1nc(CN2CCNC(=O)[C@@H]2CC(=O)OC)cs1 40088686 NVMNIRVSAFKHTQ-LBPRGKRZSA-N 325.434 1.349 0 40 EDAB C[C@H]1COCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 40086262 UJYDDDRJUVLBDF-VIFPVBQESA-N 325.308 1.995 0 40 EDAB CCc1ccc(CN(C)CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)cc1 40463494 UUABLHDNZRFVKF-UHFFFAOYSA-N 344.415 1.016 0 40 EDAB 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CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)CC1 100747197 ILHFDWFUDMBMOP-LXZKKBNFSA-N 344.459 1.991 0 40 EDAB COc1ccccc1C(=O)NCCC(=O)N[C@@H](C)Cn1ccnc1 42510085 QMLIGHYZTATZKH-ZDUSSCGKSA-N 330.388 1.217 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2C(=O)N[C@@]3(CCSC3)C2=O)c1 24096858 XZFFKDGYSWUKRQ-BLLLJJGKSA-N 336.413 1.162 0 40 EDAB COc1cc(CNC(=O)c2ccc(N3CCOCC3)nc2)ccc1O 47513262 MWIAXXAGVNAEEQ-UHFFFAOYSA-N 343.383 1.562 0 40 EDAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C1=NN(C)C(=O)CC1 24227953 MBZGWGDWWMALOW-UHFFFAOYSA-N 339.399 1.498 0 40 EDAB C[C@@H]1CN([C@H](C)CNC(=O)[C@@H](c2ccccc2)N(C)C)C[C@@H](C)O1 106144958 DDZIVHUEIHMLJV-YFHUEUNASA-N 333.476 1.903 0 40 EDAB Cn1c(=O)c2c([nH]c(=S)n2Cc2ccc(Cl)cc2)n(C)c1=O 100510043 FULUDSQAMYAPHN-UHFFFAOYSA-N 336.804 1.798 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)N1CCC[C@@H]2CCCC[C@H]21 106667254 GWGQMLHFNOSIOW-GVDBMIGSSA-N 331.464 1.924 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC(C(N)=O)CC1 25707034 VYSQPYOVLWHBGI-UHFFFAOYSA-N 328.372 1.218 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H](C)OC[C@@H]2CCCO2)C[C@@H]1N1CCOCC1 107354757 JDPHTFAOMVWPEU-YVSFHVDLSA-N 340.464 1.140 0 40 EDAB COC(=O)c1ccoc1CSc1nnc(-n2nc(C)cc2C)n1N 43872865 XMDZXNARONIHDB-UHFFFAOYSA-N 348.388 1.466 0 40 EDAB O=C(Nc1ccn(Cc2cccc3cccnc23)n1)[C@@H]1COCCO1 89808019 NOHDKDJEORMKQT-HNNXBMFYSA-N 338.367 1.834 0 40 EDAB CC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 68849141 YYUKWLHEQJOZDY-UHFFFAOYSA-N 331.463 1.281 0 40 EDAB CCC[C@@H]1CCCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 58379968 ZWWHQLAQMLNJTM-MYSGNRETSA-N 333.432 1.526 0 40 EDAB CC(C)N1CCC[C@@H](CNC(=O)Cn2nnc(-c3ccccc3)n2)C1 58341216 ZKFXHIRGHSUOQQ-HNNXBMFYSA-N 342.447 1.577 0 40 EDAB O=C(CS(=O)(=O)C[C@@H]1CCCO1)N[C@@H]1CCCc2ccccc21 45359669 JICRCWWQRCDXBS-GOEBONIOSA-N 337.441 1.774 0 40 EDAB C[C@@H](c1cccs1)N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1 45406307 UUNQWVNSVUIVEE-NSHDSACASA-N 345.490 1.875 0 40 EDAB CN(C)[C@H](CNC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 16600027 IMUDGUTYRUNCOB-GOSISDBHSA-N 339.439 1.764 0 40 EDAB COc1cccc([C@@H](NC(=O)NC[C@H]2CCOC2)c2nccn2C)c1 48281819 NTOWCCSHCREUOE-CZUORRHYSA-N 344.415 1.854 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H](C)[C@H]1CCCO1 48319814 VSWCUVRYJFKZGF-IUODEOHRSA-N 342.399 1.367 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCSc2ccc(F)cc21 48353536 GXLCDNKZNWWCSF-CMPLNLGQSA-N 344.433 1.849 0 40 EDAB COCCNC(=O)[C@@H](C)S(=O)(=O)c1cc(Cl)ccc1Cl 48301190 IVUOPIHECAMEDU-MRVPVSSYSA-N 340.228 1.918 0 40 EDAB CCOc1ccc(CCC2CCN(C(=O)Cn3cnnn3)CC2)cc1 48333205 SRPPXODHMDKKGH-UHFFFAOYSA-N 343.431 1.943 0 40 EDAB CN(C)[C@@H](CNC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 16600026 IMUDGUTYRUNCOB-SFHVURJKSA-N 339.439 1.764 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccccc1OC(F)(F)F 12999311 CFFLCHOLVHGWOD-SECBINFHSA-N 333.310 1.861 0 40 EDAB CN(C[C@@H](O)COCc1ccco1)[C@@H]1CCCN(c2cccnn2)C1 69870666 RZQZHASEGPHQJK-HZPDHXFCSA-N 346.431 1.548 0 40 EDAB Cc1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)cc1C 69898859 JOICWQHGBFXQLD-UHFFFAOYSA-N 342.486 1.412 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2ccc(-n3cccn3)c(F)c2)CC1 70007082 JKTYCBBGABGAMA-OAHLLOKOSA-N 346.406 1.540 0 40 EDAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@](C)(O)c1ccco1 81836325 XWPNOSOGCMNSRH-VQIMIIECSA-N 342.395 1.577 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N1CCC[C@@H](C(=O)N(C)C)C1)C2 64497836 GCLWSGVJBLWPGX-HUUCEWRRSA-N 346.427 1.573 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N[C@@H]3CCSC3=O)CC2=O)cc1 5060852 RIIUVDSZFGQUCH-ZWNOBZJWSA-N 334.397 1.196 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)NCc2cccc(F)c2)CC1 65439441 MFIGKQAAMJWBRI-UHFFFAOYSA-N 329.397 1.049 0 40 EDAB CCCC[C@H]1CCC[C@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O 65513669 SOXLMNJBUICKOJ-GXTWGEPZSA-N 331.420 1.605 0 40 EDAB COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1C=C[C@H](C(=O)O)C1 92181892 JJIJZNMYCZMFEE-WPRPVWTQSA-N 331.777 1.656 0 40 EDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C(=O)OC)cc1 4551674 SORSKMWSJWXYDK-CYBMUJFWSA-N 334.397 1.829 0 40 EDAB C[C@H]1CN(C[C@H](O)CN2CCC(Cn3cccn3)CC2)C[C@@H](C)O1 65623979 IYUUGGYVNDVADA-SOLBZPMBSA-N 336.480 1.065 0 40 EDAB Cc1cccc(C2(C(=O)N3CCN(CC(N)=O)CC3)CCCC2)c1 69413993 XBHNDBZKHCGQKX-UHFFFAOYSA-N 329.444 1.436 0 40 EDAB Nc1nc(N)nc(COC(=O)CCCCCc2ccc(O)cc2)n1 69452377 BHSPUAJQJPWEOV-UHFFFAOYSA-N 331.376 1.588 0 40 EDAB CCS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2ccc(F)cc2)CC1 69415429 ZQPFKEUPEJIGHX-CQSZACIVSA-N 344.408 1.007 0 40 EDAB COC(=O)CCN(Cc1ccc(S(=O)(=O)N(C)C)o1)C(C)C 69975468 BAEAJDSUIQGBPA-UHFFFAOYSA-N 332.422 1.303 0 40 EDAB CCOc1ncccc1NS(=O)(=O)c1ccc(C(=O)OC)o1 69918354 IJIMOZWUQONMCG-UHFFFAOYSA-N 326.330 1.661 0 40 EDAB CCn1c(SC[C@H]2CCCO2)nc2cc(S(N)(=O)=O)ccc21 6933046 SETUXHTZWOYXNZ-SNVBAGLBSA-N 341.458 1.975 0 40 EDAB CN1CCCN(C(=O)c2n[nH]nc2Nc2cccc(Cl)c2)CC1 67284721 BZGAQQPIQIBFRB-UHFFFAOYSA-N 334.811 1.979 0 40 EDAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H]1COc2ccccc2O1 67620218 CKZGQLWTWQHTEQ-XJKSGUPXSA-N 332.400 1.686 0 40 EDAB CC(=O)NCC[C@H]1CCCN(CCn2c(=O)oc3ccccc32)C1 67895264 HNYMLJUFTAHQKM-OAHLLOKOSA-N 331.416 1.833 0 40 EDAB O=C([C@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1)N1CCCCC1 69561458 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CCCC(=O)N[C@H]1CCCN(c2ccc(-n3ccc(C)n3)nn2)C1 96458979 UUQDBXGCZIFCDH-AWEZNQCLSA-N 328.420 1.856 0 40 EDAB CN(CCOc1cccc(Cl)c1)C[C@H](O)CN1C(=O)CCC1=O 71898281 NXIAGJYNVYSKNW-ZDUSSCGKSA-N 340.807 1.161 0 40 EDAB CCn1c(=O)n(C[C@H](O)CN2C[C@H](C)O[C@H](C)C2)c2ccccc21 71825089 DBCQHVFMDUCJEX-QLFBSQMISA-N 333.432 1.293 0 40 EDAB Cc1nn(C[C@H](O)CN2C[C@H](C)O[C@H](C)C2)c(=O)c2ccccc12 71825064 HNSYRQQMEVYWSF-VNHYZAJKSA-N 331.416 1.175 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)C2=NN(C(C)C)C(=O)CC2)no1 76044137 GFCAZZUFCKAYPH-LBPRGKRZSA-N 333.392 1.682 0 40 EDAB CN(CC(=O)Nc1ccc2c(c1)C(=O)NCC2)C(=O)c1ccco1 72287102 CXAGKTCLJHLNAH-UHFFFAOYSA-N 327.340 1.276 0 40 EDAB Cc1ccc(Cn2nc(C)c(CCC(=O)NS(C)(=O)=O)c2C)cc1 72270441 GYJCEBPQVYMQLG-UHFFFAOYSA-N 349.456 1.865 0 40 EDAB CCc1cc(=O)n2nc(N3CCC[C@@H](c4ccn[nH]4)C3)sc2n1 72274630 LDEDTJCSFVLYNQ-SNVBAGLBSA-N 330.417 1.821 0 40 EDAB CCc1nc(CNc2cc(N3CCCS3(=O)=O)ccc2F)n[nH]1 97096490 WZNFEBJEXOHXRK-UHFFFAOYSA-N 339.396 1.658 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN(CC(=O)Nc3nccs3)C2)o1 84258768 VOATYQGERXOKMW-LBPRGKRZSA-N 335.433 1.584 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)Nc2ccc3c(c2)nc(C)n3C)c1C 72305134 NYBIXDLGKCBGOP-UHFFFAOYSA-N 325.372 1.845 0 40 EDAB O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)C1CCN(c2cnccn2)CC1 78894868 AMOWSUYSSPETGP-CVEARBPZSA-N 340.431 1.800 0 40 EDAB COCCN(C(=O)C(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 95394157 RGCANPCELVEESD-ZDUSSCGKSA-N 347.383 1.441 0 40 EDAB NS(=O)(=O)CCCNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 95394149 PAHUCOMWAUNJTL-HOTGVXAUSA-N 332.425 1.738 0 40 EDAB CC[C@@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@@H]1N1CCOCC1 84735970 KSDNLWNUOSUOEJ-CABCVRRESA-N 343.431 1.221 0 40 EDAB CCn1cc(S(=O)(=O)N(CCO)[C@@H]2CCCc3ccccc32)cn1 95433135 QOQUKDVDADKSTH-QGZVFWFLSA-N 349.456 1.964 0 40 EDAB Cc1cc(C(F)(F)F)nc(N2CC[C@H](CN3CCOCC3)C2)n1 95469202 GYFCYMYIDGJDKC-GFCCVEGCSA-N 330.354 1.962 0 40 EDAB CCc1cc(=O)[nH]c(CN2CCCN(C(=O)c3ccsc3)CC2)n1 79102131 XQJYCDXOHKCSON-UHFFFAOYSA-N 346.456 1.742 0 40 EDAB Cn1cnc2cc(NC(=O)[C@H](c3ccccc3)n3cnnn3)ccc21 79480503 XUPHQMPSQFKUFC-INIZCTEOSA-N 333.355 1.788 0 40 EDAB Cc1n[nH]c([C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)C(C)C)n1 95960881 ZXQLGQVQGFEPSP-AWEZNQCLSA-N 325.376 1.821 0 40 EDAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2c(n[nH]c2=O)C1 95942234 WEIZVCQFSKZKPI-UHFFFAOYSA-N 328.159 1.926 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)c3ccccc32)C1 95950677 MMVBAYMVVJIZMN-HIFRSBDPSA-N 329.400 1.264 0 40 EDAB O=C1CN(C(=O)NCc2ccnc(OCc3ccccc3)c2)CCN1 79977374 LOTJRBCERNFRHA-UHFFFAOYSA-N 340.383 1.302 0 40 EDAB COC(=O)c1ccc(OC[C@H](O)CN(C)Cc2cccnc2)cc1 89363690 FBSLRIIQXFSZEC-MRXNPFEDSA-N 330.384 1.740 0 40 EDAB C[C@H](NC(=O)N1CCNC(=O)CC1)c1cccc(-n2cccn2)c1 74939536 IQYQFAPLTQFZHW-ZDUSSCGKSA-N 327.388 1.465 0 40 EDAB Cc1[nH]ncc1C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 89544395 PICQPLQYARJCFC-IRXDYDNUSA-N 326.400 1.444 0 40 EDAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCc1csc(=O)[nH]1 89507874 MVYOHDGZWZOUNK-UHFFFAOYSA-N 347.400 1.051 0 40 EDAB Cc1cc(N2CCC(NC(=O)NCc3cccnc3)CC2)nc(C)n1 89599381 OBSJCPOVZWKZND-UHFFFAOYSA-N 340.431 1.957 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N1CCCSCC1 75123002 OBVUCLVRBQQLNI-UHFFFAOYSA-N 344.440 1.648 0 40 EDAB Cc1cc(C)n(-c2ccc(NC3CCN([C@@H]4CCOC4)CC3)nn2)n1 89602984 BUHRHXIHOCLWGL-MRXNPFEDSA-N 342.447 1.944 0 40 EDAB CCn1c(=O)[nH]c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2C)c1=O 20757601 KUSYTUNNRNQHIT-HNNXBMFYSA-N 340.383 1.321 0 40 EDAB biogenic Cc1ccc([C@](O)(CCNc2ccc3nnnn3n2)C(F)(F)F)o1 22406405 IYPRJTXSXUWCBA-GFCCVEGCSA-N 342.281 1.673 0 40 EDAB CS(=O)(=O)NCC[C@@H]1CCOC12CN(C(=O)C1=CCCCC1)C2 306124769 BYVPJOSTIMXRNB-CQSZACIVSA-N 342.461 1.044 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 33663108 YXDDGMSSJYROAH-UHFFFAOYSA-N 334.397 1.921 0 40 EDAB O=C(c1ccc(N2C(=O)c3cnncc3C2=O)cc1)N1CCCCC1 408975508 LDUZIJHCHITUNH-UHFFFAOYSA-N 336.351 1.903 0 40 EDAB Cc1coc(C)c1C(=O)N1C[C@H](c2cnn(C)c2C)[C@@H](C(N)=O)C1 527580757 SLTDIRRLBFZLBB-KGLIPLIRSA-N 330.388 1.279 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCC[C@H](NC(=O)OCc2ccccc2)C1 79428169 CUCHXCUJNJXXAM-HOTGVXAUSA-N 333.432 1.887 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)NC[C@@H]2Cc3ccccc3O2)c1 33112577 UGZNVIUFKJNJHI-AWEZNQCLSA-N 331.393 1.824 0 40 EDAB COc1ccc(-c2ocnc2C(=O)NC[C@H](O)[C@H]2CCCO2)cc1 529765585 BWQYBOAITIBEEA-UONOGXRCSA-N 332.356 1.620 0 40 EDAB NC(=O)C1(N2CCCCC2)CCN(C(=O)Cc2cccc(F)c2)CC1 71768166 MEGHPSLEZRXCSH-UHFFFAOYSA-N 347.434 1.701 0 40 EDAB CNC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)NCC1(C)CC(F)(F)C1)C2 1553360723 XWSXZQKPRXHPGF-XHDPSFHLSA-N 345.390 1.216 0 40 EDAB CN(CCNS(=O)(=O)c1cnn(C)c1)Cc1ccc(Cl)s1 75590983 KGNJTNUHIJUBNY-UHFFFAOYSA-N 348.881 1.545 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2)CC1 32907987 KNHSYXDOXFQYHU-UHFFFAOYSA-N 332.372 1.509 0 40 EDAB CCN1CCN(c2ccc(C(=O)Nc3n[nH]c(N(C)C)n3)cc2)CC1 557441482 UCXBMIJGCNXGSH-UHFFFAOYSA-N 343.435 1.265 0 40 EDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(CC)CC)cc1 39986135 JKDJAFDAHRSIRX-UHFFFAOYSA-N 342.461 1.964 0 40 EDAB O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 70639390 YKVGAKJNSCGPNS-CYBMUJFWSA-N 334.322 1.623 0 40 EDAB CCc1nc([C@H]2CCCN2Cc2cc(=O)n3nc(C)sc3n2)no1 75573217 SYLRTCRWGQCWPK-LLVKDONJSA-N 346.416 1.742 0 40 EDAB CS(=O)(=O)N1CCC(c2nccnc2Nc2ccccn2)CC1 72362007 HKOKCSVVZSCCTK-UHFFFAOYSA-N 333.417 1.754 0 40 EDAB Cc1cc(C)cc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 48368122 CJWNWJRLCRFLKF-PVAVHDDUSA-N 329.396 1.994 0 40 EDAB O=C(NCC1CCN(c2ccccn2)CC1)C(=O)Nc1ccon1 43941336 ZGARFYNUCMLSRU-UHFFFAOYSA-N 329.360 1.041 0 40 EDAB O=C(CNC(=O)C1CCCCC1)Nc1ccc2c(c1)NC(=O)CO2 40459888 OEGJYJWQPIUZKJ-UHFFFAOYSA-N 331.372 1.653 0 40 EDAB Cn1ccc(CNC(=O)Cn2cc(COc3cccc(F)c3)nn2)n1 227169633 WDYUBGNRKQGWLV-UHFFFAOYSA-N 344.350 1.046 0 40 EDAB Cn1cccc1-c1noc(CNC(=O)c2cnc3ccccc3n2)n1 225765746 NKXMJUQIGVFAFK-UHFFFAOYSA-N 334.339 1.948 0 40 EDAB Cc1ccc2c(c1)nc(CCNC(=O)[C@@H](C)CS(C)(=O)=O)n2C 195533021 MVRUJBBEIOMLJD-LBPRGKRZSA-N 337.445 1.221 0 40 EDAB CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)CCn1cccn1 195222070 OYJISNJFRVMEDR-UHFFFAOYSA-N 345.428 1.944 0 40 EDAB CC(C)c1nnc2n1CCN(S(=O)(=O)CCN1CCCC1)[C@@H]2C 192936688 MVHSGAPLMLGOIW-CYBMUJFWSA-N 341.481 1.204 0 40 EDAB CN(C[C@H]1Cc2ccccc2CO1)C(=O)c1cnn2c1OCCC2 225789802 PUWVXSOTGHYCBU-OAHLLOKOSA-N 327.384 1.879 0 40 EDAB COc1cccc(OCC(=O)N2CCC[C@H](Oc3cnccn3)C2)c1 225469835 JNVNZZLLBJZAHT-INIZCTEOSA-N 343.383 1.934 0 40 EDAB O[C@H](CNc1ncccc1I)COCC1CC1 96419418 GJIFFMAKKUNHEZ-SNVBAGLBSA-N 348.184 1.886 0 40 EDAB Cn1ncc2c1[C@H](COCC1CC1)N(C(=O)c1ccncc1)CC2 96197788 FQOQPOXSAAQNMN-INIZCTEOSA-N 326.400 1.981 0 40 EDAB OCCCN1CCN(c2nc3ccccc3nc2N2CCCC2)CC1 96486627 SHSZJNZJGXIULL-UHFFFAOYSA-N 341.459 1.734 0 40 EDAB Nc1ccc(S(=O)(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cc1 97376030 NSFUVCYCLYYDEW-LBPRGKRZSA-N 338.351 1.593 0 40 EDAB CCOCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181758 NFEZEDFPCCOGAF-CVEARBPZSA-N 338.379 1.267 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)C/C=C/c2ccccc2F)C1 96455592 DJQJRUQLOKODRL-BTKRWWFXSA-N 340.420 1.769 0 40 EDAB CN(C)[C@H]1CCCN(c2nc3ccccc3nc2N2CCOCC2)C1 95449370 ZOXBIUZPRRPZMU-HNNXBMFYSA-N 341.459 1.997 0 40 EDAB Cc1nc(CN2C[C@H]3OC[C@H](C(=O)Nc4cccnc4)[C@H]3C2)cs1 96216185 QBDFKMNJQRSMRD-OWCLPIDISA-N 344.440 1.932 0 40 EDAB CC(C)N1CCO[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CC[C@@H]2C1 96082340 LXQBZTDCGKYMIC-CRAIPNDOSA-N 346.427 1.987 0 40 EDAB CS(=O)(=O)CCNC(=O)c1csc(Cc2ccccc2F)n1 96409848 HUYVHRASSFLHPQ-UHFFFAOYSA-N 342.417 1.647 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2nccs2)C1 96064948 ORIPREDCXKWPBN-JHJVBQTASA-N 345.428 1.551 0 40 EDAB C[C@@H](NS(=O)(=O)N1CCC[C@@H](C(=O)O)C1)c1cccc(F)c1F 582357780 OORXVVCFYPSLJG-NXEZZACHSA-N 348.371 1.657 0 40 EDAB CNC(=O)[C@@H](Cc1ccccc1)N1CCC[C@H]1C(=O)N1CCCCC1 96113025 PGIIURMIJJPNAA-ZWKOTPCHSA-N 343.471 1.821 0 40 EDAB biogenic,in-vitro CCn1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(C)cc2)n1 96181405 SYGOTQPXOVWAHG-IRXDYDNUSA-N 342.399 1.748 0 40 EDAB CNC(=O)c1cccc(N2CCN(c3cc(C)nc(C)n3)CC2)n1 96429294 FXVDRGCTAQFMPJ-UHFFFAOYSA-N 326.404 1.175 0 40 EDAB O=C(c1cccc(F)c1)N1C[C@@H]2C[C@H](C1)CN2C(=O)[C@H]1CCCO1 96252274 CFVYFZPECYVHMI-UHOFOFEASA-N 332.375 1.678 0 40 EDAB O=C(c1cccnc1)N1CC2(CCN(C(=O)c3cscn3)C2)C1 96046446 MXNYFUQWQOUUIZ-UHFFFAOYSA-N 328.397 1.526 0 40 EDAB CN(C)CC(=O)N1CC2(C[C@H](CCOc3ccccn3)CCO2)C1 247954573 CNXYPQCLWAADPM-OAHLLOKOSA-N 333.432 1.420 0 40 EDAB CCCCn1cc(CN2CCN(C(C)=O)C[C@@H](C(=O)NC)C2)c(C)n1 257339790 ZDERQNWWWZQTRA-KRWDZBQOSA-N 349.479 1.018 0 40 EDAB COc1ccc(CN(C)[C@@H]2CN(C(=O)c3ccccn3)C[C@H]2O)cc1 257226351 FKIIBIIYIIVLJV-QZTJIDSGSA-N 341.411 1.408 0 40 EDAB CCn1cc(C(=O)N2CCC3(CC2)CN(C(C)=O)[C@@](C)(CO)C3)cn1 257270167 MTAOVLZBLYFAIO-QGZVFWFLSA-N 348.447 1.129 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CCN3CCCC3)CCO2)n1 257264915 LWMZBOKOQFYELY-SFHVURJKSA-N 346.475 1.842 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(C(=O)C3CCNCC3)CCO2)ccn1 257283382 OYBAIPCKJFMEEY-KRWDZBQOSA-N 346.475 1.307 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2ccncc2)CCN1Cc1ccccc1 257326038 WVNCXKPCKKDEDN-KRWDZBQOSA-N 338.411 1.154 0 40 EDAB CN1c2ccc(F)cc2O[C@@H]2C[C@@H](NC(=O)c3cccnc3)[C@@H](O)[C@@H]21 257220428 DKUYJWRCITYHII-BASLNEPJSA-N 343.358 1.350 0 40 EDAB Cc1noc(C)c1CC(=O)N1CC[C@@H]2OCC(=O)N(C(C)C)[C@H]2CC1 257299628 RQVMLJGLWDQEMJ-HOTGVXAUSA-N 349.431 1.461 0 40 EDAB CCN1CCN(c2nn(-c3ccccc3Cl)nc2C(=O)O)CC1 256048544 UHSUSLCLWCAIAA-UHFFFAOYSA-N 335.795 1.761 0 40 EDAB O=C1N[C@@H](c2ccccc2)[C@H](O)CC12CCN(Cc1c[nH]cn1)CC2 257297471 RHJIYMNNPDROCK-SJORKVTESA-N 340.427 1.614 0 40 EDAB COc1ccc([C@@H]2CN(Cc3cnn(C)c3)CCN2C(C)=O)cc1 257281550 OPSUAGNFJQXOEZ-SFHVURJKSA-N 328.416 1.834 0 40 EDAB CC(C)(C)OC(=O)[C@@H]1CCCCN1CC1CN(S(C)(=O)=O)C1 585116861 KMMDIGIHIASSLJ-ZDUSSCGKSA-N 332.466 1.074 0 40 EDAB O=S1(=O)CCC[C@@H](NS(=O)(=O)c2cnc3sccc3c2)C1 585115069 LEYBMHHIXJTVHL-SNVBAGLBSA-N 346.455 1.152 0 40 EDAB COC(=O)N[C@H](C(=O)N[C@H](C)c1nc(C(F)(F)F)no1)C(C)C 585123784 NSEVOIICHZJQGX-RQJHMYQMSA-N 338.286 1.646 0 40 EDAB CC(C)(C)c1cc(C(=O)N2CCO[C@@H](c3nccnc3N)C2)[nH]n1 257223915 DZMQNNWPSKOUTN-LLVKDONJSA-N 330.392 1.293 0 40 EDAB CN1CCN(CCCOc2ccccc2F)C[C@@H](C(=O)N(C)C)C1 257211764 CAHMECWFWYGJIJ-HNNXBMFYSA-N 337.439 1.546 0 40 EDAB Nc1nccnc1C[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 257320375 VWOBJYQUBMCQRK-GFCCVEGCSA-N 333.417 1.097 0 40 EDAB CN(C)c1cnc(C[C@H]2CCCN(C(=O)c3nccn3C)CC2)cn1 257285373 PGTVHURBQWTJAP-AWEZNQCLSA-N 342.447 1.761 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cncc(Cc2ccccc2F)c1 257297379 RGZJLDHLSUNBHT-HNNXBMFYSA-N 348.399 1.728 0 40 EDAB C[C@]1(C2CCN(CC(N)=O)CC2)CN(Cc2ccccc2)C(=O)O1 257208569 BMSHSQVHBPCFCQ-GOSISDBHSA-N 331.416 1.595 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)CCCn1cncn1 257282067 OSEZDMIBSKQWTM-OAHLLOKOSA-N 344.419 1.017 0 40 EDAB Cc1cnc([C@@H]2CN(Cc3ccc(OCC(=O)O)cc3)CCO2)cn1 257212148 CCCWLSWSLINJCT-KRWDZBQOSA-N 343.383 1.822 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 357228869 GQHNSLKZEQYBHC-UHFFFAOYSA-N 326.418 1.375 0 40 EDAB CCCc1nc(C(=O)NC[C@@H]2CN(c3nncs3)CCO2)co1 1615047001 WFUHYONLIMYPHY-SNVBAGLBSA-N 337.405 1.114 0 40 EDAB O=C([C@@H]1CSCCS1)N1CCC[C@H](NCC(F)(F)F)C1 1615586794 SIRMUJOFCSFJQZ-UWVGGRQHSA-N 328.425 1.978 0 40 EDAB c1ccc(Cn2cc(-c3noc([C@H]4CCc5ncnn5C4)n3)nn2)cc1 1615539724 MXTDDPUPUDBRQQ-ZDUSSCGKSA-N 348.370 1.698 0 40 EDAB Cc1cccc(OC2CCN(C(=O)CSc3nnnn3C)CC2)n1 96119475 YPBRMOLGZLQMMN-UHFFFAOYSA-N 348.432 1.076 0 40 EDAB O=C1CCCCN1C[C@H]1CCC2(CN(C(=O)[C@@H]3CCOC3)C2)OC1 575404481 MXODOJKRVJSEJC-HUUCEWRRSA-N 336.432 1.043 0 40 EDAB CC(C)C(=O)N1CCn2cc(C(=O)NCc3cccnc3)nc2[C@H]1C 585096290 GBAHJIHGRPZWSL-CYBMUJFWSA-N 341.415 1.767 0 40 EDAB CN1C[C@@H](CO)CC12CN(S(=O)(=O)c1cccc(Cl)c1)C2 585093879 MIVCOKNBDXZOMI-NSHDSACASA-N 330.837 1.027 0 40 EDAB CN1CCC[C@H](NC(=O)Cn2ccnc2)[C@@H]1Cc1cccc(F)c1 585280392 HMVXPKQWZIRHAI-IRXDYDNUSA-N 330.407 1.844 0 40 EDAB CO[C@](C)(CS(=O)(=O)N[C@H](C)[C@H](CO)SC)c1ccccc1 585142005 LMGYFNYQSRTIRQ-VHDGCEQUSA-N 347.502 1.580 0 40 EDAB Cc1ccc(N2C[C@@]3(CCN(C(=O)C4CC(O)C4)C3)CC2=O)cc1 585101603 ZPUAWMSYLYMWCD-KJXMEXGPSA-N 328.412 1.721 0 40 EDAB CC(=O)N1CCC(N2CC[C@](O)(COc3ccc(C)cc3)C2)CC1 585269498 XCCAAWAOYCUGCI-LJQANCHMSA-N 332.444 1.822 0 40 EDAB Cc1c(C(=O)N[C@@H](C)c2cccnc2)cnn1[C@@H]1CCS(=O)(=O)C1 58405964 QQQANKHSFXJCIX-SMDDNHRTSA-N 348.428 1.437 0 40 EDAB O=C(NCc1nncn1-c1ccccc1)c1cc2c([nH]c1=O)CCCC2 68089746 CZSXNLJYVJEFQJ-UHFFFAOYSA-N 349.394 1.764 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1ccc(OC[C@H]3CCCO3)cc1)C2 69458863 QITSAMKNXPJYDN-MRXNPFEDSA-N 342.399 1.800 0 40 EDAB Cc1ccc(NC2CCN(C(=O)COc3cccnc3)CC2)nn1 69981356 YIMWHLSUBWVGMF-UHFFFAOYSA-N 327.388 1.662 0 40 EDAB CN1CCCN(S(=O)(=O)c2cc(Cl)cc3c2OCC3)CC1 96009861 KENAGEKRQQALKB-UHFFFAOYSA-N 330.837 1.601 0 40 EDAB C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CN1CC[C@H](C(N)=O)C1 585084362 PFGZLXGNXPMOMM-RDBSUJKOSA-N 325.453 1.687 0 40 EDAB CCOC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2 5710498 ITVFWBOCNNFJMW-UHFFFAOYSA-N 340.372 1.684 0 40 EDAB CS(=O)(=O)c1snnc1C1CCN(Cc2ncc[nH]2)CC1 12121353 YLMMNQQQLBYSFP-UHFFFAOYSA-N 327.435 1.044 0 40 EDAB C=Cn1cc(CN2CCC(O)(Cn3nc(C)ccc3=O)CC2)c(C)n1 12187763 USSIMWHUIZIEFZ-UHFFFAOYSA-N 343.431 1.184 0 40 EDAB 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334.405 1.465 0 40 EDAB CN1CCN([C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)O)CC1 22593084 SJXYZKXROJQPKW-KRWDZBQOSA-N 341.411 1.869 0 40 EDAB Cn1cc(CCCNC(=O)NCCc2nnc3n2CCCCC3)cn1 89755637 HJWABWMWTRXPKV-UHFFFAOYSA-N 345.451 1.213 0 40 EDAB CCN(CC)[C@H](CNC(=O)CN1CSCC1=O)c1ccccc1 22752084 XFMMNVMBFPLPSB-OAHLLOKOSA-N 335.473 1.719 0 40 EDAB CCOC(=O)CSCC(=O)/N=c1/cc[nH]n1Cc1cccc(C)c1 104240712 CYJHVHBGOLLDCR-CYVLTUHYSA-N 347.440 1.897 0 40 EDAB c1cc(CNCc2ccc(N3CCOCC3)nc2)c2c(c1)OCCO2 54173724 XKDGOKZMJOLFSZ-UHFFFAOYSA-N 341.411 1.979 0 40 EDAB COc1ccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100646862 QBIXQUUWHHOLLI-ADIQIFPJSA-N 345.351 1.375 0 40 EDAB CN1CCN(C(=O)c2ccccc2I)CC1 23423483 ONFGSSYCLILTIH-UHFFFAOYSA-N 330.169 1.679 0 40 EDAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccn1 47505094 GRZINHJQHOOHAA-UHFFFAOYSA-N 345.424 1.796 0 40 EDAB COC(=O)[C@]12[C@H]3[C@@H]4C=CC[C@@H]4[C@H]4[C@@H]3[C@H]3[C@H]5[C@@H]6[C@@H](CC[C@H]6O[C@@H](O)[C@@]451)[C@@H]32 104286855 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332.448 1.196 0 40 EDAB O=C(NCc1ncc(-c2ccccc2)o1)N[C@H]1CCS(=O)(=O)C1 44946224 ALQKBXBLBPZUGM-LBPRGKRZSA-N 335.385 1.328 0 40 EDAB CC(=O)N1CCN(CCNC(=O)c2csc3c2CCCC3)CC1 44936330 JOTBLOZAQLFLGQ-UHFFFAOYSA-N 335.473 1.521 0 40 EDAB CNC(=O)CCS(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 44938668 VSRBKUVDWRUMLQ-UHFFFAOYSA-N 326.349 1.532 0 40 EDAB Cc1csc(CNC(=O)N2CCN(Cc3cccnc3)CC2)n1 44967404 FUUMHNOKIQNLOI-UHFFFAOYSA-N 331.445 1.874 0 40 EDAB Cc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1F 58379517 VIUBWZANLZRLTJ-INIZCTEOSA-N 333.407 1.688 0 40 EDAB CCN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 69737813 UFDJDIRQSITSHU-XIRDDKMYSA-N 329.444 1.949 0 40 EDAB Cc1nnc(SCC(=O)Nc2ncc3c(n2)CCCC3=O)s1 2351565 GZLAVLBWDQTQTG-UHFFFAOYSA-N 335.414 1.886 0 40 EDAB COc1ccc(F)cc1CSCC(=O)NCC(=O)N1CCCC1 69772547 PNNUJLYEVPQRLW-UHFFFAOYSA-N 340.420 1.806 0 40 EDAB O=C(CNC(=O)[C@H]1COc2ccccc2O1)Nc1ccc(F)c(F)c1 3354377 HRJXFGILSKZFMP-OAHLLOKOSA-N 348.305 1.860 0 40 EDAB CN1CCC[C@@H]1C(=O)N1CCCN(Cc2ncc(Cl)n2C)CC1 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325.430 1.943 0 40 EDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(F)cc1 3903508 SQJYBAIWOXUXJB-ZOMKSWQUSA-N 338.331 1.212 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3cn4c(C)cc(C)nc4n3)CCO2)c1 69451675 HDBVRFVIBWJAES-QGZVFWFLSA-N 340.431 1.752 0 40 EDAB Cc1cnn(C[C@@H]2CN(C[C@H](O)COc3ccccc3)CCO2)c1 69458772 XBZNPVBEGUJKHH-WMZOPIPTSA-N 331.416 1.332 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)no1 69588618 VZVZXXJSCHDKRO-UHFFFAOYSA-N 339.355 1.458 0 40 EDAB COc1ccc(OCCNC(=O)N2CCC(n3cncn3)CC2)cc1 69538860 CMSZWRNMWRDEEN-UHFFFAOYSA-N 345.403 1.712 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2sccc2S(C)(=O)=O)C1 69530302 PFGJHYCCBVTUIQ-VXGBXAGGSA-N 344.502 1.859 0 40 EDAB C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)Nc2ccccc2)CC1 69809136 YMSDWNBRLMXIKD-HNNXBMFYSA-N 346.431 1.083 0 40 EDAB CC(C)CN1CCC(C(=O)NCCNC(=O)Cc2ccccc2)CC1 65405877 ZSWGDBALCODXSO-UHFFFAOYSA-N 345.487 1.830 0 40 EDAB COc1ccc(NC(=O)NCCNC(=O)c2ccccc2F)cn1 65528809 DLVGUSKLUXCHAY-UHFFFAOYSA-N 332.335 1.781 0 40 EDAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 65537910 XTXPDIDIRXWWIX-OCCSQVGLSA-N 344.477 1.012 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H](C)c1nncn1C 65590846 NLAHLVZYBGBJKY-QWHCGFSZSA-N 345.403 1.748 0 40 EDAB O=C(NCC1CC1)[C@H]1CSCN1C(=O)Cc1noc2ccccc12 65568567 AVTNZDHPVOSQFL-CQSZACIVSA-N 345.424 1.798 0 40 EDAB COC[C@H](C)NC(=O)N1CCN(CCc2ccc(OC)cc2)CC1 65589113 XUMOXPUTAZIBTC-HNNXBMFYSA-N 335.448 1.600 0 40 EDAB CCOCCCNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 65577739 WKEVWDNVTZVDAM-UHFFFAOYSA-N 335.404 1.286 0 40 EDAB CN1CCN(CCCN(C)S(=O)(=O)c2ccc(F)cc2F)CC1 69980127 DMTLQFLYGGNMFW-UHFFFAOYSA-N 347.431 1.223 0 40 EDAB CC(C)c1nnc2n1CCN(CC(=O)NCCOc1ccccc1)C2 69951925 OQALRBYTOMKGIY-UHFFFAOYSA-N 343.431 1.412 0 40 EDAB NC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 8981342 OSQSGTHUVVBEDW-UHFFFAOYSA-N 342.351 1.964 0 40 EDAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)NC(C1CC1)C1CC1 65603718 KKTOBXCTCPDDHZ-UHFFFAOYSA-N 343.305 1.637 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@H](C)OC(C)(C)C3)cc12 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EDAB COC(=O)N1CCC[C@@H](NC(=O)NCCc2ccc3c(c2)OCO3)C1 83891392 VOHHZMNXOFWUJV-CYBMUJFWSA-N 349.387 1.488 0 40 EDAB CCNC(=O)CCS(=O)(=O)Cc1nccn1Cc1ccccc1 72281639 FHEOXYQHFOPJFP-UHFFFAOYSA-N 335.429 1.372 0 40 EDAB Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1CCO[C@@H](C)C1 72293182 IXJYWPCGDBRFTM-AWEZNQCLSA-N 347.415 1.720 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)Cn2nc(-n3ccnc3)ccc2=O)c1 97000701 QIFSKHOLRLXANS-OAHLLOKOSA-N 340.383 1.486 0 40 EDAB COc1ccccc1[C@H]1CCN(Cc2nc(-c3nc[nH]n3)no2)C1 97045726 KXTALLOGVXHYQV-NSHDSACASA-N 326.360 1.853 0 40 EDAB Cc1cnc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cn1 84258184 RSPATMJYVMUIIZ-MSOLQXFVSA-N 338.411 1.510 0 40 EDAB C[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)c1nnnn1-c1ccccc1 97135225 UZIRPLUQYJCPGV-XJKSGUPXSA-N 340.431 1.714 0 40 EDAB Cn1c(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc2ccccc21 78788427 GQJARHGBSIVIDX-WMZOPIPTSA-N 327.428 1.850 0 40 EDAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(CO)O2)cc1 408733185 FSDZLSOHVWOSQZ-SFUIVIKGSA-N 343.379 1.671 0 40 EDAB NS(=O)(=O)CCCN1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 78900867 VKGMHYVIBLPUOK-VIFPVBQESA-N 340.371 1.287 0 40 EDAB Cc1ccc2[nH]c(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cc2c1 97604024 GLHJEOOKNBHDPH-UHFFFAOYSA-N 326.356 1.291 0 40 EDAB O=C(c1cc2ccccc2oc1=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 73152563 IVIKWYJQMRFPAB-ZDUSSCGKSA-N 347.392 1.585 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 95948820 CVYDWBJYFOJNRK-CQSZACIVSA-N 331.416 1.212 0 40 EDAB CC[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@@H]1c1ccccc1 74285087 WZWILWPGLXIYCQ-HOCLYGCPSA-N 338.473 1.920 0 40 EDAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1nnc2n1CCC2 86396806 VDPBPDLUNYTDOF-SJKOYZFVSA-N 325.416 2.000 0 40 EDAB Cc1ccc(S(=O)(=O)NCC[S@@](=O)C(C)(C)C)cc1N(C)C 89644189 CMPKDBPYCMTQIY-NRFANRHFSA-N 346.518 1.887 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)cc1 22228066 NNEBRDWGWTVSGR-UHFFFAOYSA-N 348.490 1.199 0 40 EDAB COC(=O)c1ccc(NC(=O)C[C@H]2SC3=NCCN3C2=O)cc1 61720982 VBOIWBIVJGEJQB-LLVKDONJSA-N 333.369 1.115 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 408620949 KTULYKNSCVSYDX-MZUWNQQASA-N 337.331 1.609 0 40 EDAB NC(=O)c1cn(CC(=O)N[C@@H]2CCn3ccnc3C2)c2ccccc12 547983535 ORUDZNMRVVRXLN-GFCCVEGCSA-N 337.383 1.068 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)C1 78602831 MQDWQMOZEKJCFA-GFCCVEGCSA-N 341.358 1.130 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CC[C@H](Oc3ccccn3)C2)ccn1 528838540 GLSYZHKLKVPNEB-AWEZNQCLSA-N 326.356 1.729 0 40 EDAB CCc1ccccc1NC(=O)Cn1nnc2c(C)n(C)nc2c1=O 32647288 KGOPXQKDGZJDMU-UHFFFAOYSA-N 326.360 1.035 0 40 EDAB CS(=O)(=O)c1cccc(CNC(=O)N2C[C@H](N)C3(CCC3)C2)c1 1553487525 CPZVRBDICUWBNH-AWEZNQCLSA-N 337.445 1.113 0 40 EDAB O=C1[C@H]2Cc3ccccc3CN2C(=S)N1CCCN1CCOCC1 36611066 LPRNXZANTFQQPP-MRXNPFEDSA-N 345.468 1.263 0 40 EDAB CN1CCn2c(nnc2[C@H]2CCCN2C(=O)Cc2ccc(F)cc2)C1 72373915 FNPIDKSFTOIVPK-OAHLLOKOSA-N 343.406 1.769 0 40 EDAB CC(=O)c1cn(CCC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc12 79486485 SURKDLAFGWKTFR-ZDUSSCGKSA-N 348.424 1.537 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CCN(CCn2cccn2)CC1 62022031 CNMFDPBEQCEKCX-UHFFFAOYSA-N 342.428 1.346 0 40 EDAB COC[C@]1(C(N)=S)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218466550 OGGRRYXSGGBLQV-MDZLAQPJSA-N 333.862 1.769 0 40 EDAB COc1ccc(C[C@]2(c3cccc(OC)c3)NC(N)=NC2=O)cc1 71975284 OZYDMJFHHAWZPH-GOSISDBHSA-N 325.368 1.586 0 40 EDAB CCn1nc(C)c2c1cnn2CC(=O)NCCc1ccc(OC)cc1 41123900 YHCRYHHHSNSPKW-UHFFFAOYSA-N 341.415 1.929 0 40 EDAB Cc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCC3)c2=O)cc1C 222660874 BPKIVZIJCBIMTM-UHFFFAOYSA-N 343.383 1.437 0 40 EDAB CC(C)(C)OC(=O)N1CCC(CNCCN2CCOCC2)CC1 89212611 PWZDHWFSOZCHOW-UHFFFAOYSA-N 327.469 1.555 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H](O)c2cccs2)cc1OC 74558892 FGIICLLWSUXMKT-NSHDSACASA-N 343.426 1.777 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)nn(CC(C)C)c1C 49548474 CCSPHOQAFJLLMU-OAHLLOKOSA-N 349.479 1.695 0 40 EDAB CCc1nncn1CCNS(=O)(=O)c1cc(C)c(F)cc1F 84675121 AAKYPQCOAFZENV-UHFFFAOYSA-N 330.360 1.406 0 40 EDAB COCc1ccccc1S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)O 571757742 DQNQLKVEYKFNGF-GFCCVEGCSA-N 343.401 1.086 0 40 EDAB Cc1csc2c(N3CCN(S(=O)(=O)C4CC4)CC3)ncnc12 528117579 KKEODYPSBHQUNC-UHFFFAOYSA-N 338.458 1.614 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)C 193412166 YTNKTQDPPQEHOD-NSHDSACASA-N 328.434 1.585 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2OC)s1 223781637 QRXARHNMIHTDDG-UHFFFAOYSA-N 342.402 1.696 0 40 EDAB CCN1CCN([C@@H](C)CNS(=O)(=O)c2cc(C)c(C)s2)CC1 195574141 JZUKPNDZNTUTOC-ZDUSSCGKSA-N 345.534 1.669 0 40 EDAB O=C(Cc1ccco1)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 96206891 CWRACPKKPZXOSO-VQIMIIECSA-N 342.395 1.909 0 40 EDAB Cc1cccc(CN2CC[C@]3(CCN(S(=O)(=O)C4CC4)C3)C2=O)c1 96050603 FTFOJVIHNHNBAG-GOSISDBHSA-N 348.468 1.912 0 40 EDAB CN(C)Cc1cccc(CN2C[C@H](CO)[C@H](CN3CCCC3)C2)c1 91846395 DSHHLMBFNARXAQ-WOJBJXKFSA-N 331.504 1.884 0 40 EDAB C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)CCc1ccco1 96410224 SNYJFTAYJMCPRF-INIZCTEOSA-N 342.443 1.934 0 40 EDAB Cn1cc(CNC(=O)NCCc2nc(C(F)(F)F)cs2)cn1 96439392 KEPSEAVIGKFAJC-UHFFFAOYSA-N 333.339 1.937 0 40 EDAB Cc1noc(C)c1CC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 583619554 PVORKXDTBVYPRX-PBHICJAKSA-N 328.372 1.317 0 40 EDAB O=C(CCCn1cccn1)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 583652732 DTQPWOFVBSZEMJ-OWCLPIDISA-N 330.432 1.523 0 40 EDAB biogenic CC[C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1N1CCOCC1 333210084 TVPWSWNFQXZFHP-CZUORRHYSA-N 330.432 1.537 0 40 EDAB O=C(c1ccco1)N1CCN2C[C@H](OCc3ccccn3)C[C@H]2C1 96183478 NCOXARSEOWFLDD-JKSUJKDBSA-N 327.384 1.790 0 40 EDAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCO[C@H](CF)C2)n1 331361756 ZMKJWNQOTSBXGU-CYBMUJFWSA-N 333.363 2.000 0 40 EDAB Cc1cnc(C(=O)N2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)cn1 96245214 FLXFFPITSGVKJP-AAEUAGOBSA-N 328.397 1.582 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)[C@@H](O)Cc1ccc(Cl)cc1 91690430 WYZSWYNOMWUYLF-ZDUSSCGKSA-N 342.823 1.884 0 40 EDAB Cn1nc(COCC2CC2)c2c1CN(C(=O)c1csnn1)CC2 96085012 PWXJELNOWMGPTK-UHFFFAOYSA-N 333.417 1.397 0 40 EDAB Cn1nccc1CNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 96426202 ZQNPGFABOBMDER-INIZCTEOSA-N 332.379 1.249 0 40 EDAB O=C(C[C@@H]1CO[C@@H]2CN(c3ncccn3)C[C@H]12)Nc1cccnc1 96215650 IFMIMYPJQYFHIP-BPLDGKMQSA-N 325.372 1.352 0 40 EDAB CC(C)(C)[C@@H](O)[C@](Cl)(I)S(C)(=O)=O 96520047 QQUXFEBXUJPNCX-VDTYLAMSSA-N 340.610 1.766 0 40 EDAB CC(C)C(=O)N1CCN(Cc2cccnc2)C[C@]2(CCCC(=O)N2)C1 96238355 ZSKGJDFTUGZIDH-LJQANCHMSA-N 344.459 1.421 0 40 EDAB COc1ccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2S(=O)(=O)N(C)C)cc1 247971168 UOOULBVXCDDOQJ-HEHGZKQESA-N 340.445 1.733 0 40 EDAB O=C(Nc1cc(Cl)ccc1O)[C@@H]1C[C@@H](O)CN1c1ccncn1 585122258 UDMPGAYPVHJEJL-PWSUYJOCSA-N 334.763 1.414 0 40 EDAB CNc1nccnc1[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CCO1 257266812 MEQAJNZZONRBGE-INIZCTEOSA-N 342.399 1.863 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)c3cc(C)on3)n2)cn1 252536630 JAIHDCXZSOVEIC-UHFFFAOYSA-N 329.316 1.757 0 40 EDAB COC(C)(C)C(=O)N1CCOC[C@@H](Cc2cn3ccnc3cn2)C1 257287865 PRUPNBHHBRQIFG-ZDUSSCGKSA-N 332.404 1.172 0 40 EDAB O=C(CCn1ncc2ccccc21)N1CCO[C@H](c2cnccn2)C1 257223729 DYPYZJSBGSIGCO-KRWDZBQOSA-N 337.383 1.817 0 40 EDAB Cc1cccc(CN2C(=O)CCCC[C@H]3[C@H]2CCN3CC(N)=O)c1 257290419 QCWPCNPQXDQZSL-DLBZAZTESA-N 329.444 1.826 0 40 EDAB Cc1nc2ccccn2c1CC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1 257265993 MBEBGUNSVQQGCI-YJBOKZPZSA-N 329.400 1.328 0 40 EDAB CCc1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)on1 257250162 JLHSFXXBFXDXJP-GJZGRUSLSA-N 331.372 1.677 0 40 EDAB CN1CCN(C(=O)c2cccc(Oc3ccccc3)c2)[C@H](C(N)=O)C1 257337719 YUCSHZBTCFNIQD-KRWDZBQOSA-N 339.395 1.720 0 40 EDAB CC(=O)NCc1cnc([C@H]2CN(c3nc(C)cc(C)n3)CCO2)[nH]1 257290884 QERXNHFZUKPHRZ-CQSZACIVSA-N 330.392 1.031 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2ccc(OC)c(F)c2)CCO1 257270390 MUAQAOHWWOSHGT-CQSZACIVSA-N 346.362 1.880 0 40 EDAB CN(C)Cc1cn(-c2ccccc2C(=O)NCc2ccnn2C)cn1 257216315 CTZIPWFQBWYHHF-UHFFFAOYSA-N 338.415 1.597 0 40 EDAB COC1(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)CCCCC1 263201936 VEOUDRVVJXIMTI-UHFFFAOYSA-N 334.372 1.789 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C[C@@H](O)C3CC3)CC2)c1 85466995 MOLXJJJSUZARLS-MRXNPFEDSA-N 338.473 1.381 0 40 EDAB O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 85560804 MNINOBCZBSQSKS-ZDUSSCGKSA-N 343.335 1.998 0 40 EDAB CN1C(=O)CC[C@@H]1CC(=O)NCCC1CCN(c2ccncc2)CC1 1615557465 JKMULKSLSLFJKF-QGZVFWFLSA-N 344.459 1.815 0 40 EDAB CSc1ccc([C@H](O)CNC(=O)C(=O)Nc2cc(C)on2)cc1 96103249 GMBYYWAVXZHBIN-GFCCVEGCSA-N 335.385 1.493 0 40 EDAB COc1ccc(C(=O)NCc2nc(-c3cnn(C)c3)no2)cc1F 390829325 DPEJJJAHEYLTTD-UHFFFAOYSA-N 331.307 1.548 0 40 EDAB Cc1cccc(OC[C@]2(O)CCN(C(=O)CCCn3cncn3)C2)c1 585271420 GOXFISFUCCIXLZ-SFHVURJKSA-N 344.415 1.409 0 40 EDAB Cc1cc(CN2CCC[C@@]3(C2)CN(Cc2cncs2)C3=O)n(C)n1 585099320 DHDRSKCCQNVWLS-QGZVFWFLSA-N 345.472 1.810 0 40 EDAB Cc1ccc(OC[C@]2(O)COCCN(C(=O)c3ccon3)C2)cc1 585269304 ONSODBNGYNJTIM-QGZVFWFLSA-N 332.356 1.266 0 40 EDAB O=C(Cc1cccc(C(F)(F)F)c1)NCCn1cccnc1=O 827849445 HXFBYLYVEIQVCD-UHFFFAOYSA-N 325.290 1.621 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@H]3CCN4CCCC[C@H]34)CC2)no1 47105235 OFDCQKQFNVLBBF-DLBZAZTESA-N 347.463 1.437 0 40 EDAB CCN(CCS(=O)(=O)Oc1ccccc1)CC(=O)NC(C)C 48811355 LCJCMRFFMNBBSN-UHFFFAOYSA-N 328.434 1.242 0 40 EDAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 56073163 KOFHESWKPKGEEE-LBPRGKRZSA-N 348.371 1.864 0 40 EDAB O=C(CCc1ccncc1)N1CCC(c2nnc3n2CCC3)CC1 57146165 GRGHEMIQDGVLID-UHFFFAOYSA-N 325.416 1.958 0 40 EDAB CCOC(=O)[C@@H]1CCCCN1C(=O)Cn1nnc(-c2ccccc2)n1 57915128 SLFVAMWESGIIMA-AWEZNQCLSA-N 343.387 1.284 0 40 EDAB O=C(CCn1nc2ccccn2c1=O)Nc1ccc2c(c1)OCO2 69367378 ZBGRNZAXEYKJRE-UHFFFAOYSA-N 326.312 1.254 0 40 EDAB CN1C[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1=O 67361416 RXUVWKSWRNRYSH-SJORKVTESA-N 329.444 1.493 0 40 EDAB COC(=O)C1CCN(C(=O)Cn2ccc(-c3ccccc3)n2)CC1 69777420 XASNGNSJRFEWQL-UHFFFAOYSA-N 327.384 1.962 0 40 EDAB Cc1nccn1[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1 69872805 CQCLKOTVEPMNSO-AWEZNQCLSA-N 337.383 1.677 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCCCN1C 72295739 DFQOOEYKRRTMMD-HKUYNNGSSA-N 344.503 1.798 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)n1 75128664 APOZZRCYQBKVOM-LLVKDONJSA-N 342.325 1.609 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(F)c(Br)c1 96436412 ANYATCOLPFFBQX-SSDOTTSWSA-N 326.187 1.901 0 40 EDAB COCCn1cc2c(n1)[C@@H](NC(=O)c1cc(C)c(C(=O)O)o1)CCC2 1606931782 SMTKCIVPIVKBGD-LBPRGKRZSA-N 347.371 1.937 0 40 EDAB CCOc1ccc(CC(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)nc1 1615621993 XYROVYYYWZGQQU-SFHVURJKSA-N 347.459 1.592 0 40 EDAB O=C(c1cccc2c1CCCC2)N1CCC(O)(Cn2ccnn2)CC1 1615626234 GDYGTEQREGVWMP-UHFFFAOYSA-N 340.427 1.824 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)CC(N)=O)cc1 12930760 DCCSFUXFCISXFK-LBPRGKRZSA-N 327.450 1.071 0 40 EDAB COCCC(=O)N(C)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19586622 CQIPWXYQAFYJRC-UHFFFAOYSA-N 346.427 1.985 0 40 EDAB CCn1c(=O)oc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc21 19936738 ASSJTKVTZACJHT-JTQLQIEISA-N 326.374 1.072 0 40 EDAB C[C@@H](NC(=O)COC(=O)c1nccnc1N)c1ccc(Cl)cc1 5040536 SRFGZMBOAFGSNW-SECBINFHSA-N 334.763 1.746 0 40 EDAB CCOc1ccc(NC(=O)[C@H](C)SCc2nc(N)nc(N)n2)cc1 9954696 LPBSKGVNKRDQKG-VIFPVBQESA-N 348.432 1.695 0 40 EDAB O=C1NCCCC[C@@H]1Sc1nnc(NC[C@H]2CCCO2)s1 11496806 SGTPEOWYXXQNPO-ZJUUUORDSA-N 328.463 1.890 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1888890873 MDQNKSLQBCKQPE-STQMWFEESA-N 334.383 1.561 0 40 EDAB CCCn1ccc(C(=O)N2CCC[C@H](Cc3nccnc3N)C2)n1 1848353839 UQIPPVOOKGTVPP-CYBMUJFWSA-N 328.420 1.760 0 40 EDAB COCC(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1 1775964104 SACCMSGMGNNMNF-ZDUSSCGKSA-N 344.371 1.196 0 40 EDAB biogenic,in-vitro COCCn1cc2c(n1)[C@@H](CNC(=O)C1CC(F)(F)C1)OCC2 1614932541 BBDAEFUJGWBAJH-GFCCVEGCSA-N 329.347 1.305 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@H]2Cc3nc(N4CCCC4)ncc3[C@H]2C1 1565545791 MGDXAOHHELTMPL-DHWSYENGSA-N 340.427 1.067 0 40 EDAB O=C(CCc1cncnc1)N1CCC[C@]2(C[C@@H](n3ccnc3)CO2)C1 1565549098 PUXRDNLWHAPHNF-AEFFLSMTSA-N 341.415 1.629 0 40 EDAB CN(C)CCN1C(=O)CC[C@@]12CCCN(C(=O)C1(F)CC1)CC2 1565550867 HEZJOFMGXRYBSC-MRXNPFEDSA-N 325.428 1.424 0 40 EDAB COc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(C(C)=O)CC1 11694307 CZQVAPOQZNTSOH-UHFFFAOYSA-N 346.362 1.324 0 40 EDAB Cc1ccc(-c2cc(=O)n(CC(=O)NC[C@@H]3CCCO3)cn2)cc1 13806622 DPTUTIBTHKNLDS-HNNXBMFYSA-N 327.384 1.514 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(Cc1cn[nH]c1)C2 2055814174 FCWUHYWRNXRVOQ-MRXNPFEDSA-N 331.445 1.394 0 40 EDAB O=C(NCc1nnc(SCCN2CCOCC2)o1)c1ccccc1 22628060 MVXBFTBWEQFQGX-UHFFFAOYSA-N 348.428 1.424 0 40 EDAB Cc1nc(N2CCO[C@H](C(=O)N3CCCCC3)C2)c2ccncc2n1 2086861252 ZLSBMROSLIEXKH-INIZCTEOSA-N 341.415 1.551 0 40 EDAB COc1cccc(OCC(=O)Nc2nnc(-c3ccnn3C)o2)c1 38661769 LZNPGVBWPOQVFM-UHFFFAOYSA-N 329.316 1.496 0 40 EDAB Cn1nc(C(=O)N[C@@H](c2cccnc2)C2CCOCC2)ccc1=O 225620389 OLYUDUOOVFXJJF-MRXNPFEDSA-N 328.372 1.073 0 40 EDAB O=S(=O)(NCC1CCN(c2ncccn2)CC1)c1cccnc1 43955385 GWKZIQBHPHHCTI-UHFFFAOYSA-N 333.417 1.067 0 40 EDAB O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)NC[C@@H]1CCCO1 49026248 XSMDATYAZCNZLJ-AWEZNQCLSA-N 337.807 1.877 0 40 EDAB Cn1c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c(=O)n(C)c1=S 20411154 YLYASIIZEVKKDL-CQSZACIVSA-N 342.424 1.875 0 40 EDAB biogenic COc1ccc(C(=O)N(C)C)cc1NC(=O)NCCNC(C)(C)C 71920220 KVPQBBNBCWTTRI-UHFFFAOYSA-N 336.436 1.907 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCCN2CCC[C@H](C)C2)c1 40528139 QAKNUXSAOAYHAF-ZDUSSCGKSA-N 342.461 1.714 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3nncn3C)C2)c1 40513465 MHVJFPXZFZUTGK-CQSZACIVSA-N 348.428 1.586 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)N[C@H]2CCc3ccccc32)CC1 40501141 XHOKLUMUVHIWGD-HNNXBMFYSA-N 337.445 1.397 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2C)cc1 40553517 CNAWQWWZWFHNFQ-LBPRGKRZSA-N 325.434 1.679 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccc(N)cc2)n1 1372665 OZBMQTDVUDXDGI-GFCCVEGCSA-N 334.383 1.900 0 40 EDAB CCCn1nnnc1COC(=O)CCn1c(=O)oc2ccccc21 7547179 OQWLJZLACQJGBA-UHFFFAOYSA-N 331.332 1.125 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)CCn1cccn1 100141346 QDIMBDQVSDIDPJ-ZFWWWQNUSA-N 336.399 1.913 0 40 EDAB CCn1c(=O)[nH]c(=O)c2c(N)c(C(=O)c3ccccc3OC)sc21 2659305 NDRCUJGTMKHWMY-UHFFFAOYSA-N 345.380 1.593 0 40 EDAB C[C@@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 52856894 PVXFNFONZDSVIN-ZYHUDNBSSA-N 346.399 1.261 0 40 EDAB O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1CC(=O)N(C2CC2)C1 52901292 GMQGRAWORGFFGX-LBPRGKRZSA-N 348.374 1.362 0 40 EDAB O=C(CN(Cc1cccc(F)c1)C[C@H]1CCCO1)NC(=O)NC1CC1 53230109 VCOXDGXYUIXGST-MRXNPFEDSA-N 349.406 1.795 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1C 20008417 PCKMZPHEYLJRCX-HNNXBMFYSA-N 348.424 1.379 0 40 EDAB O=C(Cn1nc(-c2ccco2)oc1=O)N1CCO[C@H]2CCCC[C@@H]21 53650176 VRDQCFIMGWSQEG-RYUDHWBXSA-N 333.344 1.266 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1 810316 DIMPCSNZRNGQNZ-JTQLQIEISA-N 342.804 1.916 0 40 EDAB O=C(OCc1ccccn1)c1ccccc1CN1C(=O)CNC1=O 23038579 JLKHNIKLKXQCQJ-UHFFFAOYSA-N 325.324 1.490 0 40 EDAB CN(C(=O)C1=COCCO1)[C@@H]1CCN(c2ccccc2Cl)C1=O 110914083 ZLSLALXWBGDGRQ-CYBMUJFWSA-N 336.775 1.792 0 40 EDAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccncc2)C1=O 23751492 KQYYJHYBJJABBO-KRWDZBQOSA-N 342.330 1.626 0 40 EDAB Cc1cc(CN2CCN(c3ncc(C(N)=O)cc3Cl)CC2)no1 47087857 WAFFWOWSPAFTJP-UHFFFAOYSA-N 335.795 1.453 0 40 EDAB COc1ccc(C)cc1CN1CCN(C(=O)c2ccc[nH]c2=O)CC1 24083531 NBKHDNUJAGPPMX-UHFFFAOYSA-N 341.411 1.650 0 40 EDAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c(C)c1 62720377 RZTWIRBCENJDMF-NSHDSACASA-N 339.399 1.828 0 40 EDAB C[C@H](NC(=O)NCCn1ccnc1)c1ccc2c(c1)CCC(=O)N2 43310975 OJMDDZRTZPMXHQ-LBPRGKRZSA-N 327.388 1.828 0 40 EDAB C[C@@H](O)CN1CCC(CN(C)[C@H](C)C(=O)NCC(F)(F)F)CC1 106786781 GGRQORKFGRDLBE-VXGBXAGGSA-N 339.402 1.078 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 47586683 ACOIBBFSSMTASL-LLVKDONJSA-N 334.420 1.861 0 40 EDAB Cc1cccc(C(=O)N[C@H](C(=O)NCC(=O)NC(C)(C)C)C(C)C)c1 21938581 SZGHTKVCHBSNML-INIZCTEOSA-N 347.459 1.780 0 40 EDAB NC(=O)N[C@H](CC(=O)NC[C@@H]1Cc2ccccc2O1)c1cccs1 47687519 WRBCHKGEKFYOJN-QWHCGFSZSA-N 345.424 1.968 0 40 EDAB C[C@H]1CN(C(=O)[C@H](C)NC[C@@H]2CCCN2c2cccnn2)C[C@@H](C)O1 106906326 CNQWNDBIQRPXSY-FZKCQIBNSA-N 347.463 1.059 0 40 EDAB O=C(Nc1c[nH]ccc1=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 52966020 QWSGDSUCYDYYQO-UHFFFAOYSA-N 346.286 1.921 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)CC1 100267904 HEPJPRFOZWRCOJ-IRXDYDNUSA-N 338.404 1.409 0 40 EDAB Cc1c(C)c(C)c(C(=O)OCc2cc(=O)n(C)c(=O)n2C)c(C)c1C 10620573 IPFYJGNLFGSDHW-UHFFFAOYSA-N 344.411 1.983 0 40 EDAB Cc1noc(CCCC(=O)N2CCC(c3nnc4n3CCC4)CC2)n1 57146047 XANGIHAQUOYBPZ-UHFFFAOYSA-N 344.419 1.645 0 40 EDAB O=S(=O)(N[C@H]1CCCN(C[C@H]2CCOC2)C1)c1cccc(F)c1 108348005 YWPMSMNVOYQASJ-HIFRSBDPSA-N 342.436 1.605 0 40 EDAB CNC(=O)CNC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 44330703 ZGMMMCJOAFFCSP-UHFFFAOYSA-N 326.400 1.617 0 40 EDAB C[C@H](CCNC(=O)N1CCCN(c2ccccn2)CC1)[S@@](C)=O 108500248 DJTHWTKNPRBROO-FATZIPQQSA-N 338.477 1.460 0 40 EDAB COc1ccc(C(=O)OCC(=O)N2CCNC2=O)c2ccccc12 12579090 ZAJGVRWHFZKVSQ-UHFFFAOYSA-N 328.324 1.557 0 40 EDAB CC(=O)NCCCNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 44706985 VQFURCAZNXCWGR-UHFFFAOYSA-N 330.388 1.233 0 40 EDAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)CCNC(=O)[C@@H]1C[C@@H]1C 44736102 TYOIKVVISOMQJJ-SWLSCSKDSA-N 343.427 1.988 0 40 EDAB COc1ccc(CC2CCN(CC(=O)N3CCNC3=O)CC2)cc1 58197203 FUNXQJNNZYXXCF-UHFFFAOYSA-N 331.416 1.502 0 40 EDAB Cc1cnc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cn1 44889278 QYWRTLOOIYTNEW-UHFFFAOYSA-N 336.399 1.391 0 40 EDAB Cc1c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)oc2ccc(F)cc12 44894578 UVUVPIDYLBEMNU-UHFFFAOYSA-N 345.330 1.695 0 40 EDAB C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NCc1ccc(F)cc1 7776250 NOVHULYPIQTQKM-VIFPVBQESA-N 336.392 1.842 0 40 EDAB CCNC(=O)CN1CCCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 58295510 VAGBSVFFTJWFJE-UHFFFAOYSA-N 343.471 1.388 0 40 EDAB CNC(=O)CSc1nnc(-c2ccncc2)n1CC(F)(F)F 58277907 JUMIVXLZJOHMSG-UHFFFAOYSA-N 331.323 1.741 0 40 EDAB O=C(NCc1ccc(-n2cncn2)nc1)N(C[C@H]1CCOC1)C1CC1 44968720 WPWUSQYFTYZHFW-CQSZACIVSA-N 342.403 1.373 0 40 EDAB COc1ncccc1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 44952862 YOFNWUVPXLYKQZ-UHFFFAOYSA-N 341.415 1.167 0 40 EDAB C[C@H](OC[C@@H](O)CNc1ncnc2c1cnn2C)c1ccccc1 44976125 ITIBOGRWEYXSTR-JSGCOSHPSA-N 327.388 1.914 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)Cc1ccccc1C(=O)O 44980264 HMJNBWWJEXDQQQ-UHFFFAOYSA-N 328.324 1.674 0 40 EDAB biogenic CN(Cc1ccc(F)c(F)c1)C(=O)CCc1nc(-c2nc[nH]n2)no1 58324061 IWQFMIBIZPYDCG-UHFFFAOYSA-N 348.313 1.724 0 40 EDAB O=C(NCCCn1cncn1)c1ccc(Br)cc1O 58332663 WUKUXXOLFVXYBL-UHFFFAOYSA-N 325.166 1.566 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2cscn2)CC1 58341520 GWPUCOLVFFGOCO-UHFFFAOYSA-N 331.463 1.163 0 40 EDAB Cc1cnn(CC(=O)N2CCC(C(=O)NCc3ccco3)CC2)c1 58382051 FMFNMTRLJFBZOR-UHFFFAOYSA-N 330.388 1.340 0 40 EDAB CCN(CC)[C@@H](CNC(=O)c1cnc2n(c1=O)CCS2)C(C)C 48265326 SIDSONBOUMBGFY-ZDUSSCGKSA-N 338.477 1.445 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(S(C)(=O)=O)cc1 3413823 SYRKKBUMXHFKRV-CYBMUJFWSA-N 327.402 1.408 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(C(N)=O)ccc1OC 68545220 CEODBNQAGOARHA-NXEZZACHSA-N 336.392 1.219 0 40 EDAB CN(CCc1nc2ccccc2c(=O)[nH]1)Cc1nnc2ccccn12 81009009 JRZCELVJGVZGLG-UHFFFAOYSA-N 334.383 1.640 0 40 EDAB Cc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c(O)c1 12902495 CXZGLFLNQFDSBJ-UHFFFAOYSA-N 339.351 1.733 0 40 EDAB Cc1ccc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1C 12943142 OCJFCLFHIXKPAQ-UHFFFAOYSA-N 346.474 1.006 0 40 EDAB COc1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1OC 13058179 MQAJJSWPPRPXFO-UHFFFAOYSA-N 326.374 1.787 0 40 EDAB C[C@H](OC(=O)CNC(=O)OC(C)(C)C)C(=O)N1CCCCCC1 64441051 HJDZXQSVWZGOHE-LBPRGKRZSA-N 328.409 1.845 0 40 EDAB COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)NCCO)cc1 13659460 CMNHGHYLSGQFSQ-SDNWHVSQSA-N 330.340 1.168 0 40 EDAB O=C(COc1cc(F)ccc1F)NC1CCN(c2ncccn2)CC1 69812935 JZMWLEXRMMKRQD-UHFFFAOYSA-N 348.353 1.919 0 40 EDAB Cn1c(NC(=O)OCC(Cl)(Cl)Cl)cc(=O)n(C)c1=O 6219231 GPQVBHXUHHHIAW-UHFFFAOYSA-N 330.555 1.003 0 40 EDAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)NC2CCCC2)cc1 5212630 PEXAIRVWLHRCND-UHFFFAOYSA-N 348.399 1.417 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 8234605 YTKPMPVTKGMKAG-UONOGXRCSA-N 336.432 1.579 0 40 EDAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C1 4476698 GYKICQSNSDLKOX-ACJLOTCBSA-N 329.400 1.712 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@H]2CCS(=O)(=O)C2)c1 70008034 COTIQNXAVRKSST-UONOGXRCSA-N 325.434 1.007 0 40 EDAB CC(=O)N1C[C@@H](C(=O)N[C@@H]2CCc3nccn3C2)Oc2ccccc21 65474099 IUELXAWTSQTHKD-CJNGLKHVSA-N 340.383 1.128 0 40 EDAB O=C(CCc1nccs1)N1CCN(C[C@@H](O)c2ccccc2)CC1 70003948 AFEKBSDAWCPIEY-MRXNPFEDSA-N 345.468 1.954 0 40 EDAB Cc1noc(C)c1CN1CCc2ncnc(N3CCOCC3)c2C1 65520768 BXLQNNMLBSBUHU-UHFFFAOYSA-N 329.404 1.476 0 40 EDAB NC(=O)Cn1cc(NC(=O)N[C@H]2CCSc3ccccc32)cn1 65552665 PJIGXDUEBHLYSL-LBPRGKRZSA-N 331.401 1.727 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)O)C(C)C)cc1 4668556 CKLUUQAWEMUVLF-CYBMUJFWSA-N 328.390 1.423 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(CCC(=O)Nc2ccccc2F)C1 69416506 YREYKQIMPPERGD-GFCCVEGCSA-N 343.424 1.168 0 40 EDAB COc1ccc(CC[C@H](C)NC(=O)NCCN2CCOCC2)cc1 67003801 LJCSSDVOSPTJRX-HNNXBMFYSA-N 335.448 1.648 0 40 EDAB CCNC(=O)CN1CCN(Cc2nc3c(F)cccc3n2CC)CC1 69565244 NVDWHMZUNIGHDA-UHFFFAOYSA-N 347.438 1.449 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 8938504 LZOFCGWYIFPYMP-KDOFPFPSSA-N 329.400 1.901 0 40 EDAB O=C(CCNC(=O)N1CCc2cc(F)ccc2C1)N1CCOCC1 93292328 CHWWTTGZLKUQFE-UHFFFAOYSA-N 335.379 1.142 0 40 EDAB CC(=O)N(CCS(=O)(=O)N1CCCCC1)Cc1ccncc1 9304488 WALPQGFLHBNFFU-UHFFFAOYSA-N 325.434 1.246 0 40 EDAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)NC(=O)NC1CC1 9479307 BUDCBMNZKUDYNU-VIFPVBQESA-N 331.401 1.941 0 40 EDAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)NC[C@@H]1CCCO1 9502617 AJXAWHZTQVFSPN-WPRPVWTQSA-N 328.463 1.888 0 40 EDAB Cc1cc(C)n2nc(NC(=O)N[C@@H](C)CC(=O)OC(C)(C)C)nc2n1 72275173 GEKBVBZRJBJEPD-JTQLQIEISA-N 348.407 1.983 0 40 EDAB Cc1nnc(CN2CCCN(C(=O)COc3ccccc3)CC2)n1C 71824816 SJIMWDRPLDNRMZ-UHFFFAOYSA-N 343.431 1.237 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)c1 71870928 KGSMWWOHPWNJAA-AWEZNQCLSA-N 329.404 1.298 0 40 EDAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)C(=O)Nc1ccccc1 83722419 UBRUTAOJOIQXDG-RISCZKNCSA-N 342.403 1.748 0 40 EDAB C[C@](O)(CNC(=O)Nc1ccccc1Cl)CN1CCOCC1 72296062 ULFUVIWYDYPUOZ-HNNXBMFYSA-N 327.812 1.545 0 40 EDAB CCCc1cc(N2CCn3c(nnc3C(C)C)C2)n2ncnc2n1 72276467 KGGCSJGTDAZNBW-UHFFFAOYSA-N 326.408 1.812 0 40 EDAB COc1cccc(OCCNc2cc(N3CCC[C@H]3CO)ncn2)c1 72276080 KSJSSKRAJXCOKO-AWEZNQCLSA-N 344.415 1.937 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2cc(C(C)C)no2)CCN1C[C@@H](C)O 72279742 DEKCVFIMXHVAIC-ZIAGYGMSSA-N 338.452 1.514 0 40 EDAB NC(=O)CN(CC(=O)NC(=O)Nc1ccccc1)c1ccccc1 72311954 RBIMWHLQRJWOLZ-UHFFFAOYSA-N 326.356 1.327 0 40 EDAB CCOc1ccc(NC(=O)N2CCC(O)(C(=O)OC)CC2)cc1F 97230568 KBSNUBSMYRWAPA-UHFFFAOYSA-N 340.351 1.756 0 40 EDAB CCc1noc(CCCC(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)n1 76051899 GGGGTKKCZYZFID-ZIAGYGMSSA-N 336.436 1.134 0 40 EDAB O=C(NCC1CCS(=O)(=O)CC1)N[C@H]1CCCc2occc21 95440228 UISHJHHBWDNOQS-ZDUSSCGKSA-N 326.418 1.781 0 40 EDAB C[C@@H]1C[C@@H](NC(=O)c2cc(S(C)(=O)=O)ccc2F)CN1C1CC1 95439785 DKOLGDLEXMLBCX-GHMZBOCLSA-N 340.420 1.584 0 40 EDAB CC1(C)CN(c2ccc3nnc(C(F)(F)F)n3n2)CCS1(=O)=O 95410733 KMKIUHQXHRXCKS-UHFFFAOYSA-N 349.338 1.157 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1F)C1CCCC1 77843461 XIVICPXLKDOXLC-MRXNPFEDSA-N 326.343 1.961 0 40 EDAB Cc1cc(NC(=O)CN[C@H](C)c2ccc(-n3ccnn3)cc2)n(C)n1 95986068 UAHWSNNDDHFPAD-CYBMUJFWSA-N 339.403 1.599 0 40 EDAB Cc1cc(S(=O)(=O)NCCN2CCOC[C@H]2C)c(F)cc1F 95946048 KRBCXZTZRKYHFA-LLVKDONJSA-N 334.388 1.272 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)o1 89558185 YRRFTUMVFHAONZ-JTQLQIEISA-N 326.299 1.739 0 40 EDAB Cc1nc(CCNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)n[nH]1 89567357 ZUDWKOXEXLWRGG-UHFFFAOYSA-N 339.403 1.553 0 40 EDAB Cc1cc(C)c(CNC(=O)N[C@H]2COc3ccccc3C2)c(=O)[nH]1 75117963 SORVEWYJBPVBDV-CQSZACIVSA-N 327.384 1.795 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)CN1CCO[C@H](Cn2cncn2)C1 75132059 PGMHLPSKKCDVKP-IRXDYDNUSA-N 346.431 1.036 0 40 EDAB COCCN(CCOC)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75123234 SNBQLIOCUWPNEI-UHFFFAOYSA-N 337.298 1.520 0 40 EDAB CC1CCN(CCNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 79983569 QNLDWBMCTNHNNP-MRXNPFEDSA-N 335.452 1.916 0 40 EDAB CCCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 34802341 VWRKADXAGIKCOW-UHFFFAOYSA-N 326.418 1.174 0 40 EDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(C)=O)c1 32639803 QZORIMHNNZCJGA-ZIAGYGMSSA-N 338.454 1.984 0 40 EDAB Cc1ccc(CN2Cc3ccnn3[C@@H](C(=O)N3CC(F)(F)C3)C2)o1 306136650 PZFWSWABNTTXJF-CQSZACIVSA-N 336.342 1.819 0 40 EDAB O=C(O)C1(CNS(=O)(=O)c2cnn(-c3ccccc3)c2)CCCC1 548221634 ZNDXUTJQSYLMKK-UHFFFAOYSA-N 349.412 1.796 0 40 EDAB CCOc1ccc(N([C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 408912168 PGNLRTRBHUKWTQ-GFCCVEGCSA-N 328.434 1.764 0 40 EDAB Cc1nc(C)c(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)s1 217613658 UCSKURDYGPMUJE-UHFFFAOYSA-N 345.428 1.543 0 40 EDAB COCCn1ccc2c(C(=O)N[C@H]3CCS(=O)(=O)C3)cccc21 79490020 KNMRAOMPXWYNTI-LBPRGKRZSA-N 336.413 1.205 0 40 EDAB CN(C)CCOc1ccc(C(=O)O)cc1I 39951809 ZEJMBUNEALTFSF-UHFFFAOYSA-N 335.141 1.930 0 40 EDAB Cc1noc(CN2CCN(C(=O)c3cc4ccccn4c3)CC2)n1 73232647 BIJNGJJHCPWEBW-UHFFFAOYSA-N 325.372 1.589 0 40 EDAB COCCNc1ccc(C[C@@H]2CCCN(Cc3c[nH]cn3)C2)nn1 72366100 YYFDSVMXNXCFBS-AWEZNQCLSA-N 330.436 1.713 0 40 EDAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccc(C)c(C)c2)n1 211098230 YGOTXJFQFOWXJW-UHFFFAOYSA-N 334.445 1.946 0 40 EDAB COc1cccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)c1 211098861 DDIUPODAGAQMBE-UHFFFAOYSA-N 336.417 1.338 0 40 EDAB CN(CC(=O)Nc1cccc(Cn2cnnc2)c1)[C@@H]1CCSC1 126469456 VGRKQMGSWSHTQW-OAHLLOKOSA-N 331.445 1.702 0 40 EDAB CCc1nnc(Nc2cccc(C3CCN(C(=O)CO)CC3)n2)s1 72376166 GSFQGIHHIYJCDL-UHFFFAOYSA-N 347.444 1.937 0 40 EDAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccccc2)[C@H]1S(C)(=O)=O 218010532 BIHAXRFYSAOILU-QWHCGFSZSA-N 340.397 1.310 0 40 EDAB CC[C@@H](C(=O)N1[C@@H](C(=O)O)COC12CCN(C)CC2)c1ccccc1 71980016 ZTTQJFDDYPUIGD-HZPDHXFCSA-N 346.427 1.914 0 40 EDAB COc1cc(OC)c2[nH]cc(C(=O)NC[C@H]3CCCO3)c(=O)c2c1 35289160 TUAVKVWOQSZZOR-SNVBAGLBSA-N 332.356 1.454 0 40 EDAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cnn(C)c1 79189335 OZOYSSXBZCUWEY-XJKSGUPXSA-N 340.335 1.983 0 40 EDAB biogenic COC(=O)c1cc(OC)ccc1OC(=O)C[C@@H]1CCS(=O)(=O)C1 78442924 FOQQWWYSLZFMGZ-JTQLQIEISA-N 342.369 1.212 0 40 EDAB O=C(CN1CCCC1=O)NCC1CCN(Cc2cccs2)CC1 61568685 VJILWUWBFVIKFD-UHFFFAOYSA-N 335.473 1.699 0 40 EDAB C[C@]1(c2ccccc2)CCCN(CCc2cn(CC(=O)O)nn2)C1 563277481 MTBDOLNWJKTTRJ-SFHVURJKSA-N 328.416 1.959 0 40 EDAB CCCOC(=O)[C@]1(C)CC(c2cnc(N3CCOCC3)nc2)=NO1 226084930 JLXCCHYGZFCPET-INIZCTEOSA-N 334.376 1.150 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)c1ccc(F)cc1-n1cnnn1)C(=O)OC 80355891 BDKHJQNILLBFIS-TVQRCGJNSA-N 335.339 1.119 0 40 EDAB O=C(/C=C\c1ccccc1F)NCc1nc(-c2ccc[nH]c2=O)no1 225804606 JSFPGRFRTMDEDD-FPLPWBNLSA-N 340.314 1.894 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C 96413164 PQKQHGYJVCMSEB-HNNXBMFYSA-N 338.473 1.544 0 40 EDAB Cc1ccnc(NC(=O)Cc2ccc(OCc3nnnn3C)cc2)c1 96101402 UMEIPJHMZFPCPD-UHFFFAOYSA-N 338.371 1.674 0 40 EDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)C1CCOCC1 96045387 HLNMPDJVDNQCCJ-HNNXBMFYSA-N 334.420 1.187 0 40 EDAB CCN1CCN(c2ccc(C(=O)N3CCc4[nH]ncc4C3)cc2)CC1 96436016 JHEWQTQKAAFWRL-UHFFFAOYSA-N 339.443 1.750 0 40 EDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCN(C(=O)NC3CC3)C2)C1 96226055 LDHOFRWOIRRSCY-INIZCTEOSA-N 329.360 1.113 0 40 EDAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)C2 90168592 YFIZGDNIIVJWMS-VIFPVBQESA-N 345.346 1.902 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)CO[C@H](COCc1cccnc1)C2 96106153 CEKXGJNDIMUMFI-HNNXBMFYSA-N 340.445 1.429 0 40 EDAB CC(=O)N1CCN(Cc2nc3ccccc3c(=O)n2C)C(C)(C)C1 96493135 SLSLUWMESRVLQL-UHFFFAOYSA-N 328.416 1.376 0 40 EDAB CC(C)N1C[C@H](C(=O)O)CN2CCN(Cc3nccs3)C[C@@H]2C1 96064130 NZQQKDQPAIRPSZ-ZIAGYGMSSA-N 338.477 1.054 0 40 EDAB CN(CCCNC(=O)NC[C@](C)(O)c1cnn(C)c1)c1ccccc1 96421407 QPWNWVCUYRQBOS-SFHVURJKSA-N 345.447 1.453 0 40 EDAB C[C@H](CNC(=O)NC[C@H]1CN(C)CCN1C)Sc1ccccc1 96440126 ORXRRIIBIMFKOO-CABCVRRESA-N 336.505 1.712 0 40 EDAB O=C(Cc1ccc(OCc2noc3c2CCCC3)cc1)NCCO 96412932 YAFLJXGISJWTOE-UHFFFAOYSA-N 330.384 1.783 0 40 EDAB CNC(=O)CO[C@H]1CO[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 96222294 GCAKOKMTHCMGRE-WBMJQRKESA-N 338.429 1.274 0 40 EDAB CC(CO)(CO)NC(=O)Nc1ccc(Br)c(Cl)c1 92822695 PXROJBXDOLWNMM-UHFFFAOYSA-N 337.601 1.967 0 40 EDAB Cc1cc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2cccnc2)no1 96041692 RVRYAVLMQQSDON-ARFHVFGLSA-N 329.356 1.829 0 40 EDAB Cc1c(C(=O)N2CC[C@@](O)(c3cnn[nH]3)C2)cnn1C1CCCC1 583619141 VUKPNTDDVWKIMN-INIZCTEOSA-N 330.392 1.158 0 40 EDAB COc1cc(N2CC3(C2)OCC[C@@H]3COCc2ccncc2)ncn1 247871483 DOANQCAZNHKOBD-OAHLLOKOSA-N 342.399 1.692 0 40 EDAB Cc1noc(C)c1CCCNC(=O)NC[C@@H](C)N1CCOC[C@H]1C 245281342 ATNOBHLFFXZCLS-CHWSQXEVSA-N 338.452 1.632 0 40 EDAB CO[C@@H](C)CS(=O)(=O)Nc1cccc2c1CCCN2C(N)=O 252490200 KLTQJEHKRUUWDF-JTQLQIEISA-N 327.406 1.295 0 40 EDAB CC(C)Nc1nc(NCCO)nc(N2CCC(n3ccnc3)CC2)n1 252491505 LNRGYTJEMWGCPN-UHFFFAOYSA-N 346.439 1.134 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)Cc1cc(Cl)cc2c1OCC2 542612005 IFKOGYRZRYAGAI-LBPRGKRZSA-N 338.835 1.654 0 40 EDAB CCN(Cc1ccccn1)c1cc(N2CCC[C@@H]2C(N)=O)ncn1 585092574 FORATBHARCUPTL-CQSZACIVSA-N 326.404 1.352 0 40 EDAB O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1C[C@H]2C[C@H](O)CC[C@H]2C1 585088789 STPHAWVNPAJIHL-WJFTUGDTSA-N 343.471 1.913 0 40 EDAB Cn1ccnc1C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1 257234075 GRYIHAOOBOTFDV-HNAYVOBHSA-N 338.411 1.699 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C1CCN(C)CC1 257260630 LDRKNYWWLFIMTB-SFHVURJKSA-N 331.460 1.995 0 40 EDAB Cc1nc(Nc2nccs2)cc([C@H]2CCN(CC(=O)N(C)C)C2)n1 257232240 GJYCUPVBDUZPAQ-LBPRGKRZSA-N 346.460 1.863 0 40 EDAB CCCc1cc(C(=O)N2CCO[C@H](c3nccnc3NC)C2)no1 257283818 OZYMNRXXILAWCW-ZDUSSCGKSA-N 331.376 1.673 0 40 EDAB Cc1nccn1CC(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257323622 WLDAGXKNCWIZSU-OAHLLOKOSA-N 329.404 1.029 0 40 EDAB CNc1cc([C@H]2CCCN2C(=O)c2cc(OC)nc(OC)n2)ccn1 257298505 RLZODJCIKDELPW-CYBMUJFWSA-N 343.387 1.908 0 40 EDAB CCN1CCN(C(=O)c2nccnc2C[C@H]2CCCN(C)C2)CC1 257331927 XUXKXIVHNRBHDL-OAHLLOKOSA-N 331.464 1.139 0 40 EDAB NC(=O)[C@@H](NC(=O)c1cncc(Br)c1)c1ccccc1 53945009 RKWYOICXQUHJQK-LBPRGKRZSA-N 334.173 1.801 0 40 EDAB Cc1ccc(C2=NN(/C=C3\SC(=O)NC3=O)[C@@H](C(=O)O)C2)cc1 256027851 GIFSAWNRPQAZGR-HBZGRHIISA-N 331.353 1.682 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)c2cccnc2)C1 257208296 BLNLTTCYQRVMIM-GFCCVEGCSA-N 348.428 1.303 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)C[C@H](N(C)c1ccc(F)cc1)CO2 257290365 QCRJLRRAVDMAQI-KRWDZBQOSA-N 349.450 1.974 0 40 EDAB CCc1nnsc1C(=O)NCc1ccnc([C@@H]2CCCOC2)n1 257293908 QRRDBVSZNQGAKX-SNVBAGLBSA-N 333.417 1.715 0 40 EDAB NC(=O)[C@H]1CN(CCCc2ccccc2)CCN(C2CCOCC2)C1 257272559 NCWGCIWSCIUXFB-SFHVURJKSA-N 345.487 1.517 0 40 EDAB CCO[C@@H](CS(=O)(=O)N1CCc2cc(C(=O)O)ccc21)C1CC1 624815837 FXEQYZGXIHQJQU-HNNXBMFYSA-N 339.413 1.892 0 40 EDAB COc1ccc(S(=O)(=O)NC(=O)c2cncc(N(C)C)c2)c(C)c1 1615058768 WGYOUGUOEVTCRP-UHFFFAOYSA-N 349.412 1.583 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)CCn1nc(C)cc1C 585276618 BSDGNPWKGONRIH-KRWDZBQOSA-N 336.436 1.034 0 40 EDAB CNC(=O)[C@@H]1COC2(CN(Cc3ccc(C)s3)C2)CN1CC1CC1 585109360 LWAOAPIHLSYSLL-INIZCTEOSA-N 349.500 1.468 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)c3cnccn3)CCO2)c1 585275820 JZDKJWBGJGETDB-SFHVURJKSA-N 327.384 1.231 0 40 EDAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)c1cccc(NC)n1 585275891 AUPVKWMBRIQVDC-KBPBESRZSA-N 334.420 1.269 0 40 EDAB O=C(NC1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1O 56808817 VPILBWXAWXRLIG-UHFFFAOYSA-N 331.416 1.209 0 40 EDAB NC(=O)C1CCN(CC(=O)Nc2nc(-c3ccco3)cs2)CC1 51200102 ZUXQRNIZZIIWEL-UHFFFAOYSA-N 334.401 1.539 0 40 EDAB Cc1nn(CC(C)C)c(N(C)C)c1CNCC(=O)NCc1ccco1 69738451 KIGYIYBETFEQHV-UHFFFAOYSA-N 347.463 1.913 0 40 EDAB COc1cc2c(cc1CNC[C@@H]1CN(C3CC3)CCO1)O[C@H](C)C2 69843171 PAIFWKRGGDCOSZ-CXAGYDPISA-N 332.444 1.971 0 40 EDAB C#CCOc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1Br 8091566 XVYBBCPIFLCMIJ-DHZHZOJOSA-N 335.157 1.984 0 40 EDAB Cn1ccnc1CNC(=O)/C=C/S(=O)(=O)c1ccc(Cl)cc1 14000504 TZMBBRJLOZXDGF-RMKNXTFCSA-N 339.804 1.677 0 40 EDAB CC(C)CN1C[C@@H](C(=O)NCc2ccccc2-n2ccnc2)CC1=O 19447129 LQIYXGOUIWNBCZ-INIZCTEOSA-N 340.427 1.993 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@H]21 19526793 GBRAYANSGPYTCE-UYAYXHRUSA-N 348.374 1.413 0 40 EDAB O=C(NCC1CCN([C@H]2CCOC2)CC1)c1noc2c1CCCC2 575615256 BXLHUXJDWZMFLQ-AWEZNQCLSA-N 333.432 1.784 0 40 EDAB O=S(=O)(CCC(F)(F)F)NC1CCN(c2cnsn2)CC1 585148702 BYVNEZGBMKROPB-UHFFFAOYSA-N 344.384 1.379 0 40 EDAB O=C([C@@H]1CN(c2ccncc2Cl)CCO1)N1CCSCC1 1888882059 KPEDBRAZLWRCMF-ZDUSSCGKSA-N 327.837 1.516 0 40 EDAB c1cc(N2CCOCC2)nc(N2CCN(c3nccs3)CC2)n1 1889077200 DTJRJOGEZAUEJW-UHFFFAOYSA-N 332.433 1.096 0 40 EDAB CS(=O)(=O)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889128701 AYXLSPLJEQHGCH-GXSJLCMTSA-N 335.351 1.571 0 40 EDAB COc1ccnc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)n1 1776008605 JPJMFYAQLPXIIV-UHFFFAOYSA-N 349.398 1.664 0 40 EDAB Cn1c(N)nnc1SCC(=O)Nc1ccc(Br)cc1 28250783 OEQZKNGSACRHJI-UHFFFAOYSA-N 342.222 1.891 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037838719 YDAOBCFPIXLKDG-UHFFFAOYSA-N 349.406 1.112 0 40 EDAB O[C@H]1CCCC[C@H]1N1CCN(c2cc(N3CCCC3)ncn2)CC1 2087121770 GNPLNBWIARVQIK-CVEARBPZSA-N 331.464 1.502 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCN([C@H]3CCOC3)CC2)cc1C 1565522630 LWKZMEZESBWCAB-INIZCTEOSA-N 338.473 1.789 0 40 EDAB CC[C@@]1(O)C(=O)OCc2c1cc(I)nc2OC 114222476 QITVYQRBHQNUFA-NSHDSACASA-N 349.124 1.349 0 40 EDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(CC2CCCCC2)CC1 2055746176 VFJRQBUYAOBWHP-UHFFFAOYSA-N 333.480 1.415 0 40 EDAB Cc1nnsc1C(=O)N[C@H](CN1C(=O)COC1=O)c1ccccc1 217979885 JZYRQZPIDDDGAY-LLVKDONJSA-N 346.368 1.296 0 40 EDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H]1Cn1nccn1 618254716 DYYAFUWEFXLQGE-JTQLQIEISA-N 344.799 1.924 0 40 EDAB Cc1nnc(CN2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)o1 2298188598 JMGCJIOWLNGPTL-LBPRGKRZSA-N 328.363 1.848 0 40 EDAB NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 16043253 KASQXRZPOXJHEQ-JEBQAFNWSA-N 332.400 1.569 0 40 EDAB biogenic Cc1cc(CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)no1 96436218 QQXFAZSZQYFWMO-KRWDZBQOSA-N 329.400 1.890 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@H](CN)C2)cc1Br 50246951 YSTFEMOXEYFTII-SECBINFHSA-N 349.250 1.427 0 40 EDAB COC(=O)c1cc(NC(=O)C(=O)NCc2cccc(F)c2)ccc1O 40283267 MGWOEJRHDXJTMF-UHFFFAOYSA-N 346.314 1.573 0 40 EDAB C[C@@H]1CN([C@H](C)CNC(=O)NCc2ccc3c(c2)OCO3)C[C@@H](C)O1 31049787 CUDOCSMOJSCTLX-MGPQQGTHSA-N 349.431 1.712 0 40 EDAB COc1cccc(C(N)=O)c1OCC(=O)Nc1ccc2c(c1)OCO2 40457393 GQEIIAUHIOWVEL-UHFFFAOYSA-N 344.323 1.540 0 40 EDAB CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1=O 11518123 GOQBVWYVCMUBAQ-JTQLQIEISA-N 335.335 1.156 0 40 EDAB CS(=O)(=O)NC(=O)COc1ccc(Br)cc1Cl 40543748 NHFFVJGEQDCBPJ-UHFFFAOYSA-N 342.598 1.557 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@@H]2c2ccsc2)ccc1=O 40534495 DDQBDFQSEHJFKL-CQSZACIVSA-N 333.413 1.929 0 40 EDAB C[C@@H](O)CN[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 4280202 LAZAXTCLSFADDG-HQJQHLMTSA-N 335.187 1.746 0 40 EDAB C[C@]1(NC(=O)c2csc(-c3ccco3)n2)CCS(=O)(=O)C1 29644906 IZTCBKNICJXVME-ZDUSSCGKSA-N 326.399 1.710 0 40 EDAB COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccccc1 6356954 ZXCKVCJOIDQONU-UHFFFAOYSA-N 348.424 1.632 0 40 EDAB CCOC(=O)C1=C(C)N(N)C(=S)N[C@@H]1c1ccc2c(c1)OCO2 6891644 WRWIFTPUEPMTAG-CYBMUJFWSA-N 335.385 1.357 0 40 EDAB O=C(COC(=O)c1ccccc1)NC[C@H]1COc2ccccc2O1 7171610 CRKLKNROJBIXRS-AWEZNQCLSA-N 327.336 1.800 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1 32434706 GIOHXWVHQWPFJR-CQSZACIVSA-N 344.452 1.769 0 40 EDAB C[C@H]1CN(c2ccc(CNc3ncnc4c3cnn4C)cn2)CCO1 52245729 YPRHNWIAAMHDBA-LBPRGKRZSA-N 339.403 1.596 0 40 EDAB O=C(C1CCOCC1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108530348 ROEUTHXCYWSTIG-ROUUACIJSA-N 345.443 1.310 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nnc(C2CC2)s1 102285482 HPFYDTOQVUONTF-AOOOYVTPSA-N 332.385 1.305 0 40 EDAB CCOC1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 71921732 QJZXOJCMDVLKBL-SFHVURJKSA-N 332.444 1.915 0 40 EDAB CCc1ccc(Cn2nccc2NC(=O)[C@H]2CCS(=O)(=O)C2)cc1 21599931 ZEXMVDWMANVSCP-HNNXBMFYSA-N 347.440 1.867 0 40 EDAB CC(C)(C)n1nnn(CN2CCCC[C@H]2C2OCCO2)c1=S 71920465 OFTGAXOOMVLDMS-NSHDSACASA-N 327.454 1.749 0 40 EDAB COc1ccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)cc1 32859767 BYHFREUOOOOPOL-UHFFFAOYSA-N 329.356 1.211 0 40 EDAB Cn1cc([C@@H]2CCCN2CC(=O)NCCOc2ccc(F)cc2)cn1 69626799 CVVJLEGSRRUJLG-KRWDZBQOSA-N 346.406 1.891 0 40 EDAB O=C(Cn1cccnc1=O)N1CCN(c2ccccc2Cl)CC1 32978228 CEDQMSRBEQFHHS-UHFFFAOYSA-N 332.791 1.246 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCC[C@@H]1c1nnc2ccccn12 46798516 UABCLNIJSDKKMY-CYBMUJFWSA-N 337.449 1.843 0 40 EDAB CN(C)CCCn1ccc2c(cnc3nc(-c4ccncc4)nn32)c1=O 12389566 KXMOFUNTUFBSTO-UHFFFAOYSA-N 349.398 1.453 0 40 EDAB CCN1C(=O)C[C@@H](N2CCC(C3CCN(C(C)=O)CC3)CC2)C1=O 101329151 VTKVDAOHKGSHHB-MRXNPFEDSA-N 335.448 1.104 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCCc2cccnc2)cc(C)c1C 22992745 SNBPMPDHQSJUBO-UHFFFAOYSA-N 347.440 1.579 0 40 EDAB O=C(Cc1cccc(F)c1)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 47635207 UDYFCWQUQLIBME-RDJZCZTQSA-N 336.407 1.222 0 40 EDAB C[C@H](CNC(=O)c1ccc(I)cc1)C(=O)O 54309829 ALTCPMQUMYGLRT-SSDOTTSWSA-N 333.125 1.742 0 40 EDAB Cc1cccc(N2CCN(Cc3nc(O)c4cnn(C)c4n3)CC2)c1 54417927 RQBCSWPRGOUTTJ-UHFFFAOYSA-N 338.415 1.700 0 40 EDAB NS(=O)(=O)c1ccc(NCCc2ccc(OC(F)F)cc2)nc1 23703127 KJHZFWQFHFCSOR-UHFFFAOYSA-N 343.355 1.985 0 40 EDAB COc1ccc([C@H](NC(=O)C2=COCCO2)c2nccn2C)cc1 12525442 ZFUSVMVAEOMGFR-HNNXBMFYSA-N 329.356 1.523 0 40 EDAB COc1ccc(F)cc1[C@H](C)NC(=O)N[C@@H]1CCS(=O)(=O)C1 42870002 JEDCHILIUDLAAG-GXSJLCMTSA-N 330.381 1.382 0 40 EDAB Cc1noc(C)c1CCC(=O)NCc1ccc(S(C)(=O)=O)cc1 43072389 FBIOXDCMSJXIDI-UHFFFAOYSA-N 336.413 1.944 0 40 EDAB COc1ccc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)cc1 105883060 UXKNIMLUPXJPEO-AWEZNQCLSA-N 329.404 1.637 0 40 EDAB Cc1c(Cl)cccc1NC(=O)CNC(=O)COC(=O)c1ccc[nH]1 12569028 JFFMGYMJXSBCPD-UHFFFAOYSA-N 349.774 1.888 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1 24842699 JZOHJDGMNAKYKZ-GFCCVEGCSA-N 328.368 1.943 0 40 EDAB Cn1c(CN(Cc2ccccc2)Cc2ccco2)cc(=O)n(C)c1=O 56671833 PGWSLXRXLWXSLN-UHFFFAOYSA-N 339.395 1.879 0 40 EDAB O=C(CSc1cccc[n+]1[O-])NC[C@H]1COc2ccccc2O1 26093615 JVPCAYKHANAPBB-LBPRGKRZSA-N 332.381 1.368 0 40 EDAB CCN(CC)S(=O)(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 26869934 CZXQELRXNQGRND-JTQLQIEISA-N 327.406 1.255 0 40 EDAB Cc1cn2nc(N3CCC(NC(=O)c4cc(C)on4)CC3)sc2n1 58161040 WOVJUYAWCGLGDY-UHFFFAOYSA-N 346.416 1.794 0 40 EDAB CN(Cc1nc2ccccc2[nH]1)C(=O)CCSc1nnnn1C 58290123 JFULZGBCFJPXMS-UHFFFAOYSA-N 331.405 1.227 0 40 EDAB C[C@H](CNC(=O)CN1CCC(O)CC1)c1nc2ccccc2s1 58214331 FHVDUCCDGOGXTI-GFCCVEGCSA-N 333.457 1.973 0 40 EDAB COCCCNC(=O)CN(C)C(=O)CCc1nc2ccccc2[nH]1 58282656 NPDGTCURJOWNLU-UHFFFAOYSA-N 332.404 1.107 0 40 EDAB Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)cc1 58265842 FPZFWTOBGISFLA-CYBMUJFWSA-N 342.486 1.973 0 40 EDAB COCCN(CC(N)=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 58333242 VNUIUGKQGQQPBP-UHFFFAOYSA-N 349.412 1.473 0 40 EDAB C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCOCC1 58323407 KQRMBMGPALWHSI-SNVBAGLBSA-N 346.305 1.562 0 40 EDAB COc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1OC(F)F 58306172 DFHKJXUQUUCQFK-LLVKDONJSA-N 330.331 1.357 0 40 EDAB C[C@H](SCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)NC1CC1 45090049 KHRGZUTYVYCUML-NSHDSACASA-N 342.486 1.837 0 40 EDAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 36389769 RHANHFBNJGRXTR-MRVWCRGKSA-N 341.477 1.863 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCC3)C1 48276399 GOFCSZGAKZYMJO-HNNXBMFYSA-N 337.445 1.721 0 40 EDAB Cc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cn1 48336426 MHYMPAYFOAWCBH-UHFFFAOYSA-N 325.416 1.467 0 40 EDAB Cc1cc2n(C[C@@H](O)COc3ccccc3F)c(C)cc(=O)n2n1 12854730 PFLZALGTYAJWSH-CYBMUJFWSA-N 331.347 1.692 0 40 EDAB COC(=O)[C@H](CO)Nc1nc2c(Cl)c(C)nn2c2ccccc12 69352032 XUHBCIPMGVRWIT-JTQLQIEISA-N 334.763 1.790 0 40 EDAB CCOC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 3907014 JTNKXJRSAMLJJP-NWDGAFQWSA-N 340.426 1.544 0 40 EDAB CCn1cc(CN2CCCN(C(=O)Cn3nc(C)cc3C)CC2)cn1 69493354 APMSBCYBKIDOOO-UHFFFAOYSA-N 344.463 1.451 0 40 EDAB Cc1ccc(C)c(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 4248606 GRZWOQJKNKGMLB-UHFFFAOYSA-N 337.383 1.601 0 40 EDAB C[C@H]1CN(C[C@H](O)COc2ccccc2)CCN1Cc1nccn1C 69702749 MIOVRHRMXMBWNI-IRXDYDNUSA-N 344.459 1.366 0 40 EDAB CCCCn1c(N)c(N(CCC(C)C)C(=O)NCC)c(=O)[nH]c1=O 8429369 YAVNHWHBLAOQTJ-UHFFFAOYSA-N 339.440 1.501 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCCCC3)nc2)C1 65437043 WWUTWMFLRJXEBR-CYBMUJFWSA-N 331.420 1.801 0 40 EDAB CC[C@H]1CN(Cc2nc(N)c3ccccc3n2)CCN1CCOC 69841012 MKBSINKZMFGHGQ-AWEZNQCLSA-N 329.448 1.755 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C/c1ccccn1 69892850 LMXZZVUXUYWMGG-SCOAYWHSSA-N 330.432 1.154 0 40 EDAB O=C(NC1CCCCC1)NC1CCN(C[C@@H](O)Cn2cccn2)CC1 69844360 NVKICDPLWASNGX-QGZVFWFLSA-N 349.479 1.340 0 40 EDAB NC(=O)C1CCN(C(=O)[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 4505113 BJMPJXJWINQZOT-CQSZACIVSA-N 335.791 1.557 0 40 EDAB CC(=O)c1cccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c1 8995805 SBJKZVFQHFPZRQ-UHFFFAOYSA-N 337.335 1.531 0 40 EDAB O=C(COC(=O)c1ccco1)Nc1ccccc1C(=O)NC1CC1 5858664 FFQLRDFPXRKZHF-UHFFFAOYSA-N 328.324 1.967 0 40 EDAB CN(C)c1cc(CNCc2cnc(N3CCOCC3)nc2)ccn1 71809774 VSSYCGZTGWRFMJ-UHFFFAOYSA-N 328.420 1.064 0 40 EDAB O=C(CCNc1ncccn1)N1CCN(c2ccc(Cl)cn2)CC1 71833109 CQYFHWVZEWUWBY-UHFFFAOYSA-N 346.822 1.676 0 40 EDAB CN(C)CC1CCN(CC(=O)NC2CCC3(CC2)OCCO3)CC1 71899647 HQDPZNVKOMOKIN-UHFFFAOYSA-N 339.480 1.062 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc(N2CCCC2=O)cc1 71829753 UIRPTAHBDZXLJU-UKRRQHHQSA-N 343.427 1.468 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCCN(c2cccnn2)CC1 71860360 JZBIZOBXIPBLHW-HOTGVXAUSA-N 348.447 1.490 0 40 EDAB CN(CCNC(=O)N1CCC(c2nc[nH]n2)CC1)Cc1ccccc1 83713463 XSNXMGXMKVPUBF-UHFFFAOYSA-N 342.447 1.826 0 40 EDAB CC[C@H](CNC(=O)NCc1cccnc1-n1cccn1)N1CCCC1 89943415 NODYTEZONHCLOJ-MRXNPFEDSA-N 342.447 1.941 0 40 EDAB C[C@H](N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1nc(C2CC2)no1 76057067 JWDZSSFVJPPXNM-SCVCMEIPSA-N 328.438 1.268 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)N3CCc4ccccc43)CCO2)n1 76042762 UGRDVCOJJJLESW-LRDDRELGSA-N 341.415 1.464 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72282900 OGDMJPAGKVVPOF-ZDUSSCGKSA-N 330.388 1.850 0 40 EDAB Cc1cc(C)n(CCCNc2cc(N3CCC[C@H]3CO)ncn2)n1 72275992 FTQJKFLKFHJEMP-HNNXBMFYSA-N 330.436 1.753 0 40 EDAB CN(CCN1CCN(c2ccccc2)CC1)C(=O)C[C@H]1CCCO1 76018438 UYTQOEIHSNEBHV-GOSISDBHSA-N 331.460 1.836 0 40 EDAB CC(C)(C)c1nc(CN2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)no1 72300676 GMOJKBUAUMZUOY-QFYYESIMSA-N 335.408 1.177 0 40 EDAB Cc1ccc(CN2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)s1 306130072 IVUCFBVWHKSPFB-AEGPPILISA-N 344.502 1.443 0 40 EDAB Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H](CN)C1 94870891 QRQSJVZAULQKBR-MRVPVSSYSA-N 339.280 1.788 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 95394904 LZFRJYOWARANCX-UHFFFAOYSA-N 348.325 1.838 0 40 EDAB COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)CCn1cncn1 89346539 SAACRUUZPJFRAJ-ZDUSSCGKSA-N 328.294 1.542 0 40 EDAB CS(=O)(=O)NCCCNC(=O)N1CC=C(c2ccccc2)CC1 89486758 XZOQXAOZSNLUIN-UHFFFAOYSA-N 337.445 1.425 0 40 EDAB O=C(NCCCc1nnc2ccccn12)c1nc2ccccc2c(=O)[nH]1 75092075 GESDNPIGDZAJHK-UHFFFAOYSA-N 348.366 1.328 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccnc1 75143170 LCGHXWCRZGFVQN-UHFFFAOYSA-N 349.412 1.983 0 40 EDAB COCC(=O)NCC[C@@H]1CCOC12CN(C(=O)c1cccc(C)c1)C2 306136315 PPXDGWZTFUKUOS-MRXNPFEDSA-N 346.427 1.379 0 40 EDAB CN(C)CCNC(=O)[C@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 306140371 URFMTPJUYLZGSB-ZDUSSCGKSA-N 330.407 1.999 0 40 EDAB Cc1ccc(OCc2nc(CC(=O)N(C)CC(N)=O)cs2)cc1 60643035 AHNTZUIGDJPURA-UHFFFAOYSA-N 333.413 1.517 0 40 EDAB O=C(O)c1ccccc1S(=O)(=O)N1CCC(OCC2CC2)CC1 566173693 OMAYCPSLEKHNOS-UHFFFAOYSA-N 339.413 1.965 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCCCN1CCCCCC1=O 40462708 AXTHPMOFWPKUKB-UHFFFAOYSA-N 331.416 1.325 0 40 EDAB CN(C)C(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]32)cc1 195466544 WXSWTJBWYCXGTA-KFWWJZLASA-N 338.429 1.234 0 40 EDAB C[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1cn(C)c2ccccc12 80406434 KDVKCBMMWCXGOE-SBDDDAINSA-N 332.425 1.837 0 40 EDAB Cc1ccc(C)c(CS(=O)(=O)NC(=O)CCc2cnn(C)c2C)c1 195580517 QHQDRKWENNZEPA-UHFFFAOYSA-N 349.456 1.924 0 40 EDAB COC(=O)N1CCc2ccccc2[C@@H]1C(=O)N[C@H]1CCSC1=O 75165742 FEDLUEWBDMMLPC-QWHCGFSZSA-N 334.397 1.501 0 40 EDAB CN1C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCN2C1=O 85436081 JFEAUKZBZXICCT-LBPRGKRZSA-N 327.306 1.897 0 40 EDAB biogenic,in-vitro CC(C)(C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1)S(C)(=O)=O 573266207 WQTCWOVDOFHHBA-UHFFFAOYSA-N 340.380 1.296 0 40 EDAB O=C(c1cccnc1O)N1CCN(c2cc3c(nn2)CCCC3)CC1 225791797 DCYQABLUVVLNCS-UHFFFAOYSA-N 339.399 1.418 0 40 EDAB Cc1ccc(Cn2cccc(NC(=O)[C@@H]3C[C@H]3C(=O)O)c2=O)cc1 191652116 UGOMWXFJVZOLEH-ZIAGYGMSSA-N 326.352 1.864 0 40 EDAB COCCN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3ccccn3)C2)C1 96075687 MERZQYLIHYHXRG-QFBILLFUSA-N 347.459 1.671 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H]2Cc2cccnc2)cc1 96200124 UBZYGBQCLYTJAL-DLBZAZTESA-N 348.424 1.457 0 40 EDAB O=C(c1ncccn1)N1CC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96107818 HTBREMZMFLYELE-QAPCUYQASA-N 340.383 1.462 0 40 EDAB CCOCCCNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O 96184147 FXLLWBQQTLPADV-UHFFFAOYSA-N 345.399 1.462 0 40 EDAB CN1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccoc3)O2)CC1 96057342 SDIOCCWGLSQNSK-ZACQAIPSSA-N 333.432 1.176 0 40 EDAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CC(O)C1 95422158 PBFXDKULUUINOP-UHFFFAOYSA-N 331.372 1.948 0 40 EDAB CCc1ccc([C@H](COC)NS(=O)(=O)[C@@H]2CC(=O)N(CC)C2)o1 583651664 QPSPOVYXSGWRTD-OLZOCXBDSA-N 344.433 1.070 0 40 EDAB Cc1nnc(N2C[C@@H](F)C[C@H]2CNCc2ccc(C(N)=O)cc2)o1 583621906 PLFLWAFTJGKYQB-KBPBESRZSA-N 333.367 1.184 0 40 EDAB Cn1cc([C@@H]2CN(C(=O)NCCOC3CCCCC3)CCO2)cn1 333235657 HNYBZPQXRVSXPZ-INIZCTEOSA-N 336.436 1.852 0 40 EDAB CC(=O)N[C@H](CC(=O)N[C@@H]1CCc2nc(C)cn2C1)c1ccccc1 97198524 SPIMXTDBXJWJQS-IAGOWNOFSA-N 340.427 1.890 0 40 EDAB COC[C@]1(N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242687305 UEGKXVRTHSEBQD-KSZLIROESA-N 347.436 1.979 0 40 EDAB CN(C)C(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@H]32)cc1 249637310 WXSWTJBWYCXGTA-ZNMIVQPWSA-N 338.429 1.234 0 40 EDAB CN1CCC(Cc2cnc(N3CC4(CCOCC4)OC3=O)cn2)CC1 257290897 QETHPGVGYWSIRF-UHFFFAOYSA-N 346.431 1.867 0 40 EDAB Cc1nn[nH]c1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 585129307 FGHGSUXLDSUUHL-UHFFFAOYSA-N 336.295 1.855 0 40 EDAB CSc1nc(O)cc(CNC(=O)c2cc(C)nc3onc(C)c23)n1 585130089 HGUKCISIXXYGHD-UHFFFAOYSA-N 345.384 1.987 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccco1 585134570 ALNHNVTXAMAHRL-JFGNBEQYSA-N 328.390 1.566 0 40 EDAB O=S(=O)(NCc1ccccc1Cn1cccn1)[C@@H]1CCC[C@H]1O 585142001 LLLACISJAVORBW-HZPDHXFCSA-N 335.429 1.264 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC(n3nc(C)cc3C)CC2)CC1 257297604 RIAFNSMXZLIHED-UHFFFAOYSA-N 334.464 1.510 0 40 EDAB Cc1ccccc1C(=O)N1CCOC[C@H]1c1[nH]ncc1S(C)(=O)=O 257301172 RXHJMVOXHSFWPR-ZDUSSCGKSA-N 349.412 1.335 0 40 EDAB CCCn1cc(CN2CC[C@H](c3ncc(CNC(C)=O)[nH]3)C2)cn1 257241490 HYFOZZPQRPYJIL-HNNXBMFYSA-N 330.436 1.642 0 40 EDAB Cc1c[nH]c([C@@H]2CN(C(=O)c3cc4nc(C)cc(C)n4n3)CCO2)n1 257203606 AQVPLZIRKUVMDJ-AWEZNQCLSA-N 340.387 1.591 0 40 EDAB O=C1CO[C@@H]2CCN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]2N1 257225497 FGMYAEYGHOSGBP-NWDGAFQWSA-N 328.290 1.435 0 40 EDAB Cn1cccc1C(=O)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257260071 LBEZLHFIFIJPNI-HXUWFJFHSA-N 339.439 1.660 0 40 EDAB Cc1ccc([C@@H](CNC(=O)[C@H]2CCCc3nnn(C)c32)N(C)C)cc1 1615586016 OXSHZFMLKOWYGD-DOTOQJQBSA-N 341.459 1.963 0 40 EDAB Cn1nc(CNS(=O)(=O)CCOc2ccccc2)cc1C1CC1 96099387 WDNFFTONISTEJX-UHFFFAOYSA-N 335.429 1.796 0 40 EDAB Cn1cnc(S(=O)(=O)NCCCn2ccnc2-c2ccccc2)c1 96026007 NZNDYFYGJREISQ-UHFFFAOYSA-N 345.428 1.652 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cc(C)on1)OC 96385110 IMHCBCSTLRNNDC-CYBMUJFWSA-N 333.344 1.434 0 40 EDAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](C(=O)NCC2CCOCC2)C1 575404400 NJYIUOYFZOYZHS-MRXNPFEDSA-N 348.447 1.355 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)N2CC(F)(F)C2)C1 585095875 RFKJJGOVSXGFDF-RAIGVLPGSA-N 338.358 1.290 0 40 EDAB COC[C@]1(CC(=O)N(C)C)CCCN1Cc1ccc(C(=O)O)cc1 585276725 HTSDKWRRUQFYJD-GOSISDBHSA-N 334.416 1.844 0 40 EDAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)[C@H]1CCOC1 585112250 NOZPRGHVZUWZQU-DLBZAZTESA-N 341.411 1.698 0 40 EDAB Cc1ccccc1O[C@@H]1CCC[C@H](NCCN2CCNC2=O)[C@H]1O 585290617 YPKLRFRMMQYULZ-USXIJHARSA-N 333.432 1.271 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)Cn3cccn3)CCO2)c1 585276813 QSDGAHVORAOLTO-GOSISDBHSA-N 329.400 1.024 0 40 EDAB O=S(=O)(c1ccccc1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585276712 DAUQHINYYBUTDK-SFHVURJKSA-N 347.436 1.681 0 40 EDAB C[C@H]1CCc2ccccc2N1C(=O)CS(=O)(=O)C[C@@H]1CCCO1 45359673 BMLGIKZZLNRLTN-ZFWWWQNUSA-N 337.441 1.948 0 40 EDAB COc1cc2c(cc1OC)CCN(C(=O)CCc1cnn(C)c1)CC2 56463122 TWUWBTGRNUGYHJ-UHFFFAOYSA-N 343.427 1.997 0 40 EDAB COC(=O)c1n[nH]c2ccc(NC(=O)Cn3nc(C)cc3C)cc12 56640157 VZPSWTHGOKCCKP-UHFFFAOYSA-N 327.344 1.802 0 40 EDAB CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2cnnc2)cc1 1556191877 UVARZJUVPCVTOA-KRWDZBQOSA-N 349.394 1.354 0 40 EDAB O=C(NC1CC1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 67004028 PDWGEBBPNJQEOD-UHFFFAOYSA-N 333.823 1.977 0 40 EDAB Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@H]1CCCC[C@H]1C 69896795 WHLFJUPLQLIDAY-RISCZKNCSA-N 341.415 1.773 0 40 EDAB NS(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 62930675 WOLMUDZZWOSGLF-UHFFFAOYSA-N 346.817 1.788 0 40 EDAB NC(=O)CN1CCC[C@@H](Cc2ccc(Nc3ccccn3)nn2)C1 72363508 YVMKGPVCRKAMDY-ZDUSSCGKSA-N 326.404 1.355 0 40 EDAB N[C@]12CCC[C@@H]1CN(C(=O)c1cccn(CC(F)(F)F)c1=O)C2 1580158603 UOOUJEJIEMCMFM-YGRLFVJLSA-N 329.322 1.364 0 40 EDAB COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 172343450 RVGYSFVTZZKMST-OAHLLOKOSA-N 328.796 1.491 0 40 EDAB C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)c(C(=O)O)c2)[C@H]1C(=O)O 1615056190 VOQZIYKLURWWAU-KSBSHMNSSA-N 349.311 1.147 0 40 EDAB COc1ccc(C)cc1CC(=O)NC[C@@H]1COC[C@@H](OC)[C@H]1OC 1615129774 NSQQAHXCPYEUDK-KYJSFNMBSA-N 337.416 1.339 0 40 EDAB O=C(O)CCN1CCN(S(=O)(=O)c2sccc2Cl)CC1 1548449095 QJCBIJYWKBZDBE-UHFFFAOYSA-N 338.838 1.183 0 40 EDAB COc1cccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)c1 12113423 LCKPXXQHNFRCLU-CJNGLKHVSA-N 343.383 1.324 0 40 EDAB CN(C)c1nc2c(c(N(C)CCO)n1)CCN(Cc1ccccc1)C2 12325716 GISHCYCMFBOOBD-UHFFFAOYSA-N 341.459 1.529 0 40 EDAB O=C(Cn1c(=O)n(Cc2ccco2)c2ncccc21)NC1CCCC1 13266784 UCPJXXTZFIWGOP-UHFFFAOYSA-N 340.383 1.898 0 40 EDAB Cc1cc2c(cc1NC(=O)c1cccs1)n(C)c(=O)c(=O)n2C 13364513 KQJFRPTUGWVWRJ-UHFFFAOYSA-N 329.381 1.859 0 40 EDAB Cc1cc(N)nc(SCC(=O)NC(=O)NCc2cccs2)n1 16664574 BZKLJYOSHHSZJM-UHFFFAOYSA-N 337.430 1.547 0 40 EDAB Cn1c2ccccc2n2c(=O)n(CC(=O)Nc3ccccc3F)nc12 19289902 VKOFDANTUVPBSC-UHFFFAOYSA-N 339.330 1.766 0 40 EDAB Cc1nnsc1C(=O)N1CCO[C@@H](C(=O)Nc2ccccc2)C1 19747633 PGWHEWHHJTYLHS-GFCCVEGCSA-N 332.385 1.326 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCCC2)C1 19933787 JKWXRTJZBIHKIZ-AWEZNQCLSA-N 345.509 1.734 0 40 EDAB NC(=O)C1CCN(C2CN(C(=O)CCc3cccc(Cl)c3)C2)CC1 575605854 NKXQBUHQSIXWHI-UHFFFAOYSA-N 349.862 1.681 0 40 EDAB CCCNC(=O)COC(=O)c1ccccc1SCC(=O)N(C)C 5350123 VRSJTTSCUYYREQ-UHFFFAOYSA-N 338.429 1.550 0 40 EDAB Cc1ccnc(N2C[C@@H]3CN(C(=O)NC4CCOCC4)C[C@H]3C2)n1 1888843721 YENAWGVFGSSMHJ-ZIAGYGMSSA-N 331.420 1.042 0 40 EDAB O=C([C@@H]1CN(c2cnc3ccccc3n2)CCO1)N1CCCCC1 1888849697 NPSIZTJJCJPXHT-INIZCTEOSA-N 326.400 1.848 0 40 EDAB Cc1nc(CN2CCN(c3cc(-n4cccn4)ncn3)CC2)cs1 1889139194 KBMGBQIXWFCGSB-UHFFFAOYSA-N 341.444 1.749 0 40 EDAB Cn1ncnc1CN1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776008105 YSAGZMQNAYOZBQ-UHFFFAOYSA-N 340.309 1.078 0 40 EDAB CCN1C(=O)CC[C@]12CCCN(c1nc(OC)cc(OC)n1)CC2 1614945972 PZMUVXXKTNPXOL-KRWDZBQOSA-N 334.420 1.865 0 40 EDAB O=c1ccc(N2CCN(c3ncccn3)CC2)nn1Cc1ccccc1 2086992575 IVMVJHAMYGGIRR-UHFFFAOYSA-N 348.410 1.408 0 40 EDAB C[C@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O 10499512 COBUSTRHKLEMAA-LJQANCHMSA-N 348.362 1.662 0 40 EDAB O=C(NCc1ccco1)c1noc2c1C[C@H](NC(=O)C1CC1)CC2 2055738995 GGKGSFSZICKLQO-LLVKDONJSA-N 329.356 1.581 0 40 EDAB O=C([C@H]1CCOC1)N1CCC[C@@]2(CC1)CN(Cc1ccoc1)CCO2 2055785468 LEDHATZZAOZJJN-PKOBYXMFSA-N 348.443 1.900 0 40 EDAB CN(C)C(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)o1 35597584 FCFHRHNNDJMRAQ-UHFFFAOYSA-N 338.385 1.928 0 40 EDAB Cc1nnc(CN2CCN(c3cccc(-n4cccn4)n3)CC2)o1 2298055242 PATFRCIXUFJTSX-UHFFFAOYSA-N 325.376 1.281 0 40 EDAB CC(C)Oc1cccc([C@H](C)NS(=O)(=O)N2CCOCC2)c1 40105708 LIDJOEJTLBTMKO-ZDUSSCGKSA-N 328.434 1.701 0 40 EDAB Cc1nc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)cs1 40120108 WNFMBFJSTBQTSW-UHFFFAOYSA-N 325.459 1.992 0 40 EDAB COC(=O)[C@H]1Cc2nc[nH]c2[C@H](c2ccc(OC)c(OC)c2OC)N1 20112676 ATQORWOXDFORGB-YPMHNXCESA-N 347.371 1.212 0 40 EDAB biogenic C[C@@H](C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)n1cncn1 40498544 PLLWITYSWUIALK-ZDUSSCGKSA-N 333.823 1.837 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 40515786 PBWLOGWJQJYSHD-CYBMUJFWSA-N 347.440 1.636 0 40 EDAB Cc1cc(NC[C@H]2CCS(=O)(=O)C2)n2nc(C(F)(F)F)nc2n1 45726380 FCKJRXZMPOOZLW-MRVPVSSYSA-N 349.338 1.298 0 40 EDAB C[C@@H](CO)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 40664019 YSMKXDVVQLZIJJ-JTQLQIEISA-N 346.836 1.381 0 40 EDAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCN3CCC[C@H]3C2)cc1 2809434 YUYGJOKJXMKLEQ-HNNXBMFYSA-N 336.457 1.465 0 40 EDAB Nc1nnc(SCC(=O)OCC(=O)NCc2ccccc2)s1 3358004 IYSXOIOMPVEOSU-UHFFFAOYSA-N 338.414 1.072 0 40 EDAB CN(C(=O)COC(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 3512220 LEIYNANRNMUERR-GFCCVEGCSA-N 345.804 1.142 0 40 EDAB CC(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 45837053 NWKUJABHTXLBGI-UHFFFAOYSA-N 331.294 1.591 0 40 EDAB CCOC(=O)C1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 32510467 RWQWKVSSKFHRSC-UHFFFAOYSA-N 329.400 1.778 0 40 EDAB CCSc1nnc(CCNC(=O)c2cccc(N(C)C)c2)n1C 4932665 VTMBCPNPGZDBOS-UHFFFAOYSA-N 333.461 1.966 0 40 EDAB NC(=O)[C@@H](CNS(=O)(=O)c1ccccc1)Cc1ccc(F)cc1 69622646 QIKBFYKWRNABGI-CYBMUJFWSA-N 336.388 1.448 0 40 EDAB COc1cc(CNCc2ccccn2)cc(Cl)c1OCC(N)=O 7274896 QTGSUONLLKCVRP-UHFFFAOYSA-N 335.791 1.898 0 40 EDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1cc(C)ccc1OC 7684942 GLRVRNPDIQFHNF-UHFFFAOYSA-N 328.434 1.539 0 40 EDAB CC(C)COC[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccco1 69658724 RJIKADGAOAZDFI-AWEZNQCLSA-N 337.420 1.900 0 40 EDAB Cc1csc(CCCNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)n1 89705494 KKXBSTZBCZIMRH-STQMWFEESA-N 336.461 1.837 0 40 EDAB COC(=O)c1cc(NCC(=O)NC(=O)NC(C)(C)C)c(F)cc1F 32788525 AHGTUMXSSVFBBX-UHFFFAOYSA-N 343.330 1.788 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(NC(=O)CCc2ccccc2)C1=O 21553692 XILJJSRGVKMJLH-QGZVFWFLSA-N 327.340 1.711 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1cccc(F)c1 32842279 IACBCRVLNBLKIP-HNNXBMFYSA-N 326.331 1.767 0 40 EDAB COc1ccccc1NC(=O)N1CCN(C(=O)N2CCOCC2)CC1 10463522 IWMJGCQWNSGWLY-UHFFFAOYSA-N 348.403 1.297 0 40 EDAB O=C(NCCO)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 8476876 ILXIIEBBWZYALI-UHFFFAOYSA-N 326.331 1.796 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 32855927 SWXGISHKKFXUGQ-AWEZNQCLSA-N 343.470 1.644 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCc2ccccc2C1 424157 DGEBIKCWMFGWHL-UHFFFAOYSA-N 335.363 1.275 0 40 EDAB O=C(NCC1(c2ccccc2)CC1)C1=NN(c2ccccc2)C(=O)CN1 32920889 BNXDHMWCBDJRLX-UHFFFAOYSA-N 348.406 1.784 0 40 EDAB COc1ccccc1-n1nnn([C@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 103003159 KYIIDSFFMUGDAW-BIMULSAOSA-N 334.357 1.062 0 40 EDAB CNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 59444138 HWVJQYALUKJBAZ-UHFFFAOYSA-N 346.452 1.974 0 40 EDAB CC1(C)CC(=O)c2cnc(NC(=O)CSc3n[nH]c(N)n3)nc2C1 20633862 IDKRDPHWVHXVJJ-UHFFFAOYSA-N 347.404 1.063 0 40 EDAB O=C(CN1CSCC1=O)NCc1ccc(OCC(F)(F)F)cc1 22417873 ANUCUXPACKMINX-UHFFFAOYSA-N 348.346 1.777 0 40 EDAB O=C(NCCc1nc2ccccc2[nH]1)c1ccnc(-n2cncn2)c1 53762075 MCLNUXNLXTVYDG-UHFFFAOYSA-N 333.355 1.511 0 40 EDAB CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813858 RTERKCNBMMYJSL-UHFFFAOYSA-N 332.809 1.111 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCN(C)C[C@H]2c2ccccc2)c(=O)[nH]1 54148760 NDFDPUMJQWMQIB-KRWDZBQOSA-N 340.427 1.445 0 40 EDAB C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(Cl)c(Cl)c1 42813374 KHVWNIYOHRFDSF-LDWIPMOCSA-N 330.171 1.769 0 40 EDAB COc1ccc(CCNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 24586238 LXCQWUOXCKCEHI-PBHICJAKSA-N 334.441 1.808 0 40 EDAB CCCCNC(=O)N1CCN(c2nc(C)nc3c(C)nn(C)c23)CC1 28557443 VWDAJUCBQWFRJU-UHFFFAOYSA-N 345.451 1.612 0 40 EDAB O=C1Nc2ncccc2O[C@H]1CCN1CCN(c2ccccc2)CC1 1395266 SLKFPBRHJBZLFQ-KRWDZBQOSA-N 338.411 1.993 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCCN(Cc2cscn2)CC1 69773604 SPFASGORGHOXSW-UHFFFAOYSA-N 345.472 1.952 0 40 EDAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@@H](C(N)=O)C1 106827103 AYOIBLXNTXNMHT-TZMCWYRMSA-N 329.400 1.759 0 40 EDAB CCOC(=O)c1c(C)n[nH]c1S(=O)(=O)N(C)[C@H](C)CC(C)C 56036764 LOBNBOJGOUYWCL-SNVBAGLBSA-N 331.438 1.950 0 40 EDAB CO[C@]12C[C@]3(CCC4=[N+](C)CCc5cc(O)c(c3c54)O1)CC[C@H]2O 103551616 YAPXMAINSYHBRI-MDASCCDHSA-O 330.404 1.691 0 40 EDAB Cc1ccc2cccc(S(=O)(=O)N3CC[C@@H]4CCOC(=O)[C@H]43)c2n1 107540122 VSVBBZJHGVUSOO-CJNGLKHVSA-N 346.408 1.869 0 40 EDAB CCOC(=O)C(=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 61720119 QTPSPXKHMRPYMZ-UHFFFAOYSA-N 343.383 1.452 0 40 EDAB C[C@@]12CC(=O)CC(CO)(CO)[C@@H]1[C@H](O)C[C@]13C[C@@H]4[C@@H](C[C@H]21)[C@@]4(C)C3 100059600 WTOYNGQRGOLPNU-HLXBYIJVSA-N 334.456 1.760 0 40 EDAB biogenic,in-vitro Cn1ccnc1[C@@H]1[C@@H](C(=O)O)CC(=O)N1CCc1ccc(F)cc1 69700029 TZBSNPSBEGQJFD-ZFWWWQNUSA-N 331.347 1.776 0 40 EDAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1ccc(C)s1 69739293 YOBIKMAPTDPJOD-SNVBAGLBSA-N 346.430 1.059 0 40 EDAB CS(=O)(=O)Nc1ccccc1C(=O)NCc1nnc2ccccn12 12541761 CRHRVJRRGCKYFU-UHFFFAOYSA-N 345.384 1.031 0 40 EDAB COc1nc(C(=O)NCCCN2CCCC2=O)cc2ccccc12 58298042 AYDNPKDEHRUTFO-UHFFFAOYSA-N 327.384 1.986 0 40 EDAB CCOC(=O)N1CCc2c(sc3[nH]c(=S)n(N)c(=O)c23)C1 2182565 IMDGPAINJDCOLT-UHFFFAOYSA-N 326.403 1.349 0 40 EDAB CN1N=C(C(=O)NCc2ccc(F)c(Cn3ccnc3)c2)CCC1=O 44955561 QWJISUBIIMYCJT-UHFFFAOYSA-N 343.362 1.295 0 40 EDAB C[C@@H](CNC(=O)c1cccnc1N1CCOCC1)N1CCCC[C@H]1C 44952408 KAELVCMBLCSAMC-CVEARBPZSA-N 346.475 1.911 0 40 EDAB Cc1nc(CCNC(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)cs1 44953703 OXVNCEKYPHNHEN-RWMBFGLXSA-N 340.493 1.791 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)CCCn1c(=O)oc2ccccc21 44940330 PEDIKRNZVPIIGI-CQSZACIVSA-N 347.415 1.212 0 40 EDAB CCN(CC)c1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 3245466 UHYRVHQPYNORPF-INIZCTEOSA-N 334.416 1.985 0 40 EDAB CC1CCN([C@H](C)CNC(=O)c2cccc(-n3cnnn3)c2)CC1 58342178 UWZDUALBGVXUNM-CQSZACIVSA-N 328.420 1.513 0 40 EDAB CCO[C@H](C)C(=O)N1CCC(NC(=O)c2scnc2C)CC1 58312757 NFSLPKISRAANPZ-LLVKDONJSA-N 325.434 1.597 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)c1nncn1C 58393439 NRGKBTHUIGYMFC-SECBINFHSA-N 329.389 1.528 0 40 EDAB c1ccc(CN2CCC(NC[C@@H]3CNc4ccnn4C3)CC2)nc1 58307304 DDDDITSFOUFIND-OAHLLOKOSA-N 326.448 1.574 0 40 EDAB CCOCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1C 2350591 QZNUYWKSCWZLFA-UHFFFAOYSA-N 342.399 1.651 0 40 EDAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N1C[C@H](C)O[C@H](C)C1 28655973 BWBXWSUFAFGZAR-XQQFMLRXSA-N 340.445 1.767 0 40 EDAB COc1ccc(C(=O)COC(=O)CSc2nnc(N)s2)cc1 3358690 BAUHXNYVOVBHSN-UHFFFAOYSA-N 339.398 1.647 0 40 EDAB CC(=O)NCC1CCN(C(=O)NC[C@H](c2ccco2)N(C)C)CC1 48234293 FAEXYDDMTSWMNA-OAHLLOKOSA-N 336.436 1.440 0 40 EDAB Cc1cc(CN2CCN(C[C@H](O)COCc3ccco3)CC2)on1 48236939 PCFZEUNHMWQCMX-HNNXBMFYSA-N 335.404 1.271 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCc3ccccc32)cc1 48331416 IPQTYJWKFROHFH-MRXNPFEDSA-N 345.424 1.821 0 40 EDAB O=C(NCc1cccs1)c1nn(-c2ccccc2F)nc1CO 8613539 MXWYEOIWSIHDCX-UHFFFAOYSA-N 332.360 1.890 0 40 EDAB CS(=O)(=O)Cc1ccc(NC(=O)NCCNc2ncccn2)cc1 69519052 MIULJNUOSYTAOF-UHFFFAOYSA-N 349.416 1.255 0 40 EDAB CCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)NC(N)=O)c1C 3521500 FSQKJTCLAHGPPO-SNVBAGLBSA-N 329.356 1.846 0 40 EDAB C[C@@H](NC(=O)CN[C@@H]1CCCN(c2cccnn2)C1)c1cccs1 69929969 CSSKLDKAZBPMKN-ZIAGYGMSSA-N 345.472 1.974 0 40 EDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(Cc2cnn(CCO)c2)CC1 69950492 YDYVCFORNBQTNX-ZDUSSCGKSA-N 346.435 1.015 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H](C)C(=O)N1CCCC1)C2 64396469 HETIZKVIMQUFLK-OCCSQVGLSA-N 332.400 1.373 0 40 EDAB CC1CCN(C(=O)CN[C@@](C)(C(N)=O)c2cccc(Cl)c2)CC1 89929943 ADSXXRQKPWFNCA-QGZVFWFLSA-N 337.851 1.889 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 39978462 KJDQTYOITSQHRN-UHFFFAOYSA-N 348.428 1.611 0 40 EDAB CN(C(=O)NCc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 65415564 MPLLGUZHUDTJMW-HNNXBMFYSA-N 348.428 1.201 0 40 EDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 65403877 HHTZSIJWPAKFFE-NSHDSACASA-N 325.359 1.386 0 40 EDAB CC[C@H](C)NC(=O)Nc1nc(CN2CCNCC2)nc2ccccc12 65588789 CAAIMHWYNLDQAZ-ZDUSSCGKSA-N 342.447 1.955 0 40 EDAB COc1c(NCCN)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 22056501 VRWBCRPZUUYZMQ-UHFFFAOYSA-N 335.335 1.553 0 40 EDAB in-vitro CC(=O)c1ccc(NC(=O)C[C@@H]2N[C@@H]3CCCC[C@@H]3NC2=O)cc1 5830449 IDBSMNWITVOZEX-PMPSAXMXSA-N 329.400 1.617 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)C(C)C 6976250 QSVMFICPEYEGMB-GOSISDBHSA-N 345.443 1.699 0 40 EDAB COc1ccccc1-n1c(SCC(N)=O)nnc1N1CCCCC1 6994069 KHAIWIQEHMVXAC-UHFFFAOYSA-N 347.444 1.844 0 40 EDAB C[C@H]1CN(C(=O)CN2CCC[C@H](Cc3nccn3C)C2)C[C@@H](C)O1 90004449 ODPCIIPVZRLGGX-OWCLPIDISA-N 334.464 1.310 0 40 EDAB COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)N2CCCC2)cc1 16368923 PGCFAYOOKREKGV-LBPRGKRZSA-N 347.444 1.833 0 40 EDAB C[C@H](C(=O)c1ccc(F)c(F)c1)n1cnc2c1c(=O)n(C)c(=O)n2C 8011987 XYFNFEGTVXJPID-MRVPVSSYSA-N 348.309 1.156 0 40 EDAB CCN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 21881000 MYMSREUPVPPDMC-UHFFFAOYSA-N 337.445 1.288 0 40 EDAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 113943628 PWICJBWBRWDVCT-UHFFFAOYSA-N 347.396 1.799 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCN(C[C@@H](O)C(C)(C)C)CC3)c2n1 70011886 SRHGJEDVHPCWKZ-OAHLLOKOSA-N 345.447 1.203 0 40 EDAB Cc1ccccc1OCCN1CCN(Cc2cnn(CCO)c2)CC1 70009617 KSVBYGGOVVVASS-UHFFFAOYSA-N 344.459 1.380 0 40 EDAB CCN1CCCN(C(=O)NCCNC(=O)c2ccc(F)cc2)CC1 96482483 MQYWICWJCCTZNZ-UHFFFAOYSA-N 336.411 1.293 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCC(=O)O)c1 9582226 YCKQGTQFADYNGQ-UHFFFAOYSA-N 346.380 1.061 0 40 EDAB Cc1cc(C)c(C)c(OCCC(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 71884108 VJRGYJVLXYJVCR-HNNXBMFYSA-N 339.457 1.932 0 40 EDAB CC(C)(C)C(=O)COC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 71921403 LHSSMWUHZBUBHT-CYBMUJFWSA-N 331.368 1.664 0 40 EDAB O=C(CCC1CCCC1)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 71921224 OYTSJFGMDLSMAU-INIZCTEOSA-N 342.505 1.725 0 40 EDAB C[C@@H](Cc1c(F)cccc1F)NS(=O)(=O)N(C)C1CCOCC1 71916201 SPSRZEPAMXKQAY-NSHDSACASA-N 348.415 1.841 0 40 EDAB CCCn1cnc(S(=O)(=O)Nc2cccnc2-n2cccn2)c1 89960742 IDFMZXVNAJGGKM-UHFFFAOYSA-N 332.389 1.675 0 40 EDAB CN1C[C@]2(CCN(C(=O)c3ccccc3N3CCOCC3)C2)OC1=O 72156223 ZVOQGDVKLMNDPJ-SFHVURJKSA-N 345.399 1.190 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1OC 75572323 DNULIDGNRDXJDK-NSHDSACASA-N 343.401 1.640 0 40 EDAB COc1cc(Br)ccc1C(=O)N1CCN(CCO)CC1 75604747 LTXTUESUSVHMJW-UHFFFAOYSA-N 343.221 1.208 0 40 EDAB C[C@@H]1CN(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CCO1 72235865 PHLASWJVMIMUQL-AEFFLSMTSA-N 346.475 1.405 0 40 EDAB O=C(CCc1ccc(Cl)s1)NCCCN1C(=O)CNC1=O 72273280 KBMFEJBDLGBHOR-UHFFFAOYSA-N 329.809 1.392 0 40 EDAB O=C(O)C1CCN(C(=O)CCc2nc(-c3ccccc3)no2)CC1 72291171 QAWOMLLCBSKXBS-UHFFFAOYSA-N 329.356 1.992 0 40 EDAB CC(=O)Nc1cccc(C(=O)N2CCC(OCCN(C)C)CC2)c1 72281861 VPAPLZJLTWILEE-UHFFFAOYSA-N 333.432 1.828 0 40 EDAB Cc1cc(CN2CCN(CC(N)=O)CC2)c(OC(F)F)cc1C 97032580 XXBGKWGWLRFCFW-UHFFFAOYSA-N 327.375 1.508 0 40 EDAB CC(C)c1ccc(-n2cnnc2SCC(=O)NCCCO)cc1 97176053 IEKGXNFIHISYDU-UHFFFAOYSA-N 334.445 1.981 0 40 EDAB C[C@@H](OC(=O)[C@@H]1CCCS1)C(=O)NC(=O)NC1CCCCC1 72312542 OSZVNVKITRTUQX-PWSUYJOCSA-N 328.434 1.972 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1C 76058661 WIYGJUSYLQQTRK-FZMZJTMJSA-N 328.482 1.527 0 40 EDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC[C@@H]1COCCO1 84687023 OQNHKNCVNVEGAG-RAIGVLPGSA-N 336.363 1.565 0 40 EDAB CCOCCCn1c(=C(C#N)C#N)s/c(=C\c2cccs2)c1=O 78288917 NUBWKGVVZFPNCB-ZROIWOOFSA-N 345.449 1.425 0 40 EDAB CCN1CC[C@@H](N(C)CCOc2cccc(S(C)(=O)=O)c2)C1 95399435 RBIXAVWRVQCJCE-CQSZACIVSA-N 326.462 1.495 0 40 EDAB CN1CCN(Cc2cccc(S(=O)(=O)N(C)C)c2)c2cccnc21 95442017 YWWDLOBTTXMDMT-UHFFFAOYSA-N 346.456 1.788 0 40 EDAB Cc1nn(C)c2c(N3CCN(C(=O)c4ccccc4)CC3)ncnc12 28557307 WPYOFXFKXCCQHO-UHFFFAOYSA-N 336.399 1.634 0 40 EDAB CC[C@H](NS(=O)(=O)N(C)C)[C@@H](O)c1ccc(C(F)(F)F)cc1 95433141 IHFVIMIXVPNJRW-RYUDHWBXSA-N 340.367 1.913 0 40 EDAB NC(=O)CN1CCC(N[C@H]2CC3(CCC3)Oc3ccccc32)CC1 95419805 LAEWREDAGNHXOS-INIZCTEOSA-N 329.444 1.972 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 95447251 ZHGUOBRCTOMNRQ-TVQRCGJNSA-N 341.774 1.492 0 40 EDAB O=C1CN(C(=O)c2cnn(-c3ccccc3)n2)[C@@H]2CCCC[C@H]2N1 98019288 BYYGRYCWXGDLGJ-UKRRQHHQSA-N 325.372 1.151 0 40 EDAB Cc1ccc(N[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1C(N)=O 98014367 KDXHPOPHJGGEKO-OAHLLOKOSA-N 327.388 1.435 0 40 EDAB Cc1ccccc1NC(=O)[C@H]1CSCN1S(=O)(=O)N(C)C 78979105 UBFYAHUMLYSQRL-GFCCVEGCSA-N 329.447 1.115 0 40 EDAB CO[C@@H]1CCC[C@H]1OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 78985160 ZAVFRIOCPRKWPU-ZIAGYGMSSA-N 332.356 1.191 0 40 EDAB C[C@H](NCC(=O)N1CCC[C@H](C(N)=O)C1)c1ccc(F)c(Cl)c1 95984590 PQFZGZMVSUUFEN-JQWIXIFHSA-N 341.814 1.854 0 40 EDAB CCCCN(C)S(=O)(=O)c1ccc(NCc2ncnn2C)cc1 86191300 DLLCTEYWWWBBIN-UHFFFAOYSA-N 337.449 1.848 0 40 EDAB Cc1cc(N2CCC(N(C)CCCS(C)(=O)=O)CC2)nc(C)n1 89599370 RFAOUSSYEKGDHU-UHFFFAOYSA-N 340.493 1.429 0 40 EDAB C[C@H](N1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1)C(F)(F)F 89598439 NPJZKCRRTKPJPW-JSGCOSHPSA-N 348.413 1.749 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC(c2n[nH]c(C3CC3)n2)CC1 75138945 ZMNVQNCLYPYMCM-DOMZBBRYSA-N 347.463 1.545 0 40 EDAB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@@]1(C3OCCO3)C=C[C@H]2O1 409290746 NDERKFNTXRYETM-HPTBWKMGSA-N 347.754 1.526 0 40 EDAB COCc1nc2n(n1)C[C@@H](NCc1cccc3nsnc13)CC2 1560376081 ONVAFMMIHIMQLG-NSHDSACASA-N 330.417 1.534 0 40 EDAB Cc1cc(CN2Cc3cncn3[C@@H](C(=O)N3CCCC3)C2)n(C)n1 306123647 ASXRCRMVCZNJDW-MRXNPFEDSA-N 328.420 1.104 0 40 EDAB Cn1cc(CCC(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)cn1 516100393 OBFBKKRTNTWNQR-CQSZACIVSA-N 339.403 1.108 0 40 EDAB COC(=O)[C@H]1[C@@H](c2ccco2)N(Cc2ccccc2)O[C@H]1[C@@H](O)OC 3849522 RNUIIBQFSACBLH-LHHMISFZSA-N 347.367 1.891 0 40 EDAB biogenic Cc1n[nH]cc1S(=O)(=O)N1CCc2ccc(C(=O)O)cc2CC1 530435402 ZYJFGVPZAPESCA-UHFFFAOYSA-N 335.385 1.206 0 40 EDAB Cc1nccn1-c1cncc([C@@H]2CCCN2C(=O)CN2CCCC2)n1 72378798 ICEOREGFJJWYQN-INIZCTEOSA-N 340.431 1.730 0 40 EDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C1(CO)CO 218206315 PXXOQHFPRGRIOS-NEPJUHHUSA-N 349.246 1.321 0 40 EDAB C[C@H](N)C(=O)N1CC[C@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 79413050 AZMXTTOLMYGCJD-HOCLYGCPSA-N 345.443 1.983 0 40 EDAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCN1CCOCC1 216260853 ZHSKWLKRDLCDJA-HNNXBMFYSA-N 326.824 1.946 0 40 EDAB Cc1ccc(CN2CCc3c(nc(N4CCOCC4)[nH]c3=O)C2)o1 36735003 HYSUIMSBJXOXLB-UHFFFAOYSA-N 330.388 1.066 0 40 EDAB Cc1sc(NC(=O)CN2CCS(=O)(=O)C[C@H]2C)c(C)c1C 75765462 WQXXSKITCGGNJE-SECBINFHSA-N 330.475 1.731 0 40 EDAB CCc1cccc(S(=O)(=O)NC[C@@H](C(=O)O)C2CCOCC2)c1 520398182 UPGTUUJSBTUZBN-OAHLLOKOSA-N 341.429 1.655 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 225413941 KOGYPBQMFDMZGA-PTSORBJCSA-N 333.432 1.648 0 40 EDAB O=C(NC[C@@H](Oc1ccc(Br)cc1)C(=O)O)C1CC1 567971500 HPNIYDRLDIJBSM-LLVKDONJSA-N 328.162 1.807 0 40 EDAB Cc1nc(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)nc2ccccc12 193661914 GXKXWNLJYAJFAT-CQSZACIVSA-N 349.394 1.790 0 40 EDAB COC(=O)c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](N(C)C)C1 225448266 QAWYSTWXFMBFFU-SNVBAGLBSA-N 346.836 1.451 0 40 EDAB CS(=O)(=O)N[C@@H](CC(=O)N1CCCC1)c1ccc(Cl)cc1 225951953 OUTLYXRIFSBAJZ-ZDUSSCGKSA-N 330.837 1.943 0 40 EDAB C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccn(C)c(=O)c1 421633937 ORXBZRTUPNOBFG-TZMCWYRMSA-N 334.416 1.968 0 40 EDAB COc1ccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1 224224875 ONFUPIKXZVTETK-UHFFFAOYSA-N 342.399 1.560 0 40 EDAB O[C@H]1C[C@@H](c2ccc(F)cc2)N(c2cc(N3CCOCC3)ncn2)C1 583616309 QNFQOLSWADAGQN-HOTGVXAUSA-N 344.390 1.765 0 40 EDAB O=C(NCc1ccc(OC(F)F)cn1)N1CCC[C@]2(CCNC2)C1 584042951 JHCCTJYGOLNFLG-MRXNPFEDSA-N 340.374 1.968 0 40 EDAB O=C(C1CCOCC1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96220413 LDIBGPCAPBWMJO-UXLLHSPISA-N 332.400 1.645 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccoc1)C2)c1cscn1 96206845 MWXBRXXDMPFFNG-CJNGLKHVSA-N 333.413 1.615 0 40 EDAB CC(C)CCN1C[C@H]2CCN(C(=O)C(C)C)CC[C@H]2S1(=O)=O 96263753 DTBBBCCDSWUCOM-HUUCEWRRSA-N 330.494 1.941 0 40 EDAB CCS(=O)(=O)N1CC[C@@H](OC)[C@H]2CN(Cc3ccco3)C[C@H]21 96108613 IOPGKMWRWAGXSI-RRFJBIMHSA-N 328.434 1.150 0 40 EDAB Cc1ccc(C)c(C(=O)NCCS(=O)(=O)N2CCSCC2)c1 96404688 JWACDVNIDVGPKO-UHFFFAOYSA-N 342.486 1.412 0 40 EDAB COc1ccnc(N2CCN(c3cc(C)nc(C4CC4)n3)CC2)n1 265378775 QLMISISJWJXLOR-UHFFFAOYSA-N 326.404 1.788 0 40 EDAB O=C(Cc1ccsc1)N1C[C@@H]2OCCN(c3ncccn3)[C@@H]2C1 96246528 INNNWBGYRGUMEP-KGLIPLIRSA-N 330.413 1.197 0 40 EDAB CC1=N[C@@]2(CC[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]32)C(=O)N1CC1CC1 96261460 AQVDEUDTUQFSLR-ZIFCJYIRSA-N 341.459 1.671 0 40 EDAB CNC(=O)c1cc2c(nc1NC(C)C)CCN(C(=O)NC(C)C)CC2 96260426 XWKNGDBKOSMSIG-UHFFFAOYSA-N 347.463 1.780 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(C(=O)N3CCCC3)Cc3nccn3C2)n1 96188723 SRWPBOVCJDSVRP-HNNXBMFYSA-N 343.435 1.439 0 40 EDAB CCOC[C@@H]1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)C1 96436546 RFEQSASTZCUYEN-QGZVFWFLSA-N 346.475 1.479 0 40 EDAB O=S(=O)(NC[C@@]1(O)CCCc2ccccc21)c1cncc(F)c1 96483489 FZXILECKNFCZTM-INIZCTEOSA-N 336.388 1.723 0 40 EDAB Cc1noc([C@H]2CCC3(CCN(C(=O)c4cnn(C)c4)CC3)O2)n1 96109989 JDJOYNIJINAKJZ-CYBMUJFWSA-N 331.376 1.638 0 40 EDAB Cn1cc(CN2CCC3(CC[C@@H](C(=O)N4CCCO4)O3)CC2)cn1 96209912 WLMCZMLOLSBTDU-HNNXBMFYSA-N 334.420 1.098 0 40 EDAB CCS(=O)(=O)NCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 96414955 CLWIWSCLRWBKBX-CQSZACIVSA-N 342.436 1.660 0 40 EDAB CN(C)C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 96420803 VZCSZAQQYWSKBS-SFHVURJKSA-N 331.460 1.440 0 40 EDAB CN1CCN([C@H]2COC3(CCN(Cc4ccccn4)CC3)C2)CC1 96048850 WPTBVUHIVXIKFW-GOSISDBHSA-N 330.476 1.453 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96224347 NLPVFKUVNPCZAZ-VQIMIIECSA-N 343.427 1.459 0 40 EDAB C[C@H](C1CC1)N(C(=O)Cn1c(-c2ncccn2)noc1=O)C1CC1 96402735 JCVBMDHLGSLTMH-SNVBAGLBSA-N 329.360 1.083 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)Cc2cccc(OC)c2)Cc2ccnn21 247950388 LPCNZEPRHBOCGC-OAHLLOKOSA-N 342.399 1.154 0 40 EDAB CCO[C@@H](CCNC(=O)NCCCCS(N)(=O)=O)C1CCCC1 585087074 ZABXMQNXGBLJBT-AWEZNQCLSA-N 349.497 1.340 0 40 EDAB O=C(c1ccccn1)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247829063 KFDDTHNNEJVIHW-AWEZNQCLSA-N 339.399 1.605 0 40 EDAB Cn1cc(C[C@@H](CO)NS(=O)(=O)c2cc(F)cc(Cl)c2)cn1 585141988 KROGUKDEDFTWBZ-LBPRGKRZSA-N 347.799 1.095 0 40 EDAB O=C(Cc1ccsc1)NC[C@]1(O)CCCN(c2ccccn2)C1 257264834 LWDTYMQHUZDVCV-QGZVFWFLSA-N 331.441 1.833 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)c3noc(C)c3COC)CCO2)n1 257217120 CXNVHIPLDQMJHK-AWEZNQCLSA-N 346.387 1.780 0 40 EDAB CO[C@H](CN1CC[C@H](S(=O)(=O)NC(C)C)C1)c1ccccc1 252483005 DSEPMBBLYYXZMU-JKSUJKDBSA-N 326.462 1.776 0 40 EDAB CC(=O)N[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)O[C@@H]2CCCC[C@@H]12 257254848 KEXRLSRPONXAMB-RRFJBIMHSA-N 344.477 1.264 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)CCOc2ccccc2)n1 257284432 PCRQJVRLDYIVDC-MRXNPFEDSA-N 343.383 1.860 0 40 EDAB O=C(c1cccnc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257313862 UUJWPRSEOPNBGJ-OAHLLOKOSA-N 325.359 1.390 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)n1 257213674 CIPZTXCKLNKLTP-HNNXBMFYSA-N 329.404 1.576 0 40 EDAB O=C(COc1ccccc1Cl)N1CC[C@@](O)(CN2CCCC2)C1 257227295 FOOQKZMAQPMLEF-QGZVFWFLSA-N 338.835 1.778 0 40 EDAB CN(C)C(=O)CN1CCC(c2ccnc(Nc3ncccn3)c2)CC1 257250390 JMIPCHZACVUXIQ-UHFFFAOYSA-N 340.431 1.883 0 40 EDAB COCC(=O)N1CCC[C@H](c2nccnc2-c2c(C)nn(C)c2C)C1 257306288 STRLJVVDLBMYEG-AWEZNQCLSA-N 343.431 1.846 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1CCOC[C@@H](Cc2ccncn2)C1 257235618 GYQLNNKQXMGNNC-HNNXBMFYSA-N 343.431 1.169 0 40 EDAB CCCn1ccnc1CN1CCO[C@@H](CCc2cc(O)ncn2)C1 257206890 BFIXHVGTEHKVTP-HNNXBMFYSA-N 331.420 1.622 0 40 EDAB CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)C[C@@H](C)C(=O)OC 268105116 XUHXGIATFRNLCJ-MRVPVSSYSA-N 348.808 1.250 0 40 EDAB C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CCO1 271306805 VULFQQALFRLXPZ-NXHRZFHOSA-N 347.459 1.927 0 40 EDAB O=C(O)[C@@H](NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCO1 630424631 XFGZSKZBHBAVHC-FQUUOJAGSA-N 325.386 1.094 0 40 EDAB Cn1nccc1[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)n2C)C[C@H]1N 1615588975 DZVVLTUZBCMJJG-HZPDHXFCSA-N 349.438 1.993 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](Oc2ccncn2)C1 575606278 UGIULIDRUAZIDP-AWEZNQCLSA-N 329.404 1.819 0 40 EDAB COc1cc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)ccn1 585276782 IYWCMHGHUITXRN-IBGZPJMESA-N 342.395 1.536 0 40 EDAB COCCN1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccnn3C)[C@H]2C1 585109836 ZOIPRIUWXBOTLC-XYJFISCASA-N 340.427 1.567 0 40 EDAB Cc1cc(NC(=O)NCc2ccccc2CN2CCOCC2)n(C)n1 43434655 WKCNYHVLBQBPOG-UHFFFAOYSA-N 343.431 1.882 0 40 EDAB CCn1cc(NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)cn1 47499825 YEVNMAYGVUFMSA-UHFFFAOYSA-N 343.435 1.372 0 40 EDAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(CC)C2)c1 49126818 NYDKACXPQRYVDY-XJKSGUPXSA-N 345.443 1.700 0 40 EDAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccnc(-n2cncn2)c1 53807401 HSQXPPGIACETFN-OAHLLOKOSA-N 348.410 1.919 0 40 EDAB CN(C)c1ccccc1NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 67563821 UPZRQXRAVITTSG-LBPRGKRZSA-N 340.449 1.298 0 40 EDAB Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCCC[C@@H]2C)cc1F 69591841 RGDWRELXOIUKKR-ZDUSSCGKSA-N 349.406 1.980 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H]2CCCNC2)c(Br)c1 71397328 IJCRIAOHYMKXOV-SNVBAGLBSA-N 333.251 1.788 0 40 EDAB CC(C)c1nccn1-c1cncc([C@H]2CCCN(CC(N)=O)C2)n1 72378836 FGSMOCUJIXUXNL-ZDUSSCGKSA-N 328.420 1.450 0 40 EDAB O=S(=O)(CCc1ccccc1)N1CCCN([C@H]2CCOC2)CC1 1565522067 AXCAJMCZAQVCTP-KRWDZBQOSA-N 338.473 1.356 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(N(C)C)nc1 88360514 AOVNPYCLUNPGTC-GFCCVEGCSA-N 329.408 1.958 0 40 EDAB O=C([C@H]1NCCOc2ccccc21)N1CCN(c2ccccn2)CC1 1615614797 KWTJYRAJSAIEEB-SFHVURJKSA-N 338.411 1.454 0 40 EDAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCC[C@H]3C)nc12 12145074 PQCIDXBLRLOZPC-CYBMUJFWSA-N 341.415 1.872 0 40 EDAB COCC(=O)NCCc1nc2cc(-c3ccc(OC)cc3)ncn2n1 12234666 YDALEGAVPMWYMC-UHFFFAOYSA-N 341.371 1.105 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)c2nnc3ccccn23)cc1 13735425 ARIBPFAIIURIBB-NSHDSACASA-N 332.385 1.777 0 40 EDAB COCc1nnc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)s1 19557732 YCICYQAEKPXEJR-UHFFFAOYSA-N 348.363 1.965 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)Cn1c(cc3ccccc31)C(=O)O2 19572355 GMLMETQBRDLYGO-UHFFFAOYSA-N 334.397 1.606 0 40 EDAB COCCNC(=O)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 206689844 SRCRHDOTPWBVGQ-CYBMUJFWSA-N 326.418 1.281 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)NCc1cccc(O)n1 536650996 CSMUUQDORINHHD-UHFFFAOYSA-N 330.369 1.265 0 40 EDAB O=C(c1cccnc1O)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888850376 HKCFPKCLIHGBFU-LBPRGKRZSA-N 340.383 1.996 0 40 EDAB O=S(=O)(C1CC1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1888870093 OVCUEDATBCHVPX-UHFFFAOYSA-N 347.444 1.673 0 40 EDAB CCCN(Cc1nc(-c2ccco2)no1)[C@@H]1CCS(=O)(=O)C1 26662683 PBRGKNSPRRTUNV-LLVKDONJSA-N 325.390 1.729 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)N[C@@H](C)[C@H]3CCCO3)ccc2c1=O 32638576 NPTUTABJEKDIKU-XHDPSFHLSA-N 345.399 1.568 0 40 EDAB CNCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3nccs3)n2)C1 2037835095 YKSZQNZVXFISOX-LBPRGKRZSA-N 346.460 1.911 0 40 EDAB Cc1cc(Nc2nccs2)nc([C@H]2CCN(S(C)(=O)=O)C2)n1 2037836054 OGPFHKRLZJMAJH-JTQLQIEISA-N 339.446 1.734 0 40 EDAB CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)[C@H]1CCOC1)C2 1565551437 FILFRNURPWOQOL-ZDUSSCGKSA-N 346.431 1.465 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CC1)CCN(c1ccsc1)C2=O 1565544142 DYNXOVAPXOIJFY-FICVDOATSA-N 346.452 1.986 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)CSCC1=O 2710706 UKMBIULTBWSFIF-UHFFFAOYSA-N 328.777 1.389 0 40 EDAB CC(C)(C)n1ncc2c(=O)n(CCC(=O)Nc3ccccn3)cnc21 13516837 DVBHSBFUIXGQKK-UHFFFAOYSA-N 340.387 1.772 0 40 EDAB O=C(NCc1ccco1)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055715746 GBTHBVUYRHWRIC-GFCCVEGCSA-N 342.399 1.637 0 40 EDAB Cc1cc(N2CCN(c3ccc4nnc(C)n4n3)CC2)n2nccc2n1 1775974755 OLBJODBDGCWRCH-UHFFFAOYSA-N 349.402 1.110 0 40 EDAB Cc1cc(OC2CN(C(=O)[C@@H]3COc4ccccc4O3)C2)cc(=O)o1 206957729 HGAPCKOJERQIAE-INIZCTEOSA-N 343.335 1.378 0 40 EDAB O=C(Cc1noc2ccccc12)N1CC[C@H](Oc2cnsn2)C1 618256787 MPNLLEYVEOGNFR-JTQLQIEISA-N 330.369 1.902 0 40 EDAB O=C(NC[C@H](OCCO)c1cccs1)[C@H]1COc2ccccc2O1 575608923 PZQJOPJZGSIXRK-LSDHHAIUSA-N 349.408 1.754 0 40 EDAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCNCC2)on1 12232471 XNOMYXLSPLGUQE-UHFFFAOYSA-N 329.404 1.744 0 40 EDAB CCOC(=O)CC[C@@H](NC(=O)c1ccc(NC)s1)C(=O)OCC 34382888 OIUDYHGOODXYDK-SNVBAGLBSA-N 342.417 1.795 0 40 EDAB O[C@@H](CN1CCOCC1)Cn1c(C(F)(F)F)nc2ccccc21 20059898 FPIYBMQBAZLXNK-NSHDSACASA-N 329.322 1.748 0 40 EDAB COc1ccccc1-c1noc(CN2CCN(C(=O)N(C)C)CC2)n1 30968657 DQLCKTDJPTXYQZ-UHFFFAOYSA-N 345.403 1.544 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1 40488813 LFGDAOAQEQZCIZ-UHFFFAOYSA-N 331.294 1.327 0 40 EDAB C[C@H]1CN(CCNC(=O)CCn2c(=O)oc3ccccc32)C[C@H](C)O1 40489260 ZQCCFVLSMCDPIZ-KBPBESRZSA-N 347.415 1.210 0 40 EDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OC)c(OC)c1 66913 XEYBAFGGMXOYQC-AWEZNQCLSA-N 345.359 1.542 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 429220 DBBBDGAKWPNSQX-UHFFFAOYSA-N 345.399 1.728 0 40 EDAB COCCn1c(S[C@H](C)C(=O)N(C)C)nnc1-c1ccncc1 7777226 SSPHBNXHNVSNKB-LLVKDONJSA-N 335.433 1.555 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccccc2Cn2ccnc2)CC1 40501126 NAEROEAKZJEUQJ-UHFFFAOYSA-N 341.415 1.338 0 40 EDAB O=C(NCc1ccc(C(=O)N2CCNCC2)cc1)C1CCCCC1 31946798 CJBKYEWJZIHQTF-UHFFFAOYSA-N 329.444 1.929 0 40 EDAB Cn1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1=O 91766087 UFMLUQLMUNUVLU-IUODEOHRSA-N 334.322 1.612 0 40 EDAB Cc1ccc(SCC(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101336777 VAJVZQDRTMYAAN-APYUEPQZSA-N 342.420 1.925 0 40 EDAB CCNC(=S)N(CCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O 4132851 KTBNOBCQCDJAHE-UHFFFAOYSA-N 333.457 1.834 0 40 EDAB CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC)cc2c1 4133430 FFWVBXNFOGMRCH-UHFFFAOYSA-N 346.500 1.958 0 40 EDAB CCC(=O)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 4231170 KQZOSRHQTFTBEF-UHFFFAOYSA-N 332.356 1.030 0 40 EDAB Cc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4512384 POXAKRISOWOOGE-RPERQONWSA-N 329.352 1.674 0 40 EDAB Cc1ccc(NC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101664040 NWQIEGJKQLJRSK-SDADXPQNSA-N 339.395 1.924 0 40 EDAB aggregator CSc1nnc(C)n1NC(=S)NC(=O)c1ccccc1F 6861496 LCRKQMGNJNKQRI-UHFFFAOYSA-N 325.394 1.706 0 40 EDAB CCOC(=O)C1=C(COC)Nc2ncnn2[C@@H]1c1cccc(F)c1 8476546 KAJJSHHVBVIXHV-CQSZACIVSA-N 332.335 1.896 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2cc(Br)c[nH]2)n(C)n1 32858377 LXWCGYFBVMOOQB-UHFFFAOYSA-N 341.165 1.615 0 40 EDAB CCOc1ncccc1C(=O)N1CSC[C@H]1C(=O)N(CC)CC 69616690 AUNCNVJSPOAKJS-ZDUSSCGKSA-N 337.445 1.864 0 40 EDAB CC(=O)N1CCN(C(=O)c2cc(C)n(Cc3ccccn3)c2C)CC1 46698421 WCMPSPPQSSYATB-UHFFFAOYSA-N 340.427 1.853 0 40 EDAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(C[C@@H]2CCCO2)CC1 33028380 VUWOMOHFVKICRF-AWEZNQCLSA-N 341.411 1.465 0 40 EDAB CC[C@@](NC(=O)CN1CCCCCC1=O)(C(=O)OC)c1ccccc1 69615329 HXDNCCMDMFGBPC-IBGZPJMESA-N 346.427 1.984 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)NCC2(N(C)C)CCCC2)cc1 41630929 NSFXFMSXXMPEBA-UHFFFAOYSA-N 339.461 1.199 0 40 EDAB CCNC(=O)CNC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 69626397 HORQGCWMPXNGIK-CMPLNLGQSA-N 329.322 1.997 0 40 EDAB CCOc1ccc(C(=O)N2CCC(Nc3cccnn3)CC2)cn1 69655458 OYTKNCQPOKSIIU-UHFFFAOYSA-N 327.388 1.987 0 40 EDAB CN(CC(N)=O)C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 46980167 GCAIYAWMTCGOJN-SNVBAGLBSA-N 344.337 1.261 0 40 EDAB O=C(NC1CCCCCC1)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 23584684 DUXRDVPDFKXNSN-INIZCTEOSA-N 342.505 1.725 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 23640942 FGOUJGVAKQCNEC-OAHLLOKOSA-N 349.862 1.966 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1Cl 54530878 QTUAGFJRDHUJMD-UHFFFAOYSA-N 331.807 1.891 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2ccc(OC)cc2)C1 57318747 YUMQITRIJVUDBV-GOEBONIOSA-N 348.443 1.627 0 40 EDAB O=C(c1ccc[nH]c1=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24137869 HHMVGZDBIHNGFB-UHFFFAOYSA-N 339.395 1.268 0 40 EDAB CC(=O)N[C@@H](CC(=O)NCc1nnc2n1CCC2)c1ccc(C)cc1 54905719 JXEHRGJDLCZSIQ-HNNXBMFYSA-N 341.415 1.416 0 40 EDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)N(C[C@H]1CCOC1)C1CC1 106101315 OCVNUABDUKYZIQ-CABCVRRESA-N 345.447 1.656 0 40 EDAB O=C(C[C@H]1SC2=NCCN2C1=O)Nc1ccc(OC(F)F)cc1 61719341 IHTLIUGGJYGVJR-SNVBAGLBSA-N 341.339 1.930 0 40 EDAB O=C(NCc1ccccc1)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 24987079 FJAGZZSSEBGGNO-IAGOWNOFSA-N 333.432 1.223 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cccc(CN2CCCC2)c1 106519122 KBCFGHJDFUENKT-OALUTQOASA-N 343.471 1.875 0 40 EDAB CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612466 SUDMVJMWPQLLDY-UHFFFAOYSA-N 328.409 1.456 0 40 EDAB CCc1nc(CC(=O)N2CCC[C@@H]2C(=O)NCC(F)(F)F)cs1 56133336 FTHFCIUWIFHRPX-SNVBAGLBSA-N 349.378 1.918 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)C1CC1 56111597 FAGOCNXCEZAZMA-CHWSQXEVSA-N 339.436 1.465 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cc1 12537751 JNGBPJLQABLJAK-UHFFFAOYSA-N 343.368 1.318 0 40 EDAB Cc1noc(-c2cccnc2N2CCO[C@@](C)(c3cnn(C)c3)C2)n1 89721266 XAFWYIGRVJQXAR-QGZVFWFLSA-N 340.387 1.926 0 40 EDAB Cc1cccc(N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)c1C 44295734 LTGRUAYRNAJJSV-INIZCTEOSA-N 329.444 1.820 0 40 EDAB Cn1cncc1CNCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 108420604 PAEYGJOGOHZZQV-KRWDZBQOSA-N 341.459 1.407 0 40 EDAB CNC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1 8033760 SNIFPUCOEJGNQJ-UHFFFAOYSA-N 325.368 1.805 0 40 EDAB O=C(NC[C@H]1CCCO1)C1CCN(C(=O)c2ccc(F)cc2)CC1 20612492 AGSPIGGSNFNIQY-MRXNPFEDSA-N 334.391 1.973 0 40 EDAB Cc1ccc(-n2cnnn2)cc1NC(=O)CCNC(=O)[C@@H]1C[C@H]1C 44600100 UAJSXMOOBKHCKE-DGCLKSJQSA-N 328.376 1.072 0 40 EDAB Cc1cc(N2CCC[C@H](OC(=O)c3ccn(C)c(=O)c3)C2)nc(C)n1 66732526 ICFTWEAATSAZAZ-HNNXBMFYSA-N 342.399 1.618 0 40 EDAB O=C(N1CCOCC1)N1CCN(Cc2ccn(C3CCCC3)n2)CC1 89884712 VWPZRXGUKAQSMN-UHFFFAOYSA-N 347.463 1.568 0 40 EDAB CC(C)c1noc(CCCNC(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)n1 110648181 PIMKXNFTNAAXSE-XJFOESAGSA-N 334.420 1.944 0 40 EDAB Cc1ccc(C(=O)NCCCNS(C)(=O)=O)cc1-n1cccc1 44706776 PBZRWQOKWQSJHI-UHFFFAOYSA-N 335.429 1.455 0 40 EDAB COc1ccccc1S(=O)(=O)NCCC(=O)Nc1cccc(C)n1 58193572 TZJYVNJNONPMOJ-UHFFFAOYSA-N 349.412 1.706 0 40 EDAB NS(=O)(=O)c1ccc(CCC(=O)NCCc2cccs2)cc1 44868204 KXKCUYKQFOPVRF-UHFFFAOYSA-N 338.454 1.687 0 40 EDAB Cc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)nc1 27644634 ZHBNNNOLELZYBT-UHFFFAOYSA-N 344.396 1.457 0 40 EDAB CCc1ccc(CNC(=O)CSCC(=O)N2CCOCC2)s1 58294288 YLEFLEYFHHENQE-UHFFFAOYSA-N 342.486 1.519 0 40 EDAB Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H]1CCCNC1=O)C(C)C 58201970 XQHGJRRQZZZCEM-HUUCEWRRSA-N 331.416 1.144 0 40 EDAB NC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(F)cc2)cc1 3235803 FHEQHLOQJXMVCI-UHFFFAOYSA-N 330.315 1.649 0 40 EDAB CN(C)c1cc(N2C[C@H]3OC[C@H](CN4CCCCC4)[C@H]3C2)ncn1 306123362 AKYUGMHIYZQJEV-ARFHVFGLSA-N 331.464 1.480 0 40 EDAB Cc1cc(=O)c(C(=O)N2C[C@@H](C)OC[C@@H]2C)nn1-c1ccccc1F 44909505 CJWNJJFIKKEXTJ-QWHCGFSZSA-N 345.374 1.929 0 40 EDAB O=C1CN(C(=O)CSc2nnc3ccccn23)c2ccccc2N1 3346518 LULBQMQTHWYRCP-UHFFFAOYSA-N 339.380 1.807 0 40 EDAB CC[C@](C)(CNC(=O)NCc1csc(C)n1)N1CCOCC1 45342743 BETBBTCGBFOAKW-OAHLLOKOSA-N 326.466 1.752 0 40 EDAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCNC(C)=O 3316394 HIBVUPICIXNAFD-UHFFFAOYSA-N 328.752 1.357 0 40 EDAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 12784677 RURFRULIOJLMSO-NSHDSACASA-N 347.396 1.585 0 40 EDAB COC(=O)CC[C@@H]1NC(=S)N(CCc2ccc(OC)cc2)C1=O 12769695 JLQLMKCPSAEDJJ-ZDUSSCGKSA-N 336.413 1.276 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)NCCOc2ccc(F)cc2)C1 48251965 QZBCWNBOBZXTIV-ZDUSSCGKSA-N 347.394 1.922 0 40 EDAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)Nc1ccon1 12873483 HPWHEXRFVBWMGY-UHFFFAOYSA-N 346.343 1.294 0 40 EDAB CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2c(F)cccc2F)C1=O 3487647 OVZIOUZPPLIWIS-LLVKDONJSA-N 325.315 1.870 0 40 EDAB Cc1cc([C@@](C)(O)CNC(=O)[C@H]2CCCN2c2ncccn2)c(C)o1 81818862 WBYGAFCPEOEJRW-QAPCUYQASA-N 344.415 1.679 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Nc1cc(F)ccc1OC[C@H]1CCCO1 69740649 GMVRUJMBNJNUPP-CMPLNLGQSA-N 339.367 1.640 0 40 EDAB CC1(C)NC(=O)N(CCCC(=O)Nc2ccc3c(c2)OCO3)C1=O 8313736 JHCDOIZHQVVXLV-UHFFFAOYSA-N 333.344 1.464 0 40 EDAB CS(=O)(=O)NCCNC(=O)[C@@H](OC1CCCC1)c1ccccc1 69415427 HXEVFJXKOPYYLT-HNNXBMFYSA-N 340.445 1.352 0 40 EDAB N=C(N)NC1=NC(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)S1 13729327 ARGNPSFGIFAWGD-GFCCVEGCSA-N 341.396 1.649 0 40 EDAB COc1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1 4301860 CPYJLNVBYANJFH-UHFFFAOYSA-N 332.364 1.147 0 40 EDAB Cc1ccc(N2CCC(C(=O)NCCNC(=O)C3CC3)CC2)nc1 65407682 MRXUMOJBMUDRAE-UHFFFAOYSA-N 330.432 1.249 0 40 EDAB CN(Cc1ccc(O)cc1)C(=O)N[C@H]1CCCc2c1cnn2CCO 65449212 XDMQTJTYONPBJM-INIZCTEOSA-N 344.415 1.800 0 40 EDAB CC1(C)NC(=O)N(CCCC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1=O 65495052 AKRRAFUESSZYEP-SNVBAGLBSA-N 349.353 1.898 0 40 EDAB CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 14139833 OILAIEHYHDJHPB-VXGBXAGGSA-N 326.418 1.234 0 40 EDAB CCc1nc2n(n1)C[C@H](NC[C@@H](O)COCc1ccccc1)CC2 69875255 AURITJDZEUWWMM-HZPDHXFCSA-N 330.432 1.323 0 40 EDAB COC(=O)N1CCCN(C(=O)NCCc2ccccc2OC)CC1 65622970 QEUVSXRACQJFCL-UHFFFAOYSA-N 335.404 1.721 0 40 EDAB CS(=O)(=O)c1ccccc1-c1nc2cc3c(cc2c(=O)o1)OCO3 6590763 GFMZSBJMBHVPBX-UHFFFAOYSA-N 345.332 1.987 0 40 EDAB COC(=O)c1cccc(CS(=O)(=O)NCCc2ccccn2)c1 69591023 XZTGNDMOYMZNAP-UHFFFAOYSA-N 334.397 1.530 0 40 EDAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)O 4996503 TZRUSBRYPGPVPQ-TVQRCGJNSA-N 328.390 1.423 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)[C@H]2C)cc1 4999041 JTHPHXAFQICALI-LLVKDONJSA-N 327.406 1.029 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccn1 24051357 LMRZPIFWAHIFAH-SNVBAGLBSA-N 333.369 1.566 0 40 EDAB Cc1cc(NC(=O)CCN2CCC[C@H](Cc3nccn3C)C2)no1 90004054 MTCQPRYUQCFWJQ-CQSZACIVSA-N 331.420 2.000 0 40 EDAB CC[C@H](NC(=O)c1cn(C)nc1C(C)(C)C)C(=O)N1CCOCC1 92814801 ZJIDNOGRKMFUOD-ZDUSSCGKSA-N 336.436 1.085 0 40 EDAB Cn1c(=O)c2cc(NC(=O)c3cccc(F)c3)cnc2n(C)c1=O 9049949 PCPFFOAWYUVEPX-UHFFFAOYSA-N 328.303 1.024 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1nnc2ccccn12 96257574 AUPWAUAFJBZVLF-BCMYLCSRSA-N 345.428 1.926 0 40 EDAB CC(=O)Nc1ccc(C(=O)CSc2nc(O)c3nc[nH]c3n2)cc1 9408888 VIKJLBGGCLBTPL-UHFFFAOYSA-N 343.368 1.992 0 40 EDAB NC(=O)[C@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1ccccc1 71794117 YIDRUMFINQYYGE-MRXNPFEDSA-N 335.367 1.283 0 40 EDAB Cc1ccc(CC(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)cn1 71839634 NUMSGQVCTNZWJT-UHFFFAOYSA-N 343.431 1.783 0 40 EDAB Cc1nc(CN2CCC[C@H](N(C)[C@H](C(N)=O)c3ccccc3)C2)no1 71870505 ZVYLKDAALHNDEG-RDJZCZTQSA-N 343.431 1.501 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2Cn2cccn2)c1 71866179 GFCXDPPDTNQKJF-CQSZACIVSA-N 348.428 1.096 0 40 EDAB C[C@H](NC(=O)CNC[C@@H]1CCCN1c1cccnn1)c1ccco1 71859864 HCBHRZVUVZHROC-KBPBESRZSA-N 329.404 1.505 0 40 EDAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1CC(=O)N1CCc2ccccc21 9883138 RROIUYJELBOHSK-INIZCTEOSA-N 349.390 1.739 0 40 EDAB CC[C@H](O)CCNC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C 89943260 WUSIEUOGVRJCOR-XJKSGUPXSA-N 336.432 1.727 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3Cc4ccccc4O3)CCO2)n1 83829840 RUSGHDQJLWKXOO-KGLIPLIRSA-N 328.372 1.271 0 40 EDAB CN1CC(=O)N(CC(=O)N2CCCC[C@H]2Cc2ccccc2)C1=O 71924385 ATXPFPDYHOZBBH-HNNXBMFYSA-N 329.400 1.504 0 40 EDAB CN1CCN(C[C@H](O)CN(C)C(=O)Nc2cc(F)cc(F)c2)CC1 71922281 AXXTXFUGDJLATO-OAHLLOKOSA-N 342.390 1.037 0 40 EDAB CCN1CCN(CC(=O)OC2CCC(C(C)(C)C)CC2)C(=O)C1=O 89977272 MOYXNGQEVKXEKR-UHFFFAOYSA-N 338.448 1.825 0 40 EDAB C[C@@H](NCC(=O)NCCOc1ccc(F)cc1)[C@@H](C)n1cccn1 72269698 PBJCNKKFBPFDDS-ZIAGYGMSSA-N 334.395 1.757 0 40 EDAB CCN(C[C@H]1CCCO1)C(=O)NCCNC(=O)c1ccccc1F 72274243 QKQDDMRRNSIBSJ-CYBMUJFWSA-N 337.395 1.766 0 40 EDAB CN(C)[C@H]1CCCN(C(=O)NCCNC(=O)Cc2ccccc2)C1 72274289 WCFMGZUWUYEFJL-INIZCTEOSA-N 332.448 1.081 0 40 EDAB Cc1cnn(C[C@H]2CCCN2CC(=O)NC2CCN(C3CC3)CC2)c1 72253323 CZVZPHQJWWPBMR-GOSISDBHSA-N 345.491 1.399 0 40 EDAB CCNC(=O)N[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)C[C@@H]1OC 72277969 WRXVSVOYSJFQHS-YPMHNXCESA-N 341.795 1.204 0 40 EDAB COc1cncc(N2CCN([C@H]3Cc4ccccc4[C@@H]3O)CC2)n1 97034114 QPPYTUVXHVNZBK-YJBOKZPZSA-N 326.400 1.266 0 40 EDAB Cn1nncc1CN1CCN(Cc2nc(-c3cccs3)no2)CC1 97032591 QWOXHALVZACCFR-UHFFFAOYSA-N 345.432 1.244 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)C1=NN(C)C(=O)CC1 75602256 IRAJIHMVRMXKQE-NSHDSACASA-N 337.811 1.654 0 40 EDAB Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCN(C)CC1)CC2 84286945 WMEUPZYCHMPNBV-LLVKDONJSA-N 342.365 1.683 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(CCOc2ccccc2)C1 84281214 PSZDJTTWQVRTHT-MRXNPFEDSA-N 344.415 1.880 0 40 EDAB CCOc1ccccc1C(=O)N1CCN(Cc2n[nH]c(CC)n2)CC1 97163319 YBJGBLAJFYIUCX-UHFFFAOYSA-N 343.431 1.724 0 40 EDAB Cc1ccnc(NC(=O)C(=O)N2CCC[C@@H](c3nc(C)no3)C2)c1 97117594 YWQWXOJXJJYZKS-GFCCVEGCSA-N 329.360 1.426 0 40 EDAB O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cnn[nH]1 76093711 KZJIHNHOBBYYFC-UHFFFAOYSA-N 327.388 1.016 0 40 EDAB CC(=O)N1CCN([C@H]2CN(Cc3nc4ccccc4o3)C[C@H]2C)CC1 76055242 MVBCTWQVSWBZFY-PBHICJAKSA-N 342.443 1.812 0 40 EDAB Cn1ccc(NC(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 84321629 RWJAXQXJRRJOCR-HZPDHXFCSA-N 341.415 1.537 0 40 EDAB COC(=O)CC1CCN(C(=O)c2cccc(-n3nnnc3C)c2)CC1 72403786 GMGVGNGZQCWJAH-UHFFFAOYSA-N 343.387 1.386 0 40 EDAB CNC(=O)N1CCN(C(=O)c2ccccc2NC(=O)NC(C)C)CC1 76094616 YLJLXFYEUVXUCW-UHFFFAOYSA-N 347.419 1.314 0 40 EDAB Cc1ccccc1CCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1 84695322 LZBKPZGANLADOZ-ZWKOTPCHSA-N 336.501 1.779 0 40 EDAB C[C@@H]1CN(Cc2nnnn2-c2ccccc2)CCN1c1nccs1 95351825 AKYWZGNGMPNYRJ-CYBMUJFWSA-N 341.444 1.830 0 40 EDAB CC[C@H]1CN(C(=O)Cn2nc(C)c3ccccc3c2=O)C[C@@H]1N(C)C 84735540 VAGSYSWYTGXKIZ-YOEHRIQHSA-N 342.443 1.504 0 40 EDAB O=S(=O)(NCC1(CO)CC1)c1c(F)cccc1Br 95433332 YBDKJZMSHSIOAJ-UHFFFAOYSA-N 338.198 1.639 0 40 EDAB Nc1nc(N2CCN(C(=O)CCC3CCCC3)CC2)nc2[nH]ncc12 95460605 KNBOYVJWTSSOQT-UHFFFAOYSA-N 343.435 1.554 0 40 EDAB CCc1nc(C(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c[nH]1 95407361 NRRDAPBESMKJAL-YOEHRIQHSA-N 342.443 1.991 0 40 EDAB Cc1nnc(CN(C)CC(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)n1C 73729498 WGIFQQOAKXPKOZ-WMLDXEAASA-N 341.459 1.960 0 40 EDAB Cn1cc(N2CCN(C(=O)c3cccnc3N3CCCC3)CC2)cn1 74392414 UGIIUYHNUWRYIY-UHFFFAOYSA-N 340.431 1.378 0 40 EDAB Cc1cc(C)n(-c2cncc(N3CCS(=O)(=O)C(C)(C)C3)n2)n1 89595891 XZTNVWJOKKIYNK-UHFFFAOYSA-N 335.433 1.293 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 75132195 XEHKTTMGJWVIJJ-HNNXBMFYSA-N 340.431 1.683 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C(=O)c1ccc(-n2cccc2)nc1)C1CC1 75108550 DMZAIINSLJQHOZ-ZDUSSCGKSA-N 347.440 1.910 0 40 EDAB Cc1ccccc1OCCC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 89696714 LRXGPAPIHZKBSV-AWEZNQCLSA-N 340.445 1.304 0 40 EDAB CCO[C@H](C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 79256304 FKDQHFWDJJQILW-SNVBAGLBSA-N 330.381 1.729 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1 25133264 PENGGZICOTWISK-UHFFFAOYSA-N 345.399 1.949 0 40 EDAB c1cc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)c2c(c1)OCO2 548677871 OZZKJCVNEQMRKC-AWEZNQCLSA-N 337.383 2.144 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccco3)cs2)CC1 72243226 VPJBQHGYLKKKMB-UHFFFAOYSA-N 340.426 1.726 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CS[C@@H]2CCCCNC2=O)o1 78555805 UNOHEZIKQUSGTA-LLVKDONJSA-N 332.447 1.432 0 40 EDAB CCn1nc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC)c2)c1C 72239077 CYFZGQCWYPOOMR-UHFFFAOYSA-N 336.417 1.680 0 40 EDAB CC1CC(C(=O)NCc2c[nH]nc2[C@@H]2CCN(c3ncccn3)C2)C1 1039643110 VMFYXZDSOLLUNV-ROKHWSDSSA-N 340.431 1.856 0 40 EDAB CN1C[C@H](C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1=O 32294634 QWHSGLMFQYBWJG-SNVBAGLBSA-N 331.294 1.117 0 40 EDAB CCN(C[C@@H]1CCN(C(=O)[C@H](C)N)C1)C(=O)OCc1ccccc1 79412865 HKVZWUWLLAEFQS-HOCLYGCPSA-N 333.432 1.841 0 40 EDAB Cc1nccc(N2CCC[C@](C)(c3[nH]ncc3C(=O)N(C)C)C2)n1 72388736 MCPFOVPZPUJVKV-KRWDZBQOSA-N 328.420 1.768 0 40 EDAB C[C@@]1(NCc2ccc(C(=O)N3CCCC3)cc2)CCS(=O)(=O)C1 36398098 PJCMLARIBWEJQO-QGZVFWFLSA-N 336.457 1.589 0 40 EDAB CCOC[C@@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc2c(c1)OCO2 218146301 RGFUOFHQFTZYBK-HRCADAONSA-N 341.429 1.297 0 40 EDAB Cc1nnc(NC(=O)CSc2nnc3nc(O)cc(C)n23)s1 35510870 WDRFRMAIYRKZSQ-UHFFFAOYSA-N 337.390 1.029 0 40 EDAB O=C(OCCCn1nc2ccccn2c1=O)c1cccc2cn[nH]c12 77877678 NSOHVCVWCCQZIN-UHFFFAOYSA-N 337.339 1.619 0 40 EDAB Cc1ncc2c(n1)CC[C@@H](NS(=O)(=O)c1ccccc1C(=O)O)C2 564923043 JRYALBJBUBUWNH-GFCCVEGCSA-N 347.396 1.319 0 40 EDAB C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)CCCc2ccccc21 33249656 PCUSHLQHFMGMMQ-OAHLLOKOSA-N 345.443 1.193 0 40 EDAB NC[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1 44556246 LRRBJBSSFSXISO-LLVKDONJSA-N 333.251 1.951 0 40 EDAB CCc1cnc(CNS(=O)(=O)c2cnc(C)c(C(=O)O)c2)s1 563066922 BRLFBTNOFPEEKC-UHFFFAOYSA-N 341.414 1.586 0 40 EDAB CC(C)c1nccn1CCC(=O)N1CCCN(c2ncccn2)CC1 73352460 YSQHKJCDGSWOKU-UHFFFAOYSA-N 342.447 1.926 0 40 EDAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 130426694 NXRYLHIDWULZRT-CVEARBPZSA-N 344.411 1.589 0 40 EDAB Cc1cccc(N(C)S(=O)(=O)CCCS(=O)(=O)N(C)C)c1 184052474 WJAPBNQCTTXPNK-UHFFFAOYSA-N 334.463 1.043 0 40 EDAB Cc1noc(C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 40714660 MLMHTHCFUSKUAH-OAHLLOKOSA-N 329.356 1.924 0 40 EDAB CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 567739797 BNDVHLUQCHIYMB-BBWFWOEESA-N 329.444 1.444 0 40 EDAB C[C@]1(CNC(=O)N2CC(=O)N(C3CC3)C2)COc2ccccc2O1 528109409 JMOUYOHMXHMYJE-KRWDZBQOSA-N 331.372 1.190 0 40 EDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)nn(CC(C)C)c1C 49548477 CCSPHOQAFJLLMU-HNNXBMFYSA-N 349.479 1.695 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 224307106 HPFJNVVAUARLSV-UHFFFAOYSA-N 325.416 1.813 0 40 EDAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N(C)C)s2)c1 224079955 TYTFAMJUUCGIHV-UHFFFAOYSA-N 326.403 1.349 0 40 EDAB CCNC(=S)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225208628 WUKHAEXTLNEFKW-UHFFFAOYSA-N 343.474 1.786 0 40 EDAB COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CNc1c(C)cccc1C 81422263 XCOIVODBBVQXJG-CQSZACIVSA-N 330.388 1.339 0 40 EDAB CSc1ccccc1C(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 75163122 KQMHUHOWGKVLDV-UHFFFAOYSA-N 341.396 1.940 0 40 EDAB Cc1cn2nnc(C(=O)NCc3ccc(F)cc3Cl)c2c(O)n1 85555718 KIQPDJJRMDQGAA-UHFFFAOYSA-N 335.726 1.861 0 40 EDAB COc1ccc(C(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)c(F)c1 573568179 PVDHDAGLQDNLJR-JTQLQIEISA-N 348.334 1.601 0 40 EDAB O=S(=O)(Cc1ccccc1)NCc1nccc(N2CCCC2)n1 224156688 FXNJDSAWUVMWIP-UHFFFAOYSA-N 332.429 1.696 0 40 EDAB CCc1nc(C2CCN(C(=O)c3cnc4c(c3)nnn4C)CC2)n[nH]1 191563350 NDFXTEYDDIAZCU-UHFFFAOYSA-N 340.391 1.064 0 40 EDAB C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 195555746 KLROGDDOQRJUEU-RRQGHBQHSA-N 344.455 1.914 0 40 EDAB c1cnn(C[C@H]2CC[C@]3(COCCN(Cc4ccncc4)C3)O2)c1 96052388 GAVPJAWJWCZCDH-MSOLQXFVSA-N 328.416 1.728 0 40 EDAB COc1cc(N2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)ncn1 96065878 BZZFSVIEKSPWHK-RLFYNMQTSA-N 342.399 1.833 0 40 EDAB O=C(NCCO)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1 96038387 XBRUSKQNKZHBPU-UHFFFAOYSA-N 342.443 1.193 0 40 EDAB Cn1nc(-c2cccnc2)c2c1CN(S(=O)(=O)C1CC1)CCC2 96083747 IPDGVPKMZWIXQI-UHFFFAOYSA-N 332.429 1.723 0 40 EDAB CN(C)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2nccn2C1 96188203 MDJBIOLULNOYMY-OAHLLOKOSA-N 328.416 1.805 0 40 EDAB CC(C)(CCN1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C1=O)S(C)(=O)=O 578851787 UOSWTSQWZYAKLZ-AVGNSLFASA-N 342.461 1.795 0 40 EDAB Cn1cc(CN2CCOC[C@@H]2c2nccc(NCC3CC3)n2)cn1 96218757 XIGSPDXGJFJRRV-OAHLLOKOSA-N 328.420 1.606 0 40 EDAB Cn1cccc1C(=O)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96219334 QKPBKBHGDGCLSB-LXZKKBNFSA-N 327.384 1.871 0 40 EDAB c1ccc(CN2CCC[C@]3(C[C@H](CN4CCOCC4)CO3)C2)nc1 96075547 BPLOUSSOLLXXLJ-MJGOQNOKSA-N 331.460 1.785 0 40 EDAB COCCN1CC[C@]2(COCCN(C(=O)Cc3ccccc3)C2)C1 96201998 VCHGHNRUGASXKE-IBGZPJMESA-N 332.444 1.426 0 40 EDAB CC(=O)Nc1cc(S(=O)(=O)N2CCCC[C@@H]2C(C)=O)ccc1F 583651912 VFWAHTLABVYWHK-OAHLLOKOSA-N 342.392 1.916 0 40 EDAB Cc1ncoc1C(=O)N1CC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 96107811 LMRKGWBXVFOAGH-QAPCUYQASA-N 343.383 1.968 0 40 EDAB CCn1cnnc1[C@@H]1CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)CCO1 583614993 KJDWCCPTPYYNRE-JYJNAYRXSA-N 341.415 1.937 0 40 EDAB O=C(NCc1ccccn1)[C@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21 96040769 DVQJKCYZKBTWIX-OLMNPRSZSA-N 341.411 1.685 0 40 EDAB CCc1ccc(S(=O)(=O)N2Cc3cn(C)nc3[C@@H](COC)C2)cc1 96100569 LOGHQZOREFDVNT-OAHLLOKOSA-N 349.456 1.917 0 40 EDAB Cc1cc(NC(=O)CN2CCC([C@@H](O)c3nccn3C)CC2)on1 96483836 HXFHCKKEUXRIEV-OAHLLOKOSA-N 333.392 1.101 0 40 EDAB NC(=O)c1cc(O[C@H]2CCN(C(=O)/C=C/c3ccco3)C2)ccn1 240122704 WHNAJPHGBGSXLO-AWEZNQCLSA-N 327.340 1.467 0 40 EDAB O=C(c1ccncn1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 247863353 NPRVPSCOVGXMCG-CYBMUJFWSA-N 326.356 1.182 0 40 EDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)S(=O)(=O)C2CC2)cs1 252504805 VLWLTIUYIJPVKF-AAEUAGOBSA-N 347.481 1.788 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC(Nc2ncccn2)C1 253470869 ADGGEUCKIJCSNR-UHFFFAOYSA-N 334.401 1.279 0 40 EDAB O=C(Nn1ccnn1)C1CCN(C(=O)OCc2ccccc2)CC1 585087652 CGEMTQKSTSBZEU-UHFFFAOYSA-N 329.360 1.397 0 40 EDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)Cc1ccc(Cl)cc1 257274255 NKFHLZWEYHOHNF-QGZVFWFLSA-N 344.802 1.676 0 40 EDAB CC(=O)N1CCO[C@@](C)(C(=O)NCc2c(F)cccc2Cl)C1 257223757 DYRPJGHKVDDUGO-OAHLLOKOSA-N 328.771 1.733 0 40 EDAB C=C=CCNC(=O)c1cnc(C2=NC(=O)[C@](C)(C(C)C)N2)c(O)c1 585121526 RQWISOZPOIXHSB-KRWDZBQOSA-N 328.372 1.149 0 40 EDAB CCOC(=O)c1cn(CCN(C)c2ccccc2)c2ccnn2c1=O 585123111 VVBZOHFGJJVCFM-UHFFFAOYSA-N 340.383 1.809 0 40 EDAB Cc1cccc(N2CCC[C@@H](NC(=O)CCc3ccnn3C)C2)n1 257271206 MXHUXPHCDHPQIN-OAHLLOKOSA-N 327.432 1.841 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257225926 FILALNBQEWHWBM-JFIYKMOQSA-N 334.464 1.453 0 40 EDAB Cc1cc(OCC(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)c2ccccc2n1 257238279 HKHCEACZMRFEJK-IIDMSEBBSA-N 330.384 1.313 0 40 EDAB Cc1ccc(N2CC3(C[C@H](Oc4nccc(C)n4)CCO3)C2)nn1 253478697 MOJJTYDRTPUTOB-CQSZACIVSA-N 327.388 1.700 0 40 EDAB Cc1cc(O)nc([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 257311126 UICHPLYPHAECFT-OAHLLOKOSA-N 339.399 1.951 0 40 EDAB Cc1ccnc([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1 257207492 BHZWSFALGMUDOZ-HNNXBMFYSA-N 329.404 1.278 0 40 EDAB C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 253369818 IKKRSSPJORZFHD-BARDWOONSA-N 347.463 1.293 0 40 EDAB COc1ccc(NC(=O)Nc2cc[nH]n2)cc1-n1nnnc1C1CC1 277074222 LPZGLCKFLUVJPD-UHFFFAOYSA-N 340.347 1.915 0 40 EDAB COc1cc(C)ccc1OCC(=O)Nc1cc(-n2cccn2)ncn1 90614145 YRTNOCZWAZJIKT-UHFFFAOYSA-N 339.355 1.997 0 40 EDAB CN(C)c1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2F)cc1 90611846 LBUPPNNAZMRCKT-HNNXBMFYSA-N 338.404 1.904 0 40 EDAB O=C1NC[C@@H](C(=O)NCCc2ccc(F)c(Br)c2)O1 1615556551 SCDJQECYOWBREV-JTQLQIEISA-N 331.141 1.355 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H]1C(=N)NOCc1ncnn1CCF 1615587186 CAUBQOSXFZKFGH-JTQLQIEISA-N 342.375 1.255 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CCCN(c3ncccn3)C2)CC1 96158558 IOARFWKQQYXGTQ-OAHLLOKOSA-N 330.432 1.722 0 40 EDAB Cc1cccc(OCC(=O)N2CC[C@H](Oc3ncc(F)cn3)C2)c1 390829078 WMVZEZSWLISPQJ-HNNXBMFYSA-N 331.347 1.983 0 40 EDAB COc1nc(CNC(=O)COc2ccccc2)nc(N2CCCC2)n1 575603738 JJMDNAFNTPGBOG-UHFFFAOYSA-N 343.387 1.176 0 40 EDAB O=C(c1cc[nH]n1)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 575403662 JPAYVWJFUBMZDW-SNVBAGLBSA-N 334.376 1.723 0 40 EDAB CNc1cccc(C(=O)N2CC[C@](O)(COc3ccccc3)C2)n1 585276660 OQMZPEAZEHVRDO-GOSISDBHSA-N 327.384 1.779 0 40 EDAB O=C(c1ccco1)N1CCO[C@@H]2CN(C(=O)C3CC(F)C3)C[C@@H]2C1 585107967 NUNYYNDOZBLEMD-PQNSMMMDSA-N 336.363 1.327 0 40 EDAB O=S(=O)(CCc1ccccc1)N[C@H]1CCN(c2ccccn2)C1 159311761 ZOZOUVCRCVNGDQ-INIZCTEOSA-N 331.441 1.822 0 40 EDAB C[C@H]1CCc2sc(C(=O)NCC3(C(N)=O)CCOCC3)cc2C1 47931288 MQZCUESDCXKRHY-NSHDSACASA-N 336.457 1.885 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1CN1CCCC1 52399938 RVMBFUBBJAANAM-SFHVURJKSA-N 329.444 1.910 0 40 EDAB CC[C@@H](CO)Nc1nc(N[C@H](CC)CO)ncc1Br 584907825 ADLZDMPFIMXMGR-DTWKUNHWSA-N 333.230 1.605 0 40 EDAB COc1ncc(C(=O)N[C@H]2CCCN(C)[C@H]2Cc2ccccc2)cn1 1615086942 LAZHXCTVDDQEOI-IRXDYDNUSA-N 340.427 1.921 0 40 EDAB COC(=O)[C@@H](O)CCNc1nc2cc(Br)ccc2o1 1615615814 WTXRVGJYZQHNPW-VIFPVBQESA-N 329.150 1.926 0 40 EDAB O=C(CN(Cc1ccccc1)Cc1ccccc1)N[C@H](CO)C(=O)O 1601301483 QYRLNMJOJWCKQM-QGZVFWFLSA-N 342.395 1.251 0 40 EDAB CCOC(=O)C(CCC(=O)OC)(CCC(=O)OC)C(=O)OCC 5179598 NQXPUCNKHCSPRK-UHFFFAOYSA-N 332.349 1.005 0 40 EDAB O=C1C[C@]2(CC[C@@H]3[C@@H](C(=O)N4CCOCC4)[C@@H]32)Oc2ccccc21 12087263 YFOIXAIPVSGPGZ-QUIPCFFLSA-N 327.380 1.905 0 40 EDAB CN(C)C(=O)CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 12325387 RDMVLARLNVMNRQ-UHFFFAOYSA-N 337.807 1.973 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C 12695114 MRGVPWCOGWPPDF-PWSUYJOCSA-N 325.434 1.143 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCc1cc(N2CCOCC2)nc(NC2CC2)n1 19495876 QBSNBZHUYZBAHB-WFASDCNBSA-N 345.447 1.202 0 40 EDAB CC1CCN(CC(=O)N2CCO[C@H](C(=O)Nc3ccccc3)C2)CC1 19747642 QHAXPAJSIALLLK-KRWDZBQOSA-N 345.443 1.584 0 40 EDAB Cc1ccc(O[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)nn1 225429553 ABWIAGOPLOJIAA-GFCCVEGCSA-N 329.360 1.058 0 40 EDAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)NC[C@@H]1CCCO1 238895181 QZADXVPPRWPRRG-JTQLQIEISA-N 333.348 1.580 0 40 EDAB CC(C)C(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23232479 VHDYXPQTUPQGAW-UHFFFAOYSA-N 332.383 1.102 0 40 EDAB Cn1cc([C@H](NC(=O)c2cnn3c2[C@H](CN)CCC3)C(C)(C)C)cn1 592541669 HHVPLBSSQBLLBQ-LRDDRELGSA-N 344.463 1.970 0 40 EDAB Cn1ncc2c(NC3CN(c4ncnc5ccsc45)C3)ncnc21 1888900914 WAMMOZNGCWRHKI-UHFFFAOYSA-N 338.400 1.669 0 40 EDAB O=C([C@@H]1CN(c2cnc3ccccc3n2)CCO1)N1CCSCC1 1888916382 JGQWDPPGQMBABJ-HNNXBMFYSA-N 344.440 1.410 0 40 EDAB COc1cnc(OC2CCN(C(=O)NC[C@H]3CCCO3)CC2)nc1 1889136330 QNUXOZIRMWXCDR-CYBMUJFWSA-N 336.392 1.217 0 40 EDAB COc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)N1CCOCC1 21965904 HDWZXXDHGLUYPI-UHFFFAOYSA-N 335.765 1.068 0 40 EDAB CN1C[C@@H](CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)CC1=O 1776008416 DKHXYSTXIOKBTG-JTQLQIEISA-N 329.322 1.642 0 40 EDAB O=c1[nH]c(CN2CCC3(CC2)OCCO3)nc2ccc(Cl)cc12 32825293 ROGOBYXEWDYDKG-UHFFFAOYSA-N 335.791 1.915 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 4941475 QETNJRMGIIBXIC-ZDUSSCGKSA-N 348.399 1.744 0 40 EDAB O=C(NCCCN1CCCCC1)N[C@@H]1CC(=O)N(c2ccccc2)C1 5123247 RNUUTBMKGOMVDF-MRXNPFEDSA-N 344.459 1.967 0 40 EDAB COC(=O)C1=C(C)OC(=O)[C@]1(NC(=O)c1ccccc1)C(F)(F)F 6667749 AJVMRBOZSCMHNR-AWEZNQCLSA-N 343.257 1.721 0 40 EDAB CN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)C3CC3)CC[C@@H]12 2055795763 SOMHDNLQGRLWKB-VQIMIIECSA-N 342.443 1.743 0 40 EDAB Cc1nnc(NC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)s1 22768889 NCBMHUFPPUXQOS-QMMMGPOBSA-N 349.441 1.568 0 40 EDAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)C(=O)Nc1ccon1 1775966644 RGBZZYBJDGLOSW-SECBINFHSA-N 347.352 1.784 0 40 EDAB Cn1nc(C(=O)N2CC(c3nc(-c4cccs4)no3)C2)ccc1=O 49483951 AKZAVCFYXCYMEC-UHFFFAOYSA-N 343.368 1.131 0 40 EDAB O=C(N[C@H]1CCCN(Cc2noc(C3CCOCC3)n2)C1)C1CC1 1006517456 YRXYTQWQCYYGOE-AWEZNQCLSA-N 334.420 1.454 0 40 EDAB C[C@@H](Oc1ccccc1F)C(=O)NCc1cn(-c2cccnc2)nn1 575414317 AWQTWGAUIVYWEX-GFCCVEGCSA-N 341.346 1.885 0 40 EDAB O=C(Cn1nnc2ccccc21)NCc1nccnc1-c1ccoc1 575619499 FZQUSZMLLCGCRU-UHFFFAOYSA-N 334.339 1.798 0 40 EDAB Cc1nn(CCNS(=O)(=O)N2CCCC2)c(C)c1-c1ccco1 575616111 WSBBMITWLRCNIT-UHFFFAOYSA-N 338.433 1.690 0 40 EDAB Cc1ccccc1NC(=O)Cc1nc(CNCCOCCO)cs1 40162349 MKMGYCUERLIHJY-UHFFFAOYSA-N 349.456 1.731 0 40 EDAB COc1ccc([C@H](CNC(=O)N2CCC2)N2CCOCC2)cc1OC 40477699 PLCLHZPACMUPJM-HNNXBMFYSA-N 349.431 1.492 0 40 EDAB CCCn1nnnc1CN1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 40474042 JHNVSFUBIZJDHZ-LBPRGKRZSA-N 333.392 1.150 0 40 EDAB CN(C(=O)c1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 31611760 RTKSFDNWSORRTM-CYBMUJFWSA-N 337.376 1.271 0 40 EDAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N[C@@H]1CCCCNC1=O 40521619 QEHMALZMVMXSMT-CYBMUJFWSA-N 346.362 1.593 0 40 EDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)n(C)n1 40512233 IQENDEIQKBVWRK-HNNXBMFYSA-N 326.400 1.758 0 40 EDAB Cc1ccc(CN(C)C(=O)c2c(C)oc(C)c2S(N)(=O)=O)o1 40527829 HOFNMKAODBUEAX-UHFFFAOYSA-N 326.374 1.717 0 40 EDAB O=C(NCc1nnc2ccccn12)C1CCN(CC(F)(F)F)CC1 40536429 MGZJNPWRFYFAQY-UHFFFAOYSA-N 341.337 1.620 0 40 EDAB C[C@@H]1CN(C(=O)NCc2ccnc(N3CCOCC3)c2)C[C@@H](C)O1 40511858 OALSLKJFAOVJAA-ZIAGYGMSSA-N 334.420 1.237 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)n1 51375553 YADQIUSKPFMJBD-LSDHHAIUSA-N 339.399 1.333 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)NCCN2CCCC[C@@H]2C)CC1 262546 HBHSCOKLORZUMF-AWEZNQCLSA-N 345.509 1.039 0 40 EDAB Cn1cc(C[C@H]2CCN(S(=O)(=O)c3cccc4nonc34)C2)cn1 89755598 HMEUQPYDGBCRNW-LLVKDONJSA-N 347.400 1.210 0 40 EDAB CCOC(=O)C1=C(C)N(N)C(=S)N[C@H]1c1ccc2c(c1)OCO2 6891645 WRWIFTPUEPMTAG-ZDUSSCGKSA-N 335.385 1.357 0 40 EDAB Cc1cc(NC(=O)CN2CCC(C(=O)N(C)C)CC2)n(C(C)(C)C)n1 51650889 PHIBGWAXTYPUGB-UHFFFAOYSA-N 349.479 1.685 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC(C(=O)O)CC1)C(=O)C2 101906714 LGAYWKOKJKAXDV-BLLLJJGKSA-N 343.445 1.508 0 40 EDAB COc1ccc(CNC(=O)CCCNC(=O)c2ccsc2)cn1 32873814 HRKBUXHXGHFEKE-UHFFFAOYSA-N 333.413 1.978 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 32902393 LKEJAFDKXKVNIT-KRWDZBQOSA-N 348.424 1.886 0 40 EDAB CCOc1ccc(-n2nc(CO)c(C(=O)NC[C@@H]3CCCO3)n2)cc1 21783380 QJDZHFUFGHKXHN-AWEZNQCLSA-N 346.387 1.067 0 40 EDAB Cc1cccc(N2CCN([C@@H]3CC(=O)N(C4CC4)C3=O)CC2)c1C 102616027 ZJDSRTSWQZRRAE-QGZVFWFLSA-N 327.428 1.715 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NCCn2cccn2)[C@H]1c1ccccc1F 57354937 PYRNHARXWHKXJP-WMLDXEAASA-N 344.390 1.748 0 40 EDAB CCN(CC)CCN[C@@H]1CCN(Cc2ccc(OC)cc2)C[C@H]1O 57742182 QEBSOUHSFIQVPG-RTBURBONSA-N 335.492 1.562 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCN(c2cnccn2)CC1 46829844 KJNIMTBODGVUAD-JKSUJKDBSA-N 347.463 1.904 0 40 EDAB CN1N=C(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCC1=O 41952641 ARGAMNJADZCAOI-CYBMUJFWSA-N 334.445 1.609 0 40 EDAB CCc1cccc(N2C[C@H](C(=O)NCc3nncn3CC)CC2=O)c1 47021575 FEOZNJDLYUXQLI-CQSZACIVSA-N 341.415 1.530 0 40 EDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(c2nccs2)CC1 23008863 WWIZFOJURNPWCY-UHFFFAOYSA-N 341.400 1.081 0 40 EDAB O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 23102766 PDHFLECGJAOXCC-UHFFFAOYSA-N 331.416 1.630 0 40 EDAB Cn1cc(CCNC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)cn1 42716841 AILFFZVPJNMAJN-RMKNXTFCSA-N 338.411 1.919 0 40 EDAB CCc1ccc(S(=O)(=O)NCCN2CCCCCC2=O)s1 55240062 ASYSKXKSYXHSST-UHFFFAOYSA-N 330.475 1.991 0 40 EDAB Cc1c([C@@H](C)NC(=O)c2cnn(-c3ccc(O)nn3)c2C)cnn1C 25003244 CRMVHSGECSBGPS-SECBINFHSA-N 341.375 1.209 0 40 EDAB Cn1nccc1CN1CC[C@@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 108526682 RNBNYZPPGKLRKL-GJZGRUSLSA-N 330.388 1.129 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCO[C@H]4CCC[C@@H]43)cnc12 56194010 UYAPHZSERKUFEX-GJZGRUSLSA-N 327.384 1.485 0 40 EDAB CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccc(-n2cccn2)cc1 56871657 SYQJQFXNMZMHIE-CQSZACIVSA-N 343.431 1.976 0 40 EDAB Cc1cnc(CN2CCC[C@@H]([C@]3(C)NC(=O)N(C(C)C)C3=O)C2)cn1 107505674 MKZVPOPAHNQQEN-KDOFPFPSSA-N 345.447 1.716 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCC(=O)N1CCCc2ccccc21 57270913 ANDUCRCPUMZYAH-UHFFFAOYSA-N 340.427 1.675 0 40 EDAB O=C(Cn1nc2ccccn2c1=O)Nc1cccnc1N1CCCC1 44542335 VFLRBUDCDLQPFW-UHFFFAOYSA-N 338.371 1.130 0 40 EDAB Cn1cncc1CN1CC[C@@H]2OCCN(CCN3CCCC3)[C@H]2CC1 306128452 HARWFUYIDBABLF-OALUTQOASA-N 347.507 1.181 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cnn(C)c3)n2)C1 44817741 RPVLUGXRHGQUAG-LLVKDONJSA-N 348.428 1.959 0 40 EDAB CCS(=O)(=O)N[C@@H](CN(C)C1CCN(C)CC1)c1ccccc1 58283507 JKTASLMQEIWYAX-KRWDZBQOSA-N 339.505 1.693 0 40 EDAB Cc1cc2n(n1)C[C@H](CNC1CCN(Cc3ccncc3)CC1)CN2 58296088 KCCYQMSYPCNNFF-QGZVFWFLSA-N 340.475 1.882 0 40 EDAB COc1ccc2c(C)c(CCC(=O)NCCC(=O)O)c(=O)oc2c1 2103800 MKRPZTCLKSRKFT-UHFFFAOYSA-N 333.340 1.634 0 40 EDAB biogenic O=C(NCCOc1cccc(F)c1)c1ccc(N2CCOCC2)nc1 27717488 LAFLQCOTKGGZCF-UHFFFAOYSA-N 345.374 1.866 0 40 EDAB O=C(CN1CCN(c2ccc3nncn3n2)CC1)c1cccs1 44978803 CIWUYPSRYTUMBN-UHFFFAOYSA-N 328.401 1.191 0 40 EDAB CNC(=O)COc1ccc(CNc2ncc(C(N)=O)cc2Cl)cc1 44978861 WRPXBNUJZWYEKC-UHFFFAOYSA-N 348.790 1.571 0 40 EDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N[C@@H]1CCN2CCCC[C@H]12 44941952 DCROPQAJJPNSHZ-CHWSQXEVSA-N 343.349 1.610 0 40 EDAB CCN(CC)C(=O)c1sccc1S(=O)(=O)N1CCSCC1 58341109 XLZANQJYZNTHOR-UHFFFAOYSA-N 348.515 1.968 0 40 EDAB Cc1nnc2n1CCN(CCC(=O)NCc1ccccc1Cl)C2 69655284 SHQMSOWECZOYPA-UHFFFAOYSA-N 333.823 1.762 0 40 EDAB CCN(C(=O)Cn1nnn(-c2cccs2)c1=O)c1ccccc1C 10817063 DPUMPYTZJYMIAH-UHFFFAOYSA-N 343.412 1.852 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCOCC2)cc1C 12735067 PYJWVQFFFHDYLP-QGZVFWFLSA-N 340.489 1.939 0 40 EDAB NC(=O)COc1cccc(CN2CCCC[C@H]2Cn2cccn2)c1 69632360 CNQNLGFCYPHWBR-INIZCTEOSA-N 328.416 1.802 0 40 EDAB CCN1CCO[C@@H](CNc2cc(C)nc3nc(C(F)(F)F)nn23)C1 69663378 FJNSMLQKUBTUFA-JTQLQIEISA-N 344.341 1.584 0 40 EDAB C[C@H](NC(=O)N[C@H](C)c1ccccn1)c1ccc(S(N)(=O)=O)cc1 48363101 WDGZDHHWUKNVPJ-NWDGAFQWSA-N 348.428 1.850 0 40 EDAB CN1CCN(c2ccc(CNC(=O)CC[C@H]3CCCO3)cn2)CC1 48343328 NVIMWYVGCOFOIV-MRXNPFEDSA-N 332.448 1.409 0 40 EDAB COc1ccc([C@@H](NC(=O)CN2CCN(C(C)=O)CC2)C(C)C)cc1 12860022 QMXIEJTZPYDHDF-IBGZPJMESA-N 347.459 1.673 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cccc(S(C)(=O)=O)c2)c1 70019677 AWIDQHYPEGSCMZ-OAHLLOKOSA-N 347.440 1.900 0 40 EDAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)N1CCc2ccccc2C1 81813550 JONYHOQSOGXXJR-GUYCJALGSA-N 339.443 1.984 0 40 EDAB O=C(COc1cccc(C(=O)O)c1)NC[C@H]1COc2ccccc2O1 13035461 LVWXNBRKKKCZOG-AWEZNQCLSA-N 343.335 1.720 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@@H]3CCCN3C2=O)c1C 8329111 YIUPEOJYJDPDLG-JTQLQIEISA-N 333.344 1.027 0 40 EDAB Cc1cc(C(=O)COC(=O)C(C)C)c(C)n1[C@H]1CCS(=O)(=O)C1 22018538 QLNXJYOFCKERGE-ZDUSSCGKSA-N 341.429 1.846 0 40 EDAB CN(C)C(=O)CN1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 69413960 HEDMALFRMGDATO-HOTGVXAUSA-N 349.862 1.676 0 40 EDAB CC1CCN(C(=O)Cn2cc(C(N)=O)c(-c3ccccc3)n2)CC1 65565169 CCYAYIDRDMFTHB-UHFFFAOYSA-N 326.400 1.908 0 40 EDAB CNC(=O)c1cccc(CNC(=O)[C@H](OC[C@@H]2CCCO2)C(C)C)c1 65539284 CKILBBMXSXRGPF-DLBZAZTESA-N 348.443 1.883 0 40 EDAB O=S(=O)(NCCNCc1cccnc1)c1cccc(Cl)c1 65978241 RUWVONFSNYBDNQ-UHFFFAOYSA-N 325.821 1.803 0 40 EDAB CC(C)[C@H](C)NC(=O)CN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 69737104 FDDAMYORYPAENF-STQMWFEESA-N 341.477 1.488 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 69770717 RWNVQDVACMOAFC-HNNXBMFYSA-N 336.480 1.803 0 40 EDAB C=COCCCNS(=O)(=O)c1ccc2c(c1)O[C@@H](C)C(=O)N2 20569248 AWOLZPYGVOBNRM-JTQLQIEISA-N 326.374 1.235 0 40 EDAB O[C@@H](COCc1ccccc1F)CN1CCCC[C@@H]1Cn1cncn1 69741454 XYUNYZDWOLKFBI-IAGOWNOFSA-N 348.422 1.849 0 40 EDAB C[C@@H](NC(=O)Nc1ccccc1S(C)(=O)=O)C(=O)NC(C)(C)C 69737416 BLLHQNXVKKFXKP-SNVBAGLBSA-N 341.433 1.515 0 40 EDAB CCCCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC 4704326 KQYHWOSTORULJN-HNNXBMFYSA-N 334.416 1.583 0 40 EDAB COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-n2cnnn2)c(C)c1 66286758 ZRHLNEBIWFAXKI-CYBMUJFWSA-N 330.348 1.140 0 40 EDAB Cc1cc(C(F)(F)F)nn1CC(=O)N1N=CC[C@@]1(O)C(F)(F)F 6787359 KZNURKCHHVPYRE-SECBINFHSA-N 344.215 1.679 0 40 EDAB c1ccc2nc(N3CCN(c4ccc5nncn5n4)CC3)cnc2c1 69846151 IZCZOBKSPHDDHK-UHFFFAOYSA-N 332.371 1.394 0 40 EDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 8889269 JVUNVJYPDYIPPN-KRWDZBQOSA-N 334.372 1.804 0 40 EDAB CN1CCN(CCCN(C)S(=O)(=O)c2c(F)cccc2F)CC1 69947866 ABALSPYNDPNYGW-UHFFFAOYSA-N 347.431 1.223 0 40 EDAB CS(=O)(=O)c1ccccc1NC(=O)COc1ccccc1C(N)=O 15551551 WEXIGBWTMUESTK-UHFFFAOYSA-N 348.380 1.207 0 40 EDAB Cc1cc(NC(=O)CN2CCCC[C@@H]2C(N)=O)ccc1N1CCCC1 8710996 YTNMFVKZWKTTTB-QGZVFWFLSA-N 344.459 1.874 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2Cl)CC1 7848754 BWYBQQPYFQKRQM-LBPRGKRZSA-N 342.848 1.423 0 40 EDAB C[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)cc1 8993898 LBRRFCTXOOEWKQ-LLVKDONJSA-N 341.342 1.706 0 40 EDAB COc1cc(C(=O)N2CCN(CCO)CC2)cc(Cl)c1OC 75572140 PBRDAMOBMYCRHS-UHFFFAOYSA-N 328.796 1.107 0 40 EDAB Cc1nsc(N2CCN(CC(=O)N[C@H]3CCCC[C@H]3C)CC2)n1 96444984 FKUMHAHCHVJQGQ-OCCSQVGLSA-N 337.493 1.663 0 40 EDAB C[C@H]1CN(CCC(=O)N2CCc3ccccc32)CCN1C[C@@H](C)O 71877516 UNEBTBSYXFNRHT-JKSUJKDBSA-N 331.460 1.353 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3c(O)nnc(C)c3C)CC2)cs1 71810489 CXVIYMWRVNPMHW-UHFFFAOYSA-N 347.444 1.522 0 40 EDAB CNC(=O)c1ccc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)o1 71897086 IZGGWWUFQMGXOP-SNVBAGLBSA-N 333.310 1.234 0 40 EDAB C[C@@]1(C(=O)N2CCC[C@H](n3cncn3)C2)Cc2ccccc2C(=O)O1 72234802 PWSPOQPLUBODLC-KSSFIOAISA-N 340.383 1.613 0 40 EDAB Cc1ccc([C@@](O)(CC(=O)OCC(=O)NC(C)C)C(F)(F)F)o1 71920038 MXDJHNLVFUAALP-ZDUSSCGKSA-N 337.294 1.796 0 40 EDAB C[C@@H](C(=O)OCc1nc(N)nc(N(C)C)n1)N(C)Cc1ccccc1 72290050 MVJTWUUUHCQIGY-LBPRGKRZSA-N 344.419 1.084 0 40 EDAB Cc1ccc(NC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)cc1C 75584514 LGNVIHSDANWLDT-UHFFFAOYSA-N 343.427 1.855 0 40 EDAB CC[C@@H](CO)N1CCN(Cc2cn(C)nc2-c2ccccc2)CC1 97033978 DOHVKOOSNNWWDE-SFHVURJKSA-N 328.460 1.976 0 40 EDAB C[C@H](CCNS(=O)(=O)c1c(F)cccc1Cl)[S@](C)=O 97147149 IQZASOPKRZYFND-NTCNTBNZSA-N 327.830 1.915 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nnc(C(C)C)o1 97379315 MALOKLCJSDJLLV-UHFFFAOYSA-N 327.410 1.852 0 40 EDAB Cn1cc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)cn1 76041399 MPOCCUJBNGYCJV-LJQANCHMSA-N 340.427 1.979 0 40 EDAB C[C@](O)(CN1CCO[C@H](CNc2cccnn2)C1)c1ccccc1 84638272 FBEKWWQNHPYBMC-AEFFLSMTSA-N 328.416 1.497 0 40 EDAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[C@@H]1c1ccccc1 95347320 PKGZOTYCOSRBMA-HUUCEWRRSA-N 338.429 1.706 0 40 EDAB C[C@H](Cc1cccc(Cl)c1)NC(=O)Cn1ncn2nccc2c1=O 95395576 UGPSQPIIHMOBJG-LLVKDONJSA-N 345.790 1.292 0 40 EDAB COc1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)nn1 78054012 JSDOTNCPXUWFSE-UHFFFAOYSA-N 330.388 1.815 0 40 EDAB O=C1C[C@H](Cc2ccc(C(=O)N=c3[nH]c4ccccc4[nH]3)cc2)C(=O)N1 78028831 BDVFLSKBQMCRCK-ZDUSSCGKSA-N 348.362 1.442 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c[nH]1 95446798 DIKRFPCRKAOBMW-MRXNPFEDSA-N 339.395 1.604 0 40 EDAB CSc1cccc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCC3)c1 95461163 APECCRVPVGSARE-JTQLQIEISA-N 345.428 1.762 0 40 EDAB Cn1c(CCC(N)=O)nnc1SCc1ccn(C2CCCC2)n1 95418351 DPVZSNGNCSODGD-UHFFFAOYSA-N 334.449 1.837 0 40 EDAB O=C(NCC1(O)CCOCC1)c1cnn(-c2ccc(F)cc2F)c1 95441289 AIMJNNULBOZTKM-UHFFFAOYSA-N 337.326 1.422 0 40 EDAB C[C@@H]1C[C@H](NC(=O)c2cc(S(C)(=O)=O)ccc2F)CN1C1CC1 95439783 DKOLGDLEXMLBCX-MNOVXSKESA-N 340.420 1.584 0 40 EDAB C[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H](N)c3ccccc3)ccc2O1 95432052 SNFRFUZZQPSKED-MLGOLLRUSA-N 332.425 1.988 0 40 EDAB CN1C(=O)C[C@@H](C(=O)Nc2ccncc2)[C@@H]1c1ccc2c(c1)OCO2 95475968 DYBCSRUHJOXVRV-DYVFJYSZSA-N 339.351 1.968 0 40 EDAB COc1ccsc1S(=O)(=O)N[C@@H](C)Cn1nc(C)cc1C 95415225 OJEXBOFJPXOKAR-JTQLQIEISA-N 329.447 1.937 0 40 EDAB CCCn1ncc(C(=O)OCC)c1NC(=O)N[C@H](C)Cn1cncn1 95460731 JKVYUHATJOLAMG-LLVKDONJSA-N 349.395 1.272 0 40 EDAB Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N[C@@H]1CCN(C)C1=O 78868888 UMCDOLUVEFNNTP-OAHLLOKOSA-N 345.378 1.350 0 40 EDAB O=C(C[C@@H]1OCCc2ccsc21)NS(=O)(=O)N1CCCCC1 95947703 JEOBATOQIBMMPV-LBPRGKRZSA-N 344.458 1.599 0 40 EDAB COc1ccccc1[C@@H](C)NC(=O)c1cn(C2CCNCC2)nn1 95947748 QREAWBAQYAYANY-GFCCVEGCSA-N 329.404 1.702 0 40 EDAB C[C@@H]1CN(Cc2cn(C)nc2-c2ccccc2Cl)C[C@@H](C(N)=O)O1 95983033 YPOCFXYOHAKNTA-ABAIWWIYSA-N 348.834 1.815 0 40 EDAB CCc1ncc(CN(C)C[C@H]2CCCN(S(C)(=O)=O)C2)s1 89296023 IYJBSGXPQMBIHJ-GFCCVEGCSA-N 331.507 1.809 0 40 EDAB C[C@@]1(C(=O)N2CCN(S(C)(=O)=O)CC2)CCc2ccccc2C1 79373537 UYPMUEYZVKDQKR-QGZVFWFLSA-N 336.457 1.285 0 40 EDAB Cc1noc(C)c1Cn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2 1547200886 AFDCKAULWFGPHW-UHFFFAOYSA-N 343.318 1.825 0 40 EDAB Cn1cnc([C@@H]2CN(C(=O)C3CC3)C[C@]23CCN(CC2CC2)C3=O)c1 306125172 CIGFWYXCZSOHFA-HNAYVOBHSA-N 342.443 1.385 0 40 EDAB CN(C)C(=O)CN1CCCN(C(=O)c2cccc3c2ccn3C)CC1 69512338 NJGLLVONHPLWCL-UHFFFAOYSA-N 342.443 1.414 0 40 EDAB CC[C@@H](Cc1ccccc1)c1nc(-c2ncn(CC(N)=O)n2)no1 545790661 PZPRJMMVDCNNSN-LBPRGKRZSA-N 326.360 1.550 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306133508 MNKBAVIZRWNESR-STQMWFEESA-N 336.363 1.254 0 40 EDAB C[C@H]1CN(C(=O)c2c[nH]nc2-c2cccnc2)CCN1CC(C)(C)O 548059257 RMGIUKLLKYUAQD-ZDUSSCGKSA-N 343.431 1.389 0 40 EDAB CCC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3cnc4n3CCC4)C[C@H]21 1014612496 LFUKTWQEYUKWSC-BFHYXJOUSA-N 330.432 1.596 0 40 EDAB CC(C)(C)c1ccc2c(NC(=O)c3nccnc3C(=O)O)n[nH]c2n1 72401769 OZVICBVLNKFUAI-UHFFFAOYSA-N 340.343 1.996 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1NC1CC1 217630871 IYXZFOXIMSGZRU-NSHDSACASA-N 340.401 1.416 0 40 EDAB O=C(O)[C@@H](c1cccc(Br)c1)N1CCn2ncnc2C1 518546693 MXPZXHXROGLHKV-GFCCVEGCSA-N 337.177 1.682 0 40 EDAB O=C(NC[C@@H]1CCCN(C(=O)CCc2ccsc2)C1)[C@H]1CCCN1 122144470 FLGTVHGJFRCJQX-JKSUJKDBSA-N 349.500 1.788 0 40 EDAB CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1N 71768140 IBFIILUNSRDMSN-UHFFFAOYSA-N 334.445 1.851 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(F)cccc1F 36293860 OPDWDUOCQIUQOZ-ZDUSSCGKSA-N 341.335 1.939 0 40 EDAB CCOC[C@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(F)c1 218567787 WNOZISMGSKYKKF-SGMGOOAPSA-N 331.434 1.645 0 40 EDAB O=C1[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1CC[C@@H]1CCCO1 189349269 YKEYCAOSZDGTLV-GVDBMIGSSA-N 328.412 1.673 0 40 EDAB Cc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)CO)C3)n2)s1 72376065 XZLQZIBXXZFXTG-LLVKDONJSA-N 333.417 1.683 0 40 EDAB Cc1nccn1CC(=O)N1CCC[C@@](C)(C(=O)NC2CCCC2)C1 72392228 LFJRXXNVSKOHMI-GOSISDBHSA-N 332.448 1.879 0 40 EDAB Cc1ccc(C)c(OCC(=O)N2CCC(NS(C)(=O)=O)CC2)c1 40024932 KJCPRCXYPQCFOB-UHFFFAOYSA-N 340.445 1.222 0 40 EDAB O=C(c1cc(C2CC2)n[nH]1)N1CCc2nc3ccccn3c(=O)c2C1 225778138 OEWPMLBNSKTGHS-UHFFFAOYSA-N 335.367 1.494 0 40 EDAB O=C(CCc1cscn1)NCC1CCN(C(=O)C(F)(F)F)CC1 81463196 CRPLASGIXPXBJM-UHFFFAOYSA-N 349.378 1.993 0 40 EDAB Cc1nc(S(=O)(=O)N2CCN(CCOCC(C)C)CC2)cs1 225721583 RXYCAMDUFRCUNO-UHFFFAOYSA-N 347.506 1.430 0 40 EDAB O=C(NCCN1CCCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 46854889 UEUKENXQRUTNEQ-SFHVURJKSA-N 343.471 1.680 0 40 EDAB COc1cncc(O[C@@H]2CCCN(C(=O)c3cnc(C)cn3)C2)n1 225500482 MLEWPBWTXOMCGQ-GFCCVEGCSA-N 329.360 1.267 0 40 EDAB O=C1[C@H](N2C[C@@H](O)C[C@H]2CO)CCN1c1ccc(Cl)cc1Cl 225598971 BSZQFYVAJHMRGI-COPLHBTASA-N 345.226 1.526 0 40 EDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](CO)C1 85468884 ITUWCHSZXCXRFP-MPKXVKKWSA-N 327.808 1.745 0 40 EDAB c1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN2CCCC2)nc1 96057934 JRQZWEWCIWNVSZ-IPMKNSEASA-N 331.460 1.926 0 40 EDAB CCC[C@H]1CN(Cc2cncn2C)C[C@@H]1NC(=O)C1(COC)CCC1 91625644 XTNOMGSCANQIBT-RDJZCZTQSA-N 348.491 1.954 0 40 EDAB O=C(NC1CCCC1)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 96184019 WFDISVALDBFSAS-CVEARBPZSA-N 328.416 1.909 0 40 EDAB NC[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CC12CCOCC2 578011828 AUEYZNXZUHZNSS-INIZCTEOSA-N 340.427 1.700 0 40 EDAB CS(=O)(=O)[C@](Cl)(Br)C(=O)c1ccc(N)cc1 96518152 QMIFEUCKCVOBME-VIFPVBQESA-N 326.599 1.784 0 40 EDAB CCOCC(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2Cc1csc(C)n1 96186381 VHJNBBVGJKKSCK-KBPBESRZSA-N 337.445 1.580 0 40 EDAB CC(=O)c1cn(Cc2nc(-c3ccccc3)oc2C)c(=O)n(C)c1=O 96466333 WGNSBCNQQHCYDV-UHFFFAOYSA-N 339.351 1.761 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccsc2)Cc2nnn(C)c21 96198562 ZTXKVTPRTUNSLL-ZDUSSCGKSA-N 349.460 1.081 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)N1CCCC1)C2 96238224 WRYWWVUQFXGBTH-KRWDZBQOSA-N 348.472 1.687 0 40 EDAB O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(c2ncc(F)cn2)C1 96041297 URNVANPMJPJFLS-CYZMBNFOSA-N 344.350 1.028 0 40 EDAB Cc1noc(C)c1CN1CCn2c(CN3CCN(C)CC3)cnc2C1 96070113 OOGLLJVHLKTPPF-UHFFFAOYSA-N 344.463 1.251 0 40 EDAB CC(C)n1cc([C@]2(O)CCN(C(=O)COC3CCCCC3)C2)nn1 583618796 NNJIOAKITIPVOC-KRWDZBQOSA-N 336.436 1.628 0 40 EDAB O=C(c1cnccn1)N1CCc2ncc(CN3CCCCC3)n2CC1 96067899 UXDJKYPVXDYAEO-UHFFFAOYSA-N 340.431 1.358 0 40 EDAB CCOC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2nccn2C1 96187817 PJBMJPIEUDZGOA-ZDUSSCGKSA-N 343.383 1.921 0 40 EDAB c1ccc(CN2CCC3(CC2)CN(c2ncccn2)CCO3)nc1 96159023 CQEILZPQKLVAHS-UHFFFAOYSA-N 325.416 1.743 0 40 EDAB Cc1nc(CO[C@H]2CN(C(=O)N(C)C)[C@@H]3CCCO[C@H]23)cs1 96040944 UZSFZLFYJIESNM-RDBSUJKOSA-N 325.434 1.882 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 247870976 QQSAUEMANJWCIN-SNVBAGLBSA-N 335.360 1.988 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257303196 SGEGUTNQKYTAOA-AWEZNQCLSA-N 345.374 1.582 0 40 EDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)Cc2nonc2C)n1 257239535 HPTRBOAZVHKPGV-HNNXBMFYSA-N 344.419 1.444 0 40 EDAB O=C(CN1CCCC1)N1CCOC[C@H](Cc2ccc3[nH]ncc3c2)C1 257323001 WIJGUERXSXMANJ-MRXNPFEDSA-N 342.443 1.676 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@]1(COC)C(=O)O 252514291 BTXAAJYKDNSGIM-NFAWXSAZSA-N 342.369 1.033 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H]2OCC(=O)N(C(C)C)[C@H]2CC1 257218741 DEGQXTGZRAGDBQ-HOTGVXAUSA-N 348.447 1.196 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@@H](Cc3ccc4nccn4n3)C2)no1 257302401 SCUINYDFMCXTDD-ZDUSSCGKSA-N 341.371 1.357 0 40 EDAB CNc1cc(C)nc([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)c1 257291140 QFVCTFGWIRQQHY-KRWDZBQOSA-N 343.431 1.914 0 40 EDAB Cc1ccc(-c2nnc(CCC(=O)NCCN3CCOCC3)o2)cc1 41208036 AVKWTYUBWGPZRK-UHFFFAOYSA-N 344.415 1.426 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1 257227788 FQWONWJCZOFJNW-INIZCTEOSA-N 343.431 1.668 0 40 EDAB COC(=O)c1cnn2ccc(NC(=O)CCCN(C)C(=O)OC)cc12 585125476 UTBVUDSUSOZNFJ-UHFFFAOYSA-N 348.359 1.538 0 40 EDAB CNC(=O)[C@@]1(CCCc2cccc(Br)n2)CCN1C 257197492 AZKYKTDURFJEPE-CQSZACIVSA-N 326.238 1.987 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 585121819 BBKGWYIEWIJPKA-VWYCJHECSA-N 327.368 1.858 0 40 EDAB CCOC(=O)c1cnc(CC)nc1NC1CCN([C@@H]2CCOC2)CC1 585139254 DJQJRQIYEIBKID-CQSZACIVSA-N 348.447 1.881 0 40 EDAB CN(C(=O)CCc1ccccc1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257241828 HZTYAOKBNSFREE-ZHALLVOQSA-N 332.444 1.302 0 40 EDAB COC(=O)Cc1ccnc(NCCc2csc(N3CCCC3)n2)n1 252489204 JKMCLUODQZCKPT-UHFFFAOYSA-N 347.444 1.903 0 40 EDAB Cc1cccc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)c1 257308456 TWSZMRKAWYSQER-LJQANCHMSA-N 340.427 1.889 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H]1c1cncc(N(C)C)n1 257268497 MLXXATKUTZSKHY-OAHLLOKOSA-N 328.420 1.789 0 40 EDAB CCn1cc(C(=O)N2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)cn1 257210235 BTSUAYNOHVYYEB-VNQPRFMTSA-N 340.431 1.680 0 40 EDAB Nc1cc(CC[C@H]2CN(C(=O)CN3CCCCC3)CCO2)ccn1 257322493 WGEKTHSMWBEQTL-INIZCTEOSA-N 332.448 1.310 0 40 EDAB COC[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1c1cnn(C)c1 585655672 XWKFFQUZCJZRFZ-IRXDYDNUSA-N 328.416 1.381 0 40 EDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCO[C@@H](c2cnccn2)C1 257225563 FGTFCIPZJISUIH-OAHLLOKOSA-N 336.355 1.271 0 40 EDAB Cc1cc2nc(C3CCN(C(=O)c4ccno4)CC3)cc(O)n2n1 257304350 SLFXSHGDBDZGBE-UHFFFAOYSA-N 327.344 1.751 0 40 EDAB CCO[C@@H]1C[C@@](NC(=O)c2cnn3ccc(C)nc23)(C(=O)O)C1(C)C 262824675 QFLKZVXACFZKKW-SJKOYZFVSA-N 346.387 1.426 0 40 EDAB COCc1cc(O)nc(N2CC[C@H](NC(=O)c3ccccc3O)C2)n1 1616032013 HFUMDHRWPYAOBK-NSHDSACASA-N 344.371 1.043 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)CN2CCOCC2)C1 585277921 XRFSWSGGKLJQHT-LJQANCHMSA-N 348.443 1.060 0 40 EDAB O[C@@]1(COc2cccc(F)c2)COCCN(Cc2ccncc2)C1 585269225 MCUHIIOHIKOOBZ-GOSISDBHSA-N 332.375 1.863 0 40 EDAB COc1c(Cl)cc(C(=O)N2CCO[C@@H](C(=O)O)C2)cc1Cl 43701778 FYYPGSSTHNVQLG-SNVBAGLBSA-N 334.155 1.928 0 40 EDAB CCn1cnc2c1CCN(C(=O)Nc1cnc3c(c1)COCC3)C2 930754405 VNAXVHONNGRLRB-UHFFFAOYSA-N 327.388 1.961 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCOc2ccccc21 48763257 YKYWUMXLJXKJNJ-CYBMUJFWSA-N 340.335 1.994 0 40 EDAB NC(=O)CN(CC(=O)NCc1ccc(Cl)s1)C1CCCC1 52844010 DICDWXOJOOLZCB-UHFFFAOYSA-N 329.853 1.748 0 40 EDAB C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H](c2ccccc2)O1 67830104 SYULENSVKLOSBU-NVXWUHKLSA-N 346.427 1.614 0 40 EDAB COc1ccc(C)c2c1N(C(=O)CN(C)S(C)(=O)=O)CCC2 67843042 BEJBVNSLXRRPTL-UHFFFAOYSA-N 326.418 1.174 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1ccc(N(C)CC(C)C)nc1)C2 69511158 RTTIUNAYVXGXJQ-UHFFFAOYSA-N 328.420 1.730 0 40 EDAB CCN1CCC[C@H]1CNC(=O)Cc1csc(-c2ncccn2)n1 69561110 UUCREOSDQYONOI-ZDUSSCGKSA-N 331.445 1.743 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)[C@@H](C)C(=O)N1CCC(C)CC1 58595935 SHKCQUNMAPSWBC-ZDUSSCGKSA-N 328.434 1.853 0 40 EDAB CCOC[C@@H]1CCCN(CC(=O)N2CC(=O)Nc3ccccc32)C1 72976964 PYOVLPKDLQTGOD-CQSZACIVSA-N 331.416 1.720 0 40 EDAB CNc1ncnc2ncn(C[C@@H](O)COc3ccc(Cl)cc3)c12 75140164 UDDIUDZWRPFWSF-LLVKDONJSA-N 333.779 1.961 0 40 EDAB Cc1cnc(CCNS(=O)(=O)c2cc(Cl)cnc2N)s1 95433809 RCYGIKHLALOGLE-UHFFFAOYSA-N 332.838 1.603 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCN(C[C@H](O)c2ccco2)CC1 85436719 CRIJFWYUELUKKH-INIZCTEOSA-N 347.415 1.695 0 40 EDAB C[C@H]1C[C@H](NS(=O)(=O)c2cc(F)ccc2NCCO)C[C@@H](C)O1 1615046360 ABPLRBMJDUQNNS-PTEHBNRSSA-N 346.424 1.464 0 40 EDAB O=S(=O)(Cc1noc([C@@H]2CNCC23CCCCC3)n1)C1CC1 1615059257 YISJZYQRKKDBSH-LBPRGKRZSA-N 325.434 1.784 0 40 EDAB OCc1ccnc(N2Cc3ccccc3OC3(CCOCC3)C2)n1 1615572685 AJCRDNMGBHSJBI-UHFFFAOYSA-N 327.384 1.917 0 40 EDAB C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)Nc1nccn2nnnc12 1615615242 NGYFKWGIBNQLPU-JTQLQIEISA-N 333.396 1.577 0 40 EDAB C[C@H](O)CNC(=O)CN1CSC(=S)N(Cc2ccccc2)C1 1615587414 ZGZZEPJUYFWWTH-LBPRGKRZSA-N 339.486 1.234 0 40 EDAB Cn1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)n1 13667473 XEKGITPKMKYYGF-UHFFFAOYSA-N 336.398 1.686 0 40 EDAB CCCCc1c(C)nc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O 17071851 HCSKTWQUUZUUFF-UHFFFAOYSA-N 344.415 1.976 0 40 EDAB Cc1nc(C)c(C(=O)N2CCC[C@H](NC(=O)c3cnccn3)CC2)o1 19749060 NGLMKBLRDIFCFR-ZDUSSCGKSA-N 343.387 1.506 0 40 EDAB CN(C)c1cccc(C(=O)N2[C@H]3CC[C@H]2CC(S(C)(=O)=O)C3)c1 101115703 REZAIRZIOKKVDR-GJZGRUSLSA-N 336.457 1.933 0 40 EDAB Cc1cccc(N2C[C@H](C(=O)Nc3nnn(C)c3C)CC2=O)c1C 519810439 FCUDARBYNQGYPP-CYBMUJFWSA-N 327.388 1.732 0 40 EDAB O[C@]1(COc2cccc(F)c2)COCCN(Cc2cscn2)C1 643914626 TVKDJTVAJXTKHI-INIZCTEOSA-N 338.404 1.925 0 40 EDAB Cn1c(N2CCC[C@H](C(=O)N3CCOCC3)C2)nc2cccnc21 1889111381 HICWEGYLDFDVPF-ZDUSSCGKSA-N 329.404 1.044 0 40 EDAB O=c1c2oc3ccccc3c2ncn1CCn1nc2ccccn2c1=O 31845340 JJWVAPGUEPLLHL-UHFFFAOYSA-N 347.334 1.652 0 40 EDAB CN(C(=O)c1cncc(Br)c1)C1CN(c2cnccn2)C1 1776001422 RIXSTPNTSHRPKO-UHFFFAOYSA-N 348.204 1.595 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3C[C@@]32C(=O)NCc2cccnc2)n(C)n1 2056223847 HFHDEOQWKVMRAD-KSSFIOAISA-N 339.399 1.045 0 40 EDAB c1cnc2ncnc(N3CC[C@H](COc4ccc5nccn5n4)C3)c2c1 2087061348 CQUCPQSYMJRHSZ-ZDUSSCGKSA-N 347.382 1.973 0 40 EDAB CC(C)N(C)CC(=O)N1CCC2(CC1)CCN(c1ccn(C)n1)C2=O 1565546025 UJOANQLQIKNJPY-UHFFFAOYSA-N 347.463 1.106 0 40 EDAB O=C(CCF)N1C[C@H]2OCCN(C(=O)c3ccsc3)C[C@H]2C1 1565555819 QAQAUCBAMKEZEB-QWHCGFSZSA-N 326.393 1.407 0 40 EDAB Nn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nncc1=O 12348239 UJVYJKFXTQWZOV-UHFFFAOYSA-N 346.199 1.390 0 40 EDAB Cc1cc(C(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)n(C)n1 218964097 CBOILYWGDYYPHQ-UHFFFAOYSA-N 331.372 1.674 0 40 EDAB COc1ccc(OCc2noc(CNS(=O)(=O)C3CC3)n2)cc1 49027636 GHRYWHQCQHLOFU-UHFFFAOYSA-N 339.373 1.239 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)NCc1cc(C2CC2)ncn1 585360252 FBZYZTOKZYPAMY-UHFFFAOYSA-N 349.394 1.770 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1 225801227 SJXAGFHJOWEEAY-NSHDSACASA-N 340.339 1.509 0 40 EDAB Cn1cc(-c2cnc3nc4c(cc3c2)CN(S(C)(=O)=O)CC4)cn1 2298136581 JOPVTQXNKWFBCY-UHFFFAOYSA-N 343.412 1.348 0 40 EDAB CN(CCc1ccncc1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 96684299 TWLHSTYUMNDNFD-INIZCTEOSA-N 338.411 1.526 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@H](n3cccn3)C2)CN1Cc1ccco1 69349254 GOAPTNCZHFUOEB-CABCVRRESA-N 342.399 1.688 0 40 EDAB O=C1CN(C(=O)c2nn(-c3ccccc3)c3c2CCCCC3)CCN1 40553379 OHETXEYSUZGMPJ-UHFFFAOYSA-N 338.411 1.713 0 40 EDAB CCOC(=O)CN1C(=O)N[C@@](CC)(c2ccc(OC)c(C)c2)C1=O 82238061 BEVMRTXEKOXMEP-KRWDZBQOSA-N 334.372 1.724 0 40 EDAB O=C(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 40540227 GGSFJABUJFUQGI-SNVBAGLBSA-N 337.319 1.431 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 29193351 SIVSYYAYFIYLBA-SNVBAGLBSA-N 334.800 1.633 0 40 EDAB CC(C)(C)OC(=O)N1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 100915298 PISZJWIEFRPUKK-ZIAGYGMSSA-N 349.431 1.448 0 40 EDAB COc1cccc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 31941441 OCRHBZKUOOJBIE-QGZVFWFLSA-N 336.457 1.633 0 40 EDAB Cn1/c(=N\C(=O)c2ccc(S(C)(=O)=O)o2)sc2ccccc21 101098365 QLPXDFZTQPFBHH-CCEZHUSRSA-N 336.394 1.977 0 40 EDAB CC(C)C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O 4713651 OJRFNXGMICVJAG-NWDGAFQWSA-N 329.441 1.552 0 40 EDAB COCc1cccc(CNC(=O)N2CCN(c3ncccn3)CC2)c1 46158161 QAJPSUQSTUWVEQ-UHFFFAOYSA-N 341.415 1.655 0 40 EDAB CCOc1ccc(OCCN2CCC(N3CCNC3=O)CC2)cc1 52214541 MZBZDXQOHJODDP-UHFFFAOYSA-N 333.432 1.954 0 40 EDAB CCN(CC)[C@@H](C(=O)OCC(=O)N[C@@H](C)COC)c1ccccc1 69662833 CSSWJHSCZWBRIN-WMLDXEAASA-N 336.432 1.764 0 40 EDAB O[C@@H](COc1ccccc1)CSc1nnnn1C[C@@H]1CCCO1 32814779 WTQJFDNVTAPUTH-JSGCOSHPSA-N 336.417 1.384 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1ccc(OCCN(C)C)cc1)CC2 69652164 RIVBJARJPGQTPK-MRXNPFEDSA-N 343.475 1.886 0 40 EDAB CCOc1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1OCC 11905152 MZTFGGFILAOPEF-UHFFFAOYSA-N 347.371 1.363 0 40 EDAB CCCc1cc(C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cs1 102602221 GOQSIEOMOYVZKK-NDBYEHHHSA-N 334.397 1.508 0 40 EDAB Cc1c([C@@H](C)NC(=O)Nc2cc(C(N)=O)ccc2N(C)C)cnn1C 69742914 LASDRRFYARLQNT-SNVBAGLBSA-N 344.419 1.776 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H]2CCCN2)cc1Br 53254781 NKMGOMVSEIOUDN-VIFPVBQESA-N 349.250 1.488 0 40 EDAB C[C@@H](C(=O)N1CCSc2ccccc21)N1CCN(CCO)CC1 69741325 OUDPHKOZDZXDNU-AWEZNQCLSA-N 335.473 1.124 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](c1ccccc1)c1cccs1 12272192 VMXZSSKPPMBWNL-INIZCTEOSA-N 341.392 1.504 0 40 EDAB Cc1cccnc1NC(=O)NC[C@]1(N2CCOCC2)CCSC1 47071591 QJPTVMKJLWPELJ-MRXNPFEDSA-N 336.461 1.719 0 40 EDAB O=C(c1cn2cc(Cl)ccc2n1)N1CCN(c2ncccn2)CC1 12323853 OBAQBUZPBFPSNF-UHFFFAOYSA-N 342.790 1.740 0 40 EDAB COc1ccccc1CN1CCC(Nc2ccc3nnnn3n2)CC1 54125264 ZVTHSDKMRFUBOK-UHFFFAOYSA-N 339.403 1.604 0 40 EDAB CC(C)NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 23109767 WYDOUYLNGQKINF-OAHLLOKOSA-N 343.427 1.169 0 40 EDAB CCN1CCN(CCNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 42592551 TWZIKLKRSNYPDE-UHFFFAOYSA-N 345.422 1.583 0 40 EDAB Cn1nccc1CN1CCC2(CC1)CC(NS(=O)(=O)C1CC1)C2 108525192 KJWLHCZMSZCIFW-UHFFFAOYSA-N 338.477 1.247 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCC1=CCCCC1 105615815 GOAMFDINFKIMQQ-XJNFMUPTSA-N 328.412 1.800 0 40 EDAB CCc1cccc(NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1 173053094 BMDLQXITHGYTDE-UHFFFAOYSA-N 346.408 1.760 0 40 EDAB COC(=O)c1cc(CNC(=O)c2sccc2-n2cnnn2)oc1C 55824319 ZYQYHMMMZBXKKF-UHFFFAOYSA-N 347.356 1.342 0 40 EDAB CCc1n[nH]c([C@@H]2CN([C@H](C)C(=O)NCc3cccs3)CCO2)n1 107354448 UBOIRSBHJVMRNA-YPMHNXCESA-N 349.460 1.507 0 40 EDAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1 3220765 FJDYPIZFPSVWCA-UHFFFAOYSA-N 332.809 1.364 0 40 EDAB O=C1N[C@](N2CCOCC2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1 22145335 YCKLEINGDYRZMN-CYBMUJFWSA-N 347.268 1.473 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)no1 27036523 JVQPLRVZVUEHJY-WDEREUQCSA-N 344.371 1.992 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC2)c(Cl)c1 58185345 ASDHHLPDYRQYBY-NSHDSACASA-N 330.837 1.938 0 40 EDAB CN1CCN(c2ncccc2CNC(=O)NCc2ccsc2)CC1 58282229 IOBZMOHSQWYBKD-UHFFFAOYSA-N 345.472 1.894 0 40 EDAB Cc1ccnc2nc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)nn12 58268170 QRECNDYFQHQNIW-LLVKDONJSA-N 339.355 1.695 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C1CC1 12606295 VHAIAWVMRAUSOV-UHFFFAOYSA-N 331.416 1.708 0 40 EDAB O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(c2ncccn2)CC1 17071846 FKTTVMUTXAEHHI-CVSAEHQPSA-N 344.415 1.262 0 40 EDAB Cc1ccc(C(=O)NCCNc2cnccn2)cc1S(C)(=O)=O 48278394 MCMDBTORMRSXEH-UHFFFAOYSA-N 334.401 1.030 0 40 EDAB CN(Cc1ccc(Br)o1)C(=O)Cn1cccnc1=O 48234825 IDFHBYDWMQXRHW-UHFFFAOYSA-N 326.150 1.257 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)NCc1ccc(S(N)(=O)=O)cc1 48278375 KCVTXDKKBRUNNG-LLVKDONJSA-N 337.401 1.357 0 40 EDAB O=C(CCCc1ccccn1)NC1CCN(c2ncccn2)CC1 69457281 FCMYARQXHBZRLO-UHFFFAOYSA-N 325.416 1.980 0 40 EDAB CCS(=O)(=O)N1CCc2c(cccc2NC(=O)[C@@H](C)OC)C1 69451349 VMGKOAMVYTTYMV-LLVKDONJSA-N 326.418 1.368 0 40 EDAB COCCNC(=O)[C@H](C)S(=O)(=O)c1cc(Cl)ccc1Cl 48301189 IVUOPIHECAMEDU-QMMMGPOBSA-N 340.228 1.918 0 40 EDAB CCc1nnc2n1CCN(C(=O)CN1CCc3sccc3C1)C2 69454158 OPWQLHMBWMGXHK-UHFFFAOYSA-N 331.445 1.303 0 40 EDAB Cc1cc(NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)n(C)n1 48302074 PZPDLQHFNHOXRM-UHFFFAOYSA-N 343.435 1.197 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)C2(CO)CO)cc1 218049906 SDWLCSRWQZRCCY-DLBZAZTESA-N 332.421 1.906 0 40 EDAB CC(C)OCCCNC(=O)c1cccc(N2CCCS2(=O)=O)c1 12803689 YAWKFGRFBRLLBI-UHFFFAOYSA-N 340.445 1.771 0 40 EDAB CCS(=O)(=O)CCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1ccsc1 69492046 AAIJAWFQTXVWAL-AAEUAGOBSA-N 345.442 1.547 0 40 EDAB C[C@H](c1ccccc1)N(C)C(=O)Cn1nnn(-c2ccccc2)c1=O 12908482 JNKYIWDYUBHLEX-CQSZACIVSA-N 337.383 1.649 0 40 EDAB COc1ccc(NC(=O)N2CCSCC2)cc1-n1nnnc1C 69869870 YWLMCEPRWGHMFG-UHFFFAOYSA-N 334.405 1.560 0 40 EDAB NC(=O)C1CCN(c2ncccc2CNC(=O)[C@H]2CC=CCC2)CC1 69520834 WFSWDTXYZZKFGM-HNNXBMFYSA-N 342.443 1.756 0 40 EDAB CC(C)OC(=O)c1ccc(NC(=O)CSc2nncc(=O)[nH]2)cc1 4386701 JUOTXULLTQPMQJ-UHFFFAOYSA-N 348.384 1.461 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1nnnn1-c1ccccc1 69947213 ANNUQIPTQZRLMW-DLBZAZTESA-N 340.431 1.638 0 40 EDAB O=C(NCCNc1cn[nH]c(=O)c1Cl)c1ccc(F)cc1F 65575687 KORBAXBUDYEZOM-UHFFFAOYSA-N 328.706 1.543 0 40 EDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 4505307 KCSFKVCPMDDLDU-LLVKDONJSA-N 337.850 1.538 0 40 EDAB COC(=O)c1nnn([C@@H](C)C(=O)Nc2ccccc2)c1C(=O)OC 67240228 DXKQXHVZNGCRJY-VIFPVBQESA-N 332.316 1.051 0 40 EDAB O=C(CSc1nnnn1C1CCCCC1)NC(=O)c1ccco1 8944527 QCSKFOYIFGLDKX-UHFFFAOYSA-N 335.389 1.820 0 40 EDAB Cc1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1C 7216993 VDQYADVTYNPQLK-SNVBAGLBSA-N 345.428 1.980 0 40 EDAB CCc1nnsc1C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C 68112063 KDXRILWNKMHQJG-SECBINFHSA-N 328.463 1.530 0 40 EDAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N1CCNC1=O 7617083 SRVLACNQFMQBEC-UHFFFAOYSA-N 344.400 1.319 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 16022051 NUANHMFWMWBFGM-PRKYJLDLSA-N 341.411 1.535 0 40 EDAB CCN1C(=S)N(c2ccccc2OC)[C@@H]2CS(=O)(=O)C[C@H]21 9061295 FVAHYBWNLBPZBF-VXGBXAGGSA-N 326.443 1.288 0 40 EDAB CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)C1=O 8131712 JQWVAFNXUDQDLL-VFZGTOFNSA-N 339.779 1.859 0 40 EDAB CCN(CC)c1ncc(CN2CCS(=O)(=O)C(C)(C)C2)s1 93735248 WIEVVYFVKBYNHV-UHFFFAOYSA-N 331.507 1.998 0 40 EDAB COc1ccccc1N1CC[C@@H](NCC(C)(C)S(C)(=O)=O)C1 96494390 IEKWRWSODPKHHV-CYBMUJFWSA-N 326.462 1.687 0 40 EDAB Cc1nc(C)c(CC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)c(=O)[nH]1 71827160 PDEOPOYGKCVBFI-SJCJKPOMSA-N 341.411 1.918 0 40 EDAB CN(CC(=O)Nc1ccncc1)C[C@H]1CCCN1c1cccnn1 71860071 SUTBMYWYHVWVDC-OAHLLOKOSA-N 326.404 1.411 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@H](C)S(C)(=O)=O)n1 71865525 RTTQMKRJYGVEJO-KBPBESRZSA-N 327.450 1.314 0 40 EDAB Cn1c(CN2CCC(Oc3ccccc3)CC2)cc(=O)n(C)c1=O 71824918 XGZKDLPCBALXEN-UHFFFAOYSA-N 329.400 1.127 0 40 EDAB Cn1c([C@H]2CCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 71839177 QBWLLBYQZVYLFX-IUODEOHRSA-N 347.440 1.672 0 40 EDAB O=C1CN(C(=O)Cn2cnc(C3CCC3)cc2=O)c2ccccc2N1 89704614 JKNIYXMULBSVMN-UHFFFAOYSA-N 338.367 1.496 0 40 EDAB C[C@@H](C(=O)N1CCCCCC1)[S@](=O)Cc1cccc(C(N)=O)c1 83888849 HSVRKYNLEZULIM-NPMABZOXSA-N 336.457 1.825 0 40 EDAB CC1(C)NC(=O)N(CCCNC(=O)C(C)(C)c2ccccc2)C1=O 71907994 YNHZDMKMKSPRSO-UHFFFAOYSA-N 331.416 1.801 0 40 EDAB O=C(NCC1(CO)CC1)[C@H]1CCCN1c1ncnc2sccc12 89885386 WVWMIOFVKBDLBQ-GFCCVEGCSA-N 332.429 1.549 0 40 EDAB O=c1c2cnn(-c3ccccc3)c2nnn1CSc1ncc[nH]1 89857557 PAAGCCPCACUHBB-UHFFFAOYSA-N 325.357 1.450 0 40 EDAB COc1ccc([C@H](O)CNc2cc(N3CCC[C@@H]3CO)ncn2)cc1 72276108 UISKMZJVVJGRCV-GDBMZVCRSA-N 344.415 1.592 0 40 EDAB CNC(=O)CNC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 72295084 XHSXBBCKPPSPCO-UHFFFAOYSA-N 341.293 1.759 0 40 EDAB CCc1c(C)nc2ccccc2c1N1CCN2C(=O)C(=O)NC[C@H]2C1 97046802 MMINIWFAZWOKRT-ZDUSSCGKSA-N 338.411 1.253 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1csc(-c3cnn(C)c3)n1)CC2 97198860 MAEFYHRXEDLFEQ-NSHDSACASA-N 343.416 1.188 0 40 EDAB Cc1nc(N2CCCC2)ccc1NC(=O)N[C@H]1CCc2ncnn2C1 97104113 WJPYRCGYZDGDLV-ZDUSSCGKSA-N 341.419 1.718 0 40 EDAB Cc1nn(CCO)c(C)c1CNC1CCN(C(=O)C(C)(C)C)CC1 97159810 ZOPXJFNBDZYRBB-UHFFFAOYSA-N 336.480 1.619 0 40 EDAB CC(C)(O)[C@H]1CCCN1C(=O)NCCn1c(=O)oc2ccccc21 97114559 IIWAPILLVHFEHF-CQSZACIVSA-N 333.388 1.539 0 40 EDAB COc1ccccc1-c1noc([C@@H]2CC(=O)N(c3cn[nH]c3)C2)n1 97164365 UEFVHYVQWZMTCR-SNVBAGLBSA-N 325.328 1.989 0 40 EDAB C[C@@H](O)[C@@H]1CCN(C(=O)NCCc2ccc(Br)o2)C1 97108048 JFKFJJFUPLIPML-NXEZZACHSA-N 331.210 1.997 0 40 EDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCC1=Cc2ccccc2OC1 72300531 FMYDLVHVBHWBIV-BBRMVZONSA-N 336.457 1.722 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 97375593 BODUWVOSRYDHDQ-INIZCTEOSA-N 333.457 1.720 0 40 EDAB NC(=O)c1cccc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)c1 84572794 FEDLRMXEWCCADN-UHFFFAOYSA-N 346.350 1.124 0 40 EDAB CCCc1n[nH]c([C@H]2CN(CC(=O)NC3CCC(C)CC3)CCO2)n1 76049235 FPSXIZOFXLYHNO-YMAMQOFZSA-N 349.479 1.825 0 40 EDAB CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)CCc2ccccc2F)CCO1 95403575 UOBAJZYOTGUQGQ-XJKSGUPXSA-N 336.407 1.758 0 40 EDAB NC(=O)c1nccnc1C(=O)NCc1cc2cc(F)ccc2s1 95405508 KDYMIHNTYJBCMH-UHFFFAOYSA-N 330.344 1.859 0 40 EDAB C[C@@H](Cn1cnnc1)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 95450577 XMIQCNQQUMMDGJ-QPUJVOFHSA-N 329.187 1.823 0 40 EDAB O=C(CCCNC(=O)c1ccco1)N[C@H]1CCCCC[C@H]1C(=O)O 95409833 JWKAROVSTBTZRM-OLZOCXBDSA-N 336.388 1.939 0 40 EDAB CCN1CCN(c2ccccc2CN[C@@H]2CCS(=O)(=O)C2)CC1 95410382 UXXFQYVSUKGJGI-MRXNPFEDSA-N 337.489 1.105 0 40 EDAB c1cc2c(cc1OCCN1CCN(C[C@H]3CCOCO3)CC1)CCC2 95960658 GGIRYNXPTVUVST-HXUWFJFHSA-N 346.471 1.935 0 40 EDAB COc1ccc2nc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)ccc2c1 95946961 RUFFOPZWVQSWIW-INIZCTEOSA-N 334.397 1.550 0 40 EDAB CC(C)N(C)C(=O)c1ccc(CNC(=O)N2CCNC(=O)[C@H]2C)cc1 78789812 LNHLCNCZJGUIEE-CYBMUJFWSA-N 346.431 1.197 0 40 EDAB CSC[C@H](CCO)NS(=O)(=O)c1ccc(F)c(Cl)c1 89493450 BUBKCNLNSPCVPF-QMMMGPOBSA-N 327.830 1.871 0 40 EDAB O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@H](c1ccccc1)n1cnnn1 79496464 WGKWBYUSARGKNU-HNNXBMFYSA-N 346.354 1.686 0 40 EDAB COCCNC(=O)CCNC(=O)c1cccc(Br)c1C 79711370 FFPNHZXGGYYMGF-UHFFFAOYSA-N 343.221 1.640 0 40 EDAB CCNS(=O)(=O)c1ccc(CCC(=O)NCCCOC)cc1 409392946 UDQLQWKOPWFMSN-UHFFFAOYSA-N 328.434 1.070 0 40 EDAB CN(CCN1CCCC1=O)C(=O)c1ccc2nnc(C(C)(C)C)n2c1 545303575 ZARDHRBGVSHPNX-UHFFFAOYSA-N 343.431 1.721 0 40 EDAB COc1ccccc1CN1Cc2ncnn2C[C@H](C(=O)NC(C)C)C1 306142221 WTRNYLUYYPTSGL-OAHLLOKOSA-N 343.431 1.443 0 40 EDAB CCC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 409367344 UBMFENPDSHRQRR-CQSZACIVSA-N 326.462 1.796 0 40 EDAB CCCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(NC(N)=O)c1 78609935 WDDSVBCZAXRYHD-HNNXBMFYSA-N 346.431 1.975 0 40 EDAB O=C(c1cc(-c2ccc3c(c2)CCO3)[nH]n1)N1CCc2nc[nH]c2C1 1565524229 GRFOTOSPYSZKQN-UHFFFAOYSA-N 335.367 1.933 0 40 EDAB O=C(C[C@@H](CN1CCC(O)CC1)C(=O)O)Nc1ccc2cc[nH]c2c1 72405108 YTIRNXRYKMYNNS-ZDUSSCGKSA-N 345.399 1.654 0 40 EDAB Cn1ccnc1CN1CCC[C@@](CCCc2ccncc2)(C(N)=O)C1 72367259 HYUCMIGKGUQRCD-LJQANCHMSA-N 341.459 1.906 0 40 EDAB O=S(=O)(NCc1cccc(F)c1)c1cnn(-c2ccccn2)c1 72238933 RTMPMQAJIWRHDT-UHFFFAOYSA-N 332.360 1.885 0 40 EDAB C[C@H]1CCn2ncc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c2C1 565540405 UEGXYPIEBJHARG-SWLSCSKDSA-N 327.384 1.891 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(C(=O)c4cccnc4)CC3)nn2)n1 77930496 HPOXGUOGDWDYLQ-UHFFFAOYSA-N 349.398 1.328 0 40 EDAB CC(C)N1C[C@@H](c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CC1=O 78774931 IDGXFKSTYFWHQT-LBPRGKRZSA-N 349.412 1.864 0 40 EDAB O=C(Nc1cccs1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238954157 XOUJKNFDSPIZDI-TXEJJXNPSA-N 331.397 1.915 0 40 EDAB CN(CC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)C1CC1 78611492 DOEHSVOLSVCSBS-UHFFFAOYSA-N 348.428 1.309 0 40 EDAB C[C@H]1CCSCCN1C(=O)NC[C@@H](c1cnn(C)c1)N(C)C 189069591 CLXJAAQGKHBCGQ-JSGCOSHPSA-N 325.482 1.560 0 40 EDAB COc1cc(NS(=O)(=O)c2ccccc2)ccc1-n1cnnn1 40268688 LZSDYLPBUJNZAQ-UHFFFAOYSA-N 331.357 1.472 0 40 EDAB Cc1ccc([C@H](O)CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)o1 49026829 RINKFJUDMBVQLX-SWLSCSKDSA-N 346.358 1.930 0 40 EDAB COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2ccccc2)C1 190368557 KSVWZIMHZAWLPL-INIZCTEOSA-N 326.462 1.559 0 40 EDAB CC(=O)N1CC(NC(=O)C[C@@](O)(c2ccccc2)C(F)(F)F)C1 195552702 NTUZOCFZDSGACR-CQSZACIVSA-N 330.306 1.174 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCc2nc3ccccn3c(=O)c2C1 225778743 QXNRVOYRXWWZFN-UHFFFAOYSA-N 338.367 1.427 0 40 EDAB C[C@H](C(=O)O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 575991908 IGQMVTGMFGKGMY-JTQLQIEISA-N 342.417 1.564 0 40 EDAB O=C(CC1CC1)N[C@H]1COCCC12CCN(c1ncc(F)cn1)CC2 96215950 OXFXZAHSRDFAAS-HNNXBMFYSA-N 348.422 1.908 0 40 EDAB CN(C)CCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181910 MKOCMYYBGRLTIE-DOTOQJQBSA-N 335.423 1.803 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@]2(CCCN(c3ncc(F)cn3)C2)C1 96158365 ZHDIZUPYVNLOJO-HNNXBMFYSA-N 340.424 1.400 0 40 EDAB CN(CCN1CCOCC1)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 96451241 QMSALVRYNWCBMI-UHFFFAOYSA-N 341.411 1.650 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC2)CN(CC2CC2)C(=O)CO3)no1 96201405 WBBRIQLRWRFAHI-UHFFFAOYSA-N 333.388 1.227 0 40 EDAB Cc1cnc(C(=O)N2CCc3ccc(=O)n(CC4CC4)c3CC2)cn1 96196695 FRYYGURXJGDYNG-UHFFFAOYSA-N 338.411 1.598 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCN(C)C1=O)c1ccc(Br)s1 96431193 WHDJWRYDRYWHBP-JGVFFNPUSA-N 331.235 1.961 0 40 EDAB Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4cnn(C)c4)CCN3C2)n1 96110696 ZPBMFJWMBZOQNU-RBUKOAKNSA-N 341.459 1.599 0 40 EDAB CCN1C[C@@H]2[C@@H](OC)CCN(C(=O)COc3ccccc3OC)[C@@H]2C1 96109414 AHLLBENSPLJAPM-XHSDSOJGSA-N 348.443 1.642 0 40 EDAB O=C1CCCN1Cc1nnn2c1CN(Cc1ccsc1)CCC2 96259488 SUEMJEFXMBBPIA-UHFFFAOYSA-N 331.445 1.868 0 40 EDAB CCc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)[nH]n1 96436234 WGYXYHIMPCQHKQ-CYBMUJFWSA-N 327.388 1.858 0 40 EDAB CCOC(=O)[C@]1(Cc2ccccc2Br)CNCCO1 141520308 ABVWSKPXDNDOOZ-AWEZNQCLSA-N 328.206 1.913 0 40 EDAB COc1ccccc1C[C@H](C)N(C)C(=O)NC[C@H]1CN(C)CCN1C 96440117 WHKXXVBZPNCXFN-RDJZCZTQSA-N 348.491 1.513 0 40 EDAB CCN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 96181934 NVURPFUQLWDKNI-WMZOPIPTSA-N 347.434 1.899 0 40 EDAB O=C(O)c1cc2c(nc1NCC1CC1)CCN([C@@H]1CCOC1)CC2 96189579 FSIPVUSKEUHXAW-CQSZACIVSA-N 331.416 1.791 0 40 EDAB CN(C)CCN1C(=O)CC[C@@]12CCCN(Cc1cccnc1)CC2 96217710 KBDQYJDURGYAHD-LJQANCHMSA-N 330.476 1.990 0 40 EDAB Cc1nc(CN2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)cs1 96050523 YTHQIWGAROCYKS-INIZCTEOSA-N 331.445 1.814 0 40 EDAB COCC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H]1Cc1ccccc1 96200817 CXDHNZCYELUULS-MSOLQXFVSA-N 331.460 1.092 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)c3noc4c3CCCC4)CC2)S1 96443745 XLYWIJWHTXTMFW-NSHDSACASA-N 334.445 1.803 0 40 EDAB O=C(NCCCc1nnc2ccccn12)c1ccccc1-n1ccnn1 97372622 VAFRVNLDAUUCMM-UHFFFAOYSA-N 347.382 1.673 0 40 EDAB Cc1ccc(N2CCC[C@@]3(CN(Cc4nccn4C)CCO3)C2)nn1 96074846 DLQHYSWGRXSPNN-GOSISDBHSA-N 342.447 1.390 0 40 EDAB CNC(=O)[C@@H](NC(=O)c1ccc(N(C)C)nc1)c1ccc(F)c(F)c1 97249859 UKRYPJXCIDIQRQ-HNNXBMFYSA-N 348.353 1.643 0 40 EDAB Cc1ccc(N2C[C@H](OCCN3CCCC3)[C@H]3OCCC[C@H]32)nn1 96065404 NPGMRVLGNZRGHA-RYRKJORJSA-N 332.448 1.634 0 40 EDAB O=C(C[C@@H](c1ccsc1)n1cccc1)N[C@H]1CCS(=O)(=O)C1 524733600 XZUZDHXXDRKOIK-KBPBESRZSA-N 338.454 1.832 0 40 EDAB CC(C)n1cc([C@]2(O)CCCN(Cc3cn(C(C)(C)C)nn3)C2)nn1 583617390 FCDRDFMIKAHKHX-KRWDZBQOSA-N 347.467 1.689 0 40 EDAB Cc1ccccc1CCNC(=O)CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O 583614743 XBTJFXNDJOHBRF-QRVBRYPASA-N 346.471 1.516 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2cnn(C)c2)cc1 583616182 SFCDCQJNTVUTKW-WMZOPIPTSA-N 329.400 1.941 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(N)CN 242548464 LMFHWQNFCAIFMR-QJPTWQEYSA-N 333.251 1.006 0 40 EDAB Cn1cc(C(=O)N2CC3(C[C@H](OCc4ccccn4)CS3)C2)cn1 248155282 VJXBTSZORGGJOF-HNNXBMFYSA-N 344.440 1.732 0 40 EDAB CCn1cc(S(=O)(=O)NC(=O)c2cccnc2OC(C)C)cn1 252504823 VMNDHLAMVUCRAO-UHFFFAOYSA-N 338.389 1.204 0 40 EDAB COc1ccsc1S(=O)(=O)NCC[S@](=O)C(F)(F)F 585115400 YMPRWJZTJJLAOD-SFHVURJKSA-N 337.366 1.304 0 40 EDAB C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(C)CCC(=O)NC1 585128695 KZARGAOEURZVGG-OXFYSEKESA-N 343.471 1.930 0 40 EDAB COCC(=O)N1CC[C@@H](Cc2nccnc2-c2c(C)nn(C)c2C)C1 257342811 ZQGFBJGIHUEQMC-AWEZNQCLSA-N 343.431 1.531 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)CCO1 257327194 XAJOJSUZHRURRC-AWEZNQCLSA-N 348.353 1.939 0 40 EDAB CN1CCC[C@H](c2cnc(N3CC4(CCOCC4)OC3=O)cn2)C1 257218319 DCRMRYVESJIWPY-ZDUSSCGKSA-N 332.404 1.792 0 40 EDAB Cc1ccc(CC(=O)N2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)s1 257302277 SCGQAWGXWRXDOP-HNNXBMFYSA-N 348.472 1.984 0 40 EDAB Cc1ccn(CCC(=O)N2CCC[C@@H](Cc3cnc(N)cn3)CC2)n1 257337535 YTEMZUREILVEDC-OAHLLOKOSA-N 342.447 1.825 0 40 EDAB CNc1cnc(C[C@H]2CCCN(C(=O)Cn3ccnc3C)CC2)cn1 257331174 XRSBODDXTVEJKJ-HNNXBMFYSA-N 342.447 1.895 0 40 EDAB COC(=O)CCCCC(=O)Nc1cn(C)cc(Br)c1=O 282639104 KVVJTQYXUDBMMW-UHFFFAOYSA-N 345.193 1.820 0 40 EDAB COCCCNC(=O)c1nc(NC(C)C)ncc1Br 1615589289 NSPXDCFDFNTMMM-UHFFFAOYSA-N 331.214 1.826 0 40 EDAB N[C@H]1CC12CC(NC(=O)c1nn3c(c1Br)CCC3)C2 1615544908 BMWQTTHIPPWIDZ-GAAAAHHMSA-N 325.210 1.201 0 40 EDAB Cc1nocc1S(=O)(=O)N1CCC[C@@H]2c3ncn(C)c3CC[C@H]21 1615585279 AJDYXGQRWYHCIM-NWDGAFQWSA-N 336.417 1.600 0 40 EDAB O=C(Cc1ccsc1)N[C@H]1CCN(c2ccc3nncn3n2)C1 390831821 VFRKQBHCEBTTBR-LBPRGKRZSA-N 328.401 1.123 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2cccs2)C1 575402521 BJCLSUOPZIFEOW-CQSZACIVSA-N 332.429 1.800 0 40 EDAB CCn1c2c(ccc1=O)C[C@@H](NC(=O)CCc1cncnc1)CC2 585110608 HPPBWDOPSTXSPL-HNNXBMFYSA-N 326.400 1.265 0 40 EDAB CCN(CC)[C@@H]1CCN(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)C1 585091023 MRTOYQKDQIPHJY-CHWSQXEVSA-N 336.440 1.282 0 40 EDAB O=C(Cn1cncn1)NC[C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585286403 XYITWJMXJSJLAN-SRCQZFHVSA-N 348.378 1.142 0 40 EDAB Cc1cccc2nc(Cn3cc(-c4nnco4)ccc3=O)cc(=O)n12 43241655 BDRLEFIIAGJVCW-UHFFFAOYSA-N 335.323 1.263 0 40 EDAB CN(CC(=O)NC(N)=O)Cc1ccc(OCc2cccs2)cc1 64011005 GSBWTOYRSNFSPF-UHFFFAOYSA-N 333.413 1.954 0 40 EDAB CCCc1nc(CN2CCC(C(=O)Nc3ncccn3)CC2)no1 65588925 YTUJHUHUGFBNNU-UHFFFAOYSA-N 330.392 1.663 0 40 EDAB CS[C@@H](C)C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 69779803 NCEBFUGBTFHETB-HNNXBMFYSA-N 349.500 1.983 0 40 EDAB O=S(=O)(CC1CC1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 95414128 KPYOSDZMZZAKCD-DLBZAZTESA-N 336.457 1.311 0 40 EDAB COc1ccc(Br)cc1CC(=O)NCCCNC(C)=O 72297100 LUAOMIFESIXAPA-UHFFFAOYSA-N 343.221 1.643 0 40 EDAB CC(=O)N1CCC[C@](O)(CN2CCC(Cc3ncccn3)CC2)CC1 72367489 NQQSTWMPOHQQOX-LJQANCHMSA-N 346.475 1.495 0 40 EDAB COC[C@H](C)S(=O)(=O)NCCc1ccccc1Br 95960180 XXFVAPCCRYZLOB-JTQLQIEISA-N 336.251 1.946 0 40 EDAB CC[C@@H](Oc1ccccc1F)C(=O)N1CC(N2CCN(CC)CC2)C1 1615604645 CNKLMYWXCTVPBT-QGZVFWFLSA-N 349.450 1.831 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@@H](C)n2nc(-c3ccco3)cc(N)c2=O)C1 12181483 IEUJOOSVGASPHR-VXGBXAGGSA-N 330.388 1.905 0 40 EDAB COc1c(C[C@@H]2C[C@H](NC(C)C)C(=O)O2)cc2c(c1OC)OCO2 12401609 GJCMIHNMGVKQCR-NEPJUHHUSA-N 337.372 1.657 0 40 EDAB O=C(CCCn1nc(-c2ccccc2)ccc1=O)NC[C@H]1CCCO1 12882557 QNYFKCILDILTAW-MRXNPFEDSA-N 341.411 1.986 0 40 EDAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(F)cc2)cc1 14153197 VPTPYLVQGHMYIC-UHFFFAOYSA-N 345.330 1.528 0 40 EDAB Cc1n[nH]c2c1[C@H](c1ccccc1)N(CCN1CCOCC1)C2=O 15105844 MKGQRZURBGZPEY-KRWDZBQOSA-N 326.400 1.596 0 40 EDAB CCc1cccc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 15302743 SQYPLCLVHMQBLC-KRWDZBQOSA-N 345.443 1.511 0 40 EDAB Cc1cnc2c(C(=O)N3CC(C(=O)N4CCCCCC4)C3)cnn2c1 19748538 FVMJVLIUOAQOTL-UHFFFAOYSA-N 341.415 1.512 0 40 EDAB COc1ccc(C(=O)N(CC(C)C)[C@@H]2COC[C@@H](O)[C@H]2O)cc1F 643586178 CYWQHFFADGRUMQ-FMKPAKJESA-N 341.379 1.053 0 40 EDAB Cc1nnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)s1 1888842886 XWTHDFHDBIMZNX-UHFFFAOYSA-N 346.460 1.857 0 40 EDAB O=S(=O)(N[C@@H]1CCN(C2CCOCC2)C1)c1c(F)cccc1F 1888913864 AUWMBLUZKRDYAW-LLVKDONJSA-N 346.399 1.496 0 40 EDAB COc1ccccc1S(=O)(=O)NCCCc1cnc2ncnn2c1 244909691 ARRORHQCEHFCSZ-UHFFFAOYSA-N 347.400 1.044 0 40 EDAB COc1cccc(C(=O)N2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)c1 2037985424 JMHNXTYPJNVDJN-LJQANCHMSA-N 346.427 1.795 0 40 EDAB CCN=c1nc(N2CCN(Cc3nc(C(C)C)no3)CC2)cc(C)[nH]1 2087131099 MRLCRXQUKTZHHD-UHFFFAOYSA-N 345.451 1.467 0 40 EDAB O=C(NCc1ccccc1)c1ncn2c1CN(C(=O)CCF)CCC2 1565553529 BWLVWNLQBOVMQQ-UHFFFAOYSA-N 344.390 1.905 0 40 EDAB CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)[C@H]1CCOC1)CCC2 1565555374 ZHXRVJJMIOFNLP-ZDUSSCGKSA-N 348.447 1.428 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@H]2NC(=O)c1cc(OC)no1 2055708070 CYHDLDCWGLFMLB-SNVBAGLBSA-N 332.360 1.189 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)Nc1ccc2c(c1)OCCO2 4046759 GSJCNHMQGXSDTL-NSHDSACASA-N 340.401 1.874 0 40 EDAB biogenic O=C1NC2(CCCCC2)C(=O)N1Cc1nc(-c2ccccn2)no1 76421999 ZQSVZVHPWINJRJ-UHFFFAOYSA-N 327.344 1.886 0 40 EDAB O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2cccnc2)CC1 40074483 JLHZSQOVIPMVEN-UHFFFAOYSA-N 349.387 1.367 0 40 EDAB O=C1NC(=S)N/C1=C/c1ccccc1I 185684 JBLVZHZETVWHBK-VMPITWQZSA-N 330.150 1.636 0 40 EDAB Cc1cc2ncn(C[C@H](O)CN3CCC(C(N)=O)CC3)c2cc1C 51090203 VKLPRASBFRYYLT-OAHLLOKOSA-N 330.432 1.211 0 40 EDAB COc1c(C)cnc(CNC(=O)NCCN2CCCCCC2=O)c1C 51333959 KRRJOXXHCHPRLJ-UHFFFAOYSA-N 348.447 1.909 0 40 EDAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCCNc1cnccn1 46018598 CORMMKDJPSKDSX-AWEZNQCLSA-N 339.399 1.596 0 40 EDAB COCCCNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 29540990 ZOXUKBCJSGVMSP-KGLIPLIRSA-N 340.420 1.121 0 40 EDAB Cc1nc([C@H](C)NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)no1 89718095 JGXUMBLJTZEHJO-NHYWBVRUSA-N 348.378 1.768 0 40 EDAB C[C@@H](C(=O)Nc1nccs1)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69628079 TWLGXWNFJOMDFZ-QWHCGFSZSA-N 340.493 1.495 0 40 EDAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1n[nH]c(=O)[nH]c1=O 8578885 NCVQSAHEYFICTM-GMTAPVOTSA-N 341.433 1.554 0 40 EDAB Cc1cnc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cn1 21740052 XGWVDMZGJRRFQL-UHFFFAOYSA-N 336.277 1.777 0 40 EDAB CC(=O)N[C@@H](C(=O)NCc1ccccc1Cn1cncn1)C(C)C 46652934 ZAMVSUAXRZMCJN-MRXNPFEDSA-N 329.404 1.103 0 40 EDAB Cc1nc(CN2C[C@H](C(=O)NCc3cccnc3)[C@H]3OCC[C@H]32)c[nH]1 108528199 VXAUHYBTKSPLMG-GVDBMIGSSA-N 341.415 1.019 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@H]2c2ccccc2)C1=O 53081285 VDBLLEVPHCSURL-KSSFIOAISA-N 327.384 1.681 0 40 EDAB C[C@H]1CCCN(c2nnc(SCC(N)=O)n2Cc2ccco2)C1 12160682 XGGGXYKOAXVVEL-NSHDSACASA-N 335.433 1.733 0 40 EDAB Cc1nc(NCCNC(=O)c2cccc(F)c2)cc(-n2cccn2)n1 23144359 FAOYULHNYNHSIA-UHFFFAOYSA-N 340.362 1.952 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)NC[C@H]1CCCc2ccccc21 69742612 UGRMESHFUKWFPI-CVEARBPZSA-N 339.443 1.419 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)c3cncc(C)c3)CC2)C1=O 108533178 NTYMTUONWKAFLE-IBGZPJMESA-N 345.443 1.881 0 40 EDAB CC(C)CN1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)CC1 47045691 IWBWXACKKOFIJO-UHFFFAOYSA-N 327.428 1.871 0 40 EDAB Cc1cc(=O)c(O)c(CN2CCN(Cc3c(C)noc3C)CC2)o1 71282237 RMFMDKUFIJHFMZ-UHFFFAOYSA-N 333.388 1.576 0 40 EDAB COc1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)cc1 2972974 SELMRPLCOGDCOC-UHFFFAOYSA-N 337.335 1.787 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2cccnc2N2CCOCC2)no1 23703115 WSXCDOFWHQBBSH-UHFFFAOYSA-N 346.343 1.010 0 40 EDAB NC(=O)N[C@@H](CC(=O)N[C@@H](C(N)=O)c1ccccc1)c1ccccc1 54704529 XBTVGUKAADGLNW-GOEBONIOSA-N 340.383 1.129 0 40 EDAB CNC(=O)C1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 106019295 DLYVYNUZFCXNHW-INIZCTEOSA-N 329.444 1.684 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 12527870 PBQRDZDDYQBMRK-UHFFFAOYSA-N 341.386 1.904 0 40 EDAB CCN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1cccs1 24740828 ABMCUYRXTUOGOR-UHFFFAOYSA-N 348.428 1.220 0 40 EDAB O=C1Nc2ncccc2O[C@@H]1CCN1CCN(c2ccccc2)CC1 1395267 SLKFPBRHJBZLFQ-QGZVFWFLSA-N 338.411 1.993 0 40 EDAB Cn1cncc1CN1CC[C@@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 108535125 RWDMDNRVQBUTET-HOTGVXAUSA-N 346.456 1.597 0 40 EDAB CCN1CCCC[C@H]1CNC(=O)N(CC)[C@H](C)CS(C)(=O)=O 107049918 QNQFTZKYIDWHSS-KGLIPLIRSA-N 333.498 1.325 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 25436711 ZQTDDIJKSZWZRW-CMPLNLGQSA-N 344.458 1.041 0 40 EDAB O=C(Nc1cn[nH]c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 107218722 KPKKKUWQRUBLOQ-AWEZNQCLSA-N 348.428 1.590 0 40 EDAB CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1)C(C)C 25918834 OOOVFSBZVLLUOU-SUMWQHHRSA-N 343.431 1.947 0 40 EDAB NC(=O)C1(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CCOCC1 57010778 QCFCYJSXRJZDOR-GHMZBOCLSA-N 336.354 1.753 0 40 EDAB Cc1cc(C)n(CCCNC(=O)C2CCN(C(=O)C3CC3)CC2)n1 27508133 OWFVSQTWGXGKND-UHFFFAOYSA-N 332.448 1.655 0 40 EDAB COc1cccc(CC(=O)N2CCN(C(=O)[C@@H](C)SC)CC2)c1 58215857 FTSJXFNZHQSLTQ-CYBMUJFWSA-N 336.457 1.660 0 40 EDAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)c[nH]1 58244470 FXLDZWDQVJCTMA-UHFFFAOYSA-N 328.277 1.351 0 40 EDAB CCn1cc(NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)cn1 44937059 SOWOCMQXHWCWLN-ZDUSSCGKSA-N 344.419 1.845 0 40 EDAB Cc1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1C 12618832 UBBAVXAWCBEIKU-UHFFFAOYSA-N 325.372 1.776 0 40 EDAB CNC(=O)COc1ccc(CNCc2c(C)nn(C)c2OC)cc1 58421778 XARBQSVHINYUCE-UHFFFAOYSA-N 332.404 1.152 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2ccccc2F)c1 58637790 ROONLZQBAKTSLY-UHFFFAOYSA-N 332.379 1.998 0 40 EDAB CC(=O)NC1(C(=O)N2CCN(Cc3ccccn3)CC2)CCCCC1 69349631 OLIZBEQYJFLXTJ-UHFFFAOYSA-N 344.459 1.565 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cc(=O)n3ccsc3n1)C2=O 3464713 NFFHQVYMTDFETG-QLJPJBMISA-N 346.412 1.757 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCC(C)C)C2=O)cc1 3461161 MGNOVRGEPOSOFA-GOSISDBHSA-N 331.416 1.924 0 40 EDAB CCCCn1c(N)c(N(CC)C(=O)c2c(C)noc2C)c(=O)[nH]c1=O 8344074 GUKLRDCLJHZIMR-UHFFFAOYSA-N 349.391 1.190 0 40 EDAB CCOc1ccccc1NC(=O)C(=O)N1CCCN(C(C)C)CC1 69439784 LWEZFRADNQHGKG-UHFFFAOYSA-N 333.432 1.967 0 40 EDAB COc1ccc(CN2CCN(C[C@@H](C)O)CC2)cc1Br 69842478 MWBVAHRLISUFDY-GFCCVEGCSA-N 343.265 1.956 0 40 EDAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C)cc1S(N)(=O)=O 63500986 DEWQXCDHWITYBW-MRXNPFEDSA-N 347.440 1.884 0 40 EDAB O=C(CSc1nc2ccccc2s1)N[C@@H]1CCS(=O)(=O)C1 5034793 IDCZTSCSLNTRPA-SECBINFHSA-N 342.467 1.692 0 40 EDAB C[C@H]1CCCCN1C(=O)CSc1nnnn1C1CCOCC1 69586993 BVMIKYYEMGTOSA-NSHDSACASA-N 325.438 1.518 0 40 EDAB C[C@H](NC(=O)NCc1ccc(CS(N)(=O)=O)cc1)c1ccncc1 65453688 ORVLXNNIDFYSLR-LBPRGKRZSA-N 348.428 1.431 0 40 EDAB CCOC(=O)[C@H](C)N1CCN(CCN(C)Cc2ccccc2)CC1 65479529 BAOCFVUUDJFYLL-KRWDZBQOSA-N 333.476 1.688 0 40 EDAB CN1CCc2ncnc(N3CCN(C(=O)c4ccoc4)CC3)c2C1 65474266 ZFNDEGNZJVLPQT-UHFFFAOYSA-N 327.388 1.020 0 40 EDAB C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)NC(=O)NC1CCCC1 14093637 WSKBNIDQFXGMFV-SECBINFHSA-N 340.453 1.677 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1S(=O)(=O)N1CCOCC1 14093358 JOXVHPDJPHKVLX-TZMCWYRMSA-N 338.429 1.610 0 40 EDAB CN(C)CCN(CCN(C)C)S(=O)(=O)c1cccc(F)c1F 65534395 VKPBYXXFBMPBDF-UHFFFAOYSA-N 335.420 1.079 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)Nc1ccc(F)c(F)c1 65519231 KBJPNHIYCWLUER-UHFFFAOYSA-N 347.325 1.986 0 40 EDAB Cc1cccn2cc(CC(=O)NCc3nnc4n3CCCCC4)nc12 65624853 HYTCWHUZCNVOTF-UHFFFAOYSA-N 338.415 1.820 0 40 EDAB O=C(Nc1cc[nH]n1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 66052014 FKPBLLARMLBVFL-UHFFFAOYSA-N 348.428 1.590 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCN(C(N)=O)C2)c(C)cc1Br 92331915 BFUMLHMNHQJNSW-JTQLQIEISA-N 340.221 1.949 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3ccc[nH]3)CC2)C1 66420946 MRSVDGDFHZEXLM-CABCVRRESA-N 332.448 1.467 0 40 EDAB CCN(CC)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 4995461 DWCNBHQEUPVLBU-UHFFFAOYSA-N 344.433 1.338 0 40 EDAB CC(C)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)n[nH]1 67315291 OHRKCFGTSNNKEO-MRXNPFEDSA-N 328.416 1.962 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C)c1C 7131251 AWVYNHDLQRLCMY-NSHDSACASA-N 337.376 1.614 0 40 EDAB O=C(COc1nnc2ccccn12)Nc1ccc2c(c1)OCCCO2 15572211 YTRILYHELXFCJF-UHFFFAOYSA-N 340.339 1.908 0 40 EDAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)OC 7246952 PRTKVBPDLNUVHN-QMTHXVAHSA-N 327.402 1.755 0 40 EDAB Cc1ccccc1S(=O)(=O)NC[C@@H]1CCN(Cc2cnn(C)c2)C1 67604289 LRGHQMHFRWQPOW-HNNXBMFYSA-N 348.472 1.529 0 40 EDAB CNC(=O)CN1CCC(NC(=O)[C@H](C)Cc2cccc(F)c2)CC1 68789213 SGVFKFUOQWVWRQ-CYBMUJFWSA-N 335.423 1.331 0 40 EDAB NC(=O)c1ccccc1NC(=O)c1c(O)nc2c(c1O)CCCC2 9300552 GJCQBVFZQYBWIR-UHFFFAOYSA-N 327.340 1.723 0 40 EDAB CCN1C(=S)N(c2ccc(F)cc2F)[C@@H]2CS(=O)(=O)C[C@H]21 9420652 AXANPUGMFMSGEH-VXGBXAGGSA-N 332.397 1.557 0 40 EDAB O=C(NC1CCN(C(=O)/C=C/c2cccnc2)CC1)c1cccnc1 71831467 JFVMRZSVFHYQII-AATRIKPKSA-N 336.395 1.911 0 40 EDAB O=C([C@@H]1CCCN1C(=O)c1nccc2ccccc12)N1CCOCC1 71893217 AKVNVANVXYMTLB-INIZCTEOSA-N 339.395 1.698 0 40 EDAB O=C([C@H]1CCCN1C(=O)COCc1ccccc1)N1CCSCC1 71898273 DPTDKPOEWMCYPF-MRXNPFEDSA-N 348.468 1.770 0 40 EDAB C[C@@H]([C@@H](C)NCC(=O)NCCOc1ccc(F)cc1)n1cccn1 72269700 PBJCNKKFBPFDDS-KGLIPLIRSA-N 334.395 1.757 0 40 EDAB COCCn1cnc2ccc(I)cc2c1=O 71905193 UKCDWDDZOHYHMG-UHFFFAOYSA-N 330.125 1.648 0 40 EDAB CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)CC)C2)c(C(N)=O)c1 71915302 PLHKWCGOWFTKLG-LBPRGKRZSA-N 347.415 1.771 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cnc(C(C)(C)C)s2)C1 97051759 PFPYGZGBRLBNOD-GFCCVEGCSA-N 331.507 1.954 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1ccc(-n3cccn3)nc1)CC2 97199006 UUDXVBNUFLZCCZ-ZDUSSCGKSA-N 337.387 1.166 0 40 EDAB O=C(OCc1ccno1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 72301278 MVRZCCFORPRIAX-NSHDSACASA-N 344.323 1.542 0 40 EDAB COc1ncccc1NC(=O)N1CCN(c2nc(C)ns2)CC1 72311226 YZNODISZHCIWCX-UHFFFAOYSA-N 334.405 1.604 0 40 EDAB CC(C)[C@H](NC(=O)[C@@H]1CNC(=O)N1)c1nc(-c2ccccc2)no1 89801869 GEMUYGIBRQHGHB-RYUDHWBXSA-N 329.360 1.231 0 40 EDAB Cn1ccc(NC(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)n1 84321632 RWJAXQXJRRJOCR-JKSUJKDBSA-N 341.415 1.537 0 40 EDAB CC(=O)N[C@H](C)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 72576343 QBGRTUOIEJQECX-LLVKDONJSA-N 341.814 1.648 0 40 EDAB C[C@H](Cc1ccccc1Br)NC(=O)[C@@H]1CC(=O)N(C)C1 84640760 DVRVOUGCCQVSHD-ZYHUDNBSSA-N 339.233 1.975 0 40 EDAB COC(=O)[C@@]1(C)CCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 89919458 CLIZCYAUFXMEQB-SFHVURJKSA-N 327.384 1.957 0 40 EDAB CC[C@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@H]1N1CCOCC1 84735973 KSDNLWNUOSUOEJ-LSDHHAIUSA-N 343.431 1.221 0 40 EDAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C(N)=O)c1ccc(F)cc1 84736220 FFLKEWUWNJPPPO-DQYPLSBCSA-N 347.434 1.979 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCNCC(F)(F)F)C2)n1 75604457 OKUZAWQCJDXBAI-LBPRGKRZSA-N 333.358 1.600 0 40 EDAB COCC(=O)N[C@H](C(=O)N[C@H]1C[C@H]1c1ccc(F)cc1F)C(C)C 95400441 AUQQSELRCPQYFY-NOLJZWGESA-N 340.370 1.724 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](Cn2nnnc2/C=C/c2ccccc2)C1 95425996 SXCFHTICUZGODU-BOLDSZDNSA-N 347.444 1.515 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)CC(=O)c1ccccc1 95442349 SMLRHNZKEYNYDY-NSHDSACASA-N 335.429 1.977 0 40 EDAB CCN1CCN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1 22585852 UBQKKSHJVHJOAL-UHFFFAOYSA-N 333.388 1.194 0 40 EDAB Cc1nc(S(=O)(=O)Cc2nccn2C)n(C[C@@H]2CCCO2)c1C 95412157 IJBFUJHTNVBERD-ZDUSSCGKSA-N 338.433 1.386 0 40 EDAB CNC(=O)Cn1cnc(NC(=O)c2ccc(C(F)(F)F)cc2)n1 76041238 QIXBGOQGIDFMPE-UHFFFAOYSA-N 327.266 1.295 0 40 EDAB C[C@H](NC(=O)C[S@](=O)[C@@H](C)c1c(F)cccc1F)C(=O)N(C)C 95966728 UDQJGPUIJZTTQK-GUSLXAGDSA-N 346.399 1.367 0 40 EDAB COC(=O)[C@@H]1CN(Cc2cnn(Cc3ccccc3)c2)C[C@@H](C)O1 95975547 UUMNMUYRVSMOKS-PBHICJAKSA-N 329.400 1.694 0 40 EDAB CC(C)CC(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961309 WKSDRZDSSZLGBH-MRXNPFEDSA-N 347.463 1.106 0 40 EDAB CN1CCN(C(=O)Nc2ccc(=O)n(C)c2)[C@H](c2ccccc2)C1 95955686 DITAEWLKDBOOQA-INIZCTEOSA-N 326.400 1.906 0 40 EDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCC)c(Cl)c1 408617849 DPLTVCBEHOLKAI-UHFFFAOYSA-N 348.852 1.933 0 40 EDAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccoc1 551995862 VISPLOLGYSTJFR-CQSZACIVSA-N 334.353 1.735 0 40 EDAB COC[C@@H](C)NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 408616035 VAZOEGJPPLOETC-CYBMUJFWSA-N 328.434 1.221 0 40 EDAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2[C@H]3CC[C@@H]2COC3)cc1 75166535 ZYGOKBUOOLOFAM-GASCZTMLSA-N 337.441 1.801 0 40 EDAB Cc1ccc2nc(NC(=O)CN3C(=O)NC(C)(C)C3=O)sc2c1 60386883 PXIWRCSXVJIXBA-UHFFFAOYSA-N 332.385 1.874 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@H]2COc3ccccc3O2)C1 79440260 OKNUGRTXJGTXBD-IUODEOHRSA-N 348.399 1.952 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2ncon2)c1 73084332 LZEUHTMRFQZJTD-HNNXBMFYSA-N 336.351 1.563 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1cncc(CN)n1 72387939 DZIXINTXUOKJNP-CYBMUJFWSA-N 337.405 1.066 0 40 EDAB C[C@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1 70639757 PVHBLRLESIIRRV-SFHVURJKSA-N 330.359 1.466 0 40 EDAB CCC(CC)C(=O)NCCn1nc([C@@H]2CCN(C)C2)c2nccnc21 72391642 GWUXBLJFMXQTBT-CQSZACIVSA-N 344.463 1.798 0 40 EDAB Cc1c[nH]c(=O)n1-c1ccccc1NS(=O)(=O)c1cncc(F)c1 76195114 WGLRTAPQYUWYHZ-UHFFFAOYSA-N 348.359 1.809 0 40 EDAB Cc1ncsc1CNC(=O)c1ccnc(N2CCN(C)CC2)c1 79001269 RNPKTHNRZITHMB-UHFFFAOYSA-N 331.445 1.528 0 40 EDAB O=C(OCC(=O)N1CCc2ccccc21)c1cc2c([nH]c1=O)CCC2 61448654 LYRNATYHXFDCMW-UHFFFAOYSA-N 338.363 1.610 0 40 EDAB CCc1ccccc1NC(=O)[C@H](CC)Sc1nnc(O)[nH]c1=O 41606188 ZYSNICKQHMRSFD-NSHDSACASA-N 334.401 1.942 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2cccs2)cc1 74558960 ACNSUGTTWVEAIK-ZDUSSCGKSA-N 340.426 1.718 0 40 EDAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1cccc(-n3cccn3)c1)CC2 225787644 MYVWQHGYQVPDAD-HNNXBMFYSA-N 349.394 1.253 0 40 EDAB COc1ccc(CCS(=O)(=O)NCCn2nc(C)cc2C)cc1 44159262 MWNDLDBWPCQMFP-UHFFFAOYSA-N 337.445 1.671 0 40 EDAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCc3ccncc3)cc2)o1 44892163 JDMJHFBSMBUXCF-UHFFFAOYSA-N 337.339 1.695 0 40 EDAB CN(c1ccc(CC(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 225976400 AXBGUAYHXRPWHJ-UHFFFAOYSA-N 346.452 1.984 0 40 EDAB CN1CC2(CCN(S(=O)(=O)N(C)C)CC2)C[C@@H]1COCC1CC1 96207877 BVOHDPJCHBKYRC-OAHLLOKOSA-N 345.509 1.006 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2c(CC)nn(C)c2CC)C1 97235600 GUBLUHWLJZIGAQ-GFCCVEGCSA-N 328.482 1.059 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1 96181771 NYBLCEBJJZSWRO-BPUTZDHNSA-N 336.363 1.019 0 40 EDAB CCCS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2ccco2)C1 96075023 SBDOBIGJFWVDHN-UKRRQHHQSA-N 326.418 1.348 0 40 EDAB CCc1c(Br)n2c(Br)c(C)c(=O)n2c1=O 95627366 KTKCAMQYVGICKS-UHFFFAOYSA-N 335.983 1.593 0 40 EDAB CCC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCC1CC1)Cn1ccnc12 96243613 DETIYPJLTGJQOD-CQSZACIVSA-N 346.431 1.036 0 40 EDAB C[C@](O)(CNc1cncc(Br)c1)CN1CCOCC1 96483041 ORJCCKDLWKNBID-ZDUSSCGKSA-N 330.226 1.339 0 40 EDAB c1cnc(N2CC[C@]3(COCc4cnc(NCC5CC5)nc43)C2)nc1 96244074 DPSPAHCJSAXLQZ-GOSISDBHSA-N 338.415 1.767 0 40 EDAB CCC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)C1 333465970 MTRNWHABRXULLV-UHFFFAOYSA-N 333.413 1.744 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)n1nnc2ccccc2c1=O 95473408 PDQSEJXXAHPRDY-SMDDNHRTSA-N 346.387 1.056 0 40 EDAB Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(C(=O)C(C)C)C2)C1 96226136 NEVURCUASLUHLU-QGZVFWFLSA-N 330.388 1.732 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CC[C@H](O)[C@@H]1Cc1cccnc1 96200462 ORCRQRMLYTVWQM-HOTGVXAUSA-N 336.388 1.587 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96209586 AHAGRAOAZILBLG-MRXNPFEDSA-N 333.432 1.310 0 40 EDAB C[C@](O)(CNC(=O)NCCc1nnc2n1CCC2)c1ccc(F)cc1 95443427 DAAARHPVLDKDPV-KRWDZBQOSA-N 347.394 1.113 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238787 VDCSSJQJTCWVRD-HNNXBMFYSA-N 326.393 1.604 0 40 EDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccccn1 96060568 ZEGVFNFWVKFKHI-OAHLLOKOSA-N 327.388 1.469 0 40 EDAB Cc1ccc(N2C[C@@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)nn1 96108140 WMCJSORWZSWDNN-GOEBONIOSA-N 345.472 1.887 0 40 EDAB O[C@H](CNCCN1CCOCC1)CO[C@H]1CCCc2ccccc21 96121166 JQLAFNNWVHJEGS-MJGOQNOKSA-N 334.460 1.363 0 40 EDAB Cc1nccn1CCCCNS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 96428250 SEZVIYNJFUNODR-ZIAGYGMSSA-N 328.482 1.784 0 40 EDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)CCC(F)(F)Cl)CC2 583651540 ODKVDTAOGMLJAB-VIFPVBQESA-N 345.795 1.813 0 40 EDAB COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)c1ccc(F)c(Cl)c1 583616390 MUWZFSGNVWCPMV-VHSXEESVSA-N 337.800 1.904 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 96041688 UCCGHSHTPINELS-ARFHVFGLSA-N 326.356 1.323 0 40 EDAB COc1ccc(NC(=O)CCN2C(=O)c3cccnc3C2=O)cn1 95472504 BSBLTLUBWRPQAK-UHFFFAOYSA-N 326.312 1.110 0 40 EDAB COc1ncccc1CN1Cc2ncn(C)c2[C@H](C(=O)N(C)C)C1 248037529 VBIIYYNTDXPUQE-CYBMUJFWSA-N 329.404 1.011 0 40 EDAB Cc1cc(CN2CC3(C2)[C@H](COCC2CC2)CCS3(=O)=O)no1 247894332 GRRWYFJVHCMKHY-AWEZNQCLSA-N 340.445 1.399 0 40 EDAB CC(=O)N1CCC(c2nccnc2CNC(=O)C2CCOCC2)CC1 257320846 VYVFKGGNFOABLZ-UHFFFAOYSA-N 346.431 1.245 0 40 EDAB Cc1cc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)nc(C)n1 257210896 BWPMXUAHAVPMBO-MRXNPFEDSA-N 341.415 1.909 0 40 EDAB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 251063944 WDXHIPJRNGZMKX-WRFANHODSA-N 338.363 1.635 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CCCN2C2CCN(C(C)=O)CC2)n1 257293104 QOCPVYXRZWEHJA-QGZVFWFLSA-N 345.447 1.261 0 40 EDAB C[C@H](C(=O)N1CCOCC1)N1CCN(CCSC(C)(C)C)CC1 252501326 UECXJXRVRNVEJB-OAHLLOKOSA-N 343.537 1.383 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2c(C)n(C)c3ccccc23)C1 257224107 FAIRAQRXDMFRKE-CQSZACIVSA-N 342.443 1.237 0 40 EDAB CO[C@H](C)CS(=O)(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1 585137997 HACODDOFHLGRGU-GFCCVEGCSA-N 344.481 1.547 0 40 EDAB CNS(=O)(=O)Cc1nc(O)c2c3c(sc2n1)CCCCC3 585137275 QBTSFLRZUWHQAT-UHFFFAOYSA-N 327.431 1.715 0 40 EDAB Cc1ccccc1C(=O)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257245757 IQYZFPZZUZAHFX-HNNXBMFYSA-N 327.384 1.964 0 40 EDAB Cn1cncc1-c1cncc(C2CCN(C(=O)c3cncnc3)CC2)n1 257337994 YVIXSWWXVICNRH-UHFFFAOYSA-N 349.398 1.687 0 40 EDAB CCCS(=O)(=O)N1CCN(C(C)=O)C[C@H]1c1ccccc1OC 257263611 LQTAFGRCACVTCA-HNNXBMFYSA-N 340.445 1.640 0 40 EDAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@H]2CCN(C(=O)CO)C2)n1 257315921 VDGRNAYGMANOJE-LBPRGKRZSA-N 347.444 1.910 0 40 EDAB Cc1ccccc1[C@H]1CCCN1C(=O)Cn1ncn2nccc2c1=O 602101084 UNRQWFICWLWPBY-OAHLLOKOSA-N 337.383 1.563 0 40 EDAB C[C@@H]1CCC[C@@]1(NS(=O)(=O)c1ccc(C(=O)O)c(F)c1)C(=O)O 1615588019 NJVRFDJBHBPWFO-CLAHSXSESA-N 345.348 1.446 0 40 EDAB O=C(Cc1cccs1)N[C@H]1CCN(c2nccn3cnnc23)C1 575605168 AIRBIQSVZAFRLD-NSHDSACASA-N 328.401 1.123 0 40 EDAB O=C(Cc1ccncc1)N1CCO[C@](CO)(Cc2ccccc2)C1 585275957 BSCQUCBHUKSSBK-LJQANCHMSA-N 326.396 1.457 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)c2cc(Cl)ccc2Cl)[C@@H]1O 585285010 LGZKBEPRAKGNLQ-WQHBLYJGSA-N 334.199 1.746 0 40 EDAB O=C(CCN1CC[C@H](c2cc(O)nc(O)n2)C1)Nc1cccc(F)c1 585140670 IAKGPNGXOPNXHB-NSHDSACASA-N 346.362 1.845 0 40 EDAB COc1ccc2[nH]cc(C(=O)N3C[C@H](CC(N)=O)[C@@H](OC)C3)c2c1 585276489 ARHQNYGHZSJILA-BONVTDFDSA-N 331.372 1.139 0 40 EDAB COCc1nnc2n1CCN(C(=O)Cc1ccccc1F)[C@@H](C)C2 585098742 YRBAFTAUIZCLKN-LBPRGKRZSA-N 332.379 1.580 0 40 EDAB CNc1cnc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2F)nc1 585276891 PQPFFQMDQWJKCJ-HOTGVXAUSA-N 344.390 1.866 0 40 EDAB CO[C@]1(CCC(=O)N(C)Cc2nonc2C)CCCN(C(C)=O)C1 585281150 UEQOFPNBOGIKCW-INIZCTEOSA-N 338.408 1.144 0 40 EDAB CCOCC(=O)N1CCc2ncc(-c3cnn(CC4CC4)c3)n2CC1 585111678 ZVFYRGCGKLMXFE-UHFFFAOYSA-N 343.431 1.578 0 40 EDAB CCN1CCN(C(=O)[C@@H](C)N2CCC[C@H](c3nc(C)no3)C2)CC1 52861571 PTTHXCFVDTVUIC-HIFRSBDPSA-N 335.452 1.110 0 40 EDAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 55231825 VUYJXSQZTRENKN-OAHLLOKOSA-N 332.400 1.406 0 40 EDAB CN1C[C@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1=O 67361415 RXUVWKSWRNRYSH-IAGOWNOFSA-N 329.444 1.493 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cnn(C(C)(C)C)c1 69457861 GGROEQZNFUAMRC-UHFFFAOYSA-N 342.403 1.772 0 40 EDAB O=C(CN1CCN(CCSc2ccccc2)CC1)N1CCOCC1 69697362 BFLRICMUBGLOFF-UHFFFAOYSA-N 349.500 1.255 0 40 EDAB O=C(CN1CCC[C@H]1CN1CCCCC1)NC1CCN(C2CC2)CC1 69607800 GSGFJBIHDLCEPJ-IBGZPJMESA-N 348.535 1.680 0 40 EDAB CCc1nnc(NC(=O)CN(CCOC)C(=O)OC(C)(C)C)s1 69982701 QTFDTWIKELONBG-UHFFFAOYSA-N 344.437 1.923 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@@H]1c1cccc(F)c1 71819357 ORTFGFNPDFZMOM-OAHLLOKOSA-N 340.420 1.220 0 40 EDAB CC(=O)NCCCNS(=O)(=O)c1ccc(Br)cc1C 133254467 QIYHNYZWLIUPFT-UHFFFAOYSA-N 349.250 1.562 0 40 EDAB COc1ccccc1N1CCN(c2cc(-n3ccnc3)ncn2)CC1 77210258 MOVIUQBBFUISTA-UHFFFAOYSA-N 336.399 1.998 0 40 EDAB N[C@@]12CCC[C@H]1CN(C(=O)c1cccn(CC(F)(F)F)c1=O)C2 1580158601 UOOUJEJIEMCMFM-IINYFYTJSA-N 329.322 1.364 0 40 EDAB Cc1c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)nnn1-c1ccccc1 556464911 XILLRONCQHTOIJ-PBHICJAKSA-N 339.399 1.363 0 40 EDAB CCS(=O)(=O)NCCNCc1ccc(Br)cc1C 95413081 KEMBMIPBQHTJDT-UHFFFAOYSA-N 335.267 1.786 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(c2cc(C)c(Br)cn2)C1 97229957 ADHUWCCTLHCKGJ-SECBINFHSA-N 334.239 1.280 0 40 EDAB COCC(=O)N1CCC(NC[C@@H](O)c2ccc(Cl)c(F)c2)CC1 1615045572 IMFSKZAADIATFL-OAHLLOKOSA-N 344.814 1.740 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)c3cccc(O)n3)C2)c1 1615143389 FVTCSIZFOAQVBZ-GOSISDBHSA-N 328.368 1.752 0 40 EDAB COc1cc([C@H](C)NC(=O)c2cccnc2)ccc1S(C)(=O)=O 1615615198 LSCWUWZJAKTULA-NSHDSACASA-N 334.397 1.985 0 40 EDAB Cc1oc(C(=O)N2CCCC[C@@]23CCOC3)cc1S(C)(=O)=O 1615616096 VQHZINNWRKNWDP-HNNXBMFYSA-N 327.402 1.777 0 40 EDAB CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)S(=O)(=O)O 3117185 OBMIKLNMRLKNQU-VIFPVBQESA-N 330.189 1.468 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2nc3n(C)c4ccccc4n3c2=O)C1 12117775 RKXKNSAPDGGCFG-CHWSQXEVSA-N 341.415 1.492 0 40 EDAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)NC3CCCC3)n2)c(C)o1 12146780 QZJJEORXDKJEEK-UHFFFAOYSA-N 330.388 1.761 0 40 EDAB O=C(COc1ccc2c(c1)OCO2)N1CCN(c2nccs2)CC1 19346250 XQYKRAYPFYTIGA-UHFFFAOYSA-N 347.396 1.599 0 40 EDAB COc1ccc(CC(=O)N2CCn3nc4c(c3C2)CCC4)cc1OC 253472158 JVRGVKUGFZNMAB-UHFFFAOYSA-N 341.411 1.974 0 40 EDAB O=C([C@@H]1CCCN(c2nccn(C3CC3)c2=O)C1)N1CCSCC1 1889099064 HTWPRCYHIDSVPB-CYBMUJFWSA-N 348.472 1.370 0 40 EDAB CC(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2F)n1 1775963900 IQVZNRNASVYQGD-ZDUSSCGKSA-N 332.335 1.709 0 40 EDAB biogenic,in-vitro O=C(NCC1CC1)[C@@H]1C[C@H]2CN(C(=O)/C=C/c3cccs3)C[C@H]1O2 1565553652 HAGXJYXYAODZJC-JPNNEFBZSA-N 346.452 1.903 0 40 EDAB Cn1cnc(C(=O)N2CCc3c(COCC4CC4)cncc3C2)n1 1565550163 RZWCMMMNCNBANA-UHFFFAOYSA-N 327.388 1.335 0 40 EDAB CC(C)N(C)CC(=O)N1CCc2ncnc(-c3ccncc3)c2C1 1565555638 FFFRAKQQIJITIZ-UHFFFAOYSA-N 325.416 1.764 0 40 EDAB COc1ccccc1OCC(=O)N1CCCN([C@@H]2CCOC2)CC1 1565521904 DRCRPKCGCKTTBE-OAHLLOKOSA-N 334.416 1.397 0 40 EDAB COc1cccc(NC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)c1 424205 BSUSQKGKUVTKDD-UHFFFAOYSA-N 339.351 1.727 0 40 EDAB CCCn1c(=O)c2c(nc3n(Cc4ccco4)c(C)cn23)n(C)c1=O 4250716 ROAOIRULCCXTHP-UHFFFAOYSA-N 341.371 1.509 0 40 EDAB Cc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c(C)c1 5000082 MFAWDCBTVLYHAY-UHFFFAOYSA-N 337.379 1.956 0 40 EDAB COCCCn1cc2c(c1-c1ccc(F)cc1)c(=O)n(C)c(=O)n2C 12409379 VDJXHMXXXQNZIF-UHFFFAOYSA-N 345.374 1.881 0 40 EDAB CCCNC(=O)CCn1c(=S)[nH]c2cc(C(=O)OC)ccc2c1=O 12415865 AOBHMSWWHTWFCM-UHFFFAOYSA-N 349.412 1.762 0 40 EDAB Cc1cccnc1CN[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055731809 ZMTRIXGNBISPCI-HUUCEWRRSA-N 342.443 1.592 0 40 EDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(CC3CCCCC3)CC2)O1 2055794408 UCPYCMFCCAEOIP-MRXNPFEDSA-N 346.475 1.899 0 40 EDAB CCOC(=O)c1cc(CNC2(CN3CCOCC3)CCCC2)on1 22917616 JYHUPSNNLVOGKU-UHFFFAOYSA-N 337.420 1.586 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCC2)c1 225594549 SPOPUAJRNFRGFV-LBPRGKRZSA-N 326.447 1.207 0 40 EDAB O=C(Cn1ncccc1=O)N1CCc2cc(-c3ccncc3)ccc21 225639562 GINCAMIHUQLDOM-UHFFFAOYSA-N 332.363 1.895 0 40 EDAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@H](N2C(=O)COC2=O)C1 225699996 HRUFIYQVTIZVTN-LLVKDONJSA-N 342.273 1.899 0 40 EDAB O=S(=O)(NC[C@]1(O)C=CCCC1)c1ccc(-n2cccn2)cc1 618256706 LBDRSTLZSDVPTL-INIZCTEOSA-N 333.413 1.622 0 40 EDAB CSc1ccccc1NC(=O)C(=O)NC[C@](C)(O)c1ccco1 75156280 HESFEADPPLJJNT-INIZCTEOSA-N 334.397 1.964 0 40 EDAB COc1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)cc1 40161392 MJCJCOJIXFHMNC-UHFFFAOYSA-N 349.408 1.987 0 40 EDAB COc1cc(OC)c(OC)cc1CNCCN1C[C@H](C)O[C@H](C)C1 30663216 WXHJIITUFJCMLR-OKILXGFUSA-N 338.448 1.911 0 40 EDAB C[C@H](CO)NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 40541421 LKEVGYIFRCDPGW-SNVBAGLBSA-N 346.353 1.749 0 40 EDAB O=C1CSc2ccc(C(=O)NCCCCN3CCOCC3)cc2N1 40554165 XDQWPYMGQBSMME-UHFFFAOYSA-N 349.456 1.573 0 40 EDAB O=C(OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(CO)cc1 50500291 UHXCTJIYRXDALN-JKSUJKDBSA-N 333.384 1.506 0 40 EDAB CCN(C(=O)CN(Cc1ccco1)C1CC1)[C@@H]1CCS(=O)(=O)C1 40497722 QZXBUUPXVHYDDX-CQSZACIVSA-N 340.445 1.280 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1COc2ccccc2O1 40490410 SWCQRDANUMHRNE-MRXNPFEDSA-N 341.367 1.697 0 40 EDAB COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1COc2cc(OC)ccc2C1 50606948 AAZKOIHVJCVYLZ-ZFWWWQNUSA-N 333.384 1.800 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCc2cccc(F)c2)o1 31593796 XVEHTNJTRKLMFP-UHFFFAOYSA-N 326.349 1.299 0 40 EDAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2cccnc2=O)c1 31782545 JFWXFCNZDGXODC-HNNXBMFYSA-N 343.383 1.624 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20548224 DNCWQCRISIYZFL-WGOPCLHBSA-N 327.384 1.227 0 40 EDAB CN(C)C(=O)c1cccc(CN2CCN(C[C@H](O)C(C)(C)C)CC2)c1 69627605 MCEKZUVIYWYSNX-SFHVURJKSA-N 347.503 1.913 0 40 EDAB CCOCCN1CCN(CC(=O)Nc2cc(C)nn2C)C[C@@H]1CC 69698096 SGZIDHBATZMKCP-HNNXBMFYSA-N 337.468 1.100 0 40 EDAB COc1ccc2nnc(CCC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)n2n1 101407924 IJINLXMCNFKLJS-RWMBFGLXSA-N 327.388 1.394 0 40 EDAB O=C(NCCN1CCCCCC1=O)c1n[nH]c(=O)c2ccccc12 32310888 QWDOEVUAYXRPQV-UHFFFAOYSA-N 328.372 1.056 0 40 EDAB Cc1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)cc1C(N)=O 32469633 IQVZRCCVUAKBRB-LBPRGKRZSA-N 338.429 1.284 0 40 EDAB COc1ccc(NS(=O)(=O)c2cccs2)cc1S(N)(=O)=O 6510477 AJEDBRCKLYGDIH-UHFFFAOYSA-N 348.427 1.205 0 40 EDAB CCNC(=O)Nc1cccc(NC(=O)NCCCN2CCOCC2)c1 69631320 CFCVVSAEUOIIQV-UHFFFAOYSA-N 349.435 1.672 0 40 EDAB CC(=O)NCc1ccc(C(=O)O[C@@H](C(N)=O)c2ccccc2)cc1 21489767 SHIVQRANXIYXSD-MRXNPFEDSA-N 326.352 1.706 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)CCOc2cccc(Br)c2)C1 41128291 LVVVCCYCMRUGSW-JTQLQIEISA-N 341.205 1.552 0 40 EDAB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O 101257722 CJDRUOGAGYHKKD-ASDZDBJMSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(F)c(F)c1F 102399774 DILRBUZYGHBJNI-RKDXNWHRSA-N 338.285 1.994 0 40 EDAB COCCN1CC2(CCN(C(=O)c3ccccc3F)CC2)CC1=O 108530519 XAPPDCUFSQTBNO-UHFFFAOYSA-N 334.391 1.927 0 40 EDAB NC(=O)C1CCN(CCCCNc2nccc(C(F)(F)F)n2)CC1 32916224 BFPYBYLEWRBMKP-UHFFFAOYSA-N 345.369 1.885 0 40 EDAB Cc1c(NC(=O)C[C@H]2C[C@H](C)OC2=O)c(=O)n(-c2ccccc2)n1C 538462 IGDNFLNDOAIBOD-WCQYABFASA-N 343.383 1.765 0 40 EDAB C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 103154524 FHJCMIABCTVYDC-DHMWGJHJSA-N 328.478 1.599 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1n[nH]c2ccccc12 8153158 DGVRWSPPKNSXIZ-UHFFFAOYSA-N 346.387 1.093 0 40 EDAB O=C1CN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)[C@H]2CCCC[C@@H]2N1 104264357 QALQAYFEUZDCQL-PMPSAXMXSA-N 342.443 1.568 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)C2CC2)C1 42468690 JFMGTQZWIGXRAQ-OAHLLOKOSA-N 344.411 1.723 0 40 EDAB O=C(CCc1nnc(-c2ccccc2)o1)N[C@H]1CCCCNC1=O 42478710 SALVIHNWOGXGDR-ZDUSSCGKSA-N 328.372 1.454 0 40 EDAB CCn1cnnc1CNC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 46964774 YXYNRGCLDCJBGO-JTQLQIEISA-N 328.376 1.353 0 40 EDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COc1ccccc1 23389373 ZDGPXNWSSUQMBI-CQSZACIVSA-N 339.395 1.795 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccnc(-n2cncn2)c1)c1cccs1 54704844 VXJQFMLTDDZUBM-ZDUSSCGKSA-N 342.428 1.757 0 40 EDAB CCN(C(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1cccc(OC)c1 42871129 NVTGVNYZUSZMCN-JSGCOSHPSA-N 340.445 1.975 0 40 EDAB CCCc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)[nH]n1 47458733 PPCPJNYUHKNGRR-UHFFFAOYSA-N 341.459 1.914 0 40 EDAB O=C(Nc1nccs1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24487848 MLRNMKNWZOSFBU-SECBINFHSA-N 331.353 1.863 0 40 EDAB COc1ccccc1N1CCN(C(=O)Cn2c(C)csc2=O)CC1 12553738 BQGJUIDOZYBZGM-UHFFFAOYSA-N 347.440 1.576 0 40 EDAB CCN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCN([C@H](C)c2ccccc2)C1 106756109 UFDJDIRQSITSHU-PVAVHDDUSA-N 329.444 1.949 0 40 EDAB O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc2c(c1)CCC2 106866276 WHWYYAANAVJILX-JKSUJKDBSA-N 336.457 1.317 0 40 EDAB O=C(Cc1ccccc1F)NCc1ccnc(N2CCOCC2)c1 25290306 FDQWDORDLSKENC-UHFFFAOYSA-N 329.375 1.916 0 40 EDAB C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1ccc(N2CCOCC2)nc1 107066005 XOYIMSCWEFLHMT-GDBMZVCRSA-N 347.463 1.722 0 40 EDAB CN1N=C(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)CCC1=O 55945109 DMBJNVJNOYZTLX-GDBMZVCRSA-N 333.363 1.770 0 40 EDAB COc1cc(N2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)ncn1 107721350 MHMUYPIVVHOCGJ-RLFYNMQTSA-N 342.399 1.833 0 40 EDAB CCOc1ccc(N2C[C@H](C(=O)NCCn3ccnc3)CC2=O)cc1 43946343 JUTFRHBYRONYKD-CQSZACIVSA-N 342.399 1.451 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3Oc4ccccc4[C@@H]3C)CCO2)n1 108086927 ZEMJYGFZAILQAG-HZUKXOBISA-N 342.399 1.832 0 40 EDAB CCN(CCNC(=O)CSc1nncn1C)c1cccc(C)c1 8229930 NBODYXOGQNQNPQ-UHFFFAOYSA-N 333.461 1.858 0 40 EDAB CC(C)N(CCCNC(=O)c1cccc(N(C)C)c1)S(C)(=O)=O 44578456 CIEFMPPGLRLANF-UHFFFAOYSA-N 341.477 1.543 0 40 EDAB COc1ccc(N[C@H](C)C(=O)N2CCOCC2)cc1N1CCCC1=O 57919541 PMBPNXOCIPKNFW-CYBMUJFWSA-N 347.415 1.481 0 40 EDAB C[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1 44891311 VTLOZDVNPQXCKT-CYBMUJFWSA-N 325.434 1.077 0 40 EDAB C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)[C@H]1CCCO1 58245431 LKIBFGFJWBUHCM-ZWNOBZJWSA-N 347.458 1.473 0 40 EDAB CCOC(=O)N1CCC(OC(=O)c2ccc(-n3cnnn3)cc2)CC1 58265314 SZOHXOZYNUDBGO-UHFFFAOYSA-N 345.359 1.440 0 40 EDAB CCN(CC)S(=O)(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 58290756 HZKXCGKMSFZTLL-AWEZNQCLSA-N 341.477 1.698 0 40 EDAB COCCCC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 58308903 HDRPSZCFDZQLTI-UHFFFAOYSA-N 348.443 1.772 0 40 EDAB CC1(C)NC(=O)N(CCSc2ncn(-c3ccccc3)n2)C1=O 28016220 XWGCMFYXBZUJKB-UHFFFAOYSA-N 331.401 1.690 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cc1 28058126 GYIIHIBDGDFYIV-NWDGAFQWSA-N 327.402 1.661 0 40 EDAB Cc1ccc(C(=O)N2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)cn1 306123758 AVYCUPQNIAULTN-ARFHVFGLSA-N 339.399 1.379 0 40 EDAB O=C(NCCCOC[C@@H]1CCCO1)NC[C@@H]1Cc2ccccc2O1 45160981 XVNBBWIBZHICGP-HOTGVXAUSA-N 334.416 1.875 0 40 EDAB COc1ccccc1[C@H](NC(=O)NC[C@@H]1CCOC1)c1nccn1C 48284399 VVNSEXTUPDDZCP-BBRMVZONSA-N 344.415 1.854 0 40 EDAB c1ccc(Cc2noc(CN3CCO[C@@H](Cn4cncn4)C3)n2)cc1 70018286 BAFXMTXWOZGKEY-OAHLLOKOSA-N 340.387 1.153 0 40 EDAB CCS(=O)(=O)CCNC(=O)c1ccc2c(c1O)OC(C)(C)C2 70005635 GMQQSZKPCLUWTC-UHFFFAOYSA-N 327.402 1.270 0 40 EDAB C[C@H](O)CN1CCC(CNCc2cn(-c3ccccc3)nn2)CC1 69371389 REUSPSFEWKRQHA-HNNXBMFYSA-N 329.448 1.450 0 40 EDAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)N1CCc2ccccc21 12949194 ZMNBPIRKDKOPAS-UHFFFAOYSA-N 333.413 1.939 0 40 EDAB COc1ccc(CN2CCn3nc(C(=O)NC4CC4)cc3C2=O)cc1 4060292 JQRQXQMBHSHZFP-UHFFFAOYSA-N 340.383 1.440 0 40 EDAB CN(C)C(=O)c1cccc(CN2CCO[C@H](Cn3cccn3)C2)c1 69436633 JRHUDVYPWQUPBN-KRWDZBQOSA-N 328.416 1.486 0 40 EDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCSCC1 13735398 IYCVJRDCVFPDLI-UHFFFAOYSA-N 345.424 1.297 0 40 EDAB CN(C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1)S(C)(=O)=O 70450306 NBVVCDNRSHTRFK-HZPDHXFCSA-N 336.457 1.673 0 40 EDAB O=C(NCCN1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 39918302 NHNKFEHEVSEMTI-CQSZACIVSA-N 333.407 1.781 0 40 EDAB O=C(CCCCCn1cnc2ccccc2c1=O)N1CCOCC1 5205681 AYUKFMAOJDUNMY-UHFFFAOYSA-N 329.400 1.816 0 40 EDAB CN1N=C(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CCC1=O 69519110 HPBVSCXTOSZBNT-QGZVFWFLSA-N 343.383 1.633 0 40 EDAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCCS(C)(=O)=O 69515011 QRHKOPUYNLRNBX-SECBINFHSA-N 339.335 1.634 0 40 EDAB CN1CC(=O)N(C[C@H](O)COc2cc(Cl)ccc2Cl)C1=O 65440206 AUWMETOPSRXQQC-VIFPVBQESA-N 333.171 1.627 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCCCn1cncn1 65423855 MQRTVUPJLZWYQC-CQSZACIVSA-N 345.403 1.540 0 40 EDAB O=C(c1cnccn1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 69538877 XCNPEMJPOUCNNG-UHFFFAOYSA-N 346.394 1.896 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)N2CCSCC2)C1 69581160 NDRWQPXIUAWLKQ-CVEARBPZSA-N 347.484 1.500 0 40 EDAB C[S@@](=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 65521669 HRISCNMQUOUAEK-WNSKOXEYSA-N 328.393 1.481 0 40 EDAB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 65584827 TXMZIHGUFRLBQG-UHFFFAOYSA-N 330.365 1.933 0 40 EDAB Cc1ccc(-n2nnc(C(=O)N[C@H]3CCCS(=O)(=O)C3)c2C)cc1 69898901 RPJHNQCUZWMOFB-ZDUSSCGKSA-N 348.428 1.191 0 40 EDAB CN(C)C[C@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCO1 69818986 LVMPCUAKXFVWFJ-IRXDYDNUSA-N 342.867 1.480 0 40 EDAB COc1ccc(OC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1 21559378 UIVQHJAHPIAOEQ-LBPRGKRZSA-N 334.372 1.300 0 40 EDAB O=C1COc2c(cccc2C(=O)N2CCC[C@H](n3cccn3)C2)N1 65624953 XZAVUMMLYOPMOP-LBPRGKRZSA-N 326.356 1.691 0 40 EDAB Cc1ccc2c(CC(=O)N[C@H](C)CN3CCOCC3)cc(=O)oc2c1 65609248 YKDAOQKACIASOL-CQSZACIVSA-N 344.411 1.481 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cccn1)N1CCC(c2ccccc2)=N1 69893118 PQRAOUNWOMIBDZ-KRWDZBQOSA-N 337.427 1.984 0 40 EDAB O=C(CS(=O)(=O)Cc1cscn1)NCc1ccccc1F 69873228 XMONPZRWGGPHIR-UHFFFAOYSA-N 328.390 1.513 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N3C[C@H](C)O[C@H](C)C3)cnc12 14235605 UZDLPEJCUXVMBM-OKILXGFUSA-N 329.400 1.731 0 40 EDAB CCn1cc(CN(C)S(=O)(=O)c2cn(CC)nc2C)c(C)n1 14226417 XQJULARKOLOMSH-UHFFFAOYSA-N 325.438 1.557 0 40 EDAB CCOCCCNC(=O)CSc1nnc(-c2ccncc2)n1C 6609011 QJARXEQDWICIOC-UHFFFAOYSA-N 335.433 1.512 0 40 EDAB CCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 408584024 LFEQCUKLFOXUAZ-LBPRGKRZSA-N 328.434 1.539 0 40 EDAB COC(=O)[C@H](C)N(CC(=O)NCC1(c2ccccc2)CC1)C1CC1 69917396 DXLUVLWBGWHTQM-AWEZNQCLSA-N 330.428 1.860 0 40 EDAB CCN1CCCC[C@@H]1C(=O)N1CCCN(Cc2nccn2C)CC1 69919131 YLBYKBOUZVFVQQ-MRXNPFEDSA-N 333.480 1.329 0 40 EDAB CCN(C1CCN(Cc2ccc(Cl)nc2)CC1)S(C)(=O)=O 66884037 CLTMBYSUOQYTFB-UHFFFAOYSA-N 331.869 1.981 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cn(C)c3ccccc23)CC1 69977917 JRQQISJPLZCNGD-OAHLLOKOSA-N 345.443 1.334 0 40 EDAB CCc1nc(CC(=O)N2CCCN(c3cccnn3)CC2)cs1 69947015 JATXKIUVRFDRTH-UHFFFAOYSA-N 331.445 1.777 0 40 EDAB CCCN(CCNS(C)(=O)=O)C[C@@H]1COc2ccccc2O1 69900956 ZERKNDNAOBYJBM-CYBMUJFWSA-N 328.434 1.088 0 40 EDAB O=C1CN([C@@H]2CCS(=O)(=O)C2)C(=S)N1c1ccc(Cl)cc1 5937725 LBCUNAKJADVYCN-LLVKDONJSA-N 344.845 1.461 0 40 EDAB Cc1ccc([C@@H](CNC(=O)C[C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 67268563 INJHVXCONUJRJK-GOEBONIOSA-N 338.473 1.539 0 40 EDAB CC(=O)Cn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O 8725057 XAGWLTKYZFFMEG-UHFFFAOYSA-N 338.323 1.197 0 40 EDAB Cc1nnc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)o1 7753006 QJQLBOUFCRPWLX-UHFFFAOYSA-N 340.430 1.850 0 40 EDAB Cn1cc(CN2CCCC[C@H]2Cc2ccccc2)c(=O)n(C)c1=O 92759866 VSSLAJVOUFVJEP-KRWDZBQOSA-N 327.428 1.681 0 40 EDAB O=C(C[C@@H]1SC2=NCCN2C1=O)Nc1ccc(N2CCCC2)cc1 61718487 RXIXSLOULLKIEX-AWEZNQCLSA-N 344.440 1.929 0 40 EDAB C[C@H](N)c1ccc2c(c1)N(CC(=O)NC1CCCCC1)C(=O)CO2 19768056 GUVGJADQLMBGFH-LBPRGKRZSA-N 331.416 1.881 0 40 EDAB COc1cc(C)ccc1OCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 9388819 PQLLMIGJFYZKGF-LBPRGKRZSA-N 327.402 1.028 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)Cc1coc(-c3ccccc3)n1)CC2 65552526 ZMYCFYVODXTIEJ-CQSZACIVSA-N 337.383 1.915 0 40 EDAB O=C(NC[C@@H](O)c1c(F)cccc1F)C(=O)Nc1cccc(F)c1 72294315 ULQPHGTWZFRSBD-CYBMUJFWSA-N 338.285 1.892 0 40 EDAB Cc1ccccc1CC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 72287079 PFZINKVRJIBBNS-UHFFFAOYSA-N 342.399 1.232 0 40 EDAB O=c1[nH]cnc(O)c1C(c1ccc(Cl)cc1)c1c(O)nc[nH]c1=O 9553903 DQAHPRKTHSTJLC-UHFFFAOYSA-N 346.730 1.098 0 40 EDAB Cc1cccc(C)c1OCCCNC(=O)N1CCS(=O)(=O)CC1 71803936 UNASWRIEZOFGRY-UHFFFAOYSA-N 340.445 1.512 0 40 EDAB CC[C@@H](C(N)=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 71856513 HWQWSXSJVHNODC-NSHDSACASA-N 335.433 1.180 0 40 EDAB C[C@H]1CCCC[C@@H]1N(C)C(=O)COCC(=O)NCc1cccnc1 71888958 FABLCWMSCMAPJJ-HOCLYGCPSA-N 333.432 1.752 0 40 EDAB c1nc2c(c(N3CCCN(Cc4noc(C5CC5)n4)CC3)n1)CCC2 71859553 KQVPUYVQRULLPU-UHFFFAOYSA-N 340.431 1.938 0 40 EDAB OC[C@@H]1CCCN1c1cc(N[C@@H]2CCN(CC(F)(F)F)C2)ncn1 72276216 FAGVUZLBJBASSP-NEPJUHHUSA-N 345.369 1.486 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3nc(-c4ccco4)no3)CCO2)n1 72253485 FYFRHNZOJRISCG-ZDUSSCGKSA-N 344.375 1.439 0 40 EDAB O=C(NC1CC1)[C@H]1CCCN(c2c3c(nc4ncnn24)CCC3)C1 35314573 XIUYPUBFTRSNKZ-NSHDSACASA-N 326.404 1.108 0 40 EDAB O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(CCO)CC2)[nH]1 22241579 XKUVOHLRLDICQT-UHFFFAOYSA-N 334.807 1.205 0 40 EDAB COC(=O)CCCCCNS(=O)(=O)Cc1nc2ccccc2o1 22049824 GATCNPMBKDSDPK-UHFFFAOYSA-N 340.401 1.981 0 40 EDAB in-vitro CNC(=O)CCN(C)C(=O)[C@H](C)Oc1ccccc1Br 95395678 FJTXZDZXWNFCOH-JTQLQIEISA-N 343.221 1.811 0 40 EDAB CN1CCC(NC(=O)[C@H](Cc2ccccc2)N2CCCOC2=O)CC1 95350189 AWEWNWIOXZLSOY-KRWDZBQOSA-N 345.443 1.650 0 40 EDAB CCc1noc([C@H](C)N2CCN(C[C@H](O)Cc3ccccc3)CC2)n1 95360777 ZPNYRZOXEKDLLW-DOTOQJQBSA-N 344.459 1.914 0 40 EDAB O=C(CCOc1ccc(F)cc1Cl)N1CCN(CCO)CC1 78517849 ZLYNBCTYHBMAMT-UHFFFAOYSA-N 330.787 1.385 0 40 EDAB Cc1cc([C@](C)(O)CNS(=O)(=O)c2cnn(C(C)C)c2)c(C)o1 95433213 AXQDKIDMYFQDRT-OAHLLOKOSA-N 341.433 1.860 0 40 EDAB NC(=O)CN(C1CC1)S(=O)(=O)c1ccc(Br)cc1 95428907 CEKWNYPFDXSBMO-UHFFFAOYSA-N 333.207 1.088 0 40 EDAB CC[C@@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1c(C)nn(C)c1C 95436959 LCNDUHBDBJCYON-HUUCEWRRSA-N 347.463 1.941 0 40 EDAB C[C@@H](Cn1cncn1)N[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 95421165 ZSHVNOLDTFUIOX-KBPBESRZSA-N 349.460 1.557 0 40 EDAB O=c1n(CCN2CCC[C@H]2c2noc(C3CC3)n2)nc2ccccn12 78891777 DXWWCBSBNKAHTE-ZDUSSCGKSA-N 340.387 1.594 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)n1 78896698 UMOGPHIPLDRQDE-YPMHNXCESA-N 339.871 1.998 0 40 EDAB C[C@H](NC(=O)N[C@H](C)Cn1cncn1)c1ccc(-n2cccn2)cc1 78941264 KDDYCTBDMVVJJN-KGLIPLIRSA-N 339.403 1.913 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 95953075 CYDSKLLXIPCOBQ-KRWDZBQOSA-N 326.400 1.672 0 40 EDAB CC(C)c1cc(N2CCC[C@H](O)C2)nc(CN2CCC[C@H](O)C2)n1 79111197 PRASUHBJPDNQFA-GJZGRUSLSA-N 334.464 1.518 0 40 EDAB CCOc1ccc(CNC(=O)NCCc2nnc3n2CCC3)cc1F 86394338 IPEPJCQKLKSDNT-UHFFFAOYSA-N 347.394 1.804 0 40 EDAB Cc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1CN1CCOCC1 75179050 MEJZXBZVHVVSDK-INIZCTEOSA-N 345.443 1.048 0 40 EDAB CCN(CC)S(=O)(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 23402223 YLPCMDWSSJRBLG-CYBMUJFWSA-N 337.449 1.847 0 40 EDAB COc1nc(O)c2c(n1)NC(=O)[C@H](CC(=O)Nc1ccccc1)C2 1548338293 CGUQGTRMGJCPCL-VIFPVBQESA-N 328.328 1.330 0 40 EDAB CC(C)CC(=O)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 306126950 FJSRTPMKNMUAND-CQSZACIVSA-N 329.462 1.475 0 40 EDAB O=C(CCCn1nnc2ccccc2c1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 32103388 FNIRVJRBTJRFFY-QLFBSQMISA-N 338.411 1.900 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@H]1C2 306132744 LQSUKKYFXLLQKM-ZIAGYGMSSA-N 345.472 1.782 0 40 EDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ncnc3[nH]cnc23)C1 548334559 VACUXPNXXTZFAI-HNNXBMFYSA-N 343.416 1.360 0 40 EDAB CN(C)c1cccc(S(=O)(=O)NC[C@@H](C(=O)O)c2ccccc2)c1 549516948 HJTPFUJALSXFHU-MRXNPFEDSA-N 348.424 1.899 0 40 EDAB O=c1ccc2cc(S(=O)(=O)n3nnc4ccccc43)ccc2o1 36636392 NCIRTDAFEWMWNA-UHFFFAOYSA-N 327.321 1.775 0 40 EDAB COc1cncc(N2CCN(C(=O)c3cc4ccccn4c3)CC2)n1 73734342 KNADOOKMWMPHJE-UHFFFAOYSA-N 337.383 1.700 0 40 EDAB COc1nscc1CN1CC[C@]2(CCN(C(=O)c3ccon3)C2)C1 1041101031 JTKCPQQYJCPTHN-INIZCTEOSA-N 348.428 1.878 0 40 EDAB CN1C(=O)CO[C@H](C(=O)Nc2cnn(C)c2)[C@@H]1c1cccc(F)c1 72241668 KYJGWDGDUISQCI-GJZGRUSLSA-N 332.335 1.096 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)CO 218206993 PLZZNICIVUHIIE-TUAOUCFPSA-N 334.235 1.039 0 40 EDAB Cc1sc(=O)n(CCC(=O)NC[C@](C)(O)c2ccccc2)c1C 77615047 BJPIJBLIYGDKGQ-KRWDZBQOSA-N 334.441 1.941 0 40 EDAB CNCC(=O)N1CCC[C@H]1c1cc(Nc2nncs2)nc(C)n1 72360928 TUBPCPOSKLAPQJ-NSHDSACASA-N 333.421 1.263 0 40 EDAB COc1ccc(C[C@]2(c3ccc(OC)cc3)NC(N)=NC2=O)cc1 71974404 XUFUAMXRMTXFSN-GOSISDBHSA-N 325.368 1.586 0 40 EDAB Cc1nc([C@H](NC(=O)Cn2nnc3ccccc32)c2ccccc2)n[nH]1 78406437 KZZZIVGXUWDSQJ-QGZVFWFLSA-N 347.382 1.764 0 40 EDAB Cc1cc(C(=O)N2CC(C(=O)NCCc3ccc(F)cc3)C2)no1 70811369 HYQLYORJQMITIY-UHFFFAOYSA-N 331.347 1.553 0 40 EDAB O=C1C[C@H](c2noc(-c3ccc[nH]c3=O)n2)CN1Cc1ccccc1 44425224 ARVUWKQZKSQIPC-ZDUSSCGKSA-N 336.351 1.941 0 40 EDAB CCN1CCN(C[C@H](C)CNC(=O)N2CCOC3(CCC3)C2)CC1 130062299 IERCDPBZBRESER-MRXNPFEDSA-N 338.496 1.225 0 40 EDAB CCc1nc(N)n(CC(=O)NCc2ccccc2Cl)c(=O)c1C 49411050 SLQVPHVZZNNJQR-UHFFFAOYSA-N 334.807 1.666 0 40 EDAB CN(CCC(=O)N1CCOCC1)[C@H]1CCCN(c2ccccc2)C1 81013435 AJZBCTORZCZIOG-SFHVURJKSA-N 331.460 1.836 0 40 EDAB Cc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)Cn3ccnc3)C2=O)cc1 80568364 BXFNCHAELUNCFZ-HOCLYGCPSA-N 341.415 1.685 0 40 EDAB CC(C)n1cnc(S(=O)(=O)NC[C@@H]2Cc3ccccc3CO2)c1 225787255 PNWDRWSAEPYKHJ-HNNXBMFYSA-N 335.429 1.884 0 40 EDAB Cc1noc(C)c1/C=C1/SCCN1C(=O)CN(C)S(C)(=O)=O 225249312 BCTHTOMODZKRPG-NTUHNPAUSA-N 345.446 1.057 0 40 EDAB CC(C)Cc1nnc(NC(=O)[C@H](c2ccccc2)n2cnnn2)s1 40266906 KDNGBHYOQGCVBM-ZDUSSCGKSA-N 343.416 1.951 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@@H](O)c2c(F)cccc2F)C1 195544893 MMGORMGZIPUUGB-UHIISALHSA-N 348.415 1.811 0 40 EDAB CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2F)O1 334046614 YBYAZGBMBLXAHL-LDYMZIIASA-N 328.315 1.036 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 572100547 FFJFSMMRQBXUHO-AHIWAGSCSA-N 349.383 1.697 0 40 EDAB NCCS(=O)(=O)c1c(Br)cccc1Br 199552386 LKNPZEGZGQCETA-UHFFFAOYSA-N 343.040 1.944 0 40 EDAB CN1C(=O)c2ccccc2O[C@H]2CN(Cc3ccncc3F)C[C@H]21 514288789 BTXWJRUPKTXBCJ-WBVHZDCISA-N 327.359 1.938 0 40 EDAB biogenic,in-vitro O=S(=O)(C1CC1)N1Cc2nccn2C[C@H](COCC2CC2)C1 96187933 XAALOYYZAOHODC-ZDUSSCGKSA-N 325.434 1.234 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccno2)[C@H]1Cc1ccccc1 96089389 QDIDLMBHGSBMFF-KGLIPLIRSA-N 349.412 1.050 0 40 EDAB CS(=O)(=O)NCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 96481145 DJQNCHOSSVCMAW-LBPRGKRZSA-N 343.518 1.751 0 40 EDAB O=C(NCC[C@@H](O)C1CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 77108565 YSUFPEVITCSUEC-OAHLLOKOSA-N 345.399 1.029 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NC[C@H](O)c1cccs1 77183205 FFKMYRMISRHLJY-LBPRGKRZSA-N 334.397 1.223 0 40 EDAB Cc1noc(CCNC(=O)N2CCO[C@@H](CCc3ccccc3)C2)n1 96502674 RCTGROZPTHAKFE-INIZCTEOSA-N 344.415 1.964 0 40 EDAB Cc1cnc(C(=O)N2CC[C@@]3(CCCN(c4nncs4)C3)C2)cn1 96217180 WSNNMIJNERZKCG-INIZCTEOSA-N 344.444 1.769 0 40 EDAB Cc1ccc(CN2CC[C@@]3(C[C@@H](NS(C)(=O)=O)CCO3)C2)cc1 96107868 JDJHEVLMUAGTAP-DLBZAZTESA-N 338.473 1.668 0 40 EDAB C[C@@H](NC(=O)NCc1ncnn1C)c1nc(Cc2ccccc2)no1 96456352 BFCUYYUPMUARAM-LLVKDONJSA-N 341.375 1.349 0 40 EDAB COc1cccc(N2C[C@@]3(CCN(C(=O)CN(C)C)C3)CC2=O)c1 96077488 LVUICFFGOHRVNH-SFHVURJKSA-N 331.416 1.212 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(c3ncccn3)C[C@@H]2O1 96066308 MVPXQRKOLTYZGE-CFVMTHIKSA-N 325.372 1.494 0 40 EDAB CS(=O)(=O)NCCN1CCSC[C@@H]1c1ccc(Cl)cc1 96407685 ZZAHCWGKNLUXDZ-CYBMUJFWSA-N 334.894 1.979 0 40 EDAB C[C@H](NC(=O)C1CN(c2ncnc3c2nnn3C)C1)c1ccccc1 96096745 WRAOPZVMAREBSW-NSHDSACASA-N 337.387 1.072 0 40 EDAB Cc1nnc(O)c(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1C 97198255 DHJLOYFATXOOPM-LLVKDONJSA-N 330.392 1.259 0 40 EDAB CC(=O)N1CCO[C@@H]2CN(C(=O)Cc3ccc(F)cc3)CC[C@@H]2C1 96249866 PXWYTYVFRGGADN-NVXWUHKLSA-N 334.391 1.464 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 96071246 ZNVDPHXGLQXXMA-QFBILLFUSA-N 343.427 1.744 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1 96426670 QBBTXSNFVYCNOB-ZIAGYGMSSA-N 339.399 1.208 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)C2 97198727 YMHFJYXHWAKVBU-LBPRGKRZSA-N 331.420 1.936 0 40 EDAB Cn1cc(CN2CC3(C[C@H](Oc4ncccc4F)CCO3)C2)cn1 248097921 DHFJKBGQSYYDMG-CQSZACIVSA-N 332.379 1.767 0 40 EDAB Cc1cn(C)c([C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1 257252257 JUDMYOJNCAVULG-AWEZNQCLSA-N 327.450 1.764 0 40 EDAB NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)NC2CCCCC2)C1 257274718 NMJBWCALYNXTND-LJQANCHMSA-N 344.459 1.349 0 40 EDAB O=C(Cn1ccnc1)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257336824 YQERQVKYARTZFK-ZDUSSCGKSA-N 326.360 1.385 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)CC 252516395 SIPVHLNMZGRCOT-GZBFAFLISA-N 345.848 1.749 0 40 EDAB CO[C@@H]1CCC[C@@H](NC(=O)c2cc(C)n(-c3ccccc3)n2)[C@H]1O 257202129 AKPRVIXZQXUBGP-DJIMGWMZSA-N 329.400 1.839 0 40 EDAB CC[C@]1(c2ccc(NC(=O)C(C)(C)C(=O)O)cc2)CCC(=O)NC1=O 583205860 FHZRCZXUKOZVIC-GOSISDBHSA-N 346.383 1.820 0 40 EDAB C[C@H](CO)NC(=O)Nc1cn(-c2ccccc2C(F)(F)F)nn1 585119871 YDHQDDLPAYLZLI-MRVPVSSYSA-N 329.282 1.788 0 40 EDAB CC(C)n1cc(CNS(=O)(=O)c2cnc3ccsc3c2)nn1 585114534 HTOZCHAKJOLEJL-UHFFFAOYSA-N 337.430 1.947 0 40 EDAB O=C(CC1CCC1)N1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 257199823 AAYCRKAJAANGPX-IAGOWNOFSA-N 328.412 1.815 0 40 EDAB CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1O 257225071 FERSOSCVASBKMX-IAGOWNOFSA-N 328.416 1.128 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CCOC[C@H]1c1ccn[nH]1 257332461 XXKJEQHMPPYOOS-HNNXBMFYSA-N 325.372 1.819 0 40 EDAB COc1nccn2c(CNC(=O)NCCCc3ccccc3)nnc12 253473784 YKLNPTQGHJCOCC-UHFFFAOYSA-N 340.387 1.565 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)n1 257208178 BLAZAYRSANRDLE-OAHLLOKOSA-N 338.371 1.608 0 40 EDAB CN(C(=O)c1ccc(-c2cc[nH]n2)s1)[C@@H]1CCS(=O)(=O)C1 277233991 GVWKGXVJMJDKQA-SECBINFHSA-N 325.415 1.397 0 40 EDAB O=S(=O)(Cc1ccc(Cl)nc1)N1CC(O)(C(F)(F)F)C1 1615585631 JVCYONVGKKXUCE-UHFFFAOYSA-N 330.715 1.174 0 40 EDAB O=C1C(=O)N(C2CCCCC2)C(=O)N1Cc1ccn2ncnc2c1 1615553702 YFVMKGLWBSTMDH-UHFFFAOYSA-N 327.344 1.353 0 40 EDAB COc1ccc(CCC(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc1 96121974 CLQAYILSBHKMFK-UHFFFAOYSA-N 339.457 1.909 0 40 EDAB CC(C)CC(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3ccccc3)[C@H]2C1 575405392 SNDDZXPRSGTLBM-BRWVUGGUSA-N 330.428 1.936 0 40 EDAB CC(C)c1nccn1CC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 585140970 NIBDTBYQFNAUAK-OAHLLOKOSA-N 332.448 1.771 0 40 EDAB CC(=O)Nc1nc([C@H]2CCCN2CC(=O)Nc2cc(C)on2)cs1 585274033 YXGWBLBRRHCRGI-GFCCVEGCSA-N 349.416 2.174 0 40 EDAB CO[C@H]1CN(C(=O)CN2CCCC2=O)CC[C@@H]1Cc1ccccc1 585278774 GDLYWFHMSTXXMG-SJORKVTESA-N 330.428 1.715 0 40 EDAB COCCC(=O)N1Cc2ccnn2CC[C@@H]1CN1CCC(F)(F)C1 585096766 COGGXKARLQPKEI-CYBMUJFWSA-N 342.390 1.362 0 40 EDAB CCN(C(=O)[C@H](C)Nc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 57891684 NZDJUIYFULZRJH-QWHCGFSZSA-N 340.445 1.531 0 40 EDAB CCSc1cc(C(=O)NCCn2nc3ccccn3c2=O)ccn1 57241053 HDRFLMCRGOWFIN-UHFFFAOYSA-N 343.412 1.433 0 40 EDAB Cc1ccc(C(=O)C2CCN(C(=O)NCC(=O)N(C)C)CC2)cc1 56798671 AVYQVRQEKHLUQI-UHFFFAOYSA-N 331.416 1.688 0 40 EDAB O[C@@H](COc1ccc2c(c1)OCO2)CN1CCC[C@H](c2cc[nH]n2)C1 63525993 GWAQIWXAEOVLDG-UONOGXRCSA-N 345.399 1.758 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC(=O)N(C2CC2)C1 75161558 PUHNKHOXDZWMJT-NSHDSACASA-N 328.821 1.690 0 40 EDAB CC(C)[C@H](C(=O)NC[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1)N(C)C 97079858 KGOYEHKGXBVHAH-CGTJXYLNSA-N 331.460 1.908 0 40 EDAB CO[C@@H]1CCC[C@@H](NC(=O)c2nnn(-c3ccccc3F)c2C)[C@H]1O 1615074973 AOPLQIXAUSXXRM-XNRPHZJLSA-N 348.378 1.373 0 40 EDAB COc1ccc(COCC(=O)N(C)[C@H]2CC[S@](=N)(=O)C2)cc1 1615604594 AKXHTHCJXHOTEJ-XMHCIUCPSA-N 326.418 1.489 0 40 EDAB O=C(Nc1ccccc1)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(C2CC2)nn1 1549162956 YXULBAKJXWWSDG-ARFHVFGLSA-N 343.387 1.106 0 40 EDAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccccc1 5241214 IYIZJUOYEPMQFF-ZDUSSCGKSA-N 342.351 1.810 0 40 EDAB NC(=O)CC[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 5943939 YZKYZQWVQTZOLN-SECBINFHSA-N 334.159 1.834 0 40 EDAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2)cc1 14153191 BRCDQGULRUDKJH-UHFFFAOYSA-N 327.340 1.389 0 40 EDAB CCN1C(=O)C[C@H](N2CCC(C3CCN(C(C)=O)CC3)CC2)C1=O 15080457 VTKVDAOHKGSHHB-INIZCTEOSA-N 335.448 1.104 0 40 EDAB Cc1ccccc1NC(=O)NCc1nccc(N2CCOCC2)n1 206722244 ALRWGBQSZWPOPX-UHFFFAOYSA-N 327.388 1.943 0 40 EDAB O=C(O)C[C@H]1Oc2ccccc2N(CC(=O)N2CCCCC2)C1=O 19768222 ZSQBONDRQIOAKN-CQSZACIVSA-N 332.356 1.268 0 40 EDAB CO[C@H]1C[C@@H](C(=O)NC2(c3ccc(F)cc3)CCOCC2)N(C)C1 583620151 HRQVWFXRJQHHRT-HOTGVXAUSA-N 336.407 1.667 0 40 EDAB CS(=O)(=O)C1=C(O)C(=O)N(CCCC(=O)O)[C@H]1c1ccccc1 22022938 FSJPDHBGNBBFDI-LBPRGKRZSA-N 339.369 1.249 0 40 EDAB COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1C(N)=O 26747845 BCYUTVMLCIAAGG-UHFFFAOYSA-N 338.360 1.412 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1C 240122480 VZXGWHZKAGGPBQ-UHFFFAOYSA-N 336.417 1.621 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CC(Oc2cccnc2)C1 238825505 DQNKIKJMCAJQPT-UHFFFAOYSA-N 326.324 1.812 0 40 EDAB Cc1cnccc1CN1CCO[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037980831 JTNRWLLYODSILM-SFHVURJKSA-N 333.432 1.228 0 40 EDAB CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1cc[nH]c1)C2 1565553805 JUBFBZFIXPAKCG-UHFFFAOYSA-N 343.431 1.780 0 40 EDAB O=C(C[C@H]1CO[C@@H]2CN(C(=O)C3(F)CC3)C[C@@H]21)Nc1cccnc1 1565548832 KJVBDVQFJDPZLI-IACUBPJLSA-N 333.363 1.386 0 40 EDAB COc1cc(C(=O)N2CCNC(=O)C2)ccc1OCc1cscn1 30577003 WPPSDVKTYMNKQB-UHFFFAOYSA-N 347.396 1.303 0 40 EDAB Cc1ccnc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)c1 30557007 OABJXHWPMCHMEQ-UHFFFAOYSA-N 337.387 1.683 0 40 EDAB O=C1C[C@H](c2ccc(S(=O)(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)cc2)CN1 100208731 HZIHGWZABYTZLM-HNKHHVNMSA-N 346.452 1.781 0 40 EDAB CCCCN1C(=O)NC(=O)/C(=C(/CC)NCc2cccnc2)C1=O 20266577 KXHNSQVVRFYMAW-BUHFOSPRSA-N 330.388 1.714 0 40 EDAB O=C(CN1CCCCCC1=O)NCc1cccnc1-n1cccn1 31227797 USGJTOOLHQWNKY-UHFFFAOYSA-N 327.388 1.286 0 40 EDAB CCOc1ncccc1CNC(=O)[C@H]1CCCN(C(=O)C(C)C)C1 40508834 QQVVYTJLNWWXDM-HNNXBMFYSA-N 333.432 1.991 0 40 EDAB CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1cnn(C)c1 40528031 DARTVQXLGNYERI-UHFFFAOYSA-N 329.809 1.773 0 40 EDAB NC(=O)CC1CCN(C(=O)NC[C@H]2COc3ccccc3O2)CC1 40549317 WRNCTIUDYBADSE-ZDUSSCGKSA-N 333.388 1.123 0 40 EDAB CCOC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 36712622 CODGZHXOULPJMS-UHFFFAOYSA-N 329.374 1.079 0 40 EDAB Cc1cc(NC(=O)Cn2cc(I)cn2)no1 1431332 WXOHUIXFRCBNKM-UHFFFAOYSA-N 332.101 1.423 0 40 EDAB CC(=O)N1[C@@H](C(=O)NN2CCOCC2)CS[C@H]1c1ccccc1 1643138 QPMAXKRIAUACDA-ZBFHGGJFSA-N 335.429 1.013 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N2CC=CC2)c1 101358329 LBYVQUSQVOGHMF-SFHVURJKSA-N 335.407 1.889 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)c1cc(-n2cnnn2)ccc1Cl 20727912 CFUJVIAHGQUKHP-HNNXBMFYSA-N 343.774 1.779 0 40 EDAB O=C(NC(=O)c1cnn([C@H]2CCS(=O)(=O)C2)c1)Nc1ccccc1 4002017 NLQRSTGECHGKOE-ZDUSSCGKSA-N 348.384 1.205 0 40 EDAB Cc1nc(COc2ccc(C(=O)OCC(=O)NC(C)C)cc2)no1 11752971 RIRHEAJKZSUEOV-UHFFFAOYSA-N 333.344 1.638 0 40 EDAB CCCC(=O)OC[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 4855105 QCOXYZFUHMUEIC-JDCLNJACSA-N 330.377 1.726 0 40 EDAB CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1 6791158 LAMOFAFAHFQERM-GFCCVEGCSA-N 328.434 1.539 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108526438 ZITMPRVRMQSJCV-LSDHHAIUSA-N 346.431 1.465 0 40 EDAB Oc1cccc([C@H]2c3c(-c4ccco4)nnc(O)c3Nc3nnnn32)c1 10297590 MCKAHMJWZFAGOD-AWEZNQCLSA-N 349.310 1.829 0 40 EDAB COc1ccc(C(C)=O)c(OS(=O)(=O)c2ccc(C(N)=O)cc2)c1 32837450 HQXQXIHKWUXALK-UHFFFAOYSA-N 349.364 1.764 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(C(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 103335509 PTSYEASAIZWFBC-APIJFGDWSA-N 337.489 1.373 0 40 EDAB CCn1cc(-c2nnc(SCC(=O)Nc3cc(C)on3)o2)cn1 41385351 MDSICWAKCIEWJO-UHFFFAOYSA-N 334.361 1.980 0 40 EDAB CN(CC(=O)NCC1CCCC1)C1=NS(=O)(=O)c2ccccc21 33054475 SOYNNEKAMMHIDF-UHFFFAOYSA-N 335.429 1.374 0 40 EDAB CNc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 9937852 QYGPNHBRGNMNFR-GFCCVEGCSA-N 341.415 1.776 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)cc1 69420851 IJRJAMDCJJHWOT-NSHDSACASA-N 330.306 1.722 0 40 EDAB Cc1cc2c(=O)n(NC(=O)c3nn(C)cc3Cl)c(C)nc2s1 2778675 AEQHLSDJDSZJKY-UHFFFAOYSA-N 337.792 1.846 0 40 EDAB CC(C)n1nccc1NC(=O)CCn1nnc2ccccc2c1=O 22290741 ISJXWBMMJLBCNT-UHFFFAOYSA-N 326.360 1.598 0 40 EDAB COc1cc(C(=O)N[C@@H](C)C(N)=O)cc(OC)c1Br 53331137 AZZGYKJTKCHDBU-LURJTMIESA-N 331.166 1.070 0 40 EDAB O=C(NCCNC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 22470254 DUBVQTJTCWHJDW-UHFFFAOYSA-N 336.351 1.083 0 40 EDAB O=C1[C@@H]2[C@H]3C(=O)[C@]4(Br)[C@@H]5[C@@H]3C[C@@H]2[C@H]5[C@@]14Br 104040293 DNSGPKOVZHUEHW-PJUQOASGSA-N 331.991 1.547 0 40 EDAB NC(=O)c1ccc(OCC(=O)NC(=O)NCc2cccs2)cc1 24420913 AGWLHGGMUDNUDK-UHFFFAOYSA-N 333.369 1.252 0 40 EDAB COc1ccc(CNC(=O)N2CCN(c3cnccn3)CC2)cc1 24742604 JWYGLMUCHZALOG-UHFFFAOYSA-N 327.388 1.517 0 40 EDAB Cc1cc(C)n2nc(C(=O)NC[C@@H]3COc4ccccc4O3)nc2n1 24858153 ACOZCXXJFUIDNX-GFCCVEGCSA-N 339.355 1.311 0 40 EDAB O=C([C@H]1CCOC1)N1CC[C@@H]2O[C@H](COCc3cccnc3)CC[C@@H]21 107205135 LRXGCCKLVCFUTA-XSLAGTTESA-N 346.427 1.783 0 40 EDAB COc1ccc(OC[C@H](O)CN2CCN(c3ncccn3)CC2)cc1 25229611 YYFARQJUKVPNNQ-OAHLLOKOSA-N 344.415 1.047 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CCO2)n1 107055615 ZRGBRENKMLGDIF-ZNMIVQPWSA-N 330.363 1.956 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)NCc1ccc(F)cc1 35296332 KOPASDVDZQSPOQ-QGZVFWFLSA-N 341.386 1.354 0 40 EDAB O=C(COCc1ccccc1Cl)N1CCN(c2ncccn2)CC1 44277727 IFGVMJWWRSJMDJ-UHFFFAOYSA-N 346.818 1.995 0 40 EDAB COc1cccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 58148761 CDRFBFVCHVYWJS-LBPRGKRZSA-N 327.406 1.241 0 40 EDAB COc1cc([C@@H]2[C@@H](C(C)=O)C(=O)C[C@](C)(O)[C@H]2C(C)=O)ccc1O 36030333 NKAAALBAEMIJHC-MHORFTMASA-N 334.368 1.619 0 40 EDAB Cn1ncc2c(NC[C@H](c3cccs3)N3CCOCC3)ncnc21 44894862 FKGAEGKIHVTDDM-CYBMUJFWSA-N 344.444 1.910 0 40 EDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCO)nn12)C[C@@H](C)CC3 2241668 MULRVXBYVXOXLD-QMMMGPOBSA-N 345.428 1.494 0 40 EDAB C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)c1cccc(Br)c1 58406365 AQCASESYHLEYCB-GMSGAONNSA-N 340.177 1.224 0 40 EDAB Nn1c(SCC(=O)NCc2cccs2)nnc1C(F)(F)F 3287574 HELHRAIGSGHASP-UHFFFAOYSA-N 337.352 1.481 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)[C@H](C)CO1 45449077 QTZQWAMNSZEQIU-ZIAGYGMSSA-N 327.384 1.541 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C[C@H](C)O1 12775802 XBFXQKNIVTZONC-UWVGGRQHSA-N 333.356 1.932 0 40 EDAB CCCN1CCC(NC(=O)Cn2c(=O)n(CC)c3ccccc32)CC1 48261882 VVTQVDSOYFMUGK-UHFFFAOYSA-N 344.459 1.814 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)Nc2ccnn2C(C)C)n1 69511394 LAYICDJGBNPTBA-HNNXBMFYSA-N 345.451 1.775 0 40 EDAB CN1CCN(C(=O)COc2ccccc2OCC(F)(F)F)CC1 69544080 FNBUMVPIIKUKSA-UHFFFAOYSA-N 332.322 1.781 0 40 EDAB Cn1cnc(CNC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)n1 91775456 OVRUMWDMYCGEIE-LLVKDONJSA-N 335.795 1.831 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)COc2ccccc2P(=O)(O)O)C1 9184591 CWHGMAAFLXIZPZ-TXEJJXNPSA-N 327.317 1.373 0 40 EDAB COCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 13021239 FRVHPXRLNABEMF-UHFFFAOYSA-N 335.429 1.869 0 40 EDAB CCc1cc(=O)n2nc(NCC[S@@](=O)c3ccccc3)sc2n1 69620606 QKPCTRIZOYDYRQ-QHCPKHFHSA-N 348.453 1.933 0 40 EDAB C[C@H](C(=O)NC1CCCC1)N1CCN(c2cncc(Cl)n2)CC1 69625763 ARNJEAYNZWFTGN-GFCCVEGCSA-N 337.855 1.699 0 40 EDAB O=C(N[C@H]1CCCNC1=O)c1ccccc1I 49498453 LSUQATNONLDROL-JTQLQIEISA-N 344.152 1.300 0 40 EDAB CNC(=O)NC(=O)CN(C)CCCc1cc(-c2cccc(F)c2)[nH]n1 69895558 WMZLZDJFGSIPIO-UHFFFAOYSA-N 347.394 1.536 0 40 EDAB COC(=O)c1cc(OC)ccc1NC(=O)[C@@H](C)NC(=O)C(C)(C)C 69875664 ISMNTDYFPSTKHV-SNVBAGLBSA-N 336.388 1.971 0 40 EDAB c1ccc2c(c1)CCN(c1nc(N3CCOCC3)c3nn[nH]c3n1)C2 70655792 VPOBTDDTVOYMSD-UHFFFAOYSA-N 337.387 1.147 0 40 EDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1cc(Cl)ccc1F 14095807 VWJLIOFFQYHVLK-UHFFFAOYSA-N 339.798 1.972 0 40 EDAB COC(=O)[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 65591640 IWXKFKIAGGSHAW-HZPDHXFCSA-N 327.336 1.857 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)CC(=O)NC(C)(C)C)C2=O 14142022 DKVRXQUPNLBYLO-SJKOYZFVSA-N 338.452 1.291 0 40 EDAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 4505276 ABALOCDVLSMCAH-AWEZNQCLSA-N 339.438 1.647 0 40 EDAB COCCN1CCC[C@H]1CNS(=O)(=O)N(C)C1CCCCC1 65610717 AHXQSPBPIAMGOP-HNNXBMFYSA-N 333.498 1.196 0 40 EDAB CN(Cc1ccccc1F)C(=O)CNC(=O)c1ccc2c(c1)OCO2 6786925 VTDWDLDEWJTBJV-UHFFFAOYSA-N 344.342 1.943 0 40 EDAB O=C(Cn1cnnn1)Nc1cc(Br)ccc1-n1cccn1 66788773 GXDZSXWRGXUEFC-UHFFFAOYSA-N 348.164 1.260 0 40 EDAB CCOCCSc1nc2cc(S(N)(=O)=O)ccc2n1CC 6977163 YYDHWHKCCGAOQO-UHFFFAOYSA-N 329.447 1.832 0 40 EDAB CCNC(=O)CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 67569999 HFRXYYFSHPZOAJ-MRXNPFEDSA-N 332.448 1.476 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2cccs2)CC1 19310498 PRAOFWFJLPLQOS-LLVKDONJSA-N 330.475 1.987 0 40 EDAB CCOc1ccc(CNc2ncc(S(N)(=O)=O)s2)cc1OC 71186081 QMLYTVKMFBQUJX-UHFFFAOYSA-N 343.430 1.810 0 40 EDAB CCOc1ccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)cc1OC 69384626 IBSAXICDBUASSV-CYBMUJFWSA-N 335.404 1.757 0 40 EDAB Cc1ccc(S(=O)(=O)NC(=O)[C@H](C)OC[C@H]2CCCCO2)cc1 69342978 KGGPXAKPRCVKJX-UONOGXRCSA-N 341.429 1.774 0 40 EDAB Cn1nnc(-c2ccc(OCC(=O)NCCc3ccncc3)cc2)n1 96231805 BBOYXJZSKKZZGJ-UHFFFAOYSA-N 338.371 1.010 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N(C)Cc1ccc(F)cc1F 71803270 QJVAQMNRQQKSOM-UHFFFAOYSA-N 349.403 1.436 0 40 EDAB C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCC(=O)NC(N)=O 71897375 DEVNSURYLOBNKC-ZWNOBZJWSA-N 325.796 1.687 0 40 EDAB CN(C)c1cc2c(cc1NC(=O)C(C)(C)C)n(C)c(=O)c(=O)n2C 20313012 VBWSCWYALYSRDR-UHFFFAOYSA-N 332.404 1.288 0 40 EDAB C[C@@H](C(=O)OCC(=O)NC1CCCCCCC1)N1CCOCC1 71921303 KUNCFOJMXOAAHY-AWEZNQCLSA-N 326.437 1.479 0 40 EDAB CN(Cc1nnc2ccccn12)c1cc(C(F)(F)F)nc2ncnn12 71904171 YUOGGUHUEWEUSU-UHFFFAOYSA-N 348.292 1.822 0 40 EDAB O=C(Nc1c[nH]cc(Br)c1=O)[C@H]1CC12CCOCC2 89991352 PPLAMFBJIKBOQJ-MRVPVSSYSA-N 327.178 1.893 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)on1 84124459 RVDIHGSASUOGFE-RYUDHWBXSA-N 348.407 1.625 0 40 EDAB Cc1cc([C@@H]2CCCN(Cc3cccc(OCC(N)=O)c3)C2)n[nH]1 84111321 BAPJYOWQZJOHLS-OAHLLOKOSA-N 328.416 1.962 0 40 EDAB O=C(CN1CCc2sccc2C1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269633 WTQVHJDKMXSHII-HOTGVXAUSA-N 349.500 1.164 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)Cn1nnc3ccccc31)C2 72279878 KJTKNHLTZXGWLX-UHFFFAOYSA-N 325.376 1.189 0 40 EDAB CCN1N=C(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)CCC1=O 72299430 YMLVPBPNHYMMJK-LBPRGKRZSA-N 333.392 1.855 0 40 EDAB O=C(CCc1ccc(F)c(F)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269618 DDDYENDPVADSTP-IAGOWNOFSA-N 338.398 1.955 0 40 EDAB COc1c([C@H]2CCCN2CC(=O)N(C)c2nccs2)c(C)nn1C 72253776 RHIBPHUPAFXJBY-GFCCVEGCSA-N 349.460 1.994 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCc1ccc3c(c1)OCO3)C2 97198818 IPDPYRILEIWUCS-CQSZACIVSA-N 327.384 1.984 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)c1sc2nc[nH]c(=O)c2c1C 72402648 JAOMYYWNGHHCKT-UHFFFAOYSA-N 331.401 1.573 0 40 EDAB Cc1noc(COCC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2)n1 95397176 SRSVVDGFGVGZLN-GFCCVEGCSA-N 332.404 1.708 0 40 EDAB C[C@@H](C(=O)Nc1ncccn1)N1CCN(c2nccs2)[C@H](C)C1 95351835 LRBFQACWPMODPO-NEPJUHHUSA-N 332.433 1.471 0 40 EDAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCCc2nccn2C)C1 95400493 OVLSAZWDAHTTBZ-CQSZACIVSA-N 335.452 1.156 0 40 EDAB O=C(Nc1cccnc1)C(=O)N[C@@H](Cn1cccn1)c1ccccc1 95401119 DKMWVKZEJFTPHY-INIZCTEOSA-N 335.367 1.774 0 40 EDAB NC(=O)C1(NC(=O)c2ccc(N3CCCC3=O)cc2)CCCCC1 78390217 WGHMOGNXXWSYBE-UHFFFAOYSA-N 329.400 1.731 0 40 EDAB O=[S@](CCN1CCO[C@H](CNc2cccnn2)C1)c1ccccc1 78894126 SGMCKHALZQDPAU-MYYSRTQBSA-N 346.456 1.397 0 40 EDAB C[C@H]1OCCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)[C@@H]1C 95995588 HJPWYFBUEMAAEC-RKDXNWHRSA-N 344.209 1.789 0 40 EDAB C[C@H](O)CN1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 75132638 KYCHHXLIFFECSZ-WFASDCNBSA-N 332.366 1.737 0 40 EDAB O=C(CCc1cscn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 75129244 XGDVWGRCVRRUGH-QGZVFWFLSA-N 345.468 1.954 0 40 EDAB Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(=O)[nH]1 75118244 HBLWJCPWCDBVPL-GFCCVEGCSA-N 348.424 1.920 0 40 EDAB Cc1cccc(NC(=O)Cn2cc(-c3ccccc3)nn2)c1C(N)=O 89686265 CKSFJEKIAUGJAC-UHFFFAOYSA-N 335.367 1.991 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)c3cc(C)n(C)n3)cn2)CC1 79574866 KVEUVOBSXYNIFA-UHFFFAOYSA-N 342.447 1.195 0 40 EDAB Cc1noc([C@@H](NC(=O)NC[C@@H]2CCCN2C)C2CCOCC2)n1 548012784 UNDGPPRRVKZUJS-KBPBESRZSA-N 337.424 1.239 0 40 EDAB CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2C(=O)c2coc(C)n2)n1 72388472 YRHRZEPDIYXJFZ-QGZVFWFLSA-N 343.387 1.592 0 40 EDAB Cn1cc(N2CCN(C(=O)[C@@H]3CCc4cccc(O)c43)CC2)cn1 556459107 GEFUOWLZEMEKIK-OAHLLOKOSA-N 326.400 1.504 0 40 EDAB CCS(=O)(=O)N1CCC(c2nnc([C@@H]3CCCCN3)o2)CC1 77010823 KKWNZTJMEBZZQY-LBPRGKRZSA-N 328.438 1.413 0 40 EDAB C[C@@H]([C@@H](C)N(C)CC(=O)N(C)Cc1ccc(F)cc1)S(C)(=O)=O 79100419 YQCQUEFOZKDVSU-OLZOCXBDSA-N 344.452 1.538 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](c2nccnc2Oc2cccnc2)C1 72361976 AXJRNMVZLMWRQN-GFCCVEGCSA-N 334.401 1.803 0 40 EDAB CO[C@@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)c1ccccc1 79310541 XSRJXIFARBSNQG-OAHLLOKOSA-N 338.473 1.333 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 78113874 QVYMKUSDEHHILW-KDOFPFPSSA-N 342.443 1.807 0 40 EDAB Cc1nc(CN2CCC[C@@](O)(Cn3ccnn3)C2)nc2ccccc12 574182978 JNASTPZEAUQFCF-SFHVURJKSA-N 338.415 1.557 0 40 EDAB C[C@@H](O)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C 192554757 CPLRQQKXFYCCQJ-MFKMUULPSA-N 333.354 1.988 0 40 EDAB O=C(NCCc1ccccc1)C(=O)NC[C@](O)(c1ccco1)C1CC1 75154979 DUQDWWHKILWIFU-LJQANCHMSA-N 342.395 1.352 0 40 EDAB Cc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)Cn3ccnc3)C2=O)cc1 80568367 BXFNCHAELUNCFZ-GOEBONIOSA-N 341.415 1.685 0 40 EDAB O=C(CCc1nc(-c2cccc(F)c2)no1)NCCN1CCOCC1 225801753 ZDLILOATCMQOOA-UHFFFAOYSA-N 348.378 1.257 0 40 EDAB C[C@H](C[S@](C)=O)NS(=O)(=O)c1c(F)c(F)cc(F)c1F 193829260 UFTREVXHBUTACO-BQLJRSNSSA-N 333.328 1.288 0 40 EDAB CCCS(=O)(=O)N1CCC2(CC1)C[C@H](Nc1ncccn1)CO2 96221669 RIOGYJBHBVTKGO-ZDUSSCGKSA-N 340.449 1.252 0 40 EDAB Cc1noc([C@H](C)NC(=O)N2CCN(c3ncccc3F)CC2)n1 331902163 WDZDKCHGTVBOAH-JTQLQIEISA-N 334.355 1.505 0 40 EDAB C[C@@H](CCc1cccc(F)c1)C(=O)N[C@H](C)C(=O)N1CCOCC1 96430764 QZFRGYMNCNYVEK-UONOGXRCSA-N 336.407 1.758 0 40 EDAB Cc1occc1C(=O)N1CCc2ncc(Cn3cncn3)n2CC1 96196995 PPPNDFXLOBMZKM-UHFFFAOYSA-N 326.360 1.123 0 40 EDAB Nc1nc(N2CCN(CC3CCCC3)C(=O)C2)cc(-n2cccn2)n1 92924833 OMASLOLKHYPGLB-UHFFFAOYSA-N 341.419 1.083 0 40 EDAB COc1ncnc2c1CN(C[C@@H](O)COc1ccc(C)cc1C)CC2 97202083 TYCQLOMVXSWNTR-OAHLLOKOSA-N 343.427 1.900 0 40 EDAB CC1(C)CCCN[C@H]1C(=O)NC1CCN(Cc2cccnc2)CC1 333316079 SUSHKDGALRMQIP-KRWDZBQOSA-N 330.476 1.940 0 40 EDAB O=S(=O)(c1cccs1)N1CC[C@@]2(C[C@H](n3cnnc3)CO2)C1 96219741 DCWDLRTYIXXEGX-WCQYABFASA-N 340.430 1.134 0 40 EDAB O=C([C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@H]21)N1CCCC1 96043321 YCSLPMSAGXACIP-FGTMMUONSA-N 329.444 1.931 0 40 EDAB CNC(=O)C[C@H]1C[C@H]2CN(Cc3ccc4ccccc4n3)C[C@H]2O1 96220472 HWHAFXVUJRAFRS-YXJHDRRASA-N 325.412 1.960 0 40 EDAB O=c1cc(CN2CCCC2)nc2n1CCCN(Cc1nccs1)C2 96059574 BHYAMYYUNJZSLE-UHFFFAOYSA-N 345.472 1.702 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@]3(C[C@H](CN4CCCC4)CO3)C2)c1 96228404 BRGPTFBYZZANJU-QAPCUYQASA-N 332.448 1.527 0 40 EDAB Cc1nnc(N2CCC[C@]3(CN(Cc4cccnc4)CCO3)C2)o1 96226646 WZDRSBXVVFWQJS-KRWDZBQOSA-N 329.404 1.644 0 40 EDAB Cc1cc(C)c(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)c(=O)[nH]1 96473419 SPLVINLZTVNEDH-HNNXBMFYSA-N 345.443 1.903 0 40 EDAB COC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccccc1Cl)C2 247898050 VGZVLLSTLDDSRJ-ZDUSSCGKSA-N 329.849 1.976 0 40 EDAB COc1cc(N2Cc3cncn3[C@@H](CNC(=O)CC3CC3)C2)ncn1 247876574 GYMGQTDFMPTMTC-AWEZNQCLSA-N 342.403 1.159 0 40 EDAB CN(CC(=O)N1CCOC[C@@H](Cc2cc(O)ncn2)C1)C1CCCC1 257287600 PQQQAJXCHDZVNZ-AWEZNQCLSA-N 348.447 1.074 0 40 EDAB Cc1n[nH]c(C)c1-c1nccnc1C[C@H]1CCN(S(C)(=O)=O)C1 257279483 OGWNBDPCHDXKRB-GFCCVEGCSA-N 335.433 1.308 0 40 EDAB COCC(=O)N1CCC[C@@](C)(c2cn3cccc3c(N(C)C)n2)C1 257244107 IJWLIQXZAYXASO-GOSISDBHSA-N 330.432 1.927 0 40 EDAB CN1CCC(N2CCC[C@H](Cc3cc(C(N)=O)ncn3)CC2)CC1 257317588 VKKHHNYSXDFWHJ-AWEZNQCLSA-N 331.464 1.314 0 40 EDAB O=C(CCn1cnc2ccccc21)N1CCO[C@@H](c2cnccn2)C1 257212326 CCVVHPRTOQZBJN-QGZVFWFLSA-N 337.383 1.817 0 40 EDAB COC(=O)/C=C/c1ccc(OCCN2C[C@H](CO)OC[C@@H]2C)cc1 584908638 AQVKCVOXURZQRE-YUSJOORSSA-N 335.400 1.333 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2S(=O)(=O)c2cccc(F)c2)n1 257203380 APTBZXALZNUDEO-ZDUSSCGKSA-N 325.365 1.619 0 40 EDAB C[C@H](NC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1)[C@H]1CCOC1 585088669 YPKJUNFEILMIIJ-QRFRQXIXSA-N 346.471 1.945 0 40 EDAB COc1ccccc1CCNC(=O)c1c(OC)cc(=O)n2c1CCC2 252492009 MAYRSTKNVBCVRH-UHFFFAOYSA-N 342.395 1.784 0 40 EDAB Cc1nc([C@@]2(C)CCCN(S(=O)(=O)N(C)C)C2)c2sccn12 257252800 JWEKETSSBFUQIO-AWEZNQCLSA-N 342.490 1.864 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)[nH]1 585114069 UKWZMEGAZCZXDB-CYBMUJFWSA-N 334.445 1.891 0 40 EDAB CCCCOc1ncccc1CNC(=O)[C@@H]1CN2CCC[C@H]2CO1 585120812 MXHLEXNBMKVIJJ-HOTGVXAUSA-N 333.432 1.740 0 40 EDAB CCc1ccccc1S(=O)(=O)NC[C@@H](CO)Cc1cnn(C)c1 585142360 UHTCPKNVYSWESW-AWEZNQCLSA-N 337.445 1.112 0 40 EDAB CCNC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253572592 QJDKVHJGPXIGAA-NXEZZACHSA-N 333.392 1.123 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)C2CCN(C(C)C)CC2)n1 257334158 YEUCPRSJRUDCQZ-MRXNPFEDSA-N 348.447 1.511 0 40 EDAB CN1C(=O)CO[C@H]2CCN(Cc3cnc(-c4ccccc4)nc3)C[C@@H]21 257203386 APUFLWXTIYXVFU-IRXDYDNUSA-N 338.411 1.575 0 40 EDAB C[C@@H]1CN(C2CCOCC2)CCN1c1cncc(-n2cccn2)n1 278748533 JGRILOSUMHOGDE-CQSZACIVSA-N 328.420 1.352 0 40 EDAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccnc1 36579957 VSPGSFSGLYHUES-YGRLFVJLSA-N 329.360 1.023 0 40 EDAB biogenic O=S(=O)(NCCc1nncs1)c1cnn(C2CCCC2)c1 1615585600 JLIJSPJJWQFEPA-UHFFFAOYSA-N 327.435 1.371 0 40 EDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(S(=O)(=O)C(C)C)C3)n1 575406090 VMCRQNUICHVSNA-CYBMUJFWSA-N 341.433 1.135 0 40 EDAB O=C(CC1(O)CCC1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 585108764 AKGPFNUHUXXNAB-BQFCYCMXSA-N 346.427 1.662 0 40 EDAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3ccc(N)nc3)[C@H]2O)cc1 585286512 ZEYHSYFXDDXAHQ-MZMPZRCHSA-N 341.411 1.921 0 40 EDAB Cc1ccccc1OC[C@]1(O)COCCN(Cc2c[nH]nc2C)C1 585275208 AHOBSUYHGLDKRO-GOSISDBHSA-N 331.416 1.669 0 40 EDAB Cn1nccc1C(=O)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 585100915 FWEIZXLWLIPGKI-SFHVURJKSA-N 339.399 1.474 0 40 EDAB COCCNC(=O)C[C@H]1CN(CC2CCOCC2)Cc2cccn2C1 585099037 FJUSWRXLOHMAJG-KRWDZBQOSA-N 349.475 1.499 0 40 EDAB CN(c1ccn(C)n1)S(=O)(=O)c1cc(O)cc(C(F)(F)F)c1 585140881 KWHWSCCWACQKKI-UHFFFAOYSA-N 335.307 1.970 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@](CO)(Cc2ccccc2F)C1 585275264 BLJHYOONANQOFF-QGZVFWFLSA-N 331.347 1.062 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)c1ccc(Br)o1 44298595 LTCALLMDZDFGPL-UHFFFAOYSA-N 325.166 1.852 0 40 EDAB C[C@@H](NC(=O)NCCCn1cncn1)c1ccc2c(c1)NC(=O)CO2 48739656 STSDQPUOUWRGFF-LLVKDONJSA-N 344.375 1.060 0 40 EDAB O=C(NCCCn1cncn1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 65390766 LAKUVSGAVSCPJN-HUUCEWRRSA-N 337.424 1.038 0 40 EDAB COC(=O)C[C@H](NS(=O)(=O)Cc1cc(C)no1)c1cccs1 72275133 UAEOIVQUGOENDL-NSHDSACASA-N 344.414 1.768 0 40 EDAB O=C1CCSC[C@H](C(=O)N2CCN(C3CCCCC3)CC2)N1 75171419 VJHJWHZMGUVKBD-CQSZACIVSA-N 325.478 1.085 0 40 EDAB COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCC1CCCCCC1 1615053632 NINDKDWLQGXNBJ-AWEZNQCLSA-N 345.461 1.536 0 40 EDAB Cc1ccc(Cc2nc(C(=O)N[C@H]3CC(=O)NC3=O)cs2)cc1 1615604609 AUPVAYIJLYYIJJ-NSHDSACASA-N 329.381 1.187 0 40 EDAB CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 1772820940 CZTDMYBULWVSPI-OLZOCXBDSA-N 333.436 1.864 0 40 EDAB O=C([C@@H]1CCCO1)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 12086281 RZXYFVWVHXXPJW-ZENOOKHLSA-N 339.395 1.491 0 40 EDAB CN1[C@@H](C(=O)N2CCCCCC2)C[C@@H](c2ccco2)NS1(=O)=O 12130082 IKYRSTFYKMEJQA-QWHCGFSZSA-N 341.433 1.262 0 40 EDAB COc1cc(CN2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc2c1OCO2 19285210 VPDJYYXAXWHITC-CYBMUJFWSA-N 343.383 1.805 0 40 EDAB CC1=N[C@@H](N2CCOCC2)[C@@H](N2CCOCC2)N1c1ccccc1 19329160 ASTAQVNKQQSKFG-ROUUACIJSA-N 330.432 1.242 0 40 EDAB C[C@@H](NC(=O)Cc1c[nH]c(=O)[nH]c1=O)c1cc2cc(Cl)ccc2o1 19458569 SCJLXYBWOIEOEZ-MRVPVSSYSA-N 347.758 1.883 0 40 EDAB CN(C)Cc1cc([C@@H]2CCCN2C(=O)c2ccc(N)nc2)nn1C 19710078 JPUOSTLMZISDAJ-HNNXBMFYSA-N 328.420 1.436 0 40 EDAB COc1cccc(CCC(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)c1 643585684 YZZQMOJEDMFHND-KYJSFNMBSA-N 337.416 1.420 0 40 EDAB Cc1nccc(OC2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)n1 585147044 WFGXVPNLFCGTPN-UHFFFAOYSA-N 343.387 1.448 0 40 EDAB Cc1c[nH]cc(Br)c1=NC(=O)COC[C@@H]1CCCO1 585125553 XCKLBARUCHFWOV-JTQLQIEISA-N 329.194 1.709 0 40 EDAB Cn1cnc(C(=O)N2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)n1 1614937176 JAWZSFCYSWUANO-QGZVFWFLSA-N 343.362 1.223 0 40 EDAB CCOC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 19530520 USGXYXAUEOMHMM-KRWDZBQOSA-N 331.372 1.114 0 40 EDAB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)C1=COCCO1 4107181 QYVNUBZXJAZGOM-UHFFFAOYSA-N 331.284 1.335 0 40 EDAB COc1cc(CSc2ncc(CO)n2CC(N)=O)cc(OC)c1 9827661 INWAAWCHQUAKRR-UHFFFAOYSA-N 337.401 1.170 0 40 EDAB O=C(Cc1cccs1)NCCn1nc(-c2ccncc2)ccc1=O 11744580 CFYPQDKRADRICO-UHFFFAOYSA-N 340.408 1.726 0 40 EDAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)C(=O)NC1CCCC1 17178593 COAXAXGHDKQYTG-KRWDZBQOSA-N 345.443 1.235 0 40 EDAB CSCC[C@@H](O)CNC(=O)C(=O)NCc1ccc(Cl)cc1 1775967089 DZRCGSXYMNNOLF-GFCCVEGCSA-N 330.837 1.186 0 40 EDAB CCNc1nc(OC)nc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 100165383 KDBVTAKAPQQXEC-RYUDHWBXSA-N 342.403 1.097 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N1CC(Oc2nccs2)C1 208033218 VXVQOTQHFZQJTA-UHFFFAOYSA-N 344.389 1.743 0 40 EDAB Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3c(C)noc3C)C2)nn1 225431434 VKLWRFINIPAPBY-GFCCVEGCSA-N 338.389 1.232 0 40 EDAB COC(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(OC)c2)CC1 43941821 OCXHVJQZBGKMRZ-UHFFFAOYSA-N 349.387 1.228 0 40 EDAB C[C@H](C(=O)Nc1ccccc1C(N)=O)n1nc(C2CC2)ccc1=O 575620378 QGQOULASBNCEMQ-SNVBAGLBSA-N 326.356 1.419 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)c2n[nH]c3ccccc23)cc1 5902535 BXRNDLFAQHSZOW-UHFFFAOYSA-N 344.396 1.183 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)Nc3c[nH]ccc3=O)CC2=O)c1 40088198 PHFJCSWNDWMJHW-NSHDSACASA-N 327.340 1.375 0 40 EDAB NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1ccc(C(=O)O)cc1 40490167 RDZXBEXMLHWVKZ-HNNXBMFYSA-N 325.324 1.119 0 40 EDAB COc1ccc(OCCCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 40467501 OEFZNTTZTNGNTG-CYBMUJFWSA-N 341.429 1.500 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)NCc3ccco3)cn2)CCO1 40539897 SFZUQNQDVGDDFM-ZDUSSCGKSA-N 330.388 1.899 0 40 EDAB CS[C@H](C)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 40525085 RSOLBIZEUYZJFO-GFCCVEGCSA-N 332.433 1.062 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N2CCCC2=O)cc1 40549013 ZTFJIMLUXNXEHE-TZMCWYRMSA-N 329.400 1.539 0 40 EDAB CNc1snc(C)c1C(=O)NC[C@H](C)N1C[C@H](C)O[C@H](C)C1 40512365 NAOIRFABDUNPPT-GARJFASQSA-N 326.466 1.721 0 40 EDAB O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 31998407 CAZHEUKNUODNNJ-UHFFFAOYSA-N 349.387 1.367 0 40 EDAB O=C(CSc1n[nH]c(=O)n1C1CC1)NCc1ccc(Cl)cc1 8212190 PIEAFAHCPGAJJS-UHFFFAOYSA-N 338.820 1.968 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CCN(c2nccs2)CC1 31942902 QXBIBENFHPWEIE-UHFFFAOYSA-N 341.400 1.081 0 40 EDAB COc1ccc(CN(C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1F 45654097 KDAZOSQEDGBTEY-LBPRGKRZSA-N 344.408 1.410 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)c1 69350331 MRPTYKCUDBNOSS-CQSZACIVSA-N 339.413 1.663 0 40 EDAB CC(C)CN1C(=O)C[C@H](N2CCN(c3ccc(F)cc3)CC2)C1=O 101130785 LTCRYLPTXHAORO-INIZCTEOSA-N 333.407 1.731 0 40 EDAB Cc1cn(CC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c2ccccc12 51470004 KFWHAWBZIAINQJ-CVEARBPZSA-N 327.428 1.929 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccoc3)cn2)CCO1 45876763 GIRJGRNGMVNITK-CYBMUJFWSA-N 330.388 1.899 0 40 EDAB CCc1ccccc1CNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101233221 QHEYZWGJIWDJTD-DFEHZGFQSA-N 338.407 1.672 0 40 EDAB C[C@@H](CO)[C@@H](C)N1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2C 2288015 NROOBIQMBJYJAU-OZVIIMIRSA-N 329.400 1.496 0 40 EDAB O=C(NC1CCN(CCc2ccncc2)CC1)N1CCC[C@@H](CO)C1 69697135 PDLSOOGJFPDYBU-QGZVFWFLSA-N 346.475 1.502 0 40 EDAB CCOC(=O)C1=C(C)N(N)C(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 6205965 RSSLNZIEOGRSAT-LBPRGKRZSA-N 336.373 1.537 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)CCO)c2)cc1 6362240 DPONHEKYPVXDTB-UHFFFAOYSA-N 348.424 1.860 0 40 EDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N1CCC[C@@H](C)C1 29509994 QROKUYVFNAMXSL-LLVKDONJSA-N 343.431 1.636 0 40 EDAB CC(C)CNC(=O)[C@H](C)S(=O)(=O)Cc1noc(CC(C)C)n1 46163651 PQFPMPGVQUONPI-NSHDSACASA-N 331.438 1.344 0 40 EDAB CC(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O 2015202 IVMIEKMLDYZRFB-VIFPVBQESA-N 349.124 1.129 0 40 EDAB in-vitro CCCCNC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 8390817 GSGYAPMODZIRBM-UHFFFAOYSA-N 325.372 1.499 0 40 EDAB O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 32912367 RNFATVDOXINBGM-KCJUWKMLSA-N 330.203 1.599 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)NC(=O)NC1CCCC1 32909252 SNEFEMWPWUJKFL-UHFFFAOYSA-N 334.401 1.617 0 40 EDAB CCN(CC)[C@@H](CNC(=O)CS(=O)(=O)CC(C)C)c1ccco1 69737388 WHUNUBVXHZUMSD-AWEZNQCLSA-N 344.477 1.850 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 107195589 RWCVJYKRYDPYLW-HNNXBMFYSA-N 336.395 1.613 0 40 EDAB O=C(CN1[C@H]2CC[C@H]1CC(O)(c1ccccn1)C2)NCc1ccco1 100161987 IKVHPMLDZNFLQI-GJZGRUSLSA-N 341.411 1.805 0 40 EDAB O=C(Cc1cn2ccsc2n1)Nc1ccc2c(c1)NC(=O)CO2 23342356 NPRKZSKZWYBQPL-UHFFFAOYSA-N 328.353 1.908 0 40 EDAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN1CCN(CCO)CC1)C2 101214072 JQKJIGNTIRURCN-YWTNHNAXSA-N 340.508 1.189 0 40 EDAB O=C(c1ccco1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108528056 JYYDRGOGCIISHV-HOTGVXAUSA-N 327.384 1.790 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(C2CC2)no1 12521881 HYANSGTVRKFSJY-UHFFFAOYSA-N 348.428 1.760 0 40 EDAB O=C(CCc1nc(-c2ccccn2)no1)N1CCO[C@H]2CCC[C@H]21 56197874 OIXMRUIYTVIVGY-KGLIPLIRSA-N 328.372 1.844 0 40 EDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)COc2ccccc2C)C1 57318975 JHLZNQFQBAHQLI-CVEARBPZSA-N 348.443 1.764 0 40 EDAB CS(=O)(=O)CCCN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107519837 TYALWUIBMISJHN-SJORKVTESA-N 338.473 1.006 0 40 EDAB O=C(CNc1ccc2nnc(-c3ccccc3F)n2n1)N1CCCC1 57137303 BRZWPCOTBMLQOU-UHFFFAOYSA-N 340.362 1.965 0 40 EDAB CC1=CC(=C2C(=O)NC(=S)N=C2O)C=C(C)N1C[C@@H]1CCCO1 57478253 BOGLUBCFDUKOFO-LBPRGKRZSA-N 333.413 1.956 0 40 EDAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 20150393 NLZNOCHSXSJILW-PFHKOEEOSA-N 334.372 1.257 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(CN2CCCCC2)o1 27979469 AXLVJGOYZAUBIV-LBPRGKRZSA-N 326.418 1.182 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N(CCOC)C2CC2)cc1 58268479 PEAQGDPSDUBEPT-UHFFFAOYSA-N 327.402 1.663 0 40 EDAB COC(=O)c1ccc2c(=O)n(CCCOCC3CC3)c(=O)[nH]c2c1 24842252 DQAWBMLAHUEBME-UHFFFAOYSA-N 332.356 1.293 0 40 EDAB NC(=O)c1ccc(OCC(=O)N2CCC(n3cccc3)CC2)cc1 58357482 XFLBPXQXDURAQD-UHFFFAOYSA-N 327.384 1.830 0 40 EDAB Cc1cc(=O)c(C(=O)NO[C@H]2CCCCO2)nn1-c1ccccc1 58412897 BRBMZNQDVFRBHG-HNNXBMFYSA-N 329.356 1.729 0 40 EDAB Cc1c(C(=O)NCCCS(C)(=O)=O)oc2c1C(=O)CC(C)(C)C2 58424256 PMLMBWQHQDKSSE-UHFFFAOYSA-N 341.429 1.908 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 12638910 APYIKLRDEKBZQK-ZIAGYGMSSA-N 347.342 1.727 0 40 EDAB Cc1nc(CCNC(=O)CCS(=O)(=O)C2CCCC2)cs1 48112808 UECGDFCNXXUEJP-UHFFFAOYSA-N 330.475 1.858 0 40 EDAB Cc1nnc(CSc2nnc(-c3cccs3)n2CC(N)=O)o1 12780506 HMVVBAHBUVCKKZ-UHFFFAOYSA-N 336.402 1.476 0 40 EDAB Cc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)c(C)n1 48280145 RFYKITSUFIQKIE-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB COc1cc(CNC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)ccn1 48326486 MGUFWXMXMRFJJM-LBPRGKRZSA-N 341.367 1.521 0 40 EDAB COC(=O)[C@@H](C)CN(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 48311057 YBTRJLGKYSSBFA-LBPRGKRZSA-N 344.433 1.305 0 40 EDAB CC(C)N1CC[C@@]2(Cc3nc(=O)c(C(=O)NCC4CC4)cn3C2)C1 306134074 NDAUWGZFAWPTKS-GOSISDBHSA-N 330.432 1.040 0 40 EDAB COc1ccc(F)cc1CN1CCN(c2ncccc2C(N)=O)CC1 12862656 FVRFIPYQFVPWNX-UHFFFAOYSA-N 344.390 1.650 0 40 EDAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1nc2nccc(C)n2n1 12804160 OIYXSJAOTKJVAJ-GFCCVEGCSA-N 339.355 1.925 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3nc(N)c4ccccc4n3)CCO2)c1 69463896 YVTLPFMBBHYFQI-CQSZACIVSA-N 338.415 1.618 0 40 EDAB COc1ccc(COC[C@@H](O)CN2CCc3cncnc3C2)cc1 69810329 YOKVDVJEOZXVJP-INIZCTEOSA-N 329.400 1.421 0 40 EDAB COCCNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 48560574 JSJGUIQYZREAPF-UHFFFAOYSA-N 326.784 1.044 0 40 EDAB Cc1ncc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)s1 63542040 SSPSMZHYCATLRP-AWEZNQCLSA-N 327.475 1.389 0 40 EDAB CC[C@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 4064961 WDOUZMRSHAVKKA-ZDUSSCGKSA-N 333.340 1.632 0 40 EDAB biogenic C[C@@H](Cn1ccnc1)NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 69917529 PTIHAUUUJFAVAL-GXTWGEPZSA-N 336.461 1.480 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N[C@H]1CCOc3ccccc31)CC2 69948534 LOLLBTUFPDVLQR-HIFRSBDPSA-N 341.415 1.131 0 40 EDAB CCN1CCN(CCCNC(=O)N2CCc3sccc3C2)CC1 65443951 GONWQDPVWLJCEI-UHFFFAOYSA-N 336.505 1.843 0 40 EDAB CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)n[nH]c1=O 14134769 MRBAKORFLNJUCW-UHFFFAOYSA-N 338.389 1.298 0 40 EDAB COc1ccc(NC(=O)NCCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 14138360 OLSMPVJKYNGATE-CHWSQXEVSA-N 335.404 1.843 0 40 EDAB CCc1c(C(=O)Nc2ccn(CCOC)n2)cnn1-c1ccccn1 65623598 KVQXIGOWKQJIAY-UHFFFAOYSA-N 340.387 1.925 0 40 EDAB CN(CC(=O)NC(C)(C)C)c1ccc2nnc(C(F)(F)F)n2n1 14267969 QHIBAMDVEPDYIA-UHFFFAOYSA-N 330.314 1.494 0 40 EDAB Cc1noc(Cl)c1CCC(=O)NCCc1nnc2ccccn12 66042225 VRFYAQQSEKUQAH-UHFFFAOYSA-N 333.779 1.971 0 40 EDAB CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC)cc2C)C1 66219359 WKBMEUZCFHROAU-CYBMUJFWSA-N 347.415 1.317 0 40 EDAB Cn1cc(CN2CCC(Oc3ccc(F)cc3)CC2)c(=O)n(C)c1=O 92661085 SQCLCFSDJZGSFQ-UHFFFAOYSA-N 347.390 1.267 0 40 EDAB CCOCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 6928424 JGNYXTFENVHCHA-UHFFFAOYSA-N 340.445 1.173 0 40 EDAB COc1cc([C@H]2NC(=O)c3ccccc3N2C)ccc1OCC(N)=O 19356517 XUEUGVVIMKCNFT-KRWDZBQOSA-N 341.367 1.438 0 40 EDAB Cc1ccc(C2(O)CCN(C(=O)CCc3cc(=O)[nH]o3)CC2)nc1 67434131 PGXFICWJMSNYMB-UHFFFAOYSA-N 331.372 1.114 0 40 EDAB COc1cc(C(=O)O[C@H]2CCOC2=O)cc(OC)c1Br 7269347 JGDWVXUGPBPVLS-QMMMGPOBSA-N 345.145 1.939 0 40 EDAB COC(=O)CNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F 71185035 KRJYOCAWKUIBOA-UHFFFAOYSA-N 346.240 1.328 0 40 EDAB COc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)c(O)c1 7396559 LUAZBYNZUCWFDN-UHFFFAOYSA-N 329.308 1.514 0 40 EDAB CCN(CC)C(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 15843143 NIGJTHDUGDITDB-UHFFFAOYSA-N 338.429 1.871 0 40 EDAB Cn1c(CCNC(=O)[C@@H]2COc3ccc(F)cc3C2)n[nH]c1=S 90552220 WATAXLZKEQNNOV-JTQLQIEISA-N 336.392 1.527 0 40 EDAB OCCN(CCO)c1ccc2nnc(-c3ccccc3Cl)n2n1 9134632 SCZIQADCDHDGFL-UHFFFAOYSA-N 333.779 1.236 0 40 EDAB COc1cc(C(=O)N2CCC[C@@H](C)C2)cc(OC)c1OCC(N)=O 16642447 MZVVZDZCWBPIRF-LLVKDONJSA-N 336.388 1.440 0 40 EDAB CC(C)Cn1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)cn1 96005762 PEMIIVADNWGVNK-KGLIPLIRSA-N 327.450 1.577 0 40 EDAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)C1CC1 9419490 JOMVEZWSLTVZMA-LBPRGKRZSA-N 331.250 1.116 0 40 EDAB O=C(NCCCCC(F)(F)F)NCC1CCS(=O)(=O)CC1 96484987 KNSGUVHNTFTJOJ-UHFFFAOYSA-N 330.372 1.843 0 40 EDAB c1cnnc(N2CCC[C@@H]2CNCc2cnc(N3CCCC3)nc2)c1 71877256 OIXQCBAMAITDQL-MRXNPFEDSA-N 339.447 1.625 0 40 EDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1nccn1Cc1ccccc1 71850394 NZANZWRXWNATFK-ZDUSSCGKSA-N 347.440 1.513 0 40 EDAB Cn1cc(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)ccc1=O 71894209 JPIHLVCIQTVFGV-ZDUSSCGKSA-N 345.786 1.574 0 40 EDAB C[S@@](=O)CCCNC(=O)C(C)(C)c1ccc2c(c1)OCCO2 71896503 IKNPPIUUEZAHRZ-QFIPXVFZSA-N 325.430 1.620 0 40 EDAB C[C@H](CNC(=O)CCOc1ccccc1Cl)N1CCN(C)CC1 71867410 TYHNSKOLEYGAIJ-CQSZACIVSA-N 339.867 1.861 0 40 EDAB CC(C)S(=O)(=O)[C@H](C)C(=O)N1CCC(Nc2cccnn2)CC1 71863417 ZGMNTRUCMGSMFS-GFCCVEGCSA-N 340.449 1.091 0 40 EDAB CCCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccccc1 71921245 ZBRVWHXSBHQPMM-ZBFHGGJFSA-N 334.416 1.286 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)nc2n1 72282703 JSPJKOCKZQWWMB-GFCCVEGCSA-N 325.376 1.484 0 40 EDAB Cc1cc(C)cc(C[C@H](C)NC(=O)CCS(=O)(=O)N(C)C)c1 97032202 UUEIFQWKFAUMTG-AWEZNQCLSA-N 326.462 1.632 0 40 EDAB Cc1cnc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cn1 84258180 RSPATMJYVMUIIZ-ZWKOTPCHSA-N 338.411 1.510 0 40 EDAB CC(C)Cc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1 97221432 TXWBDEFLVHPECO-UHFFFAOYSA-N 326.462 1.184 0 40 EDAB CC1(C)CN(S(=O)(=O)N2CCc3ccccc3C2)CC[S@@]1=O 89919666 PJQYILLPROEXPB-OAQYLSRUSA-N 342.486 1.132 0 40 EDAB Cn1nnc(-c2cccc(NC(=O)CCc3nc4ncccc4[nH]3)c2)n1 72402904 UVQJMKZBDGPQKG-UHFFFAOYSA-N 348.370 1.720 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)c2ccnc(N3CCCC3)n2)no1 76043805 ZEBDFOKQWFJSOY-ZDUSSCGKSA-N 328.376 1.746 0 40 EDAB C[C@H](CNC(=O)C(F)(F)c1ccccc1)CN1CCN(C)CC1 95397201 PUHYNMYUGUDLBK-CQSZACIVSA-N 325.403 1.778 0 40 EDAB CC[C@@H]1CN(C(=O)Cc2c(C)noc2Cl)C[C@H]1N1CCOCC1 84735889 VWQOVFQCWMQXKX-TZMCWYRMSA-N 341.839 1.748 0 40 EDAB Cc1nn(C)c(C)c1C(=O)C(=O)NCC1([C@@H](O)c2ccccc2)CC1 95434560 HVOFEELZVFDRJL-KRWDZBQOSA-N 341.411 1.850 0 40 EDAB Clc1cnc(N2CCC(OCCN3CCOCC3)CC2)nc1 95406836 BDIMOKZTPRCVMP-UHFFFAOYSA-N 326.828 1.448 0 40 EDAB Cc1nn(-c2ccccc2)c(N)c1C(=O)N[C@@H](C)c1nncn1C 95455138 JUNRJWLNHKBLRF-NSHDSACASA-N 325.376 1.382 0 40 EDAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NCCc1nnc2n1CCC2 95437020 GOXYMQOTDSSMSQ-CYBMUJFWSA-N 343.431 1.745 0 40 EDAB Cc1cc([C@@](C)(O)CNC(=O)CNC(=O)c2cccs2)c(C)o1 78939916 HJUSJNADZABNCR-INIZCTEOSA-N 336.413 1.712 0 40 EDAB CNC(=O)c1ccc(N2CCN(c3cccc(C)n3)C[C@H]2C)nn1 78967052 MMVHIAFISMDBFY-CYBMUJFWSA-N 326.404 1.255 0 40 EDAB CS(=O)(=O)CCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F 89484319 RGAAIJSIIJIWLM-NSHDSACASA-N 338.351 1.504 0 40 EDAB O=C(C[C@@H]1Cc2c(O)nc(O)nc2NC1=O)Nc1ccc(Cl)cc1 1548338327 IQWBMZANCDGTRR-ZETCQYMHSA-N 348.746 1.681 0 40 EDAB C[C@@H](NC(=O)Nc1c[nH]nc1-c1nccs1)[C@H]1CN(C)CCN1C 1548606542 KUBNFLPSEXVAFB-ZYHUDNBSSA-N 349.464 1.289 0 40 EDAB Cn1ccc(C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)c1 408030566 ZVUXEPHYNTUNII-UHFFFAOYSA-N 333.413 1.447 0 40 EDAB CN1C(=O)C[C@@H](CNCc2ccc3c[nH]nc3c2)[C@@H]1c1nccn1C 515681139 NVQVJUZOXMFADS-WMLDXEAASA-N 338.415 1.606 0 40 EDAB Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc(C(N)=O)c1 529113746 FGBBOTKEIKLJEX-XMQCVEROSA-N 335.429 1.611 0 40 EDAB COc1ccccc1[C@H]1CCCN1C(=O)COCc1nncn1C 550223910 LZTNBDKXCKEWPZ-CQSZACIVSA-N 330.388 1.704 0 40 EDAB COc1cccc([C@H](CC(=O)O)NC(=O)c2ccc(=O)n(C)c2)c1 531749018 GYVMUMPAJZQYKX-AWEZNQCLSA-N 330.340 1.340 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCCO 217428387 GPBUOUFJDOQJJJ-JTQLQIEISA-N 330.406 1.256 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)NCC(=O)Nc1cccc2cccnc12 187058239 RCLYFPWKJWLTCC-UHFFFAOYSA-N 337.383 1.872 0 40 EDAB C[C@](O)(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1 75170625 ZTVZHFGFBMKLLP-AWEZNQCLSA-N 331.340 1.885 0 40 EDAB Cc1cccc2nc(C(=O)N3CCN(C4=NC[C@H](C)S4)CC3)cn12 73117781 GIDIFZIXWJZICA-ZDUSSCGKSA-N 343.456 1.892 0 40 EDAB Cc1nccn1-c1cncc([C@@H]2CCCN2CC(=O)N2CCCC2)n1 72378732 YHQFBMMXDUTRKB-INIZCTEOSA-N 340.431 1.730 0 40 EDAB CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1 79412481 WLFVBOYDDVNHIO-MRXNPFEDSA-N 333.432 1.983 0 40 EDAB C[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1nccs1 79001461 MFEJIJVPCQPSFP-GFCCVEGCSA-N 331.445 1.781 0 40 EDAB Cc1cc(Nc2ncccn2)nc([C@H]2CCCN2C(=O)CN(C)C)n1 72360070 ZJCUGIZUHGBLNV-CYBMUJFWSA-N 341.419 1.544 0 40 EDAB COCCNc1cc([C@@H]2CN(Cc3cnc[nH]3)CCO2)nc(C)n1 72387725 WDHRRUZWTJLHOX-HNNXBMFYSA-N 332.408 1.140 0 40 EDAB C[C@H]1CN(C[C@H](O)Cn2nc(-c3ccccc3)ccc2=O)C[C@@H](C)O1 71825117 BUGXATROIKSUJR-UXLLHSPISA-N 343.427 1.380 0 40 EDAB O=C(NCc1ccccc1)Nc1nc2c(s1)CS(=O)(=O)CC2 569092960 GJKSVWOLANFJTH-UHFFFAOYSA-N 337.426 1.936 0 40 EDAB CN(CCCN1C(=O)CNC1=O)Cc1ccc(Br)cc1 44979178 YNADFNHSVJGKHU-UHFFFAOYSA-N 340.221 1.823 0 40 EDAB O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1cccc2[nH]ccc12 84838784 UUYZODBHXSIDJU-UHFFFAOYSA-N 347.440 1.854 0 40 EDAB COCCNS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 223684675 HGNMTWLDOBTDDV-UHFFFAOYSA-N 346.474 1.928 0 40 EDAB O=C(NC[C@@H]1CN(C2CC2)CCO1)c1nn[nH]c1-c1ccccc1 194190583 UDVHACUTFQUJNV-CQSZACIVSA-N 327.388 1.065 0 40 EDAB CCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCCN1CCOCC1 222751227 BAWRKBUGWPVHJQ-MRXNPFEDSA-N 347.459 1.262 0 40 EDAB C[C@H](Nc1nccn2cnnc12)C1CCN(CC(F)(F)F)CC1 582160071 KPDXYYBJPULFQV-JTQLQIEISA-N 328.342 2.199 0 40 EDAB Cc1occc1C(=O)N1CC[C@@]2(CC(C(=O)NCC(C)C)=NO2)C1 96225455 WOPSKTGETKQWLP-QGZVFWFLSA-N 333.388 1.721 0 40 EDAB COC[C@H]1CN(S(=O)(=O)C2CC2)Cc2ncn(CC3CC3)c21 96060301 BGCFWAMPBKDEGO-GFCCVEGCSA-N 325.434 1.331 0 40 EDAB COc1cccc(CC(=O)N2CCOC[C@]3(CN(C)C[C@H]3C)C2)c1 96202374 GMQVPJBUAZXYLM-BEFAXECRSA-N 332.444 1.664 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)nn1-c1ccccc1 96452996 CGOUHJCYHMZZOI-LSDHHAIUSA-N 326.400 1.955 0 40 EDAB CCN(Cc1ccccn1)S(=O)(=O)c1cccc(CC(=O)O)c1 578753683 CGCHPFQPBDCIAE-UHFFFAOYSA-N 334.397 1.920 0 40 EDAB CCC[C@H]1CN(C(=O)[C@H]2CNCc3ccccc32)CCN1CCOC 579715254 VKOQVDLKKZBMJU-HKUYNNGSSA-N 345.487 1.833 0 40 EDAB CN1CCC(C(=O)NC[C@@H]2OCCc3cn(CC4CC4)nc32)CC1 96044393 VGTXUPUYYFNVOU-INIZCTEOSA-N 332.448 1.365 0 40 EDAB O=C(c1cccnc1)N1CC[C@@H]2CO[C@@H](CNc3ncccn3)[C@@H]2C1 96064363 ZACPMPFWLCJKNO-OAGGEKHMSA-N 339.399 1.461 0 40 EDAB CC(C)c1ccc(CCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 580903514 UZVGVGNLOQUDCI-HUUCEWRRSA-N 325.430 1.017 0 40 EDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2cccs2)cn1 96186507 VJSYZZHLZGCWKP-CHWSQXEVSA-N 330.413 1.892 0 40 EDAB Cc1ccc(CNS(=O)(=O)c2cccc(-c3nnnn3C)c2)s1 96427739 IINPPZBGLRMVSI-UHFFFAOYSA-N 349.441 1.726 0 40 EDAB CN(C)C[C@H]1OC[C@@H]2CN(S(=O)(=O)Cc3ccccc3)CC[C@@H]21 96185252 JAVKLXWTJPRCGF-YESZJQIVSA-N 338.473 1.415 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1ccncc1 96070099 MVZNFWGQJORZEU-CABCVRRESA-N 349.412 1.050 0 40 EDAB Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 96430732 FMESYMWTBMMNFO-FUHWJXTLSA-N 338.407 1.820 0 40 EDAB O=C(COC[C@@H]1C[C@@H]2OCCN(Cc3ccco3)[C@@H]2C1)N1CCCC1 247745151 QWFUVKSXAADZAZ-JQHSSLGASA-N 348.443 1.898 0 40 EDAB CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(C)nc2c1cnn2C 585083972 HCAWNKVRVYLSOI-LBPRGKRZSA-N 345.403 1.627 0 40 EDAB CCCCS(=O)(=O)N1CC[C@H](CNc2ncnc(CC)c2F)C1 585080298 BJPCJOYDSWQNRO-GFCCVEGCSA-N 344.456 2.042 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1ccc(OCCN2CCCC2)cc1 257204491 AUWGTDHHPOUGRV-KZNAEPCWSA-N 348.443 1.165 0 40 EDAB C[C@H](CC(=O)N(C)[C@@H]1CS(=O)(=O)C[C@H]1O)Cc1cccc(F)c1 585128003 PCPXARYVKLSWRE-NILFDRSVSA-N 343.420 1.011 0 40 EDAB Cc1cccc(C(=O)N2CC[C@H](O)[C@@H](N(C)C3CCOCC3)CC2)n1 257227975 FRVUNUPGIKOHAX-ROUUACIJSA-N 347.459 1.466 0 40 EDAB CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)Nc2ccnn2C)n1 585119930 AJVFPXBDPXOJOD-SNVBAGLBSA-N 349.395 1.624 0 40 EDAB O=C(Nc1ccc(C2CC2)nn1)N1CCC[C@H](c2nc(O)n[nH]2)C1 585119373 FJFIEPJUROJCDN-JTQLQIEISA-N 329.364 1.589 0 40 EDAB CCc1cc(C(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)on1 257252993 JXCYFKMWRIMWHO-GOSISDBHSA-N 344.415 1.736 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c2cnn(C(C)C)c2n1 40477581 ZGEIOGCKGAODES-LLVKDONJSA-N 336.417 1.238 0 40 EDAB O=C(CCCN1CCCCCC1)N1CC[C@](O)(CN2CCCC2)C1 257309908 UCXADTWJGWFXPZ-IBGZPJMESA-N 337.508 1.702 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)C3CCOCC3)CC2)cn1 257204772 AWFLVWOKCVKSMD-UHFFFAOYSA-N 346.475 1.746 0 40 EDAB COc1ccccc1C(=O)NC1CCN(c2nc(C)cc(O)n2)CC1 253537220 DLBOUWFGXGPLCD-UHFFFAOYSA-N 342.399 1.898 0 40 EDAB Cc1cnc([C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)s1 257219044 DFKSOLFBLNTFHB-LBPRGKRZSA-N 331.463 1.208 0 40 EDAB O=C(CC1CCOCC1)N1CCC(c2cc(O)n3nccc3n2)CC1 257304271 SKVMLENBMNCBGF-UHFFFAOYSA-N 344.415 1.958 0 40 EDAB COc1ccc(C(=O)N2CCO[C@@H](c3nc(C)cc(O)n3)C2)cc1F 257290759 QEEZCRXGZYJOTB-CQSZACIVSA-N 347.346 1.852 0 40 EDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2cnn(C)c2)nc1 257288344 PTVQIYRBEVJELY-MRXNPFEDSA-N 327.388 1.429 0 40 EDAB C[C@@H](NC(=O)c1ccc(NC(=O)[C@@H](C)n2cccn2)cc1)C(=O)O 262973941 OWHBCOKETAXPPJ-GHMZBOCLSA-N 330.344 1.286 0 40 EDAB Cc1csc([C@H]2COCCN2C(=O)COCc2ccnn2C)n1 285096560 WHSSUAJIRRZMNF-CYBMUJFWSA-N 336.417 1.302 0 40 EDAB CCn1cc(C(=O)N2CCO[C@H](C(F)F)C2)c(-c2cnn(C)c2)n1 606443017 LNYREORRQVAGPS-LBPRGKRZSA-N 339.346 1.410 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)N3CC[C@@H]4[C@@H]3CCCN4C)cc12 1615572401 SQTJUPXKMMGLHJ-CABCVRRESA-N 328.420 1.977 0 40 EDAB O=C(NCC(=O)N1CCC(Oc2ccccn2)CC1)c1ccccc1 96024653 OXQMOQMRXKYELF-UHFFFAOYSA-N 339.395 1.881 0 40 EDAB COc1ncc(CN2CC[C@@](O)(COc3ccccc3C)C2)cn1 585275366 AWIVTQHDTOVADJ-SFHVURJKSA-N 329.400 1.809 0 40 EDAB COCc1nnc2n1CCN(C(=O)c1nn(C)c3ccccc13)[C@H]2C 585096747 CAJGLQXDDCNZDG-NSHDSACASA-N 340.387 1.528 0 40 EDAB COCCC(=O)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1 585096767 COGGXKARLQPKEI-ZDUSSCGKSA-N 342.390 1.362 0 40 EDAB O=S(=O)(CCC1CCOCC1)NCCOc1cncc(Cl)c1 585142585 ZKYWAAWQAVXXFE-UHFFFAOYSA-N 348.852 1.850 0 40 EDAB O=C(C1CC(O)C1)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 585100886 YAXUEDUGTLWVBR-WINAAZSOSA-N 332.400 1.381 0 40 EDAB Cc1ccccc1OC[C@]1(O)COCCN(C(=O)c2cnc[nH]2)C1 585277856 YMDAVEPYKRUXDM-QGZVFWFLSA-N 331.372 1.001 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)NCCOc2ccc3c(c2)CCC3)C1 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CN([C@H]1CCCN(c2nccn3nccc23)C1)S(=O)(=O)C1CC1 2086886957 JEGJZHBSNGAMPJ-LBPRGKRZSA-N 335.433 1.122 0 40 EDAB Cc1csc(C(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)c1 44003532 GYSNYVYNGKCFCY-UHFFFAOYSA-N 342.486 1.991 0 40 EDAB CN1CCN([C@@H](c2ccc(F)cc2)c2sc3ncnn3c2O)CC1 22031260 WMPHJINAYRNBLU-ZDUSSCGKSA-N 347.419 1.972 0 40 EDAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1cccnc1 206228748 ARPCNKAJJQYENL-OAHLLOKOSA-N 336.351 1.891 0 40 EDAB COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CC(C)(C)OC2 20100224 IPXVLDDTERYBTI-SNAWJCMRSA-N 339.369 1.965 0 40 EDAB O=C(OCc1ccccc1)C1=NN[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100165675 MINMHOUNGOUDNR-GJZGRUSLSA-N 349.346 1.247 0 40 EDAB CN(C)C(=O)CN1CCN(C(=O)CCCOCc2ccccc2)CC1 50552590 POGBYGOZGHWDON-UHFFFAOYSA-N 347.459 1.216 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)CCCOc2ccc(F)cc2)CC1 40490120 ZFDXFAFZGQGRSL-UHFFFAOYSA-N 344.408 1.089 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)CCC3)CCO1 50852615 RJWWZEYTTBSYPC-HNNXBMFYSA-N 325.368 1.050 0 40 EDAB 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COc1ccc(/C=C/C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 29207820 LXTWZSOCXBYTIZ-DNGMOHDESA-N 338.429 1.249 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 32469401 YRFFEOUFHYQLRF-LBPRGKRZSA-N 338.429 1.236 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)NCc2ccc(-n3cncn3)nc2)C1 45927361 VZTJHGYLSOGMFL-CQSZACIVSA-N 343.435 1.193 0 40 EDAB COc1ccc(-c2nnn(CC(=O)NCc3cccs3)n2)cc1 4213589 BZYOZAYWOGBBEX-UHFFFAOYSA-N 329.385 1.727 0 40 EDAB Cn1ncc2c(N3CCCN(C(=O)c4ccccc4)CC3)ncnc21 29531687 MACFRSWEGBYOLU-UHFFFAOYSA-N 336.399 1.716 0 40 EDAB CN1N=C(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)CCC1=O 32836869 IWNILYDHIDXPBS-UHFFFAOYSA-N 339.355 1.198 0 40 EDAB COc1ccccc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1 2652395 HGXHCZRJBQFWNK-UHFFFAOYSA-N 343.339 1.981 0 40 EDAB Cc1cccc(C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 32914960 LREVTGQJEPQKRN-OKILXGFUSA-N 340.445 1.164 0 40 EDAB O=C(c1c[nH]cn1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@@H]2CC1 107255190 UPCWQWBJRPFEDQ-SJORKVTESA-N 341.415 1.310 0 40 EDAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cn[nH]c1)C2=O 58503254 QFUCFFZRXLMUSU-UHFFFAOYSA-N 347.419 1.875 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)C2=NN(c3ccccc3)C(=O)CN2)o1 42080723 GOIWMRWZRVMNNR-GFCCVEGCSA-N 326.356 1.715 0 40 EDAB C[C@]1(NC(=O)c2cncc(Br)c2)CCS(=O)(=O)C1 42200143 OEDGKLGKADUSRA-NSHDSACASA-N 333.207 1.151 0 40 EDAB Cn1nc(CC(=O)N(C[C@H]2CCOC2)C2CC2)c2ccccc2c1=O 46936223 GGSSULPUDLMURY-CYBMUJFWSA-N 341.411 1.504 0 40 EDAB NC(=O)CC1CCN(C(=O)NC2CCN(c3ccccn3)CC2)CC1 46939071 BJAHZEQKQJYHJA-UHFFFAOYSA-N 345.447 1.347 0 40 EDAB CC(=O)N[C@H](CC(=O)N[C@H](C)Cn1ccnc1)c1ccc(C)cc1 42534665 BEMZOLATKLIHDR-RHSMWYFYSA-N 328.416 1.964 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)C1CCN(C(=O)c2ccoc2)CC1 42533454 GZORLZLBHKEFKL-CYBMUJFWSA-N 330.388 1.533 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NC[C@H]1CCCOC1 100217348 QJERQAMBAUMZLB-WFTYINRHSA-N 342.395 1.617 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCn1cc(S(=O)(=O)N(C)C)ccc1=O 47368698 NMXSHJSLINNUEG-HIFRSBDPSA-N 342.461 1.694 0 40 EDAB Cc1ccc([C@@](O)(CCNC(=O)N2CCOCC2)C(F)(F)F)o1 42758393 OYMHPTPVYYLSFX-ZDUSSCGKSA-N 336.310 1.770 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)c1cncc(C)c1)CC2 108534514 LINXGKZGJPYCJS-UHFFFAOYSA-N 345.443 1.881 0 40 EDAB O=C(NCCc1cnn(-c2ccccc2)c1)NCCN1CCOCC1 47618265 KMKLPCRITJNYEC-UHFFFAOYSA-N 343.431 1.046 0 40 EDAB COc1ccc(NC(=O)C2(NS(C)(=O)=O)CCCCC2)cc1 57181704 HAOMXLJRYJPQCS-UHFFFAOYSA-N 326.418 1.886 0 40 EDAB Cc1noc(C)c1CN1C[C@@H]2CCN(c3cnn(C)c3)C(=O)[C@H]2C1 107802931 CBHZPXCVQQMGKM-BBRMVZONSA-N 329.404 1.510 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O 55453259 WFVJIYQFXMFHSE-GOEBONIOSA-N 343.427 1.657 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)c1cc(N2CCC[C@H]2CO)ncn1 106905810 ULCFLICTJORNQE-AWEZNQCLSA-N 342.399 1.803 0 40 EDAB Cc1cc(C)n2ncc(C(=O)N3CCN(c4cnccn4)CC3)c2n1 25344450 QZNOXEXHSMKTIX-UHFFFAOYSA-N 337.387 1.099 0 40 EDAB C[C@@H](O)CNCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1 22075856 VZYUJVSWUFXTOD-CQSZACIVSA-N 337.464 1.040 0 40 EDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 57280314 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0 40 EDAB O=C(NCCNS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 12763510 CETVTKIMHCZVGD-UHFFFAOYSA-N 336.388 1.675 0 40 EDAB NC(=O)CCS(=O)(=O)CCNC(c1ccccc1)c1ccccc1 12795411 UJNGQAGLSVVWIZ-UHFFFAOYSA-N 346.452 1.656 0 40 EDAB COc1cccc([C@@H](NC(=O)N2CCC(O)CC2)c2nccn2C)c1 48355623 JOKDYYNGTXCIFZ-MRXNPFEDSA-N 344.415 1.684 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cccn2Cc2ccccc2)CC1 70040945 IHSDBBBBMDAPDQ-INIZCTEOSA-N 327.428 1.675 0 40 EDAB CCc1nnsc1C(=O)N1CCC(N(C)c2ccc(C)nn2)CC1 69700376 PSXLGBCNBMMVRN-UHFFFAOYSA-N 346.460 1.940 0 40 EDAB COC(=O)c1ccc(CNC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1 12995120 QBYXSCFZIUJEGP-UHFFFAOYSA-N 343.383 1.422 0 40 EDAB COCCCNC(=O)Cn1nc(-c2ccccc2OC)ccc1=O 5000580 QWWZZSQVUMPSAT-UHFFFAOYSA-N 331.372 1.072 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)c3sc(C)nc3C)CC2)n1 69560123 PGTFCLVZZZXMDH-UHFFFAOYSA-N 347.444 1.911 0 40 EDAB O=C(N[C@@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccccc1 39614610 WPXPRJVFLONKAC-INIZCTEOSA-N 336.347 1.954 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)CCNC(=O)Cc1cccc(F)c1 69819227 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CCc1ccc2c(COC(=O)C3=NNC(=O)CC3)cc(=O)oc2c1 6619864 YBDYYTZEQBTCFH-UHFFFAOYSA-N 328.324 1.665 0 40 EDAB O=C([C@H]1CCCCN1C(=O)c1ccc(F)c(F)c1)N1CCOCC1 66485124 ZROPYHYNCMEZBK-OAHLLOKOSA-N 338.354 1.818 0 40 EDAB CS(=O)(=O)N(CCCC(=O)NCc1cccnc1)c1ccccc1 4973697 ODAQLSUSYPTJBV-UHFFFAOYSA-N 347.440 1.944 0 40 EDAB Nc1nccnc1C(=O)OCC(=O)c1csc(N2CCCCC2)n1 5937731 GUTWMEDOHUPKKY-UHFFFAOYSA-N 347.400 1.545 0 40 EDAB O=C(CN1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1)C1CC1 80337001 XXWYNOZACIKGHW-UHFFFAOYSA-N 338.411 1.814 0 40 EDAB Cc1cc(C(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)[nH]n1 68467906 PKJJZHLUFRERTF-UHFFFAOYSA-N 336.436 1.502 0 40 EDAB Cc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCCO2)CC1 16378936 KQTNZYFIQSEYFE-DOTOQJQBSA-N 345.443 1.645 0 40 EDAB Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C(C)C)CC3)C2=O)n(C)n1 96002480 GEGBZPKGUFVIOK-OAHLLOKOSA-N 347.463 1.024 0 40 EDAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCCOCCO 96003228 YGUNYOCRXDFCTB-UHFFFAOYSA-N 329.780 1.169 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 110619356 UKBHLDLPLUCJEQ-WZGPROSRSA-N 343.471 1.881 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 89830070 QDVLWETWOFKRPW-NEPJUHHUSA-N 335.347 1.711 0 40 EDAB COC(=O)c1cc(C(=O)c2ccccc2O)cc(C(=O)OC)c1O 9458385 GUWNIPJWRCDQGY-UHFFFAOYSA-N 330.292 1.902 0 40 EDAB CC(C)c1noc(CCNC(=O)NCC[S@@](=O)C(C)(C)C)n1 96408906 LDTUYXWDOCGTHR-QFIPXVFZSA-N 330.454 1.582 0 40 EDAB CN1CC[C@@H](N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)C1=O 110621274 WRQZTHDLZXHPDM-DGCLKSJQSA-N 346.349 1.608 0 40 EDAB CC(C)(CC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)c1ccccc1 71896329 LWCLTRQRWXQZGR-CQSZACIVSA-N 338.473 1.881 0 40 EDAB Cc1cc(C)n(CC(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)n1 71893515 QOEXLCNWRFDDES-INIZCTEOSA-N 326.400 1.764 0 40 EDAB CCc1nccn1[C@@H]1CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 72234635 GTRFQOMUSNOUFR-CQSZACIVSA-N 343.431 1.552 0 40 EDAB CCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1cnn(C)c1 71914655 UUZOACLVCPIOLP-UHFFFAOYSA-N 337.401 1.812 0 40 EDAB NC(=O)COc1ccc(NC(=O)CNC(=O)CCC2CCCC2)cc1 72282664 CALBZRGTELZYTD-UHFFFAOYSA-N 347.415 1.576 0 40 EDAB COc1cc(C)ccc1OCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269042 OQIDJXNBVTVHPY-HZPDHXFCSA-N 348.443 1.440 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@H](c2noc(C)n2)C1 72231758 YNHOYTSMJISRNU-ZDUSSCGKSA-N 346.387 1.818 0 40 EDAB Cc1cc(C)n2nc(CC(=O)N3CCC[C@H](c4ccn[nH]4)C3)nc2n1 72283040 JNFIVVLBWGVVRS-ZDUSSCGKSA-N 339.403 1.413 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H](C)S(=O)(=O)C(C)C 72234114 CVDBKOCNVZMEEZ-UONOGXRCSA-N 341.477 1.912 0 40 EDAB Cc1ccccc1OCC(=O)N1CCN(C[C@H](O)C(F)(F)F)CC1 97141605 UVJTXCYAEYYBKA-AWEZNQCLSA-N 346.349 1.441 0 40 EDAB CNC(=O)CCNC(=O)CCc1cc(F)ccc1Br 97107258 YMBSJURPZKZZRJ-UHFFFAOYSA-N 331.185 1.773 0 40 EDAB COc1ncnc2c1CN([C@@H](C)C(=O)Nc1nc(C)c(C)s1)CC2 97201864 ZZUPYEJVXPZKNO-JTQLQIEISA-N 347.444 1.944 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCCCNC2=O)c(C)n1-c1cccnc1 95365027 LQJXSQSJGFFBPO-INIZCTEOSA-N 326.400 1.888 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc2nn[nH]c2c1 95434475 VFTMCEOMOQIWIL-LLVKDONJSA-N 326.364 1.768 0 40 EDAB O=C(NCc1ccco1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 95426014 IFCQGEQYQHTDKQ-SJLPKXTDSA-N 343.427 1.962 0 40 EDAB CN(CCc1ccncc1)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 95400497 WZKHYXFSJDDWIQ-LJQANCHMSA-N 339.439 1.984 0 40 EDAB Cc1ccc(NC(=O)N[C@@H](C)c2cnn(C)c2)cc1-n1nnnc1C 95403902 RPDWAXPQWGGHRV-NSHDSACASA-N 340.391 1.895 0 40 EDAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ncnn1C 95403729 OKANJZIPEUBEID-WFASDCNBSA-N 329.404 1.276 0 40 EDAB Cn1cc(N2CCC[C@@H](Nc3ccc4c(c3)oc(=O)n4C)C2=O)cn1 98014370 YAUCJPKJZGPFKF-CYBMUJFWSA-N 341.371 1.473 0 40 EDAB O=C(c1c(Cl)nc2ccccn12)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78789092 ILZYYEPVECVKJI-OLZOCXBDSA-N 348.834 1.659 0 40 EDAB CC(C)[C@H](O)C1(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 95988236 JNVFBVQKGYTOAH-DOMZBBRYSA-N 326.462 1.782 0 40 EDAB COC[C@H](O)CNC(=O)c1c[nH]c2cccc(Br)c12 95979198 IKWKNBMKIOSJJO-MRVPVSSYSA-N 327.178 1.668 0 40 EDAB Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccccc1F 95980153 HKNAQBKEIPGLOA-ZDUSSCGKSA-N 339.392 1.928 0 40 EDAB CN(C)[C@H](C(=O)NCCN1CCOCC1)c1c(F)cccc1Cl 78869452 IBQUKKQSGAHSIG-HNNXBMFYSA-N 343.830 1.530 0 40 EDAB CN(Cc1ccco1)C(=O)CN1CCNC(=O)C[C@H]1c1ccccc1 89363705 KASFOMSIQUNBEF-KRWDZBQOSA-N 341.411 1.801 0 40 EDAB O=C(NCCNC(=O)C1CCCCC1)c1[nH]ncc1Br 75137149 IKAVWOFOOAQNQM-UHFFFAOYSA-N 343.225 1.599 0 40 EDAB CCCNC(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C 75138090 VKKRYHDZUYHEOO-OLZOCXBDSA-N 340.468 1.380 0 40 EDAB Cn1cc(CN2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)cn1 306128232 GUWGRAPPIFDADX-INIZCTEOSA-N 328.420 1.186 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)c2cccc(-n3cccc3)c2)C1 62303468 JPJKEEOHSQARJN-OAHLLOKOSA-N 347.440 1.631 0 40 EDAB CC(C)n1cc(CN2C[C@H]3OC[C@@H](CN4CCCC4=O)[C@H]3C2)cn1 306138908 SKORRBCHLJMVQS-BRWVUGGUSA-N 332.448 1.533 0 40 EDAB CN(C)C[C@H]1CN(C(=O)Cc2ccccc2F)Cc2ccnn2C1 306137656 RCNDDKXDGOHRBU-AWEZNQCLSA-N 330.407 1.785 0 40 EDAB CC(=O)Nc1nc(CN2CC3(CCOCC3)CC[C@@H]2CO)cs1 528639725 LOIXPUWJXZOIOD-CQSZACIVSA-N 339.461 1.855 0 40 EDAB C[C@H]1CN(C(=O)NCc2nc(COc3ccccc3)n[nH]2)[C@@H](C)CO1 185903351 CMRYSNZTHLGMEC-STQMWFEESA-N 345.403 1.703 0 40 EDAB Cc1sc(O)nc1C(=O)NCc1cccc(C(=O)NC2CC2)c1 521396291 IHDLVSRHRNLBNA-UHFFFAOYSA-N 331.397 1.979 0 40 EDAB C[C@@H](O)CN(C[C@H](O)COC12CC3CC(CC(C3)C1)C2)C[C@@H](C)O 35590863 WEZRROLMUUBMCC-ABUUNCLJSA-N 341.492 1.396 0 40 EDAB COc1ccc(S(=O)(=O)NCCC2CCN(C)CC2)cc1OC 120956111 MONIGSCVQQOHOY-UHFFFAOYSA-N 342.461 1.714 0 40 EDAB CNc1ccc(C[C@@H]2CCCN(Cc3cnc(NC)nc3)C2)nn1 72369274 RNPHSXXNERAOHS-ZDUSSCGKSA-N 327.436 1.805 0 40 EDAB O=C(NCCNc1ccc(Nc2ccccn2)nn1)c1ncccn1 62021847 UMOGTPUGFUVSHG-UHFFFAOYSA-N 336.359 1.247 0 40 EDAB Cn1cccc(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1=O 70639904 CUEMDMFICDXQOJ-CYBMUJFWSA-N 340.301 1.868 0 40 EDAB COc1ccc(C[C@@]2(c3ccccc3)NC(N)=NC2=O)cc1OC 71975665 JBJUOQGLWLRTET-SFHVURJKSA-N 325.368 1.586 0 40 EDAB CN1CCC[C@@H](c2cccc(CCC(=O)NCC3(C)COC3)n2)C1 72360570 ZDHYFRXIPROKTP-OAHLLOKOSA-N 331.460 1.976 0 40 EDAB CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Br)cc1C 42646378 HXJADFZNCJKUPT-JTQLQIEISA-N 329.194 1.583 0 40 EDAB COc1ncccc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 49544407 DQYXMCKFAFTDAZ-UHFFFAOYSA-N 334.420 1.454 0 40 EDAB O=C(NCc1nccn1CCc1ccccc1)[C@@H]1CCCS1(=O)=O 567518217 JSZMOGGHVRUQIB-HNNXBMFYSA-N 347.440 1.319 0 40 EDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)Cc3ccccc3F)C2)nn1 225447356 COHOZYPLJQJUTO-CQSZACIVSA-N 344.390 1.904 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)c1 49706006 UKWIHPFJSVLFGB-UHFFFAOYSA-N 339.413 1.807 0 40 EDAB Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)cc1 608018655 FXZVAARMVDYAIZ-UHFFFAOYSA-N 337.445 1.043 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)c2cc(N3CCCC3)ncn2)cc1 225536994 BCEFHUPQQVCBSX-UHFFFAOYSA-N 346.412 1.733 0 40 EDAB COc1cc(C(=O)N(CCC(=O)O)C2CCOCC2)ccc1F 574110643 HMVWTMLYGQXXPG-UHFFFAOYSA-N 325.336 1.930 0 40 EDAB O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1c(F)c(F)c(F)c(F)c1F 138786399 QMCJUFVZYPZBEC-GUCUJZIJSA-N 331.196 1.825 0 40 EDAB COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Cl 225495558 DEDSTKQKXQCDEX-SECBINFHSA-N 333.793 1.584 0 40 EDAB O=C(C1CCOCC1)N1CCc2ncnc(NC3CCC3)c2CC1 96255796 RVAYHHMQFPFSPI-UHFFFAOYSA-N 330.432 1.795 0 40 EDAB CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)c3ccccn3)CC2)CO1 96224974 GUAWQVLZDFARRA-AWEZNQCLSA-N 346.431 1.412 0 40 EDAB Cn1cc(CN2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@H]3C2)cn1 96043272 CLAYGVRCDAMPIH-UAGQMJEPSA-N 341.415 1.433 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)Nc1cn[nH]c1 96431270 XSRLDHPLSDVKPO-CQSZACIVSA-N 328.420 1.742 0 40 EDAB CCCc1nnc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)s1 96345581 MIPCEVAGWQKUFV-UHFFFAOYSA-N 347.444 1.955 0 40 EDAB CC(C)c1cc(C(=O)NC[C@H]2CCCO2)nc(N2CCOCC2)n1 96100973 VHAVXQQGNVFLSM-CYBMUJFWSA-N 334.420 1.345 0 40 EDAB Cc1noc(CCCNC(=O)C(=O)Nc2ccc(Cl)cc2F)n1 96413584 IKDMZTMFTRULQC-UHFFFAOYSA-N 340.742 1.858 0 40 EDAB CC(C)[C@@H](N)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 95426473 PGWIGBGAZJURKJ-MRXNPFEDSA-N 337.851 1.537 0 40 EDAB O[C@@H]1C[C@H](c2cccc(F)c2)N(c2cc(N3CCOCC3)ncn2)C1 582800957 GEJWZTIMRXCEQQ-HZPDHXFCSA-N 344.390 1.765 0 40 EDAB COc1ccc(CN2CCn3c(nnc3CN3CCCC3=O)C2)cc1 96058898 HMLUCABJHNBLFN-UHFFFAOYSA-N 341.415 1.425 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 96055523 LSTTYXZMVPDAAM-HYVNUMGLSA-N 346.427 1.893 0 40 EDAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2C(=O)c2cnccn2)cn1 96200700 MCKRIBHBAOETED-IRXDYDNUSA-N 341.415 1.463 0 40 EDAB c1cnc(NCc2cncc3c2CCN(C[C@H]2CCOC2)C3)nc1 96067446 KAEWLTBXFFLALA-CQSZACIVSA-N 325.416 1.878 0 40 EDAB Cc1cccn(CC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1=O 583621347 UASFATIIIXKISK-JKSUJKDBSA-N 330.359 1.630 0 40 EDAB COCCN(C)c1cnn([C@H]2CCCN(Cc3ccco3)C2)c(=O)c1 583618198 KROQKMURPOQOBZ-HNNXBMFYSA-N 346.431 1.756 0 40 EDAB CS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 96098095 CVXWEQAGMAYJJK-NSHDSACASA-N 337.319 1.844 0 40 EDAB O=C1NC2(CCN(C(=O)c3cscn3)CC2)C[C@@H]1c1cccnc1 96069579 TVZAORGGUDGKTG-CYBMUJFWSA-N 342.424 1.817 0 40 EDAB O=C(CO[C@H]1CCOC2(C1)CN(Cc1ccccn1)C2)N1CCCC1 247750838 VQHLIDKXLGDWPB-KRWDZBQOSA-N 345.443 1.454 0 40 EDAB CC1(C)CCN(C(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)CCS1(=O)=O 249050850 XKNIRKZCYJHIIQ-CYDGBPFRSA-N 326.462 1.640 0 40 EDAB Cc1ncsc1C(=O)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257257055 KNXHFDXRPGLHPP-LBPRGKRZSA-N 334.401 1.421 0 40 EDAB CNc1ncccc1CN1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257231681 GHVDBOUSKCFFQA-LBPRGKRZSA-N 349.460 1.630 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2S(=O)(=O)c2ccc(F)c(F)c2)n1 257309479 UBBQSVJKSKKVOP-ZDUSSCGKSA-N 343.355 1.759 0 40 EDAB CC(=O)N1CC[C@H](CNS(=O)(=O)c2cc(F)cc(Cl)c2)C1 585115046 KCTKGFVNSJEHQJ-SNVBAGLBSA-N 334.800 1.626 0 40 EDAB COC[C@H](NC(=O)NCc1cnc(Br)cn1)C1CC1 585136991 BOPSOIWYPBMGAX-JTQLQIEISA-N 329.198 1.463 0 40 EDAB CCN(c1cccnc1)S(=O)(=O)c1cnn(C)c1Br 585129598 PAFABPITFJDGEY-UHFFFAOYSA-N 345.222 1.793 0 40 EDAB CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ncn(C(C)(C)C)n1 585113900 SPEBNTRZHAWCAP-CQSZACIVSA-N 349.479 1.749 0 40 EDAB CC(=O)N1CCC(N2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)CC1 257212288 CCRKJECRYODJHP-LJQANCHMSA-N 346.475 1.840 0 40 EDAB Cn1cc(-c2cncc(CC3CCN(S(C)(=O)=O)CC3)n2)cn1 257340321 ZFMYPKPGHRSILA-UHFFFAOYSA-N 335.433 1.091 0 40 EDAB CO[C@@H](C)CS(=O)(=O)NCCC(=O)Nc1ccc(C)cc1Cl 252500290 SRJOOEOOBBNRAC-NSHDSACASA-N 348.852 1.931 0 40 EDAB CNCCOc1ccc(C(=O)N2C[C@H](OC)[C@]3(CCCO3)C2)cc1 257328004 XDTDSXVZUGAVIS-WMZOPIPTSA-N 334.416 1.305 0 40 EDAB O=C(c1n[nH]c2c1CCC2)N1CCOC[C@H](Cc2ccncn2)C1 257219195 DFYZAOAEJQWJEL-GFCCVEGCSA-N 327.388 1.020 0 40 EDAB Cc1cccc(C(=O)N2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)n1 257254524 KDMBKRLYPXERAZ-LLVKDONJSA-N 334.401 1.146 0 40 EDAB CNC(=O)c1cc(C[C@@H]2CCCN(Cc3cscn3)C2)ncn1 257208043 BKKIMIWJTIYGLZ-LBPRGKRZSA-N 331.445 1.747 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](n2nccn2)C1 253472266 LDAHILTZDCMBGR-GFCCVEGCSA-N 326.809 1.876 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1ccc2[nH]cnc2c1 257297037 RFNHXMLJPAMQGM-DJIMGWMZSA-N 328.416 1.671 0 40 EDAB C[C@H](NC(=O)c1ccc(NC(=O)CC2CCOCC2)cc1)C(=O)O 262824009 ATACLOQLGRMIIM-NSHDSACASA-N 334.372 1.645 0 40 EDAB CCOC(=O)c1ccc(CS(=O)(=O)N(C)c2ccn(C)n2)cc1 450993803 AVWJSPDOUPPONH-UHFFFAOYSA-N 337.401 1.563 0 40 EDAB O=C(NCc1nn[nH]n1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 600494702 IRKJIZTWADQXCD-UHFFFAOYSA-N 345.366 1.982 0 40 EDAB COc1cccc(O)c1S(=O)(=O)NCc1cn(C2CCC2)nn1 1615547535 BCQVYHTYWGQFNQ-UHFFFAOYSA-N 338.389 1.196 0 40 EDAB CO[C@@H]1CNC[C@@H]1NC(=O)Cc1cccc(OCC(F)(F)F)c1 1615629080 AOUQXJCLANSDNH-QWHCGFSZSA-N 332.322 1.273 0 40 EDAB Cc1cccc(C(=O)N2CC3(C[C@H](OCC(=O)N(C)C)CS3)C2)c1 575404210 QXSOYDSJCWSVEJ-HNNXBMFYSA-N 348.468 1.800 0 40 EDAB Cn1cccc1C(=O)NC[C@@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1 575405072 RJJMRQZBLLDHBR-AWEZNQCLSA-N 345.443 1.563 0 40 EDAB CNC(=O)[C@@H]1CN(C(C)C)CCN1C(=O)c1cccc(N(C)C)c1 585168399 REPLRZBIDCHHHU-INIZCTEOSA-N 332.448 1.033 0 40 EDAB CC(C)CC(=O)N1Cc2cncn2[C@@H](C(=O)NCc2cccnc2)C1 585096113 RYQIZVQEZMYJTR-MRXNPFEDSA-N 341.415 1.524 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2ccn(-c3ccc(F)cc3)n2)C[C@@H](C)O1 41806992 HHRLMSCEAYTTLU-ZIAGYGMSSA-N 346.406 1.850 0 40 EDAB O=S1(=O)CC[C@H](CNS(=O)(=O)c2ccc(Cl)s2)C1 44457600 PJAHQIIRWFOZTH-SSDOTTSWSA-N 329.852 1.115 0 40 EDAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)CCn2cncn2)cc1 48912752 VXMRXXBFBQBGGR-CYBMUJFWSA-N 329.404 1.513 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)/C=C/c2c(F)cccc2F)CC1 52051077 NNFKHJXUQRGTQO-VOTSOKGWSA-N 344.383 1.472 0 40 EDAB CCCN1CCC(CNC(=O)c2cccnc2OCCOC)CC1 69416627 RUPMGKYMEYUHSQ-UHFFFAOYSA-N 335.448 1.959 0 40 EDAB O=C(NS(=O)(=O)c1cc(Cl)sc1Cl)[C@@H]1COCCO1 69641949 CIJBJQLRMLAFAZ-YFKPBYRVSA-N 346.213 1.275 0 40 EDAB Cc1cnn([C@@H](C)[C@@H](C)NCCNS(=O)(=O)c2ccccc2)c1 69706154 RWPWIKQIMBJSTR-CABCVRRESA-N 336.461 1.709 0 40 EDAB C[C@H](NC(=O)Nc1ccccc1S(C)(=O)=O)C(=O)NC(C)(C)C 69737415 BLLHQNXVKKFXKP-JTQLQIEISA-N 341.433 1.515 0 40 EDAB COc1ccc(CNC(=O)[C@H]2CCC(=O)N2)cc1OC1CCCC1 69978524 NJIMVMNLPLVUAK-CQSZACIVSA-N 332.400 1.911 0 40 EDAB Cc1nsc(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)n1 269934951 DVCZCPDHTREWSY-UHFFFAOYSA-N 330.339 1.982 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(Br)c(F)c1 195578130 MTQSGKMXXUVTPL-CABZTGNLSA-N 332.169 1.696 0 40 EDAB CCOc1cc(S(C)(=O)=O)ccc1NC(=O)C[C@H]1CCCO1 1615586084 HXUWHTHTMLGDON-LLVKDONJSA-N 327.402 1.996 0 40 EDAB CCc1nn(CC(=O)N2CCCCC2)c(=O)c2cc3occc3n12 5149338 NQVXQEJSVCHNHK-UHFFFAOYSA-N 328.372 1.817 0 40 EDAB COc1ccc(CCNC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1OC 5918304 PSAOHKALWYJJHB-VRKREXBASA-N 349.383 1.241 0 40 EDAB Cc1ccccc1C(=O)N[C@@H](C(=O)O[C@H](C)C(=O)NC1CC1)C(C)C 14185232 WVXRNKDQHOBOBQ-CZUORRHYSA-N 346.427 1.960 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)c1 16322859 DDRMCBUHUIBIIB-UHFFFAOYSA-N 344.433 1.239 0 40 EDAB C[C@@H](C(=O)O)N1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 19080806 KEBNDKCJMGAHFD-APPDUMDISA-N 332.356 1.033 0 40 EDAB C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(Cl)cc1F 150941293 ZDYFTBUVIUJCFI-KOLCDFICSA-N 337.800 1.951 0 40 EDAB CCC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 11694036 MJOIQGSAHYJESY-UHFFFAOYSA-N 333.363 1.649 0 40 EDAB CC(=O)OC(C)(C)C(=O)NCC1CCN(c2ncc(F)cn2)CC1 252508959 XZJDTTJFOHMPIX-UHFFFAOYSA-N 338.383 1.290 0 40 EDAB CC(C)S(=O)(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 19451022 CXVLCEGQFZSSJL-UHFFFAOYSA-N 338.429 1.382 0 40 EDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1cc(C3CC3)on1)C2 585150394 VAMCVSRPHCJVCR-LBPRGKRZSA-N 327.388 1.695 0 40 EDAB COC(=O)c1ccccc1NC(=O)Cn1c(CO)nc2ccccc21 5186253 YYVUUQSOSORBEL-UHFFFAOYSA-N 339.351 1.954 0 40 EDAB CC(C)c1noc(CN2CCC(c3nn(C)c(=O)n3C3CC3)CC2)n1 1888860408 ZTALQANCZQFGEF-UHFFFAOYSA-N 346.435 1.803 0 40 EDAB O=S(=O)(N[C@H]1CCCN(Cc2cc(C3CC3)on2)C1)C1CC1 1889118457 XVTXIGSOBGRILC-LBPRGKRZSA-N 325.434 1.598 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)CCNC(=O)c2cccc(C)c2)C1 22407646 NPAYAMHKELWJBU-MRXNPFEDSA-N 346.427 1.917 0 40 EDAB COC(=O)c1ccccc1OS(=O)(=O)c1ncn(C)c1Cl 27932869 MZUGMFZPPZEPGS-UHFFFAOYSA-N 330.749 1.628 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccccc3Cl)C2)n1 1775985867 FAQLHBCLEIGACB-UHFFFAOYSA-N 331.803 1.906 0 40 EDAB CS(=O)(=O)c1ccc(CCC(=O)NCCCc2cnoc2)cc1 238849211 JBEWOYHGKGCDNW-UHFFFAOYSA-N 336.413 1.760 0 40 EDAB CC(C)N1CCO[C@@H]2CN(C(=O)c3cc(F)ncc3F)CC[C@H]2C1 1565548297 XHFVIZIIAUNEKW-SWLSCSKDSA-N 339.386 1.931 0 40 EDAB O=C(COC(=O)c1cncc(Br)c1)NCc1ccco1 3234828 DUAUOJQXHWAIOC-UHFFFAOYSA-N 339.145 1.910 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCc3onc(C(=O)NCC4CC4)c3C2)no1 2055745692 UWYNEDNSYYSHIY-LLVKDONJSA-N 344.371 1.398 0 40 EDAB O=C(/C=C\c1cccs1)NCCn1c(O)nc2ncccc2c1=O 575610045 SSIPJJVDQKZDSU-WAYWQWQTSA-N 342.380 1.388 0 40 EDAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)c1ccccc1F 225805272 SCJIUZQFRKCELU-UHFFFAOYSA-N 333.344 1.320 0 40 EDAB COCCNC(=O)NC1CCN(c2nc(C)nc3c2CCCC3)CC1 225739704 ZEBOUEUJFLTTFC-UHFFFAOYSA-N 347.463 1.578 0 40 EDAB Cn1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)cc1=O 40068289 HSSUPBAKFZULLR-UHFFFAOYSA-N 339.395 1.438 0 40 EDAB CC[C@](C)(CNC(=O)c1cnn(-c2ccccc2)n1)N1CCOCC1 40089360 MZBQUMLGEDTFNI-GOSISDBHSA-N 343.431 1.498 0 40 EDAB CCOC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1 62781 KXLYGVCUBQFBET-OAHLLOKOSA-N 348.355 1.429 0 40 EDAB COc1cc(CN[C@@H](C)[C@H]2CCCO2)cc(Cl)c1OCC(N)=O 30908466 HSGMVLUDZOHUHK-GXFFZTMASA-N 342.823 1.870 0 40 EDAB Cc1noc(CS(=O)(=O)CCC(=O)N[C@H](C)c2ccccc2)n1 40528680 AWXFDNFNWQHFBE-LLVKDONJSA-N 337.401 1.560 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 40505383 RMGJVXDPWMAQNZ-AWEZNQCLSA-N 342.399 1.883 0 40 EDAB O=C1COc2ccccc2N1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 40553821 VHLLHYJSXYHDHK-DZGCQCFKSA-N 330.384 1.582 0 40 EDAB CNC[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 40597525 QMIBGMVXYRVXFD-NSHDSACASA-N 332.853 1.969 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H]3CCC(=O)N3)cc2)n1 40534262 LUEHEWSELYCLHI-MRXNPFEDSA-N 326.400 1.426 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)CN3CCSC3=O)cn2)n1 40510924 AWHKFLFZTZWKNK-UHFFFAOYSA-N 331.401 1.991 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1sccc1C 45509381 VDXRXGDAVPCHJR-GFCCVEGCSA-N 330.475 1.877 0 40 EDAB CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](Cc3ccccc3)C2)CC1=O 81444745 XLJSFRBQXLKWMT-ROUUACIJSA-N 343.471 1.488 0 40 EDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(Cl)nc1 31941405 QEGCAZGFKBONQW-HNNXBMFYSA-N 341.864 1.673 0 40 EDAB Cc1c(CC(=O)NCCCC(=O)O)c(=O)oc2c(C)c(O)ccc12 2157317 VASAPJDDSRUIFH-UHFFFAOYSA-N 333.340 1.639 0 40 EDAB biogenic CCOCCCNC(=O)CN(c1ccccc1C)S(C)(=O)=O 2179152 BDQDOLXVSRICME-UHFFFAOYSA-N 328.434 1.304 0 40 EDAB Cc1ccc(S(=O)(=O)NNc2nnc(C(C)(C)C)c(O)n2)cc1 4225056 KQAJOLGBKTUZPL-UHFFFAOYSA-N 337.405 1.489 0 40 EDAB COC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4385909 PVTJDUYZYJQGNC-DDUZABMNSA-N 345.399 1.410 0 40 EDAB Cc1ccc([C@@H]2C[C@@H]2C(=O)NCCN2CCS(=O)(=O)CC2)s1 101642699 UIXAZIRQWVIJPG-OLZOCXBDSA-N 342.486 1.007 0 40 EDAB CCCCCNC(=O)CN(c1ccccc1OC)S(C)(=O)=O 6597123 FXVJKLPONYLSSW-UHFFFAOYSA-N 328.434 1.768 0 40 EDAB CN1C[C@@H](C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)CC1=O 46321718 MJCWXXFMYALNRY-INIZCTEOSA-N 326.400 1.368 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCCNc2ccccc2)C1=O 69618851 OIVNKXGOYZQJMI-GOSISDBHSA-N 344.415 1.325 0 40 EDAB CN(Cc1nnc2n1CCC2)S(=O)(=O)c1cc(F)cc(F)c1 32876313 MRDAYEDGCMBIMB-UHFFFAOYSA-N 328.344 1.323 0 40 EDAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1C[C@H]1CCCO1 488304 ZDVIUYCBJXVZSX-PXAZEXFGSA-N 339.395 1.442 0 40 EDAB biogenic O=C(Cc1cnn(-c2ccccc2)n1)N1CCC[C@@H](n2ccnc2)C1 69657028 LFYQJPFCJLCRML-QGZVFWFLSA-N 336.399 1.870 0 40 EDAB CCN(C(=O)Cn1cnnn1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 69625798 GJZIXEKGFVRCHG-GOEBONIOSA-N 328.420 1.357 0 40 EDAB O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2cccnc2)CC1 33089799 IHRBRCGULRVNHP-UHFFFAOYSA-N 349.387 1.367 0 40 EDAB CN1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 101274066 RCEPXRWZPFXGLP-GFCCVEGCSA-N 342.226 1.873 0 40 EDAB NC(=O)CN(CC(=O)NCCc1c(F)cccc1F)C1CCCC1 52844103 IUSUVWGBKKXYIC-UHFFFAOYSA-N 339.386 1.353 0 40 EDAB CCCNC(=O)CN1CCN(c2ncnc3sc(C)c(C)c23)CC1 57681898 DTLBCYCCSILPSG-UHFFFAOYSA-N 347.488 1.956 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCCc1ccncc1 100217179 KLHNRSQOPPVSNH-TWOQFEAHSA-N 349.390 1.828 0 40 EDAB Cc1cc(CN2CCN(c3ncc(C(N)=O)cc3Cl)CC2)on1 47087727 HBEMJPWZUOHLCJ-UHFFFAOYSA-N 335.795 1.453 0 40 EDAB C[C@@H](C(N)=O)N1CCN(Cc2ccc(Br)s2)CC1 22820370 MQYIJXALYGMWEI-VIFPVBQESA-N 332.267 1.502 0 40 EDAB O=C(Cn1cnc2ccccc21)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101404238 XNMJSOQSWWZZKP-HUUCEWRRSA-N 348.406 1.844 0 40 EDAB CC(C)[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 22839991 HSECXAZOPAOWHZ-OLZOCXBDSA-N 332.400 1.971 0 40 EDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCO2)c1 3169600 XBJLLCWTRYLANA-AWEZNQCLSA-N 340.445 1.626 0 40 EDAB O=C(CN1CCC[C@H](c2nc3ccccc3o2)C1)NC(=O)NC1CC1 24665489 UNFOKMUPDAULOT-LBPRGKRZSA-N 342.399 1.995 0 40 EDAB CCCCS(=O)(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@H]1S(=O)(=O)CCCC 104161506 BCTDADZBLWKRKR-XDQVBPFNSA-N 338.491 1.715 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cccn1)NCCOc1ccc(F)cc1 69744587 BMKCQBZNLWLCNQ-MRXNPFEDSA-N 346.406 1.682 0 40 EDAB C[C@@H]1CN(C[C@@H](O)CN2CCC(Cn3cccn3)CC2)C[C@@H](C)O1 106585661 IYUUGGYVNDVADA-NUJGCVRESA-N 336.480 1.065 0 40 EDAB COCCN1CCN(CC(=O)NCc2ccc(C)s2)C[C@@H]1C 106776770 NWICELJKYPKMOM-ZDUSSCGKSA-N 325.478 1.325 0 40 EDAB CCOC(=O)C[C@H]1CC(=O)[C@H](C(=O)OCC)C=C1C(=O)OCC 104222772 QPNGYBKPJGVMRZ-ZYHUDNBSSA-N 326.345 1.197 0 40 EDAB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)O 1576109 CWMXJBNCYBDNTJ-OCCSQVGLSA-N 336.388 1.917 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCN(c2nccs2)CC1)C1CCCC1 43779445 LESIQHBRESHQON-AWEZNQCLSA-N 336.461 1.487 0 40 EDAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)NC[C@H]1CCCO1 3229697 CJIDSECZIQQQMF-SECBINFHSA-N 333.171 1.840 0 40 EDAB O=C(NC1CCC2(CC1)OCCO2)N[C@@H]1c2ccccc2C[C@@H]1O 57004548 JAVSAZDQQKMIGL-JKSUJKDBSA-N 332.400 1.630 0 40 EDAB COc1cc(OC)c(C(=O)OCC(=O)NC2CCCC2)cc1OC 3219556 MFCNDZWLWAZJBN-UHFFFAOYSA-N 337.372 1.928 0 40 EDAB O=C(c1ccccn1)N1CCCN(c2nnnn2-c2ccccc2)CC1 57140631 GDRYYLUEHJOHMX-UHFFFAOYSA-N 349.398 1.410 0 40 EDAB O=C(CN1CCN(c2ccc(F)cc2)CC1)NC(=O)NC1CCCC1 35361637 LYYNBOPKOGWMFP-UHFFFAOYSA-N 348.422 1.716 0 40 EDAB CCCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 12686004 HNPSPYVQFAKSIW-UHFFFAOYSA-N 342.417 1.455 0 40 EDAB COC(=O)CCCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 8277105 GATAAYBDFNHFID-UHFFFAOYSA-N 335.328 1.366 0 40 EDAB O=C(CNCCCN1CCOCC1)Nc1cccc(C(F)(F)F)c1 1808454 RHQAOKNOLVKYQX-UHFFFAOYSA-N 345.365 1.956 0 40 EDAB Cc1cc(NC(=O)NC[C@H](C)Cn2cccn2)ccc1-n1cnnn1 57764713 FTVNJMOTVWTVDR-LBPRGKRZSA-N 340.391 1.625 0 40 EDAB COC[C@@H](C)NC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 57775573 XNENIBOTDWAWDW-BXKDBHETSA-N 336.310 1.953 0 40 EDAB C[C@@H](O)[C@@H](Nc1ncnc2ccc(Br)cc12)C(=O)O 1912293 YIWQPMVXTVANDH-LHLIQPBNSA-N 326.150 1.638 0 40 EDAB COc1ccc(NC(=O)NCCCn2nc3ccccn3c2=O)cc1 58015154 SGDLZHRNUYOXJN-UHFFFAOYSA-N 341.371 1.716 0 40 EDAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCOCC1 58223639 XSKHIBBNOJAQJP-CQSZACIVSA-N 326.396 1.746 0 40 EDAB Cc1cccc(SCC(=O)N2CCN(S(C)(=O)=O)CC2)c1 58247264 SFCJNRCMFRDRCW-UHFFFAOYSA-N 328.459 1.191 0 40 EDAB CN1CCN(c2ncccc2CNC(=O)N(C)Cc2ccco2)CC1 58290923 IHIMNPXITJAHBP-UHFFFAOYSA-N 343.431 1.768 0 40 EDAB CNC(=O)[C@H](NC(=O)CCn1c(C)csc1=O)c1ccccc1 44973236 HHPYXDQBNJBXOW-CQSZACIVSA-N 333.413 1.212 0 40 EDAB Cn1cc(/C=C/C(=O)NCc2ccccc2N2CCOCC2)cn1 58393945 NCBKHPDKPCUERP-VOTSOKGWSA-N 326.400 1.586 0 40 EDAB O=C1CCc2cc(C(=O)NCCCCN3CCOCC3)ccc2N1 48285116 YNGVDAWYXJBDMP-UHFFFAOYSA-N 331.416 1.414 0 40 EDAB O=C(NCCCn1cncn1)NC[C@H]1CCN(c2ccccc2)C1 48342353 FCLDKGVMFGXPCW-OAHLLOKOSA-N 328.420 1.494 0 40 EDAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CC1 12923685 OBGKCHXQDJFAKZ-ZDUSSCGKSA-N 335.429 1.563 0 40 EDAB CNC(=O)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C 3526051 VDNOPEFXBDRSNM-UHFFFAOYSA-N 340.430 1.160 0 40 EDAB CON(C)C(=O)c1nnn(-c2cccc(Br)c2)c1C 49222540 JYDQHDWGYUMBEM-UHFFFAOYSA-N 325.166 1.972 0 40 EDAB Cc1ccc(CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)cn1 69486879 RNGOWVMOPDVMKL-UHFFFAOYSA-N 339.395 1.623 0 40 EDAB Cc1cc(=O)c(C(=O)OCC(=O)NC(C)C)nn1-c1ccccc1 25850433 OZHOSLUMMGNOQP-UHFFFAOYSA-N 329.356 1.222 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3cccc(C)c3)C2=O)C1 5055185 VWLASKBDYXNGDT-MRXNPFEDSA-N 344.327 1.303 0 40 EDAB Cc1cnccc1-n1nc(C2CC2)nc1C[C@@H]1CCS(=O)(=O)C1 65381719 ZENXBAJCSLXYFY-LBPRGKRZSA-N 332.429 1.825 0 40 EDAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)no1 5203918 VVMIVUNLULBDAG-LLVKDONJSA-N 347.327 1.106 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)C3(C)CCOCC3)CC2)n1 69564576 MRZVSPZDBVCNNB-UHFFFAOYSA-N 348.447 1.649 0 40 EDAB NC(=O)[C@H]1CN(C(=O)Nc2ccccc2OCC(F)(F)F)CCO1 69527678 IDCOIZWXJORNTC-LLVKDONJSA-N 347.293 1.346 0 40 EDAB COc1ccc(OCCC(=O)N[C@H](C)c2nnc3n2CCC3)cc1 65606125 UNPPQQLHEMYIEE-GFCCVEGCSA-N 330.388 1.879 0 40 EDAB Cc1cc2n(n1)C[C@H](CNCCN1CCc3ccccc3C1)CN2 65621286 SAZNRLNHOWNXKM-MRXNPFEDSA-N 325.460 1.881 0 40 EDAB C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCCS(=O)(=O)CC1 69813048 BIMSAMAJQAFFFR-LLVKDONJSA-N 330.837 1.788 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)Cc2csc(C(C)(C)C)n2)CC1 69870729 KDNIREFTHWDJMC-GFCCVEGCSA-N 325.478 1.508 0 40 EDAB O[C@H](CN[C@H]1CCc2ncnn2C1)COc1ccc2ccccc2c1 69815398 JJEZKTVKBAKLJD-DLBZAZTESA-N 338.411 1.776 0 40 EDAB COC[C@H](C)N1CCN(C(=O)[C@@H](C)NC(=O)c2cccs2)CC1 69810712 YWTUQWLKHMFQGN-QWHCGFSZSA-N 339.461 1.046 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(Cc2cccs2)n1C 5579750 MKFBOWOIZZHNSY-QMMMGPOBSA-N 339.446 1.404 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCCC1 5633604 XUVXTFYSBPMVNB-UHFFFAOYSA-N 338.429 1.836 0 40 EDAB CCCn1c(N)c(C(=O)CN2CCCc3ccccc32)c(=O)[nH]c1=O 6790754 FRRHOFAJOSUPLQ-UHFFFAOYSA-N 342.399 1.164 0 40 EDAB CN(C)C(=O)Cn1cc(NC(=O)/C=C/c2c(F)cccc2F)cn1 66383536 FSALPSYRVUACOZ-VOTSOKGWSA-N 334.326 1.901 0 40 EDAB O=c1c2ccccc2ncn1C[C@@H](O)CN1CCc2ccccc2C1 66482212 LVKJVCAGBBDTDS-KRWDZBQOSA-N 335.407 1.816 0 40 EDAB Cc1cccc(C(=O)NCC(=O)N2CCN(c3ccccn3)CC2)c1 6812539 JOXWGKGLAKHPFX-UHFFFAOYSA-N 338.411 1.469 0 40 EDAB CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)N1CCOCC1 6858873 GNVVPUPREBGNCO-UHFFFAOYSA-N 335.429 1.628 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCO[C@H]1CCCC[C@H]1C 69930096 JAEUPLDHJSDCGJ-RDBSUJKOSA-N 334.482 1.656 0 40 EDAB COc1ccc(OCCNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 7118736 JGJBQMCJXWEKMJ-UHFFFAOYSA-N 339.351 1.741 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 16455988 GZIRFVWEJUHZLG-HNNXBMFYSA-N 332.339 1.189 0 40 EDAB CCn1nnnc1SCC(=O)Nc1cc(C)nn1-c1ccccc1 16460503 KLHIHESANIHBNH-UHFFFAOYSA-N 343.416 1.918 0 40 EDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(C)c1 9154706 NUIQRNZYMHVBGK-UHFFFAOYSA-N 332.425 1.974 0 40 EDAB COc1ccc(S(=O)(=O)NCCc2nccn2C)c(C)c1F 96008586 XXUWWFBZICLISA-UHFFFAOYSA-N 327.381 1.397 0 40 EDAB CCN(CC)c1ccc(C(=O)N[C@@]2(C(=O)OC)CCSC2)cn1 89969111 MQXGGOXRMIKONT-INIZCTEOSA-N 337.445 1.706 0 40 EDAB Cc1nccn1CCCCNS(=O)(=O)c1ccc(Cl)nc1 96428252 JNOXYBFXCSKOEZ-UHFFFAOYSA-N 328.825 1.999 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cn2cccn2)cc1 71866212 KXKODQHQRBEFRY-AWEZNQCLSA-N 333.413 1.591 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCN(c3ccccc3)CC2)c(=O)[nH]1 19937479 WIELVRBKNZNPGI-UHFFFAOYSA-N 326.400 1.278 0 40 EDAB CCc1ccc(CN2CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)s1 83825478 WZIHQTLAWWTMSW-UHFFFAOYSA-N 346.456 1.696 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)CN1CCN(c2ccccn2)CC1 71916699 CMAYKXQZMQDODB-INIZCTEOSA-N 332.448 1.231 0 40 EDAB O=C(CCNc1ncc(C(F)(F)F)cc1Cl)Nc1nnn[nH]1 72297188 PGMKIWYXZIFBBP-UHFFFAOYSA-N 335.677 1.708 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)c2cn3cccnc3n2)c(C)nn1C 75602450 XXZAHIHJFRWYIB-ZDUSSCGKSA-N 340.387 1.757 0 40 EDAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N1CCN(Cc2ccccn2)CC1 97096559 DEHVXHIQZUXYGN-BBWFWOEESA-N 344.459 1.722 0 40 EDAB CC(CO)(CO)NC(=O)Cc1cc(Cl)ccc1Br 97098039 ZFMNUCBONACMKO-UHFFFAOYSA-N 336.613 1.505 0 40 EDAB CCc1nnc2n1C[C@@H](NCc1cn(C)nc1-c1cccnc1)CC2 97199527 IAKUUKUJSYYNJN-HNNXBMFYSA-N 337.431 1.741 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H]3CCOc4ccccc43)CCO2)n1 76044824 DPLYTYZVDUJAMN-DZGCQCFKSA-N 328.372 1.579 0 40 EDAB CCn1cc(C(=O)NC[C@H](Cc2ccccc2F)C(=O)OC)cn1 95397182 RYVCTIYSGOBAHO-ZDUSSCGKSA-N 333.363 1.804 0 40 EDAB O=S(=O)(c1ccccc1)N1CCn2c(nnc2C(F)(F)F)C1 77898300 XMFVOOBGTVTDQI-UHFFFAOYSA-N 332.307 1.501 0 40 EDAB O=C(C[C@@H]1NC(=O)NC1=O)Nc1nc2ccccc2n1-c1ccccc1 97931195 CUZZYZUCFNAYCZ-ZDUSSCGKSA-N 349.350 1.562 0 40 EDAB COCc1nc(CN2CCO[C@H](CNc3cccnn3)C2)cs1 78893904 HWULSTIBTIDUOL-CYBMUJFWSA-N 335.433 1.392 0 40 EDAB CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2c1ncc(Br)cn1 95972406 CNZHESCZLMAQOR-FRRDWIJNSA-N 341.253 1.927 0 40 EDAB CC(C)CC(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 95961310 WKSDRZDSSZLGBH-INIZCTEOSA-N 347.463 1.106 0 40 EDAB CC(C)C[C@@H]1COCCN1CC(=O)NC1CCC2(CC1)OCCO2 95959503 BIUXDNIARUYRLS-MRXNPFEDSA-N 340.464 1.535 0 40 EDAB CCCCN(CCOC)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 74593319 IRJOUJOLTJYDEQ-WBVHZDCISA-N 333.432 1.876 0 40 EDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc2c(s1)CCCC2 79018989 GHZGABIEQWSUQO-LBPRGKRZSA-N 342.486 1.781 0 40 EDAB CNC(=O)c1ccc(N2CCCN(Cc3ccccc3F)CC2)nn1 74745468 SAZSDGJQYYJGHO-UHFFFAOYSA-N 343.406 1.688 0 40 EDAB CN1CCN(CCNC(=O)c2ccccc2Br)CC1 22859243 JNJVEWYPBIIPJE-UHFFFAOYSA-N 326.238 1.426 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H]2CCCN(c3ccccn3)C2)c(=O)[nH]1 89568536 AWBSTBLKAVTIKK-HNNXBMFYSA-N 340.427 1.920 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2CCC(N3CCN(C)C3=O)CC2)c1 75132584 ZKWTTYGWKLDOSQ-KRWDZBQOSA-N 347.459 1.567 0 40 EDAB Cc1cccc2nc(CNC(=O)NCCCNC(=O)C3CCC3)cn12 89689091 YJKTWJGCTXTTEX-UHFFFAOYSA-N 343.431 1.748 0 40 EDAB CCOc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)NC(C)C 408700680 KDQKYUANLSPZPH-UHFFFAOYSA-N 328.434 1.910 0 40 EDAB O=C1[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 408917981 DRLMDZNDXXAERA-YXMPFFBPSA-N 340.162 1.799 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)C[C@@H](C)O1 27976331 WTXNVWSLIXUVNV-JHJVBQTASA-N 331.376 1.065 0 40 EDAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)n1ccnc1 32502317 NXZNVRDWUCXMLJ-UHFFFAOYSA-N 326.356 1.787 0 40 EDAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCc1cccnc1 408707477 BVOBFSQQUUTDRH-UHFFFAOYSA-N 340.383 1.475 0 40 EDAB COC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218196907 NZKHHVONYHOADD-WOPDTQHZSA-N 334.235 1.303 0 40 EDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1Cl 71979966 PDMPAKRVRKIWMD-ZDUSSCGKSA-N 338.791 1.688 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC2CC2)c(C(=O)O)c1 217663749 OICJDXORMACZPX-SECBINFHSA-N 328.390 1.272 0 40 EDAB CCn1nc(C)c2c1cnn2CCNC(=O)COc1ccccc1 72240926 WHCSUXAEHWFXMF-UHFFFAOYSA-N 327.388 1.756 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)Cn1nc2c(cc1=O)CCCCC2 72404495 SRQOSFSKAUTTLY-UHFFFAOYSA-N 343.431 1.179 0 40 EDAB O=C(c1ccco1)N1CCC(n2nnn(-c3ccccc3)c2=O)CC1 72335786 URDDGPZZIADIAF-UHFFFAOYSA-N 339.355 1.499 0 40 EDAB O=S(=O)(Cc1ccccc1F)N1CC[C@H](Oc2cnsn2)C1 675008051 SBNSRZUXRUCMHD-NSHDSACASA-N 343.405 1.660 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)NCc2ccc(F)cc2)C1 225389784 IJSZOKAHXZGUFW-CQSZACIVSA-N 346.362 1.987 0 40 EDAB Cc1cccc(OCc2cn(CC(=O)NCc3nccs3)nn2)c1 227161394 PSRZWZFTPZSTHE-UHFFFAOYSA-N 343.412 1.938 0 40 EDAB CCOC(=O)N1CCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 41649087 KXHOOBKJSDANAH-UHFFFAOYSA-N 342.399 1.711 0 40 EDAB COc1cccc(CC(=O)N2CC[C@@H](Oc3nccnc3OC)C2)c1 225808082 XFCYUXUWLGCWOG-OAHLLOKOSA-N 343.383 1.716 0 40 EDAB O=C(Nc1cccnc1)c1c[nH]c(=O)n(Cc2cccs2)c1=O 75172512 ZOCKNSWKXFBRDA-UHFFFAOYSA-N 328.353 1.294 0 40 EDAB COc1cc(N2CCN(C(=O)c3cnc(C)cn3)CC2)ccc1F 225780313 GSPSQGIAHNIBBW-UHFFFAOYSA-N 330.363 1.895 0 40 EDAB CC1=CCN(CCNC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)CC1 576248364 FHZFFBZQVHPTMN-QGZVFWFLSA-N 348.491 1.825 0 40 EDAB CCN1Cc2c(C(=O)NC3CC3)ncn2-c2ccccc2S1(=O)=O 96147349 IIUONQGWXRLLHP-UHFFFAOYSA-N 346.412 1.289 0 40 EDAB Cc1cccc(CN2C(=O)CCC23CCN(S(C)(=O)=O)CC3)c1 96228260 JFLLIEVMTMNPKD-UHFFFAOYSA-N 336.457 1.912 0 40 EDAB O=C(c1ccnnc1)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 96039861 BMXGEDNKFVKEJY-FUHWJXTLSA-N 331.416 1.915 0 40 EDAB Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)o1 96199766 TUMOQOKHRHVDFB-MRXNPFEDSA-N 328.416 1.960 0 40 EDAB Cc1ccsc1C(=O)N1CC[C@H](N2CCOCC2)C[C@H]1C(=O)O 96069101 FOPIHQXOSDJNPL-STQMWFEESA-N 338.429 1.447 0 40 EDAB Cn1ccnc1CN1CCCn2nnc(COc3cccnc3)c2C1 96259002 CVXGJNTWINWSBI-UHFFFAOYSA-N 339.403 1.392 0 40 EDAB C[C@@H](c1cccnc1)N1CCN(Cc2cc(=O)n3nccc3[nH]2)CC1 96424346 BKSFAKMIXOMZMY-AWEZNQCLSA-N 338.415 1.296 0 40 EDAB Cc1noc(CCCNC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)n1 96439744 HYHIDHQJBUYHMO-SNVBAGLBSA-N 334.424 1.591 0 40 EDAB CCc1cc(CNC(=O)NCc2ccccc2Cn2cncn2)on1 96421431 DXCSLGILLNIDJV-UHFFFAOYSA-N 340.387 1.876 0 40 EDAB CN1C[C@H]2CCN(C(=O)Nc3ccc(F)cc3)CC[C@H]2S1(=O)=O 96263764 GETVPBRJAFRJPJ-BXUZGUMPSA-N 341.408 1.713 0 40 EDAB O=C(CCS(=O)(=O)c1ccccc1)Nc1cnn([C@H]2CCOC2)c1 96123137 QLOCQYXPFGNCFM-AWEZNQCLSA-N 349.412 1.647 0 40 EDAB Cn1cnc2c1CCN(Cc1ccccn1)[C@@H]2CN1CCOCC1 96259801 SHACIRDYTNXWBL-QGZVFWFLSA-N 327.432 1.247 0 40 EDAB CNc1ccc(C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)cn1 582351942 VCWCJYMFEVBUBU-AWEZNQCLSA-N 326.404 1.897 0 40 EDAB Cc1ccccc1C(=O)N1CCCn2nnc(Cn3cccn3)c2C1 96259538 LVSQDSLXWHYXSX-UHFFFAOYSA-N 336.399 1.877 0 40 EDAB CCOC(=O)[C@]12CCCN(C(=O)COC)C[C@H]1CN(C(C)C)C2 96055920 QWIMDKUMQBVUAL-YOEHRIQHSA-N 326.437 1.145 0 40 EDAB C[C@]1(C(=O)NCCCN2CCOCC2)CC(c2ccccc2)=NO1 96192741 CEZAWYXFMBBVBD-GOSISDBHSA-N 331.416 1.408 0 40 EDAB C[C@H](O)C[C@H]1COCCN1C(=O)NCCc1cc(F)c(F)c(F)c1 97095065 NSYUDDGRGNTZFA-JQWIXIFHSA-N 346.349 1.828 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2ccsc2)[C@H]1Cc1cnn(C)c1 96200653 XJKLDYFHTQNYCK-HOTGVXAUSA-N 349.456 1.970 0 40 EDAB COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1nnc(C)n1C 96470217 PLNQIKFICIWDBO-CQSZACIVSA-N 342.321 1.887 0 40 EDAB Cc1cc(C(=O)N2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)no1 96065720 HADNNZNFIMOGAU-ULQDDVLXSA-N 343.383 1.967 0 40 EDAB CCn1cc(CN(C)C(=O)[C@H]2CN(Cc3ccccc3)CCO2)cn1 96420837 BJPUVQUMTYKBJH-GOSISDBHSA-N 342.443 1.762 0 40 EDAB Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)[C@H]2CCOC2)cs1 96186383 YDSNGQVIFWZIJM-NWANDNLSSA-N 349.456 1.580 0 40 EDAB Cc1ocnc1CNS(=O)(=O)c1ccc(C(C)(C)C(=O)O)cc1 584183806 WKPVEVYCDJEKSP-UHFFFAOYSA-N 338.385 1.824 0 40 EDAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCc2cccnc2)[C@H]1O 257335265 YJJWKIPGGOFRSD-JFIYKMOQSA-N 328.416 1.790 0 40 EDAB Cc1cnn(CC(=O)N2CCC(c3cc(C)n4nccc4n3)CC2)c1 257246994 IWWUXGMTRHVRDR-UHFFFAOYSA-N 338.415 1.949 0 40 EDAB CCn1ncnc1CNC(=O)NC[C@H]1CC(c2ccc(C)cc2)=NO1 252510739 ZPLUXOPILVILJS-CQSZACIVSA-N 342.403 1.599 0 40 EDAB CC(C)(C)CN1CCC[C@H](N2CCO[C@@H](Cn3ccnn3)C2)C1=O 585115934 AIJVSBWLMMHYQR-CABCVRRESA-N 335.452 1.016 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(C(F)F)[nH]n2)C1 585135400 HONFJRTVRULOOB-VHSXEESVSA-N 344.362 1.351 0 40 EDAB Cc1ccsc1C(=O)N(C)C[C@@]1(O)CCCN(c2cnccn2)C1 257273003 NEWLOTWBWCPTFJ-KRWDZBQOSA-N 346.456 1.950 0 40 EDAB CCn1cc(CN2CCNC[C@@H]2c2cccc(C(=O)NC)c2)cn1 257248999 JGFZDCWXLAWVIA-QGZVFWFLSA-N 327.432 1.409 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)n1 257240282 HSVZWAWFKSQTGL-GFCCVEGCSA-N 345.403 1.725 0 40 EDAB O=C(O)Cc1ccc(O[C@@H]2CN(Cc3cncs3)C[C@H]2O)cc1 257224976 FEFMLOQRAIKXCM-HUUCEWRRSA-N 334.397 1.394 0 40 EDAB CN(c1cccnn1)C1CCN(C(=O)c2cnn3cccnc23)CC1 591871069 RSUGBSYKWSICSR-UHFFFAOYSA-N 337.387 1.260 0 40 EDAB COC1(OC)CCOC[C@H]1NC(=O)Nc1cc2c(cc1C)OCO2 1615587364 JVKCAKDTRZPDMR-CQSZACIVSA-N 338.360 1.623 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)Nc2nc3ccccn3n2)cc1 390833376 GTAQJBCZCASQFE-UHFFFAOYSA-N 346.368 1.707 0 40 EDAB O=C(N[C@H](Cc1ccncc1)C(=O)O)[C@H]1COc2ccccc2C1 655601766 RRVLITRSHZTMCZ-HUUCEWRRSA-N 326.352 1.445 0 40 EDAB CN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 575424402 KYOYEPWLZLKHHC-LBPRGKRZSA-N 337.850 1.538 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575405678 UCDZPQRGKSZSAL-LBPRGKRZSA-N 328.459 1.760 0 40 EDAB O=C(CCn1cncn1)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585285695 QWHPLWHLWAVAKN-SRCQZFHVSA-N 348.378 1.142 0 40 EDAB O=C(O)[C@@H]1C[C@H](O)[C@H](Nc2cc(-c3ccccc3)nc3ncnn23)C1 662895830 HKIXHLCQCYZPHR-YUTCNCBUSA-N 339.355 1.427 0 40 EDAB CCN(CC)[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccsc1 41441405 SCGRNSTYRMVAQA-KGLIPLIRSA-N 344.502 1.682 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1O 585286576 MBNWVYBXAWOZPR-DFBGVHRSSA-N 339.775 1.933 0 40 EDAB CC1(C)NC(=O)N(CCN2CCC([C@H](O)c3ccccc3)CC2)C1=O 45736686 RKSNLIRIULALQO-MRXNPFEDSA-N 345.443 1.762 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)CCNS(C)(=O)=O)cc1 47667862 WFWVAXUENVZDLP-AWEZNQCLSA-N 326.418 1.298 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCn1ccc(C(F)(F)F)n1 96099023 QRAZMAFBLZRTSP-UHFFFAOYSA-N 338.311 1.485 0 40 EDAB CN(CCN(C)c1ccccc1)C(=O)c1c[nH]c2c(cnn2C)c1=O 97080415 QXVZEVZSOPXSPR-UHFFFAOYSA-N 339.399 1.470 0 40 EDAB CN1CCN(c2ccc(F)cc2NC(=O)NCC[S@@](C)=O)CC1 95403918 FKRHWBOOGAZFJH-QHCPKHFHSA-N 342.440 1.078 0 40 EDAB C[C@@H](NC(=O)C(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 5424138 IXSYWQYFAUETMM-UKRRQHHQSA-N 340.379 1.820 0 40 EDAB C[C@@H](Cn1nnc2ccccc21)NC(=O)c1n[nH]c(=O)c2ccccc12 12141908 JGYMXUJMNMHDQK-NSHDSACASA-N 348.366 1.486 0 40 EDAB C[C@@H](C(=O)N1CCn2c(nnc2C2CC2)C1)n1nnc2ccccc21 12219753 UITRANIMNYPKNU-NSHDSACASA-N 337.387 1.504 0 40 EDAB CCn1ccc(C(=O)N2CC(C(=O)NCCc3ccc(F)cc3)C2)n1 19748667 ZVVZQFLPEZPCLF-UHFFFAOYSA-N 344.390 1.473 0 40 EDAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)NC1CCOCC1 225557347 ZZWLYRXOBFMFQG-OAHLLOKOSA-N 327.494 1.682 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)cc1F 11804151 OMJZZPXZVHRBKD-CQSZACIVSA-N 339.344 1.939 0 40 EDAB CC1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888865782 YFRPDFDJQAFKAT-JHJVBQTASA-N 326.404 1.065 0 40 EDAB COc1cccc(-c2noc(CN3CCN(C(=O)N(C)C)CC3)n2)c1 40513738 WTNZPHXRCCASQT-UHFFFAOYSA-N 345.403 1.544 0 40 EDAB Cc1cc(C(=O)N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)ccn1 2037984674 JOYDVABIDVOVPK-SFHVURJKSA-N 331.416 1.490 0 40 EDAB Cn1c(O)nc(N2CCN(c3ccnc4ccccc34)CC2)cc1=O 1354226060 IVXJJHNREIITRD-UHFFFAOYSA-N 337.383 1.361 0 40 EDAB CCC(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 11693847 VHHRWXOHIIUJDO-UHFFFAOYSA-N 329.335 1.835 0 40 EDAB CCOC(=O)N[C@](Nc1ccc(C)cn1)(C(=O)OC)C(F)(F)F 20065348 SVLPBJICOCJICR-GFCCVEGCSA-N 335.282 1.980 0 40 EDAB Cc1ccccc1OCC(=O)NCc1nccnc1-c1cnn(C)c1 575619810 NQBDZISOOLTVHL-UHFFFAOYSA-N 337.383 1.881 0 40 EDAB Cc1ccccc1OCC(=O)NCCn1ccnc1-c1cnccn1 575610238 UWAAHWHPMLXZNE-UHFFFAOYSA-N 337.383 1.844 0 40 EDAB COc1cc(=O)n2c(c1C(=O)Nc1ccccc1C(N)=O)CCC2 244970161 HMJPTEMNHVUXQG-UHFFFAOYSA-N 327.340 1.154 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1Cc1cn(Cc2ccccc2)nn1 2298050216 SEUZEFJBSMWZKW-UHFFFAOYSA-N 325.372 1.691 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NCc1cccnc1OCC(F)(F)F 40074517 FDUQESDHJBFEKF-LBPRGKRZSA-N 345.321 1.650 0 40 EDAB CC1=Nn2c(Cc3ccccc3F)nnc2S[C@H]1C(=O)N(C)C 40464593 JSRSSKXGPNAIPT-CYBMUJFWSA-N 333.392 1.795 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1cc(-c2ccccc2)[nH]n1 40554773 LCHSMMBGNAGZIJ-UHFFFAOYSA-N 330.369 1.502 0 40 EDAB O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)N1CCCCC1 35023 SAWZIBGTODAEFD-UHFFFAOYSA-N 347.400 1.496 0 40 EDAB c1coc(CNc2nc(N3CCCCC3)nc(N3CCOCC3)n2)c1 184193 FQVJSTUQESYEIG-UHFFFAOYSA-N 344.419 1.904 0 40 EDAB O=C(CC[C@@H]1CCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 70021608 GGYXYFFLGFAPEY-ZWKOTPCHSA-N 332.444 1.823 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)Nc1nc(CC(=O)OC)cs1 69372597 GSCYTUXTKPWHBN-LLVKDONJSA-N 339.417 1.588 0 40 EDAB O=C(Cn1nc2n(c1=O)CCCCC2)NCc1ccccc1Cl 29108129 USXQIACACFORJK-UHFFFAOYSA-N 334.807 1.741 0 40 EDAB O=C(NCc1cc[nH]n1)NC[C@H](c1cccs1)N1CCOCC1 69351190 JWMPZNTUZHTCRY-CYBMUJFWSA-N 335.433 1.344 0 40 EDAB CN(C)S(=O)(=O)N(C)C1CCN(c2ncnc3ccccc23)CC1 69627128 PBNSOIZHKHTZNU-UHFFFAOYSA-N 349.460 1.337 0 40 EDAB Cc1ccsc1CN(C)C(=O)c1cc(S(N)(=O)=O)c(C)o1 89702026 MHILLNQXKAXDCP-UHFFFAOYSA-N 328.415 1.878 0 40 EDAB CSc1cccc(N2C[C@@H](C(=O)NCCNC(C)=O)CC2=O)c1 8394937 VXSNCXPVBVLXAR-LBPRGKRZSA-N 335.429 1.014 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)N(Cc2ccccc2F)C2CC2)CC1 69652343 RGUFRMANIPRHEW-OAHLLOKOSA-N 349.450 1.315 0 40 EDAB CCc1noc([C@@H](C)N2CCN(c3ncnc4c3cnn4C)CC2)n1 32760274 FSVHMOUOVYRYNQ-LLVKDONJSA-N 342.407 1.192 0 40 EDAB COc1cccc(NC(=O)CN(C)C(=O)CN2CCCC[C@H]2C)c1 32753291 RZDPRUVSZDBFPI-CQSZACIVSA-N 333.432 1.967 0 40 EDAB CCc1nnc(NC(=O)CCc2c(C)nc3ncnn3c2C)s1 8269882 JHUMBYOTYFVPBK-UHFFFAOYSA-N 331.405 1.726 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 2639343 INOLSQBMOODGHV-UHFFFAOYSA-N 345.424 1.537 0 40 EDAB O=C1C[C@@H](C(=O)NCCNC(=O)c2ccco2)c2ccc(F)cc2N1 32908643 OTVHKDVZFWEFML-GFCCVEGCSA-N 345.330 1.391 0 40 EDAB O=C(CN1CCc2cncnc2C1)NCCOc1cccc(Cl)c1 69491880 LTHPGWUPDYWBHC-UHFFFAOYSA-N 346.818 1.683 0 40 EDAB CCN(Cc1ccccc1)C(=O)CNC(=O)NCc1cscn1 69485606 BBDMDMQXEJJODV-UHFFFAOYSA-N 332.429 1.991 0 40 EDAB NC(=O)[C@@H](OC(=O)c1cccc(N2CCNC2=O)c1)c1ccccc1 46505105 PWXOEBNJIPGOGG-HNNXBMFYSA-N 339.351 1.600 0 40 EDAB COC(=O)c1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1 46597297 FDVVCQKHPKYLOZ-UHFFFAOYSA-N 340.383 1.662 0 40 EDAB O=S(=O)(c1ccc(I)cc1)n1ccnc1 9061813 BJKVOOGVXLGEDE-UHFFFAOYSA-N 334.138 1.725 0 40 EDAB Cc1ccc(Cn2ccs/c2=N/C(=O)[C@H](C)S(C)(=O)=O)cc1 103211354 FSLULLKOPMGINW-VVLLMFOMSA-N 338.454 1.767 0 40 EDAB COc1cc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc(OC)c1O 101708393 ZWEAVAZXBZXPFP-SECBINFHSA-N 333.340 1.602 0 40 EDAB C[C@@H]1C[C@H]1CNC(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1 47096799 OCYOMIBPZNVCQD-CABCVRRESA-N 346.479 1.488 0 40 EDAB O=S(=O)(c1cccnc1)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107721114 OBKJDMFWVSNAGE-HRCADAONSA-N 338.429 1.429 0 40 EDAB Cc1ccc2c(n1)N(CCn1cccn1)CCN(C[C@H]1CCOC1)C2 107215407 MZSVYJDFXQDCFQ-QGZVFWFLSA-N 341.459 1.945 0 40 EDAB O=C(NC1CCN(C2CC2)CC1)c1ccc(-n2cnnn2)cc1Cl 104223200 NJWZHXRQLVYKBF-UHFFFAOYSA-N 346.822 1.672 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)c(OC)c1 23313059 OTWFYBJCWCFRAB-HNNXBMFYSA-N 345.399 1.976 0 40 EDAB COc1ccc2c(c1)OCC(CN[C@H]1CCc3nc(C)nn3C1)=C2 69772765 FFZRBEGGVBHDMI-HNNXBMFYSA-N 326.400 1.976 0 40 EDAB C[C@@H](CNC(=O)c1c[nH]c(=O)c(Cl)c1)N1C[C@@H](C)O[C@H](C)C1 54763549 WBXOORUSGDHNKN-HBNTYKKESA-N 327.812 1.256 0 40 EDAB Cc1cccc(NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)c1 57406317 TYHBUOLZCHSZAY-OAHLLOKOSA-N 325.416 1.934 0 40 EDAB CN(Cc1ccccc1F)C(=O)CN(CC(N)=O)Cc1ccccc1 69774879 JQMAKUQWOUXTHD-UHFFFAOYSA-N 343.402 1.772 0 40 EDAB CCc1ccc(-n2nc(CO)c(C(=O)NCc3ccccn3)n2)cc1 8613691 RRDVBUBNDARHMF-UHFFFAOYSA-N 337.383 1.647 0 40 EDAB COC(=O)C[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)C(=O)OC 24829493 IUMDCOJQVOUFKE-YPMHNXCESA-N 339.413 1.697 0 40 EDAB COC(=O)NCC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 55306479 NVFMVYKQJPDGJW-HNNXBMFYSA-N 342.399 1.781 0 40 EDAB Cc1nc(CN2CCC[C@H](NCC(=O)N[C@H](C)c3ccco3)C2)no1 106779687 PTFQAYXHBCNYCC-OCCSQVGLSA-N 347.419 1.402 0 40 EDAB O=C(CNS(=O)(=O)Cc1ccccc1)N1CCc2ccccc2C1 25130797 GEWFRGJCEKBMDH-UHFFFAOYSA-N 344.436 1.691 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)CCCc1nc(C(C)(C)C)no1 25301431 GGKGPGIBIMDHFI-GFCCVEGCSA-N 336.436 1.817 0 40 EDAB CCOC(=O)C1CCN(c2nc3ccccc3n3c(=O)[nH]nc23)CC1 57352319 NXDVOZCANBMKSU-UHFFFAOYSA-N 341.371 1.350 0 40 EDAB NC(=O)C1CCN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC1 20491606 BLWYGCCYIUOGBR-UHFFFAOYSA-N 329.400 1.147 0 40 EDAB C[C@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)N1CCOCC1 58173027 QBFOAIROPBBVKQ-ZDUSSCGKSA-N 349.456 1.657 0 40 EDAB COc1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)ccc1OCC(N)=O 58264931 PQSAZFVROUAYRW-KBPBESRZSA-N 348.399 1.343 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)CN2CCCC2=O)c(C)c1 58265561 RAEVUTBFGVPARD-CYBMUJFWSA-N 340.445 1.683 0 40 EDAB O=S(=O)(c1cccnc1)N1CCN(C[C@H](O)c2ccccc2)CC1 44914515 JUFYOZLAOVTNJW-KRWDZBQOSA-N 347.440 1.122 0 40 EDAB O=C(NCCN1CCc2ccccc2C1)c1ccnc(-n2cncn2)c1 58393474 MQWFEFAXXSIKLB-UHFFFAOYSA-N 348.410 1.450 0 40 EDAB CC[C@@H](O)CN(CC(=O)N(C)CC(=O)NC(C)(C)C)c1ccccc1 58341331 OGNRGSCCJJAFNZ-MRXNPFEDSA-N 349.475 1.637 0 40 EDAB CN1CCc2nc(NC(=O)c3ccc4c(c3)OCC(=O)N4)sc2C1 27988644 PLOKQYXVRSKVMM-UHFFFAOYSA-N 344.396 1.714 0 40 EDAB O=C(CNC(=O)Nc1ccc(-n2cncn2)cc1)NC1CCCCC1 58617064 MUWOZYKOPXFUOD-UHFFFAOYSA-N 342.403 1.838 0 40 EDAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3cc(C)no3)ccc21 10997126 YLUXNNGLAGFGNU-JTQLQIEISA-N 343.343 1.932 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@@H](C(F)(F)F)C1 48287229 OJGKEQQVXDAQNY-SECBINFHSA-N 333.310 1.105 0 40 EDAB CCNC(=O)CN(CC)C(=O)Cc1ccc(Br)cc1 48311278 QORZINVSNFISRE-UHFFFAOYSA-N 327.222 1.976 0 40 EDAB COC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 12860389 URSDUDZCNWZYJG-LLVKDONJSA-N 347.440 1.975 0 40 EDAB O=c1[nH]c(=O)n(Cc2cccnc2)c2c1CN(C1CCCC1)CN2 20479388 RLORTAABMTUERY-UHFFFAOYSA-N 327.388 1.108 0 40 EDAB CCc1nn(C)c(CC)c1CN1CC[C@@H](S(=O)(=O)NC2CC2)C1 92072190 YKXPJYQPZHCABU-CYBMUJFWSA-N 340.493 1.201 0 40 EDAB Cn1c(=O)ccn(CC(=O)Nc2cc(-n3cccc3)ccc2F)c1=O 69847726 YAQVTPKVBUSDNP-UHFFFAOYSA-N 342.330 1.116 0 40 EDAB CN(C)c1ncc(CNS(=O)(=O)c2cc(F)cc(F)c2)n1C 69808695 JVENCRWWOXBDNW-UHFFFAOYSA-N 330.360 1.243 0 40 EDAB CCC(CC)CN(CC(=O)OC)C(=O)[C@@H](C)NC(=O)c1ccoc1 63703774 AAAVJDOEIITJNE-GFCCVEGCSA-N 338.404 1.836 0 40 EDAB CCCOc1ccc(N2C(=O)C[C@H](NC[C@H]3CCCO3)C2=O)cc1 19798326 OIAOBFQEZWKYEY-CVEARBPZSA-N 332.400 1.876 0 40 EDAB Nc1nc(Cl)cc(NCc2ccc(CS(N)(=O)=O)cc2)n1 65452207 KJUKIUPLJHFCOF-UHFFFAOYSA-N 327.797 1.113 0 40 EDAB c1ccc(OCCN2CCc3ncnc(N4CCOCC4)c3C2)cc1 65513457 XGPZPYHGRLAJDA-UHFFFAOYSA-N 340.427 1.750 0 40 EDAB Cc1c(CC(=O)NCc2cccnc2)c(=O)oc2cc(O)cc(O)c12 5347106 TWFARYHAHPYYMU-UHFFFAOYSA-N 340.335 1.767 0 40 EDAB O=C([C@H]1CCCN1Cc1ccn(-c2ccccc2)n1)N1CCOCC1 65626025 GRDYVTQMZWWWQT-GOSISDBHSA-N 340.427 1.696 0 40 EDAB O=C(O)[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 6528124 UPFMJOLFOIYFLW-MNOVXSKESA-N 343.305 1.470 0 40 EDAB COC(=O)CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 7254553 NKHLNBVBJBKCKK-UHFFFAOYSA-N 330.387 1.343 0 40 EDAB Cc1nc(C(=O)NCCC(=O)NCc2cccnc2)c2n1CCCC2 81597020 HAOHKLYVZOMWTH-UHFFFAOYSA-N 341.415 1.359 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)NCc1nc2ccccc2[nH]1 9219965 OWADFVJYJZMHEQ-UHFFFAOYSA-N 333.351 1.589 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)Cc2csc(-c3nc[nH]n3)n2)C12CCC2 89985697 RGSBESILMMGRNA-NWDGAFQWSA-N 347.444 1.935 0 40 EDAB CNC(=O)[C@@H](C)CN(C)Cc1cnc2ccc(Br)cn12 93898728 KFBPEDXBXQMIDR-JTQLQIEISA-N 339.237 1.911 0 40 EDAB COc1cc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)ccc1O 83923478 PIBOMFSAWJKVGJ-ZDUSSCGKSA-N 332.400 1.808 0 40 EDAB COc1ccc(CCC(=O)N2CCN(c3cnccn3)CC2)cc1 71794344 MFOUBHFDSLKRPB-UHFFFAOYSA-N 326.400 1.767 0 40 EDAB COc1cc(CNC(=O)CCCn2cncn2)c2ccccc2n1 96426779 QLVSAZUBXKBGAB-UHFFFAOYSA-N 325.372 1.932 0 40 EDAB C[C@H](C(=O)NCc1ccccc1)[S@](=O)Cc1cccc(C(N)=O)c1 96404363 LNVUFWJLRVCQCT-OZAJXLCCSA-N 344.436 1.739 0 40 EDAB Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C4OCCO4)C=C[C@H]3O2)c1 409278657 FJRYBQYTKVLWAN-UHQDVWGKSA-N 327.336 1.181 0 40 EDAB CCOC(=O)CCNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 71920208 LAJUWNQBPLSBMA-UHFFFAOYSA-N 349.387 1.234 0 40 EDAB Cn1c([C@@H]2CCCN2CCC(=O)N2CCOCC2)nc2ccccc21 84116641 AENLDFFLBVXPIH-KRWDZBQOSA-N 342.443 1.959 0 40 EDAB C[C@@H](O)CN1CCN(Cc2csc(-c3cnn(C)c3)n2)C[C@H]1C 72279665 IADAZJYIFDWMFB-CHWSQXEVSA-N 335.477 1.431 0 40 EDAB O=C(Nc1ncn(Cc2cccnc2)n1)[C@H]1Cc2cc(F)ccc2O1 72292642 QASIDDIDOCQENX-OAHLLOKOSA-N 339.330 1.803 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 97016169 PQYFTYVRYRIBNR-SWLSCSKDSA-N 341.404 1.285 0 40 EDAB Cc1cc(C)cc(OC[C@@H](O)Cn2nc(-n3ccnc3)ccc2=O)c1 97000720 PXIDDLWTFGYDEM-HNNXBMFYSA-N 340.383 1.486 0 40 EDAB CC[C@@H](NC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccncc1 76088199 KPDJJVNZSAOGJQ-NWDGAFQWSA-N 344.337 1.995 0 40 EDAB CC[C@H](COC)NS(=O)(=O)c1cnn(-c2ccccc2F)c1 76062328 NFMULPWWMQVRAV-LLVKDONJSA-N 327.381 1.715 0 40 EDAB CCc1cnc(CNC(=O)N[C@H]2CCCN(CCOC)C2)s1 72304211 QUCXBVWEFNKQJU-LBPRGKRZSA-N 326.466 1.616 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cccnc3OCC)CCO2)n1 76046099 VNUKODNOMFQFDD-CYBMUJFWSA-N 345.403 1.765 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(CC2(O)CCCCC2)C1 84304131 NPMDXJQHDMKTNH-INIZCTEOSA-N 347.507 1.894 0 40 EDAB Cc1nc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c2ccccn12 76056145 CFKFAFLYHXIMPB-CJNGLKHVSA-N 328.416 1.435 0 40 EDAB C[C@H]1CN=C(N2CCN(CC(=O)N(C)Cc3ccco3)CC2)S1 84715270 GWMCGFALQWGYKQ-ZDUSSCGKSA-N 336.461 1.347 0 40 EDAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCOC[C@@H]1CCO 95451156 MACBOFFKWLDNPD-NSHDSACASA-N 335.791 1.954 0 40 EDAB Cn1cc(C(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)ccc1=O 95429902 AIONWPRQOQIOGF-MRXNPFEDSA-N 330.359 1.863 0 40 EDAB COc1ccc(-c2noc(CCCC(=O)NC[C@H](C)CO)n2)cc1 95431054 HBJGAXLJCMSVNY-LBPRGKRZSA-N 333.388 1.813 0 40 EDAB Cn1ccnc1CNC(=O)NCCc1csc(N2CCCC2)n1 78952628 KLLTVWCRTSSOAP-UHFFFAOYSA-N 334.449 1.519 0 40 EDAB CN(C)Cc1ccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 98010414 SMZRFZFBTPKNEO-INIZCTEOSA-N 341.415 1.017 0 40 EDAB O=C(O)[C@H]1CCCCN1C(=O)CCN1C(=O)CSc2ccccc21 95947076 IDCUXMYANBSSGS-CYBMUJFWSA-N 348.424 1.981 0 40 EDAB O=C(O)C1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 95970504 DZRZSJUWGPOXDL-OTTFEQOBSA-N 334.372 1.388 0 40 EDAB O=C1[C@H](N2CCS(=O)(=O)CC2)CCN1c1ccc(Cl)c(F)c1 95978676 NFGSLBTZGFGVGT-CYBMUJFWSA-N 346.811 1.315 0 40 EDAB CCOC(=O)C1=C(CN(C)Cc2ccc(F)cc2F)NC(=O)NC1 95947981 ILCBEUKSVWQHTC-UHFFFAOYSA-N 339.342 1.527 0 40 EDAB COCCN(CC(N)=O)C(=O)c1ccc(F)c(Br)c1 79854210 WFHOFCQAPCBFRT-UHFFFAOYSA-N 333.157 1.162 0 40 EDAB CCn1cc(S(=O)(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)cn1 89309900 XCGOALTZAQOFPP-ZDUSSCGKSA-N 348.428 1.266 0 40 EDAB C[C@@H]1CCCN(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)C1 75133524 WWWYPYSQAHTAEM-CYBMUJFWSA-N 340.445 1.910 0 40 EDAB Cc1ccc(C)n1-c1c(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cnn1C 89652259 CIPCURSJGGGLJD-ZIAGYGMSSA-N 343.431 1.602 0 40 EDAB CC(C)(C)OC(=O)N1CCC2(CC1)OC1(CO)CC2(C(=O)O)C1 1554770604 KIGWUQFGKKFSIT-UHFFFAOYSA-N 327.377 1.382 0 40 EDAB CCOC(=O)C1=C(C)n2c(sc(=C(C)C)c2=O)=N[C@H]1c1ccco1 408730849 JJRLEBBBTIMNKA-ZDUSSCGKSA-N 346.408 1.862 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCCC(C)C 408551439 HWHSHKDISZNONK-CYBMUJFWSA-N 342.461 1.833 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N[C@H]2Cc3ccccc3NC2=O)c1 528543276 XEBIYKVKLFMDMR-ZDUSSCGKSA-N 334.401 1.306 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CNC(=O)c2ccccc2)C1 78929436 QIOJXHWFFNTYBL-AWEZNQCLSA-N 347.415 1.542 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2cc(=O)[nH]c(-c3cnccn3)n2)C1 72397164 DEKITGLVCFZBCO-FRRDWIJNSA-N 339.399 1.589 0 40 EDAB O=C(NC1(c2ccc(F)cc2)CCOCC1)[C@H]1CC(=O)N(C2CC2)C1 558577272 RCIXNKQUNMNMQI-ZDUSSCGKSA-N 346.402 1.959 0 40 EDAB COC(=O)CN(C)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 32759771 SNOPYNHNBCOVOH-UHFFFAOYSA-N 339.823 1.093 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2ncc(Cl)cn2)[C@H](C(=O)O)C1 72202869 OGEHQOJHDWSXAQ-JTQLQIEISA-N 342.783 1.640 0 40 EDAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@]3(C)O2)cc1 37613792 CGGHNGQHQKAQJH-HLNSBACISA-N 327.336 1.696 0 40 EDAB CCOC(=O)NCCNC(=O)Nc1ccc(N2CCCC2=O)cc1 78602676 UJPUYOAGKOLGLP-UHFFFAOYSA-N 334.376 1.681 0 40 EDAB COc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1-n1cnnn1 79493602 MFBAYLLNDAJXBU-UHFFFAOYSA-N 339.311 1.652 0 40 EDAB CC(C)CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCO 217459704 RXPSSCWSUQLWGV-UHFFFAOYSA-N 330.406 1.113 0 40 EDAB Nc1nccc([C@H]2CCCN(C(=O)[C@H](N)Cc3ccc(F)cc3)C2)n1 72355912 IRERDQVPLDZDCY-DZGCQCFKSA-N 343.406 1.474 0 40 EDAB O=C(O)CCNC(=O)Cn1ccc2c(Br)cccc21 40287813 PYEVRPSUQCBQGL-UHFFFAOYSA-N 325.162 1.995 0 40 EDAB CCNC(=O)N1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1 68249926 ZEFGURYMKNPSTB-UHFFFAOYSA-N 342.399 1.026 0 40 EDAB O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1ccc(Br)o1 225785901 KESURABUMIYFLU-MRVPVSSYSA-N 338.161 1.413 0 40 EDAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)Cc1ccccc1 223268706 PLMICFVFLCTJPN-BZUAXINKSA-N 336.457 1.753 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 223296995 FIPULKXIVOSITH-UHFFFAOYSA-N 342.323 1.630 0 40 EDAB C[C@H](O)c1ccc(CCNC(=O)C(=O)NCc2ccccc2)s1 225689647 CTQVHEHUKIJIHK-LBPRGKRZSA-N 332.425 1.777 0 40 EDAB CCNC(=O)N1CCN2C(=O)N(Cc3ccc(OC)cc3)C[C@H]2C1 85436078 UVVHPPYBDMWEAL-CQSZACIVSA-N 332.404 1.347 0 40 EDAB biogenic,in-vitro O=C(CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O)NCc1ccc(F)cc1 583614673 BOLIOOBOFVGFGH-ZACQAIPSSA-N 336.407 1.304 0 40 EDAB CCc1ocnc1C(=O)NC[C@@H](CC)NC(=O)c1ncoc1CC 96417001 LHIYDEGTOACQDP-SNVBAGLBSA-N 334.376 1.726 0 40 EDAB CC[C@@H](C(=O)Nc1ccn(CCc2ccccn2)n1)N1CCCC1=O 96436265 XSIDLPSNWRYDDQ-HNNXBMFYSA-N 341.415 1.860 0 40 EDAB Cc1ccc(C(=O)N2CCn3cc(CNC(=O)CC4CC4)nc3C2)o1 96059456 IBKGVCRHLDPCFI-UHFFFAOYSA-N 342.399 1.857 0 40 EDAB Cn1cc(CN2CC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)cn1 96107639 KDSNMJCPSDTFFP-ROUUACIJSA-N 328.416 1.765 0 40 EDAB O=C(NCc1ccco1)[C@]12COC[C@H]1CN(CC1CCOCC1)C2 96208848 AWNJYEUMAXBKSI-CRAIPNDOSA-N 334.416 1.271 0 40 EDAB C[C@@H](CNC(=O)c1cnn[nH]1)Oc1cccc(Br)c1 96431855 CARIUNJNGZONAK-QMMMGPOBSA-N 325.166 1.765 0 40 EDAB Cc1noc(C[C@H]2CO[C@@H]3CN(C(=O)Cc4cccs4)C[C@@H]32)n1 96215712 XPLNFIHAICBNQQ-IACUBPJLSA-N 333.413 1.698 0 40 EDAB C[C@H](C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)n1cccc1 95448730 OINUCTJFSIBUIG-LLVKDONJSA-N 341.458 1.677 0 40 EDAB CCOCC(=O)N1CC[C@H](OC)[C@H]2CN(Cc3ccncc3)C[C@H]21 96109488 XRHRLXHICTVWPU-BBWFWOEESA-N 333.432 1.166 0 40 EDAB O=C(c1ccncc1)N1CC2(CCN(C(=O)c3cscn3)C2)C1 96046445 XEMDONLWJVDSRC-UHFFFAOYSA-N 328.397 1.526 0 40 EDAB Cc1ccc(N2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3ccco3)C2)nn1 96038899 XJIQFYOMCNDKTM-ARFHVFGLSA-N 342.399 1.536 0 40 EDAB O=S(=O)(NCCOCC(F)(F)F)c1cc(F)c(F)c(F)c1 96427670 CVAFYIUYQZQORQ-UHFFFAOYSA-N 337.241 1.961 0 40 EDAB O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@@H](CN2CCOCC2)C1 248818725 FGIWAMRKCPFTNX-LPHOPBHVSA-N 343.471 1.984 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 247846186 HBZFTVSGMGSPMW-OAHLLOKOSA-N 342.424 1.789 0 40 EDAB COC(=O)[C@]1(C)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230368 QBGQCINBSKQEPH-PVTKRXDGSA-N 336.775 1.147 0 40 EDAB COc1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)c(O)c1 257321643 WCNRHQWWTQRIDX-BFYDXBDKSA-N 334.416 1.508 0 40 EDAB CC(C)N1CCN(CC(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)CC1 257313975 UUWRISOMGGFITL-MRXNPFEDSA-N 333.480 1.217 0 40 EDAB O=C(CC1CC1)N1CC[C@@](O)(CN2CCN(c3ccccc3)CC2)C1 257264776 LVZMRJPAHYXDNG-HXUWFJFHSA-N 343.471 1.572 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 257203738 ARLMFTVXUNXBAB-IRXDYDNUSA-N 339.395 1.277 0 40 EDAB NS(=O)(=O)c1ccccc1NCCN1CCc2sccc2C1 585092975 WPCQBVBUKABWSA-UHFFFAOYSA-N 337.470 1.866 0 40 EDAB CC(C)C[C@@H](C)NC(=O)CNc1ccc(S(N)(=O)=O)cc1F 585121247 JSJPTPSAOMDNOQ-SNVBAGLBSA-N 331.413 1.436 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 257215261 CPJXWNQAXSBNNQ-CYBMUJFWSA-N 347.419 1.768 0 40 EDAB Cc1cc(C(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)no1 257217385 CYSJYVVMMKPAOM-QGZVFWFLSA-N 330.388 1.482 0 40 EDAB CCS(=O)(=O)NCC[C@@H]1CN(C2CCC2)Cc2ccnn2C1 253488603 BFDGYIWCIAROIP-CYBMUJFWSA-N 326.466 1.197 0 40 EDAB O=C(N[C@@H]1CN(CCc2ccc(F)cc2)C[C@H]1O)c1ccccn1 257230661 GDIGJPGRLNPIQB-IAGOWNOFSA-N 329.375 1.238 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cn3c(C)cccc3n2)n1 257293975 QRYBVMSGXRPHEK-AWEZNQCLSA-N 325.372 1.888 0 40 EDAB CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3F)CCN2C(C)(C)C1 253403928 QQUUOAAJYXOALJ-AWEZNQCLSA-N 333.407 1.593 0 40 EDAB biogenic,in-vitro CCOC[C@]1(N)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)CC 252516201 QMVAOSZZTJCWOU-KFWWJZLASA-N 327.402 1.050 0 40 EDAB CCOc1cc(C(=O)N2CCCO[C@@H](C)C2)ccc1OCC(=O)O 263550018 VYIWQKXKBHLSLW-LBPRGKRZSA-N 337.372 1.800 0 40 EDAB O=S(=O)(c1cccnc1)N1CC[C@H](Oc2ccncc2Cl)C1 575605863 NLPRWFVPCSAHBG-NSHDSACASA-N 339.804 1.972 0 40 EDAB CN1N=C(C(=O)N[C@@H](c2ccc(F)cc2)c2ncc[nH]2)CCC1=O 585124085 NSKCTWPTBBWEKV-AWEZNQCLSA-N 329.335 1.363 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)Cc3ccccn3)C2)c1 585277858 QFYOZPOTBZEMKG-LJQANCHMSA-N 326.396 1.975 0 40 EDAB O=C1CCCN1CC[C@@H]1CN(Cc2ccccn2)Cc2ccnn21 585111840 COUVOWZUWYUQGD-QGZVFWFLSA-N 325.416 1.848 0 40 EDAB CC(C)COC[C@@H]1CCn2nccc2CN1C(=O)c1cc(O)ncn1 585097618 NWFMVJVGJZUYCY-AWEZNQCLSA-N 345.403 1.466 0 40 EDAB CC(=O)NCC(=O)N[C@H]1CCCN(C(C)=O)[C@H]1Cc1ccc(F)cc1 585268992 GULQLORKHROUCY-IRXDYDNUSA-N 349.406 1.000 0 40 EDAB COCCN1CC[C@@]2(CN(Cc3ccncc3)CC(F)(F)C2)C1=O 585093114 CPWZZXUFAKOCIH-MRXNPFEDSA-N 339.386 1.788 0 40 EDAB COCc1ccccc1C(=O)NCCn1nc2ccccn2c1=O 57240467 WWGCPVFXCLIQAI-UHFFFAOYSA-N 326.356 1.072 0 40 EDAB CC(=O)N(CCC(=O)N(C)Cc1nccn1C)Cc1ccccc1 69349511 ORPBWYVKPFLYDL-UHFFFAOYSA-N 328.416 1.817 0 40 EDAB Cc1noc(CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)n1 66205621 HSHJWTXJPQWYEN-UHFFFAOYSA-N 343.387 1.938 0 40 EDAB Cc1ccc(CNC(=O)C2(C(C)C)COC2)cc1S(C)(=O)=O 1548451818 HJFVKXUGRJPMMK-UHFFFAOYSA-N 325.430 1.687 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N[C@H]1C[C@H]1c1ccccc1F 73423603 RPMIAVKPTJFYPT-JSGCOSHPSA-N 328.409 1.469 0 40 EDAB Cc1cnc(CN(C)[C@@H]2CCN([C@H](C(N)=O)c3ccc(F)cc3)C2)o1 84258645 LEGOSYZJYYOMHF-WBVHZDCISA-N 346.406 1.855 0 40 EDAB CN(C)Cc1cc(-c2noc([C@]34CNC[C@H]3COC4)n2)ccc1F 1615050913 NKCHFGJLZVXDOB-GUYCJALGSA-N 332.379 1.425 0 40 EDAB COc1cccc2c1CC[C@@]2(N)c1nc(CCN(C)C(C)=O)no1 1615058461 NHEDYFMACVMDOF-KRWDZBQOSA-N 330.388 1.248 0 40 EDAB CN(CCOc1cccc(Cl)c1)C(=O)[C@H]1NCc2ncncc21 1615615824 XETSVGMEAIHXNX-HNNXBMFYSA-N 332.791 1.812 0 40 EDAB CC[C@@H]1CN(C(=O)Cc2ccccc2)[C@H](CO)[C@@H]1CN1CCOCC1 1772595051 SFNQOUPTRTZECM-GUDVDZBRSA-N 346.471 1.407 0 40 EDAB Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccccc2F)c1=O 12146633 JVWRVPAGJRVTNO-UHFFFAOYSA-N 328.303 1.863 0 40 EDAB C[C@@H]1CCc2c(sc3ncn4c(=O)n(CCN(C)C)nc4c23)C1 12240215 TZGNQHGUZRZPAP-SNVBAGLBSA-N 331.445 1.792 0 40 EDAB COc1cc(S(=O)(=O)NCc2ccccc2)ccc1-n1cnnn1 15935976 JYQYEVXICHYEPE-UHFFFAOYSA-N 345.384 1.149 0 40 EDAB CNC(=O)c1cc(N(C)S(=O)(=O)c2cc(C)cc(F)c2)ccn1 152002470 PXGOAHZMUJLVAC-UHFFFAOYSA-N 337.376 1.714 0 40 EDAB Cc1ncsc1C(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 225506145 UGOZZJJPIQOPHE-GFCCVEGCSA-N 347.444 1.991 0 40 EDAB Cn1c(=O)c2ccccc2n2c(S[C@H]3CCCCNC3=O)nnc12 10422897 GVIQHXISZVMMCQ-LBPRGKRZSA-N 343.412 1.342 0 40 EDAB Cc1nnc(CN2CCN(c3nc(C4CC4)nc(C)c3F)CC2)o1 1888860291 NXLCRKGDWDHOAL-UHFFFAOYSA-N 332.383 1.815 0 40 EDAB Clc1cnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)nc1 1888869926 JBLNIDKHSITXNY-UHFFFAOYSA-N 342.794 1.432 0 40 EDAB COc1ccc(CNC(=O)CCn2ccn3nccc3c2=O)cc1 1888890530 AVUIMYMWJVIIGF-UHFFFAOYSA-N 326.356 1.211 0 40 EDAB COc1ccc(CNC(=O)c2ccc3nc(C)cn3n2)c(OC)c1 1888910384 UVVCPJMJNMLVBE-UHFFFAOYSA-N 326.356 1.985 0 40 EDAB CCN1C[C@H](C(=O)N[C@H](c2ccccc2F)c2nccn2C)CC1=O 28983205 JAIIWMPZENHUQJ-MLGOLLRUSA-N 344.390 1.633 0 40 EDAB O=c1c2ccccc2ncn1CC1CCN(Cc2ncon2)CC1 1776007985 QHUISNOYICUMNO-UHFFFAOYSA-N 325.372 1.692 0 40 EDAB Cc1cc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)ncn1 2086968301 IWWYVSVGCNQPKJ-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB COc1cnccc1C(=O)N1C[C@H]2O[C@H](C[C@H]2C(=O)NCC(C)C)C1 1565546304 YECCSBJUZSEVIK-XNRPHZJLSA-N 347.415 1.092 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccco2)c1 387237 YCTQHAATFOYQNT-ZDUSSCGKSA-N 336.413 1.880 0 40 EDAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)COC)cc2)nn1 9787071 QGZYFAKPZAMKFZ-UHFFFAOYSA-N 335.385 1.522 0 40 EDAB CC(C)CN1CC2(CCN(C(=O)C3CC3)CC2)[C@@]2(CCN(C)C2=O)C1 2055795981 DZRUDGAPEJCMNF-FQEVSTJZSA-N 347.503 1.825 0 40 EDAB Cc1nc([C@H]2C[C@H]3CCN(C(=O)c4ncnc(C)c4C)C[C@H]3O2)n[nH]1 2055772415 GQJNUMSMRRUUFD-MGPQQGTHSA-N 342.403 1.512 0 40 EDAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)C(C)(C)C)C2 2055814244 XFFOEQYIZFRKGU-SFHVURJKSA-N 330.432 1.377 0 40 EDAB O=C(/C=C/c1cccs1)N1CC[C@@]2(C[C@@H](n3cnnc3)CO2)C1 2055839589 VMTGEEKNSMWRGE-UOYPKJBKSA-N 330.413 1.986 0 40 EDAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccno1 207996259 FDPHVFVGRYTMLS-GFCCVEGCSA-N 326.312 1.963 0 40 EDAB COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc2nc(C)[nH]c2c1 12116869 FKLDACFVTINMBD-AWEZNQCLSA-N 327.344 1.109 0 40 EDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)NCc1cccc(Cl)c1 101501224 JKCVQKHJTLRHIB-UHFFFAOYSA-N 345.790 1.628 0 40 EDAB Cc1noc([C@H](C)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 30198895 OTCXRJJVKGZSHW-LBPRGKRZSA-N 332.379 1.965 0 40 EDAB C[C@H]1Sc2ccc(C(=O)NCCNc3ncccn3)cc2NC1=O 40535577 DXNCFZCREKMHLC-SNVBAGLBSA-N 343.412 1.751 0 40 EDAB CCCCNc1nc(-c2c(N)n(CCC)c(=O)n(C)c2=O)cs1 8296740 NHUDMZWUOWMODO-UHFFFAOYSA-N 337.449 1.875 0 40 EDAB Cn1ccnc1CN1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 69251859 PLIQOOPTZAOFTG-QGZVFWFLSA-N 339.443 1.343 0 40 EDAB Cc1nnc(SCc2ccc(Br)cc2)n(N)c1=O 2455514 QZVONZSWZSZZFF-UHFFFAOYSA-N 327.207 1.715 0 40 EDAB C[P@@](=O)(c1nccn1-c1ccc(N2CCCC2)nn1)N1CCCC1 3193148 VDJICPGXBCFMHH-XMMPIXPASA-N 346.375 1.892 0 40 EDAB O=C(CN1CCCSc2ccccc21)N[C@H]1CCS(=O)(=O)C1 32511259 VQCPAEAHGDITCT-LBPRGKRZSA-N 340.470 1.292 0 40 EDAB CCc1ncc2c(n1)CN(CC(=O)NCc1ccccc1OC)CC2 70007761 PJBTYQZIGNNBOJ-UHFFFAOYSA-N 340.427 1.722 0 40 EDAB CN1CCN(CC(=O)NCc2ccccc2OC(F)(F)F)CC1 29596820 DEQVEHXRDVRVHU-UHFFFAOYSA-N 331.338 1.449 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(OC)cc2)n1 57316491 FABSJBHBCVLZLY-RMKNXTFCSA-N 346.416 1.618 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 107231769 WKAQEUJBHFKQTF-RVZJWNSFSA-N 342.399 1.101 0 40 EDAB CN(C)[C@H](CNC(=O)C(=O)Nc1cccnc1)c1ccc(F)cc1 10020064 VUAXBJMOGJMFJI-OAHLLOKOSA-N 330.363 1.578 0 40 EDAB CCn1c(CCc2ccccc2)nnc1SCC(=O)NCCOC 8090105 SXFYYBRVJCIIEB-UHFFFAOYSA-N 348.472 1.938 0 40 EDAB Cn1ncc2c(NCc3cccc(CN4CCOCC4)c3)ncnc21 52429163 QMEQOMIWMKDUTA-UHFFFAOYSA-N 338.415 1.808 0 40 EDAB COc1c(CNC[C@H](c2ccccc2)N2CCOCC2)c(C)nn1C 69347267 NLLZTFYVYYCQQP-GOSISDBHSA-N 344.459 1.900 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)CCOc2ccccc2)CC1 32907614 QCBLTVWOVAZULA-UHFFFAOYSA-N 340.445 1.386 0 40 EDAB CC(C)NC(=O)N1CCC[C@@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C1 32912943 RNIMGFNQWHRRFJ-GFCCVEGCSA-N 329.404 1.753 0 40 EDAB Cc1nc([C@H](NC(=O)c2ccc(C(N)=O)o2)c2ccccc2F)no1 89718124 TUBCAUPIVDSESJ-CYBMUJFWSA-N 344.302 1.728 0 40 EDAB CC(=O)NCCC(=O)Nc1cccc(Cl)c1N1CCOCC1 21901790 PHLDYAYKDFDBJJ-UHFFFAOYSA-N 325.796 1.641 0 40 EDAB O=C([C@H]1CCC[C@]12CCN(Cc1ccccn1)C2)N1CCOCC1 108526209 HQOIDYKVQMPOSK-IEBWSBKVSA-N 329.444 1.933 0 40 EDAB O=C(Nc1ncn(Cc2cccc(F)c2)n1)c1nc2ncccn2n1 2808854 LRPOMKNOCBMJLR-UHFFFAOYSA-N 338.306 1.156 0 40 EDAB CCN1CCN(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 22942289 CNOCMXOXQHUOGZ-CQSZACIVSA-N 333.432 1.273 0 40 EDAB CCC(=O)N1CCN(c2ccccc2[C@@H]2C[C@@H](C(N)=O)CC2=O)CC1 57328028 ZRJJINSWELEWMP-HIFRSBDPSA-N 343.427 1.293 0 40 EDAB O=C(Cc1ccc(F)cc1)NC[C@H]([C@H]1CCOC1)N1CCOCC1 47635890 ZZAJKZFDCPXPKQ-DOTOQJQBSA-N 336.407 1.222 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 106661776 XGENZOVFVGYNEG-HZPDHXFCSA-N 333.432 1.806 0 40 EDAB CCc1ccsc1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 69453375 UKDBCGYQHCGIFU-AWEZNQCLSA-N 335.473 1.865 0 40 EDAB C[C@H](OCc1ccccc1)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 106909514 BZHJFLNDPJJQCE-RYQLBKOJSA-N 332.444 1.649 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)NC1CCN(c2ncccn2)CC1 56058962 NQECEKUTUMGTJV-ZDUSSCGKSA-N 339.465 1.154 0 40 EDAB CNC(=O)CNC(=O)c1c(-n2cccc2)sc2c1CCSC2 25602669 LVYIAUSJNQDUDC-UHFFFAOYSA-N 335.454 1.804 0 40 EDAB COC(=O)N(C)CC(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 56436898 IBKWSKBLNOJSNL-UHFFFAOYSA-N 327.768 1.679 0 40 EDAB COc1ccc(-c2nc(C(=O)O[C@@H](C)C(N)=O)cs2)cc1OC 25842320 ISGIJYJFEMPKKA-QMMMGPOBSA-N 336.369 1.858 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccc3c(c1)CCN3C(C)=O)C2 69458041 BKFFDUMMCMKWEV-UHFFFAOYSA-N 339.399 1.406 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)NCCc1ccccc1 58015082 QCPKFKIBCNEKAT-UHFFFAOYSA-N 339.399 1.428 0 40 EDAB COc1ccc(OC)c(-c2csc(CN3C(=O)CNC3=O)n2)c1 58158563 JZERSBZAPWNLJJ-UHFFFAOYSA-N 333.369 1.879 0 40 EDAB C[C@@H](NC(=O)C1=Cc2ccccc2OC1)C(=O)NCc1ccco1 58282326 XFDFGUQIMASWQF-GFCCVEGCSA-N 326.352 1.877 0 40 EDAB Cc1ccccc1OCCCn1cnc2c1c(=O)n(C)c(=O)n2C 58292727 PZZTYJYEFZQKON-UHFFFAOYSA-N 328.372 1.211 0 40 EDAB COc1cccc([C@@H](C)N(c2cnn(C)c2)S(=O)(=O)N(C)C)c1 58296967 DUYOCLAXLZJFNZ-GFCCVEGCSA-N 338.433 1.803 0 40 EDAB CCc1nc(Cn2c(-c3ccc(OC)c(OC)c3)noc2=O)no1 58292864 MBRXURNZPGNVBM-UHFFFAOYSA-N 332.316 1.514 0 40 EDAB Cc1nc(CCNC(=O)NCCN2C[C@H](C)O[C@@H](C)C2)cs1 44953659 ZJNMDMVLIAYYEJ-RYUDHWBXSA-N 326.466 1.402 0 40 EDAB COc1nc(C(=O)N2CCN(C(=O)N(C)C)CC2)cc2ccccc12 58305572 FJXJCAJTHVFVPT-UHFFFAOYSA-N 342.399 1.683 0 40 EDAB CCCN1CCN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 58764706 XECNGPCVSMJEDQ-UHFFFAOYSA-N 325.478 1.465 0 40 EDAB COc1ccc(CNC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1 12847615 BLIBWOHEOZUAMG-KRWDZBQOSA-N 335.448 1.851 0 40 EDAB CC(C)c1nnc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)s1 12822865 BFZMTBZXFRWYFR-UHFFFAOYSA-N 348.384 1.759 0 40 EDAB CCCCS(=O)(=O)N[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 12872961 WUNAORNVFLKQLK-NSHDSACASA-N 342.417 1.140 0 40 EDAB CN1CCN(CCCNC(=O)COc2ccc(Cl)cc2)CC1 22934727 PBAVJIQKHRSIEF-UHFFFAOYSA-N 325.840 1.473 0 40 EDAB Cn1cc([C@H]2[C@@H](C(=O)O)CC(=O)N2CCOc2ccccc2)cn1 69567476 UDUKGODZFNTHIU-HOCLYGCPSA-N 329.356 1.473 0 40 EDAB COC(=O)c1cccc(NC(=O)c2cnc3sccn3c2=O)c1 9154522 IHOMFMQDKFYPIL-UHFFFAOYSA-N 329.337 1.795 0 40 EDAB CS(=O)(=O)CCN1CCO[C@@H](c2ccc(Br)cc2)C1 49068763 DAFCGHZZRFUVDQ-CYBMUJFWSA-N 348.262 1.867 0 40 EDAB CC(C)CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 13371323 FJFANCGSWAHRKD-GJZGRUSLSA-N 345.486 1.262 0 40 EDAB CCn1cc(S(=O)(=O)NCc2nc3ccccc3n2CC)cn1 69743254 SSKUAIICMMXZTC-UHFFFAOYSA-N 333.417 1.751 0 40 EDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(Cl)cc1 13540992 JUUZLAAIYGKZRW-UHFFFAOYSA-N 343.774 1.935 0 40 EDAB Fc1cc(CN2CCO[C@@H](Cn3cncn3)C2)c2ncccc2c1 69814193 ONLILKQURYBEPY-MRXNPFEDSA-N 327.363 1.866 0 40 EDAB CN(C)CCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4435492 VKVOCPJCJPHUEK-INIZCTEOSA-N 345.374 1.089 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc(F)ccc2F)C1 65401440 BMHAXGJEGJFHAK-SNVBAGLBSA-N 332.372 1.366 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@@H](C)OC(C)(C)C3)cc12 65625944 WWFNZRPKORPMLL-SNVBAGLBSA-N 338.433 1.465 0 40 EDAB Cc1nc2nc(C(=O)N3CCCC3)nn2c(O)c1Cc1ccccc1 18221997 IXGNWGZVDJUTIK-UHFFFAOYSA-N 337.383 1.965 0 40 EDAB COc1ccc(CNC(=O)CCC(=O)NCc2ccccn2)cc1 4663714 ZYMXTBVWHJVWBJ-UHFFFAOYSA-N 327.384 1.803 0 40 EDAB C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 5700682 IMGMNTCBIYDKOG-WCBMZHEXSA-N 345.804 1.881 0 40 EDAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)N1CCCCC1 7347418 WGMGAPXNJWVDAJ-UHFFFAOYSA-N 346.456 1.919 0 40 EDAB O=C(CSc1ncn[nH]1)NCC1(N2CCOCC2)CCCCC1 19312921 XWLZVGIVQIPWTP-UHFFFAOYSA-N 339.465 1.048 0 40 EDAB C[C@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)cc1 7630673 URFBZOZLIYRMPI-WDEREUQCSA-N 343.376 1.521 0 40 EDAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCN(c2ncccn2)CC1 8073919 LLDIBYJSXVZIPU-UHFFFAOYSA-N 346.774 1.821 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2cccc(-c3ccccn3)c2)C1 93531256 RSXOYXRJVMQSNK-MRXNPFEDSA-N 331.441 1.872 0 40 EDAB O=C(NCc1cn2ccccc2n1)N1CCN(c2ncccn2)CC1 9735790 ZDDMOCBUUCNFCR-UHFFFAOYSA-N 337.387 1.156 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1CCCC[C@@H]1Cn1cncn1 71876213 KQTHGDXKMOLDOF-OAHLLOKOSA-N 333.461 1.853 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1C[C@H](O)COCc1cccs1 71855434 VUSWSQSXUAUEKP-HZMBPMFUSA-N 342.442 1.053 0 40 EDAB NC(=O)[C@H](CNC(=O)COc1ccc(F)cc1)Cc1ccc(F)cc1 71841560 ODWAFRRWDNQCGX-ZDUSSCGKSA-N 348.349 1.804 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2ccc(-c3nc(C)no3)cc2)CC1 71880984 ICGTUZCZABPJPY-MRXNPFEDSA-N 344.415 1.574 0 40 EDAB O=C1CCN(C(=O)c2nc(N3CCCCC3)ncc2Cl)CCN1 71839502 NVHONHBJVYPQLX-UHFFFAOYSA-N 337.811 1.082 0 40 EDAB CN1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1 96569064 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326.828 1.503 0 40 EDAB COC[C@@H](NC(=O)c1cc(C)c(Br)cc1C)C(N)=O 95454042 KVLXBQJIHAJZEP-LLVKDONJSA-N 329.194 1.296 0 40 EDAB COc1ccc(NC(=O)N[C@@H]2CCC(=O)NC2=O)cc1OC(F)F 95454888 MHPXSQPVSRXYQN-MRVPVSSYSA-N 343.286 1.223 0 40 EDAB N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 95426452 FURFCPKEEWQVCB-SFHVURJKSA-N 343.471 1.808 0 40 EDAB CCOc1nnc(CN2CC[C@@H](N(C)Cc3ncc(C)o3)C2)s1 84811045 JTVLRCYSEDVMTE-GFCCVEGCSA-N 337.449 1.940 0 40 EDAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)n1 76046298 JAMRQRVAXOAFBV-CYBMUJFWSA-N 344.419 1.916 0 40 EDAB CC(=O)N1CC(NC(=O)[C@H](C)Cc2ccc(Br)cc2)C1 95980181 URQQMYAQICWJPL-SNVBAGLBSA-N 339.233 1.975 0 40 EDAB Cc1noc(C)c1CNC(=O)C1(NS(C)(=O)=O)CCCCC1 95955279 JBDSVRXUFHAANB-UHFFFAOYSA-N 329.422 1.160 0 40 EDAB CCOC(=O)c1cc(S(=O)(=O)NCCc2cccnc2)cn1C 95940395 QWEGKPONEAQHCN-UHFFFAOYSA-N 337.401 1.118 0 40 EDAB CCc1ccc([C@@H]2CCCN2S(=O)(=O)NCc2noc(C)n2)o1 78881054 QKYNEQRTPVDNPL-LBPRGKRZSA-N 340.405 1.705 0 40 EDAB CC[C@@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)C[C@H](C)O1 78925428 XHINUBBTYIQSLL-DZGCQCFKSA-N 325.453 1.892 0 40 EDAB C[C@@H](NS(=O)(=O)N(C)C)[C@H](O)c1ccc(Br)cc1 89598502 LYPZQKWRJIBQCY-KCJUWKMLSA-N 337.239 1.267 0 40 EDAB Cc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(=O)[nH]1 75118995 IFOLOVJYNLWNHO-LLVKDONJSA-N 334.397 1.578 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)CNc2ccc(F)c(C(F)(F)F)c2)C1 79062152 TYIBHKNXMLATCG-SECBINFHSA-N 347.312 1.980 0 40 EDAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1ccc2c(c1)OCCO2 22864087 ZNFDJDFYHDTIPH-INIZCTEOSA-N 347.459 1.143 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 409280307 KTLHBGHSBJYCFA-XJIUQZFPSA-N 347.754 1.716 0 40 EDAB CCN(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CN 79392913 HQQBSBJDMPDQRP-INIZCTEOSA-N 333.432 1.985 0 40 EDAB O=C(Nc1ccc(F)cc1)N[C@H]1CCN(CCN2C(=O)CCC2=O)C1 78978628 ITPMTQYCUZGOID-AWEZNQCLSA-N 348.378 1.171 0 40 EDAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCO)[C@]1(C2)NC(=O)c2ccccc2N1 72326945 HWWAOQAOTRGOBO-BYNNNNKLSA-N 343.427 1.473 0 40 EDAB N[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218159531 BQBRZHSUXSBZFO-ULQDDVLXSA-N 347.392 1.045 0 40 EDAB CC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1cccnc1)CC2 70638406 OJVDUVGENJRIBE-UHFFFAOYSA-N 338.414 1.244 0 40 EDAB O=C(NCc1cccs1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 70815894 YNUSBFQMVXXFQG-UHFFFAOYSA-N 344.392 1.865 0 40 EDAB O=C(CCNC(=O)c1cc2ccccc2c(=O)[nH]1)Nc1cccnc1 68127545 CNUNLRCNUUBYLR-UHFFFAOYSA-N 336.351 1.682 0 40 EDAB Cc1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)cc1F 78618977 OYEABDVTYFMNAN-UHFFFAOYSA-N 346.449 1.243 0 40 EDAB O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc2c(c1)OCO2 78986985 NHORTNDCCOOKMH-VIFPVBQESA-N 330.262 1.308 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCN(c2ccccc2)CC1 45956109 RZDINDFKDRVQDG-UHFFFAOYSA-N 348.410 1.554 0 40 EDAB COc1ccnc(N2CCN(Cc3csc(C(=O)O)c3)CC2)n1 563279459 UZOKZJYZNCZDJD-UHFFFAOYSA-N 334.401 1.567 0 40 EDAB O=C(NCc1nccc(N2CCOCC2)n1)Nc1ccc(F)cc1 224171440 GVZOPLSVKRKYTJ-UHFFFAOYSA-N 331.351 1.774 0 40 EDAB Cn1ncc(C(=O)NC2(CNC(=O)c3cccc(F)c3F)CCC2)n1 1064258277 BZDJXJVKVFMVLL-UHFFFAOYSA-N 349.341 1.176 0 40 EDAB COc1cc(C)c(NC(=O)C2(NS(C)(=O)=O)CCCCC2)cn1 225958527 PWHZORNANLJXBT-UHFFFAOYSA-N 341.433 1.589 0 40 EDAB COc1ccc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 49410348 OQEUVTQZXKCWMX-UHFFFAOYSA-N 348.424 1.690 0 40 EDAB O=C([C@H]1OCCc2ccccc21)N1CC[C@H](Oc2cccnn2)C1 225417386 RWSTUEMXXCEIAU-YOEHRIQHSA-N 325.368 1.770 0 40 EDAB COc1ccccc1OCCNC(=O)C(=O)Nc1cccc(O)c1 44890466 FIPRJYNVVRRGKV-UHFFFAOYSA-N 330.340 1.535 0 40 EDAB COc1cc(C(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cc2c1OCCO2 570404368 NXOCZCXQSVJFQM-XJFOESAGSA-N 329.352 1.492 0 40 EDAB O=C(c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)N1CCCCO1 526942369 KQYWABOUEYXRQJ-UHFFFAOYSA-N 347.396 1.472 0 40 EDAB O=C(O)[C@H]1C[C@@H](N2CCCC2)CCN1C(=O)Cc1cccc(F)c1 96069021 ZZVXJKSJDBYVRC-JKSUJKDBSA-N 334.391 1.908 0 40 EDAB O=C(CN1CCO[C@@H](c2nccs2)C1)NCCc1cccs1 97199689 WLZYYVAAUYBPHJ-CYBMUJFWSA-N 337.470 1.937 0 40 EDAB c1cc(CN2CCOC[C@@]3(C2)CN(Cc2ccoc2)CCO3)ccn1 96229436 MQQHBZONCKHDLI-LJQANCHMSA-N 343.427 1.778 0 40 EDAB Cc1cc(NC(=O)N2CCO[C@@H]([C@H](C)O)C2)nn1C1CCCCC1 332613981 CIEHCALRQZVPPG-DZGCQCFKSA-N 336.436 2.310 0 40 EDAB CCS(=O)(=O)N1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 96042187 LRMSALKZDFMFBN-SOUVJXGZSA-N 326.418 1.180 0 40 EDAB Cc1ccc(CN2CCn3cc(CNS(C)(=O)=O)nc3C2)s1 96197400 XLOOVPPSRLKUKB-UHFFFAOYSA-N 340.474 1.318 0 40 EDAB Cc1nn(C)c2[nH]nc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)c12 96406189 LTUDYEODLQKIDP-SNVBAGLBSA-N 342.359 1.185 0 40 EDAB O=C(NC[C@H]1Cn2c(-c3ccccc3)cnc2CO1)c1cnccn1 96296419 SIMWCFVONLUJCD-AWEZNQCLSA-N 335.367 1.669 0 40 EDAB biogenic,in-vitro Cc1ccc(CN2CC[C@]3(C[C@H](OCC(=O)N4CCCC4)CO3)C2)o1 96209437 KQGJWHASHLUVEW-HKUYNNGSSA-N 348.443 1.960 0 40 EDAB C[C@H](CNC(=O)N1CCN([C@H](C)C(F)(F)F)CC1)N(C)C1CC1 96455065 RTYKYMFKGSDZCW-VXGBXAGGSA-N 336.402 1.747 0 40 EDAB Cc1ccc(CCN(C[C@H]2CCCO2)S(=O)(=O)N(C)C)cc1 96428696 XVUHVXYQYSXEJH-MRXNPFEDSA-N 326.462 1.825 0 40 EDAB O=C1CO[C@]2(COCCN(Cc3ccoc3)C2)CN1c1ccoc1 96051393 DHRTYEISIZZWMB-KRWDZBQOSA-N 332.356 1.507 0 40 EDAB O=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)c3cscn3)CC2)N1 96199931 IGOBRKKDSMPOFE-ZDUSSCGKSA-N 342.424 1.817 0 40 EDAB O=C(NCCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccccc1F 96461614 YGEMFUGEWLDDAM-HMEQZMJYSA-N 342.370 1.753 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNC(=O)NCC[S@](C)=O)cc2)n1 96408760 PVVVWPSFNXOLOL-XMMPIXPASA-N 348.472 1.709 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1Cc1ccncc1 96200763 VOBKCRPUCMXTNR-IRXDYDNUSA-N 329.400 1.899 0 40 EDAB COc1cc(N2CC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)ncn1 248026495 GUMYCVTZIYWLJF-GUYCJALGSA-N 342.403 1.149 0 40 EDAB CC(=O)c1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1 244116259 UKNZBDGTDDYCKN-UHFFFAOYSA-N 326.356 1.768 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2cccnc2C)n1 257268450 MLSNPCMVQFHJCA-KRWDZBQOSA-N 339.399 1.793 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)s1 253370741 VIRFRAYSSLPWNB-IACUBPJLSA-N 344.502 1.738 0 40 EDAB CNC(=O)[C@H]1CN(C(C)C)CCN1C(=O)CCOc1ccccc1 257284909 PEUUMPUJAOGUJW-MRXNPFEDSA-N 333.432 1.123 0 40 EDAB CCn1cc(CN2CCc3nc(C4CCNCC4)nc(O)c3C2)cn1 257296935 RFBYEVCLFVOLQI-UHFFFAOYSA-N 342.447 1.424 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC(Cc3ccncc3)CC2)n1 257242975 IEZUXASEZIPNJO-UHFFFAOYSA-N 326.400 1.428 0 40 EDAB O=C(Cc1cccs1)N1CC[C@H](Nc2ccc3nccn3n2)C1 584339252 WODXQNAZRNIVGL-LBPRGKRZSA-N 327.413 2.046 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccncc2)C1 257252198 JTWYLHDDZLTOHR-IBGZPJMESA-N 343.402 1.930 0 40 EDAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)c1cn(C)cn1 257254141 KBVJZYJYIIYGEP-OPNNQBFTSA-N 348.491 1.896 0 40 EDAB Cc1ncc(CNC(=O)Cc2cccnc2)c([C@@H]2CCCN2C)n1 257216666 CVPKWZORBQEKEC-INIZCTEOSA-N 325.416 1.806 0 40 EDAB Cc1ocnc1C(=O)N1CCO[C@H](CCc2ccnc(N(C)C)c2)C1 257315140 VAARHKPKPPDAAW-OAHLLOKOSA-N 344.415 1.918 0 40 EDAB CC(C)(COC(=O)CN1CCCCCCC1=O)N1CCNC1=O 585081017 AFKUEVYPFQTAPC-UHFFFAOYSA-N 325.409 1.126 0 40 EDAB COCCN(C)CCN1C[C@@H](NC(=O)c2c(C)cccc2C)CC1=O 585087895 AGQAYLMTDUPPLE-INIZCTEOSA-N 347.459 1.212 0 40 EDAB C[C@H](CC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)N1CCCC1=O 585121220 ITHMGORVMHCLJQ-HIFRSBDPSA-N 335.448 1.152 0 40 EDAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(CC(=O)N=S(C)(C)=O)C1 585116627 CUTGBQYZMOGPED-OLZOCXBDSA-N 331.482 1.257 0 40 EDAB O=C(N[C@H](CO)C(=O)N1CCCSCC1)OCc1ccccc1 585122341 XHDIYRHIJJGGJG-CQSZACIVSA-N 338.429 1.239 0 40 EDAB CNC(=O)[C@@H]1COC2(CN(Cc3sccc3C)C2)CN1CC1CC1 253598659 FMDNNVTUPKXJNB-HNNXBMFYSA-N 349.500 1.468 0 40 EDAB O=S(=O)(c1ccc(I)cc1)n1cncn1 256055316 BMBIPCYWJZFUOA-UHFFFAOYSA-N 335.126 1.120 0 40 EDAB NCCOc1cccc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)c1 257325891 WUXHBSLOPXOMOM-MRXNPFEDSA-N 334.416 1.170 0 40 EDAB O=C(CCc1c(F)cccc1Cl)N1CC(N2C(=O)CNC2=O)C1 575605825 NGJCNEWJHYLIDJ-UHFFFAOYSA-N 339.754 1.174 0 40 EDAB COc1cc(-c2cnc3n2CCN(C(=O)[C@H]2C[C@@H]2C)CC3)ccn1 585111096 DELIARZNRAQQRT-JSGCOSHPSA-N 326.400 1.994 0 40 EDAB Cc1cccc(OC[C@@]2(O)COCCN(C(=O)C3CCOCC3)C2)c1 585269268 NSNOUCUSMASORJ-IBGZPJMESA-N 349.427 1.390 0 40 EDAB Cc1ncsc1C(=O)NC1CCN(C(=O)Nc2cn[nH]c2)CC1 51236218 VVPNLBFDXNRMCD-UHFFFAOYSA-N 334.405 1.601 0 40 EDAB O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1n[nH]c(=O)c2ccccc12 66842241 CSNGSUVAAGWRAR-UHFFFAOYSA-N 349.350 1.919 0 40 EDAB C[C@@H]1CN(C[C@H](O)CN2CCCC[C@@H]2Cn2cccn2)C[C@@H](C)O1 69632164 GLAIMEACWDZGDN-TVFCKZIOSA-N 336.480 1.208 0 40 EDAB CN(C)c1nc(N)nc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)n1 72867115 VYJWRGCVTRIXMT-GJZGRUSLSA-N 342.447 1.608 0 40 EDAB Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 73350628 QZRNUEGRAGKENL-MRXNPFEDSA-N 345.443 1.504 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 76087330 WPWDBKCGARJBCV-MAZHCROVSA-N 349.479 1.130 0 40 EDAB Cc1cc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)nc(C)n1 302877453 GANMOQRMFNTDOZ-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC(C(=O)Nc2cccnc2)CC1 79110964 PRIOIWWSKGCBME-UHFFFAOYSA-N 340.449 1.319 0 40 EDAB COCCNS(=O)(=O)c1cc(F)ccc1NCCc1ccco1 1615050794 KANMVQKUUYRXCJ-UHFFFAOYSA-N 342.392 1.998 0 40 EDAB COC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@@H](C)c1cccc(F)c1 1615550046 POAOKRKYEYPRCO-NHYWBVRUSA-N 333.363 1.563 0 40 EDAB CCn1ncc(C(=O)N2CCC(N3CCC[C@H]3C(=O)OC)CC2)c1C 1615586272 LXTSYOFMTUXTJN-INIZCTEOSA-N 348.447 1.453 0 40 EDAB C/C=C/C(=O)O[C@@H]1C=C[C@H](OC(C)=O)[C@@H](O)CCC(=O)O[C@@H]1C 1772591553 DXWCPEHGKOCJTG-UVPGWWTLSA-N 326.345 1.049 0 40 EDAB O=C(CS(=O)(=O)c1ccccn1)c1cc2ccccc2oc1=O 5800569 AJKYOKWFFXFGOS-UHFFFAOYSA-N 329.333 1.845 0 40 EDAB O=C1NC[C@]2(CCCN(C(=O)n3ccnc3)C2)Oc2ccccc21 12087140 RQHGFJUJLZDXPC-KRWDZBQOSA-N 326.356 1.508 0 40 EDAB CCCCNC(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1OC 13581103 PNWDOBAIEDARSW-UHFFFAOYSA-N 346.424 1.761 0 40 EDAB CCCc1nnc(SCC(=O)Nc2cc(C)on2)n1CCOC 15935892 RYFIEIJZAPJQLG-UHFFFAOYSA-N 339.421 1.904 0 40 EDAB CCN(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 16678372 KLPWMCGCDMTNAQ-UHFFFAOYSA-N 333.413 1.409 0 40 EDAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1c(C)nn(C)c1C 225711417 DFRQTJOHWOVWJB-IBGZPJMESA-N 343.427 1.999 0 40 EDAB Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)CCn3cnnn3)nc2c1 12221584 WWMAMRGERIDMIW-AWEZNQCLSA-N 325.376 1.612 0 40 EDAB Cc1cc(C)n(CCNC(=O)c2cccnc2O[C@H]2CCOC2)n1 245015313 LVSCNSOIECNLHK-AWEZNQCLSA-N 330.388 1.493 0 40 EDAB CCCc1cc(C(=O)N2C[C@H](NC(C)=O)CC23CCNCC3)no1 19704045 DEPQLDZRLLJYJG-CYBMUJFWSA-N 334.420 1.100 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)c2cc3n(n2)CCOC3)C1 585140920 LIZZCNVEBCDFBS-ZDUSSCGKSA-N 329.404 1.650 0 40 EDAB COCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCO[C@@H](C(C)C)C1 1066567983 XCHKVSNRJLPQSO-HZPDHXFCSA-N 342.480 1.781 0 40 EDAB O=C1CN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CCN1 10888120 FMSUJSCMWZKEIF-NSHDSACASA-N 339.804 1.101 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(c2ccc(C3CC3)nn2)C1 827736465 UEKPHOVZGONIJM-GJZGRUSLSA-N 330.432 1.866 0 40 EDAB CCOc1cccc2sc(N3CC[C@]4(C3)NC(=O)NC4=O)nc12 1888864318 OIUSVCCECUDRRR-OAHLLOKOSA-N 332.385 1.483 0 40 EDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)C5CCC5)C[C@@H]4C3)ncnc21 1888866817 WWQZJAXMCZXWHI-KBPBESRZSA-N 340.431 1.541 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccc3[nH]ccc3c2)CCN(C(C)=O)C1 1848352042 JUJVKBSQQRCVJN-MRXNPFEDSA-N 328.416 1.194 0 40 EDAB O=C(CN(Cc1ccco1)C(=O)[C@@H]1COCCO1)Nc1ccccc1 24865132 DSUKCAKBXNNWCM-INIZCTEOSA-N 344.367 1.662 0 40 EDAB O=C(C[C@H]1C=CCC1)N1CCN(c2nnnn2-c2ccccc2)CC1 30669953 SDPBGGHQCLPEJM-HNNXBMFYSA-N 338.415 1.667 0 40 EDAB COc1ncccc1CNC(=O)c1ccc(OC[C@H]2CCCO2)nc1 244909693 ARSIMKLDOAWAIN-OAHLLOKOSA-N 343.383 1.973 0 40 EDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1c(F)cccc1F 2037971264 OAMDUIWLNZOHDR-ZSYWTGECSA-N 349.377 1.474 0 40 EDAB CCC(=O)N[C@@](Nc1nc(C)cs1)(C(=O)OC)C(F)(F)F 17029200 KANAXVRBOVCOSM-SNVBAGLBSA-N 325.312 1.821 0 40 EDAB CC(C)n1nc(C(=O)N2CCc3nc4ncccc4cc3C2)ccc1=O 1890083951 WXJABAHJIYXDCT-UHFFFAOYSA-N 349.394 1.966 0 40 EDAB COc1ccc(OC)c(-c2cc(C(=O)NCc3nc(C)no3)[nH]n2)c1 38680782 WCJGXTZRJJKBDR-UHFFFAOYSA-N 343.343 1.715 0 40 EDAB Cc1ccc(CCC(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)cc1C 225701217 YYBZOUZIKMDOLA-OAHLLOKOSA-N 330.384 1.816 0 40 EDAB O=S(=O)(Cc1ccccc1F)N1CC[C@@H](Oc2ccncn2)C1 575612749 MEKKPIRVFJXDPG-CYBMUJFWSA-N 337.376 1.599 0 40 EDAB CC(C)=CC(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147626 ISTOHAQYMNKJNR-UHFFFAOYSA-N 335.429 1.803 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2nnnn2-c2cccc(F)c2)cc1 10594559 QPQAHEVGUKXXIC-UHFFFAOYSA-N 347.375 1.588 0 40 EDAB CCCn1nnnc1CN1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 96444946 YJLMMWFWRONLEC-CQSZACIVSA-N 343.435 1.637 0 40 EDAB CNCCNc1c(F)cc2c(=O)c(C(=O)O)cn3c2c1OC[C@@H]3C 65739903 DTSGFABJBJMJFG-QMMMGPOBSA-N 335.335 1.424 0 40 EDAB in-vitro O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc[nH]c1=O 30173724 YZOWPJHVTUEDFS-AWEZNQCLSA-N 327.340 1.745 0 40 EDAB C[C@@H](CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1 40463244 JFKGPXQWLGHYAF-ZDUSSCGKSA-N 345.424 1.404 0 40 EDAB CCCCN1C(=O)NC(=O)/C(=C(/CC)NCCCn2ccnc2)C1=O 20326655 YWGWVVZMBCHRGP-BUHFOSPRSA-N 347.419 1.405 0 40 EDAB O=C(NC1CC1)[C@H]1CCCN1c1ccc2nnc(C(F)(F)F)n2n1 40511180 MZPCPMVKFONJAV-SECBINFHSA-N 340.309 1.391 0 40 EDAB CNC[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 40597528 QMIBGMVXYRVXFD-LLVKDONJSA-N 332.853 1.969 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)[C@H](C)n3cccn3)cn2)CC1 40541131 ZUNSQYKQTJZUDD-HNNXBMFYSA-N 342.447 1.297 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccoc2)n2ncnc2N[C@]1(O)C(F)(F)F 36612192 XSVAACVPRQYBTK-HOTUBEGUSA-N 346.265 1.316 0 40 EDAB Cc1cccc2c(=O)n(CCCC(=O)N3CCO[C@@H](C)C3)cnc12 11503286 OOALCWPHNGOMTH-AWEZNQCLSA-N 329.400 1.732 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)NCc1ccccc1Cn1cncn1 45895446 RMHAKLJSSGTWIK-HNNXBMFYSA-N 343.431 1.894 0 40 EDAB CCN1CCC(NC(=O)NCC(=O)N2CCc3ccccc3C2)CC1 69666352 SSOQTUJCYGMGGA-UHFFFAOYSA-N 344.459 1.355 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)C[C@@H](C)O1 3296599 OEQFUZRYEZVPSD-RKDXNWHRSA-N 333.793 1.836 0 40 EDAB CC(=O)NCCC(=O)OCC(=O)NC(=O)Nc1ccc(C)cc1C 4338841 ZZVMXQCJNIZFIX-UHFFFAOYSA-N 335.360 1.021 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1Cl 6266922 CUTIPUBLYRNCIQ-SECBINFHSA-N 348.852 1.930 0 40 EDAB CCOC(=O)C1=C(C)NC(N[N+](=O)[O-])=N[C@H]1c1ccc(OC)cc1 6891653 KMZGQVCDQFLBSB-ZDUSSCGKSA-N 334.332 1.314 0 40 EDAB O=C(Nc1ccc(F)cc1)Nc1cnn(CCN2CCOCC2)c1 69600761 DLDAMQDYAJFXTL-UHFFFAOYSA-N 333.367 1.998 0 40 EDAB CN(C)C[C@@H]1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)C1 69658306 LIXSQNRKNHKYIG-AWEZNQCLSA-N 344.459 1.401 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)NCCc1cccs1 46106920 AFLWKGLGMRVZPA-UHFFFAOYSA-N 342.442 1.627 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(OC)c2)o1 32674990 LMQHSMWKXPFELF-UHFFFAOYSA-N 338.385 1.469 0 40 EDAB O=C(c1ccc(N2CCCC2)nn1)N1CCC[C@H](n2ccnc2)C1 69664635 FYGYMDPQLCNMOU-AWEZNQCLSA-N 326.404 1.751 0 40 EDAB CN1N=C(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)CCC1=O 46352843 ORPCKQNPXPYVSW-ZDUSSCGKSA-N 344.419 1.276 0 40 EDAB C/C=C/Cn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3C)n(C)c1=O 10356822 UVRQDMPHBPZADD-BQYQJAHWSA-N 344.419 1.325 0 40 EDAB CN1N=C(C(=O)NCCc2ccc(OC(F)F)cc2)CCC1=O 32836829 YFJKABYAVOZOED-UHFFFAOYSA-N 325.315 1.555 0 40 EDAB CCN(CC)CCCNS(=O)(=O)c1ccc(OC)c(OC)c1 8130032 RXEQCUSXNYHUAV-UHFFFAOYSA-N 330.450 1.714 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCC2)cc1C 56696587 LUABUUIMBABDQB-CYBMUJFWSA-N 340.445 1.683 0 40 EDAB COc1cc(C(=O)N[C@H]2CCN3CCCC[C@@H]23)cc2c1OCCO2 60568017 IFCVJRYSXHHWLL-KBPBESRZSA-N 332.400 1.823 0 40 EDAB Cc1cc(NC(=O)C2CCN(c3ncnc4c3cnn4C)CC2)no1 22097028 ZVDXVISVMQAIEK-UHFFFAOYSA-N 341.375 1.515 0 40 EDAB NC(=O)N1CCC(C(=O)NCc2ccc(Cn3cccn3)cc2)CC1 53195153 ACENTWQPLHEPFB-UHFFFAOYSA-N 341.415 1.338 0 40 EDAB Cc1c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)oc2c1C(=O)CCC2 42340388 LBNPIOHINCDQIP-OAHLLOKOSA-N 325.386 1.414 0 40 EDAB O=C(O)[C@@H](NCCN[C@@H](C(=O)O)c1ccccc1)c1ccccc1 23480217 JSKWOMPZZNQFJD-IYBDPMFKSA-N 328.368 1.817 0 40 EDAB CCOC(=O)c1[nH]c(C[n+]2cccc(O)c2)c(C(=O)OCC)c1C 24104691 YDPSIMUMODBWMZ-UHFFFAOYSA-O 333.364 1.718 0 40 EDAB CN(CCCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)S(C)(=O)=O 106167969 MWWGCQSIFMPJBL-KBPBESRZSA-N 344.864 1.841 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2Cl)[nH]n1 25099996 MKFMAFOQHGMCAJ-SECBINFHSA-N 339.804 1.647 0 40 EDAB C[C@@H]1CN([C@@H](C(N)=O)c2ccccc2)CCN1Cc1nccn1C 106660227 OTGDYLRIWVJCHC-RHSMWYFYSA-N 327.432 1.153 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(C2CC2)nn1-c1ccccc1 17636756 SZLOYISMSHMXIY-ZDUSSCGKSA-N 345.424 1.667 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CC[C@H]1NC(=O)NC1=O 25255506 SQBAKQMQBLMHOG-GFCCVEGCSA-N 343.339 1.190 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC(O)CC1 25399290 QZTFQOZPYSRVQD-UHFFFAOYSA-N 328.416 1.884 0 40 EDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 107150498 LQGPBRDOHOPJQQ-XDQVBPFNSA-N 333.398 1.860 0 40 EDAB CCOC(=O)c1c(C)n[nH]c1S(=O)(=O)N(C)[C@@H](C)CC(C)C 56036763 LOBNBOJGOUYWCL-JTQLQIEISA-N 331.438 1.950 0 40 EDAB Cc1noc(C2CCN(C(=O)CNC(=O)NC3CCCCC3)CC2)n1 56131807 UVQYLSDFUCKFOB-UHFFFAOYSA-N 349.435 1.716 0 40 EDAB COCCNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1cn(C)nc1C)C2 108531967 SYBDUMTWVVUHHZ-WMZOPIPTSA-N 334.464 1.483 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@@H](C)c3cccnc3)CC2)on1 43787678 RKJNBCALFDESNT-AWEZNQCLSA-N 329.404 1.966 0 40 EDAB O=C(CCOc1cccc2ccccc12)N1CCN(CCO)CC1 35585160 SCCLVIOOHVEMDO-UHFFFAOYSA-N 328.412 1.745 0 40 EDAB O=C(O)[C@H]1CS[C@H](Cc2ccccc2Br)C(=O)N1 62712281 OIAOEBVYBRZTER-NXEZZACHSA-N 330.203 1.676 0 40 EDAB COC(=O)[C@@](C)(NS(=O)(=O)C[C@@H]1CCCCO1)c1ccccc1 69738283 BINQNZSOOAEEBW-HOCLYGCPSA-N 341.429 1.563 0 40 EDAB c1cnc2c(c1)CN(C[C@H]1CCOC1)CCN2CCn1cccn1 107215003 QHQPOGNJVPMDRR-MRXNPFEDSA-N 327.432 1.637 0 40 EDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 44891559 NCROPNLGQVBCBF-LBPRGKRZSA-N 341.385 1.174 0 40 EDAB CC(C)OCc1ccccc1CNC(=O)N[C@H]1CCS(=O)(=O)C1 44946173 IDRIXCFREUQBJV-HNNXBMFYSA-N 340.445 1.598 0 40 EDAB CC(C)N(C)S(=O)(=O)NC[C@H](c1ccco1)N1CCCCC1 44937224 OPTSRDZOUQFFLF-CQSZACIVSA-N 329.466 1.981 0 40 EDAB COc1c(CN[C@@H]2CCN(Cc3ccccc3)C2=O)c(C)nn1C 58331259 RSLLXOVURVURAQ-MRXNPFEDSA-N 328.416 1.628 0 40 EDAB CCN(CC)CCn1cc(NC(=O)c2ccc(C(N)=O)cc2)cn1 58326982 CHZLNVDBWVVHBN-UHFFFAOYSA-N 329.404 1.576 0 40 EDAB CN(CCCc1cc(-c2ccc(F)cc2)no1)CCC(=O)NC(N)=O 58343123 VRZDJEKJDTVWFM-UHFFFAOYSA-N 348.378 1.930 0 40 EDAB O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H]1C=C[C@@]2(C2OCCO2)O1 409285992 VHPVVWPOALRPKC-IPJQOSJUSA-N 347.754 1.526 0 40 EDAB C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)n1cccn1 45054446 WHSJEBBILZGMMS-OAHLLOKOSA-N 340.427 1.723 0 40 EDAB CC(C)CN(C)C(=O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 58430469 JZSADIMHTZSIEJ-MRXNPFEDSA-N 338.473 1.573 0 40 EDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ncnc2nc[nH]c12 28249480 WCFGPNPLURNACL-UHFFFAOYSA-N 333.329 1.160 0 40 EDAB CCNc1nc(N2CCC(C(N)=O)CC2)nc2c1C(=O)CC(C)(C)C2 20673156 JYYMFTYKXGOISC-UHFFFAOYSA-N 345.447 1.765 0 40 EDAB CC(C)c1nnc(CN2CCN(c3ccc4nncn4n3)[C@@H](C)C2)o1 69459761 NFJNTXKXUGFDHE-LBPRGKRZSA-N 342.407 1.341 0 40 EDAB CC(=O)N(C)c1nc(CN2CCO[C@H](Cn3cc(C)cn3)C2)cs1 69420761 MVNCHINTSKUKEE-HNNXBMFYSA-N 349.460 1.532 0 40 EDAB COCCNC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 3404021 ZLUHERWQZSAXIH-UHFFFAOYSA-N 335.216 1.891 0 40 EDAB CCCSCC(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 48678394 KURCDUJDRGHWGH-UHFFFAOYSA-N 336.504 1.758 0 40 EDAB Cc1cc2ccccc2n1CC(=O)N[C@H](C)C(=O)N1CCOCC1 62885381 XBFSOWZVRSOWHW-CQSZACIVSA-N 329.400 1.313 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@@H](C)[C@H]2CCCO2)c1 69895824 FDEFIINDIMLOIC-SMDDNHRTSA-N 341.433 1.592 0 40 EDAB CC(C)c1nnc(NC(=O)N2CCC(CS(N)(=O)=O)CC2)s1 69568601 UAQVXKCLAPYPLB-UHFFFAOYSA-N 347.466 1.194 0 40 EDAB C[C@H](c1cccc(F)c1)N1CCN(c2ccc3nnnn3n2)CC1 92191468 PBGZUSDLAVTZEY-GFCCVEGCSA-N 327.367 1.542 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc2c(c1)OCO2 5269692 HPVAWIJVCBKDLF-UHFFFAOYSA-N 338.323 1.549 0 40 EDAB COCCOc1ccc(NC(=O)N[C@@H](CO)Cc2ccccc2)cn1 65530929 WFHRFJSYMQJDLP-MRXNPFEDSA-N 345.399 1.832 0 40 EDAB O=C(Cc1ccccc1)NCCC(=O)N1CCCN2CCC[C@H]2C1 65587436 YGHHYDWYEFGHOC-KRWDZBQOSA-N 329.444 1.432 0 40 EDAB Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2C)n(C)n1 14134974 HLCLDMMRIKHSCF-UHFFFAOYSA-N 332.389 1.848 0 40 EDAB CC(C)[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1cccs1 14188363 BINLOIDNZBMNFG-MVGZEHJDSA-N 347.440 1.672 0 40 EDAB CN1CCN(c2cnn(Cc3ccc(F)cc3)c(=O)c2Cl)CC1 6755222 MUUXBQHZLUAYSG-UHFFFAOYSA-N 336.798 1.836 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCCc2nccs2)c1C 66576852 RACQNLTUZKIJJX-UHFFFAOYSA-N 340.426 1.759 0 40 EDAB CC(C)[C@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)NC(N)=O 4800411 XEOKLBUIORTLCU-ZDUSSCGKSA-N 347.444 1.718 0 40 EDAB C[C@H]1C(=O)NCCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 14953089 SWKGZJAAGSVROJ-GXSJLCMTSA-N 343.349 1.101 0 40 EDAB COCCCn1c(SCC(=O)Nc2ccc(C)cc2)n[nH]c1=O 7348351 SOPNZUYHBCKKIF-UHFFFAOYSA-N 336.417 1.647 0 40 EDAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)n[nH]2)c(O)c1C 15974272 MPXMBRTTWHPIFJ-NSHDSACASA-N 349.412 1.316 0 40 EDAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(N)=O 7782952 BWFUVBOCAOTCFQ-SNVBAGLBSA-N 325.217 1.782 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(-n2nccn2)cc1 68544925 LTJXXHIQSJQGFB-NWDGAFQWSA-N 330.392 1.692 0 40 EDAB Cc1nc2ncnn2c(C)c1CC(=O)NCc1cn2ccccc2n1 8053961 RNDXDMDECUWVFI-UHFFFAOYSA-N 335.371 1.248 0 40 EDAB Cn1c(=O)n(CCC(=O)Nn2cnc3ccccc32)c2ccccc21 22318795 CMNZLYXIIDJTHP-UHFFFAOYSA-N 335.367 1.850 0 40 EDAB CC(C)N1CCOC[C@@]2(CC[C@@H](CNC(=O)c3cscn3)O2)C1 306123206 AHFQDTAWPLHKRF-XJKSGUPXSA-N 339.461 1.531 0 40 EDAB CC(C)c1ccc([S@](=O)CC(=O)N2CCC[C@H](C(N)=O)C2)cc1 89893438 WMNPDAZVRATHMN-PSLXWICFSA-N 336.457 1.642 0 40 EDAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(CO)oc2C)cc1 9365515 ZROVFCNMVPSMTP-UHFFFAOYSA-N 346.339 1.834 0 40 EDAB O=C1COc2c(cccc2C(=O)Nc2nnc(-c3ccccn3)[nH]2)N1 89883951 ORBPFLVUOOHSIA-UHFFFAOYSA-N 336.311 1.450 0 40 EDAB Cc1cc(F)cc2c1N(CC(=O)N1CCC[C@@H](C(N)=O)C1)CCC2 96414886 LYJMKKXKFRTFLJ-CQSZACIVSA-N 333.407 1.611 0 40 EDAB Cc1cc(C)cc(C(=O)NCCS(=O)(=O)N2CCSCC2)c1 71884351 LDLUDASNPOMBLK-UHFFFAOYSA-N 342.486 1.412 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CNC(C)=O)o1 71847461 CFEYVDZTXPPOHB-HNNXBMFYSA-N 342.351 1.660 0 40 EDAB CC(C)[C@H](Oc1ccccc1Br)C(=O)N(C)CC(N)=O 71821519 YOHKNJCZXJWPTM-ZDUSSCGKSA-N 343.221 1.796 0 40 EDAB CNc1cc2c(nn1)CCN(C(=O)[C@H]1Oc3ccccc3O[C@@H]1C)C2 71860140 JSVSCQFATFRHGZ-DIFFPNOSSA-N 340.383 1.632 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cccc3c2OCC(=O)N3)c1 71869997 SLVFEYCGPIVONO-CYBMUJFWSA-N 340.383 1.827 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H]1Cn1cccn1 71866296 UCXBGWHIWRCNSL-AWEZNQCLSA-N 347.440 1.982 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N[C@@H](C)c1cc(C)cc(C)c1 71885958 DWMBSXCRBROBLV-AWEZNQCLSA-N 341.477 1.993 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@@H]3Cc4cccc(F)c4O3)CCO2)n1 83829833 YOSGXRGXROJCFT-QWHCGFSZSA-N 346.362 1.410 0 40 EDAB CC(C)n1ccc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)n1 71903861 VOUIDEAIZYFBKU-UHFFFAOYSA-N 341.415 1.894 0 40 EDAB CCCNC(=O)COC(=O)CCNC(=O)N1CCc2ccccc2C1 71914265 IPYYBNDAAWNSHC-UHFFFAOYSA-N 347.415 1.214 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C12CCC2 89985884 VRYQZEVFGKDFKP-UONOGXRCSA-N 327.388 1.740 0 40 EDAB C[C@H](CC(N)=O)Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F 72296139 YZGWVDMNWPIYIA-ZCFIWIBFSA-N 328.287 1.795 0 40 EDAB Cc1ccc(-n2nnc(C(=O)NCCN3CCOC[C@H]3C)c2C)cc1 72273946 INLCBGJSTJMVHT-CQSZACIVSA-N 343.431 1.335 0 40 EDAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3ccc(N(C)C)nn3)C2)n1 72253267 MGCNWLFAMOKVKA-AWEZNQCLSA-N 328.420 1.833 0 40 EDAB COCCN1CCN(C[C@H](O)CN2CCc3ccccc3C2)C[C@@H]1C 72253919 UBBDTKINKFECHG-FXAWDEMLSA-N 347.503 1.058 0 40 EDAB O=C1CC[C@H](C(=O)NCCNc2cccc(Br)c2)N1 97048682 LLJRVLLPNFJWTJ-LLVKDONJSA-N 326.194 1.256 0 40 EDAB CCOc1cccc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)n1 97085491 HUXUHSXVRMVMQD-UHFFFAOYSA-N 348.366 1.819 0 40 EDAB Cc1nc([C@H]2CCCN2CCc2nc3ccccc3c(=O)[nH]2)no1 84280994 DXZSDPLFKADDGA-CQSZACIVSA-N 325.372 1.994 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Nc1cnn(Cc2ccc(Cl)cc2)c1 97140114 WGHDRRCJYOWZEX-JTQLQIEISA-N 335.795 1.841 0 40 EDAB CN1CCN(C2CCN(CC(=O)NCCC3=CCCCC3)CC2)C1=O 75604014 VPISFOHSXLELRU-UHFFFAOYSA-N 348.491 1.825 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NC1CCN(CC)CC1 97299751 OQKYCQXTORDUCR-NNSJBKGDSA-N 339.505 1.845 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)C[C@@H]3OCCc4sccc43)CCO2)n1 76045513 ZMSPLKOOYMRPGI-STQMWFEESA-N 348.428 1.779 0 40 EDAB O=C(CN(Cc1noc(C2CC2)n1)C[C@H]1CCCO1)N1CCCC1 76048778 HWWMNYLPNIQMEP-CQSZACIVSA-N 334.420 1.550 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)N1CCC[C@H]2CCC[C@H]21 76086073 OTEHRSPBXUCLKD-HUUCEWRRSA-N 343.431 1.860 0 40 EDAB Cc1nc(C2(NC(=O)NCc3nnc4ccccn34)CCCC2)no1 95397948 MHSNVUVKZWMSIB-UHFFFAOYSA-N 341.375 1.689 0 40 EDAB Cc1nc2cc(C(=O)N3C[C@H](C)[C@@H](N4CCOCC4)C3)ccc2[nH]1 95467430 FTLAOGYGKTWBEH-SJCJKPOMSA-N 328.416 1.664 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)Cc3c[nH]c4ccccc34)C2=O)cn1 98010380 OWVCKKYMSCCXGS-INIZCTEOSA-N 337.383 1.366 0 40 EDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3nnc(C(C)(C)C)o3)C2)C1=O 78899310 ZEUZQYWTTFPFSZ-DIFFPNOSSA-N 349.435 1.519 0 40 EDAB C[C@H](O)C1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 73817864 IOODTEJIWBZSID-KRWDZBQOSA-N 345.487 1.818 0 40 EDAB NC(=O)COc1ccccc1C(=O)Nc1cccc(-c2nc[nH]n2)c1 74143290 PRPSHGGUBOZKQS-UHFFFAOYSA-N 337.339 1.588 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2ccc3ccccc3n2)CC1 95980409 PUEKDECJAYSGED-UHFFFAOYSA-N 348.406 1.881 0 40 EDAB CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)Cc1cccs1 79309046 CPIZNQVOMDEHJD-GVXVVHGQSA-N 332.491 1.759 0 40 EDAB Cc1ccccc1[S@@](=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 89696833 KLYYMWWAXLXUCI-LFVRLGFBSA-N 336.457 1.620 0 40 EDAB Cc1cc(CNC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)on1 89608686 WRVDFFDXGSOLBN-HNNXBMFYSA-N 329.356 1.027 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(n3cncn3)CC2)cc1N(C)C 89644149 GCNYUBMXZRJAEU-UHFFFAOYSA-N 349.460 1.678 0 40 EDAB CCn1c([C@@H]2CCCN(Cc3cccc4nonc34)C2)n[nH]c1=O 67908531 MBEZRXRZWZECOI-GFCCVEGCSA-N 328.376 1.507 0 40 EDAB Cc1noc(Cl)c1CC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 77140242 MKTKWTPBBFZRGN-NXEZZACHSA-N 334.825 1.651 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cnn(C)c1 182979944 CXLNYUAJKXBAIH-HOTGVXAUSA-N 345.451 1.683 0 40 EDAB O=C(CN(Cc1cn2ccsc2n1)C[C@@H]1CCCO1)N1CCCC1 76048709 SJJJIESMNBNVBT-HNNXBMFYSA-N 348.472 1.999 0 40 EDAB CN(C)CCNC(=O)C(=O)Nc1ccc(Br)cc1F 73743034 QOPIULOKISZZDL-UHFFFAOYSA-N 332.173 1.205 0 40 EDAB Cn1cnn(CC(=O)Nc2cc(Br)c(F)cc2F)c1=O 188151967 FSDQGNUJWGZITB-UHFFFAOYSA-N 347.119 1.261 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2c[nH]nc2C)n1 72379650 RCJQQPWXYYFMOD-HNNXBMFYSA-N 328.376 1.122 0 40 EDAB Cc1cc(CCC(=O)NCc2ccnn2C)nc([C@H]2CCCNC2)n1 72366876 MBXFIQHDJHPNPV-AWEZNQCLSA-N 342.447 1.235 0 40 EDAB CCOCc1cccc(S(=O)(=O)NCCCN2CCOCC2)c1 71195470 ZXOOKVPZUAWIIB-UHFFFAOYSA-N 342.461 1.224 0 40 EDAB CCN1C[C@H](C(=O)N2CCN([C@H](C)c3cccnc3)CC2)CC1=O 79353271 IOWQVSZAPOOMPL-GDBMZVCRSA-N 330.432 1.155 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CN1CCN(c2ccccc2F)CC1 33428306 JKSOSUSWSZKCAG-UHFFFAOYSA-N 346.406 1.770 0 40 EDAB Cc1csc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 72364468 OVKKSYDVTSPJRR-UHFFFAOYSA-N 326.447 1.753 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)[C@H]3C[C@@H]3c3cccnc3)CC2)S1 73118862 FEDAZIDKLDNUBQ-YUELXQCFSA-N 330.457 1.821 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H]1COc2ccccc2C1=O 128845888 PKPQDYHTXHVIEY-BDJLRTHQSA-N 341.411 1.976 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2nncs2)CC1 670787930 OSNSDDTYWXYLFB-UHFFFAOYSA-N 344.418 1.375 0 40 EDAB CC(C)[C@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1 188402347 ILVKZXRLPTUTDF-JKSUJKDBSA-N 338.473 1.988 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCn2ncc3c2c(C)nn3C)cc1 72240923 FJRFMSGUZNDZAY-UHFFFAOYSA-N 347.444 1.755 0 40 EDAB CN1CC(=O)N(C(=O)CSc2ccccn2)c2ccccc2C1=O 40385995 SMXJOTAXCBXPKM-UHFFFAOYSA-N 341.392 1.819 0 40 EDAB O=S(=O)(c1c[nH]c2ncccc12)N1CCN(Cc2ccc[nH]2)CC1 190600627 RKNGHXAPXMIUMW-UHFFFAOYSA-N 345.428 1.398 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCN[C@H](c2cccc(F)c2)C1 328665020 YYKKAAVFMMZTOW-WFASDCNBSA-N 340.420 1.123 0 40 EDAB CS(=O)(=O)N[C@H](CC(=O)N1CCOCC1)c1ccc(Cl)cc1 225952101 CDZHDKDRAFKVEM-CYBMUJFWSA-N 346.836 1.179 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCc2nccs2)n[nH]1 95476646 QIYOHQZBLLYVNA-UHFFFAOYSA-N 330.417 1.856 0 40 EDAB O=C(c1ccco1)N1CCCn2c(nc(CN3CCCC3)cc2=O)C1 96059583 FAZBXTHYCMZVLM-UHFFFAOYSA-N 342.399 1.478 0 40 EDAB COc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[C@H](C(=O)O)C1 97063808 OJKGDWXBGAEQJW-WCBMZHEXSA-N 333.793 1.880 0 40 EDAB Cc1ccc(N[C@H]2CO[C@]3(CCN(C(=O)C4CC=CC4)C3)C2)nn1 96219574 GCCOHINAXLJXFQ-CRAIPNDOSA-N 328.416 1.923 0 40 EDAB Cc1ccc(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)cn1 96067089 NXZHKAVDCWTYNS-CQSZACIVSA-N 337.387 1.150 0 40 EDAB O=C1NCCN(C(=O)CCn2cccn2)[C@H]1c1ccccc1Cl 97372567 WPZZBOJRYVDHRW-HNNXBMFYSA-N 332.791 1.626 0 40 EDAB Cn1cccc1CN1CCC2(CC1)CN(c1ncccn1)CCO2 96159016 PVATXRLRBAJRMD-UHFFFAOYSA-N 327.432 1.687 0 40 EDAB c1ccc(CN2CCOC[C@]3(CCCN(c4ncccn4)C3)C2)nc1 96229300 YVAOOHIXGZPCFQ-LJQANCHMSA-N 339.443 1.991 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(CC2CCCC2)Cc2nnn(C)c21 96198572 LUSZEPRCRSZEEF-AWEZNQCLSA-N 335.452 1.009 0 40 EDAB Cc1cn2nc(N[C@@H]3CCN(C(=O)C[C@@H]4CCCCO4)C3)ccc2n1 578921318 BNDUPZKNNVNTHW-CABCVRRESA-N 343.431 2.010 0 40 EDAB CN(C)C(=O)C[C@@H]1CO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]12 96215624 JCFYIJQNDHYODW-CKEIUWERSA-N 332.400 1.340 0 40 EDAB Cn1cc(CN2CC[C@H]3[C@@H]2CCC(=O)N3CC2CCOCC2)cn1 96186326 IRELVSMHFISOIU-IRXDYDNUSA-N 332.448 1.412 0 40 EDAB COC(=O)[C@@H](NC(=O)Cn1cnc2c1CCCC2)c1ccccc1F 97232791 NGNRILVSYROEEI-KRWDZBQOSA-N 345.374 1.932 0 40 EDAB CN(C)CCN1CCOCC2(CCN(C(=O)C3CC=CC3)CC2)C1 96239854 LENFMIRDJHKXEQ-UHFFFAOYSA-N 335.492 1.455 0 40 EDAB CS(=O)(=O)CCNC(=O)N1CC=C(c2ccccc2F)CC1 97094798 FSTHEQPKJGPOAE-UHFFFAOYSA-N 326.393 1.669 0 40 EDAB O=C(NCC1CCOCC1)[C@@H]1CN(Cc2ccoc2)Cc2cncn21 247500287 PRAUAPBAZHGPKA-KRWDZBQOSA-N 344.415 1.576 0 40 EDAB O=C(CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O)NCc1ccccc1F 583614725 RWKVNPDTVWAMQQ-USXIJHARSA-N 336.407 1.304 0 40 EDAB COC[C@@H](C)CNC(=O)N1CCN(c2ccc(F)c(OC)c2)CC1 252501066 UBZDIPCAUHXOIN-ZDUSSCGKSA-N 339.411 1.948 0 40 EDAB CC(=O)N[C@@H]1CCN(C(=O)c2c(-c3cccs3)noc2[C@H](C)O)C1 253400141 KTVUPOVKBCSUDM-GXSJLCMTSA-N 349.412 1.807 0 40 EDAB biogenic,in-vitro CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)c2cccs2)C1 257236643 HDBFBLDVNKKHPN-SECBINFHSA-N 325.415 1.504 0 40 EDAB O=C([C@H]1CCOC1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 252506636 WBVWNLQODSRXKN-DZGCQCFKSA-N 328.372 1.204 0 40 EDAB Cc1cn(C)c([C@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1 257261240 LGHUOOAIQAZXFS-LBPRGKRZSA-N 337.383 1.595 0 40 EDAB COCC(=O)N1CCC[C@H](c2cc(-c3ccnn3C)nc(C)n2)C1 257229076 FWPKCSQZFSSSSJ-ZDUSSCGKSA-N 329.404 1.538 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)c2c(C)oc3c2CCCC3)CC[C@@H]1O 257342757 ZQAQOLKJIDDWKY-GJZGRUSLSA-N 334.416 1.568 0 40 EDAB Cc1ccc(Nc2nccc(C3CCN(CC(N)=O)CC3)n2)nc1 257250578 JNBZMVDKQKYXOZ-UHFFFAOYSA-N 326.404 1.588 0 40 EDAB COc1cc(C=O)ccc1OCCC(=O)N[C@@H](CN(C)C)C(C)C 584908730 UMOVHXCGKKZLCU-HNNXBMFYSA-N 336.432 1.979 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCO[C@H](c3nccnc3N)C2)s1 257199817 AAXKYBFMFHETPM-NSHDSACASA-N 333.417 1.275 0 40 EDAB CCOC(=O)c1nc(=N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc[nH]1 585132782 VHCYAQPOAIDTRQ-LOWVWBTDSA-N 348.403 1.495 0 40 EDAB CC1(C)CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)[C@@H]1[C@@H]1CCCO1 585122110 NYGCIAIJDAGRES-QWHCGFSZSA-N 328.376 1.291 0 40 EDAB O=C(O)CN(C(=O)c1ccnc(-c2ccccc2)n1)C1CCOCC1 1602052129 LYGFZJBQCKKAAI-UHFFFAOYSA-N 341.367 1.849 0 40 EDAB C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NCCOCCN(C)C 1615587686 IYJGQKJLSCHHGC-CQSZACIVSA-N 329.485 1.800 0 40 EDAB CCOc1ccc([C@@H](C)NC(=O)C[C@@H](O)CN(C)C)cc1OCC 1615585763 DQOZSYFKMKBQKA-UKRRQHHQSA-N 338.448 1.974 0 40 EDAB CC(C)(C)c1csc(CCNS(=O)(=O)[C@H]2CCC[C@H]2O)n1 1615623234 HVDAKULOVNFFSV-MNOVXSKESA-N 332.491 1.816 0 40 EDAB O=C(NCCn1nc2c(cc1=O)CCCC2)c1ccc(F)cc1F 575609653 ZBVAJVNZOAVGRO-UHFFFAOYSA-N 333.338 1.830 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)c2ncccc2O)C1 585275681 DJIBGXNMJCZASP-SFHVURJKSA-N 328.368 1.752 0 40 EDAB COCc1nc(C)cc(NCCc2ccccc2N2CCOCC2)n1 585142204 RLAIETOOZJUMTR-UHFFFAOYSA-N 342.443 2.423 0 40 EDAB C[C@@H]1C[C@@H]1COC(=O)c1sccc1S(=O)(=O)N1CCOCC1 67900685 BDWFSNLZQZRXBF-GHMZBOCLSA-N 345.442 1.582 0 40 EDAB CCOCC(=O)N(c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 67994520 DGRSTPJYEDCVRF-ZDUSSCGKSA-N 327.402 1.252 0 40 EDAB CCn1ccnc1CN1CCN(Cc2cccc(C(N)=O)c2)CC1 69418036 RCGYWDPGCFMHAB-UHFFFAOYSA-N 327.432 1.320 0 40 EDAB CC(C)[C@H](C(=O)N[C@@H](C)c1nnc2ccccn12)N1CCCC1=O 69582210 OZPOBSXSFWROTH-SWLSCSKDSA-N 329.404 1.554 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cccc3c1O[C@@H](C)C(=O)N3)C2 69560337 IYALXOCIJOAMPI-JTQLQIEISA-N 341.371 1.216 0 40 EDAB Cc1oc(C(=O)N2CC[C@H](Cc3ccccc3)C2)cc1S(N)(=O)=O 88280077 MGWRDHGHZOZNHY-CQSZACIVSA-N 348.424 1.940 0 40 EDAB CC(C)(C)c1nnc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)s1 301701315 SREVVMYOVLSMJV-GFCCVEGCSA-N 338.477 1.911 0 40 EDAB CCc1ccccc1S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 576563791 VGIVIBYLJCGRHJ-HNNXBMFYSA-N 349.408 1.929 0 40 EDAB CSC[C@@](C)(O)CNc1ncccc1S(=O)(=O)NCC1CC1 1615045795 DLZZYMWOODHQNC-AWEZNQCLSA-N 345.490 1.296 0 40 EDAB Cn1cnc(C(=O)N2CC(Cc3ccc(Br)cc3)C2)n1 1615038670 AKFHAPYTOXSQEM-UHFFFAOYSA-N 335.205 1.892 0 40 EDAB CO[C@@H]1COC[C@@H]1S(=O)(=O)NCCc1nc(C(C)(C)C)cs1 1615045735 VCEAZPYVIHLRDD-MNOVXSKESA-N 348.490 1.316 0 40 EDAB COCCn1c(-c2ccnn2C)nnc1N1CC[C@]2(CCCOC2)C1 1615555692 WZCNBGSBSCGWHH-QGZVFWFLSA-N 346.435 1.332 0 40 EDAB COc1cc(-c2nnc(SCC(=O)O)n2C)cc(OC)c1OC 5007498 UQBJLZARVDYTFV-UHFFFAOYSA-N 339.373 1.685 0 40 EDAB Nc1nonc1-c1noc(N2CCN(c3ccc(F)cc3)CC2)n1 12374551 MCDAMAZKSIAJQC-UHFFFAOYSA-N 331.311 1.168 0 40 EDAB CCOCCCNC(=S)N1CCC(NC(=O)c2ccco2)CC1 13555738 UPHZSRCBOBIMFR-UHFFFAOYSA-N 339.461 1.775 0 40 EDAB O=C(Nc1nnc2n1CCCC2)c1cccnc1N1CCOCC1 162603941 PZBKBUAMABQRTL-UHFFFAOYSA-N 328.376 1.098 0 40 EDAB CCc1ccccc1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 7038061 UROPEZUVQGOVEX-UHFFFAOYSA-N 331.397 1.685 0 40 EDAB COc1ccc(S(=O)(=O)N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)cc1 1888879420 QXYZQMJYLVTJIB-KBPBESRZSA-N 336.457 1.800 0 40 EDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccccc5)C[C@H]4C3)nn12 1888888416 VVUVSFNKNBPLCO-IYBDPMFKSA-N 348.410 1.641 0 40 EDAB Cn1ccnc1-c1cnc(C[C@H]2CCN(C(=O)c3ccccn3)C2)cn1 2037697428 OFVFWWKQFKOGKQ-CQSZACIVSA-N 348.410 1.977 0 40 EDAB Cc1c(C(=O)N(C)C[C@@H]2COC[C@@H](O)[C@H]2O)[nH]c2ccc(F)cc12 2037961722 KMUZITHTRLUNIQ-HQQWDMGQSA-N 336.363 1.056 0 40 EDAB Cc1cc(N2CC[C@H](COc3ccc4nccn4n3)C2)n2nccc2n1 2087050545 IXXYYIRJVJUTAH-AWEZNQCLSA-N 349.398 1.986 0 40 EDAB Cc1noc(C)c1CN1CCC[C@@](C(=O)N(C)C)(n2cccn2)C1 2055772460 LCWVDDWWIAWDMC-QGZVFWFLSA-N 331.420 1.567 0 40 EDAB Cc1ccc(NC(=O)Cn2nc3cnc4ccccc4n3c2=O)cc1 21774670 PUPGOZKPQRJODF-UHFFFAOYSA-N 333.351 1.991 0 40 EDAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O 100105188 CNHJZJVZEVDQQG-MLGOLLRUSA-N 336.413 1.650 0 40 EDAB COC[C@](C)(CNS(=O)(=O)c1cc(Cl)ccc1OC)OC 575613604 UWCQHHDBLLEWSR-ZDUSSCGKSA-N 337.825 1.678 0 40 EDAB Oc1ccc(N2CCN(c3ncc(Br)cn3)CC2)nn1 377725531 VVGQWWWCUFHTFI-UHFFFAOYSA-N 337.181 1.061 0 40 EDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N[C@H](C)c1ccccc1 12390420 PHHQXWPMMNAFAY-LLVKDONJSA-N 325.372 1.536 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)c1ccc(-c2nnn[nH]2)cc1 24381433 ZUCLBZLHCHYOPG-UHFFFAOYSA-N 337.339 1.568 0 40 EDAB C[C@@H](OCC1CC1)C(=O)NCc1cccc(OCC(=O)NC2CC2)c1 50384271 AAJJASNKJQPTFD-CYBMUJFWSA-N 346.427 1.775 0 40 EDAB COCC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 20376172 USEXSQBWOKKBHV-UHFFFAOYSA-N 326.400 1.993 0 40 EDAB CN1N=C(C(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)CCC1=O 40534212 ZLKPZLPBVLMIPX-HNNXBMFYSA-N 345.399 1.469 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccccc2OC(C)=O)S1 201311 CZUHJMYQXZSCIW-HNNXBMFYSA-N 335.385 1.787 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)Cn2c(C)csc2=O)no1 8172692 KKAONYRLJUVNGU-SECBINFHSA-N 325.346 1.085 0 40 EDAB O=C1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CN1CC1CC1 28937766 KDGYXSSFKHZSBO-CYBMUJFWSA-N 334.445 1.050 0 40 EDAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)C1=NO[C@H](c2ccccc2)C1 69654777 QPWJFSFWAVCAOK-GJZGRUSLSA-N 347.440 1.884 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(Cl)s2)CC1 69616599 JJLGILDXHDDHAH-NSHDSACASA-N 341.864 1.956 0 40 EDAB COc1ccc(-c2nnc(SCC(=O)N3CCCCC3)n2N)cc1 1789736 BLMKCFSFBITHRI-UHFFFAOYSA-N 347.444 1.772 0 40 EDAB Cc1nn(CCC(=O)NCc2cnn(C)c2C)cc1Br 2805155 TXIDLTDKBITJCB-UHFFFAOYSA-N 340.225 1.702 0 40 EDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1cc(-c2cccs2)on1 46156043 QIMSPIIRTQOQPV-SECBINFHSA-N 340.426 1.985 0 40 EDAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)C2=NNC(=O)CC2)C1 101943132 XOCYWIMXMHNNHU-APPDUMDISA-N 335.404 1.223 0 40 EDAB C[C@@H](NC(=O)[C@H](O)CN1CCCCC1)[C@@H]1COc2ccccc2O1 4811904 LQMCJXNMRPKICH-CPUCHLNUSA-N 334.416 1.178 0 40 EDAB CC(C)n1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2 4883329 LJZQYEAINFCNNT-UHFFFAOYSA-N 335.389 1.756 0 40 EDAB Fc1ccc(OCc2noc(CN[C@@H]3CCc4ncnn4C3)n2)cc1 69600224 ZLKKEHZTTDRNEV-GFCCVEGCSA-N 344.350 1.484 0 40 EDAB COc1cccc(NC(=O)CN(C)C(=O)CN2CCCC[C@@H]2C)c1 32753290 RZDPRUVSZDBFPI-AWEZNQCLSA-N 333.432 1.967 0 40 EDAB NCCN1CCO[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 8559505 VGXIVPDAJYLFFI-GFCCVEGCSA-N 345.321 1.220 0 40 EDAB Clc1ccc(CN2CCCN(c3ccc4nnnn4n3)CC2)cc1 8707434 HWDOPYWSABTROA-UHFFFAOYSA-N 343.822 1.885 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCn2c(nnc2C(C)C)C1 69626794 VPCQFMQHOIBCQH-LLVKDONJSA-N 330.436 1.898 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@H](NS(=O)(=O)N(C)C)C1 102415503 KZJLAZBAHMVBLW-NSHDSACASA-N 333.841 1.323 0 40 EDAB Cc1cccc(Cn2cc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cn2)c1 102603233 GPJXSXZTXRZBOT-VQHPVUNQSA-N 337.379 1.907 0 40 EDAB COc1ccc([C@@H]2CCCCCN2C(=O)CN(C)CC(N)=O)cc1 52831758 WQWWSINRHVSJFG-INIZCTEOSA-N 333.432 1.556 0 40 EDAB C[C@@H](NC(=O)CN(C)CC(N)=O)c1ccc(OC(F)(F)F)cc1 52831917 JKAUXGDHWHWEJC-SECBINFHSA-N 333.310 1.180 0 40 EDAB COC(=O)c1ccc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)o1 21924825 MMZMRQOXBMBADG-UHFFFAOYSA-N 344.245 1.394 0 40 EDAB CCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21 532903 FRUPUHPNRLDSNX-INIZCTEOSA-N 346.412 1.517 0 40 EDAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cc2cccc(F)c2)C1 57319533 SHANIPLOYGNPFF-ZFWWWQNUSA-N 336.407 1.758 0 40 EDAB Cc1ccccc1CCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 103294048 RJAOJOGEFWRJNT-HOTGVXAUSA-N 328.412 1.829 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccccc1OCC(N)=O)c1ccco1 41794714 GBNKIXHSFYTVEE-CYBMUJFWSA-N 331.372 1.176 0 40 EDAB Cc1cccc(CN2CCC3(CC(NC(=O)c4ccnnc4)C3)C2)n1 108526555 LTNKHLYLEDLXLG-UHFFFAOYSA-N 337.427 1.965 0 40 EDAB CCOC(=O)C1=C(CN2CCOc3cc(F)ccc32)NC(=O)NC1 70036870 PGQOIXLXKNPPKS-UHFFFAOYSA-N 335.335 1.155 0 40 EDAB CCOC(=O)[C@@]1(C(=O)CSc2nc3ccccc3[nH]2)CCC(=O)O1 12322576 AIPWGRFDJKTNAJ-INIZCTEOSA-N 348.380 1.863 0 40 EDAB CCOC(=O)c1csc(NC(=O)[C@H]2CCCN(C(=O)CC)C2)n1 47196962 QEORKDIIGWFSBQ-JTQLQIEISA-N 339.417 1.907 0 40 EDAB CC[C@@H]1COCCN1S(=O)(=O)c1c(Cl)nc2ccccn12 37555909 JPNARKANRBUFEL-SNVBAGLBSA-N 329.809 1.787 0 40 EDAB O=C(NCCNC(=O)C1CC1)c1nn(-c2ccccc2)c2c1CCC2 54319319 GEXRNWWUPGRDSC-UHFFFAOYSA-N 338.411 1.617 0 40 EDAB O=C(COc1ccccc1)NCC(=O)N[C@@H]1CCOc2ccccc21 23647415 NPWHSNIEWUJESZ-MRXNPFEDSA-N 340.379 1.822 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 42969547 CTGKWIVAYMOFJA-LBPRGKRZSA-N 345.321 1.650 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc(=O)[nH]1 55243900 XSVLMGBKGUCCOA-UHFFFAOYSA-N 325.368 1.282 0 40 EDAB c1ccc(CN2CCOC[C@]3(C[C@@H](CN4CCCC4)CO3)C2)nc1 107738818 KWMKAVWLAFKRHZ-HKUYNNGSSA-N 331.460 1.785 0 40 EDAB Cc1csc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 43532901 ZJFUUSCHGOUTND-OAHLLOKOSA-N 345.424 1.940 0 40 EDAB CCNC(=O)C1(NS(=O)(=O)c2ccccc2OC)CCCCC1 56095024 AFOGGKVFRYZPCN-UHFFFAOYSA-N 340.445 1.813 0 40 EDAB Cc1c(C)n(C[C@H](O)CN2C(=O)CNC2=O)c2c(Cl)cccc12 28297097 QUSCLLGGKKPELH-NSHDSACASA-N 335.791 1.824 0 40 EDAB CCOC(=O)C1=C(CN(C)Cc2ccccc2OC)NC(=O)NC1 58170517 FTRUSIZWRCPHQL-UHFFFAOYSA-N 333.388 1.257 0 40 EDAB CCCc1noc(CCCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)n1 58282293 OYRQJMRHRGSOCT-AWEZNQCLSA-N 344.415 1.558 0 40 EDAB Cc1cc([C@H](C)NC(=O)Cn2cnc3c(cnn3C)c2=O)c(C)o1 58291946 CVYCKCQMSUGBJN-JTQLQIEISA-N 329.360 1.217 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 3362443 MEAYJAKCDHZCBW-SFHVURJKSA-N 329.400 1.775 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)Cc1nnc2n1CCC2 44934929 RDFYLNNWHLGJPD-UHFFFAOYSA-N 344.463 1.895 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@H](C)[C@@H]2CCCO2)nn1-c1ccccc1F 27875511 YCQSBZOMWOLLDQ-WBMJQRKESA-N 345.374 1.977 0 40 EDAB CC(=O)NCC1CCN(C[C@H](O)CN(C)Cc2ccccc2)CC1 58364930 QJFHTYZTONVQQP-LJQANCHMSA-N 333.476 1.327 0 40 EDAB Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c(O)c1 58354000 DPUQOKRQROUYJF-UHFFFAOYSA-N 345.443 1.471 0 40 EDAB O=C(CS(=O)(=O)C[C@H]1CCCO1)N[C@H]1CCCc2ccccc21 45359670 JICRCWWQRCDXBS-ZBFHGGJFSA-N 337.441 1.774 0 40 EDAB COc1ccc(CN2CCN(C(=O)NCc3cc[nH]n3)CC2)cc1 48263555 VGVCSJUEPHBXQZ-UHFFFAOYSA-N 329.404 1.446 0 40 EDAB C[C@H](Nc1ccc(F)c(Cl)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 12813960 JHYWIZISCGRVMA-ONGXEEELSA-N 348.827 1.925 0 40 EDAB Nn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1C1CC1 3437393 HULHTVHSWXITJN-UHFFFAOYSA-N 325.344 1.878 0 40 EDAB COc1ccccc1CNC(=O)COc1ccc(-n2cnnn2)cc1 3606375 NFZQCWCEIZSHAO-UHFFFAOYSA-N 339.355 1.366 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1csc2ccccc12 25026550 NDBHTUMJTGVRLC-LBPRGKRZSA-N 332.381 1.405 0 40 EDAB CN(CC(=O)NC1CC1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 69489454 SRBVSKYPYQVVTC-LJQANCHMSA-N 345.487 1.642 0 40 EDAB O=C1NC2(CCS(=O)(=O)CC2)C(=O)N1Cc1ccccc1Cl 69440553 GIPQAHYCKVNENW-UHFFFAOYSA-N 342.804 1.339 0 40 EDAB CC(C)(CNC(=O)Cc1nc2ncccn2n1)c1ccccc1F 69485052 VPPRZMQZSLXWCX-UHFFFAOYSA-N 327.363 1.900 0 40 EDAB CN(C)Cc1cccc(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)c1 69453295 HYEHWLSJIDWSSC-UHFFFAOYSA-N 347.440 1.577 0 40 EDAB O=C1CCC(C(=O)Nc2ccc(I)cc2)=NN1 6048632 CGYRKVMIGWFECJ-UHFFFAOYSA-N 343.124 1.496 0 40 EDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccccc1O 5170951 WWOMPTDMSHWJHV-UHFFFAOYSA-N 339.351 1.666 0 40 EDAB CCN1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1 69531322 ILYCQBOCNLRUOO-CQSZACIVSA-N 325.478 1.242 0 40 EDAB NC(=O)CN1CCCN(C(=O)/C=C/c2cccc3cccnc23)CC1 69561655 RPGRHFCHOUDSCB-BQYQJAHWSA-N 338.411 1.268 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(C[C@@H](C)O)CC3)c12 69876167 HRKHTOFVSGSJGW-LLVKDONJSA-N 344.415 1.547 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)NC1(C(=O)O)CCCCC1 69926944 CCZUQODGNKPRRG-UHFFFAOYSA-N 329.356 1.300 0 40 EDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(OC)nc1 14022527 DGXGIDQVVNWGOF-UHFFFAOYSA-N 349.412 1.069 0 40 EDAB COc1ccc(C)cc1-n1ccc(C(=O)NCCn2cccn2)n1 65574938 MJPLGYPRNNPQKT-UHFFFAOYSA-N 325.372 1.816 0 40 EDAB CC(C)OC(=O)CNC(=O)c1ccc(CSc2nccn2C)o1 65575325 AZCDZCLKYWSDEU-UHFFFAOYSA-N 337.401 1.987 0 40 EDAB Cc1ccccc1-c1cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)[nH]n1 65565191 HENHVDAMHHAOJO-CYBMUJFWSA-N 342.399 1.362 0 40 EDAB CCCn1nc(C(=O)Nc2cccc(C(=O)NCC)c2)ccc1=O 14201947 PVVSCDHDAYUOCF-UHFFFAOYSA-N 328.372 1.655 0 40 EDAB COC(=O)[C@H](NC(=O)CCc1nc2ccccc2oc1=O)C(C)C 14246106 RLZSDASQNRWSKG-OAHLLOKOSA-N 332.356 1.434 0 40 EDAB CCCS(=O)(=O)CCc1nn2c(=O)c(CC)c(C)nc2s1 4603019 IYFGNSONWVGMSW-UHFFFAOYSA-N 329.447 1.389 0 40 EDAB CN(C)C(=O)Cn1cc(NC(=O)[C@@H]2COc3ccccc3C2)cn1 66384498 ZVHGDOCFWKLQCT-ZDUSSCGKSA-N 328.372 1.161 0 40 EDAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 5792006 DENNKRSWKANCON-HNNXBMFYSA-N 325.315 1.256 0 40 EDAB COc1ccc(CCNC[C@@H](O)COC[C@H]2CCCO2)cc1OC 6937425 RYALUNFXALENPN-HZPDHXFCSA-N 339.432 1.392 0 40 EDAB CCCn1nnnc1COc1cc(C(=O)OC)cc(C(=O)OC)c1 7771230 VMNXQAHZUXDAHW-UHFFFAOYSA-N 334.332 1.235 0 40 EDAB CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O 16463019 JZEZNZSHNKEZHA-HNNXBMFYSA-N 325.315 1.258 0 40 EDAB O=C(NCc1nnc2n1CCC2)NC[C@H](O)c1ccc(F)c(F)c1 89768299 CFIXBYYQYNAHIY-LBPRGKRZSA-N 337.330 1.035 0 40 EDAB O=C(CN1CSCC1=O)NCc1ccccc1Cn1cccn1 9479036 USRCDCUGIREZNC-UHFFFAOYSA-N 330.413 1.081 0 40 EDAB COc1cc(CNC(=O)NCCc2c(C)nn(C)c2C)ccc1O 84012178 UGBCQCNYBCLCAO-UHFFFAOYSA-N 332.404 1.793 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCOC1)N1CCN(c2ccc(F)cc2)CC1 71897934 QNCSTPNPJXTVKI-HUUCEWRRSA-N 335.423 1.489 0 40 EDAB CNC(=O)NC(=O)CCN1CCC(Nc2cccc(OC)c2)CC1 71893670 OZUWUGCDGKONNQ-UHFFFAOYSA-N 334.420 1.417 0 40 EDAB CC(C)C[C@@]1(C)NC(=O)N(CCc2nc3ccccc3c(=O)[nH]2)C1=O 71824527 DEIMNXDWLASKLF-GOSISDBHSA-N 342.399 1.822 0 40 EDAB COc1ccc2c(C)c(CCC(=O)N3CCN(C)CC3)c(=O)oc2c1 20646455 NHKWSAQEMDEHNL-UHFFFAOYSA-N 344.411 1.817 0 40 EDAB Cc1cc(NC(=O)/C=C/c2cc3cnn(C(C)C)c3[nH]c2=O)n(C)n1 84101827 LFQHPXRGRPLETD-AATRIKPKSA-N 340.387 1.999 0 40 EDAB O=C(COCC1CC1)NC[C@H]1CCC[C@H]1NC(=O)COCC1CC1 72297996 QYOYZSIPXXVCJA-HZPDHXFCSA-N 338.448 1.241 0 40 EDAB NC(=O)[C@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 97082829 IXJJMEUFDPENBW-VIFPVBQESA-N 340.214 1.881 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NCCO)CCCC2)c1 97044514 LBIMOXQQGPEVER-UHFFFAOYSA-N 325.430 1.498 0 40 EDAB COc1nc(NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)n[nH]1 97048540 JATNVGKRWUMZNM-LURJTMIESA-N 346.313 1.931 0 40 EDAB CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1nc(N)nc2[nH]cnc12 97115364 DDEQXIZELSHJNY-AWEZNQCLSA-N 337.431 1.893 0 40 EDAB Cn1cc(N2CC[C@H](Nc3cnn(Cc4ccccc4)c3)C2=O)cn1 97139973 HURFFQXCXABUOM-KRWDZBQOSA-N 336.399 1.882 0 40 EDAB CCN(CC)C(=O)CCCNC(=O)CSc1nnc(S)s1 72310130 ZZPXSLNVTQSNRJ-UHFFFAOYSA-N 348.519 1.684 0 40 EDAB Cc1ccsc1CNC(=O)c1ccc(S(N)(=O)=O)c(F)c1 76094915 QKBKOJDFPQQLCQ-UHFFFAOYSA-N 328.390 1.773 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N3CC[C@](O)(C(F)(F)F)C3)ccc21 77990996 ZCLDMZJDHZUKTA-OAHLLOKOSA-N 342.317 1.735 0 40 EDAB OC1CN(Cc2cccc(OC[C@H](O)CN3CCCCCC3)c2)C1 95496980 COAFKRBMQVBXQY-GOSISDBHSA-N 334.460 1.479 0 40 EDAB Cc1nc(S(=O)(=O)NC[C@H](O)c2ccccc2Cl)cn1C 95433159 DIEJGYMYTKKREY-LBPRGKRZSA-N 329.809 1.394 0 40 EDAB FC(F)(F)c1ccnc(N2CCN(c3ccc4nccn4n3)CC2)n1 95431648 JKBWIYTYLYHOGR-UHFFFAOYSA-N 349.320 1.865 0 40 EDAB O=C(Cc1ccc(F)c(Br)c1)N1CCN(CCO)CC1 78623940 YWOIFMYKCNQECB-UHFFFAOYSA-N 345.212 1.267 0 40 EDAB NC(=O)[C@@H]1CCC[C@@H]1NC(=O)COc1cccc(C(F)(F)F)c1 78879307 PTPGQWIHIVURSC-NEPJUHHUSA-N 330.306 1.854 0 40 EDAB O=C(Cn1c(-c2ncccn2)noc1=O)Nc1ccccc1Cl 95957858 GTGSIRURPWFRCC-UHFFFAOYSA-N 331.719 1.585 0 40 EDAB CN1CCN([C@H](CNC(=O)NCc2cc[nH]n2)c2cccs2)CC1 89382598 WMZSHZWCNXOSJF-CQSZACIVSA-N 348.476 1.259 0 40 EDAB CN(CC(=O)N1CCCCC[C@H]1Cc1cccs1)S(C)(=O)=O 89335419 FDYSIGQRLOOEKN-ZDUSSCGKSA-N 344.502 1.953 0 40 EDAB O=C1CCCN1C1CCN(C[C@@H](O)COCc2ccccc2)CC1 79350311 FQYDENIHFHAWFO-GOSISDBHSA-N 332.444 1.651 0 40 EDAB COc1ncccc1C(=O)N1CCOC[C@@]2(CC[C@@H](CN(C)C)O2)C1 306141012 VIZPACBTCWMLGO-KBXCAEBGSA-N 349.431 1.042 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 408503555 SPODZEKWAZIDTK-IJLUTSLNSA-N 339.461 1.786 0 40 EDAB CCc1cccc(NC(=O)CN2C[C@H](OC)C[C@H]2c2nncn2C)c1 551924716 KSHHQYKALNAQAQ-CVEARBPZSA-N 343.431 1.778 0 40 EDAB COc1ccc(C(=O)N[C@H]2C(=O)NN[C@@H]2c2ccc(OC)cc2)cc1 409057239 JFDNXFYPCQXACF-HZPDHXFCSA-N 341.367 1.178 0 40 EDAB O=C1[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccccc1Cl 409281159 CPSRRXCPVVMVKA-ZOPJHEKZSA-N 347.754 1.526 0 40 EDAB COc1c(NC(=O)/C=C/c2ccc(C(N)=O)o2)cccc1C(N)=O 1520497730 NFQWSPMRUKOMOB-SOFGYWHQSA-N 329.312 1.138 0 40 EDAB COc1ccc2nc(S(=O)(=O)Cc3[nH]cc(C)c(=O)c3C)[nH]c2c1 77300769 HWHFLYQGCHSJID-UHFFFAOYSA-N 347.396 1.851 0 40 EDAB in-vitro O[C@@H](CN1CCN(c2ncccn2)CC1)c1ccc2c(c1)CCO2 36741392 MSOGTMNZQYUNGK-INIZCTEOSA-N 326.400 1.267 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCO3)oc1C 38489284 YRXXYRTUTDLAEY-UHFFFAOYSA-N 338.341 1.477 0 40 EDAB Cc1nn(C)cc1CN1CC[C@@H](C(=O)NCCc2ccccc2)C1 72392093 CSNQPUOBMJWNJA-QGZVFWFLSA-N 326.444 1.909 0 40 EDAB c1cc(CN2CCC[C@H](CN3CCOCC3)C2)nc(N2CCCC2)n1 36741514 OFRYJYDNBNQRGR-QGZVFWFLSA-N 345.491 1.621 0 40 EDAB COc1ncccc1CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 30304084 ULVQRDURRZKRRA-ZDUSSCGKSA-N 329.356 1.348 0 40 EDAB COc1cnc(C2(O)CCN(C(=O)c3cccnc3)CC2)c(OC)n1 72342900 SIXPBVVNFZPHGQ-UHFFFAOYSA-N 344.371 1.013 0 40 EDAB CN1C(=O)CO[C@H](c2ccc(NC(=O)c3cccnc3)cc2)[C@H]1CO 72321467 XPGOHFRCWSOVLP-NVXWUHKLSA-N 341.367 1.225 0 40 EDAB biogenic,in-vitro C[C@H]1CN=C(N2CCN(C(=O)c3ccc4nccn4c3)CC2)S1 73118452 PZNHTJIOPPPOQO-LBPRGKRZSA-N 329.429 1.583 0 40 EDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCNC[C@](C)(F)C1 574039864 XFWXPYXHISKADV-AWEZNQCLSA-N 332.445 1.403 0 40 EDAB Cc1ccc(O[C@@H]2CCN(C(=O)COc3ccccc3F)C2)nn1 225423223 JRGXBJOVFYRACU-CYBMUJFWSA-N 331.347 1.983 0 40 EDAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C 223660912 SPJRFDHGTZDFSU-HZPDHXFCSA-N 344.440 1.956 0 40 EDAB CCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 225806693 ONTBPONRJKVKIL-UHFFFAOYSA-N 326.403 1.397 0 40 EDAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccn(C)n2)CC1=O 44873045 BBERHQKGUQCMHU-GFCCVEGCSA-N 328.372 1.729 0 40 EDAB O=C(CSc1nnc2ccccn12)N1CCC[C@H](N2CCCC2)C1 195558045 HKRHWKXLUODRCH-AWEZNQCLSA-N 345.472 1.908 0 40 EDAB Cn1c(N2CCC[C@@](O)(Cn3ccnn3)C2)nc2c(F)cccc21 578088448 ZXUBFWPUJYPQRU-INIZCTEOSA-N 330.367 1.335 0 40 EDAB CCc1nnc(NC(=O)COCc2nc(-c3ccncc3)no2)s1 96182012 XPVINFJCZYYITP-UHFFFAOYSA-N 346.372 1.701 0 40 EDAB COCCO[C@H]1CCN(C(=O)N2CCOCC2)[C@H]1Cc1ccccc1 96069920 DEDGXLSKHJWDRF-ROUUACIJSA-N 348.443 1.787 0 40 EDAB Cc1noc([C@H]2CCN(C(=O)N[C@H]3CCN(c4ccccn4)C3)C2)n1 332788690 JMPFDJWHHRCDDA-KBPBESRZSA-N 342.403 1.551 0 40 EDAB Cc1ccc([C@@H]2[C@@H](C(=O)NCc3ccco3)OCC(=O)N2C)cc1 96181467 NIYWJOWEBQCTCK-SJORKVTESA-N 328.368 1.803 0 40 EDAB c1cc2c(cc1CN1C[C@H]3[C@H](N4CCCC4)COC[C@H]3C1)OCO2 96186819 HLVYLNYHIFDHQC-BRWVUGGUSA-N 330.428 1.958 0 40 EDAB C[C@@H](CNC(=O)NC[C@H](O)c1cnn(C)c1)N1CCc2ccccc21 96437761 WSIWWLTXBNODQJ-GUYCJALGSA-N 343.431 1.204 0 40 EDAB C[C@@H](CN1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(F)cc1 97103864 YMUSATPZHCKALZ-INIZCTEOSA-N 349.450 1.406 0 40 EDAB Cc1nnc2n1C[C@@H](NCc1ccc(-n3cncn3)c(F)c1)CC2 97199467 WDGDVKIQAAVZQI-ZDUSSCGKSA-N 327.367 1.411 0 40 EDAB COc1ccc2nc(C)cc(C(=O)NC[C@@H]3CN(C)CCN3C)c2c1 96423697 MFALTINTEVGMHQ-CQSZACIVSA-N 342.443 1.527 0 40 EDAB Cc1cc(C(=O)N2Cc3nccn3C[C@H](CN3CCCC3=O)C2)no1 96188452 SSSYPGPHVRMRJN-CYBMUJFWSA-N 343.387 1.074 0 40 EDAB CN(C)C(=O)CN1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1 96216453 UAXVBWNVCNIDTL-HXUWFJFHSA-N 345.487 1.942 0 40 EDAB O=C(c1cccnc1)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96048377 ZKQKCNVZWFAJIM-MAUKXSAKSA-N 339.399 1.747 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)no1 96202334 NLTCUBHXAFOURF-KRWDZBQOSA-N 343.387 1.142 0 40 EDAB CCN(CC)C[C@@H]1CC[C@]2(COCCN(C(=O)c3cccn3C)C2)O1 248123967 LBXHERFXUOYOOQ-LPHOPBHVSA-N 349.475 1.757 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)Cc2ccc(C)cc2)Cc2ccnn21 247854521 CDWOJZFJSHFNRW-INIZCTEOSA-N 326.400 1.454 0 40 EDAB Cc1ncsc1CN1Cc2ccnn2C[C@@H](OCC(=O)N(C)C)C1 247968464 GYASVGNUWPKQFK-AWEZNQCLSA-N 349.460 1.137 0 40 EDAB O=C(C1CCC1)N1C[C@@H](O)[C@H](N2CCN(c3ccccc3)CC2)C1 257232837 GMQGYHQZDWTPKX-QZTJIDSGSA-N 329.444 1.180 0 40 EDAB CN(C)Cc1ccnc([C@H]2CN(C(=O)c3cncs3)CCO2)n1 257214380 CLTMSKASRVMCNN-GFCCVEGCSA-N 333.417 1.208 0 40 EDAB CC(C)Cn1cc(NS(=O)(=O)c2cnnn2-c2ccccc2)cn1 585086421 ZAYZVBXODWSRNA-UHFFFAOYSA-N 346.416 1.921 0 40 EDAB COc1ccc([C@H]2CNCCN2CC2(O)CCN(C(C)=O)CC2)cc1 257203682 ARCIPUJNCGCIBB-GOSISDBHSA-N 347.459 1.015 0 40 EDAB CCOCCC(=O)NS(=O)(=O)c1ccc2onc(Cl)c2c1 585136204 VZXHJFHKKPFDQY-UHFFFAOYSA-N 332.765 1.713 0 40 EDAB CC[C@H](CS(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1F)OC 585128717 LOPNGXKSJQFUIB-SECBINFHSA-N 329.357 1.173 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CCO1 257258896 KVYWLPORRBHSJE-CQSZACIVSA-N 338.371 1.608 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3nccn3C)CCO2)n1 257206634 BEHIZKCGEWHPSX-HNNXBMFYSA-N 329.404 1.403 0 40 EDAB O=C(N[C@@H]1CN(Cc2c(F)cccc2F)C[C@H]1O)c1cscn1 257274586 NLSUBHUVEUSJQG-TZMCWYRMSA-N 339.367 1.396 0 40 EDAB CC[C@@]1(C)NC(=O)N(CC(=O)NCCc2ccc(SC)cc2)C1=O 252487591 HXWWQWWZDFIPJP-QGZVFWFLSA-N 349.456 1.788 0 40 EDAB CNc1cncc([C@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)n1 257251918 JSVVJOXQANKGHH-GFCCVEGCSA-N 336.421 1.086 0 40 EDAB CC(=O)N1CCN(C(=O)Cn2cc(C)cn2)C[C@H]1c1ccccc1 257256297 KKVXQQXJOYBUAK-KRWDZBQOSA-N 326.400 1.624 0 40 EDAB Cc1cc(C)nc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257332561 XXVYPYIWWPNBDS-GFCCVEGCSA-N 339.442 1.917 0 40 EDAB COC(=O)[C@@H]1CCN(C(=O)c2ccc(F)c(C)c2)[C@@H](C(=O)OC)C1 272682224 MFRQFCKCROMBFR-TZMCWYRMSA-N 337.347 1.701 0 40 EDAB C[C@@H]1C[C@H](O)CN(C(=O)C[C@]2(O)CCCN(Cc3ccccc3)C2)C1 606444033 VOIRXNVKQLIXDI-IMFGXOCKSA-N 346.471 1.633 0 40 EDAB COC(=O)c1ccc(CNC(=O)NCC23CC(CN2)C3)nc1C1CC1 595273330 LZYHJVHJGDKAOZ-UHFFFAOYSA-N 344.415 1.297 0 40 EDAB O[C@H](CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)Cn1cccn1 286223707 YUWSPXWRTLTILM-NCXUSEDFSA-N 327.428 1.749 0 40 EDAB Cn1nnc2c1C[C@H](C(=O)NC[C@H]1CCCC[C@H]1N1CCCC1)CC2 1615001576 WPDXMXGLOYCMKR-BFYDXBDKSA-N 345.491 1.691 0 40 EDAB COCC[C@@H]1[C@H](NCC(=O)NC(C)C)CN1C(=O)OC(C)(C)C 1615571164 GJRRYKBTHWOZEE-CHWSQXEVSA-N 329.441 1.125 0 40 EDAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(C(=O)O)o1 566360330 VUJCNDBFJHTEPD-SNVBAGLBSA-N 338.385 1.818 0 40 EDAB Cc1nc2ccccn2c1C(=O)N1CC[C@H](Oc2ncc(F)cn2)C1 575413924 RPNRPYYWHGDSNI-ZDUSSCGKSA-N 341.346 1.865 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575402842 DGIYBZONJGMMQZ-AWEZNQCLSA-N 342.424 1.789 0 40 EDAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3ccnn3C)[C@H]2O)cc1 585285226 NKUMOSUTYMRJQB-KBRIMQKVSA-N 329.400 1.677 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)Cc2ccc(Cl)cc2Cl)[C@@H]1O 585286286 KFWCSGGKXXEOAB-NFAWXSAZSA-N 348.226 1.769 0 40 EDAB CCn1cc(C(=O)NC[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cn1 585285887 SZNGWYAJOWLWSW-CSMYWGQOSA-N 347.390 1.990 0 40 EDAB O=C(N[C@@H]1CCOc2ccccc21)N1CCN(c2ncccn2)CC1 43165702 ZPAXFGQATNWZCJ-OAHLLOKOSA-N 339.399 1.832 0 40 EDAB O=S(=O)(c1cccnc1)N1CCN(CCc2cccs2)CC1 57018964 ZGEDEMVRLFPKCW-UHFFFAOYSA-N 337.470 1.692 0 40 EDAB C[C@H](CNC(=O)Nc1ccc(-n2cncn2)c(F)c1)N1CCOCC1 62413786 GGKHFCBUQRJIAY-GFCCVEGCSA-N 348.382 1.249 0 40 EDAB CCc1noc([C@@H](C)N2CCC(N(C)S(=O)(=O)CC)CC2)n1 66880137 BVWGUBZUFHPYDI-LLVKDONJSA-N 330.454 1.439 0 40 EDAB C[C@@H]1CCCN(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 67465220 FCOTXFOKAXDPHD-OAHLLOKOSA-N 346.475 1.920 0 40 EDAB NC(=O)[C@H]1CN(C(=O)CCc2cccc(OC3CCCC3)c2)CCO1 67922543 QDNSEEBAATVJSI-QGZVFWFLSA-N 346.427 1.653 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@@H](n3cccn3)C2)C1=O 69370446 QYYPJLQWKHFTHC-CYBMUJFWSA-N 347.419 1.157 0 40 EDAB COC(=O)CCCc1nc(CN(C2CC2)[C@@H](C)C(=O)OC)no1 75610335 KUGHBTULQWWJIB-JTQLQIEISA-N 325.365 1.091 0 40 EDAB CC(C)(CNCCS(=O)(=O)N1CCOCC1)c1ccccc1 96490762 ABOMJAAXQUQPQA-UHFFFAOYSA-N 326.462 1.216 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)c2cccc3nccnc23)[C@@H]1c1cccnc1 583621056 SRAIWUFULZVKFF-QAPCUYQASA-N 347.378 1.727 0 40 EDAB NS(=O)(=O)c1cccc(C[C@H](SC(F)(F)F)C(=O)O)c1 627280109 JIDQGYSLCUZJJU-QMMMGPOBSA-N 329.321 1.583 0 40 EDAB Cc1nn(CC(=O)NCc2ccco2)c(=O)c2cc3sccc3n12 5108720 VXNULPGDDUKEAT-UHFFFAOYSA-N 342.380 1.929 0 40 EDAB CC(C)C[C@H]1N=C(N(C)N=O)O[P@]1(=O)NNc1ncccn1 5732365 DXWRZBUIBFOYHX-AUADJRAKSA-N 327.285 1.958 0 40 EDAB CN(C)S(=O)(=O)N1[C@H](COc2ccc(F)cc2)[C@H]2CC[C@@H]1C2 12085375 LECYYZJLDBNUNE-NJZAAPMLSA-N 328.409 1.864 0 40 EDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc(Cl)c1 12855105 HOYJAFUNXWWTLA-CYBMUJFWSA-N 330.837 1.075 0 40 EDAB Cc1cccc(Cn2cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cn2)c1 13960235 GPJXSXZTXRZBOT-YVSFHVDLSA-N 337.379 1.907 0 40 EDAB Cc1nnc(N2CC(NC(=O)c3ccc(C(F)(F)F)nc3)C2)s1 1888843201 BGEGPRBRCKHKCA-UHFFFAOYSA-N 343.334 1.879 0 40 EDAB Cc1ccnc(N2C[C@H]3CN(C(=O)NC4CCOCC4)C[C@@H]3C2)n1 1888843719 YENAWGVFGSSMHJ-KBPBESRZSA-N 331.420 1.042 0 40 EDAB CC(C)n1c(N2C[C@@H]3CN(S(C)(=O)=O)C[C@H]3C2)nc2ccccc21 1888863921 FIZWMPSLHUWLLX-ZIAGYGMSSA-N 348.472 1.945 0 40 EDAB O=C(NC1CCCC1)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888864345 QVDDHXRDPMYBDK-UHFFFAOYSA-N 349.410 1.973 0 40 EDAB CCNC(=O)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888876399 AJIPPHCTBYEXFR-UHFFFAOYSA-N 327.388 1.701 0 40 EDAB COC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc1 29785041 FTIFHWICVPGVSS-CQSZACIVSA-N 332.400 1.845 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2c(c1)CCC2 30585953 UAOURYKMMKSVTF-UHFFFAOYSA-N 335.363 1.817 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)c2csc(NC(C)=O)n2)cc1 31567707 DJERYMFZXKJSAN-ZDUSSCGKSA-N 335.385 1.574 0 40 EDAB Cc1cccc([C@H](CNC(=O)c2ccc(O)nn2)N2CCOCC2)c1 31999902 WADCUNGNUWAKLE-INIZCTEOSA-N 342.399 1.294 0 40 EDAB CCN(C)C(=O)c1cnn2c1CN(C(=O)CN(C)C(C)C)CCC2 1565544830 SMMZEOPTXLANOM-UHFFFAOYSA-N 335.452 1.048 0 40 EDAB COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3CCCO3)n2)cc1 5388932 XIOUOTBBMBZMJB-HNNXBMFYSA-N 343.383 1.214 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)Cc2ccco2)cc1F 206620977 QOZDJYSJSABWBE-QGZVFWFLSA-N 334.347 1.776 0 40 EDAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4nnc[nH]4)ccc1c23 8715866 FXHXVLHIWFGIJS-UHFFFAOYSA-N 343.368 1.739 0 40 EDAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCN(C[C@H](O)C2CC2)CC1 85436567 IFCWEGAJJPPYMK-HNNXBMFYSA-N 330.388 1.198 0 40 EDAB Cc1cccc2c1NC(=O)[C@@]21N[C@H](C)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 248211352 DHPOEPXCIQUBMS-DSBWDSPYSA-N 341.411 1.534 0 40 EDAB COc1ncccc1CNC(=O)C[C@H](NC(N)=O)c1cccc(C)c1 30303929 ZJDVAQSUHFHMGO-HNNXBMFYSA-N 342.399 1.815 0 40 EDAB O=C(NCc1ccc(F)cc1)c1nnc(CN2CCOCC2)s1 40497600 MFSOLDXCFBAMCC-UHFFFAOYSA-N 336.392 1.439 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 40462104 KANNDHJEYXOOQY-INIZCTEOSA-N 335.835 2.000 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(C)cc2)o1 31614470 FKEAUIVGXPBUNM-UHFFFAOYSA-N 338.385 1.305 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 40522944 BLZDZHUCUROTFA-WFASDCNBSA-N 328.372 1.361 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCCN(C[C@@H]2CCCO2)CC1 40505211 DQPPQLCDYKFREI-AWEZNQCLSA-N 328.416 1.890 0 40 EDAB CN(C)S(=O)(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 69654748 UIDFOKGADFUOGZ-UHFFFAOYSA-N 348.490 1.154 0 40 EDAB OCC1CCN(c2ncnc3c2nnn3Cc2ccccc2F)CC1 4985337 XJAINISAQSLSRK-UHFFFAOYSA-N 342.378 1.617 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2cc(Br)c[nH]2)n1 21496235 PZNBFTGISRSKBO-UHFFFAOYSA-N 329.179 1.514 0 40 EDAB CC(C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 7804120 SWZKKCKCAOSGKT-ZDUSSCGKSA-N 340.445 1.482 0 40 EDAB CCN1C[C@H](C(=O)N2CCN(c3ccccc3OC)CC2)CC1=O 46113271 RYFVRFDZWZXYBL-CQSZACIVSA-N 331.416 1.212 0 40 EDAB CC[C@H]1CCCCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O 52858086 QYEJYNCUOKNXDS-ZDUSSCGKSA-N 333.436 1.088 0 40 EDAB C[C@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)CCO1 103505210 NJHOBIQSSYSJAK-VHSXEESVSA-N 337.445 1.383 0 40 EDAB Cc1nn(C)c(C)c1CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1cccnc1 69493023 XCTFKOGQSIJURK-WMLDXEAASA-N 342.399 1.996 0 40 EDAB Cn1cc(C(=O)N[C@H]2CCOC3(CCN(CC4CC4)CC3)C2)cn1 108527409 VCKVCSFVVDAELL-INIZCTEOSA-N 332.448 1.574 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@H]2c2cc(C)on2)ccc1=O 54709259 IDADFTOLEIDGDE-HNNXBMFYSA-N 331.372 1.768 0 40 EDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)N1CCc2ccccc21 43229459 AYQKLVHWJYJUKI-AEFFLSMTSA-N 345.443 1.496 0 40 EDAB C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc2cnccc12 55241082 GJEHWLOALYOBFC-ZDUSSCGKSA-N 335.429 1.234 0 40 EDAB Cc1ccc(NC(=O)CCNC(=O)[C@H]2C[C@@H]2C)cc1-n1cnnn1 25148010 UTELGYJGMSWAMU-AAEUAGOBSA-N 328.376 1.072 0 40 EDAB C[C@H]1Cc2ccccc2N1CCNC(=O)N1CCC[C@@H](CC(N)=O)C1 107357398 JSBHDOZLSWYYMR-GJZGRUSLSA-N 344.459 1.735 0 40 EDAB NC(=O)C1CCN(C(=O)NCCOc2ccc3c(c2)CCC3)CC1 56485966 TYTWRRXGCATTOC-UHFFFAOYSA-N 331.416 1.461 0 40 EDAB C[C@@H]1CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CCO1 25838256 DCHFHDWDTABBOL-OAHLLOKOSA-N 345.443 1.584 0 40 EDAB COCCCNC(=O)C(=O)NCCOc1ccc2ccccc2c1 59417443 AWFAUHPAOUFDEC-UHFFFAOYSA-N 330.384 1.488 0 40 EDAB CN1CCN(C(=O)[C@@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 100124269 OGUYOGIGFGLAEX-XUMLPFHTSA-N 340.423 1.821 0 40 EDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1c(F)cccc1F 47636333 YSTKTUJRWNWSFM-SWLSCSKDSA-N 340.370 1.432 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCC[C@H](C(=O)Nc2nncs2)C1 47631362 CSWPXTRGRHCXGK-QWHCGFSZSA-N 345.428 1.415 0 40 EDAB Oc1cc(-c2cc(C3CC3)n[nH]2)nc(NCCN2CCOCC2)n1 100222362 ZVIMASRNFNBPLG-UHFFFAOYSA-N 330.392 1.194 0 40 EDAB COc1ccc(C(=O)N2CCN(Cc3cc(C)on3)CC2)c(OC)c1 58160898 LBOJQAKKSHYGNW-UHFFFAOYSA-N 345.399 1.958 0 40 EDAB Cc1cc(Cl)ccc1OCC(=O)N[C@]1(C)CCS(=O)(=O)C1 44865694 PTMQVZOSMLZPTA-CQSZACIVSA-N 331.821 1.721 0 40 EDAB CCNC(=O)COc1cccc([C@@H](C)NC(=O)c2cnn(C)c2C)c1 58283864 OKKICEAXXJLBDJ-GFCCVEGCSA-N 344.415 1.734 0 40 EDAB CC(=O)NCCNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 58209426 YGXPNDBMJNBUKK-QWHCGFSZSA-N 325.206 1.805 0 40 EDAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCC(=O)O 2116961 WMKBGKQZKVPADD-VIFPVBQESA-N 331.324 1.250 0 40 EDAB biogenic CC(C)(CNC(=O)Nc1ccc(N2CCCC2)nc1)N1CCOCC1 48084355 ZFKJXKYXFFOHIY-UHFFFAOYSA-N 347.463 1.914 0 40 EDAB CCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3358712 RIDFXTHYTHMPDD-UHFFFAOYSA-N 340.445 1.580 0 40 EDAB CN(C)[C@H]1CCCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 69737497 QEIQORLMYGMZNH-KRWDZBQOSA-N 344.459 1.778 0 40 EDAB CCS(=O)(=O)N1CCc2c(cccc2NC(=O)c2cnn(C)c2)C1 69557894 CXXVZFAEUCMXAV-UHFFFAOYSA-N 348.428 1.380 0 40 EDAB COc1cc(CN[C@H](C)C(=O)N2CCCCC2)cc2c1OCCO2 48382356 MIQRPAWQPKXKEX-CYBMUJFWSA-N 334.416 1.957 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)Nc2ccnn2CCc2ccccc2)C1 69559801 CCEGETQDRMCCJE-HNNXBMFYSA-N 341.415 1.855 0 40 EDAB COCC[C@H](C)NC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 69873876 WPZHNLFPKYWNHW-ZDUSSCGKSA-N 335.404 1.706 0 40 EDAB NC(=O)c1cnn2c1NC[C@@H](CN[C@@H]1CCOc3ccccc31)C2 69816890 UWDOWUMKQFTRLL-BXUZGUMPSA-N 327.388 1.137 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 69977798 NAFJZCSPSRXSKP-CQSZACIVSA-N 346.456 1.909 0 40 EDAB COc1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 68561779 VOEFFUSSCDUJOU-VIFPVBQESA-N 332.809 1.905 0 40 EDAB COC(=O)[C@H]1[C@@H](/C=C/c2ccccc2)[C@@H](C(=O)OC)C(=O)C[C@@]1(C)O 4309572 QIHLJTBQJBLTBV-NTITXQLZSA-N 346.379 1.618 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 6231596 SMWFANITYGBCEJ-INIZCTEOSA-N 335.429 1.700 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(c2ccccc2)=N1 14075745 VCYRBUVMAULUPJ-UHFFFAOYSA-N 333.347 1.919 0 40 EDAB Cc1nc(COC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)no1 65531303 POUKFOFLGVDMFK-ZDUSSCGKSA-N 344.371 1.437 0 40 EDAB CN(C)C(=O)CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 65562323 UFCLGLKGWLKPRV-UHFFFAOYSA-N 325.217 1.501 0 40 EDAB Cc1cc2n(n1)C[C@H](CNC[C@@H](Cc1ccccc1)N(C)C)CN2 65625654 DMLWECKLMSXPSS-QZTJIDSGSA-N 327.476 1.996 0 40 EDAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCCN1CCOCC1 14242214 KYKPAUUWGOYQTB-VMPITWQZSA-N 343.427 1.275 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCc1cccc(Cl)c1 14201290 PNNNVSPZRXLWCH-UHFFFAOYSA-N 343.770 1.660 0 40 EDAB O=C(CN1CCN(C(=O)C2(c3ccccc3F)CC2)CC1)NC1CC1 89813343 XJOTVONYMIMKSB-UHFFFAOYSA-N 345.418 1.280 0 40 EDAB O=C([C@@H]1CCCCN1C(=O)c1ccc(F)c(F)c1)N1CCOCC1 66485126 ZROPYHYNCMEZBK-HNNXBMFYSA-N 338.354 1.818 0 40 EDAB CCCOc1cccc(C(=O)Nc2nnc(S(C)(=O)=O)s2)c1 9183915 UQSFTTWWMHDBJM-UHFFFAOYSA-N 341.414 1.983 0 40 EDAB O=c1n(CN2CCC[C@@H](C(F)(F)F)C2)nnn1-c1cccs1 16838042 AOKFPBVJPOPQJT-SECBINFHSA-N 333.339 1.722 0 40 EDAB CC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(C)c2)CC1 69372625 WPKPAHYEOADFQA-QZTJIDSGSA-N 329.444 1.379 0 40 EDAB O=C(NCCc1ccc(O)cc1)C1CCN(c2ncccn2)CC1 9531313 BNLIAMWVNWVPMP-UHFFFAOYSA-N 326.400 1.758 0 40 EDAB O=C(c1cn[nH]n1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 71819832 IJNPRSDFINHTDS-UHFFFAOYSA-N 340.309 1.571 0 40 EDAB Cc1ccc(OCCC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1 71896319 CQWHGESGZNPXKH-CQSZACIVSA-N 340.445 1.291 0 40 EDAB Cc1nc(CN2CCN(c3ncnc4c3cnn4C)CC2)oc1C 71824688 WBQAXSUABUJYTK-UHFFFAOYSA-N 327.392 1.290 0 40 EDAB Cc1cc(C)c(CNC(=O)N2CCC[C@H](N3CCCC3)C2)c(=O)[nH]1 84072723 HRFBKWIBTTUBFU-HNNXBMFYSA-N 332.448 1.762 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCc2c(nc(C3CC3)n2C)C1 84012249 FCXBRQQFPWZBPJ-UHFFFAOYSA-N 342.447 1.645 0 40 EDAB Cc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)n(C)c2=O)cc1 96997786 NVZPLTWLUDSSSA-VUTUTYQISA-N 325.389 1.840 0 40 EDAB CC(C)N1C[C@H](C(=O)NCc2nc(-c3ccncc3)no2)CC1=O 72277104 CALZEYYLYRMQHC-GFCCVEGCSA-N 329.360 1.005 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)CN1Cc1ccco1 72283078 YCUKZIPCAFFOPG-ZIAGYGMSSA-N 342.399 1.757 0 40 EDAB Cc1cnn(CCNCC(=O)Nc2cc(C)nn2-c2ccccc2)c1 72253077 GYELSBKOKFDMIY-UHFFFAOYSA-N 338.415 1.914 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)no1 72299041 UYAXJSUYRNLSKJ-JSGCOSHPSA-N 344.371 1.683 0 40 EDAB Cc1cnn([C@H](C)[C@@H](C)NCC(=O)N2CC(=O)Nc3ccccc32)c1 72269818 CEQARNLLMYQZND-ZIAGYGMSSA-N 341.415 1.716 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CCCN(c3cnccn3)C1)C2 72278938 XFQULIIMYAAAOS-HUUCEWRRSA-N 340.431 1.329 0 40 EDAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 72234661 VTXMELJVTCGCBO-CYBMUJFWSA-N 331.420 1.778 0 40 EDAB Nc1ccnc(Cn2c(=O)n(Cc3ccccc3)c3ccncc32)n1 97081209 MHEGOLUJRKADRF-UHFFFAOYSA-N 332.367 1.667 0 40 EDAB Cn1cc([C@H](CO)NS(=O)(=O)c2c(F)cccc2Cl)cn1 97147217 VYADEMGNXZNJNB-NSHDSACASA-N 333.772 1.225 0 40 EDAB COC(=O)N1CCC[C@@H](C(=O)NCCc2nc3ccc(F)cc3[nH]2)C1 72306676 CRCJLPPMFUHGAS-LLVKDONJSA-N 348.378 1.839 0 40 EDAB CC(C)c1nnc2n1C[C@H](CNc1ncnc3c1cnn3C)CC2 75584744 MKJMJFCWQPCPAO-NSHDSACASA-N 326.408 1.753 0 40 EDAB CN1CCN(C2CCN(CC(=O)NCCc3ccccc3)CC2)C1=O 75604033 MZHRJGNQOKXFPG-UHFFFAOYSA-N 344.459 1.177 0 40 EDAB CCn1cc(C(=O)NCc2cc(F)ccc2N2CCN(C)CC2)cn1 95397162 BBEMRIXVJWDYQP-UHFFFAOYSA-N 345.422 1.724 0 40 EDAB CC(C)n1ccc(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)n1 95396526 DENOHTQBAMEWNI-ZDUSSCGKSA-N 341.415 1.572 0 40 EDAB CN(C)c1ncc(CNC(=O)N[C@@](C)(CO)C2CCCCC2)n1C 95410361 DTNAIOVQYZSKBI-KRWDZBQOSA-N 337.468 1.617 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)c2cnn3ccc(C)nc23)no1 76044016 CQBACEPLLYVGNB-LBPRGKRZSA-N 326.360 1.960 0 40 EDAB Cc1cc([C@@H](C)NC(=O)c2cc(S(N)(=O)=O)c(C)o2)c(C)o1 88579996 ADOFWMQJQBCCFQ-MRVPVSSYSA-N 326.374 1.936 0 40 EDAB Cc1nc(COc2ccccc2C(=O)N2C[C@@H](N(C)C)[C@H](C)C2)no1 78894673 QVUGOUMVANSPMJ-IUODEOHRSA-N 344.415 1.979 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 78889458 KEWJOUJJRQRDPS-AWEZNQCLSA-N 329.404 1.856 0 40 EDAB Cc1nnc(SC[C@@H]2CN(c3ccccc3)C(=O)O2)n1CC(N)=O 95960317 XVKVKAWHBVXFTJ-LBPRGKRZSA-N 347.400 1.189 0 40 EDAB Cc1onc(-c2ccncc2)c1C(=O)O[C@H](C)C(=O)N1CCNC1=O 95971246 TYSDJKNGJKXBTA-SNVBAGLBSA-N 344.327 1.142 0 40 EDAB COC(=O)[C@@H](N[C@@H](C(N)=O)C(C)C)c1ccc(Br)cc1 95960192 UQRSAROBFPHVOK-NEPJUHHUSA-N 343.221 1.763 0 40 EDAB CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)Cc2cc(F)ccc2F)O1 95984354 XPFMSQXZYAIXOO-GXTWGEPZSA-N 326.343 1.259 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccncc1 78988596 UXBAUMQRVQDHPY-KOLCDFICSA-N 330.310 1.605 0 40 EDAB CN1CCCN(c2ccc(CNC(=O)NC[C@@H]3CCOC3)cn2)CC1 89382473 FIOCKNHMSWPWPM-INIZCTEOSA-N 347.463 1.059 0 40 EDAB CCN(C[C@@H]1CCN(C(=O)c2nccnc2N)C1)CC(F)(F)F 75092494 JRBLESNLCQTKDU-JTQLQIEISA-N 331.342 1.405 0 40 EDAB COc1ccc(C(=O)N[C@H]2CCC(=O)N(C)C2)cc1OC(F)F 75143131 BGSZAKVFTPUTRZ-JTQLQIEISA-N 328.315 1.647 0 40 EDAB Cc1cnn(CCC(=O)N2CCC(CN3CCCCC3=O)CC2)c1 75141548 WTQUSHJSPKUNFT-UHFFFAOYSA-N 332.448 1.833 0 40 EDAB COCCN1CCN(CC(=O)NCC2(c3ccccc3)CC2)C[C@@H]1C 75129490 LKNLZZPSPITZMO-KRWDZBQOSA-N 345.487 1.487 0 40 EDAB Cc1cc(C)c2c(OCC(=O)N3C[C@@H](N(C)C)[C@H](C)C3)nn(C)c2n1 89600752 YCJRFWQOASJTNG-TZMCWYRMSA-N 345.447 1.372 0 40 EDAB CC(C)NC(=O)COc1coc(CN2CCSCC2)cc1=O 79477781 WGXCLRJAFMWJCW-UHFFFAOYSA-N 326.418 1.092 0 40 EDAB CCOC(=O)c1oc(N2CCN3C(=O)CC[C@H]3C2)nc1C(F)(F)F 1548513976 JXTVVKBSYJUIPY-QMMMGPOBSA-N 347.293 1.681 0 40 EDAB Fc1ccc(N2CCN(Cc3nnnn3C[C@@H]3CCCO3)CC2)cc1 20140605 KYDWBSSJLPUDIH-INIZCTEOSA-N 346.410 1.313 0 40 EDAB CCCn1nc(C)cc1NS(=O)(=O)c1cnn(-c2ccccn2)c1 72238922 MCIUUEVGFBPATP-UHFFFAOYSA-N 346.416 1.983 0 40 EDAB Cc1cccnc1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 30557195 OPMUIAWQYNMRLK-UHFFFAOYSA-N 337.387 1.683 0 40 EDAB COc1ccccc1N1C[C@H](C(=O)N2CCN(C)C(C)(C)C2)CC1=O 514616686 DMSNDIMGAAGIFR-CQSZACIVSA-N 345.443 1.601 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cccc(C(F)(F)F)c2)C1=O 408549239 RGERCUCMFFEUBN-UXBLZVDNSA-N 328.246 1.771 0 40 EDAB COC(=O)c1cn(C[C@H]2CC[C@H](C(=O)O)CC2)cc2c(O)nnc1-2 524729769 IUIKSMJFZXCIPX-MGCOHNPYSA-N 333.344 1.766 0 40 EDAB biogenic CN1C(=O)CO[C@H](C(=O)Nc2nccs2)[C@H]1c1cccc(F)c1 72241758 KKNSJCSBPBLYDK-OLZOCXBDSA-N 335.360 1.819 0 40 EDAB O=C(O)c1cccc(OCCN2CCNC(=O)[C@@H]2c2ccccc2)c1 566359063 OYRVFWOTHVBVMI-KRWDZBQOSA-N 340.379 1.937 0 40 EDAB CC(C)c1noc(CN2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 30693788 XZWGYRGTLVALNX-INIZCTEOSA-N 343.431 1.537 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCC(F)(F)[C@H](C(=O)O)C2)c1 560421217 BYPPNJPXMQKZNU-VIFPVBQESA-N 337.348 1.195 0 40 EDAB CN1c2ncccc2C(=O)NC12CCN(C(=O)c1ccncc1)CC2 72347080 IUFIBTUAVINGJA-UHFFFAOYSA-N 337.383 1.289 0 40 EDAB c1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)nc1 41531909 GZKUYRQJHWOPOQ-UHFFFAOYSA-N 339.403 1.345 0 40 EDAB CCc1noc(CC)c1CC(=O)N1CCNC[C@@H]1c1ccncc1 562964822 CIRRRFGBTFINOJ-MRXNPFEDSA-N 328.416 1.910 0 40 EDAB CN1CC[C@H](c2nn(CCNC(=O)CC(C)(C)C)c3nccnc23)C1 72391651 DRCDSYJADBWKSW-ZDUSSCGKSA-N 344.463 1.798 0 40 EDAB O=C(c1cc(Cn2cccn2)on1)N1CCOC[C@@H]1CC1CCC1 564080454 ISCYGRQYLMYEQU-AWEZNQCLSA-N 330.388 1.951 0 40 EDAB COCCCNS(=O)(=O)c1ccc(Br)cc1OC 41095566 MPBMBYYGFZPRRL-UHFFFAOYSA-N 338.223 1.773 0 40 EDAB CCCn1c(C)nnc1S(=O)(=O)Cc1ncn(-c2ccccc2)n1 195207014 GFUBYPGIPBRMBJ-UHFFFAOYSA-N 346.416 1.551 0 40 EDAB CC(C)(C)c1nccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 80764691 OLCIKIOUWMSUSQ-CYBMUJFWSA-N 338.477 1.083 0 40 EDAB Cc1noc(-c2cccn3c(CNC(=O)c4ccno4)nnc23)n1 225746991 NQJQAWAEVFEVCO-UHFFFAOYSA-N 325.288 1.006 0 40 EDAB O=C(CCn1cnc2ccccc21)N[C@@H]1CCc2n[nH]c(=O)cc2C1 225786005 UJCRKESUMFTEAN-CYBMUJFWSA-N 337.383 1.183 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1C 226687501 GSOCDFBPFYXFPA-LBPRGKRZSA-N 341.429 1.967 0 40 EDAB O=C(c1ccc2[nH]cnc2c1)N1CC(c2nc(-c3ncccn3)no2)C1 49482829 FGSZPZPFCVVZIK-UHFFFAOYSA-N 347.338 1.643 0 40 EDAB CN1CCN(C[C@H](O)CN(C)c2ccnc3c(F)cccc23)CC1 195578580 TYWRUBANMVVFTI-CQSZACIVSA-N 332.423 1.418 0 40 EDAB CCN1CCOC[C@@H]1C(=O)N[C@H](C)c1cc(OC)c(OC)cc1C 330640336 BGNWAUFGXUBJQK-UKRRQHHQSA-N 336.432 1.910 0 40 EDAB CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)c3c[nH]cc3C)C2)ccn1 576099546 AETNATVJXUSREG-CQSZACIVSA-N 342.399 1.761 0 40 EDAB O=C(c1cscn1)N1C[C@@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 96042432 ZRJDNGNJVWWNJC-KFWWJZLASA-N 331.397 1.989 0 40 EDAB c1csc(CNC[C@@H]2COCc3c(-c4ccoc4)nnn3C2)n1 96199383 CHUVVDNFDZUYQX-NSHDSACASA-N 331.401 1.931 0 40 EDAB COC(=O)CCC(=O)N1CC2(CCN(Cc3ccc(O)cc3)CC2)C1 96203003 STKVALBVMGAHSC-UHFFFAOYSA-N 346.427 1.770 0 40 EDAB O=C(c1ccco1)N1CC[C@@H]2CN(C3CCOCC3)CCO[C@@H]2C1 96249671 FBZHCEBNGHNPGE-RHSMWYFYSA-N 334.416 1.622 0 40 EDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)NCCCc2cccc(F)c2)C1 578353698 RYEIGHZCAAYSEX-CYBMUJFWSA-N 344.408 1.389 0 40 EDAB Cc1nsc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)n1 96427299 HMRZIBRSOXSIJO-UHFFFAOYSA-N 342.428 1.405 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CCc3c(ccc(=O)n3C)C2)cc1 96067588 YUFYJOPONDERAT-CYBMUJFWSA-N 348.424 1.230 0 40 EDAB CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)c2cc(C)n(C)n2)n1 583257759 YGLNIXWGHVBCNO-NSHDSACASA-N 348.407 1.541 0 40 EDAB c1ccc(CN2CCOC[C@@]3(CC[C@H](Cn4cncn4)O3)C2)cc1 96160487 WMPCQOOXUXPMFM-QZTJIDSGSA-N 328.416 1.728 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)nn1C 96416693 ZGUPHJFYHXBDJQ-CYBMUJFWSA-N 332.791 1.917 0 40 EDAB O=C(NCc1cccs1)[C@@H]1C[C@H]2OCC[C@H]2N(c2ncccn2)C1 96038952 DDAJFGQLMBEXHH-BPLDGKMQSA-N 344.440 1.838 0 40 EDAB CCOCC(=O)N1Cc2ccnn2C[C@H](COc2cccnc2)C1 96189142 PDWBIHSSXYLSFX-CQSZACIVSA-N 330.388 1.352 0 40 EDAB CN(CCNC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1 96454996 RLRHATKJNARWMY-KRWDZBQOSA-N 346.475 1.487 0 40 EDAB COC(=O)[C@@H]1[C@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@]1(C)O 245232420 VUGOLLUZWMJXDN-IFIJOSMWSA-N 348.355 1.058 0 40 EDAB Cc1cc(C)cc(CCC(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)c1 583617822 VHDDEBXPJKCRNF-SFHVURJKSA-N 328.416 1.864 0 40 EDAB COC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccc(F)c(F)c1)C2 247820661 CYMLZQFBRLKGLN-LBPRGKRZSA-N 331.384 1.600 0 40 EDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n(C)n2)[C@H]1O 257212910 CFKMOXZCIIYCFY-CKYFFXLPSA-N 335.326 1.439 0 40 EDAB Cc1cc(C(=O)N2C[C@@H](O)[C@H](N3CCc4ccccc4C3)C2)no1 257281951 ORQRNRMMCDKXKC-IAGOWNOFSA-N 327.384 1.227 0 40 EDAB CNc1cc(CC[C@@H]2CN(C(=O)c3cnccn3)CCO2)ccn1 257277558 NYKOMEXWQBINGS-CQSZACIVSA-N 327.388 1.387 0 40 EDAB CC(=O)N1CCC[C@@H](Cc2nccnc2-c2cnc3ncccn23)C1 257311978 ULWHPCYJUNAMNK-AWEZNQCLSA-N 336.399 1.987 0 40 EDAB Cc1occc1C(=O)N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1 252504210 VIGNZEIFXADNJX-LLVKDONJSA-N 344.293 1.956 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@]2(C)NCCCC[C@H]12 257341998 ZMRAAWXVVOETQE-GJZGRUSLSA-N 326.466 1.414 0 40 EDAB CN(C)Cc1nccnc1C1CCN(C(=O)c2ccnnc2)CC1 257266716 MEEBULCKYGZAJW-UHFFFAOYSA-N 326.404 1.348 0 40 EDAB Cc1nc(CCN(C)C(=O)c2ccnc(N3CCO[C@@H](C)C3)c2)no1 585082632 UPPXUIBAXVWJTF-LBPRGKRZSA-N 345.403 1.313 0 40 EDAB Cc1ccccc1CNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 585131721 DZKIGZKMAMZYRZ-NEPJUHHUSA-N 335.347 1.834 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1 257279329 OGCMNGXWKALKLD-INIZCTEOSA-N 346.431 1.275 0 40 EDAB Cc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2O)n1 257242373 ICEIIRJLDMNNGB-NCOADZHNSA-N 346.358 1.201 0 40 EDAB COc1ccc(C2=NN(/C=C3\SC(=O)NC3=O)[C@H](C(=O)O)C2)cc1 256028084 RRZYFODODQGLHX-ZWIPKHHJSA-N 347.352 1.383 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)[C@@H]1CCN(C)[C@@H]1C 592797880 KWSDZPUOPHTZJO-XOSAIJSUSA-N 332.444 1.863 0 40 EDAB O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccc(C(=O)O)nc1 595998231 LJCGUKOHIZUFLC-UHFFFAOYSA-N 326.312 1.776 0 40 EDAB CN(C)c1ccc([C@@H](O)CNS(=O)(=O)c2cccs2)cc1 90611842 LAQFZORURNKQKL-ZDUSSCGKSA-N 326.443 1.826 0 40 EDAB Cc1cc(N2CCN(C)[C@@]3(CCOC3)C2)nc(-c2ccncc2)n1 1615592436 UAGSZHIEJSCLBI-SFHVURJKSA-N 325.416 1.758 0 40 EDAB Cn1cnn(CCC(=O)NC[C@H]2CC(C)(C)Oc3ccccc32)c1=O 1615566055 QKMXKTBLARZSEM-CYBMUJFWSA-N 344.415 1.433 0 40 EDAB C[C@H](N[C@@H]1CCN(CC2CC2)C1)c1ccc(S(N)(=O)=O)cc1F 1616041478 UQOSSWFKWMLPRX-WCQYABFASA-N 341.452 1.608 0 40 EDAB O=C(NC1CC1)[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21 575404989 QSIHCKQYVGNWFR-QGZVFWFLSA-N 349.394 1.840 0 40 EDAB COc1nc(CNC(=O)c2ccc(Cl)s2)nc(N(C)C)n1 575603973 NDHGFHXLOGMVAV-UHFFFAOYSA-N 327.797 1.591 0 40 EDAB COCC(=O)NC[C@H]1CCC2(CN(C(=O)CCC(C)C)C2)OC1 585093675 HMIWMFADWOXRQF-CQSZACIVSA-N 326.437 1.193 0 40 EDAB COCC(=O)N1CCn2c(CCOc3ccccn3)cnc2[C@@H]1C 585097066 FHZVWOMAYSGQHF-ZDUSSCGKSA-N 330.388 1.449 0 40 EDAB COc1ncc(CN2CCOC[C@](O)(COc3ccccc3)C2)cn1 585268953 FNPRSSCZPZOSBV-SFHVURJKSA-N 345.399 1.128 0 40 EDAB C[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 46254181 WZMGRYGYRXSPSI-NEPJUHHUSA-N 332.356 1.016 0 40 EDAB Cn1ccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)n1 55575074 HAQAGCFXGLUTGQ-UHFFFAOYSA-N 335.385 1.798 0 40 EDAB NC(=O)CN1CCCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 69441410 ZINTWTSPXIDAOX-NWDGAFQWSA-N 335.370 1.375 0 40 EDAB O=C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)nc2)C(=O)N1 95394691 GZYLDSFDBXKCPN-UHFFFAOYSA-N 340.339 1.754 0 40 EDAB COC(=O)c1ncoc1COCC(=O)N1CC[C@]2(C)[C@@H](C1)C2(F)F 599964926 QVJYBHYEYOLGJB-QMTHXVAHSA-N 344.314 1.482 0 40 EDAB CCN1CCC(CNC(=O)[C@]2(N)CCc3c(OC)cccc32)CC1 1615614058 FABZNTAIASCNGN-IBGZPJMESA-N 331.460 1.644 0 40 EDAB CCN(CC)c1ccc(CNc2ccnc(S(N)(=O)=O)c2)cn1 1615613068 FCPPNWKAZJFBCV-UHFFFAOYSA-N 335.433 1.582 0 40 EDAB CSCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 1775967012 BIYUDYOHXUDJFZ-NSHDSACASA-N 330.837 1.817 0 40 EDAB Cc1nc(O)c2nnn(C[C@H]3CCCN(C(=O)C4CCCC4)C3)c2n1 12084998 QYZBGHOLHZJPLE-LBPRGKRZSA-N 344.419 1.664 0 40 EDAB C[C@@H](Cn1nnc2ccccc21)NC(=O)CN1Cc2ccccc2C1=O 12141909 YJEFFFBTOVYZKW-ZDUSSCGKSA-N 349.394 1.592 0 40 EDAB CN1C[C@@H](C(=O)N2CCC[C@@H](n3nnc4cc(F)ccc43)C2)CC1=O 12184849 YIDWMCCDTLDEGD-WCQYABFASA-N 345.378 1.212 0 40 EDAB CN(Cc1nc(N(C)C)ncc1-c1ccncc1)C(=O)[C@H]1CCCO1 12222368 VQUXEBXSYLZAQQ-MRXNPFEDSA-N 341.415 1.742 0 40 EDAB Nc1c(C(=O)NC[C@@H]2CCCO2)sc(=S)n1C[C@H]1CCCO1 13547226 LVYCBQHQKPNMQR-VHSXEESVSA-N 343.474 1.949 0 40 EDAB O=C(Cc1ccccc1F)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 19348054 VWXCMDUXBKYSDY-CQSZACIVSA-N 340.402 1.820 0 40 EDAB CCOC(=O)C1=C(NC(=O)/C=C/C(=O)O)S[C@@H]2CCCC[C@H]12 5457968 HGPQYMLBMDFBDG-ACMYFRETSA-N 325.386 1.824 0 40 EDAB O=C1CCCN1Cc1cn(C2CN(C(=O)Nc3cccs3)C2)nn1 225633089 NDPVHRUQCGKURM-UHFFFAOYSA-N 346.416 1.551 0 40 EDAB Cn1ccnc1CN1C[C@@H](O)[C@@]2(C[C@@H](c3cccc(F)c3)CO2)C1 643586003 NCKIYRULGKGGLG-QGPMSJSTSA-N 331.391 1.679 0 40 EDAB NC(=O)c1cc(NC(=O)CCC(=O)c2ccccc2)cc(C(N)=O)c1 6085165 IQECHUYREGQSAG-UHFFFAOYSA-N 339.351 1.486 0 40 EDAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCN(c2ncccn2)CC1 14181790 LXZOQRAPHKSQOV-OAHLLOKOSA-N 344.802 1.782 0 40 EDAB CNC(=O)C1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)CC1 32056115 XVEAISHERMLOTM-UHFFFAOYSA-N 327.388 1.174 0 40 EDAB COc1cc(N2CCN(C(=O)c3cc(C)oc3C)CC2=O)ccn1 1776007914 LXBUFZWPFFEFGD-UHFFFAOYSA-N 329.356 1.789 0 40 EDAB NC(=O)C1CCN(C(=O)c2ccc(OCC3CCOCC3)nc2)CC1 244933244 CIQXNKIUUFRNEB-UHFFFAOYSA-N 347.415 1.225 0 40 EDAB O=C(N[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1ccncc1F)c1ccco1 247864487 NYSFJBXBJJROCU-DDTOSNHZSA-N 329.331 1.989 0 40 EDAB COc1cccc(S(=O)(=O)N2CCCN([C@H]3CCOC3)CC2)c1 1565522568 KRRZNNWXXMLXPM-AWEZNQCLSA-N 340.445 1.181 0 40 EDAB CNC(=O)NC[C@H]1CCC2(CCN(C(=O)c3cc[nH]c3)CC2)CO1 1565554607 VTTURJWDFASGCQ-CQSZACIVSA-N 334.420 1.345 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCc3onc(CN4CCCC4)c3C2)no1 2055730182 JJBRLGKSZYPFLZ-GFCCVEGCSA-N 330.388 1.854 0 40 EDAB Cn1c(O)nc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1=O 1775976344 YXGCMWGNAMQYRJ-GASCZTMLSA-N 326.400 1.054 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)NC[C@]2(O)CCCc3occc32)c1 1775965840 LTKJOPGCHZQDLW-QGZVFWFLSA-N 349.408 1.985 0 40 EDAB O=C(CN1C(=O)CCC1=O)NCC1(c2ccccc2)CCOCC1 38591772 LUNFWMQCKLLMSM-UHFFFAOYSA-N 330.384 1.000 0 40 EDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(C=O)cc1 9252701 OSLKXGKYNJUROC-QGZVFWFLSA-N 341.363 1.778 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(=O)O 207716429 MQXBCBVPCOSUBF-YVEFUNNKSA-N 343.383 1.526 0 40 EDAB Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)n[nH]2)s1 40107628 VYGVEOCBVIRFPV-LLVKDONJSA-N 334.445 1.897 0 40 EDAB CCOc1ccc(OCCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 40161706 IQRPYEVWQMDUTG-GOSISDBHSA-N 348.443 1.787 0 40 EDAB C[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1cccc(S(N)(=O)=O)c1 40215870 PONBJPYJAUYQMU-MRVPVSSYSA-N 327.793 1.807 0 40 EDAB Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)on2)cc1 31277167 XYLFWQUXYHTEED-ZDUSSCGKSA-N 334.397 1.909 0 40 EDAB COc1cccc(CO[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 40523654 VBXVPNFNHJQTNH-OCCSQVGLSA-N 341.429 1.246 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](c2ccccc2)C1 40511243 SSMRTOJQPGGFNG-JSGCOSHPSA-N 328.420 1.654 0 40 EDAB CCCCc1noc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)n1 40540604 FUUJDASYZFJBDH-UHFFFAOYSA-N 346.435 1.540 0 40 EDAB CCOC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 45800381 SYKUUCWDGZQQJQ-QGZVFWFLSA-N 332.356 1.175 0 40 EDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC 20763153 IQSBCZBTKJTWAS-INIZCTEOSA-N 344.371 1.248 0 40 EDAB biogenic Cc1cc(O)nc2nnc(SCC(=O)NCc3ccccc3)n12 4249923 GSMUQHJGEGEACI-UHFFFAOYSA-N 329.385 1.547 0 40 EDAB CN(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 382509 RSURSNNWQFJCJQ-UHFFFAOYSA-N 344.392 1.490 0 40 EDAB COc1cccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 6851286 JAAXNISQGYPTMY-UHFFFAOYSA-N 348.424 1.244 0 40 EDAB CCCNC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl 6879697 GMZCGVNXTDDFKU-UHFFFAOYSA-N 325.217 1.798 0 40 EDAB CC(C)c1ccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc1 32689074 NVZFZIQHOSPMNC-UHFFFAOYSA-N 329.356 1.702 0 40 EDAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCNC(=O)C1 32732026 OCUARCSIRVTXII-UHFFFAOYSA-N 346.818 1.774 0 40 EDAB CCCCn1nnnc1CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O 32741615 FHVSARYVRLVUKR-NSHDSACASA-N 346.366 1.970 0 40 EDAB COCCCN1C(=O)c2ccc(C(=O)Nc3ccccn3)cc2C1=O 32716513 WNFWLRHGBAHNLS-UHFFFAOYSA-N 339.351 1.966 0 40 EDAB CN(Cc1ccccc1F)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 103048166 ZIGDVDADZOFXCI-KBPBESRZSA-N 332.375 1.959 0 40 EDAB COC(=O)CCCCC(=O)[C@@H]1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 101258464 AAHHLCOFCISNAT-ZIAGYGMSSA-N 340.372 1.262 0 40 EDAB NC(=O)C1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1 53493041 ZUEAJEABUYXBNA-OAHLLOKOSA-N 348.447 1.714 0 40 EDAB C[C@H](NC(=O)NC1(CO)CCCC1)c1cccc(-n2cncn2)c1 89905381 CGCYLUMOCMEKDK-ZDUSSCGKSA-N 329.404 1.933 0 40 EDAB O[C@H]1O[C@@H]2CC[C@H]3[C@H]2[C@H]2[C@@H]4[C@H]3[C@]35[C@@H]6[C@H]7[C@H](CC[C@H]7[C@H]([C@@H]46)[C@]123)O[C@H]5O 104287157 LJFQEIKHNCSUHM-KCCBNWCJSA-N 328.408 1.211 0 40 EDAB O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCN(CCO)CC1 75572195 MYFUHLVKKOZWQM-ZIAGYGMSSA-N 342.361 1.945 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]1O2 107264472 PDEWHNNYHOFPQF-IPMKNSEASA-N 337.423 1.987 0 40 EDAB CC(C)N(CCNC(=O)c1cccnc1N1CCOCC1)C(C)C 23179871 ZNCIQPUEGQMZKG-UHFFFAOYSA-N 334.464 1.767 0 40 EDAB CC/N=c1\nc(NCC)nc2n1[C@@](O)(c1ccc(C)cc1)CS2 102916270 PXGICKQNXWDTSL-INIZCTEOSA-N 331.445 1.738 0 40 EDAB C[S@](=O)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 76016877 JVCKJVUFLANMHM-QMHKHESXSA-N 337.489 1.576 0 40 EDAB CN(C)C(=O)CN1C(=O)[C@@H]2c3c([nH]c4ccccc34)CC[C@H]2C1=O 104612509 WENJLFXQUOXWAM-BZNIZROVSA-N 325.368 1.271 0 40 EDAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N1C[C@@H](C)O[C@H](C)C1 104707997 BWBXWSUFAFGZAR-UPJWGTAASA-N 340.445 1.767 0 40 EDAB Cc1ccccc1NC(=O)Cn1c(=O)c2ccccc2n2nncc12 2957592 KTLNBLYWWJKWKI-UHFFFAOYSA-N 333.351 1.991 0 40 EDAB Nc1cc(CCCNC(=O)NC[C@H]2CCCO2)nn1-c1ccccc1 42865964 VUVAFAFDPCVODL-MRXNPFEDSA-N 343.431 1.865 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2ccccc2F)C1 57318955 UBRKQXUIEDDVTG-DZGCQCFKSA-N 336.407 1.758 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N1CCC[C@H]1Cn1cccn1 69770366 HQBUVUPCVLQBCA-ZDUSSCGKSA-N 325.434 1.232 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)C[C@@H](C)n3cccc3)CC2)n1 69704314 VFKONOLVFZYQHF-OAHLLOKOSA-N 343.431 1.977 0 40 EDAB CN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 47615835 WIGQOMSYODNFPE-MRXNPFEDSA-N 341.455 1.739 0 40 EDAB COc1ccc(-c2nc(CN[C@@H]3CCc4ncnn4C3)no2)cc1 69779229 RIPWSUMADPSIFC-GFCCVEGCSA-N 326.360 1.441 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 26097991 RUPYKFZNAGOWDP-VOTSOKGWSA-N 342.848 1.893 0 40 EDAB CCCCN(C)C(=O)Cn1c(=O)n(CCC)c(=O)c2sccc21 57478857 ULYJTZKBYZXIJH-UHFFFAOYSA-N 337.445 1.893 0 40 EDAB O=C(CN1CCCCC1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 57826973 NDMGZAJSGWVXCO-INIZCTEOSA-N 342.505 1.821 0 40 EDAB O=C(Cc1noc2ccccc12)N1CCN(C(=O)c2ccoc2)CC1 57992643 HHOPSYTYNXBGJV-UHFFFAOYSA-N 339.351 1.948 0 40 EDAB O=c1c2ccccc2nnn1C[C@@H](O)CN1CCc2ccccc2C1 58156584 OZDHMLUCSWBGHF-INIZCTEOSA-N 336.395 1.211 0 40 EDAB CON(C)C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 58217195 MWFVPSMEZYFRML-UHFFFAOYSA-N 340.426 1.860 0 40 EDAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCOCC1 58223637 XSKHIBBNOJAQJP-AWEZNQCLSA-N 326.396 1.746 0 40 EDAB C[C@@H](CNC(=O)NCc1cccnc1N(C)C)N1C[C@@H](C)O[C@H](C)C1 44954741 CUSXAZAEFJGMLZ-RRFJBIMHSA-N 349.479 1.445 0 40 EDAB COC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 10388442 YUGDUXUAKCIPAW-LLVKDONJSA-N 341.385 1.189 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)NCc1ncc(-c2ccccc2)[nH]1 58332570 WGRACIHOZDDTAB-GFCCVEGCSA-N 333.413 1.518 0 40 EDAB CCC1(CC)NC(=O)N(C[C@H](O)CN2CCc3ccccc3C2)C1=O 58434959 SITSRDHYEPQICQ-MRXNPFEDSA-N 345.443 1.516 0 40 EDAB COc1coc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1=O 16850741 QWFPFHYMTUJGOK-UHFFFAOYSA-N 332.331 1.750 0 40 EDAB Cc1nc(C(=O)NCC(=O)NC(C)(C)C)nn1-c1ccc(F)cc1 12790979 MVNXWYXEKNPLFV-UHFFFAOYSA-N 333.367 1.359 0 40 EDAB COC[C@@H](C)N(C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 48290948 UULLPUGOPNAXGX-CQSZACIVSA-N 335.452 1.010 0 40 EDAB COc1cc(OC)c(C(=O)OCC(=O)NC(C)(C)C)cc1OC 3445988 GYWYRWLKDMMZQQ-UHFFFAOYSA-N 325.361 1.784 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1ccc3c(c1)OCCCO3)CC2 62640120 JOFYAMAEKGMNHG-ZDUSSCGKSA-N 328.372 1.493 0 40 EDAB COc1cc(/C=C/C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc(OC)c1 12925905 MWMHCFTVFQHZJY-DWTRPJMMSA-N 339.413 1.410 0 40 EDAB Cn1ncc2c(N3CCN(Cc4nc5ccccc5o4)CC3)ncnc21 12986725 ATMAQZLBCBGLQW-UHFFFAOYSA-N 349.398 1.827 0 40 EDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cnc2ccccc2n1 8315922 JMGJBYXUKZUBOB-UHFFFAOYSA-N 339.355 1.529 0 40 EDAB CC(C)Oc1cccc(/C=C/C(=O)N2CCCN(CC(N)=O)CC2)c1 69485668 MCKHYCPHFSBNBU-BQYQJAHWSA-N 345.443 1.507 0 40 EDAB Cc1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1F 69454009 AJUAAAJZOCPPAO-MRXNPFEDSA-N 335.423 1.807 0 40 EDAB O=C1C[C@@H](C(=O)NCCCOC[C@@H]2CCCO2)c2ccccc2N1 65417529 APQRZHULQUEMFT-DZGCQCFKSA-N 332.400 1.814 0 40 EDAB COc1cc(C(=O)N[C@H]2CCc3nccn3C2)cc2c1OCCO2 65463155 YTRURDDMPNVYDF-LBPRGKRZSA-N 329.356 1.408 0 40 EDAB COCCCS(=O)(=O)NCc1ccccc1CN1CCCC1 65588414 FIORJBFIOSDERD-UHFFFAOYSA-N 326.462 1.738 0 40 EDAB CCc1nn(CC(=O)NCc2ccc(OC)c(OC)c2)c(=N)s1 6497120 OXSQKUKFLMKLJP-UHFFFAOYSA-N 336.417 1.320 0 40 EDAB CC[C@@H](C)C(=O)NCC(=O)NCc1ccccc1N1CCOCC1 65607654 KYDSEARKSDEPHF-CQSZACIVSA-N 333.432 1.302 0 40 EDAB CCCN(C(=O)c1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 14246302 JZZIDWVWWAPPIJ-GFCCVEGCSA-N 341.429 1.743 0 40 EDAB O=C(NC1=NCCS1)c1ccc(C(=O)NC2=NCCS2)cc1 5569464 GAPPQMHUNOGSJE-UHFFFAOYSA-N 334.426 1.352 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1N=CC[C@]1(O)C(F)(F)F 5603273 NKCXAIDBWAPREB-QMMMGPOBSA-N 330.188 1.371 0 40 EDAB COc1ccc([C@@H](Nc2ccc3nnnn3n2)c2nccn2C)cc1 9115078 WXSDUEQRJSUVAY-OAHLLOKOSA-N 336.359 1.463 0 40 EDAB CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN(Cc2ncc[nH]2)C1 89893603 FHHXXALBWKKTIR-CYBMUJFWSA-N 332.408 1.539 0 40 EDAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2N)cc1 7374638 OXDCBPPSUDOBJU-UHFFFAOYSA-N 346.314 1.990 0 40 EDAB C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 67839865 KKSDTANDFQOIDG-GFCCVEGCSA-N 349.456 1.812 0 40 EDAB CC[C@H]1CN(C(=O)NCc2ccc(Cn3cncn3)cc2)CCO1 89949254 VXVYOCIKWWKJAL-INIZCTEOSA-N 329.404 1.647 0 40 EDAB C[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccc([S@@](C)=O)cc1 90799432 HDMIFAOLKNFYJU-YOEYROIRSA-N 344.502 1.499 0 40 EDAB C[C@@H](NCC1CCS(=O)(=O)CC1)c1ccc(-n2cnnn2)cc1 90882311 UPAHNYQNHRWRLM-GFCCVEGCSA-N 335.433 1.138 0 40 EDAB CC[C@]1(C)NC(=O)N(NC(=O)CCc2c[nH]c3ccccc23)C1=O 7985169 WOBWRCWUWHZMJH-KRWDZBQOSA-N 328.372 1.852 0 40 EDAB CCCCn1nnnc1CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 9365480 FCJSPZPJVAYISY-QGZVFWFLSA-N 340.387 1.367 0 40 EDAB Cc1nc(C)c(CCC(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 9454991 WQNXFDANTAEJMR-UHFFFAOYSA-N 329.356 1.364 0 40 EDAB O=C(CSc1nnnn1C1CC1)Nc1ccc2c(c1)OCCCO2 9466182 WITIWRKFOAGIQP-UHFFFAOYSA-N 347.400 1.900 0 40 EDAB CN1CCC[C@H](NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1=O 96487107 YSMLDMXIEQQIRB-RYUDHWBXSA-N 331.199 1.764 0 40 EDAB O=C1C[C@H](C(=O)N2CCCN(c3nccs3)CC2)CN1CC1CC1 71830683 KYWVIPUJRYGKBH-AWEZNQCLSA-N 348.472 1.440 0 40 EDAB O=C(NCCCN1C(=O)CCC1=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 71879676 APDKGOSOACSPFY-MNOVXSKESA-N 349.353 1.946 0 40 EDAB C[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)CN1CCCC1=O 71833178 PJMHBSFGKRWOMZ-VIFPVBQESA-N 342.325 1.814 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)c2ccc(O)nn2)Oc2ccccc21 71896588 DLTYZAFEWLKMFR-GFCCVEGCSA-N 328.372 1.542 0 40 EDAB CN(Cc1ccccc1)C[C@@H](O)CN1CCCC[C@@H]1Cn1cncn1 71877015 PDBKCNDPMGAUCO-RTBURBONSA-N 343.475 1.626 0 40 EDAB O=C1OCC[C@H]1N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 71875003 ZUJHLJSFSYSACX-CYBMUJFWSA-N 326.755 1.552 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCN1CCN(c2ccc3nncn3n2)CC1 71863675 UQEUUOYALZNUCI-HOTGVXAUSA-N 344.463 1.842 0 40 EDAB COC[C@H]1CCN(S(=O)(=O)N2CCC[C@H]2c2ccc(C)o2)C1 78881003 LOXOSSDKMOTVQI-KBPBESRZSA-N 328.434 1.938 0 40 EDAB CC(C)c1cc(NC(=O)CNC[C@H]2CCCN2c2cccnn2)on1 72276753 GWWAIOZYNLMOJG-CYBMUJFWSA-N 344.419 1.785 0 40 EDAB COc1c([C@@H]2CCCN2[C@@H](C)C(=O)N2CCOCC2)c(C)nn1C 72253655 XDDBXOXJTFRRKW-KBPBESRZSA-N 336.436 1.121 0 40 EDAB Cn1cc(N2CCC[C@@H](N3CCC[C@H](c4ccn[nH]4)C3)C2=O)cn1 72296404 MLJCEFGKTIUNNZ-XJKSGUPXSA-N 328.420 1.518 0 40 EDAB C[C@@](O)(CNC(=O)Nc1ccccc1Cl)CN1CCOCC1 72296061 ULFUVIWYDYPUOZ-OAHLLOKOSA-N 327.812 1.545 0 40 EDAB O=C(Nc1cccnc1)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 72286690 HZWODSNMRHNAQR-HNNXBMFYSA-N 342.374 1.944 0 40 EDAB Cc1cc(N2C[C@@H](C(=O)N[C@H](C)c3ncon3)CC2=O)ccc1F 97079752 AOHWPJRNFAAKGH-MNOVXSKESA-N 332.335 1.747 0 40 EDAB Cn1c(CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)nnc1C1CC1 97115054 IJPFJNGISLRCAQ-LJQANCHMSA-N 336.395 1.836 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCc3nccn3C2)cc1 97197717 PJDYMRHEDFMOAX-AWEZNQCLSA-N 333.413 1.173 0 40 EDAB COC(=O)C1(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 97145937 OXUVYCMEQYGQMJ-VMPITWQZSA-N 328.412 1.797 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 78912735 YQFAJELTEHPXBK-LBPRGKRZSA-N 330.837 1.410 0 40 EDAB C[C@@H](C(=O)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1)n1cncn1 78901693 WBZFFYTXWKAMJL-UWVGGRQHSA-N 342.325 1.987 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(CCO)CCN2CCOCC2)o1 84688890 QSSWRIRMDUOWQZ-LDHYMBSASA-N 348.443 1.569 0 40 EDAB CC[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCN1C[C@@H](C)O 84736475 HNDCOFDKMYNHPH-KGLIPLIRSA-N 330.432 1.200 0 40 EDAB CCCCNC(=O)C1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 84744525 OEXQGVBZHUMUST-MRXNPFEDSA-N 347.463 1.154 0 40 EDAB CCNC(=O)N1CC[C@H](NC(=O)NC[C@@H]2C[C@@H]2c2ccccc2)C1 84791036 AJBAZRPWHODWBG-HRCADAONSA-N 330.432 1.893 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)c2cn(Cc3cccnc3)nn2)C12CCC2 95403596 ZGJYSHHWJOPIMU-JKSUJKDBSA-N 341.415 1.799 0 40 EDAB NC(=O)c1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 95439011 RUJKBJXLCSEBDZ-INIZCTEOSA-N 326.396 1.584 0 40 EDAB O=C(NCCCN1CCOCC1)N1CCN(c2cccs2)CC1 95411030 YMNSNTAVUQZROK-UHFFFAOYSA-N 338.477 1.302 0 40 EDAB C[C@H]1c2cc(F)ccc2CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 73728136 KCDQAOWEERMHTG-DZGCQCFKSA-N 347.434 1.682 0 40 EDAB COC[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCO1 73973167 HZQOUEZZRWPPCL-GOSISDBHSA-N 347.459 1.073 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(Cc2ccc([S@@](C)=O)cc2)CC1 95982381 PMWJHZIMGGRJQR-SHACYNPGSA-N 349.500 1.209 0 40 EDAB CCc1c(C(=O)Cn2cnc(COC)cc2=O)[nH]c(C)c1C(C)=O 89279928 XDFTXKFFESENPT-UHFFFAOYSA-N 331.372 1.674 0 40 EDAB CNC(=O)NCC(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1 89570317 JFWFNMTVNQCHGL-LBPRGKRZSA-N 338.839 1.520 0 40 EDAB Cc1cc(C)c(CNC(=O)NCc2ccc(N(C)C)nc2)c(=O)[nH]1 75111125 VRFHVMVQHMIZDT-UHFFFAOYSA-N 329.404 1.452 0 40 EDAB Cc1ccc(Oc2cc(CNC(=O)[C@@H]3CNC(=O)N3)ccn2)cc1C 89643238 ALWGIEABJIRSKL-HNNXBMFYSA-N 340.383 1.788 0 40 EDAB C[C@@H](OC(=O)CN1CSCC1=O)C(=O)c1c[nH]c2ccccc12 21374420 RXNZSFVFKRRMOV-SNVBAGLBSA-N 332.381 1.815 0 40 EDAB NC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(Cl)cn2)CC1 1548385974 KUNULGREHMNANR-OCCSQVGLSA-N 337.807 1.478 0 40 EDAB Cc1cnn(C)c1S(=O)(=O)N[C@H](CC(=O)O)c1ccccc1F 551995538 SYOLDTXRKNFQFZ-GFCCVEGCSA-N 341.364 1.362 0 40 EDAB Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cn3ccnc3s2)cn1 545989650 BMZSQTBXVYUGPK-BGJPBQGDSA-N 349.441 1.075 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1Oc3ccccc3O[C@H]1C)C2 65478047 IZIMACOCVBLNSX-GDZNZVCISA-N 327.384 1.851 0 40 EDAB NC(=O)CN1CCC[C@H](NC(=O)c2ccccc2-n2cccc2)C1 1008397691 DUFFIQRWBZTCBJ-AWEZNQCLSA-N 326.400 1.157 0 40 EDAB CN(Cc1ccco1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 72237876 ORLQGGPFVRPZQW-DLBZAZTESA-N 328.368 1.837 0 40 EDAB CC(=O)NCC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 183488972 LFGOASWLXDDYPH-ZDUSSCGKSA-N 330.306 1.741 0 40 EDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(OCC(=O)NC2CC2)cc1 71284409 GZMNYLNKLUYGCE-GJZGRUSLSA-N 346.383 1.639 0 40 EDAB COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CCC(=O)N(C)C2)C1 121376524 AOOITOHYYXBAPQ-KBPBESRZSA-N 346.431 1.194 0 40 EDAB Cc1onc(N)c1S(=O)(=O)N(CCC(=O)O)Cc1ccccc1 566310235 GCYUTPWIYQUCAN-UHFFFAOYSA-N 339.373 1.231 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)C(F)(F)F)C[C@H]1C(=O)O 72233741 WQNJRJODEOWKBT-ZETCQYMHSA-N 326.271 1.081 0 40 EDAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CCOCCO)C1=O 78707740 JHTHPOWINMPCFM-GOSISDBHSA-N 328.368 1.616 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)NC(C)(C)C1=O 44869179 VWFXYGLPUWEUDL-UHFFFAOYSA-N 335.379 1.895 0 40 EDAB COc1nn(C)cc1C(=O)NCC1CCN(C(=O)c2ccoc2)CC1 75156957 JLRIWGGENBWOEN-UHFFFAOYSA-N 346.387 1.304 0 40 EDAB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ccccn2)C1 225504431 UPDZFUYVZBXYPH-ZDUSSCGKSA-N 327.388 1.621 0 40 EDAB COc1cncc(O[C@@H]2CCN(C(=O)COc3ccccc3C)C2)n1 225393055 AWABFAZWDHHFMS-CQSZACIVSA-N 343.383 1.852 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NC3CC3)C[C@H]3OCC[C@H]32)cc1 96057663 YNAOGENVQVRBDC-BMGDILEWSA-N 330.428 1.953 0 40 EDAB CCS(=O)(=O)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 96049390 GCWPPQQBZFLNAW-UHFFFAOYSA-N 337.445 1.388 0 40 EDAB CCN1CCN(c2ccccc2CN2CC[C@H](C(=O)OC)C2)CC1 96489896 AJLMKLDNDDMJCJ-KRWDZBQOSA-N 331.460 1.823 0 40 EDAB c1ccc(OC[C@H]2CN(C3CCOCC3)Cc3cncn3C2)nc1 96218572 OZZFQBOLWQGNTG-HNNXBMFYSA-N 328.416 1.968 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2c(Cl)cccc2OC)C1 97235528 HFFMJAJHWUGAPE-NSHDSACASA-N 332.853 1.862 0 40 EDAB CN(C)C(=O)COC[C@H]1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 96082767 HXXNFEDRLIVRIE-IKGGRYGDSA-N 333.432 1.166 0 40 EDAB CC(C)C(=O)N[C@H]1COCCC12CCN(Cc1cnn(C)c1)CC2 96215360 GLBQQOWTZGASPF-INIZCTEOSA-N 334.464 1.563 0 40 EDAB O=C1CCCN1C[C@@H]1CN(CC2CCOCC2)Cc2nccn2C1 96188467 MWQFVQGOHZVOPI-MRXNPFEDSA-N 332.448 1.364 0 40 EDAB O=C(c1c(F)cccc1F)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238821949 CVXMGKKCHMGWAC-TXEJJXNPSA-N 346.333 1.740 0 40 EDAB COCC(=O)N1CC[C@@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244375 YLOPRKXYLNIPLL-IBGZPJMESA-N 339.395 1.790 0 40 EDAB COC(=O)[C@@H](C)NC(=O)Cc1cccc(I)c1 96473909 LYTSIRLJXJAOAK-MRVPVSSYSA-N 347.152 1.511 0 40 EDAB CCN1C[C@@H]2CN(C(=O)Cc3ccccc3)CCC[C@]2(C(=O)O)C1 96185156 WFIJGBGVZBBRSQ-APWZRJJASA-N 330.428 1.874 0 40 EDAB O=C(NCc1ccccc1)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCCC2)C1 96253185 WPVYCXVELXCRPH-IXDOHACOSA-N 343.427 1.608 0 40 EDAB CCN1CCO[C@@H]2CN(S(=O)(=O)c3cccs3)CC[C@@H]2C1 96249567 LYRWMMSWWVQLKK-CHWSQXEVSA-N 330.475 1.479 0 40 EDAB O=S(=O)(c1cccc2ccccc12)N1CC[C@@](O)(c2cnn[nH]2)C1 583616288 CDDLMIDWYVLZOM-INIZCTEOSA-N 344.396 1.240 0 40 EDAB Cn1ccc(C(=O)N2CC[C@@H](Oc3ccccn3)[C@H]3OCC[C@@H]32)n1 96215470 LADURQYKGATDTA-LZWOXQAQSA-N 328.372 1.266 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1 257204795 AWHSONZRUGAJIF-CQSZACIVSA-N 334.420 1.031 0 40 EDAB CCn1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)cn1 257209995 BSRWQYIUOQIEJW-SFHVURJKSA-N 343.431 1.402 0 40 EDAB COc1ccccc1[C@H]1CN(S(=O)(=O)C(C)C)CCN1C(C)=O 257227332 FOUHYTSFGQAVLM-OAHLLOKOSA-N 340.445 1.639 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)Cc1cccnc1 257251079 JPHWAYXQIKMHAT-INIZCTEOSA-N 326.400 1.583 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)NCc1cc(Br)no1 585087618 VPJIZQVUFCVQKC-JTQLQIEISA-N 344.209 1.844 0 40 EDAB COCC(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257214641 CMSOMLIRIKDIQF-UHFFFAOYSA-N 328.376 1.363 0 40 EDAB CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCc1ccco1 585121823 BGIOZJALPHGMCA-CQSZACIVSA-N 337.420 1.489 0 40 EDAB C[C@@H]1C[C@H]1c1noc(CC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)n1 585121508 RGNKBFYGTXNLBN-KWCYVHTRSA-N 346.431 1.500 0 40 EDAB CO[C@@H]1CCC[C@H]1S(=O)(=O)NCc1noc(-c2cccs2)n1 585115762 RDSHDGDGHHMTGP-MWLCHTKSSA-N 343.430 1.785 0 40 EDAB COc1ccc(CC(=O)N2C[C@@H](C(=O)O)CC[C@H]2C(=O)O)cc1F 585134065 CEVPYOMAMWVEEN-JQWIXIFHSA-N 339.319 1.153 0 40 EDAB O=C(OC[C@H]1CCCO1)N(CCN1CCOCC1)[C@H]1CCSC1 585115166 OYWAWBPRPKWWEP-LSDHHAIUSA-N 344.477 1.442 0 40 EDAB Cc1noc(C)c1C[C@H](C)NS(=O)(=O)CCO[C@@H]1CC1(F)F 585115555 GRTPDDWNWGDTHL-QPUJVOFHSA-N 338.376 1.566 0 40 EDAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)Cn1cccn1 257339488 ZBYUIPXLPHVFCR-RWQQGDIJSA-N 348.491 1.746 0 40 EDAB O=C(Cc1ccsc1)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 257319254 VRNSEVMLFJCYLF-KRWDZBQOSA-N 349.431 1.972 0 40 EDAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2cnn(C)c2)nc1 257288343 PTVQIYRBEVJELY-INIZCTEOSA-N 327.388 1.429 0 40 EDAB O=C(O)c1cc(-c2cc(CC[C@H]3CNCCO3)ncn2)ccc1O 257245115 IOCRJUBRDFCFNC-ZDUSSCGKSA-N 329.356 1.468 0 40 EDAB Cc1cnc(C(=O)N2CCCC[C@H]2c2cc(O)n3ccnc3n2)cn1 257322599 WGQGHYIGUMDORH-AWEZNQCLSA-N 338.371 1.901 0 40 EDAB COc1ccc(C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1OC 253394142 AKUMWCVLAGLRDM-UHFFFAOYSA-N 348.355 1.287 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CN2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 257211471 BYZMWLVFTOANMJ-WMZOPIPTSA-N 347.415 1.199 0 40 EDAB Cc1oc(C(=O)NC(C)(C)[C@H](O)C(F)(F)F)cc1S(C)(=O)=O 1615550041 UVDUBRVLDSRFTO-JTQLQIEISA-N 343.323 1.423 0 40 EDAB CN1C(=O)CC[C@H]1CC(=O)NCCC1CCN(c2ccncc2)CC1 1615557464 JKMULKSLSLFJKF-KRWDZBQOSA-N 344.459 1.815 0 40 EDAB C[C@@H](Oc1ccccc1F)C(=O)NCCn1nc2c(cc1=O)CCC2 575605820 AHOUSHNIZOXRMG-GFCCVEGCSA-N 345.374 1.455 0 40 EDAB CNc1ncc(CN2CC[C@H](Cc3ccc(F)cc3)[C@@H](O)C2)cn1 585280082 YAIUFJANURMXPF-WBVHZDCISA-N 330.407 2.083 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)Cc3c(C)n[nH]c3C)C2)c1 585272284 MRWJJNGFWMGXJE-LJQANCHMSA-N 343.427 1.920 0 40 EDAB O=C(C[C@@H]1CN(c2ncccn2)Cc2cccn2C1)N1CCCO1 585099145 PUVOMBVJPYJDJD-AWEZNQCLSA-N 327.388 1.469 0 40 EDAB CO[C@@H]1CN(C(=O)c2ccnnc2)C[C@]12C[C@@H](c1ccccc1)CO2 585287746 DLSHGCDBSOEXQP-ZHALLVOQSA-N 339.395 1.890 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)c3cccnn3)CCO2)c1 585276391 NYZDTOULTONXHF-SFHVURJKSA-N 327.384 1.231 0 40 EDAB Cc1occc1C(=O)NCC(=O)N1CCN2CCOc3cccc1c32 678433606 UJCXBWRMZLBFGQ-UHFFFAOYSA-N 341.367 1.563 0 40 EDAB O=C(Cc1cccs1)NS(=O)(=O)c1ccc2c(c1)OCCO2 42268045 OMAXBGJXPGSEHN-UHFFFAOYSA-N 339.394 1.567 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O 55453257 WFVJIYQFXMFHSE-HOCLYGCPSA-N 343.427 1.657 0 40 EDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)nn2C)c1 56081010 ORHIUSAEYYMNGP-UHFFFAOYSA-N 342.808 1.542 0 40 EDAB CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Cn1cncn1 69351632 MQJBSVADMOQCNR-UHFFFAOYSA-N 342.378 1.899 0 40 EDAB C[C@@H](C(=O)NC1CCCC1)N1CCN(c2cncc(Cl)n2)CC1 69625760 ARNJEAYNZWFTGN-LBPRGKRZSA-N 337.855 1.699 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 69628090 XADQPKKUGHMKCP-HZPDHXFCSA-N 337.439 1.377 0 40 EDAB Cc1ccc([C@H](C)NC(=O)CN2CCO[C@H](CN(C)C)C2)cc1C 69972612 OEONNMTWTYKWAZ-FUHWJXTLSA-N 333.476 1.743 0 40 EDAB CCCCNC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(CO)CC1 70039683 QELREUWCIDMPDD-HNNXBMFYSA-N 327.469 1.731 0 40 EDAB CN(C)[C@H](C(=O)N[C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1 83021601 VUERGEPXMHMVGV-IRXDYDNUSA-N 345.443 1.185 0 40 EDAB CC[C@H]1CN(c2nnnn2Cc2cccc(C(N)=O)c2)C[C@H](CC)O1 1616034084 WAVIXXNSGMBEFC-GJZGRUSLSA-N 344.419 1.214 0 40 EDAB CSCc1ccc(NC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1 1616035097 QQYIRRJVEULWRT-MRXNPFEDSA-N 348.428 1.756 0 40 EDAB CC(C)NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 12085655 ACVNWBRWCZIUKQ-SFHVURJKSA-N 345.399 1.042 0 40 EDAB NC(=O)c1nc(-c2ccccc2)nc2c1[nH]c(=O)n2C[C@@H]1CCCO1 12145909 VCOUMQYBJSGDSD-NSHDSACASA-N 339.355 1.065 0 40 EDAB COc1ccc(C(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)cc1 12223614 UBEPIAPOPMPWIE-UHFFFAOYSA-N 342.399 1.765 0 40 EDAB Cc1oc(CO)cc1C(=O)OCCN1C(=O)c2ccccc2C1=O 12616886 PJSASQOZPMUFIH-UHFFFAOYSA-N 329.308 1.533 0 40 EDAB Cn1nnc2c(N3CCN(C(=O)Nc4ccccc4)CC3)ncnc21 13534649 UQJKCPWRWBBSFG-UHFFFAOYSA-N 338.375 1.112 0 40 EDAB O=c1nc(C(F)(F)F)c(-c2nnnn2-c2ccc(F)cc2)c[nH]1 16429819 NVCVPCQFBGENJX-UHFFFAOYSA-N 326.213 1.571 0 40 EDAB CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)n[nH]1 19451897 XLWQDFFUVNSHGK-AWEZNQCLSA-N 340.431 1.946 0 40 EDAB O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1cn(Cc2cccs2)nn1 516546170 VMZQCRZULPNNQP-YPMHNXCESA-N 345.428 1.271 0 40 EDAB O=C(Cn1cncn1)NC[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 643585200 RHFCIVFFQCXSRL-SRCQZFHVSA-N 348.378 1.142 0 40 EDAB CCC(CC)n1ncc(C(=O)N[C@@H](CO)Cc2cnn(C)c2)c1C 585088096 JVXNGNIHAZCNRL-CQSZACIVSA-N 333.436 1.620 0 40 EDAB Fc1cccc(-c2ccc(N3CCN(Cc4ncon4)CC3)nn2)c1 1888888025 CGHLYDWVCYTBBY-UHFFFAOYSA-N 340.362 1.988 0 40 EDAB Cc1ccc(C[C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)cn1 1848355430 KDUWHFLLAIJIEN-SFHVURJKSA-N 331.460 1.893 0 40 EDAB Cc1nc(C)c(CC(=O)Nc2nc3c(s2)CN(C)CC3)c(=O)[nH]1 31214787 JMWQBJUYWPSPAU-UHFFFAOYSA-N 333.417 1.012 0 40 EDAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CC[C@H](c2ncon2)C1 238968285 ZEAAPVLSFSNBPH-LBPRGKRZSA-N 345.384 1.434 0 40 EDAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCOC)ccc2c1=O 3906562 JAHDWUAQDNRDHX-UHFFFAOYSA-N 347.415 1.646 0 40 EDAB CNC(=O)c1sc(NS(=O)(=O)c2ccc(OC)cc2)nc1C 8979004 PNTLBADXCHUCMO-UHFFFAOYSA-N 341.414 1.621 0 40 EDAB CCOCC(=O)Nc1ccc(-c2ccc(S(C)(=O)=O)nn2)cc1 9786988 VMDGHHANGGKHBY-UHFFFAOYSA-N 335.385 1.522 0 40 EDAB COc1ccc(-c2cc(=O)n(CC(=O)Nc3ccccn3)cn2)cc1 13807240 GSNIUZSADSCALL-UHFFFAOYSA-N 336.351 1.953 0 40 EDAB CN(C)Cc1noc2c1C[C@H](NC(=O)COc1ccccc1)CC2 2055734536 HDSMEJVSNFURGX-CYBMUJFWSA-N 329.400 1.789 0 40 EDAB C/C=C\C(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134303 UDUGFLYLDKTRJS-IHWYPQMZSA-N 346.822 1.536 0 40 EDAB CCOC(=O)c1cnn(CCN2C(=O)c3ccccc3C2=O)c1C 36657709 CPNIIHDPRDAVRX-UHFFFAOYSA-N 327.340 1.664 0 40 EDAB C[C@H](Oc1ccccc1F)C(=O)NCc1cn(-c2cccnc2)nn1 575414318 AWQTWGAUIVYWEX-LBPRGKRZSA-N 341.346 1.885 0 40 EDAB COc1ccccc1OCC(=O)NCCn1nc(C2CC2)ccc1=O 585149951 MHASXSDXEURKTF-UHFFFAOYSA-N 343.383 1.325 0 40 EDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3c(C)noc3C)C2)n(C)n1 2332241562 HJPFYHMJMHEXAY-YNEHKIRRSA-N 333.392 1.155 0 40 EDAB Nc1nccnc1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 32911979 PIOPIKRSUWRGNK-UHFFFAOYSA-N 340.309 1.705 0 40 EDAB CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)C(=O)O 248255653 ODAIHABQVKJNIY-RGDJUOJXSA-N 340.420 1.462 0 40 EDAB Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)n1 152402062 DSCYUMBOJISZPJ-HNNXBMFYSA-N 332.404 1.554 0 40 EDAB CCCCC[C@H](C)NC(=O)CS(=O)(=O)Cc1nnnn1C1CC1 40106228 LFSDJRBWEHTNPY-NSHDSACASA-N 343.453 1.008 0 40 EDAB C/C(NCCCN(C)C)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 20292253 PAGIXXBVAKNBOG-FYWRMAATSA-N 344.415 1.080 0 40 EDAB COc1cc(OC)c2[nH]c(C(=O)NCCCN3CCCC3=O)cc2c1 40511892 CLANYQRICKNPEM-UHFFFAOYSA-N 345.399 1.927 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCN(Cc2ccccn2)CC1 40511330 GYQVLIOGIZZZTC-UHFFFAOYSA-N 326.466 1.176 0 40 EDAB O=C(Cc1ccccc1)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 559961 FNUQHRXYOJCWGM-UHFFFAOYSA-N 326.381 1.912 0 40 EDAB CCc1nc2n(n1)C[C@H](NCCCS(=O)(=O)c1ccccc1)CC2 69661403 FKNINVCBURGLHP-CQSZACIVSA-N 348.472 1.609 0 40 EDAB Cc1cnn([C@H](C)[C@H](C)NCC(=O)/N=c2\cc[nH]n2[C@@H](C)C2CC2)c1 100989645 CLWPJUDYZOXLSL-TUZIICSASA-N 344.463 1.959 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1C 11566103 DEUUXQZFAMZEOM-UHFFFAOYSA-N 326.418 1.247 0 40 EDAB CNC(=O)C(=O)NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 8188360 KBUXKJULQLHVFI-SSDOTTSWSA-N 332.187 1.033 0 40 EDAB CCCc1noc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)n1 29321644 WGMWCCNOYCMPAZ-QGZVFWFLSA-N 342.355 1.752 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3cccs3)N[C@@](CC)(C(=O)OC)[C@@H]2C1=O 4884739 GZXCRRNMERKSMR-CENBSLRLSA-N 336.413 1.335 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)cs1 6681521 PTSWPXZYKRZHFV-UHFFFAOYSA-N 326.399 1.917 0 40 EDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1n[nH]c2ccccc12 46050195 AQIJMPJQWQIOLY-CZUORRHYSA-N 344.415 1.030 0 40 EDAB O=S(=O)(NCCCOC[C@H]1CCCO1)c1ccc(F)cc1F 21699708 MWJAPCJSPUGWFL-GFCCVEGCSA-N 335.372 1.829 0 40 EDAB NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1cnn(-c2ccccc2)c1 32907242 DNJJEUBDOOOXBU-GOSISDBHSA-N 347.378 1.606 0 40 EDAB COC[C@H](C)NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 8558775 GIJXTOFEKSGBFI-AWEZNQCLSA-N 342.461 1.692 0 40 EDAB Cc1cc(=O)c(C(=O)NC[C@H]2CCOC2)nn1-c1ccccc1F 41372388 ZDKJJJXZPYRVDZ-GFCCVEGCSA-N 331.347 1.446 0 40 EDAB O=C1C[C@@H](n2nnn(-c3cccc(Cl)c3)c2=S)[C@H]2CO[C@H]1O2 103003858 RGTCKGUCBKGBRY-JLLWLGSASA-N 338.776 1.707 0 40 EDAB CCOC1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)OC)CC1 60447195 MKVYXEWJXMKBJX-UHFFFAOYSA-N 342.417 1.126 0 40 EDAB C[C@@H]1CN(C(=O)c2nc(N3CCOCC3)ncc2Cl)C[C@@H](C)O1 42127430 SMSFHNLVVGMRSP-GHMZBOCLSA-N 340.811 1.216 0 40 EDAB NC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCOCC3)nc2)c1 22995154 YNIKRHITFGPGJA-UHFFFAOYSA-N 341.371 1.661 0 40 EDAB COCCNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 113967519 NDMMROPVSFCACY-UHFFFAOYSA-N 328.434 1.304 0 40 EDAB C[C@@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2)CC1)C1CC1 24248855 VBVSLIZTWRWVBG-OAHLLOKOSA-N 344.459 1.157 0 40 EDAB COC(=O)CCNC(=O)CCc1ccc(OC)c(OC)c1OC 54957899 NLTVLNPOINKVBB-UHFFFAOYSA-N 325.361 1.324 0 40 EDAB CC(C)CN1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 43008505 SVWMTMNRJKAEBJ-UHFFFAOYSA-N 328.416 1.197 0 40 EDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H]1C[C@@H]2CC[C@H]1C2 101282964 BCBJZCOPAMTHRP-MDZLAQPJSA-N 334.397 1.136 0 40 EDAB CCN(c1cccc(F)c1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 55663136 PRQUXMRZVJGIHR-UHFFFAOYSA-N 325.365 1.478 0 40 EDAB C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc2ccccc2c1O 106922057 GNVHVUXANXZLML-AWEZNQCLSA-N 327.428 1.911 0 40 EDAB NC(=O)COC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 12426629 ZKPBOGUCVPDBSL-VIFPVBQESA-N 348.302 1.537 0 40 EDAB O=C(NC1CC1)C1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1 56006223 HMQCOHZUVRGXHE-KRWDZBQOSA-N 341.411 1.697 0 40 EDAB CCCn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O 3015698 COOKDLRYNWXBHR-UHFFFAOYSA-N 343.362 1.598 0 40 EDAB CCn1c(=O)c2c(nc3n2CCN3c2cc(C)cc(C)c2)n(C)c1=O 3015963 ICIKIFRWZKPOER-UHFFFAOYSA-N 339.399 1.685 0 40 EDAB CC(C)NC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(F)cc2)CC1 61717646 LXRILKGKKRSXSW-ZDUSSCGKSA-N 336.411 1.570 0 40 EDAB O=C(O)CCCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 61720523 PVEVBMLTNNHNOI-UHFFFAOYSA-N 349.774 1.545 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)Cn1c(=O)n(C)c2ccccc21 47643581 LCTHFCOPVFKTLW-UHFFFAOYSA-N 328.372 1.603 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1Cc1nccn1CC(F)(F)F 57743153 XNUXTISWGYVVIL-UHFFFAOYSA-N 345.302 1.790 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)c1nc2nc(C)cc(C)n2n1 44700890 LUFMUWKQXYJTIU-UHFFFAOYSA-N 340.343 1.101 0 40 EDAB C[C@H]1Cc2cc(C(=O)Nc3ccc[nH]c3=O)ccc2N1S(C)(=O)=O 58157299 XJDILKMCPBWYQG-JTQLQIEISA-N 347.396 1.338 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)c1 44812354 YMUVVBJHMWANHD-QGZVFWFLSA-N 343.471 1.930 0 40 EDAB Cc1nccn1-c1ccc(NC(=O)c2ccccc2-n2cnnn2)cn1 44944458 BHVOLTMXLXFZLL-UHFFFAOYSA-N 346.354 1.804 0 40 EDAB CN(CC(=O)NCCc1c(F)cccc1F)c1ncnc2[nH]cnc12 58489510 OEYXCHLDEBSNOZ-UHFFFAOYSA-N 346.341 1.426 0 40 EDAB O=C(Cc1coc(-c2ccccc2)n1)NC[C@H]1CN2CCC[C@@H]2CO1 58403801 KWOWXBFFNBMYFY-SJORKVTESA-N 341.411 1.864 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)s1 28327505 TTWOFIMPHJLJOB-BXKDBHETSA-N 332.447 1.230 0 40 EDAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12688007 GIYFURCHCUFWSD-OQHXTRMZSA-N 337.397 1.636 0 40 EDAB CCc1ccc(-c2nnn(Cn3nnc4ccccc4c3=O)n2)cc1 8252668 ZSFJOPZHLSTMGW-UHFFFAOYSA-N 333.355 1.513 0 40 EDAB C[C@H](CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)c1ccccc1 48251853 XKNUCDNGXPUUIK-HIFRSBDPSA-N 339.461 1.340 0 40 EDAB Cc1cccc(OCCn2cc(S(=O)(=O)N(C)C)ccc2=O)c1 12820255 YBGQCBGFXZQTTL-UHFFFAOYSA-N 336.413 1.486 0 40 EDAB CCCNC(=O)[C@H](C)N(C)CCCCN(C)[C@H](C)C(=O)NCCC 70038441 YJRZDUBUQGKRGZ-IYBDPMFKSA-N 342.528 1.460 0 40 EDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCCC1=CCCCC1 3544114 MVPVORVLMVKVKO-UHFFFAOYSA-N 347.415 1.727 0 40 EDAB CCc1c(C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)csc1C 13132663 UMYTWNNDLRIQMO-RNJOBUHISA-N 334.397 1.426 0 40 EDAB CC(C)N1C[C@@H](C(=O)NC(C)(C)c2noc(C(C)(C)C)n2)CC1=O 63957715 MRHJFBJAKHWRJX-NSHDSACASA-N 336.436 1.975 0 40 EDAB CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccnn1C(C)C)CC2 69843139 BFJSUHKOCLHHNU-QWHCGFSZSA-N 345.451 1.550 0 40 EDAB CC(C)CCn1c(N2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 4225951 OICXPTLZOSEFAO-STQMWFEESA-N 347.463 1.952 0 40 EDAB Cc1cnn(C[C@@H](C)NCc2nnnn2-c2c(C)cccc2C)c1 69582901 VOYCDRFINIMEPU-OAHLLOKOSA-N 325.420 1.962 0 40 EDAB CC(C)n1cc(CN2CCCN(C(=O)[C@@H](C)n3cccn3)CC2)cn1 69568507 KJTWGUMYHOXLHD-MRXNPFEDSA-N 344.463 1.956 0 40 EDAB O=C(N[C@H]1CCCc2c1cnn2CCO)N(C[C@H]1CCOC1)C1CC1 65428973 DSWNNWBTSBSRMH-CJNGLKHVSA-N 348.447 1.463 0 40 EDAB COC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 65517558 JMCCSRKIWYFKSU-BXUZGUMPSA-N 334.347 1.343 0 40 EDAB CN(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 65533268 BOWGJVIUVHSJJG-GFCCVEGCSA-N 344.864 1.910 0 40 EDAB CC(=O)N[C@H](CC(=O)N[C@@H]1CCc2nnc(C)n2C1)c1cccs1 65530303 BZCPMBMMVMVUQW-CHWSQXEVSA-N 347.444 1.347 0 40 EDAB O=C1NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 83327166 IBJLHXSMGYPHOL-YRNVUSSQSA-N 343.251 1.347 0 40 EDAB COc1ccnc(N2CCN(C(=O)CCCc3ccccn3)CC2)n1 65609724 QQTLNXXQENEONM-UHFFFAOYSA-N 341.415 1.552 0 40 EDAB Cc1nn2c(=O)cc(Cn3c(-c4ccccc4)noc3=O)nc2s1 65723522 YTWBVTQYDMFRON-UHFFFAOYSA-N 341.352 1.324 0 40 EDAB Cc1ccccc1C(=O)NC1CCN(C[C@@H](O)Cn2cccn2)CC1 69970518 KMWJKJZJVVQGTN-QGZVFWFLSA-N 342.443 1.447 0 40 EDAB COc1ccc(-c2n[nH]c(S[C@H](C(=O)NC(N)=O)C(C)C)n2)cc1 6581823 ACOPQWLURHLDRC-NSHDSACASA-N 349.416 1.792 0 40 EDAB CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)NC(C)(C)C)n1 6503737 RAYAXVUJRPXBMV-UHFFFAOYSA-N 326.422 1.439 0 40 EDAB O=C(NC[C@@H]1CCCO1)N[C@H]1CCCN(c2cccc(F)c2)C1=O 69976810 UIDUAQBHYXUTBA-GJZGRUSLSA-N 335.379 1.799 0 40 EDAB COc1ccc2c(C)c(CC(=O)N[C@@H](C)CO)c(=O)oc2c1OC 6624653 OCOLPOOAVQOBDL-VIFPVBQESA-N 335.356 1.158 0 40 EDAB biogenic O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cnccn1 5635936 CXZGZEVVWBYDOC-UHFFFAOYSA-N 346.412 1.904 0 40 EDAB COc1ccc2[nH]cc(CCN3C(=O)N[C@@H](CCC(=O)O)C3=O)c2c1 8765233 XQJOSFMJFDVWFF-AWEZNQCLSA-N 345.355 1.504 0 40 EDAB biogenic CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 9048336 ULHFWSALQZWZKQ-NSHDSACASA-N 334.344 1.651 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCC[C@H](C2OCCO2)C1 71184971 BLPCBKJGPPQXRH-HNNXBMFYSA-N 337.441 1.949 0 40 EDAB O=C(N[C@@H]1CCc2nnc(-c3ccccc3)n2C1)N1CCOCC1 96000665 ZKLDSIFRGOIAEI-CQSZACIVSA-N 327.388 1.302 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1cc2ccccc2oc1=O 16491303 BPHKXRFLNHNKQL-UHFFFAOYSA-N 334.335 1.808 0 40 EDAB CCS(=O)(=O)NCCNC(=O)N(C)Cc1ccc(OC)c(C)c1 71799628 ACXNPRAGXNPHAK-UHFFFAOYSA-N 343.449 1.084 0 40 EDAB Cc1cccc(C(=O)NCCS(=O)(=O)N2CCSCC2)c1 71884346 MZEVAAWHRBHJHK-UHFFFAOYSA-N 328.459 1.103 0 40 EDAB Cc1ccc(CCNC(=O)NCc2ccc(S(C)(=O)=O)cc2)cn1 71897599 TUQDGWHEJYPLHA-UHFFFAOYSA-N 347.440 1.835 0 40 EDAB CON(C)C[C@H](O)Cn1cc(Nc2cc(C)nc(C(C)(C)C)n2)cn1 71915180 UNKQYSFBYSTREA-AWEZNQCLSA-N 348.451 1.877 0 40 EDAB Cn1cc(CNC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2=O)cn1 71909553 PBVLIPFSGAYUGC-OAHLLOKOSA-N 345.378 1.554 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN1CCC[C@@H]1CC(=O)c1ccco1 84199355 IUFCSIYAFJHJGN-GFCCVEGCSA-N 335.404 1.941 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)Nc1ccc(-c2nc[nH]n2)cc1 72277614 WHBNYWFZISXMGM-UHFFFAOYSA-N 334.401 1.768 0 40 EDAB Cc1nc(C(C)(C)C)sc1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O 72290649 KYGXOZHFPVLVIU-OAHLLOKOSA-N 336.417 1.173 0 40 EDAB CCc1ccc(N2C[C@H](C(=O)NC[C@]3(O)CCSC3)CC2=O)cc1 72310448 SOVROQOVUQWJIQ-RDTXWAMCSA-N 348.468 1.586 0 40 EDAB CCOC(=O)c1cc(F)c(F)cc1NCC(=O)N1CCOCC1 76040179 DKKKCMPCGYBEEC-UHFFFAOYSA-N 328.315 1.412 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(CCc2ccncc2)C1 84304193 HXEFNFOORYHVLB-QGZVFWFLSA-N 340.475 1.836 0 40 EDAB CCn1cc(C(=O)N[C@H](C)C(=O)NC)c(=O)c2cc(Cl)ccc21 97376049 QRCLAJXZXASXBS-SECBINFHSA-N 335.791 1.539 0 40 EDAB CCCC(=O)N1CCC(C(=O)N[C@H](CC)[C@H](O)C(F)(F)F)CC1 95451859 CMFBBYVTVGTEMS-YPMHNXCESA-N 338.370 1.843 0 40 EDAB CCc1oc(C(=O)OC)cc1S(=O)(=O)N(C)Cc1cc(C)on1 95466050 OEGZIYKQZSDOEC-UHFFFAOYSA-N 342.373 1.746 0 40 EDAB CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@@H]1CO 95432941 VOAXIQRDNZVDHG-SNVBAGLBSA-N 336.816 1.612 0 40 EDAB COCc1ccc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)o1 98050934 TWCFKMSEWOILRL-UHFFFAOYSA-N 335.448 1.526 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCN([C@@H]2CCC[C@H]2O)CC1 78788851 URQIZTVTUCZKMQ-HUUCEWRRSA-N 332.400 1.129 0 40 EDAB CC(C)c1cc(N2CC(n3cc(C(N)=O)nn3)C2)nc(C(C)C)n1 95999402 IGFFQURAWCHDAN-UHFFFAOYSA-N 329.408 1.475 0 40 EDAB Cc1cc(NC(=O)Cn2cc(CCO)c(C(F)(F)F)n2)n(C)n1 95994845 NTANXDGXCRVCMQ-UHFFFAOYSA-N 331.298 1.117 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@@H](C)C1CC1 75123073 RATWSIDEPKEKMJ-LLVKDONJSA-N 326.400 1.845 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)CCNc2ncccn2)n1 75129866 TUHREGNDKZDDGC-HNNXBMFYSA-N 328.420 1.783 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209398 ZHOYIKNDGNRCJS-OCCSQVGLSA-N 338.429 1.589 0 40 EDAB CC(C)(C)n1ccnc1SCC(=O)N1CCc2c(O)ncnc2C1 515404757 YIZZPCRDEFZSOS-UHFFFAOYSA-N 347.444 1.811 0 40 EDAB COC(=O)c1nc(NC(=O)CCn2cnnn2)sc1CC(C)C 524735092 UQYPHNPRUHSOFV-UHFFFAOYSA-N 338.393 1.144 0 40 EDAB CC1=NNC(=O)[C@@H]1CCNC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 528551671 ONKFQJITTNPJJR-CHWSQXEVSA-N 337.326 1.715 0 40 EDAB CC[C@@H](CO)N(C(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 217371845 ZLIYXNTWWXQDLL-KBPBESRZSA-N 345.848 1.740 0 40 EDAB COCCn1cc(C(=O)NCCn2cccc2)c2ccccc2c1=O 72402441 CJJDHVLLCZRRLJ-UHFFFAOYSA-N 339.395 1.879 0 40 EDAB Cc1cccc(N2CCN(CC(=O)NC[C@@H]3CCCO3)[C@H](C)C2)n1 79355242 IZPUXEPOFCSHTE-CVEARBPZSA-N 332.448 1.196 0 40 EDAB CC(C)N(C)c1cccc(NC(=O)NC[C@@H]2CN(C)CCN2C)c1 77475932 SGXKFJODLRAYOO-QGZVFWFLSA-N 333.480 1.899 0 40 EDAB O=C(NCCCc1cccc(F)c1)NC[C@@H]1CN2CCC[C@@H]2CO1 78772955 BTZYQEPSXOUBHI-IAGOWNOFSA-N 335.423 1.921 0 40 EDAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 218524637 GPAMHLUBMHNDQF-RCCFBDPRSA-N 330.453 1.899 0 40 EDAB O=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)NCCO)c1 217457433 QRFHYWUJPHQCEK-UHFFFAOYSA-N 328.390 1.010 0 40 EDAB CS(=O)(=O)c1ccc(N2CCC[C@@H]2C(=O)NCc2ccco2)cc1 134900483 MUAQGPSQBQQAJR-MRXNPFEDSA-N 348.424 1.968 0 40 EDAB Cc1csc(=O)n1CC(=O)N1CCCN(Cc2ccccc2)CC1 40017423 NWNYZQZAALLBQP-UHFFFAOYSA-N 345.468 1.953 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1Cl 226750732 KOJANPBSZZIZQF-UHFFFAOYSA-N 348.852 1.884 0 40 EDAB C[C@H]1CCn2ncc(C(=O)NCCOc3ccc(C(=O)O)cc3)c2C1 522061174 WUGOZGQHFDCUBZ-LBPRGKRZSA-N 343.383 1.972 0 40 EDAB Cc1nn(C)cc1CNC(=O)[C@H](C)Oc1nn(C)c2ccccc12 226755286 QOCXDUSRPMYJET-LBPRGKRZSA-N 327.388 1.699 0 40 EDAB COc1ccccc1CNC(=O)c1cc(NC(=O)C(C)C)n(C)n1 46089067 JQTKUMKJXGJEAU-UHFFFAOYSA-N 330.388 1.953 0 40 EDAB COCCNC(=S)Nc1nc(OC)cc(N2CCCC[C@@H]2C)n1 225897065 FGBAVFODMYFQOP-NSHDSACASA-N 339.465 1.797 0 40 EDAB Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2ccc3nnc(C)n3c2)n1 572505658 WGRLOWRESPGBTE-OTYXRUKQSA-N 342.359 1.331 0 40 EDAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCN(C)CC1 44883455 VEQHBYOLIKQWLU-CQSZACIVSA-N 339.867 1.861 0 40 EDAB CCc1oc(C(=O)N2CCC[C@H](N(C)S(C)(=O)=O)C2)cc1C 195539698 NPGKCZQGAAXCSM-LBPRGKRZSA-N 328.434 1.646 0 40 EDAB Cn1cnc2c1[C@H](COCC1CCOCC1)CN(C1CCOCC1)C2 96045002 HJFNKYMNASTXAE-INIZCTEOSA-N 349.475 1.942 0 40 EDAB Cc1ccc(CN2Cc3ccnn3C[C@@H](COCC(=O)N(C)C)C2)o1 96189067 OLVJXTGMSASQLQ-HNNXBMFYSA-N 346.431 1.521 0 40 EDAB Cn1nccc1C(=O)NCCC(=O)N[C@@H]1CCCc2ccccc21 96192398 RODMVLJBZKRYAN-OAHLLOKOSA-N 326.400 1.734 0 40 EDAB Cc1ccc(NC(=O)C2CN(c3ncnc4c3nnn4C)C2)cc1F 96096751 JPNYYTRUVSJSJP-UHFFFAOYSA-N 341.350 1.281 0 40 EDAB Cn1nc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)ccc1=O 96460242 GUWTXENQUYEJQI-HNNXBMFYSA-N 327.384 1.254 0 40 EDAB Cc1cnc(C(=O)N2Cc3cncn3C[C@@H](COCC3CC3)C2)cn1 96207831 ZPQLKERRTXHYIO-HNNXBMFYSA-N 341.415 1.680 0 40 EDAB O=C(NCCNc1ccccn1)[C@H]1CN(Cc2ccccc2)CCO1 96421661 VLNNJPZMKMIHBV-QGZVFWFLSA-N 340.427 1.511 0 40 EDAB Cc1cc(C(=O)NCC(=O)Nc2cnn(CC(F)F)c2)c(C)o1 96421726 HYHLFMDMABFUPV-UHFFFAOYSA-N 326.303 1.727 0 40 EDAB CC[C@]1(C(=O)OC)N[C@@H](c2cccc(F)c2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 96295836 MNQANYLTQZFWNZ-LKQDWFRTSA-N 334.347 1.023 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)N[C@H](Cc2ccccc2)C2CC2)cn1 96421622 HNGRISKPJVEHJB-MJGOQNOKSA-N 342.443 1.948 0 40 EDAB CN(C)C(=O)COC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1ccccn1 96055421 JSUVDCAFGYOLAK-BHYGNILZSA-N 333.432 1.166 0 40 EDAB CN(C)CCOc1ccccc1C(=O)Nc1ccnc2ccnn12 96411704 RUDWRQOVAKNHJT-UHFFFAOYSA-N 325.372 1.922 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)N1CCCC1)C2 96227066 JFEISZMGWMSXHX-MAUKXSAKSA-N 328.416 1.626 0 40 EDAB Cn1cc(CN2CCC[C@]3(COCCN(c4nncs4)C3)C2)cn1 96049666 XKOAWRZZHTYEIZ-INIZCTEOSA-N 348.476 1.391 0 40 EDAB O=C1[C@H]2[C@H](C(=O)N1CCc1nc3cc(Cl)ccc3[nH]1)[C@H]1CC[C@H]2O1 245239005 DKJBITWPTIXNIW-QHSBEEBCSA-N 345.786 1.921 0 40 EDAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(Cc3ccccn3)[C@H]2C1 247982744 JSUVDCAFGYOLAK-XIRDDKMYSA-N 333.432 1.166 0 40 EDAB Cn1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)n1 585090842 QMQDVUGPFGFUJO-AWEZNQCLSA-N 330.388 1.498 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)C(F)F)C2)on1 585087613 USDFJAIQXYYTAE-MRVPVSSYSA-N 337.273 1.604 0 40 EDAB O=C(c1cccnc1)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 247873747 MYHMPLAJWZHMPC-AEFFLSMTSA-N 342.399 1.369 0 40 EDAB COc1coc(C(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1=O 253395771 QWXODUNJXAWKIC-TZMCWYRMSA-N 332.400 1.737 0 40 EDAB CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)N=c3cc[nH]cc3)CO2)C1 585120010 GFCAPVMIUBWWPZ-CYBMUJFWSA-N 348.403 1.403 0 40 EDAB Cc1ncsc1-c1cc(C(=O)N2CCC[C@H](C(N)=O)C2)ccn1 257320081 VVHJBTGBMRSJTB-LBPRGKRZSA-N 330.413 1.851 0 40 EDAB Cc1cc(C(=O)N2CC[C@@](O)(CN3CCc4ccccc4C3)C2)no1 257276131 NSLODUSDCBFEFD-LJQANCHMSA-N 341.411 1.618 0 40 EDAB Cc1cnc(C(=O)N2Cc3ccnn3C[C@H](COCC3CC3)C2)cn1 253601114 JRMQTVNLUZRJRA-OAHLLOKOSA-N 341.415 1.680 0 40 EDAB COc1ccc(S(=O)(=O)N2CCO[C@@H](c3cnc(C)cn3)C2)cc1 257280504 OLDAEWVEOADRSM-MRXNPFEDSA-N 349.412 1.556 0 40 EDAB CO[C@H]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@@]12CCCO2 257317441 VJTKCJHKHJURAF-IRXDYDNUSA-N 339.457 1.860 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)NC1C2CC3CC(C2)CC1C3 591893715 BGXOHBPYELDYPM-CMPFZWEDSA-N 343.475 1.683 0 40 EDAB CCCN(C(=O)c1ccoc1Br)[C@H]1CC(=O)N(C)C1=O 283474618 ITGGDUYEEKJVLL-VIFPVBQESA-N 343.177 1.652 0 40 EDAB CCOCCNS(=O)(=O)c1cccc(NCC[C@@H](C)CCO)n1 1615046416 WMMKDLGPSDVJHB-CYBMUJFWSA-N 345.465 1.217 0 40 EDAB COC(=O)CS(=O)(=O)C1CCN(C(=O)c2cc(C)oc2C)CC1 96121852 SANVXUKQUBPHIO-UHFFFAOYSA-N 343.401 1.089 0 40 EDAB O=C1CCCCN1C[C@H]1CCC2(CN(C(=O)C3(F)CCC3)C2)OC1 575403532 FZJMNAJXTMUCKX-CQSZACIVSA-N 338.423 1.899 0 40 EDAB CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)CCF)C2)OC1 575405933 VDAPMIDYUPDUTQ-INIZCTEOSA-N 335.423 1.881 0 40 EDAB CO[C@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/c2cnc[nH]2)C1 585289019 MHUPWRONVZJIOQ-RTRPANQVSA-N 334.420 1.299 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)Cc2c(C)n[nH]c2C)C1 585276097 JSSJMANXPNJANZ-LJQANCHMSA-N 343.427 1.920 0 40 EDAB O=C(NCC(F)(F)F)C1=NO[C@@]2(CCCN(c3ccncn3)C2)C1 585101215 OGEKKYYBFWUFNS-ZDUSSCGKSA-N 343.309 1.270 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1cncc(O)c1 585288202 QZIACVFFIABGQP-KBXCAEBGSA-N 347.415 1.466 0 40 EDAB CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2ccc(C)cc2C)CCO1 681943432 WJKQXCNCYJXMGN-OAHLLOKOSA-N 348.399 1.078 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)N1CCCN(C(=O)C(C)C)CC1 68186122 JVETTYXDCQIKCY-OAHLLOKOSA-N 337.464 1.494 0 40 EDAB CCOCCN1CCN(CC(=O)Nc2c(C)nn(C)c2C)C[C@@H]1C 69742436 ZJGYWSNPIFFDTR-ZDUSSCGKSA-N 337.468 1.018 0 40 EDAB O=C1O[C@H](CO)CN1c1ccc(I)c(F)c1 98044319 DIDJTOBWBNSVKL-ZETCQYMHSA-N 337.088 1.748 0 40 EDAB O=S1(=O)CCCN1CCNCc1sccc1Br 195564523 JQJORMZXVOBHSC-UHFFFAOYSA-N 339.280 1.636 0 40 EDAB N[C@@H]1CC12CC(NS(=O)(=O)N1CCC3(CCCCC3)CC1)C2 1615059174 WRJJNJKOGKOYCX-NPCAHTBFSA-N 327.494 1.747 0 40 EDAB Cc1c(-c2noc([C@@H]3CC[C@H]4CCCCN34)n2)c(O)nc(=O)n1C 1615003619 YAPTXLMSYJHMRL-MNOVXSKESA-N 331.376 1.534 0 40 EDAB CCc1cc(NS(=O)(=O)c2cnc(C3OCCO3)s2)n(C)n1 1615587926 VSGCPTBAZCFYLM-UHFFFAOYSA-N 344.418 1.285 0 40 EDAB O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 136553 HAILSFBFPLHHAY-WUXMJOGZSA-N 326.333 1.962 0 40 EDAB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NC(N)=O 15252759 IUORAZIYZQBJQL-VQHVLOKHSA-N 326.268 1.957 0 40 EDAB COc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1Cl 22999766 YKYROIYKYAVDSL-UHFFFAOYSA-N 332.853 1.969 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)ccc1F 239579100 DEOSSEGUKBGZSV-DFBGVHRSSA-N 329.393 1.749 0 40 EDAB CCN=c1nc(N2CCN(c3ncnc4[nH]ccc34)CC2)cc(C)[nH]1 1889151943 ONGSNKBFSLNQRK-UHFFFAOYSA-N 338.419 1.237 0 40 EDAB COCCCNC(=O)NCc1nnc2ccc(-c3ccsc3)nn12 238864833 LNQLWSWOGYZPOW-UHFFFAOYSA-N 346.416 1.689 0 40 EDAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCN(C(=O)CN)C2)n1 2037835046 TVKKCNKFMVHDRN-NSHDSACASA-N 332.433 1.568 0 40 EDAB COc1ccccc1C(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100073915 STZXXLDBIMRDTB-ZHFDPBBPSA-N 338.363 1.393 0 40 EDAB O=C(Cc1ccc(F)cn1)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccco1 968351373 VQSPAOOCSRUZOG-GASCZTMLSA-N 343.358 1.872 0 40 EDAB Oc1ccc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)nn1 2086923622 HZOJAHXVCXLXFI-UHFFFAOYSA-N 331.323 1.984 0 40 EDAB Cc1nc2ccccc2nc1N1CCN(S(=O)(=O)C(C)C)CC1 22343469 YCNHHEULPHWHCU-UHFFFAOYSA-N 334.445 1.798 0 40 EDAB COc1ccccc1-c1cc(C(=O)N2CC[C@@H](n3ccnn3)C2)[nH]n1 206931778 QRXKQOWPPNENJT-GFCCVEGCSA-N 338.371 1.764 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCCn1ccc2ccn(C)c2c1=O 575414970 VNMJSYBAFHWWIN-CQSZACIVSA-N 339.395 1.924 0 40 EDAB Cc1cccc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)n1 575608181 DRZNGVNTYNIVQB-UHFFFAOYSA-N 335.371 1.441 0 40 EDAB COC(=O)[C@@H](C)Sc1nnc(CNC(=O)c2ccc(F)cc2)o1 5107500 FMVWLUMBHPQQPL-MRVPVSSYSA-N 339.348 1.792 0 40 EDAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCc3ccccc3)n2)n1 40288445 LNDJTRUHUSQLNT-UHFFFAOYSA-N 337.383 1.362 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)CN1C(=O)COc2ccc(Cl)cc21 31399059 ZEDUQEFPRWHXAB-LLVKDONJSA-N 348.790 1.467 0 40 EDAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NCc1nnc2n1CCC2 40540835 MAAQHPKDGBLTRA-UHFFFAOYSA-N 328.420 1.983 0 40 EDAB O=S(=O)(NCCc1ccc2c(c1)OCCO2)N1CCCCC1 36723277 PAXLQOXPKMDHIF-UHFFFAOYSA-N 326.418 1.321 0 40 EDAB CC(=O)c1ccc(OCC(=O)N2CCN(c3cnccn3)CC2)cc1 11546546 YHZAAQMEBHDUJA-UHFFFAOYSA-N 340.383 1.407 0 40 EDAB CC(C)c1nnc(NC(=O)Cc2ccc(-n3cnnn3)cc2)s1 45955219 RKMLJMQVVVOJNF-UHFFFAOYSA-N 329.389 1.818 0 40 EDAB FC(F)(F)Cn1ccnc1CN1CCC[C@H](Cn2cncn2)C1 69628689 RFWITFXZHWIYTH-LBPRGKRZSA-N 328.342 1.949 0 40 EDAB CNC(=O)OCc1nn(-c2ccccc2)c(C)c1COC(=O)NC 1574678 ADZJUZBJASIHPV-UHFFFAOYSA-N 332.360 1.893 0 40 EDAB COc1cccc(OCC(=O)OCCNC(=O)c2ccncc2)c1 2679820 ZHQIGEKLZSCARC-UHFFFAOYSA-N 330.340 1.442 0 40 EDAB O=C(CC1CCCC1)NCCNC(=O)N1CC[C@H](N2CC=CC2)C1 101387002 VRVBNGKEJSALTF-INIZCTEOSA-N 334.464 1.339 0 40 EDAB C[C@@H]1CCCN(C(=O)CS(=O)(=O)Cc2nc(C3CC3)no2)C1 46137231 QKZCZCXVNFVRDD-SNVBAGLBSA-N 327.406 1.120 0 40 EDAB Cc1nnc(S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)O)[nH]1 6588282 IYAHQDMNXQFHRE-FLIBITNWSA-N 336.373 1.761 0 40 EDAB C[C@H](CNC(=O)CCCc1nc2ccccc2o1)N1CCOCC1 32650130 UKIJPTWXVBFGIK-CQSZACIVSA-N 331.416 1.987 0 40 EDAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC#N)cc1 7756011 XJNTUWISECVDCY-AWEZNQCLSA-N 331.397 1.945 0 40 EDAB CNC(=O)C(=O)NCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 8325265 QSJJAFIAADAGAD-ZDUSSCGKSA-N 339.395 1.393 0 40 EDAB CCc1cnc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)s1 81232861 GXEXYEPNDIEFCP-JSGCOSHPSA-N 347.444 1.987 0 40 EDAB COc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1 2637670 AHRMQJSGMIPRHA-UHFFFAOYSA-N 348.399 1.873 0 40 EDAB O=C(Nc1ccc(CNC(=O)[C@H]2CCS(=O)(=O)C2)cc1)C1CC1 32857914 MRCHZAFMNBKAAE-ZDUSSCGKSA-N 336.413 1.086 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)C1=NN(c2ccccc2)C(=O)CC1 60531696 FDCOLFOEAPSXKK-CQSZACIVSA-N 344.415 1.006 0 40 EDAB Cc1ccc(OCC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c(C)c1 32986129 JAFHDLHUTAIOFM-QGZVFWFLSA-N 340.379 1.962 0 40 EDAB COC(=O)c1nc2n(n1)[C@H](c1ccc(OC)cc1)C=C(C(=O)O)N2 102742019 RNWJRLZKMVKWJZ-NSHDSACASA-N 330.300 1.057 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN([C@@H](C)C(=O)Nc3nccs3)C2)o1 89702274 HQASFIWGFDTILJ-STQMWFEESA-N 349.460 1.973 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc2ccccc2[nH]1 102848584 BXBFJXAIVMBOIG-QWRGUYRKSA-N 326.356 1.677 0 40 EDAB O=C(Cn1nnnc1C1CCCC1)NC(=O)NCc1ccccc1 52893007 ODJILKVBRRYKKM-UHFFFAOYSA-N 328.376 1.357 0 40 EDAB O=C(CNS(=O)(=O)Cc1ccc(F)cc1)N1CCc2ccccc21 41428322 ZEXPSWYUFXALJV-UHFFFAOYSA-N 348.399 1.834 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NOCc1ccccc1 102908858 STKSMOOLXKQMJP-SDADXPQNSA-N 326.352 1.042 0 40 EDAB COc1cccc2c1OC[C@H](NC(=O)Cn1c(C)csc1=O)C2 102913005 SYESQVICIMUYIG-GFCCVEGCSA-N 334.397 1.347 0 40 EDAB NC(=O)C1(CNC(=O)Nc2ccc(N3CCCC3)nc2)CCOCC1 47046764 HJIIHVXILHJJBK-UHFFFAOYSA-N 347.419 1.085 0 40 EDAB O=C(NCCOCc1ccccc1)N1CCN(c2ncccn2)CC1 177570725 PHFIKYYXLRPBTG-UHFFFAOYSA-N 341.415 1.525 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC)c(Cl)c1 28208075 VUCJLRZABBNPQI-UHFFFAOYSA-N 334.825 1.495 0 40 EDAB CCN(CC)Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)c1 47447865 HPYIRBLJZVDVNY-MRXNPFEDSA-N 347.459 1.962 0 40 EDAB CC(=O)N1CCC(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 23307735 ICXNNOQGJXPRHJ-UHFFFAOYSA-N 332.404 1.115 0 40 EDAB C[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@@H]1C[C@H]2CC[C@H]1C2 104862760 ZHMXZVRYWUVGNW-OSFYFWSMSA-N 349.456 1.425 0 40 EDAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N2CCNC(=O)CC2)c1 105130631 YILKJQBIJOPAQZ-CYBMUJFWSA-N 346.431 1.246 0 40 EDAB CCN(CC)C(=O)CN(C)C(=O)c1cc(OC)c2c(c1)OCCO2 23800452 SNELREYVQUZEJI-UHFFFAOYSA-N 336.388 1.407 0 40 EDAB COc1ccc(OC)c2c1CN(c1cc(Cl)nc(N)n1)C[C@H]2O 24056681 HLLVWRXLBPTPFZ-SECBINFHSA-N 336.779 1.783 0 40 EDAB NC(=O)C1CCN(C(=O)CN(Cc2ccco2)Cc2ccco2)CC1 24747507 KLUAHJYLGNKJAT-UHFFFAOYSA-N 345.399 1.599 0 40 EDAB CC(C)[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(Cl)cc1 25162131 HBTSDHMNDXUVGY-HNNXBMFYSA-N 335.791 1.704 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)C[C@H](C)NC(=O)c2ccccc2)C1 25439028 UPTSSIUNEJPTEC-GOEBONIOSA-N 346.427 1.997 0 40 EDAB CC[C@H]1CN(Cc2cc(=O)n3cccc(C)c3n2)CCN1C[C@H](C)O 107351129 OJWJREXTYAITAR-RDJZCZTQSA-N 344.459 1.280 0 40 EDAB Cc1cc(N2CCCN(C(=O)COc3ccccc3)CC2)nc(N)n1 57140545 CFVGHRHIGSHRSW-UHFFFAOYSA-N 341.415 1.485 0 40 EDAB CCc1ccc(-n2c(O)nc3nc(-n4ccnc4)ncc3c2=O)cc1 57351996 DELQHGIKOLRLRL-UHFFFAOYSA-N 334.339 1.629 0 40 EDAB CCc1nnc(CSc2nnc(-c3ccc(OC)cc3)n2N)o1 29871925 RXOOHTANPRWNQI-UHFFFAOYSA-N 332.389 1.905 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCOc1ccc2c(c1)OCO2 57853758 JKELUISBMBHMMX-WCQYABFASA-N 334.372 1.073 0 40 EDAB C[C@H]1CN(C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)CCO1 10053938 HBEVACHTSIZGPW-GOEBONIOSA-N 346.427 1.842 0 40 EDAB O=C(CCNC(=O)Nc1nnc(C2CC2)s1)Nc1ccncc1 58171025 IEAXMRWEABIQNK-UHFFFAOYSA-N 332.389 1.961 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)OCC(=O)NCc1ccc(F)cc1 10199521 PEGAJCYWYOWBBR-UHFFFAOYSA-N 333.363 1.578 0 40 EDAB CN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C1CCCCCC1 58265570 ZCVPRINLYNGNHM-UHFFFAOYSA-N 334.420 1.291 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cc2ccccc2Cl)CC1 58282625 QMRWRNGLBKNVPF-INIZCTEOSA-N 349.862 1.823 0 40 EDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)N1CCN(c2nccs2)CC1 44971877 OOHHGQAVYLRMOV-ZIAGYGMSSA-N 335.477 1.602 0 40 EDAB COc1ccc(CN2CCN(Cc3nnnn3C3CC3)CC2)cc1 44908290 OEHIBCWNEWPGJA-UHFFFAOYSA-N 328.420 1.334 0 40 EDAB C[C@@H](NC(=O)CNC(=O)c1cc(-c2ccccc2)on1)[C@H]1CCCO1 58343416 WECDQBYWYFTLNS-IUODEOHRSA-N 343.383 1.755 0 40 EDAB CC[C@@H](C)NC(=O)CN1CCN(Cn2ccc(C(F)(F)F)n2)CC1 58311648 BIQAGOMKVDSHRZ-GFCCVEGCSA-N 347.385 1.392 0 40 EDAB CCOC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 58316223 KXMMPDJBSVJBCI-LBPRGKRZSA-N 344.408 1.084 0 40 EDAB CN(C)c1ccc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1F 58311684 BPHIMGOBETWEQJ-GFCCVEGCSA-N 343.424 1.046 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cnccn2)c1C 3395848 CMXKMGHLYYFZSH-UHFFFAOYSA-N 331.328 1.638 0 40 EDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)N[C@H](C)c1ccc(F)cc1 11097333 IEYMJTSLCNUBOV-HTQZYQBOSA-N 336.396 1.533 0 40 EDAB COCCCNC(=O)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 58918787 BDABEAJBLCYXSA-HNNXBMFYSA-N 349.479 1.337 0 40 EDAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)NC(=O)c1ccccc1 11134772 RKIYCCULNPLJQW-YIONKMFJSA-N 343.379 1.882 0 40 EDAB O=S(=O)(NCCn1ccnc1)c1ccccc1OC(F)(F)F 48264583 HFYXIDSYBIBKNP-UHFFFAOYSA-N 335.307 1.760 0 40 EDAB COc1cc(CN(CC(N)=O)Cc2cccs2)cc2c1OCO2 48276061 TVJXLOPCKAWOKK-UHFFFAOYSA-N 334.397 1.973 0 40 EDAB CCc1ccccc1NC(=O)CNC(=O)CN1C[C@H](C)OC[C@@H]1C 48249583 WXKTUCZKRWUNCF-KBPBESRZSA-N 333.432 1.413 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)C(=O)OC 69778593 SSNBODCZMCCXQN-MEDUHNTESA-N 331.372 1.100 0 40 EDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H](Cc1ccccc1)n1cnnn1 12852965 GECLTBUVQQRQIV-HNNXBMFYSA-N 349.354 1.265 0 40 EDAB CCCCN(C(=O)NCC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 8314081 UPEGUNZNDAEJIE-UHFFFAOYSA-N 325.413 1.111 0 40 EDAB Cc1cc(-c2nnc(SCC(=O)Nc3ccccc3C)n2N)[nH]n1 9089020 UTJYTTXABQYRKA-UHFFFAOYSA-N 343.416 1.730 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)CCC(=O)c1cccs1 5078700 QUWNNMBLOCPHRM-UHFFFAOYSA-N 326.374 1.490 0 40 EDAB Cc1nn(C)c(N(C)C)c1CN[C@@H]1CC(=O)N(c2ccccc2)C1 65474723 WCCBXZXFNMOTJV-CQSZACIVSA-N 327.432 1.690 0 40 EDAB Cn1ccnc1CN1CCC(C(=O)NCCN2CCCCCC2)CC1 65419092 VNBHEAVNFPPQBD-UHFFFAOYSA-N 347.507 1.624 0 40 EDAB O=C1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCC2)=NN1 14070079 LGZNUYSJLPSJTR-UHFFFAOYSA-N 328.372 1.517 0 40 EDAB CN(C)c1cc(CNC(=O)N2CCC[C@H](c3nncn3C)C2)ccn1 65578192 VCNVGNGJOWAAFB-AWEZNQCLSA-N 343.435 1.365 0 40 EDAB Cc1c(C(=O)N[C@@H]2CCc3nccn3C2)sc2ncn(C)c(=O)c12 65512215 FUGMCTPCMZJNAJ-SNVBAGLBSA-N 343.412 1.245 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCc1ccoc1 65595295 XVSXGGYMINJBDF-LLVKDONJSA-N 337.401 1.830 0 40 EDAB COCc1nc(OC)c2c(C)c(/C(O)=N/S(C)(=O)=O)sc2n1 69539233 PGXLXMPKPNYBBO-UHFFFAOYSA-N 345.402 1.419 0 40 EDAB CCn1ccnc1CN1CCN(C[C@H](O)COc2ccccc2)CC1 69510765 QLZMASYCMHUWJO-KRWDZBQOSA-N 344.459 1.461 0 40 EDAB CCNC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 65604568 YXYKWZJLRBADIF-AWEZNQCLSA-N 339.461 1.715 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)Cc2cccc(Cl)c2)CC1 69878143 SECWQHCDYLABON-INIZCTEOSA-N 340.851 1.424 0 40 EDAB CC[C@H]1CN(CCc2nc3ccccc3c(=O)[nH]2)CCN1CCOC 69841128 BWECDAHQDOMGLG-HNNXBMFYSA-N 344.459 1.508 0 40 EDAB Cn1cnc(S(=O)(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)c1 69971120 GBUMPVNERFHRQR-UHFFFAOYSA-N 347.356 1.105 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)CSc1ccc(F)c(F)c1 66367160 XKBQHBLRXDDVCU-VIFPVBQESA-N 337.413 1.948 0 40 EDAB NC(=O)C1(N2CCCCC2)CCN(C(=O)NCc2ccccc2)CC1 6810125 LMTJKSWLWMLFNM-UHFFFAOYSA-N 344.459 1.702 0 40 EDAB CSc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 6869806 AFLHAYHLBLVZKV-AWEZNQCLSA-N 334.441 1.872 0 40 EDAB Cc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)[nH]c1C 15081557 POPCLFZJSDRPSJ-UHFFFAOYSA-N 340.430 1.405 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@@]1(O)CCCc2ccccc21 66931292 ZXZZNVBEYCUEHI-GUYCJALGSA-N 337.441 1.152 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)Cc1ccc(N2CCCC2=O)cc1 6986560 BUOXSRJABXYJGS-UHFFFAOYSA-N 331.416 1.387 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(C)cc2C)cc1 8714486 ALRXJHKXOCKBLA-UHFFFAOYSA-N 336.417 1.437 0 40 EDAB Cc1cc(C(=O)NCc2cccc(F)c2)nc(N2CCOCC2)n1 71195487 YYBKWJRMCXFNKH-UHFFFAOYSA-N 330.363 1.691 0 40 EDAB Oc1nncc(I)c1I 71255467 UNBXOAJHGTYEPI-UHFFFAOYSA-N 347.881 1.391 0 40 EDAB O=C(N[C@@H]1CCc2nc(C(=O)NC3CC3)sc2C1)c1ccoc1 306133007 LYPFMVUCHPHHPG-LLVKDONJSA-N 331.397 1.916 0 40 EDAB CCN(CC)C(=O)COCC(=O)NCCc1ccc(Cl)cc1 9763661 ZWGFYWWVKXKGNQ-UHFFFAOYSA-N 326.824 1.884 0 40 EDAB Cn1c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c(=O)n(C)c1=S 20411151 YLYASIIZEVKKDL-AWEZNQCLSA-N 342.424 1.875 0 40 EDAB biogenic COc1ccc(Cl)cc1NC(=O)CN[C@]1(C)CCS(=O)(=O)C1 9337762 GYLCQLZRBFLJCX-CQSZACIVSA-N 346.836 1.454 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N[C@H](C(C)C)C2=O)cc1Cl 9450310 AKEXXVDPWZEXRC-CYBMUJFWSA-N 339.779 1.864 0 40 EDAB O=C(N1CCOCC1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 96455753 OHIXNJMTUIIHJQ-UHFFFAOYSA-N 344.337 1.675 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)c1ccc(OCc2nccn2C)cc1 89938534 SJDVTXMGYGQFDQ-AWEZNQCLSA-N 328.416 1.775 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COCc1nc2ccccc2s1 71829761 WVTPAQURWRXTPF-NEPJUHHUSA-N 347.440 1.925 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](N2CCNC2=O)C1 71830393 JSEYULPJTUCXEE-AWEZNQCLSA-N 326.400 1.727 0 40 EDAB C[C@H]1CN(C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)CCO1 71821657 CYSFJAMULNUGEJ-ZDUSSCGKSA-N 328.416 1.888 0 40 EDAB Cc1cn2nc(N(C)[C@H]3CCCN(Cc4noc(C)n4)C3)sc2n1 71859528 PHENIBDKORGXNM-LBPRGKRZSA-N 347.448 1.891 0 40 EDAB COC(=O)c1ccc(N2CCN(C(=O)Cn3cccn3)[C@H](C)C2)cc1 71851093 AWDMEAJLUUXBTD-CQSZACIVSA-N 342.399 1.407 0 40 EDAB CC(=O)N1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 89954496 MZRMNIDCYBBTCT-OAHLLOKOSA-N 334.420 1.290 0 40 EDAB CCOCCOC(=O)[C@H](NS(=O)(=O)c1ccccc1)C(C)C 75567997 ZGEILOQJCSJRDW-CQSZACIVSA-N 329.418 1.569 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)[C@@H]2CCCN(c3cnccn3)C2)cn1 72255048 DLNKJDMXBQLEPW-GDBMZVCRSA-N 340.431 1.790 0 40 EDAB COc1ccccc1COC[C@@H](O)CN[C@@H]1CCc2nc(C)nn2C1 72254066 UXSGLMRJFBOOIG-CVEARBPZSA-N 346.431 1.077 0 40 EDAB CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(CCc2cnn(C)c2)C1 84259176 LIFJFZWYTZHHNH-INIZCTEOSA-N 331.420 1.382 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(C[C@H](O)c2ccccc2)C1 84281132 PVTPXGJKUXKHML-SJORKVTESA-N 344.415 1.534 0 40 EDAB CN1CCO[C@@H](C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 76060809 CFNFOAQJBKNNFG-MRXNPFEDSA-N 331.416 1.194 0 40 EDAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(O[N+](=O)[O-])cc1 72333083 VOTRKZBBLNFNFT-ZDUSSCGKSA-N 345.315 1.701 0 40 EDAB COC(=O)[C@H]1CCC[C@@H](C(=O)NCCCCN2CCOCC2)C1 76060899 VRCUIHGEFQBDQE-CABCVRRESA-N 326.437 1.194 0 40 EDAB Cc1ncc(CN2CCc3ncnc(N4CCOCC4)c3C2)s1 97202373 XFEMUQHQDLAQPK-UHFFFAOYSA-N 331.445 1.636 0 40 EDAB CCN(C)C[C@@H]1CCN(C(=O)c2ccccc2CN2CCOCC2)C1 97212734 FEWCUIWWTWVWQC-KRWDZBQOSA-N 345.487 1.933 0 40 EDAB O=C(CN1CCC(c2cn[nH]c2)CC1)NCCOc1ccccc1 97202874 FDNVGLIXSRJTKX-UHFFFAOYSA-N 328.416 1.784 0 40 EDAB O=C(NCCO)Nc1cc(F)c(F)cc1I 84334839 PCLXBFQDZCJHQL-UHFFFAOYSA-N 342.083 1.683 0 40 EDAB CN1CC[C@@H](NC(=O)Nc2ccc(Br)c(F)c2)C1=O 76081766 PHMUMGIFVXAEBK-SNVBAGLBSA-N 330.157 1.940 0 40 EDAB CCc1nncn1CCNC(=O)N1CCC[C@H](Cc2nccn2C)C1 95424859 VPPOZUPCBKRIJW-CQSZACIVSA-N 345.451 1.238 0 40 EDAB Cc1cc(F)c2[nH]c(=O)cc(C(=O)NCC[C@H](C)[S@](C)=O)c2c1 95995279 GEJHLRJDUKKLRY-SDWAUSNYSA-N 338.404 1.863 0 40 EDAB Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCC(=O)NC1 75091883 QUJDKKKQXVXJEO-SECBINFHSA-N 347.234 1.314 0 40 EDAB Cc1ccc(I)c(OCC(=O)NC(N)=O)c1 75092229 UXTQTZQVMHSNGN-UHFFFAOYSA-N 334.113 1.173 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)on1 89608659 JNRJEVOOUQIIPW-UHFFFAOYSA-N 342.399 1.118 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 408598406 ZWRRKFGYGAELNP-GFCCVEGCSA-N 343.449 1.777 0 40 EDAB Cc1ncn(-c2ccc(NC(=O)[C@@H]3CN4CCN3C[C@H]4C)cc2)c1C 1548707642 HGJRYXIAOHBCDR-ACJLOTCBSA-N 339.443 1.816 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 67201784 MXWHONCBXCKDAA-OLZOCXBDSA-N 337.424 1.572 0 40 EDAB O=C(Nc1cccc(F)c1)[C@H]1Nc2cc(F)ccc2S(=O)(=O)N1 35507009 YGILGBOTIMBWMC-ZDUSSCGKSA-N 339.323 1.633 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)c(C)s1 35784232 YNXIEIOGPGCMAG-UHFFFAOYSA-N 345.490 1.132 0 40 EDAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCN1CCOCC1 216260808 ZHSKWLKRDLCDJA-OAHLLOKOSA-N 326.824 1.946 0 40 EDAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1O 409193793 LULDLFZJXKJEIJ-XBXARRHUSA-N 327.134 1.686 0 40 EDAB COc1cc2c(cc1OC)[C@H](NC(=O)CCCn1cnnn1)CC2 524733193 DJAIFDKWOZEHLX-CYBMUJFWSA-N 331.376 1.274 0 40 EDAB COc1cc(CNCCN2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC 30663156 ZHXVPIXUIJDALL-ZIAGYGMSSA-N 338.448 1.911 0 40 EDAB COCCN1CCCN(C(=O)Cc2cn(C)c3ccccc23)CC1 79289736 XXVPZGBJLQGDDG-UHFFFAOYSA-N 329.444 1.902 0 40 EDAB CC[C@H](C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)O 71334085 FWIJZIUADHGHTN-ZBEGNZNMSA-N 335.404 1.128 0 40 EDAB CCn1cnc2c(N3CCC(CO)(NCC(C)C)CC3)ncnc21 521395170 SNZKQBGCNAGKKW-UHFFFAOYSA-N 332.452 1.423 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2cc(NC(=O)C3CC3)n(C)n2)CC1 46089169 MQNDGSIFZOQQAS-UHFFFAOYSA-N 348.403 1.184 0 40 EDAB COc1ccc([C@@H]2[C@H](C(=O)NC[C@H]3CCCO3)CCC(=O)N2C)cc1 226220133 QUBSZAVWPLFYQK-JFIYKMOQSA-N 346.427 1.900 0 40 EDAB O=C(NCc1cccnc1N1CCCC1)[C@H]1CCc2[nH]cnc2C1 225512430 ZVHPLZLVJILLPC-ZDUSSCGKSA-N 325.416 1.826 0 40 EDAB Cn1nnn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)c1=O 75163074 BINHVAUOWLTGMU-UHFFFAOYSA-N 329.747 1.872 0 40 EDAB CSCC[C@@](C)(O)CNC(=O)CCS(=O)(=O)c1ccccc1 75157517 BJJOXEHXDYESPZ-OAHLLOKOSA-N 345.486 1.471 0 40 EDAB O=C(CCCc1ccccc1)NCc1ccnc(N2CCOCC2)n1 224217119 PPCMWIOZKFTVQN-UHFFFAOYSA-N 340.427 1.952 0 40 EDAB Cn1ncc2ccc(CNC(=O)N3CCC[C@H](n4ccnn4)C3)cc21 573200848 QOCOELRBSLFVQH-HNNXBMFYSA-N 339.403 1.712 0 40 EDAB O=C1CNc2ncnc(Nc3cnn(Cc4ccc(F)cc4)c3)c2N1 41121470 PBYHIBFXQMSPFY-UHFFFAOYSA-N 339.334 1.968 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)COc3ccccc3)C2)nn1 225434547 IAMFKUQEAGYZEI-CQSZACIVSA-N 329.356 1.544 0 40 EDAB O=C([C@H]1CN(Cc2ccco2)CC12CCOCC2)N1CCOCC1 96052203 PVDIXZMUMGCBEP-MRXNPFEDSA-N 334.416 1.367 0 40 EDAB CS(=O)(=O)CCC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 96407378 OAIMIIWSFUHGET-CYBMUJFWSA-N 328.409 1.345 0 40 EDAB Cc1cccc(C(=O)N2C[C@H]3[C@H](Cc4nc(C)no4)COC[C@H]3C2)n1 96057269 VPROJVHZRPDLOU-KFWWJZLASA-N 342.399 1.659 0 40 EDAB Cc1ccc(C(=O)N2CCn3cc(CN4CCCC4)nc3C2)cn1 96067964 IMENCMYJEMVSMW-UHFFFAOYSA-N 325.416 1.838 0 40 EDAB CS(=O)(=O)Nc1ccc2c(c1)C1(CCOCC1)CN2CCF 96243489 FIZXZXFECSWKKU-UHFFFAOYSA-N 328.409 1.896 0 40 EDAB COC(=O)c1ncn(C[C@H](O)Cc2ccccc2C(F)(F)F)n1 95438909 RMGZWUFIKBDXCW-SNVBAGLBSA-N 329.278 1.687 0 40 EDAB O=C(Cc1ccccn1)N1C[C@@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96042596 MBDQARRLNUTZTE-MDZRGWNJSA-N 339.395 1.857 0 40 EDAB CN1C(=O)C[C@@H](NCc2cn(C(C)(C)C)nn2)[C@@H]1c1cccnc1 583616643 WFDDGIVZPVMSAM-ZBFHGGJFSA-N 328.420 1.490 0 40 EDAB CC(C)NC(=O)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96223312 XJOBTMKMEXVOOD-CZUORRHYSA-N 337.399 1.769 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@@H]2COc3ccccc3C2)c1C 96427717 METDMOVRVXGMPU-AWEZNQCLSA-N 335.429 1.802 0 40 EDAB CCNC(=O)CNC(=O)N[C@H](C)Cc1ccccc1Br 96470177 ZJAQAVCTFPSPFF-SNVBAGLBSA-N 342.237 1.815 0 40 EDAB C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 96432078 QMMWTHMYECFJEH-UONOGXRCSA-N 347.440 1.874 0 40 EDAB Cc1noc(-c2ccc(C(=O)N[C@H](C)CN3CCOCC3)cc2)n1 40535731 SJLGMMRXPCYQPG-GFCCVEGCSA-N 330.388 1.496 0 40 EDAB COc1cc(N2CCC3(CCOC[C@@H]3NC(=O)C3CC3)CC2)ncn1 96219764 SWYQUBMKZOEKMD-AWEZNQCLSA-N 346.431 1.387 0 40 EDAB Cn1ccc(C(=O)N2CC3(C[C@@H](Oc4ccccn4)CCO3)C2)n1 248159746 XBVKEMXDGZCJDS-ZDUSSCGKSA-N 328.372 1.268 0 40 EDAB C/C(=C\C(=O)NS(=O)(=O)c1cccc(-c2nnco2)c1)C1CC1 584908194 TUJNIBLDDSRXFV-JXMROGBWSA-N 333.369 1.898 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCn3nccc3C2)c(C)c1 253473705 XKRAJSDZLITGCZ-CQSZACIVSA-N 348.428 1.443 0 40 EDAB CCOC(=O)C1(S(=O)(=O)N[C@@H](C)Cc2c(C)noc2C)CCC1 585115781 RZBJSPITJNGCJM-JTQLQIEISA-N 344.433 1.628 0 40 EDAB CCCn1nccc1-c1nccnc1C1CCN(S(C)(=O)=O)CC1 257327677 XCGCXWMGWGUZDC-UHFFFAOYSA-N 349.460 1.889 0 40 EDAB Cc1cccc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)n1 257224958 FEDBPKITZBNYJL-GOSISDBHSA-N 341.415 1.284 0 40 EDAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)Cc1cccs1 257204444 AUQIKAFOJIVZML-KRWDZBQOSA-N 346.456 1.571 0 40 EDAB CCc1nnsc1C(=O)NCc1ccnc([C@H]2CCCOC2)n1 257293907 QRRDBVSZNQGAKX-JTQLQIEISA-N 333.417 1.715 0 40 EDAB Cc1ccc([C@H](CNC(=O)[C@@H]2CCCc3nnn(C)c32)N(C)C)cc1 1615586023 OXSHZFMLKOWYGD-WBVHZDCISA-N 341.459 1.963 0 40 EDAB CCc1ccc(S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc1 96122025 JTWLYLHYYAHBLV-UHFFFAOYSA-N 345.486 1.693 0 40 EDAB O=C(N[C@@H]1Cc2cncn2C1)c1ncccc1OCC(F)(F)F 585141686 WWEWVEBZAOVBRF-SECBINFHSA-N 326.278 1.574 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 585108814 NRLNEYQMSJEVOW-YPLQCARHSA-N 344.411 1.249 0 40 EDAB Cn1ccnc1CN1CCOC[C@](O)(COc2ccc(F)cc2)C1 585269007 HFJYCHSOQLEDDF-KRWDZBQOSA-N 335.379 1.202 0 40 EDAB CS(=O)(=O)NC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21 585111526 CRUVVYNOQAKAGS-CYBMUJFWSA-N 326.447 1.051 0 40 EDAB CC(=O)N1CCC[C@@]1(CO)CC(=O)NC1(c2ccc(F)cc2)CC1 585280231 DIIGFIZXEPNOOM-KRWDZBQOSA-N 334.391 1.695 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1CCN(c2nccs2)CC1 54621568 QHLQGWQKMFDAAS-UHFFFAOYSA-N 336.486 1.985 0 40 EDAB C[C@@H]1CN(C(=O)C2=NO[C@]3(CCCNC3)C2)C[C@@H](c2ccsc2)O1 1548545657 QMGREQFIFHNGJE-ISTRZQFTSA-N 349.456 1.935 0 40 EDAB CCOCCN1CCN([C@@H](C)C(=O)Nc2cc(C)on2)C[C@@H]1CC 69698100 DVNSUJLVKUORLR-GJZGRUSLSA-N 338.452 1.743 0 40 EDAB Cc1cc(CNC(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)no1 69708492 XKWCOTAOWZKMQN-AWEZNQCLSA-N 346.406 1.949 0 40 EDAB COc1ccccc1[C@@H](C)NC(=O)CN1CCO[C@H](CN(C)C)C1 69840959 UCMADSWZCLTTSW-HUUCEWRRSA-N 335.448 1.135 0 40 EDAB CC(C)CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 58294612 BTTBOJNUEQWGHB-UHFFFAOYSA-N 345.490 1.528 0 40 EDAB C[C@@H](NC(=O)N1CCCCCC1)c1ccc(S(N)(=O)=O)cc1 40477824 DFSBMYBMDHFOGQ-GFCCVEGCSA-N 325.434 1.981 0 40 EDAB CCOCC(=O)N1CC[C@@H](Oc2ncccc2Br)C1 238941575 WAMUTGHMLAXKDK-SNVBAGLBSA-N 329.194 1.860 0 40 EDAB Cc1cc2n(n1)C1(CCN(Cc3ccncc3)CC1)CC(=O)N2C 1772596196 UGYMYLDQSQWXCR-UHFFFAOYSA-N 325.416 1.944 0 40 EDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)Cc3ccsc3)C[C@H]21 12120105 STBKNJRMFJXWMH-OCCSQVGLSA-N 329.425 1.871 0 40 EDAB COc1ccccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCCC2)[C@H]1O 12529614 AEPIQDNEKOXWMO-IEWDOMPSSA-N 348.443 1.124 0 40 EDAB biogenic,in-vitro C[C@H]1CN(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 12971475 VEDNAXXIVASSBR-HZSPNIEDSA-N 334.416 1.744 0 40 EDAB C[C@H](NC(=O)Nc1ccc2c(c1)oc(=O)n2C)C(=O)OC(C)(C)C 155599533 IOMSAUWBPFFJEU-VIFPVBQESA-N 335.360 1.983 0 40 EDAB CN1C[C@H](C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)CC1=O 220768011 RUDIVLQQTDDJHL-WCQYABFASA-N 332.404 1.206 0 40 EDAB CCOC(=O)CN1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225821979 INIFGYQFWSJGDA-UHFFFAOYSA-N 345.399 1.483 0 40 EDAB CO[C@@H](CS(=O)(=O)N1CCC[C@H](C(=O)O)C1)c1ccc(F)cc1 530139727 NRXQPSGPHUQMPF-JSGCOSHPSA-N 345.392 1.640 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)CC(=O)N1CCCc2ccccc21 643586049 SZWBISCKXQSIIV-LMMKCTJWSA-N 348.443 1.326 0 40 EDAB CN(C)C(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2)CC1 390829603 FINNVSQYUZZCJE-UHFFFAOYSA-N 332.404 1.135 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)c1C 27490338 UTJDRXNZFZBJHF-INIZCTEOSA-N 349.412 1.444 0 40 EDAB Cn1nccc1CN1CCC2(CC1)CO[C@@H](Cc1cnccn1)C2 2037784283 UVLUWUWVLDIRER-KRWDZBQOSA-N 327.432 1.824 0 40 EDAB CC(C)OC[C@@]12CCCO[C@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1565541710 NVWJGZGWIBEOKJ-HOCLYGCPSA-N 347.477 1.244 0 40 EDAB Cn1cnc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCC2)C3)n1 1565549454 RQVWWOOGMJJCRP-UHFFFAOYSA-N 331.420 1.070 0 40 EDAB COc1cc(C(=O)N2CC3(C2)CN(C(C)C)c2nccnc23)on1 1565556152 OOVTYMYEZBUVDM-UHFFFAOYSA-N 329.360 1.095 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2c(s1)CCCC2 13792286 SHNZPCFFLOXWMK-NSHDSACASA-N 343.474 1.775 0 40 EDAB C[C@@H]1CN(S(=O)(=O)C2CC2)C[C@]12CCN(Cc1cccnc1)C2=O 2055704310 HUJFXPYWHWJUGC-CXAGYDPISA-N 349.456 1.244 0 40 EDAB CSc1ccccc1NC(=O)C(=O)NC[C@@H](O)c1cccn1C 75155152 WKZREICMINCFEG-CYBMUJFWSA-N 333.413 1.535 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)s2)o1 30568967 OBQKGSGBEFLXKU-UHFFFAOYSA-N 328.375 1.169 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(c2ccc(Br)cn2)CC1 40514232 GZJFLLLQJHLVII-LBPRGKRZSA-N 340.221 1.672 0 40 EDAB CC1=C(C(N)=O)[C@H](c2cccnc2)N2NC(c3cccs3)=NC2=N1 73500 CQQCEWLIFONHRW-ZDUSSCGKSA-N 338.396 1.580 0 40 EDAB COCCn1c(C(=O)NCc2cccnc2)nc2ccccc2c1=O 31819532 VNTLAHVPZXGMED-UHFFFAOYSA-N 338.367 1.368 0 40 EDAB CCCCNC(=O)Cc1noc([C@@H]2CCCN(C(=O)C3CC3)C2)n1 69697859 YDCBDWWHRPALAA-CYBMUJFWSA-N 334.420 1.644 0 40 EDAB O=C1C[C@H](N(C(=O)c2ccccc2Br)C2CC2)C(=O)N1 101099942 KFQMPQHDJATBFW-NSHDSACASA-N 337.173 1.469 0 40 EDAB CCOC(=O)c1c(C)c(C(=O)OCC)n2cnc(C(=O)OC)cc12 1859334 QNECGVBQBCJUSQ-UHFFFAOYSA-N 334.328 1.783 0 40 EDAB C[C@@H](c1ccc2c(c1)OCO2)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 3881903 LCPQTKFZJSZOCI-LLVSDVSVSA-N 343.335 1.343 0 40 EDAB Cc1c(CC(=O)N2CCC[C@H]2C(=O)O)c(=O)oc2cc(O)ccc12 4062303 AFHUQZFNQGZNRF-ZDUSSCGKSA-N 331.324 1.425 0 40 EDAB biogenic O=C1O[C@@H](C(=O)NCCN2CCCCCC2=O)Cc2ccccc21 32309316 SRACDTSPKOGXQA-OAHLLOKOSA-N 330.384 1.287 0 40 EDAB CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 4383658 DXGXMAUDWQNDMV-ZDUSSCGKSA-N 326.418 1.284 0 40 EDAB Cc1noc([C@H](C)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)n1 46093137 HLDZOZXOBHVVIW-LBPRGKRZSA-N 329.404 1.356 0 40 EDAB COC(=O)c1sc2ccccc2c1CNC(=O)[C@H](C)NC(N)=O 69615379 HZYUZCXBTIUQCP-QMMMGPOBSA-N 335.385 1.361 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCc2ccccc2Cn2ccnc2)C1 32938756 SRVDPPDRZOLULI-INIZCTEOSA-N 341.415 1.338 0 40 EDAB COCCNC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 8301042 MJBATNMHAHJJMS-ZDUSSCGKSA-N 328.434 1.221 0 40 EDAB Cc1nnc(CN(C)[C@H]2CCN(CCOc3ccccc3F)C2)n1C 89736011 ZELPXDOUSHKCNV-HNNXBMFYSA-N 347.438 1.848 0 40 EDAB CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2Cl)CC1 33002024 UIGMJTFJEAMLIQ-CQSZACIVSA-N 338.839 1.682 0 40 EDAB Cc1ccc2nc(C)c(C(=O)O[C@H](C)C(=O)N3CCNC3=O)cc2c1 22019833 GYVOCLPZXGHSAZ-GFCCVEGCSA-N 341.367 1.949 0 40 EDAB Cc1ccn(CC(=O)Nc2cc(-n3nnnc3C)ccc2F)c(=O)c1 89700606 SIZKWLLHDINHRT-UHFFFAOYSA-N 342.334 1.219 0 40 EDAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCNC(=O)C1 89891147 RVDWGFLWXHOFHF-UHFFFAOYSA-N 341.415 1.637 0 40 EDAB O=C(CNCC1CCN(CCO)CC1)N1CCC[C@H]2CCCC[C@@H]21 89818633 XQTMIRISSBTASP-MSOLQXFVSA-N 337.508 1.462 0 40 EDAB CN(C)c1ncccc1CNC(=O)C[C@H](NC(N)=O)c1ccccc1 43051235 CFDZSTPGDSYWPJ-HNNXBMFYSA-N 341.415 1.564 0 40 EDAB Cn1cc([C@H](O)CNC(=O)Nc2ccnn2C2CCCCC2)cn1 76070231 MBGKLLJNTJECTF-CQSZACIVSA-N 332.408 1.977 0 40 EDAB COc1cc(C(=O)N[C@H]2CCOC2)cc(OC)c1Br 83921267 VMWRKIHFUILXMK-VIFPVBQESA-N 330.178 1.985 0 40 EDAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cc(C2CC2)on1 25581269 AYJBNSCBZUAUTB-UHFFFAOYSA-N 328.372 1.714 0 40 EDAB C[C@H](CN1CCOCC1)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 110705482 NSSYUFCAJSNTCA-CHWSQXEVSA-N 337.386 1.098 0 40 EDAB CCN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H](C)c1cc2ccccc2o1 56277938 BSKDKAMYQKVUKC-GFCCVEGCSA-N 341.367 1.893 0 40 EDAB C[C@H](CNC(=O)NCc1nc2ccccc2s1)N1CCOCC1 47957343 PWPYODKUASZHPZ-GFCCVEGCSA-N 334.445 1.816 0 40 EDAB Cn1nc(C(=O)/N=c2/sccn2Cc2ccccc2F)ccc1=O 26385506 GRWSSSXQJQCWFW-FBMGVBCBSA-N 344.371 1.572 0 40 EDAB COC(=O)CNC(=O)Nc1c(-c2ccccc2)c[nH]c1C(=O)OC 57519837 RRFSRMBGCDWRRZ-UHFFFAOYSA-N 331.328 1.763 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 3296437 IVKGDDMNFZIGQU-UHFFFAOYSA-N 335.337 1.592 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccon3)C2)nc1 76314337 KFNQLZLKUJTQOI-ZDUSSCGKSA-N 328.372 1.798 0 40 EDAB C[C@@H](C(=O)OCC(=O)NC1CCCC1)N1C(=O)c2ccccc2C1=O 3286255 MDTYMTNHGHHGMM-NSHDSACASA-N 344.367 1.273 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)c1cccc(S(C)(=O)=O)c1 58014161 BIFMWWURJHBFBT-UHFFFAOYSA-N 342.417 1.345 0 40 EDAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)cc1 58160677 UFAHGAFDXOLUAQ-OAHLLOKOSA-N 345.443 1.259 0 40 EDAB CC1CCN([C@H](C)CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 58172210 JHZFNQJQQWIFBV-IAGOWNOFSA-N 345.491 1.930 0 40 EDAB COc1cccc(CN(C)C(=O)[C@H]2CCCN2S(C)(=O)=O)c1 44873911 GKRKKFFHTUIGJX-CQSZACIVSA-N 326.418 1.078 0 40 EDAB C[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3CS2(=O)=O)C1 58282597 ODMJLDHAGZDFMJ-GFCCVEGCSA-N 336.413 1.231 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccnc1-n1cncn1 58283272 ISXJXIRYYXWLFG-UHFFFAOYSA-N 337.339 1.962 0 40 EDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(N)=O)cc1 12604873 KUWAPAHTAZDGED-UHFFFAOYSA-N 334.353 1.373 0 40 EDAB C[C@H](O)CNC(=O)C1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 44950986 RQZKJWCXPZECBA-NWDGAFQWSA-N 338.452 1.637 0 40 EDAB O=C(NCCCn1cccn1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 44913759 LETSLLYXPKUZMS-LBPRGKRZSA-N 348.353 1.721 0 40 EDAB C[C@@H]1CN(c2ccc(Nc3ccc4nnnn4n3)cn2)C[C@@H](C)O1 44976409 ABYSHDAIAIDKET-GHMZBOCLSA-N 326.364 1.272 0 40 EDAB O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 81767373 HGTXKOHNESQEFS-USXIJHARSA-N 328.412 1.592 0 40 EDAB O=C(Nn1cnnc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 3307220 CRENJHCKXNJUMC-UHFFFAOYSA-N 343.368 1.463 0 40 EDAB CS(=O)(=O)Cc1ccc(NC(=O)NCCc2ccccn2)cc1 58461583 OBTGVEXLPUCKPQ-UHFFFAOYSA-N 333.413 1.990 0 40 EDAB CC1(C)CC(NC(=O)c2ccc3c(O)n[nH]c(=O)c3c2)CC(C)(C)N1 12753906 ZFHCGKIMIXDOKU-UHFFFAOYSA-N 344.415 1.668 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)NCCCc2ccccc2)CC1 12983805 JBUOWDXCQFXDAA-UHFFFAOYSA-N 339.461 1.342 0 40 EDAB O=C(CCc1nc(-c2ccco2)no1)NCCNC(=O)c1ccco1 13012601 KQXYXVUQGPMROQ-UHFFFAOYSA-N 344.327 1.401 0 40 EDAB O=C(CCn1cncn1)NCCc1ccc(F)c(Br)c1 49315178 AOTQAIPXXSCJEH-UHFFFAOYSA-N 341.184 1.929 0 40 EDAB C[C@@H](Cn1cccn1)NCc1nc(-c2ccc3c(c2)OCO3)no1 69437169 NFBTUZMTVHNDOB-NSHDSACASA-N 327.344 1.840 0 40 EDAB C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 69486865 DVAWFHVGHOKBFC-SFHVURJKSA-N 344.415 1.688 0 40 EDAB CS(=O)(=O)NCC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 49431936 MIAHRLIAVXXHPK-UHFFFAOYSA-N 337.228 1.648 0 40 EDAB Cn1cc(-c2cnc3c(N4CCN(C5CCC5)CC4)nccn23)cn1 306124386 BOBWMYYMKPWEJO-UHFFFAOYSA-N 337.431 1.804 0 40 EDAB Cc1ccc(-c2noc(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1 17637936 VDDNOYBHBRTOJG-CYBMUJFWSA-N 349.412 1.281 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)N(C)Cc2ccc(C)o2)n1 69738310 HUGWJFHWZWOVGJ-MRXNPFEDSA-N 345.447 1.919 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1C 49959214 HUXQRBAHLWEQBX-HNNXBMFYSA-N 342.417 1.115 0 40 EDAB O=C(Nn1cnc2ccccc2c1=O)c1n[nH]c(=O)c2ccccc12 17848429 LBPGJGWSOOTDTO-UHFFFAOYSA-N 333.307 1.017 0 40 EDAB C[C@H](c1ccccc1F)N1CCN(C(=O)CCn2cncn2)CC1 69847963 YWNURIRLLWSZLE-CQSZACIVSA-N 331.395 1.713 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1c(C)oc3ncn(C)c(=O)c13)C2 65458640 WATIRWLKXATHDI-LLVKDONJSA-N 341.371 1.085 0 40 EDAB COc1cccc(N2C[C@H](C(=O)NCCN(C)C3CC3)CC2=O)c1 65403141 KAPPJSFQVHKQBI-CYBMUJFWSA-N 331.416 1.259 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCCN2C[C@H](O)COCc2ccco2)n1 69872939 ZORIFTXSKPKINV-IRXDYDNUSA-N 348.447 1.920 0 40 EDAB CCc1nc(NC(=O)CN2CCN(CCOC)CC2)sc1C 69814978 HBFBYZCSAXXVRJ-UHFFFAOYSA-N 326.466 1.216 0 40 EDAB O=C([C@H]1CSCN1S(=O)(=O)c1ccccc1)N1CCCC1 65553665 PPAMTPALPAKWMM-CYBMUJFWSA-N 326.443 1.373 0 40 EDAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)N(CCO)CC1CC1 65566051 PNGMVYLKJDZPLX-UHFFFAOYSA-N 342.403 1.911 0 40 EDAB CCO[C@@H](CC)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 65586942 WLXAOUDXYFSWDL-KRWDZBQOSA-N 347.459 1.657 0 40 EDAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCCc1nnc2ccccn12 65609920 ADMYYMLMCVUHDO-KGLIPLIRSA-N 332.404 1.362 0 40 EDAB O=C1CCN(C(=O)/C=C/c2ccc(N3CCCC3=O)cc2)CCN1 65902734 WCJXHZGXSZLMIX-VMPITWQZSA-N 327.384 1.175 0 40 EDAB Cn1c(Cc2cccs2)nnc1SCC(=O)N1CCNC1=O 5579452 BQQZMSMRLXWYEW-UHFFFAOYSA-N 337.430 1.111 0 40 EDAB CN1CCN(c2ncc(CN3C(=O)c4ccccc4C3=O)s2)CC1 5698898 XNSRXAUWMPBTPF-UHFFFAOYSA-N 342.424 1.691 0 40 EDAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(S(C)(=O)=O)CC2 6938458 LTTWXDLWHAZEPX-LLVKDONJSA-N 329.374 1.037 0 40 EDAB COc1cc(F)ccc1NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 67564697 DVGCXFOFCPYYGX-NSHDSACASA-N 345.396 1.380 0 40 EDAB CCn1ccnc1CN1CCC[C@H](CNC(=O)C2(N)CCCC2)C1 67650703 DZYPZTDUFVHJHG-OAHLLOKOSA-N 333.480 1.503 0 40 EDAB O=S(=O)(c1cccc(F)c1F)N1CCN(C2CCOCC2)CC1 80826408 NWQVNVUIKLIVDD-UHFFFAOYSA-N 346.399 1.450 0 40 EDAB CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CCS1(=O)=O 96462358 PPKAGYUKQWEWEU-UONOGXRCSA-N 325.405 1.965 0 40 EDAB CN(CC(=O)NCc1cccs1)[C@H]1CCCN(c2cccnn2)C1 71859729 GKELSYYDEWLIEN-AWEZNQCLSA-N 345.472 1.755 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2ccc(C(N)=O)cc2)c1 71865687 AKQHNQQKXFBASG-MRXNPFEDSA-N 326.400 1.985 0 40 EDAB O=C(c1cnc2sccn2c1=O)N1CCCC[C@@H]1Cn1cccn1 71865102 NPMLEXHADQWSJZ-GFCCVEGCSA-N 343.412 1.647 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCN(c2ncnc3[nH]cnc23)CC1 71894354 ICSXNKMPJHQDGD-UHFFFAOYSA-N 348.370 1.192 0 40 EDAB COc1ccc(CN(C(=O)[C@@H]2C[C@H]2C)[C@@H]2CCS(=O)(=O)C2)cc1 71816282 BPQDYZBPBIVOIR-XNRPHZJLSA-N 337.441 1.867 0 40 EDAB COc1ccc(C)cc1[C@@H](C)NC(=O)NCCCN1C(=O)CCC1=O 71879657 FCPUAVYQEWKZNW-CYBMUJFWSA-N 347.415 1.903 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3Cc4cccc(F)c4O3)CCO2)n1 83829832 YOSGXRGXROJCFT-STQMWFEESA-N 346.362 1.410 0 40 EDAB CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NC[C@H](C)O 71922293 ZBLSEKMKBVZBMR-QMMMGPOBSA-N 340.401 1.238 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(CCn2nc(C)cc2C)C1 84104720 OBKWRIFXEQPLPL-INIZCTEOSA-N 346.435 1.314 0 40 EDAB COc1ccc(OCCNc2cc(N3CCC[C@H]3CO)ncn2)cc1 72276026 IPHCNQGXLOBHHJ-AWEZNQCLSA-N 344.415 1.937 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)NC1CCN(CC2CCCCC2)CC1 72270201 GZHFQFRREZUCDU-CQSZACIVSA-N 336.480 1.561 0 40 EDAB O=C(Nc1ccc(O)cc1F)[C@H](Cc1ccccc1)n1cnnn1 97098066 SZSAYTVKOCBIDD-HNNXBMFYSA-N 327.319 1.940 0 40 EDAB Cc1cc(C(=O)NCCN2C(=O)CCC2=O)cc(C)c1OC(F)F 78702959 BCDYLYXKSRLYAQ-UHFFFAOYSA-N 340.326 1.784 0 40 EDAB Cc1noc([C@H]2COCCN2c2ncc(Br)cn2)n1 97108351 HFKOFALIBDEPPL-SECBINFHSA-N 326.154 1.508 0 40 EDAB COc1ccc(CCNC(=O)CN2CC[C@H](C)[C@H]2CO)cc1OC 97104500 OLFJVEGDCYEGDE-DZGCQCFKSA-N 336.432 1.065 0 40 EDAB CC(=O)N1CCc2nc(C)nc(N3CCN4CCC[C@@H]4C3)c2CC1 72480109 MBUWRYOANWBAFM-OAHLLOKOSA-N 329.448 1.017 0 40 EDAB C[C@H](O)CC(C)(C)CNC(=O)NCc1cccc(-n2cncn2)c1 78942191 CJIVTGBLBDBQRC-ZDUSSCGKSA-N 331.420 1.864 0 40 EDAB CN1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2O)CCC1=O 84404242 VZCHQZIUARZOPY-LLVKDONJSA-N 332.335 1.068 0 40 EDAB CC(=O)N1c2ccc(S(=O)(=O)NCc3ccc[nH]3)cc2C[C@H]1C 72713602 IVLMNNATGPDTDZ-LLVKDONJSA-N 333.413 1.791 0 40 EDAB CCC(CC)c1cc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)on1 95409247 OVJLCHZBKWBCRW-CQSZACIVSA-N 339.436 1.343 0 40 EDAB CN(C)c1cccc(CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c1 98020600 RAZPWDRXXMVFJK-HZPDHXFCSA-N 330.432 1.705 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)n1nc(-c2ccco2)oc1=O 95990790 NBTHHMDICGCRNR-JTQLQIEISA-N 331.332 1.646 0 40 EDAB CN(C(=O)Cn1ncn2nccc2c1=O)C1C2CC3CC(C2)CC1C3 89334603 HVPPLRUQNKZTLF-UHFFFAOYSA-N 341.415 1.174 0 40 EDAB COc1cccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)c1 9908810 LWDXCZFDULEBFK-UHFFFAOYSA-N 326.360 1.513 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 89505766 BYGOWHVHVLXBJW-GWCFXTLKSA-N 333.436 1.030 0 40 EDAB CCC[C@@H](C)N1C[C@H](C(=O)N2CCC(c3nncn3C)CC2)CC1=O 75120914 RFLIYDZQHLOWKX-UKRRQHHQSA-N 347.463 1.558 0 40 EDAB COc1ccc([C@H]2NNC(=O)[C@@H]2NC(=O)c2ccc(Cl)cc2)cc1 409052270 GYSVYFKSEHLGKB-HUUCEWRRSA-N 345.786 1.823 0 40 EDAB CCCN1CCc2c(sc3c2c(NC[C@H](C)O)nc2nnnn23)C1 20519141 ZOHGIAHRYQXDAV-VIFPVBQESA-N 347.448 1.295 0 40 EDAB O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1cn(Cc2cccs2)nn1 516546168 VMZQCRZULPNNQP-DGCLKSJQSA-N 345.428 1.271 0 40 EDAB CC1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 77718171 QZJMWOOEMJMJLO-UHFFFAOYSA-N 331.351 1.603 0 40 EDAB Cc1cc(C(=O)NC[C@H]2CCCN2[C@H]2CCN(C3CCC3)C2=O)no1 1027743582 LTQPHEILNLNWBS-ZBFHGGJFSA-N 346.431 1.331 0 40 EDAB CC(=O)N1CCCN(c2cc([C@H]3CCN3C(C)=O)nc(C)n2)CC1 72387190 YYYDXRZQULWKSI-MRXNPFEDSA-N 331.420 1.137 0 40 EDAB NC[C@@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218036365 TVYBASPXJYIUKE-HLLBOEOZSA-N 331.393 1.656 0 40 EDAB COc1ccc2[nH]cc(CCNC(=O)CN3CSCC3=O)c2c1 79051110 HWWQHZPYGLVTOG-UHFFFAOYSA-N 333.413 1.368 0 40 EDAB O=C(NCCCn1ccnc1)[C@H]1CCC(=O)N1Cc1cccs1 72239752 RVFWOEAPFKHERE-CQSZACIVSA-N 332.429 1.642 0 40 EDAB O=C(CN1CCN(c2cccc(Br)c2)CC1)N1CCC1 284857280 UGUIAEKADSXQCY-UHFFFAOYSA-N 338.249 1.803 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)[C@H]2[C@H](C(=O)O)C2(C)C)CC1 71280456 WXHKVPWGQZXPDE-ZIAGYGMSSA-N 335.404 1.292 0 40 EDAB CN(C)[C@H](CNC(=O)CN1CCCNC1=O)c1c(F)cccc1F 79362580 XJUDWGXWGZAEAO-CYBMUJFWSA-N 340.374 1.099 0 40 EDAB Cc1cc(C(=O)NCCN2Cc3cc(Cl)ccc3OCC2=O)no1 225772071 BWFASRRVGDRISI-UHFFFAOYSA-N 349.774 1.787 0 40 EDAB O=C(O)COCCOCCOCCOCCOCc1ccccc1 196149168 INZJSUYNTDLKGK-UHFFFAOYSA-N 342.388 1.354 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C)[C@H]3CCCO3)cn2)CCO1 61881678 RLAKQBCNDOGYNO-IIAWOOMASA-N 348.447 1.673 0 40 EDAB CNCC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 195543717 GHPUTHDEAWTYLK-QMMMGPOBSA-N 339.193 1.896 0 40 EDAB O=C(O)c1nn(-c2ncccc2Br)nc1Br 89263462 LXXXICJQIFJOJL-UHFFFAOYSA-N 347.954 1.886 0 40 EDAB O=C(NC1CCOCC1)N[C@H](CN1C(=O)COC1=O)c1ccccc1 225637900 HWRBCOIRZGGMQJ-CQSZACIVSA-N 347.371 1.185 0 40 EDAB COc1cc(C)n(CCNC(=O)c2ccc(OC)c(F)c2)c(=O)c1 225616367 YHUFDLYTJYXLIC-UHFFFAOYSA-N 334.347 1.743 0 40 EDAB CO[C@]1(C(=O)O)CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 530170739 UQCJIKHIEYYUEG-GXTWGEPZSA-N 333.306 1.914 0 40 EDAB Cn1nnc2c1CCN(C(=O)CC1CC1)[C@H]2COCCN1CCCC1 96045314 FYONTEMEDZBYND-INIZCTEOSA-N 347.463 1.153 0 40 EDAB CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(Cc3cccc(F)c3)C[C@H]12 96185440 CDOQBGYZPAXHHS-BHYGNILZSA-N 335.423 1.934 0 40 EDAB CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2CC2CCOCC2)O1 96056407 KSXHGFYJJMJQNE-BRWVUGGUSA-N 340.464 1.140 0 40 EDAB O=C(NCc1cccnc1)C1=NO[C@]2(CCN(CC3CCC3)C2)C1 96074530 DDFZJAKPXHWVNY-GOSISDBHSA-N 328.416 1.719 0 40 EDAB O=C(CS(=O)(=O)C1CC1)N1CCCN(c2ccccc2F)CC1 578311818 JAONBWAXBRGCGL-UHFFFAOYSA-N 340.420 1.442 0 40 EDAB Cc1nc(CN2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)cs1 96050833 JTNYQOOFBVWVSS-INIZCTEOSA-N 329.429 1.871 0 40 EDAB Cc1nnc(N2C[C@H]3OC[C@@H](CC(=O)Nc4cccnc4)[C@H]3C2)s1 96209825 LUWJHAWLNSLKIF-MRVWCRGKSA-N 345.428 1.722 0 40 EDAB COc1cc(N2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)ncn1 96187127 ZPLPCFNYOCZQBP-VKJFTORMSA-N 342.399 1.833 0 40 EDAB CNC(=O)c1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)nn1 583615976 ZASAJMRUVCZITF-IINYFYTJSA-N 334.326 1.427 0 40 EDAB CN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)C1=O 96415490 PWKNQVZTINIEMX-YPMHNXCESA-N 338.358 1.073 0 40 EDAB O=C1N(Cc2ccncc2)CC[C@]12CCCN(S(=O)(=O)C1CC1)C2 96048692 WVGRIWIGCGMEJQ-KRWDZBQOSA-N 349.456 1.388 0 40 EDAB c1cnn(Cc2cnc3n2CCN(Cc2ccc4c(c2)OCO4)C3)c1 96201097 XFPWJNKHWKKVQT-UHFFFAOYSA-N 337.383 1.872 0 40 EDAB CCN1CCC[C@H]1CNC(=O)Cn1nc2c(cc1=O)CCCCC2 95478568 YMTHCKQTKZJHMW-HNNXBMFYSA-N 332.448 1.113 0 40 EDAB C[C@@H]1c2ncc(COc3cccnc3)n2CCN1S(=O)(=O)C1CC1 96109848 WAHJXPHOKKTBQO-GFCCVEGCSA-N 348.428 1.726 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)C(C)(C)C)C1 96244458 ZSSXEGPFMVWZBR-GOSISDBHSA-N 332.448 1.897 0 40 EDAB Cc1ccc(N2CCC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)nn1 96224643 OSTBDCOXNSUDAU-QGZVFWFLSA-N 326.404 1.542 0 40 EDAB Cn1nccc1CNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 96427127 XTBXQQKQZJIOAB-QGZVFWFLSA-N 328.416 1.327 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H]2CCn3nccc3C2)cc1F 244933151 CDRRMGUAAHFKAL-NSHDSACASA-N 339.392 1.714 0 40 EDAB COC[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 242581616 NZKHHVONYHOADD-TUAOUCFPSA-N 334.235 1.303 0 40 EDAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)Cc1ccsc1 257277474 NYCXNIKNOZAUMU-INIZCTEOSA-N 332.429 1.180 0 40 EDAB CC(=O)N1CCN(C(=O)c2cnn3cccnc23)C[C@H]1c1ccccc1 257328601 XGKDMKMYWXGTOT-KRWDZBQOSA-N 349.394 1.775 0 40 EDAB C[C@]1(O)CCN(C(=O)c2cccnc2O)C[C@@H]1Oc1ccccc1 257319807 VUCJNIJFCGRKCI-YJBOKZPZSA-N 328.368 1.832 0 40 EDAB CN(C)C[C@]1(O)CCCN(C(=O)c2[nH]nc3c2CCCCC3)CC1 257282621 OUNNNFWASDNNFJ-SFHVURJKSA-N 334.464 1.597 0 40 EDAB CN(C)[C@H]1CC2(CCN(C(=O)c3cscn3)CC2)OC[C@]1(C)O 257208302 BLNTUTQJIVNAGB-ZFWWWQNUSA-N 339.461 1.219 0 40 EDAB Cn1cncc1CC(=O)N1CCN(Cc2cccc3cccnc23)CC1 585082957 MXRGVGPWSUZTFY-UHFFFAOYSA-N 349.438 1.855 0 40 EDAB CS(=O)(=O)CCN1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 585091430 CMPSHQHMSIRJGF-MKXGPGLRSA-N 348.512 1.873 0 40 EDAB CC(=O)NCc1cnc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)[nH]1 257205151 AXWIUOWWPSGXQI-CQSZACIVSA-N 348.428 1.250 0 40 EDAB COc1cc(F)c(F)cc1NC(=O)NCc1nnc(O)n1C1CC1 585120097 QXLBVGCSTJSEFT-UHFFFAOYSA-N 339.302 1.927 0 40 EDAB C/C(=C\C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)CN1CCOCC1 585121579 SSAYOIXDGIJSPO-GSPCDJLXSA-N 349.475 1.030 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C(=O)CC1(CC(=O)O)CCCC1)C1CC1 585134409 RKVUERHQRPMAIJ-GFCCVEGCSA-N 345.461 1.836 0 40 EDAB CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@H](C)OCC(C)C 585113818 UCHTYOKRMQELNF-HEHGZKQESA-N 336.436 1.400 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ncccn3)CC2)C[C@H](O)C1(C)C 257253504 JZEUDMOIWILZMI-AWEZNQCLSA-N 346.431 1.091 0 40 EDAB O=S(=O)(c1ccccc1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257249481 JIOXOLZTRYWOCP-AWEZNQCLSA-N 349.412 1.205 0 40 EDAB CNc1nc([C@H]2CCN(C(=O)c3ccn(C)n3)C2)c2sccn12 257252174 JTUXBBULZMEMAS-JTQLQIEISA-N 330.417 1.801 0 40 EDAB Cc1ccc(CN2CCOC[C@@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257340894 ZHZNOTGEBQYIDW-CYBMUJFWSA-N 336.417 1.090 0 40 EDAB COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2O)c1 257234228 GSRRVVGNLIWNRF-BDXSIMOUSA-N 343.379 1.367 0 40 EDAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)CC1 257286873 PNKPTMSJBUMVDP-FRFSOERESA-N 344.459 1.991 0 40 EDAB CN(Cc1ccccc1Br)C(=O)Cn1cc(CO)nn1 52222597 WENGAGJVJKKAAF-UHFFFAOYSA-N 339.193 1.192 0 40 EDAB CCOc1ncccc1C(=O)N(C)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257341188 ZJFGTCHVSUWOSU-BRWVUGGUSA-N 347.459 1.930 0 40 EDAB O[C@@H]1[C@H]2C[C@@H]3[C@@H]4[C@@H]2C[C@H]([C@@H]4O)N(c2ccc(C(F)(F)F)cn2)[C@H]13 606445130 SGPWDFMZSANYFV-LTYXWUJPSA-N 326.318 1.665 0 40 EDAB COC(=O)Cn1cc(CCCNC(=O)c2ccc(Cl)cc2)nn1 1615545459 AMJAIMQDYRKYKG-UHFFFAOYSA-N 336.779 1.467 0 40 EDAB N[C@H]1CC12CCC(NC(=O)c1ccc3c(c1)C(=O)NCCO3)CC2 1615546565 OYRPEBKDIDARCC-KVIBHRHWSA-N 329.400 1.199 0 40 EDAB CN1CCn2nc(NS(=O)(=O)c3ccc4c(c3)CCC4)cc2C1=O 1615552981 UATWKVHYLOZHCZ-UHFFFAOYSA-N 346.412 1.258 0 40 EDAB CN(CC1CC1)c1nnnn1Cc1ccc(C(=O)N2CCCC2)cc1 1616032396 NBXPXEDELMXGGC-UHFFFAOYSA-N 340.431 1.804 0 40 EDAB CS(C)(=O)=Nc1ccccc1NS(=O)(=O)C[C@@H]1CCCO1 1616031379 UBZURTOUTBOVTG-NSHDSACASA-N 332.447 1.966 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ncncc2C1 96122864 IQRLETMWLCPEJU-UHFFFAOYSA-N 339.804 1.886 0 40 EDAB CCn1cnc2c(N3CCN(Cc4csc(C)n4)CC3)ncnc21 299632296 QYXQHLGUGIROGT-UHFFFAOYSA-N 343.460 1.933 0 40 EDAB O=C(c1cccc(O)c1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575404082 MDAMCYOJWLUURE-OAHLLOKOSA-N 341.367 1.635 0 40 EDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)CCOc2ccccc2)C1 585278098 LPAYTCFFHMGYQM-SFHVURJKSA-N 334.416 1.335 0 40 EDAB O=C(N1CCCn2nnc(COc3ccccn3)c2C1)C1(F)CC1 585110524 CSCWNDFCJFUKKE-UHFFFAOYSA-N 331.351 1.487 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCOC1CCCCC1 43752804 IXYZGPDJSHXMPU-HNNXBMFYSA-N 346.493 1.656 0 40 EDAB Cc1nnc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)s1 48237455 SIZORQJBIQKAQH-JTQLQIEISA-N 335.311 1.359 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CC(=O)NCc3cccs3)CC2)n1 69348171 RHNSXCXNNAEHOL-GFCCVEGCSA-N 349.460 1.435 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CC[C@H](c3ccccc3C)C2)CC1 69588665 PAVSADAZABSCBX-KRWDZBQOSA-N 329.444 1.475 0 40 EDAB CNC(=O)CN1CCC(NC(=O)NCc2cc3ccccc3[nH]2)CC1 58559190 XPPILSZAJWEMMH-UHFFFAOYSA-N 343.431 1.178 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2nn(C)c(=O)c3ccccc23)cn1 71796987 FAFUEFXSOYTDAG-HNNXBMFYSA-N 337.383 1.644 0 40 EDAB O=C([C@H]1CC(=O)N(c2nccs2)C1)N1CCC(c2nc[nH]n2)CC1 82977554 OOCVUILSZBCMKN-NSHDSACASA-N 346.416 1.020 0 40 EDAB COc1cccc2c(C)c(C(=O)N3CC(N4CCNC4=O)C3)oc12 1615575850 RWEPMVXGNJYKDO-UHFFFAOYSA-N 329.356 1.599 0 40 EDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCCCCC3)ccc21 11615475 OZQBPYUJQWDZGA-UHFFFAOYSA-N 337.445 1.878 0 40 EDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 13147237 GENUUNAQQVCPOX-FZKCQIBNSA-N 327.336 1.731 0 40 EDAB O=C1C[C@@H](N2CCCC[C@H]2CCO)C(=O)N1c1ccc2c(c1)OCO2 17072070 WTBPWODZGGDVRU-GXTWGEPZSA-N 346.383 1.284 0 40 EDAB O=C(O)[C@@H](NCCN[C@H](C(=O)O)c1ccccc1)c1ccccc1 19366198 JSKWOMPZZNQFJD-HOTGVXAUSA-N 328.368 1.817 0 40 EDAB O=C(NCCn1nc([C@@H]2CCNC2)c2cccnc21)c1ccccc1 19369069 FTGGASWWFKBJHL-OAHLLOKOSA-N 335.411 1.938 0 40 EDAB CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(CC)CC1 19502125 VQMITMDPZCWEEE-JKSUJKDBSA-N 336.484 1.721 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)COc2ccc3c(c2)CCCC3)[C@@H]1O 643585156 MUMBLSVDLMSNJZ-SUMDDJOVSA-N 349.427 1.083 0 40 EDAB Cn1cc(C(=O)N2C[C@@H]3CCC[C@@]3(COc3ncc(F)cn3)C2)cn1 1888869528 MZPRCUOSCBOSIZ-GUYCJALGSA-N 345.378 1.671 0 40 EDAB O=S(=O)(N1CCCCCC1)N1CCN(Cc2ccncc2)CC1 23399869 UAVOXXCHPPQUCP-UHFFFAOYSA-N 338.477 1.320 0 40 EDAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cnccn1 29804742 SJCPGKZVWFJDFI-INIZCTEOSA-N 346.818 1.933 0 40 EDAB COc1ccc(OC[C@@H](O)Cn2c(=O)cnc3ccccc32)cc1 31560621 KYPSPABXMCVRHU-ZDUSSCGKSA-N 326.352 1.845 0 40 EDAB COCCCN1CCC[C@@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1 2056223635 XELUXQJJMNCHOJ-GOSISDBHSA-N 334.464 1.775 0 40 EDAB O=C(c1ccccc1)N1CCO[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 1565542834 WNBXVHANXHTMPQ-XLIONFOSSA-N 336.391 1.811 0 40 EDAB COc1ccccc1-c1csc(NC(=O)CN2C(=O)CCC2=O)n1 6175018 HFGMLCMDABSSGL-UHFFFAOYSA-N 345.380 1.906 0 40 EDAB CC[C@H](C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713818 OJKZJEQXAUOZFP-UONOGXRCSA-N 332.448 1.844 0 40 EDAB CC[C@H](C)CNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713816 OJKZJEQXAUOZFP-KBPBESRZSA-N 332.448 1.844 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(C)CC1 22999080 VUULOBZVIKNCDE-UHFFFAOYSA-N 339.823 1.745 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC[C@]2(O)C=CCCC2)cc1 618257449 WMFWSRANYICBCB-HNNXBMFYSA-N 325.386 1.223 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2cc(C)on2)cc1 30337781 WGNDRKLCKOEPDE-UHFFFAOYSA-N 337.401 1.440 0 40 EDAB C[C@@H](NC(=O)NCCNS(C)(=O)=O)c1cc2ccccc2o1 45651989 JZJOANSWQHHWLE-SNVBAGLBSA-N 325.390 1.342 0 40 EDAB Cc1noc([C@H](C)N2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)n1 45803157 IHWYQOUKJZVKFB-UPJWGTAASA-N 336.436 1.787 0 40 EDAB CCOc1ccc2[nH]c3c(=O)n(CCN4CCNCC4)cnc3c2c1 20503152 HVEUTRAMKXNFNR-UHFFFAOYSA-N 341.415 1.182 0 40 EDAB CCOC(=O)[C@@H]1Cc2c([nH]c(=O)[nH]c2=O)O[C@]1(C)c1ccccc1 1575189 SAIYLRKUDSGUIQ-YVEFUNNKSA-N 330.340 1.093 0 40 EDAB CCOC(=O)CNC(=O)CSc1nnc(Cc2ccccc2)n1C 4161290 IEIOHFKVLLNBSR-UHFFFAOYSA-N 348.428 1.177 0 40 EDAB C[C@@H]1CN(C(=O)c2cc3c(=O)n4ccccc4nc3n2C)C[C@@H](C)O1 387257 NSPQGTMMHPHNKP-VXGBXAGGSA-N 340.383 1.436 0 40 EDAB CC(C)Cc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1 6529106 FQRMJCXTBDCXQZ-UHFFFAOYSA-N 329.335 1.545 0 40 EDAB Cc1c(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)oc2ccc(F)cc12 32776192 MVSDPJNCAUPGBR-VIFPVBQESA-N 334.303 1.977 0 40 EDAB Cc1ccccc1C(=O)NCC(=O)N1CCN(c2ccccn2)CC1 102290692 BDIBRFJWUCKPGX-UHFFFAOYSA-N 338.411 1.469 0 40 EDAB CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(CCO)CC1 100832338 SPYRNWLNZNVRQZ-FAJBIJEISA-N 340.508 1.189 0 40 EDAB CCOC(=O)[C@@H](C)NC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 102309701 MOTDZRLAYRCFNR-SECBINFHSA-N 349.412 1.387 0 40 EDAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 100090900 RDCHQYFNINCDCX-KGLIPLIRSA-N 337.335 1.220 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)c2ccn(-c3ccccc3)n2)CC1 32963531 TXERXTCMMIBPGR-UHFFFAOYSA-N 348.428 1.026 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ccccn1)C2=O 16702697 ILWRPRGWNZZNGL-YVEFUNNKSA-N 331.372 1.626 0 40 EDAB CC(=O)N(CCc1ccccc1)CC(=O)NCCc1nc(C)no1 89721123 JNWAJSBHOMTNGK-UHFFFAOYSA-N 330.388 1.128 0 40 EDAB O=C(NN1CCCCC1=O)[C@@H]1CCCN1C(=O)Cc1cccs1 102641144 TUMKTUTXJPOLNZ-ZDUSSCGKSA-N 335.429 1.325 0 40 EDAB CCOc1ccnc2c1c(=O)n(Cc1ccccc1C)c(=O)n2C 9571920 QPPZIPBUOACJPC-UHFFFAOYSA-N 325.368 1.851 0 40 EDAB CNC(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1C 103176520 NWBPTDFNLBOFRH-AZHAFVHUSA-N 328.368 1.816 0 40 EDAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(F)c(F)c2)C1 57320229 BRJNUSMJPYGKQV-AAEUAGOBSA-N 340.370 1.968 0 40 EDAB Cc1noc(C2CCN(CC(=O)N3CCO[C@@H]4CCCC[C@H]43)CC2)n1 53619604 MUAUKCAEJBCSOI-HZPDHXFCSA-N 348.447 1.727 0 40 EDAB CC[C@]1(C(=O)OC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420157 ZGXVQNNROBNADB-LKQDWFRTSA-N 334.347 1.023 0 40 EDAB C[C@H](CC(=O)NCCCN1CCCC1=O)NC(=O)c1ccccc1 22626848 PRMVSYUNRNNICI-CQSZACIVSA-N 331.416 1.324 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@@H]1C[C@@H]1c1ccccc1 89827980 ANOPYIUCZCYIJX-BSDSXHPESA-N 329.444 1.953 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)C[C@@H]2OCCc3ccsc32)CC1 70040829 UFEWRILOWWTGHW-CABCVRRESA-N 338.473 1.667 0 40 EDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C1=COCCO1 100564140 BEJLLWYCSDDQRG-UHFFFAOYSA-N 337.372 1.768 0 40 EDAB Cc1ccnc(NC(=O)CN(C)CC(=O)N(C)Cc2ccco2)c1 69329024 PEHLBPVJTKSLCL-UHFFFAOYSA-N 330.388 1.512 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCC(C(=O)Nc2ccncc2)CC1)C(C)C 24703523 XLVBUUIZLXLJMP-INIZCTEOSA-N 346.431 1.419 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cc1C 69772363 RCRRBIQFIDFYBZ-HOTGVXAUSA-N 336.457 1.295 0 40 EDAB CCc1nnc2n1CCN(Cc1cc(=O)n3c(C)csc3n1)C2 69700273 OXFDPNSAGSRRAW-UHFFFAOYSA-N 330.417 1.234 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)C[C@@H]1Sc2ccccc2NC1=O 47931692 AKECZXJSJSZIOU-FZMZJTMJSA-N 330.413 1.891 0 40 EDAB NC(=O)Cc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1 24492288 HJDKNIKDUGZHSL-UHFFFAOYSA-N 328.353 1.036 0 40 EDAB Cc1c(Br)c(C(=O)NCCCn2ccnc2)nn1C 28222614 CJJUBTGAWQYWFD-UHFFFAOYSA-N 326.198 1.508 0 40 EDAB CCCCn1c(SCC(=O)c2ccc(NC(N)=O)cc2)n[nH]c1=O 26318887 HXEONCGHSTWCDV-UHFFFAOYSA-N 349.416 1.837 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC2(CC1)OCCO2 26934020 BTIVOGGOAWDXHB-UONOGXRCSA-N 339.436 1.230 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cccc(CN2CCCC2)c1 58283721 YOMKSZQSGQGZMB-OAHLLOKOSA-N 336.457 1.447 0 40 EDAB O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@@H]1CCCO1 44966152 XEZIOROOTOVENZ-HNNXBMFYSA-N 338.367 1.662 0 40 EDAB COc1ccccc1OCCNC(=O)C(=O)Nc1ccccc1O 44903201 MTQNQKHXALGVGH-UHFFFAOYSA-N 330.340 1.535 0 40 EDAB O=C(NCCCNc1ccccn1)N1CCN(c2ncccn2)CC1 44970680 RDGZUATTYJYFBU-UHFFFAOYSA-N 341.419 1.205 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(F)c(F)c1 44948391 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40 EDAB COCCCNC(=O)[C@H](C)NC(=O)N1CCn2c1nc1ccccc12 6662884 SYOALFYIEUACBM-LBPRGKRZSA-N 345.403 1.107 0 40 EDAB CCOc1ccc(N2C[C@H](C(=O)N[C@@H]3CCSC3=O)CC2=O)cc1 4732142 ALHUPTWCFFZPKQ-BXUZGUMPSA-N 348.424 1.587 0 40 EDAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)C1=NN(C)C(=O)CC1)CC2 6757034 XSUHGKKIKIBCQE-NSHDSACASA-N 345.399 1.758 0 40 EDAB O=C(O)[C@H]1CS[C@@H](c2cc3c(cc2Br)OCO3)N1 5730950 UDKXIQLKNNYCCI-XCBNKYQSSA-N 332.175 1.966 0 40 EDAB CN(CC(=O)Nc1ccc(F)cc1)c1nnnn1-c1ccccc1 8063530 QJYDGMOYIJMFSN-UHFFFAOYSA-N 326.335 1.876 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ncccn3)CC2)c1C 8190215 GVCGIHUAMRQUCU-UHFFFAOYSA-N 343.387 1.171 0 40 EDAB O[C@@H](COCc1ccc(Cl)cc1)Cn1nnnc1-c1ccccn1 66738055 PCSABGLKEKBTNU-CQSZACIVSA-N 345.790 1.966 0 40 EDAB CCC(=O)N1CSC[C@H]1C(=O)N(CCOC)Cc1ccccn1 69512022 UCQXKMMQFWGSSQ-AWEZNQCLSA-N 337.445 1.368 0 40 EDAB C[C@@H]1CN(CC(=O)N(C)Cc2ccco2)CCN1Cc1nccn1C 69571173 ULGCYSQCMYOBKJ-OAHLLOKOSA-N 345.447 1.178 0 40 EDAB CCn1ccnc1CN1CCN([C@@H](C)C(=O)Nc2cc(C)no2)CC1 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328.347 1.912 0 40 EDAB CCO[C@H]1C[C@@H]1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 71800799 RFCDMZDUWJVDKF-BBRMVZONSA-N 329.400 1.918 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)n1 71836486 ZGYINXGRXATJLW-CHWSQXEVSA-N 328.372 1.531 0 40 EDAB Cc1cc2occ(CC(=O)NCCNC(=O)c3ccn[nH]3)c2cc1C 97079918 NHJAZCAVAWUVDA-UHFFFAOYSA-N 340.383 1.861 0 40 EDAB CCCS(=O)(=O)NCc1ccccc1OS(=O)(=O)CCC 71924272 NYFUSZPVCGJRMB-UHFFFAOYSA-N 335.447 1.635 0 40 EDAB C[C@@H](Sc1nnc(C2CC2)o1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 9690843 KRPKANAKVJSNHY-PSASIEDQSA-N 345.446 1.073 0 40 EDAB CC(C)[C@H](NC(=O)NCCS(C)(=O)=O)c1nc2ccccc2[nH]1 76037703 DHFREGWNFAFKDX-ZDUSSCGKSA-N 338.433 1.604 0 40 EDAB Cn1cnn(CC(=O)N2CCC[C@@H]2[C@H]2CCCc3ccccc32)c1=O 97233884 DZRGEAUDEDVTAZ-DLBZAZTESA-N 340.427 1.693 0 40 EDAB Cc1ccc(C)c([C@@H](O)CN2CCC[C@H](CNS(C)(=O)=O)C2)c1 72577459 MULUICSTZRXUJI-WBVHZDCISA-N 340.489 1.598 0 40 EDAB O=C(CN1CCn2c(nnc2C2CC2)C1)N1CCCc2ccccc21 84581944 KMYHAFPUDXQLGL-UHFFFAOYSA-N 337.427 1.951 0 40 EDAB NC(=O)CCn1c(SCCn2cncn2)nnc1-c1cccs1 95450884 AWSVNULXUFYGOB-UHFFFAOYSA-N 349.445 1.266 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N(Cc1ccccc1)CC(F)F 95412798 LBOAMGXJONEASF-GFCCVEGCSA-N 332.372 1.650 0 40 EDAB CN(C)[C@@H](C(=O)N1CCN(C2CC2)C(=O)C1)c1c(F)cccc1F 95449926 WJSHHVJHRGPBFJ-MRXNPFEDSA-N 337.370 1.401 0 40 EDAB CC[C@](C)(CO)NC(=O)CS(=O)(=O)CCCc1ccccc1 95444527 DNXDNPCRGPIIFT-MRXNPFEDSA-N 327.446 1.311 0 40 EDAB CC(=O)NC[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2F)CCO1 95408965 FJKXLUOGUMJDMT-SNVBAGLBSA-N 348.296 1.822 0 40 EDAB COC(=O)c1ccc([C@H]2c3c(cc(C)oc3=O)O[C@@H]2C(=O)OC)cc1 85413656 CSVZLRFYXOSJBI-ZFWWWQNUSA-N 344.319 1.801 0 40 EDAB Cc1cccc(F)c1NC(=O)CSCC(=O)N1CCOCC1 95993530 OYPKUPLMQRIHEH-UHFFFAOYSA-N 326.393 1.665 0 40 EDAB CCOc1cc2c(cc1OCC)CN(C(=O)[C@@H]1CC(=O)N(C)C1)CC2 95948828 BBLLTBONEYTBPO-OAHLLOKOSA-N 346.427 1.847 0 40 EDAB Cc1nc(NC(=O)[C@H]2CCOC2)ccc1I 79023009 DDNQCOWEMSXRFI-QMMMGPOBSA-N 332.141 1.970 0 40 EDAB CNC(=O)C1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)CC1 89385989 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COc1ccccc1NC(=O)NCCCCN1CCC(C(N)=O)CC1 31093840 OHOQFSMBMXCNBQ-UHFFFAOYSA-N 348.447 1.794 0 40 EDAB CCOC(=O)C1(C(=O)OCC)NCC[C@@H]1c1ccc2c(c1)OCO2 31947156 CIIYITNROQRYQG-GFCCVEGCSA-N 335.356 1.357 0 40 EDAB Cn1ccc(-c2cc(C(=O)N3CCN(c4ncc[nH]4)CC3)n[nH]2)c1 565192768 ZJWWWBPXNUVEFW-UHFFFAOYSA-N 325.376 1.101 0 40 EDAB Cc1noc(C)c1CCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 78988784 GOLVZDQYADRHSS-LLVKDONJSA-N 348.325 1.296 0 40 EDAB COC(=O)[C@@H](CCSC)NC(=O)c1nc(SC)ncc1Cl 41156646 DEGPTJMQJGYQQE-MRVPVSSYSA-N 349.865 1.876 0 40 EDAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccn(C)n2)CC1=O 44873050 BBERHQKGUQCMHU-LBPRGKRZSA-N 328.372 1.729 0 40 EDAB COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 225191878 FVFVICPJTTYHNN-LBPRGKRZSA-N 328.434 1.622 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@@H]2CCCC[C@@H]21 40554306 XSFLNSIJAHMQOI-UONOGXRCSA-N 339.413 1.790 0 40 EDAB O=C(O)c1cn([C@H]2CCN(c3ccnc(C(F)(F)F)c3)C2)nn1 568077115 CZIUIFGGTLTZQC-VIFPVBQESA-N 327.266 1.842 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCCCc1ccccc1 48234261 SAWVKARZRJKSLC-UHFFFAOYSA-N 343.427 1.990 0 40 EDAB O=C(CNC(=O)c1c[nH]nc1-c1ccsc1)NCc1ccco1 225436140 VNPFIJFDNHBKPG-UHFFFAOYSA-N 330.369 1.777 0 40 EDAB Cc1ccc(NCCCNC(=O)Cn2nnc(-c3ccco3)n2)nc1 85383301 RYMANUXPKJYHAT-UHFFFAOYSA-N 341.375 1.255 0 40 EDAB Cc1cccc(CS(=O)(=O)N2CCN(CCn3cccn3)CC2)c1 75156486 ICDLNVASXQRUOJ-UHFFFAOYSA-N 348.472 1.339 0 40 EDAB Cn1cc([C@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)C(=O)O)cn1 325404137 HZDFMBJULCOXCC-HNNXBMFYSA-N 349.412 1.403 0 40 EDAB CN(C)CCNC(=O)CCn1nc(-c2ccc(F)cc2)ccc1=O 41254643 WLMCXJLHKOIFBC-UHFFFAOYSA-N 332.379 1.117 0 40 EDAB COCCO[C@@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1Cc1ccncc1 96200315 ABAQUDLNJISWKZ-IXDOHACOSA-N 334.416 1.293 0 40 EDAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)C1CCC1)C2 96238009 APHJOCBSLBHOAW-LJQANCHMSA-N 345.418 1.875 0 40 EDAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 98063877 LZMUKDFGKJKUTL-BARDWOONSA-N 342.395 1.461 0 40 EDAB CN(C)C(=O)CN1CCC(NC(=O)N2C[C@H]3CC=CC[C@@H]3C2)CC1 96440594 HVLCSRDBHQKEIK-HUUCEWRRSA-N 334.464 1.147 0 40 EDAB O=C([C@@H]1CCCOC1)N1CCN(c2nncc3ccccc23)CC1 96443702 OVPYTYUPGMFWNL-OAHLLOKOSA-N 326.400 1.705 0 40 EDAB Cc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C)on3)OCC(=O)N2C)cc1 96181545 DXSBVYGOAMODKP-HZPDHXFCSA-N 329.356 1.828 0 40 EDAB Cc1ccoc1C(=O)N1CCn2nnc(COc3cccnc3)c2C1 96084302 RNZPEIDXOIPBCX-UHFFFAOYSA-N 339.355 1.810 0 40 EDAB CCOC1CN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C1 334095000 QWJRTSJJZFMIMD-CABZTGNLSA-N 344.458 1.785 0 40 EDAB NC(=O)[C@@H](CCC(F)(F)F)NS(=O)(=O)c1ccc(Cl)cc1 95938302 AMDXQCHTJWVNGY-SECBINFHSA-N 344.742 1.815 0 40 EDAB COc1cccc([C@H](O)CN2CCN(c3cc(C)nc(C)n3)CC2)c1 96406577 UPAZLEHGIYYSSO-GOSISDBHSA-N 342.443 1.958 0 40 EDAB COc1ccc(-c2n[nH]cc2CN2CCN(C(=O)N(C)C)CC2)cc1 96489737 MUQJIJPPPDPDRH-UHFFFAOYSA-N 343.431 1.885 0 40 EDAB Cn1cccc1C(=O)N1CCCn2cnc(CN3CCCC3)c2C1 96084635 TYYRQNBDMBOCPV-UHFFFAOYSA-N 327.432 1.864 0 40 EDAB c1cnc(N2CCOC[C@@]3(CCCN(Cc4cccnc4)C3)C2)nc1 96049521 SQDHWHNKHONPST-LJQANCHMSA-N 339.443 1.991 0 40 EDAB O=C(NCC1CC1)[C@@H]1COC2(CCN(C(=O)c3ccno3)CC2)C1 96224884 KVEOZBBLQHHNKN-ZDUSSCGKSA-N 333.388 1.212 0 40 EDAB Cn1nnc2c1CCN(C(=O)Cc1cccs1)[C@H]2COCC1CC1 96068737 RWMCNMXGGIMASO-HNNXBMFYSA-N 346.456 1.972 0 40 EDAB CN1CC[C@@H](NC(=O)NCc2ccc(Br)cc2F)C1=O 96415509 DBIMWNBPMAGEBY-LLVKDONJSA-N 344.184 1.618 0 40 EDAB O=C(NCc1ccc(-n2cncn2)cc1)c1ccccc1-n1ccnn1 97371868 UUZFNADTFQEFHS-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB Cc1ccc(CS(=O)(=O)N2CCOC[C@]3(CCN(C)C3)C2)cc1 96201963 DYUGKXJRFRXHSH-KRWDZBQOSA-N 338.473 1.479 0 40 EDAB Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)c(C)o1 579149664 OQIMYEBNGVYLPX-SWLSCSKDSA-N 330.388 1.579 0 40 EDAB COC[C@H]1CN(C(=O)c2c(C)noc2C)Cc2nnn(CC3CC3)c21 96045591 NFGDTVFMPWMUTE-CYBMUJFWSA-N 345.403 1.679 0 40 EDAB COC[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cn(C)nc21 96044693 VLVHJXOWJGSUJP-CQSZACIVSA-N 343.383 1.464 0 40 EDAB CN1CCC(C)(CNC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)CC1 580092954 VNFSWUHGMUJTEB-FQEVSTJZSA-N 343.471 1.683 0 40 EDAB Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(N2CCCC2)nn1 97095798 SHLQJJVPQGKVJJ-INIZCTEOSA-N 341.415 1.629 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 583615418 HMUQJZZMMOWMIQ-ZLWRLAKOSA-N 346.406 1.601 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)COc2ccccc2F)CCO1 257298897 RNSVJKMAFHBVKW-AWEZNQCLSA-N 346.362 1.636 0 40 EDAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 257281519 OPPBUVODQOUPPV-GFCCVEGCSA-N 326.356 1.793 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257298494 RLYAKBZWKXIPKL-AWEZNQCLSA-N 340.387 1.844 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)O)C2)cc(C(=O)O)c1C 585122393 ZHXIDLGMIQPUPH-CHWSQXEVSA-N 341.429 1.783 0 40 EDAB CCn1cc(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)cn1 257284445 PCTCZGTXTXMSHI-QGZVFWFLSA-N 329.404 1.011 0 40 EDAB CC(C)(C)OC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](N)C(=O)O 87493203 HUGSUDASASBICX-RYUDHWBXSA-N 338.360 1.035 0 40 EDAB Cc1nn(C(C)C)cc1C(=O)N1CC2(CCN(C)CC2)[C@H]2COC[C@H]21 1615588438 GTPIOSLGJBMGIH-DLBZAZTESA-N 346.475 1.955 0 40 EDAB N[C@]12CC[C@H]1CN(C(=O)C1(n3cc(Br)cn3)CC1)C2 1615548732 ZRNZNSDBFHJKQR-CABZTGNLSA-N 325.210 1.084 0 40 EDAB CCCc1nnsc1C(=O)NCc1cn(-c2ccncc2)nn1 390830069 INGSURAOYBALFJ-UHFFFAOYSA-N 329.389 1.396 0 40 EDAB O=C(O)C[C@@]1(NS(=O)(=O)c2cccc(C(F)F)c2)CCOC1 1601938367 NPWUWXNVVADSBR-ZDUSSCGKSA-N 335.328 1.536 0 40 EDAB CNc1cnc(C(=O)N2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)nc1 585278752 FVNJQMGDMPPUAJ-CZUORRHYSA-N 344.390 1.723 0 40 EDAB CCOCC(=O)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1 585111077 CIMWWGUGUHPDTR-UHFFFAOYSA-N 339.346 1.563 0 40 EDAB Cc1n[nH]cc1-c1nnc(NC(=O)N(C)Cc2cn(C)nn2)s1 666831288 WHKRNCSQIXUHIE-UHFFFAOYSA-N 333.381 1.029 0 40 EDAB COc1ccc(CNC(=O)CN2CSCC2=O)c(C(F)(F)F)c1 69489071 KXLUKCMGYIHPON-UHFFFAOYSA-N 348.346 1.863 0 40 EDAB CCNC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 58208621 TUUPULILTFDEJH-MRXNPFEDSA-N 331.464 1.645 0 40 EDAB CN(c1cccnn1)C1CCN(C(=O)c2cccc3c2OCO3)CC1 69769216 NRMFQXBCCLRECV-UHFFFAOYSA-N 340.383 1.946 0 40 EDAB C[C@@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)N1CCCCC1 58357360 OTAFLXBAZFIRPF-GFCCVEGCSA-N 341.452 1.807 0 40 EDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NCC3CCCCC3)[C@H]3CO[C@@H]2O3)n1 952844779 IJKLACDSJFLFAZ-HSFUPAIVSA-N 335.448 1.696 0 40 EDAB biogenic,in-vitro CC(C)Oc1ccc(C(=O)N2CCN(c3nccs3)C(=O)C2)cn1 1565522168 JWGPZBQSZBGUEG-UHFFFAOYSA-N 346.412 1.814 0 40 EDAB COC(=O)[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)C(C)(C)C 75141152 RQNHHHAWPXMRJK-ZDUSSCGKSA-N 341.429 1.549 0 40 EDAB Cc1cc(Br)ccc1CNC(=O)c1nccnc1C(N)=O 81377794 CXYBVIHGECQNMG-UHFFFAOYSA-N 349.188 1.576 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)s1 96098225 TXJUZCJPDAQYHG-UHFFFAOYSA-N 337.488 1.508 0 40 EDAB Cc1nc(NC(=O)C2CCN(c3ccc(=O)n(C)n3)CC2)sc1C 85470933 XEESRMVMYYXDBX-UHFFFAOYSA-N 347.444 1.709 0 40 EDAB CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cn(CCN2CCOCC2)nn1 1615056422 XEJWHDPWUUPGMY-RDJZCZTQSA-N 349.479 1.651 0 40 EDAB CN(C)c1ccnc(CNC(=O)[C@@H]2NCCOc3ccccc32)c1 1615546127 JXAQCZVHDIRCLW-QGZVFWFLSA-N 326.400 1.487 0 40 EDAB OCC1(Cn2nc(I)c3ccccc32)COC1 1615614970 LIZDXMHMIPANGY-UHFFFAOYSA-N 344.152 1.650 0 40 EDAB C[C@@]1(c2ccc(F)cc2Br)NC(=O)N(CC(=O)O)C1=O 227198922 RMJJWLKZYDWPJX-LBPRGKRZSA-N 345.124 1.440 0 40 EDAB Cc1ccc(C(=O)N2CCOCC2)cc1N1CCCCS1(=O)=O 5439534 GIHBYXUENJQFMU-UHFFFAOYSA-N 338.429 1.397 0 40 EDAB O=C(CCn1cncn1)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 12086963 JMBVBEZRDLMSNM-OAHLLOKOSA-N 342.399 1.857 0 40 EDAB CN1C(=O)N(CC(=O)NCc2ccc(F)cc2)c2cccnc2N1C 12145115 JEWSFWHMFNHGDW-UHFFFAOYSA-N 343.362 1.760 0 40 EDAB C[C@@H]1Oc2ccc(S(=O)(=O)N[C@H](C)c3ccccn3)cc2NC1=O 12148078 YSLFQMISGQIBOE-MNOVXSKESA-N 347.396 1.841 0 40 EDAB Cc1ccc(Cl)cc1NC(=O)C[C@@H]1SC[C@@H](C(=O)O)NC1=O 13636935 CDRJXXJUFITDOF-QWRGUYRKSA-N 342.804 1.662 0 40 EDAB Cc1cc2nc([C@@H](C)NC(=O)c3cc(C4CC4)nn3C)cc(O)n2n1 19129762 FMYNDRHHJXZIRV-SNVBAGLBSA-N 340.387 1.845 0 40 EDAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1ccco1)CC2 19528311 AASVPRANMHOZQM-UHFFFAOYSA-N 340.383 1.877 0 40 EDAB CN(C)c1ncc(-c2ccncc2)c(CCNC(=O)[C@H]2CCCO2)n1 19585334 ZTSBHBVCESEXQM-MRXNPFEDSA-N 341.415 1.442 0 40 EDAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)Cc1ccccc1)C2 19707043 XLOKQNFQVNSQKT-HNNXBMFYSA-N 325.416 1.630 0 40 EDAB O=C1[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1C[C@H](O)C(F)(F)F 158516894 YCABOBLYACBKHH-UPJWGTAASA-N 342.317 1.027 0 40 EDAB COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCN(C)C[C@@H]2C)c1 107580629 LASNJVRZHMILJQ-UONOGXRCSA-N 335.448 1.517 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-n2cnnn2)cc1 6083589 NUHMQLVRZBTRJF-UHFFFAOYSA-N 347.338 1.011 0 40 EDAB CC(=O)N1c2ccc(S(=O)(=O)NCc3ccnn3C)cc2C[C@@H]1C 26823133 LHSIMJCQDOKOJG-NSHDSACASA-N 348.428 1.196 0 40 EDAB C[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)c1ccc(S(N)(=O)=O)cc1 31940245 BIHVQLSKSANYRN-SECBINFHSA-N 334.401 1.426 0 40 EDAB O=C(NCCc1ccccc1F)[C@H]1CC(=O)N(CC(F)(F)F)C1 32816216 YQONDZGZZUDTCO-NSHDSACASA-N 332.297 1.895 0 40 EDAB CCC(CC)CN1CCC[C@@]2(C1)CN(CCS(C)(=O)=O)C2=O 1614948467 KITZVLNAWPOGHZ-MRXNPFEDSA-N 330.494 1.392 0 40 EDAB COc1cc(C(=O)N2CCC3(CCCN3CCN(C)C)CC2)on1 1565544452 LHAGOGPJKHRWBP-UHFFFAOYSA-N 336.436 1.315 0 40 EDAB COc1cnccc1C(=O)N1C[C@H]2CN(c3ccoc3)C(=O)[C@H]2C1 1565549684 ZICAUNJKISCJEP-FZMZJTMJSA-N 327.340 1.418 0 40 EDAB CC(C)S(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCC1 4304862 CZTVZFABOBZDBH-UHFFFAOYSA-N 335.429 1.841 0 40 EDAB O=C(NC[C@@H]1CCCO1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374290 ONKBFRNXKVIWHD-JSGCOSHPSA-N 337.807 1.924 0 40 EDAB C[C@@H](NC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1)c1ccccc1 4941498 UPAPMWIOURNASK-HIFRSBDPSA-N 332.400 1.666 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 4941295 QCSXMTCUJAKJGN-OAHLLOKOSA-N 348.399 1.826 0 40 EDAB O=C(NCc1cccnc1)c1nnc2n(c1=O)CCN2c1ccccc1 12233582 DAXNJXBJZATNKT-UHFFFAOYSA-N 348.366 1.115 0 40 EDAB Cc1ccc(CN[C@@H]2CCc3onc(CNS(C)(=O)=O)c3C2)cc1 2055729868 VUYWJKPZYBPWAK-CQSZACIVSA-N 349.456 1.679 0 40 EDAB COc1ncccc1C(=O)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O 44226030 FHVXWCGGWPAHIT-NEPJUHHUSA-N 349.412 1.827 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)s1 49983283 URJNLWJKMQSNPK-UHFFFAOYSA-N 340.474 1.260 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncccn3)C2)cc1 575609973 DFZMJTNCNKCVKX-CQSZACIVSA-N 347.396 1.521 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)COCc2ccccc2)C1 225387509 WHKRTXCFNOMZLD-HNNXBMFYSA-N 343.383 1.682 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)c1cc(Br)cnc1Cl 50045017 WPIVLDCREXXOTE-UHFFFAOYSA-N 346.612 1.848 0 40 EDAB C[C@@H]1CN(CCCNC(=O)c2ccnc(-n3ccnc3)c2)C[C@@H](C)O1 50170850 KXXCIJJCLCCLFS-HUUCEWRRSA-N 343.431 1.496 0 40 EDAB Cc1ccc(C)c(N(CC(=O)NC2CC2)S(=O)(=O)N(C)C)c1 20244727 LJQGKZHCJIYOIK-UHFFFAOYSA-N 325.434 1.195 0 40 EDAB CC1CCN(S(=O)(=O)NCCc2ccc(-n3cccn3)cc2)CC1 40496162 LXKYCTHOYVGDHL-UHFFFAOYSA-N 348.472 1.981 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)cc1Cl 40527162 MNQJDJUKQAGRED-NSHDSACASA-N 332.809 1.296 0 40 EDAB O=C(NCc1ccnc(-n2cccn2)c1)[C@H]1CC(=O)N(CC2CC2)C1 40510793 HPLHZWWWVPRSPP-HNNXBMFYSA-N 339.399 1.142 0 40 EDAB Cn1c(=O)ccn(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)c1=O 40553990 OAYJTSAHFFWTBI-SFHVURJKSA-N 341.411 1.595 0 40 EDAB NC(=O)C1CCN(C(=O)COc2ccccc2C(F)(F)F)CC1 45934470 GYEXCPBENZENIC-UHFFFAOYSA-N 330.306 1.808 0 40 EDAB COc1ccc(CCN2C[C@H](C(=O)NC(C)C)CC2=O)cc1OC 220488 CPIJSAMWFYBDMF-CQSZACIVSA-N 334.416 1.619 0 40 EDAB CCOC(=O)c1cn(CC(=O)NC(C)C)c2nc(C)ccc2c1=O 20986484 KFWGXINWDAZHNX-UHFFFAOYSA-N 331.372 1.406 0 40 EDAB O=c1c(NCc2ccco2)c(NC[C@H]2COc3ccccc3O2)c1=O 101695291 QQKKTWPJGQOWKY-LBPRGKRZSA-N 340.335 1.740 0 40 EDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O 4514526 GIUGRFOIZILDOL-SFHVURJKSA-N 347.390 1.995 0 40 EDAB Cc1cc(OCC(=O)NCCNC(=O)c2cnccn2)ccc1Cl 7871456 CPJIFFWYFZPCAI-UHFFFAOYSA-N 348.790 1.363 0 40 EDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1 7915853 CPEHENWAFZOZNT-ZDUSSCGKSA-N 330.837 1.075 0 40 EDAB COCCn1cc(NC(=O)NCCN2CCc3ccccc3C2)cn1 46281434 OAQXWOUECADEIQ-UHFFFAOYSA-N 343.431 1.709 0 40 EDAB Cc1cccc(CCNC(=O)CS[C@H]2CCS(=O)(=O)C2)c1 60324426 FDPNPXUQLYKHSZ-AWEZNQCLSA-N 327.471 1.574 0 40 EDAB CN1N=C(C(=O)Nc2cc(-c3c(F)cccc3F)[nH]n2)CCC1=O 60363912 RGVGZPYKXDWVNA-UHFFFAOYSA-N 333.298 1.902 0 40 EDAB CN(c1ccccc1C(=O)NCCCN1CCCC1)S(C)(=O)=O 10450126 KXCAPMJNXSLLEY-UHFFFAOYSA-N 339.461 1.298 0 40 EDAB C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102010831 FHJCMIABCTVYDC-MXYBEHONSA-N 328.478 1.599 0 40 EDAB COCCNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 2656166 MOXVVNKUFZYOEQ-UHFFFAOYSA-N 338.179 1.072 0 40 EDAB COC(=O)c1ccccc1NC(=O)CSc1nc(O)nnc1C 11990605 DSCPKULNAWKTJV-UHFFFAOYSA-N 334.357 1.403 0 40 EDAB O=c1[nH]c2ccccc2c(=O)n1CC1(N2CCOCC2)CCCCC1 29871996 FFDZLIIMFQGYGQ-UHFFFAOYSA-N 343.427 1.725 0 40 EDAB CC(=O)N1c2ccc(Br)cc2C2=NNC(S)=N[C@]21O 2491353 WCJGFZBRXJKAAD-LLVKDONJSA-N 341.190 1.055 0 40 EDAB COc1ccc([C@H](NC(=O)CN2CCCS2(=O)=O)C2CC2)cc1 83937859 LIYAPFZYJHFBIR-MRXNPFEDSA-N 338.429 1.298 0 40 EDAB CN(Cc1ccsc1)C(=O)Cn1nnn(-c2cccs2)c1=O 29974859 QYVSLDFUNYUNIV-UHFFFAOYSA-N 335.414 1.211 0 40 EDAB CC(C)CN1C[C@@H](C(=O)Nc2ccc(-n3ccnc3)nc2)CC1=O 29902197 FZLODDBEFGCVSU-ZDUSSCGKSA-N 327.388 1.710 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCc2ccc(Cn3cccn3)cc2)C1 33006730 AXANRVZEJQBUED-INIZCTEOSA-N 341.415 1.338 0 40 EDAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccnc2)c1C 33145353 YDJNFVGFTCHZGL-UHFFFAOYSA-N 333.413 1.958 0 40 EDAB Cc1nc(CCNS(=O)(=O)c2cc(Cl)cnc2N)cs1 89712393 OHWJJRBIDZTIDB-UHFFFAOYSA-N 332.838 1.603 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 21820206 LYRGYEXGHQWNAO-VXGBXAGGSA-N 326.418 1.121 0 40 EDAB Cc1noc(C)c1NC(=S)NCCNC(=O)c1cc(C)n(C)n1 2741028 BNQHYNLRVJKMFQ-UHFFFAOYSA-N 336.421 1.050 0 40 EDAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)CC1 100746711 PNKPTMSJBUMVDP-UKPHBRMFSA-N 344.459 1.991 0 40 EDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCCN1CCOCC1 28227372 WURAUOKHATWNTJ-CYBMUJFWSA-N 336.388 1.021 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1csc(-c2ccc(C)o2)n1 29704238 VIFNBKRUUHOLCT-GFCCVEGCSA-N 349.412 1.575 0 40 EDAB COc1ccc(CN2CCN3C[C@H](OCCN(C)C)C[C@H]3C2)cc1 107197632 QCWCFTFPJQUDMU-PKOBYXMFSA-N 333.476 1.532 0 40 EDAB CC(=O)Nc1ccc(NCC(=O)N2CCNC2=O)c(C(F)(F)F)c1 29902751 RIPQCAQLGACDKD-UHFFFAOYSA-N 344.293 1.628 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)c1ccnc(-n2cncn2)c1 54675525 BHGSWIVONHIPMA-UHFFFAOYSA-N 337.339 1.364 0 40 EDAB C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1C[C@@H]2CC[C@@H]1C2 102010838 FHJCMIABCTVYDC-CTHBEMJXSA-N 328.478 1.599 0 40 EDAB Cc1nn(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(=O)c2ccccc12 54864820 ZHJJWJHBZIAEDC-CQSZACIVSA-N 347.440 1.314 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1C 105830545 RERYHNHFJIBFRI-UXIGCNINSA-N 328.434 1.996 0 40 EDAB CN(C)S(=O)(=O)N(CC(=O)N1CCCCC1)c1ccccc1F 20111059 FLFBCJJFMNMBTQ-UHFFFAOYSA-N 343.424 1.451 0 40 EDAB O=C([C@H]1CCOC1)N1CC[C@@]2(CCCN(Cc3ccccn3)C2)C1 107191518 UIVVIMRXKUMEGD-QFBILLFUSA-N 329.444 1.933 0 40 EDAB CN1CCN(c2ccc(Cl)cc2NC(=O)C2=COCCO2)CC1 24748320 XFZXVMWVPIXOEN-UHFFFAOYSA-N 337.807 1.919 0 40 EDAB Cc1cccc(OCCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1C 24861543 QRODOIOSEYGYKS-INIZCTEOSA-N 325.430 1.766 0 40 EDAB O=C1[C@H]2[C@H]3C(=O)[C@]4(Br)[C@@H]5[C@@H]3C[C@@H]2[C@H]5[C@@]14Br 104040287 DNSGPKOVZHUEHW-UBPZOHMASA-N 331.991 1.547 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)NCC[S@](=O)Cc1ccccc1 106796470 VXLSYUMSKAHCHW-LHSJRXKWSA-N 344.502 1.644 0 40 EDAB NC(=O)Cc1nc2ccccc2n1C[C@H](O)COCc1ccccc1 25265598 YVQRYDJIMBJNJQ-HNNXBMFYSA-N 339.395 1.642 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 106918621 TVFCYJLEENMTPM-RDGWCUKFSA-N 333.392 1.318 0 40 EDAB Cc1ccc(NCc2nnnn2-c2ccccc2)cc1-n1cnnn1 55836809 SYKIPWQHVMAVHW-UHFFFAOYSA-N 333.359 1.559 0 40 EDAB O=C(NCCN1CCCCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 34915897 OHTOKICCQCKOGP-QGZVFWFLSA-N 329.444 1.637 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccnc(N2CCCC2)c1 26000366 OUAFOVJFBGJIIW-CYBMUJFWSA-N 342.399 1.710 0 40 EDAB CCCCN(C)c1ncc(Cl)c(C(=O)N2CC[C@@H](C(N)=O)C2)n1 56877288 LDOWYKZEVDSFRG-SNVBAGLBSA-N 339.827 1.314 0 40 EDAB CN1CCN(C)[C@@H](CNC(=O)N(Cc2ccccc2)CC(F)F)C1 107519099 UTMGGQNPYAUYJM-HNNXBMFYSA-N 340.418 1.709 0 40 EDAB CC[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccs1 57242487 LWZIVWRQTWXPAP-GFCCVEGCSA-N 345.490 1.922 0 40 EDAB CC(C)(NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)C(N)=O 57255557 PKAXVLKWFOIPDO-UHFFFAOYSA-N 340.379 1.677 0 40 EDAB CCCn1c(=O)c2sccc2n(CC(=O)NCCC(C)C)c1=O 57478837 WIISHVKGIRUTEW-UHFFFAOYSA-N 337.445 1.797 0 40 EDAB CS(=O)(=O)NCCN1CCCCC[C@H]1C[C@@H](O)c1ccco1 108356133 PEMPGKZGNWTDRL-UONOGXRCSA-N 330.450 1.497 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 62001400 SFPIUGXABHDBCI-OLZOCXBDSA-N 349.412 1.261 0 40 EDAB biogenic CCOC(=O)CCNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 58015616 YLRDLQVUOILMHO-UHFFFAOYSA-N 341.751 1.746 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)[C@H](C)n3cncn3)CC2)cc1 27580729 GVKCCXKFVJEUOI-ZDUSSCGKSA-N 327.388 1.391 0 40 EDAB CN1CCN([C@H](CNC(=O)N2CCOCC2)c2cccs2)CC1 36089959 OEFJYCRMPAVJGG-CQSZACIVSA-N 338.477 1.078 0 40 EDAB Cc1ccc2cc(C(=O)N3CCC(N(C)S(C)(=O)=O)CC3)[nH]c2c1 58263911 XEUYXEMISYQAQO-UHFFFAOYSA-N 349.456 1.972 0 40 EDAB COc1ccc(N(C)C(=O)c2cccnc2N2CCOCC2)cn1 58269417 JYDBYUATOMWQSR-UHFFFAOYSA-N 328.372 1.598 0 40 EDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)[C@@H]1Cc2ccccc2O1 58289796 RKAUDOQGECCZLL-WMZOPIPTSA-N 348.468 1.314 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)NCC1(c2ccccc2C)CC1 58343163 OWMMIPAVSHTQQR-AWEZNQCLSA-N 335.473 1.933 0 40 EDAB Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)nn2C)cc1 10521188 OPEXNURBJLGOAO-UHFFFAOYSA-N 343.416 1.743 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cnc3ccsc3c2=O)C1 10768256 OHQBZIVTFAGRGS-LLVKDONJSA-N 349.412 1.260 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)c2nc3ncccn3n2)CC1 36618800 MRGLUBWKYOFSQW-UHFFFAOYSA-N 336.399 1.391 0 40 EDAB COc1ncccc1NC(=O)N1CCN(Cc2cccnc2)CC1 48324722 YPIQHQAFVRLFER-UHFFFAOYSA-N 327.388 1.835 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 69283705 JKIPGNDBJJUYOD-TZMCWYRMSA-N 343.435 1.548 0 40 EDAB C[C@@H](C(=O)NCCC1=CCCCC1)N1CCO[C@H](Cn2cncn2)C1 70038579 BHEIXGOQHKKLGK-RDJZCZTQSA-N 347.463 1.374 0 40 EDAB Cc1cc2nc(C)c(CCC(=O)N(C)c3cnn(C)c3)c(C)n2n1 173185740 WUNXVAAVAYONMM-UHFFFAOYSA-N 326.404 1.984 0 40 EDAB Cc1cccn2c(=O)cc(CN3CCO[C@H](Cn4cccn4)C3)nc12 69375416 ZZZYLPFFQHKPRW-INIZCTEOSA-N 339.399 1.100 0 40 EDAB COc1ccc([C@H]2C[C@@H]2C(=O)NCCN2CCN(C(C)=O)CC2)cc1 69349606 SENCRCQRQWHXTK-MSOLQXFVSA-N 345.443 1.079 0 40 EDAB CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1CN(C2CC2)CCO1)C(C)C 69740070 MNMMHKGGHAQSNY-NVXWUHKLSA-N 339.480 1.153 0 40 EDAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCN(CC(C)(C)O)CC2)cc1 69772112 FHRLTNAWJGVJKK-DLBZAZTESA-N 332.444 1.714 0 40 EDAB NS(=O)(=O)N1CCCN(Cc2ccc(F)c3cccnc23)CC1 69738939 QUQNXEGJGDVWNO-UHFFFAOYSA-N 338.408 1.085 0 40 EDAB O=C(C1CC=CC1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1cccnc1 306128242 GUYVNVNUHAHAAK-MOPGFXCFSA-N 341.455 1.892 0 40 EDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cnccn1 8343109 XZKUIXAQYPNTLK-UHFFFAOYSA-N 342.355 1.349 0 40 EDAB COCCCC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69463259 SOLZDVZMHTUHJS-UHFFFAOYSA-N 330.388 1.274 0 40 EDAB Cn1cc(-c2n[nH]c3c2C[C@H](C(=O)NCC2CCOCC2)CC3)cn1 306130902 JSHUEXXRBAXNBQ-CYBMUJFWSA-N 343.431 1.458 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 65423879 PWEAJQUOUACIEE-OLZOCXBDSA-N 343.449 1.324 0 40 EDAB C[C@@H]1CN(C(=O)CSc2nnc(-c3cccnc3)n2C)C[C@@H](C)O1 14093954 ZNVBVOZBTDQHEU-VXGBXAGGSA-N 347.444 1.605 0 40 EDAB CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(C)CC1 65541042 KKIPWFNRNUAUIQ-QAPCUYQASA-N 343.471 1.760 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-n2cccc2)c1 65566840 FICSTOHAFZDSCE-OAHLLOKOSA-N 333.413 1.840 0 40 EDAB C=C1c2ccccc2C(=O)N1CC(=O)N1CCN(c2ncccn2)CC1 14160735 GVZLANQIIVGGEV-UHFFFAOYSA-N 349.394 1.252 0 40 EDAB CC(=O)N1CCc2cc(NC(=O)CSc3nncn3C)ccc21 14180635 ARNGFZXLJQSDAR-UHFFFAOYSA-N 331.401 1.455 0 40 EDAB CCOC(=O)N1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 5451011 QIHNECHHSNPJQY-UHFFFAOYSA-N 330.388 1.796 0 40 EDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccccc2NC)CC1 5406845 CVGKZXAIQNXISK-UHFFFAOYSA-N 349.387 1.186 0 40 EDAB COC(=O)Cc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 5454143 FVCDVDZXLPGNPJ-UHFFFAOYSA-N 342.351 1.519 0 40 EDAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(=O)[nH]c1 18046811 RERKCZSMRPYMJQ-INIZCTEOSA-N 345.374 1.317 0 40 EDAB CCOC(=O)c1c(NC(=O)N(CCO)CCO)sc2c1CCC2 6669488 HZRIOAWDWBBDDY-UHFFFAOYSA-N 342.417 1.232 0 40 EDAB COc1cccc(N2CCN(C(=O)COC[C@@H]3CCOC3)CC2)c1 69921225 FDPCDPWWIZCKNG-OAHLLOKOSA-N 334.416 1.397 0 40 EDAB CC1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 8747115 LSZBYVQJEMCRFB-UHFFFAOYSA-N 331.459 1.730 0 40 EDAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)C2 90168454 RQWSXUYGWSJFJE-JTQLQIEISA-N 341.824 1.115 0 40 EDAB COc1ccccc1CCNC(=O)Cn1c(=O)oc2ccccc21 7291348 BPIHPRNVMPDEFF-UHFFFAOYSA-N 326.352 1.962 0 40 EDAB CNc1cc(N2CCC[C@@H]2CNc2ncnc3c2cnn3C)ncn1 71859443 LFNMAKIZNMJQHZ-LLVKDONJSA-N 339.407 1.276 0 40 EDAB C[C@@H](c1cccc(O)c1)N(C)CC(=O)N1CCN(C(=O)C2CC2)CC1 71897178 HXPKIDWXPOYKHI-AWEZNQCLSA-N 345.443 1.466 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCn2c(nnc2C2CC2)C1 71880298 XMBAVKVNGXZTEB-GFCCVEGCSA-N 343.435 1.776 0 40 EDAB CN(C)CC1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 71853865 ZZIRUEWOYASIHG-UHFFFAOYSA-N 346.406 1.336 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NNc2ncccn2)[C@@H]1c1cccc(Cl)c1 71908811 CTNFWHGDHAPTNO-OCCSQVGLSA-N 345.790 1.793 0 40 EDAB CCCCc1nnc(S[C@@H]2CCN(CC(F)(F)F)C2=O)n1N 76065390 UMBPEIASCGXNRF-MRVPVSSYSA-N 337.371 1.590 0 40 EDAB CC(C)Cc1nnc([C@H](C)N[C@H]2CCN(S(C)(=O)=O)C[C@H]2C)o1 76057101 AMILEJREWCWSNW-AGIUHOORSA-N 344.481 1.589 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3ncoc3[C@@H]3CCCO3)CCO2)n1 76045379 XVGJCGWQJJWXGB-QWRGUYRKSA-N 333.348 1.166 0 40 EDAB Cn1nc(C(=O)N2CC(OCc3cccc4ccccc34)C2)ccc1=O 76092387 OCBUGKLCEQPZSG-UHFFFAOYSA-N 349.390 1.975 0 40 EDAB Cc1cc([C@H]2CCCN(Cc3cccc(OCC(N)=O)c3)C2)n[nH]1 84111325 BAPJYOWQZJOHLS-HNNXBMFYSA-N 328.416 1.962 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C[C@H](O)CN1CCOCC1 72253986 ATQPTZKPIVYMAB-KGLIPLIRSA-N 342.871 1.212 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)c1ccc(O)c(Cl)c1 72275007 GETOWJJTRNAHRB-UHFFFAOYSA-N 346.836 1.495 0 40 EDAB CN1CCC[C@H](CNC(=O)CCCn2nnc(-c3ccccc3)n2)C1 72273292 ICAZRRYNQPMFDX-OAHLLOKOSA-N 342.447 1.578 0 40 EDAB COc1ccc(C(=O)N2C[C@H]3CCCC[C@H]3C2)cc1-n1cnnn1 97081368 NVNKXVXAIHMMSS-OKILXGFUSA-N 327.388 1.933 0 40 EDAB Cc1cncc(NC2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1 97049818 CKUBNOWQXUVHLT-UHFFFAOYSA-N 349.460 1.995 0 40 EDAB Cn1cc(/C=C/C(=O)OC/C=C/c2ccccc2)c(=O)n(C)c1=O 78342186 VVSXAVLAOZVDOU-GOKBKIRCSA-N 326.352 1.354 0 40 EDAB Cc1cnc(CN2CCN(Cc3ncc(C)o3)[C@H](C(=O)N(C)C)C2)o1 84259369 UDFXIUDLMZBDKH-AWEZNQCLSA-N 347.419 1.054 0 40 EDAB C[C@@]1(n2cc(CN3CCOc4ccccc43)cn2)CCS(=O)(=O)C1 97143295 OGIWYTBKNIPOTM-QGZVFWFLSA-N 347.440 1.816 0 40 EDAB CCOC(=O)C[C@H](c1oc(CO)cc(=O)c1O)c1c(C)noc1C 72324652 FOGWVGZCAOCTMS-NSHDSACASA-N 337.328 1.528 0 40 EDAB biogenic COCCNC(=O)c1ccc(NC[C@@H](c2ccco2)N(C)C)nc1 79029360 UDVPWHGLAHFVLI-AWEZNQCLSA-N 332.404 1.766 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1ccc(Cl)nc1 97601809 CJXRTZUJERJBIJ-VXGBXAGGSA-N 336.775 1.953 0 40 EDAB CCNC(=O)C1CCN(C(=O)[C@@]2(N(C)C)CCc3ccccc32)CC1 95394846 OWHYQSGPESYICI-HXUWFJFHSA-N 343.471 1.764 0 40 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UEZNRZBOVTWXFR-UHFFFAOYSA-N 338.437 1.625 0 40 EDAB O=C(O)CCCCCNS(=O)(=O)c1ccc2nc(O)oc2c1 20218856 LZGYFQCYPWTEIX-UHFFFAOYSA-N 328.346 1.457 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@H]2c2cc(C)on2)ccc1=O 31160653 WSVXFMWODVPAHL-AWEZNQCLSA-N 332.360 1.163 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1C[C@@H](O)c1ccc(Cl)cc1 40490091 OCTBPBTUVQYMMG-RISCZKNCSA-N 326.805 1.801 0 40 EDAB O=C1COc2ccc(S(=O)(=O)N[C@H]3CCc4ccccc43)cc2N1 40489773 OVLCIHXUHUPEQG-AWEZNQCLSA-N 344.392 1.983 0 40 EDAB CC(=O)Nc1ccc(C(=O)Cn2nnn(-c3ccccc3)c2=O)cc1 31764906 FBTCHBMWFNTYMO-UHFFFAOYSA-N 337.339 1.270 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)NC[C@H]3CCOC3)ccc2c1=O 40525118 MBIUAQTZZCQVEZ-LLVKDONJSA-N 331.372 1.037 0 40 EDAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(OC)cc1OC)C(=O)N2 31814037 KCVMKFVWORABQK-NSHDSACASA-N 345.359 1.380 0 40 EDAB O=C(OCc1ccc(S(=O)(=O)N2CCCC2)o1)C1(O)CCCC1 51177668 KHAKHUVDQOOGSD-UHFFFAOYSA-N 343.401 1.412 0 40 EDAB Cc1[nH]c2nc(C(=O)N3CCCC3)nn2c(=O)c1Cc1ccccc1 100905134 STLIIDRRJVRSEM-UHFFFAOYSA-N 337.383 1.553 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3CCCC3)C2=O)cc1 8734692 FLRAHSNOJHVMMT-GOSISDBHSA-N 345.399 1.521 0 40 EDAB CC1(C)[C@]2(C(=O)O[C@@H]3CCCN/C3=C/[N+](=O)[O-])CC[C@@]1(C)C(=O)O2 100939139 UUETUZDEZSKSSA-IPMJLEEMSA-N 338.360 1.522 0 40 EDAB COCc1ccccc1CNC(=O)CCn1nc2ccccn2c1=O 69628883 NWDXEASLRLDUIY-UHFFFAOYSA-N 340.383 1.349 0 40 EDAB CC(C)(C)NC(=O)Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O 51316924 SQSXFLTYJOIRTJ-UHFFFAOYSA-N 343.362 1.612 0 40 EDAB Cn1c(CNC(=O)CNC(=O)C2CCCCC2)nc2ccccc21 32748158 LQYWPARTTWOEHD-UHFFFAOYSA-N 328.416 1.886 0 40 EDAB C[C@H](C(=O)NCCOc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102240344 CILAUFMHMLKRKE-KBMXLJTQSA-N 342.395 1.521 0 40 EDAB Cc1noc(N)c1C(=O)OCCCCN1C(=O)c2ccccc2C1=O 32824142 XUXRCHSGXBMHBX-UHFFFAOYSA-N 343.339 1.798 0 40 EDAB CCCC[C@]1(c2ccccc2)NC(=O)N(CCS(C)(=O)=O)C1=O 53466051 NHLLLKNPQZISPG-MRXNPFEDSA-N 338.429 1.669 0 40 EDAB COc1cccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c1 879109 WBXZMKGJVAPOQM-UHFFFAOYSA-N 335.385 1.495 0 40 EDAB CN1CCc2nc(NC(=O)CCNC(=O)OC(C)(C)C)sc2C1 57885011 WENHFVJMXHLEIA-UHFFFAOYSA-N 340.449 1.984 0 40 EDAB COc1ccccc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12459488 WQKFTUGOXMTMAF-UHFFFAOYSA-N 339.351 1.727 0 40 EDAB CN(C)C(=O)C1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 24829002 PEJVIKOZHJAHCL-QGZVFWFLSA-N 329.444 1.807 0 40 EDAB O=C(Nc1ccccc1-n1cncn1)[C@@H]1CCCN(c2ncccn2)C1 25005994 PIDKQFTUSDFSEN-CQSZACIVSA-N 349.398 1.912 0 40 EDAB CS(=O)(=O)N[C@H]1CCOC2(CCN(Cc3ccco3)CC2)C1 108534773 LMQVWCBIJZXOEB-ZDUSSCGKSA-N 328.434 1.342 0 40 EDAB COC(=O)N1CCC(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1 57455749 GEXXYQKBMWSTFS-HNNXBMFYSA-N 331.372 1.527 0 40 EDAB Cc1ncc(CN2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)cn1 108529937 MLPBPFIOPJOFSQ-UHFFFAOYSA-N 340.431 1.303 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c1Cl 58023484 YZMVIAOZGANJQA-LLVKDONJSA-N 332.857 1.322 0 40 EDAB CCc1cc(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)[nH]n1 58172169 RYOJTNTUQDHSTD-UHFFFAOYSA-N 345.432 1.930 0 40 EDAB C[C@H](CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCCC1 58278110 QHAFWWMAXBFKRJ-CYBMUJFWSA-N 344.390 1.586 0 40 EDAB CC(C)OCCCNC(=O)CCN1C(=O)NC2(CCCCC2)C1=O 25712281 YAJNICUEEGHCBQ-UHFFFAOYSA-N 339.436 1.563 0 40 EDAB Cn1ccc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1=O 44954381 ZPKXBSMPVXFSEK-INIZCTEOSA-N 339.395 1.479 0 40 EDAB CNC(=O)CCN(C)S(=O)(=O)c1ccccc1Br 58341235 JAGIECHRERFAIG-UHFFFAOYSA-N 335.223 1.206 0 40 EDAB S=C(NCCN1CCOCC1)Nc1ccc(Br)cn1 27076319 RDIVLNHYWPZVCL-UHFFFAOYSA-N 345.266 1.463 0 40 EDAB COc1cc(C(=O)N[C@H](CCSC)C(=O)O)cc(OC)c1OC 3369629 FKXYMQMLJGBMRQ-SNVBAGLBSA-N 343.401 1.649 0 40 EDAB CCOc1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1Cl 12869806 UZZMOZOOHDXVIZ-UHFFFAOYSA-N 348.852 1.037 0 40 EDAB O=C(NCc1cccs1)[C@@H]1CN(CC2CC2)Cc2ncnn2C1 306142771 XJBZBPQOVCHRPT-CYBMUJFWSA-N 331.445 1.498 0 40 EDAB Cc1ccc(-c2nnc(SCC(=O)NC(=O)NC(C)C)n2N)cc1 3542285 SHYSPNXQSIAJHC-UHFFFAOYSA-N 348.432 1.294 0 40 EDAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NC(N)=O)cc3c2C1 3533384 LVSJEDUDDHICRK-VIFPVBQESA-N 329.356 1.644 0 40 EDAB Cc1c(CCC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c(C)c(O)ccc12 4062030 WHXLFNDHQHGOGO-JTQLQIEISA-N 333.340 1.637 0 40 EDAB biogenic CCOC(=O)Cc1nnc(NC(=O)COc2ccc(C)cc2)s1 4296040 DOWXYMBQDLYTJW-UHFFFAOYSA-N 335.385 1.970 0 40 EDAB aggregator C[C@H](CN1CCOCC1)NC(=O)NCc1ccc(-c2ccn[nH]2)cc1 65451889 FHDZBITYTYDPST-CQSZACIVSA-N 343.431 1.597 0 40 EDAB O=c1[nH]c(CN2CCOCC2)nc2c1cnn2Cc1ccccc1 14113962 UFAPJMWMPKZETA-UHFFFAOYSA-N 325.372 1.000 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)c1ncc(S(N)(=O)=O)s1 65621494 XMOUBAFMKHVKTM-SECBINFHSA-N 341.414 1.067 0 40 EDAB O=C(CCNCc1ccc(Cl)o1)N1CCN(c2ncccn2)CC1 69581518 VUAYQUDJKVVPLZ-UHFFFAOYSA-N 349.822 1.552 0 40 EDAB COc1ccccc1CC(=O)N1CCC(NCc2cc[nH]n2)CC1 66991402 HMWPIFQDMKNBRI-UHFFFAOYSA-N 328.416 1.742 0 40 EDAB Nc1nc(N)nc(COC(=O)Cc2csc(-c3cccs3)n2)n1 17936505 YVNAFLQROXDOES-UHFFFAOYSA-N 348.413 1.507 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 69818270 FFXCKHFEIIFOTI-LBPRGKRZSA-N 326.828 1.326 0 40 EDAB COc1cc2c(cc1CN1CCO[C@H](CCNC(C)=O)C1)OCO2 67714775 BYYYVIJQBAZLQP-CQSZACIVSA-N 336.388 1.151 0 40 EDAB CCCCOc1cccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)c1 8992012 VJQDAUMWBCATLP-KBPBESRZSA-N 340.470 1.726 0 40 EDAB CCCNC(=O)CC[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 9052103 XIGDYAZXWWTVGV-LBPRGKRZSA-N 347.371 1.347 0 40 EDAB Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)nc1 9752999 FYUVZUXZJCNCIW-LLVKDONJSA-N 337.376 1.835 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 408597647 VRGQUNDESAZVBN-LBPRGKRZSA-N 341.433 1.628 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)C[S@@](=O)c2ccc(F)c(F)c2)C1 89954627 MXVZBNNEZAOBMC-RULNZOCKSA-N 344.383 1.200 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(OCC(F)(F)F)cc1 9544309 NZSWHZSYFXDZQB-UHFFFAOYSA-N 343.261 1.116 0 40 EDAB CCN(CC)[C@H](C)CNC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 89967751 IUGFEPOKGMJMII-RHSMWYFYSA-N 337.468 1.407 0 40 EDAB Cc1noc(Cl)c1CCC(=O)N1CCC(N2CCNC2=O)CC1 71841430 FLUVKNFBAWMCAN-UHFFFAOYSA-N 340.811 1.585 0 40 EDAB COC1CCN(C(=O)C[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)CC1 71803448 WYSTWVXLQSHNQP-CQSZACIVSA-N 349.362 1.278 0 40 EDAB CC[C@@H](Sc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCOCC1 71894108 SFBOYVWJPXUARC-DZGCQCFKSA-N 336.457 1.921 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Sc1ccc(S(C)(=O)=O)cc1 71851045 YCCHJUYVOHGFBJ-VIFPVBQESA-N 330.431 1.416 0 40 EDAB COc1c([C@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)c(C)nn1C 72267599 VNUPMBTXAKHCID-CYBMUJFWSA-N 346.435 1.853 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)COc1ccccc1F 72283893 DKJCEPBELHPYIE-UHFFFAOYSA-N 344.346 1.474 0 40 EDAB O=C(CCCOc1ccccc1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269475 DIWFDQCHPYHNMR-ZWKOTPCHSA-N 332.444 1.903 0 40 EDAB O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1=O)N1CCC[C@H](CO)C1 71909619 BHBUNIGWVQMJLT-XJKSGUPXSA-N 349.406 1.735 0 40 EDAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(C)C1=O 71915577 PFFZVONKEJHCEL-HOTGVXAUSA-N 345.443 1.486 0 40 EDAB CCNS(=O)(=O)c1cccc(C(=O)N(CC)C[C@H](C)C(=O)O)c1 89977547 AZGJWCBYHUHFIH-NSHDSACASA-N 342.417 1.168 0 40 EDAB CCCc1c(C(=O)N[C@H]2CCN(C(N)=O)C2)cnn1-c1ccccc1 97107312 YOABZEKLBLNVMT-ZDUSSCGKSA-N 341.415 1.708 0 40 EDAB CN(CCn1c(-c2ncccn2)noc1=O)Cc1ccc(F)cc1 97139650 OCPIBOFFIXNBSZ-UHFFFAOYSA-N 329.335 1.564 0 40 EDAB COC(=O)/C(C)=C/CN1CCN(C(=O)N(C)Cc2ccccc2)CC1 72309113 FVHAKDWLMYWZHQ-CXUHLZMHSA-N 345.443 1.975 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@@H](O)c1ccc(F)c(F)c1)CC2 97202508 HXIMAIPAVWOPGN-MRXNPFEDSA-N 334.370 1.913 0 40 EDAB Cc1noc(CN2CCN(C[C@H](O)c3cccc(Cl)c3)CC2)n1 75750972 BSCORZSUQWNVSF-HNNXBMFYSA-N 336.823 1.883 0 40 EDAB CNS(=O)(=O)c1cccc(CNCc2cnccc2N(C)C)c1 97376337 JGBFAICRTHPSSI-UHFFFAOYSA-N 334.445 1.346 0 40 EDAB CCOC(=O)[C@@]1(NC(=O)[C@@H](C)n2cccn2)CCc2ccccc21 72696435 XNMIMXYVSMRAJU-FZKQIMNGSA-N 327.384 1.965 0 40 EDAB CCC[C@](C)(O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O 76019193 BUBRNAOFHSDDFN-MJGOQNOKSA-N 345.443 1.882 0 40 EDAB CCn1nc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)ccc1=O 76044644 LGHSNCUZWDUNMB-LBPRGKRZSA-N 329.360 1.501 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H]1c1noc(C2CC2)n1 84544472 SODCJTPPTXNXDV-LBPRGKRZSA-N 341.433 1.681 0 40 EDAB Cc1ccccc1CS(=O)(=O)N1CCN(c2cnn(C)c2)CC1 72718307 GWKSVAIBEBOQLL-UHFFFAOYSA-N 334.445 1.381 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(CCO[C@H]3CCCC[C@H]3C)C2)C1=O 84691962 MZUSIXLBNRBPKO-RVKKMQEKSA-N 337.464 1.986 0 40 EDAB COc1cc(F)c(NC(=O)N(C)CCNC(=O)N(C)C)cc1F 95456159 XKEPSYGMNAKERQ-UHFFFAOYSA-N 330.335 1.708 0 40 EDAB COC(=O)CCCc1nc(Cn2ccc(=O)c3ccccc32)no1 78869903 MLHSUIHTDSCPTB-UHFFFAOYSA-N 327.340 1.929 0 40 EDAB O=C(N[C@H]1CCC[C@H]1CO)c1cn(-c2cccc(Cl)c2F)nn1 95989167 CGBNUIRZSNSXQL-ONGXEEELSA-N 338.770 1.951 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCN1CCCCC1 89295906 AWQNWWCIVBMOHK-CQSZACIVSA-N 334.468 1.851 0 40 EDAB c1cc2nccc(NC[C@@H]([C@@H]3CCOC3)N3CCOCC3)c2cn1 75094570 BMLMIRFAICDZHY-KDOFPFPSSA-N 328.416 1.779 0 40 EDAB O=C(C[C@@H](NCc1cccnc1)C(=O)O)Nc1ccc2c(c1)OCO2 28232161 KMQZJVQWKQYOSW-CYBMUJFWSA-N 343.339 1.382 0 40 EDAB O=C(c1ccnnc1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 306131524 KHSLDENYLZFDFH-AWEZNQCLSA-N 349.398 1.452 0 40 EDAB O=C(c1ccc2nc(N3C(=O)CCC3=O)sc2c1)N1CCOCC1 33786456 YWLOCCHFQNIBAP-UHFFFAOYSA-N 345.380 1.422 0 40 EDAB COc1cc(C(=O)O)ccc1CCNC(=O)c1c(Cl)cnn1C 517759701 UGKPDCXUAOKEDQ-UHFFFAOYSA-N 337.763 1.753 0 40 EDAB COc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C 71287651 WRVLRMQEOLLZBI-ZIAGYGMSSA-N 346.383 1.883 0 40 EDAB CCCc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n[nH]1 77614479 TWMYCVICACQOFK-CJNGLKHVSA-N 327.388 1.915 0 40 EDAB CC1(C)OC[C@H]2C[C@]21NC(=O)c1ccc(-n2cnnn2)cc1Cl 529785412 MYBXBRXAQTYZJE-PSLIRLAXSA-N 333.779 1.613 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2O)CC1 73688732 WUPIBEKDQWVGDT-QGZVFWFLSA-N 339.395 1.377 0 40 EDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1C 71980150 COMPJMIPOLEHHR-OAHLLOKOSA-N 332.400 1.733 0 40 EDAB CC(C)[C@H](N)C(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 79391475 JWQFFRBLKNVBKQ-KGLIPLIRSA-N 325.453 1.970 0 40 EDAB O=C(O)c1sccc1S(=O)(=O)N1CCC[C@@H](n2ccnn2)C1 573561094 IYMOUCDQWWKPOM-SECBINFHSA-N 342.402 1.064 0 40 EDAB CO[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[nH]1 574921564 FIFPALDCQYPVKN-KGLIPLIRSA-N 329.404 1.149 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2nnn(-c3ccccc3)n2)C1 75163272 FUAWFDYNQRAUQT-LBPRGKRZSA-N 329.360 1.078 0 40 EDAB c1ccc(CN2CCO[C@H]3CN(c4ncnc5[nH]ncc45)C[C@H]32)cc1 195539279 YMVFTXKUXICNHZ-CVEARBPZSA-N 336.399 1.443 0 40 EDAB CN(C)CCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225402229 VMNDBZCMENAFOI-UHFFFAOYSA-N 344.506 1.321 0 40 EDAB CCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 47080982 BRZKNOOASBRZQW-NSHDSACASA-N 344.433 1.239 0 40 EDAB CCCCN1C(=O)C[C@H](S[C@@H]2CC(=O)N(CCCC)C2=O)C1=O 84460055 DRKHXTYDYJFDOE-TXEJJXNPSA-N 340.445 1.575 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NC(=O)c2c(C)coc2C)c1 225470331 BNHUUUXBGSIFIK-UHFFFAOYSA-N 337.353 1.802 0 40 EDAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCC(C)C 224948649 RAVCWFSZIUAXSN-UHFFFAOYSA-N 342.461 1.650 0 40 EDAB Cc1ccc(N[C@@H]2CO[C@]3(CCCN(c4nncs4)C3)C2)nn1 96073785 HYEVTKWTLYQWPF-SWLSCSKDSA-N 332.433 1.877 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 96042310 OUNXBSBEIPNGJW-SOUVJXGZSA-N 344.346 1.462 0 40 EDAB O=C(c1ccoc1)N1CC[C@H]2[C@@H](CC1)OCCN2CCN1CCCC1 96249368 NARFXCAGVUEGMS-ZWKOTPCHSA-N 347.459 1.681 0 40 EDAB CNC(=O)CN1CCC(NC(=O)[C@@H](C)c2cc3ccccc3o2)CC1 96451175 AKPYWOAKGNTQBR-ZDUSSCGKSA-N 343.427 1.863 0 40 EDAB COC[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cncn2C1 96208954 PMGFUEAOXMUPOB-CYBMUJFWSA-N 339.399 1.688 0 40 EDAB CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)Cc3ccsc3)C2)O1 96063343 UCZOLNZMKRZQIS-WBVHZDCISA-N 338.473 1.629 0 40 EDAB Cc1ccoc1C(=O)N1C[C@@H](C(=O)NCC2CC2)C2(CCOCC2)C1 96240824 JTMNHVAWFZBMTE-HNNXBMFYSA-N 346.427 1.983 0 40 EDAB O=C(O)C1CCN(c2nccn(Cc3cccc(F)c3)c2=O)CC1 96530517 OGZWYAXBCLPTEN-UHFFFAOYSA-N 331.347 1.732 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 257218600 DDTKWVRPNACWHF-OAHLLOKOSA-N 334.420 1.265 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257286972 PNWDVEHDBZCJHJ-OAHLLOKOSA-N 330.388 1.871 0 40 EDAB CNc1cc([C@H]2CCCN2C(=O)CN2CCCCCC2=O)nc(C)n1 257302315 SCMASTVLDAPBBY-OAHLLOKOSA-N 345.447 1.893 0 40 EDAB CN(C)c1ncccc1C(=O)Nc1ccc2c(c1)B(O)OC(C)(C)C2 584920247 SNTLEMRFQSTKSW-UHFFFAOYSA-N 339.204 1.439 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H]1c1ccc(CNC(C)=O)cn1 257282846 OVOIELRSGFSNCF-OAHLLOKOSA-N 325.434 1.594 0 40 EDAB COCC(=O)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257313387 USEIJYBGRZXXKN-HNNXBMFYSA-N 334.347 1.951 0 40 EDAB Cc1cnc(C(=O)N2CC3(C[C@H](Oc4cccnc4)CS3)C2)cn1 253601349 PWQVFCLGCBAHOJ-AWEZNQCLSA-N 342.424 1.959 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cccc(Cc2ccccc2)n1 257313099 URAWMHRDPIBGDD-KBAYOESNSA-N 326.396 1.677 0 40 EDAB Cc1cc(N2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)nc(C)n1 257217721 DAHOBOGKJOHLSZ-IAGOWNOFSA-N 338.411 1.710 0 40 EDAB O=C(NCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C1=CCCCC1 252570761 XCAVHUQXTSOYCU-VGWMRTNUSA-N 328.412 1.800 0 40 EDAB COCC(=O)N1CCC(Cc2cc(-c3ccnn3C)ncn2)CC1 257226858 FMLWTRMAJMECFS-UHFFFAOYSA-N 329.404 1.305 0 40 EDAB C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)NCC2)c1nnc2n1CCC2 605036762 OREUUGPHNITJEK-SNVBAGLBSA-N 340.387 1.393 0 40 EDAB Cc1cc(C(=O)NCCc2c(C)noc2C)ccc1-n1cnnn1 593098151 UAHZSYWVEBSTGM-UHFFFAOYSA-N 326.360 1.548 0 40 EDAB CS(=O)(=O)Nc1cccc(NC(=O)c2cnn3c2OCCC3)c1 90583891 XBOSFAJDSLVUDB-UHFFFAOYSA-N 336.373 1.289 0 40 EDAB CCN(Cc1ccncc1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 298354519 WZNIYBAUGUJABQ-RYUDHWBXSA-N 329.322 1.887 0 40 EDAB O=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)Nc1cccnc1 96119122 ZYPGOZPDYWHLHX-UHFFFAOYSA-N 325.328 1.673 0 40 EDAB CN(C)CCC(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 575402372 BQIXFQGVFBXJIJ-INIZCTEOSA-N 333.432 1.167 0 40 EDAB CN(Cc1cnccn1)S(=O)(=O)c1ccc(C(C)(C)C(=O)O)cc1 580095740 FTJLMDDJYDEYNR-UHFFFAOYSA-N 349.412 1.660 0 40 EDAB O=C(N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1)c1csnn1 585110656 VHSLFXCKALZNMV-GFCCVEGCSA-N 330.413 1.397 0 40 EDAB Cc1cccc(OC[C@@]2(O)COCCN(C(=O)c3cnc[nH]3)C2)c1 585275734 IWSLXNIPVJDCEC-KRWDZBQOSA-N 331.372 1.001 0 40 EDAB Cc1cc(C)cc(OCCNC(=O)CSc2nnnn2C2CC2)c1 55526745 FMZRVTMFLYJNJL-UHFFFAOYSA-N 347.444 1.912 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCOc2ccc(F)cc21 68938010 BBSRDLXTBSPOSY-ZDUSSCGKSA-N 339.392 1.978 0 40 EDAB Cn1cnc([C@@H]2CN(C(=O)NCc3cccc(Cl)c3)C[C@H]2N)c1 1553420664 YDUKFTPZLBOMOQ-ZIAGYGMSSA-N 333.823 1.710 0 40 EDAB CC(C)[C@@H](C)NC(=O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 65554494 FHEOFEYSMULEKY-GDBMZVCRSA-N 338.473 1.619 0 40 EDAB COc1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1F 105328746 HOBWZKCAIUYWCC-TVXJZBATSA-N 335.400 1.809 0 40 EDAB O=S(=O)(Cc1ccccc1CNCc1ncc[nH]1)N1CCCC1 95437462 UHGWBTVBWHEUKM-UHFFFAOYSA-N 334.445 1.625 0 40 EDAB CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 368020 NGOJUZRYYMUZFU-UHFFFAOYSA-N 341.415 1.626 0 40 EDAB O=C(NCCn1cccnc1=O)c1cccc(OC(F)(F)F)c1 828172341 GRFCTEPRWXIQKD-UHFFFAOYSA-N 327.262 1.572 0 40 EDAB O=C(NCCc1ccc(Cl)cc1)NC[C@H]1CN2CCCN1CC2 1616034517 HVALWJHFSGURHH-INIZCTEOSA-N 336.867 1.572 0 40 EDAB C/C=C/C=C/C(=O)O[C@H]1CC/C=C/[C@@H](O)[C@H](O)[C@H](CCC)OC1=O 4097627 TXPRZPDVUZCNLB-CWPZMVAKSA-N 338.400 1.814 0 40 EDAB biogenic,in-vitro Cn1ccnc1[C@@]1(O)COC2(CCN(C(=O)c3cccs3)CC2)C1 12087366 YESJKMVUQBFVJS-KRWDZBQOSA-N 347.440 1.765 0 40 EDAB CC(=O)C[C@@H]1C[C@H](n2cnc3c(=O)[nH]cnc32)[C@@H](C(C)=O)[C@@H]1C(C)=O 13410839 XLWBUYJUDZPCSS-XJFOESAGSA-N 344.371 1.070 0 40 EDAB COc1ccc(S(=O)(=O)NCCCn2cccn2)cc1OC 14238081 RFHOEFQGFLCZDQ-UHFFFAOYSA-N 325.390 1.269 0 40 EDAB Cc1nn(C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C)c1Br 17071628 HVVKFOQIMSDSBK-JLIMGVALSA-N 343.177 1.781 0 40 EDAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C(C)C)nc(O)c2C1 19085681 OFKBFQJXPXSTMU-OAHLLOKOSA-N 346.431 1.796 0 40 EDAB CN(C)C(=O)[C@@]1(C)CN(Cc2cn(C)c3ccc(F)cc23)CCO1 19746950 KKWXCMQSFVXJGD-GOSISDBHSA-N 333.407 1.997 0 40 EDAB CN1CCN(Cc2nc3ccccc3n2C)C[C@@H](C(=O)N(C)C)C1 607853696 YCBWZZVSUZNUTG-AWEZNQCLSA-N 329.448 1.025 0 40 EDAB Cn1cnc2c(N3CCN(c4nc(C5CC5)ns4)CC3)ncnc21 1888897044 TYYZWLUHDSSXRY-UHFFFAOYSA-N 342.432 1.419 0 40 EDAB c1cnn(-c2cc(N3CCN(c4ncnc5c4CCC5)CC3)ncn2)c1 1889149019 XTQKHZXGLKZAGQ-UHFFFAOYSA-N 348.414 1.268 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C(=O)NCc2ccco2)c1 387238 YCTQHAATFOYQNT-CYBMUJFWSA-N 336.413 1.880 0 40 EDAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)CC)CC2=O)cc1 9035945 LSBWNVFOAYWIRY-GFCCVEGCSA-N 326.418 1.378 0 40 EDAB NCCn1ncc2c(=O)n(Cc3cccc(C(F)(F)F)c3)cnc21 26421666 MQJQTEQYNCKRQB-UHFFFAOYSA-N 337.305 1.619 0 40 EDAB NC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccc(F)cc1 4496423 CIGPWQVACSAITI-UHFFFAOYSA-N 342.373 1.399 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccco3)CC2)cc1 38671223 DSJYXWDYZGBYPU-UHFFFAOYSA-N 348.424 1.777 0 40 EDAB Cc1nnc(NC(=O)c2ccc(NC(=O)CCC(=O)O)cc2)s1 13575549 BXINXPNLFSRUCI-UHFFFAOYSA-N 334.357 1.902 0 40 EDAB O=C(CSc1nncn1C1CC1)NC[C@@H]1COc2ccccc2O1 31243778 QSVVHILFCDCSAH-GFCCVEGCSA-N 346.412 1.661 0 40 EDAB COc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)ccc1OC(C)C 40497135 PKWMORGSSAHXBC-GFCCVEGCSA-N 341.429 1.647 0 40 EDAB Cc1cc(C)n(CC(=O)Nc2nc(CN3CCOCC3)cs2)n1 40474083 NDXIPPGMDUKVND-UHFFFAOYSA-N 335.433 1.427 0 40 EDAB C[C@@H]1NC(C(=O)N[C@H](C)c2ccccn2)=NN(c2ccccc2)C1=O 40553412 ISAXXCGFVFNWAG-OLZOCXBDSA-N 337.383 1.597 0 40 EDAB O=C1NCCCC[C@H]1NC(=O)N1CCC[C@@H]1c1nnc2ccccn12 45668975 MARAEFIEQYGVHO-CHWSQXEVSA-N 342.403 1.245 0 40 EDAB NC(=O)c1ccc(OC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 29467709 GWILUIXKIAPZRT-UHFFFAOYSA-N 338.319 1.658 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCC(Nc2cccnn2)CC1 69655018 QKZBCMOKIHFDSC-MRXNPFEDSA-N 340.383 1.720 0 40 EDAB CCOc1ccc(N2C(=O)C[C@H](N3CCCC[C@@H]3CCO)C2=O)cc1 20573664 IXESDGLPLDUDGU-PBHICJAKSA-N 346.427 1.954 0 40 EDAB COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)c1ccc(C)cc1 1588093 XFOMXSOOKUAILZ-UHFFFAOYSA-N 329.312 1.171 0 40 EDAB COc1cc2ncn(CC(=O)NCCC(C)C)c(=O)c2cc1OC 20736785 JRLXNIMUGVVVTE-UHFFFAOYSA-N 333.388 1.576 0 40 EDAB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1ncn(C)c1Cl 32596987 ZYPFUFMDUVMUKA-UHFFFAOYSA-N 329.765 1.881 0 40 EDAB C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 102272755 RAWKLRHIXXZWSU-CBAGSJHLSA-N 330.428 1.896 0 40 EDAB Cc1csc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1 21483179 KWXFCWGXLHGJOS-UHFFFAOYSA-N 331.319 1.948 0 40 EDAB CC(=O)N1c2ccc(S(=O)(=O)[C@@H](C)CC(=O)O)cc2C[C@@H]1C 32917659 MHPUYGBLBLYFIU-UWVGGRQHSA-N 325.386 1.621 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)o1 32954936 DLRBBPGVTFBHKC-GFCCVEGCSA-N 335.385 1.560 0 40 EDAB CC[C@H](C)c1ccccc1OCC(=O)Nc1cnn(CC(N)=O)c1 32931806 FJRXBRJFJWFXET-LBPRGKRZSA-N 330.388 1.899 0 40 EDAB CCn1cc(CN2CCCN(C(=O)c3ccc(C)nc3)CC2)cn1 69696571 JEXZCEWZNXVRKJ-UHFFFAOYSA-N 327.432 1.955 0 40 EDAB CC(C)S(=O)(=O)CC(=O)NCCN1CCc2sccc2C1 53269954 QRITVUDBRXRFNB-UHFFFAOYSA-N 330.475 1.046 0 40 EDAB Cn1nccc1CNC(=O)c1cc2ncc(Br)cn2n1 2790370 UYFNEQIBKWMQCV-UHFFFAOYSA-N 335.165 1.155 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1cccc(F)c1 802872 DAPVRFNLJDTMGF-UHFFFAOYSA-N 337.376 1.303 0 40 EDAB CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)CCO1 46974621 LGUANQRANREZQP-DGCLKSJQSA-N 333.388 1.899 0 40 EDAB COc1ccccc1COC[C@H](O)Cn1ncc2ccccc2c1=O 42755968 OGLMMKURKBZAAZ-MRXNPFEDSA-N 340.379 1.983 0 40 EDAB O=S(=O)(NCc1ccc(Cn2cncn2)cc1)c1cccs1 54798183 WPDBVRXRVWEMRT-UHFFFAOYSA-N 334.426 1.866 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc(-n3cncn3)cc2)cc1 25051057 TZYIWMSWYSJSOK-UHFFFAOYSA-N 349.394 1.899 0 40 EDAB Cc1cnc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cn1 25227187 HOYAMJAUKBORCY-UHFFFAOYSA-N 328.347 1.522 0 40 EDAB O=C(COc1ccc(F)cc1Cl)N[C@@]1(C(=O)O)CCSC1 43508839 CWTAFEQPVXZFFB-ZDUSSCGKSA-N 333.768 1.934 0 40 EDAB Cn1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cn1 25308155 CEOLOFAIEOVZMV-OAHLLOKOSA-N 348.428 1.602 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CCO2)n1 107055611 ZRGBRENKMLGDIF-KKUMJFAQSA-N 330.363 1.956 0 40 EDAB O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1cccnc1 25671929 IMIUBBQPOUBQDG-UHFFFAOYSA-N 341.419 1.205 0 40 EDAB Cc1nnc2ccc(C(=O)N3CCN([C@@H]4C[C@H]5CC[C@H]4C5)CC3)cn12 107509436 YWGZMCBIHCCLOS-YQQAZPJKSA-N 339.443 1.984 0 40 EDAB Clc1ccc(CN2CCN(Cc3nnnn3C3CC3)CC2)cc1 44071368 KENXUHJFQGXWQE-UHFFFAOYSA-N 332.839 1.979 0 40 EDAB CCCN(C(=O)c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 57475697 CZCBXAXDNVPXET-LBPRGKRZSA-N 325.386 1.455 0 40 EDAB CCN(C(=O)[C@H](C)Nc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 57891685 NZDJUIYFULZRJH-STQMWFEESA-N 340.445 1.531 0 40 EDAB CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(F)c1 27348915 VDVPLTIBFYKACL-UHFFFAOYSA-N 338.404 1.984 0 40 EDAB O=C(Nc1ccc(N2CCCC2=O)cc1)N[C@H]1CCS(=O)(=O)C1 58281172 VAINUJWRAXAJJA-LBPRGKRZSA-N 337.401 1.122 0 40 EDAB COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)c2cnn(C)c2C)nn1 58280734 LDGBJUUUCKMCET-KGLIPLIRSA-N 347.375 1.447 0 40 EDAB O=C(NCCN1CCOCC1)c1ccc(C(=O)c2ccccc2)cc1 27772555 KIKRXLHVABINBL-UHFFFAOYSA-N 338.407 1.980 0 40 EDAB CCOc1ccc([C@@H]2CCCN2C(=O)CCNS(C)(=O)=O)cc1 44916965 BNVZJCCEMWWBOE-HNNXBMFYSA-N 340.445 1.688 0 40 EDAB CN(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCc2ccccc21 44910051 QDXGSXJAQNDUIX-ZBFHGGJFSA-N 336.457 1.251 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)N2CCNC(=O)C2)c(Br)c1 44959824 USAADDGQEWAPAC-JTQLQIEISA-N 341.205 1.483 0 40 EDAB O=C(NO[C@@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 58377069 QYDAUGVHLQYBLH-BDJLRTHQSA-N 348.355 1.343 0 40 EDAB NS(=O)(=O)c1ccc2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2c1 12629106 IWOVDOGKIVIJKL-UHFFFAOYSA-N 347.352 1.341 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCCOc1ccc2c(c1)OCO2 58421552 MTHNVBCXLKKHCI-UHFFFAOYSA-N 332.404 1.692 0 40 EDAB COCCn1cc(NC(=O)N(CCC(N)=O)Cc2ccccc2)cn1 45304392 ORYVDCRYJYRPKG-UHFFFAOYSA-N 345.403 1.439 0 40 EDAB Cc1ccccc1-n1nnnc1SCC(=O)NC[C@H]1CCCO1 3313311 IBAWPEUAUCKCGU-GFCCVEGCSA-N 333.417 1.358 0 40 EDAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[C@H]4CCCO4)C(=O)[C@H]13)O2 2404605 QSRQIVDNIIEXJH-KAYRBKQESA-N 335.400 1.291 0 40 EDAB Cc1occc1C(=O)N1CCN(C(=O)CC2(O)CCCCC2)CC1 81282656 ZRGXSNZLFKCPLM-UHFFFAOYSA-N 334.416 1.958 0 40 EDAB CC(C)(C)NC(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 3381150 CVXKFYHVFJUJMM-UHFFFAOYSA-N 349.355 1.754 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 3362445 MEAYJAKCDHZCBW-GOSISDBHSA-N 329.400 1.775 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1ccc(N2CCCC2=O)cc1 48279421 XDIJZDAQFYEUNX-UHFFFAOYSA-N 325.372 1.281 0 40 EDAB COc1ccc(C(=O)N2CCCC[C@H]2C(N)=O)cc1Br 37977045 AHGZAOJSLJPXMQ-NSHDSACASA-N 341.205 1.938 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCCOc3ccccc3)CC2)no1 48312872 RWWISNMIFBUDPB-UHFFFAOYSA-N 344.415 1.889 0 40 EDAB CC(C)COCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 12876221 MCCCHMZEHRTSOC-UHFFFAOYSA-N 329.418 1.799 0 40 EDAB Cc1csc(=O)n1CCN(C)Cc1nc2ccccc2c(=O)[nH]1 12943834 HALNHPHWPUMVGH-UHFFFAOYSA-N 330.413 1.587 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@@H](n3ccnc3)C2)CN1CC(F)(F)F 69700187 FJNHSTGOCAQHOG-NWDGAFQWSA-N 344.337 1.457 0 40 EDAB CC(C)n1nnnc1Sc1ncc(I)cn1 69707378 XVBFBARNSWOELT-UHFFFAOYSA-N 348.173 1.800 0 40 EDAB CC(=O)N1CCCN(C(=O)Cn2c(C3CC3)nc3ccccc32)CC1 69387634 LZLDSJWEDOJPBA-UHFFFAOYSA-N 340.427 1.995 0 40 EDAB Cc1nccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)n1 69382076 IRRVXADFZHJQQQ-KRWDZBQOSA-N 338.411 1.749 0 40 EDAB COc1ccc(C2(CNC(=O)[C@H]3CCC(=O)N3)CCOCC2)cc1 49513300 XLJBJQUIQZXNRV-OAHLLOKOSA-N 332.400 1.138 0 40 EDAB CCN1CCC[C@H]1CNC(=O)CNc1nc(Cl)nc2[nH]cnc12 13655793 OQDZBPKIKBEMNJ-VIFPVBQESA-N 337.815 1.019 0 40 EDAB Nc1cc(=O)[nH]c(SCC(=O)N[C@@H]2CCCc3ccccc32)n1 13637976 DBNIPCZLXYAFGW-GFCCVEGCSA-N 330.413 1.638 0 40 EDAB Cc1c(C(=O)N2CCC(C)CC2)cnn1[C@@H]1CCS(=O)(=O)C1 49658000 SRDNYQRNXGCROB-CYBMUJFWSA-N 325.434 1.423 0 40 EDAB CCn1cc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2C)c(C)n1 13720283 AZPQLCXQKINPBS-HOCLYGCPSA-N 335.429 1.490 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 13746738 WTCSTOMPTBLWAD-UHFFFAOYSA-N 346.408 1.840 0 40 EDAB O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)NCCc1ccccc1 13726080 SYXICRBAZCLUAQ-INIZCTEOSA-N 334.379 1.932 0 40 EDAB Cc1cccc2c1NC(=O)[C@]21N[C@@H](C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 17029020 DHPOEPXCIQUBMS-FWXAJUPQSA-N 341.411 1.534 0 40 EDAB COc1ccccc1OCC(=O)Nc1ccc(-n2cnnn2)cc1 6287609 KEIIFRDSUMUWII-UHFFFAOYSA-N 325.328 1.688 0 40 EDAB CCCOC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 18262931 SYQUXNFFRLDPMJ-UHFFFAOYSA-N 336.413 1.801 0 40 EDAB CC1CCN([C@H](CNC(=O)Cn2cnnn2)c2ccccc2)CC1 65802353 BQCOONJVVHKLIG-MRXNPFEDSA-N 328.420 1.263 0 40 EDAB COCCNC(=O)c1ccc(Cl)c(NC(=O)c2cnsn2)c1 69527856 NGVTWIGICFBFGR-UHFFFAOYSA-N 340.792 1.820 0 40 EDAB CC[C@@H]1CCCCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 4846621 VUNVJFCOXDYOQF-GFCCVEGCSA-N 336.413 1.622 0 40 EDAB CCOc1cc(CNc2nn[nH]n2)ccc1OCC(=O)NC(C)(C)C 4897525 CEFPSSJPXAHZES-UHFFFAOYSA-N 348.407 1.504 0 40 EDAB COc1ccc2cc(-c3nc(-c4nonc4N)no3)c(=O)oc2c1 6868069 BGHUIRFMVYBHOZ-UHFFFAOYSA-N 327.256 1.484 0 40 EDAB CN1CCCn2nc(C(=O)N[C@H](c3nccn3C)C3CC3)cc2C1 67641531 CHDOAZNLYBVJAP-HNNXBMFYSA-N 328.420 1.333 0 40 EDAB COc1ccc(CCNC(=O)CSc2nc3ncccn3n2)cc1 8980834 LHGQSJJYIPNBBC-UHFFFAOYSA-N 343.412 1.584 0 40 EDAB Cn1c(SCC(=O)Nc2nncs2)nnc1-c1ccc(O)cc1 9142854 XKBVDTPRHQYHRQ-UHFFFAOYSA-N 348.413 1.770 0 40 EDAB COc1ccc(-n2cnnc2SCC(=O)NC[C@H]2CCCO2)cc1 9368507 DQKSBECVYJCKPK-CQSZACIVSA-N 348.428 1.663 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(CO)oc2C)c1C 9456866 IYSIRQAUVYMJEE-UHFFFAOYSA-N 349.339 1.852 0 40 EDAB CCc1nc([C@H]2CCCN2CC(=O)NCCOc2ccccc2)no1 72279352 SULKFHGSJHHGOD-OAHLLOKOSA-N 344.415 1.964 0 40 EDAB CCN(CC)CCn1cnc2c3c(sc2c1=O)SCC(=O)N3 27562797 LDDHISOGRIMPIX-UHFFFAOYSA-N 338.458 1.844 0 40 EDAB COc1c([C@H]2CCCN2C(=O)c2ccc(C(N)=O)s2)c(C)nn1C 72234446 POUNHXNBFHLNEI-SNVBAGLBSA-N 348.428 1.875 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 9582208 DJVXUASQODMTSN-CYBMUJFWSA-N 340.401 1.016 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccnc(-n3cncn3)c2)c1 71869882 OPHLMBPIMPFDJX-HNNXBMFYSA-N 337.387 1.472 0 40 EDAB CCCn1nc(C(=O)N2CCCC[C@@H]2Cn2cc(C)cn2)ccc1=O 71865684 VTOWQXHLDPCEDA-OAHLLOKOSA-N 343.431 1.853 0 40 EDAB CCn1cc([C@H]2OCC[C@H]2CNCc2cccc(C(N)=O)c2)cn1 83843520 OORVZTJROWLMLV-RDJZCZTQSA-N 328.416 1.869 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 71921827 DWQWVHSGHVKSOS-SFHVURJKSA-N 342.443 1.668 0 40 EDAB Cc1ccc(/C=C/C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)o1 76067601 ZBRGNOBYDBZBBA-ZYOFXKKJSA-N 335.385 1.796 0 40 EDAB CC[C@@H](NC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccncc1 76088195 KPDJJVNZSAOGJQ-VXGBXAGGSA-N 344.337 1.995 0 40 EDAB O=C1NC(=O)[C@@]2(CCN(C(=O)C3CCC(c4ccccc4)CC3)C2)N1 72300833 WNWCPPHLXZDVCR-ZOJXTTQQSA-N 341.411 1.771 0 40 EDAB CC(=O)NCC(=O)Nc1cccc(I)c1C 97237584 DGHZBEXMERSZMZ-UHFFFAOYSA-N 332.141 1.674 0 40 EDAB O=C(CN1C(=O)c2ccccc2CS1(=O)=O)Nc1ccccc1F 84582098 VQXAVXAQZUBMDB-UHFFFAOYSA-N 348.355 1.750 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCN1C[C@@H](C)O 84736454 JWQWGRITJBDXMF-TZMCWYRMSA-N 340.855 1.451 0 40 EDAB CC[C@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@@H]1N1CCOCC1 84735900 LQRFRBOZVTZNMU-RDJZCZTQSA-N 334.464 1.576 0 40 EDAB CCS(=O)(=O)NCCCN[C@H]1CSCCc2ccccc21 95421398 GZWRLFFVBNQPHJ-HNNXBMFYSA-N 328.503 1.936 0 40 EDAB CN1CCO[C@@H](C(=O)NCc2ccn(-c3c(F)cccc3F)n2)C1 95441471 BBCSKUUQKWSXAU-CQSZACIVSA-N 336.342 1.097 0 40 EDAB NS(=O)(=O)NCc1ccc(Br)cc1C(F)(F)F 95448610 SKECTDYWPJGMEH-UHFFFAOYSA-N 333.129 1.761 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CCO[C@]2(CCOC2)C1 95457460 QBASSSNDSLKUOQ-CXAGYDPISA-N 334.372 1.553 0 40 EDAB Cc1nc(COc2ccc(C(=O)N3C[C@H](C)[C@H](N(C)C)C3)cc2)no1 78894745 RTPLAUXOSBVWKX-BLLLJJGKSA-N 344.415 1.979 0 40 EDAB Cc1cc(N2CCOC[C@@H]2C[C@H](O)c2cccs2)n2ncnc2n1 79060252 MWMCAUPMKNVEFR-STQMWFEESA-N 345.428 1.823 0 40 EDAB C[C@H]1CN(C(=O)CNc2ccccc2N2CCC(O)CC2)CCO1 79183065 ZPQXDUXYNUERMG-AWEZNQCLSA-N 333.432 1.307 0 40 EDAB Cn1cc(CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cn1 68829533 CDOYCYHWXHFWTJ-GOSISDBHSA-N 339.443 1.343 0 40 EDAB Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)n1C 78909630 RSLUVKKGKUEVKE-GFCCVEGCSA-N 335.429 1.814 0 40 EDAB COCCNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707789 QQJMDQJUXNFXCM-UHFFFAOYSA-N 326.396 1.697 0 40 EDAB O=C(N[C@@H]1CCCNC1=O)c1csc(CCc2ccccc2)n1 78656036 JIACGLZRVYDHQU-CYBMUJFWSA-N 329.425 1.937 0 40 EDAB NS(=O)(=O)c1cccc(S(=O)(=O)NCCCC2CCCC2)c1 32771285 STEYFPKCKMMDFZ-UHFFFAOYSA-N 346.474 1.583 0 40 EDAB CC(=O)N1CCC(N2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)CC1 77266517 ZNHHPFHRQGXLKL-GOSISDBHSA-N 342.443 1.624 0 40 EDAB biogenic,in-vitro NC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218036500 TVYBASPXJYIUKE-YQQAZPJKSA-N 331.393 1.656 0 40 EDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 218399535 GURMLFBGOVMKKE-SQNIBIBYSA-N 331.437 1.872 0 40 EDAB OCCOc1ccccc1OCCOc1ccccc1OCCO 39177129 DRLQVPWYGDZWRT-UHFFFAOYSA-N 334.368 1.887 0 40 EDAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CO)cc1 218445915 FQJMCVYKXYCBSB-OKZBNKHCSA-N 331.437 1.933 0 40 EDAB COc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H]3CCCO3)CCC(=O)N2C)cc1 72242056 QUBSZAVWPLFYQK-XYJFISCASA-N 346.427 1.900 0 40 EDAB Cn1[nH]c([C@@H]2CCCN2C(=O)[C@@H]2CCc3ccccc3C2)nc1=N 520416851 VYFVNLZXZPLJIW-CABCVRRESA-N 325.416 1.696 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CS(=O)(=O)NCc2ccco2)C1 521396681 ODHSMVJCJNNOAD-VNHYZAJKSA-N 340.445 1.594 0 40 EDAB CCc1ccc(N2C[C@H](C(=O)NCCNC(=O)C3CC3)CC2=O)cc1 43944824 UXYUQIYESWWRNG-OAHLLOKOSA-N 343.427 1.244 0 40 EDAB Cc1cnc2n(c1=O)C[C@@H](C(=O)Nc1ccc3cn[nH]c3c1)CS2 85473776 GEVZWXYDIIWHCP-LLVKDONJSA-N 341.396 1.789 0 40 EDAB Cc1cc(C(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)c(C)o1 238949393 WSVBRDSMOHHJEC-ZIAGYGMSSA-N 328.368 1.672 0 40 EDAB Cn1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc3c(c2)OCO3)n1 223333525 PWGIXEZAIUORDS-LBPRGKRZSA-N 342.355 1.279 0 40 EDAB Cc1ccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c(C)c1 44791213 FQFBNGPSXZGIRG-UHFFFAOYSA-N 347.440 1.781 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](Oc2cccnn2)C1 225457094 UNSCCOXUFICKRU-CQSZACIVSA-N 329.404 1.819 0 40 EDAB Cc1csc([C@@H]2CN(C(=O)NCCc3nc(C)no3)CCO2)n1 194105061 OLWHHQHMRCZFMI-NSHDSACASA-N 337.405 1.469 0 40 EDAB CN1CCN(c2ccc(NC(=O)c3cc(C4CC4)n(C)n3)nc2)CC1 571579967 KOJCWVKJWWOMOJ-UHFFFAOYSA-N 340.431 1.697 0 40 EDAB CCOC1CC(CNCc2cnn3ccccc23)(N2CCOCC2)C1 195458953 HWQVQVABDNPZKX-UHFFFAOYSA-N 344.459 1.694 0 40 EDAB CCc1nn(C)cc1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1 575150071 KIYNBIXVTQYMRL-WBVHZDCISA-N 326.400 1.732 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[C@H](Oc2cccnn2)C1 225412651 CJJYMCAXIGVPQP-GDZNZVCISA-N 341.367 1.685 0 40 EDAB CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CCc3cc(F)ccc32)O1 225790174 OPASRRKFAPWWNQ-UKRRQHHQSA-N 335.379 1.534 0 40 EDAB C[C@@](O)(CN1CCO[C@@H](C(N)=O)C1)c1ccccc1C(F)(F)F 195531462 KICPTZLSCQXSRQ-TZMCWYRMSA-N 332.322 1.099 0 40 EDAB CCN1CCC[C@H]1CNC(=O)Cn1nc(-c2ccco2)ccc1=O 95472627 ZWSIOFQVOUXZLL-ZDUSSCGKSA-N 330.388 1.104 0 40 EDAB OCCn1nc(C2CCOCC2)nc1[C@H]1COc2ccccc2C1 96163525 VZHQXGGILIJDJI-OAHLLOKOSA-N 329.400 1.883 0 40 EDAB Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCCN2S(C)(=O)=O)C1 96214981 CFRBZLOEXUIINP-OAHLLOKOSA-N 341.433 1.322 0 40 EDAB Cc1cc(Br)c(O)c(C(=O)N[C@@H]2CCC[C@H]2C(N)=O)c1 91683216 AQHSFJPNJFQURP-LDYMZIIASA-N 341.205 1.847 0 40 EDAB COc1cccc(NC2CCN(C(=O)[C@@H]3CC[C@H](C(=O)O)O3)CC2)c1 578626596 XGMCGSYPKJSTBE-JKSUJKDBSA-N 348.399 1.730 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)N1CCCCO1 96207409 JIUVYXBFHNTONO-BHYGNILZSA-N 331.416 1.615 0 40 EDAB Cc1cc(C(=O)N2Cc3nccn3C[C@@H](CN(C)C(C)C)C2)no1 96188325 MIDMFALPSPFVSV-CQSZACIVSA-N 331.420 1.792 0 40 EDAB CCCn1c([S@@](=O)[C@H](C)c2nc(-c3ccccc3)no2)n[nH]c1=O 96446928 SAJVRMADWCFXGO-VKTRGTBVSA-N 347.400 1.900 0 40 EDAB Cc1noc(CCCNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 96420754 UPSTZYKBUWOPAD-MRXNPFEDSA-N 344.415 1.328 0 40 EDAB Cc1cc(NC(=O)N(C)C[C@H](O)CN2CCN(C)CC2)ccc1F 96434648 JDSFQJCPGLUENA-HNNXBMFYSA-N 338.427 1.206 0 40 EDAB CCN1C[C@H]2[C@@H](C1)N(Cc1ccccc1)CC[C@H]2OCC(=O)N(C)C 96217107 QCMHDZGHBHJCDK-IPMKNSEASA-N 345.487 1.686 0 40 EDAB COC(=O)[C@@H](C)CN(C)[C@H]1CCN(c2c(F)cccc2F)C1=O 245289643 DGDOMHAGXOHTKQ-GWCFXTLKSA-N 326.343 1.811 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@]2(N)C(=O)O)cc1 242649288 RZYWPJMBWLNCHT-ZMSDIMECSA-N 349.383 1.856 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1CCC2(CN(C3CCOCC3)C2)OC1 248144352 RINABGVLLSCCSX-OAHLLOKOSA-N 347.459 1.415 0 40 EDAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1cc(-c2ccccc2F)no1 257298721 RMZNKNHALWBOGI-XNRPHZJLSA-N 334.347 1.875 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@H]3NCCCC[C@@H]32)c1C 257251687 JRTKQXVFLFWYAE-KGLIPLIRSA-N 326.466 1.507 0 40 EDAB Cc1cc(O)nc(N2CCC(NC(=O)Cc3cccs3)CC2)n1 253537369 RUNFYWIQRAYQOO-UHFFFAOYSA-N 332.429 1.880 0 40 EDAB O=C(NC[C@]1(O)CCN(c2ccccn2)C1)c1noc2c1CCCC2 257204430 AUOYILLSMOEJRA-GOSISDBHSA-N 342.399 1.320 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)C2(N)CCCC2)n1 257330924 XQPOGJFPYVZHBW-HNNXBMFYSA-N 331.420 1.048 0 40 EDAB CC(=O)NC[C@@H]1CN(Cc2cc(C(=O)O)ccc2Cl)CCO1 584535189 VTHYYOFAKFLHJH-CYBMUJFWSA-N 326.780 1.375 0 40 EDAB CC(C)(NC(=O)C[C@@H]1C[C@H]1c1ccccc1)c1noc(C(N)=O)n1 585081245 MCRVKNBLMVLGNZ-RYUDHWBXSA-N 328.372 1.714 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCCC[C@H]2CC(=O)OC(C)(C)C)c1 585115104 MPCBYPTVQXOGKS-LBPRGKRZSA-N 343.449 1.695 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)CC[C@H]1CCc2ccccc21 585115677 NGGQQLBVNUTXRQ-OAHLLOKOSA-N 338.473 1.894 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)CCCOCc2ccccc2)cn1 585126534 BJYPEFUQTQZSSH-UHFFFAOYSA-N 349.412 1.665 0 40 EDAB O=C(NCc1ccnc([C@@H]2CCCO2)n1)c1cnc(C2CC2)nc1 257250603 JNHACHXHDVMJNN-AWEZNQCLSA-N 325.372 1.926 0 40 EDAB Cc1cc(C)nc(-n2nccc2NC(=O)N2CC[C@@](C)(C(=O)O)C2)n1 263020931 JEKIDIIABPJYTP-MRXNPFEDSA-N 344.375 1.608 0 40 EDAB CC(C)Cn1ccc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)n1 1615554517 LJUQDMFTZBZLAT-ZIAGYGMSSA-N 330.354 1.811 0 40 EDAB C[C@H](NCc1coc(S(N)(=O)=O)c1)[C@H](c1ccccc1)N(C)C 1615623139 XTYCEUHPWQQFDV-BLLLJJGKSA-N 337.445 1.708 0 40 EDAB COc1c(C)cnc(CN(C)c2ccnc(S(N)(=O)=O)c2)c1C 1615615443 XGAAMKNCCUFDRR-UHFFFAOYSA-N 336.417 1.386 0 40 EDAB Cc1cc(NC(=O)CN2CC(c3nc(-c4ccco4)no3)C2)no1 96024289 UJUDVCXVPJHSKY-UHFFFAOYSA-N 329.316 1.664 0 40 EDAB CCCCNC(=O)[C@H]1CSCN1C(=O)c1cnn2ccccc12 390833437 HLPKFTMOCJARTE-CQSZACIVSA-N 332.429 1.766 0 40 EDAB CCN(C(=S)Nc1ccc(C)cc1)[C@H]1CS(=O)(=O)C[C@H]1O 575419974 BYRNCQKRWQBMCI-QWHCGFSZSA-N 328.459 1.172 0 40 EDAB CCn1nc(C)c(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)c1C 585292892 PMMHLSPBZIGSDN-GUDVDZBRSA-N 347.434 1.980 0 40 EDAB CCn1nc(C2CC2)cc1C(=O)N1CCC[C@@]1(COC)CC(=O)NC 585278713 RFSXTKHZICWWBN-SFHVURJKSA-N 348.447 1.538 0 40 EDAB O=S(=O)(NC[C@@H]1CN(Cc2ccco2)Cc2ccnn21)C1CC1 585111727 GVQHIYZHHCSBBH-CYBMUJFWSA-N 336.417 1.115 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CN(C(=O)CC2CC2)Cc2cncn21 585096220 ZIQBPLYFXDQOOR-MRXNPFEDSA-N 339.399 1.278 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)c1nnn(-c2cccc(Cl)c2)c1C 55037149 SGNLRUUDXXJMEM-JTQLQIEISA-N 349.822 1.874 0 40 EDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)c1cn2ccccc2n1 57210224 WWEFXEMSPPJTGV-QGZVFWFLSA-N 346.456 1.272 0 40 EDAB CCCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2O)CC1 54631313 IDYJOVOAZDDKHW-UHFFFAOYSA-N 326.418 1.334 0 40 EDAB COC(=O)CNC(=O)c1ccc(C)c(I)c1 69438967 YRZVDZRCKSSIPR-UHFFFAOYSA-N 333.125 1.502 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CSc2nc3ncccn3n2)c1 69619757 KHTCPOTYEZOLLW-UHFFFAOYSA-N 342.363 1.840 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCC[C@@H](O)C3CC3)CC2=O)cc1C 77107823 QPQPYNAVSOFBRC-DOTOQJQBSA-N 330.428 1.934 0 40 EDAB CCCC(=O)O[C@@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 5781659 NJJNAEMZQBLYRV-RBQFQAMWSA-N 330.377 1.726 0 40 EDAB Cc1csc2c(=O)n3c(nc12)CCN(C(=O)c1cccnc1)CC3 12337324 UKTBLENAKGNLTJ-UHFFFAOYSA-N 340.408 1.860 0 40 EDAB CCc1nc(NC(=O)NS(=O)(=O)c2ccccc2)nc(O)c1C 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Cc1nc(CN2CCC(C(=O)N3CCC3)(n3cccn3)CC2)cs1 2055772752 YMVUENYRFFUZCS-UHFFFAOYSA-N 345.472 1.872 0 40 EDAB COCCC(=O)N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055745467 BTXRAPCHIFTSHJ-LLVKDONJSA-N 347.371 1.208 0 40 EDAB O=C(NCc1cn(-c2cccnc2)nn1)c1ccc(Br)o1 575414342 DOJCDCQOZMQPHB-UHFFFAOYSA-N 348.160 1.948 0 40 EDAB Cc1ccc(=O)n(CC2CN(c3ncnc4cc(F)ccc34)C2)n1 585603047 GIZQANJUKAJVHL-UHFFFAOYSA-N 325.347 1.770 0 40 EDAB Cc1ccc(CNC(=O)C(=O)NCC[C@@H](O)c2ccccc2)cc1 85436515 QZTKGTVHSRISCY-QGZVFWFLSA-N 326.396 1.851 0 40 EDAB CC(=O)c1cccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)c1 12409975 IFDKVWHYONGHEX-UHFFFAOYSA-N 339.355 1.500 0 40 EDAB C[C@H]1CN(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)C[C@H](C)O1 40047536 MNOXCTXTCHVADV-QWRGUYRKSA-N 340.807 1.908 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)NCCc3ccccn3)ccc21 40468852 AXYBXSWPAYZZDC-UHFFFAOYSA-N 345.424 1.512 0 40 EDAB C[C@]1(NC(=O)CNc2cc(Cl)ccc2F)CCS(=O)(=O)C1 40473978 SWZRKGCYXFDTAJ-ZDUSSCGKSA-N 334.800 1.584 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3cc(C)on3)ccc21 40520515 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1.123 0 40 EDAB CCCCn1c(=O)c2sccc2n(CC(=O)NC(C)(C)C)c1=O 57427282 JHELRBCKYUERFS-UHFFFAOYSA-N 337.445 1.940 0 40 EDAB CCOc1ccccc1NCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 57896095 SSINODLBZRXNHH-LBPRGKRZSA-N 326.418 1.143 0 40 EDAB O=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1cc(F)ccc1F 57947864 QVFVPZJOWHZOTO-UHFFFAOYSA-N 339.298 1.004 0 40 EDAB CC(C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)c1 27263059 CPSDJHLYBFTZPM-CQSZACIVSA-N 346.431 1.688 0 40 EDAB CS(=O)(=O)c1ccc(NCCc2ccco2)c(S(C)(=O)=O)c1 58018185 WREXRSGBUXOGPE-UHFFFAOYSA-N 343.426 1.741 0 40 EDAB CCCN(CC(=O)OC)S(=O)(=O)c1cc(OC)c(OC)cc1C 58197976 ZXJOMNONRBBKSB-UHFFFAOYSA-N 345.417 1.586 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CN1CCCC1=O)c1ccc(F)cc1 44890801 RMOKOQDJAIZRAV-MRXNPFEDSA-N 330.363 1.387 0 40 EDAB CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)F)C1 58265987 ZAQKLRCXSCTKJS-LLVKDONJSA-N 348.371 1.577 0 40 EDAB O=C(CCc1nc(-c2cccnc2)no1)NC[C@H]1CCN(C2CC2)C1 44939827 HTUKDTNDACGFCE-CYBMUJFWSA-N 341.415 1.665 0 40 EDAB O=c1c(Cl)c(N2CCOCC2)cnn1-c1nc2ccccc2[nH]1 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CC(C)CCn1c(N2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 4225952 OICXPTLZOSEFAO-CHWSQXEVSA-N 347.463 1.952 0 40 EDAB NC(=O)Cn1cc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cn1 65444384 XPGQNUVUNPYCIY-AWEZNQCLSA-N 347.350 1.113 0 40 EDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C2CCOCC2)C1=O 65494902 DYMCXFJZLBELTN-GOSISDBHSA-N 345.399 1.388 0 40 EDAB Cc1csc(CCNCc2c(C)nn(C)c2N2CCOCC2)n1 65474332 OGBFZKUYEFXDIG-UHFFFAOYSA-N 335.477 1.662 0 40 EDAB COc1ccc(CNCCNC(=O)c2ccncc2)c(OC)c1OC 4498135 QARHFBPNUVIGMG-UHFFFAOYSA-N 345.399 1.627 0 40 EDAB CN(C)C(=O)CNC(=O)c1cc(Br)c2c(c1)OCCO2 65536119 SSJXCWXVMCMTEG-UHFFFAOYSA-N 343.177 1.038 0 40 EDAB COC(=O)CC[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OC 14162552 SBCJQAIIJIUSDE-MRXNPFEDSA-N 343.379 1.993 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(F)c1)n2CCOC 6567024 AYOGWHJTRGZDLK-UHFFFAOYSA-N 346.362 1.749 0 40 EDAB Cc1ccc(N([C@H](C)C(=O)NCc2ccccn2)S(C)(=O)=O)cc1 4749362 GGELITUDEXVKRI-CQSZACIVSA-N 347.440 1.861 0 40 EDAB O=C(COC(=O)c1cccc2ccccc12)N[C@H]1CCS(=O)(=O)C1 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1.933 0 40 EDAB CNC(=O)[C@H](NC(=O)Cn1nccc1-c1ccncc1)c1ccccc1 83881782 WNOPSNWFKOOVLH-GOSISDBHSA-N 349.394 1.549 0 40 EDAB O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1n[nH]c(O)n1 71905368 ZGGNAPMNMRDWHH-UHFFFAOYSA-N 338.249 1.967 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(CCC(=O)NC3CCCCC3)CCO2)n1 72268131 RZCBQLJBXSWKBR-QGZVFWFLSA-N 349.479 1.435 0 40 EDAB CC(=O)N1CCCN([C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 110567581 KKPNXILIVVSPCJ-YFUQURRKSA-N 335.492 1.870 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)[C@H](C)S(=O)(=O)C(C)C)C2)no1 72231772 DYWBJYKUHVOTIJ-JQWIXIFHSA-N 329.422 1.296 0 40 EDAB C[C@H]1CC[C@H](C)N1CCN1CCN(C(=O)NCc2ccccn2)CC1 72274171 KQNKEBZMJAGOGP-IRXDYDNUSA-N 345.491 1.782 0 40 EDAB COc1ccsc1S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 97015054 WEXXWLZIYMEPKC-LBPRGKRZSA-N 343.430 1.252 0 40 EDAB NC(=O)Cn1cc(Nc2ccnc3cc(Br)cnc23)cn1 97163267 HOWDJLUCSACVIN-UHFFFAOYSA-N 347.176 1.818 0 40 EDAB O=C(NCCn1ccnc1)N1CCO[C@@H](CCc2ccccc2)C1 97110229 YVZARBVMUGCZKA-KRWDZBQOSA-N 328.416 1.926 0 40 EDAB O=C(c1ncc(Br)cc1Br)N1CC(O)C1 97135365 XUHSPTMKOUVQJE-UHFFFAOYSA-N 335.983 1.423 0 40 EDAB Cc1cnn(Cc2cc(C(=O)N[C@H](CO)c3ccccc3)no2)c1 97232923 CAOYXLXYWVGRFT-MRXNPFEDSA-N 326.356 1.691 0 40 EDAB O=C(CN1Cc2ccccc2[C@H](n2cccn2)C1)NC[C@@H]1CCCO1 95398611 QZDNGWYPAPBDSO-FUHWJXTLSA-N 340.427 1.583 0 40 EDAB Cc1ccnn1-c1cccc(NC(=O)N[C@H]2CCC(=O)N(C)C2)c1 95399545 CJUZTRVOYDIHFS-AWEZNQCLSA-N 327.388 1.923 0 40 EDAB CCN1N=C(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CCC1=O 84779848 OGAVMCTWKJKGKH-LBPRGKRZSA-N 331.376 1.609 0 40 EDAB O=C(Nc1cc(F)cc(Br)c1)N1CCN(CCO)CC1 95418810 PDPVJFBUDGGCCH-UHFFFAOYSA-N 346.200 1.730 0 40 EDAB CC(C)n1nc2c(cc1=O)CN(C[C@H](O)COCc1ccco1)CC2 76064423 AQYQZDCLLFHYCP-HNNXBMFYSA-N 347.415 1.353 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cc(C4CC4)on3)CCO2)n1 76045840 WQSDCYSJNMXKGI-CYBMUJFWSA-N 331.376 1.836 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)CCO2)n1 76046719 LKJBDYMTBOBDIA-KBPBESRZSA-N 335.452 1.532 0 40 EDAB C[C@@H](C(=O)N1CCO[C@@H](c2nc(C(C)(C)C)n[nH]2)C1)n1ccnc1 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1.911 0 40 EDAB Cc1nn(C)c2c(=O)n(C)c(N3CCN(c4ccccc4)CC3)nc12 32651507 CTUVYAVCZDCKJM-UHFFFAOYSA-N 338.415 1.302 0 40 EDAB O=C(Nc1cncc(Br)c1)N[C@@H]1CCc2ncnn2C1 120319028 XDDYOYYMSLYVJB-SECBINFHSA-N 337.181 1.572 0 40 EDAB Cc1cnn(CCCNC(=O)N[C@@H](C)C(=O)Nc2ccccc2)c1 78988768 BYKYKCOCYQUDJM-AWEZNQCLSA-N 329.404 1.908 0 40 EDAB COc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 71287654 WRVLRMQEOLLZBI-KGLIPLIRSA-N 346.383 1.883 0 40 EDAB Cc1nc(C2CC2)ccc1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[nH]1 563269401 NHQJOBCFNQOTET-AWEZNQCLSA-N 326.404 1.786 0 40 EDAB O=C(NCCS(=O)(=O)Cc1ccccc1)NCc1cccnc1 42894976 WJCPRAKETHDGRB-UHFFFAOYSA-N 333.413 1.496 0 40 EDAB O=C(NC[C@@H](O)CN1CCCCC1)N[C@H]1CCOc2ccccc21 61954597 HEPMKFPOSCGUOF-ZBFHGGJFSA-N 333.432 1.656 0 40 EDAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccccn3)ccc21 225688892 CQAGQFTUKFUMIM-UHFFFAOYSA-N 349.437 1.956 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Cc2ccn(C)n2)cc1 583622892 BWDKEDPASPFGKG-PKOBYXMFSA-N 343.427 1.870 0 40 EDAB 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CC(C)c1cc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)on1 257211928 CBCYWTQKWREZNV-GOSISDBHSA-N 344.415 1.954 0 40 EDAB C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H](CO)c1nncn1C 585128111 RXEBBCGTOIXAIC-MWLCHTKSSA-N 340.836 1.799 0 40 EDAB COC(=O)N(C)CCCC(=O)Nc1cn(-c2cccc(OC)c2)nn1 585124915 ZZXJMEGHFYCFMH-UHFFFAOYSA-N 347.375 1.693 0 40 EDAB O=C(Cc1ccccc1F)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257313735 UTXBEEOVHYMTAT-HUUCEWRRSA-N 342.361 1.671 0 40 EDAB CN(C[C@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1ccncn1 257201393 AHMYVQKJJOIRCI-QGZVFWFLSA-N 345.378 1.114 0 40 EDAB Cc1cncc(C(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)c1 257250465 JMPQBLFGVDKWOA-MRXNPFEDSA-N 326.400 1.841 0 40 EDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)Cc2c(C)nc3ccccn23)[C@H]1O 257333155 YAJXAYAEHULTMJ-DDUZABMNSA-N 331.416 1.572 0 40 EDAB C[C@@]1(c2ncc(CNC(=O)CCn3ccnc3)cn2)CCCCO1 257237674 HHOLZRJLQVGYMZ-KRWDZBQOSA-N 329.404 1.795 0 40 EDAB O=C(NCc1ncc(-c2ccccc2C(=O)O)cn1)c1cnccn1 257206975 BFRWHKJKMUXATP-UHFFFAOYSA-N 335.323 1.562 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@H](O)[C@H]1N1CCc2ccccc2C1 257255167 KGJWNJTZPLPHAF-QZWWFDLISA-N 348.443 1.432 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 257246707 IVKYPBYWBDLFHL-KRWDZBQOSA-N 343.383 1.835 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](c2nccnc2N(C)C)C1 257271201 MXHMWBXVTLBXDJ-AWEZNQCLSA-N 344.419 1.025 0 40 EDAB Cn1ccc(C(=O)N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)n1 257295408 QYERTYODWFHQAO-HOCLYGCPSA-N 333.363 1.604 0 40 EDAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)Cc1cccs1 257204445 AUQIKAFOJIVZML-QGZVFWFLSA-N 346.456 1.571 0 40 EDAB COc1ccccc1[C@@H]1CN(Cc2cncnc2)CCN1C(C)=O 257339966 ZDYFYJUAJOMISO-KRWDZBQOSA-N 326.400 1.891 0 40 EDAB O=C(N1CCCC1)[C@@]1(c2cnccn2)CCCN1Cc1cncnc1 257314925 UZEIXYLMNOOABB-SFHVURJKSA-N 338.415 1.380 0 40 EDAB Cc1cc2cc(C(=O)N3C[C@@H](O)[C@H](N4CCOCC4)C3)ccc2o1 257317453 VJUXJEAJYFHOSL-HZPDHXFCSA-N 330.384 1.259 0 40 EDAB Cc1onc(C(C)C)c1C(=O)NC[C@@]1(O)CCN(c2ncccn2)C1 257216491 CUSKCWWBZSJQNT-KRWDZBQOSA-N 345.403 1.268 0 40 EDAB COc1ncnc(OC)c1C(=O)Nc1ccc([C@H](C)C(=O)O)cc1 263290797 MCSGIXRGNHMPSF-VIFPVBQESA-N 331.328 1.934 0 40 EDAB Cc1ccnc2nc(C(=O)Nc3cc([C@@H]4CCCOC4)nn3C)nn12 279700264 VWMOGKCKPPWSAO-LLVKDONJSA-N 341.375 1.313 0 40 EDAB CCO[C@H](CS(=O)(=O)N1CCc2cc(C(=O)O)ccc21)C1CC1 624815839 FXEQYZGXIHQJQU-OAHLLOKOSA-N 339.413 1.892 0 40 EDAB CN(C[C@@H]1COCCO1)c1nnnn1Cc1ccc(F)c(Cl)c1 1616033660 SNUGQEZUKLZXGC-LLVKDONJSA-N 341.774 1.366 0 40 EDAB Cc1ccc(O[C@@H](C)Cn2nnnc2N(C)C[C@H]2COCCO2)cc1 1616033319 NLSYNGYWOKQKBC-HOCLYGCPSA-N 347.419 1.301 0 40 EDAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN[C@H](C(=O)O)C2)cc1 1616036594 YUBBUIQHNKZRQN-RISCZKNCSA-N 326.418 1.247 0 40 EDAB CC(C)CC(=O)N1CCn2cc(CC(=O)N3CCOCC3)nc2[C@H]1C 585097956 PSINUTKRCWRXKS-CQSZACIVSA-N 348.447 1.234 0 40 EDAB Cc1cc(NC(=O)NC[C@]2(N3CCOCC3)CCSC2)n(C)n1 43432565 OCUMSMFBLNTJEN-OAHLLOKOSA-N 339.465 1.058 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)NCCc1ccc2c(c1)OCO2 48253327 UJMLIAXTVIXKJO-UHFFFAOYSA-N 343.387 1.337 0 40 EDAB N[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 50241928 IPJMYLRGANZPBF-QMMMGPOBSA-N 339.642 1.824 0 40 EDAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NC1CCCCC1 52660194 BTSZPWCYQORAKT-UHFFFAOYSA-N 336.436 1.873 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](C(N)=O)c2ccccc2)c1 68732086 MYVIAHPONVSOQD-CXAGYDPISA-N 340.379 1.999 0 40 EDAB CN(CCOc1cccc(F)c1)C(=O)c1ccc(-n2ccnc2)nn1 69394323 SPYVFLRORSBHPX-UHFFFAOYSA-N 341.346 1.952 0 40 EDAB Cc1ccccc1C[S@@](=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 69704776 LEOJGCLKHQDLJM-DEOSSOPVSA-N 348.468 1.325 0 40 EDAB CCN(CC(=O)NC(=O)Nc1cccc(C)c1C)CC(=O)N(C)C 70039276 ARLOUKNFXOYNQL-UHFFFAOYSA-N 334.420 1.362 0 40 EDAB COCCN(C)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 65608911 GRRNRUPGEHYTJK-UHFFFAOYSA-N 329.441 1.921 0 40 EDAB Cc1nccc(N2CCO[C@@H](Cn3cncn3)C2)c1Br 892380422 XISHUZCFDZYWGJ-LLVKDONJSA-N 338.209 1.649 0 40 EDAB CS(=O)(=O)c1ccccc1N1CCC[C@H](CN2CCOCC2)C1 78250060 WDVWHRZDIRHNSH-OAHLLOKOSA-N 338.473 1.639 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CCCN[C@@H]2C2CC2)cc1 1615044366 APNKNZNIGYKWSW-IAGOWNOFSA-N 329.444 1.783 0 40 EDAB CCOC(=O)C(F)(F)C1(O)CCN(C(=O)[C@@](C)(CC)OC)CC1 1615585976 JZJTXWNKBFGJFO-CYBMUJFWSA-N 337.363 1.353 0 40 EDAB CCOc1ccc(NC(=O)NC(=O)N(C(C)C)S(C)(=O)=O)cc1 5165320 ZXGLSVYBYNJLRY-UHFFFAOYSA-N 343.405 1.997 0 40 EDAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)C(=O)O 5833266 QWPWHUQCJADAAL-LLVKDONJSA-N 349.792 1.816 0 40 EDAB CCn1cc(CN2CCC(O)(Cn3nc(C)ccc3=O)CC2)c(C)n1 12325251 WTIXULLROHEROW-UHFFFAOYSA-N 345.447 1.104 0 40 EDAB CNC(=O)c1cc([C@H]2CCN(C(=O)COC)C2)nc2ccccc12 19754604 IHILUMDSTZTJDM-LBPRGKRZSA-N 327.384 1.557 0 40 EDAB C[C@@H](CNC(=O)N1CCCN(C(=O)C2CC2)CC1)c1nccs1 152942896 QRARYTUSDCOLLT-LBPRGKRZSA-N 336.461 1.901 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](Oc3ccc(C)nn3)C2)CC1 225460377 GSPCUQDANPOKSU-MRXNPFEDSA-N 346.431 1.413 0 40 EDAB CC(C)N1CC[C@H](N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)C1=O 1888842589 RXYYUEFBWDXREK-OAGGEKHMSA-N 341.411 1.117 0 40 EDAB O=C(c1ccncc1)N1C[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888850438 QLEUNAPCEGOIJC-HZPDHXFCSA-N 335.411 1.957 0 40 EDAB O=C1[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C(=O)N1c1ccccc1 1888854058 FXNUZVJQUSVWLK-HUUCEWRRSA-N 334.379 1.980 0 40 EDAB Cc1cn2nc(N3CCN(c4ccc5nnc(C)n5n4)CC3)ccc2n1 1888914152 YXGKMWQJFZGGRD-UHFFFAOYSA-N 349.402 1.110 0 40 EDAB O=C(NCC1(O)CSCCSC1)c1noc2c1CCCC2 1889068118 XNIMQUYZWCIOND-UHFFFAOYSA-N 328.459 1.494 0 40 EDAB O=C(CCNC(=O)c1ccco1)OCc1nnnn1-c1ccccc1 17705598 MSVYYNJGDYHSBJ-UHFFFAOYSA-N 341.327 1.119 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCCCn2cccn2)C1=O 30168440 QPVBEXDSEPBLKY-AWEZNQCLSA-N 342.399 1.594 0 40 EDAB Cc1cn(C)nc1C(=O)N1CC[C@@H](N(C)c2cncc(Cl)n2)C1 1056914159 URIMIEHRBIHGPI-LLVKDONJSA-N 334.811 1.523 0 40 EDAB Brc1cnc(N2CCCN([C@H]3CCOC3)CC2)nc1 1776000503 LBBJJYLHDXIYQJ-LBPRGKRZSA-N 327.226 1.540 0 40 EDAB CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 4505274 QFTQALOXEABIKP-ZDUSSCGKSA-N 349.449 1.660 0 40 EDAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(S(C)(=O)=O)CC1 2055756530 QFSBAKACHCCBJU-UHFFFAOYSA-N 339.461 1.417 0 40 EDAB Cn1nc(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)ccc1=O 49031877 YUOWPJXQTKPMSR-UHFFFAOYSA-N 337.339 1.070 0 40 EDAB COc1cc(N2CC[C@@H]3OCC[C@H](C(=O)NC(C)C)[C@H]3C2)ncn1 503814653 PMLRGFHOUPRPTB-MJBXVCDLSA-N 334.420 1.241 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)NCc1cn(-c2cccnc2)nn1 575617483 CUGIBFARCIXWOA-UHFFFAOYSA-N 337.339 1.250 0 40 EDAB O=C1C[C@H](c2ccc(S(=O)(=O)NCc3ccncc3)cc2)CN1 56389 PQXSODISIFCUTF-AWEZNQCLSA-N 331.397 1.164 0 40 EDAB aggregator Cc1cc(CN(C)C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)no1 31115243 NPNGDQYXILFXHZ-HNNXBMFYSA-N 341.371 1.062 0 40 EDAB CC1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 40476312 QFAOYFFHMPIZIA-UHFFFAOYSA-N 325.434 1.318 0 40 EDAB C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)c(Cl)c2)CCO1 40540017 KMWNMOSCAATLCY-VIFPVBQESA-N 335.784 1.500 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)N[C@H]3CCCCNC3=O)ccc21 40521526 UCDXJFPOSFEWIN-ZDUSSCGKSA-N 342.399 1.123 0 40 EDAB O[C@H]1[C@H](O)CO[C@@H]1c1nn(-c2ccccc2)c2nc3ccccc3nc12 1581857 QTWIDAWUZRIGSF-FHLIZLRMSA-N 348.362 1.762 0 40 EDAB N=c1c2c(ncn1CCO)Oc1cc(O)ccc1[C@@H]2c1ccco1 101362631 ACLOIWVOEPXTTM-CQSZACIVSA-N 325.324 1.939 0 40 EDAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 3453938 LWARZHCBOZLZEI-LBPRGKRZSA-N 345.424 1.724 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O 4015578 BJNDMOOUEOJJEV-UPJWGTAASA-N 343.468 1.942 0 40 EDAB COCCN1CCN(CC(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 69654074 MQOOBZOQNNPFAZ-HNNXBMFYSA-N 345.443 1.874 0 40 EDAB COc1cccc(NC(=O)CN(C)C(=O)CN2C[C@H](C)O[C@@H](C)C2)c1 20963068 NWJARQSOZSFUQK-KBPBESRZSA-N 349.431 1.201 0 40 EDAB COCCN(CCOC)C(=O)CN1CCC(N2CCCCC2)CC1 4968987 GITKLIUUSCAUHA-UHFFFAOYSA-N 341.496 1.058 0 40 EDAB Cn1cccc1C(=O)NC(=O)COC(=O)CCC(=O)c1cccs1 6121539 KFNJDLSOHHVFFJ-UHFFFAOYSA-N 348.380 1.549 0 40 EDAB CCc1ccc2[nH]c3nc(SCC(=O)NCCOC)nnc3c2c1 6359307 JQEACLUHCURPGJ-UHFFFAOYSA-N 345.428 1.923 0 40 EDAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)C(F)(F)F)c1 7387858 QJYHWNJLVLBUKB-UHFFFAOYSA-N 345.321 1.726 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 7989624 SJFUUKFHFUNTRN-UHFFFAOYSA-N 343.368 1.318 0 40 EDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 2624873 QLPCTZWUEPLYGH-UHFFFAOYSA-N 334.344 1.428 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)no1 2643434 HLDXLJPVKIWPAZ-CYBMUJFWSA-N 342.355 1.475 0 40 EDAB COc1ccc(/C=C2\C(=O)NC(=S)N2C(=O)[C@H]2CCCO2)cc1 59471497 RPDVJRCCUODBND-CNELAYHGSA-N 332.381 1.458 0 40 EDAB COCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 10128531 XAWLNSSJKXCTNP-HNNXBMFYSA-N 340.445 1.301 0 40 EDAB Cc1nc(C)c(CCC(=O)N(C)CCOc2ccc(F)cc2)c(=O)[nH]1 32841789 JHWSLAYXCIPFCK-UHFFFAOYSA-N 347.390 1.996 0 40 EDAB CC(=O)Nc1nc(Cl)c(NC=O)c(N[C@H]2C=C[C@@H](CO)C2)n1 59833070 VYRZLOKIHFRHKX-BDAKNGLRSA-N 325.756 1.006 0 40 EDAB CC(C)[C@@H](CNC(=O)[C@@H]1CC(=O)Nc2ccccc21)N1CCOCC1 41934527 QHEVHWTUGONELY-NVXWUHKLSA-N 345.443 1.585 0 40 EDAB COC(=O)c1occc1Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 21925364 GDFMVOASUYZNJW-UHFFFAOYSA-N 344.245 1.394 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(Cc2ccco2)CC1 23467647 IIVKTEWJTOOFRE-OAHLLOKOSA-N 345.447 1.775 0 40 EDAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(NS(C)(=O)=O)CC2)C1(C)C 54483831 PLIYVPWMEVNJAZ-ZIAGYGMSSA-N 328.478 1.765 0 40 EDAB O=C(CN1CCN(c2ccccn2)CC1)N1CCC(c2ccccc2)=N1 23701546 MIHVBWXIVYXMMQ-UHFFFAOYSA-N 349.438 1.840 0 40 EDAB O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CCC1 24275173 IREJGZPNDNYLKJ-UHFFFAOYSA-N 335.454 1.939 0 40 EDAB COCCN1C(=O)C[C@H](N2CCN(c3cccc(C)c3C)CC2)C1=O 24529006 QOMHWEDUYSUCHY-KRWDZBQOSA-N 345.443 1.199 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)NC(=O)NCc1ccco1 7982509 HHNCFARGAZIVTE-UHFFFAOYSA-N 326.312 1.016 0 40 EDAB CCN(CC(=O)NC[C@H]1CCCO1)Cc1ccc(OC)c(OC)c1 25358215 ZWBYLIABPNBNNJ-OAHLLOKOSA-N 336.432 1.821 0 40 EDAB C[C@H]1CN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 12532145 XTRCYIVYYGOCHL-GASCZTMLSA-N 333.432 1.571 0 40 EDAB Cn1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1=O 44610822 RATBZVKWLJTAKE-QGZVFWFLSA-N 341.411 1.189 0 40 EDAB Cc1ccc(N2C(=O)C(=O)N(CC(=O)OC(C)(C)C)C2=O)c(C)c1 27281257 CIGKQKWJPKWVOC-UHFFFAOYSA-N 332.356 1.940 0 40 EDAB CNC(=O)NC(=O)[C@H](C)NCC1(c2ccccc2OC)CCOCC1 58159453 GPVWLGWGQDAQSA-ZDUSSCGKSA-N 349.431 1.177 0 40 EDAB C[C@@H](NC(=O)Cc1noc2ccccc12)C(=O)NCc1ccco1 58283274 ZYEASUJCCRWCET-LLVKDONJSA-N 327.340 1.784 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)N[C@@H]1CCN2CCCC[C@H]12 44969088 STXANFSHDHZZJQ-HUUCEWRRSA-N 341.419 1.088 0 40 EDAB Cn1ncc(C(=O)NCCCOC[C@@H]2CCCO2)c1-n1cccc1 44916172 NRPQOOWVQNAART-AWEZNQCLSA-N 332.404 1.526 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1C[C@H](O)c1cc(F)ccc1F 48374248 WQMQRRFZXSYVRF-FZMZJTMJSA-N 328.340 1.426 0 40 EDAB COCC(=O)NC1CCN(Cc2nc(-c3ccccc3)no2)CC1 48332041 WERBEAFNGYNEBJ-UHFFFAOYSA-N 330.388 1.464 0 40 EDAB C[C@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1ccco1 8134381 PNYWMAJOUXREBM-NSHDSACASA-N 327.340 1.550 0 40 EDAB C[C@@H]1Oc2ccc(NC(=O)Cn3nnc4ccccc43)cc2NC1=O 13002741 FOLRPYSUCBTCBH-JTQLQIEISA-N 337.339 1.789 0 40 EDAB CCNc1ncc(S(=O)(=O)NCc2cnn(C)c2)cc1Cl 81694006 DYPLMODQMVRGCO-UHFFFAOYSA-N 329.813 1.379 0 40 EDAB C[C@H](NC(=O)CN[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)C1CC1 69742717 XQJXIXCYCVNEPP-SWLSCSKDSA-N 347.463 1.416 0 40 EDAB CC(C)N1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1 70014678 RJYBHJSSDSZGQZ-UHFFFAOYSA-N 348.266 1.559 0 40 EDAB Cn1cccc1C(=O)NC(=O)CSc1nnnn1C1CCCC1 8315070 WXAIFSJAHVPHFH-UHFFFAOYSA-N 334.405 1.175 0 40 EDAB C[C@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)N1CCCC1 4250359 YCGRGAWZXHLIJE-LBPRGKRZSA-N 343.383 1.410 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)c3ccc(OCC(N)=O)cc3)C2)c1 69453187 AGPNYXAGJYDKPT-HNNXBMFYSA-N 342.399 1.533 0 40 EDAB Cc1ccc([C@@H](NC(=O)CN2CCn3c(C)nnc3C2)C2CC2)cc1 69484955 IFASAZLYTHGMLD-LJQANCHMSA-N 339.443 1.978 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2CCCC[C@H]2C2OCCO2)c1 69489922 ZTGSKIMWVKEYOG-HNNXBMFYSA-N 348.399 1.639 0 40 EDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1ccc(Cl)o1 65434108 BHRIGLLHBFSSJW-NEPJUHHUSA-N 328.796 1.400 0 40 EDAB COc1ccccc1[C@H](CNC(=O)N[C@@H](C)Cn1cccn1)N(C)C 65440771 OVQXWTUZILRKGB-HOCLYGCPSA-N 345.447 1.882 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 65554656 VRFUPYNOFPEDDP-IAGOWNOFSA-N 345.443 1.764 0 40 EDAB COCCNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 113961903 SXDJQHVBUNFPCJ-UHFFFAOYSA-N 342.461 1.612 0 40 EDAB CCCN1C(=O)C(=O)N(CN2CCC[C@H]2c2ccc(OC)cc2)C1=O 14121032 MJASIUZEPKCIEV-HNNXBMFYSA-N 345.399 1.990 0 40 EDAB CC[C@H](C)C(=O)NCC(=O)NCc1ccccc1N1CCOCC1 65607655 KYDSEARKSDEPHF-AWEZNQCLSA-N 333.432 1.302 0 40 EDAB C[C@H](CNC(=O)Cn1c(C2CC2)nc2ccccc21)N1CCOCC1 65611508 GRPNBLIYZNZYAT-CQSZACIVSA-N 342.443 1.751 0 40 EDAB COC(=O)CNC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 6549573 UFGAOHFYXCMWQT-UHFFFAOYSA-N 346.412 1.526 0 40 EDAB CC[C@H](C)N(C)CCNC(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1 66125059 QFYGWLSIFUNDLJ-LBPRGKRZSA-N 346.431 1.170 0 40 EDAB CC[C@H](C)NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 69570515 GGYICJVJIZAYPL-AWEZNQCLSA-N 333.436 1.218 0 40 EDAB CCn1cc(Br)cc1C(=O)N1CCN(C[C@H](C)O)CC1 69870754 CKDWOWBODALESR-NSHDSACASA-N 344.253 1.409 0 40 EDAB Cc1c(C(=O)NCC(C)C)nnn1-c1cccc2c1CCN(C)C2 69844341 PFMZFIQXFGHVPD-UHFFFAOYSA-N 327.432 1.949 0 40 EDAB C[C@@H](CCN1CCOCC1)NC(=O)COc1ccc(Cl)cc1 69873528 HCOYHNFHTJPHLL-ZDUSSCGKSA-N 326.824 1.946 0 40 EDAB COc1cc2ncn(CC(=O)Nc3cc(C)on3)c(=O)c2cc1OC 7063475 HSLWMESIRSOWKV-UHFFFAOYSA-N 344.327 1.349 0 40 EDAB O=C(O)[C@@H]1CS[C@H](Cc2ccccc2Br)C(=O)N1 62712275 OIAOEBVYBRZTER-VHSXEESVSA-N 330.203 1.676 0 40 EDAB COc1c(NS(=O)(=O)Cc2ccc(F)cc2F)c(C)nn1C 92864337 IOMPGHOUVAEOCR-UHFFFAOYSA-N 331.344 1.957 0 40 EDAB O=C1CN(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)CCN1 89878969 QLDNZNXNUQWJBR-MRXNPFEDSA-N 344.802 1.966 0 40 EDAB COCc1ccc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)o1 93142192 ODBBGLBASVEVKS-UHFFFAOYSA-N 349.475 1.802 0 40 EDAB C[C@@H](CS(=O)(=O)N1CCc2c(nc[nH]c2=O)C1)c1ccccc1 96012529 WHOZOHKPASMMHT-LBPRGKRZSA-N 333.413 1.262 0 40 EDAB CC(=O)N1CCN(C(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 9341884 DTRUVQWHYNEBOQ-UHFFFAOYSA-N 336.417 1.032 0 40 EDAB CN1C(=O)[C@H](NC(=O)C(=O)NCCc2ccccc2)c2ccccc21 9306419 FUUJOOFIOZTXKK-MRXNPFEDSA-N 337.379 1.179 0 40 EDAB Cc1ccc(NC2=NN/C(=c3\ccc4c(c3)OC(=O)N=4)CS2)cc1 96924930 XGRNOFSDRDLRKB-SDNWHVSQSA-N 338.392 1.955 0 40 EDAB CCCS(=O)(=O)CCN1CCN(c2cc(F)ccc2F)CC1 89960356 UBAFCVGFEHZKIQ-UHFFFAOYSA-N 332.416 1.912 0 40 EDAB COCCN1CCN(Cc2nc(-c3ccccc3OC)no2)C[C@H]1C 72279850 NGZGNBUTGRYETN-CQSZACIVSA-N 346.431 1.898 0 40 EDAB Cc1cc(C)c(CNC(=O)NCCCN2C(=O)CCC2=O)c(C)c1 71879826 KHSPRMIQDIYEAK-UHFFFAOYSA-N 331.416 1.950 0 40 EDAB NC(=O)COc1ccc(/C=C/C(=O)N2CCN3CCCC[C@H]3C2)cc1 71839931 DVLJPICCFBEWPE-FSNWXROXSA-N 343.427 1.261 0 40 EDAB CC(=O)N1CCc2cc(C(=O)NCCc3n[nH]c(=S)n3C)ccc21 71847012 DUVRLHHKXCHXSA-UHFFFAOYSA-N 345.428 1.359 0 40 EDAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1F 71825654 XYAGACRVOIWVJE-UHFFFAOYSA-N 326.331 1.938 0 40 EDAB Cc1ncc(/C=C/C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)s1 71899976 NYBBQBLTVUJYKR-VOTSOKGWSA-N 344.396 1.319 0 40 EDAB O=C(NC1CCC(O)CC1)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 71803876 FFCQYJTXRMGRAF-HWOWSKLDSA-N 331.416 1.390 0 40 EDAB O=C1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CCN1 71839585 IMZZVTSYDDWXOO-UHFFFAOYSA-N 338.791 1.392 0 40 EDAB CCn1cc([C@@H]2OCC[C@@H]2CNCc2cccc(C(N)=O)c2)cn1 83843523 OORVZTJROWLMLV-NVXWUHKLSA-N 328.416 1.869 0 40 EDAB CN(C)c1cccc(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 71921899 WJXWGGJKJVTVQB-UHFFFAOYSA-N 347.806 1.201 0 40 EDAB C[C@H]1SCCN(Cc2cc(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1 71911168 WOJAFUVMEFZWAJ-CXAGYDPISA-N 345.468 1.763 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccco2)CC1 72270866 MDLCYLSQHDDXRY-CVEARBPZSA-N 339.395 1.692 0 40 EDAB Cc1[nH]c(=O)c(C(=O)N[C@H](C)c2ncon2)cc1Br 97102524 ZHJSAJAXYUYIOR-ZCFIWIBFSA-N 327.138 1.320 0 40 EDAB CC(C)[C@@H](NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C(N)=O 72302871 PRQKCABAVMKXCL-CYBMUJFWSA-N 328.372 1.854 0 40 EDAB Cc1cc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)sc1C 72311554 HZIFFDNKZDEBNR-MRXNPFEDSA-N 335.429 1.815 0 40 EDAB CCN(C(=O)NCc1ccnn1C)[C@H]1CCN(c2ccccc2)C1=O 84431569 HUWLWTNOMMMSLN-INIZCTEOSA-N 341.415 1.757 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)N3CCc4cncnc4C3)CC2=O)cc1 95396053 NAMBUOHIEOBJLN-OAHLLOKOSA-N 336.395 1.723 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@@H]1N(C)C 84735567 NSOWDLVAVIQYBX-ZBFHGGJFSA-N 343.427 1.902 0 40 EDAB CC(C)Oc1ccc(CNC[C@@H](Cc2cnn(C)c2)C(N)=O)cc1 95467216 CEKGDURUUKEDGY-MRXNPFEDSA-N 330.432 1.641 0 40 EDAB CCc1cc(NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)n(C)n1 95461233 XSRAZZYEFCCSBF-UHFFFAOYSA-N 330.344 1.331 0 40 EDAB CN(c1cccc(C(=O)NCCCn2ccnc2)c1)S(C)(=O)=O 98087181 IFAPKKGXNFUKOU-UHFFFAOYSA-N 336.417 1.099 0 40 EDAB Cc1ccc(NCC(=O)Nc2c(C)nn(C)c2C)cc1-n1cnnn1 79065880 ZVEODAISHDKXDG-UHFFFAOYSA-N 340.391 1.372 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 89496988 PVGNCBBITGHJHV-MGPQQGTHSA-N 325.453 1.842 0 40 EDAB COC(=O)[C@H](C)c1c(C)nn(Cc2nnnn2-c2ccccc2)c1C 89520867 RFXYYMDIBPUVJV-LLVKDONJSA-N 340.387 1.800 0 40 EDAB Cc1cc(CN2CCC[C@H]([C@@]3(C)NC(=O)N(C(C)C)C3=O)C2)no1 89604795 MMVCZGVEWJQJSA-SUMWQHHRSA-N 334.420 1.914 0 40 EDAB O=C(NCCCCCO)C(=O)Nc1cccc(Br)c1 170389791 NVTZKVVEVPGQCQ-UHFFFAOYSA-N 329.194 1.666 0 40 EDAB CCOc1ncccc1CNC(=O)c1ccc(S(C)(=O)=O)cc1 31323176 CUSCQFCJIKDHSB-UHFFFAOYSA-N 334.397 1.814 0 40 EDAB Cn1nc(C(=O)N2CCOCC2)cc1C(=O)NC1CCCCCC1 36612396 DPDRRMXZKMMPNT-UHFFFAOYSA-N 334.420 1.345 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2OC)oc1C 38489288 BJINOONQHKEGQH-UHFFFAOYSA-N 338.385 1.435 0 40 EDAB CCOC[C@H]1CN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)CCO1 527826596 KWZRVSRWCFPAAS-LSDHHAIUSA-N 336.436 1.516 0 40 EDAB O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)NC[C@@H]1CCCO1 35592806 AMLRXTINFRORGD-AWEZNQCLSA-N 344.367 1.951 0 40 EDAB Cn1cnc([C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2Nc2ncccn2)c1 1052681021 CIQPTCSCTSPLBC-SWLSCSKDSA-N 337.387 1.259 0 40 EDAB COc1cc(N2CCN(C(=O)COc3ccsc3)CC2)ncn1 554528615 JBSUOSNYKDOTCW-UHFFFAOYSA-N 334.401 1.274 0 40 EDAB CS(=O)(=O)[C@H]1CSCCN1C(=O)c1cccc2ncccc12 121560694 ZXRUKVFNPMMHTM-AWEZNQCLSA-N 336.438 1.795 0 40 EDAB Cc1ccc(NC(=O)C[C@H](NCCCN(C)C)C(=O)O)cc1Cl 56964147 NQNNGRUOZDHEBB-AWEZNQCLSA-N 341.839 1.972 0 40 EDAB O=C(NC[C@@H](O)Cc1ccccc1)C(=O)Nc1ccccc1Cl 70639384 ZGYZJNKYGXFFBM-ZDUSSCGKSA-N 332.787 1.998 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@@]2(N)CN)cc1 218627971 AXBGAARAMWESOR-BBWFWOEESA-N 334.416 1.730 0 40 EDAB COc1ccc([C@H]2[C@H](C(=O)N3CCOCC3)CCC(=O)N2C)cc1 72242015 RTWPZZLECKPBPW-WBVHZDCISA-N 332.400 1.464 0 40 EDAB CC(C)NC(=O)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 32093137 BZSDBQUDFWGRCX-CYBMUJFWSA-N 339.417 1.133 0 40 EDAB Cc1cccc2nc(CNC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)cn12 78962503 MSAUMGODDALHGS-ZDUSSCGKSA-N 343.431 1.841 0 40 EDAB Cc1cccc(S(=O)(=O)NCC2CCN(c3cnccn3)CC2)c1 70922922 QRXCZODZARSTRS-UHFFFAOYSA-N 346.456 1.980 0 40 EDAB O=S(=O)(CCc1cccs1)c1nnc(N2CCOCC2)s1 77536910 IHOBYQVIHLVJKO-UHFFFAOYSA-N 345.471 1.453 0 40 EDAB CCN(CC(=O)N1CCOCC1)CC1CCN(c2ccccn2)CC1 76108764 GWZQODQPUGUPJT-UHFFFAOYSA-N 346.475 1.479 0 40 EDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)Nc1cccc(C(N)=O)c1)O2 40779117 RITNGMUBSCGMPZ-GOSISDBHSA-N 339.351 1.822 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(OCc2nnc(N)s2)cc1 222644620 SJSYCVFMEJKUJQ-VIFPVBQESA-N 342.446 1.776 0 40 EDAB CN(C)C(=O)CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1 226749856 DOQQLTRHLOFSBC-ZDUSSCGKSA-N 337.807 1.035 0 40 EDAB Cc1n[nH]c(C)c1C(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 225506377 HLOWJNDAVSYLRX-CYBMUJFWSA-N 344.419 1.566 0 40 EDAB O=C(NC1CCCC1)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223353470 MMGPUABLGMPHOD-CQSZACIVSA-N 330.384 1.965 0 40 EDAB COc1nccnc1O[C@H]1CCCN(C(=O)Cc2cccnc2)C1 225495650 PBWFJJZMPBKBQG-AWEZNQCLSA-N 328.372 1.493 0 40 EDAB C[C@H](NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C)C(=O)NCCF 225693873 MVBWFCBYXUZXER-XQQFMLRXSA-N 331.432 1.601 0 40 EDAB COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2ccccc2)C1 190368536 KSVWZIMHZAWLPL-MRXNPFEDSA-N 326.462 1.559 0 40 EDAB COc1cccc(CNC(=O)c2nnn(-c3ccc(F)cc3)n2)c1 75163580 KAOQBPHUUDFIES-UHFFFAOYSA-N 327.319 1.740 0 40 EDAB C[C@H](CNC(=O)NC1CCN(c2nccs2)CC1)Cn1cccn1 225573146 IQJAYZPVHRLVHL-CYBMUJFWSA-N 348.476 1.944 0 40 EDAB COCCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225702100 VOZYZMRLYPLMSR-UHFFFAOYSA-N 344.458 1.959 0 40 EDAB Cc1nn(C(F)F)c(C)c1CC(=O)NCCn1c(C)n[nH]c1=S 96437418 INPUAIOVPBYBHE-UHFFFAOYSA-N 344.391 1.816 0 40 EDAB O=C([C@H]1C[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)O1)N1CCCC1 96183624 VHPRHTWYAXALPE-RLFYNMQTSA-N 344.411 1.770 0 40 EDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cnn(CC(C)C)c3)C2)no1 96192185 MOYPDPURJARUJD-LBPRGKRZSA-N 331.376 1.827 0 40 EDAB CC(=O)N1C[C@@H]2Oc3cc(-c4cnn(C)c4)ccc3C(=O)N(C)[C@@H]2C1 514288915 DDNLGIURZJKWLO-WBVHZDCISA-N 340.383 1.151 0 40 EDAB biogenic,in-vitro CCn1ncc2c1[C@@H](COCC1CC1)CN(S(=O)(=O)N(C)C)C2 96044730 YILBJJMAHPFGDC-CQSZACIVSA-N 342.465 1.035 0 40 EDAB CS(=O)(=O)N1CCCCC12CCN(C(=O)c1cccnc1)CC2 96239833 UYSJCFKIJWDAET-UHFFFAOYSA-N 337.445 1.502 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1 96041052 AJLVOPJDYAIBMZ-SZMVWBNQSA-N 341.411 1.970 0 40 EDAB O=C(c1cccnc1)N1CCN2C[C@H](OCc3ccccn3)C[C@H]2C1 96183499 JALGTKZIGVFIPC-ZWKOTPCHSA-N 338.411 1.592 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)NCc2coc(-c3ccccc3)n2)C1 96440131 SNMJHXPFDBACHJ-MRXNPFEDSA-N 343.431 1.387 0 40 EDAB Cc1nc(CN2CCN(C)C3(CCN(CC4CC4)CC3)C2=O)cs1 96050115 MGLIXERZSRVHRM-UHFFFAOYSA-N 348.516 1.970 0 40 EDAB Cc1cc(CNC(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)c(C)o1 96415529 MHLJAQKFBZEGTA-NSHDSACASA-N 333.310 1.859 0 40 EDAB CNC(=O)CCCn1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96100937 GFOYUNCRCHPEFR-UHFFFAOYSA-N 331.372 1.454 0 40 EDAB Cc1cnnn1C[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1cccnc1 96250280 VHKXRNPCTOSFLP-ARFHVFGLSA-N 327.388 1.301 0 40 EDAB CCn1nc(C)cc1C(=O)N1CCC2(CC1)C[C@@H](COC)N(C)C2 96206562 LTTJSCRCZVHSPC-HNNXBMFYSA-N 334.464 1.784 0 40 EDAB Cn1cc(CN2C[C@H](OCc3nc4ccncc4[nH]3)[C@H](F)C2)cn1 96112137 CLEFWEAHPJBJDN-DOMZBBRYSA-N 330.367 1.431 0 40 EDAB biogenic,in-vitro COCCN1CC[C@H]2OCCC[C@]2(COCC2CCOCC2)C1 96039964 WFMTUJDXUASOOA-QZTJIDSGSA-N 327.465 1.947 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2ccco2)[C@@H]1c1ccc(F)cc1 96181716 TVYJOOBISNHYTE-HOTGVXAUSA-N 332.331 1.633 0 40 EDAB COc1cccc(C(=O)N2CC[C@H]3[C@H]2CCN3Cc2cnn(C)c2)c1 96063987 YVQKERWPPVHQTC-ZWKOTPCHSA-N 340.427 1.918 0 40 EDAB CN1CCOC[C@]2(CCCN(C(=O)c3nn(C)c4ccccc34)C2)C1 96228719 RFWVTSGCPIJNGN-LJQANCHMSA-N 342.443 1.758 0 40 EDAB Cc1noc(C)c1CN1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 96225513 HWQGMAAUAPBBRD-QGZVFWFLSA-N 334.420 1.879 0 40 EDAB O=C1C[C@H](c2ccncc2)C2(CCN(C(=O)[C@H]3CCCO3)CC2)N1 96069785 JRLBUGDKWAOEPB-HUUCEWRRSA-N 329.400 1.225 0 40 EDAB CN(C(=O)CN1CCCn2nc(C(=O)O)cc2C1=O)c1ccccc1 96025131 JFJFOHUPDXVMDK-UHFFFAOYSA-N 342.355 1.090 0 40 EDAB O=C(c1ccnnc1)N1CCC2(CC1)CCN(c1ncccn1)CC2 96158465 GPXPCOBJALVAFE-UHFFFAOYSA-N 338.415 1.789 0 40 EDAB CN(CCC(=O)N1CCO[C@H](c2ccncc2)C1)Cc1cccnc1 257301921 SAOKWBUBIHQXGP-SFHVURJKSA-N 340.427 1.899 0 40 EDAB Cc1ccnc([C@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1 257340982 ZIJJEHDNOJPTSP-LBPRGKRZSA-N 335.367 1.651 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccnc(N3CCCC3)c2)n1 257265952 MAZRDICFEJUKLX-HNNXBMFYSA-N 341.415 1.927 0 40 EDAB Cc1cc(=O)c(C(=O)NCc2cccnc2N2CCCCC2)c[nH]1 584907179 YUXQWZONZUMAMF-UHFFFAOYSA-N 326.400 1.999 0 40 EDAB CC(C)c1nc(CNc2cc(N3CCN(C)C(=O)C3)ncn2)cs1 585085233 XKTNWHAKAPRRPL-UHFFFAOYSA-N 346.460 1.947 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)c3ncccc3F)CC2)c1 585100232 KUWZCYXVZMGEMF-UHFFFAOYSA-N 343.358 1.828 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)NCc1nccs1 585121339 MOIFLCHSVNSAEY-BMIGLBTASA-N 341.433 1.520 0 40 EDAB Cc1noc(C)c1C(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257281858 ORGRWBZRKUKLGI-QGZVFWFLSA-N 330.388 1.448 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)CC 252514825 DZPXMTWLOUKYEI-GZBFAFLISA-N 345.848 1.749 0 40 EDAB Cc1noc(C)c1CC(=O)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257213708 CITJFODKRHICAU-VNQPRFMTSA-N 341.415 1.973 0 40 EDAB CCOC[C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1c1cnn(C)c1 585655637 PGFQTRIKQNBIQO-ZFWWWQNUSA-N 331.420 1.598 0 40 EDAB CCOC(=O)c1nc(N2CC[C@H](C(N)=O)C2)ccc1Br 603288245 OSOWXXHUFMPVMR-QMMMGPOBSA-N 342.193 1.332 0 40 EDAB CN(CCc1ncc(Br)cn1)C(=O)N1CCSCC1 1615547369 FEHPJRKXKNWIIO-UHFFFAOYSA-N 345.266 1.882 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575405509 IRGCUFXWZOCVTP-INIZCTEOSA-N 339.399 1.278 0 40 EDAB CC(C)c1ccccc1OCCNC(=O)N1CCO[C@H](C(=O)O)C1 666527384 BYYBGIIDLOQXSK-HNNXBMFYSA-N 336.388 1.684 0 40 EDAB O=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)c1csnn1 585110657 VHSLFXCKALZNMV-LBPRGKRZSA-N 330.413 1.397 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CCN(c2cccnc2)C(=O)C1 585150500 YMAYZRXVNDJNGJ-UHFFFAOYSA-N 348.366 1.151 0 40 EDAB Cc1ncc(CN2CCO[C@](CO)(Cc3ccccc3C)C2)cn1 585277699 XCCAGUQHBWTXGT-LJQANCHMSA-N 327.428 1.899 0 40 EDAB CC(=O)N1CCC[C@]1(CO)CC(=O)N1CCC(c2ccccn2)CC1 585279587 DGMVIYAWIDZCLN-LJQANCHMSA-N 345.443 1.551 0 40 EDAB CN(CCOc1ccc(F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 48253459 PPFAMDTUIDRHSI-GFCCVEGCSA-N 330.381 1.033 0 40 EDAB CCNC(=O)NC(=O)CN(C)C1CCN(C2CCC(C)CC2)CC1 58356915 IHDKDUAWRRIMLO-UHFFFAOYSA-N 338.496 1.807 0 40 EDAB COC(=O)c1sc2nc(C)nc(N[C@@H](C)C(=O)N(C)C)c2c1C 69527746 QVEUQYNITVRGOI-QMMMGPOBSA-N 336.417 1.983 0 40 EDAB Cc1cnc(C(=O)N2CCCN(Cc3csc(C)n3)CC2)cn1 69842303 INEJYLUGCLTCJD-UHFFFAOYSA-N 331.445 1.898 0 40 EDAB C[C@@H](CNC(=O)/C=C/c1nc2ccccc2o1)CN1CCOCC1 75143398 ULPLAXIRLNXJJA-UZYOAWRESA-N 329.400 1.926 0 40 EDAB CCS(=O)(=O)N(C)C1CCN([C@H](C(=O)O)c2ccccc2)CC1 584415858 AASLWSDYHWGIIE-HNNXBMFYSA-N 340.445 1.558 0 40 EDAB COCCN(C)C[C@@H](O)CN[C@H]1CCCN(c2cccc(F)c2)C1 1615588441 PUAGYMFNWROBHX-WMZOPIPTSA-N 339.455 1.323 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccccc2)[C@H](CO)[C@@H]1CN1CCOCC1 1772595060 TXMXSWWQHWSAQE-KBAYOESNSA-N 332.444 1.478 0 40 EDAB Cc1sc2nc(SCC(=O)NCCCO)nc(N)c2c1C 5014622 ZWAMSKLXBLWKBY-UHFFFAOYSA-N 326.447 1.481 0 40 EDAB CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)[C@H]2C1 12188442 YJNRRTOMNFBKGE-DOMZBBRYSA-N 326.393 1.457 0 40 EDAB CC[C@@H](C(=O)NCCCN(C)C)N(c1ccccc1)S(C)(=O)=O 13711811 CDVXQBWYIRQHQE-HNNXBMFYSA-N 341.477 1.299 0 40 EDAB CC1(C)C(=O)NCCN1CC(=O)Nc1ccc(-n2ccnc2)cc1 19657976 SXTXBNRITCYRHF-UHFFFAOYSA-N 327.388 1.021 0 40 EDAB COC(=O)CN1C(=O)/C(=C/c2cc(C)c(OC)cc2C)NC1=S 8334008 SUURWMXADCYBNA-GHXNOFRVSA-N 334.397 1.543 0 40 EDAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)c1ccc(C)cc1 16839419 PMRFHGGDIZLBTR-UHFFFAOYSA-N 341.371 1.046 0 40 EDAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CN(C)C(=O)OC 585138757 UJNLAUHIHVJGBU-UHFFFAOYSA-N 333.344 1.981 0 40 EDAB c1cn2nc(C3CC3)cc2c(=N[C@H]2CCN(C3CCOCC3)C2)[nH]1 1889098705 VGTYQEINHXCOAG-AWEZNQCLSA-N 327.432 1.694 0 40 EDAB C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C[C@@H](C)O1 23717641 HOPWOKJLXPABIV-VXGBXAGGSA-N 349.822 1.968 0 40 EDAB O=C(NCc1cccnc1N1CCOCC1)c1cc(C2CC2)[nH]n1 32017868 DNBZBQNJCWVYER-UHFFFAOYSA-N 327.388 1.449 0 40 EDAB CCn1cc(Br)c(C(=O)NCCCN2CCOCC2)n1 27971423 FKTSMRMEECRDCP-UHFFFAOYSA-N 345.241 1.118 0 40 EDAB NC(=O)COc1c(Br)cc(Br)cc1C=O 309065862 ZIKVBTMERACIHE-UHFFFAOYSA-N 336.967 1.888 0 40 EDAB Cn1nc(N2CCN(c3nc4c(F)cccc4s3)CC2)ccc1=O 2086988553 HXGOMRWWGVSREG-UHFFFAOYSA-N 345.403 1.856 0 40 EDAB Cc1nc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cs1 2087127122 DGVPJJGWFBQOHZ-CYBMUJFWSA-N 345.415 1.910 0 40 EDAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)N1CCCC1 4377045 PXCKKVSPFGRTCP-UHFFFAOYSA-N 340.412 1.901 0 40 EDAB COCCNC(=O)c1nc2c3c4c(sc3ncn2n1)C[C@H](C)CC4 15083521 IISUVRBFBYRULC-SECBINFHSA-N 345.428 1.840 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@@H]3CC2)cn1 2055746167 UIBUUSNFKPMBCL-MSOLQXFVSA-N 346.475 1.257 0 40 EDAB CCn1nccc1C(=O)NCc1nnc2c(C(F)(F)F)cccn12 225809405 SNXIATOYFXOBGJ-UHFFFAOYSA-N 338.293 1.895 0 40 EDAB CCc1ncnc(N2CCN(Cc3ccc(OC)nc3)CC2)c1F 2298041230 MVJZGPSMONXLAT-UHFFFAOYSA-N 331.395 1.904 0 40 EDAB O=C(CNCC(F)(F)F)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 96456016 NZEUWYOCYMMZKV-LLVKDONJSA-N 349.740 1.713 0 40 EDAB Cc1ccc(C(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)n1C 30443185 FYPMIOQMVXFOOP-UHFFFAOYSA-N 349.456 1.950 0 40 EDAB CN(C)C(=O)CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 40528490 CXKMKDSFHGHMSJ-UHFFFAOYSA-N 347.820 1.504 0 40 EDAB C[C@H](NC(=O)NC1CCN(CC(N)=O)CC1)c1cc2ccccc2o1 45607990 YMSIZADJFOQHOI-LBPRGKRZSA-N 344.415 1.743 0 40 EDAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@H]2c2cccn2C)CC1 59320045 XYMOFYSAMATPSF-INIZCTEOSA-N 347.463 1.082 0 40 EDAB Cc1noc(N)c1C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1 16327054 CXUXTZOKWAFKIH-AWEZNQCLSA-N 345.355 1.322 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCC(Nc2cccnn2)CC1)C1CCCC1 69655370 VQPUZCXRPNWMGY-QGZVFWFLSA-N 345.447 1.574 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29460161 CFALMHXHCRBWIC-LSDHHAIUSA-N 348.399 1.878 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCCO2)N(C[C@H]1CCOC1)C1CC1 32469093 XANVCPDWAFZQRR-GFCCVEGCSA-N 339.413 1.647 0 40 EDAB O=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2)nc1CO 21148983 YEEPERQPGDTISG-UHFFFAOYSA-N 326.331 1.829 0 40 EDAB O=C(CCc1nc(-c2ccsc2)no1)N[C@H]1CCS(=O)(=O)C1 32784474 SYZYUUMKYAFRPS-JTQLQIEISA-N 341.414 1.034 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 32795175 LDEHGMLOXCBGPI-ZDUSSCGKSA-N 349.818 1.384 0 40 EDAB COC(=O)c1cccc(NS(=O)(=O)c2c[nH]c3ncccc23)c1O 69615457 OWXJVRBJJCZFEA-UHFFFAOYSA-N 347.352 1.856 0 40 EDAB Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1C 58457609 IGVGMGGQCXZDMC-CQSZACIVSA-N 343.470 1.644 0 40 EDAB CNS(=O)(=O)c1cccc2c(NC(=O)CCC(=O)O)cccc12 497236 UDIHAWKBYFRXBH-UHFFFAOYSA-N 336.369 1.551 0 40 EDAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc(F)cc(F)c2)C1 57319569 LVHWKOZGYIAOMO-RYUDHWBXSA-N 340.370 1.968 0 40 EDAB Cc1cccc2c(=O)n(CCCC(=O)NC[C@@H]3CCCO3)cnc12 22006141 OOZYJRYRIMUDKI-AWEZNQCLSA-N 329.400 1.780 0 40 EDAB O=C(NCc1ccoc1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 53041489 OURYNAGWZAJAPH-UHFFFAOYSA-N 346.364 1.517 0 40 EDAB CC1CCN(Cc2csc(NC(=O)C3=NN(C)C(=O)CC3)n2)CC1 22292064 LESXGHWOWVPTST-UHFFFAOYSA-N 349.460 1.922 0 40 EDAB O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc2ccccc12 110671759 MUVDORRQQRLPQP-JKSUJKDBSA-N 346.452 1.981 0 40 EDAB Cc1ccoc1C(=O)N1CCC2(CC1)CC(NS(C)(=O)=O)C2 108533139 KCAFGPOHBBZBIN-UHFFFAOYSA-N 326.418 1.522 0 40 EDAB COCCN1CC2(CCN(C(=O)c3csc(C)n3)CC2)CC1=O 108531471 OJLNXANUKNOPFD-UHFFFAOYSA-N 337.445 1.553 0 40 EDAB CCOC(=O)N[C@H](n1ccc(=O)[nH]c1=O)C(Cl)(Cl)Cl 3102005 CAXFSUTVBDAIGX-ZCFIWIBFSA-N 330.555 1.152 0 40 EDAB biogenic O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 23385650 IMUYXYAAMRESPP-UHFFFAOYSA-N 340.382 1.363 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 42535777 HCWYCOWTHNAVJS-KGLIPLIRSA-N 330.388 1.533 0 40 EDAB CCNC(=O)Cc1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 23236869 RGXJLLPSQWODJK-UHFFFAOYSA-N 339.442 1.969 0 40 EDAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CCNC(=O)CC2)c1 105130633 YILKJQBIJOPAQZ-ZDUSSCGKSA-N 346.431 1.246 0 40 EDAB Cc1nc(CN2CCC[C@@H](NC[C@@H](O)c3ccc(F)cc3)C2)no1 106779791 HYYCMUAMAIQPPP-HZPDHXFCSA-N 334.395 1.805 0 40 EDAB COCCN1CC[C@H]2OCCC[C@@]2(COCC(=O)N2CCCC2)C1 107712157 WCLWCGWEWIKNPW-AEFFLSMTSA-N 340.464 1.143 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)[nH]n1 108533856 PRPQYVNIRFUYEH-IRXDYDNUSA-N 341.415 1.229 0 40 EDAB C[C@H]1COCCN1S(=O)(=O)N[C@H](C)Cc1ccc(Cl)cc1 108087994 DGFAFJPTNPGBII-NEPJUHHUSA-N 332.853 1.826 0 40 EDAB COc1ccc(CCNC(=O)CN2CCc3cnc(C)nc3C2)cc1 69436370 URUDFZUVDCLSEB-UHFFFAOYSA-N 340.427 1.511 0 40 EDAB CN1[C@H](c2c(O)n(C)c(=O)n(C)c2=O)c2ccccc2CC1(C)C 20113113 XLOYQRFIVDDJAX-AWEZNQCLSA-N 329.400 1.146 0 40 EDAB biogenic O=C(Cc1ccccc1F)N1CCN(c2ncnc3[nH]cnc23)CC1 58190826 AONSFQWNQKGVML-UHFFFAOYSA-N 340.362 1.383 0 40 EDAB Cc1ccc([C@H](C)NC(=O)CNC2=NS(=O)(=O)c3ccccc32)o1 44868592 VOMDZZQOIVWJOW-NSHDSACASA-N 347.396 1.504 0 40 EDAB CCNC(=O)C1(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCCCC1 58290615 IRBLURYSNGEXPN-GFCCVEGCSA-N 341.452 1.855 0 40 EDAB CCNC(=O)[C@H]1CCCN(C(=O)CNC(=O)/C=C/c2ccccc2)C1 58282660 NMWRXSTZPCHAMM-OFAQMXQXSA-N 343.427 1.191 0 40 EDAB CNc1snc(C)c1C(=O)NC1CCN(c2ncccn2)CC1 44943055 OSGIWYWPQHQRDS-UHFFFAOYSA-N 332.433 1.682 0 40 EDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N[C@@H]1CCCCNC1=O 44966474 PDIDHKNFFSLZGL-KGLIPLIRSA-N 334.420 1.384 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)c2c(O)cccc2Cl)C1 58418053 BFSQVDPLAFNFSI-SECBINFHSA-N 332.809 1.199 0 40 EDAB O=C(COC(=O)c1ccoc1)NCCc1ccc2c(c1)OCCO2 10697215 DLXYSRAYYAJNCO-UHFFFAOYSA-N 331.324 1.567 0 40 EDAB COC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 28277201 DOMVNSOSQITBQB-RYUDHWBXSA-N 336.388 1.208 0 40 EDAB C[C@H](OC(=O)Cn1c(=O)oc2ccccc21)C(=O)N1CCCCCC1 48235032 DLQFKIXBOLBBTA-ZDUSSCGKSA-N 346.383 1.929 0 40 EDAB Cc1nccc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)n1 48362286 FHCYKIJZGKVCEO-UHFFFAOYSA-N 339.443 1.333 0 40 EDAB O=C(Cc1cccc(O)c1)NC[C@H]1CN(Cc2ccccc2)CCO1 68975127 HFRHZFHEERVFHL-IBGZPJMESA-N 340.423 1.952 0 40 EDAB C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1sccc1C(N)=O 12811641 FHGYCCHMRDWWND-ZCFIWIBFSA-N 338.418 1.288 0 40 EDAB Cc1ccc(CSCCNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 13004955 WJGABYXPSOBDKN-AWEZNQCLSA-N 327.471 1.779 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NCc1ccccc1 69738758 FAEWUXIIZMLUJG-ZWKOTPCHSA-N 329.444 1.778 0 40 EDAB O=C(CCn1cccn1)N[C@@H](CN1CCCC1=O)c1ccccc1 48957102 CSLPRORSARNHDI-INIZCTEOSA-N 326.400 1.753 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@H]2Cn2nc(C)cc2C)n(C)n1 70003711 ZXIBLPPJQMGHHT-HNNXBMFYSA-N 330.436 1.645 0 40 EDAB CC1=CC(C)(C)N(S(C)(=O)=O)c2ccc(OS(C)(=O)=O)cc21 3902005 MYPISHWJTGRUTI-UHFFFAOYSA-N 345.442 1.987 0 40 EDAB Cc1ccc(CN(C(=O)CCn2cc[nH]c(=O)c2=O)C2CC2)cc1 69351584 XMSJVGYWAJOGQB-UHFFFAOYSA-N 327.384 1.426 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NCc3cc(C)on3)CC2=O)cc1 69738998 VPLCHOWGNFVSIB-AWEZNQCLSA-N 343.383 1.657 0 40 EDAB COc1ccc(CNC(=O)CCNC(=O)c2ccco2)cc1OC 8395161 YKBYHSRXYGWHNJ-UHFFFAOYSA-N 332.356 1.733 0 40 EDAB C[C@H]1CCCN(C[C@H](C)NC(=O)c2cccc(-n3cnnn3)c2)C1 64311914 SIONNRZICYQZQH-KBPBESRZSA-N 328.420 1.513 0 40 EDAB NC(=O)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 64390418 UCRVSDZLGOPAJL-NWDGAFQWSA-N 325.206 1.934 0 40 EDAB Cc1cc(S(=O)(=O)NCCO)ccc1NC(=O)c1ccccc1 408601956 CNXNXDYYOUKKDI-UHFFFAOYSA-N 334.397 1.518 0 40 EDAB Cc1cnn([C@@H](C)[C@H](C)NCc2cnc(N3CCOCC3)nc2)c1 69463885 VJVWPNSVBZKZRN-GJZGRUSLSA-N 330.436 1.557 0 40 EDAB O=C(Nc1ccccn1)C1CCN(S(=O)(=O)N2CCCC2)CC1 69421133 SYCRWDSTPYDHBG-UHFFFAOYSA-N 338.433 1.073 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)c2cnc3c(cnn3C3CCCC3)c2)C1 69453814 KKGFDQXBNOHASH-GFCCVEGCSA-N 341.415 1.884 0 40 EDAB O=S(=O)(C[C@H]1CSc2ncnc3ncn1c23)c1ccccc1 6309665 SSFCJTSZBOLQSD-SNVBAGLBSA-N 332.410 1.947 0 40 EDAB CN1CCN(C(=O)NCCCn2cncn2)[C@@H](c2ccccc2)C1 65406152 QLWZPPMFVJCNTJ-MRXNPFEDSA-N 328.420 1.367 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 14128712 DOFNSMYBSBXXBH-ZIAGYGMSSA-N 342.351 1.363 0 40 EDAB Cc1noc([C@H]2CCCN(Cc3nc4ccccc4c(=O)[nH]3)C2)n1 69518604 IVHOSPMDMZJPSS-LBPRGKRZSA-N 325.372 1.994 0 40 EDAB CCCNC(=O)Nc1cccc(OCC(=O)NC2CCOCC2)c1 69847297 NOAHLFZYCVVLNM-UHFFFAOYSA-N 335.404 1.892 0 40 EDAB O=C(Nc1cccc(O)c1)C(=O)[C@H]1C(=O)Nc2ccccc2[S@@]1=O 4671320 HLDPLTYQWPNUJU-LFPIHBKWSA-N 344.348 1.028 0 40 EDAB Cc1c(O[C@@H](C)C(=O)NCCCO)ccc2c3c(c(=O)oc12)CCC3 6658778 VEXJKZWDCPZPRQ-LBPRGKRZSA-N 345.395 1.856 0 40 EDAB O=C(CCn1ccc(C(=O)Nc2ccncc2)n1)Nc1ccncc1 20617264 VAHFHZIRHUHWQS-UHFFFAOYSA-N 336.355 1.954 0 40 EDAB C[C@H](C(=O)N1CCCCCC1)N(C)CC1CCN(CCO)CC1 69947419 ARIIPQHYQNZBDY-MRXNPFEDSA-N 325.497 1.414 0 40 EDAB C[C@H](Nc1cccc(NC(=O)CO)c1)C(=O)NC(=O)NC(C)(C)C 66582415 LIYYYSRARZYPPJ-JTQLQIEISA-N 336.392 1.042 0 40 EDAB COC(=O)c1ccoc1CN1CCC[C@@H]1C(=O)N1CCSCC1 67117985 GZKCXTFDCJJLHP-CYBMUJFWSA-N 338.429 1.606 0 40 EDAB O=C(Cc1cn2ccsc2n1)NN1C(=O)NC2(CCCCC2)C1=O 8706406 NXYVRGBHEKYTIE-UHFFFAOYSA-N 347.400 1.224 0 40 EDAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 7137193 HJYGDYYINSGDGK-CQSZACIVSA-N 339.347 1.925 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)COc2cccc(F)c2)c2ccccc2O1 15617033 LEJUAMUKRQNRQZ-INIZCTEOSA-N 344.342 1.745 0 40 EDAB CCCn1nnnc1Cn1cnc2ccc(Br)cc2c1=O 7328201 AOCYEHYODXICPD-UHFFFAOYSA-N 349.192 1.604 0 40 EDAB CCNC(=O)N1CC[C@@H](NC(=O)NCCc2ccc(C)cc2C)C1 89977439 PQGYHBREVSVDQM-MRXNPFEDSA-N 332.448 1.949 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)NCCS(=O)(=O)NCC1CCC1 68496201 IHPJZBCGXKBFBO-UHFFFAOYSA-N 349.456 1.546 0 40 EDAB COc1ccc([C@@H](NC(=O)CN2CCCS2(=O)=O)C2CC2)cc1 83937861 LIYAPFZYJHFBIR-INIZCTEOSA-N 338.429 1.298 0 40 EDAB CC(C)OCCCNC(=O)C1CCN(c2ncnc3[nH]cnc23)CC1 9059755 CAJCOPRKRXAPNP-UHFFFAOYSA-N 346.435 1.501 0 40 EDAB Cc1nnc2n1CCN(C(=O)COc1cccc3c1OC(C)(C)C3)C2 71185889 KHULERDFRDBAOK-UHFFFAOYSA-N 342.399 1.721 0 40 EDAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)OCCO3)no1 9479624 QNDFIGPAQRMPNT-JTQLQIEISA-N 332.312 1.938 0 40 EDAB O=C(c1ccc2[nH]nnc2c1)N1CCCN(Cc2cscn2)CC1 71793218 PPLQEHUHJAUEEX-UHFFFAOYSA-N 342.428 1.763 0 40 EDAB CC[C@H](NC(=O)CN1CCS(=O)(=O)CC1)c1cc(F)ccc1F 96419009 NSDMMOGZPROALR-AWEZNQCLSA-N 346.399 1.263 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)CCCc1ccccn1)C2 71871669 JQWPINCNVDGVEH-UHFFFAOYSA-N 325.416 1.845 0 40 EDAB Cc1nnc2n1CCN(c1ncnc3c1nnn3-c1ccccc1)C2 71859576 PKQWFOBWXQICQC-UHFFFAOYSA-N 333.359 1.131 0 40 EDAB CN(CCn1cccn1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 71870848 JDUSKAUYCJHQGA-HNNXBMFYSA-N 330.436 1.740 0 40 EDAB COc1ccc(F)cc1CSCC(=O)N1CCN(C(C)=O)CC1 71862861 OMQKHTYJCYVTPX-UHFFFAOYSA-N 340.420 1.758 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc[nH]2)C1=O 71818714 GKBOHSWSLPGFCP-SUMWQHHRSA-N 330.388 1.399 0 40 EDAB O=C(NC1CCC(C(=O)N2CCSCC2)CC1)c1ccccn1 71854182 LMGDSHOJYCBKSV-UHFFFAOYSA-N 333.457 1.946 0 40 EDAB CCc1ccc(-c2cc(NC(=O)C3CC(=O)NC(=O)C3)on2)cc1 71888481 GTWFKUGGUQTZDX-UHFFFAOYSA-N 327.340 1.895 0 40 EDAB CCc1n[nH]c([C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)n1 83830163 BRTFFNXMIWPGGB-CYBMUJFWSA-N 340.387 1.177 0 40 EDAB CON(C)C[C@H](O)Cn1cc(Nc2ncnc3cccc(F)c23)cn1 71915181 JCVYRKKDVODELJ-LBPRGKRZSA-N 346.366 1.563 0 40 EDAB CCOC(=O)C1(NCC(=O)NC(=O)NC(C)(C)C)CCCCC1 71912036 WJZGLHHDJULACT-UHFFFAOYSA-N 327.425 1.466 0 40 EDAB Cn1ncc(Sc2nc3ncccn3n2)c(Br)c1=O 71903090 HNSRUPXUMSICRU-UHFFFAOYSA-N 339.178 1.132 0 40 EDAB C[C@H](O)CCN(C)S(=O)(=O)c1ccc(Br)cc1F 97163096 METWHOSKLYMHAE-QMMMGPOBSA-N 340.214 1.980 0 40 EDAB Cc1noc(-c2ccccc2)c1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 97108243 OVFYEAQOYKPVHI-LSDHHAIUSA-N 327.384 1.805 0 40 EDAB Cn1cc(NC(=O)NCc2ccccc2CN2CCC[C@H]2CO)cn1 97114757 WWLAATFKZZJNMH-KRWDZBQOSA-N 343.431 1.699 0 40 EDAB CCCc1nc(CN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)cs1 72300798 RQVOACRPVQWEJF-MEDUHNTESA-N 336.461 1.906 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@H]1c2ccccc2C[C@@H]1O 79158414 CWPYVERXTQICDB-XIRDDKMYSA-N 326.400 1.755 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cnc(Cc2ccccc2)s1 84544505 USIMYRVZDGFSFW-LBPRGKRZSA-N 336.438 1.651 0 40 EDAB C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1 95389635 WAQSOSWMHPRBAJ-XYPHTWIQSA-N 334.439 1.617 0 40 EDAB CC[C@@H](C)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 95395511 IQZNHKWTFYAZAS-GFCCVEGCSA-N 340.449 1.148 0 40 EDAB C[S@@](=O)CCNC(=O)[C@H]1COc2ccc(Br)cc21 95442835 SSOQZZWFKDJROA-YPMLDQLKSA-N 332.219 1.420 0 40 EDAB O=c1cc(CN2CCN(c3ccncc3Cl)CC2)[nH]c2ccnn12 95980412 MMOTVHSKFMUVJU-UHFFFAOYSA-N 344.806 1.393 0 40 EDAB CCOC(=O)[C@](C)(O)CN1CCCN(CC2CCCCC2)CC1 95943814 FROXHOXLECGATJ-GOSISDBHSA-N 326.481 1.889 0 40 EDAB Cc1sc(-c2ccco2)nc1C(=O)OCC(=O)N1CCOCC1 74252597 LSZVFHDMJKLSIP-UHFFFAOYSA-N 336.369 1.727 0 40 EDAB C[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1=O)N1CCc2ccccc2C1 89448844 OJFPKDYLSKNJIF-GUYCJALGSA-N 327.428 1.313 0 40 EDAB Cc1c(C(=O)N2CC(O)C2)sc2nc3n(c(=O)c12)CCCCC3 89567536 LVBRBBMGFJDHCL-UHFFFAOYSA-N 333.413 1.310 0 40 EDAB Cc1c(S(=O)(=O)N(C)[C@@H](C)CO)cnn1-c1ccc(F)cc1 89544915 GMQFPTDASIQIGN-JTQLQIEISA-N 327.381 1.321 0 40 EDAB C[C@H](N1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1)C(F)(F)F 89598437 NPJZKCRRTKPJPW-GXTWGEPZSA-N 348.413 1.749 0 40 EDAB CCOc1ccc(CCC(=O)N2CCO[C@H](CNC(C)=O)C2)cc1 75140597 DQMXMLPANDFNAB-QGZVFWFLSA-N 334.416 1.381 0 40 EDAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC(C)(C)C 409392278 QWTIBSQQPMNSER-UHFFFAOYSA-N 342.461 1.975 0 40 EDAB Cc1cc(C)n(Cc2cccc(C(=O)NCCN3CCOCC3)c2)n1 27970815 DUVKDFBYYWMMNT-UHFFFAOYSA-N 342.443 1.610 0 40 EDAB O=C(N1CCCC1)N1CC2(C[C@H](CCOc3cnccn3)CCO2)C1 306135961 PFEMCNZASNKHTM-OAHLLOKOSA-N 346.431 1.942 0 40 EDAB CCOC1CCN(CC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)CC1 60485342 LUYVEYCMFHIFAM-UHFFFAOYSA-N 348.403 1.572 0 40 EDAB CC(C)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)N1CCOCC1 32934888 NLZTYADCWNMVQL-OAHLLOKOSA-N 347.415 1.104 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccc2c(c1)OCCO2 61396678 GTJHDGRQCOREKP-UHFFFAOYSA-N 341.323 1.526 0 40 EDAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 33327155 DOKXJIRIUODSCY-UHFFFAOYSA-N 337.401 1.604 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)N3CCO[C@@H](C)C3)CC2=O)cc1 78979278 LXQNCWHWWTYLPJ-ZFWWWQNUSA-N 332.400 1.291 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NS(=O)(=O)c2cnccn2)o1 152454505 OWIYMFMMCOOHBI-PEWKINPCSA-N 333.369 1.711 0 40 EDAB CCN(CCNC(=O)NC[C@H]1CN(C)CCN1C)c1ccccc1C 78925037 AMCRSDNHKCDUDA-KRWDZBQOSA-N 347.507 1.366 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O 31398242 XBGRTDJTKHQDRH-UKRRQHHQSA-N 326.400 1.979 0 40 EDAB O=C(NCc1ccco1)C1CN(C(=O)COc2ccccc2F)C1 70814399 LIYIVGIVQSKBLO-UHFFFAOYSA-N 332.331 1.572 0 40 EDAB O=S(=O)(Cc1cccc(Cl)c1)N1CCC[C@@H]1Cn1nccn1 670854182 PYCFTRZDOVRQJG-CQSZACIVSA-N 340.836 1.926 0 40 EDAB CCN(Cc1ccccc1I)C(=O)[C@H](C)N 79420909 ZOQPZSICBPMYBA-VIFPVBQESA-N 332.185 1.987 0 40 EDAB Cc1n[nH]c(-c2ccc(C(=O)NC[C@H](C)N3CCOC[C@@H]3C)cc2)n1 74369371 QGTHMQDGGSWMHI-STQMWFEESA-N 343.431 1.619 0 40 EDAB COc1ccccc1OCc1cn(CC(=O)NC2CCCC2)nn1 227160892 ZGSHOWGISAGADA-UHFFFAOYSA-N 330.388 1.925 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1Cn2ncnc2NC1=O 40386592 YGZOPEBZRQPKEK-MRVPVSSYSA-N 335.751 1.537 0 40 EDAB Nc1ccc(S(=O)(=O)N2CCOCC2)cc1N1CCCCC1 41124541 JKKVVWZRTPYYOD-UHFFFAOYSA-N 325.434 1.280 0 40 EDAB Cc1nc(C)c(S(=O)(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)s1 572006860 ZGGNOZGMPWJOBR-SNVBAGLBSA-N 330.431 1.635 0 40 EDAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)c1ccccc1Cl 225805296 YVCZPEVTYOVIPJ-UHFFFAOYSA-N 349.799 1.835 0 40 EDAB CN1CCN(Cc2cnc3n2CCN(Cc2cccnc2)C3)CC1 96061801 BXXYLXIHNBBSTH-UHFFFAOYSA-N 326.448 1.041 0 40 EDAB CC(C)(C)C(=O)NCCC(=O)NC[C@@]1(O)CCCc2ccccc21 96427021 AMKWWZOXLYCCNX-IBGZPJMESA-N 332.444 1.879 0 40 EDAB O=C(O)[C@@H]1C[C@H](N2CCCC2)CCN1C(=O)Cc1cccc(F)c1 96069024 ZZVXJKSJDBYVRC-CVEARBPZSA-N 334.391 1.908 0 40 EDAB CO[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(CN)cc2)n1 582418542 DMIICMGSOBRWBN-NSHDSACASA-N 333.392 1.577 0 40 EDAB O=C(c1cccs1)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 96202339 KSCJTMXMOCDLCQ-QGZVFWFLSA-N 344.440 1.907 0 40 EDAB CN(C)C(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 96239084 MJIHOWDVCJLYQM-GOSISDBHSA-N 345.399 1.568 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@@H](CC(C)C)C(=O)O 583650585 MRGRORMNOFDBMM-ZBFHGGJFSA-N 332.400 1.827 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@@H]2[C@@H](COc3ncccn3)CC[C@H]21 96250023 FAQNIWTXADGTDE-IIAWOOMASA-N 342.399 1.514 0 40 EDAB COc1ccc(C(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)cc1C1CC1 583617669 CQLBBZNYCZQFNZ-SFHVURJKSA-N 342.399 1.815 0 40 EDAB CO[C@@H]1CN[C@H](C(=O)NCCNc2ncccc2C(F)(F)F)C1 583617602 JCJDWCZJPWDYCF-ONGXEEELSA-N 332.326 1.005 0 40 EDAB COC1([C@H](C)NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CCC1 580527463 YGJZDYQAXJRHCY-DOTOQJQBSA-N 332.444 1.961 0 40 EDAB O=C1C[C@@H](c2ccccc2)C2(CCN(C(=O)N3CCOCC3)CC2)N1 96261181 FBQZGZVCZCWJLS-INIZCTEOSA-N 343.427 1.577 0 40 EDAB CO[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2ccnn2C1 247906631 XIDXGOXGQVXGQZ-HNNXBMFYSA-N 335.429 1.317 0 40 EDAB O=C(c1ccncn1)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 247895009 ZOQCAGKKRHJOFK-CQSZACIVSA-N 342.424 1.789 0 40 EDAB O=C(c1cnccn1)N1Cc2cccn2C[C@H](OCc2ccncc2)C1 247848161 HSVDFDJJWAMSKS-KRWDZBQOSA-N 349.394 1.915 0 40 EDAB O=C(NCc1ccco1)[C@H]1CN(CC2CCOCC2)Cc2cncn21 247476260 HFJNMGGNNHAOOO-QGZVFWFLSA-N 344.415 1.576 0 40 EDAB CC1=C(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)CCC1 584908821 ASUKJNMKIHLWGB-UHFFFAOYSA-N 349.456 1.483 0 40 EDAB Cn1c(Cl)cnc1CNS(=O)(=O)c1cccc2c1OCC2 585087374 ZYXONSDNQBTXSG-UHFFFAOYSA-N 327.793 1.487 0 40 EDAB C[C@H](NC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1)[C@@H]1CCOC1 585088668 YPKJUNFEILMIIJ-ILZDJORESA-N 346.471 1.945 0 40 EDAB O=C(NCc1nccs1)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 585122327 XAJWZWHRYBWPIH-WCQYABFASA-N 346.330 1.570 0 40 EDAB Cc1cc(C(=O)O)cc(S(=O)(=O)NCC2(C)OCCO2)c1Cl 585122269 VETLFZRIULLTKL-UHFFFAOYSA-N 349.792 1.388 0 40 EDAB CN(C)C(=O)COc1cccc(NC(=O)NC2(CC(N)=O)CCC2)c1 585136185 VBVUAFJIIRNZRW-UHFFFAOYSA-N 348.403 1.073 0 40 EDAB O=S(=O)(c1ncc[nH]1)N1CCC[C@H](Cn2cnc3ccccc32)C1 585139387 SGGKBCRPUPHZRZ-CYBMUJFWSA-N 345.428 1.860 0 40 EDAB CNc1cc(C[C@@H]2COCCN(C(=O)Cc3ccccc3)C2)ncn1 257264540 LUXKEUUZNNWTDS-INIZCTEOSA-N 340.427 1.779 0 40 EDAB Cc1nccn1CC(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 257274457 NLDFKNXNZVJYRG-QGZVFWFLSA-N 329.404 1.714 0 40 EDAB CCOc1ccc2nnc(CNC(=O)c3cccc(N(C)C)c3)n2n1 252502823 UUBAQMCBGHMJMK-UHFFFAOYSA-N 340.387 1.519 0 40 EDAB O=C(/C=C/c1ccccc1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257275742 NQRQKZNSUCYCOQ-VDZMMWBESA-N 330.428 1.384 0 40 EDAB OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCNC2)n1 257278741 ODLSEVURQVJQOW-AWEZNQCLSA-N 342.447 1.400 0 40 EDAB Cc1cc(NC(=O)[C@H]2COCCN2CC(F)(F)F)ccc1C(N)=O 252484796 GHZPPQIWWXAUFC-GFCCVEGCSA-N 345.321 1.296 0 40 EDAB CCc1ccc([C@H]2CN(C(=O)COCC(=O)O)[C@@H]3CCNC[C@H]23)cc1 257254334 KCQJQMBTICOPHL-BRWVUGGUSA-N 346.427 1.254 0 40 EDAB O=C1C[C@H](c2ccccc2)N(C(=O)[C@H](C2CC2)N2CCCC2)CCN1 273438004 AIJYFAIBECGFBP-MJGOQNOKSA-N 341.455 1.951 0 40 EDAB CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@@H]2Cc3cncn3C2)cc1 606444268 OOPMBLUKDRNUJM-OAHLLOKOSA-N 340.427 1.652 0 40 EDAB Cn1cc([C@H](O)CNS(=O)(=O)c2cccnc2)c2ccccc21 96096476 GYVRGYJHLPWSPJ-MRXNPFEDSA-N 331.397 1.585 0 40 EDAB Cc1cc(N[C@@H]2C[C@H](C(=O)O)C[C@H]2O)n2nc(C(F)(F)F)nc2n1 662895035 CHGUVWDVMBIDAQ-XLPZGREQSA-N 345.281 1.088 0 40 EDAB C=CC(=O)N1CCC[C@@H](c2cnc(Nc3nnc(CC)s3)cn2)C1 585291607 DSKLCDWIYNKZSJ-LLVKDONJSA-N 344.444 2.526 0 40 EDAB O=C(NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O)c1ccnc(O)c1 585284521 JDWYHSCHIRSQIE-FRFSOERESA-N 328.368 1.736 0 40 EDAB CC(C)CC(=O)N1CCn2cc(CC(=O)N3CCCC3)nc2[C@H]1C 585097300 ICIGXHXNNDIUDM-CQSZACIVSA-N 332.448 1.997 0 40 EDAB CNc1cc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2)ccn1 585277461 UXNFEJVQQPHFIG-IRXDYDNUSA-N 325.412 2.332 0 40 EDAB O=C(NC[C@@H]1CCOC1)Nc1cccc(N2CCCS2(=O)=O)c1 57525170 ZZPGTAOTUKPAIU-LBPRGKRZSA-N 339.417 1.385 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc3nccn3c2)c1 68281730 SPBHKXZWHBHADK-UHFFFAOYSA-N 344.396 1.803 0 40 EDAB CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1nccn(C)c1=O 1548469787 ALVDLSMTENHUKJ-SECBINFHSA-N 342.325 1.133 0 40 EDAB CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1cn2ccccc2n1 69488458 NKNLZYWKKWQZAV-CYBMUJFWSA-N 332.429 1.718 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N(Cc1cccs1)C1CC1)C2 69531797 OKXLNVFVVQHDQX-UHFFFAOYSA-N 331.445 1.655 0 40 EDAB CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@]1(C)CC1(Cl)Cl 72290107 XYTYUCSPMYDWNA-LDYMZIIASA-N 325.261 1.950 0 40 EDAB O=C(CCc1ccc(Br)cc1)NCCc1n[nH]c(=O)[nH]1 79014335 OWYOZMKZZXWSCW-UHFFFAOYSA-N 339.193 1.152 0 40 EDAB CC(=O)c1ccc(N2CCN(CC(=O)N3CCO[C@H](C)C3)CC2)cc1 95946917 HBQUXLHHHUXALR-OAHLLOKOSA-N 345.443 1.259 0 40 EDAB NC(=O)N1CCC(NC(=O)c2sccc2Br)CC1 95958594 XDLGSWZTPDJIHR-UHFFFAOYSA-N 332.223 1.784 0 40 EDAB Cc1cc(NCCNc2ncnc3c2nnn3CC2CC2)n(C)n1 1614999340 RGDVHOLSUUQEHL-UHFFFAOYSA-N 327.396 1.197 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)c2cccnc2N)CCO1 1615144011 YNACXUHPCRGLBR-LJQANCHMSA-N 341.411 1.418 0 40 EDAB CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[C@@]2(N)C1 1615588492 BAHBXRKNYSKEDV-MAUKXSAKSA-N 332.448 1.260 0 40 EDAB COCCn1ncc2c1[C@@H](NC(=O)c1c(Cl)cnn1C)CCC2 1615557519 PCUMDUIKEBGECU-LBPRGKRZSA-N 337.811 1.724 0 40 EDAB O=C1O[C@H](C(=O)NC[C@H]2COc3ccccc3O2)Cc2ccccc21 12890642 LPPQHSVJEPBFHA-GUYCJALGSA-N 339.347 1.724 0 40 EDAB CN1C[C@@H](C(=O)N2CCC(c3cc4ncccc4cn3)CC2)CC1=O 19587185 OMWGWBBDCLAJOW-HNNXBMFYSA-N 338.411 1.814 0 40 EDAB CCc1c(C(=O)N(C)C[C@@H]2COC[C@@H](O)[C@H]2O)[nH]c2ccc(C)cc12 643551076 HSNKUTXPHWDGPN-NJAPINKUSA-N 346.427 1.479 0 40 EDAB CC(=O)N1CCC(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)CC1 252570781 XDXIJGLDWGDPMM-WKILWMFISA-N 346.431 1.541 0 40 EDAB COc1ccccc1N1CCN(c2cc(-n3cncn3)ncn2)CC1 1888906296 SPPZPTVGNGVBAW-UHFFFAOYSA-N 337.387 1.393 0 40 EDAB Cc1cncc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)n1 1889078545 XKGCTPKMEUNQDA-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB Cc1nc(C)c(CCC(=O)N(C)Cc2ccc3c(c2)OCO3)c(=O)[nH]1 23641175 AIIQEGGQFHHFDF-UHFFFAOYSA-N 343.383 1.707 0 40 EDAB Cc1cc(=O)n(CC(=O)NCc2ccnc(-c3cccnc3)c2)cn1 238861676 KUSHDWIXZWVGEJ-UHFFFAOYSA-N 335.367 1.325 0 40 EDAB O=C(CN1CCOCC1)N1CCC[C@@](O)(COc2ccccc2)CC1 2037909025 NJVSTHDSNBPWKM-IBGZPJMESA-N 348.443 1.141 0 40 EDAB COCCN1CC[C@]2(CCCN(C(=O)CC3(O)CCC3)CC2)C1=O 1614947778 UCFIPSYDLUMTGP-QGZVFWFLSA-N 338.448 1.169 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(Cc5nnc(C)o5)C[C@H]4C3)n1)CCC2 2086962019 NCCJIWCYYZYSGD-KBPBESRZSA-N 340.431 1.533 0 40 EDAB O=C(Cn1ccccc1=O)N1CCn2c(-c3cccs3)cnc2C1 1565556227 QFSQWKODDYARPH-UHFFFAOYSA-N 340.408 1.816 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)CS[C@H](C)C1=O 2711140 JWSZFXVQDSVBGH-MRVPVSSYSA-N 342.804 1.778 0 40 EDAB COc1cccc(CNc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)c1 12226858 SAFPVLLHCUINQA-UHFFFAOYSA-N 340.383 1.561 0 40 EDAB O=C(N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1)c1cscn1 2055734508 DUMKPWYMSALHKA-SNVBAGLBSA-N 346.412 1.558 0 40 EDAB Cc1ccc(C(=O)N2CCC(C(=O)N(C)C)(n3cccn3)CC2)cc1 2055772160 CIGUECRBVRGYBE-UHFFFAOYSA-N 340.427 1.911 0 40 EDAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCN1C(=O)COC1=O 575616698 NRYIKOSZWNQPHZ-UHFFFAOYSA-N 338.363 1.991 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCc2nc3ccccn3c(=O)c2C1 225778457 XCFJECNWDCRQHI-UHFFFAOYSA-N 345.362 1.769 0 40 EDAB CCOc1nccn2c(CNC(=O)c3cnc(O)c(Cl)c3)nnc12 245053640 PEEJSWZVUJMWNC-UHFFFAOYSA-N 348.750 1.207 0 40 EDAB O=C(NCCOCCn1ccnc1)c1cncc(Br)c1 575618627 DOZQPXUSDHGAQA-UHFFFAOYSA-N 339.193 1.487 0 40 EDAB CC(C)C[C@@H](NS(=O)(=O)c1ccc2sc(O)nc2c1)C(N)=O 20468508 SBXRIKQJLDLXRK-SNVBAGLBSA-N 343.430 1.180 0 40 EDAB COc1ccc(S(=O)(=O)N2CCCN(C(C)=O)CC2)cc1F 30327937 KHKXITWGTVQVMS-UHFFFAOYSA-N 330.381 1.077 0 40 EDAB Cn1c(=O)c2c(nc(Cl)n2Cc2ccc(Cl)cc2)n(C)c1=O 128823 QXFUIEDAJJGUJX-UHFFFAOYSA-N 339.182 1.789 0 40 EDAB biogenic CCOC(=O)Nc1ccc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1 40548993 BTQCXNVATXEYAP-DGCLKSJQSA-N 333.388 1.981 0 40 EDAB COc1ccc(OC)c(CCC(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1 45749544 ZYLFSRBPIZAGHO-MRXNPFEDSA-N 346.427 1.906 0 40 EDAB CCN1CCCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1 69538429 MEXSJSGNFIQPDC-GOSISDBHSA-N 343.471 1.774 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 45838492 FAPWVYKTIPGCNS-SECBINFHSA-N 331.294 1.591 0 40 EDAB COc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)n[nH]2)cc1 51315742 BSQDHCFMEQBUOY-UHFFFAOYSA-N 328.372 1.423 0 40 EDAB CCCn1nc(C(=O)Nc2cc(NC(C)=O)ccc2OC)ccc1=O 11782022 JKAFFAGGMSDJGL-UHFFFAOYSA-N 344.371 1.873 0 40 EDAB O=C(C1CCN(C[C@@H](O)Cn2cccn2)CC1)N1CCCCCC1 51499756 QOSKNHPXBOILHM-QGZVFWFLSA-N 334.464 1.359 0 40 EDAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(C)CC1 20676424 RBVOGNVKIJTVCM-UHFFFAOYSA-N 344.411 1.817 0 40 EDAB O=C(c1nccn2ccnc12)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 91763188 GUKPDQZEPUFWBX-RISCZKNCSA-N 344.321 1.956 0 40 EDAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)[C@H]3COCCO3)c2C)no1 46312927 YDMCRZOYBLURGB-OAHLLOKOSA-N 348.355 1.532 0 40 EDAB CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN(C[C@@H]2CCCO2)C1 89893599 WWBPFUJERVUPPK-CABCVRRESA-N 336.436 1.795 0 40 EDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O 2657422 KKYCBAHILIFSBO-QGZVFWFLSA-N 327.340 1.363 0 40 EDAB CCc1ccc(C(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1 6033802 YFFRKUVECPXHIN-NSHDSACASA-N 340.383 1.440 0 40 EDAB Cc1nn(CC(=O)N(C)Cc2cnn(C)c2)c(=O)c2ccccc12 21342817 ZZPYKSODVCVCDX-UHFFFAOYSA-N 325.372 1.097 0 40 EDAB Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1NS(C)(=O)=O 10329290 DKTQTXMELDILKV-UHFFFAOYSA-N 347.396 1.718 0 40 EDAB COCc1ccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 41164776 TXYDYBUJSXTZPZ-CQSZACIVSA-N 340.445 1.234 0 40 EDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(F)c(Cl)c1 60472234 GLHURLYNQYSZNZ-UHFFFAOYSA-N 336.816 1.968 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cccn1)N1CCO[C@H]2CCCC[C@@H]21 69946899 MSNPUXFXFKMCNP-SQNIBIBYSA-N 346.475 1.908 0 40 EDAB CCOc1ccc(N2C[C@H](C(=O)NC3=NCCS3)CC2=O)cc1 479452 XZPAVXWRPHZGHH-LLVKDONJSA-N 333.413 1.657 0 40 EDAB CC(=O)N[C@@H](C(=O)NCCNc1ncnc2sccc12)C(C)C 32928034 MHNLPXAGHIPGLZ-GFCCVEGCSA-N 335.433 1.380 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCC(c3nnc4n3CCC4)CC2)on1 47258601 HJDREDSQRJMWGB-LBPRGKRZSA-N 344.419 1.727 0 40 EDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2cc(C)nn2C)cc1 47232661 CHOZDOXKUXPSED-RMKNXTFCSA-N 334.401 1.289 0 40 EDAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2F)C1=O 47359163 WTMIPIXZXVVTNE-HNNXBMFYSA-N 325.315 1.256 0 40 EDAB CCCN(Cn1nc(CCC(N)=O)n(C)c1=S)CC(F)(F)F 54470240 BZIRXGDRVDUOAZ-UHFFFAOYSA-N 339.387 1.601 0 40 EDAB O=C(c1cnccn1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 23786796 MPCFAIIVJHPOER-UHFFFAOYSA-N 340.383 1.206 0 40 EDAB Cn1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)n1 42852613 DKIDSHVCSMCWRK-UHFFFAOYSA-N 333.413 1.711 0 40 EDAB Cc1cnn(Cc2cccc(F)c2)c1NC(=O)c1cn(CCN)nn1 55088415 IVFOLVFOWYHXEC-UHFFFAOYSA-N 343.366 1.181 0 40 EDAB CC(=O)c1ccc(OC[C@H](O)Cn2c(=O)n(C)c3ccccc32)cc1 12552461 QCPMITNMGZBLDN-OAHLLOKOSA-N 340.379 1.983 0 40 EDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H]1C[C@H]1C 106574260 XVXTYVRNVHQGHZ-ADEWGFFLSA-N 331.869 1.950 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)N3CCC[C@@H](CO)C3)C2)c1 106835953 DPSXADAYLPETDV-HZPDHXFCSA-N 347.459 1.935 0 40 EDAB C[C@H](O)CN1CCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@@H]1C 106868064 SIUYCCNESLBKGT-RWMBFGLXSA-N 340.855 1.449 0 40 EDAB O=C(C1CCC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 25382213 TYWBZDFATXXJTB-MRXNPFEDSA-N 330.384 1.297 0 40 EDAB O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1ccccc1 25671924 WMQIBSCHDCUNPQ-UHFFFAOYSA-N 340.431 1.810 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@@H]1N1CCOCC1 107354584 LLWBIMIXFTWVHX-UXLLHSPISA-N 333.432 1.418 0 40 EDAB CCCC(=O)N1CCCC[C@H]1C(=O)NCCC(=O)Nc1ccncc1 75606939 QTEUPBLILYHTSD-HNNXBMFYSA-N 346.431 1.708 0 40 EDAB O=C(NC[C@@H]1CCCO1)C1CCN(Cn2ncsc2=S)CC1 26661313 NKEJZDLTVJNFMK-LBPRGKRZSA-N 342.490 1.639 0 40 EDAB O=C1CCN(CC(=O)N[C@@H](c2ccccc2)c2nccs2)CCN1 108361330 HBMTYROLFJKPBI-INIZCTEOSA-N 344.440 1.171 0 40 EDAB CCc1nsc(N2CCN(CC(=O)Nc3c(C)n[nH]c3C)CC2)n1 76062545 ILFJFLXDXZMLIT-UHFFFAOYSA-N 349.464 1.201 0 40 EDAB Cc1c(Cl)cccc1OCC(=O)NC[C@H]1CN(C)CCN1C 76017953 VMKVSEASRUZVIZ-ZDUSSCGKSA-N 325.840 1.389 0 40 EDAB CCO[C@@H]1C[C@@H](N(C)Cc2cc(=O)n(C)c(=O)n2C)C12CCCCC2 76040593 CBGVBZDKIGFOGG-HZPDHXFCSA-N 349.475 1.644 0 40 EDAB O=C(NC1CCC(O)CC1)c1cccc(S(=O)(=O)NC2CC2)c1 44512752 FNAXZEPSILXQRC-UHFFFAOYSA-N 338.429 1.161 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CN1CCCC1=O)c1cccc(F)c1 44890265 ARYNWBZIZSAQPI-MRXNPFEDSA-N 330.363 1.387 0 40 EDAB COC(=O)c1ccc(N2CCN(C(=O)Nc3cn[nH]c3)[C@@H](C)C2)cc1 58202835 VLWPEOUWZBNLSJ-LBPRGKRZSA-N 343.387 1.939 0 40 EDAB C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 58282871 QTLVCZQEIUIOCM-LLVKDONJSA-N 349.441 1.633 0 40 EDAB COC(=O)CN1CCN(c2nc3cc(C)nn3c3ccccc23)CC1 58218487 BKJBKZYLYJMTIE-UHFFFAOYSA-N 339.399 1.486 0 40 EDAB C[C@@H](C(=O)NCc1ccc(F)c(Cn2ccnc2)c1)S(C)(=O)=O 44955555 SEKSWBDWGOSKHX-NSHDSACASA-N 339.392 1.120 0 40 EDAB Cn1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1=O 44954384 ZPKXBSMPVXFSEK-MRXNPFEDSA-N 339.395 1.479 0 40 EDAB O=C(NCCn1cnc2ccccc21)c1ccnc(-n2cncn2)c1 58315986 SQXOLGTWQUXKHT-UHFFFAOYSA-N 333.355 1.442 0 40 EDAB CC(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 58393279 CJHPDHDHCFRVQL-AWEZNQCLSA-N 342.403 1.039 0 40 EDAB COc1cccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 3288220 ZMOGEBXBTOEGRB-UHFFFAOYSA-N 331.372 1.888 0 40 EDAB CCOC(=O)Nc1cc(S(=O)(=O)NCCOC)ccc1OCC 408588055 WSJFHGJANJSERN-UHFFFAOYSA-N 346.405 1.578 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1cccnc1-n1ccnc1 58413990 HEIDFPMUSWTCTA-UHFFFAOYSA-N 325.420 1.665 0 40 EDAB O=C(CCOc1ccccc1)OCn1nnc2ccccc2c1=O 3383965 MKZRNSIIRXESAV-UHFFFAOYSA-N 325.324 1.761 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)N2CCOCC2)o1 48249470 ZCLWKHIMOQLRPA-IUODEOHRSA-N 340.445 1.944 0 40 EDAB CCCN(CC(=O)N(C)C)CN1C(=O)NC2(CCCCCC2)C1=O 48354165 VUMRPKVGRSWHOY-UHFFFAOYSA-N 338.452 1.389 0 40 EDAB CC1(C)NC(=O)N(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1=O 48366238 UQLOQMICTMFOCF-SNVBAGLBSA-N 332.278 1.949 0 40 EDAB CN(C)c1ccc(CCNC(=O)N[C@H](C(N)=O)c2ccccc2)cc1 69737598 KZKDIQGCGOLVOR-KRWDZBQOSA-N 340.427 1.821 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1nc(Cc3ccccc3)no1)CC2 69779947 MGTKHGKQMFAHJG-CQSZACIVSA-N 338.415 1.919 0 40 EDAB COc1ncccc1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 69772753 XZGVYZQSNYADDN-CQSZACIVSA-N 325.368 1.621 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Oc1ccc2c(c1)OCO2 13149006 DSXSCCPYIIKCQU-RYUDHWBXSA-N 331.324 1.496 0 40 EDAB CN(C)/C(Cn1cncn1)=C1/N=C(c2c(F)cccc2F)OC1=O 4110031 LBHACMZWSRKDDI-ACCUITESSA-N 333.298 1.333 0 40 EDAB CNC(=O)COC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 69847820 CKDUSCYGEPOVOE-UHFFFAOYSA-N 347.392 1.563 0 40 EDAB CCn1c(SCC(N)=O)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409124094 GSUHVCLCGZSRBN-NSHDSACASA-N 347.444 1.675 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@H](C)c1nncn1C 65590851 NLAHLVZYBGBJKY-CHWSQXEVSA-N 345.403 1.748 0 40 EDAB Cc1nc(C)c(CCC(=O)NCCc2ccc3c(c2)OCO3)c(=O)[nH]1 14165554 NPNCGJJHMSOOTB-UHFFFAOYSA-N 343.383 1.407 0 40 EDAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)C(=O)NC[C@@H]1CCCO1 14165463 WNKIDKZFHYMZIQ-CVEARBPZSA-N 347.459 1.857 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)N1 14159166 YDBCHCGDXFIJOE-UHFFFAOYSA-N 340.383 1.301 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1ccc(-n3cccn3)nc1)C2 70014744 ZOTBEJPQSWQVNB-UHFFFAOYSA-N 349.398 1.688 0 40 EDAB CCS(=O)(=O)NCCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 65605813 QRYHVWCNRZPKGZ-IAGOWNOFSA-N 346.452 1.999 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](C)CN2CCCC2=O)c1 65612889 TWQMYNAJWNYLIJ-GXTWGEPZSA-N 332.400 1.784 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc(CC(N)=O)cs1 14369732 WHTHKHXCTAZSFL-AMIZOPFISA-N 333.369 1.338 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 66083973 SQYAUJSGYGJMKR-CQSZACIVSA-N 325.752 1.235 0 40 EDAB COCCOc1ncccc1C(=O)NCCC(=O)Nc1cccnc1 66097636 LNVOYHOVDZDVQJ-UHFFFAOYSA-N 344.371 1.260 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)COCc1nc2ccccc2s1 69351728 KJDRFZCLTXBJEQ-ZDUSSCGKSA-N 347.440 1.940 0 40 EDAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cccc(-n2cnnn2)c1 8389508 QTUMLGWBRFOZLB-UHFFFAOYSA-N 348.366 1.807 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCNC(C)=O)cc1 8328157 LQPUJAXXVMUUOX-UHFFFAOYSA-N 342.417 1.010 0 40 EDAB CC(=O)N(CCc1ccccc1)CC(=O)N1CCc2[nH]ncc2C1 90149257 HXWBJAIQFBJEPH-UHFFFAOYSA-N 326.400 1.386 0 40 EDAB Cc1ccc([C@H](CNC(=O)CN(C)c2cnccn2)N2CCCC2)o1 69537724 WHNSRIBPAUCRDU-HNNXBMFYSA-N 343.431 1.768 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)CCNC(=O)C(C)(C)C 67731706 GQXSGNSDFWYHMJ-LLVKDONJSA-N 343.493 1.355 0 40 EDAB Cc1cc(NC(=O)CSc2nnnn2-c2ccccc2C)on1 8772236 JJBHUZZLWGABDM-UHFFFAOYSA-N 330.373 1.998 0 40 EDAB Cc1c(Sc2nnnn2C)nn2c(C(F)(F)F)nnc2c1C 92581899 GNLNOLLELFQPCN-UHFFFAOYSA-N 330.299 1.435 0 40 EDAB Cc1cc2c(cc1Br)N(Cc1n[nH]c(=O)[nH]1)C[C@@H](C)O2 92619060 MRKLVYOSQFJRNZ-MRVPVSSYSA-N 339.193 1.956 0 40 EDAB Cc1cc(CN(C)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)no1 92837286 DZMSQDLVGDPWOJ-UHFFFAOYSA-N 342.359 1.531 0 40 EDAB COc1cc([C@@H]2CC(=O)N=C3NC(C)=NC(O)=C32)cc(OC)c1O 9042322 ZAOHSMWTMOBSBL-VIFPVBQESA-N 331.328 1.613 0 40 EDAB CCc1cnc(CN(C(C)=O)[C@H]2CCN(CCc3cnn(C)c3)C2)o1 78892283 YIROOSRFVNAEPO-INIZCTEOSA-N 345.447 1.636 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)[C@@H](C)c1c(C)nn(C)c1C)C2 72279580 AXQQOBGJNPAREA-NSHDSACASA-N 342.447 1.947 0 40 EDAB CN1CCO[C@@H]2CN(CCOc3ccccc3Br)C[C@@H]21 93793417 AXKFTOBIZKNZTR-DZGCQCFKSA-N 341.249 1.843 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN(C(=O)CCc2ccccc2F)C1 72275203 CLRXFIYTCOBYEW-LBPRGKRZSA-N 328.409 1.285 0 40 EDAB CC(=O)N1CC(NC(=O)Cc2ccc(OCC(F)(F)F)cc2)C1 97083195 PZKVLOBNGNBAOG-UHFFFAOYSA-N 330.306 1.517 0 40 EDAB O=C1C[C@@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CN1 97084801 FARPOHQEWLKSSL-SECBINFHSA-N 338.289 1.966 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)c2cnn(CC(C)C)c2)nc1 97081283 WUHXVUSDJQWKBP-UHFFFAOYSA-N 329.404 1.953 0 40 EDAB O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(=O)[nH]c1 71800168 STGGWJOBTTVMLI-UHFFFAOYSA-N 325.368 1.427 0 40 EDAB CN(CC(=O)N1CCC[C@@H]1c1cccs1)[C@@H]1CCS(=O)(=O)C1 71834705 ITCXJRDLOJZCKX-CHWSQXEVSA-N 342.486 1.531 0 40 EDAB COc1ccccc1OCc1ccc(C(=O)N2CCNC(=O)CC2)o1 71839504 IZZKGPBZRBRRTQ-UHFFFAOYSA-N 344.367 1.829 0 40 EDAB Nc1nc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)nc2ccccc12 97083931 XLZYZOLGSYMBIQ-DOMZBBRYSA-N 325.416 1.703 0 40 EDAB C[C@@H]1Cc2cc(S(=O)(=O)NCc3cnn(C)c3)cc(Cl)c2O1 71914577 UQNMOPFRGMIDHR-SECBINFHSA-N 341.820 1.875 0 40 EDAB CCc1ccccc1NC(=O)NCCCCN1CCN(CCO)CC1 71907972 ZOQHSPJZJIHKLO-UHFFFAOYSA-N 348.491 1.761 0 40 EDAB CC(C)(O)[C@@H]1CCCN1C(=O)NCC[S@](=O)Cc1ccccc1 97114614 VEXXODJRYIMNTI-NPMXOYFQSA-N 338.473 1.880 0 40 EDAB Cn1cc(-c2nc(CN3CCc4nn(C)c(=O)cc4C3)cs2)cn1 72302360 KHRYLZXHOPDZJJ-UHFFFAOYSA-N 342.428 1.196 0 40 EDAB O=C(CCn1nc(O)c2ccccc2c1=O)NCCc1ccccc1 78944613 XSEQCXHEROYGIY-UHFFFAOYSA-N 337.379 1.851 0 40 EDAB O=C(NCCNc1nnnn1-c1ccccc1)[C@@H]1C[C@@H]1c1ccco1 84572618 VIHCGBQUWYWKNO-UONOGXRCSA-N 338.371 1.587 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@H]1CCN(Cc2ccon2)C1 84671376 IHHMDOGHJBAHKU-AWEZNQCLSA-N 331.376 1.558 0 40 EDAB Cc1cc(NC(=O)C(=O)NCCCN(C)c2cccc(F)c2)n(C)n1 95399153 NMONWOSFVPJPIT-UHFFFAOYSA-N 347.394 1.449 0 40 EDAB C[C@@H](C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)n1cncn1 95407065 HJIRPKVLBOVNRY-JTQLQIEISA-N 331.767 1.771 0 40 EDAB CN1C(=O)C[C@@H](C(=O)Nc2nncs2)[C@H]1c1ccc2c(c1)OCO2 95477351 MNTRXEBDNMICNH-NOZJJQNGSA-N 346.368 1.425 0 40 EDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCCc1cnn(C)c1 95953046 KUAPPNRJZDLMDD-GOSISDBHSA-N 340.427 1.615 0 40 EDAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCC(=O)N1CCCC1 95944622 NTIMAABMOHTWKW-GFCCVEGCSA-N 335.452 1.929 0 40 EDAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cn(C)nc1-c1ccccc1 89246152 CSJNJCWCSNTKHI-STQMWFEESA-N 347.440 1.735 0 40 EDAB Cc1cc(C(=O)Nc2ccccc2CN2CCC[C@@H]2C(N)=O)n(C)n1 89591766 VMCVAYXWWCVBQZ-OAHLLOKOSA-N 341.415 1.431 0 40 EDAB C[C@@H](NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cnccn1 89550549 LJCHATZFGKSYDB-NVXWUHKLSA-N 340.427 1.770 0 40 EDAB Cc1nc([C@H](C)NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)no1 89718092 JGXUMBLJTZEHJO-XHDPSFHLSA-N 348.378 1.768 0 40 EDAB COC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 408618418 KGJPWEWIOANRAO-QWHCGFSZSA-N 328.434 1.301 0 40 EDAB Cc1nc(C(C)C)sc1C(=O)NCCN1CCCS1(=O)=O 61597740 XQFKZCOVFCAEMO-UHFFFAOYSA-N 331.463 1.340 0 40 EDAB CCN(CC)[C@@H](CNc1ncccc1S(N)(=O)=O)c1ccco1 79037668 OGKJZCZNNQRKHV-LBPRGKRZSA-N 338.433 1.817 0 40 EDAB CN(C)Cc1cc(CNC(=O)c2cnc(C(=O)O)cn2)ccc1F 518183717 LBABJJQQVNFGRP-UHFFFAOYSA-N 332.335 1.306 0 40 EDAB Cn1cncc1[C@@H]1C[C@H](NC(=O)c2cccc3c[nH]nc23)CCO1 548341993 NVWCBJYYUJBNFR-DOMZBBRYSA-N 325.372 1.947 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)NCCNc1ccc(C)nn1 35597969 SVJJQOCIFNHXPE-UHFFFAOYSA-N 336.417 1.492 0 40 EDAB Cc1cc(C2CCN(S(=O)(=O)N3CCOCC3)CC2)ccn1 72368855 MBBHXTXNECKNTP-UHFFFAOYSA-N 325.434 1.146 0 40 EDAB O=C(NCCCOc1ccccc1F)c1cnc2n(c1=O)CCS2 32263550 IWNCYIHETMHEPO-UHFFFAOYSA-N 349.387 1.687 0 40 EDAB Cn1cc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)nn1 558118548 VESLEGZPOICGIE-UHFFFAOYSA-N 331.342 1.350 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72367549 RMQFGDSKXKFVGW-HNNXBMFYSA-N 349.460 1.715 0 40 EDAB CCCCn1nnnc1COC(=O)c1ccc(N2CCCC2=O)cc1 32741622 FEVRFUXOVWCVOI-UHFFFAOYSA-N 343.387 1.957 0 40 EDAB O=C(NCc1cnc2n1CCCC2)N1CCOC2(CCOCC2)C1 560117338 OWIZMPRSIIMOEG-UHFFFAOYSA-N 334.420 1.310 0 40 EDAB O=C(/C=C/c1ccncc1)N1CCCN(CC(=O)N2CCCC2)CC1 79050151 IPBBPMHKZORVDY-SNAWJCMRSA-N 342.443 1.252 0 40 EDAB COc1cccc(Oc2cncc([C@@H]3CCCN(CC(N)=O)C3)n2)c1 72361841 ZWQNTMLASFXPNO-CYBMUJFWSA-N 342.399 1.942 0 40 EDAB CCOc1ncccc1C(=O)NCCn1nnc2ccccc2c1=O 225797778 HASAUDBSOSXMPK-UHFFFAOYSA-N 339.355 1.015 0 40 EDAB COc1cc(C)n(CCNC(=O)Cc2ccc(F)cc2F)c(=O)c1 238869912 MQLVSQAPSNBWSJ-UHFFFAOYSA-N 336.338 1.802 0 40 EDAB Cc1ccccc1CCC(=O)N1CC(S(=O)(=O)c2nccn2C)C1 225678432 YPGANUNRVNRLGU-UHFFFAOYSA-N 347.440 1.346 0 40 EDAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCC1 222686097 NKSSCLZHLSTCSE-HNNXBMFYSA-N 340.445 1.862 0 40 EDAB FC(F)(F)c1cc(N2CCOCC2)nc(NC(=S)NC2CC2)n1 226004448 SOEPNBHTTSCBHS-UHFFFAOYSA-N 347.366 1.781 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1 49736907 JJIKANSEBXVAFL-KRWDZBQOSA-N 339.505 1.545 0 40 EDAB Cc1nn(C)c2cnn(CC(=O)NCc3ccc4c(c3)OCO4)c12 41123476 VDHZEFMUOJLLHU-UHFFFAOYSA-N 327.344 1.123 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)o1 574153618 BCCBHNQGVQSXHB-LLVKDONJSA-N 343.382 1.802 0 40 EDAB Cc1ccc(CN2C[C@H]3[C@H](CC(=O)N4CCCO4)COC[C@H]3C2)o1 96057306 WIJHSIDZVDEQQV-INMHGKMJSA-N 334.416 1.836 0 40 EDAB CS(=O)(=O)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 96107410 YLOQBBMHVBMQIM-RISCZKNCSA-N 330.381 1.183 0 40 EDAB C[C@H](NC1CC1)C(=O)NCc1ccc(C(=O)N=c2cc[nH]cc2)cc1 576277949 ZALXTRUXNRFVLI-ZDUSSCGKSA-N 338.411 1.513 0 40 EDAB COC[C@@H]1CN(C(=O)COc2ccc(C)cc2)Cc2cn(C)nc21 96197983 KXANSQYSRBYXBU-HNNXBMFYSA-N 329.400 1.880 0 40 EDAB CCC1=N[C@@]2(CC[C@@H]3CN(c4ncccn4)C[C@@H]32)C(=O)N1CCOC 96261658 PFVUCFTXHOWCQG-QWQRMKEZSA-N 343.431 1.359 0 40 EDAB COCc1nc([C@@H]2COCCN2C(=O)c2cccc(C(=O)O)c2)no1 577111107 WLWHWJRHGXOFSG-LBPRGKRZSA-N 347.327 1.128 0 40 EDAB Cc1ccc(N[C@H]2CO[C@@]3(CCN(Cc4cnn(C)c4)C3)C2)nn1 96072774 LYEZDWOAYCKQQR-WBVHZDCISA-N 328.420 1.364 0 40 EDAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2cccs2)cn1 96184623 TZZZFCWGMPAKRE-JKSUJKDBSA-N 330.457 1.900 0 40 EDAB C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H]1CCCN(C2CCCCC2)C1 97104492 SMFJKQXSXJHYNR-SQWLQELKSA-N 330.494 1.880 0 40 EDAB Cc1cc(CN2C[C@H]3COC[C@@H](N4CCN(C)CC4)[C@H]3C2)oc1C 96185727 AESMQQDVRQGBHY-YTQUADARSA-N 333.476 1.591 0 40 EDAB CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)c3cccs3)C2)C1 96208812 OSHODFTWRKKTKA-BXUZGUMPSA-N 344.458 1.061 0 40 EDAB CCc1nsc(N2CC[C@H](Nc3ccc4nc(C)cn4n3)C2)n1 582338389 CYKSJFYMBGSUCM-NSHDSACASA-N 329.433 2.142 0 40 EDAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)C2CC2)C3)cc1 96269285 UELYKDRAUDEBRP-HNNXBMFYSA-N 327.384 1.984 0 40 EDAB biogenic,in-vitro O=C([C@@H]1CCOC1)N1CCc2ncc(CNc3ccccn3)n2CC1 96197127 BPISCZMWZPMDAS-CQSZACIVSA-N 341.415 1.311 0 40 EDAB Cc1noc(C[C@H]2C[C@H]3CN(C(=O)Cc4cccs4)C[C@H]3O2)n1 96220543 UHZMREOOCWSBIL-OUCADQQQSA-N 333.413 1.841 0 40 EDAB CC(=O)N1CCN(C(=O)Nc2ccccc2)C[C@]2(CC(=O)N(C)C2)C1 96143400 ANJXAVJCYQPJDO-SFHVURJKSA-N 344.415 1.231 0 40 EDAB Cn1cccc1C(=O)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96073893 UHDQAMSYIOSOHH-RDTXWAMCSA-N 341.415 1.691 0 40 EDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)Cc4ccccn4)C[C@H]3O2)n1 96215187 CLGHTHDXMIUOHQ-AEGPPILISA-N 328.372 1.174 0 40 EDAB COc1cc(N2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)ncn1 247885594 KVCZPYZGXNQGNQ-OAHLLOKOSA-N 349.431 1.666 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@]1(COC)C(=O)O 242498638 HKTMNCQMPQOEMH-BZPMIXESSA-N 332.805 1.958 0 40 EDAB O=C(c1cscn1)N1CC2(C1)OCC[C@H]2COc1cccnc1 247807352 CAFJSSAJMCDPQQ-LBPRGKRZSA-N 331.397 1.848 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1ccno1 257327637 XCDNUQAUGAEYQC-CQSZACIVSA-N 329.356 1.729 0 40 EDAB CCn1cc(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)c(C)n1 257242722 IDVGAGGPNZMGKY-ROUUACIJSA-N 340.427 1.828 0 40 EDAB CC(C)(Cc1ccccc1Cl)NC(=O)CC[C@@H]1NC(=O)NC1=O 584906686 OCMOERKPTDMQFI-LBPRGKRZSA-N 337.807 1.766 0 40 EDAB COC(=O)[C@@](C)(CO)NC(=O)Cc1csc(-c2ccccc2)n1 585087994 GCALPIXPLATZBX-MRXNPFEDSA-N 334.397 1.393 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)c(O)c1 257285638 PICWRDWGGOPEOG-JFIYKMOQSA-N 348.443 1.435 0 40 EDAB COC(=O)C[C@@H](NC(C)=O)C(=O)N1CCOc2ccccc2[C@H]1C 585113935 FEXDKESZMRKMSY-BXUZGUMPSA-N 334.372 1.036 0 40 EDAB Cc1nc(O)cc([C@H]2CN(Cc3cccc(OCCO)c3)CCO2)n1 257297901 RJHGTCNSNNGDFS-QGZVFWFLSA-N 345.399 1.435 0 40 EDAB COc1cccc(CN2CCN(C3CCOCC3)C[C@@H](C(N)=O)C2)c1 257291467 QHAYIMHNJWSUKZ-INIZCTEOSA-N 347.459 1.093 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)c3cccc(OC)c3)CC2)OC[C@]1(C)O 257240409 HTIJRLKHAMCOMR-WMZOPIPTSA-N 348.443 1.429 0 40 EDAB Cc1nc2ccc(C(=O)N(C)[C@@H]3CC[C@@H](n4ccnc4)[C@@H]3O)cc2[nH]1 257258152 KSOINPWBEBKTIJ-BRWVUGGUSA-N 339.399 1.904 0 40 EDAB CC(=O)N1CCN(C(=O)c2cccc(O)n2)[C@@H](c2ccccc2)C1 257311963 ULTUDILRVPGFBY-MRXNPFEDSA-N 325.368 1.833 0 40 EDAB CN(C)c1cc([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)ccn1 257256746 KMSYTYHLIRQCCI-OAHLLOKOSA-N 338.477 1.668 0 40 EDAB CNCC(=O)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 257247721 JAEATIQKEFFKGH-CYBMUJFWSA-N 327.392 1.283 0 40 EDAB COc1c(C)cc(S(=O)(=O)NC[C@@H](C(=O)O)C(C)C)cc1C 274940034 DZPUOHQTHSXBIC-CYBMUJFWSA-N 329.418 1.947 0 40 EDAB CC[C@@H](C(N)=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 601761651 STKHFHVPRLMAGJ-LSDHHAIUSA-N 325.840 1.255 0 40 EDAB COc1cc(NCCNC(=O)Cc2nncn2C(C)C)cc(OC)c1 1615587323 ZDQSVDYGRGJRAS-UHFFFAOYSA-N 347.419 1.647 0 40 EDAB O=C([C@@H]1NCCC[C@H]1c1ccccc1)N1CCN([C@@H]2CCOC2)CC1 1616030357 APQJTHFVBXVNBJ-CEXWTWQISA-N 343.471 1.455 0 40 EDAB COc1ncc(NS(=O)(=O)c2ccc(F)c(F)c2)c(OC)n1 96098729 YTIDNIYEYGRILA-UHFFFAOYSA-N 331.300 1.573 0 40 EDAB O=C(c1ccsc1)N1CCCN(c2ccc3nncn3n2)CC1 298759148 SHIFIJAHPIACLJ-UHFFFAOYSA-N 328.401 1.538 0 40 EDAB CCCc1nnc(NC(=S)N[C@]2(C)CCS(=O)(=O)C2)s1 575425398 YVHTWWWHFHRQCM-LLVKDONJSA-N 334.492 1.354 0 40 EDAB CCOC(=O)c1ccc(NS(=O)(=O)C[C@@H](OC)C2CC2)c(O)c1 577751539 JQGLOBBMMXFLSF-CQSZACIVSA-N 343.401 1.736 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)Cc4ccn(C)n4)C[C@H]3C2)cs1 585107589 JMFCDNPYZUAMLS-ZIAGYGMSSA-N 345.472 1.318 0 40 EDAB COCCN1CC2(CCN(C(=O)c3c(C)noc3C)CC2)CC1=O 585099741 JUJRKAPWZNYQGK-UHFFFAOYSA-N 335.404 1.393 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCC(c4nc(C)no4)CC3)c2n1 68672587 NVEIAQUPYVIQOK-UHFFFAOYSA-N 326.360 1.749 0 40 EDAB CN(CCOc1ccccc1F)C(=O)CN1CCc2cncnc2C1 69488883 IAZIVTTZSGKPGS-UHFFFAOYSA-N 344.390 1.511 0 40 EDAB Cc1nsc(N2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)n1 96444982 FKUMHAHCHVJQGQ-JSGCOSHPSA-N 337.493 1.663 0 40 EDAB NS(=O)(=O)[C@H]1CCN(Cc2ccc(Br)c(F)c2)C1 89768327 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CCn1nc(N2CCN(Cc3csc(C4CC4)n3)CC2)ccc1=O 2298031325 IFROITLYZQXUIN-UHFFFAOYSA-N 345.472 1.919 0 40 EDAB O[C@H]1CCCC[C@@H]1N1CCN(c2nccc(N3CCCC3)n2)CC1 2298178383 NKYRDDKBLDWKLK-HOTGVXAUSA-N 331.464 1.502 0 40 EDAB O=C(NCCn1nc([C@H]2CCNC2)c2nccnc21)c1ccccc1 19369067 IHTVYRSRZCSGBA-AWEZNQCLSA-N 336.399 1.333 0 40 EDAB Cn1cc([C@H](O)CNC(=O)C(=O)Nc2cccnc2)c2ccccc21 96096520 LQGLBFPUAQMCHV-MRXNPFEDSA-N 338.367 1.362 0 40 EDAB Cc1cc(N2C(=O)C[C@H](N3CCN(C4CCCCC4)CC3)C2=O)no1 100188386 FQMBNYPEWLVJKB-HNNXBMFYSA-N 346.431 1.565 0 40 EDAB O=C(Nc1nnc2ccccn12)[C@@H]1CC(=O)N(CC(F)(F)F)C1 30711276 PXWCUISNSSDIPO-MRVPVSSYSA-N 327.266 1.079 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1 40496548 YCCZITKZPONFPC-CHWSQXEVSA-N 335.452 1.539 0 40 EDAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8240452 DFZIJPKARYOYSF-OAHLLOKOSA-N 334.441 1.876 0 40 EDAB Cc1cc(NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)n(C)n1 70040467 DWCOBBSKIFKJMZ-INIZCTEOSA-N 343.431 1.612 0 40 EDAB NS(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 70018635 CDMJJTXVXVKBJS-UHFFFAOYSA-N 331.441 1.597 0 40 EDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1cccs1 46202088 KQYMZFROUYCCNP-GFCCVEGCSA-N 349.456 1.385 0 40 EDAB CC(=O)NC1=C(c2ccc(C)cc2)N2NC(C)(C)C(=O)N=C2S1 4387685 ADQJFAXITNAFNE-UHFFFAOYSA-N 330.413 1.985 0 40 EDAB CCN1CC[C@@H](CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 101689359 ZVADKWXVMGSPSQ-AWEZNQCLSA-N 326.400 1.304 0 40 EDAB COc1ccccc1CCNc1c(NCc2ccccn2)c(=O)c1=O 101690734 MIWXKZPPJSNMHE-UHFFFAOYSA-N 337.379 1.953 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1Cl 6259956 CUTIPUBLYRNCIQ-VIFPVBQESA-N 348.852 1.930 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)/C=C/c1ccc2c(c1)OCO2 6497150 BMNSYRQMAHGLAU-BREXMAIKSA-N 334.328 1.206 0 40 EDAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@@H]2C=C[C@H]1C2 6731891 CVFJKTXJTUYOLX-DHMWGJHJSA-N 344.367 1.087 0 40 EDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N3CCCCC3)c(=O)c12 7553176 GRDQSVBBPAUZJK-UHFFFAOYSA-N 347.371 1.487 0 40 EDAB C[C@@H](Sc1nnnn1C)C(=O)Nc1ccc(N2CCOCC2)cc1 2661098 LAHJRWAWMKJFGK-LLVKDONJSA-N 348.432 1.166 0 40 EDAB NC(=O)CN1CCN(c2ccnc3c(Br)cccc23)CC1 69385121 LUMPHUPFABTYCU-UHFFFAOYSA-N 349.232 1.605 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CN1CSCC1=O)c1ccccc1F 29999840 HZMVQCDOJMQGCL-OAHLLOKOSA-N 348.403 1.298 0 40 EDAB C[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1nnc2n1CCC2 41789346 WXLFXACIXTVWIG-NSHDSACASA-N 328.372 1.415 0 40 EDAB COCCn1/c(=N/C(=O)C2=COCCO2)sc2cc(C)ccc21 100872390 CDNOPICIGIHCOE-MSUUIHNZSA-N 334.397 1.973 0 40 EDAB C[C@@H](C(=O)OCC(=O)c1ccc[nH]1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 103463817 UIXVGHIVZJNWAZ-SDDRHHMPSA-N 332.356 1.304 0 40 EDAB O=C(NCCc1nnc2ccccn12)[C@H]1CCCN(C(=O)C2CC2)C1 42720759 LINJAZUMDRAFEL-AWEZNQCLSA-N 341.415 1.037 0 40 EDAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC[C@H]3CCCO3)c2C)n1 24538889 LTACNDONAOFHEC-OAHLLOKOSA-N 343.431 1.734 0 40 EDAB CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(C(N)=O)cc1 24887475 YMVBUTCRFFCIHH-UHFFFAOYSA-N 333.369 1.409 0 40 EDAB O=C(Nc1ncccc1O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12521559 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CCCS(=O)(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 58282395 YMTYFZDYDHIBCD-UHFFFAOYSA-N 339.461 1.055 0 40 EDAB CC(C)N(C)S(=O)(=O)N1CCN(C(=O)NC2CCCCC2)CC1 58293420 JPFSNVJYXDCFCS-UHFFFAOYSA-N 346.497 1.231 0 40 EDAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)CN1CCOCC1 44940604 PNILFNLUHDNAQW-LBPRGKRZSA-N 342.871 1.951 0 40 EDAB CCCC(=O)NCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 58391653 BCEIJRCFJQJGNM-CQSZACIVSA-N 337.489 1.993 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNC1CCN(C(=O)c2ccoc2)CC1 58391519 ZINWVVWUXFWYKZ-UHFFFAOYSA-N 345.447 1.782 0 40 EDAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cccnc2)cc1 10745086 KZWRPNDRJYIUNW-UHFFFAOYSA-N 347.440 1.839 0 40 EDAB COc1ccc(NC(=O)[C@H]2CCCN2CCC(=O)NC2CC2)cc1 48356122 SFKGUZBWYKITJK-MRXNPFEDSA-N 331.416 1.767 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 48363139 RNDORFGCHFZYRW-ZDUSSCGKSA-N 347.415 1.666 0 40 EDAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC2CCCCC2)c1 12846249 SDUHKKMZJASTAX-UHFFFAOYSA-N 346.474 1.548 0 40 EDAB CCC(=O)c1ccc(OCC(=O)NCCCN2CCCC2=O)cc1 3419778 GLMSSFKBLSLTEP-UHFFFAOYSA-N 332.400 1.787 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)CSc1nc(C)c(C)c(C)n1 12978212 LQLZHRJACNKEFA-UHFFFAOYSA-N 338.477 1.867 0 40 EDAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(O)nn2)cc1 48911440 KMCZPZHCVPETDK-NSHDSACASA-N 328.372 1.641 0 40 EDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc2nsnc12 4034813 SGBDKJDDAOMBID-UHFFFAOYSA-N 342.446 1.180 0 40 EDAB CC(C)(C)c1nc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)no1 63957753 OVOSBAZFTOYTOB-GFCCVEGCSA-N 348.447 1.977 0 40 EDAB COCCn1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)ccc1=O 49574658 AWYUZPAEJSYCHL-UHFFFAOYSA-N 348.746 1.937 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCCN2CCN2C(=O)NC(C)(C)C2=O)n1 69924176 JJZKKCJTQCAMMB-AWEZNQCLSA-N 348.451 1.080 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)c2ccccc2O)c1 49992341 WVDOVKVSUHIKDP-UHFFFAOYSA-N 334.397 1.371 0 40 EDAB Cc1cc(C)nc(NNC(=S)NCc2ccc3c(c2)OCO3)n1 6330815 MUQKMPMWQAJRNL-UHFFFAOYSA-N 331.401 1.813 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1 14188140 DBOASJYSLYTSCW-JTQLQIEISA-N 349.822 1.874 0 40 EDAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)c1ccc(O)cc1O 18270619 FOXOAOGXLCYHHP-INIZCTEOSA-N 330.292 1.664 0 40 EDAB NC(=O)c1ccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)cc1 4785090 IBPUPTQQOIEEGM-UHFFFAOYSA-N 346.408 1.729 0 40 EDAB C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)c3ccon3)CC2)C1 66422263 BVYVKCDZBCAIDD-UONOGXRCSA-N 334.420 1.127 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)CSc2ccccc2Cl)CC1 8941812 ZRSOKIXUIQJEQE-UHFFFAOYSA-N 348.877 1.536 0 40 EDAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCOCC1 20792282 HYVLPWQXDRFDIJ-UHFFFAOYSA-N 349.362 1.754 0 40 EDAB Cc1ccnn1-c1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 15516813 JZBTXRQYGKGULZ-UHFFFAOYSA-N 338.411 1.875 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)NC(C)(C)C 7480680 CQNFUZZVTDVAMH-NSHDSACASA-N 341.429 1.859 0 40 EDAB Nc1cc(=O)[nH]c(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1 16051078 APXWOVFACCIWDP-AWEZNQCLSA-N 330.413 1.808 0 40 EDAB CC1(C)CN=C(N2CCN(CCCCCn3cncn3)CC2)S1 81016451 IKSGUBXRCGZFCR-UHFFFAOYSA-N 336.509 1.947 0 40 EDAB CN(Cc1nccn1C)C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F 68719059 IEUCGSBRKVBNNX-JTQLQIEISA-N 348.325 1.542 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CCCNC2)cc1Br 71397511 UQXFANGVHVHQKI-VIFPVBQESA-N 349.250 1.488 0 40 EDAB COC(=O)CN1CCN(c2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 71799905 LGKHFUFDXGCVFF-INIZCTEOSA-N 347.415 1.099 0 40 EDAB CC(C)(C)C(=O)NCC(=O)Nc1cccn(CC(F)(F)F)c1=O 96462337 IPFHXGMUDUUWSZ-UHFFFAOYSA-N 333.310 1.511 0 40 EDAB Cc1ccccc1OCCOn1nnc2ccc(S(C)(=O)=O)cc21 9503145 GAIKWEJICSNZLE-UHFFFAOYSA-N 347.396 1.651 0 40 EDAB CCOc1ccc([C@H]2CCCN2C(=O)CN2C(=O)CN(C)C2=O)cc1 71847836 SHROMRDOLDFHLO-OAHLLOKOSA-N 345.399 1.643 0 40 EDAB Cc1cc(NC(=O)c2cccc(F)c2)n([C@@H]2CCS(=O)(=O)C2)n1 84102024 DSIHIKNZIYAARU-CYBMUJFWSA-N 337.376 1.943 0 40 EDAB C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc23)C[C@H]1N1CCOCC1 76053398 BTERBUMQBVUGBV-SUMWQHHRSA-N 341.411 1.321 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)n1 72235372 GXMNLAPBFNSXGR-DZGCQCFKSA-N 331.420 1.069 0 40 EDAB C[C@@H](O)CCN(C)C(=O)CNC(=O)c1ccc(Br)cc1 97095619 ZOSITNAZFQKUGW-SNVBAGLBSA-N 343.221 1.408 0 40 EDAB Cn1cc(CCC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)cn1 97198210 WBGSYVHUSFEKDS-CQSZACIVSA-N 329.448 1.978 0 40 EDAB Cn1ncnc1CNC(=O)N1CCO[C@H](CCc2ccccc2)C1 97110194 MULNFKJJPLNBJU-OAHLLOKOSA-N 329.404 1.358 0 40 EDAB NC(=O)c1ccccc1NC(=O)CN1CCOC[C@H]1c1ccccc1 72895279 CZLCXHCLIZECEL-KRWDZBQOSA-N 339.395 1.798 0 40 EDAB CN1CCN(C(=O)Cn2ccc(NC(=O)c3ccc(F)cc3)n2)CC1 95399043 URNINXZFCIDJIL-UHFFFAOYSA-N 345.378 1.049 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cn1 95433027 PEPCRJPAEOUBEX-LBPRGKRZSA-N 349.334 1.451 0 40 EDAB CCn1nc(C)c(CNc2cc(N3CCC[C@H]3CO)ncn2)c1C 78766422 ZDNVTZCXBMDHPS-AWEZNQCLSA-N 330.436 1.883 0 40 EDAB O=C1NC[C@H](CSc2nc(O)c3cnn(-c4ccccc4)c3n2)O1 78805978 KZUNXZDNUSWCJT-SNVBAGLBSA-N 343.368 1.722 0 40 EDAB C[C@@H](OC1CCCC1)C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 78901523 XBOUVPGWRDVGLS-NEPJUHHUSA-N 334.420 1.562 0 40 EDAB CCOC(=O)c1cn(C)nc1NC(=O)NCc1ccc2c(c1)OCO2 95996405 OXUPIXPSAYHLSP-UHFFFAOYSA-N 346.343 1.647 0 40 EDAB CCc1cccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c1 95942384 PULIHMUQBVFGAQ-CQSZACIVSA-N 326.418 1.262 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c(C)c1C 75103717 MHZAUSGUZPSELT-CHWSQXEVSA-N 340.445 1.634 0 40 EDAB Cc1nnc(CN(C)[C@H]2CCN(CCOc3ccccc3)C2)n1C 89736005 NIKMYYNQLNXRCY-INIZCTEOSA-N 329.448 1.709 0 40 EDAB CN(C)CC(=O)N1CCC(c2ccnc(Nc3cncnc3)n2)CC1 72354971 CDYISHDNWOWQSP-UHFFFAOYSA-N 341.419 1.278 0 40 EDAB COC(=O)[C@H](C)N(C(=O)CCC1CCCC1)[C@H]1CCS(=O)(=O)C1 32641335 YTVNYCNOUJOXNW-JSGCOSHPSA-N 345.461 1.534 0 40 EDAB Cc1nc(CN2CCN([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cs1 74085391 MJPCNBNBZSAQGP-MRXNPFEDSA-N 348.447 1.935 0 40 EDAB O=C(c1cnccn1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38729432 IPOCLTMZBVGFNT-CVEARBPZSA-N 336.395 1.565 0 40 EDAB CCN(CC)CCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 72238022 ZDZZYGRIFURMNB-ZWKOTPCHSA-N 347.459 1.433 0 40 EDAB O=C(C1CCC1)N1CCC[C@H](n2nnn(-c3ccccc3)c2=O)C1 72341963 ZRAZGALMKUOHRN-HNNXBMFYSA-N 327.388 1.393 0 40 EDAB CN1CCN(C(=O)C2CCC2)C[C@H](Cc2cc(N(C)C)ncn2)C1 72378183 ULLQEKBDANJLNC-CQSZACIVSA-N 331.464 1.275 0 40 EDAB COc1ccccc1NC(=O)Cn1c(=O)c2nncn2c2ccccc21 64871387 WNWCLTKMNBCLJH-UHFFFAOYSA-N 349.350 1.692 0 40 EDAB Cn1c(C(F)(F)F)nn(CCNC(=O)Nc2ccccc2F)c1=O 85555809 SYYUURCCTVRBIE-UHFFFAOYSA-N 347.272 1.561 0 40 EDAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CCCC(=O)c1ccccc1 225632429 KTELOYFRGMGVCM-LSDHHAIUSA-N 333.384 1.829 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)Nc1cnc(N2CCOCC2)nc1 75161826 PRCNAACXJBFXGI-UHFFFAOYSA-N 337.383 1.976 0 40 EDAB CC(=O)Nc1cccc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)c1 40283402 ZLABKFSXZVHOKI-MRXNPFEDSA-N 336.355 1.860 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)cc1 224221007 DVKDHVQCYOURKO-UHFFFAOYSA-N 348.428 1.100 0 40 EDAB C[C@H](NCCC(=O)N1CCN(C)CC1)[C@@H]1CCCN(C2CCC2)C1 330032846 SINMNEQHHJZXAA-DLBZAZTESA-N 336.524 1.393 0 40 EDAB O=C(c1ccoc1)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 96048716 HFYZEBWXDAZTMY-KRWDZBQOSA-N 326.356 1.729 0 40 EDAB Cn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1ccnnc1)C2 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BKHLXZXVOWOCPB-KRWDZBQOSA-N 327.432 1.824 0 40 EDAB COCC(=O)N1CCC[C@H](Cc2nccnc2-c2cnc(C)n2C)C1 257243209 IFWSROFJTYBFLD-CQSZACIVSA-N 343.431 1.613 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNc1cccc(C(=O)O)n1 263431573 TVBFROAMXDIWGA-GHMZBOCLSA-N 327.406 1.300 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ncc(C(C)C)s1 266331416 KFXOBSCHCWZKPP-UHFFFAOYSA-N 344.418 1.967 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 277647455 KOHKILYKMKENHT-NSHDSACASA-N 331.338 1.629 0 40 EDAB COC(=O)c1sccc1CS(=O)(=O)NC[C@@H]1CCCS1 1615586678 XGSIKDFEBLSESF-JTQLQIEISA-N 335.472 1.850 0 40 EDAB CC(C)(C)OC(=O)NCCCS(=O)(=O)NCCc1ccccn1 1615552330 UPCKYTATBJNVNS-UHFFFAOYSA-N 343.449 1.458 0 40 EDAB Cc1cc(C)n([C@@H]2CCCN([C@@H]3CCCCN(CC(=O)O)C3=O)C2)n1 643874722 BBKKPXNPQVOOEA-HZPDHXFCSA-N 348.447 1.603 0 40 EDAB CO[C@@H]1CCOC2(C1)CN(C(=O)Cc1ccc3c(c1)CCCO3)C2 575402416 AIDXETBFVUPZAH-MRXNPFEDSA-N 331.412 1.961 0 40 EDAB COc1nc(CNC(=O)Cc2ccccc2)nc(N2CCCCC2)n1 575604166 SGKATMQUZIRJLQ-UHFFFAOYSA-N 341.415 1.729 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2ccc3nc(C(C)C)[nH]c3c2)[C@@H]1O 585287374 ZKGXIXRHUHKPEA-OAGGEKHMSA-N 347.415 1.533 0 40 EDAB O=C(c1ccncc1)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585277326 UPXKFLRVPIAEGE-SFHVURJKSA-N 330.359 1.667 0 40 EDAB O=C(NCC1CC1)[C@H]1CN(C(=O)c2cccc(O)c2)Cc2cncn21 585096087 ZVZMVHKZGWHVIF-MRXNPFEDSA-N 340.383 1.312 0 40 EDAB CCCc1onc(C)c1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NC)C1 585095388 UEXJJGXBFDLGOH-ZDUSSCGKSA-N 345.403 1.465 0 40 EDAB CCC(=O)c1ccc(OCC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 44718030 ZREQMQWNTZMLOR-GFCCVEGCSA-N 339.413 1.209 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC(Cc2ccccc2)CC1 53507487 ACMHOWPLWQGCSA-MRXNPFEDSA-N 336.457 1.838 0 40 EDAB CCn1cc(CN2CCCN(C(=O)C3(C)CCOCC3)CC2)cn1 69585709 FJESUEACRBRLKK-UHFFFAOYSA-N 334.464 1.754 0 40 EDAB O=C(CN1CCCC[C@@H]1CN1CCOCC1)N1CCc2ccccc21 69740854 FBUORXNDUJJXMB-GOSISDBHSA-N 343.471 1.762 0 40 EDAB COc1ccccc1/C=C/C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 65423102 IBDKFEUZSJHBDL-HBWSCVEGSA-N 338.429 1.249 0 40 EDAB Cn1cc(C(=O)NCCC(=O)N2CCCCC2)c(-c2cccnc2)n1 65869464 XNPSFDHGXKRNSW-UHFFFAOYSA-N 341.415 1.615 0 40 EDAB C[C@@H](CC(=O)Nc1cn(C)c(=O)n(C)c1=O)C(=O)c1cccc(F)c1 573862097 YKMASLIYANDQBX-JTQLQIEISA-N 347.346 1.071 0 40 EDAB COCC(=O)N1CCN(Cc2cc(O)ccc2Br)CC1 95982470 JKUFIRAAGIRRPQ-UHFFFAOYSA-N 343.221 1.445 0 40 EDAB O=S(=O)(NC1CN(c2cnccn2)C1)c1cccc2ccccc12 1250624670 OHTYRKXPSLHREC-UHFFFAOYSA-N 340.408 1.797 0 40 EDAB O=C(CC[C@H]1CCO1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 1615556661 MSSWTYINMWXCOZ-ZDUSSCGKSA-N 338.354 1.818 0 40 EDAB COCCn1ccc(NC(=O)[C@]2(N)CCc3c(OC)cccc32)n1 1615615899 UHOVAJSFVMGOQO-KRWDZBQOSA-N 330.388 1.277 0 40 EDAB COCCN(CC(C)C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 40504623 JQNJANVQIXAVHW-UHFFFAOYSA-N 340.445 1.864 0 40 EDAB COc1ccccc1CCCNC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 12191935 URFSRBVCFLQCCI-QGZVFWFLSA-N 342.399 1.671 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccc(=O)n(C)c1)c1ccc2c(c1)OCO2 12203835 RMYRVJVFHKTRRO-AWEZNQCLSA-N 343.383 1.147 0 40 EDAB CCOc1ccc(NC(=O)C[C@H]2SC[C@@H](C(=O)O)NC2=O)cc1 13636837 NDVYUEPRPPDNHX-NWDGAFQWSA-N 338.385 1.099 0 40 EDAB O=C(NCCn1nc([C@@H]2CCNC2)c2cccnc21)c1ccccn1 19400358 AXHYTVRWSQWVNT-CYBMUJFWSA-N 336.399 1.333 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3ccccc3F)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526745 UMDOTPGLDWJGAM-NEULZYRMSA-N 334.347 1.023 0 40 EDAB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1 169294745 VDLSNXQRYWSHGB-YKTARERQSA-N 348.395 1.853 0 40 EDAB CCOC(=O)C1=C(NC(=O)/C=C/C(=O)O)S[C@H]2CCCC[C@H]12 5457931 HGPQYMLBMDFBDG-GOPXOUGQSA-N 325.386 1.824 0 40 EDAB O=S(=O)(C1CCCCC1)N1CCC[C@@H](Oc2cccnn2)C1 225458408 QJLDFIDGPOGZNE-CYBMUJFWSA-N 325.434 1.982 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)N2CC(CC(F)F)C2)cc1Cl 520253318 XQRLMRXMZMJOCC-UHFFFAOYSA-N 338.763 1.715 0 40 EDAB CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl 12232595 WEIUXXAGQBIRSG-VQHVLOKHSA-N 325.800 1.412 0 40 EDAB Cc1cc(C(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)no1 575605073 GZPDWVHXDPXFLU-UHFFFAOYSA-N 345.407 1.154 0 40 EDAB O=C1[C@H]2CN(c3nccn4nccc34)C[C@@H]2C(=O)N1Cc1ccccc1 1888888327 KPTVRISMRVOLQZ-GJZGRUSLSA-N 347.378 1.351 0 40 EDAB Cc1ccc(NC(=O)[C@@H](O)[C@@H](O)C(=O)Nc2ccc(C)cc2)cc1 17877785 KNHRUQNJVNHSIR-IYBDPMFKSA-N 328.368 1.602 0 40 EDAB COc1c(N)ncnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 573106830 OBEIANZSBNOUSI-LSDHHAIUSA-N 325.416 1.778 0 40 EDAB CC1CC(C(=O)N2CCc3c(ncn3C)[C@@H]2CN2CCOCC2)C1 1565548435 BZFZBGFPUOIUJQ-XUJLQICISA-N 332.448 1.224 0 40 EDAB CC(=O)N1N=C(C)C[C@]12CC[C@H]1CN(C(=O)CC3(O)CCC3)C[C@H]12 1565556223 ZJWZEEZTXOPIIO-DAYGRLMNSA-N 333.432 1.527 0 40 EDAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cn(C)nc1C 11923797 HJGVAAGXHWZHTL-UHFFFAOYSA-N 338.389 1.496 0 40 EDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)C2=CCCC2)CC1 2055781617 VDFGAIGCDAXXAU-UHFFFAOYSA-N 346.431 1.074 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(c2nc3c(F)cccc3s2)C1 2298066027 RIGPZGKIKUZCEC-SECBINFHSA-N 329.422 1.953 0 40 EDAB O[C@H](CNC[C@@H]1COc2ccccc2O1)COc1ccccc1F 7653971 KLUNJYXSFMNMHE-ZIAGYGMSSA-N 333.359 1.995 0 40 EDAB 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CC(=O)N1CCC(NC(=O)NCc2ccc(OC(C)C)nc2)CC1 48155122 SWPIZDGNJYZDRX-UHFFFAOYSA-N 334.420 1.679 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)NCCCn1cncn1)CO2 48150670 YAUUVNYXHXJVON-UHFFFAOYSA-N 328.372 1.659 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c1 3326471 ZFCCZQJFFYTXGZ-UHFFFAOYSA-N 345.340 1.161 0 40 EDAB NC(=O)c1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1 12767241 CBWBWXGCRFQHSW-UHFFFAOYSA-N 325.368 1.473 0 40 EDAB Cc1cc(C)n(CCCNC(=O)Cn2c(=O)n(C)c3ccccc32)n1 48288591 OUJLRDYSLSBHPV-UHFFFAOYSA-N 341.415 1.360 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COc3ccccc3C2)C1 48339964 XMAXOHCUFYSIRH-LSDHHAIUSA-N 332.400 1.975 0 40 EDAB CCn1c(CNC(=O)c2cnc3ccccn3c2=O)nc2ccccc21 48300918 OODVAVPIVJGORH-UHFFFAOYSA-N 347.378 1.994 0 40 EDAB O=C(N1CCN(C[C@H]2COCCO2)CC1)C1(c2ccc(F)cc2)CC1 69738039 WXGZUSNBOGRWIX-KRWDZBQOSA-N 348.418 1.417 0 40 EDAB CNC(=O)c1ccc(CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 12858473 TYCAAQLQQRIRRR-LLVKDONJSA-N 343.435 1.072 0 40 EDAB Cn1cc([C@@H]2CCCN2CC(=O)N2CCO[C@H]3CCCC[C@@H]32)cn1 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CC[C@H](C)N1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 5347909 CUZJTCOREIJEIC-CFDQXOQFSA-N 345.374 1.365 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@H](c1ccc(OC)cc1)NC(=O)N2 14135140 KTDMDCMCJYMKEG-INIZCTEOSA-N 345.399 1.572 0 40 EDAB CC(C)OCCCNC[C@@H](O)COCc1ccc2c(c1)OCO2 6647052 DAVJOWTYXHWTJA-OAHLLOKOSA-N 325.405 1.698 0 40 EDAB Nn1c(SCc2ccccc2Cl)nnc(CCC(=O)O)c1=O 4854817 HOKGSVQONBJMAJ-UHFFFAOYSA-N 340.792 1.315 0 40 EDAB Cc1ccc(OCCNC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)c1 7320979 MLKAKQBDXOTWKC-UHFFFAOYSA-N 333.388 1.129 0 40 EDAB NC(=O)c1ccc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)nn1 80678721 GCBZLWVZSMNAQQ-INIZCTEOSA-N 330.363 1.665 0 40 EDAB C[C@H]1CN(c2ccc(C(=O)N3CCN(C)C[C@H]3C)cn2)C[C@@H](C)O1 89938568 YPUHDGQCGGALTE-KFWWJZLASA-N 332.448 1.471 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 9460312 UOXZYBRQXODYCN-GFCCVEGCSA-N 334.800 1.720 0 40 EDAB Cc1cccc(OCCN(C)[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 71794671 PDAORAYMJUXKRC-OAHLLOKOSA-N 347.459 1.418 0 40 EDAB 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COc1ccc(OC)c2c1CN(CC(=O)NCc1ccco1)C[C@H]2O 26155339 PLIYSHZAFZSMNT-CQSZACIVSA-N 346.383 1.462 0 40 EDAB O=C(NCc1nnc2ccccn12)N1CCC[C@@H](N2CCCC2)C1 89878866 FJZJOSREAGGYAJ-CQSZACIVSA-N 328.420 1.499 0 40 EDAB Cc1cc(C)cc(NC(=O)CN2CCN(c3ncccn3)CC2)c1 57457663 TVZREZCLPUVGRK-UHFFFAOYSA-N 325.416 1.854 0 40 EDAB O=C(NCc1ncc[nH]1)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 108469270 LVJUIKBNNBGMKG-RDBSUJKOSA-N 326.404 1.654 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 16400932 YINBGGCMYSGWGO-MRXNPFEDSA-N 331.303 1.824 0 40 EDAB CCSCCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 58278052 KWFIVILWAFDYKR-UHFFFAOYSA-N 335.473 1.595 0 40 EDAB C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2F)C1 58267332 FXKUJOVMDLRPSL-LLVKDONJSA-N 346.399 1.892 0 40 EDAB Cn1c(=O)c2c(ncn2CCCOc2cccc(Cl)c2)n(C)c1=O 58292726 WWTBASCTYMFVBQ-UHFFFAOYSA-N 348.790 1.556 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)N1CCCc2ccccc21 36384496 MFUXIPPIUQNJTG-UHFFFAOYSA-N 337.427 1.578 0 40 EDAB COc1ccc(CNC(=O)c2ccc(N3CCOCC3)nc2)cc1 12774749 SQKSTQAGUATGCX-UHFFFAOYSA-N 327.384 1.857 0 40 EDAB COc1ccc(C2=CCN(C(=O)CCNS(C)(=O)=O)CC2)cc1 48286019 QPWFBXWNWSQOMS-UHFFFAOYSA-N 338.429 1.250 0 40 EDAB CCN(C[C@H]1CCCO1)C(=O)Nc1ccccc1OCCC(N)=O 69033571 BRBVYYOAHPGFGO-CYBMUJFWSA-N 335.404 1.974 0 40 EDAB COc1cccc(CN(C)C(=O)c2cccc(S(N)(=O)=O)c2)c1 12986833 WXEDKTAQSCTZBD-UHFFFAOYSA-N 334.397 1.615 0 40 EDAB O=C1CCCN1CC[C@H]1CN(C(=O)[C@@H]2CCCN2)c2ccccc21 81644891 WURWLSAOCPMTDM-HOCLYGCPSA-N 327.428 1.881 0 40 EDAB COC(=O)c1ccc(CN(C)Cn2nc3ccccn3c2=O)cc1 13018312 OPTYMRFBWACAKC-UHFFFAOYSA-N 326.356 1.372 0 40 EDAB Cn1cnnc1CCNC(=O)CSc1nc2ccccc2s1 69351628 JJQHMVGPSJVWEK-UHFFFAOYSA-N 333.442 1.876 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H](CN[C@H]2CCCCNC2=O)C1 69873671 VPTBMXWJIHONIO-KGLIPLIRSA-N 325.453 1.892 0 40 EDAB COc1cc(CN[C@H]2CCCN(c3cccnn3)C2)cc2c1OCO2 69874043 BAGAMVIMAXENRD-AWEZNQCLSA-N 342.399 1.973 0 40 EDAB C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O 13534655 SEEGHKWOBVVBTQ-KJMIGDBJSA-N 330.380 1.912 0 40 EDAB biogenic,in-vitro CCCc1nc(C[S@](=O)CC(=O)NCc2cccs2)no1 64824780 PFKHKJDIHFTEAM-OAQYLSRUSA-N 327.431 1.649 0 40 EDAB O=C(NCCn1ccnc1)C1CCN(c2ccc(Cl)nn2)CC1 65430112 JLWCDXUEKFLOIO-UHFFFAOYSA-N 334.811 1.359 0 40 EDAB COc1ccc(C[C@H](C)N(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 65412788 ALPWOBKUWKYGFA-LBPRGKRZSA-N 341.415 1.728 0 40 EDAB Cn1ncc2c(N3CCN(c4ccc(Cl)cn4)CC3)ncnc21 65415442 RZUMZVKOZPNOMB-UHFFFAOYSA-N 329.795 1.738 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)Cn1ccnc1)N(C)C 65404013 YMIVQUWDHXEIOS-GOEBONIOSA-N 345.447 1.882 0 40 EDAB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(F)c1)C1=C(COC1=O)N2 4495926 UNGLQWBIGGRRNS-LLVKDONJSA-N 343.314 1.064 0 40 EDAB CS(=O)(=O)CCOc1cccc(NC(=O)NC[C@H]2CCCO2)c1 69563028 AXKWZUXHIZOSBD-CQSZACIVSA-N 342.417 1.411 0 40 EDAB O=S(=O)(NC1CCN(Cc2ccccc2F)CC1)N1CCCC1 65626117 ZXYREXCZQAIHFX-UHFFFAOYSA-N 341.452 1.720 0 40 EDAB CCNC(=O)CN(CC)C(=O)CNC(=O)CCc1ccc(C)cc1 69537814 IXUWFOAEBVTREU-UHFFFAOYSA-N 333.432 1.028 0 40 EDAB O=C(C[C@H]1C=CCC1)NCC(=O)Nc1ccc(-n2cncn2)cc1 69517513 UQFYQFTWHMAQGQ-ZDUSSCGKSA-N 325.372 1.678 0 40 EDAB COC(=O)C[C@H](NC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)OC 14246117 NLYZMZXYTUWIIM-KOLCDFICSA-N 339.413 1.707 0 40 EDAB COc1ccc(-c2n[nH]c(S[C@@H](C(=O)NC(N)=O)C(C)C)n2)cc1 6581829 ACOPQWLURHLDRC-LLVKDONJSA-N 349.416 1.792 0 40 EDAB C[C@@H](C(=O)OCC(=O)c1ccc[nH]1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 14361551 UIXVGHIVZJNWAZ-QJPTWQEYSA-N 332.356 1.304 0 40 EDAB O=C(NC1CCCC1)c1nnc2n1CCN1CCN(CC3CC3)C[C@@H]21 306135125 OIOLSVDQRKDIKX-HNNXBMFYSA-N 344.463 1.033 0 40 EDAB CCCc1cc(C(=O)N2CCC(N(C)c3cccnn3)CC2)[nH]n1 69919112 SFYZGLOICOKNAP-UHFFFAOYSA-N 328.420 1.893 0 40 EDAB O=C(N[C@@H](CO)C(=O)O)c1ccc2noc(-c3ccccc3)c2c1 8990682 DEYQICAVQHQTET-AWEZNQCLSA-N 326.308 1.670 0 40 EDAB O=C(NCCc1cccs1)[C@H]1COCC(=O)N1Cc1ccccc1 70641552 IUIXJJOMZDAZQS-MRXNPFEDSA-N 344.436 1.834 0 40 EDAB CCOCCC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 66421140 AFGSVEWOXMPLIY-JKSUJKDBSA-N 339.480 1.252 0 40 EDAB CCOC(=O)/C=C/C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 4979496 AIPWWYLWPZMZLX-ONEGZZNKSA-N 335.400 1.734 0 40 EDAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccon2)c(C)c1 9049556 GUKNENVRZHKKSA-UHFFFAOYSA-N 330.373 1.998 0 40 EDAB CCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)C1 71186429 LOWJFQXINNRNDK-RDJZCZTQSA-N 343.427 1.481 0 40 EDAB Cc1nc([C@@H]2COCCN2S(=O)(=O)CC2CCCCC2)no1 96000548 LORFKBMELLWGFA-ZDUSSCGKSA-N 329.422 1.661 0 40 EDAB CN1CCN(C2CCN([C@H](C(N)=O)c3ccc(F)cc3)CC2)C1=O 75604101 CYFSPLIBKOAWHO-HNNXBMFYSA-N 334.395 1.184 0 40 EDAB CN(Cc1ccn(C)c(=O)c1)C[C@@H](c1cccs1)N1CCOCC1 75603808 CAHACXQZJPIVQA-INIZCTEOSA-N 347.484 1.952 0 40 EDAB Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)no1 9384613 PZWUIZQMOKHSJN-UHFFFAOYSA-N 327.337 1.381 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H](C)Cc1ccc(Br)cc1 83599354 XTJRRZFOEMYORN-SECBINFHSA-N 349.250 1.046 0 40 EDAB NS(=O)(=O)c1ccc(CNc2nc(Cl)nc3[nH]cnc23)cc1 9420397 HUSKLQOJCLVGAQ-UHFFFAOYSA-N 338.780 1.266 0 40 EDAB CC(C)[C@@H](C(=O)NCc1nc2ccc(F)cc2[nH]1)N1CCCC1=O 76092419 RKXBGDUTPJMRAA-INIZCTEOSA-N 332.379 1.965 0 40 EDAB C[C@@H](O)C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 96420849 UNRGZESXSGNDIZ-QAPCUYQASA-N 332.444 1.507 0 40 EDAB C[C@H]1CN(C(=O)C(=O)Nc2ccccc2OC(F)(F)F)CCO1 71819804 PQJMAYGROJXYGK-VIFPVBQESA-N 332.278 1.771 0 40 EDAB CN1CCN(c2ccccc2CNC(=O)COC[C@@H]2CCCO2)CC1 71803300 BNBNGCFGUYXANU-KRWDZBQOSA-N 347.459 1.250 0 40 EDAB CN([C@H](C(N)=O)c1cccc(F)c1)[C@@H]1CCN(CC(F)(F)F)C1=O 71893087 GYKZPRCDCBVLPE-NEPJUHHUSA-N 347.312 1.447 0 40 EDAB CCOC(=O)N1CCN(C(=O)Nc2ccc3oc(=O)n(C)c3c2)CC1 71855019 KJHDPOGLFWYSJQ-UHFFFAOYSA-N 348.359 1.438 0 40 EDAB C[C@H](OC[C@H]1CCCCO1)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 71911398 PCAYCILSPLMXNA-GXTWGEPZSA-N 342.436 1.696 0 40 EDAB Cc1nc(COC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)no1 71913770 QYAKEJPPAVPHNC-VIFPVBQESA-N 329.378 1.731 0 40 EDAB CCCn1nnnc1CN1CCCN(C(=O)c2cccs2)CC1 71900618 QDKGYWMMQDLDAB-UHFFFAOYSA-N 334.449 1.493 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1 72269237 VBFBUYHRWWIYKR-UONOGXRCSA-N 336.436 1.183 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282901 OGDMJPAGKVVPOF-CYBMUJFWSA-N 330.388 1.850 0 40 EDAB CCOc1cccc(CNC(=O)NC[C@H](c2cnn(C)c2)N(C)C)c1 72287689 SJDZGDBIFXFNFR-QGZVFWFLSA-N 345.447 1.921 0 40 EDAB CC(C)c1nc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)no1 72232110 PZWMYVRFKRBVIJ-GFCCVEGCSA-N 330.388 1.912 0 40 EDAB Cn1cccc1[C@H]1COCCN1C(=O)c1cc(-n2cccn2)ccn1 97143934 NXIUJDRPYDOOJB-QGZVFWFLSA-N 337.383 1.820 0 40 EDAB COc1ccc(-c2c3c(C)nn(C)c3nc3[nH]c(=O)[nH]c(=O)c23)cc1 72332773 FBLRTSSSUZVQEQ-UHFFFAOYSA-N 337.339 1.482 0 40 EDAB Cc1ccc(-c2csc(NC(=O)C[C@H]3NC(=O)NC3=O)n2)cc1C 97597457 XRULLXCHHGLHPJ-LLVKDONJSA-N 344.396 1.964 0 40 EDAB Cc1nc(CN(C)[C@@H]2CCN(Cc3nnsc3Cl)C2)no1 78890979 JESAGAICAKMHKS-SECBINFHSA-N 328.829 1.589 0 40 EDAB C[C@@H](O)[C@@H](C)S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2)c1 78833389 RXMAGKPZOYHHFH-ZIAGYGMSSA-N 339.457 1.997 0 40 EDAB CCC[C@@H](NC(=O)c1cncc(Br)c1)c1nnn[nH]1 84740428 WXKJNPGUQDMRCG-SECBINFHSA-N 325.170 1.628 0 40 EDAB CC[C@H](NS(=O)(=O)c1cnn(C)c1)[C@H](O)c1ccccc1F 95433317 FUXITPBNJKBIOD-UONOGXRCSA-N 327.381 1.350 0 40 EDAB CNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)C1 95440028 RJBBVFZWXKBYOR-RISCZKNCSA-N 344.864 1.669 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)OC[C@@H](O)COC(C)C)CC2=O)cc1 95454635 KTWLHQMEFAFLCM-HOCLYGCPSA-N 335.400 1.677 0 40 EDAB COc1ncccc1C(=O)N1CCN(Cc2noc(C3CC3)n2)CC1 89420701 CKTIFZCPDZFPBB-UHFFFAOYSA-N 343.387 1.309 0 40 EDAB Cc1noc(C)c1C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 89526156 MYEJFQBGZLFEFI-GFCCVEGCSA-N 327.340 1.749 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2CCCN(c3ccccn3)C2)c(=O)[nH]1 89568535 AWBSTBLKAVTIKK-OAHLLOKOSA-N 340.427 1.920 0 40 EDAB Cc1ccc(C(=O)NC[C@@H](O)CO[C@H](C)c2ccccc2)c(=O)[nH]1 75123941 IKBHOAFUIWAERF-UKRRQHHQSA-N 330.384 1.552 0 40 EDAB CCc1c(C(=O)N(C)[C@H](C)CS(=O)(=O)CC)[nH]c(C)c1C(C)=O 75137897 GSSREXCFGOAZJZ-SNVBAGLBSA-N 342.461 1.983 0 40 EDAB Cn1cc(CN2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)cn1 89755760 UKWCISKGRVSFGI-UHFFFAOYSA-N 346.456 1.767 0 40 EDAB Cc1oc(C(=O)OC2CSC2)cc1S(=O)(=O)N1CCCC1 1548596184 ZCQYOHPUGKOQNG-UHFFFAOYSA-N 331.415 1.645 0 40 EDAB O=C(N[C@H]1Cc2ccccc2[C@H]1N1CCOCC1)N1CCOCC1 20218859 NHHNYJOAJUCCLR-DLBZAZTESA-N 331.416 1.026 0 40 EDAB CNC(=O)c1ccc(OC)c(NC(=O)c2ccc(C(=O)O)cn2)c1 556674727 ILKPEBHAKLVQRU-UHFFFAOYSA-N 329.312 1.400 0 40 EDAB CCC[C@H](CC)C(=O)NCC1(O)CN(C(=O)c2[nH]c(C)nc2C)C1 1045346595 FBMQNLNAZNXSBV-ZDUSSCGKSA-N 336.436 1.156 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(C(C)=O)c2)s1 36182863 UDEOVVWWYIPBGQ-UHFFFAOYSA-N 340.386 1.500 0 40 EDAB C[C@@H](C(=O)N1CCC2(CCC2)S(=O)(=O)CC1)c1cnn(C)c1 1550816132 QVZFJSCAUXDHEQ-GFCCVEGCSA-N 325.434 1.093 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1nc(-c2cccs2)no1 36133475 DUCOXOZZYDFBKC-UHFFFAOYSA-N 340.386 1.881 0 40 EDAB Cc1cc(=NC(=O)N[C@@H]2CCC[C@@H]2Oc2cnn(C)c2)cc(C)[nH]1 1553077707 QVGHMOLLEWHETQ-CVEARBPZSA-N 329.404 1.975 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)CC)c1 408699396 WQMKWFFNMWWRGD-UHFFFAOYSA-N 344.433 1.749 0 40 EDAB COCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3cnccn3)n2)C1 72360029 JULNTGNDQAFYCZ-CYBMUJFWSA-N 342.403 1.671 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccco2)cc1 33525493 VKNCXTXXWOTLCN-LLVKDONJSA-N 338.385 1.271 0 40 EDAB O=C(Cn1cnc2ccccc21)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 38490005 XNMJSOQSWWZZKP-CABCVRRESA-N 348.406 1.844 0 40 EDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc(F)cc(F)c1 71980079 OVJPZVICVSJXOZ-ZDUSSCGKSA-N 340.326 1.312 0 40 EDAB CNc1ncccc1CN1CCC[C@H]1c1cncc(CNC(C)=O)n1 72355903 UTBAJBUQEMQTLH-KRWDZBQOSA-N 340.431 1.887 0 40 EDAB CCn1ncc(S(=O)(=O)N2CC[C@H](c3nc(C)cc(C)n3)C2)c1C 72369757 HFDAHLWYYRRTSR-AWEZNQCLSA-N 349.460 1.796 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)C2(CO)CO)cc1 218049759 SDWLCSRWQZRCCY-IAGOWNOFSA-N 332.421 1.906 0 40 EDAB O=C(O)COc1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCO2)c1 567592355 WGDGXXFCRZVMAN-HUUCEWRRSA-N 335.356 1.170 0 40 EDAB CCc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnn3)C2)s1 225419192 IGTRPKVTOAKRKO-NSHDSACASA-N 339.442 1.943 0 40 EDAB CCCn1c(N2C(=O)c3cc4ccccc4cc3C2=O)cc(=O)[nH]c1=O 43722147 ZRKIOZVDDVVHTB-UHFFFAOYSA-N 349.346 1.900 0 40 EDAB CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)Cc2ccco2)c1 44225290 MZEKYHWBFLJLCW-NSHDSACASA-N 329.356 1.924 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccnn3c2)cc1 225576553 JCMOUPIKEZNVIP-UHFFFAOYSA-N 347.356 1.708 0 40 EDAB CC(C)[C@H](NCC(=O)N1C[C@H](C)O[C@H](C)C1)c1nc(C2CC2)no1 195550408 BCQLRLXTZIVRMV-ZOWXZIJZSA-N 336.436 1.870 0 40 EDAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCN(C)C)ccc21 225727759 UTWDHEVBRBRIMD-UHFFFAOYSA-N 343.474 1.313 0 40 EDAB CS(=O)(=O)N(CC(=O)N1CCCCCC1)Cc1ccccc1F 222994282 UFGJKSTWRFFRPZ-UHFFFAOYSA-N 342.436 1.990 0 40 EDAB COc1ccc([C@H](CC(=O)NCCC(C)C)NS(C)(=O)=O)cc1 225957240 JDUYUHYFBZSPRD-HNNXBMFYSA-N 342.461 1.838 0 40 EDAB O=C(N[C@H]1C=CCCC1)N1CCC(N2CCCS2(=O)=O)CC1 575772949 DULRWCMRFOGXKG-ZDUSSCGKSA-N 327.450 1.305 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccon2)cc1C(=O)O 225586949 KIPYTIMXEGJAHE-QMMMGPOBSA-N 326.330 1.421 0 40 EDAB CO[C@H]1CN[C@@H](C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 576430829 SDVFHNNVTBTCAL-GHMZBOCLSA-N 334.750 1.935 0 40 EDAB COCCN1CCCN(Cc2cc3ccccc3n(C)c2=O)CC1=O 583092167 HQLCGEWQESMILT-UHFFFAOYSA-N 343.427 1.219 0 40 EDAB CC(C)(C)c1ncc(/C=C/C(=O)N[C@H]2CCS(=O)(=O)C2)s1 96430499 JXZJJYQEJFWBQH-YEZKRMTDSA-N 328.459 1.757 0 40 EDAB Cc1nnc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)s1 95475651 ODNYLQXBHJOHQL-JTQLQIEISA-N 331.357 1.575 0 40 EDAB Cc1noc(CN(C)[C@H](C(N)=O)c2cccc(Br)c2)n1 93331773 PADPBYFHZDTVIP-LBPRGKRZSA-N 339.193 1.799 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2O[C@H](C[C@@H]2C(=O)Nc2cccnc2)C1 96253331 HPLVNYBENROBEM-HLLBOEOZSA-N 342.399 1.914 0 40 EDAB Cc1ccc(N2CCC[C@@]3(CCN(C(=O)[C@H]4CCCO4)C3)C2)nn1 96217139 QKLGJHULOYFURK-CRAIPNDOSA-N 330.432 1.783 0 40 EDAB COc1ncnc2c1CN(C[C@@H](O)COc1c(C)cccc1C)CC2 97202039 OMKJQOUPYVNLPE-OAHLLOKOSA-N 343.427 1.900 0 40 EDAB O=C1CCCN1Cc1ncn2c1CN(C(=O)NC1CCCC1)CCC2 96259406 BFMQWCNIYWSDBI-UHFFFAOYSA-N 345.447 1.863 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96202287 VIOLYWYLKNJQGS-MRXNPFEDSA-N 337.445 1.103 0 40 EDAB O=S(=O)(c1cccs1)N1CC[C@]2(C[C@H](n3cnnc3)CO2)C1 96219739 DCWDLRTYIXXEGX-AAEUAGOBSA-N 340.430 1.134 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](OC[C@@H]1CCCO1)C(C)C)C2 97198205 GBCZNDSBTQGPKN-ZOBUZTSGSA-N 335.448 1.843 0 40 EDAB CC(=O)N1CCC2(CC1)CN(C(=O)CN(C)C)c1ccc(C)cc12 96160997 FACGEFNRWFAJPS-UHFFFAOYSA-N 329.444 1.783 0 40 EDAB c1cnc(N2CCC3(CCOC[C@@H]3COc3cnccn3)CC2)nc1 96207392 ZYWHVQKGEIDABB-OAHLLOKOSA-N 341.415 1.969 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@]3(CC[C@H](CN(C)C)O3)C2)cn1 96063316 ZNYRQQZCGHHIOG-AEFFLSMTSA-N 333.432 1.342 0 40 EDAB OC1CN(Cc2cccc(OC[C@@H](O)CN3CCCCCC3)c2)C1 95496981 COAFKRBMQVBXQY-SFHVURJKSA-N 334.460 1.479 0 40 EDAB CS(=O)(=O)N1CCC[C@]2(CCC(=O)N2Cc2cccnc2)CC1 96218043 DYIOSLYQFLMTJI-INIZCTEOSA-N 337.445 1.388 0 40 EDAB COCCNC(=O)C[C@H]1C[C@H]2CN(Cc3csc(C)n3)C[C@H]2O1 96209597 UUWUUNPJAISGEI-NWANDNLSSA-N 339.461 1.194 0 40 EDAB O=C(N1CCC[C@@H]1[C@H]1COCC[C@H]1O)C(F)(F)C1(O)CCCCC1 583621164 ISVCSYBAGIJYCZ-MGPQQGTHSA-N 347.402 1.705 0 40 EDAB Cn1cc(CN2CC[C@H]3O[C@@H](C(=O)N4CCCCO4)CC[C@H]32)cn1 96187295 BXPQEBYIIGUHGC-BZUAXINKSA-N 334.420 1.096 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@H](OCc3ccncc3)CCO2)C1 247881489 VWBWPPYTUIBBEG-OAHLLOKOSA-N 340.383 1.462 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ncccc1C 257222260 DSPBTUNNHIAZKV-KRWDZBQOSA-N 325.372 1.058 0 40 EDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccnn1 257278373 OBZQTIBACBRYJJ-JXSMBQFASA-N 328.416 1.871 0 40 EDAB O=C(CCCN1CCCC1=O)N[C@H]1CCCN(c2ccccn2)C1 257263059 LOFGXLKPGJVDKT-HNNXBMFYSA-N 330.432 1.569 0 40 EDAB CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1sc2nnc(S)n2c1C 585089373 HZZRRFKBFCLKRQ-BQBZGAKWSA-N 342.446 1.705 0 40 EDAB CCCCOc1ncccc1CNC(=O)c1cnn2c(=O)cc[nH]c12 585080865 PZEIPUXFUTZZND-UHFFFAOYSA-N 341.371 1.527 0 40 EDAB C[C@@H]1NC(=O)[C@@H](C)N(S(=O)(=O)c2cnc3ccsc3c2)[C@H]1C 585115333 WVJMFGCBEBIHSE-LPEHRKFASA-N 339.442 1.582 0 40 EDAB COc1ccccc1[C@H]1CN(C(=O)CCc2ccnn2C)CCN1C 257297292 RGQZMGGJWIRDEO-QGZVFWFLSA-N 342.443 1.877 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cncnc3C)CC2)C[C@]1(C)CO 257333079 YABDKSYTZJPZOR-QGZVFWFLSA-N 346.431 1.011 0 40 EDAB Cc1nc(C[C@H]2CCCN(c3ccc(F)cn3)C2)cc(C(N)=O)n1 257333442 YBOTXKPCPJIZCE-GFCCVEGCSA-N 329.379 1.877 0 40 EDAB COc1ccccc1[C@H]1CNCCN1C(=O)CCCn1ccnc1 257238392 HKTXTRHJNGFSLH-MRXNPFEDSA-N 328.416 1.845 0 40 EDAB O=C(c1ccc2ccccc2n1)N1CC[C@@](O)(CN2CCOCC2)C1 257206685 BEMYRPDOLQBXQT-LJQANCHMSA-N 341.411 1.144 0 40 EDAB COCCO[C@@H]1CCN(C(=O)c2cc(C)on2)[C@H]1Cc1ccncc1 253479015 OGELLQHCSSJNLD-DLBZAZTESA-N 345.399 1.867 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257209590 BQZJPNIFJTYOHX-INIZCTEOSA-N 343.431 1.927 0 40 EDAB Cc1nsc(N2CCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)CC2)n1 275964052 MBBBMSYOHUDUFE-NSHDSACASA-N 348.432 1.036 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 279683226 SNALYGRXITYRLL-HZPDHXFCSA-N 331.416 1.240 0 40 EDAB O=C(c1cnccn1)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 96366568 KEXPWHQJQAJHLK-ZDUSSCGKSA-N 331.397 1.555 0 40 EDAB COc1ccc(C(=O)N(C)[C@@H]2COC[C@@H](OC)[C@H]2OC)cc1F 585288333 VTKUQZUNUVHZSE-YUELXQCFSA-N 327.352 1.335 0 40 EDAB O=C(C1CC(O)C1)N1Cc2ccnn2CC[C@@H]1COc1cccnc1 585097610 NPPMZKGWGGEBPE-OGVSOVDVSA-N 342.399 1.229 0 40 EDAB COC[C@@]1(CC(N)=O)CN(C(=O)c2cccc(F)c2Cl)CCO1 585279792 YOHAULXKOFIQHT-OAHLLOKOSA-N 344.770 1.212 0 40 EDAB Cc1cccc(CN2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)c1 585113056 YBPHSJQRHPOYPF-MRXNPFEDSA-N 334.445 1.298 0 40 EDAB CN(Cc1ccccc1)C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 585141671 YXIWPHDWYYCCRM-KRWDZBQOSA-N 344.459 1.523 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)c2cnccn2)CCO1 585276063 LPWPMLRQFLCAEQ-GOSISDBHSA-N 327.384 1.231 0 40 EDAB COC[C@]1(CC(N)=O)CN(C(=O)c2cccc(F)c2Cl)CCO1 585279791 YOHAULXKOFIQHT-HNNXBMFYSA-N 344.770 1.212 0 40 EDAB C[C@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)C[C@@H]1CCCO1 45359796 DTDIYYACNAABKY-RISCZKNCSA-N 329.393 1.424 0 40 EDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCc1cccc(Cl)c1 69919948 DBHLHTUVWYRFKM-OAHLLOKOSA-N 347.850 1.960 0 40 EDAB Cc1cc(C)c(CS(=O)(=O)CC(=O)N2CCO[C@H](C)C2)c(C)c1 67226220 CDKDOGXMHCTHNQ-OAHLLOKOSA-N 339.457 1.774 0 40 EDAB Clc1cnc(N2CCCN(c3ccc4nncn4n3)CC2)nc1 1565520785 PEGCULAACSPILH-UHFFFAOYSA-N 330.783 1.284 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2nccs2)C(=O)C1 1565522585 KVIWNAUMRGTPCJ-ZDUSSCGKSA-N 345.380 1.158 0 40 EDAB CCc1cc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)n(C)n1 76070487 PREVGKPUHJIMHN-AWEZNQCLSA-N 345.403 1.888 0 40 EDAB CCn1nc(C)c(S(=O)(=O)NCc2cc(C3CC3)ncn2)c1C 585360828 BHCRYZGVKQMPAP-UHFFFAOYSA-N 335.433 1.666 0 40 EDAB C[C@H]1CCN(S(=O)(=O)c2cc(F)c(F)c(C(=O)O)c2)[C@@H]1C(=O)O 1615056188 VOQZIYKLURWWAU-KGFZYKRKSA-N 349.311 1.147 0 40 EDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1ccc2c(c1)CCC2 12211341 MQIRBWHGTJAVOZ-UHFFFAOYSA-N 336.399 1.993 0 40 EDAB Cc1csc2c(=O)n3c(nc12)CCN(C(=O)c1ccnn1C)CC3 12253552 HYHNHCZQXMKJIC-UHFFFAOYSA-N 343.412 1.198 0 40 EDAB O=C(C1CC1)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 13268081 MEIGTXXKVUGSQV-UHFFFAOYSA-N 325.372 1.755 0 40 EDAB COC(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2OC)C1=O 205747073 VGUGPRLSUPKUDB-YRNVUSSQSA-N 337.353 1.913 0 40 EDAB Cc1cn([C@H]2CCN(Cc3ncccc3C)CC[C@@H]2O)c(=O)nc1O 643914179 NMVXCJLZNRRWHY-HOTGVXAUSA-N 344.415 1.159 0 40 EDAB CCS(=O)(=O)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1888863662 MWYUUUWNBGBSDE-UHFFFAOYSA-N 335.433 1.531 0 40 EDAB Cc1cncc(N2CCN(c3nccc(N4CCCC4)n3)CC2)n1 1889077191 DBTFKPNMPPCBPL-UHFFFAOYSA-N 325.420 1.502 0 40 EDAB COC(=O)CCCCCNC(=O)c1ccccc1S(C)(=O)=O 15544375 FWBPUGYOZFFFST-UHFFFAOYSA-N 327.402 1.553 0 40 EDAB COc1cc(N2CCN(C(=O)NC3CCCCC3)CC2=O)ccn1 1776008082 XMGTUCUOZUFUIG-UHFFFAOYSA-N 332.404 1.781 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)n1 2037905630 SSCZTGSOWHNBPY-SFHVURJKSA-N 347.390 1.995 0 40 EDAB O=C(CCc1cncnc1)N1[C@H]2COC[C@H]1CC(OCC1CC1)C2 1565548754 JBHNVZKQHLKAHM-HZPDHXFCSA-N 331.416 1.594 0 40 EDAB COCCn1cnc2c(c1=O)OCCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 1565554980 MPPFGUNGCSJSBA-HDJSIYSDSA-N 349.431 1.437 0 40 EDAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccco1 10251839 IFUAZQDEFSTCKC-UHFFFAOYSA-N 339.286 1.698 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)Nc2nnc([C@H]3CCCO3)o2)cc1 10971380 DLSJIUJJRIMIAD-LLVKDONJSA-N 337.357 1.577 0 40 EDAB c1ccc(CN[C@H]2CCc3onc(CN4CCOCC4)c3C2)nc1 2055730292 VSCDYGCYNLJNHO-AWEZNQCLSA-N 328.416 1.549 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@@H]2NC(=O)c1cc(OC)no1 2055708069 CYHDLDCWGLFMLB-JTQLQIEISA-N 332.360 1.189 0 40 EDAB Cc1nnc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)s1 2086884459 WGIQJCOPZKDVOT-JTQLQIEISA-N 332.376 1.309 0 40 EDAB O=C(Cn1cnc2ccccc21)N1CCC[C@@H](Oc2cccnn2)C1 225451543 NKPITMVZZGSYTK-CQSZACIVSA-N 337.383 1.896 0 40 EDAB CCCc1ccc(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)cc1 575620948 WWOVFYPQXNRRJX-UHFFFAOYSA-N 344.411 1.629 0 40 EDAB CN1CCN(C(=O)c2nnn(-c3ccccc3)c2-c2ccccn2)CC1 585146859 OTFJCFUHMQKDHI-UHFFFAOYSA-N 348.410 1.717 0 40 EDAB O=S(=O)(NC[C@]1(N2CCOCC2)CCSC1)c1ccccc1 30427457 DFRNBDLHFQNKHN-OAHLLOKOSA-N 342.486 1.173 0 40 EDAB Cc1ccc(-c2noc(CS(=O)(=O)CCC(=O)N(C)C)n2)cc1 40528584 VMWUPEJUPYELIK-UHFFFAOYSA-N 337.401 1.438 0 40 EDAB CCOC(=O)C(Cc1cc(OC)c(OC)c(OC)c1)C(=O)OCC 1685569 PYBGZUGFGVDXBA-UHFFFAOYSA-N 340.372 1.997 0 40 EDAB CCn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O 3015696 PQVWVWDMKRVZFF-UHFFFAOYSA-N 329.335 1.207 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(C(=O)OCC)cc1 21179825 BEVIQWLFFMOYMX-UHFFFAOYSA-N 342.417 1.010 0 40 EDAB CCc1cccc(C)c1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O 32689054 YXXNJHWUSDMXRP-UHFFFAOYSA-N 329.356 1.449 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@H]1Cc2ccccc2C(=O)O1 32689978 VVGGQTHRBOBXJE-OAHLLOKOSA-N 325.368 1.546 0 40 EDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 76046192 XRTYUPDCCCYENX-ZDUSSCGKSA-N 346.435 1.679 0 40 EDAB NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3c(c2)CCO3)cc1 32832419 ZIHKNNWUKRQXBI-UHFFFAOYSA-N 346.408 1.340 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1nncn1C 32934591 FTSZAGCZVPUHHN-MRVPVSSYSA-N 334.323 1.873 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2COC)o1 33047228 WKXULYKRMBPRDV-UHFFFAOYSA-N 338.385 1.264 0 40 EDAB COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(F)cc2)cc1 567040 ITKGAPRDCMRJPX-UHFFFAOYSA-N 338.360 1.515 0 40 EDAB CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cc2c(s1)CCOC2 103081383 SEERSZYAXBUIDB-LLVKDONJSA-N 340.470 1.814 0 40 EDAB Nc1nccnc1C(=O)NCc1cccnc1OCc1ccccc1 53515043 AJSZSVIPTXUJJB-UHFFFAOYSA-N 335.367 1.963 0 40 EDAB Cc1cc(C)n(CCCNC(=O)Cn2c(=O)cnc3ccccc32)n1 23246173 VEKSDTRCVHHFIB-UHFFFAOYSA-N 339.399 1.416 0 40 EDAB COc1ccccc1NC(=O)C[C@@H]1SC(N2CCOCC2)=NC1=O 12390546 OYOVEMUKBLFFLT-ZDUSSCGKSA-N 349.412 1.354 0 40 EDAB Cc1ccn2c(=O)cc(CN3C(=O)CN(c4ccccc4)C3=O)nc2c1 47170703 NGUKPFGIINKCMM-UHFFFAOYSA-N 348.362 1.972 0 40 EDAB COc1cc(CNC(=O)Cn2c(C)nc3ccccc3c2=O)ccn1 24439191 FPLARPXASBCLAE-UHFFFAOYSA-N 338.367 1.425 0 40 EDAB CCc1cccc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c1 105889005 DXCYFBQUKKFLAX-QGZVFWFLSA-N 328.416 1.785 0 40 EDAB COc1ccc(-n2ccc(C(=O)N[C@@H]3CCCCNC3=O)n2)cc1 55229977 YKWUXLITJKGZQL-CQSZACIVSA-N 328.372 1.279 0 40 EDAB NS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc(F)cc2)c1 25029499 KUSHNVARSODNNO-UHFFFAOYSA-N 327.308 1.969 0 40 EDAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NCCNc1cnccn1 56497016 IHYAAXNZRHYATN-VOTSOKGWSA-N 334.383 1.904 0 40 EDAB COCCN(CCN(C)C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 84007852 WHFQKHQTXJFWNN-UHFFFAOYSA-N 325.409 1.068 0 40 EDAB CNC(=O)CCCS(=O)(=O)c1nc(CCC2CCCC2)n[nH]1 108592978 GORYZUVUKVOGLQ-UHFFFAOYSA-N 328.438 1.227 0 40 EDAB CN(C)CCCN[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 54095919 ZOKZBSKIZYSIMX-ZDUSSCGKSA-N 327.812 1.663 0 40 EDAB CCNC(=O)C1(NC(=O)c2ccc(N3CCCC3)nn2)CCCCC1 57833444 JHZMFOZKIVJGPA-UHFFFAOYSA-N 345.447 1.646 0 40 EDAB O=C(C1CCCCC1)N1C[C@@H]2OCC(=O)N(Cc3ccccn3)[C@@H]2C1 67897514 WHSBCGWJNSFHFR-SJORKVTESA-N 343.427 1.600 0 40 EDAB biogenic,in-vitro CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H]1CCN(C2CC2)C1 58148780 FDHZNQCUQAFIRE-APWZRJJASA-N 343.471 1.723 0 40 EDAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)CCNC(=O)[C@@H]1C[C@@H]1C 58245384 QKSILMAXTRHYMQ-GXFFZTMASA-N 327.388 1.881 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(-n2cncn2)nc1 44966125 LNBDVNYBVFKARM-UHFFFAOYSA-N 349.416 1.348 0 40 EDAB C=C1c2ccccc2C(=O)N1CC(=O)NCCNC(=O)OC(C)(C)C 58369019 JADCJDZJADQRIV-UHFFFAOYSA-N 345.399 1.754 0 40 EDAB OCCn1nccc1C1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 58381156 ZIQVGJCALIBMGI-GOSISDBHSA-N 333.407 1.928 0 40 EDAB O=C(NCc1noc(-c2ccco2)n1)c1ccnc(-n2cncn2)c1 58412601 NHHCUOOVIMTHSQ-UHFFFAOYSA-N 337.299 1.235 0 40 EDAB O=C(COC(=O)C1(O)CCCCC1)NCc1ccc2c(c1)OCO2 10575487 MXOZWZUMGCBTGU-UHFFFAOYSA-N 335.356 1.270 0 40 EDAB O=C(Cn1nnn(-c2cccs2)c1=O)NCc1ccc(Cl)cc1 10506837 CHXDRPLWBQDCSL-UHFFFAOYSA-N 349.803 1.460 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc3ccc(C)cc3[nH]2)CC1 70038925 VMUSJDNPVHHDCN-MRXNPFEDSA-N 345.443 1.632 0 40 EDAB Cc1ccc2nc(C)cc(C(=O)NC3CCN(CC(N)=O)CC3)c2c1 48285811 KNWZAWSVUAOSBI-UHFFFAOYSA-N 340.427 1.531 0 40 EDAB COc1ccccc1[C@H](NC(=O)c1cnn(C)c1)c1nccn1C 48301005 FQVLCPSJWLYLDX-HNNXBMFYSA-N 325.372 1.682 0 40 EDAB CC(=O)NCC1CCN(C(=O)c2ccc(-n3cncn3)cc2)CC1 48353297 PLLDYLDLRALIID-UHFFFAOYSA-N 327.388 1.256 0 40 EDAB COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)Cc1ccco1 13072183 SJBRBNFIZFWHJH-UHFFFAOYSA-N 325.342 1.807 0 40 EDAB CN(C)S(=O)(=O)c1cccc(Cn2ccnc2-c2cnccn2)c1 69704742 UEELLFFJGSJSHC-UHFFFAOYSA-N 343.412 1.639 0 40 EDAB O=S(=O)(NCCN1CCC[C@H]1Cn1cccn1)c1ccccc1 69740144 DQAAWVWFUGABPO-HNNXBMFYSA-N 334.445 1.326 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCCN2[C@H](C(N)=O)c2ccccc2)n1 69703549 UWBZEWKCYWIRJU-IRXDYDNUSA-N 327.432 1.976 0 40 EDAB CN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3nc(C4CC4)no3)C2)C1=O 89914284 MXRMFLDIZVSTIE-ZBEGNZNMSA-N 333.392 1.099 0 40 EDAB O=C(CNC(=O)c1ccc(F)cc1)OCc1nnc(-c2ccco2)o1 6098256 BJRLKBAPUKMYAT-UHFFFAOYSA-N 345.286 1.942 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cccc3c1O[C@H](C)C(=O)N3)C2 69560331 IYALXOCIJOAMPI-SNVBAGLBSA-N 341.371 1.216 0 40 EDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1C[C@H](C)O[C@H](C)C1 17283169 JYRPFGZPPMBJRL-OWCLPIDISA-N 347.459 1.856 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(Oc3cnccn3)cc2)C1 92068516 HXYWUPPMNQPRBJ-OAHLLOKOSA-N 348.428 1.392 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)NCCN2CCCC[C@@H]2C)cc1 65437007 IRNFOEXXNRMQCA-ZDUSSCGKSA-N 339.461 1.199 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)Cc2csc(-c3ccco3)n2)CC1 69978081 VQCRLHIQMGEIQJ-GFCCVEGCSA-N 335.429 1.471 0 40 EDAB COc1ccc(NC(=O)C(=O)NCCN2C[C@H](C)O[C@H](C)C2)c(C)c1 65593105 YVSXBSRRKIVFEY-OKILXGFUSA-N 349.431 1.168 0 40 EDAB CCc1noc(CN2CCN(Cc3cn4ccccc4n3)CC2)n1 65540386 OXUIZYOJPKJZLN-UHFFFAOYSA-N 326.404 1.598 0 40 EDAB Cc1cc(O)c2c(C)c(CC(=O)NC[C@@H]3CCCO3)c(=O)oc2c1 5348331 FWEDAOYBVHOQFG-LBPRGKRZSA-N 331.368 1.953 0 40 EDAB O=C(NC1CC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 68933667 XDUWVTYYOMFVNJ-KRWDZBQOSA-N 344.436 1.855 0 40 EDAB O=C(Cn1cnc2ccsc2c1=O)Nc1ccc2c(c1)OCCO2 14201289 VXIQVDNJLDKPBQ-UHFFFAOYSA-N 343.364 1.868 0 40 EDAB CCn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2)c1=O 6678849 CWRIXTMXIINANX-UHFFFAOYSA-N 343.408 1.561 0 40 EDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1nc2ccccc2[nH]1 6657657 UDFVSCKUNAOVEF-UHFFFAOYSA-N 341.371 1.756 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)s1 89962741 FVFXWVAZCYKGOT-ZIAGYGMSSA-N 338.429 1.404 0 40 EDAB O=C(COC(=O)c1cc[n+]([O-])cc1)NCC12CC3CC(CC(C3)C1)C2 5936369 FELXKVWQMGVALW-UHFFFAOYSA-N 344.411 1.809 0 40 EDAB COc1ccc(C(=O)NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 75610593 QOBGLLSHFBRDHC-UHFFFAOYSA-N 348.380 1.221 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCCNC(=O)C(C)(C)C 76086773 SWHLHBQJODEKGO-LLVKDONJSA-N 337.468 1.429 0 40 EDAB Cn1cc(C[C@@H]2CCN(S(=O)(=O)c3c[nH]c4ncccc34)C2)cn1 80784213 AGLFZXIFLNXGCI-LBPRGKRZSA-N 345.428 1.550 0 40 EDAB Cc1c([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)oc2ccc(F)cc12 76065661 WNXJHIJHWYKXQE-SECBINFHSA-N 345.334 1.448 0 40 EDAB O=C(NCCCn1ccnn1)NCc1cc(=O)[nH]c2ccccc12 96010969 DNPMRZOUZCMMMV-UHFFFAOYSA-N 326.360 1.009 0 40 EDAB CC(C)(C)CCN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 84169804 WCFVDQVOYDZYTJ-HNNXBMFYSA-N 332.510 1.939 0 40 EDAB Cc1ccc(-c2snnc2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 72240020 WTQDHNBLYSZHHV-LLVKDONJSA-N 337.426 1.430 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(N3CCCC3)nc1)C2 72288385 PAHKHXGXXIISFL-HNNXBMFYSA-N 325.416 1.932 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2csc(-c3nc[nH]n3)n2)cn1 72255019 AYQZUBWOXBSKDJ-NSHDSACASA-N 329.389 1.639 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1cnc2ccccc2n1 72283889 NXSCQJLYNAEGCZ-UHFFFAOYSA-N 348.366 1.513 0 40 EDAB O=C(CCc1nc(-c2nc[nH]n2)no1)NC[C@@H]1C[C@H]1c1ccccc1 96405488 INXAPTLUNIJQHA-STQMWFEESA-N 338.371 1.707 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 9595680 NWDDPPGJRMUBBY-HNNXBMFYSA-N 342.399 1.499 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCC(CN3CCOCC3)CC2)cn1 71830656 LVDMBIWDJLYYKQ-IAGOWNOFSA-N 332.448 1.094 0 40 EDAB CN(CC(N)=O)C(=O)c1nc(NCc2ccccc2)ncc1Cl 71820900 KXVUNJKDSFAWAH-UHFFFAOYSA-N 333.779 1.299 0 40 EDAB COC(=O)[C@@H](CC(C)C)OC(=O)CCS(=O)(=O)C1CCCC1 71913714 VPYDBLFLJKLIRW-CYBMUJFWSA-N 334.434 1.865 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1)n1cncn1 78901704 WBZFFYTXWKAMJL-VHSXEESVSA-N 342.325 1.987 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)c1ncnc2c1cnn2CCO 97199979 JKPXTQNDSVJLJU-UHFFFAOYSA-N 341.371 1.226 0 40 EDAB O=C(CC1(N2CCOCC2)CCCC1)N[C@@H](CO)c1ccccc1 97233046 KCLLTEBBXKKKPB-KRWDZBQOSA-N 332.444 1.871 0 40 EDAB CCc1noc([C@@H](C)N2CCN(C[C@@H](O)Cc3ccccc3)CC2)n1 95360778 ZPNYRZOXEKDLLW-WBVHZDCISA-N 344.459 1.914 0 40 EDAB Cn1c(CCNC(=O)CS(=O)(=O)C(C)(C)C)nc2ccccc21 95453438 FSHCLVMDAKIPID-UHFFFAOYSA-N 337.445 1.445 0 40 EDAB O=C(N[C@H]1c2ncnn2CC[C@]12CCN(C(=O)C1CC1)C2)C1CCC1 306141114 VLQNQVWIGWBSHD-KSSFIOAISA-N 343.431 1.268 0 40 EDAB CN1C[C@@H](NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)CCC1=O 73860617 JZALUJIYPWMPKW-WFASDCNBSA-N 343.349 1.617 0 40 EDAB CCO[C@@H]1C[C@@H](NCCN2CCCS2(=O)=O)C12CCCCC2 95988034 MFHUJTBANCTQJI-HUUCEWRRSA-N 330.494 1.739 0 40 EDAB COc1ccc(Cc2nnnn2Cc2nnc(C(C)C)o2)cc1F 95965675 CJVAEHIWFPXTFS-UHFFFAOYSA-N 332.339 1.966 0 40 EDAB Cc1c(C(=O)N(C)Cc2ccco2)cnn1[C@@H]1CCS(=O)(=O)C1 95950126 DIWCRIUCDQOURA-GFCCVEGCSA-N 337.401 1.416 0 40 EDAB Cc1nc(CN2CCN(CCc3ccc4c(c3)CCO4)CC2)n[nH]1 95987393 NRWSYXFJQAIAQJ-UHFFFAOYSA-N 327.432 1.408 0 40 EDAB O=S(=O)(c1cncc(F)c1)N(CCO)[C@@H]1CCc2ccccc21 95972880 DIJUUGKRYQZFAY-MRXNPFEDSA-N 336.388 1.891 0 40 EDAB CCn1ccnc(N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c1=O 95990009 ZSFOMMPGNFPABW-INIZCTEOSA-N 340.427 1.909 0 40 EDAB O=C(CN1CCN(C(=O)Cc2cccc3cccnc23)CC1)C1CC1 75141262 JKOUIRTUNAHROJ-UHFFFAOYSA-N 337.423 1.901 0 40 EDAB CC(C)N(C)S(=O)(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 60844649 FQCLWQDRFNCQGE-CYBMUJFWSA-N 337.449 1.845 0 40 EDAB C[C@H]1CC[C@H](NC(=O)Cc2cncn2C)CN1C(=O)c1ccns1 1018278856 WLASLCRYADVBAI-RYUDHWBXSA-N 347.444 1.229 0 40 EDAB COC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218193524 KDGARTSPQVYESW-AGIUHOORSA-N 348.262 1.551 0 40 EDAB CC(C)[C@@H](Sc1nnnn1C1CCCC1)C(=O)N1CCOCC1 73823015 SGMDECGVWJVSGR-CYBMUJFWSA-N 339.465 1.764 0 40 EDAB C[C@H](N)C(=O)N(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 79393200 YIFNTHKOAWQHBC-HOCLYGCPSA-N 345.443 1.983 0 40 EDAB Cc1cc(=O)n(CC(=O)NCc2csc(-c3ccccc3)n2)cn1 70655557 AZNCZMJYXIFDFI-UHFFFAOYSA-N 340.408 1.992 0 40 EDAB COC[C@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(OC)cc1 218077834 IGMUKPZMNJZQIQ-SGMGOOAPSA-N 329.443 1.125 0 40 EDAB CN(C)C(=O)CN1CCC[C@@H](c2cc(C(=O)NC3CCCC3)[nH]n2)C1 72380481 AXKRSGXCJXISKA-CYBMUJFWSA-N 347.463 1.350 0 40 EDAB Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCCN3)nc2n(C)c1=O 72354420 ULFFTEDOELGQDV-SECBINFHSA-N 342.321 1.466 0 40 EDAB CCn1c2ccccc2n2c(=O)n(CC(=O)NCc3ccco3)nc12 72347027 JNXDTJWBRPQQQZ-UHFFFAOYSA-N 339.355 1.380 0 40 EDAB CCc1cc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)on1 72390416 XDOYJOWKQAJCRI-UHFFFAOYSA-N 349.412 1.625 0 40 EDAB Cc1cc(C)nc(N2CCC(c3[nH]ncc3S(C)(=O)=O)CC2)n1 72369156 IKMABQDWABFJMK-UHFFFAOYSA-N 335.433 1.604 0 40 EDAB CN1C[C@@H](NC(=O)C2(c3ccccc3Cl)CCOCC2)CC1=O 78656122 DZGURJQMRYDKHH-LBPRGKRZSA-N 336.819 1.735 0 40 EDAB CC(C)[C@H](C(=O)NCCc1n[nH]c(-c2ccco2)n1)N1CCCC1=O 78912161 DAXNZZLTPNUBPT-OAHLLOKOSA-N 345.403 1.370 0 40 EDAB O=c1cc2c(nn1CN1CCN(Cc3ccccc3)CC1)CCCC2 72403860 QMRPUEDLCUYVJV-UHFFFAOYSA-N 338.455 1.897 0 40 EDAB Cc1cccc(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)c1 211102246 PUWFXMVGRBBOJX-UHFFFAOYSA-N 348.428 1.100 0 40 EDAB NC(=S)n1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O 40396662 BAISOGSBYVXHAW-UHFFFAOYSA-N 339.355 1.942 0 40 EDAB O=c1cc([C@@H]2CCN(Cc3ccncc3)C2)nc(N2CCCC2)[nH]1 72394665 ODMMFOBTKVRYEB-OAHLLOKOSA-N 325.416 1.755 0 40 EDAB C[C@@H](Oc1ccccc1Br)C(=O)N1CCS(=O)CC1 79001090 JQCHKLXXMMNVSF-SNVBAGLBSA-N 346.246 1.807 0 40 EDAB C[C@@H](CN(C)C(=O)Cc1ccc(-n2cccn2)cc1)c1nnn[nH]1 183434947 ISEHIILBOBRFRW-LBPRGKRZSA-N 325.376 1.190 0 40 EDAB COc1ccccc1OCc1cn(CC(=O)Nc2ccncc2)nn1 227167467 XZADWKYMDVBTCW-UHFFFAOYSA-N 339.355 1.899 0 40 EDAB Cc1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)c(Cl)c1 191785543 SVYBZBGPFSWGKC-UHFFFAOYSA-N 330.837 1.109 0 40 EDAB O=C(NCCc1c[nH]c2ncccc12)N1CCO[C@@]2(CCCOC2)C1 570305123 HDLNULFPEZXTKU-SFHVURJKSA-N 344.415 1.696 0 40 EDAB CO[C@@H](CS(=O)(=O)N1CCCC[C@H]1C(=O)O)c1ccc(F)cc1 530139507 JOVNGQPWHQBKRH-KBPBESRZSA-N 345.392 1.782 0 40 EDAB CS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H](C2CC2)C(F)(F)F)CC1 573284872 NHGBPCUIFKNBMI-GHMZBOCLSA-N 342.383 1.936 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CC[C@@H](Oc2cccnn2)C1 225416302 GRUCZPJBKJTPEX-GFCCVEGCSA-N 327.340 1.541 0 40 EDAB c1ccc(Cn2ccnc2SCc2nc(-c3nc[nH]n3)no2)nc1 195576546 BCNLQXPHVRAISQ-UHFFFAOYSA-N 340.372 1.787 0 40 EDAB O=C1CN(Cc2ccco2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 96836405 JEZRKQQYUXLFQO-HZPDHXFCSA-N 346.408 1.294 0 40 EDAB Cc1nc(CN2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@@H]32)cs1 96064745 SGQBQMWZHROLSE-KKUMJFAQSA-N 337.445 1.042 0 40 EDAB c1cnn(C[C@@H]2CC[C@@]3(COCCN(Cc4ccncc4)C3)O2)c1 96052385 GAVPJAWJWCZCDH-ZWKOTPCHSA-N 328.416 1.728 0 40 EDAB COc1ccc(Br)c(C(=O)NC[C@@]2(O)CCOC2)c1 178946419 MAFQIALOXCVLIY-ZDUSSCGKSA-N 330.178 1.339 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1F)c1cc(-n2cccn2)ccn1 96445851 ABRHSTUSUIZWSE-MRXNPFEDSA-N 326.331 1.870 0 40 EDAB C[C@H]1C[C@H](N(C)CCNS(C)(=O)=O)CCN1Cc1ccccc1 96414937 XOMJIRFCRRGFOH-DOTOQJQBSA-N 339.505 1.521 0 40 EDAB C[C@H]1CN(C(=O)[C@H]2CCOC2)C[C@@]12CCN(c1cccnc1)C2=O 96201763 JZRUKGSHKXPNNW-DEYYWGMASA-N 329.400 1.320 0 40 EDAB O=C([C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]12)N1CCCO1 96064496 NJIUAFWDLTWFRE-DJIMGWMZSA-N 334.391 1.684 0 40 EDAB CN(C)CCOCc1nnc2n1CCN(Cc1ccsc1)CC2 96058865 ZHDFBSMYGKMQJE-UHFFFAOYSA-N 335.477 1.476 0 40 EDAB Fc1cnc(N2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1 96063388 WTRWUKJKXSTUBW-HOCLYGCPSA-N 333.367 1.267 0 40 EDAB CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3nccs3)CC[C@@H]21 96185697 NUFDSYXQHSSPCC-PMPSAXMXSA-N 345.472 1.851 0 40 EDAB CC(C)C(=O)N1CCN(Cc2ccoc2)C[C@@]2(CC(=O)N(C)C2)C1 96036049 NQHVDZYTGACZPV-SFHVURJKSA-N 333.432 1.428 0 40 EDAB CN(C)CC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn21 248107773 JEMGILADTYIJTI-OAHLLOKOSA-N 342.399 1.761 0 40 EDAB O=C([C@H]1CCCO1)N1CCOC[C@@]2(CCN(Cc3ccco3)C2)C1 247943155 QHRFWIMKLXQDEJ-SJLPKXTDSA-N 334.416 1.510 0 40 EDAB O=C([C@H]1CN(CC2CCOCC2)Cc2ccnn21)N1CCCCO1 247876816 UCIJGEXVMVOZJE-MRXNPFEDSA-N 334.420 1.220 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)CCCn2cccn2)C1 257320465 VWYCZBPGRBPVLO-HNNXBMFYSA-N 342.447 1.976 0 40 EDAB O=C(Cn1nnc2ccccc21)N[C@H]1CCCN(c2ccccn2)C1 257226435 FKPGFSVPKJLEQP-AWEZNQCLSA-N 336.399 1.612 0 40 EDAB CCOC(=O)c1cnc(N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)nc1C 585092444 WXOCLFCOOSVEPR-LSDHHAIUSA-N 348.447 1.873 0 40 EDAB C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(F)c(F)c(F)c1F 585089894 DJRDMTPCWKOLSE-MRVPVSSYSA-N 347.312 1.435 0 40 EDAB CCc1nccn1CCC(=O)N1CCO[C@H](c2nc(C)cc(O)n2)C1 257265941 MAYYNISXGVHHMR-ZDUSSCGKSA-N 345.403 1.240 0 40 EDAB Cc1ccnc([C@@H]2CCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)c1 585141857 HCBXYOHVLGSTBA-CQSZACIVSA-N 334.445 1.919 0 40 EDAB CN(C)Cc1cnc(CC2CCN(Cc3cncnc3)CC2)cn1 257315218 VAKQUOYZBVAXKP-UHFFFAOYSA-N 326.448 1.783 0 40 EDAB Cc1nccn1CC(=O)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257325396 WSTWKUIUZWGDPZ-AWEZNQCLSA-N 340.387 1.694 0 40 EDAB Cc1cc(O)nc([C@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1 257273141 NFKYKXLSSVERBT-CYBMUJFWSA-N 341.433 1.526 0 40 EDAB O=C(CCn1ncc2ccccc21)N1CCO[C@@H](c2cnccn2)C1 257223730 DYPYZJSBGSIGCO-QGZVFWFLSA-N 337.383 1.817 0 40 EDAB CCOc1nccn2c(CNC(=O)c3ccc(C(C)=O)cc3)nnc12 253473468 VFNCZKONTNLEEX-UHFFFAOYSA-N 339.355 1.656 0 40 EDAB O=C(CC1CC1)N1CC[C@](O)(CN2CCN(c3ccccc3)CC2)C1 257264775 LVZMRJPAHYXDNG-FQEVSTJZSA-N 343.471 1.572 0 40 EDAB Cn1nc(C(=O)N2CCO[C@@H](c3cnccn3)C2)cc1C(F)(F)F 257302485 SDCIJYOBJKBCSX-LLVKDONJSA-N 341.293 1.443 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1CC1(O)CCOCC1 257344195 ZWDFZXUNGPGOCC-KRWDZBQOSA-N 348.443 1.442 0 40 EDAB Cc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2nccnc2N)C1 257318245 VNBWUOWFFPCXGT-LLVKDONJSA-N 331.376 1.692 0 40 EDAB Nc1nccnc1C(=O)N1CCC(Cc2ccccc2C(=O)O)CC1 263135438 WFLSZXRRTTWZCA-UHFFFAOYSA-N 340.383 1.852 0 40 EDAB CCOc1ccccc1NC(=O)C(=O)NC[C@]1(OC)CCSC1 96103350 PUYXSIXRGSOXOR-MRXNPFEDSA-N 338.429 1.662 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 575403075 CPLWHJJVQCAPGB-NSHDSACASA-N 330.381 1.183 0 40 EDAB COc1cccc(C(=O)NCCn2cnc(C3CC3)cc2=O)c1OC 575413778 OCORSBWIFRGZKC-UHFFFAOYSA-N 343.383 1.568 0 40 EDAB Cn1ccnc1CN1CCOC[C@@](O)(COc2ccc(F)cc2)C1 585269008 HFJYCHSOQLEDDF-QGZVFWFLSA-N 335.379 1.202 0 40 EDAB CNc1nc([C@H]2CCN(CC(C)C)C2)nc2c1CCN(C(C)=O)C2 585260968 KRPUBWCPLIVJHY-AWEZNQCLSA-N 331.464 1.868 0 40 EDAB COCCNC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)c1occc1C)CC2 585096258 CYBJSGWAVVWBJA-GFCCVEGCSA-N 346.387 1.378 0 40 EDAB CN(C)C(=O)[C@@H]1COC2(CCN(C(=O)Cc3ccc(F)cn3)CC2)C1 585101170 KXSRUJASXOKRFU-ZDUSSCGKSA-N 349.406 1.249 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(C(=O)C3CC(F)C3)C[C@@H]2O1 585108656 RFRHMIARRCDICH-YGFJBANPSA-N 347.390 1.774 0 40 EDAB CCn1nc(C2CC2)cc1C(=O)N1CCC[C@]1(COC)CC(N)=O 585278214 NJDIDSVWDOIODG-QGZVFWFLSA-N 334.420 1.277 0 40 EDAB Cn1ccc(CC(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2)n1 585098161 VHTNEKGKJDWMBC-MRXNPFEDSA-N 342.447 1.056 0 40 EDAB CO[C@@H]1COC[C@@H](CNCc2cnn(-c3ccc(F)cc3)c2)[C@@H]1O 585287376 ZMQSQTBXTHUDIZ-XYPHTWIQSA-N 335.379 1.123 0 40 EDAB Cc1cc(N2CCC[C@@H](NS(C)(=O)=O)C2)ncc1Br 131387122 QHYYRYAVUACRHO-SNVBAGLBSA-N 348.266 1.671 0 40 EDAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(O)CC1 43302471 FMVGMUXFQWXDPH-CQSZACIVSA-N 333.432 1.307 0 40 EDAB Cc1ccccc1OCC(=O)NCC1(OCCO)CCSCC1 828765365 KOEGOLOHHIKHLU-UHFFFAOYSA-N 339.457 1.765 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)[C@H]3CC(=O)N(CC4CC4)C3)cc12 46190166 HAXUKRMTNIMHGF-LBPRGKRZSA-N 327.388 1.474 0 40 EDAB CCN1CCCN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)CC1 69619469 JRHMBRHLRNNMJV-UHFFFAOYSA-N 336.432 1.809 0 40 EDAB CCc1nc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)sc1C 69628565 NDPKFUPKFHGTPV-ZDUSSCGKSA-N 348.476 1.956 0 40 EDAB CCOc1ccc(C2(CNC(=O)[C@@H]3CCC(=O)N3)CCOCC2)cc1 64312979 OCKWLNQXMLACRS-INIZCTEOSA-N 346.427 1.528 0 40 EDAB CCCc1nc(C[S@@](=O)CC(=O)NCc2ccccc2C)no1 64824624 RCRFWGZDSRXDLM-QHCPKHFHSA-N 335.429 1.896 0 40 EDAB Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N1CCNC(=O)CC1 72274211 OURNNWPFXKQVJN-UHFFFAOYSA-N 345.378 1.351 0 40 EDAB Cn1c(=O)c2c(ncn2CCNc2cccc3cc[nH]c23)n(C)c1=O 547489113 GCWYHYOTDBCHBB-UHFFFAOYSA-N 338.371 1.027 0 40 EDAB CN(C[C@@H]1CCc2ccccc21)C(=O)c1cccn(CC(=O)O)c1=O 1615002635 DEZPBKPEFXTMCS-AWEZNQCLSA-N 340.379 1.735 0 40 EDAB CCCCS(=O)(=O)NC(=O)CN1CCC[C@@H](C(F)(F)F)C1=O 1615058667 UMOONQXLAYEAPG-SECBINFHSA-N 344.355 1.033 0 40 EDAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 110012651 LDHNMIZCPRNASW-WCQYABFASA-N 336.388 1.712 0 40 EDAB COCCC(=O)N1CCC[C@H](c2nc(O)cc(-c3ccncc3)n2)C1 12256900 AHRTWVUNPHGNMU-AWEZNQCLSA-N 342.399 1.987 0 40 EDAB CCn1cc(CN(C)S(=O)(=O)c2cc(OC)ccc2OC)cn1 14226924 VSIBZGYTKVXVPE-UHFFFAOYSA-N 339.417 1.741 0 40 EDAB Cc1nc(C)c(C(=O)N2CCC[C@@H](NC(=O)c3cnccn3)CC2)o1 19749059 NGLMKBLRDIFCFR-CYBMUJFWSA-N 343.387 1.506 0 40 EDAB CSC[C@](C)(O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 227663561 SDZNWBZZIVXOQP-GLQYFDAESA-N 349.518 1.415 0 40 EDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)C5CCCC5)C[C@H]4C3)ncnc21 1888865696 MYRYMNAIJZZHIM-ZIAGYGMSSA-N 340.431 1.448 0 40 EDAB FC(F)(F)c1cc(OC2CN(c3ccc4nncn4n3)C2)ccn1 1888869805 YDXPIJVACUPSHT-UHFFFAOYSA-N 336.277 1.806 0 40 EDAB Cc1cc(-c2ccnn2C(C)C)nc([C@@H]2CCN(S(C)(=O)=O)C2)n1 1848355337 NLQSBKNVRWWIBJ-CYBMUJFWSA-N 349.460 1.978 0 40 EDAB O=S(=O)(NCCCn1cncn1)c1cc(Cl)cc(Cl)c1 40515893 MJFXOFUVWBRCDN-UHFFFAOYSA-N 335.216 1.954 0 40 EDAB O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCc1ccncc1 13808155 CTABFKAEIHLBBN-UHFFFAOYSA-N 338.342 1.761 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccc(OC)c2)O1 2055759401 UXQZQMSWLQKWNC-KURKYZTESA-N 348.443 1.580 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1Cc1cn(Cc2ccc(F)cc2)nn1 2298050211 DFQKHDPRWDXNSK-UHFFFAOYSA-N 343.362 1.830 0 40 EDAB COCCN[C@@H](CC(=O)Nc1ccc(Br)cc1)C(=O)O 10186506 ASJMLQBQYMBSIK-NSHDSACASA-N 345.193 1.467 0 40 EDAB COc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)c(OC)c1 2624817 GGYJQCOHQXUMDR-UHFFFAOYSA-N 326.308 1.840 0 40 EDAB COc1ccc(N[C@H](C(N)=O)c2ccccc2)cc1NS(C)(=O)=O 30026613 BEZGRXIXLIZDIP-HNNXBMFYSA-N 349.412 1.705 0 40 EDAB Cc1n[nH]c2c1[C@H](c1ccccc1OCC(=O)O)C1=C(COC1=O)N2 20086338 JRSNHGCAJGAJGJ-AWEZNQCLSA-N 341.323 1.550 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@@H]1COc2ccccc2O1 31048026 WXNPXNPKAHZNGR-TZMCWYRMSA-N 342.399 1.937 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)CC[C@H]1Cc2ccccc2NC1=O 31398250 XBGRTDJTKHQDRH-HIFRSBDPSA-N 326.400 1.979 0 40 EDAB C[C@H](C(=O)NCc1ccnc(OCc2ccccc2)c1)S(C)(=O)=O 40540961 NJKRQUONIXHLGD-CYBMUJFWSA-N 348.424 1.710 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccccc2OC[C@H]2CCCO2)CC1 70019144 TZEYVXKITOIEKC-HZPDHXFCSA-N 348.443 1.383 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCN(CC(=O)N2CCCC2)CC1 51234415 JXZMMRMPVYBUSK-CYBMUJFWSA-N 333.436 1.248 0 40 EDAB COCCCCNC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 69655703 GEGRLUBKFYGLEC-OAHLLOKOSA-N 337.439 1.879 0 40 EDAB CC(C)NC(=O)C1CCN(c2ccc3nnc(C(C)C)n3n2)CC1 20723780 SQZYLBWNRMDFNN-UHFFFAOYSA-N 330.436 1.989 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(N)=O 4186276 AFBWSRMGNGDPQF-QJPTWQEYSA-N 327.425 1.402 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)ccc2c1=O 32477468 RBPPUSYQRDAGJW-VXGBXAGGSA-N 345.399 1.520 0 40 EDAB Cn1c(CCc2ccccc2)nnc1SCC(=O)N1CCOCC1 366531 KQYWJYRZWUDMQS-UHFFFAOYSA-N 346.456 1.551 0 40 EDAB Cc1cnc(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cn1 32666483 KPPYSALVNPFFRL-UHFFFAOYSA-N 342.380 1.929 0 40 EDAB Cc1nc([C@@H]2CCCN2CC(=O)/N=c2\cc[nH]n2[C@@H](C)C2CC2)no1 102097107 ODQNURFOEQAPFW-MIKTVYPCSA-N 344.419 1.743 0 40 EDAB CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)N2 102145434 GLPYTIAFBKFKGI-OAHLLOKOSA-N 338.367 1.727 0 40 EDAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCO)o2)c1 7540545 FHMDOONASQCIRJ-UHFFFAOYSA-N 333.340 1.602 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1C 7939666 FHXCHGPMRWLCHB-DTWJZALFSA-N 343.379 1.983 0 40 EDAB Cc1cc(=O)n2ncnc2n1C[C@H](O)COCc1ccccc1Cl 32788663 TWJOJGAUFUBLGZ-ZDUSSCGKSA-N 348.790 1.431 0 40 EDAB COc1ccccc1[C@H](CNC(=O)[C@H](C)OC)NC(=O)[C@@H](C)OC 75610962 VTQDBPLVAMFNLU-SCRDCRAPSA-N 338.404 1.039 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)CCOCc3ccccc3)CCO2)n1 76045008 JPQRPYHZNSEVRV-OAHLLOKOSA-N 330.388 1.620 0 40 EDAB Cc1nc2ccc(I)cc2c(=O)n1CCO 487828 KDZGSUBGEHQCFE-UHFFFAOYSA-N 330.125 1.302 0 40 EDAB biogenic CCOC(=O)C1=NN[C@@]2(CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 545685 ZBUVMNZDPDKXCH-QGZVFWFLSA-N 329.356 1.218 0 40 EDAB Cc1nc(-c2ncn[nH]2)sc1C(=O)NCc1cccnc1N(C)C 69457984 ZIGFZYOOTLYNMS-UHFFFAOYSA-N 343.416 1.628 0 40 EDAB C[C@H](C(=O)OCC(=O)NC(N)=O)N1CCC(Cc2ccccc2)CC1 69669661 POWQCILFLHXWDE-CYBMUJFWSA-N 347.415 1.068 0 40 EDAB CC(=O)N1CCN(CCNC(=O)c2cc(-c3ccccc3)on2)CC1 46824072 RYHQLSXYMIWOEA-UHFFFAOYSA-N 342.399 1.236 0 40 EDAB Cc1ccc(C)c(NC(=O)N2CCC(NS(C)(=O)=O)CC2)c1 69413805 DVQKVCVWXCHQLI-UHFFFAOYSA-N 325.434 1.849 0 40 EDAB O=C1CCCN1[C@@H]1CN(C(=O)Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 107204022 NPINTQBXVDQBLW-MDZRGWNJSA-N 346.402 1.749 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)c1ccn(-c2ccc(F)cc2)n1 47151935 QXZLDBHLOYJPOG-CYBMUJFWSA-N 332.379 1.462 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@H](n2ccnc2)C1 69620163 HLXQQFYWMNOMGE-AWEZNQCLSA-N 337.383 1.457 0 40 EDAB COC(=O)[C@@H](C)N1CCN(CCOc2ccc(Cl)cc2)CC1 54115533 SJIZYUAKIOSMIH-CYBMUJFWSA-N 326.824 1.898 0 40 EDAB NC(=O)Cn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1 23350505 MUOYPGUXGFPKEZ-UHFFFAOYSA-N 345.428 1.049 0 40 EDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C)Cn1ccnc1 42534832 PIGVKEPDIRXUHQ-TZMCWYRMSA-N 334.445 1.904 0 40 EDAB CS(=O)(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 108532596 XRMPEEMSUKDAJU-UHFFFAOYSA-N 337.445 1.246 0 40 EDAB CCc1nnsc1C(=O)Nc1ccccc1NS(C)(=O)=O 12521361 GEIUROOOCBLQBR-UHFFFAOYSA-N 326.403 1.724 0 40 EDAB O=C(c1ccc(N2CCOC2=O)cc1)N1CCC2(CC1)OCCO2 43013753 QAOYJJBPWAUXOM-UHFFFAOYSA-N 332.356 1.622 0 40 EDAB Cc1csc(CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)n1 24683611 YMRAFIKHERZQAW-UHFFFAOYSA-N 326.381 1.927 0 40 EDAB C[C@H]1CN(C(=O)CCNC(=O)c2ccc(F)cc2F)C[C@H](C)O1 25130904 RLBMWBOOJMZLFH-QWRGUYRKSA-N 326.343 1.721 0 40 EDAB CN(CCOc1ccccc1F)C(=O)c1cnc2ccccn2c1=O 25250503 WHQBLRZHBHQMLO-UHFFFAOYSA-N 341.342 1.985 0 40 EDAB O=C(C1CCC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 25382207 TYWBZDFATXXJTB-INIZCTEOSA-N 330.384 1.297 0 40 EDAB COc1ccc(NC(=O)C2(NS(C)(=O)=O)CCCCC2)cn1 57192273 TZRPAJUWELHMEP-UHFFFAOYSA-N 327.406 1.281 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2nc3ccccc3o2)C1 48164258 WGAJPLNCMAWMQJ-OLZOCXBDSA-N 348.424 1.969 0 40 EDAB CN(C)CC(C)(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 44597775 AVYDGHLWEPQIMY-CQSZACIVSA-N 335.448 1.836 0 40 EDAB COC(=O)N1CCC(NC(=O)NCc2ccc3c(c2)OCO3)CC1 60035591 GWGZGJLUIVNBMV-UHFFFAOYSA-N 335.360 1.445 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3ccc(N4CCCC4)nc3)CCO2)n1 76046682 WBHAGSKWQJEAPY-AWEZNQCLSA-N 342.403 1.322 0 40 EDAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN(c2ncccn2)CC1 58169872 CGTOOMONXCQDFP-OAHLLOKOSA-N 337.427 1.576 0 40 EDAB CC(=O)NCCC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 58179473 HUZNQJPMCZKBBP-UHFFFAOYSA-N 328.416 1.994 0 40 EDAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCNC(=O)C1 58172371 XOBZITBUHIBNGX-OAHLLOKOSA-N 337.423 1.713 0 40 EDAB O=C(CCNc1ncccn1)NCc1cccnc1N1CCCCC1 58281690 DUBGQPGMHFBQLK-UHFFFAOYSA-N 340.431 1.980 0 40 EDAB O=C(NCCn1nc2ccccn2c1=O)c1cccc2cccnc12 58280817 CQDLDFQZRHQLSO-UHFFFAOYSA-N 333.351 1.474 0 40 EDAB CN(CC(=O)Nc1cccc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 44910057 KDMXWBLZKKSNQQ-AWEZNQCLSA-N 336.457 1.623 0 40 EDAB CC(C)N(CCCNC(=O)N[C@H](C)c1ccccn1)S(C)(=O)=O 44950008 NCPLEACTWHBRHK-CYBMUJFWSA-N 342.465 1.502 0 40 EDAB COc1ccc(-c2noc(=O)n2CC(=O)NC2CCCC2)cc1OC 58355171 YXUFIGOXQOCFGR-UHFFFAOYSA-N 347.371 1.579 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNC1CCN(c3ncccn3)CC1)CN2 58432792 HJGUYJSJFYMMET-AWEZNQCLSA-N 327.436 1.282 0 40 EDAB COCCN1C[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)CC1=O 45265539 JOKRRNJGUDURPJ-GOSISDBHSA-N 344.455 1.963 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)Cn1nc(-c2cccs2)oc1=O 48263431 GEOFIDVWBGDEMU-NSHDSACASA-N 337.401 1.450 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCc3ccccc32)cc1 48331415 IPQTYJWKFROHFH-INIZCTEOSA-N 345.424 1.821 0 40 EDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCc4ccccc43)cnc21 12822124 PSDWYRMYVWSOFI-UHFFFAOYSA-N 336.351 1.308 0 40 EDAB COC(=O)c1cnc(NC(=O)c2cccc(S(C)(=O)=O)c2)s1 12940427 JNLAARXXYYGNIO-UHFFFAOYSA-N 340.382 1.586 0 40 EDAB CSc1nc(C(=O)N2CCCC[C@H]2CC(N)=O)c2ccccn12 69566763 RAISBPLQQBZYSI-NSHDSACASA-N 332.429 1.926 0 40 EDAB O=C(CSc1nnnn1CC(F)(F)F)NCc1ccccn1 69780209 HAIOSRLMWNPXCI-UHFFFAOYSA-N 332.311 1.039 0 40 EDAB O=C(NC[C@H](NC(=O)[C@@H]1CCOC1)C1CCCCC1)[C@@H]1CCOC1 69703694 YCASUSKHTXTWET-OAGGEKHMSA-N 338.448 1.241 0 40 EDAB Cc1ccc(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1C 13541077 MKNYMLDLJFGWBI-UHFFFAOYSA-N 337.383 1.601 0 40 EDAB CCCn1c(SCCNS(C)(=O)=O)nnc1-c1ccncc1 69975559 DQQXYHIFFCTXLB-UHFFFAOYSA-N 341.462 1.391 0 40 EDAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N1CCNC1=O 6101426 PDTHSAHAMFMLRU-UHFFFAOYSA-N 342.138 1.141 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)[C@H](C)N2CCCCCC2)cc1 78725525 AWOKYXDKQVVOIH-HNNXBMFYSA-N 347.459 1.692 0 40 EDAB O=C(c1ccco1)N1CCN(Cc2nc(O)c3sccc3n2)CC1 14180450 ANCRHMGRRRKVEJ-UHFFFAOYSA-N 344.396 1.948 0 40 EDAB CC(C)CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 14135509 TZYJEBTYNYWTKZ-UHFFFAOYSA-N 334.445 1.446 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@@H](n2cccn2)C1 65614895 NIFOMUJCGSJTDS-OAHLLOKOSA-N 337.387 1.400 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)N1CCn2c1nc1ccccc12 6662429 KCUIKIXFVLPUNO-LBPRGKRZSA-N 329.404 1.871 0 40 EDAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)NCc1ccc2c(c1)OCO2 5780072 BXZHDZDLWSOPPL-LLVKDONJSA-N 332.381 1.846 0 40 EDAB COC(=O)C1=NN[C@]2(C)C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]12 4897918 ISVZPONKNMOQDX-BONVTDFDSA-N 335.747 1.029 0 40 EDAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccc(OC)cc2)C1 7461594 QUOCCRGYMMEYKQ-GOEBONIOSA-N 348.443 1.975 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2Cl)CC1 7848751 BWYBQQPYFQKRQM-GFCCVEGCSA-N 342.848 1.423 0 40 EDAB Cc1nc(CN2C(=O)N[C@](C)(c3cccc(C(N)=O)c3)C2=O)cs1 68921856 WRBGKSZTHMOOKG-MRXNPFEDSA-N 344.396 1.518 0 40 EDAB O=C(CCCc1nc(-c2ccccc2)no1)N1CCN(CCO)CC1 75572225 DYKOHTYWBOODMT-UHFFFAOYSA-N 344.415 1.196 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)c(OC)c1 8217643 ZDTIJBLSKUFQDD-LBPRGKRZSA-N 344.367 1.966 0 40 EDAB COC(=O)c1ccc(OC[C@@H](O)CNCc2cccnc2)c(OC)c1 8232847 OCAQKQUMFGTYFQ-HNNXBMFYSA-N 346.383 1.406 0 40 EDAB COC(=O)C1=C(C)N(C(C)C)C(=O)[C@@]1(NC(=O)C1CC1)C(F)(F)F 9340807 SJVMAGAVUCXBRW-CQSZACIVSA-N 348.321 1.511 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@H]2c2cnn(C)c2)C1=O 71797022 CHEBDYYQUZXIMW-ZDUSSCGKSA-N 347.419 1.194 0 40 EDAB NS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 71897886 GZFKPRJRWUFAEV-BDAKNGLRSA-N 337.228 1.502 0 40 EDAB CNC(=O)c1c(C)cccc1NC(=O)[C@@H](C)S(=O)(=O)C(C)C 71903565 SMCPKRXCLCNSSN-LLVKDONJSA-N 326.418 1.505 0 40 EDAB COC1CCN(S(=O)(=O)c2cnn(-c3ccc(C)cc3)c2)CC1 71914117 RBFRHOPJPPHNAR-UHFFFAOYSA-N 335.429 1.980 0 40 EDAB CC(C)c1ncc2c(n1)CN(CC(=O)N(C)Cc1cnn(C)c1)CC2 72268514 QNICYUGBJLOCCJ-UHFFFAOYSA-N 342.447 1.350 0 40 EDAB O=S(=O)(Cc1cccc2cccnc12)N1CCN2CCC[C@@H]2C1 72287560 MSGXAJJNFOVVBI-MRXNPFEDSA-N 331.441 1.845 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)c1ccnc(N2CCN(C)CC2)c1 72281060 NENBDDMIWDJQLA-ZDUSSCGKSA-N 342.447 1.366 0 40 EDAB CC(=O)N1CCC[C@@H](S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1 72287954 LGWWZGHQAJZUCX-ZIAGYGMSSA-N 326.418 1.757 0 40 EDAB C[C@@H](O)CN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)C[C@H]1C 72279641 HGCZKSVUDJNBOP-CHWSQXEVSA-N 334.395 1.763 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)Cn2nc(-n3ccnc3)ccc2=O)c1 97000705 QIFSKHOLRLXANS-HNNXBMFYSA-N 340.383 1.486 0 40 EDAB CC(C)(C)c1ccc(O)c(NC(=O)CN2CCCS2(=O)=O)c1 95351108 GXDPNYNRUZUUSE-UHFFFAOYSA-N 326.418 1.664 0 40 EDAB O=C(NCc1cccc(Cl)c1)NCC1CCS(=O)(=O)CC1 95440212 VGMRXWQKEBIBLQ-UHFFFAOYSA-N 330.837 1.964 0 40 EDAB O=C(c1ccnc(OCC(F)F)c1)N1CCC(n2ccnn2)CC1 95979277 JUJVOXXKULWPAX-UHFFFAOYSA-N 337.330 1.794 0 40 EDAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)CO 95998607 LXELOSOLKLVEFW-HNNXBMFYSA-N 333.363 1.520 0 40 EDAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(CC2OCCO2)CC1 95992418 KECKHQMSSICPGF-UHFFFAOYSA-N 344.333 1.836 0 40 EDAB Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)N1CCC[C@H]1C(N)=O 89544356 HBNLKYNTOBOBLB-HNNXBMFYSA-N 346.818 1.983 0 40 EDAB Cc1cc(CS(=O)(=O)Nc2ccc(NC(=O)C3CC3)nc2)no1 89604982 PTFAKHCOHLWNIG-UHFFFAOYSA-N 336.373 1.668 0 40 EDAB O=C(Cc1ccc(F)cc1F)N1CCN(C(=O)c2ccncc2)CC1 89769595 ISGIHCKXCKKZGK-UHFFFAOYSA-N 345.349 1.887 0 40 EDAB CCc1oncc1C(=O)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306123831 AYAFYJKSAKIREB-CYBMUJFWSA-N 343.383 1.942 0 40 EDAB Cc1cc2c(C)c(CN3CCOCC3)c(=O)oc2c2c1CNCC2 20411864 CHUOYQUPWVPHLV-UHFFFAOYSA-N 328.412 1.888 0 40 EDAB biogenic CN(C)S(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccco2)cc1 20033624 ASJJKFCCMBSHKU-JXMROGBWSA-N 334.397 1.860 0 40 EDAB C[C@H](CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)N(C)C 33093809 SVXHKMOUONNYFD-CQSZACIVSA-N 344.415 1.002 0 40 EDAB CC1(c2nc(-c3ncn(CC(N)=O)n3)no2)CCC(F)(F)CC1 528124194 NERXNMNAMQKOJV-UHFFFAOYSA-N 326.307 1.280 0 40 EDAB Cc1nc(CCC(N)=O)cc([C@H]2CCCN2Cc2cn(C)nc2C)n1 72367179 BVQLSLKVNQNDHP-QGZVFWFLSA-N 342.447 1.582 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 38836414 ZUHCRPRNEJLFQO-UHFFFAOYSA-N 342.399 1.846 0 40 EDAB CCNC(=O)Nc1ccc([C@H]2OCC(=O)N(CC(C)C)[C@@H]2CO)cc1 72321124 KSYMAFYBDUYAKB-NVXWUHKLSA-N 349.431 1.745 0 40 EDAB biogenic,in-vitro COC[C@@H](NC(=O)N1CCC[C@H]1c1nncn1C)c1ccc(C)o1 152468213 UKCGYSQQOLQQOI-OLZOCXBDSA-N 333.392 1.951 0 40 EDAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccon1 70640172 XTOANEUQPXLHSX-SNVBAGLBSA-N 343.261 1.482 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@H](O)Cc2ccccc2)cc1 70639320 PSHAOWXWIFHNPU-OAHLLOKOSA-N 335.425 1.967 0 40 EDAB O=C(O)c1ccc(N2CCC[C@@H](NC(=O)N3CCOCC3)C2)cc1 558273256 KUZZVMNYRUHBAD-CQSZACIVSA-N 333.388 1.395 0 40 EDAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)NC2CCCC2)n1 72339968 IOJBGXVSMYIMSF-ZDUSSCGKSA-N 343.431 1.880 0 40 EDAB COc1ccccc1N1C[C@H](C(=O)NCCN2CCCCC2)CC1=O 39918168 SXFHHJRJXXGNKM-OAHLLOKOSA-N 345.443 1.650 0 40 EDAB Cc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NS(=O)(=O)c1ccccc1 72321578 UZZZESHBNQLBTB-BRSBDYLESA-N 347.436 1.551 0 40 EDAB biogenic,in-vitro CS(=O)(=O)N1CCN(c2c(Cl)ccc3sc(N)nc23)CC1 72230186 MFLMTMCURFCKBL-UHFFFAOYSA-N 346.865 1.614 0 40 EDAB Cc1ccnn1CCNC(=O)c1cc(-c2ccccc2)nc2ncnn12 36619495 KADBGHHTLIPEAS-UHFFFAOYSA-N 347.382 1.726 0 40 EDAB CCc1ccc(/C=C2/SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc1 35648390 IJKDBYOZWNOADC-WBOGTDJTSA-N 337.422 1.896 0 40 EDAB COc1ccc(OC)c([C@H](C)NC(=O)c2nn(C)cc2C(=O)O)c1 36615402 NXEQKTLZLZTTOK-VIFPVBQESA-N 333.344 1.627 0 40 EDAB Cc1csc(=O)n1CCN1CCN(C2=NC[C@H](C)S2)CC1 79497227 QECMJQKCGUSHQL-LBPRGKRZSA-N 326.491 1.327 0 40 EDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(Cc2cccs2)CC1 135499766 UBYXKJZFWLWICD-JSGCOSHPSA-N 330.475 1.373 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)CN2CCCC[C@@H]2CCO)cc1 78776806 UTLRBEQPRZLFDO-CQSZACIVSA-N 340.445 1.266 0 40 EDAB COC(=O)C[C@@H](NC(=O)c1cncc(Br)c1)C1CC1 84822225 VXBWZIXIHBCESH-LLVKDONJSA-N 327.178 1.916 0 40 EDAB COc1ccc(O[C@H]2CCN(C(=O)COCc3ccccc3)C2)nn1 225439406 DUOKBXZUJYFZCJ-HNNXBMFYSA-N 343.383 1.682 0 40 EDAB CN(c1cccnn1)C1CCN(C(=O)CCc2ccnn2C)CC1 330011235 IQKXDIVKJXLHJH-UHFFFAOYSA-N 328.420 1.270 0 40 EDAB C[C@H]1Cc2ccccc2[C@H]1NCCNS(=O)(=O)Cc1ccon1 95423622 OFHVRCLNGQVSFD-LRDDRELGSA-N 335.429 1.617 0 40 EDAB Cc1csc(N2CCN(C(=O)Nc3cccn(C)c3=O)CC2)n1 96435141 AKGPJXYUUIKIJY-UHFFFAOYSA-N 333.417 1.504 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 96107680 MHOCLLAJDHVHNQ-NHYWBVRUSA-N 342.392 1.325 0 40 EDAB COC[C@@H]1CN(S(=O)(=O)c2ccccc2C)Cc2cncn2C1 96207997 RPUCSDAMWWTUQZ-AWEZNQCLSA-N 335.429 1.659 0 40 EDAB O=C(c1cnoc1)N1CC[C@H]2[C@H](Cc3nnc(C4CC4)o3)OC[C@H]2C1 96209147 FQAJJFPPSWBJMX-MCIONIFRSA-N 344.371 1.655 0 40 EDAB CCN1CCC[C@H]1CNC(=O)c1c(-n2cnnn2)sc2c1CCC2 583652557 HSMBWEGLABNISP-NSHDSACASA-N 346.460 1.427 0 40 EDAB C[C@H](NC(=O)NCCC1Cc2ccccc2C1)[C@H]1CN(C)CCO1 96484982 INRZMYGEIPYBHE-KBXCAEBGSA-N 331.460 1.810 0 40 EDAB Cc1ccccc1CCNC(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 583614742 XBTJFXNDJOHBRF-OTWHNJEPSA-N 346.471 1.516 0 40 EDAB CCOCc1ncn2c1CN(S(=O)(=O)c1ccc(C)cc1)CC2 96260165 VKDJIBFDEBMDLR-UHFFFAOYSA-N 335.429 1.933 0 40 EDAB CCn1ccnc1[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(C(N)=O)C1 579910312 QUIYMVKNNLNMMR-KGLIPLIRSA-N 333.436 1.747 0 40 EDAB O=C(c1cnccn1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1 96189110 TVWGZYUOMXSAJY-AWEZNQCLSA-N 327.388 1.372 0 40 EDAB c1coc(CN2CCOC[C@]3(CC[C@H](CN4CCOCC4)O3)C2)c1 96052349 XOQYEXILRLOIFL-MSOLQXFVSA-N 336.432 1.362 0 40 EDAB CCn1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cn1 96425820 CNDJYPRIRJMODY-JTQLQIEISA-N 339.392 1.937 0 40 EDAB CCNC(=O)NC[C@H]1COCc2nc3cc(C(=O)OC)ccc3n21 96112515 BZAOEMWIXPRZHQ-NSHDSACASA-N 332.360 1.213 0 40 EDAB biogenic,in-vitro Cc1cnnn1Cc1nnn2c1CN(Cc1cccs1)CCC2 96259562 GQDYULOSOQUWFT-UHFFFAOYSA-N 329.433 1.694 0 40 EDAB O=C([C@H]1CCCO1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96228226 MKLKLSRPMBEUNJ-MRXNPFEDSA-N 343.427 1.744 0 40 EDAB CCn1nc(C)c(S(=O)(=O)NCCc2ccn(C(C)C)n2)c1C 96428138 UGOZJWLXAWYDNO-UHFFFAOYSA-N 339.465 1.818 0 40 EDAB O=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)c3ccco3)CC2)N1 96199923 UJOFHRBYAWHCFH-AWEZNQCLSA-N 325.368 1.953 0 40 EDAB C[C@@H]1C(=O)NCCCN1C(=O)c1cc(N(C)C)c2ccccc2n1 581460372 MJBIDZIDXJWSPJ-GFCCVEGCSA-N 326.400 1.651 0 40 EDAB Cc1nc(CN2C[C@@H]3CCN(c4cncnc4)C(=O)[C@H]3C2)cs1 96082074 CBUANXWMCAOJAV-WFASDCNBSA-N 329.429 1.726 0 40 EDAB CCn1ccc(NC(=O)c2ccccc2OCc2nnnn2C)n1 96101364 FZOWRFSIBKEKCT-UHFFFAOYSA-N 327.348 1.258 0 40 EDAB O=S(=O)(NCCc1ccccn1)c1cnn(-c2ccccc2F)c1 96427609 UOKDVWLZEVVTTN-UHFFFAOYSA-N 346.387 1.927 0 40 EDAB CNC(=O)C[C@@H]1CN(CCOCc2ccccc2)Cc2ccnn21 247942909 JCDXKWQLEJQFJU-QGZVFWFLSA-N 328.416 1.593 0 40 EDAB Cc1cccc(CN2Cc3ccnn3[C@@H](CN3CCCC3=O)C2)n1 247872025 LLALBMWEWHTURM-QGZVFWFLSA-N 325.416 1.766 0 40 EDAB COc1cc(C=O)ccc1OCCC(=O)N[C@H](CN(C)C)C(C)C 584908731 UMOVHXCGKKZLCU-OAHLLOKOSA-N 336.432 1.979 0 40 EDAB COc1cc(CO)ccc1C(=O)N1CCC[C@H](CN2CCOCC2)C1 585129600 PAMBAQVDXODUHV-MRXNPFEDSA-N 348.443 1.372 0 40 EDAB COc1ccc(-c2nccnc2NC(=O)CS(=O)(=O)C(C)C)cc1 585124479 FHGSTIQRQWWLNV-UHFFFAOYSA-N 349.412 1.914 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)no1 257215702 CRGWYZGYVUXTMH-SNVBAGLBSA-N 338.389 1.129 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)CCc3cccnc3)CCO2)ncn1 257331601 XTOCVOFXNANEKE-SFHVURJKSA-N 340.427 1.973 0 40 EDAB CCN(C)S(=O)(=O)N1Cc2ccccc2C[C@H]1c1nnc(C)o1 252486747 MUANCACETMCXPM-AWEZNQCLSA-N 336.417 1.674 0 40 EDAB CN(C(=O)c1cnn2cccnc12)[C@H]1CCCN(c2ccccn2)C1 257263260 LPAVQAQDNHJCPK-AWEZNQCLSA-N 336.399 1.865 0 40 EDAB Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1c[nH]nn1 281248838 POPWRROHSAYZEL-QWRGUYRKSA-N 338.412 1.254 0 40 EDAB O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1O 36378911 PHAPESVEHHOBEI-AYCBFJCHSA-N 340.416 1.611 0 40 EDAB biogenic COC(=O)C1(N(C)S(=O)(=O)c2cc(C)c(C)s2)CC(OC)C1 1615585538 IYCBITKDQJWSFQ-UHFFFAOYSA-N 347.458 1.706 0 40 EDAB CCOC(=O)c1nc(=NCCNC(=O)OCc2ccccc2)cc[nH]1 1615585920 OAAAPKZKDOQXMM-UHFFFAOYSA-N 344.371 1.414 0 40 EDAB N#Cc1cccc(S(=O)(=O)N2CCC([C@H](O)c3ncc[nH]3)CC2)c1 390835323 KTWSYHFPPQHRJY-HNNXBMFYSA-N 346.412 1.416 0 40 EDAB Cc1cnc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CN2CCCC2)cn1 585094896 SPWJJDGTHUSNLE-CQSZACIVSA-N 340.431 1.181 0 40 EDAB CC(C)c1nccn1CC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 585140967 NIBDTBYQFNAUAK-HNNXBMFYSA-N 332.448 1.771 0 40 EDAB CC(=O)N1CCC(N2CCO[C@@](CO)(Cc3ccccc3C)C2)CC1 585278789 VHCIYYLJHFAUIP-FQEVSTJZSA-N 346.471 1.612 0 40 EDAB CN(C)C[C@H]1CCn2nccc2CN1C(=O)Cc1ccc(F)cc1 585097205 IRWDLNRZVMTQEQ-MRXNPFEDSA-N 330.407 1.927 0 40 EDAB CN1CC[C@H](C(=O)NCc2ccc(CN3CCCC3)cc2)CC1=O 44334895 CQULWUCYJHJIEG-KRWDZBQOSA-N 329.444 1.767 0 40 EDAB Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)ccc1-n1cnnn1 43802713 KIEKSWLHEKGJIT-UHFFFAOYSA-N 335.327 1.393 0 40 EDAB CCCn1c(=O)c2ccccc2n(Cc2nc(C3CC3)no2)c1=O 823024277 LGSGAQMVSBDETN-UHFFFAOYSA-N 326.356 1.882 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)NCc1ccc(-n2cncn2)nc1 44941674 ATBLMRNETFIBCH-VIFPVBQESA-N 329.282 1.246 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@@H]1CC(=O)N(C)C1)O[C@@H](C)C2 44911830 INHMRFJJUGLEQH-SMDDNHRTSA-N 332.400 1.503 0 40 EDAB O=C(COc1ccccc1F)NCC1(OCCO)CCSCC1 828765461 RHXQYRQLFWNREK-UHFFFAOYSA-N 343.420 1.595 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)Nc1ccc(Cn2cccn2)cc1 69187424 DOOLMXAVRMBRDV-OAHLLOKOSA-N 343.431 1.774 0 40 EDAB O=C(C[S@@](=O)Cc1nnnn1C1CC1)N1CCCc2ccccc21 69520213 PACIAPMMGOHKRF-XMMPIXPASA-N 345.428 1.236 0 40 EDAB CC(=O)N(C)c1nc(CN2CCC[C@H]2Cn2nc(C)nc2C)cs1 69534712 UYJDQXDUZASXOB-HNNXBMFYSA-N 348.476 1.999 0 40 EDAB CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN(CC(F)F)CC1 69509179 MFLXNXRXMURUJX-NEPJUHHUSA-N 349.447 1.343 0 40 EDAB CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCC[C@H](CO)C1 69816797 JBIYDXFEZNWBSZ-INIZCTEOSA-N 333.432 1.449 0 40 EDAB O[C@H]1[C@H](NC2CCC(F)(F)CC2)[C@H]2CO[C@H](O2)[C@@H]1n1cccn1 952844961 WTFKJMXCRNGCMR-XGFWRYKXSA-N 329.347 1.076 0 40 EDAB biogenic,in-vitro COc1ccccc1N1CCN(c2nccn(C3CC3)c2=O)CC1 302016868 MAQVNVXXQUXLHQ-UHFFFAOYSA-N 326.400 1.913 0 40 EDAB CC(=O)Nc1ncc(S(=O)(=O)NC(=O)c2ccccc2)s1 96191009 QRSQCHAMGNNKHE-UHFFFAOYSA-N 325.371 1.220 0 40 EDAB O=C(c1ccc(=O)n(-c2ccccc2F)c1)N1CCN2CC[C@H]1C2 1614653529 MMWGMUYLSHCYEM-AWEZNQCLSA-N 327.359 1.507 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2nccnc2N)cc1 5040406 UKFSAEYGHAJCHK-SNVBAGLBSA-N 328.328 1.445 0 40 EDAB CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5173854 HQPBSDQPACIOMY-UHFFFAOYSA-N 328.409 1.751 0 40 EDAB COc1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1S(N)(=O)=O 11105703 DLAMAKUDGRKMHI-LLVKDONJSA-N 327.358 1.011 0 40 EDAB Cc1sc2nc(C)n(C3CCN(CCC(N)=O)CC3)c(=O)c2c1C 12145430 BMHKADODZZUBRA-UHFFFAOYSA-N 348.472 1.896 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CCCC(C)(C)C2)C1 19932179 HHPNTMAKLGZMJZ-ZDUSSCGKSA-N 331.482 1.153 0 40 EDAB CCOC(=O)C1CCN(C(=O)COc2ccccc2NC(C)=O)CC1 6064185 CURGIBBMFMGPSM-UHFFFAOYSA-N 348.399 1.826 0 40 EDAB O=C([C@@H]1CN(c2cc(C(F)(F)F)ncn2)CCO1)N1CCCCC1 1888835043 IZPPYJYHSNWEFE-NSHDSACASA-N 344.337 1.713 0 40 EDAB O=C([C@H]1CN(Cc2cc(F)ccc2F)CCO1)N1CCOCC1 1889119610 DUFZUKVPAMSFLV-OAHLLOKOSA-N 326.343 1.024 0 40 EDAB Cc1nc(CCNC(=O)C[C@H](NC(N)=O)c2ccccc2)cs1 29613440 SMMDCSKSTRZIFV-AWEZNQCLSA-N 332.429 1.910 0 40 EDAB CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)C1(F)CC1)CC2 1614928710 HEZJOFMGXRYBSC-INIZCTEOSA-N 325.428 1.424 0 40 EDAB CO[C@H]1CCN(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 1565523211 HYCGBWLGFRRFQQ-HNNXBMFYSA-N 332.400 1.741 0 40 EDAB O=C(N1CCOC[C@@]2(C[C@H](Cn3ccnc3)CO2)C1)C1(F)CCC1 1565547069 KALPUBDCDMNMCY-GDBMZVCRSA-N 337.395 1.409 0 40 EDAB Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)O 4148139 GXMDTVUYBCDIHD-UHFFFAOYSA-N 336.398 1.417 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1F)N1C(=O)c2ccccc2S1(=O)=O 4940706 MUIGFJRBJWBOLG-JTQLQIEISA-N 348.355 1.997 0 40 EDAB COc1cccc(C(=O)NCCS(=O)(=O)N2CCCCCC2)c1 5272922 GQTRNDATKDNSFX-UHFFFAOYSA-N 340.445 1.631 0 40 EDAB O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NC[C@H]1CCCO1 13807958 CLUSHXQTBIFHLL-CQSZACIVSA-N 331.347 1.345 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)N2CCCC2)C1 2055746316 NTMLZTFFHHUSLP-NUEKZKHPSA-N 347.415 1.591 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2ccccc2C)C1 2055772015 RCQUBCXYCCEASP-GOSISDBHSA-N 326.400 1.569 0 40 EDAB COc1ccc(C[C@](C)(O)CNC(=O)C(=O)Nc2ccccc2)cc1 75155577 LHIYCNLLJXLEPS-IBGZPJMESA-N 342.395 1.744 0 40 EDAB Nc1nc(Cl)cc(N2CCN(C(=O)c3ccccc3F)CC2)n1 40497795 VQKGTLBXFRYDKD-UHFFFAOYSA-N 335.770 1.814 0 40 EDAB COC(=O)c1c(SCC(=O)NC2CCCCC2)nc(=O)[nH]c1C 31618284 ORCLDJXRGODJHT-UHFFFAOYSA-N 339.417 1.406 0 40 EDAB CCOc1ncccc1C(=O)NCc1cccc(S(=O)(=O)NC)c1 31748874 GWZVPCSJWYNLCB-UHFFFAOYSA-N 349.412 1.318 0 40 EDAB CC(=O)[C@H](NC(=O)Cn1cnc2ccc(Cl)cc2c1=O)C(C)C 31740897 BEGAUXGQBKQILG-OAHLLOKOSA-N 335.791 1.780 0 40 EDAB O=C1NCCCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2)CC1 45665776 TVZAGWFOKHSMQS-HNNXBMFYSA-N 334.395 1.326 0 40 EDAB COc1ccc(C)cc1NC(=O)CCn1cnc2c(cnn2C)c1=O 11427652 WIFLOFKDGLHTQT-UHFFFAOYSA-N 341.371 1.476 0 40 EDAB NC(=O)C1CCC(NS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 69699533 XCNKXQGRGJJXGE-UHFFFAOYSA-N 334.800 1.802 0 40 EDAB O=C(Cn1ccccc1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 45827099 KHCIPUIMQDTRJH-HNNXBMFYSA-N 340.379 1.983 0 40 EDAB O=C1OCCN1CCOC(=O)C(O)(c1ccccc1)c1ccccc1 29276318 GSHPDFAYXHIDPO-UHFFFAOYSA-N 341.363 1.918 0 40 EDAB COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(OC)c(OC)c1 223148 CQGXEXDVPWYEDB-UHFFFAOYSA-N 347.367 1.847 0 40 EDAB CCOC(=O)C(C(=O)OCC)[C@@H](c1ccccc1)S(=O)(=O)O 1621955 PSQZPQOTAWWWFW-GFCCVEGCSA-N 330.358 1.358 0 40 EDAB CCOC(=O)CNC(=O)CSc1nnnn1-c1ccc(C)c(C)c1 4231356 PYIVOBTZWITADV-UHFFFAOYSA-N 349.416 1.051 0 40 EDAB COC(=O)C1(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)CCCCC1 32453402 BZCJYAJOOJZFHK-CQSZACIVSA-N 346.431 1.685 0 40 EDAB O=C(CN1C(=O)CNC1=O)NCc1ccc(-c2ccc(Cl)cc2)o1 32716879 JXQUNFYDAPKTQT-UHFFFAOYSA-N 347.758 1.768 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCC2)cc1 56668026 RFPHPWQVIMYLGV-GFCCVEGCSA-N 326.418 1.375 0 40 EDAB COc1ccc(CNC(=O)C(=O)NCc2ccccc2OC)cc1 9913976 HOGSCKFMSCJILW-UHFFFAOYSA-N 328.368 1.636 0 40 EDAB CCNc1nc(C(=O)NCCc2n[nH]c(-c3ccco3)n2)cs1 89977956 IANJOEBNBYYERS-UHFFFAOYSA-N 332.389 1.926 0 40 EDAB CC(C)(C)NC(=O)CN1CCCN(CCOc2ccccc2)CC1 53143032 FMXCUAYCLHXYFH-UHFFFAOYSA-N 333.476 1.988 0 40 EDAB O=C(NCCCn1cncn1)c1cc(F)cc(Br)c1 46785642 IRRQYMBWXZWMCU-UHFFFAOYSA-N 327.157 2.000 0 40 EDAB CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCNC(=O)C3)c12 46738014 LTVRGDHLDZEXBK-UHFFFAOYSA-N 328.372 1.796 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)NCc2cccc(S(N)(=O)=O)c2)C1 47033479 WGTWCZIVULDRQO-VXGBXAGGSA-N 325.434 1.522 0 40 EDAB COc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2C)c1 12449733 VLMVXLBKIQKXIK-UHFFFAOYSA-N 332.356 1.821 0 40 EDAB O=C(NCCCOCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 47595729 JICYWIJAGOWDKF-CQSZACIVSA-N 326.418 1.080 0 40 EDAB O[C@H](COC[C@@H]1CCCO1)CN1CCN(c2ccc(F)cc2)CC1 23624362 VNJZFNLEGRFFSN-ROUUACIJSA-N 338.423 1.504 0 40 EDAB CCCNC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 113968339 XSEIFXMCFQUEMK-UHFFFAOYSA-N 328.434 1.768 0 40 EDAB O=C(Nc1c[nH]ccc1=O)c1ccc(CN2C(=O)CCC2=O)cc1 47929683 YKXNEMFQQODXEX-UHFFFAOYSA-N 325.324 1.276 0 40 EDAB Cc1cc(NC[C@@H](C)N2CCOCC2)n2nc(C(F)(F)F)nc2n1 25567698 HGVBWBVVCVZKMQ-SNVBAGLBSA-N 344.341 1.584 0 40 EDAB C[C@H]1CCCCN1CCNC(=O)N1CCC(C(=O)NC2CC2)CC1 56864862 ZYHGVWXQDBZAMY-AWEZNQCLSA-N 336.480 1.561 0 40 EDAB Cc1c(C(=O)N2CCCOCC2)nnn1-c1cccc2cnccc12 75607288 IFERPQJZKCWFMG-UHFFFAOYSA-N 337.383 1.986 0 40 EDAB CN(C)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)cn1 58066272 XNBOFMFXMKNRBQ-MRXNPFEDSA-N 338.411 1.679 0 40 EDAB Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c2ccccc2n1 58210097 JVJCLHKMXRONLO-ZDUSSCGKSA-N 327.384 1.520 0 40 EDAB CCOCCO[C@@H](C)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 58325969 AXXWSJIWJGVYRW-AWEZNQCLSA-N 349.431 1.244 0 40 EDAB Cn1cc(CC(=O)Nc2nc(CC(N)=O)cs2)c2ccccc21 58419167 OIQNJUYEUIUNQR-UHFFFAOYSA-N 328.397 1.844 0 40 EDAB O=C(Nc1ccnc2ccnn12)C1CCN(C(=O)c2ccoc2)CC1 76640189 IMWGSGQUBXELJK-UHFFFAOYSA-N 339.355 1.813 0 40 EDAB CCNC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408600799 CMIJHNXLXJUION-UHFFFAOYSA-N 340.445 1.622 0 40 EDAB NC(=O)NCc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1 12879626 OOVOOOXNWGDAPU-UHFFFAOYSA-N 342.403 1.103 0 40 EDAB NC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(N2CCCCCC2)c1 81688439 OJIGPZFRPKUFTL-HNNXBMFYSA-N 345.447 1.621 0 40 EDAB COC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 408604828 ILZQHMFRQAARCP-LLVKDONJSA-N 348.852 1.566 0 40 EDAB O=C(COC(=O)c1ccco1)Nc1ccc(N2CCOCC2)cc1 3514628 XGLBXZGFILDLNR-UHFFFAOYSA-N 330.340 1.912 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(C[C@H](O)COc3ccccc3)CCO2)n1 69368573 FSPJTVFNKISBIA-HKUYNNGSSA-N 345.443 1.641 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 49030467 ZTMGIUVJTHOCOV-CYBMUJFWSA-N 348.447 1.539 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 69370417 ODYZPBQIQYREEZ-KGLIPLIRSA-N 347.463 1.637 0 40 EDAB Nc1nccnc1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 63702962 DQCJTVXFKYSWID-OAHLLOKOSA-N 325.416 1.701 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(C)o2)NC(=O)N[C@]1(O)C(F)(F)F 4142367 UWOHORAGMGQHGO-YGOYTEALSA-N 336.266 1.372 0 40 EDAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)NC(C)(C)C 17013661 MLNKIUSKVCNKOJ-SECBINFHSA-N 332.356 1.372 0 40 EDAB CCc1nc(CN2CCC[C@H](Nc3ncnc4c3cnn4C)C2)no1 69418309 LCIPZMQHSFCYAQ-NSHDSACASA-N 342.407 1.385 0 40 EDAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCS(=O)(=O)C2)cc1 39996348 MQOUWQWXOIFECL-YPMHNXCESA-N 339.413 1.554 0 40 EDAB CNC(=O)NC(=O)COC(=O)c1csc(NCc2ccccc2)n1 6373524 LVPLWJVDRJTEJU-UHFFFAOYSA-N 348.384 1.368 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 65423875 PWEAJQUOUACIEE-STQMWFEESA-N 343.449 1.324 0 40 EDAB O=C(NCCCN1CCCCCC1=O)c1ccc(-n2cncn2)cc1 65417328 WTWICQFNOXVONG-UHFFFAOYSA-N 341.415 1.790 0 40 EDAB CCc1ncncc1C(=O)NCCNC(=O)Cc1ccc(F)cc1 65415438 AYWLNHWMWWWFEV-UHFFFAOYSA-N 330.363 1.267 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCCNC(=O)Cc1ccccc1 65512380 PPBQOIVHFVBKGE-UHFFFAOYSA-N 329.448 1.243 0 40 EDAB NC(=O)[C@@H]1CN(c2nc(-c3ccccc3)c3ccccc3n2)CCN1 14142065 OXGAMONYLISTJQ-INIZCTEOSA-N 333.395 1.560 0 40 EDAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(N)cc(N)n2)c1 6533192 NSKCKUQBBFJTIM-VIFPVBQESA-N 331.401 1.963 0 40 EDAB CCn1nc(C(=O)OCC(=O)N2CCCC2)c2ccccc2c1=O 6544068 VABHPDJTIMBOSI-UHFFFAOYSA-N 329.356 1.196 0 40 EDAB CN(C(=O)COc1cccnc1[C@H](O)NCCCO)c1ccccc1 69973319 AWZPSYDHYXMPNO-SFHVURJKSA-N 345.399 1.086 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1COCC(=O)N1Cc1ccccc1 70641346 REMGSXQAUCCMLH-INIZCTEOSA-N 325.368 1.125 0 40 EDAB Cc1cc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)on1 7191369 WFTRKLWKCZCFMB-AWEZNQCLSA-N 343.383 1.877 0 40 EDAB O=C(Cc1cn2ccsc2n1)NCC1CCC2(CC1)OCCO2 80869168 KDQRSNQNBWLEIR-UHFFFAOYSA-N 335.429 1.988 0 40 EDAB CN1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1 19313532 ZJMJEIFCGONJEY-ZDUSSCGKSA-N 342.226 1.873 0 40 EDAB O=S(=O)(N[C@H](CO)c1ccco1)c1ccc(C(F)(F)F)nc1 96007724 KRMXONYHLHTOIN-SECBINFHSA-N 336.291 1.705 0 40 EDAB O=C([C@@H]1CCCN(c2ncnc3[nH]cnc23)C1)N1CCCCCC1 9418725 BQLBVSCYVIRBTP-CYBMUJFWSA-N 328.420 1.972 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1nccn1CC(F)(F)F 71908268 CZFBDYKIZVFWQN-VXGBXAGGSA-N 348.369 1.561 0 40 EDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269316 XRIXBJURQSLWEH-HUUCEWRRSA-N 330.388 1.341 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@]1(C)Cc3ccccc3C(=O)O1)C2 72278898 IFNQYPOVBYMEIH-KUHUBIRLSA-N 339.395 1.794 0 40 EDAB O=C1C[C@H](C(=O)Nc2nc(-c3ccc4c(c3)CCC4)n[nH]2)CCN1 97021298 JXOYSXFLKQTIAB-CYBMUJFWSA-N 325.372 1.425 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(C)C[C@H]3CN)c12 97019737 SNYBIAPXYFALQG-GFCCVEGCSA-N 329.404 1.124 0 40 EDAB Cn1nnc2cc(C(=O)OCCN3CCCc4ccccc43)cnc21 97079910 XTNLESXZSGHNCB-UHFFFAOYSA-N 337.383 1.973 0 40 EDAB CN(CCNC(=O)NCc1cccc(C(=O)N2CCCC2)c1)C1CC1 97001875 FNWSYIQWFBRZDZ-UHFFFAOYSA-N 344.459 1.816 0 40 EDAB CN(Cc1ccccc1)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 78518569 WHRBAIYDOQURNW-MRXNPFEDSA-N 332.448 1.415 0 40 EDAB Cc1noc(Cl)c1CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 78789609 XEIXPDSWEFZEAU-CHWSQXEVSA-N 327.812 1.237 0 40 EDAB Cc1cccc(NC[C@@H]2CCN(CC(=O)Nc3nncs3)C2)n1 97200941 CZDRDKYWNVWHSW-LBPRGKRZSA-N 332.433 1.614 0 40 EDAB CC(C)C(=O)N1CC[C@@H](NCc2ccc(OCC(N)=O)cc2)[C@H](C)C1 78897773 KYGBCSIBCFMRPM-RHSMWYFYSA-N 347.459 1.533 0 40 EDAB NS(=O)(=O)CCNC(=O)CCCc1cc(Cl)sc1Cl 84334994 UXESQRQOVPZHHV-UHFFFAOYSA-N 345.273 1.782 0 40 EDAB O=S(=O)(NCCCCn1cnnc1)N1CCC[C@H]1c1ccco1 84432400 HSPZECAAZSLARA-ZDUSSCGKSA-N 339.421 1.323 0 40 EDAB O=C(c1nccc2ccccc12)N1CCN([C@@H]2CCC[C@H]2O)CC1 84598724 VJKLMFPTFCVLIG-IAGOWNOFSA-N 325.412 1.906 0 40 EDAB COc1cc(Br)c(CNCc2nncn2C)cc1OC 97731755 HEMJREBJMOXAKD-UHFFFAOYSA-N 341.209 1.885 0 40 EDAB CCN1CCC(N(C(=O)[C@H](C)S(=O)(=O)C(C)C)C2CC2)CC1 79039606 LESBXNQBXXTMBX-ZDUSSCGKSA-N 330.494 1.673 0 40 EDAB Cc1cccc(Cn2nccc2NC(=O)C(=O)NCc2cccnc2)c1 95440884 ACPURQWWUIYBRQ-UHFFFAOYSA-N 349.394 1.890 0 40 EDAB CCOc1nnc(CN2CC[C@H](N(C)Cc3ncc(C)o3)C2)s1 84811044 JTVLRCYSEDVMTE-LBPRGKRZSA-N 337.449 1.940 0 40 EDAB Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(=O)n(C)n2)cc1 98014146 LKXLZJVBYZLRQQ-YJBOKZPZSA-N 341.411 1.986 0 40 EDAB CS[C@@H]1CCC[C@@H]1N(C)C(=O)CN1CCN(c2ccccn2)CC1 74195247 PZRNQSVYCLQQFD-JKSUJKDBSA-N 348.516 1.946 0 40 EDAB Nc1ccnc(COc2ccc(C(=O)NCC(F)(F)F)cc2)n1 95977981 XLLHFYPXYRBASN-UHFFFAOYSA-N 326.278 1.930 0 40 EDAB Cc1cnn(-c2cccc(N[C@@H](C(=O)N3CCOCC3)C(C)C)n2)c1 95978575 PLZFSOIHZADGRH-QGZVFWFLSA-N 343.431 1.871 0 40 EDAB NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 89768384 FGISDXPXHLAVKN-VHSXEESVSA-N 337.228 1.502 0 40 EDAB COc1ccc([C@@H](CC(=O)NCCO)c2oc(C)cc(=O)c2O)cc1 1547139629 WFTPMAUBFAIREB-CQSZACIVSA-N 347.367 1.293 0 40 EDAB biogenic Cn1nccc1C(=O)N1CC[C@]2(Cc3ncc(-c4cccnc4)n3C2)C1 306127369 FWVFXIAOSDHEEF-IBGZPJMESA-N 348.410 1.767 0 40 EDAB O=C(NCc1nccs1)N1CCC(OCCN2CCCC2)CC1 174101072 DGNVXEBPMQODDG-UHFFFAOYSA-N 338.477 1.930 0 40 EDAB Cc1cccc(-c2ncc(CN3CCN(C)[C@H](CCO)C3)cn2)c1 39500021 KFDSKWOVQZWTQT-GOSISDBHSA-N 326.444 1.950 0 40 EDAB CN(CC(=O)NCCc1ccc(Cl)cc1)c1ncnc2[nH]cnc12 45978383 OMZBMJXPNFOJTR-UHFFFAOYSA-N 344.806 1.801 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)c1ccccc1F)Cc1ccccn1 548531093 PLGIRJBDLNVZAY-NSHDSACASA-N 338.360 1.443 0 40 EDAB CC(C)OC[C@H]1CN(C(=O)c2cnn(-c3ccncc3)c2)CCO1 516539277 SHFJJCHJLKOMJW-MRXNPFEDSA-N 330.388 1.533 0 40 EDAB CNc1cnc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cn1 521396438 XPOPMZBXATYHAD-UHFFFAOYSA-N 335.408 1.648 0 40 EDAB C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCc1cscn1 189426861 YHSWDZFTZCIMNM-GFCCVEGCSA-N 326.466 1.172 0 40 EDAB C[C@H](CNC(=O)Cn1ccccc1=O)N1CCc2sccc2C1 32817163 XGTVLDMZQYRYOI-CYBMUJFWSA-N 331.441 1.473 0 40 EDAB Cc1cccc(CC(=O)N[C@H]2CCCC[C@H]2n2cc(CO)nn2)c1 530359765 DTJNZINPWQBQKH-DLBZAZTESA-N 328.416 1.921 0 40 EDAB COc1cc(OC)c(NC(=O)C[C@@H]2SC(N)=NC2=O)cc1Cl 6403418 DNQDWVQMICPNEE-JTQLQIEISA-N 343.792 1.643 0 40 EDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(N2CCCC2)nn1 69376234 VEDFARDNRFQULT-UHFFFAOYSA-N 336.359 1.305 0 40 EDAB CC(=O)N1CCN(C(=O)CN2C[C@@H](C)C[C@@H]2c2ccccc2F)CC1 75900789 DTLQXUASPNGXBG-KBXCAEBGSA-N 347.434 1.899 0 40 EDAB CC(C)C(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980577 WMQGSKCNVRFEOY-MRXNPFEDSA-N 346.427 1.947 0 40 EDAB CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2)CC1 39404103 HJIKYEGRXYPAHZ-CQSZACIVSA-N 330.384 1.996 0 40 EDAB O=C1CN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)CCN1 46867405 KTWASTDAUOQIIU-UHFFFAOYSA-N 348.406 1.917 0 40 EDAB COC(=O)COC(=O)c1scc(C)c1I 225540351 IBZSZBQAPSAESO-UHFFFAOYSA-N 340.138 1.991 0 40 EDAB Cc1noc(C)c1CC(=O)NCc1nn(C)c(=O)c2ccccc12 75148930 XFBMFXJTPUTHOZ-UHFFFAOYSA-N 326.356 1.397 0 40 EDAB CC(C)OCCCNC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 223868189 QCJDLDDDNNZOLZ-HNNXBMFYSA-N 342.461 1.550 0 40 EDAB CO[C@H]1CN(C(=O)NCc2ccc(-n3cncn3)cc2)CC[C@@H]1C 225490992 YZKIZZPTSPGTIB-BBRMVZONSA-N 329.404 1.834 0 40 EDAB CCS(=O)(=O)c1ccc(N2CCO[C@@](C)(c3cnn(C)c3)C2)cc1 225521057 VECTVMBAZRDJCV-QGZVFWFLSA-N 349.456 1.966 0 40 EDAB C[C@@H](O)C[C@@H]1CCCCN1C(=O)CCCN1C(=O)C(C)(C)N=C1O 331011617 XYOOFTYLPMVVHY-OLZOCXBDSA-N 339.436 1.453 0 40 EDAB COc1ccc(CN2C[C@@H]3[C@@H](COC[C@@H]3N3CCN(C)CC3)C2)cc1 96185726 SXFVPSZSJNNESO-RLLQIKCJSA-N 345.487 1.389 0 40 EDAB CCOCC(=O)N1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 96205940 WHJLSBDKTUGXBS-WMZOPIPTSA-N 334.416 1.785 0 40 EDAB O=C(c1ccncn1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96220433 NLTVGWCRUDSDMP-LZWOXQAQSA-N 326.356 1.323 0 40 EDAB CN1CCN(C[C@@H]2CN(Cc3ccncc3)Cc3nccn3C2)CC1 96188533 CIJCKZSLMIYDCY-GOSISDBHSA-N 340.475 1.158 0 40 EDAB c1cnc(N2CC[C@@H]3[C@@H](CO[C@@H]3Cc3nnc(C4CC4)o3)C2)nc1 96218739 YNMUBTNNSZJUOM-MGPQQGTHSA-N 327.388 1.821 0 40 EDAB O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2CC1CCOCC1)c1ccco1 96250294 RTQBRMNUMUWYSQ-LZLYRXPVSA-N 348.443 1.915 0 40 EDAB Cc1ccc(CN2CCO[C@@]3(COCCN(CCN(C)C)C3)C2)o1 96049777 GPEAAVQVFPERII-GOSISDBHSA-N 337.464 1.053 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2[C@H](CNc3cccnc3)CC[C@H]21 96250174 GWGYIWPMMZAROJ-IAOVAPTHSA-N 339.399 1.603 0 40 EDAB COCCN(C)C(=O)[C@@H]1CCCN(C(=O)c2sccc2OC)C1 95381564 DWDFWDFQVYVWGW-GFCCVEGCSA-N 340.445 1.714 0 40 EDAB C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1cnn(-c2ccccc2)c1 96421984 KTQZJQQTXXIXRR-HNNXBMFYSA-N 342.447 1.630 0 40 EDAB CCOC[C@H]1CN(C(=O)c2cnccn2)Cc2cnn(CC3CC3)c21 96198402 GJWPTVNEOGDXSR-OAHLLOKOSA-N 341.415 1.859 0 40 EDAB CN1C[C@H]2C3(CCN(C(=O)N(C)C)CC3)CC[C@@]2(C(=O)N(C)C)C1 96036295 OMDJSKNCIASVJU-KBXCAEBGSA-N 336.480 1.180 0 40 EDAB C[C@H](C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)n1cncn1 96420034 RMUNMHGQZIVSLC-LDYMZIIASA-N 329.187 1.996 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(CC2CCCCC2)Cc2nnn(C)c21 96198573 YMMPKQSTQAFFIL-OAHLLOKOSA-N 349.479 1.399 0 40 EDAB Cc1c(S(=O)(=O)N2CC3(CCN3Cc3ccccc3)C2)cnn1C 583651586 OPMUPGGJCHQOES-UHFFFAOYSA-N 346.456 1.378 0 40 EDAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1ccco1)C2 96056945 URLQMFVWMVMKQN-AEFFLSMTSA-N 336.432 1.756 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)N2CCN(C(=O)N(C)C)CC2)c1 96436061 BJQQMMUVBIOJFH-UHFFFAOYSA-N 341.415 1.620 0 40 EDAB CN(C)c1nc(N)nc(CN2CC[C@H](Oc3ccccc3Cl)C2)n1 95434253 IPIPIKTVTPCNFU-NSHDSACASA-N 348.838 1.827 0 40 EDAB C/C(=C\C(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1cccc(F)c1 96408596 OIIJBFXFCLJFLI-ZHZWZMEUSA-N 326.393 1.379 0 40 EDAB Cc1nc(CN2C[C@@]3(CCN(c4nncs4)C3)CC2=O)cs1 96239349 IWRIEXDNKLPGGI-AWEZNQCLSA-N 335.458 1.932 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 242688344 VNHCISAJECAVFL-OUCADQQQSA-N 331.821 1.359 0 40 EDAB Cc1ccc(C(=O)N2CC3(CC[C@@H](CN4CCOCC4)CO3)C2)o1 247924780 OZVIFGRRRXPPKV-HNNXBMFYSA-N 334.416 1.541 0 40 EDAB O=C(c1ncccn1)N1CC2(C1)OCC[C@H]2COCc1ccccn1 247884194 WOBNTWUFHVLFAR-AWEZNQCLSA-N 340.383 1.320 0 40 EDAB CC1(C)CCC[C@@](NC(=O)c2ccc(S(N)(=O)=O)o2)(C(=O)O)C1 585134380 QFHVBXNJPXQSET-AWEZNQCLSA-N 344.389 1.080 0 40 EDAB COC(=O)[C@@H]1[C@@H](CN(C)CC(C)(C)CN2CCOCC2)C1(F)F 585116666 DRDUIBZLVWAELC-OLZOCXBDSA-N 334.407 1.331 0 40 EDAB COCCOc1cccc(C(=O)Nc2cnn(CCN(C)C)c2)c1 585146018 DWRVSKVADXNZIM-UHFFFAOYSA-N 332.404 1.722 0 40 EDAB Cn1cc(CNCCn2ccnc2)c(I)n1 585137217 MLOMQIJTCILXDA-UHFFFAOYSA-N 331.161 1.011 0 40 EDAB CNS(=O)(=O)CCNC(=O)N[C@H](C)c1ccccc1SC 252489009 JDOLPGBTLJVASH-SNVBAGLBSA-N 331.463 1.318 0 40 EDAB Cc1ccc2nc(C(=O)N3CCO[C@H](c4nccc(C)n4)C3)cn2c1 257307850 TUJWJORZRAVWEO-HNNXBMFYSA-N 337.383 1.955 0 40 EDAB Cc1cn(C)c([C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257272514 NCRHGKPYQQIIBA-INIZCTEOSA-N 342.447 1.692 0 40 EDAB CC(=O)N1CCN(C(=O)Cn2nc(C)cc2C)C[C@@H]1c1ccccc1 257317607 VKMGODIDEINYGU-GOSISDBHSA-N 340.427 1.932 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(C(=O)[C@H]2CCCCO2)CC1 257325211 WRYOXCFJXOXRDZ-MRXNPFEDSA-N 346.431 1.388 0 40 EDAB CNc1cc([C@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)ccn1 257344657 ZYEMOAVZXCBYLO-HNNXBMFYSA-N 341.415 1.395 0 40 EDAB Cc1cc(=O)c(CO)nn1CC(=O)N1c2ccccc2CC[C@H]1C 274938896 DSHFQUHWGVPLED-GFCCVEGCSA-N 327.384 1.412 0 40 EDAB C[C@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)C1(S(C)(=O)=O)CC1 1615613196 UFEVIYJRUPHPSR-ZETCQYMHSA-N 339.339 1.134 0 40 EDAB COCCNc1nc(CC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cs1 1616040326 GKXXCEYLJQATMW-SMDDNHRTSA-N 338.477 1.343 0 40 EDAB CC(C)[C@@H](O)C(=O)Nc1ccc(CN=[S@@](C)(=O)N(C)C)cc1 1616038212 YCIULLNQIQINKL-JLCFBVMHSA-N 327.450 1.716 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(-n3ccnc3)c2)C1=O 298661678 WJTLFVHVSBBYNG-KRWDZBQOSA-N 341.371 1.531 0 40 EDAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(F)c(F)c1 390828709 BQYDTOVWFHJGPC-NSHDSACASA-N 344.325 1.411 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575405591 SJQYJNDJVYYFGT-CYBMUJFWSA-N 326.418 1.434 0 40 EDAB CCCCC(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3cccnc3)[C@H]2C1 575404436 MEZNEICARNAKKG-BZUAXINKSA-N 331.416 1.475 0 40 EDAB CNC(=O)CC[C@]1(O)CCCN(C(=O)CCCc2ccncc2)C1 585278108 LTTJHLVVKYLHAO-GOSISDBHSA-N 333.432 1.284 0 40 EDAB O=C(CCc1cc(O)no1)N1CC[C@@](O)(COc2ccccc2)C1 585277503 VYSURJDZVFPHTO-KRWDZBQOSA-N 332.356 1.355 0 40 EDAB O=C(CCOc1ccc(Cl)cc1)NC[C@H]1CCS(=O)(=O)C1 46575468 JYZYYWLZAMWUTL-LLVKDONJSA-N 331.821 1.660 0 40 EDAB CC1CCC2(CC1)CC(=O)N(CN1CCC3(CC1)OCCO3)C2=O 68869915 UTIXLNIVSFSVBH-UHFFFAOYSA-N 336.432 1.738 0 40 EDAB CCO[C@H](C)C(=O)NC1CCN(C(=O)Cc2cccc(OC)c2)CC1 69438691 LWIVVOJIZILWDK-CQSZACIVSA-N 348.443 1.770 0 40 EDAB C[C@H](CO)NC(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 69705222 YUSYPVWENNZCNV-GFCCVEGCSA-N 346.358 1.954 0 40 EDAB Cc1ccc(C(=O)NCC(C)(C)N2CCS(=O)CC2)cc1F 69923995 OHRDEWGSPXCFBK-UHFFFAOYSA-N 326.437 1.707 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)[C@@H]2CSc3ccccc3O2)CC1 70016303 LTOUKXJBSNCCHD-HIFRSBDPSA-N 336.457 1.455 0 40 EDAB CCc1cc2c(=O)n(Cc3cccc(OCC(N)=O)c3)cnc2s1 63887057 MIDYZDIVPPCOSK-UHFFFAOYSA-N 343.408 1.933 0 40 EDAB NC(=O)C[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)C1CCCCC1 82979790 OPRKPSFMEGELJC-CQSZACIVSA-N 342.403 1.216 0 40 EDAB CCc1onc(C)c1C(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 575446923 CSTWTQJTMIRVSJ-LBPRGKRZSA-N 345.403 1.935 0 40 EDAB COc1ccc(CNC(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1 824670827 CKPMJILUAWDENF-KRWDZBQOSA-N 347.459 1.995 0 40 EDAB Cn1cc(C(=O)N2CC(n3nc(-c4ccccc4)ccc3=O)C2)cn1 1775973224 KMILWJWGHLHVKP-UHFFFAOYSA-N 335.367 1.341 0 40 EDAB O=C(O)c1c[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2c1=O 5635275 LOQMVWHXOYKAQM-UHFFFAOYSA-N 336.369 1.401 0 40 EDAB Cc1cn([C@@H]2C=C[C@@H](COC(=O)c3ccccc3)O2)c(=O)[nH]c1=O 5423109 BKZQWZPYZIYYAQ-KBPBESRZSA-N 328.324 1.156 0 40 EDAB CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)C(=O)O 5833157 QWPWHUQCJADAAL-NSHDSACASA-N 349.792 1.816 0 40 EDAB CNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 5879380 DTLFCJSTEZFGDA-UHFFFAOYSA-N 336.388 1.763 0 40 EDAB Cc1cc2nc([C@H](NC(=O)CN3CCCC3=O)C(C)C)cc(O)n2n1 19129495 MYBFTKFWYVIFRF-QGZVFWFLSA-N 345.403 1.179 0 40 EDAB O=C(c1ccccn1)N1CC[C@@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 19399891 OCTNMYDIUJROJN-CQSZACIVSA-N 347.378 1.857 0 40 EDAB Cc1cc(C)n(C[C@@H](O)CN(Cc2ccco2)Cc2cncn2C)n1 19573792 YQVIFWWQELDTPM-KRWDZBQOSA-N 343.431 1.890 0 40 EDAB COC1CCN(c2ccc(C(=O)NCc3nc(C)no3)cc2)CC1 253407505 WNGGTBVRPNIGIJ-UHFFFAOYSA-N 330.388 1.923 0 40 EDAB CC(C)N1CC[C@H](N2CC(Cn3cc(Br)cn3)C2)C1=O 1889068367 XOAIHTHYGDKCEP-ZDUSSCGKSA-N 341.253 1.587 0 40 EDAB CCc1nnsc1C(=O)NCC1(N2CCOCC2)CCCCC1 21708018 FSFMNSGFHHGYLR-UHFFFAOYSA-N 338.477 1.865 0 40 EDAB Cc1nc(C)c(C(=O)N2C[C@@H]3OCCN(c4ncccn4)[C@H]3C2)s1 2056224439 JEPQKRCJAMFREF-STQMWFEESA-N 345.428 1.280 0 40 EDAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)c1ccc(F)cc1 11027504 UMTJMUGPIBBQNT-UHFFFAOYSA-N 338.342 1.874 0 40 EDAB CC(C)CCNC(=O)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055713526 ADFHMJIZLAGDTI-AWEZNQCLSA-N 332.448 1.748 0 40 EDAB CCCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055717902 DRKIZWKSZTWAKC-ZDUSSCGKSA-N 332.448 1.986 0 40 EDAB CCN(CC)C(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055714724 NZEHOFWJSCHYEA-CYBMUJFWSA-N 332.448 1.986 0 40 EDAB Cc1ccc(OCCNC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 31035757 GQFBQPCOUJANCN-UHFFFAOYSA-N 349.412 1.843 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)NCc1cnn(-c2ccccc2)c1 40489518 XLABTETXXQEYPM-CQSZACIVSA-N 347.444 1.279 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccn(C)c(=O)c1 40496649 CGQZLRAHGONNBU-AWEZNQCLSA-N 328.368 1.687 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)c2cc(C(C)=O)c[nH]2)c1 31335122 UYXALDZRMBXCKX-HNNXBMFYSA-N 332.356 1.698 0 40 EDAB Cc1n[nH]c(=O)nc1SCC(=O)Nc1ccc(F)c(Cl)c1 31773548 VKDGOBLRBYWVFV-UHFFFAOYSA-N 328.756 1.997 0 40 EDAB O=C(CCc1cccs1)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 40505266 FJPPMFFFGLFZOS-GDBMZVCRSA-N 338.473 1.534 0 40 EDAB Cc1nc(N)ncc1-c1nnnn1-c1ccc(Br)cc1 68617 XDNIMZYAVOSRFV-UHFFFAOYSA-N 332.165 1.772 0 40 EDAB Cc1csc2nc(CN3CCN(c4nccs4)CC3)cc(=O)n12 11412927 XFSGANRTXYECQW-UHFFFAOYSA-N 347.469 1.843 0 40 EDAB CN(CC(=O)N[C@@H]1CCCCNC1=O)CC12CC3CC(CC(C3)C1)C2 46037188 JEQZDWNLFVTUNF-VQBCORBOSA-N 347.503 1.920 0 40 EDAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1csc(-c2cccs2)n1 46111454 GQLMBRZGQXIJOH-MRVPVSSYSA-N 330.456 1.921 0 40 EDAB Cc1cccc(C)c1NC(=O)CN1CCN(C[C@@H]2CCOC2)CC1 51706439 NEWYKFHFJUGAAP-KRWDZBQOSA-N 331.460 1.896 0 40 EDAB CN(C)C1(CNc2c(NCc3ccncc3)c(=O)c2=O)CCCCC1 101697513 XMAGRSQTNLKKKC-UHFFFAOYSA-N 342.443 1.966 0 40 EDAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nnc(C(F)(F)F)[nH]1)CS2 69457556 PJAQMRMFTYQBCQ-RRAGMBSWSA-N 335.311 1.216 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc2c(c1)OCO2 21110303 RLJVBPUXHLFYRH-UHFFFAOYSA-N 327.340 1.490 0 40 EDAB CC(=O)Nc1nc(CN2CCO[C@H](Cn3cc(C)cn3)C2)cs1 69445557 XIVPXHXVXMWMER-AWEZNQCLSA-N 335.433 1.507 0 40 EDAB C[C@H]1CN(c2ccc(CNc3ccc4nnnn4n3)cn2)C[C@H](C)O1 52219076 QXGJQXKBJXGBID-RYUDHWBXSA-N 340.391 1.140 0 40 EDAB CCCCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 4847953 PQCKEXVRJLHDRR-UHFFFAOYSA-N 346.474 1.550 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1OC 6929009 JDXSONFZCFLTDA-JTQLQIEISA-N 344.433 1.285 0 40 EDAB COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C(C)=O)cc1 7219057 HKGQGYUOIDANRD-CQSZACIVSA-N 327.402 1.755 0 40 EDAB COc1ccc(-c2nnc(SCC(=O)NC3CC3)n2N)c(OC)c1 21576111 WKHIYSRUCVAJPW-UHFFFAOYSA-N 349.416 1.047 0 40 EDAB CC1(C)CC(=O)C(C(=O)Cn2nc(-c3cccs3)oc2=O)C(=O)C1 102448977 QBEMYPKXJIGXPZ-UHFFFAOYSA-N 348.380 1.708 0 40 EDAB COc1ccc([C@H]2C[C@@H]2NC(=O)C(=O)Nc2cccnc2OC)cc1 69493693 OESIMIAJUVOCGB-HIFRSBDPSA-N 341.367 1.710 0 40 EDAB COc1ccccc1NC(=O)NCc1ccc(S(N)(=O)=O)cc1 9155768 WQVUSUSYKKJQOA-UHFFFAOYSA-N 335.385 1.664 0 40 EDAB CCOC(=O)[C@H](C)NC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 53240941 CRKFHBNWLXAIQM-ZDUSSCGKSA-N 345.399 1.854 0 40 EDAB Cn1cc(CCNC(=O)N2CCCN(Cc3cccs3)CC2)cn1 46987884 HQQHJFYDBHOKHR-UHFFFAOYSA-N 347.488 1.942 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCCn3cncn3)CC2=O)c(F)c1 41863205 GZCAJHXDIMYJLD-CYBMUJFWSA-N 345.378 1.285 0 40 EDAB CCn1cc(S(=O)(=O)N(C)Cc2nn(CC)cc2Cl)c(C)n1 2803398 DRVKRAWJPXOETA-UHFFFAOYSA-N 345.856 1.902 0 40 EDAB Cc1cc(CN2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)no1 22798995 HQLPREAKQIQGLV-INIZCTEOSA-N 342.443 1.978 0 40 EDAB COc1ccccc1N1CCN(C(=O)N[C@H](C)Cn2ccnc2)CC1 47027442 ASJCBFWWLWCAQV-OAHLLOKOSA-N 343.431 1.812 0 40 EDAB Cc1nn(C)cc1CN1CCC2(CC(NC(=O)c3cscn3)C2)C1 108524446 LSLYHEXSEMGNRP-UHFFFAOYSA-N 345.472 1.970 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)CCCNc3ncccn3)C2)n1 54120670 JCTMXLDYBQAHKO-ZDUSSCGKSA-N 330.392 1.766 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 42533129 CZTOUSBZOLYAEG-CYBMUJFWSA-N 343.383 1.822 0 40 EDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)NCc1cccnc1 23743174 PGYBHVSCINHGPQ-UHFFFAOYSA-N 331.759 1.777 0 40 EDAB COc1ccccc1N(C(=O)C(F)(F)F)[C@@H]1C=CS(=O)(=O)C1 1295415 QIUFGFKDPQBGCE-SECBINFHSA-N 335.303 1.901 0 40 EDAB CCC[C@@H]1NC(=O)N(CC(=O)N(C)Cc2ccccc2OC)C1=O 24925513 YDADDBMAUGSFIA-ZDUSSCGKSA-N 333.388 1.374 0 40 EDAB CCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 19796970 ZPBJGRZMYSGQIY-GJZGRUSLSA-N 345.486 1.324 0 40 EDAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 100619190 JFXHUMFYXXUNCT-WDEREUQCSA-N 335.747 1.029 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101664468 FMJDCYGHTXSOJC-IICXDKKESA-N 340.379 1.601 0 40 EDAB CN1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1=O 44349700 GUYKTVABFLIGEY-LSDHHAIUSA-N 344.411 1.990 0 40 EDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1c(F)cccc1F 3396772 SWGVRILCKOXXKL-UHFFFAOYSA-N 340.307 1.921 0 40 EDAB CN(C)S(=O)(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 69740048 BKIXXFWHDWTDKO-LLVKDONJSA-N 333.404 1.325 0 40 EDAB COc1cc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1C 44891520 CARIDPBKSHGZGW-UHFFFAOYSA-N 348.424 1.510 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c1C 58244028 CQQZRGOYGQIVEH-ZDUSSCGKSA-N 349.431 1.795 0 40 EDAB CC(C)COC(=O)N1CCN([C@H](C)C(=O)Nc2nccs2)CC1 58202742 KVJBRVXWCFTBTE-GFCCVEGCSA-N 340.449 1.880 0 40 EDAB CCOCCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 58245388 VHQBYFPNJRZGKH-UHFFFAOYSA-N 335.447 1.332 0 40 EDAB O=C(O)[C@H]1CS[C@H](Cc2cccc(Br)c2)C(=O)N1 62712291 LWYBTSVQTZRYHM-NXEZZACHSA-N 330.203 1.676 0 40 EDAB CCOCc1ccc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 44911013 PNKLORQQBJSBGN-HNNXBMFYSA-N 340.445 1.263 0 40 EDAB O=S1(=O)N=C(N2CCN(Cc3cscn3)CC2)c2ccccc21 44977800 VSCHAQQXQMMLFD-UHFFFAOYSA-N 348.453 1.410 0 40 EDAB O=C(O)C[C@H](NCc1cccnc1)C(=O)OCCOc1ccccc1 2245829 WQCFGYJADZRMOZ-INIZCTEOSA-N 344.367 1.637 0 40 EDAB Cn1ccnc1[C@H](NC(=O)c1ccn(C)c(=O)c1)c1cccc(F)c1 28508408 DWNHAQCUAGYXAU-MRXNPFEDSA-N 340.358 1.777 0 40 EDAB Cc1cccc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)n1 48232298 YKCRKMYFYAXLIX-AWEZNQCLSA-N 326.400 1.940 0 40 EDAB COC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 408626830 XRMMTZGCTUYPOQ-GHMZBOCLSA-N 348.852 1.646 0 40 EDAB CC(=O)NCCNC(=O)NCc1c(C)nn(-c2ccccc2)c1C 48235390 BAZBCDRLVXUMMD-UHFFFAOYSA-N 329.404 1.424 0 40 EDAB O=C(NCCC(=O)N1CCN(C2CC2)CC1)c1ccc(Cl)cc1 62639995 JTYZGDGXSKTODW-UHFFFAOYSA-N 335.835 1.767 0 40 EDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)NCc2ccc(Cl)s2)C1 70215348 FPKXZJPRDMJCNE-MRVPVSSYSA-N 338.838 1.533 0 40 EDAB CC(C)Oc1ccccc1CN1CCC[C@H](CNS(N)(=O)=O)C1 69527901 SVMMDCQWMYCJTI-CQSZACIVSA-N 341.477 1.479 0 40 EDAB Cc1ccc(NC(=O)CS(=O)(=O)NC2CCC(C)CC2)nc1 69595686 PNOFZYIHKJBKAC-UHFFFAOYSA-N 325.434 1.827 0 40 EDAB CCc1ccc(O)c(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)[nH]n2)c1 13121756 MWBYLBNDPRSIIZ-NSHDSACASA-N 349.412 1.262 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1C(=O)O 13348923 UYLXFTWWNALNJT-UHFFFAOYSA-N 334.353 1.593 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1P(=O)(O)O 13653775 NIVHCIGPXGRAQO-VXGBXAGGSA-N 327.317 1.658 0 40 EDAB Cc1nn(C)c2ncc(NS(=O)(=O)c3cccc(C(=O)O)c3)cc12 39555109 ALIIQPAKCXPMJD-UHFFFAOYSA-N 346.368 1.776 0 40 EDAB CN(C)CC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 69922219 LMSOJCNZAQKBMU-UHFFFAOYSA-N 333.432 1.654 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)COc2cccc(F)c2)CC1 69919538 XIRUWWNIHOENDW-UHFFFAOYSA-N 346.406 1.673 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 69952237 KTQDPBMFXIOJHQ-UHFFFAOYSA-N 345.487 1.811 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2cc(C)nn2C)c1 65408912 QKGDCMXFHVAAPY-ZDUSSCGKSA-N 334.376 1.601 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)NC[C@@H](c1ccco1)N(C)C 65449567 WXBWLWRXLCXPCF-LBPRGKRZSA-N 332.408 1.262 0 40 EDAB CCN1CC[C@H](CNC(=O)NCCOc2ccc3c(c2)OCO3)C1 65443931 IUAJERKUYYVXDK-CYBMUJFWSA-N 335.404 1.435 0 40 EDAB CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)c3ncccc23)CC1 65551936 SORPFZIFSDGJEE-UHFFFAOYSA-N 347.440 1.786 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 14199949 BQJJZICPKJRGHV-HUUCEWRRSA-N 338.496 1.807 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4512378 JRDUHJWDRYKTQG-FESDDOHESA-N 329.352 1.674 0 40 EDAB COc1cccc2c1OC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1)C2 65623036 ACUCUXWPHYIWKA-AWEZNQCLSA-N 344.342 1.893 0 40 EDAB CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)O)c(OC)c2)C1=O 409247984 JDKVQCHLTNLMCS-YRNVUSSQSA-N 334.328 1.461 0 40 EDAB Cc1ccc(-n2nnn([C@H]3CC(=O)[C@@H]4OC[C@H]3O4)c2=S)cc1C 6659558 ZMLPWFLDFUXUJZ-IACUBPJLSA-N 332.385 1.671 0 40 EDAB O=C(c1cnc(NC[C@H]2CCCO2)c(Cl)c1)N1CCOCC1 66385978 URFKFKJEBCLJOZ-GFCCVEGCSA-N 325.796 1.798 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O 4999865 HGJRCBCWFBTYNN-UHFFFAOYSA-N 327.340 1.093 0 40 EDAB Cc1noc(C)c1COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 7738064 GWZFIKHHFWBABK-UHFFFAOYSA-N 329.312 1.038 0 40 EDAB CNC[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 71144386 ZGMYULAIWURRTJ-SNVBAGLBSA-N 333.251 1.679 0 40 EDAB O=C(Cn1nnc(-c2ccsc2)n1)NC(=O)NC1CCCCC1 8000180 YPFBHQAQFRZTHW-UHFFFAOYSA-N 334.405 1.560 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(CN2CCOCC2)cc1 71280351 UPXBJHYHZAIQSU-LSDHHAIUSA-N 332.400 1.814 0 40 EDAB O=C(COc1ccccc1P(=O)(O)O)Nc1ccc(F)cc1 9184490 QXQPPEXUPFUDOJ-UHFFFAOYSA-N 325.232 1.646 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)CSCC(=O)N2CCOCC2)cc1 72013257 SBUJUGMBUUGKNI-CQSZACIVSA-N 336.457 1.764 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)N[C@@]1(O)C(F)(F)F 19898620 GDGRQDVRZXBEGA-CWSCBRNRSA-N 332.278 1.471 0 40 EDAB CC(=O)N1CC[C@H](N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)[C@H](C)C1 89937361 QEUUFJWNVRUXBY-UUWFMWQGSA-N 347.434 1.992 0 40 EDAB CC(C)(C)n1ncc(C(=O)N2CC[C@H](C(N)=O)C2)c1C(F)(F)F 71821064 JNCKAEDHDXYBEC-QMMMGPOBSA-N 332.326 1.604 0 40 EDAB O=C(Cn1cnnn1)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 71884465 QFDWPKCURHZOFS-IBGZPJMESA-N 349.394 1.904 0 40 EDAB COc1ccc(CCC(=O)NC[C@H](C)N2CCN(C)CC2)cc1OC 71867495 YRICMLVBQGHAPZ-HNNXBMFYSA-N 349.475 1.389 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N(C)[C@H](C)c1ccccn1 71803254 RSBDXWMPOMRGMV-GFCCVEGCSA-N 328.438 1.113 0 40 EDAB CC(C)[C@@H](C(=O)N1CC[C@H](C(N)=O)C1)N1CCc2ccccc2C1 71839334 CPAOGIQNWDHBJV-IRXDYDNUSA-N 329.444 1.403 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(Br)cn1)[C@@H]1CCCO1 71914119 SYGPNQAQGSQONZ-SCZZXKLOSA-N 335.223 1.690 0 40 EDAB COc1ccccc1C(=O)NCC(=O)NCc1c(C)cc(C)[nH]c1=O 9835558 FWPCOHKKVKFKCO-UHFFFAOYSA-N 343.383 1.047 0 40 EDAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCN(CCO)CC1 75572130 PEHWNHVWWBSPEJ-UHFFFAOYSA-N 340.807 1.251 0 40 EDAB CC(C)[C@](C)(N)CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 72284400 FKDAQSUIGYFGOB-CQSZACIVSA-N 348.490 1.279 0 40 EDAB CCc1nnc([C@H](C)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)o1 97033224 JSWAHSQJIHGSPK-MNOVXSKESA-N 338.433 1.952 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCc2nn(C)c(=O)cc2C1 72302374 OOSFLHKHKQNWPX-ZDUSSCGKSA-N 338.411 1.116 0 40 EDAB Cc1nc(S)sc1CC(=O)N1CCN(c2nccn2C)CC1 76084236 CYEABSDBRZEZTR-UHFFFAOYSA-N 337.474 1.365 0 40 EDAB COc1cc2nc(NN)n(-c3ncccc3C)c(=O)c2cc1OC 408712879 YOTOCKOXXRVSKE-UHFFFAOYSA-N 327.344 1.392 0 40 EDAB C[C@H](Cc1ccc(Br)cc1F)NC(=O)[C@H]1CCC(=O)N1 95394163 AFKGYYKJVULYCM-PRHODGIISA-N 343.196 1.914 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)C3=NN(C(C)C)C(=O)CC3)C2)no1 78797112 UKHYPLWVUWQHLV-GFCCVEGCSA-N 347.419 1.725 0 40 EDAB CC[C@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@@H]1N1CCOCC1 84735920 YKRQWOPMEQMPLN-YJBOKZPZSA-N 342.443 1.606 0 40 EDAB Cc1noc(CNC(=O)N2CCN(c3nc(C)c(C)s3)CC2)n1 95436311 PCKGRAMUCHOXKE-UHFFFAOYSA-N 336.421 1.483 0 40 EDAB O=S(=O)(c1c[nH]cn1)N1CCC[C@@H](c2nnc3ccccn23)C1 95442347 YWLLEYLMAVDRJJ-LLVKDONJSA-N 332.389 1.021 0 40 EDAB Cc1ccn(-c2ccccc2NC(=O)NCCc2n[nH]c(C)n2)n1 95456160 LHQFYKUYAKZIJB-UHFFFAOYSA-N 325.376 1.971 0 40 EDAB CN1N=C(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)CCC1=O 78934244 XJRDQMARDFANEA-CQSZACIVSA-N 337.383 1.622 0 40 EDAB C[C@@H](c1cccc(F)c1)N1CCN(C(=O)[C@@]2(O)CCSC2)CC1 95985833 GMJGJFLWTJSTGL-SUMWQHHRSA-N 338.448 1.899 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)c1C 95991190 GAKONOCOEFASHW-QHCPKHFHSA-N 337.376 1.526 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNc2ccc3nccn3n2)c1 89392306 JGZLGFPARFYDLJ-UHFFFAOYSA-N 331.401 1.391 0 40 EDAB CC1(C)CC(=O)c2cc(C(=O)NCC3(O)CCCCC3)c(=O)[nH]c2C1 75144586 COPBYJGPPHKXQN-UHFFFAOYSA-N 346.427 1.955 0 40 EDAB Cc1cccc(C(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)n1 89688919 IXAVQIRBCPSHLO-UHFFFAOYSA-N 327.388 1.608 0 40 EDAB O=C(CCCc1cc(F)ccc1F)NS(=O)(=O)Cc1ccon1 89768483 CCROEKLNJOOGQX-UHFFFAOYSA-N 344.339 1.922 0 40 EDAB Cc1ccc(-c2csc3ncc(C(=O)NCCCO)c(=O)n23)cc1 64787900 VTYLMQFREFAFAX-UHFFFAOYSA-N 343.408 1.844 0 40 EDAB Cc1ccc(NC(=S)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 61251674 MGEKJKDPDLXZSB-ZDUSSCGKSA-N 327.475 1.658 0 40 EDAB CCc1ncnc(CC)c1C(=O)NC[C@H]1CCCN1c1cccnn1 556226962 AYMHJZOQAJSHJP-CYBMUJFWSA-N 340.431 1.790 0 40 EDAB CC(C)n1cc([C@H]2OCC[C@@H]2NC(=O)NCCc2cnccn2)cn1 1552462964 AQIBUVXFNFJNEI-JKSUJKDBSA-N 344.419 1.626 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2)s1 36182717 GMHAOBOXYQEWMP-UHFFFAOYSA-N 340.430 1.408 0 40 EDAB O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cc2ccccc2[nH]1 129133590 NTIGLFRTMZNFCC-MGBSGCIJSA-N 349.390 1.705 0 40 EDAB CCc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cc(C)n(C)n2)n(C)n1 1032699747 WCAOKFJWTCMCGJ-HOTGVXAUSA-N 342.447 1.123 0 40 EDAB CN(Cc1ccco1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1F 72241538 CRVVTKKLLUFUSN-DLBZAZTESA-N 346.358 1.976 0 40 EDAB O=C(CNC(=O)c1ccco1)NC[C@H](c1ccco1)N1CCCCC1 33024206 KOWAPTVGFHXFDJ-CQSZACIVSA-N 345.399 1.946 0 40 EDAB COC(=O)C1CCN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)CC1 32990868 USEXIUSITLLOBL-AWEZNQCLSA-N 336.388 1.446 0 40 EDAB CN1CCC(N2CCC[C@H]2c2nc(-c3cncnc3N)no2)CC1 35426017 WIIKVXTTXORRMM-ZDUSSCGKSA-N 329.408 1.340 0 40 EDAB biogenic,in-vitro CC(C)CCNS(=O)(=O)c1ccc(NCCCO)c(C(=O)O)c1 217652981 JYPNBSMXMFUUFZ-UHFFFAOYSA-N 344.433 1.504 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)(C)C 217529591 LPLSMLOIOXJSEP-SNVBAGLBSA-N 344.433 1.908 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](Cc2cnc(Br)cn2)C1 72343551 QFYBBVFPXGKOIG-VIFPVBQESA-N 334.239 1.453 0 40 EDAB Cc1n[nH]c(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)n1 40288295 ARCXKXTWIGRIJK-UHFFFAOYSA-N 344.338 1.522 0 40 EDAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCO 223571240 FPFPMMFFUWYKDL-CVEARBPZSA-N 346.456 1.494 0 40 EDAB Oc1nncn1C1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 574050919 MXDHLMLZDJOCMW-KRWDZBQOSA-N 343.431 1.526 0 40 EDAB Cc1cccc(OCC(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)c1 225788044 BDNQGCJUPAFFIJ-CQSZACIVSA-N 327.384 1.141 0 40 EDAB CCc1nc(N)n(CC(=O)NCc2ccc(OC)cc2)c(=O)c1C 49411043 MBXIWSLTNUUKFX-UHFFFAOYSA-N 330.388 1.021 0 40 EDAB COc1cc(S(=O)(=O)NC[C@H](C)Cn2cccn2)ccc1F 190530312 UWQGLDAGGNZBBK-NSHDSACASA-N 327.381 1.645 0 40 EDAB COC(=O)CCCNC(=O)c1nc(SC)ncc1Br 41097388 QLBHCDITCLYFHU-UHFFFAOYSA-N 348.222 1.644 0 40 EDAB CO[C@@]1(C)CCCN(C(=O)NCCC2CCS(=O)(=O)CC2)CC1 527517251 YWGGSXOPFYZPFM-INIZCTEOSA-N 346.493 1.802 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(OCc2nnc(N)s2)cc1 222645131 IYAILQFBNDYIGM-UHFFFAOYSA-N 328.419 1.386 0 40 EDAB CN1C[C@H](NC(=O)NCc2ccsc2Br)CCC1=O 225758077 SQOAFMLIZCNCLY-SECBINFHSA-N 346.250 1.931 0 40 EDAB CCC[C@@H](NS(=O)(=O)Cc1ccon1)c1nnc2ccccn12 81547122 GXZYYMBUOJXRAD-GFCCVEGCSA-N 335.389 1.678 0 40 EDAB O=C(c1cnccn1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 96186120 GOTXFTRDZNZLIF-XIRDDKMYSA-N 340.383 1.713 0 40 EDAB COC(=O)C[C@@H]1Cc2ccccc2N1CC(=O)NC[C@H]1CCCO1 583651415 MRTRJIDOVFWABE-LSDHHAIUSA-N 332.400 1.276 0 40 EDAB CC(C)c1noc(CCC(=O)Nc2nccc(-c3cnn(C)c3)n2)n1 577443845 KFUGHELDRCUVBZ-UHFFFAOYSA-N 341.375 1.955 0 40 EDAB O=C(NCCCn1cccn1)c1nnn(Cc2ccccc2)c1Cl 96183285 QRZMMONBNLOTOQ-UHFFFAOYSA-N 344.806 1.996 0 40 EDAB CN(C)CCOC[C@H]1CN(C(=O)CC2CCCC2)Cc2nnn(C)c21 96198529 MFDOIPMVENURGJ-OAHLLOKOSA-N 349.479 1.399 0 40 EDAB CN1C(=O)C[C@@H](CNC(=O)CCn2cccn2)[C@@H]1c1ccccc1 96500310 PKEDQVIHGKCQTK-YJBOKZPZSA-N 326.400 1.609 0 40 EDAB Cc1oncc1C(=O)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96187188 BYEGZTKSIPEZNZ-YCPHGPKFSA-N 329.356 1.829 0 40 EDAB CC(C)CC1(CNC(=O)c2cn(CC(=O)N3CCCC3)nn2)CCC1 95410739 ZPOPPFUPGSCPOZ-UHFFFAOYSA-N 347.463 1.847 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(COCCN(C(=O)c3ccoc3)C2)C1 96202081 KSWGWQWCLUOAQK-GOSISDBHSA-N 344.415 1.378 0 40 EDAB Cc1cccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1Cl 96494113 KEVSAIATBDPCHF-NSHDSACASA-N 330.837 1.754 0 40 EDAB CC(C)c1cc(CNC(=O)N2CCN(Cc3ccon3)CC2)on1 96440328 DAHBJROPFPJMGU-UHFFFAOYSA-N 333.392 1.813 0 40 EDAB O=C([C@@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1)N1CCCCO1 96057396 NCZHVTOKCFNFRX-MCIONIFRSA-N 337.445 1.819 0 40 EDAB O=C(NC[C@@H](CO)Cc1ccccn1)[C@@H]1CCOc2ccccc21 96454735 OOIPFHBWYMUNNE-WMLDXEAASA-N 326.396 1.915 0 40 EDAB CC(=O)N1Cc2ccnn2[C@H](CCNS(=O)(=O)c2ccccc2)C1 247922940 HPNNBRRBOOBUGJ-OAHLLOKOSA-N 348.428 1.155 0 40 EDAB O=C(CO[C@H]1CCOC2(C1)CN(Cc1ccncc1)C2)N1CCCC1 247722554 AIUWAZXEEONZBC-KRWDZBQOSA-N 345.443 1.454 0 40 EDAB Nc1cc(CC[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)ccn1 257285200 PGBRSUQJHNWNPQ-CYBMUJFWSA-N 341.415 1.349 0 40 EDAB O=C1C[C@H](CC(=O)N(CCn2ccnc2)C2CCSCC2)CO1 585087575 NAFKOSHCXFVKOC-ZDUSSCGKSA-N 337.445 1.561 0 40 EDAB CC(=O)N1CCN(Cc2ccc(F)cc2Cl)C[C@H](C(N)=O)C1 257203458 AQDGSQXPNDMXLK-LBPRGKRZSA-N 327.787 1.245 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)COc2cccnc2)C1 257292064 QJUMCYGKTBSDPL-AWEZNQCLSA-N 341.415 1.773 0 40 EDAB CO[C@H](C)CS(=O)(=O)Nc1nnn(-c2ccc(F)cc2)c1C 585129569 OAWNEEAXMHWHJV-SECBINFHSA-N 328.369 1.491 0 40 EDAB CNC(=O)[C@]1(C)CN(Cc2ccccc2Br)CCO1 257330600 XPAYKWYAKVSHHN-AWEZNQCLSA-N 327.222 1.786 0 40 EDAB COC[C@@H](NC(=O)N1CCC=C(Br)C1)[C@@H]1CCCO1 252484254 FTCDMROTIXEIKM-NEPJUHHUSA-N 333.226 1.875 0 40 EDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1 253601118 JTXARINKZFKOCL-LBPRGKRZSA-N 333.417 1.762 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)n1 257203654 ARAMEWLBFZHECM-ZDUSSCGKSA-N 330.392 1.050 0 40 EDAB CC(=O)N1CCC(N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)CC1 257212287 CCRKJECRYODJHP-IBGZPJMESA-N 346.475 1.840 0 40 EDAB COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)CN)c1 257279488 OGWVZKLKROXRRH-OAHLLOKOSA-N 341.415 1.747 0 40 EDAB COc1ncc(CN2CCC3(CC2)CN(C(C)=O)[C@](C)(CO)C3)cn1 257260089 LBGYBDIFEJXVAH-KRWDZBQOSA-N 348.447 1.071 0 40 EDAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1cscn1 257279687 OHSXMNTXPPADGI-OAHLLOKOSA-N 333.417 1.037 0 40 EDAB CC(C)COc1ncccc1C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 274217759 UTLIKWZWBLKLLI-CYBMUJFWSA-N 340.445 1.766 0 40 EDAB CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC[C@@H](O)c1cnn(C)c1 1616034157 AHTYIRUKRDRIDI-CFVMTHIKSA-N 340.468 1.981 0 40 EDAB CCOC(=O)[C@@H](O)[C@H](C)NC(=O)CCc1cccc(OC(F)F)c1 1615586180 KFDNSFMAYPBMOT-HZMBPMFUSA-N 345.342 1.649 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CC[C@H](Oc2ncc(F)cn2)C1 390827428 HBAVCMRKEOXBFA-LBPRGKRZSA-N 339.330 1.852 0 40 EDAB COCCc1cc(NC(=O)Nc2cc(-c3ccc(C)o3)[nH]n2)n(C)n1 390835079 CEQQDMUAQKRUQJ-UHFFFAOYSA-N 344.375 2.545 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)Nc1cnn([C@@H]2CCOC2)c1 96123256 OPIRYNCUHJGIMD-CYBMUJFWSA-N 337.401 1.962 0 40 EDAB CCn1cc(NS(=O)(=O)c2cc(C)c(C)s2)c(C(N)=O)n1 295153091 BZFOFCWLEZTFCF-UHFFFAOYSA-N 328.419 1.481 0 40 EDAB CO[C@@]1(COc2ccc(F)cc2)CCN(CC2(O)CCOCC2)C1 585279131 VECKZTLCXYEXQP-SFHVURJKSA-N 339.407 1.837 0 40 EDAB CC(C)[C@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(N)=O 585141117 PWXZAWAPZSXNFW-VIFPVBQESA-N 328.294 1.593 0 40 EDAB CNC(=O)[C@@H]1COC2(CN(Cc3ccc(C)cc3)C2)CN1CC1CC1 585109341 KQEQULVAIMDWIF-SFHVURJKSA-N 343.471 1.406 0 40 EDAB O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CNC2CCCC2)C1 585284012 QOINRHBMYKKIGR-PKOBYXMFSA-N 332.444 1.086 0 40 EDAB Cc1ccc(-n2nc(C(=O)NC(C)(C)C(N)=O)c3c2CCC3)cc1 57257737 HCIKCYPQCCLOIA-UHFFFAOYSA-N 326.400 1.663 0 40 EDAB Cc1ccc([C@H](CNC(=O)CNC(=O)c2ccoc2)N2CCCC2)o1 69537542 ZEKJYZVCMZFDQP-HNNXBMFYSA-N 345.399 1.864 0 40 EDAB CCS(=O)(=O)CC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 89272294 DYIULBNFIBIASK-ZBFHGGJFSA-N 336.457 1.564 0 40 EDAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(F)cc1 96375256 PYTQBOMNPKSZBP-NNQSOWQGSA-N 341.404 1.771 0 40 EDAB COc1cc(Br)c(CN[C@@H]2CCCNC2=O)cc1OC 95957199 CXBJNHCCFWOFSH-LLVKDONJSA-N 343.221 1.835 0 40 EDAB O=C(N[C@@H]1CC2(CCNCC2)Oc2ccccc21)N1CCOCC1 1614983020 NXQZRNMATKLDFV-OAHLLOKOSA-N 331.416 1.674 0 40 EDAB C[C@@H](O)CNC(=O)N[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 1615055729 POYLGTRILIAPGP-IUODEOHRSA-N 345.365 1.873 0 40 EDAB CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 12157971 FZPDGWWZFHTUKH-HZSPNIEDSA-N 337.445 1.738 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cc(C)cc(C)c3)N2N1 14607191 NPVYZZRMMSLXKA-CYBMUJFWSA-N 327.388 1.558 0 40 EDAB COc1ccc(C(=O)OCc2cc(=O)n3nc(C)sc3n2)cc1 15733959 NFPPTWYJBDRWDH-UHFFFAOYSA-N 331.353 1.825 0 40 EDAB O=C1NC[C@@]2(CCCN(C(=O)c3ccccn3)C2)Oc2ccccc21 19374789 CXLNPHWTSJREGO-LJQANCHMSA-N 337.379 1.879 0 40 EDAB COc1ncc(CN2CC[C@]3(CCc4ccccc4C(=O)N3)C2)cn1 19572100 MKZORNWAQYOHNH-LJQANCHMSA-N 338.411 1.806 0 40 EDAB COCC(=O)N1CC[C@H](c2cc(N3CCN(C)CC3)cc(C)n2)C1 19705289 JRKVTXFEXWQHLO-HNNXBMFYSA-N 332.448 1.104 0 40 EDAB COCCN1CCC[C@H](c2ncc(C(=O)N3CCOCC3)c(C)n2)C1 19766302 RCGQCUJVOWPYDA-HNNXBMFYSA-N 348.447 1.083 0 40 EDAB COc1ccc([C@H]2CC(=O)c3cnc4nc(N)[nH]c(=O)c4c3C2)cc1 19819873 INYWUFXOGMBCSE-SNVBAGLBSA-N 336.351 1.822 0 40 EDAB Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)N2CCCCC2)n1 4853391 RSRRVSJZIYWUKP-UHFFFAOYSA-N 343.431 1.675 0 40 EDAB Cc1noc(C)c1CC(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 225402918 RYLWYBGGDRVJCR-CYBMUJFWSA-N 345.403 1.370 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)Nc2c(F)cccc2F)C1=O 3487645 OVZIOUZPPLIWIS-NSHDSACASA-N 325.315 1.870 0 40 EDAB Cc1nc(C2CCC2)cc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 1888853095 JNQXLCSJGVOGJC-MRXNPFEDSA-N 330.432 1.880 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](N(C)c2ncnc(C(C)C)c2F)C1 1888853695 QSNFHVZSKPLJAF-GFCCVEGCSA-N 344.456 1.989 0 40 EDAB Cc1cc(C(=O)N2CC(Cn3cc(Br)cn3)C2)nn1C 1889128467 BFYJGSWWERSBOM-UHFFFAOYSA-N 338.209 1.460 0 40 EDAB CC[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)CCO1 30854428 ZOFAKRFFIBDMIW-SECBINFHSA-N 345.193 1.409 0 40 EDAB O=C1NCCC[C@H]1N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776009640 UXCWLOAEDCFUCA-LLVKDONJSA-N 342.321 1.028 0 40 EDAB CN1C[C@@]2(COCC1=O)CN(Cc1cc(F)ccc1F)CCO2 2037983662 BORYLUGEZKDPMA-INIZCTEOSA-N 326.343 1.024 0 40 EDAB Cc1ncsc1C(=O)N1CC[C@]2(COCC(=O)N(C(C)C)C2)C1 2037985619 PVFZJADCLOHGTN-INIZCTEOSA-N 337.445 1.551 0 40 EDAB Cc1ccccc1N1C[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)CC1=O 1565545470 GUSNCFUIROCDCL-JBZZYGANSA-N 340.423 1.843 0 40 EDAB O=C(NCc1ccco1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 9708574 GRJHSMHFXPZLDO-UHFFFAOYSA-N 339.351 1.370 0 40 EDAB O=C(N[C@@H]1CCc2onc(CN3CCCC3)c2C1)c1ccccn1 2055738868 WLDQPCLFBAOCGH-CYBMUJFWSA-N 326.400 1.953 0 40 EDAB CC(C)(C)C(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055781603 SMOZALBNVSIEGX-UHFFFAOYSA-N 332.448 1.773 0 40 EDAB O=C(N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1)C1CCOCC1 2055739392 UVPASFLAPJLKKA-CYBMUJFWSA-N 347.415 1.311 0 40 EDAB Cc1cccn2c(=O)cc(OCC(=O)N3CCc4ccccc43)nc12 23141363 NQJKIBGFDVAUCR-UHFFFAOYSA-N 335.363 1.971 0 40 EDAB Cn1nc(C(=O)Nc2ccccc2NC(=O)c2cccnc2)ccc1=O 38490122 SYGWYDHDCLKMPW-UHFFFAOYSA-N 349.350 1.680 0 40 EDAB O=S(=O)(NCCOc1cc(N2CCCC2)ncn1)c1ccccc1 38521744 QWJRCCIPEKSBCU-UHFFFAOYSA-N 348.428 1.434 0 40 EDAB O=C(C1CCOCC1)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225780073 HNLMANZDPLUKPE-UHFFFAOYSA-N 347.802 1.659 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c12 40477681 BKRDNYFZGYXAML-SNVBAGLBSA-N 335.385 1.326 0 40 EDAB O=C(Cn1nc(-n2cncn2)ccc1=O)N(C1=CCCCC1)C1CC1 40539751 OQKBYYQJOTZNNE-UHFFFAOYSA-N 340.387 1.273 0 40 EDAB Cc1nn(CC(=O)NC[C@@H](C)N2CCCC2)c(=O)c2ccccc12 40522568 BLRNSWJDISMYBV-CYBMUJFWSA-N 328.416 1.305 0 40 EDAB O=C(NCCCn1cccn1)[C@H]1CC(=O)N(c2ccccc2F)C1 40504437 YEXLCOVIVUZEAR-ZDUSSCGKSA-N 330.363 1.582 0 40 EDAB O=C(NC1CCN(c2ncccn2)CC1)N[C@@H]1CCN2CCCC[C@H]12 45711466 KBOLFWTXNKFHIX-HZPDHXFCSA-N 344.463 1.371 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCN(c3cnccn3)CC2)c1 32418806 NXXBOBAGSSVVGL-UHFFFAOYSA-N 336.392 1.435 0 40 EDAB Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)cc1 10041142 RLXJKYCJHHKKMZ-CQSZACIVSA-N 332.425 1.978 0 40 EDAB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc[nH]c1=O 32924652 ODDBRFYJSGJMNZ-UHFFFAOYSA-N 331.416 1.676 0 40 EDAB CC(=O)Nc1nc(C(=O)NCCc2ccc3c(c2)OCCO3)cs1 32980832 VWMGMVBKIFQDCC-UHFFFAOYSA-N 347.396 1.845 0 40 EDAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N2CCCC2)c1C 21718429 ZGYBINPCNZJOLE-UHFFFAOYSA-N 333.413 1.838 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N3C[C@@H](C)OC[C@H]3C)CC2=O)cc1 69420844 VLYHZDRNIFINAP-IIAWOOMASA-N 346.427 1.680 0 40 EDAB Cc1ccccc1[C@H](C)NC(=O)CCn1cc(S(N)(=O)=O)cn1 69440047 FXSYLSVFJYSMAF-LBPRGKRZSA-N 336.417 1.106 0 40 EDAB CC(C)(C)c1nc(CN2CCC[C@H](NS(C)(=O)=O)C2)cs1 52671713 JJIIMLCKRZAJRH-NSHDSACASA-N 331.507 1.954 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)Nc3ccnn3C(C)C)CCO2)c1 69464501 OTPDWXLJHBHUNN-HNNXBMFYSA-N 346.435 1.308 0 40 EDAB O=C1C[C@H](C(=O)N[C@@H]2CCN3CCCC[C@H]23)c2ccc(F)cc2N1 46998275 OYYKLLJLWPVHAR-SQWLQELKSA-N 331.391 1.995 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@H](O)COc1ccccc1F)CC2 69490431 CZZJVTKSBXOHGY-ZDUSSCGKSA-N 346.406 1.480 0 40 EDAB COC(=O)Nc1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 53086609 GJKHBHDJZCIZRY-UHFFFAOYSA-N 325.324 1.916 0 40 EDAB Cc1csc(=O)n1CCN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 47354444 AKNHJLXEQSYLDE-INIZCTEOSA-N 349.387 1.825 0 40 EDAB CCN1CCN(C(=O)[C@H](C)N2CCC(c3nc(C)no3)CC2)CC1 53641237 ICPAJFBBSRPMEB-ZDUSSCGKSA-N 335.452 1.110 0 40 EDAB c1cc(CNCc2ccnc(N3CCOCC3)c2)c2c(c1)OCCO2 54174501 BJOPFCJYFSSHHB-UHFFFAOYSA-N 341.411 1.979 0 40 EDAB CC(C)c1nnc(NC(=O)Cn2nc3c(cc2=O)CCCC3)s1 61719477 VEADVMBBMYQKDS-UHFFFAOYSA-N 333.417 1.736 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C)COC)c1 23981194 RURHNAFRVSBTTM-LLVKDONJSA-N 346.424 1.621 0 40 EDAB O=S1(=O)c2cccc3cccc(c23)N1C[C@H](O)CN1CCOCC1 24085596 HYOGBHRBDGINOT-CQSZACIVSA-N 348.424 1.042 0 40 EDAB CCCn1cc(CN2CCCN(C(=O)C3=COCCO3)CC2)cn1 105831431 KULDEIPQKMXEIF-UHFFFAOYSA-N 334.420 1.216 0 40 EDAB Cc1cn2nc(N3CCN(Cc4nccn4C)[C@@H](C)C3)sc2n1 106659080 PGPQUJUGTITJRS-LBPRGKRZSA-N 331.449 1.543 0 40 EDAB c1csc(CN2CCOC[C@]3(C[C@@H](Cn4cnnc4)CO3)C2)c1 107243799 TWSUUXRJZJOGMH-HOCLYGCPSA-N 334.445 1.647 0 40 EDAB CN(CC(=O)N1CCCCCC1)Cc1nc2ccccc2c(=O)[nH]1 35380042 QCWKFIBWYYYNOW-UHFFFAOYSA-N 328.416 1.758 0 40 EDAB C[C@@H](NC(=O)[C@H]1COCCO1)c1ccc(NC(=O)NC2CC2)cc1 44627993 IFAUYYMARIVNLE-IAQYHMDHSA-N 333.388 1.563 0 40 EDAB COCCN1C(=O)[C@@H](N2CSCC2=O)[C@@H]1c1ccc(Cl)cc1 58154875 IOHUXUPTSZQSKX-KBPBESRZSA-N 340.832 1.771 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)NCCOc1ccccc1 44888934 HYAXYPMIRCQDBD-UHFFFAOYSA-N 337.379 1.982 0 40 EDAB CCCNC(=O)CSc1nnc(S[C@@H](CC)C(N)=O)s1 58278571 NZFWCXFXKNWMFK-ZETCQYMHSA-N 334.492 1.512 0 40 EDAB CN(C(=O)CN1CCC(c2ccnn2CCO)CC1)C1CCCCC1 58296421 JMPGCJXVNKTMLQ-UHFFFAOYSA-N 348.491 1.846 0 40 EDAB C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2)CC(C)(C)O1 58209440 JHZNXIZWXHPCFP-CYBMUJFWSA-N 340.445 1.381 0 40 EDAB COc1ncccc1CNC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 44968835 JMZPPHRSVVTTMU-LLVKDONJSA-N 346.353 1.774 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 44970754 XLEGINZSMHWEMA-LLVKDONJSA-N 333.358 1.446 0 40 EDAB O=C(Cc1cccc(F)c1)NCCNC[C@@H]1CNc2ccnn2C1 58300228 MBMVRIPFZXFZRD-CQSZACIVSA-N 331.395 1.012 0 40 EDAB CN1C[C@@H](NS(=O)(=O)c2ccccc2OC(F)(F)F)CC1=O 58392373 YLGOSXAWDZHCAH-QMMMGPOBSA-N 338.307 1.094 0 40 EDAB COc1ccc([C@H](C)NC(=O)NCCCNS(C)(=O)=O)cc1F 45138857 UIAHPPNVGLSPQV-JTQLQIEISA-N 347.412 1.134 0 40 EDAB CC(=O)N1CCN(CC(=O)NCCc2ccc(C(C)C)cc2)CC1 36389725 VLGOISACYVKCSC-UHFFFAOYSA-N 331.460 1.633 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccnc(-n3cccn3)c2)C1 48324770 LREWICVLYIXVCA-OAHLLOKOSA-N 342.403 1.077 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)NCc1ccnc(N2CCOCC2)c1 28418194 NKCTZQAYPJHRNE-AWEZNQCLSA-N 344.415 1.942 0 40 EDAB O=C(CN1CCN(c2ccccn2)CC1)N1CCc2ccccc2C1 3491045 JKZNMGYHRMLLTP-UHFFFAOYSA-N 336.439 1.789 0 40 EDAB CC(C)(C)CC(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 69515932 OFDCMXHSWBNYSA-UHFFFAOYSA-N 329.404 1.969 0 40 EDAB O=C1CC[C@@H](C(=O)NC2(C(=O)NC3CCCCC3)CCCCC2)N1 3626050 SKMRQAYEKJMDDU-AWEZNQCLSA-N 335.448 1.533 0 40 EDAB CC[C@H](C)NC(=O)NC(=O)CSc1nc2nc(C)cc(C)n2n1 8621930 TXWQYHSSCBSNIO-QMMMGPOBSA-N 336.421 1.458 0 40 EDAB C[C@H]1CCc2sc(C(=O)N3CCN([C@@H](C)C(N)=O)CC3)cc2C1 69895531 XGIMKYOXUWXONG-RYUDHWBXSA-N 335.473 1.505 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)N1CCC(O)CC1)c1cccc(F)c1 65452494 HOWPORVBLTYUSL-HNNXBMFYSA-N 332.379 1.815 0 40 EDAB CCCN1CCC(CNC(=O)c2sccc2-n2cnnn2)CC1 65587236 WDSHUUXYUIQIOW-UHFFFAOYSA-N 334.449 1.576 0 40 EDAB C[C@@H](c1ccccc1F)N1CCN(CC(=O)NC(=O)NC2CC2)CC1 65591505 WMWVQYDXYGAKFB-ZDUSSCGKSA-N 348.422 1.493 0 40 EDAB Cc1cc(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)[nH]n1 67810445 HMQALVWEAJJBLS-CQSZACIVSA-N 328.416 1.869 0 40 EDAB CCOCCCN1C(=O)C(=O)N(CC(=O)c2ccc(OC)cc2)C1=O 6589474 ZJBOLISQRUPMGT-UHFFFAOYSA-N 348.355 1.095 0 40 EDAB COc1ccc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)c(OC)c1OC 8971330 RKWAFIRPEBSYAZ-SNVBAGLBSA-N 345.355 1.578 0 40 EDAB CC/C(NCCN(C)C)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 19362952 FCPYUAKBHHBZRB-CCEZHUSRSA-N 344.415 1.080 0 40 EDAB COCCc1ccc(-c2csc(NC(=O)Cn3cnnn3)n2)cc1 7990664 IYXTURBIOLXPCA-UHFFFAOYSA-N 344.400 1.624 0 40 EDAB CC(C)NC(=O)[C@@H](c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 71186408 CNSVCDKFLHGWRH-ZWKOTPCHSA-N 342.443 1.850 0 40 EDAB Cc1cc(S(=O)(=O)NCC(=O)NCc2ccco2)sc1C 91036866 YSPYHNYCPNRGPD-UHFFFAOYSA-N 328.415 1.553 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CCN(CC2CC2)C1 81689296 GSZWELBMWKELBB-CYBMUJFWSA-N 332.448 1.590 0 40 EDAB O=C(c1cncc(O)c1)N1CCN(Cc2ccc(Cl)cn2)CC1 96011234 UOOXZGQNVOJLJY-UHFFFAOYSA-N 332.791 1.794 0 40 EDAB COc1cc(C(=O)Nc2nccn(C)c2=O)sc1Br 89918197 PMYQWZPNABOACY-UHFFFAOYSA-N 344.190 1.865 0 40 EDAB NS(=O)(=O)CC1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 89993162 AYMOPNYIFMUJMT-UHFFFAOYSA-N 335.429 1.029 0 40 EDAB NC(=O)CCNC(=O)c1cccc(NC(=O)CCc2ccsc2)c1 71796417 NMNKPCVNAUARIJ-UHFFFAOYSA-N 345.424 1.925 0 40 EDAB O=C(CNC(=O)NCc1ccco1)N[C@@H]1CCC[C@@H]1n1ccnc1 96411789 ABPJTVKSSQPDOC-KGLIPLIRSA-N 331.376 1.185 0 40 EDAB O=C(CCc1nc(-c2nc[nH]n2)no1)NC[C@H]1C[C@H]1c1ccccc1 96405486 INXAPTLUNIJQHA-OLZOCXBDSA-N 338.371 1.707 0 40 EDAB O=C(NCCCc1cccc(Br)c1)c1n[nH]c(=O)[nH]1 71889190 YUGCTLAFUYVKHF-UHFFFAOYSA-N 325.166 1.223 0 40 EDAB NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)[C@@H]3CCCO3)c2)C1 71888092 FVJMJHPHABJFBT-SJORKVTESA-N 345.443 1.179 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 71886883 JPGBKVUDNZUNKZ-IRXDYDNUSA-N 333.476 1.559 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)CCC(=O)c1ccc2c(c1)OCCO2 71853324 JMNSWFICRZXYAB-CYBMUJFWSA-N 346.383 1.158 0 40 EDAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1CCC(=O)N(C)C1 71915349 OFOOPYZDPZSHJK-ZBFHGGJFSA-N 349.406 1.317 0 40 EDAB COc1ccc(C(=O)N[C@H]2C(=O)NN[C@H]2c2ccc(OC)cc2)cc1 409057241 JFDNXFYPCQXACF-JKSUJKDBSA-N 341.367 1.178 0 40 EDAB Cc1cc(C(F)(F)F)c2c(=O)n(CC(=O)NC3CC3)n(C)c2n1 75633390 ZAFHQDDKDCLXOS-UHFFFAOYSA-N 328.294 1.341 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@@H](n3cncn3)C2)c1 72272213 GGKJRGNKCVBDON-OAHLLOKOSA-N 348.428 1.300 0 40 EDAB O[C@@H](CN1CCC(CNCCn2cncn2)CC1)c1ccccc1 75603049 FFFOVYIPAWGGJK-SFHVURJKSA-N 329.448 1.313 0 40 EDAB COC(=O)[C@@H](NC(=O)CCc1nc2ccccc2[nH]c1=O)C(C)C 72325214 ATOCCMXEIPEEBB-HNNXBMFYSA-N 331.372 1.170 0 40 EDAB biogenic CCCc1n[nH]c([C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1 76045861 SYNRKCQWXWCVIK-CQSZACIVSA-N 346.435 1.250 0 40 EDAB CC(C)Oc1ccc2nnc(CCC(=O)Nc3cccnc3)n2n1 72404294 ZGPOOIRJJSMOPK-UHFFFAOYSA-N 326.360 1.878 0 40 EDAB CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NCC(=O)NC(N)=O 84456903 HNKSCTYOQICLOJ-OAHLLOKOSA-N 330.429 1.100 0 40 EDAB C[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)CN1CCCC1=O 84638466 QIRNEPCJMJIANO-GFCCVEGCSA-N 327.384 1.516 0 40 EDAB CCc1noc([C@H](C)N2CCN(C[C@@H](O)Cc3ccccc3)CC2)n1 95360779 ZPNYRZOXEKDLLW-RDJZCZTQSA-N 344.459 1.914 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@@H]1N1CCOCC1 84735919 YKRQWOPMEQMPLN-QAPCUYQASA-N 342.443 1.606 0 40 EDAB O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1ccc2[nH]cnc2c1 95431908 RWUZTPRBPWIJLK-ZDUSSCGKSA-N 335.367 1.602 0 40 EDAB CCN1CCN(c2ccccc2CN[C@H]2CCS(=O)(=O)C2)CC1 95410383 UXXFQYVSUKGJGI-INIZCTEOSA-N 337.489 1.105 0 40 EDAB NC(=O)[C@H]1CSCCN1C(=O)CSCCCc1ccccc1 95452011 DDIKLWUDAKSYGZ-CQSZACIVSA-N 338.498 1.782 0 40 EDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3nnsc3Cl)C2)C1=O 95402588 LJVWBUUCAMZTLL-OQPBUACISA-N 343.840 1.344 0 40 EDAB Cc1ccc([C@H]2CSCCN2C(=O)c2nc(O)[nH]c(=O)c2N)cc1 73764490 RLXBOURRMOICNS-LLVKDONJSA-N 346.412 1.296 0 40 EDAB Cc1ccccc1-c1cc(C(=O)N2CCN(C[C@H](C)O)CC2)[nH]n1 78777027 YQMGIWHALHKHJE-AWEZNQCLSA-N 328.416 1.524 0 40 EDAB O=C1CNC(=O)N1CCCC(=O)N1CCCC[C@@H]1c1nccs1 78813703 JBALBBUARVHFFX-LLVKDONJSA-N 336.417 1.529 0 40 EDAB O=S(=O)(Nc1cn[nH]c1)c1cc(Br)cc2c1OCC2 95939290 SFWWBEQQPQWOQK-UHFFFAOYSA-N 344.190 1.908 0 40 EDAB Cc1nc2n(c1CN1CCN(C(=O)[C@@H]3OCC[C@H]3C)CC1)CCCC2 95988472 DHQBHTFEEOTISH-RDTXWAMCSA-N 346.475 1.597 0 40 EDAB Cc1nccn1C[C@@H](C)CNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 78923470 IOFVDIWXEXMADF-GXTWGEPZSA-N 335.452 1.526 0 40 EDAB CCc1noc(CN2CCN(Cc3nccn3C(F)F)CC2)n1 78970610 MRNMNVLTXLWSNL-UHFFFAOYSA-N 326.351 1.541 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)c(C)c1 74812656 PAWIVOKWYCLNID-UHFFFAOYSA-N 338.429 1.307 0 40 EDAB NC(=O)c1ccc(NCC2CCN(C(=O)c3ccccc3)CC2)nn1 75053554 BGXPGUKUEZESDG-UHFFFAOYSA-N 339.399 1.540 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN[C@](C)(CC(C)C)C(N)=O 75142033 CBNHXSYYEGWJNP-LJQANCHMSA-N 347.459 1.854 0 40 EDAB Cc1cc(C)c(CNC(=O)NCCCN2CCCCCC2=O)c(=O)[nH]1 75111075 WCGZATJOTULNLO-UHFFFAOYSA-N 348.447 1.584 0 40 EDAB COc1ccc(CN2C(=O)CO[C@H]3CN(C(=O)C4CC4)C[C@H]32)cc1 67897575 RIXAHMVNLATVSP-CVEARBPZSA-N 330.384 1.043 0 40 EDAB biogenic,in-vitro O=C(CSc1cc(N2CCOCC2)ncn1)Nc1nccs1 36708473 TVZIIMUSBDGKAM-UHFFFAOYSA-N 337.430 1.501 0 40 EDAB COc1ccc(NC(=O)C[C@@H](c2ccsc2)n2cnnn2)cn1 524735810 ZMEHCFBNBVQESL-LBPRGKRZSA-N 330.373 1.756 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cc(Cl)cn3C)CC2)n1 71819931 JJWXTLAAWBGDLZ-UHFFFAOYSA-N 335.795 1.440 0 40 EDAB CO[C@H]1CN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC[C@@H]1C 187398845 SWKXMVXTJRQCGW-AVGNSLFASA-N 337.386 1.937 0 40 EDAB Cc1nnc(CN2CCN(Cc3cccc(F)c3)C(=O)C2)n1C1CC1 126005440 MMSSRHSSOQIICI-UHFFFAOYSA-N 343.406 1.905 0 40 EDAB N[C@@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccc2c(c1)OCO2 72227575 GTAINGLNQBNMFF-HOTGVXAUSA-N 326.308 1.559 0 40 EDAB Nc1nccnc1C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 30624422 YAEZNQDRGRKDLO-LBPRGKRZSA-N 341.419 1.397 0 40 EDAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(N2CCOCC2)ncn1 75166244 YOQPGIKQEDVFEY-LBPRGKRZSA-N 346.362 1.858 0 40 EDAB COC(=O)NCCc1nc(-c2ccc(-n3nc(C)cc3C)nc2)no1 78774662 YYFQTNFEHSUEEG-UHFFFAOYSA-N 342.359 1.833 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(NCCCO)c(C(=O)O)c1 217553894 RLTFBDLTAQACSC-UHFFFAOYSA-N 330.406 1.113 0 40 EDAB Cc1nc2ccc(O)cc2c(=O)n1CC(=O)N=c1[nH]c2ccccc2[nH]1 72406084 VGKNAVNGMFCBRM-UHFFFAOYSA-N 349.350 1.347 0 40 EDAB CC[C@@H]1CN(C)c2ccccc2CN1C[C@@H](O)CN1CCOCC1 195537889 CHHZILRVZOYUPF-MSOLQXFVSA-N 333.476 1.410 0 40 EDAB CC(C)n1cnc(S(=O)(=O)NCC2(O)Cc3ccccc3C2)c1 225716671 ZNIRSULWJSDHCT-UHFFFAOYSA-N 335.429 1.272 0 40 EDAB COc1ccc(C2(C(=O)N3C[C@@H](CO)[C@@H](O)C3)CC3(CCC3)C2)cc1 575603393 DWFNTSUSXUMATJ-YOEHRIQHSA-N 345.439 1.709 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 222360049 PTQYCZUBYRLQBS-KGJNNHDYSA-N 331.412 1.973 0 40 EDAB Cc1cc(F)cc2c1N(S(=O)(=O)[C@H](C)C(=O)N(C)C)CCC2 193932502 SZWUMDGQLFKATH-LLVKDONJSA-N 328.409 1.693 0 40 EDAB CNC(=O)c1cccc(CNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)c1 49658415 JTMOOJAQFQTYSK-OAHLLOKOSA-N 346.431 1.056 0 40 EDAB O=S(=O)(C1CC1)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96208568 LAXTXSANRIYNPD-BBRMVZONSA-N 338.429 1.576 0 40 EDAB O=C(NCCN1CCN(C[C@H](O)c2cccc(F)c2)CC1)C1CCC1 96414900 RVEKHSVCSVACJX-SFHVURJKSA-N 349.450 1.393 0 40 EDAB CN(CCCS(C)(=O)=O)CCN1CCN(c2ccccc2)CC1 96414986 LGTLEHNQJIIHRT-UHFFFAOYSA-N 339.505 1.175 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCn2c(Cn3cncn3)cnc2C1 96201152 JTIQROVNMFMCJU-UHFFFAOYSA-N 340.362 1.247 0 40 EDAB O=C(c1ccc(N2CCCCC2)cc1)N1CCCS(=O)(=O)CC1 96445287 RXEHPLPHRYWIQR-UHFFFAOYSA-N 336.457 1.938 0 40 EDAB CC(C)N1[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1-n1cnnn1)CC2 96443935 MDZVDIUOBLLOTF-LSDHHAIUSA-N 340.431 1.750 0 40 EDAB O=C(NCc1cccs1)[C@@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1 97953824 AHIBCDAMVUACIT-AEGPPILISA-N 344.440 1.838 0 40 EDAB Cc1noc(C)c1CN1C[C@@H](C(=O)N2CCCO2)C[C@H]2OCC[C@H]21 96057695 LOWYRXSIGACIFV-NUEKZKHPSA-N 335.404 1.435 0 40 EDAB CN(C)C(=O)N1CCN(c2nnc(Cc3ccccc3)s2)CC1 96501977 VEZKBYPPWCBCEN-UHFFFAOYSA-N 331.445 1.933 0 40 EDAB COc1nn(C)c2c1CCCN(S(=O)(=O)c1ccccc1F)C2 96254491 OJHBOALDMVFSTL-UHFFFAOYSA-N 339.392 1.705 0 40 EDAB CCc1cnc(N2CCC3(CCC(=O)N3CC(=O)N(C)C)CC2)nc1 96228094 GYGLADPAIROMIX-UHFFFAOYSA-N 345.447 1.089 0 40 EDAB Cc1nc(C)n(CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1 332322237 PAOHOZJDWZVHIZ-ZDUSSCGKSA-N 347.463 1.392 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)C2 97198728 YMHFJYXHWAKVBU-GFCCVEGCSA-N 331.420 1.936 0 40 EDAB CN1C(=O)C[C@@H](c2ccncc2)C12CCN(Cc1nccn1C)CC2 96069790 SAOVJKOBFGPKNR-INIZCTEOSA-N 339.443 1.796 0 40 EDAB Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)NC4CCC4)[C@@H]3C2)cn1 96043335 ZPRLWTIBIMDBOZ-IXDOHACOSA-N 332.448 1.316 0 40 EDAB Cn1nnc2c1CCN(C(=O)C1CCOCC1)[C@@H]2COCC1CC1 96045303 SCSBYWLJRDIUEI-OAHLLOKOSA-N 334.420 1.094 0 40 EDAB O=C(c1ccoc1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccncc1 96201025 GMGIIAXPUKXAOF-MSOLQXFVSA-N 341.411 1.833 0 40 EDAB O=C(CN1CCC[C@@](O)(c2cnn[nH]2)C1)NCc1cccc(Cl)c1 583617875 COJXDCHQOJUHCS-INIZCTEOSA-N 349.822 1.058 0 40 EDAB CC(=O)N1C[C@@H](NC(=O)CCc2cnn(C)c2)CC[C@@H]1C(F)(F)F 583618400 TWSVSYVKKXGISI-QWHCGFSZSA-N 346.353 1.411 0 40 EDAB CCCCS[C@H](C)C(=O)N1CCS(=O)(=O)c2c1c(C)nn2C 584907222 QZENBUPCZULYBP-LLVKDONJSA-N 345.490 1.771 0 40 EDAB CCOCC(=O)N1CC2(C[C@@H](CCOc3ccccn3)CCO2)C1 248241063 BQRBAOGHQNMJEU-HNNXBMFYSA-N 334.416 1.895 0 40 EDAB C[C@@H](Cn1ncc2ccccc21)C(=O)N1CSC[C@@H]1C(=O)N(C)C 241701747 QKWZJBIJZPTZKF-SWLSCSKDSA-N 346.456 1.662 0 40 EDAB COc1ccccc1COC[C@H](O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245237769 VZMRGJQRKIUMBD-BZUAXINKSA-N 345.395 1.524 0 40 EDAB O=C(Cc1ccccc1F)N1CCOC[C@H](Cc2ccncn2)C1 257272381 NCEPNHFZHPKUNZ-CQSZACIVSA-N 329.375 1.876 0 40 EDAB CSCC[C@H](NC(=O)COc1ccc2c(c1)C(=O)CC2)C(=O)O 256028029 PACUMTQQFNKZCA-ZDUSSCGKSA-N 337.397 1.517 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)Cn2nc(C)cc2C)C1 257219822 DIHMAOXHNJCVAG-HNNXBMFYSA-N 342.447 1.813 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1CCc1ccccc1 257311656 UKMTVWGRLZXUES-CQSZACIVSA-N 335.429 1.429 0 40 EDAB Cc1cccc(CN2CC[C@@](C)(O)[C@H](n3cc(C)c(O)nc3=O)C2)n1 257306594 SUZCOSGHKFVMAP-CRAIPNDOSA-N 344.415 1.159 0 40 EDAB COCC(=O)N1CCC(Cc2cncc(-c3ccnn3C)n2)CC1 257251498 JQZWMIOGPWKQIT-UHFFFAOYSA-N 329.404 1.305 0 40 EDAB Oc1ncc(CN2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)c(O)n1 257234743 GUXFPSMINLZAIZ-GJZGRUSLSA-N 349.362 1.431 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257264251 LTPHUIHPYMZVMH-CQSZACIVSA-N 347.346 1.609 0 40 EDAB C[C@@]1(NC(=O)c2ccc(CS(C)(=O)=O)o2)CCCC[C@H]1C(=O)O 262726358 GRGYFAWKILCLTM-XHDPSFHLSA-N 343.401 1.588 0 40 EDAB CO[C@@H]1C[C@@H](CC(=O)O)N(C(=O)Cc2cccc3cccnc23)C1 262993755 KHQCSESVXAZIPJ-LSDHHAIUSA-N 328.368 1.868 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)N1CCC(CN(C)C)CC1 1615614026 DIQFFQLJQIBSNP-IBGZPJMESA-N 331.460 1.596 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@@H]2NCCC1CC(O)C1 1616036237 QXZIDULTAHNSEQ-GULCKSEBSA-N 340.464 1.906 0 40 EDAB COC(=O)[C@H]1C[C@H](Sc2ncnn2C)CN1C(=O)OC(C)(C)C 1616036224 HWXKXRCSZPFWRJ-VHSXEESVSA-N 342.421 1.458 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)[C@@H]2CNC(=O)c3ccccc32)C[C@H]1C1CC1 600080531 DAVXSANAAARQLV-OWCLPIDISA-N 342.395 1.171 0 40 EDAB O=S(=O)(c1ccccc1F)N1CC[C@H](Oc2ncc(F)cn2)C1 390827423 GZZIICFJUDZPCE-NSHDSACASA-N 341.339 1.597 0 40 EDAB COc1cccc(S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1 96122029 BQRZCNMFSKIUDS-UHFFFAOYSA-N 347.458 1.139 0 40 EDAB Cc1ccc(OCC(=O)N2CC3(C[C@H](CO)CN3CC3CC3)C2)cc1 585093920 PNJQXLHIRCZEOZ-KRWDZBQOSA-N 344.455 1.679 0 40 EDAB CO[C@]1(CCC(N)=O)CCCN(C(=O)c2cnc(C3CC3)nc2)C1 585279705 XTDYNZZZROMFNT-KRWDZBQOSA-N 332.404 1.241 0 40 EDAB CN(Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCc2nccn2C)[C@@H]1O 585280856 QKKBTVIJFDYSET-NUJGCVRESA-N 342.443 1.308 0 40 EDAB CCCn1cc(CN(C)C[C@@H]2COC[C@@H](O)[C@H]2O)c2ccccc21 585291160 LZBHEFXFJKBGBH-LZQZEXGQSA-N 332.444 1.851 0 40 EDAB Cc1nc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)sc1C 44892132 ITMYYOMLPRLWDJ-UHFFFAOYSA-N 339.442 1.979 0 40 EDAB Cc1cc(C(=O)N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)nc2ccccc12 1553845528 JJCLFWJDYKATGE-HUUCEWRRSA-N 335.411 1.844 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OC[C@@H]2CCCO2)C1=O 71881727 VVCQCKJRESIUBQ-KBXCAEBGSA-N 346.383 1.566 0 40 EDAB Cc1nc([C@H]2CCCN2CC(=O)NCCOc2ccccc2)no1 75573065 CJUKQHQNSILOIN-OAHLLOKOSA-N 330.388 1.710 0 40 EDAB O=S(=O)(C1CCCCC1)N1CCC(Oc2cccnn2)CC1 96119381 MNFZBWDGUXQSKM-UHFFFAOYSA-N 325.434 1.982 0 40 EDAB O=C(NCC(=O)N1CC[C@@H](Oc2nccs2)C1)c1ccccc1 585320627 LUUVWWSSRGWKGE-CYBMUJFWSA-N 331.397 1.553 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)NCC1(OCCO)CCCC1 888107042 KFQNRKDUUKKZFJ-UHFFFAOYSA-N 343.445 1.604 0 40 EDAB O=C(c1cccnc1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615153362 KIIFUUFLAURADA-DLBZAZTESA-N 336.432 1.616 0 40 EDAB COC(=O)c1c(NC(=O)[C@H](C)n2cncn2)c2ccccc2n1C 1615589043 VWNQICDLTXPDHF-JTQLQIEISA-N 327.344 1.756 0 40 EDAB CNC(=O)C(C)(C)CN[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1616041311 OHUVJYRMHWKYQZ-LBPRGKRZSA-N 327.469 1.994 0 40 EDAB Cc1cnn(CC(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)c1 19239902 VLAVGPKTSDPNCK-AWEZNQCLSA-N 341.415 1.101 0 40 EDAB CN1C[C@H](C(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)CC1=O 19289538 FDICMUHBNISIQJ-SECBINFHSA-N 345.428 1.083 0 40 EDAB O=C(C1CCOCC1)N1CC[C@@H](c2cc3ncccc3c(=O)[nH]2)C1 19345387 GMAFUZJVMNUMRN-CYBMUJFWSA-N 327.384 1.666 0 40 EDAB COc1nn(Cc2cc(=O)[nH]c(NC(C)C)n2)c(=O)c2ccccc12 19717426 XYPQVCWZYMWFPH-UHFFFAOYSA-N 341.371 1.357 0 40 EDAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 1888853230 WWNRNRATKCHQAY-LLVKDONJSA-N 330.392 1.433 0 40 EDAB Cc1nccc(N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)n1 1888863638 GKPYFQDKNYZBJU-GASCZTMLSA-N 336.443 1.945 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)C1 24954919 TYPNHRFNPJRYAP-CHWSQXEVSA-N 349.456 1.944 0 40 EDAB COC(=O)c1cc(NCC(=O)NC(=O)NC(C)C)ccc1Cl 29942622 WUIATAFMBTUKTO-UHFFFAOYSA-N 327.768 1.773 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 1426211 KJDDUQTZDLHZEF-UHFFFAOYSA-N 348.380 1.918 0 40 EDAB CCOC(=O)Cc1csc(NS(=O)(=O)c2cn(C)nc2C)n1 11923768 XFXVHVIXHNHJDD-UHFFFAOYSA-N 344.418 1.091 0 40 EDAB O=C(NCc1ccccc1)N1CCN(c2ccc3nncn3n2)CC1 13700316 XCZKRCGJFWCTTP-UHFFFAOYSA-N 337.387 1.156 0 40 EDAB Cc1nnc2ccc(OCCNC(=O)Nc3ccc(F)cc3F)nn12 13843464 ZZFBEAKMBUTCJH-UHFFFAOYSA-N 348.313 1.911 0 40 EDAB O=C(NC[C@H](c1ccco1)N1CCOCC1)C(=O)NC1CCCCC1 22769318 IIKOIWBWZPENKX-OAHLLOKOSA-N 349.431 1.218 0 40 EDAB CSc1ncccc1C(=O)N1CC[C@@H](N2C(=O)CSC2=O)C1 206977795 JUHSLGWWEZCJTO-SECBINFHSA-N 337.426 1.713 0 40 EDAB O=C(Nc1nccs1)c1cn(C[C@H]2CCCO2)cc2c(=O)[nH]nc1-2 38670624 CDVASVUSDHOJJR-SECBINFHSA-N 345.384 1.564 0 40 EDAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)NC3CC3)C2)cc1 42384768 SDEAVZCLTLDVHW-LBPRGKRZSA-N 330.388 1.308 0 40 EDAB C[C@@H](C(=O)N[C@@H]1CCSC1=O)n1nc(-c2ccccc2)ccc1=O 44395713 GAJUACOCXOTSLC-SMDDNHRTSA-N 343.408 1.620 0 40 EDAB C[C@@H](C(=O)Nc1cccc2nsnc12)n1nc2c(cc1=O)CCC2 575620407 QPTXMHKZAUEXON-VIFPVBQESA-N 341.396 1.936 0 40 EDAB C[C@H](N)C(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 248378384 JJGKMUOINUOBSS-QEJZJMRPSA-N 328.416 1.268 0 40 EDAB Cn1cc(-c2cncc(N3CCN(C[C@H]4CCCOC4)CC3)n2)cn1 2298181575 VBPQSUHFPPIAQR-OAHLLOKOSA-N 342.447 1.426 0 40 EDAB O=C(NC[C@@]1(OCCO)CCOC1)Nc1cccc(C(F)(F)F)c1 665129539 BNQQVTIUBAFMFE-AWEZNQCLSA-N 348.321 1.995 0 40 EDAB CCN1CCc2c(sc(NC(=O)c3cc(C)nn3C)c2C(N)=O)C1 11613301 ZWCYFWBAWNXUDE-UHFFFAOYSA-N 347.444 1.519 0 40 EDAB O=C(NC[C@H](O)Cn1ccccc1=O)c1cc(Cl)ccc1Cl 96124346 ALFTYANSLAGOBP-NSHDSACASA-N 341.194 1.946 0 40 EDAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cc(OC)ccc1OC 100420788 QERLXPBRNGASQE-NSHDSACASA-N 348.355 1.225 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H](c3nncn3C)C2)c1 40527198 HKSHTQOMDQGJLL-GFCCVEGCSA-N 338.408 1.831 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)NCCc1c(F)cccc1F 51274988 LMOFMKMAUCZXEE-UHFFFAOYSA-N 349.403 1.136 0 40 EDAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CCO)CCO 11566244 LFWIODHOSNFBDI-UHFFFAOYSA-N 337.825 1.022 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CN2CCn3c(C)nnc3C2)c1 69632762 QDYTYOZRAFKRSL-UHFFFAOYSA-N 328.355 1.026 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)NCCC(=O)Nc1ccccn1 45828973 BQFLHWSQSCRHBV-UHFFFAOYSA-N 341.367 1.888 0 40 EDAB CCn1c(=O)c2c(nc(SCc3ccccc3F)n2C)n(C)c1=O 887131 RXIYFCOASLEALK-UHFFFAOYSA-N 348.403 1.885 0 40 EDAB O=C1CCCN1CCCNS(=O)(=O)c1cccc(Cl)c1F 32411131 FZEZWFWOSAAKCZ-UHFFFAOYSA-N 334.800 1.770 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1 6625465 OQDSUMMOTFAHHR-LBPRGKRZSA-N 349.412 1.073 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)c1 7304242 AQLRLIJEZFIVRO-CQSZACIVSA-N 331.459 1.467 0 40 EDAB CN(C)C(=S)SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 7978664 WLTPUWLQNKJEMS-UHFFFAOYSA-N 343.499 1.854 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 103322692 VGSQJDMHUSYELY-VDQHWBOFSA-N 338.404 1.097 0 40 EDAB NC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1 32822908 BVORFEYLMXDABT-UHFFFAOYSA-N 339.399 1.530 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)C[C@@H](NC(C)=O)c1cccs1 32879632 ULHYWFYTONFFGL-ZYHUDNBSSA-N 325.434 1.346 0 40 EDAB COc1cccc(-c2noc(C(=O)NCc3cn(C)nc3C)n2)c1 2733042 HJEYBPOMESRRLA-UHFFFAOYSA-N 327.344 1.717 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1c(C)csc1=O 8345565 OTPSOUQFPIRGNY-CYBMUJFWSA-N 348.424 1.907 0 40 EDAB C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(F)cc1Cl 32929507 QFGBZBHZPXFBCO-JTQLQIEISA-N 336.816 1.478 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCCOc2cccc(C(F)(F)F)c2)C1 46941187 JVXQXYTUQZQBRZ-SNVBAGLBSA-N 345.321 1.601 0 40 EDAB Cc1c([C@H](C)NC(=O)N2CCN(Cc3ccco3)CC2)cnn1C 47007124 PWGJTBGECUUKGZ-ZDUSSCGKSA-N 331.420 1.910 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(CCC(=O)NC2CCCCC2)CC1 69707288 NKYVTLGPXRZBHG-QGZVFWFLSA-N 339.524 1.850 0 40 EDAB O=C1NC(=O)[C@@H]2[C@@H]1[C@@H](c1ccccc1F)NN2Cc1ccccc1 102914539 FIYHYPXIGUPSJU-XHSDSOJGSA-N 325.343 1.528 0 40 EDAB Cc1nnc(NC(=O)CS(=O)(=O)CCCc2ccccc2)s1 33245773 MPPSQUUEBTYSQQ-UHFFFAOYSA-N 339.442 1.833 0 40 EDAB COc1ccc(CC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 41673586 LTMYMDUJPXOJQI-AWEZNQCLSA-N 340.445 1.026 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccn2)cc1 12534500 RZQOQHJLZVIROB-NSHDSACASA-N 347.396 1.590 0 40 EDAB CCn1ccnc1SCC(=O)N(CCC(N)=O)c1ccccc1 12540285 PRKWMZYDTQABAI-UHFFFAOYSA-N 332.429 1.904 0 40 EDAB CS[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 53679039 UMMBITXJKCBRNF-JTQLQIEISA-N 328.459 1.495 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cn1 23269137 WLLNWJSFOORSLS-UHFFFAOYSA-N 346.387 1.626 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)C[C@@H]1N1CCOCC1 76051835 SJALWSBMRQJELL-UNEWFSDZSA-N 343.427 1.292 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N3C[C@H](C)[C@@H](N(C)C)C3)cnc12 76051066 GMHUHRGRKONDKG-HOCLYGCPSA-N 342.443 1.504 0 40 EDAB O=C(CSc1n[nH]c2nc3ccccc3n12)NC(=O)c1ccco1 23873183 GLBSWMRPBRUCRU-UHFFFAOYSA-N 341.352 1.852 0 40 EDAB Cc1n[nH]c([C@H]2CN(CC(=O)N(C)Cc3ccccc3)CCO2)n1 76047964 NRYFHSNBUVCRBI-OAHLLOKOSA-N 329.404 1.145 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCC2(C1)OCCO2)c1cccs1 76019239 GYBUYWBLMMHCPL-LBPRGKRZSA-N 325.434 1.509 0 40 EDAB COC(=O)CC[C@H](NC(=O)c1ccc(=O)n(C)c1)c1ccccc1 105987829 CWCRTIAVAFODJZ-HNNXBMFYSA-N 328.368 1.810 0 40 EDAB C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1NS(C)(=O)=O 24894959 ZWWNHNLTUJVDAW-JTQLQIEISA-N 341.433 1.547 0 40 EDAB FC(F)(F)CCN1CCN(c2cc(N3CCOCC3)ncn2)CC1 77318539 DMXVOONHEFRHRI-UHFFFAOYSA-N 345.369 1.388 0 40 EDAB O=C(CO)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1 78469833 IZJWDWIBOWSUAJ-UHFFFAOYSA-N 346.408 1.907 0 40 EDAB COc1ccccc1-c1noc(CN2CCN(C[C@H](C)O)[C@H](C)C2)n1 106868060 IQDXYIYTPCZYCL-KGLIPLIRSA-N 346.431 1.632 0 40 EDAB COCCN(C)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 56587344 ZIRDOFSZWHMMPX-UHFFFAOYSA-N 337.376 1.090 0 40 EDAB CCCCNC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 26939409 QUNQHJHJZYNGRW-CYBMUJFWSA-N 349.456 1.764 0 40 EDAB CCNS(=O)(=O)c1ccc(C(=O)n2nc(N)c3ccccc32)cc1 57964013 ATRVUWYRFFUONW-UHFFFAOYSA-N 344.396 1.605 0 40 EDAB COc1ccccc1[C@H](CNC(=O)c1ccc(O)nn1)N1CCCC1 27569587 UAVARLXYUQRAAN-HNNXBMFYSA-N 342.399 1.758 0 40 EDAB C[C@@H](CNC(=O)CN(C)CC(=O)N(C)C)c1nc2ccccc2s1 58209236 IQENZNTXWSMQQD-LBPRGKRZSA-N 348.472 1.536 0 40 EDAB COc1ccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 58203251 FCGDYHPNOBJLIA-GFCCVEGCSA-N 327.406 1.241 0 40 EDAB CCN(CC)C(=O)NC[C@@H](C(=O)N1CCOCC1)c1ccccc1 69880452 CCYZKGAKROZAJY-MRXNPFEDSA-N 333.432 1.680 0 40 EDAB NS(=O)(=O)C[C@@H]1CCCN1CCC(=O)Nc1cccc(Cl)c1 69841833 XYVBVPULJYCJHD-ZDUSSCGKSA-N 345.852 1.422 0 40 EDAB CN(C)c1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cn1 48260662 TXHADPWXTLIQOR-UHFFFAOYSA-N 327.392 1.292 0 40 EDAB Cc1csc(=O)n1CCC(=O)NCCN1C[C@@H](C)C[C@@H](C)C1 44940232 GMSBGMUDXNCKCS-BETUJISGSA-N 325.478 1.702 0 40 EDAB CCn1cnnc1CNC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 44970850 BYYZKMKMFGQTOW-CQSZACIVSA-N 333.367 1.720 0 40 EDAB NC(=O)CC1CCN(CC(=O)N2CCSc3ccccc32)CC1 44951143 NSYQSMWERLRYEO-UHFFFAOYSA-N 333.457 1.713 0 40 EDAB CCOC(=O)CN(C)C(=O)COc1ccccc1Br 69898063 MVUFYTDSACRWKC-UHFFFAOYSA-N 330.178 1.849 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCNC(=O)c2ccco2)n1 44953246 MIKYEYWZCWTHBJ-LBPRGKRZSA-N 332.404 1.665 0 40 EDAB O=C(CCn1cccn1)NC[C@H](c1cccs1)N1CCOCC1 44917003 ORLSFOMUIABOPZ-CQSZACIVSA-N 334.445 1.524 0 40 EDAB NC(=O)[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)c1ccc(F)cc1 10373337 RSVQLCOOVJNLHF-HNNXBMFYSA-N 340.314 1.790 0 40 EDAB C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H](C)C(N)=O 48294363 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COC[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 408603839 GFZBEUWVNIGPJN-LLVKDONJSA-N 348.852 1.566 0 40 EDAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C)cc1OC 20721418 KQFWALLSFDQXFZ-UHFFFAOYSA-N 329.356 1.260 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2nsnc2c1 13729970 YSBDJAQBIWSBMC-LLVKDONJSA-N 333.417 1.230 0 40 EDAB CCNC(=O)CN(C)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 65554650 WSRVVTLYIUDMAF-UHFFFAOYSA-N 346.427 1.864 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)[C@H](C)C(=O)N1CCC(C)CC1 65593676 SHKCQUNMAPSWBC-CYBMUJFWSA-N 328.434 1.853 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)NCCSc2ccccc2)C1=O 9053112 LWFUHBQPIZNDRZ-AWEZNQCLSA-N 349.456 1.861 0 40 EDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1ccc(Cl)c(Cl)c1 6662104 ACOUTAHIHHHGKA-VHSXEESVSA-N 337.253 1.854 0 40 EDAB COCc1nnc(NC(=O)c2ccc(C)c(C)c2-n2cnnn2)s1 71280232 XRRMGRHLLWFWAA-UHFFFAOYSA-N 345.388 1.529 0 40 EDAB COc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 5917004 WETAEZHEJUPLKT-UHFFFAOYSA-N 334.397 1.202 0 40 EDAB CCOc1cc(C(=O)OCC(=O)NC)cc(Br)c1OC 5972223 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Cc1noc([C@H](C)N2CCN(CCC(=O)NC3CCCC3)CC2)n1 69442840 AEYOVTIDFTTXBI-ZDUSSCGKSA-N 335.452 1.506 0 40 EDAB COCC(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 69464149 UXGUSHJWGDRJNA-UHFFFAOYSA-N 334.397 1.750 0 40 EDAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NN2CCCCC2)c2ccccc21 9304487 GGEKPEMJSCFWNO-OAHLLOKOSA-N 344.415 1.116 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CC2)nn1 71860381 NFJMXTUYZZUIKV-HZPDHXFCSA-N 340.431 1.361 0 40 EDAB C[C@H](C(=O)NCc1cccs1)N1CCCC[C@@H]1Cn1cncn1 71876250 CERVTXFMZNKFCU-ZIAGYGMSSA-N 333.461 1.899 0 40 EDAB COc1ccc(NC(=O)C(=O)N(C)CCN(C)c2ccccc2)cn1 71886788 ZRWRGLGWSKIYCK-UHFFFAOYSA-N 342.399 1.624 0 40 EDAB O=C(NCCS(=O)(=O)N1CCSCC1)c1ccc(Cl)cc1 71884343 YNNWKTWZQNFBJJ-UHFFFAOYSA-N 348.877 1.448 0 40 EDAB C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)Cc1cscn1 71828264 LKDOCBVCNHTGGH-ZDUSSCGKSA-N 346.460 1.102 0 40 EDAB O=C(c1cnc2nc(O)[nH]c(=O)c2c1)N1CCC[C@H]1C1CCCC1 71820111 GHWQJBNAMLJPIG-ZDUSSCGKSA-N 328.372 1.819 0 40 EDAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1CCc1ccccc1 32788932 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339.111 1.983 0 40 EDAB Cc1nc2ccccc2n1CCn1nnc(-c2ccc(C(N)=O)cc2)n1 95981501 LAWYVHNYVJKJEH-UHFFFAOYSA-N 347.382 1.797 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccnc(-n2cncn2)c1 95956197 UPUCYIXKBUCYEX-JTQLQIEISA-N 325.376 1.504 0 40 EDAB Cn1ccnc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1=O 85733506 KRKZKKDMIVZXJE-HNNXBMFYSA-N 326.400 1.631 0 40 EDAB CNS(=O)(=O)c1ccc(NCc2ccc(-n3cccn3)cc2)nc1 89395842 DUIPBFSMQVEFOI-UHFFFAOYSA-N 343.412 1.788 0 40 EDAB COCCOc1ccc(NC(=O)NC[C@@](C)(O)CSC)cn1 75143748 BIDQRCWXRDLTAT-CQSZACIVSA-N 329.422 1.342 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H](C)c1cccnc1 75121452 JHUUWZXYRJHPHB-LBPRGKRZSA-N 349.394 1.955 0 40 EDAB C[C@@H]1CCO[C@@H]1C(=O)NS(=O)(=O)c1c(Cl)ccc(F)c1F 408490353 AKJHIRVFBGATGL-LDWIPMOCSA-N 339.747 1.848 0 40 EDAB COCCN1CCC[C@@H](NS(=O)(=O)c2cccc3c2OCC3)C1 521394841 UXDQNTBXGCADRH-CQSZACIVSA-N 340.445 1.011 0 40 EDAB O=C(O)[C@@]1(C(=O)NCc2cc3n(n2)CCC3)C[C@@H]1c1ccccc1 1553331641 XCCNFGPIZLRSGA-QAPCUYQASA-N 325.368 1.704 0 40 EDAB Cc1ccc(-c2csc(NC(=O)C[C@H](NCCO)C(=O)O)n2)cc1 72439256 UKWJCLAHISMVOC-LBPRGKRZSA-N 349.412 1.482 0 40 EDAB CN(C)C(=O)CN1CCCC[C@H]1C1CCN(c2ncccn2)CC1 72368939 OYYGXWNOECCNSB-INIZCTEOSA-N 331.464 1.636 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cc([C@H]3CCCN3C)ccn2)CC1 72387220 GVTVEAYXNBOVER-QGZVFWFLSA-N 330.432 1.543 0 40 EDAB NC[C@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218058706 PUTKWDGOBAMMIB-PMPSAXMXSA-N 336.844 1.936 0 40 EDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)c1cccc(Br)c1 76585561 RAQVSFOYZOBLSB-MRVPVSSYSA-N 332.219 1.890 0 40 EDAB O=C(NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)c1ccncc1 566265413 CLSCFIAOYDHSDF-YJBOKZPZSA-N 336.395 1.959 0 40 EDAB Cn1nccc1[C@H]1[C@H](N[C@@H]2CCCOCC2)CCC(=O)N1C1CC1 567929420 SZKJZUKHXGUYTH-DDUZABMNSA-N 332.448 1.773 0 40 EDAB O=C1CCSC[C@@H](C(=O)Nc2cnn(Cc3ccccc3F)c2)N1 226753900 UMZSPKIGOBNCFD-AWEZNQCLSA-N 348.403 1.631 0 40 EDAB COC(=O)[C@@H](C)Sc1nnc(NC(=O)c2snnc2C)s1 43939664 GYLHTKHKJALVGI-RXMQYKEDSA-N 345.431 1.604 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 223280746 MOVWBFNJFHTURL-UHFFFAOYSA-N 334.397 1.637 0 40 EDAB C[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C)C(=O)NCCF 225693832 MVBWFCBYXUZXER-AVGNSLFASA-N 331.432 1.601 0 40 EDAB CC(C)(C(=O)O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 571169601 UZQQYECEGMKJGJ-UHFFFAOYSA-N 344.364 1.415 0 40 EDAB C[C@@H](c1ccccc1)N1Cc2nc(N3CCN(C)CC3)ncc2C1=O 46087093 MGJNODKKQBFCGG-AWEZNQCLSA-N 337.427 1.945 0 40 EDAB O=C(NCc1nnnn1CC1CC1)N1CCOC[C@H](C2CCC2)C1 575187860 ZIKJXIJHLLJASN-CQSZACIVSA-N 334.424 1.041 0 40 EDAB Cc1csc([C@@H]2CN(C(=O)NCCCn3ccnn3)CCO2)n1 194354017 AYLFTZZEAQRGLR-LBPRGKRZSA-N 336.421 1.216 0 40 EDAB O=C(CCCc1cn[nH]c1)N1C[C@H](CO)C[C@H](CN2CCCC2)C1 91452417 IAIQHWSXNPIYER-IAGOWNOFSA-N 334.464 1.285 0 40 EDAB O=C(c1cscn1)N1CCO[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96108094 QDDHEVSVCPGQML-CZUORRHYSA-N 344.440 1.511 0 40 EDAB CN(C)C(=O)N1CCC2(CC1)CO[C@H](COCC1CCOCC1)C2 96106077 JNIJGBQDBUUCRV-INIZCTEOSA-N 340.464 1.982 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)C1CCN(c3ncccn3)CC1)C2 97198734 PFJVVYDJMOGAQI-OAHLLOKOSA-N 340.431 1.329 0 40 EDAB Cc1cc(Br)ccc1CNS(=O)(=O)[C@H]1CCOC1 96411388 ZMQYNCBLGDFDSO-LBPRGKRZSA-N 334.235 1.966 0 40 EDAB COc1ncccc1C(=O)N1CC[C@H]2C[C@H](c3noc(C)n3)O[C@@H]2C1 96070637 YVITWRZZPMVWHU-IACUBPJLSA-N 344.371 1.774 0 40 EDAB O=C([C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccccn2)O1)N1CCOCC1 96057497 RYENQZPXTHUYTQ-BRWVUGGUSA-N 331.416 1.062 0 40 EDAB Cn1ccc(C(=O)N2Cc3cncn3C[C@@H](COCC3CC3)C2)n1 96207683 UCGJNNOMEPOFSD-AWEZNQCLSA-N 329.404 1.315 0 40 EDAB O=C(Nc1cccc(Cl)c1)N1CC[C@@H]2CNS(=O)(=O)[C@@H]2CC1 96145346 KXWIKGFDOHLHCU-ZWNOBZJWSA-N 343.836 1.886 0 40 EDAB C[C@H]1CN(Cc2ccc(CN(C)[C@H]3CCN(C)C3=O)cc2)C[C@@H](C)O1 583651288 KFSRIIBXPAQBIM-FCEWJHQRSA-N 345.487 1.958 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)n1C 583619210 SXZPMPNOBWHTHA-MLGOLLRUSA-N 329.404 1.159 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCN(c3nccn3C)CC2)n1 96436885 NCWDJTUVNQIBEG-UHFFFAOYSA-N 332.408 1.208 0 40 EDAB CN1C(=O)C2(CCN(S(=O)(=O)N(C)C)CC2)[C@@H]1c1ccccc1 96080441 RZNNBHSQOIJDCJ-AWEZNQCLSA-N 337.445 1.088 0 40 EDAB COc1ccc(CCC2CCN(CCS(N)(=O)=O)CC2)cc1 96411881 OXSHWJWUKNHIDV-UHFFFAOYSA-N 326.462 1.628 0 40 EDAB O=C(Nc1cnn(CC(F)F)c1)N1CC[C@@H](CN2CCOCC2)C1 97101298 AIEFDOPWMJGDTM-LBPRGKRZSA-N 343.378 1.334 0 40 EDAB COCCNC(=O)[C@@H]1CN(Cc2ccsc2)Cc2ncn(C)c21 248022236 IDVDIJVAGFHZEB-CYBMUJFWSA-N 334.445 1.344 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2cccs2)Cc2ccnn21 248051608 XOCAOWFQTBCFON-CQSZACIVSA-N 334.445 1.606 0 40 EDAB CC(=O)N1[C@@H](CNC(=O)c2ccncn2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257230237 GBJYKXCAQGBFQU-NYCLONFESA-N 346.431 1.137 0 40 EDAB O=C(COc1ccccc1Cl)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257257713 KQUSWTRZKHTELH-CKEIUWERSA-N 338.835 1.823 0 40 EDAB COc1ccc([C@H]2CN(Cc3cncnc3)CCN2C(C)=O)cc1 257319698 VTQWRWMCMLFHNP-GOSISDBHSA-N 326.400 1.891 0 40 EDAB Cc1ccc(CN2CCC[C@]2(C(=O)N(C)C)c2cnccn2)cn1 257285553 PHSASOUSMCTRTJ-GOSISDBHSA-N 325.416 1.760 0 40 EDAB NS(=O)(=O)CCCCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 585137117 JESXLTREASWVIP-ZJUUUORDSA-N 345.387 1.475 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)Cc1ccccc1F 257238652 HLYCLWIIOAJPNN-GOSISDBHSA-N 342.374 1.422 0 40 EDAB O=C(CCCn1cccn1)NC[C@]1(O)CCCN(c2ccccn2)C1 257257837 KRHHQOSIAMMWBY-GOSISDBHSA-N 343.431 1.206 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)Cc2ccsc2)C1 257210020 BSUKJZSRRYFPPH-NSHDSACASA-N 339.442 1.433 0 40 EDAB C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 262876918 MZKQTFOGXAODJY-LURJTMIESA-N 327.280 1.521 0 40 EDAB COCc1ncc(C(=O)N[C@@H]2COc3c(OC)cccc3C2=O)s1 1614681810 QQHDDZYRDWAVLU-SNVBAGLBSA-N 348.380 1.672 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc3cc[nH]c3cn2)C1 606444824 MTVQESZRUSSKNS-LBPRGKRZSA-N 336.417 1.563 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)Cn3ccnc3C)CC2)c(C)o1 297997692 ZLPKDERSSKKGJK-UHFFFAOYSA-N 330.388 1.386 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c(C)o1 390829873 HFGSPLXOHXNTEO-LBPRGKRZSA-N 326.360 1.343 0 40 EDAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)Cn2ncccc2=O)C1 575414519 JHTNKUXWFFNEQB-CQSZACIVSA-N 337.383 1.375 0 40 EDAB Cc1cncc(C(=O)N2C[C@H]3OC[C@@H](CN4CCCC4=O)[C@H]3C2)c1 575406262 WJJWHNRUDMNXOV-BZUAXINKSA-N 329.400 1.099 0 40 EDAB O=C(c1csnn1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 585108843 ULDLWOBTWBYLSR-SOUVJXGZSA-N 346.412 1.522 0 40 EDAB Cc1ncc(CN2CCO[C@@](CO)(Cc3cccc(F)c3)C2)cn1 585275608 HFXLGLYXCUQWCJ-SFHVURJKSA-N 331.391 1.730 0 40 EDAB CC(=O)N1CCCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 44951516 QKPDLAIVQSLDEQ-UHFFFAOYSA-N 331.420 1.768 0 40 EDAB Cn1ccnc1[C@](O)(CCNC(=O)Nc1ccncc1)C(F)(F)F 45715695 GQVGOZSQGQAVSP-CYBMUJFWSA-N 343.309 1.777 0 40 EDAB CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C(N)=O)C2)cn1 48280230 WBHXNJKOUFGCRT-AWEZNQCLSA-N 333.436 1.335 0 40 EDAB Cc1[nH]c2ccc(CNC(=O)N3CCO[C@@H](C(N)=O)C3)cc2c1C 51713295 LCWDWLLHAZDKIA-OAHLLOKOSA-N 330.388 1.180 0 40 EDAB COc1ccc(Cl)cc1NCC(=O)NCCNc1ncccn1 63863501 FJLABUIQXQRJBL-UHFFFAOYSA-N 335.795 1.779 0 40 EDAB Cc1ccoc1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 65626977 FKVYLKXHHNDRKC-UHFFFAOYSA-N 341.411 1.662 0 40 EDAB COCc1cn([C@@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)nn1 1565522932 BRFJQXFOMDELOX-OAHLLOKOSA-N 336.417 1.201 0 40 EDAB COCc1nc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)cs1 76056729 BKOACQSINAOTJO-AAEUAGOBSA-N 325.434 1.082 0 40 EDAB CCOC(=O)[C@H]1[C@@H](c2ccc(O)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859079 RSUAGPSEDHULFZ-BREBYQMCSA-N 348.277 1.176 0 40 EDAB Cc1ncsc1C(=O)N1CCc2nc3ccsc3c(=O)n2CC1 12753420 MYEJTIWHZZOHGP-UHFFFAOYSA-N 346.437 1.921 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccn2)cc1 17167993 CYUXTKJZXBJVIJ-LBPRGKRZSA-N 349.412 1.073 0 40 EDAB Cc1cccn(CC(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1=O 583621248 DQIULSKYFXSWDC-CZUORRHYSA-N 348.349 1.769 0 40 EDAB CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H](C)c2ccccc2)nn1 1032706234 IDFGZYPZNGDTCF-KBMXLJTQSA-N 325.416 1.958 0 40 EDAB O=C(C1CC(F)(F)C1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888865577 ANUPBMOLQMIFAD-RYUDHWBXSA-N 348.357 1.064 0 40 EDAB CSc1nc(C)cc(N2CCN(S(=O)(=O)C3CC3)CC2)n1 1889136037 HALOAZZPBJTZRS-UHFFFAOYSA-N 328.463 1.121 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 1848352317 YZVFPJXKIYBVCH-CQSZACIVSA-N 325.372 1.819 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CCC(n2nccn2)CC1 238884659 PUVVXNWGRVUHRS-UHFFFAOYSA-N 329.360 1.554 0 40 EDAB COc1ccc(OC)c(CN2CCO[C@]3(CCCCN(C)C3=O)C2)c1 2037983942 LNTXXHRZGWHVKN-LJQANCHMSA-N 348.443 1.917 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)C1(F)CC1)C2 1565553015 GSNXTAWLLVJYJE-RHSMWYFYSA-N 331.391 1.781 0 40 EDAB O=C(CC1(O)CCC1)N1CCOC[C@H]1c1nccc(NC2CCC2)n1 1565546217 VXUJJUODQFOXOD-AWEZNQCLSA-N 346.431 1.646 0 40 EDAB Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCCO3)c1 8961792 AZAXVDGNVIWPNO-UHFFFAOYSA-N 332.381 1.918 0 40 EDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)c2cccc(F)c2)CC1 2055772651 JQZXZDNSIYGMGM-UHFFFAOYSA-N 344.390 1.742 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(CF)C2)cc1 412534244 ZAQVQNZGNJDWBX-UHFFFAOYSA-N 328.409 1.759 0 40 EDAB CN(C)c1ccnc(N2CCC(Oc3ccn4nccc4n3)CC2)n1 2298212789 QFCOCTOUSYDTEM-UHFFFAOYSA-N 339.403 1.633 0 40 EDAB Cc1cc(CN2CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)no1 32759786 IDZWUSXZWQJHCN-UHFFFAOYSA-N 345.428 1.599 0 40 EDAB Cc1noc(C)c1CC(=O)NCCCN(C(C)C)S(C)(=O)=O 40535261 KECXRUFKJHOLPV-UHFFFAOYSA-N 331.438 1.010 0 40 EDAB CCN(CCNC(=O)CCN1C(=O)CCC1=O)c1ccccc1C 40534751 KUEOPFLTYCJARH-UHFFFAOYSA-N 331.416 1.477 0 40 EDAB CN(C)CC(C)(C)CNC(=O)CCc1nc(-c2cccnc2)no1 40510983 LCCJRICAKUPIOG-UHFFFAOYSA-N 331.420 1.768 0 40 EDAB COc1ccc(NC(=O)NC(=O)COC(=O)c2cnc(C)cn2)cc1 11481084 LHCVIQFORIQVJQ-UHFFFAOYSA-N 344.327 1.299 0 40 EDAB Cn1ncc2c(SCn3nnc4ccccc4c3=O)ncnc21 11676773 MDHVIPXJXGFSTB-UHFFFAOYSA-N 325.357 1.218 0 40 EDAB CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7668164 WKFYBYWQNQAYNF-UHFFFAOYSA-N 326.418 1.665 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCc2ccnc(OC3CCCC3)c2)C1 45927391 UWVPFECXDKINQL-CYBMUJFWSA-N 332.404 1.420 0 40 EDAB COc1cccc(Cn2cc(NS(=O)(=O)c3cnn(C)c3)cn2)c1 2804695 QJHJYNAJGVJGGP-UHFFFAOYSA-N 347.400 1.474 0 40 EDAB Cc1ccc(OCC(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 101336762 ACVVNKAIKGVJEY-MGBSGCIJSA-N 340.379 1.521 0 40 EDAB CCCNC(=O)COC(=O)c1cc2c(=O)n3ccccc3nc2s1 2623759 LTPWIJJYSNTBAG-UHFFFAOYSA-N 345.380 1.592 0 40 EDAB CC(=O)NCCSC(=O)CCCCC(=O)SCCNC(C)=O 4416556 DPQQGRSVLVBIAT-UHFFFAOYSA-N 348.490 1.339 0 40 EDAB O=C(NCC1(c2ccc3c(c2)OCO3)CC1)N1CCC(CO)CC1 69619544 RXZURGRCDYRIHN-UHFFFAOYSA-N 332.400 1.861 0 40 EDAB O=S(=O)(N[C@H](CO)Cc1ccccc1)c1cc(F)c(F)c(F)c1 89830162 JNGSAQHEWDPPCI-NSHDSACASA-N 345.342 1.986 0 40 EDAB Cc1ccc(-c2cnc(CCC(=O)N3CC[C@H](C(N)=O)C3)o2)cc1 41129215 NXIVMPZPXZKABI-AWEZNQCLSA-N 327.384 1.916 0 40 EDAB CCOc1cc2c(cc1CNc1ccc3nnnn3n1)O[C@@H](C)C2 32871861 ATIFJYNKTHXVPY-JTQLQIEISA-N 326.360 1.854 0 40 EDAB COC[C@@]1(CNC(=O)c2cnc(C)nc2N)OCCc2ccccc21 517267910 ODILNHXGQKDUDV-GOSISDBHSA-N 342.399 1.212 0 40 EDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCc1noc(C)n1 69630607 LLXMJILLBDIAET-HNNXBMFYSA-N 329.356 1.957 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)c1 46869331 JLJJYJCDPJHYOW-CQSZACIVSA-N 346.364 1.574 0 40 EDAB Cc1ccc2nc(COC(=O)CN3C(=O)c4ccccc4C3=O)cn2c1 9913042 FUODAHQAWDVOTA-UHFFFAOYSA-N 349.346 1.982 0 40 EDAB CCc1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1 22134260 ZXDPMRKVXFYIEU-UHFFFAOYSA-N 329.385 1.692 0 40 EDAB CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(N)=O 83984592 DONNOBDZPDWEJM-SNVBAGLBSA-N 334.235 1.528 0 40 EDAB COc1cc(/C=C/c2cc(=O)n3[nH]cnc3n2)cc(OC)c1OC 103602762 XEZYWIBPKRHROW-SNAWJCMRSA-N 328.328 1.614 0 40 EDAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)N1CCSCC1 53818665 HXNJRGLCSSDDDJ-NSHDSACASA-N 334.397 1.344 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(N)c2c(C)c(C)sc2n1 12545280 PUFIRYBGKILWEE-SSDOTTSWSA-N 339.446 1.827 0 40 EDAB COc1ccc(OCC(=O)NCCn2ncc3c2c(C)nn3C)cc1 57279764 XILMQSAYHCGRKU-UHFFFAOYSA-N 343.387 1.282 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2CCc1ccncc1 12522509 VCBHRIJYKKZFFJ-UHFFFAOYSA-N 331.441 1.937 0 40 EDAB O=C(CNC(=O)Cc1cccc2ccccc12)NCCn1ccnc1 42756727 JMIQAVIZBYBPOY-UHFFFAOYSA-N 336.395 1.511 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1=O 24183788 VZWUVIGWELFYBR-HZMBPMFUSA-N 347.337 1.508 0 40 EDAB CCOc1ccc(CCC(=O)NC2CCN(CC(N)=O)CC2)cc1 55164354 LTAVUKQAJUODID-UHFFFAOYSA-N 333.432 1.084 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N3CCN(CC(C)(C)O)CC3)ccc21 106399282 UHYCRLUBGHYRNM-UHFFFAOYSA-N 345.443 1.124 0 40 EDAB CC(C)(CNC(=O)Nc1nnc(C2CC2)s1)N1CCOCC1 43360248 CALAHPDKLUAGJG-UHFFFAOYSA-N 325.438 1.648 0 40 EDAB O=C(CCNc1ncccn1)N1CCN(Cc2cscn2)CC1 55438034 NXTSYEZJDAPZHD-UHFFFAOYSA-N 332.433 1.080 0 40 EDAB COc1ccc(CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 106905393 ZGARWGKOPOOKMF-RDJZCZTQSA-N 333.432 1.400 0 40 EDAB CC(=O)N[C@@H](CC(=O)N1CCC(C(N)=O)CC1)c1ccc(C)cc1 25379834 RLLFRNINMPWIGS-INIZCTEOSA-N 331.416 1.286 0 40 EDAB O=C(Nc1cccc(OCCn2cccn2)c1)N[C@H]1CCCNC1=O 75582216 MWVNJWNYUDWQNB-HNNXBMFYSA-N 343.387 1.362 0 40 EDAB CCc1nc(CN2CCCN(Cc3nnc(C4CC4)o3)CC2)no1 75603272 XWEFROUKLLVEEX-UHFFFAOYSA-N 332.408 1.600 0 40 EDAB CC(C)NC(=O)NC(=O)[C@H](C)Sc1nnc(NC2CC2)s1 7853972 YDDUKBBLLAQCFV-ZETCQYMHSA-N 329.451 1.827 0 40 EDAB CCc1nc(CCNC(=O)NC[C@@H](O)c2cnn(C)c2)sc1C 76086601 BBXWBDWSMUAIOU-CYBMUJFWSA-N 337.449 1.323 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCCNC(=O)C(C)(C)C 76086777 SWHLHBQJODEKGO-NSHDSACASA-N 337.468 1.429 0 40 EDAB CC(=O)N1CCN(CCNC(=O)C2=C(C)Oc3ccccc3C2)CC1 76060972 HFJXPFYKJXIIAF-UHFFFAOYSA-N 343.427 1.176 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@H](c1ccc(C)cc1)NC(=O)N2 57531447 CPNIQJUPIHXXEV-INIZCTEOSA-N 329.400 1.872 0 40 EDAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 37866470 GCGMPWGQRXTVMA-STGWMILLSA-N 343.379 1.983 0 40 EDAB O=C(c1cnccn1)N1C[C@@H]2OCC(=O)N(CC3CCCCC3)[C@@H]2C1 67897458 LQAURYUCZLVMKO-CVEARBPZSA-N 344.415 1.109 0 40 EDAB biogenic,in-vitro Cc1c(O)ccc2c(CN3CCC[C@H]3C(=O)N(C)C)cc(=O)oc12 27566677 VIHFHSURGVDVLR-AWEZNQCLSA-N 330.384 1.860 0 40 EDAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)CCNC(=O)[C@@H]1C[C@H]1C 58245386 QKSILMAXTRHYMQ-ZWNOBZJWSA-N 327.388 1.881 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNCCS(=O)(=O)c1ccccc1)CN2 58296361 CRKBIUALYPFVQI-AWEZNQCLSA-N 334.445 1.297 0 40 EDAB CCOC[C@H]1CCN(C)C2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)C2 306143749 YLJBKUOXPNDLKE-MAUKXSAKSA-N 344.455 1.949 0 40 EDAB CSc1nc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c2ccccn12 58430210 VXLLGBYPGLGHFE-OLZOCXBDSA-N 346.456 1.649 0 40 EDAB Cc1cc(C)c(CNC(=O)CCc2ccc3c(c2)OCO3)c(=O)[nH]1 10763700 NMFSIIVLHZUSAH-UHFFFAOYSA-N 328.368 1.969 0 40 EDAB CCN1CCN(S(=O)(=O)c2ccc(OCCOC)c(C)c2)CC1 48265162 RHGBBZLRTYHNQN-UHFFFAOYSA-N 342.461 1.346 0 40 EDAB COC(=O)c1ccc(NC(=O)N[C@@H](C)CN2CCCC2=O)c(C)c1 48278348 AOZRDWFSESDRQS-LBPRGKRZSA-N 333.388 1.914 0 40 EDAB CC(C)[C@H](C)NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 10911187 YRTBIWZUZFWIMD-QMMMGPOBSA-N 333.310 1.127 0 40 EDAB CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 48312265 JDASJNBWQAQFMB-UHFFFAOYSA-N 344.742 1.773 0 40 EDAB COc1ccc(OC)c([C@@H](C)NC(=O)c2nc3nccc(C)n3n2)c1 48374327 GXYKKSBINRBTJU-LLVKDONJSA-N 341.371 1.941 0 40 EDAB COc1cc(C(=O)O[C@H]2C[C@H](C)OC2=O)c(N)cc1OC(F)F 58932584 FEDZBHWDRJSIJK-KGFZYKRKSA-N 331.271 1.740 0 40 EDAB O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)N1CCOCC1 48325124 ZADFAWAAARKDTN-GFCCVEGCSA-N 332.422 1.529 0 40 EDAB COC(=O)C[C@H](NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(=O)OC 36558981 LMYZZFMHOYGRJD-RQJABVFESA-N 327.421 1.916 0 40 EDAB biogenic,in-vitro COc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccccc2)c1 408554821 UQZLKAKSEQXEBC-UHFFFAOYSA-N 327.340 1.389 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)COc3ccccc3)CCO2)n1 76046029 PNMDWBVBIIDNKB-AWEZNQCLSA-N 330.388 1.736 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(-n2cnnn2)cc1 3416992 PRZSZNSROZFWMD-CHWSQXEVSA-N 343.387 1.609 0 40 EDAB CNC(=O)NC(=O)COC(=O)c1ccccc1NCc1ccco1 3496675 ZBDFTZNLWUFJPM-UHFFFAOYSA-N 331.328 1.504 0 40 EDAB COc1cccc(OCC(=O)N2CCN(Cc3ccncc3)CC2)c1 48495839 OGILTJNVJYRKLA-UHFFFAOYSA-N 341.411 1.813 0 40 EDAB Cc1n[nH]c(=O)c2c(NC(=O)CN3C[C@@H](C)O[C@H](C)C3)oc(C)c12 28623415 PBIBAHCQGWXCNE-RKDXNWHRSA-N 334.376 1.181 0 40 EDAB COc1ccccc1[C@H]1CCCN1S(=O)(=O)N1CCOCC1 69130530 MDJPDILBWKECDT-CQSZACIVSA-N 326.418 1.409 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CCCN(c3ncccn3)C2)no1 76043093 FTJVZRDSLBBWOC-KBPBESRZSA-N 342.403 1.748 0 40 EDAB CCC(O)(CC)CNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1 70040230 ZMVMOBZJTUXDFK-UHFFFAOYSA-N 343.449 1.408 0 40 EDAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(N)=O 6049581 JICGFYICHPDSJT-LBPRGKRZSA-N 326.780 1.513 0 40 EDAB Cc1cccc(N2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)c1C 13947396 SEMJUHSDHSOTFJ-UHFFFAOYSA-N 348.472 1.856 0 40 EDAB CC1=NN(C(=O)c2ccn(Cn3cccn3)n2)[C@@](O)(C(F)(F)F)C1 6395143 ALAHSSJEXOHMPR-LBPRGKRZSA-N 342.281 1.058 0 40 EDAB Cc1cc(C)c2c(c1)N(CN1CCN(C(=O)C(C)C)CC1)C(=O)C2=O 14094140 RLPSVWHTXHKKRE-UHFFFAOYSA-N 343.427 1.590 0 40 EDAB CCc1ccc(S(=O)(=O)NC[C@@H](C)N2CCN(C)CC2)s1 78049961 NOTGVRYNXOWLFG-GFCCVEGCSA-N 331.507 1.225 0 40 EDAB CN(C)C(=O)[C@@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1 14023534 ICFPSCDKAZBQQS-KRWDZBQOSA-N 340.379 1.948 0 40 EDAB COc1ccccc1COC[C@H](O)CN1CCN(CC(C)C)CC1 65550828 BGYSAUFQXKFWIC-GOSISDBHSA-N 336.476 1.846 0 40 EDAB COc1ccc(Br)cc1CN(C)C(=O)Cn1cnnn1 14183692 RFWNPRVABAIBNT-UHFFFAOYSA-N 340.181 1.103 0 40 EDAB CN(C)C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 21410562 SUWIISCKIOAHBK-INIZCTEOSA-N 336.395 1.956 0 40 EDAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)N1c2ccccc2NC(=O)C1(C)C 14120851 CVMGSOZUFVIFQL-MRVPVSSYSA-N 346.416 1.631 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)c1cn(-c2ccc(F)cc2)nn1 65605859 QWNKFVCZNWLZBQ-LLVKDONJSA-N 331.351 1.147 0 40 EDAB COc1cc(C(=O)N[C@@H](C)c2nnc3n2CCC3)cc2c1OCCO2 65621256 KPFZYJKXUIPRDL-JTQLQIEISA-N 344.371 1.495 0 40 EDAB Cc1ccnc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c1 69435305 XPSGYXCRFRRCEH-CQSZACIVSA-N 344.415 1.045 0 40 EDAB CN(CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 69489151 QUBSJBFCBLFQCL-QGZVFWFLSA-N 344.459 1.064 0 40 EDAB COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)N2CCCCC2)c1 6862064 PDSZIDGMIAOSOE-AWEZNQCLSA-N 333.432 1.967 0 40 EDAB CCN(CC)CCNC(=O)c1cc(Cl)ccc1NS(C)(=O)=O 69570821 ZOTCXKGNGSWBHI-UHFFFAOYSA-N 347.868 1.783 0 40 EDAB CCN(CC)C(=O)CNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C 67235626 PCAKIBPYBGDGFM-CYBMUJFWSA-N 341.452 1.761 0 40 EDAB CCOC(=O)c1sc(NC(=O)CSc2cn[nH]n2)nc1C 7344275 LBIYFZBMKREVJQ-UHFFFAOYSA-N 327.391 1.477 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCc2cccc(Cl)c2)C1=O 7478899 RVPAJVWZFVKABY-QGZVFWFLSA-N 349.818 1.719 0 40 EDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)C(C)C)C2=O)cc1 8734584 ITMZGUUFGQINCF-XIKOKIGWSA-N 347.415 1.623 0 40 EDAB CC(C)N1C(=O)C(=O)N(CC(=O)N2c3ccccc3CC[C@H]2C)C1=O 9744699 RIIVMUCDJFBJBL-GFCCVEGCSA-N 343.383 1.554 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H](C(=O)O)c1ccccc1 9054200 VCSKWIAMNNLHKC-MRXNPFEDSA-N 337.335 1.408 0 40 EDAB Cc1oc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@@H](N)CC1 72148773 RKISRDJOJWTBEX-LLVKDONJSA-N 325.390 1.745 0 40 EDAB NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)c(F)c1 78947156 LKAWAFIOTDZBIM-KCJUWKMLSA-N 329.169 1.972 0 40 EDAB COC(=O)c1ccc(CS(=O)(=O)NCCCOC(C)C)cc1 22525016 PVXUEHXGJRDIKT-UHFFFAOYSA-N 329.418 1.708 0 40 EDAB CNc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 9154944 DGYPYMZRVZOEGM-UHFFFAOYSA-N 339.442 1.873 0 40 EDAB CN([C@H]1CCNC1)S(=O)(=O)c1ccc(F)cc1Br 71310288 ZKYYJJAKVOBVBK-VIFPVBQESA-N 337.214 1.571 0 40 EDAB CCCN1C(=O)N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 9834516 FFEHAEFPHJUYQH-CQSZACIVSA-N 326.349 1.160 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC2 79101473 KXSNMVJPPLHUSI-OAHLLOKOSA-N 329.400 1.193 0 40 EDAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)N(C)CCN1CCOCC1 72274320 MNWJNDLANZIKHV-MRXNPFEDSA-N 333.432 1.711 0 40 EDAB C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC(Nc2cccnn2)CC1 71863446 AEQWUEMEEMINJS-UKRRQHHQSA-N 334.420 1.464 0 40 EDAB Cc1nc(CN2CCC[C@H](N(C)c3ncnc4c3cnn4C)C2)no1 71859525 LBLRQLQMINENLO-LBPRGKRZSA-N 342.407 1.156 0 40 EDAB NC(=O)[C@@H](CNC(=O)CCc1ccccn1)Cc1ccc(F)cc1 71842091 MSPBYCMBORWCAP-CQSZACIVSA-N 329.375 1.614 0 40 EDAB NC(=O)C1CCN(C(=O)NCCOCc2ccccc2Cl)CC1 71830921 IWVKIZXJYKMFNQ-UHFFFAOYSA-N 339.823 1.764 0 40 EDAB CCC(CC)[C@@H](O)CNC(=O)CNC(=O)c1ccccc1Cl 71898208 WLUPBVVDRNFFIZ-AWEZNQCLSA-N 326.824 1.983 0 40 EDAB O=C1CC[C@@H](C(=O)OC2=N[C@@H](C(=O)Nc3ccc(Cl)cc3)CC2)N1 72238431 QODABUYWEPGPFS-NEPJUHHUSA-N 349.774 1.661 0 40 EDAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)nn(C)c2C)c1 9689961 CKPVYUBGJPPSQA-UHFFFAOYSA-N 337.401 1.933 0 40 EDAB CCN(CC)S(=O)(=O)CCNC(=O)N1CCc2sccc2C1 72270379 IUAMIRRAUMEWBV-UHFFFAOYSA-N 345.490 1.487 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)NCc1cccc(N2CCCCC2=O)c1 72270167 VPOJMKHSRRQLPG-CYBMUJFWSA-N 344.415 1.233 0 40 EDAB CCN1C[C@H](C(=O)NCC(=O)Nc2cccc3ccccc23)CC1=O 79336547 QNXGAYRDBPOLRA-CQSZACIVSA-N 339.395 1.763 0 40 EDAB Cc1nc(CN(C)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cs1 84274692 ROXLNQGOAROXSQ-ZDUSSCGKSA-N 348.476 1.995 0 40 EDAB O=C(NC1CCN(C[C@@H]2CCOC2)CC1)NC1Cc2ccccc2C1 97140211 ZLJFJAGXJQLFOQ-HNNXBMFYSA-N 343.471 1.954 0 40 EDAB NC(=O)[C@H]1CCCN1C(=O)CCc1cc(F)ccc1Br 97107230 XTGVVSDHRRYAQL-GFCCVEGCSA-N 343.196 1.997 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)OCC3(C)COC3)ccc2c1=O 84632892 MEUXNWFEMAJLAV-UHFFFAOYSA-N 332.356 1.464 0 40 EDAB COCCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 95351146 QHLBXLPACRULBY-UHFFFAOYSA-N 325.840 1.220 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)C[C@@H]1N1CCOCC1 84735631 AOEPSLNYJFOITQ-XKQJLSEDSA-N 348.491 1.710 0 40 EDAB O=C(NCCc1nnc2n1CCCCC2)N[C@@H]1CCCCC[C@H]1CO 95410827 KUKRJMFFXAHTCS-LSDHHAIUSA-N 349.479 1.787 0 40 EDAB CC[C@H](O)CCNC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 95418766 WFQWZDHKPSCWCZ-HNNXBMFYSA-N 345.447 1.716 0 40 EDAB CC(C)(O)[C@H]1CCCN1C(=O)NCc1ccc(-n2cncn2)cc1 95939286 OXZBGESGFOUFCB-OAHLLOKOSA-N 329.404 1.712 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)CN(C)c1ncnc2[nH]cnc12 95953878 XVIRLAZBZLSXGM-UHFFFAOYSA-N 329.364 1.053 0 40 EDAB Cc1n[nH]c(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1O 89502498 BPCWMISZIOFIMH-LLVKDONJSA-N 326.360 1.838 0 40 EDAB Cc1nc[nH]c(=O)c1CCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75118066 TUGPRYNHYXCZMV-UHFFFAOYSA-N 342.277 1.357 0 40 EDAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)CCN1C(=O)CCC1=O 25125218 RKSUSFHRWCFNQI-GFCCVEGCSA-N 332.356 1.404 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](n3cccn3)C2)c2c(=O)[nH]n(C)c2n1 69485206 OBWLNGSAQQGGGK-GFCCVEGCSA-N 340.387 1.244 0 40 EDAB Cc1nn(C)c(C)c1CNCc1ccccc1S(=O)(=O)N(C)C 30658463 NIASDYLBNDVTGT-UHFFFAOYSA-N 336.461 1.577 0 40 EDAB O=C(O)c1ccc(CNS(=O)(=O)c2cccc3c2OCCO3)o1 547611589 KOKOOHOSKZDOIP-UHFFFAOYSA-N 339.325 1.228 0 40 EDAB Cn1cc([C@]2(CNC(=O)C3(O)Cc4ccccc4C3)CCCO2)cn1 1551104550 HTTNDEIBSZCEHA-LJQANCHMSA-N 341.411 1.072 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)O)c(F)c1 548528661 BLCWNIGYRJQUHN-PWSUYJOCSA-N 331.365 1.292 0 40 EDAB C[C@@H]1NCC[C@@H]1C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 514601192 FBVTWVSSQLGXFL-XIRDDKMYSA-N 325.412 1.704 0 40 EDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)o1 33732510 VQMUHXDBTDTFJA-JYRVWZFOSA-N 342.307 1.865 0 40 EDAB COc1ncccc1NC(=O)C[C@H](c1ccsc1)n1cnnn1 524732345 QKXFVWRUODHZDV-GFCCVEGCSA-N 330.373 1.756 0 40 EDAB Cc1nnc([C@@H](C)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)o1 79029715 RJBUYMKAHQLTSO-CYBMUJFWSA-N 343.431 1.868 0 40 EDAB Cn1cccc(C(=O)NCC2CCN(c3ccncc3)CC2)c1=O 70928410 ZUHCRMIQJBUGAY-UHFFFAOYSA-N 326.400 1.427 0 40 EDAB CCOC(=O)c1cc(C(=O)c2ccccc2)c2n(c1=O)CCN2C 72329872 USNXXZDNXZSSEB-UHFFFAOYSA-N 326.352 1.706 0 40 EDAB CNC(=O)CCc1cc(C)nc(C2CCN(Cc3ncc[nH]3)CC2)n1 72367036 RTPBICPGFXIRPM-UHFFFAOYSA-N 342.447 1.566 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 35099492 YFVCNOUJRMZBJC-ZXFNITATSA-N 327.336 1.371 0 40 EDAB Cc1cc(CCC(=O)NCc2ccncc2)nc([C@@H]2CCCNC2)n1 72366932 GVCZGNCDVUMQAV-MRXNPFEDSA-N 339.443 1.896 0 40 EDAB Cn1cc([C@H]2CSCCN2C(=O)NCCc2cscn2)cn1 189613305 QXXRPXVTJMETPS-CYBMUJFWSA-N 337.474 1.919 0 40 EDAB CCCS(=O)(=O)N1CCC(NCc2ccc(OC)nc2)CC1 317958783 UGEBHDQFAMQRCJ-UHFFFAOYSA-N 327.450 1.384 0 40 EDAB CC(=O)OC(C)(C)C(=O)NC[C@@](O)(c1ccccc1)C1CCOCC1 675007790 PVSVDCWLZAFSFI-LJQANCHMSA-N 349.427 1.759 0 40 EDAB Cc1n[nH]c(C)c1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 49544299 KQOZIWQEXPGPNB-UHFFFAOYSA-N 341.293 1.695 0 40 EDAB Cc1nnc(Nc2cccc([C@H]3CCCN(CC(N)=O)C3)n2)s1 72383059 HZKVVDSJFLOXQN-NSHDSACASA-N 332.433 1.650 0 40 EDAB O=C(NC[C@@H](O)c1ccco1)c1ccc(S(=O)(=O)C(F)F)cc1 78709762 JUCPVTOUVOFVSK-LLVKDONJSA-N 345.323 1.739 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CC[C@H](Oc2cccnn2)C1 225412452 WDUAXELUUBKCAH-WFASDCNBSA-N 327.340 1.296 0 40 EDAB CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 529320319 JASIOCMNXGGDTH-RQJABVFESA-N 332.429 1.969 0 40 EDAB Cc1cc(-c2csc(S(=O)(=O)N3CCN(C)CC3)c2)on1 49547631 SEYARROJQHMMID-UHFFFAOYSA-N 327.431 1.648 0 40 EDAB Cc1cc(CNC(=O)c2ccc(F)cc2F)nc(N2CCOCC2)n1 224227476 JUPBWKTZJKRRBE-UHFFFAOYSA-N 348.353 1.830 0 40 EDAB COc1ccc([C@@H](CC(=O)NCC(C)(C)C)NS(C)(=O)=O)cc1 225954042 QCGSOIBNBACIQU-CQSZACIVSA-N 342.461 1.838 0 40 EDAB C[C@@H](CN1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(F)cc1 195572842 DOMDLHNPTUNPCT-ZDUSSCGKSA-N 333.407 1.352 0 40 EDAB COc1ccc(/C=C/C(=O)NC[C@@](C)(O)CSC)cc1OC 75157269 SHCGTBFIHITXQY-IQIBNGDESA-N 325.430 1.947 0 40 EDAB COc1cccc(CN(C)C(=O)Cn2nc(C)sc2=O)c1OC 225444875 PRJUIHLGNVIUBO-UHFFFAOYSA-N 337.401 1.289 0 40 EDAB COc1c(C(=O)NCC[S@](C)=O)sc(C)c1Br 80089381 GEPUCXVOTSYCBI-QGZVFWFLSA-N 340.264 1.936 0 40 EDAB O=C(NCCN1CCOCC1)c1cc2cccc(Cl)c2oc1=O 226040900 RDOHVXQZTRNAJU-UHFFFAOYSA-N 336.775 1.508 0 40 EDAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccno1 85467610 UKLQNPSQOZEFHH-CYBMUJFWSA-N 332.335 1.180 0 40 EDAB Cn1nnnc1COc1ccc(CC(=O)NCc2cccnc2)cc1 96191968 BMOHXUJZWSAJCC-UHFFFAOYSA-N 338.371 1.043 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(CC3CCOCC3)C[C@@H]12)N1CCCC1 96057219 DPKTZECIDPQSEF-KURKYZTESA-N 336.476 1.620 0 40 EDAB CC(C)CNC(=O)[C@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96101456 GYIZIBDNGMOVQK-JTQLQIEISA-N 332.326 1.571 0 40 EDAB CN1CCN(Cc2cnc3n2CCN(C(=O)c2cccs2)C3)CC1 96061804 VNCXNZCPIBVWHG-UHFFFAOYSA-N 345.472 1.348 0 40 EDAB CN(CCCNC(=O)[C@H]1Cc2cccc(F)c2O1)C(=O)C1CCC1 96425131 BLCPDCVKWPQKHF-OAHLLOKOSA-N 334.391 1.894 0 40 EDAB O=C1[C@@H]2CCN(Cc3ccco3)C[C@@H]2OCCN1Cc1cccnc1 96107095 JHYPFRVCGGUSIM-MSOLQXFVSA-N 341.411 1.924 0 40 EDAB CCS(=O)(=O)N1CCO[C@H]2[C@@H]1CC[C@@H]2COCc1nccs1 96250089 KVVHJNISGSUSTK-MBNYWOFBSA-N 346.474 1.489 0 40 EDAB O=C(Cc1ccccc1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 96188629 FSIYQDDJQRXLAL-MRXNPFEDSA-N 336.399 1.376 0 40 EDAB Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)Nc2nocc2C)o1 583621400 DNKDLQLAAFLLRG-QWRGUYRKSA-N 338.343 1.755 0 40 EDAB O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCN(Cc2nc3ccccc3[nH]2)CC1 96483842 NGPWISBIANQUGS-CPUCHLNUSA-N 340.427 1.775 0 40 EDAB Cc1cccn(CC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1=O 583621346 UASFATIIIXKISK-HZPDHXFCSA-N 330.359 1.630 0 40 EDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)N(C)C)C2 96050178 KYKNXBDBFIKBEX-GOSISDBHSA-N 344.415 1.008 0 40 EDAB O=C(C1CCOCC1)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96062496 MUBJTDONWGAHMT-LJQANCHMSA-N 345.443 1.564 0 40 EDAB c1ccc(OC[C@@H]2CO[C@@H]3CN(c4ncnc5[nH]cnc45)C[C@H]23)cc1 96219291 SUXNSINLNPRPTH-BPLDGKMQSA-N 337.383 1.883 0 40 EDAB Cc1cc(N2CCC(NC(=O)NCc3nccn3C)CC2)nc(C)n1 96455061 MOUVLOQUBJYTMP-UHFFFAOYSA-N 343.435 1.295 0 40 EDAB Cc1ccc(N2CCO[C@@H]3CN(Cc4nccn4C)CC[C@@H]3C2)nn1 96249787 YWTIXHGWIPRSEY-HZPDHXFCSA-N 342.447 1.246 0 40 EDAB CCC[C@H]1CN(C(=O)[C@@H]2CNCc3ccccc32)CCN1CCOC 579715257 VKOQVDLKKZBMJU-PKOBYXMFSA-N 345.487 1.833 0 40 EDAB O=S(=O)(N[C@@H]1CCO[C@]2(CCN(C3CCCC3)C2)C1)C1CC1 96107925 OBRBJVKVTXZYHS-CZUORRHYSA-N 328.478 1.634 0 40 EDAB CCc1ccc(CN2Cc3c(C(=O)N4CCOCC4)nn(C)c3C2)o1 96187553 AHLBKWGQSVOMMF-UHFFFAOYSA-N 344.415 1.564 0 40 EDAB CCOC(=O)/C=C1/SCC(=O)N1CCOC(=O)c1ccccn1 97998904 YKYFBXREPITZCI-UKTHLTGXSA-N 336.369 1.218 0 40 EDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3cccc(OC)c3)[C@@H]2C1 96111063 ODOLFDSJVVWCIE-KSZLIROESA-N 348.443 1.503 0 40 EDAB Fc1cnc(N2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)nc1 96108954 IERIROSXKMSKJJ-RHSMWYFYSA-N 330.363 1.680 0 40 EDAB CN1CC2(CCN(S(=O)(=O)C3CC3)CC2)C[C@H]1COCC1CC1 96209250 IMZVFKNPQSNGND-HNNXBMFYSA-N 342.505 1.692 0 40 EDAB O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(Cc1nccs1)C2 96218709 BBNIWIFRLHCJSA-SUMWQHHRSA-N 344.440 1.555 0 40 EDAB c1ccc(CN2CCOC[C@]3(CC[C@H](Cn4cncn4)O3)C2)cc1 96160485 WMPCQOOXUXPMFM-MSOLQXFVSA-N 328.416 1.728 0 40 EDAB COC(=O)[C@@H](CCSC)NC(=O)NCCc1ccc(OC)cc1 26772178 UJXSORRZHRVPJC-CQSZACIVSA-N 340.445 1.832 0 40 EDAB biogenic O=C(NCc1nnc2ccc(-c3cccs3)nn12)[C@@H]1CCOC1 244950795 FLVNYSNINAEYOS-SNVBAGLBSA-N 329.385 1.506 0 40 EDAB N[C@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242547857 KWSKWCXUZRABRJ-ARFHVFGLSA-N 337.828 1.970 0 40 EDAB COCCNC(=O)[C@H]1CN(CCc2ccccc2)Cc2cncn21 247831620 HNEJOTUSICGZQQ-QGZVFWFLSA-N 328.416 1.245 0 40 EDAB O=C(CO)N1CCC(CCc2ccnc(Nc3cnccn3)c2)CC1 257342448 ZOQVELZNGBHVTL-UHFFFAOYSA-N 341.415 1.779 0 40 EDAB C[C@@]1(c2ccccc2)CN(C(=O)C2CN([C@H]3CCOC3)C2)CCO1 585132027 MXGWGCZEDFYTNL-HKUYNNGSSA-N 330.428 1.481 0 40 EDAB CC(C)(C)C(=O)N1CCC[C@]1(C(=O)N1CCCC1)c1cnccn1 257257774 KRAAASURZUWUPQ-GOSISDBHSA-N 330.432 1.963 0 40 EDAB Cc1cnc([C@@H]2CN(S(=O)(=O)c3ccccc3C)CCO2)cn1 257254201 KCEIGDKPLQERLE-HNNXBMFYSA-N 333.413 1.856 0 40 EDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)O)cc1 264520230 CHCGOVMEZAEORR-AWEZNQCLSA-N 334.328 1.341 0 40 EDAB COC[C@]1(C(=O)O)CCCN(C(=O)CN2CCCCCCC2=O)C1 262958358 RLFOCGBXPCDTDX-KRWDZBQOSA-N 340.420 1.119 0 40 EDAB O=C(c1ccc(O)nn1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F 585279140 VQQFUUFUAQRTOA-GJZGRUSLSA-N 331.347 1.530 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2ccsc2)[C@@H]2CCO[C@H]12 585109265 FLNQQLFZVZIADB-RBSFLKMASA-N 346.408 1.887 0 40 EDAB Cc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C 585096701 ASDRFSCWLGDQGU-MRXNPFEDSA-N 342.443 1.933 0 40 EDAB CS(=O)(=O)c1cccc(OCC(=O)NC(=O)Nc2ccccc2)c1 42178892 CYJDUOBAHUBGCI-UHFFFAOYSA-N 348.380 1.817 0 40 EDAB CCCNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 44914291 FOBZEYAIIFXJMB-UHFFFAOYSA-N 349.206 1.468 0 40 EDAB CCC[C@@H]1NC(=O)N(CCCS(=O)(=O)c2ccc(F)cc2)C1=O 58064911 ZWWGPOAUXWEGJS-ZDUSSCGKSA-N 342.392 1.710 0 40 EDAB NC(=O)C1CCN(c2ncccc2CNC(=O)NC2CCCC2)CC1 69631064 QFZITGIEHOTGIQ-UHFFFAOYSA-N 345.447 1.525 0 40 EDAB Cc1nccn1[C@H]1CCCN(C(=O)c2cccc(OCC(N)=O)c2)C1 69778768 GOBORKPEMAPDPO-HNNXBMFYSA-N 342.399 1.533 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1ccnn1C(C)C 69923689 MVIWXFLYYGBVBY-HOTGVXAUSA-N 347.463 1.878 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCN(c2ccncc2CO)CC1 891507889 ITYCRBZTMYFAOM-UHFFFAOYSA-N 347.440 1.226 0 40 EDAB CCn1cnc2c(N3CCN(c4nc(C)cc(C)n4)CC3)ncnc21 272859441 QEEBCJSZKHWCEY-UHFFFAOYSA-N 338.419 1.580 0 40 EDAB CCOC(=O)[C@H]1C(=O)N[C@H]2CCC(=O)C[C@@]21c1ccc2c(c1)OCO2 5028795 CGRUAOXPPAGOCD-HDMKZQKVSA-N 345.351 1.084 0 40 EDAB CC(C)CCNC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 11591258 LGZDQZTXGJCWIH-SFHVURJKSA-N 345.399 1.379 0 40 EDAB CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(C)C1 12529839 HMZMROLFERHJLR-STQMWFEESA-N 330.392 1.584 0 40 EDAB biogenic,in-vitro COc1ccc(COC[C@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 12796919 DSTFGZORWFAQKY-RDTXWAMCSA-N 348.399 1.293 0 40 EDAB CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C(C)=O)C2 19501402 HPRBYXMXKQRZDY-OAHLLOKOSA-N 346.431 1.528 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)nn1 225437126 VOCXMONEJJYKFL-LLVKDONJSA-N 330.344 1.644 0 40 EDAB CCOc1ccc(NC(=O)C[C@@H](C(=O)O)N2CCN(C)CC2)cc1 22584901 IUFNAPQKPZGWJU-HNNXBMFYSA-N 335.404 1.115 0 40 EDAB Cc1cn2nc(N3CCN(Cc4c(C)noc4C)CC3)ccc2n1 1888882277 QJOKGFPEKGDVFA-UHFFFAOYSA-N 326.404 1.965 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(c2ccc(C(C)(C)C)nn2)CC1 1888890147 ZRRBHDBTJZJWPW-AWEZNQCLSA-N 333.480 1.809 0 40 EDAB CC[C@]1(C)NC(=O)N(NC(=O)COc2ccccc2Cl)C1=O 28988059 YBRNAQOQQXALAF-AWEZNQCLSA-N 325.752 1.471 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 32518609 TVNGHKZBQSTPBJ-UHFFFAOYSA-N 334.372 1.762 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2Cc3ccccc3O2)cc1 33112559 ICIRTRUIUOCWLJ-AWEZNQCLSA-N 331.393 1.824 0 40 EDAB O=C(c1cccnc1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037840908 VJFJZKXKANVKDA-IBGZPJMESA-N 337.379 1.730 0 40 EDAB O=C(C1CC(O)C1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 1565554131 RKUMHNYFHZOICI-UYSNPLJNSA-N 328.412 1.280 0 40 EDAB O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 3881884 SGHPRHVRHUWVMB-OAFZBRQQSA-N 338.363 1.577 0 40 EDAB COc1cccc(NC(=O)C(=O)NCC2(N3CCOCC3)CCC2)c1 1775973448 CIHZKGRFONMYMX-UHFFFAOYSA-N 347.415 1.005 0 40 EDAB COc1ccnc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)n1 1775973644 PWBRUTLQJRQZIW-UHFFFAOYSA-N 328.420 1.899 0 40 EDAB Cc1nc(CN2CCN(c3ncnc(C(C)(C)C)c3F)CC2)no1 1775973247 CYSTXEREGHPEFH-UHFFFAOYSA-N 334.399 1.927 0 40 EDAB Cn1/c(=N/C(=O)c2ccco2)sc2cc(S(C)(=O)=O)ccc21 100859749 QFLDEBMAZYZWJT-PFONDFGASA-N 336.394 1.977 0 40 EDAB O=C(CCS(=O)(=O)c1ccccc1)NCCn1ccn2nccc12 206744881 BCCJKQSEORNVKO-UHFFFAOYSA-N 346.412 1.116 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](Oc2ncccn2)C1 575609942 CENARDYYABQKNK-CYBMUJFWSA-N 337.376 1.766 0 40 EDAB CC(C)[C@@H](Cn1cncn1)NC(=O)c1cc(-c2cccnc2)on1 575615833 IRSZNTPRZXIWPO-CQSZACIVSA-N 326.360 1.783 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCC(N3C(=O)COC3=O)CC2)c1 585327071 ZYGDALRIDGLYNU-UHFFFAOYSA-N 338.385 1.127 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)c3ccccn3)n2)cn1 225816127 RSPJNNIXGGMOKC-UHFFFAOYSA-N 325.328 1.855 0 40 EDAB Cc1nc(CNC(=O)CCN2CCN(c3ccccn3)CC2)oc1C 73026586 IXHAPHVZAJHZFP-UHFFFAOYSA-N 343.431 1.515 0 40 EDAB Cc1ccc([C@@](O)(CCNC(=O)c2ccc[nH]c2=O)C(F)(F)F)o1 30597311 ATTCBZFJPYTMRV-AWEZNQCLSA-N 344.289 1.846 0 40 EDAB CC(=O)N1CCC(C(=O)Nc2ccc(N3CCOCC3)cn2)CC1 30974066 GYMUYZFYQFPNID-UHFFFAOYSA-N 332.404 1.115 0 40 EDAB CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@H]2C)c1 40458875 WDKLPCPAHAOHRT-LLVKDONJSA-N 326.418 1.618 0 40 EDAB Cc1cc(=O)c(C(=O)NCCN(C)C)nn1-c1ccc(Cl)cc1 40467564 PUQPAUJUUQQRJS-UHFFFAOYSA-N 334.807 1.486 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2ccc(Cn3cncn3)cc2)C[C@@H](C)O1 40489273 BWBHFDUNVJZVJQ-HUUCEWRRSA-N 343.431 1.165 0 40 EDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1 156434 JOMGEJMZXGVLDW-UHFFFAOYSA-N 330.365 1.148 0 40 EDAB Cn1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1=O 45641075 DWGXVDUBGQBYNV-SFHVURJKSA-N 326.396 1.971 0 40 EDAB CCCc1cc(NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)n(C)n1 91093857 SSAFEJYZTFVQEF-ZDUSSCGKSA-N 345.407 1.033 0 40 EDAB COC(=O)[C@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C 11501789 QYWGOWZIZQGYIB-CABZTGNLSA-N 335.385 1.981 0 40 EDAB CN1CCc2c(sc3c2c(N2CCCCC2)nc2nnnn23)C1 20519028 KUPMYLZGUBGJBI-UHFFFAOYSA-N 329.433 1.712 0 40 EDAB CCOC(=O)N[C@@](Nc1ncccn1)(C(=O)OCC)C(F)(F)F 1856271 TYUUFIAXAXBDLC-NSHDSACASA-N 336.270 1.456 0 40 EDAB Cc1cnc(NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)s1 46017041 XWRPEAYDVXGBHO-JTQLQIEISA-N 329.385 1.728 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(Cc3ncc(C(C)(C)C)o3)C2=O)cn1 101645709 UQODBECNOSHQSI-GFCCVEGCSA-N 330.388 1.823 0 40 EDAB O=C(C[C@@H](NC[C@@H]1CCCO1)C(=O)O)Nc1cccc(Cl)c1 4280005 QWUVENMKKQCXCW-QWHCGFSZSA-N 326.780 1.890 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NO[C@H]3CCCCO3)CC2=O)cc1 69619713 YFYIKXGIVGKFMC-YOEHRIQHSA-N 348.399 1.618 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCCc1cccs1 21297479 OQWJTCWHXXPEBA-UHFFFAOYSA-N 329.381 1.110 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 6326606 SGWFVNBZGKOXCF-UHFFFAOYSA-N 334.825 1.399 0 40 EDAB COc1cc(NC(=O)CSc2n[nH]c(N)n2)cc(OC)c1OC 6372538 MRLVVRZISVSTSD-UHFFFAOYSA-N 339.377 1.144 0 40 EDAB N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)C(=O)NC(N)=O 6970351 LZNPBZWKLLYNKH-YFHOEESVSA-N 325.284 1.487 0 40 EDAB O=C(NCCc1nc2c(s1)CCCC2)[C@@H]1CCS(=O)(=O)C1 69653190 HQCSDVNZKSIMMB-SNVBAGLBSA-N 328.459 1.115 0 40 EDAB O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1ccc(Cl)cn1 32789082 QWHVCTFBTFIXBA-UHFFFAOYSA-N 330.735 1.116 0 40 EDAB O=C(O)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)s2)CCO1 91293881 LTPOYFMVMYBUOX-SSDOTTSWSA-N 325.795 1.266 0 40 EDAB CCOc1cc(CNCCCN(C)C)cc(Cl)c1OCC(N)=O 8253755 OWENLAFLASAZDT-UHFFFAOYSA-N 343.855 1.644 0 40 EDAB CCOCCOC(=O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 69600481 HZUDODCOVBZPIV-HNNXBMFYSA-N 341.429 1.038 0 40 EDAB O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1CCO 32932720 OGNWHAZWHWHABE-UHFFFAOYSA-N 330.771 1.857 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCCCS(=O)(=O)Cc2ccccc2)c1 52824755 SZAFNPGLDVHMGN-UHFFFAOYSA-N 348.424 1.952 0 40 EDAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 546254 FOFPUQIHAQCUQV-UHFFFAOYSA-N 325.372 1.284 0 40 EDAB O=C(NCc1ccccc1)[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]1O2 107264946 NKXARDJFJUTCQM-GBESFXJTSA-N 337.423 1.987 0 40 EDAB CC(=O)N[C@H](CC(=O)NCCCN1CCCC1=O)c1ccc(C)cc1 22626829 RNLPDCRDZIMGAP-QGZVFWFLSA-N 345.443 1.691 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1Cc1nnc(-c2ccccc2)o1 22719333 XZRCDJAVEAMMBS-HNNXBMFYSA-N 330.369 1.664 0 40 EDAB Cc1cnn(C[C@@H](C)NC[C@@H](O)c2ccc(S(C)(=O)=O)cc2)c1 69600114 RARNAEQDZJHMAK-CZUORRHYSA-N 337.445 1.307 0 40 EDAB CN1CCN(C[C@H](O)CN(C)C(=O)Nc2cccc(Cl)c2)CC1 69665263 PSEOZERRANGFQU-OAHLLOKOSA-N 340.855 1.412 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccccc1Br 8510821 OHERKCDKFZQFRM-UHFFFAOYSA-N 349.250 1.596 0 40 EDAB CN(CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccccc1F 42327664 ISXMOCYGOWTTIL-UHFFFAOYSA-N 343.406 1.396 0 40 EDAB O=C1COc2ccc(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2N1 89800361 GVUIZKNILKKEED-LYRGGWFBSA-N 328.368 1.705 0 40 EDAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc2oc(=O)ccc2c1 59422908 CVZZFCZNGOSKHK-UHFFFAOYSA-N 325.324 1.965 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(C3CC3)on2)cc1 24594901 ITGYMNXGDLOPOI-UHFFFAOYSA-N 335.385 1.172 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 106077864 HHRLVCCQEQAXKO-MCIONIFRSA-N 348.534 1.001 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)c1cc(=O)c2ccccc2o1 47121854 BOHDXGJZYSZTLU-UHFFFAOYSA-N 347.334 1.699 0 40 EDAB CS(=O)(=O)NCCC(=O)NCCc1ccccc1Br 61557703 XVKQXYYONCOIIJ-UHFFFAOYSA-N 349.250 1.047 0 40 EDAB C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1CCOc1ccccc1 106929556 PDWFORXAMTUHKR-IEBWSBKVSA-N 333.476 1.402 0 40 EDAB CCCc1ccccc1NCC(=O)N1CCN(S(C)(=O)=O)CC1 56397934 VBCFRCZTKVRORX-UHFFFAOYSA-N 339.461 1.155 0 40 EDAB CC[C@](C)(c1nnnn1-c1ccc(OC)c(OC)c1)N1CCOCC1 35622278 DFFZFRNDJXPKCI-QGZVFWFLSA-N 347.419 1.637 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)N1CCOCC1 58078219 HROWAFUMSXVXFN-CABCVRRESA-N 342.443 1.990 0 40 EDAB NC(=O)NC(=O)CN1CCC[C@H]1[C@@H]1CCCN(Cc2ccccc2)C1 58006978 ONWDBBYWDFZNKM-SJORKVTESA-N 344.459 1.558 0 40 EDAB Cc1sc2nc(CN3CCOCC3)nc(NCCCO)c2c1C 44866702 WEGCSBBRGYMQSI-UHFFFAOYSA-N 336.461 1.935 0 40 EDAB C[C@H](CNS(=O)(=O)c1cccc(F)c1F)CN1CCCC1=O 58296061 BOKWUJTVWPOXPC-SNVBAGLBSA-N 332.372 1.502 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CNc1ccn(CC(N)=O)n1 58281150 OOPKZSVCOWYPMC-UHFFFAOYSA-N 337.767 1.081 0 40 EDAB CN1N=C(C(=O)NCc2cnn(Cc3ccccc3)c2)CCC1=O 44941616 WCRZAWFSXCHGKQ-UHFFFAOYSA-N 325.372 1.156 0 40 EDAB CC(C)CC[C@H](C)NC(=O)CS(=O)(=O)c1nnc2ccccn12 44948154 DCUQRLMLHCVORM-LBPRGKRZSA-N 338.433 1.444 0 40 EDAB CCOc1ccc(S(=O)(=O)[C@@H](C)C(=O)N2CCOCC2)cc1 44947563 SVMPSORIBNSWEC-LBPRGKRZSA-N 327.402 1.106 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1C 44911921 DEIJICZQONZALU-CQSZACIVSA-N 347.440 1.748 0 40 EDAB C[C@H](C(=O)NC(C)(C)C)N1CCC(C(=O)NCc2ccco2)CC1 58311616 UFAVVCSDVVKGIZ-CYBMUJFWSA-N 335.448 1.911 0 40 EDAB CCO[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2C(=O)OC)C1 58326026 JBZZGCUNUYWKRD-CYBMUJFWSA-N 341.429 1.971 0 40 EDAB COc1cc(OC)nc(NC(=O)CN2c3ccccc3C[C@H]2C)n1 10519822 YROQWLWZUMSKKT-LLVKDONJSA-N 328.372 1.884 0 40 EDAB CCCCNc1nnc(SCc2cc(=O)n(C)c(=O)n2C)s1 10539049 ZPSSUWKTBPKCAC-UHFFFAOYSA-N 341.462 1.440 0 40 EDAB Cc1csc(CNS(=O)(=O)CCn2cnc3ccccc32)n1 36397583 YUMWGLJXZDUBBK-UHFFFAOYSA-N 336.442 1.921 0 40 EDAB O=C(COC(=O)c1cc2c(s1)CCC2)N[C@@H]1CCCCNC1=O 58639945 GEYUIVDMVACZKO-LLVKDONJSA-N 336.413 1.179 0 40 EDAB COCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 28468874 UMLDCKFCCDQPQN-UHFFFAOYSA-N 326.418 1.755 0 40 EDAB COC(=O)CSCCNC(=O)N[C@H]1CCCc2c1cnn2C 69700468 WWNUCZQIPVYJIN-NSHDSACASA-N 326.422 1.003 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H]1CCc2ccccc21 69328377 FOZRLXNXFTUINR-INIZCTEOSA-N 336.395 1.986 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)nc2n1 48271109 LDWKYHBSYWNPQG-STQMWFEESA-N 344.463 1.839 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)COCC(F)(F)F)cn2)CCO1 48287165 SDEAULGJSPBJCI-LLVKDONJSA-N 347.337 1.502 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCc3ccccc32)C1 48261942 OMFJMUXRVGXRPR-DZGCQCFKSA-N 337.445 1.397 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 48363136 RNDORFGCHFZYRW-CYBMUJFWSA-N 347.415 1.666 0 40 EDAB Cc1nc2ccccc2n(Cc2ccc(S(=O)(=O)N(C)C)o2)c1=O 48345986 ORDFUXBKLGDTIB-UHFFFAOYSA-N 347.396 1.597 0 40 EDAB NC(=O)NC(=O)CNc1cc(Cl)ccc1OCC(F)(F)F 12806704 MBJGWCMGEFMNED-UHFFFAOYSA-N 325.674 1.888 0 40 EDAB Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)[C@@H]2C[C@@H]2C)c1C 12916439 MNYNBLBCWBVDIN-GXTWGEPZSA-N 331.416 1.473 0 40 EDAB C[C@@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)NC(N)=O 12977886 XPMIPNZLJTUVOY-SNVBAGLBSA-N 342.355 1.101 0 40 EDAB C[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C[C@@H](C)O1 4166350 PEDJSUQELMFYGY-SNUQEOBHSA-N 345.399 1.089 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CN2CCC[C@H]2Cn2cncn2)c1 69597716 ONUFPSWXRBZPQN-ZDUSSCGKSA-N 342.382 1.366 0 40 EDAB C[C@H](NC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)NC(C)(C)C 69562517 CXLLBOYZXZTWJU-VHSXEESVSA-N 348.403 1.831 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)N[C@H]3CCSC3=O)CC2=O)cc1 5060862 RIIUVDSZFGQUCH-GWCFXTLKSA-N 334.397 1.196 0 40 EDAB CCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1OC 4368742 LTTKQMFGTVLQCU-CQSZACIVSA-N 329.360 1.924 0 40 EDAB COc1cc(CCC(=O)OCC(=O)NC2CC2)cc(OC)c1OC 6380784 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Cc1ccc(C)c(S(=O)(=O)NCCc2nnc3ccccn23)c1 5483931 ZMWXVCFZLRRGDE-UHFFFAOYSA-N 330.413 1.867 0 40 EDAB O=C(Cc1ccccc1)NCCNC(=O)N1CC[C@@H](N2CCCC2)C1 66192483 NHUWROCMHLISRE-QGZVFWFLSA-N 344.459 1.225 0 40 EDAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)N1CCc2ccccc2C1 29629353 USZRAORZJZQKQR-UHFFFAOYSA-N 347.440 1.934 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)OC(C)(C)C 15402605 NKUJQCCWFIWNDR-UHFFFAOYSA-N 340.445 1.641 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(C)n(CC)c2C)C1 92771703 BPCMTAMUPWPDNQ-ZDUSSCGKSA-N 327.450 1.279 0 40 EDAB COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(OC)c(OC)c1 7246370 DEGXRHWZEJRMAA-GFCCVEGCSA-N 345.417 1.570 0 40 EDAB Cn1cc(CCC(=O)N2CCN(C(=O)c3ccsc3)CC2)cn1 80411525 YCUURWDABBYXOF-UHFFFAOYSA-N 332.429 1.399 0 40 EDAB COCCCNC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 28208302 XKRPLPITEYAHSB-UHFFFAOYSA-N 328.434 1.022 0 40 EDAB C[C@H](Sc1nnnn1Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 9376874 SFOMQUBVDLNLKB-JSGCOSHPSA-N 347.444 1.497 0 40 EDAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCCCCC1 71795039 VIPCFUYMDAPQHU-MRXNPFEDSA-N 336.457 1.776 0 40 EDAB CC(C)(C)NCCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 71794507 DGDLFOPKMKVINE-INIZCTEOSA-N 331.460 1.582 0 40 EDAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(CCO)CC1 75572361 GALDIHGRBVHYRS-UHFFFAOYSA-N 334.807 1.480 0 40 EDAB Cc1ccc(CC(=O)N2CCC(c3nnc4n3CCC4)CC2)cn1 71819890 PRZCDVLQJGKJCG-UHFFFAOYSA-N 325.416 1.876 0 40 EDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@H]1Cn1cc(C)cn1 71866053 RWXWEBUWYGGNHH-LSDHHAIUSA-N 336.461 1.494 0 40 EDAB CC(=O)N[C@H](C(=O)NCC1(N2CCCCC2)CCOCC1)C(C)C 71893340 FJOFEQDSLAWQOG-INIZCTEOSA-N 339.480 1.298 0 40 EDAB COCCOc1ncccc1C(=O)NCc1cn2cccc(C)c2n1 71893154 QVLCNUWAXZIGHM-UHFFFAOYSA-N 340.383 1.993 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@@H]3COc4ccccc43)CCO2)n1 83829817 YWVYVYIRWMXMKT-TZMCWYRMSA-N 328.372 1.443 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 71920434 UTURINVBQZXNQX-UHFFFAOYSA-N 347.440 1.956 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCOC2)cc1)[C@@H]1CCCO1 71903659 RIUKELUSYBNERG-WFASDCNBSA-N 339.413 1.614 0 40 EDAB CCNC(=O)CNC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 76091556 FTXHXBLIEFVIFE-GFCCVEGCSA-N 338.839 1.744 0 40 EDAB CNC(=O)c1ccc(CNC(=O)N[C@H]2CCN(C3CCCC3)C2)cc1 72270067 AHUDTVDSAIAYCV-INIZCTEOSA-N 344.459 1.862 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)n1 72267522 RXCPUFUCMLUECL-AWEZNQCLSA-N 331.424 1.338 0 40 EDAB CC[C@H]1CN(C(=O)NCCCCN2CCN(CC)CC2)C[C@H](C)O1 72277824 YYPYAVPLUBXZPL-IRXDYDNUSA-N 340.512 1.613 0 40 EDAB NC(=O)NC[C@@H]1CCCN(C(=O)NCCc2cccc(Cl)c2)C1 72272798 GGVDKSFWFBCOPY-ZDUSSCGKSA-N 338.839 1.972 0 40 EDAB CS(=O)(=O)CCn1cnc2c(NCc3ccccc3)ncnc21 72283349 MXYXUAVOELKKCJ-UHFFFAOYSA-N 331.401 1.483 0 40 EDAB COCCN1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1=O 97051952 MCBZUEFMHBERJH-UHFFFAOYSA-N 332.379 1.506 0 40 EDAB CCc1cc(NC(=O)N2CCCN(c3nc(C)ns3)CC2)n(C)n1 76070499 JKBFKYWLORBLMJ-UHFFFAOYSA-N 349.464 1.887 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NCCCO)CCCC2)c1 97175943 UNIPIKVZWPDEPL-UHFFFAOYSA-N 339.457 1.889 0 40 EDAB CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]2c2cccn2C)CC1=O 76092732 XEUNNKKSKASYJU-HOCLYGCPSA-N 332.448 1.099 0 40 EDAB Cc1noc([C@H](C)N[C@@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)n1 72300493 AAKQFOXSRMUQQC-GMXVVIOVSA-N 330.454 1.477 0 40 EDAB O=C(CC1(N2CCOCC2)CCCC1)N[C@H](CO)c1ccccc1 97233044 KCLLTEBBXKKKPB-QGZVFWFLSA-N 332.444 1.871 0 40 EDAB Cn1cc(C2CCN(CC(=O)NCCc3ccccc3)CC2)cn1 97203044 YIGDWYIJMXVCKO-UHFFFAOYSA-N 326.444 1.958 0 40 EDAB C[C@@H]1[C@H]2[C@H]3C=C[C@]1(C)O[C@H]32 97371579 NQLASLMTNDXMQD-UHFFFAOYSA-N 136.194 1.596 0 40 EDAB Cc1cnn(CC(=O)N(C[C@H]2CN(C)CCO2)c2nccs2)c1 95402128 GUJKKRLRPCZUQQ-CYBMUJFWSA-N 335.433 1.012 0 40 EDAB CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@H](CN)C1 95972673 USCOVNUHCHQDDW-QGZVFWFLSA-N 345.468 1.617 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@H](O)C1 74479559 CQLKUPWJNCNMDH-WMZOPIPTSA-N 346.475 1.363 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75119817 PAKZLTUVTPTQDV-MRXNPFEDSA-N 341.411 1.932 0 40 EDAB C[C@H]1CN(Cc2nnc(Cc3ccccc3)o2)CCN1C[C@@H](C)O 75129381 AGTMPOBCKFKUAE-LSDHHAIUSA-N 330.432 1.547 0 40 EDAB CCN(c1cc(OC)c(OC)cc1C(=O)NC1CC1)S(C)(=O)=O 22251751 IPATUZPVTUTTOP-UHFFFAOYSA-N 342.417 1.382 0 40 EDAB CCc1cc(C(=O)NCc2cccc(N3CCOCC3)n2)cc(O)n1 547522076 ZYJPIKYXNVNGIT-UHFFFAOYSA-N 342.399 1.511 0 40 EDAB Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C3OCCO3)O2)c1 409278656 FJRYBQYTKVLWAN-KYZVSKTDSA-N 327.336 1.181 0 40 EDAB Cc1cc(=O)c(OCC(=O)Nc2ccc3nc(CO)[nH]c3c2)cn1C 524733189 DAEQGPLOMVPIKS-UHFFFAOYSA-N 342.355 1.080 0 40 EDAB CC(C)(C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCCO 217460800 WRWOWNLKHZEEPV-UHFFFAOYSA-N 330.406 1.256 0 40 EDAB CCOc1ccc(OCC(=O)N2CCC(n3cnnc3O)CC2)cc1 535835347 UIIKKGKJVPYHGV-UHFFFAOYSA-N 346.387 1.625 0 40 EDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)CCc1ccccc1 71980010 GUNPVIINGAHJPR-OAHLLOKOSA-N 332.400 1.353 0 40 EDAB CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)Nc2cnn(C)c2)cc1 78441678 VBKFXDKZJRISNC-UHFFFAOYSA-N 349.416 1.847 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218461801 LMTPREMMWVSIDW-MBNYWOFBSA-N 331.821 1.359 0 40 EDAB COCCNc1nc2c(c(N3CCC(F)(F)CC3)n1)CCNCC2 72427375 ASSPHTKOWKVBID-UHFFFAOYSA-N 341.406 1.459 0 40 EDAB CCN(CC)C(=O)CN1CCCN(C(=O)/C=C/c2ccncc2)CC1 79050130 YKWYUNMEQHFEIN-VOTSOKGWSA-N 344.459 1.498 0 40 EDAB COc1ccc([C@H](CNC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)N(C)C)cc1 71283121 ZPLXMYRPBNYYBO-RRFJBIMHSA-N 334.416 1.771 0 40 EDAB COC(=O)[C@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(C)C 71328839 CUXDLXDFIZCKAD-QGZVFWFLSA-N 343.383 1.224 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1O2 72347571 VKNZKZMKOBNJCF-SFHVURJKSA-N 340.383 1.483 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 43979595 GHFKDSJXUFYOFZ-UHFFFAOYSA-N 326.418 1.584 0 40 EDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCc1ccccc1 225880803 MACHIBAUWJDSIY-UHFFFAOYSA-N 339.442 1.777 0 40 EDAB COC(=O)CCNC(=O)c1nc(SC)ncc1Br 41097347 QIJBSHJZOVOAKY-UHFFFAOYSA-N 334.195 1.254 0 40 EDAB O=C(NCc1ccnc(N2CCCC2)n1)c1ccc2c(c1)OCO2 224198681 ZROJBCSQFPABKU-UHFFFAOYSA-N 326.356 1.736 0 40 EDAB Cn1ncc2c(N)nc(NCCc3nccn3Cc3ccccc3)nc21 225510858 GTZTTYCSGGVOLM-UHFFFAOYSA-N 348.414 1.845 0 40 EDAB O=C(NCCc1ccccc1)c1ncn(C[C@H](O)c2ccccc2)n1 583649697 VFSRTWIBEQWHSJ-KRWDZBQOSA-N 336.395 1.984 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNS(=O)(=O)[C@H]3CCOC3)cc2)n1 96411380 DSNBKLSAJRADHH-KRWDZBQOSA-N 349.456 1.740 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CN(c2ncccn2)C[C@H]2OCC[C@H]21 96041174 JNTRWKXKRQIOJS-HRCADAONSA-N 339.399 1.029 0 40 EDAB Cc1noc(C[C@@H]2COC[C@H]3CN(C(=O)c4ccc(C)o4)C[C@@H]23)n1 96057271 MGFHXBAYLYZHSS-MCIONIFRSA-N 331.372 1.857 0 40 EDAB CCc1nnc2n1C[C@H](N[C@H](C)C(=O)NCc1cccs1)CC2 97199538 UBBVNTMYCPQLPL-VXGBXAGGSA-N 333.461 1.511 0 40 EDAB O=C(NCc1ccccn1)[C@H]1CN(Cc2ccoc2)C[C@H]2OCC[C@H]21 96041187 XBFSQUYDJQCCKQ-OKZBNKHCSA-N 341.411 1.828 0 40 EDAB COCCN(CCNC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)C1CC1 96439894 WWDRTEIMVVVWFF-ZXFUBFMLSA-N 338.496 1.412 0 40 EDAB CC(C)Nc1ccnc([C@H]2COCCN2C(=O)c2cnccn2)n1 96216078 HQUIRRHIWOZOJR-CYBMUJFWSA-N 328.376 1.301 0 40 EDAB CS(=O)(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)OC[C@H](CO)O1 96531642 CHALPEGBYOFTPV-ROUUACIJSA-N 348.420 1.959 0 40 EDAB Cn1nccc1C(=O)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 96206877 NWFXLROVBCZCHU-XJKSGUPXSA-N 346.456 1.455 0 40 EDAB O=C(CCN1CCC[C@H](N2CCNC2=O)C1)NCc1ccc(F)cc1 96443287 BTQSMUJHHDRURN-INIZCTEOSA-N 348.422 1.322 0 40 EDAB c1cnc(N2CCOC[C@]3(CCCN(Cc4cccnc4)C3)C2)nc1 96049522 SQDHWHNKHONPST-IBGZPJMESA-N 339.443 1.991 0 40 EDAB NC(=O)[C@@H]1CN(c2ccc3cccc(Br)c3n2)CCO1 96461881 DTWUGXVZGOPBQB-NSHDSACASA-N 336.189 1.688 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(C(=O)c1ccc[nH]1)CC2 96199870 JYZLAEVVLXXKTK-CQSZACIVSA-N 341.415 1.369 0 40 EDAB Cc1ccc(C(=O)N2C[C@H]3OCC(=O)N(Cc4cccnc4)[C@@H]3C2)o1 96246362 MXYBHCWZRURVSM-GDBMZVCRSA-N 341.367 1.235 0 40 EDAB O=C(c1ccnnc1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1 247878852 UUPAWMSQRRTYKG-GOSISDBHSA-N 349.394 1.915 0 40 EDAB c1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)ccn1 247842361 QQJBGXSHNUFATP-YJBOKZPZSA-N 337.427 1.970 0 40 EDAB Cc1nnc(N2CC3(C[C@@H](OCC(=O)N(C)C)CS3)C2)s1 247993320 LXNWHLOQPOJQBN-SNVBAGLBSA-N 328.463 1.016 0 40 EDAB CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCN2CCCC2=O)ncn1 248111225 KEJFQCPEDPWYPS-CQSZACIVSA-N 345.447 1.150 0 40 EDAB Cc1ccc(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)c(O)c1 585089473 PMUXWTRNDVHUHU-UHFFFAOYSA-N 347.415 1.347 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@@H]3CN(C(C)=O)C[C@@H]3C2)c1 585085883 NRNOWDKZSGVPRB-XYPHTWIQSA-N 344.411 1.593 0 40 EDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)CO)cc1 252514985 FQJMCVYKXYCBSB-SQNIBIBYSA-N 331.437 1.933 0 40 EDAB CCn1cc(S(=O)(=O)N2CCCN(CC3CCC3)CC2)cn1 585114636 OUHVWBJTQHRYAG-UHFFFAOYSA-N 326.466 1.400 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@H](c2ccnc(Nc3ccccn3)n2)C1 257325613 WTSBAPQWNDVMCG-LBPRGKRZSA-N 348.432 1.211 0 40 EDAB COc1cncc(S(=O)(=O)NC[C@H](C(=O)O)c2ccccc2)c1 542841123 VUJQPQNAYNOVLK-AWEZNQCLSA-N 336.369 1.237 0 40 EDAB Cc1noc(C)c1CC(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 257204952 AXANTSRYNQCPFV-SFHVURJKSA-N 344.415 1.329 0 40 EDAB CNc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccs3)C2)ncn1 257291670 QICHXRYTWZLNAH-MRXNPFEDSA-N 347.444 1.293 0 40 EDAB CN(C)c1cccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1 257204520 AUZWXIJIMPLVMF-HNNXBMFYSA-N 341.415 1.573 0 40 EDAB COc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)O)cc1F 552813542 ZVDDXSSZJZJITL-UHFFFAOYSA-N 329.309 1.067 0 40 EDAB COc1c[nH]c(C(=O)Nc2n[nH]c(CCC3CCCC3)n2)cc1=O 604418486 ABCVYDNJBTYXHH-UHFFFAOYSA-N 331.376 1.877 0 40 EDAB NC[C@@H]1CC[C@H](C(=O)N2CCc3c(cnn3-c3ccccc3)C2)O1 1614994002 ZQBITRKZPAPQRJ-DOTOQJQBSA-N 326.400 1.263 0 40 EDAB OCc1ccc(F)c(Cn2cnc3c2CCNC32CCOCC2)c1 1615588316 CNIIEFCCEYOIPU-UHFFFAOYSA-N 331.391 1.714 0 40 EDAB CS(C)(=O)=Nc1ccccc1NS(=O)(=O)C[C@H]1CCCO1 1616031378 UBZURTOUTBOVTG-LLVKDONJSA-N 332.447 1.966 0 40 EDAB CC(C)N(C)[C@@H]1CCN(S(=O)(=O)C2CC2)[C@H]1Cc1cnn(C)c1 96092733 SIOHQYFOCHZWGU-CVEARBPZSA-N 340.493 1.238 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 575403038 HWOZRXYZJJQQJB-GFCCVEGCSA-N 344.408 1.429 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCn2nc(C3CC3)ccc2=O)c1 575605796 AAKNEAONRILIOG-UHFFFAOYSA-N 347.440 1.716 0 40 EDAB Cn1cncc1CN1CCC[C@@]2(C1)CN(Cc1cncs1)C2=O 585099326 FBUUVMMFQBCKBT-MRXNPFEDSA-N 331.445 1.501 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)Cc3nonc3C)CCO2)c1 585276308 GBXIKRGULYPAFI-SFHVURJKSA-N 345.399 1.062 0 40 EDAB CO[C@@]1(CC(N)=O)COCCN(C(=O)c2ccc(Cl)cc2)C1 585280126 APKTWEXRSONCER-OAHLLOKOSA-N 326.780 1.073 0 40 EDAB COc1cc(C(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)ccn1 585276783 IYWCMHGHUITXRN-LJQANCHMSA-N 342.395 1.536 0 40 EDAB Cc1cccc(CN2CCN(C(=O)NCc3cnn(C)c3)CC2)c1 54809609 CVZMGTJZXPOGAP-UHFFFAOYSA-N 327.432 1.756 0 40 EDAB CCc1cc(N[C@H](C)C(=O)N2CCOCC2)nc(-c2ccccn2)n1 68696025 BFUZRAQUNNXCDU-CYBMUJFWSA-N 341.415 1.760 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCc3csc(C)n3)CC2)no1 69350110 GNOLGTHQFYDCGB-UHFFFAOYSA-N 335.433 1.775 0 40 EDAB O=S(=O)(CCCN1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 69454661 WDIVSXKKMPMWLI-MRXNPFEDSA-N 349.456 1.448 0 40 EDAB Cc1nnc2n1CCN(C[C@H](O)CO[C@@H]1CCCc3ccccc31)C2 69511030 DRBFRRJTNPWRGK-FUHWJXTLSA-N 342.443 1.857 0 40 EDAB CCN1CCCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 69592639 NFCJRDDCDLVVNR-UHFFFAOYSA-N 330.388 1.993 0 40 EDAB CN1C[C@H](C(=O)NCC(=O)Nc2cccc3ccccc23)CC1=O 69631527 TVOWYBMEQYRICG-CYBMUJFWSA-N 325.368 1.373 0 40 EDAB COC(=O)[C@](C)(NS(=O)(=O)C[C@H]1CCCCO1)c1ccccc1 69738284 BINQNZSOOAEEBW-GDBMZVCRSA-N 341.429 1.563 0 40 EDAB CCN(CCCNC(=O)Nc1ccn(C(C)(C)C)n1)S(C)(=O)=O 71922259 YFTVIYBJPSLTCE-UHFFFAOYSA-N 345.469 1.431 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)CCn3cnc4ccccc43)CCO2)n1 76046696 TVHJEFZQTSZNNT-HNNXBMFYSA-N 340.387 1.453 0 40 EDAB Cc1cc2c(N3CCC[C@@H](C(=O)N4CCOCC4)C3)nccn2n1 302302173 NIPVBJBBDSUPOG-CQSZACIVSA-N 329.404 1.113 0 40 EDAB Cn1nc(CC(=O)N2CCCC[C@@H]2c2nc(O)n[nH]2)c2ccccc21 566614184 FURACBNQFKRXTD-CQSZACIVSA-N 340.387 1.693 0 40 EDAB C/C=C/C=C/C(=O)O[C@H]1CC/C=C/[C@@H](O)[C@H](O)[C@@H](CCC)OC1=O 4097626 TXPRZPDVUZCNLB-UCKXOIGTSA-N 338.400 1.814 0 40 EDAB biogenic,in-vitro O=C(N1CCCCC1)N1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 12144562 HYIBPOQNDZNWDZ-UHFFFAOYSA-N 331.420 1.334 0 40 EDAB O=C([C@@H]1CCCO1)N1CC(n2cc(COc3ccccc3)nn2)C1 225627371 AWAYIHPTETXHLF-INIZCTEOSA-N 328.372 1.419 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 219720 RWSKBHFUZCPHBX-ZBFHGGJFSA-N 332.400 1.339 0 40 EDAB O=C([C@H]1CN(Cc2cc(F)cc(F)c2)CCO1)N1CCSCC1 1888843757 GLRYZUFWXOHGHE-OAHLLOKOSA-N 342.411 1.741 0 40 EDAB C[C@@H]1COCCCCC2(CCNCC2)C(=O)N2CCC[C@H]2C(=O)N1 2037924077 RZELRKVCLUUTKC-CABCVRRESA-N 337.464 1.052 0 40 EDAB CCC(CC)NC(=O)[C@H]1C[C@@]2(CO1)CN(Cc1cnc[nH]1)CCO2 2056226382 QCZROTIOXDDAFT-WBVHZDCISA-N 336.436 1.074 0 40 EDAB Cn1nnc2c(SCC(=O)N3CCc4ccccc43)ncnc21 13531716 JIQRNNFCEITCES-UHFFFAOYSA-N 326.385 1.440 0 40 EDAB O=C(c1cc[nH]c1)N1CCOC[C@@H]1c1nccc(=NC2CCC2)[nH]1 2055713247 MJGZOWXQQRLLJD-CQSZACIVSA-N 327.388 1.405 0 40 EDAB COCCNC(=O)[C@@H]1CCc2c(C(=O)NC3CCCCC3)ncn2C1 2055714825 SRHCWSMVYLWAGW-CYBMUJFWSA-N 348.447 1.271 0 40 EDAB O=C(c1ccc[n+]([O-])c1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220756779 RLMDDBYWSDIRPF-GFCCVEGCSA-N 328.372 1.675 0 40 EDAB CCc1ccccc1S(=O)(=O)NCc1nc(-c2cnn(C)c2)no1 575414790 UHAOZZSRJLKXPU-UHFFFAOYSA-N 347.400 1.511 0 40 EDAB O=C(CN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1)NC1CC1 35278901 CKGLLTMDBMXDKC-UHFFFAOYSA-N 327.428 1.212 0 40 EDAB O=C(CSc1ncnc2c1cnn2CCO)NCc1ccccc1 82056 RJTFTMSGWVYULE-UHFFFAOYSA-N 343.412 1.227 0 40 EDAB COC(=O)[C@@H]1Cc2nc[nH]c2[C@H](c2ccc(OC)c(OC)c2OC)N1 20112674 ATQORWOXDFORGB-AAEUAGOBSA-N 347.371 1.212 0 40 EDAB biogenic O=c1[nH]c(O)c([C@H]2NCCc3ccccc32)c(=O)n1-c1ccccc1 20150046 RPNONQLMYKLITP-INIZCTEOSA-N 335.363 1.467 0 40 EDAB CCCOc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 40497276 PNFXDQUUZJUQMJ-UHFFFAOYSA-N 340.445 1.629 0 40 EDAB Cc1cc(Cl)ccc1OCC(=O)NC[C@H]1CCS(=O)(=O)C1 40497127 INAOOUSZGNGCMM-LLVKDONJSA-N 331.821 1.578 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)CCO1 50845604 OKPGXNFRONKRBY-IRXDYDNUSA-N 340.379 1.519 0 40 EDAB CCN(CC)C(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 31503873 GZUFLRIQBPOAAL-UHFFFAOYSA-N 332.448 1.972 0 40 EDAB Cc1ccc(CN2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 40528091 PRUSLWITDPGUGO-UHFFFAOYSA-N 348.472 1.625 0 40 EDAB CC[C@H]1CCCC[C@@H]1NC(=O)CCn1cnc2c(cnn2C)c1=O 40516431 LINLTIYOPWCNCM-JSGCOSHPSA-N 331.420 1.605 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)[C@H]1Cc2cc(Cl)ccc2O1 40554789 DGJUAAYKSZDMPU-LLVKDONJSA-N 340.788 1.455 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c1 11360467 RJALHFGDGBBTRG-UHFFFAOYSA-N 335.385 1.519 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1c1nccc(C(F)(F)F)n1 45802086 QAFZXYDKTPAAEN-VIFPVBQESA-N 338.355 1.404 0 40 EDAB CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cccs2)CC1 69658078 UQTYPEJXUDFZSH-AWEZNQCLSA-N 343.518 1.539 0 40 EDAB Cc1ccc([C@H](O)CN2CCN(Cc3cnn(C)c3)CC2)cc1C 69624244 FBJZZDHTKXYCBF-LJQANCHMSA-N 328.460 1.888 0 40 EDAB COC(=O)c1cccc(NCC(=O)Nc2ccc(C(N)=O)cc2)c1 29398158 JQMPCMUGOUAVRG-UHFFFAOYSA-N 327.340 1.623 0 40 EDAB CCOC(=O)c1cnn(C)c1NC(=O)c1noc2c1C[C@H](C)CC2 2804227 YEKRDVSDQXLNRR-SECBINFHSA-N 332.360 1.962 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 52052369 LUCSSMDJRBJAQA-UHFFFAOYSA-N 335.429 1.286 0 40 EDAB CCOC(=O)N[C@](Nc1ncccn1)(C(=O)OCC)C(F)(F)F 4315861 TYUUFIAXAXBDLC-LLVKDONJSA-N 336.270 1.456 0 40 EDAB Cc1cc(NC(=O)CN2C[C@H](C(=O)N(C)C)Oc3ccccc32)on1 21322127 YLJWHZXUDMVICP-CQSZACIVSA-N 344.371 1.277 0 40 EDAB CCc1ccc([C@@H]2[C@@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 4903979 KMYYBZLECFIGBN-PASDCYSWSA-N 348.395 1.635 0 40 EDAB CS(=O)(=O)N1CCc2cc(C(=O)NCCc3ccccc3)ccc21 6766248 WURKCFZMXDHAPF-UHFFFAOYSA-N 344.436 1.981 0 40 EDAB CCOCCCNC(=O)C(=O)Nc1ccc(Br)cc1 6957712 RGQYRIIERWUOOS-UHFFFAOYSA-N 329.194 1.930 0 40 EDAB O=C(CSCCO)Nc1ccc(I)cc1 7198277 VZFPFIGENYPCEL-UHFFFAOYSA-N 337.182 1.955 0 40 EDAB CNC(=O)c1cccc(NC(=O)COC(=O)c2ccc(CO)cc2)c1 7729876 MVSVOJPAQYRDQX-UHFFFAOYSA-N 342.351 1.334 0 40 EDAB COCCNC(=O)COC(=O)c1ccc(OC)c(Br)c1 7760572 NAAKSHKHCMMKKI-UHFFFAOYSA-N 346.177 1.377 0 40 EDAB CCOc1cc2c(cc1NC(=O)CC[C@H]1NC(=O)NC1=O)O[C@@H](C)C2 32843077 RUHLCRLGZJQNIE-GXSJLCMTSA-N 347.371 1.335 0 40 EDAB C[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)N1CCOCC1 29957586 MNYMDWGPOVDYSU-GFCCVEGCSA-N 349.456 1.571 0 40 EDAB COC(=O)c1cc(NC(=S)NC(=O)C(C)C)cc(C(=O)OC)c1 8558109 VPDWXZVDQCOISZ-UHFFFAOYSA-N 338.385 1.729 0 40 EDAB N=C(N)NC1=NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S1 9287416 LJRXEBOEVYCJJL-MRVPVSSYSA-N 325.781 1.150 0 40 EDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@@H]1CCc1ccccc1 53182143 MMPQMEIQQXNZHD-MRXNPFEDSA-N 338.473 1.374 0 40 EDAB C[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCC1 12198329 LGPPTOPTJYTMLJ-GFCCVEGCSA-N 326.418 1.220 0 40 EDAB CC1(C)NC(=O)N(CCCC(=O)N2CCc3sccc3C2)C1=O 22285477 NAOKROCNUBWATH-UHFFFAOYSA-N 335.429 1.743 0 40 EDAB C[C@H](CNC(=O)Cn1cnc2ccc(F)cc2c1=O)Cn1cccn1 53545045 QOAWHPUXPNGHLL-GFCCVEGCSA-N 343.362 1.185 0 40 EDAB CN(CCOc1ccc(Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 53507815 FQIANPGOLYWBRQ-GFCCVEGCSA-N 346.836 1.547 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(C2OCCO2)CC1 69270424 HYZDJGYXWWOASH-UHFFFAOYSA-N 339.413 1.395 0 40 EDAB Cc1cc(S(=O)(=O)NCc2ccccn2)ccc1N1CCCC1=O 20452395 JBAWASUCQHURKG-UHFFFAOYSA-N 345.424 1.995 0 40 EDAB COc1cccc(CN(C)C(=O)NCCNC(=O)C(C)C)c1OC 23140062 ALRJMYJDYJPVKG-UHFFFAOYSA-N 337.420 1.617 0 40 EDAB Cc1cc(C)n(CCCNC(=O)CNC(=O)c2cc(Cl)ccn2)n1 23246538 MDMLRKFEPLKSNK-UHFFFAOYSA-N 349.822 1.485 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)CN1C(=O)COc2ccc(Cl)cc21 42532711 WOQQDFHMRFZOLG-NSHDSACASA-N 348.790 1.467 0 40 EDAB COc1ccc(OC)c2c1CN(CC(=O)NC1CCCC1)C[C@@H]2O 26155403 CXHFXLMGJCBMMA-AWEZNQCLSA-N 334.416 1.612 0 40 EDAB O=c1c2ccccc2nnn1CN(C[C@H]1CCCO1)C[C@H]1CCCO1 54520389 ANEONONCKCTILB-HUUCEWRRSA-N 344.415 1.409 0 40 EDAB Cc1csc(=O)n1CCC(=O)NCCc1ccc2c(c1)OCO2 24381559 OJHLZUKKUUOAOL-UHFFFAOYSA-N 334.397 1.696 0 40 EDAB CCc1ccc(NC(=O)CN2CCCN(CC(=O)N(C)C)CC2)cc1 24675467 VAXZJIQFIOYBGO-UHFFFAOYSA-N 346.475 1.283 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 107730649 OKUWTSOFSQATDM-CABCVRRESA-N 326.418 1.434 0 40 EDAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CCN(C)C[C@@H]2C)c1 89938866 NSILXJMSWSXRNZ-KKUMJFAQSA-N 349.475 1.905 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 108457042 BYQCVPVOMQHLMH-YXAMBPQSSA-N 344.436 1.822 0 40 EDAB O=C(NCCn1ncccc1=O)Nc1ccc(OC(F)(F)F)cc1 23237056 BHCWHPAHDQKGKR-UHFFFAOYSA-N 342.277 1.964 0 40 EDAB C[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)n1cncn1 44576764 CBXHNYHQLFIVHY-BBRMVZONSA-N 347.394 1.168 0 40 EDAB CC(C)n1ncc2cc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)cnc21 44722649 HDCVBLMXUBVVPG-NSHDSACASA-N 336.417 1.177 0 40 EDAB C[C@@H]1CN(C[C@@H]2CCCN2Cc2cccc(C(N)=O)c2)C[C@@H](C)O1 58202963 YIDLPRPDWMCKIK-RKVPGOIHSA-N 331.460 1.859 0 40 EDAB COc1ncccc1NC(=O)NC[C@H](O)COc1cccc(F)c1 44969931 JSLGAFICYGOLHE-LBPRGKRZSA-N 335.335 1.791 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](n4cccn4)C3)nc2n1 69348549 MHQRTDXXAAEVAW-CYBMUJFWSA-N 325.376 1.415 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCc2cccc(OC)c2)c1 24345629 GVKSKMYPVFXWFK-UHFFFAOYSA-N 335.381 1.960 0 40 EDAB CCCNC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1 12635569 SSVPTYSYDAOJDL-SNVBAGLBSA-N 331.463 1.339 0 40 EDAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3nccnc3N)n2)C1 10907463 JPWLYFGTEDYGJZ-SNVBAGLBSA-N 332.433 2.000 0 40 EDAB COc1ccccc1CN1CCN(CCC(=O)N2CCOCC2)CC1 69349522 QPUGPQGGDKKAHK-UHFFFAOYSA-N 347.459 1.062 0 40 EDAB CCCn1c(=O)c2ccccc2n2c(S[C@@H]3CCOC3=O)nnc12 3375629 UPALOMOICDVUPH-GFCCVEGCSA-N 344.396 1.862 0 40 EDAB COc1ccccc1C(=O)N[C@@H](C(=O)NC1CCC(O)CC1)C(C)C 12781336 NQXYWRANKBGOLO-MQBCKMQZSA-N 348.443 1.869 0 40 EDAB COC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 8393928 CDRRDRXOFBQOSA-LLVKDONJSA-N 349.412 1.763 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(CN2CCOC2=O)c1 48343852 CXQMDJOHUCWTEB-DOMZBBRYSA-N 345.399 1.740 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)CC1 13322922 BIVHXBGDAMZAMG-UHFFFAOYSA-N 347.434 1.728 0 40 EDAB CCCc1nc(C)c(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)s1 69595601 XASMYKMCEANIEW-LLVKDONJSA-N 345.490 1.545 0 40 EDAB Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 69529092 HWQIAHCQHGVZIO-AWEZNQCLSA-N 334.445 1.363 0 40 EDAB CCOc1cccc2c1OC[C@@H](C(=O)NCCC(=O)N1CCCC1)C2 69518608 TVUVSCPWHYPJHS-HNNXBMFYSA-N 346.427 1.765 0 40 EDAB CNC[C@@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 71144417 OQFKORALSJYSNR-JTQLQIEISA-N 333.251 1.679 0 40 EDAB CC[C@H](C)N(C)CCNS(=O)(=O)c1cc(NC(C)=O)ccc1C 65488941 UXSKUZCZUZYYLF-ZDUSSCGKSA-N 341.477 1.962 0 40 EDAB Cc1cc(NC2CCN(CC(N)=O)CC2)nc(-c2ccncc2)n1 65539984 IBWAADALRQXNJX-UHFFFAOYSA-N 326.404 1.209 0 40 EDAB CCN1CCc2ncnc(N3CCN(Cc4cscn4)CC3)c2C1 65519737 GHHSMHGZEOYAEZ-UHFFFAOYSA-N 344.488 1.633 0 40 EDAB c1ccc(-n2nnnc2CSc2nnnn2C[C@@H]2CCCO2)cc1 14142228 GFRHVRYAKFIPQM-LBPRGKRZSA-N 344.404 1.120 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@@H](C)c3c(C)noc3C)CC2)n1 65608019 HZHJPXUMQTWIQB-NSHDSACASA-N 345.403 1.542 0 40 EDAB COC(=O)[C@@H](NC(=O)CCc1nc2ccccc2oc1=O)C(C)C 14246105 RLZSDASQNRWSKG-HNNXBMFYSA-N 332.356 1.434 0 40 EDAB CN1C(=O)N(CC(=O)NCc2ccccc2)C(=O)C12CCCCC2 5422874 WWXGOAWZTUVFEB-UHFFFAOYSA-N 329.400 1.900 0 40 EDAB C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3ccon3)CC2)C1 66422258 BVYVKCDZBCAIDD-KBPBESRZSA-N 334.420 1.127 0 40 EDAB COc1cccc(CNC(=O)c2nnn(Cc3ccccc3)c2N)c1 4852196 ZOFDWXSVHRNKKO-UHFFFAOYSA-N 337.383 1.847 0 40 EDAB NC(=O)c1ccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 7046698 AKVITWMGJMXDGC-UHFFFAOYSA-N 343.383 1.433 0 40 EDAB O=C(N[C@H](c1nccs1)C1CC1)N1CCN(c2ncccn2)CC1 80456139 IFCGTHAMVZPHNF-ZDUSSCGKSA-N 344.444 1.916 0 40 EDAB Cc1cc(C)c(CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)c(C)c1 68396821 DPZJWGGVSFVOJP-CQSZACIVSA-N 338.429 1.467 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCCC2)cc1 8081665 ZCYWQQJOFAZIMG-LBPRGKRZSA-N 340.445 1.672 0 40 EDAB Cn1cc([C@@H]2CCCN2C[C@H](O)COc2ccc3c(c2)OCO3)cn1 71797115 WFKYGAZRJYGEDM-HOCLYGCPSA-N 345.399 1.726 0 40 EDAB O=C(CN1CC(n2cccn2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 71878982 FZGUTPACWPNSPN-QGZVFWFLSA-N 339.443 1.131 0 40 EDAB Cn1c(CN2CCC[C@H]2Cc2ccccc2Cl)cc(=O)n(C)c1=O 71824809 CZOANBBLASUDTG-AWEZNQCLSA-N 347.846 1.945 0 40 EDAB Cn1c([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)n[nH]c1=S 71896205 QVUYYRKZKXDGSL-GHMZBOCLSA-N 349.460 1.195 0 40 EDAB Cc1ccc(-n2cccc2)c(C(=O)N2CCN(C[C@H](C)O)CC2)c1 71871445 INBBAHBXYRGZAB-INIZCTEOSA-N 327.428 1.924 0 40 EDAB Cc1cc2ncn(C[C@H](O)CN3CC(n4cccn4)C3)c2cc1C 71877102 HDJVWUPTAHXISP-MRXNPFEDSA-N 325.416 1.767 0 40 EDAB CCO[C@@H]1CCCN(C(=O)Cc2c(C)nc3c(c2C)c(=O)[nH]n3C)C1 71856798 MOCLUFQWNOKZIG-CYBMUJFWSA-N 346.431 1.448 0 40 EDAB Cn1ccs/c1=N\C(=O)CCn1cc(Br)ccc1=O 71903885 QKICFOBDULDKMH-OWBHPGMISA-N 342.218 1.528 0 40 EDAB O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CCCN1C(=O)Cc1ccccc1 77150979 JTGXFZQOTVAHEM-KSZLIROESA-N 344.455 1.887 0 40 EDAB COC(=O)Nc1ccc(NC(=O)NCCN2C(=O)CCC2=O)cc1 72283378 BJXHSDUQPIAFFC-UHFFFAOYSA-N 334.332 1.135 0 40 EDAB CS(=O)(=O)CCN1CCc2c(Br)ccc(F)c2C1 97112788 ZLWNQYPOEOGNRI-UHFFFAOYSA-N 336.226 1.991 0 40 EDAB NC(=O)c1ccccc1N1CC[C@@H](NC(=O)Cc2ccccc2O)C1 95395481 BIWHRRZFQLTREJ-CQSZACIVSA-N 339.395 1.429 0 40 EDAB CC[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@@H]1N1CCOCC1 84735903 BVQIDTBGNAUJND-WBVHZDCISA-N 342.443 1.446 0 40 EDAB C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@H]1N(C)C 84714331 NCCZVXLZODZZGP-CMPLNLGQSA-N 342.237 1.019 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CCCc2nc(C3CC3)no2)CC1 95401951 ACSSPBCZEVLIND-TZMCWYRMSA-N 346.431 1.597 0 40 EDAB O=c1[nH]nc2ccc(N3CCC[C@@H](CN4CCCCCC4)C3)nn12 95412034 YUDAXDDGNCVOEG-AWEZNQCLSA-N 330.436 1.510 0 40 EDAB Cc1nn(C)c(C)c1OCC(=O)Nc1ccc([S@](C)=O)c(F)c1 95448193 JQOQOQCBJCUAGQ-HSZRJFAPSA-N 339.392 1.931 0 40 EDAB Cc1ccc(CCCC(=O)N2CCC(CS(N)(=O)=O)CC2)s1 79804762 NMPBRVQDACKOJW-UHFFFAOYSA-N 344.502 1.906 0 40 EDAB COC(=O)[C@@H](OC(=O)Cn1ccccc1=O)c1cccc(Cl)c1 73160256 CNZFMBBPPURTCS-HNNXBMFYSA-N 335.743 1.959 0 40 EDAB COCCNc1ncc2c(n1)[C@@H]1CN(c3ncc(C)cn3)C[C@@H]1C2 306128006 GNPSFTVVCAKTTH-UONOGXRCSA-N 326.404 1.409 0 40 EDAB COc1ccc(OC)c(NC(=O)COC(=O)c2c(C)nn(C)c2C)c1 9953220 FDADSTYTKNSTEV-UHFFFAOYSA-N 347.371 1.850 0 40 EDAB CCOC(=O)[C@@H](C)N(C)S(=O)(=O)c1ccc(OCCOC)cc1 75110671 LBKZUOYHBDQHCY-GFCCVEGCSA-N 345.417 1.284 0 40 EDAB Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c(=O)[nH]1 75118621 BAUNXQDTOHEONW-KRWDZBQOSA-N 341.411 1.487 0 40 EDAB Cn1nc(C(=O)N[C@@](C)(CO)Cn2cnc3ccccc32)cc1Cl 1558784118 PLBDXLBLJNRYIT-MRXNPFEDSA-N 347.806 1.604 0 40 EDAB COC[C@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 408616917 DCPFUPOVGOADTM-ZDUSSCGKSA-N 328.434 1.221 0 40 EDAB CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCO2 60472060 NCHYAVNFDVZRGH-CQSZACIVSA-N 339.413 1.728 0 40 EDAB COc1ccccc1N1C[C@@H](C(=O)NCCc2ccccn2)CC1=O 32657331 HRDZSZQAUICFQB-AWEZNQCLSA-N 339.395 1.802 0 40 EDAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(F)c(F)c(O)c1F 183617081 GJWXTTLWWMNQBM-NKWVEPMBSA-N 339.335 1.703 0 40 EDAB C[C@H]1C[C@@H](C)CN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(C)C3=O)[C@H]12 33429102 GCQXKQZJQISPAA-VAOGDNLBSA-N 341.411 1.788 0 40 EDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCn1cccn1 524733489 NJBKFLNYXDLFLA-YEWWUXTCSA-N 340.383 1.109 0 40 EDAB Cc1nc(C)c(S(=O)(=O)N[C@@H]2Cc3ccccc3NC2=O)s1 528542286 NTJBYEMVLBIGFD-GFCCVEGCSA-N 337.426 1.602 0 40 EDAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cnc2ccccn2c1=O 78394534 FASXWJNRIXKKDT-AWEZNQCLSA-N 342.399 1.168 0 40 EDAB Cc1cc(Cl)ccc1CN1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 557348520 CDRYSCKXGXBMJA-MRXNPFEDSA-N 349.862 1.961 0 40 EDAB COC[C@H](C)Nc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)O 217574249 ADSXRCGKXMAMRA-VIFPVBQESA-N 328.390 1.272 0 40 EDAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(N2CCOCC2)ncn1 75166245 YOQPGIKQEDVFEY-GFCCVEGCSA-N 346.362 1.858 0 40 EDAB O=S1(=O)CC[C@H](N(CCS(=O)(=O)c2ccccc2)C2CC2)C1 79027932 LDIRRMLOFBRXMK-AWEZNQCLSA-N 343.470 1.112 0 40 EDAB C[S@@](=O)c1nncn1-c1cc(-c2ccccc2)nc2ncnn12 79311265 BFIJZAKSRGNAEE-QHCPKHFHSA-N 325.357 1.109 0 40 EDAB CCC(CC)[C@@H](CNC(=O)c1nccn2ccnc12)N1CCOCC1 78029663 DRHOBZDQBOEPEE-OAHLLOKOSA-N 345.447 1.596 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(OC)cc1 218082648 AVRKSDQXIJUDCM-DZKIICNBSA-N 341.429 1.104 0 40 EDAB COC(=O)[C@@H]1CSCN1C(=O)[C@H]1CCN1C(=O)OC(C)(C)C 521394915 YTHYGVKVDCRFNE-ZJUUUORDSA-N 330.406 1.070 0 40 EDAB COc1ccc(CC(=O)N2CCC(n3nccn3)CC2)cc1OC 238961272 YMKQXIFPXOWUAU-UHFFFAOYSA-N 330.388 1.702 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)S1 73119444 ASBSWTGINIBJHI-LLVKDONJSA-N 349.485 1.574 0 40 EDAB Cc1n[nH]cc1C(=O)N1CCC[C@@]2(C1)NC(=O)c1ccccc1N2 72347513 KEOMTXMBHGMQRG-KRWDZBQOSA-N 325.372 1.506 0 40 EDAB O=C([C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12)N1CCOCC1 223388847 BMAZZBHKHBSCMD-INIZCTEOSA-N 327.384 1.518 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223352382 OFIOBNYJWXUSTQ-AWEZNQCLSA-N 342.351 1.816 0 40 EDAB OC1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 225488408 UHBGLJNHLCDSGY-CYBMUJFWSA-N 348.212 1.785 0 40 EDAB Cc1cc(NCC2(O)CCS(=O)(=O)CC2)ncc1Br 195546272 VYGRLSZAYPYKNK-UHFFFAOYSA-N 349.250 1.504 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)N(C)Cc1cccc(O)n1 1579287819 BXGZKLQAYPJJNU-SFHVURJKSA-N 327.384 1.555 0 40 EDAB CCN1CN(C(=O)NCCc2nccn2Cc2ccccc2)CC1=O 191897767 UERKYRUQBLDSDO-UHFFFAOYSA-N 341.415 1.305 0 40 EDAB CS(=O)(=O)NC[C@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@@H]12 96187313 GOMOUKKINMGXSZ-MGPQQGTHSA-N 330.475 1.134 0 40 EDAB CC(C)c1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)n[nH]1 583619182 PGSWYZUTNIKRLB-BDJLRTHQSA-N 344.419 1.359 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2ncnn2C(C)(C)C)C1 583619138 UOVRBEPSFXRERP-OLZOCXBDSA-N 345.451 1.991 0 40 EDAB O=C(CC1=CCCCC1)NCC(=O)N1CCN(c2cnccn2)CC1 95389658 FXGOFRZGZQJUNF-UHFFFAOYSA-N 343.431 1.132 0 40 EDAB C[C@@H](NC(=O)CN1CCCCC1=O)c1ccc(-n2ccnn2)cc1 95440427 XRTALEHFEDGLCM-CYBMUJFWSA-N 327.388 1.457 0 40 EDAB Cn1nnc(-c2ccc(OCC(=O)NCCc3ccco3)cc2)n1 96231613 OIPAICDDEOXNKO-UHFFFAOYSA-N 327.344 1.208 0 40 EDAB C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)C1CC=CC1 96201243 XGWGCKVNYDFZSG-HNNXBMFYSA-N 343.475 1.500 0 40 EDAB Cc1noc(C)c1CN1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 248009148 IJMDSTJWIGGGFT-FUHWJXTLSA-N 346.431 1.938 0 40 EDAB CN(C)C(=O)CN1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1 257334002 YECAHSFOAHEGIF-LPHOPBHVSA-N 329.444 1.730 0 40 EDAB C[C@H](NC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1)[C@H]1CCOC1 585088670 YPKJUNFEILMIIJ-XKGZKEIXSA-N 346.471 1.945 0 40 EDAB CC(C)C[C@@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)Nc1nccs1 585132293 SOTUGSUPOFWNFL-GHMZBOCLSA-N 338.433 1.139 0 40 EDAB CCn1cc(S(=O)(=O)N2C[C@@H](N(C)C)CCc3ccccc32)cn1 585122494 QOQVIRXLTUJJPX-HNNXBMFYSA-N 348.472 1.975 0 40 EDAB CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]2[C@]2(C3)NC(=O)NC2=O)CC1 585131698 DGWYBKHIEYZUIM-FWIBFFJGSA-N 333.432 1.649 0 40 EDAB COC(=O)c1ccc(CNC(=O)c2ccc(NCC3CC3)nc2)cn1 585136784 SGWIBEDSKOGPPV-UHFFFAOYSA-N 340.383 2.015 0 40 EDAB COc1ccc(NS(=O)(=O)C[C@@H](C)OC)cc1N1CCCC1=O 252509316 YKWZMLCSMQNJGG-LLVKDONJSA-N 342.417 1.599 0 40 EDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(Cc2cc(C)on2)C3)n1 253601164 KVUHYSAIYZZMFS-OAHLLOKOSA-N 330.388 1.894 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(CC(=O)N3CCCCC3)CCO2)n1 257291438 QGZBXRJBQZCRAY-GOSISDBHSA-N 346.475 1.842 0 40 EDAB CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN(C2CCOCC2)C1 257240955 HVWNAMGHZHPZII-GOSISDBHSA-N 345.487 1.388 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)c1ccno1 257312521 UOIVVYCVETXOLY-CYBMUJFWSA-N 329.360 1.386 0 40 EDAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(=O)Cn2cc(Cl)cn2)C1 257335661 YLHKDFWULPWCMB-DZGCQCFKSA-N 338.839 1.786 0 40 EDAB CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1O 257241689 HZDQWWBSKDUJCH-IAGOWNOFSA-N 331.391 1.482 0 40 EDAB Cc1ccccc1C(=O)N(C)C[C@@]1(O)CCCN(c2ncccn2)C1 257242623 IDJLQOQVIXDOSO-IBGZPJMESA-N 340.427 1.889 0 40 EDAB C[C@]1(c2ncc(C(N)=O)s2)CCCN(C(=O)c2cccnc2)C1 257249880 JKCWNWIZTSRZLE-INIZCTEOSA-N 330.413 1.831 0 40 EDAB Cc1nc(C(C)C)oc1C(=O)Nc1ccc(N2CCNC(=O)C2)cn1 1615574972 PBCFTTIWDXRGOD-UHFFFAOYSA-N 343.387 1.690 0 40 EDAB Cc1csc(CN(C[C@@H]2CCCO2)C(=O)Nc2cn(C)nn2)n1 1615540993 ZGKCCMJZCQGDSY-NSHDSACASA-N 336.421 1.793 0 40 EDAB O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)CCc1ccccc1F 656563810 WKOOOPPITWXRAR-YRGRVCCFSA-N 327.377 1.636 0 40 EDAB Cc1cccc(CN2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)c1 585113055 YBPHSJQRHPOYPF-INIZCTEOSA-N 334.445 1.298 0 40 EDAB CCCCC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585095695 CIULQRNKQHAAAC-OAHLLOKOSA-N 334.420 1.901 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1 49030557 ZKHZYSLUDXLZOC-GFCCVEGCSA-N 334.420 1.340 0 40 EDAB CCc1nnc2n1CCN(C(=O)COCc1cccc(OC)c1)C2 69484975 XGRKXSWKUJTCBX-UHFFFAOYSA-N 330.388 1.408 0 40 EDAB Cc1ccc(CC(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)cc1 69416184 FISQNAWEZDABTE-UHFFFAOYSA-N 349.394 1.873 0 40 EDAB CCn1cc(CNC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)nn1 1552813712 QZQPQVMGUQZVGV-OAHLLOKOSA-N 341.419 1.387 0 40 EDAB COC(=O)c1c(C)nn(CC(=O)NCc2ccc3c(c2)OCO3)c1C 69742904 IWIPMJVTPQMSLF-UHFFFAOYSA-N 345.355 1.332 0 40 EDAB O=C(Nc1cn[nH]c1)c1ccccc1S(=O)(=O)N1CCCCC1 63783436 GNLJOPQFWRMBQM-UHFFFAOYSA-N 334.401 1.837 0 40 EDAB O=C(NCc1nc(-c2ccncc2)no1)c1cc2c([nH]c1=O)CCC2 84615188 IJUSYMWDEBBSJE-UHFFFAOYSA-N 337.339 1.239 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)CC(=O)NCc1ccccc1N2 1615528823 CVBGWBHGWPGDPF-UHFFFAOYSA-N 330.432 1.041 0 40 EDAB CN1C(=O)c2cccc(NCCN3C(=O)c4ccccc4C3=O)c2C1=O 5007611 VWQSDOZFOZZQSB-UHFFFAOYSA-N 349.346 1.621 0 40 EDAB Cc1cc(C)n(CCC(=O)NCCc2nc(-c3ccncc3)n[nH]2)n1 12115825 XZTLLCCXWBSMAX-UHFFFAOYSA-N 339.403 1.429 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1[C@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 12221170 JNJHGBCNQQJILI-GNOXNVMVSA-N 346.475 1.636 0 40 EDAB C[C@H](OC(=O)C1CCN(C(N)=O)CC1)C(=O)N[C@@H](C)c1ccccc1 12824820 YJSXQDXAHWETOF-STQMWFEESA-N 347.415 1.586 0 40 EDAB C[C@@]1(NC(=O)c2ccc(N3CCCC3=O)cc2)CCS(=O)(=O)C1 13020727 MOGARXZZLORCBE-MRXNPFEDSA-N 336.413 1.120 0 40 EDAB CNS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13585839 VKOPEUBLKJXOMD-UHFFFAOYSA-N 328.415 1.250 0 40 EDAB c1ccc(COC[C@@H]2COCCOCCOCCOCCO2)cc1 5603342 UAXWCXRLGRPPPM-SFHVURJKSA-N 340.416 1.668 0 40 EDAB CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCN(CC)CC)C1=O 35313851 HABUBTIJJGRQOT-MRXNPFEDSA-N 347.459 1.957 0 40 EDAB COc1cc(/C=C2\NC(=S)NC2=O)cc(Br)c1OC 2745360 LGRSRQWGNDXKDV-YWEYNIOJSA-N 343.202 1.812 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCn3nc(C4CC4)cc3C2)c1 390829336 DRJBZYHVHMRJRC-UHFFFAOYSA-N 335.433 1.742 0 40 EDAB COC(=O)C1CCN(C[C@H](O)COCc2ccc(OC)cc2)CC1 6936593 BMWWBLAXCKQHKI-INIZCTEOSA-N 337.416 1.458 0 40 EDAB CCC(CC)NC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C 7024320 AVXCBDIPUHRNKK-UHFFFAOYSA-N 330.454 1.055 0 40 EDAB Cc1cc(C(=O)NC2CN(c3cc(C(F)(F)F)ccn3)C2)nn1C 1888843298 YHBOOWNPPOKKOI-UHFFFAOYSA-N 339.321 1.761 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(COc2ccc3nccn3n2)CC1 1888850422 OYUNESSNCWOMLP-CQSZACIVSA-N 330.388 1.526 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 33004758 FKKQEFFMQWJKPT-UKRRQHHQSA-N 335.379 1.516 0 40 EDAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)NC[C@H]1CCCO1 38756847 NWAUESOOBKQGRE-NWDGAFQWSA-N 349.456 1.454 0 40 EDAB O=C(CSc1ccc(F)cc1)N1CC[C@@H](N2C(=O)COC2=O)C1 238828118 FFZWBCJRQWNKCZ-LLVKDONJSA-N 338.360 1.498 0 40 EDAB COCC(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037984273 VWVUHVOBPWCYHJ-SFHVURJKSA-N 332.400 1.448 0 40 EDAB CCOC(=O)c1cnc(I)c(OC(C)=O)c1 1565504820 NPDUODICOCOABP-UHFFFAOYSA-N 335.097 1.788 0 40 EDAB CO[C@@H]1CCN(C2CCN(S(=O)(=O)c3cccs3)CC2)C1 1565522943 CGUWJKSDTXITBP-CYBMUJFWSA-N 330.475 1.622 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(c2cncn2C)CC1 1364167377 CFSMWRXRCPVEIZ-UHFFFAOYSA-N 337.449 1.339 0 40 EDAB NC(=O)c1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1 5251028 WQIDMRDUFCJJLF-UHFFFAOYSA-N 345.786 1.736 0 40 EDAB COc1ccccc1C(=O)NCCC(=O)N(C)Cc1cccnc1 12589585 YNPHZUYBOQPWKQ-UHFFFAOYSA-N 327.384 1.869 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCN(C[C@@H](O)c2ccco2)CC1 30536451 JAGLBAHOFXZZSE-MRXNPFEDSA-N 332.375 1.839 0 40 EDAB CN(Cc1nc(N)nc(N(C)C)n1)Cc1ccc(Br)o1 30216987 AWNHUXQAKHAFST-UHFFFAOYSA-N 341.213 1.507 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCCCNC2=O)c2cnn(C(C)C)c2n1 40521806 YRGCUMXOPGRXMN-AWEZNQCLSA-N 329.404 1.719 0 40 EDAB CCc1c(C)sc2nc(NCCO)n(C[C@H]3CCCO3)c(=O)c12 69173187 CRANTJAEEJRMGQ-LLVKDONJSA-N 337.445 1.912 0 40 EDAB O=C1O[C@H](C(=O)Nc2ccc(-n3cccn3)nc2)Cc2ccccc21 29197882 LEVZTZACFVGGFD-HNNXBMFYSA-N 334.335 1.988 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(C[C@@H](O)c3ccc(F)cc3F)C2=O)cn1 101379852 XTXYOEWFRNLGRL-XHDPSFHLSA-N 349.337 1.350 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 3320609 CKFOAAUBZOLFPN-UHFFFAOYSA-N 348.424 1.912 0 40 EDAB CCC(=O)NCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 29780172 JQHVXBYSLVHAAM-UHFFFAOYSA-N 348.428 1.598 0 40 EDAB COc1ccc([C@H]2[C@H]3[C@H](C)NC(=O)N(C)[C@H]3NC(=O)N2C)c(OC)c1 4023668 IVGBQRCBJJPBGS-FESTWEEDSA-N 348.403 1.386 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(N)=O 4186266 AFBWSRMGNGDPQF-UTUOFQBUSA-N 327.425 1.402 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)o1 4288456 SLJOUZNSCPKRBQ-MRVPVSSYSA-N 336.373 1.681 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCN(C[C@@H](C)O)CC1 69652349 YVNNPKDKCNIAOJ-RRFJBIMHSA-N 337.468 1.180 0 40 EDAB COCCOc1cc(NC(=O)[C@@H]2C(=O)N(C)N=C2C)ccc1OC 101901766 FMIQJSHXVRJNRY-CQSZACIVSA-N 335.360 1.123 0 40 EDAB CCOc1ccc([C@H]2CCCN2C(=O)CC[C@@H]2NC(=O)NC2=O)cc1 32821009 AVZJKJRUHRXXLE-LSDHHAIUSA-N 345.399 1.737 0 40 EDAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)[nH]1 102723349 HGGIROZNLNAXMT-STQMWFEESA-N 344.367 1.309 0 40 EDAB CCOC(=O)c1cn(CC(N)=O)c2cc(C(F)(F)F)ccc2c1=O 69663979 BFCQVLXHZFUPRL-UHFFFAOYSA-N 342.273 1.682 0 40 EDAB COC[C@]1(CNC(=O)c2cnc(C)nc2N)OCCc2ccccc21 517267911 ODILNHXGQKDUDV-SFHVURJKSA-N 342.399 1.212 0 40 EDAB COc1ccc(CC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 41673582 LTMYMDUJPXOJQI-CQSZACIVSA-N 340.445 1.026 0 40 EDAB CC(C)N1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C)c2ccccc2)C1=O 8363214 JQLUCBVAXBIENE-LBPRGKRZSA-N 331.372 1.405 0 40 EDAB O=C(Nc1ncccc1O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 22264909 FQLOJXDMNKKUFB-UHFFFAOYSA-N 336.373 1.152 0 40 EDAB C[C@H]1CN(C(C)(C)CNS(=O)(=O)N2CCCCCC2)C[C@@H](C)O1 22413329 HGAVWHXLBNBVNC-GASCZTMLSA-N 347.525 1.585 0 40 EDAB Cc1noc(COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)n1 23382556 SFMMOUBZRDDZCU-AWEZNQCLSA-N 329.356 1.512 0 40 EDAB Cc1ccc(OCc2nc(C(=O)N3CCNC(=O)C3)cs2)cc1 23420851 RSUXFVSKJLNPKF-UHFFFAOYSA-N 331.397 1.603 0 40 EDAB O=C(C1CC1)N1CCN(Cn2c(=O)oc3cc(Cl)ccc32)CC1 23641219 WDEWQEMICJFITJ-UHFFFAOYSA-N 335.791 1.760 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccncc2)C1=O 42797886 SIWYFADHUHTRME-AWEZNQCLSA-N 344.415 1.856 0 40 EDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 105577234 AUBLNFKMKCODDE-HRCADAONSA-N 336.457 1.658 0 40 EDAB 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NC(=O)Cc1csc(NC(=O)CCc2ccc3c(c2)OCCO3)n1 12881940 RYGRSUGZRNXLDZ-UHFFFAOYSA-N 347.396 1.513 0 40 EDAB CCc1nnc2n1CCN([C@@H](C(=O)NC1CC1)c1ccccc1)C2 69456709 FZGRDPPGUWGOMN-QGZVFWFLSA-N 325.416 1.676 0 40 EDAB CNC(=O)NC(=O)CCN(CC(=O)Nc1ccc(F)cc1)C(C)C 69453759 TWZATKVHCZKFAI-UHFFFAOYSA-N 338.383 1.320 0 40 EDAB COC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cccnc3)C2)s1 69443143 LPUYUUIUXGVWCP-LLVKDONJSA-N 331.397 1.938 0 40 EDAB CCN1CCC[C@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 69416927 KQQHPOQXAUKFGD-INIZCTEOSA-N 342.447 1.721 0 40 EDAB CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CCN(C(C)C)C1 69485760 CRGPZZTWRDTFMC-QGZVFWFLSA-N 346.475 1.817 0 40 EDAB O=C1CCN(C(=O)NCCOc2cccc(C(F)(F)F)c2)CCN1 69442319 KAMJXNZPQSXLGH-UHFFFAOYSA-N 345.321 1.616 0 40 EDAB COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 3764735 SMQJCOCUXVTNID-UHFFFAOYSA-N 342.380 1.992 0 40 EDAB CCOC(=O)c1nnsc1Sc1snnc1C(=O)NC 3770881 ULUYRDSALOXZKB-UHFFFAOYSA-N 331.404 1.077 0 40 EDAB COc1ccc(/C=C2\NC(=S)N(C[C@@H]3CCCO3)C2=O)c(OC)c1 13119068 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O=C([C@@H]1NCCc2[nH]cnc21)N1CCc2n[nH]c(C3CCC3)c2C1 72477370 KUUONASMTHGELD-MRXNPFEDSA-N 326.404 1.172 0 40 EDAB O=C(NCc1ccc(CO)c(F)c1)NC[C@H]1COc2ccccc2O1 95369410 NVJUBHAZRVRTLM-AWEZNQCLSA-N 346.358 1.957 0 40 EDAB CNC(=O)Cn1cc(NC(=O)CN[C@H]2CCCC[C@H]2C(C)(C)C)cn1 95394082 YLOGDGGJLDRORN-CABCVRRESA-N 349.479 1.762 0 40 EDAB COC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 95369507 XJLIZJFVYZBMOS-IAQYHMDHSA-N 347.440 1.834 0 40 EDAB COc1c(C(=O)N2CCC[C@H](C(=O)N3CCCCC3)C2)c(C)nn1C 95395655 OABMTWMJOIUYTM-AWEZNQCLSA-N 348.447 1.602 0 40 EDAB C[C@H](CNC(=O)c1cc(S(C)(=O)=O)ccc1F)Cn1cccn1 95439356 GPGMKADEGQMNIC-LLVKDONJSA-N 339.392 1.492 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)n1 89289761 YFOYTWLPUWUXSC-OAHLLOKOSA-N 342.399 1.445 0 40 EDAB CCc1nncn1CCNC(=O)N1CCc2c(F)ccc(F)c2C1 89296433 MXPCVAANXUXJLS-UHFFFAOYSA-N 335.358 1.887 0 40 EDAB COc1cc(NC(=N)Nc2nc3c(c(=O)[nH]2)CCC3)cc(OC)c1 9935252 YDSIESABEFOZSS-UHFFFAOYSA-N 329.360 1.735 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@@H]1CCCOC1 75121781 PTEMICNPBLQATQ-ZDUSSCGKSA-N 342.399 1.226 0 40 EDAB Cc1nnc(CN(C)[C@@H]2CCN(Cc3nnsc3Cl)C2)n1C 89736014 YHBQAXUYSVDDHE-SNVBAGLBSA-N 341.872 1.335 0 40 EDAB O=C(C[C@H](O)c1cccc(F)c1)N1CCC[C@@H]1CN1CCOCC1 89774709 AQERTTLIEAWVGY-SJORKVTESA-N 336.407 1.572 0 40 EDAB Cc1c(S(=O)(=O)Nc2cnn(C)c2C(=O)O)c2ccccc2n1C 551467188 TUNBIXXWIJSFKH-UHFFFAOYSA-N 348.384 1.719 0 40 EDAB O=S(=O)(NCc1cccc2c1OCO2)c1ccc2c(c1)CCO2 60508987 XSDJWMLYMGNFQC-UHFFFAOYSA-N 333.365 1.829 0 40 EDAB CCN(CC(=O)O)C1CC(NC(=O)CO[C@H]2CCC[C@H](C)C2)C1 547699795 QTQNEDZSPYMGJY-PPWQZUPISA-N 326.437 1.635 0 40 EDAB CN1C[C@]2(CCN(C(=O)C3CC3)C2)Oc2ccccc2S1(=O)=O 306140199 UMQLBMVXXJOXNP-INIZCTEOSA-N 336.413 1.081 0 40 EDAB Cn1ncc(C(=O)N2CC3(CCN(C(=O)C4(F)CCCCC4)C3)C2)n1 1019191320 LPLBHAWMFOTAIA-UHFFFAOYSA-N 349.410 1.162 0 40 EDAB CCN1CCC[C@H]1CNC(=O)CC1(Cn2cnnn2)CCCCC1 524733549 VTYHTPHBLMKHTI-HNNXBMFYSA-N 334.468 1.614 0 40 EDAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Cl)cc1 218414815 AWWJMCMDZGGYOW-OBJOEFQTSA-N 331.821 1.501 0 40 EDAB CC[C@@H](O)[C@H]1CCCCN1Cc1csc(CS(C)(=O)=O)n1 75751816 OEFRBLKOVVFOIY-CHWSQXEVSA-N 332.491 1.813 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](c3ccccc3)C2)CC1 38567235 BVMVILUQSTYEGF-MRXNPFEDSA-N 336.457 1.674 0 40 EDAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NS(=O)(=O)c2cnccn2)o1 152454624 OWIYMFMMCOOHBI-BIZURNDZSA-N 333.369 1.711 0 40 EDAB O=C(COc1ccc2ccccc2c1)NCCCN1C(=O)CNC1=O 78712845 PGFMCFNDNTZPQC-UHFFFAOYSA-N 341.367 1.277 0 40 EDAB C[C@H]1c2nncn2CCN1C(=O)c1cnn(-c2ccccc2F)c1 564811076 FWBZNINQWPSKTC-NSHDSACASA-N 326.335 1.820 0 40 EDAB COC(=O)Cn1cc(C(=O)OC)c2nn(-c3ccccc3)c(=O)c-2c1 30822965 RAZCPORISVCJAG-UHFFFAOYSA-N 341.323 1.098 0 40 EDAB C[C@H](NC(=O)C[C@@H]1CCc2ccccc2C1)C(=O)N1CCOCC1 78986493 JPISEKGYULXOQT-LSDHHAIUSA-N 330.428 1.545 0 40 EDAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCO2)Nc2ccccc21 72327441 JWZZKZSJYROUJW-WHTWZSQMSA-N 327.384 1.481 0 40 EDAB Cc1cc(C)nc(N2CCC(Cn3cc(C(=O)N(C)C)cn3)CC2)n1 72369192 RXNQTDCCBBXKRP-UHFFFAOYSA-N 342.447 1.908 0 40 EDAB O=C(NCCCC(=O)N1CCc2ccccc2C1)NC[C@H]1CCCO1 78988903 FOEFRLZAFMMDAC-QGZVFWFLSA-N 345.443 1.830 0 40 EDAB Cn1ccnc1SCCN(Cc1ccccc1)S(C)(=O)=O 191482767 UWCAGYKWSDZAKH-UHFFFAOYSA-N 325.459 1.974 0 40 EDAB Cc1cc(CNC(=O)COc2cccc3c2NC(=O)CC3)n(C)n1 227150842 XKQCGDOGEFFHNI-UHFFFAOYSA-N 328.372 1.308 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(COC)c2)CC1 224401475 XSUSDALUTQMSCL-UHFFFAOYSA-N 336.388 1.756 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(Cc2ccc(OCC3CC3)cc2)C1 191232288 BCXGXRMDMXRGLF-INIZCTEOSA-N 338.473 1.989 0 40 EDAB Cn1cc(CCN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)cn1 576486750 YAPTVUNBZVSXPT-LJQANCHMSA-N 338.411 1.919 0 40 EDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 96263047 FMEHSOQUZWBAAO-MRXNPFEDSA-N 340.427 1.519 0 40 EDAB O=C(Cc1ccco1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96108979 BYTZEHFXDASZFP-VQIMIIECSA-N 342.395 1.909 0 40 EDAB COCCN1CC[C@]2(CN([C@@H]3CCOC3)C[C@H]2c2ccccc2)C1=O 96201887 FVUAUXBRUIFVMI-WSTZPKSXSA-N 344.455 1.740 0 40 EDAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NCc2ccco2)C1 96111150 GVYUBKUYTZQNIL-CXAGYDPISA-N 347.440 1.809 0 40 EDAB c1cn(C[C@@H]2CO[C@]3(COCCN(Cc4nccs4)C3)C2)cn1 96052064 CVGKIGPOMYYMGB-GDBMZVCRSA-N 334.445 1.647 0 40 EDAB CN1CCN([C@@H]2COC3(CCN(C(=O)c4ccccn4)CC3)C2)CC1 96048863 SHAUXBMUMJYHLV-INIZCTEOSA-N 344.459 1.093 0 40 EDAB Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(=O)c2cscn2)n1 97971520 FGBGGGZVFAAWFP-HUUCEWRRSA-N 342.424 1.862 0 40 EDAB O=C1NC2(CCN(C(=O)[C@@H]3CCOC3)CC2)C[C@H]1c1ccncc1 96199573 ATMZBXMERACDSR-CABCVRRESA-N 329.400 1.083 0 40 EDAB COC(=O)[C@@H](NC(=O)CSC[C@@H]1CCCCO1)c1cccnc1 579252089 SQJBAWQTNPTMOG-ZFWWWQNUSA-N 338.429 1.714 0 40 EDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2cnn(C)c2)cn1 96200250 XGPGUWZNHBUPQS-ZWKOTPCHSA-N 329.448 1.766 0 40 EDAB O=C(COC[C@]12COC[C@H]1CN(Cc1ccncc1)C2)N1CCCC1 96108810 NNGZAUCZGSIYDD-MJGOQNOKSA-N 345.443 1.169 0 40 EDAB Cc1occc1C(=O)N1CCOC[C@@]2(C[C@@H](Cn3cnnc3)CO2)C1 96240622 JMOKKOGKTUMLDJ-WMLDXEAASA-N 346.387 1.127 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2cccnc2)cn1 96041713 VCTZHLDDWHUJLP-RCCFBDPRSA-N 328.416 1.764 0 40 EDAB C[C@@](O)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1ccsc1 96444464 GFAMXRXZXRPNQS-SUMWQHHRSA-N 348.424 1.970 0 40 EDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@H]3O2)n1 96220482 YJLXNELVGOPPGH-SLEUVZQESA-N 344.371 1.716 0 40 EDAB COCCC(=O)N1CCC2(CC1)CO[C@@H](COc1cccnc1)C2 96207083 FCFHGFVOYZLQPC-MRXNPFEDSA-N 334.416 1.895 0 40 EDAB Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)Cn3cncn3)cc2)co1 96409586 FDYRUNIWZFTRNK-LLVKDONJSA-N 347.400 1.609 0 40 EDAB COC[C@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2cncn2C1 96208025 SNABXRJRPOPSND-CQSZACIVSA-N 335.429 1.659 0 40 EDAB COc1cc(N2CC3(C2)OCC[C@H]3COc2ccccn2)ncn1 247877553 HPLRNIDWVLXKJV-ZDUSSCGKSA-N 328.372 1.555 0 40 EDAB Cc1ccc(N2CC3(C2)OCC[C@@H]3COCC(=O)N2CCCC2)nn1 247948620 XQELSRZTFZGSGR-OAHLLOKOSA-N 346.431 1.019 0 40 EDAB CO[C@](C)(C(=O)N[C@H](CO)Cc1cnn(C)c1)c1ccccc1F 585088168 NOFCJJFSEDBHRT-GUYCJALGSA-N 335.379 1.141 0 40 EDAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)Cc1ccsc1 257271414 MYFAMZCSOWIQFB-QGZVFWFLSA-N 344.440 1.687 0 40 EDAB Cc1nnc(COC2CN(C(=O)[C@]3(c4ccccc4)C[C@H](O)C3)C2)o1 585129406 IPSSRPHCFFJEQP-UJKQEGAGSA-N 343.383 1.198 0 40 EDAB C[C@H]1CN(C(=O)Nc2[nH]nnc2C(=O)N2CCCC2)C[C@H](C)S1 585119284 AGXVIPAZVVSTDC-UWVGGRQHSA-N 338.437 1.398 0 40 EDAB Cn1cnc(C(=O)N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)c1 257301572 RZAKXKHLLXMZSF-HOCLYGCPSA-N 333.363 1.604 0 40 EDAB CO[C@H]1CN(C(=O)CCN(C)Cc2cccnc2)C[C@@]12CCCO2 257313312 URTYNCJRXGKRHO-WMZOPIPTSA-N 333.432 1.310 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cn(C)nc3C)CCO2)n1 257231744 GIAJVDMGKPLEAA-KRWDZBQOSA-N 343.431 1.712 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257201579 AIFDTDPQAXCUEA-HNNXBMFYSA-N 343.431 1.406 0 40 EDAB COc1ncc(CN2CCC[C@H]2c2cc(N(C)C)nc(C)n2)cn1 257254815 KEUMSTOJIVJUAG-HNNXBMFYSA-N 328.420 1.987 0 40 EDAB CCc1ccsc1CNC(=O)N1CC[C@H](CS(C)(=O)=O)C1 1615044110 MCMMPGUUVZJGJG-NSHDSACASA-N 330.475 1.887 0 40 EDAB O=C(Cc1ccc(Cl)cc1)N1CCC(O)(Cn2ccnn2)CC1 1615616060 DRWARHOUAMQBJO-UHFFFAOYSA-N 334.807 1.528 0 40 EDAB CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)cc1 1615627162 DJCLZPRJTSCWJD-CQSZACIVSA-N 325.434 1.036 0 40 EDAB CO[C@@]1(CNC(=O)C(=O)NCc2ccc(Cl)cc2)CCSC1 96097740 LFDIVXHRRPEMQV-OAHLLOKOSA-N 342.848 1.595 0 40 EDAB O=C(Nc1cc(-n2ccnc2)ncn1)c1cnn(-c2ccccc2)n1 96097996 RRNNBRXKVWZMHA-UHFFFAOYSA-N 332.327 1.495 0 40 EDAB Cc1cc(CN2Cc3ccnn3CC[C@@H]2CN2CCOCC2)n[nH]1 585098320 WCKDWUBEARHQOZ-MRXNPFEDSA-N 330.436 1.021 0 40 EDAB O=C(c1n[nH]cc1Cl)N1CCO[C@](CO)(Cc2ccccc2)C1 585276245 FCPKXLQLVUSZBX-MRXNPFEDSA-N 335.791 1.509 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCCN(C(=O)c3nccn3C)C2)c1 585279294 ZCJYWMOFYYHJHD-GOSISDBHSA-N 329.400 1.775 0 40 EDAB Cc1cc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)n(C)n1 43434364 AHVOYRSZOKUGCZ-AWEZNQCLSA-N 347.419 1.825 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1C 46198842 BBPCZXTZYSTXTJ-CQSZACIVSA-N 347.440 1.654 0 40 EDAB NC(=O)NCCCCCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 57997485 FOFJYOJKAIFBDK-HNNXBMFYSA-N 337.395 1.954 0 40 EDAB CC[C@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 68459721 BKVDYNZEPNGKCG-HOCLYGCPSA-N 346.427 1.883 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cnn(-c3cccc(C)c3)n1)C2 69562810 JJZAGLMWZIPGCS-UHFFFAOYSA-N 337.387 1.386 0 40 EDAB NC(=O)CN1CCC[C@H](Cc2ccc(Nc3ccccn3)nn2)C1 72363509 YVMKGPVCRKAMDY-CYBMUJFWSA-N 326.404 1.355 0 40 EDAB Cn1cnc(S(=O)(=O)NCC2(c3cccs3)CCOCC2)c1 96025719 IOISAFPJPHEZPG-UHFFFAOYSA-N 341.458 1.508 0 40 EDAB Cc1cncnc1N1C[C@H]2CN(c3cc(=O)n4ccccc4n3)C[C@@H]2C1 585616633 MLEYQOOMUVQEPC-HUUCEWRRSA-N 348.410 1.366 0 40 EDAB C[C@@](O)(CNC(=O)CCOc1cccc(Br)c1)C(=O)O 90276612 CZQHDIMJMLMUHA-CYBMUJFWSA-N 346.177 1.170 0 40 EDAB COC(=O)c1cc(NC(=O)N2CCC[C@@H](CO)[C@H]2CO)ccc1F 1615055556 CMZUTHYRJDOPHI-IINYFYTJSA-N 340.351 1.209 0 40 EDAB COc1ccc(-c2c(S(C)(=O)=O)nsc2S(C)(=O)=O)cc1 5572899 MYFMNASOXPOQPS-UHFFFAOYSA-N 347.439 1.626 0 40 EDAB CC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1OC 13581107 CCYSINHQILDJHK-LLVKDONJSA-N 346.424 1.760 0 40 EDAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCC(C)C)Oc2ccccc21 13681852 NJXCBTFARHEYFJ-HNNXBMFYSA-N 340.445 1.766 0 40 EDAB O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCCCCC1 14242668 MLLYAOZDWACLKN-UHFFFAOYSA-N 329.408 1.138 0 40 EDAB O=c1cc(CCCN2CCOCC2)nc(NCc2cccc(F)c2)[nH]1 19293936 QWGKHSGEIBRBDT-UHFFFAOYSA-N 346.406 1.786 0 40 EDAB CC(C)N1CCc2nc([C@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1 19448210 MIDRLMPMCGXYRW-OAHLLOKOSA-N 330.432 1.610 0 40 EDAB CCCn1cc(S(=O)(=O)NCCCn2ccnc2C)c(C)n1 19526062 POMUTIXPNNAFIC-UHFFFAOYSA-N 325.438 1.475 0 40 EDAB COCCN1CCC(CNS(=O)(=O)c2cccc(F)c2)CC1 22999850 WLHDDQBGHROSOE-UHFFFAOYSA-N 330.425 1.462 0 40 EDAB O=C(CSc1ccc(NC(=O)C2CC2)nn1)NC[C@H]1CCCO1 13701968 UEICCRCGGOBDDU-LLVKDONJSA-N 336.417 1.212 0 40 EDAB CCn1ccnc1[C@H]1CCCCN1C(=O)[C@@H]1CCCN(C(N)=O)C1 579910314 QUIYMVKNNLNMMR-ZIAGYGMSSA-N 333.436 1.747 0 40 EDAB Cc1cc(CCC(=O)N2CC(N3CCC(C(N)=O)CC3)C2)ccc1F 390827760 JYJXXXNYDZGBCX-UHFFFAOYSA-N 347.434 1.475 0 40 EDAB Cc1nsc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)n1 1888844467 PJRGBMUNLUBBIF-CHWSQXEVSA-N 328.397 1.468 0 40 EDAB Cc1cc(C)nc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)n1 1888844604 MXYVPICSWFYGNS-HZPDHXFCSA-N 336.395 1.715 0 40 EDAB Cc1nnc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)s1 1888930540 URXBXGKVXJHBTH-UHFFFAOYSA-N 328.405 1.149 0 40 EDAB COC(=O)C[C@H](NC(=O)CSC)c1ccc(OC)c(OC)c1 28669027 INGXRESLTGZJRS-NSHDSACASA-N 327.402 1.787 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@H]1C(=O)O)N2C(=O)OC(C)(C)C 953109634 LCRZOBGVRPRLHD-WTXUAKGWSA-N 328.365 1.678 0 40 EDAB O=C(c1csnn1)N1CCC2(CC1)CCN(c1cccnc1)C2=O 1565553356 VIHABCUWDHDWHH-UHFFFAOYSA-N 343.412 1.592 0 40 EDAB O=C(CSc1ccc(-c2cccnc2)nn1)NC[C@@H]1CCCO1 5108137 PBNYYSXPFFSDTR-ZDUSSCGKSA-N 330.413 1.926 0 40 EDAB COc1ccccc1-n1c2c(c(=O)[nH]c1=O)CN(C1CCCC1)CN2 12371798 JAQFRRZGZNQLQL-UHFFFAOYSA-N 342.399 1.662 0 40 EDAB CCOc1ccc(CC(=O)N2CC[C@H](n3cc(COC)nn3)C2)cc1 585149685 PCJVXYAPGIVPMC-INIZCTEOSA-N 344.415 1.839 0 40 EDAB O=C(CCSc1ccccc1)NC[C@@]1(OCCO)CCOC1 617717700 LEHDUCMMIGXYPM-INIZCTEOSA-N 325.430 1.453 0 40 EDAB Cc1ccc(-c2ccc(=O)n(CC3(O)C[C@@H]4CC[C@H](C3)N4)n2)cc1 13227132 XHRYOEMJAMKVKW-MCPYQZEQSA-N 325.412 1.864 0 40 EDAB O=C(C[C@H](C(=O)O)N1CCNCC1)Nc1ccc(Cl)cc1Cl 22592768 SMSGFDLDZGVWQG-GFCCVEGCSA-N 346.214 1.680 0 40 EDAB Cc1ccc2c(CN(C)C[C@H]3CCS(=O)(=O)C3)cc(=O)oc2c1 96419674 ZIKAYZRIGDZVHN-CYBMUJFWSA-N 335.425 1.968 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(CC(C)C)no1 30708394 CRUJNIRGGKSQEE-OAHLLOKOSA-N 328.416 1.941 0 40 EDAB O=C(NCCCN1CCCCCC1=O)c1ccc(-n2ccnc2)nc1 40493444 MEIIWTJKLXLZAQ-UHFFFAOYSA-N 341.415 1.790 0 40 EDAB CNC(=O)NC(=O)CN1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 40554268 UBUASBSHCLTFIS-UHFFFAOYSA-N 342.399 1.721 0 40 EDAB O=C(c1cnn(Cc2ccccc2)c1)N1CCN(c2cnccn2)CC1 11545336 QCXYBSUEEKYYCY-UHFFFAOYSA-N 348.410 1.684 0 40 EDAB CCc1nnc(NC(=O)Cn2nnc(-c3ccccc3F)n2)s1 922374 HJBONOOBIQJLOW-UHFFFAOYSA-N 333.352 1.532 0 40 EDAB CCN1C[C@H](C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)CC1=O 46166109 NLQJDIIIJDOWIE-DZGCQCFKSA-N 341.415 1.655 0 40 EDAB CC(C)n1c(=O)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c1=O 20610633 XBOQCCIQABNTMN-OAHLLOKOSA-N 340.383 1.540 0 40 EDAB biogenic C[C@@H]1C(=O)N(CC(=O)Nc2cccc(N3CCCC3=O)c2)C(=O)[C@@H]1C 101444774 QCDVOEFWSDKOPX-TXEJJXNPSA-N 343.383 1.393 0 40 EDAB CCNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 3354566 QCPSHIPURKJDCI-ZDUSSCGKSA-N 330.475 1.531 0 40 EDAB O=C(O)Cc1cccc(NC(=O)CCn2nc3ccccn3c2=O)c1 89878854 BLQBFQUVZINYFS-UHFFFAOYSA-N 340.339 1.152 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1OCC 8049892 CPLGSSCHLAWMJN-GFCCVEGCSA-N 329.418 1.941 0 40 EDAB Cc1ccccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 8853083 NPAMEUIAVAOAGT-LBPRGKRZSA-N 349.412 1.099 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 55279041 BMNOUEKHBDLAMS-JTQLQIEISA-N 338.791 1.761 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)n(C)c1 102445312 SDRVOYYMEBWSKP-FMCLSXCISA-N 339.461 1.488 0 40 EDAB NC(=O)C1(CNC(=O)Cc2ccc(-n3cccc3)cc2)CCOCC1 52744538 WOPLDCQDGNVTGS-UHFFFAOYSA-N 341.411 1.418 0 40 EDAB Cc1ncc2c(n1)CCN(CC(=O)/N=c1\cc[nH]n1[C@H](C)C1CC1)C2 103521671 HIJDBSXGKMWYAW-GOLNUVQQSA-N 340.431 1.371 0 40 EDAB NC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1 47270222 PKHVDRHPSWBHIF-LBPRGKRZSA-N 334.376 1.005 0 40 EDAB COc1ccc(C)cc1CN1CCN(C(=O)c2cnn(C)c2)CC1 24292399 FRYFMYXRZQQBKP-UHFFFAOYSA-N 328.416 1.695 0 40 EDAB CS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 107712503 XZJVEDMSJMAFCA-CVEARBPZSA-N 340.445 1.429 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)N(C)Cc2cnn(C)c2)C1=O 24479163 RIWPUAYUEFJDRX-LBPRGKRZSA-N 328.372 1.193 0 40 EDAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(-n2cccn2)c(F)c1 55716196 NKUUNCNXLILNRW-UHFFFAOYSA-N 330.319 1.489 0 40 EDAB CCCc1nnc(NC(=O)NC[C@H](O)CN2CCCCC2)s1 43555167 UNZBSXAZQFPBQL-NSHDSACASA-N 327.454 1.459 0 40 EDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)NCCc1ccc(F)cc1F 107143623 HGSUSNWCPBMOAG-WDEREUQCSA-N 334.388 1.451 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)N3CCC[C@@H]3C3CCCC3)cnc21 56034556 XSXZQFXYLCCUPP-OAHLLOKOSA-N 343.431 1.701 0 40 EDAB COCCCCNC(=O)N1CCC[C@H](C(=O)Nc2nccs2)C1 56868497 BGMHVLWEOVPQAL-LBPRGKRZSA-N 340.449 1.930 0 40 EDAB C[C@H](NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1)[C@@H]1CCCO1 107579782 BTGJTHZGJZRRGQ-IMJJTQAJSA-N 332.400 1.098 0 40 EDAB CCc1cnc(N2CC[C@@]3(C[C@@H](Oc4ncccn4)CO3)C2)nc1 107785654 JFYVSGIACZAJDP-RHSMWYFYSA-N 327.388 1.646 0 40 EDAB O=C1CC[C@H]2CN(S(=O)(=O)CC3CCCC3)CC[C@H]2N1C1CC1 108375782 SQOBGAMPQKHBTP-GOEBONIOSA-N 340.489 1.982 0 40 EDAB C[C@H](C(=O)NC(=O)NC1CCCC1)N1CCN(c2ccccc2)CC1 57617189 IXJSCLBOIIQLEC-OAHLLOKOSA-N 344.459 1.966 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(NCC(F)(F)F)s1 57773088 XERDRBKXVSYGHN-SCSAIBSYSA-N 343.356 1.449 0 40 EDAB C[C@H](NC(=O)C(=O)N[C@@H]1COc2ccccc2O1)c1ccccc1 27298928 AABYRQRTDIJIJY-LRDDRELGSA-N 326.352 1.778 0 40 EDAB CC(C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207833 ZWEKAXXSASWFJB-UHFFFAOYSA-N 334.825 1.494 0 40 EDAB C[C@@H]1NC(=O)c2nnn3c4ccc(Br)cc4c(=O)n1c23 67321011 GDJVQCOUSGDZRQ-RXMQYKEDSA-N 334.133 1.069 0 40 EDAB Cc1noc([C@H](C)NC(=O)CCN2C(=O)COc3ccccc32)n1 58265867 VHLAKNIRSQOIKU-JTQLQIEISA-N 330.344 1.371 0 40 EDAB O=C(Cn1c(-c2ccccc2)noc1=O)N1CCO[C@@H]2CCCC[C@H]21 58208684 WJYKVSBCLUYUTM-HUUCEWRRSA-N 343.383 1.673 0 40 EDAB COc1ccc(NC(=O)NCCCN(C(C)C)S(C)(=O)=O)cn1 48018229 MYMSQTARBBDPMP-UHFFFAOYSA-N 344.437 1.272 0 40 EDAB Cc1cc(CN(C)C(=O)NCc2cccnc2N2CCOCC2)no1 44968894 UIQRKJIHADHLFC-UHFFFAOYSA-N 345.403 1.556 0 40 EDAB Cc1csc(CNC(=O)NC[C@@H](C(C)C)N2CCOCC2)n1 44952936 IIMPKOFGOZMAMN-ZDUSSCGKSA-N 326.466 1.608 0 40 EDAB CCOc1ccc(SCc2nc3c(c(=O)[nH]c(=O)n3C)n2C)cc1 58377094 XJJBLITVKGNBCV-UHFFFAOYSA-N 346.412 1.651 0 40 EDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58341350 FPALAHVOIWLDCA-APPDUMDISA-N 335.379 1.898 0 40 EDAB COc1ccc(N[C@@H](C)C(=O)NC(C)(C)C)cc1NS(C)(=O)=O 36391987 ZLYQILDCPKHSPV-JTQLQIEISA-N 343.449 1.782 0 40 EDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC(=O)NC1CCCC1 3505419 CSRCQFZPIARFNS-UHFFFAOYSA-N 336.392 1.010 0 40 EDAB COc1cc(C(=O)NCc2nnc3n2CCC3)cc(OC)c1OC 12992900 KSTULGDMHDPSPF-UHFFFAOYSA-N 332.360 1.180 0 40 EDAB COc1cc(C(=O)O[C@@H](C)C(=O)NC(C)C)cc(OC)c1OC 8498978 SDLVTGMNPZYASB-JTQLQIEISA-N 325.361 1.782 0 40 EDAB C[C@@H](N[C@H]1CCCN(Cc2noc(C3CC3)n2)C1)C(=O)N1CCCC1 69739701 ARAZTKPLZSFXEK-HIFRSBDPSA-N 347.463 1.512 0 40 EDAB C[C@@H]1CN(CCCS(C)(=O)=O)CCN1C[C@H](O)c1ccccc1 69739232 MXFKBKMMVWUOLH-WBVHZDCISA-N 340.489 1.161 0 40 EDAB COC(=O)Cc1c(C)c2c(OCc3nn[nH]n3)cc(C)cc2oc1=O 4294684 PPUBQGVLSBQZDL-UHFFFAOYSA-N 344.327 1.217 0 40 EDAB O=C(CCNc1ncccn1)N1CCN(c2ccc(F)cc2)CC1 13721586 KOVVXJJPVFQJCL-UHFFFAOYSA-N 329.379 1.767 0 40 EDAB CC(C)(CNC(=O)NCCc1coc(-c2ccccc2)n1)C(N)=O 69818089 QWGUOVJCMNFLMU-UHFFFAOYSA-N 330.388 1.695 0 40 EDAB O=C(CNC(=O)c1ccco1)OCC(=O)N1CCCc2ccccc21 5212618 FNJVHLDCFBHMON-UHFFFAOYSA-N 342.351 1.532 0 40 EDAB Cc1cccc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)n1 114184044 QDKDAKYELFHXPU-UHFFFAOYSA-N 335.411 1.949 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)N1CCCc2ccccc21 14022143 LSXVPLFVZXALBZ-VIFPVBQESA-N 330.417 1.496 0 40 EDAB Cc1oc(-c2ccccc2)nc1C(=O)NCCCN1C(=O)CCC1=O 65575624 RTOLULJWQXIRMP-UHFFFAOYSA-N 341.367 1.919 0 40 EDAB COCCc1noc(Cn2c(=O)ncn2-c2cc(C)ccc2C)n1 92268127 NMEOTEHEPAKERG-UHFFFAOYSA-N 329.360 1.271 0 40 EDAB CCS(=O)(=O)NCCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 65605816 QRYHVWCNRZPKGZ-SJORKVTESA-N 346.452 1.999 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)NCC(=O)OCc1ccccc1 18233874 RIMBFVSEWPDTOQ-UHFFFAOYSA-N 341.363 1.860 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1cc(Cl)cnc1N)C2 90168459 RQWSXUYGWSJFJE-SNVBAGLBSA-N 341.824 1.115 0 40 EDAB COCCn1nc(C)c(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)c1C 90149308 CTEXNEUTVYKFTD-WBVHZDCISA-N 344.415 1.926 0 40 EDAB CCNC(=S)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 7402359 FJNAVJGBEWZBBR-UHFFFAOYSA-N 335.429 1.960 0 40 EDAB COc1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1F 7599125 LTWJISCVIBUCEL-UHFFFAOYSA-N 346.314 1.729 0 40 EDAB Cc1nccc(CNC[C@H](O)Cn2cnc3cc(C)c(C)cc32)n1 69173260 CYVXZCBKVVHRPT-INIZCTEOSA-N 325.416 1.902 0 40 EDAB COc1cccc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 9437680 AAEQLUQPOUHLKE-UHFFFAOYSA-N 330.340 1.611 0 40 EDAB CN(C)c1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 96307682 JZUGBFZAXWEHTM-HUUCEWRRSA-N 329.400 1.866 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CCS(=O)(=O)C2)ncc1Br 94063839 CADBAEMFCHGVCP-MRVPVSSYSA-N 333.207 1.526 0 40 EDAB C[C@@H](c1cccnc1)N1CCN(C(=O)Nc2cccn(C)c2=O)CC1 96435123 OITUDGDAYVRCJI-AWEZNQCLSA-N 341.415 1.691 0 40 EDAB Cc1cc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)c(C)o1 71821329 CTVUTOFQPPGWQE-UHFFFAOYSA-N 335.385 1.715 0 40 EDAB CCc1nc(CN(C)[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cs1 71828271 PMCYDZQEPWERKG-NEPJUHHUSA-N 338.477 1.250 0 40 EDAB CCOCCCNC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 409112726 CGEMMZFQYQPTAF-UHFFFAOYSA-N 344.433 1.004 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)[C@H](C)N2CCCCC2=O)c(C)nn1C 72234461 MDGSMTOJMFOOQR-KBPBESRZSA-N 348.447 1.802 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 97018987 IZMZVPHEVYHMHX-LSDHHAIUSA-N 345.447 1.735 0 40 EDAB O=C(NCCCO)c1ncc(Br)cc1Br 97115909 IPTBYVJIRKCDFV-UHFFFAOYSA-N 337.999 1.719 0 40 EDAB Cc1nccc(N2CCN(C(=O)NC[C@@H]3CCN(C4CC4)C3)CC2)n1 97136627 FVZDDZHSWLMQIE-HNNXBMFYSA-N 344.463 1.101 0 40 EDAB Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H]2CCc3nccn3C2)cc1 97197478 QOVWEXWBIRYTIG-CQSZACIVSA-N 347.440 1.487 0 40 EDAB CSc1ccc(NC(=O)[C@H](C)N2CCC(NC(N)=O)CC2)cc1 72308781 CWLRKILLYSUMOF-NSHDSACASA-N 336.461 1.868 0 40 EDAB CCc1c(C(=O)NCC(=O)NC2CC2)cnn1Cc1ccccc1 97295607 SPOYXNWSSCMNQY-UHFFFAOYSA-N 326.400 1.502 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CC(=O)NCc3sccc3C)CCO2)n1 76048594 PZEBSMXTULXOJC-LBPRGKRZSA-N 335.433 1.173 0 40 EDAB Cc1ccc(C)c([C@H](O)CN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)c1 76059133 RDELLBONJPZUIN-ZSZQSSIHSA-N 345.443 1.647 0 40 EDAB CC(C)n1ncc2c1C[C@H](NC(=O)CCCNC(=O)C1CC1)CC2 84633080 VJHINOWCSZEFEM-OAHLLOKOSA-N 332.448 1.744 0 40 EDAB CN(CC(=O)NCc1cccnc1)C[C@H]1OCCc2ccccc21 95395036 VBCUQFFFSFBKRV-GOSISDBHSA-N 325.412 1.944 0 40 EDAB CCCC[C@@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)C(N)=O 84742908 BJETUBNYSWMDMM-NXEZZACHSA-N 333.358 1.537 0 40 EDAB C[C@@H](CCN1CCCC1)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 95400526 YAYRMASEPJERDX-HKUYNNGSSA-N 345.487 1.878 0 40 EDAB O=C1CSc2ccc(C(=O)N[C@H]3CCO[C@]4(CCOC4)C3)cc2N1 95457937 HMDRMUVLXQNDBM-YVEFUNNKSA-N 348.424 1.799 0 40 EDAB C[C@@H](NC(=O)C(=O)Nc1ccccc1Cl)c1nnc2n1CCC2 95461158 HTPNJJBWHGYVRK-SECBINFHSA-N 333.779 1.694 0 40 EDAB Cn1ccc(CNC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 95440818 LRTIYUYPZYSPBJ-GJZGRUSLSA-N 333.388 1.652 0 40 EDAB Cc1cnn(-c2ccncc2NC(=O)C(=O)c2c(C)nn(C)c2C)c1 95434654 NZVLRZUXOBTNIW-UHFFFAOYSA-N 338.371 1.747 0 40 EDAB C[C@H](CNC(=O)NCc1ccc2c(c1)CCC2)CN1CCN(C)CC1 73750050 HQCXSYGVDDQTJU-MRXNPFEDSA-N 344.503 1.858 0 40 EDAB COC(=O)c1ccc([C@@H]2c3c(cc(C)oc3=O)O[C@@H]2C(=O)OC)cc1 85413661 CSVZLRFYXOSJBI-HIFRSBDPSA-N 344.319 1.801 0 40 EDAB Cc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)cc1Br 95946481 ZKVOEDPBGTXLCZ-CABZTGNLSA-N 344.230 1.907 0 40 EDAB COc1cccc(-c2cc(C(=O)N(C)Cc3ncnn3C)[nH]n2)c1 95967538 ZYQZATKIBWZNMM-UHFFFAOYSA-N 326.360 1.486 0 40 EDAB CC(=O)N1CCN(Cc2ccc(OCCN3CCCC3)cc2)CC1 95982254 QZCJADFKWBMACK-UHFFFAOYSA-N 331.460 1.825 0 40 EDAB CCCc1cc(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)[nH]n1 95983540 HVHUCFNPDXCWRG-OAHLLOKOSA-N 331.420 1.926 0 40 EDAB COC1CCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)CC1 79069046 FLGSHSKAFWBSDJ-GFCCVEGCSA-N 343.420 1.873 0 40 EDAB Cc1cc(C)c(CNC(=O)NCc2ccnc(N(C)C)c2)c(=O)[nH]1 75111123 TXDJNBDUGOVXSN-UHFFFAOYSA-N 329.404 1.452 0 40 EDAB CCCCC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccnn1C 306139783 UAISXOAIDZHMDM-AWEZNQCLSA-N 348.447 1.348 0 40 EDAB O=C(NCCCn1cccnc1=O)[C@H]1Cc2cc(Cl)ccc2O1 552265191 NGIWOVZMDAIVHS-CQSZACIVSA-N 333.775 1.407 0 40 EDAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)cc1 409276847 XARPODGKCZQSBQ-ZUMXRPEOSA-N 327.336 1.181 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C(C)(C)CO1 36076004 LEPZCEUNAYIHKR-LLVKDONJSA-N 338.429 1.394 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2F)on1 32929835 ODPDMASBWHLWIZ-UHFFFAOYSA-N 330.312 1.815 0 40 EDAB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C)c1ccccc1 409003934 VZDMCPSAQFFVTB-TZMCWYRMSA-N 335.404 1.490 0 40 EDAB CCCC(=CC(=O)N1CCS(=O)(=O)C[C@H](C(=O)OC)C1)CCC 521396335 NLMZSHLQESUUSY-CQSZACIVSA-N 345.461 1.559 0 40 EDAB COc1ccc(C(=O)O)cc1S(=O)(=O)N[C@]12C[C@H]1COC2(C)C 530152886 NHRZXUAOOSXLST-ZUZCIYMTSA-N 341.385 1.239 0 40 EDAB Cc1ccccc1[C@H](O)CNC(=O)c1cccc(S(C)(=O)=O)c1 79028403 JLVGHTIEOYXZBT-MRXNPFEDSA-N 333.409 1.862 0 40 EDAB N[C@]12CC[C@H]1CN(C(=O)NCc1cccc(CN3CCCC3)c1)C2 1553427509 OAXQTYDMJQTQOY-HKUYNNGSSA-N 328.460 1.915 0 40 EDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1 71979975 FJVVQCCDPDYTDE-CYBMUJFWSA-N 338.791 1.688 0 40 EDAB O=C(O)CC[C@@H]1NC(=O)N(c2cccc(OC(F)(F)F)c2)C1=O 218711859 GAWYSRBWUMULDM-VIFPVBQESA-N 332.234 1.875 0 40 EDAB CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC23CCC3)CC1 1054795006 RQVAJIKWXPQDIE-JYJNAYRXSA-N 349.475 1.352 0 40 EDAB C[C@H](c1ccc(F)cc1)N(C)CC(=O)N[C@]1(C)CCS(=O)(=O)C1 35264463 JFLIUXGHAHHPJB-MLGOLLRUSA-N 342.436 1.512 0 40 EDAB Cc1noc(C)c1C(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O 38845100 JJEVKIJLBAJHFD-UHFFFAOYSA-N 344.371 1.478 0 40 EDAB Cc1ccsc1S(=O)(=O)NCc1cccc(OCC(=O)O)c1 564839127 ACUWGRHZMKJQES-UHFFFAOYSA-N 341.410 1.998 0 40 EDAB Cc1cnc(S(=O)(=O)CC(=O)N2c3ccccc3C[C@H]2C)nc1 193887223 AIFHHJMPARHWSE-GFCCVEGCSA-N 331.397 1.537 0 40 EDAB CCOc1ncccc1C(=O)NC1CCN(c2cc(C)[nH]n2)CC1 225750959 AHNMXPMMJZZIEO-UHFFFAOYSA-N 329.404 1.911 0 40 EDAB CCN(C)S(=O)(=O)N1Cc2ccccc2C[C@@H]1c1nnc(C)o1 96489056 MUANCACETMCXPM-CQSZACIVSA-N 336.417 1.674 0 40 EDAB COc1cccc(CC(=O)N2Cc3ncn(C)c3[C@H](C(=O)O)C2)c1 96067821 LWHQBJLJKHQTFF-CYBMUJFWSA-N 329.356 1.182 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H](C(=O)NCC3CC3)C3(CCOCC3)C2)o1 96240828 OSJHIKOYHHIUMI-HNNXBMFYSA-N 346.427 1.983 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2[C@@H]1CC[C@@H]2CNc1cccnc1 96082608 JMTPRLRXQOWECX-XOKHGSTOSA-N 339.399 1.603 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCCCn2ccnc2)[C@H]1c1cccs1 96181171 ZQEANEUPWAYVFL-DOMZBBRYSA-N 332.429 1.671 0 40 EDAB C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1S(=O)(=O)c1cn(C)cn1 96415054 LNQVHFSECXWSPD-DVOMOZLQSA-N 335.429 1.959 0 40 EDAB C[C@H]1CN=C(N2CCN(c3ncc(Br)cn3)CC2)S1 96424099 SRJQRSRHYFBHTJ-VIFPVBQESA-N 342.266 1.852 0 40 EDAB O=C(c1ccc(F)cc1)N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 96038544 SWSUPDCKRYVBBK-JKSUJKDBSA-N 342.374 1.593 0 40 EDAB C[C@H]1N(CC2CC2)C(=O)COC12CCN(Cc1cnn(C)c1)CC2 96201560 IOABUOBTXMBLCA-CQSZACIVSA-N 332.448 1.412 0 40 EDAB O=C(c1cccc(-n2cccn2)c1)N1CC[C@H](N2CCOC2=O)C1 618254194 NTEGCPVEQZGMFG-HNNXBMFYSA-N 326.356 1.539 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2Cc2ccoc2)N1CCN1CCOCC1 96186313 HEADFFSXLQTKIP-IRXDYDNUSA-N 333.432 1.177 0 40 EDAB C[C@@]1(C(=O)NCCCN2CCOCC2)CC(c2ccccc2F)=NO1 96192690 QSEFJIKGWAMDOY-SFHVURJKSA-N 349.406 1.547 0 40 EDAB CCc1ccc(NC(=O)c2ccc(C(=O)O)cn2)cc1S(N)(=O)=O 584097135 ICSHEKPIVZZUQA-UHFFFAOYSA-N 349.368 1.242 0 40 EDAB CN(C)CC(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 248059795 YVSFAMWXHQDWPP-CQSZACIVSA-N 328.478 1.078 0 40 EDAB C[C@@H]1CN(CCN(Cc2ccccc2)S(C)(=O)=O)CC[C@@H]1O 252527846 DMKDPPMSNMKNSM-ZBFHGGJFSA-N 326.462 1.151 0 40 EDAB O=C(c1cccc2cccnc12)N1CC[C@@](O)(CN2CCCC2)C1 257331222 XRWPIMMFBFTXGK-LJQANCHMSA-N 325.412 1.908 0 40 EDAB C=CC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 585086868 JIXTZILBWDPDJP-UHFFFAOYSA-N 334.372 1.183 0 40 EDAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)c1cc(C2CC2)on1 253472179 JYJJJMDIRMLVSI-ZDUSSCGKSA-N 330.340 1.787 0 40 EDAB COc1ccc2nc(SCC3CN(S(C)(=O)=O)C3)[nH]c2c1 585119192 WKBJAHXSJASCTC-UHFFFAOYSA-N 327.431 1.555 0 40 EDAB O=C(C[C@@H]1CCCS(=O)(=O)C1)N1CC(Nc2ccc(F)cc2)C1 585137726 QSDVRUULHXDXLJ-LBPRGKRZSA-N 340.420 1.663 0 40 EDAB Cc1ccc(CC(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)s1 257277457 NYBAVUQVEDIAGY-BFYDXBDKSA-N 338.473 1.282 0 40 EDAB COc1ccc(C2(C(=O)N3C[C@@H](O)[C@H](N4CCCC4)C3)CC2)cc1 257320902 VZDNARXSGGEIGQ-IAGOWNOFSA-N 330.428 1.394 0 40 EDAB Cc1oc2c(c1C(=O)N1CC[C@@H]3OCC(=O)N(C)[C@H]3CC1)CCCC2 257327116 XAABKHMDCGKSNG-HOCLYGCPSA-N 346.427 1.929 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2cccnc2OC)n1 257202206 AKWSHULRPZZVBP-ZDUSSCGKSA-N 343.387 1.444 0 40 EDAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCN(C(=O)CO)C2)n1 257260895 LEYHHHCEAPCKSN-LLVKDONJSA-N 333.417 1.602 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C2CCN(C(C)=O)CC2)n1 257250327 JMBWDLWUQMNWEB-SFHVURJKSA-N 345.447 1.261 0 40 EDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2cccc(O)n2)nc1 257323218 WJEUPLDCQWJOFB-MRXNPFEDSA-N 340.383 1.796 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1c(C)noc1C 257290292 QCHSPFAHUSZOGD-CQSZACIVSA-N 330.388 1.864 0 40 EDAB Cc1nnc(CN(C)C(=O)c2ccc3c(c2)[C@@H](CN)CCC3)n1C 1615549418 BCJCIDHMNDHNPN-OAHLLOKOSA-N 327.432 1.774 0 40 EDAB COc1ccc(CCC(=O)O)cc1NS(=O)(=O)c1cn[nH]c1 390835645 TZAJZTGDILQSOX-UHFFFAOYSA-N 325.346 1.236 0 40 EDAB Cn1cnc2c1C[C@H](CNS(C)(=O)=O)N(CC1CCCCC1)C2 585094988 YHXWYKMUOJCURQ-CQSZACIVSA-N 340.493 1.276 0 40 EDAB O=C(C1CC(O)C1)N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 585101040 YONGGPIJATYYSL-AJUCZRQESA-N 334.441 1.865 0 40 EDAB Cc1cc(N2CCOC[C@@](O)(COc3cccc(F)c3)C2)ncn1 585276076 LTBQUVUACOCEPS-QGZVFWFLSA-N 333.363 1.571 0 40 EDAB CC(C)CCN1C[C@@H]2C(=O)NC3(CCN(c4cnccn4)CC3)[C@H]2C1 585106254 ZGUUCARWLQGJSK-HOTGVXAUSA-N 343.475 1.540 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CNc2ccc(C(N)=O)cc2)c1 52871952 BXKRQIMIUASEPM-UHFFFAOYSA-N 333.413 1.648 0 40 EDAB CN1CCN(C[C@H](Nc2ncnc3[nH]ncc23)c2ccccc2)CC1 68910536 JOVASTBDWCNAMA-INIZCTEOSA-N 337.431 1.754 0 40 EDAB Cc1noc(Cl)c1CC(=O)N1CCN(c2nccs2)CC1 69327391 HAKYRKOMIYLOAR-UHFFFAOYSA-N 326.809 1.984 0 40 EDAB C[C@H]1CN(CC(=O)NCc2cccs2)CCN1Cc1nccn1C 69455808 ORXCTGSBWBCONZ-AWEZNQCLSA-N 347.488 1.304 0 40 EDAB CC(C)(C)c1cc(NC(=O)CN2CCC[C@H]2Cn2cncn2)on1 69484836 ODVIGXTZNHJBIZ-LBPRGKRZSA-N 332.408 1.667 0 40 EDAB Cc1cnn(C[C@@H](C)N[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 69564486 CWXAZXOGHUPVOC-ZIAGYGMSSA-N 341.415 1.543 0 40 EDAB O=S(=O)(NCC[C@@H](O)C1CC1)c1ccc(Br)cc1 77108118 SNPYFJVLTVVGIP-GFCCVEGCSA-N 334.235 1.888 0 40 EDAB Cc1cc(N2CCCCC2)nc(CNC(=O)COc2ncccn2)n1 96120820 GEUJIMKSOIFWIL-UHFFFAOYSA-N 342.403 1.261 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)no1 585613843 SMGAYHQWBYHLIC-KBPBESRZSA-N 339.399 1.859 0 40 EDAB COC(=O)c1ccc2c(S(=O)(=O)N3CCC[C@@H]4C[C@@H]43)ncn2c1 1615001847 ALOYBGFOXQAPLC-MFKMUULPSA-N 335.385 1.294 0 40 EDAB COCCC(=O)N1CCN(Cc2cc(-c3cccnc3)nn2C)CC1 19289011 USCZZAMPMQYJDV-UHFFFAOYSA-N 343.431 1.163 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1NC(=O)CC 408697450 JIKHJQQYAHDJNJ-NSHDSACASA-N 344.433 1.747 0 40 EDAB Cc1noc(C)c1C(=O)N1CC[C@H](Oc2cncc(N(C)C)n2)C1 225403722 ANFRFMJMDQXULX-LBPRGKRZSA-N 331.376 1.441 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc3c(c2)OCO3)c1 5577270 ROOVAEPHKCFTTB-UHFFFAOYSA-N 349.364 1.885 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2cn(C)cn2)C3)nc1 1888864237 XJKAVFBRCDTQBL-RDTXWAMCSA-N 341.415 1.840 0 40 EDAB Cc1nc(N2CCN(c3ncc(F)cn3)CC2)cc(-n2cccn2)n1 1888869524 MQSFZVFGCWNRDS-UHFFFAOYSA-N 340.366 1.226 0 40 EDAB O=c1n(Cc2ccc(Cl)cc2)nc2c(-n3ccnc3)nccn12 1888921743 NHTKOBFHKRRHLK-UHFFFAOYSA-N 326.747 1.778 0 40 EDAB O=C([C@H]1CN(c2ncc(Br)cn2)CCO1)N1CCCC1 1889095437 DLAFQIYROGENNV-LLVKDONJSA-N 341.209 1.067 0 40 EDAB CC(=O)N[C@@H](C(=O)NC[C@H](C)N1CCc2sccc2C1)C(C)C 31963610 SGKNURVNONANTK-BLLLJJGKSA-N 337.489 1.772 0 40 EDAB O=S(=O)(c1cccc2nsnc12)N1CC[C@H](c2ncon2)C1 238816775 BQMKPIDETNZACR-QMMMGPOBSA-N 337.386 1.253 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)nc1 2037984872 QGESNLKAZGXYFK-GOSISDBHSA-N 331.416 1.490 0 40 EDAB CCc1cnc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)nc1 2086923653 DPCPZPSNWMZRBT-ZDUSSCGKSA-N 340.374 1.502 0 40 EDAB O=C(c1cc[nH]n1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 1565545275 YRUZNLCZZZVCRS-ZDUSSCGKSA-N 342.403 1.466 0 40 EDAB CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1 119712 PJWLLWSLQLAJKO-UHFFFAOYSA-N 345.378 1.457 0 40 EDAB COc1cccc(-c2nnc(SCC(=O)N3CCOCC3)o2)c1 428210 KDFDNTWTZTYRNQ-UHFFFAOYSA-N 335.385 1.696 0 40 EDAB Cc1ccc(N2C[C@H](NC(=O)NC[C@H]3CCCO3)CC2=O)cc1C 4373190 LLHDEFCASKVQFT-GDBMZVCRSA-N 331.416 1.887 0 40 EDAB O=C(Cn1cnc2c(nnn2-c2cccc(F)c2)c1=O)c1ccccc1 4341802 BNMJCDLPSQITID-UHFFFAOYSA-N 349.325 1.999 0 40 EDAB CCCCN1CC2=C(C1=O)[C@H](c1ccc(OC)c(OC)c1)NC(=O)N2 8277457 MNLWQLHJJZSSFV-INIZCTEOSA-N 345.399 1.954 0 40 EDAB CSCC[C@H](O)CNS(=O)(=O)c1ccc(-n2cccn2)cc1 1775967361 OBZCUBBAJXZTFS-ZDUSSCGKSA-N 341.458 1.265 0 40 EDAB CCOC(=O)N1CCC(NC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 38490225 SGJCQPWIMYUQOK-UHFFFAOYSA-N 347.415 1.979 0 40 EDAB O=C(NCCN1CCN(C(=O)c2ccsc2)CC1)c1cccs1 38680407 XLXOSEWCZLJDAO-UHFFFAOYSA-N 349.481 1.997 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2nc(-c3cnn(C)c3)no2)s1 575414650 MBZLHIGOWUFSTM-UHFFFAOYSA-N 339.402 1.319 0 40 EDAB C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 37604 VAXUKQROJSVAPE-LBPRGKRZSA-N 344.392 1.709 0 40 EDAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)NC(C)C)c1C 50515972 SGLPTZONLQZJEB-UHFFFAOYSA-N 330.454 1.055 0 40 EDAB Cc1ccc2nc(C)cc(C(=O)NCCCNS(C)(=O)=O)c2c1 40497044 OVODMQDGMNLTNO-UHFFFAOYSA-N 335.429 1.521 0 40 EDAB CCOCc1ccccc1CNC(=O)CN1CCC(C(N)=O)CC1 51186046 SGIDZARYSRBEND-UHFFFAOYSA-N 333.432 1.037 0 40 EDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 83166 JOPLOZRENDDSIF-ZDUSSCGKSA-N 336.344 1.513 0 40 EDAB NC(=O)COc1cccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 29341529 UCTZOBRJMXYTRU-UHFFFAOYSA-N 347.758 1.555 0 40 EDAB Cc1cc2nc(NC3=N[C@H](CC(=O)O)C(=O)N3)nc(C)c2cc1C 261074 QDIZAAAYRMOCCF-GFCCVEGCSA-N 327.344 1.296 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)c1ccc(F)cc1-n1cnnn1)C(=O)OC 20738175 BDKHJQNILLBFIS-RNCFNFMXSA-N 335.339 1.119 0 40 EDAB CC1=NN(C(=O)C(=O)NCCc2ccccc2)[C@](O)(C(F)(F)F)C1 3905084 BZEBVLGJBLVFFJ-CQSZACIVSA-N 343.305 1.204 0 40 EDAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(CCO)cc2n(C)c1=O 21168209 IXGFJBVNGQVMAN-UHFFFAOYSA-N 333.775 1.351 0 40 EDAB O=C(C1=COCCO1)N1CCN(c2nc3c(F)cccc3s2)CC1 4583520 RSYVNBHVNSJFRO-UHFFFAOYSA-N 349.387 1.972 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(Cc3cncc(Cl)c3)C2)C1 108528845 SDFJMIOGSJWMAY-UHFFFAOYSA-N 329.853 1.639 0 40 EDAB COc1ccc([C@@H](CNC(=O)c2ccncc2)N2CCOCC2)cc1 33026091 KISPDZMJSWRXHA-GOSISDBHSA-N 341.411 1.894 0 40 EDAB Cc1nn(C)c2cnn(CCNC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c12 57279865 GEDKMUIIQDLPGA-NEPJUHHUSA-N 333.392 1.085 0 40 EDAB Cc1nn(C)cc1CN(C)C(=O)c1nn(C)c(C)c1Br 2778061 ZAERXOSNWVZZER-UHFFFAOYSA-N 340.225 1.805 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@H](N3CC=CC3)C2)c(C)c1F 104393757 AHBRIHPISAXPFM-ZDUSSCGKSA-N 340.420 1.778 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)Cn2ccc(C(F)(F)F)n2)C1 41977566 TVBLKHXGRHLQMF-LBPRGKRZSA-N 348.369 1.375 0 40 EDAB O=C(CCN1CCSC1=O)NCc1nncn1-c1ccccc1 42496313 BGCJBZWGMBCSGQ-UHFFFAOYSA-N 331.401 1.442 0 40 EDAB Cc1csc(=O)n1CCC(=O)NC[C@H](C)N1CCC[C@H](C)C1 46954765 NJVIIPLICRCKDS-STQMWFEESA-N 325.478 1.845 0 40 EDAB CC(=O)CC(C)(C)NC(=O)CCN1CCN(c2ccccn2)CC1 23624677 JHJCFPULSDMOPQ-UHFFFAOYSA-N 332.448 1.468 0 40 EDAB CNC(=O)NC(=O)CNc1ccc(NC(C)=O)cc1C(F)(F)F 23901545 HVIBUCYGHKQZOS-UHFFFAOYSA-N 332.282 1.531 0 40 EDAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 24050992 ZJMQRYLUQCCIHD-UHFFFAOYSA-N 325.411 1.569 0 40 EDAB O=C(NCCc1ccccn1)N[C@H]1CCCN(c2ncccn2)C1 42964655 XTPBCFPPROMHIT-HNNXBMFYSA-N 326.404 1.382 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1ncc(-c2ccccc2)o1 24806065 IBNVHDXTTRUOFD-ZDUSSCGKSA-N 329.356 1.205 0 40 EDAB Cc1cc(NC(=O)NCc2ccc(CN3CCOCC3)cc2)n(C)n1 43434650 HTFTUFINARMURA-UHFFFAOYSA-N 343.431 1.882 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN([C@@H](C(N)=O)c3ccc(F)cc3)C2)n1 106783254 VEAXDIGCTKMNLB-WMLDXEAASA-N 345.422 1.973 0 40 EDAB Cc1csc(N2CCCN(C(=O)CN3CSCC3=O)CC2)n1 55759341 JBRJWVWGBXUWJB-UHFFFAOYSA-N 340.474 1.023 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 108956023 VYAXDGKOZKVPIZ-VRKREXBASA-N 342.505 1.989 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H]2Cc3ccccc3O2)cc1C(N)=O 26865031 QZTYLXPVOIAWRK-CYBMUJFWSA-N 346.408 1.376 0 40 EDAB CN(C)C(=O)CCN(CCO)Cc1cc(Br)ccc1F 57842280 WKZSFKBQDJTNOJ-UHFFFAOYSA-N 347.228 1.861 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 44607131 FQXSSUFGNYRHJV-UHFFFAOYSA-N 342.848 1.475 0 40 EDAB COCCOc1ccc(S(=O)(=O)N2C[C@H](C)N[C@H](C)C2)cc1 109067000 ZFNWBPMUVOVEGS-BETUJISGSA-N 328.434 1.083 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1cn2ccsc2n1 12529455 ADHSEEXNDHVQQE-AWEZNQCLSA-N 340.408 1.377 0 40 EDAB CNC(=O)CN(C)C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 44873336 JYMWPXZETLTDQG-UHFFFAOYSA-N 348.790 1.012 0 40 EDAB NC(=O)N1CCC[C@@H]1COC(=O)c1csc(Nc2ccccn2)n1 89883920 HITFSDAGTRNVBU-SNVBAGLBSA-N 347.400 1.982 0 40 EDAB CN(CC(=O)Nc1cc(Cl)ccc1O)[C@@H]1CCS(=O)(=O)C1 58247369 DJHHVBIBXXDQHV-SNVBAGLBSA-N 332.809 1.103 0 40 EDAB COc1ccc(NC(=O)NC[C@H](O)COc2cccc(F)c2)cn1 44969955 DTYZISZSQVCHBB-ZDUSSCGKSA-N 335.335 1.791 0 40 EDAB O=C(NCCNc1ncccn1)[C@H]1CC(=O)N(Cc2ccccc2)C1 44942907 BVSCDUDJMVTTQB-HNNXBMFYSA-N 339.399 1.053 0 40 EDAB COc1c(CN[C@H]2CCN(Cc3ccccc3)C2=O)c(C)nn1C 58331260 RSLLXOVURVURAQ-INIZCTEOSA-N 328.416 1.628 0 40 EDAB COc1ncccc1CNC(=O)NCC(=O)NCCc1ccccc1 58558619 OPAXIBPJXGVTLP-UHFFFAOYSA-N 342.399 1.248 0 40 EDAB O=C(COC(=O)[C@@H]1CCC(=O)N1)Nc1ccccc1Br 3297026 HLWVOTUEYNPSJS-JTQLQIEISA-N 341.161 1.209 0 40 EDAB O=C(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cn1 69144806 NDSBPLIJYOMGFT-SECBINFHSA-N 333.207 1.151 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 48234315 LHHVPASZTQNHAY-UHFFFAOYSA-N 339.399 1.557 0 40 EDAB O=C(NCc1cc[nH]n1)NC[C@H](c1ccccc1)N1CCOCC1 48232276 LVZSUGVUUDGLCF-MRXNPFEDSA-N 329.404 1.282 0 40 EDAB Fc1ccc([C@H](CNc2ccc3nnnn3n2)N2CCOCC2)cc1 12855186 FUBSSCOXSICYBV-AWEZNQCLSA-N 343.366 1.144 0 40 EDAB Cc1nc(S(=O)(=O)NCC(=O)N[C@H](C)CCCC(C)C)cn1C 69373094 FGPMSLZXMPBZSJ-GFCCVEGCSA-N 344.481 1.338 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 63688943 DMYKWOTWMJJEKN-CYBMUJFWSA-N 338.429 1.031 0 40 EDAB O=C(OCc1nn(-c2ccccc2)c2c1CCC2)[C@H]1COCCO1 63971799 STVJOOKJSBGWEM-QGZVFWFLSA-N 328.368 1.820 0 40 EDAB Cc1c(C(=O)N2CCC[C@@H](C(N)=O)C2)nnn1-c1ccccc1Cl 69483877 NVUQGERFSVEBST-LLVKDONJSA-N 347.806 1.567 0 40 EDAB C[C@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1cccnc1 65452888 GNIAFLSIJLPZKG-GXTWGEPZSA-N 340.449 1.256 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)NCc2ccc(C)nc2)c1 65412622 CGEYDBDGYOILDU-INIZCTEOSA-N 345.399 1.940 0 40 EDAB CC(C)(CNC(=O)NCc1ccc2c(c1)OCO2)N1CCOCC1 65430406 BVRVCUVVZIASTP-UHFFFAOYSA-N 335.404 1.325 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1 4498266 DIMPCSNZRNGQNZ-SNVBAGLBSA-N 342.804 1.916 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2C)cc1 14022137 DEWQQEPVWPHEAR-UHFFFAOYSA-N 332.425 1.974 0 40 EDAB CN(CCNC(=O)C1CCN(S(C)(=O)=O)CC1)C1CCCCC1 65514973 KPPOLYHOEYJCLS-UHFFFAOYSA-N 345.509 1.039 0 40 EDAB NC(=O)CCCNC(=O)c1cc(Br)c2c(c1)OCCO2 65565099 DOVISGUJMKXFTQ-UHFFFAOYSA-N 343.177 1.216 0 40 EDAB CC(C)(CNC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccc2c(c1)OCO2 65624112 ICYBBMSFGXCTDQ-GFCCVEGCSA-N 347.415 1.600 0 40 EDAB O=C(N1CCCCC1)N1CCN(c2nnnn2-c2ccccc2)CC1 14333111 ZQMDOKOMLKBPKP-UHFFFAOYSA-N 341.419 1.390 0 40 EDAB Cc1nnc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)s1 18119788 DVXNGUAFUKDAPR-UHFFFAOYSA-N 330.369 1.748 0 40 EDAB O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)c1ccco1 5516637 HSWGQYKDHRTVGX-MIGQKNRLSA-N 334.331 1.635 0 40 EDAB Cc1nn(CC(=O)N2CCCC2)c(C)c1I 4717554 WDLMHFONOJNGSM-UHFFFAOYSA-N 333.173 1.727 0 40 EDAB COc1nc(C)ccc1CNC(=O)C(=O)N1CCCc2ccccc21 66221361 RAQDRIVRHRBLSR-UHFFFAOYSA-N 339.395 1.994 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 69927945 YUVSWIBHNLGOCQ-INIZCTEOSA-N 336.432 1.159 0 40 EDAB CC[C@@H]1CN(CCC(=O)NC2CCCCC2)CCN1CCOC 69951203 APYNEPDQVBQGNX-QGZVFWFLSA-N 325.497 1.868 0 40 EDAB NC(=O)c1c(NC(=O)CCNC(=O)c2ccco2)sc2c1CCC2 7007110 IYWVCAWJUILPGG-UHFFFAOYSA-N 347.396 1.687 0 40 EDAB CCN(CC)C(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 7346095 ZUWNVVPKBZCDIW-UHFFFAOYSA-N 334.445 1.775 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(OCC(N)=O)cc2)C1 7580833 NHLDNFFVPFOZQZ-BETUJISGSA-N 348.399 1.212 0 40 EDAB O=C(Cc1cccc(I)c1)N1CC(CO)C1 96012161 HCMUNNZOISTYMC-UHFFFAOYSA-N 331.153 1.284 0 40 EDAB CCNC(=S)N1CCN(c2nc(CC)nc3c(C)nn(C)c23)CC1 28559438 MQKPHCDBGMZHEM-UHFFFAOYSA-N 347.492 1.251 0 40 EDAB CC/C=C(\C)C(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1 96256270 SURRKPCTRGDMNX-WLRTZDKTSA-N 340.445 1.584 0 40 EDAB CC(=O)Nc1nc(CN2CCN([C@@H]3CCSC3)CC2)cs1 96468522 CAKPINJNKFFMEH-CYBMUJFWSA-N 326.491 1.725 0 40 EDAB Cn1cc([C@@H]2CCCN2C[C@H](O)CN2CCc3ccccc3C2)cn1 71876864 PQPPEEOSDITJBL-UXHICEINSA-N 340.471 1.976 0 40 EDAB O=C(c1ccccn1)N1CCCN(Cc2nnc(C3CC3)o2)CC1 71828157 KVGYBGCAALRNOG-UHFFFAOYSA-N 327.388 1.690 0 40 EDAB CC(C)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CCCO2)c1 71894004 PFJLBVDYJWKWHS-NSHDSACASA-N 329.393 1.917 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1Cn1ccnc1)N1CCOCC1 71851017 JYZAAVZWYOEZLJ-HNNXBMFYSA-N 328.416 1.268 0 40 EDAB O=S(=O)(CCc1nnc(S)n1-c1ccccc1)N1CCCC1 19941848 QSNJZVURBXKEFE-UHFFFAOYSA-N 338.458 1.524 0 40 EDAB CCS(=O)(=O)CCn1ccc(NC(=O)c2ccc(C)cc2O)n1 71916745 KHXGFVRKEQJQOB-UHFFFAOYSA-N 337.401 1.584 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CS(=O)(=O)C(C)C 72234107 TZEHFKSWEHTMRQ-ZDUSSCGKSA-N 327.450 1.524 0 40 EDAB Cn1nnc2ccc(C(=O)OCc3ccnc(-n4ccnc4)c3)cc21 97113074 BHBWYWBVVPWTOU-UHFFFAOYSA-N 334.339 1.906 0 40 EDAB Cc1cc(NC(=O)CN2CCc3nn(C(C)C)c(=O)cc3C2)no1 76064925 GGURHDJTZWDVTR-UHFFFAOYSA-N 331.376 1.117 0 40 EDAB CCNC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CCCS2)c1 72312539 YCZFFCOOFDJADD-ZDUSSCGKSA-N 336.413 1.814 0 40 EDAB Cn1c(CN2CCO[C@H](c3nc(C(C)(C)C)n[nH]3)C2)nnc1C1CC1 76049700 SODBSEANPDOBNR-LBPRGKRZSA-N 345.451 1.682 0 40 EDAB Cc1ccsc1CNC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 78316526 LTWDMUWZIPRHPC-UHFFFAOYSA-N 333.417 1.348 0 40 EDAB CNC(=O)CN1CCN(C(=O)c2ccc3c(c2)ncn3C(C)C)CC1 95404099 AIUXTJHCEMGRHL-UHFFFAOYSA-N 343.431 1.121 0 40 EDAB O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(F)nc1 73583201 YYXJNUJJKHUAKK-QGZVFWFLSA-N 343.402 1.894 0 40 EDAB CCCc1nc([C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)CCO2)n[nH]1 78894352 IDBSFAFRDRBXNW-CABCVRRESA-N 349.479 1.920 0 40 EDAB C[C@@H](NC(=O)N[C@H](Cn1cncn1)c1ccccc1)c1cnn(C)c1 95962793 YCHQREMBCHDZNG-CZUORRHYSA-N 339.403 1.813 0 40 EDAB O=C(COc1cccc(N2CCCC2=O)c1)NCc1ccncc1 95964228 DVVTWEMLMBJHBS-UHFFFAOYSA-N 325.368 1.904 0 40 EDAB C[C@@]1(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CCCO1 79070213 CFSOFUUGPPGSBF-APWZRJJASA-N 330.428 1.905 0 40 EDAB CCc1n[nH]c(=O)c(CNC(=O)N(C)Cc2cc(C)on2)c1CC 89282543 GEHWDIYXTGVIDU-UHFFFAOYSA-N 333.392 1.533 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)n1 89289760 YFOYTWLPUWUXSC-HNNXBMFYSA-N 342.399 1.445 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cccc(C(N)=O)c1 89280034 VPKVIBJHLHKGKR-UHFFFAOYSA-N 336.417 1.445 0 40 EDAB CN1CCc2c(NC(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)cccc21 89385677 ORKCYEKPOGMSQX-ZBFHGGJFSA-N 328.416 1.954 0 40 EDAB COC(=O)c1cccc2[nH]/c(=N\C(=O)[C@@H]3COc4ccccc43)[nH]c12 89406971 UUZCHSUNTXLYSB-GFCCVEGCSA-N 337.335 1.886 0 40 EDAB COc1cc(NC(=O)N2CCC[C@@H]2C(N)=O)c(OC)cc1Cl 89420796 YRZSIKMSXBFSGW-SNVBAGLBSA-N 327.768 1.839 0 40 EDAB Cc1ccccc1-c1cnc(NC(=O)Cn2ccc(=O)[nH]c2=O)s1 75093341 ZNNKVEZKJWILAO-UHFFFAOYSA-N 342.380 1.607 0 40 EDAB C[C@@H](NS(=O)(=O)c1cnn(C)c1)[C@@H](O)c1ccc(F)c(F)c1 89598484 DCOVUAWCMFTZPG-AMIZOPFISA-N 331.344 1.099 0 40 EDAB CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CC(C)(C)C)cc1 75140446 VOXWCKFPUWGANN-ZDUSSCGKSA-N 342.461 1.512 0 40 EDAB O=C1[C@H](N2CCC[C@H](OCCO)C2)CCN1c1cccc(Cl)c1 177181451 TUQJOEAXSMVSCQ-JKSUJKDBSA-N 338.835 1.919 0 40 EDAB Cc1csc([C@@H](NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)C2CC2)n1 89705378 VYZWHPCUQIHFFQ-FZMZJTMJSA-N 334.445 1.965 0 40 EDAB Cc1nnc(CN(C)[C@H]2CCN(CCOc3cccc(F)c3)C2)n1C 89735999 ARDYHGWKEPUSOF-INIZCTEOSA-N 347.438 1.848 0 40 EDAB C[C@H](C1CC1)N(C(=O)CN(C)C1CCS(=O)(=O)CC1)C1CC1 79470099 NOBAEPSYRXYHBW-GFCCVEGCSA-N 328.478 1.285 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc(O)c1)C2 306127297 FUOFMFBPJXTWPR-ZDUSSCGKSA-N 339.413 1.058 0 40 EDAB CCOC(=O)c1oc(N2C[C@@H]3C[C@H]2C[S@@]3=O)nc1C(F)(F)F 1548520008 ZFRVRTHZFQSESS-ANHGTOLTSA-N 338.307 1.580 0 40 EDAB CN(C)c1n[nH]c(C2CCN(C(=O)CCCn3cccc3)CC2)n1 551965603 OMNSBRBJJGULMW-UHFFFAOYSA-N 330.436 1.859 0 40 EDAB CCCN1C(=O)N/C(=C/c2ccc(OCC(N)=O)c(OCC)c2)C1=O 409234683 XDSRBWWXFMMJLB-XYOKQWHBSA-N 347.371 1.252 0 40 EDAB NCC(=O)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 79393008 NCIGNJFZICRRNR-UHFFFAOYSA-N 345.443 1.985 0 40 EDAB COc1ccccc1-c1noc(C2CCN(S(C)(=O)=O)CC2)n1 74117935 QBSFXUUXRVUWIS-UHFFFAOYSA-N 337.401 1.884 0 40 EDAB Cn1nnnc1N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 531528897 RATOJKRJKJEZRB-INIZCTEOSA-N 336.399 1.762 0 40 EDAB Cc1nc(C(C)C)oc1C(=O)NC1CN([C@H]2CCCN(C)C2=O)C1 1031074024 VNTBESWMEYZHDQ-ZDUSSCGKSA-N 334.420 1.141 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(C)(C)C)c(C(=O)O)c1 217663455 MBFQHISHXGMAQU-JTQLQIEISA-N 344.433 1.908 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1Cl 32411129 YQABWLDXYKWUOR-UHFFFAOYSA-N 330.837 1.939 0 40 EDAB CCNS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)O)c1 217540507 TZDQKTKNSDAEEY-UHFFFAOYSA-N 344.433 1.910 0 40 EDAB O=C(O)c1cn([C@H]2CCN(c3nc(C(F)(F)F)cs3)C2)nn1 565769532 LKZASUKHFWMSOH-LURJTMIESA-N 333.295 1.903 0 40 EDAB Cc1ccc(CCCCC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 78908841 HJAFLLQLBNSELK-UHFFFAOYSA-N 339.461 1.056 0 40 EDAB N[C@@]1(CO)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218159388 BQBRZHSUXSBZFO-IKGGRYGDSA-N 347.392 1.045 0 40 EDAB O=C(c1ccc(O)nn1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 38907384 VJZHGFHHWXTAPP-UHFFFAOYSA-N 338.371 1.017 0 40 EDAB CN(CC(=O)N1CCOCC1)Cn1nc(C(C)(C)C)oc1=S 78919582 KDERKPMJQQRQMO-UHFFFAOYSA-N 328.438 1.251 0 40 EDAB O=C(NCCc1c[nH]c2ccccc12)C1CN(S(=O)(=O)C2CC2)C1 70839287 OMSOJPJPUSHLNR-UHFFFAOYSA-N 347.440 1.251 0 40 EDAB CN(C)S(=O)(=O)c1cccc(NCc2cn(C(C)(C)C)nn2)c1 189945882 IOBSMWIEVAJIDU-UHFFFAOYSA-N 337.449 1.896 0 40 EDAB Cc1nc(CN2CCN([C@H](C(N)=O)c3ccc(F)cc3)CC2)cs1 74085389 MJPCNBNBZSAQGP-INIZCTEOSA-N 348.447 1.935 0 40 EDAB CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(C(=O)O)cc2)C1 568510259 UERZFKRSWJQXEI-MRXNPFEDSA-N 332.400 1.568 0 40 EDAB CNC(=S)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225208575 SZROLAKTKJYUCJ-UHFFFAOYSA-N 329.447 1.396 0 40 EDAB CN(C)c1ccc(CNC(=O)N[C@@H]2CCCc3c2cnn3C)cn1 44954678 BDCJXAGNFLIPHI-CQSZACIVSA-N 328.420 1.758 0 40 EDAB O=C1CCSC[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)N1 75171447 LMTNNLLXNOTKEN-CQSZACIVSA-N 335.429 1.083 0 40 EDAB Cc1cc(=O)n(CC(=O)NCc2ccccc2)c(N2CCCCC2)n1 49411013 BLTLZWHHSCDJDA-UHFFFAOYSA-N 340.427 1.858 0 40 EDAB C=Cn1cc(CNCc2cccnc2N2CCC[C@@H](C(N)=O)C2)cn1 225582735 ICYZATPCELBBSC-MRXNPFEDSA-N 340.431 1.370 0 40 EDAB NC(=S)Nn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387774 YXZSRHJZVSIWFD-UHFFFAOYSA-N 336.380 1.498 0 40 EDAB Cc1cnc(C)c(N2CCN(c3nnnn3-c3ccccc3)CC2)n1 195563672 CBWMWBXMCRRXFD-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB Cc1c(Br)cccc1S(=O)(=O)NCCC(=O)N(C)C 80726543 ICJJHXZKVFDTJH-UHFFFAOYSA-N 349.250 1.514 0 40 EDAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H](C)S(C)(=O)=O)c1 330695588 DGTDAHISBIKPPD-FZMZJTMJSA-N 341.429 1.800 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCc3ncnc(N(C)C)c3CC2)cc1 96255433 UXTRPMMWKRQXAH-UHFFFAOYSA-N 346.456 1.641 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(Cc4cc(C)on4)CC3)nn2)n1 77905546 AOQXMQJZHWVUQY-UHFFFAOYSA-N 339.403 1.589 0 40 EDAB CCS(=O)(=O)N1CC[C@@]2(CCCN(Cc3nccs3)C2)C1 96215848 ZZKSGBMYTRVHSN-CQSZACIVSA-N 329.491 1.781 0 40 EDAB CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccccn2)O1 96056404 JJIODTXIXVUIOR-BRWVUGGUSA-N 333.432 1.308 0 40 EDAB Cn1nnc2c1[C@@H](COCc1ccccc1)CN([C@@H]1CCOC1)C2 96198609 KZDRHVIIGDEPPD-HZPDHXFCSA-N 328.416 1.720 0 40 EDAB CCc1cnc(N2CCC3(CC2)C[C@H](N2CCOCC2)CO3)nc1 96158665 RYHFCCTUVNSWLU-INIZCTEOSA-N 332.448 1.499 0 40 EDAB CCN(Cc1ccoc1)C(=O)c1cc(S(=O)(=O)NC)cs1 96451237 JLWHXAPTRGSWME-UHFFFAOYSA-N 328.415 1.912 0 40 EDAB Cc1noc([C@H]2CCN(C(=O)c3cnn(C)c3-n3cccc3)C2)n1 577636723 IIOOBYNQIUANLB-LBPRGKRZSA-N 326.360 1.532 0 40 EDAB O=C(CCN1C(=O)CCc2cc(F)ccc21)NC[C@H](O)c1ccco1 96436099 MMLPZPKUXHMOMQ-HNNXBMFYSA-N 346.358 1.938 0 40 EDAB CC(C)N1[C@@H]2CN(Cc3nccs3)C[C@@H]2C[C@@H]1C(=O)NCC1CC1 96185748 NRWXHNJLWYNPQB-ARFHVFGLSA-N 348.516 1.952 0 40 EDAB CN(C)C1CCN(S(=O)(=O)c2cc(Cl)cc3c2OCC3)CC1 96502141 SMODHJCRERGQGF-UHFFFAOYSA-N 344.864 1.990 0 40 EDAB c1cncc(COC[C@H]2CN(C[C@@H]3CCOC3)Cc3ccnn3C2)c1 96189158 UWMPUQWVSONOTM-ROUUACIJSA-N 342.443 1.963 0 40 EDAB O=C(COC1CCCC1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 96109062 QNHSHTJVIJINKM-BEFAXECRSA-N 346.427 1.895 0 40 EDAB Cc1oncc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 96183995 DTKJWUPUYOVQCM-CABCVRRESA-N 326.356 1.394 0 40 EDAB C[C@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1ccco1)CC2 96201574 VTMDPHHUFPWOGZ-CYBMUJFWSA-N 332.400 1.912 0 40 EDAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCC(C)C)C2=O)cc1 96221528 LUUNUWHKBXTUCI-HNNXBMFYSA-N 347.415 1.668 0 40 EDAB biogenic Cc1nc(CN2CC[C@@]23CCN(C(=O)c2nccn2C)C3)cs1 96076053 YAQLLJSLEIOZEI-MRXNPFEDSA-N 331.445 1.676 0 40 EDAB C[C@H](NCC(=O)N1CCNC(=O)C1)c1c(Cl)ccc(F)c1Cl 96490958 ZDJURFOSCGWCTN-QMMMGPOBSA-N 348.205 1.742 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)nn1-c1ccccc1 96452997 CGOUHJCYHMZZOI-GJZGRUSLSA-N 326.400 1.955 0 40 EDAB Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cnc3ccccc3n2)n1 579863055 UAVDGYFXZAXOII-BMIGLBTASA-N 339.355 1.923 0 40 EDAB CNS(=O)(=O)[C@H]1CCCN(c2ncc(Br)cc2C)C1 95412048 ZHGDXSKJRDHDIZ-NSHDSACASA-N 348.266 1.671 0 40 EDAB O=C(N[C@@H]1CN(Cc2nccs2)C[C@@H]2CCCO[C@@H]21)c1ccno1 96040652 MLQQMKMGSRILHE-ZOWXZIJZSA-N 348.428 1.541 0 40 EDAB C[C@](O)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1ccsc1 96444465 GFAMXRXZXRPNQS-GUYCJALGSA-N 348.424 1.970 0 40 EDAB O=C(NC[C@@H]1OC[C@H]2CN(c3ccccn3)CC[C@H]21)c1cccnc1 96064317 LCZJYWGVPSSIGC-ZACQAIPSSA-N 338.411 1.748 0 40 EDAB Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)cn1 96058291 ZLUSDXIQPMCJJO-IXDOHACOSA-N 348.447 1.201 0 40 EDAB O=C(c1ccco1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccncc1 96201024 KUAKXVNVISJOPS-SJORKVTESA-N 341.411 1.833 0 40 EDAB Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2cnn(C)c2)n1 96056634 MJLPEPMQFORQJH-QZTJIDSGSA-N 339.443 1.889 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@]1(COC)C(N)=S 242548281 LHLJZUMOTPNPIH-GUTXKFCHSA-N 327.471 1.814 0 40 EDAB COCCN1C[C@H](COC)C2(CCN(C(=O)c3ccco3)CC2)C1 247820771 CZYIDIBSLJYYPC-OAHLLOKOSA-N 336.432 1.727 0 40 EDAB O=C([C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccnc1)N1CCSCC1 247823742 IHAPIGQLLYGIES-XHSDSOJGSA-N 345.468 1.752 0 40 EDAB CN(C)C(=O)[C@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCN1C 257275516 NPSHZMWJSSPBCK-OAHLLOKOSA-N 332.379 1.151 0 40 EDAB Cc1ccc(C(=O)N2CCCC[C@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257299885 RSBKUUIUFSFXIO-ZDUSSCGKSA-N 348.428 1.884 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)[C@@H](CO)c2ccc(F)cc2)C1 252488054 IIDVITFNSKXVGW-IRXDYDNUSA-N 338.423 1.375 0 40 EDAB Cc1nc(-c2ccnc(NS(=O)(=O)c3cnn(C(C)C)c3)c2)n[nH]1 585129067 XCPSFIGULNUCDT-UHFFFAOYSA-N 347.404 1.753 0 40 EDAB CCOC[C@H](NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)C(C)C 585132263 RNPDXJKDUOUWKS-DCAQKATOSA-N 345.383 1.387 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(-c2cccc(O)c2)on1 585121541 RVKJOROGBJUWJI-AWEZNQCLSA-N 329.356 1.740 0 40 EDAB O=C(O)c1ccc(OCCNC(=O)[C@H]2COc3ccccc3O2)cc1 540785770 WBKYSKZKRUIFGV-MRXNPFEDSA-N 343.335 1.720 0 40 EDAB O=C(O)c1cccc(N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 263448605 ZOPKTLMUHLHWBV-LBPRGKRZSA-N 347.396 1.655 0 40 EDAB Cc1cccc(F)c1NC(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 274129988 OXFGYHWLNMZMBU-QLJPJBMISA-N 334.351 1.634 0 40 EDAB O=S(=O)(c1cccc2c1OCC2)N1CCOc2ncccc2C1 606444910 HORQMVUILYGZGZ-UHFFFAOYSA-N 332.381 1.600 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@H]([C@@H](F)C(=O)O)C1 1614994490 WJIPTHRPSAFXKC-GXFFZTMASA-N 331.365 1.437 0 40 EDAB COCC(=O)N[C@H]1COCCC12CCN(C(=O)C1(F)CCC1)CC2 585103235 AGIFMOFNVBWUOI-ZDUSSCGKSA-N 342.411 1.039 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)CCCc2cccs2)CC1 45319703 VVVSKTBYSRGPNB-UHFFFAOYSA-N 330.475 1.565 0 40 EDAB CCOC(=O)NCCC(=O)Nc1cccc(CN2CCN(C)CC2)c1 57055298 XDPUNVQCNGMHKD-UHFFFAOYSA-N 348.447 1.509 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)C(F)(F)c1ccccc1 53017789 QBYPZEOZUSPEDI-UHFFFAOYSA-N 334.388 1.566 0 40 EDAB Cc1c(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cnn1C 68063320 FFRQTCLIUDHGAW-UHFFFAOYSA-N 333.436 1.529 0 40 EDAB COc1cc(CN(C)[C@@H]2CS(=O)(=O)C[C@@H]2O)ccc1SC 75582075 GHAHXOWAMMWHFF-NEPJUHHUSA-N 331.459 1.007 0 40 EDAB C[S@](=O)c1ccc(CNS(=O)(=O)c2ccc3cn[nH]c3c2)cc1 95427597 AJHBNXVWNTXHDY-JOCHJYFZSA-N 349.437 1.779 0 40 EDAB C[C@@H](Sc1nnc(Cn2cncn2)o1)C(=O)NC1CCCCC1 98079275 BAPBVKTWAVYVQB-SNVBAGLBSA-N 336.421 1.639 0 40 EDAB COc1cccc(O)c1S(=O)(=O)N(C)C[C@H](O)c1cccnc1 1615057582 UCXJYMTULYVGPQ-ZDUSSCGKSA-N 338.385 1.150 0 40 EDAB O=C(COC(=O)c1cccs1)NC[C@@H]1COc2ccccc2O1 5215749 YBIWPZJZMLPEAP-LLVKDONJSA-N 333.365 1.861 0 40 EDAB C[C@@H]1CC(=O)n2c(s/c(=C/c3ccccc3C(F)(F)F)c2=O)=N1 16608413 NPFSYBTXOYOTBK-XAPLUZPNSA-N 340.326 1.809 0 40 EDAB CN1C[C@@H](C(=O)NC(C)(C)C)[C@@]2(CCc3ccccc3C(=O)N2)C1 19082889 GEOSDODXIVTPDD-HNAYVOBHSA-N 329.444 1.578 0 40 EDAB Cc1noc(CCC(=O)N2CCC[C@]3(CC=CCN(C)C3=O)C2)n1 19742643 WWKZOAKHQSSMCO-QGZVFWFLSA-N 332.404 1.338 0 40 EDAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(cnc21)C(=O)CCC3 19962364 YVCOIQOIRLUFRF-UHFFFAOYSA-N 335.363 1.663 0 40 EDAB COc1ccc([C@H](C)CCNC(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 152104240 UTMJSTUEQTUMME-HIFRSBDPSA-N 346.431 1.608 0 40 EDAB Cc1sc2nc3sc(CC(=O)NCCO)cn3c(=O)c2c1C 4321050 NOXDEARTXCHNOQ-UHFFFAOYSA-N 337.426 1.239 0 40 EDAB Cn1cnc(CN2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)c1 643914332 PAQOKJBDEOEMIP-IAGOWNOFSA-N 326.400 1.032 0 40 EDAB CSCC[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](c2ccn(C)n2)C1 390831275 QVWPEHZZLIQKSU-UKRRQHHQSA-N 338.477 1.384 0 40 EDAB CC(C)N1CC[C@@H](N2CC(Cn3cc(Br)cn3)C2)C1=O 1889068366 XOAIHTHYGDKCEP-CYBMUJFWSA-N 341.253 1.587 0 40 EDAB O=C([C@@H]1CN(c2nccc(C(F)(F)F)n2)CCO1)N1CCCC1 1889095479 KSLKBOSFHMDIJX-JTQLQIEISA-N 330.310 1.323 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1CCc2ccccc21 30705111 TYBYXKNLKGIEAH-IBGZPJMESA-N 349.434 1.749 0 40 EDAB Cc1cc(C(=O)N=c2sc3cc4c(cc3n2C)OCCO4)nn1C 244933128 CCMMLOWCQSLUGR-UHFFFAOYSA-N 344.396 1.794 0 40 EDAB Cn1cncc1CN1CCC2(CC1)CC(=O)NCc1ccccc1N2 2037978261 LWQGMIQSNOCJFI-UHFFFAOYSA-N 339.443 1.887 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)c3ccnc(C(F)(F)F)c3)CC[C@H]2C1 1565547915 SYERODXAIDWPEC-QWHCGFSZSA-N 343.349 1.893 0 40 EDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1nccs1)c1ccc(F)cc1 10332766 XBXYJGUZLAOLJZ-LBPRGKRZSA-N 336.392 1.640 0 40 EDAB Cn1cc(-c2ncccc2CNC(=O)OCCN2CCOCC2)cn1 575618414 MURKPQVQIYPUPJ-UHFFFAOYSA-N 345.403 1.041 0 40 EDAB CSc1ccc(CCC(=O)N2CC(N3C(=O)[C@H]4C[C@@H]4C3=O)C2)cc1 585388345 VUYHXJXDQNDZAU-GJZGRUSLSA-N 344.436 1.557 0 40 EDAB CCCS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)ccn2)CC1 40094738 RRACLBVZNQXMTP-UHFFFAOYSA-N 345.852 1.669 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)c2nccnc2N)Oc2ccccc21 40497887 AHHDWSMIEPJUDP-GFCCVEGCSA-N 327.388 1.418 0 40 EDAB COc1ccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)cc1 40496955 HXLNHLQSZWKONE-CQSZACIVSA-N 342.399 1.451 0 40 EDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCc1ccccc1 109443 JDHKXFMQZDOTQD-UHFFFAOYSA-N 337.383 1.238 0 40 EDAB C[C@@H](O)CNC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 40540048 AZMQMRSSLVAJOM-SNVBAGLBSA-N 346.353 1.749 0 40 EDAB CC(=O)N1CCCN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 51154556 PHOPGWHOBDNJAP-KRWDZBQOSA-N 344.459 1.568 0 40 EDAB COc1ccccc1NC(=O)[C@H]1CC(=O)N=C(N2CCCCC2)N1 542412 QHDIAWBQJBQLQA-CYBMUJFWSA-N 330.388 1.364 0 40 EDAB CCn1nnc(NC(=S)NC(=O)c2cccc3ccccc23)n1 557594 VPHSAALAFFXRQY-UHFFFAOYSA-N 326.385 1.973 0 40 EDAB COC(=O)c1ccc2c(=O)n(CCc3ccccn3)c(=O)[nH]c2c1 29303267 HLSJAPAKSXSZEF-UHFFFAOYSA-N 325.324 1.114 0 40 EDAB C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc(C(N)=O)cc1 29456708 SKYUIMPUJVIBOJ-VIFPVBQESA-N 339.355 1.394 0 40 EDAB Cc1ccccc1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 29507521 BYVYTVSWCJBUGA-UHFFFAOYSA-N 336.351 1.980 0 40 EDAB CCOC(=O)c1ccc(N2CCC(C(=O)NCCOC)CC2)nc1 29524228 YNCZBPIPTCJYQM-UHFFFAOYSA-N 335.404 1.237 0 40 EDAB COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc2c(c1)OCO2 223185 WGMUZRBMWCINOR-UHFFFAOYSA-N 331.324 1.558 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3n3nnnc23)cc1 3324566 MXDCNTQVJDFPLL-UHFFFAOYSA-N 340.368 1.782 0 40 EDAB CCc1nnsc1C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 46361257 HUJPFDGQBCZGMT-UHFFFAOYSA-N 345.384 1.405 0 40 EDAB CNCCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 6882433 FRPKDOUOVRIDRX-UHFFFAOYSA-N 337.464 1.688 0 40 EDAB CCOCCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC 7458523 PAHLOULNOCYIQT-UHFFFAOYSA-N 349.362 1.537 0 40 EDAB CC(C)c1nnc(NC(=O)CCn2cnc3c(cnn3C)c2=O)s1 21477122 VYRNJZWGUAFQQW-UHFFFAOYSA-N 347.404 1.134 0 40 EDAB Cc1cc(NC(=O)C2CCN(Cc3ccn(C)c(=O)c3)CC2)no1 52403378 GLKYRFHQZFUAHB-UHFFFAOYSA-N 330.388 1.532 0 40 EDAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1nccnc1N 32912112 FZDPEGKTSOAFDQ-UHFFFAOYSA-N 336.399 1.916 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)NCCN1CCc2sccc2C1 53269542 JQDUYOUDTJNGEJ-UHFFFAOYSA-N 344.502 1.293 0 40 EDAB Cc1ccc(CNC(=O)CN2CCC(N3CCNC3=O)CC2)s1 53285876 DCSDNQXQRGTTCB-UHFFFAOYSA-N 336.461 1.162 0 40 EDAB CC(C)n1nccc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 22288514 OPCCPQUPZRVXKI-YVEFUNNKSA-N 347.419 1.903 0 40 EDAB Cc1cc(N2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)nc(N)n1 42103155 XDRGDJOUZUZFKP-STQMWFEESA-N 333.436 1.219 0 40 EDAB CC(C)n1ncc2c(C(=O)N3CC[C@@H](C(N)=O)C3)cc(C3CC3)nc21 53892338 CVRPYZLUPZAGGO-GFCCVEGCSA-N 341.415 1.837 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCSCC3)c(C)c12 53818707 JMWOQBRFWMFSIE-UHFFFAOYSA-N 334.445 1.386 0 40 EDAB Cc1nc(NCCCNS(C)(=O)=O)c2c3c(sc2n1)CCC3 23057495 NINPPGBTVLSBPJ-UHFFFAOYSA-N 340.474 1.840 0 40 EDAB C[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 104697301 PJGNTUACQIYPDK-OSFYFWSMSA-N 341.411 1.631 0 40 EDAB COc1ccc(CNC(=O)c2cc(F)ccc2-n2cnnn2)cc1 12409656 OVVKJCXIOHKVFU-UHFFFAOYSA-N 327.319 1.740 0 40 EDAB COc1ccc(-c2noc(CN3CCN(C(=O)C4CC4)CC3)n2)cc1 24060525 QQMKOTRJMZJKKZ-UHFFFAOYSA-N 342.399 1.799 0 40 EDAB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 105706832 DUGADXJIMZGXHY-NEPJUHHUSA-N 327.425 1.274 0 40 EDAB Cc1csc(N2CCN(CC(=O)Nc3ccncc3)C[C@H]2C)n1 106775806 RSTVSZJWENQWBG-CYBMUJFWSA-N 331.445 1.996 0 40 EDAB CS(=O)(=O)N1CCC2(CCCN(Cc3cccnc3)C2=O)CC1 108526845 ICLWZSJTXADNTI-UHFFFAOYSA-N 337.445 1.246 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)NCC1(c2ccccc2)CCCCC1 25251287 ZGXALLUQBBHOAQ-UHFFFAOYSA-N 341.411 1.555 0 40 EDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC1CCN(S(=O)(=O)C2CC2)CC1 107513202 JIWXTNZYFIKRFM-MELADBBJSA-N 340.489 1.886 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)c1ccc2c(c1)CCO2 26235544 UXNCVSAPKBSOOJ-MRXNPFEDSA-N 332.381 1.232 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1 27088759 LPPQCWHWQOZTSR-UHFFFAOYSA-N 327.406 1.096 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)NCc2ccc(F)cc2)C1 58014521 NAPVNLWECZRFNB-ZDUSSCGKSA-N 329.397 1.049 0 40 EDAB CN1CC(=O)N(CCCC(=O)Nc2cnc3ccccc3c2)C1=O 44896409 HUHFZXSLZOIGFQ-UHFFFAOYSA-N 326.356 1.848 0 40 EDAB CCN(C[C@H]1CCCO1)C(=O)c1ccc(S(=O)(=O)NC)cc1 58245313 MKCCQWPKOJXOLS-CYBMUJFWSA-N 326.418 1.236 0 40 EDAB Cn1ccnc1CN(C(=O)C[C@@H](NC(N)=O)c1cccs1)C1CC1 58214046 CWHUHBYFJRSLGO-GFCCVEGCSA-N 347.444 1.772 0 40 EDAB O=C(NCCc1cccnc1)N[C@@H]1CCCN(c2ncccn2)C1 44967868 CYDXJCKTTIBVQX-OAHLLOKOSA-N 326.404 1.382 0 40 EDAB O=C(Nc1nc[nH]n1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 44977202 UGAHSESTJAMALR-GFCCVEGCSA-N 331.351 1.364 0 40 EDAB COc1ccc(COC[C@@H](O)CNC(=O)c2ccc(C)nc2)cc1 58370151 YXOIHBADIPASCX-INIZCTEOSA-N 330.384 1.706 0 40 EDAB CC(C)[C@H](C(=O)Nc1cnn(Cc2ccncc2)c1)N1CCCC1=O 58391983 FZXMXOWSXIPDRC-QGZVFWFLSA-N 341.415 1.912 0 40 EDAB O=C(Cc1nc(-c2ccc3c(c2)OCCO3)cs1)N1CCOCC1 8297741 TYCSJCOPCRYSOU-UHFFFAOYSA-N 346.408 1.983 0 40 EDAB Cc1cc(NC(=O)CSc2nnnn2C)n(-c2ccccc2)n1 3339421 LUHNZPPVDSURQQ-UHFFFAOYSA-N 329.389 1.435 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccccc1S(=O)(=O)CC 48363283 AFFRNYJXQYINAM-ZDUSSCGKSA-N 325.430 1.979 0 40 EDAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCc1ccccc1 12890731 VPNXGDHJVDVSCA-HXUWFJFHSA-N 349.390 1.912 0 40 EDAB Cc1cnn(CCC(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)c1 69393134 MOUUYECWRPETKL-QGZVFWFLSA-N 340.427 1.588 0 40 EDAB CCC(=O)c1ccc(OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 3422761 BTIDCFJKIKLIKV-MRXNPFEDSA-N 339.413 1.352 0 40 EDAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)O)C3)ccc2N1 13197053 UEPUSUKVTWEWQN-NSHDSACASA-N 338.385 1.057 0 40 EDAB Cc1cnn(C[C@H]2CN(CC(=O)N(C)Cc3ccsc3)CCO2)c1 69451477 FGBHNNZUMLBJEG-MRXNPFEDSA-N 348.472 1.612 0 40 EDAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1 4065471 VYNLXJBLGPPAOY-HNNXBMFYSA-N 334.372 1.903 0 40 EDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc2c(c1)CCO2 69450890 NQNJPMCMFVRRNG-UHFFFAOYSA-N 326.418 1.157 0 40 EDAB CN(Cc1ccco1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 17790993 IVZPGOPIJBBHGY-UHFFFAOYSA-N 327.340 1.604 0 40 EDAB CCn1cc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C)c(C)n1 13720286 AZPQLCXQKINPBS-GDBMZVCRSA-N 335.429 1.490 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)N[C@H](C)[C@H]2CCCO2)ccc1F 69717005 LUMHZDFPPKJBLH-YMTOWFKASA-N 334.355 1.799 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNCc1cccc2c1OCO2 65476354 IFIJJDAZCRMXDC-UHFFFAOYSA-N 344.415 1.584 0 40 EDAB CN1CCN(C[C@H](NC(=O)c2cccnc2O)c2ccccc2)CC1 65493523 HVZPYPXGDTVSDM-KRWDZBQOSA-N 340.427 1.506 0 40 EDAB CC(C)COCCC(=O)Nc1ccc(N2CCC[C@H](C(N)=O)C2)nc1 69594917 UTZOAJVXXQGFDN-AWEZNQCLSA-N 348.447 1.785 0 40 EDAB C[C@H]1CCc2c(C(=O)N3CCC(S(N)(=O)=O)CC3)csc2C1 65539261 JYPNCCNXJVWMJI-JTQLQIEISA-N 342.486 1.766 0 40 EDAB CCCN(CCC)C(=O)CCC(=O)N1CCC[C@H](C(=O)NCC)C1 65523647 AUZULQLAQHFCIM-HNNXBMFYSA-N 339.480 1.790 0 40 EDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCC[C@H](CN2CCOCC2)C1 69743891 YMFLJZZHFYYBAH-CQSZACIVSA-N 344.415 1.854 0 40 EDAB Nc1nc(N)nc(CSCc2cc(Cl)c3c(c2)OCO3)n1 14123407 JGLCVZWKOGNJTB-UHFFFAOYSA-N 325.781 1.852 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1 14182194 GIRLOCUKOWHSIJ-AWEZNQCLSA-N 334.422 1.990 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2cnn(C)c2)c1 14249824 WODSCJRMURGGMS-UHFFFAOYSA-N 325.390 1.258 0 40 EDAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O 6678957 WLLDFRBZSVPEPY-UHFFFAOYSA-N 329.381 1.883 0 40 EDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649365 VWXXGUSALXCMEQ-RYUDHWBXSA-N 343.383 1.869 0 40 EDAB O=C(CS(=O)(=O)Cc1cccc2ccccc12)NC[C@@H]1CCOC1 66499092 HDKGNGJXIBRULM-AWEZNQCLSA-N 347.436 1.907 0 40 EDAB Cc1cc(NC(=O)CN(C)[C@H]2CCCN(c3cccnn3)C2)n(C)n1 69918588 IRAKILFBQNTNAJ-AWEZNQCLSA-N 343.435 1.058 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)NC(C1CC1)C1CC1 69927156 TYMVPDSYIJPUQS-IRXDYDNUSA-N 333.476 1.767 0 40 EDAB CCOc1cc(CNCCCSc2nnnn2C)ccc1OC 4993819 HMHQDDYKHOHUDW-UHFFFAOYSA-N 337.449 1.889 0 40 EDAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)O 4996502 TZRUSBRYPGPVPQ-NOZJJQNGSA-N 328.390 1.423 0 40 EDAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CN1CCN(c2ccccn2)CC1 7074737 DJXYMUWNFYHJHJ-HUUCEWRRSA-N 328.416 1.336 0 40 EDAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)nc(=S)[nH]c1O 8856495 IYVXZRPLJKPHGK-SECBINFHSA-N 336.325 1.827 0 40 EDAB biogenic CC(C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2ccc(F)cc2)CC1 71328961 LXRILKGKKRSXSW-CYBMUJFWSA-N 336.411 1.570 0 40 EDAB Cc1ccc(O)c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 9257007 CWSNOLTUYTYURW-UHFFFAOYSA-N 343.335 1.903 0 40 EDAB CSc1ccccc1NC(=O)[C@@H](C)Sc1nc(N)nc(N)n1 9366687 YMMJQOUWNCCWIQ-SSDOTTSWSA-N 336.446 1.877 0 40 EDAB Cc1csc(-c2ccc(C(=O)N3CCN(CCO)CC3)cc2)n1 75604844 DZSLQYIJGVDKHB-UHFFFAOYSA-N 331.441 1.869 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@H]1N1CCOCC1 76052084 FARYAXYOIADEOH-VMGRFDJRSA-N 334.391 1.308 0 40 EDAB O=C1CSCN1CC(=O)N1CCO[C@H](c2ccccc2Cl)C1 71799990 NBEIAOKHONAHQX-ZDUSSCGKSA-N 340.832 1.773 0 40 EDAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCCC1 9514129 LJGHZKWQQWPXMC-HNNXBMFYSA-N 336.457 1.926 0 40 EDAB COC(=O)CN(Cc1ccccc1Cl)C(=O)CSCC(N)=O 71853425 BTKCALFCTWCHCJ-UHFFFAOYSA-N 344.820 1.060 0 40 EDAB O=C(Cn1ccc2ccccc21)N1CCC[C@@H](N2CCNC2=O)C1 71841645 AXOJOKCGMZIKAH-OAHLLOKOSA-N 326.400 1.658 0 40 EDAB CN(C(=O)c1ccc(=O)[nH]c1)[C@@H]1CCN(c2ccccc2Cl)C1=O 71896597 VUPSBGLVRHRPIE-CQSZACIVSA-N 345.786 1.906 0 40 EDAB O=C(C[C@@H]1C(=O)NC(=O)N1Cc1ccccc1)NCc1ccccc1 19941800 MBEUQEYDXOJNRR-MRXNPFEDSA-N 337.379 1.814 0 40 EDAB NC(=O)[C@H]1CCCN1C(=O)NC(=O)CSc1ccccc1Cl 71916358 VAXGRCXRLCZCCB-SNVBAGLBSA-N 341.820 1.618 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC(Nc2cccc(C)n2)CC1 71921628 DZNINMSFFPAGNM-UHFFFAOYSA-N 326.466 1.853 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1cnccn1)CCC2 78190477 FRJFDGMRTVFIEQ-UHFFFAOYSA-N 346.412 1.320 0 40 EDAB CCN1CCN(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 72280443 HNWLRUXGCRTFOM-IBGZPJMESA-N 344.503 1.405 0 40 EDAB COC(=O)N1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 78748135 UQCRITOVAAVQIN-ZDUSSCGKSA-N 343.221 1.867 0 40 EDAB O=C(c1coc(Br)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 78789004 XISMQKXUDHUMOW-VXGBXAGGSA-N 343.221 1.713 0 40 EDAB CCc1nc(CNC(=O)N2CCN(c3ccnc(C)n3)CC2)cs1 97136684 YQDFENXCWIWTPL-UHFFFAOYSA-N 346.460 1.836 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 72301149 ZUMJOGDPUGNYCL-OLZOCXBDSA-N 327.450 1.637 0 40 EDAB COCCOCCCNC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 97357466 VEYDGLSFBVMWAI-UHFFFAOYSA-N 335.408 1.210 0 40 EDAB Cc1cc(C)c(CNC(=O)N2CCc3nn(C)c(=O)cc3C2)c(C)c1 78952122 RCORYRCTIRMWOY-UHFFFAOYSA-N 340.427 1.973 0 40 EDAB CC(C)COC1CCN(CC(=O)NCCCN2CCCC2=O)CC1 97504763 ONNMERARFRQNMZ-UHFFFAOYSA-N 339.480 1.252 0 40 EDAB Cc1sc2ccccc2c1S(=O)(=O)N[C@H](C(N)=O)C(C)C 79060444 YWRNFYYUQXGEAU-LBPRGKRZSA-N 326.443 1.998 0 40 EDAB CC(C)OC[C@@H](O)CN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 79105592 DYTGVPSWDBVCCW-JSGCOSHPSA-N 330.450 1.113 0 40 EDAB Cn1ncc2cnn(C[C@H](O)c3ccccc3Br)c2c1=O 95974795 LRNPIKKYEKLZOH-LBPRGKRZSA-N 349.188 1.626 0 40 EDAB Cc1c(C(=O)N[C@@H](C)c2ccccn2)cnn1[C@@H]1CCS(=O)(=O)C1 95950122 DIHNXGKIVMNPAT-WCQYABFASA-N 348.428 1.437 0 40 EDAB CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 95993563 WMEBPZRTZDNLTE-QLFBSQMISA-N 339.480 1.824 0 40 EDAB CCc1cnc(CCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)s1 89289646 JLVWQRYHXXRKQB-CHWSQXEVSA-N 336.461 1.701 0 40 EDAB CN(C[C@@H]1CN(CCOc2ccccc2)CCO1)c1cccnn1 89340293 CZTLZMGOVQUHBM-QGZVFWFLSA-N 328.416 1.693 0 40 EDAB CS(=O)(=O)c1ccccc1NC(=O)N1CCN2CCCC[C@@H]2C1 89492967 BTCDNYIWUJWLDW-CYBMUJFWSA-N 337.445 1.792 0 40 EDAB O=C(CCOC[C@@H]1CCCO1)Nc1cc(C(F)(F)F)c[nH]c1=O 75117980 OAPHMEPQNZQLAW-JTQLQIEISA-N 334.294 1.918 0 40 EDAB Cc1nc2n(n1)C[C@H](NC(=O)Cc1ccc3c(c1)OCCO3)CC2 171331044 BGFUZMGIFGPIBO-CYBMUJFWSA-N 328.372 1.031 0 40 EDAB C[C@@H](C(=O)O)N(Cc1cccnc1)S(=O)(=O)c1ccsc1 551998786 WUMSHAVYPXNFBW-JTQLQIEISA-N 326.399 1.807 0 40 EDAB O=C(C1CC(F)C1)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306143489 YDLXPFPVGUKZHB-HWOWSKLDSA-N 334.391 1.964 0 40 EDAB COc1ccc(NC(=S)NCCCN2CCOCC2)cc1OC 38240879 TXIAHOLYJRAEDH-UHFFFAOYSA-N 339.461 1.713 0 40 EDAB O=C1C[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCCCC2)cc1 32831623 GABOCHVIUCDURK-XJKSGUPXSA-N 334.441 1.827 0 40 EDAB Cc1cc(NC[C@@H]2CCN(C)C(=O)C2)n2nc(C(F)(F)F)nc2n1 521395866 LAHZJXQBPCGAMI-SECBINFHSA-N 342.325 1.732 0 40 EDAB NC(=O)[C@]1(CCCc2ccccn2)CCCN(c2ncccn2)C1 72367217 DNUUMYTZDMYETF-GOSISDBHSA-N 325.416 1.966 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(c3nc(C)cc(C)n3)CCN2C)c1 72367681 XADIBIMNLHIJMT-KRWDZBQOSA-N 339.443 1.946 0 40 EDAB CN(C(=O)CCC(=O)c1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 37122127 MUQGHGLEGJGRHN-MRXNPFEDSA-N 349.452 1.784 0 40 EDAB CNC(=O)c1cn[nH]c1[C@H]1CCCN1S(=O)(=O)c1ccccc1 72388692 XUWAKSNMFXMEQL-CYBMUJFWSA-N 334.401 1.295 0 40 EDAB COc1ccc([C@H]2C[C@@H](C)N(Cc3nc(N)nc(N(C)C)n3)C2)cc1 76393344 FEVNFNJYQIPCRO-OCCSQVGLSA-N 342.447 1.906 0 40 EDAB CCn1nc(C)cc1C(=O)OCCCn1nc2ccccn2c1=O 77878140 FCMZBZYILFZDRJ-UHFFFAOYSA-N 329.360 1.268 0 40 EDAB CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(C(C)C)c2)C1 44301830 QJEYEVZDNDBKBX-OAHLLOKOSA-N 331.416 1.415 0 40 EDAB CN(C)CC(=O)N1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 72378036 LAOCZTKPCCYWBN-AWEZNQCLSA-N 341.419 1.625 0 40 EDAB O=C(C[C@@H](CN1CCOCC1)C(=O)O)Nc1ccc(Cl)nc1 72403823 BNAJQJKZGGTUDY-JTQLQIEISA-N 327.768 1.097 0 40 EDAB CCN1C[C@@H](C(=O)N2CCN([C@H](C)c3cccnc3)CC2)CC1=O 79353276 IOWQVSZAPOOMPL-ZBFHGGJFSA-N 330.432 1.155 0 40 EDAB CCn1c(SCCC(=O)NC(=O)NC)nnc1-c1ccncc1 45101738 FHMFDXKRCZLAEL-UHFFFAOYSA-N 334.405 1.298 0 40 EDAB Cn1ncc2c(N)nc(N3CC[C@H](Oc4cccc(F)c4)C3)nc21 225514337 UEYQPKMVOULSHU-LBPRGKRZSA-N 328.351 1.742 0 40 EDAB Cc1nc(S(=O)(=O)N(C)C[C@H]2Cc3ccccc3CO2)cn1C 225791501 BNCXWPFVODSTOG-OAHLLOKOSA-N 335.429 1.491 0 40 EDAB CC(=O)Nc1ccc(NC(=O)c2cc(N3CCOCC3)on2)cc1 224077831 YMWSWFJSQRCQEQ-UHFFFAOYSA-N 330.344 1.722 0 40 EDAB O=C(NCCN1CCOCC1)c1snnc1-c1ccc(F)cc1 225781704 YVIGOLJSWABWTP-UHFFFAOYSA-N 336.392 1.406 0 40 EDAB Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)nn1-c1ccc(F)cc1 570606651 YKOYIJXXFGXIGI-HOTGVXAUSA-N 332.379 1.067 0 40 EDAB CCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 225874296 MEOPPJLTJPGCIS-UHFFFAOYSA-N 346.821 1.742 0 40 EDAB COC[C@@H]1C(=O)NCC12CCN(C(=O)c1ccc(C)c(C)c1)CC2 96206624 VPKJDETVQDJRPH-MRXNPFEDSA-N 330.428 1.918 0 40 EDAB C[C@H]1CCCN(C(=O)CN[C@](C)(C(N)=O)c2cccc(Cl)c2)C1 95432245 JLSBFWNLUHXLAI-SJCJKPOMSA-N 337.851 1.889 0 40 EDAB O=C(c1ccco1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 96049153 CWODEXYXIKTOKG-KRWDZBQOSA-N 328.372 1.581 0 40 EDAB Cc1csc(NC(=O)c2ccccc2OCc2nnnn2C)n1 96101384 IOEYUWOLAZZVGV-UHFFFAOYSA-N 330.373 1.806 0 40 EDAB CCn1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cn1 96425821 CNDJYPRIRJMODY-SNVBAGLBSA-N 339.392 1.937 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2cccc(C3(C(=O)O)CC3)c2)C[C@@H](C)O1 96515624 OBGOOBXVPNNYNW-TXEJJXNPSA-N 339.413 1.601 0 40 EDAB O=C(NCCc1ccccn1)[C@@H]1C[C@H]2OCC[C@H]2N(CC2CC2)C1 96038964 OGAYHBUXXIWHCF-KBAYOESNSA-N 329.444 1.630 0 40 EDAB CNC(=O)c1cccc(C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)c1 96445452 XZCPZESHVZWFRO-FYSMJZIKSA-N 344.436 1.896 0 40 EDAB O=C(c1ccsc1)N1CCOC[C@@]2(CC[C@H](Cn3cncn3)O2)C1 96063449 RNACGDCGEBBXHG-GDBMZVCRSA-N 348.428 1.430 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1nn(-c3ccccc3)nc1C)C2 97198352 VWAUAICGWQZFBS-CQSZACIVSA-N 336.399 1.825 0 40 EDAB CCS(=O)(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccccn1 96041832 HORGEJSKBKPDQC-RRFJBIMHSA-N 326.418 1.180 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)Cc1ccc3c(c1)OCCO3)C2 97198891 LADZIEMIXDNFRS-AWEZNQCLSA-N 327.384 1.636 0 40 EDAB Cc1nn(C)c(C)c1OCC(=O)Nc1ccc2[nH]c(=O)sc2c1 97227704 RSVCNZKXXLKWHT-UHFFFAOYSA-N 332.385 1.957 0 40 EDAB Cc1nc(CN2CCc3ncnc(N4CCOCC4)c3CC2)cs1 96084073 YPWKJRBBIXXPQY-UHFFFAOYSA-N 345.472 1.679 0 40 EDAB Cc1nccc(N2CCN(C(=O)N[C@@H]3[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)CC2)n1 248735982 OXQIGYZECMZCMU-XSIBGMEISA-N 327.432 1.661 0 40 EDAB Cc1cc([C@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)nc(C)n1 257316349 VFEKJUDHMBBIPD-QGZVFWFLSA-N 343.431 1.668 0 40 EDAB COc1cc(CNC(=O)NCc2ncnn2C(C)(C)C)ccc1O 252494007 NIHRPRQUMDIPQH-UHFFFAOYSA-N 333.392 1.747 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CCN1 257246608 IUVZJUNZZMLCDV-KRWDZBQOSA-N 339.395 1.639 0 40 EDAB NCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1F 257213933 CJTKAKBRSUGCGD-CQSZACIVSA-N 329.379 1.877 0 40 EDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@H]1O 257213236 CGSIYCYSHXCIEI-UXIGCNINSA-N 331.420 1.707 0 40 EDAB Cc1nc(C[C@H]2CCCN(C(=O)C(C)C)C2)cc(C(=O)N(C)C)n1 257273346 NGEFBIFQXAKTTM-CQSZACIVSA-N 332.448 1.924 0 40 EDAB CNC(=O)C1CCN(C(=O)c2cc([C@H]3CCCN3C)ccn2)CC1 257234817 GVFLRHJWZFUPIN-MRXNPFEDSA-N 330.432 1.447 0 40 EDAB CCn1cc(S(=O)(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)cn1 585086228 ODIADIJUQZTCJY-UWVGGRQHSA-N 329.344 1.129 0 40 EDAB O=C(/C=C/CN1CCOCC1)NCc1cccc(C(=O)NC2CC2)c1 585089449 NLIDGFBPQLLVKN-GORDUTHDSA-N 343.427 1.083 0 40 EDAB O=C(c1cnn2cccnc12)N1CCC(c2ccnc3ccnn23)CC1 257306309 STTYSISSUPCRPQ-UHFFFAOYSA-N 347.382 1.792 0 40 EDAB O=C(Cc1cccs1)NC[C@@]1(O)CCCN(c2ncccn2)C1 257218661 DEACEZZQHTZIPE-INIZCTEOSA-N 332.429 1.228 0 40 EDAB CCc1noc(C)c1C(=O)N1CCO[C@@H](CCc2ccncn2)C1 257295861 RAEKVPPXXAXKOK-AWEZNQCLSA-N 330.388 1.809 0 40 EDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)Cc3cccnc3)C[C@@H]21 257272124 NBEFNGUOMDHPRV-IXDOHACOSA-N 337.427 1.788 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)CCN(C)Cc3cccnc3)CCO2)n1 257316902 VHMLSOYRTFGAMU-MRXNPFEDSA-N 343.431 1.535 0 40 EDAB Cn1cc(C(=O)N2CCC3(CC2)CO[C@H](Cc2cnccn2)C3)cn1 257255917 KJJXZODEBMRNLK-MRXNPFEDSA-N 341.415 1.464 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)s1 257226393 FKMOUWKBUVIGPN-INIZCTEOSA-N 347.444 1.311 0 40 EDAB CCN1CCN(CC(=O)N2CC(COC)(c3ccccc3)C2)CC1 1615049104 ALLOGPALEDUYES-UHFFFAOYSA-N 331.460 1.051 0 40 EDAB COc1cccc(CC(=O)N2CC[C@H](Oc3ncc(F)cn3)C2)c1 390827739 JQTRXCRUBPLRSI-HNNXBMFYSA-N 331.347 1.847 0 40 EDAB CNc1cc(C(=O)N2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)ccn1 585276211 LDHZWLMRNDQASJ-NVXWUHKLSA-N 343.402 2.328 0 40 EDAB COCCN1C[C@@]2(COCCN([C@@H](C)c3ccccc3)C2)CC1=O 585104426 MZFKRZPBZATHBV-QFBILLFUSA-N 332.444 1.945 0 40 EDAB COc1ccc(CCC(=O)N(C)[C@@H]2COC[C@@H](OC)[C@H]2OC)cc1 585288402 ZRTWDIUBOLZTJY-NUJGCVRESA-N 337.416 1.515 0 40 EDAB COc1cc(C(=O)N2CC[C@](O)(COc3cccc(F)c3)C2)ccn1 585275880 HVVAJPIGIWBBCP-GOSISDBHSA-N 346.358 1.885 0 40 EDAB O=C(COc1ccc(F)cc1)N1CC(F)(F)C[C@@]2(CCNC2=O)C1 585093335 PRKSYTLTGISJLA-HNNXBMFYSA-N 342.317 1.578 0 40 EDAB CO[C@]1(COc2ccccc2C)CCN(C(=O)CN2CCOCC2)C1 585275735 GLQIKWDIBOLZPA-LJQANCHMSA-N 348.443 1.324 0 40 EDAB NC[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 50246636 GZYXFCJKSWBCST-MRVPVSSYSA-N 337.214 1.558 0 40 EDAB Cc1nc(C)c2c(C)c(C(=O)NCCCS(C)(=O)=O)sc2n1 47697052 CUKFEGLPUCSBJQ-UHFFFAOYSA-N 341.458 1.781 0 40 EDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)c1c(F)cccc1F 57210392 FWGRUYGTLDINKX-MRXNPFEDSA-N 342.411 1.903 0 40 EDAB Cn1cc(CCC(=O)OCC(=O)N2CCCc3ccccc32)cn1 56297363 DSZLBPKULLTRLC-UHFFFAOYSA-N 327.384 1.875 0 40 EDAB CCS(=O)(=O)N1CCN(Cc2ncc(C)c(OC)c2C)CC1 67227421 JDDBKIDOOOZEEM-UHFFFAOYSA-N 327.450 1.174 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NCCCNC(=O)c1ccccc1 69350617 AMQQTPTXFJIEQR-AWEZNQCLSA-N 329.404 1.391 0 40 EDAB COCC(=O)NCCCNC(=O)c1ccc(Br)cc1 69652862 RBWJATJQQJZLSY-UHFFFAOYSA-N 329.194 1.332 0 40 EDAB Cc1nc(CN2CCCN(C(=O)c3ccn(C)c(=O)c3)CC2)cs1 69875111 PDOIWASUQGUZPX-UHFFFAOYSA-N 346.456 1.498 0 40 EDAB COc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1-n1nnnc1C 69951462 YMDPNMMUKNRZLW-GHMZBOCLSA-N 346.391 1.620 0 40 EDAB Cc1cnc(CCNC(=O)CCc2nc3ccccc3c(=O)[nH]2)s1 69921660 LBIOVDQQSDBNHC-UHFFFAOYSA-N 342.424 1.980 0 40 EDAB Cc1cnn(CCC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1 70040834 MGRWMOSKUIQTGK-SFHVURJKSA-N 342.443 1.459 0 40 EDAB Cc1cnn(CCN[C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)c1 70006398 FIDKIQDOLFUHKP-LSDHHAIUSA-N 344.415 1.126 0 40 EDAB Cc1cnn(Cc2cc(C(=O)N[C@H]3c4ccccc4C[C@H]3O)no2)c1 89509326 PWAZHWIQFJWKDS-SJORKVTESA-N 338.367 1.616 0 40 EDAB O=C(c1cc2n(n1)CCCO2)N1CCN(CCc2ccccc2)CC1 85555238 VPQWYQGVPDZCTC-UHFFFAOYSA-N 340.427 1.666 0 40 EDAB CN1C[C@@H](C(=O)N2CCC(O)CC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595758 LGNOLFDQAFDUHN-VYDXJSESSA-N 334.391 1.420 0 40 EDAB CCCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(Cl)cc3)nc21 12114177 TZEBKCNJPWYOPR-UHFFFAOYSA-N 331.763 1.949 0 40 EDAB COc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)O)C1=O)OCO2 13511481 KYROCLZZADEPQF-JYOAFUTRSA-N 337.309 1.545 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1F 17012105 MFWTXLWGPQPKNI-OTYXRUKQSA-N 340.326 1.846 0 40 EDAB C[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)C[C@H](C)O1 17326993 IIMCQTOLOCGURG-IUCAKERBSA-N 345.193 1.408 0 40 EDAB COCCN1CN=C(Nc2nc(C)c3cc(OC)ccc3n2)NC1 19332189 RTOPFYASYMJRJR-UHFFFAOYSA-N 330.392 1.181 0 40 EDAB O=C1Cn2cc(nn2)CN(CC2CC2)Cc2ccccc2OCCN1 643566841 XVXABVIRFUEBSU-UHFFFAOYSA-N 341.415 1.199 0 40 EDAB CCCS(=O)(=O)N1CCN(c2cc(OCC)nc(C)n2)CC1 12224658 QQIUZHXETVWEPT-UHFFFAOYSA-N 328.438 1.046 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 585149492 AVDKBMZKOGJRFP-JKSUJKDBSA-N 335.492 1.872 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cc1 28058128 GYIIHIBDGDFYIV-RYUDHWBXSA-N 327.402 1.661 0 40 EDAB CC(C)Oc1ccc(CN2CCO[C@]3(COCC(=O)N(C)C3)C2)cc1 2037983744 DMLUGWKROUMFRS-IBGZPJMESA-N 348.443 1.533 0 40 EDAB CC(C)N(C)C(=O)[C@@H]1CN(Cc2cncn2C)CC12CCOCC2 2056225820 CKCMZDJELQBADB-INIZCTEOSA-N 334.464 1.516 0 40 EDAB COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1 421886 LMZAMZQSOIPIIX-UHFFFAOYSA-N 335.385 1.696 0 40 EDAB COc1cccc(OC)c1C(=O)N1c2ccccc2C[C@@H]1C(N)=O 9820410 BPFIQMAIRBCHIL-CYBMUJFWSA-N 326.352 1.761 0 40 EDAB CN(c1ncc(Cl)cn1)C1CCN(Cc2ccn(C)c(=O)c2)CC1 1849545252 FPSLVNPLHPFVFD-UHFFFAOYSA-N 347.850 1.930 0 40 EDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2cccc(C)c2)CC1 2055745789 ARBKCYHOCSEEGK-UHFFFAOYSA-N 341.459 1.343 0 40 EDAB COc1ccc(C(=O)COc2cc(=O)n3ccccc3n2)cc1OC 23141301 XRVJIDITPFSGKA-UHFFFAOYSA-N 340.335 1.973 0 40 EDAB COCCOCC1CCN(C(=O)COc2cccc(OC)c2)CC1 49028791 XWEONTDAEPRWNI-UHFFFAOYSA-N 337.416 1.976 0 40 EDAB COc1ccccc1OCC(=O)N1CC[C@@H](Oc2ccnc(C)n2)C1 575612720 LTTWWLFJJYQPJA-CQSZACIVSA-N 343.383 1.852 0 40 EDAB O=C1CCC(=O)N1CC1CN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 618255261 AJSRORVLQLXCDD-UHFFFAOYSA-N 330.428 1.810 0 40 EDAB O=C(O[C@@H]1CCOC1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390831298 RCDGUGIPTHLLPS-HUUCEWRRSA-N 339.413 1.774 0 40 EDAB O=C(NC[C@@H](OCCO)c1cccs1)c1ccc2c(c1)OCO2 575618704 BEDZJPOMWBIQPL-CQSZACIVSA-N 335.381 1.957 0 40 EDAB Cc1ccc(NCCNC(=O)Nc2ccc3c(c2)OCCO3)nn1 35597991 WFIOKGQQWNNVLF-UHFFFAOYSA-N 329.360 1.790 0 40 EDAB Cc1cc(F)c2c(c1)CCCN2CC(=O)N[C@H]1CCS(=O)(=O)C1 30153288 AUTIHTIPFUEMFX-ZDUSSCGKSA-N 340.420 1.190 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)N1CCO[C@H]2CCCC[C@H]21 40553882 QGQIBTLYHFUGCV-CVEARBPZSA-N 327.384 1.567 0 40 EDAB COC(=O)c1sc2cccc(F)c2c1CNS(=O)(=O)N(C)C 69658728 GUEPJDZRLBGSTC-UHFFFAOYSA-N 346.405 1.723 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1ccc(S(C)(=O)=O)cc1)CC2 69652307 KPOPRJOMKWOLIS-CYBMUJFWSA-N 334.445 1.349 0 40 EDAB O=C(CN1CCN(C[C@@H](O)c2ccccc2Cl)CC1)NC1CC1 46037688 QYQVHZMFPNSJQY-MRXNPFEDSA-N 337.851 1.270 0 40 EDAB O=C(c1ccc(F)cc1)N1CCN(c2cn[nH]c(=O)c2Cl)CC1 29528623 IYQPOSRYQGBKCG-UHFFFAOYSA-N 336.754 1.525 0 40 EDAB C[n+]1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc[n+]2C)cc1 1694052 SOFVVSUIRJOFAT-UHFFFAOYSA-P 348.406 1.840 0 40 EDAB CCOC(=O)N1CCN(C(=O)CCn2ncc3ccccc32)CC1 40757951 BXWHFWWUJVURPD-UHFFFAOYSA-N 330.388 1.727 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC(C)C)cc1C 6471562 ABPAKQDLYGATQT-UHFFFAOYSA-N 342.461 1.786 0 40 EDAB C[C@H](CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)N1CCCC1 32824233 NMTPKKJTQSBLBR-LLVKDONJSA-N 346.399 1.897 0 40 EDAB NS(=O)(=O)c1cc(C(=O)Nc2ccccc2N2CCCC2)co1 89814287 AFUHTKNZJQPZKY-UHFFFAOYSA-N 335.385 1.780 0 40 EDAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCCCC1 21897326 XSLFUIIDUNLWGL-CYBMUJFWSA-N 330.384 1.823 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1C 33028371 VKRTZMPQGWMIMN-OAHLLOKOSA-N 333.432 1.771 0 40 EDAB O=C(Nc1ccc2c(c1)C(=O)NC2=O)N[C@@H]1CCCCC12OCCO2 89807617 XMZGBGJODBNHCP-CYBMUJFWSA-N 345.355 1.377 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)c2ccccc2O1 7827973 YUYHZFBFOODUIE-IAGOWNOFSA-N 338.363 1.530 0 40 EDAB COc1ccc([C@@H](O)CN2CCC(NC(=O)C3CC3)CC2)cc1F 52827883 JHJXFTWDGAGLBC-INIZCTEOSA-N 336.407 1.858 0 40 EDAB Cc1cccc(N2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)c1 33238693 RXAXCQKZKVFIKE-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB Cc1nn(C)c(C)c1C(=O)OCC(=O)NCCOc1ccccc1 12346231 NCAJHFLSNLRCTG-UHFFFAOYSA-N 331.372 1.389 0 40 EDAB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1cc2c([nH]c1=O)CCC2 89845586 YWBMCDZIQXUNSZ-ZDUSSCGKSA-N 337.379 1.399 0 40 EDAB CC(C)[C@H](NC(=O)CN(C)CC(N)=O)c1ccc2c(c1)OCCCO2 47628674 BWUITBCMNXUNCV-SFHVURJKSA-N 349.431 1.078 0 40 EDAB CCOc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1CO 54040948 GBHUFCABNPMRET-UHFFFAOYSA-N 326.374 1.983 0 40 EDAB CC(=O)Nc1ccc(OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 69771826 YUCYCWAIJPHERH-UHFFFAOYSA-N 345.399 1.105 0 40 EDAB CCCOc1cc(S(=O)(=O)N(CCO)CCO)ccc1Cl 54363531 CZIKWTXVSOVQSJ-UHFFFAOYSA-N 337.825 1.104 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)cc1OC 23386297 YYCVFIIJWPWVLX-AWEZNQCLSA-N 345.399 1.976 0 40 EDAB CC(=O)c1ccc(N2C(=O)[C@H]3C(c4cccnc4)=NO[C@H]3C2=O)cc1 101358979 SMOFNUDLCMBJKP-GOEBONIOSA-N 335.319 1.577 0 40 EDAB CNC(=O)[C@@H]1CCC[C@@]12CCN(S(=O)(=O)Cc1ccccc1)C2 108536482 WYZHERCFLWDPHR-RDJZCZTQSA-N 336.457 1.755 0 40 EDAB COc1cccc([C@H]2CCCN2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 42869094 LIEHSQOTAGEITH-UKRRQHHQSA-N 338.429 1.729 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CCO1 72050507 IHVZNFAMIQWAGU-UPJWGTAASA-N 342.317 1.522 0 40 EDAB COc1ccc(OC)c([C@H](O)CN2C(=O)NC3(CCCC3)C2=O)c1 44262817 XUIYEHCRIAPABG-CYBMUJFWSA-N 334.372 1.602 0 40 EDAB CCNC(=O)C1CCN(Cn2nc(C)c3ccccc3c2=O)CC1 26645771 MLZPUZKZUFWYFH-UHFFFAOYSA-N 328.416 1.511 0 40 EDAB Cc1cccc(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 44388547 YZJYZGWBZQXVEU-UHFFFAOYSA-N 345.380 1.003 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)Nc1ccc(N2CCOCC2)nc1 48070304 VYIQMUFNPBEBEZ-CYBMUJFWSA-N 330.392 1.325 0 40 EDAB C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccnn1C 108474575 NNHAJBGODPFYHL-WMLDXEAASA-N 327.432 1.740 0 40 EDAB O=C1COc2ccc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)cc2N1 44754882 BBIMPNQRXLCXPN-UHFFFAOYSA-N 325.280 1.704 0 40 EDAB COc1cc2nc(CN3C[C@@H](C)OC[C@@H]3C)[nH]c(=O)c2cc1OC 27642733 FKWXYMBOIXBQKY-WDEREUQCSA-N 333.388 1.550 0 40 EDAB COc1ccccc1S(=O)(=O)NCC(=O)NC1CCCCC1 58265780 ACVCISBCQJUZQB-UHFFFAOYSA-N 326.418 1.422 0 40 EDAB COCC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 58214777 DNOSYHWTZHFNBD-AWEZNQCLSA-N 346.349 1.841 0 40 EDAB CC(=O)N[C@@H](C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1)C(C)C 44966811 JWIQLZFRKYVEQV-IIYDPXPESA-N 348.447 1.794 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)N(C)C(C)C 44937157 PCQQTGOWZSBRAO-ZDUSSCGKSA-N 328.434 1.733 0 40 EDAB CC(C)Oc1cccc([C@@H](C)NC(=O)Cn2nc(O)ccc2=O)c1 44942126 FTSXDAPJGWVEMR-GFCCVEGCSA-N 331.372 1.614 0 40 EDAB Cc1cccc(NC(=O)CCNC(=O)Cc2cn3ccsc3n2)n1 58342664 HVBTZBCDZARMBP-UHFFFAOYSA-N 343.412 1.787 0 40 EDAB CCN(CC(=O)NC)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 58328668 UPOHHOHKJGDTGQ-UHFFFAOYSA-N 328.416 1.756 0 40 EDAB COc1ccccc1C(=O)N[C@H](C(=O)NC1CCC(O)CC1)C(C)C 12781331 NQXYWRANKBGOLO-KVULBXGLSA-N 348.443 1.869 0 40 EDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCCN1CCCCC1 45194776 ZUXQHGSTFBIFMF-UHFFFAOYSA-N 343.431 1.550 0 40 EDAB COc1cccc(CCC(=O)NC2CCS(=O)(=O)CC2)c1OC 36398234 KSKKRYBOJIYYKL-UHFFFAOYSA-N 341.429 1.330 0 40 EDAB NC(=O)[C@@H](NC(=O)CN1CCc2sccc2C1)c1ccccc1 58791133 HMGOONATQRGQHB-INIZCTEOSA-N 329.425 1.449 0 40 EDAB Cc1ccccc1OCCN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 36431119 ZJWOKKJNSYNPHD-GJZGRUSLSA-N 342.461 1.660 0 40 EDAB O=C(CN1CCCCCC1=O)NCc1ccc(N2CCCC2)nc1 48333272 KPPNHAADHYLYFT-UHFFFAOYSA-N 330.432 1.701 0 40 EDAB Cn1cc(C(=O)N2CCN(c3cnccn3)CC2)c(-c2ccccc2)n1 91035095 NCBWPYCZDLPTKP-UHFFFAOYSA-N 348.410 1.840 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(CC(F)(F)F)CC1 48359114 BISXRVYHMMNDKL-SNVBAGLBSA-N 333.310 1.104 0 40 EDAB COc1ccc(CCC(=O)N2CCN(c3ncccn3)CC2)cc1 3603540 JNEMWOOZJUPFOP-UHFFFAOYSA-N 326.400 1.767 0 40 EDAB CC(C)(C)C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1 49388584 MSTPOJCPLMUDHL-AWEZNQCLSA-N 347.390 1.969 0 40 EDAB CC1=NN(c2ccc(C(=O)N3CCN(CC(C)(C)O)CC3)cc2)CC1 69895762 XNMODUNKLRGCMI-UHFFFAOYSA-N 344.459 1.801 0 40 EDAB O=C(Nc1cccc2nsnc12)C(=O)N1CCCC[C@H]1CCO 13736661 OWUUELVFLCFERC-JTQLQIEISA-N 334.401 1.393 0 40 EDAB Cc1ccccc1OCCCC(=O)Nc1nnc(S(C)(=O)=O)[nH]1 69414785 DEXKEGXZSOTVCE-UHFFFAOYSA-N 338.389 1.314 0 40 EDAB Cc1nc(-c2ccco2)ccc1C(=O)NCCN1CCN(C)CC1 69452682 SJHYYOBYPSKULL-UHFFFAOYSA-N 328.416 1.627 0 40 EDAB C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 65479518 KBWRGTSTBGCUFJ-WBVHZDCISA-N 345.443 1.045 0 40 EDAB C[C@@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)CC(=O)N2 65418684 SFYQWWKOZJYBPP-GFCCVEGCSA-N 327.388 1.828 0 40 EDAB O=C1Cc2cc(C3=NN=C(NC[C@@H]4CCCO4)SC3)ccc2N1 14168072 NCPFWUZJMINNFO-LBPRGKRZSA-N 330.413 1.757 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)c1ncc(S(N)(=O)=O)s1 65621496 XMOUBAFMKHVKTM-VIFPVBQESA-N 341.414 1.067 0 40 EDAB COCCN(C(=O)COc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 4749865 QDHOCDGQPXTLMJ-CQSZACIVSA-N 341.429 1.036 0 40 EDAB COc1ccccc1CNC(=O)CCc1c(C)nc2ncnn2c1C 4936038 CBEROVCFFRXESD-UHFFFAOYSA-N 339.399 1.999 0 40 EDAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccccc2)s1 8878774 XHKAVGDAGRBGSU-UHFFFAOYSA-N 338.454 1.770 0 40 EDAB COc1ccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1C 67583535 SMVFBLYTUNPXNO-ZDUSSCGKSA-N 341.433 1.549 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 7608334 FGXMXCKVVLRHMM-UHFFFAOYSA-N 347.392 1.890 0 40 EDAB CC1CCC(N(C)C(=O)CN2CCN(c3cnccn3)CC2)CC1 96714519 MAPFNIFJPXGRPD-UHFFFAOYSA-N 331.464 1.636 0 40 EDAB COc1cccc(CN(C)Cn2nc3ccccn3c2=O)c1OC 9725759 SSJSNIIFJVIMIZ-UHFFFAOYSA-N 328.372 1.603 0 40 EDAB Cn1cc(S(=O)(=O)NCc2nccn2CCc2ccccc2)cn1 96000510 JQSNNMBKMQRLPM-UHFFFAOYSA-N 345.428 1.338 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1CC(=O)NCc1ccc(Cl)cc1 60242074 BTLUJYDNDVUCOS-INIZCTEOSA-N 343.814 1.873 0 40 EDAB Cc1cc(CN2CCO[C@H](c3cnn(C)c3)C2)ccc1-n1cncn1 93647304 VIVHRXORFYLYPF-SFHVURJKSA-N 338.415 1.883 0 40 EDAB COC1(CNC(=O)c2nnn(-c3ccccc3)c2C)CCOCC1 84061102 UAJGYQSUWMDHEF-UHFFFAOYSA-N 330.388 1.501 0 40 EDAB COc1cccc(CCC(=O)N2CCC(CC(N)=O)CC2)c1OC 71793006 XAEUGUCLNBOULX-UHFFFAOYSA-N 334.416 1.750 0 40 EDAB COc1ccc2c(C)c(CC(=O)Nn3cnnc3)c(=O)oc2c1OC 9547757 YQADVZIMYUMKHT-UHFFFAOYSA-N 344.327 1.023 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)C[C@H]1N1CCOCC1 76053906 FRHBQJIDZXBHAT-DJIMGWMZSA-N 330.428 1.732 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@@H]1N1CCOCC1 76052072 FARYAXYOIADEOH-PVUWLOKVSA-N 334.391 1.308 0 40 EDAB CC(C)n1ccnc1CN1CCCN(C(=O)c2ccc[nH]c2=O)CC1 71851877 OQTCCYAFYOTTLT-UHFFFAOYSA-N 343.431 1.500 0 40 EDAB O=C(Nc1nnn[nH]1)c1ccn(-c2cccc(Br)c2)n1 71883652 IIGONKJJSARUQP-UHFFFAOYSA-N 334.137 1.400 0 40 EDAB CCO[C@H](C)C(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1 71858631 DEAZSTHIOYRBBQ-GFCCVEGCSA-N 342.417 1.071 0 40 EDAB O=C(c1noc2c1CCCC2)N1CCN(Cc2cccnc2)CC1 71821477 MJPBBLMUTRBTOQ-UHFFFAOYSA-N 326.400 1.906 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)NC2(C(=O)O)CCCCC2)cc1 71802772 FELWDJXLWYDAET-JXMROGBWSA-N 330.384 1.963 0 40 EDAB CCN(C)c1ccccc1CNC(=O)C(=O)Nc1cccnc1OC 71883852 OJAMAOFQBLSTGK-UHFFFAOYSA-N 342.399 1.801 0 40 EDAB Cc1nccc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)n1 71863705 OXBSTNMXNDVOMN-KRWDZBQOSA-N 326.400 1.276 0 40 EDAB C[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@@H]1N1CCOCC1 76054821 XWYNTOFVTPJZBQ-NEPJUHHUSA-N 346.353 1.081 0 40 EDAB COc1ccccc1C(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 84102043 OIRNLAFHIGIUPF-LBPRGKRZSA-N 349.412 1.812 0 40 EDAB CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1nccc(N)n1 84169547 SPKSGPIZCYGCBE-JTQLQIEISA-N 337.449 1.013 0 40 EDAB Cc1cc(C)n(CCN2CC[C@@H](N(C)Cc3nnc(C)n3C)C2)n1 84104717 OFRBTVSSRWEPRB-MRXNPFEDSA-N 331.468 1.143 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN1CCC[C@H]1CC(=O)c1ccco1 84199360 IUFCSIYAFJHJGN-LBPRGKRZSA-N 335.404 1.941 0 40 EDAB COC(=O)C[C@H](C)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 72280808 ZQAQWKRGEWPIOK-NSHDSACASA-N 335.356 1.489 0 40 EDAB O=C(c1ccc2c(c1)OCCCO2)N1CCN([C@H]2CCC[C@@H]2O)CC1 72268941 DMFOITHSYQDYLG-HOTGVXAUSA-N 346.427 1.519 0 40 EDAB NC(=O)c1cccnc1N1CCC(CNC(=O)c2cccs2)CC1 72293036 PQKGPEHWZCEUOC-UHFFFAOYSA-N 344.440 1.888 0 40 EDAB Cc1sc(=O)n(CCC(=O)N2CCOC[C@H]2c2cccn2C)c1C 97143883 ZJEDGDGPWQYUOB-HNNXBMFYSA-N 349.456 1.855 0 40 EDAB C[C@H](NC(=O)CN1CCc2nn(C)c(=O)cc2C1)c1cccs1 72302453 RGNPDYMEGZEYLY-NSHDSACASA-N 332.429 1.077 0 40 EDAB C[C@H](OC(=O)c1nc(Br)cnc1N)C(=O)NC(C)(C)C 72312501 WXZQQVALHHRRED-LURJTMIESA-N 345.197 1.281 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N3CC[C@@](O)(C(F)(F)F)C3)ccc21 77990999 ZCLDMZJDHZUKTA-HNNXBMFYSA-N 342.317 1.735 0 40 EDAB O=C(Nc1ccn(CC(F)F)n1)C1CCN(c2cnccn2)CC1 79013780 AHSXRIRTIRCERY-UHFFFAOYSA-N 336.346 1.793 0 40 EDAB C[C@@H](C(=O)Nc1ccc(=O)n(C)c1)S(=O)(=O)c1ccc(F)cc1 95954078 DQZWDWAMEWTDPC-JTQLQIEISA-N 338.360 1.325 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 95994983 BUCFBZJGPWFNRP-OAHLLOKOSA-N 334.445 1.941 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccc(-n2cccn2)cc1 95987316 CVNKTEZRFABYER-QWHCGFSZSA-N 327.388 1.990 0 40 EDAB CC(=O)N1CCOC[C@H]1C(=O)N1CCC(=Cc2ccccc2)CC1 95979006 FIENKRQOPWFKJS-SFHVURJKSA-N 328.412 1.940 0 40 EDAB C[C@]1(CNC(=O)N2CCS(=O)(=O)CC2)CCCc2ccccc21 95984149 SBDCKJCHOMOHKE-QGZVFWFLSA-N 336.457 1.721 0 40 EDAB CCS(=O)(=O)CC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 89272304 DYIULBNFIBIASK-GOEBONIOSA-N 336.457 1.564 0 40 EDAB CCn1cc([C@H]2OCC[C@@H]2CNCc2c(C)nn(CCO)c2C)cn1 89305996 TUSOCFSLDUJJHH-QAPCUYQASA-N 347.463 1.576 0 40 EDAB COc1ccccc1CN(Cc1cccs1)C(=O)[C@@H]1CNC(=O)N1 89473647 GEOKNTRHSVIFLK-AWEZNQCLSA-N 345.424 1.967 0 40 EDAB O=C(CCOC[C@H]1CCCO1)Nc1cc(C(F)(F)F)c[nH]c1=O 75117982 OAPHMEPQNZQLAW-SNVBAGLBSA-N 334.294 1.918 0 40 EDAB CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1CN1CCOCC1 20268368 LYVMWQXBOGNVNA-UHFFFAOYSA-N 341.433 1.041 0 40 EDAB COc1ccc(NC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)cc1 29645276 BOCICEPZUIAIFJ-UHFFFAOYSA-N 336.369 1.604 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Cl)cc2)s1 36182812 YFHPJLRNTQEEOP-UHFFFAOYSA-N 332.794 1.951 0 40 EDAB Cc1nc(Nc2ccccn2)cc([C@H]2CCCCN2CC(N)=O)n1 72383616 UTAJVZIIEJQJFY-CQSZACIVSA-N 326.404 1.936 0 40 EDAB COCCNc1ccc(C[C@H]2CCCN(Cc3ncc[nH]3)C2)nn1 72387294 HEMGROGRDAYCLI-CQSZACIVSA-N 330.436 1.713 0 40 EDAB COc1cc(N2CCN(Cc3cnc(C(=O)O)cn3)CC2)ccc1F 530163063 LXGKCRKWNVMSEF-UHFFFAOYSA-N 346.362 1.645 0 40 EDAB O=C(NC[C@@H]1CCC(F)(F)CO1)N1CC[C@@H]2[C@@H]1CCCN2CCO 1553245025 ZXCWSONFZGPBMI-MJBXVCDLSA-N 347.406 1.041 0 40 EDAB CCCNS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1 217544968 GAYSKOUYNYIILY-SNVBAGLBSA-N 330.406 1.520 0 40 EDAB Cn1c(=O)c(CNC(=O)N[C@H](CN)C2CCCC2)cc2ccccc21 561217259 CGFMXGURRGCGAR-MRXNPFEDSA-N 342.443 1.855 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cnc2n1CCCC2 562747284 ZIHPDNPPSZBHJX-TXEJJXNPSA-N 330.388 1.333 0 40 EDAB O=C(O)[C@H]1CN(C(=O)NCc2ccccc2Br)CCO1 43706777 ZCFVNTFQXVJPID-LLVKDONJSA-N 343.177 1.444 0 40 EDAB CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC=C(F)C2)CC1 521396280 HJRORRVOLPETGS-UHFFFAOYSA-N 327.400 1.625 0 40 EDAB CO[C@H]1C[C@@H](C(N)=O)N(c2cc(SCc3ccccc3)ncn2)C1 521396787 HKHRGLQMMDWWBT-KBPBESRZSA-N 344.440 1.848 0 40 EDAB Cc1cccc(OC[C@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)O)c1 573798434 GPYNDANNWABPJY-JSGCOSHPSA-N 342.417 1.146 0 40 EDAB CN(C)c1nccc(CNS(=O)(=O)c2ccc(F)cc2F)n1 224240623 SHVZBSPEGUITNC-UHFFFAOYSA-N 328.344 1.299 0 40 EDAB Cc1ccc(C(=O)NCc2c(C)nn(C)c2C)cc1-n1cnnn1 80330804 IRJGNUHPPOAAKP-UHFFFAOYSA-N 325.376 1.251 0 40 EDAB CC1(C)Oc2ccc(S(=O)(=O)NCc3cccnc3)cc2NC1=O 46089296 YPMGIRYHXBLJFB-UHFFFAOYSA-N 347.396 1.670 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224740265 AOLZTZDSYWDHFC-QMMMGPOBSA-N 334.467 1.990 0 40 EDAB O=C(O)[C@H]1CCCN(c2nccn(Cc3cccc(F)c3)c2=O)C1 96530550 POIMPSDDDNZOCX-ZDUSSCGKSA-N 331.347 1.732 0 40 EDAB CCO[C@H](C)c1noc(CN2CCN(Cc3cccnc3)CC2)n1 96441589 HGOCIHLPDLTDKH-CQSZACIVSA-N 331.420 1.880 0 40 EDAB CCOCC(=O)N1C[C@H]2CN(Cc3ccc(OC)cc3)C(=O)[C@H]2C1 96245361 URFLMKLIPCGQKD-HOCLYGCPSA-N 332.400 1.149 0 40 EDAB O=c1cc(CN2CCN(c3ncnc4ccsc34)CC2)occ1O 96424523 IHFRTJAWJTYWNX-UHFFFAOYSA-N 344.396 1.672 0 40 EDAB Cc1nc(CN2CCOC[C@@]3(C2)CN(CC2CC2)CCO3)cs1 96229432 QHTNQAWZAAQGCB-KRWDZBQOSA-N 337.489 1.765 0 40 EDAB Cc1c(F)cccc1C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 578126400 XIVBLRPTCKPIGX-CYBMUJFWSA-N 339.374 2.503 0 40 EDAB O=C(CNC(=O)NCc1ccco1)N[C@@H]1CCC[C@H]1n1ccnc1 96411791 ABPJTVKSSQPDOC-ZIAGYGMSSA-N 331.376 1.185 0 40 EDAB Cc1cnc(N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 96226781 SOTLCAUFEHFQDO-GOSISDBHSA-N 342.399 1.890 0 40 EDAB O=C([C@@H]1CCO[C@@H]2CCN(CC3CCOCC3)C[C@H]21)N1CCCC1 96058272 IEGWPIMRHFCWNP-FGTMMUONSA-N 336.476 1.762 0 40 EDAB Cc1cc(NC(=O)CN2CCN([C@H](C)c3cccnc3)CC2)n(C)n1 96424305 CHRIMXMFMLZOFH-OAHLLOKOSA-N 342.447 1.441 0 40 EDAB COCCN1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244285 JDTQYRHSGOBNTJ-SFHVURJKSA-N 326.400 1.659 0 40 EDAB O=C(COC[C@]12COC[C@H]1CN(Cc1ccoc1)C2)N1CCCC1 96108802 DOWUVLQONURIRX-AEFFLSMTSA-N 334.416 1.367 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CC(=O)Nc3cc(F)ccc31)C2 97199178 YUVFNNWVHFVZMP-OCCSQVGLSA-N 342.374 1.888 0 40 EDAB CN(c1ccccc1)C1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 96455315 LTAKOVXNEDGJIH-SFHVURJKSA-N 331.460 1.882 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccncc2)Cc2ncn(C)c21 96044876 FWQWTRKHEBBEBS-HNNXBMFYSA-N 343.431 1.019 0 40 EDAB CNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(CCOc2ccc(Cl)cc2)C1 96041245 WXOPXUMFWGRSPD-APHBMKBZSA-N 338.835 1.944 0 40 EDAB COc1cc(N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)ncn1 247868197 BVDUDVBFXZPNTI-LBPRGKRZSA-N 329.360 1.092 0 40 EDAB O=C([C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21)N1CCC1 247864373 NWJNEHJOHHXDDL-HNNXBMFYSA-N 340.383 1.401 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCCc2cc(C)n(C)n2)c1 244933159 CEFZRJVBDHPEBM-UHFFFAOYSA-N 339.417 1.267 0 40 EDAB C[C@H](CCc1cccc(F)c1)NS(=O)(=O)N1CCOC[C@H]1C 245343854 WCCKZSOJDLOHEX-CHWSQXEVSA-N 330.425 1.702 0 40 EDAB C[C@@H]1C[C@H]1N1C[C@H](Nc2ncc(C(=O)N(C)C)cc2Cl)CC1=O 608094379 FDKJOUXOIOFROI-IRUJWGPZSA-N 336.823 1.858 0 40 EDAB CC[C@H]1CN(S(=O)(=O)c2ccc(OCCOC)c(C)c2)C[C@@H]1O 536328142 IMXVUPGVRCXNDI-ZFWWWQNUSA-N 343.445 1.412 0 40 EDAB Cc1cc(CNC(=O)Nc2ccc(C)c(N3CCNC3=O)c2)n(C)n1 252485542 GYCOUYBGGGXDBZ-UHFFFAOYSA-N 342.403 1.888 0 40 EDAB C[C@]1(c2ccccc2)CN(C(=O)C2CN([C@@H]3CCOC3)C2)CCO1 585132028 MXGWGCZEDFYTNL-IEBWSBKVSA-N 330.428 1.481 0 40 EDAB O=S(=O)(Nc1nn(CC(F)(F)F)cc1Cl)N1CCCC1 585118984 LEZCIESNYIQDFI-UHFFFAOYSA-N 332.735 1.851 0 40 EDAB O=C([C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N1CCCSCC1 585122015 KKBSRFSEDVUPBL-JSGCOSHPSA-N 349.374 1.763 0 40 EDAB 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GWZRTJYXPNZUFG-CYBMUJFWSA-N 346.387 1.141 0 40 EDAB Cn1cc(CN2CCCC[C@H]2C(=O)N2CCOCC2)c(C(C)(C)C)n1 97033919 ONQQESCNKGEPQY-INIZCTEOSA-N 348.491 1.931 0 40 EDAB Cn1ncc2c(NCCNC(=O)C3(c4ccccc4)CC3)ncnc21 97001426 PPBLYLMQGYUIKO-UHFFFAOYSA-N 336.399 1.623 0 40 EDAB Cc1cc(S(=O)(=O)N2CCCn3ncnc32)ccc1OC(C)C 97001519 WHCCWTDYFGVNKB-UHFFFAOYSA-N 336.417 1.973 0 40 EDAB Cc1noc(CCNS(=O)(=O)N2CCC[C@H]2c2ccco2)n1 84286710 OYXHQYGVLCDXOY-NSHDSACASA-N 326.378 1.185 0 40 EDAB O[C@@H](CN1CCN(c2nccc(C(F)(F)F)n2)CC1)C(F)(F)F 97141603 XQGKTVXCEYCNFH-VIFPVBQESA-N 344.259 1.541 0 40 EDAB COCc1ccc([C@H]2CCCN2C(=O)N[C@H](C)Cn2cncn2)o1 97148089 YIJUPOKYWMQISG-TZMCWYRMSA-N 333.392 1.953 0 40 EDAB O=C1C[C@@H](C(=O)N[C@H]2CCc3nccn3C2)c2ccc(F)cc2N1 97197757 PKVJPKGPZNTESU-WCQYABFASA-N 328.347 1.579 0 40 EDAB CCCc1n[nH]c([C@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)n1 76049629 XWEPWDMCSNUJNO-CQSZACIVSA-N 347.419 1.382 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCn2ccnc2C1 97201181 VVJNLBGHNHKREO-UKRRQHHQSA-N 326.400 1.727 0 40 EDAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccn1 97513471 OTMFMJWBVACBMM-LBPRGKRZSA-N 345.852 1.669 0 40 EDAB CC(C)c1noc(CN2CCN(C(=O)Cc3cccnc3)CC2)n1 95395205 RHCFCPLQEXIRCE-UHFFFAOYSA-N 329.404 1.475 0 40 EDAB O=S(=O)(N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccccc1F 95436041 FOQCJRHYGNLRMS-HIFRSBDPSA-N 339.388 1.589 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cn1 78480920 QDPKABHBSAWECX-MRVPVSSYSA-N 333.207 1.607 0 40 EDAB COCCn1cc(NC(=O)N2CCNC(=O)[C@@H]2c2cccs2)cn1 78933247 LIPOLBPIDXPEPO-ZDUSSCGKSA-N 349.416 1.296 0 40 EDAB Cc1cc(C)n(-c2cncc(N3CCN(C(=O)C(C)C)CC3)n2)n1 78979656 NLQRPEYLNKSNLB-UHFFFAOYSA-N 328.420 1.584 0 40 EDAB C[C@](O)(CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1)c1ccco1 73930906 FCBWLJVSWVAKLT-MFKMUULPSA-N 335.326 1.423 0 40 EDAB Cn1cc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)ccc1=O 95954191 FVKWGSWAQSYDOZ-QGZVFWFLSA-N 341.411 1.189 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)NCCCN1CCCCCC1=O 89364931 TWYUDJACAGDKMN-UHFFFAOYSA-N 348.451 1.158 0 40 EDAB O=C(NCC(=O)N1CCc2c(Br)cccc2C1)C1CC1 75126356 HYUHUKLVACYBTB-UHFFFAOYSA-N 337.217 1.860 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 20490491 UUYAVPJNAGZOHF-DZGCQCFKSA-N 339.461 1.382 0 40 EDAB CC(C)Nc1nnccc1C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C 1548648001 ZVDLGFHFFFFBCM-OLZOCXBDSA-N 333.436 1.816 0 40 EDAB CCc1c(C(=O)OCCn2cncn2)nnn1-c1cccc(Cl)c1 67484258 FUSGWQSVFFPTCI-UHFFFAOYSA-N 346.778 1.932 0 40 EDAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(C(C)C)C[C@@H]32)cc1 306141942 WKXQPDOAYLVKNW-JKSUJKDBSA-N 340.427 1.199 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCCc2ccccc2)[C@@H]1c1ccccc1 72238080 ZVIUOHLOJMQWFZ-OALUTQOASA-N 338.407 1.944 0 40 EDAB COc1c[nH]c(C(=O)Nc2n[nH]c(CCc3ccccc3)n2)cc1=O 524732960 FZLGVFPSRYVVMF-UHFFFAOYSA-N 339.355 1.539 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccncc2)NC(=S)N[C@]1(O)C(F)(F)F 35023093 ISCFPDWNQQKEQN-YGOYTEALSA-N 349.334 1.031 0 40 EDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OC(C)C 35183181 NSNKIKRLRZTLBV-UHFFFAOYSA-N 339.388 1.832 0 40 EDAB O=C(N[C@@H]1CCOc2ccc(F)cc21)[C@@H]1COCCN1CC(F)F 187658205 ZXSFFPHDXREIGR-OLZOCXBDSA-N 344.333 1.731 0 40 EDAB O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(O)cc2c1=O 77293473 BHWPCJSQQBRNMN-UHFFFAOYSA-N 329.356 1.150 0 40 EDAB in-vitro Cc1ccc(-c2snnc2C(=O)NCCCN2CCOCC2)cc1 72240044 RXFSEBYPRGJORJ-UHFFFAOYSA-N 346.456 1.966 0 40 EDAB CCOc1cccc2c1OC[C@H](C(=O)N1CCCS1(=O)=O)C2 78611918 RNAMIYRMLVSALR-GFCCVEGCSA-N 325.386 1.199 0 40 EDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCCn2cccn2)o1 72241031 WPUSWRUWANQZLZ-OAHLLOKOSA-N 330.388 1.482 0 40 EDAB CC[C@H]1CN(C(=O)CN2CCCC2=O)CCN1Cc1ccccc1 185338217 QQDWFMBUCKDHOZ-KRWDZBQOSA-N 329.444 1.732 0 40 EDAB COc1ccccc1[C@H](O)Cn1cc(C(=O)NCc2ccco2)nn1 75164045 HEKXFRRIKBFYBM-OAHLLOKOSA-N 342.355 1.543 0 40 EDAB Cc1cc(C)c2[nH]cc(C(=O)O)c(=NC[C@H]3CN(C)CCN3C)c2c1 566857707 HDPVAEGMBFACRH-AWEZNQCLSA-N 342.443 1.629 0 40 EDAB Cn1cccc1C(=O)NC1CCN(C(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 195529902 IKCLSRTZVDXJTH-LZWOXQAQSA-N 327.428 1.958 0 40 EDAB Cc1cc(C)n(CCNC(=O)c2nnc3ccc(Cl)cc3n2)n1 46088533 QXZBUNXPUWBWCB-UHFFFAOYSA-N 330.779 1.922 0 40 EDAB Cc1ccc(F)c(CN(C)S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1 573680874 JTJCGUFOVPQZQG-GFCCVEGCSA-N 344.408 1.607 0 40 EDAB CN(c1ccc(O)cc1)S(=O)(=O)c1cnn(CC(F)(F)F)c1 194207646 BZCRPQJILINYJT-UHFFFAOYSA-N 335.307 1.976 0 40 EDAB CN1CCN(C(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)CC1 225974202 QXBHRDARSUJYQL-UHFFFAOYSA-N 345.852 1.123 0 40 EDAB O=C([C@H]1CCc2[nH]cnc2C1)N1CCN(CCc2ccccc2)CC1 225510577 UAZJFEWQIGJQHE-KRWDZBQOSA-N 338.455 1.902 0 40 EDAB CS(=O)(=O)N[C@@H](CC(=O)N1CCOCC1)c1ccc(Cl)cc1 225952089 CDZHDKDRAFKVEM-ZDUSSCGKSA-N 346.836 1.179 0 40 EDAB Cc1ccc(C)c(C(=O)NCc2ccnc(N3CCOCC3)n2)c1 224217406 JYFCGUSTDLFDHM-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB COc1ccc(/C=C(\C(=O)NCCN(C)C)n2ccccc2=O)cc1 199401526 OZTGYZBBNUVAMY-SAPNQHFASA-N 341.411 1.533 0 40 EDAB CN(C)C(=O)CN1C(=O)CCC12CCN(Cc1ccsc1)CC2 96228096 XAUDEEVJUDGOLE-UHFFFAOYSA-N 335.473 1.793 0 40 EDAB Cc1cccc(CN2C(=O)COC3(CCN(C(N)=O)CC3)[C@@H]2C)n1 96201619 XOBPOYWCPXFGEO-ZDUSSCGKSA-N 332.404 1.051 0 40 EDAB Cc1cnc(NC(=O)[C@H]2CCCN(c3ccc4nnnn4n3)C2)s1 95473308 PWOYAGIUTXAUIX-JTQLQIEISA-N 344.404 1.139 0 40 EDAB CCN(CC)CCNC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1 96192077 ULLOZFXIRNBPBN-UHFFFAOYSA-N 343.427 1.918 0 40 EDAB CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccoc3)C2)C1 96228837 HTHYJPODKYAFOR-SFHVURJKSA-N 335.448 1.396 0 40 EDAB O=C(N1CCCC1)N1CC[C@H]2OCC[C@@]2(CCNc2ncccn2)C1 96206666 XLPKHZHTDCALDY-QAPCUYQASA-N 345.447 1.975 0 40 EDAB CC(C)CN1CC2(CCN(C(=O)NCc3cccnc3)CC2)C1=O 96202823 NCGCYZMSCXNPET-UHFFFAOYSA-N 330.432 1.872 0 40 EDAB CCOC[C@H]1C[C@@]2(COCCN2S(=O)(=O)c2cccs2)CO1 96240738 UCVZUUQCPFVBMA-TZMCWYRMSA-N 347.458 1.333 0 40 EDAB O=C(O)c1cn([C@H]2CCN(c3ncccc3C(F)(F)F)C2)nn1 581938750 SATNYJZILJDEPQ-QMMMGPOBSA-N 327.266 1.842 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96107776 ZDCLUXHGDATQHV-CABCVRRESA-N 326.418 1.181 0 40 EDAB CN1[C@@H](COCC2CC2)CCC12CCN(S(=O)(=O)C1CC1)CC2 96208667 JYPBYLSGIRMASO-OAHLLOKOSA-N 342.505 1.834 0 40 EDAB O=C1NC2(CCN(C(=O)c3cscn3)CC2)C[C@H]1c1ccncc1 96069644 JCYIGIJDCXEBGI-ZDUSSCGKSA-N 342.424 1.817 0 40 EDAB Cc1ccc(-n2cc(C(=O)N[C@H]3CCc4nnc(C)n4C3)nn2)cc1 97198398 DZZMGZRIALURBR-ZDUSSCGKSA-N 337.387 1.220 0 40 EDAB O=C(Cc1c(F)cccc1Cl)N[C@H]1CCc2n[nH]c(=O)cc2C1 238815731 BKRLVEQLHWHJEP-JTQLQIEISA-N 335.766 1.779 0 40 EDAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)C1CCN(CC(N)=O)CC1 91550713 GZDFAORHKZAADR-KRWDZBQOSA-N 345.443 1.386 0 40 EDAB Cc1noc(C[C@H]2CO[C@@H]3CN(C(=O)Cc4cccc(F)c4)C[C@@H]32)n1 96216011 GHYSSPKTYVIHIL-NUEKZKHPSA-N 345.374 1.776 0 40 EDAB CN(C)C(=O)COC[C@@H]1CC2(CCN(Cc3ccco3)CC2)CO1 96206320 HZCRKGWNRPUQCT-INIZCTEOSA-N 336.432 1.756 0 40 EDAB COc1ccsc1C(=O)NCCCN(C(C)C)S(C)(=O)=O 95381557 QUMGFEWPIBVJJA-UHFFFAOYSA-N 334.463 1.547 0 40 EDAB Fc1cnc(N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3CC2)nc1 96249385 VZYJJESTLNYUTC-IRXDYDNUSA-N 343.406 1.881 0 40 EDAB Cc1cc(N2CCOCC2)nc(CNC(=O)CCc2ccccc2)n1 96120903 FJVCUPONMZJLGR-UHFFFAOYSA-N 340.427 1.871 0 40 EDAB CNC(=O)c1cc(O[C@@H]2CCCN(Cc3nnc(C)s3)C2)ccn1 583651036 FQGTXTSLUOEXOK-CYBMUJFWSA-N 347.444 1.645 0 40 EDAB O=S(=O)(NC[C@@H]1CCC2(CN(Cc3ccco3)C2)OC1)C1CC1 247292593 BIBMFEXBGNLJIP-ZDUSSCGKSA-N 340.445 1.342 0 40 EDAB Cc1nc([C@@]2(C)CCCN(C3CCOCC3)C2)nc2c1CC(=O)N2C 257311280 UITPSJBFCYURAY-IBGZPJMESA-N 344.459 1.836 0 40 EDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)CCc1nnc(C(C)C)o1 257331452 XSWUWGGDYZCSOK-GFCCVEGCSA-N 333.392 1.757 0 40 EDAB C[C@H]1Oc2cc(S(=O)(=O)N(C)Cc3ccco3)ccc2NC1=O 252497392 QFTWCCARRCMFRQ-SNVBAGLBSA-N 336.369 1.820 0 40 EDAB COCC(=O)N1CCC[C@](CCCc2cccnc2)(C(=O)N(C)C)C1 257275322 NOWCBMSVSRNRQI-IBGZPJMESA-N 347.459 1.748 0 40 EDAB CCc1cc(C(=O)N2C[C@H]3CC[C@@H](Nc4cnccn4)[C@H]3C2)on1 257308883 TYPJMKBFZXSQDA-KWCYVHTRSA-N 327.388 1.990 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)CCCn3cccn3)CCO2)ncn1 257263484 LQBUMVFYQMFQKB-KRWDZBQOSA-N 343.431 1.622 0 40 EDAB Cc1ncsc1C(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257246986 IWVYBEPZOIRMAH-INIZCTEOSA-N 332.429 1.608 0 40 EDAB Cc1nc(C)c(C(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)s1 257214421 CLXRCKYETNDPKY-ZDUSSCGKSA-N 348.428 1.729 0 40 EDAB C[C@@]1(O)CCN(C(=O)CCn2ccnc2)C[C@H]1Oc1ccccc1 257325409 WSUVDHGXVUQSKH-SJLPKXTDSA-N 329.400 1.704 0 40 EDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NCc2cccnc2)cn1 257223018 DVNNYSPTHCYWPZ-UHFFFAOYSA-N 349.394 1.833 0 40 EDAB CCS(=O)(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 253492727 QXSBPAQPDLAUOJ-KKUMJFAQSA-N 326.418 1.180 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)n1 257284932 PEXISIJFYNWMFH-OAHLLOKOSA-N 338.371 1.578 0 40 EDAB COCCC(=O)N1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 257333451 YBPPPLOCOFFMLV-CQSZACIVSA-N 343.387 1.552 0 40 EDAB CC(C)(C)NS(=O)(=O)C1(CNC[C@H](O)c2ccccc2)CC1 585117419 BZNBKUHJZAKCOI-AWEZNQCLSA-N 326.462 1.560 0 40 EDAB CON(C)C(=O)CSC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 585118672 XZKBWTAHANJHAA-AWEZNQCLSA-N 334.438 1.111 0 40 EDAB CC1(C)NC(=O)N(CC(=O)N2CCC[C@H]2CCc2ccncc2)C1=O 257301991 SAXHASJQKWCZCU-AWEZNQCLSA-N 344.415 1.336 0 40 EDAB O=C(CCN1CCOCC1)NCc1cnc([C@@H]2CCCCO2)nc1 257316354 VFEXMHNGRUNIJB-HNNXBMFYSA-N 334.420 1.057 0 40 EDAB CCOc1ccccc1CN1CCN(C(=O)CNC(=O)NC)[C@@H](C)C1 252492461 MNAJGEWDIRATJM-AWEZNQCLSA-N 348.447 1.047 0 40 EDAB O=C(COc1ccccc1Cl)N1CC[C@](O)(CN2CCCC2)C1 257227294 FOOQKZMAQPMLEF-KRWDZBQOSA-N 338.835 1.778 0 40 EDAB Cc1cncc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCCN3)C2)c1 252508255 XIGRBQWGUKAGMI-HOCLYGCPSA-N 330.432 1.110 0 40 EDAB COc1nscc1CN(C)C(=O)c1ccc(OCC(=O)O)cc1 1615616353 YYRROGGMJBQKPB-UHFFFAOYSA-N 336.369 1.887 0 40 EDAB O=C1[C@@H](N2C(=O)CN(C3CCCC3)C2=S)CCN1CC(F)(F)F 1616036106 NNFNTTCMCJKTPA-JTQLQIEISA-N 349.378 1.521 0 40 EDAB Cc1cc(C(=O)NC[C@H](O)CN2CCCC2=O)oc1Br 1615044521 FMWWKDPVEQHHNZ-VIFPVBQESA-N 345.193 1.064 0 40 EDAB CCN1CC[C@H](NC(=O)NCc2ccn(-c3ccc(F)cc3)n2)C1 1615036770 OHSMBEMTTAQWRR-HNNXBMFYSA-N 331.395 1.905 0 40 EDAB COC[C@]1(CC(N)=O)CN(C(=O)c2cc3cccc(F)c3[nH]2)CCO1 585278681 QLNNNQFCCRSRIQ-KRWDZBQOSA-N 349.362 1.040 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1cccn1C 585288212 RMURUBHXTAFCQM-KBXCAEBGSA-N 333.432 1.704 0 40 EDAB O=S1(=O)CC[C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 44457630 NIMWVFVCQVIEHN-GFCCVEGCSA-N 343.470 1.278 0 40 EDAB COc1cc(CNC(=O)CN(C)c2ncnc3[nH]cnc23)ccc1C 56192414 FSCADWNJTRSUAE-UHFFFAOYSA-N 340.387 1.423 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)C(=O)NCCc1nccn1C(F)F 69445395 LJBSRELXRHQIRB-LLVKDONJSA-N 348.353 1.915 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2cccnc2N2CCCCC2)CC1 69967227 GHKWVNVKLQOMTA-UHFFFAOYSA-N 346.475 1.601 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)N(Cc1nc3c(F)cccc3[nH]1)CC2 72661530 LACPQGVOZXWXHL-UHFFFAOYSA-N 346.387 1.912 0 40 EDAB O=C(c1cnccn1)N1CCC(n2nnc3ccccc3c2=O)CC1 12145864 RYGKRWLSRQEOBP-UHFFFAOYSA-N 336.355 1.059 0 40 EDAB Cn1ccnc1SCc1nnc2n(C)c(=O)c3ccccc3n12 12531355 VEUAWPGGYYVEPC-UHFFFAOYSA-N 326.385 1.607 0 40 EDAB Cc1c(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)cnn1C 13297688 UDJPUARGJLEZQC-UHFFFAOYSA-N 339.359 1.596 0 40 EDAB COCC(=O)NC1CCC2(CC1)CNC(=O)c1cc(C)ccc1O2 19219165 QWQJAFBHLSRXPV-UHFFFAOYSA-N 332.400 1.561 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)[nH]c(=O)c1F 19579390 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339.378 1.682 0 40 EDAB CNC(=O)[C@H]1CCc2ncc(CNC(=O)[C@H]3CC[C@H](C)CC3)n2C1 1565556738 SPJICPOHZNFEKP-IHRRRGAJSA-N 332.448 1.634 0 40 EDAB CC(C)OC[C@]12CCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1565541708 NVWJGZGWIBEOKJ-GDBMZVCRSA-N 347.477 1.244 0 40 EDAB CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc2ccccc12 4107546 FBOPYEBTQPJQJA-INIZCTEOSA-N 348.424 1.718 0 40 EDAB COC(=O)c1ccsc1NC(=O)CN1C(=O)c2ccccc2C1=O 4281369 YQSYLNHXCZGYAG-UHFFFAOYSA-N 344.348 1.769 0 40 EDAB CCOCCn1ccc2c(OCC(=O)NCCOC)cccc2c1=O 4584397 RERZRGNVQWBFGE-UHFFFAOYSA-N 348.399 1.179 0 40 EDAB Cc1ccc(C(=O)N2CCC(C(=O)N3CCC3)(n3cccn3)CC2)o1 2055772197 HBGGSNFPNMDCMZ-UHFFFAOYSA-N 342.399 1.648 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2scnc2C)CC1 2055747271 ROKSDHUOJJGBJB-UHFFFAOYSA-N 348.476 1.378 0 40 EDAB O=C(NCC1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccon1 23127428 MRBZGDGPLZIQNH-UHFFFAOYSA-N 342.399 1.642 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)Nc2cnc3cc(C)nn3c2)c1 206739183 RIPFTDGQVGRFBG-UHFFFAOYSA-N 348.384 1.856 0 40 EDAB O=S(=O)(c1ccccc1Cl)N1CCC(n2ccnn2)CC1 206940763 NBRVEURLTFZZDJ-UHFFFAOYSA-N 326.809 1.957 0 40 EDAB CC(C)c1nc(S(=O)(=O)N[C@H](Cn2ccnn2)C(C)C)cn1C 575617352 VTVLZQMPKQILQG-GFCCVEGCSA-N 340.453 1.138 0 40 EDAB COC(=O)c1ccccc1C(=O)N1CC[C@@H](Oc2cnccn2)C1 219910367 FSDBYGFAJBJABC-GFCCVEGCSA-N 327.340 1.557 0 40 EDAB COc1ccc(Br)c(C(=O)NCCn2nccn2)c1 238896730 RCQGUPOBJTXAQT-UHFFFAOYSA-N 325.166 1.479 0 40 EDAB COC(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccncn3)C2)cc1 575610712 NRENBOAEOBMWMG-AWEZNQCLSA-N 327.340 1.557 0 40 EDAB Cn1cc(-c2cncc(N3CCN(CC4CCOCC4)CC3)n2)cn1 2298181573 RPDJXSCRVQUBLT-UHFFFAOYSA-N 342.447 1.426 0 40 EDAB O=C(NCCc1cscn1)c1cn(Cc2cccc(F)c2)nn1 95412946 XZTMNWZPDOERBS-UHFFFAOYSA-N 331.376 1.895 0 40 EDAB Cn1c(=O)n(CCNC(=O)c2cccc(F)c2)c(=O)c2ccccc21 67631226 ROOXWRBWROIVAM-UHFFFAOYSA-N 341.342 1.269 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)Nc1nnc(C2CC2)s1 40466502 UJISKPDYNCUDTR-UHFFFAOYSA-N 327.369 1.764 0 40 EDAB Cc1nnc(NC(=O)NC[C@H](CN(C)C)[C@@H](O)c2ccccc2)s1 40526490 DXLJZGPZNRTRGZ-KGLIPLIRSA-N 349.460 1.879 0 40 EDAB C[C@@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)c1ccccn1 40549768 QEUDBGCWIPVXFH-LLVKDONJSA-N 347.806 1.853 0 40 EDAB O=C(NC[C@H](O)CN1CCCCC1)Nc1cccnc1N1CCCC1 40540874 YPRFBSNUAASIRH-HNNXBMFYSA-N 347.463 1.650 0 40 EDAB COC(=O)c1cnc(NC(=O)c2cn(-c3ccccc3)nn2)s1 31893711 NWNUSEXCNIXUAK-UHFFFAOYSA-N 329.341 1.763 0 40 EDAB CN(C)S(=O)(=O)c1cccc(Cn2nnc3ccccc3c2=O)c1 36771960 GSGSVPYOMAKNKZ-UHFFFAOYSA-N 344.396 1.090 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)Cn2c(=O)n(C)c3ccccc32)cn1 69625778 YVNUMDIPYGEMPB-CQSZACIVSA-N 339.399 1.437 0 40 EDAB O=C(CCc1ccccc1F)Nc1cnn(CCN2CCOCC2)c1 69664624 YPWAYPQIMQKEAV-UHFFFAOYSA-N 346.406 1.926 0 40 EDAB Cn1cc(CN2CCCN(C(=O)COCC(F)(F)F)CC2)cn1 69696600 IJZVXNVEZJJZBH-UHFFFAOYSA-N 334.342 1.033 0 40 EDAB CCOc1ncccc1CNC(=O)[C@H]1CCCN(c2cnccn2)C1 29957681 UWSRJYVXOZAQPO-HNNXBMFYSA-N 341.415 1.803 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCC(Nc2cccnn2)CC1 69655321 ADCAQVDEYBLDNV-UHFFFAOYSA-N 340.383 1.965 0 40 EDAB CC(=O)NC(=S)NCc1ccc(-c2nn3c(C)nnc3s2)cc1 9140548 ZZCBNTXUTXWGLL-UHFFFAOYSA-N 346.441 1.672 0 40 EDAB COCCn1nc(C(=O)N(C)CCOc2cccc(C)c2)ccc1=O 21963958 JOXJWVWBIMPSKX-UHFFFAOYSA-N 345.399 1.349 0 40 EDAB COc1ccc(Br)cc1COC(=O)C1=NNC(=O)CC1 8501495 ZBGIRJPGGSWDTE-UHFFFAOYSA-N 341.161 1.767 0 40 EDAB COc1cccc(CO[C@H](C)C(=O)N(C)Cc2nnc3n2CCC3)c1 46787678 ZXYBEQRJYMPVBM-CYBMUJFWSA-N 344.415 1.797 0 40 EDAB CN(C)C(=O)CN(C)C(=O)c1ccnc(OCc2ccccc2)c1 53006036 OXLYJXKTLFGWRP-UHFFFAOYSA-N 327.384 1.821 0 40 EDAB N[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 50241929 IPJMYLRGANZPBF-MRVPVSSYSA-N 339.642 1.824 0 40 EDAB O=C(CN1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1)NC1CC1 41980527 RBFMIEJYWYCGGI-UHFFFAOYSA-N 337.807 1.082 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N1CCN(Cc2ccc(C(C)C)cc2)CC1 22776355 IXOXQDANDBMORC-OAHLLOKOSA-N 346.475 1.772 0 40 EDAB COC(=O)CCNC(=O)c1cc(-c2cc(OC)ccc2OC)on1 61377102 DEZKVADZPHFUPD-UHFFFAOYSA-N 334.328 1.652 0 40 EDAB CCN(CC(=O)NC(C)(C)C)C(=O)Cn1ccc(C(F)(F)F)n1 42368471 KDYZZUNYUJZXGZ-UHFFFAOYSA-N 334.342 1.665 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)/N=c2\cc[nH]n2C(C)C)c1C 104334442 GMRRKVSKKBRFEX-DEDYPNTBSA-N 346.387 1.829 0 40 EDAB C[C@@H](C(=O)NCc1cccs1)N1CCN(c2cnccn2)CC1 42633097 WZCWVCKBXRKNIU-ZDUSSCGKSA-N 331.445 1.365 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1 25073379 HWQFBNBJPFVAGE-UHFFFAOYSA-N 341.411 1.980 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 106772126 FDDAMYORYPAENF-CHWSQXEVSA-N 341.477 1.488 0 40 EDAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 12521127 AYOGTZLCFCJMPO-UHFFFAOYSA-N 340.426 1.738 0 40 EDAB CO[C@@H](C)C(=O)N(C)C[C@H](Cc1ccccc1)NC(=O)[C@@H](C)OC 106913033 ZNYKSBVVTVLEJK-YCPHGPKFSA-N 336.432 1.242 0 40 EDAB CCCC(=O)NCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 12545102 CLHDWTZOXCCGPZ-UHFFFAOYSA-N 349.406 1.593 0 40 EDAB Cc1cnc(CN2CCC[C@H]([C@]3(C)NC(=O)N(C(C)C)C3=O)C2)cn1 107505676 MKZVPOPAHNQQEN-KSSFIOAISA-N 345.447 1.716 0 40 EDAB C[C@@H](OC(=O)COc1ccccc1)C(=O)Nc1ncnc2nc[nH]c12 26241762 LPJAZOWOYZHSBL-SNVBAGLBSA-N 341.327 1.302 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)NCCNc2ncccn2)cc1 57060780 LOPPZXIZRTZCSZ-VMPITWQZSA-N 325.372 1.078 0 40 EDAB Cc1nn(C)cc1-c1cc(C(F)F)n2nc(CCC(=O)O)nc2n1 22637972 BLTYPZBWRCVWIY-UHFFFAOYSA-N 336.302 1.788 0 40 EDAB Cc1ccc(C(=O)NC2CCN(C)CC2)cc1NS(C)(=O)=O 113942339 LYKGDBILDAZYGB-UHFFFAOYSA-N 325.434 1.191 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)c1C 27490335 UTJDRXNZFZBJHF-MRXNPFEDSA-N 349.412 1.444 0 40 EDAB CCCNC(=O)CN1CCC(NC(=O)c2cc(CC)ccc2O)CC1 58281943 XNHMGCRRCWIHIX-UHFFFAOYSA-N 347.459 1.675 0 40 EDAB O=C(CCN1CCSC1=O)Nc1ccc(N2CCOCC2)cn1 44906649 BVYJLMZCESFOFR-UHFFFAOYSA-N 336.417 1.416 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](CC)C2)cc1 44910716 KWTCYTLRSVIRFZ-ZDUSSCGKSA-N 327.402 1.663 0 40 EDAB NC(=O)[C@H](OC(=O)c1ccc(-n2cncn2)cc1)c1ccc(F)cc1 10373339 RSVQLCOOVJNLHF-OAHLLOKOSA-N 340.314 1.790 0 40 EDAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCC(=O)N1CCOCC1 58314556 RKWWPNBRPIPNOL-NSHDSACASA-N 342.342 1.097 0 40 EDAB CC1(C)CN(CC(=O)NCC2(c3ccccc3)CCOCC2)CCO1 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40 EDAB COc1ccc(OC)c(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)c1 4271920 DUTTZIICIMZHOW-PWSUYJOCSA-N 328.415 1.357 0 40 EDAB COc1ccccc1-c1cnc2n1C[C@@]1(CCN(S(C)(=O)=O)C1)C2 306141645 WCVKGILCQSOBBZ-KRWDZBQOSA-N 347.440 1.767 0 40 EDAB COC(=O)CNC(=O)c1ccn(-c2cccc(Br)c2)n1 69517520 YGJPPOUARUTIAT-UHFFFAOYSA-N 338.161 1.538 0 40 EDAB NC(=O)CN1CCCN(C(=O)CCOc2ccccc2Cl)CC1 69558104 QEHOMAACPPKSNM-UHFFFAOYSA-N 339.823 1.129 0 40 EDAB Cc1noc(CCNC(=O)Nc2cc(S(C)(=O)=O)ccc2C)n1 69561077 JMVXKGKQKZNKJK-UHFFFAOYSA-N 338.389 1.454 0 40 EDAB CCc1noc(C)c1C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 65489187 AFSCEZXFVUQEPK-UHFFFAOYSA-N 347.371 1.348 0 40 EDAB COc1ccccc1CCNC(=O)CN1CCn2c(nc(C)c2C)C1 65464670 NGRNHKDUQYPTOM-UHFFFAOYSA-N 342.443 1.683 0 40 EDAB CC(=O)NCc1ccc(C(=O)N(C)Cc2nnc3n2CCC3)cc1 65591363 AZKJVHABKRMWSH-UHFFFAOYSA-N 327.388 1.133 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)n1 65514765 OPYWTNDXPYRGMY-CVEARBPZSA-N 338.411 1.938 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)NCC(=O)Nc1ccc(F)cc1 65586252 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EDAB C[C@H](O)CN1CCC(CN(C)Cc2cn(-c3ccccc3)nn2)CC1 69968850 QMAWDKROGDZJJG-INIZCTEOSA-N 343.475 1.792 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)NCC2CCCCC2)C[C@H]1C 69952153 DQEUGBCVAZNVFZ-CVEARBPZSA-N 325.497 1.724 0 40 EDAB CN(C)S(=O)(=O)c1cccc(COc2ccc(C(N)=O)cc2)c1 14735795 HGGNDWCQSFHPJN-UHFFFAOYSA-N 334.397 1.615 0 40 EDAB CCN1C(=O)c2cccc3c(S(=O)(=O)NCC(=O)O)ccc1c23 8715466 BCEZWJMABZGYOS-UHFFFAOYSA-N 334.353 1.183 0 40 EDAB Cc1ccc(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1C(N)=O 67308722 HJZONEAQHMFZMU-CVEARBPZSA-N 325.368 1.874 0 40 EDAB CCOC(=O)c1c[nH]c2c(cnn2Cc2ccc(OC)cc2)c1=O 90159797 GICWVCFILQEIEG-UHFFFAOYSA-N 327.340 1.958 0 40 EDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(N)s1 7128510 ZIJNFBRUCUJMRF-MRVPVSSYSA-N 349.441 1.976 0 40 EDAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 7248523 OMCVNTUFSUHJDU-LBPRGKRZSA-N 347.458 1.283 0 40 EDAB CC(C)CNC(=O)NC(=O)CSc1nnc(NC2CC2)s1 7577589 LBMBOXYUEQEDGJ-UHFFFAOYSA-N 329.451 1.686 0 40 EDAB O=c1c2ccccc2nnn1CSc1nnc(NC2CC2)s1 7577415 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CCO[C@H]1C[C@@H](NC(=O)c2sccc2-n2cnnn2)C12CCC2 89985796 ZMXBRKKAUKEWIA-NEPJUHHUSA-N 333.417 1.801 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@@H]3CCOc4ccccc43)CCO2)n1 83829806 UKAFBHPOJVBUQK-UKRRQHHQSA-N 342.399 1.833 0 40 EDAB COc1ccc(S(=O)(=O)Nc2nc(C(N)=O)cs2)c(C)c1C 71913806 PNCZTJBOKUEJAS-UHFFFAOYSA-N 341.414 1.668 0 40 EDAB C[C@@H](CNS(=O)(=O)CCc1ccccc1)CN1CCOCC1 71915805 DSQFDRCSQIWRAY-HNNXBMFYSA-N 326.462 1.117 0 40 EDAB NC(=O)CCn1ccc(NC(=O)c2ccc(Br)o2)n1 71910442 QIHDFKAMSOFNFT-UHFFFAOYSA-N 327.138 1.366 0 40 EDAB CS(=O)(=O)CCC(=O)Nc1nccn1Cc1ccccc1Cl 72286328 AWNXIQKTKDGTLY-UHFFFAOYSA-N 341.820 1.958 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)ccc1N(C)C 72287737 ZKPCYMJFZULLLD-MRXNPFEDSA-N 332.448 1.456 0 40 EDAB C[C@@H]1CCCN(C(=O)CN[C@H](CS(C)(=O)=O)c2ccccc2)C1 97033660 CLFMVCQEXODMTI-GDBMZVCRSA-N 338.473 1.620 0 40 EDAB CN1CCN(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)C1=O 75604298 SBNFJVQMOQUWLC-UHFFFAOYSA-N 340.431 1.599 0 40 EDAB C[C@H](C(N)=O)N1CCN(c2ccnc(Cc3ccccc3)n2)CC1 97145048 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CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 95994511 YMARTQVIEKTQNR-ABAIWWIYSA-N 341.814 1.505 0 40 EDAB CCOC(=O)[C@H](C)CNS(=O)(=O)c1ccc2oc(=O)ccc2c1 79112612 LYPRVXYOKYBTCM-SNVBAGLBSA-N 339.369 1.271 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)c2c(F)cccc2OC)cc1 89442459 LPXNQDGVFYIDHL-UHFFFAOYSA-N 346.358 1.889 0 40 EDAB COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(N3CCNC3=O)CC2)cc1 89439051 OPRJNAZKPGKDSU-IRXDYDNUSA-N 343.427 1.815 0 40 EDAB CS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)CC2CCCC2)c1 89490212 OIPKVVIKDGBPAL-UHFFFAOYSA-N 345.442 1.475 0 40 EDAB O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccc(Br)c(F)c1 75093036 DPUKFEKCHJQZPJ-UHFFFAOYSA-N 343.156 1.362 0 40 EDAB CC1(C)Oc2ccc(NC(=O)N3CCN4C(=O)NC[C@@H]4C3)cc2O1 75107875 NVSCCJZQIGHYEI-LLVKDONJSA-N 332.360 1.435 0 40 EDAB COC(=O)c1ccc(CNC(=O)NC[C@H](O)COCC(C)C)cc1 32927881 DVKZIOWFXQZPKF-HNNXBMFYSA-N 338.404 1.306 0 40 EDAB COC(=O)c1cn(NC(=O)[C@H]2CCOC(C)(C)C2)cc2c(O)nnc1-2 524734901 UMTHKANKWTVURY-VIFPVBQESA-N 348.359 1.150 0 40 EDAB O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccc(=O)[nH]c1 38754908 OEZMTXSVONQSPW-UHFFFAOYSA-N 339.307 1.689 0 40 EDAB Cn1nc(C(=O)N[C@H](CO)C2CCCCC2)c(=O)c2ccccc21 536463022 DVERXEYESDBZJI-CQSZACIVSA-N 329.400 1.605 0 40 EDAB COCCn1cc(CC(=O)NCCN2CCOCC2)c2ccccc21 79501655 FXXSDENCHWVWME-UHFFFAOYSA-N 345.443 1.279 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)NCC[C@@H](O)c1ccco1 72243135 UIGGREOJJAYQGX-CQSZACIVSA-N 327.344 1.038 0 40 EDAB COCCN1CN(c2ccccc2OC)c2nc(C)c(C)c(=O)n2C1 38830053 XNDXRGDAUJENBP-UHFFFAOYSA-N 344.415 1.884 0 40 EDAB Cc1cc(COC(=O)c2ccc(N3CCCS3(=O)=O)cc2)on1 32860352 WDCQNOQJHLBCMF-UHFFFAOYSA-N 336.369 1.880 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCC(=O)NCCCCN1CCN(C)CC1 79043676 ARVNKEOSQYVCQQ-SJORKVTESA-N 325.497 1.726 0 40 EDAB Cc1cc(N2CCOCC2)nc2sc3c(NCCN)ncnc3c12 71281951 FJHKJMJYJSJINH-UHFFFAOYSA-N 344.444 1.755 0 40 EDAB Cc1nc(CCC(N)=O)cc([C@@H]2CCCN2Cc2cn(C)nc2C)n1 72367180 BVQLSLKVNQNDHP-KRWDZBQOSA-N 342.447 1.582 0 40 EDAB CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226859781 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0 40 EDAB Cn1cc(C(=O)N2CC3(C[C@@H](Oc4cccnc4)CCO3)C2)cn1 248150549 TWOZUFNTIKMVSA-AWEZNQCLSA-N 328.372 1.268 0 40 EDAB C[C@]1(c2ncc(CNC(=O)CCn3ccnc3)cn2)CCCCO1 257237675 HHOLZRJLQVGYMZ-QGZVFWFLSA-N 329.404 1.795 0 40 EDAB CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)c1cc(O)ccc1Cl 585088354 XLQHOFQDSPIXAV-LBPRGKRZSA-N 344.820 1.904 0 40 EDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)c1cn2c(C)cccc2n1 257264317 LTWHXEFAKMJOSI-CQSZACIVSA-N 325.372 1.888 0 40 EDAB CCO[C@H]1C[C@@H](N(C)C(=O)c2ccnc3c(C(=O)O)cnn23)C1(C)C 585134121 FGIWUASXBITYRN-OLZOCXBDSA-N 346.387 1.703 0 40 EDAB O=C(CSC[C@H]1CCCCO1)N1CCS(=O)(=O)C[C@@H]1C1CC1 585110566 HLZAZIYVAFMQMY-ZIAGYGMSSA-N 347.502 1.324 0 40 EDAB C[C@H](CC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)N1CCCC1=O 585121221 ITHMGORVMHCLJQ-UKRRQHHQSA-N 335.448 1.152 0 40 EDAB Cc1ccccc1CN1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 257285869 PJGPNROPQHPTFA-IRXDYDNUSA-N 338.473 1.356 0 40 EDAB CNC(=O)c1cccc([C@H]2CNCCN2Cc2scnc2C)c1 257251796 JSGXFMDEVUSZDX-OAHLLOKOSA-N 330.457 1.958 0 40 EDAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(N)CN)cc1 252515085 GYOCTJNJWBUSNI-SQNIBIBYSA-N 330.453 1.845 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2cccc(N(C)C)c2)CCN1C(C)C 257341775 ZLXPSOLVHAGCDZ-MRXNPFEDSA-N 332.448 1.033 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCc1ccc(C(=O)O)cc1 267294760 AUZDDFUJPUHJJH-UHFFFAOYSA-N 337.401 1.256 0 40 EDAB COc1ncc(NS(=O)(=O)c2ccc(OC)c(C)c2)c(OC)n1 96098727 YEIQSPZSLKSHBB-UHFFFAOYSA-N 339.373 1.612 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1C 575420815 DXIZRQXFPTVXSR-CQSZACIVSA-N 331.459 1.467 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CN(CCc2ccccc2)Cc2ccnn21 585112309 OIIJGXZBHPCUSF-QGZVFWFLSA-N 348.472 1.422 0 40 EDAB Cn1cc(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)cn1 585268990 GSKJRXDSTVSJPX-KRWDZBQOSA-N 335.379 1.202 0 40 EDAB Cc1cc(CN2Cc3ncn(C)c3C[C@H]2COc2ccccn2)n[nH]1 585094917 UHQZTXCTIIGPLQ-HNNXBMFYSA-N 338.415 1.853 0 40 EDAB CCN(Cc1ccc(F)c(F)c1)Cc1nc2c(cnn2C)c(=O)[nH]1 52830691 WIPMCGNJKLROLM-UHFFFAOYSA-N 333.342 1.957 0 40 EDAB 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0 40 EDAB C[C@@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)C1CC1 23040429 NBZCKMRHUAWOFO-CYBMUJFWSA-N 327.384 1.851 0 40 EDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccnc(-n2cncn2)c1 54675595 SDKUJJZSSRVBIS-KRWDZBQOSA-N 348.410 1.667 0 40 EDAB CCN1CCN(C(=O)c2nnc3sc(-c4ccccc4)nn23)CC1 57354688 AUDKOJIMLVJJQK-UHFFFAOYSA-N 342.428 1.631 0 40 EDAB COc1ccccc1CC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 47635849 GNUONGBVKUMFIW-IRXDYDNUSA-N 348.443 1.091 0 40 EDAB c1nc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c2sccc2n1 24204560 BFPKRPHIJQQFBT-TZMCWYRMSA-N 334.445 1.841 0 40 EDAB O=C(NCCN1CCCCCC1=O)c1cccnc1N1CCCC1 42923351 RARCKRGMWCTIRS-UHFFFAOYSA-N 330.432 1.814 0 40 EDAB CCn1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cn1 24577239 PSMZUPXXWHYXLO-UHFFFAOYSA-N 334.401 1.831 0 40 EDAB CN(CC(N)=O)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 47628811 VETAVOAUBLCOQF-UHFFFAOYSA-N 343.431 1.525 0 40 EDAB C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)C[C@@H](C)O1 25765387 DPEWOLCAXXDJNA-CHWSQXEVSA-N 325.434 1.480 0 40 EDAB O=C(C[C@H](C(=O)O)N1CCNCC1)Nc1cccc(Cl)c1Cl 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EDAB C[C@H](NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[C@H]1CCCO1 58393628 YGSZIGCEQFCPMM-XJKSGUPXSA-N 329.400 1.849 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1ccnc(-n2ccnc2C)c1 58402120 PDQBFLUSYPMJTG-UHFFFAOYSA-N 339.447 1.973 0 40 EDAB O=C(CN1CCC[C@H](O)C1)Nc1ccccc1C(=O)NC1CCCC1 58748402 MZVNYBJRTRORFM-HNNXBMFYSA-N 345.443 1.754 0 40 EDAB Cc1cccnc1NC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 45537758 WSTVOSSXCLALLO-CABCVRRESA-N 334.420 1.249 0 40 EDAB CN1CC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 7782844 WJAMTVKXYBPJJV-UHFFFAOYSA-N 330.388 1.509 0 40 EDAB CCc1nc(C)c(C(C)=O)c(S[C@H](C)C(=O)N2CCOCC2)n1 12767628 ZMMQHXKSBIRWIZ-GFCCVEGCSA-N 337.445 1.889 0 40 EDAB NC(=O)CN1CCC(NC(=O)NCc2cc3ccccc3o2)CC1 48277284 WCDFZAOGORLSQH-UHFFFAOYSA-N 330.388 1.182 0 40 EDAB CC(C)(C)NC(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 48300414 MTBUKKKLSVAYKN-UHFFFAOYSA-N 348.472 1.883 0 40 EDAB CN1CCN(c2ccc(CNC(=O)Nc3ccncc3)cn2)CC1 48308621 IHWQHWZXSPXQFX-UHFFFAOYSA-N 326.404 1.550 0 40 EDAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N2CCNC2=O)o1 12897298 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CN1CCN(C(=O)[C@@H]2CCCN2c2ncnc3sccc23)CC1 71826805 KWJPCWDNWYYGOJ-ZDUSSCGKSA-N 331.445 1.434 0 40 EDAB CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)nn1 71889023 ODZHIIJPLUHHIY-CQSZACIVSA-N 332.404 1.635 0 40 EDAB CN(Cc1cnn(C)c1)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O 71817264 XTHFJKIJTQFRQT-UHFFFAOYSA-N 341.337 1.963 0 40 EDAB O=C(NCc1ccc(-n2ccnc2)nc1)N[C@H]1c2ccccc2C[C@H]1O 71862753 XWGNXKHBYYSQGP-AEFFLSMTSA-N 349.394 1.725 0 40 EDAB O=C1c2ccccc2C(=O)N1CCN1CCC[C@@H]1[C@H](O)C(F)(F)F 71897115 UQGPXLBUCWQDMT-OLZOCXBDSA-N 342.317 1.670 0 40 EDAB CS(=O)(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 71924512 CSPVNVMBEQKVIL-UHFFFAOYSA-N 340.426 1.537 0 40 EDAB CC(C)OCCS(=O)(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 97014019 HOBQEZKKQAQKMJ-GFCCVEGCSA-N 330.454 1.581 0 40 EDAB C[C@@H](CNC(=O)N1CCS(=O)(=O)C[C@H]1C)Sc1ccccc1 75805091 VJMICBPPWMBTHD-OLZOCXBDSA-N 342.486 1.996 0 40 EDAB Cc1noc(CCCNC(=O)c2nn(-c3ccccc3)cc2O)n1 76083360 RLIVVNFPTHYZML-UHFFFAOYSA-N 327.344 1.632 0 40 EDAB CNS(=O)(=O)CCCN1CCCN(Cc2ccccc2)C[C@H]1C 77371319 BHNJVVULMOMXOV-MRXNPFEDSA-N 339.505 1.522 0 40 EDAB O=C(CCN1CCN(c2ccccc2)CC1)N1CCc2n[nH]cc2C1 72864984 PXJUDEYTQBSXNW-UHFFFAOYSA-N 339.443 1.507 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCC(CN2CCOCC2)CC1 95367866 MGZYPGIYPUEPOQ-UHFFFAOYSA-N 346.427 1.529 0 40 EDAB CCN1CCC(NC(=O)CN2CCc3c(nc(C4CC4)n3C)C2)CC1 84789047 IIQQUCQLWULOFP-UHFFFAOYSA-N 345.491 1.256 0 40 EDAB C[C@@H]1CN=C(N2CCN(CC(=O)N(C)Cc3ccco3)CC2)S1 84715267 GWMCGFALQWGYKQ-CYBMUJFWSA-N 336.461 1.347 0 40 EDAB CC[C@@H]1CN(C(=O)Cc2noc3ccccc23)C[C@@H]1N1CCOCC1 84735891 ZFBFRPTWBZILSD-PBHICJAKSA-N 343.427 1.940 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)c1cnn(Cc2ccccc2)c1 95440201 VHBYHFCTWPBPKV-PBHICJAKSA-N 328.416 1.439 0 40 EDAB CCc1nc(CN2CCN(C(=O)Nc3cnn(C)c3)CC2)cs1 98024729 PHULXYMSSRXTNT-UHFFFAOYSA-N 334.449 1.789 0 40 EDAB Cc1nc(Cn2ccnc2CCN2C(=O)c3ccccc3C2=O)no1 78815304 KVGHNFUUJQJYRY-UHFFFAOYSA-N 337.339 1.462 0 40 EDAB NC(=O)c1nccnc1C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 73846500 LEHPHDILUMKHDP-GFCCVEGCSA-N 328.347 1.419 0 40 EDAB COc1coc(CN2CCN(C(=O)c3ccccc3)CC2)cc1=O 79065562 NPTOUHKCYPGOIR-UHFFFAOYSA-N 328.368 1.606 0 40 EDAB O=C(C[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 85482904 GWGMUSDXAHDTDD-LSDHHAIUSA-N 335.425 1.685 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1 95965388 BLIRDUKADJTSMI-OAHLLOKOSA-N 327.384 1.843 0 40 EDAB COc1ccc(OC)c([C@H](O)CNc2ncnc3nccnc23)c1 95973304 CHCNLXPQFXISKQ-GFCCVEGCSA-N 327.344 1.583 0 40 EDAB CN(Cc1ncnn1C)S(=O)(=O)Cc1cc(Cl)ccc1F 89741164 GZPOPNWMVQIPRG-UHFFFAOYSA-N 332.788 1.569 0 40 EDAB COc1ccc(CCNC(=O)N2CCC[C@H](c3nncn3C)C2)cc1 89761893 XHLZZGLAZCETBH-HNNXBMFYSA-N 343.431 1.955 0 40 EDAB O=C(NCc1nc(C2CC2)no1)N1CCC[C@H](CN2CCOCC2)C1 69933930 NTAKFRMOTXVXCC-CYBMUJFWSA-N 349.435 1.201 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)[C@@H](CC(C)C)NC(N)=O)CC1 25056691 OZWPOEINHKGWMI-QGZVFWFLSA-N 346.475 1.722 0 40 EDAB C[C@@H]1Cc2c(NC(=O)COc3ccccc3F)nn(C)c2NC1=O 35597733 KGVNHQZYQSQWPC-SECBINFHSA-N 332.335 1.707 0 40 EDAB Cc1nccc(N2CCN(C(=O)c3ccc(NC4CC4)nc3)CC2)n1 546815952 MJUBBVQASBHOHI-UHFFFAOYSA-N 338.415 1.717 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)C2(CN)CN)cc1 218455310 NXXLAGDSIPPKEW-DLBZAZTESA-N 348.443 1.978 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)o1 78661527 IWTOHBRGCKWPKN-UHFFFAOYSA-N 325.317 1.957 0 40 EDAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(C(=O)CN)C3)n2)n1 72382964 UTMQPCORJFHKHM-CQSZACIVSA-N 340.431 1.897 0 40 EDAB O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccccc1F 64871389 GQAVKRIJQWSHQY-UHFFFAOYSA-N 337.314 1.822 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1nn(C)c(=O)c2ccccc12 75148986 UFHMQVGRRVENEQ-UHFFFAOYSA-N 348.384 1.017 0 40 EDAB CN(C)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2cccs2)cc1 75155933 YSEKHYBWAZOJRH-QGZVFWFLSA-N 347.440 1.777 0 40 EDAB Cn1nc(CNC(=O)c2ccc(Br)o2)c2c1CCOC2 96104000 URCAOMCORXRXSJ-UHFFFAOYSA-N 340.177 1.778 0 40 EDAB Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CCS(=O)(=O)N(C)C)C1 96487384 KBCDQUAYDIULIS-CABCVRRESA-N 338.473 1.981 0 40 EDAB CC1(C)OB(c2cnc3n[nH]c(NC(=O)C4CC4)c3c2)OC1(C)C 230527131 SDGDMFBNUDZHKJ-UHFFFAOYSA-N 328.181 1.606 0 40 EDAB CCn1cc2c(n1)CN(S(=O)(=O)N(C)C)C[C@H]2COCC1CC1 96045251 HLZSRVORBQRUMR-ZDUSSCGKSA-N 342.465 1.035 0 40 EDAB CN(C[C@H](O)Cn1cccn1)[C@H]1CCCN(c2ccccc2)C1=O 248059642 YUWHDRPPDSYFGO-IRXDYDNUSA-N 328.416 1.371 0 40 EDAB CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(C3CCCCC3)CCN21 253395213 BRJGIASNLUVTRY-HNNXBMFYSA-N 329.510 1.359 0 40 EDAB biogenic,in-vitro Oc1nc2ccccc2cc1CN1CCC[C@@](O)(c2cnn[nH]2)C1 583617405 GYFKQJBTWNZNAT-KRWDZBQOSA-N 325.372 1.542 0 40 EDAB CCn1cc(S(=O)(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cn1 583650669 PNUAYKMWOUEKBG-HZPDHXFCSA-N 346.456 1.312 0 40 EDAB COCCC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O 257206936 BFNUHVYFKULOHI-WBVHZDCISA-N 346.427 1.254 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCNC[C@@H]2c2ccccc2)c1C 257263711 LRCZAZZEXYIVMN-OAHLLOKOSA-N 334.445 1.547 0 40 EDAB Cn1nccc1CN1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 257276516 NUBUHAGYIWGCET-SFHVURJKSA-N 336.399 1.846 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CCCN2Cc2ccc(F)cn2)n1 257302265 SCFFTYJFIJHMJZ-MRXNPFEDSA-N 329.379 1.984 0 40 EDAB O=S(=O)(Cc1ccccc1)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257271922 NAJKGDOKLMUXLO-BRWVUGGUSA-N 338.473 1.484 0 40 EDAB Cc1c[nH]c([C@H]2CCCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 257280951 ONBDWWXAGFHHFO-ZDUSSCGKSA-N 326.466 1.322 0 40 EDAB O=C(NC[C@@]1(O)CCN(c2ccccn2)C1)c1cnc(C2CC2)nc1 257289532 PZAQBJFAYITXSQ-SFHVURJKSA-N 339.399 1.120 0 40 EDAB Cc1nn(C)cc1CCC(=O)NCc1ccnc([C@H]2CCCOC2)n1 257307683 SZUSTHGLSGYGLE-HNNXBMFYSA-N 343.431 1.662 0 40 EDAB Cc1nccn1CC(=O)N1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 257260413 LCSYONXKDRVARG-IRXDYDNUSA-N 347.390 1.762 0 40 EDAB CC(C)Oc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]cn3)C2)c1 257337624 YTPJCBANDJLJRG-IAGOWNOFSA-N 344.415 1.172 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)c3cc4c(nc3O)CCC4)CCO2)n1 257262795 LMYMILOCMMRJSR-OAHLLOKOSA-N 342.399 1.532 0 40 EDAB CCc1nccn1-c1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cn1 257222846 DUWSFYSDOJITMP-CYBMUJFWSA-N 348.428 1.089 0 40 EDAB COc1cc(C(=O)NCc2ccc(OCC(F)(F)F)nn2)sn1 585131069 KJPRYXLBIHXZCB-UHFFFAOYSA-N 348.306 1.813 0 40 EDAB C[C@H](C(=O)O)N(C(=O)C[C@@H](c1nccn1C)C(F)(F)F)C1CC1 585134949 QCSIJKNSKJDZGW-SCZZXKLOSA-N 333.310 1.920 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C 264046844 DHGFTEFIRWOSBC-SECBINFHSA-N 348.852 1.930 0 40 EDAB CC[C@H](CNC(=O)[C@H]1Cc2cncn2C(=O)N1)Oc1cccc(C)c1 1615547368 SZJZLLVHGLTVPR-GDBMZVCRSA-N 342.399 1.648 0 40 EDAB CCn1nc(C(=O)N2CCc3c(ncn3C)C2)c(=O)c2ccccc21 605270076 SIQISVOBIMOALM-UHFFFAOYSA-N 337.383 1.348 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575402986 HITUFQSYFVFENL-CQSZACIVSA-N 342.486 1.898 0 40 EDAB CC(C)CCC(=O)N1CC2(C[C@@H](OCC(=O)N(C)C)CCO2)C1 575404454 CNCVYEDWEQUFAT-AWEZNQCLSA-N 326.437 1.287 0 40 EDAB CNC(=O)C[C@]1(OC)COCCN(C(=O)c2cccc(Cl)c2)C1 585281059 SCWXQZFYLDZHQM-MRXNPFEDSA-N 340.807 1.334 0 40 EDAB CO[C@]1(COc2cccc(F)c2)CCN(C(=O)Cc2cnc[nH]2)C1 585277167 MQKLKIDKKZKJRV-QGZVFWFLSA-N 333.363 1.788 0 40 EDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccccc1C)[C@H]2C 585096868 DUYAWELFFQHLCH-LBPRGKRZSA-N 336.417 1.498 0 40 EDAB Cc1nc(C)c(CC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c(=O)[nH]1 53746777 MGIBJBZYQMRBMR-UHFFFAOYSA-N 342.277 1.275 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C1 53894804 DYVSAOAVBMGEII-LBPRGKRZSA-N 336.823 1.285 0 40 EDAB COCCN(CC(=O)OC)CC(=O)N(Cc1ccccc1)C(C)C 69892444 OMUZXHRIBVQGKZ-UHFFFAOYSA-N 336.432 1.545 0 40 EDAB COC(=O)CNC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 69897825 QMBLIUCTKNMDEC-UHFFFAOYSA-N 347.392 1.563 0 40 EDAB CN(C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C1C[C@@H]2CC[C@H](C1)N2C 1609273294 CEXQRCWZENSDPF-FCLJQHQZSA-N 342.447 1.457 0 40 EDAB CN(CC1CCC1)c1nnnn1Cc1ccc(CS(C)(=O)=O)cc1 1616036164 HPYHGNIJDDYWIJ-UHFFFAOYSA-N 349.460 1.502 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCc1cc(N2CCOCC2)nc(NC2CC2)n1 19495877 QBSNBZHUYZBAHB-IUODEOHRSA-N 345.447 1.202 0 40 EDAB O=C([C@@H]1CC=CCC1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206906934 MSZAZANSCMWMSO-CQSZACIVSA-N 339.403 1.062 0 40 EDAB CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NC[C@H]1CCCO1 14033743 YUJMRIUQIMJXCN-NWDGAFQWSA-N 337.445 1.699 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCC[C@H](Oc3ncccn3)C2)CC1 575607032 WWBNCOLHRFQXED-HNNXBMFYSA-N 332.404 1.105 0 40 EDAB NC(=O)c1ccc(NC(=O)COC(=O)COc2ccccc2F)cc1 5860975 ARRVOHZXWMUOFE-UHFFFAOYSA-N 346.314 1.485 0 40 EDAB CCOc1ccccc1-c1noc(CN(C)CC(=O)NC2CC2)n1 9975664 OMXXEUREIHTUOJ-UHFFFAOYSA-N 330.388 1.846 0 40 EDAB Cc1ccnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)n1 1888842882 VVVJBKFNEVPYCQ-UHFFFAOYSA-N 340.431 1.796 0 40 EDAB COc1cc(N2CCN(c3cc(C)nc(C4CC4)n3)CC2=O)ccn1 1888864449 UDOILGUCSVKRDF-UHFFFAOYSA-N 339.399 1.919 0 40 EDAB CCOC(=O)C1=C(CN2CCO[C@H](c3ccccc3)C2)NC(=O)NC1 29534670 DCVYAVMTTUSDHY-INIZCTEOSA-N 345.399 1.190 0 40 EDAB O=C1Cc2cc(S(=O)(=O)N(CCO)c3ccccc3)ccc2N1 32591779 JQTYCJSSJSMWIG-UHFFFAOYSA-N 332.381 1.369 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3S)cn2)CCO1 36390651 PTKWGVLJNAHDAH-LBPRGKRZSA-N 344.440 1.920 0 40 EDAB COc1ccc(C(=O)N2C[C@@H]3OCCN(c4ccccn4)[C@H]3C2)cn1 2056223355 HMNARSZDYQXAEX-GJZGRUSLSA-N 340.383 1.215 0 40 EDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H]1COC2(CCCC2)O1 5352356 HHRXLPKMDQZHKU-CQSZACIVSA-N 336.363 1.244 0 40 EDAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2nccs2)N(C)C)cc1 10332002 GMLRMXYVFDTTIP-CYBMUJFWSA-N 332.429 1.809 0 40 EDAB CCc1cnc2c(c1NCc1ccc(F)cc1)c(=O)n(C)c(=O)n2C 12227019 LWNWPCXKXJCFSF-UHFFFAOYSA-N 342.374 1.946 0 40 EDAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(C)cc2)cc1 17052295 IGWZNLLTCURWTL-UHFFFAOYSA-N 343.412 1.758 0 40 EDAB Cc1nc([C@H]2C[C@H]3CCN(C(=O)c4cc(C5CC5)on4)C[C@H]3O2)n[nH]1 2055771826 CDXAIMJLDGZCTQ-KCPJHIHWSA-N 343.387 1.971 0 40 EDAB O=C([C@H]1CN(Cc2ccccn2)CCO1)N1CCC(F)(F)CC1 2086884521 FBFYNJFDMWZKQO-CQSZACIVSA-N 325.359 1.540 0 40 EDAB CCc1nnc2ccc(N3C[C@@H]4CN(c5cnccn5)C[C@@H]4C3)nn12 2086865934 BZKIZJQUUHWZNZ-BETUJISGSA-N 336.403 1.049 0 40 EDAB Cc1ncn(CC(=O)Nc2cnn(C[C@H]3CCCCO3)c2)c(=O)c1C 390828176 PHOMRFFYYAZMSD-OAHLLOKOSA-N 345.403 1.264 0 40 EDAB COc1ccccc1NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 36382477 QQLFWCJFFZDURI-MRXNPFEDSA-N 339.395 1.546 0 40 EDAB Cc1c(C(=O)NS(C)(=O)=O)cnn1-c1ccc(C(F)(F)F)cn1 40543987 NTTCNLPOQNTIHH-UHFFFAOYSA-N 348.306 1.284 0 40 EDAB CCCn1nc(C(=O)NCc2cccnc2-n2cccn2)ccc1=O 36764243 AOQVHZCKVMKNRW-UHFFFAOYSA-N 338.371 1.164 0 40 EDAB COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cc1 90596 SSLDMNORZOIZGF-INIZCTEOSA-N 347.392 1.895 0 40 EDAB COc1ccc(C(=O)NC[C@@H](O)COc2ccccc2OC)cc1 307794 VOODAQHZCPMAOU-CQSZACIVSA-N 331.368 1.874 0 40 EDAB Cc1ccsc1CNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 69699193 NIQPUSZSHZKSQP-UHFFFAOYSA-N 345.490 1.622 0 40 EDAB COC(=O)c1ccc(OCC(=O)NC2CC2)c(Br)c1 29347028 XSWLURMFVNYVGC-UHFFFAOYSA-N 328.162 1.893 0 40 EDAB CCCN1CCc2c(sc3c2c(NC[C@@H](C)O)nc2nnnn23)C1 20519139 ZOHGIAHRYQXDAV-SECBINFHSA-N 347.448 1.295 0 40 EDAB O=C1C[C@H]2[C@@H](N3CCCC3)CC[C@H](N1Cc1ccccc1)C2(O)O 1636850 SINUNCSWWDINOL-ULQDDVLXSA-N 330.428 1.343 0 40 EDAB Cc1c(Cl)cccc1NC(=O)CNS(=O)(=O)c1cn(C)cn1 78743039 WGWNQOLVSIDWJM-UHFFFAOYSA-N 342.808 1.299 0 40 EDAB C[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 4086257 ZYKIRSKDFLPXJW-UGQGEIBHSA-N 334.397 1.624 0 40 EDAB biogenic O=C(C1CC1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 20723837 NIRITENQSAGMAW-HNNXBMFYSA-N 341.411 1.120 0 40 EDAB CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(F)c2)n[nH]1 21096459 HOYQZBJZJBNOGP-UHFFFAOYSA-N 327.337 1.835 0 40 EDAB CN(C)C(=O)c1cccc(NC(=O)c2n[nH]c(=O)c3ccccc23)c1 21137872 HITBHAYMZPXICA-UHFFFAOYSA-N 336.351 1.877 0 40 EDAB S=c1c2nc[nH]c2ncn1CCSC1=NC=NC2=NC=N[C@@H]21 6585257 CQGCYOVRVCDJGX-ZETCQYMHSA-N 330.402 1.471 0 40 EDAB C[C@@H](CNC(=O)Nc1cccc(S(C)(=O)=O)c1)Cn1cccn1 52461699 SAMBDWIIOFSMNN-LBPRGKRZSA-N 336.417 1.744 0 40 EDAB Cc1nc(CN2C[C@H](C(=O)NCc3ccco3)[C@H]3OCC[C@H]32)c[nH]1 108530676 DPOYRPWCCQYVKY-ARFHVFGLSA-N 330.388 1.217 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)n1 78892872 CPGYMJODHOLZQH-KGLIPLIRSA-N 329.404 1.528 0 40 EDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 32917476 BLNDZPZPIGJZCQ-MRVPVSSYSA-N 327.387 1.177 0 40 EDAB O=C(NCCN1CCOCC1)c1ccc(N2CCCCC2=O)cc1 52893636 YYCHZMDKRIRWAU-UHFFFAOYSA-N 331.416 1.266 0 40 EDAB O=C(/C=c1/[nH]c(=O)/c(=C/c2ccccc2Cl)s1)c1ccncc1 103018457 AMUWYEVFWUENQY-VULZFCBJSA-N 342.807 1.977 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2)n2ncnc2N1C 20674196 ZBAQVWBUKYXIKA-INIZCTEOSA-N 339.399 1.450 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)NC2CC(C)(C)NC(C)(C)C2)CC1 42196617 IUIHUYWHAXPMMJ-UHFFFAOYSA-N 338.496 1.805 0 40 EDAB O=C(NC1(C(=O)NCC2CC2)CCCC1)c1cn2cccnc2n1 89884871 IJRNQVGQFWGWBC-UHFFFAOYSA-N 327.388 1.298 0 40 EDAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCSCC(N)=O 23082529 RRKLEVGBNIZWGD-UHFFFAOYSA-N 346.456 1.498 0 40 EDAB Cn1c(=O)n(CCC(=O)NCCc2ccc(O)cc2)c2ccccc21 54632066 ZOYQKLBCMFBNEF-UHFFFAOYSA-N 339.395 1.795 0 40 EDAB Cc1ccc2nc(COc3ccccc3C(=O)OCC(N)=O)cn2c1 47480515 SCBJYTZDRVVSAL-UHFFFAOYSA-N 339.351 1.864 0 40 EDAB O=C(C1CC1)N1CCC(NCc2c[nH]nc2-c2cccnc2)CC1 42959198 XLPQXMYQBBFJIA-UHFFFAOYSA-N 325.416 1.962 0 40 EDAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(F)cc1 101846328 SQJYBAIWOXUXJB-XJIUQZFPSA-N 338.331 1.212 0 40 EDAB O=C1c2ccccc2C(=O)N1CCON1C(=O)c2ccccc2C1=O 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40 EDAB CCOc1ccc([C@H](C)NC(=O)C2=NN(C)C(=O)CC2)cc1OC 44915921 VLWZMAJRDSZXOX-NSHDSACASA-N 333.388 1.879 0 40 EDAB O=C(COC(=O)COc1ccc(Cl)cc1)NC(=O)c1ccco1 10390968 CFGDOTUSBRKFOK-UHFFFAOYSA-N 337.715 1.812 0 40 EDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO[C@H]1CCCCO1 58416154 MVMVNRMWHJLXNR-IRXDYDNUSA-N 345.399 1.790 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)c2ccc[nH]c2=O)CC1 28204325 DVUHDILEJYLDAT-UHFFFAOYSA-N 327.384 1.736 0 40 EDAB O=C(NCCc1ccc(Cl)s1)NCc1nnc2n1CCC2 45386400 FQBXYIYLFDBLMD-UHFFFAOYSA-N 325.825 1.981 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)CCc2c[nH]c3ccccc23)CC1 45319912 FKPIBGBAYLMBFU-UHFFFAOYSA-N 349.456 1.594 0 40 EDAB COc1ccc(C2(C(=O)Nc3cnn(CC(N)=O)c3)CCCC2)cc1 58808008 GUBGGRGVZPDNTK-UHFFFAOYSA-N 342.399 1.828 0 40 EDAB CCONC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 12736446 MKUYEJUNVFCCFI-SECBINFHSA-N 327.178 1.870 0 40 EDAB CCOC(=O)[C@H]1CSCCN1CN1C(=O)c2ccccc2C1=O 12740032 NAAOOOCWZHQKPR-CYBMUJFWSA-N 334.397 1.221 0 40 EDAB C[C@H](CN1CCN(C)CC1)NC(=O)c1cc(Cl)c2c(c1)OCO2 69770829 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1.550 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 65396414 KNAROEKFBIAZPA-LBPRGKRZSA-N 335.429 1.569 0 40 EDAB Cc1nn(C)c(Cl)c1CNCc1cccnc1N1CCN(C)CC1 65465651 HDQDGKMWTJOBHL-UHFFFAOYSA-N 348.882 1.819 0 40 EDAB COc1ccc(N(CCC(N)=O)C(=O)COc2ccccc2)cc1 14021926 MFZRKFIPLZTNGU-UHFFFAOYSA-N 328.368 1.983 0 40 EDAB C[C@@H](NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1ccccn1 65562420 MTKXNUQLALRJTH-GFCCVEGCSA-N 338.367 1.731 0 40 EDAB COc1ccc(Br)cc1CNC[C@H]1CN(C)CCO1 65611227 OCMKDTZJAPWDLY-ZDUSSCGKSA-N 329.238 1.878 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)COc1ccc(NC(C)=O)cc1 14244593 AYRLZHPNXNOFIJ-UHFFFAOYSA-N 335.404 1.397 0 40 EDAB COCCCN1C(=O)C[C@H](C(=O)O)[C@@H]1c1cccc2c1OCCCO2 69558577 WZSWXRRYVLSEFU-BBRMVZONSA-N 349.383 1.859 0 40 EDAB in-vitro O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCN(CCO)CC1 75604506 OLGFWYAIVUJWOU-AWEZNQCLSA-N 330.350 1.859 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C1 69919615 VCGPEDWFBVQLJA-CVEARBPZSA-N 344.459 1.868 0 40 EDAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4942313 LWDAHNBEEPVMJF-ZMNIPVBYSA-N 343.379 1.928 0 40 EDAB COc1ccccc1Nc1nc(N)nc(CSc2nnnn2C)n1 8746844 XOBCJMVHVQYNRW-UHFFFAOYSA-N 345.392 1.022 0 40 EDAB O=S(=O)(Cc1ccc(F)cc1F)NCCOc1cccnc1 96001965 RGDCLJGIWVIABT-UHFFFAOYSA-N 328.340 1.858 0 40 EDAB COCCn1cc2c(n1)[C@@H](NS(=O)(=O)c1ccccc1)CCC2 96002775 LUJWMLJNLLXGRC-HNNXBMFYSA-N 335.429 1.885 0 40 EDAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1n[nH]c(=O)c2ccccc12 79248771 YUJYOFIJOZHRIT-GFCCVEGCSA-N 339.355 1.551 0 40 EDAB CC1(C)CC(NC(=O)Cc2n[nH]c(=O)c3ccccc23)CC(C)(C)N1 9304103 KNZLVAZJHJDQHT-UHFFFAOYSA-N 342.443 1.891 0 40 EDAB C[C@H](SCc1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 9479615 UNOUSUFOAYTZIA-GWCFXTLKSA-N 331.434 1.751 0 40 EDAB CNC(=O)Cn1cnc(NC(=O)CCCc2cc(C)sc2C)n1 84081892 PZKYWNVOWDCEFP-UHFFFAOYSA-N 335.433 1.664 0 40 EDAB Cc1ccc(-c2ccnc(NCCc3c[nH]c(=O)[nH]c3=O)n2)c(C)n1 71750499 DHJINXBWDCDPEU-UHFFFAOYSA-N 338.371 1.187 0 40 EDAB O[C@@H](COCc1ccccc1F)CN1CCC(c2nc[nH]n2)CC1 83690950 OAFCQBJEIPHGEL-OAHLLOKOSA-N 334.395 1.701 0 40 EDAB CN1N=C(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CCC1=O 71820010 HHXSVGXSFUAYLY-AWEZNQCLSA-N 335.791 1.848 0 40 EDAB CN(C)CCN(CC1CCCCC1)S(=O)(=O)c1cnn(C)c1 71921581 SCQSYTFVCDJTMO-UHFFFAOYSA-N 328.482 1.553 0 40 EDAB O=C(N[C@H](c1nnn(C[C@@H]2CCCO2)n1)C1CC1)c1ccccc1 71910997 JAMVURJUVMCFEK-GJZGRUSLSA-N 327.388 1.733 0 40 EDAB CC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1 9614102 LAFQAGUEJOQRKW-UHFFFAOYSA-N 346.364 1.820 0 40 EDAB O=C1NCCCC[C@@H]1N1CCN(C(=O)Cc2ccccc2Cl)CC1 72297832 GXRDXRQQQGSOPW-INIZCTEOSA-N 349.862 1.695 0 40 EDAB CS(=O)(=O)NCCCN1CCC[C@H]1c1nnc2n1CCCCC2 72291802 LFKXYNINMKBBJA-ZDUSSCGKSA-N 341.481 1.081 0 40 EDAB CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc3c(c1)OCCO3)CC2 97199070 NCCGESZROXMNKH-ZDUSSCGKSA-N 342.399 1.918 0 40 EDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccnn2C)cc1OC 84303656 ZUNLJPCTEIOLFZ-NSHDSACASA-N 333.344 1.383 0 40 EDAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1F 28328320 UXUUFRSSOPKRMQ-INIZCTEOSA-N 329.375 1.764 0 40 EDAB CCCc1noc([C@H](C)N2CCN(CCn3ccccc3=O)CC2)n1 95360767 RXRIDEJUZYSKSO-HNNXBMFYSA-N 345.447 1.563 0 40 EDAB Cc1ccc(Br)c(S(=O)(=O)NCc2cnn(C)c2)c1 95451685 AVBAXWNKNLHCGM-UHFFFAOYSA-N 344.234 1.970 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)N[C@H](C)C[C@H](O)c1ccco1 95413394 GXZYHIITYMYYDT-ABAIWWIYSA-N 334.420 1.984 0 40 EDAB CC(=O)N1CCN(Cc2nc3ccc(Cl)cc3n2CCO)CC1 95571006 ZVLNEMNGGANIME-UHFFFAOYSA-N 336.823 1.346 0 40 EDAB CN(C)CCN1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)CC1=O 74166667 WJJFNAGJFCGVMO-SNVBAGLBSA-N 327.787 1.828 0 40 EDAB NC(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC2(CCCCC2)C1 95962462 VLLCPUONYBUHFM-HNNXBMFYSA-N 336.480 1.692 0 40 EDAB O=C(NCCN1CCOCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30944385 MULNNUVPURLOIM-KRWDZBQOSA-N 349.450 1.486 0 40 EDAB CCC[C@@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC)cc1 408588915 DCKYNYQPWSWMGP-NEPJUHHUSA-N 328.434 1.667 0 40 EDAB Cc1cc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)nn1C 72264676 LVZNDDGWJBVQGY-QGZVFWFLSA-N 328.416 1.220 0 40 EDAB O=C(O)c1nccnc1C(=O)Nc1nnc(-c2ccc(O)cc2)s1 71285349 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CCc1ccc(CN2C[C@@H](C)[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)o1 96201702 XMQVDGSNULWONQ-AUUYWEPGSA-N 347.459 1.601 0 40 EDAB CCOC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2c1cnn2C 96044613 JEBDFVZDPXVYPP-CYBMUJFWSA-N 343.383 1.925 0 40 EDAB CC(C)C[C@H]1COCCN1C(=O)NC[C@H](c1cnn(C)c1)N(C)C 96410724 DLMCNSAZAHISCB-JKSUJKDBSA-N 337.468 1.479 0 40 EDAB C[C@H]1CN=C(N2CCN(Cc3nc(-c4ccco4)no3)CC2)S1 96449193 ZCNVLVHKJLNVSN-NSHDSACASA-N 333.417 1.939 0 40 EDAB COC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)c1ccccc1)C2 96039048 JZQVADSDBHEHDG-HOTGVXAUSA-N 325.430 1.893 0 40 EDAB COCCN(CCOC)C(=O)c1ccn(-c2ccc3ccccn23)n1 96038050 VNPGIPZUUBGMJK-UHFFFAOYSA-N 342.399 1.860 0 40 EDAB Cn1cc(CN2CCO[C@@]3(CCCN(c4ccccn4)C3)C2)cn1 96226365 VJSSJSVDZQVWDW-SFHVURJKSA-N 327.432 1.687 0 40 EDAB O=C(COCCc1ccccc1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 583620381 BXJYICQZBNFIIJ-RCCFBDPRSA-N 333.428 1.634 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Cc2cc[nH]n2)cc1 583616201 UHZOAFAMYMNKOJ-SJLPKXTDSA-N 329.400 1.860 0 40 EDAB Cc1occc1C(=O)N1CC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 96050535 XPIPQZOXCOVXQX-KRWDZBQOSA-N 328.372 1.591 0 40 EDAB Cc1nnc(NC(=O)c2ccc(OCc3nnnn3C)cc2)s1 96101286 JNGKFMZZQCPZJF-UHFFFAOYSA-N 331.361 1.201 0 40 EDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)CCc3ccccc3)[C@@H]2C1 96209880 VLOPBHJVTSOGBT-OTWHNJEPSA-N 346.471 1.813 0 40 EDAB O=c1ccc2c(n1CCn1cccn1)CC[C@@H](NC1CCOCC1)C2 96189803 VGBKXFBQRODEHM-QGZVFWFLSA-N 342.443 1.371 0 40 EDAB c1ccc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3COc2ncccn2)nc1 96250003 GQGQZMXRLXLLMC-HYVNUMGLSA-N 326.400 1.930 0 40 EDAB CN1CCN(C[C@H]2OC[C@@H]3CCN(C(=O)c4ccco4)C[C@H]23)CC1 96056261 GUOWBVKMCAMEHV-YQQAZPJKSA-N 333.432 1.004 0 40 EDAB Cc1ccc([C@H]2[C@H](C(=O)N3CCSCC3)OCC(=O)N2C)cc1 96181582 ZHKTUFRANGEOQL-JKSUJKDBSA-N 334.441 1.469 0 40 EDAB CN(C)C(=O)Cn1cc2c(n1)[C@H](CNCc1cccs1)OCC2 96059726 YFRCSAOJTDKCQF-AWEZNQCLSA-N 334.445 1.436 0 40 EDAB O=C(c1ccc(F)cc1)[C@H]1CCCN(CCC(=O)N2CCOCC2)C1 96414969 UUOAAITVINAGJF-INIZCTEOSA-N 348.418 1.969 0 40 EDAB O=S1(=O)CC[C@@H](COCc2ccccn2)C12CN(C1CCC1)C2 247307258 HJUXEMRMTNBESG-AWEZNQCLSA-N 336.457 1.640 0 40 EDAB COCCN(C)Cc1cc(=O)n2cc(Br)ccc2n1 49236868 QGKABUBTHTYHSM-UHFFFAOYSA-N 326.194 1.535 0 40 EDAB Cc1cc(CN2Cc3ccnn3[C@H](CC(=O)N3CCCCO3)C2)no1 247954501 ZPNIOPNPOAQLAP-MRXNPFEDSA-N 345.403 1.681 0 40 EDAB Cc1oc2c(c1C(=O)N1CC[C@](O)(CN3CCOCC3)C1)CCCC2 257307525 SZBSDCMCLKRAMI-IBGZPJMESA-N 348.443 1.376 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 257268923 MNURMLAQJDCOEA-HNNXBMFYSA-N 329.404 1.403 0 40 EDAB Cn1cc(-c2cnc(C[C@@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1 257345009 ZZOMOWCCGLJMGN-LBPRGKRZSA-N 335.433 1.091 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccnc(Cc2ccccc2F)c1 257301157 RXFGUZCNKOZWDT-AWEZNQCLSA-N 348.399 1.728 0 40 EDAB Cc1cnn(CC(=O)NCc2cnc(C)nc2[C@@H]2CCCN2C)c1 257332078 XVQXVFVILANIMZ-HNNXBMFYSA-N 328.420 1.373 0 40 EDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccnc(C)n1 257310161 UDXWBQRHZJVFNU-JXSMBQFASA-N 328.416 1.789 0 40 EDAB Cc1cc(-c2nccn2C)nc([C@H]2CCN(C(=O)CN(C)C)C2)n1 257313149 URFFCUKJGRBEQH-ZDUSSCGKSA-N 328.420 1.063 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)n1 257200395 ADCGOMLQHLRRRV-INIZCTEOSA-N 329.404 1.360 0 40 EDAB CCOCn1nc(C)c(CC(=O)N[C@H](C)[C@H](C)C(=O)OCC)c1C 585089561 WZNWVNZUCFWPHD-NWDGAFQWSA-N 339.436 1.740 0 40 EDAB CC(=O)NCc1cnc(CC2CCN(c3ccnc(C)n3)CC2)cn1 257324755 WQANIXGRGIQVTI-UHFFFAOYSA-N 340.431 1.670 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1)C(=O)NCCF 252497478 QJBFVSKLPWSYSZ-YNEHKIRRSA-N 325.388 1.140 0 40 EDAB Cc1cc(C)cc(OS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)c1 585115709 PQKFPGCHJJDOAI-CYBMUJFWSA-N 347.458 1.294 0 40 EDAB CC1(C)C[C@H](O)CCN(C(=O)CCC(C)(C)N2CCOCC2)C1 585132151 PFGRGMOQUMVHQJ-OAHLLOKOSA-N 326.481 1.887 0 40 EDAB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc(F)cc2)c1 343105213 HLUMOBYCVBINNC-UHFFFAOYSA-N 345.330 1.528 0 40 EDAB COc1ncc(CN2CCN(C(C)=O)C[C@H]2c2ccccc2)cn1 257232057 GJGJQORIFPIGCG-KRWDZBQOSA-N 326.400 1.891 0 40 EDAB CCOc1cc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)ncn1 253406891 VFCNETRMYGEDRC-UHFFFAOYSA-N 335.389 1.594 0 40 EDAB CCc1nnc(C)cc1C(=O)N1C[C@@H](COC)[C@H](c2cnn(C)c2)C1 585655631 ONJVDPWQHBYSQP-HOCLYGCPSA-N 343.431 1.583 0 40 EDAB Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)n1 257311270 UITAFHZIASAVHD-CQSZACIVSA-N 338.415 1.879 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O)c1ccc2[nH]cnc2c1 257225903 FIHRCOYHALVPDJ-FVQBIDKESA-N 325.372 1.644 0 40 EDAB CC(C)(CN1CCOCC1)NC(=O)c1ccnc(-c2cncnc2)c1 257310792 UGPJNLWVXUTQPZ-UHFFFAOYSA-N 341.415 1.379 0 40 EDAB O=c1nc(O)ccn1[C@H]1CCN(CCOc2ccccc2)CC[C@@H]1O 257305702 SRCKFFSERZOFHO-HOTGVXAUSA-N 345.399 1.026 0 40 EDAB Cc1cnc(C(=O)N2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)cn1 257332244 XWJSOJZMMMGRGA-IJEWVQPXSA-N 338.415 1.562 0 40 EDAB COCCN1C(=O)CO[C@H]2CN(Cc3ccc4ncccc4c3)C[C@@H]21 257231806 GIHAHGDBWWQFAH-ROUUACIJSA-N 341.411 1.293 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@H](CCc2cc(C)ncn2)C1 257243715 IIFRYNNZAKMFCZ-CYBMUJFWSA-N 347.444 1.673 0 40 EDAB COCC(=O)NC1CN(C(=O)Nc2cccc(-n3cccc3)c2)C1 284962510 WLNGVBJEBZBETQ-UHFFFAOYSA-N 328.372 1.456 0 40 EDAB COc1cccc(N2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)c1 604419385 HAVHMKRNLFCULF-UHFFFAOYSA-N 343.383 1.355 0 40 EDAB O=C(Nc1cccc(OC(F)F)c1)c1ccc(-n2cncn2)nn1 96097891 CNJJMDNZGRIQTB-UHFFFAOYSA-N 332.270 1.911 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575404817 VICLRRHUEIXCPM-CQSZACIVSA-N 342.486 1.898 0 40 EDAB Cc1nc(C(=O)N2C[C@@H]3C[C@@H](CC(=O)N4CCC4)O[C@@H]3C2)cs1 585109454 QTPPRTVNGPKQOL-SGMGOOAPSA-N 335.429 1.303 0 40 EDAB CO[C@]1(CC(=O)N2CCc3ccccc32)COCCN(C(C)=O)C1 585280407 HVZDZSKHLZKJIG-SFHVURJKSA-N 332.400 1.230 0 40 EDAB Cc1ccccc1OC[C@@]1(O)COCCN(Cc2cnccn2)C1 585275543 GCGNNXGTQVRQHG-SFHVURJKSA-N 329.400 1.427 0 40 EDAB Cc1ccccc1CC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 47635327 CCZYGQNYYIUUKT-ROUUACIJSA-N 332.444 1.391 0 40 EDAB Cc1noc(CCNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)n1 63987573 LVTPNLBHTWOHEU-AWEZNQCLSA-N 344.371 1.468 0 40 EDAB Fc1c(-c2ccccc2)ncnc1N1CCN(Cc2nnco2)CC1 1775971718 UBAMKHAGUGGQQA-UHFFFAOYSA-N 340.362 1.988 0 40 EDAB CC(C)CC(=O)N1CCN2CC(=O)Nc3ccccc3OC[C@H]2C1 1772594796 VZTSMEHXPPXVBC-CQSZACIVSA-N 331.416 1.576 0 40 EDAB Cc1cc2occ(CC(=O)OCC(=O)N3CCNC3=O)c2cc1C 5627987 YVHLDQBMZVFTPF-UHFFFAOYSA-N 330.340 1.687 0 40 EDAB Cc1nc2cc(-c3nccn3C)nn2c(N2CCC[C@H](O)C2)c1C 12087623 ZGAOQKMAKNKUNE-ZDUSSCGKSA-N 326.404 1.708 0 40 EDAB CS(=O)(=O)c1cncnc1[C@@H]1CCCN(C(=O)N2CCCC2)C1 12128312 DAMIRBPALXLBLV-GFCCVEGCSA-N 338.433 1.275 0 40 EDAB Cc1cc2cc3c(cc2n2c(=O)n(CC(=O)NC(C)C)nc12)OCO3 12181983 UHFAOPMNCFEINV-UHFFFAOYSA-N 342.355 1.211 0 40 EDAB O=C(Nc1nc[nH]n1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 12321814 RDZVWUSUWCHMKN-MRVPVSSYSA-N 339.277 1.815 0 40 EDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(Cl)c1 12855111 HOYJAFUNXWWTLA-ZDUSSCGKSA-N 330.837 1.075 0 40 EDAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc(F)c2)n1 13960290 LDBBFCAQELALIQ-XRGAULLZSA-N 341.342 1.737 0 40 EDAB O=C1c2ccccc2C(=O)N1CCn1nnc(-c2cccc(F)c2)n1 13985509 SXBOXTWDFGRGRG-UHFFFAOYSA-N 337.314 1.775 0 40 EDAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3cc(C)no3)CC2)cc1 14122498 BVBOCMGDXMAEPQ-UHFFFAOYSA-N 342.399 1.688 0 40 EDAB COc1ncc(C(=O)N2CCC[C@H]2c2nc(C(C)C)cc(=O)[nH]2)cn1 19452585 IJRCKTZTBLPDCY-ZDUSSCGKSA-N 343.387 1.669 0 40 EDAB C[C@H]1CN(c2nccc(CN3CCN4CCC[C@@H]4C3)n2)C[C@@H](C)O1 19497716 VXDSJMYLSONGSN-HLLBOEOZSA-N 331.464 1.370 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 19526761 ARKAASZAGPCBAD-NXEZDXNNSA-N 344.411 1.582 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 384485 ZQWBYSNIIXFYHB-UHFFFAOYSA-N 337.445 1.517 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)C1CN(c2cc(-n3ccnc3)ncn2)C1 575604696 CYWQGEPBCFEUGU-ZFWWWQNUSA-N 340.431 1.793 0 40 EDAB Cc1cc(N2CCCC2)nc(N2CCN(c3cnccn3)CC2)n1 1889077233 QLVGXJOEDUPDPT-UHFFFAOYSA-N 325.420 1.502 0 40 EDAB O=C(NC1CCOCC1)N1CC(Cn2cc(Br)cn2)C1 1889118426 LYWGLWQIJRYOLT-UHFFFAOYSA-N 343.225 1.466 0 40 EDAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCNC(=O)C1 33224997 VRZHLFBLCOKIRB-MRVPVSSYSA-N 345.168 1.314 0 40 EDAB CC(C)[C@@H](Cn1nccn1)NC(=O)c1ccc(Cn2ccnc2)cc1 238880271 PBOXQOORDUAUHI-QGZVFWFLSA-N 338.415 1.978 0 40 EDAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(C(=O)c3nccs3)[C@@H]2CN1 2037984746 MJOJYRVKBWREMX-UMVBOHGHSA-N 343.408 1.266 0 40 EDAB CC(C)N(C)[C@@H]1CN(C(=O)CCc2cncnc2)C[C@@H]2CCCO[C@@H]21 1565542196 IFCSRFBLWYJKLN-SCTDSRPQSA-N 346.475 1.755 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C)c1ccc(C)cc12 530644 WAYKJRMBQMQIAH-OAHLLOKOSA-N 332.385 1.127 0 40 EDAB CCc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1 4941450 DYLJPEPDXWFZJQ-HNNXBMFYSA-N 332.400 1.989 0 40 EDAB O=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc2c(c1)OCO2 9571003 VDXNEVCOPHVGEF-UHFFFAOYSA-N 341.302 1.460 0 40 EDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)Cc2ccccc2)CC1 2055772762 AAUSVRFQAVGLRY-UHFFFAOYSA-N 340.427 1.532 0 40 EDAB Cc1cc(N)n(-c2nc(O)c3cnn(-c4ccc(F)cc4)c3n2)n1 26421852 YEFWKRKMKKVJLF-UHFFFAOYSA-N 325.307 1.737 0 40 EDAB COc1ccc(S(=O)(=O)N(CC2CC2)C(C)C)cc1C(N)=O 30371763 CYSNLKVYXPDQHE-UHFFFAOYSA-N 326.418 1.603 0 40 EDAB O=C(CSc1nnnn1Cc1ccccc1)Nc1nccs1 30967426 ZCRLURRMCAVCSE-UHFFFAOYSA-N 332.414 1.909 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1 40488188 PDKMOXWQEMHISO-UHFFFAOYSA-N 345.852 1.039 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccc(F)cc2)on1 40498746 NASJRXVEVRESPJ-LLVKDONJSA-N 340.376 1.914 0 40 EDAB COCCNC(=O)[C@H](C)S(=O)(=O)Cc1ccc(F)cc1Cl 40496777 RVPCHZODQFXWPJ-VIFPVBQESA-N 337.800 1.545 0 40 EDAB NC(=O)COc1ccccc1C(=O)OCC(=O)c1cc(F)ccc1F 31685072 MLAVKOKJKXWENU-UHFFFAOYSA-N 349.289 1.869 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)NCc1ccc(N2CCOCC2)nc1 40539840 ASNPCOCYEFKSBL-UHFFFAOYSA-N 330.392 1.580 0 40 EDAB CC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccc(N)cc3)n2)c1 413948 OOWBGDOTYYAGCA-UHFFFAOYSA-N 336.355 1.764 0 40 EDAB COC(=O)c1nnn(CC(=O)Nc2ccc(C)cc2C)c1C(=O)OC 423081 PSPBZBJNKFVCCD-UHFFFAOYSA-N 346.343 1.107 0 40 EDAB CCN1CCN(C2CCN([C@H](C)C(=O)Nc3ncccn3)CC2)C1=O 69600105 HZSKLTMBWYAJRI-CYBMUJFWSA-N 346.435 1.026 0 40 EDAB Cc1cc(C(=O)N2CCCC[C@@H]2CC(N)=O)c2c(C)nn(C)c2n1 69325496 YCQNRZXAXDBFEI-GFCCVEGCSA-N 329.404 1.455 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)ccc1-n1cnnn1 4216437 XUWOEJBGWJFZQK-SCRDCRAPSA-N 333.417 1.438 0 40 EDAB COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4649781 ATCJCEAMUVLFLX-GHJWDPDVSA-N 336.775 1.997 0 40 EDAB CNC(=O)NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 6056534 JRJIJOBPWJGOPV-SSDOTTSWSA-N 349.170 1.760 0 40 EDAB Cc1nc(COc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)no1 21334634 FQSFUDGTGBVQNI-UHFFFAOYSA-N 344.371 1.295 0 40 EDAB CC(=O)N[C@H](C)CCc1ccc(C(=O)CSc2nnnn2C)cc1 32778340 OELVMCRBRZDENP-LLVKDONJSA-N 347.444 1.642 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NCc3ccc(-n4ccnc4)nc3)cc12 33044005 FOJQLJSVNLZAME-UHFFFAOYSA-N 347.382 1.787 0 40 EDAB COCCNC(=O)CSc1nnc2n1CCN2c1ccccc1 9651487 DCNYHADVHRTCEI-UHFFFAOYSA-N 333.417 1.285 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108526433 ZITMPRVRMQSJCV-GJZGRUSLSA-N 346.431 1.465 0 40 EDAB COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 22624364 OKUACHMQSBCIIQ-CYBMUJFWSA-N 340.445 1.626 0 40 EDAB CCOc1ccc(CN(C)[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cc1 42297087 YNYIYYONWFXKMX-HOCLYGCPSA-N 347.459 1.630 0 40 EDAB CN(C)c1nc2c(cc1C(=O)O)CCN(C(=O)c1ccc[nH]1)CC2 104834596 YKNVCXMPEUMQLR-UHFFFAOYSA-N 328.372 1.415 0 40 EDAB Cn1ccnc1COc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1 54021256 BNXKREPZPVWSHS-LBPRGKRZSA-N 349.412 1.372 0 40 EDAB O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1 23131624 YDQRWVWMTBETHX-UHFFFAOYSA-N 346.836 1.161 0 40 EDAB Cn1cc(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cn1 23795847 PJKQXEPYTBGZMJ-UHFFFAOYSA-N 332.791 1.672 0 40 EDAB COc1ccc(C(=O)NCC(=O)Nc2cccnc2OC)cc1OC 47553967 LLKKTFCSEMNALL-UHFFFAOYSA-N 345.355 1.476 0 40 EDAB CN(C)c1ncccc1CNS(=O)(=O)N(C)C1CCCCC1 42994742 BADCNWRHMVPJQV-UHFFFAOYSA-N 326.466 1.747 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCCCn2ccnc2C)c1 47668952 ZYXLCGNTWBOHRU-UHFFFAOYSA-N 339.417 1.577 0 40 EDAB C[C@@H]1CN(CCNC(=O)N[C@H]2CCOc3ccccc32)C[C@@H](C)O1 106084995 MJZNUOOTFBCIDH-FMKPAKJESA-N 333.432 1.919 0 40 EDAB CCc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)s1 55243099 HRTUHKSDIROEIV-NSHDSACASA-N 349.499 1.651 0 40 EDAB COC(=O)C[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)C(=O)OC 24829498 IUMDCOJQVOUFKE-AAEUAGOBSA-N 339.413 1.697 0 40 EDAB COc1ccccc1CC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24675774 ZQLJVSMVBRDYDV-CQSZACIVSA-N 340.445 1.168 0 40 EDAB CCN1C(=O)C[C@@H](N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1=O 12550842 MNAZTOOFFVMJIP-MRXNPFEDSA-N 347.390 1.298 0 40 EDAB O=C(c1cc(Br)ccc1Cl)N1CCN(CCO)CC1 35106984 YLGJMZWSBJGNFP-UHFFFAOYSA-N 347.640 1.853 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)c1cnc(SC)n1-c1ccccc1 26013282 DPHZSBYMERPAQG-LLVKDONJSA-N 332.429 1.849 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N=c1[nH]c2ccccc2[nH]1 12532313 BXBFJXAIVMBOIG-GHMZBOCLSA-N 326.356 1.099 0 40 EDAB O=C(CNC(=O)[C@@H]1CCCN1Cc1ccccc1)NCC(F)(F)F 57175408 LCCAQQFBOUXFQU-ZDUSSCGKSA-N 343.349 1.446 0 40 EDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1cccc(F)c1 101568027 VWSSGGXGLTVPHH-VWPFQQQWSA-N 338.331 1.212 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)N1CCO[C@H](C)C1 57888904 DPXIWCSCNUZSGS-GFCCVEGCSA-N 326.418 1.058 0 40 EDAB Cn1c(NC(=O)COc2ccc(-n3cnnn3)cc2)nc2ccccc21 28233686 JYMVWQDFOKRKPK-UHFFFAOYSA-N 349.354 1.567 0 40 EDAB CCOc1ccc(S(=O)(=O)CC(=O)NC[C@@H]2CCCO2)cc1 44947554 GNXKCAAPVHRVEJ-ZDUSSCGKSA-N 327.402 1.154 0 40 EDAB Cc1nc(CCNC(=O)NCCN2C[C@H](C)O[C@H](C)C2)cs1 44953653 ZJNMDMVLIAYYEJ-TXEJJXNPSA-N 326.466 1.402 0 40 EDAB CC[C@@H]1CN(C(=O)CSc2nnnn2-c2ccc(C)cc2)CCO1 58356136 NXIWAZUHJMTJQQ-CQSZACIVSA-N 347.444 1.700 0 40 EDAB CC(C)(CNC(=O)CCn1cncn1)N1CCc2ccccc2C1 45455579 MYQYAPXJFXPMNU-UHFFFAOYSA-N 327.432 1.621 0 40 EDAB NC(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 3316634 LGSALTWQUNSASE-UHFFFAOYSA-N 328.324 1.237 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)n(C)c1 12785985 VRHGSRPPPIKJKX-UHFFFAOYSA-N 345.783 1.978 0 40 EDAB CCOc1ncccc1C(=O)OCC(=O)Nc1sccc1C(N)=O 3490940 ASTOZBDDQQDZLG-UHFFFAOYSA-N 349.368 1.436 0 40 EDAB Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)on2)cc1 3498582 MXFCNVGQADJJLH-UHFFFAOYSA-N 330.373 1.998 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2F)cc1 12928271 CPGYWVPNOXOFRE-UHFFFAOYSA-N 336.388 1.842 0 40 EDAB CS(=O)(=O)c1ccccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 69570785 YHHLYAITZKPMQF-GOEBONIOSA-N 346.408 1.870 0 40 EDAB COC(=O)[C@@H](CCSC)NC(=O)Nc1ccc2c(c1)OCCO2 6145265 GSJCNHMQGXSDTL-LLVKDONJSA-N 340.401 1.874 0 40 EDAB biogenic O=C(CCCn1nnc2ccccc2c1=O)N=c1[nH]c2ccccc2[nH]1 5207416 YMXYQNUQJUFIGZ-UHFFFAOYSA-N 348.366 1.509 0 40 EDAB COc1cccc(CNC(=O)COCC(=O)Nc2ccccc2)c1 13942169 KQCBWPGCILSLKP-UHFFFAOYSA-N 328.368 1.967 0 40 EDAB CCN1CCN(C2CCN(c3nn4cc(C)nc4s3)CC2)C1=O 69873283 VLCFORJYWBYIOZ-UHFFFAOYSA-N 334.449 1.826 0 40 EDAB C[C@H]1CN(CC(=O)NCC2CC2)CCN1C[C@H](O)c1ccccc1 69847543 FXPAUEOVLLVLRN-YJBOKZPZSA-N 331.460 1.252 0 40 EDAB Cc1noc(CN2CCN(CC[S@](=O)c3ccccc3)CC2)n1 69808448 RUHFDJUXPHVXPB-HSZRJFAPSA-N 334.445 1.303 0 40 EDAB COC(=O)c1ccc(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)cc1 65518749 NJQWAIMHRBGFIE-UHFFFAOYSA-N 342.417 1.154 0 40 EDAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cnccn2)cc1 6486082 OQCTZXRMXODLKV-JTQLQIEISA-N 328.328 1.619 0 40 EDAB C[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)N1CCOCC1 24681857 HPKMNWKCVBFIKD-AWEZNQCLSA-N 340.489 1.983 0 40 EDAB COc1cccc([C@@H](CNC(=O)C2=NNC(=O)CC2)N2CCCC2)c1 65608294 CYSZVDSVXGUAPL-MRXNPFEDSA-N 344.415 1.214 0 40 EDAB CN1CCO[C@@H](CNCc2csc(-c3ccc4c(c3)OCO4)n2)C1 65625591 PNSHYOBYNRVHDG-AWEZNQCLSA-N 347.440 1.959 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)c2ccc3nccnc3c2)C[C@@H](C)O1 5422159 QTUBWRPYHSYAGY-TXEJJXNPSA-N 329.356 1.422 0 40 EDAB CCCCn1c(N)c(N(C)C(=O)c2ccc(C)s2)c(=O)[nH]c1=O 14656289 QFNSWQZSKPUQSA-UHFFFAOYSA-N 336.417 1.565 0 40 EDAB CCN(C[C@H]1CCOC1)S(=O)(=O)c1cccc(C(=O)OC)c1C 66576688 KRJJYOAKSFYESH-CYBMUJFWSA-N 341.429 1.829 0 40 EDAB O=C1CC(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CC(=O)N1 67043355 IRZRRZLQTLCXAW-UHFFFAOYSA-N 349.350 1.412 0 40 EDAB O=C(C1CCC1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 16179520 VJLGVKNNFNKIRJ-UHFFFAOYSA-N 332.429 1.200 0 40 EDAB O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cccc2cn[nH]c12 96010898 OCYVZMKHZBNWQT-HNNXBMFYSA-N 335.367 1.883 0 40 EDAB Nc1c(N2CCN(Cc3cccs3)CC2)ncnc1-n1cccn1 89800012 XETJSDXPYILQRB-UHFFFAOYSA-N 341.444 1.628 0 40 EDAB CCOc1nnc(CN2CCN(c3nccc(OC)n3)CC2)s1 71828198 NWRZRWTZJOXPBZ-UHFFFAOYSA-N 336.421 1.058 0 40 EDAB O=C(NCCOc1ccc(F)c(F)c1)c1ccc(-c2nnn[nH]2)cc1 71883364 UPPUFUYJMHPSJE-UHFFFAOYSA-N 345.309 1.954 0 40 EDAB C[C@@H](C(=O)Nc1cc(C(N)=O)n(C)c1)N1CCc2ccccc2C1 71897848 FAORVKWUSITQGS-LBPRGKRZSA-N 326.400 1.509 0 40 EDAB CN(c1cccnn1)C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 71863501 RKDNGRLJPLRDEO-UHFFFAOYSA-N 337.387 1.489 0 40 EDAB Cc1ccc([C@@H]2C[C@H]2C(=O)NC2CCN(CC(N)=O)CC2)cc1C 71837341 XIHDAFUDCWOCHQ-DLBZAZTESA-N 329.444 1.473 0 40 EDAB Cc1noc2ncc(C(=O)N3CCC(N4CCNC4=O)CC3)cc12 71820732 OJBMYNGCNPNPMF-UHFFFAOYSA-N 329.360 1.161 0 40 EDAB C[C@H](CNC(=O)c1ccc(=O)n(C)c1)CN(C)C(=O)OC(C)(C)C 71894436 ZYAANEOCNOGKPF-GFCCVEGCSA-N 337.420 1.618 0 40 EDAB CCN(CC)CC(=O)N1CCN(C[C@H](O)c2cccc(F)c2)CC1 71803072 MWXSCABZPAJMSZ-KRWDZBQOSA-N 337.439 1.345 0 40 EDAB Cc1cc(C)n(C2CN(Cc3cc(=O)n4c(C)csc4n3)C2)n1 71880608 QPVPPMXVTHKIOW-UHFFFAOYSA-N 329.429 1.935 0 40 EDAB O=C1CCC(C(=O)N2CCO[C@H]3CCC[C@H]32)=NN1c1ccccc1 71822653 KTUVCCIPFMUULY-CVEARBPZSA-N 327.384 1.949 0 40 EDAB Cc1cc(F)ccc1NC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 71920169 ANIIFQMHONNEBG-CYBMUJFWSA-N 348.422 1.951 0 40 EDAB CCO[C@@H]1C[C@@H](N(C)C(=O)CN(C)S(C)(=O)=O)C12CCCC2 71920775 NJFRPMHHCXWWKN-CHWSQXEVSA-N 332.466 1.074 0 40 EDAB Cc1cc(NC(=O)[C@H](C)NC[C@@H]2CCCN2c2cccnn2)no1 72276737 AUJVLYNIIYEZTC-STQMWFEESA-N 330.392 1.359 0 40 EDAB O=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccc(NC2CC2)nc1 72277543 IXWBMEPJDYHLPK-UHFFFAOYSA-N 337.339 1.438 0 40 EDAB O=C1C[C@@H](NC(=O)N2CCC[C@H](CO)C2)CN1Cc1ccccc1 72274350 XIPFJPRQQAYXMD-JKSUJKDBSA-N 331.416 1.201 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C[C@@H]1O 89948601 NXIYVRYYPGNFHV-SNPRPXQTSA-N 336.457 1.511 0 40 EDAB NC(=O)[C@@H](NC(=O)c1ccc(N2CCCC2)nc1)c1ccc(F)cc1 97162322 HOQRVHMIIOLFSA-INIZCTEOSA-N 342.374 1.777 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)c2ccccc2F)o1 75607011 UNKZPWHJQUTGRE-UHFFFAOYSA-N 347.389 1.643 0 40 EDAB COc1cc(F)c(NC(=O)C(=O)N2CCCOCC2)cc1OC 75607061 WGVABPQLOAEBEY-UHFFFAOYSA-N 326.324 1.030 0 40 EDAB Cn1cc(S(=O)(=O)N(Cc2ccccc2)CC2(O)CCCC2)cn1 95448578 WFHZFQSCWBCRTB-UHFFFAOYSA-N 349.456 1.916 0 40 EDAB C[C@@H]1C[C@H](NC(=O)NC[C@](C)(O)c2ccc(F)cc2)CN1C1CC1 95442754 NOPWIUZMDIDMSQ-MRAWALMUSA-N 335.423 1.958 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)CCN1 88059389 OIPLXEHBUYFESB-MRVPVSSYSA-N 337.214 1.571 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCCCC2)nc1 73323980 STIZCUIXOPRDEJ-ZDUSSCGKSA-N 337.445 1.835 0 40 EDAB CCc1ccc([C@H]2CCCN2S(=O)(=O)NC[C@@H]2CCC(=O)N2)o1 78880954 OMXRKRIMNXPAKT-WCQYABFASA-N 341.433 1.092 0 40 EDAB C[C@H](NC(=O)CN1CCO[C@H](CNc2cccnn2)C1)c1ccco1 78894241 XXGPVTNWXMGTKF-UONOGXRCSA-N 345.403 1.060 0 40 EDAB COC(=O)CC1(NC(=O)Cc2cc(C)ccc2C)CCN(C)CC1 79013359 GIGODXPUCLZQIC-UHFFFAOYSA-N 332.444 1.990 0 40 EDAB Cn1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1=O 95948438 HAVQPKWDXIZAQT-KRWDZBQOSA-N 325.412 1.952 0 40 EDAB CC(C)(C)C[C@H](NC(=O)N1CCS(=O)(=O)CC1)C(F)(F)F 95995189 SJPVQZSODQSQIN-VIFPVBQESA-N 330.372 1.794 0 40 EDAB CC1CCN(CCNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 79983566 QNLDWBMCTNHNNP-INIZCTEOSA-N 335.452 1.916 0 40 EDAB CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)O)cn12 306135384 OPKPDMMUTNHGRY-HNNXBMFYSA-N 343.431 1.905 0 40 EDAB C[C@@]1(O)CCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 179250419 XZWJXFQRODVJCF-LLVKDONJSA-N 327.299 1.990 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)NCCCO)cc1)N1CCCCC1 408563641 VZVACHGUOLHMBZ-UHFFFAOYSA-N 341.433 1.365 0 40 EDAB COC(=O)c1c(OC)c(OC)c(OC)c(C(=O)OC)c1C(=O)OC 68601686 FKGJNWNABBXSCS-UHFFFAOYSA-N 342.300 1.072 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1c(O)n2c3c(cccc3c1=O)CCC2 1321219 CZHWUEWKWJWJQJ-LBPRGKRZSA-N 328.368 1.562 0 40 EDAB biogenic O=C1O[C@@]2(C[C@H]1n1cnc3ccccc3c1=O)C(=O)Nc1ccccc12 1592497 WXXWBNXZGRMTHR-DNVCBOLYSA-N 347.330 1.732 0 40 EDAB biogenic CCN1CCC[C@@H]1CNC(=O)c1c(-n2cnnn2)sc2c1CCC2 524732980 HSMBWEGLABNISP-LLVKDONJSA-N 346.460 1.427 0 40 EDAB Cc1noc(CCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)n1 77834498 URRGZCZJPNFMTM-UHFFFAOYSA-N 326.715 1.468 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)C2(CN)CN)cc1 218455246 NXXLAGDSIPPKEW-SJORKVTESA-N 348.443 1.978 0 40 EDAB CCc1nsc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 72836188 BONMWDDTJQNGOA-AWEZNQCLSA-N 331.445 1.449 0 40 EDAB CC(=O)N[C@@H](C)C(=O)NC1(C(=O)Nc2ccccc2C)CCCC1 75260272 KSIUMLWCIDZRKD-ZDUSSCGKSA-N 331.416 1.887 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCCO 33782486 LNTVRZSJCVUILQ-GFCCVEGCSA-N 336.413 1.005 0 40 EDAB Cc1csc(Nc2nccnc2[C@@H]2CCCN(CC(N)=O)C2)n1 72367836 QJNUKGYSOFVKEI-LLVKDONJSA-N 332.433 1.650 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1 32929485 MXMYQCNJLAFJLX-HNNXBMFYSA-N 342.461 1.867 0 40 EDAB O=C(O)c1ccc(N2CCCCC2)c(S(=O)(=O)NCCCO)c1 217462922 OOLFLFLTGSALIQ-UHFFFAOYSA-N 342.417 1.036 0 40 EDAB Cc1ccc(-n2[nH]c(C(=O)NCCOc3cccnc3)cc2=O)cc1 73677747 RBOKBQANXQFUGD-UHFFFAOYSA-N 338.367 1.678 0 40 EDAB CCn1nc(C)cc1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 72237860 FISWIAICZSIBJD-DLBZAZTESA-N 342.399 1.748 0 40 EDAB Cc1noc(CCCNC(=O)[C@H](C)N2CCc3ccccc3C2)n1 78928921 OPUVUFJAJSVSJO-ZDUSSCGKSA-N 328.416 1.874 0 40 EDAB O[C@H](COCCOC12CC3CC(CC(C3)C1)C2)CN1CCOCC1 41689825 MFFRLMFKZKVURQ-NNGLDNROSA-N 339.476 1.682 0 40 EDAB CN(C)Cc1ccc(CNC(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1F 569123401 HGTLKIVNCZDMML-GASCZTMLSA-N 337.395 1.197 0 40 EDAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCC(C)(C)C 226053318 LGBVKOFMDFEIEA-UHFFFAOYSA-N 342.461 1.786 0 40 EDAB CCCN(C(=O)c1ccc(-n2nnnc2C)cc1)C1CCNCC1 569983727 ATLYBDWBALUJKT-UHFFFAOYSA-N 328.420 1.575 0 40 EDAB COc1ccc(NC(=O)C(=O)NCC[C@@H](O)C2CC2)cc1Cl 77108483 ZAIAMQRMMBZDLP-GFCCVEGCSA-N 326.780 1.564 0 40 EDAB CS(=O)(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1F 225841219 FAKFTZTZCNTXFI-UHFFFAOYSA-N 328.409 1.646 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(Cl)cc(F)c2N)C1 225563302 SWADKKUVSLLKFC-SECBINFHSA-N 349.815 1.215 0 40 EDAB COCC(=O)NC1CN(Cc2ccc(-c3ccncc3)cc2F)C1 576206387 DYICLTDWHUNJCW-UHFFFAOYSA-N 329.375 1.835 0 40 EDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccccn2)cc1 223286500 WOUQBWJORSDPIH-JXMROGBWSA-N 331.397 1.319 0 40 EDAB Cc1nnsc1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96121857 MAWAXNPSFWKAQR-UHFFFAOYSA-N 341.389 1.284 0 40 EDAB CC(C)N1CCc2ncn(C(C)C)c2[C@@H]1C(=O)N1CCN(C)CC1 96264993 VBJFFAHYBXVEPO-QGZVFWFLSA-N 333.480 1.546 0 40 EDAB O=C1C[C@H](C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)CN1 97237854 ZSVMSUTZTFBHBK-GWCFXTLKSA-N 342.317 1.741 0 40 EDAB Cc1ccc2c(c1C)NC(=O)[C@@H]2CC(=O)N[C@H](C)Cn1cncn1 95526424 LVQRXBSNLRYJEK-BXUZGUMPSA-N 327.388 1.526 0 40 EDAB O=C(c1cnccn1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107362 MJDJQNFULMPFOV-KDOFPFPSSA-N 340.383 1.714 0 40 EDAB O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CCN(c1ncccn1)C2 97953358 BSPBRLIUDCUMMZ-RHSMWYFYSA-N 328.372 1.371 0 40 EDAB CC(C)c1noc(CCNC(=O)C(=O)Nc2cc(F)cc(F)c2)n1 96413592 UKRCWMUFHKYTNG-UHFFFAOYSA-N 338.314 1.769 0 40 EDAB O=C1[C@@H](N2CCN(C[C@@H]3CCCO3)CC2)CCCN1c1ccccc1 96406949 YADQGQZDKGGLND-OALUTQOASA-N 343.471 1.979 0 40 EDAB Cn1cc(C(=O)N[C@H]2CCO[C@]3(CCN(Cc4ccco4)C3)C2)cn1 96207929 JKOJOVLEHMCYCB-MAUKXSAKSA-N 344.415 1.567 0 40 EDAB O=C(c1n[nH]c2c1CN(Cc1ccsc1)CC2)N1CCOCC1 96066599 WUCIZPFHXFYKAV-UHFFFAOYSA-N 332.429 1.502 0 40 EDAB CC1(C)[C@@H](OC[C@H](O)CN2CCN(CCO)CC2)[C@@]2(C)CC[C@@H]1C2 95533199 SPYRNWLNZNVRQZ-MTNOOBJLSA-N 340.508 1.189 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(CC2CCOCC2)Cc2cccn21 248057977 YMLFFDONGHQAIQ-KRWDZBQOSA-N 335.448 1.376 0 40 EDAB O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CCC[C@@H](n2ccnn2)C1 584586980 WJLFXKAALAEHHL-CYBMUJFWSA-N 340.343 1.099 0 40 EDAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(Cc3ccsc3)[C@H]2C1 248003267 ODVCYKDOEOAVCE-JYJNAYRXSA-N 338.473 1.832 0 40 EDAB C[C@H]1CN(C)c2ccccc2N(C(=O)CCCN2C(=O)CNC2=O)C1 607916363 JDZJFGYWOLFLQW-ZDUSSCGKSA-N 344.415 1.438 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)CCCc2ccncc2)n1 257306944 SWQUSSKERGAWIK-MRXNPFEDSA-N 342.399 1.808 0 40 EDAB O=C(N[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H]1O)c1c[nH]cn1 257203144 AOWBUVNCCMQFAN-HUUCEWRRSA-N 342.424 1.600 0 40 EDAB O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(Cl)no1 585122160 OTNASXVDJUQSPI-NSHDSACASA-N 349.774 1.738 0 40 EDAB CN1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)c(F)c2)S1(=O)=O 585127787 JJNVOGDMSYQYFX-SNVBAGLBSA-N 340.298 1.817 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)nc(C)n1 257210491 BUWRFBAQURTNBF-INIZCTEOSA-N 329.404 1.589 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257283987 PAUBRCCGAXIBJA-AWEZNQCLSA-N 327.388 1.610 0 40 EDAB CC(=O)N1CCN(Cc2ccc(OC(C)C)cc2)C[C@@H](C(N)=O)C1 257210612 BVJVFEOYYODDFK-MRXNPFEDSA-N 333.432 1.239 0 40 EDAB Cc1cnn(CC(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)c1 257340563 ZGRRUXSONWTBGA-HNNXBMFYSA-N 329.404 1.029 0 40 EDAB Cc1nn(C)c(C)c1-c1cncc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257235844 GZTRCWLXVPKCCH-CYBMUJFWSA-N 349.460 1.633 0 40 EDAB NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCC=C(c3ccccc3)C2)O1 252482980 DRMLAQIHJNKOFC-HZPDHXFCSA-N 329.400 1.518 0 40 EDAB O=C(CN1CCCCCC1=O)NCc1cnc([C@@H]2CCCCO2)nc1 257233605 GPXFSLVVUSPXJA-HNNXBMFYSA-N 346.431 1.737 0 40 EDAB Cc1nc(-c2ccccc2)sc1CNC(=O)c1cc(=O)[nH]c(=O)[nH]1 85470941 BUMBBYRLQOGWRN-UHFFFAOYSA-N 342.380 1.425 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C(F)(F)C2)cc1 289644922 JOGQSHOQECMRLB-LBPRGKRZSA-N 349.355 1.816 0 40 EDAB Cc1nccn1C[C@H](C)CNC(=O)c1ccc2c(c1)C(=O)NCCO2 1615003180 SXNIJLYMUWZEDI-GFCCVEGCSA-N 342.399 1.380 0 40 EDAB CC(C)n1cc2ccc(NC(=O)[C@H]3CN4CCCN3CC4)cc2n1 390835335 LCLBKUKYMXUPGM-QGZVFWFLSA-N 327.432 1.946 0 40 EDAB CC[C@](C)(COc1ncccc1Cl)NC(=O)[C@H]1COCCN1C 390834735 VLDSECGCUALYDI-CZUORRHYSA-N 341.839 1.729 0 40 EDAB CC(C)C(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccn1C 575403112 IWDJSBAPZHPIBI-AWEZNQCLSA-N 333.432 1.419 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575404923 WAGJVCQWZZQHNJ-CQSZACIVSA-N 342.486 1.896 0 40 EDAB CO[C@@H]1C[C@H](Nc2ncccc2S(=O)(=O)NC(C)C)C1(C)C 571838976 CCPCDOXSDKHAAX-QWHCGFSZSA-N 327.450 1.994 0 40 EDAB CC1CC(C(=O)N2CC[C@]3(C2)C(=O)NC[C@H]3COc2cccnc2)C1 585104132 GGCWUHBWNYFCHK-CALVRSAPSA-N 343.427 1.471 0 40 EDAB CCn1ccc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)n1 585278067 PWDQIZLVPTXLPD-SFHVURJKSA-N 329.400 1.349 0 40 EDAB COCCN1C(=O)CCC[C@@H]2[C@H]1CCCN2CC1(O)CCOCC1 585262843 LQHYKCPTBHRSMM-HZPDHXFCSA-N 340.464 1.020 0 40 EDAB Cc1ccc(OC[C@H]2CCn3nccc3CN2S(C)(=O)=O)cn1 585097821 RBEGOBPWHBLESZ-CQSZACIVSA-N 336.417 1.199 0 40 EDAB O=C(c1ccco1)N1CCC[C@@]2(CCN(C(=O)C3CC(O)C3)C2)C1 585099925 HXTMOULKVHTVNM-WTNGLUPJSA-N 332.400 1.505 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CCC(N2CCNC2=O)CC1 54318087 LEPZGDQHHKANTH-UHFFFAOYSA-N 341.415 1.512 0 40 EDAB CCc1noc(C)c1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 57210167 COUVEQHITSBVHD-INIZCTEOSA-N 339.461 1.483 0 40 EDAB CC(=O)N1CCN(CCNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 69349628 SSGDPGNWNCKVMJ-SJORKVTESA-N 349.862 1.724 0 40 EDAB CCOc1ncccc1C(=O)N1CCN(C(=O)c2ccoc2C)CC1 69385839 LVNOOJQOWACLOU-UHFFFAOYSA-N 343.383 1.980 0 40 EDAB CN(Cc1ccco1)C(=O)CN1CCN(C[C@@H](O)C(C)(C)C)CC1 69652458 HYLJMYYMXOTHPI-MRXNPFEDSA-N 337.464 1.263 0 40 EDAB O[C@@H](CN1CCN(c2ccc3nncn3n2)CC1)c1ccccc1F 69814753 BUTDPOYEBHKDEF-HNNXBMFYSA-N 342.378 1.119 0 40 EDAB Cc1ccccc1C(=O)NC1CCN(C[C@H](O)Cn2cccn2)CC1 69970516 KMWJKJZJVVQGTN-KRWDZBQOSA-N 342.443 1.447 0 40 EDAB COc1ccc(S(=O)(=O)NCCc2nncn2C(C)C)cc1C 70019964 GEFDPZFVZDODNA-UHFFFAOYSA-N 338.433 1.697 0 40 EDAB CCCNC(=O)N1CCN2CC(=O)Nc3ccccc3OC[C@H]2C1 1772594787 ULOWPIXHUPESNA-CYBMUJFWSA-N 332.404 1.123 0 40 EDAB COc1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 5249831 NPVWKDIPRDIXRL-SKDRFNHKSA-N 328.415 1.357 0 40 EDAB O=C(O)c1cn(C2CC2)c2cc(N3C[C@@H]4C[C@H]3CN4)c(F)cc2c1=O 13649275 LHZDPJRHQVYKPA-ONGXEEELSA-N 343.358 1.724 0 40 EDAB in-vitro COCCOc1cccc(CN2CCc3nc(C)[nH]c(=O)c3CC2)c1 19286447 FDMNHPDCZUFGSP-UHFFFAOYSA-N 343.427 1.704 0 40 EDAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)c1 169711234 LUPTVSCTZKBZQL-MOROJQBDSA-N 327.336 1.696 0 40 EDAB CO[C@@H]1COC[C@@H](CNCc2ccc(Cn3cccn3)cc2)[C@@H]1O 643585699 ZREJYATUFNBOEC-KURKYZTESA-N 331.416 1.043 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)s1 253471833 FXXSICJGCFMSGD-UHFFFAOYSA-N 326.447 1.928 0 40 EDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)C5CC5)C[C@H]4C3)ncnc21 1065950275 HUIGRNOQRCCTRK-BETUJISGSA-N 326.404 1.151 0 40 EDAB COCCN[C@@H]1CSC2(C1)CN(C(=O)c1noc(C)c1C)C2 2056224821 XNFAAMJPDHWPBV-LBPRGKRZSA-N 325.434 1.228 0 40 EDAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)[C@H]1CCCO1 1565542536 MSHYOPKOUBGPJZ-IAGOWNOFSA-N 341.411 1.840 0 40 EDAB O=C(Nc1nnc(C2=COCCO2)o1)c1ccc2c(c1)OCCO2 4107205 XKSQWFUZMWGQNU-UHFFFAOYSA-N 331.284 1.438 0 40 EDAB Cc1cnc2c(c1N1CCc3ccccc3C1)c(=O)n(C)c(=O)n2C 22767642 QQSBSJWWVXERDT-UHFFFAOYSA-N 336.395 1.503 0 40 EDAB CCCn1c2c(c(O)c(C(=O)NCCN(CC)CC)c1=O)CCCC2 20081847 GVZBGZZJKVVSMW-UHFFFAOYSA-N 349.475 1.914 0 40 EDAB CC(=O)N1CCC(C(=O)NCCN2CCc3ccccc3C2)CC1 30319220 DMBYFYMYYNFCER-UHFFFAOYSA-N 329.444 1.419 0 40 EDAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc[nH]c1=O 31175225 MPIYCZKGJBYWNC-UHFFFAOYSA-N 335.310 1.754 0 40 EDAB O=C1C[C@H](N(C(=O)CCc2ccc(Cl)s2)C2CC2)C(=O)N1 100712291 CDRQRNLGDNTWID-JTQLQIEISA-N 326.805 1.740 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(OC)cc2)o1 31637388 QVTVRVUGBPVGHD-UHFFFAOYSA-N 338.385 1.469 0 40 EDAB CCCn1nc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)ccc1=O 36726407 UPIWSJYGEIHEKT-CYBMUJFWSA-N 343.383 1.565 0 40 EDAB Cc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(N)=O)c2s1 32091822 IBZKWBAUVMAWCW-UHFFFAOYSA-N 329.381 1.067 0 40 EDAB CC[C@H](NC(=O)N1CCc2cc(F)ccc2C1)C(=O)N1CCOCC1 91704102 DMDDVQPUEQFQLI-INIZCTEOSA-N 349.406 1.531 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1 69616483 XVGAHAHERPSCHS-UHFFFAOYSA-N 335.795 1.819 0 40 EDAB COCCN1CCC[C@@H](NS(=O)(=O)c2cccc(C(C)=O)c2)C1 69624164 YTRRQRJJEZXGQX-OAHLLOKOSA-N 340.445 1.278 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2cnc3sccn3c2=O)cn1 69665395 NYLHMWMFPVRMHW-LBPRGKRZSA-N 329.385 1.467 0 40 EDAB O=S(=O)(CCN1CCNCC1)c1ccc(Br)cc1 36946258 CQCQIBTWIOXKFO-UHFFFAOYSA-N 333.251 1.128 0 40 EDAB in-vitro NC(=O)C1CCN(C(=O)[C@@H]2CC(c3ccccc3Cl)=NO2)CC1 4504948 HYLLHOGEDLFNAH-AWEZNQCLSA-N 335.791 1.557 0 40 EDAB CCOc1ccc(CN(C)C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 32870431 ZWRNTEPICYCVPP-UHFFFAOYSA-N 345.399 1.362 0 40 EDAB NC(=O)N1CCC(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)CC1 32857906 KQMFDKYEQHSPDA-UHFFFAOYSA-N 344.415 1.442 0 40 EDAB C[C@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@]41Br)C21OCCO1 102475428 QKDMEDBNNOGXJP-NFLYPBGESA-N 341.201 1.378 0 40 EDAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)O)c12 487965 XOHGNHLDYNMYHU-UHFFFAOYSA-N 333.340 1.634 0 40 EDAB biogenic CC(=O)N1CCN(c2c(NCc3ccccc3Cl)c(=O)c2=O)CC1 101442297 DTRPSPCXFDKXGP-UHFFFAOYSA-N 347.802 1.217 0 40 EDAB CCOc1cccc2c1OCC(C(=O)NC[C@H](C)N1CCOCC1)=C2 46745402 TYOVCCSYKSRAIY-AWEZNQCLSA-N 346.427 1.698 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 12196520 QLLFMCBCNPZPKD-OAHLLOKOSA-N 348.424 1.997 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(-n2nccc2C)cc1 33211785 AXHORGZBZMGOLT-MRXNPFEDSA-N 326.400 1.921 0 40 EDAB OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22029877 CBZGXAXPEPQPLY-LJQANCHMSA-N 326.440 1.747 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)c2ccnc(OCc3ccccc3)c2)C1 53062296 CEHAAMRUMZKNMC-OAHLLOKOSA-N 325.368 1.608 0 40 EDAB CCCN1CCN(C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CC1 53267513 XDMSSQFIGMBKDH-UHFFFAOYSA-N 331.395 1.883 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C[C@@H](C)O1 55216212 YYWYBTBKYAIQSE-TXEJJXNPSA-N 338.429 1.759 0 40 EDAB Cc1ccc(-n2nc(C)c(C(=O)N[C@H]3CCS(=O)(=O)C3)n2)c(C)c1 17636743 YWUVNIMISNWBPK-ZDUSSCGKSA-N 348.428 1.109 0 40 EDAB COc1cccc([C@H](CNC(=O)C2=NN(C)C(=O)CC2)N(C)C)c1 41951841 KQDIDWPWVJYEAU-HNNXBMFYSA-N 332.404 1.022 0 40 EDAB Cc1ccccc1S(=O)(=O)NC(=O)c1ccc2c(c1)NC(=O)CO2 42242149 HFYAXDKPQITSDQ-UHFFFAOYSA-N 346.364 1.445 0 40 EDAB O=C(CC1CCCC1)N1CCN(Cc2cc(=O)n3nccc3[nH]2)CC1 69701744 VFUSWQROCCGOPX-UHFFFAOYSA-N 343.431 1.247 0 40 EDAB C[C@H]1CN1C(=O)c1cc(C(=O)N2C[C@H]2C)cc(C(=O)N2C[C@H]2C)c1 100261564 PBWSPPTYGLDOFW-IBDYSFOSSA-N 327.384 1.220 0 40 EDAB O=C(CCN1CCC[C@H]1Cn1cncn1)NCCc1ccccc1 69743489 NRFMVMCEQXSJRY-KRWDZBQOSA-N 327.432 1.492 0 40 EDAB Cc1ccc(C)c(CS(=O)(=O)CCCS(=O)(=O)N(C)C)c1 69779636 FYILSAYKYOSEJB-UHFFFAOYSA-N 333.475 1.500 0 40 EDAB Cc1ccoc1C(=O)NCCCN1CCN(c2ncccn2)CC1 23895318 AINKPODUJDUVBS-UHFFFAOYSA-N 329.404 1.320 0 40 EDAB COc1ccccc1-c1noc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)n1 71864317 IQDXYIYTPCZYCL-UONOGXRCSA-N 346.431 1.632 0 40 EDAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@]3(CCSC3)C2=O)cc1 24096857 KRNPQSDNNAKWCO-WBMJQRKESA-N 336.413 1.162 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16C=CC=C[C@@]56[C@H]2[C@@H]43 104286536 BPXCBGYWWVEAFS-ZOHDJHSCSA-N 329.359 1.515 0 40 EDAB CCCCN(CC(N)=O)C(=O)c1ccc(NC(=O)NC2CC2)cc1 55359607 HMSMIDIHAUGSOF-UHFFFAOYSA-N 332.404 1.698 0 40 EDAB O=C(c1cn(-c2ccc(Br)cc2)nn1)N1CCOCC1 24961664 NVAKJHCONWGKHZ-UHFFFAOYSA-N 337.177 1.502 0 40 EDAB Cc1c([C@H](C)NC(=O)Cc2csc(N3CCCC3=O)n2)cnn1C 25000279 TYKIBVGNQRZIMA-JTQLQIEISA-N 347.444 1.732 0 40 EDAB C[C@@H]1CCCN([C@H](C)CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 106625110 APLFLCDQFAREQL-KFWWJZLASA-N 345.509 1.037 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)NCc2ccc(Cl)cc2)C[C@@H]1C 106868000 SVICYFUOXIEJFC-KBPBESRZSA-N 339.867 1.343 0 40 EDAB O=C(NCCNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1 25527053 BPDMDVAKQXCYBE-UHFFFAOYSA-N 344.436 1.884 0 40 EDAB O=C(c1cccc(NS(=O)(=O)c2cn[nH]c2)c1)N1CCCCC1 57119360 BKBGKQSDBTVQJQ-UHFFFAOYSA-N 334.401 1.837 0 40 EDAB C[C@@H]1CCc2c(sc3ncnc(N4CCN[C@H](C(N)=O)C4)c23)C1 57392193 WCBPASRKNMZYPH-KOLCDFICSA-N 331.445 1.080 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(C3CC3)on2)cc1 26633837 UXJISAAIEXHJGR-UHFFFAOYSA-N 349.412 1.531 0 40 EDAB COC(=O)C[C@@H]1CCCCN1CC(=O)NCCc1ccc(OC)cc1 53616346 NORDLYQRFHGMMH-INIZCTEOSA-N 348.443 1.772 0 40 EDAB NC(=O)NCCCCCC(=O)NCc1ccc(Cn2ccnc2)cc1 57985057 HAXIAKFWFQFUCR-UHFFFAOYSA-N 343.431 1.776 0 40 EDAB COc1ccccc1CCNC(=O)COn1nnc2ccccc21 58023151 IQHFYKMPKFFMBU-UHFFFAOYSA-N 326.356 1.227 0 40 EDAB CCOC(=O)N(C)CC(=O)NCc1ccc(Cn2cccn2)cc1 48064390 XWYLRIOMSXVHDA-UHFFFAOYSA-N 330.388 1.636 0 40 EDAB COc1ccc(C(=O)N[C@H](C(=O)NCc2cc[nH]n2)C(C)C)cc1 44936547 MHRJKZZQYBGLIX-HNNXBMFYSA-N 330.388 1.489 0 40 EDAB CC(C)(CNC(=O)NCCc1ccc2c(c1)OCO2)N1CCOCC1 44949566 YBEQMJYWRRHQJV-UHFFFAOYSA-N 349.431 1.368 0 40 EDAB CS(=O)(=O)c1ccc([C@@H](O)Cn2cnc3ccccc3c2=O)cc1 58356308 CDSJKJWXBMAEBO-INIZCTEOSA-N 344.392 1.534 0 40 EDAB CCN1CCc2c(sc3c2c(NCCN(C)C)nc2nnnn23)C1 2355197 HFTZPEAFXFOZRC-UHFFFAOYSA-N 346.464 1.086 0 40 EDAB C[C@H](c1cccs1)N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1 45406309 UUNQWVNSVUIVEE-LLVKDONJSA-N 345.490 1.875 0 40 EDAB Cc1ccc(CNC(=O)Cn2nnn(-c3cccs3)c2=O)cc1 11198989 WHDGGPKPGNNZIF-UHFFFAOYSA-N 329.385 1.115 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N(C)Cc1ccco1 48244901 BINIFGZCWFRPDI-UHFFFAOYSA-N 338.367 1.934 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)NC[C@H]2Cc3ccccc3O2)cn1 48288679 LNTMOLDFQOMNCE-CYBMUJFWSA-N 347.396 1.610 0 40 EDAB O=C(NCc1ccc(-n2cncn2)nc1)c1ccccc1-n1cccn1 48302279 XNDBDUVOLJEFRF-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB CSc1nnnn1-c1cccc(NC(=O)NCC(C)(C)C(N)=O)c1 69814524 BUCJXQGGPOFEKL-UHFFFAOYSA-N 349.420 1.017 0 40 EDAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1cnc(N2CCCC2)nc1 89949102 QJUPUMFYTNMQSO-IRXDYDNUSA-N 331.464 1.813 0 40 EDAB CCCc1noc([C@H](C)N2CCN(Cc3cnn(CCO)c3)CC2)n1 69950490 BSUIVYAUVGSCIC-AWEZNQCLSA-N 348.451 1.090 0 40 EDAB NC(=O)[C@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)c2ccccc2O1 12973101 AYOVRGKOTBHTBH-CVEARBPZSA-N 340.335 1.106 0 40 EDAB CN1C(=O)Cc2cc(C(=O)CSc3nnnn3C3CC3)ccc21 12975743 RYBNJXGJAAXDQJ-UHFFFAOYSA-N 329.385 1.502 0 40 EDAB CC(C)CNC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 13005120 FVXOVVOSNLPGJP-CQSZACIVSA-N 337.445 1.522 0 40 EDAB CCc1ccc(S(=O)(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)o1 8782473 ZAYQVACPYDWBKR-NSHDSACASA-N 344.286 1.811 0 40 EDAB O=C(NCc1nnn2c1C(=O)N(CC1CC1)CC2)c1cccc(F)c1 306138162 RRJWEEPLRAFENJ-UHFFFAOYSA-N 343.362 1.213 0 40 EDAB CC(C)CCNC(=O)COCC(=O)N1CCN(c2ccccc2)CC1 13945645 SAUQVKLHQFZHOZ-UHFFFAOYSA-N 347.459 1.514 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)Nc2cnn(CC(N)=O)c2)cc1 65422867 YCQYARPZMYJUBZ-HNNXBMFYSA-N 343.387 1.746 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCc1cccc(F)c1 65415570 FOGUATZYYRBWKY-CQSZACIVSA-N 343.424 1.439 0 40 EDAB CCCc1noc(CNc2ccc(OC)c(-n3nnnc3C)c2)n1 65562233 GQFSGSJOTPFBNR-UHFFFAOYSA-N 329.364 1.927 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)SCCN2C(=O)NC(C)(C)C2=O)on1 78555702 DEXBYSFBOACNIN-SECBINFHSA-N 340.405 1.374 0 40 EDAB CC(=O)c1ccc(N2C(=O)[C@@H]3ON=C(c4cccnc4)[C@H]3C2=O)cc1 9012125 SMOFNUDLCMBJKP-GDBMZVCRSA-N 335.319 1.577 0 40 EDAB COCCN1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 65625868 LUASMZZQQXRJFW-JKSUJKDBSA-N 345.443 1.124 0 40 EDAB O=c1nc2s/c(=C\c3cccnc3)c(=O)n2nc1Cc1ccccc1 5589659 IFFMGPJKJAPYPG-GDNBJRDFSA-N 348.387 1.045 0 40 EDAB COC1=CC[C@@]23CCN(C)[C@@]2(C[C@@H](O)c2cc4c(cc23)OCO4)C1=O 14680698 AFTBFIOTWHPFTG-VMDGZTHMSA-N 343.379 1.668 0 40 EDAB biogenic CNC(=O)NC(=O)[C@H](C)Sc1nnc(C)n1-c1ccc(C)cc1 4835907 UPICDLFXBPTRSE-JTQLQIEISA-N 333.417 1.820 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)NCc1cc(Cl)ccc1OC(F)F 80607134 XTCFCRIMABCIJU-MRVPVSSYSA-N 347.749 1.971 0 40 EDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1Cn1nc(C)cc1C 71870253 DLIOPTVKIDGVFI-LSDHHAIUSA-N 336.461 1.412 0 40 EDAB O=C(NCC(=O)N1CCc2ccccc21)c1noc2c1CCCC2 69351945 WPFKMMCRNNOOMI-UHFFFAOYSA-N 325.368 1.873 0 40 EDAB COc1ccccc1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 8344003 RSWOYDSWZMPWER-UHFFFAOYSA-N 345.399 1.770 0 40 EDAB COCCN(C)CCCNC(=O)c1cccnc1Oc1cccnc1 69416636 MKJCIUGVHQTKJE-UHFFFAOYSA-N 344.415 1.967 0 40 EDAB CCN1CCC[C@@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 69416887 DXXMYCXXQLADOJ-GFCCVEGCSA-N 337.449 1.039 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc(F)cc(F)c1 69485145 BTGJKDWOCQGGAM-OAHLLOKOSA-N 339.386 1.637 0 40 EDAB COCCN(C)CCCNC(=O)[C@@H](C)NC(=O)CC1CCCCC1 69539057 NDJFNEUSQTWFMK-OAHLLOKOSA-N 341.496 1.546 0 40 EDAB NS(=O)(=O)CCNC(=O)[C@H](OC1CCCC1)c1ccccc1 69521514 SORJLKVWALCBHU-CQSZACIVSA-N 326.418 1.092 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCCN(c2ncccn2)C1 69510197 LQAVQDCAHOMAIZ-ZACQAIPSSA-N 343.475 1.778 0 40 EDAB CON(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 9691065 XYMCOZBQETUKSY-UHFFFAOYSA-N 326.418 1.416 0 40 EDAB CC(C)c1nc([C@H]2CCCN(C(=O)CS(=O)(=O)C(C)C)C2)no1 75582547 WUOLFCQUPRBTQP-LBPRGKRZSA-N 343.449 1.722 0 40 EDAB CN(CCN1CCCC1=O)C[C@H](c1cccs1)N1CCOCC1 75603801 VVXYFQNZOKONMO-OAHLLOKOSA-N 337.489 1.676 0 40 EDAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(CC(=O)NC2CC2)CC1 96908306 CAYNXZYWAYVILN-ZDUSSCGKSA-N 348.422 1.049 0 40 EDAB COc1ccc(CCC(=O)N[C@H]2CCc3nccn3C2)cc1OC 72278560 OPQACPNIFVBNIF-AWEZNQCLSA-N 329.400 1.964 0 40 EDAB O=C(NCCN1CCN(C(=O)C2CCC2)CC1)Nc1ccncc1 72285557 MWNALYCZORLRQL-UHFFFAOYSA-N 331.420 1.147 0 40 EDAB CN(C[C@@H]1CCCN1c1cccnn1)[C@H](C(N)=O)c1ccccc1 72279462 RQDLJXDKQHUHEZ-RDJZCZTQSA-N 325.416 1.604 0 40 EDAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 72234649 JNIPTIHQVOVYOL-CYBMUJFWSA-N 329.404 1.578 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)CCCc3nc(C(C)C)no3)CCO2)n1 76045568 DPMUXWZVFKIBRE-LBPRGKRZSA-N 348.407 1.542 0 40 EDAB CN(C)C(=O)NCCNc1cc(-c2ccccc2)nc2ncnn12 97081329 GDLBASYOADZMNR-UHFFFAOYSA-N 325.376 1.474 0 40 EDAB NC(=O)C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccccc3)n2)C1 97098832 QZFXDDYQTBKLJF-ZDUSSCGKSA-N 327.388 1.992 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@H]1OCCc2ccccc21)c1ccc(F)cc1 97146998 RKPRCLSYUYCBCQ-HOTGVXAUSA-N 328.343 1.782 0 40 EDAB Cc1cc2nc(N3CC[C@@H](CNc4ccccn4)C3)cc(=O)n2o1 97200288 RAVDOCADKGNLBQ-ZDUSSCGKSA-N 325.372 1.929 0 40 EDAB CN1CCC[C@@H](N(C)C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 72497350 AXAYEZGNSYAPEA-RTBURBONSA-N 345.487 1.830 0 40 EDAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCc1ncnn1C 84409300 WRRPLLRPOQHTIT-HNNXBMFYSA-N 347.394 1.068 0 40 EDAB CC[C@H](NC(=O)CNS(C)(=O)=O)c1ccc2c(c1)CC(C)(C)O2 95395747 XRKGKXYJOIVGFO-ZDUSSCGKSA-N 340.445 1.517 0 40 EDAB Cc1cc(F)c(S(=O)(=O)NCCCN2CCC(O)CC2)cc1F 95432927 FXPVYZORURSGPW-UHFFFAOYSA-N 348.415 1.398 0 40 EDAB C[C@H](NC(=O)C[S@@](=O)Cc1ccc(Cl)s1)C(=O)N(C)C 95417590 QPFBDQLJPJMXJO-FFVOIRBGSA-N 336.866 1.243 0 40 EDAB O=S(=O)(C[C@H](O)CNCc1cc(F)cc(F)c1)c1cccs1 95440171 HRTTXZFKAXXHIT-CYBMUJFWSA-N 347.408 1.951 0 40 EDAB Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCSCC1 79496417 XHWNERVHJZJSIO-UHFFFAOYSA-N 337.489 1.626 0 40 EDAB O=C(CN(Cc1cccc2nccn12)C[C@H]1CCCO1)N1CCCC1 95986778 JUAJRAGGTSJWIJ-QGZVFWFLSA-N 342.443 1.938 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 89544503 ULTHNSKPRJGEIP-OAHLLOKOSA-N 343.435 1.409 0 40 EDAB CN1CC[C@@H](CN(C)C(=O)NC2CCN(c3ccccn3)CC2)C1 75128140 JGKFJNSXQOSOKS-OAHLLOKOSA-N 331.464 1.644 0 40 EDAB CC(=O)N[C@@H](CCC(N)=O)C(=O)N(C)c1ccc(C(C)(C)C)cc1 75136818 OXHWNAJKZNDVDI-HNNXBMFYSA-N 333.432 1.717 0 40 EDAB CC(C)(CNC(=O)N[C@H]1C[C@H]1c1ccc(F)cc1)NS(C)(=O)=O 89761760 GFMXGYYRSGWYEF-STQMWFEESA-N 343.424 1.309 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218461887 LMTPREMMWVSIDW-OBJOEFQTSA-N 331.821 1.359 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccncc2)[C@@H]1c1ccccc1 72237987 ULQDRQLZURQIHO-DLBZAZTESA-N 325.368 1.296 0 40 EDAB C[C@@H]1C[C@H]2CNC[C@H]2N1C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 1552853977 KZHPEGSIWDPJKC-PVXIVEMSSA-N 327.428 1.763 0 40 EDAB CCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 39985609 LPBRVBXXTUTPFY-LBPRGKRZSA-N 328.434 1.667 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCC(=O)NC2(C)C)nn1C1CCOCC1 529305377 WWQXHNGSXLAVTP-CQSZACIVSA-N 334.420 1.330 0 40 EDAB Cc1cc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)n(C)n1 79358745 FYDNYSZRNBSXAU-CYBMUJFWSA-N 331.376 1.634 0 40 EDAB Cn1nc(-c2ccccc2)cc1C(=O)N1CC(Nc2ccncn2)C1 670877361 WJHYQTQNXYIYPB-UHFFFAOYSA-N 334.383 1.814 0 40 EDAB O=S(=O)(CCc1ccccc1)N1CC[C@@H](Oc2cnsn2)C1 675007927 DWLWBSJXHBYUDL-CYBMUJFWSA-N 339.442 1.564 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)NCCS(=O)(=O)C(C)(C)C 79051753 IABIYDUMHSWDTH-UHFFFAOYSA-N 329.466 1.299 0 40 EDAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(C(=O)O)o1 566360329 VUJCNDBFJHTEPD-JTQLQIEISA-N 338.385 1.818 0 40 EDAB CCOC(=O)c1ccc(NC(=O)c2cc(N3CCOCC3)on2)cc1 224077450 VBLAAHDKJRZDTM-UHFFFAOYSA-N 345.355 1.940 0 40 EDAB O=C([C@H]1OCCc2ccccc21)N1CC[C@@H](Oc2cnccn2)C1 225796125 FOVYLWQEGIUFJU-PBHICJAKSA-N 325.368 1.770 0 40 EDAB COc1ccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 223028236 AROAPKIAFAVBIX-UHFFFAOYSA-N 334.353 1.955 0 40 EDAB CC(=O)N1CCN(C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)CC1 40474277 WVZCMQIEUBKBPA-GOSISDBHSA-N 341.411 1.641 0 40 EDAB c1ccc(CN2C[C@H]3CC[C@@H](NCCN4CCOCC4)[C@@H]3C2)cc1 195577907 XLPNKMBUYSNUTG-VAMGGRTRSA-N 329.488 1.819 0 40 EDAB COCc1ncn2c1CN(S(=O)(=O)c1cccs1)CCC2 96259915 OYOIMHKEBIIETE-UHFFFAOYSA-N 327.431 1.686 0 40 EDAB CCN1C[C@H]2[C@@H](C1)N(C(=O)COc1ccccc1OC)CC[C@H]2OC 96209317 AHLLBENSPLJAPM-ARFHVFGLSA-N 348.443 1.642 0 40 EDAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3ccoc3)CC[C@@H]21 96185651 DEIBUQVMFRSPGI-PMPSAXMXSA-N 343.387 1.023 0 40 EDAB O=C1CN(C(=O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)CCN1 96491126 LPDDOILUIRMOOX-GFCCVEGCSA-N 347.312 1.367 0 40 EDAB CCC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CCN2CC 96077211 KCNZNSJZLVXHLB-UHFFFAOYSA-N 344.459 1.830 0 40 EDAB CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)NCc2cnn3ccccc23)C1 577671662 JHYUEURNUSIKOV-OCCSQVGLSA-N 341.375 1.124 0 40 EDAB CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(C1CCCCC1)C2 514289932 QJKYTIGOHIEMFX-DLBZAZTESA-N 335.492 1.307 0 40 EDAB biogenic,in-vitro CN(C)C(=O)COC[C@H]1CN(Cc2ccncc2)Cc2ncn(C)c21 96044877 FWQWTRKHEBBEBS-OAHLLOKOSA-N 343.431 1.019 0 40 EDAB Cc1cnc(N2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)nc1 96224654 VWPLOMOIXSZXSH-KRWDZBQOSA-N 326.404 1.542 0 40 EDAB CCCS(=O)(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2Cc1cccnc1 96186365 NNKKIHWUUIUGIB-GJZGRUSLSA-N 337.445 1.387 0 40 EDAB Cc1ccoc1C(=O)N1CC[C@@H]2CN(CCN(C)C)CCO[C@@H]2C1 96249592 HCZQQCYZZOVNOX-HZPDHXFCSA-N 335.448 1.313 0 40 EDAB CCc1ccc([C@H](COC)NC(=O)c2cccc(-n3cnnn3)c2)o1 96423308 VJCCBWFJSLJECP-HNNXBMFYSA-N 341.371 1.935 0 40 EDAB CC(C)Cn1nc(CC(=O)N=c2[nH]cc[nH]2)c2ccccc2c1=O 95480949 QAALMXVPUIJOHF-UHFFFAOYSA-N 325.372 1.379 0 40 EDAB CN1N=C(C(=O)NCc2nccn2CCc2ccccc2)CCC1=O 96459370 CJFHLDPVDAUTBX-UHFFFAOYSA-N 339.399 1.350 0 40 EDAB Cc1ccc(N2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)nn1 96199783 AFSQMPGDVVOEDE-AWEZNQCLSA-N 326.404 1.161 0 40 EDAB C[C@@H](CC(=O)O)NC(=O)CNC(=O)Cc1cccc2ccccc12 95970366 IKVDEFZGEPTSQJ-LBPRGKRZSA-N 328.368 1.478 0 40 EDAB COC[C@@H]1CC2(CCN(S(=O)(=O)N(C)C)CC2)CN1CC1CC1 96220376 XMTVAUQLWRGGSU-HNNXBMFYSA-N 345.509 1.006 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96205882 WZVMMSXPXMKNDN-OAHLLOKOSA-N 340.445 1.571 0 40 EDAB Cc1cc(C(=O)NCC(=O)Nc2nc(C(C)(C)C)cs2)n(C)n1 96192410 YTQZFSDXNAZRMZ-UHFFFAOYSA-N 335.433 1.851 0 40 EDAB Cc1cc(CN2Cc3ncn(C)c3[C@H](C(=O)N3CCCC3)C2)no1 248055683 SIDQOZSCJWSEBP-CQSZACIVSA-N 329.404 1.438 0 40 EDAB CO[C@@H]1C[C@@H](CN(C)Cc2cnn(C)c2)N(C(=O)OC(C)(C)C)C1 583651479 NMMVTOIBEDAQJA-LSDHHAIUSA-N 338.452 1.876 0 40 EDAB C[C@H]1CCO[C@@H]1C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 583615394 LLORZJRKEVSKPO-XPCVCDNBSA-N 336.436 1.530 0 40 EDAB COC[C@@H]1CN(C(=O)CC2(O)CCCCC2)C[C@H]1c1cnn(C)c1 585655692 HFPMWJVLLTVHJI-HOTGVXAUSA-N 335.448 1.694 0 40 EDAB CNc1cnc(C[C@@H]2CCCN(C(=O)c3cnccn3)CC2)cn1 257278564 OCTINAUOWNWPLD-CYBMUJFWSA-N 326.404 1.793 0 40 EDAB CNC(=O)c1cc(C[C@H]2CCCN(C(=O)c3ccccc3)C2)ncn1 257249370 JHYUHYAMNQMVPP-CQSZACIVSA-N 338.411 1.931 0 40 EDAB Cc1ccnc([C@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)n1 257223282 DWQMWLPYJYHHIO-MRXNPFEDSA-N 343.383 1.822 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2Cc2ccccc2OCC(=O)O)n1 257268057 MKAKCDQMMUFHHR-AWEZNQCLSA-N 331.372 1.755 0 40 EDAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)Cn2cc(Cl)cn2)n1 257213268 CGVIDDBAQCHFNS-CQSZACIVSA-N 348.838 1.752 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)cs1 257344321 ZWQPWCQGAKKAJU-CQSZACIVSA-N 348.428 1.350 0 40 EDAB CNc1cccc([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257220026 DJFKPBNUISTAGT-LBPRGKRZSA-N 339.442 1.947 0 40 EDAB CN(C)S(=O)(=O)N1CCC(c2ccnc(-c3ccnn3C)c2)CC1 257284078 PBEAVPARZGASNX-UHFFFAOYSA-N 349.460 1.468 0 40 EDAB CN(CCc1ccccn1)[C@H]1[C@H](N)CC[C@@H](Oc2ccccc2)[C@@H]1O 257240462 HTOSCXNKDRSJIB-ZRNYENFQSA-N 341.455 1.854 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2c(C)noc2C)n1 257344646 ZYDWFDVNUWMPKK-HNNXBMFYSA-N 343.387 1.695 0 40 EDAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cn(C)nc2C)ccn1 257226636 FLLYFVCIWXKYGW-QGZVFWFLSA-N 341.415 1.737 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3cc(CC(C)C)nn3C)CCO2)n1 257252924 JWRVWKSKPGBYLQ-INIZCTEOSA-N 345.447 1.874 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC[C@@H]1O 257211052 BXIJSZAOTQROES-KBPBESRZSA-N 344.333 1.807 0 40 EDAB COc1ccc(CC(=O)N[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)cc1 257235377 GXOSGSCBDHFPES-JFIYKMOQSA-N 329.400 1.623 0 40 EDAB Cc1cc(C(=O)N2CC3(CC[C@H](CNc4ncccn4)CO3)C2)on1 253600656 VRZMKHQNRRCCGE-CYBMUJFWSA-N 343.387 1.506 0 40 EDAB CC(C)OCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 585145921 AVEKIEPGPRAQBQ-KRWDZBQOSA-N 330.428 1.987 0 40 EDAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCNC3)nc2C)c1 257235304 GXGIOCIDNMXRLG-CQSZACIVSA-N 326.400 1.801 0 40 EDAB COC(=O)CCNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1 265533941 VWRDAOSDCPKGDG-UHFFFAOYSA-N 333.388 1.916 0 40 EDAB O=C(COc1cccc(F)c1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1614646993 KJRUDJCEGPALHU-MRXNPFEDSA-N 341.404 1.632 0 40 EDAB CO[C@H](CS(=O)(=O)N=[S@](C)(=O)c1ccccc1)[C@@H]1CCOC1 1616035334 XNAAGGHQALSTPP-MTNMJMNLSA-N 347.458 1.525 0 40 EDAB CN(C)c1nc(CNC(=O)c2ccccc2Cl)nc(N(C)C)n1 575603603 GQTMXCPYWCSVNV-UHFFFAOYSA-N 334.811 1.587 0 40 EDAB CCc1ccc(NC(=O)NCc2nc(OC)nc(N(C)C)n2)cc1 575604149 RHTJKRYXPDLMTA-UHFFFAOYSA-N 330.392 1.830 0 40 EDAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2ccccn2)C1 575406568 YIRWIUOGCRLAGO-MRXNPFEDSA-N 341.415 1.524 0 40 EDAB CCN1CCO[C@@H]2CN(C(=O)c3cn(C)nc3C(F)F)CC[C@@H]2C1 585107929 GGKWUIFFBLAVEG-DGCLKSJQSA-N 342.390 1.541 0 40 EDAB COC(=O)[C@H](NS(=O)(=O)c1cn(C(C)C)cn1)c1cccnc1 585141492 VKCJZLUZHAYETN-CYBMUJFWSA-N 338.389 1.052 0 40 EDAB O=C(COc1ncccn1)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 585275559 CXNDALMCXDXZRE-CVEARBPZSA-N 327.384 1.308 0 40 EDAB Cc1nccn1CC(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1 585276639 GTJPJIXOEKHAQC-SFHVURJKSA-N 329.400 1.024 0 40 EDAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)C2CC2)CCO1 585282912 JFZQMHVGQHBXDF-QGZVFWFLSA-N 336.363 1.088 0 40 EDAB CCCn1nc(C(=O)N2CCC(N(C)C)CC2)c2ccccc2c1=O 44934957 UVJDSISKQIPVMY-UHFFFAOYSA-N 342.443 1.973 0 40 EDAB Cn1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)n1 61368430 ZSGCLPIOTRAKFT-UHFFFAOYSA-N 328.781 1.697 0 40 EDAB CN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN1S(C)(=O)=O 48513742 IBXJPDGLMYVDLA-SNVBAGLBSA-N 336.866 1.784 0 40 EDAB CCc1ccc(C(=O)N2CCC[C@@H](NS(=O)(=O)CC)C2)s1 58014715 MACOKTZVTIZTGN-LLVKDONJSA-N 330.475 1.854 0 40 EDAB NS(=O)(=O)c1cnn(CCC(=O)NCCC2CCCCC2)c1 58344384 GEGDGLDTELZOHG-UHFFFAOYSA-N 328.438 1.007 0 40 EDAB CC(C)N(CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 58194202 CMRLFAPMWFHFMY-HNNXBMFYSA-N 342.436 1.686 0 40 EDAB CC(C)[C@@H](NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C(N)=O 69586735 OIJIYZJVHPIAEJ-CQSZACIVSA-N 341.452 1.650 0 40 EDAB Cc1noc(CCCNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)n1 69874917 LOIJVCMRTZGMIK-NSHDSACASA-N 340.449 1.374 0 40 EDAB COc1ccccc1C(=O)N[C@@H](C)Cn1nc2c(cc1=O)CCCC2 72325021 UUZBKBJGKCPXOZ-ZDUSSCGKSA-N 341.411 1.949 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)C12CCCCC2 76042204 SQJSHRHGDQHHHT-OLZOCXBDSA-N 332.466 1.122 0 40 EDAB NC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)c(O)c1 95978869 GYHQPTBKFRYRFC-WCBMZHEXSA-N 327.178 1.539 0 40 EDAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(CC(N)=O)C2)n1 1615526234 QHDNZNZOACEGCM-NSHDSACASA-N 332.433 1.568 0 40 EDAB COC(=O)c1ccoc1CN1CCc2cc(S(N)(=O)=O)ccc21 12512142 VBBCWRJCHBGTCE-UHFFFAOYSA-N 336.369 1.276 0 40 EDAB Cc1c(-c2cc(C(=O)NCCSc3nccn3C)no2)cnn1C 19554138 JRMBGQJKZIOPFR-UHFFFAOYSA-N 346.416 1.639 0 40 EDAB Cc1ncc(C(=O)N2CCO[C@@H](C(=O)Nc3ccccc3)C2)c(C)n1 19747635 NNXABVZXVVQLDT-MRXNPFEDSA-N 340.383 1.573 0 40 EDAB CCc1nn(CC(=O)N2CCCC2)c(=O)c2cc3sccc3n12 5109068 PNXCSXIXOAPMLF-UHFFFAOYSA-N 330.413 1.896 0 40 EDAB COCCNC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccco1)CC2=O 49551877 XXLMGOQFXNFCMV-JTQLQIEISA-N 330.340 1.257 0 40 EDAB CC(C)n1cc(C(=O)N2CCC(c3ccnc4ncnn34)CC2)cn1 12118805 DACZZAXXFNLNAX-UHFFFAOYSA-N 339.403 1.922 0 40 EDAB Cc1nc(N2C[C@@H]3CN(C(=O)[C@@H]4CC4(C)C)C[C@H]3C2)nc(O)c1F 1888844508 BSFOMYBQCGFNKF-SRVKXCTJSA-N 334.395 1.570 0 40 EDAB O=C(c1ccc2nccn2n1)N1CCN(c2ccccc2F)CC1 1889205337 BFKWVWJUHGLXEW-UHFFFAOYSA-N 325.347 1.831 0 40 EDAB CCCn1c(C)cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c1C 14110329 UFHBDXHQCNFKGU-UHFFFAOYSA-N 327.388 1.841 0 40 EDAB COc1ccccc1CCNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 25815359 ABYHXHQHZOTNDT-DYVFJYSZSA-N 334.441 1.808 0 40 EDAB CN(C)Cc1cnc2n1CCN(C(=O)c1cc(C3CC3)on1)CC2 1565543050 MAYQPXQEUCFKLX-UHFFFAOYSA-N 329.404 1.509 0 40 EDAB O=C(CCc1cncnc1)N1CCC[C@]2(C[C@H](n3ccnc3)CO2)C1 1565549101 PUXRDNLWHAPHNF-WMZOPIPTSA-N 341.415 1.629 0 40 EDAB CCCNC(=O)Cn1c(-n2nc(C)cc2C)nc(CCC)cc1=O 5254798 XGXPFLMXPZEGSM-UHFFFAOYSA-N 331.420 1.525 0 40 EDAB CCN=c1ccnc(N2CCN(Cc3nc(C(C)C)no3)CC2)[nH]1 2086884495 AOMMZSXWHUQATO-UHFFFAOYSA-N 331.424 1.159 0 40 EDAB Cc1cnc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)nc1 2086856828 QBZGTJFOGVSUNT-LBPRGKRZSA-N 326.347 1.248 0 40 EDAB Cc1cc(C)n([C@H](CNC(=O)N2CCNC2=O)c2cccs2)n1 575611028 SXJVZURSOYZROG-GFCCVEGCSA-N 333.417 1.886 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1cncc(C2CC2)c1 606440835 VAKLMBASQHYZNN-UHFFFAOYSA-N 335.363 1.871 0 40 EDAB NC(=O)c1cc(N2CCC(Oc3ccn4nccc4n3)CC2)ccn1 2298071694 ZQXPIVIMJSDNMW-UHFFFAOYSA-N 338.371 1.271 0 40 EDAB O=C1NC2=C(C(=O)N(CCO)C2)[C@@H](c2ccc(Cl)c(Cl)c2)N1 12346964 KLSSHWGSEMQYEW-GFCCVEGCSA-N 342.182 1.436 0 40 EDAB O=C1C[C@@H](CNS(=O)(=O)c2cccnc2)CN1c1ccccc1 8808606 APNSDGNYIDCUOU-ZDUSSCGKSA-N 331.397 1.413 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1ccc(CN2CCOCC2)cc1 30015464 UBEAFJKMPZBKQA-UHFFFAOYSA-N 342.443 1.799 0 40 EDAB Nc1nccnc1C(=O)NCc1cccc(OCC(F)(F)F)c1 40111881 SQSWJFRACKQDQV-UHFFFAOYSA-N 326.278 1.930 0 40 EDAB O=S(=O)(NCCCOC[C@H]1CCCO1)c1c(F)cccc1F 30498991 PIJNAXBCZBQUKQ-LLVKDONJSA-N 335.372 1.829 0 40 EDAB CCOc1ccc(CN(C)C(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 30550557 UJVQWGFENCEXCU-OAHLLOKOSA-N 340.445 1.468 0 40 EDAB CN1C(=O)[C@H](NC(=O)C(=O)NCc2cccc(F)c2)c2ccccc21 40266529 BLSMOHGYSWXAAS-OAHLLOKOSA-N 341.342 1.276 0 40 EDAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 40540105 LVLOKLWYLDWRFU-LSDHHAIUSA-N 333.367 1.200 0 40 EDAB Cc1cc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc(C(C)C)n1 40512396 GYTJXSIJXAMSOZ-UHFFFAOYSA-N 338.419 1.901 0 40 EDAB Cn1cc(C(=O)Cn2cccc(C(F)(F)F)c2=O)cc1C(N)=O 31851305 IYNHUTUIQXGKGY-UHFFFAOYSA-N 327.262 1.187 0 40 EDAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)N(C)CC1CC1 69658248 UEHLCBIEIDXRLM-GFCCVEGCSA-N 339.461 1.195 0 40 EDAB c1ccc(-n2nnnc2NC[C@@]2(N3CCOCC3)CCSC2)cc1 29625778 MEJDLULXRLGPCV-INIZCTEOSA-N 346.460 1.282 0 40 EDAB Cc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)NC1CCCCC1 7673458 OSSUFGDLSDLOBJ-NSHDSACASA-N 326.418 1.599 0 40 EDAB Cc1cc(C)c(CNC(=O)C[C@H]2OC(=O)c3ccccc32)c(=O)[nH]1 32769057 NDVRGAUTYSRTCI-OAHLLOKOSA-N 326.352 1.910 0 40 EDAB COc1ccc(C)cc1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102389731 RJAZHXSHWAACSA-CHWSQXEVSA-N 328.368 1.893 0 40 EDAB COc1cccc(C(=O)N(C)C)c1OCCCS(=O)(=O)N(C)C 70012684 HJAMNLGJNGMFCM-UHFFFAOYSA-N 344.433 1.057 0 40 EDAB Cc1ccc(NC(=O)CN(C)Cc2nc(O)c3cnn(C)c3n2)cc1 52798612 WUHQOOBIFGQKMB-UHFFFAOYSA-N 340.387 1.448 0 40 EDAB CCNC(=O)c1ccc(CNS(=O)(=O)N2CCCCCC2)cc1 56061548 IZBIXVAFUXRZRD-UHFFFAOYSA-N 339.461 1.647 0 40 EDAB Cc1nc(CN2CC[C@]3(COCCN([C@H]4CCOC4)C3)C2)cs1 107781471 DSQPXAREROMCBL-IRXDYDNUSA-N 337.489 1.765 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Br)o2)C[C@@H]1N1CCOCC1 76054444 BHBQLRAZWIXVOE-MNOVXSKESA-N 343.221 1.835 0 40 EDAB Cc1ccccc1NC(=O)COC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646824 POXAKRISOWOOGE-KNYNKSNXSA-N 329.352 1.674 0 40 EDAB Cc1cccc2c1C(=O)N(C)[C@@H](c1cnc(N3CCOCC3)nc1)N2 69347829 IQQRYCLMIHAYHE-INIZCTEOSA-N 339.399 1.818 0 40 EDAB Cc1nc(SCC(=O)NCC(C)(C)N2CCOCC2)oc1C 47558728 PSNNNJUURXYEEC-UHFFFAOYSA-N 327.450 1.611 0 40 EDAB O=C(COCc1nc2ccccc2s1)NCCCN1CCCC1=O 22626323 IMKILIUPRBTDNN-UHFFFAOYSA-N 347.440 1.942 0 40 EDAB CCNC(=O)N1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1 103943644 DNNITCKJDHFXBI-UHFFFAOYSA-N 329.360 1.224 0 40 EDAB COCCn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cn1 69350858 YXAVBICOFZDERV-LBPRGKRZSA-N 346.362 1.660 0 40 EDAB C[C@H](NC(=O)CN1CCN(CCO)CC1)c1ccccc1Cl 22943270 JWRDPJLMHTXCFM-ZDUSSCGKSA-N 325.840 1.127 0 40 EDAB CC[C@H]1CN(Cc2nccn2CC(F)(F)F)CCN1CCOC 69739250 QWLVFTRPSGACLM-ZDUSSCGKSA-N 334.386 1.988 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)NC[C@@H]1CN(C)CCO1 69779925 JOTAQEMKDINKEZ-SOUVJXGZSA-N 335.448 1.181 0 40 EDAB O=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1cnn(-c2ccccc2)n1 89857643 WBDOMUVBUFJQHX-UHFFFAOYSA-N 337.383 1.878 0 40 EDAB CCc1c(C)nn2c(O)cc([C@@H]3CCN(C(=O)[C@H]4CCCO4)C3)nc12 100147071 OKPNFFVVVUAYQO-IUODEOHRSA-N 344.415 1.801 0 40 EDAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCC(=O)N(C)C 24378023 LSKLRBCSXAOTGG-UHFFFAOYSA-N 338.770 1.791 0 40 EDAB O=C(COC(=O)c1ccc2c(c1)OCCO2)NCCc1ccccc1 3239404 RRWHQPHUNIVKCP-UHFFFAOYSA-N 341.363 1.974 0 40 EDAB CCc1ccc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 1275028 QMGUESXUEKDXPD-UHFFFAOYSA-N 325.372 1.528 0 40 EDAB CCc1ccc([C@@H](NC(=O)CN(C)S(C)(=O)=O)C(C)(C)C)o1 69743590 RQPDXOAMCWWJNE-CQSZACIVSA-N 330.450 1.937 0 40 EDAB CNC(=O)c1ccc(C)c(NC(=O)c2ccc(OCC(N)=O)cc2)c1 24922368 LJUVUTJVAKZCIJ-UHFFFAOYSA-N 341.367 1.471 0 40 EDAB CCOc1cccc(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)n1 106487692 OMPGJZJOWSUNOX-UHFFFAOYSA-N 335.795 1.544 0 40 EDAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cccc3cn[nH]c23)c1 25239750 FGQWJRDEABFPOG-UHFFFAOYSA-N 344.396 1.864 0 40 EDAB COC(=O)c1ccc(NC(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 48009170 HYOSCEIYJJCUHN-UHFFFAOYSA-N 345.399 1.996 0 40 EDAB O=C(Cc1cccnc1)N1CCC[C@]2(CCN([C@H]3CCOC3)C2)C1 107191953 ZWHQRVWQUIRWGC-PKOBYXMFSA-N 329.444 1.728 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(C[C@H]2CCOC2)C1 107354282 HDZZWPIFIUGPEN-UKRRQHHQSA-N 334.420 1.406 0 40 EDAB CC(C)(C)c1nnc(NC(=O)NCC2(C(N)=O)CCOCC2)s1 56736666 QEWJUDLSIFJZNT-UHFFFAOYSA-N 341.437 1.239 0 40 EDAB Cc1cccc(-n2ncc(C(=O)N3CCC[C@H](C(N)=O)C3)c2C)c1 44022830 LGEFGILPMIRVKN-AWEZNQCLSA-N 326.400 1.827 0 40 EDAB Cn1cccc1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 26467894 CCOHIMCZEOVWCI-UHFFFAOYSA-N 341.411 1.754 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-n2cccn2)nc1 44248247 GMDUPBMAFWDABU-ZDUSSCGKSA-N 349.416 1.020 0 40 EDAB Cc1n[nH]c([C@H]2CN(Cc3cc(=O)n4cccc(C)c4n3)CCO2)n1 76048145 BNULPHLCEAONFZ-CQSZACIVSA-N 340.387 1.003 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)Oc2cc(C)nc3ncnn23)cc1 2057760 YNJIZLGFFWYIGH-UHFFFAOYSA-N 347.356 1.159 0 40 EDAB CC[C@@](C)(NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)C(=O)OC 58181752 HFMFQRSHEIUWKU-KPZWWZAWSA-N 348.399 1.649 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)NCCCN1CCCC1=O 44890897 QWXUNLBATSQBGU-UHFFFAOYSA-N 347.415 1.612 0 40 EDAB COc1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)c(O)c1 44894671 WDTSYSKOBCIVFA-UHFFFAOYSA-N 327.384 1.754 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1Cc1cnn(-c2ccccc2)n1 44948823 PBUPDKUJSXMUAV-MRXNPFEDSA-N 349.460 1.171 0 40 EDAB Cn1ccnc1[C@](O)(CCNC(=O)Nc1cccnc1)C(F)(F)F 44968469 BUZXQHSKLUXHSM-CYBMUJFWSA-N 343.309 1.777 0 40 EDAB CC(C)N1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 48290648 DYVABLWDRGRLDM-OAHLLOKOSA-N 332.452 1.181 0 40 EDAB CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)(F)F)cc2)C1=O 58364077 NZWPPBQFVNRYQK-ZDUSSCGKSA-N 345.277 1.098 0 40 EDAB CCCS(=O)(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 58377908 NPIBMBPKOPKIPN-ZDUSSCGKSA-N 329.397 1.761 0 40 EDAB COC(=O)N1CCC(NC(=O)NCc2cccc(NC(C)=O)c2)CC1 58357694 LHIVTPNHFJNYMP-UHFFFAOYSA-N 348.403 1.675 0 40 EDAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCOCC1)cn2CC(=O)O 36357263 FTTPTSSVBYUAFF-MRXNPFEDSA-N 348.355 1.192 0 40 EDAB CN(C)[C@H](CNC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccco1 48380373 PXVTUCIIYBLKFG-HUUCEWRRSA-N 343.431 1.705 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 8331107 RQDJGCXBCKEAKO-UHFFFAOYSA-N 342.380 1.923 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1nnc2n1CCC2 69439383 RSSLQOWTNYJNTK-MEDUHNTESA-N 328.372 1.411 0 40 EDAB CCCCn1nnnc1CN1CCN([C@@H](C)c2nc(CC)no2)CC1 69489545 RKOGDQZCPVBMIA-ZDUSSCGKSA-N 348.455 1.297 0 40 EDAB COc1cccc(Nc2nc(N3CCOCC3)nc3c2cnn3C)c1 17148942 PVQFMGYIWGTZOO-UHFFFAOYSA-N 340.387 1.952 0 40 EDAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 5059355 YHOSTTAIQXRCJA-GFCCVEGCSA-N 326.418 1.614 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)c3scnc3C)CC2)n1 69564539 BASTUPBQGLQJGJ-UHFFFAOYSA-N 347.444 1.911 0 40 EDAB C[C@@H](COc1cccc(F)c1)NC[C@H]1CNc2c(C(N)=O)cnn2C1 69849013 WNHYAVLDSZMNBA-RYUDHWBXSA-N 347.394 1.220 0 40 EDAB C[C@H](NC(=O)[C@H](C)N1CCN(CCO)CC1)c1cc2ccccc2o1 69899474 JKENTGUPIGOPQH-GJZGRUSLSA-N 345.443 1.608 0 40 EDAB Cn1ccc(C(=O)N2CCCC[C@@H]2C(=O)NC2CCCC2)cc1=O 65577915 WCKBDXQNYWHHLK-OAHLLOKOSA-N 331.416 1.439 0 40 EDAB COc1ccc(S(=O)(=O)NC(=O)c2ccc(F)cc2)cc1OC 65593505 GSWMQFBQEAIIKW-UHFFFAOYSA-N 339.344 1.962 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 69952168 SEGIDQODZJIDPO-QGZVFWFLSA-N 341.459 1.707 0 40 EDAB CC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 14166408 IKDKVTUAPSXLLK-UHFFFAOYSA-N 336.457 1.855 0 40 EDAB COC(=O)[C@H](CNC(=O)Nc1nncs1)Cc1ccc(O)cc1 65610983 DGSMSTNKNHASJH-JTQLQIEISA-N 336.373 1.397 0 40 EDAB CCN1C[C@H](C(=O)N(C)Cc2nc3ccccc3n2CC)CC1=O 65765013 PIBQQWKKGDTAFZ-CYBMUJFWSA-N 328.416 1.883 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCN(c2nccs2)CC1 14350693 OLLYEJAXJARKFD-UHFFFAOYSA-N 331.397 1.877 0 40 EDAB CN(C)C(=O)[C@H]1CSCN1C(=O)c1cncc(Br)c1 66657676 MMEUTKMXDHTDFC-SNVBAGLBSA-N 344.234 1.447 0 40 EDAB COC(=O)c1cc2cc(Cn3cnc4c(cnn4C)c3=O)ccc2o1 172694558 VFOFZGXDEPLYCE-UHFFFAOYSA-N 338.323 1.711 0 40 EDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)C1=NN(C)C(=O)CC1 22622496 AJUMTQRIOCARLI-UHFFFAOYSA-N 331.372 1.415 0 40 EDAB COc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4942343 CHRPYWHMAGFTPE-FFBJCKDISA-N 345.351 1.375 0 40 EDAB CCn1nc(C(=O)Nc2ccc(C(N)=O)cc2)c2ccccc2c1=O 6949303 NWSCPWZXCUIDSF-UHFFFAOYSA-N 336.351 1.768 0 40 EDAB CC1CCN(CCCNC(=O)Cn2cnc3ccccc3c2=O)CC1 7077954 YUZCONJTNDPMHN-UHFFFAOYSA-N 342.443 1.635 0 40 EDAB CC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209403 ZHOYIKNDGNRCJS-TZMCWYRMSA-N 338.429 1.589 0 40 EDAB C[C@@H](C(=O)NCCOc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 8072665 CILAUFMHMLKRKE-CWRNSKLLSA-N 342.395 1.521 0 40 EDAB CC(C)(C)c1nc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)no1 76060233 FUQGTCHMNVDCLI-JTQLQIEISA-N 332.408 1.569 0 40 EDAB C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)NC[C@H]1CCCO1 9376877 SFOMQUBVDLNLKB-TZMCWYRMSA-N 347.444 1.497 0 40 EDAB O=C(CCc1nc[nH]n1)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 78737438 JQIFMKSBVSTZNT-LBPRGKRZSA-N 349.385 1.796 0 40 EDAB CCN1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 19891038 NXMCBVUXBCIPNV-UHFFFAOYSA-N 341.463 1.952 0 40 EDAB CCc1ncn(C)c1NC(=O)Cn1nc(C)c2ccccc2c1=O 78870133 JPEYZANMDYHYCI-UHFFFAOYSA-N 325.372 1.640 0 40 EDAB CN1CCCN(C(=O)C[C@H]2CCS(=O)(=O)C2)c2cc(F)ccc21 96418820 GNLMWKFBFDUWMH-GFCCVEGCSA-N 340.420 1.823 0 40 EDAB Cc1nn(CCO)c(C)c1CN[C@@H]1CCc2nc(C(C)C)nn2C1 71877279 SVAXQVKWYYFMHV-CQSZACIVSA-N 332.452 1.312 0 40 EDAB CN(C)C(=O)Cc1nc(CN2CCC[C@@H]2Cn2cccn2)cs1 71878585 FIBNBBVGQDJXQA-CQSZACIVSA-N 333.461 1.635 0 40 EDAB CCc1nnc(S(=O)(=O)Cc2cc(Cl)c3c(c2)OCO3)n1C 71888598 WXZQTFOISZKTPG-UHFFFAOYSA-N 343.792 1.734 0 40 EDAB Cn1cnnc1S[C@@H](C(N)=O)c1ccc(Br)cc1 71857372 KYHHLEJZORYWJK-SECBINFHSA-N 327.207 1.896 0 40 EDAB NC(=O)CN1CCCN(C(=O)c2csc(-c3ccco3)n2)CC1 71829332 ZYXJRYAFCRTNBB-UHFFFAOYSA-N 334.401 1.036 0 40 EDAB C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCS(N)(=O)=O 71886001 REYCBLPUHZVJFY-QMMMGPOBSA-N 339.244 1.577 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)C2)n1 72235550 HELHYFNHDFUZLJ-OAGGEKHMSA-N 328.420 1.596 0 40 EDAB CC[C@@H](C)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 72297796 TYGJMAWPRHFPNF-OAHLLOKOSA-N 339.480 1.110 0 40 EDAB COc1ccccc1CCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 72269039 OIYHGJJQXZMKQO-DLBZAZTESA-N 332.444 1.685 0 40 EDAB Cc1noc(CCCC(=O)N2CCC[C@H](n3nc(C)nc3C)C2)n1 72235427 VIFAMWNHOZWEGB-AWEZNQCLSA-N 332.408 1.773 0 40 EDAB CC(C)(CNC(=O)NCc1ccc(Br)cc1)C(N)=O 72270133 DDYKXIHKIPDWTO-UHFFFAOYSA-N 328.210 1.760 0 40 EDAB CC[S@](=O)CCNC(=O)Cc1c(C)nn(-c2ccccc2)c1C 72283742 UGASXGVTOZNABE-HSZRJFAPSA-N 333.457 1.916 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNc2cc(N3CCC[C@@H]3CO)ncn2)n1 72276134 DQINBVRGGJZVOE-CZUORRHYSA-N 344.463 1.999 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 72280844 OQLIKKSUAMQGIF-LDYMZIIASA-N 347.341 1.252 0 40 EDAB CC[C@@H]1CN(C(=O)NCCCCN2CCN(CC)CC2)C[C@H](C)O1 72277823 YYPYAVPLUBXZPL-DLBZAZTESA-N 340.512 1.613 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1ccccc1-n1cnnn1)C2 72279879 WKNVHNVFQGQXQH-UHFFFAOYSA-N 338.375 1.033 0 40 EDAB Cc1c(C(=O)NCC(C)(C)N2CCN(C)CC2)[nH]c2c1C(=O)CCC2 72283831 PKRCIQCYNQRJBE-UHFFFAOYSA-N 346.475 1.598 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H]3C[C@H]3C(=O)O)cc2)n1 97017639 MLVQUPVYSSLAON-JKSUJKDBSA-N 327.384 1.869 0 40 EDAB O=S(=O)(NCCc1ccc(Br)s1)C1COC1 97105324 MZFYATJSKLJEOF-UHFFFAOYSA-N 326.237 1.371 0 40 EDAB CC(=O)N1CCC(S(=O)(=O)NCCOc2ccc(C)cc2)CC1 72313154 ACYUMVBFDRKFEJ-UHFFFAOYSA-N 340.445 1.304 0 40 EDAB CN(C(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)C1CCCCC1 20037979 NDINFUSRRDDOAR-CYBMUJFWSA-N 331.482 1.296 0 40 EDAB CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H]1c1ccccc1 95347319 PKGZOTYCOSRBMA-CABCVRRESA-N 338.429 1.706 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)COC(=O)[C@H]3C[C@H]3C)CC2)cc1 95349098 ZBVOPOHKDUEODU-DYVFJYSZSA-N 344.411 1.737 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)ccc1=O 84759110 YTZXHMDIJSRHCQ-ZDUSSCGKSA-N 343.387 1.891 0 40 EDAB C[C@H](C(=O)N1CCO[C@]2(CCc3ccccc32)C1)N1CCN(C)CC1 95435602 WIRYVSAEBUFLFB-OXQOHEQNSA-N 343.471 1.323 0 40 EDAB Cn1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cn1 95448063 NBLYJPCWMPYWGV-GFCCVEGCSA-N 345.378 1.283 0 40 EDAB CN(C)c1nc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 95436305 ONRMTIMEBVEDQR-XQQFMLRXSA-N 336.461 1.966 0 40 EDAB C[C@H](C(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1)n1cccn1 95965348 LBBGHVPGVFQCSL-ZBFHGGJFSA-N 327.384 1.945 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCN(CCOC(C)C)CC3)c2n1 74390674 NBNQAJLRXWJYJU-UHFFFAOYSA-N 331.420 1.221 0 40 EDAB CCc1n[nH]c([C@H]2CN([C@@H](C)C(=O)Nc3nccs3)CCO2)n1 89289809 HTYIGXGPDHIBJN-VHSXEESVSA-N 336.421 1.224 0 40 EDAB CN(Cc1ccoc1)C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 89363784 NZUUBAWMZFGBGV-INIZCTEOSA-N 328.368 1.666 0 40 EDAB COc1ccc([C@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(F)cc2)cc1 89438890 VJNROZWYUKVPSW-JKSUJKDBSA-N 343.358 1.721 0 40 EDAB C[C@@H]1COC[C@@H](C)N1CC(=O)NC(=O)NCCc1cccs1 75145451 SHJIOQUETZUMJE-VXGBXAGGSA-N 325.434 1.226 0 40 EDAB Cc1cccc(-c2ccc(CNC(=O)Cn3ccc(=O)[nH]c3=O)cc2)c1 75140824 RBGMBAYZVXTTQT-UHFFFAOYSA-N 349.390 1.828 0 40 EDAB Cc1cccc(-c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)[nH]2)c1 75117498 VGDMSJLGLASYFQ-CYBMUJFWSA-N 346.408 1.267 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75124266 YAGQDPJTUGDDSX-WPRPVWTQSA-N 334.294 1.916 0 40 EDAB COCCc1noc(CN(C)Cc2cc(=O)n3c(C)csc3n2)n1 89708866 JZPJTIJUDREUGO-UHFFFAOYSA-N 349.416 1.268 0 40 EDAB C[C@@H](C(=O)c1ccc(Cl)cc1)n1cnc2c1c(=O)[nH]c(=O)n2C 27525203 CIKMTHRIOPVLAL-QMMMGPOBSA-N 332.747 1.521 0 40 EDAB CS(=O)(=O)N1CC[C@]2(COc3ccc(-c4cncnc4)cc32)C1 306133805 MWSRJFSRXXERBO-MRXNPFEDSA-N 331.397 1.439 0 40 EDAB Cn1cc(CN2CC3(C[C@H](CCOc4cnccn4)CCO3)C2)cn1 306125799 DCRJKSHIUUHYFR-OAHLLOKOSA-N 343.431 1.660 0 40 EDAB CC(C)(C)NC(=O)c1cnc(NS(=O)(=O)c2ccccc2)nc1 408534605 VRPXHTHVUOLCCX-UHFFFAOYSA-N 334.401 1.806 0 40 EDAB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(N)=O)c1 2153946 JGXHIHIXFGOQGH-KFKAGJAMSA-N 348.443 1.857 0 40 EDAB biogenic O=C(CCn1cnnn1)N1CCC(O)(c2ccc(Cl)cc2)CC1 524734383 ZXAJANAJIIISSE-UHFFFAOYSA-N 335.795 1.227 0 40 EDAB Cc1nc(Nc2ccccc2)cc([C@@H]2CN(S(C)(=O)=O)CCO2)n1 72387113 BLHHKIXCPDUFAX-HNNXBMFYSA-N 348.428 1.862 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(CN)CO)cc1 218047508 JPTPFODCTOUOQV-RCCFBDPRSA-N 331.437 1.872 0 40 EDAB COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)C3CC3)n2)cc1 72324167 AQIGKFVCIVMDMS-LBPRGKRZSA-N 327.384 1.834 0 40 EDAB CC[C@@H](NC(=O)NC1Cc2ccccc2C1)C(=O)N1CCOCC1 186615990 QPEFUJIUUSAPJL-MRXNPFEDSA-N 331.416 1.090 0 40 EDAB CCn1nnc2cc(C(=O)N3CCC(c4nncn4C)CC3)ccc21 30859117 ISMXQRXOULMVTD-UHFFFAOYSA-N 339.403 1.600 0 40 EDAB Cc1ccccc1CC(=O)NC1CCN(C(=O)c2cnccn2)CC1 75058746 UBBKERCWHYMUKJ-UHFFFAOYSA-N 338.411 1.749 0 40 EDAB CNc1ncc2c(n1)CN(CC1(N3CCOCC3)CCCCC1)C2=O 41122989 FECQINFDMWDOMD-UHFFFAOYSA-N 345.447 1.509 0 40 EDAB Cc1ccnn1Cc1nnc(SCC(=O)Nc2nccs2)o1 73690532 VZNRVODJXVXUHF-UHFFFAOYSA-N 336.402 1.810 0 40 EDAB CNC(=O)CN1CCC(NC(=O)NCc2cc3ccccc3o2)CC1 61987961 GKPOZFZHYCUHHK-UHFFFAOYSA-N 344.415 1.442 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 96158366 ZHDIZUPYVNLOJO-OAHLLOKOSA-N 340.424 1.400 0 40 EDAB O=C(OCCCn1ccccc1=O)c1cnn(-c2ccc(F)cc2)n1 96416174 HODBIMBVUGAPDT-UHFFFAOYSA-N 342.330 1.815 0 40 EDAB Cc1ccc2c(n1)N(Cc1cccnc1)CCN(S(C)(=O)=O)C2 96199095 NTHHYGMDYOTOQB-UHFFFAOYSA-N 332.429 1.567 0 40 EDAB O=C(NC1CCN(c2ccccn2)CC1)N1CCN2CCCC[C@H]2C1 96404194 SBQFUVOZGKAUCK-KRWDZBQOSA-N 343.475 1.930 0 40 EDAB O=c1ccc2c(n1Cc1ccncc1)CC[C@H](N[C@H]1CCOC1)C2 96196617 VENXNQZZSMTCES-IRXDYDNUSA-N 325.412 1.527 0 40 EDAB Cc1ccc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)n1C 96417167 COHNNRNFHWEPIL-CYBMUJFWSA-N 325.368 1.791 0 40 EDAB CCC(=O)N1CCOC[C@]2(CC[C@H](CN(C)Cc3cccnc3)O2)C1 96160649 VYPVWYRKNIOFRU-MJGOQNOKSA-N 347.459 1.700 0 40 EDAB CN(C)c1cc(NCc2cn3c(n2)CN(C(=O)C2CC2)CC3)ncn1 96197536 IANYDHWIDZAULE-UHFFFAOYSA-N 341.419 1.103 0 40 EDAB Cc1nc(NC[C@](C)(O)CN2CCOCC2)ccc1Br 96501988 DNGGUMNEBWQYRW-AWEZNQCLSA-N 344.253 1.648 0 40 EDAB O=C(c1ccc[nH]1)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 96245339 RLAVPXLIACCCDY-HIFRSBDPSA-N 327.359 1.884 0 40 EDAB CN(C)c1nc2c(cc1C(=O)O)CCN(Cc1nccn1C)CC2 96067477 YANZQSCFFSAVCJ-UHFFFAOYSA-N 329.404 1.180 0 40 EDAB O=C(NCC1CC1)[C@@H]1COC2(CCN(Cc3cccnc3)CC2)C1 96224880 DAYTVMOHUMQPIA-KRWDZBQOSA-N 329.444 1.979 0 40 EDAB Cc1ccc(CN2C[C@H]3C[C@H](CNC(=O)c4cccn4C)O[C@H]3C2)o1 96056666 DBHQMWVDYDNHMC-KYJSFNMBSA-N 343.427 1.946 0 40 EDAB COCC[C@H]1CO[C@]2(CCCN(C(=O)c3cnn4cccnc34)C2)C1 96073414 KRHZZEMRTDGFIN-RDTXWAMCSA-N 344.415 1.777 0 40 EDAB CCc1nnc2n1C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)CC2 97199558 HBVGVOZAUKEFJG-QAPCUYQASA-N 339.443 1.765 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCC2(CCN(C(=O)c3ccco3)CC2)O1 96061187 AKUDMAGHXBPIOF-AWEZNQCLSA-N 332.400 1.960 0 40 EDAB CN(C)Cc1cc(=O)n2c(n1)CN(C(=O)Cc1ccsc1)CCC2 96197545 VQEJJMPKCCDFOC-UHFFFAOYSA-N 346.456 1.341 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2C(=O)C2CCOCC2)N1Cc1cccnc1 96186367 ZVHKLQDNXFKBIZ-IRXDYDNUSA-N 343.427 1.600 0 40 EDAB O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 583620374 BNOSERNNICRGET-XHSDSOJGSA-N 342.399 1.474 0 40 EDAB COc1ncccc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 583620985 AANBCJNQJCZHQT-HIFRSBDPSA-N 326.356 1.187 0 40 EDAB CCc1cccc(OC[C@@H](O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 245283744 OODDJRODUQQROE-GJZGRUSLSA-N 327.446 1.108 0 40 EDAB CCn1cc(CN2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1 257208501 BMLBRWIUMFOSRK-ZDUSSCGKSA-N 337.449 1.409 0 40 EDAB Cc1nccc(CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)n1 257211068 BXKFWBXHWOKQFL-HZPDHXFCSA-N 329.356 1.107 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](Cc2nccnc2N)C1 257325909 WUYUZIUFNVPYOC-ZDUSSCGKSA-N 329.404 1.687 0 40 EDAB Cc1nccc(CNC(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)n1 252483715 FHHOKFFMCPVJJV-HOTGVXAUSA-N 330.363 1.942 0 40 EDAB C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1 585085918 WGTNZIQQZAXZSK-XPKDYRNWSA-N 344.459 1.840 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2nnc(C(C)C)o2)n1 257218170 DCDGLGNMRAEOTL-GFCCVEGCSA-N 333.392 1.757 0 40 EDAB CCn1cc(C(=O)N2CCO[C@@H](c3nccnc3NC)C2)c(C)n1 257274605 NLVAKXXYLMNTCO-CYBMUJFWSA-N 330.392 1.257 0 40 EDAB C[C@H](NS(=O)(=O)c1cc(F)cc(Cl)c1)c1nnc(O)n1C 585114466 BNRFLFFCVBHXCN-LURJTMIESA-N 334.760 1.353 0 40 EDAB CC(C)n1cc(S(=O)(=O)N2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)cn1 585129442 JRBHMJSCBPEGCJ-IJLUTSLNSA-N 328.438 1.092 0 40 EDAB CN1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1CO 585136756 RHKWASGKLWCCPD-STQMWFEESA-N 349.258 1.341 0 40 EDAB O=C(Cc1cccs1)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 257214309 CLNLZLPBCAQDBE-KRWDZBQOSA-N 349.431 1.972 0 40 EDAB c1ncc(N2CCC[C@@H](Cc3ccc(N4CCOCC4)nn3)C2)cn1 257298141 RKJQNHTWFBTZGW-HNNXBMFYSA-N 340.431 1.562 0 40 EDAB Cc1ccnc([C@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1 257327387 XBDFHALYSMYVOS-CQSZACIVSA-N 332.404 1.088 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 257297033 RFLYQGSOBUUJBD-CQSZACIVSA-N 334.420 1.265 0 40 EDAB Cc1ccsc1CN1Cc2cncn2[C@H](C(=O)N2CCCO2)C1 253599015 KBJPGJPGEOBINF-AWEZNQCLSA-N 332.429 1.974 0 40 EDAB O=C(NCc1ccccn1)[C@H]1COCC(=O)N1Cc1cccs1 85472552 ZWRHROWXIAKGIO-CQSZACIVSA-N 331.397 1.187 0 40 EDAB COC[C@H](NC(=O)N1CCO[C@H](c2cnn(C)c2)C1)c1ccc(C)o1 267648495 VTVGBYMUWQAZHM-HOCLYGCPSA-N 348.403 1.792 0 40 EDAB CON(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1615606017 RMLKNEBPPKSBCY-UHFFFAOYSA-N 340.401 1.276 0 40 EDAB CCOC(=O)CCNS(=O)(=O)c1nc(C)oc1-c1ccccc1 1616036620 ZDVSTCQGOKIVAU-UHFFFAOYSA-N 338.385 1.882 0 40 EDAB COCC(=O)NC1CN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 284652897 VMGBYPHXMSRDNN-UHFFFAOYSA-N 346.412 1.789 0 40 EDAB O=C(O)[C@@H](NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCO1 630424628 XFGZSKZBHBAVHC-DGAVXFQQSA-N 325.386 1.094 0 40 EDAB Cn1ccc(CC(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2)n1 585098160 VHTNEKGKJDWMBC-INIZCTEOSA-N 342.447 1.056 0 40 EDAB CO[C@H]1CCN(CC(=O)Nc2nonc2C)C[C@H]1Cc1ccccc1 585277062 RTDWNVUFXIYCGX-CVEARBPZSA-N 344.415 1.896 0 40 EDAB CO[C@H]1CN(C(=O)CN2CCCC2=O)CC[C@@H]1Cc1ccc(F)cc1 585278266 AWASPGJVZPQWES-WBVHZDCISA-N 348.418 1.854 0 40 EDAB CO[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@]12C[C@H](c1ccccc1)CO2 585287705 BQRPKRGVHYWNIS-HDMKZQKVSA-N 327.384 1.823 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H]1Cn1ccnn1 671630591 RRAIEVXCMJSJMD-JTQLQIEISA-N 328.298 1.185 0 40 EDAB CCCc1c(C(=O)N2CC[C@H](C(N)=O)C2)cnn1Cc1ccccc1 53894846 CLSPFGYIROVOBG-HNNXBMFYSA-N 340.427 1.831 0 40 EDAB C[C@@H]1CCS(=O)(=O)CCN1C(=O)NCc1cccc2c1OCC2 1548453371 QYZVPDQASYLBFF-GFCCVEGCSA-N 338.429 1.340 0 40 EDAB O=C(N[C@@H](CO)c1ccccc1)C(=O)c1ccc2c(c1)OCCO2 69580764 UGYCVACKPSQYMB-AWEZNQCLSA-N 327.336 1.490 0 40 EDAB O=C(NCC(=O)N1CCC[C@@H](n2cncn2)C1)OCc1ccccc1 69893323 WKNOAOPIIONQTG-OAHLLOKOSA-N 343.387 1.368 0 40 EDAB CC(C)(O)CN1CCN(C(=O)C[C@H]2OCCc3ccsc32)CC1 69807855 FHEXXRRAFHMKOX-CQSZACIVSA-N 338.473 1.667 0 40 EDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@H]1CCCO1 65410395 TXXIHTOQIPTDKU-GFCCVEGCSA-N 330.388 1.634 0 40 EDAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(CCC(N)=O)C1 72352396 GXAWRORMRISRLQ-LLVKDONJSA-N 331.441 1.926 0 40 EDAB CN(C)c1ccc(CNC(=O)[C@@H]2NCCOc3ccccc32)cn1 1578426104 UECWKEYHPWJTAK-QGZVFWFLSA-N 326.400 1.487 0 40 EDAB O=C(c1ccco1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615123083 CABUTCPFPOPERK-GOSISDBHSA-N 326.352 1.928 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)c2cnc3c(c2)NC(=O)CS3)C1 1615547765 DHKSKXUOMOLJCT-LLVKDONJSA-N 334.445 1.588 0 40 EDAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(CC(N)=O)C3)cc2N1 12182903 LWTNVDHJRFDTKI-WCABBAIRSA-N 331.342 1.465 0 40 EDAB CN(C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 13671958 JHBCHCGBYDMXDQ-UHFFFAOYSA-N 347.440 1.779 0 40 EDAB CCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 16638489 QBKYFYVAYQVQNH-UHFFFAOYSA-N 328.434 1.622 0 40 EDAB O=C(Cn1cccn1)NCc1nnc(-c2nccc3ccccc23)o1 19376543 LASXICFMJGRPOS-UHFFFAOYSA-N 334.339 1.798 0 40 EDAB C[C@@H]1CN(c2nccc(CN3CCN4CCC[C@@H]4C3)n2)C[C@@H](C)O1 19497715 VXDSJMYLSONGSN-BFYDXBDKSA-N 331.464 1.370 0 40 EDAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)C3CC3)c2n1 8946355 ZWCZYAZIKRJAFW-UHFFFAOYSA-N 346.460 1.675 0 40 EDAB O=C1C=CN[C@H]([C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)N1 33374219 KNHIOYRLOJIHEO-MNOVXSKESA-N 348.617 1.714 0 40 EDAB c1cc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)ncn1 1888842818 HSFJGDKWVCFMCN-UHFFFAOYSA-N 326.404 1.487 0 40 EDAB c1nc(C2CCOCC2)cc(N2CCN(Cc3ncon3)CC2)n1 1888843794 SKUOFNCHWQBCNJ-UHFFFAOYSA-N 330.392 1.076 0 40 EDAB COC1(CNC(=O)c2ccccc2C)CCN(S(C)(=O)=O)CC1 1888888213 XLAPZIGRUILKEI-UHFFFAOYSA-N 340.445 1.165 0 40 EDAB Brc1cnccc1O[C@@H]1CCN(Cc2nnco2)C1 1848662349 HLVVYCRLUCYJGG-SECBINFHSA-N 325.166 1.880 0 40 EDAB CCCN(CC1CC1)C(=O)COC(=O)CNC(=O)c1ccccc1 23552001 VXILCXCYOPIEMR-UHFFFAOYSA-N 332.400 1.608 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)N(C)Cc2cnn(C)c2)C1=O 24478474 PVUMRUVKNUKFGG-CYBMUJFWSA-N 342.399 1.583 0 40 EDAB Cc1cc(=O)oc(C)c1C(=O)OCc1nnnn1-c1ccccc1 26015692 AREOSRLVWFOZRT-UHFFFAOYSA-N 326.312 1.589 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)Cc2c(C)noc2C)c1 27302192 PDJGXGZGBFRRHI-UHFFFAOYSA-N 337.401 1.058 0 40 EDAB COc1ccc(CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC 31610906 QJNOIULPIYLZEJ-ZDUSSCGKSA-N 341.429 1.282 0 40 EDAB Cc1cc(C(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)no1 238918836 SUCJNPUMVVISBT-UHFFFAOYSA-N 339.355 1.851 0 40 EDAB Cn1nccc1CN1CCC[C@@]2(CCCN(C(=O)c3cnco3)C2)C1 2056224010 NEHJMKQICPLLLS-GOSISDBHSA-N 343.431 1.927 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 949308052 UBDDVBPYWKCHIG-KRWDZBQOSA-N 345.443 1.312 0 40 EDAB COc1cc(C(=O)N2CC[C@H]3OCC[C@@H](c4nnc(C)o4)[C@H]3C2)on1 1565547948 UOPXKVWGGHNXSF-IJLUTSLNSA-N 348.359 1.409 0 40 EDAB O=C(Cc1ccc(F)cn1)N1CCc2ncnc(NC3CC3)c2CC1 1565543972 NPUYKMCEUOZADA-UHFFFAOYSA-N 341.390 1.755 0 40 EDAB CCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cc(F)ccc21 100892900 KIWWJHOUKZXAPH-VLGSPTGOSA-N 349.387 1.828 0 40 EDAB COCCN(Cc1cccs1)C(=O)c1nnn2cc(C)[nH]c(=O)c12 206634504 XPQKQVQZCAKLLJ-UHFFFAOYSA-N 347.400 1.076 0 40 EDAB Cc1cc(C)n([C@@H](CNC(=O)N2CCNC2=O)c2ccsc2)n1 575614370 QXGVGNOGSWMUQJ-ZDUSSCGKSA-N 333.417 1.886 0 40 EDAB O=C(NCc1cncc(-c2ccoc2)c1)OCCN1CCOCC1 575620575 OIUIAMGDNTZAFA-UHFFFAOYSA-N 331.372 1.900 0 40 EDAB Cc1nc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)cc(-n2cccn2)n1 2298178981 HKPIAHBEPPQUGR-HZPDHXFCSA-N 342.447 1.396 0 40 EDAB COC(=O)CNC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 100474745 QKBLHUVHHBQCJH-LISAXSMJSA-N 347.459 1.764 0 40 EDAB biogenic O=C(Cc1cn2ccsc2n1)NCc1cccnc1-n1cccn1 31228372 HEERAHDLDKBOMD-UHFFFAOYSA-N 338.396 1.835 0 40 EDAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCSCC1 40541985 LTRIJTXCBILHBK-LBPRGKRZSA-N 348.424 1.386 0 40 EDAB CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2nnc3ccccn23)C1 40522890 LEJHUBSYTZPUNK-CYBMUJFWSA-N 329.404 1.240 0 40 EDAB O=C(NCCCN1CCOCC1)c1cnn(-c2ccc(Cl)cc2)c1 40553277 FYOYKLBAMOZJLG-UHFFFAOYSA-N 348.834 1.978 0 40 EDAB CC[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CCO1 51083517 OETLNDNRYBLZKC-DZGCQCFKSA-N 332.400 1.634 0 40 EDAB CN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)c2ccccc2C1 69652820 WAUDMAAVNCWTQG-UHFFFAOYSA-N 348.410 1.683 0 40 EDAB CCc1cc(=O)n2nc(NCC[S@](=O)c3ccccc3)sc2n1 69620610 QKPCTRIZOYDYRQ-HSZRJFAPSA-N 348.453 1.933 0 40 EDAB COC(=O)c1nnn(CCc2c[nH]c3ccccc23)c1C(=O)OC 1720410 IEUYAIILXRYNRQ-UHFFFAOYSA-N 328.328 1.575 0 40 EDAB Cn1ncc(Br)c1C(=O)NC(=S)NCc1ccco1 2755967 SXWULTFYSULUEE-UHFFFAOYSA-N 343.206 1.580 0 40 EDAB CN(C)c1ncccc1CNS(=O)(=O)c1c(F)cccc1F 32437932 VIHNTPKKRQDZEM-UHFFFAOYSA-N 327.356 1.904 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 69621880 YPWVWRKUJRTMON-MRXNPFEDSA-N 344.459 1.448 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CC)cc1 6880421 DXPIGWWSIGUHLG-LBPRGKRZSA-N 328.434 1.668 0 40 EDAB COc1ccc(CCNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 102274968 DZNQYFLLWHLCOK-HZPDHXFCSA-N 342.395 1.305 0 40 EDAB O=C(O)C[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)C(=O)O 11990431 FBCALHOMQXCFQW-MRVPVSSYSA-N 329.234 1.988 0 40 EDAB O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCN(Cc2ccccc2)CC1 32820042 RLSNIEXEFNQSEI-MRXNPFEDSA-N 334.441 1.279 0 40 EDAB CCC(C)(C)NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 29880179 UJTKVWCADVCNLJ-UHFFFAOYSA-N 341.429 1.926 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1 22233947 GOSDOWLJYDMYRN-UHFFFAOYSA-N 343.364 1.428 0 40 EDAB CCOCCCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 21900015 XJQNPNFSTKMDMO-CYBMUJFWSA-N 348.399 1.354 0 40 EDAB C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)N1CCOCC1 41098665 NERVPBHMEMXKGM-LLVKDONJSA-N 339.465 1.379 0 40 EDAB CN(CC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cn1 41687076 XRZBDKVRANJUQL-UHFFFAOYSA-N 346.822 1.310 0 40 EDAB O=C(CNC(=O)c1cc(Cl)ccn1)NCc1ccc2c(c1)OCO2 7911966 HHYPOESEXXZQOU-UHFFFAOYSA-N 347.758 1.510 0 40 EDAB CCN(CC)C(=O)[C@@H](Nc1ccc2nnnn2n1)c1ccccc1 53581699 UHAVRZBTWATRGY-HNNXBMFYSA-N 325.376 1.541 0 40 EDAB O=C(NCc1cccs1)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 42759546 IDSRTKUWPCESPG-ZFWWWQNUSA-N 339.461 1.285 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)c2cc(C)ccc2O)CC1 42808810 JDDKWSBHBFHSQS-UHFFFAOYSA-N 326.418 1.245 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1C[C@H]2CC[C@H]1C2 105669674 SXEHFZOGEUPOQA-YDHLFZDLSA-N 336.457 1.989 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(CCOc2ccc(F)cc2)CC1 24243098 PNSZXYYOPSETIH-CQSZACIVSA-N 335.423 1.489 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc2c(s1)CCC2 24680182 MCDXXDPLYILKHN-GFCCVEGCSA-N 342.486 1.781 0 40 EDAB CC(C)N1C[C@@H](C(=O)NCc2cccc(Cn3ccnc3)c2)CC1=O 24752767 JCJLSGGDCOTRMK-KRWDZBQOSA-N 340.427 1.805 0 40 EDAB NC(=O)c1ccsc1NC(=O)Cn1cccc(C(F)(F)F)c1=O 25054858 QRYDPTYACVRHFE-UHFFFAOYSA-N 345.302 1.666 0 40 EDAB CCCCC[C@H](C)NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1C 47945348 RGYXKAPOKMTAOL-NSHDSACASA-N 342.465 1.551 0 40 EDAB COc1ccc(CNC(=O)Nc2ccc3c(c2)NC(=O)CO3)cn1 43690730 RMTOBYJWZBEOTJ-UHFFFAOYSA-N 328.328 1.743 0 40 EDAB Cc1cc(C)cc(OCCNC(=O)c2cnc3n(c2=O)CCS3)c1 56277107 CLVJIZMNUGGIKL-UHFFFAOYSA-N 345.424 1.775 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN([C@H](C)c3nc(C4CC4)no3)C2)C1=O 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1.104 0 40 EDAB C[C@@H]1CN(C(=O)NCc2cccnc2OCC(F)(F)F)CCO1 44968807 AIJKJWSGLGGBJJ-SNVBAGLBSA-N 333.310 1.953 0 40 EDAB CC[C@@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CCO1 44948827 LZIDBKPPWLXYJT-CYBMUJFWSA-N 328.434 1.675 0 40 EDAB COC(=O)c1oc(CN2C(=O)c3ccccc3CS2(=O)=O)cc1C 58332003 YMDLCFPFUACGRZ-UHFFFAOYSA-N 349.364 1.860 0 40 EDAB CN(C)c1ncccc1C(=O)NCCS(=O)(=O)c1ccccc1 58335933 AMVWDNKJCVFAJV-UHFFFAOYSA-N 333.413 1.351 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N2CCOCC2)cc1 58426650 YKUCYYTWOWKNAF-UKRRQHHQSA-N 331.416 1.249 0 40 EDAB CCn1cc(NC(=O)C2CCN(CC(=O)NCC(C)C)CC2)cn1 58433348 KQPKANABDMIAJF-UHFFFAOYSA-N 335.452 1.326 0 40 EDAB COc1ccc(NC(=O)CN2CSCC2=O)cc1OC(F)F 12782531 DRFJXDMDZYVVDG-UHFFFAOYSA-N 332.328 1.768 0 40 EDAB CCCNC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1 3490006 NRCBOOOIBRCDBC-UHFFFAOYSA-N 339.388 1.714 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)c2cnc(C)cn2)CC1 69739187 YDVTXBVXGBUYLI-UHFFFAOYSA-N 328.420 1.350 0 40 EDAB CN(C(=O)Cn1nnc2ccccc21)[C@H]1CCN(c2ccccc2)C1=O 69770856 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O=S1(=O)CCN(C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1 97147474 SYLZJJHVDOTFHT-UHFFFAOYSA-N 344.427 1.660 0 40 EDAB CC(=O)NCCCNC(=O)N1CCN(c2cc(F)ccc2F)CC1 78289578 PZILWNVXQQBSGD-UHFFFAOYSA-N 340.374 1.323 0 40 EDAB Cn1c(=O)c(Cn2nc(-c3cccs3)oc2=O)nc2ccccc21 97201466 FQWPWPYZVJTXRO-UHFFFAOYSA-N 340.364 1.860 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(CCc3ccc4c(c3)CCO4)C2)C1=O 84597371 QYUFYOZTWGFKJM-LJQANCHMSA-N 343.427 1.569 0 40 EDAB CC(C)(C)N1C[C@@H](NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CC1=O 79076572 IZRDLJJIJIZUAO-OLZOCXBDSA-N 333.436 1.698 0 40 EDAB CCN(CCCNc1cncc(Br)c1)S(C)(=O)=O 84774734 BUKJMJJUCGEEGK-UHFFFAOYSA-N 336.255 1.928 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)NC[C@H]1CCCC[C@H]1O 79066312 KEHTZVDSNOIZOE-QMTHXVAHSA-N 326.343 1.362 0 40 EDAB Cn1nnc2cc(C(=O)Nc3ccc(Cc4nnn[nH]4)cc3)ccc21 95427320 WKDTXXJJQOSJOJ-UHFFFAOYSA-N 334.343 1.325 0 40 EDAB CCC(CC)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C 98067582 DUPZEGKDLBTSLI-UHFFFAOYSA-N 342.461 1.838 0 40 EDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccc2cc[nH]c2n1 95997782 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225956759 VFVOTQHVRMWQHF-HNNXBMFYSA-N 340.445 1.688 0 40 EDAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 223295456 BUNVCGKWKIETMC-UHFFFAOYSA-N 334.397 1.968 0 40 EDAB C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CCCOC1 225790680 FCZXMEXTOADLQH-ZIAGYGMSSA-N 340.445 1.286 0 40 EDAB CN(C)S(=O)(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 193955826 OGNDFRBTMIDMCW-JTQLQIEISA-N 333.479 1.620 0 40 EDAB Cc1ccc(N2CC[C@H]3CO[C@H](CNc4ncccn4)[C@H]3C2)nn1 96064360 LSBOLFFIFHUXJF-SOUVJXGZSA-N 326.404 1.528 0 40 EDAB COC(=O)c1ccc(CN2CCN(Cc3nc(C)no3)CC2)s1 96466191 RXIHXXIMQOMTSS-UHFFFAOYSA-N 336.417 1.544 0 40 EDAB CCn1cc2c(n1)[C@H](COC)CN(C(=O)c1cc(C)nn1CC)C2 96198073 NUJWWIJCBKKTJC-AWEZNQCLSA-N 331.420 1.814 0 40 EDAB O=C(NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@@H]1CCOC1 96199256 JPGJRDGQJSDUNA-TZMCWYRMSA-N 346.362 1.136 0 40 EDAB C[C@@H](CCc1cccn1C)NC(=O)NC[C@H]1CCS(=O)(=O)C1 96437707 JPEATWXNBPUUDD-QWHCGFSZSA-N 327.450 1.080 0 40 EDAB Cn1ccc(C(=O)N2CCOC[C@@H]2c2nccc(NCC3CC3)n2)n1 96219389 SNGSBNZSNSJLRG-CQSZACIVSA-N 342.403 1.246 0 40 EDAB C[C@@H]1CN(C(=O)c2n[nH]cc2Cl)CC[C@@]1(O)C1CCOCC1 91390991 WHNYOXCZIGWTCY-BMIGLBTASA-N 327.812 1.703 0 40 EDAB C[C@H]1CN(C(=O)c2cccc(OCc3nnnn3C)c2)C[C@H](C)O1 96101351 OKVZNKCMNITDRW-RYUDHWBXSA-N 331.376 1.039 0 40 EDAB C[C@@H](O)C[C@H]1COCCN1C(=O)NCCc1cc(F)c(F)c(F)c1 97095066 NSYUDDGRGNTZFA-PWSUYJOCSA-N 346.349 1.828 0 40 EDAB O=C(N[C@H]1CN(Cc2ccoc2)[C@H]2CCCO[C@@H]12)c1cnccn1 97971558 ZGIROHAWEJDXPL-JYJNAYRXSA-N 328.372 1.231 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2cncnc2)cc1 583623233 YUNWWAVXTQAKIN-SJLPKXTDSA-N 327.384 1.998 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(c2nccc3c2C(=O)OC3(C)C)C1 583616273 KQLQSWBFQAQMPM-PWSUYJOCSA-N 343.387 1.880 0 40 EDAB CN(C)Cc1nc(CN(C)CC(C)(C)CN2CCOCC2)cs1 583651420 MVTJIQOYHJXAPC-UHFFFAOYSA-N 340.537 1.995 0 40 EDAB CN1C(=O)C[C@@H](c2ccncc2)C12CCN(C[C@H]1CCOC1)CC2 96069801 OULAWYYDOZYMPN-WBVHZDCISA-N 329.444 1.898 0 40 EDAB O=C(NCCc1ccccc1F)C1CCN(C(=O)C2(O)CCC2)CC1 97097072 DUCNZFGLFSXCSD-UHFFFAOYSA-N 348.418 1.638 0 40 EDAB C[C@]1(NC(=O)c2ccc(Cc3ccccc3)nc2)CCS(=O)(=O)C1 257323538 WKSYPNYYIZTTFU-SFHVURJKSA-N 344.436 1.979 0 40 EDAB O=C(c1ccccc1F)N1CCc2c(O)nc([C@H]3CCNC3)nc2C1 257241420 HXZNFBQQRCYEPV-NSHDSACASA-N 342.374 1.597 0 40 EDAB CNC(=O)[C@@]1(CCCc2cnccn2)CCN1Cc1coc(C)n1 257296256 RBXRESRFYVBQIT-QGZVFWFLSA-N 329.404 1.486 0 40 EDAB Cc1cccc2nc(C(=O)N3CC[C@](O)(CN4CCCC4)C3)cn12 257224592 FCLBXJQPCDLWLQ-SFHVURJKSA-N 328.416 1.316 0 40 EDAB Cc1ncsc1CN1CCC[C@@H](Cc2cc(C(N)=O)ncn2)C1 257249424 JIHCSCQMISWJAR-LBPRGKRZSA-N 331.445 1.795 0 40 EDAB CCOC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)CC 252515419 JRWUAKGYPKIFDE-ARFHVFGLSA-N 327.446 1.577 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 257296822 RENABGABWZCRPP-AWEZNQCLSA-N 328.372 1.418 0 40 EDAB COc1cc(CS(=O)(=O)N[C@@H](C)Cc2c(C)noc2C)sn1 585115685 NYVOHJWDIOBHGC-QMMMGPOBSA-N 345.446 1.807 0 40 EDAB Cc1ccccc1CNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 585131722 DZKIGZKMAMZYRZ-NWDGAFQWSA-N 335.347 1.834 0 40 EDAB C[C@H](C(=O)NCCc1ccco1)[C@H](O)CN(C)C(=O)OC(C)(C)C 585121376 NNPUTNJAWFGBDN-GXTWGEPZSA-N 340.420 1.802 0 40 EDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3cnn(C)c3)C[C@@H]21 257283410 OYEPQCLNAWBNSA-VHDGCEQUSA-N 326.404 1.197 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)s1 253370742 VIRFRAYSSLPWNB-MRVWCRGKSA-N 344.502 1.738 0 40 EDAB CO[C@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@@]12CCCO2 257342945 ZQRYLIFADAGUNL-WMZOPIPTSA-N 329.400 1.833 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccsc2)cc1 269765308 KXFDEYXPUSEJLG-AWEZNQCLSA-N 327.427 1.943 0 40 EDAB C[C@]1(C(=O)O)CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 262153558 MANDBZKFYORLFG-DYVFJYSZSA-N 337.420 1.237 0 40 EDAB COC[C@]1(C(=O)OC(C)(C)C)CCCN1C(=O)[C@@H]1CCCCO1 600133088 JTWPYTSGDZOMAU-GUYCJALGSA-N 327.421 1.905 0 40 EDAB Cc1cc(N2CCC[C@@H](Nc3ccnc(N(C)C)n3)C2=O)n(C)n1 608097532 MRKQWQWDUSITII-GFCCVEGCSA-N 329.408 1.192 0 40 EDAB COC[C@H]1CC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 1615000672 BJPPUQGPFVJZCS-UKRRQHHQSA-N 340.445 1.021 0 40 EDAB Cn1ccnc1[C@@H]1CN(C(=O)c2cnc3ccc(F)cc3c2)C[C@H]1N 1615591383 NGSPDEVKRCRFMW-HUUCEWRRSA-N 339.374 1.674 0 40 EDAB O=S(=O)(c1ccco1)N1CC(c2ncc(Br)cn2)C1 1615587300 YUGYAXZAHQMLCT-UHFFFAOYSA-N 344.190 1.620 0 40 EDAB CC(C)CS(=O)(=O)C1CN(S(=O)(=O)/C=C/c2ccccc2)C1 96122024 LPQPGWJGKGZDTR-CMDGGOBGSA-N 343.470 1.742 0 40 EDAB O=S(=O)(Nc1cnn([C@H]2CCOC2)c1)c1cc(F)ccc1F 96123277 VNNIRFXLSNVTTA-NSHDSACASA-N 329.328 1.924 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1cnc(C2CC2)nc1 585279149 URPJZZGWSNEEOA-KRWDZBQOSA-N 332.404 1.111 0 40 EDAB CC(=O)N1CCC[C@H](NC(=O)c2cnc[nH]2)[C@@H]1Cc1ccc(F)cc1 585280328 FJNMJKXXTRJPRX-RDJZCZTQSA-N 344.390 1.901 0 40 EDAB O=S(=O)(c1cccs1)N1CCC(c2nnc3n2CCC3)CC1 47267999 CFUJEMQDRWWHFY-UHFFFAOYSA-N 338.458 1.854 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)Cn1cccn1 57110252 NUXMDOJVLYLDIJ-SNVBAGLBSA-N 328.401 1.924 0 40 EDAB COCCN1CC[C@@H](CNC(=O)Cc2ccc(OC)c(OC)c2)C1 68493201 GWVNIETYRJIYAV-HNNXBMFYSA-N 336.432 1.331 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCC(N(C)C)CC3)cnc12 71824102 UOHNJAAARFJHNQ-UHFFFAOYSA-N 328.416 1.258 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)CNC(=O)OCC(F)(F)F 71847131 BGESGWITTQSIBM-SECBINFHSA-N 334.298 1.202 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2nccs2)C(=O)C1 1565522580 KVIWNAUMRGTPCJ-CYBMUJFWSA-N 345.380 1.158 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)CCc1nc(-c3ccco3)no1)CC2 97199116 HLXRSYIWOKFTII-NSHDSACASA-N 342.359 1.293 0 40 EDAB COc1cc(N2CCN(C(=O)c3ccncc3F)CC2=O)ccn1 1776008118 ZMHLKXZATPRCPI-UHFFFAOYSA-N 330.319 1.113 0 40 EDAB O=C(c1ccc(Br)s1)N1C[C@H]2C[C@H]1CS2(=O)=O 321908186 VJXIVQJCVMZGBJ-NKWVEPMBSA-N 336.232 1.522 0 40 EDAB NC(=O)[C@H]1[C@H](c2ccc(O)cc2)[C@@H](C(=O)O)[C@@H]1c1ccc(O)cc1 1772591409 VWJPPBYVFVIWFP-GEEKYZPCSA-N 327.336 1.781 0 40 EDAB O=C(Cn1cncn1)N[C@H]1CC2(CCOCC2)Oc2ccccc21 12337423 OIDCDTKHYLDRJZ-AWEZNQCLSA-N 328.372 1.467 0 40 EDAB CS(=O)(=O)Nc1cccc(C(=O)NCCCN2CCCC2)c1 13672508 VSARSUXJXFCFKB-UHFFFAOYSA-N 325.434 1.274 0 40 EDAB COc1ccc([C@H]2CC(=O)C[C@@H](Nc3nonc3N)C2)cc1OC 19974035 AAGANYJCNZQGJR-MNOVXSKESA-N 332.360 1.986 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)C(F)(F)F)C2=O)c(C)c1 158336919 QZMJKFJQYWWPSL-FZMZJTMJSA-N 330.306 1.994 0 40 EDAB Cc1ncsc1C(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 225405498 CHNCPUCNIFDIET-LLVKDONJSA-N 333.417 1.601 0 40 EDAB Cc1cc(C)c2ccc(N3CCO[C@@H](C(=O)NC4CC4)C3)nc2n1 1889103123 UMTIEPILMSQUGJ-OAHLLOKOSA-N 326.400 1.730 0 40 EDAB Cc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1S(=O)(=O)N1CCOCC1 14093356 JOXVHPDJPHKVLX-OCCSQVGLSA-N 338.429 1.610 0 40 EDAB FC(F)(F)c1ccc(N2CCN(C[C@H]3COCCO3)CC2)nc1 1849115980 NPQFLJRGDUDFLQ-ZDUSSCGKSA-N 331.338 1.638 0 40 EDAB CCCOc1ccccc1OC(=O)Cn1cnc2c(cnn2C)c1=O 21396128 BIEFGVASXCFGHK-UHFFFAOYSA-N 342.355 1.524 0 40 EDAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(c2nccs2)CC1 21334957 RMUCGIDXDQFUOO-MCIONIFRSA-N 338.477 1.289 0 40 EDAB Cc1ncnc(N2CCN(c3cc(=O)n4ccccc4n3)CC2)c1C 1776008408 CVYWXMRZGPYWPK-UHFFFAOYSA-N 336.399 1.428 0 40 EDAB CC(=O)N1CCN(C2CCOCC2)C[C@@](O)(COc2ccccc2)C1 2037946979 RZTHFUOGPMKFCK-LJQANCHMSA-N 348.443 1.140 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@@]2(C[C@@H](Nc3ccccn3)CO2)C1 1565552877 AWSQKUDQPZWWKR-BEHLRCOKSA-N 329.400 1.146 0 40 EDAB Cc1c(C)n2c(SCC(=O)NCc3ccccc3)nnc2[nH]c1=O 4250406 MEVIWSCEMKDBMQ-UHFFFAOYSA-N 343.412 1.443 0 40 EDAB CN1C(=O)c2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2C1=O 4284080 MFYFFIAFEUUYKV-UHFFFAOYSA-N 338.319 1.936 0 40 EDAB O=c1c(=O)n2c(nn1CCc1ccccc1)N(c1ccccc1)CC2 8848790 GJKGCLILWOHMFG-UHFFFAOYSA-N 334.379 1.799 0 40 EDAB CCCS(=O)(=O)NC[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 9038141 FXJYIGFWIRUCDU-CYBMUJFWSA-N 328.409 1.504 0 40 EDAB CNC(=O)Cn1c(CO)cnc1SCc1ccc(C(=O)OC)cc1 9827375 ZAVCUIIKWRFDOI-UHFFFAOYSA-N 349.412 1.200 0 40 EDAB Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)nc(C)n1 585147332 GERQRTKSMGGMKG-GFCCVEGCSA-N 339.442 1.997 0 40 EDAB COC(=O)[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1N2C(=O)O 102227441 PNJFEOGCMIEFTL-SYQHCUMBSA-N 333.340 1.916 0 40 EDAB biogenic COc1c2c(cc3c1[C@@H](CC(=O)[C@@H]1CCOC1=O)N(C)CC3)OCO2 20111824 RYJBGPUJPSJGAR-NWDGAFQWSA-N 347.367 1.475 0 40 EDAB biogenic C[C@@]1(NC(=O)CNc2cc(Cl)ccc2F)CCS(=O)(=O)C1 40473979 SWZRKGCYXFDTAJ-CYBMUJFWSA-N 334.800 1.584 0 40 EDAB Cc1cc(=O)n2ncnc2n1C[C@H](O)COCc1ccc(Cl)cc1 40498018 YMMQTHQVCCCXOF-AWEZNQCLSA-N 348.790 1.431 0 40 EDAB O=C(NCC1CCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 31441985 FAWLGNBQUHAXOY-ZDUSSCGKSA-N 330.384 1.727 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CCCN(C[C@@H]2CCCO2)CC1 40527716 PLUSIOOPONXVQL-HNNXBMFYSA-N 342.436 1.701 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNC(=O)c2cccc(S(N)(=O)=O)c2)C1 40534339 SZRMOEWKOIWQSM-BETUJISGSA-N 339.461 1.042 0 40 EDAB CN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 36724989 ROUZVCHVRJKTLA-LBPRGKRZSA-N 346.399 1.595 0 40 EDAB Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1S(N)(=O)=O 8110912 VFPWBYQQYFQUMM-UHFFFAOYSA-N 344.389 1.582 0 40 EDAB Cc1cccc(OCCCNC(=O)NC[C@H]2CCS(=O)(=O)C2)c1 45867352 OLTXCCVRBOLUFV-CQSZACIVSA-N 340.445 1.498 0 40 EDAB CC(C)n1ncc2cc(NC(=O)[C@H]3CC(=O)N(C4CC4)C3)cnc21 29216369 OZPFUUWRYCUSKQ-LBPRGKRZSA-N 327.388 1.962 0 40 EDAB Cc1ccc(C(=O)N(C)C)cc1NCC(=O)NC(=O)NC(C)(C)C 69622429 ACRSWYZVWHRBRE-UHFFFAOYSA-N 334.420 1.733 0 40 EDAB O=C1CC[C@H](Cc2ccc(I)cc2)C(=O)N1 1612007 OIIOMGUXUXNDTH-SECBINFHSA-N 329.137 1.887 0 40 EDAB CCNC(=S)N(CCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O 4131897 CRRFCZULWCWXTK-UHFFFAOYSA-N 333.457 1.834 0 40 EDAB CN1CCO[C@H](C(=O)NCc2csc(CCc3ccccc3)n2)C1 83006809 JKBBBNIVXKNWGW-INIZCTEOSA-N 345.468 1.875 0 40 EDAB O=C(NCCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 4575138 GBSWHAZWCZZVFU-UHFFFAOYSA-N 326.352 1.755 0 40 EDAB Nc1nc2c(c(=O)[nH]1)N=C(CCNc1ccc(C(=O)O)cc1)CN2 4823107 KCMJLKPNBXLNNJ-UHFFFAOYSA-N 328.332 1.051 0 40 EDAB in-vitro,metabolite CCOCCCNC(=O)C(=O)Nc1ccccc1Br 6844494 VAVITATYALRVEL-UHFFFAOYSA-N 329.194 1.930 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)C1 41131090 BEHFZOSTQKQBHV-NSHDSACASA-N 338.791 1.378 0 40 EDAB CCOc1c(Br)cc(CNn2nnnc2N)cc1OC 7541736 XFKXNDKYGAWQGA-UHFFFAOYSA-N 343.185 1.169 0 40 EDAB COC(=O)c1cc(CN[C@@H](C(N)=O)c2ccccc2)ccc1OC 32879078 REHURFOWBRDRNM-MRXNPFEDSA-N 328.368 1.798 0 40 EDAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cnn1C 29874965 ARZYAFUFABBEKR-AWEZNQCLSA-N 334.445 1.593 0 40 EDAB CC[C@H](C)NC(=O)CS(=O)(=O)Cc1nc(-c2cccs2)no1 32929928 VHGGWBVZKWFLGX-VIFPVBQESA-N 343.430 1.628 0 40 EDAB CCOC(=O)CCc1c(C)[nH]c2nc(-c3ccncc3)nn2c1=O 10338635 NDNFBHFERUMYFD-UHFFFAOYSA-N 327.344 1.284 0 40 EDAB CCOc1ncccc1C(=O)NC1CCN(c2ncccn2)CC1 60644546 WODIQFXYWSQFDR-UHFFFAOYSA-N 327.388 1.669 0 40 EDAB C[C@@H](C(=O)N1CCOCC1)N1CCC[C@H](n2cnc3ccccc32)C1 69324780 HAKZVYYWMGUSKV-HOTGVXAUSA-N 342.443 1.921 0 40 EDAB Cc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)nc1 9834532 BYHCOFCLIPRLKI-UHFFFAOYSA-N 333.413 1.734 0 40 EDAB C[C@H]1CN(CC2CCN(c3nccc(N(C)C)n3)CC2)C[C@@H](C)O1 91478864 VPGYUPAHTUFNLE-GASCZTMLSA-N 333.480 1.868 0 40 EDAB O=C(COc1ccc2c(c1)OCO2)NC[C@@H]1COc2ccccc2O1 8345201 KRCNYKOIJCZEIR-CYBMUJFWSA-N 343.335 1.750 0 40 EDAB CC[C@H]1CN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CCO1 23042806 OOJXSCXMIUYENM-NSHDSACASA-N 337.401 1.107 0 40 EDAB Cc1ccccc1CN1CCN(Cn2nc3ccccn3c2=O)CC1 23249139 VBBZHFIJYSXCQB-UHFFFAOYSA-N 337.427 1.580 0 40 EDAB CCn1cc(NC(=O)NCCS(=O)(=O)Cc2ccccc2)cn1 47070834 WDWQPRWSQWIEKD-UHFFFAOYSA-N 336.417 1.640 0 40 EDAB CC(C)(CNC(=O)c1cncn1-c1ccccc1)N1CCOCC1 23675222 KVFHTCVEBMLBAV-UHFFFAOYSA-N 328.416 1.713 0 40 EDAB O=C(COc1ccccc1)NCC(=O)N[C@H]1CCOc2ccccc21 23647417 NPWHSNIEWUJESZ-INIZCTEOSA-N 340.379 1.822 0 40 EDAB CS(=O)(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 108535496 JEWXAHFZOSUNGG-UHFFFAOYSA-N 337.445 1.246 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 61601333 VSYRRVYVZOFAMW-KFWWJZLASA-N 335.448 1.882 0 40 EDAB C[C@@H](OC(=O)c1nccnc1N)C(=O)NC[C@H](C)c1ccccc1 24794553 STACVBWTNBIGPR-NWDGAFQWSA-N 328.372 1.524 0 40 EDAB NC(=O)c1cccc(CNC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 25334310 OCMRIUHIVKLMIV-HNNXBMFYSA-N 339.399 1.108 0 40 EDAB CCN(CCCNC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 56346277 PHNLQNHEICTIAO-UHFFFAOYSA-N 343.405 1.208 0 40 EDAB CCc1ccccc1NC(=O)CNC(=O)c1cccc(C(N)=O)c1 43728943 YDYTWYWXEYPEKF-UHFFFAOYSA-N 325.368 1.716 0 40 EDAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccoc1 25892588 MNKZTHNSESFFOT-UHFFFAOYSA-N 336.369 1.981 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN([C@H](C)c3nc(C4CC4)no3)C2)no1 108087076 PQJCCINXCLIKQK-MFKMUULPSA-N 332.408 1.906 0 40 EDAB O=C(Nc1ncccc1O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 12546108 JMVYKORSOHINLM-JTQLQIEISA-N 341.323 1.508 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@H](C)n1cncn1)O[C@@H](C)C2 27582536 IXIUQTXGNHQXKP-RYUDHWBXSA-N 330.388 1.878 0 40 EDAB Cn1cnnc1CNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 58195552 ZFMCHPRWPMPAFC-NEPJUHHUSA-N 335.205 1.998 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1CCc1ccccc1 58224976 OEFCLSVKAWCTIN-HNNXBMFYSA-N 327.384 1.160 0 40 EDAB COc1ncccc1CNC(=O)N1CCN(c2ccccc2O)CC1 44968850 AKIXITZYIORTSO-UHFFFAOYSA-N 342.399 1.828 0 40 EDAB C[C@H]1CN(CCNC(=O)N(C)Cc2ccc3c(c2)OCO3)C[C@H](C)O1 44967502 AHBIXIZNYCGQQR-KBPBESRZSA-N 349.431 1.666 0 40 EDAB C[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCO1 27881994 CIHHSONVBKSNBG-GXFFZTMASA-N 331.821 1.797 0 40 EDAB Cc1cnn(CC(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 58381958 ZXMLTUPYPUHNLX-UHFFFAOYSA-N 348.353 1.454 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)N1CCc2ccccc21 45289311 MLASFGPBNAQZBB-UHFFFAOYSA-N 334.397 1.796 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)CNc2ccc(F)c(Cl)c2)C1=O 28658608 SHTOAOPPRBPPTQ-CQSZACIVSA-N 342.758 1.643 0 40 EDAB C[C@H](c1cccc(Cl)c1)N(C)C(=O)Cn1ccc(=O)n(C)c1=O 48154948 JQTKOJFUYJXLII-LLVKDONJSA-N 335.791 1.420 0 40 EDAB COC[C@@H](C)NC(=O)CSc1nc(C)c(C)n1C[C@H]1CCCO1 36633663 MCHDLEZVBGZFTI-BXUZGUMPSA-N 341.477 1.922 0 40 EDAB Cc1cnn(C[C@@H]2CN(C[C@H](O)COc3ccc(F)cc3)CCO2)c1 69445547 XGWKOOHHVCSTNT-WMZOPIPTSA-N 349.406 1.471 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NC[C@H]1CCCO1 48263644 ACJRUCYPZNERSC-GXTWGEPZSA-N 340.445 1.972 0 40 EDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@H]1CCOC1 48311802 AHZGDQCKBWSEDB-UKRRQHHQSA-N 333.367 1.057 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@H]2CCCO2)s1 48331440 SEELFSDSWNVEKG-MWLCHTKSSA-N 347.462 1.023 0 40 EDAB Cc1cc(NC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)no1 12807040 KJVRIOISYXCXGU-UHFFFAOYSA-N 342.363 1.014 0 40 EDAB NC(=O)CCS(=O)(=O)CCN(Cc1ccc(F)cc1)C1CC1 12916686 UHBVZSJQYBWHEC-UHFFFAOYSA-N 328.409 1.080 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)NC(C)(C)C)C2=O)cc1 8428403 USHCKXKNARYNJA-MRXNPFEDSA-N 334.376 1.475 0 40 EDAB COc1ccc(-n2ccnc2CN2CC[C@H](O)C[C@@H]2C(=O)O)cc1 65406742 XYWQSUCIXFRBEZ-DZGCQCFKSA-N 331.372 1.291 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1NC(=S)NCc1ccccc1 13056243 RXWRZMJPPUDHCP-UHFFFAOYSA-N 332.429 1.820 0 40 EDAB CCN(CC(=O)NC(C)C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13039192 RPTYIAIZVCDGNX-UHFFFAOYSA-N 336.823 1.923 0 40 EDAB CN1CCN(Cc2cccc(CNC(=O)N3CCSCC3)c2)CC1 69896807 BLVCLQYIKSXDKJ-UHFFFAOYSA-N 348.516 1.692 0 40 EDAB Cn1c(SCC2=NS(=O)(=O)c3ccccc3N2)nnc1C1CC1 69892963 LJUYLCRSTDFFJA-UHFFFAOYSA-N 349.441 1.998 0 40 EDAB CCOCCN1CCN(Cc2nnnn2-c2ccccc2)C[C@H]1CC 69840581 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C[C@H](C(=O)Nc1nnc(C2CC2)s1)n1nnc2ccccc2c1=O 71329000 ANBATPRVCWCCSW-MRVPVSSYSA-N 342.384 1.720 0 40 EDAB O=C(COc1ccccc1F)NN1C(=O)NC2(CCCCC2)C1=O 4960331 KKGAHLMPPZYYDU-UHFFFAOYSA-N 335.335 1.490 0 40 EDAB CCOC(=O)c1cc(-c2ccccn2)nc2nc(S)[nH]c(=O)c12 6907904 UHMFXSBYKQZNJA-UHFFFAOYSA-N 328.353 1.846 0 40 EDAB COc1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cn1 7136525 OKIGGBUUEPFQJD-UHFFFAOYSA-N 340.339 1.122 0 40 EDAB CCOC(=O)CCC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 7242853 JVPPRBLFLAEYKI-UHFFFAOYSA-N 328.390 1.185 0 40 EDAB Cn1c(=O)c2c(nc(Cl)n2CCCc2ccccc2)n(C)c1=O 7416579 VSCKBGUKBLINDO-UHFFFAOYSA-N 332.791 1.720 0 40 EDAB CC(C)(C)NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 16046702 NMGDRHXICZNWFM-CQSZACIVSA-N 342.399 1.546 0 40 EDAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC1CCCCC1 7918534 OREVMADLWMVYJU-UHFFFAOYSA-N 343.427 1.992 0 40 EDAB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)C(N)=O 7996357 RNQSIEBVFJZVHX-LLVKDONJSA-N 343.383 1.544 0 40 EDAB COCCOc1ccccc1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 83911881 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NS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 96998821 IGMAJVLVLONPOH-UHFFFAOYSA-N 348.352 1.413 0 40 EDAB O=C(CN1CCC[C@H](c2ccn[nH]2)C1)NC[C@H]1Cc2ccccc2O1 72270716 NNRJDNIPUOQKLY-JKSUJKDBSA-N 340.427 1.709 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)Cc3cn4ccccc4n3)C2)n1 72235375 FFSFZPRLHPUCSI-INIZCTEOSA-N 338.415 1.949 0 40 EDAB CCCCn1nnnc1CN1CCC[C@H]1c1c(C)nn(C)c1OC 72253684 RWOPZJOERQSBKB-ZDUSSCGKSA-N 333.440 1.861 0 40 EDAB NC(=O)C1(N2CCN(C(=O)NCC(F)(F)F)CC2)CCCCC1 72289154 ZLTQRYRTDVCMSJ-UHFFFAOYSA-N 336.358 1.064 0 40 EDAB Cc1cnn(CCCNC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)c1 84265254 YYNIEHDSFOIABI-ZDUSSCGKSA-N 347.385 1.860 0 40 EDAB C[C@@H](O)CN(C)C(=O)c1cc(I)ccc1O 97114601 AFWWRGQDYWOXCP-SSDOTTSWSA-N 335.141 1.450 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)[C@H]1Cc3ccccc3S1)CC2 97199136 VXSCIKVHFIRXOG-GXTWGEPZSA-N 328.441 1.989 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)nn1 78059813 WFBSRVXJAFRBGH-UHFFFAOYSA-N 344.346 1.223 0 40 EDAB C[C@H](O)CN(CCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 84638246 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O=C(NCCNC1CCCCCC1)c1ccc(-n2cnnn2)cc1 178178055 FKLIGHFEYRPXJT-UHFFFAOYSA-N 328.420 1.705 0 40 EDAB O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCS[C@@H](c2ccccc2F)CC1 219117725 CJUJOLNWGFSPHV-CYBMUJFWSA-N 349.387 1.523 0 40 EDAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218035490 YEFFQWQYNFHLAX-BQFCYCMXSA-N 345.420 1.887 0 40 EDAB CC(=O)N[C@H](C)C(=O)NC1(C(=O)Nc2ccccc2C)CCCC1 75260271 KSIUMLWCIDZRKD-CYBMUJFWSA-N 331.416 1.887 0 40 EDAB CC(=O)NCC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 183488996 LFGOASWLXDDYPH-CYBMUJFWSA-N 330.306 1.741 0 40 EDAB Cc1csc(C(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)c1 70655672 DHGBRKPOEADZDA-UHFFFAOYSA-N 348.428 1.917 0 40 EDAB CNc1cc(Nc2nccc([C@@H]3CCCN(CCOC)C3)n2)ncn1 72377555 TTWGTQNMRMMGEN-CYBMUJFWSA-N 343.435 1.878 0 40 EDAB C[C@@H](CNS(=O)(=O)c1ccc(C(=O)O)cc1Cl)N(C)C1CC1 184995186 NMIBHGHERYBVBW-VIFPVBQESA-N 346.836 1.799 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 78611449 QEUCMVUAVNIVEI-OLZOCXBDSA-N 328.409 1.308 0 40 EDAB 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0 40 EDAB Cc1c([C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCO3)cnn1C 26829480 WGTAKKOHDYIOLW-JTQLQIEISA-N 337.401 1.539 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)Cc2c(C)nn(C)c2C)cc1F 22976344 AEMYSRLIQSJCMP-UHFFFAOYSA-N 346.406 1.573 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)COc1ccccc1C(F)(F)F 58014286 XFCHRCOYBPXYLR-UHFFFAOYSA-N 330.306 1.821 0 40 EDAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)CCNC(=O)[C@@H]1C[C@H]1C 44736106 TYOIKVVISOMQJJ-IUODEOHRSA-N 343.427 1.988 0 40 EDAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CC1 58143769 QQBAZAJSRLSXDR-ZDUSSCGKSA-N 347.415 1.990 0 40 EDAB O=C(NCCc1ccc(F)cc1)[C@H](Cc1ccccc1)n1cnnn1 44872266 CJQGATVSGIKCGC-KRWDZBQOSA-N 339.374 1.955 0 40 EDAB O=C(CN1C=Nc2ccccc2S1(=O)=O)NCCc1cccs1 58289237 KVILJEQZHWBYLM-UHFFFAOYSA-N 349.437 1.771 0 40 EDAB CCN(CC)[C@H](CNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C)c1ccco1 58293640 DINXTTNDTBPJJO-RRFJBIMHSA-N 335.448 1.941 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccc(OC)nc2)c1 44950849 YEMCYAZFXBBIKW-CQSZACIVSA-N 347.371 1.963 0 40 EDAB COc1cccc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1 58328406 IKJVNEZHGXUEGS-QGZVFWFLSA-N 328.324 1.938 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 58392299 UGQONSAHXUCYKA-ZFWWWQNUSA-N 344.415 1.352 0 40 EDAB COc1cc(OC)c(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl 58306803 IMNVUVMCUAQQQH-QMMMGPOBSA-N 348.808 1.666 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)CCn1cnc2ccccc2c1=O 48265540 SUZVRFRGNORQKN-AWEZNQCLSA-N 329.400 1.672 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)NCc1ccnc(N2CCCC2)c1 48333419 IGNUUDNLVLOCHO-HNNXBMFYSA-N 347.463 1.202 0 40 EDAB CN(C(=O)NCc1ncc(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 48331636 OZWVDCJZMWTUTB-ZDUSSCGKSA-N 349.412 1.670 0 40 EDAB NC(=O)[C@H](NS(=O)(=O)N1CCc2ccccc2C1)c1ccccc1 69443568 CCJQBSVEGHTLDG-MRXNPFEDSA-N 345.424 1.106 0 40 EDAB CCCCNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 12999669 GOGFRIGJDJZQNQ-AWEZNQCLSA-N 337.445 1.666 0 40 EDAB CC[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 12980103 HDFSVCPOCYXCJH-LLVKDONJSA-N 346.474 1.431 0 40 EDAB CN(C)[C@@H]1CCN(S(=O)(=O)c2cncc(Br)c2)C1 62983931 XERFWLOISSXLIC-SNVBAGLBSA-N 334.239 1.169 0 40 EDAB CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H](C)Cn1ccnc1 69595219 ONXBZIXOWFVEAW-HNNXBMFYSA-N 343.431 1.620 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)NCC(=O)NC3CC3)C2)c1 69587132 BUAOIZQFCZCEOV-CYBMUJFWSA-N 346.431 1.099 0 40 EDAB COc1ccc(C(C)=O)cc1CSc1nnc(C)n1CC(N)=O 69570960 RCHBLZGHULDTGT-UHFFFAOYSA-N 334.401 1.575 0 40 EDAB Cc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1F 5000086 NKECUJFZUXSZQW-UHFFFAOYSA-N 341.342 1.786 0 40 EDAB Cc1noc([C@@H](C)NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)n1 69812492 VLTVXJPOCJEMTK-MWLCHTKSSA-N 340.449 1.893 0 40 EDAB Cc1csc(N2CCN(c3ncnc4c3cnn4C)C[C@@H]2C)n1 69870147 ZPZXZVJLPUXWNM-NSHDSACASA-N 329.433 1.843 0 40 EDAB CCc1ncc(C(=O)NCCN2CCN(c3ncccn3)CC2)s1 65108235 CGKDVXWUDFFHMA-UHFFFAOYSA-N 346.460 1.048 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)N[C@H](C)c2ccccc2Cl)CC1 69843091 XJLPQHHCBVCNKS-ZIAGYGMSSA-N 339.867 1.516 0 40 EDAB O=C(Nc1cc(F)ccc1Cl)C(=O)N1CCN(CC(F)F)CC1 69870391 AGRCJPFVWDIHIW-UHFFFAOYSA-N 349.740 1.827 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 69980734 BZGVXXOUCSUPOI-MAUKXSAKSA-N 348.443 1.383 0 40 EDAB COc1cc(C)c(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1OC 14094068 DLRNWUXORZAKKJ-GFCCVEGCSA-N 342.417 1.375 0 40 EDAB CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N1CC[C@@H](C(N)=O)C1 65533073 KUZVWJNRKSETFC-QMTHXVAHSA-N 326.343 1.702 0 40 EDAB CCOC(=O)[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCCO2 65551065 LQCDHOZLNDSKAF-CQSZACIVSA-N 333.384 1.945 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 14199252 AJVLVKCDCJSZQS-ZDUSSCGKSA-N 335.429 1.915 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cn(C)c(=O)c3ccccc23)CC1 71283515 UALNXVKAWAROLF-UHFFFAOYSA-N 343.383 1.453 0 40 EDAB COc1ccc(NC(=O)Cc2csc(C)n2)cc1S(N)(=O)=O 6542973 HIOLJCKTINKXNQ-UHFFFAOYSA-N 341.414 1.289 0 40 EDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1CO 79096739 OSIWCVSZXQCBGH-RYRKJORJSA-N 332.444 1.647 0 40 EDAB O[C@H](CNCc1ccc(-c2ccccc2F)o1)CN1CCOCC1 6651193 RZFJRQHDFSTMMI-CQSZACIVSA-N 334.391 1.868 0 40 EDAB O=C(NCc1n[nH]c(=O)[nH]1)Nc1ccccc1COc1ccccc1 79067854 UELAWMGSOYGIBQ-UHFFFAOYSA-N 339.355 1.999 0 40 EDAB CN(Cc1nccn1C(F)F)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 79076829 DVQZOJAZUFBBLM-SNVBAGLBSA-N 343.378 1.819 0 40 EDAB Cc1noc(CNC(=O)N2CCN(Cc3cnc(C)s3)CC2)n1 111853074 JILLGHLTQZJIOC-UHFFFAOYSA-N 336.421 1.170 0 40 EDAB Cc1ccnc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1 9154434 SWVMNWMMGIKUMS-UHFFFAOYSA-N 333.413 1.734 0 40 EDAB CN1CCN(CCNC(=O)N(C)CC(C)(C)O)[C@H](c2ccccc2)C1 110678870 LNHZMXLEAPYGNM-KRWDZBQOSA-N 348.491 1.387 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)COc2ccc(C)c(C)c2)cn1 4985538 UQCXQCVXIMFBIS-UHFFFAOYSA-N 341.411 1.932 0 40 EDAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(N)nc(N)n2)c1 4921150 WDTUMVCKFUFAEK-MRVPVSSYSA-N 332.389 1.358 0 40 EDAB C[C@@H]1Cc2ccccc2N1CC(=O)NCC(C)(C)N1CCOCC1 15255614 WFFKWPYDFZPOHU-OAHLLOKOSA-N 331.460 1.665 0 40 EDAB CCc1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 7063173 VLCAVVSOZVVTLN-UHFFFAOYSA-N 331.397 1.685 0 40 EDAB COc1ccc(Cl)cc1Cn1cnc2c1c(=O)n(C)c(=O)n2C 7064907 XJSYOGHFLVFITJ-UHFFFAOYSA-N 334.763 1.144 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@@H](C)O1 7308160 DLSBZVDIJVWUPY-VXGBXAGGSA-N 327.402 1.646 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1CC(=O)NC 68543842 DGAQDUHMGFSFDW-NWDGAFQWSA-N 334.420 1.400 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2O1 7827963 YUYHZFBFOODUIE-IRXDYDNUSA-N 338.363 1.530 0 40 EDAB CN1CCN(c2cccc(Cl)c2CNC(=O)[C@H]2CCCO2)CC1 81376686 UMGLRXUCIGIICZ-MRXNPFEDSA-N 337.851 1.887 0 40 EDAB CS(=O)(=O)NCCCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 96407476 QINRPFRXZCDCLH-ZJUUUORDSA-N 332.372 1.124 0 40 EDAB CNc1cc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)cc(Cl)n1 71893363 HGTQVHBKQDVAAV-LBPRGKRZSA-N 346.822 1.966 0 40 EDAB CC(C)c1nc2n(n1)C[C@@H](NCc1nnnn1-c1ccccc1)CC2 71871794 KZOPSZFCZFNORH-ZDUSSCGKSA-N 338.419 1.482 0 40 EDAB CC(C)(C)c1noc(CCC(=O)N2CCC[C@H](n3cncn3)C2)n1 72234861 NCLHTYHGIVKCDJ-LBPRGKRZSA-N 332.408 1.755 0 40 EDAB C[C@@H]1CN(CC(=O)NCC(=O)N2CCCC2)c2ccc(F)cc2O1 72296476 KEOZUFMSDSWFLX-GFCCVEGCSA-N 335.379 1.152 0 40 EDAB NC(=O)C1CCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 72293062 SWFYWKIWFMCWLK-KRWDZBQOSA-N 345.443 1.001 0 40 EDAB CC(C)c1nnc2n1C[C@H](NC(=O)c1ccnc(N(C)C)c1)CC2 97198795 OBXDZAAHOZARQY-CYBMUJFWSA-N 328.420 1.607 0 40 EDAB C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1 95389633 WAQSOSWMHPRBAJ-KBRIMQKVSA-N 334.439 1.617 0 40 EDAB Cc1cc(CC(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)no1 95405509 QFKFPIHVLWZIJK-NSHDSACASA-N 334.401 1.859 0 40 EDAB CS(=O)(=O)CCNc1ncccc1I 95403363 IOFLOPYTGRZBIN-UHFFFAOYSA-N 326.159 1.143 0 40 EDAB O=C(Cn1c(=O)oc2cccnc21)NCCCOc1ccccc1F 95417900 NHBRXKHIIIBEJW-UHFFFAOYSA-N 345.330 1.714 0 40 EDAB CN1C[C@@H](NC(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)CC1=O 95418670 VKDHGLUVGHCVEO-ZDUSSCGKSA-N 327.388 1.449 0 40 EDAB O=C(COc1ccc(F)cc1F)N[C@@H]1CCO[C@@]2(CCOC2)C1 95457914 DOZQZMPCAVPDOO-WBMJQRKESA-N 327.327 1.798 0 40 EDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cc(C(N)=O)c[nH]1 88201389 HFGHLPOZXBBOBB-CQSZACIVSA-N 326.400 1.984 0 40 EDAB CS(=O)(=O)Cc1nc2ccccc2n1Cc1cccc(C(N)=O)c1 73719646 RSOZJSNTIYPEMD-UHFFFAOYSA-N 343.408 1.728 0 40 EDAB O=C(C[C@@H]1COCCN1C(=O)CCc1nc[nH]n1)c1ccccc1 95965365 HJJWYVAHJXXQER-CQSZACIVSA-N 328.372 1.238 0 40 EDAB CCOC(=O)[C@@H]1CSCCN1CC(=O)Nc1ccc(F)cc1 95948767 GUIWFEDMZXUZHB-ZDUSSCGKSA-N 326.393 1.745 0 40 EDAB CCc1nc(CN2CCN(c3nc4cccnc4s3)CC2)no1 95957565 IEQMVFFWJMVKND-UHFFFAOYSA-N 330.417 1.959 0 40 EDAB Cc1ncc([C@@H](C)NCCNS(=O)(=O)c2ccccc2)c(C)n1 95967496 UTIUQKNIDAAGJO-GFCCVEGCSA-N 334.445 1.723 0 40 EDAB Cn1ccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1=O 95954288 WUAMIPFLNHHQHO-HNNXBMFYSA-N 325.368 1.089 0 40 EDAB CCc1cc(=O)[nH]c(CN(C)CC(=O)Nc2ccccc2CC)n1 89289569 HSACCODFBCNDEF-UHFFFAOYSA-N 328.416 1.965 0 40 EDAB COC(=O)[C@@H]1CN(Cc2nccn2Cc2ccccc2)C[C@@H](C)O1 89496977 ZMJMIHICKMSVQT-ZBFHGGJFSA-N 329.400 1.694 0 40 EDAB NC(=O)C[C@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)C1CC1 75148024 ZQPNIIWDLCVOFT-AWEZNQCLSA-N 341.367 1.916 0 40 EDAB Cc1ccc2cccc(S(=O)(=O)N3CC[C@H]4CCOC(=O)[C@@H]43)c2n1 89665975 VSVBBZJHGVUSOO-XJKSGUPXSA-N 346.408 1.869 0 40 EDAB O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@H]1C[C@H]1c1cccc(F)c1F 89768133 NYBPTVCKRBWCIK-USWWRNFRSA-N 329.368 1.762 0 40 EDAB Cn1cc(CCC(=O)NS(=O)(=O)c2cccc3cnccc23)cn1 69593945 MAXLAYLGCDNSQF-UHFFFAOYSA-N 344.396 1.406 0 40 EDAB CCOC(=O)c1cnc(NCc2n[nH]cc2Br)cn1 547634776 HRCGRIPDIFGBFH-UHFFFAOYSA-N 326.154 1.751 0 40 EDAB CCn1nccc1CN1CC[C@](NC(C)=O)(c2nc(C)cs2)C1 547690725 ACFCFMPSEDUGJP-MRXNPFEDSA-N 333.461 1.905 0 40 EDAB CCCNC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 409190335 XBXKECCGTHUQFC-UHFFFAOYSA-N 328.434 1.668 0 40 EDAB Cn1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1=O 30523429 QEOOHRSRFQWPHJ-UHFFFAOYSA-N 341.411 1.148 0 40 EDAB CC(C)N(Cc1ccccc1I)C(=O)CN 79420844 BIHWBKLTMQLVHV-UHFFFAOYSA-N 332.185 1.987 0 40 EDAB CCN(C(=O)N[C@@H](C)Cn1nc(C)cc1C)[C@@H](C)CS(C)(=O)=O 79036181 RBGQTJNXCCCTJM-JSGCOSHPSA-N 344.481 1.353 0 40 EDAB O=C(C1CCN(Cc2nccn2C(F)F)CC1)N1CCOCC1 78471044 KYZYFENQJQRHHK-UHFFFAOYSA-N 328.363 1.349 0 40 EDAB Cc1nn(CC(C)C)cc1S(=O)(=O)N(C)Cc1nonc1C 72390348 OGVSKRRNCYSSNH-UHFFFAOYSA-N 327.410 1.360 0 40 EDAB O=C(NCC(=O)N1CCCO1)c1csc(-c2ccc(F)cc2)n1 521396461 OOQJXQMHMUYXRF-UHFFFAOYSA-N 335.360 1.843 0 40 EDAB Cc1nnc(NC(=O)CCn2cc(Br)ccc2=O)s1 79044200 OSARBFATRBHWAR-UHFFFAOYSA-N 343.206 1.800 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@H]2CC=CC[C@H]2C1 74051869 MGTSORFTGXYPDN-BBWFWOEESA-N 348.491 1.537 0 40 EDAB CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(N)=O 71602744 FVASJFMQBNYNSN-ZDUSSCGKSA-N 336.388 1.889 0 40 EDAB CCNC(=O)C1CN(C(=O)Cc2c[nH]c3cccc(OCC)c23)C1 188298481 GNJVABVNTGDGIU-UHFFFAOYSA-N 329.400 1.704 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(N)s3)C2)cc1 222645561 CJPKPHRYKWSDSX-LLVKDONJSA-N 338.458 1.997 0 40 EDAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccc(C(N)=O)cc1 223319943 HJCSEVLLMGTESC-UHFFFAOYSA-N 347.352 1.329 0 40 EDAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C 223695688 AYAQOQLUGKFODN-HZPDHXFCSA-N 344.440 1.956 0 40 EDAB NC(=O)[C@H]1CCCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 47509170 KKHVDFVBTSHQMO-VIFPVBQESA-N 336.335 1.682 0 40 EDAB COc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 223030683 GXNFONSHNFZDJE-UHFFFAOYSA-N 348.380 1.965 0 40 EDAB O=C(c1cnc(O)c(Cl)c1)N1CCC[C@@H](Oc2cccnn2)C1 225456575 XNZBZUIKCMEJPJ-LLVKDONJSA-N 334.763 1.914 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)/C=C/c2ccc3c(c2)CCO3)cn1 80892702 UCOPTNJQJLSTIJ-MJICGBHWSA-N 327.384 1.392 0 40 EDAB Cc1cc(O)nc([C@H](C)N2CCO[C@@H](Cn3nc(C)cc3C)C2)n1 192577408 HATGCDRRUXJJJX-LSDHHAIUSA-N 331.420 1.766 0 40 EDAB CS(=O)(=O)N1CCC[C@H](Nc2ncnc3[nH]c4ccccc4c23)C1 577585643 AKBHFLFXTNCXDW-NSHDSACASA-N 345.428 1.947 0 40 EDAB Cc1ccc(NCc2cnc3n2CCN(CCN(C)C)CC3)nn1 96067942 UHNZZHFJYLUFIJ-UHFFFAOYSA-N 329.452 1.013 0 40 EDAB COC(=O)CC1CCN(C(=O)[C@H](c2ccccc2)n2cnnn2)CC1 95477549 IOIZWWKLRGZJEK-INIZCTEOSA-N 343.387 1.064 0 40 EDAB CC/C(=C\C(=O)N1CCN([C@@H](C)C(N)=O)CC1)c1ccc(C)cc1 96423740 VCGSYLTXCJFOMS-XERWBJCMSA-N 329.444 1.806 0 40 EDAB Cc1cccc(CN2CC[C@]3(CCN(C(=O)[C@@H]4CCOC4)C3)C2=O)c1 96159645 VENCPLGGPHTBKZ-YLJYHZDGSA-N 342.439 1.983 0 40 EDAB COc1nn(C)c2c1CCCN(S(=O)(=O)c1cccc(C)c1)C2 96254489 TXDJNGFPAMECDA-UHFFFAOYSA-N 335.429 1.874 0 40 EDAB O=C(NCc1ccco1)C1=NO[C@@]2(CCN(CCN3CCCC3)C2)C1 96225885 MMAREJGFNDWQFH-SFHVURJKSA-N 346.431 1.212 0 40 EDAB O=C(CO)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 96080297 ZXODCGYEMUSKGN-UHFFFAOYSA-N 328.412 1.686 0 40 EDAB Cn1cc(C[C@H]2CCN(C(=O)NCCc3cccc(O)c3)C2)cn1 96446111 SDHDQTOOQXVEAZ-OAHLLOKOSA-N 328.416 1.942 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)Cn1ncc(=O)c3ccccc31)C2 97198609 PVHCPADGNQELHT-ZDUSSCGKSA-N 337.383 1.033 0 40 EDAB COc1nn(C)cc1C(=O)NCCn1ccc(-c2cccs2)n1 96103816 UYHPTYNMTYQQQX-UHFFFAOYSA-N 331.401 1.784 0 40 EDAB COc1cc(N2CCc3nc(C(=O)N(C)C)sc3CC2)ncn1 96187578 YWBIYJCPYCCZEQ-UHFFFAOYSA-N 333.417 1.249 0 40 EDAB Cc1ccoc1C(=O)NCCCNC(=O)N[C@@H](C)Cn1ccnc1 96415296 XRCKZTYXDZDGNY-ZDUSSCGKSA-N 333.392 1.292 0 40 EDAB CC(C)NC(=O)Cc1cn2c(n1)[C@@H](C)N(CC1CCOCC1)CC2 247962542 AFYYBIKAYFUUSX-CQSZACIVSA-N 334.464 1.753 0 40 EDAB CS(=O)(=O)NC[C@@H]1CN(CCc2ccccc2)Cc2ccnn21 247487575 AJEFGOPTXKIQLU-MRXNPFEDSA-N 334.445 1.032 0 40 EDAB Cc1cc(NC(=O)N[C@H](Cc2ccccc2)c2nc(O)n[nH]2)nn1C 585135845 FWHCGBVILKGFOJ-GFCCVEGCSA-N 341.375 1.658 0 40 EDAB NS(=O)(=O)c1cc(NC(=O)C2(C(F)F)CCCC2)ccc1O 585107783 RJMXUMAPNYJMPA-UHFFFAOYSA-N 334.344 1.804 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)CCN2CCCC2)CCN1C 257255839 KJBIRYNKYZEYMO-KRWDZBQOSA-N 331.460 1.996 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)c3cn(C)nc3C)CCN2C)cc1 257262837 LNCULUJDTSHQPR-KRWDZBQOSA-N 328.416 1.866 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2Cc2ncc[nH]2)c1 257315703 VCMBVYOOGKCGRV-INIZCTEOSA-N 341.415 1.175 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCCN1C(=O)Cc1cccnc1 257279205 OFNILXHXZLOUDA-CYBMUJFWSA-N 348.428 1.505 0 40 EDAB CN(C)c1cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)ccn1 257220362 DKNCRBCSVFSNMF-AWEZNQCLSA-N 349.460 1.449 0 40 EDAB C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCC=C(Br)C1 252490026 KHPABRNTFRLMED-VIFPVBQESA-N 339.255 1.504 0 40 EDAB CCN(CC)CCNC(=O)[C@@H](C)n1cc(COc2ccccc2)nn1 257173478 ONYRMYURXFIGIO-OAHLLOKOSA-N 345.447 1.876 0 40 EDAB COc1cc(CCC(=O)N2CCC[C@@H](Cc3nccnc3N)C2)on1 257253890 KARKRJXPMSFBDR-LBPRGKRZSA-N 345.403 1.469 0 40 EDAB Cc1nccc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3C)CC2)n1 257302633 SDQMDDDLXZCEEB-RDJZCZTQSA-N 342.399 1.533 0 40 EDAB COCC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 604383263 QSENYFPILCRJHK-JENIJYKNSA-N 346.427 1.252 0 40 EDAB biogenic,in-vitro CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(=O)c2cnc(N(C)C)nc2)C1 257314382 UWSFPGGVIBYIMY-GOEBONIOSA-N 345.447 1.406 0 40 EDAB CCN1CCN2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C 253398856 HSTLHISDCFVMGA-KRWDZBQOSA-N 330.476 1.997 0 40 EDAB biogenic,in-vitro Cc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3ncccn3)C2)s1 257244383 ILAUQZKQJDAKKY-INIZCTEOSA-N 332.429 1.560 0 40 EDAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)CN)C2)ncn1 257229659 FZABATHYZXLANE-CYBMUJFWSA-N 329.404 1.488 0 40 EDAB CN(CC(CO)CO)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 1615585439 GBZNSRLPFCTENP-MRXNPFEDSA-N 338.404 1.309 0 40 EDAB CC[C@@H]1OC2(CCN(C(=O)c3cccnc3NC(C)C)CC2)NC1=O 1615588971 DTMVTPCVDTVSFW-AWEZNQCLSA-N 346.431 1.759 0 40 EDAB COCCn1cc(CNC(=O)C2CC(O)(C3CCCCC3)C2)cn1 1615626287 HVDGXXQSLXENEJ-UHFFFAOYSA-N 335.448 1.867 0 40 EDAB CCn1cc([C@@H]2OCCC[C@H]2NC(=O)N2C[C@H](C)O[C@H](C)C2)cn1 1616034914 WIKBCDSHLDPUOU-CLWVCHIJSA-N 336.436 1.942 0 40 EDAB CN(C)C(=O)C[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 575406812 URJWZCPLPHIGLO-CQSZACIVSA-N 328.372 1.264 0 40 EDAB CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1COC[C@@H](O)[C@H]1O 585287286 WXQQJRUVEIFHFG-GYSYKLTISA-N 325.748 1.279 0 40 EDAB Cc1cc(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)on1 44890386 FPCQEOFXARFZLO-UHFFFAOYSA-N 333.363 1.845 0 40 EDAB CNC(=O)Nc1ccc(C(=O)N2C[C@H]3C[C@H](NCCO)C[C@H]2C3)cc1 1095065924 RQVDPHSEWSHYPP-VBNZEHGJSA-N 346.431 1.013 0 40 EDAB CCOC(=O)c1sc2ncn(Cc3nnc(C)o3)c(=O)c2c1C 57839118 FRFKMRDPNRCVOK-UHFFFAOYSA-N 334.357 1.683 0 40 EDAB CCc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)C(C)C)CC1=O 65402365 FKFWABMUPWZESY-HNNXBMFYSA-N 345.443 1.490 0 40 EDAB CCN(CC)C(=O)CN1CCCN(c2cnnc(O)c2Cl)CC1 65554781 JJZIQFFODQURBT-UHFFFAOYSA-N 341.843 1.216 0 40 EDAB C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)Nc3cn[nH]c3)CC2)C1 66594898 AIVRFWMBLLWTCM-UONOGXRCSA-N 348.451 1.254 0 40 EDAB Cc1nc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)c[nH]1 72277903 FXMRFXCYOSXSMI-UHFFFAOYSA-N 346.818 1.899 0 40 EDAB C[C@H]1CO[C@H](CO)CN1Cc1nc2cc(Br)ccc2[nH]1 97099734 PMXNGUDGFVVYPN-ONGXEEELSA-N 340.221 1.907 0 40 EDAB COCc1ccnc(NC(=O)[C@@]2(N)CCc3c(OC)cccc32)c1 1579093788 LXKIJUJKCLVPRH-GOSISDBHSA-N 327.384 1.976 0 40 EDAB CCN(C[C@H]1CN(CCn2nc(C)cc2C)CCO1)c1cccnn1 84774625 GOVOUHKLQUPQQC-QGZVFWFLSA-N 344.463 1.517 0 40 EDAB O=C(O)C[C@]1(NS(=O)(=O)c2cc(Cl)ccc2F)CCOC1 1608689032 FXLGQFNJXODJGL-GFCCVEGCSA-N 337.756 1.391 0 40 EDAB O=C1NCC[C@@H]1C(=O)N1C[C@@H]2CC[C@]2(Nc2nc3ccccc3o2)C1 1615831909 FKRUAPSGIWOYLU-PZROIBLQSA-N 340.383 1.367 0 40 EDAB O=C(O)CNC(=O)CNC(=O)N(c1ccccc1)c1ccccc1 5774090 SSKLAXUAIKCVJD-UHFFFAOYSA-N 327.340 1.735 0 40 EDAB CC(C)[C@H](Cn1nnc2ccccc21)NC(=O)CN1CCCC1=O 12145064 LKPQPWJJTPFZLM-AWEZNQCLSA-N 329.404 1.195 0 40 EDAB COc1ccccc1-c1cc(C(=O)N2CCn3nc(C)nc3C2)n[nH]1 12221621 ACOGHTOXUPJRQB-UHFFFAOYSA-N 338.371 1.641 0 40 EDAB CC(=O)NCCc1ccc(C(=O)CSc2nnnn2C(C)C)cc1 16453469 IILFFFVBHSOAQH-UHFFFAOYSA-N 347.444 1.908 0 40 EDAB Cc1nnsc1C(=O)N1CCO[C@H](C(=O)N2CCCCCC2)C1 19747374 YFZXIRYPIIRYTM-LBPRGKRZSA-N 338.433 1.090 0 40 EDAB Cc1cnc(C(=O)N2[C@H]3CC[C@H]2Cc2c(O)nc(C)nc2C3)cn1 100219890 QLZBDLLYUFCPQD-RYUDHWBXSA-N 325.372 1.361 0 40 EDAB Cc1noc(C)c1C(=O)N1CC[C@@H](Oc2ccc(N(C)C)nn2)C1 225447152 LOLZRTWMBNTRFF-GFCCVEGCSA-N 331.376 1.441 0 40 EDAB Cn1cc([C@@H](CO)NC(=O)Cc2cc(Cl)cc3c2OCC3)cn1 543580111 KPBZPQWSESMQAO-CQSZACIVSA-N 335.791 1.401 0 40 EDAB CN1CCCc2cc(CCNC(=O)C(=O)NC[C@H]3CCCO3)ccc21 13006825 NLXRLROVFYNFLW-MRXNPFEDSA-N 345.443 1.023 0 40 EDAB Cc1cnc(N2CC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)C2)nc1 1888869599 JUWNYUDWMVSKHZ-MRXNPFEDSA-N 346.456 1.826 0 40 EDAB Cc1cc(N2CCC[C@H](C(=O)N3CCSCC3)C2)n2ncnc2n1 1889111350 UJBROSSDOYGWJU-ZDUSSCGKSA-N 346.460 1.225 0 40 EDAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)c3cccn(C)c3=O)C2)nc1 1889122707 HCXUYSNPTWNDDC-CQSZACIVSA-N 341.415 1.225 0 40 EDAB O=C(Cc1ccc(F)cc1Br)N1CC(n2nccn2)C1 1849489951 LFTBKMSXHPYVEY-UHFFFAOYSA-N 339.168 1.806 0 40 EDAB Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(=O)[nH]1 31413893 NLLCWZDUYHAYMX-SNVBAGLBSA-N 343.383 1.578 0 40 EDAB CN1N=C(C(=O)NCc2ccccc2Cn2ccnc2)CCC1=O 32313494 LROHMZPVNQOEKM-UHFFFAOYSA-N 325.372 1.156 0 40 EDAB CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@]12CCNC2 953019115 NEMJYEUCQOALCQ-CRAIPNDOSA-N 332.400 1.798 0 40 EDAB Cc1cnc(OC[C@@H]2CCCN(c3ncnc4c3ncn4C)C2)nc1 1776000742 HYBPZUPYCNIKOI-CYBMUJFWSA-N 339.403 1.757 0 40 EDAB O=C(C[C@@H](NCCOCCO)C(=O)O)Nc1ccc2ccccc2c1 4939778 APUGGEAVGMPCIZ-MRXNPFEDSA-N 346.383 1.220 0 40 EDAB CC(C)[C@@H](Cn1ccnn1)NC(=O)CNC(=O)OCc1ccccc1 575615911 IZJZGSUPYQIONK-OAHLLOKOSA-N 345.403 1.345 0 40 EDAB COC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H]3C[C@H]2CS3)c1 575616544 PJWVXIOKLWDKFL-WDEREUQCSA-N 343.426 1.360 0 40 EDAB O=C1CN(C2CCN(c3nc(C4CC4)ns3)CC2)C(=O)N1C1CC1 2298047641 ZHZAGUNDRFWJHS-UHFFFAOYSA-N 347.444 1.811 0 40 EDAB O=C(C[C@@H](C(=O)O)N1CCNCC1)Nc1ccc(Cl)cc1Cl 22592764 SMSGFDLDZGVWQG-LBPRGKRZSA-N 346.214 1.680 0 40 EDAB COc1ccc(NC(=O)C[C@@H]2N=C(N3CCOCC3)N=C2O)cc1 13733030 ZXZALABZDUSZMC-ZDUSSCGKSA-N 332.360 1.051 0 40 EDAB CCCNC(=O)CN1CCC(NC(=O)c2cc(Cl)c[nH]2)CC1 29220445 WZAJFXOHPCQSTF-UHFFFAOYSA-N 326.828 1.389 0 40 EDAB C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1ccc(F)cc1 31096189 IHRAQFUUILUBIG-NSHDSACASA-N 331.413 1.467 0 40 EDAB O=C1NCCC[C@@H]1NC(=O)[C@@H](c1ccccc1)N1CCSCC1 50633443 NIQYWTHEFKXTIN-LSDHHAIUSA-N 333.457 1.171 0 40 EDAB O=C1CCCCCN1CCCNS(=O)(=O)c1cccc(F)c1 40485755 SUEUCGFAYZUERF-UHFFFAOYSA-N 328.409 1.897 0 40 EDAB CN(CCOc1ccccc1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O 40490443 NFLZJPPTPZJEKU-HNNXBMFYSA-N 340.445 1.338 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(-c2nc(C)no2)cc1 40554841 PPTHCPNRXXSRGV-CQSZACIVSA-N 330.388 1.936 0 40 EDAB COc1cccc(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 40549309 JYVVIUSODARULB-HNNXBMFYSA-N 341.415 1.953 0 40 EDAB CCc1ccc(C(=O)N2CCN(c3nc(C)cc(OC)n3)CC2)o1 69630189 RYVQRIFILWMXAX-UHFFFAOYSA-N 330.388 1.911 0 40 EDAB CC[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1OC 11566147 NOTOSXPCXLOUKT-VIFPVBQESA-N 338.223 1.507 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)COc2ccc(CC)cc2)n1 559484 AYYFBYQCFPLMPN-UHFFFAOYSA-N 348.432 1.538 0 40 EDAB CCOC(=O)CCS(=O)(=O)NCc1cnn(-c2ccccc2)c1 69628750 UJVZULRFJMBBMS-UHFFFAOYSA-N 337.401 1.245 0 40 EDAB COC(=O)C1=NC(=S)N=C(C(=O)OC)C1(C)C(=O)c1ccccc1 1587994 LMKKEZLRGQPMFT-UHFFFAOYSA-N 346.364 1.402 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NC1CCCC1 3600765 YBCRAAPVJLWJRZ-LJQANCHMSA-N 341.411 1.829 0 40 EDAB COc1ccc(C)cc1N(CC(=O)NCCC(C)C)S(C)(=O)=O 6472970 JSJIZIWVQLCMJO-UHFFFAOYSA-N 342.461 1.932 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 6477947 AEYNELLGWNZLRT-OAFZBRQQSA-N 341.363 1.680 0 40 EDAB C[C@H]1CN(C(=O)[C@@H](C)N2CCN(c3nccs3)CC2)C[C@@H](C)O1 21334954 RMUCGIDXDQFUOO-HZSPNIEDSA-N 338.477 1.289 0 40 EDAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC[C@@H]1Cn1cncn1 69653319 ZUMZJVBQPCVMOT-IAGOWNOFSA-N 325.416 1.762 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cccc(Cl)c3C)N2N1 10152884 HCBIJCUVSRKDDX-GFCCVEGCSA-N 347.806 1.903 0 40 EDAB COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1 8298015 HNKTZCQBYMTUSW-ZNMIVQPWSA-N 349.479 1.049 0 40 EDAB biogenic,in-vitro COc1cc2nc(CN3C[C@@H](C)O[C@H](C)C3)[nH]c(=O)c2cc1OC 21554749 QUMFPKPMFLDISL-GHMZBOCLSA-N 333.388 1.550 0 40 EDAB CCN(C(=O)Cc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1 32885608 NSKWLFLOPUMVOU-HNNXBMFYSA-N 332.425 1.813 0 40 EDAB C[C@@]1(NC(=O)c2ccc(C(F)(F)F)nc2O)CCS(=O)(=O)C1 32904882 LAQBAZKOCGXHDN-LLVKDONJSA-N 338.307 1.113 0 40 EDAB CN(Cc1cnn(-c2ccccc2)c1)Cc1nc2c(cnn2C)c(=O)[nH]1 52799547 QULVBVRHPFMAEK-UHFFFAOYSA-N 349.398 1.474 0 40 EDAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)[nH]1 102723220 XLBWUXWSJHVPIL-STQMWFEESA-N 346.383 1.533 0 40 EDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1OC 9577047 FYTPIBKFLBJMLO-OLZOCXBDSA-N 340.470 1.786 0 40 EDAB O=C(Cn1ccc2ccc(Cl)cc21)NCCC(=O)N1CCOCC1 53028963 COVWRJNXLAVCKA-UHFFFAOYSA-N 349.818 1.660 0 40 EDAB CCC(CC)NC(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2 7939176 MSJXSOKBVQBXBZ-UHFFFAOYSA-N 337.372 1.928 0 40 EDAB COC(=O)C1=C(C(=O)OC)[C@]2(C)O[C@]1(C)[C@H]1[C@H]2[C@@]2(C)C=C[C@]1(C)O2 104044044 KTHANJVAENJFAJ-PFTDPEEWSA-N 334.368 1.540 0 40 EDAB CC(C)CN1C(=O)CO[C@@H]2CN(c3cc(C(F)(F)F)ncn3)C[C@H]21 107252976 QQGIWANIBIOKFZ-GHMZBOCLSA-N 344.337 1.567 0 40 EDAB CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 23625749 RFKZGKNYSMBMST-CHWSQXEVSA-N 338.385 1.664 0 40 EDAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 24106145 NMPLAUAKHQEMSW-UHFFFAOYSA-N 345.380 1.105 0 40 EDAB C[C@H](NCC(=O)N1CCNC(=O)C1)c1ccc(Cl)cc1Cl 24226838 ASRIUZJDFIHESP-VIFPVBQESA-N 330.215 1.602 0 40 EDAB O=C(C1CC1)N1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1 24593047 MEJZWYCLAYODCY-UHFFFAOYSA-N 330.363 1.930 0 40 EDAB CN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)N1CCCCC1 24756223 HYGBUEIXFZMVGT-UHFFFAOYSA-N 329.397 1.427 0 40 EDAB Cn1c(NC(=O)Cc2ccc(-n3cnnn3)cc2)nc2ccccc21 28233677 QHSDRYDNPOYQOA-UHFFFAOYSA-N 333.355 1.730 0 40 EDAB Cc1nn(C)c2cnn(CCNC(=O)COc3ccccc3F)c12 57279762 VROZUPGQJSNKGW-UHFFFAOYSA-N 331.351 1.413 0 40 EDAB O=C(CN1CCC[C@H](c2ccn[nH]2)C1)N1CCO[C@H]2CCCC[C@H]21 106901867 YAUCXAQHTGNCHI-UAGQMJEPSA-N 332.448 1.759 0 40 EDAB Cc1nc(CCN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cs1 91283132 CUJSXYXOFJKTAM-JTQLQIEISA-N 325.459 1.992 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@@H](C)N1 109067213 PHJWPTOLAIMIGV-AOOOYVTPSA-N 333.251 1.820 0 40 EDAB COc1ccc([C@@H](NCC(=O)N2CCNC2=O)c2ccccc2)cc1 58157839 QYKDXZQLWBHEDF-SFHVURJKSA-N 339.395 1.926 0 40 EDAB Cc1cc(NC(=O)CNC(=O)[C@@H]2CCCO2)ccc1Br 58230612 QXRWYVWPXLCWOV-LBPRGKRZSA-N 341.205 1.991 0 40 EDAB O=C(CSCc1ccccn1)NCCNC(=O)Cc1ccccc1 58265925 PZURUOPFSXWUSA-UHFFFAOYSA-N 343.452 1.790 0 40 EDAB CC(C)N1CCC[C@H](CNC(=O)c2ccccc2-n2cnnn2)C1 58203081 XLHWTEJODFROIX-CQSZACIVSA-N 328.420 1.513 0 40 EDAB CCOc1ccc(NS(=O)(=O)c2cn(C)c(C)n2)cc1CO 58254439 REZQMTGEBCIJMS-UHFFFAOYSA-N 325.390 1.420 0 40 EDAB O=C(C[C@H]1C=CCC1)NCCC(=O)N1CCN(c2ccccn2)CC1 58247506 DAGYEHINQGZDAF-INIZCTEOSA-N 342.443 1.593 0 40 EDAB Cc1noc(CCCC(=O)NCc2ccccc2N2CCOCC2)n1 58281634 SLODOYLSDDXFMY-UHFFFAOYSA-N 344.415 1.854 0 40 EDAB Cc1ccc([C@H](CNC(=O)CCNC(=O)[C@H]2C[C@@H]2C)N(C)C)cc1 58293658 SYBXPMZLBMEYNU-XIRDDKMYSA-N 331.460 1.876 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)NC[C@H](O)c1ccc(F)cc1 44966685 YMZLWIIPRKNFIT-AWEZNQCLSA-N 347.394 1.676 0 40 EDAB COCCN(C)CCCNC(=O)c1cnc(-c2ccccc2)nc1 58367248 JXYGFWFCLRJRDM-UHFFFAOYSA-N 328.416 1.842 0 40 EDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1ccccn1 16702708 BXFOWLHDLXDESX-NSHDSACASA-N 345.380 1.252 0 40 EDAB CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](NC(C)=O)C2)cn1 48278256 BYDBKEFPDSEFQD-MRXNPFEDSA-N 347.463 1.738 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1COc2ccccc2O1 48252409 RAOVSQIOMUSQGC-MRXNPFEDSA-N 341.367 1.697 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)NCCc2cccs2)cn1 48288762 GAUXMNNKZRYOAF-UHFFFAOYSA-N 325.415 1.911 0 40 EDAB CCOC(=O)[C@@H]1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1 48326359 VFXYKGOYCUUVFI-SECBINFHSA-N 343.309 1.923 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(Cl)s2)c1 48361664 PSZLWAFQTJTCMR-UHFFFAOYSA-N 332.834 1.862 0 40 EDAB Cc1ccc(Cn2cc(NC(=O)c3nc4ncccn4n3)cn2)cc1 36618702 YMEJBKDNEPLUHU-UHFFFAOYSA-N 333.355 1.930 0 40 EDAB COc1ccc(CNC(=O)CSc2nc(N)cc(N)n2)cc1OC 3605659 JSZWGSWOUMGXJV-UHFFFAOYSA-N 349.416 1.067 0 40 EDAB CCOC(=O)N1CCN(CC(=O)NCCCc2ccccc2)CC1 38344395 ZCOGNDCKXJHZRR-UHFFFAOYSA-N 333.432 1.510 0 40 EDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cn2ccsc2n1 69351324 BQACFYTVQSHKAK-SNVBAGLBSA-N 348.453 1.994 0 40 EDAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C2=COCCO2)cc1 8342160 FRZIXYLLZMJEAU-UHFFFAOYSA-N 340.401 1.542 0 40 EDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1cc(-c2ccccc2)on1 69744497 OHTZMQRDVQPFBG-LLVKDONJSA-N 334.397 1.924 0 40 EDAB CC1=NN(S(=O)(=O)c2cn(C)nc2C)[C@@](O)(C(F)(F)Cl)C1 17071613 DFBBDYFLJYJTKN-VIFPVBQESA-N 342.755 1.019 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CSCC(=O)NC(C)(C)C)o1 69705126 OGKDIHGOVGJTBA-UHFFFAOYSA-N 334.463 1.678 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(Cc3nccn3C)[C@H](C)C2)n1 69490242 QHALAVMVAQISCR-CQSZACIVSA-N 329.452 1.295 0 40 EDAB Cc1ccc(F)c(-n2nnnc2Cn2nnc(-c3ccsc3)n2)c1 69520909 RKLCXWDMMVRSFL-UHFFFAOYSA-N 342.363 1.873 0 40 EDAB CCC(=O)N1CCCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 69557324 DSJBFUYAZLJGRR-UHFFFAOYSA-N 344.415 1.301 0 40 EDAB O=C(CCc1nnc(-c2ccccc2)o1)N[C@H]1CCc2nccn2C1 65478736 MQQMPBZEHOLZNU-AWEZNQCLSA-N 337.383 1.997 0 40 EDAB N=C1NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1 4474055 ILUURQZRUVBUDF-QMMMGPOBSA-N 328.191 1.944 0 40 EDAB COC(=O)C1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 65547868 BXQUPGNQHWXMHC-UHFFFAOYSA-N 346.387 1.619 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1csc(-c3ccccn3)n1)CC2 65465869 AVSKMDVUURWKRF-NSHDSACASA-N 340.412 1.850 0 40 EDAB COC(=O)c1cc(Br)c(=O)n(CCc2c[nH]cn2)c1 4555729 XDPJYCPUKGGTBI-UHFFFAOYSA-N 326.150 1.363 0 40 EDAB biogenic Cc1ccccc1NC(=O)[C@H](C)N1CCN(c2ccc(=O)[nH]n2)CC1 69818101 SPMVQQVPAGHYCY-AWEZNQCLSA-N 341.415 1.228 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C 6558532 YERVXFSYPXWYGK-AWEZNQCLSA-N 345.486 1.728 0 40 EDAB CC(C)n1ccnc1CN1CCCN(C(=O)Cn2cccn2)CC1 69848685 WCJQMXJIWDNQDA-UHFFFAOYSA-N 330.436 1.395 0 40 EDAB C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Cc1cnn(-c2ccccc2)c1 69844140 PXSGXVJZFJQRBV-KBPBESRZSA-N 349.456 1.695 0 40 EDAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 4646596 NMYINRCYJSZHED-BARDWOONSA-N 345.351 1.846 0 40 EDAB Cc1c(C)c2ccc(OCC(=O)NCCCN(C)C)cc2oc1=O 6659736 WHBSWDICSLBTPM-UHFFFAOYSA-N 332.400 1.857 0 40 EDAB O=C(CN1CCC[C@@](O)(C(F)(F)F)C1)Nc1nc2c(s1)CCC2 69951720 KXKLGWZHXFROEN-ZDUSSCGKSA-N 349.378 1.960 0 40 EDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CCCCC1 8723825 QXGVROXPTHLYEX-LBPRGKRZSA-N 337.445 1.098 0 40 EDAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COc1ccccc1 8735435 QHNCCTGIDGRCJC-INIZCTEOSA-N 329.352 1.672 0 40 EDAB COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC(C(N)=O)CC2)c1 7459448 ZWOVRGYIEHKIOB-GFCCVEGCSA-N 349.431 1.078 0 40 EDAB CC(C)CNC(=O)[C@H](C)NCc1nnc2n1CCC[C@@H]2C(F)(F)F 89840227 XPDNURNEQURAHB-QWRGUYRKSA-N 347.385 1.968 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 22516302 QXMBGTGSCTYNCI-GDBMZVCRSA-N 334.391 1.973 0 40 EDAB Cc1cc(C)n([C@H]2CCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)n1 75602781 FGRWGNIMWLOZJP-HNNXBMFYSA-N 343.431 1.606 0 40 EDAB CCOC(=O)CN(C)C(=O)CN1C[C@@H](C)Oc2ccc(Cl)cc21 76089621 GXNBYLUFAPERIR-LLVKDONJSA-N 340.807 1.949 0 40 EDAB CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]2c2cccn2C)CC1=O 76092729 XEUNNKKSKASYJU-ZBFHGGJFSA-N 332.448 1.099 0 40 EDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(OC)cc1 9485392 WEZKBKSXZZVPJC-UONOGXRCSA-N 340.470 1.786 0 40 EDAB CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nc(C(C)C)n[nH]1 9451059 DHWPRZWQXWMNLO-LLVKDONJSA-N 340.449 1.964 0 40 EDAB CCC1(C)COC2(OC1)C(=O)N(CN1CCOCC1)c1ccccc12 19831363 FHPGGZFVZCSXRV-UHFFFAOYSA-N 346.427 1.939 0 40 EDAB CCS(=O)(=O)NCCN1CC[C@H](C)N(Cc2ccccc2)CC1 76089722 SCUFFYAIZAZYEK-INIZCTEOSA-N 339.505 1.522 0 40 EDAB CN1CCC[C@H]1C(=O)N1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 93821280 ZQLAPRAHXAQCCB-HNNXBMFYSA-N 333.480 1.446 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(OCC(N)=O)cc2)cn1 71796924 KWJGGFHYDDKPKJ-OAHLLOKOSA-N 328.372 1.262 0 40 EDAB O=C(NCc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 72298227 PFJCCELLKUKZFX-UHFFFAOYSA-N 337.426 1.970 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cccc(OCC(N)=O)c2)c1 71869779 PHYNGPIHTHRMOF-OAHLLOKOSA-N 342.399 1.360 0 40 EDAB Cc1ncc2c(n1)CN(CC1=NS(=O)(=O)c3ccccc3N1)CC2 71859683 GMGQYKPJJPWJGL-UHFFFAOYSA-N 343.412 1.356 0 40 EDAB CC(C)COc1ccc(C(C)(C)CNC(=O)c2n[nH]c(=O)[nH]2)cc1 71883711 FNESZISJUWGICH-UHFFFAOYSA-N 332.404 1.840 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1 71881952 CHBJRMGAHSYKBB-ZDUSSCGKSA-N 328.359 1.120 0 40 EDAB O=C(CN1CCCC1=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 118700422 RJFFHEMPLLACGJ-HOTGVXAUSA-N 332.400 1.930 0 40 EDAB CN(C)C(=O)CC1CCN(C(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)CC1 97080548 CJCOIJOGORBDPE-HZPDHXFCSA-N 338.496 1.759 0 40 EDAB COCCOc1ccc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)cn1 72301133 VFWOOUVTWFVUKQ-AWEZNQCLSA-N 346.387 1.818 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCO[C@H](CNc2cccnn2)C1 78894224 NLIHEUCEYPUJLV-DGCLKSJQSA-N 330.392 1.611 0 40 EDAB CN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)c1cnn(C)c1 72720810 IMZLDLNBSOIHMY-UHFFFAOYSA-N 340.352 1.716 0 40 EDAB CCC(C)(C)NC(=O)Cn1nnc(-c2cccc(C(=O)OC)c2)n1 84721093 AWQZVSACSIIFEK-UHFFFAOYSA-N 331.376 1.432 0 40 EDAB O=C(COCCOc1ccccc1)N[C@H]1CCCCC12OCCO2 95431178 YGQKDXONEIOVFN-INIZCTEOSA-N 335.400 1.884 0 40 EDAB CCc1ccc(CNC(=O)NCC2CCS(=O)(=O)CC2)s1 95440229 BPGLWNJXDJVQRH-UHFFFAOYSA-N 330.475 1.935 0 40 EDAB COC(=O)[C@H](O)C1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 95432433 SCOOWMUSRHJMNH-OAHLLOKOSA-N 337.807 1.734 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)/C=C/c2cn(C)c3ccccc23)cn1 79000668 CRBUUGUDNBZGHS-CSHXORCISA-N 338.411 1.949 0 40 EDAB C[C@H](CC(=O)N1CCC[C@@H]1CS(N)(=O)=O)Cc1cccc(F)c1 73619343 INZAYIKWNUEESX-SWLSCSKDSA-N 342.436 1.674 0 40 EDAB Cc1ccc(C)n1-c1c(C(=O)NCc2nccc(N)n2)cnn1C 95993376 ZMNDTOMDQYVFPM-UHFFFAOYSA-N 325.376 1.130 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)NCc2cccc3cccnc23)C1 89382518 CZMDKGFZGGQXNF-MRXNPFEDSA-N 327.432 1.280 0 40 EDAB CN(C(=O)[C@@H]1CNC(=O)N1)C1CCN(c2ccc(Cl)cc2)CC1 89335077 HGNBRUOBCPMDHO-AWEZNQCLSA-N 336.823 1.449 0 40 EDAB CN(C)[C@@H](CNC(=O)NCC(C)(C)N1CCOCC1)c1ccco1 89761767 SBVDEJSMGUDHGJ-AWEZNQCLSA-N 338.452 1.292 0 40 EDAB O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc2cc[nH]c2c1 129770396 IWBSJWUKLYLVJQ-MGBSGCIJSA-N 349.390 1.705 0 40 EDAB CCN(CC)CCNC(=O)Cn1nc(C)c(Br)c1C 32502483 WCFRLZAAMQJXSK-UHFFFAOYSA-N 331.258 1.720 0 40 EDAB CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(F)cc2)nn1 1032705921 QSWCZWDSXGCKAK-HOTGVXAUSA-N 343.406 1.926 0 40 EDAB Cn1nc2c(c1NC(=O)CCS(=O)(=O)c1ccccc1)CCC2 38510613 CYVVPVCYUNYHHT-UHFFFAOYSA-N 333.413 1.711 0 40 EDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C(=O)O)cc1 218099532 KEDYNGYMYLNWCZ-BFYDXBDKSA-N 347.392 1.417 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CSc1cn[nH]c(=O)n1 31773569 KBQDIUXESIDREJ-UHFFFAOYSA-N 326.765 1.558 0 40 EDAB CCN(CC(=O)NCCC(C)C)S(=O)(=O)c1ccc(F)cc1 39985595 MCSHLYBWXFIGOG-UHFFFAOYSA-N 330.425 1.999 0 40 EDAB CCCc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)n[nH]1 77614481 TWMYCVICACQOFK-BBRMVZONSA-N 327.388 1.915 0 40 EDAB COCC[C@H]1COCCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 521394254 KABUMCOWMXDTOM-HNNXBMFYSA-N 345.399 1.808 0 40 EDAB CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 72859185 OFHDGVZZOLBNHF-AWEZNQCLSA-N 331.416 1.439 0 40 EDAB Cc1[nH]c2ncnn2c(=O)c1CCOC(=O)c1cccn1C(C)C 131593389 BCKZZOXSPDCEAV-UHFFFAOYSA-N 329.360 1.508 0 40 EDAB COc1cc(C)n(CCNC(=O)c2cccc(OC)c2OC)c(=O)c1 225614748 QPDWYJHGECEHRT-UHFFFAOYSA-N 346.383 1.613 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)N[C@H](CO)Cc1ccccc1 133390708 VZCMRNNGSWLNMU-DLBZAZTESA-N 326.396 1.893 0 40 EDAB CS(=O)(=O)CCS(=O)(=O)N(CC1CCC1)c1ccccc1 84042675 BAAGEORJTGDOTO-UHFFFAOYSA-N 331.459 1.668 0 40 EDAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CC[C@H](N2CCCC2)C1 81081793 AFGAUHMIWLFVEI-JKSUJKDBSA-N 333.436 1.764 0 40 EDAB Cn1c(NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)nc2c(F)cccc21 527565277 HSTWGMDEQHYTGO-NRUUGDAUSA-N 330.367 1.797 0 40 EDAB O=C(c1nnn(-c2ccc(C(F)(F)F)cc2)n1)N1CCC(O)CC1 75163683 JCELZUMLFDHNNU-UHFFFAOYSA-N 341.293 1.278 0 40 EDAB O=C(NC[C@H]1NCCc2ccccc21)c1ccc2c(O)ncnc2c1 1580672330 AXVMBSGMEXWXON-QGZVFWFLSA-N 334.379 1.952 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(COc3ccccn3)C2)on1 96109067 RORGUYDGXAFCNT-DYVFJYSZSA-N 329.356 1.546 0 40 EDAB O=C1NCCO[C@H]2CN(C(=O)CC3Cc4ccccc4C3)CC[C@@H]12 96107078 HRNBJLULWNCALK-SJORKVTESA-N 328.412 1.155 0 40 EDAB Cc1oncc1C(=O)N1CCC[C@@]2(CCCN2S(C)(=O)=O)C1 96071559 AFMMUCNYBFRCAI-CQSZACIVSA-N 327.406 1.013 0 40 EDAB Cc1ccnc(OC[C@@]23CCO[C@@H]2CCN(C(=O)c2cocn2)C3)n1 96110468 GYGLHBPBOZQGGX-PBHICJAKSA-N 344.371 1.473 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(c2nnc(C3CC3)s2)CC1 96482696 GMCARWWWBUUCLS-UHFFFAOYSA-N 347.444 1.912 0 40 EDAB O=C(c1cscn1)N1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]21 96080487 QMTBNSXGJMAPQY-BXUZGUMPSA-N 349.437 1.288 0 40 EDAB CN(Cc1cccnc1)Cc1cn2c(n1)CN([C@@H]1CCOC1)CC2 96197492 BOOYGCLNMKLTEI-QGZVFWFLSA-N 327.432 1.515 0 40 EDAB Cn1cccc1C(=O)N1CC2(CCN(C(=O)c3cscn3)C2)C1 96046444 ARFUWQFITMQTBD-UHFFFAOYSA-N 330.413 1.470 0 40 EDAB Cc1ccc(F)c(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)c1 96420591 WHSKDNAWILTCDC-UHFFFAOYSA-N 325.365 1.628 0 40 EDAB Cc1cnn(CCCNC(=O)c2nn(-c3ccccc3)cc2O)c1 96436272 MYTUTTMKGYCEBX-UHFFFAOYSA-N 325.372 1.903 0 40 EDAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1ccc(F)cc1)C2 96071513 NPNYSFNKSDXPFI-INIZCTEOSA-N 340.420 1.856 0 40 EDAB CS(=O)(=O)N1CCC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 96208941 YLOQBBMHVBMQIM-FZMZJTMJSA-N 330.381 1.183 0 40 EDAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2ccc(F)cc2)cn1 96184627 XQBJFEXCTCJCBG-ZWKOTPCHSA-N 342.418 1.977 0 40 EDAB O=C(c1cc[nH]n1)N1CCC2(CC1)C[C@H](Oc1cccnc1)CO2 96073239 ODHXASDMMQLIAV-AWEZNQCLSA-N 328.372 1.647 0 40 EDAB COc1ccc2nnc(CCCC(=O)NCc3cccn3C)n2n1 95478717 JNCXFYOMNLZWHO-UHFFFAOYSA-N 328.376 1.111 0 40 EDAB O=C(c1cnccn1)N1C[C@H]2CN(C(=O)c3cccs3)C[C@H]2C1 96053974 FTMPLPRQZGDTNF-TXEJJXNPSA-N 328.397 1.382 0 40 EDAB O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 583620369 BNOSERNNICRGET-ARFHVFGLSA-N 342.399 1.474 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)N3CCCC3)O[C@H]2C1 96043185 GRIDWCSCNVSJKV-UAGQMJEPSA-N 333.432 1.893 0 40 EDAB CS(=O)(=O)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 247510237 IDLBHXPURDVSFA-CYBMUJFWSA-N 326.418 1.039 0 40 EDAB O=C(N[C@H]1CCN(C(=O)COc2ccccc2)C1)[C@H]1CCCOC1 252502835 UULGPUNRIAOYIW-GJZGRUSLSA-N 332.400 1.209 0 40 EDAB CN(C[C@@H](O)C(F)(F)F)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 253371042 ZWTRWRKVWYPHFA-NWDGAFQWSA-N 330.306 1.169 0 40 EDAB Cc1cc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)n2nccc2n1 257246366 ITULMWRARVWYAU-CYBMUJFWSA-N 338.367 1.950 0 40 EDAB Cc1nccc([C@H]2CN(S(=O)(=O)c3ccccc3F)CCO2)n1 257253490 JZDHDARGTIPQBF-CQSZACIVSA-N 337.376 1.686 0 40 EDAB Cn1ccnc1-c1cncc(C[C@@H]2CCN(C(=O)c3ccncc3)C2)n1 257199813 AAXHXHCMOAOYLJ-AWEZNQCLSA-N 348.410 1.977 0 40 EDAB CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN1CC[C@H](C(N)=O)C1 585086180 XJJQQQZMZQSZAE-QWRGUYRKSA-N 333.379 1.438 0 40 EDAB Cn1ncc(C(=O)O)c1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 585135134 ZEFVQEBQJIYBQO-CYBMUJFWSA-N 349.774 1.985 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)Cc2cccnc2)n1 257244855 INBWJXKXEKWEID-AWEZNQCLSA-N 327.388 1.364 0 40 EDAB Cc1nn(C)cc1C(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 257336238 YNQHQDVVJSCEBV-KRWDZBQOSA-N 329.404 1.864 0 40 EDAB CNc1cc([C@H]2CCCN2S(=O)(=O)c2cccnc2)nc(C)n1 257212041 CBRHPOXGQRCLKA-CQSZACIVSA-N 333.417 1.748 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@@H]1c1cccc(OC)c1 257238801 HMPIWNNLJXYMGA-AEFFLSMTSA-N 346.427 1.854 0 40 EDAB CC(=O)n1ccc2cc(C[C@H]3COCCN(CC(=O)O)C3)ccc21 257273413 NGMCAOUZVQVEQR-OAHLLOKOSA-N 330.384 1.877 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)N1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1 585655621 LQLRGPYRUHNAAR-RNFRBKRXSA-N 339.701 1.717 0 40 EDAB CCCn1cc(-c2cnc(C[C@@H]3CCN(S(C)(=O)=O)C3)cn2)cn1 257301118 RXBKYXQTTRSSIB-ZDUSSCGKSA-N 349.460 1.574 0 40 EDAB CC(=O)N1CCC(Cc2cnc(CN3CCSCC3)cn2)CC1 257271942 NAKRRLUFSANXMT-UHFFFAOYSA-N 334.489 1.826 0 40 EDAB O=C(O)c1cccc(CC(=O)N2CCC(O)(C(F)(F)F)CC2)c1 263509075 BXLZMDWPBZDQJG-UHFFFAOYSA-N 331.290 1.843 0 40 EDAB O=C(O)c1cccc(CN2CCN(CC(=O)N3CCCCC3)CC2)c1 263172106 RWHBIOYMJCBVGL-UHFFFAOYSA-N 345.443 1.515 0 40 EDAB CCO[C@@H](CS(=O)(=O)Nc1ccc2ncnc(O)c2c1)C1CC1 1615587565 HQFASLXOBNVBFM-AWEZNQCLSA-N 337.401 1.892 0 40 EDAB COCCn1ncc2c1[C@H](NC(=O)c1ccnn1C(F)F)CCC2 1615557639 WWFMQEXUYFGQTJ-LLVKDONJSA-N 339.346 1.929 0 40 EDAB CCCCn1nnnc1Cn1cc(C(=O)OC(C)(C)C)ccc1=O 1616035337 XRZBRCVBFFLMFZ-UHFFFAOYSA-N 333.392 1.639 0 40 EDAB O=C(NC1CC1)[C@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 575404949 FWVTZEYKJRXREP-OAHLLOKOSA-N 326.356 1.064 0 40 EDAB Cc1nc2ccc(N3C(=S)N[C@H]4CS(=O)(=O)C[C@H]43)cc2s1 575424286 UMVZDJRGLFFNOO-WDEREUQCSA-N 339.467 1.465 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1coc(C)n1 585288006 MEOGLQPPPREGNZ-SUMWQHHRSA-N 335.404 1.661 0 40 EDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2ccccn2)Cc2ccnn21 585112750 VRMRQCJGCZZSBN-INIZCTEOSA-N 349.460 1.164 0 40 EDAB CCCS(=O)(=O)N1CCn2cc(CC(=O)NC(C)C)nc2[C@H]1C 585096312 HUCPFPLYUCWBNH-GFCCVEGCSA-N 342.465 1.067 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O 55453254 WFVJIYQFXMFHSE-ZBFHGGJFSA-N 343.427 1.657 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)c1 69418495 GAGROPVOVJKHFB-AWEZNQCLSA-N 340.383 1.963 0 40 EDAB CC(C)CS(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 69623580 GXJMNKKXBRIDOJ-INIZCTEOSA-N 326.462 1.463 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CC[C@@H](Oc2nccs2)C1 585320360 XOXGBBYIYDJMDE-BXUZGUMPSA-N 332.381 1.963 0 40 EDAB O=C(CNC(=O)c1ccccc1I)NC1CC1 5062279 OVBDJWQUYVHXAJ-UHFFFAOYSA-N 344.152 1.300 0 40 EDAB Cc1cccc(OC[C@@]2(O)COCCN(Cc3cncn3C)C2)c1 1615192458 TZZBRVWGCDULKK-SFHVURJKSA-N 331.416 1.371 0 40 EDAB CCCC(=O)N1CCc2cc(Br)c(S(N)(=O)=O)cc21 1616180189 RZLCXGWUAWRIGO-UHFFFAOYSA-N 347.234 1.786 0 40 EDAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(S(C)(=O)=O)C2)on1 12118481 BVXTURPHQKVKIE-GFCCVEGCSA-N 336.417 1.887 0 40 EDAB COc1ccc(C(=O)N[C@H]2CCC(=O)N[C@H]2c2cccnc2)cc1 12147986 SDHCAQFITNMFNQ-RDJZCZTQSA-N 325.368 1.840 0 40 EDAB Cn1c(=O)c2c(-c3ccc(F)cc3)n(C(C)(C)CO)cc2n(C)c1=O 12391630 DRNOVPTUCGTJRD-UHFFFAOYSA-N 345.374 1.572 0 40 EDAB CCC[C@H](NC(=O)NCC(=O)N1c2ccccc2CC[C@@H]1C)C(=O)O 12865743 VSRODSJJMLGNHP-JSGCOSHPSA-N 347.415 1.907 0 40 EDAB COC(=O)C[C@@H](NC(=O)[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(=O)OC 15108473 LMYZZFMHOYGRJD-REWJHTLYSA-N 327.421 1.916 0 40 EDAB Cc1cc2nc(C)c(CCC(=O)NCCc3cnccn3)c(C)n2n1 19129025 PUMNWDDJUFCFMP-UHFFFAOYSA-N 338.415 1.736 0 40 EDAB COCCN1C[C@H](c2cc(=O)[nH]c(N3CCCCCC3)n2)CC1=O 19593377 SXJXCGUIHDYNQO-CYBMUJFWSA-N 334.420 1.113 0 40 EDAB COc1cccc(Cl)c1CC(=O)NC[C@](C)(O)c1cnn(C)c1 153720183 XHFZRBCCBCNAJA-INIZCTEOSA-N 337.807 1.649 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)no1 1888853390 RCVVRGBWNZRDSI-ZIAGYGMSSA-N 339.399 1.859 0 40 EDAB CSCC[C@H](O)CNC(=O)CCc1ccc(S(C)(=O)=O)cc1 1888911979 YDRDCYGQYITRIS-ZDUSSCGKSA-N 345.486 1.253 0 40 EDAB Cc1cc(N2CCN(c3ccc4nccn4n3)CC2)n2nccc2n1 1888913930 WDGGPQQCWREKTF-UHFFFAOYSA-N 334.387 1.407 0 40 EDAB CCN=c1nc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)cc[nH]1 1889096055 QRZXTVWYDKDJLA-UHFFFAOYSA-N 341.463 1.744 0 40 EDAB O=C1CC[C@@H](c2nc(CNC(=O)Nc3ccc(F)c(F)c3)no2)N1 1775963942 KUTCWVMEULTKFA-JTQLQIEISA-N 337.286 1.621 0 40 EDAB biogenic,in-vitro CCc1cnc(OC2CCN([C@H]3CCN(C4CC4)C3=O)CC2)nc1 1776009143 IMWFMDXDVBMTPU-INIZCTEOSA-N 330.432 1.646 0 40 EDAB CC(=O)N[C@H]1CC2(CCN(Cc3ncccc3C)CC2)OC[C@]1(C)O 2037849783 JIKHXWJHOYWRJE-ROUUACIJSA-N 347.459 1.401 0 40 EDAB O=C(c1cccs1)N1CCO[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 1565542485 GSJIWVQRVKBDBI-KBXCAEBGSA-N 342.420 1.873 0 40 EDAB O=C([C@H]1CCOC1)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 1565546568 HHGBFACQBJLKKW-KBXCAEBGSA-N 329.400 1.464 0 40 EDAB CC(C)NC(=O)[C@H]1CCC2(CCN(C(=O)c3ncn(C)n3)CC2)C1 1565550150 RJFIGIKLZFJFOJ-ZDUSSCGKSA-N 333.436 1.362 0 40 EDAB COc1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1OC 4107198 GPAKZADIZLFYLG-UHFFFAOYSA-N 333.300 1.684 0 40 EDAB Cc1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)n1 4330282 KAHKYPJUNZIIFC-NSHDSACASA-N 345.380 1.562 0 40 EDAB CCCNC(=O)CSc1nnc(-c2cn(C)nc2OC)n1CC 12422642 DBCXFXXFIONNQK-UHFFFAOYSA-N 338.437 1.325 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COc3ccccn3)C2)cn1 2055716061 VOJVWARLJOIKDL-APWZRJJASA-N 339.395 1.953 0 40 EDAB CC(C)NC(=O)[C@H]1CN(C(=O)[C@H]2CC[C@H](C)CC2)Cc2ncnn2C1 2055713232 JKLCWVMAZSDSOY-KKUMJFAQSA-N 347.463 1.587 0 40 EDAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)c2cocn2)C1 2055750857 FKDLNSFPHMJPRU-SFHVURJKSA-N 342.399 1.850 0 40 EDAB CCOCC(=O)N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055745514 GBVZYKNRKDVGKX-LLVKDONJSA-N 347.371 1.208 0 40 EDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(c3ncccn3)C2)C1 2055835427 FHPVBWSEIZHRCR-KRWDZBQOSA-N 338.371 1.626 0 40 EDAB O=C(c1nc(-c2cnccn2)no1)N1CCn2c1nc1ccccc12 42381607 HJHKHQHFVNCDKJ-UHFFFAOYSA-N 333.311 1.537 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1ccc(-c2ccnn2C)nc1 575620214 RAHFMKTXAWFTJN-UHFFFAOYSA-N 347.400 1.565 0 40 EDAB C[C@@H](C(=O)NCCn1c(=O)[nH]c2ccsc2c1=O)c1ccccc1 225806552 JRAJQSNLGFXQSD-LLVKDONJSA-N 343.408 1.671 0 40 EDAB O=C(C[C@H](C(=O)O)N1CCNCC1)Nc1cc(Cl)ccc1Cl 22592778 CFATZDUUAUFCJW-GFCCVEGCSA-N 346.214 1.680 0 40 EDAB O=C(COc1ccccc1F)NC[C@@]1(O)CCOc2ccccc21 75158104 MFWQNXGOSLLZAU-SFHVURJKSA-N 331.343 1.991 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1CCn1c(=O)oc2ccccc21 26004790 GDYAVHSADPFWDD-UHFFFAOYSA-N 329.356 1.849 0 40 EDAB O=C(NCCCn1cccn1)Nc1cc(C(F)(F)F)c[nH]c1=O 50038692 CWNBMQQSJWAVEN-UHFFFAOYSA-N 329.282 1.802 0 40 EDAB CCN(C(=O)CN(Cc1ccco1)C1CC1)[C@H]1CCS(=O)(=O)C1 40497723 QZXBUUPXVHYDDX-AWEZNQCLSA-N 340.445 1.280 0 40 EDAB Cc1cc(C)n(CC(=O)NCc2cccnc2N2CCOCC2)n1 40497934 QOEQVVMGZJNVFJ-UHFFFAOYSA-N 329.404 1.048 0 40 EDAB Cc1cccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)n1 40493361 DHUFASXBAHOKRF-ZDUSSCGKSA-N 334.397 1.813 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2nc3nc(C)cc(C)n3n2)C1 40475377 FUSUTQGGRLZMDG-LBPRGKRZSA-N 331.376 1.156 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)c(C)c2)o1 31594241 YTVVWXLRVLYLEQ-UHFFFAOYSA-N 326.349 1.565 0 40 EDAB CN(CC1CCCCC1)C(=O)CCNS(=O)(=O)c1cccnc1 40511987 SQOXEWNFFWLPEW-UHFFFAOYSA-N 339.461 1.789 0 40 EDAB COc1cc(C(=O)N[C@@H](C(=O)N(C)C)C(C)C)cc2c1OCCO2 40527808 RBJGEYSJHLLMGV-CQSZACIVSA-N 336.388 1.309 0 40 EDAB O[C@H](CN1CCN(Cc2ccc(Cl)cc2)CC1)Cn1cccn1 51291509 WVZAVIHNWYCHBP-QGZVFWFLSA-N 334.851 1.715 0 40 EDAB Cc1nn2c(=O)c3c(cc(C)n3CC(=O)N3CCCCC3)nc2s1 51357383 NEDQMQYILOVKAJ-UHFFFAOYSA-N 345.428 1.735 0 40 EDAB Cc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1Cl 224219 JBXKBJVAENFYPB-UHFFFAOYSA-N 329.765 1.134 0 40 EDAB O=C(COc1ccc2c(c1)CCC2)N1CCN(c2cnccn2)CC1 11542719 NNVNICFNRCMPMI-UHFFFAOYSA-N 338.411 1.693 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(N2CC=CC2)c1 101358335 LBYVQUSQVOGHMF-GOSISDBHSA-N 335.407 1.889 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCOC1 69332915 ZZMPITDTXVKECX-CYBMUJFWSA-N 338.429 1.253 0 40 EDAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ccccc1 1936037 VZJNNTCNAQUGON-UHFFFAOYSA-N 338.319 1.465 0 40 EDAB O=C(NCCCN1CCCC1=O)c1cc(-c2ccc(F)cc2)[nH]n1 32824860 VVOMSIOYWWUERY-UHFFFAOYSA-N 330.363 1.958 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1 32907605 UHXKAHJWBKSQNQ-UHFFFAOYSA-N 349.456 1.641 0 40 EDAB Cc1ccc(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)cc1 52750535 XZZOURMIZMXZPH-MRXNPFEDSA-N 345.443 1.000 0 40 EDAB Cc1csc2nc(Cn3ncc(Cl)c(Cl)c3=O)cc(=O)n12 22367807 VHOOUEYZOSAJBY-UHFFFAOYSA-N 343.195 1.976 0 40 EDAB C[C@H]1CCCN(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 46863315 AFJAZMZLSQSRAX-LSDHHAIUSA-N 333.432 1.476 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1Cc1cn2cc(Cl)ccc2n1 22934262 CUGDPCUOAPXASI-AWEZNQCLSA-N 336.804 1.915 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2csc(Br)c2)CC1 42346429 ULWAYONIEYGVCX-UHFFFAOYSA-N 346.250 1.918 0 40 EDAB CNC(=O)NC(=O)[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1 23717776 PWRWUWLNRYEUGK-INIZCTEOSA-N 341.367 1.702 0 40 EDAB NS(=O)(=O)c1cnc(NCc2ccc(Cn3ccnc3)cc2)s1 79047553 QJUIPJPXJDRGKM-UHFFFAOYSA-N 349.441 1.647 0 40 EDAB Cc1cnc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)cn1 24695665 YNIAAMSIPYEXOM-UHFFFAOYSA-N 325.324 1.628 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCCNc2ccccn2)c1C 79103804 ONEIGQLIHPTVRI-UHFFFAOYSA-N 349.412 1.567 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNc2cc(N3CCC[C@H]3CO)ncn2)n1 106905919 DQINBVRGGJZVOE-BBRMVZONSA-N 344.463 1.999 0 40 EDAB COc1ccc([C@@H](CC(=O)N2C[C@H](C)O[C@H](C)C2)NC(C)=O)cc1 25374922 JQDHINZOPYUQLZ-IIYDPXPESA-N 334.416 1.898 0 40 EDAB CCOc1cccc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)c1 44025963 YYDIMBZDXHPAMX-APGQMXJTSA-N 341.388 1.920 0 40 EDAB Cc1ccc(-c2csc3nc4c(c(=O)n(C)c(=O)n4C)n23)cc1 27027798 SIZWWQMYVUNWHN-UHFFFAOYSA-N 326.381 1.922 0 40 EDAB CCO[C@H](C(=O)N1CCC[C@H]([C@@H]2NC(=O)NC2=O)C1)c1ccccc1 108483293 RMGHSMKGQOIIBD-KKUMJFAQSA-N 345.399 1.211 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1COc2ccccc2O1 35686320 ITLUQYSOARYKJW-XJKSGUPXSA-N 327.336 1.639 0 40 EDAB CCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)n[nH]c1=O 12683937 NGSUXWSMAIAKNQ-UHFFFAOYSA-N 347.400 1.059 0 40 EDAB CNC(=O)CN1CCC(NC(=O)NC2CC(c3ccccc3)C2)CC1 77420265 KXNQMKMZMGYHCI-UHFFFAOYSA-N 344.459 1.442 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)n[nH]c1C(N)=O 78601475 JSERGVYHVHZSGV-UHFFFAOYSA-N 328.781 1.580 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)ccc1C 408594250 ODOGYYZSOVFOAR-UHFFFAOYSA-N 347.396 1.254 0 40 EDAB Cn1cc(C(=O)NCC(=O)Nc2ccccc2Br)cn1 8303488 PJOJULHXUDDJQR-UHFFFAOYSA-N 337.177 1.551 0 40 EDAB O=C1CC[C@@H](C(=O)NCc2cccnc2OCC(F)(F)F)CN1 48113501 GGNYGIHECODNHZ-SECBINFHSA-N 331.294 1.165 0 40 EDAB C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(-n2cc(C(N)=O)nn2)cc1 44978026 SMFOHUPYWCSDHJ-FZMZJTMJSA-N 343.387 1.113 0 40 EDAB Cc1nn2c(=O)cc(CN3CCC(c4cc[nH]n4)CC3)nc2s1 58393061 GNUMWZYYJGNRLM-UHFFFAOYSA-N 330.417 1.562 0 40 EDAB C[C@@H](C(=O)NCCCCCC(=O)O)n1nnc2ccccc2c1=O 2221459 JLDCBCSVNNFBMZ-NSHDSACASA-N 332.360 1.114 0 40 EDAB NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 10706542 LPJXMAAXTGGYRB-UHFFFAOYSA-N 348.380 1.134 0 40 EDAB C[C@H]1CN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C[C@H](C)O1 48274501 CSWLETRHCXNFBO-STQMWFEESA-N 339.399 1.718 0 40 EDAB Cn1cnc(S(=O)(=O)N(Cc2ccncc2)C2CC2)c1Cl 37984297 HEKGVTBWYUBDAW-UHFFFAOYSA-N 326.809 1.822 0 40 EDAB O=C1CNC(=O)N1Cc1ccnc(OCc2ccc3c(c2)OCO3)c1 48340291 HYTBUHZXIUWGQH-UHFFFAOYSA-N 341.323 1.441 0 40 EDAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CCS(C)(=O)=O)C1=O 48324265 YMUWWLQAQMTRFI-QGZVFWFLSA-N 346.408 1.651 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)c2ccc(C)c(OC)c2)CC1 12934448 ICEVUHGJXPYXKC-UHFFFAOYSA-N 340.445 1.548 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)Nn2cnc3ccccc32)c1 12907733 XAQAVISBBQCCQJ-UHFFFAOYSA-N 344.396 1.671 0 40 EDAB CC(C)c1cc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)on1 69445173 ISEYOZXADQRKMT-CYBMUJFWSA-N 333.392 1.334 0 40 EDAB COc1cccc(-c2n[nH]cc2CNC[C@@H]2CCS(=O)(=O)C2)c1 48709534 QJSFAJPHWCSHCH-LBPRGKRZSA-N 335.429 1.610 0 40 EDAB Cc1cc(NC(=O)CCN2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)no1 78892793 AFRCFJGITAXODD-LBPRGKRZSA-N 348.407 1.627 0 40 EDAB NC(=O)C1CCN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC1 13038506 CTQBFWPGHHMGSJ-UHFFFAOYSA-N 336.775 1.849 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccccn2)cc(C)c1C 17167813 ZFNCODQUXGTIJC-UHFFFAOYSA-N 333.413 1.537 0 40 EDAB Cc1ccc(NC(=O)CNc2ccccc2C(=O)NCCO)cc1F 69705287 JHDCLALUNWPENG-UHFFFAOYSA-N 345.374 1.907 0 40 EDAB CC(=O)NC1(C(=O)NCCC(=O)NC2CCCC2)CCC(C)CC1 64311285 ZITWWZFHNGLBFS-UHFFFAOYSA-N 337.464 1.637 0 40 EDAB Cc1c(C(=O)NCCc2ccccc2)cnn1[C@H]1CCS(=O)(=O)C1 49658129 RBKMMNBACCOLMQ-HNNXBMFYSA-N 347.440 1.524 0 40 EDAB C[C@H](NC(=O)N[C@H](C(N)=O)c1ccccc1)C(=O)N1CCCC[C@H]1C 69893593 YDFNRIWLLDMEAM-IPYPFGDCSA-N 346.431 1.302 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2nnc3n2CCC3)n1 65390697 YTVMBDBIMWWKTD-GFCCVEGCSA-N 345.451 1.515 0 40 EDAB c1ccc(-n2nnnc2CCCN2CCC[C@@H]2Cn2cccn2)cc1 69902141 FBKFAKBKSCTCSX-QGZVFWFLSA-N 337.431 1.956 0 40 EDAB O=S(=O)(c1cccnc1)N1CCc2[nH]nc(C(F)(F)F)c2C1 69972137 VYCYDZDNKFQWEA-UHFFFAOYSA-N 332.307 1.571 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cccnc2N2CCCCC2)CC1 69920804 CETCJBLQUZDJJV-MRXNPFEDSA-N 346.475 1.601 0 40 EDAB Cc1sc(-c2ccc(O)cc2)nc1-c1c(N)n(C)c(=O)n(C)c1=O 14085404 AAYBTMQCNOEJMF-UHFFFAOYSA-N 344.396 1.471 0 40 EDAB COCCOc1ccc(NC(=O)NCc2cn3c(n2)CCCC3)cn1 65543097 REIXNWHKUCGEER-UHFFFAOYSA-N 345.403 1.961 0 40 EDAB Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)NC[C@H]1CCCO1 65567686 VHTQQVRBDNZZFR-LLVKDONJSA-N 346.836 1.685 0 40 EDAB COc1ccc(C(=O)N[C@@H]2C(=O)NN[C@@H]2c2ccc(C)cc2)cc1 6480095 LJDHNDHATUFCQJ-CVEARBPZSA-N 325.368 1.478 0 40 EDAB O=C1CN(C(=O)COc2ccc(Oc3ccccc3)cc2)CCN1 14371517 UAAGGPFCEIAXOT-UHFFFAOYSA-N 326.352 1.816 0 40 EDAB Cc1nnc(COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1 5535908 VDXYPSOHQIULKV-UHFFFAOYSA-N 330.749 1.792 0 40 EDAB O=C(CCC(=O)NCc1ccccn1)NCc1ccc2c(c1)OCO2 6616605 YCGLNKSWSKDJDP-UHFFFAOYSA-N 341.367 1.523 0 40 EDAB Cn1nccc1C(=O)OCC(=O)Nc1ccc(Br)cn1 4735005 BTFVKCKBFRSRFQ-UHFFFAOYSA-N 339.149 1.373 0 40 EDAB O=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1cnccn1 4985283 OPDHYKDPLFJTSJ-UHFFFAOYSA-N 339.182 1.943 0 40 EDAB CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc2c(c1)no[n+]2[O-] 67850489 PCDUIQYKCPBDKR-UHFFFAOYSA-N 329.360 1.754 0 40 EDAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NC[C@@H]1CCC[C@@H]1O 80979362 QPAONIOELCXDFJ-FZMZJTMJSA-N 347.440 1.726 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C)nc3c2)n(C)c1 9390185 LBRZEKCGPLDTGN-UHFFFAOYSA-N 348.384 1.635 0 40 EDAB CCc1ccc(N2C[C@H](C(=O)N[C@H]3CCSC3=O)CC2=O)cc1 9426626 WELPTIJBPBTBAF-OCCSQVGLSA-N 332.425 1.750 0 40 EDAB CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCCNS(C)(=O)=O)cc1 96419241 OJMHVCRHTINGBE-HOTGVXAUSA-N 338.473 1.969 0 40 EDAB Cc1[nH]ncc1C(=O)N1CCCN(Cc2nccn2C(C)C)CC1 71863934 WJNMILWWAFTHEA-UHFFFAOYSA-N 330.436 1.844 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 71820922 WVSPCRXOGVDJEB-GOSISDBHSA-N 341.411 1.939 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCOC1)N1CCN(c2ccc(F)cc2)CC1 71897932 QNCSTPNPJXTVKI-CABCVRRESA-N 335.423 1.489 0 40 EDAB O=C(NCc1nccn1CCc1ccccc1)N[C@@H]1CCCNC1=O 83717415 WYQXVEKNLXOGJZ-OAHLLOKOSA-N 341.415 1.204 0 40 EDAB CCN1CCN(C[C@H](C)CNC(=O)c2cccc3[nH]ncc23)CC1 71904008 BQBVJCVCSZCUGX-CQSZACIVSA-N 329.448 1.566 0 40 EDAB COc1ccc(OC)c(NC(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 71921978 POWWKKFJPDLNDS-SNVBAGLBSA-N 328.390 1.403 0 40 EDAB Cn1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)n1 79484779 IVUQRPCBMYNUDL-UHFFFAOYSA-N 339.355 1.094 0 40 EDAB Cc1cc(C[S@](=O)CC(=O)N2CCC(c3ccccc3)=N2)no1 84117178 CFRFMQFXARIMHV-HSZRJFAPSA-N 331.397 1.868 0 40 EDAB COc1ccccc1C(=O)NCc1c(C)nc2c(c1C)c(=O)[nH]n2C 72285345 ZYBWNDOVRWBXBK-UHFFFAOYSA-N 340.383 1.817 0 40 EDAB CCOC(=O)N1CCC[C@@H](C(=O)NC[C@@H](CO)Cc2ccccc2)C1 72290269 YBHGXUZDEVCPCZ-DLBZAZTESA-N 348.443 1.822 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)NCc1cc(F)cc(Br)c1 72270144 DFDVNJJIXMHGII-MRVPVSSYSA-N 344.184 1.618 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CN1CCc3sccc3C1)C2 72279190 AUNAENDYCJMSOP-CQSZACIVSA-N 330.457 1.742 0 40 EDAB O=C(CN1Cc2ccccc2C1=O)N1CCC[C@@H](n2cncn2)C1 72268092 MUXVMSJPWOWSON-CQSZACIVSA-N 325.372 1.098 0 40 EDAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCc2ncnc(OC)c2C1 97202258 CBOCCHFNWYUWBP-CYBMUJFWSA-N 331.376 1.557 0 40 EDAB C[S@](=O)CCNC(=O)[C@H]1COc2ccc(Br)cc21 95442836 SSOQZZWFKDJROA-XTZNXHDOSA-N 332.219 1.420 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]1c1ccccc1F 73423601 RPMIAVKPTJFYPT-GXTWGEPZSA-N 328.409 1.469 0 40 EDAB Cc1cc(F)c2[nH]c(=O)cc(C(=O)NCC[C@H](C)[S@@](C)=O)c2c1 95995281 GEJHLRJDUKKLRY-VCGICTTQSA-N 338.404 1.863 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-c2ccco2)[nH]c1=O 75125460 SMYMKINYWGRQFU-MNOVXSKESA-N 329.356 1.361 0 40 EDAB Cc1ccc(C)n1-c1c(C(=O)N2CC[C@@H]([C@@H](F)C(=O)O)C2)cnn1C 1548600169 VHSRXHLXPCTVGU-TZMCWYRMSA-N 348.378 1.712 0 40 EDAB Cc1cccn2cc(CC(=O)N3CCNCCC34CCOCC4)nc12 1551457890 ARFKEPYWQGMFQT-UHFFFAOYSA-N 342.443 1.556 0 40 EDAB C[C@@H]1c2nc(C(=O)N3CC=CC3)cn2CCN1Cc1cnn(C)c1 306137137 QMHIZDAHKWSAIC-CYBMUJFWSA-N 326.404 1.205 0 40 EDAB Cn1nc(C2CC2)nc1Cn1cnc2c(nnn2-c2ccccc2)c1=O 519818792 AZDOBDYGZXZDBZ-UHFFFAOYSA-N 348.370 1.031 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1C 74935848 ONPFLGBVBYQMPK-ZDUSSCGKSA-N 331.459 1.419 0 40 EDAB CCOC[C@@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(F)c1 218567702 WNOZISMGSKYKKF-OBJOEFQTSA-N 331.434 1.645 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)C2(CN)CN)cc1 218047001 PDCYAMKYUIFTQG-IAGOWNOFSA-N 330.453 1.839 0 40 EDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cnn(C)c1)CC(O)=N2 71283655 QXYCZOLZWRXKED-VXGBXAGGSA-N 349.416 1.408 0 40 EDAB O=C1C[C@H](C(=O)Nc2nccs2)N2C(=O)c3ccccc3[C@H]2N1 1565525012 WIVMNAXVWZFJRX-PWSUYJOCSA-N 328.353 1.125 0 40 EDAB CCc1nc(CN2CCN(C(=O)Cc3csc(CC)n3)CC2)no1 78912433 XIJVERRVCYFOBU-UHFFFAOYSA-N 349.460 1.538 0 40 EDAB CN(C)c1ncc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3N)CC2)cn1 561008536 NMXFYVMDFYDLLK-LSDHHAIUSA-N 348.451 1.293 0 40 EDAB O=C(Cn1c(=O)n(Cc2ccco2)c2ncccc21)N1CCCCC1 72346852 GHMUYPCPAIKEGO-UHFFFAOYSA-N 340.383 1.852 0 40 EDAB CC(C)(C)OC(=O)NCCn1c(=O)n(CC(=O)O)c2ccccc21 72233763 CFSZKRHMEUYEEH-UHFFFAOYSA-N 335.360 1.412 0 40 EDAB C[C@@H](CNC(=O)c1ccc(OC(F)F)cc1)CN1CCN(C)CC1 79065105 KADOXACETMLRJK-ZDUSSCGKSA-N 341.402 1.901 0 40 EDAB CN1CCN(CCNC(=O)c2cnn(-c3ccccc3Cl)c2)CC1 49993057 FDBREGGJNDQVGU-UHFFFAOYSA-N 347.850 1.503 0 40 EDAB O=C(O)c1ccccc1S(=O)(=O)N1CCC[C@@H](n2ccnn2)C1 566913338 SESAKRRNMUJMIM-LLVKDONJSA-N 336.373 1.002 0 40 EDAB O=C(O)[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2(CF)CCC2)C1=O 570213045 ULBKLGKYPBLXJH-UONOGXRCSA-N 348.374 1.669 0 40 EDAB CCNC(=O)c1nsc(C(=O)NCc2ccc(F)cc2F)c1N 49006218 NFPRESWLQBHSEF-UHFFFAOYSA-N 340.355 1.683 0 40 EDAB CCN(CC)Cc1nc(C2(O)CCN(C(=O)COC)CC2)cs1 225464434 PRZFLGBMJJAZLR-UHFFFAOYSA-N 341.477 1.441 0 40 EDAB biogenic,in-vitro O=C(Cn1ccc2ccccc21)NCc1nc(-c2cc[nH]c(=O)c2)no1 225800549 DZIMJTVLNHUATO-UHFFFAOYSA-N 349.350 1.696 0 40 EDAB CC(C)(C)C(=O)N1CCCN(CC(=O)NCc2cccnc2)CC1 96414883 QGRKMMFRZOIEPW-UHFFFAOYSA-N 332.448 1.278 0 40 EDAB CCOC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cncn2C1 96207242 NLJZXUCLUYLSQZ-CYBMUJFWSA-N 343.383 1.921 0 40 EDAB Cc1nc(CN2CCC3(CC2)COCCN3S(C)(=O)=O)cs1 96226212 GEKDHAAMHIZLBY-UHFFFAOYSA-N 345.490 1.078 0 40 EDAB CN(C)c1ncc2c(n1)[C@]1(CCN(Cc3cccnc3)C1)COC2 96243987 BXNWXUQAPKCJLB-SFHVURJKSA-N 325.416 1.612 0 40 EDAB Cc1ccnc(OC[C@]23COC[C@H]2CN(C(=O)c2ccco2)C3)n1 96109126 VJDWWPOWRUINCR-DYVFJYSZSA-N 329.356 1.546 0 40 EDAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1ccncc1)C2 96039775 NMKAMUPDZSGQJE-PKOBYXMFSA-N 347.459 1.558 0 40 EDAB CN1CCN(Cc2cn3c(n2)CN(Cc2cccc(F)c2)CC3)CC1 96197317 BFFMWWGTXSFCCW-UHFFFAOYSA-N 343.450 1.785 0 40 EDAB CCN(C(=O)c1ccc2nnc([C@@H]3CCN(C(C)=O)C3)n2c1)C(C)C 96267706 VZKRLVSCXSFLQF-CQSZACIVSA-N 343.431 1.936 0 40 EDAB CC(C)C[C@@H](NC(=O)COc1ccccc1)C(=O)NCCN(C)C 95883195 MOXOISAECHAMOK-MRXNPFEDSA-N 335.448 1.274 0 40 EDAB O=C(Nc1ccccc1Cl)N1CC[C@@H]2CNS(=O)(=O)[C@@H]2CC1 96263657 AJUWAGIFPNSKNN-ZWNOBZJWSA-N 343.836 1.886 0 40 EDAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccco2)C1 96108457 XPIZNIPUTJVOJO-DYVFJYSZSA-N 347.440 1.923 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)C1CCC1)C2 96238204 IQAQSPWFZIHBCY-KRWDZBQOSA-N 333.457 1.798 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)CCn2cnnn2)c(OC)c1 583652502 OETLNWIHPHNBCU-CQSZACIVSA-N 331.376 1.444 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2C(=O)[C@@H]2CCOC2)N1Cc1ccncc1 96186405 ILWNRFJMEAECDF-PMPSAXMXSA-N 329.400 1.210 0 40 EDAB O=C(NCc1ccco1)C1=NO[C@@]2(CCN(Cc3ccccn3)C2)C1 96225848 IYKMTMUMSWFLKZ-SFHVURJKSA-N 340.383 1.712 0 40 EDAB O=C(C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@@H]12)N1CCOCC1 96207464 MRCWKFAXYXSZPS-KURKYZTESA-N 345.443 1.167 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2ccnn21 247956440 OJQRGXOBCHLWGM-OAHLLOKOSA-N 349.394 1.765 0 40 EDAB COCc1c(C(=O)N2CCO[C@@H](c3nc(C)cc(O)n3)C2)noc1C 257265493 LYWJVTUVZKMOAU-GFCCVEGCSA-N 348.359 1.147 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCCN(Cc2cccs2)CC1 41363703 KZVIHIVNCHPJRQ-CYBMUJFWSA-N 342.486 1.217 0 40 EDAB O=C(c1ccc2[nH]cnc2c1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257310594 UFUWQVWUJPTSAD-HOTGVXAUSA-N 325.372 1.598 0 40 EDAB Cc1cc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)nc(C)n1 257285007 PFFWCWYOMPRDIU-INIZCTEOSA-N 333.413 1.856 0 40 EDAB COC1(OC)CC(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)C1 585088026 HJWPVYOZHTZARS-UHFFFAOYSA-N 334.351 1.596 0 40 EDAB C[C@H](O)C(=O)NCCCCN1CCCN(C(=O)OC(C)(C)C)CC1 585087629 WZTJTTVKVYTHDH-AWEZNQCLSA-N 343.468 1.206 0 40 EDAB CCCCS(=O)(=O)N1CC[C@H](CNc2nc(C)cnc2C)C1 585080347 TWTVPUWXEGZGKK-CQSZACIVSA-N 326.466 1.957 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)CCc2cn(C)nc2C)CCO1 257253009 JXFCYQGDCMCLDU-CQSZACIVSA-N 344.419 1.093 0 40 EDAB Cc1ccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc1Cl 585119416 HBQKBXAEFONEMC-GOSISDBHSA-N 325.843 1.880 0 40 EDAB CCOC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)CC 252515420 JRWUAKGYPKIFDE-BZUAXINKSA-N 327.446 1.577 0 40 EDAB CN(CC(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1)C1CCCC1 257317988 VMAQJCFTCZRPCB-IAGOWNOFSA-N 336.407 1.651 0 40 EDAB CCc1nccn1CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(C)=O)C1 257279497 OGXUHWFAWHWIRU-JKSUJKDBSA-N 332.448 1.695 0 40 EDAB Cc1ccc(S(=O)(=O)Oc2ccc(N)c(S(=O)(=O)O)c2)cc1 255189371 PJGHVECEDFFVAL-UHFFFAOYSA-N 343.382 1.592 0 40 EDAB Cc1cc2nccc(C3CCN(C(=O)[C@@H]4CC(=O)N(C)C4)CC3)n2n1 257225847 FIDJPNJDXOONLU-CQSZACIVSA-N 341.415 1.222 0 40 EDAB CCCS(=O)(=O)N1CCN(C)[C@H](c2cccc(C(=O)NC)c2)C1 257306138 STBSLDJAXSETEE-HNNXBMFYSA-N 339.461 1.075 0 40 EDAB CCn1nccc1-c1cc([C@@H]2CCCN(S(C)(=O)=O)C2)nc(C)n1 257216993 CXAQBDQSLRMZFB-CYBMUJFWSA-N 349.460 1.807 0 40 EDAB COc1ccccc1[C@@H]1CN(S(=O)(=O)c2cn[nH]c2)CCN1C 257330698 XPNQEYOFKLCGPW-AWEZNQCLSA-N 336.417 1.096 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)nc(C)n1 257320669 VXWPYNBSZZOSCM-INIZCTEOSA-N 342.399 1.314 0 40 EDAB O=C(Nc1cnc(N2CCOCC2)c(Br)c1)C(F)F 282136181 ZDPZETGEBQMWEH-UHFFFAOYSA-N 336.136 1.884 0 40 EDAB CN(C)CCOc1cc(NC(=O)c2ccc3c(n2)OCCO3)ccn1 606444506 CGAOHUXCUXATIC-UHFFFAOYSA-N 344.371 1.441 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCC(Oc3cnccn3)CC2)cc1 90677885 ACOTUFQBCCJZJK-UHFFFAOYSA-N 341.367 1.947 0 40 EDAB C[C@@]1(C(=O)Nc2ccc(=O)n(Cc3cccc(F)c3)c2)CCC(=O)N1 1615057438 CSHSSWPDOJSCLG-SFHVURJKSA-N 343.358 1.643 0 40 EDAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccccc1Cl 575420109 FVSCTVJOIBIKNU-QWHCGFSZSA-N 346.836 1.341 0 40 EDAB O=C1N(c2ncccn2)C[C@]12CCCN(Cc1cnc(Cl)cn1)C2 585099392 HVHBEPBNKIGTBF-MRXNPFEDSA-N 344.806 1.549 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@@]3(CCN(c4ccccc4)C3=O)C2)n1 585100968 NLPUPCDEOOMSEI-GOSISDBHSA-N 339.399 1.474 0 40 EDAB CCc1noc([C@@H](C)Sc2nnc(-c3ccco3)n2CC(N)=O)n1 57501572 SKKHTDWNFAHJDD-MRVPVSSYSA-N 348.388 1.822 0 40 EDAB Cc1noc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC45CCC5)C[C@]3(C)C2)n1 1092054240 PEFQQEZRDGFNRX-KEYYUXOJSA-N 330.432 1.849 0 40 EDAB CCCNC(=O)c1cccc(CNC(=O)c2cn3cccnc3n2)c1 53636582 MKMXXWLCGZNTHT-UHFFFAOYSA-N 337.383 1.799 0 40 EDAB CCOC(=O)CN(CC(C)C)C(=O)[C@@H](C)NC(=O)c1cccs1 58065658 MOOBBTYGOLQCDE-GFCCVEGCSA-N 340.445 1.914 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCc2cccs2)CC1 58134270 QJTZYVVRIJNZTD-CYBMUJFWSA-N 338.477 1.142 0 40 EDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1 69616438 OUDGSFRTHPRYMC-CVEARBPZSA-N 342.505 1.819 0 40 EDAB Cc1ccc(-c2nc(CC(=O)N3CCN(C[C@@H](C)O)CC3)cs2)o1 71871216 HXEBGFYWENGVIG-GFCCVEGCSA-N 349.456 1.779 0 40 EDAB COc1ccc(CCC(=O)N2CCN(c3nccs3)C(=O)C2)cc1 1565522981 WMCCORVNJIOSBR-UHFFFAOYSA-N 345.424 1.960 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCc1ccc(Cl)cc1 102301836 HNLWFPWDAWWCKW-GASCZTMLSA-N 346.814 1.950 0 40 EDAB CCOC(=O)C1=C(COC(=O)Cc2ccsc2)NC(=O)N[C@H]1C 5657900 MFTHHLCUVXMQPZ-VIFPVBQESA-N 338.385 1.352 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1)N1CCOCC1 19078410 VNSFDOHQQXRYGE-ZBFHGGJFSA-N 342.443 1.990 0 40 EDAB CCOc1cc2c(cc1CN1C[C@H]3CCCN3C[C@@H]1CCO)OCO2 19532424 ZURAUTZFCPAYPE-CVEARBPZSA-N 348.443 1.845 0 40 EDAB CN(C)S(=O)(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206791919 DFXZLBUZGZMTLT-JTQLQIEISA-N 338.355 1.075 0 40 EDAB Cc1cc(NC(=O)C2CCCC2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 7422416 BWYQVOUJSHOKBH-UHFFFAOYSA-N 327.388 1.881 0 40 EDAB CCOCC(=O)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575607264 YRYLLLLFQCYSJS-NSHDSACASA-N 344.209 1.645 0 40 EDAB FC(F)(F)c1ccc(N2CCN(CCn3nccn3)CC2)nc1 1888854103 SVOJBGYUJTXUSH-UHFFFAOYSA-N 326.326 1.514 0 40 EDAB Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)s1 24639561 WEVIKZSIAOOBJT-SECBINFHSA-N 346.368 1.567 0 40 EDAB C[C@H](c1cccs1)N(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 27555315 TXPMLYNQNQSZLU-SECBINFHSA-N 348.428 1.391 0 40 EDAB COc1ncc(-c2nc(CS(=O)(=O)c3ccccc3)no2)c(C)n1 245070497 QMIDLXBEIUZCLD-UHFFFAOYSA-N 346.368 1.818 0 40 EDAB O=C(c1cscn1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037839900 DXYMZEISBWFXKF-QGZVFWFLSA-N 343.408 1.791 0 40 EDAB CC/C(NCCCN(C)C)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 20266081 QFZLZNCZNHHXTN-CCEZHUSRSA-N 344.415 1.475 0 40 EDAB CCn1c(O)nc2c(N3CCN(Cc4cccnc4)CC3)ncnc21 2087043856 KNMQFYCRSSDQHZ-UHFFFAOYSA-N 339.403 1.269 0 40 EDAB COCc1ccc(C(=O)N2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)cc1 1565552106 KMGSXIBVVYHEGS-MSOLQXFVSA-N 330.428 1.768 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2nccs2)C(=O)C1 1565523256 KHQUUZOXJQUXHO-UHFFFAOYSA-N 345.380 1.290 0 40 EDAB O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1cccc(-n2cnnn2)c1 116941 RHSMCWQKNLRBTE-QGZVFWFLSA-N 335.323 1.075 0 40 EDAB biogenic CCCCCNS(=O)(=O)CCNC(=O)c1cccc(OC)c1 5302010 RHKZGZMGVWIPSU-UHFFFAOYSA-N 328.434 1.535 0 40 EDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Cc1ccsc1)C2 225668002 SXBMNEHAVVMRQZ-STQMWFEESA-N 328.459 1.362 0 40 EDAB COCC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cn2)CC1 44094992 OWRFVXLRRPSJRR-UHFFFAOYSA-N 345.403 1.550 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@@H](c1ccco1)n1cccn1 575613979 NGJAKUMKMMAYRY-ZDUSSCGKSA-N 344.396 1.560 0 40 EDAB COc1ccccc1OCC(=O)NC1CCN(c2cnsn2)CC1 575616568 QKDUWYGEKXWBKF-UHFFFAOYSA-N 348.428 1.711 0 40 EDAB CCOC(=O)c1csc(NC(=O)Cn2nc(C3CC3)ccc2=O)n1 575621465 XDGUUVXVDRZBGG-UHFFFAOYSA-N 348.384 1.393 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccccc1OCC 17316100 QEHCOKOQHFKSEW-UHFFFAOYSA-N 339.373 1.786 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H]2c3cc(C(=O)O)ccc3C(=O)N[C@H]2C1 97758995 XVULRVLHAAESPW-OLZOCXBDSA-N 332.356 1.831 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(C(=O)O)cc1 100634107 RFPKWAJKRSWJOD-LWWSYDQCSA-N 340.335 1.130 0 40 EDAB Cc1ccn2c(=O)cc(Cn3nnc(-c4cccc(F)c4)n3)nc2c1 31734104 GZTQTAPKBYJSIJ-UHFFFAOYSA-N 336.330 1.844 0 40 EDAB CCc1ccc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cc1 31710586 RNNZXDWHXIXUSF-UHFFFAOYSA-N 348.424 1.544 0 40 EDAB Cc1nc(C)c(CC(=O)Nc2ccc(N3CCCCC3)nc2)c(=O)[nH]1 40520798 IICJXZRMKMSREF-UHFFFAOYSA-N 341.415 1.953 0 40 EDAB O=C(Cc1cccs1)N1CCN(c2ccc3nncn3n2)CC1 16848007 FSPNHKQDFFJEFA-UHFFFAOYSA-N 328.401 1.077 0 40 EDAB CC(C)N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1=O 45838755 ZTUNAKJCLKUVML-QMMMGPOBSA-N 331.294 1.589 0 40 EDAB Cc1csc(=O)n1CCC(=O)Nc1ccc(N2CCOCC2)cn1 36803783 SVUXCTDHCDWDIK-UHFFFAOYSA-N 348.428 1.479 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN([C@@H](C)C(=O)Nc3ncccn3)CCO2)n1 69349930 OZWQAHJJSWBZOY-GJZGRUSLSA-N 344.419 1.018 0 40 EDAB Cc1cc(NC(=O)CN2CCN(Cc3cccs3)CC2)n(C)n1 29598500 HXTYLNFQSSWPFF-UHFFFAOYSA-N 333.461 1.546 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)c1nc(CC)n(-c2ccccc2Cl)n1 69390719 KAAYENWUPJIGTH-JTQLQIEISA-N 349.822 1.738 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1 8380517 QBEAQTPOKBFCBV-SWLSCSKDSA-N 338.429 1.184 0 40 EDAB CC(C)N1C[C@@H](C(=O)N[C@@H](C)c2nnc3n2CCCCC3)CC1=O 46353775 YBNWKWBKEHVPEE-STQMWFEESA-N 333.436 1.439 0 40 EDAB C[C@H](Sc1nnnn1C)C(=O)Nc1ccc(N2CCOCC2)cc1 2661097 LAHJRWAWMKJFGK-NSHDSACASA-N 348.432 1.166 0 40 EDAB O=C(CN1CCN(CCCOc2ccc(F)cc2)CC1)NC1CC1 20952624 AXWCCYLFOWRYBP-UHFFFAOYSA-N 335.423 1.491 0 40 EDAB CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cn1 21143639 CQXQXWHWIFYECD-LBPRGKRZSA-N 328.372 1.728 0 40 EDAB C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c1ccccc1 4321029 BQCGPMZEBOHHTF-DGCLKSJQSA-N 335.404 1.633 0 40 EDAB Cc1cccc(C(=O)NCCC(=O)NCCCN2CCCC2=O)c1 21223939 ZTVBWSQRKHOJLT-UHFFFAOYSA-N 331.416 1.244 0 40 EDAB CC(=O)NCCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 2647653 HPICHTZSGNOUKG-UHFFFAOYSA-N 341.414 1.165 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3cccc(F)c3)C2)C1 108529899 DFAGXPRDBSVGKS-UHFFFAOYSA-N 326.393 1.370 0 40 EDAB COCCOc1ccc([C@H](C)N2C(=O)[C@H](C)NC2=S)cc1OC 55179224 URSGCSDCEXPJEK-QWRGUYRKSA-N 338.429 1.887 0 40 EDAB COC(=O)C1(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCCCC1 25173323 ZQPLIIBVLMLLIW-ZDUSSCGKSA-N 336.432 1.770 0 40 EDAB O=C1c2ccccc2C(=O)N1CN1C(=O)c2ccccc2S1(=O)=O 1588724 MUBJXZVRYCWZJZ-UHFFFAOYSA-N 342.332 1.085 0 40 EDAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)NC(=O)NC1CC1 12516048 BPURGPWKSMPLHX-DTWKUNHWSA-N 332.360 1.195 0 40 EDAB Cc1cc(N2CCC(N(C)C(=O)CN(C)C(C)C)CC2)nc(C)n1 69484491 YRWKACQBNHRJDV-UHFFFAOYSA-N 333.480 1.861 0 40 EDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc3c2ccn3C)C1=O 69488247 QJUNXDVTTCWUFG-QGZVFWFLSA-N 328.372 1.837 0 40 EDAB O=S(=O)(Cc1ccc(I)cc1)c1ncc[nH]1 91577472 JHBCSLWSNNDUEN-UHFFFAOYSA-N 348.165 1.988 0 40 EDAB O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)COc1ccc2c(c1)OCO2 58159089 CTAHEOYJLQKFDT-GFCCVEGCSA-N 347.367 1.474 0 40 EDAB CN(C(=O)CS(=O)(=O)c1nnc2ccccn12)C1CCCCC1 44948114 WHBXLNDDFZDRGA-UHFFFAOYSA-N 336.417 1.294 0 40 EDAB NC(=O)CC1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 44955627 ZFJCEXDANWUSRS-UHFFFAOYSA-N 345.321 1.750 0 40 EDAB Cc1cc(C)n2ncc(C(=O)NCc3ccc(-n4cncn4)nc3)c2n1 44944044 HXLLFYFIKLCWOX-UHFFFAOYSA-N 348.370 1.252 0 40 EDAB Cc1cnc(C(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)cn1 58402251 WSANQWCHAAHWAW-UHFFFAOYSA-N 333.355 1.930 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)Nc1cccnc1N1CCOCC1 58414705 PYBADAWPWMILMG-UHFFFAOYSA-N 336.392 1.381 0 40 EDAB CC(C)CCO[C@H](C)C(=O)NC1CCN(CC(=O)NC(C)C)CC1 58424671 JEFGWLUYZQBCKV-OAHLLOKOSA-N 341.496 1.543 0 40 EDAB CCc1sc(C(=O)OCC(=O)NC(=O)NCCOC)cc1C 10668091 FQCJDXFQFGTAKF-UHFFFAOYSA-N 328.390 1.248 0 40 EDAB CN(Cc1cccc(C(N)=O)c1)C(=O)CN1CCc2sccc2C1 58825291 KQKXGTJOISBUGB-UHFFFAOYSA-N 343.452 1.864 0 40 EDAB CCC(CC)NC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 8429762 NJFLLYBHGUDFRW-UHFFFAOYSA-N 349.431 1.973 0 40 EDAB O=C(CN1CCCC1=O)Nc1ccc(I)cc1 3342754 XRJIALDIDVTNBS-UHFFFAOYSA-N 344.152 1.852 0 40 EDAB CCCN(CC(=O)OCC)S(=O)(=O)c1ccc(NC(C)=O)cc1 48276519 MUUGXRAVQWIHAA-UHFFFAOYSA-N 342.417 1.609 0 40 EDAB COC(=O)CCCNC(=O)CN(C)Cc1c(F)cccc1Cl 48374007 YCBYZMQUTUGXRL-UHFFFAOYSA-N 330.787 1.980 0 40 EDAB NC(=O)c1ccsc1NC(=O)CSc1nnc2ccccn12 3505455 HZQLAUWDSRCRKK-UHFFFAOYSA-N 333.398 1.621 0 40 EDAB COc1ccc(CC2CCN(C(=O)Cn3cccnc3=O)CC2)cc1 69528529 IFXDBZSWIUMTKC-UHFFFAOYSA-N 341.411 1.733 0 40 EDAB CC(=O)c1ccc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 13014992 FZJMXCBOWYEJEK-UHFFFAOYSA-N 339.417 1.388 0 40 EDAB O=C([C@@H]1CSCN1C(=O)C1CCC1)N1CCN(CC(F)F)CC1 69520810 RYWPXAPJYDJBTL-LBPRGKRZSA-N 347.431 1.097 0 40 EDAB CCC[C@H](NC(=O)Cc1cc(=O)oc2c(C)c(O)ccc12)C(=O)O 4063848 DNUSTSREINMNEP-LBPRGKRZSA-N 333.340 1.719 0 40 EDAB biogenic CN(CC(=O)Nc1ccccc1F)C1=NS(=O)(=O)c2ccccc21 17336262 ULHDZJRWNGELHP-UHFFFAOYSA-N 347.371 1.845 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cccn1)NCCOc1ccccc1 69626694 DJDUAIVUPQWHIC-INIZCTEOSA-N 328.416 1.543 0 40 EDAB Cn1c(CN2CCN(C[C@H](O)c3ccccc3)CC2)nnc1C1CC1 69625545 CUGAUVJVLKTOSD-KRWDZBQOSA-N 341.459 1.544 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NC1CC1 13608811 MPWZWMOLWBQLFC-BZNIZROVSA-N 344.415 1.848 0 40 EDAB CC(C)(C)C(=O)COC(=O)CNC(=O)N1CCc2ccccc2C1 69973705 NHLMUQPEXLLXSU-UHFFFAOYSA-N 332.400 1.913 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2CCN2C(=O)NC(C)(C)C2=O)n1 69924180 JJZKKCJTQCAMMB-CQSZACIVSA-N 348.451 1.080 0 40 EDAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN(CC(C)(C)O)CC1 69951882 HUARQUJJYNKPAN-HOTGVXAUSA-N 332.444 1.714 0 40 EDAB CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 49910058 FZSRIEFQUJGMBI-UHFFFAOYSA-N 344.458 1.317 0 40 EDAB Cn1nc(-c2cccs2)cc1C(=O)N1[C@H]2CC[C@@H]1CC(=O)NC2 65397781 OUVLXAZPTCGKEL-MNOVXSKESA-N 330.413 1.642 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@H](C)C(=O)N1CCCCC1 65491695 FXLCIMAGXDGFBW-OAHLLOKOSA-N 349.479 1.056 0 40 EDAB CCOc1ccc([C@H](C)NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 65439983 TWXQZQLAIFBCAQ-STQMWFEESA-N 340.445 1.880 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)NCCCOC[C@H]3CCCO3)cc12 65401524 IRTCNIYIPFTKDR-CQSZACIVSA-N 347.419 1.984 0 40 EDAB Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)NC(C)C 65592708 TYVZCXXFZLBYAN-UHFFFAOYSA-N 349.456 1.647 0 40 EDAB CNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 65594586 PCPCGEYGUBIILX-HZPDHXFCSA-N 349.862 1.770 0 40 EDAB CN1CCN(CCCCNS(=O)(=O)c2ccccc2Cl)CC1 65576570 AHUUTKHIYOBWST-UHFFFAOYSA-N 345.896 1.646 0 40 EDAB CC(=O)N(C(=O)CCC(=O)O)c1c(C)n(C)n(-c2ccccc2)c1=O 4550570 FISYUTSNHJPUHT-UHFFFAOYSA-N 345.355 1.229 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1)N1CCC(NS(C)(=O)=O)CC1 8853075 AHAHXZQSOBSABL-LBPRGKRZSA-N 325.434 1.027 0 40 EDAB CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@@H]1C2 306135890 PDWBXKYTNXYWDK-UONOGXRCSA-N 343.406 1.471 0 40 EDAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN1CCN(CCO)CC1)C2 22805047 JQKJIGNTIRURCN-MTNOOBJLSA-N 340.508 1.189 0 40 EDAB COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 66485864 YFXRLALYEURYKD-MRXNPFEDSA-N 332.400 1.549 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3ccon3)CC2)C1 66422256 BVYVKCDZBCAIDD-KGLIPLIRSA-N 334.420 1.127 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCCc1cccc(F)c1 8993868 NMUNZAFLRLXNHN-UHFFFAOYSA-N 341.342 1.188 0 40 EDAB O=C(CNC(=O)C1CCCCC1)NCCc1nnc2ccccn12 15590198 KZKRRZCMCPVMRV-UHFFFAOYSA-N 329.404 1.085 0 40 EDAB COC(=O)[C@H](NC(=O)CNC(=O)NCc1ccco1)c1ccccc1 71185599 NAWDXASYKOSQJX-OAHLLOKOSA-N 345.355 1.109 0 40 EDAB COc1cc(C(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)ccc1O 67841076 ZLAHNCPTXVZAFA-MRXNPFEDSA-N 344.342 1.853 0 40 EDAB O=C(O)c1nccnc1C(=O)Nc1cc(-n2cnnc2)ccc1Cl 71285664 NXDHMLNKEMXCRT-UHFFFAOYSA-N 344.718 1.661 0 40 EDAB CNC(=O)Cc1csc(NC(=O)Cc2ccccc2C(=O)O)n1 71286318 HCTCVOVPEZTWEA-UHFFFAOYSA-N 333.369 1.311 0 40 EDAB Cc1cccc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1C 80923535 GKXAPNVFPUTDNY-SFHVURJKSA-N 329.400 1.754 0 40 EDAB COc1ncccc1C(=O)N1CCOC[C@@]2(CC[C@H](CN(C)C)O2)C1 306141015 VIZPACBTCWMLGO-RDTXWAMCSA-N 349.431 1.042 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc2c(c1)CCC2 7866167 VJKWPPHEQCMCPC-QMMMGPOBSA-N 330.417 1.644 0 40 EDAB O=C1NC(=S)N/C1=C\c1cc2c(cc1Br)OCO2 16383118 GGSHHULRLFPRPU-XFSBKJJWSA-N 327.159 1.523 0 40 EDAB Cn1cc([C@H]2CCCN2CCNS(=O)(=O)c2ccccc2)cn1 71797180 SQPAKVQQDPKEFD-MRXNPFEDSA-N 334.445 1.536 0 40 EDAB O=C1NC[C@@H](C(=O)NCc2cccc(COc3ccccc3)c2)N1 89845801 QTVUZIIJEOQDIP-INIZCTEOSA-N 325.368 1.563 0 40 EDAB O=C(CNC(=O)Cn1cc(-c2ccccc2)nn1)NCc1ccccc1 96474662 FGDMKVUJXJIFEW-UHFFFAOYSA-N 349.394 1.378 0 40 EDAB CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCCNS(C)(=O)=O)cc1 96419243 OJMHVCRHTINGBE-JKSUJKDBSA-N 338.473 1.969 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 71865837 QNIKRECETPEIHS-ZBFHGGJFSA-N 330.432 1.584 0 40 EDAB Cn1ncc2c(SCCNC(=O)OCC(F)(F)F)ncnc21 71804193 KSLBFNVWRDKDNO-UHFFFAOYSA-N 335.311 1.744 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2CCCn2cnc3c(N)ncnc32)c1 71875993 AWTHJWOPORSQSO-AWEZNQCLSA-N 340.435 1.468 0 40 EDAB Cc1cc(CNC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)no1 71827093 LKRLCXALVZVDCX-UHFFFAOYSA-N 339.355 1.296 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3cc(F)ccc3OC)CC2)no1 71893138 LAALFGFPERPWQA-UHFFFAOYSA-N 348.378 1.738 0 40 EDAB CC[C@@H]1CN(CC(=O)NCCC2=CCCCC2)CCN1C[C@@H](C)O 72279691 HENMWVSEJAZYQD-SJLPKXTDSA-N 337.508 1.770 0 40 EDAB C[C@]1(C(=O)N2CCC[C@@H](n3cncn3)C2)Cc2ccccc2C(=O)O1 72234803 PWSPOQPLUBODLC-RDTXWAMCSA-N 340.383 1.613 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(N(C)C)nc1 72275921 OHARCDCGOAVTSU-UHFFFAOYSA-N 341.414 1.797 0 40 EDAB CCOc1ccc(S(=O)(=O)NC(=O)CNC(=O)[C@@H](C)CC)cc1 72275845 DXDUIHXNBCVFAC-NSHDSACASA-N 342.417 1.053 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 72281007 JEUHUCREEBCVSK-GWCFXTLKSA-N 342.465 1.028 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)CNc2cc(F)c(F)cc2F)C1 97080260 GNHUCZBONJMUAY-SNVBAGLBSA-N 329.322 1.643 0 40 EDAB CC1(C)C[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)CCO1 97096495 WJYVVMIRYHURLG-OAHLLOKOSA-N 332.448 1.866 0 40 EDAB C[C@@H]1CO[C@@H](CO)CN1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F 97136136 VZFPHGWHUFCLRH-BNOWGMLFSA-N 346.349 1.951 0 40 EDAB O=C(CN1CCC[C@@H](c2noc(C3CC3)n2)C1)NC[C@@H]1CCCO1 72300386 LFPNZBHZHHZTRQ-KGLIPLIRSA-N 334.420 1.422 0 40 EDAB Cc1cccn2cc(CC(=O)N3C[C@@H](C)[C@@H](N4CCOCC4)C3)nc12 76051250 IQQAOFJIBCGKIX-WBVHZDCISA-N 342.443 1.364 0 40 EDAB C[C@@H](CO)NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 97205102 QYYDJAHRCLMMLA-ZDUSSCGKSA-N 348.424 1.622 0 40 EDAB CC(C)Cc1nnc([C@@H](C)N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)o1 84575241 FBUFXFXHFOMPIK-SJKOYZFVSA-N 349.435 1.734 0 40 EDAB OC[C@H]1CCCN1c1cc(N2CCC(n3cccn3)CC2)ncn1 84615216 BEYRXIMPEUNOPL-OAHLLOKOSA-N 328.420 1.476 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 77270827 PEOVLVBVHFTEGR-OAHLLOKOSA-N 341.415 1.769 0 40 EDAB CCS[C@H]1CC[C@H](NCc2cnc(N3CCN(C)CC3)nc2)C1 95416696 ZIUFRCGEGFNYNZ-HOTGVXAUSA-N 335.521 1.992 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC2CCN(C[C@H](C)O)CC2)s1 95433024 KNOTXXUQDMIODN-LBPRGKRZSA-N 346.518 1.770 0 40 EDAB Cc1cc(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)n[nH]1 95446796 BZWZVEIFIHYTJA-MRXNPFEDSA-N 326.400 1.568 0 40 EDAB CCN1CCC(n2nccc2NC(=O)[C@@H]2CN(CC)CCO2)CC1 73293311 VIFDBFBSWDWJHM-HNNXBMFYSA-N 335.452 1.199 0 40 EDAB CCN1CCO[C@@H](C(=O)N2CCN(c3cccc(C)n3)C[C@@H]2C)C1 73726964 RIDYYELNKSLKBR-JKSUJKDBSA-N 332.448 1.148 0 40 EDAB C[C@](CO)(NC(=O)NC[C@H]1CCS(=O)(=O)C1)C1CCCCC1 88482406 CRBANEHYTVIGCF-IUODEOHRSA-N 332.466 1.052 0 40 EDAB CN1CC[C@H](NC(=O)c2nccnc2N)[C@@H]1c1ccc(F)c(F)c1 95979721 OZXXLGFRSVSDKG-JSGCOSHPSA-N 333.342 1.512 0 40 EDAB CN1CCC(O)(CNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)CC1 89375172 JSXBDFQBSQMLRK-YLJYHZDGSA-N 328.456 1.854 0 40 EDAB O=C(NCc1nc[nH]n1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 75143280 AVCIEEWNRVWTLC-UHFFFAOYSA-N 336.277 1.939 0 40 EDAB Cc1ccc([C@@H](NC(=O)CNC[C@H]2CN(C)CCO2)C2CC2)cc1 75133319 DVQKKCAITAKVEK-PKOBYXMFSA-N 331.460 1.483 0 40 EDAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCN(C)C[C@H]2C)n1 89626498 JSJNODCMVOCXEW-CQSZACIVSA-N 328.416 1.965 0 40 EDAB COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 25902488 MILTURKHPYJRFX-OLZOCXBDSA-N 340.445 1.544 0 40 EDAB O=C(NC1CC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 68933669 XDUWVTYYOMFVNJ-QGZVFWFLSA-N 344.436 1.855 0 40 EDAB O=C(Nc1ncccn1)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 408739304 ZLEVQOVSFCDULR-KBPBESRZSA-N 342.355 1.187 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1F 39996284 MFWTXLWGPQPKNI-YMTOWFKASA-N 340.326 1.846 0 40 EDAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC(C)C)cc1 408588260 FGYABUUIZGOMCF-GFCCVEGCSA-N 328.434 1.665 0 40 EDAB C[C@H](CNC(=O)CCc1nc(-c2ccccn2)no1)Cn1cccn1 79085142 GYBVHAHZGAKYEQ-CYBMUJFWSA-N 340.387 1.713 0 40 EDAB O=C(CN1CCO[C@H]2CCC[C@@H]21)N1CCN(Cc2ccsc2)CC1 79354315 CBLYKZZHJXMRLP-IRXDYDNUSA-N 349.500 1.646 0 40 EDAB O=C(Nc1ccccn1)C1=C(c2ccccc2)S(=O)(=O)CCO1 32073323 GHDRUDUGIKSCMR-UHFFFAOYSA-N 330.365 1.834 0 40 EDAB CS(=O)(=O)N1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 72354334 DQLUETODJNFDHX-LBPRGKRZSA-N 333.417 1.754 0 40 EDAB O=C(c1nccc2ccccc12)N1CCn2c(nnc2[C@H]2CCCN2)C1 72373971 APXGQQXQUQPBSJ-OAHLLOKOSA-N 348.410 1.907 0 40 EDAB NC[C@@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218626557 VTFMVLIRCLWHFQ-HLLBOEOZSA-N 349.383 1.795 0 40 EDAB CC(C)(C)Nc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O 217592727 SSVBQCLQHBLWFU-UHFFFAOYSA-N 330.406 1.256 0 40 EDAB O=C([C@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cccc(F)c1)N1CCOCC1 79001323 MUDYBZRKZPQGMN-YESZJQIVSA-N 346.402 1.779 0 40 EDAB C[C@H]1C(=O)NCCCN1C(=O)NCC[C@@H](C)N(C)Cc1ccccc1 191436919 JUGCDQOYIYPBHH-CVEARBPZSA-N 346.475 1.817 0 40 EDAB C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CCCOC1 225790701 FCZXMEXTOADLQH-UONOGXRCSA-N 340.445 1.286 0 40 EDAB CCn1ncc2c(=O)n(Cc3cccc(C(=O)N(C)C)c3)cnc21 192490759 NFNVZJGGRBXTDY-UHFFFAOYSA-N 325.372 1.363 0 40 EDAB O=C(Nc1ccc2c(c1)OCCO2)c1nnn(-c2ccc(F)cc2)n1 75163568 ROXWUIYQEHVZII-UHFFFAOYSA-N 341.302 1.825 0 40 EDAB COCCN1CCN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)CC1 193094356 ZOPWQIPQSXTQFR-UHFFFAOYSA-N 343.431 1.288 0 40 EDAB CC1=CCC[C@@H](C)[C@H]1CN1CCN(CC(=O)N2CCOCC2)CC1 97104774 SVXBUARNBBITGY-MSOLQXFVSA-N 335.492 1.455 0 40 EDAB O=C(c1ccncc1C(F)(F)F)N1CC[C@@H]2OCC(O)=N[C@@H]2C1 330033040 VTJFPMMTVHGBBE-MNOVXSKESA-N 329.278 1.670 0 40 EDAB Cc1c(CCNC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)cnn1C 96485912 GPYSBLMYONVVMP-LLVKDONJSA-N 347.385 1.549 0 40 EDAB C/C(=C\C(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1cccc(F)c1 96408598 OIIJBFXFCLJFLI-BMGYJQCNSA-N 326.393 1.379 0 40 EDAB O=C(c1cn2cccnc2n1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 96404142 UWOMMDXTSJROIA-OLZOCXBDSA-N 332.429 1.856 0 40 EDAB O=C(CCNc1ncccn1)N1CCN(CCc2ccncc2)CC1 95474973 IKSWNUYBDUMUOK-UHFFFAOYSA-N 340.431 1.061 0 40 EDAB CCC[C@@]1(COC)CCCN1C(=O)c1ccnc(S(N)(=O)=O)c1 331320098 IWNNKOLRVVFZJR-HNNXBMFYSA-N 341.433 1.150 0 40 EDAB Cn1ccnc1CN1CC[C@]2(CCN(Cc3ccccn3)C2=O)C1 96159476 KLSLXLAAFRWMLS-SFHVURJKSA-N 325.416 1.440 0 40 EDAB Cc1noc(C)c1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C 582338210 IZWQFWDZOCVYPW-NHYWBVRUSA-N 331.376 1.491 0 40 EDAB CCc1nnc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)o1 96491207 PLQIGXKFGXLZTD-GHMZBOCLSA-N 338.433 1.952 0 40 EDAB CNC(=O)c1cc2c(nc1N(C)C)CCN(Cc1ccccn1)CC2 96260311 GRMSPBISPSCKES-UHFFFAOYSA-N 339.443 1.503 0 40 EDAB 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344.415 1.585 0 40 EDAB COc1ccc(Cl)cc1NC(=O)NCC(=O)N=S(C)(C)=O 585140980 NMTUNRMJELILSF-UHFFFAOYSA-N 333.797 1.724 0 40 EDAB COc1ccc(CN(C)C(=O)N[C@@H]2CCCCNC2=O)cc1OC 45671358 WNSWIMGKBNUTEY-CYBMUJFWSA-N 335.404 1.514 0 40 EDAB CC(=O)N[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)C1CCCC1 53462589 ORQRWBZNAHGJAG-GOSISDBHSA-N 346.427 1.811 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)Nc1ccc(F)cc1 58063456 IHAYYVMUFBGVQP-UHFFFAOYSA-N 329.335 1.847 0 40 EDAB O=S1(=O)CC[C@@H](N(Cc2ccnc(Cl)c2)C[C@@H]2CCCO2)C1 69778727 DDVLJMRMHIGJDQ-KGLIPLIRSA-N 344.864 1.903 0 40 EDAB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NC[C@@H]2CCCO2)C1 69977884 HGERCZHPQROXOT-KFWWJZLASA-N 325.453 1.892 0 40 EDAB CC(C)CC(=O)N[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1 65490118 CZEOPGMIQDJOJH-GOSISDBHSA-N 347.459 1.338 0 40 EDAB NC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1ccncc1 72356094 HAXNQOPWHPEARV-UHFFFAOYSA-N 347.378 1.610 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)C[S@](=O)c2ccc3ccccc3c2)C1 95414514 ASZGAQSHZVXDBH-OYLFLEFRSA-N 344.436 1.671 0 40 EDAB CN(CN1C(=O)[C@H]2C=C[C@H]1C2)[C@@H]1CCN(c2ccccc2F)C1=O 101278576 SUZDIGQGDMJQNR-HEHGZKQESA-N 329.375 1.607 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2cnc(C)s2)C1 84281290 NYWCQTVSIPLGFH-CYBMUJFWSA-N 335.433 1.766 0 40 EDAB CN(C)c1nccc(N2CCN(c3ccnc(C4CC4)n3)CC2)n1 301351712 KQKPOOHRHFKMHF-UHFFFAOYSA-N 325.420 1.537 0 40 EDAB N[C@@H]1C[C@@H]2C[C@H](C(=O)N3CCn4cnc(C(F)(F)F)c4C3)C[C@@H]21 1615549626 WLKMQDBDSZRQIT-XWLWVQCSSA-N 328.338 1.618 0 40 EDAB COc1cccc(NC(=O)N2CCC(O)(c3nccn3C)CC2)c1 12144590 SQLRBLLSWMLKQZ-UHFFFAOYSA-N 330.388 1.944 0 40 EDAB COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1OC 13646674 WFAJNLJMZGEGAF-CHWSQXEVSA-N 329.418 1.628 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(C(=O)NCCCOC(C)C)cc1 17408415 KDPLDUQCUUIROP-UHFFFAOYSA-N 342.461 1.918 0 40 EDAB CN1CCc2nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)[nH]c(=O)c2C1 19081280 PXNNRNMFDVPTSM-LBPRGKRZSA-N 332.448 1.510 0 40 EDAB CO[C@@H]1CCC[C@@H](C(=O)NCc2cc(=O)[nH]c(N3CCCC3)n2)C1 19592671 QKHWSAFYIKPOIE-TZMCWYRMSA-N 334.420 1.192 0 40 EDAB 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CNS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 583651043 DUJGLYMNCSGOQF-KGLIPLIRSA-N 326.418 1.631 0 40 EDAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)CCc1cncnc1)C2 1565542557 OBYRDJRNSNYQTF-WMZOPIPTSA-N 333.432 1.843 0 40 EDAB Cc1ncnc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)C3)c1C 1565544250 CDQZECOVQWYJHC-UHFFFAOYSA-N 342.443 1.958 0 40 EDAB COc1ccc(C(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 4940973 WKBMGQRZFHEVFE-UHFFFAOYSA-N 348.424 1.545 0 40 EDAB Nn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccn1 5242202 CCKKWQKOAFLEBM-UHFFFAOYSA-N 333.402 1.241 0 40 EDAB COC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@H]1c1ccc(OC)cc1 100503337 XPPKAXAIJDBJNX-AWEZNQCLSA-N 334.397 1.920 0 40 EDAB CC[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)C1 30364725 OKWONWAJYPRGFJ-LLVKDONJSA-N 326.418 1.605 0 40 EDAB O=S(=O)(N1CC=C(c2c[nH]c3ccccc23)CC1)N1CCOCC1 40488259 PPWASCPJCHDNQI-UHFFFAOYSA-N 347.440 1.834 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nncn3C)C2)cc1 40513452 QMEDOSSSZKAJRI-LBPRGKRZSA-N 336.417 1.392 0 40 EDAB O=C(OCn1nnc2ccccc2c1=O)c1cc(=O)[nH]c2ccccc12 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342.378 1.530 0 40 EDAB O=C(NCc1ccc2c(c1)OCCO2)N[C@H]1CCN2CCCC[C@H]12 43163222 QGSJVWYAMHNQHV-LSDHHAIUSA-N 331.416 1.884 0 40 EDAB C[C@@H](Nc1cccc(N2CCN(CC3CC3)CC2)c1)C(=O)NC(N)=O 58434447 GKXNPGYOVPWRLY-CYBMUJFWSA-N 345.447 1.214 0 40 EDAB C[C@H]1CN([C@H](C)CNC(=O)Cc2cn3ccsc3n2)C[C@@H](C)O1 106056159 HWEZOUIHCHGASV-UPJWGTAASA-N 336.461 1.552 0 40 EDAB CC(C)CN(CC(C)C)C(=O)CN1CCN(c2cnccn2)CC1 55258875 CVXULVNJRVGZPV-UHFFFAOYSA-N 333.480 1.739 0 40 EDAB C[C@H](CNC(=O)[C@H]1CCCN(c2ncccn2)C1)CN1CCCC1 55538435 TWDNTZNZFIVYNT-CVEARBPZSA-N 331.464 1.541 0 40 EDAB CC[C@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1C[C@H](C)O 106868193 KPAXHFYQWYNUNS-HOTGVXAUSA-N 340.489 1.237 0 40 EDAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2N)cc1 3230253 IYMCRBASFXHVAP-UHFFFAOYSA-N 347.758 1.817 0 40 EDAB Cc1sc2ncn(CCC(=O)Nc3cnn(C)c3)c(=O)c2c1C 25308268 NWDDYVLHUZPXSQ-UHFFFAOYSA-N 331.401 1.837 0 40 EDAB Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)n1 25582741 LIVNKTXHQOOJRH-UHFFFAOYSA-N 339.442 1.632 0 40 EDAB COc1ccc([C@@H](NC(=O)CN2CCN(C)C[C@@H]2C)C2CC2)cc1 107580742 JJJKFFYMEIDXLB-LIRRHRJNSA-N 331.460 1.898 0 40 EDAB CCCNC(=O)NC(=O)CN1CCN(c2ccccc2Cl)CC1 35354948 UWAXZYKPJDSSGB-UHFFFAOYSA-N 338.839 1.698 0 40 EDAB CN1C[C@@H]2CN(S(=O)(=O)CCCF)C[C@H]2[C@@H]1c1ccccc1 108097069 MQGQUROSAUNAOO-OAGGEKHMSA-N 326.437 1.911 0 40 EDAB CSc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 12623317 KPWJMDXZWPGSKQ-WDEREUQCSA-N 329.443 1.479 0 40 EDAB CC(C)N(CCCNC(=O)c1ccc(N(C)C)cc1)S(C)(=O)=O 44578457 HBDSRZBIBLPPDO-UHFFFAOYSA-N 341.477 1.543 0 40 EDAB C[C@H](NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1)[C@@H]1CCCO1 89894310 BTGJTHZGJZRRGQ-BPUTZDHNSA-N 332.400 1.098 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccccc2O)CC1 27343322 KXRWKEJMAWPXOQ-LBPRGKRZSA-N 343.435 1.109 0 40 EDAB C[C@@H](c1cccs1)N(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 27555317 TXPMLYNQNQSZLU-VIFPVBQESA-N 348.428 1.391 0 40 EDAB CNC(=O)NC(=O)CCCN1CCN(c2cccc(Cl)c2)CC1 58291814 XDKVPYJZLSUFTI-UHFFFAOYSA-N 338.839 1.698 0 40 EDAB CN(C)c1ccc(CNC(=O)NC[C@H](O)c2ccc(F)cc2)cn1 44955308 IOLFGBFSSXYPOC-HNNXBMFYSA-N 332.379 1.820 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 44969654 MTOVVAZQFPMHIK-RYUDHWBXSA-N 333.358 1.455 0 40 EDAB COc1ccc(OC)c2c1CN(Cc1ccn(C)c(=O)c1)C[C@H]2O 44975405 NVSXFPVQMDWONN-CQSZACIVSA-N 330.384 1.452 0 40 EDAB Cc1nn2c(=O)cc(CN3CCC(c4ccnn4C)CC3)nc2s1 58341179 BEBOZYFOIFBXDT-UHFFFAOYSA-N 344.444 1.573 0 40 EDAB COc1cccc(CN(C)S(=O)(=O)c2ncn(C)c2Cl)c1 27945229 UOHPCQCTYIQNPQ-UHFFFAOYSA-N 329.809 1.903 0 40 EDAB O=C(C1CCN(c2cc(=O)n3ccccc3n2)CC1)N1CCCCC1 10973872 BZCKDTHOSOENFQ-UHFFFAOYSA-N 340.427 1.923 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cccc(F)c3)CC2)no1 36407970 VGCRLHGBDDYZPF-UHFFFAOYSA-N 346.362 1.519 0 40 EDAB COCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)C2)cc1 12733187 KDWHGCAGYKGVTE-ZDUSSCGKSA-N 340.445 1.483 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCCOc3ccccc3)CC2)on1 48276621 IMKFVCZWUJEIPT-UHFFFAOYSA-N 344.415 1.889 0 40 EDAB Cc1csc(CNC(=O)CCc2ccc(S(N)(=O)=O)cc2)n1 48251454 KRLAASDRNVXTIM-UHFFFAOYSA-N 339.442 1.348 0 40 EDAB CS(=O)(=O)NC1CCN(Cc2nc(-c3ccsc3)no2)CC1 12917919 JNVRHWFBSVOYDK-UHFFFAOYSA-N 342.446 1.312 0 40 EDAB CCc1noc([C@H](C)N2CCN(CC(=O)Nc3cc(C)no3)CC2)n1 69421218 SDOAXHQATRVHQV-LBPRGKRZSA-N 348.407 1.246 0 40 EDAB Cc1ccc(CN(C)C(=O)Cn2nnn(-c3ccccc3)c2=O)cc1 12978036 SUFMEWHZUHOXSB-UHFFFAOYSA-N 337.383 1.396 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)N[C@@H](C)c3cccs3)CCO2)c1 69458781 JVMCQACBTPMZBD-GJZGRUSLSA-N 348.472 1.831 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNC(=O)c2csc(-c3nnc[nH]3)n2)C1 69451810 ZAFATLNXHDCLPA-PHIMTYICSA-N 334.449 1.636 0 40 EDAB CCNC(=O)CN1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1 63770492 ZZKKAROVJWGYRN-UHFFFAOYSA-N 347.503 1.729 0 40 EDAB O=C1NCCCC[C@H]1NC(=O)[C@]12CCC(=O)N1c1ccccc1S2 63780725 OXPXDKSMHCSCSQ-PIGZYNQJSA-N 345.424 1.400 0 40 EDAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NCCn1nccc1C 49548555 IMWDHLWUUBYHCO-UHFFFAOYSA-N 346.435 1.416 0 40 EDAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2cccs2)N1CCO 13686095 FSSAICSQXHAWEP-HIFRSBDPSA-N 339.438 1.389 0 40 EDAB O=S(=O)(Nc1cccnc1N1CCOCC1)c1ccc(F)cc1 69585863 INZZPYYSUQLWAO-UHFFFAOYSA-N 337.376 1.858 0 40 EDAB CCn1cc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2C)c(C)n1 13720281 AZPQLCXQKINPBS-ZBFHGGJFSA-N 335.429 1.490 0 40 EDAB C[C@H]1C[C@@H](N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)C(=O)O1 69509190 CPRCNIQRLRFBDF-IINYFYTJSA-N 340.782 1.941 0 40 EDAB Cc1ccc(NC(=O)CCNC(=O)N(C)Cc2cnn(C)c2)nc1 69594819 OKNFWVNCPWZTJR-UHFFFAOYSA-N 330.392 1.294 0 40 EDAB Cc1cc2oc(=O)cc(COC(=O)C3=NNC(=O)CC3)c2cc1C 4347940 YFEUXSUWNSTXLY-UHFFFAOYSA-N 328.324 1.719 0 40 EDAB COCCN1CCCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1 65427761 MMLKZCXTCYCZAZ-UHFFFAOYSA-N 349.431 1.322 0 40 EDAB C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1nnc2n1CCC2 65565522 WTALCDJDXACBES-GFCCVEGCSA-N 339.399 1.842 0 40 EDAB O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] 65549276 PJIFWEBDNBSELU-KGLIPLIRSA-N 338.408 1.275 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C(=O)c1cnn(-c2ccccc2)c1)C1CC1 69841163 DPAQRVJBPKCLKK-ZDUSSCGKSA-N 347.440 1.910 0 40 EDAB CCNC(=O)NC(=O)COC(=O)c1cccc(Br)c1 6561261 ZYSUUGOVPGBMIW-UHFFFAOYSA-N 329.150 1.452 0 40 EDAB CN(C)CCn1c(N)c(S(C)(=O)=O)c2nc3ccccc3nc21 5680226 UNFLEMUXPKUDSA-UHFFFAOYSA-N 333.417 1.132 0 40 EDAB C[C@H]1CN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C[C@@H](C)O1 14914269 SYJBGNDNOPSLRF-PHIMTYICSA-N 332.383 1.946 0 40 EDAB COc1cccc([C@@H]2C(C(N)=O)=C(C)Nc3nc(SC)nn32)c1 8843472 DGJYBRVWSDRTOS-GFCCVEGCSA-N 331.401 1.783 0 40 EDAB Cn1c(=O)n(CCO)c(=O)c2c3c(sc21)CCc1ccccc1-3 71279850 MWXMARGHFSDVEJ-UHFFFAOYSA-N 328.393 1.520 0 40 EDAB NC(=O)c1ccc(CNC(=O)c2cccnc2N2CCCCC2)o1 81013059 KISOBHSELCDLOE-UHFFFAOYSA-N 328.372 1.694 0 40 EDAB O=S1(=O)CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 68905349 RQRPOZFIONKXCK-UHFFFAOYSA-N 330.413 1.262 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)NCc1cccs1 69038413 IWNFESFEHCYGKR-UHFFFAOYSA-N 331.463 1.267 0 40 EDAB CCN1C[C@@H](C(=O)NCc2nnc(-c3ccccc3)s2)CC1=O 89977166 GNFMVKOSOGBJGZ-LBPRGKRZSA-N 330.413 1.690 0 40 EDAB CC[C@@H]1CN(C(=O)C[C@H](NC(N)=O)c2cccc(C)c2)C[C@@H]1N(C)C 89948381 KJHRCVYMIVSYOY-PVAVHDDUSA-N 346.475 1.893 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1noc(C2CC2)n1 72299496 JDAWNBZPABACMD-QWRGUYRKSA-N 325.390 1.045 0 40 EDAB O=C(CCNc1ncccn1)N1CCCN(c2nccs2)CC1 71830815 ZKVVLFWSSPTRSQ-UHFFFAOYSA-N 332.433 1.474 0 40 EDAB O=C(Nc1nncs1)[C@H]1CCCN(C(=O)NCc2cccnc2)C1 72272957 KKOFIBLOOCARFW-LBPRGKRZSA-N 346.416 1.493 0 40 EDAB CCCCn1nnnc1CNC(=O)c1ccc(-n2ccc(C)n2)cc1 71910456 YHGRUJLTVBIWRO-UHFFFAOYSA-N 339.403 1.897 0 40 EDAB CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CCS(=O)(=O)C1 71913572 RPRMIJFKCYTUSY-HNNXBMFYSA-N 345.509 1.327 0 40 EDAB Cc1n[nH]c([C@H]2CN([C@@H]3CCCN(c4ccccc4)C3=O)CCO2)n1 76048590 YYHDFRGJZNGRTR-HZPDHXFCSA-N 341.415 1.682 0 40 EDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)C1=O 76058911 RMUVSJXGJHRBNO-BDJLRTHQSA-N 333.392 1.099 0 40 EDAB O=C(NCCNC(=O)c1cc[nH]n1)c1ccc(Cl)c(Cl)c1 97392279 FKFRXNCTPOUTHY-UHFFFAOYSA-N 327.171 1.876 0 40 EDAB CCCn1nccc1NC(=O)N1CCN(c2ccnc(C)n2)CC1 97376249 IBGGBRVRZCWEIJ-UHFFFAOYSA-N 329.408 1.746 0 40 EDAB COCCNc1ncc2c(n1)CC[C@H](NC(=O)c1cccc(C)n1)C2 306144042 YUHUGRDBVWPIKQ-AWEZNQCLSA-N 341.415 1.526 0 40 EDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H]2C[C@@H]2c2ccco2)C1=O 95385596 XKGZYNYKGPTHLZ-ZJNRKIDTSA-N 339.351 1.882 0 40 EDAB CCc1ccc([C@@H](CNC(=O)N2CCC[C@H]2C(=O)NC)N(C)C)cc1 95436828 QQBFVENDYTXQKZ-DLBZAZTESA-N 346.475 1.772 0 40 EDAB COc1ccc([C@@H](CN2CCN(C)CC2)NC2CCN(C)CC2)cc1 95421500 NSCIKMRAESRMMW-HXUWFJFHSA-N 346.519 1.668 0 40 EDAB CN1CCO[C@@H](CN(C(=O)Cc2cccnc2)c2nccs2)C1 95402088 JVDJQXALZNJVNW-CQSZACIVSA-N 332.429 1.444 0 40 EDAB O=S(=O)(NCCOC[C@@H]1CCCO1)N1CCC[C@@H]1c1ccco1 78880912 NBKYBDOQVHDWJS-UONOGXRCSA-N 344.433 1.447 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)CCCn3ccnc3C)CCO2)n1 78889802 AKZQRUPFELWLIK-CQSZACIVSA-N 346.435 1.642 0 40 EDAB O=C(COc1cc(Cl)ccc1Cl)N1CCn2c(n[nH]c2=O)C1 95942062 OPFFKEKVUQALIK-UHFFFAOYSA-N 343.170 1.299 0 40 EDAB C[C@@H]1CC[C@H](C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)O1 95977006 KIDRKKAYYRGNCO-CZUORRHYSA-N 328.416 1.775 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)CN(CCc2ccccc2)C(C)=O)[C@@H]1OC 95942080 SFQAPXSPTMNDRB-LMMKCTJWSA-N 348.443 1.386 0 40 EDAB COCC(=O)Nc1cccc(NC(=O)N2CCN3CCCC[C@H]3C2)c1 89409672 AGKZDOBGAGDXDS-INIZCTEOSA-N 346.431 1.974 0 40 EDAB Cc1ccc(C(=O)N2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]1 75125635 DZSPBEKVJPDFFH-KBPBESRZSA-N 333.432 1.397 0 40 EDAB NS(=O)(=O)[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 75144435 ZLPJWEIWYWJWQP-NSHDSACASA-N 342.417 1.934 0 40 EDAB Cn1ccnc1CNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 89761450 HZWLBSXFLGTIME-NSHDSACASA-N 334.811 1.547 0 40 EDAB O=C(C[C@H]1Cc2c(O)nc(O)nc2NC1=O)Nc1ccc(Cl)cc1 1548338326 IQWBMZANCDGTRR-SSDOTTSWSA-N 348.746 1.681 0 40 EDAB O=C(O)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1cncc(F)c1 547563260 QOOKIUNVRCNFEV-ZDUSSCGKSA-N 342.323 1.334 0 40 EDAB Cc1cocc1C(=O)N1C[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)C(C)(C)C1 1008355275 ODYNSNSFGJVZTI-FZKQIMNGSA-N 347.415 1.081 0 40 EDAB CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ccc4oc(O)nc4c3)C[C@@H]2C1 1009789675 YSPLEYBFPIDNKH-HZSPNIEDSA-N 343.383 1.910 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCS(=O)(=O)CC(C)C)C2 72279018 YCIISDKPIBQBQY-CYBMUJFWSA-N 327.450 1.083 0 40 EDAB NC(=O)CCc1cccc([C@@H]2CCCN2C(=O)C2CCOCC2)n1 72360533 WCLPMXGOCOPOIA-INIZCTEOSA-N 331.416 1.590 0 40 EDAB Cc1ccc(C)c(CC(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)c1 518775820 WTBXACDBLCEEMI-HNNXBMFYSA-N 342.399 1.999 0 40 EDAB COc1ccccc1CN1C[C@@H](C(=O)Nc2nnc(C)s2)CC1=O 31813459 HHAGCUVOCNYMMW-LBPRGKRZSA-N 346.412 1.842 0 40 EDAB COc1ccc(NC(=O)C2(n3cnnn3)CCCCC2)c(OC)c1 36353491 AOIMDULKXZWTTJ-UHFFFAOYSA-N 331.376 1.988 0 40 EDAB C[S@](=O)c1nncn1-c1ccc2nnc(-c3ccccc3)n2n1 79311273 VJWQGNUXSPKGSL-HSZRJFAPSA-N 325.357 1.109 0 40 EDAB O=C(N[C@H]1CCOc2ccc(F)cc21)[C@H]1COCCN1CC(F)F 187658252 ZXSFFPHDXREIGR-QWHCGFSZSA-N 344.333 1.731 0 40 EDAB COc1ccccc1NS(=O)(=O)c1nnc(NC(C)=O)s1 36182834 DHJURASYWGIWQV-UHFFFAOYSA-N 328.375 1.306 0 40 EDAB CCN1Cc2nc(OC)c(CNC(=O)C[C@@H]3CCCO3)cc2C1=O 71416379 DPHZKEYMHNJPBV-LBPRGKRZSA-N 333.388 1.251 0 40 EDAB Cc1nc(N)cc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n1 72387863 HHUQZYDJLAOJAF-HNNXBMFYSA-N 330.363 1.649 0 40 EDAB CC(C)(C)OC(=O)N1C(C(=O)O)=C(Br)S[C@H]1N 71791420 JHGFWYRRUDNRFM-ZETCQYMHSA-N 325.184 1.861 0 40 EDAB CN(C)c1ccnc(CNS(=O)(=O)c2ccccc2Cl)n1 211099941 RKXVCJMLHYLJTR-UHFFFAOYSA-N 326.809 1.675 0 40 EDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 44285025 XODOIWXSZRQPIO-CQSZACIVSA-N 333.432 1.506 0 40 EDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 223286275 VIDIWBBHDKZEHQ-FMIVXFBMSA-N 344.436 1.967 0 40 EDAB O=C1CCCN1Cc1ccc(C(=O)N2CCC[C@H]3CNC[C@H]32)cc1 570079765 UARNQTUNROHHET-DLBZAZTESA-N 327.428 1.633 0 40 EDAB Cn1cccc1[C@H]1COCCN1[C@@H]1CCN(CC(F)(F)F)C1=O 131938547 OMALMISIVFIKSV-CHWSQXEVSA-N 331.338 1.562 0 40 EDAB CCS(=O)(=O)c1ccccc1N1CCN(Cc2n[nH]c(C)n2)CC1 225522542 HNYLLWPKJQFCRK-UHFFFAOYSA-N 349.460 1.229 0 40 EDAB CC1(C)CN(C(=O)NCc2nnnn2CC2CC2)[C@@H]1[C@@H]1CCCO1 572086439 NLILJVFHGGGVGX-GXTWGEPZSA-N 334.424 1.182 0 40 EDAB CC1(C)CN(C(=O)NCc2nnnn2CC2CC2)[C@@H]1[C@H]1CCCO1 572086447 NLILJVFHGGGVGX-TZMCWYRMSA-N 334.424 1.182 0 40 EDAB Cc1cn(-c2ccccc2)nc1OC(C)(C)C(=O)NCC(=O)N(C)C 227151265 BBGLKXVMRNLRBL-UHFFFAOYSA-N 344.415 1.543 0 40 EDAB O=S(=O)(Cc1ccon1)N1CCC[C@H](c2nncn2C2CC2)C1 329367469 IWRYRDIOPAWQQG-NSHDSACASA-N 337.405 1.310 0 40 EDAB CC(C)Cn1cnc2c1[C@H](C(=O)O)CN(C(=O)c1cscn1)C2 96067855 XRSFKKYRVAHVDJ-SNVBAGLBSA-N 334.401 1.820 0 40 EDAB O=C(NCc1cccnc1)C1=NO[C@@]2(CCN(C3CCOCC3)C2)C1 96225817 PDIOKNOKMNCASY-SFHVURJKSA-N 344.415 1.098 0 40 EDAB CCCS(=O)(=O)N1CCc2nc(N3CCCC3)nc(C)c2CC1 96083869 HVGOOWWGLIAKQV-UHFFFAOYSA-N 338.477 1.526 0 40 EDAB CC(C)CN1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1C[C@@H](O)CN12 514288994 HWVNBWPPEFDGTO-QZTJIDSGSA-N 343.471 1.288 0 40 EDAB biogenic,in-vitro O=C(O)[C@@H](O)[C@@H](O)C(=O)N(Cc1ccccc1)Cc1ccccc1 98088249 QHERASGNOTZQLN-CVEARBPZSA-N 329.352 1.022 0 40 EDAB Cc1cc([C@@](C)(O)CNC(=O)c2sccc2-n2cnnn2)c(C)o1 96444504 SMCRSFIYVXHLLG-HNNXBMFYSA-N 347.400 1.571 0 40 EDAB CCn1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(C)cc2)n1 96181408 SYGOTQPXOVWAHG-IAGOWNOFSA-N 342.399 1.748 0 40 EDAB CN1CCN(c2ncnc3c2CCN(Cc2ccccn2)CC3)CC1 96255679 JKWGVLQVECAMRA-UHFFFAOYSA-N 338.459 1.224 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)Cc1ccc3c(c1)CCO3)CC2 97198959 DNJZMCYVGODIBJ-CQSZACIVSA-N 326.400 1.449 0 40 EDAB Cn1cc([C@@]2(C)CN(C(=O)[C@H](C3CC3)N3CCCC3)CCO2)cn1 97376266 PURMMYBUVJJHTI-FUHWJXTLSA-N 332.448 1.369 0 40 EDAB C[C@@H](NS(C)(=O)=O)C(=O)NCC1(c2cccc(Cl)c2)CC1 96417860 SUVVGMVDLRYFQG-SNVBAGLBSA-N 330.837 1.426 0 40 EDAB COCCN(C)C[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccccn3)C2)C1 248045188 MERZQYLIHYHXRG-APWZRJJASA-N 347.459 1.671 0 40 EDAB CCCS(=O)(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F 249700315 XQWFRYRSWPZQRF-IHRRRGAJSA-N 344.408 1.571 0 40 EDAB CCS(=O)(=O)N1CC(CNC(=O)N(C)[C@H](C)C2CCCCC2)C1 252510211 ZEJWSSWFJIBGOZ-CYBMUJFWSA-N 345.509 1.878 0 40 EDAB COc1cc(CCC(=O)N2CC[C@@H]3[C@H](CCCCN3C(C)=O)C2)on1 257311626 UKJDDOBLCFDYMX-GDBMZVCRSA-N 349.431 1.865 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257290906 QETZAMZZVORQAQ-OAHLLOKOSA-N 329.404 1.700 0 40 EDAB Cc1csc(C(=O)N(C)C[C@]2(O)CCN(c3cc(C)ncn3)C2)c1 257280089 OJJSUMYZLNVJAK-QGZVFWFLSA-N 346.456 1.868 0 40 EDAB Cc1cc(C)n(CCCC(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)n1 257251940 JSXUKYWGUIRSHN-JFIYKMOQSA-N 334.464 1.384 0 40 EDAB CN(C)S(=O)(=O)N(C)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O 257235469 GXZMGPIMPUIJRQ-ILXRZTDVSA-N 328.434 1.086 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)CCOc2ccccc2)CCO1 257200094 ABYNAYWVTLNZNG-CQSZACIVSA-N 328.372 1.428 0 40 EDAB CC(C)n1nccc1C(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257265093 LXHXOKFXJPSFCN-GOSISDBHSA-N 343.431 1.620 0 40 EDAB O=C(CC1(O)CCCCC1)N1CCOC[C@@H]1CCc1cnccn1 257315943 VDKMSMLGICGGTB-INIZCTEOSA-N 333.432 1.722 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 257321894 WDSQOUYHJFPQIE-GOSISDBHSA-N 345.491 1.414 0 40 EDAB CCOC(=O)c1n[nH]c([C@@H](C)Nc2ncc(C(=O)OCC)c(C)n2)n1 585092505 BBLYMYAKTHYFJO-SECBINFHSA-N 348.363 1.430 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 257296823 RENABGABWZCRPP-CQSZACIVSA-N 328.372 1.418 0 40 EDAB COC[C@H](O)c1cccc(NS(=O)(=O)c2cnc(Cl)n2C)c1 585118918 IAIGFLKIOCPVCE-NSHDSACASA-N 345.808 1.554 0 40 EDAB Cn1ccnc1[C@H](CC(=O)N1CCCC[C@@H]1C(=O)O)C(F)(F)F 585134939 PUPRSOXMBIZCKO-VHSXEESVSA-N 333.310 1.922 0 40 EDAB CN(C)CCn1c(O)nc2ccc(C(=O)N3CCCSCC3)cc21 585121560 SBQOSRPBFZLRIB-UHFFFAOYSA-N 348.472 1.883 0 40 EDAB Cc1cc(C)n(CCCC(=O)N2CCO[C@@H](c3cnccn3)C2)n1 257273452 NGPZGTRGPFBYIX-MRXNPFEDSA-N 329.404 1.670 0 40 EDAB NCc1cnn(-c2ccccc2C(=O)NCCN2CCCCC2)c1 257263083 LOHZUOCGPZOTMJ-UHFFFAOYSA-N 327.432 1.547 0 40 EDAB Cc1cnc(C(=O)N2CCO[C@@H](CCc3cc(C)ncn3)C2)cn1 257287138 PORKLYDIGZSVTH-HNNXBMFYSA-N 327.388 1.357 0 40 EDAB C[C@@H](NCCN(C)C(=O)OC(C)(C)C)c1cn(C2COC2)nn1 1615001144 MSCYMARGAWNAOU-LLVKDONJSA-N 325.413 1.367 0 40 EDAB COC(=O)[C@H]1CCc2nnc(COc3ccccc3OC)n2CC1 601045579 YLWRONRQWRBKJU-LBPRGKRZSA-N 331.372 1.991 0 40 EDAB O=C(c1ccc(=O)[nH]n1)N1CC(Oc2nc3ccccc3s2)C1 90593993 DQZZPPOXGMOPCG-UHFFFAOYSA-N 328.353 1.283 0 40 EDAB Cc1nc(C(=O)NC[C@H]2CO[C@@H]3CN(C(=O)[C@H]4C[C@H]4C)C[C@H]23)cs1 575403288 GUNVWLICNQNMSO-WEVZDULTSA-N 349.456 1.311 0 40 EDAB O=S1(=O)C=C[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575422660 BUDDZSXONUSUGJ-SSDOTTSWSA-N 342.225 1.582 0 40 EDAB CC(C)CCC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1 575405342 RSFPXIZITWHVFA-HNNXBMFYSA-N 334.420 1.757 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575402985 HITUFQSYFVFENL-AWEZNQCLSA-N 342.486 1.898 0 40 EDAB O=C(NC[C@H]1CCCNC1=O)c1ccc2nc(O)n(C3CC3)c2c1 668442876 OYGMFQDLEPDNLE-LLVKDONJSA-N 328.372 1.333 0 40 EDAB COCCN1CC[C@]12CCCN(C(=O)c1nnsc1C1CC1)C2 585102245 VEDQAAREICTIJP-INIZCTEOSA-N 336.461 1.742 0 40 EDAB O=C(c1ccco1)N1CCO[C@@H]2CN(C(=O)C3(F)CCC3)C[C@@H]2C1 585107976 PLKYQDWQTBYFRJ-GXTWGEPZSA-N 336.363 1.471 0 40 EDAB COc1cccc(CN(C)C(=O)[C@@H]2CC[C@@H](N(C)C(C)=O)[C@H]2O)c1 585281528 YSSNQMBCNDSBNB-ZACQAIPSSA-N 334.416 1.271 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCc1cccc(N2CCOC2=O)c1 56964408 VUOZNBQDDGQOHS-WFASDCNBSA-N 345.399 1.422 0 40 EDAB C[C@H](Nc1ccc(OC[C@H]2CCCO2)cc1)C(=O)N1CCNC1=O 56186187 FIBYIDZTFLPJEM-SWLSCSKDSA-N 333.388 1.597 0 40 EDAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc(C2CC2)[nH]n1 57849580 KDWCOPUHEAUDMZ-UHFFFAOYSA-N 328.372 1.915 0 40 EDAB C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1nnc2n1CCC2 66966135 HSWNKUYWJTZCOX-JTQLQIEISA-N 334.401 1.119 0 40 EDAB O=C1NCCCC[C@@H]1NC(=O)[C@]12CCC(=O)N1c1ccccc1S2 68106933 OXPXDKSMHCSCSQ-APPDUMDISA-N 345.424 1.400 0 40 EDAB CN(CC(=O)NCc1cccc(OCC(F)F)c1)c1cnccn1 69558858 QKYHBMXHUAAPLU-UHFFFAOYSA-N 336.342 1.873 0 40 EDAB COCCOCC(=O)NCc1cc(Br)ccc1OC 69616778 BTKOGJBIEMAHNS-UHFFFAOYSA-N 332.194 1.737 0 40 EDAB C[C@@H](O)CN1CCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 69810312 FPHVVDQMYKMXSZ-HUUCEWRRSA-N 337.439 1.171 0 40 EDAB O=S(=O)(NCCOC[C@@H]1CCOC1)N1CCC[C@@H]1c1ccco1 78880845 FFOZRTKEGKRGHX-ZIAGYGMSSA-N 344.433 1.304 0 40 EDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)[C@H]1C[C@@H]1c1ccccc1 1615204981 NBVLCVGFQCTFAQ-ATGSNQNLSA-N 339.413 1.342 0 40 EDAB Nc1ccn2ncc(C(=O)N3CC[C@H](C(F)(F)F)[C@@H](N)C3)c2c1 1615547619 OZGNWEILFAWMAP-QWRGUYRKSA-N 327.310 1.268 0 40 EDAB C[C@H](c1nc(C2CCCC2)no1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1616039447 WTCMNLKCBOVJRN-XTAFZBPGSA-N 331.372 1.951 0 40 EDAB COC(=O)c1cnc(NC(=O)c2nc3nc(C)cc(C)n3n2)s1 12997229 CTFOHVYNHBUTER-UHFFFAOYSA-N 332.345 1.237 0 40 EDAB CCN(CC(=O)NCC(C)C)S(=O)(=O)c1cc(F)ccc1OC 13581105 YACOEZPIOHLHGQ-UHFFFAOYSA-N 346.424 1.617 0 40 EDAB COC(=O)[C@@H]1Cc2[nH]cnc2CN1Cc1ccc(NC(C)=O)cc1 15707163 LFOQZROWIPXRKK-INIZCTEOSA-N 328.372 1.468 0 40 EDAB biogenic,in-vitro CCn1nccc1C(=O)N1CCO[C@H](C(=O)N2CCCCCC2)C1 19747180 IEVCZVBJASXKAS-HNNXBMFYSA-N 334.420 1.147 0 40 EDAB CC(C)(C)OC(=O)Nc1cc(B(O)OC(C)(C)C(C)(C)O)ccn1 203651622 ZVYRJZWPPRVOAH-UHFFFAOYSA-N 338.213 1.682 0 40 EDAB CCn1cc(/C=C/C(=O)NC(=S)NCc2cc(C)nn2C)cn1 2741015 SNPNXOWMNUJPAM-AATRIKPKSA-N 332.433 1.149 0 40 EDAB O=C(NCCCN1CCCC1=O)c1ccnc(O[C@H]2CCSC2)c1 225719826 ZRSWCBLTGRTHRG-AWEZNQCLSA-N 349.456 1.708 0 40 EDAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3ccno3)CC2)c1=O 575606122 BISRANASYQOBHS-UHFFFAOYSA-N 345.281 1.066 0 40 EDAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(=O)n(C)n3)c2C(N)=O)C1 8036270 XJVPEZMMSBQYPR-MRVPVSSYSA-N 346.412 1.318 0 40 EDAB Cc1ccc(N2C[C@H]3CN(C(=O)Cc4c(C)noc4C)C[C@@H]3C2)nn1 1888863491 CPHSPRMSHAGTCY-GJZGRUSLSA-N 341.415 1.527 0 40 EDAB Cc1ccc(NC(=O)CN2CCO[C@@H](C(=O)N3CCCCC3)C2)cc1 1888928988 FCCCLSJPQKBRGX-QGZVFWFLSA-N 345.443 1.647 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)N3CCCCC3)CC2)on1 25438223 DMKVWKOFPNLAQA-UHFFFAOYSA-N 335.408 1.145 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 25784932 NRQALDOKOYDEEI-STQMWFEESA-N 327.450 1.726 0 40 EDAB CCn1ncc(C(=O)N2CCO[C@@]3(CCCCN(C)C3=O)C2)c1C 2037985692 SHNICXJPRZFIBZ-KRWDZBQOSA-N 334.420 1.065 0 40 EDAB CN(C)CCN1C(=O)CCC12CCN(C(=O)C1CC(F)(F)C1)CC2 1565547974 ZPWSOVWMJKDYBK-UHFFFAOYSA-N 343.418 1.577 0 40 EDAB O=C(COc1nsnc1N1CCOCC1)Nc1ccc(F)cc1 426945 LLRLNOKOEBAABU-UHFFFAOYSA-N 338.364 1.531 0 40 EDAB O=C(CSc1nnc2ccc(-c3ccccn3)nn12)N1CCCC1 5168356 ORVWUTLWANXISG-UHFFFAOYSA-N 340.412 1.901 0 40 EDAB Cc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)nn1C 11613067 WBFZBONKAHWDCR-UHFFFAOYSA-N 327.300 1.760 0 40 EDAB O=C(NCC1CC1)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713554 FJCZSZCATHBQJY-CQSZACIVSA-N 330.432 1.598 0 40 EDAB Cn1cnc2ncnc(N3CCCN(c4ccc5nccn5n4)CC3)c21 2086867536 XXJWTHGGXMOBML-UHFFFAOYSA-N 349.402 1.123 0 40 EDAB CN(C)c1cccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)c1 43979710 IHGOODLZRNATSL-UHFFFAOYSA-N 339.461 1.154 0 40 EDAB Cc1cnc2n(c1=O)[C@@H](CC(=O)Nc1ccccc1C(N)=O)CS2 14032356 KLINMPKFIYBQAL-JTQLQIEISA-N 344.396 1.326 0 40 EDAB NC(=O)c1nnn(-c2ccc(NC(=O)/C=C/c3ccccc3)cc2)n1 70999083 DYAPEBKHJRUWMP-IZZDOVSWSA-N 334.339 1.413 0 40 EDAB CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 488852 ZRPJZVCYFPIXTC-PASDCYSWSA-N 327.380 1.840 0 40 EDAB biogenic CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccccc2F)c1 31710529 DCWMEQOCRNFKEF-UHFFFAOYSA-N 338.360 1.121 0 40 EDAB Cc1cc(N2CCN(C(=O)CCn3cccn3)CC2)nc(C(C)C)n1 40522846 TYVNEIQVXYAHHT-UHFFFAOYSA-N 342.447 1.844 0 40 EDAB CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 207876 BGQRXMCVRTWFOQ-ZXFNITATSA-N 329.352 1.545 0 40 EDAB biogenic C1CCC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1 244400 YJSFVRCIEQCRNA-UHFFFAOYSA-N 348.451 1.289 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 1426109 FKMNNMLQZJGJIU-UHFFFAOYSA-N 335.381 1.717 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(N)=O 2833134 JMQDNQOEVBFEHQ-WOPDTQHZSA-N 327.425 1.402 0 40 EDAB COc1ccccc1NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 32643426 IBCJXJCJOSZLFF-GFCCVEGCSA-N 338.367 1.972 0 40 EDAB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(CC(C)C)nc21 6559290 RHCGHKASEVWCKZ-UHFFFAOYSA-N 341.371 1.415 0 40 EDAB CCc1ccc2oc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 6811279 MPXLMDDFCYUNQS-LLVKDONJSA-N 335.381 1.272 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC(C)C)cc1 7077722 JJRMOJBSDQSSQF-LBPRGKRZSA-N 328.434 1.667 0 40 EDAB Nc1ccccc1S(=O)(=O)CCS(=O)(=O)c1ccccc1N 100723332 VHWONTKLUAORMP-UHFFFAOYSA-N 340.426 1.099 0 40 EDAB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N1CCNC1=O 32853894 DZBMUPAUNGUWHI-QMMMGPOBSA-N 336.348 1.908 0 40 EDAB CNC(=O)c1ccc(CN(C)CC(=O)Nc2nc(C)cs2)cc1 29932947 CFTHYLQIQMMNCD-UHFFFAOYSA-N 332.429 1.882 0 40 EDAB CCCN(C[C@@H]1CCCCO1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O 69775451 AFVKSTDJGLVEBZ-GJZGRUSLSA-N 346.493 1.608 0 40 EDAB CC(C)NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(-n2cccn2)cc1 69737671 HJVYZEAYIBVCHC-CYBMUJFWSA-N 335.429 1.700 0 40 EDAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)[nH]1 102723346 HGGIROZNLNAXMT-BETUJISGSA-N 344.367 1.309 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 107712789 GLKDVGJWKANBCG-ZFWWWQNUSA-N 344.408 1.430 0 40 EDAB CCN(c1ccc(NC(=O)CN(C)CC(=O)N(C)C)cc1)C(C)C 60941795 XHWSDDGIIVUXDU-UHFFFAOYSA-N 334.464 1.880 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCCN(Cc2ccccc2)CC1 41902260 HPMUTITVCXNMDK-MRXNPFEDSA-N 336.457 1.156 0 40 EDAB Cc1cnc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)s1 23269235 CKOPPANLBKPJEO-UHFFFAOYSA-N 336.417 1.987 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)CN1C(=O)CSc2ccccc21 42512704 GOELFLXNWYHZKC-GFCCVEGCSA-N 330.413 1.527 0 40 EDAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CCC[C@H]3C(=O)O)ccc12 3191842 FHLCGESJLLXQDI-FZMZJTMJSA-N 345.351 1.944 0 40 EDAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 42870916 SNHUCRWGPYFKNF-PWSUYJOCSA-N 328.459 1.954 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N(Cc2ccccc2)C2CC2)C[C@@H]1C 106868162 ZQKVZJYWTZTDMC-IRXDYDNUSA-N 345.487 1.565 0 40 EDAB Cn1c(=O)[nH]c2cc(C(=O)N3CCC[C@H](n4cccn4)C3)ccc21 69421235 VYQQSGHBLILUET-ZDUSSCGKSA-N 325.372 1.540 0 40 EDAB CCCCC[C@@H](C)NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1C 47945346 RGYXKAPOKMTAOL-LLVKDONJSA-N 342.465 1.551 0 40 EDAB COCCCNC(=O)[C@@H](C)N1CCC[C@@H]1c1c(C)nn(C)c1OC 107048932 RMYOAXRQEQDLAE-ZIAGYGMSSA-N 338.452 1.415 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)c1 69420360 VBSJZRCCWKJJOD-INIZCTEOSA-N 337.387 1.645 0 40 EDAB O=C1C[C@]2(CCN(Cc3cnn(-c4ccccc4F)c3)C2)C(=O)N1 82099467 RVCSSVCMSMIJRX-KRWDZBQOSA-N 328.347 1.250 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cn1C 26744245 LYUVXUCVRXFUHQ-LLVKDONJSA-N 333.413 1.525 0 40 EDAB CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C)c1 10029744 QOLWCGIXAKSYKD-JTQLQIEISA-N 335.360 1.425 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1OC(F)F 10030492 MDBFFEYXDAPOJT-SNVBAGLBSA-N 334.344 1.651 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(c2ccccc2OC)CC1 23389873 RGQMNOYWKAOTCS-UHFFFAOYSA-N 327.450 1.404 0 40 EDAB O=C(NCc1cn2ccccc2n1)NC[C@H]1COc2ccccc2O1 44895141 RQDFIWXNULAIKK-AWEZNQCLSA-N 338.367 1.974 0 40 EDAB C[C@@H](C(=O)NCc1ccc(F)cc1)n1cnc2c(N(C)C)ncnc21 58299121 JPMUSZXCFXPBAU-NSHDSACASA-N 342.378 1.909 0 40 EDAB O=C(NCc1cc[nH]n1)c1ccc(S(=O)(=O)N2CCCCC2)o1 44977928 ZHWCHVWTRHFRGB-UHFFFAOYSA-N 338.389 1.107 0 40 EDAB CCOCc1ccccc1CNC(=O)N[C@H]1CCS(=O)(=O)C1 44945953 PSRMGOCIBIFERM-AWEZNQCLSA-N 326.418 1.209 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)NCc2cccnc2N(C)C)C1 44951652 QBXZPSLAFYFEET-INIZCTEOSA-N 349.479 1.304 0 40 EDAB O=C(CCN1C(=O)COc2ccccc21)N[C@@H]1CCN2CCCC[C@H]12 44941832 UPGSWXHVKPIPKP-HUUCEWRRSA-N 343.427 1.545 0 40 EDAB CCc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC)o2)s1 36397786 CIAXYZCIPTXMHQ-UHFFFAOYSA-N 328.415 1.742 0 40 EDAB Cc1cccc(N2CCN(C(=O)CN(C)c3cnccn3)CC2)c1 48111750 RPZLUCSVZPVFTB-UHFFFAOYSA-N 325.416 1.570 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2ccc(Cn3cccn3)o2)CC1 28576519 CNVFRHWSQPDHFA-UHFFFAOYSA-N 331.372 1.940 0 40 EDAB COc1ccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1OC 12772839 WBDRLXRVAGJYPP-UHFFFAOYSA-N 342.351 1.965 0 40 EDAB COc1cccc(C(=O)NCCc2nnc3n2CCCCC3)c1OC 48310009 CAULGFBXTCFJFR-UHFFFAOYSA-N 344.415 1.994 0 40 EDAB C[C@@H](OC(=O)CCCNC(N)=O)C(=O)Nc1ccc(Cl)cc1 12804114 YEFCKXXZQOOFEY-SECBINFHSA-N 327.768 1.659 0 40 EDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1Cc1ccco1 3429698 PADQSAOIGSQTBV-UHFFFAOYSA-N 343.339 1.350 0 40 EDAB CCN(CCN1CCOCC1)CC(=O)Nc1ccc(NC(C)=O)cc1 69661484 OMRLLKYVRDOWPA-UHFFFAOYSA-N 348.447 1.238 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H](n4ccnc4)C3)nc2n1 69656470 NVIXUMRMZOYRSX-ZDUSSCGKSA-N 325.376 1.415 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1cnc(N3CCCC3)nc1)CC2 69621259 XYWFWUHQUWTESF-CQSZACIVSA-N 327.436 1.335 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)C3(C)CCOCC3)CC2)n1 69652247 IEKUOBZCHLNZBH-UHFFFAOYSA-N 334.420 1.259 0 40 EDAB CC(=O)O[C@@H]1CS(=O)(=O)C[C@H]1N(C(C)=O)c1ccc(Cl)cc1 4159570 RBBAQGBOALVWFW-ZIAGYGMSSA-N 345.804 1.422 0 40 EDAB CCOc1ccc(OCCCC(=O)OCC(=O)NC(=O)NC)cc1 8709750 QUEVGRRMYDGFFD-UHFFFAOYSA-N 338.360 1.243 0 40 EDAB CCCCN(CC(N)=O)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 49744153 OIILLCAKLIIXSY-UHFFFAOYSA-N 340.807 1.768 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2cc3ccccc3o2)NC(=O)NC1 18259402 LTKMSKXEIQCKGQ-UHFFFAOYSA-N 344.323 1.720 0 40 EDAB O=C(NC1CCCCC1)c1n[nH]nc1NS(=O)(=O)c1ccccc1 4388244 KHJOUQZJTZNNMQ-UHFFFAOYSA-N 349.416 1.668 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN(C)C)c1 6205250 BJKQFBFTHJHWKP-UHFFFAOYSA-N 327.450 1.526 0 40 EDAB CC1CCN([C@@H](CNC(=O)N[C@@H](C)c2nncn2C)C(C)C)CC1 65390750 FHUUZYGAYSCVLI-GJZGRUSLSA-N 336.484 1.932 0 40 EDAB COc1ccc(NC(=O)COCC(=O)Nc2ccccn2)c(OC)c1 13942225 ILUGFBRLKZHVGC-UHFFFAOYSA-N 345.355 1.693 0 40 EDAB COCCOc1ccc(NC(=O)N2CCC[C@@H](NC(C)=O)C2)cn1 65415643 UYMGFUYCPVUHOP-CQSZACIVSA-N 336.392 1.239 0 40 EDAB NC(=O)C1(CNC(=O)c2sccc2-n2cccc2)CCOCC1 65473197 LMNWAOXTIYCHSN-UHFFFAOYSA-N 333.413 1.551 0 40 EDAB Cc1nc2n(c1C)CCN(C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C2 65575384 NFPPFTNVYFNIRY-MRXNPFEDSA-N 349.456 1.453 0 40 EDAB C[C@@H]1CN(Cc2cccc(CNC(=O)NC[C@@H]3CCCO3)c2)CCO1 65563282 ORORLRFDSNXIMT-QAPCUYQASA-N 347.459 1.886 0 40 EDAB CCOCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 4510449 RPKBEFXXSPHOGG-ZDUSSCGKSA-N 342.417 1.119 0 40 EDAB CCN(C(=O)Cn1c(=O)n(C)c(=O)c2sccc21)c1ccccc1 6679507 UIOVRHOVBDUSDH-UHFFFAOYSA-N 343.408 1.815 0 40 EDAB Cc1ccccc1Nc1nc(N)nc(COC(=O)C2=COCCO2)n1 5621700 KSPCWFJJAITMFZ-UHFFFAOYSA-N 343.343 1.437 0 40 EDAB CC(=O)NCCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 6784706 DXCYJRGQAAEXME-UHFFFAOYSA-N 343.349 1.880 0 40 EDAB O=C(NC1CC1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 15894236 FLCFGVFZLXTFLR-XLSPSMHOSA-N 338.407 1.290 0 40 EDAB biogenic Cc1ccccc1-c1nnc(S(=O)(=O)CCCc2cn[nH]c2)n1C 90989024 YOCNOYIFWAEBIB-UHFFFAOYSA-N 345.428 1.920 0 40 EDAB C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)c1ccc[nH]c1=O 9499170 KILAXHXUXIRTFR-GFCCVEGCSA-N 326.352 1.900 0 40 EDAB C[C@@H]1CN(C2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H](C)O1 19868152 WSDALVGVMYXOLO-HUUCEWRRSA-N 338.473 1.949 0 40 EDAB O=C(c1ccncc1)N1CCCN(Cc2noc(C3CC3)n2)CC1 71822704 FRUYETADFOEDFL-UHFFFAOYSA-N 327.388 1.690 0 40 EDAB CO[C@](C)(C(=O)NCC(=O)NCc1ccccc1)c1ccccc1 71882655 DXKBOVXWRMSJOS-IBGZPJMESA-N 326.396 1.981 0 40 EDAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)O[C@@H]1CCOC1=O 71805135 WQCHFBMGJMHSQH-UDMGLPGGSA-N 335.400 1.568 0 40 EDAB Cc1cnn(C[C@H]2CCCN2CCNS(=O)(=O)c2ccccc2)c1 71875959 MEFPFTGUAOIUHP-MRXNPFEDSA-N 348.472 1.634 0 40 EDAB Cc1noc2ncc(C(=O)N3CCc4nnc(N(C)C)cc4C3)cc12 71860209 HTBCJVAJHDRBEV-UHFFFAOYSA-N 338.371 1.586 0 40 EDAB CCSc1ccc([C@@H](C)NC(=O)NCCNS(C)(=O)=O)cc1 71803112 STARZHBPMCXYAU-LLVKDONJSA-N 345.490 1.708 0 40 EDAB Cn1cc(CNC(=O)NCC(=O)NC(C)(C)C)c(-c2ccccc2)n1 96501257 VOPSWDUZZBTYHT-UHFFFAOYSA-N 343.431 1.801 0 40 EDAB O=C(CN1CCCNC1=O)N[C@@H]1CCCC[C@H]1Oc1ccccc1 71904548 DJQNAYOBYCJOOF-HZPDHXFCSA-N 331.416 1.908 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C(=O)c1noc2c1CCCC2)C1CC1 71904469 LTKSNXHLOATRLM-SNVBAGLBSA-N 326.418 1.591 0 40 EDAB CS(=O)(=O)CCC(=O)N1CCc2ccc(Br)cc21 71900090 USMCOVNFOLPFLR-UHFFFAOYSA-N 332.219 1.773 0 40 EDAB Cc1ccccc1OCCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72268920 DLSCNMBRFSVQOB-SJORKVTESA-N 332.444 1.822 0 40 EDAB CCc1nc(CN2CCCN(CC(=O)NCc3ccco3)CC2)no1 75603233 MDRPVHRXXDGOKZ-UHFFFAOYSA-N 347.419 1.049 0 40 EDAB CN(C[C@@H]1CCS(=O)(=O)C1)c1ncnc2cc(F)c(F)cc12 76063229 CITCJAATHHUPSG-VIFPVBQESA-N 327.356 1.779 0 40 EDAB O=C(CN1CCC(CN2CCCCC2=O)CC1)Nc1nccs1 72663943 RNQMEALAOBCYIH-UHFFFAOYSA-N 336.461 1.806 0 40 EDAB COc1ccc(Br)cc1CCC(=O)NCCC(=O)O 95424243 NXEBUELYJWDMQL-UHFFFAOYSA-N 330.178 1.981 0 40 EDAB C[C@@H](Cc1cccs1)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 95401281 AZZCRHZVUPPQDW-STQMWFEESA-N 344.502 1.715 0 40 EDAB Cc1c(C(=O)Nc2nnc(C3CC3)s2)cccc1S(N)(=O)=O 95435888 ZHZMFVUHQXOQFZ-UHFFFAOYSA-N 338.414 1.624 0 40 EDAB O=S(=O)(NC[C@H](c1ccco1)N1CCOCC1)c1cccs1 20614827 YEVQWKQCQYJSKM-GFCCVEGCSA-N 342.442 1.693 0 40 EDAB C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1O)Cn1ccnc1 95997801 FBRBNYADMMAZQO-LBPRGKRZSA-N 343.362 1.980 0 40 EDAB CN(Cc1ccncc1)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 95999922 BNXHOOLBZQCYDY-UHFFFAOYSA-N 345.424 1.368 0 40 EDAB O=C(NC[C@H](O)COCC1CC1)NC[C@H]1C[C@@]12CCc1ccccc12 88619458 UKZPPPIKHZHZCN-UWVAXJGDSA-N 344.455 1.977 0 40 EDAB CC[C@H](c1ccccc1)N1CCN(c2ccc(C(N)=O)nn2)CC1 75055090 IFTMWQMVWUAUQF-MRXNPFEDSA-N 325.416 1.849 0 40 EDAB C[C@H]1CN=C(N2CCN([C@H](C(N)=O)c3ccc(F)cc3)CC2)S1 79496764 AWZYZVVMPTUTSN-FZMZJTMJSA-N 336.436 1.461 0 40 EDAB COC[C@@H]1C[C@@H](OC)CN1C(=O)N[C@H]1CCc2nc(C)ncc2C1 551942783 VMKRXPOQTNSOIL-SOUVJXGZSA-N 334.420 1.088 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)N[C@@H](C)c2nncn2C)c1 60529294 PENLTJQGBLUGIC-ZDUSSCGKSA-N 330.436 1.827 0 40 EDAB O=C1CCC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)N1 1007570293 RFKHHQVBFIKRFC-GOEBONIOSA-N 333.407 1.575 0 40 EDAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCOC[C@H]1C(=O)O 521363661 KXINNSXTVLGCRA-INIZCTEOSA-N 328.368 1.706 0 40 EDAB CC(C)(CNC(=O)c1cc(Cl)ccn1)N1CCS(=O)CC1 79310569 HPTGPAJZOIKLLA-UHFFFAOYSA-N 329.853 1.308 0 40 EDAB COC(=O)[C@@H](NC(=O)c1ccc(C)cc1)c1nnc(C(F)F)o1 35681926 VJEXQXVTQQEYMI-VIFPVBQESA-N 325.271 1.960 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCCCN([C@@H](C)c3nnnn3C)C2)cc1 1034501430 VWUTZYTZRMDEFQ-HOCLYGCPSA-N 342.447 1.864 0 40 EDAB CCn1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)cn1 72265359 JZGPIASXVPYHOX-UHFFFAOYSA-N 336.373 1.632 0 40 EDAB Cn1nc(C(=O)N2CC[C@@H](C(=O)O)[C@H]2c2ccc(F)cc2)ccc1=O 72342764 REOVJHAYNYRDHF-IUODEOHRSA-N 345.330 1.207 0 40 EDAB CC(C)C[C@@H]1COCCN1C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O 564894902 FEUVESJTXWCVHH-ZIAGYGMSSA-N 325.453 1.842 0 40 EDAB COc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(=O)n(C)n3)C2)c1 75166416 XDKICIOMPALOBT-CYBMUJFWSA-N 342.399 1.644 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H](Oc2cccnn2)C1 225456827 FQRMQXJEARGIBW-CYBMUJFWSA-N 341.367 1.931 0 40 EDAB Cn1ncc2c(N)nc(N3C[C@H](O)C[C@@H]3c3ccc(F)c(F)c3)nc21 569513089 OGQNEUURMBKLDC-NOZJJQNGSA-N 346.341 1.536 0 40 EDAB Cc1ccn(CC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c(=O)c1 194876973 JGFNICJSNDHEBD-IRXDYDNUSA-N 347.459 1.041 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 222435925 HPFWDUDMFYFZEJ-UHQDVWGKSA-N 330.384 1.192 0 40 EDAB COCCCNC(=S)Nc1nc(OC)cc(N2CCCCC2)n1 225899999 LDVMKXDRBNUCDW-UHFFFAOYSA-N 339.465 1.798 0 40 EDAB CCCCOc1ccc(C(=O)Cn2nc3cnccn3c2=O)cc1 225443936 JVLIEJJLNDXXCH-UHFFFAOYSA-N 326.356 1.953 0 40 EDAB CCOc1cccc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)c1 225711677 VPECKAVQPPIGIK-ZDUSSCGKSA-N 335.429 1.823 0 40 EDAB O=C(O)COc1ccc(NC(=O)[C@H]2CCCS2(=O)=O)cc1Cl 572985874 UABZJFLBIVGAID-LLVKDONJSA-N 347.776 1.319 0 40 EDAB CCc1ccccc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCCC2)c1=O 222661812 OHJFEWWIQVSDHI-UHFFFAOYSA-N 343.383 1.382 0 40 EDAB Cc1nc(CNC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)sc1C 190297631 OEFDGYJHTWMBCH-GXTWGEPZSA-N 335.433 1.823 0 40 EDAB O=C(C[C@H](O)Cc1ccccc1)N1CCC[C@@H]1c1ccc(O)nn1 530077211 AQJFPQWNIFKPMC-GDBMZVCRSA-N 327.384 1.839 0 40 EDAB CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)c1cccnc1)CC2 96217736 YLHAIUKNHROLII-IBGZPJMESA-N 344.459 1.631 0 40 EDAB Cc1cc(C(=O)NCCNC(=O)c2ccc(-c3ccco3)o2)nn1C 96183680 IJRIDQKZZDXWMW-UHFFFAOYSA-N 342.355 1.741 0 40 EDAB O=C(Cc1ccccc1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 96067059 PYSBIJPFSWJKFU-QGZVFWFLSA-N 335.411 1.981 0 40 EDAB c1ccc(CN2CCOC[C@]3(C[C@H](CN4CCCC4)CO3)C2)nc1 96052025 KWMKAVWLAFKRHZ-MJGOQNOKSA-N 331.460 1.785 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(CC2CCCC2)Cc2nnn(C)c21 96198571 LUSZEPRCRSZEEF-CQSZACIVSA-N 335.452 1.009 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2cccnc2)[C@H]1c1ccc(F)cc1 96181774 NZACQBNELUMUSF-SJORKVTESA-N 343.358 1.435 0 40 EDAB Cn1cc(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1 96493972 MFPVXNAVZDZYNG-LBPRGKRZSA-N 340.836 1.631 0 40 EDAB CC(C)(CNc1nccc(C(F)(F)F)n1)N1CCS(=O)CC1 96418723 DACWXYMNRMLZJA-UHFFFAOYSA-N 336.383 1.750 0 40 EDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)c2ccco2)CC12CCOCC2 96052144 BKSAPRIKCUFQNZ-AWEZNQCLSA-N 332.400 1.675 0 40 EDAB CNC(=O)N1CCN(Cc2ccccc2)C[C@]2(CCCC(=O)N2)C1 96238345 KGFOLQTXAUYAPS-GOSISDBHSA-N 330.432 1.183 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3c2cccnc2)cn1 96186465 LEABURLDXZNDCV-HOTGVXAUSA-N 337.383 1.590 0 40 EDAB CN(C)C(=O)c1cccc(CCNC(=O)NCc2cnn(C)c2)c1 96439395 NCACEYFRNHMGCH-UHFFFAOYSA-N 329.404 1.164 0 40 EDAB COc1cccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)c1 96108281 WTGOZQVXFUKBHC-MJGOQNOKSA-N 332.444 1.476 0 40 EDAB O=C(O)CN(CC1CC1)C1CC(NC(=O)[C@H]2C[C@H]2c2cccnc2)C1 583622827 BJFUWMGILVGJQP-GQGLESIBSA-N 343.427 1.629 0 40 EDAB CC(C)(C)c1csc(CCNS(=O)(=O)N=S(C)(C)=O)n1 583651992 WQSLHCWKPDPAMI-UHFFFAOYSA-N 339.508 1.545 0 40 EDAB CCN1CCN(C(=O)NCC[C@H]2CCCO2)C[C@H]1c1nccn1C 583623975 YHZZFRKRUKPNKJ-CABCVRRESA-N 335.452 1.377 0 40 EDAB CN(C(=O)c1cc(C(F)(F)F)ccc1N)[C@H]1CCS(=O)(=O)C1 97227489 HTJWRVOHAPHNRK-VIFPVBQESA-N 336.335 1.547 0 40 EDAB C[C@@H](C(=O)NCCc1cccs1)N(C)C[C@H]1CCS(=O)(=O)C1 245338820 ORNPNXBXAKSFBA-QWHCGFSZSA-N 344.502 1.162 0 40 EDAB Cn1cnc2c1[C@H](C(=O)NCc1ccco1)CN(C1CCOCC1)C2 248074107 YOYMQOGKVSUTMS-OAHLLOKOSA-N 344.415 1.408 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2cccs2)Cc2cncn21 253490372 ILHSHEBMDKTZNN-CYBMUJFWSA-N 340.474 1.441 0 40 EDAB CCO[C@@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2ccnn2C1 253383836 MSSSKAQJCVBKRS-MRXNPFEDSA-N 349.456 1.708 0 40 EDAB Cc1cc(C)n(CC(=O)N(C)[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n1 257219986 DJCCIFPEJAUFCF-ZHALLVOQSA-N 343.427 1.929 0 40 EDAB CC(=O)N[C@H]1CCOC2(CCN(C(=O)Cc3ccccc3)CC2)C1 257279209 OFNONLYFTRMKIQ-KRWDZBQOSA-N 330.428 1.905 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)[C@@H]3CCCOC3)CC2)cn1 257277973 OAEKOCVPLBOEMZ-MRXNPFEDSA-N 346.475 1.746 0 40 EDAB COC(=O)[C@H](NC(=O)CSC[C@@H]1CCCCO1)c1ccccn1 584907194 YNBKQCRHHOLMAI-SWLSCSKDSA-N 338.429 1.714 0 40 EDAB C[C@@H](O)c1cn(C2CN(C(=O)C(F)(F)c3ccccc3F)C2)nn1 584908445 XICCISGGNIYDQU-SECBINFHSA-N 340.305 1.646 0 40 EDAB CCc1nccn1CCC(=O)N1CCO[C@@H](c2nccnc2NC)C1 257312541 UOLGGFDNVCRZBI-CYBMUJFWSA-N 344.419 1.267 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257343911 ZUXCFXNGAMZOPL-JTNHKYCSSA-N 346.353 1.006 0 40 EDAB Cn1cncc1CN1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 257213550 CIBDPEDZFTVLJC-IAGOWNOFSA-N 326.400 1.032 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nnc(O)n1C 585114716 UNXKXJIWEVJPKU-JTQLQIEISA-N 338.433 1.858 0 40 EDAB Cn1cncc1CC(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 585112972 PPDYLZIBLQYZQL-ZIAGYGMSSA-N 348.447 1.915 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCc1nn[nH]n1 585120734 GWXZBBDJWFCMFR-AWEZNQCLSA-N 328.420 1.255 0 40 EDAB O=C1CCC(=O)N1CCS(=O)(=O)N[C@@H]1CCCc2ccccc21 585115254 STKUROHAQUNEGW-CQSZACIVSA-N 336.413 1.132 0 40 EDAB c1ccc(COC[C@@H]2CN([C@@H]3CCOC3)Cc3ccnn3C2)nc1 253588591 JJANFKZRZLXKJJ-CRAIPNDOSA-N 328.416 1.716 0 40 EDAB CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1O 257321175 WAKZZEPBAPPRSO-QZTJIDSGSA-N 343.402 1.928 0 40 EDAB CCc1cc(C(=O)N2C[C@@H](O)[C@H](N3CCc4ccccc4C3)C2)no1 257202702 AMXVJNFXMFUVSG-QZTJIDSGSA-N 341.411 1.481 0 40 EDAB NC1(C(=O)N2CCCC[C@@H]2c2cc(O)n3nccc3n2)CCCC1 257246156 ISVAWUHKVLWBIK-CYBMUJFWSA-N 329.404 1.760 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)Cn2nnc3ccccc32)n1 257238795 HMODXVIYQOBGDB-CQSZACIVSA-N 326.360 1.063 0 40 EDAB O=C(O)c1cccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)n1 262569537 CFLYZOSPHGBIHT-AWEZNQCLSA-N 343.339 1.294 0 40 EDAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)c1cccnc1 85467720 JOKRBJIPBASZQN-MRXNPFEDSA-N 342.374 1.587 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C[C@H](O)C3CC3)CC2)c1 85466992 MOLXJJJSUZARLS-INIZCTEOSA-N 338.473 1.381 0 40 EDAB COC(=O)[C@H]1CCn2c(nnc2-c2cc(Br)c[nH]2)C1 601044761 QLNHOGGVMGUZIF-ZETCQYMHSA-N 325.166 1.771 0 40 EDAB COc1cc(CS(=O)(=O)N(Cc2cnn(C)c2)C2CC2)sn1 1615586330 LBPJZLJXNQAYSI-UHFFFAOYSA-N 342.446 1.380 0 40 EDAB CCn1ncc(CN[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2CCOC)n1 1615571152 GETWPSUYVDCHMS-KBPBESRZSA-N 339.440 1.412 0 40 EDAB CN(C)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)CCc1ccccc1O 1615590193 ZUHBWRHVMMBYDE-DZKIICNBSA-N 332.400 1.171 0 40 EDAB CC(=O)OCC(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390829947 HQBRRODJILBVJT-AWEZNQCLSA-N 343.376 1.077 0 40 EDAB CC(=O)N1CCC(NC(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 43879621 YEGXMUVIAPWWMD-HNNXBMFYSA-N 347.415 1.479 0 40 EDAB CN(C)c1ncccc1CNC(=O)CCS(=O)(=O)C1CCCC1 44952463 IWQHFYLKBFLWPB-UHFFFAOYSA-N 339.461 1.511 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(CC(=O)Nc3c(C)n[nH]c3C)CCO2)n1 69394129 DBQWDWZRJLRUIB-HNNXBMFYSA-N 346.435 1.179 0 40 EDAB COCCN1CCC(NC(=O)c2cc3c(C)nn(C)c3s2)CC1 58441380 QOOGQQMEHGNHRQ-UHFFFAOYSA-N 336.461 1.784 0 40 EDAB O=[S@@](CCN[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 69875823 LGOCPBFOSWWIGO-IQMFZBJNSA-N 330.457 1.843 0 40 EDAB CO[C@@]1(CNS(=O)(=O)Cc2cc(F)ccc2F)CCSC1 96097710 GRVSMPPFQIMXTB-CYBMUJFWSA-N 337.413 1.906 0 40 EDAB O=C(Cc1cccc(Br)c1)NC[C@]1(O)CCSC1 82965688 KUZHTBZABWZEPU-CYBMUJFWSA-N 330.247 1.976 0 40 EDAB O=C(N[C@H]1CCCOc2ccccc21)N[C@@H](CO)CC1OCCO1 1615054990 DXJPUEFJNGBZJO-OCCSQVGLSA-N 336.388 1.323 0 40 EDAB CCNc1ncnc2cc(C(=O)NC[C@H]3CCCS3(=O)=O)ccc12 1615557439 FHCBJXKWBZNXSP-GFCCVEGCSA-N 348.428 1.369 0 40 EDAB CCOc1cccc(S(=O)(=O)Nc2ccc(OCCO)nc2)c1 1616034350 BWISEHKSTFQUKX-UHFFFAOYSA-N 338.385 1.652 0 40 EDAB CCCC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)NC(C)=O 5201906 GCTQAGGEBYNJJG-OAGGEKHMSA-N 345.392 1.108 0 40 EDAB CCn1cc(C(=O)N2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)c(C)n1 12120078 MYNAEOBVWNWPHB-DOMZBBRYSA-N 341.415 1.405 0 40 EDAB CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H]1CCCC[C@@H]1C 12393294 CRQDBXCFZYRLAP-XGUBFFRZSA-N 326.437 1.909 0 40 EDAB CCNS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13585841 JRACVDXJYDHJMM-UHFFFAOYSA-N 342.442 1.640 0 40 EDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccnc3)C2=O)o1 6247654 RCQBZCRFIHTTJT-GHXNOFRVSA-N 327.296 1.554 0 40 EDAB COCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C(F)(F)C2)cc1 516639695 PWZITQIFPPPKJJ-GFCCVEGCSA-N 349.355 1.564 0 40 EDAB CO[C@H]1[C@H](CNC(=O)Cc2ccc(F)cc2C)COC[C@H]1OC 643585470 NPKWGTQEDIKBBO-UNEWFSDZSA-N 325.380 1.469 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 548023242 ZEKAAIIMCLKCKU-SUMWQHHRSA-N 348.491 1.710 0 40 EDAB Cc1ccccc1[C@@H]1NC(=O)NC2=C1C(=O)N(C[C@H]1CCCO1)C2 12346055 PTTLCJKYGQMLBE-WBMJQRKESA-N 327.384 1.624 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)cn1 1888856496 DZMSQYZHMTYMHZ-ZDUSSCGKSA-N 339.399 1.994 0 40 EDAB c1ccc(CCN2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1 1888904133 YFDVHTXMWXAVDV-UHFFFAOYSA-N 335.415 1.422 0 40 EDAB CC(C)[C@@H](NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)C(=O)O 33520822 XHDJVSKQHDFYSX-XHDPSFHLSA-N 334.372 1.416 0 40 EDAB O=C(CN1CCN(C(=O)C2CCCC2)CC1)NCc1ccccc1 22702159 JZLAEDRBUZOOJW-UHFFFAOYSA-N 329.444 1.637 0 40 EDAB O=C(CCS(=O)(=O)c1ccccc1)N1CC(Oc2cccnc2)C1 238973868 ZQRVYSQSGFPVGS-UHFFFAOYSA-N 346.408 1.535 0 40 EDAB COC(=O)CNC(=O)N1C[C@H](c2ccccc2)[C@H](c2nc(C)no2)C1 245108392 SVCQWHHNJFGMMD-ZIAGYGMSSA-N 344.371 1.444 0 40 EDAB CS(=O)(=O)C[C@H]1CCCCN1c1ncncc1Br 579435958 YLXUAWIJAOHRHF-SECBINFHSA-N 334.239 1.643 0 40 EDAB O=C([C@@H]1CCOC1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 1614930150 XQCWHROCITZTJA-SIXLDLHFSA-N 332.400 1.393 0 40 EDAB COc1ccc(CCNC(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc1 9823401 BTBKJRZQNDBCTI-QGZVFWFLSA-N 339.395 1.864 0 40 EDAB CCc1ccc(C(=O)N2C[C@@H]3C[C@H](CC(=O)NC(C)C)O[C@@H]3C2)cn1 2055719486 RJTRTSRAQFGSCY-USXIJHARSA-N 345.443 1.788 0 40 EDAB O=c1ccc(-c2ccncc2)nn1CC1CCN([C@@H]2CC[C@H]2O)CC1 585503584 SYYHXJCPSRMIDQ-QZTJIDSGSA-N 340.427 1.541 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)no1 24377987 MCOAMXDIKPFKRR-NXEZZACHSA-N 334.376 1.668 0 40 EDAB CCCn1nc(C(=O)N2CCN(Cc3cccnc3)CC2)ccc1=O 40481022 ISMVRDCIDWXZLB-UHFFFAOYSA-N 341.415 1.006 0 40 EDAB CN1N=C(C(=O)NCc2ccc(Cn3ccnc3)cc2)CCC1=O 40477612 ADDCYXJPVYEIRP-UHFFFAOYSA-N 325.372 1.156 0 40 EDAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccn2)n2ncnc2N1 190281 XBVPQQJELOODDI-OAHLLOKOSA-N 333.355 1.996 0 40 EDAB CC1(C)NC(=O)N(CCCN2CCN(c3ccccc3O)CC2)C1=O 40515848 IMBYRUWNIQGIGK-UHFFFAOYSA-N 346.431 1.235 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 40520271 HLSUOYCEVVAFAZ-SNVBAGLBSA-N 337.367 1.866 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cnn(C)c1 40527991 VIJOYUSRMRIGAG-LBPRGKRZSA-N 337.401 1.271 0 40 EDAB Cc1cccc(C2(CNC(=O)CN(C)S(C)(=O)=O)CCCC2)c1 72087022 HDANAAPUGZWGNU-UHFFFAOYSA-N 338.473 1.814 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1ncc(C)s1 69743675 XMDHMPYCSCAIHQ-LBPRGKRZSA-N 345.490 1.314 0 40 EDAB OCCN[C@@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 1667444 CMMXVKMSBWRYTM-ROUUACIJSA-N 345.351 1.501 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1Cc1noc(C2CCOCC2)n1 101547275 MUNYMVZDTCEYDA-AWEZNQCLSA-N 328.372 1.380 0 40 EDAB CN(C)C[C@@H]1CN(c2nc(-c3ccncc3)nc3c2CCC3)CCO1 69774163 RHAGLCJOWOWAEJ-OAHLLOKOSA-N 339.443 1.794 0 40 EDAB O=C(CSCC(=O)N1CCOCC1)Nc1ccc2[nH]ncc2c1 89807464 AIJYZOATGBZKGZ-UHFFFAOYSA-N 334.401 1.093 0 40 EDAB CC1(C)NC(=O)N(C[C@@H](O)COCc2ccccc2Cl)C1=O 21558948 GKSLSAKEDJQVQI-LLVKDONJSA-N 326.780 1.548 0 40 EDAB O=S(=O)(NCCCOC[C@@H]1CCCO1)c1ccc(F)c(F)c1 21699965 MDIHKNDYXQXZQB-NSHDSACASA-N 335.372 1.829 0 40 EDAB CN(C(=O)C1(c2ccccc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 32977290 DXJFSOPAGMLMHN-HNNXBMFYSA-N 337.441 1.380 0 40 EDAB NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 33018811 OHZRWMFQASNLMG-CYBMUJFWSA-N 327.340 1.633 0 40 EDAB CCCn1c(SCC(=O)c2cc(OC)ccc2OC)n[nH]c1=O 9738529 FFJTXCHPSMAYIP-UHFFFAOYSA-N 337.401 1.974 0 40 EDAB O=C(NCCc1cc(F)cc2c1OCOC2)[C@@H]1CC(=O)N(C2CC2)C1 52901290 GMQGRAWORGFFGX-GFCCVEGCSA-N 348.374 1.362 0 40 EDAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2cnn(C)c2C)cc1 22285222 DSBYSEXQDDWVSB-UHFFFAOYSA-N 343.383 1.447 0 40 EDAB COC(=O)CNC(=O)c1cccc(NC(=O)c2cc(C3CC3)[nH]n2)c1 53354805 HOKRQFIJEVXFTE-UHFFFAOYSA-N 342.355 1.442 0 40 EDAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)NCC2CCC2)c1 42020333 VTXNKOJXVVEZJH-UHFFFAOYSA-N 344.820 1.598 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NC1CCC(O)CC1 100217371 HPMKLFBKBOHRTK-LJIYDGJESA-N 342.395 1.493 0 40 EDAB COc1ccccc1CN(C)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 42298045 ABROCJIJDRWYTB-DZGCQCFKSA-N 333.432 1.239 0 40 EDAB Cc1cc(CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)no1 22817885 FRAIHKLDIRECKV-UHFFFAOYSA-N 338.415 1.826 0 40 EDAB O=C(Nc1cnn(CC(F)(F)F)c1)N1CC[C@@H](N2CC=CC2)C1 102716088 ZIFHDGBQDUIRCN-GFCCVEGCSA-N 329.326 1.923 0 40 EDAB CC(C)CN1CCN(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC1 22918488 DBJFFLPZPICFQW-KRWDZBQOSA-N 344.459 1.381 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)c1cc(-c2cccnc2)on1 46913310 UKMMIOVLQYRFRR-UHFFFAOYSA-N 338.371 1.985 0 40 EDAB COc1cc(NC(=O)CNc2ccc(F)c(C(N)=O)c2)cc(OC)c1 47272727 SRPZWVABTKHVEI-UHFFFAOYSA-N 347.346 1.992 0 40 EDAB COCCCNC(=O)[C@H](C)N1CCC[C@@H]1c1c(C)nn(C)c1OC 75605340 RMYOAXRQEQDLAE-UONOGXRCSA-N 338.452 1.415 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 54679609 JGLAUUPZNIHJSF-GFCCVEGCSA-N 337.401 1.955 0 40 EDAB CCn1cc(NC(=O)C(=O)NCc2coc3ccccc23)ccc1=O 76018276 DXENQAZJDAKZAB-UHFFFAOYSA-N 339.351 1.869 0 40 EDAB O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccn1)C2)NC[C@@H]1CCCO1 100162300 GHPILHUAJPAVBH-OAGGEKHMSA-N 345.443 1.191 0 40 EDAB O=C(CCCNC(=O)c1cccs1)NCCNC(=O)c1ccco1 24836956 IFKSFPWWPCQBAJ-UHFFFAOYSA-N 349.412 1.397 0 40 EDAB Cc1cc(CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)no1 25136792 AUCLNGRJXMKOHL-UHFFFAOYSA-N 349.412 1.577 0 40 EDAB CN1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC1=O 56250627 OECUHBWKAREBSN-ZDUSSCGKSA-N 334.391 1.468 0 40 EDAB CC(C)c1ocnc1CSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 104345464 VTSTVTNVWARADR-UHFFFAOYSA-N 335.389 1.364 0 40 EDAB O=C(Cn1nnc2ccccc21)NCC(=O)N1CCCc2ccccc21 57270901 KGDKHBGXMXAKLR-UHFFFAOYSA-N 349.394 1.527 0 40 EDAB COc1ccccc1N1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 57289579 OXPRJHJCWVSFPI-MRXNPFEDSA-N 331.416 1.355 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[C@H]2CCCCN2C1 108093958 GPBOVNOZHADSEL-KSZLIROESA-N 342.439 1.987 0 40 EDAB O=C(NCCN1CCOCC1)c1cn2c3c(cccc3c1=O)CCC2 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NC(=O)c1ccc(NC(=O)CCN2C(=O)COc3ccccc32)cc1 8074410 DJUVRIRKIFAIIT-UHFFFAOYSA-N 339.351 1.540 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)c1cccc(S(N)(=O)=O)c1 48305283 HPRGOGKWCFNJDG-UHFFFAOYSA-N 349.412 1.446 0 40 EDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCCCC2)c1C 3587555 BDNIEIRONQHQFG-UHFFFAOYSA-N 336.388 1.978 0 40 EDAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 4065464 VDMMKTLDWTWYTG-HNNXBMFYSA-N 348.355 1.623 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC(=O)N[C@H](C)c3ccco3)CC2)n1 69385961 CPKRFFYLCSOWBE-OLZOCXBDSA-N 347.419 1.527 0 40 EDAB Cc1noc([C@@H](C)N2CCN([C@@H](C)C(=O)Nc3cc(C)on3)CC2)n1 69376659 WMYSVTJLWXQROU-NWDGAFQWSA-N 348.407 1.380 0 40 EDAB Cc1cc(NC(=O)CCN2C(=O)N[C@@](C)(c3ccc(C)o3)C2=O)no1 69393171 JNVWOJSKXOQLEM-INIZCTEOSA-N 346.343 1.680 0 40 EDAB CCN1CCN(c2ncc3c(=O)n(Cc4ccco4)ccc3n2)CC1 39404020 GMJOYYVNPQEQAZ-UHFFFAOYSA-N 339.399 1.575 0 40 EDAB COc1ccccc1Nc1nc(N)nc(CSc2ncn[nH]2)n1 6275328 RZMQFSMLRYHTML-UHFFFAOYSA-N 330.377 1.616 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3nnnn3-c3ccccc3)CCO2)c1 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345.422 1.927 0 40 EDAB C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3ccc[nH]3)CC2)C1 66420948 MRSVDGDFHZEXLM-GJZGRUSLSA-N 332.448 1.467 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)c1 6848518 UQIMEASCXKPTFK-LBPRGKRZSA-N 349.364 1.503 0 40 EDAB O=C([C@H]1CCCN1S(=O)(=O)C1CCCC1)N1CCSCC1 66936827 VPADUCLTDZLGDR-CYBMUJFWSA-N 332.491 1.299 0 40 EDAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCN(CCO)CC1 69976786 YGCBDOVDVXJLJV-AWEZNQCLSA-N 339.867 1.469 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 7137082 NGHOBNSJZOSXFQ-IUODEOHRSA-N 329.400 1.775 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc2nsnc12 19078048 GNLGXGJOJVTMLH-UHFFFAOYSA-N 338.348 1.926 0 40 EDAB CN(CCN1CCCC1=O)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 78771356 WEDGSPPKENCWSL-HNNXBMFYSA-N 347.463 1.466 0 40 EDAB O=C(CCC(=O)N1CC[C@H](Cc2ccncc2)C1)N1CCOCC1 96007951 CKCIEZONJLGVGG-MRXNPFEDSA-N 331.416 1.112 0 40 EDAB C[C@H]1C[C@@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CC(=O)N1 96003979 SJUDYZGOAKHIFE-DZGCQCFKSA-N 335.448 1.152 0 40 EDAB C[C@H](N)c1ccc2c(c1)N(CC(=O)N1CCCCCC1)C(=O)CO2 19768062 SRWCZPXJDUMJLC-ZDUSSCGKSA-N 331.416 1.834 0 40 EDAB COCCC(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F 97081670 VREQLVJFOZVGRY-CYBMUJFWSA-N 330.306 1.741 0 40 EDAB C[C@@H](NCC1CCN(CCO)CC1)C(=O)N1CCc2ccccc2C1 72267439 BSEWKPIJCKQWID-MRXNPFEDSA-N 345.487 1.254 0 40 EDAB Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)N2CCOCC2)o1 96499984 AGWLYHJRRKZZHL-OAHLLOKOSA-N 328.372 1.930 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)[C@H]2CCOC2)cc1 71886512 XIUFYUFAPWGWKH-ZDUSSCGKSA-N 339.457 1.911 0 40 EDAB CN(C)Cc1cccc(CCNC(=O)c2ccc(C(N)=O)cc2)c1 71896224 ONOLSINMDHQMDB-UHFFFAOYSA-N 325.412 1.820 0 40 EDAB Cc1ccc(C2(CNC(=O)c3nccnc3N)CCOCC2)cc1 71890867 LOTSVNHOYPXMCH-UHFFFAOYSA-N 326.400 1.845 0 40 EDAB COc1ccc(OCCNc2cc(N3CCC[C@@H]3CO)ncn2)cc1 72276025 IPHCNQGXLOBHHJ-CQSZACIVSA-N 344.415 1.937 0 40 EDAB Cc1ccc2nc(CN3Cc4ccccc4C[C@@H]3C(N)=O)cc(=O)n2c1 71834777 SIGZKTPDCTUJML-QGZVFWFLSA-N 348.406 1.415 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(-n3cccc3)c(F)c2)CC1 71871524 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0 40 EDAB COCCN(CC(=O)N1C[C@@H](C)OCC1(C)C)C(=O)OC(C)(C)C 95459609 FCCJXEVGEIJPMZ-CYBMUJFWSA-N 344.452 1.896 0 40 EDAB CC(C)N1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 95941553 ZMGOFVDERWVJHJ-SFHVURJKSA-N 332.492 1.432 0 40 EDAB O=C(CCn1ccccc1=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75118018 SGDSQOVZVFSCSC-UHFFFAOYSA-N 327.262 1.584 0 40 EDAB COC(=O)Nc1cccc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)c1 75140509 VQONIMUYZSDRFA-CQSZACIVSA-N 343.387 1.607 0 40 EDAB O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC(Cc2nn[nH]n2)CC1 1548804139 GGWRVGFNOWKZQX-OAHLLOKOSA-N 340.387 1.498 0 40 EDAB CCS(=O)(=O)NCCN1CCC[C@@H]1Cc1ccccc1OC 68816653 UZHAUUFYUQKUOI-OAHLLOKOSA-N 326.462 1.641 0 40 EDAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 37867458 LWDAHNBEEPVMJF-ASZJLXIDSA-N 343.379 1.928 0 40 EDAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NC[C@@H]1CCCO1 409201290 LFTOCKJOMJBUEP-ZWIPKHHJSA-N 336.369 1.611 0 40 EDAB O=C(CCCn1cnnn1)NCCn1cnc2cc(Cl)ccc21 524734090 VLCXCVXFKRTSCS-UHFFFAOYSA-N 333.783 1.273 0 40 EDAB CCc1nc(CN2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)no1 78778059 PDVBNPBQUNVVOG-OAHLLOKOSA-N 342.399 1.280 0 40 EDAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(N(C)C)cc1 35999908 ZWIFWWZXULZSPI-VJANTYMQSA-N 331.412 1.970 0 40 EDAB Cc1cc([C@H](O)CNS(=O)(=O)c2cn(C(C)C)cn2)c(C)o1 1565519900 RSRCCLKOUOOIFB-CYBMUJFWSA-N 327.406 1.686 0 40 EDAB O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cccc(F)c1 38367360 CJFSKCSVJPJKCA-HNNXBMFYSA-N 335.379 1.087 0 40 EDAB COCCN1[C@H](C)CN(C(=O)c2ccccc2-n2ccnn2)C[C@H]1C 183740539 XNTICIYCKYEGGK-HUUCEWRRSA-N 343.431 1.449 0 40 EDAB Cc1cc(N2CCCC2)nc2sc3c(=O)n(CC(N)=O)cnc3c12 71283458 SIETWPSAIMMURY-UHFFFAOYSA-N 343.412 1.400 0 40 EDAB COc1cccc(NS(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)c1 74936351 RAGUPPRVLVOQJL-UHFFFAOYSA-N 348.380 1.851 0 40 EDAB CS(=O)(=O)NCc1nc(-c2ccc(N3CCCCC3)nc2)no1 78774508 SHUFJHYCLGZHJU-UHFFFAOYSA-N 337.405 1.171 0 40 EDAB C[C@H]1CN(C(=O)[C@@H](C)S(=O)(=O)c2ncccc2Cl)C[C@@H](C)O1 78556393 IUBUIUOHOLGJBQ-OUAUKWLOSA-N 346.836 1.533 0 40 EDAB O=C([C@H]1Cc2ccccc2CO1)N1CC[C@@H](Oc2cnccn2)C1 225796020 CFFIETNXENUHNC-HZPDHXFCSA-N 325.368 1.598 0 40 EDAB COc1ccc([C@H](NS(C)(=O)=O)C(=O)O)cc1Br 568084498 NPURBVCDDZXJEQ-VIFPVBQESA-N 338.179 1.133 0 40 EDAB CNC(=O)C[C@H](NC(=O)C[C@H](N)Cc1ccccc1)c1ccccc1 568741815 IOKMZOYZWRSLNF-MSOLQXFVSA-N 339.439 1.940 0 40 EDAB O=C(c1ccc(Br)o1)N1CC[C@H](N2C(=O)COC2=O)C1 225702088 ZKINDSAWKFQBRU-ZETCQYMHSA-N 343.133 1.235 0 40 EDAB O=S(=O)(Cc1cccc(F)c1)N1CC[C@H](Oc2cccnn2)C1 225419502 NBAYLUSUDZZUNS-AWEZNQCLSA-N 337.376 1.599 0 40 EDAB NC(=O)COc1cccc(-c2nn3c(C(F)(F)F)nnc3s2)c1 226298160 YPWVQBIBSUVCJM-UHFFFAOYSA-N 343.290 1.736 0 40 EDAB O=C(Cn1cc(COc2ccccc2F)nn1)NCCc1ccco1 227168143 MMXTWHALKUHBTA-UHFFFAOYSA-N 344.346 1.948 0 40 EDAB CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(C1)CN(Cc1nccs1)C2 514288592 DBAVUADTHZHUSW-HUUCEWRRSA-N 336.505 1.104 0 40 EDAB biogenic,in-vitro Cc1nc(C)c(C(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)s1 571644525 ALBHZFZEKKDIAL-JTQLQIEISA-N 335.389 1.527 0 40 EDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccccc2C)c1=O 222658212 OCYSDHPTNIAJEV-UHFFFAOYSA-N 331.372 1.374 0 40 EDAB Cc1ccc(CC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCCN3)C2)cc1 225482131 FSQGMEDSSNWLFI-ZWKOTPCHSA-N 343.471 1.644 0 40 EDAB O[C@H](CN1CCc2ccccc2C1)Cn1nnc(-c2cccs2)n1 193404508 WXEKNUBUULJXEH-OAHLLOKOSA-N 341.440 1.821 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)OC)c1 225407334 XPBZGWHGNSOARN-UHFFFAOYSA-N 348.380 1.634 0 40 EDAB O=C(c1cc[nH]n1)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 190218049 KJTFHSMPYAWVGH-UHFFFAOYSA-N 346.338 1.633 0 40 EDAB O=C(c1ccsc1)N1C[C@H]2OCC(=O)N(Cc3ccncc3)[C@@H]2C1 96081626 GXUGJZSPBTVZTP-HUUCEWRRSA-N 343.408 1.395 0 40 EDAB O=C(O)c1cnc(N2CCOCC2)nc1COc1ccc(CO)cc1 96182425 KOFIAMSSKBXSEE-UHFFFAOYSA-N 345.355 1.083 0 40 EDAB CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@@H]21 96185704 MVROLNSUNNXGBU-VYDXJSESSA-N 341.415 1.363 0 40 EDAB CCN(C)c1ccnc([C@@H]2COCCN2C(=O)Cc2ccco2)n1 96217807 AZFYDRHDWZFOQE-AWEZNQCLSA-N 330.388 1.668 0 40 EDAB 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Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccn(C)n1 330061782 AHHJMPLTZCKJFK-GDBMZVCRSA-N 346.456 1.725 0 40 EDAB Cc1ccc(CN2CC[C@H]3O[C@@H](COCC(=O)N(C)C)CC[C@H]32)o1 96056400 NCWUZGHIRGPCOX-BRWVUGGUSA-N 336.432 1.815 0 40 EDAB COCCN1CCC2(CC1)C[C@@H](NC(=O)COC)c1ccccc1O2 96242762 GSRXQHNZBHYHKZ-MRXNPFEDSA-N 348.443 1.754 0 40 EDAB Cn1cnn(Cc2cc3c(cc2Br)OCCCO3)c1=O 96494597 QOGQNAGSDFNZKT-UHFFFAOYSA-N 340.177 1.554 0 40 EDAB CC(C)(C)OC(=O)N1[C@H](CNCC(=O)NCC2CC2)COC1(C)C 583651607 PJPDBWUSYUVJMT-CYBMUJFWSA-N 341.452 1.474 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 583616333 GUFJZOAFIAMIGU-NWANDNLSSA-N 343.420 1.685 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)c1ccc(OCc2nnnn2C)cc1 96101281 RWIQLZBAUXTFOB-UHFFFAOYSA-N 341.375 1.392 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2nnc(C3CC3)n2C2CC2)C1 583619126 NPJMKXZSCUZFHA-KGLIPLIRSA-N 343.435 1.879 0 40 EDAB O=C(N1CCCC1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96048540 FRFBWVLOPWYUKB-RHSMWYFYSA-N 349.410 1.867 0 40 EDAB CO[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)[C@H]1O 257221263 DOEUHUIUOFBHEJ-DAXOMENPSA-N 333.363 1.874 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CCC(C)(c2nccs2)CC1 257205453 AZDDYDPCZVCUQB-UHFFFAOYSA-N 340.474 1.927 0 40 EDAB Cc1ccnc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257319478 VSSYMLIDINOBOZ-LLVKDONJSA-N 325.415 1.609 0 40 EDAB Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@H](Oc4cccnc4)[C@H]3C2)c1 257256522 KLVOSGFARCNNPQ-SNPRPXQTSA-N 348.428 1.293 0 40 EDAB CC(C)Cc1cc(C(=O)NC[C@]2(O)CCN(c3ccccn3)C2)on1 257257632 KQMFKLGTCGCRNM-GOSISDBHSA-N 344.415 1.639 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257262284 LKVMPNZVSIJCSR-INIZCTEOSA-N 329.404 1.467 0 40 EDAB CCn1cc(C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)c(C(C)C)n1 585085257 WDKQNYISIMXQNL-GDBMZVCRSA-N 334.464 1.962 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257295359 QXZZPSSATNNPHU-CYBMUJFWSA-N 332.360 1.238 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@]2(N)CN)cc1 252513927 AXBGAARAMWESOR-GVDBMIGSSA-N 334.416 1.730 0 40 EDAB COC1(OC)CCOC[C@H]1NC(=O)c1cc(F)c(F)c(F)c1F 585127825 KPKHVTQTFWWDCQ-SECBINFHSA-N 337.269 1.751 0 40 EDAB CCOCCC(=O)Nc1ccc(Br)cc1-c1nn[nH]n1 585128854 PGGIYWYGRYGQRD-UHFFFAOYSA-N 340.181 1.994 0 40 EDAB O=C(CCn1cncn1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 253629981 ISYJQJAQHRNXSH-CQSZACIVSA-N 328.420 1.607 0 40 EDAB Cn1nc(C(=O)N[C@H]2CC=CCC2)c(O)c1C(=O)N[C@H]1CC=CCC1 252509151 YDIGSFALVUYTOY-STQMWFEESA-N 344.415 1.803 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(c2ccnc(C)n2)CC1 257271652 MZFDTWUPHJDMES-UHFFFAOYSA-N 326.404 1.595 0 40 EDAB O=C(N[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O)c1cnc(C2CC2)nc1 257205456 AZDMOJQXDGIZQS-BZUAXINKSA-N 340.383 1.450 0 40 EDAB CCOC(=O)C(C)(C)n1cc(NC(=O)N2C[C@H](C)O[C@H](C)C2)cn1 268903031 PFVWHWNITDKDEK-TXEJJXNPSA-N 338.408 1.822 0 40 EDAB O=C(O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@@H]2CCOC2)c1 262719126 HLKYZUFVXFGHDM-HIFRSBDPSA-N 346.383 1.741 0 40 EDAB C[C@@H]1CC[C@H](CCC(=O)NCc2cccc(N3CCOCC3)n2)O1 274772928 JBWQCSOUONRPGZ-GDBMZVCRSA-N 333.432 1.882 0 40 EDAB COC(=O)c1oc(S(=O)(=O)N2CC[C@@H](C)[C@H](CO)C2)cc1C 598623466 AQZUFCHOWKTFNF-KOLCDFICSA-N 331.390 1.014 0 40 EDAB CCNc1ncc(S(=O)(=O)NCCCCO)cc1C(F)(F)F 1615046180 BMESQSIGIBLQND-UHFFFAOYSA-N 341.355 1.583 0 40 EDAB Cc1noc(Cc2ccccc2NC(=O)c2ccc(=O)n(C)n2)n1 96097029 OFSAWRSUFHWMED-UHFFFAOYSA-N 325.328 1.315 0 40 EDAB CCc1ncnc(N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)c1F 650773700 DBICPVYSDUUKIM-JTQLQIEISA-N 336.367 1.080 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 575405447 SMWBDORXGMGXKS-HOTGVXAUSA-N 332.400 1.395 0 40 EDAB Cc1cc(CC(=O)NC[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)on1 585285927 UHSJCTMEWJPQCV-XHBKTUGNSA-N 348.374 1.999 0 40 EDAB O=C(C1CC(O)C1)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 585100962 MGTHMVMRCRLIPM-LEHRNKBSSA-N 329.400 1.198 0 40 EDAB CN1CCC[C@H](NC(=O)c2ccnn2C)[C@@H]1Cc1cccc(F)c1 585280788 PABJIHHELIEXMX-RDJZCZTQSA-N 330.407 1.995 0 40 EDAB Cc1ccc(CC(=O)N2C[C@H](C(=O)NC3CC3)[C@H]3OCC[C@@H]32)cc1 585109571 XGZWFGSVBRWKHP-XYJFISCASA-N 328.412 1.432 0 40 EDAB Cc1cc(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)no1 585268918 DPOYJMNTCNVUMJ-KRWDZBQOSA-N 336.363 1.764 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)[nH]n1 54132011 RTVFSFFINYMQLO-UHFFFAOYSA-N 326.400 1.611 0 40 EDAB CCOc1ccccc1OC1CCN(c2ccc3nnnn3n2)CC1 57140931 CWHBBZOROIKUMB-UHFFFAOYSA-N 340.387 1.966 0 40 EDAB COCCN(Cc1ccccn1)C(=O)c1ccnc(-n2ccnc2)c1 57249083 ZLBIHMFJCSRRFQ-UHFFFAOYSA-N 337.383 1.951 0 40 EDAB CC(C)[C@@H](C(=O)NCc1cccnc1N(C)C)N1C[C@H](C)O[C@H](C)C1 58290275 HILJEMNSEXOFBA-UXLLHSPISA-N 348.491 1.898 0 40 EDAB CCCN(CC(=O)NC)S(=O)(=O)c1cnn(-c2ccccc2)c1 58282385 XCKHCIKAULTMEN-UHFFFAOYSA-N 336.417 1.019 0 40 EDAB O=C(NCCOc1ccc(F)cc1)c1sccc1-n1cnnn1 58095534 HGJLVZKCMOCELR-UHFFFAOYSA-N 333.348 1.672 0 40 EDAB CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C(=O)NC)cc1 69323534 JYRQWGWBHPRWAZ-BXUZGUMPSA-N 349.456 1.932 0 40 EDAB C[C@H](N[C@H]1CCCN(Cc2noc(C3CC3)n2)C1)C(=O)NC1CC1 69624786 FYRTWLRMXBWHDZ-FZMZJTMJSA-N 333.436 1.168 0 40 EDAB COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CCC(=O)N1 69920402 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0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(-c2nncn2C)c1 19581130 WFTQAQIYFPWLGP-UHFFFAOYSA-N 333.373 1.888 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1 22999702 JFAZEEWMWVLGOR-UHFFFAOYSA-N 325.434 1.265 0 40 EDAB Cc1cc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)no1 225790220 UTLLGNXYGSAIQT-UHFFFAOYSA-N 327.388 1.614 0 40 EDAB COc1ccc2oc(C(=O)N(C)C[C@@H]3COC[C@@H](O)[C@H]3O)c(C)c2c1 643550989 CGWQFJGWZNBYID-XFJVYGCCSA-N 349.383 1.190 0 40 EDAB Cc1ccc2[nH]c([C@H]3CCCN3C(=O)CCn3cnnn3)nc2c1 12221585 WWMAMRGERIDMIW-CQSZACIVSA-N 325.376 1.612 0 40 EDAB Cc1c(Cl)cccc1NC(=O)C[C@@H](C(=O)O)N1CCN(C)CC1 22466445 HCAAXHBRWLBYAF-AWEZNQCLSA-N 339.823 1.678 0 40 EDAB CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)c1cncc(O)c1 583621533 YCKZRFZJGCXSTO-GJZGRUSLSA-N 345.378 1.262 0 40 EDAB Cc1c[nH]nc1[C@H]1CCCN(C2CCN(S(C)(=O)=O)CC2)C1 1848356444 HMZBUQSZNMROHP-ZDUSSCGKSA-N 326.466 1.322 0 40 EDAB CC(C)[C@H](Cn1nccn1)NC(=O)Cn1c(=O)oc2ccccc21 238878499 OQSRAIIFDDZFMW-LBPRGKRZSA-N 329.360 1.027 0 40 EDAB COc1nn(C)cc1C(=O)NCc1nc(-c2cc(C3CC3)on2)no1 238966785 ZALJZTNCBUBHJP-UHFFFAOYSA-N 344.331 1.274 0 40 EDAB CCOc1ccccc1S(=O)(=O)N1CCn2nc3c(c2C1)CCC3 245171805 XVSUVURCEPJHNW-UHFFFAOYSA-N 347.440 1.975 0 40 EDAB CC(C)n1nccc1C(=O)N1CCO[C@@]2(CCCCN(C)C2=O)C1 2037985436 JUUXTWGYFKEGPB-KRWDZBQOSA-N 334.420 1.318 0 40 EDAB Cn1c(C(=O)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cccc1=O 1565542628 RZVOJTRBVCERCH-JKSUJKDBSA-N 338.411 1.269 0 40 EDAB Cc1ncnc(C(=O)N2CCc3ncnc(NC4CC4)c3CC2)c1C 1565544402 JVAAROMPMUGMDH-UHFFFAOYSA-N 338.415 1.699 0 40 EDAB COC(=O)n1c(=O)oc2ccc(S(=O)(=O)N3CCCCC3)cc21 104478 XFLZVHGAOJCIQU-UHFFFAOYSA-N 340.357 1.384 0 40 EDAB COc1ccc(OC)c(NC(=O)CN2C(=O)CS[C@H](C)C2=O)c1 2711161 SOXBTGREDPVQQJ-SECBINFHSA-N 338.385 1.133 0 40 EDAB CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3ccccc3)cnc21 5976820 JPBDPANUZAOXJH-UHFFFAOYSA-N 325.372 1.987 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1N1CCCC1=O 10220942 RQEWIABYBGNPCI-AWEZNQCLSA-N 345.399 1.356 0 40 EDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2nccs2)CC1 2055713269 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40 EDAB O=C([C@@H]1CC=CCC1)N1CCN(c2nnnn2-c2ccccc2)CC1 36762984 ACEJDGWYJZSOGR-OAHLLOKOSA-N 338.415 1.667 0 40 EDAB COc1cccc(-n2nnnc2SCC(=O)N2CCCCC2)c1 415248 DEFNKHNJWXKXAF-UHFFFAOYSA-N 333.417 1.776 0 40 EDAB O=C1CCCN2N=C(SCC(=O)NCc3ccco3)SC2=N1 425842 ZWGWMFOVKICERY-UHFFFAOYSA-N 338.414 1.625 0 40 EDAB O=C1NC[C@@H]2CN(Cc3cnc(-c4cccs4)s3)CCN2C1=O 91866573 FOFICPBAQVAEIW-SNVBAGLBSA-N 348.453 1.014 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCCC[C@H]1Cn1cncn1 69488647 MRGRORMVRPUDSO-AWEZNQCLSA-N 331.424 1.122 0 40 EDAB CCSc1ccc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cn1 69436051 MWHFAVWWPXHBPM-UHFFFAOYSA-N 342.380 1.976 0 40 EDAB Cc1noc(C)c1CNc1cc(C(=O)NCCC(N)=O)ccc1F 69705293 QNTFZHIGWFKALV-UHFFFAOYSA-N 334.351 1.648 0 40 EDAB CCn1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)O 352826 RSSNWMKPCLRMEP-UHFFFAOYSA-N 337.357 1.782 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O 2646980 RGBHSFBRFKIRLW-DIFFPNOSSA-N 341.371 1.250 0 40 EDAB CC(C)OCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 6049742 CYQUGQHVDZRFPN-CYBMUJFWSA-N 328.434 1.285 0 40 EDAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)NC(=O)NCc1ccco1 102251749 PTMQSPMAUCWKPK-AVGNSLFASA-N 334.372 1.975 0 40 EDAB C[C@H](NC(=O)Cc1cccc(OC(F)F)c1)C(=O)N1CCOCC1 69778389 POBJLHMSCLGNCW-NSHDSACASA-N 342.342 1.194 0 40 EDAB O=C1NC[C@H](C(=O)NCc2ccccc2COCc2ccccc2)N1 89836712 XTKQJMVJZHRZMF-QGZVFWFLSA-N 339.395 1.701 0 40 EDAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(C(C)=O)CC3)c2c1 20716396 PDPQZHMEOGVVNQ-MRXNPFEDSA-N 331.372 1.466 0 40 EDAB CC(C)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 21872500 BRJQBMDRQMJTRW-JTQLQIEISA-N 334.388 1.794 0 40 EDAB C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)c1nncn1C 46963870 JRNLKFMKLWNVIV-OAHLLOKOSA-N 342.447 1.794 0 40 EDAB O=C(N[C@H]1CCc2c(Cl)cccc21)N1CCS(=O)(=O)CC1 89800162 YCUGGQHZMKOEAC-ZDUSSCGKSA-N 328.821 1.767 0 40 EDAB CNC(=O)C1CCN(Cc2nc(-c3ccccc3OC)no2)CC1 12334067 DFDAAOOWVRMROS-UHFFFAOYSA-N 330.388 1.703 0 40 EDAB Cc1cccc(OCC(=O)NCCn2ncc3c2c(C)nn3C)c1 57279758 GIUXKACAXMZQRL-UHFFFAOYSA-N 327.388 1.582 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C1 53894009 NUVPXZMHECOMBX-QMMMGPOBSA-N 336.189 1.878 0 40 EDAB O=c1cc(CN2CCN(Cc3ccco3)CC2)nc2sccn12 22923093 FIYMRFMHMVYYLT-UHFFFAOYSA-N 330.413 1.667 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2C)CC1)C(C)C 23624729 KNPKODGFBREZBO-SFHVURJKSA-N 331.460 1.800 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)N[C@H](C(N)=O)c2ccccc2)c1 42876617 MHKBVBAPVZPCOW-GUYCJALGSA-N 342.395 1.943 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N(Cc1ccco1)Cc1ccco1 42872275 VDLINYXFLPHQKN-GFCCVEGCSA-N 338.385 1.772 0 40 EDAB C[C@@H]1CN(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C[C@@H](C)O1 106065689 OYCBALYILMTRKI-FMKPAKJESA-N 343.493 1.013 0 40 EDAB NS(=O)(=O)c1cccc(CNC(=O)c2n[nH]c3ccccc23)c1 24700227 NGUHPXVNMCMMST-UHFFFAOYSA-N 330.369 1.140 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)N1CCN(CC2CC2)CC1 55669391 VLGONIDTSKPMFW-UHFFFAOYSA-N 340.427 1.341 0 40 EDAB CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(OC)c2ccccc12 106894327 XPCDDKONAGENRP-AWEZNQCLSA-N 348.424 1.748 0 40 EDAB O=S(=O)(CCc1ccccc1)Cc1nnnn1-c1ccccc1 43642643 UMGJTLCDKLHRNZ-UHFFFAOYSA-N 328.397 1.820 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2cc(Br)ccc2F)CCO1 43700578 IELSPDHBTWDMAV-JTQLQIEISA-N 332.125 1.514 0 40 EDAB O[C@H](COc1cccc(Br)c1)CN1CCC[C@@H](O)C1 3366094 FKJRGJFTTGBHLP-OLZOCXBDSA-N 330.222 1.646 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCc3cc(F)ccc32)cc1 57019495 FDFKKQRDFGGAHK-HNNXBMFYSA-N 334.372 1.890 0 40 EDAB COc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1OC 44719261 QMPAHVPOWWMIQY-VIFPVBQESA-N 347.820 1.522 0 40 EDAB NS(=O)(=O)N1CCC(C(=O)NC2(c3ccccc3)CCC2)CC1 58268510 XMCQTMCQPZRMRI-UHFFFAOYSA-N 337.445 1.098 0 40 EDAB O=C(CN1CSCC1=O)N1CCN(c2ccc(Cl)cc2)CC1 58217492 PSVYMBKTZPDCGE-UHFFFAOYSA-N 339.848 1.522 0 40 EDAB CSCC[C@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)O 2130980 CVZIQNSKKCTTJB-ZDUSSCGKSA-N 349.412 1.109 0 40 EDAB Cc1csc(CNC(=O)N2CCN(Cc3ccncc3)CC2)n1 44967488 FZQAYRNLHIRQLZ-UHFFFAOYSA-N 331.445 1.874 0 40 EDAB Cc1oc(C(=O)NCc2ccoc2)cc1S(=O)(=O)N1CCCC1 44977868 YMOXIMCRUOKNEW-UHFFFAOYSA-N 338.385 1.896 0 40 EDAB C[C@@H](NC(=O)NCCCNS(C)(=O)=O)c1ccc(F)c(F)c1 45138627 JOZAPKSWRWKHRP-SECBINFHSA-N 335.376 1.264 0 40 EDAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1ccncc1 48343317 YZRVLVYVVOPYET-UHFFFAOYSA-N 338.371 1.411 0 40 EDAB CS(=O)(=O)c1ccc(NCc2ccoc2)c(S(C)(=O)=O)c1 48374597 SQYUMIWHDKSEME-UHFFFAOYSA-N 329.399 1.699 0 40 EDAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cn2ccnc2)cc1 10809801 JSCKSZUXBAYZEM-UHFFFAOYSA-N 336.417 1.551 0 40 EDAB COc1ccc2c(C)c(CCC(=O)N3CCNC(=O)C3)c(=O)oc2c1 12902904 GXWHFBHEFOSSOW-UHFFFAOYSA-N 344.367 1.001 0 40 EDAB biogenic Cc1cc(C)n2nc(C)c(C(=O)N3c4ccccc4C[C@H]3C(N)=O)c2n1 69527938 WRPNFIZWOQIWNF-HNNXBMFYSA-N 349.394 1.711 0 40 EDAB NC(=O)COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 17358378 XPRPQJGIEDNKEQ-UHFFFAOYSA-N 339.395 1.513 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCCCS(=O)(=O)c1ccccc1)CC2 69661407 FKNINVCBURGLHP-AWEZNQCLSA-N 348.472 1.609 0 40 EDAB CC[C@@H](C)NC(=O)CN1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 13624135 UGASYKQKIINMKP-CJNGLKHVSA-N 343.427 1.943 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cncn1)NCCOc1ccc(F)cc1 69629796 AEODRDWKMRLWKN-HNNXBMFYSA-N 347.394 1.077 0 40 EDAB N=C(N)NC1=NC(=O)[C@H](CC(=O)Nc2ccccc2Cl)S1 13728012 XQCXEJTUVUMVDU-QMMMGPOBSA-N 325.781 1.150 0 40 EDAB CN(Cc1cnnn1C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 92069278 UKEHGUCHRPWORN-LBPRGKRZSA-N 326.809 1.429 0 40 EDAB O=C(CN1CCOc2cc(F)ccc21)N1CCN(C(=O)C2CC2)CC1 69972343 RMTKOHQWSVMCCE-UHFFFAOYSA-N 347.390 1.105 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3cccn3)C2)c1 65609498 KOCNLMPWPANMHP-CQSZACIVSA-N 333.413 1.764 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)c4ccccc4F)CC3)ncnc21 14731158 NZVFCUZGOCXEDL-UHFFFAOYSA-N 340.362 1.465 0 40 EDAB CCc1nn2c(=O)cc(COC(=O)c3cc(C(C)=O)c[nH]3)nc2s1 22004411 ROUGUQFXRDKJEW-UHFFFAOYSA-N 346.368 1.601 0 40 EDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1 15298866 SGDHCIXUCRZEKR-AWEZNQCLSA-N 344.864 1.465 0 40 EDAB Cc1ccc(-c2noc(CN3C(=O)C(=O)N(CC(C)C)C3=O)n2)cc1 8849064 NOPFOCUTZKGCNB-UHFFFAOYSA-N 342.355 1.992 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 8884111 SXHJMYNUQIGHBL-LLVKDONJSA-N 341.820 1.952 0 40 EDAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 8935949 FHGBNXZFHQTDLC-CYBMUJFWSA-N 325.390 1.008 0 40 EDAB CC(C)CCNC(=O)CNC(=O)N1CCN(c2ccccc2)CC1 71280400 BRRJZINIQPGHRP-UHFFFAOYSA-N 332.448 1.681 0 40 EDAB COc1ccccc1Nc1ncccc1C(=O)N[C@@H]1CCCNC1=O 69332735 XDDDVWLJKMMMRI-CQSZACIVSA-N 340.383 1.842 0 40 EDAB CC(C)(C)c1cc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)on1 69391734 WKXNOSFRIMAJSF-ZDUSSCGKSA-N 347.419 1.508 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCCC[C@@H]1Cn1cncn1 71876242 FWGGQABSLDRRPB-LSDHHAIUSA-N 345.451 1.510 0 40 EDAB CS(=O)(=O)c1nc(C(=O)NC[C@H]2CCCCO2)c2ccccn12 71833104 JTVKCZPFIFQQLE-LLVKDONJSA-N 337.401 1.037 0 40 EDAB Cc1cc(N[C@H]2CCCN(Cc3noc(C)n3)C2)n2ncnc2n1 71859534 OAVRQBSQJQQEHJ-LBPRGKRZSA-N 328.380 1.201 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1 71849906 NRFUCDUGDNIZPF-CYBMUJFWSA-N 333.388 1.425 0 40 EDAB C[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NCc1ccco1 71839217 XHMPGPVBVIKVCP-LLVKDONJSA-N 339.351 1.556 0 40 EDAB COc1ccc(NC(=O)NC2CCC(O)CC2)cc1-n1nnnc1C 71855038 LKGSBMUQKVHYEM-UHFFFAOYSA-N 346.391 1.404 0 40 EDAB Cc1noc([C@H](C)OC(=O)CN2CCN(Cc3ccccc3)CC2)n1 71921290 QOGLGOMKBSZWBB-AWEZNQCLSA-N 344.415 1.800 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)NNc1ncnc3[nH]cnc13)C2 71916738 AMIKDLVTNGJARZ-SNVBAGLBSA-N 340.343 1.056 0 40 EDAB Cc1cc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)c(C)s1 97012662 KPRMXDGACYSJTG-ZDUSSCGKSA-N 341.458 1.861 0 40 EDAB Cc1c(I)cccc1C(=O)NCCOC(N)=O 97046242 LLYIEFUIONNMPN-UHFFFAOYSA-N 348.140 1.425 0 40 EDAB Cc1nccn1-c1ccc(CNS(=O)(=O)N2CCC[C@@H](C)C2)cn1 72272674 ZHGVONZKWSOAIR-CYBMUJFWSA-N 349.460 1.642 0 40 EDAB CCOc1ccccc1CNC(=O)NC[C@@H](c1cnn(C)c1)N(C)C 72287694 IJXSGFWQEVOXLH-INIZCTEOSA-N 345.447 1.921 0 40 EDAB Cc1nsc(NCc2cccnc2N2CCC(C(N)=O)CC2)n1 84286909 LKBKZFAMURQQFN-UHFFFAOYSA-N 332.433 1.555 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(CCc2ccncc2)C1 84281237 JSDAJQPLQKNGPB-MRXNPFEDSA-N 329.404 1.439 0 40 EDAB C[S@](=O)C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1ccccc1 76093824 ARIVCXOOQNZLIV-VOIUYBSRSA-N 344.436 1.713 0 40 EDAB Cc1nn(-c2ccc(F)cc2)c2[nH]nc(NC(=O)[C@H]3CCC(=O)N3)c12 95397207 CTJLMYFSKHTULJ-LLVKDONJSA-N 342.334 1.413 0 40 EDAB O=C(C[C@H]1COCCN1C(=O)c1[nH]nc2c1CCCC2)c1ccco1 95418251 GQWDEZCKWWMPMR-LBPRGKRZSA-N 343.383 1.996 0 40 EDAB C[C@H]1C[C@@H](NC(=O)c2cc(S(C)(=O)=O)ccc2F)CN1C1CC1 95439786 DKOLGDLEXMLBCX-WDEREUQCSA-N 340.420 1.584 0 40 EDAB O=C(NCc1cccc(C(=O)N2CCCC2)c1)c1nccn2ccnc12 95404110 MAXUOCKFHBQACT-UHFFFAOYSA-N 349.394 1.895 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nnc(C2CC2)s1 78384171 YCCVOOVYSNXUGM-UHFFFAOYSA-N 327.373 1.572 0 40 EDAB Cc1ccc(C(C)(C)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 98010417 ZESKAOIPNFQJAB-INIZCTEOSA-N 340.427 1.928 0 40 EDAB C[C@H](c1cccc(F)c1)N1CCN(C(=O)[C@]2(O)CCSC2)CC1 95985832 GMJGJFLWTJSTGL-DYVFJYSZSA-N 338.448 1.899 0 40 EDAB O=C(NC[C@@H](O)Cc1ccccc1)[C@@H]1CCCN1c1nccs1 95966548 ZWUBBJTVOKVXRI-GJZGRUSLSA-N 331.441 1.832 0 40 EDAB COCCN(CC(=O)O)C(=O)[C@H](C)OCc1cccc(OC)c1 95969820 VUPRZTSQOVEDIS-LBPRGKRZSA-N 325.361 1.160 0 40 EDAB CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2CCc3ccc(F)cc32)C1 95966426 MEIMNWVMJQOFKD-ZFWWWQNUSA-N 334.395 1.916 0 40 EDAB COC[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc(F)cc23)CCO1 74303801 BIZXKQHAQOQAMA-AWEZNQCLSA-N 335.379 1.906 0 40 EDAB CC1CCC(N(C[C@H]2CCCO2)C(=O)N[C@@H]2CCN(C)C2=O)CC1 74376415 MGUZOCKGKUAROP-QDIHITRGSA-N 337.464 1.986 0 40 EDAB Cn1c(C(=O)NCc2n[nH]c(=O)[nH]2)cc2cc(C(F)(F)F)ccc21 75092935 YPZSPDVWBGUBNF-UHFFFAOYSA-N 339.277 1.539 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1 89639109 HTWBDSUYRPMRDN-OAHLLOKOSA-N 326.462 1.366 0 40 EDAB CCN(C)[C@@H](C(=O)N[C@@H]1Cc2cccnc2NC1=O)c1ccccc1 1548800996 JTPRUNZXNWSNAL-HZPDHXFCSA-N 338.411 1.754 0 40 EDAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)Cc1ccccc1 128055338 JPTRRKJUCNUXOU-UHFFFAOYSA-N 346.452 1.807 0 40 EDAB Cc1cc(CS(=O)(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)on1 547565536 NLBCGAIXBBEBFM-CYBMUJFWSA-N 342.348 1.237 0 40 EDAB CC(C)COC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccccc1F 409003599 TUYQVFFAVYGGEO-LBPRGKRZSA-N 325.340 1.390 0 40 EDAB O=C(O)[C@@H]1C[C@H](O)CN1C(=O)COc1ccc(Cl)cc1Cl 37450056 WMCQRHDBSKYLHY-WPRPVWTQSA-N 334.155 1.419 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@]1(COC)C(=O)O 218447383 LTQODGRBUJRCGA-OUCADQQQSA-N 332.805 1.958 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2cnc3nc(C)cc(C)n23)C1 520421727 GBLHMEURXZBNLN-CABCVRRESA-N 341.419 1.735 0 40 EDAB Cc1ccc(S(=O)(=O)N=S2(=O)CCN(CCF)CC2)cc1 521395259 LRJGVIUQQIOAAU-UHFFFAOYSA-N 334.438 1.437 0 40 EDAB Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CCCC(=O)N2)cc1F 1027954257 ISQPKBIBXQDFRN-NVXWUHKLSA-N 347.434 1.883 0 40 EDAB CN(C)C[C@]1(O)CCN(C(=O)Cn2c(C3CC3)nc3ccccc32)C1 72148877 KKWQUUWECUSHGY-LJQANCHMSA-N 342.443 1.439 0 40 EDAB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccco2)CC3)C[C@H](C)O1 72335460 XZXNHUPHSJLHJB-STQMWFEESA-N 344.415 1.947 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 31402424 RQNYHMMWLZTJGF-RYUDHWBXSA-N 348.353 1.719 0 40 EDAB COCC(=O)N1CCC[C@@H](c2cncc(-c3ccc(CO)cc3)n2)C1 72359538 XPWFUUBGLIOYHR-MRXNPFEDSA-N 341.411 1.988 0 40 EDAB Cc1cc(C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)nn1C 79048689 GRKMRZLREMBQGX-HNNXBMFYSA-N 338.371 1.561 0 40 EDAB COCC(=O)N1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 72380466 BYYGZPNZWJBWFQ-OAHLLOKOSA-N 334.420 1.782 0 40 EDAB CCOc1ncccc1CNC(=O)c1[nH]ncc1Br 78926505 QXZJZDXATCTDAO-UHFFFAOYSA-N 325.166 1.896 0 40 EDAB CN1CCN(C[C@H](CC(=O)Nc2c(F)cccc2F)C(=O)O)CC1 71280063 OWQBJMXKOCVPMB-NSHDSACASA-N 341.358 1.242 0 40 EDAB COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)NCCc1cnccn1)C2 225460928 WMPHROSAYAKSRR-CXAGYDPISA-N 332.404 1.394 0 40 EDAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1ncc(C=O)cn1 49468304 WOJJJIZKLDFTTN-UHFFFAOYSA-N 339.804 1.904 0 40 EDAB O=C1N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 40166559 FGWICQUBDWIKGF-ZJUUUORDSA-N 331.191 1.144 0 40 EDAB CN1CCN(C(=O)CC(C)(C)Cc2c[n+]([O-])c3ccccc3n2)CC1 46089316 UFONUUKASNJYSM-UHFFFAOYSA-N 342.443 1.601 0 40 EDAB COC(=O)CCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1 41097305 HVZOKLZWKQDESH-UHFFFAOYSA-N 333.344 1.357 0 40 EDAB CS(=O)(=O)NCCNCc1cc(Br)c(Cl)s1 191691645 MUBSGKFODSJFDY-UHFFFAOYSA-N 347.687 1.803 0 40 EDAB C[C@H](C(=O)NCc1nnc2c(C(F)(F)F)cccn12)n1cccn1 225809286 FDWATKXARPHWPS-SECBINFHSA-N 338.293 1.822 0 40 EDAB O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1ccc2[nH]ccc2c1 225801964 WBALBZRKMGZQDX-UHFFFAOYSA-N 335.323 1.836 0 40 EDAB Cc1cc(O)nc([C@H](C)N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 192574939 SIWLJRRVOOTPTE-DOTOQJQBSA-N 342.443 1.903 0 40 EDAB COc1ccc(NC(=O)c2cc(N3CCOCC3)on2)c(OC)c1 224076617 CYNOFCDAOZKTHC-UHFFFAOYSA-N 333.344 1.781 0 40 EDAB CNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccccc2)c1 224765234 MQPJYDOBOUVDSS-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB C[S@@](=O)c1cccc(NC(=O)NCc2nnc3n2CCCC3)c1 95398410 WMSKGZMWVDNNIO-QHCPKHFHSA-N 333.417 1.674 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1ccccc1 581406980 INZNKYXDNMZCON-ZDUSSCGKSA-N 349.364 1.562 0 40 EDAB CC(C)N(C)C[C@@H]1CO[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 96051998 DBNNYZRQMQWHPH-QAPCUYQASA-N 336.432 1.868 0 40 EDAB CN(C)CC(=O)N1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 96040130 IVUZTXOXRJTESO-IEBWSBKVSA-N 347.459 1.558 0 40 EDAB Cn1cnc(-c2nc(C(=O)NC[C@@H]3CCCO3)c3ccccn23)c1 96154982 QXVHFTBKWNEFAX-LBPRGKRZSA-N 325.372 1.644 0 40 EDAB Cn1nnc2c1CCN(C(=O)c1ccccn1)[C@H]2COCC1CC1 96045286 PLCDEWPZFHCBQE-HNNXBMFYSA-N 327.388 1.376 0 40 EDAB Cc1cccc(CN2CCC(NC(=O)N[C@@H]3CCN(C)C3=O)CC2)c1 96415239 IAKUQNJKBOZOLJ-QGZVFWFLSA-N 344.459 1.489 0 40 EDAB COc1c(C(=O)NC[C@H]2CCCO2)nnn1Cc1ccc(C)cc1 96183365 FESWELHIRHFMRI-CQSZACIVSA-N 330.388 1.552 0 40 EDAB Cc1cccc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 96306487 OQXUIJDITHMLNC-UHFFFAOYSA-N 325.372 1.664 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)Cc1ccccc1CNC2=O 96161287 IXFVKVKXMOWKQQ-MRXNPFEDSA-N 328.412 1.504 0 40 EDAB CCn1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(C)cc2)n1 96181406 SYGOTQPXOVWAHG-DLBZAZTESA-N 342.399 1.748 0 40 EDAB NCCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc3ccccc3n1)CC2 91893540 UKKCGEKWNHQZAL-MOPGFXCFSA-N 341.455 1.926 0 40 EDAB O=S(=O)(NC[C@]12COC[C@H]1CN(Cc1cccs1)C2)C1CC1 96208814 LPWXOENSJPZOOI-DOMZBBRYSA-N 342.486 1.278 0 40 EDAB Cc1ccc(CN2CCc3ncnc(N4CCN(C)CC4)c3CC2)o1 96255673 XQUYHTZQDXJVHE-UHFFFAOYSA-N 341.459 1.731 0 40 EDAB CN(C)c1ncnc2c1CCN(Cc1ccc3c(c1)OCO3)CC2 96255389 DWTNPTYBNQCPJC-UHFFFAOYSA-N 326.400 1.872 0 40 EDAB CCC1=N[C@@]2(CC[C@@H]3CN(c4ncc(F)cn4)C[C@@H]32)C(=O)N1CC 96261605 IKJPOGBHISBYFZ-BTJLNZGRSA-N 331.395 1.871 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2cccs2)Cc2nnn(C)c21 96060694 DCVMFSJOJUEFPO-GFCCVEGCSA-N 349.460 1.081 0 40 EDAB Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2C(=O)c2ccco2)cn1 96200959 KOELXAJDIBLBNN-CVEARBPZSA-N 344.415 1.171 0 40 EDAB O=C(NCCS(=O)(=O)c1ccccc1)NC1Cc2ccccc2C1 97377436 CMFANXHTOQXDOR-UHFFFAOYSA-N 344.436 1.927 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3Cc2csc(C)n2)[nH]n1 96081318 AMJNHDMKVFPILQ-KBPBESRZSA-N 345.428 1.499 0 40 EDAB O=C(Cc1cccs1)N1C[C@@H]2OCCN(C[C@@H]3CCCO3)[C@@H]2C1 96246487 SLYIHXLODGLIEW-IMJJTQAJSA-N 336.457 1.381 0 40 EDAB O=C(c1cnccn1)N1CCC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 96222462 LENMKJGMVWUZSX-CRAIPNDOSA-N 340.383 1.714 0 40 EDAB COc1cc(C(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)ccc1Cl 583617844 YYJOQSJWQDSHRC-HNNXBMFYSA-N 336.779 1.591 0 40 EDAB Fc1cnc(N2CC3(C2)OCC[C@H]3COCC2CCOCC2)nc1 247529962 OJDSPFKEYXJWFY-AWEZNQCLSA-N 337.395 1.654 0 40 EDAB O=C(NC[C@H]1CCCO1)C1=NO[C@@]2(CCN(Cc3cccs3)C2)C1 247481509 JBVMSTKGWKDUET-DYVFJYSZSA-N 349.456 1.764 0 40 EDAB CCc1nnsc1C(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 257273258 NFWNHECDCNJSMO-INIZCTEOSA-N 347.444 1.209 0 40 EDAB Cc1cc(CC[C@@H]2CCCN2C(=O)Cn2nc(C)ccc2=O)ccn1 257230331 GBTWIWSBJVUHDY-KRWDZBQOSA-N 340.427 1.879 0 40 EDAB Cc1cc2nccc(C3CCN(C(=O)[C@H]4CC(=O)N(C)C4)CC3)n2n1 257225846 FIDJPNJDXOONLU-AWEZNQCLSA-N 341.415 1.222 0 40 EDAB COCCN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@@H]1c1cccc(OC)c1 257230918 GEMSWJNZSOWXSE-AEFFLSMTSA-N 346.427 1.900 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCO[C@H](CCc2ccncn2)C1 257342725 ZPWWNYITCPQGRO-OAHLLOKOSA-N 341.367 1.679 0 40 EDAB Cc1nc(O)cc([C@H]2CN(Cc3cccc(C(=O)O)c3)CCO2)n1 257244515 ILSMVSCUVFGFSZ-OAHLLOKOSA-N 329.356 1.762 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)Cn2cc(C)cn2)C1 257274083 NJKUDCSJSASUEK-CQSZACIVSA-N 328.420 1.505 0 40 EDAB COC(=O)[C@H]([C@H](C)O)N(C)C(=O)C[C@@H](C)Cc1cccc(F)c1 585089911 JTACOGZWZRQWSR-MKBNYLNASA-N 325.380 1.775 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)c1ccc2c(c1)OCCO2 253471960 GTOVZCWBNOVFRB-CYBMUJFWSA-N 331.372 1.272 0 40 EDAB CCN(CCS(C)(=O)=O)Cc1cnc(SC(F)(F)F)n1C 585116859 KIHZHHZJYAIAKN-UHFFFAOYSA-N 345.412 1.899 0 40 EDAB CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)[C@@H](C)CSC)C1 585130748 AZPGMENXPVQXOG-QWRGUYRKSA-N 325.434 1.901 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)CCc3cc(OC)no3)CCO2)n1 257292726 QMRXQADLUXAOOC-CQSZACIVSA-N 346.387 1.653 0 40 EDAB Cc1ccn(CCC(=O)N2CCOC[C@@H]2CCc2cnccn2)n1 257284795 PEJFTUUSOBWEHL-INIZCTEOSA-N 329.404 1.232 0 40 EDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@H](c2cnccn2)C1 257273986 NJBKLLVKFKPWAD-LBPRGKRZSA-N 335.367 1.733 0 40 EDAB C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CN1CCC[C@H](C(F)(F)F)C1=O 1615586523 OIAPELPWUVKXHY-FRRDWIJNSA-N 349.397 1.586 0 40 EDAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1cnccc1CO 1615589679 GCIBQTKJMVSSSS-UHFFFAOYSA-N 340.305 1.917 0 40 EDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1cc[nH]n1)C2=O 601678505 SCZVBQGKSXHYMK-UHFFFAOYSA-N 347.419 1.259 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N2CC(C3CS(=O)(=O)C3)C2)c(C)c1 606444598 IEMDKVWNUIUTTO-UHFFFAOYSA-N 343.470 1.277 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C2(N3CCOCC3)CCCC2)o1 678617005 IAJQEAAMIWVHLK-AWEZNQCLSA-N 342.461 1.900 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2cncn2[C@@H](C(=O)NCc2cccs2)C1 585096000 KCQLBTPMLOXMQZ-BYCMXARLSA-N 344.440 1.800 0 40 EDAB O=c1oc2cc(Cl)ccc2n1CN1CCN(c2ncccn2)CC1 57389652 XDBBVMRKPSBKOH-UHFFFAOYSA-N 345.790 1.818 0 40 EDAB CCN(CC)C(=O)N1CCN(Cc2noc(-c3ccoc3)n2)CC1 68806766 RCWGMVUJSSJIBP-UHFFFAOYSA-N 333.392 1.909 0 40 EDAB Cc1nc(C(=O)NCCS(C)(=O)=O)nn1-c1ccccc1Cl 64035098 RBUGKKPCNZBAAW-UHFFFAOYSA-N 342.808 1.004 0 40 EDAB COc1cc(C)cc(C(=O)NCCc2nnc3n2CCCCC3)c1O 69654455 DQMWJKRWAWYRPM-UHFFFAOYSA-N 344.415 2.000 0 40 EDAB COc1ccccc1[C@H](CNC(=O)N[C@@H](C)Cn1ccnc1)N(C)C 65404011 YMIVQUWDHXEIOS-HOCLYGCPSA-N 345.447 1.882 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H]1CCC[C@@]1(C)CO 95442308 LHLJNHDPIPABPO-HIFRSBDPSA-N 329.466 1.374 0 40 EDAB O=C1CNC(=O)N1[C@@H]1CCN(C(=O)C2(c3cccs3)CCCC2)C1 585331568 PGTZLVBAOANYJW-GFCCVEGCSA-N 347.440 1.713 0 40 EDAB C[C@@H]1Nc2ccnn2[C@H](C)[C@H]1CCC(=O)NC[C@H](C)N1CCOCC1 1616042112 JKXGOQLBHUVTNQ-JONQDZQNSA-N 349.479 1.491 0 40 EDAB CC1CCN(C(=O)[C@H]2C[C@@H](c3ccco3)NS(=O)(=O)N2C)CC1 12130059 SNSJQHWRMVMVRR-QWHCGFSZSA-N 341.433 1.118 0 40 EDAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccn(C)n2)n(C)c1 14899661 NUHUTUYIQFFKQM-UHFFFAOYSA-N 339.421 1.041 0 40 EDAB COc1ccccc1C(=O)OCc1cc(=O)n2nc(C)sc2n1 15733958 GDWIMAXPUATXJT-UHFFFAOYSA-N 331.353 1.825 0 40 EDAB CN(CCNS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1 16737620 UTQSRYSNHZHXKA-UHFFFAOYSA-N 333.413 1.200 0 40 EDAB c1cnc2ncnc(N3CCN(c4ccc5nccn5n4)CC3)c2c1 1888918161 MNDFJXBBFOVCLZ-UHFFFAOYSA-N 332.371 1.394 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(c2cnc3cc(Cl)ccc3n2)CCO1 1889108555 NVYDOFIAVHVWQV-AWEZNQCLSA-N 332.791 1.767 0 40 EDAB CC(=O)N[C@@H](C(=O)NC[C@@H](C)N1CCc2sccc2C1)C(C)C 31963604 SGKNURVNONANTK-MLGOLLRUSA-N 337.489 1.772 0 40 EDAB O=C(O)CN(CC1CC1)S(=O)(=O)c1ccc(Br)cc1 36885451 ZAPOEVGHARHUNH-UHFFFAOYSA-N 348.218 1.934 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC(Oc2cccnc2)C1 238971864 ZMJDAMFDFFBLJU-UHFFFAOYSA-N 332.381 1.468 0 40 EDAB CC(C)N1C[C@@]2(CCN(C(=O)Cc3cccc(F)c3)C2)COCC1=O 2037985635 QPLDGTIDCXMHBQ-IBGZPJMESA-N 348.418 1.854 0 40 EDAB O=C(CCc1ccc[nH]1)N1CCc2ncnc(NC3CC3)c2CC1 1565544831 SMOPPRPDVIMPLB-UHFFFAOYSA-N 325.416 1.939 0 40 EDAB CCOC(=O)N[C@@]1(C(F)(F)F)N=C(c2ccc(C)cc2)NC1=O 3623740 ZWJHZABEVGCCQZ-ZDUSSCGKSA-N 329.278 1.876 0 40 EDAB CCOC(=O)CN1C(=O)S[C@H](Nc2cccc(C(=O)O)c2)C1=O 4271913 QIEAQFXGXNJTBD-NSHDSACASA-N 338.341 1.381 0 40 EDAB CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1 4505247 XGNNTSVNXYKQEX-LLVKDONJSA-N 337.488 1.726 0 40 EDAB O=C1C[C@H](CNS(=O)(=O)c2cccnc2)CN1c1ccc(F)cc1 8808613 GHORJGMFMNLVIA-GFCCVEGCSA-N 349.387 1.552 0 40 EDAB O=C(N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1)c1cscn1 2055772646 IYTVXWHPMHXGSQ-SNVBAGLBSA-N 346.412 1.654 0 40 EDAB CCOC(=O)c1cn(C[C@@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1889133885 BCZHMIGBGNXAEK-CQSZACIVSA-N 328.372 1.504 0 40 EDAB O=c1ccc(C2CC2)nn1CC1CN(c2ncnc3c2CCCC3)C1 585602987 UTDCRKHRBZWALV-UHFFFAOYSA-N 337.427 1.926 0 40 EDAB CC[C@@H](C(=O)OC)n1cnc2c(nnn2-c2ccc(C)cc2)c1=O 4139879 GYXJVTQWKRIAAS-LBPRGKRZSA-N 327.344 1.410 0 40 EDAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1cccs1 75156019 JRCBHIFPCBONJO-GFCCVEGCSA-N 338.816 1.868 0 40 EDAB CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 40467420 BYXCOFGZIDTSNE-CYBMUJFWSA-N 327.377 1.434 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccccc2O)CC1 40497040 FGOPHEQKSCJXJB-HNNXBMFYSA-N 345.443 1.551 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCO[C@@H]1CCCC[C@H]1C 40536061 FNJIJOYFUVGTQX-BXUZGUMPSA-N 337.420 1.016 0 40 EDAB O=C(Cc1ccccc1)NCC(=O)Nc1nnc(C(F)(F)F)[nH]1 36744211 AXCTVRZPFWCNBF-UHFFFAOYSA-N 327.266 1.121 0 40 EDAB COc1ccc2c(c1OC)C(=O)N(c1ccc(O)c(C(=O)O)c1)C2=O 117185 LUYJSESNFZNISQ-UHFFFAOYSA-N 343.291 1.908 0 40 EDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(C)on2)cc1 11509704 FXWNIDHDWHDKQO-UHFFFAOYSA-N 331.328 1.203 0 40 EDAB CN(CC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1 69709912 GRPLZECCZWHCKV-CYBMUJFWSA-N 343.349 1.744 0 40 EDAB COc1ccccc1CCNC(=O)c1cnc2cc(C)ccn2c1=O 253434 XAAWBYYSXALPCU-UHFFFAOYSA-N 337.379 1.984 0 40 EDAB CCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C[C@]23C=C[C@H]1O3 2145414 HJQFIYOXJTWIPH-YKTARERQSA-N 343.379 1.935 0 40 EDAB biogenic O=C1NC(=O)[C@H](CCC(=O)OCc2c(Cl)ccc3cccnc23)N1 46238409 LSILZBFLLPECIA-LBPRGKRZSA-N 347.758 1.920 0 40 EDAB O=C(C1=NO[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12)c1ccccc1 3849213 KWDINHNINGTWLA-XJKSGUPXSA-N 338.294 1.953 0 40 EDAB C[C@@H]1C[C@H]1CNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F 32390709 YOVWIASKPMVYRN-SFYZADRCSA-N 341.293 1.360 0 40 EDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccccc1 8007175 DAOXAXKFJLIWHP-UHFFFAOYSA-N 335.363 1.697 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)COc2ccc(Br)cc2F)C1 41127373 HIYXASOHFHLTDS-MRVPVSSYSA-N 345.168 1.301 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(C[C@H](O)COCc2ccccc2F)C1=O 21559192 DCCFKBXZJLOBHK-GUYCJALGSA-N 336.363 1.424 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H](C(N)=O)C1 52550718 MNCNOCBJFRXZEB-WBVHZDCISA-N 341.411 1.675 0 40 EDAB O=C(CNS(=O)(=O)C1=Cc2ccccc2CC1)NCc1ccco1 52794814 MNTSPJHEUGPLIN-UHFFFAOYSA-N 346.408 1.803 0 40 EDAB COc1ccc(N[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 58271215 OOYSQFTZQMJUQY-AAEUAGOBSA-N 326.418 1.141 0 40 EDAB CC(C)[C@H](NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)C(=O)O 33520823 XHDJVSKQHDFYSX-NHYWBVRUSA-N 334.372 1.416 0 40 EDAB CCOc1ccc(CNc2nc3[nH]c4c(c(=O)n3n2)CCC4)cc1 100641644 DLOCLAMXOXNGEV-UHFFFAOYSA-N 325.372 1.917 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 42871773 KWNYCGSCWVAZJL-DZGCQCFKSA-N 338.429 1.729 0 40 EDAB COc1ccc(C(=O)C2CCN(CCS(C)(=O)=O)CC2)cc1 54886741 JSTYJIFWUJLVRX-UHFFFAOYSA-N 325.430 1.635 0 40 EDAB C[C@@H](NCC(=O)N1CCNC(=O)C1)c1ccc(Cl)cc1Cl 24226829 ASRIUZJDFIHESP-SECBINFHSA-N 330.215 1.602 0 40 EDAB O=C(NCCN1CCCCCC1=O)[C@H]1CCCN(c2cnccn2)C1 42922680 KSPAKQIAXUYVAX-HNNXBMFYSA-N 345.447 1.212 0 40 EDAB Cn1cc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cn1 24585023 ADLJRCSGXRKIAO-UHFFFAOYSA-N 334.401 1.385 0 40 EDAB C[C@H](O)CN1CCN(Cc2nccn2Cc2ccccc2)C[C@@H]1C 106840928 UMYTZLRDIHHKQO-IRXDYDNUSA-N 328.460 1.818 0 40 EDAB CCCc1nnc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)s1 43509179 NZXVSJGYVNQYBO-SECBINFHSA-N 332.451 1.243 0 40 EDAB COC(=O)c1ccc(OCCSCCC(=O)NC(N)=O)cc1 56262629 ZMPGRRBUGUXWRY-UHFFFAOYSA-N 326.374 1.170 0 40 EDAB CCOC(=S)SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 1764515 SZLWEAZXMAVJFO-UHFFFAOYSA-N 334.444 1.327 0 40 EDAB CCCN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 57475696 CZCBXAXDNVPXET-GFCCVEGCSA-N 325.386 1.455 0 40 EDAB CC1(C)NC(=O)N(CCN2CCO[C@H](c3ccc(F)cc3)C2)C1=O 26929291 XQVMORZUIFJWPM-AWEZNQCLSA-N 335.379 1.529 0 40 EDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2ccccc2F)n1 102015218 DNPPMFYBHFHIRV-XDQVBPFNSA-N 342.330 1.132 0 40 EDAB CC(=O)SCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)CSC(C)=O 22052446 CFZAYVVXCBEZLA-RYUDHWBXSA-N 346.474 1.089 0 40 EDAB in-vitro CN(C1CCCCC1)S(=O)(=O)N[C@H](C(N)=O)c1ccccc1 44771283 UVRHQGUPWTUJBO-AWEZNQCLSA-N 325.434 1.312 0 40 EDAB COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cn1 44891821 DNLRSUGWSRURTC-CQSZACIVSA-N 347.440 1.955 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)NC[C@H](C)N1CCOCC1 44935765 REXILAGLKQQTTB-AWEZNQCLSA-N 333.432 1.878 0 40 EDAB CC(C)[C@H](CNC(=O)NCc1cccnc1N(C)C)N1CCOCC1 44953622 HBOULGPFIKNJMR-INIZCTEOSA-N 349.479 1.304 0 40 EDAB C[C@@H]1CN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CCO1 44968789 XKYVRWQVTCYXOF-SNVBAGLBSA-N 333.310 1.953 0 40 EDAB CC(=O)N1CCCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1 44966735 PAPJLSOYFGBMGT-UHFFFAOYSA-N 333.388 1.222 0 40 EDAB COc1ccc([C@H](CNC(=O)[C@@H]2COCCO2)N2CCCCC2)cc1 48079763 VYBFHLCUOSGVGC-ROUUACIJSA-N 348.443 1.754 0 40 EDAB NC(=O)[C@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccc1 48126784 ADVORFCWRAKIMS-MRXNPFEDSA-N 338.342 1.968 0 40 EDAB CC[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)C(C)C 48274640 KFNLRCCEOCUELA-ZDUSSCGKSA-N 330.388 1.584 0 40 EDAB Cn1ccnc1COc1ccc(CN[C@@H]2CCCCNC2=O)cc1 48310674 GTCVNPLVJRWDKK-MRXNPFEDSA-N 328.416 1.757 0 40 EDAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)cnn1C 48332200 SYZUMOOZRRSOAC-OAHLLOKOSA-N 347.488 1.509 0 40 EDAB COc1ccccc1C(=O)NC(=O)COC(=O)c1cccc(F)c1 3405087 ULYKXFKWTBUXHW-UHFFFAOYSA-N 331.299 1.948 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](NCc1ccc(S(C)(=O)=O)cc1)CC2 69897619 RMKGGZZTEJBZRP-CQSZACIVSA-N 348.472 1.910 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)COc2cccc(C(N)=O)c2)c1 70007944 GWZPKUAAIKOTDD-HNNXBMFYSA-N 342.399 1.360 0 40 EDAB Cn1cc(S(=O)(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cn1 69352219 CYTTYJQKTGFZEB-NSHDSACASA-N 342.371 1.256 0 40 EDAB O=C(OCc1cc(=O)n2ccsc2n1)[C@H]1COc2ccccc2O1 6055122 IDLORXGFJJUXTQ-CYBMUJFWSA-N 344.348 1.639 0 40 EDAB c1csc([C@H](CNC[C@@H]2CNc3ccnn3C2)N2CCOCC2)c1 65474796 QWMJPATZEUNMEL-CABCVRRESA-N 347.488 1.649 0 40 EDAB Cc1ccc([C@H](CNC(=O)NC[C@@H](C)N(C)C)N2CCOCC2)o1 65444361 ZOTYOIWAJXEBAN-HIFRSBDPSA-N 338.452 1.211 0 40 EDAB NC(=O)C1CCN(c2ncccc2CNC(=O)[C@@H]2CC=CCC2)CC1 69520836 WFSWDTXYZZKFGM-OAHLLOKOSA-N 342.443 1.756 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@@H](N2CCCC2)C1 69589268 KWUUONNHFLNSAY-MRXNPFEDSA-N 340.431 1.427 0 40 EDAB COc1cccc(N2CC[C@@H](CNC(=O)NCC(=O)NC3CC3)C2)c1 69587138 BUAOIZQFCZCEOV-ZDUSSCGKSA-N 346.431 1.099 0 40 EDAB O=C1CCCN1Cc1nnc(SC[C@H]2COC3(CCCC3)O2)o1 65565871 DOXINITUSLDXKI-LLVKDONJSA-N 339.417 1.970 0 40 EDAB CC(=O)N1CCN(C(=O)c2[nH]nc(C(C)C)c2Br)CC1 65568322 VDXXMOBDVFDJSC-UHFFFAOYSA-N 343.225 1.600 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nc[nH]n1 6498376 NITHYHCKORHQOL-UHFFFAOYSA-N 349.416 1.540 0 40 EDAB CCCCS(=O)(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 69632105 JHWVGSIQUJCWCM-AWEZNQCLSA-N 345.509 1.181 0 40 EDAB COc1nc(C)ccc1CNC(=O)N1CCN(c2ncccn2)CC1 66127441 IAVNZUDXWPEDNG-UHFFFAOYSA-N 342.403 1.220 0 40 EDAB Cc1ccc2c(=O)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)oc2c1C 6811352 SOMGBDVOWFGCKS-LLVKDONJSA-N 335.381 1.327 0 40 EDAB COC(=O)c1ccc(NCN2C(=O)c3ccccc3S2(=O)=O)cc1 5879550 GMLMZPFZPUHBOK-UHFFFAOYSA-N 346.364 1.687 0 40 EDAB COc1ccc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2N)cc1 8992593 COKNNMOOUBMYIQ-UHFFFAOYSA-N 341.346 1.927 0 40 EDAB C[C@H](NC(=O)COC(=O)c1ccc(CNC(N)=O)cc1)c1ccco1 8718541 ZGDTWTWOYLJDPL-NSHDSACASA-N 345.355 1.482 0 40 EDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CN1CCSC1=O 7117623 TUCVUHGJDQTREY-GFCCVEGCSA-N 345.428 1.956 0 40 EDAB CC(=O)N1CCC(CNS(=O)(=O)c2cc(F)c(C)cc2F)CC1 97016084 GJGYOBGXUPFQGZ-UHFFFAOYSA-N 346.399 1.810 0 40 EDAB Cc1ccc(CNC(=O)NCCN2CCC(N(C)C)CC2)cc1F 96452311 KACKAHQQPFYHJF-UHFFFAOYSA-N 336.455 1.959 0 40 EDAB CCc1nnc(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc23)s1 72282615 SOGXYSLPLNKOQG-MRVPVSSYSA-N 344.400 1.734 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccc(N2CCCC2=O)cc1 71829751 UIRPTAHBDZXLJU-HIFRSBDPSA-N 343.427 1.468 0 40 EDAB CN(CC(N)=O)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 71829212 IPCBVMZWFQGGNK-QGZVFWFLSA-N 336.395 1.938 0 40 EDAB C[C@H](C(=O)N1CCOCC1)S(=O)(=O)c1nc(-c2ccccc2)c[nH]1 71843985 KKOVWEFWNPLUAP-GFCCVEGCSA-N 349.412 1.098 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)N1CCCC[C@H]1Cn1cccn1 71865293 JJKYIVLKRFSYTR-AWEZNQCLSA-N 327.450 1.335 0 40 EDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1cc(C(C)(C)C)n[nH]1 71856795 YPLIMYIELMLKEQ-UHFFFAOYSA-N 328.376 1.533 0 40 EDAB CN(Cc1cccs1)C(=O)CN[C@H]1CCCN(c2cccnn2)C1 71877467 WUNQQQIGSDXSNJ-AWEZNQCLSA-N 345.472 1.755 0 40 EDAB Cn1cc([C@@H]2[C@H](C(=O)O)CCC(=O)N2CCc2cccnc2)cn1 72275731 MYSQGQRWCWWCLM-GDBMZVCRSA-N 328.372 1.422 0 40 EDAB CN1C[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CC1=O 71908834 KBBUBLAFEFGKMO-DVOMOZLQSA-N 349.818 1.206 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N[C@H]2CCc3nccn3C2)n1 72278666 VYLYYWZOHGEIRG-NSHDSACASA-N 348.838 1.918 0 40 EDAB COC[C@H](C)NC(=O)NC1CCN(C(=O)c2ccccc2O)CC1 72289596 KPYVUSVDGLUIAH-LBPRGKRZSA-N 335.404 1.331 0 40 EDAB O=C(NCc1ccccc1N1CCN(C(=O)C2CC2)CC1)C1CC1 72283869 AAHALYJEGQACLV-UHFFFAOYSA-N 327.428 1.771 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3)nnn4C)C2)no1 72271748 JFDNEKUQNQNARV-GFCCVEGCSA-N 326.360 1.680 0 40 EDAB Cc1nc(CCNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cs1 84274636 XXOMVHMRQYDJIP-UHFFFAOYSA-N 342.424 1.980 0 40 EDAB Cc1csc2nc(Cn3c(-c4cccnc4)noc3=O)cc(=O)n12 84271452 GWEAYQPIUJYHAA-UHFFFAOYSA-N 341.352 1.324 0 40 EDAB CCn1cc(C(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)cn1 97164215 XCKINNIYVHWYRY-CYBMUJFWSA-N 335.429 1.804 0 40 EDAB CC(C)S(=O)(=O)CCCN1CCN(CC2CCOCC2)CC1 95412423 AKNGHAPSPLJLRA-UHFFFAOYSA-N 332.510 1.244 0 40 EDAB CN(Cc1nccn1C(F)F)[C@@H]1CCCN(c2cnn(C)c2)C1=O 98015974 JQFSKYYCDJWQOU-GFCCVEGCSA-N 338.362 1.639 0 40 EDAB CN(Cc1ncnn1C)C(=O)N[C@H]1CCCN(C2CCCCC2)C1 74165761 AKJITGPCMBPNQK-AWEZNQCLSA-N 334.468 1.754 0 40 EDAB CN1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 95958258 YMANLPVPHGQTPE-HUUCEWRRSA-N 335.835 1.998 0 40 EDAB Cc1[nH]c(C(=O)N2CCNC(=O)[C@@H]2C(C)C)c(C)c1C(=O)OC(C)C 78453403 YLVLXCZQWGJRQC-HNNXBMFYSA-N 349.431 1.793 0 40 EDAB O=C(NCCN1CCOCC1)c1ccc(Cn2cc(Cl)cn2)o1 27982182 CDFFDZCGZAAJJS-UHFFFAOYSA-N 338.795 1.240 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@H](O)COc2ccccc2)c(=O)[nH]1 75111343 TXFLJJNKPIQABM-AWEZNQCLSA-N 345.399 1.231 0 40 EDAB Cc1nc2c3ccccc3nc(N3CCO[C@H](c4cnn(C)c4)C3)n2n1 75106977 KIOAFXNJXHWAJQ-INIZCTEOSA-N 349.398 1.897 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCC[C@H](c2nncn2C)C1)c1ccco1 89761875 BGULFYILIZNRGF-UONOGXRCSA-N 346.435 1.600 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(Cc2ccncc2)C1 89741307 UVPUNUHHUOULJI-MRXNPFEDSA-N 326.448 1.794 0 40 EDAB COc1ccsc1S(=O)(=O)NC[C@H](c1ccco1)N(C)C 79107778 IORGJPYIHWEKMF-SNVBAGLBSA-N 330.431 1.931 0 40 EDAB O=C(N[C@@H](C(=O)O)[C@H](O)c1ccncc1)c1cc2c(s1)CCCC2 1548599757 MKIKHEXVYWKWOV-HUUCEWRRSA-N 346.408 1.939 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 173372398 LMXSDJACELUKHM-AWEZNQCLSA-N 330.436 1.972 0 40 EDAB COCCCNC(=O)c1cc(=O)c(OCc2ccccc2)cn1C 61721575 DDJZDCOZSKDYGU-UHFFFAOYSA-N 330.384 1.731 0 40 EDAB CC(C)c1ccc(OCCC(=O)NC2CCN(CC(N)=O)CC2)cc1 79122018 PFCMNNYQXCAPNH-UHFFFAOYSA-N 347.459 1.645 0 40 EDAB COc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1cnn(C)c1 79047001 VMKQDBDFEGBTMS-UHFFFAOYSA-N 343.431 1.428 0 40 EDAB COc1cccc(CNC(=O)COC(=O)c2ccc(C)nc2)c1OC 72330251 YDHRRAQISGKIHG-UHFFFAOYSA-N 344.367 1.880 0 40 EDAB Cc1cc(C)n(-c2ccc(=O)n([C@H](C)C(=O)Nc3cc(C)on3)n2)n1 70655929 XXKDODIEBDBHSX-GFCCVEGCSA-N 342.359 1.542 0 40 EDAB Cc1ccsc1[C@H](O)CNC(=O)C(=O)NCc1ccc(F)cc1 70635790 UMXHEARIMRGOLU-CYBMUJFWSA-N 336.388 1.662 0 40 EDAB C[C@@H](CNC(=O)N1CCO[C@@H](C)C1)CN(C)C(=O)OC(C)(C)C 78926347 ZDYGWMKLZDPWJE-STQMWFEESA-N 329.441 1.920 0 40 EDAB CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 72242220 KGCCZHPOSVJSCE-WBVHZDCISA-N 333.407 1.509 0 40 EDAB COc1cc(N2CCC(n3cc(C(C)(C)N)nn3)CC2)nc(OC)n1 48482652 ATPHHVHGIBQGGY-UHFFFAOYSA-N 347.423 1.121 0 40 EDAB CCn1ncnc1CNC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 526039646 BPFLSASXOOEQOX-UHFFFAOYSA-N 341.346 1.518 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOc3ccccc32)C1 222617714 RVNGLAKGIQDCEG-CYBMUJFWSA-N 338.429 1.474 0 40 EDAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2Cn3ncnc3N=C2O)cc1 40386612 YMFLPHARSADMSO-LLVKDONJSA-N 343.343 1.701 0 40 EDAB CCc1ocnc1C(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 96449536 RPHAPIVPDZTMCQ-AWEZNQCLSA-N 348.447 1.396 0 40 EDAB Cn1nccc1C(=O)N1CCOC[C@@H]1c1csc(N2CCCC2)n1 96218132 QSFKFYLXTGAMNJ-CQSZACIVSA-N 347.444 1.691 0 40 EDAB O=C(c1ccoc1)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 96048717 HFYZEBWXDAZTMY-QGZVFWFLSA-N 326.356 1.729 0 40 EDAB CS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 96098094 CVXWEQAGMAYJJK-LLVKDONJSA-N 337.319 1.844 0 40 EDAB Cc1cc(C(=O)N2CC[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)no1 96161422 XNHHVXBOTFZRTL-RDTXWAMCSA-N 325.368 1.729 0 40 EDAB Cn1cc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)Nc3cccnc3)C2)cn1 96253328 QPKZVWCCSLKWRT-OWCLPIDISA-N 327.388 1.043 0 40 EDAB Cc1ncsc1CN1CC[C@@]2(C[C@@H](NC(=O)N(C)C)CCO2)C1 96206198 OCUBSJIJNIPBIP-XJKSGUPXSA-N 338.477 1.846 0 40 EDAB Cc1c(CNC(=O)c2nnn(Cc3ccccc3)c2Cl)cnn1C 96183289 PQFLZCISEIEZFZ-UHFFFAOYSA-N 344.806 1.952 0 40 EDAB O=C(COc1ccc2c(c1)CCC2)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 583620394 FIPLIDGAIPSLEI-GUDVDZBRSA-N 345.439 1.943 0 40 EDAB CCn1nc(C)cc1C(=O)N1C[C@H]2OC[C@H](c3nc(C)no3)[C@H]2C1 96218995 MJDCBXQTYPZYOG-MBNYWOFBSA-N 331.376 1.157 0 40 EDAB CN(C)CC[C@@H]1CN(C(=O)COC2CCCC2)Cc2ccnn2C1 248089954 FJMKXZRMWYUIMY-OAHLLOKOSA-N 334.464 1.752 0 40 EDAB COc1cccc(C(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)c1 243341066 LSWQLCSWZZFPNY-QGZVFWFLSA-N 346.427 1.843 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 248015129 CUKMEJGCJFECBT-DYVFJYSZSA-N 327.388 1.315 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 248018992 LMYMIHBQUIVGBA-ILXRZTDVSA-N 346.493 1.512 0 40 EDAB O=C(Cn1cnc2ccccc21)N1CC[C@@H](n2cc(C3CC3)nn2)C1 244933149 CDQMTSIDSZVWPB-CQSZACIVSA-N 336.399 1.979 0 40 EDAB O=C(NCCn1ccc(-c2cnccn2)n1)NCc1cccs1 253473363 UKAYUPLZEBYWHY-UHFFFAOYSA-N 328.401 1.901 0 40 EDAB Cc1cc(C(=O)N2CCC(Cc3cnc(CN(C)C)cn3)CC2)no1 257332668 XYFFBSGEKQLMPF-UHFFFAOYSA-N 343.431 1.930 0 40 EDAB Cc1onc(N)c1S(=O)(=O)Nc1cccc(CCCC(=O)O)c1 585098031 HBMAENKMBKZXKI-UHFFFAOYSA-N 339.373 1.773 0 40 EDAB Cc1cccc(O[C@@H](C)C(=O)N2CC[C@@H](n3cc(C(=O)O)nn3)C2)c1 585088470 BZWRCAMQPRMMSV-QWHCGFSZSA-N 344.371 1.526 0 40 EDAB CC[C@H](NC(=O)N1CCC(O)(C(N)=O)CC1)c1ccc(Cl)cc1 585137624 KFEHISIYLAVLPZ-ZDUSSCGKSA-N 339.823 1.813 0 40 EDAB CNC(=O)c1cnn2c(C3CCN(c4ccccn4)CC3)ccnc12 257244437 ILHJXAAJFUXRIB-UHFFFAOYSA-N 336.399 1.868 0 40 EDAB CN(C)Cc1cn(-c2ccccc2C(=O)N2CCN(C)CC2)cn1 257333542 YBZHSPSPISOYRZ-UHFFFAOYSA-N 327.432 1.322 0 40 EDAB O=C(O)c1cnc(CC2CCN(S(=O)(=O)C3CC3)CC2)s1 1615571151 GBNBXVSHRJBSQA-UHFFFAOYSA-N 330.431 1.588 0 40 EDAB N[C@@H]1C[C@@H]2C[C@H](C(=O)N3CCn4c(cnc4C(F)(F)F)C3)C[C@H]21 1615544795 DBXLUSJHEOTIMO-GAIPPQHRSA-N 328.338 1.618 0 40 EDAB CS(=O)(=O)c1ccccc1CCNC(=O)[C@@H]1C[C@@H]2C[C@H](N)[C@@H]2C1 1615548188 RBHCHXIPBVBZPZ-TUVASFSCSA-N 336.457 1.122 0 40 EDAB COCCC1(C)CN(C(=O)c2sc3ncn(C)c(=O)c3c2C)C1 1615580360 ABSGJHYSVHTLFN-UHFFFAOYSA-N 335.429 1.802 0 40 EDAB CCC[C@@H](C)C(=O)N1CC(n2nncc2I)C1 1616037859 MZDJGOGRHIXZAW-MRVPVSSYSA-N 348.188 1.702 0 40 EDAB CO[C@H]1CN(C(C)=O)C[C@@H]1CC(=O)NCc1ccccc1OC(C)C 585279564 DBDGNAKISOUPLI-WMZOPIPTSA-N 348.443 1.973 0 40 EDAB C[C@]1(C(N)=O)CN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)CCO1 585283965 PYEOSBSKKZHDOS-QRQLOZEOSA-N 332.444 1.652 0 40 EDAB COCCc1cnc2n1CCN(C(=O)c1cccnc1OC)[C@@H]2C 585097548 LOJCHVMRCSKGDX-GFCCVEGCSA-N 330.388 1.693 0 40 EDAB O=C(NCC1CCOCC1)[C@H]1CN(C(=O)C2CCC2)Cc2cncn21 585095978 HRTYFXRMYPUIMA-MRXNPFEDSA-N 346.431 1.109 0 40 EDAB CC(C)Oc1ccc(/C=C/C(=O)NCCC(=O)N2CCOCC2)cc1 56677092 GLJQIUFAAAPANZ-VMPITWQZSA-N 346.427 1.852 0 40 EDAB CC(C)CCOc1ccc(NC(=O)[C@H]2CCc3nnn(C)c3C2)nn1 1548466477 TVMAKTUNRDPBOA-LBPRGKRZSA-N 344.419 1.774 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc3c2ccn3C)C1=O 69488251 QJUNXDVTTCWUFG-KRWDZBQOSA-N 328.372 1.837 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CCO1 69451862 XGBPNZOPLPQDKW-JKSUJKDBSA-N 346.427 1.681 0 40 EDAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCS(=O)(=O)CC1 78446743 GHBRTGBJZRUXSZ-VHSXEESVSA-N 328.356 1.548 0 40 EDAB O=C(O)[C@H]1COCCN1C(=O)COc1ccc(Br)cc1 88373567 MNGYFENWMPPOIB-LLVKDONJSA-N 344.161 1.140 0 40 EDAB CN(C[C@@H](O)C(F)(F)F)C(=O)c1[nH]c2ccccc2c1CC(=O)O 1606093922 NDJTUISCYZOYQS-LLVKDONJSA-N 344.289 1.790 0 40 EDAB COc1ccccc1CNC(=O)COC(=O)CN1CCCCCC1=O 5540279 VPDJTSPWIDTLOH-UHFFFAOYSA-N 348.399 1.257 0 40 EDAB CCN1CCc2c(sc(NC(=O)c3cc(C)on3)c2C(N)=O)C1 12229474 GNQLXDYFVXZWPO-UHFFFAOYSA-N 334.401 1.774 0 40 EDAB CN1N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 19169951 AVZCBDCICKUCMP-IKGGRYGDSA-N 337.379 1.437 0 40 EDAB CCOc1cc2c(cc1CN1C[C@@H]3C[C@@H](O)CN3C[C@@H]1C)OCO2 19532426 QQOYLYKRYYEXNW-AEGPPILISA-N 334.416 1.453 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCc1ccncc1 19576336 UXLGPTKVEBORFD-QMTMVMCOSA-N 335.363 1.785 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CC(C(=O)N2CCCCC2)C1 19747487 OIVKKHPUTGQYDN-UHFFFAOYSA-N 330.413 1.776 0 40 EDAB Cc1ccn(C[C@H](C)C(=O)N2CC(C(=O)N3CCCCCC3)C2)n1 19748714 YAYWSUOGZHYMBU-AWEZNQCLSA-N 332.448 1.689 0 40 EDAB CO[C@H](CNS(=O)(=O)c1cnn(C)c1)c1ccccc1Cl 153800852 KKYMNZPSKNVYOO-CYBMUJFWSA-N 329.809 1.740 0 40 EDAB Cc1noc(C)c1C(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 225505228 TYVOZEBDTAYGJQ-CYBMUJFWSA-N 345.403 1.831 0 40 EDAB NC(=O)[C@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)c2ccccc2O1 9253316 NTKSWLCHHIUEDF-GOSISDBHSA-N 336.391 1.997 0 40 EDAB CC(C)n1cc(CNC(=O)[C@H]2CCN(Cc3ccccc3)C2)nn1 565666188 KSQWTEYKCRBHQI-INIZCTEOSA-N 327.432 1.997 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)C1CN(c2cc(-n3cccn3)ncn2)C1 253472313 LIBMSHTXWKWZLV-ZFWWWQNUSA-N 340.431 1.793 0 40 EDAB Cn1cnc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1 1206213052 BZCUTZNSKBEFEP-UHFFFAOYSA-N 340.427 1.818 0 40 EDAB COc1nn(C)cc1C(=O)N1CC[C@@H](COc2ccc(C)nn2)C1 1888856559 VDWOLMKTBKLNEW-GFCCVEGCSA-N 331.376 1.068 0 40 EDAB CCN=c1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)[nH]1 1888857193 GNDIOEYZKZZPRC-UHFFFAOYSA-N 331.449 1.386 0 40 EDAB COc1ccc(-n2nnc3c(=O)n(-c4nccs4)cnc32)cc1 1888914131 ODLXDMLRIVCLFZ-UHFFFAOYSA-N 326.341 1.432 0 40 EDAB O=C([C@H]1CN(c2ccc(C(F)(F)F)cn2)CCO1)N1CCOCC1 1889096215 HKYJWMAZWVWIKZ-GFCCVEGCSA-N 345.321 1.164 0 40 EDAB CN1C[C@]2(CCN(C(=O)CCc3cccc(F)c3)C2)COCC1=O 2037985226 BXZZURUYNRXOEC-SFHVURJKSA-N 334.391 1.466 0 40 EDAB Cc1nccc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)n1 2086968311 QOVJQQLNOFWAKC-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB CC(C)N1CCn2nnc(CNC(=O)[C@]3(C)CC=CCC3)c2C1=O 1565556216 ZGDMUNZFUCRWAP-QGZVFWFLSA-N 331.420 1.505 0 40 EDAB CCOc1ccc(-n2nnnc2CNC(=O)Cc2ccccc2)cc1 9570506 JRLRSPGGBNDDHK-UHFFFAOYSA-N 337.383 1.920 0 40 EDAB COc1ccccc1C(=O)Nn1cnc2c(cnn2C(C)(C)C)c1=O 10250769 BDINYIUVAPZVDB-UHFFFAOYSA-N 341.371 1.741 0 40 EDAB O=C(NCC(F)(F)F)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055713708 AGZPPZXTKDDLAC-JTQLQIEISA-N 344.337 1.264 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)NC[C@@]2(O)CCCc3occc32)c1 1775965839 LTKJOPGCHZQDLW-KRWDZBQOSA-N 349.408 1.985 0 40 EDAB O=C(OCc1ccccc1)C1=NN[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 100165680 MINMHOUNGOUDNR-CABCVRRESA-N 349.346 1.247 0 40 EDAB O=S(=O)(NCCn1ccn2nccc12)c1ccc2c(c1)CCO2 206747924 PBEGSSDVHGKKST-UHFFFAOYSA-N 332.385 1.049 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)COC[C@H]2C[C@H]3CC[C@H]2C3)CC1 106219856 ACRQKMKKIIBDSE-NXOAAHMSSA-N 340.464 1.574 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@@H](Oc2ncccn2)C1 575611362 VWMJKCSWUBOJLV-CYBMUJFWSA-N 347.396 1.254 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CC(n2cc(C3CC3)nn2)C1 585149178 OIOVNSRDCBOFOM-UHFFFAOYSA-N 339.355 1.147 0 40 EDAB COC(=O)CSc1nnc(CNC(=O)c2c(F)cccc2F)o1 5107612 SFLXOZULXFYVJH-UHFFFAOYSA-N 343.311 1.543 0 40 EDAB O=C(NC[C@H]1CCCO1)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225783964 VGPOGGWKDMASBK-GFCCVEGCSA-N 346.362 1.080 0 40 EDAB Cc1ccnc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 40553331 UHDJKBXSCQMZCY-CQSZACIVSA-N 347.396 1.556 0 40 EDAB Cn1ncc2c(=O)[nH]c(COC(=O)CCSc3ccccc3)nc21 40556027 RJTGEVVZZFQCIH-UHFFFAOYSA-N 344.396 1.882 0 40 EDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(CC(=O)N2CCCC2)CC1 51234413 JXZMMRMPVYBUSK-ZDUSSCGKSA-N 333.436 1.248 0 40 EDAB CN(C(=O)CSc1nc2ccccc2c(=O)n1N)c1ccccc1 11518292 JFVUZZJBNZQAOI-UHFFFAOYSA-N 340.408 1.865 0 40 EDAB CC1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1 562019 VPGWIPAAUIHIPU-UHFFFAOYSA-N 338.473 1.749 0 40 EDAB O=C(COc1ccccc1P(=O)(O)O)N1CCc2ccccc21 8990732 LHYZIBKTFYKKFY-UHFFFAOYSA-N 333.280 1.458 0 40 EDAB COc1cc(/C=C/C(=O)N[C@H](C(N)=O)C(C)C)cc(Cl)c1OC 69740852 QNAJBRFSBJAQEA-GJBLVYBDSA-N 340.807 1.997 0 40 EDAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccn1 20720131 QFVZNRDAPQTHIG-FZMZJTMJSA-N 327.340 1.365 0 40 EDAB COc1ccc(NC(=O)CNCCCN2CCOCC2)cc1Cl 3342446 JHYFABVVXKCNOB-UHFFFAOYSA-N 341.839 1.599 0 40 EDAB Cc1ccc(C(=O)NCCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 101572134 VATWSURBPRAJTN-NZBPQXDJSA-N 344.436 1.984 0 40 EDAB Cc1ccoc1C(=O)NCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101572386 KTRTZLGTEMZCJT-XUXIUFHCSA-N 328.368 1.515 0 40 EDAB C[C@H]1C[C@H]1CNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F 32390711 YOVWIASKPMVYRN-YUMQZZPRSA-N 341.293 1.360 0 40 EDAB O=C(NCCN1CCCCCC1=O)c1cccnc1N1CCOCC1 32309487 RRQRYLCGYJSMNZ-UHFFFAOYSA-N 346.431 1.051 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(c2ccccc2)CC1 4151180 VQJTVMMIYKOCSX-QXSJWSMHSA-N 330.384 1.213 0 40 EDAB Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)NCCO 4847575 KUALBPUGLAKVRS-BQYQJAHWSA-N 331.397 1.826 0 40 EDAB Cc1nn(CCO)c(C)c1CN[C@H]1CCCN(c2cccnn2)C1 69740179 HJSCDHUZGZGAEF-HNNXBMFYSA-N 330.436 1.041 0 40 EDAB CCN1C[C@H](C(=O)N2CCCN(Cc3cscn3)CC2)CC1=O 69779024 FEHDYGPFMYJOFY-CYBMUJFWSA-N 336.461 1.046 0 40 EDAB NC(=O)C1CCN(C[C@H](O)COc2cccc3ccccc23)CC1 2626143 WHWNKFJZOVQBCX-INIZCTEOSA-N 328.412 1.777 0 40 EDAB CCOc1cc(CNC[C@H](C)O)ccc1OCC(=O)NC(C)(C)C 8254431 OZUJGZBCFXAQDC-ZDUSSCGKSA-N 338.448 1.849 0 40 EDAB C[C@H]1CCCN([C@@H](C)CNC(=O)CNC(=O)c2ccc(F)cc2)C1 32931423 FWZGZLZAIYVJRE-KBPBESRZSA-N 335.423 1.792 0 40 EDAB CC(C)(C)C(=O)Nc1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 32906476 SFUNUBVESYUXAF-UHFFFAOYSA-N 344.371 1.160 0 40 EDAB Cc1cccc(OCC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 46422190 ZGLSPZSNKQHWLG-OAHLLOKOSA-N 326.400 1.949 0 40 EDAB CN1CCO[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 91153410 UGRHKBPVWYPQTK-QLFBSQMISA-N 342.798 1.756 0 40 EDAB C[C@H](Sc1ccccc1)C(=O)N1CCN(S(C)(=O)=O)CC1 52855283 FYJKMPQTWWQLJD-LBPRGKRZSA-N 328.459 1.271 0 40 EDAB Cc1noc(C)c1C(=O)N1CCN(C(=O)c2c(C)noc2C)[C@@H](C)C1 2749309 VABOHSZIAIZHJD-VIFPVBQESA-N 346.387 1.883 0 40 EDAB CC(C)c1nn(C)cc1/C=c1\s/c(=C/C(=O)C(C)(C)C)[nH]c1=O 103499631 YHJKNMTVIVLJGY-FHGRNIPQSA-N 333.457 1.518 0 40 EDAB COc1cc(C(=O)N2CC[C@H](C(N)=O)C2)ccc1OC1CCCC1 53895231 KOZAVBUUAGKTRV-ZDUSSCGKSA-N 332.400 1.964 0 40 EDAB Cc1nn(C)c2ncc(CN[C@@H]3CCCN(c4cccnn4)C3)cc12 105802294 LJIARNLNLSPVJV-OAHLLOKOSA-N 337.431 1.825 0 40 EDAB CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1COCCO1 106765814 GBKFCOXRBLWXQK-BFHYXJOUSA-N 344.477 1.244 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)NC[C@H]3CCOC3)C2)c1 106763035 NPHPYHXJPGSNRR-HUUCEWRRSA-N 333.432 1.857 0 40 EDAB CN(Cc1ccccc1F)C(=O)CN1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 106762928 BCGNXEYMZMUWKA-JQFCIGGWSA-N 347.434 1.903 0 40 EDAB CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cc(C)on2)c1 25136527 ZFQWQTLMMNVBRW-UHFFFAOYSA-N 337.401 1.553 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)o1 43722724 IHOXDCAWMRBAHC-NEPJUHHUSA-N 329.422 1.372 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCc1cccc(N2CCOC2=O)c1 56964407 VUOZNBQDDGQOHS-DOMZBBRYSA-N 345.399 1.422 0 40 EDAB C[C@H](C(F)(F)F)S(=O)(=O)N(C)[C@@H](C(N)=O)c1cccc(F)c1 108394350 KHMHCNQLFGGDQY-GMSGAONNSA-N 342.314 1.565 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccco2)cc1C(N)=O 26880844 RUHXRXYGLVLVFC-JTQLQIEISA-N 338.385 1.297 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1CO 108495820 PNUWXTXWRPYJPP-ONGXEEELSA-N 338.351 1.882 0 40 EDAB Cc1ccccc1OCCN(C)[C@@H](C)c1nc(N)nc(N(C)C)n1 27374195 TZBKSKYWHLVTRS-ZDUSSCGKSA-N 330.436 1.900 0 40 EDAB O=C(Cc1ccccc1)NCCC(=O)N1CCC[C@@H]1C(=O)NC1CC1 44891242 UBDSSDWXDKJMPP-MRXNPFEDSA-N 343.427 1.005 0 40 EDAB CC(=O)N1CCCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 44890428 NNJNGKFXZKQYEU-UHFFFAOYSA-N 348.428 1.812 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(CCc2ccccc2Cl)c1 58225492 DHYPTXLVNUCSDS-UHFFFAOYSA-N 340.832 1.995 0 40 EDAB O=C(NCCn1ccnc1)NCC1(N2CCSCC2)CCCC1 44966616 UAKFBPWFRUFWNG-UHFFFAOYSA-N 337.493 1.544 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 58310963 IFZQEZZGNOWOTC-UXIGCNINSA-N 332.400 1.769 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 58305009 DEYHPDFNLKRQDS-INIZCTEOSA-N 335.452 1.157 0 40 EDAB C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 3303757 RJEHSSMFBLUNCU-LURJTMIESA-N 334.159 1.532 0 40 EDAB O=C(NCCC(=O)N1CCOCC1)c1nc(Cl)ccc1Cl 45067396 LWTXREXLTCJAPC-UHFFFAOYSA-N 332.187 1.367 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cc1OC 28057719 YVTORMHNHCZJCV-NWDGAFQWSA-N 329.418 1.810 0 40 EDAB COc1ccc(Cl)cc1NCC(=O)NCCNc1cnccn1 58441468 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C[C@H](O)c1ccc2c(c1)OCCOCCN(C)CCOCCO2 4134396 JKEUHRWYEDMOHX-AWEZNQCLSA-N 325.405 1.476 0 40 EDAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 39996346 MQOUWQWXOIFECL-DGCLKSJQSA-N 339.413 1.554 0 40 EDAB Cc1cccc([C@H]2CCCN2C(=O)CN2CCS(=O)(=O)CC2)c1 65472943 WCPNDLUAJKLILM-MRXNPFEDSA-N 336.457 1.389 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)C1CCN(c2ncccn2)CC1 65477796 ZPEJAQKRIOILSZ-CQSZACIVSA-N 326.404 1.021 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNC[C@H]1Cc2ccccc2O1 65520888 JHTPTOFJZMFHNO-MRXNPFEDSA-N 342.443 1.658 0 40 EDAB Cn1cc(CNCCN2CCCCCC2=O)c(-c2ccncc2)n1 65521207 SZWUDGVKTYVAQS-UHFFFAOYSA-N 327.432 1.974 0 40 EDAB CC(C)(CNC(=O)c1n[nH]c(=O)[nH]1)c1ccc(Br)cc1 69538917 FXWQOUWVSPESSI-UHFFFAOYSA-N 339.193 1.568 0 40 EDAB CCOc1ccc(CCC(=O)NC[C@@H](C)N2CCN(C)CC2)cc1 69665823 PXIAUBBSBHXIHT-MRXNPFEDSA-N 333.476 1.770 0 40 EDAB Cc1cccc(NC(=O)[C@H]2CCCN(C[C@H](O)Cn3cccn3)C2)n1 69844160 XWRAXAQCGCAXLH-HOTGVXAUSA-N 343.431 1.298 0 40 EDAB CC(C)[C@@H]1C(=O)NCCN1CC(=O)N(C)Cc1ccc(Cl)s1 66665792 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O=C(O)[C@@H]1CS[C@H](Cc2ccc(Br)cc2)C(=O)N1 62712055 BQFYRTNWDVLDCU-VHSXEESVSA-N 330.203 1.676 0 40 EDAB C[C@@H](CNC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccccc1 9724738 JKLBJBYGYAYKBH-AWEZNQCLSA-N 337.383 1.349 0 40 EDAB COc1ccc(C)cc1NC(=O)Cn1nnn(-c2cccs2)c1=O 9499888 ISEDXYTYVSCBGJ-UHFFFAOYSA-N 345.384 1.446 0 40 EDAB O=C(C1CC1)N1CCC(NC(=O)N2CCC[C@H]2CN2CCCC2)CC1 71857218 NKGMDZSSNBFPFG-KRWDZBQOSA-N 348.491 1.657 0 40 EDAB CN(Cc1cc(=O)n2ccccc2n1)[C@H]1CCN(c2ccccc2)C1=O 71893021 AKQVIZWYTKMPSG-KRWDZBQOSA-N 348.406 1.932 0 40 EDAB O=S(=O)(CCCN1CCn2c(nnc2C2CC2)C1)c1ccccc1 71880236 WGMKOSFOHUYVHO-UHFFFAOYSA-N 346.456 1.835 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc3c(c2)[nH]c(=O)n3C)c1 71869908 CQIIBPDBCKJHFY-AWEZNQCLSA-N 339.399 1.676 0 40 EDAB CC[C@H](Sc1ccccc1)C(=O)N[C@H](C)C(=O)N1CCOCC1 71894109 SFBOYVWJPXUARC-HIFRSBDPSA-N 336.457 1.921 0 40 EDAB NC(=O)CC1CCN(C(=O)NCc2ccccc2-n2cccn2)CC1 71837327 SIEPBWXBLIFSTL-UHFFFAOYSA-N 341.415 1.669 0 40 EDAB CS(=O)(=O)NCCSc1nnc(NC2CCCCC2)s1 71884062 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347.459 1.376 0 40 EDAB C[S@@](=O)c1ncn(C[C@H](O)Cc2ccccc2C(F)(F)F)n1 95438973 NLLAGSDPOAUXCA-STFLBKPXSA-N 333.335 1.638 0 40 EDAB CN(Cc1ccncc1)c1ccc(S(N)(=O)=O)c2cccnc12 95403052 YGOJWBYCIJELMI-UHFFFAOYSA-N 328.397 1.914 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)n1 76049624 XWEPWDMCSNUJNO-AWEZNQCLSA-N 347.419 1.382 0 40 EDAB Cc1ccc(OCCNC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1 95962747 AEUKRZMFHPEAPX-DOTOQJQBSA-N 345.443 1.884 0 40 EDAB CCc1cc(=O)[nH]c(-c2ccc(N3CCC[C@@H]3C(=O)N(C)C)nc2)n1 89282723 HCOGAFVATWPCIG-CQSZACIVSA-N 341.415 1.451 0 40 EDAB CCc1n[nH]c(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(C)c(F)c2)n1 86170654 MNQKPBVUBZWIGY-SECBINFHSA-N 340.380 1.616 0 40 EDAB CN(C(=O)Cn1cnnn1)[C@H](c1ccncc1)c1ccc(Cl)cc1 75093860 NCGLKGJQFOMLGP-INIZCTEOSA-N 342.790 1.970 0 40 EDAB O=C(C1CC1)N1CCCN(S(=O)(=O)c2ccc3[nH]cnc3c2)CC1 75017139 ZVJZFHCVBSUCEZ-UHFFFAOYSA-N 348.428 1.196 0 40 EDAB Cc1cc(OCC(=O)N2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)no1 78889166 DWXFCPPURWUFMY-NSHDSACASA-N 335.364 1.203 0 40 EDAB COC[C@](C)(CC(=O)OC)NCC(=O)N[C@H](c1ccccc1)C1CC1 75105688 YSNZAHWKECDJAS-MOPGFXCFSA-N 348.443 1.812 0 40 EDAB O=C(Cn1ccccc1=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 79022365 QWIKKLTVQIWAMD-AWEZNQCLSA-N 345.786 1.423 0 40 EDAB Cc1cnc(CNC(=O)[C@@H]2CN(CC3CC3)Cc3ncn(C)c32)cn1 306124739 BXZDCELRFBLVJR-OAHLLOKOSA-N 340.431 1.144 0 40 EDAB O=C(O)CN1C(=O)N/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 408594206 SWQFITKEIAQIBF-FPYGCLRLSA-N 331.111 1.676 0 40 EDAB CCc1cccc(C)c1NC(=O)CCc1c(C)[nH]c(=O)n(C)c1=O 35597101 KZBXDNNRLISYKU-UHFFFAOYSA-N 329.400 1.824 0 40 EDAB O=C(Nc1ccsc1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 548678486 ZWIGHIOYBWIMHE-LLVKDONJSA-N 328.401 2.509 0 40 EDAB CO[C@@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1 78986853 BXGVSMYBEUSXRS-NWDGAFQWSA-N 330.306 1.654 0 40 EDAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCO 217419916 PQOZLNGFLKNOBP-UHFFFAOYSA-N 330.406 1.258 0 40 EDAB C[C@H](NC(=O)C(=O)NC[C@H](O)Cc1ccccc1)c1ccccc1 70639372 ANMRZDNZTZOIGG-WMLDXEAASA-N 326.396 1.584 0 40 EDAB CSc1ccc(N2CCN(C(=O)Cc3c(C)noc3C)CC2)nn1 79089581 OXKKKGYOFYTBEX-UHFFFAOYSA-N 347.444 1.695 0 40 EDAB Cc1cc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)co1 189276519 BBAZXCBECSVYIU-UHFFFAOYSA-N 341.411 1.662 0 40 EDAB CS(=O)(=O)N1CCC[C@H](c2cncc(Nc3ncccn3)n2)C1 72354336 HRFXDLVKPKUXOC-NSHDSACASA-N 334.405 1.149 0 40 EDAB Cn1nc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)ccc1=O 38753265 PCWQTMOWVDPOST-UHFFFAOYSA-N 328.303 1.504 0 40 EDAB COC(=O)c1cc(NC(=O)Nc2cc(OC)n(C)n2)cc2[nH]ccc12 561387417 GFBIJWBEKSUNSS-UHFFFAOYSA-N 343.343 2.341 0 40 EDAB CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C[C@@H]3C(=O)O[C@H](C)[C@@H]3[C@@H]2C(=O)O)C1 504000837 IYJNBOZDJDFHBC-RTGVVSRASA-N 339.388 1.800 0 40 EDAB Cc1ccc(CNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)n1C 79042751 IURTYIYYSRCANV-ZDUSSCGKSA-N 339.399 1.288 0 40 EDAB COCCNc1cc([C@H]2CN(Cc3nccn3C)CCO2)nc(C)n1 72387770 SJTRIDLSGQWTHY-OAHLLOKOSA-N 346.435 1.150 0 40 EDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 218360943 ALTLFUHJDWQDSJ-SJORKVTESA-N 330.453 1.839 0 40 EDAB CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(COC)C(=O)O 218447300 LTQODGRBUJRCGA-MBNYWOFBSA-N 332.805 1.958 0 40 EDAB O=C(NCCCCO)c1nc2ccc(Br)cn2c1F 1568359650 CWQXEBRMXBCQFA-UHFFFAOYSA-N 330.157 1.738 0 40 EDAB Cn1ncc2c(N3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)ncnc21 337941379 FOEMYHGHIFYHER-HZPDHXFCSA-N 334.427 1.932 0 40 EDAB CN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1nccn1C(F)F 72765509 AHXYVWMMVBZQPJ-UHFFFAOYSA-N 349.341 1.695 0 40 EDAB CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224351856 VLVJIXUVWQSIOW-UHFFFAOYSA-N 326.418 1.376 0 40 EDAB COc1ccc(CNC(=O)c2c(O)n3cccc(C)c3nc2=O)cc1 136836848 SDBQVCDXCVITFG-UHFFFAOYSA-N 339.351 1.647 0 40 EDAB CCOC(=O)CN(CC(=O)Nc1ccsc1C(=O)OC)C(C)C 49980854 GPVOFMHVVPWJHS-UHFFFAOYSA-N 342.417 1.747 0 40 EDAB Cc1cn2nc(N[C@H]3CCN(C(=O)c4cc(C)oc4C)C3)ccc2n1 575010405 PBQMBBSQALLJHA-AWEZNQCLSA-N 339.399 2.574 0 40 EDAB CN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCCC[C@H]1O 225422655 NOHXACSZHFNDPE-HUUCEWRRSA-N 340.445 1.312 0 40 EDAB COC(=O)N(C)Cc1nc2ccccc2n1CC(=O)N1CCCC1 41146105 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40 EDAB Cc1ccc(N[C@@H]2CN(c3ncc(F)cn3)C[C@@H]3CCCO[C@@H]32)nn1 96065198 HHHDWZDURJJKAS-BJJXKVORSA-N 344.394 1.810 0 40 EDAB O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)C1CC1 96121565 VSZKQVVDDKXCBW-UHFFFAOYSA-N 337.367 1.863 0 40 EDAB O=C(COC[C@H]1CC[C@H]2[C@H](CCN2[C@@H]2CCOC2)O1)N1CCCC1 96186723 GHXNCEWHSDOZQG-NCOADZHNSA-N 338.448 1.036 0 40 EDAB O=C(Cc1ccccn1)N1C[C@@H]2OCCN(CC3CCCC3)[C@@H]2C1 96081804 GPIJWAYZAFACNO-MSOLQXFVSA-N 329.444 1.726 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 96193159 YAUMBDASZHVRMX-UHFFFAOYSA-N 346.836 1.592 0 40 EDAB O=C(Cc1ccccn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1ccccn1 96041871 HXZQETBSHQWBJL-FRQCXROJSA-N 339.395 1.857 0 40 EDAB Cn1c(CNc2cc(Cl)ccc2N2CCCC2)cc(=O)n(C)c1=O 96453430 AYKXMQDTASJISQ-UHFFFAOYSA-N 348.834 1.950 0 40 EDAB CCS(=O)(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 96239698 KKSAZTYOIUTDAM-ZDUSSCGKSA-N 346.403 1.364 0 40 EDAB Cn1ncc(N2CCC(OC[C@@H]3CCCCO3)CC2)c(Cl)c1=O 96455882 HXEJTHFFZHKOIF-ZDUSSCGKSA-N 341.839 1.988 0 40 EDAB Cn1cc(CN2CCC3(CC[C@H](C(=O)N4CCCO4)O3)CC2)cn1 96209911 WLMCZMLOLSBTDU-OAHLLOKOSA-N 334.420 1.098 0 40 EDAB Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)[C@H]2CCCO2)cs1 96186385 UAKKMFGXDYSWKO-RBSFLKMASA-N 349.456 1.722 0 40 EDAB O=c1ccc2c(n1CCN1CCCC1)CCN(C[C@@H]1CCOC1)CC2 96067776 LNOOLRQJEHKXDP-KRWDZBQOSA-N 345.487 1.381 0 40 EDAB O=C1NC2(CCN(C(=O)c3ccnnc3)CC2)C[C@H]1c1ccncc1 96199559 DAEOGUPLGWFHSH-HNNXBMFYSA-N 337.383 1.150 0 40 EDAB CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3ccc4c(c3)OCO4)C2)O1 248125017 OJPUKMKVQWLMGV-LPHOPBHVSA-N 348.443 1.727 0 40 EDAB Cn1cnc2c1[C@@H](C(=O)NC1CCCC1)CN(C1CCOCC1)C2 248071959 XUDQLLHGZUAHSV-HNNXBMFYSA-N 332.448 1.557 0 40 EDAB CN(C)CCN(CCC(=O)Nc1cccc(F)c1)CC(=O)N(C)C 585116023 DQRITRLVKWSAOU-UHFFFAOYSA-N 338.427 1.106 0 40 EDAB CC(C)(CNC(=O)CCCS(N)(=O)=O)c1ccccc1Cl 585135600 SEYHOBNGOXJHLX-UHFFFAOYSA-N 332.853 1.803 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1csc(Br)n1 585121650 VAZRATWZACOPHT-MRVPVSSYSA-N 332.223 1.598 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)c3ncoc3C)CC[C@H]21 257251072 JPHHDUJYKJOYOC-UONOGXRCSA-N 335.404 1.473 0 40 EDAB CCCc1cc(C(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)no1 257275562 NPWZZIKDGDHEEK-SFHVURJKSA-N 344.415 1.736 0 40 EDAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC(N2C(=O)CNC2=O)C1 253471090 AZKPOASSBJWBDZ-UHFFFAOYSA-N 342.330 1.197 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@]2(N)C(=O)O)cc1 252516991 YPVCWLHYZRDBNT-ZMSDIMECSA-N 349.383 1.856 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@](O)(c1ccoc1)c1cccs1 253473699 XJXBKOMQWAEOAD-INIZCTEOSA-N 347.396 1.749 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(-c3cccnc3)[nH]n2)n1 257240741 HUYUWEZZGKKNLQ-HNNXBMFYSA-N 338.371 1.717 0 40 EDAB CNC(=O)c1cn[nH]c1[C@@]1(C)CCCN(Cc2cnc(NC)nc2)C1 257324031 WMVZYLDLTOOPFJ-KRWDZBQOSA-N 343.435 1.155 0 40 EDAB COc1ccc(CNS(=O)(=O)C[C@H](C)OC)cc1NC(C)=O 252506590 WBHRJZMRCCOWGI-JTQLQIEISA-N 330.406 1.108 0 40 EDAB CN(C)c1cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)ccn1 257220363 DKNCRBCSVFSNMF-CQSZACIVSA-N 349.460 1.449 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)C 264046847 DHGFTEFIRWOSBC-VIFPVBQESA-N 348.852 1.930 0 40 EDAB CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)O)cs1 263121267 XCSZBOJXZVJASG-XRNSZHNASA-N 343.426 1.477 0 40 EDAB O=C(N[C@H]1CCN(Cc2cccnc2)C[C@H]1O)c1cccc(F)c1 1090022951 MRZJBJGOXCIECW-DLBZAZTESA-N 329.375 1.586 0 40 EDAB COc1ccc(S(=O)(=O)NC(=O)[C@@H](C)Cn2ccnc2)c(C)c1 1615057475 DMSMOUWSUDENOW-LBPRGKRZSA-N 337.401 1.341 0 40 EDAB COCCn1cc(CN[C@@H]2CS[C@H](C(C)(C)C)C2)c(O)nc1=O 1615585873 NICQLSLNPSTLRP-STQMWFEESA-N 341.477 1.605 0 40 EDAB CCc1cc2c(N3CCN4CCOC[C@@]4(CO)C3)nc(C)nc2s1 1615613558 ZDEYOMHZGGFNPY-KRWDZBQOSA-N 348.472 1.445 0 40 EDAB CC(C)NC(=O)c1ccc(NC(=O)[C@@H]2CCc3ncnn3C2)cc1 1615614113 MJNZUTHMYUKVBI-CYBMUJFWSA-N 327.388 1.617 0 40 EDAB Cn1c(CNC(=O)[C@H]2NCCOc3ccccc32)nnc1C1CC1 1615616559 UCPYXUFSODSUER-HNNXBMFYSA-N 327.388 1.032 0 40 EDAB CO[C@H]1CCC[C@@H]1S(=O)(=O)NCc1noc(-c2cccs2)n1 1615623261 RDSHDGDGHHMTGP-ONGXEEELSA-N 343.430 1.785 0 40 EDAB CCOCC(=O)N1CC2(C[C@@H](OCc3csc(C)n3)CCO2)C1 575403598 JCDDIHBYKXQKMK-AWEZNQCLSA-N 340.445 1.765 0 40 EDAB O=C(NCc1ccccn1)[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575405511 IRGCUFXWZOCVTP-MRXNPFEDSA-N 339.399 1.278 0 40 EDAB CC(C)COC[C@H]1CCn2nccc2CN1C(=O)c1cc(O)ncn1 585097619 NWFMVJVGJZUYCY-CQSZACIVSA-N 345.403 1.466 0 40 EDAB CC(=O)N1CCN(C2CCC2)C[C@](O)(COc2cccc(F)c2)C1 585282688 MSZMKEFWNTZJSS-SFHVURJKSA-N 336.407 1.652 0 40 EDAB CCOC(=O)c1cc(S(=O)(=O)NCCF)cnc1C(F)(F)F 585141493 ACCXJUGLSADPDN-UHFFFAOYSA-N 344.286 1.525 0 40 EDAB c1ccc(CN2Cc3ccnn3CC[C@H]2CN2CCOCC2)nc1 585096728 BJZAQFRWVAHKHU-KRWDZBQOSA-N 327.432 1.385 0 40 EDAB O=C(CCN1CCOCC1)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 585270987 DILXFIKUHSMVJC-MSOLQXFVSA-N 332.444 1.161 0 40 EDAB CCOc1cccc2c1OCC(C(=O)NCCCS(C)(=O)=O)=C2 56417623 AWZQRHJTFJPADX-UHFFFAOYSA-N 339.413 1.412 0 40 EDAB CCCS(=O)(=O)N1CCC(C(=O)NCCN2CCCCC2)CC1 63645500 IOWAFLKPJPNMGY-UHFFFAOYSA-N 345.509 1.040 0 40 EDAB Cn1cc(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)cn1 69413914 VULPZMQXYJBMKY-MRXNPFEDSA-N 330.457 1.826 0 40 EDAB Cn1cnc([C@@H]2CN(C(=O)NCc3ccc(F)c(F)c3)C[C@H]2N)c1 1553435804 LSONOFNTNGHWTO-BXUZGUMPSA-N 335.358 1.335 0 40 EDAB C[C@@H](O)CN1CCC(CN(C)CC(=O)NCc2cccs2)CC1 69901465 CUNSOSLTXHGTLT-CQSZACIVSA-N 339.505 1.389 0 40 EDAB Cc1nc(CCC(=O)NCc2cccnc2)cc(C2CCNCC2)n1 72366962 VETODAAFBTXRIU-UHFFFAOYSA-N 339.443 1.896 0 40 EDAB Cn1c(O)nc2ccc(C(=O)NC[C@@H](C(F)F)n3cccn3)cc21 1615548311 NLEVDTOCAOPECC-LBPRGKRZSA-N 335.314 1.712 0 40 EDAB COc1cccc(C2=CCN(C(=O)[C@H]3CCc4nnc(O)n4C3)C2)c1 1615590169 JXCKYTOEJUIDML-AWEZNQCLSA-N 340.383 1.481 0 40 EDAB COc1ccc(CNC(=O)C(=O)Nc2ccc(OC)c(OC)c2)cc1 5251313 FZCMHKIMIWFLGM-UHFFFAOYSA-N 344.367 1.967 0 40 EDAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)NC(=O)NC 5430246 MURKUICDMKRTCQ-NSHDSACASA-N 347.444 1.825 0 40 EDAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc(NC(C)=O)cc1 17071972 BJDQRAHHPOUNSB-CYBMUJFWSA-N 345.355 1.167 0 40 EDAB CC(C)CC(=O)N1CC[C@H](c2nn(CCN(C)C)c3nccnc23)C1 19446238 CKVMXLSPBGJIRF-AWEZNQCLSA-N 344.463 1.750 0 40 EDAB COc1nccnc1O[C@@H]1CCCN(C(=O)c2c(C)noc2C)C1 225495000 MKHVQZKUTDUDLD-GFCCVEGCSA-N 332.360 1.774 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2onc3c2CCCC3)CC1 13789399 SIIICWVJUVXHFI-UHFFFAOYSA-N 327.406 1.164 0 40 EDAB COCCN1CCC(CNS(=O)(=O)c2ccccc2F)CC1 23127560 KILBAILJPMOQBQ-UHFFFAOYSA-N 330.425 1.462 0 40 EDAB Cc1cc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)on1 1888849828 WVPXJQFTJQTNDJ-HZPDHXFCSA-N 325.368 1.600 0 40 EDAB CCOc1ccc(-n2ncc(C(=O)N[C@@H](C)[C@@H]3CCCO3)c2C)nn1 27889144 HUEYSDAGCYJOPG-FZMZJTMJSA-N 345.403 1.667 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@@H](C)[C@@H]2CCCO2)nn1-c1ccccc1 27875673 DGGCWWIYEWIZCG-BBRMVZONSA-N 327.384 1.838 0 40 EDAB Cc1nn(CCNC(=O)N2CCNC2=O)c(C)c1-c1ccccc1 238814928 BFJBQJJTLZHFSG-UHFFFAOYSA-N 327.388 1.902 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5ccccn5)C[C@H]4C3)n1)CCC2 2086964098 WGOBUZNLNMSEDW-HUUCEWRRSA-N 349.438 1.877 0 40 EDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)C3CC(F)(F)C3)CC[C@H]21 1565548185 ZBJGWNOGBVZGSS-HUUCEWRRSA-N 345.434 1.285 0 40 EDAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1 1565544316 HZCJHAXLCUPHLM-UHFFFAOYSA-N 346.431 1.041 0 40 EDAB O=C(Cn1ncccc1=O)N[C@@H](c1cccs1)C1CCOCC1 1565523505 PNOGUNHFASPTFC-MRXNPFEDSA-N 333.413 1.589 0 40 EDAB CC1CC(C(=O)N2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)C1 1565547477 PZNQHQANUBKCDJ-HDWXEKECSA-N 333.432 1.563 0 40 EDAB O=C(N1CCC2(CC1)CN(Cc1nccs1)CCO2)C1(F)CC1 1565544484 IGUAZSYBMKJAHL-UHFFFAOYSA-N 339.436 1.839 0 40 EDAB CCCNC(=O)Cn1c(=S)[nH]c2cc(C(=O)OC)ccc2c1=O 12415775 WQVGDTLXXFIPFB-UHFFFAOYSA-N 335.385 1.372 0 40 EDAB O=C(N[C@@H]1CCc2onc(CN3CCCC3)c2C1)c1ccncc1 2055734718 NVVBUNHLXIQSRI-CQSZACIVSA-N 326.400 1.953 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)N1CCCC[C@H]1c1ccnn1C 1775967298 ZFTXFPCOCAJXNR-AWEZNQCLSA-N 330.388 1.495 0 40 EDAB CN([C@@H]1CCCN(c2ncnc3c2CCC3)C1)S(=O)(=O)C1CC1 2086889140 FGHCDWWFJOHOMB-GFCCVEGCSA-N 336.461 1.358 0 40 EDAB CCc1nc(N)n(CC(=O)NCc2ccc(Cl)cc2)c(=O)c1C 49411053 QRICBAWVBRVNHT-UHFFFAOYSA-N 334.807 1.666 0 40 EDAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccno1 206793150 ZROOHHNSQBYPPN-PWSUYJOCSA-N 334.303 1.649 0 40 EDAB NCCn1nc([C@@H]2CCN(C(=O)C[C@@H]3C=CCC3)C2)c2nccnc21 19404341 YUWHSGZSRVJYKT-ZIAGYGMSSA-N 340.431 1.457 0 40 EDAB COc1ccccc1S(=O)(=O)NC[C@](O)(c1ccco1)C1CC1 75154945 OWKSUGJTBJVFRS-MRXNPFEDSA-N 337.397 1.864 0 40 EDAB CC[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCC1 40090059 VZYFVGJNSSZMBT-ZDUSSCGKSA-N 340.445 1.611 0 40 EDAB O=C(CCN1C(=O)COc2ccccc21)NCc1ccc(O)cc1 40490419 QWKJFMWHNPOSBL-UHFFFAOYSA-N 326.352 1.824 0 40 EDAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C1=Cc2ccccc2CC1 40463215 AASWBCSBNMGDLT-AWEZNQCLSA-N 341.454 1.422 0 40 EDAB O=C(CCCc1nc(-c2ccccc2)no1)N[C@H]1CCS(=O)(=O)C1 40474057 WQEWKLRUFRRDHX-ZDUSSCGKSA-N 349.412 1.363 0 40 EDAB COc1cccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 153848 VZIMENBDZGGJKA-UHFFFAOYSA-N 345.443 1.641 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)cc1 45876058 WEEBHVBICSOZHW-OAHLLOKOSA-N 328.416 1.797 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCCC2)cc1 8081671 ZCYWQQJOFAZIMG-GFCCVEGCSA-N 340.445 1.672 0 40 EDAB COc1cc(C)cc2oc(=O)c(CC(=O)NCCCC(=O)O)c(C)c12 2160560 BVTSXPZENLCAJQ-UHFFFAOYSA-N 347.367 1.942 0 40 EDAB biogenic CCCC(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 20904606 CWEIARDGDYGQIW-UHFFFAOYSA-N 333.432 1.369 0 40 EDAB O=C1NCCN(C(=O)c2cc[nH]n2)[C@@H]1c1ccccc1C(F)(F)F 96005974 OYFZQDXMTCDZFJ-GFCCVEGCSA-N 338.289 1.742 0 40 EDAB C[C@H](Sc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)NC2=O 21473388 LYUKBBNSPAFZIO-NSHDSACASA-N 333.413 1.368 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC(=O)NCc1ccccc1 102636559 YAIHVWRMZINAKF-OKILXGFUSA-N 343.383 1.188 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(C[C@H](O)COCc3ccco3)C2)n1 69701330 NBTPVMBQADSYPL-IRXDYDNUSA-N 348.447 1.778 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccnc1N1CCOCC1 69709186 BKRIKYFYGQSWNY-IRXDYDNUSA-N 344.459 1.617 0 40 EDAB NC(=O)c1ccsc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102914639 RVPXAACLQZEJHN-UWVGGRQHSA-N 349.412 1.351 0 40 EDAB CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12 531403 OBSRRULILQPKEK-UHFFFAOYSA-N 349.394 1.677 0 40 EDAB CCOc1ccccc1CNC(=O)c1ccc(=O)n(CCOC)n1 53163717 DIPLDNXYKBSIIP-UHFFFAOYSA-N 331.372 1.218 0 40 EDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)CC2CC2)C1=O 53141114 YEHCFTUFYBYMSM-GOSISDBHSA-N 347.390 1.851 0 40 EDAB Cn1nc(C(=O)NCCc2ccccc2C(F)(F)F)ccc1=O 53233938 QGCLPVCHXJDIFF-UHFFFAOYSA-N 325.290 1.772 0 40 EDAB COCCCCNC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 46735018 NAFZUVVYSFARPQ-CYBMUJFWSA-N 338.404 1.689 0 40 EDAB COc1cccc(COCC(=O)NCC(C)(C)N2CCN(C)CC2)c1 46782066 SZESKHDZGFBTDN-UHFFFAOYSA-N 349.475 1.354 0 40 EDAB Cc1cc(N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)nc(N)n1 42103151 XDRGDJOUZUZFKP-BETUJISGSA-N 333.436 1.219 0 40 EDAB CC[C@@]1(C)NC(=O)N(CC(=O)/N=c2/sc3ccccc3n2C)C1=O 104992225 MPNSNDBHLUVFNF-IBOXJLQUSA-N 346.412 1.388 0 40 EDAB Cc1ccc2nc(CN3CCN(c4ccccn4)CC3)cc(=O)n2c1 23640675 ATUNEYBHUOCVEN-UHFFFAOYSA-N 335.411 1.720 0 40 EDAB C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1nncn1C 43135973 YZUQQVHWIGNPSD-ZIAGYGMSSA-N 346.435 1.996 0 40 EDAB Cc1cc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)n(C)n1 43433648 MNJMSTUHAYBFKL-MRXNPFEDSA-N 343.431 1.269 0 40 EDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)NC2CCCCC2)C[C@@H](C)O1 47579394 CQXUQMYBCAQCDO-CHWSQXEVSA-N 347.481 1.057 0 40 EDAB Cn1nccc1[C@H]1CCCN([C@H]2CCN(CC(F)(F)F)C2=O)C1 106910866 MVAIHRRJKRKCAR-AAEUAGOBSA-N 330.354 1.763 0 40 EDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1[C@H](C)C(=O)N1CCOCC1 107048796 CPMHIHJRIJSDSX-CHWSQXEVSA-N 340.855 1.766 0 40 EDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCN(Cc2ccccc2)CC1 102837833 BHDMBBGWOFSURG-HDICACEKSA-N 339.439 1.713 0 40 EDAB Cn1ccc(CN2CC[C@@]3(C[C@@H](OCc4cccnc4)CO3)C2)n1 107785438 KUMFYAWJYBMPGU-QZTJIDSGSA-N 328.416 1.765 0 40 EDAB FC(F)(F)c1cccc(N2CCN(c3ccc4nnnn4n3)CC2)c1 12558018 WHFXKPALWSEUTQ-UHFFFAOYSA-N 349.320 1.865 0 40 EDAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(N)=O)c(OC)c1 12550400 YMBURSZDWMIOLW-XNTDXEJSSA-N 326.352 1.960 0 40 EDAB CCN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc(NC(C)=O)cc1 58175189 HNQLIAAWIPIPQW-ZDUSSCGKSA-N 326.418 1.692 0 40 EDAB C[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ccncc1 69920389 NMXZFWWRAOCMOE-HZPDHXFCSA-N 332.448 1.896 0 40 EDAB CCOc1cccc([C@H](C)NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c1 58200879 OSRQUNDLFUMCJU-NSHDSACASA-N 345.399 1.580 0 40 EDAB CCc1cnc(CN(C)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)s1 110657014 DPYBFXWPOZLQIH-STQMWFEESA-N 338.477 1.710 0 40 EDAB CNC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c1 58215012 UORVDDIAHRHQOO-UHFFFAOYSA-N 333.775 1.808 0 40 EDAB COc1ccc(F)cc1[C@H](C)NC(=O)NC[C@@H]1CCS(=O)(=O)C1 44968229 NEYNDJNCOZPOCT-QWRGUYRKSA-N 344.408 1.629 0 40 EDAB C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)c1ccc2c(c1)OCCCO2 44952402 XDFQSQFPJCMRMD-QWRGUYRKSA-N 327.402 1.458 0 40 EDAB CCC(=O)N[C@@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 58324399 KCSHCVAJCGGYIS-CYBMUJFWSA-N 328.416 1.456 0 40 EDAB Cc1nc(C(=O)NC2CCN(CC(=O)N3CCCC3)CC2)cs1 58380793 AKPBJNOYIBXWNV-UHFFFAOYSA-N 336.461 1.268 0 40 EDAB C[C@H](CN1CCCC1=O)Nc1ncnc2c1nnn2-c1ccccc1 69153755 HDGDOQTXTLCAQY-GFCCVEGCSA-N 337.387 1.633 0 40 EDAB Cc1nc(CNC(=O)NC[C@H](O)COc2cccc(F)c2)cs1 45343712 LHFGTNVBDBGJDU-ZDUSSCGKSA-N 339.392 1.830 0 40 EDAB O=C(O)CNS(=O)(=O)c1c(F)cc(F)cc1Br 3327426 ZQCWRKUFGZPDDN-UHFFFAOYSA-N 330.106 1.090 0 40 EDAB CN(CC(=O)Nc1ccc2ncccc2c1)[C@H]1CCS(=O)(=O)C1 69395349 IYJSCTLKXUVRLV-AWEZNQCLSA-N 333.413 1.292 0 40 EDAB Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H]3CCCNC3=O)c12 69333792 DDEONMHYOZBTKF-LLVKDONJSA-N 340.339 1.800 0 40 EDAB CCCN1CC[C@@H](CNc2ccc(S(=O)(=O)NC)cc2F)C1 91457403 RVGTTXPHCSCRNL-LBPRGKRZSA-N 329.441 1.878 0 40 EDAB COc1ccc(OC)c(NC(=O)Cn2nnc3ccccc3c2=O)c1 3617999 FIRQMPOFVWZMJH-UHFFFAOYSA-N 340.339 1.447 0 40 EDAB CCOc1ccc(N(CC(=O)N[C@@H](C)COC)S(C)(=O)=O)cc1 408621336 RKOQIYKMGBJJQE-LBPRGKRZSA-N 344.433 1.002 0 40 EDAB CCn1cc(S(=O)(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)c(C)n1 17071187 QYLQMCNVPDWONQ-JTQLQIEISA-N 340.327 1.233 0 40 EDAB CCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 13371403 PDVNWSBPQJCHID-KBPBESRZSA-N 349.449 1.155 0 40 EDAB O=C(CCn1c(=O)oc2ccccc21)N1CCCC[C@@H]1C1OCCO1 69415859 CFEZVZKLMFUIFD-CQSZACIVSA-N 346.383 1.739 0 40 EDAB c1ccc(-c2noc(CN3CCO[C@H](Cn4cccn4)C3)n2)nc1 69451594 DDTPFZSKDLQNNY-ZDUSSCGKSA-N 326.360 1.229 0 40 EDAB Nc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Br)c1)CC(=O)N2 17919390 ATZSWNIZHAJEHX-QMMMGPOBSA-N 335.161 1.589 0 40 EDAB O=C(Nc1ccc2nc(CN3CCOCC3)[nH]c2c1)c1ccc[nH]1 64496330 VUATWVTZDVKBEL-UHFFFAOYSA-N 325.372 1.976 0 40 EDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCCN2CCC[C@H]2C1 64536624 INHRVBOVEGBNTK-AWEZNQCLSA-N 340.427 1.552 0 40 EDAB O=c1[nH]c(Cn2nnc(-c3ccc4c(c3)OCO4)n2)nc2ccccc12 5052491 XAXKIMMJAKGAKT-UHFFFAOYSA-N 348.322 1.354 0 40 EDAB O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCS(=O)(=O)C1 13731710 XIADUPZRLBGHPL-LBPRGKRZSA-N 336.438 1.656 0 40 EDAB CCc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)cc1 69818712 YCYNFNMSPGHVNE-QGZVFWFLSA-N 346.427 1.478 0 40 EDAB O=C(CN(CC1(O)CCCC1)CC1(O)CCCC1)NC1CCCC1 69664402 MJTGOCWKZNXRTI-UHFFFAOYSA-N 338.492 1.957 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N[C@@H](C)[C@H](C)n3cncn3)cnc12 69696817 JMJDIIOICPAQPN-STQMWFEESA-N 340.387 1.062 0 40 EDAB c1cn2cc(CN3CCN(c4ccc5nncn5n4)CC3)nc2s1 69845859 NEOBNILBSRLVTF-UHFFFAOYSA-N 340.416 1.156 0 40 EDAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCC[C@H](Cn2cncn2)C1 69810168 MIUFKJNZEYFRAK-KBPBESRZSA-N 332.408 1.704 0 40 EDAB Cc1cccc(OCCC(=O)N(C)CCNS(C)(=O)=O)c1C 69897899 MELBBKNPMVAPPX-UHFFFAOYSA-N 328.434 1.080 0 40 EDAB O=C(NCCN1CCOCC1)c1sc(N2CCCC2)nc1Cl 65407515 URYCATYOCYADTM-UHFFFAOYSA-N 344.868 1.459 0 40 EDAB CCN1CCN([C@@H](C)CNC(=O)NCc2csc(C)n2)CC1 65440565 MBDXBGJQIKBEHJ-LBPRGKRZSA-N 325.482 1.277 0 40 EDAB O=C(COc1ccc(-c2nnco2)cc1)NC(=O)NCc1ccco1 6589113 USMDIVYRANKOOQ-UHFFFAOYSA-N 342.311 1.734 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2Cl)NC(=O)N1 5785992 BRMSFCKCNVYUHF-AWEZNQCLSA-N 335.791 1.827 0 40 EDAB Cc1ccc(C(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1 4829814 AEFRSKQOQCJQGR-NSHDSACASA-N 326.356 1.186 0 40 EDAB CCn1cc(NC(=O)CNC(=O)NCc2ccc(Cl)cc2)cn1 66613099 RYHHXNIDGATFFA-UHFFFAOYSA-N 335.795 1.994 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCCCC3)N2)cc1 9227042 HKNQUSHGDMRZIR-OAHLLOKOSA-N 342.399 1.558 0 40 EDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)N1CCC[C@H](C)C1 9257025 IMTOIQUQNPJQLR-ZDUSSCGKSA-N 339.461 1.677 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(-n2nccn2)cc1 68544927 LTJXXHIQSJQGFB-RYUDHWBXSA-N 330.392 1.692 0 40 EDAB CC[C@@H](C)NC(=O)CCNC(=O)Nc1ccc(-n2cncn2)c(F)c1 68547652 FETZPEXFHOMAOM-LLVKDONJSA-N 348.382 1.833 0 40 EDAB CN1CC[C@H](Nc2cccc(CN(C)C(=O)C(F)(F)F)c2)C1=O 81152728 VPCQZNKXOABUKC-LBPRGKRZSA-N 329.322 1.850 0 40 EDAB CC(C)C(=O)N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O 9420361 VJVHOJFDVCFHMQ-LBPRGKRZSA-N 333.266 1.362 0 40 EDAB CC(=O)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccccn1 9418373 XVISVZOJLJETPI-UHFFFAOYSA-N 339.461 1.636 0 40 EDAB CC(C)(C)C(=O)N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O 9419938 AGZHYBFJLKJRKT-ZDUSSCGKSA-N 347.293 1.752 0 40 EDAB C[C@@H](C1CC1)N(C(=O)Cn1c(-c2cnccn2)noc1=O)C1CC1 96402810 UMUJFPMXXKMTLZ-JTQLQIEISA-N 329.360 1.083 0 40 EDAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCN2CCCC[C@@H]2C1 71839856 PXXJDKMDUOPYOR-MRXNPFEDSA-N 338.411 1.543 0 40 EDAB O=C(c1ccncc1)N1CCCN(Cc2nnsc2Cl)CC1 71850377 SPAOBXJWQVFUJG-UHFFFAOYSA-N 337.836 1.935 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 71881911 JDKKXKLVLSUCJP-IKGGRYGDSA-N 338.492 1.766 0 40 EDAB Cc1cc(NCCCS(C)(=O)=O)n2nc(C(F)(F)F)nc2n1 71828037 SQYJMDGBZCJVSH-UHFFFAOYSA-N 337.327 1.298 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2scnc2C)C(N)=O)cc1 71826766 QUBAMJPZMHMFME-CYBMUJFWSA-N 347.440 1.924 0 40 EDAB Cc1ccc([C@@H]2CSCCN2Cc2cc(=O)n(C)c(=O)n2C)cc1 71909436 ZMDFOHHRLFZBPB-INIZCTEOSA-N 345.468 1.683 0 40 EDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCCOCC1CCOCC1 71920813 CXVUAVLMYIHIJR-CYBMUJFWSA-N 328.453 1.487 0 40 EDAB CN1CC(=O)N(CC(=O)Nc2ccccc2C(=O)C2CCCC2)C1=O 72293039 LCVGJVWDHWHFFM-UHFFFAOYSA-N 343.383 1.892 0 40 EDAB Cc1csc([C@@H]2CCCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)n1 72298951 RHVZWAQKDAPDAT-GHMZBOCLSA-N 336.417 1.146 0 40 EDAB C[C@H](O)CC(C)(C)CNC(=O)CC1(N2CCOCC2)CCCC1 87424398 SWXHWRWYJZFXQG-HNNXBMFYSA-N 326.481 1.935 0 40 EDAB O=C(CCc1nc(-c2ccco2)no1)N[C@@H]1CCc2nccn2C1 97197526 WZMWIIIQONCZPR-LLVKDONJSA-N 327.344 1.590 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1noc(-c3ccccc3)n1)CC2 76064485 MHOFSJBIEXCCMB-UHFFFAOYSA-N 337.383 1.872 0 40 EDAB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)NCc1nnc2n1CCCC2 76046744 GUHCCGKXXUTQJW-OLZOCXBDSA-N 345.451 1.899 0 40 EDAB Cc1ccc2oc(C(=O)N3C[C@H](C)[C@@H](N4CCOCC4)C3)cc2n1 76051963 QKGHFIKCDMTYEI-WFASDCNBSA-N 329.400 1.929 0 40 EDAB COc1ccccc1-c1noc([C@H](C)NC(=O)[C@H](C)NC(C)=O)n1 72303534 ZLGKQCYEAUZSQF-UWVGGRQHSA-N 332.360 1.447 0 40 EDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCn2ccnc2C1 97201556 NZIDURIBUCAVNJ-ZDUSSCGKSA-N 339.399 1.463 0 40 EDAB O=C(CN1CCCN(c2cnc3ccccc3n2)CC1)N1CCCC1 77302814 IGXMFTJDRNJPNU-UHFFFAOYSA-N 339.443 1.764 0 40 EDAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 84640690 QVKKRMVSHWGMAN-DGCLKSJQSA-N 326.418 1.152 0 40 EDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cccn2C)cc1OC 95389843 LHVZUIINCSXLKQ-LBPRGKRZSA-N 332.356 1.988 0 40 EDAB O=C(CN1CCC(=O)NC1=O)NCc1ccc(-c2ccccc2F)o1 95395253 DPXOZRRFFVWLBD-UHFFFAOYSA-N 345.330 1.644 0 40 EDAB O=C(c1cn(-c2ccccc2)nn1)N1CCc2c(ncn2C2CC2)C1 95393738 GFLUMPQXRBHRRW-UHFFFAOYSA-N 334.383 1.997 0 40 EDAB CC[C@@H]1CN(C(=O)c2c(C)nsc2NC)C[C@@H]1N1CCOCC1 84735982 UASSTZJVCVTGDY-OLZOCXBDSA-N 338.477 1.676 0 40 EDAB CN(C)c1nnc(-c2ccc(NC(=O)c3ccc(=O)n(C)c3)cc2)o1 95447262 UXMKTNSVFILYGD-UHFFFAOYSA-N 339.355 1.754 0 40 EDAB c1cc2c(cc1CNc1nc(N3CCOCC3)ns1)OCCO2 95445195 DSFVUSKIQDAUIK-UHFFFAOYSA-N 334.401 1.758 0 40 EDAB C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCCO)c1)c1ccccc1 98067035 YEYJFCHNHVLDLK-CYBMUJFWSA-N 348.424 1.448 0 40 EDAB C[C@@H](C(=O)OCc1cccc(C(N)=O)c1)n1c(=O)oc2ccccc21 73754454 WCZREVAMKRMJJM-NSHDSACASA-N 340.335 1.998 0 40 EDAB CNc1ncc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)s1 95978275 UJQXZBOUFPOYDN-CQSZACIVSA-N 346.456 1.988 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)CNc2cccc(CC(F)(F)F)c2)C1 79062225 NOVMOUGQSDVFIY-LBPRGKRZSA-N 343.349 1.927 0 40 EDAB NC(=O)[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)c2ccccc21 75138435 GOPPKXXFXNNCHY-HOCLYGCPSA-N 336.347 1.384 0 40 EDAB Cn1cc(Br)cc(NC(=O)NC[C@H]2CCCO2)c1=O 75107759 HTPPGLBGWVPZIT-SECBINFHSA-N 330.182 1.448 0 40 EDAB Cc1ccccc1O[C@@H](C)CNC(=O)N1CCS(=O)(=O)CC1 75307670 MZGXZUZGONXJNH-ZDUSSCGKSA-N 326.418 1.202 0 40 EDAB Cc1cc(=O)cc(O)n1CCn1c(C)nc2ccc(F)cc2c1=O 1547212415 ONWFXDXNAXZJIY-UHFFFAOYSA-N 329.331 1.720 0 40 EDAB CCOCCCNC(=O)CN(CC)S(=O)(=O)c1ccccc1 39985314 CHAYHSOJMWFQSR-UHFFFAOYSA-N 328.434 1.240 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCNC(=O)C(C)C)CC2=O)c(F)c1 31883918 DYACXXPJRCGJJK-CYBMUJFWSA-N 349.406 1.375 0 40 EDAB CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCOC 217515534 KABCDCLMMRBEQM-UHFFFAOYSA-N 344.433 1.912 0 40 EDAB Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)N(C)C1 78769684 NFRDTJPUMNDLSV-GXTWGEPZSA-N 347.440 1.313 0 40 EDAB CCCCNC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 78325953 HLWSOSDSULUGTO-UHFFFAOYSA-N 326.418 1.572 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CC(c2nc(-c3cccs3)no2)C1 49483908 ZHDKNKXGCKQFKN-UHFFFAOYSA-N 328.353 1.726 0 40 EDAB C[C@H]1CN(C[C@H](O)COCCOc2ccc(F)cc2)C[C@H](C)O1 41690187 RETOKUOVURNNNX-DZKIICNBSA-N 327.396 1.691 0 40 EDAB Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1OCC(=O)N(C)C 226748995 ZXCPQGULFYSYTG-UHFFFAOYSA-N 328.434 1.539 0 40 EDAB COc1cc(C(F)(F)F)nc(NC(=S)NC[C@@H]2CCCO2)n1 225909835 XVYWLNPUOXMNIM-ZETCQYMHSA-N 336.339 1.969 0 40 EDAB Cc1cn(-c2ccccc2)nc1OCC(=O)N1CCC(C(N)=O)CC1 226852556 BYHIFZCKZZEEAK-UHFFFAOYSA-N 342.399 1.283 0 40 EDAB CCO[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 193763951 OSYIWLHKSIHKGO-CABCVRRESA-N 329.404 1.670 0 40 EDAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc[nH]1 223639941 BRJUTGNMNQMYHS-HUUCEWRRSA-N 330.413 1.945 0 40 EDAB O=C(c1ncccn1)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225780323 IDOSHCYGYCFPHE-UHFFFAOYSA-N 341.758 1.336 0 40 EDAB O=C([C@H]1CCCO1)N1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 96226356 WNRPKWRIYKBVRL-SJLPKXTDSA-N 331.416 1.458 0 40 EDAB CC(C)c1ccccc1S(=O)(=O)N[C@]1(CC(=O)O)CCOC1 581998666 RHXGXHDUKNWQLU-HNNXBMFYSA-N 327.402 1.722 0 40 EDAB Nc1ncc2c(n1)CCN(C(=O)c1ccnc(OC3CCC3)c1)C2 578386781 DKJVTKZLSMCYCG-UHFFFAOYSA-N 325.372 1.584 0 40 EDAB CC(C)n1cc(N2C[C@@H](C(=O)NC3CCC(O)CC3)CC2=O)cn1 96101527 BIJMYVLWASLRTN-OPFPJEHXSA-N 334.420 1.237 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@H](N3CCOCC3)C[C@@H]2C(=O)O)cc1 96069087 KRZHWQSCVFYENW-DLBZAZTESA-N 346.427 1.314 0 40 EDAB C[C@@H]1CO[C@H](CO)CN1C(=O)C1(C)CCN(Cc2ccccc2)CC1 97103159 VNWLDTMLQDKNND-AEFFLSMTSA-N 346.471 1.897 0 40 EDAB CC(C)NC(=O)N1CCN(Cc2ccoc2)C[C@@]2(CC(=O)N(C)C2)C1 96036091 IAPCTYDUXNFNHV-SFHVURJKSA-N 348.447 1.364 0 40 EDAB CCCNC(=O)[C@H]1CN(Cc2n[nH]c(CC)n2)c2ccccc2O1 97096348 COLPBHHIZKEKQZ-CQSZACIVSA-N 329.404 1.661 0 40 EDAB C[C@H](NCC(=O)N(C)C1CC1)c1ccc(S(C)(=O)=O)c(F)c1 96491992 NGGLLKTTZFLVNR-JTQLQIEISA-N 328.409 1.501 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2nnc3n2CCC3)cc1N(C)C 96472597 HJVRFHGHRSMSAD-LBPRGKRZSA-N 349.460 1.638 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(c2ncc(C)c(C)n2)C1 583616775 BNIMWVXEKMHISV-OLZOCXBDSA-N 325.376 1.498 0 40 EDAB Cn1cnc2c1[C@H](COCC1CC1)CN(C(=O)c1ccnnc1)C2 96044920 UULGLJKLYZRZKZ-AWEZNQCLSA-N 327.388 1.376 0 40 EDAB O=C(c1ccc(F)cc1)N1C[C@@H]2OCCN(C[C@H]3CCCO3)[C@@H]2C1 96246504 WWVMGOGSMWXFMT-ZACQAIPSSA-N 334.391 1.530 0 40 EDAB C[C@@H]1[C@@H](CC(=O)N2CCOCC2)COCCN1Cc1cccnc1 249698660 WAHPRATVAQGGQR-WBVHZDCISA-N 333.432 1.167 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1COCCN1C(=O)c1cccs1 257264454 LULMUWBHUWKGGY-VIFPVBQESA-N 341.414 1.088 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257293336 QPBGTYMASCDYCS-OAHLLOKOSA-N 329.404 1.670 0 40 EDAB Cc1nccc([C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1 257283839 PACANRHPVVQXAK-KRWDZBQOSA-N 347.440 1.762 0 40 EDAB C[C@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1CC1CC1 253590746 FENZLCVJURDGEB-AWEZNQCLSA-N 339.443 1.924 0 40 EDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)CCn3ccnc3)C[C@@H]21 257250540 JMXVUTKUNGOAAZ-OWCLPIDISA-N 340.431 1.437 0 40 EDAB O=C1CO[C@@H]2CCN(C(=O)Cc3c(F)cccc3Cl)C[C@@H]2N1 257215835 CRWIWEUIKMSDRO-QWHCGFSZSA-N 326.755 1.138 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)CC1 257215867 CSAFDWBMUZIXSC-QGZVFWFLSA-N 346.431 1.252 0 40 EDAB CC(=O)NCc1cnc([C@H]2CN(CCc3ccc(F)cc3)CCO2)[nH]1 257321486 WBWVWIJHWMOAGY-QGZVFWFLSA-N 346.406 1.801 0 40 EDAB CN1CCN(Cc2ccc(Br)cc2)C[C@H](C(N)=O)C1 257312318 UNJNFXAGQXNVSX-GFCCVEGCSA-N 326.238 1.298 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)Cc1cccnc1 257204738 AWCVPRANVGOEBE-IBGZPJMESA-N 340.427 1.509 0 40 EDAB COc1ccccc1N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O 260895090 IEKXGXNWOWYMKQ-GFCCVEGCSA-N 328.434 1.622 0 40 EDAB O=C(c1cnn2c1N[C@H](C1CC1)C[C@@H]2C(F)F)N1CCC[C@@H](O)C1 1616031042 ISDDFTXFQFYATM-KGYLQXTDSA-N 340.374 1.880 0 40 EDAB O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccns1 1615591503 YKXNYMFBUIUFKS-UHFFFAOYSA-N 337.426 1.514 0 40 EDAB O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@H]1COc2ccccc2C1 655601764 RRVLITRSHZTMCZ-CABCVRRESA-N 326.352 1.445 0 40 EDAB CCCS(=O)(=O)N1CC2(C1)OCC[C@@H]2COc1ccccn1 575403683 MPRFEPVKOSNNMP-CYBMUJFWSA-N 326.418 1.291 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2cccc(F)c2Cl)C[C@@H]1OC 585277218 HAKFLRZZURYLOA-CABZTGNLSA-N 328.771 1.702 0 40 EDAB O=C(NC[C@@H]1CN(Cc2cccnc2)Cc2ccnn21)N1CCCC1 585113092 ZQHGLDPFKJGJRY-QGZVFWFLSA-N 340.431 1.640 0 40 EDAB Cc1cc(N2CCC[C@H](NS(C)(=O)=O)C2)ncc1Br 131386940 QHYYRYAVUACRHO-JTQLQIEISA-N 348.266 1.671 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2nccs2)CC1 44226682 HXVDKMCDISVOBF-UHFFFAOYSA-N 349.416 1.376 0 40 EDAB CS[C@H](C)C(=O)NCCS(=O)(=O)NCc1ccc(F)cc1 53415804 QLAWRJRLVYZTBQ-SNVBAGLBSA-N 334.438 1.113 0 40 EDAB CCOC(=O)c1sc2nc(C)nc(NCC(=O)N(C)C)c2c1C 55530524 ZVJHRUJWEZWBGC-UHFFFAOYSA-N 336.417 1.985 0 40 EDAB CCc1nnc2n1CCN(CCCOc1ccc3c(c1)OCO3)C2 69451176 HOQRSKXJLYTNSI-UHFFFAOYSA-N 330.388 1.854 0 40 EDAB Cc1nnnn1-c1cccc(NC(=O)N[C@H](C)CN2CCCC2=O)c1 69510902 QWJBLDCWRNBOAX-LLVKDONJSA-N 343.391 1.103 0 40 EDAB O=C(C[C@@H]1CCCO1)Nc1ccccc1S(=O)(=O)N1CCCC1 70039544 WGJWBZJPQZTDDI-ZDUSSCGKSA-N 338.429 1.979 0 40 EDAB CC(C)C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(C)(C)C 71915243 PSVQFKFQNLRWHJ-ZDUSSCGKSA-N 333.436 1.707 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)NC[C@H]2CCN(C3CC3)C2)C1 79457127 HEBYERWVTKARJH-CVEARBPZSA-N 348.491 1.419 0 40 EDAB CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(=O)n(C)n1 95954481 RNQCRQUEXFWOCV-UHFFFAOYSA-N 332.379 1.123 0 40 EDAB CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(=O)n(C)n1 189478566 GDUUZBQSRGJZTN-SFHVURJKSA-N 329.400 1.584 0 40 EDAB CCOC(=O)c1cnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1 1614701228 CNCFPEDFIMPTQD-GFCCVEGCSA-N 336.392 1.757 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)nc2ccccc12 1615038866 UIPWJVABZAMYRR-GFCCVEGCSA-N 333.413 1.294 0 40 EDAB C[C@@H](NC(=O)[C@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)CCC2 12194961 DPHUBNDNMQZDOO-MLGOLLRUSA-N 334.441 1.553 0 40 EDAB CCn1nccc1C(=O)N1CCO[C@@H](C(=O)N2CCCCCC2)C1 19747179 IEVCZVBJASXKAS-OAHLLOKOSA-N 334.420 1.147 0 40 EDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccn3)C2=O)o1 6228894 NOMHSRFEASLXOC-WQLSENKSSA-N 327.296 1.554 0 40 EDAB O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cnn2c1OCCC2 556815984 VBCKOVXJJHMDSV-INIZCTEOSA-N 340.427 1.918 0 40 EDAB O=C(NCc1ccco1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 16850988 PNMNDRFKCVABTJ-LLVKDONJSA-N 349.412 1.254 0 40 EDAB O=S(=O)(CCc1ccccc1)N[C@H]1CCN(C2CCOCC2)C1 1259740628 LOYZNYBTTHIHPS-INIZCTEOSA-N 338.473 1.402 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCN1CCc2ccccc2C1 30634632 CBCLQGBNMWDUBH-WMLDXEAASA-N 329.444 1.323 0 40 EDAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccn(C)c(=O)c1 30876624 UMJPEFNHALFUCV-UHFFFAOYSA-N 339.395 1.550 0 40 EDAB O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCc1ccco1 32724908 ZPANLTQAEAROEY-UHFFFAOYSA-N 325.324 1.167 0 40 EDAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2CCC2)CC1 35292699 JBRYEMDTMMAYOR-MRXNPFEDSA-N 334.391 1.984 0 40 EDAB CC(C)N(C)CC(=O)N1CCCn2ncc(C(=O)N3CCCC3)c2C1 1565545934 RXJCBJRFIYKCLB-UHFFFAOYSA-N 347.463 1.192 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCN1CCCC1=O 4163613 QNLRJSPPSZKGFO-UHFFFAOYSA-N 327.384 1.788 0 40 EDAB CCNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1 4412531 IVYLNCILBGJIJA-UHFFFAOYSA-N 347.440 1.629 0 40 EDAB Cc1ncsc1CN1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772755 YVWKVOSCFOKLJF-UHFFFAOYSA-N 345.472 1.872 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)Nc1ccc2c(c1)OCO2 2108204 WTDSMKBEIDIUHA-JTQLQIEISA-N 326.374 1.832 0 40 EDAB biogenic O=C(NCc1nnc2cc(C(F)(F)F)ccn12)NC[C@@H]1CCCO1 225808118 VOYVSTFOSZWBIC-JTQLQIEISA-N 343.309 1.726 0 40 EDAB CC/C(NCCN(C)C)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 20266998 JDZGRARJRCAELR-BUHFOSPRSA-N 330.388 1.085 0 40 EDAB O=C(Cn1ccccc1=O)NC[C@@H](c1ccco1)N1CCCCC1 40460879 WPYXWPKXKRMAIC-HNNXBMFYSA-N 329.400 1.785 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 31613358 GODSVNQDOCPYAW-HONMWMINSA-N 336.413 1.198 0 40 EDAB CN(Cc1ccco1)C(=O)c1nc(N2CCOCC2)ncc1Cl 40543024 STUQLEKXINCSNT-UHFFFAOYSA-N 336.779 1.832 0 40 EDAB CC(C)N1C[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)CC1=O 40510795 SRYRDXSKDRWUJK-AWEZNQCLSA-N 327.388 1.140 0 40 EDAB COC(=O)c1ccc(COC(=O)c2ccc(OCC(N)=O)cc2)cc1 7580788 KZYVXDJYKGEGIR-UHFFFAOYSA-N 343.335 1.694 0 40 EDAB COc1ccccc1N1CCN(C(=O)CCNc2ncccn2)CC1 45857430 MHKIAACQUMJTKO-UHFFFAOYSA-N 341.415 1.636 0 40 EDAB CC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 557403 TXFXJKRMKBARJZ-UHFFFAOYSA-N 348.472 1.824 0 40 EDAB O=C1CC[C@@H](C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)N1 68105114 YLFGLFSHAKOSGO-CVEARBPZSA-N 338.411 1.704 0 40 EDAB Cc1noc(C)c1C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 101219732 MYEJFQBGZLFEFI-LBPRGKRZSA-N 327.340 1.749 0 40 EDAB COC(=O)CNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 69537602 RXPRFAFCKSGIHI-LLVKDONJSA-N 342.804 1.144 0 40 EDAB CCc1sc(C(=O)NCCS(=O)(=O)N2CCOCC2)cc1C 51986703 JTJJKNIUFVIEKS-UHFFFAOYSA-N 346.474 1.011 0 40 EDAB CCCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 101714043 NMYINRCYJSZHED-AJNGGQMLSA-N 345.351 1.846 0 40 EDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N3CCN=C3S2)cc1 2728901 ZGHQXBZOPQUZFU-LBPRGKRZSA-N 347.396 1.506 0 40 EDAB C[C@@H](CNC(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCOCC1 46260524 SEMDIGTZEHEPCR-GJZGRUSLSA-N 349.431 1.189 0 40 EDAB CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1CCS(=O)(=O)C1 32768188 OVCUWOBQLFFJFH-VIFPVBQESA-N 345.442 1.860 0 40 EDAB CC(=O)NCc1ccc(C(=O)NCc2cccnc2-n2ccnc2)cc1 32778143 IZCKCGAVAVBQNJ-UHFFFAOYSA-N 349.394 1.833 0 40 EDAB CC(C)N1C[C@H](C(=O)N[C@@H](C)c2nnc3n2CCCCC3)CC1=O 46353773 YBNWKWBKEHVPEE-QWHCGFSZSA-N 333.436 1.439 0 40 EDAB CCCOc1cccc(C(=O)NC(=S)Nc2nnn(CC)n2)c1 6779103 BNFVPHREBKDGAX-UHFFFAOYSA-N 334.405 1.609 0 40 EDAB O=C(COC(=O)c1ccccc1-n1cnnn1)c1ccc(F)c(F)c1 7779845 MEJIHNLOPYJDKG-UHFFFAOYSA-N 344.277 1.980 0 40 EDAB Cn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)ccc1=O 2641351 PMYGXHWQYIVDID-UHFFFAOYSA-N 332.385 1.072 0 40 EDAB CC[C@@H](C)NC(=O)CS(=O)(=O)Cc1nc(-c2cccs2)no1 32929927 VHGGWBVZKWFLGX-SECBINFHSA-N 343.430 1.628 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1C(=O)N[C@]2(CCCc3ccccc32)C1=O 8315842 JNVIVGPVIWLEBN-VOJFVSQTSA-N 327.384 1.437 0 40 EDAB O=C(O)c1cc(C(=O)O)cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 8468301 JOQBGFKVMFUNCX-OZVVPTBGSA-N 327.292 1.395 0 40 EDAB CCn1cnnc1CNC(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 41369107 RUQCRINVIXLEKC-JTQLQIEISA-N 344.375 1.189 0 40 EDAB COCCN1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 69656487 BHBPWNXCWVUBSG-UHFFFAOYSA-N 325.840 1.220 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 33120018 DKNBAMOPFAXEPA-SNVBAGLBSA-N 342.399 1.788 0 40 EDAB C/C(Cl)=C/Cn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C 542655 CTDOVSIQFJCNMK-UITAMQMPSA-N 349.778 1.771 0 40 EDAB CC[C@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccc(C)c(C)c1 41606174 ZSSSEERYPYEWEB-NSHDSACASA-N 334.401 1.997 0 40 EDAB Cc1csc(N2CCN(c3ncc(C(N)=O)cc3Cl)CC2)n1 54058196 IHHAKYXZJSKCIU-UHFFFAOYSA-N 337.836 1.925 0 40 EDAB C[C@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)C1CC1 23040430 NBZCKMRHUAWOFO-ZDUSSCGKSA-N 327.384 1.851 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)CCO1 72050506 IHVZNFAMIQWAGU-XQQFMLRXSA-N 342.317 1.522 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C[C@H](C)O1 55216214 YYWYBTBKYAIQSE-RYUDHWBXSA-N 338.429 1.759 0 40 EDAB CCOc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 24095524 VDSMPBBTWGCCGH-XYPHTWIQSA-N 345.395 1.776 0 40 EDAB O=C(NCCN1CCc2ccccc21)C1CCN(C(=O)C2CC2)CC1 47301163 SZIRPCMBFXFZGT-UHFFFAOYSA-N 341.455 1.814 0 40 EDAB O=c1nc(N2CCCN(Cc3ccc(F)cc3)CC2)[nH]c2[nH]ncc12 106463511 XQQOMMKLYZDEGN-UHFFFAOYSA-N 342.378 1.498 0 40 EDAB C[C@@H](C(=O)Nc1ccc(NC(=O)C2CCOCC2)cc1)n1cncn1 25295394 BLYOZVSXPMTBTN-LBPRGKRZSA-N 343.387 1.843 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 25436706 ZQTDDIJKSZWZRW-JQWIXIFHSA-N 344.458 1.041 0 40 EDAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1C[C@H]2CC[C@H]1C2 107333527 JLMBVUJNBZPHEU-GMXVVIOVSA-N 337.397 1.699 0 40 EDAB NS(=O)(=O)c1ccc(CCNc2cnc3ccccc3n2)cc1 26134784 ZKMFJQCEPGWTDG-UHFFFAOYSA-N 328.397 1.932 0 40 EDAB O=C(Nc1ccnc2ccnn12)[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 108714754 CBPZFQGUMOOHBX-OLZOCXBDSA-N 343.387 1.228 0 40 EDAB Cc1nc([C@@H]2CCCN2CC(=O)NCCOc2cccc(F)c2)no1 75573196 CFPBHCJHGUZYTI-HNNXBMFYSA-N 348.378 1.849 0 40 EDAB COC(=O)c1cn([C@H]2CCCC[C@@H]2OC(=O)c2cnn(C)c2C)nn1 58280732 LDGBJUUUCKMCET-KBPBESRZSA-N 347.375 1.447 0 40 EDAB CC(C)Oc1ncc(C(=O)NC[C@H]2CN(C)CCO2)cc1Cl 58265598 JBPVNLQERJXTOX-LBPRGKRZSA-N 327.812 1.583 0 40 EDAB COc1ccccc1[C@@H](NC(=O)NCCCC(N)=O)c1nccn1C 44952651 LFRVSYKCVZLSFX-OAHLLOKOSA-N 345.403 1.083 0 40 EDAB NC(=O)[C@H]1CCCN(CCCNc2nccc(C(F)(F)F)n2)C1 58343974 FCJKJPBCDDLPRB-JTQLQIEISA-N 331.342 1.495 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)c2ccccc12 58364896 LHHUJCREOREFBP-LBPRGKRZSA-N 348.424 1.748 0 40 EDAB Cn1c(=O)c2ccccc2n2c(S[C@@H]3CCCCNC3=O)nnc12 10422896 GVIQHXISZVMMCQ-GFCCVEGCSA-N 343.412 1.342 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-n2cncn2)c1 28024401 OGDKFDBRIVYQFW-UHFFFAOYSA-N 342.380 1.923 0 40 EDAB O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@@H]1CCOC1 76019161 HHMULVGTEOCLFH-CQSZACIVSA-N 336.407 1.822 0 40 EDAB O=c1cc(CN(C[C@H]2CCCO2)C[C@H]2CCCO2)nc2sccn12 48251071 JESYLMVKZHJSKZ-HUUCEWRRSA-N 349.456 1.916 0 40 EDAB C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)N1CCCC1 12805235 MCDLSPKDKDWESA-ZDUSSCGKSA-N 346.456 1.917 0 40 EDAB C[C@@]1(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1(Cl)Cl 68783247 OIIOFQAACOSTHF-VIFPVBQESA-N 343.257 1.596 0 40 EDAB C[C@H]1CCCCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 16484628 GSGVIEQOACCGLI-LBPRGKRZSA-N 333.388 1.980 0 40 EDAB CCOc1ccnc(N2CCN(C[C@H](O)c3ccc(F)cc3)CC2)n1 69819608 NQDWIFAFUKKZGC-INIZCTEOSA-N 346.406 1.870 0 40 EDAB Cc1ccc(C(=O)NC2CCN(C[C@@H](O)Cn3cccn3)CC2)s1 69844153 FOFJFXXJGOOFEZ-OAHLLOKOSA-N 348.472 1.508 0 40 EDAB c1cnnc(N2CCC[C@H](NCc3nnc(-c4ccco4)o3)C2)c1 69872337 JEOSFYUXNMDLIY-LBPRGKRZSA-N 326.360 1.878 0 40 EDAB NC(=O)c1ccc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)cc1 69808763 UAUXYOZNCMEDEP-UHFFFAOYSA-N 346.350 1.124 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)NCCc2cnn(C)c2)c1 65440217 UVRPHDZWCKOTOC-HNNXBMFYSA-N 348.403 1.013 0 40 EDAB C[C@H](O)CN1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 70039973 XPFDKZBBFJUTGR-LBPRGKRZSA-N 326.824 1.610 0 40 EDAB COc1ccc(OCCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 65575293 OZRUPWIWKDXJNT-HNNXBMFYSA-N 327.402 1.158 0 40 EDAB C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(-c2ccco2)[nH]c1=O 65500505 VUCOLFAFJUXHQN-NSHDSACASA-N 329.356 1.376 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)[C@H](c2ccccc2)n2cccn2)CC1 70003946 CFZBSYVUKISHOT-ROUUACIJSA-N 342.443 1.388 0 40 EDAB COC(=O)C[C@@H](NC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)OC 14246116 NLYZMZXYTUWIIM-MWLCHTKSSA-N 339.413 1.707 0 40 EDAB Cc1csc2nc(CN3CCC[C@@H]3Cn3cccn3)cc(=O)n12 69949382 AQCCQGPDHVTPFQ-CQSZACIVSA-N 329.429 1.926 0 40 EDAB NC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1 4741870 FSVXVCJNOQBCBC-UHFFFAOYSA-N 347.421 1.851 0 40 EDAB Cc1nccn1CCCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 69420356 MCWWIOWWZHXCMX-UHFFFAOYSA-N 344.463 1.440 0 40 EDAB O=C(Nc1ccnn1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 69458542 LDXRJCFFLZIVJO-CYBMUJFWSA-N 334.401 1.240 0 40 EDAB Cc1c([C@H](C)NC(=O)C2=NN(C)C(=O)CC2)cnn1-c1ccccc1 69457041 XRGWZYZOXPAZDE-LBPRGKRZSA-N 339.399 1.966 0 40 EDAB CCCCNC(=O)CNc1ccccc1C(=O)N1CCC[C@H](O)C1 69488334 LZEIMXBCIHXPTK-AWEZNQCLSA-N 333.432 1.612 0 40 EDAB CCn1ccnc1CN1CCN(CC2CCN(C(C)=O)CC2)CC1 69442787 YEKNCDQUFVIZSQ-UHFFFAOYSA-N 333.480 1.279 0 40 EDAB COc1ccc(CCOC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 5874820 JUCRMIDJSGNNNS-UHFFFAOYSA-N 346.383 1.646 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@@H]2Cn2cccn2)CN1CC(F)(F)F 69924069 GEJNKJFYMDECKS-NWDGAFQWSA-N 344.337 1.285 0 40 EDAB CC(C)(NC(=O)CNS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 71185940 LPKDRIXRJNSKHO-UHFFFAOYSA-N 339.244 1.894 0 40 EDAB CN(C)c1ccc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)nn1 72299472 ANGIWELUNATMJZ-LBPRGKRZSA-N 328.376 1.780 0 40 EDAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)C1CC1 9419489 JOMVEZWSLTVZMA-GFCCVEGCSA-N 331.250 1.116 0 40 EDAB NC(=O)CC1CCN(C(=O)/C=C/c2ccc3c(c2)OCCCO3)CC1 71793007 AYPSICGAYABGRF-HWKANZROSA-N 344.411 1.975 0 40 EDAB CNC(=O)CN1CCC(CN(C)c2cc(C(F)(F)F)ccn2)CC1 96455788 PTUADRMJNPWPIW-UHFFFAOYSA-N 344.381 1.995 0 40 EDAB COc1ccccc1N1CCN(C(=O)c2c(C)c(C)n[nH]c2=O)CC1 71843893 BEQLLZUIKCVNRV-UHFFFAOYSA-N 342.399 1.358 0 40 EDAB Cc1cc(C)n([C@H](C)C(=O)N2CCN(Cc3ccccn3)CC2)n1 71828053 FUOGFWXGZBEITJ-MRXNPFEDSA-N 327.432 1.800 0 40 EDAB CC(C)n1ccnc1CN1CCCN(C(=O)[C@@H](C)n2cccn2)CC1 71863928 QRPYNPHPTPJWPX-MRXNPFEDSA-N 344.463 1.956 0 40 EDAB CS(=O)(=O)CCN1CCN(C(=O)c2nccc3ccccc23)CC1 71889086 XHDXESYYTFBBSC-UHFFFAOYSA-N 347.440 1.037 0 40 EDAB CCc1nc(CN2CCC[C@@H](NCCC(=O)NC3CCCC3)C2)no1 72269938 RWGQAWMRNLODJN-OAHLLOKOSA-N 349.479 1.635 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1CCC(=O)N(C)C1 71915350 OFOOPYZDPZSHJK-GDBMZVCRSA-N 349.406 1.317 0 40 EDAB Cn1cc(NC(=O)c2nc(Cl)ccc2Cl)c(=O)n(C)c1=O 72292727 WOBDRJSNQCSESG-UHFFFAOYSA-N 329.143 1.038 0 40 EDAB O=C(NCc1nc(-c2cccs2)n[nH]1)C(=O)Nc1cccc(F)c1 72291130 AWODUXZSRUAPIP-UHFFFAOYSA-N 345.359 1.927 0 40 EDAB c1ncn(CCc2nc(-c3ccc(N4CCCCC4)nc3)no2)n1 78774519 VDDIQVJKVLRENQ-UHFFFAOYSA-N 325.376 1.956 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC3(CCCCC3)C2)C1=O 78877439 GDVWNRVZZLMAQJ-KRWDZBQOSA-N 333.432 1.890 0 40 EDAB CN(C)c1ncnc2c1CN(Cc1cnn(-c3ccccc3)n1)CC2 97202571 BQZQFIVAOKKCEJ-UHFFFAOYSA-N 335.415 1.682 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(CCn2cccn2)C1 84304203 IVQAOYRZWKUMSD-HNNXBMFYSA-N 329.452 1.095 0 40 EDAB CC(=O)N[C@H](C(=O)NC[C@@](C)(O)c1cc(C)oc1C)C1CCCC1 78964015 SDGUKQGWHCUZIT-FUHWJXTLSA-N 336.432 1.915 0 40 EDAB Cc1ccc(O)c(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c1 95395484 SZBQFHOGSMRJRM-ZDUSSCGKSA-N 339.395 1.808 0 40 EDAB CC[C@@H](NC(=O)CNS(C)(=O)=O)c1ccc2c(c1)CC(C)(C)O2 95395748 XRKGKXYJOIVGFO-CYBMUJFWSA-N 340.445 1.517 0 40 EDAB CC(C)n1ccc(C(=O)NCc2cccnc2N2CCN(C)CC2)n1 95396457 CBTGWCZIMZSVAO-UHFFFAOYSA-N 342.447 1.541 0 40 EDAB O=C(NCc1cccc2c1OCO2)c1ccc(N2CCOCC2)nc1 95367646 CYTYGXXFGFAQPR-UHFFFAOYSA-N 341.367 1.577 0 40 EDAB CCCc1noc(CN2CC[C@H](N(C)Cc3nnc(C4CC4)o3)C2)n1 84759051 CQWDWJSBCNSICV-ZDUSSCGKSA-N 346.435 1.989 0 40 EDAB Cc1oc2ncnc(NCCS(=O)(=O)NCC3CCC3)c2c1C 95434865 TYFXOPCAGRIGRH-UHFFFAOYSA-N 338.433 1.971 0 40 EDAB O=C(Nc1c(-c2ccco2)nc2ccccn12)[C@@H]1CCS(=O)(=O)C1 95964298 VQQLNMGNKWGYTN-LLVKDONJSA-N 345.380 1.968 0 40 EDAB CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C1CCOCC1 74425252 AAPWQJHPGPFLOA-OAHLLOKOSA-N 330.384 1.847 0 40 EDAB CCc1nc(CN(C(C)=O)[C@H]2CCN(CCc3ccncc3)C2)no1 89290001 SQNXEQYCDKMMMQ-INIZCTEOSA-N 343.431 1.693 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)Nc1cccc(Cn2cccn2)c1 75106723 DNBKQKBOLJMFME-OAHLLOKOSA-N 327.388 1.674 0 40 EDAB Cc1cccc(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)c1C 22517626 XLOUDDWXIRZBMK-KRWDZBQOSA-N 333.476 1.824 0 40 EDAB Cc1ccc(C)n1-c1c(C(=O)N2CC[C@H]([C@H](F)C(=O)O)C2)cnn1C 1548600167 VHSRXHLXPCTVGU-JSGCOSHPSA-N 348.378 1.712 0 40 EDAB O=C(Nc1ncccn1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 408739309 ZLEVQOVSFCDULR-KGLIPLIRSA-N 342.355 1.187 0 40 EDAB O=C(C1CC(F)C1)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306143490 YDLXPFPVGUKZHB-PCKAHOCUSA-N 334.391 1.964 0 40 EDAB CN(C)C(=O)CCNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 36396607 SNJFNVGHHLDJHG-CQSZACIVSA-N 333.388 1.012 0 40 EDAB COc1ccsc1C(=O)NCC(C)(C)N1CCS(=O)CC1 79310563 ZUDOAWQXKUTJLU-UHFFFAOYSA-N 330.475 1.329 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@@H](O)c1cccc2ccccc12 70635972 CXKCMBOTHCOKNL-OAHLLOKOSA-N 326.352 1.138 0 40 EDAB CC(=O)N[C@H](C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C 78879504 SCGVEVKCGSRSQJ-OLZOCXBDSA-N 327.425 1.273 0 40 EDAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCc1cccs1 35598238 HSMSDRQCLBETKD-CQSZACIVSA-N 343.408 1.895 0 40 EDAB CC[C@H](C)[C@H](C(=O)Nc1n[nH]c(-c2ccccc2)n1)n1cnnn1 1565519816 IKZCXBGPEZNHJQ-CMPLNLGQSA-N 326.364 1.684 0 40 EDAB CCc1nc(CNc2cc([C@H]3CN(C(C)=O)CCO3)nc(C)n2)no1 72387916 RSOXYMPEAZVAMO-CYBMUJFWSA-N 346.391 1.262 0 40 EDAB COc1ncc(C2(O)CCN(C(=O)c3cccs3)CC2)c(OC)n1 72337529 WSOVFGBFXRASBK-UHFFFAOYSA-N 349.412 1.679 0 40 EDAB CS(=O)(=O)N1CCC[C@H](c2nccnc2Oc2cccnc2)C1 72361975 AXJRNMVZLMWRQN-LBPRGKRZSA-N 334.401 1.803 0 40 EDAB O=C(c1cc(-c2cccnc2)on1)N1CC[C@H](N2CCOC2=O)C1 606440730 NACZSSNICGEVNW-LBPRGKRZSA-N 328.328 1.403 0 40 EDAB COc1cc(NC(=O)CNC(=O)CSC(C)C)cc(OC)c1 531220260 NQVGSEYHTMAVDT-UHFFFAOYSA-N 326.418 1.900 0 40 EDAB Cn1cccc1C(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225784361 ZQVOQDHUZQZCQI-UHFFFAOYSA-N 326.331 1.371 0 40 EDAB Cc1nc2ccccn2c1C(=O)NCc1nc(-c2cccn2C)no1 225765684 KVBRFBGKKRCWKS-UHFFFAOYSA-N 336.355 1.961 0 40 EDAB Cc1cccc(CN2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)n1 85436183 NUUGVGYFEDGRJE-GOSISDBHSA-N 337.427 1.907 0 40 EDAB biogenic,in-vitro COc1cc(Cl)c(S(=O)(=O)N(C)c2cnccn2)cc1OC 225436407 RJNFIFXKBSNJAE-UHFFFAOYSA-N 343.792 1.972 0 40 EDAB CCc1ncnc(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)c1F 195547742 YNLKJIPGRCSOJV-ZDUSSCGKSA-N 335.427 1.169 0 40 EDAB O=C(NCc1cccnc1)N1CC[C@]2(C[C@H]2C(=O)N2CCCC2)C1 96075010 CWINLSPMFBUNBM-YJBOKZPZSA-N 328.416 1.626 0 40 EDAB CC(C)(CNCc1c(C2CC2)nc2sccn12)NS(C)(=O)=O 96490764 AVQVYDFNLSDTAF-UHFFFAOYSA-N 342.490 1.691 0 40 EDAB O=C(COC1CCCC1)N1C[C@@H]2COC[C@]2(CN2CCCCC2)C1 96207650 PQRCUTFHJTYCHN-APWZRJJASA-N 336.476 1.907 0 40 EDAB O=C(c1cscn1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 96483841 GOWNAKKXGRURNT-UHFFFAOYSA-N 327.413 1.977 0 40 EDAB CCN1C[C@@H]2[C@@H](OC)CCN(C(=O)Cc3ccc4c(c3)OCO4)[C@@H]2C1 96109413 XPPOAWFFIVZXFI-XHSDSOJGSA-N 346.427 1.525 0 40 EDAB Cc1nnc(C[C@H]2C[C@H]3CN(C(=O)Cc4cccs4)C[C@H]3O2)o1 96215880 WBTHQMVHCQIMSU-OUCADQQQSA-N 333.413 1.841 0 40 EDAB c1cnc(N2CCOC[C@]3(CCCN(Cc4cc[nH]n4)C3)C2)nc1 96076537 YUDWJZGOVNXLEE-KRWDZBQOSA-N 328.420 1.319 0 40 EDAB COc1cc(N2CC[C@H]3OCC[C@@H](C(=O)NC(C)C)[C@@H]3C2)ncn1 96043296 PMLRGFHOUPRPTB-HZSPNIEDSA-N 334.420 1.241 0 40 EDAB Cc1occc1C(=O)N1Cc2nccn2C[C@@H](CN2CCOCC2)C1 96188509 SMFNLRJKWKHNQE-OAHLLOKOSA-N 344.415 1.389 0 40 EDAB CCN1CCN(C[C@H](C)CNS(=O)(=O)C2CCCCC2)CC1 96428384 NKZJFCBDIPELFG-OAHLLOKOSA-N 331.526 1.512 0 40 EDAB CN(C)C(=O)COC[C@H]1c2c(ncn2C)CCN1Cc1nccs1 96187716 RGCJISKFVNRPPI-ZDUSSCGKSA-N 349.460 1.081 0 40 EDAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cnns1 583622099 MYBYJHAWAGZJER-QWRGUYRKSA-N 339.396 1.485 0 40 EDAB CC1=NO[C@@H](CNS(=O)(=O)c2ccc(Br)cc2)C1 583652132 ZENIZHGLDRFOQY-SNVBAGLBSA-N 333.207 1.892 0 40 EDAB O=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(Cc3ccsc3)C2)C1 96225597 QTZTVXFIAPWFHH-WMLDXEAASA-N 349.456 1.764 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)N1C[C@H]2CC=CC[C@H]2C1 96439858 SJVOPUFUNQRCIY-GASCZTMLSA-N 341.415 1.494 0 40 EDAB O=C(Cc1cccs1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 247872563 RLDQOLFDRQSBCX-CYBMUJFWSA-N 345.424 1.920 0 40 EDAB CC(C)N1Cc2ccnn2C[C@@H](CNS(=O)(=O)c2ccccc2)C1 247982383 HOFGWMWAALTFKN-HNNXBMFYSA-N 348.472 1.702 0 40 EDAB Cn1nccc1C(=O)N1CCC2(CC1)CO[C@@H](Cc1cncnc1)C2 257231521 GHCVSOWWTDCKMS-HNNXBMFYSA-N 341.415 1.464 0 40 EDAB CS[C@H]1CCC[C@@H](NC(=O)NCC2(OCCO)CCOCC2)C1 252504799 VLRHNXCEXFVEBZ-KGLIPLIRSA-N 346.493 1.518 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1CCO[C@H](CCc2ccncn2)C1 257239362 HOYVFQDNMHMUAM-QGZVFWFLSA-N 343.431 1.311 0 40 EDAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN(C(=O)CN(C)C)C2)n1 257273417 NGMIBZSWSFRRSJ-ZDUSSCGKSA-N 328.420 1.443 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1[C@H](O)c1ccccc1 585127180 SBAVUXPWAVUMKN-BZUAXINKSA-N 337.441 1.536 0 40 EDAB O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@](O)(CN2CCCC2)CC1 257232023 GJBHBKQQMQRQFD-IBGZPJMESA-N 346.475 1.742 0 40 EDAB CN(C)c1nc([C@@H]2CCCNC2)ccc1C(=O)NCc1ccccn1 257308314 TWHCTAJPZAUNKD-CQSZACIVSA-N 339.443 1.940 0 40 EDAB COCC(=O)N1CCC[C@@H]1c1cncc(-c2cncc(C(=O)O)c2)n1 257234874 GVKSZMFUUPRALD-OAHLLOKOSA-N 342.355 1.547 0 40 EDAB Cc1ccn(CCC(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)n1 257337534 YTEMZUREILVEDC-HNNXBMFYSA-N 342.447 1.825 0 40 EDAB Cc1ccn(-c2ccc(C(=O)Nc3ncn(CCN(C)C)n3)cc2)n1 1615615149 UERGROPDRSOCSW-UHFFFAOYSA-N 339.403 1.586 0 40 EDAB COC(=O)c1scc(C)c1S(=O)(=O)NCCc1cnccn1 390221907 QASPWSRQBMCXCV-UHFFFAOYSA-N 341.414 1.154 0 40 EDAB CCOC(=O)NCc1nn(CCN2CCCC2)c(=O)c2ccccc12 96096328 QGMUTNFYROGNCW-UHFFFAOYSA-N 344.415 1.738 0 40 EDAB O=C(c1ccc(O)nn1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575607046 WZYBUJVQIHFLER-JTQLQIEISA-N 335.751 1.309 0 40 EDAB O=C(c1cnccn1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1 575402504 BBFSFLCNIZYPOK-QGZVFWFLSA-N 349.394 1.915 0 40 EDAB CC(C)CC(=O)N1C[C@H]2OC[C@H](CNC(=O)C3CC(F)(F)C3)[C@H]2C1 575405615 SQLDHRGXDJHKAN-BFHYXJOUSA-N 344.402 1.667 0 40 EDAB COc1cc(F)ccc1CC(=O)N1Cc2ccnn2CC[C@H]1CO 585097441 LRWQVHDJTGBCDG-HNNXBMFYSA-N 333.363 1.367 0 40 EDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)c2ccc(OC)c(F)c2)C1 585276508 AXOBPZQSLFWXNS-KRWDZBQOSA-N 338.379 1.328 0 40 EDAB CNc1cnc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H](O)C2)nc1 585278993 JXELJMBUHOEBNV-GDBMZVCRSA-N 326.400 1.584 0 40 EDAB COc1ccc(CN2Cc3ccnn3[C@@H](CNC(=O)N(C)C)C2)cc1 585112901 WKZJEHLGHYLDTJ-INIZCTEOSA-N 343.431 1.720 0 40 EDAB CNc1ncc(CN2CC[C@](COc3ccccc3)(OC)C2)cn1 585278343 QZSHXDJPEYAJFQ-SFHVURJKSA-N 328.416 2.188 0 40 EDAB O=C1CN(CC(=O)N[C@H](c2ccccc2)C2CCCCC2)CCN1 51380236 YPRNVRROSPLVCC-LJQANCHMSA-N 329.444 1.856 0 40 EDAB C[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)OCCO2 53493774 LNAZMRNGCGDACO-NSHDSACASA-N 333.388 1.426 0 40 EDAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCc1n[nH]c(=S)n1C 67051843 WVXXVPIVILHWSK-RYUDHWBXSA-N 332.429 1.949 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N(C)CCc1ccc(Br)cc1 69586595 ULEXKCYXNXVJEC-SNVBAGLBSA-N 342.237 1.768 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)c1ccccc1S(=O)(=O)C(C)C 69558273 HBDNKXRDFAEFDA-UHFFFAOYSA-N 340.445 1.419 0 40 EDAB Cc1cccc(NC(=O)[C@H](C)N2CCC[C@H](CS(N)(=O)=O)C2)c1 69779813 FSPBKHUFBFUTRI-KBPBESRZSA-N 339.461 1.323 0 40 EDAB CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCC(F)(F)F)CS2 85473898 XCAXQQYACIGSOV-MRVPVSSYSA-N 335.351 1.515 0 40 EDAB O=C(c1sccc1-n1cnnn1)N1CCC[C@@H]1Cn1cccn1 71866501 QHLRSFBBIDVNIJ-LLVKDONJSA-N 329.389 1.225 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)CCc3ccccn3)CCO2)n1 78889062 ACCDQMXNTVZHBY-CQSZACIVSA-N 329.404 1.856 0 40 EDAB O=C(O)CNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 2273741 UVFKJRKPUYFYKD-XNTDXEJSSA-N 342.326 1.797 0 40 EDAB O=C(Cn1cccnc1=O)N[C@@H](Cc1ccsc1)c1nccs1 12226983 KEEVLAKCQXATCC-LBPRGKRZSA-N 346.437 1.862 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)Cn3cncn3)C2)c2sccn12 19240758 UTXICFFXIJVXOF-GFCCVEGCSA-N 330.417 1.702 0 40 EDAB Cn1nc(C(=O)N2CCC(Oc3ccccc3F)CC2)ccc1=O 19288490 KQJICPFVNNSSFT-UHFFFAOYSA-N 331.347 1.603 0 40 EDAB Cc1cc2ncc3c(n2n1)CCN(S(=O)(=O)c1ccccc1F)C3 208038065 GGTGWZWVKBWPPE-UHFFFAOYSA-N 346.387 1.924 0 40 EDAB O=S(=O)(N[C@H]1CCCN(c2nc(C3CC3)ns2)C1)C1CC1 1889108832 FBPDARGHGDFQMW-JTQLQIEISA-N 328.463 1.466 0 40 EDAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)c3c(C)nn(C)c3C)C2)nc1 1889119461 PGINCLWDHQGDDI-HNNXBMFYSA-N 342.447 1.876 0 40 EDAB Cc1nc(N2CCN(c3ncncc3F)CC2)cc(-n2cccn2)n1 1889139086 AFTKUZUVIBHBMN-UHFFFAOYSA-N 340.366 1.226 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCO[C@H](c3ccncc3)C2)c1C 1848355388 CHCBQBQEPDLFLR-AWEZNQCLSA-N 336.417 1.369 0 40 EDAB Cn1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1=O 28421737 GRHWJXDEBNLFGI-OAHLLOKOSA-N 329.400 1.935 0 40 EDAB Cn1ccc(CN2CC[C@@H](COc3ccc4nccn4n3)C2)cc1=O 2087018068 JFATYQHVAKMKOM-OAHLLOKOSA-N 339.399 1.329 0 40 EDAB COC(=O)CSc1nncn1NC(=O)Nc1ccc(Cl)cc1 1278861 KDAUGYJAUIWCIF-UHFFFAOYSA-N 341.780 1.972 0 40 EDAB Nn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nncc1=O 4338145 CZAGUSMLVHEJOB-UHFFFAOYSA-N 345.306 1.102 0 40 EDAB O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc(F)cc1 4941317 YTBAEQFJTXDXJJ-AWEZNQCLSA-N 336.363 1.956 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 5353381 HSUIWGMNHIVFCA-AWEZNQCLSA-N 348.399 1.113 0 40 EDAB O=c1[nH]c2ccccc2c(=O)n1CCc1nc(-c2ccccc2)no1 6733020 FWVYXFAPNWDHSW-UHFFFAOYSA-N 334.335 1.983 0 40 EDAB Cc1ccccc1Cn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O 9708630 YRDZEWRWTSRNPD-UHFFFAOYSA-N 338.367 1.914 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@H]21 2055719484 PFODTBIRCUEMQV-OWCLPIDISA-N 329.400 1.684 0 40 EDAB Cc1cc(N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)ncn1 585415952 VAOOROUJMRBCGZ-OKILXGFUSA-N 336.403 1.104 0 40 EDAB CSc1ccccc1C(=O)NCCn1nnc2ccccc2c1=O 225797093 GWKWBMCYHVMNKF-UHFFFAOYSA-N 340.408 1.943 0 40 EDAB COc1cc(OCCN2C(=O)c3ccccc3C2=O)ccc1CN 2299920590 HJXUOJRBEYPPEZ-UHFFFAOYSA-N 326.352 1.829 0 40 EDAB COc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)c(OC)c1OC 13715658 LFQRCBJFIDSJQE-UHFFFAOYSA-N 344.367 1.993 0 40 EDAB CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccncc2Cl)CC1 73010831 JMDQXYTXMFGFAS-LBPRGKRZSA-N 338.839 1.408 0 40 EDAB COCCn1nc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1=O 30057527 CELLEAQJPJCVKA-OAHLLOKOSA-N 327.384 1.697 0 40 EDAB C[C@H](CNC(=O)c1ccn(-c2ccc(F)cc2)n1)N1CCOCC1 30682757 NIKCVFLFJYCOJN-CYBMUJFWSA-N 332.379 1.462 0 40 EDAB COC(=O)c1c(SCC(=O)Nc2ccccc2)nc(=O)[nH]c1C 31618376 MEKGAOFTHBGDIK-UHFFFAOYSA-N 333.369 1.596 0 40 EDAB CC1(C)NC(=O)N(CCCn2nc(-c3ccc(F)cc3)oc2=O)C1=O 40515569 QFYNWDQQWXCUAO-UHFFFAOYSA-N 348.334 1.363 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2COc3ccccc3C2)cc1 40525169 ZVPUJJLDUYCDNI-HNNXBMFYSA-N 345.420 1.958 0 40 EDAB O=C(Cn1cnc2ccc(F)cc2c1=O)NCCCOCC1CC1 36754579 SPYKYBQAVPCRAB-UHFFFAOYSA-N 333.363 1.469 0 40 EDAB CC(C)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 342336 NTVYIMHWMSQHNH-UHFFFAOYSA-N 325.434 1.363 0 40 EDAB NC(=O)[C@H]1CCCN1C(=O)CN[C@@H](c1ccccc1)C(F)(F)F 81344543 RISCMLUSUDRFDV-YPMHNXCESA-N 329.322 1.356 0 40 EDAB Cc1ccc(OC[C@@H](C)NC[C@@H]2CNc3c(C(N)=O)cnn3C2)cc1 69707459 HWVJNFNVEMDGTO-ZIAGYGMSSA-N 343.431 1.389 0 40 EDAB CCOCCN1CCN(Cc2nnnn2-c2c(C)cccc2C)CC1 69738388 ASSGYMCBMNSUTE-UHFFFAOYSA-N 344.463 1.433 0 40 EDAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1ncn[nH]1 8154774 FREDMHUMSABNBG-UHFFFAOYSA-N 339.446 1.123 0 40 EDAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc(=O)[nH]c(O)n1 2638094 PYAWPYSRJQZBNJ-UHFFFAOYSA-N 331.328 1.394 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCN(c3nccs3)CC2)C[C@@H](C)O1 21334951 RMUCGIDXDQFUOO-MGPQQGTHSA-N 338.477 1.289 0 40 EDAB CCCCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2 4882959 UJAOWMSOKDXDKF-UHFFFAOYSA-N 349.416 1.975 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCC(C)C)cc1 6880394 FTLGEGMPLRHUSY-UHFFFAOYSA-N 342.461 1.916 0 40 EDAB CCc1ccc(Cn2nccc2NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 21599929 ZEXMVDWMANVSCP-OAHLLOKOSA-N 347.440 1.867 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100099380 LGKNQHYKNZBIKC-IIAWOOMASA-N 336.457 1.920 0 40 EDAB CN(CC(=O)N(C)[C@H]1CCc2ccccc21)c1ncnc2[nH]cnc12 56405449 OPIWVACPZMTZQO-AWEZNQCLSA-N 336.399 1.935 0 40 EDAB O=C(N1CCN(c2ncccn2)CC1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102804862 HGMKXFCOOPVEFV-QAQJPARQSA-N 342.443 1.457 0 40 EDAB Cc1cccc(N2C[C@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)c1C 22017524 MRVOONZPAIISRB-OAHLLOKOSA-N 343.427 1.380 0 40 EDAB COc1cccc(N2CCN(C(=O)N[C@H](C)Cn3ccnc3)CC2)c1 47027664 ODSHEHVDGLZVOH-OAHLLOKOSA-N 343.431 1.812 0 40 EDAB COc1ccccc1C(=O)NC(=O)COC(=O)c1ccccc1O 9737790 BDMIFNXYULEXHB-UHFFFAOYSA-N 329.308 1.514 0 40 EDAB CN1CCN(C(=O)c2nnc3sc(-c4ccc(F)cc4)nn23)CC1 57354668 ISGJILKHZCSFKY-UHFFFAOYSA-N 346.391 1.380 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)c1ccnc(-n2cncn2)c1 53813218 LNKMUADGQIUBKJ-UHFFFAOYSA-N 338.371 1.775 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccs2)n2ncnc2N1 17831993 NTPGWDVSWHXXHX-CYBMUJFWSA-N 331.401 1.487 0 40 EDAB NC(=O)N1CCC(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1 47648025 HPLRJBZHUZKPJY-OAHLLOKOSA-N 348.447 1.714 0 40 EDAB Cc1nn(C)c2ncc(C(=O)Nc3cccc(-n4cnnn4)c3)cc12 23755327 JASBPXXKQKAPEL-UHFFFAOYSA-N 334.343 1.505 0 40 EDAB Cn1nnc2c1[C@H](COCc1ccncc1)CN(C[C@H]1CCOC1)C2 107723565 VZWVRSRBTLVYAF-CVEARBPZSA-N 343.431 1.363 0 40 EDAB CN(Cc1ccccc1N1CCOCC1)C(=O)C1=NN(C)C(=O)CC1 24191824 DZCNCDFOJVIZIR-UHFFFAOYSA-N 344.415 1.090 0 40 EDAB C[C@H]1CCCCN1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 42946478 AFOIJRWLEZLSMD-LBPRGKRZSA-N 325.434 1.461 0 40 EDAB Cn1ncc2c(N3CCC[C@H](C(=O)Nc4ccccn4)C3)ncnc21 54061155 WJEURFONGZWSRC-LBPRGKRZSA-N 337.387 1.613 0 40 EDAB CC/C(Nc1cccnc1)=C1/C(=O)NC(=S)N(CCOC)C1=O 105210019 CRIXKBNQKOZOMN-VAWYXSNFSA-N 334.401 1.047 0 40 EDAB CCOCCN1CCN([C@H](C)C(=O)Nc2ncccn2)C[C@@H]1CC 106777328 ZSFOIGWOFAAFQT-CABCVRRESA-N 335.452 1.236 0 40 EDAB Cn1cccc1[C@@H]1CCCCCN1C(=O)Cn1ccc(=O)[nH]c1=O 25712208 NXKFZYQEJUNJTA-AWEZNQCLSA-N 330.388 1.019 0 40 EDAB COc1ccnc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 108106602 CFNFOSKWKACSLW-CVEARBPZSA-N 326.400 1.575 0 40 EDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCCC3)C2=O)c(C)[nH]1 27278521 ARZWDGAEKAFYJS-UHFFFAOYSA-N 331.372 1.938 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2ccccc2cc1O 3348376 YZYKZLCKTKRHKS-SNVBAGLBSA-N 330.340 1.936 0 40 EDAB O=C(O)Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 3317080 FSHFGTMTYBLRMG-UHFFFAOYSA-N 349.364 1.886 0 40 EDAB CCOC(=O)N1CCN(C(=O)CNc2ccc(C(C)=O)cc2)CC1 21884495 PNBIWHXYSIWVLO-UHFFFAOYSA-N 333.388 1.602 0 40 EDAB Cc1ccccc1CN(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 44892947 IUCPAGGNHREORV-MDZDMXLPSA-N 327.384 1.064 0 40 EDAB C[C@H]1CCCN(CCNC(=O)COc2ccc3c(c2)CCC(=O)N3)C1 44940209 DQMUJZZPGXLYSW-AWEZNQCLSA-N 345.443 1.798 0 40 EDAB CCN1C[C@H](CN(C)CCC(=O)NC(=O)NC)Oc2ccccc21 44907441 CFSWGHGXMABMPP-ZDUSSCGKSA-N 334.420 1.051 0 40 EDAB CCN(CC)S(=O)(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 58390637 IPXTWTBGJGVHFP-AWEZNQCLSA-N 341.477 1.698 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)c2ccc3c(c2)CCCC3)n1 11130432 YZSBDMGVEOWVNJ-UHFFFAOYSA-N 327.388 1.756 0 40 EDAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc[nH]c1=O 48324506 SMEVBFXBQHJCAW-CYBMUJFWSA-N 333.413 1.240 0 40 EDAB CNc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C(C)C 23115425 BFORDNZUYYKUFT-UHFFFAOYSA-N 327.388 1.568 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)NCCCCN1CCC[C@H](C)C1 70015344 JVOAFSDRXOKRON-HNNXBMFYSA-N 347.525 1.286 0 40 EDAB Cc1nc(-c2ccco2)ccc1C(=O)N1CCN(C[C@H](C)O)CC1 70040944 MXHOJTCEUIUKPV-ZDUSSCGKSA-N 329.400 1.789 0 40 EDAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H](C2OCCO2)C1 69351757 KPCDCQPNVMSVIZ-SNVBAGLBSA-N 333.356 1.738 0 40 EDAB COc1ccccc1NC(=O)[C@H](C)N[C@@]1(C)CCS(=O)(=O)C1 8315151 IGQLZZPIXKBSPX-NHYWBVRUSA-N 326.418 1.189 0 40 EDAB COCCN1CCN(CCCS(=O)(=O)c2ccc(F)cc2)CC1 69876289 ARJBBLIFHVBBKO-UHFFFAOYSA-N 344.452 1.254 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2CC(=O)Nc2nncs2)n1 69841520 BJMZEDJXRYILRE-GFCCVEGCSA-N 335.437 1.240 0 40 EDAB O=C(CN(CCO)CC1CC1)NC[C@H]1CCN(c2ccccc2)C1 64516004 OGVKZXQJHAIMJC-QGZVFWFLSA-N 331.460 1.333 0 40 EDAB Cc1nc2n(n1)C[C@H](NCc1ccccc1N1CCOCC1)CC2 69840688 RKVHQWSXEZDRMT-MRXNPFEDSA-N 327.432 1.528 0 40 EDAB COCc1c(C(=O)OCC(=O)N2CCNC2=O)oc2ccccc12 5199408 ZKORVPOVKNXJED-UHFFFAOYSA-N 332.312 1.288 0 40 EDAB CN1CCCN(C(=O)C2=COCCO2)c2nc3ccccc3nc21 17364326 DWMWRWAIBMFHEN-UHFFFAOYSA-N 326.356 1.691 0 40 EDAB CNS(=O)(=O)C1CCN(CCC(=O)Nc2cccc(F)c2)CC1 69696440 CEDQQJCXMLEPEU-UHFFFAOYSA-N 343.424 1.168 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 69654054 JVEHEDRGRZRMGQ-VOTSOKGWSA-N 340.792 1.883 0 40 EDAB Cc1ncsc1C(=O)NCCNC(=O)c1ccc(F)cc1F 65575166 BHULFNORPAIODV-UHFFFAOYSA-N 325.340 1.890 0 40 EDAB CC(C)CNC(=O)[C@H]1CSCN1S(=O)(=O)c1cccs1 65553796 FBRDTJXODPLVSX-SNVBAGLBSA-N 334.488 1.584 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 69969567 CNZWESVVOCEPOO-ZDUSSCGKSA-N 330.384 1.322 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)O[C@@H](C(N)=O)c1ccccc1 14340240 REUAGOMOUGKNRW-IUIKQTSFSA-N 327.336 1.985 0 40 EDAB CCn1nnc2cc(C(=O)Nn3cnc4ccccc4c3=O)ccc21 14604585 ULEUMNNLZDCTJG-UHFFFAOYSA-N 334.339 1.545 0 40 EDAB CCOC(=O)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 6891701 YXCKYZDFFXKMJP-UHFFFAOYSA-N 333.356 1.929 0 40 EDAB Cc1ccc(OCC(=O)NCCCNC(=O)c2cnccn2)cc1C 4985384 HLGHLAAXHFZMAE-UHFFFAOYSA-N 342.399 1.409 0 40 EDAB O=C(c1n[nH]c(O)n1)N1CCN(Cc2cccc3ccccc23)CC1 80210896 AZIOAWCYNZHERK-UHFFFAOYSA-N 337.383 1.622 0 40 EDAB Cc1ccc(CNC(=O)CN2CCO[C@@H](Cn3cccn3)C2)s1 71185608 SBRQAUIPNPXCEU-CQSZACIVSA-N 334.445 1.270 0 40 EDAB CC1(C)[C@@H](C(=O)Nc2ccc(NS(C)(=O)=O)c(F)c2)[C@H]1C(=O)O 71284936 NFCBHLSAHGNODJ-MNOVXSKESA-N 344.364 1.493 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(CSC(F)F)o2)C1 93531372 NKSPMXPFAHDGKE-SECBINFHSA-N 340.417 1.859 0 40 EDAB C[C@H](C(=O)NCc1ccccc1)[S@@](=O)Cc1cccc(C(N)=O)c1 96404358 LNVUFWJLRVCQCT-YEBMWUKDSA-N 344.436 1.739 0 40 EDAB Cn1c(C2CC2)nnc1S(=O)(=O)Cc1noc(C(C)(C)C)n1 71808750 FRAHAIJPOTUOHW-UHFFFAOYSA-N 325.394 1.347 0 40 EDAB NC(=O)C1CCN(CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 71833185 BSBUTLCOYOCRDW-UHFFFAOYSA-N 344.864 1.701 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC(Nc2cccnn2)CC1 71863422 XWKMEIWIBTXBTL-GFCCVEGCSA-N 340.449 1.093 0 40 EDAB CC(C)(C)C1CCC(O)(CNC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 71898093 DSDHJTQMXKILQV-TUBUQKNSSA-N 345.505 1.895 0 40 EDAB Cn1cnc2c1CCN(CC(=O)N1CCN(c3ccccc3)CC1)C2 71878954 STBJPNKEGLVXAD-UHFFFAOYSA-N 339.443 1.127 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3ccc([S@@](C)=O)cc3)CCO2)n1 83829997 QPVCSWHETIKNFD-RZFZLAGVSA-N 348.428 1.318 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3Cc4ccccc4S3)CCO2)n1 83829843 AWQUFDJYNIIHEO-JSGCOSHPSA-N 344.440 1.984 0 40 EDAB NC(=O)[C@H]1CN(c2cnc3cc(Cl)c(Cl)cc3n2)CCO1 97082429 TYSLZTHBZONJPN-LLVKDONJSA-N 327.171 1.627 0 40 EDAB O=C1C[C@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CN1 97084802 FARPOHQEWLKSSL-VIFPVBQESA-N 338.289 1.966 0 40 EDAB O=C(c1cnc(-c2ccccc2F)s1)N1CCN(CCO)CC1 75572793 SDEGPMIHGKWZJM-UHFFFAOYSA-N 335.404 1.699 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3nc4ccccc4o3)CCO2)n1 75604937 KKVLKFGEWOZQBP-AWEZNQCLSA-N 327.388 1.937 0 40 EDAB C[C@@H](C(=O)NCCc1cccs1)N1CCC[C@@H]1Cn1cncn1 72267525 LLCMPABEDLDLIC-UONOGXRCSA-N 333.461 1.551 0 40 EDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCN([C@H](C)c2cccnc2)CC1 76040511 NISCCQJZSJUFNG-OLZOCXBDSA-N 344.381 1.827 0 40 EDAB OCCn1ncc2c(N3CCO[C@@H](c4ccccc4)C3)ncnc21 97199914 RULWAVWLSREQBX-OAHLLOKOSA-N 325.372 1.397 0 40 EDAB Cc1nn(C)c2sc(C(=O)N[C@H]3CCc4nnc(C)n4C3)cc12 97198656 JKMVUJFBOMLHSJ-JTQLQIEISA-N 330.417 1.588 0 40 EDAB O=C(NC1CCN(S(=O)(=O)CCCF)CC1)c1ccc(F)cc1 72313156 WTIVQFAEQCEEFX-UHFFFAOYSA-N 346.399 1.709 0 40 EDAB Cn1nc2c(cc1=O)CN(Cc1nnc(Cc3ccccc3)o1)CC2 72302449 UITYVCLQLFWENX-UHFFFAOYSA-N 337.383 1.312 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCc1ccnc(OC)c1 97299710 ZGVFFIOVMDCYNK-CLUXPMKYSA-N 349.456 1.964 0 40 EDAB CC(C)(C(=O)NCC(=O)NCCO)c1cccc(C(F)(F)F)c1 84370371 WUZKSQPTIZYYNH-UHFFFAOYSA-N 332.322 1.208 0 40 EDAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-n2cnnc2)cc1 97372720 YLWRRBVWLPEKTO-UHFFFAOYSA-N 334.339 1.367 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)CCn2cncn2)C1=O 95398146 CKUGJXYVWGLZTQ-CQSZACIVSA-N 345.378 1.428 0 40 EDAB CCn1cc(S(=O)(=O)Nc2ccc(OCCOC)nc2)nc1C 95453615 BLULPAPDPYORPR-UHFFFAOYSA-N 340.405 1.432 0 40 EDAB CS[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2cccs2)C[C@@H]1N(C)C 95444681 YWZPVYZAAANHRA-GMXVVIOVSA-N 341.502 1.370 0 40 EDAB O=C(c1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1)N1CCCC1 85253676 WWELUBCVHUWDCN-UHFFFAOYSA-N 333.775 1.474 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)Nc2ccc([S@](C)=O)c(F)c2)c1C 95991189 GAKONOCOEFASHW-HSZRJFAPSA-N 337.376 1.526 0 40 EDAB O=C(c1ccccc1)N1CC(S(=O)(=O)NCc2ccccn2)C1 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O=C(Nc1c[nH]nc1-c1nccs1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 560423427 IFABFGZGQKEVIO-CNVPUSNMSA-N 329.385 1.950 0 40 EDAB Cc1nc(CC(C)C)c(NC(=O)N2CC(S(C)(=O)=O)C2)s1 563222920 ZVQQBQFKIZQLKF-UHFFFAOYSA-N 331.463 1.911 0 40 EDAB NC[C@H](C(=O)N1CCC(OC2CCOCC2)CC1)c1ccccc1 225471882 IADAYFUANLHLQL-SFHVURJKSA-N 332.444 1.916 0 40 EDAB CNC(=O)c1ccc(NC(=O)NC2CCN(CC(F)F)CC2)cc1 61747819 KXVKGWKPVWJJKE-UHFFFAOYSA-N 340.374 1.897 0 40 EDAB CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)C1 225411083 WDXDXCQVGZYVLZ-GAURVVSWSA-N 332.404 1.894 0 40 EDAB COc1ccccc1N1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 225508699 PAONIAXWYCBYLG-CQSZACIVSA-N 340.427 1.872 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)CCC3)c(C)o1 81677857 FHDIPWWJXWAHSP-UHFFFAOYSA-N 348.424 1.915 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](Oc2cnccn2)C1 225469595 VAXKVHGSCMYKCV-ZDUSSCGKSA-N 327.340 1.889 0 40 EDAB O=C(CCN1CCCS(=O)(=O)CC1)Nc1cc(F)cc(F)c1 96443343 PKDDPRXQADPIPO-UHFFFAOYSA-N 332.372 1.414 0 40 EDAB O=C(c1ccco1)N1C[C@H]2C(=O)N(Cc3cccnc3)CC[C@H]2C1 96082004 MHZPEOBDFSBPEY-LSDHHAIUSA-N 325.368 1.795 0 40 EDAB CN1CC[C@H](NC(=O)NCc2ccc(Br)cc2F)C1=O 96415508 DBIMWNBPMAGEBY-NSHDSACASA-N 344.184 1.618 0 40 EDAB Cn1nccc1C(=O)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1 96209655 WZXNRJKJNUOQRL-RDTXWAMCSA-N 341.415 1.691 0 40 EDAB CCCS(=O)(=O)NC[C@@H]1Cn2nnc(-c3ccccc3)c2CO1 96069434 BPUAXVQEIDMPLU-CYBMUJFWSA-N 336.417 1.173 0 40 EDAB CCS(=O)(=O)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238788 VDCSSJQJTCWVRD-OAHLLOKOSA-N 326.393 1.604 0 40 EDAB O=C(c1cnccn1)N1C[C@@H](OCc2ccccn2)[C@@H]2OCCC[C@@H]21 96058158 UDNCOSYQUGYUHC-GVDBMIGSSA-N 340.383 1.460 0 40 EDAB CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H](C)Cn2ccnc2)C1 96420657 LRQQRDDUWQXLNP-GJZGRUSLSA-N 335.452 1.465 0 40 EDAB O=C(c1ccco1)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 96215182 JTEUUYURGVFSCF-CYBMUJFWSA-N 344.371 1.120 0 40 EDAB Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N(C)C[C@H](O)CO 95455688 NIKKFBFAGCHQAT-JTQLQIEISA-N 349.861 1.837 0 40 EDAB O=C(N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)C(F)(F)C1(O)CCCCC1 583621162 ISVCSYBAGIJYCZ-BFHYXJOUSA-N 347.402 1.705 0 40 EDAB Cc1cccn(CC(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1=O 583621345 UASFATIIIXKISK-HOTGVXAUSA-N 330.359 1.630 0 40 EDAB C[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)[C@@H]1CCCCN1 583651098 FKQQJWQVRDGWRU-YJBOKZPZSA-N 331.460 1.779 0 40 EDAB O=S(=O)(C[C@H]1CCCCO1)c1nncn1CCc1cccs1 96451904 BBLRCHDNPVPYJT-GFCCVEGCSA-N 341.458 1.925 0 40 EDAB CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(CO)C(=O)O 242548268 LGOUXUNGDMLODC-UMNHJUIQSA-N 349.202 1.023 0 40 EDAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H]1CO[C@H]2C=CC=C[C@@H]2O1 247986669 ZNJLBBPXCGRSGZ-QAETUUGQSA-N 327.384 1.557 0 40 EDAB CCn1cc(CN2CCC[C@H]2c2nccc(CNC(C)=O)n2)c(C)n1 257278543 OCQQBHZMNVKOOM-KRWDZBQOSA-N 342.447 1.975 0 40 EDAB O=C(C[C@@]1(O)CCCN(Cc2ccccc2)C1)NN1CCCCC1 585088697 VFRIFBZQTNZSSD-IBGZPJMESA-N 331.460 1.921 0 40 EDAB CCn1cc(S(=O)(=O)N2CCOc3c(F)ccc(F)c32)cn1 585090282 XCUVUFZXMRRENV-UHFFFAOYSA-N 329.328 1.769 0 40 EDAB O=C(C1=Cc2ccccc2OC1)N1CC[C@](O)(CN2CCCC2)C1 257325552 WTLZIWSRDIVIHL-IBGZPJMESA-N 328.412 1.522 0 40 EDAB Cc1nc([C@@H]2CCN2S(=O)(=O)c2ccccc2)cc(N(C)C)n1 257302808 SENWNXMLVVEKRV-HNNXBMFYSA-N 332.429 1.987 0 40 EDAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2cnn(C)c2)ccn1 257344504 ZXPYGTKOILXXEB-INIZCTEOSA-N 327.388 1.429 0 40 EDAB Cc1c[nH]c([C@@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257263743 LRFTWEPKDNGCQA-AWEZNQCLSA-N 329.356 1.703 0 40 EDAB c1cnc(OCC[C@H]2CCOC3(C2)CN(c2ncccn2)C3)nc1 253588914 YSYQUPHBQNOBMY-AWEZNQCLSA-N 327.388 1.721 0 40 EDAB Cn1nccc1C(=O)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257222184 DSHLHENYCGUXGS-GFCCVEGCSA-N 326.360 1.536 0 40 EDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cnc(C)cn1 257242200 IBMORRCVGDEALM-JXSMBQFASA-N 328.416 1.789 0 40 EDAB Cc1ncncc1C(=O)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 257246888 IWHJEXUKVLGPIM-QZTJIDSGSA-N 338.411 1.029 0 40 EDAB O=C([C@H]1CN(c2ccc(F)cc2)CCN1)N1CCC(F)(F)CC1 257331823 XUKKOVKPBDMOKW-CQSZACIVSA-N 327.350 1.862 0 40 EDAB CC(C)(C)c1nc(C(=O)N[C@@H](C(=O)O)[C@H](O)c2ccncc2)cs1 1615003200 HBFNCTXUBSRFCS-VXGBXAGGSA-N 349.412 1.752 0 40 EDAB COC(=O)c1cncc(CNS(=O)(=O)[C@@H]2C[C@@H]2c2ccccc2)c1 1615585364 CSRDDRFTYAWFTE-HZPDHXFCSA-N 346.408 1.844 0 40 EDAB CC1(C)CN(c2nnnn2Cc2ccc(CC(N)=O)cc2)CCS1 1616031793 AOMHTGRAOPBICH-UHFFFAOYSA-N 346.460 1.081 0 40 EDAB O=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)c2ccccc2)C1 96122124 ALHLHMRFHJGHKU-UHFFFAOYSA-N 341.410 1.268 0 40 EDAB Cc1c(C(=O)N2CC[C@H](Cc3ccccc3F)[C@H](O)C2)cnn1C 585279982 UWSJAZGUGIGTET-RHSMWYFYSA-N 331.391 1.933 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(CC3(O)CCOCC3)CCO2)c1 585278896 WPLPUWIOIIUIIP-LJQANCHMSA-N 335.444 1.142 0 40 EDAB CCCS(=O)(=O)N1Cc2ccnn2[C@H](CCN2CCCC2)C1 585111781 BSIHYCXKXPXOPY-OAHLLOKOSA-N 326.466 1.466 0 40 EDAB CCc1cccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 58245347 YJDOKEWAFBYLNH-MRXNPFEDSA-N 345.443 1.368 0 40 EDAB CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1 58267104 KKZICJREXHUOEP-LBPRGKRZSA-N 346.449 1.804 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)C(N)=O)c(Br)c1 57051017 MREMKZKUYVXQQN-VIFPVBQESA-N 343.221 1.905 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(Cc3cccnc3)CC2)cn1 71841317 OXEOMRVJTYRCSJ-IAGOWNOFSA-N 325.416 1.263 0 40 EDAB CNC(=O)c1cnc(/C=C/c2ccc(OC)c(OC)c2Cl)[nH]c1=O 71883948 ZGGFIOMZTIIHNQ-FNORWQNLSA-N 349.774 1.971 0 40 EDAB CCc1cc(NC[C@@H]2CCS(=O)(=O)C2)nc(-c2ccncc2)n1 68663007 YJWVAFQTUMXPCI-LBPRGKRZSA-N 332.429 1.948 0 40 EDAB O=C(CN1CCCN(Cc2ccccc2F)CC1)Nc1nncs1 68973243 GEMDUXUIVRDEIF-UHFFFAOYSA-N 349.435 1.824 0 40 EDAB CC(C)c1nc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cs1 69351858 ULAPSNBGACGEEU-UHFFFAOYSA-N 345.471 1.905 0 40 EDAB COCCN1CC[C@@H](CNC(=O)NCc2cc(F)ccc2F)C1 69566813 CSOYLFXXOICCCI-LBPRGKRZSA-N 327.375 1.732 0 40 EDAB Cc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)c(=O)[nH]1 75118358 LEAXBRHCSOPJDG-UHFFFAOYSA-N 341.411 1.446 0 40 EDAB O=C(c1cccnc1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 13266155 GYDRSOMWLJJTCH-UHFFFAOYSA-N 334.339 1.233 0 40 EDAB Nc1cc(-c2cccs2)nn(CC(=O)NCc2ccco2)c1=O 19342362 AMDYBRIATHLBFJ-UHFFFAOYSA-N 330.369 1.463 0 40 EDAB CCCCN(C)S(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2 4941021 XEVFFKDGFJAPIG-UHFFFAOYSA-N 342.417 1.207 0 40 EDAB O=S(=O)(NC1CN(c2cnccn2)C1)c1ccc(Cl)s1 1256541355 KXLHXUIPOIXBKV-UHFFFAOYSA-N 330.822 1.359 0 40 EDAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)NC[C@@H]1CCCO1 38756843 NWAUESOOBKQGRE-RYUDHWBXSA-N 349.456 1.454 0 40 EDAB CC(C)c1cc(NC(=O)CN2CCN(c3ncccn3)CC2)on1 40473293 TXXPDGSTKRMQLY-UHFFFAOYSA-N 330.392 1.349 0 40 EDAB CC(C)n1nc(C(=O)N2CCN(CC(F)(F)F)CC2)ccc1=O 2086834572 MNMZNMGEAJEWLG-UHFFFAOYSA-N 332.326 1.144 0 40 EDAB COc1cnc(O[C@H]2CCN(Cc3nnc([C@H]4CCOC4)o3)C2)nc1 2086968364 GUHKDMPUIZSRRA-RYUDHWBXSA-N 347.375 1.025 0 40 EDAB CCOc1ccc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)cc1 1565522288 FTOYVWAQSGQBPF-UHFFFAOYSA-N 344.346 1.503 0 40 EDAB Cc1ccc(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c(C)c1 4248605 HOIJPZQSYXLBRJ-UHFFFAOYSA-N 337.383 1.601 0 40 EDAB CCC(=O)NCCOc1ccc2nnc(-c3ccc(OC)cc3)n2n1 13525287 HOCSGDXDAYZGKY-UHFFFAOYSA-N 341.371 1.705 0 40 EDAB c1csc(CN[C@H]2CCc3onc(CN4CCOCC4)c3C2)n1 2055734905 WZNYITAYCCCJMY-LBPRGKRZSA-N 334.445 1.610 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2ccc(F)c(F)c2)C1 2055772848 MVKNQLGNMFACQK-KRWDZBQOSA-N 334.370 1.899 0 40 EDAB Cc1c(C(=O)N(C)C2CN(c3cnccn3)C2)cnn1-c1ccccc1 1775972551 KMTZVIQOOSKWLJ-UHFFFAOYSA-N 348.410 1.932 0 40 EDAB O=C(Nc1nccs1)C(=O)N1CCN(Cc2ccccc2)CC1 23105429 XXFVEFUUIGFCHL-UHFFFAOYSA-N 330.413 1.426 0 40 EDAB Cn1cnc2ncnc(N3C[C@H]4CN(c5ncccc5F)C[C@@H]4C3)c21 2086865308 IIAVXEMYNGDBRC-VXGBXAGGSA-N 339.378 1.470 0 40 EDAB CN(C)c1ccnc(N2CCN(c3ncnc4ncccc34)CC2)n1 2086889549 RRFZBGNPDUSHHJ-UHFFFAOYSA-N 336.403 1.207 0 40 EDAB O=S(=O)(c1cccnc1)N1CCC(c2nnc(C3CC3)o2)CC1 38904834 JZQQNUTWBZZZIT-UHFFFAOYSA-N 334.401 1.910 0 40 EDAB COc1cn(CC(=O)NCc2ccccc2Cl)c(CO)cc1=O 12230826 SZOXBRLFCRLGDP-UHFFFAOYSA-N 336.775 1.319 0 40 EDAB NCCn1nc([C@H]2CCN(C(=O)c3ccccc3)C2)c2nccnc21 19368651 NDIZNYOHQBDYHD-AWEZNQCLSA-N 336.399 1.415 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(=O)O 207716388 MQXBCBVPCOSUBF-SJKOYZFVSA-N 343.383 1.526 0 40 EDAB C[C@H]1CN(CCNC(=O)c2cncn2-c2ccc(F)cc2)C[C@H](C)O1 40047530 DDADAWMNCDAWGT-KBPBESRZSA-N 346.406 1.850 0 40 EDAB NC(=O)CN1CCC(NC(=O)Cc2ccc3c(c2)CCCC3)CC1 40493953 ODAOTKRWEIJBNQ-UHFFFAOYSA-N 329.444 1.174 0 40 EDAB CCOc1ccc(OC[C@H](O)Cn2c(C)cc(=O)n3ncnc23)cc1 40498022 WGOGGSJZBUBGPE-CYBMUJFWSA-N 344.371 1.038 0 40 EDAB COc1ccc(C2(C(=O)N3CCO[C@H](C(N)=O)C3)CCCCC2)cc1 50842198 ZHFDOIADQVZTDH-INIZCTEOSA-N 346.427 1.610 0 40 EDAB CCOc1cccc2c1OCC(C(=O)NCCN1CCOCC1)=C2 40529828 HYNKTNCFQSJHRE-UHFFFAOYSA-N 332.400 1.310 0 40 EDAB Cc1nnc2ccc(N3CCC[C@H](C(=O)NCc4ccco4)C3)nn12 32093944 URQZLJRHRBVHSK-ZDUSSCGKSA-N 340.387 1.559 0 40 EDAB COc1ccc(OCC(=O)N2CCN(c3cnccn3)CC2)cc1 11544188 GFBLSAKNYZFBIK-UHFFFAOYSA-N 328.372 1.213 0 40 EDAB CNC(=O)C1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 29163488 RJBATYWQFSNRKB-GFCCVEGCSA-N 349.431 1.447 0 40 EDAB C[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 101222005 DMQOPCLCOLGWJA-QEJZJMRPSA-N 343.379 1.976 0 40 EDAB COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@H]1CCO[C@H]1O2 2029393 WPCVRWVBBXIRMA-RBHXEPJQSA-N 330.292 1.737 0 40 EDAB endogenous,in-man C[C@@H]1CN(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)O1 20939082 HIHHEVCPQVCIIZ-NUJGCVRESA-N 331.460 1.486 0 40 EDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(Br)cc1 2501286 REHSLUFXKBKNMB-LLVKDONJSA-N 327.178 1.683 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)N3CCOC[C@@H]3C)ccc2c1=O 32652176 AEBRCFHBJKVMAO-NSHDSACASA-N 331.372 1.132 0 40 EDAB CCN1CCN(C(=O)Nc2c[nH]c3ccc(OC)cc3c2=O)CC1 4907639 UBEVXJGLTWVHFC-UHFFFAOYSA-N 330.388 1.706 0 40 EDAB NS(=O)(=O)c1ccc(OCCOC(=O)c2ccccc2O)cc1 7193333 OXSHOHIXBAVEBD-UHFFFAOYSA-N 337.353 1.275 0 40 EDAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NCCc1ccco1 101413391 PQLPHXUUNBUVKA-AWEZNQCLSA-N 327.340 1.729 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccncc2)o1 32954937 DLRBBPGVTFBHKC-LBPRGKRZSA-N 335.385 1.560 0 40 EDAB O=C(O)C[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)C(=O)O 11990432 FBCALHOMQXCFQW-QMMMGPOBSA-N 329.234 1.988 0 40 EDAB COc1ccc(OC)c(N2C[C@@H](C(=O)NC[C@H]3CCOC3)CC2=O)c1 41367013 HFFJTAWHDXGMQU-OLZOCXBDSA-N 348.399 1.209 0 40 EDAB COc1ccc(-c2nc(CNC(=O)Nc3nncs3)n[nH]2)cc1 69778057 RIZTZWHRKLIEQI-UHFFFAOYSA-N 331.361 1.654 0 40 EDAB CC(C)C[C@H](C(=O)Nn1cnnc1)N1C(=O)c2ccccc2C1=O 544697 PYGXNZKCXFOZKY-CYBMUJFWSA-N 327.344 1.059 0 40 EDAB Cc1cc([C@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)on1 53165897 AUVOJJDROQMLHQ-PXAZEXFGSA-N 346.387 1.367 0 40 EDAB O=C(/C=c1/[nH]c(=O)/c(=C\c2ccc(F)cc2)s1)c1ccncc1 103409451 VIDLCRFDUIJBPL-TYVLLQCESA-N 326.352 1.463 0 40 EDAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCn1ccnc1 22326782 WDCDOGCSOMMEED-CQSZACIVSA-N 330.413 1.893 0 40 EDAB Cc1ccc2nc(C)c(C(=O)N(C3CC3)[C@@H]3CC(=O)NC3=O)cc2c1 104110978 CGZAGPFKVCGMGL-MRXNPFEDSA-N 337.379 1.871 0 40 EDAB Cc1cccc(C)c1OCCNC(=O)CSc1nnnn1C1CC1 47201243 HOJZZULYJSCGEB-UHFFFAOYSA-N 347.444 1.912 0 40 EDAB CC(=O)Oc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 815569 CYWVSBUCHDHHSJ-UHFFFAOYSA-N 342.351 1.803 0 40 EDAB O=C(NCCN1CCCS1(=O)=O)c1cc(Cl)cc(Cl)c1 61598905 ZMYTXHQSWUYPJP-UHFFFAOYSA-N 337.228 1.759 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2csc(C)n2)CC1 42360556 FBQADCDMYOUNMX-HNNXBMFYSA-N 336.461 1.107 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC(N2CCNC2=O)CC1 54318416 PUWWWUYDGDSSRM-UHFFFAOYSA-N 345.399 1.017 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2cc(Cl)c(Cl)n2C)CC1 47537855 FUPADOXXVLWIHT-UHFFFAOYSA-N 347.246 1.272 0 40 EDAB COC(=O)Cc1nc(NC(=O)c2ccccn2)sc1C(=O)OC 61718519 PROBVEABZWGBQT-UHFFFAOYSA-N 335.341 1.293 0 40 EDAB Cc1nc2sccn2c1/C=c1\s/c(=C/C(=O)C(C)(C)C)[nH]c1=O 105740360 CGXWTZJJRRDVEW-JKNYEHFOSA-N 347.465 1.679 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)c2ccc3ccccc3n2)CC1 24776856 ZOSGWLJXRBTVQP-UHFFFAOYSA-N 333.413 1.342 0 40 EDAB CCCc1noc(CCC(=O)Nc2ccc(-n3cncn3)nc2)n1 24892820 GEQBMGHVAUQLHY-UHFFFAOYSA-N 327.348 1.569 0 40 EDAB CCC(CC)[C@@H](CNC(=O)Nc1cc(C)nn1C)N1CCOCC1 43434055 QPWNPDSLNWGVEG-OAHLLOKOSA-N 337.468 1.987 0 40 EDAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2)n2nnnc2N1 1465257 MQFHGVUFNDWZPC-HNNXBMFYSA-N 333.355 1.996 0 40 EDAB COc1ccccc1CCNC(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 101969237 IFGDHRCJPSBIJT-FZNQNYSPSA-N 343.431 1.847 0 40 EDAB CC(=O)NCCNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 25459214 JPOPYWIGPYVTMT-UHFFFAOYSA-N 338.367 1.998 0 40 EDAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=S)S[C@H]1CC(=O)NC1=O 100367882 WTLZYWLCZTTYDO-CMPLNLGQSA-N 347.421 1.501 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CN1CCN(Cc2ccccc2)CC1 26250748 JNBPMTRFEFVELC-UHFFFAOYSA-N 341.459 1.196 0 40 EDAB O=C(COc1ccccc1)NC(=S)Nc1ccc(O)c(C(=O)O)c1 20153590 OMCYRQJGXYSUMO-UHFFFAOYSA-N 346.364 1.982 0 40 EDAB CCS(=O)(=O)NCc1cc(Br)c(OC)c(OC)c1 58291459 MSFTZTCNEKCCSU-UHFFFAOYSA-N 338.223 1.906 0 40 EDAB COc1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)ccc1OCC(N)=O 58264933 PQSAZFVROUAYRW-KGLIPLIRSA-N 348.399 1.343 0 40 EDAB COc1nc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc2ccccc12 58265470 XLJNWTMXMAKDMT-LLVKDONJSA-N 334.397 1.408 0 40 EDAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2C)C1=O 2106408 GSWMHTQLIYNGRJ-LRDDRELGSA-N 341.411 1.861 0 40 EDAB biogenic C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 44942218 AXFFIYZNNIIAAD-ILXRZTDVSA-N 346.493 1.512 0 40 EDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccc1)C2=O 3319983 ZJBLEGSICPSKQY-UHFFFAOYSA-N 329.400 1.804 0 40 EDAB CC1(C)NC(=O)N(CCn2nnc(-c3ccc(Cl)cc3)n2)C1=O 28008218 OBXNIUFKXPJTPW-UHFFFAOYSA-N 334.767 1.324 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NC)c1 45163985 YJIYWGLZLIZHNO-UHFFFAOYSA-N 349.250 1.839 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2O)cc1 45677786 NUZPIDVTIOQCHJ-UHFFFAOYSA-N 334.397 1.371 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)Nc2nc3c(s2)CCC3)C1=O 48252801 INKMBDXGJQQKEN-UHFFFAOYSA-N 336.417 1.681 0 40 EDAB C[C@@H](Oc1ccc(Br)cc1F)C(=O)N1CCNC(=O)C1 48315562 UYVIFELLFNJNPI-MRVPVSSYSA-N 345.168 1.314 0 40 EDAB O=C(NCCCNC(=O)c1ccco1)c1nc2ccccc2c(=O)[nH]1 20727736 HRVPVAKYLGJTJF-UHFFFAOYSA-N 340.339 1.066 0 40 EDAB O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCCC1 3445263 IOZMKDRTVRGXNI-UHFFFAOYSA-N 340.420 1.849 0 40 EDAB C[C@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(N)=O 3468916 VLYBGHARCCLNJD-NSHDSACASA-N 337.335 1.416 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)NC3CCCCCC3)nc2n1 3542201 ZRXRGTYIGBUFDL-UHFFFAOYSA-N 345.403 1.737 0 40 EDAB CC[C@@]1(C)NC(=O)N(C[C@@H](O)COCc2ccc(Cl)cc2)C1=O 12917181 RKXFOJKTRHTPHQ-CZUORRHYSA-N 340.807 1.938 0 40 EDAB Cc1nc2n(n1)C[C@@H](Nc1ncnc3c1nnn3-c1ccccc1)CC2 70040217 FRDPGOUOXYFWKC-LBPRGKRZSA-N 347.386 1.537 0 40 EDAB CCOC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=C1SCC(=O)N12 4077898 UVGHDRGQXQVMNW-IOASZLSFSA-N 332.381 1.961 0 40 EDAB CN(C(=O)COc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 4040357 REIPHTGMKYBIFL-OAHLLOKOSA-N 333.409 1.864 0 40 EDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(C(=O)NC)nc1 69493146 VRFZAUQXUGYIBN-HOTGVXAUSA-N 330.432 1.530 0 40 EDAB Cc1ccc(C)c(OCC(=O)Nc2cccc(NS(N)(=O)=O)c2)c1 39558336 QWTYAQHPPLNGDG-UHFFFAOYSA-N 349.412 1.936 0 40 EDAB O=C(O)[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(Cl)cc1 6125867 UVYBNOUSAZKNAN-NSHDSACASA-N 329.765 1.037 0 40 EDAB O=Cc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 6225435 PXKDBEGCRDOXLR-UHFFFAOYSA-N 341.319 1.701 0 40 EDAB CCN(CC)CCn1c(S[C@H](C)C(N)=O)nc2ccccc2c1=O 6370154 XQMPRHWQKPIABW-GFCCVEGCSA-N 348.472 1.704 0 40 EDAB Cn1nc(C(=O)N2CCCN(Cc3ccccc3F)CC2)ccc1=O 69568363 ZGCHMACAAMCVPE-UHFFFAOYSA-N 344.390 1.268 0 40 EDAB Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)c1cccs1 65553488 JBVPHVYDGSZIAG-UHFFFAOYSA-N 347.488 1.862 0 40 EDAB C[C@H](c1ccc(F)cc1F)N1CCN(CCC(=O)NC(N)=O)CC1 69557899 VQCMWYQIVFLKRE-LLVKDONJSA-N 340.374 1.228 0 40 EDAB C[C@H](c1cccc(F)c1)N1CCN(c2cncc(C(N)=O)n2)CC1 91629004 YPTSEPCVLMZFRR-GFCCVEGCSA-N 329.379 1.598 0 40 EDAB CN(CCOc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 14199606 ZPPPFKNSYUDPGI-UHFFFAOYSA-N 349.412 1.877 0 40 EDAB C[C@H]1Oc2ccc(NC(=O)CNC(=O)c3cccs3)cc2NC1=O 14167134 GLYBSBCSZMLVAV-SECBINFHSA-N 345.380 1.836 0 40 EDAB O=C(NS(=O)(=O)c1cccs1)c1cccc2c1OCCO2 65642880 RVDTZSRGUXETOL-UHFFFAOYSA-N 325.367 1.638 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@H](OC)c3ccccc3)CC2)n1 65625502 BLDOAGWEZJEFHU-MRXNPFEDSA-N 342.399 1.522 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N[C@@H]2CCCN(Cc3noc(C)n3)C2)no1 69624565 PKFLTLIHIRFFEP-WCQYABFASA-N 348.407 1.256 0 40 EDAB COCCNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 14228096 YPWZXVTXTPBBRF-UHFFFAOYSA-N 328.368 1.971 0 40 EDAB CC1(C)Cc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c(O)c2O1 69621641 LVJZKNDVFLUUIE-JTQLQIEISA-N 325.386 1.023 0 40 EDAB O=C(CSCc1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 18708933 IROQFADSJAOEPZ-GFCCVEGCSA-N 333.862 1.877 0 40 EDAB Cc1nn(CC(=O)N(C(C)C)C(C)C)c(C)c1S(=O)(=O)N(C)C 7024339 VQBOWBKQGXEERR-UHFFFAOYSA-N 344.481 1.396 0 40 EDAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NC(C)C 9112451 GDUWHSKVUUKHCG-UHFFFAOYSA-N 342.465 1.305 0 40 EDAB CC(=O)N1C(=O)[C@@]2(N=C(N)NC(Nc3ccccc3)=N2)c2ccccc21 19327602 RBCNWVZVIMUULL-GOSISDBHSA-N 348.366 1.119 0 40 EDAB O=C(N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)N1CCOCC1 96002622 BTHPJRIJDSPNQB-CQSZACIVSA-N 345.378 1.441 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 19810326 KYSYTSPUGSGXJC-UHFFFAOYSA-N 340.489 1.985 0 40 EDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 71797420 AILMECVNKWSZLO-BBRMVZONSA-N 332.375 1.737 0 40 EDAB CCN1CCN(CCCCNC(=O)N2CCSC(C)(C)C2)CC1 83646170 XZHFQDTZVQIZKF-UHFFFAOYSA-N 342.553 1.941 0 40 EDAB CCn1cc(NC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)ccc1=O 96454079 MNUMLINYBGIZKL-NSHDSACASA-N 346.353 1.969 0 40 EDAB C[C@@H]1CN(C(=O)NCCCNC(=O)c2ccc(F)cc2)C[C@@H](C)O1 71897808 AXXNDORPKZGHRU-CHWSQXEVSA-N 337.395 1.764 0 40 EDAB Cc1cc(-c2nnn(C[C@@H](O)CN3C[C@H](C)O[C@H](C)C3)n2)ccc1F 71841217 YMDDCUAOYPMHDR-GUTXKFCHSA-N 349.410 1.258 0 40 EDAB C[C@@H](C(=O)NCc1cccs1)N(C)CC1CCN(CCO)CC1 71871553 HDPFCGDHZQGLRH-AWEZNQCLSA-N 339.505 1.389 0 40 EDAB CN(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cn1 71820985 FQMVCKRDLUWZTJ-OAHLLOKOSA-N 330.432 1.526 0 40 EDAB O=S(=O)(CCN1CCN(Cc2ccco2)CC1)c1ccccc1 71873497 PIFGPEMHZRUCKB-UHFFFAOYSA-N 334.441 1.871 0 40 EDAB Cc1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)s1 71927910 UNZKKUCOGSRJCO-CYBMUJFWSA-N 342.486 1.310 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C2CC2)o1 71914861 AYQUNUWMLQTRQH-CQSZACIVSA-N 348.424 1.939 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@H]2C=CCCC2)CC1 97049773 YJVXBHMTJPWRQR-AWEZNQCLSA-N 338.477 1.878 0 40 EDAB CCc1csc([C@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)n1 72282293 SVSKGUWTWFLSKM-ZDUSSCGKSA-N 346.456 1.977 0 40 EDAB C[C@H](OCc1ccccc1)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269190 BZHJFLNDPJJQCE-JQHSSLGASA-N 332.444 1.649 0 40 EDAB CN1CCN(C[C@@H](NC(=O)NC[C@@H]2CCOC2)c2ccccc2)CC1 72232607 DSYPKEJAGMSCCZ-FUHWJXTLSA-N 346.475 1.311 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(Cn3cccn3)o1)C2 97198629 RIJMDKHRMLIASR-ZDUSSCGKSA-N 325.372 1.774 0 40 EDAB CC(C)NC(=O)CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 75572833 DMMMUBYPQNZGIE-LBPRGKRZSA-N 327.450 1.112 0 40 EDAB COC(=O)c1cncc(N2CCN(c3ccccc3OC)CC2)n1 72304005 VIOIIVRLAHYWAU-UHFFFAOYSA-N 328.372 1.598 0 40 EDAB COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1c(O)cc(C)[nH]c1=O 72404365 ZLIRFOUXIYZKJT-GFCCVEGCSA-N 331.324 1.782 0 40 EDAB CC(C)c1noc(CCNC(=O)C(=O)Nc2cccc(F)c2F)n1 76018354 SFJNMBGMKLCTKW-UHFFFAOYSA-N 338.314 1.769 0 40 EDAB CCCc1noc([C@@H](C)N2CCN(CCn3ccccc3=O)CC2)n1 95360766 RXRIDEJUZYSKSO-OAHLLOKOSA-N 345.447 1.563 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NCCCn1ccnc1 95397283 XBAVMVIYIKQHFK-HNNXBMFYSA-N 329.404 1.239 0 40 EDAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccn2ccnc2c1 95430687 TWTUCCPRNWCPJP-UHFFFAOYSA-N 335.319 1.787 0 40 EDAB COc1cc(C(=O)N[C@@H](C)CCN2CCOCC2)cc(OC)c1C 74105480 FDVYVWYBAPSXPV-ZDUSSCGKSA-N 336.432 1.853 0 40 EDAB CCCn1nc(C)c(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1C 95982404 UQUMAEOKAIGTRM-QGZVFWFLSA-N 348.491 1.981 0 40 EDAB CN(CCS(C)(=O)=O)C(=O)NC[C@@H]1C[C@]12CCc1ccccc12 88619296 YXULUYIKJNPREF-WMLDXEAASA-N 336.457 1.577 0 40 EDAB CN1CCc2c(NC(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)cccc21 89385676 ORKCYEKPOGMSQX-HOCLYGCPSA-N 328.416 1.954 0 40 EDAB N=C(N)NC1=NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S1 9939608 UQTBNAKPNZGBGX-QMMMGPOBSA-N 325.781 1.150 0 40 EDAB CCC[C@@H]1C[C@@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 79909684 MJZQKYVWASZQMP-BARDWOONSA-N 328.478 1.190 0 40 EDAB Cc1noc(C(C)C)c1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 89526112 OBOXPDMPNSXXLA-LBPRGKRZSA-N 345.403 1.765 0 40 EDAB Cc1ccnc2nc(C(=O)N3CCC[C@@H](N4CCCCCC4)C3)nn12 89701921 LOBJFNKTAOUTAG-OAHLLOKOSA-N 342.447 1.913 0 40 EDAB CN1C(=O)[C@@H](NC(=O)[C@H]2Cc3c(O)cccc3N2)Cc2ccccc21 1548568089 DRGLWIBRUNAMDR-CABCVRRESA-N 337.379 1.433 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 33560678 QXODOKNALVUBEL-RUDMXATFSA-N 339.691 1.314 0 40 EDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2nc(C3CC3)no2)C1 548010686 LCPDHFQMECLLOI-MRXNPFEDSA-N 347.444 1.949 0 40 EDAB C[C@@H](C(=O)N1CC(CO)(c2ccccc2)C1)n1nnnc1C(C)(C)C 517887198 XYMSGKXCYBQKAA-ZDUSSCGKSA-N 343.431 1.304 0 40 EDAB CCCCNS(=O)(=O)c1ccc(NCCCO)c(C(=O)O)c1 217549939 RJTWJVHPOJVMJW-UHFFFAOYSA-N 330.406 1.258 0 40 EDAB COc1cccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)n1 529516698 IJRWEUCIQLBWPZ-UHFFFAOYSA-N 341.367 1.815 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](O)C1CCCCC1 70636804 GZZKRBVUKDKAAF-AWEZNQCLSA-N 348.399 1.089 0 40 EDAB CCOC(=O)CCN(C(=O)CNC(=O)NC1CCCCC1)C1CC1 79320702 HIBRCIMIISZPFN-UHFFFAOYSA-N 339.436 1.563 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)no1 78772732 ISMFBMBPDRFOMY-LLVKDONJSA-N 338.408 1.863 0 40 EDAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)NC1CC1 72346863 OHLMPFWVYGVEJA-UHFFFAOYSA-N 328.397 1.586 0 40 EDAB COC(=O)[C@@H]1[C@H]([C@H](O)OC)ON(Cc2ccccc2)[C@H]1c1ccco1 13408262 RNUIIBQFSACBLH-LISAXSMJSA-N 347.367 1.891 0 40 EDAB biogenic CC[C@@H]1C[C@H]1NC(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1 225461778 XCUKIPNDLOTGSF-BXUZGUMPSA-N 337.445 1.461 0 40 EDAB CN(CC(=O)O)C[C@H]1CN(C(=O)c2cccc(C(F)F)c2)CCO1 566915637 KOSKXDNUEMSWQN-ZDUSSCGKSA-N 342.342 1.482 0 40 EDAB COc1ccccc1N1C[C@@H](C(=O)Nc2nnn(C)c2C)CC1=O 568731272 QOKCUKZIVDYVEA-NSHDSACASA-N 329.360 1.124 0 40 EDAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N[C@@H]1C[C@@H](CO)[C@H](O)C1 85469360 FKNCOHSNOCYUGQ-NORZTCDRSA-N 333.363 1.088 0 40 EDAB Cc1cc(O)nc([C@H](C)N2CCO[C@H](Cn3nc(C)cc3C)C2)n1 192577396 HATGCDRRUXJJJX-GJZGRUSLSA-N 331.420 1.766 0 40 EDAB Cc1noc(C)c1CC(=O)NCCn1cnc2ccsc2c1=O 225776528 VPTAFFBGDRALAK-UHFFFAOYSA-N 332.385 1.422 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccco1 75156285 JQYMKZCBJNJISN-QGZVFWFLSA-N 346.339 1.013 0 40 EDAB Cc1cc(C[C@@H](C)NC(=O)N2CCCN(C(=O)C3CC3)CC2)n[nH]1 132873244 TWDWRADPOAMNRI-GFCCVEGCSA-N 333.436 1.303 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NCCn1nc(C)cc1C 44159277 YUFONKWQITWHJC-UHFFFAOYSA-N 343.430 1.327 0 40 EDAB Cc1ccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1 224224463 IKICTKLHVPVZPB-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB O=C(NCCCc1cnc2ncnn2c1)c1cc2ccccc2oc1=O 225642503 YDEMLHDHMCTCHC-UHFFFAOYSA-N 349.350 1.593 0 40 EDAB C[C@@H]1CN(CCN2CCC(CCCN3CCOCC3)CC2)CCO1 192793143 QUXQIVSKSOXEFV-GOSISDBHSA-N 339.524 1.532 0 40 EDAB Cc1cccc(CN2CCO[C@H]3CN(CC4CC4)CC[C@H]3C2=O)n1 96107173 DIWPGSJZCPEGGP-MSOLQXFVSA-N 329.444 1.849 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)CCO)cc2)cc1 95116888 OFRCHRGKWPSEDB-UHFFFAOYSA-N 348.424 1.860 0 40 EDAB CN(C)CC(=O)N1C[C@H]2CCC[C@@H](N(C)Cc3cccnc3)[C@H]2C1 96182939 OLFVTUQRFDMCJT-FGTMMUONSA-N 330.476 1.702 0 40 EDAB Cc1noc(C)c1CN1CC[C@]2(C[C@H](Oc3ncccn3)CO2)C1 96072556 JIHQEUNGMZTORV-YOEHRIQHSA-N 330.388 1.894 0 40 EDAB COCCC(=O)N1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 96106864 HTBYFGKFWUHQIB-INIZCTEOSA-N 334.416 1.785 0 40 EDAB CCOCCN1CC[C@H]2C[C@H](C(=O)N(C)Cc3ccccn3)O[C@H]2C1 96043269 SHSGBFWAFMSQCF-JQHSSLGASA-N 347.459 1.556 0 40 EDAB CCc1n[nH]c(=O)c(CNS(=O)(=O)c2cc(C)ccc2C)c1CC 96475175 RAWDFVGPHAPPMW-UHFFFAOYSA-N 349.456 1.990 0 40 EDAB Cc1nc(C)n(C[C@H]2CC[C@@]3(COCCN(C(=O)CC4CC4)C3)O2)n1 96063521 HNXBAQUJVUJYGK-SJLPKXTDSA-N 348.447 1.472 0 40 EDAB Cc1ccc([C@H]2[C@@H](C(=O)Nc3nccs3)OCC(=O)N2C)cc1 96181532 HUXLHQNJZOHKTK-KBPBESRZSA-N 331.397 1.989 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](C)(C(=O)OC)N[C@H]2c1cccc(F)c1 245230751 YETVZQMIBWNCBG-PFHKOEEOSA-N 334.347 1.023 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](Nc3ccc(N)nc3)CC2)n1 583621864 GEYPTGGYLRRCES-OAHLLOKOSA-N 342.447 1.970 0 40 EDAB COC[C@H]1CN(C(C)=O)CC12CCN(C(=O)Cc1ccco1)CC2 247918740 GMJLLGPGWNVIIV-OAHLLOKOSA-N 334.416 1.556 0 40 EDAB CC(C)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3F)C2)C1 604381766 NOESSWKUSBUTMW-QGZVFWFLSA-N 333.451 1.805 0 40 EDAB biogenic,in-vitro NC(=O)CN1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1 257343676 ZTYVNFUEVGRTLT-UHFFFAOYSA-N 327.310 1.413 0 40 EDAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H]1COC(=O)N1 585080814 UDBWEBFSFGTUAM-JTQLQIEISA-N 345.277 1.334 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1ccno1 257327636 XCDNUQAUGAEYQC-AWEZNQCLSA-N 329.356 1.729 0 40 EDAB CC(=O)N1CCN(Cc2ccc3ncccc3c2)C[C@@H](C(N)=O)C1 257213763 CIZLCFAZMVXYCE-MRXNPFEDSA-N 326.400 1.000 0 40 EDAB CCN(CC)Cc1ccc(C(=O)OCC(=O)N=S(C)(C)=O)cc1 585136281 ZNZBUEYPUBRIAG-UHFFFAOYSA-N 340.445 1.939 0 40 EDAB CC(C)n1cnc(S(=O)(=O)Nc2ccnc(S(C)(=O)=O)c2)c1 585128893 QFACBLZHEVQECR-UHFFFAOYSA-N 344.418 1.063 0 40 EDAB O=S(=O)(NCc1nnc2ccc(-c3ccsc3)nn12)C1CC1 253470979 AIQPSFJKMWZAMS-UHFFFAOYSA-N 335.414 1.435 0 40 EDAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3cscn3)C2)ncn1 257314493 UXFYHKIPRCWHAZ-HNNXBMFYSA-N 333.417 1.003 0 40 EDAB O=C(CCc1cccs1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257206719 BERBZHQWFKNNLH-ZIAGYGMSSA-N 344.427 1.984 0 40 EDAB CC(C)N1C(=O)CO[C@H]2CCN(C(=O)CCc3cccnc3)CC[C@@H]21 257325334 WSNXVQHEBBRUKB-IRXDYDNUSA-N 345.443 1.641 0 40 EDAB CCCn1ccnc1CN1CCO[C@H](CCc2cc(O)ncn2)C1 257206891 BFIXHVGTEHKVTP-OAHLLOKOSA-N 331.420 1.622 0 40 EDAB CC(C)c1ncc(NC(=O)c2cccc(CS(N)(=O)=O)c2)cn1 279853666 FEWTUFYFOIGWLD-UHFFFAOYSA-N 334.401 1.641 0 40 EDAB CC(C)(C)N1C[C@@H](NC(=O)CCN2Cc3ccccc3C2=O)CC1=O 1616044634 KKDKGPJJCZRWJQ-AWEZNQCLSA-N 343.427 1.548 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1C 96098104 IQWWGOMBMWEVDU-ZDUSSCGKSA-N 347.458 1.201 0 40 EDAB CCOC(CNC(=O)c1ccnc(OC2CCOCC2)c1)OCC 390827527 HHWWKTMMNDRLAS-UHFFFAOYSA-N 338.404 1.768 0 40 EDAB CCO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1ccc(C)cc1)C2 575403904 KPVBKRGTTQMVIV-AWEZNQCLSA-N 325.430 1.954 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)c2cccc(O)n2)C1 585275316 AKCUKLOKCRLJSG-SFHVURJKSA-N 328.368 1.752 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 585108851 WEDDNKHNOYUEEN-HRCADAONSA-N 328.372 1.394 0 40 EDAB O=C(NCCn1ccnc1)N[C@H](CN1CCCC1=O)c1ccccc1 43311368 MLHGGUCAYLUPOJ-MRXNPFEDSA-N 341.415 1.546 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)NCCc1cnn(C)c1 46988010 PCCHZXVXPPJMSX-CQSZACIVSA-N 330.388 1.444 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCO[C@H]4CCC[C@H]43)cnc12 56194012 UYAPHZSERKUFEX-CABCVRRESA-N 327.384 1.485 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OCCCO3)C1 58357804 MZKCCWOQODCWRA-AWEZNQCLSA-N 333.388 1.980 0 40 EDAB C[C@@H]1C(=O)N(CC(=O)NCC(F)(F)F)C(=O)N1c1ccc(F)cc1 69573394 VACDTEAECIIXNU-MRVPVSSYSA-N 347.268 1.661 0 40 EDAB CC(C)N1CC[C@@H](NC(=O)NCCC(=O)NCc2ccccc2)C1 69619750 SCZRILVPRZCAJV-MRXNPFEDSA-N 332.448 1.475 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)CCN2CCO[C@H](CN(C)C)C2)c1 69842977 JPVGTWLYICNONR-MRXNPFEDSA-N 340.489 1.340 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1cc3ccccc3[nH]c1=O)C2 71864884 YTEQLKSPVMVIBD-UHFFFAOYSA-N 337.383 1.899 0 40 EDAB c1ccc2oc(N3CCCN(c4ccc5nncn5n4)CC3)nc2c1 1565520839 UFRFATCUQCJYLU-UHFFFAOYSA-N 335.371 1.982 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1Cl 96365240 BYAMAKMGJKRSAG-NSHDSACASA-N 337.850 1.456 0 40 EDAB COc1ncccc1CN1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 583615077 BCFQIHNLUNQALX-KRWDZBQOSA-N 331.420 1.746 0 40 EDAB CN(Cc1ccnc(N(C)C)n1)C(=O)[C@@H]1CCc2ccccc2O1 1615050039 IIBZJQDKZFIQFG-INIZCTEOSA-N 326.400 1.895 0 40 EDAB COc1cc(F)cc(F)c1S(=O)(=O)N1C[C@H]2CCC[C@]2(N)C1 1615621999 YMVPPEQKQPCOKS-OTYXRUKQSA-N 332.372 1.475 0 40 EDAB CC(=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)O 5632959 TYISSGFGUZUDKJ-QWHCGFSZSA-N 328.409 1.112 0 40 EDAB Cc1cc2c(cc3c(=O)n(CC(=O)NCC4CC4)nc(C)n32)s1 12115342 NLWZSUBZHUXREU-UHFFFAOYSA-N 330.413 1.854 0 40 EDAB O=C(c1cncnc1)N1Cc2ccccc2OC[C@@H]1Cn1ccnc1 12128287 IKDJHDNLXPEFDK-INIZCTEOSA-N 335.367 1.777 0 40 EDAB C[C@H](C(=O)N1CCn2c(nnc2C2CC2)C1)n1nc2ccccc2n1 12158618 RNTBFADCOGRGFH-LLVKDONJSA-N 337.387 1.504 0 40 EDAB COc1ccc2ncc(NC(=O)N3CCC[C@H](C(N)=O)C3)c(O)c2n1 12222664 AFPKZADDRSUSMS-VIFPVBQESA-N 345.359 1.073 0 40 EDAB Cc1cc(Cl)ccc1N(CC(=O)NCCN(C)C)S(C)(=O)=O 13632666 WUPPBJLKKJRWFV-UHFFFAOYSA-N 347.868 1.092 0 40 EDAB CCc1noc(C)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 14797187 YGISJBHRSBSDRV-UHFFFAOYSA-N 337.401 1.165 0 40 EDAB O=C(CN1CCOC1=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220762746 BKRXJDBYHJZNQG-LLVKDONJSA-N 334.376 1.180 0 40 EDAB COc1ccnc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 1888853473 JLJQYSVWUDPEOF-KBPBESRZSA-N 338.367 1.107 0 40 EDAB Cc1nc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)n(C2CC2)c1C 32894127 VLCPGMXYWODWRT-LLVKDONJSA-N 343.474 1.230 0 40 EDAB Cc1cc(NC(=O)NCc2ccccc2S(=O)(=O)N(C)C)no1 32889671 BWKZDCPQZNRDBB-UHFFFAOYSA-N 338.389 1.555 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N[C@@H]1CCCCNC1=O)=C2 40533901 WSNAWFOPROQCSL-CQSZACIVSA-N 330.384 1.646 0 40 EDAB CN(CCCNC(=O)c1ccccc1Br)S(C)(=O)=O 32915153 AYBCJPCKAYHZTH-UHFFFAOYSA-N 349.250 1.460 0 40 EDAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)C3CC(O)C3)C2)CC1=O 1614933066 DTUKLZSDUSTXEH-JRSKDTKFSA-N 347.415 1.013 0 40 EDAB O[C@@H]1CCCC[C@H]1N1CCN(c2cc(N3CCCC3)ncn2)CC1 2087121772 GNPLNBWIARVQIK-HZPDHXFCSA-N 331.464 1.502 0 40 EDAB CN(C)CCOC[C@@H]1C[C@@H]2OCCN(C(=O)C3(F)CCC3)[C@@H]2C1 1565544698 QRRXLIRVAFDENN-ZNMIVQPWSA-N 328.428 1.463 0 40 EDAB O=C(CSc1nnc2[nH]c(=O)ccn12)NCc1ccccc1Cl 4249831 FQIUCDMEVZGYSF-UHFFFAOYSA-N 349.803 1.480 0 40 EDAB COc1ccc(CNC(=O)C(=O)Nc2ccc(C(N)=O)cc2)cc1 5251035 ZGVCFDVHIVBKPG-UHFFFAOYSA-N 327.340 1.049 0 40 EDAB O=C(CCN1CCCCC1)Nn1c(S)nc2ccccc2c1=O 20643523 QZYKDEWJBZKWJS-UHFFFAOYSA-N 332.429 1.631 0 40 EDAB COc1ccc(C(=O)N2CC(Cn3nc(C)ccc3=O)C2)cc1OC 1775967088 DYIXTOFPXREBEV-UHFFFAOYSA-N 343.383 1.341 0 40 EDAB CCCNC(=O)Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O 49410795 YMHXUGFLBXGOSM-UHFFFAOYSA-N 344.350 1.300 0 40 EDAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)C(=O)Nc1ccon1 245039118 OGAYHGBRNSUXEP-OAHLLOKOSA-N 347.352 1.320 0 40 EDAB O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1cc(F)ccc1F 75155763 FNCLNJQTJXJJTK-SFHVURJKSA-N 346.333 1.854 0 40 EDAB COc1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)ccc1C 40497306 GJYHSLZGSOALJO-UHFFFAOYSA-N 326.418 1.157 0 40 EDAB Cn1cnnc1CNC(=O)COc1ccc(Br)cc1F 40512101 TYFIKTSYVMNNIO-UHFFFAOYSA-N 343.156 1.412 0 40 EDAB CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)O 8316056 REYIJKFOYHUVPX-ZDUSSCGKSA-N 342.417 1.166 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)C[C@@H](C)O1 45744703 IYNCMLGHOCRVCQ-KFWWJZLASA-N 333.498 1.052 0 40 EDAB CC[C@H](CO)NS(=O)(=O)c1ccc(Br)c(OC)c1 11566182 UHCIVJFNQVZBSC-MRVPVSSYSA-N 338.223 1.507 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 219717 RWSKBHFUZCPHBX-GDBMZVCRSA-N 332.400 1.339 0 40 EDAB Cc1nc(CS(=O)(=O)CC(=O)N[C@@H]2CCCc3ccccc32)no1 46159524 CCCRSZUDWRZTJQ-CQSZACIVSA-N 349.412 1.487 0 40 EDAB COC[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 32674229 WXMAXWQEWWDWBU-BXUZGUMPSA-N 344.408 1.130 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)NC1CCN(C(=O)C2CC2)CC1 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334.811 1.484 0 40 EDAB Cc1sc(-c2ccco2)nc1C(=O)NC1(CC(N)=O)CCOCC1 75094349 LIPLMNAPIDFUGF-UHFFFAOYSA-N 349.412 1.866 0 40 EDAB CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCC(=O)OC(C)C)c1 75105738 DPQBAYMACSJBKL-LBPRGKRZSA-N 336.388 1.870 0 40 EDAB Cc1ccnc(N2CCN(Cc3nc4ccccc4c(=O)n3C)CC2)c1 119958053 GPQIBFCFWUIQOM-UHFFFAOYSA-N 349.438 1.959 0 40 EDAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)c(OC)c1 4073412 BUSCMEVMRSMUDE-DPYKFYPSSA-N 331.324 1.075 0 40 EDAB Cc1c(S(=O)(=O)NC[C@H](C)Cn2cc(Cl)cn2)cnn1C 36614922 YLEJRMLSRLTWEG-VIFPVBQESA-N 331.829 1.193 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@H]1C2 306127550 GBNHLNNBTXDALT-ZIAGYGMSSA-N 329.404 1.314 0 40 EDAB Cc1nccn1C[C@H](C)CNC(=O)N1CCC[C@@H](Cn2ccnn2)C1 124505325 ISDWNXWURUSGMF-GDBMZVCRSA-N 345.451 1.541 0 40 EDAB Cc1noc(CNC(=O)C2CCN(C(=O)/C=C/c3ccco3)CC2)n1 70655640 MNVVWHNDLPACDT-SNAWJCMRSA-N 344.371 1.539 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)NCC[C@H](O)c1ccccc1 72265257 OVMJLVJMKHFKMN-KRWDZBQOSA-N 337.383 1.445 0 40 EDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)/C=C\c1ccccc1 71980201 QKTSLJLIJZDHHK-HLRDLLSLSA-N 344.411 1.824 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C)C2)c(Cl)c1 78394032 HGOWGKLRWNQCLB-VIFPVBQESA-N 333.793 1.536 0 40 EDAB CN1C(=O)[C@@H](NC(=O)C(=O)NCCC2=CCCCC2)c2ccccc21 40284575 VOVYJVAODPQCHO-INIZCTEOSA-N 341.411 1.827 0 40 EDAB CS(=O)(=O)N[C@H](CC(=O)NCc1ccco1)c1ccc(F)cc1 225945199 PEDSBVFGLSJOQX-CQSZACIVSA-N 340.376 1.716 0 40 EDAB Cc1c(C(=O)N2CCN(c3nnnn3C)CC2)sc2ccccc12 525459983 GJIOAXDEZMXIDT-UHFFFAOYSA-N 342.428 1.696 0 40 EDAB O=C([C@@H]1CSc2nccc(=O)n2C1)N1CCc2ccccc2C1 85473949 YGAFMCNCTYDXQV-AWEZNQCLSA-N 327.409 1.550 0 40 EDAB O=C(NCCCOCC1CCOCC1)N1CCN2CCC1CC2 225458691 LAFIVSAKJZTNTI-UHFFFAOYSA-N 325.453 1.309 0 40 EDAB CS(=O)(=O)NCc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)o1 84754768 KEOOTWIKTONSPY-CQSZACIVSA-N 348.424 1.959 0 40 EDAB O=C(NC1CCOCC1)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 225637928 HWRBCOIRZGGMQJ-AWEZNQCLSA-N 347.371 1.185 0 40 EDAB C[C@](O)(CNS(=O)(=O)c1ccc(Br)cc1)C1CC1 61976588 IWOIMSJCRXKURW-LBPRGKRZSA-N 334.235 1.888 0 40 EDAB CCc1c(C(=O)N2CC(n3nc(C)nc3C)C2)[nH]c(C)c1C(C)=O 573866258 VMAAFVYYGIMNKI-UHFFFAOYSA-N 329.404 1.994 0 40 EDAB Cc1cccc2c1OC[C@@H](NC(=O)N1CCC[C@@H](n3cncn3)C1)C2 332901538 OWIBDDKAVVNAER-JKSUJKDBSA-N 341.415 1.937 0 40 EDAB C[C@@H](C(=O)NCC1CCCCC1)N1CCO[C@@H](c2nncn2C)C1 583624090 SMSGUYXGJVTNIH-DZGCQCFKSA-N 335.452 1.273 0 40 EDAB COc1ncccc1CN1C[C@@H]2C[C@@H](Cc3nnc(C)o3)O[C@@H]2C1 96209676 KBCUDYNREUGVDY-SOUVJXGZSA-N 330.388 1.614 0 40 EDAB CCO[C@@H]1CCN(C(=O)c2cnc(C)cn2)[C@@H]1Cc1cnn(C)c1 96200628 KTZWQSCWCHGSDS-HZPDHXFCSA-N 329.404 1.381 0 40 EDAB COC[C@H](C)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 97103867 VFRBZFPIIUWWSW-CQSZACIVSA-N 344.452 1.805 0 40 EDAB Cn1cccc1[C@H]1COCCN1C(=O)CNC(=O)c1cccs1 97379469 DRLIVGGBVMHTTQ-CYBMUJFWSA-N 333.413 1.417 0 40 EDAB C[C@@H](Cc1ccc(Br)cc1)C(=O)NC(C)(CO)CO 97098137 WAPKQVLPGJGZAE-JTQLQIEISA-N 330.222 1.487 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3CCN(Cc4cccnc4)C(=O)[C@@H]3C2)[nH]n1 96249071 KHBSBSXYWHYWMG-HUUCEWRRSA-N 339.399 1.234 0 40 EDAB COc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1cncnc1)COC3 96112584 FHLYBHNWYAXCBH-LBPRGKRZSA-N 339.355 1.336 0 40 EDAB biogenic,in-vitro CC(C)c1cnc(CN2CCN(C(=O)N3CCOCC3)CC2)s1 97372992 DNPYSVZFZSNHRA-UHFFFAOYSA-N 338.477 1.836 0 40 EDAB COc1ncccc1CN1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1 96161802 GSKWPADAEILHLF-OKILXGFUSA-N 344.440 1.751 0 40 EDAB C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cccn1C 96336173 VAIAQMGURVNNNV-HNNXBMFYSA-N 327.432 1.361 0 40 EDAB CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccccn1)C2 96060868 FPSWXKCTRKDYCM-OAHLLOKOSA-N 344.463 1.371 0 40 EDAB Cc1nccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2CCN(C)C2=O)cc1 96461466 DKESCNSSRREVHR-WBMJQRKESA-N 341.415 1.772 0 40 EDAB C[C@H]1CCN(C(=O)NCCc2cccc(C(N)=O)c2)C[C@@H]1C(=O)O 578067520 SLULFGHQUFYETL-FZMZJTMJSA-N 333.388 1.080 0 40 EDAB c1ccc(OCc2nnc3n2CCN(Cc2ccncc2)CC3)nc1 96058883 UWEXEYCJCSWJOD-UHFFFAOYSA-N 336.399 1.705 0 40 EDAB O=C(c1cnccn1)N1CCC[C@]2(CCN(Cc3ccccn3)C2)C1 96047079 AEHRIOUSUINCHO-LJQANCHMSA-N 337.427 2.000 0 40 EDAB O=C(NC1CC1)[C@@]12CCO[C@@H]1CCN(CCOCc1ccccc1)C2 97953356 YDDWAMCHKBXZIH-UYAOXDASSA-N 344.455 1.963 0 40 EDAB CNC(=O)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O 96403285 ZTGXDPNVPADSRP-AWEZNQCLSA-N 339.189 1.212 0 40 EDAB Cc1ccc(N[C@@H]2CN(c3nncs3)C[C@@H]3CCCO[C@@H]32)nn1 96040704 ZXEWLRBAKRLLGI-SCRDCRAPSA-N 332.433 1.732 0 40 EDAB O=C(NCC1CC1)[C@@H]1CN(Cc2cccnc2)CC12CCOCC2 96052140 FKZIHCHICGOJMM-KRWDZBQOSA-N 329.444 1.836 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccco2)Cc2ncn(C)c21 96044860 WGBORVQOYPIEEA-ZDUSSCGKSA-N 332.404 1.217 0 40 EDAB CCn1ccc(NC(=O)c2cccc(OCc3nnnn3C)c2)n1 96101327 DKKQKQKYWCMQTQ-UHFFFAOYSA-N 327.348 1.258 0 40 EDAB Cn1c(CNc2c(F)cccc2-n2cccn2)cc(=O)n(C)c1=O 96453596 FHXPGIKKVPEBLT-UHFFFAOYSA-N 329.335 1.021 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1ccc(Cn3cccn3)o1)CC2 97198508 KPFJTVSEZQNNJZ-LBPRGKRZSA-N 340.387 1.423 0 40 EDAB Cc1ccc([C@H]2[C@@H](C(=O)NCc3ccco3)OCC(=O)N2C)cc1 96181468 NIYWJOWEBQCTCK-IRXDYDNUSA-N 328.368 1.803 0 40 EDAB CN1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccsc3)O2)CC1 96057343 LFRDLYXCUYTVOO-ZACQAIPSSA-N 349.500 1.644 0 40 EDAB COC(=O)C[C@@H]1NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccn[nH]1 95115678 NSOZICLMBWKULA-XDUBLRSXSA-N 341.371 1.579 0 40 EDAB O=C([C@@H]1CCOC1)N1CCCn2cnc(COCc3ccco3)c2C1 96259993 OYGBIXFLTASLDH-CQSZACIVSA-N 345.399 1.962 0 40 EDAB c1csc(CN2Cc3nccn3C[C@H](CN3CCOCC3)C2)c1 96066992 RPCARTNILKYGLN-OAHLLOKOSA-N 332.473 1.909 0 40 EDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)Cc4ccccc4F)C[C@H]3O2)n1 96218209 XXHVRMRZPXEAMH-OFQRWUPVSA-N 345.374 1.918 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(OCc3nnnn3C)cc2)C[C@H](C)O1 96101311 VLCOSXNQQHUELU-RYUDHWBXSA-N 331.376 1.039 0 40 EDAB C[C@@H](NC(=O)c1cnn(C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 96420902 RRAMOTQIAVDDKD-PBHICJAKSA-N 328.416 1.439 0 40 EDAB Cn1cc(CN2C[C@H]3CC[C@@]4(N=C(c5ccccc5)NC4=O)[C@H]3C2)cn1 96061747 GMDPAZUOVCAPIH-FUHIMQAGSA-N 349.438 1.577 0 40 EDAB CN(C)C(=O)COC[C@@H]1c2c(ncn2C)CCN1Cc1ccsc1 96066793 OHBOKCZDTDJVCU-OAHLLOKOSA-N 348.472 1.686 0 40 EDAB CN(Cc1cccnc1)[C@H]1CCN(C(=O)c2ccco2)[C@@H](C(=O)O)C1 248157156 ZNBFTOFOSAWBJH-LSDHHAIUSA-N 343.383 1.864 0 40 EDAB CS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COc2cccnc2)C1 247493821 CKRPTSVFFJLQOF-CABCVRRESA-N 326.418 1.291 0 40 EDAB Cn1nc(C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)cc1-c1ccc(F)cc1 257298014 RJTQPNVGIHMYOP-DAXOMENPSA-N 333.363 1.230 0 40 EDAB Cc1cnc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)cn1 257256472 KLQLCAVQKQQLDB-FVQBIDKESA-N 328.372 1.271 0 40 EDAB Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@H](Cc4cnccn4)[C@H]3C2)c1 257236910 HEHKODBDCDJNJM-UMVBOHGHSA-N 347.444 1.100 0 40 EDAB CCN(Cc1ccccn1)c1cc(N2CCC[C@H]2C(N)=O)ncn1 585092573 FORATBHARCUPTL-AWEZNQCLSA-N 326.404 1.352 0 40 EDAB COc1ccccc1[C@H](C)N1CCN(C(=O)c2cn(C)nn2)CC1 585083773 JYIAHCAARMLXCX-ZDUSSCGKSA-N 329.404 1.343 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 585086827 YJJMHMYMPVMHBE-SYEHKZFSSA-N 348.365 1.717 0 40 EDAB CCOc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ncn1 253394126 AIVVEAPAOLZHFR-UHFFFAOYSA-N 330.363 1.977 0 40 EDAB CCc1noc(CCC(=O)N2CC[C@@H](c3nc(C)cc(C)n3)C2)n1 257258592 KURQKDXANPODMV-CYBMUJFWSA-N 329.404 1.988 0 40 EDAB COCCN1C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]1c1cccc(OC)c1 257275989 NRWRIKDWKAVDBZ-WBVHZDCISA-N 334.416 1.710 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2Cc2ccc3c(c2)OCCO3)n1 257284937 PEYHWKFXGONCQO-OAHLLOKOSA-N 343.383 1.835 0 40 EDAB CCCc1cc(C(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)no1 257270293 MTPFMEBEDWNAQP-CQSZACIVSA-N 346.387 1.597 0 40 EDAB Cc1ccc(-c2ccnn2C)cc1NC(=O)N1CCNC(=O)[C@H]1C 281313617 IRLSQZWYQTXNLT-GFCCVEGCSA-N 327.388 1.748 0 40 EDAB C[C@H]1COCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)O)cc1F 285681394 ZZIVDLRIWAEEIG-ONGXEEELSA-N 331.365 1.475 0 40 EDAB CCNS(=O)(=O)c1cccc(CNC(=O)C2(C)CCOCC2)c1 1615590581 PENPULLQFJMCKJ-UHFFFAOYSA-N 340.445 1.418 0 40 EDAB O=S(=O)(NCCc1cn2c(n1)CCCC2)c1cnc2ccccn12 1615586953 GSOPMZPVJZMVIQ-UHFFFAOYSA-N 345.428 1.388 0 40 EDAB O=C(NCCn1cnc(C2CC2)cc1=O)c1cc(-c2ccco2)[nH]n1 390827662 IQRGAQBOTRQACD-UHFFFAOYSA-N 339.355 1.534 0 40 EDAB CCCC(=O)N1CC2(CC[C@@H](CNC(=O)c3cnccn3)CO2)C1 575404574 OMDVKIALBIYQRL-ZDUSSCGKSA-N 332.404 1.014 0 40 EDAB COc1ccc(-c2n[nH]c3c2CCN(C(=O)C2CC(O)C2)CC3)cc1 585110412 RNCRINBCEJWILG-UHFFFAOYSA-N 341.411 1.783 0 40 EDAB CN(C)C[C@H]1CCn2nccc2CN1C(=O)Cc1ccccc1F 585097439 LRMDXRPLTFBLLJ-OAHLLOKOSA-N 330.407 1.927 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)CCN2CCCC2=O)C1 585275396 AHRVQYNFIBXFPF-LJQANCHMSA-N 346.427 1.350 0 40 EDAB CC(=O)Nc1nc(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)cs1 48137493 VFKBEEWEBKWSOC-LLVKDONJSA-N 332.385 1.597 0 40 EDAB CCOc1ccc(NC(=O)[C@H]2CCOC2)cc1S(=O)(=O)N(C)C 69330832 BZBXCHDWLGRXSF-NSHDSACASA-N 342.417 1.311 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCC[C@@H]1CN1CCOCC1 69777723 HWVWEPVVLDULFA-KURKYZTESA-N 337.508 1.868 0 40 EDAB CC(C)CC(=O)N[C@H](C(=O)NC[C@@H]1CN(C2CC2)CCO1)C(C)C 69740069 MNMMHKGGHAQSNY-WBVHZDCISA-N 339.480 1.153 0 40 EDAB CC[C@@H](C)[C@@H](C(=O)Nc1n[nH]c(-c2ccccc2)n1)n1cnnn1 1565519817 IKZCXBGPEZNHJQ-PWSUYJOCSA-N 326.364 1.684 0 40 EDAB CC[C@H](C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)C1(O)CCCCC1 1615586819 PPAMEOWGPLNNIS-IXDOHACOSA-N 338.492 1.765 0 40 EDAB COC(=O)[C@@H]1C[C@H](Sc2ncnn2C)CN1C(=O)OC(C)(C)C 1616036220 HWXKXRCSZPFWRJ-UWVGGRQHSA-N 342.421 1.458 0 40 EDAB Nc1nnc(SCC(=O)Nc2ccc(O)c(C(=O)O)c2)s1 5749537 UOLQIJVSMVJDHK-UHFFFAOYSA-N 326.359 1.255 0 40 EDAB CCOC(=O)NC(=O)CSc1nncn1-c1cccc(OC)c1 5895477 AXKCUWWWYMJSBP-UHFFFAOYSA-N 336.373 1.641 0 40 EDAB Cc1cc(C(=O)/N=c2\sc3cc4c(cc3n2C)OCCO4)n(C)n1 12226493 XTQISKVSKRJTFH-MSUUIHNZSA-N 344.396 1.794 0 40 EDAB CCN(CC)C(=O)Cn1nc2c3c(C)c(C)sc3ncn2c1=O 12274885 JQJIADXEBMOGGU-UHFFFAOYSA-N 333.417 1.591 0 40 EDAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3cn(C)nc3C)cc2n1 12337027 SCODQPINFUNMEX-AWEZNQCLSA-N 340.387 1.763 0 40 EDAB O=C(Cn1nnc2ccccc21)N1CCN(c2ccccc2F)CC1 14301510 BSHWEBBRWVYVDQ-UHFFFAOYSA-N 339.374 1.919 0 40 EDAB Cc1nn(C)cc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 19583900 SVVAAGQGCPGSKX-UHFFFAOYSA-N 336.399 1.432 0 40 EDAB CCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(C)c1 19929564 LPOAGAAMVHINTD-UHFFFAOYSA-N 342.461 1.931 0 40 EDAB O=C(N1CC[C@H](n2ccnn2)C1)C1(c2ccccc2)CCOCC1 206926721 NNFGRZBCWRWFOV-INIZCTEOSA-N 326.400 1.800 0 40 EDAB O=C(c1cc(Br)cs1)N1C[C@H]2C[C@H]1CS2(=O)=O 575608589 UTSMIXBLMDBSAE-JGVFFNPUSA-N 336.232 1.522 0 40 EDAB CC(C)CCNC(=O)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 4195146 CLEOBMFFEUDVOH-UHFFFAOYSA-N 338.408 1.113 0 40 EDAB Cc1nnc2c(N3CC(Cn4cc(Br)cn4)C3)nccn12 1888881842 MAGNSWVLNUQZPF-UHFFFAOYSA-N 348.208 1.528 0 40 EDAB O=S(=O)(N[C@@H]1CO[C@@]2(CCCNC2)C1)c1ccc(F)c(F)c1 2056226000 HOTQATIEFKEDEE-HZMBPMFUSA-N 332.372 1.154 0 40 EDAB CC1CC(C(=O)N2CC[C@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@@H]3C2)C1 1565545595 LJWGKAVJENPDBW-NNVWEFMASA-N 344.415 1.467 0 40 EDAB CCOc1ccc(N2C[C@@H](NC(=O)N3CCOCC3)CC2=O)cc1 5191916 RANJQPMIGRQIRT-ZDUSSCGKSA-N 333.388 1.232 0 40 EDAB COc1ccc(CC(=O)NCc2nnnn2-c2cccc(F)c2)cc1 10593575 QVLKOEXHBHUQRF-UHFFFAOYSA-N 341.346 1.669 0 40 EDAB O=C([C@@H]1CN(c2ncc(F)cn2)CCO1)N1CCC(F)(F)CC1 2086884445 VDHUIHDKYHSWJW-NSHDSACASA-N 330.310 1.079 0 40 EDAB O=S(=O)(c1ccccc1)N1CCC[C@H](Oc2ncc(F)cn2)C1 575611131 AOGQVSRJYQWLPI-ZDUSSCGKSA-N 337.376 1.848 0 40 EDAB O=C(Cn1cnc(C2CC2)cc1=O)NC[C@@H]1COc2ccccc21 585149979 GIHGMKWHGYJRFO-CYBMUJFWSA-N 325.368 1.413 0 40 EDAB Cc1cnc2c(S(=O)(=O)N(CC(N)=O)CC(C)C)cccc2c1 31656918 WURSUBOZHSWUNZ-UHFFFAOYSA-N 335.429 1.675 0 40 EDAB CN(C(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 31610550 FWJAOCXPIJWKAQ-GFCCVEGCSA-N 325.386 1.107 0 40 EDAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H]1CCCCNC1=O 40522019 CHQQJBDXXDGIPQ-CYBMUJFWSA-N 334.372 1.062 0 40 EDAB COCCn1nc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)ccc1=O 40534959 ZSEZPWHKFLPWNB-ZFWWWQNUSA-N 337.420 1.215 0 40 EDAB COCC(=O)N1CCN(Cc2noc(-c3cccc(C)c3)n2)CC1 40540694 AEUJIXPSHZHSBF-UHFFFAOYSA-N 330.388 1.336 0 40 EDAB O=C1NCCCC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 40527185 NCOHJKJSLUCIDL-SNVBAGLBSA-N 336.335 1.652 0 40 EDAB COc1cccc(OCCNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 40501734 QYKKSAZQOZTYTI-STQMWFEESA-N 344.433 1.018 0 40 EDAB COc1cc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc(OC)c1C 45750899 ULSWQOBZNVRCQL-AWEZNQCLSA-N 332.400 1.895 0 40 EDAB COc1ccc(-c2nnn(CC(=O)NCc3ccc(F)cc3)n2)cc1 415084 BNNAPHHYETXLPV-UHFFFAOYSA-N 341.346 1.804 0 40 EDAB Cn1c(=O)c2c(nc(C3C[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3)n2C)n(C)c1=O 4877012 WJZABZDNBWNGQV-RSMQCKGYSA-N 328.416 1.510 0 40 EDAB CCCCn1nnc(NC(=S)NC(=O)c2cccc(OCC)c2)n1 6636094 CGWNTDSFDLGSST-UHFFFAOYSA-N 348.432 1.999 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@H]1Cn1cccn1 69771310 AQCFBWWUSUJEPR-AWEZNQCLSA-N 337.383 1.284 0 40 EDAB O=C(CNc1c(F)cccc1N1CCCC1)NCC(=O)N1CCCC1 69740707 VXWXJFLCCDBNHC-UHFFFAOYSA-N 348.422 1.576 0 40 EDAB O=C(CNc1cc(F)ccc1OC[C@H]1CCCO1)N1CCOCC1 69704747 XCYZVFRUEOAARW-CQSZACIVSA-N 338.379 1.654 0 40 EDAB CC(=O)NC1(C(=O)N2CCCN(c3cccnn3)CC2)CCCCC1 70038573 UWFWLQNCEZUPKF-UHFFFAOYSA-N 345.447 1.354 0 40 EDAB C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CCO1 9854089 DGBPYBWZCMXRGP-SECBINFHSA-N 331.199 1.971 0 40 EDAB O=C1CN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCN1 9953075 KHTBVMSSICTRHA-UHFFFAOYSA-N 333.722 1.312 0 40 EDAB Cc1cc(NC(=O)N2CCO[C@H](C(N)=O)C2)ccc1Br 51583501 WTQMOUMIVQHAED-NSHDSACASA-N 342.193 1.476 0 40 EDAB CN(CC(=O)NCc1ccc2c(c1)OCCO2)C(=O)c1ccco1 22869071 WPIQNSMVPJZFFE-UHFFFAOYSA-N 330.340 1.439 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@@H](c2ccc(Cl)cc2)N1 12345658 ZWMSNEVBNKGRGL-SWLSCSKDSA-N 347.802 1.969 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)N1CCC[C@H]2CCCC[C@H]21 23700832 GEGFKCCLHGQPLF-IAGOWNOFSA-N 343.475 1.780 0 40 EDAB CC[C@H](C)NC(=O)N1CCN(c2ncc(Br)cn2)CC1 42843737 VPAAKBYJIBXFQR-JTQLQIEISA-N 342.241 1.869 0 40 EDAB Cc1ccc(Cn2ccc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)n2)cc1 102015345 NHWMWPCCTXFXQU-OTRWWLKZSA-N 337.379 1.907 0 40 EDAB O=C(CNC(=O)NC1CCN(C(=O)C2CC2)CC1)Nc1ccccc1 56386031 HDKXPRPTKWRJDR-UHFFFAOYSA-N 344.415 1.325 0 40 EDAB O=C(CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)NCc1ccco1 26947337 GIQWCPOCHOQHBK-AWEZNQCLSA-N 334.759 1.669 0 40 EDAB CCNC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 58193234 CIISQILIYMTMHH-UHFFFAOYSA-N 338.351 1.770 0 40 EDAB Cc1cnc(C(=O)N2CCCc3ccc(S(C)(=O)=O)cc32)cn1 58228686 VHHLSCGAUKRAJS-UHFFFAOYSA-N 331.397 1.782 0 40 EDAB O=C(COC(=O)c1cccc(O)c1)NCc1ccc2c(c1)OCO2 3224234 QTDGEKOCCDFVCM-UHFFFAOYSA-N 329.308 1.594 0 40 EDAB COCCn1nc(C(=O)N[C@@H](C)Cc2ccccc2Cl)ccc1=O 44940838 BZZCDHMLBBSXDV-LBPRGKRZSA-N 349.818 1.904 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)[C@H]2COc3ccccc3C2)C1 44934783 PEQSWQHHCXBHRZ-LSDHHAIUSA-N 326.400 1.772 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccccc1OCC(N)=O)c1ccsc1 44909461 RZAXSCGRFVALMR-AWEZNQCLSA-N 347.440 1.645 0 40 EDAB CCOC(=O)N1CCN(CC(=O)Nc2ccc(C(=O)OC)cc2)CC1 36262207 CHJSSYNDQLCFFV-UHFFFAOYSA-N 349.387 1.186 0 40 EDAB CO[C@H](CNC(=O)c1nc2nc(C)cc(C)n2n1)c1ccccc1 48191893 VNZYXXPLHOZCPW-CQSZACIVSA-N 325.372 1.859 0 40 EDAB O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@@H]1C2 306134092 NDFFJBQZSJTZEE-UONOGXRCSA-N 341.415 1.458 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)Cc3ccn(C(C)C)n3)CCO2)n1 76050321 LTMUFWGZXBKHQS-CQSZACIVSA-N 346.435 1.677 0 40 EDAB O=C(N1CCOCC1)N1CCN(c2cnc3ccccc3n2)CC1 26140913 ZPOYKEUGRFAWQR-UHFFFAOYSA-N 327.388 1.204 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-n3cnnn3)cc2)c1C 8316169 OLPDMGSLUDQFSI-UHFFFAOYSA-N 340.343 1.646 0 40 EDAB C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O 3412814 PJGCWKMZBLUPLO-CDUCUWFYSA-N 328.173 1.106 0 40 EDAB in-vitro Cc1ccccc1OCn1ccc(C(=O)NCCN2CCOCC2)n1 27972189 GCWYONGXAZYGME-UHFFFAOYSA-N 344.415 1.290 0 40 EDAB CCCCNC(=O)C(=O)N[C@H](C)C(=O)Nc1ccc(Cl)cc1 12913918 XOPQETHDAVWXHW-SNVBAGLBSA-N 325.796 1.700 0 40 EDAB CCOC(=O)C1=C(COC(=O)Cc2ccc(F)cc2)NC(=O)NC1 12910336 DDSGVRITZMAGJJ-UHFFFAOYSA-N 336.319 1.041 0 40 EDAB Cc1ccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1F 69454010 AJUAAAJZOCPPAO-INIZCTEOSA-N 335.423 1.807 0 40 EDAB COc1ccccc1CNC(=O)CN1CCC[C@H](N2CCCC2)C1 76681095 IHKDUMGOCZLMEI-KRWDZBQOSA-N 331.460 1.872 0 40 EDAB COc1ccc(C)cc1[C@H](O)CN1CCO[C@H](Cn2cc(C)cn2)C1 69560307 SLXAUHWIUBKPQI-FUHWJXTLSA-N 345.443 1.943 0 40 EDAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCNC1=O 6062772 DFKLQVNKPKDPFW-UHFFFAOYSA-N 334.347 1.733 0 40 EDAB CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 17395786 QNEQVYTXLNLKJI-UHFFFAOYSA-N 336.457 1.664 0 40 EDAB CCOC(=O)c1cccc(NC(=O)CSc2nncc(O)n2)c1 5009490 OIKNAOSJDNZWIO-UHFFFAOYSA-N 334.357 1.485 0 40 EDAB CCOC(=O)c1cnn(C)c1NC(=O)CN1CCc2ccccc2C1 69698927 YNKJMWQVYFGDSY-UHFFFAOYSA-N 342.399 1.594 0 40 EDAB Cc1ccc([C@@H](NC(=O)CN2CCN(C[C@@H](C)O)CC2)C2CC2)cc1 69627723 JGXRJWDDROMKIS-OXQOHEQNSA-N 345.487 1.561 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)c2cc3n(n2)CCO3)c1C 408474293 OHJYFGBEBKSRRA-UHFFFAOYSA-N 349.412 1.628 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)cn1 69968926 XTTVYHJEGKZDNN-CQSZACIVSA-N 327.388 1.333 0 40 EDAB NS(=O)(=O)CC1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 69977226 UTKLCXVIVDPMQV-ZZXKWVIFSA-N 326.393 1.366 0 40 EDAB O=C(CCNC(=O)[C@@H]1COc2ccccc2C1)Nc1cccnc1 66099072 KXRQZGXWOYVJHA-AWEZNQCLSA-N 325.368 1.778 0 40 EDAB CN(C)CCCNC(=O)c1cc2c(=O)n3ccccc3nc2s1 6791993 XMJJKSUIIQHPNV-UHFFFAOYSA-N 330.413 1.591 0 40 EDAB COc1cccc(CNC(=O)c2cc(C)nc(N3CCOCC3)n2)c1 71195489 DMSHIRMCZVFQHE-UHFFFAOYSA-N 342.399 1.560 0 40 EDAB O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCC1 7308293 ININHIGVBFOFJM-UHFFFAOYSA-N 344.458 1.256 0 40 EDAB CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1C1CC1 7618290 YAOOAZWLCPPXFI-UHFFFAOYSA-N 325.438 1.892 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1CCN(c2ccccc2)C1=O 68201085 ZMQXWQXQGQDLAK-CQSZACIVSA-N 347.415 1.823 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1ccccc1Cl 7912365 PBTWMDAYKRBGAH-VIFPVBQESA-N 326.784 1.054 0 40 EDAB O=C(NCc1ccc2c(c1)OCCO2)N1CC[C@@](O)(C(F)(F)F)C1 81470626 RNXLZFSQMBHSCF-AWEZNQCLSA-N 346.305 1.667 0 40 EDAB Cc1ccc2nc(CN3CCCC[C@@H]3C(=O)N3CCOCC3)cn2c1 84074544 OTFQWLNTIHOVLH-QGZVFWFLSA-N 342.443 1.856 0 40 EDAB NC(=O)N[C@H](CC(=O)N1CCC[C@H](n2ccnc2)C1)c1cccs1 71796531 ADISTVCZWOTLTI-QWHCGFSZSA-N 347.444 1.908 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CN1C1CC1 84136576 WQYQQOXIZMDSIV-AAEUAGOBSA-N 330.388 1.621 0 40 EDAB Cc1cc(C)n2nc(C)c(C(=O)N[C@H](C(N)=O)c3ccccc3)c2n1 71808714 SZFFTUFVQGPUJS-HNNXBMFYSA-N 337.383 1.611 0 40 EDAB C[C@@H](C(=O)Nc1nncs1)N1CCN(c2ccc(F)cc2)CC1 71893245 ZHMYKMREVKGYFN-NSHDSACASA-N 335.408 1.826 0 40 EDAB NC(=O)CN(C(=O)Cc1ccc(-n2cccn2)cc1)C1CCCC1 71821143 GIVOOCZKOWGBGI-UHFFFAOYSA-N 326.400 1.671 0 40 EDAB COc1cccc(CC(=O)N2CCN(Cn3cc(Cl)cn3)CC2)c1 71833146 YNZOYMITFREVMP-UHFFFAOYSA-N 348.834 1.890 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)Cc2c(C)nc(C)[nH]c2=O)n1 71870184 ABZQHRXVMBGWLR-OAHLLOKOSA-N 343.431 1.434 0 40 EDAB CCOc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1C(=O)O 71806529 RPUVYZWUTRGZPJ-UHFFFAOYSA-N 325.346 1.318 0 40 EDAB CCOC(=O)CCCS(=O)(=O)Oc1ccc(CC(=O)OC)cc1 71893097 LRCBYURPNONRCE-UHFFFAOYSA-N 344.385 1.454 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@@H]1Cn1cccn1 71866643 JUNXSSSZQKCDFU-CQSZACIVSA-N 330.388 1.608 0 40 EDAB CN(C)CCN(Cc1cccnc1)C(=O)NCCc1ccccn1 71819336 UMVZJYFWDSPGFO-UHFFFAOYSA-N 327.432 1.793 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NC[C@@H]2CC=CCC2)CC1 83888656 LYWCLCBTMIRJIR-DLBZAZTESA-N 348.491 1.681 0 40 EDAB CCOC(=O)c1sc2ncnc(N(C)[C@@H]3CCN(C)C3=O)c2c1C 71915193 BTPYZKPWOATTCP-SNVBAGLBSA-N 348.428 1.843 0 40 EDAB CC(=O)N1CCC[C@@H](S(=O)(=O)N[C@H](C)c2ccc(F)c(F)c2)C1 71911199 GJLWSTHXERJPON-ZWNOBZJWSA-N 346.399 1.956 0 40 EDAB CNC(=O)NC(=O)CNc1cccc(C[S@@](=O)c2ccccc2)c1 71913947 LDBFBDSRDPIJOO-DEOSSOPVSA-N 345.424 1.862 0 40 EDAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CC[C@@H](N)C1 97019413 ANZRWJBTDUNIGI-CQSZACIVSA-N 337.427 1.992 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(-c3ccccc3)[nH]n2)C1 97051631 XDFXMOLLPRQXMD-OAHLLOKOSA-N 334.445 1.590 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)c1 72279986 VEWCSKIQXXXYBC-LSDHHAIUSA-N 333.436 1.363 0 40 EDAB COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CSCc1cccc(C)c1 72292918 DMRAAHJFEAOHBR-OAHLLOKOSA-N 347.440 1.852 0 40 EDAB Cn1cc(NC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)cn1 97114756 WWLAATFKZZJNMH-QGZVFWFLSA-N 343.431 1.699 0 40 EDAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC1(O)CCN(C)CC1 72306589 AQDRWBPLIBMITA-GFCCVEGCSA-N 326.824 1.680 0 40 EDAB CC(=O)N1CC[C@H](NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 95450573 BKFUTGAIWJTOIY-STQMWFEESA-N 331.199 1.764 0 40 EDAB Cc1ccccc1O[C@@H](C)CNC(=O)NCCc1nnc2n1CCC2 95409969 GQHPMCOMOLFLJV-AWEZNQCLSA-N 343.431 1.842 0 40 EDAB CN(CCn1cnnc1)C(=O)COc1ccccc1Br 95448968 MWLGJKFHJUAWKM-UHFFFAOYSA-N 339.193 1.578 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2csc3c(F)cccc23)n(C)c1=O 84839740 PDBDCEKLYUIDPP-UHFFFAOYSA-N 344.371 1.836 0 40 EDAB O=C(O)[C@H]1COCCN1C(=O)c1ccc(Br)c(F)c1 88375983 XSHJHQWPCVUDOQ-SNVBAGLBSA-N 332.125 1.514 0 40 EDAB CN(Cc1cscn1)C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 89364876 KWLCZWMISNUVHP-HNNXBMFYSA-N 345.424 1.529 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)NC1CC1 36105188 XOYOHMSABFOYFQ-UHFFFAOYSA-N 333.207 1.006 0 40 EDAB Cn1cc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3CC2CC2)cn1 306132203 LBODDSVSFYPIDF-SJORKVTESA-N 325.416 1.513 0 40 EDAB CCCNC(=O)c1cc(S(=O)(=O)NCCCOCC)ccc1C 408625488 STCDJAFCQJJRRS-UHFFFAOYSA-N 342.461 1.840 0 40 EDAB CNCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3ccccn3)n2)C1 72383026 SSIVPYAVSRQDJP-CYBMUJFWSA-N 326.404 1.459 0 40 EDAB CC[C@@H](CN1CCOCC1)NC(=O)Cc1ccc2c(c1)OCCCO2 36741462 WWQCRYLDWNTBQI-INIZCTEOSA-N 348.443 1.617 0 40 EDAB O=C([C@H]1CCCN(C[C@@H](O)COCc2ccccc2)C1)N1CCCC1 79350315 YDLWJHJFJNCTRJ-RBUKOAKNSA-N 346.471 1.899 0 40 EDAB CC[C@@H](c1ccc(F)cc1F)N1CCN(CC(=O)NC(N)=O)CC1 75833046 FZYZOGUBVPPTLD-AWEZNQCLSA-N 340.374 1.228 0 40 EDAB CNc1nc([C@@H]2CCN(C(=O)C3CCC3)C2)nc2c1CCN(C)C2 72368166 ZGDKLIJGGAMPFT-CYBMUJFWSA-N 329.448 1.622 0 40 EDAB CCOC(=O)c1cnc(N2CCN(c3cc(F)ncn3)CC2)nc1C 521398579 RGUBAIMCZUMQIE-UHFFFAOYSA-N 346.366 1.217 0 40 EDAB CCOC(=O)c1c(NCSc2nncn2N)sc2c1CCC2 73657827 JHLUACLMCAFEIT-UHFFFAOYSA-N 339.446 1.881 0 40 EDAB COc1cc(C[C@]2(c3ccco3)NC(N)=NC2=O)cc(OC)c1OC 71976394 OVUQESUMTQWXEZ-QGZVFWFLSA-N 345.355 1.188 0 40 EDAB CC[C@@H](NC(=O)NC1CCOCC1)c1cccc(S(N)(=O)=O)c1 78446792 HXVJVBYFJXEBON-CQSZACIVSA-N 341.433 1.263 0 40 EDAB O=C(NCCCNS(=O)(=O)c1ccccc1Cl)N1CCCC1 225588529 YCDSXUPKPBJYHI-UHFFFAOYSA-N 345.852 1.814 0 40 EDAB O=C(NCC1CCN(c2ccccn2)CC1)C(=O)Nc1cccnc1 43941339 NLANGMSKQLZBQQ-UHFFFAOYSA-N 339.399 1.448 0 40 EDAB CNC(=O)CCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1 226751218 GBJCZDZZFRFRMR-UHFFFAOYSA-N 340.305 1.757 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)(C)C)cc1 226071302 ZDQOJDOCSSBODJ-UHFFFAOYSA-N 342.461 1.868 0 40 EDAB Cc1cnc([C@@H](C)NCC(=O)N2CCN(c3cnccn3)CC2)s1 193553442 ZOCSPWCXTSAAOJ-CYBMUJFWSA-N 346.460 1.241 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2c2ccccc2)cn1 192885892 OOYZEOVBZUGCBR-INIZCTEOSA-N 347.440 1.768 0 40 EDAB O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCc2[nH]cnc2C1 225515773 SGGJGWHDVWWMBO-UONOGXRCSA-N 338.411 1.684 0 40 EDAB CC[C@H](CNC(=O)c1ccncc1F)NC(=O)c1ccncc1F 96420786 PXAPKFUXXWOTCU-SNVBAGLBSA-N 334.326 1.693 0 40 EDAB Cc1nc(C2CC2)ccc1C(=O)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 578114140 GUFZNBOOGCSPAJ-JFIYKMOQSA-N 343.427 1.823 0 40 EDAB Cn1ccnc1CN1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1 96226572 SWLWKQONLQOFEF-QGZVFWFLSA-N 346.410 1.221 0 40 EDAB Cc1nnc(N2CC[C@H]3C[C@@H](C(=O)NC4CCCC4)O[C@@H]3C2)s1 96042996 UVFKCUDHUYNSLX-FPMFFAJLSA-N 336.461 1.889 0 40 EDAB CCS(=O)(=O)N1CCOC[C@@H]1c1nccc(Nc2ccccn2)n1 96218103 UBRMACAQXDCTCA-GFCCVEGCSA-N 349.416 1.338 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 96408566 UWGCSTQUPMLCHM-LLVKDONJSA-N 336.335 1.469 0 40 EDAB Cc1c(C(=O)NN2CCOCC2)nnn1-c1ccc(Cl)cc1F 96435962 MSKAZUFRHYIRLE-UHFFFAOYSA-N 339.758 1.345 0 40 EDAB CC(=O)N1C[C@@H]2Oc3cc(-c4cccnc4)ccc3C(=O)N(C)[C@@H]2C1 514290119 SFKNTEKOPDAWNX-AEFFLSMTSA-N 337.379 1.812 0 40 EDAB biogenic,in-vitro CN(C)C(=O)N1CC[C@@]2(CCCN(C(=O)Cc3cccnc3)C2)C1 96047142 QCPBZYZOIITMJO-GOSISDBHSA-N 330.432 1.620 0 40 EDAB Cc1cnc(C(=O)N2CC[C@@H]3OCCN(CC4CC4)[C@@H]3CC2)cn1 96082223 TUOOIXZTDSTIFW-SJORKVTESA-N 330.432 1.500 0 40 EDAB COc1cc(N2CC[C@@]3(CC(=O)N(c4cccnc4)C3)C2)ncn1 96239092 AZYXWXVVGYNEAR-QGZVFWFLSA-N 325.372 1.514 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)N1CCCC1)C2 96227068 JFEISZMGWMSXHX-YJBOKZPZSA-N 328.416 1.626 0 40 EDAB COC[C@@H]1CCC[C@]12CN(S(=O)(=O)c1cccs1)CCO2 96160855 OGWZXKCZVLJEOR-JSGCOSHPSA-N 331.459 1.954 0 40 EDAB COC1CN(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 585083267 KBPRGKQAGJLXRV-UHFFFAOYSA-N 342.751 1.929 0 40 EDAB CCn1cc(CN2CC3(CC[C@@H](CN4CCOCC4)CO3)C2)cn1 249700256 XLKRLKPXTMODAW-INIZCTEOSA-N 334.464 1.216 0 40 EDAB Cc1csc(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)n1 245171840 XXKRMOKSUGMXOL-UHFFFAOYSA-N 341.400 1.502 0 40 EDAB O=C(c1cscn1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 247807349 CAFJSSAJMCDPQQ-GFCCVEGCSA-N 331.397 1.848 0 40 EDAB COc1ncccc1CN1Cc2ccnn2[C@@H](C(=O)N2CCCC2)C1 247817587 BWUNJQZDKYXUAE-MRXNPFEDSA-N 341.415 1.466 0 40 EDAB Cc1csc(CN2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)n1 247960894 OKFQLZJAEACOAK-UHFFFAOYSA-N 341.502 1.888 0 40 EDAB CC[C@H](CS(=O)(=O)Nc1cn(-c2cccc(OC)c2)nn1)OC 585129198 BBUOPDUBVDXYHR-GFCCVEGCSA-N 340.405 1.443 0 40 EDAB COCCOc1cccc(C(=O)NCc2nc(C)c(C(N)=O)s2)c1 585130190 KEVFGEMUGOGMCN-UHFFFAOYSA-N 349.412 1.506 0 40 EDAB CN(C)CCCC(C)(C)NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 585121195 IIJQLEHHLXRKJZ-CYBMUJFWSA-N 345.484 1.499 0 40 EDAB CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1ccsc1 257316761 VGWPVVVJESZOBX-QGZVFWFLSA-N 346.456 1.571 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@@H](Oc4ncccc4F)CCO3)C2)on1 253600270 MACWIPPMAIZGPZ-LBPRGKRZSA-N 347.346 1.970 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)Cc2c(C)noc2C)CCO1 257225910 FIILAVSOKVKDRJ-CYBMUJFWSA-N 331.376 1.266 0 40 EDAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ocnc3C)C2)ncn1 257298297 RLCHZZPFUVWNMJ-KRWDZBQOSA-N 345.403 1.185 0 40 EDAB O=C(c1n[nH]c2c1CCCC2)N1CCC[C@](O)(CN2CCCC2)CC1 257232024 GJBHBKQQMQRQFD-LJQANCHMSA-N 346.475 1.742 0 40 EDAB COCC1(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CCC1 283794102 APTVRNOFSLRAIG-UHFFFAOYSA-N 347.458 1.246 0 40 EDAB CC[C@H](C)[C@H](C(=O)Nc1ccc(Cn2cncn2)cc1)n1cnnn1 1615154362 FVCJDMJDDFPYBG-SWLSCSKDSA-N 340.391 1.539 0 40 EDAB CN(C[C@@H]1COCCO1)c1nnnn1CCc1cc(F)cc(F)c1 1616033180 MJCBEYVLYNDNCH-CQSZACIVSA-N 339.346 1.046 0 40 EDAB C[C@@H](N[C@@H](CO)C1CCCC1)c1ccc(S(N)(=O)=O)cc1F 1616040890 HCHVNYKXHIMVCS-BMIGLBTASA-N 330.425 1.675 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCC(Oc3cccnn3)CC2)cc1 96119324 YNISYCBVKPIDQL-UHFFFAOYSA-N 341.367 1.947 0 40 EDAB Cc1ccc(OC[C@]2(O)COCCN(Cc3cc(C)on3)C2)cc1 585269549 YPGSBDORKYWNRR-GOSISDBHSA-N 332.400 1.934 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)Cc2coc3c(C)c(C)ccc23)[C@@H]1O 585287278 WRCHHYNWMOJCRW-NUJGCVRESA-N 347.411 1.825 0 40 EDAB O=S1(=O)CC[C@@H](CNS(=O)(=O)c2ccc(Cl)s2)C1 44457599 PJAHQIIRWFOZTH-ZETCQYMHSA-N 329.852 1.115 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](N2CCCC2)C1 58919900 BGFOTBIIDRIZHR-AWEZNQCLSA-N 336.457 1.791 0 40 EDAB Cc1cc(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)on1 67933226 UNTYOVWSRPEHPY-OAHLLOKOSA-N 343.383 1.822 0 40 EDAB CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nnc3ccccn23)c1 69387670 UGBGDRRTHBBHRK-UHFFFAOYSA-N 345.384 1.232 0 40 EDAB O=C(c1ccc(N2CCCC2)nn1)N1CCC[C@@H](n2ccnc2)C1 69664638 FYGYMDPQLCNMOU-CQSZACIVSA-N 326.404 1.751 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(C)n[nH]3)C2=O)cc1 59332569 IXLQXLSOYGVEGN-KRWDZBQOSA-N 341.371 1.432 0 40 EDAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2nccn(C)c2=O)n1 85736543 OMUBBKNUGPSJRC-UHFFFAOYSA-N 339.355 1.535 0 40 EDAB CCc1n[nH]c([C@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)n1 89289811 MCQMJOTWTRNDPD-OCCSQVGLSA-N 333.367 1.106 0 40 EDAB O=C(Cn1c(=O)oc2cccnc21)Nc1ccnn1C1CCCC1 84493522 DJHSEXKHWJCGBM-UHFFFAOYSA-N 327.344 1.940 0 40 EDAB O=C(O)C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)CCO1 91293118 LDWQHIDDPYSWTQ-NSHDSACASA-N 346.152 1.904 0 40 EDAB O=C(O)c1csc(C2CCN(C(=O)O[C@H]3CCOC3)CC2)n1 1615001913 KTRHMRBITDENMM-JTQLQIEISA-N 326.374 1.946 0 40 EDAB CCc1cccc(CC(=O)NC[C@@H]2CNC[C@H]2c2cncn2C)c1 1615590852 MLMIMZIPPFRXSY-DLBZAZTESA-N 326.444 1.644 0 40 EDAB Cc1nocc1S(=O)(=O)N1CCC[C@H]2c3ncn(C)c3CC[C@@H]21 1615585278 AJDYXGQRWYHCIM-NEPJUHHUSA-N 336.417 1.600 0 40 EDAB CCOc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCn3ncnc3C1)CCO2 1615550183 QOPIQJFAAGFXIK-DOMZBBRYSA-N 342.399 1.879 0 40 EDAB COc1cc(NCCNC(=O)CNc2cccnc2)cc(OC)c1 1615586615 WHKGOYRDUNRQMG-UHFFFAOYSA-N 330.388 1.739 0 40 EDAB Cc1conc1CN1C[C@@H](NC(=O)C2CC2)[C@H](c2nccn2C)C1 1615548768 IVEUKYRPEAZBOH-UKRRQHHQSA-N 329.404 1.211 0 40 EDAB Cn1cnc(NC(=O)NC[C@@H](O)c2cccc(OC(F)F)c2)n1 1615627289 HDMWLOHERWEQIN-SNVBAGLBSA-N 327.291 1.272 0 40 EDAB CN1C[C@@H](C(=O)NC2CCOCC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595685 JRCXGNFIRDTCQO-VYDXJSESSA-N 334.391 1.732 0 40 EDAB CCCCNC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 13582504 DPQTWIUIXGBUBV-UHFFFAOYSA-N 344.433 1.630 0 40 EDAB CC(C)S(=O)(=O)c1nn(CCCNC(=O)OC(C)(C)C)cc1N 710676204 PGMYAZKIPHOQKE-UHFFFAOYSA-N 346.453 1.562 0 40 EDAB Cc1cc(N2CCN(c3nnc(C4CC4)s3)CC2)nc(N(C)C)n1 1888903864 BZIACYZQYSGZSD-UHFFFAOYSA-N 345.476 1.907 0 40 EDAB Cc1sc2ncn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c(=O)c2c1C 18191958 BJQWQNDUYSJLTF-AOOOYVTPSA-N 335.429 1.711 0 40 EDAB CCOCc1ccccc1CNC(=O)[C@H]1CCCN1S(C)(=O)=O 30177453 GXAZXCSPBATNNG-OAHLLOKOSA-N 340.445 1.263 0 40 EDAB CCN1C(=O)CC[C@H]1c1nc(CNC(=O)c2c(C)noc2C)no1 1775963804 DMIPVSJFKIECIC-JTQLQIEISA-N 333.348 1.288 0 40 EDAB biogenic,in-vitro COC(=O)c1sccc1NC(=O)CN1CCC2(CC1)OCCO2 26935523 VWDRZLVGULZMHV-UHFFFAOYSA-N 340.401 1.312 0 40 EDAB O=C(NCc1nnc2ccc(N3CCCC3)nn12)c1ccsc1 238899203 RHYLBRSEFBROTP-UHFFFAOYSA-N 328.401 1.716 0 40 EDAB CCOc1nccn2c(CNC(=O)c3sc(C)nc3C)nnc12 240122510 WAOYTIKYSSFQMG-UHFFFAOYSA-N 332.389 1.526 0 40 EDAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OC)c(O)c1 85413692 JKVQFTBSHMHNSH-ZFWWWQNUSA-N 332.308 1.728 0 40 EDAB O=C(c1cc[nH]n1)N1C[C@H](OCC2CCOCC2)[C@H]2OCCC[C@H]21 1565547238 MSSNNPRDOINXJQ-PMPSAXMXSA-N 335.404 1.225 0 40 EDAB CCOC(=O)c1c(NC(=O)c2ccnn2C)sc2c1CCN(C)C2 11695034 SAJNJUMMCDYHKM-UHFFFAOYSA-N 348.428 1.899 0 40 EDAB COc1ccccc1CN1CCC[C@](C(=O)N(C)C)(n2ccnc2)C1 2055772558 VOPFNPFEAXASQY-IBGZPJMESA-N 342.443 1.971 0 40 EDAB COc1cccc(CN2CCC[C@](C(=O)N(C)C)(n3cccn3)C2)c1 2055771566 IXMBRVFQLROOFO-IBGZPJMESA-N 342.443 1.971 0 40 EDAB COCC(=O)N1CCC(F)(F)[C@]2(CCN(c3ncc(F)cn3)C2)C1 2055806602 VCLLZHVXQRAMIT-CQSZACIVSA-N 344.337 1.326 0 40 EDAB O=S(=O)(NC1CN(c2ncnc3ccsc23)C1)c1ccccc1 1775978558 UCMDMEHOPVAHDX-UHFFFAOYSA-N 346.437 1.858 0 40 EDAB CCOC(=O)CNC(=O)Cn1c(-c2ccccn2)nc2ccccc21 23144103 QHZPUQKTPCNIEG-UHFFFAOYSA-N 338.367 1.778 0 40 EDAB Cc1ccccc1NC(=O)C[C@H](NCCCN1CCOCC1)C(=O)O 23224640 PMWUFVJAIBLCOE-INIZCTEOSA-N 349.431 1.089 0 40 EDAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4cnsn4)C3)n2)n1 585606397 XHCARUYBNAAMIU-UHFFFAOYSA-N 343.416 1.034 0 40 EDAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](O)c1cccn1C 75155119 LYHAUUDMSDJKQC-CQSZACIVSA-N 338.429 1.662 0 40 EDAB COCCNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 40487960 HNRHXYOUNMSIOV-UHFFFAOYSA-N 328.294 1.971 0 40 EDAB CCN(CC)C(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 150457 LOVQOKZQBXDBOC-SNVBAGLBSA-N 334.445 1.846 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2cccnc2Oc2ccccc2)CCO1 50857117 NHCVAQGEIDOWPI-CQSZACIVSA-N 327.340 1.200 0 40 EDAB Cc1c(C(=O)N2CCO[C@@H](C(N)=O)C2)oc2c1C(=O)CC(C)(C)C2 50847265 HNIJDYSKWBKBLT-GFCCVEGCSA-N 334.372 1.069 0 40 EDAB Cc1cccc(OCCC(=O)N2CCN(S(C)(=O)=O)CC2)c1C 40520941 QRGFEFXBHQRPRD-UHFFFAOYSA-N 340.445 1.176 0 40 EDAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cn1ccc(=O)[nH]c1=O 40554167 IFAJQHXODGFOFB-GFCCVEGCSA-N 331.372 1.268 0 40 EDAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCCNc1ncccn1 40513651 MITOPLNOZLXWCI-CQSZACIVSA-N 339.399 1.596 0 40 EDAB O=C(CCCn1c(=O)oc2ccccc21)N[C@@H]1CCCCNC1=O 40521252 DUDDSCNECAGXOP-GFCCVEGCSA-N 331.372 1.160 0 40 EDAB Cc1ccccc1[C@H](CC(=O)NCCNc1ncccn1)NC(N)=O 40535563 SGWJKFYVFXDQLK-AWEZNQCLSA-N 342.403 1.113 0 40 EDAB COCCOc1ccc(NC(=O)N[C@H](C)C(=O)OC(C)(C)C)cn1 69658748 DNCDHWBPTNPQGZ-LLVKDONJSA-N 339.392 1.959 0 40 EDAB c1ccc(-c2noc(CN[C@H]3CCCN(c4cccnn4)C3)n2)nc1 71877461 XPHZKTHZZCYXDG-ZDUSSCGKSA-N 337.387 1.680 0 40 EDAB O=C1NCCCC[C@@H]1NCc1cc(Br)c2c(c1)OCO2 36977058 YMDWOWTXBWWWJU-NSHDSACASA-N 341.205 1.936 0 40 EDAB Cc1cc(NC(=O)[C@@H](NC(N)=O)C(C)C)ccc1N1CCCC1=O 11743117 DNEHFFPSZYEMIP-HNNXBMFYSA-N 332.404 1.753 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN1CCC[C@H](C(N)=O)C1 29596757 JOEGMGYWVHZUDO-AWEZNQCLSA-N 331.416 1.172 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 20943763 RIFOBVWCMPPTNE-LBPRGKRZSA-N 330.306 1.569 0 40 EDAB Cn1nc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)ccc1=O 46335138 AGFZKJWKBVZSBX-CYBMUJFWSA-N 342.403 1.076 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@H]3C(=O)O)ccc12 3191837 TWRFZSVEWADLBU-ZDUSSCGKSA-N 331.324 1.556 0 40 EDAB biogenic CC1(C)C[C@@H](CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C(=O)O1 376864 HQTDQPTUQLOSRW-SNVBAGLBSA-N 340.401 1.394 0 40 EDAB Cc1ccnn1-c1ccc(C(=O)NCCC(=O)N2CCCC2)cc1 32744687 IWYADWUBBMPCBX-UHFFFAOYSA-N 326.400 1.923 0 40 EDAB O=C1CC(=O)NC(SCC(=O)Nc2cccc3ccccc23)=N1 4903360 YUYYOMKFDIZWSQ-UHFFFAOYSA-N 327.365 1.914 0 40 EDAB COCCCNC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 6426751 DMSMCOAFQULKSU-ZDUSSCGKSA-N 328.434 1.302 0 40 EDAB O=C(NCc1cccnc1-n1ccnc1)c1ccc2c(c1)OCCO2 29916588 ORHJQYPYFBDYEU-UHFFFAOYSA-N 336.351 1.969 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cc(C)nn3CC)CCO2)n1 76045963 OWJZDKIUWBGKBW-ZDUSSCGKSA-N 332.408 1.496 0 40 EDAB CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)O 100103373 KNTVOOKRMLJSKO-HUBLWGQQSA-N 333.388 1.086 0 40 EDAB Cc1ccc(-c2nnc(CCC(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1 41208050 XXDKNUVNMZIRHU-ZDUSSCGKSA-N 349.412 1.281 0 40 EDAB CCOc1ccc(C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1OC 32903395 AKEBHIQDJVBEOF-ZDUSSCGKSA-N 341.429 1.743 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nn1C(F)F 2732458 BQLKIPTYBOYLFN-UHFFFAOYSA-N 338.314 1.778 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2scnc2C)C(N)=O)cc1 71826765 QUBAMJPZMHMFME-ZDUSSCGKSA-N 347.440 1.924 0 40 EDAB CCN1CCN(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2)CC1 22113385 AVLWAVNNFVXRRD-CQSZACIVSA-N 345.472 1.912 0 40 EDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)NCc1nncn1CC 46964922 MNXGETAMGBLUIW-UHFFFAOYSA-N 345.403 1.801 0 40 EDAB CS(=O)(=O)c1cccc(OCC(=O)N2CCO[C@H]3CCC[C@H]32)c1 53386143 LFAHERHREMOBHU-CABCVRRESA-N 339.413 1.249 0 40 EDAB O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1nc(=O)[nH][nH]1 69815384 QHMBQFZCQJQETM-UHFFFAOYSA-N 335.367 1.913 0 40 EDAB c1ccc(COC[C@@H]2CN(C[C@H]3CCOC3)Cc3nccn3C2)nc1 107209061 CIPQPPFWMORJAI-IAGOWNOFSA-N 342.443 1.963 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1 800902 BJWCIIIKHPXQOE-UHFFFAOYSA-N 349.412 1.027 0 40 EDAB C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1csc2ccccc12 69811276 QFBHMDZUGZGCKV-JTQLQIEISA-N 329.381 1.629 0 40 EDAB CCn1c(CNC2CCN(S(C)(=O)=O)CC2)nc2ccccc21 54041114 HFJMEFLPSOFCQF-UHFFFAOYSA-N 336.461 1.570 0 40 EDAB CC(C)/N=c1\ccccn1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 23197839 LODLMZYAIWOHIA-CLEQQJOVSA-N 330.388 1.158 0 40 EDAB COc1ccc(C)cc1CN(C)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 42683663 GUTVCCYLEZNBCR-GJZGRUSLSA-N 347.459 1.548 0 40 EDAB CC(=O)N1CCN(Cc2nc(N)nc(Nc3ccc(C)cc3)n2)CC1 12552332 RTHJFQLGCIAPMV-UHFFFAOYSA-N 341.419 1.170 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)on1 24179467 VVICOONODDCPQB-UHFFFAOYSA-N 343.383 1.712 0 40 EDAB COc1ccc(OCc2nc(CN3CCNC(=O)C3)cs2)cc1 54983011 NWFMNECFWRVHNS-UHFFFAOYSA-N 333.413 1.663 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 100420578 ARKAASZAGPCBAD-XTDOFWJNSA-N 344.411 1.582 0 40 EDAB CC(C)(C)n1cc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 71841512 OXYKKDWYQPASPU-CYBMUJFWSA-N 346.406 1.851 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1c(C)cc(C)c(C(C)=O)c1C 24806167 KKDILPQKNMCETR-MRXNPFEDSA-N 346.427 1.678 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]1O2 107264536 WUTCFCPXEZWYDD-RCCFBDPRSA-N 338.411 1.382 0 40 EDAB CC(C)N(CC(N)=O)CC(=O)NCc1ccc(F)cc1C(F)(F)F 71810971 WGAZKROQNQLGGV-UHFFFAOYSA-N 349.328 1.656 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2cccn(C)c2=O)n1 71871994 JFQZROHECVOQIY-OAHLLOKOSA-N 328.416 1.894 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)C[C@H]3CCCCN3C(C)=O)CCO2)n1 83829862 KCCSCTOMGQFUMP-KGLIPLIRSA-N 349.435 1.058 0 40 EDAB O=C1COc2cc(C(=O)N3CCN(c4nccs4)CC3)ccc2N1 10270681 CUGWGVFKGNDTSZ-UHFFFAOYSA-N 344.396 1.436 0 40 EDAB CN1N=C(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CCC1=O 58289790 XXCTWDYMJNYTFK-LBPRGKRZSA-N 348.834 1.891 0 40 EDAB CCOC(=O)C[C@@H](NC(=O)N[C@H](C)C(=O)N(C)C)c1ccccc1 58265232 JVYHJGZQBJXBIO-TZMCWYRMSA-N 335.404 1.457 0 40 EDAB Cn1ccnc1[C@@](O)(CCNC(=O)Nc1nccs1)C(F)(F)F 44968459 GGVCCWYZAJTYQS-NSHDSACASA-N 349.338 1.838 0 40 EDAB O=C(NCCNc1ncccn1)c1cccc(OC[C@H]2CCCO2)c1 44917729 XDYRRVKPXVCGOG-MRXNPFEDSA-N 342.399 1.876 0 40 EDAB CN1CCO[C@@H](CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1 58393920 ZFYMXTPZCQAKLV-LBPRGKRZSA-N 340.807 1.101 0 40 EDAB COc1ccc(CN2CCCN(c3cc(C(N)=O)ccn3)CC2)cc1 58311995 GBIKWYKOCZUKBV-UHFFFAOYSA-N 340.427 1.901 0 40 EDAB Cn1cccc1C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C 3358550 ZKOGDVZWJMWSBY-UHFFFAOYSA-N 341.367 1.946 0 40 EDAB O=C(CCn1cncn1)Nc1ccc(I)cc1 10816426 HNKYTZFAYCJLIZ-UHFFFAOYSA-N 342.140 1.912 0 40 EDAB NC(=O)CN(Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H]1CCCO1 48276089 DQJXRRKTHLAIGU-LBPRGKRZSA-N 340.807 1.578 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)NCc2cccc(F)c2)C1 45608190 YCMVEMSWKIHBSV-ZDUSSCGKSA-N 329.397 1.049 0 40 EDAB Cc1nc(C)c(CCC(=O)NC[C@@H]2COc3ccccc3O2)c(=O)[nH]1 12924949 JOVODCIEZQFALO-CYBMUJFWSA-N 343.383 1.276 0 40 EDAB Cc1cc(CN2Cc3ncn(C)c3[C@H](C(=O)NC(C)C)C2)n(C)n1 306138884 SJYVOZSVNWVICJ-CQSZACIVSA-N 330.436 1.086 0 40 EDAB O=S1(=O)CC[C@@H](NCc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 48686430 LQSCSRVFDSUAIU-GFCCVEGCSA-N 335.385 1.082 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccsc1C(=O)OC 13692985 MFIJNXQSFZSDNA-SNVBAGLBSA-N 339.417 1.074 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCC1CC1 39551228 WPMPWVRIMBZDOS-GOSISDBHSA-N 327.384 1.296 0 40 EDAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CC(=O)O)c1 5180391 QPZUBJBFPXGVMK-UHFFFAOYSA-N 327.340 1.099 0 40 EDAB CC(=O)N1CCN(C(=O)CSc2ncnc3ccsc23)CC1 14019306 LWCZOVGTIYOZDI-UHFFFAOYSA-N 336.442 1.474 0 40 EDAB CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCCCO)c12 5303099 BDHQJZSWIWOOKG-LBPRGKRZSA-N 333.384 1.930 0 40 EDAB COC(=O)N1CCC(NC(=O)N2CCc3ccc(OC)cc3C2)CC1 66364933 MGJQWYVBPCMHLM-UHFFFAOYSA-N 347.415 1.994 0 40 EDAB Cc1ccccc1Nc1nc(N)nc(CSc2n[nH]c(N)n2)n1 6847512 KTQSMOVKNNMQQF-UHFFFAOYSA-N 329.393 1.498 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCCCC3)N2)cc1 9227040 HKNQUSHGDMRZIR-HNNXBMFYSA-N 342.399 1.558 0 40 EDAB C[C@H](NC(=O)NC[C@@H]1CCCO1)c1ccccc1NS(C)(=O)=O 69040188 KDJDVFSMFMGHCK-RYUDHWBXSA-N 341.433 1.597 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956982 OBNYQNOHZBWOKR-JTQLQIEISA-N 332.372 1.742 0 40 EDAB CC[C@H](C)[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)OC 70037635 DSTKQBLTNFNSLD-ZANVPECISA-N 332.356 1.230 0 40 EDAB Cc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1F 69530910 NZSCMVSRQKVAQL-UHFFFAOYSA-N 332.379 1.915 0 40 EDAB Cc1ccc(OCCCNC(=O)c2ccc(S(N)(=O)=O)o2)cc1 69516663 KZGZICZULQLSJE-UHFFFAOYSA-N 338.385 1.434 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1C 84007935 ZKTIBECAEICZEE-OAHLLOKOSA-N 333.432 1.817 0 40 EDAB O=S(=O)(c1ccc(Br)cc1F)N1CC[C@@H](CO)C1 97096068 RMQXDBRBXJFZHS-MRVPVSSYSA-N 338.198 1.591 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H](C)Oc3cccnc3)C2)n1 72287479 WPWBHCIZYVLBCA-WFASDCNBSA-N 329.404 1.921 0 40 EDAB O=C1CCN(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CCN1 72274233 ABBCYQQNIJFUHZ-UHFFFAOYSA-N 345.321 1.616 0 40 EDAB Cc1cccc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n1 97163256 ZMZKCWXIRORUQP-UHFFFAOYSA-N 332.429 1.364 0 40 EDAB CC(=O)N[C@H](C(=O)NC[C@](C)(O)c1cc(C)oc1C)C1CCCC1 78964021 SDGUKQGWHCUZIT-WMZOPIPTSA-N 336.432 1.915 0 40 EDAB O=C(NCCN1CCOCC1)Nc1ccnn1CCc1ccccc1 79104233 BZCJCLUAQQILOT-UHFFFAOYSA-N 343.431 1.580 0 40 EDAB Cc1n[nH]c(-c2ccc(NC(=O)[C@H](C)N3CCN(C)CC3)cc2)n1 95395859 ZRKWNKCHIFVXGR-LBPRGKRZSA-N 328.420 1.355 0 40 EDAB COC(=O)CC1CCN(C(=O)c2cn(C)c(=O)c3ccccc23)CC1 79501936 VEZFNHDWVFXRDH-UHFFFAOYSA-N 342.395 1.954 0 40 EDAB C[C@@H](Cn1cncn1)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 95421173 NROGLULEAQWZHP-QWRGUYRKSA-N 326.397 1.560 0 40 EDAB COCCN1CCC(CNC(=O)c2cccc3c2OCCO3)CC1 89414445 AYMJNZWRJIZADP-UHFFFAOYSA-N 334.416 1.546 0 40 EDAB COCCN(CCN(C)C)C(=O)Nc1cccc(-c2nnco2)c1 75128002 ICMHFVVLMRVMSM-UHFFFAOYSA-N 333.392 1.779 0 40 EDAB NC(=O)[C@H]1CN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)c2ccccc21 75138433 GOPPKXXFXNNCHY-GOEBONIOSA-N 336.347 1.384 0 40 EDAB COC(=O)c1ccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)nn1 89643851 WGLXCGCIWMNFBD-HUUCEWRRSA-N 342.399 1.311 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(OC)cc2)c1 24258878 MHSXCRDLGIQSRE-UHFFFAOYSA-N 335.381 1.960 0 40 EDAB CCCCC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1ccnn1C 306139784 UAISXOAIDZHMDM-CQSZACIVSA-N 348.447 1.348 0 40 EDAB CCNCC1CCN(C(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)CC1 516312959 LIITXWPZYLFETJ-FQEVSTJZSA-N 343.471 1.683 0 40 EDAB NC[C@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218036281 TVYBASPXJYIUKE-VYDXJSESSA-N 331.393 1.656 0 40 EDAB CCOC(=O)C1=NN(c2ccc(OC)c(Cl)c2)[C@H](C(=O)O)C1 71979297 OBHLMQYCKCTNAN-NSHDSACASA-N 326.736 1.931 0 40 EDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218523053 RSPXKHMQBUSDDP-RYRKJORJSA-N 345.420 1.964 0 40 EDAB Cc1ccc(C(=O)NCC(=O)NCC(C)(C)N2CCOCC2)s1 33026754 GYJNPLQLSSTYAD-UHFFFAOYSA-N 339.461 1.013 0 40 EDAB CC(C)N(C[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CN 79392946 YQOZKEHTHFGVRO-MRXNPFEDSA-N 333.432 1.983 0 40 EDAB CCCN1CC[C@@H](CNC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)C1 187748008 FHSUONQDRIZMHZ-CVEARBPZSA-N 340.512 1.205 0 40 EDAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)COC 217422190 JJWUEXURHCCLIP-LLVKDONJSA-N 344.433 1.910 0 40 EDAB Cc1cnn(CCC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)c1 79002152 TVRHYGGRXSCAGH-INIZCTEOSA-N 344.390 1.985 0 40 EDAB COc1cccc(-c2cncc([C@H]3CCCN(C(=O)CO)C3)n2)c1 72359755 KZYFYBGZWZNRSL-AWEZNQCLSA-N 327.384 1.851 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCn2c(nnc2-c2ccccc2)C1 72900236 PBSABAYMOZHNES-KRWDZBQOSA-N 333.395 1.987 0 40 EDAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccno3)n2)cc1 42379550 QSYWBYCZBYQRBQ-UHFFFAOYSA-N 340.339 1.337 0 40 EDAB CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 567739798 BNDVHLUQCHIYMB-ZACQAIPSSA-N 329.444 1.444 0 40 EDAB O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H](c1ccccc1)c1cccs1 40476605 OUWPXDKNURKTCZ-DOMZBBRYSA-N 343.408 1.942 0 40 EDAB Cn1c(CCNC(=O)c2nnc3ccccc3n2)nc2ccccc21 46088144 RYIYGKCFKQDQDW-UHFFFAOYSA-N 332.367 1.884 0 40 EDAB CCC[C@@H](C(=O)O)N1CCC(NS(=O)(=O)c2cccs2)CC1 568402615 OERIYAJYMAXBKV-LBPRGKRZSA-N 346.474 1.744 0 40 EDAB CN1CC[C@H](NC(=O)C[C@](O)(c2ccccc2)C(F)(F)F)C1=O 195566774 BBIPGCNGBJKSIG-FZMZJTMJSA-N 330.306 1.174 0 40 EDAB Cc1cc(CS(=O)(=O)N2CCc3ccccc3[C@H]2C(=O)O)no1 320815801 LXMJTSLIIKBRPZ-AWEZNQCLSA-N 336.369 1.497 0 40 EDAB CNC(=O)c1ccc(NC(=O)N2CCN(CC(F)F)CC2)cc1 61747817 FAXVVVSBAQKVED-UHFFFAOYSA-N 326.347 1.461 0 40 EDAB O=C(NCCOc1ccc(F)cc1)c1nc(-c2cnccn2)no1 42381603 RCWCGSJDKOUBDK-UHFFFAOYSA-N 329.291 1.475 0 40 EDAB CCN1CCN(C(=O)Cn2cc(COc3ccccc3F)nn2)CC1 227162834 XVLHBUWNZYVMBL-UHFFFAOYSA-N 347.394 1.160 0 40 EDAB Cc1ccc(/C=C(\C(=O)NCCN(C)C)n2ccccc2=O)cc1 199401549 YARJWONKPDODKP-SAPNQHFASA-N 325.412 1.833 0 40 EDAB Cc1cc(F)ccc1CN(C)C(=O)CN1C(=O)NC2(CCCC2)C1=O 577325049 WBNLXDUKUMBXGO-UHFFFAOYSA-N 347.390 1.957 0 40 EDAB CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccnnc1C 330852762 MJHGGSYKRKZUAV-ZDUSSCGKSA-N 326.422 1.318 0 40 EDAB O=C(NCCCn1ccnc1)[C@@H](c1cccc(F)c1)N1CCOCC1 96426127 AHETYMZTQQMADD-QGZVFWFLSA-N 346.406 1.602 0 40 EDAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccccc1 96186239 AKHHNFVXEABALK-HUUCEWRRSA-N 338.429 1.087 0 40 EDAB Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccco2)o1 96118286 BBUIYHJLDHELKY-GFCCVEGCSA-N 333.340 1.628 0 40 EDAB CO[C@](C)(CNS(=O)(=O)c1cnn(C)c1)c1cccc(Cl)c1 96393006 RJMARNMWDQYBOF-CQSZACIVSA-N 343.836 1.914 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 96206827 HEAFLHDBMTUSGL-AWEZNQCLSA-N 326.418 1.181 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@H](S(C)(=O)=O)C2)c1C 96098102 JXBXYFRKJJUOKE-AWEZNQCLSA-N 345.486 1.728 0 40 EDAB COCCNc1ccnc([C@@H]2COCCN2CC2CCOCC2)n1 96220490 ZYFFEGFEHCYMLR-HNNXBMFYSA-N 336.436 1.335 0 40 EDAB Cc1oncc1C(=O)N1C[C@@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 96042431 BBKBRWKCTQLDBG-OAGGEKHMSA-N 329.356 1.829 0 40 EDAB O=C(Cc1c[nH]c2cnccc12)N[C@H]1C[C@@H](NCCO)C12CCC2 1078702986 JBUDMIQADORVIB-CVEARBPZSA-N 328.416 1.115 0 40 EDAB COC(=O)c1ncn(CC(=O)c2ccc(Cl)cc2)c1C(=O)OC 98212677 DEWUBHVKEUVPQD-UHFFFAOYSA-N 336.731 1.993 0 40 EDAB Cc1noc(C)c1CN1CCC2(CCC(=O)N2CC(=O)N(C)C)CC1 96228103 MWTUXGMZDPOPMO-UHFFFAOYSA-N 348.447 1.337 0 40 EDAB O=C(Cc1ccco1)N1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1 96206769 XTQXRIQFLYBNAR-RDTXWAMCSA-N 342.399 1.874 0 40 EDAB O=C(O)[C@]12CCCN(c3ncccn3)C[C@H]1CN(c1ncccn1)C2 96064281 UUFVTBRJWHXWMH-GUYCJALGSA-N 340.387 1.074 0 40 EDAB Cc1nnc([C@H]2CN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)CCO2)o1 583623014 KVBDBURMWUDNHC-JKSUJKDBSA-N 343.383 1.898 0 40 EDAB CN1CCN(C(=O)[C@H]2C[C@@H]3CN(Cc4ccsc4)C[C@@H]3N2C)CC1 96182572 IVUQRARAZFMTCB-ZACQAIPSSA-N 348.516 1.027 0 40 EDAB Cn1c(CN2CCC[C@H](C3(C)OCCO3)C2)nc2ccccc2c1=O 97372246 KWXFLLZRXHRIQO-AWEZNQCLSA-N 343.427 1.909 0 40 EDAB O=C(O)[C@H]1CCCN(S(=O)(=O)NC2(Cc3ccccc3)CC2)C1 581882437 UXQZWTZOTRVYNX-AWEZNQCLSA-N 338.429 1.393 0 40 EDAB O=C(c1ccnnc1)N1CCc2ncc(CNc3ccccn3)n2CC1 96197117 WJVFETXLRSKXJL-UHFFFAOYSA-N 349.398 1.379 0 40 EDAB COC[C@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)Cc2ccccc2)O1 96186621 OTTNDIBDQZLMDG-PMPSAXMXSA-N 325.430 1.785 0 40 EDAB O=C(CC1CCCCC1)NCCNC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 249532681 JQQHUABSPNBODN-HITLURFISA-N 349.475 1.484 0 40 EDAB Cn1ncc2c(O)nc(NC[C@H]3CCCN(CC(F)(F)F)C3)nc21 585092348 QYNHDMYCJUHKBD-SECBINFHSA-N 344.341 1.755 0 40 EDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H](C)c1nccc(N)n1 585137625 KGJGHYNITOBYBG-JTQLQIEISA-N 338.437 1.493 0 40 EDAB CC(C)CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@]1(C2)NC(=O)NC1=O 585131819 HCWGDTDSALYFEZ-XYLOAFBBSA-N 335.448 1.942 0 40 EDAB CC(=O)N1CCN(c2cccc(NC(=O)Nc3cc[nH]n3)c2C)C1=O 585119568 LHAFHTIRKGQKBV-UHFFFAOYSA-N 342.359 2.151 0 40 EDAB COC(=O)[C@H]1[C@H](CN(C)CC(C)(C)CN2CCOCC2)C1(F)F 585116667 DRDUIBZLVWAELC-QWHCGFSZSA-N 334.407 1.331 0 40 EDAB Cc1ccc(CN2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)s1 248125499 WUQKIPBXOPRDQD-CYBMUJFWSA-N 344.502 1.587 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCNc1ccccn1 253493438 UCQSZEGDNOIYAP-ZDUSSCGKSA-N 325.434 1.324 0 40 EDAB CC(=O)N1CCC[C@H]1c1cncc(CN(C)C2CCN(C)CC2)n1 257314536 UXKMJZRVHPRWKI-SFHVURJKSA-N 331.464 1.686 0 40 EDAB CCn1cc(C(=O)N2C[C@@H](O)[C@H](N3CCc4ccccc4C3)C2)cn1 257261465 LHKNQFAWWYJONI-QZTJIDSGSA-N 340.427 1.147 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)CCN2CCOCC2)C1 257262487 LLOZBUTYEMVTBF-HNNXBMFYSA-N 347.463 1.022 0 40 EDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3cccn3C)C[C@@H]21 257315846 VCZKYYDQVPYIIM-QLFBSQMISA-N 325.416 1.802 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1Cc1ccc(Cl)cn1 257318077 VMKIALXFWLURFW-MRXNPFEDSA-N 331.807 1.762 0 40 EDAB CC(C)C(=O)N[C@H]1CCN(Cc2ccc3c(c2)OCCO3)CC[C@@H]1O 257288397 PUAQGJYVRBLQDD-HOTGVXAUSA-N 348.443 1.555 0 40 EDAB CCS(=O)(=O)NCC[C@H]1CCOC12CN(Cc1ccsc1)C2 253490100 HMIRAXPWJVVARI-AWEZNQCLSA-N 344.502 1.668 0 40 EDAB Cc1ccc([C@H](O)CNC(=O)C(C)(C)S(=O)(=O)C2CC2)cc1 252492320 MIQJJHVOBMRWOJ-CQSZACIVSA-N 325.430 1.500 0 40 EDAB CC(=O)NCc1cnc([C@@H]2CN(c3nc(C)cc(C)n3)CCO2)[nH]1 257290883 QERXNHFZUKPHRZ-AWEZNQCLSA-N 330.392 1.031 0 40 EDAB CCc1nccn1CC(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 257293856 QRMKLZQRSMUNJB-GOSISDBHSA-N 343.431 1.968 0 40 EDAB O=C(CCc1cccnc1)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257310352 UESGJNANNBPDOX-ROUUACIJSA-N 341.411 1.840 0 40 EDAB Cc1nc(NC(=O)[C@H](C)N[C@@H](C(N)=O)c2ccccc2)sc1C 1615588032 BKDBYELRQJOAIT-GXFFZTMASA-N 332.429 1.903 0 40 EDAB N[C@@H]1C[C@@H]2C[C@@H](C(=O)N3CCn4ncc(Br)c4C3)C[C@@H]21 1615552518 DRUWCPZETQZQAY-MIZYBKAJSA-N 339.237 1.361 0 40 EDAB COc1ccccc1NC(=O)Cn1nc2c(C)c(C)nc(C)n2c1=O 90610067 VSOHPNHNHPUHFX-UHFFFAOYSA-N 341.371 1.464 0 40 EDAB O=C(c1cc[nH]n1)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575403660 JPAYVWJFUBMZDW-JTQLQIEISA-N 334.376 1.723 0 40 EDAB COCCN1CC[C@]2(CN(Cc3cn[nH]c3)CC(F)(F)C2)C1=O 585093273 NAGSWNCDVBNMPF-AWEZNQCLSA-N 328.363 1.116 0 40 EDAB Cc1cc(Br)cnc1N1CCC[C@H](NS(C)(=O)=O)C1 131388531 NQABCGQQQRYJCH-NSHDSACASA-N 348.266 1.671 0 40 EDAB CCCOc1ccc2c(c1)OCC(C(=O)N1CCC[C@H](C(N)=O)C1)=C2 48311108 RDADEMMHYHMZAP-AWEZNQCLSA-N 344.411 1.975 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@H]1CSCN1C(=O)C1CCC1 69351634 ICTJMJSIGPPESV-CQSZACIVSA-N 348.472 1.465 0 40 EDAB CCc1cnc(CCNC(=O)N2CCC(N(C)C(C)=O)CC2)s1 74841516 JYPMAWPUAVOGCD-UHFFFAOYSA-N 338.477 1.900 0 40 EDAB Cn1nc(C2CCN(C(=O)Cc3cccs3)CC2)n(C2CC2)c1=O 77148619 GJIIUWXGPOTRMJ-UHFFFAOYSA-N 346.456 1.927 0 40 EDAB c1ccc(CN2CCO[C@@H]3CN(Cc4nnnn4C4CC4)C[C@@H]32)cc1 89835009 GTKCXLVIBXQIHS-DLBZAZTESA-N 340.431 1.093 0 40 EDAB COCn1nccc1S(=O)(=O)N[C@H](C)c1cc2n(n1)CCCC2 1615058851 RSMXVTQOTVYKOJ-LLVKDONJSA-N 339.421 1.059 0 40 EDAB O=S(=O)([C@@H]1C[C@@H]1c1ccccc1)N1CCO[C@]2(CCCOC2)C1 1616028868 IBSOURQWRSXUJD-BRWVUGGUSA-N 337.441 1.754 0 40 EDAB CN(C[C@H]1COCCO1)c1nnnn1CCc1ccc(F)c(F)c1 1616032881 IQWCPYZIBKUIBQ-LBPRGKRZSA-N 339.346 1.046 0 40 EDAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(N)=O)C1=O 12241928 RGAMJGHHYYPURH-GFCCVEGCSA-N 328.324 1.500 0 40 EDAB COc1ccc(S(=O)(=O)CC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12338440 ZTKNGGWKHZGTAL-TXEJJXNPSA-N 327.402 1.105 0 40 EDAB CCOc1cc(CNC2CC2)cc(Br)c1OCC(N)=O 8253710 XMMJOZWGJHEECP-UHFFFAOYSA-N 343.221 1.964 0 40 EDAB COc1ccc(CNC(=O)NC2CN(C3CCOCC3)C2)cc1OC 1888859938 XBMPRYPPENCXSI-UHFFFAOYSA-N 349.431 1.366 0 40 EDAB CS(=O)(=O)NCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 31239965 OZAWFJHRUPAGMS-UHFFFAOYSA-N 329.809 1.490 0 40 EDAB Cc1cc(N2CCC[C@H](COc3ncccn3)C2)n2ncnc2n1 1776001050 WOHXVKUZJMPQFG-ZDUSSCGKSA-N 325.376 1.518 0 40 EDAB Cn1cc(CN2CC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037839904 DZZAUZZDWRPEBI-SFHVURJKSA-N 344.390 1.567 0 40 EDAB CC1(C)OC(=O)N(CCCN2C(=O)OC(C)(C)[C@]2(C)O)[C@@]1(C)O 36872 JGBFGNPMJHHGLC-GJZGRUSLSA-N 330.381 1.255 0 40 EDAB CC1(C)C[C@@]2(C)N(CC(=O)NN2c2ccc(C(=O)O)cc2)C(=S)N1 4776470 IEOOHZJLYSOAMU-INIZCTEOSA-N 348.428 1.311 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2onc3c2CCC3)cc1 8976379 UUAAOZZVVNGHNT-UHFFFAOYSA-N 335.385 1.666 0 40 EDAB CC1=NNc2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C1 10387149 QSJGXFLFMXMEFX-UHFFFAOYSA-N 338.371 1.055 0 40 EDAB COc1ccc(CCNC(=O)c2c(O)nc3sccn3c2=O)cc1 16690013 QDISLTZCPKASHB-UHFFFAOYSA-N 345.380 1.443 0 40 EDAB CSCC[C@H](O)CNS(=O)(=O)c1c(C)nn(C(C)C)c1C 1775967633 YQUMVGPAQCNRKU-LBPRGKRZSA-N 335.495 1.473 0 40 EDAB CCc1ccc(S(=O)(=O)N2CC(N3C(=O)CSC3=O)C2)cc1 206955677 GNAJAOYQBYIJOX-UHFFFAOYSA-N 340.426 1.317 0 40 EDAB CCN1CCN(C(=O)NCc2ccc(-c3cccs3)o2)C(=O)C1=O 585366959 BJDRPDZIJCMXDG-UHFFFAOYSA-N 347.396 1.908 0 40 EDAB O=C(O)[C@@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 108523355 LZMUKDFGKJKUTL-ZQDZILKHSA-N 342.395 1.461 0 40 EDAB biogenic O=C(NCC[C@H]1CCCO1)c1ccc(S(=O)(=O)NC2CC2)o1 30600632 LTIZBAUQERZJIE-LLVKDONJSA-N 328.390 1.019 0 40 EDAB CC[C@@](C)(CNC(=O)NCc1ccc2c(c1)OCO2)N1CCOCC1 31094217 FKZAFJKXJKYLAH-SFHVURJKSA-N 349.431 1.715 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CCO3)cc1 40498992 ZGCYAAULTSTOPG-UHFFFAOYSA-N 346.408 1.460 0 40 EDAB COc1cccc(C(=O)NCCNC(=O)Cn2nc(C)cc2C)c1 31608640 QUAWQRZBIVEPAG-UHFFFAOYSA-N 330.388 1.055 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)c2)cc1C(N)=O 40512723 QUYQOHNRARJOHF-UHFFFAOYSA-N 348.428 1.033 0 40 EDAB O=C(N[C@@H]1CCCCNC1=O)c1cnn(Cc2ccccc2Cl)c1 40521708 XRLNBBVBJHHUBE-OAHLLOKOSA-N 346.818 1.983 0 40 EDAB CN1CCN(c2nnc(N3CCN(C)CC3)c3ccccc23)CC1 137162 BAZVXJVWCPUEGU-UHFFFAOYSA-N 326.448 1.133 0 40 EDAB Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)OCCO3)c1 45908325 GHSBUDGYJDIVSJ-CQSZACIVSA-N 332.400 1.479 0 40 EDAB Cc1cnc(NCCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)nc1C 101870190 XNNDJVFVCHZJIG-ZQDZILKHSA-N 326.400 1.703 0 40 EDAB Cc1cnc(NCCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)nc1C 101870193 XNNDJVFVCHZJIG-AJNGGQMLSA-N 326.400 1.703 0 40 EDAB CC(C)NC(=O)CN1CCCN(c2ncnc3ccccc23)CC1 32777834 QTYUANWGGYTMQR-UHFFFAOYSA-N 327.432 1.667 0 40 EDAB CN(C)[C@H](CNC(=O)c1cnc2ccccn2c1=O)c1ccccc1 32899969 RTFCARHRLIDZGH-MRXNPFEDSA-N 336.395 1.727 0 40 EDAB Cc1cc(C)cc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)c1 10111383 PLLPMCBQWUAXRS-UHFFFAOYSA-N 341.477 1.137 0 40 EDAB Cc1cc(-c2ccccc2)nn1-c1nc2c(c(=O)[nH]c(=O)n2C)n1C 493772 RQMHTJLFWNKCKJ-UHFFFAOYSA-N 336.355 1.121 0 40 EDAB COCCNC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10336033 WRPBPHNZYFDXEY-NSHDSACASA-N 348.852 1.566 0 40 EDAB COc1cc(C(=O)N2CCN(C(=O)c3cnccn3)CC2)ccc1C 46648493 ZYPVIZHABARGOT-UHFFFAOYSA-N 340.383 1.392 0 40 EDAB O=C(CN1CCN(CCSc2ccccc2)CC1)NCC1CC1 52805197 VBXZWQLQUAHERP-UHFFFAOYSA-N 333.501 1.923 0 40 EDAB Cc1cccc(-n2nnn([C@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)c1C 103003862 XTYSWVFUHYWRRK-YUTCNCBUSA-N 332.385 1.671 0 40 EDAB C[C@@H](NC(=O)c1c(I)cnn1C)[C@@H]1CCCO1 2775184 FQBYRUSKGSGUOG-APPZFPTMSA-N 349.172 1.322 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCOCC2)nc1 22188584 QYVSMHMRJOKABX-LBPRGKRZSA-N 344.371 1.268 0 40 EDAB C[C@H]1CN([C@@H](C)CNCc2ccc(-n3cncn3)c(F)c2)C[C@@H](C)O1 46836511 APKFZNRRGGZIJA-SOUVJXGZSA-N 347.438 1.994 0 40 EDAB C[C@@]1(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)CCS(=O)(=O)C1 22552645 CCEPETVSHDZEPN-GOSISDBHSA-N 349.452 1.832 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NCc1ccc(S(C)(=O)=O)cc1 46923708 VKXBRWUQXHHWQG-UHFFFAOYSA-N 336.417 1.165 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CC[C@H]2CCCC[C@H]2C1 53757963 SZZAOBQRYQGTNJ-KGLIPLIRSA-N 341.411 1.729 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCC(C)(C)CN(C)C)C1 42386514 RIKDFGXPNDLYHC-AWEZNQCLSA-N 347.525 1.142 0 40 EDAB CCn1nc(C)c2c1cnn2CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 57279851 VHOQZHCWVSVLNZ-STQMWFEESA-N 345.403 1.344 0 40 EDAB O=C(O)C1=C[C@@H](c2ccccc2)c2c(nc(N3CCCC3)[nH]c2=O)N1 102277083 KWAXHKYOKWSHOS-LBPRGKRZSA-N 338.367 1.896 0 40 EDAB CN(C)c1cc2c(cc1NC(=O)c1ccco1)n(C)c(=O)c(=O)n2C 20428078 XHUHKVMFBZVWFQ-UHFFFAOYSA-N 342.355 1.149 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)c2cc(=O)c(OC)c[nH]2)n1 61718526 SUXFWDMTZNVWBM-UHFFFAOYSA-N 337.357 1.198 0 40 EDAB CN(C)[C@@H](CNC(=O)CCN1C(=O)CCC1=O)c1cccc(F)c1 27593500 YBKIMWIPGBNKFQ-AWEZNQCLSA-N 335.379 1.084 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-n2cccn2)nc1 12522051 YXXAPDWJRXDZGE-UHFFFAOYSA-N 342.380 1.923 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1nc(C)n2c1CCCC2 102699107 NPVARZJLIAHPKG-NZBPQXDJSA-N 331.416 1.845 0 40 EDAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cn1 12565027 UCAQOIWAMQKXHJ-UHFFFAOYSA-N 347.396 1.453 0 40 EDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(C(=O)C2CC2)CC1 24593285 PDPQVSGBMAGUQS-LBPRGKRZSA-N 345.399 1.297 0 40 EDAB C[C@@H]1CCCN(C(=O)c2nnc3ccc(N4CCOCC4)cc3n2)C1 57280170 CNBGDFPQRGTFLV-CYBMUJFWSA-N 341.415 1.734 0 40 EDAB O=C(COC[C@@H]1C[C@H]2OCCN(c3ncccn3)[C@@H]2C1)N1CCCC1 107257951 SZLHCSQKAVYJOF-ARFHVFGLSA-N 346.431 1.099 0 40 EDAB CC(C)[C@H](C(=O)N(C)C1CCS(=O)CC1)N1C[C@H](C)O[C@H](C)C1 106917338 OZTXSULHRQAAFI-AKFFVJPESA-N 344.521 1.490 0 40 EDAB CCOC(=O)c1ccc(N2CCC[C@H]2C(=O)NCC(F)(F)F)nc1 25570735 LBVVEZTWDCVLHC-NSHDSACASA-N 345.321 1.906 0 40 EDAB CCOC(=O)C1CCN(C[C@H](O)COCc2cccs2)CC1 3215848 BKPIMSOQVFURHI-AWEZNQCLSA-N 327.446 1.901 0 40 EDAB CC(C)[C@@H]1Cc2c(sc3nc(SCC(N)=O)nc(N)c23)CO1 1806467 NXDVHSIWJCWMEP-QMMMGPOBSA-N 338.458 1.948 0 40 EDAB CN1CC[C@H](C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CC1=O 44623093 GETBUHSVQUJAAN-DLBZAZTESA-N 345.443 1.045 0 40 EDAB C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(Cl)cc1 10087144 DYFVUHGNZMXAIA-JTQLQIEISA-N 345.790 1.661 0 40 EDAB O=S1(=O)CC[C@@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)C1 44789919 AOYBZTYKEDVPMQ-LBPRGKRZSA-N 341.454 1.328 0 40 EDAB CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(OC)nc2)CC1 48018470 GMLKFGWXKOAVFQ-ZDUSSCGKSA-N 349.435 1.154 0 40 EDAB C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCO)CC(=O)N21 2105554 NBSFBPWFMYFHGY-NHYWBVRUSA-N 327.384 1.207 0 40 EDAB biogenic O=C(NCCCOC[C@H]1CCCO1)Nc1cccnc1-n1cccn1 48197767 LYJINDCXRAPUSF-CQSZACIVSA-N 345.403 1.975 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CN1CCSC1=O)c1ccc(F)cc1 10656551 SAXYAIVMLSECOV-CQSZACIVSA-N 348.403 1.934 0 40 EDAB CCOC(=O)C(CC)(CCC(=O)Nc1nncs1)C(=O)OCC 2371261 ZQHHMTWIZYKPSO-UHFFFAOYSA-N 343.405 1.779 0 40 EDAB COc1ccc(C)cc1[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 12738571 FLQQKWLBNIWDHZ-LBPRGKRZSA-N 345.399 1.499 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccn1 45560129 COONNCMRPUCCLA-LLVKDONJSA-N 334.401 1.289 0 40 EDAB Cc1nn(CC(N)=O)c(=O)c2nn(-c3ccccc3Cl)c(C)c12 36646274 MXBVQXRNKCWYIH-UHFFFAOYSA-N 331.763 1.338 0 40 EDAB CC(C)c1cc(C(=O)NCc2cccnc2N2CCOCC2)n[nH]1 48289350 XYNCAQFCUCWJBR-UHFFFAOYSA-N 329.404 1.695 0 40 EDAB O=C1CN(c2ccc(NC(=O)NCCc3ccccc3)cc2)CCN1 48342736 LMJROYLUJQBFEG-UHFFFAOYSA-N 338.411 1.987 0 40 EDAB CCOC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 3464577 XEVPABXQPFRQRU-OAHLLOKOSA-N 342.298 1.618 0 40 EDAB COc1cccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)c1OC 3586486 LHNMGBMSMBPEHP-UHFFFAOYSA-N 337.420 1.760 0 40 EDAB O=S(=O)(NCCCOCC1CC1)c1ccc2c(c1)OCCO2 12911115 ZHVAEPUYSJLVCM-UHFFFAOYSA-N 327.402 1.553 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N(C)OC)cc1 12921636 LMSBNVBYDUQJEO-FMIVXFBMSA-N 326.418 1.750 0 40 EDAB Cn1ccnc1[C@@](O)(CCNC(=O)NCC(F)(F)F)C(F)(F)F 48772832 IVLALDIBKWMXCS-VIFPVBQESA-N 348.247 1.422 0 40 EDAB Cc1cc(OCC(=O)OCC(=O)NC[C@H]2CCCO2)ccc1Cl 8276869 MTHUDHKUXADFGZ-CYBMUJFWSA-N 341.791 1.866 0 40 EDAB Cc1nc(N2CCN(C[C@H](C)O)CC2)c2c3c(sc2n1)CCC3 69844532 FCPDIBSWVNOZTE-NSHDSACASA-N 332.473 1.991 0 40 EDAB Cc1nc2cc(C(=O)NC[C@H]3CN(CC(C)C)CCO3)ccc2n1C 69322709 UDXNLTFCICNPKR-INIZCTEOSA-N 344.459 1.968 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1CCNC(=O)C[C@@H]1c1ccccc1 69329378 QSIFFNNSJZJPMJ-DOTOQJQBSA-N 329.444 1.951 0 40 EDAB O=C(CN1CCO[C@@H](Cn2cccn2)C1)N1CCc2ccccc21 69392122 XLNRUTUANDCCNB-MRXNPFEDSA-N 326.400 1.173 0 40 EDAB O=c1cc(NC[C@H](O)COc2ccc(F)cc2)nc2ccccn12 69971922 SXVZTHXDCZCRFM-ZDUSSCGKSA-N 329.331 1.685 0 40 EDAB CCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 5261678 LYAULIIFPDSAKW-UHFFFAOYSA-N 343.474 1.484 0 40 EDAB Cc1cnc(C(=O)Nc2cc(F)ccc2N2CCN(C)CC2)cn1 69920364 PQONRWAXCRUKLK-UHFFFAOYSA-N 329.379 1.928 0 40 EDAB CN(CC(=O)Nc1ccncc1)[C@@H]1CCCN(c2cccnn2)C1 69920213 IYAZIOMRGZJLEV-OAHLLOKOSA-N 326.404 1.411 0 40 EDAB Cc1cc(F)ccc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 14185528 IOJHERWFFUQDNP-UHFFFAOYSA-N 348.378 1.832 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1 69520552 UVIPMCNBVVYJJB-JSMQFAGNSA-N 327.428 1.802 0 40 EDAB CC(=O)N1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCCC2)CC1 65611918 BKVBNYMPFKQCPR-UHFFFAOYSA-N 339.436 1.515 0 40 EDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccnc(C)n1 65620503 PZHBPMQYIOCVQP-INIZCTEOSA-N 338.367 1.780 0 40 EDAB CCn1cc(S(=O)(=O)Nc2ccn(Cc3ccccc3)n2)cn1 14231433 USSHKQDUHMDKOY-UHFFFAOYSA-N 331.401 1.949 0 40 EDAB C[C@H](NCC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)N(C)C 69585073 VRTNPPCRVXOXJT-MAUKXSAKSA-N 333.476 1.498 0 40 EDAB CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(N2CCCC2)cn1 69532863 DZOGMCQNXASEEL-ZDUSSCGKSA-N 334.445 1.932 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)OC 69622238 WDTDKCDGPJXQQQ-MEDUHNTESA-N 338.379 1.188 0 40 EDAB O=S1(=O)C[C@H]2NC(=S)N(c3ccc(Cl)c(Cl)c3)[C@H]2C1 6662108 ACOUTAHIHHHGKA-ZJUUUORDSA-N 337.253 1.854 0 40 EDAB C[C@H](O)CN1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 69948959 LKGYPCIUQHFWKK-HKUYNNGSSA-N 345.487 1.739 0 40 EDAB CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NC[C@@H]2CCCO2)C1 69977874 HGERCZHPQROXOT-ZNMIVQPWSA-N 325.453 1.892 0 40 EDAB Cc1nn(CCO)c(C)c1CNCCNC(=O)Cc1cccc(F)c1 69948714 ICNUWYYCEYVXFU-UHFFFAOYSA-N 348.422 1.080 0 40 EDAB C[C@H](Nc1cccc(NC(=O)CO)c1)C(=O)NCc1ccc(F)cc1 66582867 QRPAOCWGENUAGM-LBPRGKRZSA-N 345.374 1.873 0 40 EDAB C/C(NCc1ccco1)=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 5901345 SHVAODZHNWYFND-KAMYIIQDSA-N 325.324 1.926 0 40 EDAB CCC(CC)c1nnc(NC(=O)N2CCS(=O)(=O)CC2)s1 67538032 QWWRKJDJUQCYHN-UHFFFAOYSA-N 332.451 1.704 0 40 EDAB CCOc1ccccc1NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 67557951 FIFHYDSLDKCRQU-GFCCVEGCSA-N 341.433 1.631 0 40 EDAB COC(=O)[C@@H](O)C1CCN(CCN2CCCc3ccccc32)CC1 90565224 PJHPGKYDTAEFBC-SFHVURJKSA-N 332.444 1.685 0 40 EDAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C)C[C@H]2C3)cc1 306126667 FBPAMOQHBYFQJM-NEPJUHHUSA-N 327.388 1.273 0 40 EDAB O=C(NCCn1ccnn1)N[C@H]1CCCN(Cc2ccccc2)C1 96007835 XRSPVUMCGFOAIM-INIZCTEOSA-N 328.420 1.242 0 40 EDAB Cn1cc(NC(=O)NCC2(CN3CCOCC3)CCCCC2)cn1 83542795 HQULYUYMVJMWDH-UHFFFAOYSA-N 335.452 1.824 0 40 EDAB CCCN1CCCN(C(=O)CCc2c(C)nc3ncnn3c2C)CC1 71853897 MLQTZGHHXCDZBD-UHFFFAOYSA-N 344.463 1.618 0 40 EDAB CN1C[C@H](C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CC1=O 71886319 UTYJOXBXEDJWSB-YPMHNXCESA-N 336.363 1.800 0 40 EDAB Cc1cccn2c(=O)cc(CN3CCCC[C@H]3Cn3cncn3)nc12 71876199 BRSWECQQZVWBED-INIZCTEOSA-N 338.415 1.649 0 40 EDAB CCc1n[nH]c([C@H]2CN(CC(=O)NCCC3=CCCCC3)CCO2)n1 83830083 BAUBXODUGSHHFA-OAHLLOKOSA-N 347.463 1.747 0 40 EDAB CN(C[C@@H]1CN(C[C@H](O)c2ccccc2)CCO1)c1cccnn1 83859242 RNAQDVLCBTXRHJ-SJORKVTESA-N 328.416 1.347 0 40 EDAB Cc1cccc(CN2CCN(C(=O)COCc3nc(C)no3)CC2)c1 71907582 SNOGUXXTKHYSMC-UHFFFAOYSA-N 344.415 1.547 0 40 EDAB O=C1NCCN(C(=O)[C@@H]2CCCO2)[C@@H]1c1ccccc1C(F)(F)F 97081671 BXHQSZAMQPOVPV-QWHCGFSZSA-N 342.317 1.884 0 40 EDAB Cc1cccc(N(Cc2ccccc2)C(=O)c2cn(CC(N)=O)nn2)c1 76066014 MSLRHIQMRXOHTG-UHFFFAOYSA-N 349.394 1.919 0 40 EDAB O=C(CCCC1CCCCC1)N1CCN(C(=O)Cn2cnnn2)CC1 97513095 OKLRVNFEGBAYBY-UHFFFAOYSA-N 348.451 1.095 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2ccccn2)C1 84671362 ADTALZQDKSYZJH-MRXNPFEDSA-N 341.415 1.965 0 40 EDAB CCc1nc(C)ncc1C(=O)NCC(C)(C)N1CCC(N(C)C)CC1 95398540 WTYHHZMONVBXPX-UHFFFAOYSA-N 347.507 1.882 0 40 EDAB O=C([C@H]1CCCN(Cc2cc(=O)c(O)co2)C1)N1CCCCCC1 77174146 KBJGSHSZXJXNDO-AWEZNQCLSA-N 334.416 1.960 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCCCC2)nc1 73323983 STIZCUIXOPRDEJ-CYBMUJFWSA-N 337.445 1.835 0 40 EDAB C[C@@H](NC(=O)COCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCO1 23196527 VNWZXJSEXNRIQW-RISCZKNCSA-N 331.372 1.123 0 40 EDAB O=C(O)[C@@H]1COCCN1C(=O)c1cc(Br)ccc1F 88374609 UAFOVIAZFZARSK-JTQLQIEISA-N 332.125 1.514 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(CC(=O)Nc3nccs3)CCO2)n1 78879707 YBDGUHPYVSUALF-SNVBAGLBSA-N 336.421 1.397 0 40 EDAB O=C1C[C@@H](C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)CN1 95983092 BEHIGCQFDAIDJI-OAHLLOKOSA-N 338.411 1.147 0 40 EDAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H]1CC(O)=NC1=O 64033629 XUCUCDACASXVNB-OCCSQVGLSA-N 348.355 1.736 0 40 EDAB Cc1nc(CN2CCOC[C@@]3(CC[C@@H](Cn4cncn4)O3)C2)cs1 306125978 DHYBGLRXBNKXML-JKSUJKDBSA-N 349.460 1.493 0 40 EDAB CCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217496182 KIPZCMLLBRQMMH-LBPRGKRZSA-N 342.417 1.664 0 40 EDAB CCn1ncc(CNC(=O)NCc2ccccc2-n2ccc(C)n2)n1 527822632 RKZKTUUWFBZWCV-UHFFFAOYSA-N 339.403 1.792 0 40 EDAB Cc1cccnc1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 75164246 BMLNQKOAHZXXRI-OAHLLOKOSA-N 325.368 1.756 0 40 EDAB Cc1cc(N2CCC(C(=O)NCCC(C)C)CC2)n2ncnc2n1 35313382 UVPXRQGCMZYFJA-UHFFFAOYSA-N 330.436 1.811 0 40 EDAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2nccs2)CC1 72209419 DOFSVBBVPISRMZ-UHFFFAOYSA-N 333.435 1.385 0 40 EDAB Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1 32768044 RKWGEGZQZIFPDY-LLVKDONJSA-N 337.401 1.905 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC 218585056 MPSWWIWTYUUGEJ-VNHYZAJKSA-N 329.393 1.234 0 40 EDAB Cn1cc(C(=O)NC2CCN(c3nc(C(C)(C)C)ns3)CC2)cn1 1057841561 CEUPDNPITJEHQX-UHFFFAOYSA-N 348.476 1.968 0 40 EDAB CCCc1nc(CN2CCN(c3ncccc3C(N)=O)CC2)cs1 79354093 QHTCVWGFCDSCLF-UHFFFAOYSA-N 345.472 1.912 0 40 EDAB CNc1cccc(C[C@H]2COCCN(C(=O)c3cnn(C)c3)C2)n1 72388181 DNQNULSVIXXCGS-CYBMUJFWSA-N 329.404 1.188 0 40 EDAB COc1cnc(C2(O)CCN(C(=O)c3ccco3)CC2)c(OC)n1 72342902 LPRFPYABYLWUIZ-UHFFFAOYSA-N 333.344 1.211 0 40 EDAB CS(=O)(=O)c1ccc(O[C@H]2COCCN(C(=O)C3CC3)C2)cc1 77265723 KHEWEVHKSRKEHC-CQSZACIVSA-N 339.413 1.106 0 40 EDAB biogenic,in-vitro CC(=O)NC[C@H]1CN([C@@H](C(=O)O)c2c(F)cccc2Cl)CCO1 563280172 LSPFFFCJRTYAAB-IINYFYTJSA-N 344.770 1.442 0 40 EDAB Cc1ccc([C@H]2CN(c3nc(C)c(S(N)(=O)=O)s3)CCO2)o1 225778161 JRJCANJSYAPYJU-LLVKDONJSA-N 343.430 1.578 0 40 EDAB O=C1[C@@H](N2CC[C@@H](O)C2)CCN1c1cccc(Br)c1 192072913 XAFLLVGZDXJGTC-OLZOCXBDSA-N 325.206 1.621 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)N(C)CCN1C[C@H](C)O[C@H](C)C1 195000620 GUWWSCUADLFGDQ-BETUJISGSA-N 337.468 1.288 0 40 EDAB C[C@@H](O)CNC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 192487433 TWXYKYUYHNRJNK-BXUZGUMPSA-N 345.365 1.960 0 40 EDAB Cc1cc(SC#N)ccc1NC=C1C(=O)N(C)C(=O)N(C)C1=O 47080887 CGLFLOJYJMCTLG-UHFFFAOYSA-N 330.369 1.914 0 40 EDAB COc1ccc2c(c1)CCN(C(=O)c1nc(-c3cnccn3)no1)C2 42381574 AAEKYQLUOOYMQJ-UHFFFAOYSA-N 337.339 1.734 0 40 EDAB Cc1ncc(CNC[C@@](C)(O)c2cnn(C)c2)n1-c1ccccc1 84046959 BUQZYDFMISALEU-GOSISDBHSA-N 325.416 1.912 0 40 EDAB CCOC(=O)[C@@H](N)CS[Sn](C)(C)Cl 195752236 NXHPXLRXSGCGLY-NDNWHDOQSA-L 332.441 1.551 0 40 EDAB COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3nccs3)C[C@H]21 96043315 SUAKGTQJDHYLMD-HZSPNIEDSA-N 339.461 1.133 0 40 EDAB CC(C)CN1C(=O)[C@]2(C[C@@H]2C(=O)N2CCN(C)CC2)c2ccccc21 96243467 QCTUDPKUGWHRJR-OXQOHEQNSA-N 341.455 1.721 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 583616264 ARAIVNVKJSFVPZ-MCIONIFRSA-N 343.449 1.015 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 583616297 CZFAXROQSYMJKT-BZUAXINKSA-N 325.430 1.546 0 40 EDAB Cn1cc(CN2CCC3(CC[C@H]3NC(=O)c3cnccn3)CC2)cn1 96051485 BKNDTMHKOFWOHD-MRXNPFEDSA-N 340.431 1.385 0 40 EDAB C[C@H]1[C@@H](C)N(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC[S@@]1=O 96428110 YOKFEQFFKOVIFS-SMPFOWEGSA-N 341.376 1.634 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccco2)Cc2nccn2C1 96059124 YLSMMWIXFSNIDI-CQSZACIVSA-N 332.404 1.213 0 40 EDAB CCOc1ccccc1OCCN1CCC[C@](O)(c2cnn[nH]2)C1 583617942 MFBQWKMNXDHICX-QGZVFWFLSA-N 332.404 1.566 0 40 EDAB CN1CCN(C(=O)c2n[nH]c3c2CCN(Cc2ccccc2)C3)CC1 96066660 SASHALKKTSDVGJ-UHFFFAOYSA-N 339.443 1.356 0 40 EDAB COCCn1cnc2nnc3ccc(C(=O)N4CCOCC4)cc3c21 96264255 MIUKPBVTMSDKPN-UHFFFAOYSA-N 341.371 1.098 0 40 EDAB Cc1cc(C(=O)N2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)[nH]n1 96077524 QWRZSCZEWMFEAD-KRWDZBQOSA-N 325.372 1.382 0 40 EDAB COc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)nnn1Cc1ccccc1 96183493 ZSAOELYBXCKVNG-CHWSQXEVSA-N 330.388 1.584 0 40 EDAB O=C([C@@H]1COC2(CCN(Cc3ccccc3)CC2)C1)N1CCOCC1 96224890 PHIIIRDUAZJLNS-SFHVURJKSA-N 344.455 1.917 0 40 EDAB Cc1cc(I)cnc1NC(=O)[C@H]1CCOC1 96441308 QSWOJHPAOZJDGK-QMMMGPOBSA-N 332.141 1.970 0 40 EDAB Cc1nc(CN2C[C@H]3OC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)cs1 96216181 OBWPUJLYMRRYHI-HZSPNIEDSA-N 345.428 1.327 0 40 EDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccc(C)o1 96045367 CWIRFHKYAFMIPO-CQSZACIVSA-N 330.388 1.976 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H](Cn2nccn2)C(C)C)ccc1F 238858339 KFMSCFWBPHJUJX-AWEZNQCLSA-N 326.397 1.729 0 40 EDAB CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1ccncc1)C2 96060873 LNIGINRCULHNSV-INIZCTEOSA-N 344.463 1.371 0 40 EDAB CCc1ccc(CN2C[C@@H]3COC[C@H](C(=O)N4CCOCC4)[C@@H]3C2)o1 96040717 SEHLQGNIXYNZPA-OLMNPRSZSA-N 348.443 1.395 0 40 EDAB CC(C)[C@H]1CN(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)CCS1 96440621 UMHXEPRQMNGODO-HUUCEWRRSA-N 339.509 1.806 0 40 EDAB CN(C)CCN1CCOC[C@]2(CCCN(C(=O)c3ccccc3)C2)C1 96228840 CYZIAULZBSVDCZ-HXUWFJFHSA-N 345.487 1.803 0 40 EDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCc1cccnc1-n1cccn1 96421460 FGRZEFTWYDEFJD-KFWWJZLASA-N 341.415 1.880 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2nccs2)Cc2cncn2C1 96209188 KEVSDVRGSWORRE-ZDUSSCGKSA-N 349.460 1.076 0 40 EDAB CCS(=O)(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1 96046914 PRSSJSKSUCGFJN-UHFFFAOYSA-N 337.445 1.246 0 40 EDAB CCOC[C@H]1CN(C(=O)c2cc(C)nn2CC)Cc2nnn(C)c21 96045441 UYUWVKREVIISAH-GFCCVEGCSA-N 332.408 1.116 0 40 EDAB CN(C)CC(=O)N1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 96040131 IVUZTXOXRJTESO-PKOBYXMFSA-N 347.459 1.558 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@H]2CCN(c3cccnc3)CC[C@H]21 247291502 BDFGEYYEAKPEBL-CVEARBPZSA-N 337.445 1.243 0 40 EDAB O=C(CC1CCCCC1)NCCNC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 249532679 JQQHUABSPNBODN-DTJSUFBGSA-N 349.475 1.484 0 40 EDAB Cc1cc(CN2CC3(C[C@@H](OCC(=O)N(C)C)CS3)C2)no1 247981572 JMGQBMCNFJGKPD-CYBMUJFWSA-N 325.434 1.148 0 40 EDAB CCn1cc(C(=O)N2CC[C@H]3[C@H](C2)C[C@](C)(CO)N3C(C)=O)c(C)n1 257231008 GEUNSGDFLMOZQD-QILLFSRXSA-N 348.447 1.045 0 40 EDAB O=C(CCn1ccccc1=O)NCc1ccnc([C@@H]2CCCOC2)n1 257331307 XSHGZIVCVHYLTL-CQSZACIVSA-N 342.399 1.239 0 40 EDAB Cc1ncoc1C(=O)N1CCOC[C@@H](Cc2cn3ccnc3cn2)C1 257256584 KMCKNBPDTAOUIW-ZDUSSCGKSA-N 341.371 1.357 0 40 EDAB Cc1ccc(O)c(C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 41419876 OTMOAYGEVGPFNU-QGZVFWFLSA-N 336.457 1.638 0 40 EDAB C[C@H](N[C@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ncn(C)n1 585117646 PZXBIMMSCSUGBR-AGIUHOORSA-N 339.440 1.490 0 40 EDAB C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)C[C@H]1CN(C)CCO1 585115742 QKXFJDHQFSIJKA-IUODEOHRSA-N 330.425 1.479 0 40 EDAB C[C@@H]1CCCCN1C(=O)CSc1ccc(S(N)(=O)=O)cc1 585135744 ZMLNWLQXFMODBG-LLVKDONJSA-N 328.459 1.827 0 40 EDAB C[C@H]1CO[C@H](CO)CN1Cc1cnc(SC(F)(F)F)n1C 585117226 VMTDJBCPGIOXSN-WPRPVWTQSA-N 325.356 1.614 0 40 EDAB Cc1c(NC(=O)COC[C@@H]2CCCO2)nnn1-c1ccc(F)cc1 585125995 KREKXSHFICFTDO-AWEZNQCLSA-N 334.351 1.849 0 40 EDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(CC(=O)N2CCCC2)C3)n1 253601257 NNGLPBCQJLQZEK-HNNXBMFYSA-N 346.431 1.020 0 40 EDAB Cc1cc(C(=O)N2CC[C@](O)(CN3CCc4ccccc4C3)C2)no1 257276130 NSLODUSDCBFEFD-IBGZPJMESA-N 341.411 1.618 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3cnn(C)c3)[C@@H]3CCNC[C@H]23)cc1 257283446 OYJJXLOWSZKZTE-KZNAEPCWSA-N 340.427 1.646 0 40 EDAB CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1O 257202593 AMNYAJDEEJNOJU-IAGOWNOFSA-N 329.375 1.538 0 40 EDAB CNc1cc(CC[C@@H]2CN(C(=O)Cc3cccnc3)CCO2)ccn1 257270454 MUHDCKHEWKKKAE-QGZVFWFLSA-N 340.427 1.921 0 40 EDAB C[C@](CNC(=O)[C@H]1COc2ccccc2O1)(C(=O)O)c1ccccc1 263340177 XFOPPPHWRIUUSZ-VQIMIIECSA-N 341.363 1.985 0 40 EDAB Cc1ccnc2nc(C(=O)Nc3cc([C@H]4CCCOC4)nn3C)nn12 279700265 VWMOGKCKPPWSAO-NSHDSACASA-N 341.375 1.313 0 40 EDAB CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H]1CCCN(c2cccnn2)C1 279130815 YBXPJUQOCBCZPU-JKSUJKDBSA-N 345.447 1.257 0 40 EDAB CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C=C2CCC2)CC1 1616037726 PPFJVOQGHVAFLZ-SFHVURJKSA-N 341.455 1.598 0 40 EDAB CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1CCCOc2c(Cl)cccc21 1616037851 MYSQQPNKCZDDOS-HZSPNIEDSA-N 345.848 1.955 0 40 EDAB CCC(=O)N1CCc2cc(Br)c(S(N)(=O)=O)cc21 1615604929 GZRAMZSUMLQSTO-UHFFFAOYSA-N 333.207 1.396 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCC(Oc2cccnn2)CC1 96119371 DZGDAUWKLFOAPD-UHFFFAOYSA-N 349.412 1.717 0 40 EDAB CC(=O)c1sc(NC(=S)N[C@@H]2C=CS(=O)(=O)C2)nc1C 575423393 PWWXSLHQLLKMKJ-MRVPVSSYSA-N 331.444 1.251 0 40 EDAB CN(C)CCN(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 575420874 KQJKBBIEPDBBPW-HNNXBMFYSA-N 330.881 1.891 0 40 EDAB COC[C@H](C)NC(=O)c1nc2c(o1)CCN(Cc1cc(C)nn1C)C2 585111496 BWANOAICQLQXOP-LBPRGKRZSA-N 347.419 1.040 0 40 EDAB COCCN1CCC[C@@]2(CCC(=O)N2CC(=O)N2CCCC2)CC1 585100814 XRRSGYMAURZVES-GOSISDBHSA-N 337.464 1.102 0 40 EDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2ccncc2)Cc2ccnn21 585112476 RTARXZDXVUVAED-INIZCTEOSA-N 349.460 1.164 0 40 EDAB Cn1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1=O 42112465 MVVXQPKIEHRHKF-UHFFFAOYSA-N 338.411 1.865 0 40 EDAB O=C(O)[C@H](C(=O)NCc1ccnc(-n2ccnc2)c1)C1CCCC1 852950291 OMMLIZRSPJHBTR-HNNXBMFYSA-N 328.372 1.775 0 40 EDAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2nncs2)C1 57894384 HZVPYNPTNZVHCH-GFCCVEGCSA-N 345.384 1.675 0 40 EDAB O=C(NCCCS(=O)(=O)c1ccccc1)NCc1ccccn1 66873390 HZFXJCZMOZHHGF-UHFFFAOYSA-N 333.413 1.745 0 40 EDAB C[C@H](O)CN1CCC(CNCc2cnc(N3CCCC3)nc2)CC1 69349816 LXXANYXTPXHCDQ-HNNXBMFYSA-N 333.480 1.259 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCN([C@H](C)c3nc(C)no3)CC2)on1 69434492 YZOQAFKTEZHFGY-NWDGAFQWSA-N 348.407 1.380 0 40 EDAB CCc1noc([C@@H](C)N2CCN(c3nn4cc(C)nc4s3)CC2)n1 69436225 ZHWLVIWGMSDRIJ-LLVKDONJSA-N 347.448 1.928 0 40 EDAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCc2cncnc2C1 69629835 WCVKWQHRKZROAU-GFCCVEGCSA-N 340.383 1.268 0 40 EDAB CS(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 69628357 ZOJREPZSUAQFGP-KGLIPLIRSA-N 337.397 1.837 0 40 EDAB C[C@@H]1CN(CCN2CCCC2=O)CCN1C[C@H](O)c1ccccc1 69846249 ZAVSZZGLSJBDHM-AEFFLSMTSA-N 331.460 1.349 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NCc1ccc(N2CCCC2=O)cc1 65443503 PBWHAGKCJYOXFH-AWEZNQCLSA-N 341.415 1.898 0 40 EDAB O=S(=O)(NCCN1CCCC[C@@H]1Cn1cncn1)c1ccccc1 71876400 GPABIUBIKALUKB-OAHLLOKOSA-N 349.460 1.111 0 40 EDAB Cc1noc(COC(=O)c2cc(Br)cnc2N(C)C)n1 71904838 LZTIEYCCQKHLCR-UHFFFAOYSA-N 341.165 1.959 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N(CC)[C@H]1CC(=O)NC1=O)=C2 85994079 BQWGSZDPHWUMNL-ZDUSSCGKSA-N 344.367 1.125 0 40 EDAB O=C1NCCCC[C@H]1Sc1nnnn1-c1ccc2c(c1)OCCO2 75340996 QZOPFYJXKPQQAR-CYBMUJFWSA-N 347.400 1.194 0 40 EDAB Cc1cc(C)cc(NC(=O)C(=O)NCC2(OCCO)CCCC2)c1 888107117 NQTQRXBTCCWVTI-UHFFFAOYSA-N 334.416 1.680 0 40 EDAB NC(=O)Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O 12183464 BUQLAGLOQUJJMQ-UHFFFAOYSA-N 333.351 1.120 0 40 EDAB COc1cccc(-c2cc(CC(=O)N3CCC(C(N)=O)CC3)no2)c1 12866033 UBFORJLYFMFOGT-UHFFFAOYSA-N 343.383 1.617 0 40 EDAB Cc1ccoc1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)cc1 14676603 VIPJIIOLXORKSV-UHFFFAOYSA-N 334.303 1.639 0 40 EDAB Cc1csc(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1 16493478 MPSXJSDSUKNPAS-UHFFFAOYSA-N 331.441 1.957 0 40 EDAB COc1ccc(C)cc1N1C(=O)C[C@H](N2CCC(C(=O)O)CC2)C1=O 18063730 DZFIYXOVJPMXON-AWEZNQCLSA-N 346.383 1.432 0 40 EDAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1C[C@H](C)Cc1ccc2c(c1)OCO2 19575836 BEERMGACMMQTOF-YQFWSFKMSA-N 332.444 1.733 0 40 EDAB CN(C)c1cc(CNC(=O)Cc2cccnc2)nc(-c2ccncc2)n1 19584642 FDIIRTCDSFMJLI-UHFFFAOYSA-N 348.410 1.859 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cc1 19796976 RNOQJLBRYXRZPS-GJZGRUSLSA-N 343.470 1.030 0 40 EDAB Cn1c(SCC(=O)NC2CCCCC2)nc2c(c1=O)SCC2 9560238 CQSACAXFSRAQAF-UHFFFAOYSA-N 339.486 1.970 0 40 EDAB O=C1[C@@H]2CN(c3ccnc(C4CC4)n3)C[C@H]2C(=O)N1Cc1ccccc1 1889124938 WWXFLVSHCPBLPD-HZPDHXFCSA-N 348.406 1.975 0 40 EDAB C[C@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)NC1CC1 24118463 IBHMCLOBYQSGAU-QMMMGPOBSA-N 332.278 1.847 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2Cc3ccccc3O2)cc1 26866750 IXQYSDRIOIFPRR-AWEZNQCLSA-N 346.408 1.328 0 40 EDAB Cc1nccn1CC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037913012 KMPZNBAMYJFMNM-SFHVURJKSA-N 347.390 1.763 0 40 EDAB COc1cccc(OC)c1CN1CC[C@H]2COCC(=O)N(C)[C@H]2C1 2037983608 ADRSCILMILNLBY-ZFWWWQNUSA-N 334.416 1.383 0 40 EDAB CC(C)N1C[C@]2(CCN(C(=O)Cc3cccc(F)c3)C2)COCC1=O 2037985636 QPLDGTIDCXMHBQ-LJQANCHMSA-N 348.418 1.854 0 40 EDAB Cc1ncnc(C(=O)N2CC[C@H]3CN(C(C)C)CCO[C@@H]3C2)c1C 1565546018 UFFDEFZBRLWCOV-JKSUJKDBSA-N 332.448 1.665 0 40 EDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)c4cc[nH]c4)C[C@H]32)cs1 1565546030 ULIJFVYZXGOLIG-CABCVRRESA-N 332.429 1.505 0 40 EDAB Cc1ccc(N2CCC[C@]3(CN(C(=O)C4(F)CC4)CCO3)C2)nn1 1565541907 PLUYZZIXPHHUJV-MRXNPFEDSA-N 334.395 1.485 0 40 EDAB O=C(C1CC(O)C1)N1CCC2(CCN(Cc3nccs3)C2)CC1 1565550006 MIRIXFGKOMWQFX-UHFFFAOYSA-N 335.473 1.729 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@]23C=C[C@H]1O3 3881881 SGHPRHVRHUWVMB-YYAJDYIMSA-N 338.363 1.577 0 40 EDAB CCn1c(=O)c2c(nc3n(-c4ccccc4O)c(C)cn23)n(C)c1=O 10233440 BWSANMCGAWTNLZ-UHFFFAOYSA-N 339.355 1.173 0 40 EDAB COc1ccc(N2C[C@@H](NC(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cc1 12180174 NOLYRFGQYFRLHJ-MJBXVCDLSA-N 347.415 1.619 0 40 EDAB Cn1nnc2c(N3CCN(C(=O)/C=C\c4ccccc4)CC3)ncnc21 13532608 TVUHDORDZSZPMN-FPLPWBNLSA-N 349.398 1.120 0 40 EDAB C[C@@H](O)c1ccc(CCNC(=O)C(=O)NCc2ccccc2)s1 225689667 CTQVHEHUKIJIHK-GFCCVEGCSA-N 332.425 1.777 0 40 EDAB O=C(NC[C@@H](c1ccco1)n1cccn1)C(=O)Nc1ccccc1F 575614481 UNGSSBFMVCXKDM-AWEZNQCLSA-N 342.330 1.960 0 40 EDAB O=C(NCc1nnc2c(O)nccn12)c1cccc(C(F)(F)F)c1 245170827 XIBMPTCQKAVZKM-UHFFFAOYSA-N 337.261 1.779 0 40 EDAB O=C(NS(=O)(=O)c1cnccn1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 152484492 QHCRDKMMDFENHM-NWDGAFQWSA-N 337.788 1.739 0 40 EDAB CCOc1ncccc1C(=O)NCCc1nnc2n1CCCCC2 40025190 NXNGCIPKSLFKHL-UHFFFAOYSA-N 329.404 1.771 0 40 EDAB CCOC(=O)[C@H]1CCCCN1Cc1cc(=O)n2cc(C)ccc2n1 31254531 ZFIBKKGULLFCFM-OAHLLOKOSA-N 329.400 1.921 0 40 EDAB O=C(CN(C[C@H]1CCOC1)C1CC1)c1c[nH]c(C(=O)N2CCCC2)c1 40539370 BUCVJKCRPNGPBI-CQSZACIVSA-N 345.443 1.934 0 40 EDAB NC(=O)CC1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1 40542512 INQPFQPJOSOHJM-UHFFFAOYSA-N 345.399 1.489 0 40 EDAB CN(C)c1cc(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)ccn1 40512546 GGKZCTMAGBMRRY-NSHDSACASA-N 344.337 1.175 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)CC2)on1 45897176 SPLQVHZZBOYMMI-HNNXBMFYSA-N 348.447 1.132 0 40 EDAB CNS(=O)(=O)c1cccc(CNc2cc(Cl)nc(N)n2)c1 29623843 DTRGPIKCCRJFHE-UHFFFAOYSA-N 327.797 1.232 0 40 EDAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1ccsc1 46214090 POZUKYTUGWACOW-CABCVRRESA-N 335.473 1.726 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCCC[C@H]1Cn1nc(C)cc1C 70011492 QWCMEYYKRMDSOS-DLBZAZTESA-N 332.448 1.892 0 40 EDAB COc1ccc(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)cc1F 101403993 DPJKSPMQGSWNLQ-CYBMUJFWSA-N 331.347 1.686 0 40 EDAB CCOc1ccccc1N1C(=O)C(=O)N(Cc2noc(C)n2)C1=O 60381790 QINQOTGSQWMFSW-UHFFFAOYSA-N 330.300 1.272 0 40 EDAB C[C@@H]1CN(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)O1 20939073 HIHHEVCPQVCIIZ-JFIYKMOQSA-N 331.460 1.486 0 40 EDAB CN1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2F)c2ccccc21 101664808 OWYZPZXORGIPQX-OAHLLOKOSA-N 341.342 1.276 0 40 EDAB O=C(COc1cc(Cl)ccc1Cl)N[C@H]1CCS(=O)(=O)C1 4524256 HPRDWYHNVLJAHF-VIFPVBQESA-N 338.212 1.676 0 40 EDAB O=C(NCc1ccccn1)[C@H](C(=O)c1ccccc1)n1ccccc1=O 6392757 IROZLBNZMMXUTO-SFHVURJKSA-N 347.374 1.984 0 40 EDAB c1cncc(CO[C@@H]2[C@H]3CC[C@H]2N(CCN2CCCC2)CCO3)c1 107775625 HSGDAAAGPQASPV-QRVBRYPASA-N 331.460 1.926 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCN(S(C)(=O)=O)CC1 32814480 OZRCYLWRKHNZHU-ZDUSSCGKSA-N 349.456 1.625 0 40 EDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cccnc1=O 32968748 OYOHEOZTXQPKLL-UHFFFAOYSA-N 329.356 1.063 0 40 EDAB CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 21776890 SVRAKOHDNPOFDM-CYBMUJFWSA-N 343.383 1.345 0 40 EDAB Cc1nc(COc2ccc(NS(=O)(=O)c3cn[nH]c3)cc2)no1 69774161 TTYFAKARWUQEKV-UHFFFAOYSA-N 335.345 1.481 0 40 EDAB COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(CC(C)(C)O)CC2)cc1 69772114 FHRLTNAWJGVJKK-IRXDYDNUSA-N 332.444 1.714 0 40 EDAB O=C(Nc1ccc(Cl)cn1)C1=CC=CN2CCS(=O)(=O)N=C12 53281011 WRNUFLUTTUAQBF-UHFFFAOYSA-N 338.776 1.171 0 40 EDAB Cc1cccc(N2N=C(C(=O)N(C)Cc3cnn(C)c3)CCC2=O)c1 53283360 WRWSHIWXKQDBBL-UHFFFAOYSA-N 339.399 1.870 0 40 EDAB CC(C)n1nccc1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 22288244 DFERUGAYOMGSOL-UHFFFAOYSA-N 327.344 1.106 0 40 EDAB Cn1nc(CC(=O)N2CCO[C@@H]3CCC[C@@H]32)c2ccccc2c1=O 53382147 FLUMHCQXIDOUNZ-JKSUJKDBSA-N 327.384 1.256 0 40 EDAB CCn1nc(C)c(CNc2c(NCCCN(C)C)c(=O)c2=O)c1C 101675090 NTMYRYHVJXFZQW-UHFFFAOYSA-N 333.436 1.092 0 40 EDAB C[C@@H](NC(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1)c1nncn1C 46962814 PYDSSECOLZUHSF-RDBSUJKOSA-N 337.424 1.246 0 40 EDAB O=C(Cn1cccnc1=O)NCCc1ccccc1Br 61557406 CFRHLIJOXDQCCX-UHFFFAOYSA-N 336.189 1.365 0 40 EDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1cc2ccccc2[nH]1 47635217 FSVPMVIGXYUFEE-MAUKXSAKSA-N 343.427 1.635 0 40 EDAB CCOC(=O)N1CCN(S(=O)(=O)Cc2ccccc2C)CC1 24613893 HZUVSPMFODLUFB-UHFFFAOYSA-N 326.418 1.599 0 40 EDAB CCN1C[C@H](CN(C)C(=O)[C@H](C)n2cncn2)Oc2ccccc21 106044746 RLIUPTCEGBNXKO-KBPBESRZSA-N 329.404 1.585 0 40 EDAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)NC(=O)[C@@H]23)cc1 102706280 IXXCHZGVZACCTI-KXUCPTDWSA-N 348.405 1.324 0 40 EDAB O=C(NCCCOCCc1ccccc1)[C@H]1CC(=O)N(C2CC2)C1 55783812 UISYZGOJMFTHPA-INIZCTEOSA-N 330.428 1.763 0 40 EDAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCNC(=O)[C@H]2C)C1 106910036 ZPNFBLQOGKIMBQ-IIAWOOMASA-N 330.432 1.352 0 40 EDAB COc1ccc(C(=O)N2CCN(Cc3nc(C)no3)CC2)cc1OC 25338847 OCKZXLBBXKHFKL-UHFFFAOYSA-N 346.387 1.353 0 40 EDAB CCn1cc(S(=O)(=O)NCc2nc(-c3cccs3)n[nH]2)cn1 79097845 JTBJPZLKAWANMU-UHFFFAOYSA-N 338.418 1.228 0 40 EDAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)NC1CC1 3248192 SHBGCXROHGRVNO-INIZCTEOSA-N 348.399 1.759 0 40 EDAB CC(C)CC[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCSC2)C1=O 27491416 KBFPCQCQGAKMOV-XHDPSFHLSA-N 327.450 1.355 0 40 EDAB CS(=O)(=O)c1ccc(-n2nnnc2COc2ccccc2F)cc1 58168651 OAKMEIYMOHTZAT-UHFFFAOYSA-N 348.359 1.784 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCN(Cc2cn3ccccc3n2)CC1 44894344 UDICVIVTGYUSNW-IBGZPJMESA-N 349.438 1.679 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(Cc2ccncc2)CC1 44973754 RSLGHTSNSQGSPF-AWEZNQCLSA-N 342.399 1.137 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@@H](C)[C@H]2CCCO2)nn1-c1ccccc1 27875687 DGGCWWIYEWIZCG-XJKSGUPXSA-N 327.384 1.838 0 40 EDAB COc1ccc(CNC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1OC 12607997 HTTUHQZGEXJQSW-UHFFFAOYSA-N 345.399 1.653 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Oc1ccc2c(c1)OCO2 3306325 IEDWHCYSKNISAJ-UHFFFAOYSA-N 340.291 1.024 0 40 EDAB COCCOc1cccc(NC(=O)N[C@@H](C)CN2CCCC2=O)c1 48260807 HRSMTYHJEPQPES-ZDUSSCGKSA-N 335.404 1.844 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N[C@@H]1CCCc2ccccc21 3579168 OLXIJKVPWNPBOQ-MRXNPFEDSA-N 334.379 1.985 0 40 EDAB aggregator O=C(N[C@H]1CCOC[C@]12CCN(c1ncc(F)cn1)C2)N1CCCC1 306134508 NPKJPYAVBRKNHM-WMLDXEAASA-N 349.410 1.407 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cnn(C)c2C)c1C 13297008 PTWIMFFBAUYBMY-UHFFFAOYSA-N 347.371 1.890 0 40 EDAB Cc1ccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c(C)c1 69588582 BIVJGDPNUGSREW-KRWDZBQOSA-N 331.460 1.976 0 40 EDAB CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](C)NC(=O)OC(C)(C)C 69529777 YZRWIHXJVSVLDA-GHMZBOCLSA-N 345.465 1.279 0 40 EDAB O=C(Cn1nc2c(N3CCCC3)nccn2c1=O)Nc1ccccc1 49399711 DZMGKOLBWYQXRR-UHFFFAOYSA-N 338.371 1.130 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2C(=O)CCc2c(C)nc[nH]c2=O)c1 69666840 NXLKLUVLRAVHEA-OAHLLOKOSA-N 343.431 1.597 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cc(Cl)c3c(c1)OCO3)C2 69652060 FFLARPRMJCSVEQ-UHFFFAOYSA-N 334.763 1.879 0 40 EDAB COC(=O)N1CCN(C(=O)c2ccc(Br)cc2O)CC1 49448659 YSOQPYVAWJAZSY-UHFFFAOYSA-N 343.177 1.679 0 40 EDAB CCOC(=O)c1cnc2nc(C)ccc2c1N1CCN(C(C)=O)CC1 69631749 BHFMUXKPDXVRSP-UHFFFAOYSA-N 342.399 1.783 0 40 EDAB O=C(/C=C/c1ccccc1)Nc1cnn(CCN2CCOCC2)c1 69654335 KIOKJMZSBKIGEO-VOTSOKGWSA-N 326.400 1.867 0 40 EDAB O=C(OCC(=O)N1CCCCCCC1)c1ccc(-n2cnnn2)cc1 8561471 SFODZEXWEVREKR-UHFFFAOYSA-N 343.387 1.612 0 40 EDAB O=C(NCC1(O)CCOCC1)Nc1nncc(-c2ccccc2)n1 69871511 NDUPAEVXECTQOE-UHFFFAOYSA-N 329.360 1.202 0 40 EDAB CCC(CC)(CC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C(=O)O 92196638 KULURKVHCVRMRB-UHFFFAOYSA-N 346.387 1.791 0 40 EDAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCCN(CC(=O)N(C)C)CC1 89913608 QOAOTOWWWQNADE-ZDUSSCGKSA-N 337.468 1.524 0 40 EDAB O=C1CCC(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)=NN1 4349229 DIRHBUUAJGBSOI-UHFFFAOYSA-N 327.699 1.227 0 40 EDAB COc1ccc(COCC(=O)N2CCN(CC(C)(C)O)CC2)cc1 69926571 OMLKRMKLAQNFKF-UHFFFAOYSA-N 336.432 1.127 0 40 EDAB COC(=O)C(C)(C)NC(=O)c1ccn(-c2cc(C)ccc2OC)n1 65406123 JMNHAXRBGWGRKW-UHFFFAOYSA-N 331.372 1.871 0 40 EDAB CC(C)c1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1 4413411 ACTLNZSVPLNQEL-UHFFFAOYSA-N 325.423 1.347 0 40 EDAB O=C(NC1CCN(c2ncnc3[nH]cnc23)CC1)c1ccc(Cl)o1 65519228 FZGHZIXPAWNGRZ-UHFFFAOYSA-N 346.778 1.998 0 40 EDAB CN1C[C@H](C(=O)Nc2cccc(I)c2)CC1=O 65542569 QRIXKQOPUGGELF-MRVPVSSYSA-N 344.152 1.708 0 40 EDAB CC(=O)[C@@H]1CC(C(=O)N[C@@H](C)Cn2ccnc2)=NN1c1ccccc1 65587724 AKXPKACUGQLMPH-GUYCJALGSA-N 339.399 1.612 0 40 EDAB CCCCn1nnnc1COC(=O)c1nn(C)c(=O)c2ccccc12 5472057 ZJHWYGSNIDKAOV-UHFFFAOYSA-N 342.359 1.077 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)ccc12 6659337 KLLLNKREHVKRFG-UHFFFAOYSA-N 341.367 1.883 0 40 EDAB biogenic Cc1ccc(F)cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 4846582 ZDDGXEWCUDJGCG-UHFFFAOYSA-N 348.355 1.917 0 40 EDAB CN1CC2(CCN(C(=O)c3ccco3)CC2)c2nn(C)cc2C1=O 306130228 IZOUAOZAOXXGPC-UHFFFAOYSA-N 328.372 1.273 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N[C@@H]3CCCc4ccccc43)cnc21 8849658 GMZQCSNRKPMPIB-OAHLLOKOSA-N 337.383 1.324 0 40 EDAB CCn1nc(C)c(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1C 67466967 FHGUFTXDJXMRNX-DLBZAZTESA-N 328.416 1.977 0 40 EDAB CN(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1Br 7702714 WFWVVAVFMIYYPZ-UHFFFAOYSA-N 347.234 1.348 0 40 EDAB CCS(=O)(=O)NCCN1CCCN(Cc2ccc(C)cc2)CC1 68803625 KPUSURRLUITCCV-UHFFFAOYSA-N 339.505 1.442 0 40 EDAB CCc1ccccc1N1C(=O)C[C@@H](N2CCC(C(N)=O)CC2)C1=O 9483628 NKQYJKROSKLLMJ-OAHLLOKOSA-N 329.400 1.078 0 40 EDAB O=C(NC(=S)N1CCN(Cc2ccccc2)CC1)c1cccnc1 19855698 ZDDZQOIQZVWQJT-UHFFFAOYSA-N 340.452 1.914 0 40 EDAB CC(C)[C@H](NCC(F)(F)F)C(=O)OCC(=O)N1CCC[C@H](C)C1 71922235 KCXDIYCBUFIFAW-AAEUAGOBSA-N 338.370 1.965 0 40 EDAB CC(C)(C)NC(=O)c1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1 84199500 XMEHFKAFHBBKII-UHFFFAOYSA-N 346.383 1.521 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)CS(=O)(=O)C3CCCC3)C2)no1 72231804 JTFFTAOHLUQILZ-GFCCVEGCSA-N 341.433 1.441 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)no1 72232012 AVJHRFFPYSVHIS-DOMZBBRYSA-N 329.356 1.924 0 40 EDAB COc1ccc(NC(=O)c2ccc(SC)o2)cc1S(N)(=O)=O 72281027 FFFZSMYOUTVKHK-UHFFFAOYSA-N 342.398 1.910 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)c2ccc(C)n(C)c2=O)c(C)nn1C 72234392 DPPJTMWUCAWKRV-AWEZNQCLSA-N 344.415 1.722 0 40 EDAB COc1ccc2[nH]cc(CCNc3nc4c(cnn4C)c(=O)[nH]3)c2c1 72281933 OTAZSVNLYMMVRQ-UHFFFAOYSA-N 338.371 1.801 0 40 EDAB O=C(c1cc(Br)c[nH]1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72268969 XSTJBNNOXIWLRI-STQMWFEESA-N 342.237 1.448 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(CCc3ccc4c(c3)CCO4)C2=O)cn1 97103795 XAGCVPXQSSBBTP-MRXNPFEDSA-N 339.395 1.515 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N1CCO[C@H](CCc2ccccc2)C1 97109975 MDOSAUHWJHBRRT-DOTOQJQBSA-N 343.431 1.710 0 40 EDAB COCCNC(=O)CNC(=O)c1cc(C)cc(C)c1Br 97141830 ZRDQDOXFEJQXPW-UHFFFAOYSA-N 343.221 1.558 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CC[C@H](N(C)Cc3noc(C)n3)C2)on1 76047260 XYCRKXMOONKIOM-YPMHNXCESA-N 348.407 1.208 0 40 EDAB CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cn2cncn2)cc1 95395744 VTILUYDFQZMYRB-AWEZNQCLSA-N 348.428 1.377 0 40 EDAB CC[C@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@H]1N1CCOCC1 84735965 KMQCECISOPQREI-JKSUJKDBSA-N 334.464 1.703 0 40 EDAB CC(=O)N1CC[C@@H](NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 95450572 BKFUTGAIWJTOIY-CHWSQXEVSA-N 331.199 1.764 0 40 EDAB CS(=O)(=O)c1ccsc1C(=O)NCc1cccc(C(=O)O)c1 95425090 WSEMREAJUJBELC-UHFFFAOYSA-N 339.394 1.780 0 40 EDAB COC(=O)c1cc(CNC(=O)c2n[nH]c(=O)c3ccccc23)oc1C 73557625 QGYUNQJOXPRTNN-UHFFFAOYSA-N 341.323 1.541 0 40 EDAB Nc1nccnc1C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 88341436 WNJSLKCWRJKSHY-UHFFFAOYSA-N 339.330 1.660 0 40 EDAB CN1C[C@H](NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)CCC1=O 73860620 JZALUJIYPWMPKW-IUODEOHRSA-N 343.349 1.617 0 40 EDAB Cn1cc(C(=O)CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1 78878934 JZIVHLULSCULJS-UHFFFAOYSA-N 346.818 1.714 0 40 EDAB C[C@H](C(=O)Nc1cccc(F)c1)[S@](=O)CCCC(=O)N(C)C 95965821 OMMZEFPQVWIUMP-XFNZEKPQSA-N 328.409 1.770 0 40 EDAB Nc1nc(CN2CCN(C3CCOCC3)CC2)nc2ccccc12 95963281 OFRISKSLQBBHGX-UHFFFAOYSA-N 327.432 1.509 0 40 EDAB CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cnc2n1CCCC2 89364889 BGXXQQPJAOXBGX-UHFFFAOYSA-N 338.371 1.937 0 40 EDAB COCCNC(=O)CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 89414623 WWUDCOOYYDXGKY-SJORKVTESA-N 326.396 1.822 0 40 EDAB C[C@@H](NC[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cnccn1 89550544 LJCHATZFGKSYDB-WBVHZDCISA-N 340.427 1.770 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c(=O)[nH]1 75118457 CKGPANZYCNWWPP-UHFFFAOYSA-N 325.368 1.740 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c(=O)[nH]1 75123472 NSEKDNMGUYOCGV-UHFFFAOYSA-N 326.331 1.938 0 40 EDAB CNC(=O)[C@H](NC(=O)Nc1nncs1)c1ccc(F)c(F)c1 75122337 RRMDXASDURGLQF-SECBINFHSA-N 327.316 1.425 0 40 EDAB CNC(=O)Cc1noc([C@@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)n1 89647409 FQGLHQUNHVWWJF-CYBMUJFWSA-N 342.399 1.886 0 40 EDAB Cc1cc(C)cc(OC[C@H](O)CN2CCC(N3CCNC3=O)CC2)c1 69487757 FUXYOIUEEKCDBS-QGZVFWFLSA-N 347.459 1.533 0 40 EDAB CCn1cc(Cl)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 28222850 AZSUTYVGZFHYBZ-UHFFFAOYSA-N 342.808 1.134 0 40 EDAB COc1cc(C)c(S(=O)(=O)[C@H](C)C(=O)N2CCCC2)cc1OC 69885447 VGTBCSCNLLTMQL-GFCCVEGCSA-N 341.429 1.797 0 40 EDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc2c(c1)CCC2 548531303 ZFGPRXJOQDOMRL-NHYWBVRUSA-N 339.413 1.333 0 40 EDAB O=c1c2nnn(-c3ccccc3)c2ncn1Cc1nnc(C2CC2)o1 78967512 BSAREMSEQLPWGM-UHFFFAOYSA-N 335.327 1.286 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@@]2(C)Oc3ccccc3N=C2O)CC1 36354566 JZPMRMFXVBIDGW-KRWDZBQOSA-N 347.371 1.726 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@@H]2COc3ccccc3O2)C1 79440257 OKNUGRTXJGTXBD-DOMZBBRYSA-N 348.399 1.952 0 40 EDAB CCN(CC)CCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 72238024 ZDZZYGRIFURMNB-QZTJIDSGSA-N 347.459 1.433 0 40 EDAB CCOC(=O)N1CCN([C@H](C)C(=O)NCc2ccccc2OC)CC1 38695391 RQTLBOHGUOGOFH-CQSZACIVSA-N 349.431 1.474 0 40 EDAB CCN(CCNC(=O)c1cccnc1C)C(=O)c1cccnc1C 189635059 CAMHQVFJGCMNSE-UHFFFAOYSA-N 326.400 1.986 0 40 EDAB Cc1ccc(-c2snnc2C(=O)NCCN2CCOCC2)cc1 72240036 WHZCSWOFSXETOW-UHFFFAOYSA-N 332.429 1.576 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 78610917 DBGPPAUIXXXVDW-BBRMVZONSA-N 337.370 1.671 0 40 EDAB COCCCNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 33746750 DOJXXJJQHTXKPI-CQSZACIVSA-N 342.461 1.611 0 40 EDAB CNCC(=O)N1CCC[C@H]1c1cc(Nc2cnccn2)nc(C)n1 72360922 VFMQLYHFWZEAIK-ZDUSSCGKSA-N 327.392 1.202 0 40 EDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc(F)c1 71980178 ZCOWHCDQTQUBSZ-CQSZACIVSA-N 336.363 1.563 0 40 EDAB Cc1n[nH]cc1CNCCC(=O)N1CCN(c2ccccc2)CC1 79330353 DXXVQIBXEZGORY-UHFFFAOYSA-N 327.432 1.547 0 40 EDAB COc1cc(C)n(CCNC(=O)c2ccc3c(c2)OCO3)c(=O)c1 225614453 XEUGKIFFEQYXSL-UHFFFAOYSA-N 330.340 1.324 0 40 EDAB O=C(NCCn1c(=O)[nH]c2ccsc2c1=O)c1cc(C2CC2)on1 225805789 BAEWCGBPACZSTA-UHFFFAOYSA-N 346.368 1.047 0 40 EDAB CC(=O)Nc1cccc(-n2nnnc2SCCOCC(F)F)c1 225440140 ZZPZZTXDGAOCHS-UHFFFAOYSA-N 343.359 1.995 0 40 EDAB COc1cccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2COCCN2C)c1 328937398 CWZCUBCVWDXPEG-MSOLQXFVSA-N 348.443 1.533 0 40 EDAB Cc1cc(=O)n(CCNC(=O)c2cccc(Br)c2)cn1 85470867 AMGRNAIUQMMOET-UHFFFAOYSA-N 336.189 1.744 0 40 EDAB CSCC[C@](C)(O)CNC(=O)C(=O)NCc1ccccc1Cl 75157640 YDMWNIQBYVJXPB-HNNXBMFYSA-N 344.864 1.577 0 40 EDAB CCOC(=O)c1[nH]c(C)c(C(=O)CSc2n[nH]c(CO)n2)c1C 572800468 IRZRZXAEPUACNJ-UHFFFAOYSA-N 338.389 1.394 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 46089290 MGZMHJMWLPMRSS-UHFFFAOYSA-N 342.417 1.501 0 40 EDAB c1cnc(N2CC[C@@]3(COCCN(CC4CCOCC4)C3)C2)nc1 96202345 AVOKONHPGOJLSB-SFHVURJKSA-N 332.448 1.432 0 40 EDAB C[C@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1ccncc1)CC2 96201580 UZVJHWANTZBONR-CQSZACIVSA-N 343.427 1.714 0 40 EDAB O=C1COC2(CCN(c3ncccn3)CC2)CN1Cc1ccccn1 96159104 OWNSDSQYNIYGHE-UHFFFAOYSA-N 339.399 1.270 0 40 EDAB Cc1noc(C)c1C(=O)N1Cc2nnn(C)c2[C@H](COCC2CC2)C1 96198595 KYHSZUKXZWIRHW-ZDUSSCGKSA-N 345.403 1.586 0 40 EDAB CCn1nc(C)cc1C(=O)N1C[C@@H]2C[C@@H](c3n[nH]c(C)n3)O[C@@H]2C1 96045890 XTJOFGJOTPOMGP-FPMFFAJLSA-N 330.392 1.240 0 40 EDAB CC(C)CN1CCS(=O)(=O)[C@@H]2CCN(C(=O)C(C)C)CC[C@@H]21 96251565 DDXXTCNOQZQFFQ-LSDHHAIUSA-N 330.494 1.388 0 40 EDAB CS(=O)(=O)c1nccn1C[C@H](O)Cc1ccccc1C(F)(F)F 95438712 PMMLEKJHOINFCZ-LLVKDONJSA-N 348.346 1.909 0 40 EDAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccc3c(c2)OCO3)cn1 96184597 BUYIAZAZISWPHK-SJORKVTESA-N 340.427 1.998 0 40 EDAB Cc1c[nH]c(=O)n1-c1cccc(NC(=O)CN(C)[C@@H]2CCSC2)c1 95449165 HBNSQQPWIFGLOU-OAHLLOKOSA-N 346.456 1.850 0 40 EDAB CCN1CCN(C(=O)c2cc(C(C)C)nc(N3CCCC3)n2)CC1 96192007 HEJAOEMJHVQWDP-UHFFFAOYSA-N 331.464 1.978 0 40 EDAB CN1Cc2cc3c(c(I)c2[C@H](O)C1)OCO3 96171890 JGEXKQDYMLZXAE-SSDOTTSWSA-N 333.125 1.499 0 40 EDAB CCn1ccc(C(=O)NCCN2Cc3ccccc3OCC2=O)n1 238825090 DOBQYSUAZABNTO-UHFFFAOYSA-N 328.372 1.054 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@H]3OC[C@H](c4nnc(C)o4)[C@H]3C2)cc1 96216396 WUFKLBWFOPMZJU-QLFBSQMISA-N 349.412 1.490 0 40 EDAB CN(Cc1nc(-c2ccc(F)cc2)no1)C[C@@H]1CCS(=O)(=O)C1 96419669 QNPGMNBCKIGVSP-NSHDSACASA-N 339.392 1.742 0 40 EDAB Cc1oncc1C(=O)N1CCc2cnn(C)c2[C@H]1COCC1CC1 248055760 SMDUFUJQHLLDHC-OAHLLOKOSA-N 330.388 1.883 0 40 EDAB Cn1nccc1NC(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 583622183 VWDHUTQEMVDCEA-NWDGAFQWSA-N 347.423 1.544 0 40 EDAB NC[C@]1(N)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 252515631 MHPHAHDETPUDMN-ZACQAIPSSA-N 346.408 1.011 0 40 EDAB Cc1nn(C)cc1C(=O)N1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 257259230 KXKHTOXNGCZQLN-SJLPKXTDSA-N 347.390 1.912 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1c(C)noc1C 257290291 QCHSPFAHUSZOGD-AWEZNQCLSA-N 330.388 1.864 0 40 EDAB Cc1noc(C)c1CCC(=O)NC[C@]1(O)CCN(c2ccccn2)C1 257256118 KKEBBAIKARTKGQ-GOSISDBHSA-N 344.415 1.377 0 40 EDAB Cn1ncc2ccc(CNC(=O)c3cccc4c3OCC(=O)N4)cc21 585085283 IHDCQZGVBBLXRF-UHFFFAOYSA-N 336.351 1.834 0 40 EDAB CS(C)(=O)=NCCNS(=O)(=O)c1csc2ccccc12 585114983 IAHCVWGCRCNSDN-UHFFFAOYSA-N 332.472 1.907 0 40 EDAB CO[C@@H](C)CS(=O)(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1 585137998 HACODDOFHLGRGU-LBPRGKRZSA-N 344.481 1.547 0 40 EDAB CS(=O)(=O)CCC(=O)Nc1cc(Br)c2cc[nH]c2n1 585125985 KIAAPWNGGZFFGT-UHFFFAOYSA-N 346.206 1.699 0 40 EDAB COCc1cc(NC(=O)N2CCc3c(cccc3C(N)=O)C2)ncn1 585101461 TZBAHIOHWPRTJY-UHFFFAOYSA-N 341.371 1.312 0 40 EDAB CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2c2ccnc(C)n2)n1 257313151 URFFEDMLJVMKGG-QGZVFWFLSA-N 326.404 1.759 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1 257322615 WGRWEGDFYIQVDD-OAHLLOKOSA-N 346.431 1.426 0 40 EDAB CC(C)CC(=O)NCc1c2c(c(O)c3c1OCO3)C(=O)N(C)CC2 604405510 OZJWMVLIOHGDDV-UHFFFAOYSA-N 334.372 1.411 0 40 EDAB biogenic O=C(O)c1ccn2c(NC(=O)c3cnn(CC4CC4)c3)cnc2c1 1615056427 XFLOZOARYREXJW-UHFFFAOYSA-N 325.328 1.891 0 40 EDAB CC(=O)c1sc(NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)nc1C 575420488 CFADEQXDYZPWIP-LBPRGKRZSA-N 331.419 1.353 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1 575403628 IETAAWJAZVQARE-HOTGVXAUSA-N 332.400 1.395 0 40 EDAB COc1ncccc1C(=O)N[C@@H]1CCc2nc(N(C)C)ncc2C1 585150205 FMRKTXFNDVLVRI-GFCCVEGCSA-N 327.388 1.234 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2cc(C)ccn2)Cc2cccn2C1 585099137 OYGYGPOYUFMNMR-AWEZNQCLSA-N 326.400 1.600 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O 43509423 ZNHATOXKRSMDBS-AWEZNQCLSA-N 328.409 1.598 0 40 EDAB COCCN(CCNC(=O)c1csc(-c2cnn(C)c2)n1)C1CC1 65495810 RUNHSVRRGORISA-UHFFFAOYSA-N 349.460 1.384 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 65568520 JQLSYFVNHAUOLB-GOSISDBHSA-N 346.475 1.006 0 40 EDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC[C@H]1COCCO1 65657212 OQNHKNCVNVEGAG-KGYLQXTDSA-N 336.363 1.565 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCC2)c(F)c1 71882635 YBYXSZKJEWSYJT-GFCCVEGCSA-N 340.420 1.590 0 40 EDAB CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H]1c1ccc(F)cc1 79018064 ICWABHUZCGPURE-AWEZNQCLSA-N 328.409 1.771 0 40 EDAB C[C@H]1COCCN1S(=O)(=O)N(Cc1ccccc1)CC(F)F 80274712 RVRMYLDWYVVOFK-LBPRGKRZSA-N 334.388 1.719 0 40 EDAB C[C@H](CCO)CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 84637320 BGTYMIGADQPCKI-GFCCVEGCSA-N 335.379 1.439 0 40 EDAB CNS(=O)(=O)[C@H]1CCN(c2cc(C)c(Br)cn2)C1 97229955 ADHUWCCTLHCKGJ-VIFPVBQESA-N 334.239 1.280 0 40 EDAB CC[C@H]1CN(c2nnnn2C[C@H](C)Cn2cccn2)C[C@@H](CC)O1 1616031842 CUZSYUFUYWDXPP-KFWWJZLASA-N 333.440 1.600 0 40 EDAB COc1ccc(C)cc1CCn1nnnc1N(C)C[C@@H]1COCCO1 1616033528 QABRRHMQZLVWPT-OAHLLOKOSA-N 347.419 1.084 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)[C@@H](O)c1cnn(-c2ccccc2)n1 5604640 YDFURZXAQLOSCK-KRWDZBQOSA-N 346.350 1.764 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(-c2ccco2)cc(N)c1=O 12146638 ZAAALKNGMWSGEL-DGCLKSJQSA-N 330.388 1.780 0 40 EDAB CN1C[C@@H](C(=O)N2CCC[C@H](n3nnc4cc(F)ccc43)C2)CC1=O 12184853 YIDWMCCDTLDEGD-AAEUAGOBSA-N 345.378 1.212 0 40 EDAB CCOc1ccc(NC(=O)C[C@@H]2SC[C@H](C(=O)O)NC2=O)cc1 13636840 NDVYUEPRPPDNHX-NEPJUHHUSA-N 338.385 1.099 0 40 EDAB CN(C)C(=O)N1CCN(C(=O)NCc2ccc(Cl)cc2F)CC1 572671313 JGMRCBQXDCLFOR-UHFFFAOYSA-N 342.802 1.988 0 40 EDAB Cc1cc(CN2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)on1 1888849827 WVPXJQFTJQTNDJ-HOTGVXAUSA-N 325.368 1.600 0 40 EDAB Cc1cc(C)nc(N2CCN(c3nc(O)c(F)c(C4CC4)n3)CC2)n1 1888854306 XAUSGNVSQLZDHK-UHFFFAOYSA-N 344.394 1.932 0 40 EDAB Cn1ccc(C(=O)N2C[C@H]3CCC[C@]3(COc3ncc(F)cn3)C2)n1 1888869511 KRVFBJLXPHMOMQ-SJKOYZFVSA-N 345.378 1.671 0 40 EDAB Fc1c(C2CC2)ncnc1N1CCN(c2ncnc3[nH]cnc23)CC1 1888890299 QNBPGAGZCDYGKR-UHFFFAOYSA-N 340.366 1.486 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)NCCC1=CCCCC1 22561983 GYJPLFNRZCSBND-MRXNPFEDSA-N 337.445 1.421 0 40 EDAB CC(C)N1CCN(C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 27344578 VUISKWAWPKWRLF-UHFFFAOYSA-N 347.463 1.154 0 40 EDAB COc1ccc(F)cc1C(=O)NCc1cccnc1N1CCOCC1 30310455 QYUMHDWMZYXVEW-UHFFFAOYSA-N 345.374 1.996 0 40 EDAB O=C(N[C@H]1C[C@H](Nc2ncccn2)C1)c1ccc2c(O)ncnc2c1 1059232900 MCNCNGLMDLJJFG-HAQNSBGRSA-N 336.355 1.498 0 40 EDAB COC1(CNC(=O)C(=O)N[C@H](C)c2ccccc2)CCSCC1 244975076 IAMZKPWTTRESJX-CYBMUJFWSA-N 336.457 1.892 0 40 EDAB CN1CCCC[C@@]2(CN(C(=O)Cc3ccccc3F)CCO2)C1=O 2037985845 YILUBMUHBMIIQI-GOSISDBHSA-N 334.391 1.608 0 40 EDAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)C3CC(F)(F)C3)CC2)C1 1565544191 FUBJRUDCTAXGHD-ZDUSSCGKSA-N 344.402 1.954 0 40 EDAB Cn1nnc2c(SCC(=O)NCc3ccccc3Cl)ncnc21 13531868 PNACKCXXCGMSBE-UHFFFAOYSA-N 348.819 1.820 0 40 EDAB Cc1nc([C@H]2C[C@H]3CCN(C(=O)Cc4ccc(F)cn4)C[C@H]3O2)n[nH]1 2055771519 DYGCEUUJDIKPIO-KCPJHIHWSA-N 345.378 1.568 0 40 EDAB CC(C)c1noc(CN2CCN(c3nccc(N(C)C)n3)CC2)n1 2086884720 NVSZAJWKAJUYBI-UHFFFAOYSA-N 331.424 1.371 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCn1ccnc1-c1ccccn1 217864013 BYPWUHHQZMWDNE-UHFFFAOYSA-N 347.400 1.528 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1nc(-c2ccccc2)cs1 38671236 FYYSTNDETPJRKC-UHFFFAOYSA-N 342.380 1.676 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CC[C@H](Oc2cnccn2)C1 225796744 AFCRANNXWZCYBP-ZDUSSCGKSA-N 342.355 1.568 0 40 EDAB CCCN1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 40159482 ZYLLVIJCXCGOBP-SFHVURJKSA-N 343.471 1.632 0 40 EDAB CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c1ccc2c(c1)OCO2 37887 FMAASBWPVASVRW-OAHLLOKOSA-N 346.339 1.865 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)Nc1ccc(OC)cc1Cl 51645012 KJAWWCUYUMHUKY-UHFFFAOYSA-N 349.840 1.800 0 40 EDAB O=C(CCc1ccsc1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 69738226 GDJBEPYNJKSGMI-KBPBESRZSA-N 342.486 1.058 0 40 EDAB CCOc1ccc([C@H]2CCCN2C(=O)CN(C)S(C)(=O)=O)cc1 46167773 FYWCRECWGYEGJU-OAHLLOKOSA-N 340.445 1.640 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 70007277 GSGPMUDRQALLHT-CYBMUJFWSA-N 341.477 1.015 0 40 EDAB COc1ccc(-c2nc(CN3CCN(C[C@@H](C)O)CC3)no2)cc1 69740026 WJBRFXUPDUPTQQ-CYBMUJFWSA-N 332.404 1.244 0 40 EDAB O=C(Nc1ncnc2c1ncn2[C@H]1CC[C@H](CO)O1)c1ccccc1 1612177 ZNZDAJZEPSQWJN-CHWSQXEVSA-N 339.355 1.749 0 40 EDAB O=C1NC(=O)[C@H](CCC(=O)OCc2csc(Br)c2)N1 46238518 KQNUJKAHFKZAHY-ZETCQYMHSA-N 347.190 1.542 0 40 EDAB O=C(C[C@@H](NCCCO)C(=O)O)Nc1cc(Cl)ccc1Cl 6480330 YVWHCGLBESXCNU-LLVKDONJSA-N 335.187 1.747 0 40 EDAB CC(C)NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21 6678781 JMNZAZTXMLUZHQ-UHFFFAOYSA-N 347.396 1.391 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)nc1 32841581 ZCQTUZFMBQYUEQ-SJCJKPOMSA-N 330.388 1.829 0 40 EDAB O=C(Cc1cn2ccccc2n1)N1CCC[C@H](CN2CCOCC2)C1 69742587 BALXHVBZUMOCSC-MRXNPFEDSA-N 342.443 1.448 0 40 EDAB CC1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 479446 JWTCGPSFERALDM-UHFFFAOYSA-N 330.837 1.877 0 40 EDAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCC[C@@H]1CCCO1 32977072 MYAOARNGFJRJEE-LBPRGKRZSA-N 341.367 1.828 0 40 EDAB CC(C)Cc1noc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)n1 32905350 DLYVLFVRYSRINT-ZDUSSCGKSA-N 328.372 1.931 0 40 EDAB CNS(=O)(=O)c1ccc2nc(NC(=O)c3ccccn3)sc2c1 9009989 RJNBZTSJJGJCHJ-UHFFFAOYSA-N 348.409 1.852 0 40 EDAB O=C1NC[C@H](C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)N1 89826397 JNZQWOAJYZDEBE-CABCVRRESA-N 343.358 1.743 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C)n2)cc1 9834525 OAARYNPMWHUDJG-GFCCVEGCSA-N 349.412 1.704 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(c2nnnn2-c2ccccc2)C1 52359908 WPWHYDXHWMWNMY-AWEZNQCLSA-N 326.404 1.405 0 40 EDAB Cc1ccc(Cn2cnc(NS(=O)(=O)c3cn(C)nc3C)n2)cc1 2804236 KGFISHHXLPJXMP-UHFFFAOYSA-N 346.416 1.478 0 40 EDAB CC(C)N1C(=O)N[C@@](C)([C@H]2CCCN(Cc3nccn3C)C2)C1=O 89869820 HDGPCXQWAYOVGO-GUYCJALGSA-N 333.436 1.351 0 40 EDAB COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCSCC2)c1C 53819058 NSDKWPDYUVFEIM-UHFFFAOYSA-N 326.418 1.624 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2cn3ccccc3n2)CC1 22926333 QLSNKASRSUUNGW-INIZCTEOSA-N 341.459 1.463 0 40 EDAB COc1ccnc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 54389366 SHFWKOVYEXECLC-UHFFFAOYSA-N 340.309 1.621 0 40 EDAB CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 54304911 OPHVFMPBJHLEDJ-UHFFFAOYSA-N 345.380 1.792 0 40 EDAB O=S(=O)(CCN1CCN(c2ccc(O)cc2)CC1)c1ccccc1 23750657 OIMZORFAIPOSBQ-UHFFFAOYSA-N 346.452 1.988 0 40 EDAB Cc1ccccc1Cn1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)n1 102014565 ONMJLDCACDZQAE-NXNVCVFFSA-N 337.379 1.907 0 40 EDAB CC(=O)Nc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 28235093 MOWRQCXHPVVFEW-UHFFFAOYSA-N 336.355 1.802 0 40 EDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccccc1F 24990318 WWDQHLAIBRVVBO-BBRMVZONSA-N 337.395 1.685 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)N1CCC[C@@H]2CCCC[C@@H]21 106667250 GWGQMLHFNOSIOW-BBWFWOEESA-N 331.464 1.924 0 40 EDAB COc1ccc(S(=O)(=O)NCc2ccccc2)cc1-n1cnnn1 1423896 LDVBNWYIXNICIU-UHFFFAOYSA-N 345.384 1.149 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1cnn(-c2ccccc2)n1 56017647 DMBBKXPNDBASQS-KYXFNPKGSA-N 339.399 1.393 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC1CCN(c2ncccn2)CC1 56059055 HHBIDVBNLSOQLS-UHFFFAOYSA-N 337.405 1.029 0 40 EDAB CC(C)CN(CC(N)=O)CC(=O)N[C@H](C)c1cccc(Cl)c1 26126250 NNLDVKXNQYERRA-GFCCVEGCSA-N 325.840 1.961 0 40 EDAB CCN(CC)CCNC(=O)C1CCN(C(=O)c2ccncc2)CC1 44285016 IJROZPAAEXLQNX-UHFFFAOYSA-N 332.448 1.392 0 40 EDAB COc1cc(N[C@H](C)C(=O)N2CCOCC2)ccc1N1CCCC1=O 10184870 DSICSCWBEVQJDO-CYBMUJFWSA-N 347.415 1.481 0 40 EDAB Cc1nn(Cn2ccc(C(=O)NC[C@@H]3CCCO3)n2)c(C)c1Cl 28576099 OITYITBWTBPYTF-LBPRGKRZSA-N 337.811 1.764 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 58224448 LAGWWSAQSWPVRH-CYBMUJFWSA-N 333.432 1.315 0 40 EDAB CN(Cc1ccccc1N1CCOCC1)C[C@H](O)Cn1cccn1 44975027 GGJZSTRVQMCMDA-KRWDZBQOSA-N 330.432 1.213 0 40 EDAB CCc1ccc(N2C[C@H](C(=O)NCc3nncn3CC)CC2=O)cc1 44942291 YXLVBCBGINJPBL-CQSZACIVSA-N 341.415 1.530 0 40 EDAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NC[C@@H]1CCS(=O)(=O)C1 44907954 ZXJCHLAIMFHLEH-NSHDSACASA-N 347.868 1.665 0 40 EDAB O=C(NC1=NCC(O)=N1)c1cnc2c(cnn2Cc2ccccc2)c1 58316994 MFDJRHJVBMRCED-UHFFFAOYSA-N 334.339 1.536 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(N2CCOCC2)cc1 58428781 UKVRPECLPXVQAW-QZTJIDSGSA-N 345.443 1.116 0 40 EDAB CN1CCC(NC(=O)NCc2ccccc2N2CCOCC2)CC1 62474632 METAWUGVNSKDTJ-UHFFFAOYSA-N 332.448 1.417 0 40 EDAB CC(C)C[C@H](CNS(=O)(=O)c1cccc(F)c1)N1CCOCC1 12802741 NBLLQVFYYXJTDI-OAHLLOKOSA-N 344.452 1.851 0 40 EDAB COCCn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1 3494166 AEXHNYCIHMPDJT-UHFFFAOYSA-N 326.809 1.822 0 40 EDAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NCCc1ccccn1 69436198 AMZWKQJFXWKASF-GFCCVEGCSA-N 337.383 1.435 0 40 EDAB Cc1n[nH]c(C(=O)N2CCC(CC(N)=O)CC2)c1Br 48918666 CAHKMAPFADBBHM-UHFFFAOYSA-N 329.198 1.208 0 40 EDAB Cc1ccc([C@@H]2CSCCN2Cc2cn(C)c(=O)n(C)c2=O)cc1 93458901 LDHQEMJKFOYSQK-INIZCTEOSA-N 345.468 1.683 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2cccc(Br)c2)CC1 63797152 XYXYAFADYQIZAU-UHFFFAOYSA-N 340.221 1.856 0 40 EDAB CCN1C[C@@H](C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)CC1=O 69560428 HANTWJOUCMUAEK-CABCVRRESA-N 345.443 1.506 0 40 EDAB C[C@@H](c1ccccc1F)N1CCN(C(=O)CCn2cncn2)CC1 69847959 YWNURIRLLWSZLE-AWEZNQCLSA-N 331.395 1.713 0 40 EDAB O=C(c1ccc(NC2CC2)nc1)N1CCCN(c2cccnn2)CC1 69847958 CBWDAYHPCMRDTL-UHFFFAOYSA-N 338.415 1.798 0 40 EDAB COc1ccc(NC(=O)CSc2nc(O)c3c[nH]nc3n2)cc1 4249604 DSPLXPNPMWFKRX-UHFFFAOYSA-N 331.357 1.798 0 40 EDAB O=C(NCc1ccc(CO)c(F)c1)NC[C@@H]1COc2ccccc2O1 65041247 NVJUBHAZRVRTLM-CQSZACIVSA-N 346.358 1.957 0 40 EDAB CCc1ccc(-c2n[nH]c(SCC(=O)N3CCNC3=O)n2)cc1 5178802 MUGUNWSWWIPFIL-UHFFFAOYSA-N 331.401 1.678 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2ccc3c(c2)COC3)CC1 69928052 MLGVVRSOVGVKSK-KRWDZBQOSA-N 332.444 1.882 0 40 EDAB CC(C)C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCOc2ccccc21 65417504 DBPSHYDNJNBFPW-KGLIPLIRSA-N 340.445 1.590 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)COC)cn2)CC1 65447308 GTNZIQJKPLAQLW-OAHLLOKOSA-N 349.479 1.400 0 40 EDAB CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 14086301 PCRNQWROQAXFSM-UHFFFAOYSA-N 325.434 1.339 0 40 EDAB CN(C(=O)NCCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 65564004 ZMLCRPDZLQHPEW-LBPRGKRZSA-N 346.836 1.547 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCC(C(=O)Nc2ncccn2)CC1 65552044 UTQYONXCIUIEBE-HNNXBMFYSA-N 339.399 1.354 0 40 EDAB CCOc1ccc(NC(=O)c2ccoc2CN2CCNC(=O)C2)cc1 65521655 OQFVGNKHMMTTPT-UHFFFAOYSA-N 343.383 1.862 0 40 EDAB Cc1ccc(OC2CCN(CC(=O)N3CCNC(=O)C3)CC2)cc1C 65520054 RVVDNDDLSNVBCV-UHFFFAOYSA-N 345.443 1.105 0 40 EDAB NC(=O)c1ccc(NC(=O)COC(=O)c2[nH]nc3ccccc23)cc1 6506999 QLQLQWHBOZLWHX-UHFFFAOYSA-N 338.323 1.457 0 40 EDAB CCCCN1C(=O)[C@](O)(c2c(C)nn(CCO)c2N)c2ccccc21 6882330 FSURUTXPVJEWIH-GOSISDBHSA-N 344.415 1.149 0 40 EDAB CN(C)[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 66992460 JPEPCYNHCJPNDA-KRWDZBQOSA-N 336.399 1.695 0 40 EDAB CC(C)(C)SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 6906271 OWBOVANKNXTTJJ-UHFFFAOYSA-N 330.475 1.524 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(C)(C)C2=O)c1C 7007350 GDRJWJIKWPOTDD-UHFFFAOYSA-N 335.360 1.321 0 40 EDAB O=C1CN(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCN1 7334224 YMGSKRPZGGESOM-UHFFFAOYSA-N 345.399 1.489 0 40 EDAB CCc1ccc2ncnc(NCCCN3CCN(CCO)CC3)c2c1 19797494 OWUCMJOIAJEZGS-UHFFFAOYSA-N 343.475 1.604 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)Nc2nc3c(s2)CCCCC3)CCO1 96005569 QJLQKZGVQWADJP-NSHDSACASA-N 338.433 1.391 0 40 EDAB O=C(NCCn1ccnn1)N[C@@H]1CCCN(Cc2ccccc2)C1 96007836 XRSPVUMCGFOAIM-MRXNPFEDSA-N 328.420 1.242 0 40 EDAB CC(C)c1noc(CCNC(=O)NCCc2cn3c(n2)CCCC3)n1 69061884 FTDVJVXDEYUSRU-UHFFFAOYSA-N 346.435 1.810 0 40 EDAB CC1(C)CC(NCc2cnc(N3CCOCC3)nc2)CC(C)(C)N1 71799788 RMWXRPUJQGORIN-UHFFFAOYSA-N 333.480 1.712 0 40 EDAB Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(C)n(C)n3)C2=O)cc1 96425885 HTMHUWZINLJQFP-OAHLLOKOSA-N 326.400 1.962 0 40 EDAB CCC[C@@](C)(NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)O 89949442 XSQWIDRRLSVITA-SJORKVTESA-N 347.371 1.114 0 40 EDAB Cc1ccc(CC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 71841519 KPZLKNRRJZGGJJ-HNNXBMFYSA-N 329.375 1.532 0 40 EDAB O=C(COc1ccc(N2CCCC2=O)cc1)N1CCN(C2CC2)CC1 71836743 KDBMABSRLYTHMB-UHFFFAOYSA-N 343.427 1.499 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(=O)[nH]c1 71832907 GWJDLKQKZYNRBB-GFCCVEGCSA-N 326.274 1.857 0 40 EDAB CC(C)=CC(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 71888089 VDIRGWIMVCGQCN-KRWDZBQOSA-N 329.444 1.966 0 40 EDAB O=C(NCCN1CCCCC1)[C@H]1CN(Cc2ccccc2)CCO1 71921768 DPMCIYYZZGQUNX-GOSISDBHSA-N 331.460 1.490 0 40 EDAB CCCN(CC(F)F)C(=O)CN1CCN(c2ccccn2)CC1 71916705 WSGUUIYPOZQNJQ-UHFFFAOYSA-N 326.391 1.707 0 40 EDAB CCCNC(=O)COC(=O)[C@@H](c1ccccc1)N1CCSCC1 71921315 AJTOQACQFAICLQ-MRXNPFEDSA-N 336.457 1.846 0 40 EDAB NC(=O)[C@H]1C[C@H](O)CN1C(=O)Nc1cccc(OCC(F)(F)F)c1 75572589 GQJUUWPITQDPOF-GXSJLCMTSA-N 347.293 1.080 0 40 EDAB COc1ccc(CN(C)C(=O)CN2CC(n3cc(C)cn3)C2)cc1F 75605421 BHUYRPROVKHVHR-UHFFFAOYSA-N 346.406 1.855 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)COc3cc(C)on3)CCO2)n1 76045857 BMAYJFGQFXNYSP-LLVKDONJSA-N 335.364 1.033 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)Nc3cnn(C)c3)CC2)c1 76061176 FZUVVEBIEVDZFY-UHFFFAOYSA-N 343.387 1.419 0 40 EDAB CN1C(=O)C[C@H](C(=O)N[C@@H]2CCc3nccn3C2)[C@@H]1c1cccs1 72291332 YTDJWXOSGYAIKX-BFQNTYOBSA-N 344.440 1.595 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)c2ccc(C(N)=O)s2)c(C)nn1C 72234445 POUNHXNBFHLNEI-JTQLQIEISA-N 348.428 1.875 0 40 EDAB O=C(CNC[C@@H]1CCCN1c1cccnn1)NCCc1ccsc1 72276769 NQUVHLJDNXBFIS-HNNXBMFYSA-N 345.472 1.455 0 40 EDAB Cc1cc(C)n(-c2cncc(N(CCN(C)C)C[C@@H]3CCCO3)n2)n1 72283106 DYVXUTIHSWXJBN-INIZCTEOSA-N 344.463 1.826 0 40 EDAB CN(CCNc1cc(N2CCC[C@@H]2CO)ncn1)Cc1ccccc1 72276176 PGGQZOAODFGIJL-QGZVFWFLSA-N 341.459 1.982 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)[C@@H]1CC(=O)Nc3cc(F)ccc31)CC2 97198770 QJOGVSXYRDGCPE-WCQYABFASA-N 343.362 1.283 0 40 EDAB C[C@H](c1nc(-c2ccccc2)no1)N1CCc2nn(C)c(=O)cc2C1 72302302 WSTYEAUFBYHZRM-GFCCVEGCSA-N 337.383 1.950 0 40 EDAB O=C1NC(=O)c2cc(S(=O)(=O)N3CCc4ccc(F)cc43)ccc21 78583575 UHKUDGOFGHLOGI-UHFFFAOYSA-N 346.339 1.461 0 40 EDAB C[C@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)[C@@H](O)Cc1ccccc1 95434318 AJEOALZOBGKKKN-SJCJKPOMSA-N 339.395 1.589 0 40 EDAB CC1CCN(C[C@@H](O)COc2cc(Cl)ccc2C(N)=O)CC1 95439104 FEMOPWNQJPZHPP-CYBMUJFWSA-N 326.824 1.911 0 40 EDAB CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 95449813 NYCAALJHKRYLMV-BRWVUGGUSA-N 334.391 1.825 0 40 EDAB O=C(CNC(=O)c1ccc(F)cc1)NCC[C@@H](O)c1ccccc1 95409915 XCBYDZIQICFOSY-MRXNPFEDSA-N 330.359 1.795 0 40 EDAB Cc1nc2n(c1CN1CCN(C(=O)[C@@H]3OCC[C@@H]3C)CC1)CCCC2 95988474 DHQBHTFEEOTISH-KBXCAEBGSA-N 346.475 1.597 0 40 EDAB CN(C)c1cccc(CNC(=O)Nc2ccc3c(c2)oc(=O)n3C)n1 95981858 DNTWBTRKBUSFMH-UHFFFAOYSA-N 341.371 1.914 0 40 EDAB O=C(CO)N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 89768415 XAQNYUQVZUEWQA-UHFFFAOYSA-N 332.187 1.662 0 40 EDAB Cc1cnc(COCC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)o1 557067130 MKFMHAQMCVOYKX-LSDHHAIUSA-N 334.347 1.973 0 40 EDAB CCCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)COC)ccc1C 408620446 JRXGFYOEVMCFOV-LBPRGKRZSA-N 328.434 1.448 0 40 EDAB Cc1cccc(CNC(=O)CC2CCN(S(C)(=O)=O)CC2)n1 72344539 ZHZLFDZPXUFLTJ-UHFFFAOYSA-N 325.434 1.068 0 40 EDAB Cc1ccc(-c2nc(N3CCNC(=O)C3)ncc2-c2ccncc2)cn1 72342348 LPHFTQLMRQIHNC-UHFFFAOYSA-N 346.394 1.845 0 40 EDAB COc1ccc(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)n(C)n2)cc1 79479036 FYEOTNCAXNGTOP-LBPRGKRZSA-N 349.412 1.013 0 40 EDAB O=C(Cn1nc2ncccn2c1=O)Nc1ccccc1C(F)(F)F 70701725 HEYQHHCZSAVRKY-UHFFFAOYSA-N 337.261 1.549 0 40 EDAB CCN1C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc21 227161939 GOYLCABBLYUPBA-UHFFFAOYSA-N 346.408 1.910 0 40 EDAB O=C(CCc1ccccc1)NCCn1c(=O)[nH]c2ccsc2c1=O 225805423 KPXMGBZNXPXDDG-UHFFFAOYSA-N 343.408 1.500 0 40 EDAB COCCCNC(=S)Nc1nc(OC)cc(N2CCCC2)n1 225899981 INTWTTCAEFRXQB-UHFFFAOYSA-N 325.438 1.408 0 40 EDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(OC)nc2)c1C 40287963 PGDOVBXLXPCBJJ-UHFFFAOYSA-N 331.376 1.178 0 40 EDAB CN1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)CC1 49725782 KAFBWHDNJREINR-MRXNPFEDSA-N 349.862 1.648 0 40 EDAB CCOc1ccc(C(=O)NCCn2cnc3sccc3c2=O)cn1 225810427 ZCEVRGBZKIBDOJ-UHFFFAOYSA-N 344.396 1.682 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N1CCc2c(Cl)cccc2C1 81434246 FFCDDFQGOGRQJY-UHFFFAOYSA-N 344.864 1.896 0 40 EDAB Cc1nc(C)c(S(=O)(=O)N2CCC3(CC2)C[C@H]3C(=O)O)s1 572006859 ZGGNOZGMPWJOBR-JTQLQIEISA-N 330.431 1.635 0 40 EDAB Cc1cc(C)cc([C@H](NS(=O)(=O)[C@@H]2CCO[C@H]2C)C(=O)O)c1 575293601 HPXYLKXZWWRDQU-YUTCNCBUSA-N 327.402 1.526 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)cn1 40287081 HNEMRTSSZQSYBP-HNNXBMFYSA-N 342.399 1.448 0 40 EDAB Cc1ccc(-n2[nH]c(C(=O)N3CCN(C)C[C@H]3C(C)C)cc2=O)cc1 81433065 NJYRNEPLAASQQL-KRWDZBQOSA-N 342.443 1.886 0 40 EDAB COCc1ccccc1S(=O)(=O)NCc1cc(C(=O)O)c(C)o1 581718662 YIXZTGYMCWCVHO-UHFFFAOYSA-N 339.369 1.911 0 40 EDAB CC(C)(C)c1ccc(C(=O)NC[C@@H](O)Cn2ccccc2=O)cc1 96124342 DQKZLQPXQDLJHI-MRXNPFEDSA-N 328.412 1.937 0 40 EDAB CC(=O)N1CCCc2sc(C(=O)NCCc3cccnc3)nc21 96264675 LGPVWMAEMUVJHW-UHFFFAOYSA-N 330.413 1.810 0 40 EDAB O=C(c1cn(-c2cccc(Cl)c2F)nn1)N1CCc2[nH]ncc2C1 96494135 VLGZMPSVRUNWIO-UHFFFAOYSA-N 346.753 1.981 0 40 EDAB C[C@@H](CNC(=O)c1cn(-c2cccc(Cl)c2F)nn1)[S@](C)=O 96494179 VUXYPOBWHYTNLI-QSIZCVBASA-N 344.799 1.557 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)S1 96426933 PCNCBLLLQJULCB-GFCCVEGCSA-N 335.477 1.887 0 40 EDAB CC(C)[C@H](C(=O)NCCc1c[nH]cn1)n1nnc2ccccc2c1=O 95473270 UJCMOXBOZHWGET-OAHLLOKOSA-N 340.387 1.071 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO[C@H]3CN(C)C)C2)cc1 96185258 BHRFPLDOPCVNCF-OIISXLGYSA-N 338.473 1.582 0 40 EDAB COCCO[C@@H]1CCN(C(=O)c2ccoc2C)[C@H]1Cc1cnn(C)c1 96200224 AJDPLKHBQJTCBT-DLBZAZTESA-N 347.415 1.810 0 40 EDAB COc1cc(CCC(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@@H]32)on1 583652894 OAGPKUPPGATODV-IPYPFGDCSA-N 347.415 1.475 0 40 EDAB biogenic CCn1cc(NC(=O)C(=O)N2CCc3ccccc3CC2)ccc1=O 96413527 XJPOMQRTIRPRQZ-UHFFFAOYSA-N 339.395 1.434 0 40 EDAB c1cc(CN2CCOC[C@@]3(C2)CN(C[C@@H]2CCOC2)CCO3)ccn1 96229434 NIZUIXPMYNVJKN-RBUKOAKNSA-N 347.459 1.021 0 40 EDAB O=C(CCc1ccccc1)N1C[C@H]2OCC(=O)N(CC3CC3)[C@@H]2C1 96081596 JTTOXOBUNDTOME-IAGOWNOFSA-N 328.412 1.467 0 40 EDAB O=C(NC1CCCC1)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96088081 QDUZYAUYQSBXRN-UHFFFAOYSA-N 346.412 1.337 0 40 EDAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC3CC3)[C@@H]4C2=O)cc1 95471262 ZSTRBARPVXWWDN-YYAJDYIMSA-N 340.379 1.260 0 40 EDAB Cc1cccc(CN2CC3(CCN(C(=O)C4CC4)CC3)OCC2=O)n1 96201464 GHOGXECITVBGEC-UHFFFAOYSA-N 343.427 1.520 0 40 EDAB C[C@@]1(CNC(=O)N2CCNC(=O)C2)CCCN1Cc1ccccc1 97102727 RMXKNPQMJSGOPG-SFHVURJKSA-N 330.432 1.183 0 40 EDAB O=C(COc1ccccc1)N1CC2(CCN2C(=O)c2ccco2)C1 96241273 HXAYCXKFGFYWGG-UHFFFAOYSA-N 326.352 1.786 0 40 EDAB CNC(=O)N1CCc2cc(C(=O)N(C)C)c(NCC(C)C)nc2CC1 96260526 ZSGIKRDEPZYGAF-UHFFFAOYSA-N 347.463 1.591 0 40 EDAB O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1nccn2ccnc12 96444683 BRNAJAAPBMQXBQ-OAHLLOKOSA-N 349.394 1.764 0 40 EDAB Cn1cc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccccc4)[C@H]3C2)cn1 248166163 ZVTDLKGYCSLKHZ-KZNAEPCWSA-N 340.427 1.297 0 40 EDAB CC(C)NC(=O)[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 248012564 RPIHZAGHGIZUII-HNNXBMFYSA-N 342.399 1.693 0 40 EDAB CO[C@@H]1CC[C@@H](N(C)C(=O)COc2ccc3c(c2)CCCC3)[C@H]1O 257246234 ITFHUSFEMNRVIT-ZHALLVOQSA-N 333.428 1.941 0 40 EDAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)CC 252514281 BRXZXGWTOHDPCK-LZWOXQAQSA-N 325.430 1.410 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)CCCn2ccnc2)n1 257228607 FUOAMTVYFBNICA-AWEZNQCLSA-N 331.376 1.067 0 40 EDAB CN(C)C(=O)c1ccc(OC2CCN(C(=O)C3(C)COC3)CC2)nc1 585127499 BQXPQHYYWBMYQA-UHFFFAOYSA-N 347.415 1.190 0 40 EDAB COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)on1 585128993 TYRAUSSRXRBODH-MRVPVSSYSA-N 338.341 1.585 0 40 EDAB Cc1ccc2[nH]c(C(=O)NC3(CS(C)(=O)=O)COC3)cc2c1C 585125751 DOUVJLZWOALQBL-UHFFFAOYSA-N 336.413 1.328 0 40 EDAB CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 585123837 DNUKGACTDPLVGS-XHDPSFHLSA-N 331.434 1.144 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)NCCc1ccccn1 585121521 RQEHVZJUGRDBHV-KBXCAEBGSA-N 349.431 1.501 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 585141703 XDHOVDINGXVAOU-SNVBAGLBSA-N 344.337 1.807 0 40 EDAB COc1cc2c(cc1CNC(=O)N[C@H]1C(=O)NCC1(C)C)O[C@H](C)C2 585137594 IIROSVDUMYKAPU-BMIGLBTASA-N 347.415 1.342 0 40 EDAB Cc1ccccc1CNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 585131724 DZKIGZKMAMZYRZ-VXGBXAGGSA-N 335.347 1.834 0 40 EDAB COc1ccc(OCC(=O)N2CCC[C@H]2c2ccnc(O)n2)cc1 257271976 NANXQZKJLRXRMJ-HNNXBMFYSA-N 329.356 1.933 0 40 EDAB COc1ccccc1[C@H]1CN(C(=O)C(C)(C)n2cncn2)CCN1C 257225180 FFEYEXKOIWFCRK-OAHLLOKOSA-N 343.431 1.537 0 40 EDAB NCC(=O)N1CCC(CCc2ccnc(Nc3cnccn3)c2)CC1 257263205 LOWTVWVBIAGWNJ-UHFFFAOYSA-N 340.431 1.745 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)COc2ccc(F)cc2)CCO1 257209721 BRQLAWBRLOHVNE-CYBMUJFWSA-N 332.335 1.177 0 40 EDAB CCO[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 253386238 WBNZOFGRNKJSAL-HNNXBMFYSA-N 343.383 1.602 0 40 EDAB COc1ccc(C(=O)N2CC(Nc3ncccn3)C2)c(OC)c1OC 253472785 PJOKEVVWJBSBSV-UHFFFAOYSA-N 344.371 1.439 0 40 EDAB CC(C)(C)[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(N)=O)CCO1 279374205 QFEFLCGFLUMPOR-CABCVRRESA-N 333.432 1.540 0 40 EDAB Cc1c(C[S@](C)=O)cccc1NC(=O)Cn1cc(C(=O)O)cn1 600866177 IMSUVFNXSAOHGD-QHCPKHFHSA-N 335.385 1.407 0 40 EDAB O=C(NCCS(=O)(=O)c1ccccc1F)c1cc2n(n1)CCC2 1615051073 LNEMOPHBIIJQPE-UHFFFAOYSA-N 337.376 1.172 0 40 EDAB CC(C)CCC(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3cccnc3)[C@H]2C1 575402872 DBMNOCLLLJPNTI-BRWVUGGUSA-N 345.443 1.721 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)C2CCC2)Cc2cncn21 585096124 SPDXMLASPLZUAO-HNNXBMFYSA-N 328.372 1.476 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2cscn2)C1 585178726 CTVSFYDPBFCIEB-QGZVFWFLSA-N 349.431 1.991 0 40 EDAB CNC(=O)C[C@@H]1CN(Cc2cc(OC)cc(OC)c2)Cc2ccnn21 585111715 GNJLASLVEPIEAQ-OAHLLOKOSA-N 344.415 1.593 0 40 EDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O)c1cccc(F)c1 585261611 XYLXBTKBWVRBRC-NCOADZHNSA-N 331.343 1.497 0 40 EDAB Cc1ccc(C(=O)NC2CCN(C(=O)C3=COCCO3)CC2)s1 50476028 IESRUUDSSOYIIW-UHFFFAOYSA-N 336.413 1.666 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccccc1 58281878 KPTMNUHRDKLOLU-UHFFFAOYSA-N 346.408 1.563 0 40 EDAB CCNC(=O)C1CCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CC1 68881300 PWECROMYCATVSX-UHFFFAOYSA-N 346.435 1.227 0 40 EDAB CS(=O)(=O)CCNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 66617211 RWZGKDOHLRWZSR-UHFFFAOYSA-N 335.347 1.898 0 40 EDAB Cc1oc(-c2ccsc2)nc1CC(=O)NCCCS(C)(=O)=O 69369222 CWZUXELGYNUOJZ-UHFFFAOYSA-N 342.442 1.805 0 40 EDAB C[C@@H]1CN(Cc2nc3ncccc3[nH]2)CCN1c1ccc2nncn2n1 69484713 WQXXUFFONXIUFQ-GFCCVEGCSA-N 349.402 1.106 0 40 EDAB CC(C)OCc1cccc(CNC(=O)N2CCS(=O)(=O)CC2)c1 71803915 JNKOKNPMJRVCLV-UHFFFAOYSA-N 340.445 1.552 0 40 EDAB Cc1cc(NCCNC(=O)C2(c3ccccc3)CC2)n2ncnc2n1 89598869 GJAITGAAJYPNMK-UHFFFAOYSA-N 336.399 1.693 0 40 EDAB O=C(O)C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)CCO1 91293435 GFALEWPQVQFFGA-SECBINFHSA-N 346.152 1.904 0 40 EDAB C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)C1CN(S(C)(=O)=O)C1 1615548704 IMNLJKWEYCUBED-SECBINFHSA-N 328.821 1.509 0 40 EDAB N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccn(C2CCOCC2)n1 1615553989 IZQRIKXBAFQUPH-IAGOWNOFSA-N 326.400 1.589 0 40 EDAB O=C1CC[C@H](NC(=O)Cc2ccc(OC(F)F)c(F)c2)CCN1 1615621473 YBTBMPVRYRYOQQ-JTQLQIEISA-N 330.306 1.755 0 40 EDAB CC(C)(C)OC(=O)N1CC2(CC[C@@H](N[C@H]3CCc4ncnn4C3)C2)C1 1616031186 JMHINPVMKYNWFB-KGLIPLIRSA-N 347.463 1.972 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)[C@H]2C[C@H]2c2ccccc2)C1 1616053241 QDLZLMWKUBHPJP-PMPSAXMXSA-N 346.456 1.880 0 40 EDAB CCSc1cccc(Cn2nnnc2N(C)C[C@H]2COCCO2)c1 1616033259 MRYDQWAJMCRHDR-AWEZNQCLSA-N 349.460 1.685 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1 5729475 PHYZEXLCOJVVFD-UHFFFAOYSA-N 326.399 1.443 0 40 EDAB Cc1c(CNS(=O)(=O)c2ccc(Br)cc2)cnn1C 14249339 OPUKIXCVKCMTRA-UHFFFAOYSA-N 344.234 1.970 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 19526771 VZGODBFIWOLJDC-KHSSZTOVSA-N 348.374 1.413 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19741390 HDCGNSSVOYGZCI-GFCCVEGCSA-N 338.433 1.181 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(F)cc1)C3 19821155 XWNSSEGKJVARFQ-JTQLQIEISA-N 339.326 1.674 0 40 EDAB O=C(CSC1CCCC1)NCCn1nc2c(cc1=O)CCCC2 575607931 LNMWQXAWYRXNMG-UHFFFAOYSA-N 335.473 1.914 0 40 EDAB Cc1cccn2c(=O)nc(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)nc12 4504160 PURNWYKSMSMLAC-VXGBXAGGSA-N 348.428 1.126 0 40 EDAB CCc1nc(N2C[C@H]3CN(c4ccnc(C)n4)C[C@@H]3C2)nc(O)c1F 1888854184 FZJMSXVUZNIFKK-VXGBXAGGSA-N 344.394 1.555 0 40 EDAB O=C([C@@H]1CN(Cc2nc3c(s2)CCC3)CCO1)N1CCCCC1 1888890539 FSGARGYHOQBWFW-AWEZNQCLSA-N 335.473 1.845 0 40 EDAB COc1cnc(OC2CCN(c3nccc(N(C)C)n3)CC2)nc1 1889101123 SYCDDIFVSCJANQ-UHFFFAOYSA-N 330.392 1.389 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)N1CC(Cn2cc(Cl)cn2)C1 1889133995 OQGFWSZPJWJMNU-UHFFFAOYSA-N 336.779 1.016 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2cccc(O)c2)NC(=O)N[C@@]1(O)C(F)(F)F 19898487 PJNBCPGIVGWJIH-CWSCBRNRSA-N 348.277 1.176 0 40 EDAB COCc1ccccc1CNC(=O)N1CCN(c2ncccn2)CC1 26391055 ZDAFDIXUTIYDBD-UHFFFAOYSA-N 341.415 1.655 0 40 EDAB COc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)cc1C(N)=O 26751732 QKDLPCCZLAVISS-LLVKDONJSA-N 349.412 1.361 0 40 EDAB COC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2COCCO2)CC1 32945900 MWPWSGIJGYBJGG-HNNXBMFYSA-N 333.384 1.135 0 40 EDAB CN(C)C(=O)c1cnn(CC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 2037597107 RSTNGAWVIUWHFP-SJORKVTESA-N 334.464 1.600 0 40 EDAB CO[C@H]1[C@H](CNC(=O)CCc2c[nH]c3ccccc23)COC[C@H]1OC 2037961639 NKUIGFLZGSTZMH-BJZITVGISA-N 346.427 1.893 0 40 EDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2ccc(C)cc2)CC1 2055745710 WEWMOOQOQHVSRN-UHFFFAOYSA-N 341.459 1.343 0 40 EDAB O=C(NCc1ccco1)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2 38670614 NASVGKSPIBMRAU-LBPRGKRZSA-N 342.355 1.378 0 40 EDAB NCCn1nc([C@@H]2CCN(C(=O)C[C@H]3C=CCC3)C2)c2nccnc21 19404335 YUWHSGZSRVJYKT-UONOGXRCSA-N 340.431 1.457 0 40 EDAB CSCC[C@](C)(O)CNS(=O)(=O)c1c(F)cccc1F 75157560 PXLSBDDPQOOBDF-LBPRGKRZSA-N 325.402 1.747 0 40 EDAB COc1cccc(C(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)c1 7168173 WMTJHKJBDWQFTC-UHFFFAOYSA-N 336.369 1.604 0 40 EDAB Cc1ccc(NC(=O)[C@H](C)SCc2cc(=O)n(C)c(=O)n2C)cc1 40086347 GFMTVLCMGUWFGY-LBPRGKRZSA-N 347.440 1.653 0 40 EDAB Cc1noc(CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCO3)n1 40106154 FTZLSIKLOFAFCL-UHFFFAOYSA-N 330.749 1.875 0 40 EDAB C[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCOCC1)n1cncn1 40498652 PMCXJJNTHNQQJM-GOEBONIOSA-N 329.404 1.029 0 40 EDAB C[C@H]1Cc2cc(C(=O)NCCn3ccnc3)ccc2N1S(C)(=O)=O 40474254 ASKLFQBVFIQNND-LBPRGKRZSA-N 348.428 1.024 0 40 EDAB C[C@H](Nc1ccc(OCC(F)(F)F)cc1)C(=O)N1CCNC1=O 40479606 FJMRGTVDLYRACX-VIFPVBQESA-N 331.294 1.980 0 40 EDAB CN(Cc1ccco1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 40476317 ZJGLQRAUSOBCEI-UHFFFAOYSA-N 337.401 1.311 0 40 EDAB O=C(CSc1nnnn1C1CCCC1)Nc1nnc(C2CC2)o1 31848659 CBAYJTYHTCSHRU-UHFFFAOYSA-N 335.393 1.779 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1cccnc1 51134610 QYAGLGSQPIADOI-LLVKDONJSA-N 346.412 1.312 0 40 EDAB CN(CC(=O)NCCCOC1CCCCC1)c1ncnc2[nH]cnc12 45979434 CPXJRLKOWTZOMK-UHFFFAOYSA-N 346.435 1.645 0 40 EDAB O=C(NCCN1CCCCCC1=O)c1ccc(-n2cncn2)cc1 32309171 WAWOGXRAYLNNHM-UHFFFAOYSA-N 327.388 1.400 0 40 EDAB CC(=O)N1CCCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1 32757496 OOADMHJGFVXTIG-UHFFFAOYSA-N 345.399 1.456 0 40 EDAB NS(=O)(=O)Cc1ccc(NC(=O)c2cccnc2Cl)cc1 32754316 JOEJJQGAUVEZHM-UHFFFAOYSA-N 325.777 1.776 0 40 EDAB O=c1c(Cl)c(Cl)cnn1Cc1cc(=O)n2ccsc2n1 6083494 AHSCRZFZDMKKLE-UHFFFAOYSA-N 329.168 1.668 0 40 EDAB COc1ccc([C@H]2NNC(=O)[C@H]2NC(=O)c2ccc(F)cc2)cc1 6441562 YMIBBNYVFVMYLH-CABCVRRESA-N 329.331 1.308 0 40 EDAB O=C(OCn1nnc2ccccc2c1=O)c1cc(=O)c2ccccc2o1 2648957 JCUUEMLDKYQJAK-UHFFFAOYSA-N 349.302 1.712 0 40 EDAB CN(c1ccc(C(=O)CSc2ncccn2)cc1)S(C)(=O)=O 8499844 NAUHVEDDIQVRMF-UHFFFAOYSA-N 337.426 1.847 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CCn1nc(O)c2ccccc2c1=O 29956353 GVXYSPSUUUFTNF-UHFFFAOYSA-N 341.371 1.481 0 40 EDAB CC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102604707 WGBKNYHYLXXHQS-YXAMBPQSSA-N 341.363 1.968 0 40 EDAB CC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 7985528 MUBCPMJNTRHWND-NSHDSACASA-N 345.442 1.670 0 40 EDAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 59291022 JASQVVHNUARWIV-UHFFFAOYSA-N 341.433 1.581 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCO[C@@H]2CCCC[C@@H]21 53617154 ZPXOOOGLNUKZDY-NWDGAFQWSA-N 349.412 1.735 0 40 EDAB COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl 12232457 RGKCRFPPQXZHEX-UITAMQMPSA-N 341.799 1.014 0 40 EDAB NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)cs1 23762357 QJVXXIZNYWGORQ-UHFFFAOYSA-N 326.355 1.346 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCc3ccccc32)CC1 42960460 BFECJCKSYDKKJG-HNNXBMFYSA-N 337.445 1.351 0 40 EDAB NC(=O)C1CCN(C(=O)COC(=O)CCc2ccccc2F)CC1 24516911 CQJBIIXMLRESEN-UHFFFAOYSA-N 336.363 1.025 0 40 EDAB C[C@@H]1[C@@H](NC(=O)CN2CCN(c3ncccn3)CC2)CCC[C@H]1C 105925654 MPZNXFDZNIJWCM-PMPSAXMXSA-N 331.464 1.540 0 40 EDAB COC(=O)c1sc(Cl)cc1S(=O)(=O)NC[C@H]1CCCO1 59842297 ASSWPJMKALABLL-SSDOTTSWSA-N 339.822 1.645 0 40 EDAB O=C(Nc1ccc(-n2ccnc2)nc1)c1ccc(-c2nnn[nH]2)cc1 25009343 KCKCPMYJLQRXMU-UHFFFAOYSA-N 332.327 1.700 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C(F)(F)F)cc1 25033980 HDKJXQAWHAQPJK-NSHDSACASA-N 344.289 1.209 0 40 EDAB Cc1cc(NC(=O)NC[C@H](c2ccccc2)N2CCOCC2)n(C)n1 43433534 CCHFZYPFRCEUBP-MRXNPFEDSA-N 343.431 1.924 0 40 EDAB CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]1COCCO1 106765807 GBKFCOXRBLWXQK-MELADBBJSA-N 344.477 1.244 0 40 EDAB O=C(c1ccoc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 25382260 BFUCODQLUJVUNU-INIZCTEOSA-N 342.351 1.404 0 40 EDAB O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)[C@H]1CCCOC1 110631844 OVGSITRXPNZMHD-YLFCFFPRSA-N 328.412 1.686 0 40 EDAB NC(=O)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c1 25514546 RKXNHBYHDFPAFM-ZDUSSCGKSA-N 327.340 1.622 0 40 EDAB CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C2CCC2)CC1 57735235 ONIIXBQJPHAVCI-UHFFFAOYSA-N 337.445 1.043 0 40 EDAB Cc1nnc(NC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)s1 58023569 QSMWJRHZDBFDQQ-NQBHXWOUSA-N 339.465 1.952 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CCOCCOc1ccccc1 58152839 STIPROCPDCHVPP-IBGZPJMESA-N 340.423 1.994 0 40 EDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(O)c1 10272202 JLKFLOARZRNJGC-AWEZNQCLSA-N 330.344 1.462 0 40 EDAB COc1ccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 58203252 FCGDYHPNOBJLIA-LBPRGKRZSA-N 327.406 1.241 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(C)(C)c1ccccc1F 58202366 HNVQUMQVOYITBL-UHFFFAOYSA-N 347.390 1.537 0 40 EDAB CN(C)C(C)(C)CNC(=O)c1nc(N2CCOCC2)ncc1Cl 44966949 XFJQAVKOSXAJGS-UHFFFAOYSA-N 341.843 1.037 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)[C@H](C(C)C)N2CCCC2=O)cc1 58379307 DOIAEMVMTXCZFI-KRWDZBQOSA-N 345.443 1.652 0 40 EDAB CCCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 58344017 LKEXBBWOXBSYJT-HNNXBMFYSA-N 347.459 1.297 0 40 EDAB CCN(CC)CCNC(=O)CCCn1nnc(-c2ccccc2)n1 58420444 PNECTPPLZMVDND-UHFFFAOYSA-N 330.436 1.578 0 40 EDAB NC(=O)NC(=O)COC(=O)/C=C/c1cccc(Br)c1 3305382 UUZZYBSTUYAIAH-SNAWJCMRSA-N 327.134 1.200 0 40 EDAB CN1C[C@H](C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)CC1=O 58759906 AWXKMZKTAOMRFH-GFCCVEGCSA-N 332.400 1.330 0 40 EDAB CN(C)c1cc(CNC(=O)CN2CCc3sccc3C2)ccn1 58796933 KULKHVYMMPNZCP-UHFFFAOYSA-N 330.457 1.884 0 40 EDAB Cc1noc([C@H](C)OC(=O)CNC(=O)c2ccc3c(c2)OCO3)n1 28216484 SERFTJSJXJOEMX-QMMMGPOBSA-N 333.300 1.141 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 48301766 KPEZCFBJMQDESF-GUYCJALGSA-N 349.456 1.939 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)[C@H]3CCCCN3C2=O)c1 48361509 XQCBQFGHSBSMDN-HUUCEWRRSA-N 332.400 1.860 0 40 EDAB NC(=O)c1ccsc1NC(=O)COC(=O)CCOc1ccccc1 3486548 SRBAZDLSAHEJFJ-UHFFFAOYSA-N 348.380 1.798 0 40 EDAB COc1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1OC 21721140 HGOPOXYFTPWLRB-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB CC[C@@H]1CN(C(=O)CSc2ccc(S(C)(=O)=O)cc2)CCO1 69893269 SDLCUMFQWICINO-GFCCVEGCSA-N 343.470 1.820 0 40 EDAB C[C@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)Cn1ccnc1 69848576 VWKZCMPNXOURAM-CQSZACIVSA-N 344.419 1.573 0 40 EDAB O=C(NCCS(=O)(=O)N1CCSCC1)Nc1ccc(F)cc1 69815659 VVHPSPOUISFNLJ-UHFFFAOYSA-N 347.437 1.326 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1nc(-c3ccccn3)no1)CC2 69807757 IXMRHKDZLCLYPD-NSHDSACASA-N 325.376 1.390 0 40 EDAB CCOC(=O)CCCCCN1CCN(c2nccc(OC)n2)CC1 70006122 LRZRQYUWDYHVKW-UHFFFAOYSA-N 336.436 1.731 0 40 EDAB Cc1cccc(OCc2nnc(SCCNS(C)(=O)=O)o2)c1 69323362 VDMPOCZKBIQVAR-UHFFFAOYSA-N 343.430 1.598 0 40 EDAB CNC(=O)CNC(=O)COc1ccc(Cl)cc1Br 8344678 KFWDJBNFMYHPGM-UHFFFAOYSA-N 335.585 1.344 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NC3CCN(C)CC3)CC2=O)cc1 69420236 PEXOMVDUEAVESR-HNNXBMFYSA-N 345.443 1.254 0 40 EDAB CC(=O)N(C)c1nc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)cs1 69420762 MVNCHINTSKUKEE-OAHLLOKOSA-N 349.460 1.532 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)COCc2ccccc2)CC1 69419268 WFFQVUULHXIGFU-QGZVFWFLSA-N 345.443 1.144 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNCCC(=O)NC1CCCC1 65474790 IRGYYOPYVDLGEZ-UHFFFAOYSA-N 349.479 1.104 0 40 EDAB C[C@H](NC(=O)c1ccc(C(N)=O)nc1)c1ccc(S(C)(=O)=O)cc1 65514592 GJXYYFUVPLXFLT-JTQLQIEISA-N 347.396 1.075 0 40 EDAB CC[C@@H]1CCCCN1C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649278 UNWRSHCIFJEHET-GFCCVEGCSA-N 343.383 1.871 0 40 EDAB Cc1noc(CN2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)n1 69509102 LPTNDUWMTALILG-UHFFFAOYSA-N 339.399 1.860 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)NCCc1ccccc1 69589488 USLANYKVONOSIJ-MOPGFXCFSA-N 343.471 1.821 0 40 EDAB CC(=O)N1CCN(C(=O)CCNC(=O)CCc2cccc(C)c2)CC1 69571616 SUUBQKDOJSWNFO-UHFFFAOYSA-N 345.443 1.125 0 40 EDAB COCCN1CCN(CCCc2nnnn2-c2ccccc2)C[C@H]1C 69951891 FKQAMQDKYNDANZ-MRXNPFEDSA-N 344.463 1.247 0 40 EDAB COc1cccc(NC(=O)C(=O)N2CCC[C@H](c3nc(C)no3)C2)c1 69655477 VVKUQQDDBRZDAM-LBPRGKRZSA-N 344.371 1.731 0 40 EDAB O=C(CNC(=O)c1ccco1)Nc1cccc(C(=O)NC2CC2)c1 8749681 QUCOZCWKJNLZND-UHFFFAOYSA-N 327.340 1.540 0 40 EDAB CONC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 8746689 IZABPBYFNZCGFM-UHFFFAOYSA-N 336.369 1.787 0 40 EDAB Cc1ccc(NC(=O)c2cccnc2Cl)cc1S(N)(=O)=O 19618387 CGNHLMVSZSIOFX-UHFFFAOYSA-N 325.777 1.943 0 40 EDAB CCNC(=O)COc1ccc(CNC[C@H](O)CN2CCCCC2)cc1 71792549 HOJHNNODMLBAPU-KRWDZBQOSA-N 349.475 1.138 0 40 EDAB Cc1n[nH]c([C@H]2CN(Cc3nc(Cc4ccccc4)no3)CCO2)n1 76048785 TYMQLMJYZOZJFB-CQSZACIVSA-N 340.387 1.660 0 40 EDAB CN(CC(=O)NC[C@@H](CO)Cc1ccccc1)C(=O)c1cccs1 72288789 ZHPXOSXWNCDOFF-HNNXBMFYSA-N 346.452 1.788 0 40 EDAB O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCN2CCCC[C@@H]2C1 71839832 JWFNZDRIRNWZHB-SJORKVTESA-N 340.431 1.154 0 40 EDAB COc1cccc2cc(CNC(=O)N3CCS(=O)(=O)CC3)oc12 71803982 LGNRAHQGHKAIMR-UHFFFAOYSA-N 338.385 1.381 0 40 EDAB CCc1nnc(CN2CCN(CCOc3cccc(C)c3)CC2)n1C 71864036 GEBXRDXVOUVVDW-UHFFFAOYSA-N 343.475 1.883 0 40 EDAB Cc1c(C(=O)N2CCN3CCCC[C@H]3C2)cnn1-c1ccccn1 71839815 VNBWVRZWZHMEEZ-HNNXBMFYSA-N 325.416 1.886 0 40 EDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1nccn1Cc1ccccc1 71850395 NZANZWRXWNATFK-CYBMUJFWSA-N 347.440 1.513 0 40 EDAB Cc1noc(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 71883339 PNVBFSZDSSQUQK-LBPRGKRZSA-N 346.362 1.619 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2cccnc2)C(N)=O)cc1 71841597 HNEUJKUAZIQADN-HNNXBMFYSA-N 327.384 1.554 0 40 EDAB C[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)CN1CCN(C)CC1 71853879 ZAAMFTYCWNZQDN-CQSZACIVSA-N 342.443 1.141 0 40 EDAB Cc1nc(CC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cs1 71863631 JLOSTIBRCCQDBB-KRWDZBQOSA-N 345.468 1.872 0 40 EDAB CCN(CCN1C(=O)NC(C)(C)C1=O)C[C@@H]1COc2ccccc2O1 71801933 LMMNTNQSGBSARM-CYBMUJFWSA-N 347.415 1.479 0 40 EDAB Cc1ccc(OCCCN2C(=O)N(CC(N)=O)C(C)(C)C2=O)cc1C 71913908 DJDBDCWSSJAOEJ-UHFFFAOYSA-N 347.415 1.600 0 40 EDAB CSc1nn(C)c(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1C(N)=O 71911313 LINZJIFUWVLOFG-JTQLQIEISA-N 348.428 1.955 0 40 EDAB COC(=O)C[C@@H](NS(=O)(=O)Cc1cc(C)no1)c1cccs1 72275134 UAEOIVQUGOENDL-LLVKDONJSA-N 344.414 1.768 0 40 EDAB Cc1cccc(OCCN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1 84211247 SGFJNUGSJIDPRK-SFHVURJKSA-N 331.416 1.779 0 40 EDAB C[C@H]1CN(C2CCN(c3ncnc4c3cnn4C)CC2)C[C@@H](C)O1 97159023 IPKWBFMMJHGVKF-BETUJISGSA-N 330.436 1.441 0 40 EDAB Cc1nc(C(=O)N[C@H]2CCc3nccn3C2)nn1-c1ccc(F)cc1 97197935 ASNLPJXZQPHLOS-ZDUSSCGKSA-N 340.362 1.656 0 40 EDAB CNC(=O)Cc1ccc(N[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1 76084227 ALUXUUNEPVKRNR-MRXNPFEDSA-N 341.415 1.316 0 40 EDAB CCOc1nnc(CN2CC[C@H](N(C)Cc3noc(C)n3)C2)s1 76047312 YHEROWSXYIJSBB-NSHDSACASA-N 338.437 1.335 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)NCCc2cscn2)c1 72730910 UUFSQJHJDCPPHG-UHFFFAOYSA-N 326.403 1.155 0 40 EDAB Cn1ccnc1CNC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 95447260 KUSBRYWEZQMZDH-LBPRGKRZSA-N 326.759 1.745 0 40 EDAB Cc1cc(C)n(C[C@H](C)NS(=O)(=O)c2cn(C(C)C)cn2)n1 95435932 UNZHOZCFOHWOLQ-LBPRGKRZSA-N 325.438 1.644 0 40 EDAB CCOC(=O)[C@@]1(C)CCCN1C(=O)c1csc(NC(C)=O)n1 95428349 IAELHPPVQURRKT-CQSZACIVSA-N 325.390 1.659 0 40 EDAB Cc1cc2ncn(C[C@H](O)Cn3cnc([S@](C)=O)n3)c2cc1C 95438957 TUJSOYVOFIVIOB-DAOPMYJZSA-N 333.417 1.043 0 40 EDAB NC(=O)Nc1ccc(NC(=O)CCn2nc3ccccn3c2=O)cc1 78806294 JZRGOGHGZSURSZ-UHFFFAOYSA-N 340.343 1.015 0 40 EDAB CC(C)N1CCN(c2cc(N3CCN(C(C)C)CC3)ncn2)CC1 95946003 CVUJLMYNRCOZST-UHFFFAOYSA-N 332.496 1.537 0 40 EDAB Cc1csc2ncc(C(=O)N3CC[C@H](CN4CCCC4)C3)c(=O)n12 95989112 YXZJHZLPIHSDPA-CYBMUJFWSA-N 346.456 1.622 0 40 EDAB CC[C@@H](NCC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)C(C)C 95941176 QUNVQZRPJQPKGJ-CQSZACIVSA-N 341.477 1.914 0 40 EDAB CC(C)c1ocnc1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 79094075 FEEOQGZSVHJHGO-MNOVXSKESA-N 329.422 1.246 0 40 EDAB CCc1cnc(CN2CC[C@H](N(Cc3noc(CC)n3)C(C)=O)C2)o1 89289616 HHSCGTHJJIXGBA-ZDUSSCGKSA-N 347.419 1.805 0 40 EDAB Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)c(=O)[nH]1 75119047 BFHUHKVABFNGQH-UHFFFAOYSA-N 325.412 1.684 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCn2c(nnc2C(F)(F)F)C1 79478964 JRGJXHUIKBGGJJ-UHFFFAOYSA-N 329.282 1.487 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)NCc2ccccn2)s1 23260702 YXTKNXWCPRHZOO-UHFFFAOYSA-N 325.415 1.258 0 40 EDAB Cc1cc(NC(=O)C(=O)NCCCCCO)ccc1Br 170389929 HMQAKFZYECGOTD-UHFFFAOYSA-N 343.221 1.975 0 40 EDAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC2CC2)cc1 408600365 AHKYIJHAZPDCMF-LLVKDONJSA-N 326.418 1.419 0 40 EDAB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]1CCCC[C@@H]1C 409000730 FOVSZQSOGIQPHE-YNEHKIRRSA-N 327.425 1.308 0 40 EDAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(OC)cc2)CC1 36394689 UQRRMRDAWNVQHT-CQSZACIVSA-N 348.447 1.759 0 40 EDAB COC(=O)c1cn(Nc2ccccc2C(=O)O)cc2c(O)nnc1-2 524734701 FDTLQPIVUGZVPX-UHFFFAOYSA-N 328.284 1.449 0 40 EDAB O=Cc1ccccc1OCc1nc(N2CCOCC2)ncc1C(=O)O 72265497 MKANVDXSDAVLAV-UHFFFAOYSA-N 343.339 1.403 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218050236 CMBXNNHKDHTMJE-LZLYRXPVSA-N 346.404 1.998 0 40 EDAB Cc1cc(C)nc(N2CCC[C@H](c3ncc(C(N)=O)c(C)n3)C2)n1 72351994 RCUFESLBFRQBJE-ZDUSSCGKSA-N 326.404 1.675 0 40 EDAB O=C(c1cccs1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 35598162 IOEHTRUITSTHLN-UHFFFAOYSA-N 340.412 1.686 0 40 EDAB C[C@@H]1CCCCN1S(=O)(=O)NC[C@H](Cc1ccccc1)C(=O)O 561433804 JVMUEJWWNOOEDP-HIFRSBDPSA-N 340.445 1.639 0 40 EDAB O=C(NCc1ccc(Cl)cc1)N1CCN(C[C@H](O)C2CC2)CC1 85466785 WWPGXGSCTOADQU-INIZCTEOSA-N 337.851 1.938 0 40 EDAB NC(=O)c1cc([C@H]2CCCCN2C(=O)COc2ccccc2F)n[nH]1 225553749 XUEAPIHKUDDTLZ-CQSZACIVSA-N 346.362 1.780 0 40 EDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@@H](N2CCCCCC2)C1 195574501 APJNTNUMPIAWMX-XHSDSOJGSA-N 330.494 1.834 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCNC(=O)C3CC3)CC2=O)c(F)c1 46149756 LNKTUPHVSPOZKC-ZDUSSCGKSA-N 347.390 1.129 0 40 EDAB CN1C(=O)Cc2cc(S(=O)(=O)N3CCc4ncsc4C3)ccc21 41194307 HBAXAFZYKHLKGD-UHFFFAOYSA-N 349.437 1.409 0 40 EDAB CSc1ccc(CNC(=O)[C@H]2CCc3nn(C)c(=O)cc3C2)cc1 225741766 XPQSTXSTOVQTSY-ZDUSSCGKSA-N 343.452 1.924 0 40 EDAB CCOCc1ncn2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2 96260167 IDMABNYWTHJXLM-UHFFFAOYSA-N 339.392 1.763 0 40 EDAB C[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nnc2ccccn12 95477017 QPWQBTAZURVJMA-GFCCVEGCSA-N 340.391 1.253 0 40 EDAB COCCN1CC[C@@H]2OCCC[C@]2(COCC(=O)N2CCCC2)C1 96039971 WCLWCGWEWIKNPW-FUHWJXTLSA-N 340.464 1.143 0 40 EDAB C[C@H](NC(=O)CN1CCCCC1=O)c1ccc(-n2ccnn2)cc1 95440426 XRTALEHFEDGLCM-ZDUSSCGKSA-N 327.388 1.457 0 40 EDAB O=C(NC[C@H](CO)Cc1ccccn1)[C@@H]1CCOc2ccccc21 96454733 OOIPFHBWYMUNNE-RHSMWYFYSA-N 326.396 1.915 0 40 EDAB CCS(=O)(=O)[C@@](Cl)(I)C(=O)C1CC1 96518299 ZLJAOZDJWJZZHN-ZETCQYMHSA-N 336.578 1.728 0 40 EDAB CN(C)CCOCc1nnn2c1CN(C(=O)c1cccs1)CCC2 96058834 GHIVLEICOCIZSG-UHFFFAOYSA-N 349.460 1.464 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(Cc1nccs1)CC2 96199840 IPAINCGAYWXMIO-CQSZACIVSA-N 345.472 1.857 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)on1 96108903 ZNNBZWKGQGQLRD-CRAIPNDOSA-N 343.383 1.683 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(CC3CCOCC3)C[C@@H]2O1 96043277 VBAFLGSXVSUPCG-JQHSSLGASA-N 345.443 1.926 0 40 EDAB Cc1ccnc(NC[C@@H]2CCN(CCCN3C(=O)CNC3=O)C2)c1 97200805 DEDATLXMIWSJIW-AWEZNQCLSA-N 331.420 1.066 0 40 EDAB CN(C)C(=O)N1CC[C@]2(CCCN(C(=O)Cc3cccnc3)C2)C1 96047141 QCPBZYZOIITMJO-SFHVURJKSA-N 330.432 1.620 0 40 EDAB COc1cccc(CN2CC[C@]3(CCN([C@@H]4CCOC4)C3)C2=O)c1 96159811 IIKXAPGKNNKPAZ-VQIMIIECSA-N 330.428 1.909 0 40 EDAB Cc1ncoc1C(=O)N1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1 96208189 JSVQFCFLYHXYNF-CXAGYDPISA-N 343.387 1.649 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2[C@@H](CNc3cccnc3)CC[C@H]21 96250175 GWGYIWPMMZAROJ-KBRIMQKVSA-N 339.399 1.603 0 40 EDAB CNC(=O)c1cccc(CCNC(=O)NCCN2CCC(C)CC2)c1 96419948 RUMLQQFTOQLJRZ-UHFFFAOYSA-N 346.475 1.620 0 40 EDAB Cn1ccc(C(=O)N2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)n1 96209295 XHYNNPIZAYRRPM-CRAIPNDOSA-N 342.399 1.121 0 40 EDAB COCCNC(=O)[C@@H]1CN(Cc2csc(C)n2)Cc2ccnn2C1 96188792 VGSINSGJKDJRLZ-CYBMUJFWSA-N 349.460 1.043 0 40 EDAB COc1ccc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)c(C)c1F 96501588 OEMACMHWCRFVAE-GFCCVEGCSA-N 330.425 1.715 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)CO[C@@H](COCC1CC1)C2 96105988 AQOBHKFQHDDAPK-OAHLLOKOSA-N 331.416 1.915 0 40 EDAB Cc1cccc(CN2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)n1 96239292 YLFFSUUJHUNUNS-GOSISDBHSA-N 325.416 1.753 0 40 EDAB Cc1cc(CN2Cc3cccn3C[C@H](C(=O)NCC3CC3)C2)no1 247928424 PYWJOIWWRHGCOO-OAHLLOKOSA-N 328.416 1.943 0 40 EDAB Cc1nc(COC[C@H]2CN(CC(=O)N(C)C)Cc3ccnn32)cs1 247969874 HHUWSNDJKHQNFX-OAHLLOKOSA-N 349.460 1.310 0 40 EDAB Cn1ccc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2ccccn2)n1 248087274 BMHFAWWQKUNPDE-CQSZACIVSA-N 342.399 1.263 0 40 EDAB COc1cccc(CN2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCCC3)C2)c1 247893384 NKMXNORKHBRYNT-KZNAEPCWSA-N 330.428 1.907 0 40 EDAB O=C(c1ccncc1)N1CC2(C[C@H](OCC3CCOCC3)CCO2)C1 247854570 KBVBFGQJCGOBEF-QGZVFWFLSA-N 346.427 1.898 0 40 EDAB Cc1cc(C)n(CCNC(=O)c2ccccc2-n2cnc(CN)c2)n1 257208843 BNUIZCHRGGPHRN-UHFFFAOYSA-N 338.415 1.574 0 40 EDAB CN(C)Cc1ccnc([C@@H]2CN(C(=O)c3cncs3)CCO2)n1 257214381 CLTMSKASRVMCNN-LBPRGKRZSA-N 333.417 1.208 0 40 EDAB O=C(c1cc(=O)c2ccccc2o1)N1CCO[C@H](c2cnccn2)C1 257309246 UAFBZVJQYQFJFZ-KRWDZBQOSA-N 337.335 1.797 0 40 EDAB COc1ccc(C(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)cn1 257236178 HBCABBDYFQNGCI-HNNXBMFYSA-N 342.399 1.765 0 40 EDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2cn(C)nc2C)n1 257334189 YEXUFFVNAAATNZ-KRWDZBQOSA-N 341.415 1.737 0 40 EDAB CCOC(=O)COc1ccc(OCCN2CCc3n[nH]cc3C2)cc1 584908364 FAFWHWAQFJAGJZ-UHFFFAOYSA-N 345.399 1.789 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)on1 257305049 SOFCXUDVJDHFIW-HNNXBMFYSA-N 346.387 1.502 0 40 EDAB Cc1nc([C@H](NC(=O)c2nc(C)sc2C)c2cnn(C)c2)no1 585087731 LQPSTNZRPCNXLA-GFCCVEGCSA-N 332.389 1.704 0 40 EDAB CN(C)S(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 585091423 IDULTGIACKIUNG-TVFCKZIOSA-N 349.500 1.635 0 40 EDAB Cc1noc(C)c1-c1cccc([C@H]2CN(CC(=O)N(C)C)CCO2)n1 257258776 KVMILZMOKPRBNT-MRXNPFEDSA-N 344.415 1.815 0 40 EDAB Cc1ccccc1C(=O)N1CC[C@H](O)[C@@H](N2CCCN(C)CC2)CC1 257272839 NECDFPJKOIGCIW-OALUTQOASA-N 345.487 1.598 0 40 EDAB O=C1CCC(=O)N1CCS(=O)(=O)N[C@H]1CCCc2ccccc21 585115253 STKUROHAQUNEGW-AWEZNQCLSA-N 336.413 1.132 0 40 EDAB Cn1c(NC(=O)c2csc(-c3cnccn3)n2)nnc1C1CC1 585113310 FUPHKDUDCWQGAK-UHFFFAOYSA-N 327.373 1.858 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)c(N)cn2)C1 585130083 GYQCDQOKCLIYGM-VIFPVBQESA-N 346.840 1.317 0 40 EDAB COc1ccccc1O[C@@H](C)CNC(=O)CCSCC(=O)O 585134453 USULBAOEPUNEIB-NSHDSACASA-N 327.402 1.787 0 40 EDAB Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)c2nc(O)n[nH]2)nn1C 585135846 FWHCGBVILKGFOJ-LBPRGKRZSA-N 341.375 1.658 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)CCO1 257270389 MUAQAOHWWOSHGT-AWEZNQCLSA-N 346.362 1.880 0 40 EDAB COc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1 260894813 FVFVICPJTTYHNN-GFCCVEGCSA-N 328.434 1.622 0 40 EDAB Cc1nc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccnn2CC2CC2)no1 1615556154 JUDCQCPGOXRINC-WFASDCNBSA-N 346.391 1.314 0 40 EDAB C[C@@](O)(C(=O)NCc1ccc(-n2ccnc2)cc1)C1CCOCC1 1615538246 MXKUZHCOXUVJHF-SFHVURJKSA-N 329.400 1.666 0 40 EDAB O=C(O)[C@@H](C1CC1)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 1616041066 ODDMYKIHNAVAQQ-MRXNPFEDSA-N 336.819 1.890 0 40 EDAB CC1(S(=O)(=O)N[C@](C)(Cn2cnc3ccccc32)C(=O)O)CC1 1616034643 KTQQZJQWCHAHJJ-OAHLLOKOSA-N 337.401 1.352 0 40 EDAB CN(Cc1nnc2n1CCNC2=O)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 1616038799 QWNPBYPNFRPYJO-CHWSQXEVSA-N 331.420 1.196 0 40 EDAB C[C@@H]1C[C@H](O)CN(C(=O)C[C@@]2(O)CCCN(Cc3ccccc3)C2)C1 606444034 VOIRXNVKQLIXDI-KPFFTGBYSA-N 346.471 1.633 0 40 EDAB COC(=O)c1n[nH]c2c1CN(Cc1cc(C(F)(F)F)nn1C)CC2 597141446 SUWXCFDQHCJNHC-UHFFFAOYSA-N 343.309 1.507 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NCC[C@H](O)c1ccoc1 90613147 PCJQKQKVSDBDKQ-JTQLQIEISA-N 345.398 1.530 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](C(=O)NC2CC(F)(F)C2)C1 575406209 YEWCXHLLZFOPJR-WQAKAFBOSA-N 338.358 1.336 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCn2nccc2C1 575606413 VVMKIEUNVDZUEN-LLVKDONJSA-N 341.820 1.838 0 40 EDAB CO[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)CNC(C)=O)C1 585274933 RVEDBOALTYBQGI-KRWDZBQOSA-N 338.379 1.348 0 40 EDAB CCCS(=O)(=O)N1Cc2ccnn2[C@@H](CCN2CCCC2)C1 585111780 BSIHYCXKXPXOPY-HNNXBMFYSA-N 326.466 1.466 0 40 EDAB CN(C)C[C@@H]1CCn2nccc2CN1C(=O)Cc1ccccc1F 585097437 LRMDXRPLTFBLLJ-HNNXBMFYSA-N 330.407 1.927 0 40 EDAB COc1ccc(C(=O)N2CC(F)(F)C[C@]3(CCNC3=O)C2)cc1F 585093474 YONUTLOVIPPGAJ-OAHLLOKOSA-N 342.317 1.822 0 40 EDAB COc1ccccc1NC(=O)NCCCn1nc2ccccn2c1=O 58148282 CXTUZJMIQXBNAN-UHFFFAOYSA-N 341.371 1.716 0 40 EDAB CC(C)N(CCNC(=O)C1CCN(c2ncccn2)CC1)C(C)C 68014463 GACDIBUQBPQLGB-UHFFFAOYSA-N 333.480 1.928 0 40 EDAB CCc1nnc2n1CCN(CCS(=O)(=O)c1cc(C)ccc1C)C2 69460069 KBTOIZBHXYRYPZ-UHFFFAOYSA-N 348.472 1.747 0 40 EDAB Cc1cnn(C[C@@H]2CN(CCS(=O)(=O)c3ccccc3)CCO2)c1 69560177 OOVKLGMPCAYUIS-INIZCTEOSA-N 349.456 1.366 0 40 EDAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)NCc2ccncc2)C[C@@H](C)O1 69696792 OYIQDWRHPHXCKW-UXLLHSPISA-N 332.448 1.865 0 40 EDAB C[C@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)C(=O)NC(N)=O 69659838 RXNCHVUHZSQWHF-ONGXEEELSA-N 325.340 1.379 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3nnsc3Cl)CCO2)n1 72253457 WQYQHVBNOJOCLC-JTQLQIEISA-N 328.829 1.301 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1c(Br)cnn1C 71195862 ORAAZSMEPLTLFR-JTQLQIEISA-N 338.209 1.724 0 40 EDAB Cn1cc([C@H]2C[C@@H](NS(=O)(=O)CCc3ccccc3)CCO2)cn1 583651074 DWGOQEOFLYXJMQ-DLBZAZTESA-N 349.456 1.802 0 40 EDAB CC(C)NC(=O)CN[C@@H]1CCO[C@]12CCN(C(=O)OC(C)(C)C)C2 1616036069 MBXCGHACBSARRS-DYVFJYSZSA-N 341.452 1.269 0 40 EDAB CC(=O)Nc1ccc(N2C(=O)C[C@H](N3C[C@H](C)O[C@H](C)C3)C2=O)cc1 5574241 KKTGZRNDWLAPHX-OZVIIMIRSA-N 345.399 1.386 0 40 EDAB CC[C@@H](C(=O)NCCOC)N(c1ccc(C)cc1)S(C)(=O)=O 13713010 NSJZBCHIUIBTEY-AWEZNQCLSA-N 328.434 1.302 0 40 EDAB CC(C)CNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342494 XCDWVIVYWQRBHL-UHFFFAOYSA-N 329.400 1.623 0 40 EDAB CC(C)(C(=O)O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 563202065 SLNZSLGVGBVAFS-CYBMUJFWSA-N 334.372 1.531 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CC[C@H](n2cc(C3CC3)nn2)C1 253472300 LGTNAASIKUDDHJ-GUYCJALGSA-N 340.383 1.769 0 40 EDAB Cc1oncc1CN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1888849783 KQDAGULBJKYVSC-HOTGVXAUSA-N 325.368 1.600 0 40 EDAB Cn1cc(C(=O)N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)nn1 1888854677 PREFNIZXMJLJHC-LLVKDONJSA-N 328.376 1.024 0 40 EDAB CCN=c1ccnc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)[nH]1 1889130326 NROUJSLIXMEBFI-UHFFFAOYSA-N 345.422 1.800 0 40 EDAB CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 23625751 RFKZGKNYSMBMST-QWHCGFSZSA-N 338.385 1.664 0 40 EDAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[C@@H]1CCS(=O)(=O)C1 37127605 OMFLSHIAZGGMLM-RXMQYKEDSA-N 343.273 1.228 0 40 EDAB C[C@@H](Oc1ccccc1Cl)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 40466692 INPUKBYTROXSGB-GHMZBOCLSA-N 331.821 1.753 0 40 EDAB Cc1cc(O)nc(N2CCC(NC(=O)Cc3ccsc3)CC2)n1 238824923 DNAZTXSHQMZLLD-UHFFFAOYSA-N 332.429 1.880 0 40 EDAB O=C(NC[C@@]1(O)CSCc2ccccc21)C(=O)Nc1ccccc1 2087160234 WRVWXRFXGPMKOH-GOSISDBHSA-N 342.420 1.876 0 40 EDAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)N1CCCC1 11666377 KBQVCVAJVVNHOK-UHFFFAOYSA-N 341.346 1.320 0 40 EDAB O=C(N[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1)C1=CCCC1 2055731536 BKEHWQCWECYWAS-UONOGXRCSA-N 331.416 1.325 0 40 EDAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)c2ccccc2)c1=O 38486384 WWORWKITDPCRSM-UHFFFAOYSA-N 325.368 1.874 0 40 EDAB COc1cccc(NC(=O)CN2CCC[C@@H](NC(=O)C3CC3)C2)c1 1006533096 YYKBRPWZESEUEO-OAHLLOKOSA-N 331.416 1.624 0 40 EDAB O=C(COc1ccc(Cl)cc1)N1CCN(c2cnsn2)CC1 585148979 UARGLUKZYXWCRZ-UHFFFAOYSA-N 338.820 1.919 0 40 EDAB COC(=O)CNC(=O)N1C[C@@H](c2nc(C)no2)[C@H](c2ccccc2)C1 245108391 SVCQWHHNJFGMMD-UONOGXRCSA-N 344.371 1.444 0 40 EDAB O[C@@H]1CCCC[C@@H]1N1CCN(c2nccc(N3CCCC3)n2)CC1 2298178385 NKYRDDKBLDWKLK-JKSUJKDBSA-N 331.464 1.502 0 40 EDAB CCOc1ccccc1NC(=O)C(=O)NC[C@H](O)c1cccs1 73843687 QSDAMTSVPHNUOY-LBPRGKRZSA-N 334.397 1.935 0 40 EDAB O=c1c2c(nc3ccccn13)CCN(S(=O)(=O)C1CCCCC1)C2 225779109 WJHITRMIOOMJLD-UHFFFAOYSA-N 347.440 1.715 0 40 EDAB COc1ccc([C@H](O)CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 31569615 PZSACZTZTLNEKV-SJORKVTESA-N 341.363 1.627 0 40 EDAB Cc1noc(C)c1C(=O)NCCN1CCN(c2ccccc2)CC1 31590049 AUYRBSCQPZFHMT-UHFFFAOYSA-N 328.416 1.843 0 40 EDAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=S)n(C)c1=O)NCC2 20410665 OYHJUYUMNLUKSG-CYBMUJFWSA-N 349.412 1.401 0 40 EDAB biogenic C[C@@H](C(N)=O)S(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 40528996 JNUVDOHCZVRGRL-QMMMGPOBSA-N 328.777 1.784 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)Cc2nc(C3CC3)no2)no1 40528734 GVEPOKGLIIEXHA-MRVPVSSYSA-N 340.361 1.185 0 40 EDAB O=S(=O)(NC[C@H]1CCOC1)c1cccc(OC(F)(F)F)c1 45743001 HTXRXWKIFSKNNF-SECBINFHSA-N 325.308 1.900 0 40 EDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc2ccccc12 45807180 FAWKWLSPOYQNGH-MRXNPFEDSA-N 346.452 1.575 0 40 EDAB NC(=O)[C@H]1CN(C(=O)NCCc2cccc3ccccc23)CCO1 51686172 FITYBPCABYZKIB-MRXNPFEDSA-N 327.384 1.278 0 40 EDAB C[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC[C@H]1CCCO1 1345071 IBNQLIDJXYPBCV-IUODEOHRSA-N 331.368 1.689 0 40 EDAB COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)c1ccc(Cl)cc1 1588001 IHHJMGGXBXHEPH-UHFFFAOYSA-N 349.730 1.516 0 40 EDAB COC(OC)[C@@]1(CCc2ccc(Cl)cc2)NC(=O)N(C)C1=O 1600206 NNUOCJZYOOCJFC-HNNXBMFYSA-N 326.780 1.812 0 40 EDAB COc1ncccc1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1 69772754 XZGVYZQSNYADDN-AWEZNQCLSA-N 325.368 1.621 0 40 EDAB C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N1CCc2sccc2C1 32429634 NIGLOHIEJVUJBP-GFCCVEGCSA-N 331.441 1.623 0 40 EDAB Cc1cc(C)n(CCCNC(=O)[C@@H]2CCCN(c3cnccn3)C2)n1 29779448 LJINXJOHXZDPLA-MRXNPFEDSA-N 342.447 1.713 0 40 EDAB CCC(CC)c1nnc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)s1 32784218 GGJZCGUJMSLJEC-JTQLQIEISA-N 346.478 1.804 0 40 EDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 6891516 BWKJPMVSZCHUDP-QMMMGPOBSA-N 335.223 1.252 0 40 EDAB COc1cccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 7211862 MCEFBYYCNHXVSG-UHFFFAOYSA-N 335.381 1.945 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)CCCN2C(=O)CN(C)C2=O)c1 7705237 KDUDDQMONBONNF-UHFFFAOYSA-N 347.371 1.394 0 40 EDAB O=C1CN(C(=O)COC(=O)Cc2ccsc2)c2ccccc2N1 2642155 LLLHGXJNNSJUTO-UHFFFAOYSA-N 330.365 1.819 0 40 EDAB O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)N1CCCCCC1 2643080 VYAPCMAFPBLLST-MRXNPFEDSA-N 343.427 1.942 0 40 EDAB COc1cc(-c2ncc([C@@H](N)CC(=O)O)cn2)cc(OC)c1OC 8731041 MRBFRBPWNQEURR-NSHDSACASA-N 333.344 1.644 0 40 EDAB COc1ccc(CC(=O)NC2CCN(CC(=O)NC(C)C)CC2)cc1 32934755 LEOIYNUFNILFJD-UHFFFAOYSA-N 347.459 1.343 0 40 EDAB CC(C)[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)N(C)C 32925742 SCGYVYFYHLLVKT-QGZVFWFLSA-N 347.415 1.031 0 40 EDAB C[C@H](CC(=O)c1ccco1)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 89894704 RPEIYPOZWILHMM-OLZOCXBDSA-N 344.367 1.999 0 40 EDAB O=c1/c(=C/c2ccco2)sc2n1CN(c1ccc(F)cc1)CN=2 520927 ZOGHCRSBTWKOBA-ZSOIEALJSA-N 329.356 1.526 0 40 EDAB O=C(N[C@H]1CCCCNC1=O)c1cc(F)cc(Br)c1 46766858 BBZGGEYVTPUHPL-NSHDSACASA-N 329.169 1.987 0 40 EDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1nc(C)cc1C 9647727 STMBYKBSZAFYNX-UHFFFAOYSA-N 347.371 1.942 0 40 EDAB CC(C)N(C)CC(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 89869437 JCQDUNMZOBYORL-QZTJIDSGSA-N 331.460 1.438 0 40 EDAB C/C=C/C=C/C(=O)O[C@@H]1CC/C=C/[C@H](O)[C@H](O)[C@@H](CCC)OC1=O 105152932 TXPRZPDVUZCNLB-ZFOSKHGDSA-N 338.400 1.814 0 40 EDAB biogenic,in-vitro O=S(=O)(N1CCCCC1)N1CCC[C@@H]1c1nnc2ccccn12 42676459 OTXNZBVGQFXBMH-CYBMUJFWSA-N 335.433 1.597 0 40 EDAB Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)on1 23742941 WNPFWUITWXCUPS-OAHLLOKOSA-N 333.363 1.925 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCN(Cc2ccncc2)CC1 42847877 MMUPKNVCLHXAQS-UHFFFAOYSA-N 325.416 1.501 0 40 EDAB Cn1cc(CCNC(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1 43167105 DJNHHWICLAKSQY-HNNXBMFYSA-N 331.420 1.692 0 40 EDAB NC(=O)[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1ccccc1 47959188 PWCYCYPFIUHLTQ-OAHLLOKOSA-N 338.429 1.077 0 40 EDAB O=C1O[C@H](C(=O)Nc2ccc(-n3ccnc3)nc2)Cc2ccccc21 25010584 SEDYUIIEBSVQDO-HNNXBMFYSA-N 334.335 1.988 0 40 EDAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 28207375 NXVJYMHXOGFZBZ-LBPRGKRZSA-N 328.434 1.539 0 40 EDAB COc1cc(C(=O)OCC(=O)NC(=O)C(C)C)cc(OC)c1OC 3272503 RPOFXLKDYCVUID-UHFFFAOYSA-N 339.344 1.168 0 40 EDAB Cc1ccc(CN(C(=O)c2cnc3nc(O)[nH]c(=O)c3c2)C(C)C)o1 56093163 DTDJBBUGERSUFZ-UHFFFAOYSA-N 342.355 1.976 0 40 EDAB COc1ccc(OC)c2c1CN(Cc1nnnn1C1CC1)C[C@H]2O 26162439 NWDWFEFBKITAJB-GFCCVEGCSA-N 331.376 1.074 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 108060605 XHFSHZHNQHVJFC-AJNGGQMLSA-N 328.478 1.743 0 40 EDAB COC(=O)N1CCC(NS(=O)(=O)c2ccc(OC)cc2)CC1 57484689 QDDYEUBZDMKMIW-UHFFFAOYSA-N 328.390 1.204 0 40 EDAB CN(C)CCOc1cc(C(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)ccn1 108465411 RALCXPZSEAUFMJ-DLBZAZTESA-N 346.475 1.578 0 40 EDAB C[C@@H](CCNC(=O)N1CCCN(c2ccccn2)CC1)[S@@](C)=O 108500251 DJTHWTKNPRBROO-PSLXWICFSA-N 338.477 1.460 0 40 EDAB Cc1ccc(F)c2c1N(C(=O)CN1C(=O)NC(C)(C)C1=O)CCC2 66787320 MPXIZHSBSYNUNX-UHFFFAOYSA-N 333.363 1.744 0 40 EDAB Cc1noc(C)c1COC(=O)CCc1ccc(S(N)(=O)=O)cc1 24242095 KLRLEKSGYPBSED-UHFFFAOYSA-N 338.385 1.615 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 89904455 AZKZVGBPKHOHFI-TZMCWYRMSA-N 348.838 1.898 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCCO2 44720012 NHYAFIPOIHYOSY-NSHDSACASA-N 325.386 1.012 0 40 EDAB COCCCNS(=O)(=O)c1ccc(Br)c(OC)c1 27530755 VCTJCEBCFHUPMV-UHFFFAOYSA-N 338.223 1.773 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)C[C@@H]1N1CCOCC1 76056942 BVNMLPXPCJUPMJ-HOCLYGCPSA-N 344.415 1.317 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CCC(=O)NC1 48049400 WMEGTAUAYMMCPC-JSGCOSHPSA-N 327.388 1.313 0 40 EDAB Cc1nn(CC(=O)N2CCC(N(C)C)CC2)c(=O)c2ccccc12 44935013 ORDBFVYBLNCRPH-UHFFFAOYSA-N 328.416 1.258 0 40 EDAB CO[C@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 44967896 HKOJVDRHHDBVJZ-MRXNPFEDSA-N 341.415 1.696 0 40 EDAB CN1CCC(NC(=O)NCCc2cnn(-c3ccccc3)c2)CC1 44949943 ZJDPMVSGNJCARE-UHFFFAOYSA-N 327.432 1.808 0 40 EDAB CC(C)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N(C)C 44943847 DESZMRGFHMZQCR-CQSZACIVSA-N 340.445 1.323 0 40 EDAB COc1ccc(Br)c(C(=O)N2CCC(C(N)=O)CC2)c1 3356240 APRZVZMNIGYHPC-UHFFFAOYSA-N 341.205 1.795 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 3306259 QTMDBZSXBAOBSP-UHFFFAOYSA-N 327.384 1.681 0 40 EDAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)n1 76060275 AZLISQXJVPCZAV-CYBMUJFWSA-N 344.419 1.118 0 40 EDAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(CC(=O)N(C)C)CC1 28729712 XOIPJXALTSXHTP-AWEZNQCLSA-N 342.443 1.445 0 40 EDAB CN(Cn1nc(-c2ccccc2)[nH]c1=S)[C@H]1CCS(=O)(=O)C1 12792360 FSKMHHGKMPQXQY-LBPRGKRZSA-N 338.458 1.684 0 40 EDAB CC(=O)c1csc(NC(=O)c2nn(C)c(=O)c3ccccc23)n1 12700931 JUCIXXSEUZZTKG-UHFFFAOYSA-N 328.353 1.845 0 40 EDAB Cc1nc(CN2CCC[C@@H](NCC(=O)NCc3cccs3)C2)no1 69653079 LWJQUSZRRIOUKX-CYBMUJFWSA-N 349.460 1.310 0 40 EDAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@H](n2ccnc2)C1 69662392 BZRYJGLSSBLGLP-CVEARBPZSA-N 340.431 1.753 0 40 EDAB COC[C@@H](C)N1CCN(C(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)CC1 69846630 VKRXLZOCWSVWBY-GDBMZVCRSA-N 348.443 1.836 0 40 EDAB Cc1c(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cccc1OC(F)F 69808853 BZHGHGRMNBCFBZ-SECBINFHSA-N 334.344 1.905 0 40 EDAB CN(Cc1ccsc1)C(=O)CN[C@@H]1CCCN(c2cccnn2)C1 69810601 KYHHGSKUEILXGX-OAHLLOKOSA-N 345.472 1.755 0 40 EDAB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)cc1 4315040 CUHUOMQGUIHOSY-CQSZACIVSA-N 336.413 1.678 0 40 EDAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccncc2)CC1 65400253 PGTRXFKAXVVMMK-MRXNPFEDSA-N 345.447 1.139 0 40 EDAB COC[C@H](C)NC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 65443644 UQXNWJNQIPVOHX-AWEZNQCLSA-N 349.431 1.320 0 40 EDAB O=C(COc1ccccc1)N1CCC2(CC1)NCCc1nc[nH]c12 8743449 SCCBVASPXPIJQO-UHFFFAOYSA-N 326.400 1.452 0 40 EDAB CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 14139410 JXFJZYOQUQKSKC-QGZVFWFLSA-N 339.395 1.398 0 40 EDAB COc1ccc(OC[C@H](O)Cn2cnc3cc(F)ccc3c2=O)cc1 14123001 BMHFZHVPLPFHKK-CYBMUJFWSA-N 344.342 1.984 0 40 EDAB CCCn1c(CN2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 5893794 QEERIOOEVBFZRX-STQMWFEESA-N 347.463 1.322 0 40 EDAB Cc1cccc(NC(=O)C[C@H](NCCCN2CCOCC2)C(=O)O)c1 22996919 WAKQTQWCGBBHGF-INIZCTEOSA-N 349.431 1.089 0 40 EDAB COc1ccccc1OCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 6993111 DFLBDGAJLRHPCT-UHFFFAOYSA-N 347.371 1.360 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 15303010 FXVIWTDWRWPQDG-OAHLLOKOSA-N 342.399 1.560 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)N1CCC(CO)CC1 67316428 KOHOFOKIIGEQNY-UHFFFAOYSA-N 348.371 1.919 0 40 EDAB O=C(NC[C@]1(O)CCSC1)[C@@H]1CCCN1C(=O)Cc1ccccc1 82967257 NRZVPDHPXPGPTM-MAUKXSAKSA-N 348.468 1.204 0 40 EDAB C[C@@H]1CN(c2ccc(NC(=O)NCc3nc[nH]n3)cc2F)C[C@@H](C)O1 69349155 LWWZAKOMVFHDOB-GHMZBOCLSA-N 348.382 1.879 0 40 EDAB Cc1noc([C@@H]2COCCN2c2ncnc3c2cnn3C(C)(C)C)n1 96011357 UNBDJSUVRUVXTM-LBPRGKRZSA-N 343.391 1.851 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCCc1ccccn1 96257570 SNWBYTIYWAHQAC-NNSJBKGDSA-N 333.457 1.998 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N[C@H]1CCC[C@H]1n1ccnc1 71795576 QLKSULMIZAQQNY-LSDHHAIUSA-N 339.461 1.840 0 40 EDAB CC1CCN(C(=O)Cn2cc(C(=O)C(N)=O)c3ccccc32)CC1 408565234 BKKFDTYCXJEHMV-UHFFFAOYSA-N 327.384 1.568 0 40 EDAB Cc1c(C(=O)N2CCCN(CC(N)=O)CC2)oc2c(F)cccc12 71829371 XBLCVIOYDARUPQ-UHFFFAOYSA-N 333.363 1.514 0 40 EDAB CCc1ncc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)s1 71841485 YRHSDUKDCXWOFG-NSHDSACASA-N 335.404 1.919 0 40 EDAB CC(C)C[C@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(F)cc2)C1=O 71855251 IUBQDZGUZWLADX-DYVFJYSZSA-N 338.379 1.922 0 40 EDAB Cc1ccc(N2CCC[C@@H](NCc3ccc(C(N)=O)cc3)C2)nn1 71859779 ZKBUWNYRJMUPKE-MRXNPFEDSA-N 325.416 1.643 0 40 EDAB CCO[C@H]1C[C@H]1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 71800801 RFCDMZDUWJVDKF-CJNGLKHVSA-N 329.400 1.918 0 40 EDAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H](c2ccn[nH]2)C1 72282766 QOEHMELVAKNYEA-CABCVRRESA-N 340.431 1.822 0 40 EDAB CCn1ncc(C(=O)N2CCC[C@@H](n3cncn3)C2)c1C(F)(F)F 72235045 MKOUDBDYERGOSW-SNVBAGLBSA-N 342.325 1.991 0 40 EDAB O=C(CCc1ccc(F)c(F)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269619 DDDYENDPVADSTP-DLBZAZTESA-N 338.398 1.955 0 40 EDAB CN(CC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)Cc1ccccc1 72269422 LDNPVVFNWOHNKU-MSOLQXFVSA-N 331.460 1.176 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3ccc(N(C)C)nn3)C2)n1 72253249 BRIGYQQBFCCZML-ZDUSSCGKSA-N 329.408 1.228 0 40 EDAB Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCN(C)CC1)CC2 84286948 WMEUPZYCHMPNBV-NSHDSACASA-N 342.365 1.683 0 40 EDAB Cc1ccccc1C1(O)CCN(CC(=O)Nc2nncs2)CC1 72795079 PJSXODSWAARLDM-UHFFFAOYSA-N 332.429 1.769 0 40 EDAB C[C@H](NC(=O)COC[C@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2 84651732 OBMIZAMFXADNKC-SWLSCSKDSA-N 332.400 1.944 0 40 EDAB COc1ccc2cc(NC(=O)[C@H](C)N3CCN(C)CC3)ccc2n1 95395870 XLOHXTPAWYDKBX-ZDUSSCGKSA-N 328.416 1.818 0 40 EDAB COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1c(C)nn(C)c1C 95438447 UATZZXNCYLSPQP-AWEZNQCLSA-N 333.363 1.690 0 40 EDAB COc1ccc(-c2noc(CCCC(=O)NC[C@@H](C)CO)n2)cc1 95431055 HBJGAXLJCMSVNY-GFCCVEGCSA-N 333.388 1.813 0 40 EDAB CC(C)n1cc(S(=O)(=O)N2C[C@H](C(=O)O)c3ccccc32)cn1 95962311 ZGTLJXASVJWLJN-ZDUSSCGKSA-N 335.385 1.841 0 40 EDAB O=C(CNC(=O)c1cc2ccccc2[nH]1)NCc1cn2ccccc2n1 95962063 IJYCZWDVYKDCLX-UHFFFAOYSA-N 347.378 1.862 0 40 EDAB COc1cccc(-n2nc(C)c([C@H]3COCCN3CC(N)=O)c2C)c1 95999877 UQNLBMQSUNEZFU-MRXNPFEDSA-N 344.415 1.356 0 40 EDAB CC1CCC(N(C[C@H]2CCCO2)C(=O)N[C@H]2CCN(C)C2=O)CC1 74376427 MGUZOCKGKUAROP-FJBKBRRZSA-N 337.464 1.986 0 40 EDAB CCCCN(C(=O)c1ccc(C)[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 75118201 UPORDBIIWBBDPX-GFCCVEGCSA-N 326.418 1.113 0 40 EDAB Cc1nnc(CN(C)[C@@H]2CCN(CCOc3ccccc3F)C2)n1C 89736008 ZELPXDOUSHKCNV-OAHLLOKOSA-N 347.438 1.848 0 40 EDAB O=C(NCCCc1cccc(F)c1)NC[C@H]1CCS(=O)(=O)C1 69059975 DOELBKIBSJTSMN-CYBMUJFWSA-N 328.409 1.492 0 40 EDAB CCN(CC(=O)NCC(C)C)S(=O)(=O)c1cc(C)ccc1OC 39985466 NSJDTXMDUQFFFO-UHFFFAOYSA-N 342.461 1.786 0 40 EDAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 218361030 ALTLFUHJDWQDSJ-IRXDYDNUSA-N 330.453 1.839 0 40 EDAB 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EDAB Cc1ccc(Cl)cc1NC(=O)C[C@H]1SC[C@@H](C(=O)O)NC1=O 13636938 CDRJXXJUFITDOF-WDEREUQCSA-N 342.804 1.662 0 40 EDAB COc1ccc(C(=O)N2CCN(c3nccn3C)CC2)c(OC)c1 13693483 LTOSGUFXDYNCCR-UHFFFAOYSA-N 330.388 1.400 0 40 EDAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(C3CCCCC3)C2=O)C1 14607399 FSAZJGLRHHTZQE-DZGCQCFKSA-N 336.432 1.722 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@@H](C(=O)N3CCCCC3)C2)cs1 19747280 OLKLDFCJWLOFIM-CQSZACIVSA-N 337.445 1.234 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 5603671 RTOVXOVHBQVBMI-FNORWQNLSA-N 346.364 1.715 0 40 EDAB COc1cncc(O[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)n1 225394354 LSBPERWUCQEWLX-LLVKDONJSA-N 330.344 1.644 0 40 EDAB O=C(C1CC1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225819634 GUKQGQDXKPYERF-UHFFFAOYSA-N 327.384 1.856 0 40 EDAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3snnc3C)C2)n1 585147421 XOLVSNQJYRQBBZ-LBPRGKRZSA-N 333.417 1.937 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 6938282 DPYXORASKOEEID-KRWDZBQOSA-N 343.427 1.034 0 40 EDAB 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POCIRFNSLHCIME-INIZCTEOSA-N 327.384 1.663 0 40 EDAB O=c1n(CCOn2nnc3ccc(Cl)cc32)nc2ccccn12 32823981 GUAYWKUAYSPKCZ-UHFFFAOYSA-N 330.735 1.023 0 40 EDAB O=C(COc1ccccc1Cl)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 8291102 WYLMTCQARXJLJD-GFCCVEGCSA-N 343.832 1.897 0 40 EDAB Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)CCC3)c(=O)c1C(N)=O 32859751 CHKRFOVSQMTVJZ-UHFFFAOYSA-N 339.395 1.691 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 107721712 AKGGRZPQLSUKCB-ULQDDVLXSA-N 340.383 1.460 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2n1CCOC 8725364 NIPRUHMGRAYQON-SNVBAGLBSA-N 336.417 1.619 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 57279940 NSZKDHWCZPMSHH-UHFFFAOYSA-N 326.418 1.621 0 40 EDAB O=c1/c(=C/c2cccnc2)sc2n1CN(c1ccc(F)cc1)CN=2 521047 HVNGFSVTLRRPJF-NVNXTCNLSA-N 340.383 1.328 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)NCCNc1ncccn1 47057340 YAQJQMGZKLEPJC-CYBMUJFWSA-N 343.387 1.370 0 40 EDAB CCOC(=O)[C@H](C(=O)CSc1nncn1C)c1nc(C)cs1 103034703 ITPJWVPXFPOSOQ-SNVBAGLBSA-N 340.430 1.588 0 40 EDAB CS(=O)(=O)c1cccc(OCC(=O)N2CCO[C@H]3CCC[C@@H]32)c1 53386139 LFAHERHREMOBHU-GJZGRUSLSA-N 339.413 1.249 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NCc1ccccc1 2929321 CTTLCPDKTSILCW-UHFFFAOYSA-N 337.401 1.228 0 40 EDAB CC(C)[C@@H](NC(N)=O)C(=O)NCCOc1cccc2c1OC(C)(C)C2 47688700 OXRNVTKXWYGNJM-CQSZACIVSA-N 349.431 1.588 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1nnc(-c2ccccc2)o1 22719330 XZRCDJAVEAMMBS-OAHLLOKOSA-N 330.369 1.664 0 40 EDAB O=C(CNc1cccc(-c2nnnn2C2CC2)c1)NCc1ccco1 12527174 VJRZMSZSSGTFAI-UHFFFAOYSA-N 338.371 1.996 0 40 EDAB O=C1NC(=O)[C@@H](CCC(=O)OCc2csc(-c3ccccc3)n2)N1 23192202 LCMBJPONNMZMLR-GFCCVEGCSA-N 345.380 1.842 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1 23157151 SRTOZVVDLDFXGR-CYBMUJFWSA-N 329.360 1.078 0 40 EDAB Cc1noc(COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)n1 23372669 RVUYPVWKIINOEO-UHFFFAOYSA-N 332.312 1.856 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 23042750 JXVKRLUKFLSOFI-ZDUSSCGKSA-N 326.418 1.282 0 40 EDAB CCOc1cccc(N2CCN(C(=O)NC[C@H]3CCCN3C)CC2)n1 106546046 YHEYMVSUYTXXJL-OAHLLOKOSA-N 347.463 1.406 0 40 EDAB CC1CCN(CC(=O)Nc2nn(-c3ccccc3)nc2C(N)=O)CC1 1425527 VECJIOHUSTYUAA-UHFFFAOYSA-N 342.403 1.037 0 40 EDAB O=C(Cc1cccc(F)c1)NCc1ccnc(N2CCOCC2)c1 25289714 UKYZPKLNIGLZTL-UHFFFAOYSA-N 329.375 1.916 0 40 EDAB CCCNC(=O)NC(=O)CNc1ccccc1N1CCC(O)CC1 55888119 WCKONPHUVGALJA-UHFFFAOYSA-N 334.420 1.295 0 40 EDAB Cn1nc2n(c1=O)CCN(Cc1ccc(CSC(F)F)o1)C2 91966182 ZHPMYQLIHKSFMG-UHFFFAOYSA-N 330.360 1.646 0 40 EDAB Cc1ccc(NC(=O)CNS(C)(=O)=O)c(OCC(F)(F)F)c1 57048855 HCYMNOWBYCYQGR-UHFFFAOYSA-N 340.323 1.424 0 40 EDAB COc1ccc(CCNC(=O)N2CCC(C(N)=O)CC2)cc1OC 26519372 YWQLSMHBMHVPTA-UHFFFAOYSA-N 335.404 1.153 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H]1Cc2ccccc21 108456507 HIJXDLWHDORTSK-LGEZUQEUSA-N 336.391 1.250 0 40 EDAB O=C(O)c1sccc1S(=O)(=O)NC[C@@H](O)c1ccccc1 35600733 NAPNDZBRGBTPMO-SNVBAGLBSA-N 327.383 1.458 0 40 EDAB in-vitro O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(F)cc1 3374430 PXKKROASACKWOP-GFCCVEGCSA-N 337.376 1.485 0 40 EDAB COC(=O)c1sc2[nH]c(CNCc3ccco3)nc(=O)c2c1C 57884644 PRCHSMJYRAOVJV-UHFFFAOYSA-N 333.369 1.962 0 40 EDAB CC(C)n1cc(CN2CCn3cc(C(=O)N(C)C)nc3[C@@H]2C)cn1 306141076 VKRVZVJLYTVWRG-ZDUSSCGKSA-N 330.436 1.939 0 40 EDAB CCc1nc2ccccc2n1CC(=O)NC[C@H]1CCS(=O)(=O)C1 44720277 ARLLBOYJWTWXCZ-GFCCVEGCSA-N 335.429 1.150 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 44741105 JBFBLHDGAIORLG-IEBWSBKVSA-N 345.487 1.739 0 40 EDAB C[C@H](O)CN(CC(=O)NC(=O)NCc1cccs1)c1ccccc1 58180107 ZZNVAVVCCPBHFP-ZDUSSCGKSA-N 347.440 1.961 0 40 EDAB Cn1cnnc1CNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 58214552 MFHHIIYAIGUJEM-NEPJUHHUSA-N 335.205 1.998 0 40 EDAB COc1c(CNCCNC(=O)Cc2cccc(F)c2)c(C)nn1C 58344960 GEEDVUTYLFXZOD-UHFFFAOYSA-N 334.395 1.325 0 40 EDAB CCCS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2cccc(OC)c2)C1 58306332 DDROECAFKPYIBV-CYBMUJFWSA-N 341.433 1.631 0 40 EDAB O=C(CC(F)(F)F)NCCC(=O)N1CCN(c2ccccn2)CC1 58391539 LPULAXAPCHHGAR-UHFFFAOYSA-N 344.337 1.189 0 40 EDAB O=C(CSc1ncn[nH]1)NCc1ccc(OC2CCCC2)nc1 58391422 IUBFZSSNRULJBC-UHFFFAOYSA-N 333.417 1.930 0 40 EDAB CC(=O)Nc1cccc(NC(=O)C2(n3cnnn3)CCCCC2)c1 36359753 DHRKFLXJDMMVLB-UHFFFAOYSA-N 328.376 1.930 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)c1cc(S(=O)(=O)NC)ccc1C 48324813 JRUWPJFBNHYTFJ-ZDUSSCGKSA-N 340.445 1.402 0 40 EDAB Cc1csc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 48375384 GHKZCNREBYVQBA-UHFFFAOYSA-N 326.399 1.701 0 40 EDAB COc1ccc(CN(C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1F 45654099 KDAZOSQEDGBTEY-GFCCVEGCSA-N 344.408 1.410 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 8263580 WFCRTMGLWUCPJE-SFHVURJKSA-N 327.384 1.686 0 40 EDAB O=C(Nc1ccccn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 70009950 VSTVMGRTZPEDMD-MRXNPFEDSA-N 326.400 1.965 0 40 EDAB C[C@@H](C(=O)NCc1cccs1)N1CCN(Cc2nccn2C)CC1 69350951 HSIWRWYBEVKISA-AWEZNQCLSA-N 347.488 1.304 0 40 EDAB O=C1COc2ccc(C(=O)Cn3cnc4ccsc4c3=O)cc2N1 13001811 XQZXBTHDTRNCLZ-UHFFFAOYSA-N 341.348 1.672 0 40 EDAB CN1CCN(C(=O)C2(NC(=O)Cc3ccc(F)cc3)CCCC2)CC1 69351586 DOHKIBOBKUDTNY-UHFFFAOYSA-N 347.434 1.571 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@H](n2cccn2)C1 69351975 HCJVAZQXALQPHQ-ZDUSSCGKSA-N 337.383 1.526 0 40 EDAB CCn1cnnc1C1CCN(C(=O)Cn2nnc3ccccc32)CC1 69416788 OCMRSEMAOLLAPJ-UHFFFAOYSA-N 339.403 1.449 0 40 EDAB O[C@@H](CN1CCO[C@@H](Cn2cccn2)C1)c1ccc2c(c1)OCCO2 69453198 NTLLCMLVWJTVQV-CVEARBPZSA-N 345.399 1.089 0 40 EDAB C[C@H](c1ccccc1F)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 69592018 YZOSBFQAQDBNIM-CYBMUJFWSA-N 347.390 1.180 0 40 EDAB CCS(=O)(=O)NCCNC(=O)N[C@@H]1CCCCc2ccccc21 69509546 WJXYYURVGFGWHN-OAHLLOKOSA-N 339.461 1.693 0 40 EDAB COc1ccccc1OCCNC(=O)CN1CCc2cncnc2C1 69570270 RZHLIONXRMELQD-UHFFFAOYSA-N 342.399 1.039 0 40 EDAB COC(=O)c1cc(Cl)c(NC(=O)N2CC[C@H](O)C2)cc1OC 65577530 WXXISOBGEKYKFL-QMMMGPOBSA-N 328.752 1.734 0 40 EDAB COc1ccc(OCCCNC(=O)NCC(=O)NCC(C)C)cc1 65522827 NXXMDVKXHNINFG-UHFFFAOYSA-N 337.420 1.536 0 40 EDAB COCCS(=O)(=O)c1ccc(C(=O)N2CCOC(C)(C)C2)cc1 65613122 XJCXHUIGIGRMLC-UHFFFAOYSA-N 341.429 1.358 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)CNC(=O)COc1ccccc1 14242723 RDYWWEUERLWBKN-UHFFFAOYSA-N 330.359 1.979 0 40 EDAB Cn1nnnc1SCC(=O)N1c2ccccc2NC(=O)C1(C)C 6551795 FSPPLKGHOICTFI-UHFFFAOYSA-N 332.389 1.066 0 40 EDAB CN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O 8947018 KNIFIHCYFYJOMC-GOSISDBHSA-N 331.416 1.839 0 40 EDAB C[C@H](OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)NC(C)(C)C 14803508 ZFYFCUQZLFECFV-LBPRGKRZSA-N 335.404 1.378 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2sccc2C2CC2)C1 67163434 PFKVEVKXIBPAGI-NSHDSACASA-N 328.459 1.779 0 40 EDAB Cc1cc(S(=O)(=O)NCCN[C@H](C)c2cnccn2)c(C)s1 90580308 FEZHOJIFNZKETE-LLVKDONJSA-N 340.474 1.784 0 40 EDAB O=C1NCCCC[C@@H]1NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 68106937 OXPXDKSMHCSCSQ-GTNSWQLSSA-N 345.424 1.400 0 40 EDAB O=C(Cn1nc(-c2ccco2)ccc1=O)N=c1[nH]c2ccccc2[nH]1 71288863 POLDJFZVVZIPRO-UHFFFAOYSA-N 335.323 1.440 0 40 EDAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@@H]1CCCO1 9722393 LLZXBDSFGNUVHP-ZDUSSCGKSA-N 343.379 1.956 0 40 EDAB CCOC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1N 19796917 MXODOUIBEVQVEN-UHFFFAOYSA-N 341.415 1.558 0 40 EDAB O=C1CCC(=O)N1CCN1C(=O)S[C@H](Nc2ccccc2)C1=O 9338843 FLPWBBSIQKKRRF-ZDUSSCGKSA-N 333.369 1.269 0 40 EDAB COc1c([C@H]2CCCN2c2ncnc3c2cnn3C)c(C)nn1C 84012462 MNCQDJSTLNKIQT-GFCCVEGCSA-N 327.392 1.755 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N[C@H]1CCC[C@@H]1n1ccnc1 71795577 QLKSULMIZAQQNY-GJZGRUSLSA-N 339.461 1.840 0 40 EDAB C[C@H](NC(=O)CN1CCCCCC1=O)c1nnc2n1CCCCC2 89913885 PSQROXFRTQLYGE-ZDUSSCGKSA-N 333.436 1.584 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)CN1C1CC1 84136562 WQYQQOXIZMDSIV-DGCLKSJQSA-N 330.388 1.621 0 40 EDAB CCCN1CCC[C@@H]1C(=O)N1CCC(c2nnc3n2CCC3)CC1 71850962 VIFBXZUPNWWHNO-OAHLLOKOSA-N 331.464 1.805 0 40 EDAB Cc1ccc(NC2CCN(C(=O)CCCn3cccn3)CC2)nn1 71863602 JINXNJHCDACQBE-UHFFFAOYSA-N 328.420 1.865 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)Cc2ccccc2Br)CC1 71871527 DCJWPPLDKKFLST-GFCCVEGCSA-N 341.249 1.517 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](O)C1)N1CCN(c2ccc(F)cc2)CC1 71897834 IDRXRLNFZQYVSJ-PBHICJAKSA-N 335.423 1.320 0 40 EDAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCC2(C1)OCCO2 71920200 BJRBEGIMLRPCSW-UHFFFAOYSA-N 345.399 1.868 0 40 EDAB O=C(CNC(=O)NC[C@H]1C[C@@]12CCc1ccccc12)NCC1CC1 97048281 RVEXOTVMYQOZBE-BEFAXECRSA-N 327.428 1.716 0 40 EDAB Cc1cc(NC(=O)CN2CCN(c3noc(C(C)(C)C)n3)CC2)no1 97059083 DFABFWVJXAFTKZ-UHFFFAOYSA-N 348.407 1.424 0 40 EDAB NC(=O)c1cc(Cl)nnc1N[C@H]1CCCN(c2ncccn2)C1 72275444 PVWCQPDEBBRRDE-VIFPVBQESA-N 333.783 1.100 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCc2nnc(NCC)cc2C1 72279574 VDKJPUXVUYASCS-NSHDSACASA-N 340.449 1.006 0 40 EDAB Cc1n[nH]c2ncc(C(=O)N3CCN(C[C@@H](O)C(C)(C)C)CC3)cc12 72279655 SKYMLMJTEZCXCH-OAHLLOKOSA-N 345.447 1.431 0 40 EDAB C[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 72280784 KPAPDECTOJCDTM-CYBMUJFWSA-N 339.395 1.719 0 40 EDAB CCn1cc(C(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cn1 97164214 XCKINNIYVHWYRY-ZDUSSCGKSA-N 335.429 1.804 0 40 EDAB CCN(C)[C@@H](C(=O)N1CCO[C@H](c2nc(C)n[nH]2)C1)c1ccccc1 76046694 BNHFAIVKDDHYRC-JKSUJKDBSA-N 343.431 1.706 0 40 EDAB COc1ccccc1C(=O)N1CCN(C(=O)c2cccnc2C)CC1 95394037 QFFSSBCIYDZDGY-UHFFFAOYSA-N 339.395 1.997 0 40 EDAB C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@@H]1N(C)C 84714328 NCCZVXLZODZZGP-JQWIXIFHSA-N 342.237 1.019 0 40 EDAB CCc1nncn1CCNC(=O)NC1CCN(CC2CCCC2)CC1 95404535 MCSRSFJCFZGWNA-UHFFFAOYSA-N 348.495 1.794 0 40 EDAB CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)NCc1nnc2n1CCC2 95419112 KSYRVNNBFYGQNF-CHWSQXEVSA-N 335.452 1.959 0 40 EDAB CCNC(=O)Cn1ccc(NC(=O)N[C@H]2CCc3ccccc32)n1 95403993 PYAWITTZTUIBOR-AWEZNQCLSA-N 327.388 1.828 0 40 EDAB CN1CCO[C@@H](CN(C(=O)CCc2cnn(C)c2)c2nccs2)C1 95402126 FLIKXGOPKWUBPS-CQSZACIVSA-N 349.460 1.173 0 40 EDAB CN1CCC(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)CC1 95414317 DLABCRNZUWLPOR-RTBURBONSA-N 343.471 1.440 0 40 EDAB Cc1ccc(CCC(=O)NCC(=O)NC2CCC(C(=O)O)CC2)cc1 95425230 MVLZFONCSLFQDX-UHFFFAOYSA-N 346.427 1.803 0 40 EDAB Cc1cnn(Cc2cc(C(=O)N[C@H]3COc4ccccc4C3)no2)c1 95439350 FLAQYZWPEUJWHY-CQSZACIVSA-N 338.367 1.961 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@@]2(C)CCc3ccccc3C2)co1 95439591 IOFYCWQXNWPUTJ-KRWDZBQOSA-N 348.424 1.865 0 40 EDAB Cc1cc(C(=O)N2CCN([C@@H]3CCCN(C(C)C)C3=O)CC2)on1 95963676 ONGOLKAUJGUBFE-CQSZACIVSA-N 334.420 1.140 0 40 EDAB O=C(c1ccccc1)N1CC(S(=O)(=O)NCc2cccnc2)C1 95999798 QNYIZBMLLAGZIP-UHFFFAOYSA-N 331.397 1.026 0 40 EDAB O=C(Nc1cccc(C(=O)OC[C@H]2CCCN2)c1)c1cc[n+]([O-])cc1 95971583 DHZZKWIPDPUKSM-MRXNPFEDSA-N 341.367 1.481 0 40 EDAB Cc1ccc([C@@H]2CN(C(=O)NCCc3cnn(C)c3C)CCO2)o1 95974309 JEOQYRWSKFWLGP-INIZCTEOSA-N 332.404 1.956 0 40 EDAB Cc1nc(-c2cccs2)ccc1C(=O)N1CCN(CCO)CC1 89537066 SXKOAVBOYAUHIU-UHFFFAOYSA-N 331.441 1.869 0 40 EDAB COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1ccnn1C 89741099 ZVEDILOGXQMQIO-CYBMUJFWSA-N 341.289 1.824 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(-n2nnnc2C)cc1 61718258 ZMPCHRAYDSQBOL-UHFFFAOYSA-N 334.361 1.376 0 40 EDAB COC[C@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 408630269 QVAGEVXSAIRAGK-JTQLQIEISA-N 348.852 1.566 0 40 EDAB Cc1cc(=O)c(C(=O)NC[C@H]2CCOC2)nn1-c1ccc(Cl)cc1 41373146 XEEBRLKKLIELAA-GFCCVEGCSA-N 347.802 1.961 0 40 EDAB Cc1ccc(CN2CCC[C@H](S(N)(=O)=O)C2)c(-c2cnn(C)c2)c1 514801240 OORHSEADZCNBBZ-INIZCTEOSA-N 348.472 1.648 0 40 EDAB C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](CC(=O)O)c1cccc(Cl)c1 519598939 BBHAZHDEZWOWLX-ZWKOPEQDSA-N 347.820 1.953 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)NCc2ncc(-c3ccccc3)o2)C1 519593366 NEARPMDIAAASAX-AWEZNQCLSA-N 328.372 1.762 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2Cl)s1 36182608 YTVOMODEZSFTML-UHFFFAOYSA-N 346.821 1.628 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)Nc1cc(Cl)ccc1O 32103304 JYNQRUAMZDHSGK-UHFFFAOYSA-N 330.731 1.789 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCCCC2)cc1 69970314 FLPWOMGUFSNKHM-OAHLLOKOSA-N 348.399 1.469 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCN(CC(F)(F)C(F)F)CC1 79311858 QPWMXZOZNVOGQB-UHFFFAOYSA-N 349.394 1.481 0 40 EDAB Cc1nc(NCC[S@@](C)=O)cc([C@H]2CN(C(C)C)CCO2)n1 72387928 PRAFRQOIYXTXTC-PEBXRYMYSA-N 326.466 1.357 0 40 EDAB O=C(c1ccco1)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O 72325114 SCXQHGAFCQSNNU-LLVKDONJSA-N 345.384 1.388 0 40 EDAB O=C(NCc1nncn1C1CC1)[C@@H]1CCCCN1Cc1cccnc1 73111480 DVULCWHVAPILGL-INIZCTEOSA-N 340.431 1.679 0 40 EDAB CC(C)c1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1Cl 189404485 QQPWHGRIYBABKO-AWEZNQCLSA-N 340.851 1.886 0 40 EDAB N[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218643921 UDJUFVUGHYDEHN-OFQRWUPVSA-N 335.356 1.548 0 40 EDAB COc1ccc2nnc(CCCC(=O)N[C@@H]3CCOC(C)(C)C3)n2n1 72404586 DFACPZFPQBNFEL-GFCCVEGCSA-N 347.419 1.529 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C1(CN)CN 218203458 ABGLCWRBJCVMQR-VXGBXAGGSA-N 347.278 1.253 0 40 EDAB Cc1c(C(=O)N(C)C[C@@]2(C)CCN(C)C2)cnn1-c1ccccn1 71754499 XTDMBLILYBAGFV-SFHVURJKSA-N 327.432 1.990 0 40 EDAB O=C(NCCCn1ccnc1)[C@@H]1CCC(=O)N1Cc1cccs1 72239751 RVFWOEAPFKHERE-AWEZNQCLSA-N 332.429 1.642 0 40 EDAB O=C(NCCCN1CCN(c2ccccc2F)CC1)C1(O)CCC1 195567423 FCYKHOQFPIQIGD-UHFFFAOYSA-N 335.423 1.369 0 40 EDAB O=C(NCCc1cn2ccccc2n1)NCCN1CCCCCC1=O 61659990 QVRTZZLXEQIBFT-UHFFFAOYSA-N 343.431 1.579 0 40 EDAB Cc1ccc(Cc2nnn(C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)n2)cc1 225709377 NYGYJILUMAUZRS-BFYDXBDKSA-N 345.447 1.042 0 40 EDAB Nc1ccc(S(=O)(=O)Nc2c(C(=O)O)nc3ccccn23)cc1 45067938 GPTDRWJUFNNWCG-UHFFFAOYSA-N 332.341 1.416 0 40 EDAB Cc1cncc(NC(=O)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)c1 131300239 CTSUAOCZVHBWKV-CQSZACIVSA-N 327.388 1.598 0 40 EDAB O=C(NCC1(OCCO)CCOCC1)c1coc2ccc(F)cc12 574454704 JUSAOHBUCGEMKJ-UHFFFAOYSA-N 337.347 1.860 0 40 EDAB Cn1nccc1CN[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 190475282 UTLRFRPXPAXMLS-INIZCTEOSA-N 334.370 1.979 0 40 EDAB Cn1cc(CCCN2CCN(C(=O)c3cccc(O)c3)CC2)cn1 96452939 NPWBEAYQRJBLCN-UHFFFAOYSA-N 328.416 1.516 0 40 EDAB O=S1(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2Oc2ncccc21 514290162 TTZDBEAORHLQKM-KGLIPLIRSA-N 331.397 1.005 0 40 EDAB biogenic,in-vitro Cn1ccnc1CN1CC[C@@H]2[C@@H](CO[C@H]2CNC(=O)c2ccco2)C1 96185313 CEFWPGKFBMUOIU-FMKPAKJESA-N 344.415 1.280 0 40 EDAB CC[C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@@H]1N1CCOCC1 333210083 TVPWSWNFQXZFHP-CJNGLKHVSA-N 330.432 1.537 0 40 EDAB O=C(c1ccsc1)N1CCc2ncc(Cn3cncn3)n2CC1 96196996 WDCNQQDNZDJWRG-UHFFFAOYSA-N 328.401 1.283 0 40 EDAB COCCNC(=O)[C@H]1CN(Cc2csc(C)n2)C[C@H]2OCC[C@H]21 96041132 NKXULNFIZGJGBY-SOUVJXGZSA-N 339.461 1.051 0 40 EDAB Cn1cc(CN2CCO[C@@H]3CN(C(=O)C4=CCCC4)C[C@@H]3C2)cn1 96108121 QPLKSERQBCGBKR-DLBZAZTESA-N 330.432 1.190 0 40 EDAB Cc1cnc(N2CCO[C@@H]3[C@H](CNc4ncccn4)CC[C@H]32)nc1 96082578 AJPDZFZQEOINFJ-RRFJBIMHSA-N 326.404 1.671 0 40 EDAB c1csc(CNC[C@@H]2Cn3nnc(-c4cncnc4)c3CO2)c1 96199261 USHDFPCFVKGNNJ-GFCCVEGCSA-N 328.401 1.485 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2cccnc2)Cc2nccn2C1 96066838 DYTAIZDICLAWJN-INIZCTEOSA-N 343.431 1.015 0 40 EDAB CCS(=O)(=O)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 96042259 HORGEJSKBKPDQC-SOUVJXGZSA-N 326.418 1.180 0 40 EDAB O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1ccc2[nH]cnc2c1 96502631 JUCSAVYJBCKDPU-HNNXBMFYSA-N 335.367 1.883 0 40 EDAB CN(C)C(=O)CN1C(=O)CCC12CCN(Cc1cccs1)CC2 96228097 SLBDOWMASYYEMI-UHFFFAOYSA-N 335.473 1.793 0 40 EDAB CC1CCN(C(=O)[C@H]2C[C@@H]3CCN(CCN4CCCC4)C[C@H]3O2)CC1 96042771 JGRUGFOVNULHGV-IPMKNSEASA-N 349.519 1.820 0 40 EDAB Fc1cnc(N2CCO[C@@H]3[C@@H]2CC[C@H]3OCCCn2cccn2)nc1 96065842 QGYYSDCBMMGSAA-ARFHVFGLSA-N 347.394 1.655 0 40 EDAB COCC(=O)N1CCC2(CC1)CO[C@@H](COCc1ccccn1)C2 96106184 HVYAEOPSTQGBMR-MRXNPFEDSA-N 334.416 1.642 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@H]2[C@@H]1CC[C@@H]2COc1ncccn1 96250021 FAQNIWTXADGTDE-IJEWVQPXSA-N 342.399 1.514 0 40 EDAB COC(=O)[C@]1(O)[C@H](C(=O)C2CC2)[C@H](c2ccccc2)NC(=S)N1C 230022160 NJWNJQWKUCKLKF-GDZNZVCISA-N 348.424 1.005 0 40 EDAB O=C(NC[C@H]1CCCO1)C1=NO[C@@]2(CCN(Cc3cccnc3)C2)C1 247510968 SXSUUYVHKASKHN-QAPCUYQASA-N 344.415 1.098 0 40 EDAB Cc1cc2c(cc1S(=O)(=O)Nc1cccnc1C)OCC(=O)N2 252483251 DYAFPQWJSUAURC-UHFFFAOYSA-N 333.369 1.830 0 40 EDAB COCC(=O)N1CCC(c2nc(C)cc(N3C[C@H](C)OC3=O)n2)CC1 257207152 BGOMHJWXROTWSD-LBPRGKRZSA-N 348.403 1.483 0 40 EDAB CC(=O)N1CC[C@@H](Cc2cnc(-c3cncc(C(=O)O)c3)cn2)C1 257237103 HFENNVSOYKEJQP-LBPRGKRZSA-N 326.356 1.648 0 40 EDAB CNC(=O)[C@H]1CN(Cc2ccccc2OC(C)C)CCN1C(C)=O 257233585 GPUQVJQMRAJILZ-MRXNPFEDSA-N 333.432 1.253 0 40 EDAB CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cnc2sccc2c1 585114835 BVPIYYYFLAHQSS-LDYMZIIASA-N 332.472 1.687 0 40 EDAB c1cncc(COC[C@H]2CN([C@H]3CCOC3)Cc3ccnn3C2)c1 253588444 CPGHBHZXYMCMML-WMZOPIPTSA-N 328.416 1.716 0 40 EDAB CN(C)Cc1cnc(CC2CCN(Cc3nccn3C)CC2)cn1 257305170 SOSIOJGNVACGRN-UHFFFAOYSA-N 328.464 1.726 0 40 EDAB CCc1nccn1CCC(=O)N1CCO[C@H](c2cc(O)nc(C)n2)C1 257206343 BCXSJYJTUSFOMY-AWEZNQCLSA-N 345.403 1.240 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3sc(C)nc3C)CCO2)n1 257205624 AZXHMBJJAYRKCA-LBPRGKRZSA-N 334.401 1.778 0 40 EDAB COc1nc(C)ccc1C(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 263102655 UEHNQJWGIOTHMD-CYBMUJFWSA-N 332.278 1.878 0 40 EDAB COC[C@@]1(C(=O)OC(C)(C)C)CCCN1C(=O)[C@@H]1CCCCO1 600133089 JTWPYTSGDZOMAU-SUMWQHHRSA-N 327.421 1.905 0 40 EDAB COC(=O)[C@@H]1CCc2nnc(COc3ccccc3OC)n2CC1 601045577 YLWRONRQWRBKJU-GFCCVEGCSA-N 331.372 1.991 0 40 EDAB Cc1cc(NC(=O)NCCn2ncnn2)cnc1N1CCCC[C@@H]1C 390833197 DKUQBUFSOJNBSK-ZDUSSCGKSA-N 344.423 1.577 0 40 EDAB Cn1cc(-c2noc(CNC(=O)c3ccc4nsnc4c3)n2)cn1 390832079 XBTPSEQXSSMULY-UHFFFAOYSA-N 341.356 1.405 0 40 EDAB CCO[C@@H]1CCOC2(C1)CN(S(=O)(=O)c1ccc(C)cc1)C2 575403905 KPVBKRGTTQMVIV-CQSZACIVSA-N 325.430 1.954 0 40 EDAB O=C(c1ccccc1OC(F)F)N1CCC(N2CCNC2=O)CC1 55785865 LURBOLGWNPRYPK-UHFFFAOYSA-N 339.342 1.918 0 40 EDAB CCN(CC)C(=O)CNC(=O)[C@@H](c1ccccc1)N1CCSCC1 58418493 PNQBRRFYXKKGRO-QGZVFWFLSA-N 349.500 1.761 0 40 EDAB CCN(CC)[C@H](C(=O)OCC(=O)N[C@@H](C)COC)c1ccccc1 69662830 CSSWJHSCZWBRIN-YOEHRIQHSA-N 336.432 1.764 0 40 EDAB Cc1ccc(NCCNC(=O)c2ccn(-c3ccccc3F)n2)nn1 69921656 ICZCPHOUYKSHKP-UHFFFAOYSA-N 340.362 1.952 0 40 EDAB Cc1nnsc1C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1 96121917 LRSRBNPQVHCWNS-UHFFFAOYSA-N 329.447 1.418 0 40 EDAB Cc1c(Br)cccc1C(=O)N(C)CCNS(C)(=O)=O 80282408 MINLJFNNPQIEEZ-UHFFFAOYSA-N 349.250 1.379 0 40 EDAB CC1(NS(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CCC1 585115579 IUNRFIKGQRTBLD-GFCCVEGCSA-N 348.465 1.484 0 40 EDAB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NC(N)=O)o2)cc1 8101691 VMDPUEUNANXVAI-WQLSENKSSA-N 339.307 1.835 0 40 EDAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)N3CCC[C@H](C)C3)n2)c(C)o1 12183710 DRMWMWKDXHOGTR-NSHDSACASA-N 344.415 1.961 0 40 EDAB Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)s1 12367350 WHRMYTNCEVDRCV-LLVKDONJSA-N 347.444 1.951 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NCCCOCC(C)C)cc1 12922924 PCAYLSWIOXDMDF-UHFFFAOYSA-N 328.434 1.986 0 40 EDAB COc1ccc(-c2ccc(N3CCN(S(C)(=O)=O)CC3)nn2)cc1 13662606 LSPOKKGOEJEKCZ-UHFFFAOYSA-N 348.428 1.234 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)C)cc1C 16692188 GALDOKHQFJVXFJ-UHFFFAOYSA-N 328.434 1.539 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCN2c2ncccc21)NCc1ccccc1 19372670 YQHJACCSSVVNHG-MRXNPFEDSA-N 336.395 1.713 0 40 EDAB C[C@@H](C(=O)NCc1cc(=O)[nH]c(N2CCCC2)n1)c1ccccc1 19459433 IKSFFOCIDNWHSR-CYBMUJFWSA-N 326.400 1.790 0 40 EDAB COCCC(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 19593148 SGNPQNNPDIIIAF-CQSZACIVSA-N 328.372 1.532 0 40 EDAB C[C@]1(NC(=O)Nc2nc3ccccc3s2)CCS(=O)(=O)C1 151509176 OKLNOWZTZJUXHM-ZDUSSCGKSA-N 325.415 1.995 0 40 EDAB Cc1nc(C)n(CC(=O)NC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n1 643585244 YQNJBUMEXMTZSY-QGPMSJSTSA-N 344.415 1.230 0 40 EDAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)CC)CC2=O)cc1 9035941 LSBWNVFOAYWIRY-LBPRGKRZSA-N 326.418 1.378 0 40 EDAB COC1(Cc2nc(-c3cccc(N4CCN(C)CC4)n3)no2)CCC1 585084271 WDRDRMJRHKWFBS-UHFFFAOYSA-N 343.431 1.995 0 40 EDAB COc1ccc(OC)c(C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)c1 6112642 YCZVHGPVFGLNTR-UHFFFAOYSA-N 348.355 1.333 0 40 EDAB CSc1nc(N2CCN(S(C)(=O)=O)CC2)cc(C(C)(C)C)n1 1888866894 UOOSOPAHJKGMKL-UHFFFAOYSA-N 344.506 1.578 0 40 EDAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)Cn2cccn2)C3)nc1 1888870258 QZGFWYSADYQEFF-QAPCUYQASA-N 341.415 1.689 0 40 EDAB O=C([C@H]1CN(Cc2nnc(C(F)(F)F)o2)CCO1)N1CCCCC1 1888910388 VWSDHSPJDLRKLY-SNVBAGLBSA-N 348.325 1.302 0 40 EDAB CN(C)c1ccnc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)n1 1889085894 JCSQFNGBDFJGLB-UHFFFAOYSA-N 341.463 1.957 0 40 EDAB Cc1cc2ncnc(N3CCN(c4nccc(N(C)C)n4)CC3)c2[nH]1 1889148942 XGVJPDFCDHBLRS-UHFFFAOYSA-N 338.419 1.449 0 40 EDAB c1cnn(-c2ccc(N3CCN(c4nccn5nccc45)CC3)nn2)c1 1889205843 OYLLNKDERVCFQO-UHFFFAOYSA-N 347.386 1.032 0 40 EDAB COc1cccc(-n2nnc(C(=O)N[C@H](C)[C@H]3CCCO3)c2C)c1 27907679 AWPXOLAZJFLNQT-IAQYHMDHSA-N 330.388 1.882 0 40 EDAB CCSCC(=O)N1C[C@@H]2OCCN(Cc3cccc(C)n3)[C@H]2C1 2056224125 RTYOFTBFOJSAPB-HOTGVXAUSA-N 335.473 1.555 0 40 EDAB O=C(NC1CCC1)C1=NO[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@H]12 1565545242 YCCJISUMTWATBN-HYLRALAJSA-N 345.424 1.643 0 40 EDAB O=C(CC1(O)CCC1)N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1 1565549644 XSWOMJIIQXHFLD-HNNXBMFYSA-N 330.428 1.537 0 40 EDAB O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCOCC1 425036 JPFBXVHVSCESAC-UHFFFAOYSA-N 333.413 1.698 0 40 EDAB CCOc1ccc(N2C[C@H](NC(=O)N3CCN(C)CC3)CC2=O)cc1 4373632 WWKPCRATMCNUGN-CQSZACIVSA-N 346.431 1.148 0 40 EDAB COc1ccc(CC(=O)NCc2nnnn2-c2ccc(C)cc2)cc1 10592653 BXGTUDMZXNAEIS-UHFFFAOYSA-N 337.383 1.838 0 40 EDAB CN([C@H]1CCCN(c2nc3ccccc3n2C)C1)S(=O)(=O)C1CC1 2086889553 RXFKHINQKPZTNK-ZDUSSCGKSA-N 348.472 1.966 0 40 EDAB CCCCn1c(NCc2cccnc2)nc2c1c(=O)[nH]c(=O)n2C 36693357 XKIIOVYBQMXPMO-UHFFFAOYSA-N 328.376 1.231 0 40 EDAB CCCCCn1c(SCCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C 2029678 JEWAYRYQXKPQBI-UHFFFAOYSA-N 340.405 1.180 0 40 EDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1cccc2cn[nH]c12 31936889 MZTWMHUVHVWZGI-KRWDZBQOSA-N 346.456 1.501 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)c(=O)[nH]1 69775787 ZRYVIKZRDUDIRS-LBPRGKRZSA-N 333.338 1.970 0 40 EDAB Cc1cc(NC(=O)[C@H](NC(N)=O)C(C)C)ccc1N1CCCC1=O 11743114 DNEHFFPSZYEMIP-OAHLLOKOSA-N 332.404 1.753 0 40 EDAB O[C@@H](COc1ccccc1)CN1CCN(CCc2ccncc2)CC1 69775500 QUGXXNOFGZHVLK-LJQANCHMSA-N 341.455 1.682 0 40 EDAB CCn1nc(C)c(CNc2c(NCc3ccccn3)c(=O)c2=O)c1C 101692898 KNUSDNGWTUVRHA-UHFFFAOYSA-N 339.399 1.735 0 40 EDAB O=c1[nH]cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)[nH]1 4495762 YFTHGEGLJJJWSW-UHFFFAOYSA-N 336.156 1.171 0 40 EDAB CC(C)[C@H](c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1 4874154 JTBBTFZTBGTMMH-CQSZACIVSA-N 332.408 1.209 0 40 EDAB C[C@H](NC(=O)CCN1C(=O)CCC1=O)c1ccc(-n2ccnc2)cc1 32747950 IWMCGKSYJBRWIM-ZDUSSCGKSA-N 340.383 1.589 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)NCCCOCC2CC2)cc1 32750767 RMBNWRUCQCOMFH-UHFFFAOYSA-N 325.430 1.778 0 40 EDAB Cc1cc(C)n2c(SCC(=O)NC(=O)c3cccn3C)nnc2n1 7735252 JXWXCLKJQYJJAG-UHFFFAOYSA-N 344.400 1.128 0 40 EDAB NC(=O)Cn1c(SCc2nc(-c3ccco3)no2)nnc1C1CC1 32831000 ZXKICUHIQCAWDO-UHFFFAOYSA-N 346.372 1.576 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1ccccc1 10041539 SAAVEHAWQVRABL-CQSZACIVSA-N 332.425 1.712 0 40 EDAB Cn1ccc(N2CCC[C@H](NC(=O)c3scnc3C3CC3)C2=O)n1 89816702 FYPGFQPFPUZZEI-NSHDSACASA-N 345.428 1.679 0 40 EDAB Cc1cc(C)n2ncc(C(=O)[C@@H]3C(=O)N(C)N=C3c3ccncc3)c2n1 103263925 PSOIDAMWZRQPQH-CQSZACIVSA-N 348.366 1.416 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)c1cccnc1N1CCCC1 41821130 YDQTXIPQHRGKIW-UHFFFAOYSA-N 340.431 1.930 0 40 EDAB CN(CC(=O)N[C@@H]1CCOc2ccccc21)c1ncnc2nc[nH]c12 47403359 NBMJGRFSNLIKMJ-GFCCVEGCSA-N 338.371 1.429 0 40 EDAB Cc1c(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cnn1C 57312733 ZTUDQRGDZOMVMD-AEFFLSMTSA-N 340.427 1.954 0 40 EDAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 12408286 QNKYFNSRNXMSNG-UHFFFAOYSA-N 333.388 1.283 0 40 EDAB O=C(CN1C[C@@H](O)C[C@H]1C1CCCCC1)NC(=O)NCc1ccco1 106853654 SETRNCHIDAJXKM-HOCLYGCPSA-N 349.431 1.621 0 40 EDAB CNC(=O)CN1CCC(NC(=O)Cc2ccc3c(c2)CCC3)CC1 25230411 AIRXXDDLLYRGNS-UHFFFAOYSA-N 329.444 1.044 0 40 EDAB CC[C@@H]1CN(Cc2nccn2CC(F)(F)F)CCN1C[C@H](C)O 106906955 QINKEOVBLWPGSR-QWHCGFSZSA-N 334.386 1.722 0 40 EDAB O=C(NC[C@]1(COc2ccccc2)C[C@H](O)[C@H](O)C1)C1CCCC1 107430604 XCFCRBDUJNNAKN-IZZQQSIFSA-N 333.428 1.874 0 40 EDAB biogenic,in-vitro NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)o1 56351231 MZDDOWVWQNCHTO-LLVKDONJSA-N 340.788 1.998 0 40 EDAB C[C@@H](CNC(=O)CN1CCC[C@@H](O)C1)c1nc2ccccc2s1 107348817 HCFBFIDAHJIYEY-QWHCGFSZSA-N 333.457 1.973 0 40 EDAB Cc1c(CC(=O)N2CCO[C@@H]3CCC[C@@H]32)nnn1-c1ccccc1 57359061 VXQWOJKCQBHELA-DLBZAZTESA-N 326.400 1.898 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)C1 57348413 ASSQXJCYSRROCY-IRXDYDNUSA-N 343.427 1.335 0 40 EDAB CCN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O)C1CC1 58185432 IHEYSBPJKCCRBA-QGZVFWFLSA-N 333.363 1.604 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)CSCc1nc2ccccc2[nH]1 58291666 DFNUHQKSVROQEI-ZDUSSCGKSA-N 348.472 1.633 0 40 EDAB CCCCNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C 44954007 WXZJHIAKUPWGLB-UHFFFAOYSA-N 332.448 1.602 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCN2CCCC[C@H]2C)cc1 44943283 BYXSMWVGECMLEZ-CYBMUJFWSA-N 339.461 1.199 0 40 EDAB CNC(=O)c1ccc(=O)n(CC(=O)Nc2cc(Cl)ccc2F)c1 58438674 KRTCRFUYCFJLAS-UHFFFAOYSA-N 337.738 1.639 0 40 EDAB COc1ccc(CNC(=O)C[C@@H](NC(N)=O)c2cccs2)cn1 10991871 XSUWGJMGFBQHIK-LLVKDONJSA-N 334.401 1.568 0 40 EDAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(=O)[nH]c1 48290726 CVBJLHMVGSJLGJ-HNNXBMFYSA-N 325.368 1.468 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCOc1ccccc1F 3431621 XQLJTQCGWRJOET-UHFFFAOYSA-N 341.342 1.800 0 40 EDAB CCc1ncc2c(n1)CN(CC(=O)N1CCO[C@@H]3CCCC[C@@H]31)CC2 69951111 PNJVEGXYPTYWNZ-DLBZAZTESA-N 344.459 1.567 0 40 EDAB Cc1nc(CN2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cs1 69952267 CDOYJKIESFKGIS-UHFFFAOYSA-N 332.429 1.488 0 40 EDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1=O 63465540 XKGZYNYKGPTHLZ-SNUQEOBHSA-N 339.351 1.882 0 40 EDAB CCNC(=S)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 13682990 CFKRZWWYCBGLGU-UHFFFAOYSA-N 341.502 1.504 0 40 EDAB Nc1nonc1C(=O)NCCNCc1ccc(-c2ccccc2)o1 5243620 VQFJCOYQTCEGMM-UHFFFAOYSA-N 327.344 1.431 0 40 EDAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(N2CCCC2)CC1 65474416 VMWKRMRUQVFFPY-CQSZACIVSA-N 344.459 1.673 0 40 EDAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1 65512627 PNNHBGLIKNSVAL-LBPRGKRZSA-N 334.372 1.809 0 40 EDAB COC(=O)C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)OC 14162590 VDSLWLITLYIBEZ-CQCMJFKXSA-N 338.404 1.359 0 40 EDAB C[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)n1c(=O)[nH]c2ccccc2c1=O 8994223 XXMPLGXQAQANDK-JTQLQIEISA-N 349.350 1.188 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 8987412 LDCRVWHWAVFVIS-UHFFFAOYSA-N 348.384 1.349 0 40 EDAB Cc1n[nH]c2ncc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)cc12 68031466 LBKROTVVCPCDEQ-VXGBXAGGSA-N 331.420 1.495 0 40 EDAB CCCc1cc(NC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)n(C)n1 91094612 YDHZGIRFZRHNHG-AWEZNQCLSA-N 349.479 1.995 0 40 EDAB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N1CCOCC1 8146782 KDUALWAHDXFCSP-UHFFFAOYSA-N 341.389 1.216 0 40 EDAB CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 8232326 VVCBEEDXADWVQK-GFCCVEGCSA-N 347.371 1.363 0 40 EDAB O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1CCC(C2OCCO2)CC1 69290149 BPHMXVSXOZMTJI-INIZCTEOSA-N 348.374 1.930 0 40 EDAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2cc[nH]n2)C1 69582338 LLYNZDQFCGVRJB-ZDUSSCGKSA-N 327.344 1.546 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)NCC[S@@](=O)c1ccccc1 69623557 YXOXWRBGRMJVIQ-NRFANRHFSA-N 344.502 1.893 0 40 EDAB COc1ccc(OC)c2c1CN(Cc1nnnn1C1CC1)C[C@@H]2O 26162430 NWDWFEFBKITAJB-LBPRGKRZSA-N 331.376 1.074 0 40 EDAB COC[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)C1CC1 93927309 MKMRMZJKVNWYIR-JTQLQIEISA-N 329.809 1.920 0 40 EDAB O=C(NCCc1ccc(O)cc1)[C@H]1CN(Cc2ccccc2)CCO1 96421672 HOQDBHPSJQUAQH-LJQANCHMSA-N 340.423 1.952 0 40 EDAB CN(C)c1ccc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cn1 71841809 UYCVWOHFTUPXMG-NSHDSACASA-N 330.354 1.762 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)C1 71804965 WFZLEKVYHOZURO-SECBINFHSA-N 333.285 1.861 0 40 EDAB C[C@H](C(=O)Nc1nc(CC(N)=O)cs1)N1CCc2ccccc2C1 71893242 YFNMIVLLUXVWOD-LLVKDONJSA-N 344.440 1.556 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@H]2Cn2nc(C)cc2C)ccc1=O 71870039 DICGHYIKTHLSIL-HNNXBMFYSA-N 343.431 1.771 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@H](C)S(C)(=O)=O)n1 71865526 RTTQMKRJYGVEJO-UONOGXRCSA-N 327.450 1.314 0 40 EDAB C[C@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)CCN1C[C@@H](C)O 71864279 CYVUHWWIAQACFN-JKSUJKDBSA-N 344.459 1.010 0 40 EDAB Cc1nnc(CN2CCN(C[C@@H](O)c3cccc(F)c3)CC2)n1C 71877062 DVJXFXRPEAAXSB-MRXNPFEDSA-N 333.411 1.114 0 40 EDAB CC(C)=CC(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 71888090 VDIRGWIMVCGQCN-QGZVFWFLSA-N 329.444 1.966 0 40 EDAB CC(C)(C)[S@](=O)CCNC(=O)C1CCN(c2cnccn2)CC1 71900771 ZKCZDYYFDCJIOZ-QHCPKHFHSA-N 338.477 1.356 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)C1 84136520 VCUVDAQBNFJZBG-RYUDHWBXSA-N 333.392 1.401 0 40 EDAB NC(=O)COc1cccc(CNc2ncc(Br)cn2)c1 76064210 HOEFFRGGOBDWHX-UHFFFAOYSA-N 337.177 1.715 0 40 EDAB CN(C)[C@H](CNC(=O)C(=O)Nc1cccc2c1CCCC2)C1CC1 72287735 GRBDDGRHPMDNJS-QGZVFWFLSA-N 329.444 1.960 0 40 EDAB Cc1nnc(-c2ccc(NC(=O)N[C@@H](C)Cn3cncn3)cc2)o1 84291628 NCVHJMDJNUUILX-JTQLQIEISA-N 327.348 1.847 0 40 EDAB CNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1F 97163107 WMKGBVZASYDHAO-UHFFFAOYSA-N 339.186 1.003 0 40 EDAB CC(C)Nc1cccc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c1 72311736 ZLPNYGHFKGAWOK-GOSISDBHSA-N 335.448 1.320 0 40 EDAB O=S(=O)(NCCNc1ncccn1)N1CCC[C@H]1c1ccco1 78880106 DSRGQGNJYVPYTQ-LBPRGKRZSA-N 337.405 1.153 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(C[C@H](O)c3ccc(F)cc3F)C2=O)cn1 72914628 XTXYOEWFRNLGRL-ABAIWWIYSA-N 349.337 1.350 0 40 EDAB CS[C@@H]1CN([C@@H](C)C(=O)NCCc2cccs2)C[C@@H]1N(C)C 95446849 XAAGIASPXRRHBJ-AEGPPILISA-N 341.546 1.773 0 40 EDAB Cc1cc(N(C)C2CCS(=O)CC2)n2nc(C(F)(F)F)nc2n1 95411557 VVRXUQVYDVPSIN-UHFFFAOYSA-N 347.366 1.799 0 40 EDAB C[C@]1(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCCC[C@@H]1O 79001267 YXXXHDFRSDJJRI-UHIISALHSA-N 336.354 1.455 0 40 EDAB Cc1csc2ncc(C(=O)N3CC[C@@H](CN4CCCC4)C3)c(=O)n12 95989113 YXZJHZLPIHSDPA-ZDUSSCGKSA-N 346.456 1.622 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 9917666 ROYAWQOLYQPNTD-OAHLLOKOSA-N 345.443 1.109 0 40 EDAB CN1CCO[C@H](CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 75128309 ZEXZWPZAJZWAEV-OAHLLOKOSA-N 344.415 1.268 0 40 EDAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)NC[C@H]1CCS(=O)(=O)C1 89621546 YUWSKWVCJYPMGW-OLZOCXBDSA-N 342.465 1.032 0 40 EDAB CC(C)(C)SCCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 89694511 FWKDEFNQFJJKDQ-SECBINFHSA-N 341.399 1.981 0 40 EDAB CC(C)[C@@H](C(=O)NC[C@@]1(O)CCCc2ccccc21)N1CCCC1=O 66930364 QVFUPTIQNULHMP-ICSRJNTNSA-N 344.455 1.974 0 40 EDAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccn1 408707408 AIKCIAKYXOQKTB-UHFFFAOYSA-N 340.383 1.475 0 40 EDAB O=C(O)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 61717530 AQMGDLQSRLAAEA-UHFFFAOYSA-N 335.747 1.155 0 40 EDAB CCc1ncnc(CC)c1C(=O)NC[C@@H]1CCCN1c1cccnn1 556226968 AYMHJZOQAJSHJP-ZDUSSCGKSA-N 340.431 1.790 0 40 EDAB O=C(Nc1ccnc(Cl)c1)C(=O)N[C@@H](CO)Cc1ccccc1 36584526 GIWGCHANOXXMAC-CYBMUJFWSA-N 333.775 1.393 0 40 EDAB NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1cccc2cccnc12 32907247 OLZIDUDUQBAUIH-SFHVURJKSA-N 332.363 1.969 0 40 EDAB Cc1nc([C@H](NC(=O)c2ccc(=O)[nH]c2)c2ccccc2F)no1 79350946 OTHYDVMYSOVKAG-CQSZACIVSA-N 328.303 1.725 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2C[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 217989548 APJBXMFIDGDCRU-BBRMVZONSA-N 340.445 1.763 0 40 EDAB CC(=O)c1ccc(NC(=O)Cn2nc3c(cc2=O)CSCC3)cc1 71288986 YNKBVNWPZIMOIW-UHFFFAOYSA-N 343.408 1.874 0 40 EDAB CCCCNc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O 217592334 QSIOITYVJOBLPF-UHFFFAOYSA-N 330.406 1.258 0 40 EDAB COc1cc(C(=O)N2CC(Nc3ccncn3)C2)cc(OC)c1OC 1565523113 YRQUCVKKAUNSAI-UHFFFAOYSA-N 344.371 1.439 0 40 EDAB CC(C)CC(=O)NCCn1nc([C@@H]2CCN(C)C2)c2nccnc21 72391624 UBSYZGSHNZCFRG-CYBMUJFWSA-N 330.436 1.408 0 40 EDAB C[C@@H]1COc2ccccc2CN1C(=O)c1ccn(CCN(C)C)n1 566450646 INVJZDJQVAFMQR-CQSZACIVSA-N 328.416 1.868 0 40 EDAB Cn1nc(C(=O)N[C@H](c2cccnc2)C2CCOCC2)ccc1=O 225620417 OLYUDUOOVFXJJF-INIZCTEOSA-N 328.372 1.073 0 40 EDAB Cn1cc([C@@]2(C)CN(C(=O)CCc3ccc(O)cc3)CCO2)cn1 195556953 AFXNJGNEMQZMAN-GOSISDBHSA-N 329.400 1.833 0 40 EDAB C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@]1(C)Cc1ccccc1 194086019 WQZPUHSYLGRWNU-PBHICJAKSA-N 338.473 1.890 0 40 EDAB CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn(CC(N)=O)c1=O 225965139 NWFXDRKYRWPESQ-UHFFFAOYSA-N 335.747 1.226 0 40 EDAB CCN1CCN(c2ncc3c(n2)CN(Cc2cccs2)C3=O)CC1 41122997 WEELRSMFBQUKTA-UHFFFAOYSA-N 343.456 1.836 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)N[C@H](CO)Cc1ccccc1 133390502 VZCMRNNGSWLNMU-IRXDYDNUSA-N 326.396 1.893 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)c1nnc(-c2ccoc2C)n1C 195109512 QGCGVNOIDVSAPT-UHFFFAOYSA-N 336.373 1.962 0 40 EDAB Cn1cc(CC(=O)N2CCN(c3nncc4ccccc34)CC2)cn1 96443711 WQZFLVXPKRSCTO-UHFFFAOYSA-N 336.399 1.255 0 40 EDAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@H]1CN1CCOCC1 333659162 WEIQZTNTHFESMJ-YYIAUSFCSA-N 337.464 1.450 0 40 EDAB Cc1ccc(N2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)nn1 96187276 PMSBBYXGJVUCLY-BZUAXINKSA-N 342.399 1.821 0 40 EDAB CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(CCOCc2ccccc2)C1 96065627 FKVVXWZJYFDSLL-RCCFBDPRSA-N 332.444 1.771 0 40 EDAB O=C(c1c[nH]cn1)N1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 96250058 XJUGCUJFKQXMDZ-BHYGNILZSA-N 342.399 1.641 0 40 EDAB Cc1cc(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)ncn1 95442868 FBDGQDFHYLZSDO-KRWDZBQOSA-N 340.427 1.458 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(CCc2ccncc2)CC1 96224297 KBPAKNOVMNMJCP-UHFFFAOYSA-N 328.416 1.616 0 40 EDAB Cc1cc(N2CCOCC2)nc(CNC(=O)Cc2ccc(F)cc2)n1 96120912 QLPRLZHDBOEGHO-UHFFFAOYSA-N 344.390 1.620 0 40 EDAB C[C@H](C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)n1cncn1 97233651 DEKZBQCRFSEFPR-SNVBAGLBSA-N 342.325 1.918 0 40 EDAB Cn1nccc1C(=O)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109032 AXEVMJHDVLPDOD-KDOFPFPSSA-N 342.399 1.121 0 40 EDAB C[C@@H]1CC[C@@H](C)N1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 95411860 KCHARFHGXYTRHR-NXEZZACHSA-N 328.372 1.433 0 40 EDAB CC1(C)CC(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc21 96183418 ZPPMAZNHEKKHOJ-NSHDSACASA-N 338.429 1.764 0 40 EDAB Cn1cccc1C(=O)N[C@@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12 96185912 XAJHAYFGTMRESQ-XJKCOSOUSA-N 346.456 1.643 0 40 EDAB O=C(c1ccc2c(c1)CCCC2)N1CC[C@@](O)(CN2CCOCC2)C1 257301194 RXJIFPRLFZIJIA-HXUWFJFHSA-N 344.455 1.475 0 40 EDAB Cc1ccsc1CN1CC2(C1)OCC[C@H]2CCNS(C)(=O)=O 253598508 COHBDSUVSYBNNR-CYBMUJFWSA-N 344.502 1.587 0 40 EDAB COC(=O)c1cc(NC(=O)N[C@H](C)c2cc(C)ccc2OC)nn1C 585135298 AMZSYGUDIBVNEH-LLVKDONJSA-N 346.387 2.406 0 40 EDAB CC[C@@H](Nc1cccnc1Cl)C(=O)NCC1(C(=O)OC)CC1 585132033 NBGPRSUZTMAAAI-SNVBAGLBSA-N 325.796 1.995 0 40 EDAB CCc1ccccc1S(=O)(=O)N1CCN(c2ncns2)CC1 585115298 VEMSUVMVUUIFGV-UHFFFAOYSA-N 338.458 1.611 0 40 EDAB CC[C@@H](CNC(=O)N1CC[C@@](F)(CO)C1)N1CCc2ccccc2C1 252478086 ACVNEWDJWTXLKE-HKUYNNGSSA-N 349.450 1.939 0 40 EDAB COCC(=O)N1CCC[C@H](c2cnc(-c3c(C)nn(C)c3C)cn2)C1 257281954 ORRCSCBAUPMMIU-AWEZNQCLSA-N 343.431 1.846 0 40 EDAB CN1C(=O)CCC[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC[C@H]21 257338820 YZBPXJAJVSGJJG-JKSUJKDBSA-N 336.457 1.849 0 40 EDAB CNc1cccc(CC[C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 257334905 YHVJRGKMXRWJAJ-AWEZNQCLSA-N 326.466 1.717 0 40 EDAB COC(=O)[C@H]1CCc2nnc(C(=O)NCc3ccc(Cl)cc3)n2C1 601044773 QWFMUTBCYLKSPA-NSHDSACASA-N 348.790 1.597 0 40 EDAB CC1(Cn2cc(C(=O)N[C@@H]3c4ccccc4CC[C@@H]3O)nn2)COC1 1615040206 NDFWWSLUFNAZJT-JKSUJKDBSA-N 342.399 1.093 0 40 EDAB CC(C)[C@H](NC(=O)C1=NN2CCCN=C2N1)c1ccc(F)c(F)c1 1615045148 YSVKNOQAFQTSIW-ZDUSSCGKSA-N 335.358 1.757 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](NCCOCCO)CC[C@@H]21 1616035927 BSWYUXUJWXRUPF-ILXRZTDVSA-N 328.453 1.763 0 40 EDAB NC1(c2ccc(I)cc2)CC2(C1)OCCO2 642882576 NZDWBNGPOCMYQX-UHFFFAOYSA-N 331.153 1.982 0 40 EDAB Cc1cc(NC(=O)N2CCC[C@H](S(C)(=O)=O)C2)cn2ccnc12 296987558 OHIHFEPHHXJECV-ZDUSSCGKSA-N 336.417 1.684 0 40 EDAB Cc1ccoc1C(=O)N1CC2(CC[C@@H](CN3CCCC3=O)CO2)C1 575402835 DCWAWYMBTJGWDW-AWEZNQCLSA-N 332.400 1.832 0 40 EDAB CCCc1nnsc1C(=O)NCCn1ccnc1-c1cnccn1 575608639 GXAAZERUTSMQTN-UHFFFAOYSA-N 343.416 1.574 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1ccc2c(c1)OCO2 585277608 JBIQGQVSBKBXPL-KRWDZBQOSA-N 334.372 1.173 0 40 EDAB CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 585290674 ZVNPRRMOYXWBLT-ZEWWTIJFSA-N 342.399 1.258 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N3CSC[C@H]3C(=O)N(C)C)ccc21 66657230 ALQWBPKLQFFNJE-HNNXBMFYSA-N 347.440 1.199 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)N(CCN(C)C)Cc1cccc(F)c1 68313554 BKWYVEVGEIYDPL-RHSMWYFYSA-N 349.450 1.878 0 40 EDAB COC(=O)[C@@H]1CN(Cc2cc(F)ccc2Br)CCO1 69529159 PIHGXTXOUUJFTJ-LBPRGKRZSA-N 332.169 1.962 0 40 EDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)[C@H]1CCCN(c2ncccn2)C1 69586074 SMJQFFXQEQMNKS-ARFHVFGLSA-N 329.448 1.436 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCCN(c2cnccn2)C1 69520946 DJJPCHPZMGHGJJ-ZACQAIPSSA-N 343.475 1.778 0 40 EDAB C/C=C1\C=C(C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23 1559538514 UAYZNOYHWPOXJQ-HUSKYQGWSA-N 333.384 1.113 0 40 EDAB CCc1nn(CC(=O)NCCOC)c(=O)c2cc3sccc3n12 5108902 WXOBGJDEXCVLPQ-UHFFFAOYSA-N 334.401 1.036 0 40 EDAB CNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 13585069 ZAEUQXUHDKGODI-UHFFFAOYSA-N 348.424 1.945 0 40 EDAB CCS(=O)(=O)N1CCc2cc(C(=O)NCc3cccnc3)ccc21 13610139 LEWNOHKPQITPTL-UHFFFAOYSA-N 345.424 1.724 0 40 EDAB COC(=O)c1cc(O)nc(SCC(=O)OC2CCCCC2)n1 16194075 MDEOPJWZFZFLMU-UHFFFAOYSA-N 326.374 1.937 0 40 EDAB Cc1ccc(C(=O)O)cc1NC(=O)C[C@H]1SC2=NCCN2C1=O 16899439 DKQNBSHICJHOAE-LLVKDONJSA-N 333.369 1.335 0 40 EDAB Cc1cc(C)c(N2C(=O)C[C@@H](SC[C@H](N)C(=O)O)C2=O)c(C)c1 16899705 KJGVKQCSIKBUJN-NWDGAFQWSA-N 336.413 1.389 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCN2c2ncccc21)NCc1ccco1 19346572 TYUNOCQLBXBWAS-CQSZACIVSA-N 326.356 1.306 0 40 EDAB COc1cc(C(=O)NC(C)(C)CN2CCC[C@H](C)C2)nc(OC)n1 19496545 QZSUYBZWHUBGHZ-LBPRGKRZSA-N 336.436 1.734 0 40 EDAB COc1cnc(OC2CCN(C(=O)c3snnc3C)CC2)nc1 1889141304 MNCVJFLQNUWWDT-UHFFFAOYSA-N 335.389 1.329 0 40 EDAB Cc1nccn1-c1cc(N2CCN(C(=O)CC(C)C)CC2)ncn1 36705781 SBZUEFXYMYAYRT-UHFFFAOYSA-N 328.420 1.665 0 40 EDAB Cc1cccnc1C(=O)N1CC[C@@H]2OCC(=O)N(C(C)C)C[C@H]2C1 2037984619 HKCBACHPQBXSSL-CABCVRRESA-N 331.416 1.488 0 40 EDAB O=C1CC(C(=O)N2CC3(C[C@@H](NC4CCCC4)CS3)C2)=CC=N1 2056223420 KMKKLDLRSPIQSH-CQSZACIVSA-N 333.457 1.533 0 40 EDAB O=c1[nH]cc(NCCNc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]1 20218844 MAMVNCULULFONI-UHFFFAOYSA-N 349.700 1.654 0 40 EDAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(CC(=O)NC[C@H]2CCCO2)C1 2087064953 YLUNIPVLMRFGRJ-HUUCEWRRSA-N 339.480 1.251 0 40 EDAB Cc1ccc(-c2cc(=O)n(CC(=O)NC[C@H]3CCCO3)cn2)cc1 13806625 DPTUTIBTHKNLDS-OAHLLOKOSA-N 327.384 1.514 0 40 EDAB COc1cnccc1C(=O)N1CC[C@H]2C[C@H](c3n[nH]c(C)n3)O[C@@H]2C1 2055756395 LMGMHKWYPJQZLP-NJZAAPMLSA-N 343.387 1.509 0 40 EDAB COc1nc(CNC(=O)Nc2cccc(SC)c2)nc(OC)n1 575607983 RQINRSLQNXFBBO-UHFFFAOYSA-N 335.389 1.932 0 40 EDAB O=C(Cn1nnc2ccccc21)NCc1cn(-c2cccs2)nn1 575617526 TZSMMAZMSOIYGA-UHFFFAOYSA-N 339.384 1.390 0 40 EDAB O=C(c1ccc(N2CCOCC2)cc1)N1CC(Nc2ncccn2)C1 253471749 FKAZCBXEVYVSFC-UHFFFAOYSA-N 339.399 1.250 0 40 EDAB CCCNC(=O)[C@H]1CCCN(Cc2nc(N)c3ccccc3n2)C1 50998645 SXMWZNLSGFWZAD-ZDUSSCGKSA-N 327.432 1.950 0 40 EDAB CC(C)c1ccc(-c2noc(CCC(=O)NS(C)(=O)=O)n2)cc1 40543981 NFOZRVBSABJWDH-UHFFFAOYSA-N 337.401 1.868 0 40 EDAB CC(C)CN1C[C@@H](C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1=O 40553772 HBVWHKHEHLWCGQ-GJZGRUSLSA-N 345.447 1.066 0 40 EDAB CN(C)c1cc(CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)ccn1 81477299 VHXTWDJPXHOUHL-CYBMUJFWSA-N 332.326 1.356 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 29201182 JFHDTZGJXAXYIP-CQSZACIVSA-N 340.420 1.398 0 40 EDAB COc1ccc(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1OC 8134375 MWGMKMGQDYVHQM-LBPRGKRZSA-N 327.402 1.145 0 40 EDAB CCCn1nnnc1SCC(=O)Nc1cc(OC)ccc1OC 1357466 ICIFVHHITDCXEC-UHFFFAOYSA-N 337.405 1.831 0 40 EDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1 20762482 SPHGVNULXYANSD-MRXNPFEDSA-N 344.371 1.248 0 40 EDAB biogenic O=C(NC1CCN(Cn2nc(-c3ccccc3)oc2=O)CC1)C1CC1 29586928 SWFJEUIRYBQNMG-UHFFFAOYSA-N 342.399 1.451 0 40 EDAB CC[C@@H](CNC(=O)CCn1c(=O)oc2ccccc21)N1CCCC1 32654056 YWPCRPGSMFDRAY-AWEZNQCLSA-N 331.416 1.975 0 40 EDAB O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](N2CC=CC2)C1 102090156 ZTCCJTTUUFMKIU-LLVKDONJSA-N 347.362 1.735 0 40 EDAB NS(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 108982283 OERFYGQDXVQCRG-SLEUVZQESA-N 339.413 1.692 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)C[C@@H]1N1CCOCC1 76053408 IPUFKTDUBSNTFH-KEYYUXOJSA-N 332.400 1.006 0 40 EDAB COC(=O)[C@H]1CCC[C@H](C(=O)NCCCCN2CCOCC2)C1 76060884 VRCUIHGEFQBDQE-GJZGRUSLSA-N 326.437 1.194 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN1CCN([C@@H](C)c2cccnc2)CC1 76040324 JKEPUNROKQIEDT-HNNXBMFYSA-N 342.447 1.739 0 40 EDAB CC(C)NC(=O)NC(=O)CSc1nc(N)c2ccsc2n1 9609849 KHKXNLZMPOSNSI-UHFFFAOYSA-N 325.419 1.600 0 40 EDAB COC(=O)[C@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420119 QBGQCINBSKQEPH-MEQWQQMJSA-N 336.775 1.147 0 40 EDAB Cc1cc(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)on1 22392839 AHYFGLYWXMHBAG-UHFFFAOYSA-N 346.412 1.250 0 40 EDAB CCn1nc(C)c2c1cnn2CCNS(=O)(=O)c1ccccc1 57279728 JCJYMGGXKOIRLG-UHFFFAOYSA-N 333.417 1.540 0 40 EDAB Cc1cc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)on1 69347884 PTYXOAQAHARDPI-UHFFFAOYSA-N 332.364 1.229 0 40 EDAB Cn1nnc2cc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)ccc21 103788513 BIPBPUWYTFKMHW-ZDUSSCGKSA-N 326.360 1.596 0 40 EDAB O=C(NCCC(=O)N1CCCc2ccccc21)c1cn2cccnc2n1 53857620 MQQRIFKOFRUDLR-UHFFFAOYSA-N 349.394 1.829 0 40 EDAB COCCN1CC[C@H](NC(=O)N2CC[C@H](Cc3ccccc3)C2)C1 76088187 UVFGLMJJLJAJAF-MSOLQXFVSA-N 331.460 1.981 0 40 EDAB Cc1occc1CNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 102715156 QAHAHICBKYSAGJ-HNNXBMFYSA-N 326.352 1.723 0 40 EDAB C[C@@H]1CNCCN1S(=O)(=O)c1ccc(Br)s1 54371686 ZTJXJMWAROKDMJ-SSDOTTSWSA-N 325.253 1.493 0 40 EDAB CC(C)N1C[C@@]2(CO[C@H](C(=O)NCCN(C)C)C2)c2ccccc21 107275436 WMXIOYAYYSNURR-HKUYNNGSSA-N 331.460 1.620 0 40 EDAB Cn1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)cn1 61721379 GDSNTTXNPATBHM-UHFFFAOYSA-N 338.367 1.950 0 40 EDAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCOCC1 24577980 XISDILDVQCZQSJ-AWEZNQCLSA-N 326.343 1.578 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)no1 41178937 CQTVBLOPCXIVTP-UHFFFAOYSA-N 335.310 1.859 0 40 EDAB Cc1nn(C)c2ncc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cc12 43271229 BKLYVSZDVQFIKM-AWEZNQCLSA-N 340.387 1.905 0 40 EDAB O=c1/c(=N/NC(=S)NC[C@H]2CCCO2)c2cccc3cccc1c32 102976597 YKMYYRQBKZOISV-SPYINAPQSA-N 339.420 1.688 0 40 EDAB Cn1cc(CN2CCCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)cn1 106660628 NWQVHUNVKRYNPA-CVEARBPZSA-N 328.416 1.851 0 40 EDAB O=C(CCn1nc(O)c2ccccc2c1=O)NCCc1ccccn1 25440068 UBODXIFUUZREHY-UHFFFAOYSA-N 338.367 1.246 0 40 EDAB O=C1CC[C@H](NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)CN1 107359414 SSWBDJKQCHGFPS-STQMWFEESA-N 336.823 1.497 0 40 EDAB O=C(NC1CCCC1)c1ccccc1NS(=O)(=O)c1cn[nH]c1 57116407 DLKYBCQVROVAMX-UHFFFAOYSA-N 334.401 1.883 0 40 EDAB CC(C)(C)c1noc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900659 NCUGGLHYNXTWDH-JTQLQIEISA-N 332.408 1.569 0 40 EDAB CCn1c(C2CCN(C(=O)[C@H](N)CC3CCCC3)CC2)nn(C)c1=O 67654170 WRGDASJSUNDXRM-OAHLLOKOSA-N 349.479 1.215 0 40 EDAB CO[C@H]1CCCC[C@H]1OC(=O)Cc1csc(N2CCNC2=O)n1 44734198 WYJMITZGRNOEFH-NWDGAFQWSA-N 339.417 1.716 0 40 EDAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCCCO2 58146168 LJFPOZILGJIQPV-LBPRGKRZSA-N 333.388 1.980 0 40 EDAB COc1ccc(Cn2nnnc2SCCCN2CCCC2=O)cc1 58161461 LNEPGEQGHLCLCT-UHFFFAOYSA-N 347.444 1.835 0 40 EDAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCN(c2cnccn2)CC1 27634139 TWYFYVZRJBTWFF-AWEZNQCLSA-N 343.406 1.443 0 40 EDAB CN(C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)C1CCCC1 20112502 UADWNRJFPZNDIN-OAHLLOKOSA-N 338.429 1.615 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NC)c(C)c1 58203023 VVNYADZFODXGSA-AWEZNQCLSA-N 340.445 1.683 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCc2ccccc2F)CC1 58289620 ILTZAQNIFLELRB-QGZVFWFLSA-N 347.434 1.699 0 40 EDAB CC(C)N1CCC[C@@H](CNC(=O)c2ccccc2-n2cnnn2)C1 58203082 XLHWTEJODFROIX-AWEZNQCLSA-N 328.420 1.513 0 40 EDAB CCc1ccc(C(=O)N2CCN(Cc3nnnn3C3CC3)CC2)cc1 27758832 DUANAQQWYQATMS-UHFFFAOYSA-N 340.431 1.528 0 40 EDAB Cn1nc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)ccc1=O 44912830 XTQSNEUHZKKJDP-UHFFFAOYSA-N 340.383 1.198 0 40 EDAB O=C(NCCNc1cnccn1)NC[C@@H]1CCN(c2ccccc2)C1 44970786 ZQWRNXSRECTYAF-HNNXBMFYSA-N 340.431 1.714 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCC2)cn1 44937192 ZIFWTWWXCBIIRH-MRXNPFEDSA-N 334.445 1.536 0 40 EDAB COC(=O)CCCNC(=O)CSc1nnc(OC(C)C)s1 58332374 RVITVCPWNMQHAL-UHFFFAOYSA-N 333.435 1.487 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)CNC(=O)c1cc(F)cc(F)c1 58343412 DUWXZYGGHNKSFZ-JTQLQIEISA-N 341.358 1.116 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1ccn(C)n1 58415071 XYRNHLRFAUJHGT-JTQLQIEISA-N 337.405 1.292 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)CC1 69738095 YURZQFQOUDESHO-QWHCGFSZSA-N 342.486 1.700 0 40 EDAB Cc1ccc(CN(C)C(=O)CS(=O)(=O)Cc2cc(C)no2)cc1 36391662 AFNXKXVEPDOPNL-UHFFFAOYSA-N 336.413 1.865 0 40 EDAB Cc1cccn2c(=O)c3cc(C(=O)NCCN(C)C)sc3nc12 2498375 QKAHNYNZRIROSX-UHFFFAOYSA-N 330.413 1.509 0 40 EDAB O=C(COc1cccnc1)N1CCN(C[C@H](O)c2ccccc2)CC1 69738425 AJDRGEUEJUVORB-SFHVURJKSA-N 341.411 1.338 0 40 EDAB O=C(NCc1cc[nH]n1)NC[C@@H]1CN(Cc2ccccc2)CCO1 48230587 CLULEDNFWJUHCU-MRXNPFEDSA-N 329.404 1.110 0 40 EDAB CC[C@H](CCNC(=O)CNC(=O)c1ccccc1)N1CCCC1=O 69489803 XVBMURJSIYWHPO-OAHLLOKOSA-N 331.416 1.324 0 40 EDAB C[C@@H](OCC1CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 69484026 JSISDTRWFKOWHQ-CXAGYDPISA-N 330.428 1.808 0 40 EDAB Cc1cnn(C[C@H](C)NCC2=NS(=O)(=O)c3ccccc3N2)c1 69493507 FSVAOQXBZOISHW-LBPRGKRZSA-N 333.417 1.383 0 40 EDAB COC(=O)N1CCC[C@@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)C1 69488441 LFFIWAQXKLIYPK-GFCCVEGCSA-N 330.388 2.000 0 40 EDAB O=C(Cc1cnn(-c2ccccc2)n1)N1CCC[C@H](n2cccn2)C1 69418220 YIEKIPGEXSSDIK-KRWDZBQOSA-N 336.399 1.870 0 40 EDAB Cc1nnnn1-c1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1 71284249 IGPWZOMCEWJPIM-UHFFFAOYSA-N 346.391 1.225 0 40 EDAB COCCn1c(C)cc(C(=O)Cn2nnc3ccccc3c2=O)c1C 3617790 AIQSWTCBTJKSSO-UHFFFAOYSA-N 340.383 1.739 0 40 EDAB Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=O)c1C 17945722 VZGHLUNDOBBUGV-UHFFFAOYSA-N 342.399 1.438 0 40 EDAB Cc1cc([C@H]2CN(C(=O)NCc3ncn(C)n3)CCO2)ccc1F 91791670 YRWDKVJDRRXOGT-CQSZACIVSA-N 333.367 1.546 0 40 EDAB O=C(NCCc1ccn(-c2ccccc2)n1)N1CCC[C@@H](CO)C1 69655830 AHLPOWJIRCVKEY-OAHLLOKOSA-N 328.416 1.829 0 40 EDAB O=C(CCc1ccncc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69846656 LAEQHCKKAZVKCH-LJQANCHMSA-N 339.439 1.892 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCCC1=CCCCC1 65440701 CKQZVDIVZDHOFU-OAHLLOKOSA-N 343.493 1.990 0 40 EDAB CC1CCN([C@@H](CNC(=O)Cn2cnnn2)c2cccs2)CC1 65459586 FDTVAXIYZBVZHW-ZDUSSCGKSA-N 334.449 1.324 0 40 EDAB O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCN(C2CC2)CC1 65472888 OTRRMBCVPLXHPO-UHFFFAOYSA-N 338.411 1.212 0 40 EDAB CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cn1nnc2ccccc21 65568478 RPUZVYNLTIDWIR-BXUZGUMPSA-N 347.444 1.248 0 40 EDAB CCN(CC)S(=O)(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 65626632 FWPLKBRTMIPLPU-KRWDZBQOSA-N 339.505 1.727 0 40 EDAB CCn1cc(CC(=O)NCCN2CCN(C)CC2)c2ccccc21 65622072 RVDZSQZFIWVVBF-UHFFFAOYSA-N 328.460 1.567 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 66083877 OTZBGROSGSKOEW-RDTXWAMCSA-N 345.399 1.137 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccccc2F)CC1)c1ccco1 9113063 FQDVCOQTKPULFL-UHFFFAOYSA-N 345.374 1.887 0 40 EDAB NC(=O)[C@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CCO1 66643825 ULSFIWLLPMBTGQ-GFCCVEGCSA-N 346.305 1.231 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 67139330 PKCBGQQGZLGMIG-RYUDHWBXSA-N 346.449 1.079 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(c3ncccc3F)CC2)on1 90630686 HWBMHNJHNAQEPF-GFCCVEGCSA-N 333.367 1.666 0 40 EDAB O=S(=O)(NCC1(CCO)CCC1)c1ccc(C(F)(F)F)nc1 96007760 NTLKDXWLMVPCEP-UHFFFAOYSA-N 338.351 1.931 0 40 EDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccc(C(N)=O)cn3)C2)n1 71870907 ODASQFSEFNJKCR-CQSZACIVSA-N 327.388 1.471 0 40 EDAB O=C(NCc1cccc(CN2CCOCC2)c1)N1CCSCC1 72002980 WFACCWYJUKVBPU-UHFFFAOYSA-N 335.473 1.777 0 40 EDAB CCN(CC)C(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209564 OZDPTQPKNVWPEW-CQSZACIVSA-N 338.429 1.543 0 40 EDAB O=C(COc1ccc(F)cc1F)N1CCN([C@H]2CCC[C@H]2O)CC1 72268995 WLZUANLYKHXZIG-LSDHHAIUSA-N 340.370 1.401 0 40 EDAB Cn1nc2n(c1=O)CCN(C(=O)c1ccc(F)c(Cl)c1F)C2 97138860 NPEIZOMSKYBOCS-UHFFFAOYSA-N 328.706 1.169 0 40 EDAB CCC[C@H]1C(=O)NCCN1c1cc(-c2ccccc2)nc2ncnn12 95451668 OGKZWTZQFXJESS-HNNXBMFYSA-N 336.399 1.896 0 40 EDAB C[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)N1CCOC[C@H]1C 95402862 DGFAFJPTNPGBII-NWDGAFQWSA-N 332.853 1.826 0 40 EDAB O=C(CCCN1C(=O)c2cccnc2C1=O)Nc1n[nH]c2ccccc12 95472902 OQERAAYPDLRTEX-UHFFFAOYSA-N 349.350 1.973 0 40 EDAB CC(C)n1ncc(C(=O)OCc2nc(N)c3ccccc3n2)c1N 95466506 JFXLADKGSOFDQS-UHFFFAOYSA-N 326.360 1.929 0 40 EDAB C[C@@H](C(=O)N(C[C@H]1CN(C)CCO1)c1nccs1)n1cccn1 95402117 XQWNCVHYTZUIJU-QWHCGFSZSA-N 335.433 1.264 0 40 EDAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc2c(c1)OCO2 85413510 ADSATSKZWVCTAR-UKRRQHHQSA-N 330.292 1.743 0 40 EDAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CC(=O)N1CCOc2ccccc21 95948740 TYDQTVRCBYYYBT-CHWSQXEVSA-N 328.368 1.587 0 40 EDAB CCCc1cc(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)[nH]n1 95983541 HVHUCFNPDXCWRG-HNNXBMFYSA-N 331.420 1.926 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)C[S@@](=O)c2cccc(F)c2)C1 95966744 POXLUJQIBFWPSO-XMHCIUCPSA-N 326.393 1.060 0 40 EDAB CN(C[C@@H](O)C(F)(F)F)C(=O)NCc1cc(=O)[nH]c2ccccc12 95939457 HIIHQSHCVRUESE-GFCCVEGCSA-N 343.305 1.593 0 40 EDAB O=C(NCCN1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1)C1CCC1 95987272 PIGHKBIGFBCBJU-MOPGFXCFSA-N 343.471 1.179 0 40 EDAB Cc1nc2cc(C(=O)N3CCS(=O)(=O)[C@@H](C)[C@@H]3C)ccc2n1C 89721604 DLGBLFONRNOOEV-QWRGUYRKSA-N 335.429 1.529 0 40 EDAB Cc1cc(Br)cc(S(=O)(=O)NCc2noc(C)n2)c1 187344748 BPOAOSNCYPTVKH-UHFFFAOYSA-N 346.206 1.927 0 40 EDAB O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc[nH]n1 188975283 RWGAOWUGEKMLED-AWEZNQCLSA-N 334.326 1.609 0 40 EDAB CC1CC(C(=O)NCc2c[nH]nc2[C@H]2CCN(c3ncccn3)C2)C1 1039643108 VMFYXZDSOLLUNV-MOKVOYLWSA-N 340.431 1.856 0 40 EDAB FC(F)(F)c1ccc(N2CCN(CCC3OCCO3)CC2)nc1 123610729 LMZGLTZPLLMRDJ-UHFFFAOYSA-N 331.338 1.985 0 40 EDAB O=C(CC12CC3CC(CC(C3)C1)C2)NS(=O)(=O)c1cnccn1 152474278 AEURNMYINKZDDP-UHFFFAOYSA-N 335.429 1.888 0 40 EDAB Cn1ccnc1CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl 76991434 PFKCVQPWZCPHLM-UHFFFAOYSA-N 327.793 1.407 0 40 EDAB O=C(NCc1cnn2ccccc12)[C@@H]1CC12CCS(=O)(=O)CC2 557575832 CEJSVGDVWFKATA-ZDUSSCGKSA-N 333.413 1.165 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1ccc(NCCCO)c(C(=O)O)c1 217657951 BEQXDXACNULEJI-NSHDSACASA-N 344.433 1.646 0 40 EDAB CCc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CCO[C@@H]3C)CC2)n1 129399259 PHBCNNKGQWYNKL-YNEHKIRRSA-N 337.424 1.198 0 40 EDAB CC(C)Oc1ccc(C(=O)Nc2nc(S(C)(=O)=O)ns2)cc1 36626340 BRSDEBCTZWWZCO-UHFFFAOYSA-N 341.414 1.981 0 40 EDAB COCCNC(=S)Nc1nc(C)cc(Sc2ncccn2)n1 225899334 LCKIUUHUMXJVOE-UHFFFAOYSA-N 336.446 1.659 0 40 EDAB CCCn1nc2ccc(S(=O)(=O)N3CCC(C)CC3)cn2c1=O 49407926 RTSAYLWPVASAFO-UHFFFAOYSA-N 338.433 1.327 0 40 EDAB CCN(CC)C(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 224784174 QZKVDGQBZSZWQX-UHFFFAOYSA-N 342.461 1.747 0 40 EDAB O=C(NCCNC1CCCCCC1)c1ccc2c(c1)C(=O)NC2=O 575058177 HFZZHLQUDIMPML-UHFFFAOYSA-N 329.400 1.612 0 40 EDAB Cn1cncc1C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 571602737 KZVUGUFMCLGZKK-CYBMUJFWSA-N 340.362 1.563 0 40 EDAB C[C@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 225419322 FZCGYHZWIBRKHK-QCQGSNGOSA-N 341.411 1.631 0 40 EDAB O=C(NC1CC1)[C@H]1CCCN(C(=O)COc2ccc3c(c2)OCO3)C1 226746804 HPEHFYJHVNPANU-LBPRGKRZSA-N 346.383 1.311 0 40 EDAB C[C@@H](c1nnnn1C)S(=O)(=O)Cc1ccc(-n2cccn2)cc1 195577226 NALKQXLGOAUWLM-NSHDSACASA-N 332.389 1.072 0 40 EDAB O=C(NCc1cnc2n1CCN(Cc1nccs1)CC2)C1CCC1 96197061 SZRDYAIPLFNHME-UHFFFAOYSA-N 345.472 1.814 0 40 EDAB COc1cc(S(=O)(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)ccc1C(=O)O 530154243 RWEWRDAHCLSVFN-QSDJMHMYSA-N 343.401 1.484 0 40 EDAB CC1(C)CN(CCNS(=O)(=O)C2Cc3ccccc3C2)CCO1 97103196 NQWUZOYTPXAZCM-UHFFFAOYSA-N 338.473 1.184 0 40 EDAB Fc1cnc(N2CCC[C@]3(CN(Cc4ccncc4)CCO3)C2)nc1 96226583 XQOPVUXHNOBBRA-SFHVURJKSA-N 343.406 1.882 0 40 EDAB O=C(c1csnn1)N1C[C@H]2C(=O)N(Cc3ccncc3)CC[C@H]2C1 96082030 HMQCKVYFTPQANB-QWHCGFSZSA-N 343.412 1.054 0 40 EDAB C[C@@](O)(CNC(=O)c1cccnc1-n1cccn1)c1ccsc1 96450363 SGGHEAKLBGQMDH-MRXNPFEDSA-N 328.397 1.966 0 40 EDAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(CCc3ccccc3)C[C@H]12 96185461 BUUJLDHHUNOMJP-YESZJQIVSA-N 338.473 1.115 0 40 EDAB COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 96043427 UIMOTVTYLQKQFD-KZNAEPCWSA-N 332.444 1.676 0 40 EDAB CC(C)Cn1cc(C(=O)N2CCn3c(O)nnc3C2)c(C(F)F)n1 579435740 PSBQVQFFLFVFOU-UHFFFAOYSA-N 340.334 1.430 0 40 EDAB Cc1ncoc1C(=O)N1CCOC[C@@H]1c1nccc(NCC2CC2)n1 96219385 LTLABEJGASUCFI-CYBMUJFWSA-N 343.387 1.809 0 40 EDAB CC(=O)N1CCO[C@@H]2CN(C(=O)COc3ccccc3)CC[C@@H]2C1 96249865 VSQKLVLJSURPCF-NVXWUHKLSA-N 332.400 1.161 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3c2cnn(C)c2)o1 96186506 UKDXUAXWDOHXML-KBPBESRZSA-N 328.372 1.732 0 40 EDAB O=C1CO[C@]2(COCCN(CC3CC3)C2)CN1c1ccc(F)cc1 96051319 PMAZQODNHANVLB-SFHVURJKSA-N 334.391 1.670 0 40 EDAB CCCS(=O)(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CCOCC1 96041659 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0 40 EDAB COc1ccc(S(=O)(=O)NCC[S@](=O)C(F)(F)F)c(C)c1 585115048 KFODNIIDCWOPOD-FQEVSTJZSA-N 345.364 1.550 0 40 EDAB O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1coc(CO)c1 585121211 INVKZNZFTDZJMM-AWEZNQCLSA-N 344.367 1.182 0 40 EDAB COCCOc1ccc(NC(=O)c2cc(=O)n(C)cn2)cc1Cl 585131965 KSFOKQYTTSRIFS-UHFFFAOYSA-N 337.763 1.711 0 40 EDAB Cc1ccn(CCC(=O)N2CCOC[C@H]2CCc2nccnc2C)n1 257274434 NLBCHNJOMNRIBQ-MRXNPFEDSA-N 343.431 1.540 0 40 EDAB Cc1nccc([C@H]2CCCN(C(=O)c3ccc(C)n(C)c3=O)C2)n1 257273340 NGDXQCLLKBCGSN-AWEZNQCLSA-N 326.400 1.812 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257293335 QPBGTYMASCDYCS-HNNXBMFYSA-N 329.404 1.670 0 40 EDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2ncoc2C)n1 257227048 FNJXBGVTLOFHSZ-CQSZACIVSA-N 329.360 1.386 0 40 EDAB CCOC(=O)c1cnn(C)c1NC(=O)c1ccnc(OCCOC)c1 253471860 GGGOCZGQNWMFBV-UHFFFAOYSA-N 348.359 1.269 0 40 EDAB O=C(O)C[C@H]1CCCN1C(=O)CNC(=O)c1cc2ccccc2[nH]1 262822404 AOTXNMPUBBLXLK-GFCCVEGCSA-N 329.356 1.363 0 40 EDAB CCc1nnc(NS(=O)(=O)c2cc(F)cc(C(=O)OC)c2)o1 451072544 GOPQOOYZISKTKU-UHFFFAOYSA-N 329.309 1.359 0 40 EDAB CCOC1(C)CN(C(=O)N[C@@H]2CCCc3cnn(CCOC)c32)C1 1615003415 GTVWBWDKJBXQQI-CQSZACIVSA-N 336.436 1.727 0 40 EDAB Cc1nc(N[C@H]2CCCNC2=O)c2cnn(-c3cccc(F)c3)c2n1 1615586036 PFENGOCEXWUJLE-AWEZNQCLSA-N 340.362 1.954 0 40 EDAB CC(C)(C)OC(=O)[C@H]1CCCN1Cc1cn(CCn2cccn2)nn1 600968170 OTVMFWRJCSLMGY-OAHLLOKOSA-N 346.435 1.481 0 40 EDAB CN1CCC[C@@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 585100504 LMMPIYONSLUNOC-LJQANCHMSA-N 329.444 1.893 0 40 EDAB O=C(Cn1cccn1)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585285727 REEJEHQPUCSLGF-SRCQZFHVSA-N 333.363 1.357 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccccc1C)[C@H]2C 585098370 XBAAOPHWYHBKQU-ZDUSSCGKSA-N 330.388 1.715 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)on1 46109628 GKGVWRNXGPMOGR-NTZNESFSSA-N 328.434 1.791 0 40 EDAB Cc1ccccc1C1(CNC(=O)N2CC[C@@H](C(N)=O)C2)CCOCC1 56948407 FERKAESIKBTVNK-OAHLLOKOSA-N 345.443 1.560 0 40 EDAB Cc1ccc([C@H](CNC(=O)CCN2C(=O)CCC2=O)N(C)C)cc1 67268548 TZCXVVNRNLHOMF-HNNXBMFYSA-N 331.416 1.253 0 40 EDAB CCN(CC(=O)N1CCC[C@@H]1C(=O)N1CCOCC1)c1ccccc1 69367850 OICKCXXNJUWTDG-QGZVFWFLSA-N 345.443 1.363 0 40 EDAB O=C(NCc1cc[nH]n1)NC[C@@H](c1cccs1)N1CCOCC1 69351192 JWMPZNTUZHTCRY-ZDUSSCGKSA-N 335.433 1.344 0 40 EDAB Cc1ccc(C(=O)NC2CCN(C[C@H](O)Cn3cccn3)CC2)s1 69844151 FOFJFXXJGOOFEZ-HNNXBMFYSA-N 348.472 1.508 0 40 EDAB c1cc(CCN2CCN(c3cc(-n4ccnc4)ncn3)CC2)ccn1 894842759 DRCVQDJXFOGXLW-UHFFFAOYSA-N 335.415 1.422 0 40 EDAB CON(C)C[C@H](O)Cn1cc(NC(=O)Nc2ccc(C)cc2)cn1 75143654 MOBPYNXGENMQCS-HNNXBMFYSA-N 333.392 1.690 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1C 583621322 PKBBCWWWUMMNPU-GJZGRUSLSA-N 345.374 1.484 0 40 EDAB O=C(NCc1ccccn1)c1cccc(C(=O)NCc2ccccn2)n1 5937031 IQHYZZVDTOTUHX-UHFFFAOYSA-N 347.378 1.732 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(C)C)cc1Cl 5977089 XVDWFHVXJYMFJX-SECBINFHSA-N 334.825 1.540 0 40 EDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@H](C2)N3C(=O)C(C)C)n1 12366399 UYKQUHGIKYKIME-MVVMVCHASA-N 333.432 1.482 0 40 EDAB C[C@@H](c1ccc(F)cc1)N(C)CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 12930893 JFLIUXGHAHHPJB-LRDDRELGSA-N 342.436 1.512 0 40 EDAB CCS(=O)(=O)N1C[C@@H](C(=O)NC2CCCC2)Oc2ccccc21 13678695 IMWXLHBLMTVAPX-HNNXBMFYSA-N 338.429 1.663 0 40 EDAB CC(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 17300531 SNJRAJHNLQMUOY-UHFFFAOYSA-N 346.836 1.499 0 40 EDAB CC[C@]1(C(=O)OC)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19500721 ZGXVQNNROBNADB-ZBYUQBLASA-N 334.347 1.023 0 40 EDAB CC(=O)N[C@@H]1CN(C(C)=O)C2(CCN(c3cc(C)nc(C)n3)CC2)C1 19704167 OBBHDQCNPOVIHD-INIZCTEOSA-N 345.447 1.189 0 40 EDAB O=C(c1ccsc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206907000 HIRHJUYXPIYTNV-UHFFFAOYSA-N 341.400 1.081 0 40 EDAB Cc1ncn(CC(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)c(=O)c1C 1888843820 DYIGQOUBLRESFK-GJZGRUSLSA-N 341.415 1.451 0 40 EDAB COc1cccc(NC(=O)NC2CN(C3CCOCC3)C2)c1OC 1888856740 BHWFBIIILZAZPC-UHFFFAOYSA-N 335.404 1.689 0 40 EDAB CCN=c1nc(N2CCN(c3nnc(C4CC4)s3)CC2)cc(C)[nH]1 1888863592 XAOHEFGUWFUEOF-UHFFFAOYSA-N 345.476 1.694 0 40 EDAB Cc1nc(-c2ccccc2)ccc1C(=O)OCCN1C(=O)CNC1=O 28184949 APPADPBSZHSTBS-UHFFFAOYSA-N 339.351 1.766 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 29114203 UZVCEDXEVLCOMF-KRWDZBQOSA-N 334.391 1.984 0 40 EDAB O=C([C@@H]1CCOC1)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@H]21 1565556501 LCNKGJXJTMUCDM-BRSBDYLESA-N 346.427 1.641 0 40 EDAB CCOc1ccc(N2C[C@H](NC(=O)NC[C@H]3CCCO3)CC2=O)cc1 4373648 SPJWCPFBTSFZJZ-CZUORRHYSA-N 347.415 1.669 0 40 EDAB O=C(NCCNC(=O)c1nc(-c2cccs2)no1)c1ccco1 12374883 IRKSBQOMGDDWNM-UHFFFAOYSA-N 332.341 1.551 0 40 EDAB Cc1cc(CN2CCC(C(=O)N3CCC3)(n3cccn3)CC2)n(C)n1 2055772878 PWHLNALHLOGRSZ-UHFFFAOYSA-N 342.447 1.149 0 40 EDAB COc1cc(OC)nc(N2CCC[C@H](COc3cnccn3)C2)n1 2298199219 GRKUPFJZZHLPNH-LBPRGKRZSA-N 331.376 1.579 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)c2ccco2)cc1F 75156319 UVCVIALBQUSDMT-CQSZACIVSA-N 329.349 1.613 0 40 EDAB NC(=O)c1cccc(C(=O)N2CCN(c3ccccc3O)CC2)c1 23081996 ZDFLPGRZHAKQHT-UHFFFAOYSA-N 325.368 1.454 0 40 EDAB CCn1c(N)c(C(=O)CN(C)[C@H](C)c2cccs2)c(=O)[nH]c1=O 40475910 SINYLCVGIRJOLY-SECBINFHSA-N 336.417 1.076 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)CN(C)c2ccccc2)c2ccccc2O1 40477516 XGLAFNHPYKMNGV-KRWDZBQOSA-N 339.395 1.663 0 40 EDAB Cc1cc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)no1 40553401 UTGVEVNMXRKITR-GFCCVEGCSA-N 337.357 1.149 0 40 EDAB COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2)c1 51357042 FAVFAVWJFIJVQG-UHFFFAOYSA-N 327.336 1.946 0 40 EDAB COc1ccc(-n2nnnc2SCC(=O)N2CCCC2)cc1OC 415266 JNKWEVCTDVEWPY-UHFFFAOYSA-N 349.416 1.394 0 40 EDAB COCCCN1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2 8393124 RTEGDVYCVMDDJL-AWEZNQCLSA-N 335.791 1.827 0 40 EDAB Cc1cc(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c(C)s1 46050703 PUGFYGMUTZISBC-GDBMZVCRSA-N 338.473 1.832 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc2[nH]c(=O)[nH]c2c1 8391250 TUHIZCVAUBOVEU-UHFFFAOYSA-N 338.323 1.220 0 40 EDAB Cc1ccc(C)c(OCC(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 101319612 KAVOMKCNAJTGHM-PYTWLRIVSA-N 340.379 1.521 0 40 EDAB COc1ccc(CCNc2c(NCc3ccccn3)c(=O)c2=O)cc1 101697308 RNVCZQAULIZAHF-UHFFFAOYSA-N 337.379 1.953 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1 32469403 YRFFEOUFHYQLRF-GFCCVEGCSA-N 338.429 1.236 0 40 EDAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC[C@H]1CCCO1 3007497 NGSKGHZLBPGYRP-LLVKDONJSA-N 327.340 1.438 0 40 EDAB Cc1cc(=O)[nH]c2nnc(SCC(=O)N(C)c3ccccc3)n12 4250001 YSLAKCVZZXPZKA-UHFFFAOYSA-N 329.385 1.481 0 40 EDAB CC(=O)Nc1ccc(NC(=O)COc2ccccc2C(N)=O)cc1 4341392 BPMRSYJMYWSNNS-UHFFFAOYSA-N 327.340 1.761 0 40 EDAB COCCCNC(=O)c1cn(Cc2c(F)cccc2Cl)nn1 4985631 SLPQUKLHWPACJB-UHFFFAOYSA-N 326.759 1.885 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCC(=O)Nc1cc(C)on1 69738453 LGCXSZXWAUFGBC-GJZGRUSLSA-N 334.420 1.787 0 40 EDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCCc1ccc(F)cc1 69737492 RDRCIMMKFVEJFC-MRXNPFEDSA-N 345.422 1.488 0 40 EDAB Cc1cnc(N2CCC[C@@]3(CO[C@H](C(=O)NCC4CC4)C3)C2)nc1 107230287 VZUGATBUMITXQR-YJBOKZPZSA-N 330.432 1.687 0 40 EDAB Cc1c(C(=O)N2CCC[C@@H](C(N)=O)C2)cnn1-c1ccccc1F 41907498 WMVAEWOKOOAZHM-GFCCVEGCSA-N 330.363 1.657 0 40 EDAB O=C(Nc1cnn(CC(F)(F)F)c1)N1CC[C@H](N2CC=CC2)C1 102716085 ZIFHDGBQDUIRCN-LBPRGKRZSA-N 329.326 1.923 0 40 EDAB CCCOc1ccc(S(=O)(=O)NC[C@H](C)N2CCOCC2)cc1 47454488 QMTJQHWFACPGKG-AWEZNQCLSA-N 342.461 1.474 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)C1 106933594 INGGGXHTVKVKEX-CSMYWGQOSA-N 334.391 1.983 0 40 EDAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C)c1 24089645 LAPYPVUTABZVOE-RDTXWAMCSA-N 332.400 1.764 0 40 EDAB Cn1nc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1=O 24650681 LDWDMBGDOVHMRD-UHFFFAOYSA-N 329.400 1.887 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(c2ncnc3ccccc23)CC1 24894327 VCFJEYINJOBMMR-ZDUSSCGKSA-N 325.416 1.419 0 40 EDAB O=C(CN1CCC[C@@H]1Cc1ccccc1)N[C@H]1CCCCNC1=O 106511570 PDYKVNBLOLGQGE-SJORKVTESA-N 329.444 1.478 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)CN1C(=O)N[C@H](C(C)C)C1=O 25008308 XUHJXYLZSRFIKO-XHDPSFHLSA-N 333.388 1.449 0 40 EDAB O=C(Cc1ccc(Br)cc1)N1CCN(CCO)CC1 35107088 TVKOCPRAICNFLQ-UHFFFAOYSA-N 327.222 1.128 0 40 EDAB O=C(CCn1cnnn1)OCC(=O)c1ccc(Br)cc1 20457422 FIMCOFHCKSISMP-UHFFFAOYSA-N 339.149 1.252 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@H]2CCCCN2C1 108093950 GPBOVNOZHADSEL-KURKYZTESA-N 342.439 1.987 0 40 EDAB OCCN(CCO)C[C@H](O)CN(c1ccccc1)c1ccccc1 1753823 HTMYDRATGWUHEP-IBGZPJMESA-N 330.428 1.472 0 40 EDAB CS(=O)(=O)c1ccc(N2CCCCCC2)c(S(C)(=O)=O)c1 12542290 VGPSARWDZAIASW-UHFFFAOYSA-N 331.459 1.874 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)NCCCC(N)=O)c(Br)c1 44524494 SZZHTBAQBCAPIC-SNVBAGLBSA-N 343.221 1.907 0 40 EDAB O=C([C@@H]1CCCN1Cc1cn2cccnc2n1)N1CCSCC1 109064277 UOVGUHUUFACCBO-AWEZNQCLSA-N 331.445 1.269 0 40 EDAB NC(=O)NC(=O)CN1CCC[C@H]1[C@H]1CCCN(Cc2ccccc2)C1 58006973 ONWDBBYWDFZNKM-IRXDYDNUSA-N 344.459 1.558 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)C2(c3ccc(F)cc3)CC2)CC1 44778347 CDZYXAKWVJBJII-UHFFFAOYSA-N 340.420 1.398 0 40 EDAB CN(C)CCN1CCC(CNC(=O)c2cc(-c3ccco3)on2)CC1 58154369 REWBWFLKHSEUQW-UHFFFAOYSA-N 346.431 1.938 0 40 EDAB Cc1cc(NC(=O)NCCN2CCN(Cc3ccccc3)CC2)no1 44889719 CCXROTSDUCENJI-UHFFFAOYSA-N 343.431 1.922 0 40 EDAB O=C(OCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccco1 24658795 CWRKAQKUVHNTRK-UHFFFAOYSA-N 348.380 1.483 0 40 EDAB CCn1c(C2CCN(C(=O)[C@@H](N)CC3CCCC3)CC2)nn(C)c1=O 67654171 WRGDASJSUNDXRM-HNNXBMFYSA-N 349.479 1.215 0 40 EDAB Cn1ncc2c(=O)n(Cc3noc(-c4ccc(Cl)cc4)n3)cnc21 45103557 BZKJNMFZQNJFOG-UHFFFAOYSA-N 342.746 1.882 0 40 EDAB Cc1ccc2[nH]c(C)c(CC(=O)NC[C@@H]3CCS(=O)(=O)C3)c2c1 45348155 JLVNIMFLLCIHGE-ZDUSSCGKSA-N 334.441 1.878 0 40 EDAB CCOc1cc(S(=O)(=O)NCCOC)ccc1Br 36636346 RNCVIJOLLJGLKB-UHFFFAOYSA-N 338.223 1.773 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(OC(F)F)c(Cl)c1 12765799 DVEMKGNJABNUOI-UHFFFAOYSA-N 345.689 1.430 0 40 EDAB CN(CCOc1ccc(Br)cc1)CCC(=O)NC(N)=O 11229594 YWMUMINOSDHEGU-UHFFFAOYSA-N 344.209 1.345 0 40 EDAB Cc1sc2ncn(CCC(=O)NC[C@H]3CCCO3)c(=O)c2c1C 48251874 XLQJZKTZIHZCPX-GFCCVEGCSA-N 335.429 1.760 0 40 EDAB C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccc(Cl)s1 48303386 ZHPLCIVIJDCZGF-QMMMGPOBSA-N 341.824 1.572 0 40 EDAB NC(=O)c1csc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1 92076166 ZMQJIKWQEJZYGY-OAHLLOKOSA-N 329.425 1.910 0 40 EDAB COCCN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccncc1 69816711 OMRYBTIRRBEGGV-HUUCEWRRSA-N 345.399 1.236 0 40 EDAB COc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc(Cl)c1OC 69875160 VSGDLXZWXNPJCT-LLVKDONJSA-N 342.823 1.496 0 40 EDAB C[C@H](COc1cccc(F)c1)NC[C@H]1CNc2c(C(N)=O)cnn2C1 69849015 WNHYAVLDSZMNBA-NEPJUHHUSA-N 347.394 1.220 0 40 EDAB CCCCC[C@@H](C)NC(=O)CS(=O)(=O)CCCCC(=O)N(C)C 69869669 RQRUWLINSHBTJX-CQSZACIVSA-N 348.509 1.745 0 40 EDAB Cc1nc(C2(NC(=O)CNC(=O)c3cccc(Cl)c3)CCC2)no1 69812742 QPARGQMNKJAKIF-UHFFFAOYSA-N 348.790 1.957 0 40 EDAB CC1CCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)CC1 13723641 BVXFUXPRJHAEIO-UHFFFAOYSA-N 341.411 1.980 0 40 EDAB CN1C(=O)N(C)C(=O)C2(Cc3cc(N)ccc3N3CCCC[C@H]32)C1=O 5209519 OMKZOOMMQXSTQA-AWEZNQCLSA-N 342.399 1.221 0 40 EDAB CN(CCCNC(=O)Nc1cnc2ccccc2c1)S(C)(=O)=O 65407501 YXKOOZZXXIOSNM-UHFFFAOYSA-N 336.417 1.638 0 40 EDAB CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1ccsc1)N(C)C 65493536 SWIFDUKWLRVFDA-CHWSQXEVSA-N 341.502 1.779 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCOCC1 14018142 XVEYTPIEEFPRKE-UHFFFAOYSA-N 338.429 1.836 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nnnn1-c1ccccc1 14118502 SQGUGGWNKCJFFY-INIZCTEOSA-N 334.383 1.075 0 40 EDAB O=C(CCc1nc2ccccc2o1)N1CCN(C(=O)C2CC2)CC1 8778391 JBMJLMCGGXBTMP-UHFFFAOYSA-N 327.384 1.841 0 40 EDAB Cc1c(CC(=O)NCCc2c[nH]cn2)c(=O)oc2cc(O)cc(O)c12 8791907 RBSQWHPPWYHLIF-UHFFFAOYSA-N 343.339 1.137 0 40 EDAB biogenic CC(C)Cn1c(CN2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C 5998188 LSTRCTXBFMQDMH-CYBMUJFWSA-N 347.463 1.464 0 40 EDAB COc1cccc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)c1 7716208 ZNHUHQGCKDBNSD-VULZFCBJSA-N 327.361 1.530 0 40 EDAB COc1cccc2c1OC[C@H](C(=O)N1CCn3c(C)nnc3C1)C2 71185272 DXCRBTHHXLQNOW-CYBMUJFWSA-N 328.372 1.189 0 40 EDAB C[C@@H](Cc1ccccc1F)NC(=O)NCC(C)(C)NS(C)(=O)=O 69082261 JBXITFUXVAMRJD-NSHDSACASA-N 345.440 1.384 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)N3CC[C@](O)(C(F)(F)F)C3)cc12 81607543 DKMWCOKJSRRJMS-CYBMUJFWSA-N 343.309 1.808 0 40 EDAB C[C@@H](OC(=O)[C@@H](C)N1CCc2ccccc2C1)C(=O)N1CCOCC1 70040139 KTGJVWDSCYCNEB-HUUCEWRRSA-N 346.427 1.224 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)N(C)CC(=O)NC(C)(C)C)c1C 9384732 PBKSXHDDGSMDFX-UHFFFAOYSA-N 337.420 1.795 0 40 EDAB COC(=O)Cc1c(C)nc2nc(COc3ccccc3)nn2c1O 9330855 VOERKJKRBXDUFL-UHFFFAOYSA-N 328.328 1.433 0 40 EDAB C[C@H](O)[C@@H]1CCCCN1Cc1cccc(S(=O)(=O)N(C)C)c1 71883601 LNQYYKOTCXJIGC-BBRMVZONSA-N 326.462 1.672 0 40 EDAB CCc1nnc2n1CCN(C(=O)Cn1c(CC)nc3ccccc31)C2 71864839 WXGUZVTYEMPBOC-UHFFFAOYSA-N 338.415 1.795 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCCC[C@H]2Cn2cc(C)cn2)cn1 71866168 YJSIKJUITSFJFW-HNNXBMFYSA-N 341.415 1.641 0 40 EDAB Cc1cnn(C2CN(CC(=O)NCCc3c[nH]c4ccccc34)C2)c1 71876766 MXVDXOIBIXWWOB-UHFFFAOYSA-N 337.427 1.888 0 40 EDAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(CC(N)=O)C1CCCC1 71839347 JLSPAPCOCLVUDT-JTQLQIEISA-N 326.343 1.989 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CN1C(=O)CSc2ccccc21 71829775 QBLADNQGZMEGSM-VXGBXAGGSA-N 347.440 1.238 0 40 EDAB CN(C)c1cccc(-c2nnc(SCc3nccn3C)n2N)c1 71914317 FJJANSLRRAODDT-UHFFFAOYSA-N 329.433 1.751 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCOCC1 75486087 VECWMINRWLJUTF-MRXNPFEDSA-N 332.448 1.239 0 40 EDAB O=C(COc1cc(F)ccc1F)N1CCN([C@H]2CCC[C@H]2O)CC1 72269653 MSRUWXGXFJRYGN-LSDHHAIUSA-N 340.370 1.401 0 40 EDAB CNS(=O)(=O)c1cc(/C=C/C(=O)NCC2(C)CC2)ccc1OC 72311411 FPKYHQWDFJHQLL-FNORWQNLSA-N 338.429 1.533 0 40 EDAB Cc1sc(Br)cc1S(=O)(=O)N1CCN[C@@H](C)C1 94870977 YCAKIWHRWJIHOK-ZETCQYMHSA-N 339.280 1.801 0 40 EDAB C[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@H]1N(C)C 76050581 TUEGYMWYBWAMLN-ZYHUDNBSSA-N 331.338 1.276 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)CCCc3nc(C)no3)CCO2)n1 76046085 MZZADRVUEQSRLE-LBPRGKRZSA-N 348.407 1.371 0 40 EDAB CCCN1C[C@@H]2[C@H](C1)[C@H](NC(=O)c1cccs1)CCS2(=O)=O 306123220 AHOCAHIUZXIUKU-YRGRVCCFSA-N 342.486 1.375 0 40 EDAB O=C([C@@H]1C[C@H]1c1cccnc1)N1CCC(CN2CCOCC2)CC1 84422084 IEINITQTPWZJIC-ZWKOTPCHSA-N 329.444 1.756 0 40 EDAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1c(C)nn(CCO)c1C 84736272 VZZYXXZOYAQISN-QAPCUYQASA-N 348.491 1.619 0 40 EDAB CCn1cc(S(=O)(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cn1 95433423 WSCQDFQWMWLVFA-NSHDSACASA-N 341.355 1.227 0 40 EDAB Cc1nc(COc2ccc(C(=O)N3C[C@@H](C)[C@@H](N(C)C)C3)cc2)no1 78894757 RTPLAUXOSBVWKX-WBMJQRKESA-N 344.415 1.979 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C4OCCO4)C=C[C@H]3O2)c(C)c1 409288987 DGOHCJHZRVLPOS-DEXNDLTESA-N 341.363 1.489 0 40 EDAB COc1nc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc2ccccc12 79085251 UDQRZUARKZKIRJ-DGCLKSJQSA-N 327.384 1.969 0 40 EDAB COc1ccc(C)cc1N1C[C@H](C(=O)NCc2ccnn2C)CC1=O 73746209 NBCCHFUPEFBHHD-CYBMUJFWSA-N 342.399 1.406 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CNc1ccc(-n2cncn2)cc1 79017407 ATECDYFCOUEADR-UHFFFAOYSA-N 325.376 1.668 0 40 EDAB Cc1cc2ncnc(N3CCCN(S(C)(=O)=O)CC3)c2cc1C 95945035 TZQVKBXXJOXMRC-UHFFFAOYSA-N 334.445 1.718 0 40 EDAB CS(=O)(=O)CCCC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 95964234 YDIZVHVTNOBOPI-CYBMUJFWSA-N 344.864 1.860 0 40 EDAB C[C@@H](NC(=O)Cn1cnnn1)c1noc(-c2ccc(Cl)cc2)n1 79606552 YIWGQKBXAJNEGE-MRVPVSSYSA-N 333.739 1.254 0 40 EDAB CN1CCN(C[C@H](O)CN(C)C(=O)c2cccc(F)c2Cl)CC1 89382674 YBUIIJBJBHEGCQ-GFCCVEGCSA-N 343.830 1.159 0 40 EDAB Cc1nc(CNC(=O)N2CCNC(=O)C2)oc1-c1ccc(Cl)cc1 89558449 DMPOGWGEHVLZBG-UHFFFAOYSA-N 348.790 1.945 0 40 EDAB CS(=O)(=O)CCNC(=O)NCc1ccc(Br)cc1 75134130 HVZZMUZEMYSDHN-UHFFFAOYSA-N 335.223 1.293 0 40 EDAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCO)cc1 408675866 LKDYOFKJIWZLKF-UHFFFAOYSA-N 338.363 1.906 0 40 EDAB CC(C)COC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)c1ccccc1 409003931 VZDMCPSAQFFVTB-JSGCOSHPSA-N 335.404 1.490 0 40 EDAB CCc1nnc(CN2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)o1 548336289 FKRXVEWUFMKKMB-HNNXBMFYSA-N 335.433 1.634 0 40 EDAB O=C(O)[C@H]1CS[C@@H](Cc2cccc(Br)c2)C(=O)N1 62712294 LWYBTSVQTZRYHM-ZJUUUORDSA-N 330.203 1.676 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)c1ccsc1)Cc1ccccn1 556773093 DDWZNUZGHOZOBK-SNVBAGLBSA-N 326.399 1.365 0 40 EDAB O=C(NCC1CCOCC1)c1c(-n2cnnn2)sc2c1CCC2 524735265 MQMAKGPDBNBROH-UHFFFAOYSA-N 333.417 1.369 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCn1cccc1 524731668 GSXANVPHPPDNKU-KRWDZBQOSA-N 325.412 1.968 0 40 EDAB biogenic Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CCC(=O)N1Cc1ccco1 72239553 QQSCCUVOLDXNLT-INIZCTEOSA-N 344.415 1.780 0 40 EDAB Nc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)nn1 72387404 YHJKFZWRDDFJFP-LBPRGKRZSA-N 333.417 1.097 0 40 EDAB CNC(=O)c1ccccc1NCCOc1ccc(S(N)(=O)=O)cc1 32851037 WEXWQLOSKWDXEJ-UHFFFAOYSA-N 349.412 1.185 0 40 EDAB NC(=O)[C@@H]1CN(c2ccc3cc(Br)ccc3n2)CCO1 77214300 FEYQQECUZMRXKK-LBPRGKRZSA-N 336.189 1.688 0 40 EDAB CCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOCC 217414504 DWHCXJJCUBRIIS-UHFFFAOYSA-N 344.433 1.912 0 40 EDAB COC[C@H](NS(=O)(=O)c1ccc(C(=O)O)cc1C)c1ccco1 567798665 SZCUBZUQKNUDQY-LBPRGKRZSA-N 339.369 1.952 0 40 EDAB CC1(C)C[C@H](NC(=O)Cn2nc3c(cc2=O)CCCCC3)CCO1 72404787 JZCKBBRIJDOSJM-CQSZACIVSA-N 333.432 1.586 0 40 EDAB O=C(Cc1cccs1)N1CC(c2nc(-c3ncccn3)no2)C1 49482955 OEFFUVDEGCEHBL-UHFFFAOYSA-N 327.369 1.757 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCN(C[C@H]2CCC=CO2)CC1 193622427 NGEUUMAWCNWSEK-QGZVFWFLSA-N 336.457 1.827 0 40 EDAB O=C(CNC(=O)C1CCCCC1)NCc1nnc2n1CCCCC2 40489521 IDRQPJPWMZNNFK-UHFFFAOYSA-N 333.436 1.317 0 40 EDAB Cc1nn(-c2ccccc2)cc1-c1cc(=O)[nH]c(N2CCOCC2)n1 40385459 GWWWXRRTRDXTTJ-UHFFFAOYSA-N 337.383 1.768 0 40 EDAB COc1ccc(O[C@H]2COCCN(C(=O)c3cc(C)on3)C2)cc1 85435993 STFJKWJWZWCUDQ-OAHLLOKOSA-N 332.356 1.912 0 40 EDAB biogenic,in-vitro Cc1[nH]ccc(=NC(=O)N2CC[C@@](C)(C(=O)O)C2)c1Br 572346916 DFZARFSVOSVZFU-CYBMUJFWSA-N 342.193 1.903 0 40 EDAB CCOC(=O)c1cnc(SCc2cn3cccnc3n2)nc1N 44923713 COGSIOJNRRYLKZ-UHFFFAOYSA-N 330.373 1.571 0 40 EDAB CC(C)[C@@H](NC(=O)Cc1cccc(F)c1F)C(=O)N1CCOCC1 87377145 OBFRSBARCDWMAF-MRXNPFEDSA-N 340.370 1.507 0 40 EDAB CCN1CCN(C(=O)Cn2cc(COc3cccc(F)c3)nn2)CC1 227169805 ZCFCDWJJNGKTSP-UHFFFAOYSA-N 347.394 1.160 0 40 EDAB O=C(c1ccncc1F)N1CC[C@H]2[C@H]1CCN2CC1CCOCC1 96184469 XHQDBYCYNCBCPY-DLBZAZTESA-N 333.407 1.936 0 40 EDAB C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)CN1C1CC1 531484039 XOUCZZYEZQDKTB-OSFYFWSMSA-N 343.493 1.267 0 40 EDAB Cn1nc(C2CC2)nc1CN1CCC[C@@H]1C(=O)NCc1ccco1 577746182 IYYHCZKLGYLXPS-CQSZACIVSA-N 329.404 1.566 0 40 EDAB O=C1C[C@H](c2ccccc2)C2(CCN(C(=O)[C@@H]3CCOC3)CC2)N1 96069693 PHDALMHWVVYQIM-HZPDHXFCSA-N 328.412 1.688 0 40 EDAB CCc1oc(C(=O)OC)cc1Cn1c(-c2cccnc2)noc1=O 96455506 PWLLWLWGNOQTBV-UHFFFAOYSA-N 329.312 1.889 0 40 EDAB CCCNC(=O)[C@@H]1CN(Cc2n[nH]c(CC)n2)c2ccccc2O1 97096347 COLPBHHIZKEKQZ-AWEZNQCLSA-N 329.404 1.661 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]3C2=O)cs1 96245110 SNHWRIVWVLDBBE-ZFWWWQNUSA-N 331.445 1.275 0 40 EDAB O=C(Cc1noc(C2(C(=O)NC3CC3)CCC2)n1)NC1CCCC1 96449327 GBEVQNXBPLBLDW-UHFFFAOYSA-N 332.404 1.371 0 40 EDAB COC[C@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)O1 96186622 CJWWCFGFHLWVLB-SNPRPXQTSA-N 329.393 1.783 0 40 EDAB COCCN1C[C@@H](C)[C@@]2(COCCN(C(=O)Cc3ccccc3)C2)C1 96202385 RHDSRYANFMXOQW-XLIONFOSSA-N 346.471 1.672 0 40 EDAB Cc1nccn1Cc1ccc(NC(=O)N[C@@H]2CCN(C)C2=O)cc1 96415961 VYPUQFQAPRFHIO-OAHLLOKOSA-N 327.388 1.592 0 40 EDAB COc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)cc1 96184162 UEOUSYLRIBPGBQ-DLBZAZTESA-N 326.400 1.809 0 40 EDAB O=C(NCC(=O)N1CCc2ccccc2[C@@H]1CO)c1cccc(F)c1 97097737 NFXHYGULUNXEPU-KRWDZBQOSA-N 342.370 1.674 0 40 EDAB Cc1cccc(CN2CC[C@H]3[C@H]2CC(=O)N3CCN2CCOCC2)c1 96183970 ZJYCEPPSQNDYIF-RBUKOAKNSA-N 343.471 1.502 0 40 EDAB Cn1cc(CN2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)cn1 248136955 OVWWKDRAUJBMEU-ROUUACIJSA-N 327.432 1.685 0 40 EDAB CCO/C=C/[C@@](O)(CNC(=O)NCC(C)(C)OC)C(F)(F)F 585137818 USSWHHDYUVGROI-NNNHXZLVSA-N 328.331 1.554 0 40 EDAB NC(=O)c1ccc2c(n1)N(C(=O)CSC[C@H]1CCCCO1)CCC2 585114354 MUUHAFYKPFNLNO-CYBMUJFWSA-N 349.456 1.762 0 40 EDAB Cc1nccn1-c1ccnc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 257334879 YHTLCEJRZBTNEZ-AWEZNQCLSA-N 349.460 1.562 0 40 EDAB COC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cn1 585136778 SEHVTEJGFTUMKC-GFCCVEGCSA-N 333.388 1.131 0 40 EDAB Cc1nc(C[C@@H]2CCCN(Cc3cscn3)C2)cc(C(N)=O)n1 257201850 AJHBTRFIJDNLDH-LBPRGKRZSA-N 331.445 1.795 0 40 EDAB C[C@@H](Cc1ccccc1F)NC(=O)[C@H](CO)NC(=O)c1ccccc1 252484285 FTOHZTARPVAHKO-GUYCJALGSA-N 344.386 1.664 0 40 EDAB Nc1cnc(C[C@@H]2CCCN(C(=O)CCCn3ccnc3)CC2)cn1 257308458 TWTOITBJLITWNM-OAHLLOKOSA-N 342.447 1.907 0 40 EDAB Cc1nonc1CC(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 257240863 HVMNOAGFZZYCMQ-INIZCTEOSA-N 331.376 1.443 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(C(=O)c3ccncn3)CCO2)ccn1 257212791 CEYRBKVIZCXXLZ-HNNXBMFYSA-N 341.415 1.411 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)CCn2ccc(C)n2)C1 257208710 BNJAEFPFUUYUQX-HNNXBMFYSA-N 342.447 1.895 0 40 EDAB O=C(N[C@@H]1CCCNC1=O)c1ccnc(Cc2cccc(F)c2)c1 257329165 XITRCIHQERFFII-MRXNPFEDSA-N 327.359 1.820 0 40 EDAB CN(CC(=O)N1CCOC[C@H](Cc2cc(O)ncn2)C1)C1CCCC1 257287601 PQQQAJXCHDZVNZ-CQSZACIVSA-N 348.447 1.074 0 40 EDAB CNC(=O)c1cn[nH]c1[C@@]1(C)CCCN(C(=O)c2ccncc2C)C1 257240313 HSZCHEAJIJKXIY-SFHVURJKSA-N 341.415 1.667 0 40 EDAB O=S(=O)(c1cc(F)cc(F)c1)N1CCN(C[C@@H](O)C2CC2)CC1 85467120 UMGNMFRAMYQTJD-OAHLLOKOSA-N 346.399 1.042 0 40 EDAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](CO)C(C)C)n2)cc1 606440504 YESNCJSWFSSQRW-INIZCTEOSA-N 345.399 1.052 0 40 EDAB Cn1nccc1COCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 284233001 JIIXQBVGZOCIBP-INIZCTEOSA-N 340.427 1.948 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NCCO 1615605898 MDWDBEJSHJTIII-GFCCVEGCSA-N 336.454 1.078 0 40 EDAB Cc1nc[nH]c1C(=O)N1Cc2ccnn2[C@H](COc2ccccn2)C1 575404419 BWLKXNTZYIUUHU-AWEZNQCLSA-N 338.371 1.586 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)Cn3ccnc3)CCO2)c1 585276596 QEQHGWKFWFOZAS-GOSISDBHSA-N 329.400 1.024 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2cccc(C)n2)Cc2ccnn21 585111882 IDSUJUPCSOTFIO-MRXNPFEDSA-N 349.460 1.083 0 40 EDAB Cc1noc(C)c1C(=O)N1C[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 585107716 ZZXWBCWWZWLLKE-HZPDHXFCSA-N 342.399 1.412 0 40 EDAB CO[C@@]1(COc2ccccc2)CCN(C(=O)c2cc(C)nc(O)n2)C1 585277917 XOMURAVNCLGABC-SFHVURJKSA-N 343.383 1.801 0 40 EDAB COCc1nnc2n1CCN(C(=O)c1cccc3c1OCCO3)[C@@H]2C 585096891 FAZWTQJDBKTQHS-LLVKDONJSA-N 344.371 1.413 0 40 EDAB O=C(/C=C/CN1CCOCC1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 585291724 SJZHYJADKKEBQY-AXHCFYFUSA-N 344.455 1.327 0 40 EDAB Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CN2CCCCC2)no1 585094596 DICRVLWIEWRVDX-CQSZACIVSA-N 343.431 1.770 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2c(s1)CCCC2 44356756 XDABBQUISINSDQ-JTQLQIEISA-N 329.447 1.384 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@@H](n3cccn3)C2)CN1Cc1ccco1 69349256 GOAPTNCZHFUOEB-HUUCEWRRSA-N 342.399 1.688 0 40 EDAB CC(C)NC(=O)CCNC(=O)C(C)(C)n1cc(Br)cn1 69351773 ORJZIJQSNBHXTL-UHFFFAOYSA-N 345.241 1.412 0 40 EDAB C[C@H](Cn1cncn1)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 97083881 OPGCXVKIBYZWEY-SNVBAGLBSA-N 335.774 1.830 0 40 EDAB CC(C)NS(=O)(=O)c1cccc(C(=O)OCc2cnn(C)c2)c1 98074115 LMGPSWJWOONLSX-UHFFFAOYSA-N 337.401 1.464 0 40 EDAB Nc1ccc(S(=O)(=O)Nc2nn(-c3ccccc3)nc2N)cc1 5582938 WMXZLKFVGVTVDE-UHFFFAOYSA-N 330.373 1.233 0 40 EDAB C[C@@](O)(C(=O)NCCc1nc(-c2ccncc2)n[nH]1)c1ccccc1 12114883 IQDORDAXQNBWPS-SFHVURJKSA-N 337.383 1.433 0 40 EDAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCCC3)nc12 12117668 PPMYKGIRNWWVJW-UHFFFAOYSA-N 327.388 1.483 0 40 EDAB Cc1nccn1CCNC(=O)c1ccnc(OCC2CCOCC2)c1 253473374 ULIUYCGZQRCQEK-UHFFFAOYSA-N 344.415 1.822 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)N1CCN(Cc2ccncc2)CC1 585149858 VZETXXHJEDXYMY-HOTGVXAUSA-N 344.459 1.134 0 40 EDAB O=C(COC(=O)[C@@H]1CCC(=O)N1)Nc1ccc(Cl)cc1Cl 3246335 AZKGKVRTHXIQDU-JTQLQIEISA-N 331.155 1.754 0 40 EDAB O=C(COC(=O)c1ccc2c(c1)OCCO2)NCc1cccs1 4925674 MKQAFNAOGPWNSY-UHFFFAOYSA-N 333.365 1.993 0 40 EDAB O=S(=O)(C1CC1)N1CCCN(c2ncnc3cnccc23)CC1 1888875840 MULVUOQRGYJQED-UHFFFAOYSA-N 333.417 1.029 0 40 EDAB CCC(CC)NC(=O)[C@@H]1C[C@]2(CO1)CN(Cc1cnc[nH]1)CCO2 2056226379 QCZROTIOXDDAFT-DOTOQJQBSA-N 336.436 1.074 0 40 EDAB CC1CC(C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)C1 1565553755 DNUWYXUOPBMOCW-ZOJXTTQQSA-N 342.443 1.377 0 40 EDAB O=C(NCc1ccco1)[C@@H]1C[C@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]2O1 1565550249 VREVFMZNYQJTEL-KCXAZCMYSA-N 343.383 1.544 0 40 EDAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NC3CCOCC3)C2=O)cc1 15084296 MFMUCENLPBWLGP-OAHLLOKOSA-N 346.383 1.264 0 40 EDAB COc1ccc(CNC(=O)c2c(O)nc3sccn3c2=O)cc1 16690007 SPQUGXMGKIXSOU-UHFFFAOYSA-N 331.353 1.400 0 40 EDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2cnn(C)c2C)C1 2055747581 JQYPYWFEGQDGEG-SFHVURJKSA-N 345.422 1.670 0 40 EDAB O=C(NCc1ccco1)C(=O)NC[C@@H](O)c1ccc(-c2ccco2)o1 1775966050 QILUOTIYGJSCAP-GFCCVEGCSA-N 344.323 1.599 0 40 EDAB Cc1ccc2nc(NC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)sc2c1 35597096 SGNPVWJXKMCPEJ-UHFFFAOYSA-N 344.396 1.861 0 40 EDAB Cc1cc(CCC(=O)N2CC(N3C(=O)CSC3=O)C2)ccc1F 585325476 SMKCRWIYCVSUEN-UHFFFAOYSA-N 336.388 1.973 0 40 EDAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccccc1C(N)=O 14031849 ZIBOMCIJHCHWEU-SNVBAGLBSA-N 344.396 1.326 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1Cc1cnn(-c2ccccc2)n1 40527741 LVGQTALLTRETQV-HNNXBMFYSA-N 329.385 1.195 0 40 EDAB COCCOc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cn1 40512037 ZRNUQVJDMBAVOI-HNNXBMFYSA-N 330.340 1.885 0 40 EDAB C[C@@H]1CCCCN1C(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 40548788 HHXNIECJCIINOM-DOMZBBRYSA-N 338.429 1.615 0 40 EDAB CC(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2nccn2C)CC1 29067699 VAJYVGYNCHNOTM-QGZVFWFLSA-N 340.427 1.884 0 40 EDAB COC(=O)c1ccc(CNC(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1 29122900 OQUUDNNJQUIIAK-IHRRRGAJSA-N 334.416 1.587 0 40 EDAB COc1ccnc(N2CCN(C[C@H](O)c3ccccc3)[C@@H](C)C2)n1 69738056 LPVIHGXWMSNBFA-HOCLYGCPSA-N 328.416 1.729 0 40 EDAB COCCOCC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 29769012 VLSQGKIUYQQGOF-OAHLLOKOSA-N 337.807 1.942 0 40 EDAB COc1ccc2nnc(CCCC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)n2n1 101369735 WPMVWUMURKBMIQ-MELADBBJSA-N 341.415 1.784 0 40 EDAB O=C(NCc1ccccc1)[C@@H]1C(=O)C(=O)N(Cc2ccccc2)C1=O 1622800 YLJZYSPLPXMFFK-HNNXBMFYSA-N 336.347 1.057 0 40 EDAB Cc1cc(Cl)ccc1S(=O)(=O)NCCNc1cnccn1 32433711 HISBLQFMMFQTOT-UHFFFAOYSA-N 326.809 1.829 0 40 EDAB CONC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C 32848432 HXNAVFWQNVCPQB-HNNXBMFYSA-N 336.413 1.820 0 40 EDAB Cn1ccnc1[C@@H]1[C@H](C(=O)O)CC(=O)N1CCc1ccc(F)cc1 69700026 TZBSNPSBEGQJFD-HIFRSBDPSA-N 331.347 1.776 0 40 EDAB COC(=O)c1nnn([C@H](C)C(=O)Nc2ccc(C)cc2)c1C(=O)OC 2686754 JDGMTRHFDCMGNN-SNVBAGLBSA-N 346.343 1.359 0 40 EDAB CC1CCC(NC(=O)COC(=O)CNC(=O)C2CCCCC2)CC1 8389695 CRIMUNIKZGFIGW-UHFFFAOYSA-N 338.448 1.921 0 40 EDAB COc1ccc(CCNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 32999952 GEYGOXOPQYFQIT-UHFFFAOYSA-N 338.363 1.894 0 40 EDAB Cc1cc(C)c(CN2CCC[C@@H](CNS(N)(=O)=O)C2)c(C)c1 69777826 CABQRMHFDJYAED-HNNXBMFYSA-N 325.478 1.617 0 40 EDAB O=C1OCC[C@H]1N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 52823007 FCLBOFHIFTYWNI-CYBMUJFWSA-N 326.755 1.552 0 40 EDAB O=S(=O)(CCN[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 69738330 AYCROROLAIYLRN-HNNXBMFYSA-N 346.456 1.509 0 40 EDAB C[C@@H](NC(=O)CC(F)(F)F)c1ccc(-n2cc(C(N)=O)nn2)cc1 53133905 UTHNYNOBCDYADM-MRVPVSSYSA-N 341.293 1.496 0 40 EDAB CCC(=O)N1CCC[C@H](C(=O)NCCNC(=O)c2ccccc2)C1 47209719 FENFPJNNCZMSRF-HNNXBMFYSA-N 331.416 1.181 0 40 EDAB CN(C)C[C@@H](CNc1ncnc2c1cnn2C)[C@H](O)c1ccccc1 42099611 JDYDZIQURNPSND-GDBMZVCRSA-N 340.431 1.687 0 40 EDAB Cn1nccc1CN1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108524641 AQPVUJCFGMHZIS-HNNXBMFYSA-N 342.447 1.836 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)C1 53894779 LNXGGHYEFWOUKD-LLVKDONJSA-N 342.374 1.448 0 40 EDAB CC(C)[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)N1CCOCC1 25327388 LZOSWKQZZUBMFC-HNNXBMFYSA-N 344.415 1.010 0 40 EDAB C[C@@H](NC(=O)NCCN1CCOCC1)c1ccc2c(c1)OCCCO2 47618227 KEPHPBVJINTCHB-CQSZACIVSA-N 349.431 1.540 0 40 EDAB NC(=O)CNC(=O)c1ccc(CNCc2ccc(F)cc2F)cc1 47799129 ITEZUXRZIQCDOL-UHFFFAOYSA-N 333.338 1.470 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccncc2)cc1 24434810 SORLOXDVQIGRJS-INIZCTEOSA-N 345.424 1.967 0 40 EDAB C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@@H](C)O1 47823920 HBAZFNAVCLLSOD-NXEZZACHSA-N 329.194 1.247 0 40 EDAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)Cn2c(=O)cnc3ccccc32)C1 55403015 AJJQJRHSLRILMF-HUUCEWRRSA-N 342.443 1.633 0 40 EDAB Cc1csc(N2CCN(CC(=O)NC3CCOCC3)C[C@H]2C)n1 106775827 YVBUMXZEPPAYLX-CYBMUJFWSA-N 338.477 1.257 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2cc3ccccc3[nH]c2=O)C1 25393846 DWJBTXLYJQEEMW-OAHLLOKOSA-N 343.427 1.615 0 40 EDAB CCOc1ccc(OC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1 24094680 YFXQRDSAYVHJDD-CYBMUJFWSA-N 348.399 1.690 0 40 EDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 26990824 CPRNKPIKKOWROI-NXEZZACHSA-N 346.836 1.498 0 40 EDAB CN(C(=O)NCCCOc1ccccc1F)[C@H]1CCS(=O)(=O)C1 44892360 CFWIOSBQOJKTAO-LBPRGKRZSA-N 344.408 1.423 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCCC2)cn1 44937215 CYQVIJTYVGEXEW-AWEZNQCLSA-N 338.433 1.519 0 40 EDAB C[C@@H](CO)NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 44967876 PMSWJFUEGBNIAX-AWEZNQCLSA-N 340.427 1.824 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 44935299 FRVKHJQUBABCMG-NSHDSACASA-N 344.337 1.175 0 40 EDAB CN1C[C@H](NS(=O)(=O)c2ccccc2OC(F)(F)F)CC1=O 58392372 YLGOSXAWDZHCAH-MRVPVSSYSA-N 338.307 1.094 0 40 EDAB COc1ccc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1OC 28013848 CKOXKENTGRDZJK-HNNXBMFYSA-N 336.432 1.790 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCCN1CCc2ccccc2C1 58406843 SDZXRXFMIGCBEA-UHFFFAOYSA-N 327.476 1.942 0 40 EDAB NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccccc2)CC1 2223417 ARXGRXQDLBXTCP-UHFFFAOYSA-N 344.459 1.431 0 40 EDAB Cc1ccccc1CCNC(=O)CN1CCN(c2ncccn2)CC1 36390076 DWKIFDDBGVPMGB-UHFFFAOYSA-N 339.443 1.266 0 40 EDAB O=C(COc1cccc(F)c1)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 10997000 WFDANIRYJVVVEY-UHFFFAOYSA-N 329.287 1.373 0 40 EDAB C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc(-n2ccnc2)cc1 12791792 QJSFHCMLHISFOX-LBPRGKRZSA-N 325.372 1.658 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)NCc1cccnc1N1CCOCC1 48252286 PSHKQGBJAWFWBS-CQSZACIVSA-N 344.415 1.942 0 40 EDAB O=C1CC[C@@H](C(=O)NCc2ccc(N3CCCCCC3)nc2)CN1 48265756 SVARQRYKALTKDP-OAHLLOKOSA-N 330.432 1.604 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 48302132 JAKJBPHQXFPUEQ-LBPRGKRZSA-N 329.322 1.928 0 40 EDAB Cc1csc(-c2cccc(NC(=O)CCNS(C)(=O)=O)c2)n1 69452225 SHPMSTTYPCSYHT-UHFFFAOYSA-N 339.442 1.996 0 40 EDAB CCc1noc(C)c1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69490009 HTVVBIHOBCQSFY-UHFFFAOYSA-N 331.420 1.627 0 40 EDAB Cc1ccnc2nc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)nn12 12937450 RDCQWHMWMGRFAV-UHFFFAOYSA-N 336.355 1.577 0 40 EDAB CCCCNC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 12999671 GOGFRIGJDJZQNQ-CQSZACIVSA-N 337.445 1.666 0 40 EDAB CC(C)CCN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 48794306 BDWFTHOCEBQSDY-UHFFFAOYSA-N 338.473 1.894 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)COc1ccc(C)cc1C(C)=O 13041809 JEYNFCSXBXEKQR-UHFFFAOYSA-N 334.416 1.950 0 40 EDAB C[C@H](CCc1ccco1)NS(=O)(=O)c1ccc(O)c(C(=O)O)c1 13198564 FDRAJLILOFPUOO-SNVBAGLBSA-N 339.369 1.983 0 40 EDAB O=C(Cn1cnnn1)NCCc1ccc(OCc2ccccc2)cc1 48942455 KOTDBFXLFHJTSL-UHFFFAOYSA-N 337.383 1.611 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CCN(C(=O)c2ccco2)CC1 38642141 HKPJZMMFOVMUOT-UHFFFAOYSA-N 342.380 1.883 0 40 EDAB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C)c1ccccc1 409003929 VZDMCPSAQFFVTB-GXTWGEPZSA-N 335.404 1.490 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)CO)c(Cl)cc12 13629570 ZEYZIZZQLOGCKF-VIFPVBQESA-N 325.748 1.631 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[C@@H](n2ccnc2C)C1 69899198 KGMFWTMFGILEAO-GXTWGEPZSA-N 327.450 1.568 0 40 EDAB CN1N=C(C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CCC1=O 69918503 IEWWWCLPFRBINP-SNVBAGLBSA-N 348.790 1.170 0 40 EDAB COCCN1CCN(CC(=O)N2CCC[C@@H]2c2ccsc2)CC1 69976701 PMWWFWLAKKQNJG-MRXNPFEDSA-N 337.489 1.676 0 40 EDAB O=C(COCCOc1ccccc1)N1CCC[C@H]1Cn1cccn1 69948481 LLKWAVRJUUAMIW-INIZCTEOSA-N 329.400 1.970 0 40 EDAB COC(=O)c1ccc(OC[C@H](O)Cn2nnc3ccccc32)cc1 4337332 QAKDRADLKGEDJG-CYBMUJFWSA-N 327.340 1.658 0 40 EDAB Cc1nc2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc2o1 14163367 VYQFLBZHKAXVMU-UHFFFAOYSA-N 337.401 1.746 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(Cl)cc1 8704346 GCBTVQUJPJOKAF-UHFFFAOYSA-N 343.770 1.660 0 40 EDAB C[C@H](NC(=O)NC[C@@H](C)N1CCc2ccccc2C1)c1nncn1C 65623119 ZRKMIJCMONNOGI-KGLIPLIRSA-N 342.447 1.622 0 40 EDAB CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)NC(N)=O 5430249 IXGREGYMKWDSFU-SNVBAGLBSA-N 333.417 1.564 0 40 EDAB NC(=O)c1ccccc1OS(=O)(=O)c1ccc2c(c1)OCCO2 6509187 LCWIJPNMQYRLOI-UHFFFAOYSA-N 335.337 1.324 0 40 EDAB CCc1nnc(NC(=O)[C@@H](C)Sc2nc(OC)cc(=O)[nH]2)s1 4999481 DBYASVDFISVNML-ZCFIWIBFSA-N 341.418 1.312 0 40 EDAB Cc1cccc(C)c1OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 7037972 PDJHKWYHERLNTP-UHFFFAOYSA-N 332.381 1.706 0 40 EDAB O=C(Nc1ccccc1OC(F)(F)F)C(=O)N1CCC[C@H](O)C1 80236263 UNHOXOQYCSDRIJ-VIFPVBQESA-N 332.278 1.507 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(F)c1 7248798 FHIIMXUSTASTKL-UHFFFAOYSA-N 341.364 1.690 0 40 EDAB COCCCNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 16200736 JIKLDSXIKACHHJ-UHFFFAOYSA-N 349.456 1.880 0 40 EDAB CC(C)[C@@H](C)NC(=O)COC(=O)CCS(=O)(=O)c1ccccc1 8185707 MYXIXICZGWHGEC-CYBMUJFWSA-N 341.429 1.554 0 40 EDAB CCSc1nnc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)s1 9315592 MDQXMWMUENCORX-UHFFFAOYSA-N 343.434 1.309 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)COC)cc1NC(C)=O 408592422 KIFBOFAVFGKWFQ-SNVBAGLBSA-N 330.406 1.357 0 40 EDAB O=C(NCCCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1 19831155 ZVZBCDGWRYIHOQ-UHFFFAOYSA-N 325.796 1.117 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)Cn2nnc(-c3ccccc3)n2)cn1 71796816 GIFUOAXJEKOGRJ-OAHLLOKOSA-N 337.387 1.437 0 40 EDAB Cc1ccc(-n2cccc2)c(C(=O)N2CCN(C[C@@H](C)O)CC2)c1 71871444 INBBAHBXYRGZAB-MRXNPFEDSA-N 327.428 1.924 0 40 EDAB O=C(NC1CC1)[C@H](NCC1CCN(CCO)CC1)c1ccc(F)cc1 71870948 ZDTMPLCTTYWVPE-GOSISDBHSA-N 349.450 1.439 0 40 EDAB NC(=O)CN(CCCS(=O)(=O)c1ccc(F)cc1)C1CCCC1 71824742 CUJZAOUVVCWKAN-UHFFFAOYSA-N 342.436 1.719 0 40 EDAB CCCCn1nnnc1CN(C)[C@@H]1CCCN(c2cccnn2)C1 71859734 PWMFDEOLIYJVAA-CQSZACIVSA-N 330.440 1.364 0 40 EDAB O=C(Cn1ccc2ccccc21)N1CCC[C@H](N2CCNC2=O)C1 71841644 AXOJOKCGMZIKAH-HNNXBMFYSA-N 326.400 1.658 0 40 EDAB CC(C)OCCC(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 71847612 ZFCLZBGNGRQJNZ-UHFFFAOYSA-N 346.353 1.959 0 40 EDAB COc1cc(CNC(=O)Cc2ccccc2F)ccc1OCC(N)=O 71814862 PBRQETPOBRGBEH-UHFFFAOYSA-N 346.358 1.557 0 40 EDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCC[C@H](C(=O)O)C2)CC1=O 96597734 OUCTUCFGEIZBEJ-KBMXLJTQSA-N 344.411 1.919 0 40 EDAB CCOC(=O)C1(O)CCN(C(=O)CCc2ccc(OC)cc2)CC1 71916623 JFWHNMLOCLZZEJ-UHFFFAOYSA-N 335.400 1.544 0 40 EDAB Cc1ccc(/C=C/CC(=O)Nc2ncn(CC(=O)N(C)C)n2)cc1 84148598 XZPSFYPUYPLNHW-SNAWJCMRSA-N 327.388 1.717 0 40 EDAB CCc1nc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)no1 97085660 WRSONAJHTFLLHU-UHFFFAOYSA-N 327.410 1.902 0 40 EDAB CCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3nccn3C2)cc1 72295314 FQEZKLBHONQXDH-AWEZNQCLSA-N 347.440 1.812 0 40 EDAB Cn1cc(/C=C/C(=O)NCC2(C(N)=O)CCOCC2)c2ccccc21 76065570 HWDIXIMMMLFOMM-VOTSOKGWSA-N 341.411 1.590 0 40 EDAB Cc1ccc(OC[C@H](O)CN2CCc3ncnc(N(C)C)c3C2)cc1 97202489 WNWLZGZYDCETAF-OAHLLOKOSA-N 342.443 1.649 0 40 EDAB CCCc1cc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n[nH]1 95394605 ZFDHUYBWSXEFMY-UHFFFAOYSA-N 341.371 1.394 0 40 EDAB CCc1nnc(O)c(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1CC 95447896 NYSIPGZFYHIKPG-HOCLYGCPSA-N 327.384 1.695 0 40 EDAB Cn1ccc(NC(=O)C[C@@H]2N=C(O)N(CCc3ccccc3)C2=O)n1 95480439 HDCVXFKWIYEUMM-ZDUSSCGKSA-N 341.371 1.116 0 40 EDAB COC[C@H]1CCCN(C(=O)C(=O)Nc2ccsc2C(=O)OC)C1 95461366 UHOCJFZEGSOVDC-JTQLQIEISA-N 340.401 1.358 0 40 EDAB CCO[C@H](C)c1noc(CN2CCN(c3nc(C4CC4)no3)CC2)n1 78508610 SJNPWCGZRMRRFJ-LLVKDONJSA-N 348.407 1.750 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 95948821 CVYDWBJYFOJNRK-AWEZNQCLSA-N 331.416 1.212 0 40 EDAB CCO[C@H]1C[C@H](NCCN2CCCS2(=O)=O)C12CCCCC2 95988033 MFHUJTBANCTQJI-GJZGRUSLSA-N 330.494 1.739 0 40 EDAB CCc1n[nH]c(=O)c(CNC(=O)COc2ccccc2F)c1CC 89282540 BCBYJBRRDXBVDF-UHFFFAOYSA-N 333.363 1.729 0 40 EDAB NC(=O)CO[C@H]1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 75093380 PSDYZEPSZLBHGR-SFHVURJKSA-N 338.407 1.999 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1ccc(-c2ccccc2)[nH]c1=O 75120433 ARQSTLYZMLMPRF-UHFFFAOYSA-N 335.367 1.510 0 40 EDAB O=C(Cc1n[nH]c2ccccc12)NC1(c2ncon2)CCOCC1 545186917 ZIKMQNKFZNEAOC-UHFFFAOYSA-N 327.344 1.311 0 40 EDAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CCOC[C@@H]1C[C@H](C)O 545242888 GAFFWXFIXDTOIF-IHRRRGAJSA-N 335.400 1.560 0 40 EDAB CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)CC(C)(C)C)cc1 67896914 LQAQLFFDYZLWOV-RHSMWYFYSA-N 334.416 1.952 0 40 EDAB biogenic,in-vitro CC(=O)N1CCN(C(=O)C(C)(C)c2ccc3c(c2)OCCO3)CC1 60215070 PAYXIBDVACHFHW-UHFFFAOYSA-N 332.400 1.426 0 40 EDAB COc1ccc(-c2noc(C[C@H]3CCS(=O)(=O)C3)n2)cc1OC 69895487 YXJIEXPWECQXAR-SNVBAGLBSA-N 338.385 1.731 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccn2)cc1 69526395 SSOXZBAHVBUCHI-UHFFFAOYSA-N 333.413 1.239 0 40 EDAB Cn1cncc1CC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 521483637 RLLSMMCVQYXADG-MRXNPFEDSA-N 327.363 1.741 0 40 EDAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC(C)C)cc1 408596268 RWNLHLKZVKGITK-ZDUSSCGKSA-N 342.461 1.913 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C2)oc1C 38489290 ABYRXFVCLHIMMY-UHFFFAOYSA-N 334.397 1.695 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CN)CO 218203967 GISYQPJWARCQMP-YNEHKIRRSA-N 348.262 1.287 0 40 EDAB O=C(c1ccccc1-n1c(=O)[nH]c2ccccc2c1=O)N1CCCC1 31814001 NZLICBOQIMLPHW-UHFFFAOYSA-N 335.363 1.915 0 40 EDAB CCN(C)S(=O)(=O)NCc1nn(-c2ccccc2)c2c1CCC2 72708358 CJNGFHWZZYGLFR-UHFFFAOYSA-N 334.445 1.647 0 40 EDAB CC(C)[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 188402392 ILVKZXRLPTUTDF-HOTGVXAUSA-N 338.473 1.988 0 40 EDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCc2cnn(C)c2)cc1 76871888 CIGRXUXNHNVGSX-INIZCTEOSA-N 327.384 1.963 0 40 EDAB CCN(CC)CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 72238054 YAQOMZAVSVAOTM-DLBZAZTESA-N 333.432 1.043 0 40 EDAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCOC 217464295 CVBZRAXZFQEESW-SNVBAGLBSA-N 330.406 1.520 0 40 EDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc(C2CC2)cc1 562966981 MYJJVZWIAHYYIN-IAQYHMDHSA-N 339.413 1.722 0 40 EDAB O=C1CCN(CC(=O)N(C2CC2)[C@@H]2CCc3ccccc32)C(=O)N1 214908171 JKULJNUPIYSYOE-OAHLLOKOSA-N 327.384 1.607 0 40 EDAB Cc1cnc(C[C@H]2COCCN(C(=O)CN3CCCCC3)C2)cn1 72388271 QIVXNEPAXAGXRF-MRXNPFEDSA-N 332.448 1.288 0 40 EDAB Cc1cc(Br)cc(C)c1NC(=O)CN(C)S(C)(=O)=O 45999487 KIVPLWIRLVRYGS-UHFFFAOYSA-N 349.250 1.896 0 40 EDAB COc1cccc(CCC(=O)N[C@H]2CCc3nn(C)c(=O)cc3C2)c1 225788493 UOLMCNUKLOBLLX-HNNXBMFYSA-N 341.411 1.395 0 40 EDAB Cc1cc2n(CCNC(=O)c3cccc4c3OCCO4)ccn2n1 225579397 CJTOZCPKSPZVHS-UHFFFAOYSA-N 326.356 1.645 0 40 EDAB C[C@@H](C(=O)NS(=O)(=O)c1ccc(F)cc1)N(C)CC(F)(F)F 225602496 PKDVPPVLRRNNAS-QMMMGPOBSA-N 342.314 1.513 0 40 EDAB Cn1cc(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cn1 225888132 SLHAKLWVQKCMAA-UHFFFAOYSA-N 328.401 1.727 0 40 EDAB CCCC(=O)NCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 47827451 HBZKPGQTUCNVJD-UHFFFAOYSA-N 335.389 1.092 0 40 EDAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1cccc(Cl)c1Cl 225962470 PRSZOVJZUAQNRV-UHFFFAOYSA-N 340.232 1.670 0 40 EDAB COc1ccc(-c2nc(Cn3ccnc3S(C)(=O)=O)co2)cc1 81272249 BJBWSYUEHPFFEY-UHFFFAOYSA-N 333.369 1.999 0 40 EDAB CO[C@@H](C)C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 190220630 DNBIERXCUWOBFD-QMMMGPOBSA-N 338.355 1.631 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1 229805345 NYBLCEBJJZSWRO-KBMXLJTQSA-N 336.363 1.019 0 40 EDAB Cc1cccnc1NC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1 85555948 FQHCGBYZOXMUAT-UHFFFAOYSA-N 327.388 1.339 0 40 EDAB Cc1c(S(=O)(=O)N2CCC(=O)C[C@H]2c2ccccc2)cnn1C 583651328 JRDXKLFFPYUIDC-HNNXBMFYSA-N 333.413 1.823 0 40 EDAB CN(CCCNC(=O)[C@@H]1Cc2cccc(F)c2O1)C(=O)C1CCC1 96425130 BLCPDCVKWPQKHF-HNNXBMFYSA-N 334.391 1.894 0 40 EDAB C[C@@H]1CN(Cc2ccsc2)C[C@@]12CCN(CC(=O)N(C)C)C2=O 96070301 YIYUKWGJRNNMNB-DYVFJYSZSA-N 335.473 1.507 0 40 EDAB Cn1cc(CN2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)cn1 96159157 JDCHJXUOFGOWPO-UHFFFAOYSA-N 346.456 1.880 0 40 EDAB CCn1cc2c(n1)[C@@H](COC)CN(C(=O)c1cc(C)nn1CC)C2 96198074 NUJWWIJCBKKTJC-CQSZACIVSA-N 331.420 1.814 0 40 EDAB CC[C@@H](Cc1ccc(NS(=O)(=O)N2CCOCC2)cc1)C(=O)O 330908943 DGHCSQNBCZEJSZ-ZDUSSCGKSA-N 342.417 1.329 0 40 EDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)N(C)C)C2 96050177 KYKNXBDBFIKBEX-SFHVURJKSA-N 344.415 1.008 0 40 EDAB C[C@@H](Cn1cccn1)Nc1ccc(CC(=O)N2CCOCC2)cc1 97095505 KYLIZOJTYBCXMQ-HNNXBMFYSA-N 328.416 1.785 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccncc3)C[C@@H]21)c1ccccc1 247414104 PZYFWGSWGLOKHG-GUDVDZBRSA-N 337.423 1.958 0 40 EDAB O=C(c1ccccn1)N1CC2(C[C@H](OCC3CCOCC3)CCO2)C1 247875887 NWNWSSHQMLKONY-MRXNPFEDSA-N 346.427 1.898 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CN(C2CCOCC2)Cc2cncn21 247500006 PMURLGYYUGKKJZ-KRWDZBQOSA-N 341.415 1.130 0 40 EDAB O=C(c1ncccn1)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 247862366 NBAFPFJVKKQFCW-AWEZNQCLSA-N 342.424 1.789 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C(=O)c3cc(C)on3)CCN2C)c1 257225573 FGTZZJHTAAUIAJ-MRXNPFEDSA-N 342.399 1.472 0 40 EDAB CNc1cc(CC[C@@H]2CN(C(=O)c3ccnnc3)CCO2)ccn1 257335128 YIUIQKUPKKLSJN-OAHLLOKOSA-N 327.388 1.387 0 40 EDAB CC(=O)N1CCC(Cc2ccccc2)(C(=O)NC2(C)COC2)CC1 257308506 TWYHYPFTIMSLHB-UHFFFAOYSA-N 330.428 1.763 0 40 EDAB CN(C)c1nccnc1[C@H]1CN(C(=O)CCCn2cccn2)CCO1 257338624 YYFSBJAWPWIEGW-CQSZACIVSA-N 344.419 1.119 0 40 EDAB CCOC(=O)c1cn(CCNC(=O)c2ccn(C(C)(C)C)n2)cn1 594351731 ZAMMNXWUEZSHRM-UHFFFAOYSA-N 333.392 1.441 0 40 EDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)[C@H]1CCCC[C@H]1OC)CC2 1614519242 GSZWQJASGSMBGN-MJBXVCDLSA-N 345.461 1.549 0 40 EDAB Cc1cccc(N2CCN(CCNC(=O)N3CC[C@H]3CO)CC2)c1C 1614999069 LLIMRFIIMWTYPC-KRWDZBQOSA-N 346.475 1.202 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)NCCn2cccnc2=O)s1 1615615558 YRKXRWQLDVUVIK-UHFFFAOYSA-N 341.458 1.581 0 40 EDAB CC(C)(C)OC(=O)NC1(CCN[C@H]2C(=O)NCC2(C)C)CCC1 1616038374 RZOVHTDVIKNRPV-LBPRGKRZSA-N 325.453 1.938 0 40 EDAB CCCCC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cscn3)[C@H]2C1 575403810 JVSVUYSLVXADJS-OUCADQQQSA-N 337.445 1.537 0 40 EDAB CCOCc1nnc(NS(=O)(=O)c2ccc(C)c(F)c2F)o1 585124144 UNOUOINSVABWCE-UHFFFAOYSA-N 333.316 1.994 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccc3ncccc3c2)CCN(C(C)=O)C1 585178738 BOVAVMLAPPDALC-QGZVFWFLSA-N 340.427 1.261 0 40 EDAB COC[C@@]1(CC(=O)N(C)C)CN(Cc2c[nH]c3ccccc23)CCO1 585278596 UZMNMZPOELXQAQ-LJQANCHMSA-N 345.443 1.864 0 40 EDAB Cc1noc([C@H]2CCC3(CCN(C(=O)Cc4ccn(C)n4)CC3)O2)n1 585113441 HWJSRNRTSHRWKF-CQSZACIVSA-N 345.403 1.567 0 40 EDAB CC[C@@H](C)N1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 585100730 UXAXLPUBSLEUFS-GDBMZVCRSA-N 330.494 1.677 0 40 EDAB C[C@H](NC(=O)CCN1CCC(N2CCNC2=O)CC1)c1ccccc1 52217382 OLYAINQCLUXUTE-HNNXBMFYSA-N 344.459 1.744 0 40 EDAB COc1ccc(COC[C@@H](O)Cn2nnc(-c3cccnc3)n2)cc1 58264531 NGOWNVLUVNDTTB-HNNXBMFYSA-N 341.371 1.321 0 40 EDAB COc1ccc(CC[C@@H](C)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 67069118 RQOPJKKJNAMUSB-UKRRQHHQSA-N 339.457 1.957 0 40 EDAB Cc1nnc(S[C@H](C)C(=O)c2ccc(F)cc2F)n1CC(N)=O 68056011 CXPVGOYYZKNBKT-SSDOTTSWSA-N 340.355 1.714 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NCCCNC(=O)c1ccccc1 69350618 AMQQTPTXFJIEQR-CQSZACIVSA-N 329.404 1.391 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccn2)C1=O)c1ccco1 69740184 UJKOHVHSXPKRAM-GTNSWQLSSA-N 342.355 1.319 0 40 EDAB C[C@](O)(CNC(=O)CC1(N2CCOCC2)CCCC1)c1ccco1 81835201 MGFTVQCMPXFMAP-KRWDZBQOSA-N 336.432 1.638 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc2n(C)c3ccccc3n2c1=O 12117768 WVSOOEGZOJATNO-CHWSQXEVSA-N 341.415 1.777 0 40 EDAB Nc1cc(-c2ccco2)nn(CC(=O)NCc2ccccc2F)c1=O 12146672 QXWUFJSZMNBFSC-UHFFFAOYSA-N 342.330 1.541 0 40 EDAB Cc1occc1-c1nn(C2CCN(C(=O)[C@@H]3CCCO3)CC2)c(=O)o1 12182913 YSWVYCFFSYSTMF-AWEZNQCLSA-N 347.371 1.747 0 40 EDAB CCOc1cc2c(cc1CN1C[C@@H]3CCCN3C[C@@H]1CCO)OCO2 19532422 ZURAUTZFCPAYPE-HOTGVXAUSA-N 348.443 1.845 0 40 EDAB CCN(C(=O)c1cc(Cl)ccc1Cl)[C@@H]1COC[C@@H](O)[C@H]1O 643585504 QRVIDWUQITZTTN-UPJWGTAASA-N 334.199 1.576 0 40 EDAB COCCNC(=O)CN1CCC(c2nnc(-c3cccnc3)o2)CC1 19593473 MBTAGAMXXFTEFC-UHFFFAOYSA-N 345.403 1.074 0 40 EDAB O=C(NCCOc1cc(N2CCOCC2)ncn1)NC1CCCCC1 35598381 HMUXAHPGDJNIMI-UHFFFAOYSA-N 349.435 1.324 0 40 EDAB O=C([C@H]1CN(c2ncccc2Br)CCO1)N1CCCC1 1888844632 RSWXBJDAHXFCMX-GFCCVEGCSA-N 340.221 1.672 0 40 EDAB COc1cnc(OC2CCN(c3nccn4nc(C)cc34)CC2)nc1 1889139868 RQDIXDMCNXETRT-UHFFFAOYSA-N 340.387 1.884 0 40 EDAB c1cnn(-c2ccc(N3CCN(c4ncnc5[nH]ccc45)CC3)nn2)c1 1889205825 DCNQLSSONYMFKG-UHFFFAOYSA-N 347.386 1.260 0 40 EDAB NCCCCCc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 1772768771 ZZXXBKHLDNFHCQ-HNNXBMFYSA-N 329.400 1.119 0 40 EDAB COc1cnccc1C(=O)N1CCC2(CC(NC(=O)N(C)C)C2)C1 1565544469 LOFBJURSKJTDOS-UHFFFAOYSA-N 332.404 1.356 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1)N1C(=O)c2ccccc2S1(=O)=O 4940693 JNEXHFGKHDLYBJ-NSHDSACASA-N 330.365 1.858 0 40 EDAB Cc1ccc(-c2cc(CC(=O)N3CCC(C(N)=O)CC3)no2)cc1 12422163 DBAFCLJRCKFZPH-UHFFFAOYSA-N 327.384 1.916 0 40 EDAB COc1cnccc1C(=O)N1CC[C@H]2OC[C@@H](C(=O)N(C)C)C[C@H]2C1 2055714534 GCGACQFPQWJLPT-KCQAQPDRSA-N 347.415 1.046 0 40 EDAB Cc1ncoc1C(=O)N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055745674 SUDXOBUFQLQAFF-LLVKDONJSA-N 344.371 1.398 0 40 EDAB Cc1cc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)on1 22906497 SINUVBUEGOWGFS-UHFFFAOYSA-N 348.340 1.689 0 40 EDAB Cc1nnsc1C(=O)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O 28284105 YGVUXFLNEVUZBP-IUCAKERBSA-N 340.430 1.583 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)NC1CCN(c2cnsn2)CC1 575615903 IZJQQEFBSDGQSD-UHFFFAOYSA-N 346.412 1.595 0 40 EDAB CCCc1nnsc1C(=O)NCc1nccnc1-c1cnn(C)c1 575620877 WAXPUFNLHCLXPG-UHFFFAOYSA-N 343.416 1.611 0 40 EDAB COc1ccc(CNC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)cc1C 101533450 UMUKBZCOUKFJHJ-UHFFFAOYSA-N 340.383 1.817 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 40496544 YCCZITKZPONFPC-QWHCGFSZSA-N 335.452 1.539 0 40 EDAB O=C(NCc1ccc2c(c1)OCCO2)c1cnc2sccn2c1=O 40461125 WLOFTKMEABLJKK-UHFFFAOYSA-N 343.364 1.457 0 40 EDAB C/C(N[C@@H]1CCCC[C@H]1N)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 20331892 AVYJCAHDYPQLRZ-XPPKJQKXSA-N 348.447 1.531 0 40 EDAB NC(=O)C1CCN(CC(=O)NCCCOC2CCCCC2)CC1 51185851 AFGRDEMNGCLKLZ-UHFFFAOYSA-N 325.453 1.039 0 40 EDAB CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(C(=O)OC)ccc1C 32073000 WACFZWWFFYBJHV-CYBMUJFWSA-N 342.461 1.790 0 40 EDAB CCOc1ccc(OCC(=O)NCCc2nnc3ccccn23)cc1 11545428 KKCWBMAGRGDNAC-UHFFFAOYSA-N 340.383 1.866 0 40 EDAB CN1CCN(CCCNC(=O)c2nc(-c3ccc(F)cc3)no2)CC1 20676703 OKIGIHKCJKMRFE-UHFFFAOYSA-N 347.394 1.243 0 40 EDAB CCc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCN(C4CC4)C3)CC2=O)cc1 60065752 AJBZSZAMMDNTLV-JKSUJKDBSA-N 341.455 1.955 0 40 EDAB O=C(CN1CCCSc2ccccc21)N[C@H]1CCCCNC1=O 51655627 DTKYZDGGKYXSNF-ZDUSSCGKSA-N 333.457 1.774 0 40 EDAB CCN(CC)S(=O)(=O)NCc1ccnc(OCC(F)(F)F)c1 32443482 PRQUFIJECVAUTP-UHFFFAOYSA-N 341.355 1.699 0 40 EDAB COc1ccc2cc([C@@]3(C)NC(=O)N(CC(N)=O)C3=O)ccc2c1 8890981 GFZFLIPCWIFNAP-QGZVFWFLSA-N 327.340 1.101 0 40 EDAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1 6322538 QWGJTQCWIGCNBS-UHFFFAOYSA-N 340.445 1.765 0 40 EDAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 6772041 MMGJQJYKXQCUNJ-UHFFFAOYSA-N 348.380 1.619 0 40 EDAB COc1ccc(C)cc1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 8719371 CFZGQQRVEZAARJ-UHFFFAOYSA-N 348.424 1.510 0 40 EDAB Nc1nnc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)s1 10789984 GESGIVHRTYYUSK-UHFFFAOYSA-N 349.441 1.978 0 40 EDAB Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cnn1C 29929130 UGVYQRDKQNCZGB-UHFFFAOYSA-N 340.427 1.621 0 40 EDAB CN(CC(N)=O)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 52831622 SCTKXHBKTKQGNQ-UHFFFAOYSA-N 327.388 1.105 0 40 EDAB COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)cc2c1OCCO2 7939197 QIWCMKIPXUNWMP-UHFFFAOYSA-N 348.311 1.558 0 40 EDAB Cc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)no1 16490409 NLQUOSLQFAVNRF-UHFFFAOYSA-N 328.122 1.707 0 40 EDAB O=C(Nc1nnc[nH]1)c1ccc(=O)n(Cc2ccccc2Cl)c1 26259853 OXKVHJSTGGGQEB-UHFFFAOYSA-N 329.747 1.920 0 40 EDAB C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CCC(N)=O)C1=O 42178573 AJNAOCFEMJYQKW-ZDUSSCGKSA-N 329.278 1.348 0 40 EDAB Cc1cc(C)n(CCCNC(=O)[C@H](C)NC(=O)c2cccs2)n1 23246857 IBFWMLGTDKULIV-ZDUSSCGKSA-N 334.445 1.886 0 40 EDAB O=C(C1CCCC1)N1CCN(c2nnnn2-c2ccccc2)CC1 24781677 CHKUTSNZGHFLAT-UHFFFAOYSA-N 326.404 1.501 0 40 EDAB Cc1ncsc1CN1CCC2(CC(NC(=O)c3cnn(C)c3)C2)C1 108531043 LJGMHJNSDGJKIE-UHFFFAOYSA-N 345.472 1.970 0 40 EDAB C[C@@H](c1ccccc1)N1CCN(C(=O)CSc2n[nH]c(N)n2)CC1 24980502 RUDIZPOGKGRPIY-LBPRGKRZSA-N 346.460 1.384 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)NCc1ccc(Br)s1 106535006 HZLIJOQJFLHCJA-ZETCQYMHSA-N 332.223 1.541 0 40 EDAB CN1CCC(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 47615615 PBOZZVPKRSRUST-MRXNPFEDSA-N 331.416 1.628 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 25046347 QSPDEBJOTMSPFP-UHFFFAOYSA-N 340.383 1.455 0 40 EDAB C[C@@]12CC(=O)CC(CO)(CO)[C@H]1[C@H](O)C[C@]13C[C@@H]4[C@@H](C[C@H]21)[C@@]4(C)C3 100059607 WTOYNGQRGOLPNU-HJXPGTNHSA-N 334.456 1.760 0 40 EDAB biogenic,in-vitro COCCN1CC[C@]2(CCCN(C(=O)c3ccncc3)CC2)C1=O 108530320 YVJIGTAGMONKOC-GOSISDBHSA-N 331.416 1.573 0 40 EDAB NC(=O)c1cccc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)c1 69703620 PLWRBYDVMQYJQN-LJQANCHMSA-N 339.439 1.637 0 40 EDAB O=S(=O)(c1ccc(Br)cc1F)N1CCC(O)CC1 61931066 XNQMCTORAMBISJ-UHFFFAOYSA-N 338.198 1.734 0 40 EDAB CN1CCC[C@H]2CN(C(=O)NCc3ccccc3OCCO)CC[C@@H]21 119032239 XQKBOCNTAHCIMN-IRXDYDNUSA-N 347.459 1.683 0 40 EDAB COc1ccc(CN(C)C(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1F 44873974 XMWOANWXZZELSD-ZDUSSCGKSA-N 344.408 1.217 0 40 EDAB COc1nc(C(=O)Nc2cnn(CC(N)=O)c2)cc2ccccc12 58294174 IPDXZTDCTFXHSB-UHFFFAOYSA-N 325.328 1.178 0 40 EDAB COC[C@H](C)NC(=O)CNc1cc(C(=O)OC)ccc1OC(C)C 58246418 WHHYZVUGPLXEES-LBPRGKRZSA-N 338.404 1.823 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCCN2CCOCC2)c1C 36146965 NGNUPNQIILDFMQ-UHFFFAOYSA-N 337.420 1.260 0 40 EDAB CCCN(CCC)S(=O)(=O)N1CCC[C@@H](c2nncn2C)C1 44935887 NYQYYESNDRJZHZ-CYBMUJFWSA-N 329.470 1.361 0 40 EDAB CC(=O)N1CCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1 44952284 RXWDZUVVVNBNHE-UHFFFAOYSA-N 346.309 1.719 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(N2CCOC2=O)c1 44977298 ONUXWQHIZZGQON-LLVKDONJSA-N 343.339 1.993 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)N3CCSCC3)cn2)CCO1 44968643 RZBYRLGJLVHQOB-ZDUSSCGKSA-N 336.461 1.565 0 40 EDAB CS(=O)(=O)Cc1cccc(CNC[C@@H]2CNc3ccnn3C2)c1 58331255 JDJOSOVPZZFPFY-OAHLLOKOSA-N 334.445 1.259 0 40 EDAB Cn1cc(CC(=O)/N=c2/[nH]nc(-c3ccccn3)[nH]2)c2ccccc21 58322970 OLSMGCOBLYVVSM-UHFFFAOYSA-N 332.367 1.962 0 40 EDAB COc1cc(F)c(S(=O)(=O)NCCc2ccccn2)cc1OC 27937860 ARANFDUKDDLGMU-UHFFFAOYSA-N 340.376 1.759 0 40 EDAB CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCCN(C)C1 58420533 VNQXVCHHJVOQAJ-OAHLLOKOSA-N 335.496 1.564 0 40 EDAB Cc1nc(C(=O)NCCC(=O)OC(C)C)nn1-c1ccc(F)cc1 10670566 GJKLODZETOTCDO-UHFFFAOYSA-N 334.351 1.786 0 40 EDAB CN(C)c1cc(CNC(=O)NCC(=O)NC2CCCCC2)ccn1 58559147 KSUYMXZWZVILON-UHFFFAOYSA-N 333.436 1.396 0 40 EDAB CCCn1cc(NS(=O)(=O)c2cccc(C(=O)O)c2)ccc1=O 48382654 CTHVESBNAYNFKF-UHFFFAOYSA-N 336.369 1.757 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 3440226 OQZOJCUKJFEFPS-INIZCTEOSA-N 331.328 1.074 0 40 EDAB O=C(NCC(=O)N1CCCC1)c1nc(C2CC2)n(-c2ccccc2)n1 69350696 QCICQPGDPUOLEP-UHFFFAOYSA-N 339.399 1.497 0 40 EDAB CN(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CC1 49218076 TWYCHEAMLIHUBQ-UHFFFAOYSA-N 337.173 1.666 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@H]1CCN2CCCC[C@H]12 69376778 TYQNGEAACDCLNR-DLBZAZTESA-N 333.480 1.282 0 40 EDAB Cc1cc(CN2CCN(CCC(=O)NC3CCCCC3)CC2)no1 39538169 HQHNAYMTVJFPNK-UHFFFAOYSA-N 334.464 1.940 0 40 EDAB CC1(C)NC(=O)N(CCSCC(=O)N2CCCCCCC2)C1=O 69452464 SRDPQTWMBBNJDM-UHFFFAOYSA-N 341.477 1.843 0 40 EDAB CCn1ccnc1CN1CCN(Cc2cn3ccsc3n2)CC1 69415320 FZGNTLHWABTJPT-UHFFFAOYSA-N 330.461 1.930 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCc1ccc2c(c1)OCCO2 69414220 BXGBLIOCFWISFZ-QWHCGFSZSA-N 349.431 1.603 0 40 EDAB COc1ccccc1CC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 65464780 DNAIYZHXQVCQOO-OAHLLOKOSA-N 344.386 1.837 0 40 EDAB CC(=O)NCCNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 65428350 KTGRWUVEYPRUNL-UHFFFAOYSA-N 341.795 1.437 0 40 EDAB CC(C)(C)[C@H](NS(=O)(=O)c1cccc(Br)c1)C(N)=O 69452315 DDURZVBGGRLYLD-SNVBAGLBSA-N 349.250 1.627 0 40 EDAB COC[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 65422393 RJSAKPAGIJIKNN-UONOGXRCSA-N 340.493 1.371 0 40 EDAB Nc1nonc1C(=O)NCCNCc1ccc(Cl)cc1Cl 4488605 RUNRPYGURQVBAN-UHFFFAOYSA-N 330.175 1.478 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCCC1 14183258 BVFSXRSISRLJDT-UHFFFAOYSA-N 336.335 1.606 0 40 EDAB NC(=O)c1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 6628033 IRCAUVKJZRXGHG-UHFFFAOYSA-N 336.351 1.907 0 40 EDAB C[C@H]1CCc2ccccc2N1C(=O)CN[C@@H]1CCc2ncnn2C1 69596507 RXLWBPYBPDOWAZ-DZGCQCFKSA-N 325.416 1.550 0 40 EDAB CN(C)c1nc(N)nc(CN2CCO[C@H](c3ccccc3Cl)C2)n1 69528470 ZGLRKJIEXUPQQQ-ZDUSSCGKSA-N 348.838 1.747 0 40 EDAB Cc1nn2cccnc2c1C(=O)NC[C@H](O)COc1cccc(F)c1 69565424 RDDNPXQJNLEUDC-ZDUSSCGKSA-N 344.346 1.347 0 40 EDAB COc1ccc(S(=O)(=O)Nc2cccnc2-n2cncn2)c(C)c1 69561671 MSOLILQMGJMMFA-UHFFFAOYSA-N 345.384 1.780 0 40 EDAB C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)Nc3cn[nH]c3)CC2)C1 66594896 AIVRFWMBLLWTCM-KBPBESRZSA-N 348.451 1.254 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc2cc[nH]c2c1 69584100 LZRQVLXGSVNUPS-QGZVFWFLSA-N 342.443 1.840 0 40 EDAB O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCCC[C@@H]1Cn1cccn1 69971859 GAAJLSUWFJRZHI-CYBMUJFWSA-N 325.372 1.748 0 40 EDAB CN(C(=O)CSc1nc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 4830097 XDKGQVJEUVCKCY-SNVBAGLBSA-N 339.442 1.301 0 40 EDAB COCCNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 4995872 ACCXVWUVZSTINQ-UHFFFAOYSA-N 334.825 1.177 0 40 EDAB CCNC(=O)CN(CC)CCS(=O)(=O)c1cc(C)ccc1C 15307302 KHDVOOZLIMLKGT-UHFFFAOYSA-N 326.462 1.535 0 40 EDAB Cc1nnc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)s1 70641473 WEGCFDJSXVGRDB-GFCCVEGCSA-N 332.385 1.213 0 40 EDAB CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1c(C)noc1C 67762086 XMAGWLWYBWTMJU-AWEZNQCLSA-N 343.449 1.502 0 40 EDAB CC(C)CNC(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 15843058 MHRJOGKBYPLYMX-UHFFFAOYSA-N 338.429 1.775 0 40 EDAB C[C@@H]1CN(C2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)CCO1 68095672 PQSALEVUDCDXFR-GFCCVEGCSA-N 329.404 1.283 0 40 EDAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)NC(C)(C)C 7684854 CCTMRSJYPCHBHR-UHFFFAOYSA-N 348.447 1.820 0 40 EDAB COc1ccccc1N1CCN(Cc2oc(CO)cc(=O)c2O)CC1 9061039 PXTJTEBVBVPWIG-UHFFFAOYSA-N 346.383 1.169 0 40 EDAB O=C(Cn1nc2c(cc1=O)CSCC2)Nc1nnc(C2CC2)s1 71283961 GJURVGFLBZPKNA-UHFFFAOYSA-N 349.441 1.400 0 40 EDAB O=C1CCCN1CCCN1CCCN(Cc2noc(C3CC3)n2)CC1 75603312 WQBZGRFCFAJDAT-UHFFFAOYSA-N 347.463 1.467 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)[nH]n1 96001045 YZKWXWFDYHDHII-CQSZACIVSA-N 339.355 1.982 0 40 EDAB Cc1n[nH]c([C@H]2CN(CC(=O)NCCc3ccccc3C)CCO2)n1 76049114 BORNMGXLTZFOSG-MRXNPFEDSA-N 343.431 1.154 0 40 EDAB Cn1cc(CN2CC[C@H](CN3CCOCC3)C2)c(-c2cccnc2)n1 93664340 KJKUZVQBCIXASW-MRXNPFEDSA-N 341.459 1.636 0 40 EDAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)Cc1ccccc1Cl 71794648 JWIZPPGZWOPUBO-LBPRGKRZSA-N 337.851 1.884 0 40 EDAB O=C(NCCc1ccc(O)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 96421671 HOQDBHPSJQUAQH-IBGZPJMESA-N 340.423 1.952 0 40 EDAB COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)CSC 71824333 NDNVWIQMOMQGNK-UHFFFAOYSA-N 327.402 1.568 0 40 EDAB CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccn(C)n2)c1 71894020 RONCHGDRLNKJLV-UHFFFAOYSA-N 325.365 1.994 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CN1C(=O)CSc2ccccc21 71829773 QBLADNQGZMEGSM-NEPJUHHUSA-N 347.440 1.238 0 40 EDAB CCN(CC)[C@@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccccc1 71847130 UOMNGZFXYKMCLU-GDBMZVCRSA-N 338.473 1.620 0 40 EDAB O=C1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)N1 71896686 CORMXUDPMGYNJU-NHYWBVRUSA-N 337.370 1.324 0 40 EDAB O=C1CN(C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)CCN1 83751128 KEBBFZQQIOWDAV-CQSZACIVSA-N 347.806 1.267 0 40 EDAB Cn1cc(C(=O)C[C@H]2CCCN2c2cnn(C)c(=O)c2Cl)cn1 97047858 HZRMJJKAMBIHIF-LLVKDONJSA-N 335.795 1.409 0 40 EDAB O=C(c1ccn(-c2ccccc2)n1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269403 WLIFZGPINUNWPQ-ROUUACIJSA-N 340.427 1.544 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N1CC[C@](O)(C(F)(F)F)C1 72294411 CNSXOVODCDRXMF-GFCCVEGCSA-N 343.367 1.260 0 40 EDAB COc1c([C@@H]2CCCN2CC(=O)Nc2cc(C)no2)c(C)nn1C 72253710 WELXBUDZHPJOAY-LBPRGKRZSA-N 333.392 1.809 0 40 EDAB Cc1cccc([C@@H]2CCCCCN2C(=O)c2cn(CC(N)=O)nn2)c1 72302905 FMJHTMWJLIRTHB-INIZCTEOSA-N 341.415 1.829 0 40 EDAB NC(=O)CSc1ccccc1C(=O)NCc1cccc2c1OCO2 84500178 RJNXWBHUASKKED-UHFFFAOYSA-N 344.392 1.923 0 40 EDAB C[C@@H](COCC(F)(F)F)NC(=O)Cc1n[nH]c(=O)c2ccccc12 84640462 QBHVOMBHUWDPAY-VIFPVBQESA-N 343.305 1.549 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CCO)CCN2CCOCC2)o1 84688893 QSSWRIRMDUOWQZ-YEICVZNQSA-N 348.443 1.569 0 40 EDAB O=C(O)C[C@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)CCO1 95425488 PDBYYLQXGCMENS-AWEZNQCLSA-N 332.356 1.129 0 40 EDAB C[C@](O)(Cc1ccccc1)C(=O)N1CCN(C(=O)C2CCCC2)CC1 95405494 RYCGWVCHTMZMAU-FQEVSTJZSA-N 344.455 1.841 0 40 EDAB O=C(NCc1ccco1)C1CCN(CCOC[C@H]2CCCO2)CC1 95400872 UFGPIFGWDNUBRD-QGZVFWFLSA-N 336.432 1.803 0 40 EDAB O=C(Nc1cccnc1)c1ccc(CNC(=O)c2cccc[n+]2[O-])cc1 78878889 QZNZTNZUBCINOF-UHFFFAOYSA-N 348.362 1.897 0 40 EDAB CCc1nn(C)c2[nH]nc(NC(=O)c3cccnc3-n3cccn3)c12 79015366 YYUFZYGFSRWUPW-UHFFFAOYSA-N 336.359 1.692 0 40 EDAB COC(=O)[C@@H](NC(=O)c1cnc2sc(C)c(C)n2c1=O)C(C)C 79495341 NIISLYPRZWFOBD-NSHDSACASA-N 337.401 1.300 0 40 EDAB Cc1cccc(OC[C@H](O)CN2CCC(N3CCN(C)C3=O)CC2)c1 75132583 ZKWTTYGWKLDOSQ-QGZVFWFLSA-N 347.459 1.567 0 40 EDAB NC(=O)CCn1ccc(NC(=O)c2cc(-c3cccs3)on2)n1 75140623 XUYXXDMRDVTJIR-UHFFFAOYSA-N 331.357 1.727 0 40 EDAB Cc1ccc(C(=O)NCc2cccc(OCCN(C)C)c2)c(=O)[nH]1 75121103 GPOBXRITVCNCLL-UHFFFAOYSA-N 329.400 1.554 0 40 EDAB O=C(Cc1cccc(I)c1)NCc1nc[nH]n1 89779424 LHGPUGIBWIBMGR-UHFFFAOYSA-N 342.140 1.268 0 40 EDAB Cc1nc2ccccc2c(=O)n1CC(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 89729920 PNOMFYNYAIFQNH-WBMJQRKESA-N 328.416 1.113 0 40 EDAB CCN(c1cc(OC)c(OC)cc1C(=O)NC(C)C)S(C)(=O)=O 22251725 INHRFXSBTDXJFQ-UHFFFAOYSA-N 344.433 1.628 0 40 EDAB Cc1cccc(NC(=O)CN2CCN(C(=O)[C@H](C)C(=O)O)CC2)c1C 517739346 MWWXSZBNROSGNK-AWEZNQCLSA-N 347.415 1.107 0 40 EDAB O=C(NCCc1ccc(O)cc1)[C@H](Cc1ccccc1)n1cnnn1 524734182 FZMSSPHTIQGBLA-KRWDZBQOSA-N 337.383 1.521 0 40 EDAB O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1ccccn1 186813582 FQKZMDUXTFMEJN-UHFFFAOYSA-N 329.331 1.945 0 40 EDAB C[C@]12CN(CCN3CCCC3)C[C@H]1NC(=O)c1ccccc1C2=O 72395020 HSFGQYGCDXHBMH-APWZRJJASA-N 327.428 1.399 0 40 EDAB C[C@@H](NC(=O)N1CCO[C@H](Cc2ccccc2)C1)c1nncn1C 182718401 GVDNFOFIQRDSFF-UKRRQHHQSA-N 329.404 1.529 0 40 EDAB CCC(=O)N1CCC[C@H](C(=O)OCCOc2cncc(Cl)n2)C1 78442853 MRKHOYFBSXRSPO-NSHDSACASA-N 341.795 1.701 0 40 EDAB O=C1CC[C@@H](NS(=O)(=O)c2cccc3ccoc23)[C@H](C2CC2)N1 564706848 VWSMMIFAPGHODV-DOMZBBRYSA-N 334.397 1.768 0 40 EDAB COC(=O)[C@H]1Oc2ccc(Br)cc2-c2nc(=O)[nH]cc21 72207115 JUXBJQRAAQFSEX-NSHDSACASA-N 337.129 1.806 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)CCc2c(C)n[nH]c2C)C1 225387847 KVUYLPFXTNQEQL-CYBMUJFWSA-N 345.403 1.438 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 40493614 WOFHDOZZKSWJMZ-WDEREUQCSA-N 342.383 1.601 0 40 EDAB O=C(NCCCn1ccnn1)NC1CCN(c2nccs2)CC1 225583796 NRVUAPQTFIBALQ-UHFFFAOYSA-N 335.437 1.093 0 40 EDAB CCCCS(=O)(=O)NCC(=O)N1CCc2c(F)ccc(F)c2C1 90061475 MYUCFSBNGJVKAB-UHFFFAOYSA-N 346.399 1.569 0 40 EDAB CN1C(=O)[C@H](c2cccnc2)CC12CCN(C(=O)NC1CC1)CC2 96087443 IWECUJZVCOVBJZ-HNNXBMFYSA-N 328.416 1.734 0 40 EDAB COc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)n(C)c2=O)cc1 98004764 SZNFGJKCJITLKN-VUTUTYQISA-N 341.388 1.541 0 40 EDAB COCc1nnc(NC(=O)CCc2nc(-c3ccncc3)no2)s1 96117417 NCZRCDYGFUABGC-UHFFFAOYSA-N 346.372 1.701 0 40 EDAB Cn1ccnc1CN1CCOC[C@@]2(CCN(Cc3cccnc3)C2)C1 96070368 BGQLQLLNLGOBEU-LJQANCHMSA-N 341.459 1.540 0 40 EDAB Fc1cnc(N2CCOC[C@]3(CCCN(c4cnccn4)C3)C2)nc1 96229199 JBYBMKFPUXQHRZ-KRWDZBQOSA-N 344.394 1.529 0 40 EDAB CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)O1 96056397 WDINDWQBAADGLD-BZUAXINKSA-N 338.473 1.975 0 40 EDAB Cc1nccn1CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 96420688 VEGQZGSRSNXQQP-SFHVURJKSA-N 342.443 1.599 0 40 EDAB Cc1noc(C)c1CNC(=O)N[C@@H](C)c1nnnn1-c1ccccc1 96406830 KAMNWGAUWVLXFI-NSHDSACASA-N 341.375 1.828 0 40 EDAB Cc1cnc(C(=O)N2CCC3(CCCN3c3ncccn3)CC2)cn1 96227961 IFGQZEIRUIVWIW-UHFFFAOYSA-N 338.415 1.850 0 40 EDAB CC(C)[C@H](NC(=O)NC[C@](C)(O)c1cnn(C)c1)c1ccccn1 96421615 KLYBOBXPWIEEOF-RDJZCZTQSA-N 331.420 1.719 0 40 EDAB O=C(NC[C@H]1OC[C@@H]2CCN(c3ncccn3)C[C@H]12)c1cscn1 96064352 BWPGEQRNLUAYGL-SGMGOOAPSA-N 345.428 1.204 0 40 EDAB O=C(NC[C@H](O)c1ccco1)[C@@H](c1cccc(F)c1)N1CCOCC1 96436067 LJCGKFSKYBULGW-DOTOQJQBSA-N 348.374 1.642 0 40 EDAB CN(C)c1nc(-c2cnn(C)c2)nc2c1CN(c1ncccn1)CC2 96254069 XDYZKNGGXSNCDW-UHFFFAOYSA-N 336.403 1.296 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@@H]2CCN(c3ccncn3)C[C@@H]2O1 96043256 IKHMLGWZRHSJOD-CFVMTHIKSA-N 328.372 1.370 0 40 EDAB Cc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C)on3)OCC(=O)N2C)cc1 96181548 DXSBVYGOAMODKP-HOTGVXAUSA-N 329.356 1.828 0 40 EDAB Cc1ocnc1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 579742981 WILQVSKZURKTLP-CJNGLKHVSA-N 326.356 1.612 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)NCCCCO)C1 585091111 YEUYBQYVCBKODL-SUMWQHHRSA-N 326.437 1.912 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@H](C)c3noc(C)n3)CC2)cc1 585084823 QXDITIFINHDEFT-CYBMUJFWSA-N 344.415 1.835 0 40 EDAB Cn1cc(CN2CCc3nc(C(=O)N4CCCC4)sc3CC2)cn1 96187583 PLPPXRLBAXFWQI-UHFFFAOYSA-N 345.472 1.713 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CCC(c3n[nH]c(C)n3)CC2)cc1 96404576 NHQYNYZZNQFLNA-UHFFFAOYSA-N 348.428 1.884 0 40 EDAB CCS(=O)(=O)C1CCN(C(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)CC1 248753144 HHNYKCXJGAUVIE-XSXPHNMFSA-N 326.462 1.640 0 40 EDAB Nc1nccnc1C[C@H]1CCCN(C(=O)COc2cccnc2)C1 257320202 VVSZQAZXTLDRSV-CYBMUJFWSA-N 327.388 1.314 0 40 EDAB C[C@@H](O)CN(C)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 585114168 ZNJISLXYUFRZSX-CHWSQXEVSA-N 342.436 1.242 0 40 EDAB CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(O)nc2)C[C@H]1O 257331185 XRSSGQSJTJLCLD-HZPDHXFCSA-N 345.374 1.244 0 40 EDAB O=C(COCCc1ccccc1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 583620375 BXJYICQZBNFIIJ-KSZLIROESA-N 333.428 1.634 0 40 EDAB CC(C)C[C@@H](C)OC(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 583651821 TUPIXXGDZVNTFU-HIFRSBDPSA-N 325.453 1.842 0 40 EDAB O=C(CCCn1ccnc1)N1CCOC[C@H](Cc2ccncn2)C1 257270953 MWHDBNBULSDPMN-OAHLLOKOSA-N 329.404 1.171 0 40 EDAB Cc1cc(C)n(CC(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n1 257344022 ZVLSUUMGQUUPBF-JFIYKMOQSA-N 329.400 1.587 0 40 EDAB CCN1CCN(C(=O)c2nccnc2C[C@@H]2CCCN(C)C2)CC1 257331926 XUXKXIVHNRBHDL-HNNXBMFYSA-N 331.464 1.139 0 40 EDAB CNC(=O)c1sc2nc([C@@H]3CCCN3C(=O)COC)ccc2c1N 257202921 ANWZCVHFXVIKFQ-NSHDSACASA-N 348.428 1.548 0 40 EDAB Cc1nccc(CN2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)n1 257332042 XVMIJRWGTHFWNJ-QZTJIDSGSA-N 338.411 1.397 0 40 EDAB CNCCOc1cccc(C(=O)N2C[C@H](OC)[C@]3(CCCO3)C2)c1 257247214 IXYYYSUXTCBHDD-WMZOPIPTSA-N 334.416 1.305 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)c3cnco3)CCO2)ccn1 257243874 IIYFFIVTHKGYQW-CQSZACIVSA-N 330.388 1.609 0 40 EDAB CCn1nccc1S(=O)(=O)N(C)c1cccc(CCC(=O)O)c1 274400769 FOVMYEFLKSOVGQ-UHFFFAOYSA-N 337.401 1.745 0 40 EDAB CC1=C(Br)CN([C@H](C)C(=O)NC(=O)NC2CC2)CC1 281287635 WLBCAJHAVYJVJT-SECBINFHSA-N 330.226 1.738 0 40 EDAB C[C@H](O)CCCN[C@H]1CCO[C@@]12CCN(C(=O)OC(C)(C)C)C2 1616036460 VXYMPDBNWHSIDW-GRDNDAEWSA-N 328.453 1.906 0 40 EDAB CCOc1ccccc1OCc1nnc2n1CC[C@@H](C(=O)OC)C2 601043585 FAELWCDSIWQTLM-GFCCVEGCSA-N 331.372 1.991 0 40 EDAB COc1ccnc(N2CCN([C@@H](C(=O)O)c3ccccc3F)CC2)n1 568061013 WTPFXFQBVGIGGL-OAHLLOKOSA-N 346.362 1.572 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575403795 KNDMKPBVMZAFBI-NSHDSACASA-N 346.449 1.898 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 585288275 SVXZFDLWIVHHBC-OAGGEKHMSA-N 345.399 1.578 0 40 EDAB CCc1ccc(CN2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)cc1 585113054 YATUESYLEWZMQG-QGZVFWFLSA-N 348.472 1.552 0 40 EDAB Cn1cccc1C(=O)N1Cc2ncn(C)c2C[C@H]1CN1CCCCC1 585094847 PZWRMDNKURIEAW-HNNXBMFYSA-N 341.459 1.812 0 40 EDAB CCn1cnnc1CNC(=O)c1cccc(OC[C@H]2CCCO2)c1 44942482 FWPPRWQOILZINO-OAHLLOKOSA-N 330.388 1.786 0 40 EDAB NC(=O)NC(=O)CCCSc1nnc2ccc(C(F)(F)F)cn12 58180225 CNWXTWQYHIELCU-UHFFFAOYSA-N 347.322 1.815 0 40 EDAB O=c1ccc(-n2cncn2)nn1Cc1csc(Br)c1 58217311 FHAFTFNUAPXCDK-UHFFFAOYSA-N 338.190 1.696 0 40 EDAB CCO[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C1 67556227 BUXIMYBFOAVOBZ-OAHLLOKOSA-N 342.399 1.838 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 69654240 YGTWXXRCRWEDIB-UONOGXRCSA-N 348.447 1.218 0 40 EDAB CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1nn(C)c(=O)c2ccccc12 69706518 GODMHAQOPIJDBL-JKSUJKDBSA-N 340.427 1.632 0 40 EDAB COC[C@@](C)(NC(=O)c1cccc(OCc2cccs2)c1)C(N)=O 69951470 JRKLQKVLTVBXGE-QGZVFWFLSA-N 348.424 1.947 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cnc(-c3ccco3)s2)CC1 69951557 OBWXMJPETCOOIH-LBPRGKRZSA-N 335.429 1.932 0 40 EDAB COC[C@@H]1CCCN(C(=O)c2c(C)nc3ccc(OC)nn23)CC1 1615003131 FJIJILPJKPHRRG-CYBMUJFWSA-N 332.404 1.935 0 40 EDAB COc1ccc(/C=N/NC(=O)COc2ccccc2C(=O)O)cc1 35317 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40 EDAB Cc1ccc(Br)cc1S(=O)(=O)NCCCC(=O)O 36967068 QWYWKLKDYFEZHF-UHFFFAOYSA-N 336.207 1.901 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3OCCN(CC4CCCC4)[C@H]3C2)n(C)n1 2056223314 FRCANZXLUATYPY-IRXDYDNUSA-N 332.448 1.444 0 40 EDAB CCC(CC)CN[C@@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055729997 OMICTXQBVJTKPC-GFCCVEGCSA-N 329.466 1.607 0 40 EDAB CCCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713810 NXKBVKQRQBYVPM-AWEZNQCLSA-N 332.448 1.940 0 40 EDAB CN(C)C(=O)[C@]1(n2ccnc2)CCCN(C(=O)Cc2ccsc2)C1 2055771786 YIFIRRKZXAERPE-KRWDZBQOSA-N 346.456 1.593 0 40 EDAB Cc1noc(C)c1CN1CCC[C@@H](N(C)S(=O)(=O)C2CC2)C1 2086889109 AEGCKLIVNQYQDB-CYBMUJFWSA-N 327.450 1.680 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)s1 206978298 QZEHILHEKXEOGL-VIFPVBQESA-N 346.455 1.515 0 40 EDAB O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)c1ccccc1Cl 575617133 PNMICMKITZWNLN-LLVKDONJSA-N 342.790 1.786 0 40 EDAB O=C(NCCn1c(O)nc2ncccc2c1=O)NCc1cccs1 575610053 UHGQDBQQMULIOF-UHFFFAOYSA-N 345.384 1.058 0 40 EDAB OC1(CN2CCN(c3ccnc(N4CCCC4)n3)CC2)CCCC1 2298180923 MRPYAUBGOOCTCF-UHFFFAOYSA-N 331.464 1.504 0 40 EDAB O=C1NCCC[C@@H]1N1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1 2298187879 DAKDDGNPHKMXTJ-OLZOCXBDSA-N 329.391 1.235 0 40 EDAB C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NCc1ccco1 35876587 FMSVNJWEDDJFCV-BLLLJJGKSA-N 327.384 1.115 0 40 EDAB CCOc1ncccc1CNC(=O)c1cccnc1N1CCOCC1 30308081 QJARTCQGHFPYDR-UHFFFAOYSA-N 342.399 1.642 0 40 EDAB NC(=O)[C@H]1CN(C(=O)CCCOc2ccccc2Cl)CCO1 50842758 DJHTXCQZSIKQIT-CYBMUJFWSA-N 326.780 1.212 0 40 EDAB O=C(NCc1ccco1)NC[C@H](O)CN1CCc2ccccc2C1 40513526 ONXVQMZTNSKCRF-INIZCTEOSA-N 329.400 1.498 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)[C@H]1CCCO1 40501178 DBOAMUJJXFBNSI-UKRRQHHQSA-N 334.420 1.285 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NCC2CCCCC2)no1 40528882 RDUJGCGUUDCXMU-GFCCVEGCSA-N 328.434 1.983 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCc2ncn(C)n2)[C@@H]1c1cccc(Cl)c1 91869494 KABSGOWLYXTGSD-WFASDCNBSA-N 347.806 1.304 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCCN(C[C@@H]2CCCO2)CC1 46047838 PGYVMMNPZNNHTF-INIZCTEOSA-N 346.427 1.785 0 40 EDAB CCOC(=O)c1c[nH]n(C2CCN(Cc3noc(CC)n3)CC2)c1=N 101269429 ZFTOQYOPPUSWTH-UHFFFAOYSA-N 348.407 1.255 0 40 EDAB CN(C)C(=O)Cn1cc(C(=O)N2CCCC3(CCCCCC3)C2)nn1 81304749 WHJGFEPSFRNMHT-UHFFFAOYSA-N 347.463 1.943 0 40 EDAB O=C(c1cccc(N2CCNC2=O)c1)N1CCC[C@@H](n2ccnc2)C1 69774710 IOYCRGGXBLLTED-MRXNPFEDSA-N 339.399 1.890 0 40 EDAB CC(C)[C@@H](NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O)C(=O)O 1848357 JBLZLVXVKCRJPR-ZIAGYGMSSA-N 346.383 1.533 0 40 EDAB CCCCNC(=O)CNC(=O)CN1C[C@@H](c2ccccc2)CC1=O 3126743 OEDSMLDHWQWXQY-HNNXBMFYSA-N 331.416 1.035 0 40 EDAB NC(=O)NCC(=O)NCCCCCc1nc(-c2cccs2)no1 32781548 KIZBUMAHNHQADS-UHFFFAOYSA-N 337.405 1.295 0 40 EDAB CC(=O)N1CCC(NC(=O)CCc2nc(-c3cccs3)no2)CC1 52553113 ZIQBZEZOVGSQTL-UHFFFAOYSA-N 348.428 1.858 0 40 EDAB c1ccc(CN2CCC[C@@]3(C[C@@H](CN4CCOCC4)CO3)C2)nc1 107790459 BPLOUSSOLLXXLJ-PKOBYXMFSA-N 331.460 1.785 0 40 EDAB C[C@H](NC(=O)c1ccc(-n2cncn2)cc1)c1nnc2ccccn12 52757590 FRHHCQNPBMUWMC-LBPRGKRZSA-N 333.355 1.801 0 40 EDAB CC(C)(C)c1ccc(OCCNC(=O)CN2CC(=O)NC2=O)cc1 69773269 QQFFZGVLJDFELP-UHFFFAOYSA-N 333.388 1.031 0 40 EDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)CC1=O 8131827 CWYMQBSTEBHBJV-KBMXLJTQSA-N 343.427 1.320 0 40 EDAB CCOC(=O)[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 53239658 VBYVSVRCGLFYDI-HIFRSBDPSA-N 332.400 1.145 0 40 EDAB CS(=O)(=O)NC(=O)CCC(=O)c1ccc(Br)cc1 42278766 KFSLZZAWSSDGFN-UHFFFAOYSA-N 334.191 1.488 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)cs1 42360531 BPCDNFJDCJCCDT-CYBMUJFWSA-N 348.472 1.107 0 40 EDAB COc1ccc(OC)c(CCNC(=O)CNC(=O)c2ccccc2)c1 54265177 FTVUPJPYBWCLSF-UHFFFAOYSA-N 342.395 1.793 0 40 EDAB O=C(COc1nc2c3c4c(sc3ncn2n1)CCC4)N1CCCC1 12388953 OKYDKCHKUUCCAT-UHFFFAOYSA-N 343.412 1.829 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)Cc1nc2c(cnn2C)c(=O)[nH]1 54418006 FEVFZFGBIVJUEC-UHFFFAOYSA-N 341.371 1.407 0 40 EDAB COc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1OC 47386140 VWIZPWDECJPJGW-UHFFFAOYSA-N 349.408 1.908 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cn2ccccc2=O)o1 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0 40 EDAB CCS(=O)(=O)Nc1ccccc1C(=O)N(CCOC)CCOC 58420394 VEZYSLWIQYBYJS-UHFFFAOYSA-N 344.433 1.183 0 40 EDAB C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1ncnc2[nH]cnc12 11136871 GMEQMONXWQFYOG-SSDOTTSWSA-N 347.281 1.815 0 40 EDAB Cc1nc(CN(C(=O)Cn2cnnn2)c2ccc(F)cc2)cs1 59287073 RIXOXAQVEKFUBD-UHFFFAOYSA-N 332.364 1.811 0 40 EDAB CCc1nc(C)c(C(C)=O)c(S[C@@H](C)C(=O)N2CCOCC2)n1 12767624 ZMMQHXKSBIRWIZ-LBPRGKRZSA-N 337.445 1.889 0 40 EDAB Cn1ccnc1[C@H](NC(=O)NC[C@H]1CCOC1)c1cccc(F)c1 48255442 MSXQPLAJGGMGOS-IUODEOHRSA-N 332.379 1.984 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 70006747 VWDGYQVWEVOLFA-CQSZACIVSA-N 347.415 1.291 0 40 EDAB COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl 38234503 GIWMAITYUJGWGK-UHFFFAOYSA-N 329.853 1.967 0 40 EDAB O=C(CCNS(=O)(=O)Cc1ccccc1F)N1CCCCC1 69328356 AUIOACIAZOEREG-UHFFFAOYSA-N 328.409 1.648 0 40 EDAB COc1ccc(CCN(C)C(=O)CNC(=O)c2ccco2)cc1OC 8346778 GFQXWDGKHOVEOX-UHFFFAOYSA-N 346.383 1.728 0 40 EDAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCNC1=O 5018406 HTDHLXXFKJTROS-UHFFFAOYSA-N 348.340 1.109 0 40 EDAB Cc1cccn2cc(CC(=O)NCCN3CCCCCC3=O)nc12 69452337 GJPSSEIGKOKSGX-UHFFFAOYSA-N 328.416 1.704 0 40 EDAB COc1ccccc1OCCN(C)c1ncc(S(N)(=O)=O)s1 69453948 MJGAJDQKMCXMOQ-UHFFFAOYSA-N 343.430 1.314 0 40 EDAB CCOc1ccc(NC(=O)C[C@H]2N=C(N3CCCCC3)NC2=O)cc1 13721355 WDXCAPHFVUEIMG-OAHLLOKOSA-N 344.415 1.754 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC)cc1 408588917 DCKYNYQPWSWMGP-NWDGAFQWSA-N 328.434 1.667 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)C2)c1 69415690 ITFLIXNYELVLTJ-HZPDHXFCSA-N 330.432 1.614 0 40 EDAB C[C@H]1CN(CCNC(=O)NCc2ccnc(N(C)C)c2)C[C@H](C)O1 65430243 CVFPIWCNGXXQEA-KBPBESRZSA-N 335.452 1.056 0 40 EDAB Cc1nc2c(C)cccc2cc1C(=O)N1CCN2CCN(C)C[C@@H]2C1 65427516 SSWJIIYBSTXYBQ-QGZVFWFLSA-N 338.455 1.923 0 40 EDAB CCN1CCN([C@H](C)CNC(=O)N(C)Cc2c(C)noc2C)CC1 65452096 ZVTSYMYSUYAQFE-CYBMUJFWSA-N 337.468 1.459 0 40 EDAB CN(Cn1nc(-c2cccs2)[nH]c1=S)[C@H]1CCS(=O)(=O)C1 14138200 QAYDVQYSVLLFQN-VIFPVBQESA-N 344.487 1.746 0 40 EDAB COc1cc(NC(=O)CN2CCSC2=O)cc(OC)c1OC 14197092 KOURHHYNQKMHCB-UHFFFAOYSA-N 326.374 1.820 0 40 EDAB C[C@H]1CCCCN1CCOc1ccccc1C(=O)NCC(=O)N(C)C 65605058 AXJBLZCJWOQBPE-HNNXBMFYSA-N 347.459 1.758 0 40 EDAB Cc1nnc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)o1 14253428 LXZHMNRTUVQOQY-HNNXBMFYSA-N 330.300 1.074 0 40 EDAB Cc1noc(C)c1C(=O)NS(=O)(=O)c1cccc2cnccc12 69593752 MQQKXLAYMPVUPV-UHFFFAOYSA-N 331.353 1.958 0 40 EDAB C[C@H]1CCC[C@H](NC(=O)CN2CCN(CCc3ccncc3)CC2)C1 66566548 WODRPXSRSYSTDB-HKUYNNGSSA-N 344.503 1.937 0 40 EDAB Cc1ccccc1-c1nnc(SCC(=O)NC(=O)NC2CC2)n1C 5858754 MUGPDUMLOVRGDW-UHFFFAOYSA-N 345.428 1.871 0 40 EDAB CC(=O)NC1(C(=O)N2CCn3c(nnc3C(C)C)C2)CCC(C)CC1 69842158 CFFDZMZVHDVFPK-UHFFFAOYSA-N 347.463 1.829 0 40 EDAB CN(C)C(=O)CCCCS(=O)(=O)CC(=O)NC1CCCCCC1 69892658 WMMAVQKDOPRRBJ-UHFFFAOYSA-N 346.493 1.499 0 40 EDAB COC(=O)c1cc(NC(=O)COC(=O)[C@H]2C[C@@H]2C)cc(C(=O)OC)c1 5938493 DHFVUNALFOWNFR-ZANVPECISA-N 349.339 1.398 0 40 EDAB O=C(COc1ccccc1Br)N[C@@H]1CCS(=O)(=O)C1 5999917 ZFMOGXVEPIKXQM-SECBINFHSA-N 348.218 1.131 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1ccc(C)c(N(C)C)c1)C2 90168875 POISITIZBNLLEL-CQSZACIVSA-N 348.472 1.859 0 40 EDAB NC(=O)NC1CCN(c2nc(-c3ccccn3)nc3c2CCC3)CC1 80230303 UVTWQQXPWGUPTH-UHFFFAOYSA-N 338.415 1.664 0 40 EDAB C[C@@H](C(=O)N1CCCCCC1)N(C)CC1CCN(CCO)CC1 69947417 ARIIPQHYQNZBDY-INIZCTEOSA-N 325.497 1.414 0 40 EDAB Cc1cc(COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)no1 7836680 YYHCYPTYKFWKMN-UHFFFAOYSA-N 342.348 1.729 0 40 EDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCOC[C@H]1CC(C)C 71041461 CLJWCXBQKBJWMQ-CYBMUJFWSA-N 332.404 1.147 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)Sc2nnnn2C2CCOCC2)on1 69323465 NZHJZCCZIZYSFO-SECBINFHSA-N 338.393 1.440 0 40 EDAB CC[C@@H](O)CCNC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C 89943263 WUSIEUOGVRJCOR-CZUORRHYSA-N 336.432 1.727 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 83611060 DVRMWIJPZRLPKQ-GFCCVEGCSA-N 348.877 1.506 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H](C)c1nc[nH]n1 97086313 PZCAMBHHOPTNOK-SNVBAGLBSA-N 326.426 1.314 0 40 EDAB C[C@H]1CCCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 71842054 KPQYWWUBHPUDID-ZDUSSCGKSA-N 349.460 1.688 0 40 EDAB CCCC(=O)N1CCCC[C@@H]1C(=O)NCCNc1ccc(C)nn1 71883687 GTUIQWJBOKADIE-CQSZACIVSA-N 333.436 1.494 0 40 EDAB C[C@H]1CN(CC(=O)N2CCN(c3ccccn3)CC2)CC(C)(C)O1 71831069 AERDNTYZGQQZQR-HNNXBMFYSA-N 332.448 1.230 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)[C@H]1CSCN1C(=O)CC(C)(C)C 71880153 PVWXHYGOXIKZOA-GFCCVEGCSA-N 343.493 1.261 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCNC(=O)CC1 71839605 SURBWHCDFUYSSV-UHFFFAOYSA-N 340.427 1.770 0 40 EDAB C[C@@H](OC(=O)CNC(=O)OC(C)(C)C)C(=O)N1CCCCCC1 83888835 HJDZXQSVWZGOHE-GFCCVEGCSA-N 328.409 1.845 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C(=O)[C@@]1(C)CC1(Cl)Cl)C1CC1 71904477 FTBBKHVUPNTMDU-LDYMZIIASA-N 328.261 1.994 0 40 EDAB Cc1nnc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)OCCCO3)o1 84291353 QTIZGBWPBRFFJS-SECBINFHSA-N 339.373 1.579 0 40 EDAB C[C@H]1OCC[C@H]1S(=O)(=O)N(CCN(C)C)Cc1cccc(F)c1 97166225 SCMOEVULZMVJKI-CZUORRHYSA-N 344.452 1.697 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 72301150 ZUMJOGDPUGNYCL-QWHCGFSZSA-N 327.450 1.637 0 40 EDAB CCc1ccc([C@H](CNC(=O)N2CCO[C@@H](CO)C2)N(C)C)cc1 78832550 DIEGUQWUXHILGJ-SJORKVTESA-N 335.448 1.254 0 40 EDAB CCC[C@@H](NC(N)=O)C(=O)N1Cc2ccccc2[C@H](n2cccn2)C1 95413249 NHVDCVLWCDQQFR-HZPDHXFCSA-N 341.415 1.652 0 40 EDAB O=C(O)c1cccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1 95445255 HNEMXMIPLCJZEW-UHFFFAOYSA-N 330.384 1.859 0 40 EDAB Cc1cc(=O)c(C(=O)NCc2ccn(-c3ccc(F)cc3)n2)c[nH]1 95451067 YZDUNGWOAVGHPA-UHFFFAOYSA-N 326.331 1.938 0 40 EDAB O=C1CC[C@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C(=O)N1 95430606 AIIWQIIWWOZHHP-JTQLQIEISA-N 349.799 1.999 0 40 EDAB Cc1noc(COCC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)n1 73205354 PZIIOYKUWQTNCB-GFCCVEGCSA-N 341.371 1.958 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC3(CCCCC3)C2)C1=O 78877443 GDVWNRVZZLMAQJ-QGZVFWFLSA-N 333.432 1.890 0 40 EDAB Cn1c(CNC(=O)[C@H](c2ccccc2)n2cnnn2)nc2ccccc21 79484363 MSRKYUSTJVIYND-KRWDZBQOSA-N 347.382 1.466 0 40 EDAB Cc1noc(CCN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)n1 89518564 NYIWHJNFWAEDRZ-VIFPVBQESA-N 327.381 1.814 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@H](C)C1CC1 75123075 RATWSIDEPKEKMJ-NSHDSACASA-N 326.400 1.845 0 40 EDAB COCCN1CCC(CNC(=O)c2cc(C)cc3c[nH]nc23)CC1 89610708 PCKWIEHGOAWRSF-UHFFFAOYSA-N 330.432 1.960 0 40 EDAB COC(=O)CSc1nc2nc(C)c(-c3ccccc3)c(N)n2n1 20676227 KEDSPGGWVJYSMF-UHFFFAOYSA-N 329.385 1.947 0 40 EDAB CC(C)(C)c1nn2c(C(Cl)(Cl)Cl)nnc2n(N)c1=O 27525933 BMEPJZKNIVEULP-UHFFFAOYSA-N 325.587 1.124 0 40 EDAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC2CC2)cc1 408604303 LWIIICFPRJOMND-LBPRGKRZSA-N 340.445 1.667 0 40 EDAB O=C(Nc1nnc(SCCN2CCOCC2)s1)C1CCC1 35311290 AQHVRCJOXTVQGM-UHFFFAOYSA-N 328.463 1.701 0 40 EDAB C[C@@H](C(=O)N1CCC(c2noc3cc(F)ccc23)CC1)n1cnnn1 524733460 SXIQOVZMTTZIMM-JTQLQIEISA-N 344.350 1.921 0 40 EDAB CSCC[C@@H](C(=O)NC(C)C)n1c(O)nc2ccccc2c1=O 524732336 OGZOYCLQCVFTSG-ZDUSSCGKSA-N 335.429 1.921 0 40 EDAB O=C(/C=C/c1cscn1)N1CCCN(CC(=O)N2CCCC2)CC1 79050157 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0 40 EDAB O=C(NCCSc1ncn[nH]1)c1cnn(Cc2ccccc2)c1 225888729 MAMQMLDKKYLTPB-UHFFFAOYSA-N 328.401 1.572 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCCCC1 41247778 JYZXMFOJDYDUQP-ZDUSSCGKSA-N 340.445 1.683 0 40 EDAB CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 224382541 AYTRKIFBQOCUAW-LSDHHAIUSA-N 347.525 1.837 0 40 EDAB CSc1nnc(NC(=O)c2ccccc2NS(C)(=O)=O)s1 225684531 YASJCPZIZAFCET-UHFFFAOYSA-N 344.443 1.884 0 40 EDAB Cc1noc([C@@H]2CCO[C@@H]3CCN(S(=O)(=O)CC(C)C)C[C@@H]32)n1 96066377 OYMSSTMSTGFANE-MGPQQGTHSA-N 343.449 1.558 0 40 EDAB Cn1cc(C(=O)N2CC[C@H]3OCC[C@@]3(COc3ccccn3)C2)cn1 96218579 NWLWZXUHMNGQJG-QAPCUYQASA-N 342.399 1.515 0 40 EDAB O=C(C[C@@H]1CO[C@@H]2CN(Cc3ccccn3)C[C@H]12)Nc1cnccn1 96218917 MNSMARJRVKGLSH-FVQBIDKESA-N 339.399 1.347 0 40 EDAB O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccoc1)c1ccnnc1 96082663 LWFRJOUVZXAJPX-BHYGNILZSA-N 342.399 1.479 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 96055509 JLUOEOSFHCNRBK-AEGPPILISA-N 338.429 1.432 0 40 EDAB CCOC(=O)[C@H]1CN(C(=O)C2CCOCC2)Cc2ncn(CC)c21 96059398 UIKPMBVUOUOUDX-ZDUSSCGKSA-N 335.404 1.319 0 40 EDAB COC[C@@H]1CC2(CCN(C(N)=O)CC2)CN1Cc1csc(C)n1 96240364 KHZHYOQUHVFYHC-AWEZNQCLSA-N 338.477 1.833 0 40 EDAB Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCCc1cscn1 96411231 HVFNFGGJVNHOCI-HNNXBMFYSA-N 342.428 1.581 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccco1)C2)c1cscn1 96206839 IDZHFUYELVSSPG-WBMJQRKESA-N 333.413 1.615 0 40 EDAB c1ccc(CN2CCO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 96226461 KIJGXAHJTQXXAH-SFHVURJKSA-N 325.416 1.743 0 40 EDAB Cc1noc([C@H]2C[C@H](O)CN2C(=O)Nc2cnc3c(c2)CCC3)n1 583621461 OODUDEPRMVMIGQ-GXTWGEPZSA-N 329.360 1.602 0 40 EDAB COCCN1CCO[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2C1 96249619 FYOWXGQEZIFUHS-RTBURBONSA-N 346.471 1.815 0 40 EDAB Cn1cc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2ccccn2)cn1 248123719 KVVPMGNEXUAMHR-OAHLLOKOSA-N 342.399 1.263 0 40 EDAB COCC(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cc(C)ccc3C)C[C@@H]21 247846629 PUHQYHKIDAOCTP-KZNAEPCWSA-N 332.444 1.513 0 40 EDAB Cc1cc(NCCCc2ncnn2C)n2nc(C(F)(F)F)nc2n1 585092388 UGJBMNMZMDCBRY-UHFFFAOYSA-N 340.313 1.625 0 40 EDAB O=C(COc1ccc(F)cc1)N1CCOC[C@@H]1CCc1cnccn1 257295753 QZRXUKJCZONQBR-INIZCTEOSA-N 345.374 1.855 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)nc1 252503475 VDCFTLNHUZXRNH-JTQLQIEISA-N 333.369 1.910 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)COc2ccccc2Cl)CCO1 257336128 YNIGDPBRZYRGJH-ZDUSSCGKSA-N 348.790 1.691 0 40 EDAB O=C(c1cc[nH]n1)N1CCOC[C@@H](Cc2ccc3[nH]ncc3c2)C1 257220641 DLOHYHYSICNALD-ZDUSSCGKSA-N 325.372 1.617 0 40 EDAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(C)nc(C)n2)C1 257294192 QSZYZZRCXNKAFJ-AWEZNQCLSA-N 328.438 1.053 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2cc3ccccc3s2)CCN(C(C)=O)C1 257330077 XMRIWFWYQPPSMI-OAHLLOKOSA-N 345.468 1.928 0 40 EDAB CC(C)(C)[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(N)=O)CCO1 279374210 QFEFLCGFLUMPOR-HUUCEWRRSA-N 333.432 1.540 0 40 EDAB Cc1csc([C@@H]2COCCN2C(=O)COCc2ccnn2C)n1 285096575 WHSSUAJIRRZMNF-ZDUSSCGKSA-N 336.417 1.302 0 40 EDAB O=C(Cc1noc2ccccc12)N1CC[C@H](Oc2ncc(F)cn2)C1 390827811 KMUHKALDCBACPX-LBPRGKRZSA-N 342.330 1.979 0 40 EDAB O=C(Cc1ccncc1)N1CC[C@@](O)(COc2cccc(F)c2)C1 585275829 FVQKNSIJMYPRNL-SFHVURJKSA-N 330.359 1.806 0 40 EDAB CC(C)(C)OC(=O)[C@@]1(NC(=O)c2ccc(O)c(F)c2)CCOC1 585141501 ANXKTKZBTKNYJR-MRXNPFEDSA-N 325.336 1.762 0 40 EDAB CCN1CC[C@]2(CN(C(=O)Cc3ccn(C)n3)CC(F)(F)C2)C1=O 585093391 UALCECPYPSLWSQ-HNNXBMFYSA-N 340.374 1.069 0 40 EDAB CC(=O)NCCNC(=O)N(Cc1cccs1)C[C@H]1CCCO1 43141329 ILEFFYQASJHJHM-CYBMUJFWSA-N 325.434 1.575 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 44741107 JBFBLHDGAIORLG-PKOBYXMFSA-N 345.487 1.739 0 40 EDAB COc1cc(CNC(=O)N2CCN(Cc3ccco3)CC2)ccn1 45522022 KYPQVQWZUMOMSG-UHFFFAOYSA-N 330.388 1.711 0 40 EDAB COc1cccc(CNS(=O)(=O)N2CCCCCC2)c1OC 56118558 IPOJRJQTKVQFED-UHFFFAOYSA-N 328.434 1.914 0 40 EDAB O=C1CC[C@@H](C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)N1 68105118 YLFGLFSHAKOSGO-HOTGVXAUSA-N 338.411 1.704 0 40 EDAB CCc1noc([C@@H](C)N2CCN(CC(=O)Nc3cccnc3)CC2)n1 69418328 KFIFCHVORMYEHM-CYBMUJFWSA-N 344.419 1.344 0 40 EDAB Cc1ccc2nc(CN3CCn4c(nnc4C(C)C)C3)cc(=O)n2c1 69951504 YSTAQITWJSHSRA-UHFFFAOYSA-N 338.415 1.734 0 40 EDAB CN(C)[C@H](CNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)C1CC1 65516712 DZRUNLOCZAFHJB-CHWSQXEVSA-N 343.493 1.753 0 40 EDAB CCn1c(CCNC(=O)c2cc(=O)[nH]c3ccccc23)n[nH]c1=S 71882425 WJGVWLQIEOSSJE-UHFFFAOYSA-N 343.412 1.775 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(c2cnccn2)C1)c1cccc(F)c1 104658814 ZZKXCVWRAHLBJB-CYBMUJFWSA-N 336.392 1.563 0 40 EDAB O=C(Cn1cnc2c1CCNC21CCOCC1)NCC1CC=CC1 1614627912 WUCNYDLPTFYXRI-UHFFFAOYSA-N 330.432 1.117 0 40 EDAB CC[C@H](C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)C1(O)CCCCC1 1615586816 PPAMEOWGPLNNIS-IKGGRYGDSA-N 338.492 1.765 0 40 EDAB CO[C@@H](C)c1nc(-c2nn(C)cc2I)no1 1616037476 CQNFLTJCCQEMCV-YFKPBYRVSA-N 334.117 1.782 0 40 EDAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 12914657 ZFFIROCSERMKMX-UHFFFAOYSA-N 343.314 1.720 0 40 EDAB COc1cccc(-c2nnn(CCN3C(=O)c4ccccc4C3=O)n2)c1 14139310 VLSRPQMXSWFLCF-UHFFFAOYSA-N 349.350 1.645 0 40 EDAB Cc1noc(CCC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)n1 19746157 STIMNVDMPMKGTI-UHFFFAOYSA-N 346.391 1.205 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1ccnc(N2CCCC2)n1 206726388 AFTNZENGLYNFFS-UHFFFAOYSA-N 337.405 1.160 0 40 EDAB Cc1c([C@H](NS(=O)(=O)c2ccccc2Cl)C(=O)O)cnn1C 530540828 HUOPHUQGHOIXHJ-LBPRGKRZSA-N 343.792 1.486 0 40 EDAB O=C([C@@H]1CN(c2ncc(Cl)cc2F)CCO1)N1CCSCC1 1888834185 FQCDHOXPBVFRHY-LBPRGKRZSA-N 345.827 1.655 0 40 EDAB CCOC(=O)C1=CN(Cc2nc(C(C)C)no2)S(=O)(=O)N=C1C 1889116257 CMLGKVWXMLVSLH-UHFFFAOYSA-N 342.377 1.161 0 40 EDAB Cc1cccc(C(=O)N2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)n1 2037984929 SBZLBKIMERJEML-GOSISDBHSA-N 331.416 1.490 0 40 EDAB CC(C)N(C)CC(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 1565549656 YGPFRBCBFVDAEH-RYRKJORJSA-N 333.432 1.559 0 40 EDAB O=C(NCc1cccs1)C(=O)N1CCN(c2ccc(F)cc2)CC1 10326559 VPIFMIZSWDLCJD-UHFFFAOYSA-N 347.415 1.852 0 40 EDAB O=C(NC1CCC1)[C@H]1C[C@H]2CN(C(=O)c3cccc(Cl)n3)C[C@H]1O2 2055738664 IDIJFHFKRLBIGH-SGMGOOAPSA-N 349.818 1.633 0 40 EDAB COCCn1ncc2c1COC[C@H]2CNC(=O)C1CC(F)(F)C1 2055759356 OWCCNHXRMHWEIE-LLVKDONJSA-N 329.347 1.305 0 40 EDAB COC1CCN(C2CN(C(=O)Nc3ccc4c(c3)OCO4)C2)CC1 575610322 JDSJHKFGXXLWNZ-UHFFFAOYSA-N 333.388 1.742 0 40 EDAB COc1nc(CNC(=O)Nc2cccc(Cl)c2)nc(N(C)C)n1 575608195 RYODVRARMNBFJP-UHFFFAOYSA-N 336.783 1.921 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NCc1cc(C2CC2)ncn1 585360075 DLBQGYAORYTPNY-UHFFFAOYSA-N 335.367 1.380 0 40 EDAB CC(C)Oc1cccc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 2298099131 QIMFNUNDJVKMTA-UHFFFAOYSA-N 339.403 1.862 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)NCC[C@H](O)c2ccoc2)cc1 90613258 KVIWZSHRHBFAQP-AWEZNQCLSA-N 346.339 1.245 0 40 EDAB CN1CCc2cc([C@H](O)CNC(=O)c3ccc4c(c3)OCO4)ccc21 96362260 OUBHKECWTDQYKN-MRXNPFEDSA-N 340.379 1.871 0 40 EDAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 50255940 ORCKGXCQMNZMJZ-LLVKDONJSA-N 342.465 1.044 0 40 EDAB CN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccc2F)c2ccccc21 40286126 OWYZPZXORGIPQX-HNNXBMFYSA-N 341.342 1.276 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)NCc2cn3ccccc3n2)c1 30995301 AWTXYBKHVXXLEX-UHFFFAOYSA-N 345.384 1.303 0 40 EDAB Cc1ccc(-c2noc(CCC(=O)N[C@H]3CCCCNC3=O)n2)cc1 40521754 PQFVVGGQBXFMTD-AWEZNQCLSA-N 342.399 1.763 0 40 EDAB Cc1nn(CC(=O)NCCN2CCC(C)CC2)c(=O)c2ccccc12 40534661 SQACROYOWUTSFR-UHFFFAOYSA-N 342.443 1.553 0 40 EDAB Cc1cc(C)cc(OCCC(=O)N2CCN(S(C)(=O)=O)CC2)c1 40520943 YYOOJRMXPBMNOW-UHFFFAOYSA-N 340.445 1.176 0 40 EDAB Cc1nc(SCCn2nc3ccccn3c2=O)sc1CC(N)=O 31849832 VHGNSJUAMZXMDD-UHFFFAOYSA-N 349.441 1.081 0 40 EDAB COc1ccc(Nc2nc(NCCO)c3nccnc3n2)cc1OC 32096761 RNMIFSHRYJVYLH-UHFFFAOYSA-N 342.359 1.585 0 40 EDAB Cc1cc(C)cc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)c1 308621 VONZUYAIJJUZIG-UHFFFAOYSA-N 347.440 1.781 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(CCC(=O)NC2CCCCC2)CC1 69707291 NKYVTLGPXRZBHG-KRWDZBQOSA-N 339.524 1.850 0 40 EDAB CN1N=C(C(=O)NCc2ccc(Br)c(F)c2)CCC1=O 69740846 IDSJYQJXEYCOLL-UHFFFAOYSA-N 342.168 1.813 0 40 EDAB CCCn1c(=O)n(-n2cnnc2)c(=O)c2c3c(sc21)CCCC3 32104121 GMIFNADTFYGEMS-UHFFFAOYSA-N 331.401 1.416 0 40 EDAB NC(=O)CSc1nnc2n(C3CCCC3)c(=O)c3ccccc3n12 1331529 QQKQBUVDIPYHGU-UHFFFAOYSA-N 343.412 1.737 0 40 EDAB CCOc1ccc2oc(C(=O)OCC(=O)NC(=O)NC)c(C)c2c1 3434248 DQPNRUJBKRWERN-UHFFFAOYSA-N 334.328 1.752 0 40 EDAB CC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 4787525 FYUIRLBRDLCDEY-QGZVFWFLSA-N 347.371 1.097 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)NC1CCCCCC1 100466696 QJCXTFPFAWZWOQ-UJARPBSLSA-N 342.439 1.879 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 8129663 CAFPKXLJJNHTKJ-ZDUSSCGKSA-N 335.429 1.915 0 40 EDAB C[C@@H](C(=O)Nc1nccs1)N(C)CC1CCN(C[C@@H](C)O)CC1 69739706 UQRJBIDZBLAEKG-OLZOCXBDSA-N 340.493 1.495 0 40 EDAB CNC(=O)c1cccc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)n1 91957053 RGBZRMMEZQGEGP-SNVBAGLBSA-N 344.337 1.654 0 40 EDAB C[C@H]1CN(CCNC(=O)c2cccnc2N2CCCC2)C[C@H](C)O1 42032139 HQGZIMXZZVVJGW-GJZGRUSLSA-N 332.448 1.521 0 40 EDAB CCCn1nc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)ccc1=O 22672769 IITBYEMVDSZFHX-UHFFFAOYSA-N 344.323 1.422 0 40 EDAB COc1ccc(S(=O)(=O)NC2CCN(C(C)=O)CC2)cc1Cl 42157856 DZQVRJICNIAWCT-UHFFFAOYSA-N 346.836 1.638 0 40 EDAB Cc1cc([C@H](C)NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c(C)s1 47493192 JNSBUVYVLDPILS-WCQYABFASA-N 344.502 1.661 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccnc1 23156727 DPKPLMMMSDOYJF-SFHVURJKSA-N 336.351 1.414 0 40 EDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(Cl)c[nH]2)C1=O 23455520 VFOSUXWKMHGKSZ-HNNXBMFYSA-N 332.747 1.780 0 40 EDAB CC(C)CN1CCO[C@H](CN2C(=O)c3ccccc3S2(=O)=O)C1 42754567 CXBUWSGKAPZCPQ-ZDUSSCGKSA-N 338.429 1.188 0 40 EDAB O=C(CCc1nc(-c2ccsc2)no1)NCCC(=O)N1CCCC1 25253783 WGPBCVWEEBOYAX-UHFFFAOYSA-N 348.428 1.859 0 40 EDAB Cc1ccnc2nc(C(=O)OCc3noc(-c4ccco4)n3)nn12 24044939 GYVHVXYAUZXRON-UHFFFAOYSA-N 326.272 1.433 0 40 EDAB CN1CCC[C@H](NC(=O)[C@@H]2[C@H]3C(=O)Nc4ccccc4C(=O)[C@@]32C)C1 100217289 GMUNRPOIMCTCMF-MBIOBJJBSA-N 341.411 1.284 0 40 EDAB Cc1c(NC(=O)[C@@H](NC(N)=O)C(C)C)c(=O)n(-c2ccccc2)n1C 3256405 KIXZSEDJQYPRQV-ZDUSSCGKSA-N 345.403 1.116 0 40 EDAB CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607472 HTVRWWDCUXEJEI-UHFFFAOYSA-N 344.864 1.970 0 40 EDAB O=C(Nc1nnc(C2CC2)s1)NC1CCN(c2ncccn2)CC1 43359106 BXAZFRCDUNIGQH-UHFFFAOYSA-N 345.432 1.996 0 40 EDAB Cn1nc(C(=O)Nc2ccc(-n3ccnc3)nc2)c2ccccc2c1=O 25007380 BDONPZUGJZKDRM-UHFFFAOYSA-N 346.350 1.767 0 40 EDAB CN1CCO[C@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 106666540 PUBFMGYUUHVNQJ-HUUCEWRRSA-N 328.840 1.138 0 40 EDAB CCCOC(=O)c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1 48020427 ALQOGVUTNNDHDG-UHFFFAOYSA-N 333.388 1.997 0 40 EDAB N[C@@H](CS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)O 100856061 UXFZWPXGWNQYML-UWVGGRQHSA-N 328.777 1.117 0 40 EDAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccncc2)cc1 12632862 VRGPPOXEUMUHCC-UHFFFAOYSA-N 335.385 1.259 0 40 EDAB O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)[C@H](O)c1ccccc1 108144013 VPXIAYYHENMSMX-GBESFXJTSA-N 340.423 1.472 0 40 EDAB Cc1ccnc2nc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)nn12 26937264 RDUDUHOBMSVOGN-OAHLLOKOSA-N 336.399 1.562 0 40 EDAB O=C(Cn1cnnn1)Nc1cccc(OCc2cn3ccccc3n2)c1 69817381 PKQVYNUAQLKNAU-UHFFFAOYSA-N 349.354 1.539 0 40 EDAB CSc1cccc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)c1 65404228 CWUWFDOSOLZFFN-JTQLQIEISA-N 335.429 1.142 0 40 EDAB COc1ccc(CNC(=O)N[C@H](C)C(=O)NC2CCCC2)cc1OC 58014199 KLAPIPLSUDDIGS-GFCCVEGCSA-N 349.431 1.950 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(N2CCNC2=O)cc1 58086976 BQAJPUBZHXDOLW-LBPRGKRZSA-N 328.376 1.623 0 40 EDAB O=C(c1ccc(O)cc1)C1CCN(C(=O)CN2CCSC2=O)CC1 44895910 FGGRYGIYVXPZPZ-UHFFFAOYSA-N 348.424 1.982 0 40 EDAB CS(=O)(=O)CCCNC(=O)/C=C/c1ccc(OC(F)F)cc1 58246050 ZQGZUACFMWMWEF-VMPITWQZSA-N 333.356 1.852 0 40 EDAB C[C@H](CC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1)C1CC1 58218502 KEGUGNOEQWYYQI-CQSZACIVSA-N 340.431 1.747 0 40 EDAB CCOC(=O)c1nn(-c2ccccc2)cc1OCCS(C)(=O)=O 58264569 OOYQUHJJCNUTNJ-UHFFFAOYSA-N 338.385 1.472 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)N(C)Cc1ccncc1 58215545 NKLBLEIWVYSRQN-UHFFFAOYSA-N 327.384 1.869 0 40 EDAB CC[C@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)O 2112564 JMJZMJKLHZDUCT-LBPRGKRZSA-N 347.367 1.940 0 40 EDAB biogenic O=C(NCc1nnc2n1CCCCC2)c1cnn(-c2ccccc2)n1 48276544 UESCZHABWBTGLP-UHFFFAOYSA-N 337.387 1.515 0 40 EDAB CCCN1CCC(NC(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 44915185 WNKPMXMRWHGQDW-UHFFFAOYSA-N 345.443 1.941 0 40 EDAB Cc1cc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)no1 44916604 UKZOKDBAGIYNTM-ZDUSSCGKSA-N 328.372 1.385 0 40 EDAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 58328688 YACRGAFCIDMTSU-CQSZACIVSA-N 342.351 1.929 0 40 EDAB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](C)c1nncn1C 58417978 BRSAQQPJXZRQCS-MZWKFTRPSA-N 327.388 1.210 0 40 EDAB CC(=O)NCC1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 48357040 LIILGNHQWGYZFL-UHFFFAOYSA-N 338.429 1.078 0 40 EDAB COC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 10864449 NWJFVAKDUNEANH-UHFFFAOYSA-N 330.431 1.521 0 40 EDAB O=C1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CCN1 12896737 QDDDRRVKYJQDLZ-ZDUSSCGKSA-N 349.818 1.151 0 40 EDAB Cc1ccn(CCNC(=O)c2cc(-c3ccccc3)nc3ncnn23)n1 36619126 GHCOKHNCAFBHIA-UHFFFAOYSA-N 347.382 1.726 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 8263588 WFCRTMGLWUCPJE-GOSISDBHSA-N 327.384 1.686 0 40 EDAB COC(=O)CNC(=O)COC(=O)c1ccc2c3c(cccc13)CC2 12934921 AVGHMMJJKYYOEV-UHFFFAOYSA-N 327.336 1.384 0 40 EDAB COC(=O)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(SC)cc1 70003868 ICKWCIXJIYNGNZ-CHWSQXEVSA-N 336.413 1.408 0 40 EDAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CC(OC)C3)c2)n1 70009024 XIMWRKUCVFDYRW-UHFFFAOYSA-N 344.371 1.912 0 40 EDAB COCCOc1ncccc1C(=O)Nc1ccc2c(c1)oc(=O)n2C 69379417 OLVWBOXSCZDYKV-UHFFFAOYSA-N 343.339 1.804 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N(C)C)[C@@H]2C)cc1 13119408 ICGJEDLPZKQVHS-VXGBXAGGSA-N 341.433 1.418 0 40 EDAB NC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 4061738 KASQXRZPOXJHEQ-KKXDTOCCSA-N 332.400 1.569 0 40 EDAB biogenic Cc1cc(N(C)C)nc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1 69952144 RVQMPJSMOJOEQO-OAHLLOKOSA-N 329.452 1.976 0 40 EDAB Cn1cnnc1CNC(=O)CCc1ccc(Br)cc1F 49475039 OCPBEVYELGMIDE-UHFFFAOYSA-N 341.184 1.966 0 40 EDAB O=C(/C=C/c1ccco1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 69922267 SOFNJMRQVIIWBD-MFHOCJEASA-N 338.429 1.061 0 40 EDAB COC(=O)c1sccc1NC(=O)C(=O)NCc1c(C)noc1C 13735490 BFKUFQKDEQMBAS-UHFFFAOYSA-N 337.357 1.394 0 40 EDAB COC(=O)CCCCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 69973425 OCXNQNMKDIOXEU-YOEHRIQHSA-N 347.415 1.451 0 40 EDAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)N1CCCCC1 69630055 LYBZSZPZTPHHOO-CYBMUJFWSA-N 339.461 1.339 0 40 EDAB COc1cc(CNC(=O)Cc2c(C)noc2C)ccc1OCC(N)=O 65464862 HMEWXJFLMYXBHX-UHFFFAOYSA-N 347.371 1.023 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCc1nc(-c2ccccc2)no1 65458629 LLKJQOHGIJODQK-GXTWGEPZSA-N 342.399 1.782 0 40 EDAB O=C(CNc1ccc(OCCO)cc1C(F)(F)F)N1CCNC1=O 65502200 USUMMNHXDCVGBC-UHFFFAOYSA-N 347.293 1.040 0 40 EDAB C[C@@H](OCC1CC1)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 65550606 XEVUDUWNJKKHJH-MRXNPFEDSA-N 345.487 1.865 0 40 EDAB Cc1nn(C(F)F)c(C)c1CC(=O)NCCN1C(=O)CSC1=O 65593055 KYJMCGUUASENTD-UHFFFAOYSA-N 346.359 1.249 0 40 EDAB CCC(CC)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 65539501 WGLCAGAPEISZGJ-UHFFFAOYSA-N 332.448 1.673 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@H]2COc3ccccc3O2)cc1 5353304 JIYZCYHTMJQVFZ-AWEZNQCLSA-N 342.351 1.590 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 65606785 RGEZGIDNVPBZLN-HTQZYQBOSA-N 348.325 1.818 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC(=O)NC3CCCCC3)CC2)n1 65609653 WCFKKGFYWFPWLG-ZDUSSCGKSA-N 335.452 1.506 0 40 EDAB CCOc1ccc(N2C(=O)C[C@@H](N3CCCC[C@@H]3CCO)C2=O)cc1 6719966 IXESDGLPLDUDGU-RHSMWYFYSA-N 346.427 1.954 0 40 EDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)[C@@H]1CCCO1 7293739 UNKDTCRBIZGSMQ-RISCZKNCSA-N 332.356 1.473 0 40 EDAB Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)N2CCNC2=O)s1 7520860 PWZLXVBWFKVINZ-UHFFFAOYSA-N 345.380 1.827 0 40 EDAB Cc1ccc(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)s1 93735961 NESXRCQDHLEEDM-UHFFFAOYSA-N 341.458 1.692 0 40 EDAB NS(=O)(=O)c1cc(C(=O)N2CCC[C@H](n3ccnc3)C2)cs1 71796544 IILASIQMLCXTQW-NSHDSACASA-N 340.430 1.069 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc(OCC(N)=O)cc2)cn1 71796923 KWJGGFHYDDKPKJ-HNNXBMFYSA-N 328.372 1.262 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1cc3ccccc3[nH]c1=O)C2 71860264 OWWOSKKZYMODNF-UHFFFAOYSA-N 349.394 1.948 0 40 EDAB O=C(Nc1cccnc1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 71883858 OMNFZSRHKRUVGW-CYBMUJFWSA-N 346.337 1.693 0 40 EDAB COc1cccc(NC2CCN(C[C@@H](O)Cn3cccn3)CC2)c1 71897354 BFNCRQWYNHIHNK-QGZVFWFLSA-N 330.432 1.829 0 40 EDAB O=S(=O)(CCCN1CCCC[C@@H]1Cn1cncn1)c1ccccc1 71876396 NWCVEMOCGLSQNL-MRXNPFEDSA-N 348.472 1.997 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccn(-c2cccc(F)c2)n1 71829445 NFRNMMRBZWWPFC-NEPJUHHUSA-N 330.363 1.737 0 40 EDAB O=C(NCCOc1ccc(F)cc1F)N[C@H]1CCCCNC1=O 71882507 BQXIVPPWLXOCTR-LBPRGKRZSA-N 327.331 1.312 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1nccn1CC(F)(F)F 71908266 CZFBDYKIZVFWQN-NEPJUHHUSA-N 348.369 1.561 0 40 EDAB Cn1ccnc1N1CCN(C(=O)[C@@H]2CCOc3ccccc32)CC1 72297744 FEROIXTXZXXGTQ-OAHLLOKOSA-N 326.400 1.635 0 40 EDAB O=C(CCCc1nc(C2CC2)no1)N1CCC[C@@H](n2cncn2)C1 72292365 JTYGGJXBGNPJGR-CYBMUJFWSA-N 330.392 1.725 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(CCOc3ccccc3F)CCO2)n1 72253425 IKHVCTNXYTYNCL-HNNXBMFYSA-N 334.395 1.814 0 40 EDAB O=C(Nc1c[nH]ccc1=O)c1cc(I)c[nH]1 72285794 RNNWWAFWENKTTC-UHFFFAOYSA-N 329.097 1.560 0 40 EDAB O=C(CN1C(=O)CSc2ccccc21)N[C@@H]1CCc2nccn2C1 97197788 LOZPMCTVJWYGPK-GFCCVEGCSA-N 342.424 1.453 0 40 EDAB Cn1cc(C(=O)NC2(c3ncon3)CCOCC2)c2ccccc21 97141944 PAQYWACNYJLDPB-UHFFFAOYSA-N 326.356 1.997 0 40 EDAB C[C@@H]1CN(CCNCc2cn(C)nc2-c2ccncc2)C[C@@H](C)O1 97159995 NDRLPDWPDINECC-HUUCEWRRSA-N 329.448 1.681 0 40 EDAB NC(=O)Cn1cc(C(=O)N(Cc2ccccc2)C2CCCCC2)nn1 72302883 UVDUIVBSCZDLGQ-UHFFFAOYSA-N 341.415 1.739 0 40 EDAB O=C(CCc1nc2cccnc2[nH]1)Nc1ccc(O)c(C(=O)O)c1 72325361 AMRVJWNVUFXCPL-UHFFFAOYSA-N 326.312 1.933 0 40 EDAB biogenic CC[C@H](CO)NCc1ccc(OCC(=O)N2CCCC2)c(OC)c1 72658950 GROSQYJPNKOIPQ-OAHLLOKOSA-N 336.432 1.557 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c4c(cccc24)CC3)C1 95367674 SSCFKRVWLUUUOZ-CYBMUJFWSA-N 337.379 1.211 0 40 EDAB Cc1nnccc1NC(=O)CCn1nc(O)c2ccccc2c1=O 95468144 YELFSHLWXOWYFE-UHFFFAOYSA-N 325.328 1.229 0 40 EDAB COc1ccc(CN2CCN(S(=O)(=O)CCCF)CC2)cc1 95408797 FDLWKFGXBOXYQL-UHFFFAOYSA-N 330.425 1.502 0 40 EDAB COC(=O)c1ccccc1CS(=O)(=O)N[C@@H](C)[C@H](CO)SC 95443837 FYWNWWLHRQBKFS-GWCFXTLKSA-N 347.458 1.005 0 40 EDAB C[C@](CO)(NC(=O)NC[C@@H]1CCS(=O)(=O)C1)C1CCCCC1 88482404 CRBANEHYTVIGCF-SWLSCSKDSA-N 332.466 1.052 0 40 EDAB C[C@H](C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1)n1cccn1 95965350 LBBGHVPGVFQCSL-GDBMZVCRSA-N 327.384 1.945 0 40 EDAB Cc1noc(C)c1CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 95955149 HYBMYMVYZRPQSM-HNNXBMFYSA-N 327.384 1.956 0 40 EDAB NC(=O)[C@H]1CCC[C@@H]1NC(=O)COc1cccc(C(F)(F)F)c1 78879300 PTPGQWIHIVURSC-RYUDHWBXSA-N 330.306 1.854 0 40 EDAB Cc1nc(C)n(-c2ccccc2NC(=O)NCc2ccnn2C)n1 89260453 FDUYAHIQWRNZFU-UHFFFAOYSA-N 325.376 1.939 0 40 EDAB CCn1cc(S(=O)(=O)N(CCCO)[C@H]2CCc3ccccc32)cn1 89309885 NQAIAWIWLDQFCL-KRWDZBQOSA-N 349.456 1.964 0 40 EDAB C[C@H]1CN(S(=O)(=O)Nc2cccc3c2OCCO3)[C@H](C)CO1 78902683 JCUHHQLHMIGXTC-MNOVXSKESA-N 328.390 1.224 0 40 EDAB Cc1oc2nc(Cn3c(-c4ccccn4)noc3=O)nc(N)c2c1C 89558699 OLOBBEJCKMSDCY-UHFFFAOYSA-N 338.327 1.682 0 40 EDAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCN1CCOCC1 20492967 AGFHDUDGYBKRTB-KRWDZBQOSA-N 336.432 1.691 0 40 EDAB O=C(NCCn1cccn1)N1CCCN(C(=O)c2ccsc2)CC1 114972524 LGKXESXMRCGFTK-UHFFFAOYSA-N 347.444 1.502 0 40 EDAB CCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 39985833 AHYPGEBRGCTCCJ-CYBMUJFWSA-N 342.461 1.914 0 40 EDAB COc1ccc([C@@H](NS(=O)(=O)c2cccnc2)C(=O)O)cc1F 547891318 WGQQKSIGKJGJQZ-CYBMUJFWSA-N 340.332 1.334 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCN(C(=O)CC2(O)CCCC2)CC1 73097007 DXGHSVWYVLOPPD-UHFFFAOYSA-N 348.418 1.734 0 40 EDAB CCc1ccc(S(=O)(=O)NCCn2cnc(C)c(C)c2=O)s1 75166406 DJAWRQYKZDDRQO-UHFFFAOYSA-N 341.458 1.463 0 40 EDAB CN1CCC[C@@H](N2CCN(c3nc4ccccc4cc3CO)CC2)C1 77979558 FIIOUKUOPPPUNH-GOSISDBHSA-N 340.471 1.943 0 40 EDAB COc1ccc(OC)c([C@H](C)NC(=O)c2nc3ncccn3n2)c1 36618698 JBPRQLVIDPIJIA-JTQLQIEISA-N 327.344 1.633 0 40 EDAB CC(C)n1cnc(S(=O)(=O)NC[C@]2(O)CCCc3occc32)c1 1565522498 JGAJHZSCKGBHQC-OAHLLOKOSA-N 339.417 1.559 0 40 EDAB Cc1c(CN2CCC(c3cccc(CCC(N)=O)n3)CC2)cnn1C 72367176 DKISBBVFXZAVTN-UHFFFAOYSA-N 341.459 1.921 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1C 226746371 OCLIGNHODSIUHG-UHFFFAOYSA-N 349.412 1.624 0 40 EDAB COC(=O)c1c[nH]nc1S(=O)(=O)Nc1cccc(SC)c1 48991491 DOXJYKNHLBEDOB-UHFFFAOYSA-N 327.387 1.719 0 40 EDAB O=C1CCSC[C@@H](C(=O)Nc2nc3ccc(F)cc3s2)N1 227115480 UMDNRYQMYQNGIC-VIFPVBQESA-N 325.390 1.996 0 40 EDAB C[C@@H](CCNC(=O)N1CCCNC(=O)[C@H]1C)N(C)Cc1ccccc1 191436935 JUGCDQOYIYPBHH-JKSUJKDBSA-N 346.475 1.817 0 40 EDAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COC(C)C 224428894 YAQSZSKQWZOGQJ-UHFFFAOYSA-N 334.416 1.958 0 40 EDAB O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1ccc(Br)o1 225785928 KESURABUMIYFLU-QMMMGPOBSA-N 338.161 1.413 0 40 EDAB CC(C)c1nsc(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)n1 195535294 SZIPHDZLCQKKSD-CYBMUJFWSA-N 337.493 1.652 0 40 EDAB Cc1ccc(Cl)cc1-n1c(=O)[nH]c(C(=O)O)c(CN(C)C)c1=O 222667435 PCEZDRYZXJYYAV-UHFFFAOYSA-N 337.763 1.247 0 40 EDAB O=C(NCCc1ccc2[nH]ccc2c1)NCC1CCS(=O)(=O)CC1 225653920 LYWSELVQJPRICW-UHFFFAOYSA-N 349.456 1.834 0 40 EDAB CS(=O)(=O)[C@H]1CCCN(Cc2nc(CC(F)(F)F)no2)C1 330367834 GXKCSOMIOXJBAZ-QMMMGPOBSA-N 327.328 1.183 0 40 EDAB Cc1ccc(CN2Cc3ncn(C)c3[C@@H](COCC(=O)N(C)C)C2)o1 96044869 SEEIEBZDWIBNFC-CQSZACIVSA-N 346.431 1.526 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCCN(c2cccnc2)C1=O 97372313 UJCLVQXFGAYPCM-INIZCTEOSA-N 341.415 1.286 0 40 EDAB CN(C)C[C@H]1OC[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C[C@H]12 96185401 ZHXQJWPHEDYUIL-VBNZEHGJSA-N 342.436 1.413 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](CC[C@H](N)C(=O)OC(C)(C)C)C(=O)O 98091681 LRAFZQCKSJOTAB-UWVGGRQHSA-N 332.397 1.414 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(Cc1ccsc1)C2)N1CCOCC1 96205974 BRVJWRRNQPTJAS-WBVHZDCISA-N 336.457 1.445 0 40 EDAB O=C(c1cc[nH]n1)N1CCCn2cnc(COCc3ccco3)c2C1 96085071 OAKPDLZOMVBJML-UHFFFAOYSA-N 341.371 1.962 0 40 EDAB CC(=O)N1CCOC[C@H]1C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 96487006 PRWMJBLJUFMYKX-SJORKVTESA-N 330.428 1.886 0 40 EDAB O=C(c1ccncc1)N1CCCn2nnc(COCC3CC3)c2C1 96058850 NGDSRYSVAYXQFZ-UHFFFAOYSA-N 327.388 1.646 0 40 EDAB O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@H]1CO 97096049 KOYGWYSIVYUFDO-VIFPVBQESA-N 338.198 1.734 0 40 EDAB Cc1nnc(N2C[C@@H]3COC[C@]3(CNC(=O)c3ccccc3)C2)s1 96214985 YADUVXJFENYKKM-PBHICJAKSA-N 344.440 1.729 0 40 EDAB O=C(O)CCN(C(=O)c1cc(=O)c2ccccc2o1)C1CCOCC1 583650613 QHLQRQQAKVEHLF-UHFFFAOYSA-N 345.351 1.889 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2)c1ccco1 96108452 LXULFJXTYKPIBB-QAPCUYQASA-N 327.384 1.553 0 40 EDAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(C[C@H]2CCC=CO2)C1 247553097 WKRQPYILGBZGOA-VXGBXAGGSA-N 343.474 1.814 0 40 EDAB Cc1cnc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)cn1 257266105 MBPRVFLCNVYOEY-INIZCTEOSA-N 327.340 1.727 0 40 EDAB COc1cc(C(=O)N2CCC(C(N)=O)CC2)n(-c2ccccc2)n1 252492164 MENYGDGZCRJXOT-UHFFFAOYSA-N 328.372 1.218 0 40 EDAB CN(C)c1ncccc1CNC(=O)NC[C@H](O)COc1ccccc1 41491964 PTMCEAGAAVPLMW-HNNXBMFYSA-N 344.415 1.387 0 40 EDAB CC[C@H](C)C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 585083497 WDXGKZYHTAUOTJ-AWEZNQCLSA-N 345.443 1.719 0 40 EDAB COc1cccc(O)c1C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 585121519 ROEGEYNKRJZXBL-CYBMUJFWSA-N 332.400 1.779 0 40 EDAB CCOC(=O)C1([S@](C)=O)CCN(C(=O)c2ccccc2C)CC1 585126304 VUEVEYMKDPVYML-QHCPKHFHSA-N 337.441 1.911 0 40 EDAB COCCOc1cccc(C(=O)N2CCC[C@@H]2CS(C)(=O)=O)c1 585113677 KSQYOXWVHKBABU-CQSZACIVSA-N 341.429 1.361 0 40 EDAB CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ccc(O)c(F)c2)C1 585126646 FBVYQRHKSAFTQH-ZKYQVNSYSA-N 339.363 1.742 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCC=C(Cl)Cl)C1 585131444 VZCHKNQKPLBNIY-VIFPVBQESA-N 329.249 1.483 0 40 EDAB Cc1cc(C[C@H]2COCCN(C(=O)COc3cccnc3)C2)ncn1 257276301 NTDKFNZFKSIJHY-OAHLLOKOSA-N 342.399 1.277 0 40 EDAB COCCn1cc(CNC(=O)N[C@H](C)c2nnc3ccccn23)cn1 252493581 NDHFMHLZNPRTDS-GFCCVEGCSA-N 343.391 1.133 0 40 EDAB O=C(c1ncccn1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257265121 LXKAKYLYSSDMSW-AWEZNQCLSA-N 337.383 1.456 0 40 EDAB Cc1cccnc1C(=O)N1CC[C@H](O)[C@@H](N(C)C2CCOCC2)CC1 257302734 SECPGDLAUZQYNY-IRXDYDNUSA-N 347.459 1.466 0 40 EDAB CCCn1cc(CN2CCNC[C@@H]2c2cccc(C(=O)NC)c2)cn1 257257877 KRLSEWDBYBOQMB-GOSISDBHSA-N 341.459 1.799 0 40 EDAB O=C(CN1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1)N1CCCC1 257266456 MDDDULMSAVTDQL-IRXDYDNUSA-N 336.407 1.652 0 40 EDAB Cc1nc(O)cc(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 1616039929 ZQHYTBTXSOESKM-LLVKDONJSA-N 336.392 1.620 0 40 EDAB CCOC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 382640673 WEMVTQRPQILFOR-UHFFFAOYSA-N 335.165 2.000 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)c1ccc(OC(C)C)cc1 585279194 VDHULQXJZUOPPE-SFHVURJKSA-N 334.416 1.970 0 40 EDAB COCCNC(=O)[C@H]1CN(Cc2cccs2)Cc2ncn(C)c21 585110925 ZNAAVXUVIKVABZ-ZDUSSCGKSA-N 334.445 1.344 0 40 EDAB Cc1cc(NCCn2cnccc2=O)n2nc(C(F)(F)F)nc2n1 585142381 VKKVAUZGWMYLMZ-UHFFFAOYSA-N 339.281 1.120 0 40 EDAB CC(=O)N1CCC[C@H](NC(=O)CCC(=O)O)[C@@H]1Cc1ccccc1 585268820 AINDZRNCOSLNRF-HOTGVXAUSA-N 332.400 1.590 0 40 EDAB Cc1cccc(N2CCC(O)(CN3CCC[C@](C)(C(N)=O)C3)CC2)c1 585284625 UCSRQHABZLBJMY-IBGZPJMESA-N 345.487 1.914 0 40 EDAB C[C@]12CCC(=O)N1[C@H](C(=O)NCC(=O)NC1CCCCC1)CS2 58380354 MXUIWRVADWHXAB-LRDDRELGSA-N 339.461 1.006 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3nc(-c4cccnc4)no3)CCO2)c1 69451735 MWGSTNXEQDTTHI-HNNXBMFYSA-N 340.387 1.538 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)[C@@H](C)OCC3CC3)CC2)n1 69513935 UGHYTKCJHLEPHW-CYBMUJFWSA-N 334.420 1.339 0 40 EDAB CCc1nnc2n1CCN(C(=O)COCCOc1ccccc1)C2 69591518 JLJUXIIVMBFVBH-UHFFFAOYSA-N 330.388 1.278 0 40 EDAB CC(=O)NCCNS(=O)(=O)c1ccc(Br)cc1C 133230495 DRLPGUVHTQTTSF-UHFFFAOYSA-N 335.223 1.172 0 40 EDAB O=C(CN1CCC[C@@H](c2nc(O)n[nH]2)C1)Nc1nc2c(s1)CCC2 566701456 CEGIDWXXMQPWMW-SECBINFHSA-N 348.432 1.274 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)cn1 1615192828 YGPPZNKVDTXYGZ-IBGZPJMESA-N 326.396 1.836 0 40 EDAB O=C(O)CC1(NS(=O)(=O)c2cc(C(=O)O)ccc2F)CCC1 1616036185 OWRJKUYUDXQIDG-UHFFFAOYSA-N 331.321 1.200 0 40 EDAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)C(=O)Nc1ccon1 1775968380 DXYBFIRMWLPYSC-VIFPVBQESA-N 347.352 1.784 0 40 EDAB CN(C)[C@@H](CNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccco1 5935440 DDVNKJUABRAAKQ-IHRRRGAJSA-N 347.415 1.174 0 40 EDAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(N)=O)cc1OC 16032414 NSLZZAZISRNRBN-ZOCIIQOWSA-N 348.443 1.857 0 40 EDAB biogenic CCn1cnc2c(N3C[C@@H]4CN(C(=O)C5CC5)C[C@H]4C3)ncnc21 1888866757 HUIGRNOQRCCTRK-CHWSQXEVSA-N 326.404 1.151 0 40 EDAB CSc1nc(C)cc(N2CCN(c3ccc4nncn4n3)CC2)n1 1888888208 WKPHWALGHNQJJI-UHFFFAOYSA-N 342.432 1.271 0 40 EDAB Cc1cccc(NC(=O)CN2CCO[C@@H](C(=O)N3CCCCC3)C2)c1 1888928998 UKZQAPXYPFHHBS-QGZVFWFLSA-N 345.443 1.647 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCOc3ccccc32)n(C)c1 29701613 LOWPORQQFGIKRG-ZDUSSCGKSA-N 349.412 1.187 0 40 EDAB O=C([C@H]1CCCO1)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1776008354 DXWFFTDXITUSCN-MRXNPFEDSA-N 343.358 1.612 0 40 EDAB O=C(CNC(=O)C1(c2ccc(Br)cc2)CC1)NC1CC1 40047316 BVZMAGBZDNFEHB-UHFFFAOYSA-N 337.217 1.876 0 40 EDAB CCOc1nccn2c(CNC(=O)c3c(F)cccc3F)nnc12 245053612 PCVMIKFMUGKGRM-UHFFFAOYSA-N 333.298 1.731 0 40 EDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)C3CC(F)(F)C3)CC[C@@H]21 1565548184 ZBJGWNOGBVZGSS-GJZGRUSLSA-N 345.434 1.285 0 40 EDAB CC(C)N1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1 12441369 MYTCWHSPYYLTJG-UHFFFAOYSA-N 335.423 1.679 0 40 EDAB COCCn1ncc2c1COC[C@H]2CNC(=O)c1csc(C)n1 2055759393 UKHZCKNDNAXHDX-LLVKDONJSA-N 336.417 1.338 0 40 EDAB O=C(NCCOCCn1cccn1)c1cc(-c2ccccc2)on1 575619258 KFDPHSUONFZNLP-UHFFFAOYSA-N 326.356 1.985 0 40 EDAB O=C(NCCOCCn1cccn1)c1cccc(-n2cccn2)c1 575621212 ZGYFPNUTKPCLAY-UHFFFAOYSA-N 325.372 1.515 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCn1cc(-c2cccnc2)cn1 585148344 BBRQPEYEJSOVFD-UHFFFAOYSA-N 347.400 1.528 0 40 EDAB Cc1nc(CN2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)no1 2298188595 FPJHGXCSMXPOAF-LBPRGKRZSA-N 328.363 1.848 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@](O)(c2cccs2)C2CC2)no1 75155333 IEOPXMKEROMMCL-OAHLLOKOSA-N 335.385 1.397 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NCC[C@H](O)c1ccco1 77112279 LUENRILFRFAPDU-ZDUSSCGKSA-N 332.356 1.775 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCCn3ccnc3)CC2=O)cc1F 40489148 WHGSJIMTDSCVGS-AWEZNQCLSA-N 344.390 1.890 0 40 EDAB CN(CCCOc1ccccc1)C(=O)[C@H]1CCCN1S(C)(=O)=O 40514155 NMNAVBKBRRPDBE-OAHLLOKOSA-N 340.445 1.338 0 40 EDAB CCCn1nc(C(=O)NCCOc2ccc3c(c2)OCO3)ccc1=O 40541326 NXFWPJAUKSACAK-UHFFFAOYSA-N 345.355 1.191 0 40 EDAB O=C(NC1CCN(c2ncccn2)CC1)[C@H]1COc2ccccc2C1 40529256 GOAOETYZAZTWAO-OAHLLOKOSA-N 338.411 1.813 0 40 EDAB CCOC(=O)c1c(C)nn2c(=O)cc(COC(=O)[C@@H](C)CC)[nH]c12 101054434 QGXYDGXGTSVUGD-VIFPVBQESA-N 335.360 1.597 0 40 EDAB Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C)no1 416236 ZKZBXQWUFJKUQL-UHFFFAOYSA-N 330.373 1.904 0 40 EDAB Cc1ccc([C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)c2ccccc2)cc1 29234150 DLKVDGZWTWIWRO-LJQANCHMSA-N 349.390 1.751 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)Nc2ccc(Br)cc2)CCO1 51582302 UQBHXAKRPWDCIJ-JTQLQIEISA-N 328.166 1.167 0 40 EDAB CCCCOc1cccc(C(=O)NC(=S)Nc2nnn(C)n2)c1 1859941 USOWKAHLIVBZLO-UHFFFAOYSA-N 334.405 1.516 0 40 EDAB O=C(COc1cc(Cl)ccc1Cl)N[C@@H]1CCS(=O)(=O)C1 3531282 HPRDWYHNVLJAHF-SECBINFHSA-N 338.212 1.676 0 40 EDAB CN(C)c1ncccc1CNS(=O)(=O)c1cc(F)cc(F)c1 32437988 DZMLXCMLMWONED-UHFFFAOYSA-N 327.356 1.904 0 40 EDAB CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)Nc2nnnn21 4368751 FQLRNXINYGXQQX-CQSZACIVSA-N 329.360 1.924 0 40 EDAB C[C@@H]1CN(c2ccc(CNc3ncnc4c3cnn4C)cn2)CCO1 52245728 YPRHNWIAAMHDBA-GFCCVEGCSA-N 339.403 1.596 0 40 EDAB O=C1CC[C@H](C(=O)OCC(=O)c2ccc(Br)cc2)N1 6221269 IBCHUVQKVYMUBF-SNVBAGLBSA-N 326.146 1.454 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)NCc1ccc(C)o1 6846646 GMNQDDKJGQWYFD-CQSZACIVSA-N 338.404 1.688 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 7960785 YUQILEPEEVKFQA-CQSZACIVSA-N 339.461 1.151 0 40 EDAB COCCNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100117665 MQUCFZAFICAVKE-QUHUKJRKSA-N 343.427 1.737 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@@H]1Cn1cccn1 69740162 HDXFNCMJTVTOOA-LLVKDONJSA-N 327.310 1.790 0 40 EDAB O=C(NCC(=O)N1CCCC1)c1cc(F)cc(Br)c1 32930970 GWMKMFFSAWBAIE-UHFFFAOYSA-N 329.169 1.940 0 40 EDAB CC(C)NC(=O)[C@H](C)OC(=O)CCn1ncc(=O)c2ccccc21 53033097 PEHSJYXXAMFNIP-LBPRGKRZSA-N 331.372 1.243 0 40 EDAB C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)n1ccnc1 46762337 RSAGQXGFWOXLHG-OAHLLOKOSA-N 340.427 1.723 0 40 EDAB CCn1cnnc1CNC(=O)N(C)C[C@@H]1COc2ccccc2O1 46964895 XZRJYYFUYVRPOX-GFCCVEGCSA-N 331.376 1.279 0 40 EDAB CSCC[C@@H](NC(=O)CCS(=O)(=O)c1ccccc1)C(=O)O 12390262 WBBHYHQHNHNAKS-GFCCVEGCSA-N 345.442 1.173 0 40 EDAB O=C1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)c2ccccc2N1 23009998 BFYYXBMPENFOFL-CYBMUJFWSA-N 342.424 1.918 0 40 EDAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)C1CC1 23042225 IRTZYHGYPHHXAS-QMMMGPOBSA-N 336.866 1.937 0 40 EDAB Cc1cc(C)n(CCCNC(=O)c2c(C)oc3ncn(C)c(=O)c23)n1 23246649 GWICQZHFSANRKA-UHFFFAOYSA-N 343.387 1.468 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3F)c2)CC1 70039980 WZEMPDZXTXVHDO-CYBMUJFWSA-N 332.379 1.150 0 40 EDAB CCN1CCN(CCNC(=O)c2cc(-c3ccccc3)[nH]n2)CC1 42591065 KNACCWWPKPKKIH-UHFFFAOYSA-N 327.432 1.444 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16CC=CC[C@@]56[C@H]2[C@@H]43 104287457 JAANWYAEPWLEGD-ZOHDJHSCSA-N 331.375 1.739 0 40 EDAB CN1CCN(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)[C@H](c2ccccc2)C1 54519369 QVQGGBFDKOOJPX-KSZLIROESA-N 339.439 1.884 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCc2ccc(Br)s2)C1 24621221 DGJOABJHVOMWMH-QMMMGPOBSA-N 346.250 1.918 0 40 EDAB CNC(=O)Cn1cc(NC(=O)c2cccc(Br)c2)cn1 37791123 MZMHPOLWOZNUGV-UHFFFAOYSA-N 337.177 1.644 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)NC[C@H]2CCCN(C(C)C)C2)C1 106772738 IJVSXVDNYQXMOE-CABCVRRESA-N 340.468 1.637 0 40 EDAB COc1cccc(NC(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N(C)C)C2)c1 107263202 BDVMZXAOGALTMO-QLFBSQMISA-N 333.388 1.405 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 48020718 DAWNWRBBUSGJHT-UONOGXRCSA-N 349.431 1.539 0 40 EDAB COc1cccc(NC(=O)[C@H](C)N2CCN(c3ncccn3)CC2)c1 57396059 WDERSRZDMGUHPV-AWEZNQCLSA-N 341.415 1.634 0 40 EDAB COC(=O)[C@@](C)(c1ccccn1)N(C)CC(=O)N1CCC[C@H](C)C1 108161473 DSQVOXSZQYIECU-KBXCAEBGSA-N 333.432 1.660 0 40 EDAB CCCN1C(=O)C(=O)N(CN(C)Cc2cc(C)ccc2OC)C1=O 26612524 STMUYBYMVPKSDH-UHFFFAOYSA-N 333.388 1.594 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 44571572 FHBQHEVDZVEIAU-MRXNPFEDSA-N 340.427 1.506 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CN1C(=O)[C@@H]2CCCCN2C1=O 58082877 NCWBQNMKWNHLQD-CABCVRRESA-N 332.400 1.860 0 40 EDAB COCCn1nc(C(=O)N(C)Cc2ccc(Cl)s2)ccc1=O 44873512 CYFBEWQZRJBWCC-UHFFFAOYSA-N 341.820 1.877 0 40 EDAB O=C(O)[C@H]1CCN(C(=O)COc2cccc(Br)c2)C1 62118437 IKWZQPPSAOVNJQ-VIFPVBQESA-N 328.162 1.761 0 40 EDAB COC(=O)c1ccc2nc(NC(=S)NCCCO)sc2c1 409188239 BYNVTSRQVYJIRN-UHFFFAOYSA-N 325.415 1.752 0 40 EDAB COC(=O)c1ncn(CN2CCC[C@@H]2c2ccc(OC)cc2OC)n1 58356583 IDHWRVIAAJOMJG-CQSZACIVSA-N 346.387 1.877 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(=O)N1CCCCC1 58378041 CEBQKQSWLJOABW-UKRRQHHQSA-N 335.448 1.152 0 40 EDAB CC(C)(CNC(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCO2 58342294 GDRKSDXCPXUBNZ-UHFFFAOYSA-N 344.367 1.832 0 40 EDAB Cc1ccc(OCC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1C 58367444 YSZJORDYEARDTO-AWEZNQCLSA-N 340.445 1.222 0 40 EDAB Cc1cccc(OCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 58407060 XJRPQFVFQCAJSC-KRWDZBQOSA-N 345.443 1.315 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 12735061 SXMGDPGHIGVNBP-INIZCTEOSA-N 326.462 1.630 0 40 EDAB CN(C)C(=O)CCNC(=O)CCOc1ccccc1Br 58904328 PBUNMHAXVICHFD-UHFFFAOYSA-N 343.221 1.813 0 40 EDAB Cc1ccc(CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cn1 48310013 CJMBEXHDMLMJMT-INIZCTEOSA-N 330.432 1.934 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 48324833 RIUUPOAKKPROEW-MRXNPFEDSA-N 341.411 1.790 0 40 EDAB CCOC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1F 48334018 CSEQLPNTTMXFKY-MRVPVSSYSA-N 335.353 1.073 0 40 EDAB Cc1cc(C)n2nc(SCC(=O)NC(=O)NCC(C)C)nc2n1 3467111 FIGBJDVDCYELSS-UHFFFAOYSA-N 336.421 1.315 0 40 EDAB O=C(/C=C/c1ccccc1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 69421360 WQWJRJMWNLYMPQ-RJCHQFKYSA-N 348.468 1.468 0 40 EDAB CCN1CCN(C2CCN(CC(=O)Nc3nccs3)CC2)C1=O 69491947 FVZIBLROXZBOPM-UHFFFAOYSA-N 337.449 1.304 0 40 EDAB CCC(=O)N1CCc2cc(C(=O)Nc3nc(C(=O)OC)n[nH]3)ccc21 69455642 GPTYWBZJEGLJMX-UHFFFAOYSA-N 343.343 1.143 0 40 EDAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC)C2)cc1 48914037 WFYHARIZOGRQOA-BBRMVZONSA-N 345.443 1.700 0 40 EDAB COc1ccc(NC(=O)NCCCn2ncccc2=O)cc1OC 23241683 JZLDTNFZNJYOCT-UHFFFAOYSA-N 332.360 1.472 0 40 EDAB CNC(=O)c1ccc(CNC(=O)Cc2cn3cccc(C)c3n2)cc1 69585021 VELULVQNALMINU-UHFFFAOYSA-N 336.395 1.861 0 40 EDAB CC(=O)NCCc1c[nH]c2ccc(OC[C@H](O)CNC(C)C)cc12 4073693 ZJSLRTYOOQXDRI-OAHLLOKOSA-N 333.432 1.584 0 40 EDAB biogenic CCC(=O)NCC(=O)Nc1ccc([C@]2(CC)CCC(=O)NC2=O)cc1 63803892 VFSIOOPRWKKONG-SFHVURJKSA-N 345.399 1.236 0 40 EDAB Cn1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1=O 91766091 UFMLUQLMUNUVLU-SWLSCSKDSA-N 334.322 1.612 0 40 EDAB CCN(CC)C(=O)CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1 64529277 KPOJDASXEOQVNK-UHFFFAOYSA-N 346.431 1.913 0 40 EDAB CN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccc(F)cc2)c2ccccc21 13625133 BWZSJCJVTBPCOW-HNNXBMFYSA-N 341.342 1.276 0 40 EDAB CCOc1c(OC)cc(CNC(=O)CCCn2cncn2)cc1OC 49992169 JBWUTICIGPAGSO-UHFFFAOYSA-N 348.403 1.791 0 40 EDAB C[C@@H](NC(=O)CNC[C@H]1CN(C)CCO1)c1ccc2c(c1)CCCC2 69869746 ZPCCMUBIAYJCCY-BEFAXECRSA-N 345.487 1.663 0 40 EDAB CNC(=O)CN1CCC(NC(=O)N(C)[C@@H](C)c2cccs2)CC1 65424009 SWWKJJUXNXKROI-LBPRGKRZSA-N 338.477 1.661 0 40 EDAB CS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1ccc(F)cc1 14000159 LKTNKGMKSPPOEB-UHFFFAOYSA-N 344.408 1.231 0 40 EDAB Cn1cc(CNCCN2CCCCCC2=O)c(-c2cccnc2)n1 65521069 KAFALLLDXNQFKL-UHFFFAOYSA-N 327.432 1.974 0 40 EDAB CCCCN1C(=O)c2ccc(C(=O)N[C@H]3CCCOC3)cc2C1=O 65547687 RTAJIZMZIBVUSA-ZDUSSCGKSA-N 330.384 1.992 0 40 EDAB CN(C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1)C1CC1 65553668 PLPISYGTEHJQLK-CYBMUJFWSA-N 326.443 1.371 0 40 EDAB CC(C)[C@H]1NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O 14119965 SLJNUWUKUSYRDP-GFCCVEGCSA-N 327.743 1.994 0 40 EDAB C[C@@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)c1ccncc1 65623399 ZXUCIRZJZDQFQG-LLVKDONJSA-N 344.396 1.624 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)/N=c2/[nH]nc(-c3ccco3)[nH]2)cc1 65607819 HVTZZLDHSNFGEZ-RMKNXTFCSA-N 337.339 1.498 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(F)cc1 6787873 DHXGGQTYMHEYRR-UHFFFAOYSA-N 338.360 1.412 0 40 EDAB COCCNC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1 22344656 GTXQXLNXCHKQDV-UXBLZVDNSA-N 325.162 1.824 0 40 EDAB Cc1cc(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)no1 15351119 DZSCTUFFBNXEIX-UHFFFAOYSA-N 327.344 1.290 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)NC[C@@H]1Cc2ccccc2O1 80095174 UELHQYBMIRLGEJ-HNNXBMFYSA-N 339.395 1.242 0 40 EDAB CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCc3[nH]ncc3C2)cc1 90454836 OGYJJPGUUPUAOG-FZMZJTMJSA-N 334.445 1.526 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(S(C)(=O)=O)c1 68529254 CXJNXIKLHHAUSP-QWRGUYRKSA-N 341.433 1.515 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)CN2CCc3ccccc32)C1 16336620 VGFZKNNVTAATHO-KRWDZBQOSA-N 331.460 1.522 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1O)C2=O 9479049 NEJTVANTNZVCFO-GTNSWQLSSA-N 331.372 1.831 0 40 EDAB CC(C)n1ncc2cc(C(=O)O[C@H](C)C(=O)N3CCNC3=O)cnc21 9454113 PMDYSFRWOXRHLW-SNVBAGLBSA-N 345.359 1.109 0 40 EDAB Cn1cc(S(=O)(=O)N(CCN2CCCC2)c2ccccc2)cn1 96417535 MRMVBTBOXREXOI-UHFFFAOYSA-N 334.445 1.711 0 40 EDAB CCc1cccc2c(CCNC(=O)[C@@H](C)NS(C)(=O)=O)c[nH]c12 71898175 DPJOCWICHYOPBK-LLVKDONJSA-N 337.445 1.327 0 40 EDAB O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1cnn[nH]1 71896825 VCXDWMRTDAYHML-VIFPVBQESA-N 336.193 1.576 0 40 EDAB COc1ccc(-c2nnc(CN3CCN(C[C@@H](C)O)[C@H](C)C3)o2)cc1 71864393 KIGZPMQBDFUUQH-ZIAGYGMSSA-N 346.431 1.632 0 40 EDAB O=C(c1cnc2nc(O)[nH]c(=O)c2c1)N1CCC[C@@H]1C1CCCC1 71820110 GHWQJBNAMLJPIG-CYBMUJFWSA-N 328.372 1.819 0 40 EDAB CN1CC(=O)N(CC(=O)NCC2(c3ccc(Cl)cc3)CCC2)C1=O 71867362 HBZVUGSONWCOPW-UHFFFAOYSA-N 349.818 1.772 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCC(=O)N(C)C1 71915352 OFOOPYZDPZSHJK-GOEBONIOSA-N 349.406 1.317 0 40 EDAB COCCNC(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 72270478 BNGBLYFRCCUYNR-LBPRGKRZSA-N 339.411 1.793 0 40 EDAB CC(C)c1nc([C@@H]2CCCN(C(=O)CCCn3cncn3)C2)no1 72232631 ITVSXRRFYACVBT-CYBMUJFWSA-N 332.408 1.971 0 40 EDAB COCCNC(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 72270479 BNGBLYFRCCUYNR-GFCCVEGCSA-N 339.411 1.793 0 40 EDAB COc1c([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)c(C)nn1C 72234334 OZVCHUOSORAJRQ-CQSZACIVSA-N 340.387 1.986 0 40 EDAB C[C@H](c1nc(C(C)(C)C)no1)N1CCCN(CC(=O)N(C)C)CC1 89913609 QOAOTOWWWQNADE-CYBMUJFWSA-N 337.468 1.524 0 40 EDAB CCN(CC)C[C@H]1CCCC[C@@H]1NCCn1nc2ccccn2c1=O 97164312 LZRDGHDOXRVXKN-SJORKVTESA-N 345.491 1.986 0 40 EDAB CN(CCN1CCOCC1)C(=O)[C@H]1CCCN1Cc1ccc(F)cc1 72310117 TWTUGPGQWAVNSF-GOSISDBHSA-N 349.450 1.581 0 40 EDAB Cc1nccc(N2CCN(C(=O)NCc3nc(C)c(C)s3)CC2)n1 97376455 HEDXBJFFJGGAGL-UHFFFAOYSA-N 346.460 1.890 0 40 EDAB CCn1cnnc1CNC(=O)c1c(C)nn(-c2ccccc2)c1N 95455141 JPPIERKRJNMKJH-UHFFFAOYSA-N 325.376 1.304 0 40 EDAB Cc1c(Cl)cc(S(=O)(=O)NCc2ncnn2C)cc1Cl 95441192 WGDQKYNAVVYOSM-UHFFFAOYSA-N 335.216 1.909 0 40 EDAB CN(CC(C)(C)O)S(=O)(=O)c1cc(F)ccc1Br 95448560 QTAUKKBGOJFPHJ-UHFFFAOYSA-N 340.214 1.980 0 40 EDAB CC(C)C[C@@H](NC(=O)[C@@H]1CCN(CC(C)C)C1)C(=O)Nc1cc[nH]n1 95415215 CMAWHQZUHIELNO-HUUCEWRRSA-N 349.479 1.857 0 40 EDAB Cc1cc(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)n[nH]1 95446797 BZWZVEIFIHYTJA-INIZCTEOSA-N 326.400 1.568 0 40 EDAB CC[C@H](C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1 98010428 XRYWLRPLQHGCNF-JKSUJKDBSA-N 326.400 1.835 0 40 EDAB CCc1nc(CCNC(=O)c2ccc3c(c2)C(=O)NC3=O)cs1 78521482 JUFIBRPOEOBZMC-UHFFFAOYSA-N 329.381 1.562 0 40 EDAB C[C@@](CO)(NC(=O)NC[C@@H]1CCS(=O)(=O)C1)C1CCCCC1 88482405 CRBANEHYTVIGCF-WFASDCNBSA-N 332.466 1.052 0 40 EDAB O=C(c1cnc2c(cnn2C2CCCC2)c1)N1CCN(CCO)CC1 78783437 YUNUIMHYXOONIE-UHFFFAOYSA-N 343.431 1.297 0 40 EDAB C[C@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F 78875412 JYQOTZIEIDPLRZ-CMPLNLGQSA-N 342.392 1.441 0 40 EDAB CN1CCOC[C@@H]1C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 95983147 ZHPYGNSGTISKNE-IAGOWNOFSA-N 336.407 1.428 0 40 EDAB COc1ccc2nc(C)cc(C(=O)N3CCN(C)C[C@H]3CN)c2c1 95971632 DPYCYRXSGMCUFW-CYBMUJFWSA-N 328.416 1.267 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)OCc2cncs2)[C@@H]1c1cnn(C)c1 95997323 GREDJIMAQMQURM-OCCSQVGLSA-N 334.401 1.530 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)Nc1cccc(C(N)=O)n1)CO2 78869228 WVQJSFOLKGLFOK-UHFFFAOYSA-N 339.351 1.994 0 40 EDAB CCSc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cn1 78914853 OLJQASITCKPAEP-UHFFFAOYSA-N 336.505 1.903 0 40 EDAB CNC(=O)Cc1nc(Cn2c(-c3cccs3)noc2=O)cs1 78965678 YHRCZQQZXVTJGO-UHFFFAOYSA-N 336.398 1.358 0 40 EDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(N(C)C)cc1 9948437 HGTRFCFXRIRSIV-MRVPVSSYSA-N 333.421 1.221 0 40 EDAB CN(Cc1nccn1C(F)F)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 79076834 DVQZOJAZUFBBLM-JTQLQIEISA-N 343.378 1.819 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)[C@@H]1COc3ccccc3C1)C2 75129099 PEJWSEUWZJLMIB-HNNXBMFYSA-N 338.411 1.679 0 40 EDAB CCN1CCN(C(=O)Cc2ccc(NC(=O)c3ccc[nH]3)cc2)CC1 79991163 HVKPJZNCCMZBQT-UHFFFAOYSA-N 340.427 1.974 0 40 EDAB CN1C[C@@H](NC(=O)Nc2ccc(Oc3cccnc3)nc2)CC1=O 551027525 YKNVDILUMJDAAD-LBPRGKRZSA-N 327.344 1.621 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@@H]1C2 306127549 GBNHLNNBTXDALT-UONOGXRCSA-N 329.404 1.314 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H]1CCOC1 41371798 ZDNLEFXJUXJCBJ-CQSZACIVSA-N 327.384 1.825 0 40 EDAB COc1ccccc1[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C 547981373 NOSQTOGUMLVCEX-TZMCWYRMSA-N 336.432 1.786 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCN2CCCC[C@H]12 69376771 TYQNGEAACDCLNR-IAGOWNOFSA-N 333.480 1.282 0 40 EDAB CC(=O)N1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1csc(C)n1 306138492 RYVJMRNSMIFTTO-GJZGRUSLSA-N 330.413 1.681 0 40 EDAB Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)n1C 31149667 JNOHGPQWVFIJCZ-UHFFFAOYSA-N 337.401 1.542 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCc2cccc(C)c2)ccc1OC 31109041 QBQOJHSKRVLZSO-UHFFFAOYSA-N 348.424 1.842 0 40 EDAB C[C@H]1CO[C@@H](C(=O)N2CCN(c3cnc4ccccc4n3)CC2)C1 1056086131 DJNXYDMZCSNJRT-CZUORRHYSA-N 326.400 1.703 0 40 EDAB CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)CN1CCN(CCO)CC1 33546605 SPYRNWLNZNVRQZ-IMBTUZDBSA-N 340.508 1.189 0 40 EDAB CC(C)(C)c1cc(CS(=O)(=O)N2CC[C@@H]3OCC[C@@H]3C2)no1 566971127 GQCGNNLFIWNFBR-YPMHNXCESA-N 328.434 1.913 0 40 EDAB Cc1nc([C@H]2CCN(CC(=O)NCc3ccc(C)c(F)c3)C2)n[nH]1 563233213 SLINQKLXHLBPKP-AWEZNQCLSA-N 331.395 1.666 0 40 EDAB O=C(NCCCc1cnc2ncnn2c1)c1ccc2nccnc2c1 225645253 BEDFZHQYSPICJZ-UHFFFAOYSA-N 333.355 1.430 0 40 EDAB CNCCc1ccccc1C(=O)N1CCC[C@H](Cn2cncn2)C1 567739641 ZHIIGPCZCBUQRV-HNNXBMFYSA-N 327.432 1.592 0 40 EDAB C[C@@H](C(=O)O)n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O 40388220 JYDRCWZMTVGERB-JTQLQIEISA-N 335.323 1.752 0 40 EDAB Cn1nc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)c2c1CCCC2 571154338 XWFQEYHIWLWOCC-OAHLLOKOSA-N 344.440 1.674 0 40 EDAB CO[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc(=N)n(C)[nH]1 574921563 FIFPALDCQYPVKN-KBPBESRZSA-N 329.404 1.149 0 40 EDAB CN(C)CCn1ccc(C(=O)Nc2c[nH]nc2-c2ccccn2)n1 572058117 RBEIBCOGKDKECF-UHFFFAOYSA-N 325.376 1.482 0 40 EDAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)ccc1C 223824369 NBBBMVBJTLDAHI-UHFFFAOYSA-N 348.380 1.681 0 40 EDAB Cc1nccn1CCNC(=O)c1cccnc1O[C@@H]1CCSC1 225724856 AXISWUPGBYDGGD-CYBMUJFWSA-N 332.429 1.901 0 40 EDAB COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)nc2ccccn2c1=O 96115666 GBGIZMQDDGCQMN-CYBMUJFWSA-N 340.335 1.801 0 40 EDAB biogenic CC(C)Nc1nc2c(c(N(C)C)n1)CN(C(=O)c1cnccn1)CC2 96254044 VBOKHMUGCWHPTQ-UHFFFAOYSA-N 341.419 1.351 0 40 EDAB CS(=O)(=O)NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 96112909 ZZNZZABMGLJVPI-LBPRGKRZSA-N 341.820 1.652 0 40 EDAB biogenic,in-vitro Cn1cc(CN2CC[C@@H]3OC[C@H](C(=O)N4CCCCO4)C[C@@H]3C2)cn1 96042677 PBLLQFPXPHYESJ-ZACQAIPSSA-N 348.447 1.201 0 40 EDAB CN(C)[C@H]1CCC[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 97096631 BGEIZCRAYBUZFH-WMZOPIPTSA-N 345.491 1.782 0 40 EDAB c1cn2cnnc2c(NCC2(CN3CCOCC3)CCCCC2)n1 96459015 OJXZHRVRUPIQCR-UHFFFAOYSA-N 330.436 1.819 0 40 EDAB Cn1ccnc1CN1CCOC[C@]2(CCN(Cc3ccco3)C2)C1 96070375 KWVXFENOEBMHNJ-SFHVURJKSA-N 330.432 1.738 0 40 EDAB O=C(c1ccsc1)N1CCc2onc(CN3CCOCC3)c2C1 96259793 YQBAGYGQXXZRHH-UHFFFAOYSA-N 333.413 1.767 0 40 EDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)c4cnn(C)c4)CC3)O2)n1 96109988 JDJOYNIJINAKJZ-ZDUSSCGKSA-N 331.376 1.638 0 40 EDAB CCC[C@H](C)NC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96266087 DJYBUZGKYIRKKM-NSHDSACASA-N 348.428 1.583 0 40 EDAB O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccco2)C1 97953670 SAZBMCFLGXLTFA-NWANDNLSSA-N 328.372 1.688 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(C(=O)O)sc2C)C1 579484623 SJLBPFACSZQISV-LLVKDONJSA-N 332.447 1.268 0 40 EDAB Cc1ncsc1CN1CC[C@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 96107704 PDFHZYLWCXUQSG-CJNGLKHVSA-N 339.461 1.290 0 40 EDAB CN(C)C(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(CC1CC1)C2 96251169 LQGVBNCQQFGGJT-CRAIPNDOSA-N 329.448 1.246 0 40 EDAB Cc1occc1C(=O)N1C[C@H]2CN(Cc3cccnc3)C(=O)[C@H]2C1 96245070 UJFUJAUIZKEACC-ZBFHGGJFSA-N 325.368 1.714 0 40 EDAB CN(C)CC(=O)NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 97104332 BHOREAOHBUIACH-CYBMUJFWSA-N 336.436 1.801 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)C1CCC1)C2 96238205 IQAQSPWFZIHBCY-QGZVFWFLSA-N 333.457 1.798 0 40 EDAB Cn1cc(CN2CCO[C@@H]3CN(C(=O)C4=CCCCC4)C[C@@H]3C2)cn1 96108122 RZTCRRLGMXKXDW-ZWKOTPCHSA-N 344.459 1.580 0 40 EDAB O=C(c1cnccn1)N1C[C@@H]2OC[C@H](CCOc3cccnc3)[C@@H]2C1 247839146 DWTPAGFDSMERTJ-QRTARXTBSA-N 340.383 1.428 0 40 EDAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@@H](Cc1cnccn1)CO2 257249267 JHNJNVNQUHZLBA-CQSZACIVSA-N 341.415 1.464 0 40 EDAB O=C(COc1ccccc1F)N1CCOC[C@@H]1CCc1cnccn1 257308627 TXLFIDNFOHHDMP-HNNXBMFYSA-N 345.374 1.855 0 40 EDAB Cc1ocnc1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257287552 PQKXKLXCDJIRPZ-IIAWOOMASA-N 331.372 1.811 0 40 EDAB CCc1noc(C)c1C(=O)N1CCOC[C@H]1CCc1cnccn1 257304322 SLBFKEWDQONBEF-CQSZACIVSA-N 330.388 1.809 0 40 EDAB C[C@@]1(c2ccccc2)CN(C(=O)C[C@H]2CCCS2(=O)=O)CCO1 585132105 OIUVFBOIKGMWOF-WBVHZDCISA-N 337.441 1.728 0 40 EDAB O=C(N1CCCC1)[C@@]1(c2cnccn2)CCCN1Cc1c[nH]cn1 257277874 NZWDIGMBNKQEPJ-KRWDZBQOSA-N 326.404 1.313 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1c1cccc(-c2cnc3ncccn23)n1 257249822 JJXGCVLRFYRHOI-CQSZACIVSA-N 343.412 1.888 0 40 EDAB Cn1ccnc1CN1CCOC[C@@H](Cc2nccn3cccc23)C1 257285115 PFSQYLWPQLFELH-HNNXBMFYSA-N 325.416 1.759 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257281953 ORRCMBKOEQZDNS-HZPDHXFCSA-N 341.342 1.966 0 40 EDAB CNCC(=O)N1CCC2(CC1)C[C@H](Cc1ccccc1)N(C)C2=O 257224338 FBKAWUFCGUNFDP-INIZCTEOSA-N 329.444 1.288 0 40 EDAB Cc1n[nH]c(C)c1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1 257303136 SFYCJIBDNIODHY-LBPRGKRZSA-N 335.433 1.623 0 40 EDAB CN(C(=O)c1ccc(-c2cc[nH]n2)s1)[C@H]1CCS(=O)(=O)C1 277233993 GVWKGXVJMJDKQA-VIFPVBQESA-N 325.415 1.397 0 40 EDAB CN1CCc2c(CNC(=O)c3ccco3)c3c(c(O)c2C1=O)OCO3 604404482 OLGXIHMDNRLIMD-UHFFFAOYSA-N 344.323 1.272 0 40 EDAB biogenic O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1c[nH]c2ccccc12 390830595 MCKVCHVOJBZFCL-LBPRGKRZSA-N 347.382 1.614 0 40 EDAB CN(C)C(=O)C[C@]1(O)COCCN(Cc2ccc(F)cc2Cl)C1 585280608 LNARZHKWQHVAFX-MRXNPFEDSA-N 344.814 1.521 0 40 EDAB CCO[C@@H]1CCCN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)C1 57836758 KAZFOWKBXQSADQ-CYBMUJFWSA-N 344.415 1.710 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(C(=O)NC)c1C 68543829 XXUZFJPAIWWFJN-ZYHUDNBSSA-N 334.420 1.779 0 40 EDAB O=C(c1cnn(C2CCCCC2)c1)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1549224494 SFDKROPBTQGZDT-CXAGYDPISA-N 333.388 1.562 0 40 EDAB CC(C)(C)OCCSCC(=O)N1CCN(C(=O)C2CC2)CC1 69878511 JMEMKXPSWWLFJE-UHFFFAOYSA-N 328.478 1.616 0 40 EDAB Cc1cccc(N2CCN(C(=O)[C@@H]3CSCCC(=O)N3)CC2)c1 75171369 BQHDMEHAHBAIIH-HNNXBMFYSA-N 333.457 1.265 0 40 EDAB Cc1ccc2ncn(CC(=O)N3CC[C@@H](OC(=O)N(C)C)C3)c2c1 1615627199 DBRGYXAMQQQJTB-CYBMUJFWSA-N 330.388 1.644 0 40 EDAB Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 11804956 BZISLBGNSPAWFH-UHFFFAOYSA-N 335.404 1.919 0 40 EDAB CCc1cc(C(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)no1 12406483 DSYBBMBXTVRQBY-SNVBAGLBSA-N 331.376 1.428 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)Cn2c(=O)n(C)c3ccccc32)c1C 14379457 RLPRHNHWAUMSKH-UHFFFAOYSA-N 341.367 1.954 0 40 EDAB COc1ccc(C(=O)Nc2ccccc2C(=O)Nn2cnnc2)cc1 14405967 GEQJFQUOACVTCE-UHFFFAOYSA-N 337.339 1.923 0 40 EDAB CCC[C@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1 19501900 VPWSQSDNZNKJKK-MRXNPFEDSA-N 336.484 1.721 0 40 EDAB Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)c1cncc(C(=O)O)c1 583201182 CEFTYNIGLUMZAQ-QMMMGPOBSA-N 339.373 1.467 0 40 EDAB O=C(NCCCCO)[C@H]1CN(Cc2ccccc2)C[C@@]12CCOC2 585122126 OFDDMGLPHBFXBY-IEBWSBKVSA-N 332.444 1.414 0 40 EDAB COc1cc(CNC(=O)c2ccn(C)c(=O)c2)ccc1OC(F)F 28441827 NJXIZYSNISBAIG-UHFFFAOYSA-N 338.310 1.925 0 40 EDAB CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cc2c(Cl)cccc2[nH]1 2037961718 JYVFGVPXUABRLO-ZWZTZDBGSA-N 338.791 1.262 0 40 EDAB CCCCCCn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 4250870 BXHISDGMZZVFMJ-UHFFFAOYSA-N 331.420 1.884 0 40 EDAB COc1ccc(NC(=O)CSc2nnc3nc(O)ccn23)cc1 4249791 RZCNPJGCRBWMAY-UHFFFAOYSA-N 331.357 1.569 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1 10250725 UEDMWBUSUMVHTA-UHFFFAOYSA-N 344.352 1.787 0 40 EDAB CCn1cc(CN2CC[C@@](Nc3cccc(F)c3)(C(=O)NC)C2)cn1 2055747786 VWRHKTIOTVJDDH-SFHVURJKSA-N 345.422 1.845 0 40 EDAB COCc1cn([C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2)nn1 585149800 WBYFOVRJDQWPMG-CQSZACIVSA-N 334.351 1.416 0 40 EDAB COc1cc(OC)nc(N2CCC[C@@H](COc3cnccn3)C2)n1 2298199218 GRKUPFJZZHLPNH-GFCCVEGCSA-N 331.376 1.579 0 40 EDAB COC(=O)N1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 5255276 SYJQDVLKGHNHHR-UHFFFAOYSA-N 349.368 1.817 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1cccn1C 75155113 JFIVBDZCLQKPBH-CYBMUJFWSA-N 328.821 1.999 0 40 EDAB Cc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)o1 40087802 UQJGHTIXXAMSNP-AWEZNQCLSA-N 327.384 1.990 0 40 EDAB Cn1cnnc1SCC(=O)Nc1ccc(Br)cn1 98008 VCXQCUXGWYRGTA-UHFFFAOYSA-N 328.195 1.703 0 40 EDAB CN(C(=O)Cc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 40529977 RIQLYEAZJWPVNQ-OAHLLOKOSA-N 333.413 1.060 0 40 EDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)c(C)c1C 51164277 XHUTWYWJUYXMNK-CQSZACIVSA-N 340.445 1.104 0 40 EDAB N=c1c2nc(-c3ccc(F)cc3)[nH]c(=O)c2[nH]c(=O)n1-c1ccccc1 100945620 COSKQOVIWWUVQK-UHFFFAOYSA-N 349.325 1.688 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)/C=C/c2nc3ccccc3o2)C1 29191730 YYGFMOINSZQQLB-BCPZQOPPSA-N 349.412 1.381 0 40 EDAB O=S1(=O)CCN2C=C(Br)C=C(Br)C2=N1 125649 JOCGPVJJXSYEAL-UHFFFAOYSA-N 342.012 1.559 0 40 EDAB N=C(O)OC[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1 1857794310 BMIIGOOPWZOMPN-IRXDYDNUSA-N 341.411 1.793 0 40 EDAB O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)NC1CCCC1 300164 VHPQSCPSZNBDFZ-UHFFFAOYSA-N 347.400 1.542 0 40 EDAB COc1cc(C(=O)Nc2nc(C(C)C)n[nH]2)ccc1OCC(N)=O 69379453 GHOLDFQLLFAAIJ-UHFFFAOYSA-N 333.348 1.053 0 40 EDAB Cc1noc([C@H](NS(=O)(=O)c2c(C)nn(C)c2C)C(C)C)n1 69705733 SXSMWBPXVAUEIX-LLVKDONJSA-N 327.410 1.404 0 40 EDAB COc1ccc(C(=O)COC(=O)c2nc3nccc(C)n3n2)cc1F 8391078 RJLHZCQAEPOUQI-UHFFFAOYSA-N 344.302 1.620 0 40 EDAB CCOCCOc1ccc(S(=O)(=O)N2CCSCC2)cc1 60085107 CBJOWAMCINZHLX-UHFFFAOYSA-N 331.459 1.839 0 40 EDAB CC(C)Oc1ccc([C@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1 46211702 YQJVKNVEQAZVFF-LBPRGKRZSA-N 328.434 1.542 0 40 EDAB CC(C)(CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1 32473550 BEEDAVHCGUHMKJ-HNNXBMFYSA-N 338.473 1.895 0 40 EDAB CC[C@H]1CN(CC(=O)Nc2c(C)nn(C)c2C)CCN1CCOC 69738090 ILSNTSGZBHUNIR-HNNXBMFYSA-N 337.468 1.018 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc2ccccc2[nH]1 101926944 RJTTUJDDUGOVSG-FCIDVOKBSA-N 336.351 1.309 0 40 EDAB CS[C@@H](C)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 32635654 SRMNSNKUOUFVMG-LBPRGKRZSA-N 345.472 1.608 0 40 EDAB OCCN1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 69772022 AEUWPYZCYAXLIF-UHFFFAOYSA-N 342.378 1.045 0 40 EDAB O=C(NN1CCCCC1=O)[C@H]1CCCN1C(=O)Cc1ccccc1 102641117 FXBBMCOTWZZPAR-OAHLLOKOSA-N 329.400 1.264 0 40 EDAB CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 52921114 HHSVSEVNSXWKLI-UHFFFAOYSA-N 347.396 1.336 0 40 EDAB COc1ccccc1N1CCN(C(=S)NC[C@H]2CCCO2)CC1 9877239 ZPRXXZZWPAPDQB-CQSZACIVSA-N 335.473 1.871 0 40 EDAB O=C1CCCN1c1cccc(OCC(=O)N2CCO[C@H]3CCC[C@H]32)c1 53379960 ZRSFWKQBWHYSSJ-SJORKVTESA-N 344.411 1.972 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)N1CCO[C@H]2CCC[C@@H]21 53373935 PQCCUVNMTHHVOO-STQMWFEESA-N 333.413 1.628 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCCN1CCCCC1)C(=O)C2 103563984 UOWZPIGGSZLHEB-WMLDXEAASA-N 342.505 1.787 0 40 EDAB CCc1ccc(N2C[C@@H](C(=O)NCCNC(=O)C(C)C)CC2=O)cc1 22988373 OJPSFUWAICAOSG-HNNXBMFYSA-N 345.443 1.490 0 40 EDAB CC1CCC(NC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 69414880 BGRDNAXNFYFOKX-UHFFFAOYSA-N 346.431 1.992 0 40 EDAB CCn1nc(C)c2c1cnn2CCNS(=O)(=O)Cc1ccccc1 57279740 PYIQWTCPNPPDJT-UHFFFAOYSA-N 347.444 1.681 0 40 EDAB CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2F)C1=O 47359097 KIOJNZOHDJMWNX-OAHLLOKOSA-N 325.315 1.258 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@@H]1Cc2ccccc21 104855021 NOONJBNAVIAUJL-AWEZNQCLSA-N 336.395 1.638 0 40 EDAB C[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)C[C@@H](C)O1 42655820 VMEYFKUBROXYSC-VNHYZAJKSA-N 325.434 1.573 0 40 EDAB O=C(NCc1cc(-c2ccccc2)no1)N[C@H]1CCS(=O)(=O)C1 42871147 FHUAPHSCXVVOMX-LBPRGKRZSA-N 335.385 1.328 0 40 EDAB CCOC(=O)[C@@H]1CCCN(CCC(=O)NC(=O)NC2CCCC2)C1 24252614 VRHNOCHCSRHWDC-CYBMUJFWSA-N 339.436 1.420 0 40 EDAB CCCc1n[nH]c([C@H]2CN(Cc3nnc(OCC)s3)CCO2)n1 76049273 SCJVTLDUPJMGQK-SNVBAGLBSA-N 338.437 1.581 0 40 EDAB Cn1c(=O)n(C)c2cc([C@@H]3NCC[C@]34C(=O)Nc3ccccc34)ccc21 61719505 DGPMUVKHRQGELD-FXAWDEMLSA-N 348.406 1.802 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106580764 XWSVJRXMIKXYCU-QEJZJMRPSA-N 328.478 1.601 0 40 EDAB CCOC(=O)[C@@]1(CCC(N)=O)CN(Cc2ccccc2)CCC1=O 12506000 TXVVVNJGOYSHDW-SFHVURJKSA-N 332.400 1.276 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 58759404 IFLRXZFWHJBRAY-HNNXBMFYSA-N 346.427 1.863 0 40 EDAB CCN1CCc2nc(NC(=O)Cn3nnc4ccccc43)sc2C1 25607017 YGFZHTSTDJAYFW-UHFFFAOYSA-N 342.428 1.905 0 40 EDAB CC(=O)N[C@H](C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1)C(C)C 25918840 OOOVFSBZVLLUOU-GUYCJALGSA-N 343.431 1.947 0 40 EDAB COC(=O)[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2CCC2)CC1 35292702 JBRYEMDTMMAYOR-INIZCTEOSA-N 334.391 1.984 0 40 EDAB O=C(NCCC(=O)N1CCOCC1)[C@@H]1CCCN1Cc1ccccc1 57153846 HHOPETAQQNJXMK-KRWDZBQOSA-N 345.443 1.016 0 40 EDAB COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1N2C(N)=O 102936033 KNJVSCVZXDFUKO-YIYPIFLZSA-N 332.356 1.317 0 40 EDAB CCC[C@H]1CCc2c(sc(=O)n2Cc2cc(=O)n(C)c(=O)n2C)C1 171989110 AKAPVYYQGUNKTP-NSHDSACASA-N 349.456 1.261 0 40 EDAB CC(=O)N1CCCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1 44895514 LBUCIUKAPFAJRY-UHFFFAOYSA-N 345.321 1.717 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)CCn1cnc2c(cnn2C)c1=O 44894166 HRTLZOVYTRXMEA-LBPRGKRZSA-N 337.383 1.498 0 40 EDAB O=C1CN(C(=O)COC(=O)c2ccccc2F)c2ccccc2N1 3315273 RZPCRROTVBNFTE-UHFFFAOYSA-N 328.299 1.968 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 3313485 UXMBYPLNNXTOIS-HNNXBMFYSA-N 341.314 1.947 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccn(C)c(=O)c1 28440206 OJXQURUXBOTHDX-ZDUSSCGKSA-N 337.383 1.799 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)NCc1ccc(Cn2cncn2)cc1 45323239 RJAMSLBRIHSHIB-QGZVFWFLSA-N 343.431 1.894 0 40 EDAB COC(=O)c1c(NC(=O)c2nc3ncccn3n2)sc(C)c1C 36618826 IMFOVGJJNSGSDH-UHFFFAOYSA-N 331.357 1.842 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(C(N)=O)cc1 48326121 GIRUPKVKWLOVPD-ZBEGNZNMSA-N 326.352 1.630 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)N1CCC(N2CCNC2=O)CC1 48386698 XHLQVZFCFRYDMN-UHFFFAOYSA-N 326.400 1.727 0 40 EDAB COc1ccccc1[C@@H](CNS(C)(=O)=O)NC(=O)OC(C)(C)C 48375427 SNFSXKCOQPOGQP-GFCCVEGCSA-N 344.433 1.810 0 40 EDAB CN1CC(=O)N(CCCC(=O)Nc2nnc(-c3ccco3)s2)C1=O 48303303 DVXZJZXYVNFUPW-UHFFFAOYSA-N 349.372 1.411 0 40 EDAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)Cn2cnnn2)CC1 48341884 HLTCPFUEBFDXBR-UHFFFAOYSA-N 335.314 1.073 0 40 EDAB CN(C)[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 3437912 RZFSCKBXSXADPU-MRXNPFEDSA-N 336.395 1.956 0 40 EDAB Cc1csc([C@@](O)(CC(=O)N2CCO[C@@H](C)C2)C(F)(F)F)n1 62640095 BISWOYFMGYSWMM-CABZTGNLSA-N 338.351 1.839 0 40 EDAB CC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 3611448 RMWCBSHLRMSHPD-UHFFFAOYSA-N 329.356 1.692 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCNCc2c(F)cccc2F)C[C@H](C)O1 48783347 RKMFYUUCUQMEII-RYUDHWBXSA-N 348.415 1.493 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)NCc1noc(-c2ccco2)n1 62901458 CXOVQYXXNCDCAD-UHFFFAOYSA-N 340.295 1.554 0 40 EDAB CCCc1cc(NC[C@H]2CCc3nnc(CC)n3C2)n2ncnc2n1 69570386 AIJPSUBFEWDUKL-GFCCVEGCSA-N 340.435 1.905 0 40 EDAB Cn1cc(-c2ncc(C(=O)N3CCCC[C@H]3CC(N)=O)s2)cn1 69699236 JQWCRUIRJJRMEH-NSHDSACASA-N 333.417 1.414 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC2=O)cc1 4084494 KCSONDBGRXLCHV-ABAIWWIYSA-N 334.372 1.274 0 40 EDAB biogenic CCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)CC2 69843193 RCJBDDFOXQIKPI-MAUKXSAKSA-N 339.443 1.765 0 40 EDAB C[C@@H](OC(=O)CCOc1ccc(C(C)(C)C)cc1)C(=O)NC(N)=O 6033130 NZFOFIPNGPLNAS-LLVKDONJSA-N 336.388 1.880 0 40 EDAB Cc1ccc2c(c1)N(CC(=O)N[C@H](CO)c1ccccc1)C(=O)CO2 13723306 UGCNTOZBUCIJOA-OAHLLOKOSA-N 340.379 1.570 0 40 EDAB CC[C@H]1CN(CCC(=O)NC2CCCCC2)CCN1CCOC 69951204 APYNEPDQVBQGNX-KRWDZBQOSA-N 325.497 1.868 0 40 EDAB O=C(N/C(=C\c1cccnc1)C(=O)N1CCOCC1)c1cccs1 6189086 MPIUFSOUEOASCP-KAMYIIQDSA-N 343.408 1.773 0 40 EDAB O=C(CCCOc1ccccc1)N1CCN(c2ncccn2)CC1 49910004 QZCQXXCVEXTBNF-UHFFFAOYSA-N 326.400 1.984 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)N[C@@H](C)Cn2ccnc2)c1 65415384 VHLOITAZBHQSDG-WFASDCNBSA-N 348.403 1.322 0 40 EDAB CCN1CCc2ncnc(N3CCC[C@H](c4nc(C)no4)C3)c2C1 65487623 LUFJKTZGAVOWFN-ZDUSSCGKSA-N 328.420 1.930 0 40 EDAB COc1ccccc1N1CCN(C(=O)[C@H](C(C)C)n2cncn2)CC1 65504978 PCULQXUSVYDVNU-KRWDZBQOSA-N 343.431 1.833 0 40 EDAB 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72389607 LJUPTUVOWOKSCF-ZDUSSCGKSA-N 341.367 1.884 0 40 EDAB COc1ccc(S(=O)(=O)NCCN2CCCCCC2)cc1F 30338373 VIYBHXCGYVMLNE-UHFFFAOYSA-N 330.425 1.989 0 40 EDAB CCS(=O)(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@@]1(COC)C(N)=S 218585666 KXGCUUZIGAHKCT-MBNYWOFBSA-N 331.434 1.645 0 40 EDAB CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)CC1 72241922 YHZYEVZVKDSESA-RDJZCZTQSA-N 333.407 1.509 0 40 EDAB Cc1ccccc1OCCSCC(=O)N[C@H]1CCCCNC1=O 78555516 SEOFHOSQKOKVQU-AWEZNQCLSA-N 336.457 1.892 0 40 EDAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218399882 NMHKLPFJRRCWTJ-BQFCYCMXSA-N 346.404 1.998 0 40 EDAB CN(Cc1cnnn1C)[C@@H](C(N)=O)c1cccc(Br)c1 136968097 BLVJNEPNXRUSNX-GFCCVEGCSA-N 338.209 1.236 0 40 EDAB NC(=O)COc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 226298230 YPEJDPSZEOABFP-UHFFFAOYSA-N 343.290 1.736 0 40 EDAB O=C(O)[C@@H](c1ccsc1)N1CCn2c(nnc2C(F)(F)F)C1 568281160 ABEGIPACCNOHAK-SECBINFHSA-N 332.307 2.000 0 40 EDAB Cc1ccc(-c2nnsc2C(=O)N2CCC(C(N)=O)CC2)cc1 225775425 MDDCWQIIDNGZGO-UHFFFAOYSA-N 330.413 1.851 0 40 EDAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)CCC(=O)O)C2 225488255 OLSVYDVHGLFFSP-ZDUSSCGKSA-N 332.356 1.917 0 40 EDAB biogenic,in-vitro CC(C)(C)c1nc(CN2CCCN(C(=O)c3cncnc3)CC2)no1 329514558 LXEPNXUMXZINGI-UHFFFAOYSA-N 344.419 1.505 0 40 EDAB COc1cccc2c1[C@H](C(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1)CC2 529957967 DIAUXRNMHYSKTI-ZMYBRWDISA-N 333.428 1.564 0 40 EDAB CNS(=O)(=O)c1ccc(NCc2cn(C)nc2C(C)(C)C)nc1 195573364 YJMSEJFGBXPEPV-UHFFFAOYSA-N 337.449 1.633 0 40 EDAB CS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 96404798 BKYHFNFPBOJALP-DLBZAZTESA-N 346.452 1.999 0 40 EDAB O=C1CCC2(CCN(S(=O)(=O)C3CC3)CC2)N1Cc1ccncc1 96228221 CUQTZGQXICWBJT-UHFFFAOYSA-N 349.456 1.531 0 40 EDAB O=C([C@H]1CCC2(CCN(c3nncs3)CC2)CO1)N1CCCC1 96224936 XDXJGDWMUJOQHC-CYBMUJFWSA-N 336.461 1.926 0 40 EDAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(O)cc1 96113925 YYJDIHUSVZOLNY-CQSZACIVSA-N 325.324 1.472 0 40 EDAB biogenic C[C@H]1c2ncc(COCC3CCOCC3)n2CCN1S(C)(=O)=O 96109807 FIFDRWMTAKWUNE-LBPRGKRZSA-N 343.449 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CCc1ncc(CN2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cn1 19523387 IXASXGZJXSBMPO-OAHLLOKOSA-N 339.443 1.922 0 40 EDAB CCC[C@]1(COC)CCCN1S(=O)(=O)c1ccc(C(=O)O)nc1 574315972 AUDIPYRRDLSUIB-OAHLLOKOSA-N 342.417 1.750 0 40 EDAB O=C(c1cc[nH]n1)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888867059 ITLIBHJDXPYRNC-MEDUHNTESA-N 331.351 1.660 0 40 EDAB Cn1cnc2ncnc(N3C[C@H]4CN(c5nccs5)C[C@H]4C3)c21 1888890743 XYNSYKOYOYGJOL-PHIMTYICSA-N 327.417 1.392 0 40 EDAB c1cc2c(N3CCN(c4ccc5nccn5n4)CC3)ncnc2cn1 1888918134 FSZSTSUVHZZDBJ-UHFFFAOYSA-N 332.371 1.394 0 40 EDAB O=C(Cn1cccn1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1055730555 RNASFTLHSDVRSF-UHFFFAOYSA-N 340.309 1.041 0 40 EDAB CC(C)N1CCO[C@@H]2CN(C(=O)c3cc(F)ncc3F)CC[C@@H]2C1 1565548296 XHFVIZIIAUNEKW-IUODEOHRSA-N 339.386 1.931 0 40 EDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)c2ccoc2)CC1 2055746229 CXFJMCFMROUAIA-UHFFFAOYSA-N 345.403 1.188 0 40 EDAB CC(C)(C)c1nccc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)n1 2086884607 UBGVKCRWOSPJFY-LBPRGKRZSA-N 338.477 1.825 0 40 EDAB Cc1nc2ccc(NC(=O)CCn3ccc(=O)[nH]c3=O)cc2s1 38680136 AXLVDYPUTVBVAW-UHFFFAOYSA-N 330.369 1.484 0 40 EDAB Cc1cc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)no1 38677410 XKMYDUDQJAUNON-UHFFFAOYSA-N 335.385 1.948 0 40 EDAB Cc1cc(N(C)C2CN(c3cc4c(nn3)CCC4)C2)n2nccc2n1 585591426 ZYCQLUSHWDKNAX-UHFFFAOYSA-N 335.415 1.641 0 40 EDAB Cc1ccc(NC(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1 10463521 OHWPFMBEOAIEDN-UHFFFAOYSA-N 332.404 1.597 0 40 EDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccnc1-n1cncn1 40489957 KKGJPQMMIZAUAQ-INIZCTEOSA-N 348.410 1.667 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(-c2nnn[nH]2)c1 40457557 PUZIGGYSTNSQHW-UHFFFAOYSA-N 337.265 1.721 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CCc2ccccc2)o1 40513937 PJDOPYBPWDOQKQ-LBPRGKRZSA-N 336.413 1.939 0 40 EDAB NC(=O)CC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 40540758 DXWFFNLRHPLQJJ-AWEZNQCLSA-N 326.824 1.667 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)[C@@H]3CCCO3)ccc21 40501794 OHPSULJDIRSBGH-BZNIZROVSA-N 338.429 1.441 0 40 EDAB O=C(CN(Cc1cccs1)C1CC1)N1CCN(C(=O)C2CC2)CC1 51408603 NKWPLKFNJPSGPU-UHFFFAOYSA-N 347.484 1.793 0 40 EDAB O=C1CNC(=O)N1N1C(=O)CS[C@H]1c1cccc2ccccc12 97065 OZFGCVBHIMEQQB-HNNXBMFYSA-N 327.365 1.881 0 40 EDAB CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 92986 VEBJMOFIAMXKCL-UHFFFAOYSA-N 330.413 1.778 0 40 EDAB CC(=O)c1ccc(NC(=O)C[C@@H]2SC(NC3CC3)=NC2=O)cc1 7987717 PVOIZNGMDQUSSP-ZDUSSCGKSA-N 331.397 1.968 0 40 EDAB Cc1ccccc1S(=O)(=O)N1C(=O)c2ccccc2S1(=O)=O 1609603 MVYMEXWAIRLDNP-UHFFFAOYSA-N 337.378 1.528 0 40 EDAB CCS(=O)(=O)C(CCCO[C@@H]1CCCCO1)S(=O)(=O)CC 2045004 OMCGTZJAWXHIGX-GFCCVEGCSA-N 342.479 1.505 0 40 EDAB CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 6358321 NIXWAIXVLHWRDD-VIFPVBQESA-N 349.250 1.641 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649503 NODWSPSDMANELZ-SMDDNHRTSA-N 343.383 1.775 0 40 EDAB O[C@H](CN[C@@H]1CCc2ncnn2C1)COCc1ccc(Cl)cc1 69742737 CKSMQRVOXJNXNN-HUUCEWRRSA-N 336.823 1.414 0 40 EDAB CN(CCCOc1ccc(F)cc1)Cc1cc(=O)n(C)c(=O)n1C 32913838 YBYSQTLZMDRVFT-UHFFFAOYSA-N 335.379 1.124 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)CCc2cc(F)ccc2F)CC1 52983780 QYXDKEWCWKHJOR-UHFFFAOYSA-N 332.372 1.001 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccsc1 22397449 RIQNGFXYWNVXCZ-UHFFFAOYSA-N 345.428 1.007 0 40 EDAB CN(CC(=O)NC1CCCCCC1)C1=NS(=O)(=O)c2ccccc21 8133678 HWSAVLFQDXLOHX-UHFFFAOYSA-N 349.456 1.906 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)C1 53893998 IWYIHDVZSKWEKN-SNVBAGLBSA-N 349.387 1.809 0 40 EDAB COc1cc(Cl)c(NC(=O)CN2CSCC2=O)cc1OC 23054206 MMWLSFWPXIXWPI-UHFFFAOYSA-N 330.793 1.829 0 40 EDAB CS(=O)(=O)N(CCCC(=O)NC1CC1)c1ccc2c(c1)OCO2 113943441 CRTYRJSQHOKJNT-UHFFFAOYSA-N 340.401 1.240 0 40 EDAB Cn1cc(CCNC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cn1 46953579 HNAWBCUWNJMXAH-GFCCVEGCSA-N 333.358 1.146 0 40 EDAB Cc1nn(C)c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1C 106717051 NKWOIRGZTOUFJL-UHFFFAOYSA-N 348.428 1.829 0 40 EDAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2NS(C)(=O)=O)cc1 1441650 PJWYNIUPIPOBMF-HNNXBMFYSA-N 347.396 1.726 0 40 EDAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc3c(c1)OCO3)CS2 23679921 QNOPYVJEHAYQAJ-ZBEGNZNMSA-N 334.397 1.486 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)Oc2ccccc21 106926359 QTHLSQWHOHXORZ-QWHCGFSZSA-N 340.445 1.165 0 40 EDAB COCc1cccc(NC(=O)CCn2nnc3ccccc3c2=O)c1 25335423 VXLWOBLIGJYPBO-UHFFFAOYSA-N 338.367 1.967 0 40 EDAB Cc1cc(NC(=O)CN(C)Cc2ccccc2N2CCOCC2)on1 25436412 SQEMAZZTEWCCDM-UHFFFAOYSA-N 344.415 1.890 0 40 EDAB CCCc1cc(C(=O)NCCN2C(=O)c3ccccc3C2=O)[nH]n1 56170102 DVGHGXMUNCFKRO-UHFFFAOYSA-N 326.356 1.388 0 40 EDAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3nc[nH]n3)cc2O1 9184304 RUIKOVNQFOPQDT-UHFFFAOYSA-N 332.316 1.272 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCc3cc(F)ccc32)C1 56314926 GUIBYUAOYWDFIH-SWLSCSKDSA-N 340.420 1.601 0 40 EDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1 100175022 JMJGZKPJQVBIJM-AHXJXLJNSA-N 327.336 1.696 0 40 EDAB COc1cc(NC(=O)/C=C/C(=O)OCC(F)(F)F)nc(OC)n1 2095652 UUNAKKSKLFFHSE-ONEGZZNKSA-N 335.238 1.094 0 40 EDAB COCCCNC(=O)CN(C)C(=O)Cc1csc(C(C)C)n1 58016486 DUCLUEOYWMQZAD-UHFFFAOYSA-N 327.450 1.420 0 40 EDAB O=C(CCc1nc(-c2ccccc2)no1)NC[C@H]1CCS(=O)(=O)C1 44720226 YJBYWCIKADPTHH-GFCCVEGCSA-N 349.412 1.220 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1 44741101 JBFBLHDGAIORLG-MJGOQNOKSA-N 345.487 1.739 0 40 EDAB CN(C)c1ccc(NC(=O)NCc2cccnc2-n2cncn2)cn1 58131822 PUKFFJFVZGEMSB-UHFFFAOYSA-N 338.375 1.445 0 40 EDAB CCNC(=O)NC(=O)CNc1cc(C(=O)OC)ccc1OC(C)C 58294491 DYMLXRSPGCXKOX-UHFFFAOYSA-N 337.376 1.518 0 40 EDAB C[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)[C@H]1CCCO1 58245430 LKIBFGFJWBUHCM-GXFFZTMASA-N 347.458 1.473 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccccc1F 58281961 JUDCLBHPGJCBQJ-UHFFFAOYSA-N 348.399 1.866 0 40 EDAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1c(C)nn(C)c1C 12552214 ADYYEIQTRVLYDU-UHFFFAOYSA-N 339.373 1.545 0 40 EDAB COCCn1cc(NC(=O)N2CCN(c3ccccc3)CC2)cn1 44973000 JZMROVAUPGUBLH-UHFFFAOYSA-N 329.404 1.884 0 40 EDAB CCN(C[C@H](C)C(=O)OC)C(=O)[C@H]1CC(c2cccc(F)c2)=NO1 58393220 WOZRVYIVNDYCMB-XHDPSFHLSA-N 336.363 1.976 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H](C(C)C)N2CCCC2=O)cc1 58379310 DOIAEMVMTXCZFI-QGZVFWFLSA-N 345.443 1.652 0 40 EDAB C[C@@H]1CCCCN1S(=O)(=O)N(C)C[C@@H]1COc2ccccc2O1 27975460 WDOJQHSMGYZSMN-ZIAGYGMSSA-N 340.445 1.877 0 40 EDAB COc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1F 11130155 GXUULHJOCVQIIL-UHFFFAOYSA-N 345.374 1.996 0 40 EDAB Cc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccccc2)cc1 3328543 FEJZJICXXDZRGL-UHFFFAOYSA-N 340.379 1.584 0 40 EDAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CCNC(=O)C1 3334418 FQMVVIHTSUWBHQ-BQYQJAHWSA-N 342.374 1.600 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)NCCn2ccnc2)Oc2ccccc21 48285739 ABTNFFNPIBXCJV-OAHLLOKOSA-N 343.431 1.812 0 40 EDAB COC(=O)COc1ccc(NC(=O)c2ccc3c(c2)nnn3C)cc1 69393869 KKLLBDJWLXIHES-UHFFFAOYSA-N 340.339 1.772 0 40 EDAB O=C(Cn1nc(-c2ccccc2)oc1=O)NC1CCN(C2CC2)CC1 48311073 ZKKQDWIAWMHGOK-UHFFFAOYSA-N 342.399 1.246 0 40 EDAB COCCNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12864737 NYNYNEFXTYOEJU-UHFFFAOYSA-N 335.429 1.490 0 40 EDAB Nn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1cccs1 3447125 UNZVSYSMLFRZQD-VIFPVBQESA-N 339.446 1.108 0 40 EDAB O=S(=O)(c1cc(F)ccc1F)N1CCC[C@H](C2OCCO2)C1 69350313 DKQMLHHMXJNDRT-JTQLQIEISA-N 333.356 1.738 0 40 EDAB CN(Cc1cccs1)C(=O)CN1CCO[C@H](Cn2cccn2)C1 69436557 FPLHEQWJWAVUJB-AWEZNQCLSA-N 334.445 1.304 0 40 EDAB Cn1nc(C(=O)NCc2ccc(OC3CCCCC3)nc2)ccc1=O 69489169 QTCJITSPQOBMFK-UHFFFAOYSA-N 342.399 1.817 0 40 EDAB CC(C)N(C)CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 63466465 WWPPZIPXWMCONF-IBGZPJMESA-N 346.519 1.822 0 40 EDAB Cc1ccc2c(CC(=O)N(C)CCNS(C)(=O)=O)coc2c1C 69898951 YLDSYPFYPMFFKX-UHFFFAOYSA-N 338.429 1.600 0 40 EDAB Cn1nnnc1SC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 69895492 XXBXJYFMWQRZJB-CYBMUJFWSA-N 349.416 1.340 0 40 EDAB CC(C)c1nc2c(n1C)CCN(C[C@H](O)COC[C@@H]1CCCO1)C2 69513860 CHOUKJKHXRFGLL-GJZGRUSLSA-N 337.464 1.458 0 40 EDAB Cc1ccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 69807638 GFCJPIFZFKNDAS-UHFFFAOYSA-N 343.474 1.495 0 40 EDAB CCN1C[C@@H](C(=O)NC[C@@H](C)N2CCc3sccc3C2)CC1=O 65399591 KVHHFEFGZJKFOT-OCCSQVGLSA-N 335.473 1.479 0 40 EDAB CC(C)OCCC(=O)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 69641450 CJJAOGRZXCAODU-UHFFFAOYSA-N 340.401 1.191 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN(CCCO)[C@H]1CCc2ccccc21 69654422 UGNIRWWFPFCESA-INIZCTEOSA-N 347.459 1.983 0 40 EDAB CN(C(=O)NCc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 65415563 MPLLGUZHUDTJMW-OAHLLOKOSA-N 348.428 1.201 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)Cn1cnc2c(cnn2C)c1=O 14068164 BJNLGIBFBIIXTL-NSHDSACASA-N 341.371 1.016 0 40 EDAB C[C@H]1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C[C@H](C)O1 14118697 JKYOHQSGVMMINS-HOTGVXAUSA-N 347.459 1.567 0 40 EDAB CNC(=O)COC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 6538773 RAVYUJGSMUKOLB-BQYQJAHWSA-N 330.384 1.228 0 40 EDAB CC(C)N(C(=O)COC(=O)Cn1cnc2ccccc2c1=O)C(C)C 6544612 IFINPRWZTOKAAS-UHFFFAOYSA-N 345.399 1.585 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 8710441 WZTAIMFCCXQOQT-UHFFFAOYSA-N 347.415 1.966 0 40 EDAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCCCn1ccnc1 6658637 ADHAYQLVSGDRJT-ZDUSSCGKSA-N 341.367 1.963 0 40 EDAB biogenic COC(=O)[C@@H]1C[C@H](Oc2cccc(I)c2)CN1 14632547 VHAWMGPYKHHFSN-QWRGUYRKSA-N 347.152 1.574 0 40 EDAB CCOCCc1nnc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)s1 4975825 BORKCQYGHYMSOW-JTQLQIEISA-N 340.449 1.703 0 40 EDAB CC(C)CCn1nc2c(S(=O)(=O)N3CCCC3)cccn2c1=O 67246198 WDWXDWQWMMFVBC-UHFFFAOYSA-N 338.433 1.327 0 40 EDAB COCc1cc(=O)n(CC(=O)Nc2ccccc2)c(N2CCCC2)n1 67256930 DGUBVFWJROHDFH-UHFFFAOYSA-N 342.399 1.629 0 40 EDAB NC(=O)C1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1 7359331 DGKCJYGZJKDVHV-UHFFFAOYSA-N 330.432 1.423 0 40 EDAB CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 90531975 XRIUWWOAQHUWIY-WCQYABFASA-N 336.461 1.908 0 40 EDAB CCN(CC)CCNS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 7612557 HUEJIKIMDFGSOV-UHFFFAOYSA-N 343.449 1.274 0 40 EDAB CC(C)(C)n1cc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)cn1 93263197 RFMXRKDKKSSTIO-UHFFFAOYSA-N 343.453 1.137 0 40 EDAB CN(C)C(=O)N1Cc2ccnn2[C@@H](CCOCC2CCOCC2)C1 306126759 FEQDRBLYBCPRIU-INIZCTEOSA-N 336.436 1.755 0 40 EDAB COc1ccccc1N1CCN(Cc2c(O)c(=O)cc(C)n2C)CC1 96117037 MFWBXDNYVAVPDY-UHFFFAOYSA-N 343.427 1.730 0 40 EDAB CCN(CC)c1ncc(CN2CC[C@@H](NS(C)(=O)=O)C2)s1 93530724 BWLTUOZFPWAHHU-LLVKDONJSA-N 332.495 1.113 0 40 EDAB O=C(NCc1cn(-c2ccccc2)nn1)N[C@@H](CO)c1ccccc1 96461838 RHFLDUZHMIXQQT-KRWDZBQOSA-N 337.383 1.800 0 40 EDAB CN(C)C[C@H]1CN(CC(=O)N2CCC[C@@H]2c2cccs2)CCO1 71878865 RDJHMRCWJSZYHA-LSDHHAIUSA-N 337.489 1.674 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N1CCC[C@@H]1c1cccs1 71803266 MFXCZJKFRXDMCB-GFCCVEGCSA-N 345.490 1.924 0 40 EDAB O=C(CNC[C@@H]1CCCN1c1cccnn1)NCCc1cccs1 71859859 IENXLHLQHPTKBY-AWEZNQCLSA-N 345.472 1.455 0 40 EDAB COCCNC(=O)CNC(=O)CCc1ccccc1Br 71945891 GOPRSKPLGQXRKC-UHFFFAOYSA-N 343.221 1.261 0 40 EDAB O=C1NCCN(C(=O)[C@H]2CCCO2)[C@H]1c1ccccc1C(F)(F)F 97081674 BXHQSZAMQPOVPV-OLZOCXBDSA-N 342.317 1.884 0 40 EDAB O=S(=O)(c1ccc(Br)cc1F)N1CC[C@H](CO)C1 97096067 RMQXDBRBXJFZHS-QMMMGPOBSA-N 338.198 1.591 0 40 EDAB COCc1cccc(S(=O)(=O)N[C@H](C(=O)OC)C(C)(C)C)c1 72289864 SCZLEJLNSAXMCY-CYBMUJFWSA-N 329.418 1.699 0 40 EDAB Cc1cccc(O[C@@H](C)C(=O)OCCn2ncc(C(N)=O)c2N)c1C 72289707 QCPDXLZANVKKEY-LBPRGKRZSA-N 346.387 1.192 0 40 EDAB Cc1cccc(C2(C(=O)N3CC[C@]4(C3)NC(=O)NC4=O)CCCC2)c1 72290621 YRWDRNSNJBWEPU-LJQANCHMSA-N 341.411 1.617 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CCC2 72291472 DYKWFMAMGWSFRA-HNNXBMFYSA-N 338.429 1.395 0 40 EDAB CC(C)C(=O)N1CCCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 76669454 SLAFBTOANDYSLE-CQSZACIVSA-N 331.482 1.296 0 40 EDAB O=C1N[C@H](c2cc(Br)cc3c2OCC3)N2CCOC[C@@H]12 97142075 LZAPIKUUUPZAAX-AAEUAGOBSA-N 339.189 1.213 0 40 EDAB COc1c(C(=O)NCCN(C)C2CCCCC2)cnc2c1cnn2C 97107259 FVLOOBFEUAYIFO-UHFFFAOYSA-N 345.447 1.971 0 40 EDAB Cc1cc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)n[nH]1 78901946 BCYSOQGJRBZPJQ-CABCVRRESA-N 330.432 1.683 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@H]1CCN(Cc2nccn2C)C1 84671379 QFOIXZSZQPSITG-AWEZNQCLSA-N 344.419 1.304 0 40 EDAB CC1(C)CN=C(N2CCN(CCCN3CCOCC3)CC2)S1 84673664 CUYIOJGLMFQPHR-UHFFFAOYSA-N 326.510 1.208 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCN(Cc2cc(=O)c(O)co2)CC1 95398974 HNEHOAIBOAUERH-UHFFFAOYSA-N 346.358 1.371 0 40 EDAB CCO[C@@H]1C[C@@H](O)C12CCN(c1ncc(Br)cn1)CC2 95400793 ZZWRBMDIBPPRQP-VXGBXAGGSA-N 342.237 1.995 0 40 EDAB O=C(NCC1(c2ccccc2Cl)CC1)N1CCN2C(=O)NC[C@H]2C1 95449913 ZKKMQEJBBWUWLO-LBPRGKRZSA-N 348.834 1.791 0 40 EDAB O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 95436339 VFVVDNVCXWQWFC-WTTBNOFXSA-N 342.443 1.917 0 40 EDAB O=C(c1cc2ccccc2oc1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 73152562 IVIKWYJQMRFPAB-CYBMUJFWSA-N 347.392 1.585 0 40 EDAB C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCS(=O)(=O)CC1 73311293 PUIUJTWCGSMDQY-CQSZACIVSA-N 336.457 1.475 0 40 EDAB Cn1nccc1CCNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1 95940956 VJMVIPHYPAAYCX-MRXNPFEDSA-N 332.448 1.650 0 40 EDAB CN1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H]1c1ccc(Cl)c(F)c1 89375087 ZJAPYASBSCMIMC-GUTXKFCHSA-N 339.798 1.619 0 40 EDAB CC(C)OC(=O)[C@H](C)CNC(=O)CNC(=O)OCc1ccccc1 75148634 KNWZXCGMCJFQID-CYBMUJFWSA-N 336.388 1.617 0 40 EDAB COC(=O)[C@@]1(C(C)=O)NC(C)=C(c2ccccc2)C(C(=O)O)=C1C 408722663 VQSZHTVUMWSIBG-GOSISDBHSA-N 329.352 1.923 0 40 EDAB O=C(NC[C@@H]1CN(Cc2ccoc2)Cc2ccnn21)N1CCCC1 306138796 SHSSQVLEKZRVTK-MRXNPFEDSA-N 329.404 1.838 0 40 EDAB COC[C@H](C)NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 408618420 KGJPWEWIOANRAO-STQMWFEESA-N 328.434 1.301 0 40 EDAB COCC1(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@H]2C(=O)O)CC1 515174196 WOTHXWVALVRMMZ-KBPBESRZSA-N 339.413 1.438 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)CC1 71280458 WXHKVPWGQZXPDE-KBPBESRZSA-N 335.404 1.292 0 40 EDAB C[C@H]1CN=C(N2CCN(Cc3nc(-c4ccncc4)no3)CC2)S1 79497145 HXJQVHVWJGOSPZ-LBPRGKRZSA-N 344.444 1.741 0 40 EDAB COc1cccc(CNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)c1 31520422 WCWZWAUOIXQGAS-UHFFFAOYSA-N 338.360 1.412 0 40 EDAB O=S(=O)(Nc1ccc2c(c1)OCO2)c1cnn(-c2ccccn2)c1 72238964 ZSKAZWSIJCQJNZ-UHFFFAOYSA-N 344.352 1.797 0 40 EDAB O=C(c1ccc(-n2cccn2)nn1)N1CCN(c2ccccn2)CC1 70641255 MZWJALZRVNKTNJ-UHFFFAOYSA-N 335.371 1.020 0 40 EDAB Cc1nc(C(=O)N2CC[C@H](N(C)C)[C@H]2C)nn1-c1ccc(F)cc1 557408120 WNBPTFZCPNBQDC-ABAIWWIYSA-N 331.395 1.879 0 40 EDAB CCOC(=O)[C@H]1CCCN(Cc2ccnc(N3CCOCC3)n2)C1 72348178 WVBXUBSQSJEMHU-AWEZNQCLSA-N 334.420 1.088 0 40 EDAB CN(C)C(=O)c1cccc([C@H]2CN(c3ncccn3)CCN2C)c1 72368975 BWSZSFVTDKNLKQ-MRXNPFEDSA-N 325.416 1.672 0 40 EDAB NC(=O)CCc1cccc(C2CCN(C(=O)C3CCOCC3)CC2)n1 72360530 YMXZPTXKLVCANC-UHFFFAOYSA-N 345.443 1.632 0 40 EDAB O=C1CC[C@H](N2CCN(Cc3cccc4c[nH]nc34)CC2)CCN1 560156581 RBVLWVYSZKPZLP-INIZCTEOSA-N 327.432 1.349 0 40 EDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(NS(C)(=O)=O)c(F)c1 71284935 NFCBHLSAHGNODJ-QWRGUYRKSA-N 344.364 1.493 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(N)C(=O)O)cc1 218051115 HSHPLOPCHMUZAE-INMHGKMJSA-N 331.393 1.717 0 40 EDAB Cc1nc([C@H]2CCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)n[nH]1 562719233 AHIDEDHVMQRZNF-HNNXBMFYSA-N 336.399 1.988 0 40 EDAB O=C(Nc1nc2c(s1)CCC2)[C@H](c1ccccc1)n1cnnn1 80330131 SGMUZAARIMEMQL-ZDUSSCGKSA-N 326.385 1.846 0 40 EDAB CC(C)N(C)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 190636836 PYBBBMRPQUCSFE-UHFFFAOYSA-N 336.411 1.842 0 40 EDAB Cc1cc(C)n(CCNC(=O)CCS(=O)(=O)c2ccccc2)n1 44158957 QPWZJNBRRQHMMD-UHFFFAOYSA-N 335.429 1.480 0 40 EDAB COc1cccc(OCC(=O)N2CCC[C@@H](Oc3cnccn3)C2)c1 225469865 JNVNZZLLBJZAHT-MRXNPFEDSA-N 343.383 1.934 0 40 EDAB O=C(O)C[C@H](NS(=O)(=O)N1C[C@H]2CC[C@H]1C2)c1ccc(F)cc1 572599178 REAWZAPBFHAOKV-BPNCWPANSA-N 342.392 1.660 0 40 EDAB Cc1cc(=O)n(CC(=O)Nc2ccccc2)c(N2CCOCC2)n1 49411055 ONXZEIWOXQGEDM-UHFFFAOYSA-N 328.372 1.027 0 40 EDAB Cc1ccnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 195539191 IUGWPTNMVSSWQF-UHFFFAOYSA-N 340.431 1.343 0 40 EDAB O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H]1CCCN1 225387520 JNVJQCODRAVLMW-JKSUJKDBSA-N 337.851 1.582 0 40 EDAB COC[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1C(C)C 96051778 JBFNMXUNIQXLRD-CQSZACIVSA-N 330.494 1.690 0 40 EDAB CN(CCc1ccccc1)C[C@@H]1OC[C@H](NCc2ccccn2)[C@H]1O 514289182 YLORFRBUAAGTFK-SLFFLAALSA-N 341.455 1.474 0 40 EDAB biogenic,in-vitro Cc1nc2ccccn2c1CN1CCCC[C@H]1CNS(C)(=O)=O 96468461 SZTXFJDNRMJKPR-AWEZNQCLSA-N 336.461 1.546 0 40 EDAB Cc1c[nH]cc(C(=O)NCC2CCN(CC(F)(F)F)CC2)c1=O 334103709 PBURVLKEWCKTBU-UHFFFAOYSA-N 331.338 1.687 0 40 EDAB Cc1cccc(CN2CCO[C@H]3CN(C(=O)C4CC4)CC[C@H]3C2=O)c1 96107154 UWRQTEGOXRXJEG-MSOLQXFVSA-N 342.439 1.981 0 40 EDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 96054364 KHVSTYDQONXCJM-SJORKVTESA-N 342.399 1.412 0 40 EDAB COc1ccccc1CCNC(=O)Cc1ccc(-n2cnnn2)cc1 96117288 FZEDLRUKUYOZLT-UHFFFAOYSA-N 337.383 1.572 0 40 EDAB c1csc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN2CCCC2)n1 96057925 LLRGVKGPDYTPPQ-ZMSDIMECSA-N 337.489 1.987 0 40 EDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1=NOC2(CCNCC2)C1 96088451 LZKBUCLOZLGDRX-INIZCTEOSA-N 342.443 1.276 0 40 EDAB O=S1(=O)CC[C@@H](c2nc(-c3ccc(Br)o3)no2)C1 96448207 VOKKBHZNKBTLGU-ZCFIWIBFSA-N 333.163 1.994 0 40 EDAB Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(C(=O)C3CC3)C2)C1 96226138 LZCFKZAKBPZQOM-QGZVFWFLSA-N 328.372 1.486 0 40 EDAB COCC(=O)N1CCc2nc(C(=O)Nc3cccnc3)sc2CC1 96146926 JMYCUKIOMGUXIE-UHFFFAOYSA-N 346.412 1.364 0 40 EDAB CN(C)CCOCc1nnn2c1CN(Cc1nccs1)CCC2 96058824 ALXYKWXXSHFGCR-UHFFFAOYSA-N 336.465 1.219 0 40 EDAB CO[C@H]1CCN(c2ncc(F)cn2)[C@@H]2CN(Cc3ccco3)C[C@H]12 96111079 MJFBJVBAFBKINA-XHSDSOJGSA-N 332.379 1.934 0 40 EDAB Cn1cc(CN2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)cn1 96042199 CAUUJRCZOSDWHS-OKZBNKHCSA-N 328.416 1.764 0 40 EDAB Cc1cc(C(=O)N2C[C@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)no1 96187215 HXZWKJROXFJJON-ILXRZTDVSA-N 347.346 1.968 0 40 EDAB O=C(NCc1ccco1)[C@H]1CN(CC2CCOCC2)Cc2ccnn21 247491937 MTWMRLXCGQYXDQ-QGZVFWFLSA-N 344.415 1.576 0 40 EDAB CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Cn1cccc(C)c1=O 583620005 IQDURELXOGPHBY-ZFWWWQNUSA-N 330.388 1.020 0 40 EDAB Cc1nn(C)c(Cl)c1CN[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 583619465 CCMPNQIEJSJYHH-BXUZGUMPSA-N 336.827 1.177 0 40 EDAB O=C(c1coc(Br)c1)N1CCC[C@](O)(c2cnn[nH]2)C1 583617720 INNXALDNMRMAHU-GFCCVEGCSA-N 341.165 1.284 0 40 EDAB Cc1cc(C)n(CCCC(=O)N2CC[C@@](O)(CN3CCCC3)C2)n1 257293342 QPCIFVGFXINNPY-GOSISDBHSA-N 334.464 1.339 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCO[C@H](CCc2ccncn2)C1 257309342 UAONBBVVRWTBLN-OAHLLOKOSA-N 330.388 1.484 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)Cn2nnc3ccccc32)n1 257238794 HMODXVIYQOBGDB-AWEZNQCLSA-N 326.360 1.063 0 40 EDAB Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCN(S(C)(=O)=O)C2)n1 257229016 FWGKFQADIICUFJ-ZDUSSCGKSA-N 349.460 1.978 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@H](c2nc(C)cc(O)n2)C1 257287084 POLHVEHSGAZFIH-JTQLQIEISA-N 335.389 1.118 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)C2CCN(C(C)C)CC2)n1 257334157 YEUCPRSJRUDCQZ-INIZCTEOSA-N 348.447 1.511 0 40 EDAB CCOC(=O)C(C)(C)c1csc(CN2CCN(C(C)=O)CC2)n1 252479256 BCBCLZNODQLBMC-UHFFFAOYSA-N 339.461 1.648 0 40 EDAB COc1ncccc1C(=O)N1CCC[C@@H]1c1nccc(CN(C)C)n1 257279021 OEQRKJPUZAKKAY-OAHLLOKOSA-N 341.415 1.919 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](CO)c2ccccn2)c1 585087834 VPCKYNLGQUBDOE-SUMWQHHRSA-N 328.368 1.901 0 40 EDAB COCCN1CCN(Cc2cnc([C@@]3(C)CCCCO3)nc2)CC1 257336954 YQTYFFWZKVBOCI-GOSISDBHSA-N 334.464 1.656 0 40 EDAB COCC(=O)N1CCC[C@@](CCCc2ccncc2)(C(=O)N(C)C)C1 257305502 SQHWASWWICPHML-LJQANCHMSA-N 347.459 1.748 0 40 EDAB CCOC[C@]1(N)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)CC 252516202 QMVAOSZZTJCWOU-ZNMIVQPWSA-N 327.402 1.050 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)n1 257208177 BLAZAYRSANRDLE-HNNXBMFYSA-N 338.371 1.608 0 40 EDAB COCCN1CC[C@H](CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 253370589 SVDORNUSOOYJTQ-ZBFHGGJFSA-N 335.452 1.615 0 40 EDAB CCn1nccc1-c1cc(C)nc([C@@H]2CCCN2C(=O)COC)n1 257331380 XSPVAWMUKZFAHX-HNNXBMFYSA-N 329.404 1.978 0 40 EDAB CCOc1nccn2c(CNC(=O)c3cnc4ccccc4n3)nnc12 253472379 LXWNYFMFEBBSSU-UHFFFAOYSA-N 349.354 1.396 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(CC3(O)CCOCC3)CCO2)ccn1 257277071 NWHZTUYYFXRFCG-QGZVFWFLSA-N 349.475 1.323 0 40 EDAB C[C@@](O)(C(=O)NCc1cccnc1OCC(F)F)c1ccccn1 1615621946 JTTKYVRIUWXXFQ-INIZCTEOSA-N 337.326 1.644 0 40 EDAB CCc1ncnc(O[C@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C2)c1F 390827406 GXKYBQJZCBLGNO-LBPRGKRZSA-N 332.335 1.105 0 40 EDAB CNS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 390834677 NIVYSQPKVYQQPL-INIZCTEOSA-N 347.440 1.315 0 40 EDAB O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)N1CC[C@@H](O)C1 390833085 BXDWGXMRUIJPKL-SECBINFHSA-N 337.273 1.959 0 40 EDAB O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1O 390835385 MGARZCICHBMJRZ-JTQLQIEISA-N 341.410 1.018 0 40 EDAB O=C(N1CCCn2nnc(CN3CCCCC3)c2C1)C1(F)CCC1 585110553 WBGCCBCOYNOOKI-UHFFFAOYSA-N 335.427 1.889 0 40 EDAB O=C(Nc1cnccn1)C1CCN(C(=O)c2ccccc2O)CC1 55629238 FVHMBJIYRRFZPA-UHFFFAOYSA-N 326.356 1.673 0 40 EDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N1CCCC[C@@H]1C 54114751 NRQLKAQFMCTRLL-NSHDSACASA-N 343.431 1.779 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(Cn2nc(N(C)C)sc2=S)C1 66448826 CNKXVQWHBNROEB-LLVKDONJSA-N 343.522 1.936 0 40 EDAB COc1cccc(CN2CCN(c3ccc4nncn4n3)[C@H](C)C2)c1 69459474 MUQYUPNCHKPXPX-CQSZACIVSA-N 338.415 1.844 0 40 EDAB CN1C[C@@H]2[C@@H](CCCN2C(=O)Nc2cnn(-c3ccncc3)c2)C1=O 1615002645 KYCOUVZVPIIXND-HUUCEWRRSA-N 340.387 1.352 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC1=CCCCC1 12735549 LVEBGWDFQZUQIA-UHFFFAOYSA-N 338.429 1.963 0 40 EDAB Cc1cnc(-c2nc(O)c3c(n2)CN(C(=O)c2ccncc2)CC3)cn1 13227864 OYJSJLPYECCJBV-UHFFFAOYSA-N 348.366 1.541 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1OC 16681807 OYPCXEXUBIDVJB-UHFFFAOYSA-N 348.424 1.923 0 40 EDAB Cc1ccnc2[nH]c(CN3CCN(C(=O)c4ccncc4)CC3)nc12 162152763 IJDIJZXXTBNXFE-UHFFFAOYSA-N 336.399 1.619 0 40 EDAB Cc1csc2c(N3CCO[C@H](C(=O)N4CCCC4)C3)ncnc12 1889114161 KXNNJKNPTNSALW-LBPRGKRZSA-N 332.429 1.827 0 40 EDAB CCn1cc(C(=O)N2CCOC[C@H]2c2nc(C)cc(NC)n2)cn1 1848353822 UYDVTZJUMNMRCN-ZDUSSCGKSA-N 330.392 1.257 0 40 EDAB CCOC(=O)C1=C(COc2ccc3ccc(=O)oc3c2)NC(=O)NC1 31640254 IMURDCVIYKVCSI-UHFFFAOYSA-N 344.323 1.302 0 40 EDAB CN1C(=O)CC[C@H]1c1nc(CNC(=O)Nc2ccc(F)cc2)no1 1775964054 PPXZQQZQBCMBSO-NSHDSACASA-N 333.323 1.824 0 40 EDAB biogenic,in-vitro O=S(=O)(c1c(F)cccc1F)N1CC(Oc2cccnc2)C1 238812278 APBYAJVEGQAVGK-UHFFFAOYSA-N 326.324 1.812 0 40 EDAB COCCN1CC[C@]2(CCCN(C(=O)CN(C)C(C)C)CC2)C1=O 1614927295 GXDYTMOPFGQSML-GOSISDBHSA-N 339.480 1.204 0 40 EDAB O=C1C[C@H](NS(=O)(=O)c2cccnc2)CN1c1cccc(F)c1 4303439 PVICBEQSVACSPG-LBPRGKRZSA-N 335.360 1.305 0 40 EDAB Cc1ccc(C)c(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 4370510 HMTOKLDPOAUJTR-UHFFFAOYSA-N 337.383 1.899 0 40 EDAB CC(C)CC(=O)N[C@@]1(C(F)(F)F)NC(c2ccccc2)=NC1=O 4452606 QIZPRFKGOOWMMR-CQSZACIVSA-N 327.306 1.984 0 40 EDAB O=C([C@@H]1CN(Cc2cccnc2)CCO1)N1CCC(F)(F)CC1 2086884573 NGPHQXRKQLPYJG-AWEZNQCLSA-N 325.359 1.540 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@H]2CS3)cc1 575615311 CNNGFUXMCPJNFL-WDEREUQCSA-N 328.415 1.743 0 40 EDAB O=C(NCc1cncc(-c2ccoc2)c1)N[C@@H]1CCS(=O)(=O)C1 575620055 JHDTZKDREWKFME-CQSZACIVSA-N 335.385 1.328 0 40 EDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)NCc1cccs1)C2 585150357 OZGINFWOYQFCFJ-LBPRGKRZSA-N 331.445 1.961 0 40 EDAB O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1cc(-c2ccco2)n[nH]1 225785170 QJNLZJBNERBBTN-SNVBAGLBSA-N 325.328 1.040 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NC[C@@](C)(O)c2ccco2)c1 75156333 NLAWEMHQCIRQFY-OAHLLOKOSA-N 341.385 1.483 0 40 EDAB COc1cccc(CNC(=O)C(=O)NCC[C@H](O)c2ccccc2)c1 85436522 OMYUPOFJXFYUQY-KRWDZBQOSA-N 342.395 1.551 0 40 EDAB O=C(NCCCN1CCOCC1)C1(c2ccccc2)CCOCC1 20293025 PVZXCUIJCQVKLT-UHFFFAOYSA-N 332.444 1.573 0 40 EDAB Cc1nc(CSc2ccccc2C(=O)N[C@H]2CCCNC2=O)no1 50635538 CQFFZBQXXQWQSI-LBPRGKRZSA-N 346.412 1.679 0 40 EDAB CC(C)c1cccc(OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 40456826 YURMBIYUIZSPJE-MRXNPFEDSA-N 325.430 1.882 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NCc2csc(Br)c2)C1 40519961 SJZBATZBLDGUGQ-SECBINFHSA-N 346.250 1.918 0 40 EDAB CN(Cc1ccc(Br)o1)C(=O)[C@H]1CCCN(C(N)=O)C1 40519901 LNIWSCQFIJRWEO-VIFPVBQESA-N 344.209 1.791 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11412903 ZEMZLWYFRMQIJI-NSHDSACASA-N 344.390 1.755 0 40 EDAB CC(C)C[C@@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)c2ccccc2C1=O 95401 DDJHFDJIQXZPCO-BBRMVZONSA-N 344.411 1.993 0 40 EDAB COc1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 8329054 MZGLSVBWVYNSBB-UHFFFAOYSA-N 331.372 1.888 0 40 EDAB O=C(C[C@@H]1C(=O)Nc2ncnn21)Nc1ccc(Br)cc1 20719660 MWPILEQPVUESMD-SECBINFHSA-N 336.149 1.563 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2cccnc2N(C)C)cc1 32437994 FPAVSIWCXURLCB-UHFFFAOYSA-N 349.412 1.413 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N[C@@H]3CCCC[C@@H]3C)nc2n1 3542250 BYBJJXUXVVAVIG-GXFFZTMASA-N 345.403 1.593 0 40 EDAB Cc1cccnc1NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 46336444 WIYFMTOAEUUZGH-QGZVFWFLSA-N 340.427 1.931 0 40 EDAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 6325771 UQEMLPRDMXARHP-UHFFFAOYSA-N 342.461 1.914 0 40 EDAB O=c1c2ccc(F)cc2ncn1CCS(=O)(=O)Oc1ccccc1 17734755 KLBSMAKOXFICOW-UHFFFAOYSA-N 348.355 1.944 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1 69740040 GIHQYQDDQMHLHC-UHFFFAOYSA-N 332.425 1.994 0 40 EDAB COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCCCCC1 8404955 WULXNZWRMHPWCM-UHFFFAOYSA-N 340.445 1.962 0 40 EDAB COC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C 2627265 JEXUNEGLBLKRLN-ZDUSSCGKSA-N 326.780 1.384 0 40 EDAB COc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc(OC)c1C 22546705 OWIKXGWKMVSSMW-HNNXBMFYSA-N 327.402 1.319 0 40 EDAB Cn1nc(C(=O)N2CCN(c3ccccc3Cl)CC2)ccc1=O 12069941 HBKFUSRCUPVYDW-UHFFFAOYSA-N 332.791 1.396 0 40 EDAB O=C(NCC(F)(F)F)c1cccc(NCC(=O)N2CCOCC2)c1 22908855 PLBBIOSBWSVPSP-UHFFFAOYSA-N 345.321 1.249 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccncc2)C1 42753141 XGNHNJKRWZPJSQ-LSDHHAIUSA-N 337.445 1.417 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O 24090625 JLHAQWLGHVEKKP-HIFRSBDPSA-N 338.379 1.670 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)NCc3cnn(C)c3)CC2)cc1 54811957 ZPZDJGKCQWJGDF-UHFFFAOYSA-N 341.415 1.396 0 40 EDAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N1CCN(C(=O)C2CC2)CC1 24593771 DYOSMDHHUIMFNL-KGLIPLIRSA-N 347.434 1.946 0 40 EDAB C[C@@H]1CN([C@H](C)CNC(=O)Cc2cn3ccsc3n2)C[C@@H](C)O1 106056157 HWEZOUIHCHGASV-JHJVBQTASA-N 336.461 1.552 0 40 EDAB CCN1CCN([C@H](C)CNC(=O)Cn2ccc(C(F)(F)F)n2)CC1 46946461 MGJRGHGVVVUFDV-GFCCVEGCSA-N 347.385 1.044 0 40 EDAB CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N[C@H](C)CC)C1=O 24928425 GRJQVZCLEHIFGY-LLVKDONJSA-N 347.371 1.295 0 40 EDAB O=C1CCCc2[nH]c(=O)c(C(=O)Nc3cccnc3-n3cccn3)cc21 25011777 WETKPFXWUYVGCD-UHFFFAOYSA-N 349.350 1.727 0 40 EDAB O=C(Cc1ccccc1)NCC(=O)Nc1ccccc1-n1cncn1 25000643 LAEVSHYUVWSMHG-UHFFFAOYSA-N 335.367 1.565 0 40 EDAB O=C1CCC2(CCN(C(=O)c3cncnc3)CC2)CN1CC1CC1 108534680 FVOFPZSXHNTAGU-UHFFFAOYSA-N 328.416 1.731 0 40 EDAB CCCOc1ccc(S(=O)(=O)NC[C@@H](C)N2CCOCC2)cc1 47454487 QMTJQHWFACPGKG-CQSZACIVSA-N 342.461 1.474 0 40 EDAB O=C(NCc1nnc2ccccn12)Nc1cccc(Cn2cncn2)c1 56733077 ODKZIUTVERFTBR-UHFFFAOYSA-N 348.370 1.691 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)c1)NCc1cccs1 26383091 LQWCTRXPUFPIIX-UHFFFAOYSA-N 332.429 1.979 0 40 EDAB COc1ccc(S(=O)(=O)Nc2nc(CCC(=O)O)cs2)cc1 26423692 LUYUYNXNVLCHPX-UHFFFAOYSA-N 342.398 1.970 0 40 EDAB COc1ccc(CC(=O)NCCn2ncc3c2c(C)nn3C)cc1 57279752 KHZXFFAKYOPLOF-UHFFFAOYSA-N 327.388 1.446 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1 57558235 ZHQHLEOUANBOJR-UHFFFAOYSA-N 345.380 1.090 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCOCC1 61721225 SNGNUFKTIZWXLW-ZIAGYGMSSA-N 346.383 1.454 0 40 EDAB CCNC(=O)c1cccc(NC(=O)Cn2nnnc2C(C)(C)C)c1 58049116 GDZMIMCPNZLISE-UHFFFAOYSA-N 330.392 1.359 0 40 EDAB O=C(CCNC(=O)Nc1ccc2c(c1)OCO2)Nc1ccncc1 58218651 VKDFIEDOJMTTFR-UHFFFAOYSA-N 328.328 1.961 0 40 EDAB COc1ccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1C 58264502 IZCAGKSWTMJNGT-LBPRGKRZSA-N 329.443 1.862 0 40 EDAB COc1ccc2c(C)c(CC(=O)NCCCC(=O)O)c(=O)oc2c1C 2155544 XKARMMINCLRIBW-UHFFFAOYSA-N 347.367 1.942 0 40 EDAB biogenic O=C(NCCn1ccnc1)C1=NN(Cc2ccccc2)C(=O)CC1 44951940 ABLIRRZXPCEYFH-UHFFFAOYSA-N 325.372 1.178 0 40 EDAB CC(=O)N1CCN(C(=O)NCc2ccnc(N3CCCCC3)c2)CC1 44967687 RSKAVJKGZRNFAL-UHFFFAOYSA-N 345.447 1.446 0 40 EDAB Cc1cccc(OCC(=O)N2CCC(CN3CCOCC3)CC2)c1 44944729 VHQGUWFCNAQKFQ-UHFFFAOYSA-N 332.444 1.945 0 40 EDAB CC(C)[C@H](C(=O)N(C)Cc1ccc(C(N)=O)cc1)N1CCCC1=O 58344029 OQSCKQLNRPXXNT-MRXNPFEDSA-N 331.416 1.391 0 40 EDAB O=S(=O)(NCc1cccnc1N1CCOCC1)c1ccccc1 28042133 QKOCJKMXWVTGQB-UHFFFAOYSA-N 333.413 1.397 0 40 EDAB COc1cccc(OC)c1OC[C@@H](O)CN1C[C@H](C)O[C@@H](C)C1 21348171 SVHIBLHKENVHQS-IHRRRGAJSA-N 325.405 1.553 0 40 EDAB Cn1ncc(C(=O)N2CCN(Cc3ccco3)CC2)c1-n1cccc1 36394620 ULRNPHIDPCMKSI-UHFFFAOYSA-N 339.399 1.762 0 40 EDAB O=C(O[C@@H]1CCOC1=O)c1ccc(I)cc1 3282177 YRYXWLGOIUDRIR-SECBINFHSA-N 332.093 1.764 0 40 EDAB CC(=O)N1CCN(C(=O)CSc2ncnc3sccc23)CC1 3255955 ZGBXSWQXWYZAII-UHFFFAOYSA-N 336.442 1.474 0 40 EDAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc[nH]c1=O 69444390 QFUNQRRVGVEYKH-UHFFFAOYSA-N 338.367 1.662 0 40 EDAB Cc1nnc(S[C@H](C(=O)NC(N)=O)c2ccccc2)n1C1CC1 12778725 PICDXCMEXOTSAI-LBPRGKRZSA-N 331.401 1.950 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCc1ccc2c(c1)OCO2 48286476 FCYCNSLGZWKQJB-UHFFFAOYSA-N 341.323 1.526 0 40 EDAB CC1CCN(C(=O)c2ccccc2NC(=O)N2CCNC(=O)C2)CC1 69493658 ZHXIMJVXBPKHHK-UHFFFAOYSA-N 344.415 1.522 0 40 EDAB Cc1ccc(CNC(=O)c2nnc(CN3CCC(O)CC3)s2)cc1 12853369 XWKJLMDINTUFQY-UHFFFAOYSA-N 346.456 1.733 0 40 EDAB O=C1NCCN1C1CCN(C[C@@H](O)COCc2ccccc2)CC1 69414555 ONBUEGVXAKIJLJ-QGZVFWFLSA-N 333.432 1.054 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)c1 69558451 TXKBRPRNEYYBKW-CQSZACIVSA-N 348.428 1.316 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)OCc1nnnn1-c1ccccc1 24536157 BCKJIFJZTXFJTM-NSHDSACASA-N 341.327 1.117 0 40 EDAB CCc1nc(CC(=O)N2CCCN(Cc3cnn(C)c3)CC2)cs1 69630404 LWALIBWBBRRJEO-UHFFFAOYSA-N 347.488 1.716 0 40 EDAB CN(CCc1ccccn1)C(=O)CNC(=O)c1cc(F)cc(F)c1 63682518 IGMLCJXIDCLVQN-UHFFFAOYSA-N 333.338 1.791 0 40 EDAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccnc1OC 69620491 XCHVDKXGMHYPBF-JSGCOSHPSA-N 341.367 1.710 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)O 4085536 BVFKRSWCZDTZRX-OVPYMJBVSA-N 348.424 1.872 0 40 EDAB biogenic COc1ccccc1C[C@H]1[C@@H](O)c2ccccc2S(=O)(=O)N1C 13681527 GGAZERUPDAAWJX-YOEHRIQHSA-N 333.409 1.974 0 40 EDAB COc1cccc(CC(=O)N2CCCN(Cc3nccn3C)CC2)c1 69876799 YZLTUTGPXPZBRY-UHFFFAOYSA-N 342.443 1.706 0 40 EDAB COC(=O)Nc1ccccc1C(=O)NCCN1C(=O)CSC1=O 69898789 SNTPPLCVIDTJGZ-UHFFFAOYSA-N 337.357 1.290 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)CCOc2ccc(F)cc2Cl)CC1 69849133 WRDZDRCWNSGJAX-GFCCVEGCSA-N 344.814 1.773 0 40 EDAB O=C(C[C@@H]1C(=O)Nc2ncnn21)Nc1cccc(OC(F)(F)F)c1 13725101 JNEZJBMTZITZFM-SECBINFHSA-N 341.249 1.699 0 40 EDAB CCCNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408705117 YKGUVYRECVSINN-LLVKDONJSA-N 342.417 1.139 0 40 EDAB COc1ccsc1C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69922771 YKFBMHYYRYHUTB-CYBMUJFWSA-N 326.462 1.922 0 40 EDAB CCNC(=O)c1ccc(C)c(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 69977117 QWUVOCZASFSLGG-OAHLLOKOSA-N 346.431 1.829 0 40 EDAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 65490504 ZSQRNBLIGYQTHR-MRXNPFEDSA-N 336.457 1.517 0 40 EDAB Cc1noc(C)c1CCC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 65553115 ZCNMCXWJXLDSRG-AWEZNQCLSA-N 347.390 1.824 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccsc2C(=O)OC)C1=O 65565026 AWFSTGDAGBJYLM-AWEZNQCLSA-N 339.373 1.194 0 40 EDAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 5341711 FAGKBCNYZDBABN-CABZTGNLSA-N 326.399 1.111 0 40 EDAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 8774690 HGYRCRMICQKEMR-PPGNKHEKSA-N 349.861 1.759 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NC(=O)c2csc(C)n2)c1 65643684 HWLOIEZRNZWEKL-UHFFFAOYSA-N 342.398 1.587 0 40 EDAB O=C([C@H]1Cc2ccccc2S1)N1CCN(c2ncccn2)CC1 14271088 LTIONFPNDYDNIP-OAHLLOKOSA-N 326.425 1.842 0 40 EDAB CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)[C@H]1C=CCC[C@H]12 4665027 LOAGISHDYLXNHV-GTYSZEQSSA-N 325.364 1.726 0 40 EDAB Cc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)c1 6679541 OVHVSNSAAQFMON-UHFFFAOYSA-N 329.381 1.709 0 40 EDAB O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)NCC2(O)CCC2)C1 96005481 UGXCAEFVABTHSH-AWEZNQCLSA-N 344.477 1.002 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)Cn1cnc2ccccc2c1=O 6880567 ZANZTSMJBDNPHN-AWEZNQCLSA-N 331.372 1.100 0 40 EDAB biogenic C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 5816539 FCITXVYTNGCCJB-NTCAYCPXSA-N 336.351 1.728 0 40 EDAB O=C1CCC(=O)N(c2ccc(C(=O)NC(C3CC3)C3CC3)cc2)N1 67658731 LLXZVHJARUVYNX-UHFFFAOYSA-N 327.384 1.763 0 40 EDAB COC(C)(C)CNC(=O)CCn1c(=S)[nH]c2ccccc2c1=O 80702430 PKXOMHBLWWVULW-UHFFFAOYSA-N 335.429 1.990 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCN(c2ccccc2)CC1 7778940 ZAQYWAFWAHDIQU-UHFFFAOYSA-N 348.406 1.745 0 40 EDAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc2[nH]c(=O)[nH]c2c1 16489243 PXRIOMNGTBOYAU-UHFFFAOYSA-N 338.323 1.793 0 40 EDAB COc1ccc(NC(=O)COc2nnc3ccccn23)c(OC)c1 8224918 YYZXTFAZKGKZJR-UHFFFAOYSA-N 328.328 1.764 0 40 EDAB C[C@H](C(=O)N1CCc2ccccc21)[S@@](=O)Cc1nnnn1C1CC1 71859149 XONWPSCUNSVQON-YDGUKXNOSA-N 345.428 1.235 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C)c2)CC1 71881905 RUSRAGWNZLIHCZ-GUDVDZBRSA-N 346.471 1.640 0 40 EDAB CCc1nnc(CN2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)n1C 71864048 CMMDPLCBMGCXPV-MRXNPFEDSA-N 347.438 1.368 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)Nc2nncs2)C(N)=O)cc1 71826945 NWYULNNOCVZLDX-LLVKDONJSA-N 349.416 1.403 0 40 EDAB O=C1C[C@H](Nc2ncc(Br)cn2)CN1CC(F)(F)F 71915204 VTWPNNZQYVYKSZ-ZETCQYMHSA-N 339.115 1.814 0 40 EDAB C[C@](O)(CNS(=O)(=O)Cc1ccon1)c1ccc(F)cc1F 89901331 IHMPMSPYMAOZMB-ZDUSSCGKSA-N 332.328 1.280 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 97199260 BTTVJNDBGYELPM-KBPBESRZSA-N 332.448 1.623 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(c2ccnc3ccncc23)CC1 72313873 AXJRLNWRYZMSAT-CYBMUJFWSA-N 325.416 1.419 0 40 EDAB COc1ccccc1OCCN1CCO[C@@H](CNc2cccnn2)C1 76049875 UBACNJHNCAOFGD-HNNXBMFYSA-N 344.415 1.677 0 40 EDAB CN(CCNC(=O)NC[C@](C)(O)c1cnn(C)c1)Cc1ccccc1 76021289 FMIPYGYXDWRBAW-SFHVURJKSA-N 345.447 1.059 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 76045864 CPILESXISNOWIG-CYBMUJFWSA-N 332.408 1.334 0 40 EDAB COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(C)CC2)cc1 20098540 MMEHLEYKIAOWSW-KRWDZBQOSA-N 344.463 1.675 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 26754870 NHOTVDJBHGLXIR-LBPRGKRZSA-N 337.850 1.504 0 40 EDAB CC(=O)NCCNC(=O)COC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 84753101 HJDKFHPAVQCSNZ-GHMZBOCLSA-N 338.326 1.151 0 40 EDAB COc1cccc(-n2nc(C)c([C@H]3COCCN3CCO)c2C)c1 95999885 OZOQDUGMQDRTEI-QGZVFWFLSA-N 331.416 1.863 0 40 EDAB C[C@@H](c1cccc(F)c1)N1CCN(S(=O)(=O)c2c[nH]cn2)CC1 95939424 GGKORKHTVCORIJ-LBPRGKRZSA-N 338.408 1.616 0 40 EDAB CNC(=O)[C@H](NC(=O)Nc1cc(C)nn1C)c1ccc(F)c(F)c1 75122342 QKAUYMJJFXVYFK-CYBMUJFWSA-N 337.330 1.616 0 40 EDAB C[C@H](C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1)n1cccn1 75129226 BIGRBOUTNSCEQR-WBVHZDCISA-N 328.416 1.322 0 40 EDAB Cc1ccc(C(=O)NCc2cccnc2N2CCCCC2)c(=O)[nH]1 75124336 KSCVXKPIMIRNIL-UHFFFAOYSA-N 326.400 1.999 0 40 EDAB CC[C@@H](c1nnnn1C(C)(C)C)N1CCN(C(=O)c2ccco2)CC1 20139154 UETHRKPIJZXJBP-ZDUSSCGKSA-N 346.435 1.930 0 40 EDAB CCS(=O)(=O)N(C)CC(=O)Nc1cccc(Br)c1 175675141 AWXRMGZJZZNZJN-UHFFFAOYSA-N 335.223 1.669 0 40 EDAB CCn1cc(S(=O)(=O)Nc2ccc(-n3ccnc3C)nc2)cn1 78556739 YQQWRJNBTVOOKQ-UHFFFAOYSA-N 332.389 1.593 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)Cc1cc(Cl)cc2c1OCC2 542613746 XXTMNUAQYUNYEJ-LLVKDONJSA-N 336.819 1.945 0 40 EDAB CN1CCn2c(nnc2[C@@H]2CCCN2C(=O)COc2ccccc2)C1 72373908 LVERKFVVUOGHJI-HNNXBMFYSA-N 341.415 1.466 0 40 EDAB Cc1occc(=O)c1OCc1noc(C(=O)NCc2ccccc2)n1 32073516 NAWJBOBIQHSPEW-UHFFFAOYSA-N 341.323 1.840 0 40 EDAB CN1C[C@@H](C(=O)Nc2ccc(Cc3nnc4ccccn34)cc2)CC1=O 78881623 KTNSXOVGTFECPZ-AWEZNQCLSA-N 349.394 1.737 0 40 EDAB CC(C)OC(=O)N1CCC(OC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 79037205 MNIMFPKPUCZUKL-LBPRGKRZSA-N 347.433 1.364 0 40 EDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(COC)C(=O)O 218448006 HKTMNCQMPQOEMH-MBNYWOFBSA-N 332.805 1.958 0 40 EDAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC[C@@H]2CCOC2)C1=O 562820077 OBJXESKZJLIHSH-XIKOKIGWSA-N 346.383 1.651 0 40 EDAB Cn1ccnc1[C@H]1CNCCN1C(=O)c1cncc(C(F)(F)F)c1 562979508 CCHIQRGPMMCTRL-GFCCVEGCSA-N 339.321 1.621 0 40 EDAB CCn1cc(NC(=O)c2cc(NC(=O)c3ccco3)n(C)n2)cn1 40745853 MNNPFMQRUVTOID-UHFFFAOYSA-N 328.332 1.734 0 40 EDAB Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccnn2C)ncn1 1064462523 AQRUUQOVPJHGBV-KGLIPLIRSA-N 326.404 1.402 0 40 EDAB CN(C)c1nccc(CNS(=O)(=O)c2ccc(Cl)cc2)n1 224239503 HBTSQLLZQBZKMU-UHFFFAOYSA-N 326.809 1.675 0 40 EDAB O=C1CCCN1CCNC(=S)Nc1ccc(N2CCCC2=O)cc1 225812447 IPYNESKSVPTIQB-UHFFFAOYSA-N 346.456 1.722 0 40 EDAB Cn1cnc(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)n1 329557877 HXEWEFJDKIXPAB-UHFFFAOYSA-N 339.443 1.943 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)c(F)c2)s1 224069824 HLJCJMRTZBGMOL-UHFFFAOYSA-N 348.356 1.966 0 40 EDAB O=C(N1CCC[C@](O)(c2cnn[nH]2)C1)C1(c2ccc(Cl)cc2)CC1 583618972 NTSGMFPBNPIHMC-QGZVFWFLSA-N 346.818 2.000 0 40 EDAB Cc1cncc(C(=O)N2CCn3cc(CN4CCCC4)nc3C2)c1 96197234 LYCQSVVYZNDZNY-UHFFFAOYSA-N 325.416 1.838 0 40 EDAB Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)Cc2ccccc2)cn1 90446946 SRISURQHNJTFCI-MRXNPFEDSA-N 347.440 1.987 0 40 EDAB Cc1occc1C(=O)N1CCC2(CCC(=O)N2CCN(C)C)CC1 96075399 FURDWXRLPDJCFC-UHFFFAOYSA-N 333.432 1.747 0 40 EDAB O=C1CN(C(=O)CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCN1 96491128 LPDDOILUIRMOOX-LBPRGKRZSA-N 347.312 1.367 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1C 96487174 BBVVFVIZVPUWLC-XJKSGUPXSA-N 341.411 1.861 0 40 EDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(C)o3)CC2)O1 96036743 GTWYCSDEUSYZFT-OAHLLOKOSA-N 344.415 1.421 0 40 EDAB CO[C@@H]1C[C@H](N(C)C(=O)NCc2nc3ncccn3n2)C12CCC2 579686366 VCTVEOXKOXGMNZ-NWDGAFQWSA-N 330.392 1.223 0 40 EDAB CC(C)Cn1cnc2nnc3ccc(C(=O)NCCN(C)C)cc3c21 96264308 PBHMMLLGYANARZ-UHFFFAOYSA-N 340.431 1.927 0 40 EDAB C[C@@H](NC(=O)NCCCn1cccn1)c1nnnn1-c1ccccc1 96406822 FPFUYCKPHVNUAC-CYBMUJFWSA-N 340.391 1.309 0 40 EDAB O=C(COc1ccc2c(c1)CCC2)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 583620395 FIPLIDGAIPSLEI-IPMKNSEASA-N 345.439 1.943 0 40 EDAB Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N[C@H](C)Cn1ccnc1 96411193 MWKCXQGSNBQWKE-CJNGLKHVSA-N 339.403 1.167 0 40 EDAB O=C([C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@@H]21)N1CCCC1 96043436 YCSLPMSAGXACIP-KZNAEPCWSA-N 329.444 1.931 0 40 EDAB NC(=O)NC(=O)[C@H](c1ccccc1)N1CCO[C@H](c2nccs2)C1 97199746 FHULDGMOIAGKSO-STQMWFEESA-N 346.412 1.453 0 40 EDAB O=C(C[C@@H]1CN(Cc2nccs2)Cc2ccnn21)N1CCOCC1 247884232 WOSVYOGUUZRYOP-CQSZACIVSA-N 347.444 1.145 0 40 EDAB COC(=O)[C@H](C)CN(C)[C@H]1CCN(c2c(F)cccc2F)C1=O 245289644 DGDOMHAGXOHTKQ-MFKMUULPSA-N 326.343 1.811 0 40 EDAB CN1CC2(CCCCC2)c2cc(C(=O)N(CCO)CCO)ccc21 248024840 LBVGYMQHATZVAL-UHFFFAOYSA-N 332.444 1.765 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 257202624 AMQRQEYCVPVYEJ-AWEZNQCLSA-N 339.355 1.581 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@H](c3cc(O)nc(C)n3)C2)on1 257248873 JFOWWQJDFNDKOM-ZDUSSCGKSA-N 348.359 1.020 0 40 EDAB O=C(N[C@@]1(C(F)(F)F)CCOC1)c1cnc(OCC2CC2)cn1 585084091 KSINOYXZDASIKC-ZDUSSCGKSA-N 331.294 1.717 0 40 EDAB CO[C@](C)(C(=O)N1CC(N2CCN(C)CC2)C1)c1ccccc1F 585085738 JLIHQJSIIXNDHY-SFHVURJKSA-N 335.423 1.146 0 40 EDAB COc1cccc(/C=C/C(=O)N[C@H]2CCN(C[C@H]3CNC(=O)O3)C2)c1 585087810 SWASISDOYVWZMK-HMRWBYCRSA-N 345.399 1.007 0 40 EDAB COC(OC)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 585131297 RACXMPJFAFOCLT-ZIAGYGMSSA-N 340.464 1.739 0 40 EDAB O=C(c1ccc2[nH]nnc2c1)N1CCOC[C@H]1CCc1cnccn1 257314624 UXSXBAFDXLFYCZ-CQSZACIVSA-N 338.371 1.222 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@H](Cc2ccncn2)C1 257263478 LQBPHUCANZAJES-HNNXBMFYSA-N 343.431 1.087 0 40 EDAB CCCn1ccc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)n1 257221204 DNYGSSCGBRBDIT-MRXNPFEDSA-N 343.431 1.968 0 40 EDAB CC(=O)N1CCC[C@@H]1c1nc(C)ncc1CNC(=O)c1ocnc1C 257222063 DRSLBCAJIAQCRR-CQSZACIVSA-N 343.387 1.695 0 40 EDAB CCc1ccc(C(=O)N2CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)cc1 257201695 AIPPFXSCIGMOPW-OALUTQOASA-N 345.487 1.462 0 40 EDAB CS(=O)(=O)Nc1cccc(NC(=O)c2cc3n(n2)CCCO3)c1 90626756 AKTGZLXXUDPRQD-UHFFFAOYSA-N 336.373 1.289 0 40 EDAB NC(=O)C1CCN(c2nnnn2CCCc2cccc(Cl)c2)CC1 1616033334 NRXNJQPQLBVZFB-UHFFFAOYSA-N 348.838 1.661 0 40 EDAB COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cccnc1)OC 96385106 UOLAGHITLITHRA-HNNXBMFYSA-N 329.356 1.533 0 40 EDAB CSCC(=O)N1CC2(CC[C@@H](CN(C)Cc3cccnc3)CO2)C1 575403796 JUMACAVJGAPISV-INIZCTEOSA-N 349.500 1.884 0 40 EDAB COc1nc(CNC(=O)C2(c3ccc(F)cc3)CC2)nc(OC)n1 575604356 XGUFWCBARBDFNL-UHFFFAOYSA-N 332.335 1.376 0 40 EDAB CCN(CC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 575421184 HDQXCMGPTJJCKE-ZDUSSCGKSA-N 341.429 1.396 0 40 EDAB CO[C@@H]1CCN(C(=O)c2cccc3cccnc23)C[C@H]1CC(N)=O 585275568 GUWNPNVMKXGWES-UKRRQHHQSA-N 327.384 1.587 0 40 EDAB COCC(=O)NCC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21 585112374 OHWRHFZNKDNDCF-CQSZACIVSA-N 334.445 1.654 0 40 EDAB CC(C)CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1ccc(F)cc1F 585287985 KRXZRVXSDBFEDJ-LYRGGWFBSA-N 343.370 1.431 0 40 EDAB Cc1ncc(CN2CCOC[C@@](O)(COc3ccccc3)C2)cn1 585269470 VRFXFJBLMBAFJV-GOSISDBHSA-N 329.400 1.427 0 40 EDAB NC(=O)C1(CNC(=O)CCOc2ccc(F)cc2F)CCOCC1 57011318 QEHMZKKYSNWYHN-UHFFFAOYSA-N 342.342 1.132 0 40 EDAB CC(=O)N[C@H](CC(=O)NCc1nnc2n1CCC2)c1ccc(C)cc1 54905715 JXEHRGJDLCZSIQ-OAHLLOKOSA-N 341.415 1.416 0 40 EDAB CC(C)N1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 58283527 GKBCGAXLEBQRSO-HZPDHXFCSA-N 329.444 1.886 0 40 EDAB COC(=O)c1cn([C@@H]2CCCC[C@H]2OC(=O)c2cnn(C)c2)nn1 58265302 FLHVKGHIHXHILI-CHWSQXEVSA-N 333.348 1.139 0 40 EDAB Cn1cc(NC(=O)CCCOc2ccc(S(C)(=O)=O)cc2)cn1 58289383 VGHLSQVTCSMXGI-UHFFFAOYSA-N 337.401 1.621 0 40 EDAB COc1ccc(Cl)cc1NCCC(=O)N1CCC[C@H](C(N)=O)C1 69513591 PZSOZOQGFXEERX-NSHDSACASA-N 339.823 1.875 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN[C@H]1CCc2ncnn2C1 69702769 DATLNWQMLVOWFN-AWEZNQCLSA-N 341.415 1.171 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C/c1nccs1 69814216 VMERJQHAZNBIIZ-YBJDMEARSA-N 336.461 1.215 0 40 EDAB O=C(N[C@@H]1CCSc2c(F)cccc21)N1CCS(=O)(=O)CC1 71803920 UEPZAIIRMPTHDI-GFCCVEGCSA-N 344.433 1.803 0 40 EDAB Cc1[nH]c2ccc(C(=O)NCCN3CCCS3(=O)=O)cc2c1C 95392564 JVKGFHOPCZGPCF-UHFFFAOYSA-N 335.429 1.550 0 40 EDAB CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 96025315 OPPVCVZRHQOWLS-OAHLLOKOSA-N 343.470 1.373 0 40 EDAB Cc1cc(C)c2c(OCC(=O)N3CCN(C)C(C)(C)C3)nn(C)c2n1 1615582695 GRUHYPCWLVEUCA-UHFFFAOYSA-N 345.447 1.517 0 40 EDAB C[C@H]1CCC[C@]1(NS(=O)(=O)c1ccc(C(=O)O)c(F)c1)C(=O)O 1615588021 NJVRFDJBHBPWFO-RMLUDKJBSA-N 345.348 1.446 0 40 EDAB Cc1csc(CN(C[C@H]2CCCO2)C(=O)c2cnnc(O)c2)n1 1615557227 QFHFXVCEDXZFBN-GFCCVEGCSA-N 334.401 1.769 0 40 EDAB CCc1nn(CC(=O)NCC2CC2)c(=O)c2cc3oc(C)cc3n12 12115542 XBPUSIPWXLDYHO-UHFFFAOYSA-N 328.372 1.639 0 40 EDAB Cc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3C(F)(F)F)c2n1 12146476 HIKMTIMPFFYUBK-UHFFFAOYSA-N 337.261 1.535 0 40 EDAB COc1cc(NS(=O)(=O)N(C)C)ccc1NC(=O)c1ccco1 12413966 GVMNSMLLTBCSKD-UHFFFAOYSA-N 339.373 1.759 0 40 EDAB Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16041937 XIHARTMDURTZRT-UONOGXRCSA-N 340.379 1.678 0 40 EDAB Cc1cc2nc([C@@H](NC(=O)c3ccnn3C)C(C)C)cc(O)n2n1 19129524 PTOGVUDUFWZZAY-HNNXBMFYSA-N 328.376 1.604 0 40 EDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CCn2cnnn2)c1 19551295 JMSLLFUFBGOXKL-CQSZACIVSA-N 331.376 1.444 0 40 EDAB CN(C)S(=O)(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206791878 DFXZLBUZGZMTLT-SNVBAGLBSA-N 338.355 1.075 0 40 EDAB CCOC(=O)[C@@H]1CCCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)C1 2961225 ASNTZFZKDCGZEB-CYBMUJFWSA-N 349.431 1.821 0 40 EDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)N[C@@H]1CCCc2ccccc21 11233411 CZYKDTYJBHFVRW-BXKDBHETSA-N 344.444 1.710 0 40 EDAB c1cnn(-c2ccc(N3CCN(c4ccnc(C5CC5)n4)CC3)nn2)c1 1888899268 BCANVSKQUGFAHT-UHFFFAOYSA-N 348.414 1.656 0 40 EDAB CCOC(=O)C1=C(CN(CC)CCO)NC(=O)N[C@H]1c1ccccc1 24672615 OTEZFVIOCPRQAW-INIZCTEOSA-N 347.415 1.172 0 40 EDAB Cn1cnc2c(NCC3CCN([C@H]4CCSC4)CC3)ncnc21 1776001233 GSPNPNDWALSGNR-ZDUSSCGKSA-N 332.477 1.993 0 40 EDAB CN(C)CC(=O)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 2037841199 ZWCVXMSIVLWZMD-LJQANCHMSA-N 345.443 1.363 0 40 EDAB COc1cc([C@@H]2CC(=O)Nc3c2c(=O)nc2sccn32)ccc1O 4776705 LHKPRESXEXWEBY-VIFPVBQESA-N 343.364 1.944 0 40 EDAB COC1CCN(C2CN(S(=O)(=O)c3ccc(F)c(F)c3)C2)CC1 575610926 PJWSOBIBPSGFKY-UHFFFAOYSA-N 346.399 1.449 0 40 EDAB Cn1ccc2ccn(CCNC(=O)c3nn(C)c4ccccc34)c(=O)c21 575617835 RNCCFYZZDRAYQP-UHFFFAOYSA-N 349.394 1.657 0 40 EDAB COc1ccc(CC(=O)N2CC[C@@H](Oc3ncccn3)C2)cc1OC 575610742 OVZOMYFHEUEFMO-CQSZACIVSA-N 343.383 1.716 0 40 EDAB CCc1nnc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)s1 30604770 RYGVWCYXAQNCME-NSHDSACASA-N 344.400 1.159 0 40 EDAB Cc1ccc(-c2noc(CN3CCN([C@H](C)C(N)=O)CC3)n2)cc1 40487752 VGKIQKMCBRQMLX-CYBMUJFWSA-N 329.404 1.036 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1cccc(N2CCCC2=O)c1 40489873 YZVADPGHHVKNOO-UHFFFAOYSA-N 325.372 1.281 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)c2cccnc12 40494421 WLECQYYXUXPZRZ-CYBMUJFWSA-N 333.413 1.572 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)NCc1cccnc1-n1cccn1 40525113 SKMDGBKCIMYHOC-JTQLQIEISA-N 328.294 1.851 0 40 EDAB O=C(Cn1cccn1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 40509214 SJFPZDKWRRIGQV-INIZCTEOSA-N 348.834 1.726 0 40 EDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@H](C)C1 40540278 UZCQOPINFTWGEQ-NHYWBVRUSA-N 333.367 1.152 0 40 EDAB COCc1nnc(NC(=O)CN2CC(=O)Oc3ccc(C)cc32)s1 31847006 VXUYEERSRXJWES-UHFFFAOYSA-N 348.384 1.357 0 40 EDAB COc1ccccc1C(=O)NC[C@]1(N2CCOCC2)CCSC1 31941715 VQKKVXUQZYMYMB-QGZVFWFLSA-N 336.457 1.633 0 40 EDAB Cn1c(C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 32095355 SGMAINUURVOWTH-UHFFFAOYSA-N 337.335 1.592 0 40 EDAB Nn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O 11519097 CJVSTFJRRNAXCZ-UHFFFAOYSA-N 326.381 1.841 0 40 EDAB CN1CCN(c2cc(CNC(=O)Nc3ccccn3)ccn2)CC1 45845902 VCUAPXLDBGZXCH-UHFFFAOYSA-N 326.404 1.550 0 40 EDAB COCCOc1cccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)c1 69653779 RYGGTSLQTMBTGB-KRWDZBQOSA-N 340.379 1.769 0 40 EDAB O=c1ccccn1CCCNS(=O)(=O)c1cc(F)c(F)cc1F 69631687 IVGGPAXEARQWJJ-UHFFFAOYSA-N 346.330 1.634 0 40 EDAB O=C(CN1C(=O)CCOc2ccccc21)NCCc1cccnc1 32348968 DMRFFCHWQDYSNO-UHFFFAOYSA-N 325.368 1.556 0 40 EDAB Cc1nc(NC(=O)c2ccnn2C(F)F)sc1C(=O)N(C)C 2780839 OKMQDSCOGMBWKN-UHFFFAOYSA-N 329.332 1.997 0 40 EDAB CCCC(=O)OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 3790736 QCOXYZFUHMUEIC-FYGCWZCISA-N 330.377 1.726 0 40 EDAB biogenic CC1CCN(S(=O)(=O)NCc2ccccc2Cn2cccn2)CC1 32759416 BDJKSNCOCIREJP-UHFFFAOYSA-N 348.472 1.998 0 40 EDAB CCCC(=O)OC[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]12 4855103 QCOXYZFUHMUEIC-BQQXIIOZSA-N 330.377 1.726 0 40 EDAB CCOC(=O)C1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 6497413 IOICWCMOXPQAPE-UHFFFAOYSA-N 334.372 1.629 0 40 EDAB COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 2662512 HPJLWGRHEKBOKR-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB Cn1ccnc1SCCNC(=O)[C@H]1Cc2ccccc2C(=O)O1 32850726 RGLDYHWFHUNUTG-CYBMUJFWSA-N 331.397 1.410 0 40 EDAB CC(C)(C)C(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 21623554 QOQAVDBQUCOYOH-SECBINFHSA-N 332.447 1.754 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cn1 32904055 YVADFXAEPCBTQL-UHFFFAOYSA-N 339.442 1.632 0 40 EDAB Cc1cc(C)nc(SCC(=O)Nc2ccccc2CC(N)=O)n1 32932445 JGCXVBPMUDBHSE-UHFFFAOYSA-N 330.413 1.852 0 40 EDAB CCOC(=O)c1n[nH]c2c(-c3ccccc3)c(COC)nn2c1=N 102740635 BAOFDHVTJNPHPC-UHFFFAOYSA-N 327.344 1.527 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)[C@@H](C)n2cccn2)CC1 69778638 SRJNAWAOFDACOD-OAHLLOKOSA-N 330.436 1.395 0 40 EDAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 33089852 HPTJJJTXPJIQIQ-UHFFFAOYSA-N 345.424 1.537 0 40 EDAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC(CO)CC1 52819971 SWZNNYVFSUHHQP-LBPRGKRZSA-N 328.420 1.963 0 40 EDAB CCOCCS(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 69737951 VJWUTIKAXDCZOD-UHFFFAOYSA-N 325.430 1.874 0 40 EDAB NC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 102956005 ZVMDLEBDGMNXPD-OKILXGFUSA-N 343.383 1.289 0 40 EDAB Cn1nnc(NC(=S)NC(=O)c2cccc(Br)c2)n1 531044 DZJUFOBFMYNBDB-UHFFFAOYSA-N 341.194 1.099 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(F)cc2)cc1 9459922 CGOGUNGWACLITC-UHFFFAOYSA-N 337.376 1.837 0 40 EDAB COc1ccc(S(=O)(=O)NCCN2C[C@@H](C)O[C@H](C)C2)cc1F 42005138 DYLOPAXXNWWEGF-VXGBXAGGSA-N 346.424 1.222 0 40 EDAB CCCn1c(SCC(=O)c2ccc(OC)c(OC)c2)n[nH]c1=O 9740940 KSXUHBUBTPJQJW-UHFFFAOYSA-N 337.401 1.974 0 40 EDAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1S(C)(=O)=O 9748199 CTBAVPFVATYQOO-NSHDSACASA-N 332.809 1.711 0 40 EDAB Cc1nc(CN2CCN(S(=O)(=O)N3CCCCC3)CC2)cs1 22844294 LMWSBSUWBBENTL-UHFFFAOYSA-N 344.506 1.300 0 40 EDAB CCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 61070465 LPSGJWJHUAAMTP-UHFFFAOYSA-N 332.372 1.598 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 103066445 OYVRKKJNWWJESF-GASCZTMLSA-N 341.367 1.535 0 40 EDAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)[nH]1 23452987 HGGIROZNLNAXMT-CHWSQXEVSA-N 344.367 1.309 0 40 EDAB COC(=O)c1cc(Oc2ncnc3c2cnn3C)cc(C(=O)OC)c1 12485321 UGQWGXFQUWBVTC-UHFFFAOYSA-N 342.311 1.729 0 40 EDAB CCN(CC)C(=O)CSc1nc(O)cc(=O)n1-c1ccccc1 59202922 UAOWZSSOCQJBJP-UHFFFAOYSA-N 333.413 1.899 0 40 EDAB CCN(C(=O)NC[C@H]1CCCCN1CC)[C@@H](C)CS(C)(=O)=O 75611062 QNQFTZKYIDWHSS-UONOGXRCSA-N 333.498 1.325 0 40 EDAB CN(CCCN1CCOCC1)[C@@H]1CCN(c2ccccc2F)C1=O 75740690 MWEWUPOYLCYPNV-QGZVFWFLSA-N 335.423 1.585 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12 24603547 XYSMHKFGEGZPJD-INIZCTEOSA-N 349.456 1.641 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cn2ccccc2=O)o1 24728784 VFGAFKFDIGHQNS-CQSZACIVSA-N 346.383 1.807 0 40 EDAB O=C(NC1CCCCC1)c1nnc2ccc(N3CCOCC3)cc2n1 57280150 GANJRTUQRJNWSW-UHFFFAOYSA-N 341.415 1.924 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCCn2cccn2)[C@H]1c1ccccc1F 57354935 PYRNHARXWHKXJP-RHSMWYFYSA-N 344.390 1.748 0 40 EDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CC(=O)N1CCOc2ccccc21 25312245 TYDQTVRCBYYYBT-BETUJISGSA-N 328.368 1.587 0 40 EDAB COC[C@H](C)NC(=S)N1CCN(CCn2c(C)ccc2C)CC1 25436785 ABWYAAWMVXBXQG-AWEZNQCLSA-N 338.521 1.632 0 40 EDAB CCC[C@]1(C)NC(=O)N(C[C@H](O)COc2cccc(C(C)=O)c2)C1=O 51373673 VZTVCCJUUDLYGZ-KSSFIOAISA-N 348.399 1.740 0 40 EDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 107312817 KBNUANSVSDABTD-AALSBFMBSA-N 330.428 1.880 0 40 EDAB COc1cc2c(cc1OC)CCN(c1ncnc3c1cnn3C)CC2 57150260 QJXZHGMFUABWLA-UHFFFAOYSA-N 339.399 1.986 0 40 EDAB Cc1cc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)n(C)n1 12522074 CRCJLRQRVVKOKR-UHFFFAOYSA-N 341.400 1.983 0 40 EDAB Cc1cc(=O)oc2c3c(ccc12)OCN([C@H]1CCS(=O)(=O)C1)C3 61966147 BSQDUFVTEQGEKW-NSHDSACASA-N 335.381 1.440 0 40 EDAB O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cncc(F)c1 108460704 JTALTBMNALZOEH-YJBOKZPZSA-N 343.402 1.834 0 40 EDAB C[C@H]1COCCN1C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 44492611 BYUSNCAUCRHBKW-LBPRGKRZSA-N 333.363 1.551 0 40 EDAB O=C([C@H]1CCCN1Cc1cn2cccnc2n1)N1CCSCC1 109064273 UOVGUHUUFACCBO-CQSZACIVSA-N 331.445 1.269 0 40 EDAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCc2ccccc2C1 103036474 XGLZMPFMOLQYNF-IAGOWNOFSA-N 338.407 1.913 0 40 EDAB COc1ccc(-c2nc(CN3CCNC(=O)C3)cs2)c(OC)c1 58028981 YMKGZSMKQIFRQP-UHFFFAOYSA-N 333.413 1.759 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CN(C)C(=O)c2ccccn2)c1 44754066 DLXNQOYQKCZUEM-UHFFFAOYSA-N 326.356 1.751 0 40 EDAB Cc1cc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)sc1C 44916299 ZFGPNPQDKJHDME-CABCVRRESA-N 338.473 1.832 0 40 EDAB CCCNC(=O)[C@H](C)S(=O)(=O)Cc1cc(C(C)=O)ccc1OC 44909242 RGZNEMWRQYLHMT-LBPRGKRZSA-N 341.429 1.727 0 40 EDAB Cc1noc([C@H](C)NC(=O)c2cccc(CN3CCCC3=O)c2)n1 58311281 GPDFOLKPKBIKTD-NSHDSACASA-N 328.372 1.991 0 40 EDAB C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1cccn1 45053954 HCIHKZJELNUENW-AWEZNQCLSA-N 342.399 1.517 0 40 EDAB CC[C@@H](CO)NC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CCC4 2232411 XJYFKSMYOXOAEQ-VIFPVBQESA-N 345.428 1.637 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)on1 58597992 GKGVWRNXGPMOGR-NQBHXWOUSA-N 328.434 1.791 0 40 EDAB Cc1nc(CNC(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cs1 45343506 MEENAIUTFBHBDJ-QJPTWQEYSA-N 326.466 1.748 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)NCc3cc[nH]n3)cn2)C[C@H](C)O1 48261191 IUOOAFJFDNZHFE-STQMWFEESA-N 344.419 1.418 0 40 EDAB CN(C)C(=O)Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 48383451 CUSVJBCHXQUODK-LSDHHAIUSA-N 330.384 1.923 0 40 EDAB COCCN(Cc1cc(=O)n2nc(C)sc2n1)Cc1ccco1 48355894 QRJOJWFZADXXFM-UHFFFAOYSA-N 334.401 1.701 0 40 EDAB COc1ccc([C@H](NC(=O)CN2CCN(C(C)=O)CC2)C(C)C)cc1 12860032 QMXIEJTZPYDHDF-LJQANCHMSA-N 347.459 1.673 0 40 EDAB O=C(NC1CCCCC1)NC1CCN(C[C@H](O)Cn2cccn2)CC1 69844365 NVKICDPLWASNGX-KRWDZBQOSA-N 349.479 1.340 0 40 EDAB COc1cc(C)c(S(=O)(=O)CC(=O)N(C)C2CC2)cc1OC 69884986 XOTFOKOZAKJTIF-UHFFFAOYSA-N 327.402 1.407 0 40 EDAB Cc1nc(COC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)no1 69870219 UJIVZGUDPHHFKY-ZDUSSCGKSA-N 331.328 1.853 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 69818771 JBWIBDVSIPGMJQ-ZDUSSCGKSA-N 348.403 1.177 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 69923848 HGUPLIREBBDQNS-HOTGVXAUSA-N 335.448 1.964 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 69980825 RNDYVJPLGBHVRA-GFCCVEGCSA-N 346.349 1.653 0 40 EDAB O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccc2c(c1)OCCO2 4223170 YZHAPWLGJMKRMX-MJBXVCDLSA-N 345.399 1.186 0 40 EDAB O=C(NCCCn1cncn1)c1cccc(OC[C@H]2CCCO2)c1 65393092 YTBJYLDHPFSVLR-MRXNPFEDSA-N 330.388 1.656 0 40 EDAB O=C(NC[C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)o1 65414208 DVNUSCORCRLIKP-CYBMUJFWSA-N 341.839 1.317 0 40 EDAB CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 9377989 NXTRJBFBXIWJMY-UHFFFAOYSA-N 334.800 1.722 0 40 EDAB CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1 65553836 AZTKHPCNVAHYSQ-GWCFXTLKSA-N 346.449 1.804 0 40 EDAB CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1 65550011 YNRKSYPTJGCPPQ-ZWNOBZJWSA-N 346.449 1.804 0 40 EDAB CCN(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(F)cc1 4511240 UUDVIIPWCISASW-CYBMUJFWSA-N 344.408 1.132 0 40 EDAB C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 65606479 ACSSJGDXYHMNRE-VIFPVBQESA-N 336.866 1.938 0 40 EDAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)OCC(=O)Nc1cc(F)ccc1C 6607074 OUAWTEDISBSMNC-OTYXRUKQSA-N 339.367 1.699 0 40 EDAB N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 28631632 FSXRLASFHBWESK-JKSUJKDBSA-N 328.368 1.074 0 40 EDAB endogenous,in-man COc1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1OC 9458100 SASQQNXDUDBIGA-QGZVFWFLSA-N 347.371 1.363 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)c3cccc(C(N)=O)c3)C2)no1 67940468 CYRYRFBORARSSD-CYBMUJFWSA-N 328.372 1.751 0 40 EDAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)n[nH]2)c(O)c1C 15974271 MPXMBRTTWHPIFJ-LLVKDONJSA-N 349.412 1.316 0 40 EDAB COCCNC(=O)NC(=O)CSc1ccc2c(c1)OCCO2 7699012 RCPAEJVUIBVJLL-UHFFFAOYSA-N 326.374 1.022 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)C[C@@H](NC(N)=O)c2cccs2)cn1 71796856 BPPTUTDOWQNRIZ-CHWSQXEVSA-N 347.444 1.945 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCCC[C@@H]1Cn1nc(C)cc1C 70011495 QWCMEYYKRMDSOS-IAGOWNOFSA-N 332.448 1.892 0 40 EDAB CC(C)c1cc(C(=O)N2CCN(C[C@H](C)O)CC2)nn1C(C)(C)C 70039968 HNOGKLCTVFCFCN-AWEZNQCLSA-N 336.480 1.900 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)n1 69349863 XNYCOCUFCAKULW-OFQRWUPVSA-N 349.479 1.752 0 40 EDAB COc1ccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 69457045 RUGQUEGURJWERL-INIZCTEOSA-N 333.432 1.368 0 40 EDAB COCCCN1CCC(NC(=O)Cc2noc3ccccc23)CC1 69420325 CQPKBCJYNHRGJH-UHFFFAOYSA-N 331.416 1.987 0 40 EDAB C[C@H]1CN(CC(=O)N(C)c2nccs2)CCN1Cc1nccn1C 69453990 IIOHHCISSFUEMJ-ZDUSSCGKSA-N 348.476 1.046 0 40 EDAB CCOc1c(OC)cc(CN[C@H]2CCS(=O)(=O)C2)cc1OC 69492645 OVZPHRGWCLQPEC-LBPRGKRZSA-N 329.418 1.379 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(OCC(N)=O)c1 69536234 HQBMSEUIKZMKDX-HOTGVXAUSA-N 331.416 1.250 0 40 EDAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(S(C)(=O)=O)[nH]1 69557380 LTHYWWIXSZMZAA-SSDOTTSWSA-N 344.780 1.268 0 40 EDAB CCNC(=O)Cc1ccc(NC(=O)N[C@@H](C)c2nc(C)no2)cc1 69567842 LOEMWNBKSVPXBM-JTQLQIEISA-N 331.376 1.939 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNC(=O)c2sccc2S(C)(=O)=O)C1 69530296 PFGJHYCCBVTUIQ-TXEJJXNPSA-N 344.502 1.859 0 40 EDAB Cn1cnc2c1CCN(CCCOc1ccc(S(C)(=O)=O)cc1)C2 69528286 MZZLNOXYWUKYNW-UHFFFAOYSA-N 349.456 1.651 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)NCc1ccccc1 9514080 UIWWTGSHZDPYPN-OAHLLOKOSA-N 334.416 1.787 0 40 EDAB COC(=O)C[C@@H](C)NC(=O)c1nc(N2CCCC2)ncc1Cl 71853839 JQZRHDKPOGEULE-SECBINFHSA-N 326.784 1.412 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 71841476 DJEWVHJCCPDNTO-KCXAZCMYSA-N 344.390 1.123 0 40 EDAB CCN(CC)CCC[C@H](C)NC(=O)CCNC(=O)c1ccncc1 71844414 ITIIRRWFQOZDOW-HNNXBMFYSA-N 334.464 1.828 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@H]2Cn2cc(C)cn2)ccc1=O 71869862 LXIPSSQSONWCIJ-INIZCTEOSA-N 344.415 1.304 0 40 EDAB Cc1ccc(-n2nc(C(=O)N3CCNC(=O)CC3)c3c2CCC3)cc1 71839536 XJPRYVKUCHEUGB-UHFFFAOYSA-N 338.411 1.632 0 40 EDAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCn2c(nnc2C2CC2)C1 78787916 BQOKNAOYHROVFZ-ZDUSSCGKSA-N 337.427 1.949 0 40 EDAB CCCc1nc([C@@H]2CN(C(=O)[C@H]3CCCCN3CCC)CCO2)n[nH]1 78890205 DVLFRVGBSOECRR-CABCVRRESA-N 349.479 1.922 0 40 EDAB Cc1cc(NC(=O)CN(C)[C@@H]2CCCN(Cc3noc(C)n3)C2)on1 72234567 VSCKUCNPZQYVMS-CYBMUJFWSA-N 348.407 1.209 0 40 EDAB COC(=O)[C@H](NC(=O)c1cc(C)n[nH]1)c1ccc(OC)c(OC)c1 72297622 GBPAHHCFKQDLBG-CQSZACIVSA-N 333.344 1.379 0 40 EDAB CCc1csc([C@H]2CCCN(C(=O)CN3CCCNC3=O)C2)n1 72282277 NYFQSOCCWOLZIK-LBPRGKRZSA-N 336.461 1.827 0 40 EDAB CCc1nc([C@@H]2CCCN2[C@@H]2CCN(CC(F)(F)F)C2=O)no1 72277660 GSYSRQDLWAUDNS-VHSXEESVSA-N 332.326 1.932 0 40 EDAB CCS(=O)(=O)CCn1ccc(NC(=O)Cc2cccc(F)c2)n1 78845587 RQEDWAUFJJICQK-UHFFFAOYSA-N 339.392 1.638 0 40 EDAB NC(=O)c1cc(Cl)nnc1N1CCc2[nH]nc(C(F)(F)F)c2C1 97212765 JVCJWEJLXCYWMZ-UHFFFAOYSA-N 346.700 1.534 0 40 EDAB C[C@@H](c1ccsc1)N1CCN(C(=O)NCCC(=O)N(C)C)CC1 97378437 CLCXLXBLMRTNRO-ZDUSSCGKSA-N 338.477 1.615 0 40 EDAB C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)CNC(=O)c1ccccn1 95399712 CSDUYVAAFLVOAG-AWEZNQCLSA-N 340.427 1.625 0 40 EDAB CN(CCCN1C(=O)NC(C)(C)C1=O)[C@@H]1CCCc2c1cnn2C 95432455 IKBYIUMYNJAYFS-CYBMUJFWSA-N 333.436 1.450 0 40 EDAB CCN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3nnc(C4CC4)o3)C2)C1=O 95402627 ZXMFEXAFQXYXNS-SJCJKPOMSA-N 347.419 1.489 0 40 EDAB C[C@@H](C(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1)n1cccn1 95965347 LBBGHVPGVFQCSL-HOCLYGCPSA-N 327.384 1.945 0 40 EDAB CC(C)c1nsc(N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)n1 95983362 XLRSVNGAYPVHRK-LBPRGKRZSA-N 344.506 1.407 0 40 EDAB C[C@@H]1CN(C(=O)Nc2cccc(OC(F)F)c2)C[C@H](C(N)=O)O1 95965902 GDFDUBUELQTGQY-LDYMZIIASA-N 329.303 1.395 0 40 EDAB CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C)c1cccc(C)c1 88774674 QSDMLEIZWDXNOZ-UHFFFAOYSA-N 348.490 1.089 0 40 EDAB CNS(=O)(=O)CCCN(C)[C@@H]1CCCN(c2ccccc2)C1 89392264 MULNNMGGGAMRHP-MRXNPFEDSA-N 325.478 1.527 0 40 EDAB COc1ccc(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)c(C)c1C 89505536 MHPSNGHFBGPQFS-UHFFFAOYSA-N 340.445 1.731 0 40 EDAB c1ccc(-n2ncc(CNC[C@H]3CCCN3c3cccnn3)n2)cc1 75128932 DYEORDLEODICKX-QGZVFWFLSA-N 335.415 1.816 0 40 EDAB O=C(CCCOc1ccccc1Cl)NCc1c[nH]c(=O)[nH]c1=O 75148142 KQUNFXOQLQMVPH-UHFFFAOYSA-N 337.763 1.192 0 40 EDAB O=C(Cc1cccc(I)c1)NCC1(CO)CC1 89779420 AGCARMHLNXXXNS-UHFFFAOYSA-N 345.180 1.722 0 40 EDAB O=C(NCC(=O)N1CCCC[C@H]1C(=O)O)c1cc2ccccc2[nH]1 89872986 OYAHMYUPEHNLGF-AWEZNQCLSA-N 329.356 1.363 0 40 EDAB NS(=O)(=O)Cc1ccc(CNc2cncc(-n3cccn3)n2)cc1 89885067 VQZYQGAIISXGAQ-UHFFFAOYSA-N 344.400 1.063 0 40 EDAB CC(C)CN1C[C@@H]2[C@H](C1)[C@@H](NC(=O)c1ccco1)CCS2(=O)=O 306141919 WJZGSAZEZLYNTM-VNHYZAJKSA-N 340.445 1.153 0 40 EDAB Cc1nn(CC(=O)Nc2cnn(C)c2C)c(C)c1Br 28574996 PJHJDYPLXKGAAE-UHFFFAOYSA-N 326.198 1.943 0 40 EDAB CN1N=C(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)CCC1=O 21904551 DMWGCTYFVVJKEF-CYBMUJFWSA-N 342.399 1.472 0 40 EDAB Cc1ccc(-c2c[nH]cc2C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)s1 548634197 VVTPEUMXQBCVGP-LBPRGKRZSA-N 344.396 1.428 0 40 EDAB O=C(CCCn1nnc2ccccc2c1=O)NCCc1ccncc1 31818059 WLGZAZUGYKKYEI-UHFFFAOYSA-N 337.383 1.326 0 40 EDAB CN1CCNC(=O)[C@H]1CC(=O)NC(C)(C)C12CC3CC(CC(C3)C1)C2 39354766 FNGQFDBFEHMTJB-FYMRZPMTSA-N 347.503 1.918 0 40 EDAB O=C(c1ccc(Cl)cc1)N(CCCO)[C@H]1CCS(=O)(=O)C1 217372275 XJOCOIREZITFLI-ZDUSSCGKSA-N 331.821 1.352 0 40 EDAB CN1CCC[C@@H](c2ccnc(C(=O)N3CCC(C(N)=O)CC3)c2)C1 72387218 DLFXPHBDWDRDIG-OAHLLOKOSA-N 330.432 1.228 0 40 EDAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC 217420153 WOWTVSSKHWNOQS-UHFFFAOYSA-N 344.433 1.912 0 40 EDAB COCCNc1cc([C@H]2CCN2C(=O)c2cnccn2)nc(C)n1 72387544 CWSANOWMHCUNTC-CQSZACIVSA-N 328.376 1.221 0 40 EDAB CCCCCNS(=O)(=O)c1ccc(NCCO)c(C(=O)O)c1 217649056 GPYOLLKAVAQKDN-UHFFFAOYSA-N 330.406 1.258 0 40 EDAB O=C(Cn1cncn1)NCC1CCN(Cc2ccccc2Cl)CC1 78610621 FDIGWLSVQMPWSY-UHFFFAOYSA-N 347.850 1.960 0 40 EDAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 218361176 ALTLFUHJDWQDSJ-DLBZAZTESA-N 330.453 1.839 0 40 EDAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)CN)n1 72360898 SSQMAYNQDKKQIG-GFCCVEGCSA-N 332.433 1.916 0 40 EDAB CN(CCN1C(=O)CNC1=O)C1CCN(c2ccc(F)cc2)CC1 72666647 FPQFQFNDPKYBOB-UHFFFAOYSA-N 334.395 1.278 0 40 EDAB Cn1cc(C(=O)N2CCC[C@H](c3cccc(CCC(N)=O)n3)C2)cn1 72360535 XOPDERIAEQMVGG-ZDUSSCGKSA-N 341.415 1.253 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 78602770 NGNZNSOQIZUKJP-QGZVFWFLSA-N 345.443 1.341 0 40 EDAB CCOc1cccc(CCNS(=O)(=O)CCC2CCOCC2)n1 521394267 KCSIJUBGXJSQBS-UHFFFAOYSA-N 342.461 1.759 0 40 EDAB COc1ccccc1CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCCO1 223412564 CWUDFMHMQQDLOT-CABCVRRESA-N 332.400 1.481 0 40 EDAB COc1cc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc2c1OCO2 85876673 CBIJSRALKPIMDJ-JTQLQIEISA-N 329.308 1.862 0 40 EDAB biogenic O=C(CN1CCCC1=O)NCCSc1nc(-c2ccccc2)n[nH]1 225885348 ILOVZBAMUTVRGC-UHFFFAOYSA-N 345.428 1.302 0 40 EDAB COc1nn(C)cc1C(=O)NCC1CCN(c2ccccn2)CC1 43975549 SWLIHZSICABYTQ-UHFFFAOYSA-N 329.404 1.470 0 40 EDAB Cn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2sccc21 40786373 YBBKORZTQGXTOZ-UHFFFAOYSA-N 327.413 1.992 0 40 EDAB COc1ccccc1OCc1cn(CC(=O)NC[C@H]2CCCO2)nn1 227160713 XUADRFWATDTVAC-CQSZACIVSA-N 346.387 1.161 0 40 EDAB NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCO[C@H](c2nccs2)C1 97199747 FHULDGMOIAGKSO-QWHCGFSZSA-N 346.412 1.453 0 40 EDAB O=C1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)N1CCN1CCOCC1 96110746 PFELCYRCPSSCNL-IAGOWNOFSA-N 349.500 1.646 0 40 EDAB CN(C)CC(=O)N1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 96239061 BXAMAUZJLUACPG-KRWDZBQOSA-N 337.370 1.482 0 40 EDAB O=C(NCc1ccco1)[C@H]1COC[C@H]2CN(Cc3ccncc3)C[C@H]21 96040758 RHCPQPFHMQARLB-NXHRZFHOSA-N 341.411 1.685 0 40 EDAB Cc1cccc(CN2C[C@H]3OCC[C@H]3[C@H](C(=O)NC3CCC3)C2)n1 96038879 VFNZKWUCNUVWRK-RCCFBDPRSA-N 329.444 1.896 0 40 EDAB O=C(Cc1ccccn1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072502 RVPOXTOJXJRTMI-MJGOQNOKSA-N 339.395 1.858 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 96219827 CUKMEJGCJFECBT-CXAGYDPISA-N 327.388 1.315 0 40 EDAB CCC(CC)n1nc(C(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)cc1C 583619041 ZGTDPZGPDOBVPU-QGZVFWFLSA-N 346.435 1.795 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)CCc1cc(F)ccc1Br 97372423 FDEOZJNOALMHMF-VIFPVBQESA-N 343.196 1.868 0 40 EDAB NC(=O)c1ccc(N2CCN(C[C@H](O)c3ccccc3)CC2)cc1 96410353 DNYCRCJEWGDTOT-SFHVURJKSA-N 325.412 1.641 0 40 EDAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCCc1ccco1 95479614 UCYWABFGDOHGHP-UHFFFAOYSA-N 329.331 1.796 0 40 EDAB C[C@@H]1CN=C(N2CCN(Cc3nc(-c4ccco4)no3)CC2)S1 96449192 ZCNVLVHKJLNVSN-LLVKDONJSA-N 333.417 1.939 0 40 EDAB O=C1NC(=O)[C@@H](Cc2ccc(NC(=O)c3cc(Cl)ccn3)cc2)N1 91701096 SMSICJCTJBNPQM-CYBMUJFWSA-N 344.758 1.738 0 40 EDAB CC(C)NC(=O)N1CCOC[C@]2(C[C@@H](CNc3ccccn3)CO2)C1 96240473 QXEBQERSMXHXLR-YJBOKZPZSA-N 348.447 1.719 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)Nc2c[nH]nc2-c2nccs2)C1 333738818 QUZNOAFAWFSIHQ-JTQLQIEISA-N 334.405 1.666 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccco2)C1 96057715 FJOQACDVRDTZFN-JGGQBBKZSA-N 344.367 1.809 0 40 EDAB Cn1ccnc1CN1CC[C@H]2CO[C@H](CNc3ncccn3)[C@H]2C1 96185523 UUUHBQNFSLTKBI-SOUVJXGZSA-N 328.420 1.159 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ncccn3)CCO2)n1 257300651 RVENEAFDKRPYSY-OAHLLOKOSA-N 327.388 1.460 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2cccc(-c3ccnn3C)n2)C1 257230903 GELMFUHJYINNLY-ZDUSSCGKSA-N 349.460 1.153 0 40 EDAB CCS(=O)(=O)N1Cc2ccnn2[C@@H](COc2ncccc2F)C1 253491836 NYMLGXIWISKHOT-GFCCVEGCSA-N 340.380 1.203 0 40 EDAB NC(=O)c1cc(C[C@@H]2CCCN(Cc3cnccn3)CC2)ncn1 257213217 CGQQRHJCPSZFAL-CYBMUJFWSA-N 326.404 1.210 0 40 EDAB CC(C)N1CCN(CC(=O)N2CCC[C@@H](c3ccncn3)C2)CC1 257228976 FWBHLZHHEOJCCL-MRXNPFEDSA-N 331.464 1.209 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCOC[C@H]2c2[nH]ncc2C)c1 257239675 HQIHBQQKSFXTTL-HNNXBMFYSA-N 331.372 1.949 0 40 EDAB CC(C)[C@H]1CN(S(=O)(=O)CCS(C)(=O)=O)c2ccccc21 278870778 MYVSIPMZDGGUKA-CYBMUJFWSA-N 331.459 1.621 0 40 EDAB CCOCCNS(=O)(=O)c1cc(F)ccc1N(C)CCCOC 1615046382 BJCHXCDNDJWTGG-UHFFFAOYSA-N 348.440 1.613 0 40 EDAB Cn1ncnc1C1(O)CCN(c2nc(C(F)(F)F)ns2)CC1 1615612588 IACKPBFKSRCNNQ-UHFFFAOYSA-N 334.327 1.173 0 40 EDAB O=S(=O)(c1ccc(Cl)cc1F)N1CC(N[C@@H]2CCOC2)C1 1616038881 WIXVHPRDVIAXTH-SNVBAGLBSA-N 334.800 1.231 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CC(F)(F)C2)C1 575404458 MSSYHBYETDFUII-GFCCVEGCSA-N 326.347 1.480 0 40 EDAB Cc1ccc(CN(c2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575420455 ITZWPCOHTOBYOZ-MSOLQXFVSA-N 347.436 1.865 0 40 EDAB O=C(c1cnc(O)[nH]1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 575605995 IVTXJMOITNOBJC-CYBMUJFWSA-N 335.385 1.117 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)c1cn2c(C)cccc2n1 585278143 LYKBVBLUEKYHFU-QGZVFWFLSA-N 330.388 1.139 0 40 EDAB CNC(=O)c1cccc([C@H]2CNCCN2C(=O)c2ccc(F)cc2)c1 585182290 WUDCQSNOGRYRIC-QGZVFWFLSA-N 341.386 1.972 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCN(c3cnsn3)CC2)c1 585148858 KSPPLTLJXSCESA-UHFFFAOYSA-N 334.401 1.518 0 40 EDAB Cn1cncc1CN1CCC[C@@]2(CCC(=O)N2C[C@H]2CCCO2)CC1 585099795 AWJJHGOEKNGKJV-IEBWSBKVSA-N 346.475 1.946 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)C[C@@H](NC(N)=O)c1ccccc1F 48273152 JNIJOXYSQUGCQN-SMDDNHRTSA-N 333.367 1.327 0 40 EDAB C[C@@H](O)CNS(=O)(=O)c1ccc(Br)cc1Cl 35119248 KKRNPDHWSCGSOB-ZCFIWIBFSA-N 328.615 1.762 0 40 EDAB O=C(NCCNc1ncccn1)c1nc(C2CC2)n(-c2ccccc2)n1 69380902 RSXLCKGSGIOTPS-UHFFFAOYSA-N 349.398 1.777 0 40 EDAB NC(=O)CN(C(=O)/C=C/c1cnn(-c2ccccc2)n1)C1CCCC1 65473539 IAGFFHVRTLDLMB-ZHACJKMWSA-N 339.399 1.537 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O 66084159 IMNYURFZWOYXFR-MRXNPFEDSA-N 325.409 1.172 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCNC(=O)CC1)c1ccc(Cl)cc1 83847696 LGMBWMIOVFLDQA-CQSZACIVSA-N 338.839 1.474 0 40 EDAB C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1cn(C)c(=O)n(C)c1=O 1615548200 IEYBQVKJVQGIDT-SECBINFHSA-N 333.775 1.329 0 40 EDAB C[C@@H](CS(=O)(=O)N(C)C)NCc1cccc(N2CCCC2=O)c1 1616040705 CGNLXMOMCRRNTB-ZDUSSCGKSA-N 339.461 1.183 0 40 EDAB CCc1nnc(SCC(=O)Nc2cc(Cl)ccc2OC)n1N 5555120 VWCOOVMUWHAUTO-UHFFFAOYSA-N 341.824 1.947 0 40 EDAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1ccncc1)CC2 19405389 WKMXUCGEMVWKRQ-UHFFFAOYSA-N 333.395 1.828 0 40 EDAB Cc1nc([C@@H]2CCN(C(=O)CCc3ccccc3)C2)ncc1C(N)=O 19758292 SBHXMOSSQSVYKH-OAHLLOKOSA-N 338.411 1.833 0 40 EDAB Cc1[nH]c(=O)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c(O)c1C 207011555 LEXGKVMLUWQLNM-UHFFFAOYSA-N 336.369 1.353 0 40 EDAB Nn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccco1 5335889 DQWPIBPYXQSYIE-UHFFFAOYSA-N 329.385 1.660 0 40 EDAB O=C(NC[C@H]1CCCO1)NC1CN(c2cc(C(F)(F)F)ccn2)C1 1888857050 ZGHQKFADBZQBMU-GFCCVEGCSA-N 344.337 1.767 0 40 EDAB Cc1nnc(N2CC(NS(=O)(=O)CCc3ccccc3)C2)s1 1888873335 GILZFXYOILMHDQ-UHFFFAOYSA-N 338.458 1.197 0 40 EDAB CN(C)C(=O)c1cnn(CC2CCN([C@H]3CCCC[C@H]3O)CC2)c1 2037597105 RSTNGAWVIUWHFP-DLBZAZTESA-N 334.464 1.600 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 1565542088 LKBSMTJKXDJWSX-PBHICJAKSA-N 343.387 1.053 0 40 EDAB Cn1cnc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)n1 1565545263 YPGIPDXANGCXLY-UHFFFAOYSA-N 331.420 1.070 0 40 EDAB CC(C)N1CCO[C@H]2CN(C(=O)Cn3cc(Cl)cn3)CC[C@@H]2C1 1565547934 UDWXRVXJSYXBKF-HIFRSBDPSA-N 340.855 1.494 0 40 EDAB CCOc1cn(C)c(C(=O)NCc2ccc3c(c2)OCO3)cc1=O 23135545 WZRXMSRDQFVDCM-UHFFFAOYSA-N 330.340 1.443 0 40 EDAB O=C(NCc1cncc(-c2ccoc2)c1)N[C@H]1CCS(=O)(=O)C1 575620050 JHDTZKDREWKFME-AWEZNQCLSA-N 335.385 1.328 0 40 EDAB COc1ncc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)n1 585437364 VWJDKIZQFHDSHJ-UHFFFAOYSA-N 329.765 1.948 0 40 EDAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 2128287 PHKUSXBBVSULHF-OAFZBRQQSA-N 327.380 1.922 0 40 EDAB biogenic COc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)CCO3)cc1 40005760 YPDFDJDHFJTOAH-UHFFFAOYSA-N 349.408 1.987 0 40 EDAB COC(=O)c1cccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)c1 30586025 XSCZQXOFWZMHJV-UHFFFAOYSA-N 337.339 1.630 0 40 EDAB CCN1C[C@H](CN(C)C(=O)c2nccnc2N)Oc2ccccc21 40497886 AHHDWSMIEPJUDP-LBPRGKRZSA-N 327.388 1.418 0 40 EDAB Cc1cc(C)n(-c2ccc(CNC(=O)CN3CCSC3=O)cn2)n1 40553631 WVXYNMRTDTXQJE-UHFFFAOYSA-N 345.428 1.669 0 40 EDAB CC(C)OCc1cccc(CNC(=O)CN2CCC(C(N)=O)CC2)c1 51186447 GLAPDRCGSRRAML-UHFFFAOYSA-N 347.459 1.425 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NCc2ccc(Cn3cncn3)cc2)C1 45799355 MLCJGKITONQEAA-CQSZACIVSA-N 349.460 1.393 0 40 EDAB CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@@H]1c1cccnc1 43720 QAIBLNWRHVBMAN-CYBMUJFWSA-N 332.356 1.766 0 40 EDAB Cc1noc([C@@H](C)N2CCN(Cc3nc4ncccc4[nH]3)CC2)n1 69386745 PXOMADKQLBNQAO-LLVKDONJSA-N 327.392 1.528 0 40 EDAB COCCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 69374327 DBHXIRZDGDEMGU-UHFFFAOYSA-N 340.323 1.502 0 40 EDAB CN(C)CCOc1ccccc1C(=O)N1CCN(CC(C)(C)O)CC1 69771897 WLLWAOVNAHHTMD-UHFFFAOYSA-N 349.475 1.156 0 40 EDAB Cc1cc(NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n(C)n1 69777507 XYMIPGXPBCHZEJ-GFCCVEGCSA-N 333.367 1.333 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1Cc2ccccc2C1=O 20726164 HJMMEHRSVMDUFY-INIZCTEOSA-N 343.427 1.391 0 40 EDAB O=c1[nH]c(Cc2ccccc2)c(I)c(=O)[nH]1 1748691 UHBQSNLPGJRAEZ-UHFFFAOYSA-N 328.109 1.259 0 40 EDAB Cc1nn(C)c(C)c1CCNc1c(NCc2ccco2)c(=O)c1=O 101701523 SYQJZQXQKSGNKX-UHFFFAOYSA-N 328.372 1.493 0 40 EDAB O=C(COc1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 2640542 XFHFTQFRRULPIW-UHFFFAOYSA-N 332.791 1.858 0 40 EDAB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)ccc1O 6951943 ZVEODRDFFYLJFH-KPKJPENVSA-N 339.307 1.462 0 40 EDAB CCC(C)(C)NC(=O)[C@H](C)N1CCN(c2cc(Cl)ncn2)CC1 89942007 LLNRXHXNNFQAAR-LBPRGKRZSA-N 339.871 1.945 0 40 EDAB CN(C(=O)CCNS(=O)(=O)c1cccnc1)C1CCCCC1 32941724 YWHJCSTZHZHEPP-UHFFFAOYSA-N 325.434 1.541 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102605045 OPCRUYWZCROQEC-GADBESIXSA-N 342.395 1.825 0 40 EDAB O=S(=O)(c1ccc(CN2CCCC[C@@H]2CO)o1)N1CCCC1 52616405 IERQSIYYTLIVMO-CYBMUJFWSA-N 328.434 1.411 0 40 EDAB NC(=O)NC(=O)CCN1CCC(C(=O)c2cc(F)ccc2F)CC1 52873034 DFHOLXXPQVMANK-UHFFFAOYSA-N 339.342 1.445 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cn(-c2ccc(Cl)cc2)nn1 33213544 POGYGXIBLGSMIT-CQSZACIVSA-N 347.806 1.661 0 40 EDAB CCCCCNC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O 22241121 JPXSQTJILYKVTI-UHFFFAOYSA-N 336.436 1.154 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)CS(=O)(=O)C2CCCC2)no1 76046507 LACSMGPOGTVTER-LBPRGKRZSA-N 327.406 1.399 0 40 EDAB Cc1ncc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)c(C(C)C)n1 76053312 ALWFZBIWBRJWFY-CZUORRHYSA-N 332.448 1.701 0 40 EDAB CC(C)[C@@H](CNC(=O)Cn1nnc2ccccc2c1=O)N1CCCC1 42553079 DARSCFQYNIEMRN-MRXNPFEDSA-N 343.431 1.028 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3cnc4sccn4c3=O)C2)c1 69453618 SFRBDSLGDLQWFR-GFCCVEGCSA-N 343.412 1.738 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(=O)[nH]1 24186734 KHXCQIGJQFWEAS-CYBMUJFWSA-N 343.383 1.250 0 40 EDAB CNC(=O)NC(=O)CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 69441626 CSNAXUBTNVPZIS-CYBMUJFWSA-N 343.387 1.719 0 40 EDAB C[C@H]1COCCN1C(=O)NC[C@H](c1cccs1)N1CCOCC1 43099821 BAPJXMIEOXVCBV-UONOGXRCSA-N 339.461 1.552 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[C@H]1C[C@H]2CC[C@H]1C2 105886440 ZJKDFRYKPWMJSO-LXFSFDBISA-N 328.478 1.741 0 40 EDAB Cc1nn(C)c2ncc(CN[C@H]3CCCN(c4cccnn4)C3)cc12 105802296 LJIARNLNLSPVJV-HNNXBMFYSA-N 337.431 1.825 0 40 EDAB CCn1cc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cn1 24577357 SCUMUKWGSKENMY-UHFFFAOYSA-N 338.389 1.671 0 40 EDAB COc1ccccc1N1C[C@@H](C(=O)N(C)C2CCN(C)CC2)CC1=O 55349880 AMRDQXDATZQRAD-AWEZNQCLSA-N 345.443 1.601 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)NCCn3ccnc3)cn2)CCO1 43310958 ATVMWKCXJDHJRS-CQSZACIVSA-N 344.419 1.003 0 40 EDAB NC(=O)[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1ccccc1 47959187 PWCYCYPFIUHLTQ-HNNXBMFYSA-N 338.429 1.077 0 40 EDAB C[C@H]1CN(C(=O)CSc2nnnn2-c2ccccc2)C[C@H](C)O1 3234110 WAROOWCUISQNLS-RYUDHWBXSA-N 333.417 1.390 0 40 EDAB CN1CC[C@H](C(=O)N2CCCN(Cc3ccccc3)CC2)CC1=O 44341695 VDQLEQCWPKUFOP-KRWDZBQOSA-N 329.444 1.589 0 40 EDAB O=C(Cc1ccc(Cl)cc1)NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 102602402 RJIZTXJEPYRSSO-HBJVGIJOSA-N 334.759 1.076 0 40 EDAB CCN(CC)c1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1 3245463 UHYRVHQPYNORPF-MRXNPFEDSA-N 334.416 1.985 0 40 EDAB CCCCn1c(N)c(N(Cc2cc(C)on2)CC(C)C)c(=O)[nH]c1=O 27323148 YJWBEGUMKVDERP-UHFFFAOYSA-N 349.435 1.878 0 40 EDAB CCc1ccc(OC[C@H](O)Cn2nnc(-c3cccnc3)n2)cc1 58217866 HJJDLTOBVUQGMF-OAHLLOKOSA-N 325.372 1.737 0 40 EDAB COc1ccc(OC)c(-n2nnnc2SCC(=O)NC(C)C)c1 58298212 KAXJBTIFMODLAM-UHFFFAOYSA-N 337.405 1.296 0 40 EDAB C[C@H](O)CNC(=O)C1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 44950980 RQZKJWCXPZECBA-RYUDHWBXSA-N 338.452 1.637 0 40 EDAB O=C(COc1ccc2c(c1)CCC2)N1CCN(C[C@@H]2CCCO2)CC1 12688701 GQOFRDCNUZUQKL-IBGZPJMESA-N 344.455 1.877 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)CCO1 110658581 ZBCCTTSYOJABGW-OGNFBWPZSA-N 342.439 1.748 0 40 EDAB C[C@@H](CNC(=O)CCCOc1ccc(S(C)(=O)=O)cc1)N(C)C 58393258 BRDGCVRDOYGTSI-ZDUSSCGKSA-N 342.461 1.315 0 40 EDAB Cc1nc(N2CCNC(=O)C2)c2cnn(-c3ccc(F)cc3)c2n1 58315391 GAIBYYVOZZQTQA-UHFFFAOYSA-N 326.335 1.199 0 40 EDAB O=C(Nc1ncn(Cc2cccnc2)n1)c1ccnc(-n2ccnc2)c1 58402293 FWYMPCAQGYLLIG-UHFFFAOYSA-N 346.354 1.554 0 40 EDAB Cc1ccc2ncc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(=O)n2c1 28485176 NUZMQDHOICNNRQ-UHFFFAOYSA-N 338.367 1.238 0 40 EDAB C[C@@H](CCc1ccc(O)cc1)NC(=O)NC[C@H]1CCS(=O)(=O)C1 45380121 DISNZUCGVVCASN-GXTWGEPZSA-N 340.445 1.447 0 40 EDAB Cc1nccn1-c1ccc([C@H](C)NS(=O)(=O)N(C)C)cc1F 79044819 YYVWPZHHBQTCKW-JTQLQIEISA-N 326.397 1.777 0 40 EDAB O=C(Cc1cn2ccsc2n1)NCc1cccnc1-n1cncn1 48262129 KKVXSZHWGHWASQ-UHFFFAOYSA-N 339.384 1.230 0 40 EDAB C[C@H](c1ccc(F)cc1)N(C)C(=O)NCCCNS(C)(=O)=O 48251809 OKQVVXKVJQOMAG-LLVKDONJSA-N 331.413 1.467 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 48340722 OLKYIXLHMPDQCS-CYBMUJFWSA-N 339.399 1.236 0 40 EDAB COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 3451611 JPACWKRLWWIFCG-UHFFFAOYSA-N 343.335 1.897 0 40 EDAB Cc1nc(CN2CCC[C@H](NCc3ccc4c(c3)OCCO4)C2)no1 69510667 UIUAPDXZUBSOLT-HNNXBMFYSA-N 344.415 1.903 0 40 EDAB CCOCC(=O)NCCCNC(=O)c1ccc(Br)cc1 69566502 YXTNRDVZRLVYNB-UHFFFAOYSA-N 343.221 1.722 0 40 EDAB COc1cc(C(=O)NCCCN2CCC[C@H]2C(N)=O)cc(OC)c1C 69582520 GEZDHBZSVJQKSJ-AWEZNQCLSA-N 349.431 1.082 0 40 EDAB CCOC(=O)C(C)(C)N(C)CC1=NS(=O)(=O)c2ccccc2N1 69662181 IODWTJKEHOLCKR-UHFFFAOYSA-N 339.417 1.473 0 40 EDAB COC(=O)c1nnn(CC(=O)Nc2cc(C)cc(C)c2)c1C(=O)OC 3906915 RNXCQIPGIDTDTM-UHFFFAOYSA-N 346.343 1.107 0 40 EDAB CCC[C@@H](NC(N)=O)C(=O)N1CCC(N(C)c2ccccc2)CC1 64309302 VPZWOSWNKZRQEI-MRXNPFEDSA-N 332.448 1.951 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)Cc1ccccc1F)C2=O 18023681 KMSSYXYHUVUVHE-UHFFFAOYSA-N 333.363 1.900 0 40 EDAB CCN(CC)C(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1 69880448 CCYZKGAKROZAJY-INIZCTEOSA-N 333.432 1.680 0 40 EDAB COc1ccc(Cl)cc1CC(=O)N1CCN(CC(C)(C)O)CC1 69927836 FZSOPPROAKKOOR-UHFFFAOYSA-N 340.851 1.806 0 40 EDAB CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(C)no1 64942184 QFFJBFOSZUKDJQ-ZDUSSCGKSA-N 329.422 1.194 0 40 EDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCCN(c2cccnn2)CC1 69949665 TYCDZOHMHVKAKJ-UHFFFAOYSA-N 338.371 1.812 0 40 EDAB C[C@H](Nc1cccc2c1CCCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1 8747475 KOKDQIUIQSSHGI-GXTWGEPZSA-N 336.457 1.669 0 40 EDAB CC(=O)N/C(=C/c1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2 65399581 MXJGREZAQZGFDA-RVDMUPIBSA-N 339.399 1.360 0 40 EDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCc3cccs3)ccc21 8761892 NTHLEAGBZCVWNL-UHFFFAOYSA-N 343.408 1.744 0 40 EDAB C[C@H]1C[C@H](C)CN(c2nnc(SCC(N)=O)n2Cc2ccco2)C1 14077685 LBGXKSDMFHUFFC-RYUDHWBXSA-N 349.460 1.979 0 40 EDAB COC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 65512435 IWVXRKAWVVKWFC-HOTGVXAUSA-N 344.411 1.242 0 40 EDAB CCNC(=O)NCCCOC(=O)c1cccc(OCC(=O)OC)c1 65542610 UDDFCXPDRQTEOT-UHFFFAOYSA-N 338.360 1.104 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c(=O)[nH]1 14190696 CYGCCHLAGHFQSI-BLLLJJGKSA-N 328.368 1.836 0 40 EDAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)cc1 14162013 VBRIDLKRXHBXJF-OAHLLOKOSA-N 325.416 1.934 0 40 EDAB CCOCCN(C[C@@H](C)C(=O)OC)C(=O)c1cc(-c2ccco2)[nH]n1 65606508 LULYVRIHMQIWQH-GFCCVEGCSA-N 349.387 1.958 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1 6509077 BLIDANQMSARENI-ZFWWWQNUSA-N 335.381 1.137 0 40 EDAB O=C(N1CCOCC1)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 96000581 ULDGBXBRYQSMCE-CQSZACIVSA-N 344.371 1.562 0 40 EDAB CCNC(=O)CNC(=O)CSc1nc2cc(Cl)ccc2[nH]1 9319386 PTISXRKAEOOORO-UHFFFAOYSA-N 326.809 1.561 0 40 EDAB O[C@@H](COCc1ccccc1F)Cn1nnnc1-c1ccccn1 66738521 RODOUWGPGKAYGY-CYBMUJFWSA-N 329.335 1.452 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1 5904135 INJPTYJGPZOLGZ-UHFFFAOYSA-N 344.348 1.693 0 40 EDAB CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O 8947321 KAXWGVYAWVPHLK-SFHVURJKSA-N 331.416 1.887 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@@](CCC)(c2ccccc2)C1=O 7474030 UUXRMETWOKHDIJ-KRWDZBQOSA-N 342.403 1.831 0 40 EDAB CN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(Br)c1 7702696 RHFLIQNFWXLUSA-UHFFFAOYSA-N 347.234 1.348 0 40 EDAB Cc1ccc(-c2nnn(CC(=O)c3ccc4[nH]c(=O)[nH]c4c3)n2)cc1 7976274 BHDTUNWQTVAHCE-UHFFFAOYSA-N 334.339 1.701 0 40 EDAB Cc1ccc(NC(=O)CN(C)CC(=O)N2C[C@@H](C)C[C@H](C)C2)nc1 69015794 WSDWWKTUDJZBRM-GJZGRUSLSA-N 332.448 1.765 0 40 EDAB COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 8268589 BWDBKSKUQCTEHZ-NWDGAFQWSA-N 336.388 1.208 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCCC1 9305112 AKCYZKXYQYHZON-CYBMUJFWSA-N 341.433 1.457 0 40 EDAB CNC(=O)CC1CCN(C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 96444907 BBYMDCQPMNVLCB-HNNXBMFYSA-N 336.480 1.561 0 40 EDAB O=C1CCCN1c1cccc(OCC(=O)N2CCCn3ncnc32)c1 71839417 XKHOHWSWSREJSD-UHFFFAOYSA-N 341.371 1.221 0 40 EDAB Cc1nn(CC(=O)Nc2cccc3c(=O)[nH]nc(O)c23)c(C)c1Cl 71893471 XIXNFVQHLMHCEX-UHFFFAOYSA-N 347.762 1.734 0 40 EDAB COc1c(C)cc(CNCCCN2CCC(C(N)=O)CC2)cc1C 71825222 OOQMCMCZIMJBGL-UHFFFAOYSA-N 333.476 1.989 0 40 EDAB C[C@H](NC(=O)C(C)(C)C)C(=O)NCCCOCC1CCOCC1 71920812 CXVUAVLMYIHIJR-ZDUSSCGKSA-N 328.453 1.487 0 40 EDAB CN1CC(=O)Nc2cc(C(=O)NCCCOC[C@@H]3CCCO3)ccc21 71903958 HWOPCYHKNACSCY-AWEZNQCLSA-N 347.415 1.390 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)C2)no1 72231845 WODDRERFGJFWSA-UONOGXRCSA-N 334.420 1.589 0 40 EDAB CCCN(CC(=O)NC)c1ncnc2c1nnn2-c1ccccc1 72296151 RWKSEFJTRDQBEB-UHFFFAOYSA-N 325.376 1.173 0 40 EDAB CC(C)COc1ncccc1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269558 ANKRRYBGGRAUOB-IAGOWNOFSA-N 347.459 1.788 0 40 EDAB NC(=O)C1CCN(C(=O)Nc2cnn(-c3ccccc3F)c2)CC1 84515007 YQUCQJROKWKVPV-UHFFFAOYSA-N 331.351 1.741 0 40 EDAB Cn1ccc(CNC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1 95440820 LRTIYUYPZYSPBJ-LSDHHAIUSA-N 333.388 1.652 0 40 EDAB O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1n[nH]c(=O)[nH]1 95430463 LAJQZFNLZVIIBO-CYBMUJFWSA-N 342.330 1.787 0 40 EDAB c1nc(N2CCOCC2)cc(N2CCN(Cc3nccs3)CC2)n1 95432394 IJBJQSVGWLPPCC-UHFFFAOYSA-N 346.460 1.092 0 40 EDAB CC[C@H]1CN(C)c2ccccc2CN1CCCN1C(=O)CNC1=O 88562614 MXLQIQQJCOJZIU-HNNXBMFYSA-N 330.432 1.659 0 40 EDAB CN(CC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)c1ncnc2[nH]cnc12 95956210 KLCLUIVWIZIXDJ-OLZOCXBDSA-N 340.362 1.601 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 95994979 SHRNYXLROHAQCS-CYBMUJFWSA-N 338.408 1.827 0 40 EDAB Cc1nc(C)c(C(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)o1 95979490 RLYZSJWRDHGSKC-JTQLQIEISA-N 345.363 1.977 0 40 EDAB Cc1cc(CC(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)n[nH]1 95965394 GTDSWURPFWFWHE-MRXNPFEDSA-N 327.384 1.761 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)CCc2ccc(F)cc2)n1 75145640 QXJAVPLWVURKQJ-UHFFFAOYSA-N 339.392 1.638 0 40 EDAB CC(C)n1cc(CN2CCCN(C(=O)[C@@H](C)n3ccnc3)CC2)cn1 75129501 AJKKJMCASGPYNI-MRXNPFEDSA-N 344.463 1.956 0 40 EDAB O=C(Cn1nnnc1Cc1ccccn1)N1CCC[C@@H]2CCCC[C@@H]21 75109698 AAFDYVYVYACZGA-HOCLYGCPSA-N 340.431 1.840 0 40 EDAB NC(=O)C[C@H](NC(=O)Nc1nc(-c2cccnc2)cs1)C1CC1 75109238 NLJISMDRWXLSQF-NSHDSACASA-N 331.401 1.981 0 40 EDAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)s1 36360146 IVYDISFHWXIDJX-FZMZJTMJSA-N 346.412 1.843 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C2(CN)CN)cc1 218450342 UEQTWIRZQVPUCK-IAGOWNOFSA-N 348.443 1.978 0 40 EDAB COC(=O)c1c(SCC(=O)Nc2cccc(C)c2)nc(=O)[nH]c1C 31618466 XAFZTVQZBNJNQZ-UHFFFAOYSA-N 347.396 1.904 0 40 EDAB Cc1noc(-c2cccn3c(=O)n(CCOc4ccccc4)nc23)n1 75166025 LJMFNHQNTFAUEM-UHFFFAOYSA-N 337.339 1.933 0 40 EDAB Cc1nn(C(F)F)cc1S(=O)(=O)N(C)Cc1cnn(C)c1C 36615331 IGYVUZJUERNLHC-UHFFFAOYSA-N 333.364 1.449 0 40 EDAB CCc1ccccc1CC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 188585119 JJYDZICCJIQDTL-OAHLLOKOSA-N 347.440 1.986 0 40 EDAB CN(CC1CCN(C(=O)[C@H]2CC23CCOCC3)CC1)c1ncccn1 1062218701 JGDRVXJHTCYUDT-MRXNPFEDSA-N 344.459 1.968 0 40 EDAB Cc1ccc(CCNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cn1 78988805 QWOYEHIGPBSMAJ-LBPRGKRZSA-N 344.337 1.395 0 40 EDAB CNC(=O)[C@@H]1CN(c2cc(C)ncn2)CCN1Cc1ccccc1 72365982 MFHKEQHYNJVEQZ-INIZCTEOSA-N 325.416 1.222 0 40 EDAB CNc1cnc(C[C@H]2COCCN(C(=O)c3coc(C)n3)C2)cn1 72388255 NMFMQFCRTLWZIW-GFCCVEGCSA-N 331.376 1.146 0 40 EDAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCCn2nnnc21 568399636 VRZJSQJGRGRNGK-UHFFFAOYSA-N 330.348 1.986 0 40 EDAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCN(C)CC2)cc1 225432270 PPIJNZWBYWOKJV-LBPRGKRZSA-N 345.399 1.791 0 40 EDAB biogenic,in-vitro O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(S(=O)(=O)c1ccccc1)C2 225478191 BITJTPRNRWNICY-WFASDCNBSA-N 344.392 1.849 0 40 EDAB biogenic,in-vitro C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)C1 227161727 BIHWQWJYUFAASQ-VXGBXAGGSA-N 338.429 1.708 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)NCc2ccccn2)cc1 223302076 KHWKNBSVSJUWRJ-UHFFFAOYSA-N 349.412 1.027 0 40 EDAB CC(C)(C)c1nnc(CNC(=O)NC[C@H]2CC[C@@H](CO)O2)s1 569665001 DMOJNLHNCURSSN-ZJUUUORDSA-N 328.438 1.175 0 40 EDAB CN(C(=O)C(F)(F)F)c1ccc(N2CCOCC2)c(C(N)=O)c1 226279398 GVLMSWMXUATLLG-UHFFFAOYSA-N 331.294 1.147 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 195261125 PYWLYVBOTPTEGV-ZDUSSCGKSA-N 335.429 1.915 0 40 EDAB O=C(c1ccc2ccccc2n1)N1CCN(C[C@H](O)C2CC2)CC1 85436577 LVNYCFIJLYFJLH-SFHVURJKSA-N 325.412 1.764 0 40 EDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccncc2)cc1 223286656 GUYTYEAJCOLMPF-QPJJXVBHSA-N 331.397 1.319 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2cnn(C)c2)cc1 583616180 SFCDCQJNTVUTKW-FUHWJXTLSA-N 329.400 1.941 0 40 EDAB CCn1nccc1CN1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 195559173 UACUIGQYEQANPO-MRXNPFEDSA-N 339.399 1.556 0 40 EDAB COC[C@H](O)CN1CCC(N[C@H]2CCCNc3ccccc32)CC1 193057015 LAMWRRUQSZALML-APWZRJJASA-N 333.476 1.995 0 40 EDAB Cc1ccc(CN2CCC3(CC2)CCN(CC(=O)N(C)C)C3=O)o1 96046847 YRVGVXBTFQSQQQ-UHFFFAOYSA-N 333.432 1.491 0 40 EDAB Cn1ccnc1CN1CC[C@]2(COCCN(Cc3ccncc3)C2)C1 96062363 FSMILTJBWXGWIS-IBGZPJMESA-N 341.459 1.540 0 40 EDAB O=C([C@@H]1CN(CC2CCOCC2)CC12CCOCC2)N1CCCC1 96052195 TULKHQCHNHCOPV-KRWDZBQOSA-N 336.476 1.764 0 40 EDAB C[C@@H](CNC(=O)NC[C@H]1CN(C)CCN1C)Sc1ccccc1 96440125 ORXRRIIBIMFKOO-GJZGRUSLSA-N 336.505 1.712 0 40 EDAB CN(C)C(=O)[C@@H]1OC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 96058400 QVCCCJMWCNYHJX-CQSZACIVSA-N 338.429 1.097 0 40 EDAB Cc1ccnc(OC[C@@]23CCO[C@@H]2CCN(c2ncccn2)C3)n1 96110459 ZLHDQGVUEZSVTI-PBHICJAKSA-N 327.388 1.639 0 40 EDAB CC(C)(C)C(=O)N1CCOC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 96240089 VYGFRCJLBWNTKY-LJQANCHMSA-N 346.427 1.694 0 40 EDAB O=C([C@H]1COC[C@H]2CN(Cc3cccs3)C[C@H]21)N1CCOCC1 96040716 OTZOUVAQVOTMBQ-BMFZPTHFSA-N 336.457 1.301 0 40 EDAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(Cc3ccc(F)cc3)C[C@H]12 96185448 OZSFRNWUAOMAQJ-CWRNSKLLSA-N 342.436 1.212 0 40 EDAB COCCS(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 96415062 FWKASBYBXLASJL-RDJZCZTQSA-N 340.489 1.948 0 40 EDAB COc1cccc(CC(=O)N2CCN(CCC3(O)CCC3)CC2)c1 583249274 SFPNVZKYOPNYRR-UHFFFAOYSA-N 332.444 1.687 0 40 EDAB CN(C)[C@H]1CCCN(C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)C1 96495505 PHOACNNULHLSOT-RDJZCZTQSA-N 340.489 1.324 0 40 EDAB CC(=O)c1c[nH]ccc1=NC(=O)C1CCN(CC(F)(F)F)CC1 331338004 JHLJDVKZVISJTL-UHFFFAOYSA-N 329.322 1.919 0 40 EDAB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccncc1)C2 96084508 LIGJLIOKCVWPGV-UHFFFAOYSA-N 325.416 1.957 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(CCCN2C(=O)c2cscn2)C1 96071280 YPVZWNDLCMAEEK-AWEZNQCLSA-N 343.474 1.563 0 40 EDAB Cc1ccc([C@@H]2[C@@H](C(=O)Nc3nccs3)OCC(=O)N2C)cc1 96181531 HUXLHQNJZOHKTK-KGLIPLIRSA-N 331.397 1.989 0 40 EDAB O=C(N1CCCC1)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96048541 FRFBWVLOPWYUKB-WMLDXEAASA-N 349.410 1.867 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(Br)c(C)c1 93103074 DLDDJYHBCBOFON-YPMHNXCESA-N 328.206 1.866 0 40 EDAB Cc1nc(C)c(C)c(N2CCC[C@@H](CNS(=O)(=O)C(C)C)C2)n1 95416508 RENYYFSFGYALLY-HNNXBMFYSA-N 340.493 1.946 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 247560962 YRPSESCWOPJMPM-RDBSUJKOSA-N 342.848 1.594 0 40 EDAB CO[C@@](C)(C(=O)NCCC(=O)Nc1ncc[nH]1)c1ccccc1F 585088201 OSCYJOYBTAOGFX-MRXNPFEDSA-N 334.351 1.555 0 40 EDAB CN(Cc1nncn1C)C(=O)c1cnc2c(c1)c(C(C)(C)C)nn2C 585083318 QNBVTJLNPJCNQM-UHFFFAOYSA-N 341.419 1.667 0 40 EDAB O=C(COC[C@@H]1CCCO1)N1c2nc(Cl)ccc2N2CC[C@H]1C2 585125213 KNXBNVRAFRARFQ-RYUDHWBXSA-N 337.807 1.856 0 40 EDAB CC(C)n1cc(S(=O)(=O)N2[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]2C)cn1 585129441 JRBHMJSCBPEGCJ-GRYCIOLGSA-N 328.438 1.092 0 40 EDAB CNC(=O)[C@H]1CN(C[C@@H](C(=O)OC(C)(C)C)c2ccccc2)CCO1 585133395 GYBYBEBHAHFDIF-HZPDHXFCSA-N 348.443 1.559 0 40 EDAB COc1ccc(CN2C(=O)N[C@](C)(c3c(F)cccc3F)C2=O)nn1 252508958 XZGZRQGDMPPQNF-MRXNPFEDSA-N 348.309 1.731 0 40 EDAB Cc1noc(C)c1C(=O)N1CCO[C@@H](c2nccnc2N(C)C)C1 257262276 LKUCRCXINADTFB-GFCCVEGCSA-N 331.376 1.361 0 40 EDAB Cc1cc(C)n(CC(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)n1 257320809 VYTJBFDPMFAFLR-GOSISDBHSA-N 343.431 1.043 0 40 EDAB O=C(Cc1c(F)cccc1Cl)NCc1nnc2c(O)nccn12 253407246 VTZWNTKDLXPHBI-UHFFFAOYSA-N 335.726 1.481 0 40 EDAB CN1C(=O)CCCc2cc(S(=O)(=O)NCc3ccn(C)n3)ccc21 252509252 YILNDDFOBAEBKZ-UHFFFAOYSA-N 348.428 1.198 0 40 EDAB Cn1ccnc1-c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1 257315053 UZSKKJFZYDPDEO-UHFFFAOYSA-N 335.433 1.091 0 40 EDAB COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)cc1 257342081 ZMZULDVRVUTASM-UKRRQHHQSA-N 333.413 1.127 0 40 EDAB COC(=O)c1cc(CNC(=O)C2CCN(CC(F)F)CC2)oc1C 252491818 LUZQOXTVAYFCSE-UHFFFAOYSA-N 344.358 1.968 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)N2CCCC2)C[C@@H]1c1ccccc1 257287789 PRNKNEVUQFTIQL-MRXNPFEDSA-N 337.445 1.232 0 40 EDAB CCn1cc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3Nc3cnccn3)C2)cn1 257248844 JFMALNGWHSGIJH-NWANDNLSSA-N 326.404 1.656 0 40 EDAB O=C(c1ncccn1)N1CCOC[C@H](Cc2nccn3cccc23)C1 257265122 LXKAKYLYSSDMSW-CQSZACIVSA-N 337.383 1.456 0 40 EDAB CC1(C(N)=O)CN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 1615046864 HXZGGAOCPNQXEY-UHFFFAOYSA-N 331.347 1.747 0 40 EDAB COc1cn(C)c(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1=O 1615549236 LCJHPXYBKAHYBP-WCQYABFASA-N 334.322 1.958 0 40 EDAB O=S(=O)(c1cc(F)ccc1Cl)N1CC(N[C@@H]2CCOC2)C1 1616038404 PJHZWDOEPBLXPL-SNVBAGLBSA-N 334.800 1.231 0 40 EDAB COc1ccc(S(=O)(=O)N2c3ncccc3NC(=O)[C@@H]2C)cn1 390835253 HVRJDDMQUFARLV-VIFPVBQESA-N 334.357 1.021 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)/C=C/c2cccc(Cl)c2)[C@@H]1O 585285426 CQIWLQALXFVNLI-ALRGJMFCSA-N 325.792 1.586 0 40 EDAB COc1cccc2[nH]c(C(=O)N3CCN(C)[C@@H](C(=O)N(C)C)C3)cc12 585168416 WJODSQOKBXQVMY-OAHLLOKOSA-N 344.415 1.021 0 40 EDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2cccc(NC)n2)C1 585276248 FEPGAEZMSVYWSY-KRWDZBQOSA-N 334.420 1.271 0 40 EDAB O=C(C1CC(O)C1)N1CCOC[C@H]1c1nccc(N2CCCCC2)n1 585113166 UKWFHMFHSUHNIJ-NRXISQOPSA-N 346.431 1.138 0 40 EDAB CC(=O)N1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)CC1 48260654 JGTMPGBAZOGFSA-UHFFFAOYSA-N 341.415 1.289 0 40 EDAB CC(=O)NCCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 58291527 MHMSFJXOKCZEFJ-QGZVFWFLSA-N 332.448 1.476 0 40 EDAB CCCc1nc(Cn2c(-c3ccc(OC)c(OC)c3)noc2=O)no1 58377916 HQLFNMALJHBEEW-UHFFFAOYSA-N 346.343 1.904 0 40 EDAB C[C@H]1CN(Cc2nnc(C3CC3)o2)CCN1c1ccc2nncn2n1 69454430 CYHFSCXTCWTTEH-NSHDSACASA-N 340.391 1.095 0 40 EDAB CCOc1c(Cl)cc(C(=O)N[C@](C)(COC)C(N)=O)cc1OC 69814390 SFWCDYLZKIKSLB-OAHLLOKOSA-N 344.795 1.368 0 40 EDAB CN1CCO[C@H](C(=O)NCCc2ccc(OC3CCCC3)cc2)C1 81314448 YCODHHTVCMMRBQ-SFHVURJKSA-N 332.444 1.997 0 40 EDAB Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]43 100100080 NRGHCWQGTHPFTE-GKXFTAGESA-N 349.434 1.675 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@]2(C(=O)O)CCC[C@H]2C)cc1C(=O)O 1615587001 AAVGGXAKIVCVIJ-MEBBXXQBSA-N 341.385 1.615 0 40 EDAB C[C@H](NC[C@@](C)(O)C1CC1)[C@@H]1COCCN1C(=O)OC(C)(C)C 1615614458 GVDAXLISTDDMKZ-RVSPLBMKSA-N 328.453 1.761 0 40 EDAB CCn1cc(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)cn1 104155051 CLYXKPQJGRSXHR-UHFFFAOYSA-N 327.328 1.293 0 40 EDAB Cc1nc2ccccc2c2nn(CC(=O)N3CCCC[C@H]3C)c(=O)n12 12144978 JTARGVXLYSQUMY-GFCCVEGCSA-N 339.399 1.754 0 40 EDAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCC[C@@H]3C)nc12 12145073 PQCIDXBLRLOZPC-ZDUSSCGKSA-N 341.415 1.872 0 40 EDAB COC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H]1c1ccc(F)cc1 12157272 TVRVZMFMFVAPFT-YUELXQCFSA-N 348.374 1.019 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)cc2)c1 12999222 FAKGDLKAADLUIG-UHFFFAOYSA-N 343.368 1.167 0 40 EDAB CCCNS(=O)(=O)c1cc(C(=O)N(CC)CC)ccc1OC 14291952 UIPKWOSALPEYKI-UHFFFAOYSA-N 328.434 1.866 0 40 EDAB COc1ccnc(N2C[C@@H]3CN(C(=O)c4cc(C)oc4C)C[C@H]3C2)n1 1888844359 LKPPXUUNVLDIGW-KBPBESRZSA-N 342.399 1.903 0 40 EDAB C[C@H]1Cc2cc(C(=O)Nc3nncs3)ccc2N1S(C)(=O)=O 21214730 UGEGIKMMQMHCHL-QMMMGPOBSA-N 338.414 1.501 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)Cc1ccco1 33207559 AINYZJQBRWKLME-SNVBAGLBSA-N 338.385 1.297 0 40 EDAB Cc1nnsc1C(=O)NCC1(N2CCOCC2)CCSCC1 1776008803 NXCWZLXNIGNTTJ-UHFFFAOYSA-N 342.490 1.174 0 40 EDAB CCOCCCC(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 497009150 FNHNKQCKPBJYHM-UHFFFAOYSA-N 344.452 1.681 0 40 EDAB CC1CC(C(=O)N2CCc3c(ncn3C)[C@H]2CN2CCOCC2)C1 1614930415 BZFZBGFPUOIUJQ-ZBCRRDGASA-N 332.448 1.224 0 40 EDAB CCN1C(=O)NC2(CCN(C(=O)/C=C/c3ccccc3)CC2)C1=O 11694134 AVPQCWJZIALFLD-CMDGGOBGSA-N 327.384 1.633 0 40 EDAB CS(=O)(=O)NCc1noc2c1C[C@H](NCc1ccccc1)CC2 2055729728 CIHQMXTUBWRNMP-CYBMUJFWSA-N 335.429 1.371 0 40 EDAB CC(C)(C)NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 23127541 XYWNPWXLFIBEGP-UHFFFAOYSA-N 337.489 1.991 0 40 EDAB Cc1cc2ncc(NS(=O)(=O)CCOc3ccccc3)cn2n1 206740537 MQQVBSFIDOBNQC-UHFFFAOYSA-N 332.385 1.858 0 40 EDAB O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)Nc1cccnc1 49389031 HSOYPUJSNASFQI-UHFFFAOYSA-N 340.339 1.691 0 40 EDAB COc1ccccc1S(=O)(=O)NC[C@@]1(O)CCc2ccccc2C1 85560306 UJZAWPSTLWMAMD-GOSISDBHSA-N 347.436 1.894 0 40 EDAB C/C(NC[C@H]1CCCO1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 101040084 VEDPHCVXJAYFNP-MBFWDRTGSA-N 335.404 1.440 0 40 EDAB C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 40466690 INPUKBYTROXSGB-WDEREUQCSA-N 331.821 1.753 0 40 EDAB COc1ccccc1CCNC(=O)Cn1nnc(-c2ccco2)n1 40497096 OWTMONVTXKIHHQ-UHFFFAOYSA-N 327.344 1.301 0 40 EDAB CNC(=O)CCS(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 40528841 WWHCRKTYROYTJA-UHFFFAOYSA-N 343.792 1.441 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)COc2cccc(Cl)c2)C1 29191219 AXKBJKQZINREHS-GFCCVEGCSA-N 346.836 1.259 0 40 EDAB Cc1cccnc1NC(=O)NCc1cccnc1N1CCOCC1 45969043 NZEYSQPUARPVAH-UHFFFAOYSA-N 327.388 1.943 0 40 EDAB Cc1cc(S(=O)(=O)NCc2cccs2)ccc1-n1cnnn1 1341982 UBSFCWWBKAFDSR-UHFFFAOYSA-N 335.414 1.511 0 40 EDAB CC(C)c1nnc(NC(=O)CSC(=S)N2CCOCC2)s1 1587281 RBUKAXFLVYYKQF-UHFFFAOYSA-N 346.503 1.950 0 40 EDAB Cc1cc(C)n(CCCNC(=O)C[C@@H]2Oc3ccccc3NC2=O)n1 20918909 CIWWRVFVKODUQB-INIZCTEOSA-N 342.399 1.796 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)C(C)(C)Oc1ccc(F)cc1 32672151 HXAMGJLEKPCCPB-UHFFFAOYSA-N 340.351 1.761 0 40 EDAB CC[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 2652797 PYEVMJJSZUGTRB-APPDUMDISA-N 331.372 1.131 0 40 EDAB O=C(CSc1nnc2ccccn12)NC(=O)NCc1ccccc1 2619526 ALBPDVQIDFURNN-UHFFFAOYSA-N 341.396 1.847 0 40 EDAB O=C(NC[C@@H]1CCCO1)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 4984225 WWVCGZZOBWMICS-ODUNQGDFSA-N 329.356 1.674 0 40 EDAB CCc1noc(C)c1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 69700612 MCSWELLTAXHLHC-NSHDSACASA-N 329.422 1.089 0 40 EDAB C[C@H](OC(=O)COc1ccc(Cl)cc1Br)C(N)=O 7430821 UPBUENCMUYAWFT-LURJTMIESA-N 336.569 1.898 0 40 EDAB COC(=O)CN(C)C(=O)CCN[C@@H](c1ccccc1)c1ccccn1 69705752 FUJFSQJIEOOHMC-IBGZPJMESA-N 341.411 1.782 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 104305262 KRQLVRFWDXTSDZ-DXEWXGHRSA-N 348.468 1.696 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C1(O)CCCCC1 32873885 MADNWNWZIALKSM-OLZOCXBDSA-N 340.420 1.629 0 40 EDAB CCCN1CC[C@H](CNc2ccc(S(=O)(=O)NC)cc2F)C1 91457401 RVGTTXPHCSCRNL-GFCCVEGCSA-N 329.441 1.878 0 40 EDAB Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1NS(C)(=O)=O 10314406 NIZKTOBCMLKXEV-UHFFFAOYSA-N 347.396 1.718 0 40 EDAB CNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 8404888 KHTVMFMSBBVOJC-UHFFFAOYSA-N 326.418 1.620 0 40 EDAB CC(=O)Nc1nc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cs1 32976301 AXEFQCUMMOEPME-VIFPVBQESA-N 348.432 1.910 0 40 EDAB COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCC(=O)O 9188282 OSQRFKFAIWFJAA-NSHDSACASA-N 325.386 1.603 0 40 EDAB CCOC(=O)N(C)Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 8314101 JRGHCKTTWSNYPJ-GFCCVEGCSA-N 329.422 1.448 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCCCn2cccn2)[C@@H]1c1ccccc1 57355367 OFIWLSMHRUHEFF-AEFFLSMTSA-N 340.427 1.999 0 40 EDAB CCCCNC(=O)[C@H]1CC[C@H](C)N(c2ncnc3c2cnn3C)C1 53579271 DNHLRBIQKRTYST-STQMWFEESA-N 330.436 1.885 0 40 EDAB COC(=O)c1cc(NC(=O)[C@@H](C)OC(=O)C2CC2)cc(C(=O)OC)c1 22554558 QOBALGPCLRXHAR-SECBINFHSA-N 349.339 1.540 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(-n2cncn2)nc1 22989731 SYRLXFFMUSVBLT-UHFFFAOYSA-N 336.311 1.209 0 40 EDAB O[C@@H](COC[C@@H]1CCCO1)CN1CCN(c2ccc(F)cc2)CC1 23624359 VNJZFNLEGRFFSN-MSOLQXFVSA-N 338.423 1.504 0 40 EDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)NC1CCCCC1 47579290 ZXIKRINSANBGTI-MRXNPFEDSA-N 327.494 1.826 0 40 EDAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)NC[C@H]1CCOC1 47742643 ZUOSBHUBXUJTIQ-KGLIPLIRSA-N 339.461 1.457 0 40 EDAB CC1CCN(S(=O)(=O)N2CCN(Cc3cccs3)CC2)CC1 23018409 DBMBHHSGHRVZNJ-UHFFFAOYSA-N 343.518 1.842 0 40 EDAB CCN(CC)c1ccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)cc1 54005063 NPEAMHYNXVHSQH-KBPBESRZSA-N 339.486 1.393 0 40 EDAB O=C(N[C@H]1CCN2CCCC[C@H]12)N[C@@H]1CCCN(c2ncccn2)C1 106101324 BCNGEFPIZQMDSC-OWCLPIDISA-N 344.463 1.371 0 40 EDAB C[C@@H](OC(=O)C1CCOCC1)C(=O)NC(=O)NC1CCCCC1 24935973 GGWRGPJRNWMTDM-LLVKDONJSA-N 326.393 1.503 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cnc(-c2ccccc2)nc1 106581917 QNZPNKBMWHYJFC-IRXDYDNUSA-N 338.411 1.737 0 40 EDAB O[C@@H](COc1ccc(F)cc1)CN1CCO[C@H](Cn2cccn2)C1 106665424 CCHGSOVWTSCWBZ-WBVHZDCISA-N 335.379 1.163 0 40 EDAB CC(C)[C@H](C(=O)N(C)C1CCS(=O)CC1)N1C[C@@H](C)O[C@H](C)C1 106917336 OZTXSULHRQAAFI-QOFYYDBYSA-N 344.521 1.490 0 40 EDAB CCCc1noc([C@H](C)N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)n1 107141946 DYJNFTSXQQTPSI-YCPHGPKFSA-N 349.479 1.568 0 40 EDAB O=C(NCCN1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1)C1CCC1 107497661 TZZWDCYPCNCWDU-SZMVWBNQSA-N 347.503 1.873 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)n1 57253857 ILTHFICCISLNFY-HNNXBMFYSA-N 340.383 1.138 0 40 EDAB CCCN1CCN(C(=O)CSc2nnc(-c3cccnc3)o2)CC1 25854874 UWOQXEWSVOLKKE-UHFFFAOYSA-N 347.444 1.778 0 40 EDAB O=C(O)CN1CCN(Cc2ccc(Br)cc2F)CC1 35680693 RMSMDGRIXFINEU-UHFFFAOYSA-N 331.185 1.790 0 40 EDAB C[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(S(N)(=O)=O)cc1 27324357 FJZWEQUONPMFCV-MRVPVSSYSA-N 327.793 1.807 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@H]1COc2ccc(Cl)cc2C1 44721053 UPCCLLWCNUQBDP-CMPLNLGQSA-N 343.832 1.442 0 40 EDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccc(Cn2ccccc2=O)o1 44941751 UNVSRFOAZUIDTO-HZPDHXFCSA-N 341.411 1.846 0 40 EDAB Cn1ccnc1[C@@](O)(CCNC(=O)NCc1ccco1)C(F)(F)F 44954202 FUNDDADNJWSTEV-ZDUSSCGKSA-N 346.309 1.653 0 40 EDAB CC(=O)N1CCC(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 44918345 YVQKBMHVIKEFFH-UHFFFAOYSA-N 330.363 1.752 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)c2ccn(C)c(=O)c2)Oc2ccccc21 44907802 AIUAUPVBVLFGBN-OAHLLOKOSA-N 341.411 1.745 0 40 EDAB O=C(CNc1ccc(I)cc1)N1CCNC1=O 12641022 MJWDBDSJRISSTO-UHFFFAOYSA-N 345.140 1.255 0 40 EDAB O=C(CN1CCC2(CCCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 58356680 CEMBLAIRSMNYSZ-AWEZNQCLSA-N 328.478 1.336 0 40 EDAB Cc1ccc([C@H](CNC(=O)CNC(=O)c2ccoc2)N(C)C)cc1 58326023 LYOYQOAVSRKTDR-INIZCTEOSA-N 329.400 1.737 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)C1 58306602 JHRLXMYYCJIMHU-NWDGAFQWSA-N 349.522 1.253 0 40 EDAB COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCO3)[C@H](C)C2)cc1 58316553 AFIAVYVWYXFSSY-CJNGLKHVSA-N 332.400 1.689 0 40 EDAB Cc1ccc(CN(C(=O)CN(C)c2ncnc3[nH]cnc23)C2CC2)o1 58428193 WIVOQMKNZHHCIV-UHFFFAOYSA-N 340.387 1.882 0 40 EDAB CCNc1nc(NCC)nc(OCCNC(=O)Nc2ccccc2)n1 2267903 STUDXKYMESGHFA-UHFFFAOYSA-N 345.407 1.936 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3nnc(C)o3)CC2)c1 62121313 KIQYRCJDEKBAEO-UHFFFAOYSA-N 336.417 1.506 0 40 EDAB C[C@H]1C[C@H](C)CN(CCNC(=O)c2cccnc2N2CCOCC2)C1 48221338 PEGKRNBJBHAZGG-HOTGVXAUSA-N 346.475 1.626 0 40 EDAB CN(C)c1nc(N)nc(CCNC(=O)N[C@H]2CCc3ccccc32)n1 48326273 DNRRXFHXGPYQIS-ZDUSSCGKSA-N 341.419 1.049 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)NCc2nnc3n2CCC3)n1 48373168 DKSPLKWFANAYNF-NSHDSACASA-N 331.424 1.173 0 40 EDAB COc1cccc(C(=O)N2CCCN(CC(=O)NC(C)(C)C)CC2)c1 48355856 MUDKCRKPWKWTLZ-UHFFFAOYSA-N 347.459 1.758 0 40 EDAB CC(=O)c1cc2c(cc1NC(=O)c1nc3nccc(C)n3n1)OCO2 3410189 UWFNGYYXSRTXEO-UHFFFAOYSA-N 339.311 1.616 0 40 EDAB O=C(c1cccc(Cl)c1)N1CCN(Cc2nnnn2C2CC2)CC1 12919864 KZHRHTGKQYRESX-UHFFFAOYSA-N 346.822 1.619 0 40 EDAB CCC(CC)NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 12932606 HVLDIHIMAFQUKF-UHFFFAOYSA-N 328.434 1.530 0 40 EDAB COC(=O)CCNC(=O)c1nnn(-c2ccc(C)cc2)c1C1CC1 69514802 KLDZYABLJHBXIA-UHFFFAOYSA-N 328.372 1.746 0 40 EDAB C[C@@H]1CN(Cc2cc(O)ccc2Br)C[C@@H](C(N)=O)O1 92007728 SHNTXWXXYSWVMN-PELKAZGASA-N 329.194 1.229 0 40 EDAB Cc1noc(C)c1CC(=O)NS(=O)(=O)N1CCCc2ccccc21 69631789 PGRRHURVGJHUQC-UHFFFAOYSA-N 349.412 1.648 0 40 EDAB Cc1nccn1CCCC(=O)N1CCC(N(C)c2cccnn2)CC1 69875189 GEYSNTNQCGFAPU-UHFFFAOYSA-N 342.447 1.889 0 40 EDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H](CCOC)NC(C)=O 69873427 LRMMIQWQLVNKIM-OAGGEKHMSA-N 325.453 1.003 0 40 EDAB Cc1ccc(C)c(N2N=C(C(=O)N[C@H]3CCCNC3=O)CCC2=O)c1 64092229 VBJIYWJRROODMR-ZDUSSCGKSA-N 342.399 1.181 0 40 EDAB CCOC(=O)Nc1cc(S(=O)(=O)NCCOC)ccc1OC 408588813 ZESUCPIDAOQRPM-UHFFFAOYSA-N 332.378 1.188 0 40 EDAB O=C1COc2ccc(C(=O)N3CCCC[C@@H]3Cn3cccn3)cc2N1 69975257 MQEQCJCDKPIYJH-CQSZACIVSA-N 340.383 1.909 0 40 EDAB O=C(CSc1nncn1Cc1ccco1)NC(=O)NC1CCCC1 8726891 ILQYLLGIMUMTJU-UHFFFAOYSA-N 349.416 1.780 0 40 EDAB Nc1nc(SCC(=O)Nc2cccc(Br)c2)n[nH]1 6414430 MFVADRQCCFHOTN-UHFFFAOYSA-N 328.195 1.880 0 40 EDAB CCOc1ccc(C(C)=O)cc1CN1C(=O)C(=O)N(C(C)C)C1=O 6435917 PBQNVKRHMFJGER-UHFFFAOYSA-N 332.356 1.987 0 40 EDAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)c1ccccc1 14112565 KSOXEKRWPZYQML-UHFFFAOYSA-N 342.376 1.964 0 40 EDAB CCN1CCN(C(=O)CC2CCN([C@@H](C)c3nnc(C)o3)CC2)CC1 66568288 YDYYUOIRFSJJMW-AWEZNQCLSA-N 349.479 1.705 0 40 EDAB Cc1ccc([C@@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)N(C)C)cc1 67268569 INJHVXCONUJRJK-GDBMZVCRSA-N 338.473 1.539 0 40 EDAB CN(CCO)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 70924387 RARWHMNDEFFFAC-HNNXBMFYSA-N 334.416 1.436 0 40 EDAB CCc1cccc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 15302745 SQYPLCLVHMQBLC-QGZVFWFLSA-N 345.443 1.511 0 40 EDAB COc1ccc(C(=O)NC[C@](C)(O)C(=O)O)cc1Br 90274776 GWTZFENUVXYIDU-LBPRGKRZSA-N 332.150 1.023 0 40 EDAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3cc(C)on3)ccc21 7299570 HRPFGTJCDCDJHZ-JTQLQIEISA-N 343.343 1.932 0 40 EDAB COc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CCCO2)cc1 68113103 GRQVDWWOMVVWKO-ZIAGYGMSSA-N 336.413 1.714 0 40 EDAB COc1ccc(-c2n[nH]c(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)n2)cc1 71279762 DKSXKMUTHQAOCL-QWRGUYRKSA-N 330.344 1.776 0 40 EDAB O=C(Nc1ccn(CCc2ccccn2)n1)N[C@@H]1C=C[C@H](CO)C1 81649475 MMYAAALUDZWHHO-DZGCQCFKSA-N 327.388 1.579 0 40 EDAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCC1CCOCC1 96115420 UBPYAHYRIOSFPB-HNNXBMFYSA-N 345.399 1.060 0 40 EDAB biogenic COc1ccc2c(c1)c(C(=O)CN1CCN(CCO)CC1)c(C)n2C 19707413 SRZCNRLWUPFSBH-UHFFFAOYSA-N 345.443 1.288 0 40 EDAB COC(=O)C1=C(C)N(C(C)C)C(=O)[C@]1(NC(=O)C1CC1)C(F)(F)F 9340809 SJVMAGAVUCXBRW-AWEZNQCLSA-N 348.321 1.511 0 40 EDAB Cc1cnc(CCNC(=O)NCCc2nnc3n2CCCCC3)s1 173590330 YPHKSIDHSYHKJL-UHFFFAOYSA-N 348.476 1.854 0 40 EDAB COC(=O)c1ncn(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)n1 71796136 GTYVWARBGYDASG-GFCCVEGCSA-N 330.344 1.588 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)N3CCCCC3)CC2)no1 71793475 AJNKEOQYVDADNU-CQSZACIVSA-N 349.435 1.534 0 40 EDAB C[C@H](c1nc2ccccc2n1C(F)F)N(C)CCNS(C)(=O)=O 96443349 RASDKBLUJSIUJA-SNVBAGLBSA-N 346.403 1.973 0 40 EDAB O=C(NCc1cc2cc(F)ccc2s1)N1CCS(=O)(=O)CC1 71803947 NHFRKCHZVZBFFH-UHFFFAOYSA-N 342.417 1.980 0 40 EDAB CC1(C)CN(C2(CNC(=O)CCn3cncn3)CCCCC2)CCO1 71889143 ZZEUNASQFCWBHK-UHFFFAOYSA-N 349.479 1.598 0 40 EDAB Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[C@H]3C3CCCC3)cnc21 71821435 RGNMQWRGXJKKQC-AWEZNQCLSA-N 342.399 1.417 0 40 EDAB CC(C)NS(=O)(=O)[C@H]1CCN(Cc2nc3c(s2)CCC3)C1 97034003 WXUUWXGNECVWOH-NSHDSACASA-N 329.491 1.534 0 40 EDAB CN(C)[C@@H](CNC(=O)NCCNC(=O)OC(C)(C)C)c1ccco1 72088020 ZTMCUHIEFZGBKV-LBPRGKRZSA-N 340.424 1.706 0 40 EDAB COCCN1C[C@H](C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)CC1=O 83902837 YOKCSEUKDXEJPS-CHWSQXEVSA-N 348.403 1.105 0 40 EDAB COc1cccc2[nH]cc(CCNC(=O)NCc3cnn(C)c3)c12 97048116 SVPFSCJPKQNOCL-UHFFFAOYSA-N 327.388 1.952 0 40 EDAB O=C(CCCOc1ccccc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269472 DIWFDQCHPYHNMR-MSOLQXFVSA-N 332.444 1.903 0 40 EDAB CN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3nnc(C4CCC4)o3)C2)C1=O 76058809 AIAUATYAUXHFCN-SJCJKPOMSA-N 347.419 1.489 0 40 EDAB C[C@H]1CN(Cc2csc(NC(=O)Cc3ccon3)n2)C[C@H](C)O1 76302567 ANTFSTIGMRZMPT-QWRGUYRKSA-N 336.417 1.922 0 40 EDAB CC(C)(CC(=O)NCC1(O)CCS(=O)(=O)CC1)c1ccccc1 72304363 WDVZFVYMRUSPFH-UHFFFAOYSA-N 339.457 1.410 0 40 EDAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3cc(C)nn32)c1 72333034 MJQSJMSDVKLLLR-LBPRGKRZSA-N 330.344 1.731 0 40 EDAB CN1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)Cc2ccccc21 95351052 HMQZKQRALUBFKJ-IAGOWNOFSA-N 344.459 1.511 0 40 EDAB CC[C@@H](CO)N(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 84733761 YVCWNPBAOUCVAK-CVEARBPZSA-N 340.489 1.936 0 40 EDAB CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 408709365 RNEGTOYGTDZPSN-UHFFFAOYSA-N 325.368 1.610 0 40 EDAB CS(=O)(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 60512406 YOFNLXDGHVULIS-UHFFFAOYSA-N 344.483 1.751 0 40 EDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1n[nH]c3ccccc13)CC2 95400723 MQJKJOLNGDEZKN-IRXDYDNUSA-N 343.427 1.884 0 40 EDAB CCc1nn(C)c(CC)c1CNC(=O)N[C@@H](C)c1nnc2n1CCC2 95437549 IHBQXOUSGKJHEI-NSHDSACASA-N 345.451 1.643 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)N3CCCCC3=O)CCO2)n1 78889720 SFQAOWIEQXAPNJ-OLZOCXBDSA-N 349.435 1.058 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)c1c[nH]c(=O)c(Br)c1 78939293 QWLNHKCYEPDRQL-UHFFFAOYSA-N 339.193 1.532 0 40 EDAB Cc1nnc(CNC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)n1C 78986320 GOMAGMZJPCAYIE-MRXNPFEDSA-N 345.422 1.934 0 40 EDAB CCC1(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)COC1 79069475 KBXNEYXXFKOWLV-UHFFFAOYSA-N 331.460 1.660 0 40 EDAB Cn1cc(CNC(=O)N[C@H](CO)c2ccccc2)c(C(F)(F)F)n1 95995123 ZDBMROOMWSSABN-GFCCVEGCSA-N 342.321 1.972 0 40 EDAB COC(=O)CNC(=O)c1ccc(CSc2nc(C)cc(C)n2)o1 79479459 POWAZQIHQZEKLD-UHFFFAOYSA-N 335.385 1.882 0 40 EDAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)NC[C@@H]1CCCC[C@H]1O 86334567 JAYSKZOLCVHPPQ-SMDDNHRTSA-N 347.440 1.726 0 40 EDAB Cc1ccc(O)c(S(=O)(=O)N2CCOc3c(C(=O)O)cccc32)c1 89624080 BXIKUHGWBXRTJF-UHFFFAOYSA-N 349.364 1.987 0 40 EDAB O=C(Cn1cc(C2CC2)nn1)N(Cc1ccco1)C[C@@H]1CCCO1 89797664 JVDLZXSYOIWFLY-HNNXBMFYSA-N 330.388 1.956 0 40 EDAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnc(C2CC2)nc1 89764572 ZVOHXZJUCBUJFI-UHFFFAOYSA-N 328.376 1.077 0 40 EDAB CCc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 408648908 CVMADFDWWDWFQQ-VTQNTBAGSA-N 343.379 1.928 0 40 EDAB C[C@H](c1ccsc1)N1CCN(C(=O)NCc2ncn(C)n2)CC1 127663872 DAAYUDNGIQYIEW-GFCCVEGCSA-N 334.449 1.465 0 40 EDAB Cc1nn(C)cc1CN1CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)O)CC1 36611008 FFGWFCFJTNACMP-HOTGVXAUSA-N 346.431 1.040 0 40 EDAB Cc1nn(C)c2c(=O)n(C)c(NCc3ccc4c(c3)OCO4)nc12 32651427 MQDLHRIWFKNRSB-UHFFFAOYSA-N 327.344 1.316 0 40 EDAB Cc1cn([C@H]2CO[C@@H]3CO[C@H](c4ccccc4)O[C@H]3C2)c(=O)[nH]c1=O 79036618 FMYZRWWKHDJURY-DLTWYDFYSA-N 344.367 1.289 0 40 EDAB O[C@@H](c1ccccn1)C1CCN(Cc2cc3n(n2)CCNC3)CC1 72133607 LWSXKSSSOILBCK-GOSISDBHSA-N 327.432 1.327 0 40 EDAB Cn1cc(-c2nnc(N3C[C@@H]4CCC[C@@H]43)n2C[C@@H]2CCCO2)cn1 566396694 FSLGWJDZHCLLPI-QEJZJMRPSA-N 328.420 1.846 0 40 EDAB COc1c([C@H]2SCC(=O)Nc3[nH]ncc32)cc2c(c1OC)OCO2 35324660 DXIYCHZCVWWHMD-CQSZACIVSA-N 349.368 1.930 0 40 EDAB Cc1ccc(-n2cc(S(=O)(=O)N3CC[C@H](N)C[C@H]3C)cn2)cc1 521394660 YXSJPWBKXDTVQW-KGLIPLIRSA-N 334.445 1.681 0 40 EDAB CN(C)S(=O)(=O)N1CCC(c2cnc(Br)cn2)CC1 72344467 QDECAACCKVRBNJ-UHFFFAOYSA-N 349.254 1.225 0 40 EDAB Cc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2C(CO)CO)n1 72384854 PYQQXWMTTSQEEV-HNNXBMFYSA-N 344.419 1.199 0 40 EDAB Cn1cnnc1SCCNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 42381421 IMVKQLZNHQZGFK-UHFFFAOYSA-N 346.391 1.866 0 40 EDAB COCCN1CCCN(C(=O)[C@H]2CCc3cccc(O)c32)CC1=O 569717642 URFAEGVQNJKZDR-AWEZNQCLSA-N 332.400 1.129 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NC[C@](C)(O)c1ccco1 75156336 DKNPYSFALMNIEA-ZDUSSCGKSA-N 345.398 1.314 0 40 EDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccco2)s1 225708799 NPBNEDSNQOJVTD-UHFFFAOYSA-N 330.391 1.204 0 40 EDAB O=C(N1CCOCC1)N1CCN(c2ccnc3ccsc23)CC1 96429112 FNMQRZWEPOLNLC-UHFFFAOYSA-N 332.429 1.871 0 40 EDAB Cc1ccc(N2CC[C@H](N(C)C[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 96424490 NUZDACGLWWKXRV-HOCLYGCPSA-N 336.457 1.467 0 40 EDAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc2c(c1)OCO2 96186243 XEAKVWVYLJKFFJ-ZIAGYGMSSA-N 346.383 1.267 0 40 EDAB Cc1nn(C)c(Cl)c1CSc1nnc(C2CCOCC2)n1N 96430266 JIQMELADTAVNGG-UHFFFAOYSA-N 342.856 1.874 0 40 EDAB CN(CCn1cnnc1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 96501203 IEKHETDAPQNBPH-UHFFFAOYSA-N 335.311 1.013 0 40 EDAB COCCNC(=O)CCc1c(C)[nH]c2c3c(F)cccc3nn2c1=O 96232495 BKBOFCBOOKJWKP-UHFFFAOYSA-N 346.362 1.319 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@]3(C[C@@H](CN4CCCC4)CO3)C2)c1 96228406 BRGPTFBYZZANJU-YJBOKZPZSA-N 332.448 1.527 0 40 EDAB O=C(Cc1cccnc1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618255830 JPXDDSAIAGXMQA-UHFFFAOYSA-N 342.399 1.042 0 40 EDAB O=C(NC1CCCC1)N1C[C@H]2OCC(=O)N(Cc3ccncc3)[C@@H]2C1 96246381 GAMNMTHZJQDXKR-HZPDHXFCSA-N 344.415 1.145 0 40 EDAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(C[C@H]1CCNC(=O)CC1)[C@@H]3C2 333593723 VLVCKKNYRBZIGL-WBOJAVRRSA-N 340.489 1.743 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1c(=O)oc2cccnc21 96475830 FDMABEHYDYRFOO-STQMWFEESA-N 333.388 1.701 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H]1CCN(CC2CC2)C1 96440568 WZFRCBXVXHEUES-WBMJQRKESA-N 333.480 1.751 0 40 EDAB CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 96181930 VKACOPNLKIZSSK-RDJZCZTQSA-N 333.407 1.509 0 40 EDAB Fc1cccnc1O[C@@H]1CN(C2CCOCC2)Cc2ccnn2C1 247489748 BBYKETYMAVYDGO-OAHLLOKOSA-N 332.379 1.859 0 40 EDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)c3nccn3C)C[C@@H]21 257287992 PSHUDALNUQRXPK-HZSPNIEDSA-N 326.404 1.197 0 40 EDAB COc1cc(CNC(=O)CN(C)C(C)=O)c(Br)cc1O 585089914 KSOMRAHHORFFHH-UHFFFAOYSA-N 345.193 1.258 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1 257305464 SQDOJGFSQOSMJU-CQSZACIVSA-N 345.403 1.065 0 40 EDAB CCCCCOCC(=O)NCC1CCN(CCC(=O)OC)CC1 585127904 LYXRVBWPFXZTSZ-UHFFFAOYSA-N 328.453 1.585 0 40 EDAB CCCc1cc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)no1 257260704 LDZIGLOFARNBKY-GOSISDBHSA-N 344.415 1.783 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)CCCn3cncn3)CCO2)ncn1 257311596 UKGJDRYORZCOSI-MRXNPFEDSA-N 344.419 1.017 0 40 EDAB COc1ccc(CN(C)[C@@H]2CN(C(=O)c3cncs3)C[C@H]2O)cc1 257335701 YLMCWWHANLQGNY-HUUCEWRRSA-N 347.440 1.469 0 40 EDAB CN1CCN(Cc2ccc3ccccc3n2)C[C@H](C(=O)N(C)C)C1 257276205 NSUBBQJWRWGTBO-MRXNPFEDSA-N 326.444 1.687 0 40 EDAB O=S(=O)(c1cccc(N2CCC(O)CC2)n1)N1CCC[C@@H]2C[C@H]21 1615053457 UZASLZKNXBBILZ-TZMCWYRMSA-N 337.445 1.216 0 40 EDAB O=C1CC[C@H](C(=O)Nc2ccc(I)cc2O)N1 390833212 DPPRGQUUAXNUPX-MRVPVSSYSA-N 346.124 1.214 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CC[C@H](Oc2ncc(F)cn2)C1 390829566 ZULKZPDPJKIQBK-NSHDSACASA-N 345.359 1.914 0 40 EDAB Cc1noc([C@H](C)NS(=O)(=O)Cc2cccc(C(=O)O)c2)n1 569452671 MOTHTNWOJPRSTI-QMMMGPOBSA-N 325.346 1.257 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575404968 PTKMMOZPKIZTED-CQSZACIVSA-N 326.356 1.324 0 40 EDAB CN(CCCN[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1 574395574 BZOJVRSBAQBTDP-VQIMIIECSA-N 341.459 1.808 0 40 EDAB O=C(c1cc[nH]c1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 585108845 UPUPMSXUNKZHAX-YESZJQIVSA-N 327.384 1.999 0 40 EDAB Cn1ccnc1SCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 58162371 MAYBHRVFXBYVPO-UHFFFAOYSA-N 340.449 1.592 0 40 EDAB COC(=O)[C@H]1CCc2nnc(-c3ccc(S(C)(=O)=O)cc3)n2CC1 952881610 BFWHQSLPTAULLG-LBPRGKRZSA-N 349.412 1.474 0 40 EDAB C[C@@H]1CN(CC(=O)NCc2cccs2)CCN1Cc1nccn1C 69455804 ORXCTGSBWBCONZ-CQSZACIVSA-N 347.488 1.304 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CCN(C[C@@H](O)C2CC2)CC1 85436572 DKWKVUSKLPIASX-OAHLLOKOSA-N 332.429 1.220 0 40 EDAB O=S(=O)(NCC1(OCCO)CCCC1)c1ccc(F)c(F)c1 952964655 KAQVYBAHIJWRKV-UHFFFAOYSA-N 335.372 1.565 0 40 EDAB CCn1cc(Br)c(C(=O)N[C@H](C)c2noc(C)n2)n1 1615613177 SJDMEPLYGXFKNB-ZCFIWIBFSA-N 328.170 1.848 0 40 EDAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCC[C@H](O)C(=O)O 1615612876 CHEIVNBTHKWGGN-ZDUSSCGKSA-N 337.763 1.400 0 40 EDAB Cc1cc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c(C)s1 1615614909 KPRQYWFGPYOBPK-UHFFFAOYSA-N 343.470 1.785 0 40 EDAB CN(c1nnnn1CCCn1cc(Br)cn1)C1CC1 1616036015 DLOQSSZJWFRZJL-UHFFFAOYSA-N 326.202 1.321 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C1 12238939 VOHNFWYXRSZKNX-OAHLLOKOSA-N 334.445 1.281 0 40 EDAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 13582078 WCNYRJYAELABAF-UHFFFAOYSA-N 345.380 1.634 0 40 EDAB CCn1nc(C)c(CN(C)S(=O)(=O)c2c(C)nn(C)c2C)c1C 14229738 GPWPCGPMASVAIB-UHFFFAOYSA-N 339.465 1.691 0 40 EDAB Cc1nc(C)c(C(=O)N2CCO[C@H](C(=O)NC3CCCC3)C2)s1 19747825 BHFSFPNKVTZYRR-ZDUSSCGKSA-N 337.445 1.660 0 40 EDAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NC[C@](C)(O)C1CC1)C(=O)C2 206711836 IKYPKIOMKXLJHG-RCBQFDQVSA-N 329.462 1.462 0 40 EDAB Cn1cc(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)c2ccccc21 607853633 JWYOCYVOSLUGMU-LJQANCHMSA-N 343.427 1.088 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618255602 TWJPBQQCUOYPLZ-GDZNZVCISA-N 340.383 1.813 0 40 EDAB C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](CC(=O)O)c1cccc(Cl)c1 519598931 BBHAZHDEZWOWLX-TVYUQYBPSA-N 347.820 1.953 0 40 EDAB O=C(c1cc2c(nn1)CCCC2)N1CCN(Cc2cccnc2)CC1 1888859928 TUKVMDNLNLFIMU-UHFFFAOYSA-N 337.427 1.708 0 40 EDAB CCN=c1nc(N2CCN(Cc3c(C)noc3C)CC2)cc(C)[nH]1 1889098185 VQPMOCBLJYEGFZ-UHFFFAOYSA-N 330.436 1.566 0 40 EDAB Cc1cc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n2ncnc2n1 1889111349 UJBROSSDOYGWJU-CYBMUJFWSA-N 346.460 1.225 0 40 EDAB CN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccc(Br)o1 30218740 FYXULNMAMUUBRN-UHFFFAOYSA-N 344.209 1.804 0 40 EDAB Cc1ncoc1C(=O)N1C[C@H](c2ccccc2)[C@H]2OCC(=O)NC[C@H]21 2037984482 CFXJUCXAQFBDAL-CKEIUWERSA-N 341.367 1.106 0 40 EDAB Cc1nc2ccccn2c1C(=O)N1CC[C@H]2CN(C)CCO[C@H]2C1 1565551794 KLBJTBWQOBWGOO-GJZGRUSLSA-N 328.416 1.435 0 40 EDAB CC(C)NC(=O)[C@@H]1CCc2c(C(=O)Nc3cccnc3)ncn2C1 2055714474 BGGKJITTWLDMQB-GFCCVEGCSA-N 327.388 1.617 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[C@H](Oc2cnccn2)C1 225793448 SXBWZNQCQLRBMD-DCGLDWPTSA-N 341.367 1.685 0 40 EDAB O=C(c1ccc(C(F)(F)F)cc1)N1CC(CN2C(=O)COC2=O)C1 575614882 AFWIGPLNWCPPCJ-UHFFFAOYSA-N 342.273 1.756 0 40 EDAB O=C(Cc1c(F)cccc1Cl)NC[C@@]1(OCCO)CCOC1 617718032 QYEMLAOADPXVFY-HNNXBMFYSA-N 331.771 1.306 0 40 EDAB O=C1COc2cc(C(=O)NCCOc3ccc(F)cc3)ccc2N1 30481306 ZLILDCJRTZCMLQ-UHFFFAOYSA-N 330.315 1.965 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)Cn1cc(C(F)(F)F)ccc1=O 31397343 OOMBYUHJWCGMFV-SNVBAGLBSA-N 328.294 1.269 0 40 EDAB O=C(Cc1noc2ccccc12)N1CCC(CN2CCOCC2)CC1 40539073 VHIPMHNNFALYBT-UHFFFAOYSA-N 343.427 1.941 0 40 EDAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCCNc1cnccn1 40525091 JCCWODYMIQSNBS-ZDUSSCGKSA-N 326.400 1.961 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)NCc1nncn1CC)CO2 40540985 ZLSBHNXFWXBEHV-UHFFFAOYSA-N 328.372 1.789 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)C2CC2)o1 40513757 GKLHWYYEKKVWRY-WBMJQRKESA-N 343.427 1.965 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 8270541 QCOFYEOLOMAGRL-HNAYVOBHSA-N 341.411 1.901 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H](OC1CCCC1)c1ccccc1 69369762 HLKVKBGCJCGEMD-HOCLYGCPSA-N 337.441 1.990 0 40 EDAB CSCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2384976 XYVRXLDSCKEYES-JSGCOSHPSA-N 335.429 1.360 0 40 EDAB endogenous,in-man C[C@H]1CN([C@H](C)CNC(=O)c2ccc(-n3cncn3)cc2)C[C@@H](C)O1 32430712 MXNBIBVCEVHJFJ-KFWWJZLASA-N 343.431 1.495 0 40 EDAB COc1cccc(CC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 41165915 MXKIQBIUSGDBCC-AWEZNQCLSA-N 340.445 1.026 0 40 EDAB CN(CCCNC(=O)c1cc2ccc(Cl)cc2[nH]1)S(C)(=O)=O 41421789 WKVWADBOGQLNFV-UHFFFAOYSA-N 343.836 1.833 0 40 EDAB CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)cc1 27028595 JCSXTBDMLNQDJJ-STQMWFEESA-N 334.401 1.917 0 40 EDAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 102241891 IVCSWHQSGBIMFZ-HNNXBMFYSA-N 348.374 1.733 0 40 EDAB Cc1ccccc1OC[C@@H](O)CNC[C@@H]1CCCN1c1cccnn1 75584869 RVICEUFZWLOLOW-IRXDYDNUSA-N 342.443 1.783 0 40 EDAB NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 47032005 NKCPYEYPQOAHHC-SECBINFHSA-N 336.335 1.591 0 40 EDAB CCn1cnnc1CNC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 47021495 CUHYDHZGPQTCJI-LBPRGKRZSA-N 343.387 1.118 0 40 EDAB Cc1csc(=O)n1CC(=O)O[C@H](C)C(=O)N(C)c1ccccc1 22381596 KUUXWTWTKBXAFY-GFCCVEGCSA-N 334.397 1.813 0 40 EDAB O=C1NC(=O)C(C(=O)c2cc(F)ccc2-c2ccccc2)C(=O)N1 103501964 PGFXUQVLGPRHBL-UHFFFAOYSA-N 326.283 1.658 0 40 EDAB O=C(NCCNc1ncccn1)C1CCN(C(=O)c2ccco2)CC1 47105929 NGEQTJHZRZDJOI-UHFFFAOYSA-N 343.387 1.150 0 40 EDAB CCN(CC)S(=O)(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 23404786 BDPBWAMYQCMPCR-AWEZNQCLSA-N 340.424 1.825 0 40 EDAB O=C(Nc1cccc(N2CCOCC2)c1)c1cc2c([nH]c1=O)CCC2 61718985 ZGGRYXNKBOFXLI-UHFFFAOYSA-N 339.395 1.953 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NNc2nc(C)cc(C)n2)c1 24255968 LJVJQNZOHOTISQ-UHFFFAOYSA-N 336.373 1.185 0 40 EDAB CN1CC[C@@H](NC(=O)NCc2cc(F)cc(Br)c2)C1=O 76018483 KKNZDGKOGWWDBP-LLVKDONJSA-N 344.184 1.618 0 40 EDAB C[C@H](CNS(=O)(=O)c1cccc2cnccc12)N1CCOCC1 55238934 BWFSPNKDYWVWEM-CYBMUJFWSA-N 335.429 1.234 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 106648451 DSNFOXLJTBFUJU-CAOSSQGBSA-N 335.448 1.056 0 40 EDAB C[C@H](C(=O)NC1CCCCC1)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 76059546 CWWAIQOZYUAMCY-OLZOCXBDSA-N 347.463 1.525 0 40 EDAB Cc1nc(C)n(C[C@H]2CN([C@H](C)c3nc(C4CC4)no3)CCO2)n1 106908191 NSXJYLZEMDLBAQ-QMTHXVAHSA-N 332.408 1.617 0 40 EDAB CCOC(=O)C1=C(CN2CCC[C@@H]2Cc2ccccc2)NC(=O)NC1 25440836 LUXXBQWOOFOKFH-OAHLLOKOSA-N 343.427 1.824 0 40 EDAB COc1cc(/C=C/C(=O)OCCN2CCCC2=O)cc(OC)c1OC 3258434 IDZBNQNQEASMBX-VOTSOKGWSA-N 349.383 1.891 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N1CCCC1 58180314 XHJVBDUWGVZHST-VIFPVBQESA-N 334.800 1.768 0 40 EDAB O=C1[C@H](NS(=O)(=O)c2ccc(F)cc2)CCN1Cc1ccccc1 58195460 LFAIJNRDZZKJIX-MRXNPFEDSA-N 348.399 1.905 0 40 EDAB CC[C@@](C)(NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)C(=O)OC 58181746 HFMFQRSHEIUWKU-KZULUSFZSA-N 348.399 1.649 0 40 EDAB COc1ccc(COC[C@@H](O)Cn2nnc3ccccc3c2=O)cc1 44891864 PCMVOVIWIOPTFL-AWEZNQCLSA-N 341.367 1.378 0 40 EDAB c1cnc(N2CCN(Cc3nc(-c4ccsc4)no3)CC2)cn1 27633973 GXYXPMDZRIHKLB-UHFFFAOYSA-N 328.401 1.910 0 40 EDAB CC(=O)NCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 58250016 QITGBEYVMPWWEL-CHWSQXEVSA-N 325.206 1.805 0 40 EDAB Cn1cc([C@@H](O)CNC(=O)NCc2csc(C(C)(C)C)n2)cn1 78940893 HASRPVWSWAVSLD-LBPRGKRZSA-N 337.449 1.707 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)N[C@H]1CCN2CCCC[C@H]12 44942089 FBQDPFRKEZJVPT-UONOGXRCSA-N 346.456 1.591 0 40 EDAB Cc1ccc(Cl)c(OCC(=O)NC[C@H]2CCS(=O)(=O)C2)c1 44907939 TYQJZPVNLAEFQC-LLVKDONJSA-N 331.821 1.578 0 40 EDAB C[C@H]1CCCCN1CCNC(=O)NCc1ccc(-n2cncn2)nc1 44968732 LVVONXCBJIXQSU-AWEZNQCLSA-N 343.435 1.336 0 40 EDAB COc1ccccc1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 58393983 SLWWCNVYSQWCLU-HNNXBMFYSA-N 331.416 1.250 0 40 EDAB CCc1noc(CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)n1 58310761 PTHRTAKJDXGSDE-OAHLLOKOSA-N 336.298 1.877 0 40 EDAB CCN(C(=O)NCc1ccc(OC)nc1)[C@@H](C)CS(C)(=O)=O 79036028 UOVVRWUCJXRMHP-NSHDSACASA-N 329.422 1.055 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)c2ccnc(-n3ccnc3)c2)cc1 48321889 UUOFXGNWBOCYSM-INIZCTEOSA-N 338.367 1.739 0 40 EDAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 3450726 AVCIQVYQFYMPFR-UHFFFAOYSA-N 330.300 1.257 0 40 EDAB O=C(NCCC(=O)N1CCCC1)Nc1ccc(N2CCCC2=O)cc1 69419055 PMZXXVRQZAZYBR-UHFFFAOYSA-N 344.415 1.947 0 40 EDAB O=C(NCc1ccco1)N1CCN(S(=O)(=O)c2ccccc2)CC1 17115098 TTXHCBIBSCTMEC-UHFFFAOYSA-N 349.412 1.496 0 40 EDAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@H]1C2 306125617 CVZXZEPLYIHNFI-CHWSQXEVSA-N 327.388 1.068 0 40 EDAB CC(=O)N[C@H](CC(=O)N1CCC(CC(N)=O)CC1)c1ccc(C)cc1 49394847 RVIQHJGOXFUGIF-QGZVFWFLSA-N 345.443 1.676 0 40 EDAB O[C@H](COc1ccc2c(c1)OCO2)CN1CCc2cncnc2C1 69571073 LEYWBUAWKJEFPV-ZDUSSCGKSA-N 329.356 1.003 0 40 EDAB CN(C)C(=O)CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 69533037 USFHTLUIXQDMNV-UHFFFAOYSA-N 349.284 1.378 0 40 EDAB COC(=O)c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C)(O4)[C@H]3C2=O)ccc1Cl 4156681 FCBUFYFFWZMHFV-SFDCBXKLSA-N 347.754 1.960 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCCN2Cc2nnc(C3CC3)n2C)n1 69872931 HELZRVVDNLWOSN-HNNXBMFYSA-N 329.452 1.956 0 40 EDAB CCOC(=O)CCCC1=C(c2[nH]c(=O)[nH]c2C)N2CCN=C2S1 4344113 HDEQOMQJTWLYES-UHFFFAOYSA-N 336.417 1.832 0 40 EDAB CCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCO)ccc12 5204700 SSELDUDYEFBPDU-UHFFFAOYSA-N 333.384 1.931 0 40 EDAB CCN(C)CCNC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1 65403901 PTZVAECYVSWHEW-UHFFFAOYSA-N 339.358 1.465 0 40 EDAB CCN1CCC[C@H]1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 14092934 DNJUHANCPAMJQM-ZDUSSCGKSA-N 328.416 1.456 0 40 EDAB COC(=O)C[C@@H](NC(=O)c1cnccn1)c1ccc(OC)c(OC)c1 14018455 RGEWGTBFOABLAJ-GFCCVEGCSA-N 345.355 1.528 0 40 EDAB CC(C)c1noc([C@H](C)n2nnc(-c3ccc(C(N)=O)cc3)n2)n1 65515587 JSJUJDGOAZMICR-VIFPVBQESA-N 327.348 1.555 0 40 EDAB O=C(CCN1CCOC1=O)OC[C@@H]1CN(Cc2ccccc2)CCO1 65576565 MFFJHBRNAZCXIS-INIZCTEOSA-N 348.399 1.273 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 69917527 PTIHAUUUJFAVAL-OCCSQVGLSA-N 336.461 1.480 0 40 EDAB COC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Cl)C1=O 66084114 TWSSUPFHEYIGLZ-HNNXBMFYSA-N 339.779 1.544 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 67139329 PKCBGQQGZLGMIG-NWDGAFQWSA-N 346.449 1.079 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)NC34CC5CC(CC(C5)C3)C4)cnc21 7159823 PHKACMJAEHGTMD-UHFFFAOYSA-N 341.415 1.215 0 40 EDAB C[C@H]1CN(C(=O)[C@H](C)S(=O)(=O)c2ncccc2Cl)C[C@@H](C)O1 110579254 IUBUIUOHOLGJBQ-AXFHLTTASA-N 346.836 1.533 0 40 EDAB O=C1NCCN(Cc2cc(=O)n3ccccc3n2)[C@@H]1c1cccs1 96443535 QXTUKKPASGTLRH-MRXNPFEDSA-N 340.408 1.429 0 40 EDAB Cn1cc(CCNC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cn1 96477063 UAYFXTILWCKUNC-LBPRGKRZSA-N 334.342 1.307 0 40 EDAB C[C@H]1CN(Cc2cccc(CNc3ccc4nnnn4n3)c2)CCO1 71827971 PZVPZAKXDKSPCR-ZDUSSCGKSA-N 339.403 1.352 0 40 EDAB COc1ccc(C[C@@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)cc1 71811019 QYOZOMMGYFZBDK-HNNXBMFYSA-N 343.427 1.300 0 40 EDAB CC(C)c1n[nH]c(C(=O)NCCS(C)(=O)=O)c1Br 71882392 DVZXILTVTLZAEI-UHFFFAOYSA-N 338.227 1.070 0 40 EDAB COc1cccc(CC(=O)N2CCN([C@H]3C[C@H](C)OC3=O)CC2)c1 71832818 NCHPDHRDQSPWHG-BBRMVZONSA-N 332.400 1.086 0 40 EDAB C[C@H](O)CN1CCN(C[C@H](O)c2cccc(Br)c2)CC1 71877168 MVMKQWFRORQBHG-WFASDCNBSA-N 343.265 1.481 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)NC2(C(=O)O)CCCCC2)CC1 83844124 HAWHZMTXOXMEGH-UHFFFAOYSA-N 325.409 1.284 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCCn1ccnc1 87060564 FMPXODIKRKMOPX-CYBMUJFWSA-N 331.424 1.652 0 40 EDAB C[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[C@H]1c1ccccc1 97032200 DPQAYIGLTRAAAV-GOEBONIOSA-N 338.473 1.920 0 40 EDAB CC1(C)CN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)CCO1 72295792 CJSBKFMTNXAJDQ-UHFFFAOYSA-N 343.387 1.168 0 40 EDAB CCN(CC(C)(C)O)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 72284398 CYPZNUOIPOUKTA-UHFFFAOYSA-N 349.474 1.091 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(-n2cncn2)c1 72285768 VIPVLZCBAFHTEP-INIZCTEOSA-N 335.367 1.094 0 40 EDAB CCNS(=O)(=O)c1ccc2c(c1)N(Cc1nc(C3CC3)n[nH]1)CC2 97109516 LJGRBPXAWSZHNI-UHFFFAOYSA-N 347.444 1.543 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc2ccccc2[nH]c1=O 97201171 ZWENNNRTGHKHHB-KRWDZBQOSA-N 334.379 1.335 0 40 EDAB Nc1nc(SC[C@@H]2Cn3c(nnc3-c3cccnc3)S2)n[nH]1 95465680 RBWYTIKRQBLHIM-QMMMGPOBSA-N 332.418 1.307 0 40 EDAB CN1CCCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 95450003 BNRPXEJKYNBIIB-UHFFFAOYSA-N 345.487 1.669 0 40 EDAB COc1ccccc1[C@H](O)Cn1cc(C(=O)n2nc(C)cc2C)nn1 98212436 QJLFFYZXRFUMQK-OAHLLOKOSA-N 341.371 1.522 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCCN(c2cnn(C)c2)C1=O 88559944 LGRFMFDNYPRNAL-UONOGXRCSA-N 343.435 1.194 0 40 EDAB CC[C@H](O)CCNC(=O)Nc1cc(F)ccc1N1CCN(C)CC1 95966983 URGQAILPLYSVIZ-AWEZNQCLSA-N 338.427 1.860 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(Cc2ccc([S@](C)=O)cc2)CC1 95982378 PMWJHZIMGGRJQR-LFPIHBKWSA-N 349.500 1.209 0 40 EDAB CCS(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1-n1cccc1 95940054 NUSDLVOGIBYLID-UHFFFAOYSA-N 339.392 1.836 0 40 EDAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)N(CC(=O)O)C2CC2)C1 95969891 OVVXHWYMOIBGNR-GFCCVEGCSA-N 325.409 1.236 0 40 EDAB OCC1(CN2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)COC1 89123410 ZPRWKLKWOGJRHR-UHFFFAOYSA-N 328.416 1.660 0 40 EDAB COc1ccc(OC)c([C@@H](O)CN2CCn3c(nnc3C3CC3)C2)c1 89432513 XHFCYXSZINJEQQ-HNNXBMFYSA-N 344.415 1.722 0 40 EDAB Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 89593950 VZBYBLQWVVPKBP-RWMBFGLXSA-N 349.412 1.886 0 40 EDAB Cc1nccc(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)n1 75148059 KKGIVFMXYOGQOD-UHFFFAOYSA-N 348.410 1.818 0 40 EDAB O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2c[nH]nn2)CC1 75138933 NIJBNBZZRPDXKC-UHFFFAOYSA-N 338.289 1.957 0 40 EDAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCO[C@H]([C@@H]2CCCO2)C1 89797940 FGFUWYLANMVLQL-HOTGVXAUSA-N 344.367 1.655 0 40 EDAB O=C(c1ccoc1)N1CCN(S(=O)(=O)CC2CCCC2)CC1 89885131 BGDYYXIDEFUMES-UHFFFAOYSA-N 326.418 1.557 0 40 EDAB O=C(COc1ccc(F)cc1F)N1CCC2(CC1)CNCCO2 1548503245 CYWHFZSFLLKNGG-UHFFFAOYSA-N 326.343 1.325 0 40 EDAB CC(=O)N1CCN([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 23652570 AOVOHCIYYHLSSV-SNVBAGLBSA-N 334.445 1.827 0 40 EDAB O=C(NCCc1nnc2ccccn12)NCc1ccc2c(c1)OCO2 31030808 WFXQPQVIUKVOAU-UHFFFAOYSA-N 339.355 1.500 0 40 EDAB Cc1nc(NC(=O)NS(=O)(=O)c2cccs2)nc(C)c1C 3848749 SFOVZJLBAVAWFK-UHFFFAOYSA-N 326.403 1.974 0 40 EDAB biogenic CN(C)CCNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 4575537 ZIULEJDBCUVBHS-GHRIWEEISA-N 338.411 1.530 0 40 EDAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3cc(C)n(C)n3)C2)n1 79475509 DGIBQXPOZBCAOG-AWEZNQCLSA-N 328.420 1.990 0 40 EDAB C[C@H]1CN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C[C@H](C)O1 38518063 UISUILQUCOLPGN-KBPBESRZSA-N 327.384 1.546 0 40 EDAB NC[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218058834 PUTKWDGOBAMMIB-JYJNAYRXSA-N 336.844 1.936 0 40 EDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc(F)c1 71980177 ZCOWHCDQTQUBSZ-AWEZNQCLSA-N 336.363 1.563 0 40 EDAB COc1nn(C)cc1C(=O)NCCc1nc(C)cc(C(F)(F)F)n1 75170671 OBTYVLKSRAXEKJ-UHFFFAOYSA-N 343.309 1.518 0 40 EDAB O=C(Cn1ccc2c(Cl)cccc21)N[C@H]1CCS(=O)(=O)C1 79485349 VMDIBSSKPTXLKI-JTQLQIEISA-N 326.805 1.598 0 40 EDAB O=C(Nc1ccccc1OC(F)F)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 35889640 RALRHHSCMSKXTK-KXNHARMFSA-N 325.267 1.881 0 40 EDAB O=C(N[C@H]1CCOc2ccc(F)cc21)[C@@H]1COCCN1CC(F)F 187658223 ZXSFFPHDXREIGR-STQMWFEESA-N 344.333 1.731 0 40 EDAB Cc1n[nH]c(=S)n1CCNC(=O)[C@H](C(C)C)N1CCCCC1 73942435 PVMPRPUISUDODC-ZDUSSCGKSA-N 325.482 1.876 0 40 EDAB N[C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc2c(c1)OCO2 72227688 ZOHWWEIOOLKOPL-IAGOWNOFSA-N 340.335 1.602 0 40 EDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)NC[C@@H](O)C1CCOCC1 76952496 YFRVARFQPLLSRG-MEDUHNTESA-N 342.386 1.983 0 40 EDAB CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1F 77844671 CYPOXXCMALCNGD-ANRSDYALSA-N 332.322 1.956 0 40 EDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1cccnc1=O 670841346 QFKXJUBATMKGQF-UHFFFAOYSA-N 335.791 1.871 0 40 EDAB Cc1ncn(CC(=O)NCc2cncc(-c3ccoc3)c2)c(=O)c1C 675008059 SOMZSLXINKCLEQ-UHFFFAOYSA-N 338.367 1.832 0 40 EDAB COc1ccc([C@H]2[C@@H](C(=O)N3CCOCC3)CCC(=O)N2C)cc1 72242017 RTWPZZLECKPBPW-RDJZCZTQSA-N 332.400 1.464 0 40 EDAB Cc1nccc(N2CCN(C(=O)NCc3nc(C)sc3C)CC2)n1 195562929 PGMIPGJJDYTFOU-UHFFFAOYSA-N 346.460 1.890 0 40 EDAB CC(C)CCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225722126 WWYIHYRUMMJEJT-UHFFFAOYSA-N 334.467 1.847 0 40 EDAB COCCCN(C)C(=O)N1CCN(c2ccncc2Cl)CC1 190804078 WICNUPZOSTUKTF-UHFFFAOYSA-N 326.828 1.945 0 40 EDAB NC(=O)c1cc(NC(=O)NC2CCN(CC(F)F)CC2)ccc1F 61750874 KZUUKTLVQWOXOC-UHFFFAOYSA-N 344.337 1.776 0 40 EDAB CC(C)C[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)O 49545215 YRSZEQIETAONCY-AWEZNQCLSA-N 335.404 1.128 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)c2nccnc2C(=O)O)CC1 85475692 SXULERUADOYAQZ-UHFFFAOYSA-N 340.383 1.441 0 40 EDAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCOCC2)cc1 225432096 HJOZUGCRLFENBN-NSHDSACASA-N 332.356 1.876 0 40 EDAB biogenic,in-vitro CCOCCCNC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 223356660 DRENGRMHOFTBNS-AWEZNQCLSA-N 328.434 1.162 0 40 EDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)n1cc(-c2ccccc2)cn1 227165609 IBIGPXZUAGJNSR-CYBMUJFWSA-N 326.400 1.835 0 40 EDAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(C[C@@H]1CCNC(=O)CC1)[C@@H]3C2 333593721 VLVCKKNYRBZIGL-CFAJVAMVSA-N 340.489 1.743 0 40 EDAB CNC(=O)N1CC[C@]2(COCc3cnc(NCc4ccco4)nc32)C1 96080366 OHHZKXJOVIHITH-QGZVFWFLSA-N 343.387 1.495 0 40 EDAB Cc1noc(C[C@H]2C[C@H]3CN(C(=O)Cc4ccccc4F)C[C@H]3O2)n1 96220310 XXHVRMRZPXEAMH-SQWLQELKSA-N 345.374 1.918 0 40 EDAB O=C(O)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)C2CC2)CC1 530165785 VHRXQJBLINYVQQ-AWEZNQCLSA-N 342.392 1.061 0 40 EDAB CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1 96056399 KCNUGKALWMXDSA-MGPQQGTHSA-N 339.461 1.370 0 40 EDAB O=C(COCc1nc(-c2cccnc2)no1)NCc1cccnc1 96182091 MCMPGJTZUDHPJX-UHFFFAOYSA-N 325.328 1.360 0 40 EDAB CN1CCC(N2C[C@@H]3Oc4cc(F)ccc4C(=O)N(C)[C@@H]3C2)CC1 514288707 VZLIYOGKXKWIMQ-WBVHZDCISA-N 333.407 1.437 0 40 EDAB biogenic,in-vitro c1cncc(COCc2nnc3n2CCN(Cc2ccco2)C3)c1 96259061 LMNDCVLGAPGUJL-UHFFFAOYSA-N 325.372 1.999 0 40 EDAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 96090643 XETPJFNCRYBGDU-CALCHBBNSA-N 343.452 1.834 0 40 EDAB C[C@@H](CCn1cncn1)NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 96485904 SSMJNXTVFZJLTG-NWDGAFQWSA-N 348.373 1.335 0 40 EDAB COCCN1CCOCC12CCN(C(=O)Cc1ccsc1)CC2 96226170 SHAGMIIOGIYRJE-UHFFFAOYSA-N 338.473 1.630 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)NCCc1nc2c(s1)CCCC2 95451687 CNJVIUIRIXMMCW-NSHDSACASA-N 334.449 1.544 0 40 EDAB O=C([C@H]1CN(Cc2cccs2)Cc2ccnn2C1)N1CCOCC1 96188811 XQDIGDVYQQYHIW-AWEZNQCLSA-N 346.456 1.435 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 96426804 LMDDMKNBQLJXNN-NEPJUHHUSA-N 336.354 1.815 0 40 EDAB CCn1nc(C)c(CNC(=O)NCC[S@@](=O)C(C)(C)C)c1C 96408882 ALMNXACDSCHGGF-QFIPXVFZSA-N 328.482 1.866 0 40 EDAB CN1CCC2(CC1)CN(C(=O)N1CCOCC1)Cc1ccccc12 96242405 QKMVHCKJVDPYPO-UHFFFAOYSA-N 329.444 1.918 0 40 EDAB COC(=O)[C@@H](NC(=O)CSC[C@H]1CCCCO1)c1cccnc1 579252087 SQJBAWQTNPTMOG-HIFRSBDPSA-N 338.429 1.714 0 40 EDAB Cc1nc(N2CCCC2)nc(C)c1NC(=O)COc1ncccn1 96120726 XRVHXOBTTLWWCE-UHFFFAOYSA-N 328.376 1.501 0 40 EDAB COCCO[C@H]1CCN(Cc2ccccn2)[C@H]1Cc1cnn(C)c1 96061643 SSVZIQBEFLSIQQ-ROUUACIJSA-N 330.432 1.664 0 40 EDAB CNS(=O)(=O)C[C@@H]1CCCN1c1ccc(Br)cn1 96455847 HXDMXTBNOOHECL-JTQLQIEISA-N 334.239 1.362 0 40 EDAB CN(C)CCN1CCOC[C@]2(C1)CN(Cc1ccsc1)CCO2 96229385 GAOWKCAYUZYYON-KRWDZBQOSA-N 339.505 1.213 0 40 EDAB O=S(=O)(CCN1CCO[C@H](c2nccs2)C1)c1ccccc1 97203676 JVZYUWFSMSMETH-AWEZNQCLSA-N 338.454 1.990 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@H](CNC(=O)c4ccco4)CC[C@@H]32)cn1 248158172 WGUDOSHJBBSDQT-YQQAZPJKSA-N 344.415 1.423 0 40 EDAB Cc1ccc(CN2CC3(C[C@H](OCC(=O)N(C)C)CCO3)C2)s1 247972405 HXAPNDAEROTMSQ-CQSZACIVSA-N 338.473 1.895 0 40 EDAB CNC(=O)c1cc(C[C@H]2CCCN(c3ccncn3)CC2)ncn1 257286531 PLYFMLYYFRDISF-ZDUSSCGKSA-N 326.404 1.475 0 40 EDAB CO[C@H]1CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)C[C@@]12CCCO2 257312300 UNHFRIWANLEICW-JSGCOSHPSA-N 347.337 1.849 0 40 EDAB CN1CCC[C@@H](C(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 253369285 APOTXYFRFZVBNI-MOPGFXCFSA-N 345.487 1.601 0 40 EDAB CCCn1nccc1-c1cc(C[C@H]2CCN(S(C)(=O)=O)C2)ncn1 257272713 NDMUWTSSEAKPCJ-CYBMUJFWSA-N 349.460 1.574 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)c3ccnnc3)CCO2)ccn1 257273084 NFEQXKXIUKCFBZ-MRXNPFEDSA-N 341.415 1.411 0 40 EDAB NC(=O)c1sc2nccnc2c1C1CCN(c2ncccn2)CC1 257280184 OJVVAGJYYOVTFI-UHFFFAOYSA-N 340.412 1.964 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)CCN1C(C)C 257341774 ZLXPSOLVHAGCDZ-INIZCTEOSA-N 332.448 1.033 0 40 EDAB COC(=O)[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccsc1 252495756 OZDDPBUXSZAWTQ-WDEREUQCSA-N 340.430 1.920 0 40 EDAB COc1ccc(S(=O)(=O)N2CCO[C@@H](c3cnccn3)C2)cc1 257277306 NXJDXQWUHVKXCY-OAHLLOKOSA-N 335.385 1.247 0 40 EDAB Cc1ccc(CN2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)s1 257269329 MPMUEZLNMBBLRE-HOTGVXAUSA-N 336.457 1.647 0 40 EDAB Cc1nc(N(C)[C@H](CCO)c2ccccc2)sc1S(N)(=O)=O 253392728 FUCVXCYZJVXNHA-GFCCVEGCSA-N 341.458 1.659 0 40 EDAB CO[C@@H](CN1CC[C@@H](S(=O)(=O)NC(C)C)C1)c1ccccc1 252483002 DSEPMBBLYYXZMU-CVEARBPZSA-N 326.462 1.776 0 40 EDAB CN(C)[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 604382104 DNRNMGOXCLMHRN-BRSBDYLESA-N 327.428 1.606 0 40 EDAB biogenic,in-vitro C[C@@](Cn1cnc2ccccc21)(NC(=O)C[C@H]1CCOC1)C(=O)O 1604246474 CIDDGWPANXHGPP-PXAZEXFGSA-N 331.372 1.422 0 40 EDAB Cc1c(NC(=O)CCNS(C)(=O)=O)cccc1N1CCCCC1 1615614249 FJVAWQMLLPUNEC-UHFFFAOYSA-N 339.461 1.863 0 40 EDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)COc1ccc2c(c1)CCC(=O)N2 607321951 UUVNECDWLHMOID-XWIAVFTESA-N 344.411 1.880 0 40 EDAB CC(C)(C)c1sc(C(=O)O)cc1S(=O)(=O)N1CC(C(=O)O)C1 1615572249 QWPCDZZLKBWFCW-UHFFFAOYSA-N 347.414 1.449 0 40 EDAB COc1ccc(CCS(=O)(=O)NC[C@]2(OC)CCSC2)cc1 96097687 LGEOAVBWTSPBNW-OAHLLOKOSA-N 345.486 1.679 0 40 EDAB CC(C)CS(=O)(=O)C1CN(S(=O)(=O)CCc2ccccc2)C1 96122026 GBGGGOKSYFNIFF-UHFFFAOYSA-N 345.486 1.314 0 40 EDAB CC(=O)N1CCC(C(=O)NCc2nccnc2-c2ccco2)CC1 390832052 WWEVTLGKMMHQSN-UHFFFAOYSA-N 328.372 1.611 0 40 EDAB COCC(=O)N1Cc2cccn2C[C@H](OCc2cccc(C)n2)C1 575404086 LJDVZLADUCQAJO-KRWDZBQOSA-N 329.400 1.766 0 40 EDAB O=C(c1cc[nH]n1)N1CC2(C[C@H](OCc3ccncc3)CCO2)C1 575403659 IZBOYRLJQXUKDD-CQSZACIVSA-N 328.372 1.395 0 40 EDAB Cn1cnc2c1C[C@@H](COCc1ccncc1)N(Cc1cn[nH]c1)C2 585094959 XBQUILVJMKJEFY-INIZCTEOSA-N 338.415 1.682 0 40 EDAB NC(=O)c1cccc2c1CCN(C(=O)NC[C@H]1CCN1C1CC1)C2 685938994 VHWXSSMSAJGUEY-CQSZACIVSA-N 328.416 1.090 0 40 EDAB Cc1sc2ncn(CC(=O)N3CCO[C@H]4CCC[C@@H]43)c(=O)c2c1C 56193638 YULYACIHIQEGBF-STQMWFEESA-N 347.440 1.855 0 40 EDAB CCCS(=O)(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 58368853 NOKWVUXKIFAOCK-HNNXBMFYSA-N 330.425 1.528 0 40 EDAB Cc1ccc2cc(C(=O)NCCn3nc4ccccn4c3=O)[nH]c2c1 58304805 FQSCGYRAMXGVMU-UHFFFAOYSA-N 335.367 1.716 0 40 EDAB Cc1cccc(CNC(=O)NCC(=O)N(C)CCc2ccccn2)c1 67041636 BESJROIYGWISTH-UHFFFAOYSA-N 340.427 1.890 0 40 EDAB O[C@H](COc1ccccc1)CN1CCN(Cc2cscn2)CC1 68333891 IEEXCSOVBWOFPY-INIZCTEOSA-N 333.457 1.701 0 40 EDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cccc2c1OCCO2 69491972 WYMLRRNYCMPGCZ-IUODEOHRSA-N 335.356 1.469 0 40 EDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(S(C)(=O)=O)CCCC1 69538671 CPJIUCLKTOIOEU-GJZGRUSLSA-N 342.505 1.819 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)COc1ccccc1 69738485 WVIIFAKUTQYZIQ-YTQUADARSA-N 332.444 1.902 0 40 EDAB CN(CC(C)(C)O)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 96005516 AFVBSNLBTMJTFP-AWEZNQCLSA-N 346.493 1.200 0 40 EDAB O=S(=O)(C1CC1)N1CCCN(c2ncnc3ccccc23)CC1 565821855 XSYZGAIJZASAKY-UHFFFAOYSA-N 332.429 1.634 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 661175671 ACOBZZJPSKFIAX-CALCHBBNSA-N 339.395 1.908 0 40 EDAB CC(=O)CCC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161126 VILYJSVYMFMUBP-IBGZPJMESA-N 344.411 1.780 0 40 EDAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1nnc2c(=O)[nH]ccn12 1616037921 IKSROUFKSCRARW-CYZMBNFOSA-N 329.404 1.811 0 40 EDAB CC(C)(C)c1ccc(OCC2CCN(S(C)(=O)=O)CC2)nn1 1775965751 FKVLHVMJMYXMNR-UHFFFAOYSA-N 327.450 1.825 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(C)nn2C)[C@H](CO)[C@@H]1CN(CC)CC 1772594876 CRXJJYCQPBYZFG-BFYDXBDKSA-N 336.480 1.529 0 40 EDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1cccc(F)c1 12486833 RDUWJGPIUSVVRO-AUWJEWJLSA-N 338.360 1.744 0 40 EDAB CC[C@H](C(=O)NCCOC)N(c1cccc(Cl)c1)S(C)(=O)=O 13711905 ZBIFQBBHNCARSC-CYBMUJFWSA-N 348.852 1.647 0 40 EDAB CCc1cc(=O)[nH]c([C@@H]2CCCN2C(=O)CCc2cc(OC)no2)n1 19522528 OLTIRZYVZQBJBR-ZDUSSCGKSA-N 346.387 1.625 0 40 EDAB COc1ccc([C@@H](CC(N)=O)N(C)S(=O)(=O)c2ccccc2)cc1 19935739 YCZPABLQTJZKPU-MRXNPFEDSA-N 348.424 1.932 0 40 EDAB O=C1CC[C@@H](N2CCN(Cc3cccc4c3OCCO4)CC2)CCN1 575603203 PEKRLGZEGXTOLP-MRXNPFEDSA-N 345.443 1.244 0 40 EDAB CC(C)CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccn(C)c2=O)C1 585146950 YBCUOMJZYBRHNA-CYBMUJFWSA-N 340.445 1.061 0 40 EDAB COCCNC(=O)COc1cccc(I)c1 9155396 QYMDJMKIHQOPET-UHFFFAOYSA-N 335.141 1.433 0 40 EDAB O=C1[C@@H]2CN(c3ncnc4cnccc34)C[C@H]2C(=O)N1c1ccccc1 1888890975 BRFCYMBSAAGJQQ-HUUCEWRRSA-N 345.362 1.651 0 40 EDAB O=C(c1ccc2nn[nH]c2c1)N1C[C@H]2CN(c3nccs3)C[C@H]2C1 1888910360 OGNONEGPGCGUAS-TXEJJXNPSA-N 340.412 1.623 0 40 EDAB O=S(=O)(Cc1ccc(F)cc1)N1CCN(Cc2ccncc2)CC1 25368593 WRZIDIUTGUJGHU-UHFFFAOYSA-N 349.431 1.868 0 40 EDAB COc1cccc2cc(C(=O)N3CC[C@H](c4ncon4)C3)c(=O)oc12 238825189 DORQOCCCENJJOR-NSHDSACASA-N 341.323 1.814 0 40 EDAB COc1cnc(C(=O)N2CC3(C[C@H](NCC4CC4)CS3)C2)cn1 2056223950 IRDSJLFOQVNLIT-LBPRGKRZSA-N 334.445 1.185 0 40 EDAB O=C(N[C@H]1CCC12CCN(C(=O)[C@@H]1CCOC1)CC2)c1cnccn1 2055803585 MRUCVWJVKMDTLY-HIFRSBDPSA-N 344.415 1.014 0 40 EDAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(C)on1 206794071 XIDDPBIBELNNBH-SMDDNHRTSA-N 348.330 1.957 0 40 EDAB O=S(=O)(NCCn1ccn2nccc12)c1ccc(F)c(Cl)c1 206746654 MAQGSZGDFPYCFY-UHFFFAOYSA-N 342.783 1.907 0 40 EDAB COc1nc(CNC(=O)c2cc3ccccc3o2)nc(N(C)C)n1 575608311 SHXJGHJBPLYAOO-UHFFFAOYSA-N 327.344 1.622 0 40 EDAB COc1ccc(C(=O)N2CC(Nc3cccnn3)C2)c(OC)c1OC 618255713 IBYGKUWDSPFBSK-UHFFFAOYSA-N 344.371 1.439 0 40 EDAB CN(C)C(=O)CSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1 5100166 HDYVTXBAKIYPOD-LBPRGKRZSA-N 345.428 1.974 0 40 EDAB CNC(=O)c1cc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)ccc1F 102716603 VGSHKCVVVNTONZ-CYBMUJFWSA-N 332.379 1.663 0 40 EDAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)Cc1cn(C)c2ccccc12 111142744 AKIQDKUPMSYVKT-XJKSGUPXSA-N 330.384 1.510 0 40 EDAB CN1N=C(C(=O)Nc2cccc(CN3CCCC3=O)c2)CCC1=O 30128047 ZBFQJEHDPBPXPF-UHFFFAOYSA-N 328.372 1.356 0 40 EDAB COC(=O)[C@](NC(=O)c1ccco1)(C(C(C)=O)C(C)=O)C(F)(F)F 100150103 MWXBWVKWSSXGEW-CYBMUJFWSA-N 349.261 1.278 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N2c3ccccc3C[C@@H]2C)no1 40528847 XQRQXZRIKAWOPF-NSHDSACASA-N 334.397 1.876 0 40 EDAB O=C(COCc1nc2ccccc2s1)N[C@H]1CCCCNC1=O 40521569 UCUYJMYHXLXCRG-LBPRGKRZSA-N 333.413 1.598 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)C1 45824278 XOHZQCMXBYQSAF-RKVPGOIHSA-N 348.443 1.688 0 40 EDAB O=S(=O)(NCCN1CCC[C@@H]1Cn1cccn1)c1ccccc1 69740143 DQAAWVWFUGABPO-OAHLLOKOSA-N 334.445 1.326 0 40 EDAB COCCOCCCC(=O)N[C@H](c1nnc2ccccn12)C(C)C 60360062 BEQDNCKRXBMYHW-INIZCTEOSA-N 334.420 1.986 0 40 EDAB CNC(=O)OCc1nc(-c2ccccc2)n(C)c1COC(=O)NC 1579410 YGCLZYPBBIZYLH-UHFFFAOYSA-N 332.360 1.799 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2CCC(CN3CCOCC3)CC2)cc1 51958330 XUYNIIFKOPJYRB-IBGZPJMESA-N 348.487 1.779 0 40 EDAB CCNC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 6953784 QRIKNBOJMXWFGC-ZHACJKMWSA-N 334.397 1.907 0 40 EDAB C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2C(N)=O)C[C@@H](C)O1 7022594 IVEGBXSMUJGCGF-NXEZZACHSA-N 326.780 1.454 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC(NS(C)(=O)=O)C3)C2)c(C)o1 108526237 XMDBXEMVMFUBJU-UHFFFAOYSA-N 326.418 1.440 0 40 EDAB O=C([C@H]1CSCN1S(=O)(=O)N1CCCCCC1)N1CCCC1 69416998 AZLGHLNOODRCGK-CYBMUJFWSA-N 347.506 1.105 0 40 EDAB O=C(c1ccncc1)N1CCO[C@H]2CCN(Cc3ccccn3)C[C@@H]21 108532239 ZBZRTSQPIWGMFK-ROUUACIJSA-N 338.411 1.592 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3sccc3C)CC2)no1 10807624 NZPKRRDMHPZCFS-UHFFFAOYSA-N 348.428 1.749 0 40 EDAB C[C@@H](OC(=O)c1ccc(-n2cncn2)nc1)C(=O)NC1CCCCC1 32905730 XTBXAUCHOMQYKC-GFCCVEGCSA-N 343.387 1.657 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1C 33028370 VKRTZMPQGWMIMN-HNNXBMFYSA-N 333.432 1.771 0 40 EDAB CC(=O)NCC1CCN(C(=O)NC[C@@H]2Cc3ccccc3O2)CC1 46876410 GHSFJKIHTQYHEF-INIZCTEOSA-N 331.416 1.548 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)c1cccnc1N1CCOCC1 33117214 GUURRANVJMKVAX-HNNXBMFYSA-N 339.395 1.652 0 40 EDAB Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@@H]2CCCNC2=O)c1 69770637 YSBJNUZVUPWVHW-IAGOWNOFSA-N 329.444 1.744 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N(C)Cc1ccc2c(c1)OCCO2 47027741 PBQSHMWGKWAFBA-ZDUSSCGKSA-N 330.388 1.884 0 40 EDAB CC(=O)N1CCCN([C@H]2CN(CCc3ccccn3)C[C@@H]2C)CC1 89937259 WEFDVTLIXPQBGT-LPHOPBHVSA-N 330.476 1.499 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N(C)C[C@@H]1COc2ccccc2O1 47027691 NTHDVRPCFOUHHG-UONOGXRCSA-N 330.388 1.753 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCCn1cncn1 41862770 XDHINBOVBIIYSC-QGZVFWFLSA-N 339.399 1.749 0 40 EDAB C[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)S(=O)(=O)c1ccc(F)cc1 47195151 SJJUYIALRMTKQG-SNVBAGLBSA-N 347.371 1.925 0 40 EDAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)C1=CN2CCS(=O)(=O)N=C2C=C1 104089496 AILDGIMTUSROOC-SGMGOOAPSA-N 335.429 1.036 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3scnc3Cl)CC2)n1 54098168 JGBIVZGOBHXYNV-UHFFFAOYSA-N 339.808 1.558 0 40 EDAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cnn(C)c2)c1 75584612 QZQHDYBMNIVKTR-UHFFFAOYSA-N 329.765 1.661 0 40 EDAB C[C@H](C(=O)Nc1nccs1)N1CCC(Nc2cccnn2)CC1 105805301 QGXROIBZVBQZJR-LLVKDONJSA-N 332.433 1.837 0 40 EDAB CCc1noc(CCCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 76051894 GGGGTKKCZYZFID-UONOGXRCSA-N 336.436 1.134 0 40 EDAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2ccccc2)CC1 106522930 ZUDVCIWWXXBEDT-ZOBUZTSGSA-N 348.468 1.956 0 40 EDAB CN1C(=O)c2ccc(C(=O)N3CCn4c3nc3ccccc34)cc2C1=O 12540623 DVUBXNMVFIJOBA-UHFFFAOYSA-N 346.346 1.923 0 40 EDAB COC(=O)C1(NC(=O)c2ccnc(-n3cncn3)c2)CCCCCC1 55983054 CDEDPHYMWVQSGR-UHFFFAOYSA-N 343.387 1.658 0 40 EDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H]1CCCOC1)C2=O 55920764 WHOQLRNYXRCWBI-UIORMTCPSA-N 337.420 1.030 0 40 EDAB Cc1cc(C)n(CCN2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)n1 78899288 QTVYBJAYKXJGDH-WMLDXEAASA-N 333.436 1.152 0 40 EDAB CCN(CC)S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1718256 XJQLFHDLWVIMMF-UHFFFAOYSA-N 338.433 1.483 0 40 EDAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H]1CCCO1 27394285 QVTNHMKOACSJHW-CABCVRRESA-N 336.457 1.833 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H]1CCS(=O)(=O)C1 44723491 CFLUWVBTQVRXLJ-ZDUSSCGKSA-N 348.424 1.743 0 40 EDAB COC(=O)[C@H]1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 27562576 QKTATHNMXAOJNC-CYBMUJFWSA-N 335.791 1.875 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)o1 58185494 CEVDDFRFCZZCGL-MRXNPFEDSA-N 347.396 1.733 0 40 EDAB O=C(Nc1ccc(N2CCCC2=O)cc1)N[C@@H]1CCS(=O)(=O)C1 58281171 VAINUJWRAXAJJA-GFCCVEGCSA-N 337.401 1.122 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCCC2)nc1 48083348 LLOWGSHUETYBPU-GFCCVEGCSA-N 338.433 1.238 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(-c2nncn2C)c1 44977403 QBTQQZDKEVYARM-NSHDSACASA-N 339.355 1.832 0 40 EDAB COc1ncccc1NC(=O)NC[C@@H](O)COc1cccc(F)c1 44969934 JSLGAFICYGOLHE-GFCCVEGCSA-N 335.335 1.791 0 40 EDAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCc3ccccc3)ccc21 44901119 DUMFILVUANBHSU-UHFFFAOYSA-N 338.367 1.132 0 40 EDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(F)c(F)c1 44948387 DJGCOCQJNJUDAJ-UWVGGRQHSA-N 333.356 1.422 0 40 EDAB c1cc2n(n1)C[C@@H](CNCc1ccc(CN3CCOCC3)cc1)CN2 58305840 ZDRYUOPOMZHNDQ-SFHVURJKSA-N 341.459 1.547 0 40 EDAB C[C@H](NC(=O)CNC(=O)c1cc(-c2ccccc2)on1)[C@H]1CCCO1 58343415 WECDQBYWYFTLNS-SWLSCSKDSA-N 343.383 1.755 0 40 EDAB CCc1cccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCCN3C2=O)c1 58441287 YITSHZIXNGBJOT-GOEBONIOSA-N 332.400 1.805 0 40 EDAB O=C(NCCCOC[C@H]1CCCO1)NC[C@@H]1Cc2ccccc2O1 45160983 XVNBBWIBZHICGP-CVEARBPZSA-N 334.416 1.875 0 40 EDAB COCc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1 36354936 HJSIFDQMTXQNQC-UHFFFAOYSA-N 331.357 1.033 0 40 EDAB C[C@@H]1CCc2onc(C(=O)N3CCN(c4ncccn4)CC3)c2C1 20572065 BIVHHPVHKJAGFJ-GFCCVEGCSA-N 327.388 1.552 0 40 EDAB CCOC[C@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 62184662 PFUFBWFWECSEHF-AWEZNQCLSA-N 344.411 1.948 0 40 EDAB O=C(NCc1cn2ccccc2n1)[C@@H]1CC(=O)N(C2CCCC2)C1 28833955 SALBXALJUTYYHS-CYBMUJFWSA-N 326.400 1.742 0 40 EDAB CCc1noc(C)c1C(=O)OCC(=O)NC(=O)c1ccccc1OC 12868016 GMAJTYYTLFSSJU-UHFFFAOYSA-N 346.339 1.667 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 12856522 JFPLZLVHTHUEMA-RDTXWAMCSA-N 332.400 1.764 0 40 EDAB C[C@H]1CN(C(=O)[C@H](C)N2CCN(c3ccccn3)CC2)C[C@@H](C)O1 13096975 FZWORDPGIZRVHX-XHSDSOJGSA-N 332.448 1.228 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)CCc3c(C)nc(C)[nH]c3=O)C2)c1 69581853 SIVIYQFGCZVTKC-OAHLLOKOSA-N 343.431 1.688 0 40 EDAB O=C(COc1ccccc1F)N1CCN(C(=O)CC(F)(F)F)CC1 64068312 WZXNWEHBWWYDIQ-UHFFFAOYSA-N 348.296 1.828 0 40 EDAB C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@H](c2ccccc2)C1 69621376 LILSQMVATMOMRT-KBMXLJTQSA-N 336.457 1.168 0 40 EDAB O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1cccc(C(F)(F)F)c1 13687859 YHBQPSLLOPKQLH-VIFPVBQESA-N 325.250 1.819 0 40 EDAB COc1ccc(-c2nc(CNC(=O)Cn3nc(C)cc3C)n[nH]2)cc1 69810108 FOAASYOWOUPRML-UHFFFAOYSA-N 340.387 1.610 0 40 EDAB Cc1cccc2c(=O)cc(C(=O)N3CCOC34CCN(C)CC4)oc12 13722671 RYCTVOQOYFCYRX-UHFFFAOYSA-N 342.395 1.996 0 40 EDAB Cc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)N1CCc3ccccc3C1)CC2 69951272 LGKJAHKWUIGYCN-GUYCJALGSA-N 339.443 1.464 0 40 EDAB CN1CCN(CCCN(C)S(=O)(=O)c2cccc(F)c2F)CC1 69946908 ZPUQCNRFNGSHIM-UHFFFAOYSA-N 347.431 1.223 0 40 EDAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc(CCC(=O)O)cc1 5134418 RSOPGVZXFUWIRI-UHFFFAOYSA-N 348.380 1.604 0 40 EDAB CC(C)[C@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)N1CCCC1 65412606 NZOMXCSSXVCMON-HNNXBMFYSA-N 339.461 1.184 0 40 EDAB COC(=O)C(C)(C)NC(=O)c1nnn(-c2ccc(OC)cc2)c1C 65403040 ICNJRFSLXBFYOJ-UHFFFAOYSA-N 332.360 1.266 0 40 EDAB O=C(Cn1nnc(-c2cccs2)n1)NC1CCN(C2CC2)CC1 65439853 ZZGSJJGCWBVTGI-UHFFFAOYSA-N 332.433 1.145 0 40 EDAB Cc1ccc([C@H](C)NC(=O)N2CCC(NS(C)(=O)=O)CC2)o1 65444291 DBMAQRAEJSPEHB-NSHDSACASA-N 329.422 1.372 0 40 EDAB CCCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)O 4424471 XMKXORPXRBAWHN-NSHDSACASA-N 329.374 1.380 0 40 EDAB CCCCN(C(=O)c1cnoc1C)c1c(N)n(CCC)c(=O)[nH]c1=O 14162784 BEASFCUWYGRUKD-UHFFFAOYSA-N 349.391 1.272 0 40 EDAB CN(C(=O)NCc1ncn(C)n1)[C@H]1CCCN(c2ccccc2)C1=O 92377220 XVCAJYJPYAAWJQ-AWEZNQCLSA-N 342.403 1.152 0 40 EDAB C[C@H](NC(=O)CC1CCCCC1)C(=O)NCc1n[nH]c(=S)n1C 66626246 WPFOGEMVHZLKAG-JTQLQIEISA-N 339.465 1.569 0 40 EDAB O=C(O)c1cc(S(=O)(=O)Nc2ccncc2Cl)ccc1O 6800754 JWBKRXKFQWNYPP-UHFFFAOYSA-N 328.733 1.940 0 40 EDAB CCc1ccc2nc(NC(=O)Cn3ccc(=O)[nH]c3=O)sc2c1 6939633 RRLCGUSMPVSMOA-UHFFFAOYSA-N 330.369 1.347 0 40 EDAB COc1ccc(CCNC[C@H](O)COC[C@@H]2CCCO2)cc1OC 6937413 RYALUNFXALENPN-HOTGVXAUSA-N 339.432 1.392 0 40 EDAB NC(=O)c1ccsc1NC(=O)CN(CCO)Cc1ccccc1 70927318 COBHKRGSXXQROK-UHFFFAOYSA-N 333.413 1.280 0 40 EDAB COC(=O)Cn1ccc(NC(=O)CSc2nc(C)cc(C)n2)n1 67925015 UUQYVQKQJVPQBX-UHFFFAOYSA-N 335.389 1.194 0 40 EDAB O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cnccn1 68147328 AHKUBGWWFJMKAD-UHFFFAOYSA-N 336.348 1.408 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc2c(c1)OCCO2 68373067 PCQBIVQUDNBJNZ-NWDGAFQWSA-N 335.404 1.560 0 40 EDAB C[C@@](N)(Cc1ccccc1)C(=O)N1CCC(N2CCSCC2)CC1 71311770 VQNUTHOSKDVGJE-LJQANCHMSA-N 347.528 1.986 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)cc1 16498595 RXAPHKVJPJPRFI-UHFFFAOYSA-N 327.384 1.287 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 16582797 QNZZNVNNIRQMCC-HIFRSBDPSA-N 345.399 1.562 0 40 EDAB Cn1c(CNC(=O)CN2C(=O)c3ccccc3C2=O)nc2ccccc21 8012842 CLAPZLZYKWKYNU-UHFFFAOYSA-N 348.362 1.486 0 40 EDAB C/C(=C\C(=O)NCCCN1C(=O)C(=O)N(C)C1=O)c1ccc(F)cc1 96190017 ANABRLADQKOEMC-ZHACJKMWSA-N 347.346 1.156 0 40 EDAB CCN1C(=S)N(c2ccc(F)cc2F)[C@@H]2CS(=O)(=O)C[C@@H]21 9420653 AXANPUGMFMSGEH-NWDGAFQWSA-N 332.397 1.557 0 40 EDAB COC(=O)[C@H](O)C1CCN(C(=O)c2sc(C(C)C)nc2C)CC1 84062072 ROFSNCZXHHGVHT-GFCCVEGCSA-N 340.445 1.961 0 40 EDAB C[C@H](c1cccnc1)N1CCN(C(=O)Nc2cccn(C)c2=O)CC1 96435124 OITUDGDAYVRCJI-CQSZACIVSA-N 341.415 1.691 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)c2cnccn2)cc1 71886509 UCIJGDBGTCAIGV-UHFFFAOYSA-N 347.440 1.978 0 40 EDAB O=C(CN1CCn2c(nnc2C2CC2)C1)N1CCO[C@H]2CCCC[C@H]21 71880288 IJKUICYDMJGQAW-CABCVRRESA-N 345.447 1.141 0 40 EDAB CC1CCN(C[C@H](O)CN[C@@H]2CCCN(c3cccnn3)C2)CC1 71876878 VXGVIFHGWRVZIO-IAGOWNOFSA-N 333.480 1.128 0 40 EDAB CC[C@@H](C)[C@@](C)(O)CNC(=O)CCN1C(=O)c2ccc(C)cc2C1=O 71916771 WJERDDGUMJYFFN-YJYMSZOUSA-N 346.427 1.894 0 40 EDAB O=C(NCc1cccnc1)NCc1ccccc1CN1CC[C@@H](O)C1 97081118 JSQLHEUBJUQQLX-GOSISDBHSA-N 340.427 1.648 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCc2nnc(NCC)cc2C1 72279575 VDKJPUXVUYASCS-LLVKDONJSA-N 340.449 1.006 0 40 EDAB O=C(CCNC(=O)OCC(F)(F)F)Nc1ccc2nccn2c1 72283760 PIHRXEFXDUQTBN-UHFFFAOYSA-N 330.266 1.951 0 40 EDAB O=C(NCCc1ccccc1)[C@@H]1CCN1S(=O)(=O)c1ccccc1 97134226 ANVVCBHBDALARE-KRWDZBQOSA-N 344.436 1.809 0 40 EDAB COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 72301635 BTWOHTSYPYJKCH-GUTXKFCHSA-N 335.404 1.980 0 40 EDAB CN(C)CC[C@H](Nc1nc(N)nc2c1CCNCC2)c1ccccc1 72447065 QGLHFMSJOAXNBK-INIZCTEOSA-N 340.475 1.852 0 40 EDAB COC(=O)Cc1nn(-c2ccc(Cl)cc2)c2c1nnc1ccnn12 72461533 IRXCUUPZDLVBJO-UHFFFAOYSA-N 342.746 1.832 0 40 EDAB CN1C(=O)N[C@](C)([C@H]2CCCN(CCOCC(F)(F)F)C2)C1=O 84668092 QWHRCCQUORYTJU-GXFFZTMASA-N 337.342 1.218 0 40 EDAB CC1(C)CN(C(=O)[C@H](N)CCS(C)(=O)=O)C[C@@H]1c1ccccc1 95466874 JTKGIKSJTQESSV-HUUCEWRRSA-N 338.473 1.401 0 40 EDAB CCN(CC)C(=O)N1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 95411670 JMHIGSUYJWHVFO-ZDUSSCGKSA-N 333.436 1.436 0 40 EDAB CN(C)Cc1ccccc1CNC(=O)CNC(=O)c1ccc(F)cc1 9917546 ASDZJTDPOYVHEO-UHFFFAOYSA-N 343.402 1.934 0 40 EDAB COC(=O)c1cncc(NS(=O)(=O)c2cc(F)ccc2F)c1 89404391 RAOMCBUVYLZSRJ-UHFFFAOYSA-N 328.296 1.947 0 40 EDAB Cc1c(I)cccc1C(=O)NCCC(N)=O 89540367 BUBDTHSELFWAAH-UHFFFAOYSA-N 332.141 1.205 0 40 EDAB C[C@H](O)CN1CCN(C[C@H](O)c2ccccc2C(F)(F)F)CC1 75132626 HEKSZAGDUOZLMW-WFASDCNBSA-N 332.366 1.737 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CCNc2ncccn2)n1 75129871 TUHREGNDKZDDGC-OAHLLOKOSA-N 328.420 1.783 0 40 EDAB Cn1cnnc1NC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3 547665587 JEAYFFHPKITVHT-UHFFFAOYSA-N 344.400 1.585 0 40 EDAB Cc1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)c(C)n1 548173519 NSNAVKXGSZCJBT-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB CC[C@@H](NC(=O)N1CCO[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 78447479 IIRWKDJHZZEHJR-SMDDNHRTSA-N 341.433 1.215 0 40 EDAB CCOC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@H]1c1ccncc1 37866320 ODGVPJVFSBILQO-CYBMUJFWSA-N 341.367 1.346 0 40 EDAB O=C(CN1C(=O)N2CCCN=C2c2ccccc21)NCc1ccco1 72335717 LJQFXXKYHSMUOD-UHFFFAOYSA-N 338.367 1.988 0 40 EDAB CNC(=O)c1ccc([C@H]2CN(Cc3scnc3C)CCO2)nc1 72388104 LMDCVTONQFNYIP-CQSZACIVSA-N 332.429 1.780 0 40 EDAB CS(=O)(=O)N1CC[C@H](c2ccc(Br)cc2)[C@@H](O)C1 2362797611 UFKCHRQWLNRMQW-NEPJUHHUSA-N 334.235 1.559 0 40 EDAB CCN1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1 78926050 BXPLZHCPFKJZHN-OAHLLOKOSA-N 338.496 1.761 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCCCn2cccn2)[C@@H]1c1cccs1 78061071 IJWRDRFMZKWSOK-IUODEOHRSA-N 332.429 1.671 0 40 EDAB O=C(Cc1csc(NC(=O)c2ncccn2)n1)NCc1ccco1 61969150 VKQWBGFHLALTGG-UHFFFAOYSA-N 343.368 1.637 0 40 EDAB O=C(CCc1ccc2c(c1)OCCO2)NCCCN1CCOCC1 37127539 OJTASIHNMPSZQR-UHFFFAOYSA-N 334.416 1.229 0 40 EDAB CCC(CC)C(=O)N1CCC[C@@H]1Cn1nnc2c(O)nc(C)nc21 72324960 GIPIQCWPHKIEGX-GFCCVEGCSA-N 332.408 1.663 0 40 EDAB Cc1cc(I)cnc1NC(=O)[C@@H]1COCCO1 75402857 CLMLLZCMFXNGJQ-VIFPVBQESA-N 348.140 1.349 0 40 EDAB Cc1ccc(CNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)o1 72241803 NQNKCGSYXZHYFI-IAGOWNOFSA-N 346.358 1.942 0 40 EDAB Cc1ccc(CCNC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cn1 188704936 DYPALFXLIZDZLU-HNNXBMFYSA-N 334.464 1.419 0 40 EDAB Cc1cc(CCCC(=O)N2CCN(S(C)(=O)=O)CC2)c(C)s1 84521773 ISQXRNVCWCYIAH-UHFFFAOYSA-N 344.502 1.791 0 40 EDAB Cc1nc(NCCNC(=O)[C@H](C)Oc2ccccc2)cc(N(C)C)n1 44213697 PNQCVLCJEIZHLC-ZDUSSCGKSA-N 343.431 1.847 0 40 EDAB CN1CCC(n2ccc(NC(=O)c3cnn(C)c3C(F)F)n2)CC1 571378400 SRVKVBOMBYNEFV-UHFFFAOYSA-N 338.362 2.073 0 40 EDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1O 40285613 DKSQGQXJPGJQGZ-NSHDSACASA-N 325.796 1.585 0 40 EDAB Cc1cc(NCCNC(=O)N2CC[C@](C)(C(=O)O)C2)nc(C(C)C)n1 529231324 YIHWAMMNBGNBEO-KRWDZBQOSA-N 349.435 1.827 0 40 EDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NC)c(Cl)c1 226686180 UBWBCBUZXXQFPY-UHFFFAOYSA-N 334.825 1.543 0 40 EDAB Cn1nccc1-c1nnc(NC(=O)c2ccc3nsnc3c2)o1 42381280 WWPNUMISCYUOQF-UHFFFAOYSA-N 327.329 1.727 0 40 EDAB C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1cscn1 225790786 OGRJTFUBRYXPBP-NSHDSACASA-N 339.442 1.630 0 40 EDAB CN1CCC[C@@H](CNC(=O)COc2ccccc2)[C@@H]1c1cncn1C 583619524 CWTDPIBECICWON-HNAYVOBHSA-N 342.443 1.998 0 40 EDAB COCCN1CC[C@@]2(COCCN(C(=O)c3cccc(F)c3)C2)C1 96201991 QNJBMURQSTVCLS-GOSISDBHSA-N 336.407 1.637 0 40 EDAB O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCSCC1 95472439 LSNMNWQRNJEERS-LLVKDONJSA-N 330.413 1.491 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(Cc1ccco1)C2)NCc1cccnc1 96206569 QMFWQQGRQFCQIG-APWZRJJASA-N 341.411 1.830 0 40 EDAB c1cnc(OC[C@@H]2CC[C@@H]3[C@@H]2OCCN3Cc2nccs2)nc1 96055268 ZDJMKGOAQFNDOR-GZBFAFLISA-N 332.429 1.992 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2cccs2)Cc2ncn(C)c21 96044863 URGHYMZNPAMSFE-CYBMUJFWSA-N 348.472 1.686 0 40 EDAB C[C@H](CCN1CCOCC1)NC(=O)c1ccc(-n2cncn2)c(F)c1 96426501 XDEBKPFDEGCNJZ-CYBMUJFWSA-N 347.394 1.247 0 40 EDAB Cn1ccnc1CN1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 96183531 PBQSYVYNGVOIAJ-DOTOQJQBSA-N 330.407 1.897 0 40 EDAB CN(C)CC(C)(C)CNC(=O)C(=O)Nc1cccc(-c2cnco2)c1 96411860 AXPDRRQBSITMSN-UHFFFAOYSA-N 344.415 1.984 0 40 EDAB Cc1ccc(N2CC[C@]3(C2)CN(S(C)(=O)=O)CCC3(F)F)nn1 96239775 MNEYLVGXJAUGPB-ZDUSSCGKSA-N 346.403 1.282 0 40 EDAB COc1ncccc1CN1CCOC[C@]2(CCN(CCN(C)C)C2)C1 96201972 AZXGTBBBODACFL-IBGZPJMESA-N 348.491 1.176 0 40 EDAB O=C1C[C@@]2(CCCCN2C(=O)[C@@H]2CCCO2)CN1Cc1ccncc1 96071749 ZEVUSUCPOFYDCN-LPHOPBHVSA-N 343.427 1.744 0 40 EDAB CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)C1 249114146 WDXDXCQVGZYVLZ-KQBRZWLDSA-N 332.404 1.894 0 40 EDAB O=C([C@@H]1CN(CCc2ccccc2)Cc2cncn21)N1CCCO1 247858139 LKPGLCXSMJYSNT-KRWDZBQOSA-N 326.400 1.646 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@@H](OCC3CCOCC3)CCO2)C1 247871042 QTUYCDUPYRJIGO-AWEZNQCLSA-N 336.388 1.491 0 40 EDAB Cc1csc2nc(CN3C[C@]4(C)CN(C)C[C@]4(C)C3)cc(=O)n12 585133739 SVBIJOSOXRICBW-CALCHBBNSA-N 332.473 1.838 0 40 EDAB Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c2c(C)noc2n1 585130218 KNOPZVKKZCGGNX-SMDDNHRTSA-N 331.420 1.204 0 40 EDAB Cc1cnccc1CCNC(=O)Nc1nn(C)cc1Br 585119747 SBDJXZUWLVLDQM-UHFFFAOYSA-N 338.209 2.250 0 40 EDAB CCn1nnc(NC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)n1 585124866 XDJIKDUBSRIEBB-VQHVLOKHSA-N 331.376 2.141 0 40 EDAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)C1CCCCC1 257290064 QBLCAHNAWQZRSZ-GOSISDBHSA-N 330.432 1.963 0 40 EDAB Cc1ocnc1C(=O)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257235690 GYXYKSRLQICYFV-AWEZNQCLSA-N 340.383 1.962 0 40 EDAB CCCS(=O)(=O)N1CCCC[C@H]1c1[nH]ncc1S(C)(=O)=O 257225654 FHFARWRIVIRBKD-JTQLQIEISA-N 335.451 1.080 0 40 EDAB CC(=O)NC1CCN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)CC1 257290057 QBJQAAWUGTZDFF-UHFFFAOYSA-N 341.415 1.625 0 40 EDAB c1ccc(CO[C@@H]2[C@@H](NCc3cccs3)CN3CCOC[C@@H]23)nc1 253595830 JKSLCDSVADZBPM-OKZBNKHCSA-N 345.468 1.901 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccnc(Cc2ccccc2)c1 257306089 SSVVXLGEDPZFCI-HNNXBMFYSA-N 330.409 1.589 0 40 EDAB CN1C(=O)CO[C@H]2CCN(Cc3ccc(N4CCCC4=O)cc3)C[C@@H]21 257217764 DAMQDAMATSVSQP-IRXDYDNUSA-N 343.427 1.245 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)CCOc3ccccc3)CCO2)n1 257307315 SYDTZQDTNCMOTC-OAHLLOKOSA-N 343.383 1.860 0 40 EDAB Cc1cc2nc(C3CCN(C(=O)c4ccn(C)n4)CC3)cc(O)n2n1 257244405 ILDABODFOGAKEJ-UHFFFAOYSA-N 340.387 1.497 0 40 EDAB Cc1cccnc1C(=O)N1CCO[C@@H](c2ncc(CN(C)C)[nH]2)C1 257229098 FWRCABGZBOORQR-CQSZACIVSA-N 329.404 1.388 0 40 EDAB CNc1cc([C@@H]2CCCN2C(=O)C2CCN(C(C)=O)CC2)nc(C)n1 257221808 DQPOTOHMOUGWNZ-INIZCTEOSA-N 345.447 1.749 0 40 EDAB CNc1cc([C@H]2CCCN(C(=O)Cn3cccnc3=O)C2)ccn1 257206538 BDXHLWOZVHTMQU-AWEZNQCLSA-N 327.388 1.086 0 40 EDAB COc1cc(C)nc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1 605148150 BQTWKJDNKADEEV-UHFFFAOYSA-N 326.400 1.817 0 40 EDAB CCOC(=O)c1c(CN2CCC[C@@H](C(=O)N3CCCC3)C2)n[nH]c1C 595318580 WARRLOHCPCFWPO-CQSZACIVSA-N 348.447 1.729 0 40 EDAB CC(C)[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NCCOCCO 1615000898 GHEKGUXNPSJKGU-OAHLLOKOSA-N 330.469 1.867 0 40 EDAB COC(=O)c1cncc(CNC(=O)[C@H]2CCc3cccc(O)c32)c1 1615587081 VJNVQCIFQMDMCH-AWEZNQCLSA-N 326.352 1.920 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)N1CCC2(CCNCC2)C1 1615613965 CNDLGHYTFVEHPH-LJQANCHMSA-N 329.444 1.398 0 40 EDAB Cc1ccc(Cn2nnnc2N2CCC[C@H](C3(C)OCCO3)C2)o1 1616033032 YMTGTDBXSURVFO-ZDUSSCGKSA-N 333.392 1.602 0 40 EDAB C=C1C(=O)O[C@@H]2C=C(C)C(=O)C=C[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@@H]12 299806895 DUQSSEQKLJQACA-JEWRLFTDSA-N 348.395 1.878 0 40 EDAB biogenic,in-vitro O=C(c1cnccn1)N1Cc2ccnn2[C@@H](COc2ccccn2)C1 575403205 FRXDENRAOMFQSL-CQSZACIVSA-N 336.355 1.344 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](CNC(=O)c2cscn2)C1 575404804 DNECEFPFQDRCRT-LBPRGKRZSA-N 333.417 1.309 0 40 EDAB O=C(N[C@@H]1COCC[C@H]1O)c1cc(F)cc(Br)c1F 828314569 KXWNZSIOOUWJNP-NXEZZACHSA-N 336.132 1.607 0 40 EDAB COC(=O)C[C@H]1CCCN1C(=O)C[C@@H](O)COCc1ccccc1 585140914 NAXNHQZJQFZUIB-HZPDHXFCSA-N 335.400 1.508 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1 585270857 BZOSDULERWFFHI-IBGZPJMESA-N 343.427 1.402 0 40 EDAB CCn1nc(C2CC2)cc1C(=O)N1CCC[C@@]1(COC)CC(N)=O 585278213 NJDIDSVWDOIODG-KRWDZBQOSA-N 334.420 1.277 0 40 EDAB O=C(COc1ncccn1)N1CC[C@@H](O)[C@H](Cc2ccccc2)C1 585275563 CXNDALMCXDXZRE-HZPDHXFCSA-N 327.384 1.308 0 40 EDAB O=C(NCCNc1cnccn1)c1ccc(OC[C@H]2CCCO2)cc1 47492368 PHNJPCWGJWBQFK-MRXNPFEDSA-N 342.399 1.876 0 40 EDAB O=C(NC1CCN(C(=O)c2ccccc2O)CC1)c1cccnc1 58209663 NBYGNDKRABMQSD-UHFFFAOYSA-N 325.368 1.822 0 40 EDAB CCNC(=O)NC(=O)CN1CCCC[C@@H]1CNC(=O)OC(C)(C)C 58209758 MHACQOMEMXVSHE-GFCCVEGCSA-N 342.440 1.211 0 40 EDAB Cc1ccc(C(=O)NCCNCc2c(C)nn(C)c2N(C)C)cc1F 58404160 GXXMZIHBURVSIZ-UHFFFAOYSA-N 347.438 1.762 0 40 EDAB Cc1ccc(OCC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 66486382 CANMADKHOZVFDS-QGZVFWFLSA-N 346.427 1.614 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cn(C)nc1-c1cccnc1)C2 69461667 CWPSOVIJEQHHMR-UHFFFAOYSA-N 337.387 1.292 0 40 EDAB CCN(C)[C@H](C(=O)N[C@@H](C)C(=O)N1CCOCC1)c1ccccc1 68310822 PPHUOXKEYWOUOS-HOCLYGCPSA-N 333.432 1.043 0 40 EDAB CCc1nc(CN2CCCN(c3ncnc4c3cnn4C)CC2)no1 69745045 CWVUNNWVQOVEIJ-UHFFFAOYSA-N 342.407 1.021 0 40 EDAB CC(C)COC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccco1 71803962 HLZQTJANZHDNQR-CYBMUJFWSA-N 344.433 1.433 0 40 EDAB O=C(/C=c1/[nH]c(=O)/c(=C/c2ccncc2)s1)c1ccc(Cl)cc1 105631781 DDZXPXKMDMCUGG-VULZFCBJSA-N 342.807 1.977 0 40 EDAB CCc1noc(CN(C)C(=O)c2cc3c(cc2F)NC(=O)CC3)n1 89290054 OPWGLLYVRGQEHU-UHFFFAOYSA-N 332.335 1.928 0 40 EDAB CC(=O)NCCNS(=O)(=O)Cc1ccc(Br)cc1 89962701 ABUTXABWNNOIGX-UHFFFAOYSA-N 335.223 1.005 0 40 EDAB C/C=C/C(=O)O[C@@H]1C=C[C@H](OC(C)=O)[C@H](O)CCC(=O)O[C@@H]1C 1772591554 DXWCPEHGKOCJTG-ZFHOYTJPSA-N 326.345 1.049 0 40 EDAB CCCCS(=O)(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1S(=O)(=O)CCCC 5328485 BCTDADZBLWKRKR-KPWCQOOUSA-N 338.491 1.715 0 40 EDAB Cn1ccnc1C1(O)CCN(C(=O)c2ccc3c(c2)OCO3)CC1 12114521 YTAALJHXNWCCDK-UHFFFAOYSA-N 329.356 1.273 0 40 EDAB Cc1c(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)cnn1C 12122361 VASWHBKSXGQABL-UHFFFAOYSA-N 336.399 1.844 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCc3ccco3)n2)o1 12182898 OMAGPFZBZLDXQB-LLVKDONJSA-N 342.355 1.864 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)C(C)C)C[C@H]1c1ccnc(N2CCCC2)n1 19086098 GCLDSDWYGYLUJS-ZIAGYGMSSA-N 345.447 1.021 0 40 EDAB O=C(C1CCC1)N1CCC(Cn2nnn(-c3cccs3)c2=O)CC1 19345000 HDPGIZKFFHMCQE-UHFFFAOYSA-N 347.444 1.529 0 40 EDAB O=c1[nH]c(-c2ccccc2)ccc1-c1noc(CN2CCOCC2)n1 19374108 GNWSTYRTHOXNBF-UHFFFAOYSA-N 338.367 1.924 0 40 EDAB CN1CCc2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)ncc2C1 19590460 UFMLVQPODXAZTN-CQSZACIVSA-N 337.427 1.879 0 40 EDAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)n1 390827623 IJAVDBWUYWRNQZ-AWEZNQCLSA-N 329.404 1.737 0 40 EDAB CN([C@H]1CCN(c2nc3ccc(F)cc3o2)C1)S(=O)(=O)C1CC1 1888866343 GAJSEIJMVRTURL-NSHDSACASA-N 339.392 1.970 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(c2nnc(C3CC3)s2)C1)C1CC1 1889108849 OGQHLLPBBXJGPH-SNVBAGLBSA-N 328.463 1.466 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889128703 AYXLSPLJEQHGCH-MWLCHTKSSA-N 335.351 1.571 0 40 EDAB Cc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3CCCO3)n2)c(C)c1 5401353 MGNIHZSYAWYZJT-OAHLLOKOSA-N 341.411 1.822 0 40 EDAB COc1ccccc1NC(=O)C[C@@H](NCCCCCCN)C(=O)O 8496182 HUIWRJWQLCYZLI-CQSZACIVSA-N 337.420 1.586 0 40 EDAB CN(C)[C@H](CNC(=O)C(=O)NCCc1ccccc1)c1ccsc1 8863705 UGRCJCQZOPZBNB-MRXNPFEDSA-N 345.468 1.826 0 40 EDAB CCc1cnc2c(c1NCc1ccccn1)c(=O)n(C)c(=O)n2C 12227043 LHZVOQFFMRKHMU-UHFFFAOYSA-N 325.372 1.202 0 40 EDAB CN1CCN(C(=O)/C=C/c2cccs2)C[C@@]2(CCCC(=O)N2)C1 2055806656 OFGXLBGOCMVMFN-DKRLNXSXSA-N 333.457 1.574 0 40 EDAB COCCN1CCC(CNC(=O)COc2ccc(OC)cc2)CC1 23127944 UXUSPYXNXYUPMR-UHFFFAOYSA-N 336.432 1.549 0 40 EDAB O=c1ccc(C2CC2)nn1CC1CN(c2cc(=O)n3ccccc3n2)C1 585602477 DFDFQACPWOGQAB-UHFFFAOYSA-N 349.394 1.265 0 40 EDAB COc1cc(C(=O)NCCCN2CCOCC2)cc(OC)c1OC 20228264 WJSSEQZVGHKBLX-UHFFFAOYSA-N 338.404 1.165 0 40 EDAB CC1=Nn2c(Cc3ccccc3F)nnc2S[C@@H]1C(=O)N(C)C 40464592 JSRSSKXGPNAIPT-ZDUSSCGKSA-N 333.392 1.795 0 40 EDAB Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)[nH]n2)cc1 40485043 UUXVTUJUNPBEAQ-ZDUSSCGKSA-N 333.413 1.644 0 40 EDAB CCCOc1ccc(N2C(=O)C[C@@H](NC[C@H]3CCCO3)C2=O)cc1 100833794 OIAOBFQEZWKYEY-HZPDHXFCSA-N 332.400 1.876 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)N[C@@H]2CCCCNC2=O)c1C 40521853 CBQUTIITFGOFAP-OAHLLOKOSA-N 326.400 1.888 0 40 EDAB CC(C)(C)c1noc(CCC(=O)NCc2nnc3n2CCCCC3)n1 40516136 GWWPDQZAUZBDGV-UHFFFAOYSA-N 346.435 1.934 0 40 EDAB COc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1C 40520489 NVKSYHYBTWONTO-UHFFFAOYSA-N 342.461 1.393 0 40 EDAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(O)cc2)n2nnnc2N1 65586 IXGKZILEWCAIMO-OAHLLOKOSA-N 349.354 1.701 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 415560 IOJVLQZQBNPRJW-LBPRGKRZSA-N 346.474 1.500 0 40 EDAB NC(=O)c1ccccc1NC(=S)NC(=O)C(Cl)(Cl)Cl 513599 PYZGUZYZGXHIIL-UHFFFAOYSA-N 340.619 1.969 0 40 EDAB Cc1cnc(NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)s1 46017044 XWRPEAYDVXGBHO-SNVBAGLBSA-N 329.385 1.728 0 40 EDAB COC(=O)[C@@](C)(NS(=O)(=O)C[C@H]1CCCCO1)c1ccccc1 69738285 BINQNZSOOAEEBW-ZBFHGGJFSA-N 341.429 1.563 0 40 EDAB CN1C(=O)C[C@H](C(=O)N[C@@H]2C=C[C@H](CO)C2)[C@H]1c1cccc(Cl)c1 81765970 BXRODMULZIDSMI-MQVNZCODSA-N 348.830 1.913 0 40 EDAB COc1ccc([C@@H](C)NC(=O)N(C)CCN2CCOCC2)cc1F 75583980 DSHQWHGJBQGCIA-CYBMUJFWSA-N 339.411 1.869 0 40 EDAB Cn1c(=O)c2nc(-c3ccccn3)c(-c3ccccn3)nc2n(C)c1=O 339446 MFCHJTARWPSXHX-UHFFFAOYSA-N 346.350 1.151 0 40 EDAB COc1ccc(C[C@@H](C(=O)O)N2C(=O)c3ccccc3C2=O)cc1 4248250 SLJWULOHSPROGQ-HNNXBMFYSA-N 325.320 1.987 0 40 EDAB CCc1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(C)nn23)cc1 4251396 OAYPSWGFDVFHAE-UHFFFAOYSA-N 344.400 1.414 0 40 EDAB Cc1nn2c(=O)cc(CN3CCN(c4nccs4)CC3)nc2s1 52358632 MRBONQXDMKUTRQ-UHFFFAOYSA-N 348.457 1.238 0 40 EDAB CCCC(=O)Nc1cc(OC)c(NC(=O)C(=O)OCC)cc1OC 4817460 BJXKMLGDAHOKCT-UHFFFAOYSA-N 338.360 1.944 0 40 EDAB COC(=O)c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 7979819 QAQAWNCCWSTXDM-UHFFFAOYSA-N 344.348 1.900 0 40 EDAB CC(C)Oc1ccc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 21776884 SVRAKOHDNPOFDM-ZDUSSCGKSA-N 343.383 1.345 0 40 EDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCC[C@H](C)C3)cnc21 33185195 WSMJPPLAARVGES-JQWIXIFHSA-N 330.388 1.413 0 40 EDAB C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 46858720 LDMCKVMPSOBYEB-HUUCEWRRSA-N 333.432 1.619 0 40 EDAB O=C(NCCN1CCCCC1)C1CCN(C(=O)c2ccco2)CC1 46855568 YGFCWBVALLYNLO-UHFFFAOYSA-N 333.432 1.734 0 40 EDAB Cc1ccc(-c2nnc(CN3CCO[C@@H](Cn4cncn4)C3)o2)cc1 70011401 RGRYNGTXIXRDPZ-OAHLLOKOSA-N 340.387 1.538 0 40 EDAB C[C@H]1CCN(C)c2ccccc2N1Cc1nc(N)nc(N(C)C)n1 89930049 YGXFPKSNMVRGPL-LBPRGKRZSA-N 327.436 1.755 0 40 EDAB C[C@H](NC(=O)[C@@H]1CNC(=O)N1)c1ccc(OCC(F)(F)F)cc1 89904850 LPWZZXKGPVWRBH-KWQFWETISA-N 331.294 1.486 0 40 EDAB Cc1cc(C)n(Cc2cccc(CNC(=O)[C@H](C)S(C)(=O)=O)c2)n1 54031858 XPACVEWMSWYOGL-AWEZNQCLSA-N 349.456 1.598 0 40 EDAB Cc1cnn([C@@H](C)C(=O)Nn2c(S)nc3ccccc3c2=O)c1 101649293 XFDYEUOFHKMGIT-JTQLQIEISA-N 329.385 1.521 0 40 EDAB CCC(Nc1ccccc1NC(C)=O)=C1C(=O)N(C)C(=O)N(C)C1=O 16955632 IOPSKGZZWPGZPR-UHFFFAOYSA-N 344.371 1.771 0 40 EDAB CC[C@@H](C)NC(=O)CCNC(=O)c1ccc2c(=O)[nH]c(S)nc2c1 69389980 UVLQSEKKMNKNFU-SECBINFHSA-N 348.428 1.246 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)[C@@H]3CCOC3)cc2)C[C@@H](C)O1 69359853 CTDZOTZCNGNPJH-JKIFEVAISA-N 346.427 1.589 0 40 EDAB O=c1ccc2cc(S(=O)(=O)Nc3nnc4ccccn34)ccc2o1 69324101 FMMPYSVLHVAFBW-UHFFFAOYSA-N 342.336 1.637 0 40 EDAB Cc1occc1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 23462846 WNSGGIZRZYSEPC-UHFFFAOYSA-N 326.360 1.227 0 40 EDAB c1ccc(N2CCOCC2)c(CNC[C@H]2CN(C3CC3)CCO2)c1 75606102 BCCSRRJMBUVBKU-SFHVURJKSA-N 331.460 1.476 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H]3CSc4ccccc43)CCO2)n1 76045373 ONDAPKVEDMOZTJ-STQMWFEESA-N 330.413 1.903 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)C[C@H]1N1CCOCC1 76056949 BVNMLPXPCJUPMJ-GDBMZVCRSA-N 344.415 1.317 0 40 EDAB O=C(N[C@H]1CCN2CCCC[C@H]12)N1CCN(c2ccncc2)CC1 47106284 VVWPUOZZRVYSFL-DLBZAZTESA-N 329.448 1.540 0 40 EDAB O=C1CC(=O)N2C(=N1)SC[C@@]2(O)c1ccc(Br)cc1 102616174 MUAMUSWCVBKLJY-GFCCVEGCSA-N 341.186 1.456 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCc1ccsc1 24678460 UCNPQYJUJAOJKL-ZDUSSCGKSA-N 330.475 1.611 0 40 EDAB Cc1cccc2c(=O)n(CCCC(=O)O[C@@H]3CCOC3=O)cnc12 12461512 OQNOOSWEYCEKAR-CYBMUJFWSA-N 330.340 1.344 0 40 EDAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)N2CCN(c3ncccn3)CC2)C1 56785734 WYJWJFUGTQNBCR-HZPDHXFCSA-N 346.479 1.429 0 40 EDAB O=C(Cc1ccon1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107520350 GMCOCXXFFJYXRK-IAGOWNOFSA-N 327.384 1.329 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N3CC(=O)Nc2ccccc2)cc1 102437013 QRIOWZYYJKMKIE-IAGOWNOFSA-N 335.363 1.560 0 40 EDAB C=CC(=O)NCc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1 108214749 IVUTYAFTYCCIRW-AWEZNQCLSA-N 343.427 1.620 0 40 EDAB CCN1C[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)[C@H](C)C1 78899171 AFVXJRAUEUEEOJ-DGCLKSJQSA-N 326.418 1.076 0 40 EDAB NC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 10044281 FOFZEJHMRCQVLO-LLVKDONJSA-N 330.818 1.906 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1 44741103 JBFBLHDGAIORLG-HKUYNNGSSA-N 345.487 1.739 0 40 EDAB COc1ccc(CNC(=O)C(=O)Nc2cccnc2OC)cc1OC 44891688 RLKIDFASQINFNY-UHFFFAOYSA-N 345.355 1.362 0 40 EDAB O=C(Nc1nnc(C2CC2)s1)N[C@H]1CCCN(c2ncccn2)C1 44971835 SYHAMNOSQZOVPP-NSHDSACASA-N 345.432 1.996 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)N(C[C@H]1CCOC1)C1CC1 44940919 CDVMRDRHTMPRIP-LLVKDONJSA-N 349.412 1.592 0 40 EDAB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2[C@H]1CC=CCC1 10385449 RBNJCIXIIRGXHR-DZGCQCFKSA-N 329.404 1.520 0 40 EDAB CCOC(Cn1cc(C(=O)Nc2ncc(C)s2)nn1)OCC 58341364 HBOWLBMEECIWMG-UHFFFAOYSA-N 325.394 1.694 0 40 EDAB Cc1cc(NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)n(C)n1 58342732 OKPIBDJNMYFHKT-UHFFFAOYSA-N 339.355 1.752 0 40 EDAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2cc(C)nc3ncnn23)C1 58311151 GADNXAIUXLXJEC-OCCSQVGLSA-N 330.436 1.954 0 40 EDAB CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCCCNC1=O 58428898 WBLOUMXDTOFBHN-OAHLLOKOSA-N 349.479 1.138 0 40 EDAB CC(C)C[C@]1(C)NC(=O)N(Cc2nnnn2Cc2ccccc2)C1=O 45101517 ZJFFHCPXHNLVQX-KRWDZBQOSA-N 342.403 1.578 0 40 EDAB CC(=O)N1CCC(NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 48020942 OPEWWLIFCYOFBX-GFCCVEGCSA-N 347.415 1.829 0 40 EDAB O=C1NCCCC[C@H]1Sc1nnc(NC[C@H]2CCCO2)s1 11496794 SGTPEOWYXXQNPO-NXEZZACHSA-N 328.463 1.890 0 40 EDAB CCOC(=O)[C@@H]1CSCCN1CN1C(=O)c2ccccc2C1=O 12740030 NAAOOOCWZHQKPR-ZDUSSCGKSA-N 334.397 1.221 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCc1cc[nH]n1 48299706 INGFMWXLCZTNFA-NSHDSACASA-N 336.417 1.716 0 40 EDAB COc1ccccc1OCCC(=O)N1CCC[C@H](c2nncn2C)C1 48234240 IZFURYTUKSZMQP-AWEZNQCLSA-N 344.415 1.999 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 48274994 IWGMUCDPBTYHSB-GHMZBOCLSA-N 332.447 1.001 0 40 EDAB Cc1cc(OCC(=O)NCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3 4029692 GHECFEOEXJPWGZ-UHFFFAOYSA-N 345.351 1.560 0 40 EDAB biogenic O=C(CCNC(=O)C1CCC1)NS(=O)(=O)c1ccc(F)cc1F 69567654 NZGKRTPDHHUNPJ-UHFFFAOYSA-N 346.355 1.076 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1cnc2sccc2c1=O 69592433 URZJTORKCKWVAQ-KGLIPLIRSA-N 346.456 1.543 0 40 EDAB Cc1cccc(NC(=O)CN(C)C(=O)c2cccc3c2OCCO3)n1 69533097 DRVDIHVBNXCJGP-UHFFFAOYSA-N 341.367 1.872 0 40 EDAB Cc1cc(C)n2c(CN3CCO[C@@](C)(c4cnn(C)c4)C3)cnc2n1 92016697 QHYMBVAIKKGLFY-GOSISDBHSA-N 340.431 1.827 0 40 EDAB O=C1CN(C(=O)COC(=O)/C=C/c2ccco2)c2ccccc2N1 5113146 ZXVAOXMLWAPLPL-BQYQJAHWSA-N 326.308 1.821 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)NCc3cccs3)C2)n1 69840496 USNOAVIGVOFJRC-HNNXBMFYSA-N 347.488 1.985 0 40 EDAB CC1CCN(C(=O)[C@@H](C)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 69897044 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CC(=O)Nc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1 6692609 KUHFYZZDOHVYQJ-UHFFFAOYSA-N 328.353 1.967 0 40 EDAB COc1ccc(CNC(=O)Cn2nnc(-c3cccs3)n2)cc1 14795150 ZILJTEZVKXEWDB-UHFFFAOYSA-N 329.385 1.727 0 40 EDAB Cc1c(C)n(CCN2CCOCC2)c2ncn(CC(C)C)c(=N)c12 6719831 SSECSVFILSPLNB-UHFFFAOYSA-N 331.464 1.922 0 40 EDAB Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O 6816322 QFBFEQPHKORDSQ-UHFFFAOYSA-N 331.763 1.731 0 40 EDAB C[C@@H]1CN(C)CCN1CC(=O)NC1CCN(Cc2ccccc2)CC1 89938982 XLRHNWVAZSVLQL-QGZVFWFLSA-N 344.503 1.403 0 40 EDAB O=C(Cn1cc(Br)cn1)N1N=CC[C@]1(O)C(F)(F)F 6925599 GDANDFWUWMBBBZ-QMMMGPOBSA-N 341.087 1.115 0 40 EDAB O=C1CC[C@H](C(=O)NCc2ccc(OC3CCCCC3)nc2)CN1 71185700 OBRHIQRHUVFREE-AWEZNQCLSA-N 331.416 1.936 0 40 EDAB CCCCOc1ccc(C(=O)NCC(=O)NC[C@@H]2CCCO2)cc1 15941057 ZDWAJNMTMXDDIM-INIZCTEOSA-N 334.416 1.891 0 40 EDAB O=C1CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CCN1 7844557 GWIJFQUKUOQFFC-UHFFFAOYSA-N 325.368 1.849 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NCc2nnc3ccccn23)cc1 7898730 DOBYAAZRDFSHDP-UHFFFAOYSA-N 330.369 1.063 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Cc1nc(C)c(CCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)s1 95426947 DVXVZLZXQIJQPP-CHWSQXEVSA-N 336.461 1.755 0 40 EDAB Cc1cc2ncn(C[C@H](O)Cn3cnc([S@@](C)=O)n3)c2cc1C 95438959 TUJSOYVOFIVIOB-MYODQAERSA-N 333.417 1.043 0 40 EDAB CCn1cnnc1CNC(=O)N1CCN(c2nc(C)c(C)s2)CC1 95435971 CDWGWBUVGMCIPF-UHFFFAOYSA-N 349.464 1.403 0 40 EDAB O=C(NCc1ccco1)C1CCN(CCOC[C@@H]2CCCO2)CC1 95400871 UFGPIFGWDNUBRD-KRWDZBQOSA-N 336.432 1.803 0 40 EDAB CC(=O)N1CC(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)C1 95989118 KUUOQMTTYVADRU-UHFFFAOYSA-N 337.742 1.020 0 40 EDAB CNC(=O)c1cccc(NC[C@@H](O)CN2CCc3ccccc3C2)n1 89392024 GLNTXVXDZPYEJB-MRXNPFEDSA-N 340.427 1.272 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 89310146 MLXKUYSTJPWNRX-CYBMUJFWSA-N 348.476 1.996 0 40 EDAB Cc1cccn2cc(CNC(=O)c3ccccc3-n3cnnn3)nc12 75136683 JDHZPQVEUMFMFS-UHFFFAOYSA-N 333.355 1.548 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)NCCc2nc3c(F)cccc3n2C)cn1 75136632 OBKBRBAHMYRFTR-OLZOCXBDSA-N 341.390 1.908 0 40 EDAB COCCn1cc(NC(=O)NCCCC(=O)OC2CCCC2)cn1 75137096 XCGCMYOSYUCNQV-UHFFFAOYSA-N 338.408 1.917 0 40 EDAB CN1CCC(NC2(Cc3cc(-c4ccccn4)on3)COC2)CC1 67898270 YNBFOISLLNGDFY-UHFFFAOYSA-N 328.416 1.732 0 40 EDAB biogenic,in-vitro O=C(CN(Cc1nc(C2CC2)no1)C[C@H]1CCCO1)N1CCCC1 89819046 KVEANJYAEQOFKP-CQSZACIVSA-N 334.420 1.550 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2nc(C(=O)NCC3CC3)sc2C1 306143740 YLCPRKFKCOEWAV-JLLWLGSASA-N 333.457 1.912 0 40 EDAB CC(C)COC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCc1ccccc1 408998081 JXGCMULPWGIUOT-HOTGVXAUSA-N 334.416 1.573 0 40 EDAB CCc1nnc(CN2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)n1C 548009079 MZBFXBUBOQEKTH-INIZCTEOSA-N 348.476 1.380 0 40 EDAB Cc1cc(OCC(=O)N2CCC[C@H]2C(N)=O)c2c(C)cc(=O)oc2c1 32123975 DLHXWIMOKKVYMA-LBPRGKRZSA-N 344.367 1.265 0 40 EDAB biogenic CCn1nncc1CNC(=O)N1CCN(c2ccc(Cl)cn2)CC1 528064692 OMIOULLORQUTPY-UHFFFAOYSA-N 349.826 1.378 0 40 EDAB COCCN(C)C(=O)C(=O)Nc1cc(Br)ccc1F 77730028 HIOBRGGJYBFAKG-UHFFFAOYSA-N 333.157 1.632 0 40 EDAB C[C@@H]1CCN(C(=O)CCS(C)(=O)=O)CCN1Cc1ccccc1 75490577 UFDWEFADWYRGRK-OAHLLOKOSA-N 338.473 1.544 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(F)c2)C1 78602846 TUYKPWXXZJZQLB-CQSZACIVSA-N 337.395 1.300 0 40 EDAB Cc1cc(CNC(=O)Nc2ccc3c(c2)OCCO3)nc(N(C)C)n1 211103441 WFFGMIBLWWEABF-UHFFFAOYSA-N 343.387 1.944 0 40 EDAB CC(C)CCC(=O)NCC(=O)NCCc1nc2ccccc2n1C 79310229 CCKODKKTTXBTIE-UHFFFAOYSA-N 330.432 1.784 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2cccnc2)[C@H]1c1ccccc1 72237996 ONYIZJNBFFNHMT-SJORKVTESA-N 325.368 1.296 0 40 EDAB CCCN1CC[C@H](CNC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)C1 187747986 FHSUONQDRIZMHZ-HZPDHXFCSA-N 340.512 1.205 0 40 EDAB C[C@](O)(CO)CNC[C@@H](O)Cn1c2ccccc2c2ccccc21 564979073 QLJHUOUJTUPZFQ-AUUYWEPGSA-N 328.412 1.488 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NC2CCCC2)ccc1NCCO 217575636 MFZNLXUXSNTOQH-UHFFFAOYSA-N 328.390 1.010 0 40 EDAB Cc1nc(-c2cccc(NC(=O)C(=O)N3CCC(C)CC3)c2)n[nH]1 77718138 NBMJCIFFQHNBIS-UHFFFAOYSA-N 327.388 1.977 0 40 EDAB CCCCCNS(=O)(=O)c1ccc(NCCOC)c(C(=O)O)c1 217649254 FHICZFBOWUUFJI-UHFFFAOYSA-N 344.433 1.912 0 40 EDAB CC(C)c1ocnc1C(=O)OCCCn1nc2ccccn2c1=O 77877565 OOTOHSANEUXSGR-UHFFFAOYSA-N 330.344 1.855 0 40 EDAB C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCc2ccc(F)cc2C1 133927838 ILNQSOYEPCPXLR-VIFPVBQESA-N 347.312 1.960 0 40 EDAB Cc1ccc(C(=O)O)cc1NC(=O)C(=O)NCCc1ccccc1 44901115 MHOMLDQLLRVLEM-UHFFFAOYSA-N 326.352 1.991 0 40 EDAB Cc1cn(-c2ccccc2)nc1OCC(=O)NCCC(=O)NC(C)C 226852154 VUYXNCVQARXAMY-UHFFFAOYSA-N 344.415 1.590 0 40 EDAB CCN1CCN([C@@H](C)CNS(=O)(=O)c2cccc(C)c2F)CC1 195576942 RSHDVESVJXNQCG-AWEZNQCLSA-N 343.468 1.438 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1csc(-c2ccc(F)cc2)n1 48232229 LWMQOBCKGQHUII-LLVKDONJSA-N 340.401 1.866 0 40 EDAB CNS(=O)(=O)c1cccc([C@H](C)NCC[C@@H]2CCCN2C)c1 195549736 HOLRPVGVOKXLHZ-ZFWWWQNUSA-N 325.478 1.730 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](C)n2ccc(-c3ccsc3)n2)CC1 96455276 XMEHIFZNYVTNTB-LBPRGKRZSA-N 332.429 1.863 0 40 EDAB O=C(O)[C@]12CCCN([C@@H]3CCOC3)C[C@H]1CN(Cc1cccnc1)C2 96185209 TWSNTSOZDJTUQN-LMMKCTJWSA-N 345.443 1.469 0 40 EDAB CC(C)c1nc(=NC[C@@H]2C[C@H](F)CN2Cc2cncnc2)s[nH]1 583622062 JBJDEAVLGAADPC-STQMWFEESA-N 336.440 1.898 0 40 EDAB CN1C[C@@H](NC(=O)c2cnc3c(c2)ncn3C)CC[C@H]1C(F)(F)F 583620056 QBCZFBPBJJUXSG-JQWIXIFHSA-N 341.337 1.723 0 40 EDAB CC[C@H]1CCCC[C@H]1CN1CCN(CC(=O)NCCOC)CC1 583650800 BJDQBFNEXNARJD-IRXDYDNUSA-N 325.497 1.583 0 40 EDAB O=C(N1CCOCC1)N1CC[C@]2(CCCN(c3ncccn3)C2)C1 96158293 IZOUSKKWXGRYHH-KRWDZBQOSA-N 331.420 1.221 0 40 EDAB CN1CCN(C(=O)c2nn(C)c3c2CN(Cc2cccs2)C3)CC1 96187559 SXRYXIPUGXLTTK-UHFFFAOYSA-N 345.472 1.385 0 40 EDAB Cn1nc2c(cc1=O)CN(Cc1cccc3c1OCCCO3)CC2 93755992 JLBBJRGNGCWCHS-UHFFFAOYSA-N 327.384 1.500 0 40 EDAB CC(C)C(=O)N1CCc2nc(C(=O)N3CCOCC3)sc2CC1 96264780 GGGXVSNOPIFVGF-UHFFFAOYSA-N 337.445 1.199 0 40 EDAB CN(C)CCCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95475507 WNWIZDCQFSOYQH-NSHDSACASA-N 347.394 1.123 0 40 EDAB Fc1cnc(N2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN2CCCC2)nc1 96041623 WUPNDRGYQYYBHI-ARFHVFGLSA-N 336.411 1.464 0 40 EDAB CN(C)c1cc(N[C@H]2CCO[C@]3(CCN(CC4CC4)C3)C2)ncn1 96209551 IAIGBYIATUMWJQ-MAUKXSAKSA-N 331.464 1.988 0 40 EDAB Cc1ccc(Cl)c(OC[C@H](O)Cn2cnc([S@](C)=O)n2)c1 97375796 ZAYGKKVMVPTUMW-LADRHHBVSA-N 329.809 1.417 0 40 EDAB O=C(c1ccncn1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 247894951 ZNGHCPAIJAIOCJ-CYBMUJFWSA-N 328.397 1.651 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(c3cc(C)ncn3)CCN2C)c1 248085706 BGPMWWTZIHJZEM-MRXNPFEDSA-N 325.416 1.638 0 40 EDAB Cc1noc(C)c1CN1Cc2ccnn2[C@H](COCC(=O)N(C)C)C1 247981807 JRZLUFNLUHEWFE-HNNXBMFYSA-N 347.419 1.150 0 40 EDAB NC[C@]1(N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242620140 PUTKWDGOBAMMIB-OAGGEKHMSA-N 336.844 1.936 0 40 EDAB CCCS(=O)(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 249689818 JWWDDZFPGROXST-GOEBONIOSA-N 337.445 1.150 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1ccc(Cn2ccnc2)o1 252486033 CORKGDMFDRXZAR-GVAFMPQTSA-N 343.383 1.842 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@H](Cc3cc(O)ncn3)C2)cn1 257275859 NRGNWTQQLBXCSB-CYBMUJFWSA-N 328.372 1.217 0 40 EDAB O=C(CCn1ccccc1=O)N1CCC[C@@H](c2ccnc(O)n2)C1 257329449 XKBFBIOGSRAODQ-CYBMUJFWSA-N 328.372 1.140 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Cc2nn[nH]n2)c1 585087917 BFAPXYPUVILSNF-CQSZACIVSA-N 342.403 1.520 0 40 EDAB CN(C(=O)OC(C)(C)C)C1(C(=O)N2CC[C@](C)(C(N)=O)C2)CCC1 585123703 XYXKBIQAOBTZRV-INIZCTEOSA-N 339.436 1.500 0 40 EDAB O=S(=O)(NC[C@@H](CO)Cc1cccnc1)c1cc(F)ccc1F 585114518 GXASCRYWRAQZLS-LBPRGKRZSA-N 342.367 1.489 0 40 EDAB C[C@H](CO)NC(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1 585129255 CXFYUTLSQKOPPK-GFCCVEGCSA-N 341.839 1.195 0 40 EDAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 253471473 CSBAHHJAPHMBBD-CQSZACIVSA-N 342.351 1.246 0 40 EDAB CCn1cncc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1=O 585129203 BHSCSTURKGFIPB-JTQLQIEISA-N 335.385 1.387 0 40 EDAB CCn1nnc(C)c1CNS(=O)(=O)c1cc(F)cc(Cl)c1 585114626 OCRZJKMPEXZRQK-UHFFFAOYSA-N 332.788 1.877 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2nc(O)c3cccnc3n2)CC1 257198011 QDQCIFAQYUBCDG-UHFFFAOYSA-N 331.376 1.788 0 40 EDAB CN(C)c1ncccc1N(C)C(=O)Cc1ccccc1S(C)(=O)=O 252500210 SPFDBVJVEBXMDT-UHFFFAOYSA-N 347.440 1.757 0 40 EDAB Cc1nc(CCC(=O)O)cc(C2CCN(Cc3cnn(C)c3)CC2)n1 257277117 NWMVVDUIXPTOQG-UHFFFAOYSA-N 343.431 1.915 0 40 EDAB O=C(/C=C/c1ccco1)NCc1nnc2ccc(N3CCCC3)nn12 253475196 PTWIDNAXPRJYKW-VMPITWQZSA-N 338.371 1.647 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257264250 LTPHUIHPYMZVMH-AWEZNQCLSA-N 347.346 1.609 0 40 EDAB CC(=O)C[C@@H]1C[C@H](n2cnc3c(O)ncnc32)[C@H](C(C)=O)[C@H]1C(C)=O 253612051 XLWBUYJUDZPCSS-RFGFWPKPSA-N 344.371 1.482 0 40 EDAB Cc1nc2ccc(N3CCC[C@@H]3C(=O)NCc3ccco3)nn2n1 252490175 KLEBERULZISKKA-CYBMUJFWSA-N 326.360 1.311 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)CC 252514826 DZPXMTWLOUKYEI-UMVBOHGHSA-N 345.848 1.749 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257239722 HQMXFHRYXVBBRQ-INIZCTEOSA-N 331.347 1.903 0 40 EDAB COc1nccn2c(CNC(=O)c3cccc(-n4cccn4)c3)nnc12 253470956 AHEVWYCOPSPGGH-UHFFFAOYSA-N 349.354 1.249 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2ncncc2C1 592571900 DAEZDUILIGYOKU-PBHICJAKSA-N 339.395 1.482 0 40 EDAB Cc1cc(NCc2nc(O)cc(O)n2)n2nc(C(F)(F)F)nc2n1 1614995654 CARNYLHRJNDQBJ-UHFFFAOYSA-N 341.253 1.265 0 40 EDAB Cn1cc(C2=CCCN(CC[C@@H](C(F)F)N3CCOCC3)C2)cn1 1615588942 UZFKBSPPSODCEY-INIZCTEOSA-N 340.418 1.865 0 40 EDAB CC[C@H](Oc1ccccc1F)C(=O)N1CC(N2CCN(CC)CC2)C1 1615604644 CNKLMYWXCTVPBT-KRWDZBQOSA-N 349.450 1.831 0 40 EDAB O=C(CO)NCCc1nc(-c2cccc(Br)c2)no1 1616037212 CBJUVHFUMNVHAZ-UHFFFAOYSA-N 326.150 1.150 0 40 EDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(OC)c2)CC1 298114651 RDZYVVJQLTZATC-UHFFFAOYSA-N 346.380 1.297 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1cnn([C@H]2CCOC2)c1 96123029 KNGZLMJIRWPXQG-ZDUSSCGKSA-N 339.355 1.193 0 40 EDAB CO[C@H]1CN(C(=O)/C=C/c2csc(C)n2)C[C@@H]1CC(=O)N(C)C 585289872 LQWONKOVIAXGEC-GSKXSAQWSA-N 337.445 1.416 0 40 EDAB CO[C@H]1CCCN(C(=O)COc2cccc(F)c2)[C@H]1CCC(N)=O 585279148 UOXWHFVWPKRFPY-GJZGRUSLSA-N 338.379 1.476 0 40 EDAB CC(=O)N(C)[C@@H]1CCOC2(CCN(CC3(O)CCOCC3)CC2)C1 585284487 SOFQIWXBRBDSPB-MRXNPFEDSA-N 340.464 1.020 0 40 EDAB Cn1cnc2c1[C@H](C(=O)NCC1CCC1)CN(Cc1cccnc1)C2 585110762 CDSMBJAZMUPPIO-MRXNPFEDSA-N 339.443 1.831 0 40 EDAB COC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 42646880 QRSLWSSEZQBIRO-GDBMZVCRSA-N 344.411 1.902 0 40 EDAB Cc1nc(CCNC(=O)NC[C@H](O)CN2CCCCC2)cs1 44954807 FIDFELQMNHRNNB-AWEZNQCLSA-N 326.466 1.140 0 40 EDAB COC(=O)c1cc(C)ccc1NCC(=O)N(C)CC(=O)NC(C)(C)C 50783731 INKHPUCQDYFAFR-UHFFFAOYSA-N 349.431 1.567 0 40 EDAB O=C(NCc1ccccc1CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 68931982 WEZGYDMAVZRCTL-MRXNPFEDSA-N 336.457 1.333 0 40 EDAB C[C@@H](NS(=O)(=O)N(C)C)c1cc(F)ccc1N1CCN(C)CC1 69350364 MEPISHHNONYXNZ-GFCCVEGCSA-N 344.456 1.035 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCO[C@H](Cn3cccn3)C2)o1 69451446 AUIONSYWZYQTAL-INIZCTEOSA-N 332.404 1.144 0 40 EDAB Cc1nc(-c2ccsc2)ccc1C(=O)NCCS(N)(=O)=O 69452725 PZOOHKPAIAFGBE-UHFFFAOYSA-N 325.415 1.137 0 40 EDAB Cc1csc(N2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)n1 69627114 PHWXFVRIKKIQBZ-HUUCEWRRSA-N 341.477 1.130 0 40 EDAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCc2cncnc2C1 69629833 WCVKWQHRKZROAU-LBPRGKRZSA-N 340.383 1.268 0 40 EDAB COCc1nc2sc(C(=O)Nc3ccc[nH]c3=O)c(C)c2c(=O)[nH]1 69663742 CTFFIDUVKRLUCT-UHFFFAOYSA-N 346.368 1.380 0 40 EDAB CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCCO2)cc1 71799943 LOBNTWTXGQLYQU-AWEZNQCLSA-N 338.429 1.977 0 40 EDAB NC(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 69896315 SFJOLLQONWWPMJ-HUUCEWRRSA-N 334.441 1.912 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(CC)s2)CC1 71881958 XVXVNNDLPRLXIM-CYBMUJFWSA-N 326.462 1.466 0 40 EDAB Cc1noc(C)c1CCC(=O)Nc1cc(N2CCOCC2)ncn1 75166249 NPMZTGLZQGQQGO-UHFFFAOYSA-N 331.376 1.489 0 40 EDAB COCCN(C)C[C@H](O)CN[C@H]1CCCN(c2cccc(F)c2)C1 1615588439 PUAGYMFNWROBHX-FUHWJXTLSA-N 339.455 1.323 0 40 EDAB CCn1cc(S(=O)(=O)N2CC[C@@](O)(c3ccccc3)C2)c(C)n1 12362603 JSEOOSPIMGBPRC-INIZCTEOSA-N 335.429 1.494 0 40 EDAB COCCN1C(=O)/C(=C(/C)Nc2ccc(C)cc2)C(=O)NC1=S 13148284 YKNUZWROQCNJGP-QBFSEMIESA-N 333.413 1.571 0 40 EDAB CN(C)Cc1cc(C2CCN(C(=O)[C@@H]3CCCNC3)CC2)nn1C 19710236 DMTOBOIEVOUGQC-OAHLLOKOSA-N 333.480 1.187 0 40 EDAB O=C(NC1CCCC1)[C@H]1CCN(C(=O)CN2CCCCCC2=O)C1 19747752 XHQOYTXZBIZNJN-AWEZNQCLSA-N 335.448 1.296 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCc1nccc(N2CCOCC2)n1 206722071 GVQITRFNQNAIPA-CQSZACIVSA-N 342.399 1.397 0 40 EDAB Cc1cc(OC2CCN(S(=O)(=O)N3CCCC3)CC2)nc(C)n1 390827819 KQDFAUYMGJHRMV-UHFFFAOYSA-N 340.449 1.277 0 40 EDAB CCN=c1nc(N2CCN(c3ccn4nccc4n3)CC2)cc(C)[nH]1 1889139222 ZOPPYRXIOJBGDN-UHFFFAOYSA-N 338.419 1.008 0 40 EDAB Cc1ccc(S(=O)(=O)NC2CN(c3cnccn3)C2)cc1Cl 1259137337 OYQKWKZCNGRZHN-UHFFFAOYSA-N 338.820 1.606 0 40 EDAB O=C(c1cc2cc(F)ccc2[nH]1)N1CC[C@](O)(CN2CCOCC2)C1 1848352452 IMKHNXAPMMBWAK-SFHVURJKSA-N 347.390 1.216 0 40 EDAB CSCC(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 29277477 ZWYBNKWONUXZBX-UHFFFAOYSA-N 332.429 1.744 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC)ccc2C)CCO1 30852066 NBIYHARZLORPLG-GFCCVEGCSA-N 326.418 1.154 0 40 EDAB Brc1cnc(OC[C@@H]2CCCN(C3COC3)C2)nc1 1776009408 JFSNISZRUOPLTF-SNVBAGLBSA-N 328.210 1.729 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)c1cc(N2CCOCC2)ncn1 243585116 OQSOEJAPQSQQRY-UHFFFAOYSA-N 328.328 1.294 0 40 EDAB CN(CCN1CCOCC1)c1cc(Br)c2nonc2c1 78549635 RBABDAVDEXTEQC-UHFFFAOYSA-N 341.209 1.754 0 40 EDAB CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C 426935 AEYMMMCPMGPYRP-UHFFFAOYSA-N 348.428 1.329 0 40 EDAB O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(F)c(Cl)c1 5251111 MLTXAFDBWFJPBH-UHFFFAOYSA-N 341.770 1.546 0 40 EDAB Cc1ccc(OCC2CCN(c3ccc4nnc(C)n4n3)CC2)nn1 1775965582 DYVVRHIUAWEGMK-UHFFFAOYSA-N 339.403 1.827 0 40 EDAB O=C1C[C@H](CN2C(=O)NC3(CCCC3)C2=O)CN1Cc1ccccc1 348934644 ABAZIGJSZPTWII-HNNXBMFYSA-N 341.411 1.900 0 40 EDAB COc1ccc(Nc2nc(NCCCO)nc3nccnc23)cc1 9074368 GQKDRRBQDVYVFL-UHFFFAOYSA-N 326.360 1.966 0 40 EDAB COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1N2C(=O)O 100145024 PNJFEOGCMIEFTL-MQYQWHSLSA-N 333.340 1.916 0 40 EDAB biogenic CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)C(=O)O 248255651 ODAIHABQVKJNIY-DGTMBMJNSA-N 340.420 1.462 0 40 EDAB COc1ccc(OC[C@H](O)Cn2c(=N)n(C)c3ccccc32)cc1 20080418 KLQZVKCCWUEBLF-CYBMUJFWSA-N 327.384 1.908 0 40 EDAB CC[C@H]1CN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)CCO1 30853661 XFPPQBSJANWSKM-HNNXBMFYSA-N 327.384 1.792 0 40 EDAB O=C(NCc1nnc2ccccn12)Nc1ccc(-n2cnnn2)cc1 40477708 WYUZPUKYOODWRI-UHFFFAOYSA-N 335.331 1.027 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(S(C)(=O)=O)cc1 40526559 XZJJZSFTPGZQFZ-SNVBAGLBSA-N 327.406 1.126 0 40 EDAB CC(C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 40501192 VAEIHWXCKQZAQJ-UHFFFAOYSA-N 337.445 1.286 0 40 EDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(OC)ccc1OC 66925 CUQSDKVSMYMOEG-CQSZACIVSA-N 345.359 1.542 0 40 EDAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCO[C@H](Cn2cncn2)C1 70011628 NKDHIXMTQAIXPI-HIFRSBDPSA-N 340.387 1.790 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1CNC[C@@H]1CN(C)CCO1 69347394 HWPNVMVXPWAQRJ-GOSISDBHSA-N 328.460 1.968 0 40 EDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1coc2ccccc12 91953529 XOYLKMLRZHPVPG-CYBMUJFWSA-N 336.413 1.168 0 40 EDAB COC(=O)c1ccccc1NC(=O)c1cc(F)ccc1-n1cnnn1 20738756 OTVBGXVAQPXUDW-UHFFFAOYSA-N 341.302 1.840 0 40 EDAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N(CCO)CCO 41096547 LNRYYGJUDZZVHO-UHFFFAOYSA-N 345.461 1.492 0 40 EDAB Cc1cc2c(=O)n(-c3cccc(Cl)c3)c(=O)n(CC(N)=O)c2s1 41090849 CYIATCXXSDIDRY-UHFFFAOYSA-N 349.799 1.661 0 40 EDAB Cc1nc(NCCCNS(C)(=O)=O)c2c(C)c(C)sc2n1 32770083 VDUSOHZODQEVST-UHFFFAOYSA-N 328.463 1.968 0 40 EDAB Cc1cc(C(F)(F)F)nn1CCc1nc2c3cn[nH]c3ncn2n1 6412854 SNCIHCJXVPGZRT-UHFFFAOYSA-N 336.281 1.767 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 6416132 QAINGIZLZNVEEK-LLVKDONJSA-N 347.396 1.091 0 40 EDAB C[C@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc2c(c1)CCC2 52491997 SJQOIOIOYXGIRT-XHDPSFHLSA-N 336.409 1.724 0 40 EDAB Cc1nn(C)c2cnn(CCNC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c12 57279869 GEDKMUIIQDLPGA-VXGBXAGGSA-N 333.392 1.085 0 40 EDAB CCOCCCNCc1cc(Cl)c(OCC(N)=O)c(OC)c1 8253137 NJEPBFWGVZRZDM-UHFFFAOYSA-N 330.812 1.729 0 40 EDAB O=C1C[C@H](Cc2ccc(C(=O)NC[C@@H]3Cc4ccccc43)cc2)C(=O)N1 102715175 XRSMFIKOCVBQPN-IRXDYDNUSA-N 348.402 1.962 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)CSC2=NCCS2)c1 10863307 GWEBHBLFWIZSQA-UHFFFAOYSA-N 331.444 1.109 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 46877316 KTMPGOUTJSLGIL-SJLPKXTDSA-N 343.471 1.883 0 40 EDAB CN(C)c1cc(NCc2cnc3n2CCN(CC2CC2)CC3)ncn1 104839393 QWIZXCYZCVSIGZ-UHFFFAOYSA-N 341.463 1.619 0 40 EDAB CC1(C)NC(=O)N(Cc2ccc(CNC(=O)[C@H]3CCCO3)cc2)C1=O 53127009 RBJRQNJIRILDPW-CQSZACIVSA-N 345.399 1.312 0 40 EDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@@H]1c1cccc(Cl)c1 53157704 XPLROSQDSSLTLJ-CQSZACIVSA-N 344.864 1.767 0 40 EDAB COCCN1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 53844872 YMIHMVZVQMHRED-HNNXBMFYSA-N 337.439 1.609 0 40 EDAB O=C(OC1CCCCC1)C1CCN(c2ccc3nnnn3n2)CC1 22957570 RGERJKZTGFBXKC-UHFFFAOYSA-N 330.392 1.612 0 40 EDAB Cn1cncc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 177231890 ZIKULXNJJZBXEY-UHFFFAOYSA-N 334.445 1.068 0 40 EDAB O=C1CCc2ccccc2N1CCC(=O)N1CCOC[C@H]1C1CC1 89976897 IMZDMJSYUSZSDC-KRWDZBQOSA-N 328.412 1.993 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1cccnc1-n1cccn1 23171133 PKVDNMBZXVMFIR-UHFFFAOYSA-N 346.350 1.616 0 40 EDAB c1cc(CN2CCOC[C@]3(C[C@@H](CN4CCCC4)CO3)C2)ccn1 107738837 MDFLFNLRLXNNOU-OALUTQOASA-N 331.460 1.785 0 40 EDAB Cc1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c2c(C)noc2n1 75606129 ZXRGJKKRIOGTBS-GJZGRUSLSA-N 344.415 1.511 0 40 EDAB Cc1cnc(CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)o1 75741317 NJDFLKPASLKTQR-KRWDZBQOSA-N 340.427 1.906 0 40 EDAB Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](CC(N)=O)C2)N(C)C)cc1 76093969 PYUIJYOEYVCNEN-NVXWUHKLSA-N 346.475 1.895 0 40 EDAB C[C@H]1Cc2cc(C(=O)NC[C@H]3CCOC3)ccc2N1S(C)(=O)=O 106060399 NNPNEQXPRGSLNW-NWDGAFQWSA-N 338.429 1.164 0 40 EDAB CC(C)CN1C[C@H](C(=O)N2CCC(Cc3nncn3C)CC2)CC1=O 55371187 OOTZVZXJTKVIPJ-OAHLLOKOSA-N 347.463 1.101 0 40 EDAB CCc1ccc(C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)o1 25123531 FVOVWOJJLPDXQP-UHFFFAOYSA-N 328.328 1.380 0 40 EDAB CC[C@@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1C[C@H](C)O 106868191 KPAXHFYQWYNUNS-JKSUJKDBSA-N 340.489 1.237 0 40 EDAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1noc(C2CC2)n1 57843635 QCPMSGANWQZDGB-JTQLQIEISA-N 336.417 1.787 0 40 EDAB Cc1cc(CN2CCN(C[C@H](O)COCc3ccccc3)CC2)no1 57946555 KHQMAJFUMVYXIZ-IBGZPJMESA-N 345.443 1.678 0 40 EDAB COC(=O)c1occc1CN1CCN(C(=O)Cc2ccccc2)CC1 78303347 FRHUHSKDOQHLBI-UHFFFAOYSA-N 342.395 1.953 0 40 EDAB CCN1CCC(NC(=O)CN2CCN(Cc3ccccc3)CC2)CC1 22914884 WXWCTMODQKIMOP-UHFFFAOYSA-N 344.503 1.405 0 40 EDAB CNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1 44866478 MTBCYJBNIOBRPJ-AAEUAGOBSA-N 340.445 1.912 0 40 EDAB Cc1csc(NC(=O)CN2CCC(c3nnc4n3CCC4)CC2)n1 58210594 HGERPIHUYPZWSG-UHFFFAOYSA-N 346.460 1.807 0 40 EDAB Cc1cc(CN(C)C(=O)c2nc(S(C)(=O)=O)n3ccccc23)no1 58246287 RTYXEIZMJNYCQA-UHFFFAOYSA-N 348.384 1.306 0 40 EDAB O=C(CNC(=O)c1cc(-c2ccccc2)on1)NCc1ccccn1 58202408 MZECVVFTUQJRLT-UHFFFAOYSA-N 336.351 1.783 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O 44944253 ROIIWQLBEHYWRW-KRWDZBQOSA-N 337.339 1.828 0 40 EDAB C[C@@H](NC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCO1 44970932 SSWUPAOYWOAMJQ-RISCZKNCSA-N 330.388 1.632 0 40 EDAB COCc1ccccc1CNS(=O)(=O)c1ncn(C)c1Cl 28055348 ZCNUDEBCCQKWFE-UHFFFAOYSA-N 329.809 1.698 0 40 EDAB COCCn1nc(C)c(CNCc2c(C)nn(C)c2N(C)C)c1C 58428074 DYTRASMRXHHWBE-UHFFFAOYSA-N 334.468 1.544 0 40 EDAB NC(=O)[C@H](OC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 10751216 AQUNEDYEUYBIPW-MRXNPFEDSA-N 340.335 1.754 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1F 12603010 SIMXXCSHJIABPD-KBPBESRZSA-N 330.359 1.702 0 40 EDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC1CCC(O)CC1 12794811 LZQPBRSDKZEZQB-HTWSVDAQSA-N 332.444 1.790 0 40 EDAB COC(=O)c1cc(CN(C)CCN2C(=O)NC(C)(C)C2=O)oc1C 48253262 VVAGAMRXQFNEMT-UHFFFAOYSA-N 337.376 1.137 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1nn(-c3ccccc3)c3c1CCC3)C2 69560328 MQZIJEFSFRZLFZ-UHFFFAOYSA-N 348.410 1.917 0 40 EDAB COc1cccc(COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 3439647 GJJFBXDNOBRFSA-UHFFFAOYSA-N 340.335 1.442 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)Nc3cc(C)n[nH]3)CC2=O)cc1 69581380 KZLUTJWPSYLYLY-CYBMUJFWSA-N 328.372 1.714 0 40 EDAB Cc1cc(C)n(-c2cccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)c2)n1 69513547 YJJLUQUDHUYGNU-CYBMUJFWSA-N 333.413 1.862 0 40 EDAB CC1(C)Cc2ccc(C(=O)N3CCC(CC(N)=O)CC3)c(O)c2O1 69599960 XXDVKGUPLCHLMQ-UHFFFAOYSA-N 332.400 1.833 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F 13000334 PZPGKTRASMCJKR-CQSZACIVSA-N 334.372 1.427 0 40 EDAB C[C@@H]1CN(CC(=O)NCc2ccccc2)CCN1Cc1nccn1C 69619102 AAQSAYCWIKSTHG-MRXNPFEDSA-N 341.459 1.243 0 40 EDAB c1cncc(-c2noc(CN3CCC[C@H](Cn4cncn4)C3)n2)c1 69622475 FRCQLBQSEWZESK-ZDUSSCGKSA-N 325.376 1.635 0 40 EDAB CC(C)OCCOC[C@H](O)CN(C)CCC(=O)Nc1ccccc1 69947846 GOGPGRGXGUIYJF-QGZVFWFLSA-N 338.448 1.750 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)c2ncccc2O)CC1 69952283 IQUIVUNRARPSFR-UHFFFAOYSA-N 329.404 1.352 0 40 EDAB CC[C@H](CNS(=O)(=O)c1cccc(C(=O)O)c1)N1CCCC1 65443079 AGHVNUXQEHOPKG-CYBMUJFWSA-N 326.418 1.538 0 40 EDAB Cc1csc([C@@H]2CN(CC(=O)Nc3c(C)n[nH]c3C)CCO2)n1 65466821 CXCOHQITNSZODV-LBPRGKRZSA-N 335.433 1.803 0 40 EDAB Cc1occc1C(=O)N1CCN(c2ncnc3c2CN(C)CC3)CC1 65474234 ZTAJHVWGRQOHNU-UHFFFAOYSA-N 341.415 1.328 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)N1CCC[C@@H](N2CCCC2)C1 65443140 ILQUZOOEWFHQNS-OAHLLOKOSA-N 341.419 1.754 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(C)CCC(F)(F)F 65552516 GROWYOLVEUNEQP-UHFFFAOYSA-N 330.310 1.593 0 40 EDAB COCCN1CC[C@@H](CNC(=O)COCc2ccccc2Cl)C1 65586466 CMSOWZKGBYNECA-AWEZNQCLSA-N 340.851 1.941 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 65591152 FRCULRRVUCPGON-ZIAGYGMSSA-N 341.411 1.638 0 40 EDAB COc1cccc(OC)c1C(=O)N[C@H]1N[C@H](C(=O)O)C(C)(C)S1 4553412 SXSPMOIXMWGNIR-BXUZGUMPSA-N 340.401 1.285 0 40 EDAB Cc1cccc(C)c1OCCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1 65604302 KJYJAGPQKHAEHY-AWEZNQCLSA-N 340.445 1.511 0 40 EDAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 15318385 JOWFKYKNSGBTIH-UHFFFAOYSA-N 336.351 1.994 0 40 EDAB O=C(NCc1ccncc1)C1CCN(c2ncnc3[nH]cnc23)CC1 9060383 KNBUPSPFDMAMHM-UHFFFAOYSA-N 337.387 1.281 0 40 EDAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 7223430 PYCZINQUQRKZPJ-LLVKDONJSA-N 349.412 1.782 0 40 EDAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)CC(=O)NC(C)(C)C 7659537 OIHSELMKQSJQQU-GFCCVEGCSA-N 349.431 1.631 0 40 EDAB CCNC(=O)N1CCN(C(=O)Cc2nc(-c3ccco3)oc2C)CC1 68251277 QKXBDSGOTAXDBR-UHFFFAOYSA-N 346.387 1.659 0 40 EDAB O=S1(=O)CC[C@H](NCc2cc(Cl)c3c(c2)OCCCO3)C1 7984355 YDSJPLVHENPOLR-NSHDSACASA-N 331.821 1.778 0 40 EDAB O=C(O)CCCNC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O 71283680 VRUWGDUUGRCDEZ-UHFFFAOYSA-N 349.774 1.545 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1ncccn1 8069719 UKBGXMSTFFJJDP-UHFFFAOYSA-N 331.397 1.999 0 40 EDAB CCn1c(=O)[nH]c2cc(C(=O)NCCc3ccncc3)ccc2c1=O 78954515 FDQIKNXUVNPXNZ-UHFFFAOYSA-N 338.367 1.077 0 40 EDAB CCc1nnc2n1CCN([C@@H](C)C(=O)N1CCc3sccc3C1)C2 71871950 KNMQJNTXMIUDNJ-LBPRGKRZSA-N 345.472 1.691 0 40 EDAB CC(C)c1nnnn1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 71839283 LABSHZFBEULLOM-AWEZNQCLSA-N 333.367 1.536 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCN(CC2CC2)CC1 71821590 RYNRHZVMBRYZIM-UHFFFAOYSA-N 348.428 1.119 0 40 EDAB CN1CCC[C@@H]1[C@H]1CCCN1C(=O)Cn1c(=O)n(C)c2ccccc21 71870385 ULPLUSSCDZMTGX-GDBMZVCRSA-N 342.443 1.425 0 40 EDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 71866055 RWXWEBUWYGGNHH-HUUCEWRRSA-N 336.461 1.494 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H](C)Cn2ccnc2)n[nH]1 78986591 SUZHBENMUHYZKM-LLVKDONJSA-N 341.419 1.690 0 40 EDAB CCNC(=O)CN1CCN(C(=O)[C@H](C)c2cc3ccccc3o2)CC1 79013026 RUIUWKAZEUTPBI-CQSZACIVSA-N 343.427 1.817 0 40 EDAB C[C@@H](NC(=O)CNC(=O)c1cccs1)[C@@H](O)c1ccc(F)cc1 97020191 KERKVNWCBBBCGN-MEBBXXQBSA-N 336.388 1.855 0 40 EDAB O=C(CN1CCCC[C@@H]1CCO)NCCc1c(F)cccc1F 72275087 LIEJZWDVIANLNT-CYBMUJFWSA-N 326.387 1.860 0 40 EDAB Cc1cc(=O)n(C)cc1NC(=O)c1cnn(-c2ccc(F)cc2)n1 79590809 ABQXDRVVWJRTBF-UHFFFAOYSA-N 327.319 1.666 0 40 EDAB C[C@@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1F 97163100 LXHLLWFCPUATOH-MRVPVSSYSA-N 338.198 1.998 0 40 EDAB CC(=O)N[C@H](CC(=O)N[C@@H]1CCc2nccn2C1)c1cccs1 97197961 QWYONLKQHOBGTK-CHWSQXEVSA-N 332.429 1.643 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)NCC1CCC(C(N)=O)CC1 72314205 AVTAWSWCHRTUNK-UHFFFAOYSA-N 327.425 1.309 0 40 EDAB O=C(c1cc2c(cc1O)OCO2)N1CCC(Nc2cccnn2)CC1 84429218 NVZNGBUOCMFBQH-UHFFFAOYSA-N 342.355 1.628 0 40 EDAB COCc1nc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)cs1 72577513 QCECTUPODOKDDL-NSHDSACASA-N 333.479 1.051 0 40 EDAB O=C([C@H](c1ccccc1)n1cnnn1)N1CC[C@]2(O)CCCC[C@@H]2C1 95477244 GJTKTPCXOPOAOU-SOLBZPMBSA-N 341.415 1.416 0 40 EDAB C[C@@H](CCC(=O)O)NC(=O)c1cccn(Cc2ccccc2)c1=O 95991892 BLVUKDVVPSFQAS-ZDUSSCGKSA-N 328.368 1.880 0 40 EDAB CC(=O)N1CCC(C(=O)NCc2cc[nH]n2)(c2ccccc2)CC1 95954211 HGWIWVUFYOGYGT-UHFFFAOYSA-N 326.400 1.606 0 40 EDAB Cc1nnc2ccc(N[C@@H]3CCN(c4c(F)cccc4F)C3=O)nn12 88765517 RHULTMYYLUWKRH-GFCCVEGCSA-N 344.325 1.928 0 40 EDAB CNC(=O)c1cccnc1NC[C@@H](O)CN1CCc2ccccc2C1 89392124 DPGNBKJBEBQEMJ-MRXNPFEDSA-N 340.427 1.272 0 40 EDAB COc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)c(OC)c1 4342870 WNWZAJDOAPWELA-FRQROOTJSA-N 345.351 1.070 0 40 EDAB CCOc1cccc(S(=O)(=O)N2CCC[C@@H](CC(=O)O)C2)c1 515673524 PVPHOGKITMNULX-LBPRGKRZSA-N 327.402 1.961 0 40 EDAB Cc1ccccc1-n1ccnc1S(=O)(=O)Cc1nnnn1C1CC1 78441991 CJWDEPKPDOQXSW-UHFFFAOYSA-N 344.400 1.476 0 40 EDAB C[C@@H](O)CNS(=O)(=O)CC1CCN(Cc2ccc(F)cc2)CC1 521396851 NLDFXSMOIJEZMW-CYBMUJFWSA-N 344.452 1.338 0 40 EDAB O=C(c1ncccn1)N1Cc2ccnn2[C@H](CN2CCCCC2)C1 306141217 VONRDTNPEOIZQB-OAHLLOKOSA-N 326.404 1.356 0 40 EDAB COc1c2c(c(CNC(=O)CC(C)C)c3c1C(=O)N(C)CC3)OCO2 524731067 JEXMNMRGOIKFRN-UHFFFAOYSA-N 348.399 1.714 0 40 EDAB biogenic COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)[C@H](C)n1cnnn1 524734768 KZZSHLZWHFXGIB-ZUZCIYMTSA-N 340.387 1.918 0 40 EDAB COc1cc(N2CCN(c3ncnc4c3CCCC4)CC2)ncn1 359961367 RXUONGZAAHXJJT-UHFFFAOYSA-N 326.404 1.481 0 40 EDAB CCc1nccn1-c1cccc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 72379187 BOZFSEWVCDOYKV-CQSZACIVSA-N 349.460 1.773 0 40 EDAB CC(=O)N[C@@H]1CCN(C(=O)NCc2ncc(-c3ccccc3)o2)C1 519593384 NEARPMDIAAASAX-CQSZACIVSA-N 328.372 1.762 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCC2)c(C(=O)O)c1 217666989 YEGGDWBOXFLXSE-LLVKDONJSA-N 342.417 1.298 0 40 EDAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)COC)nc1C 72345492 HREVMOQSPCFPMJ-OAHLLOKOSA-N 348.447 1.967 0 40 EDAB O=C(Cc1ccco1)N1CCC[C@@H]1CN=c1ccc2ncc[nH]c-2n1 1063510329 XILBOCNJFJBWSK-CYBMUJFWSA-N 337.383 1.637 0 40 EDAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCS(C)(=O)=O 79607105 OUJQORUFGQAZTF-UHFFFAOYSA-N 341.820 1.609 0 40 EDAB COCCN1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC)CC1 78979411 WESBXAPKFOYSAT-SJORKVTESA-N 332.444 1.979 0 40 EDAB CN1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)Nc3ccccc3)O2)CC1 30879047 XOPUMZFLYPVYHA-BZSNNMDCSA-N 347.459 1.171 0 40 EDAB biogenic,in-vitro CCn1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)n1 72237852 ZUPOSBOJGFHJNS-JKSUJKDBSA-N 328.372 1.440 0 40 EDAB C[C@H](CO)N(C)Cc1csc(Cn2ncc3ccccc3c2=O)n1 521396481 AJKBBESEWCJEKU-GFCCVEGCSA-N 344.440 1.714 0 40 EDAB Cc1nc(CNC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)no1 527777977 RSXLHHNCARJNJF-UHFFFAOYSA-N 340.387 1.891 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1 75162058 BFCCAYYZIIXLIH-UHFFFAOYSA-N 338.389 1.361 0 40 EDAB Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H](C)CCN1CCOCC1 96426498 XKGWLGXLPJTNLB-HNNXBMFYSA-N 343.431 1.416 0 40 EDAB CN(C)c1ncc2c(n1)[C@@]1(CCN(C(=O)c3ccccc3)C1)COC2 96100222 ZLGIQTVCDMZMGA-LJQANCHMSA-N 338.411 1.857 0 40 EDAB Cc1occc1C(=O)N1CCn2c(Cn3cncn3)cnc2[C@H]1C 96062099 ARZKFQVPOMBITP-LLVKDONJSA-N 326.360 1.641 0 40 EDAB COc1ncc(Cl)c(N2CCN(c3cc(C)nc(C)n3)CC2)n1 95426150 MJUPXQXWSMDRHY-UHFFFAOYSA-N 334.811 1.872 0 40 EDAB C[C@@H](c1cccnc1)N1CCN(C(=O)CCCn2ccnc2)CC1 96406226 KBPXPCMIRUFWGF-INIZCTEOSA-N 327.432 1.964 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccccn2)C1 96041277 AYKPRCYMRXKKDL-BMGDILEWSA-N 341.411 1.970 0 40 EDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)c4cccn4C)C[C@H]32)cs1 96248772 SSEKAEITTLZERZ-CVEARBPZSA-N 346.456 1.515 0 40 EDAB O=C(c1ccccc1F)N1CCC(NC(=O)C2(C(=O)O)CCC2)CC1 581945834 PTRAFQXQOKLVRC-UHFFFAOYSA-N 348.374 1.801 0 40 EDAB Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)Cc2cccs2)C3)n1 96038743 VWNZNRIRYJETAJ-CZUORRHYSA-N 333.413 1.941 0 40 EDAB O[C@H](CNCCN1CCOCC1)CO[C@@H]1CCCc2ccccc21 96121167 JQLAFNNWVHJEGS-IEBWSBKVSA-N 334.460 1.363 0 40 EDAB COCCNc1oc2c(c1-c1cccc(F)c1)c(=O)n(C)c(=O)n2C 95116707 ANIQOBAGYDTLBH-UHFFFAOYSA-N 347.346 1.695 0 40 EDAB COc1cccc([C@@H](O)CN2CCN(c3cc(C)nc(C)n3)CC2)c1 96406576 UPAZLEHGIYYSSO-SFHVURJKSA-N 342.443 1.958 0 40 EDAB Cn1nc(CC(=O)N(CC(=O)O)C2CCOCC2)c2ccccc21 580311931 XACVMFVGVWJEJM-UHFFFAOYSA-N 331.372 1.208 0 40 EDAB CC(C)[C@H](C(=O)NC[C@H]1CCCO1)n1nnc2ccccc2c1=O 95477457 GWKTVOXENTUHOR-IUODEOHRSA-N 330.388 1.284 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cn1 96041363 VCTZHLDDWHUJLP-BZSNNMDCSA-N 328.416 1.764 0 40 EDAB Cc1cncc(C(=O)N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)c1 96110934 PFINLVJXJVVQPF-ZWKOTPCHSA-N 341.411 1.956 0 40 EDAB CCOC(=O)[C@H]1Cc2cccc(F)c2N(CCN2CCCC2=O)C1 583651017 FGEPHQZYCCHCHP-AWEZNQCLSA-N 334.391 1.990 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 247550528 VSQHMDUGLXJQHN-AWEZNQCLSA-N 340.445 1.681 0 40 EDAB CN(C)C(=O)CO[C@H]1CN(Cc2ccccc2F)Cc2ccnn2C1 248016056 QFPXDBFDIYJTDT-INIZCTEOSA-N 346.406 1.511 0 40 EDAB CN(C[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(c2ccccc2)C1=O 248103755 IDWUMCBLDAHHFT-ZBFHGGJFSA-N 336.457 1.549 0 40 EDAB CN1C(=O)CO[C@@H]2CCN(C(=O)c3ccccc3C(F)(F)F)C[C@@H]21 257287925 PSBJHAFLLCTDOI-QWHCGFSZSA-N 342.317 1.777 0 40 EDAB Cc1ccnc([C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257228105 FSHLVGDGNYXSEE-INIZCTEOSA-N 340.431 1.749 0 40 EDAB C[C@H](C(=O)NCc1ccn(C)n1)n1cc(COc2ccccc2)nn1 257173266 IAIVGYAMTMHEKV-CYBMUJFWSA-N 340.387 1.468 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCc1cnn(C)c1 253370423 QTZXZZULMVKTEG-CRAIPNDOSA-N 341.459 1.782 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)c1cscn1 257221503 DPIULWJELJRHNK-INIZCTEOSA-N 332.429 1.642 0 40 EDAB COc1ccc(Oc2cncc([C@H]3CCCN3C(=O)CN)n2)cc1 257285664 PIEBIZMQIMREOZ-OAHLLOKOSA-N 328.372 1.900 0 40 EDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2ccn(C)n2)n1 257323117 WIVCBCNMTRPWGV-MRXNPFEDSA-N 327.388 1.429 0 40 EDAB Cc1ncccc1O[C@H]1CCN(C(=O)Cc2cccnc2)CC[C@@H]1O 257303829 SIXFUMZIUBWGHV-WMZOPIPTSA-N 341.411 1.758 0 40 EDAB C[C@](O)(CCc1ccccc1)C(=O)Nc1ccc2c(c1)B(O)OCC2 584918869 DMVASQYIDBZRIY-IBGZPJMESA-N 339.200 1.269 0 40 EDAB COC(=O)c1ccc(Br)cc1CN1CCS(=O)CC1 252492011 MAZIQXPJTWLTQH-UHFFFAOYSA-N 346.246 1.800 0 40 EDAB CN(C)C(=O)CN1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 257212846 CFEVJZGTTUEBBC-BXWFABGCSA-N 329.444 1.949 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)N2C[C@@H]3CN(C(C)=O)C[C@@H]3C2)c1 585085882 NRNOWDKZSGVPRB-RRQGHBQHSA-N 344.411 1.593 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)NCc1nc([C@@H]2CCOC2)n[nH]1 585138097 NYZVPEQVRZUTKD-SNVBAGLBSA-N 340.380 1.235 0 40 EDAB CCCCNS(=O)(=O)c1cccc(NC(=O)C(OC)OC)c1 585121299 LIVSSYDLTYOWQB-UHFFFAOYSA-N 330.406 1.322 0 40 EDAB Cc1nnc2[nH]nc(NS(=O)(=O)c3cnn(C(C)C)c3)c2c1C 585129545 NERHPBFVRRQXEX-UHFFFAOYSA-N 335.393 1.548 0 40 EDAB C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)[C@@H]1CN(C)CCN1C 585125794 FXYLIAWERCWEBP-KWQFWETISA-N 333.329 1.607 0 40 EDAB CCc1noc(C)c1C(=O)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257251281 JQCLLPFNXXOWQC-GFCCVEGCSA-N 346.387 1.372 0 40 EDAB CCC(=O)c1ccc(N2CCC[C@H]2C[C@H](C)O)c(S(N)(=O)=O)c1 252497947 QRVGDUGURDSQLO-AAEUAGOBSA-N 340.445 1.666 0 40 EDAB Cc1ncccc1O[C@H]1CCN(C(=O)CC2CCOCC2)CC[C@@H]1O 257201099 AGGYEKBGTILUIF-WMZOPIPTSA-N 348.443 1.937 0 40 EDAB COC[C@H](O)CNC(=O)NCC1(N2CCSCC2)CCCCC1 252496963 PWRFHWLVHLRQQT-CQSZACIVSA-N 345.509 1.045 0 40 EDAB O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(C(=O)O)nc1 590432964 JAVATPVMEBLBPU-UHFFFAOYSA-N 337.339 1.866 0 40 EDAB COCC(=O)N[C@@H]1CN(C(=O)CCC2(C)CC2)C[C@H]1c1ccnn1C 1615551078 WIQKHVCKLFYGPF-ZIAGYGMSSA-N 348.447 1.057 0 40 EDAB C[C@@H]1OC2(CCN(C(=O)CCc3ncc(C(C)(C)C)o3)CC2)NC1=O 1615592479 UICQFEPQIFASPT-LBPRGKRZSA-N 349.431 1.758 0 40 EDAB Cc1cc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c(C)o1 1615613792 CKQFZVXOTDGVMD-UHFFFAOYSA-N 327.402 1.316 0 40 EDAB O=C(O)Cn1cc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cn1 647745119 RABJWBMBMQFJFQ-OLZOCXBDSA-N 343.339 1.481 0 40 EDAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3cc(C)on3)C2)cc1 96121872 WERFRLXVOTVMEY-UHFFFAOYSA-N 336.369 1.290 0 40 EDAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)C(=O)Nc1ccon1 390829855 HBSKFJVKAUNHAQ-SNVBAGLBSA-N 347.352 1.784 0 40 EDAB C/C=C/C=C/C(=O)O[C@@H]1CCC=C[C@H](O)[C@H](O)[C@H](CCC)OC1=O 585660634 TXPRZPDVUZCNLB-IPQBOJSOSA-N 338.400 1.814 0 40 EDAB biogenic,in-vitro COc1ccc(CC(=O)N2CCN(c3nccc(OC)n3)CC2)cc1 47693975 HMGFVEKHBUOULE-UHFFFAOYSA-N 342.399 1.385 0 40 EDAB O=C(CCN1CCC[C@H](N2CCNC2=O)C1)Nc1cccc(F)c1 69776211 WDKVAXSQNLOACQ-HNNXBMFYSA-N 334.395 1.644 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N(C)CC(=O)N(C)C)cc2)n1 71845451 KEMSXAUVSAYHLB-UHFFFAOYSA-N 328.416 1.708 0 40 EDAB NC(=O)c1cnc(N2CCC[C@H]2C(=O)NCc2ccco2)c(Cl)c1 71904093 PEANVCMQSJYIFX-ZDUSSCGKSA-N 348.790 1.712 0 40 EDAB C[C@H]1CO[C@@H](CO)CN1Cc1nc2cc(Br)ccc2[nH]1 97099740 PMXNGUDGFVVYPN-GXSJLCMTSA-N 340.221 1.907 0 40 EDAB CNC(=O)C1(NS(=O)(=O)N2CCC[C@@H]2c2ccco2)CCCC1 83881790 GJNQDJMFRFBUFU-GFCCVEGCSA-N 341.433 1.310 0 40 EDAB CCS(=O)(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O 85467479 BYCIOGLLIYRZHH-CQSZACIVSA-N 328.409 1.299 0 40 EDAB Cc1cc(N2CCN(c3nc(C)nc(C)c3C)CC2)n2ncnc2n1 301680009 JETVYCYCNGMZJF-UHFFFAOYSA-N 338.419 1.475 0 40 EDAB C[C@H]1CCCCN1C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 1615054641 PEBMYSIUSBZHCC-ZDUSSCGKSA-N 333.436 1.609 0 40 EDAB CC(=O)N[C@H](CC(=O)NS(=O)(=O)NC(C)(C)C)c1cccs1 1615571605 MYOPBZRTGBVUSH-SNVBAGLBSA-N 347.462 1.065 0 40 EDAB Cc1nnccc1C(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1615551159 ZWXAVTULTWJEFK-UHFFFAOYSA-N 332.404 1.077 0 40 EDAB N=c1cc[nH]cc1C(=O)N[C@H]1CC2(CCNCC2)Oc2ccccc21 1616035856 AMTLFFQBJLPMGC-INIZCTEOSA-N 338.411 1.870 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2 12145774 IPAOZEAGHNGFMF-UHFFFAOYSA-N 340.383 1.483 0 40 EDAB NC(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccc(Cl)cc3)c21 19337142 DOTTVWKUAOYJKQ-UHFFFAOYSA-N 344.762 1.013 0 40 EDAB O=S(=O)(C1CCCCC1)N1CCC[C@@H](Oc2cnccn2)C1 225477707 MIQSFUQDYMEGCK-CYBMUJFWSA-N 325.434 1.982 0 40 EDAB O=C(Cc1cccc(C(F)(F)F)c1)N1C[C@H]2C[C@H]1CS2(=O)=O 575605740 HBXUJBUNQDMBOU-NWDGAFQWSA-N 333.331 1.646 0 40 EDAB CN1CCN(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)CC1 3184040 BCXTYOYMULYMSJ-UHFFFAOYSA-N 335.301 1.816 0 40 EDAB Cc1cc(N2[C@H]3CC[C@H]2CC2(C3)CN(C)C(=O)[C@@H](C)O2)nc(C)n1 1888844145 PIFXSAFDPMGIOV-SNPRPXQTSA-N 330.432 1.841 0 40 EDAB Cc1cc(N2CCO[C@@H](C(=O)N3CCCC3)C2)n2nc(C)cc2n1 1888854194 HBUYJHXNYPNOAA-CQSZACIVSA-N 329.404 1.174 0 40 EDAB O=S(=O)(NC1CCN(c2nnc(C3CC3)s2)CC1)C1CC1 1889108837 GWMVKRQZRYTWCS-UHFFFAOYSA-N 328.463 1.466 0 40 EDAB COc1ccccc1OCC(=O)NCC1(N2CCOCC2)CCC1 1776008685 MEXFZSQULSCKFW-UHFFFAOYSA-N 334.416 1.445 0 40 EDAB COc1ccc([C@H](C)NC(=O)[C@H]2C[C@H](O)CN2)cc1Br 37045624 JUFBJGYGWFAQDT-PTOFAABTSA-N 343.221 1.358 0 40 EDAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)c1cc(F)ncc1F)C2 1614936538 ABPNLBKAPQJRTN-MEDUHNTESA-N 325.359 1.400 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@@H]2OCCN(c3cccnc3)[C@H]2CC1 1565548176 UZISJNDLMOYGEF-FLXSYLCISA-N 343.427 1.170 0 40 EDAB COC1(CC(=O)N2CCC3(CC2)CC(C(=O)NC2CC2)=NO3)CCC1 1565545802 OZBAARRPBFHDOH-UHFFFAOYSA-N 349.431 1.362 0 40 EDAB CC(C)OC[C@]12CCCO[C@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1565541709 NVWJGZGWIBEOKJ-GOEBONIOSA-N 347.477 1.244 0 40 EDAB O=C(N1C[C@H](OCCN2CCCC2)[C@H]2OCCC[C@H]21)C1(F)CC1 1565549416 QSUZIQBMFKHXDI-ILXRZTDVSA-N 326.412 1.359 0 40 EDAB Cc1nc(C(=O)N2CC[C@@]3(C[C@H]3C(=O)N3CCOCC3)C2)cs1 2055815400 ICWRISFHAUNAIH-BLLLJJGKSA-N 335.429 1.163 0 40 EDAB Cc1nc2ccc(C(=O)NCCn3nnc4ccccc4c3=O)cc2[nH]1 575615529 DVWGDOQDALAZRY-UHFFFAOYSA-N 348.366 1.406 0 40 EDAB O=C(NC1CCN(c2cnsn2)CC1)[C@@H]1COc2ccccc2O1 585148719 DJJOQXLVFYFPEO-AWEZNQCLSA-N 346.412 1.463 0 40 EDAB O=C(CN1CCC(NC(=O)C2CCC2)CC1)NCc1ccccc1 360193261 JORRMBLKPFXPSA-UHFFFAOYSA-N 329.444 1.684 0 40 EDAB O=C(NCCn1nc([C@@H]2CCNC2)c2nccnc21)c1ccccc1 19369065 IHTVYRSRZCSGBA-CQSZACIVSA-N 336.399 1.333 0 40 EDAB O=C(NCC[C@@H](O)c1ccco1)C(=O)NCc1ccccc1Cl 77112366 YSEVZBNCPAYCDW-CYBMUJFWSA-N 336.775 1.789 0 40 EDAB O=C1NCCC[C@@H]1NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 50634934 KPBGWCHSVLOKMW-AWEZNQCLSA-N 344.411 1.664 0 40 EDAB Cc1cc(C(=O)N2CCN(CC(C)C)CC2)c2c(C)nn(C)c2n1 40488173 KMICPUFELWEBAH-UHFFFAOYSA-N 329.448 1.999 0 40 EDAB OCCN1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1 40465778 QXKBTJMPZFPDBX-UHFFFAOYSA-N 326.824 1.611 0 40 EDAB Cc1nc(C)c(CC(=O)NCCc2ccc3c(c2)OCCO3)c(=O)[nH]1 40520777 GWUJHBLWIWFJIM-UHFFFAOYSA-N 343.383 1.059 0 40 EDAB C[C@@H](OC(=O)C1=NN(C)C(=O)CC1)C(=O)c1c[nH]c2ccccc12 17734376 POVSQEKNEYBQPL-SNVBAGLBSA-N 327.340 1.891 0 40 EDAB O=C(COc1ccccc1Cl)N1CCN(c2cnccn2)CC1 11544194 RJDSTKUIVYGHBT-UHFFFAOYSA-N 332.791 1.858 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1 29191763 YEHPTAFFLYJCDC-ZDUSSCGKSA-N 348.428 1.026 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cccc(S(C)(=O)=O)c1 46016432 SIQOHCQMLQFKIK-CQSZACIVSA-N 333.413 1.631 0 40 EDAB CCNC(=O)CN1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 29670849 XGAUZSWGBIDXII-UHFFFAOYSA-N 346.406 1.734 0 40 EDAB O=c1c(NCc2ccncc2)c(N2CCN(c3ccccc3)CC2)c1=O 101695099 XVFQIDOWJOCFRQ-UHFFFAOYSA-N 348.406 1.616 0 40 EDAB O=c1c(NCCCO)c(N2CCN(c3cccc(Cl)c3)CC2)c1=O 101702771 JZTCSABSAOFQGT-UHFFFAOYSA-N 349.818 1.057 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)c1cc2cnn(C(C)C)c2nc1C 32847949 JQPKOAWOEJESQG-LBPRGKRZSA-N 331.420 1.965 0 40 EDAB CNC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 6532433 HZXGGUFVXUJIPH-UHFFFAOYSA-N 329.385 1.820 0 40 EDAB COC(=O)C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1 6733525 VTPONXILNBKQOR-KKUMJFAQSA-N 345.399 1.893 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(C)cc1 6785272 NYLBQZKGVISDPZ-UHFFFAOYSA-N 334.397 1.581 0 40 EDAB CO[C@@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1ccc(C)c(F)c1)CCO2 107317452 JPCSOSOUMJCXRX-KFWWJZLASA-N 329.393 1.701 0 40 EDAB C[C@H](NC(=O)CN1CCN(CCO)CC1)c1cc2ccccc2o1 69705646 QBUWFPRFSRKAII-AWEZNQCLSA-N 331.416 1.220 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCC[C@H](C)C1 33182655 VHDAORXOFYZVCZ-QWRGUYRKSA-N 326.418 1.651 0 40 EDAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CCS(C)(=O)=O)C1=O 53138677 KIKAYNYAELVQQV-QGZVFWFLSA-N 346.408 1.651 0 40 EDAB O=C1CCC2(CCN(C(=O)c3ccncn3)CC2)CN1CC1CC1 108531737 ZYDHHMWOBZRAGZ-UHFFFAOYSA-N 328.416 1.731 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2ccccc2F)C1 58032051 CBSPUHZRYFCHLZ-AWEZNQCLSA-N 342.436 1.846 0 40 EDAB Cc1cc(NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)no1 22327436 LZMHIIIWYNTNIN-UHFFFAOYSA-N 330.392 1.452 0 40 EDAB O=C(NC[C@H]1CCCO1)c1sccc1S(=O)(=O)N1CCCC1 41947505 SPZHTCRCLAVYDY-LLVKDONJSA-N 344.458 1.441 0 40 EDAB O=C(C1=NO[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1cccs1 100354901 JYZNJESGLCRSBP-SMDDNHRTSA-N 326.333 1.875 0 40 EDAB CO[C@@H]1CCC[C@@H]1OC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102759635 RGGMYSQMHXLFKM-OLZOCXBDSA-N 334.397 1.947 0 40 EDAB O=C1COc2cc(C(=O)Nc3ccccc3-n3cncn3)ccc2N1 25002573 ITDCONBCSPWTHD-UHFFFAOYSA-N 335.323 1.851 0 40 EDAB Cc1cc(NC(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)n(C)n1 43434362 AHVOYRSZOKUGCZ-CQSZACIVSA-N 347.419 1.825 0 40 EDAB CN(C)C[C@@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)CCO1 106785947 LVMPCUAKXFVWFJ-IAGOWNOFSA-N 342.867 1.480 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2cn(C)c3ccccc23)CC1 25230824 IBRXKHSDHVMTLL-UHFFFAOYSA-N 328.416 1.119 0 40 EDAB C[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)C(=O)N1CCNC1=O 56186190 FIBYIDZTFLPJEM-IUODEOHRSA-N 333.388 1.597 0 40 EDAB NC(=O)c1cccc(OCC(=O)NC[C@H]2Cc3ccccc3O2)c1 56359613 UXTAVWXDVGAXIG-OAHLLOKOSA-N 326.352 1.284 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccccc1OC(F)F 102309192 RALRHHSCMSKXTK-BJDJZHNGSA-N 325.267 1.881 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)NC3CC3)CC2)c(OC)c1 55340619 QJUSPZWKDQTOGD-UHFFFAOYSA-N 333.388 1.334 0 40 EDAB COC(=O)c1cc(CNC(=O)CNC(=O)NCc2ccco2)oc1C 56890312 NRKNTSXXQJNDIF-UHFFFAOYSA-N 349.343 1.083 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 26205146 DSELPIMCXZXFPZ-ZDUSSCGKSA-N 347.440 1.374 0 40 EDAB CSc1nnc(C)n1NC(=S)NC(=O)/C=C/c1ccccc1 107974594 CPCUKJUQYDJUTH-CMDGGOBGSA-N 333.442 1.966 0 40 EDAB C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCn1ccnc1 108396728 MSMBPBSOTYUIHD-DOTOQJQBSA-N 327.432 1.703 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccnc1-n1cccn1 23170626 YDTVXVJSWMMPDZ-UHFFFAOYSA-N 347.334 1.502 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O 21733081 OTLAJIASUKHNTP-QGZVFWFLSA-N 345.330 1.502 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccncc2)CC1 44704535 IZWBLDCABKMZSA-OAHLLOKOSA-N 330.432 1.240 0 40 EDAB COc1cc(Br)ccc1CN1C[C@H]2OCCN(C)[C@@H]2C1 110712632 HKKKUBGLZGLDTK-UKRRQHHQSA-N 341.249 1.973 0 40 EDAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)NC[C@@H]1CCCO1 3229698 CJIDSECZIQQQMF-VIFPVBQESA-N 333.171 1.840 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CCN(c2nccs2)CC1 10270052 KEDCUXJNRHJWIY-UHFFFAOYSA-N 340.412 1.686 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)NCCNC(=O)Cc1ccccc1 58326464 JNKYSFXANLCGIN-AWEZNQCLSA-N 339.461 1.054 0 40 EDAB O=C(CNC(=O)c1ccccc1)NC[C@H]1CCN(CC(F)(F)F)C1 58331320 KSXULVPUYCXCOK-GFCCVEGCSA-N 343.349 1.417 0 40 EDAB COc1ccc(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 58394055 JJQULZLBBLYUFJ-KRWDZBQOSA-N 345.443 1.178 0 40 EDAB Cc1ccc(SCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1C 28086833 RWPHVZSXKPFCKO-UHFFFAOYSA-N 342.486 1.499 0 40 EDAB COCCCC(=O)NC1CCN(C(=O)Cc2cccc(OC)c2)CC1 58407265 JYWXSOLNRIVASJ-UHFFFAOYSA-N 348.443 1.772 0 40 EDAB COCCOC(=O)c1c(N)n(CCOC)c2nc3ccccc3nc12 2364164 NTHLXLRXYADYPT-UHFFFAOYSA-N 344.371 1.616 0 40 EDAB CC(C)CC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1ccnn1C 306138144 RQKPZCBCFPGKJS-CQSZACIVSA-N 348.447 1.204 0 40 EDAB O=C1CCC(=O)N1CCN1C(=O)S[C@@H](Nc2ccccc2)C1=O 9338844 FLPWBBSIQKKRRF-CYBMUJFWSA-N 333.369 1.269 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)c2nnnn2-c2ccccc2)on1 48230724 KEYLDJGJUSWYJY-NSHDSACASA-N 333.373 1.635 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NCc1ccnc(N2CCCC2)c1 48342243 YEROYJZPYSXRRF-AWEZNQCLSA-N 328.420 1.766 0 40 EDAB CCn1cc(Br)cc1C(=O)N1CCN(C[C@@H](C)O)CC1 69870750 CKDWOWBODALESR-LLVKDONJSA-N 344.253 1.409 0 40 EDAB O=C(Nc1cccc(SC(F)F)c1)C(=O)N1CCC(O)CC1 69872526 WXRLBOOGHZNCCF-UHFFFAOYSA-N 330.356 1.923 0 40 EDAB CCc1ccsc1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 69813336 AYGYGLXEUDLMIM-UHFFFAOYSA-N 345.424 1.597 0 40 EDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc2c(c1)OCO2 3531819 YRCBMOXSCNNONA-UHFFFAOYSA-N 342.138 1.918 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCc2nnc(N)cc2C1 69925464 DBOLYNSLYYDLPX-UHFFFAOYSA-N 335.371 1.146 0 40 EDAB C[C@@H](O)CNC(=O)C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 70677648 QZGVJAHRCPTHIZ-SECBINFHSA-N 346.305 1.361 0 40 EDAB Cc1ccc(C)c(-n2cnnc2SCC(=O)N2CCOCC2)c1 8710664 HIPLSEILGDYZQD-UHFFFAOYSA-N 332.429 1.835 0 40 EDAB CC/C(NNC(=S)Nc1ccccc1)=C1\C(=O)NC(=O)N=C1O 13865131 RCCZNSVIPYBENB-UHFFFAOYSA-N 333.373 1.348 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCOCC2)cc1 4372065 SRHKOHMDTDUQLS-CYBMUJFWSA-N 338.429 1.287 0 40 EDAB CN(C)c1ncnc2c1CN(Cc1nnc(-c3ccco3)o1)CC2 65465400 KNLLSKKEBIPHRH-UHFFFAOYSA-N 326.360 1.744 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@H]1COc2ccccc2C1 65552744 JLDXJQOLVWXHJN-MRXNPFEDSA-N 342.443 1.658 0 40 EDAB CCC(CC)NC(=O)CNC(=O)N[C@@]1(C(=O)O)CCc2ccccc21 65554043 CDPCDXPBSLLKPM-SFHVURJKSA-N 347.415 1.517 0 40 EDAB CC1(C)CC(=O)c2cc(C(=O)NCC[C@H]3CCCO3)c(=O)[nH]c2C1 65548251 ZUZLLSTWWIIGMP-LLVKDONJSA-N 332.400 1.829 0 40 EDAB C[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccc(-n2cncn2)cc1 14135011 OSMWQHIGXCTUTK-CYBMUJFWSA-N 347.382 1.889 0 40 EDAB O=C(CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)NC1CC1 14169176 PRSMJQUJIXZLFO-UHFFFAOYSA-N 340.427 1.133 0 40 EDAB CCOC(=O)[C@@]1(NC(=O)CCc2cnn(C)c2)CCc2ccccc21 70989052 JAARQNSWSGYNSM-LJQANCHMSA-N 341.411 1.874 0 40 EDAB NC(=O)N[C@H](CC(=O)NCc1ccc2c(c1)OCO2)c1cccs1 14202902 CJLKPVBTNOFKPE-LLVKDONJSA-N 347.396 1.893 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 4689550 GCNKGPXPROBMOC-GFCCVEGCSA-N 334.397 1.418 0 40 EDAB CC(=O)Nc1ccc(OC(=O)CN2C(=O)COc3ccccc32)cc1 14627991 WDHNGMWSBCNCEE-UHFFFAOYSA-N 340.335 1.976 0 40 EDAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccco2)c(=O)[nH]c1=O 14670047 NNZONHVJPKZPBA-UHFFFAOYSA-N 348.403 1.815 0 40 EDAB CCOc1ccc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1OC 9042558 IFQJYQDNEBTMRN-LLVKDONJSA-N 329.356 1.960 0 40 EDAB Cn1nncc1CN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 93007670 VEHUAZJYTUTDKV-UHFFFAOYSA-N 337.786 1.566 0 40 EDAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C)C[C@@H]2C3)cc1 306126668 FBPAMOQHBYFQJM-NWDGAFQWSA-N 327.388 1.273 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c1C 67827466 OXMVUBFDAULYCV-IAQYHMDHSA-N 327.384 1.989 0 40 EDAB Cc1cc(C)n(-c2nnc(SCC(=O)NC3CCCCC3)n2N)n1 7530422 USAHQEVLZKAQSR-UHFFFAOYSA-N 349.464 1.335 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1NC(C)=O 7667627 KVJPUVUHPNCLCR-GHMZBOCLSA-N 342.417 1.452 0 40 EDAB CCCCNC(=O)Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O 67300128 XUSVKLIGPUVXJP-UHFFFAOYSA-N 343.427 1.670 0 40 EDAB Cc1nccn1[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 70040885 VQCFPBZZPDEWNM-INIZCTEOSA-N 337.387 1.645 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)ccc1F 69352158 IJCURIQULKMDOR-HNNXBMFYSA-N 336.388 1.509 0 40 EDAB CC(C)(C)c1cc(NC(=O)CN2CCC[C@@H]2Cn2cncn2)on1 69484834 ODVIGXTZNHJBIZ-GFCCVEGCSA-N 332.408 1.667 0 40 EDAB COC(=O)c1ccoc1CN1CCC[C@H]1C(=O)NCc1ccco1 69419778 OGUQOKZGWNCSLM-AWEZNQCLSA-N 332.356 1.940 0 40 EDAB COc1cccc(C[C@@H]2NS(=O)(=O)c3ccccc3[C@@H]2O)c1OC 9576204 ZERNXQGWFDJTGH-BBRMVZONSA-N 349.408 1.640 0 40 EDAB O=C(c1ccnc(-n2cncn2)c1)N1CCCC[C@H]1Cn1cccn1 71865320 MIUUJPSVOJRJHV-HNNXBMFYSA-N 337.387 1.554 0 40 EDAB CC(=O)Nc1ccc(CCNC(=O)NCC(=O)NC(C)(C)C)cc1 71803101 FEGAVGZWAOGWTG-UHFFFAOYSA-N 334.420 1.401 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N1CCc2sccc2[C@@H]1C 71803268 INXIVNVLPFBDFB-NSHDSACASA-N 345.490 1.706 0 40 EDAB CCCN1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 71850297 HEOPMXVCDWOJCX-UHFFFAOYSA-N 328.420 1.149 0 40 EDAB Cc1cnn([C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 71882201 YSYIFAWBDREYEO-SDDRHHMPSA-N 349.460 1.918 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCn3c(nnc3C(C)C)C2)s1 71864931 SFFJJJBVEAGMSJ-UHFFFAOYSA-N 347.444 1.755 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)c1cc(-c3ccco3)n[nH]1)C2 71860211 XJCZCTIEHCWGGW-UHFFFAOYSA-N 338.371 1.724 0 40 EDAB Cc1csc(N2CCN(C(=O)[C@@H](C(C)C)n3cncn3)CC2)n1 71820875 XDKGSAJFSBWQOO-CYBMUJFWSA-N 334.449 1.589 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C)C(=O)Nc1ncccn1 71876674 CODGJESCGWBIEG-UONOGXRCSA-N 328.420 1.991 0 40 EDAB Cc1cc(NC(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)no1 75572745 VEQGBNHOYNQWHI-UHFFFAOYSA-N 325.328 1.805 0 40 EDAB CC(C)(CNC(=O)CCc1cccc(F)c1)N1CCS(=O)CC1 71907629 WPYHMVHFIMORGD-UHFFFAOYSA-N 340.464 1.717 0 40 EDAB CCc1nnsc1C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1 71908898 MASYGLGQOFYJRV-UHFFFAOYSA-N 344.440 1.760 0 40 EDAB Cc1ccccc1-n1nccc1NC(=O)N[C@@H]1CCCCNC1=O 97033244 BQQUYPIBYGXVLE-CYBMUJFWSA-N 327.388 1.971 0 40 EDAB O=C(CCCc1nc(C2CC2)no1)Nc1ccc(-n2cnnn2)cc1 72292302 YGPBMPJCOUJLBK-UHFFFAOYSA-N 339.359 1.884 0 40 EDAB CCc1csc([C@@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)n1 72282292 SVSKGUWTWFLSKM-CYBMUJFWSA-N 346.456 1.977 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccco2)CC1 72270864 MDLCYLSQHDDXRY-HOTGVXAUSA-N 339.395 1.692 0 40 EDAB CCOC(=O)[C@H]1CN(C(=O)c2ccoc2)CCN1C(=O)c1ccoc1 78879256 VSQUWFZHSYYULC-CQSZACIVSA-N 346.339 1.403 0 40 EDAB Cc1nc(CC(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)cs1 78900808 LDYXSQDRFIUZAK-SNVBAGLBSA-N 333.417 1.222 0 40 EDAB C[C@H](c1ccccc1)n1ccc(NC(=O)N2CCN(CCO)CC2)n1 95418815 AFGCKWXTOZLJAK-OAHLLOKOSA-N 343.431 1.634 0 40 EDAB O=C1NCCN(C[C@H](O)COCc2cccs2)[C@H]1c1ccccc1 95432170 QRLFYWBNAQIKEQ-RDJZCZTQSA-N 346.452 1.799 0 40 EDAB CCCS(=O)(=O)CC(=O)Nc1ccc(C(=O)OCC)cc1O 95400288 KXEWPXOFHLLBOE-UHFFFAOYSA-N 329.374 1.332 0 40 EDAB O=C(c1ccc(-n2cnnc2)cc1)N1CCN(c2cccc(O)c2)CC1 95429423 OQOFVHNIUBVBRO-UHFFFAOYSA-N 349.394 1.935 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(C(=O)CCC(C)(C)c2ccccc2)C1 95436270 OUUPHBCZXAXBCC-OAHLLOKOSA-N 338.473 1.895 0 40 EDAB Cc1cc(O)cc(=O)n1CCC(=O)NCc1cccc(N(C)C)c1 95964568 MZMLNWXHBWGIEL-UHFFFAOYSA-N 329.400 1.635 0 40 EDAB Cc1cnn(-c2cccc(N[C@H](C(=O)N3CCOCC3)C(C)C)n2)c1 95978574 PLZFSOIHZADGRH-KRWDZBQOSA-N 343.431 1.871 0 40 EDAB Cc1noc(-c2cccn(Cc3cc(=O)n4ccccc4n3)c2=O)n1 75166085 JHNXRXZWCVTVBN-UHFFFAOYSA-N 335.323 1.263 0 40 EDAB O=C(Cn1cnnn1)NCc1csc(CCc2ccccc2)n1 89832458 YMZIUAVFAXSIQC-UHFFFAOYSA-N 328.401 1.231 0 40 EDAB CCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408610347 TVCDTJRDZKYDCZ-ZDUSSCGKSA-N 342.461 1.977 0 40 EDAB O=C(CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NC1CC1 35307709 HNASEBFWVZYCDO-UHFFFAOYSA-N 336.823 1.768 0 40 EDAB CNc1snc(C)c1C(=O)NC[C@H](CC(C)C)N1CCOCC1 30603817 GFLONJLSHLHAGK-ZDUSSCGKSA-N 340.493 1.970 0 40 EDAB NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1cccc2cccnc12 32907248 OLZIDUDUQBAUIH-GOSISDBHSA-N 332.363 1.969 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)CC2=O)cc1 8236075 KCSONDBGRXLCHV-IAQYHMDHSA-N 334.372 1.274 0 40 EDAB biogenic COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CSCCC(=O)N1 75171286 UPMVORLOHCFOCQ-LBPRGKRZSA-N 337.401 1.214 0 40 EDAB COCCCNS(=O)(=O)c1ccc(NC(C)C)c(C(=O)O)c1 217599705 HITJHXQRFZYKAY-UHFFFAOYSA-N 330.406 1.520 0 40 EDAB COCCNc1ccc(C[C@H]2CCCN(Cc3nccn3C)C2)nn1 72387333 BENDMSZVUSPGEW-OAHLLOKOSA-N 344.463 1.723 0 40 EDAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)C1CN(S(C)(=O)=O)C1 70817367 YSTGMESQPIBJLJ-SNVBAGLBSA-N 326.393 1.385 0 40 EDAB O=C(Nc1cccc(OC(F)F)c1)C1CN(C(=O)c2cnccn2)C1 70809142 WMRAFOYHIRTKMD-UHFFFAOYSA-N 348.309 1.789 0 40 EDAB C[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)c1nc2cc(Cl)ccc2[nH]1 77764290 PDZMCZSWVOMCTG-MRVPVSSYSA-N 346.778 1.766 0 40 EDAB Cc1cccc(Nc2cc(C)nc([C@H]3CCCN3CC(N)=O)n2)n1 72383567 KRNUFGZPTAJNSA-CYBMUJFWSA-N 326.404 1.854 0 40 EDAB CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1 566182111 AHBWYFJYPYXSMP-OLZOCXBDSA-N 326.418 1.280 0 40 EDAB Cc1cc(C)cc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCC3)c2=O)c1 222661344 MDGXYECUKOJANY-UHFFFAOYSA-N 343.383 1.437 0 40 EDAB Cc1ccc([C@@H](C)N[C@@H]2CCCN(CCN3CCOCC3)C2=O)o1 195557267 MXTWLAGJFWIXBT-HZPDHXFCSA-N 335.448 1.562 0 40 EDAB O=C([C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2)N1CCCCC1 223366295 DGFYPKGZNHEMND-AWEZNQCLSA-N 330.384 1.919 0 40 EDAB CCOc1cccc(S(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1 225708251 NCKKEKZTYWQJBA-NSHDSACASA-N 335.447 1.139 0 40 EDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1OC 45896074 CEYXMJUDCBFXBL-CQSZACIVSA-N 345.359 1.160 0 40 EDAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1OC 222491913 MKPBSJITNRALDA-XNISGKROSA-N 347.367 1.017 0 40 EDAB CC1(C)NC(=O)N(CC[S@](=O)CCc2ccccc2Cl)C1=O 96448056 XEEMKTJMAMHEJP-QFIPXVFZSA-N 342.848 1.962 0 40 EDAB O=C(c1cc[nH]n1)N1CCC2(CC1)COCCN(c1nccs1)C2 96240034 JAXUAOVLZIGRCU-UHFFFAOYSA-N 347.444 1.625 0 40 EDAB Cc1nnc(Cn2nnc([C@@H](NC(=O)c3ccccc3)C3CC3)n2)o1 96410932 MSRCTEDZRMJYRQ-AWEZNQCLSA-N 339.359 1.294 0 40 EDAB COCCN1CCO[C@@H]2CN(C(=O)COc3ccc(C)cc3)C[C@@H]2C1 96107984 QUMZFHSMSVJTBE-FUHWJXTLSA-N 348.443 1.179 0 40 EDAB C[C@H](NC(=O)[C@H](C)CCc1cccc(F)c1)C(=O)N1CCOCC1 96430763 QZFRGYMNCNYVEK-KGLIPLIRSA-N 336.407 1.758 0 40 EDAB CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(c3ncccn3)C2)C1 96218652 NUVHRHCTQKMAIX-QFBILLFUSA-N 339.443 1.847 0 40 EDAB COc1c(C(=O)N[C@H]2CCN(C)C2=O)sc(C)c1Br 96431202 HEBHSUYORKSRRG-ZETCQYMHSA-N 347.234 1.788 0 40 EDAB CN1C(=O)C[C@H](C(=O)Nc2ccncc2)[C@@H]1c1ccc2c(c1)OCO2 95475970 DYBCSRUHJOXVRV-GUYCJALGSA-N 339.351 1.968 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@H](C(=O)Nc4cccnc4)[C@H]3C2)no1 96219458 AAXFBGOYDTUFHP-OWCLPIDISA-N 328.372 1.464 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(C[C@@H]2OCCc3ccccc32)CC1 96406590 RXMCZKYPIRRCRL-APWZRJJASA-N 345.487 1.831 0 40 EDAB C[C@@H](NC(=O)c1cnccn1)c1onc(-c2cccnc2)c1C(=O)O 96296998 IFHLPVSTAJQKEG-SECBINFHSA-N 339.311 1.716 0 40 EDAB biogenic,in-vitro Cn1ccnc1CN1CCCn2cnc(CNc3ncccn3)c2C1 96259424 KPPUOCSLJRPOJO-UHFFFAOYSA-N 338.419 1.425 0 40 EDAB c1cc2c(cc1CN1C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]31)OCO2 96185805 XGWDNMPCSWNGPP-TXPKVOOTSA-N 346.427 1.479 0 40 EDAB C[C@H](CNC(=O)C(C)(C)N(C)C1CCCC1)N1CCOC[C@H]1C 245338706 NYEIRDXYJUNHIT-HUUCEWRRSA-N 325.497 1.865 0 40 EDAB O=C(Cc1csc(-c2ccccc2)n1)N1CC2(C1)CS(=O)(=O)C2 585088365 YDXGMYDMONMCFB-UHFFFAOYSA-N 348.449 1.610 0 40 EDAB CC(C)(C(=O)NCc1cnc([C@H]2CCCCO2)nc1)n1cncn1 257341760 ZLWZZBCOXAGATI-CYBMUJFWSA-N 330.392 1.361 0 40 EDAB CN(C)c1nc([C@@H]2CCN(C(=O)C3CCOCC3)C2)cn2nccc12 257273863 NINRAJNQIUEFBH-CQSZACIVSA-N 343.431 1.538 0 40 EDAB CC(C)(C)CN1CCC[C@@H](N2CCC(c3nnc(N)o3)CC2)C1=O 585116361 RXHQNLYEUXYKBN-CYBMUJFWSA-N 335.452 1.868 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCO[C@@H](Cc2cccnc2)C1 257234175 GSLWTLJZDUTPOU-KRWDZBQOSA-N 332.425 1.855 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2ccn3nccc3n2)c1 257266159 MBVIPCDAYANMCL-CYBMUJFWSA-N 346.416 1.379 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)cn1 257303497 SHMZUNXBNXNRRX-GOSISDBHSA-N 341.415 1.284 0 40 EDAB CNc1cc(C[C@H]2COCCN(C(=O)Cc3ccccc3)C2)ncn1 257264541 LUXKEUUZNNWTDS-MRXNPFEDSA-N 340.427 1.779 0 40 EDAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(CC2CC2)C3)n1 253478579 LVJYTZGPMFZTOL-CQSZACIVSA-N 337.445 1.063 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)CCn2ccc(C)n2)C1 257208711 BNJAEFPFUUYUQX-OAHLLOKOSA-N 342.447 1.895 0 40 EDAB Cc1nccn1-c1ncc(NC(=O)CNC(=O)c2ccccc2)cn1 85470442 KOPFOJSUIDCPOZ-UHFFFAOYSA-N 336.355 1.339 0 40 EDAB CCc1ocnc1C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 268762136 PCYGPZRBSAIJOD-UHFFFAOYSA-N 336.369 1.680 0 40 EDAB O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccnc(C2CC2)n1 601663936 OVTJBEQUYOPPCN-JTQLQIEISA-N 328.294 1.247 0 40 EDAB CSc1nsc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)n1 599758369 RESQSUFKVCOVPT-SMPFOWEGSA-N 332.476 1.777 0 40 EDAB CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1 647691560 HILDVCWATIFSBB-CMPLNLGQSA-N 340.401 1.855 0 40 EDAB NC(=O)C1CCN(C2CN(C(=O)c3cc4ccccc4s3)C2)CC1 390827666 ISJGOBRNOQRNNA-UHFFFAOYSA-N 343.452 1.923 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3ccccc3)[C@H]2C1 575402466 AQBOSTMVHDQFJI-IIHMKKKESA-N 328.412 1.546 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(C(=O)Cc3ccc(F)cn3)C[C@H]2O1)NC1CC1 585109349 LJSKMDSSLMVPBF-KNXALSJPSA-N 347.390 1.048 0 40 EDAB Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1=O 585097388 KPUSAIQLZCDBEM-AWEZNQCLSA-N 342.399 1.822 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2cncn2[C@H](C(=O)NCc2cccs2)C1 585096004 KCQLBTPMLOXMQZ-DFBGVHRSSA-N 344.440 1.800 0 40 EDAB NC(=O)CN1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 43272573 RGNUSPOHMOHZDP-UHFFFAOYSA-N 347.387 1.045 0 40 EDAB Cc1nc(CNC(=O)NC[C@@H](CC(C)C)N2CCOCC2)cs1 45342362 HVORRAVCEZSNIU-OAHLLOKOSA-N 340.493 1.998 0 40 EDAB Cc1cccc2nc(C(=O)N3CCN(CC(F)(F)F)CC3)cn12 54483067 FGJFPJZGMXHQEX-UHFFFAOYSA-N 326.322 1.963 0 40 EDAB CN1CCN(Cc2ccc(S(=O)(=O)N(C)C)o2)Cc2ccccc21 69087850 JRNPKHGVDJYWOT-UHFFFAOYSA-N 349.456 1.982 0 40 EDAB Cc1cc(C)cc(NC(=O)N2CCC(NS(C)(=O)=O)CC2)c1 69390673 DGMZIMWEHCQYIG-UHFFFAOYSA-N 325.434 1.849 0 40 EDAB C[C@@H](CCc1ccc(O)cc1)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 69348423 RZDDEYTUKILVLD-GXTWGEPZSA-N 340.445 1.542 0 40 EDAB C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H]1Cn1cncn1 69814209 JHOOMUHIEMQWRH-DOTOQJQBSA-N 327.432 1.790 0 40 EDAB CCNC(=O)CCCC(=O)N1CCN(C(=O)Oc2ccccc2)CC1 69918230 FURJSEYTYMWXJS-UHFFFAOYSA-N 347.415 1.636 0 40 EDAB O=C1NC2=C(C(=O)N(CCN3CCCC3)C2)[C@@H](c2ccccc2)N1 72346474 IDQGRTWCGGYFNR-MRXNPFEDSA-N 326.400 1.233 0 40 EDAB O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)N1CCC(CO)CC1 88670366 POEASPOCFPUBEG-CYBMUJFWSA-N 339.386 1.957 0 40 EDAB O=C(NCC1(OCCO)CCCC1)C(=O)Nc1ccc(F)c(F)c1 888106872 AHDSFKQLHAUNHZ-UHFFFAOYSA-N 342.342 1.341 0 40 EDAB CCOC(=O)c1c(SC)[nH]n(C(=O)c2ccc(OC)cc2)c1=O 5796730 APYAELLJUFMELC-UHFFFAOYSA-N 336.369 1.772 0 40 EDAB C[C@H]1CN(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 12971471 VEDNAXXIVASSBR-MJBXVCDLSA-N 334.416 1.744 0 40 EDAB c1c2c(cc3c1cc(CNC[C@H]1CCCO1)c1nnnn13)OCO2 13998125 CRXJUXDWMNCIOT-GFCCVEGCSA-N 327.344 1.275 0 40 EDAB COc1ccc(CC(=O)N2CCCc3c(cnn3C)C2)cc1OC 19289640 DROBVDJXRBETJL-UHFFFAOYSA-N 329.400 1.955 0 40 EDAB CN(C)c1ncccc1CN1CCO[C@H](C(=O)Nc2ccccc2)C1 19747657 XWJRHEMARMQYGH-KRWDZBQOSA-N 340.427 1.987 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CSc2nnc(N)s2)c1 6907058 YYVYCOUYDWXMPE-UHFFFAOYSA-N 330.460 1.663 0 40 EDAB Cc1nnc2sc(SCC(=O)NC3CCCC3)nn2c1=O 11025543 DDONTBVYGDZWSL-UHFFFAOYSA-N 325.419 1.005 0 40 EDAB CN1CCCC[C@]2(CN(C(=O)CCc3ccncc3)CCO2)C1=O 2037985585 OUIQFJJEZIUUAR-SFHVURJKSA-N 331.416 1.254 0 40 EDAB CNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3908656 PTQWPKDDJWCKDX-UHFFFAOYSA-N 327.384 1.583 0 40 EDAB O=C(c1cc[nH]n1)N1CC[C@H]2OCC[C@@]2(C(=O)Nc2cccnc2)C1 2055781542 MSVHDMVUWWDEPS-RHSMWYFYSA-N 341.371 1.065 0 40 EDAB O=C(c1cccc(Cl)n1)N1CC[C@@]2(C[C@@H](n3cnnc3)CO2)C1 2055837459 DIQKFIJWUDRBMR-IAQYHMDHSA-N 333.779 1.573 0 40 EDAB CN(c1ncc(Cl)cn1)C1CCN(c2ncnc3n[nH]cc23)CC1 2086865971 DFMCNYCXMXUYSB-UHFFFAOYSA-N 344.810 1.902 0 40 EDAB COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc2c1OCO2 35326572 QSDBBWDFTGPXMH-ZDUSSCGKSA-N 341.323 1.824 0 40 EDAB COCCOc1cc(CNC(=O)[C@@H]2C(=O)NC[C@H]2C(C)(C)C)ccn1 585149581 IGWMZAQKAKJBAL-UKRRQHHQSA-N 349.431 1.131 0 40 EDAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](O)c1cccn1C 75155118 LYHAUUDMSDJKQC-AWEZNQCLSA-N 338.429 1.662 0 40 EDAB COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCN(C)CC1 20134884 FTXCVEUHSCBMJK-UHFFFAOYSA-N 338.838 1.124 0 40 EDAB COCCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cn1 31237948 NORYFYVILBSGCR-HNNXBMFYSA-N 342.351 1.827 0 40 EDAB Cn1c(COc2ccc(F)cc2Br)cc(=O)n(C)c1=O 40477939 MRIXUJVYGAKSFM-UHFFFAOYSA-N 343.152 1.565 0 40 EDAB Cn1nc(C(=O)Nc2cccnc2-n2cccn2)c2ccccc2c1=O 31951064 ARMGISDHHWJZRE-UHFFFAOYSA-N 346.350 1.767 0 40 EDAB CCCCN1CNc2c(c(=O)[nH]c(=O)n2Cc2ccc(OC)cc2)C1 20573565 QVKVHDMRFUVPMU-UHFFFAOYSA-N 344.415 1.579 0 40 EDAB Cn1c(=O)n(CC(=O)NC[C@@H]2Cc3ccccc3O2)c2ccccc21 32006009 XIGGYBNNTCKXKD-AWEZNQCLSA-N 337.379 1.460 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@@H](n2ccnc2)C1 70016738 KQIZOEGGNQZWPV-CQSZACIVSA-N 330.388 1.781 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(F)c(NC(=O)C2CC2)c1 32771686 FGXRMZPQLOLSJY-SECBINFHSA-N 336.367 1.820 0 40 EDAB COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3cccnc3)C2)c1 4904385 IHOIBHPIKDLHTL-KRWDZBQOSA-N 341.367 1.908 0 40 EDAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)N1CCNC1=O 6099257 UNVFLSPFXHKJJV-UHFFFAOYSA-N 346.199 1.680 0 40 EDAB O=S(=O)(NCCc1c[nH]cn1)c1c(F)c(F)c(F)c(F)c1F 6694498 KKJQFVYPUSXPPG-UHFFFAOYSA-N 341.261 1.626 0 40 EDAB COCCCn1c(=O)[nH]c(=O)c2c(-c3ccccc3OC)ccnc21 10157277 YNQQRZVRIOLZDU-UHFFFAOYSA-N 341.367 1.797 0 40 EDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCCO)cc2)C1 21713110 OYDUMWDGLHUOLF-STQMWFEESA-N 341.429 1.502 0 40 EDAB C[C@H](CNC(=O)N1CCNC(=O)CC1)c1nc(-c2ccccc2)no1 89910683 XPZHNZCMUVGUSJ-GFCCVEGCSA-N 343.387 1.372 0 40 EDAB C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C[C@@H](C)O1 46889318 AHEXJHKLKKKCDN-NUJGCVRESA-N 347.459 1.879 0 40 EDAB O=S(=O)(NC[C@H]1Cc2ccccc2O1)c1ccc2c(c1)CCO2 46812057 FCQPEJXRGHEVQR-CQSZACIVSA-N 331.393 1.904 0 40 EDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc(C)cc2)C1 57320407 URKFZZZARIYYJD-WBVHZDCISA-N 332.444 1.927 0 40 EDAB NC(=O)CC1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 53889925 KSLPQBRIPBPHJB-UHFFFAOYSA-N 343.387 1.178 0 40 EDAB COCC(=O)Nc1ccc(NC(=O)NCCCn2ccnc2C)cc1 47488577 VGEBUOOOKWHUQA-UHFFFAOYSA-N 345.403 1.988 0 40 EDAB Cc1nc2c(cnn2C(C)C)cc1C(=O)OCC(=O)N1CCNC1=O 9752258 PGRMNZXUFBJJLF-UHFFFAOYSA-N 345.359 1.029 0 40 EDAB CC(C)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)OCc2ccccc2)[C@@H]3C1=O 100634702 YYCUEGFWOZNMGC-OLMMMNRUSA-N 327.380 1.920 0 40 EDAB O=C([C@@H]1COC[C@H]2CN(Cc3cccs3)C[C@@H]12)N1CCCCO1 107709813 NQZBHCJXQKFXLN-FVQBIDKESA-N 336.457 1.997 0 40 EDAB COc1ccccc1COC[C@H](O)CN1C(=O)CC2(CCCC2)C1=O 24101834 LOUDJHZLPRFPMI-OAHLLOKOSA-N 347.411 1.892 0 40 EDAB Cc1nn(C)c2cn([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)nc12 57279273 QAYNUPUHTVXGEP-NSHDSACASA-N 341.371 1.684 0 40 EDAB COc1cccc(-n2nnc(S(=O)(=O)c3ccc(C)cc3)c2N)c1 1430265 NGVXHOOMDJCZHM-UHFFFAOYSA-N 344.396 1.999 0 40 EDAB CC[C@@H]1CN(Cc2nc(N)c3ccccc3n2)CCN1C[C@H](C)O 106869451 ZOFNATCENBYGEA-UONOGXRCSA-N 329.448 1.489 0 40 EDAB Cc1nccn1CCCNS(=O)(=O)N1CCC[C@H]1c1ccco1 78880010 UAZQQMUZOCLYSB-AWEZNQCLSA-N 338.433 1.846 0 40 EDAB COc1ccc(CCn2c(=O)[nH]c3cccnc3c2=O)cc1OC 26420894 IUCNTTOLPFOUAJ-UHFFFAOYSA-N 327.340 1.345 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(Cl)c1 25367598 YCBCIRDOJDFZGS-LBPRGKRZSA-N 337.850 1.504 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2csc(-c3ccco3)n2)n(C)c1=O 25470533 LTRRYKALGMTCCB-UHFFFAOYSA-N 343.368 1.199 0 40 EDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C(=O)Nc1ccccc1 56079106 TWLGADVQGJUHED-SNPRPXQTSA-N 330.384 1.958 0 40 EDAB COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)NC(C)C)=C1 20549684 ZAEYMFJWJZELGV-UHFFFAOYSA-N 337.401 1.083 0 40 EDAB Cc1c(C(=O)N[C@@H]2CCCCNC2=O)nnn1-c1cccc(Cl)c1 56404529 JIDUNYKQULTFKX-CYBMUJFWSA-N 347.806 1.628 0 40 EDAB CCOc1ccc(OCC)c(NC(=O)CN2CCCS2(=O)=O)c1 47911208 RWYIJDKAMNVSJJ-UHFFFAOYSA-N 342.417 1.458 0 40 EDAB CCn1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cn1 57280240 DSSGYHILABNRLA-UHFFFAOYSA-N 348.428 1.958 0 40 EDAB Cc1csc2nc(CN3CCO[C@@H](Cn4cccn4)C3)cc(=O)n12 69489481 HGVYSXPAEDIXNQ-CQSZACIVSA-N 345.428 1.162 0 40 EDAB Clc1ccc(CN2CCN(c3ccc4nnnn4n3)CC2)cc1 57373598 RXPXHAQBVJPHSB-UHFFFAOYSA-N 329.795 1.495 0 40 EDAB CS(=O)(=O)CCNC(=O)NCCC12CC3CC(CC(C3)C1)C2 58220039 ZVLQDROLXJYAAQ-UHFFFAOYSA-N 328.478 1.937 0 40 EDAB COc1ccc(OC)c([C@@H](O)CN2CCN(c3ncccn3)CC2)c1 44974159 DQNFJJDXDOYOOL-INIZCTEOSA-N 344.415 1.349 0 40 EDAB COc1ccccc1C(=O)NCCCNC(=O)c1cccc(O)c1 58343997 FAALHYCVBVNVBH-UHFFFAOYSA-N 328.368 1.951 0 40 EDAB C[C@H](NC(=O)Cn1cc(Br)ccc1=O)[C@@H]1CCCO1 27907945 VAUMYJZHMVTSGH-ONGXEEELSA-N 329.194 1.295 0 40 EDAB CCCCNC(=O)CN1CCN(C(=O)c2ccc(Cl)nc2)CC1 28008237 QHIONERKSQOMSE-UHFFFAOYSA-N 338.839 1.409 0 40 EDAB O=c1cc(COn2nnc3ccc(Cl)cc32)nc2sccn12 3371991 RUZKOZUPZYEKDT-UHFFFAOYSA-N 333.760 1.783 0 40 EDAB COc1ccc(C)cc1NC(=O)CNC(=O)CSc1ncccn1 10861831 OGIBMAMPLHUBKQ-UHFFFAOYSA-N 346.412 1.641 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)Cc1ccc(OC(F)(F)F)cc1 48221435 MZHLVKBYSBNZST-GFCCVEGCSA-N 346.349 1.965 0 40 EDAB O=c1cc(CN(CCc2ccco2)Cc2ccccc2)[nH]c(=O)[nH]1 48300723 QGLZCDCILCHDBS-UHFFFAOYSA-N 325.368 1.901 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC(=O)[C@H]1CCc2ccccc2C1 408498196 KUMGTELGVQUUBO-AWEZNQCLSA-N 334.397 1.901 0 40 EDAB NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 3572776 HWGHYQPMVBGRPZ-UHFFFAOYSA-N 341.367 1.855 0 40 EDAB CS(=O)(=O)c1ccc(O)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 64864643 PLGDJFUIASMHQM-WAYYCVMKSA-N 333.365 1.107 0 40 EDAB COCCCN(C(=O)CCc1cccs1)[C@H]1CCS(=O)(=O)C1 69527504 ZHCSVUYFLHYHLO-ZDUSSCGKSA-N 345.486 1.733 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)/C=C/c2ccccc2)CC1 69560576 JLYCMQGLRPUTAH-IJDCCNJMSA-N 327.428 1.641 0 40 EDAB O=C1C[C@]2(CCSC2)C(=O)N1C[C@@H](O)COCc1ccccc1 63901488 BSWZSUQSTPPKNB-PBHICJAKSA-N 335.425 1.446 0 40 EDAB CCn1c(=O)c2c(nc3n2CCN3c2ccccc2OC)n(C)c1=O 13539752 FUGCZSBLPDVIBD-UHFFFAOYSA-N 341.371 1.077 0 40 EDAB O[C@@H](COCc1cccs1)CN1CCC[C@H](Cn2cncn2)C1 69842535 IEJIQRJQONYNFE-LSDHHAIUSA-N 336.461 1.629 0 40 EDAB O=C(COC1CCCC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69969203 GWKMACMXCSLKAT-GOSISDBHSA-N 332.444 1.823 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)NCCc1ccn(-c2ccccc2)n1 65552688 USTNLRRPDLMCSA-AWEZNQCLSA-N 343.431 1.629 0 40 EDAB NS(=O)(=O)c1ccc(OCCN2CCOc3ccccc3C2)cc1 65609616 DEOHJGQWVIFQAR-UHFFFAOYSA-N 348.424 1.607 0 40 EDAB Cc1ccccc1NC(=O)C[C@H]1SC(N2CCOCC2)=NC1=O 6581373 WUFMRMANTDLKRR-CYBMUJFWSA-N 333.413 1.654 0 40 EDAB COC(=O)c1c(NC(=O)C(=O)N2CCCC2)sc2c1CCCC2 6662133 QQQNMYSDPVZPQT-UHFFFAOYSA-N 336.413 1.974 0 40 EDAB CC1CCN(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1 5871554 YRMAPUTXGRFVNW-UHFFFAOYSA-N 343.383 1.236 0 40 EDAB O=C(NC1CCC(O)CC1)N1CCN(C(=O)C2CCCCC2)CC1 66982924 JUTVNGPHCSIQJJ-UHFFFAOYSA-N 337.464 1.724 0 40 EDAB CC(C)c1ccc(O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 15394774 MUEALQBWGUXNOP-TZMCWYRMSA-N 325.430 1.881 0 40 EDAB Cn1cc(C(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)ccc1=O 96004810 AZCRCYIZYBVINB-UHFFFAOYSA-N 327.319 1.486 0 40 EDAB O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cc(=O)c(O)co1 67641649 VDPVNFPVXSZGBN-CQSZACIVSA-N 328.368 1.597 0 40 EDAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 16088719 RDMKFMMOISPRIR-UHFFFAOYSA-N 330.381 1.725 0 40 EDAB O=C(NC1CC1)c1cccc(NC(=O)c2nccnc2C(=O)O)c1 71286350 IJDACCHGAWXMLX-UHFFFAOYSA-N 326.312 1.319 0 40 EDAB NC(=O)Nc1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1 16654223 KXVDNQCHLUNNCG-UHFFFAOYSA-N 338.323 1.771 0 40 EDAB Cc1cc(C)cc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 70009317 GHDUIWPWHIYQKP-UHFFFAOYSA-N 343.471 1.978 0 40 EDAB CC[C@@H](C)c1ccccc1OCC(=O)NC1CCN(CC(N)=O)CC1 71796186 ZNPZTRVCJJJLQL-CQSZACIVSA-N 347.459 1.645 0 40 EDAB CC(C)(C)NC(=O)[C@@H]1CCCCN1CC(=O)NCc1ccccn1 71897264 UPGYHEMFIRWEEL-HNNXBMFYSA-N 332.448 1.467 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)CC(=O)Nc3cccnc3)C2)no1 71870556 MYSFPEBIOCIUQP-OAHLLOKOSA-N 344.419 1.308 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccnc3)CCO2)n1 83829775 SLALVYYVMVRINB-RDBSUJKOSA-N 327.388 1.466 0 40 EDAB Cc1c(CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)cnn1C 97096235 LZBYVSDKOBEHIS-UHFFFAOYSA-N 325.376 1.846 0 40 EDAB CNC(=O)c1cccc(CNc2cc(N3CCC[C@@H]3CO)ncn2)c1 72276083 BKZGEQVTYHUCRA-OAHLLOKOSA-N 341.415 1.409 0 40 EDAB O=C(COc1cc(F)ccc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269651 MSRUWXGXFJRYGN-GJZGRUSLSA-N 340.370 1.401 0 40 EDAB Cc1nccc(N2CCN(C(=O)Nc3cnn(CC(C)C)c3)CC2)n1 97135465 KMYAUTZRSZXQQH-UHFFFAOYSA-N 343.435 1.992 0 40 EDAB CCOc1ncnc2c1CN([C@H](C)C(=O)Nc1cc(C)no1)CC2 97202216 QXUFRAWLRWLHFW-LLVKDONJSA-N 331.376 1.557 0 40 EDAB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccccc1OC 84736386 CKBQWARXNMZNGH-HIFRSBDPSA-N 326.462 1.845 0 40 EDAB COc1nc(C)ccc1C(=O)OCCCc1nc2ncccn2n1 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343.335 1.824 0 40 EDAB biogenic C[C@@H](Cn1cccn1)NC(=O)CN1C(=O)CSc2ccccc21 31394843 UAVQVHBGEHZATO-LBPRGKRZSA-N 330.413 1.527 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccncc2)[C@H]1c1ccccc1 72237986 ULQDRQLZURQIHO-IAGOWNOFSA-N 325.368 1.296 0 40 EDAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1nc(-c2ccccn2)no1 49407689 ZFSPKUGBOIAWJA-UHFFFAOYSA-N 347.334 1.493 0 40 EDAB O=C(NCc1cc[nH]n1)C(=O)N1CCc2ccc(Br)cc21 79028979 PMHZQJZINKWCKK-UHFFFAOYSA-N 349.188 1.378 0 40 EDAB CCN1CCN(C(=O)[C@@]2(C)CC(c3ccccc3OC)=NO2)CC1 222284792 KJYCCMPWUADNGD-GOSISDBHSA-N 331.416 1.742 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1cc2ccccn2c1 225797800 GBMLGGQZTCLVMB-UHFFFAOYSA-N 333.351 1.474 0 40 EDAB COC(=O)[C@]1(C)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 222437339 QBGQCINBSKQEPH-DSZLRUIBSA-N 336.775 1.147 0 40 EDAB CC(C)n1cc(S(=O)(=O)NCCc2nnc3ccccn23)cn1 81063744 BGPIVBSHWWZEOQ-UHFFFAOYSA-N 334.405 1.028 0 40 EDAB COc1ccc(CNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1 223314294 PBIJFPQAXXZVTR-UHFFFAOYSA-N 348.380 1.917 0 40 EDAB O=C(Cc1c(F)cccc1Cl)N1CC[C@H](N2C(=O)COC2=O)C1 225701692 CQRPQIIYDPGPEL-VIFPVBQESA-N 340.738 1.601 0 40 EDAB CNC(=O)Cc1csc(NC(=O)Cn2cnc3ccccc32)n1 44442789 HZISJUJFIKSZOF-UHFFFAOYSA-N 329.385 1.420 0 40 EDAB Cc1cc(N[C@@H]2CCN(CC(F)(F)F)C2=O)ccc1-n1cnnn1 81151987 JYOXUCMTULCYGT-LLVKDONJSA-N 340.309 1.546 0 40 EDAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3ccncc3)ccc21 225673518 OCCLVZVSTGRVBH-UHFFFAOYSA-N 335.410 1.474 0 40 EDAB O=C(Nc1cccc(CCN2CCCC2)c1)C(=O)Nc1ccon1 190332042 CXCFYZJOVVRZQJ-UHFFFAOYSA-N 328.372 1.890 0 40 EDAB O=C(c1ccoc1)N1CCC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96048367 GMFHRPKMJHWSNX-YOEHRIQHSA-N 328.372 1.945 0 40 EDAB COc1ncccc1CN1C[C@@H]2C[C@@H](C(=O)NCC3CC3)N(C)[C@@H]2C1 96182606 ZRJMJTKQZTUEPG-YESZJQIVSA-N 344.459 1.121 0 40 EDAB Cc1ccc(N[C@H]2CO[C@]3(CCCN(c4ncccn4)C3)C2)nn1 96048470 CAQDZPSRULXOFQ-RHSMWYFYSA-N 326.404 1.815 0 40 EDAB O=C1[C@H]2CN(c3ncc(F)cn3)C[C@H]2CN1Cc1cccc(F)c1 96080746 JEGQHQPXTIBGEB-DOMZBBRYSA-N 330.338 1.850 0 40 EDAB COc1ccc(CC(=O)N[C@H]2CCc3nc(C)cn3C2)cc1OC 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349.475 1.594 0 40 EDAB CS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccc(N)cc1 96519719 SEIPMYPCLVQEOM-RKDXNWHRSA-N 328.615 1.634 0 40 EDAB CCc1nc2nnc3c(=O)n(-c4cccc(C(C)=O)c4)ccc3n2n1 95115667 OJXWDCMAJNBCRP-UHFFFAOYSA-N 334.339 1.588 0 40 EDAB CC(=O)N1CCN(Cc2ccc(C)s2)C[C@]2(CC(=O)N(C)C2)C1 96036039 DIALJSPRALHFTB-QGZVFWFLSA-N 335.473 1.569 0 40 EDAB CC(C)CCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O 243681898 PHGGUBKRCWBUGI-UHFFFAOYSA-N 326.462 1.653 0 40 EDAB O=C(c1cnc2n1CCN(Cc1ccsc1)C2)N1CCOCC1 247890015 YIUUXAOBBRQGMK-UHFFFAOYSA-N 332.429 1.433 0 40 EDAB Nc1nccnc1C[C@@H]1CCCN(C(=O)CC2(O)CCCCC2)C1 257319391 VSFSXXMVMFUCHA-AWEZNQCLSA-N 332.448 1.925 0 40 EDAB CCCn1cc(-c2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)cn1 257216524 CUWVJFLHEPHZIA-CYBMUJFWSA-N 349.460 1.889 0 40 EDAB Cc1cc(C[C@@H]2COCCN(C(=O)c3n[nH]c4c3CCC4)C2)ncn1 257247462 IZCVXODYNVMDSR-ZDUSSCGKSA-N 341.415 1.328 0 40 EDAB COCc1c(C(=O)N2CCC[C@H](Cc3nccnc3N)C2)noc1C 257235919 HABXSOCLKZLEKL-GFCCVEGCSA-N 345.403 1.597 0 40 EDAB 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CC(=O)Nc1ccc(C(=O)N2CCN(c3cccnc3)C(=O)C2)cc1 585150098 CDITWDNFYUIUQD-UHFFFAOYSA-N 338.367 1.529 0 40 EDAB CCN1CCN(C(=O)NCc2ccc(-c3ccsc3)o2)C(=O)C1=O 618255247 AFBUXRBQWCSFAJ-UHFFFAOYSA-N 347.396 1.908 0 40 EDAB O=C(NCc1ccccc1)C(=O)NC[C@]1(O)CCc2ccccc2C1 85560421 WESNZVCNSSPSCA-FQEVSTJZSA-N 338.407 1.339 0 40 EDAB CN(CCCOc1ccc(F)cc1)CCN1C(=O)NC(C)(C)C1=O 30269251 DVDPFUDMSMUKIW-UHFFFAOYSA-N 337.395 1.857 0 40 EDAB CCC[C@](C)(NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)OC 30334438 HYCOFYISSNCEKR-AWEZNQCLSA-N 333.381 1.844 0 40 EDAB C[C@]1(NC(=O)c2cnn(Cc3ccccc3)c2)CCS(=O)(=O)C1 40466541 CITXGOHKVAWFAP-INIZCTEOSA-N 333.413 1.238 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)CCN1C(=O)CSc2ccccc21 40522635 FAUZUNGHHBGRKL-ZDUSSCGKSA-N 344.440 1.917 0 40 EDAB C[C@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)[C@@H]1CCCO1 40509176 FLHKEVZCFKRJRH-JSGCOSHPSA-N 344.419 1.024 0 40 EDAB CCN1CCN(Cc2ccc(CNC(=O)c3cnccn3)cc2)CC1 40538574 RTOZTJDULZHBNB-UHFFFAOYSA-N 339.443 1.544 0 40 EDAB COCCNC(=O)c1cn(-c2ccccc2Br)nn1 40505711 LWCSNAUFWPRJJE-UHFFFAOYSA-N 325.166 1.406 0 40 EDAB O=C1COc2ccccc2N1CC(=O)N1CCO[C@H]2CCCC[C@H]21 40553822 VHLLHYJSXYHDHK-HIFRSBDPSA-N 330.384 1.582 0 40 EDAB O=C(CNC(=O)c1ccn(-c2cccc(F)c2)n1)Nc1cn[nH]c1 51412658 JCZXPDSDNCNZEF-UHFFFAOYSA-N 328.307 1.103 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NC1CCN(Cc2ccccn2)CC1 45756289 DVFYBCOZQAQGRB-UHFFFAOYSA-N 342.447 1.621 0 40 EDAB CCN1C(=S)N[C@H]2c3cccc(OC)c3O[C@@]1(C)[C@@H]2C(=O)OC 101369026 DIEMYJGTBZSYDH-MKBNYLNASA-N 336.413 1.844 0 40 EDAB Cc1noc(C)c1CSCC(=O)N1CCN(c2ncccn2)CC1 21248625 MUTPLXIFJBRIBX-UHFFFAOYSA-N 347.444 1.663 0 40 EDAB Cc1ccc(N2N=C(C(=O)N(C)Cc3ccsc3)NCC2=O)cc1 32712529 CGLFIAJZWSFGJF-UHFFFAOYSA-N 342.424 1.965 0 40 EDAB Cn1cc(S(=O)(=O)Nc2cc(C(=O)O)cc(C(F)(F)F)c2)cn1 52471648 NMOPEZZMSARYGT-UHFFFAOYSA-N 349.290 1.938 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1OCC 8049884 CPLGSSCHLAWMJN-LBPRGKRZSA-N 329.418 1.941 0 40 EDAB CC(C)NC(=O)[C@H]1CN(Cc2ccc3c(c2)CCO3)[C@@H]2CCO[C@H]12 108525187 UFNAGTANFKTKEY-LZLYRXPVSA-N 330.428 1.735 0 40 EDAB CC(C)C(=O)OCC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 8882244 NUUOKHDKKBOKGE-NSHDSACASA-N 339.413 1.779 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@@H](C)C(=O)N(C)C 69776060 UKIMGMPAUCBUFC-NSHDSACASA-N 326.418 1.075 0 40 EDAB COc1ccccc1N1CCN(CC(=O)NC[C@H]2CCCO2)CC1 57711759 LZCIARZHVVZNSI-OAHLLOKOSA-N 333.432 1.112 0 40 EDAB CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c1=O 102777498 GCLAWFJFRHQQQN-NSHDSACASA-N 333.413 1.614 0 40 EDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccccc2F)C1 57318952 UBRKQXUIEDDVTG-HIFRSBDPSA-N 336.407 1.758 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCCc1ccccc1 52802916 SGNRPRQCFSVNBF-DOTOQJQBSA-N 331.460 1.663 0 40 EDAB O=C(Cn1ccc2ccc(Cl)cc21)NC[C@@H]1CCS(=O)(=O)C1 53009504 GADNYZTVFYRCIJ-NSHDSACASA-N 340.832 1.846 0 40 EDAB COc1ccc2c(C)c(CCC(=O)NCC(=O)O)c(=O)oc2c1OC 12296821 OLGKWVIQEZJYGO-UHFFFAOYSA-N 349.339 1.252 0 40 EDAB biogenic O=C(c1ccccc1)N1CCN(C[C@H](O)COc2ccccc2)CC1 22611751 QISMLKNMDLKKCQ-SFHVURJKSA-N 340.423 1.884 0 40 EDAB CCc1nc(COC(=O)C2CCN(S(C)(=O)=O)CC2)cs1 22989326 RUHIQEFBNKDMIZ-UHFFFAOYSA-N 332.447 1.420 0 40 EDAB COC(=O)C[C@@H]1CCCCN1CC(=O)NC(=O)NCc1ccco1 54394387 KHHMEJHDXAHJFO-LBPRGKRZSA-N 337.376 1.023 0 40 EDAB Cn1ncc2c(=O)n(/N=C/c3c(F)cccc3N3CCCC3)cnc21 42677460 JBJKLJDILOSCDM-ZVBGSRNCSA-N 340.362 1.752 0 40 EDAB C[C@H](OCCCNC(=O)CN1CCN(C)C[C@H]1C)c1ccccc1 89939006 FMGHLEHTRSFCRD-SJORKVTESA-N 333.476 1.906 0 40 EDAB CCOc1c(Cl)cc(CNC(=O)[C@H]2CNC(=O)N2)cc1OC 89988742 WYNWALKWBBGKOT-SNVBAGLBSA-N 327.768 1.045 0 40 EDAB Cn1cc(CCNC(=O)NC[C@H](c2ccco2)N2CCCC2)cn1 43167106 DJNHHWICLAKSQY-OAHLLOKOSA-N 331.420 1.692 0 40 EDAB Cc1nc2cc([C@@H]3CCCN(C(=O)[C@@H]4CCCO4)C3)nn2c(O)c1C 100137627 GIONLQRCWMTMPB-HIFRSBDPSA-N 344.415 1.937 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420009 XEZKCNMSNGAXPL-PFHKOEEOSA-N 334.347 1.023 0 40 EDAB COCCn1nc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)ccc1=O 55734313 SQGSUONQLSOJFQ-CQSZACIVSA-N 347.802 1.960 0 40 EDAB C[C@@H]1CN(Cn2nc3n(C)c(=O)c4ccccc4n3c2=S)CCO1 12534729 PTKQUQXDTKVXFX-LLVKDONJSA-N 345.428 1.395 0 40 EDAB C[C@H](O)CNc1c(N2CCN(c3cccc(Cl)c3)CC2)c(=O)c1=O 102341134 KJRHPKAPBLSLEF-NSHDSACASA-N 349.818 1.055 0 40 EDAB Cc1cc(C)n(C2CN(C[C@@H](O)CN3CCc4ccccc4C3)C2)n1 75606092 LXLOQLFKAZWXTK-FQEVSTJZSA-N 340.471 1.776 0 40 EDAB C[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1N1CCOCC1 76054836 XWYNTOFVTPJZBQ-VXGBXAGGSA-N 346.353 1.081 0 40 EDAB COc1ccccc1-n1c(O)nc2nc(-n3ccnc3)ncc2c1=O 57352004 SVXDFGTTXCMCJT-UHFFFAOYSA-N 336.311 1.076 0 40 EDAB COc1ccc(CNC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)cc1 105001926 CPDJOCLHPCIXRF-GASCZTMLSA-N 329.404 1.805 0 40 EDAB O=S(=O)(CCN1CCC[C@@H](O)C1)c1ccc(Br)cc1 47864820 JHCOLXLVDVLUJJ-GFCCVEGCSA-N 348.262 1.680 0 40 EDAB in-vitro C[C@@H]1c2cccn2CCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 58250953 ODDUNSSFRDSNHI-NEPJUHHUSA-N 328.459 1.312 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)NCc1ccc(-n2cncn2)nc1 44941678 ATBLMRNETFIBCH-SECBINFHSA-N 329.282 1.246 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)NCCN1CCOCC1)CO2 44949358 CMUDVODKZUHFFT-UHFFFAOYSA-N 332.400 1.310 0 40 EDAB CC(C)COc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cn1 45057604 QQYKFYFEGCHIHH-UHFFFAOYSA-N 341.415 1.869 0 40 EDAB CC(=O)N1CCN(CC(=O)c2cc(C)n(-c3nccs3)c2C)CC1 36390078 ZNARNKIJEHTYIY-UHFFFAOYSA-N 346.456 1.897 0 40 EDAB Cc1cc(C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)on1 10983525 KAFZAIZPQAPTDR-UHFFFAOYSA-N 343.339 1.671 0 40 EDAB C[C@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)c(F)c1 11010555 XHBWSDKYWCSCOP-DTWKUNHWSA-N 347.339 1.270 0 40 EDAB Cc1cccnc1NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 45537760 WSTVOSSXCLALLO-HUUCEWRRSA-N 334.420 1.249 0 40 EDAB O=C(Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)Nc1ccccc1 12757253 DKZNJZOIPQEXGN-CQSZACIVSA-N 333.319 1.097 0 40 EDAB Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)o1 48238014 NQGYCGQPLANNRH-JTQLQIEISA-N 326.374 1.922 0 40 EDAB COc1ccc([C@H](O)CNC(=O)c2ccnc(-n3ccnc3)c2)cc1 48321888 UUOFXGNWBOCYSM-MRXNPFEDSA-N 338.367 1.739 0 40 EDAB CN1CCN(C(=O)CS(=O)(=O)C2CCCC2)c2ccccc2C1 69509875 XREBJSZJUHDORM-UHFFFAOYSA-N 336.457 1.822 0 40 EDAB COc1ccccc1CNC(=O)COC(=O)c1ccc2c(c1)OCO2 3620734 YKBOAAZVSXEMHD-UHFFFAOYSA-N 343.335 1.897 0 40 EDAB O=S(=O)(NCc1ccc(Cn2cncn2)cc1)N1CCCCCC1 13009452 MFLUHXPAMGXSJS-UHFFFAOYSA-N 349.460 1.537 0 40 EDAB C[C@H](NC(=O)CN1CCC[C@H](Cn2cncn2)C1)c1cccs1 69697283 JADSGTPDRWKCOJ-KBPBESRZSA-N 333.461 1.929 0 40 EDAB CC(C)(CNC(=O)Cn1cnnn1)c1cccc(C(F)(F)F)c1 69848386 ANXRUHJEJKEQGY-UHFFFAOYSA-N 327.310 1.786 0 40 EDAB Cc1ccc(NCCNC(=O)c2ccc(N3CCOC3=O)cc2)nn1 69807688 FCDQEPBWBIXRTF-UHFFFAOYSA-N 341.371 1.584 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O 4163561 OUJACPHZCVVYRK-LBPRGKRZSA-N 332.356 1.607 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 20493101 XDHIGZBGWMVMNJ-LLVKDONJSA-N 326.418 1.899 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 69919080 USOLBXMCPHRYJW-LBPRGKRZSA-N 345.896 1.358 0 40 EDAB CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(C(=O)NC)nc2)C1 69918594 IRDNANQGIJYSSW-CQSZACIVSA-N 341.415 1.677 0 40 EDAB CCc1ncc2c(n1)CN(CC(=O)NCc1cc(F)cc(F)c1)CC2 69950446 XZIXWZPUZFPCIJ-UHFFFAOYSA-N 346.381 1.992 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N(Cc1ccsc1)C1CC1)CC2 69976463 YHHGRUUHWQSTGY-CQSZACIVSA-N 345.472 1.744 0 40 EDAB O=C(NCCCn1cncn1)c1cccc(OC[C@@H]2CCCO2)c1 65393090 YTBJYLDHPFSVLR-INIZCTEOSA-N 330.388 1.656 0 40 EDAB Cc1cc(C)nc(NNS(=O)(=O)c2cc(C(=O)O)cs2)n1 8733761 MADCODUKMANTFI-UHFFFAOYSA-N 328.375 1.159 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C2=CC(=O)N(c3ccccc3)C2=O)C1 5428624 CDHBOPZYHSSUHG-CYBMUJFWSA-N 328.368 1.719 0 40 EDAB COC(=O)CN(CC(=O)OC)C(=O)c1oc2ccc(F)cc2c1C 66235799 VMEJMHVFZUZCKV-UHFFFAOYSA-N 337.303 1.669 0 40 EDAB CCCn1nnnc1CN1CCC(NC(=O)CC2CCCC2)CC1 66876335 GDYRAUNCKJZMHQ-UHFFFAOYSA-N 334.468 1.744 0 40 EDAB O=C(O)CCCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)CC(=O)N2 4935299 QPJQOEGWPAMQEE-NSHDSACASA-N 343.343 1.403 0 40 EDAB C[C@H](OC(=O)Cn1cnnn1)C(=O)Nc1ccc(Cl)cc1Cl 7036321 CLRZXQSNWWLXAY-ZETCQYMHSA-N 344.158 1.550 0 40 EDAB O=C(O)c1nccnc1C(=O)Nc1cccc(N2CCCC2=O)c1 71282621 QGKGQRXERYOWDX-UHFFFAOYSA-N 326.312 1.554 0 40 EDAB CS(=O)(=O)CCN1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1 68507083 FJSUFLVMJNFERJ-UHFFFAOYSA-N 349.456 1.407 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)c2ccc3nsnc3c2)cc1 8072015 VAZIUWONDOAISM-UHFFFAOYSA-N 334.382 1.591 0 40 EDAB CCNC(=O)NC(=O)[C@H](Sc1nnnn1C1CC1)c1ccccc1 8075959 NWQAULVDLHQZGR-GFCCVEGCSA-N 346.416 1.687 0 40 EDAB Cc1cc([C@@H]2CCCN(C(=O)CCS(=O)(=O)CC(C)C)C2)n[nH]1 84110453 FSXIMGWZLBKCIW-CQSZACIVSA-N 341.477 1.885 0 40 EDAB CO[C@@](C)(C(=O)NCC(=O)NCc1ccccc1)c1ccccc1 71882654 DXKBOVXWRMSJOS-LJQANCHMSA-N 326.396 1.981 0 40 EDAB COCCc1noc(CN(C)C[C@@H]2CCCN2c2cccnn2)n1 71860090 KRFWONYPYHTWND-ZDUSSCGKSA-N 332.408 1.149 0 40 EDAB O=C1NC(=O)[C@@H](CC(=O)N2CCC(Cc3cccc(F)c3)CC2)N1 71821251 VOBDZRCPCGCJBJ-CQSZACIVSA-N 333.363 1.205 0 40 EDAB CCc1nc([C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)CCO2)n[nH]1 83829722 KTWABIFAAPGXRS-KBPBESRZSA-N 335.452 1.532 0 40 EDAB CCCCN(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)COc1ccccc1 71921246 ZBRVWHXSBHQPMM-GDBMZVCRSA-N 334.416 1.286 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@H]2C(=O)NCc2ccco2)n(C)n1 71904910 KEROMBNIGXNEDI-AWEZNQCLSA-N 345.403 1.041 0 40 EDAB O=C(CC1=CCCCC1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 72270438 IQKMXMVCWHHIIC-UHFFFAOYSA-N 347.400 1.358 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCCCN1Cc1ccncc1 72270384 JHRGWINGGWQRRO-IAGOWNOFSA-N 339.443 1.764 0 40 EDAB CNC(=O)c1cncc(/C=C/C(=O)OCCOc2cccnc2)c1 72289678 IBBQQRBJPDEXBC-SNAWJCMRSA-N 327.340 1.472 0 40 EDAB Cc1cn2nc(N[C@@H]3CCCN(Cc4noc(C)n4)C3)sc2n1 72276351 SKJFJIIFVOEPBP-LLVKDONJSA-N 333.421 1.867 0 40 EDAB C[C@@H](NCC(=O)N1CCOCC1)c1nc(Cc2ccccc2)no1 97112466 JAZYIVVMOFFTHP-CYBMUJFWSA-N 330.388 1.170 0 40 EDAB Cc1ccn(C)c(=O)c1NC(=O)N1CCN(Cc2ccccn2)CC1 97143641 ONACRUMQIKBMOS-UHFFFAOYSA-N 341.415 1.438 0 40 EDAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCN(CC(F)(F)F)CC1 84338770 LYCSAJMLWKYLNJ-UHFFFAOYSA-N 329.322 1.184 0 40 EDAB CC(=O)N1CCN(C(=O)C2CCN(c3nc(C)cc(C)n3)CC2)CC1 79476764 LFTNQLXAOQUNBG-UHFFFAOYSA-N 345.447 1.001 0 40 EDAB Cc1cccc(C(=O)NCCNC(=O)c2cccc(-n3cncn3)c2)c1 95397575 AIXCYGXSIKBBKL-UHFFFAOYSA-N 349.394 1.736 0 40 EDAB COC(=O)[C@@]1(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)CCSC1 95444103 KDZDHYSTNFATMD-RHSMWYFYSA-N 335.425 1.772 0 40 EDAB Cc1ocnc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 95445948 SLJNYVSJVRFKNN-HZPDHXFCSA-N 329.400 1.596 0 40 EDAB O=C(NS(=O)(=O)c1ccc2c(c1)CCO2)c1cc2n(n1)CCCC2 408500578 WXALXXGFLRWQCU-UHFFFAOYSA-N 347.396 1.273 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1C 98013631 WALWRVKYZXQIBH-HNNXBMFYSA-N 348.472 1.984 0 40 EDAB CCc1nnc([S@](=O)CC(=O)NCCc2c(F)cccc2F)[nH]1 95966748 FGTQSVRBZDXOBF-QHCPKHFHSA-N 342.371 1.112 0 40 EDAB CC(C)n1cnc(S(=O)(=O)Nc2ccnn2Cc2cccnc2)c1 95973666 DWHQGVBNAPAWMY-UHFFFAOYSA-N 346.416 1.905 0 40 EDAB COC(=O)CN1CCC(NC[C@@H](c2cccc(F)c2)N(C)C)CC1 95986429 BCHHYYZQGDEPDX-KRWDZBQOSA-N 337.439 1.655 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)no1 74792545 LABVLDYFYFLYKO-UHFFFAOYSA-N 327.384 1.819 0 40 EDAB COc1ccccc1NC(=O)Nc1cnn(C[C@@H](O)CN(C)OC)c1 75143680 DZDCKMIAEZANCA-ZDUSSCGKSA-N 349.391 1.390 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)c(=O)[nH]1 75124438 FIJRITVIWGVLEF-HLLBOEOZSA-N 349.475 1.742 0 40 EDAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)nnn3C)C1 409196671 RAXHCCZRDHUOAV-AWEZNQCLSA-N 343.431 1.689 0 40 EDAB O=C(NCCCO)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 110714488 NRPMKRZHVSAJJP-OKZBNKHCSA-N 331.460 1.969 0 40 EDAB CC(=O)N1CCOC[C@]2(CC[C@H](CNCCc3ccccc3)O2)C1 306130334 JCVWEDKFXRPDFH-MOPGFXCFSA-N 332.444 1.615 0 40 EDAB COCCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 38753323 ALQOBWNGBSWTQX-UHFFFAOYSA-N 340.445 1.379 0 40 EDAB Cc1nc([C@H]2CCN2C(=O)c2cccnc2)cc(N2CCOCC2)n1 72387534 AHKYUDRDBRFYPQ-MRXNPFEDSA-N 339.399 1.604 0 40 EDAB CC(C)CCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 30756261 KMFUZAJBZDOUNB-AWEZNQCLSA-N 326.418 1.376 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)c1ccccc1 77264321 MOZDFHCKPLCKEJ-KURKYZTESA-N 344.386 1.474 0 40 EDAB biogenic,in-vitro CN1CCN(c2ncc(-c3cnccn3)c([C@@H]3CCCO3)n2)CC1 72324899 URAFCTCILLUWAD-HNNXBMFYSA-N 326.404 1.537 0 40 EDAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cscn2)CC3)C1 72368625 LDKYONWRRFTEPD-GFCCVEGCSA-N 346.460 1.242 0 40 EDAB CN(C)S(=O)(=O)N(C)CCOC(=O)c1cc2ccccc2s1 78715103 WGAYOCTUBSDULL-UHFFFAOYSA-N 342.442 1.796 0 40 EDAB COc1ccccc1OCC(=O)Nc1cc(N2CCOCC2)ncn1 75166247 PSNSNWRPBHEVBS-UHFFFAOYSA-N 344.371 1.339 0 40 EDAB CCOC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326488 DEBKXGYHLZMXJL-KPZWWZAWSA-N 345.399 1.502 0 40 EDAB CCOCCN1CCN(c2ncc(Br)c(NC)n2)CC1 132431066 RPDDIVSJQZGTID-UHFFFAOYSA-N 344.257 1.439 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccnc1 225429890 BGZBQIYAQCIGEZ-UHFFFAOYSA-N 331.397 1.535 0 40 EDAB Cc1nn(C)c2cn([C@H](C)C(=O)NCCn3cc(Cl)cn3)nc12 40715006 VWTOHKBUYXXLPH-SNVBAGLBSA-N 335.799 1.306 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c(F)cc1F 84674131 GHJKUMHBHLERJO-NEPJUHHUSA-N 346.399 1.415 0 40 EDAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C)c1 223288778 LATCFVIRTYSLTD-JKSUJKDBSA-N 329.473 1.954 0 40 EDAB Cn1cncc1C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 571602738 KZVUGUFMCLGZKK-ZDUSSCGKSA-N 340.362 1.563 0 40 EDAB Cc1ccc([C@@](C)(O)CNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)o1 81834387 BKFJHORMQYAEJJ-SFHVURJKSA-N 347.415 1.915 0 40 EDAB Cn1nc(CC(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)c2ccccc21 333709704 IEBWJXMPSLMMFR-RHSMWYFYSA-N 341.411 1.712 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@H](CC(C)C)C(=O)O 583650584 MRGRORMNOFDBMM-HOCLYGCPSA-N 332.400 1.827 0 40 EDAB CN(C)CCN1CC[C@]2(CCCN(C(=O)c3cccn3C)C2)C1=O 96073954 DRZLPELBPRABQT-SFHVURJKSA-N 332.448 1.041 0 40 EDAB COc1ccc(CN2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)cc1 96202627 RDCNVOVZGGQQPT-UHFFFAOYSA-N 336.457 1.695 0 40 EDAB Cn1cnc2c1[C@@H](COCC1CCOCC1)CN(C1CCOCC1)C2 96045003 HJFNKYMNASTXAE-MRXNPFEDSA-N 349.475 1.942 0 40 EDAB O=C(Cn1cnnn1)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 96408307 XKAXLZNSCSWHTQ-DEOSSOPVSA-N 347.444 1.893 0 40 EDAB CN(C)C(=O)N1CCN(Cc2ccsc2)C[C@@]2(CNC(=O)C2)C1 96035966 BIBKEQFHXIBDLV-MRXNPFEDSA-N 336.461 1.054 0 40 EDAB O=C1CCCN1C[C@H]1CN(C(=O)NC2CCCC2)Cc2nccn2C1 96188482 FGDICXLDUIJAOK-AWEZNQCLSA-N 345.447 1.590 0 40 EDAB COc1ncnc2c1CN(C[C@@H](O)COc1ccc(F)cc1)CC2 97202048 CLYZVFZWASKXQK-CYBMUJFWSA-N 333.363 1.422 0 40 EDAB Cc1nc(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)no1 292622809 DNQVHUOYNULHQE-UHFFFAOYSA-N 340.391 1.175 0 40 EDAB Cn1ccnc1CN1CC[C@]2(COCCN(C(=O)c3ccoc3)C2)C1 96202082 KSWGWQWCLUOAQK-SFHVURJKSA-N 344.415 1.378 0 40 EDAB CN1C(=O)C[C@H](C(=O)Nc2ccccn2)[C@@H]1c1ccc2c(c1)OCO2 95472965 IJNZFWHLMKNDSQ-SJCJKPOMSA-N 339.351 1.968 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c(C)c1F 96501582 FGAAZOGYLWDPLI-GFCCVEGCSA-N 342.436 1.905 0 40 EDAB CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)Cc3cccs3)C2)O1 96063339 YYJCYROHAKEEQE-PBHICJAKSA-N 338.473 1.629 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CCO[C@]3(CCN(Cc4ccoc4)C3)C2)cn1 96206536 DAZRVFOPURPTCD-SJLPKXTDSA-N 344.415 1.567 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2cccs2)Cc2ccnn21 248051605 XOCAOWFQTBCFON-AWEZNQCLSA-N 334.445 1.606 0 40 EDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C 248089319 LVSSDOYRLXSXPP-CWRNSKLLSA-N 336.457 1.639 0 40 EDAB CCCC[C@@H](NC(=O)c1cc(Cl)cn1C)[C@H](O)C(=O)NC1CC1 585079790 PGWCGKXKSBKBLY-OCCSQVGLSA-N 341.839 1.607 0 40 EDAB CCCCN(C)c1ccc(C(=O)N(C)[C@@H](C(=O)OC)[C@H](C)O)cc1 585089921 NKWOXFHPVYDAJA-XJKSGUPXSA-N 336.432 1.917 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCc1cnc(Cl)cn1 585088126 LFDFIRKQCSLTHZ-SNVBAGLBSA-N 326.784 1.756 0 40 EDAB C[C@]1(C(=O)NCc2nccn2CCc2ccccc2)CCNC1=O 585140565 HERBQXKVSGFEOC-SFHVURJKSA-N 326.400 1.268 0 40 EDAB CN(C)C(=O)[C@@]1(CCCc2cccnc2)CCCN(CC(N)=O)C1 257325998 WVIPKCFBPMXDHS-SFHVURJKSA-N 332.448 1.060 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)CN(C)C2CCCC2)CCO1 257248644 JEPJXALHCUIFSC-AWEZNQCLSA-N 333.436 1.293 0 40 EDAB C[C@@]1(O)CCN(C(=O)C2CCNCC2)C[C@H]1Oc1cccc(F)c1 257306834 SWEUVQRQHRSZJH-SJLPKXTDSA-N 336.407 1.556 0 40 EDAB Cc1nccc([C@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 257333927 YDRSNZWHTGJXIJ-CQSZACIVSA-N 345.403 1.824 0 40 EDAB CC(=O)N1[C@@H]2CN(C(=O)c3cccc(O)n3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257293526 QPWTVAXKVZMVIT-WLLUSJSYSA-N 329.400 1.791 0 40 EDAB O=C(N[C@@]1(CO)COc2ccccc2C1)c1ccc2c(c1)CCO2 529819403 ACMUTHLIMHQVGG-IBGZPJMESA-N 325.364 1.718 0 40 EDAB CCCn1ccc(C(=O)N2CCO[C@@H](c3cc(O)nc(C)n3)C2)n1 257302426 SCXMSDNOJJQEQH-CQSZACIVSA-N 331.376 1.311 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)CC1 257290896 QETGYKIPXRQFJI-QGZVFWFLSA-N 346.431 1.131 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2ccc(OCC(F)(F)F)cc2)CCO1 262969198 LGOIFUANJHAWKY-NSHDSACASA-N 333.262 1.553 0 40 EDAB CCCC(=O)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 1615539710 MFEXCANYECYGMM-UHFFFAOYSA-N 347.440 1.868 0 40 EDAB CS(=O)(=O)N(CCOc1cnc(Cl)nc1)Cc1ccccc1 1616039620 SAFBTSICXVWKOG-UHFFFAOYSA-N 341.820 1.971 0 40 EDAB Cc1ccc(N2CCC[C@@]3(CN(C(=O)c4cc[nH]n4)CCO3)C2)nn1 96090072 HBEIISGISJELKV-KRWDZBQOSA-N 342.403 1.020 0 40 EDAB CC(C)C(=O)N1CC2(CC[C@H](CNC(=O)c3cccnc3)CO2)C1 575404533 NSDOWJXKWNRLKA-CQSZACIVSA-N 331.416 1.475 0 40 EDAB CC(C)n1c([C@H](C)NC(=O)C2CS(=O)(=O)C2)nc2ccccc21 585140958 MEJWBMOVNLGGKI-NSHDSACASA-N 335.429 1.839 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1C[C@H]2CCN(C(=O)C3(F)CCC3)C[C@@H]2O1 585108913 CZSBXXSIELMYLX-AGIUHOORSA-N 348.378 1.313 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)Cc2ccccn2)C1 585275349 AVEUGVCZNUTSFR-IBGZPJMESA-N 326.396 1.975 0 40 EDAB CC(C)OCc1ccccc1CNS(=O)(=O)N1CCOCC1 44910732 LDZUUAOOZOKLKA-UHFFFAOYSA-N 328.434 1.278 0 40 EDAB CNC(=O)C1CCN(C(=O)c2oc(Br)cc2C)CC1 44398838 SZNMLECNJSVYPD-UHFFFAOYSA-N 329.194 1.949 0 40 EDAB COCCCNC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 57775699 VHZBJQIPTKTXQP-GFCCVEGCSA-N 336.310 1.954 0 40 EDAB CCOc1ccc(C(=O)CCC(=O)NC[C@@H]2CN(C)CCO2)cc1 58309400 KHCHNJCVKDSVQP-MRXNPFEDSA-N 334.416 1.495 0 40 EDAB CCN1CCN(c2ccc(F)cc2[C@H](C)NS(C)(=O)=O)CC1 58265555 NMFSYTCDYASMFV-LBPRGKRZSA-N 329.441 1.578 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)NC1CCC(C(F)(F)F)CC1 69585197 GVGHABXNPVVEPU-MCIGGMRASA-N 345.369 1.420 0 40 EDAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)N(C)CC(F)F)c1 69586941 BUIYFPQUZDKURT-UHFFFAOYSA-N 349.403 1.780 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCC(=O)N1CCc3sccc3C1)CC2 69661124 WGTRTKKLQBXJJI-ZDUSSCGKSA-N 345.472 1.391 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)NCCc2ccsc2)n1 69773644 PFSREVJJACZIPO-INIZCTEOSA-N 347.488 1.780 0 40 EDAB COC(=O)N1CCC[C@H](C(=O)Nc2cccc(Cn3cncn3)c2)C1 71847360 MDEHLBVQIXHUNY-AWEZNQCLSA-N 343.387 1.743 0 40 EDAB CN(C)Cc1ccc(C(=O)NCc2ccc(-n3cncn3)nc2)cc1 65538016 LPAKBBMPJZHRCC-UHFFFAOYSA-N 336.399 1.654 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)N(C)CCc1ccccn1 1579288222 MJNAAIUPHNROAM-LJQANCHMSA-N 325.412 1.892 0 40 EDAB CO[C@@H](C)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)C)C2)c1 106764141 CERWDNCRGPGFMJ-XJKSGUPXSA-N 333.432 1.931 0 40 EDAB O=C(NC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)c1occ2c1CCC2 1615547075 JGJPMLIXMVZFNW-KKUMJFAQSA-N 330.384 1.419 0 40 EDAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)[C@H]3CCCO3)nc12 12146354 QVMGMOIMUKTZGF-OAHLLOKOSA-N 340.383 1.253 0 40 EDAB O=C1NC2(CCN(CC(=O)N3CCCC3)CC2)Nc2ccccc21 19374665 IVHUGZLZIKQUJM-UHFFFAOYSA-N 328.416 1.256 0 40 EDAB CC[C@@H](C)NC(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479670 WSSUHZWVMJKPRB-VXGBXAGGSA-N 333.388 1.661 0 40 EDAB COc1ccc(C(=O)NCCS(=O)(=O)N2CCCCC2)cc1 4940940 IXQLXVIXQMVJOC-UHFFFAOYSA-N 326.418 1.241 0 40 EDAB O=C(c1cc[nH]n1)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888867060 ITLIBHJDXPYRNC-ZBEGNZNMSA-N 331.351 1.660 0 40 EDAB CCc1ncnc(N2CCC[C@H](C(=O)N3CCSCC3)C2)c1F 1889102706 XIFDHVXQMXQNIH-LBPRGKRZSA-N 338.452 1.970 0 40 EDAB Cc1cc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)nc(C2CC2)n1 1889108562 QNBNFTLUTGOOBF-ZDUSSCGKSA-N 336.461 1.713 0 40 EDAB O=S(=O)(N[C@H]1CCN(C2CCOCC2)C1)c1ccc(F)c(F)c1 1259094463 GMMSKXUDTCFVMN-NSHDSACASA-N 346.399 1.496 0 40 EDAB CCc1ccc(OCC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 29205444 ZOIFXSJNJKJAGO-CQSZACIVSA-N 340.445 1.168 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2NC(C)=O)C1 36391674 QCPQRZQVOSBLBW-CQSZACIVSA-N 348.399 1.826 0 40 EDAB Cc1cccnc1Nc1nccc(C2CCN(CC(N)=O)CC2)n1 2037646863 RACADCACDPOVFU-UHFFFAOYSA-N 326.404 1.588 0 40 EDAB c1cc2c(N3CCCN(c4ccc5nncn5n4)CC3)ncnc2cn1 1565520760 NFGPTONSMSXYOZ-UHFFFAOYSA-N 347.386 1.179 0 40 EDAB CCCCc1ccc(NC(=O)CN2CCN(CC)C(=O)C2=O)cc1 4326272 OGUUMCLNYKAYAA-UHFFFAOYSA-N 331.416 1.658 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(F)cc2)cc1 9571252 DUTMPKSLKZAHSR-UHFFFAOYSA-N 347.375 1.588 0 40 EDAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2)cc1C 9571077 ZIBWTPQZELIYOC-UHFFFAOYSA-N 343.412 1.758 0 40 EDAB O=C(C1CC1)N1CCC[C@@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771582 JVYTVORBMUSYPB-CQSZACIVSA-N 344.337 1.289 0 40 EDAB COCCNC(=O)[C@H]1CN(Cc2cccc(OC)c2)C[C@H]2OCC[C@H]21 2055747285 VLKIOZIPEQOCOE-OKZBNKHCSA-N 348.443 1.295 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)c2c(F)cccc2Cl)CC1 43979829 VLNHOHGBNDLGPW-UHFFFAOYSA-N 348.827 1.881 0 40 EDAB O=C(COc1ccc(F)cc1)N1CCN(c2cccnc2)C(=O)C1 575621034 UBXCWXAMOPEZQY-UHFFFAOYSA-N 329.331 1.475 0 40 EDAB O=C(c1cc2ccccc2oc1=O)N1CC[C@H](Oc2ccncn2)C1 575610220 FFRVRFFVWSAZKN-ZDUSSCGKSA-N 337.335 1.877 0 40 EDAB CCOc1ccc(C(=O)NCCn2ccnc2-c2cnccn2)cn1 585147622 ONBQOFCFJSMRQH-UHFFFAOYSA-N 338.371 1.564 0 40 EDAB O[C@@H]1CCCC[C@H]1N1CCN(c2cc(-n3cccn3)ncn2)CC1 2298178401 OCYFJXSEEGTCSV-HUUCEWRRSA-N 328.420 1.088 0 40 EDAB CC(C)[C@@H](CNC(=O)c1cnn(-c2ccccc2)n1)N1CCOCC1 40047074 AWXGQQBSDQJCOH-QGZVFWFLSA-N 343.431 1.354 0 40 EDAB O=C(Cc1cccc(Br)c1)N1CCN(CCO)CC1 50041735 CORLBQFBPMNQKQ-UHFFFAOYSA-N 327.222 1.128 0 40 EDAB COc1ncccc1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 40496248 JAXPGJMLIWSPRH-UHFFFAOYSA-N 341.415 1.167 0 40 EDAB CCOC(=O)c1nnn2c1nc(SCC(N)=O)c1ccccc12 159538 AWYUYIGCBFWNIE-UHFFFAOYSA-N 331.357 1.032 0 40 EDAB Cc1ccccc1OCCN(C#N)c1nc(N(C)C)nc(N(C)C)n1 181411 XVVBDOCUOGLIMR-UHFFFAOYSA-N 341.419 1.679 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(OC[C@@H]2CCCO2)cc1 40534198 SOHPUHQEOSKXKQ-ROUUACIJSA-N 346.427 1.872 0 40 EDAB O=C(NC1CCN(c2ncccn2)CC1)[C@@H]1COc2ccccc2C1 40529254 GOAOETYZAZTWAO-HNNXBMFYSA-N 338.411 1.813 0 40 EDAB CN1CCN(c2ccc(CNC(=O)N(C)Cc3ccco3)cn2)CC1 40553497 MQGIZXKXIBWOTF-UHFFFAOYSA-N 343.431 1.768 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)c(C)c1 51135578 KLYYANGUZHMHJY-RYUDHWBXSA-N 327.402 1.580 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)COc2ccc(C)cc2)n1 559485 LSLZRKHTPUFADB-UHFFFAOYSA-N 334.405 1.284 0 40 EDAB O=C(CCn1c(=O)oc2ccccc21)NCCN1CCCCCC1=O 32308731 UFXSAHRERNOOLV-UHFFFAOYSA-N 345.399 1.503 0 40 EDAB CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 6204831 BHPARDKFHZWOTM-ZDUSSCGKSA-N 342.461 1.929 0 40 EDAB O=C1CC[C@@H](C(=O)OCC(=O)c2ccc(Br)cc2)N1 6221267 IBCHUVQKVYMUBF-JTQLQIEISA-N 326.146 1.454 0 40 EDAB COc1ccc([C@@H]2NNC(=O)[C@H]2NC(=O)c2ccc(F)cc2)cc1 6441570 YMIBBNYVFVMYLH-GJZGRUSLSA-N 329.331 1.308 0 40 EDAB O=C(COc1cc(F)ccc1F)NCCN1CCCCCC1=O 69515346 QNWGHWODACTNHV-UHFFFAOYSA-N 326.343 1.862 0 40 EDAB CCSc1nnc(NC(=O)CCCN2C(=O)CN(C)C2=O)s1 7667459 YBCXWQSLLZYCNS-UHFFFAOYSA-N 343.434 1.263 0 40 EDAB NC(=O)CCS(=O)(=O)Cc1csc(COc2ccccc2)n1 52438929 SNFIJECPOKUVNR-UHFFFAOYSA-N 340.426 1.512 0 40 EDAB Cc1cc(Br)c2c(c1)[C@](O)(N1CCOCC1)C(=O)N2 2602845 CLPOYVVZGWRSFA-CYBMUJFWSA-N 327.178 1.187 0 40 EDAB CCN(C(=O)Cc1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 32885607 NSKWLFLOPUMVOU-OAHLLOKOSA-N 332.425 1.813 0 40 EDAB CCCNC(=O)CNC(=O)NCc1c(C)nn(-c2ccccc2)c1C 32809174 QAUXDDXVHGUIAV-UHFFFAOYSA-N 343.431 1.815 0 40 EDAB Cc1cc(O[C@H](C)C(=O)NCC(=O)O)c2c(C)c(C)c(=O)oc2c1 490849 VXTCIHUTCRCSHD-LLVKDONJSA-N 333.340 1.686 0 40 EDAB biogenic Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)NC(=O)[C@H]32)cc1 102264079 MIEJUNNYFIZEEM-UTLUCORTSA-N 332.406 1.624 0 40 EDAB Cc1cc(O)n2nc(CC(=O)Nc3ccc4c(c3)OCCO4)nc2n1 102728515 XTOYSZUEERJFMB-UHFFFAOYSA-N 341.327 1.091 0 40 EDAB Cn1cc(CNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cn1 53409517 VEQIQTKLPXWNSE-UHFFFAOYSA-N 344.459 1.759 0 40 EDAB Cc1cc(N2CCN(c3ccc(Br)cn3)CC2)nc(N)n1 42106543 CGMVFIHDFTZPMG-UHFFFAOYSA-N 349.236 1.851 0 40 EDAB COCC(=O)N1CC[C@H]2N(C)CC[C@@]2(C(=O)Nc2ccccc2)CC1 107183176 GYZCUYYPBSGNCN-VQIMIIECSA-N 345.443 1.584 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)n1 54703334 NYKSQCAFBYJNJL-KGLIPLIRSA-N 332.404 1.343 0 40 EDAB O=C(CN1CCN(C(=O)N2CCCCC2)CC1)NCc1ccco1 24245281 WAMJCWYVAZCWTB-UHFFFAOYSA-N 334.420 1.119 0 40 EDAB CCc1nnsc1C(=O)NCC(=O)N1CCCc2ccccc21 57269775 AOHXWVWBBZSWKU-UHFFFAOYSA-N 330.413 1.810 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)NCCCOc2ccccc2)CC1 25777020 RMZJXJHWIIGPDP-UHFFFAOYSA-N 340.445 1.243 0 40 EDAB CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccco2)cc1 67896290 PJBMCDPONOPVCS-RHSMWYFYSA-N 344.367 1.813 0 40 EDAB biogenic,in-vitro CN(C)C(=O)CNC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 43854165 OFVMMPMFDISSQY-UHFFFAOYSA-N 327.388 1.571 0 40 EDAB O=C(Cc1n[nH]c2ccccc12)N1CC[C@H](CN2CCOCC2)C1 76041690 WNXKXUZSJHCAOE-CQSZACIVSA-N 328.416 1.286 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2Cl)CC1 47975466 CPPSZFRMJFPFKY-INIZCTEOSA-N 349.862 1.648 0 40 EDAB CCc1nnc(NC(=O)Cc2csc(NS(C)(=O)=O)n2)s1 57985895 ACNCSBJPXWJYKH-UHFFFAOYSA-N 347.447 1.110 0 40 EDAB Cc1nc(NC(=O)CN2CCN(c3ccccn3)CC2)sc1C 12695061 OTUFGYDDGGBYPN-UHFFFAOYSA-N 331.445 1.916 0 40 EDAB CCCCn1nc(C)c(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1Cl 44720528 XIFONSIBVXBJCT-LLVKDONJSA-N 347.868 1.810 0 40 EDAB C[C@@](NS(=O)(=O)c1ccc2c(c1)CCC2)(C(N)=O)c1ccccc1 58148151 VNDJQJDUKWVQAL-SFHVURJKSA-N 344.436 1.854 0 40 EDAB Cc1cc([C@@]2(C)NC(=O)N(Cc3ccc(C(N)=O)cc3)C2=O)c(C)o1 58191341 TYJQACYMGNESHI-GOSISDBHSA-N 341.367 1.963 0 40 EDAB Cn1ccc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1=O 58281315 AZGRMESOGVCQJS-CYBMUJFWSA-N 340.301 1.868 0 40 EDAB C[C@@H]1CN(CCNC(=O)Nc2cccnc2N2CCCC2)C[C@@H](C)O1 44952088 ZGBRCDAJWOIXID-HUUCEWRRSA-N 347.463 1.913 0 40 EDAB COc1cc(CC(=O)OCc2nnc(C)n2C)cc(OC)c1OC 36392716 KNPRAQJNIOEABA-UHFFFAOYSA-N 335.360 1.435 0 40 EDAB O=C(Cn1cnnn1)N(Cc1cccc(Br)c1)C1CC1 45413590 NMZWLSCMAUUWLD-UHFFFAOYSA-N 336.193 1.627 0 40 EDAB COc1ccc(CN2CCCN(C(=O)CCn3cncn3)CC2)cc1 48275443 KXOMVQBJAGPCQM-UHFFFAOYSA-N 343.431 1.411 0 40 EDAB COc1ccc(OC)c2c1CN(C(=O)NC[C@H]1CCCO1)C[C@H]2O 48286704 GBAJIIDAZNVPMH-DGCLKSJQSA-N 336.388 1.441 0 40 EDAB CCCOc1ccc([C@@H](C)NC(=O)Cn2cccnc2=O)cc1OC 48229962 YVNLWQKMYYWNAI-CYBMUJFWSA-N 345.399 1.918 0 40 EDAB O=C1CCc2cc(C(=O)NCc3ccc(-n4cncn4)nc3)ccc2N1 48278591 XVAIQVNTOAUIMU-UHFFFAOYSA-N 348.366 1.477 0 40 EDAB CC[C@@](C)(CNC(=O)NCCc1csc(C)n1)N1CCOCC1 48236309 SCCUIHDDYIZYJJ-INIZCTEOSA-N 340.493 1.794 0 40 EDAB CCC[C@@H](C)NC(=O)CS(=O)(=O)c1nnc(NC(C)(C)C)s1 48365655 AFDWCBNMZQLOOM-SECBINFHSA-N 348.494 1.827 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1C[C@@H](C)O[C@H](C)C1)C2=O 21898006 FKWFUYZRQFVCJI-SFDCBXKLSA-N 337.420 1.123 0 40 EDAB CC(C)CNC(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O 3504697 PBMKYUYLMAYMDC-CYBMUJFWSA-N 336.413 1.805 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCC2=O)c1C 3516458 PPZGSVQKXZZHPY-UHFFFAOYSA-N 336.344 1.114 0 40 EDAB CCc1ccc([C@@H](C)NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1 12928913 YRRNSFDRHVDAOF-SNVBAGLBSA-N 332.429 1.884 0 40 EDAB CC(C)c1ccc(N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 8729115 LDAWHBFRLFLOQW-LLVKDONJSA-N 344.415 1.473 0 40 EDAB COC(=O)c1cccc(NC(=O)[C@@H](C)n2c(C)cc(C)nc2=O)c1 19820856 JEMQJHPJLZTPQM-GFCCVEGCSA-N 329.356 1.846 0 40 EDAB Cc1cnc(N2CC[C@@]3(COCC[C@@H]3NC(=O)N3CCCC3)C2)nc1 306143513 YEJMHFBBNSKHPQ-YJBOKZPZSA-N 345.447 1.576 0 40 EDAB O=C(NCCc1ccc(O)cc1)C(=O)Nc1cccc2nonc12 13691217 FUIKSKPNMKBPEO-UHFFFAOYSA-N 326.312 1.226 0 40 EDAB NC(=O)C1(NC(=O)COc2ccc(Br)cc2)CCCC1 70879250 UPJCVXWQINCPFJ-UHFFFAOYSA-N 341.205 1.742 0 40 EDAB Cc1cc(N2CCOCC2)nc2sc3c(NCCO)ncnc3c12 71280220 FZFHNCPYFXDCAO-UHFFFAOYSA-N 345.428 1.789 0 40 EDAB COc1cc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)cc(OC)c1 15565824 WFRGEDIFNQMPDC-UHFFFAOYSA-N 347.415 1.197 0 40 EDAB CCOc1ccc(S(=O)(=O)Nc2cnn(CC)c2)cc1C(=O)O 60817287 HXPNHEISBUQNPZ-UHFFFAOYSA-N 339.373 1.801 0 40 EDAB CCCn1nc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)ccc1=O 96011827 PPKUFIOEZVUUHK-UHFFFAOYSA-N 338.371 1.701 0 40 EDAB O=C(NCCN1CCOCC1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96118303 WFTURRAOTFJRJL-UHFFFAOYSA-N 342.399 1.074 0 40 EDAB CC(C)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=O 8189233 OUJZPXUMAGFERO-LLVKDONJSA-N 338.351 1.884 0 40 EDAB O=C(COc1ccc2c(c1)CCC2)N1CCN(C(=O)C2CC2)CC1 8262679 QRNOIPDJKSQGHA-UHFFFAOYSA-N 328.412 1.635 0 40 EDAB CC(C)(C)[C@H](NC(=O)CN1CCN(CCO)CC1)c1cccs1 70037081 JUSQSLGPZFSIAS-MRXNPFEDSA-N 339.505 1.561 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)C2(c3cccc(C)c3)CC2)CC1 70037332 MALLOEKLXXTUJU-SFHVURJKSA-N 346.471 1.568 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN[C@@H](C)Cn1cccn1 69378012 AQVKHOVZHMAPAH-AWEZNQCLSA-N 328.416 1.849 0 40 EDAB CC[C@]1(C)NC(=O)N(NC(=O)Cc2ccc3c(c2)CCCC3)C1=O 9502277 FWCZKNYYOQCSAF-SFHVURJKSA-N 329.400 1.860 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 9582211 DJVXUASQODMTSN-ZDUSSCGKSA-N 340.401 1.016 0 40 EDAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCCN(Cc2nccn2C)CC1 71863834 ZLFZDWNLPMNUHH-CYBMUJFWSA-N 345.447 1.863 0 40 EDAB O=C1CCC(C(=O)N2CCO[C@H]3CCC[C@@H]32)=NN1c1ccccc1 71822651 KTUVCCIPFMUULY-HOTGVXAUSA-N 327.384 1.949 0 40 EDAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCN(C2CC2)CC1 71836771 XTPWSFAGSLGEMN-UHFFFAOYSA-N 349.818 1.945 0 40 EDAB Cn1ncc(C(=O)NCC[S@@](=O)c2ccccc2)c1-n1cccc1 71896477 CPMXNRGKRVIKMH-DEOSSOPVSA-N 342.424 1.748 0 40 EDAB CN(C)Cc1ccc(N2CCN(CCOCC(F)(F)F)CC2)nc1 71875049 NGWQYTXRHXIPCY-UHFFFAOYSA-N 346.397 1.844 0 40 EDAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)CCS(C)(=O)=O)c2)n1 71931261 SYOVGNZOPWIHSG-UHFFFAOYSA-N 349.412 1.373 0 40 EDAB CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCOCC1 71900112 CEUIUTFXPSPKHW-OAHLLOKOSA-N 336.457 1.326 0 40 EDAB C[C@H](C(=O)NC1CCCCC1)[S@](=O)Cc1cccc(C(N)=O)c1 83966950 AUXXCWLMFBPKBJ-SPSFWMDKSA-N 336.457 1.872 0 40 EDAB CNS(=O)(=O)c1cccc([C@@H](C)NCc2nnc(C)s2)c1 97033220 NYPMNBFYPBSZGO-SECBINFHSA-N 326.447 1.605 0 40 EDAB Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCC[C@H](O)C2)s1 97020327 REFPBBKFUICOLS-LBPRGKRZSA-N 348.428 1.223 0 40 EDAB Cc1nc2n(n1)C[C@H](NCc1ccc(OCCN(C)C)cc1)CC2 72288466 CRHRPILXEIZHQA-MRXNPFEDSA-N 329.448 1.632 0 40 EDAB O=C(O)[C@@H]1CCC(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc2c1OCO2 72275645 HCWUWGZJLYJJCK-NORZTCDRSA-N 347.367 1.959 0 40 EDAB CC[C@@H]1COCCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 78966322 DHEVJKNOYMQACE-GOSISDBHSA-N 331.460 1.685 0 40 EDAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1NCCc2[nH]cnc21 72410434 RXCJPTJVFRVBMA-KRWDZBQOSA-N 339.399 1.040 0 40 EDAB C[C@H]1Oc2c(cccc2C(=O)N(C)CC(=O)NC(C)(C)C)NC1=O 84678259 OHOZNDMDHNBLLW-SNVBAGLBSA-N 333.388 1.393 0 40 EDAB CCCS(=O)(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 84758708 DGDBCVLGWZYHIR-UHFFFAOYSA-N 344.481 1.615 0 40 EDAB Cc1nccn1CCCNC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 95447202 UBEFOCWDTBAYFL-GFCCVEGCSA-N 347.385 1.860 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)NCCOc1cccc(C(C)(C)C)c1 73235319 UDQKKUDYSGZLHW-CYBMUJFWSA-N 333.432 1.893 0 40 EDAB COc1ccc(/C=C/C(=O)N[C@H]2CCc3nnc(C)n3C2)cc1F 95957937 NEANOPVVCIQYHE-GBVBUYCNSA-N 330.363 1.879 0 40 EDAB Cc1ccc2c(c1)C(=O)N(CCC(=O)/N=c1/sccn1C)C2=O 25128215 ZCVPCSRKTMUDPB-WUKNDPDISA-N 329.381 1.509 0 40 EDAB COCCN1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O 409130138 WDGROABXGNWMTJ-UKTHLTGXSA-N 347.396 1.560 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C3OCCO3)O2)cc1C 409277321 BOWHLVUTNMFPIW-NXEZDXNNSA-N 341.363 1.489 0 40 EDAB O=C1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 20225 DQCKKXVULJGBQN-TTYHFUOFSA-N 341.407 1.525 0 40 EDAB biogenic,in-vitro CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCN(CC)CC)C1=O 35313852 HABUBTIJJGRQOT-INIZCTEOSA-N 347.459 1.957 0 40 EDAB CN1CCN([C@@H](c2ccc(O)cc2)c2nnnn2C(C)(C)C)CC1 35311168 GPWYZCFQOGCOMM-HNNXBMFYSA-N 330.436 1.471 0 40 EDAB CN(CCn1cccn1)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 78113387 CJAFRDKMEQGXDF-QGZVFWFLSA-N 328.416 1.243 0 40 EDAB CNc1cnc(C[C@@H]2COCCN(C(=O)c3coc(C)n3)C2)cn1 72388256 NMFMQFCRTLWZIW-LBPRGKRZSA-N 331.376 1.146 0 40 EDAB Cc1nc2c(-c3ccc(Cl)cc3)nc(=O)n(CC(N)=O)c2s1 32615798 VEVQPDHPIDBEMG-UHFFFAOYSA-N 334.788 1.967 0 40 EDAB COc1ccc([C@@H]2[C@@H](C(C)=O)C(=O)C[C@](C)(O)[C@H]2C(C)=O)cc1OC 36077779 ISBHDKJASSZWAM-RDGPPVDQSA-N 348.395 1.922 0 40 EDAB COCC(=O)N1CCC(c2nccnc2Nc2ncccn2)CC1 72363605 RJMLQWAKEGLCHD-UHFFFAOYSA-N 328.376 1.363 0 40 EDAB CC(C)c1noc(CCNC(=O)NCc2ncnn2C(C)(C)C)n1 225693046 FXOVBLLRWOFBOC-UHFFFAOYSA-N 335.412 1.581 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccoc2)c(OC)c1 75171987 RMROCMYTOVZUDG-ZDUSSCGKSA-N 334.328 1.085 0 40 EDAB Cc1cc([C@](C)(O)CNC(=O)c2cccc(-n3cnnn3)c2)c(C)o1 80899113 NKTNQGSHMGCGPM-QGZVFWFLSA-N 341.371 1.510 0 40 EDAB COC[C@@](C)(O)CNc1ncnc2cc(Br)ccc12 581112606 BFNQTTJEWKHKDK-ZDUSSCGKSA-N 326.194 2.202 0 40 EDAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(C(=O)Cc4cccs4)CC[C@@H]23)n1 96220398 QTZACZOUIBXJLT-YUELXQCFSA-N 346.456 1.823 0 40 EDAB CCCCS(=O)(=O)N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1 96189760 CHKHPOBTYWUJAP-OAHLLOKOSA-N 338.473 1.835 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2c(F)cccc2N2CCCC2)C1 93531509 AHKXIKQUUGYFOS-CYBMUJFWSA-N 341.452 1.549 0 40 EDAB Cc1nc(CN2C(=O)CCC23CCN(S(C)(=O)=O)CC3)cs1 96228190 REHFDQBLOQSXDX-UHFFFAOYSA-N 343.474 1.368 0 40 EDAB CC(C)C(=O)N1CC[C@@]2(COCc3cnc(NCC4CC4)nc32)C1 96244117 DTSORJZXDSKJHI-SFHVURJKSA-N 330.432 1.955 0 40 EDAB Cc1nc(CN2CCC3(CC2)C[C@H](c2cnn(C)c2)C(=O)N3)cs1 96069606 BTQDULYARAPBHJ-OAHLLOKOSA-N 345.472 1.823 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)COc1ccc2c(c1)NC(=O)CC2 96232234 ZXQWSISONCPGNC-CQSZACIVSA-N 331.416 1.551 0 40 EDAB COc1cc(N2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)ncn1 96205835 NBSXASJQCMUTPQ-SJCJKPOMSA-N 346.362 1.836 0 40 EDAB COc1cc(N2CC[C@]3(CCCN(Cc4cnn(C)c4)C3)C2)ncn1 96217254 BDXYSNZZYQXOKF-SFHVURJKSA-N 342.447 1.711 0 40 EDAB COc1ccc(CN2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)cc1 96185804 AIBJYLJMCYNCNY-GBESFXJTSA-N 332.444 1.759 0 40 EDAB O=C(NCCN1CCCC1)[C@H]1C[C@H]2[C@H](CCN2Cc2ccccn2)O1 96183696 HGCUQEUSMARHHL-OKZBNKHCSA-N 344.459 1.025 0 40 EDAB Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CO[C@H]3CN(C)C)C2)c1 96065610 CMHFWXTVVRJGBR-XIRDDKMYSA-N 338.473 1.582 0 40 EDAB NS(=O)(=O)c1cccnc1NC[C@@H]1CCN(CC(F)(F)F)C1 96462045 UPUMEZHOKXRCQN-VIFPVBQESA-N 338.355 1.025 0 40 EDAB c1cc(CN2CCOC[C@]3(C2)CN(Cc2ccoc2)CCO3)ccn1 96229437 MQQHBZONCKHDLI-IBGZPJMESA-N 343.427 1.778 0 40 EDAB Cn1cc(CN2CCc3ncnc(Oc4cccnc4)c3CC2)cn1 96255661 PNGPFTPSTXSPNJ-UHFFFAOYSA-N 336.399 1.998 0 40 EDAB CN1CC2(CCN(S(=O)(=O)C3CC3)CC2)C[C@@H]1COCC1CC1 96209249 IMZVFKNPQSNGND-OAHLLOKOSA-N 342.505 1.692 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2cncnc2)cc1 583623234 YUNWWAVXTQAKIN-WMZOPIPTSA-N 327.384 1.998 0 40 EDAB CCN(CC(=O)N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1)C1CC1 583618915 HEDNGRSQKSWHQG-KRWDZBQOSA-N 335.452 1.153 0 40 EDAB O=C(c1cccnc1)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 247859812 MGHANUPCDQUAOU-QGZVFWFLSA-N 339.395 1.925 0 40 EDAB Cc1nc(C[C@@H]2CCCN(c3ncccn3)C2)cc(C(=O)N(C)C)n1 257339279 ZBAQOQLXERYRCL-AWEZNQCLSA-N 340.431 1.736 0 40 EDAB CC(C)C[C@@H](C(=O)O)N(C)C(=O)c1nn(C)c2ccccc2c1=O 584481293 IHYSINRWGWQNKV-ZDUSSCGKSA-N 331.372 1.505 0 40 EDAB CCOc1nccn2c(CNC(=O)[C@@H](C)Oc3ccccc3)nnc12 253472067 IOBDGJSJJSOZQX-GFCCVEGCSA-N 341.371 1.607 0 40 EDAB Cn1nccc1C(=O)N1CCC2(CC1)CO[C@H](Cc1cncnc1)C2 257231522 GHCVSOWWTDCKMS-OAHLLOKOSA-N 341.415 1.464 0 40 EDAB C[C@](CO)(CNCc1cnc(N2CCOCC2)nc1)c1ccccc1 585083541 ACBJJCVGXPMBSM-LJQANCHMSA-N 342.443 1.353 0 40 EDAB CC(C)(C)c1cc(C(=O)N[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)[nH]n1 257318249 VNCFNVLIHYOGDH-XNRPHZJLSA-N 344.415 1.803 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CC([C@H](C)O)C3)C2)c1 585131142 MUWMHJAMZURQEI-JKSUJKDBSA-N 344.455 1.995 0 40 EDAB Cc1cc2nc([C@@H]3CCCCN3CC(=O)N3CCCC3)cc(O)n2n1 257263576 LQQCUOBALMURGT-HNNXBMFYSA-N 343.431 1.893 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257244679 IMIRVASADGEBPD-OAHLLOKOSA-N 329.404 1.589 0 40 EDAB NC[C@@H]1CN(C(=O)c2cnn3ccc(N)cc23)C[C@@H]1C(F)(F)F 1615547178 OQOZINWBOHKUNC-KCJUWKMLSA-N 327.310 1.126 0 40 EDAB CCOc1ccc([C@H](C)NC(=O)C[C@@H](O)CN(C)C)cc1OCC 1615585761 DQOZSYFKMKBQKA-DZGCQCFKSA-N 338.448 1.974 0 40 EDAB C[C@H](N[C@H]1CCN(CC2CC2)C1)c1ccc(S(N)(=O)=O)cc1F 1616041476 UQOSSWFKWMLPRX-AAEUAGOBSA-N 341.452 1.608 0 40 EDAB CCC(=O)N1CC[C@H](NC(=O)c2cccc(OCC(=O)O)c2)[C@@H](C)C1 1616040597 VCVOSPKBQARJOP-WFASDCNBSA-N 348.399 1.527 0 40 EDAB Cn1nccc1C(=O)N1C[C@H]2CCC[C@]2(c2nc(CC3CC3)no2)C1 1614509371 BUIMFIILXWNIEA-ACJLOTCBSA-N 341.415 1.950 0 40 EDAB COc1cc(S(=O)(=O)NC[C@H]2C(C)(C)C2(F)F)ccc1C(=O)O 663424711 CKEKKICJUOTIKK-NSHDSACASA-N 349.355 1.963 0 40 EDAB O=C(N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1cccnc1)C1(F)CCC1 585105198 QBGKKQAPRCUWQY-CXAGYDPISA-N 347.390 1.317 0 40 EDAB O=C1CCCN1CC[C@@H]1CN(Cc2cccnc2)Cc2ccnn21 585113003 ZTCKWHJLHIOXOV-QGZVFWFLSA-N 325.416 1.848 0 40 EDAB Cn1ccnc1C(=O)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 585276986 TWDHHYBPXWEZSL-KRWDZBQOSA-N 333.363 1.005 0 40 EDAB Cc1cccc(CN2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)n1 585111985 GLUVDRVOESIMSY-MRXNPFEDSA-N 349.460 1.083 0 40 EDAB C[C@@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)CC1CC1 585097425 JVCBNBBXBLBVRW-GFCCVEGCSA-N 330.432 1.798 0 40 EDAB Cc1cccnc1CN1Cc2ccnn2CC[C@H]1CNC(=O)C1CC1 585096911 FMQRITKPZUWOND-INIZCTEOSA-N 339.443 1.887 0 40 EDAB COc1ccc(CC[C@H](C)NC(=O)CCSc2nnnn2C)cc1 58290627 QATYYCUSVAPZBB-LBPRGKRZSA-N 349.460 1.838 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)NCc2ccc(F)cc2)C1 58014522 NAPVNLWECZRFNB-CYBMUJFWSA-N 329.397 1.049 0 40 EDAB C[C@@H]1c2cc(F)ccc2CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 73728135 KCDQAOWEERMHTG-UKRRQHHQSA-N 347.434 1.682 0 40 EDAB CCc1ncnc(N2CCCN(c3ccc4nncn4n3)CC2)c1F 1565520791 PQGJCXQBGNZTAN-UHFFFAOYSA-N 342.382 1.333 0 40 EDAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4cccnc4)CC3)nn2)n1 78783343 JODRVASGJBLOAL-UHFFFAOYSA-N 349.442 1.996 0 40 EDAB Cn1cc(N2CCC[C@H](Nc3ccc4c(c3)CCC(=O)N4)C2=O)cn1 98014348 KDXUMMBNHGZWPU-INIZCTEOSA-N 339.399 1.912 0 40 EDAB CN1CC[C@H](N(C)Cc2ccc(I)cc2)C1=O 75752607 ATFKRPJKFTVHAB-LBPRGKRZSA-N 344.196 1.954 0 40 EDAB CN1C[C@@H](C(=O)NCc2cnccn2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595767 LSEKVWOSOXGGBD-VYDXJSESSA-N 342.374 1.543 0 40 EDAB Cc1cnc(-c2nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)no2)cn1 12187421 VYHMUJHSSCAURN-AWEZNQCLSA-N 343.387 1.720 0 40 EDAB COc1ccc2c(c1)OC1(CCN(C(=O)C(C)C)CC1)CNC2=O 12225890 NWMYKSLPEQNJNH-UHFFFAOYSA-N 332.400 1.835 0 40 EDAB CNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 13584629 VIXZDJPQIUTYTG-UHFFFAOYSA-N 334.397 1.637 0 40 EDAB Cc1cc(C)nc(SCc2cc(=O)[nH]c(N3CCN(C)CC3)n2)n1 13639756 LBYDZRGGLJKJCW-UHFFFAOYSA-N 346.460 1.221 0 40 EDAB COCCN1CCC(CNS(=O)(=O)c2ccc(C)c(C)c2)CC1 22999848 UISGBWPREAFAFH-UHFFFAOYSA-N 340.489 1.940 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H](C)[C@@H]2CCCO2)C1=O 27884155 OQYCQPGWFUCADD-IPYPFGDCSA-N 332.400 1.874 0 40 EDAB C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 29201907 KLVXXTZZILNFPE-ZFWWWQNUSA-N 340.445 1.132 0 40 EDAB CCN(CC)[C@H](CNC(=O)C1=NN(C)C(=O)CC1)c1ccsc1 31985729 KUZMTZGZKZVPKG-CQSZACIVSA-N 336.461 1.855 0 40 EDAB Cn1cccc(C(=O)N2CCC[C@@H](COc3ncccn3)C2)c1=O 1775995305 MYZOALZPUHEMQX-CYBMUJFWSA-N 328.372 1.107 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2cscn2)CC1 40466239 QMCQCNAFJGLIPV-MRXNPFEDSA-N 345.424 1.627 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](N)C2)cc1Br 36297315 SDBINHLBRBRIDP-SECBINFHSA-N 349.250 1.570 0 40 EDAB COCC(=O)N1CC[C@]2(CC[C@@H](C(=O)Nc3cccnc3)O2)[C@@H](C)C1 1142819512 KEOZPUCQSJUTFQ-DHSIGJKJSA-N 347.415 1.453 0 40 EDAB CCc1ncnc(N2C[C@@H]3CN(c4cc(C)ncn4)C[C@@H]3C2)c1F 2087121387 GFZSUHSSTIBHIY-BETUJISGSA-N 328.395 1.849 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCCN([C@H]2CCOC2)CC1 1565522782 PYYXBSXQQRYFGP-AWEZNQCLSA-N 340.445 1.181 0 40 EDAB Cc1c[nH]c(=O)nc1SCC(=O)NCc1ccc2c(c1)OCO2 9808880 WLAJEYILYJMVKL-UHFFFAOYSA-N 333.369 1.216 0 40 EDAB O=C(NCCc1ccccc1)c1nc(Cn2cc(Cl)cn2)no1 12376317 RWFFVHITYAHNBG-UHFFFAOYSA-N 331.763 1.940 0 40 EDAB O=C(NCC1CC1)c1noc2c1C[C@@H](NC(=O)C1CCOCC1)CC2 2055745543 IWQQZIDHAAFNAB-ZDUSSCGKSA-N 347.415 1.215 0 40 EDAB COCCn1/c(=N/C(=O)c2cn(C)nc2OC)sc2ccccc21 100873803 WBERYYGCHUIUHX-MSUUIHNZSA-N 346.412 1.832 0 40 EDAB O[C@H]1CCN(C2CCN(c3ncc(Br)cn3)CC2)C1 664598511 VMCCCUFDLIBHLW-LBPRGKRZSA-N 327.226 1.275 0 40 EDAB Cc1cnc2n(c1=O)[C@@H](CC(=O)Nc1ccc(C(N)=O)cc1)CS2 14032360 FYLLDNBTKAVIKK-LBPRGKRZSA-N 344.396 1.326 0 40 EDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C(C)C)n(C)n1)CC2 96445379 ZYOCONXKESUMKX-CVEARBPZSA-N 335.448 1.936 0 40 EDAB COC[C@@H](O)CN(C)C(=O)c1cc(Br)cnc1Cl 50045705 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333.392 1.216 0 40 EDAB CCCn1c(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n[nH]c1=O 60330530 NRNCBGHAZPXKTA-UHFFFAOYSA-N 349.334 1.974 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@@H](N2CCCC2)C1 69421383 SJYIQEFMWISLQH-MRXNPFEDSA-N 326.404 1.363 0 40 EDAB CCc1ccccc1NC(=O)CN1CCN(C[C@H]2CCCO2)CC1 32758734 SHYQEEPURNPNAQ-QGZVFWFLSA-N 331.460 1.984 0 40 EDAB COc1ccc(CCNC(=O)C(=O)NCc2ccncc2)cc1OC 4116489 KERWNOVNTDNNDL-UHFFFAOYSA-N 343.383 1.074 0 40 EDAB COc1ccccc1C1=NO[C@H](C(=O)NCCCn2ccnc2)C1 6738340 UZQCLSZPIUAFRI-INIZCTEOSA-N 328.372 1.591 0 40 EDAB CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 479272 BAYOMXJXRGQWBS-UHFFFAOYSA-N 340.445 1.813 0 40 EDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCC1CCCC1 33054810 QVHIMRZQYHIIHX-UHFFFAOYSA-N 343.431 1.684 0 40 EDAB O=C(c1ccc[nH]1)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 69704573 WFHOPYNMFYNHTA-ZDUSSCGKSA-N 333.413 1.598 0 40 EDAB O=C(Nc1c[nH]ccc1=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 52964502 CKXMKAWOYCBDCX-CQSZACIVSA-N 325.368 1.405 0 40 EDAB Cn1c(=O)c2c(-c3ccccc3)n(C[C@@H]3CCCO3)cc2n(C)c1=O 534802 RZFOEBQKQDPQSQ-AWEZNQCLSA-N 339.395 1.885 0 40 EDAB C[C@@H](CNC(=O)c1cc(-c2cccc(F)c2)no1)N1CCOCC1 41830936 PIABHAXTEWNTEW-LBPRGKRZSA-N 333.363 1.931 0 40 EDAB CCC[C@H]1NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 9762185 XVRBMQWPZKQROQ-LLVKDONJSA-N 333.344 1.117 0 40 EDAB CNC(=O)C1CCN(CC(=O)N2CCC(c3ccccc3)=N2)CC1 12334023 FKYBFAXCRFQBAO-UHFFFAOYSA-N 328.416 1.081 0 40 EDAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccnc(-n2cncn2)c1 53792361 SWFONOFRCWWKKS-UHFFFAOYSA-N 347.382 1.901 0 40 EDAB O=C1C[C@@H](N(C(=O)CCc2nc3ccccc3s2)C2CC2)C(=O)N1 104111174 PNCKZCKDVRPGLL-GFCCVEGCSA-N 343.408 1.635 0 40 EDAB COC(=O)CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C)s1 69741292 NFJNBTPLMLCFQA-UHFFFAOYSA-N 343.430 1.154 0 40 EDAB CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)OC(C)C)c1 22987879 NXIDJYJRNNJCEB-UHFFFAOYSA-N 329.374 1.093 0 40 EDAB C[C@@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1F 42324245 GNJLVZZDHXMWRX-ZJUUUORDSA-N 332.372 1.760 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccnc1N1CCOCC1 69709184 BKRIKYFYGQSWNY-SJORKVTESA-N 344.459 1.617 0 40 EDAB O=C1C[C@H](C(=O)N2CCC(N3CCNC3=O)CC2)c2ccccc2N1 54318023 OIMAHKUFGALYNU-AWEZNQCLSA-N 342.399 1.129 0 40 EDAB COc1ccc2cc(C(=O)NC[C@@]3(O)CCCNCC3)n(C)c2c1 72122225 OCAVJODRSBECCH-GOSISDBHSA-N 331.416 1.421 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(Cc2ccco2)CC1 23467650 IIVKTEWJTOOFRE-HNNXBMFYSA-N 345.447 1.775 0 40 EDAB Cn1nnc2c1[C@@H](COCc1ccccc1)CN([C@H]1CCOC1)C2 107214319 KZDRHVIIGDEPPD-CVEARBPZSA-N 328.416 1.720 0 40 EDAB NC(=O)c1cccc(CNC(=O)N2CCC[C@H]2CN2CCCCC2)c1 105131435 AIFIESLPAVFTDL-KRWDZBQOSA-N 344.459 1.945 0 40 EDAB C[C@H](CNC(=O)NC[C@@H](c1ccsc1)N(C)C)N1CCOCC1 89900985 RZRODTKCLHWKAK-HIFRSBDPSA-N 340.493 1.371 0 40 EDAB COc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)ccc1O 105739807 IJIDPZBWGKXTOS-TVXJZBATSA-N 333.409 1.375 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C)C[C@H]1c1ccccc1 106045215 DCPIDSYBWXFDKY-HNNXBMFYSA-N 335.429 1.969 0 40 EDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 106542435 QOOHUKVHBDGWEH-OWCLPIDISA-N 347.459 1.978 0 40 EDAB Cc1cccc(OCCNC(=O)[C@@H](C)N2CCO[C@@H](CN(C)C)C2)c1 106787334 GMGRNXMSJRKWPH-AEFFLSMTSA-N 349.475 1.141 0 40 EDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)CNCC(F)(F)F)CCO2)n1 76046653 SDKMJQJWBNFNLT-VIFPVBQESA-N 349.357 1.154 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)CCN2C(=O)CCC2=O)cc1 25888092 JJINGTSUAOIWMX-UHFFFAOYSA-N 332.400 1.672 0 40 EDAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccn(CC(N)=O)n1 57254899 YRAJVEIZOSEZPL-CYBMUJFWSA-N 342.399 1.826 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)cc1OC 2093470 VJMGPZDOMKBFTA-UHFFFAOYSA-N 344.433 1.239 0 40 EDAB O=C(CN1CCc2sccc2C1)N1CCN(c2ccccn2)CC1 10107421 MZJVMEXUFUGDCK-UHFFFAOYSA-N 342.468 1.850 0 40 EDAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN1CCN(CCO)CC1 20026384 ZZLBEVSEZMEJBB-SFHVURJKSA-N 345.487 1.537 0 40 EDAB Cc1noc(NC(=O)CCCOc2ccc(S(C)(=O)=O)cc2)n1 58267163 PFYQSUVHDGESEC-UHFFFAOYSA-N 339.373 1.579 0 40 EDAB C[C@@H](NC(=O)NCCc1cccnc1)C(=O)NCc1ccccc1 58247769 OHZWWLMOTBKQDY-CQSZACIVSA-N 326.400 1.628 0 40 EDAB CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 2145409 HJQFIYOXJTWIPH-PASDCYSWSA-N 343.379 1.935 0 40 EDAB biogenic CC[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)N1CCCC1 44951453 IKPJUDOXSMDDSN-INIZCTEOSA-N 347.463 1.914 0 40 EDAB C[C@H](O)CNC(=O)C1CCN([C@H](C)c2nc(-c3ccco3)no2)CC1 44951052 GLXUXLXZGLKJKU-NWDGAFQWSA-N 348.403 1.600 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)N(C[C@@H]1CCOC1)C1CC1 44940892 IECMBPZIVBAZFR-ZDUSSCGKSA-N 342.399 1.209 0 40 EDAB CN1CCN(C(=O)c2ccc(CNC(=O)COCC3CC3)cc2)CC1 36391904 GTZMTWCTMZPSGV-UHFFFAOYSA-N 345.443 1.117 0 40 EDAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 45241843 HLAJIJWCYMXWHD-GHMZBOCLSA-N 327.402 1.316 0 40 EDAB Cc1cc(CN2CCN(C(=O)Nc3ccc(N(C)C)nc3)CC2)on1 48353940 KEJCXVCTQXXUHR-UHFFFAOYSA-N 344.419 1.794 0 40 EDAB CC(C)C[C@H]1NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O 3487643 FYQGSWUSXKNKFO-CYBMUJFWSA-N 337.807 1.923 0 40 EDAB CNC(=O)NC(=O)COc1ncnc2sc3c(c12)CC[C@@H](C)C3 3516499 QBYIZYJRHVSTIZ-MRVPVSSYSA-N 334.401 1.651 0 40 EDAB CC(C)n1ncc2cc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cnc21 13014972 NBVIZCQDPPUXCF-CYBMUJFWSA-N 336.417 1.271 0 40 EDAB COC(=O)NCC(=O)Nc1cc2c(cc1Br)OCCO2 48890164 AJYDCTZSZWAKSI-UHFFFAOYSA-N 345.149 1.515 0 40 EDAB O=C(c1ccc(N2CCOCC2)c(F)c1)N1CCCN2CCC[C@@H]2C1 69563407 JJTCXXFECLLVOJ-MRXNPFEDSA-N 347.434 1.973 0 40 EDAB C[C@H]1CN(C[C@H](O)c2ccccc2)CCN1c1ccc2nncn2n1 69592330 AKOJKLRCQNCBQN-HOCLYGCPSA-N 338.415 1.368 0 40 EDAB COc1ccccc1CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 69532876 LQBALSMBVIHACJ-MRXNPFEDSA-N 347.459 1.297 0 40 EDAB C[C@@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)CCN1Cc1nccn1C 69510566 LELLYVMTTGVUBD-DYVFJYSZSA-N 345.422 1.292 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CN[C@H](C)Cn2cc(C)cn2)c1 69527604 JMUIKYHUUHAJNC-CYBMUJFWSA-N 329.383 1.793 0 40 EDAB CCCN(CC(=O)N1CCN(c2ncccn2)CC1)CC(F)(F)F 69869884 JWHULESKFWKJMS-UHFFFAOYSA-N 345.369 1.400 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)c(F)cc1F 69869530 MTAPPZXZLDMLFS-PELKAZGASA-N 349.355 1.597 0 40 EDAB CN(Cc1nnc(-c2ccccc2)o1)CC1CCN(CCO)CC1 69949178 UYNFWUNXALGBQD-UHFFFAOYSA-N 330.432 1.873 0 40 EDAB COC(=O)C[C@@H](NC(=O)CNC(=O)c1cccs1)c1ccccc1 14015875 XOLOFGMAWKOCAR-CYBMUJFWSA-N 346.408 1.899 0 40 EDAB COc1cccc2c1OC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1)C2 65623034 ACUCUXWPHYIWKA-CQSZACIVSA-N 344.342 1.893 0 40 EDAB CCOC(=O)C1CCN(C(=O)CCC(=O)NCc2ccccc2)CC1 4696033 SONVRVUYDYIDTO-UHFFFAOYSA-N 346.427 1.885 0 40 EDAB COC(=O)CN(Cc1ccccc1C)C(=O)CCN1C(=O)CCC1=O 66292086 RHASHOXRZKYGMZ-UHFFFAOYSA-N 346.383 1.036 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)c2cnn(-c3ccccc3)c2)C1 67815138 NMCXLOQLUBQPKA-CQSZACIVSA-N 348.428 1.026 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060063 CKPLKCOWWWGWOQ-LLVKDONJSA-N 326.360 1.479 0 40 EDAB Cc1ccsc1-c1nnc(NC(=O)CCNC(=O)[C@H]2C[C@@H]2C)[nH]1 69388443 JOOWBJBLAJCJSE-UWVGGRQHSA-N 333.417 1.942 0 40 EDAB Cc1nsc(N2CCCN(c3ccc4nnc(C)n4n3)CC2)n1 78557895 QDDRTVBAKVBHQC-UHFFFAOYSA-N 330.421 1.309 0 40 EDAB C/C(=C\C(=O)NS(=O)(=O)c1cnn(C)c1)c1ccccc1Cl 96297228 NUNYATAWCSQRPN-JXMROGBWSA-N 339.804 1.982 0 40 EDAB O=C(CNc1cc(F)c(F)cc1F)NC[C@@H]1CCS(=O)(=O)C1 97080263 HJURPRTXDAVHBT-QMMMGPOBSA-N 336.335 1.067 0 40 EDAB Cc1nccc(CNS(=O)(=O)N2CCC[C@H]2c2ccc(C)o2)n1 78880054 MPAOTHDQAGRMPJ-AWEZNQCLSA-N 336.417 1.858 0 40 EDAB O[C@H](COCc1cccs1)CN1CCCC[C@@H]1Cn1cncn1 71877017 DTIRHOGQVQEZNC-CABCVRRESA-N 336.461 1.772 0 40 EDAB C[C@H](NCC1CCN(CCO)CC1)C(=O)NC1CCCCCC1 71870942 QGHALACMAIXJLY-HNNXBMFYSA-N 325.497 1.508 0 40 EDAB Cc1nccn1CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 71883244 KUYMBXGEHVZTOV-CQSZACIVSA-N 344.390 1.890 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCC(=O)N4)C2)no1 72232326 NOXBPEQKCHXKGD-LBPRGKRZSA-N 342.355 1.729 0 40 EDAB C[C@H](NCc1nnc2n1CCCC2)C(=O)NCCc1ccc(F)cc1 72299687 BLLUBWHIWRQOSW-ZDUSSCGKSA-N 345.422 1.591 0 40 EDAB Cc1nc(CNC(=O)N2CCO[C@H](CCc3ccccc3)C2)no1 97110123 GPGJMXYODNXHMC-OAHLLOKOSA-N 330.388 1.921 0 40 EDAB C[C@H](OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)c1cnccn1 72310635 QMIGMUPRLWPDRO-MNOVXSKESA-N 332.360 1.334 0 40 EDAB O=C(N[C@@H](CCO)c1ccccc1)[C@@H]1CCCN(C(=O)C2CC2)C1 84522408 ZGZPHIZMRSFMMD-SJORKVTESA-N 330.428 1.875 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H]1c1cccn1C 72832181 CUWNLYVFEAZGEH-CQSZACIVSA-N 327.450 1.360 0 40 EDAB Cc1nn(C)c(C)c1C(=O)N1CCOC[C@H]1CC(=O)c1ccco1 95418247 YQVLUBAYENNBKA-CYBMUJFWSA-N 331.372 1.744 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCN(c2ccc3nccn3n2)CC1 95431642 HSWGFGVPSBVKIA-UHFFFAOYSA-N 339.374 1.760 0 40 EDAB CC(C)c1cc(N2CCC[C@@H](N3CCNC3=O)C2)nc(N(C)C)n1 95402809 SZMMDCGBXSPZLO-CYBMUJFWSA-N 332.452 1.660 0 40 EDAB Cc1c(CCNC(=O)NC[C@@](C)(O)c2ccc(F)cc2)cnn1C 95442773 ZTUVZHAUKVYNIM-QGZVFWFLSA-N 334.395 1.617 0 40 EDAB Cc1cc(NC(=O)NCCc2ccnn2C)ccc1-n1cnnn1 95941161 FEWNHJRIGUPGEG-UHFFFAOYSA-N 326.364 1.068 0 40 EDAB Cc1cc(=O)[nH]c(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)n1 95966477 OELOVMDEZLGRDR-UHFFFAOYSA-N 326.400 1.603 0 40 EDAB C[C@H](NCC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 95984258 MNEPQPNKIXEQNZ-WDEREUQCSA-N 346.399 1.166 0 40 EDAB CN1CCO[C@@H](CN(C(=O)CCCn2cccn2)c2nccs2)C1 89385644 FYNVRWHNRCPIQC-CQSZACIVSA-N 349.460 1.484 0 40 EDAB CN(C)c1cc(CNC(=O)N(CCO)C2CC2)c2ccccc2n1 74928286 VAWVACPYSWUJDA-UHFFFAOYSA-N 328.416 1.967 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cn1 75124108 USBSXOCCZLBGQK-ZJUUUORDSA-N 326.278 1.869 0 40 EDAB Cc1cc(C)c(CNC(=O)C2CCN(CC(F)(F)F)CC2)c(=O)[nH]1 75117716 QPACQANXNOMGRV-UHFFFAOYSA-N 345.365 1.882 0 40 EDAB Cc1ccc(N2CCCN(C(=O)COc3cc(C)on3)CC2)nn1 89652344 YRNVTGQDXYDNJA-UHFFFAOYSA-N 331.376 1.199 0 40 EDAB O=C(COCC(=O)N[C@H]1CCCc2occc21)NCc1cccnc1 89794024 XBIIEANZNWDMLK-HNNXBMFYSA-N 343.383 1.501 0 40 EDAB COc1ccccc1CN1Cc2ncnn2C[C@@H](C(=O)N(C)C)C1 306136827 QENNQJFYGVFCHS-AWEZNQCLSA-N 329.404 1.007 0 40 EDAB Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cnns1 548349581 CWUIBAQHTUXTOK-QWRGUYRKSA-N 325.369 1.177 0 40 EDAB CNS(=O)(=O)c1ccc(N2C[C@@H](COC)OC(C)(C)C2)c(F)c1 515358661 NCXKUIYQMANOOK-NSHDSACASA-N 346.424 1.364 0 40 EDAB O=C(Nc1n[nH]c(C2CC2)n1)C1CCN(c2ccc(Cl)nn2)CC1 524732879 WJNBHOODDIPLBX-UHFFFAOYSA-N 347.810 1.981 0 40 EDAB CN1CCC[C@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 78572262 MFHGRXQUANWJDI-CYBMUJFWSA-N 340.445 1.468 0 40 EDAB CC(=O)N1CCC[C@H]1c1cnc(CCC(=O)NC2CCOCC2)cn1 72366863 KHJKMEVYSIGUBK-KRWDZBQOSA-N 346.431 1.388 0 40 EDAB CC1(C)OC(=O)c2c1ccnc2N[C@@H]1CCCN(S(C)(=O)=O)C1 79002400 NNHUBCCWUNAIQX-SNVBAGLBSA-N 339.417 1.323 0 40 EDAB CS(=O)(=O)[C@H]1[C@H](C(N)=S)[C@@H]1c1ccc(Br)cc1 218198932 ZPJOFTHBLNKGLK-IVZWLZJFSA-N 334.260 1.862 0 40 EDAB COc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)cc1C(=O)N(C)C 79482566 ZVWVSIHKBJFOFV-CHWSQXEVSA-N 334.372 1.692 0 40 EDAB O=C(Nc1cnn(Cc2ccccc2F)c1)c1nc2ncccn2n1 36618728 CCOIFESFUJGWGB-UHFFFAOYSA-N 337.318 1.761 0 40 EDAB CCOCCC(=O)NCC1(NC(=O)c2ccc3n[nH]cc3c2)CCC1 1062696236 RBCULVWZGJJLJC-UHFFFAOYSA-N 344.415 1.758 0 40 EDAB CCNC(=O)NC(=O)CNC1(c2ccc(Cl)cc2)CCOCC1 78665146 YEIUNQAHBWPNMH-UHFFFAOYSA-N 339.823 1.781 0 40 EDAB CC(=O)N1CC[C@@H](CNC(=O)c2ccccc2N2CCOCC2)C1 521447421 YHEMXFITOKURFY-HNNXBMFYSA-N 331.416 1.121 0 40 EDAB Cn1nc(C(=O)NCCCO[C@@H]2CCCc3ccccc32)ccc1=O 70874160 AIMWIMOWTANNFG-QGZVFWFLSA-N 341.411 1.994 0 40 EDAB CCOC(=O)c1cc(C)nn(CC(=O)Nc2ccc(C)cc2)c1=O 225962159 XYRORWNCLPDVHN-UHFFFAOYSA-N 329.356 1.676 0 40 EDAB Cc1ccc([C@@H]2CN(c3nc(C)c(S(N)(=O)=O)s3)CCO2)o1 225778183 JRJCANJSYAPYJU-NSHDSACASA-N 343.430 1.578 0 40 EDAB C[C@H](O)CN(C)C(=O)Cc1ccc(I)cc1 190999549 QKGVEKXRLCPBJE-VIFPVBQESA-N 333.169 1.673 0 40 EDAB CCN1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1 46465647 UDAMINRKZKQWJO-UHFFFAOYSA-N 345.852 1.026 0 40 EDAB O=C(NCc1ccccc1)c1nnc2ccc(N3CCOCC3)cc2n1 46088371 DTQJKHQPLMLNBU-UHFFFAOYSA-N 349.394 1.791 0 40 EDAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cn(C)nc1OC 225710055 CDZLEPIJSJNGPF-GOSISDBHSA-N 345.399 1.391 0 40 EDAB Cc1ccc(-n2[nH]c(C(=O)N3CCN(C)C[C@@H]3C(C)C)cc2=O)cc1 81433064 NJYRNEPLAASQQL-QGZVFWFLSA-N 342.443 1.886 0 40 EDAB CCn1cc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cn1 81766143 RCBBMNOPRSFRPQ-UHFFFAOYSA-N 331.420 1.864 0 40 EDAB Cn1nc(N2CCC(C(=O)NCc3cccs3)CC2)ccc1=O 85470908 KGIQHSPVRCHIIW-UHFFFAOYSA-N 332.429 1.375 0 40 EDAB CCN1CCOC[C@H]1C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C 330640338 BGNWAUFGXUBJQK-ZFWWWQNUSA-N 336.432 1.910 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccsc3)C[C@@H]12)N1CCCO1 96057304 OWSPATJGVPYHHJ-OAGGEKHMSA-N 336.457 1.997 0 40 EDAB CC(=O)c1cn(Cc2cc(-c3ccccc3)on2)c(=O)n(C)c1=O 96472049 DKXHOANTQWZDIO-UHFFFAOYSA-N 325.324 1.453 0 40 EDAB Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)nn1 96040790 VITZPAXNERHTGB-KFWWJZLASA-N 332.404 1.038 0 40 EDAB COCC(=O)N[C@H]1COCCC12CCN(Cc1ccc(C)o1)CC2 96219136 HPAZKEOHBKDXTQ-INIZCTEOSA-N 336.432 1.722 0 40 EDAB Cn1nccc1C(=O)NCCC(=O)Nc1nc2ccccc2s1 96192392 RDDCPFCNZNWXMA-UHFFFAOYSA-N 329.385 1.788 0 40 EDAB O=C(c1ccncn1)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 97953745 SFDJECDYDGIPLA-HRCADAONSA-N 326.356 1.323 0 40 EDAB CSc1ccc([C@H](O)CNS(=O)(=O)c2cn(C)cn2)cc1 96103229 WLNOKSSZEKJCPC-GFCCVEGCSA-N 327.431 1.154 0 40 EDAB COc1ccc(CC(=O)N2CCO[C@H]3[C@@H](OC)CC[C@@H]32)c(OC)c1 96041966 HRLMLLVNQBUNOZ-RLFYNMQTSA-N 335.400 1.651 0 40 EDAB CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)CC1 96111917 GQGQKWBUQVFQRW-RDJZCZTQSA-N 343.427 1.496 0 40 EDAB biogenic,in-vitro Cn1cc(N2CC[C@@]3(CCCN(C(=O)c4cccnc4)C3)C2=O)cn1 96224649 LDXRKSKSYZNLJW-GOSISDBHSA-N 339.399 1.474 0 40 EDAB Cc1nnc(Cn2nnc([C@H](NC(=O)c3ccccc3)C3CC3)n2)o1 96410931 MSRCTEDZRMJYRQ-CQSZACIVSA-N 339.359 1.294 0 40 EDAB Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3S(C)(=O)=O)n1 96041778 ZYNDJPUEVVGTGX-RRFJBIMHSA-N 326.418 1.098 0 40 EDAB COc1ccc(CNC(=O)[C@@H]2C[C@H](OC)CN2)cc1Br 583617589 GACDFBPYBLOUAO-JQWIXIFHSA-N 343.221 1.451 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccnnc2)cc1 583616118 LRPOGVXDUDYWGN-FUHWJXTLSA-N 327.384 1.998 0 40 EDAB CN(C)C(=O)[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21 248016068 QFXIKUDRDQCCHX-AWEZNQCLSA-N 328.372 1.257 0 40 EDAB CCn1nccc1/C=C/C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C 245289670 DJFCRFFWDDSKIX-OVRIQBMJSA-N 346.475 1.922 0 40 EDAB CN(C)c1cc([C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)ccn1 257338466 YXMVTWWWANQANI-ZDUSSCGKSA-N 327.388 1.251 0 40 EDAB CCn1cc(C(=O)N2CCN(C(C)=O)[C@@H](c3ccccc3)C2)cn1 257279842 OIKGETPVNMMKOG-QGZVFWFLSA-N 326.400 1.949 0 40 EDAB CCCC[C@H](NC(=O)c1cc(Cl)cn1C)[C@@H](O)C(=O)NC1CC1 585079788 PGWCGKXKSBKBLY-GXTWGEPZSA-N 341.839 1.607 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)NCCc2ccc(F)cc2)C1 41648088 JIEPBQKWPAUOEN-AWEZNQCLSA-N 343.424 1.091 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)Cc1ccccc1F 257238653 HLYCLWIIOAJPNN-SFHVURJKSA-N 342.374 1.422 0 40 EDAB COC(=O)[C@H](C)NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 585114080 HLJJXSAUFWTOAO-NWDGAFQWSA-N 340.420 1.844 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1[C@@H](C)CC(=O)C[C@@H]1C1CC1 585114707 UITFJNDSYRPPMK-LKFCYVNXSA-N 325.434 1.558 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)cs1 257247416 IYYNPAVRWUARRL-OAHLLOKOSA-N 346.456 1.831 0 40 EDAB Cc1cncc(C(=O)N2CCOC[C@H]2CCc2nccnc2C)c1 257326786 WYOLGEXKTJNPRP-MRXNPFEDSA-N 326.400 1.962 0 40 EDAB Cc1nccc([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257239723 HQMXFHRYXVBBRQ-MRXNPFEDSA-N 331.347 1.903 0 40 EDAB CN(C)c1cccc([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 257243891 IJAIUDROUOMKNA-HNNXBMFYSA-N 339.461 1.793 0 40 EDAB Cc1ccc(CN2CC[C@H](O)[C@@H](n3ccc(O)nc3=O)CC2)s1 257203434 AQAIHOBSAZGFJT-KBPBESRZSA-N 335.429 1.517 0 40 EDAB COCCN1C(=O)CO[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]21 257314654 UXXRKHOCVYVHDB-KBPBESRZSA-N 338.791 1.038 0 40 EDAB CN(C)Cc1ccc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)cn1 1615621910 ANLVOBLCWIAESU-CQSZACIVSA-N 331.338 1.673 0 40 EDAB C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCCc2ccccc2C1 592818654 GRENIVRHUWNRFA-YOEHRIQHSA-N 329.444 1.547 0 40 EDAB Cn1nnc2c1C[C@@H](C(=O)N[C@@H]1COc3ccc(F)cc3C1)CC2 290638314 MRJQQIZSNQPXBZ-GWCFXTLKSA-N 330.363 1.179 0 40 EDAB O=S1(=O)CC[C@H](CNC(=S)Nc2ccc3ncccc3c2)C1 575423557 GKGWFNIPISTMGS-LLVKDONJSA-N 335.454 1.956 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21 575404985 QSIHCKQYVGNWFR-KRWDZBQOSA-N 349.394 1.840 0 40 EDAB O=C(CSc1c[nH]c2ccccc12)N1C[C@H]2C[C@H]1CS2(=O)=O 575607666 OLIDTNJCPQPNQG-WDEREUQCSA-N 336.438 1.658 0 40 EDAB CCn1cc(CN2CCO[C@](CO)(Cc3cccc(F)c3)C2)cn1 585276837 RMGLHPYZPMBDER-GOSISDBHSA-N 333.407 1.848 0 40 EDAB Cc1noc(C)c1CN1Cc2ccnn2CC[C@@H]1CN1CCOCC1 585096824 DBOPVPDFYNCSOE-MRXNPFEDSA-N 345.447 1.595 0 40 EDAB Cc1ccccc1C(=O)N1CC[C@H]2C[C@@H](C(=O)NC3CC3)O[C@H]2C1 585108581 HRROYAPSGMXRFQ-JQFCIGGWSA-N 328.412 1.893 0 40 EDAB COc1ncc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2)cn1 585277518 WBGKOPYQSLMKAI-HOTGVXAUSA-N 327.384 1.693 0 40 EDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1ccc2c(c1)CCC2 585277563 IQDCEZSAEFWERV-LJQANCHMSA-N 330.428 1.933 0 40 EDAB CNC(=O)[C@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1 58407071 DDESPRZARBSGCQ-MRXNPFEDSA-N 335.367 1.484 0 40 EDAB CN(CCCOc1ccc(F)cc1)Cc1nc2c(cnn2C)c(=O)[nH]1 54418255 DHWTUOVVTRPTJW-UHFFFAOYSA-N 345.378 1.697 0 40 EDAB COc1ccc(NC(=O)c2ccnc(-n3cncn3)c2)cc1OC 54673165 HKYPGABVSLDLTP-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB C[C@@H](NCC1(c2c(F)cccc2F)CCCC1)C(=O)NC(N)=O 58209503 WHAGBJNDOJWNQS-SNVBAGLBSA-N 325.359 1.950 0 40 EDAB O[C@H]1[C@H](NCC2CCCC2)[C@H]2CO[C@H](O2)[C@@H]1n1cc(Cl)cn1 952844710 GOIBZOVOWXBGCI-ARILJUKYSA-N 327.812 1.342 0 40 EDAB biogenic,in-vitro CN(C(=O)CCc1ccccc1O)[C@H]1CCC[C@@H]1S(C)(=O)=O 75092640 UFXVCWBMZLMGBX-ZFWWWQNUSA-N 325.430 1.749 0 40 EDAB Cc1ccc(=O)n(CC2(O)CCN(Cc3ccccc3F)CC2)n1 19131372 LHVTZWOFYFGTGG-UHFFFAOYSA-N 331.391 1.718 0 40 EDAB O=C(COC(=O)c1c[nH]c2ccccc12)NC(=O)NCc1ccco1 5090659 AZNPDTLRVLNXAJ-UHFFFAOYSA-N 341.323 1.944 0 40 EDAB Cc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(O)c1 12999972 SBUMBAAUXFZZAW-UHFFFAOYSA-N 341.323 1.666 0 40 EDAB CCS(=O)(=O)N1CCc2cc(C(=O)NCCCOC)ccc21 13610125 YLZKCOPOCRYDRY-UHFFFAOYSA-N 326.418 1.165 0 40 EDAB Cc1c(CNc2ccc(Br)cn2)c(O)nn2cnnc12 19118983 IFLZSLBHGVOKIH-UHFFFAOYSA-N 335.165 1.908 0 40 EDAB Cc1cc(S(=O)(=O)NCCNCc2cccn2C)c(C)s1 158366050 RXJXHNQVWGBQPI-UHFFFAOYSA-N 327.475 1.772 0 40 EDAB CNC(=O)CN1CCOC[C@@H](Cc2ccc3c(ccn3C(C)=O)c2)C1 607854597 LOBHTVMXNIVUKB-INIZCTEOSA-N 343.427 1.538 0 40 EDAB COc1ccc(OC)c(NC(=O)C[C@H](C(=O)O)N2CCCCC2)c1 5258357 UOYAUQCVAXKTEM-CQSZACIVSA-N 336.388 1.972 0 40 EDAB CC(=O)N1CC2(CCN(Cc3cnn(C)c3)CC2)C[C@@H](O)C1(C)C 643913800 HQFUYYREADKJPU-MRXNPFEDSA-N 334.464 1.394 0 40 EDAB CN(CCC(=O)O)C(=O)c1ccc(CNC(=O)[C@@H]2CCCO2)cc1 33520402 TZDYQFWCLSUGEO-AWEZNQCLSA-N 334.372 1.029 0 40 EDAB O=C([C@H]1CN(c2ncnc3ccccc23)CCO1)N1CCCCC1 1888847497 LABPHLUOROUYLE-MRXNPFEDSA-N 326.400 1.848 0 40 EDAB O=C1CN(C2CCN(c3ccncn3)CC2)C(=O)N1c1ccccc1 1888866329 ACKLYFGTLGFSJE-UHFFFAOYSA-N 337.383 1.914 0 40 EDAB CS(=O)(=O)c1cccc2sc(N3CCC[C@H](CO)C3)nc12 1889096849 UDKGAUPBWNDNSQ-JTQLQIEISA-N 326.443 1.909 0 40 EDAB Cc1nc(C)c(CN2CCC[C@@H](NS(=O)(=O)C3CC3)C2)s1 1889108572 TXILATYTSWUCOC-GFCCVEGCSA-N 329.491 1.806 0 40 EDAB C[C@@H](C(=O)NC1CCCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 15302867 HFBVWJDKTVUQKR-HOCLYGCPSA-N 337.464 1.147 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)NCc1ccccc1OC(F)(F)F 29326933 KFQMMMUXWQVAKS-SECBINFHSA-N 333.310 1.909 0 40 EDAB O=C(CNC(=O)OCc1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 240067970 SFRLWTOKNSWFCM-PMPSAXMXSA-N 348.399 1.366 0 40 EDAB CC(C)N1C[C@@]2(COCC1=O)CN(Cc1ccccc1F)CCO2 2037981072 SYMFWIVNRBYANA-GOSISDBHSA-N 336.407 1.664 0 40 EDAB OC[C@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 227268 NKUOWQPBYUKRIM-GWCFXTLKSA-N 330.171 1.846 0 40 EDAB CCCNC(=O)C(=O)Nc1cc(C)nn1-c1nc(O)cc(C(C)C)n1 9038339 MGOYDXIVBQDZDA-UHFFFAOYSA-N 346.391 1.264 0 40 EDAB CC(C)c1noc(CN2CCN(c3cc(N(C)C)ncn3)CC2)n1 2086884767 WOKMGCOKPCQCRS-UHFFFAOYSA-N 331.424 1.371 0 40 EDAB O=C(c1cnccn1)N1CC(n2cc(COc3ccccc3)nn2)C1 225276454 MKKGYBGQQXOSTA-UHFFFAOYSA-N 336.355 1.344 0 40 EDAB COc1ccc(CCC(=O)NCCn2nc(C3CC3)ccc2=O)cc1 575618576 DLQVAMNLDRCZCO-UHFFFAOYSA-N 341.411 1.878 0 40 EDAB CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 103551896 QXFCTOBKVYIMJD-RYUDHWBXSA-N 336.413 1.086 0 40 EDAB COc1ncccc1CNC(=O)c1cccc(CS(C)(=O)=O)c1 31320572 KBPUUBZJIOMFDO-UHFFFAOYSA-N 334.397 1.565 0 40 EDAB CNC(=O)[C@H]1CN(CC(=O)N[C@@H](C)c2ccco2)c2ccccc2O1 40466338 RMNMBNGFFZOFSU-BLLLJJGKSA-N 343.383 1.470 0 40 EDAB COc1ccc(S(=O)(=O)NCCCN2CCCCCC2=O)cc1 40485749 NPVXXXRUWUCHES-UHFFFAOYSA-N 340.445 1.766 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)CN2CCc3ccccc32)C1 51183554 MFTSXKVEYOCBSY-OAHLLOKOSA-N 325.416 1.584 0 40 EDAB CC(=O)C1=NO[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 100915459 LSYOTFNXUBUFFG-MWLCHTKSSA-N 326.230 1.539 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)n1 69349681 JMKOWSCVHFYNAP-QGZVFWFLSA-N 346.431 1.452 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)Nc3nnc4ccccn34)cc12 69324104 MELRYVUUYNMWDJ-UHFFFAOYSA-N 343.372 1.120 0 40 EDAB CONC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 11740160 OGAHVZODWSAIBJ-UHFFFAOYSA-N 327.134 1.113 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)CC[C@H]2CCCO2)cc1 46359297 WVMQQDCXNZOACH-CYBMUJFWSA-N 326.418 1.170 0 40 EDAB CC(C)CNC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 32489607 FZTQVNXRYZVJGX-UHFFFAOYSA-N 347.459 1.348 0 40 EDAB COC(=O)c1oc(CN2CCC(CN3CCOCC3)CC2)cc1C 51959216 DCSAFQDWTGRIEM-UHFFFAOYSA-N 336.432 1.919 0 40 EDAB CC1(C)[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H]1C=C(Cl)Cl 4069819 ISFABLIRQRFFGX-KHQFGBGNSA-N 326.245 1.881 0 40 EDAB CCn1c(C)nnc1S[C@H](C)C(=O)Nc1sccc1C(N)=O 102207059 CCMMBZLASLVBPP-SSDOTTSWSA-N 339.446 1.886 0 40 EDAB C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccco1 32836848 SMYYJDAKIBWLJL-LBPRGKRZSA-N 336.413 1.862 0 40 EDAB COCCCn1nnnc1SCC(=O)Nc1cccc(F)c1 4883430 KBNQCGRTAHXXAY-UHFFFAOYSA-N 325.369 1.580 0 40 EDAB CCNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 6954066 WZKYPTMPXJEXMB-UHFFFAOYSA-N 348.852 1.789 0 40 EDAB Cc1ccc(OCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 69444360 RJTIPIIKPZJLOY-QGZVFWFLSA-N 345.443 1.315 0 40 EDAB O=C(NCC(=O)N1CCc2sccc2C1)c1ccc2[nH]cnc2c1 69445084 ZMXXOMIORWLNMP-UHFFFAOYSA-N 340.408 1.939 0 40 EDAB C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1F 21708436 OMNNIFHLNMFONQ-NSHDSACASA-N 326.331 1.808 0 40 EDAB NC(=O)[C@H]1CN(S(=O)(=O)c2cc(F)ccc2F)c2ccccc21 69705154 MQOMNVCPBYRJHD-NSHDSACASA-N 338.335 1.743 0 40 EDAB NC(=O)COc1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)cc1 69740177 RLPFHDVPAFDYGM-OAHLLOKOSA-N 341.415 1.099 0 40 EDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 52781805 YRBBDKBIVRYUMA-LBPRGKRZSA-N 329.422 1.001 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 2708373 BEODLPKIKCSUJF-CQSZACIVSA-N 346.364 1.054 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)N2CCc3ccccc3C2)cc1 9690390 GSNOEDBFFJHRLG-UHFFFAOYSA-N 331.397 1.924 0 40 EDAB CN1CC(=O)N(CC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)C1=O 53358082 GNALXUADXSYMNV-CYBMUJFWSA-N 341.371 1.120 0 40 EDAB COc1ccc(CCNC(=O)Cc2nc3ccsc3c(=O)[nH]2)cc1 53847949 JBDSWXBGUGBTMY-UHFFFAOYSA-N 343.408 1.895 0 40 EDAB CCc1nnsc1C(=O)N1CCC(c2nnc3n2CCC3)CC1 47231562 HXHCKPKEQNCCAV-UHFFFAOYSA-N 332.433 1.658 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2ccco2)CC1 54481302 VCCUZCYSLSEZGR-UHFFFAOYSA-N 330.432 1.907 0 40 EDAB Cc1ccc(=O)n(CC2(O)C[C@H]3CCC[C@H](C2)N3C(=O)C(C)C)n1 100146941 UYKQUHGIKYKIME-HUUCEWRRSA-N 333.432 1.482 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccccc2O)CC1)c1cccs1 24748293 SMNZJLAOBMNZSQ-UHFFFAOYSA-N 345.424 1.532 0 40 EDAB NC(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1F 111753999 OJARKNXNXDVKMW-UHFFFAOYSA-N 343.362 1.674 0 40 EDAB Cc1cc(CN2CCN(Cc3nnnn3-c3ccccc3)CC2)no1 24976685 SRGXWLWLTUVUSL-UHFFFAOYSA-N 339.403 1.277 0 40 EDAB Cc1cc(CN(C)C(=O)CN2C(=O)CCOc3ccccc32)no1 25136917 NBBVJABDRYVDMT-UHFFFAOYSA-N 329.356 1.757 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 103061704 GJOVOJZCQJFPIG-GASCZTMLSA-N 348.424 1.388 0 40 EDAB COc1ccc(F)cc1C(=O)NCc1ccnc(N2CCOCC2)c1 25291329 VBTKARSXNRVUQC-UHFFFAOYSA-N 345.374 1.996 0 40 EDAB Cc1cc2ncc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)c(C)n2n1 25387175 VDFUCCDPDAPUSU-UHFFFAOYSA-N 337.339 1.929 0 40 EDAB CCc1nc(CN2CCN(C(=O)Cn3ccccc3=O)CC2)cs1 56463566 KKYPHVMXMOROPE-UHFFFAOYSA-N 346.456 1.212 0 40 EDAB Cn1nccc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 108534930 PNAMMCLSYFLJBK-SJLPKXTDSA-N 332.448 1.271 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)CN2CCc3ccccc3C2)C1=O 58137524 JNOJPYYRWLTBEB-IRXDYDNUSA-N 345.443 1.372 0 40 EDAB CCS[C@@H]1CC[C@H](NC(=O)N[C@@H](C)CN2CCN(C)CC2)C1 76088854 FSCBUJJYGJGELN-SOUVJXGZSA-N 328.526 1.596 0 40 EDAB C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1nnc2n1CCC2 44934625 FFXDSGYZXPYYPT-JTQLQIEISA-N 332.408 1.715 0 40 EDAB COc1cc(F)c(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1OC 44917569 YJDVHBKSWMHLJS-SNVBAGLBSA-N 343.380 1.406 0 40 EDAB CN1CCN(C2(CNC(=O)NCc3cc[nH]n3)CCCCCC2)CC1 44970706 SYQKTIJWLKMNFD-UHFFFAOYSA-N 348.495 1.549 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CN1CCN(C(=O)C2CC2)CC1 58393071 ADFDNIQSMQODLP-QGZVFWFLSA-N 332.444 1.597 0 40 EDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCO)nn12)C[C@H](C)CC3 2241667 MULRVXBYVXOXLD-MRVPVSSYSA-N 345.428 1.494 0 40 EDAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccccn1 28200246 HGVQMULHUJGTQO-NSHDSACASA-N 337.376 1.204 0 40 EDAB CC(C)N(CC(N)=O)CC(=O)NCc1ccccc1OC(F)(F)F 11472474 RZASHWLFDBAZSM-UHFFFAOYSA-N 347.337 1.397 0 40 EDAB Cc1cc2ncn(C[C@H](O)CN[C@@H](C)CN3CCCC3=O)c2cc1C 48345990 LKTLMRWYDCGHKR-JKSUJKDBSA-N 344.459 1.615 0 40 EDAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(N)=O)cc1 3440395 MRKMZTWUECDGMZ-UHFFFAOYSA-N 348.380 1.154 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N[C@H]1CCCc2ccccc21 3579169 OLXIJKVPWNPBOQ-INIZCTEOSA-N 334.379 1.985 0 40 EDAB aggregator C[C@@H](CNC(=O)CCCn1cncn1)N1CCc2ccccc2C1 69532313 GZCZGLFRKPQNNZ-HNNXBMFYSA-N 327.432 1.621 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)c1 69520673 GFZICFLWIIBLIA-INIZCTEOSA-N 329.400 1.864 0 40 EDAB COc1ccc(CNC(=O)CN2CCC[C@@H](Cn3cncn3)C2)cc1 69630585 MLLNNHPXUOQDJW-MRXNPFEDSA-N 343.431 1.315 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 69656224 SAPXALLRWVLDKR-CVEARBPZSA-N 336.457 1.789 0 40 EDAB Cc1c(O)ccc2c(CC(=O)N3CCC(C(=O)O)CC3)cc(=O)oc12 4083629 YMSKIMHQLFLCCB-UHFFFAOYSA-N 345.351 1.673 0 40 EDAB biogenic Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@H]3CCCNC3=O)c12 64098632 DDEONMHYOZBTKF-NSHDSACASA-N 340.339 1.800 0 40 EDAB O=S1(=O)CC[C@H](NCc2cccc(OCCn3ccnc3)c2)C1 69809321 LLSMZDUUYIJZFQ-HNNXBMFYSA-N 335.429 1.239 0 40 EDAB Cc1nn(C)c(Cl)c1CN1CCN(c2ccc3nncn3n2)CC1 69892656 CNXNMRRGYFKKEQ-UHFFFAOYSA-N 346.826 1.142 0 40 EDAB Cc1ccc(CN(C)C(=O)CN[C@@H]2CCCN(c3cccnn3)C2)o1 69872367 FXULQTPZASLGQK-OAHLLOKOSA-N 343.431 1.595 0 40 EDAB O=C(CNC(=O)CN1CCCCCCC1=O)NCc1ccccc1 49743605 WJYZSTIMCNAMOW-UHFFFAOYSA-N 331.416 1.212 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)c1 6237082 SHAKSZPPVWREPM-UHFFFAOYSA-N 336.457 1.936 0 40 EDAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 5292187 VKLSXINGBZUPLJ-WCFLWFBJSA-N 342.351 1.694 0 40 EDAB CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408591041 HZOMXZGIJLCFCC-MRXNPFEDSA-N 332.425 1.712 0 40 EDAB Cn1ncc2c(=O)[nH]c(CN(Cc3ccco3)C[C@H]3CCCO3)nc21 65414059 MPWGMZZDJNLAHF-CYBMUJFWSA-N 343.387 1.431 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NCCc1ccc2c(c1)OCCO2 65401467 QKQVQFNHOWKURH-CYBMUJFWSA-N 330.388 1.585 0 40 EDAB Cc1cccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCCC2)c1 65531813 XMNQWDUJXLCGCI-CQSZACIVSA-N 340.470 1.681 0 40 EDAB COc1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1OC 14190298 JGXMCUNKGXYHMX-UHFFFAOYSA-N 339.417 1.864 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1C 4505203 NIUARAMLRRVJSI-AWEZNQCLSA-N 331.459 1.501 0 40 EDAB O=C(Cc1ccccc1F)N1CCN(C(=O)c2csnn2)CC1 65605573 ZKOMOTMKCQGDBZ-UHFFFAOYSA-N 334.376 1.204 0 40 EDAB CCN(C)c1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 65624587 RTLHPKCQUQYUEA-UHFFFAOYSA-N 339.461 1.297 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 15302830 OHZVFRKVQPOXHX-DOTOQJQBSA-N 345.443 1.015 0 40 EDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccccc1-n1cccn1)CC2 67821771 BYZVBTBAHVPNPJ-UHFFFAOYSA-N 349.394 1.505 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(C)CC2)cc2c1NC(=O)C2(C)C 71196007 KDYKXCLPRWPNKQ-UHFFFAOYSA-N 337.445 1.161 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N1CCn3c(C)nnc3C1)C2 71185517 FIRWJWHUELQGRK-CYBMUJFWSA-N 328.372 1.189 0 40 EDAB CCCNC(=O)CN1C(=O)N[C@](C)(CCc2ccc(OC)cc2)C1=O 7411395 SNQWBGNEPVNXJU-GOSISDBHSA-N 347.415 1.465 0 40 EDAB C[C@H]1C[C@@H](C)CN(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 7443415 LDBYSFKJSNFXRA-BETUJISGSA-N 336.436 1.250 0 40 EDAB Cc1nc(CN2CCN(C3CCC4(CCNCC4)CC3)CC2)no1 67947470 IKYFMUJVADOUIT-UHFFFAOYSA-N 333.480 1.808 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 16046810 KJIFDWCZSQBUKU-ZDUSSCGKSA-N 348.428 1.621 0 40 EDAB Nc1nc(N)nc(COC(=O)c2cc(F)ccc2Br)n1 7867772 WCGKTWFFMJNZPH-UHFFFAOYSA-N 342.128 1.295 0 40 EDAB COc1cccc(NC(=O)CN(C)CC(=O)NCc2ccco2)c1 7990226 BBRDADAXRFSTJR-UHFFFAOYSA-N 331.372 1.475 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nncn1C 8249620 ALTIJFGZLDAGPB-NSHDSACASA-N 334.401 1.206 0 40 EDAB C[C@@H](CNC(=O)C1=NO[C@@H](c2ccccc2)C1)N1CCN(C)CC1 70003688 QPAOXJRUKTXYLR-WMLDXEAASA-N 330.432 1.256 0 40 EDAB CCCc1sc(C(=O)NC2CCN(CC(N)=O)CC2)cc1CC 71795925 ONANMKMBSKRNRB-UHFFFAOYSA-N 337.489 1.943 0 40 EDAB NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cs1 71796543 IILASIQMLCXTQW-LLVKDONJSA-N 340.430 1.069 0 40 EDAB CCc1cc(NC(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)[nH]n1 71830820 AARKEJLZSSDQME-UHFFFAOYSA-N 338.371 1.607 0 40 EDAB COc1ccnc(N2CCN(C(=O)COc3cccc(F)c3)CC2)n1 71819921 LBGIEUPXGYBGMI-UHFFFAOYSA-N 346.362 1.352 0 40 EDAB Cc1ccc(NC(=O)CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)nc1 71893086 BZLVRMRSFSAFII-NSHDSACASA-N 344.337 1.424 0 40 EDAB O=C1CN(C(=O)NCc2csc(CCc3ccccc3)n2)CCN1 83752080 ZBDVICUNZRJPNV-UHFFFAOYSA-N 344.440 1.570 0 40 EDAB COCCOCCCCNc1cnn(C)c(=O)c1Br 71903113 UJKCLLVZXKKLAJ-UHFFFAOYSA-N 334.214 1.398 0 40 EDAB Cc1cc(I)cn(CN2CCCCC2=O)c1=O 97080635 FEKLYBUGMMCAEJ-UHFFFAOYSA-N 346.168 1.731 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)Nc1cnn(-c2ccccc2)c1 72295091 IWCGTOQBKYSWLQ-AWEZNQCLSA-N 329.404 1.715 0 40 EDAB CC(C)Cc1nc(CN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)no1 72300698 AEABMKCMQZKSMP-MEDUHNTESA-N 335.408 1.078 0 40 EDAB COc1ccc(CCNC(=O)CN2CCn3ccnc3C2)cc1OC 97201646 ZUVYWGSQXGHPJJ-UHFFFAOYSA-N 344.415 1.075 0 40 EDAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@H](O)C(F)(F)F)C1=O 97378050 XBGVSAFPWCQZSH-WFASDCNBSA-N 342.317 1.866 0 40 EDAB CCOC(=O)[C@]1(NC(=O)[C@H](C)n2cccn2)CCc2ccccc21 72696436 XNMIMXYVSMRAJU-UGSOOPFHSA-N 327.384 1.965 0 40 EDAB Cc1ccn(-c2cccc(NC(=O)N[C@H](C)Cn3cncn3)c2)n1 95395834 PFKRAYVSTRTIEY-CYBMUJFWSA-N 325.376 1.982 0 40 EDAB C[C@@H](C(=O)NCCc1nnc2ccccn12)N1Cc2ccccc2C1=O 95474917 PLGXUCZOOHWQEN-ZDUSSCGKSA-N 349.394 1.433 0 40 EDAB CN(C)C(C)(C)CNC(=O)N1CCC([C@H](O)C(F)(F)F)CC1 95424192 FBIVBZDHUBCDLP-NSHDSACASA-N 325.375 1.671 0 40 EDAB Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCOC[C@@H]1CCO 95460857 UYDBJDHKVZWJHN-INIZCTEOSA-N 349.431 1.447 0 40 EDAB C[C@H]1CC[C@@H](CCC(=O)NCCn2ncc3ccccc3c2=O)O1 95404308 ZBMYQKWKGZNHKG-ZFWWWQNUSA-N 329.400 1.860 0 40 EDAB CN1CC[C@@H](C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1=O 95950697 FPFWGXKNGJZFCI-OAHLLOKOSA-N 339.395 1.704 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC1(C)C 95961533 NYTXQWJVSKAROQ-NSHDSACASA-N 342.465 1.105 0 40 EDAB CC(=O)[C@@H]1[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCOC[C@@H]12 95946501 VOVOQXBCYGNZMA-PVXIVEMSSA-N 330.409 1.901 0 40 EDAB CCc1cc(O)nc(CN2CCN(C3=NCC(C)(C)S3)CC2)n1 95965455 ATQBPGUSJIVIIQ-UHFFFAOYSA-N 335.477 1.744 0 40 EDAB Cc1noc(C2CC2)c1NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 95942297 KSXQEPMLUZSLSQ-ZDUSSCGKSA-N 348.403 1.716 0 40 EDAB CCS(=O)(=O)CC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 89272297 DYIULBNFIBIASK-HOCLYGCPSA-N 336.457 1.564 0 40 EDAB CN1CC[C@@H](NS(=O)(=O)N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 89375093 BTEZCLCXUOHRKQ-OLZOCXBDSA-N 335.832 1.620 0 40 EDAB COc1cccc([C@H]2CCCN2CC(=O)N2CCN(C(C)=O)CC2)c1 9903126 LQHMKHHATDYFTD-GOSISDBHSA-N 345.443 1.523 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCc2c(ncn2C)C1 75133162 FPFFZOQFRMNFRW-UKRRQHHQSA-N 340.427 1.807 0 40 EDAB Cc1c(CNCc2nc(-c3ccc(C(=O)O)cc3)no2)cnn1C 67676027 PEMSZBKSXMJLLB-UHFFFAOYSA-N 327.344 1.767 0 40 EDAB Cc1cccc(NC(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)n1 547694769 ASVCZQPQIWFKSD-ZDUSSCGKSA-N 337.387 2.151 0 40 EDAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 39986807 IEVIFWWXCRJATN-UHFFFAOYSA-N 340.445 1.766 0 40 EDAB CCCNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 521402329 WBXMJKYQAUSGQP-UHFFFAOYSA-N 332.447 1.033 0 40 EDAB Cc1cc(C(=O)NC(C)(C)c2ncccn2)nn1C1CCOCC1 1552947329 FTJKEOADOGEKMK-UHFFFAOYSA-N 329.404 1.998 0 40 EDAB CNC(=O)[C@H]1CN(Cc2cnc(N(C)C)c3ccccc23)CCO1 1553068017 KEVJDLRVWGDEBF-MRXNPFEDSA-N 328.416 1.248 0 40 EDAB CN(C1CCNCC1)S(=O)(=O)c1cccc(Br)c1 36300043 JQFAWDFWZWIKMR-UHFFFAOYSA-N 333.251 1.822 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 72499696 IHERDSOKDJQSBO-UHFFFAOYSA-N 336.335 1.558 0 40 EDAB CCc1n[nH]c2c1CN(C(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1)CC2 32547759 KPKCHCHHMFWRKJ-CXAGYDPISA-N 338.411 1.387 0 40 EDAB CCN(CC)S(=O)(=O)c1cncc(Cl)c1N1CCNCC1 72210731 FBOQQRRLINTANI-UHFFFAOYSA-N 332.857 1.175 0 40 EDAB CC1(C)[C@@H](NC(=O)Cn2cn[nH]c2=O)C[C@@H]1OCc1ccccc1 189170200 HPPDKOSCMGNPBN-KBPBESRZSA-N 330.388 1.072 0 40 EDAB COc1cccc2c1OC[C@H](NC(=O)CCNCC(F)(F)F)C2 79095275 QYXQVZIXHUGCRW-LLVKDONJSA-N 332.322 1.657 0 40 EDAB Cc1cnc2n(c1=O)C[C@@H](C(=O)NCCc1ccncc1)CS2 85473771 VFOPHVHUQVYBMV-CYBMUJFWSA-N 330.413 1.028 0 40 EDAB Cc1cc2ncc(C(=O)N3CCN(c4cccnn4)CC3)c(C)n2n1 328707988 MBPTUIAPKNSTCG-UHFFFAOYSA-N 337.387 1.099 0 40 EDAB C[C@](O)(CNC(=O)c1ccc(Cl)cc1Cl)CN1CCOCC1 80928218 PYDVSXXSVYOOEB-HNNXBMFYSA-N 347.242 1.806 0 40 EDAB CN(C)S(=O)(=O)CCNC(=O)[C@H](c1ccccc1)n1cccc1 575443282 VFVVYIDLRBLFGQ-HNNXBMFYSA-N 335.429 1.085 0 40 EDAB CC(C)(C)CNC(=O)CN(CCc1ccccc1)S(C)(=O)=O 226060263 PGIJZQIEGSHXLG-UHFFFAOYSA-N 326.462 1.653 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H](Oc2cnccn2)C1 225795220 ULYBOMUTUOYCLI-CYBMUJFWSA-N 327.340 1.428 0 40 EDAB COCCn1ccc2cc(C(=O)NCCN3CCOCC3)ccc21 95476786 RSRTVHOWBXDOQO-UHFFFAOYSA-N 331.416 1.350 0 40 EDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1ccc2ccccc2n1 96245786 RDCBAVYXNOEYTQ-IAGOWNOFSA-N 339.395 1.697 0 40 EDAB CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC[C@H]1CN2CCN1CC2 96495733 MASZJQVYNDRAFD-LBPRGKRZSA-N 342.365 1.245 0 40 EDAB COCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H](CC(=O)OC)C2 96194538 KXGHHOWWEYQMQA-LBPRGKRZSA-N 329.356 1.828 0 40 EDAB CCc1ccc(NC(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)N(C)C)C2)cc1 96252819 BEHAZYQBTLKYEM-BZUAXINKSA-N 331.416 1.958 0 40 EDAB Cc1cccc(NC[C@@H]2CCN(CCCNS(C)(=O)=O)C2)n1 97200539 BMWOHFPTCJLKLL-AWEZNQCLSA-N 326.466 1.063 0 40 EDAB CCn1cc(NC(=O)C(=O)NCCCc2cccc(F)c2)ccc1=O 96413506 IIOLPFVGKQBVKQ-UHFFFAOYSA-N 345.374 1.695 0 40 EDAB CCS(=O)(=O)N(C)CC(=O)N(C)Cc1c(F)cccc1Cl 96454153 ULMVDDCAKZSLHU-UHFFFAOYSA-N 336.816 1.719 0 40 EDAB CCn1cc(C(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)c2ccccc21 583619020 VLBICLFRKGPKIG-SFHVURJKSA-N 339.399 1.903 0 40 EDAB Cc1cccn(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1=O 583621249 DQIULSKYFXSWDC-XJKSGUPXSA-N 348.349 1.769 0 40 EDAB Cc1csc(NC(=O)[C@@H]2CCC[C@@H](N(C)C)CN(C)C(=O)C2)n1 96113462 UJQRZDQAIZMORD-CHWSQXEVSA-N 338.477 1.969 0 40 EDAB biogenic,in-vitro O=C(c1ccncc1)N1CCN(c2cnnc(N3CCCC3)c2)CC1 96121058 VIJZHURVLZVUQT-UHFFFAOYSA-N 338.415 1.434 0 40 EDAB CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)CCc1ccncc1 584914876 CBRTVGXQFSPDAW-MRXNPFEDSA-N 327.384 1.700 0 40 EDAB O=C(CNC(=O)c1cc(-n2cnnn2)ccc1Cl)c1ccccc1 95473476 BCQKJMREKZCHAQ-UHFFFAOYSA-N 341.758 1.928 0 40 EDAB Cn1cc(CN2CCC3(CC2)CN(c2ncccn2)CCO3)cn1 96159017 MZVBOZMTBLHJQS-UHFFFAOYSA-N 328.420 1.082 0 40 EDAB CC[C@@H](CS(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1F)OC 585128718 LOPNGXKSJQFUIB-VIFPVBQESA-N 329.357 1.173 0 40 EDAB CNC(=O)[C@H]1CN(CCOc2ccc(Cl)cc2)Cc2ccnn21 247917361 BLKQQCOONYLRDH-OAHLLOKOSA-N 334.807 1.718 0 40 EDAB CNC(=O)[C@H]1CN(Cc2ccc(OC(C)C)cc2)CCN(C(C)=O)C1 257276432 NTSYFIDHVUEHLJ-KRWDZBQOSA-N 347.459 1.500 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCO1 257297201 RGHBJYFUQJSUOV-AWEZNQCLSA-N 342.355 1.461 0 40 EDAB O=C(COc1ccc2c(c1)CCCC2)N[C@@H]1CCCC[C@@H](O)[C@@H]1O 257257942 KRSGQOKOSORHCI-ZHALLVOQSA-N 333.428 1.725 0 40 EDAB CC(=O)N1CCN(CC(=O)N2CCCCC2)[C@@H](c2ccccc2)C1 257200929 AFJJJAVTKKSLQZ-GOSISDBHSA-N 329.444 1.904 0 40 EDAB COCC(=O)N1CC[C@@H](Cc2cnc(-c3c(C)n[nH]c3C)cn2)C1 257219555 DHFSSRAOTWKMHZ-ZDUSSCGKSA-N 329.404 1.521 0 40 EDAB COC(=O)[C@](C)(CNC(=O)N1CCN2CCC1CC2)c1ccccc1 252510314 ZGUXNTUYKVGSGW-LJQANCHMSA-N 345.443 1.607 0 40 EDAB CNCC(=O)N1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 257247722 JAEATIQKEFFKGH-ZDUSSCGKSA-N 327.392 1.283 0 40 EDAB CS(=O)(=O)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 257222245 DSNZBLHQYWIBHW-UHFFFAOYSA-N 333.417 1.754 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)Cc2c(C)n[nH]c2C)C1 257337752 YUEWMQOBTKUOSA-CQSZACIVSA-N 342.447 1.882 0 40 EDAB COc1cc(S(=O)(=O)N2CCC[C@H](CC(=O)O)C2)ccc1F 276222630 MDPAZQURWOQXLX-SNVBAGLBSA-N 331.365 1.710 0 40 EDAB Cc1noc(C)c1Cc1nc(-c2ccsc2S(N)(=O)=O)no1 1616039333 XGDXFJROTVKLCZ-UHFFFAOYSA-N 340.386 1.641 0 40 EDAB CC(C)Cc1nnc(NC(=S)N[C@]2(C)CCS(=O)(=O)C2)s1 575420369 BJBANTZLNWINPC-GFCCVEGCSA-N 348.519 1.600 0 40 EDAB CNC(=O)[C@H]1CCC[C@@H]1Nc1nc2c(c(C)nn2C)c(Cl)c1C 585142351 UBHKCGLHNAYZLV-QWRGUYRKSA-N 335.839 2.565 0 40 EDAB CCn1c(C)nc2cc(C(=O)N(C)[C@@H]3COC[C@@H](OC)[C@H]3O)ccc21 585287001 QLGHHWDSZXPOAM-ZACQAIPSSA-N 347.415 1.211 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2sccc2Br)CC1 48193379 LZRGOVMEHSBACG-UHFFFAOYSA-N 346.250 1.190 0 40 EDAB CN1CCC[C@@H]1CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 58009058 ZOORYSIAOFNCTP-OAHLLOKOSA-N 341.419 1.891 0 40 EDAB O=C(c1ccc(Br)o1)N1CCN(C[C@H](O)C2CC2)CC1 85436667 WECZJAMCQMEWBP-NSHDSACASA-N 343.221 1.571 0 40 EDAB COCC(=O)N1CCC(NC[C@H](O)c2ccc(Cl)c(F)c2)CC1 1615045571 IMFSKZAADIATFL-HNNXBMFYSA-N 344.814 1.740 0 40 EDAB CN(CC(=O)N(C1CCCC1)C1CC1)Cc1nnc2n1CCOCC2 1615554753 YQWGJBYRAMNQBQ-UHFFFAOYSA-N 347.463 1.216 0 40 EDAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1nc(-c2cccnc2)oc1=O 1615548270 CSIAUJIPAVWBAE-OCCSQVGLSA-N 330.388 1.935 0 40 EDAB CC[C@@H]1CN(C(=O)C2CCOCC2)[C@H](CO)[C@@H]1CN(CC)CC 1772594922 HFUPQYXIRLJQLU-DJIMGWMZSA-N 326.481 1.600 0 40 EDAB Cc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1C 5000061 GIKJYNKDDHTDMZ-UHFFFAOYSA-N 337.379 1.956 0 40 EDAB CCn1ccnc1N1CCN(C(=O)COc2ccc(OC)cc2)CC1 12444586 TYHIEOYCDXOQTC-UHFFFAOYSA-N 344.415 1.639 0 40 EDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC2CCCC2)cc1 16322298 BZEJANYEHLKFDI-LLVKDONJSA-N 326.418 1.421 0 40 EDAB COc1ccc(O[C@H]2CCN(C(=O)CCc3c(C)noc3C)C2)nn1 225433701 WUEAAMWJMWXMHW-ZDUSSCGKSA-N 346.387 1.703 0 40 EDAB Cc1cccnc1CN1CCC2(CC1)C[C@H](N(C)C)[C@@](C)(O)CO2 643914612 SCQGDCZQXAAOEK-ROUUACIJSA-N 333.476 1.826 0 40 EDAB C[C@]1(C(=O)O)CCC[C@@H]1NS(=O)(=O)c1cnn(-c2ccccc2)c1 548223522 ZTAOKGHBLGJEEC-HOCLYGCPSA-N 349.412 1.794 0 40 EDAB CCNC(=O)NC(=O)CSc1nncn1-c1ccccc1OC 6082065 FHCSHVNCCHIMCJ-UHFFFAOYSA-N 335.389 1.214 0 40 EDAB CN(C)c1ccnc(N2CCN(c3cc(C4CCC4)ncn3)CC2)n1 1889090969 HQRDVBIFGMTEHS-UHFFFAOYSA-N 339.447 1.927 0 40 EDAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)c3c(C)nn(C)c3C)C2)nc1 1889119462 PGINCLWDHQGDDI-OAHLLOKOSA-N 342.447 1.876 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1coc(-c2ccc(F)cc2)n1 28962632 VWLWGKGZYYVRFK-AWEZNQCLSA-N 347.346 1.344 0 40 EDAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc2c(c1)OCO2 85413507 ADSATSKZWVCTAR-DZGCQCFKSA-N 330.292 1.743 0 40 EDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1cccc(N2CCCC2=O)c1 10220963 TXLYVAWULONBJR-AWEZNQCLSA-N 331.372 1.047 0 40 EDAB CCCS(=O)(=O)Nc1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2 13696652 PFUDQXZMCUTBEQ-OAHLLOKOSA-N 338.429 1.906 0 40 EDAB Cc1cc2c(N3CCN(c4nccc(N(C)C)n4)CC3)nccn2n1 1889133952 JZDLPHVUWSJKKQ-UHFFFAOYSA-N 338.419 1.220 0 40 EDAB Cc1cc2c(cc1NC(=O)C1CCOCC1)N(C)S(=O)(=O)N2C 575612111 KNTBXEZQBSAGQK-UHFFFAOYSA-N 339.417 1.491 0 40 EDAB Cc1cc2ncnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)c2[nH]1 585602469 CSUMJAJJQMPFHR-UHFFFAOYSA-N 336.399 1.837 0 40 EDAB CN(C)C(=O)N1CCC(CNC(=O)c2ccc3c(c2)OCO3)CC1 390831137 PVBJGOACJHSTCO-UHFFFAOYSA-N 333.388 1.539 0 40 EDAB CN1C(=O)c2ccc(NC(=O)COC(=O)c3ccccn3)cc2C1=O 25374083 DFJYNZOPAPXGBR-UHFFFAOYSA-N 339.307 1.103 0 40 EDAB NC(=O)[C@@H]1CC(C(=O)NCCc2ccsc2)=NN1c1ccccc1 40074342 VUCQFDZPUYYDBM-HNNXBMFYSA-N 342.424 1.527 0 40 EDAB CS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(S(C)(=O)=O)c1 40477495 UMWLKYJNJDHJJE-JTQLQIEISA-N 333.431 1.085 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(F)cc1 11595064 QYQURQDLKGIAKG-UHFFFAOYSA-N 327.315 1.858 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(-n2cncn2)nc1 29271428 OVGJDPUMVFMOCQ-UHFFFAOYSA-N 337.265 1.516 0 40 EDAB O=c1[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(=O)[nH]1 20759728 IEIZHXLAKLAQFM-GFCCVEGCSA-N 332.747 1.139 0 40 EDAB biogenic O=C(NC[C@H](NC(=O)[C@@H]1CCOC1)C1CCCCC1)[C@H]1CCOC1 69703700 YCASUSKHTXTWET-XHSDSOJGSA-N 338.448 1.241 0 40 EDAB CC[C@H](C)[C@H](NC(=O)c1ccc(F)cc1-n1cnnn1)C(=O)OC 20738179 BDKHJQNILLBFIS-ZANVPECISA-N 335.339 1.119 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1cnc2ccccc2c1=O 69770053 CHOYOCWNXITEEP-SJORKVTESA-N 340.427 1.482 0 40 EDAB O=C(O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)Cc1ccccc1 1593785 FNWLISINDBGMPA-HNNXBMFYSA-N 335.381 1.508 0 40 EDAB O=C(NCCC(=O)N1CCc2sccc2C1)NCc1ccccn1 52268862 TXOSKZFYRGMDTB-UHFFFAOYSA-N 344.440 1.917 0 40 EDAB COc1ccc(N(CC(=O)NC(C)C)S(C)(=O)=O)cc1Cl 4995594 IOSGUZGLENZSKE-UHFFFAOYSA-N 334.825 1.639 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCc2ccccc2C1 100099624 XGLZMPFMOLQYNF-CALCHBBNSA-N 338.407 1.913 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCCc2ccccn2)C1=O 21775080 LHZDOLBRQYAWKN-AWEZNQCLSA-N 339.395 1.945 0 40 EDAB CS(=O)(=O)N1CCc2cc(C(=O)OCCn3cccn3)ccc21 52766095 NUFNYIKTBFLSCJ-UHFFFAOYSA-N 335.385 1.062 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)Cc1csc(-c2ccccn2)n1 33212242 NXOZRCAPKVDRDF-CQSZACIVSA-N 344.440 1.875 0 40 EDAB COc1ccc(OC)c2c1CN(CC(=O)Nc1cc(C)on1)C[C@H]2O 53144851 IVXAFYNJLBHJSM-GFCCVEGCSA-N 347.371 1.488 0 40 EDAB CCn1ncc(Br)c1C(=O)N(C)Cc1cnn(C)c1C 2777625 FPKOCLFJUATTJH-UHFFFAOYSA-N 340.225 1.980 0 40 EDAB O=C(/C=c1/[nH]c(=O)/c(=C\c2ccc(Cl)cc2)s1)c1ccncc1 103409441 QSQUDWWAVGDWJL-TYVLLQCESA-N 342.807 1.977 0 40 EDAB COc1ccc(OCC(=O)NS(=O)(=O)c2cccs2)cc1 42244768 RMXPIPHVIHLXPD-UHFFFAOYSA-N 327.383 1.641 0 40 EDAB C[C@H]1CN(C(=O)NC[C@]2(N3CCOCC3)CCSC2)C[C@@H](C)O1 42344484 OYCBALYILMTRKI-IJEWVQPXSA-N 343.493 1.013 0 40 EDAB CCOC(=O)N(C)c1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 54312755 ZPQFBNSIXXRLDY-UHFFFAOYSA-N 347.371 1.757 0 40 EDAB COc1cc(OC)cc([C@H](NC(=O)c2cnn[nH]2)c2nccn2C)c1 54518572 XHDDTVLFFVUAFS-AWEZNQCLSA-N 342.359 1.075 0 40 EDAB CN(c1cccnn1)C1CCN(C[C@H](O)COCc2ccco2)CC1 105902292 FSLFIMDIEKEDLM-INIZCTEOSA-N 346.431 1.548 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)Nc2ccc3ccccc3c2)CC1 27926241 LBTZTGQYNGMDJJ-UHFFFAOYSA-N 333.413 1.949 0 40 EDAB C[C@H]1CCCCN1CCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 106563246 LDMCKVMPSOBYEB-GJZGRUSLSA-N 333.432 1.619 0 40 EDAB Cc1c([C@@H](C)NC(=O)CN2C(=O)CCOc3ccccc32)cnn1C 25000513 IECKCBANQDIXFX-GFCCVEGCSA-N 342.399 1.721 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CCCCNC1=O)c1ccc2c(c1)OCCO2 43481508 UGOQRXGWRHQDIB-YPMHNXCESA-N 333.388 1.487 0 40 EDAB CN(C)c1nccc(N2CCN(Cc3cn4ccccc4n3)CC2)n1 134075674 NCRSRSOJGADKIT-UHFFFAOYSA-N 337.431 1.513 0 40 EDAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cnn(C)c1 25305166 JBBFMNKNQPUAPU-VIFPVBQESA-N 342.808 1.379 0 40 EDAB Cc1nc(C2(NS(=O)(=O)c3ncn(C)c3Cl)CCCC2)no1 56054893 SGLBJPUEUIJABM-UHFFFAOYSA-N 345.812 1.513 0 40 EDAB CN(C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1)S(C)(=O)=O 107319357 NBVVCDNRSHTRFK-HOTGVXAUSA-N 336.457 1.673 0 40 EDAB Cc1c(C(=O)N2CCO[C@H](C)C2)sc2nc3n(c(=O)c12)CCC3 26063029 UGXQVHUXIIBYFF-SECBINFHSA-N 333.413 1.574 0 40 EDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1CCOC[C@@H]1C 58193356 OWXXQRZBACYLLF-ZDUSSCGKSA-N 338.429 1.531 0 40 EDAB Cc1cc(C(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)n(C)n1 119289165 PYBDXPOKFJUWPG-AWEZNQCLSA-N 339.461 1.691 0 40 EDAB CCc1c(C(=O)CN2CCC[C@H](NC(C)=O)C2)[nH]c(C)c1C(C)=O 58173276 UUPYJWOFDHDNFA-AWEZNQCLSA-N 333.432 1.871 0 40 EDAB CCOc1cc2c(cc1CNC[C@H]1CCS(=O)(=O)C1)O[C@H](C)C2 44862949 FUABRHBUXFYZHN-CHWSQXEVSA-N 339.457 1.933 0 40 EDAB CN(C)[C@H](CNC(=O)CNC(=O)c1ccsc1)c1ccccc1 58264399 AAVZUXGLCOGFBA-OAHLLOKOSA-N 331.441 1.897 0 40 EDAB CCc1nnc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)s1 8184638 JCCYCCXXMFDFTN-LLVKDONJSA-N 329.389 1.510 0 40 EDAB Cc1ccccc1OCCN(C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 44910306 GKMHNVSXGCCKJL-AWEZNQCLSA-N 340.445 1.450 0 40 EDAB CC(C)[C@H](NC(N)=O)C(=O)NCc1ccnc(OC2CCCC2)c1 44938908 PNLUTYDTUDMPNL-HNNXBMFYSA-N 334.420 1.712 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1c2ccccc2C[C@@H]1O 44980220 UACFRIMDXGSHBQ-WMLDXEAASA-N 326.352 1.873 0 40 EDAB C[C@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)S(C)(=O)=O 44936726 FAFOANPSZJCJAV-CYBMUJFWSA-N 335.429 1.323 0 40 EDAB CN(CCCNC(=O)c1occc1-c1ccccc1)S(C)(=O)=O 44919112 GZBWALRMCTVJGS-UHFFFAOYSA-N 336.413 1.958 0 40 EDAB O[C@H](COCc1ccccc1F)Cn1nnc(-c2cccnc2)n1 58369241 KDTYSCKVMDZJSP-AWEZNQCLSA-N 329.335 1.452 0 40 EDAB CN(C)c1cccc(CNC(=O)CNC(=O)NCc2ccco2)c1 58329916 OZQFDLBZNKICNL-UHFFFAOYSA-N 330.388 1.461 0 40 EDAB Cc1nn2c(=O)cc(CN(C[C@H](C)O)c3ccccc3)nc2s1 58379316 ZBXZQWHALJXFBN-NSHDSACASA-N 330.413 1.847 0 40 EDAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCN2CCCS2(=O)=O)o1 58431611 JFUGCBQSRLMPIP-UUSSSYRCSA-N 338.429 1.568 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](C)C3)CC2=O)cc1OC 28504776 IZCGUVUXDPPSKE-STQMWFEESA-N 348.399 1.304 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)CNc2cccc(C(C)=O)c2)C1=O 28658588 FYSOYNUNGPYCOY-MRXNPFEDSA-N 332.360 1.053 0 40 EDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H]1CCOC1 48311798 AHZGDQCKBWSEDB-DZGCQCFKSA-N 333.367 1.057 0 40 EDAB COc1ccc([C@@H](O)CNCc2cnc(N3CCCC3)nc2)cc1 48710184 CTFGQZVBZAUQFT-KRWDZBQOSA-N 328.416 1.909 0 40 EDAB CCCN1CC[C@H](CNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1 69295799 UPGCPWLMEOTENW-NVXWUHKLSA-N 344.459 1.823 0 40 EDAB Cc1cnn(C[C@H]2CCCN2Cc2cc(=O)n3nc(C)sc3n2)c1 70040692 CTVWCADFYNIHAL-CQSZACIVSA-N 344.444 1.629 0 40 EDAB Cc1nc2cc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)ccc2n1C 69322704 UDXNLTFCICNPKR-MRXNPFEDSA-N 344.459 1.968 0 40 EDAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cscn2)cc1 63474490 QVUCBXBVEBPXOQ-UHFFFAOYSA-N 346.412 1.666 0 40 EDAB C[C@H]1NC(=S)N([C@H](Cc2ccccc2)C(=O)N2CCCC2)C1=O 69420248 YOBGSVFXURFXNL-TZMCWYRMSA-N 331.441 1.325 0 40 EDAB NC(=O)[C@H](NC(=O)CSCC(=O)c1ccccc1)c1ccccc1 69380055 IDQVQRNZMNGYAY-QGZVFWFLSA-N 342.420 1.945 0 40 EDAB O=C(NCCNC(=O)c1ccc2c(c1)COC2)c1ccc(O)cc1 64656602 HQSKEMAXCMGNCY-UHFFFAOYSA-N 326.352 1.582 0 40 EDAB COc1ccccc1CN(C)C(=O)C[S@](=O)Cc1cc(C)on1 64811494 HBRDFFAYBXBHSF-QHCPKHFHSA-N 336.413 1.899 0 40 EDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCCc1cc(F)cc(F)c1 65531726 HKIRWLCVPOYMJU-UHFFFAOYSA-N 346.337 1.511 0 40 EDAB Cc1nn(C)c(N(C)C)c1CN[C@H](C(=O)N(C)C)c1ccccc1 65539096 WOAMFARLOQZFSI-INIZCTEOSA-N 329.448 1.714 0 40 EDAB CCN1CCC(NC(=O)NCCOc2cccc(NC(C)=O)c2)CC1 69534497 RUMGNNNKSOLBKN-UHFFFAOYSA-N 348.447 1.807 0 40 EDAB COc1ccc(C(=O)Nc2cc(OC)ccc2-n2cnnn2)cc1 6469086 UKKPULJGDOUAHB-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB COC(=O)CC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OC 14135134 VCBQFKVECXISDV-UDMGLPGGSA-N 337.416 1.814 0 40 EDAB Cc1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1C 69946220 PWXYTLGJDSUMIJ-UHFFFAOYSA-N 348.491 1.815 0 40 EDAB COC(=O)[C@@](C)(COc1ccccc1)NS(=O)(=O)c1ccccc1 65626574 SUHJJTQTCSQXKO-QGZVFWFLSA-N 349.408 1.976 0 40 EDAB CC[C@](C)(NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)C(=O)OC 65610151 PFJRHUZBHAZREF-SFHVURJKSA-N 349.383 1.879 0 40 EDAB CC(C)CNC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 5425634 UFWKZILULBZMCM-HNNXBMFYSA-N 329.400 1.538 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)NC3(C(N)=O)CCCC3)cnc12 69654816 BXHKTRXWTMNYHC-UHFFFAOYSA-N 342.399 1.009 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)N1CCCc2ccccc21 69601690 VDGHKQWGHUDCBP-MRXNPFEDSA-N 325.416 1.722 0 40 EDAB CS(=O)(=O)CCNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 69654498 MFOVVTPZUJNIAY-GFCCVEGCSA-N 340.401 1.306 0 40 EDAB O=C(c1ccc(-n2cccn2)nc1)N1CCCN(c2cccnn2)CC1 69901863 LAHMMFPIFXNWML-UHFFFAOYSA-N 349.398 1.410 0 40 EDAB C[C@H](OC[C@H]1CCCCO1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 66310052 KCSLQAJKWWWPLG-XKQJLSEDSA-N 346.427 1.399 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2ccccc2s1 8777201 HYKXMDQHFHVESE-SNVBAGLBSA-N 325.415 1.659 0 40 EDAB C[C@]1(C2CCN(C(=O)c3cc(F)ccc3F)CC2)NC(=O)NC1=O 80934796 ZDCXCAPPQGMING-MRXNPFEDSA-N 337.326 1.415 0 40 EDAB Cc1cccc(N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1C 7849639 FWAYVOKGOFZAAQ-OAHLLOKOSA-N 336.457 1.387 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)COc3ccc(C(N)=O)cc3)C2)c1 71185758 DSLWJGFXAZZGPE-OAHLLOKOSA-N 342.399 1.533 0 40 EDAB CCOP(=O)(OCC)[C@]1(O)C(=O)N(C(C)=O)c2ccccc21 9142780 MLYQIJBIHBBVPE-AWEZNQCLSA-N 327.273 1.991 0 40 EDAB O=c1cccnn1CCCNS(=O)(=O)c1cccc(Cl)c1 23241988 PQULJXRCBPRFPJ-UHFFFAOYSA-N 327.793 1.265 0 40 EDAB CCc1nsc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1 97081343 YWFCCJSMYCDINA-LBPRGKRZSA-N 344.506 1.931 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1 9450702 NHIRYMXDWLNLQG-UHFFFAOYSA-N 346.364 1.637 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(F)c(-n2cccc2)c1 75606974 AEANWHQDRKAKBE-UHFFFAOYSA-N 328.303 1.105 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)c1ccc(OCC(=O)C2CC2)cc1 72275247 ZBMVHNRSTVDZDL-CQSZACIVSA-N 346.427 1.495 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)o1 71853446 GYLJCZPADAQQRB-UHFFFAOYSA-N 342.399 1.647 0 40 EDAB Cn1cc(CN2CCN(C[C@@H](O)c3cc(F)ccc3F)CC2)cn1 71879121 KGLRSLABZYOXDY-QGZVFWFLSA-N 336.386 1.550 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCCC[C@H]2Cn2cccn2)c(=O)[nH]1 71865267 IPBJTRVLCVORQT-AWEZNQCLSA-N 329.404 1.207 0 40 EDAB O=C(NCCN1CCN(Cc2ccncc2Cl)CC1)C1CCC1 75751771 NWIJKPYPUJMWCF-UHFFFAOYSA-N 336.867 1.769 0 40 EDAB O=S1(=O)N=C(NC[C@H](O)c2ccc(F)c(F)c2)c2ccccc21 72278051 BBCNMZGERIAUSX-ZDUSSCGKSA-N 338.335 1.737 0 40 EDAB O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc2[nH]nnc2c1 71900342 VWZMHXBXJUVISM-CYBMUJFWSA-N 339.330 1.632 0 40 EDAB COc1cc2c(cc1OC)CN(Cn1nc3ccccn3c1=O)CC2 9691551 MNRVQNMZLYXFNR-UHFFFAOYSA-N 340.383 1.529 0 40 EDAB CS(=O)(=O)[C@H]1CSCCN1C(=O)/C=C/c1c(F)cccc1F 76042016 LIKPOTFOUJCLBW-GJBLVYBDSA-N 347.408 1.924 0 40 EDAB Cn1cc(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c2ccccc21 72269536 PMTVNJPGURZTQZ-MOPGFXCFSA-N 341.455 1.778 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)Nc2nc(-c3cnn(C)c3)cs2)c1C 72295449 QAZNRLXZPKCQSE-UHFFFAOYSA-N 344.400 1.506 0 40 EDAB CN(Cc1csnn1)[C@@H](C(N)=O)c1cccc(Br)c1 97162295 ALZFVHCSTBTCAJ-LLVKDONJSA-N 341.234 1.959 0 40 EDAB CCc1nnc2n1C[C@H](NCc1ccc(S(C)(=O)=O)cc1)CC2 97199556 DSSSSAADHCOLCP-CYBMUJFWSA-N 334.445 1.349 0 40 EDAB C[C@H](CO)NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 97205103 QYYDJAHRCLMMLA-CYBMUJFWSA-N 348.424 1.622 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(CCOc3cccc(F)c3)C2)C1=O 84597361 HBBAFSGYYNPFMJ-QGZVFWFLSA-N 335.379 1.609 0 40 EDAB Cc1cc(CN2CCN(c3ncc(Br)cn3)CC2)no1 95356521 YVRKQSIZXYXSFO-UHFFFAOYSA-N 338.209 1.858 0 40 EDAB O[C@]1(CNCc2csc3ccc(Cl)cc23)CNCCOC1 77357559 XAJGKFLFGSAJSW-HNNXBMFYSA-N 326.849 1.995 0 40 EDAB CC1(C)[C@H]2CN(C(=O)NCCS(=O)(=O)c3ccccc3F)C[C@H]21 95405333 XUFUSHQFRLEDAS-TXEJJXNPSA-N 340.420 1.897 0 40 EDAB NC(=O)c1cc(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)c[nH]1 95464145 BORCEUFNICYILB-UHFFFAOYSA-N 348.725 1.739 0 40 EDAB Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2ccn3ccnc3c2)cn1 95445999 HREYXFQCPUEADQ-HNNXBMFYSA-N 337.383 1.945 0 40 EDAB NS(=O)(=O)[C@H]1CCCN(Cc2nnc(-c3cccs3)o2)C1 95459850 LNRODCFMLKKSAX-VIFPVBQESA-N 328.419 1.051 0 40 EDAB CN1C(=O)N[C@](C)([C@H]2CCCN(Cc3nnsc3Cl)C2)C1=O 95402591 LJVWBUUCAMZTLL-ISVAXAHUSA-N 343.840 1.344 0 40 EDAB O=C(NCCOc1cccc(Br)c1)[C@@H]1CSCN1 95971069 QWZKZEIUPPNSIU-NSHDSACASA-N 331.235 1.607 0 40 EDAB Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)[C@H]2CCC(=O)N2)cc1 95962158 KHYJHSYYTGIAAH-IAGOWNOFSA-N 330.428 1.824 0 40 EDAB CN(C)C(=O)Cn1ccc2cc(NC(=O)NCc3ncc[nH]3)ccc21 95982788 KYMLIJQUBUEXAE-UHFFFAOYSA-N 340.387 1.774 0 40 EDAB Cc1noc(C)c1CN1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 95956240 DOLYZEUESWOBFB-KRWDZBQOSA-N 346.406 1.775 0 40 EDAB Cc1noc(C)c1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1=O 95956340 WIKYNGNHUXVYRQ-INIZCTEOSA-N 327.384 1.751 0 40 EDAB CCO[C@@H](C)c1noc(CN2CCN(c3nc(C4CC4)no3)CC2)n1 78508606 SJNPWCGZRMRRFJ-NSHDSACASA-N 348.407 1.750 0 40 EDAB C[C@H](OC1CCCC1)C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 78901519 XBOUVPGWRDVGLS-RYUDHWBXSA-N 334.420 1.562 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H](CNC(=O)C(C)(C)C)C1 75137762 UJKJOEPIPMWTNE-AWEZNQCLSA-N 349.479 1.839 0 40 EDAB O=C(Cn1nnnc1Cc1ccccn1)N1CCC[C@@H]2CCCC[C@H]21 75109701 AAFDYVYVYACZGA-GOEBONIOSA-N 340.431 1.840 0 40 EDAB O=C(NCCc1cccnc1)[C@@H]1COCC(=O)N1Cc1ccccc1 89834810 HKMURTVQAXHAQM-KRWDZBQOSA-N 339.395 1.168 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 408589447 FQVZLZWVDUCIEV-ZDUSSCGKSA-N 342.461 1.694 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@H](O)c2cccc3ccccc23)no1 70636187 VJBDBGHAMUWYAP-HNNXBMFYSA-N 339.351 1.925 0 40 EDAB NCC[C@@H]1CCCCN1C(=O)c1cc(C(=O)O)n(-c2ccccc2)n1 566317936 LHCCRCZLQKANCR-ZDUSSCGKSA-N 342.399 1.914 0 40 EDAB Cn1ccc(=O)n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O 557704938 OQAKMDNIZVCOFW-UHFFFAOYSA-N 341.411 1.028 0 40 EDAB Cc1nccc(N2CCC[C@@](C)(c3[nH]ncc3C(=O)N(C)C)C2)n1 72388735 MCPFOVPZPUJVKV-QGZVFWFLSA-N 328.420 1.768 0 40 EDAB Cc1cccn2c(CC(=O)N3CCC[C@@]4(CNC(=O)O4)C3)cnc12 72137193 UNMUCPJUHCAFRX-QGZVFWFLSA-N 328.372 1.286 0 40 EDAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)Cc1ccccc1 71980272 OYTSAOWFAIQVDX-INIZCTEOSA-N 346.427 1.743 0 40 EDAB CC(C)[C@H](CNC(=O)c1c(O)cc(F)cc1F)N1CCN(C)CC1 75182180 WPQYXWRJSULDBH-AWEZNQCLSA-N 341.402 1.672 0 40 EDAB COc1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c(O)c1 78987005 LQMZVHXJOWVHBN-JTQLQIEISA-N 332.278 1.294 0 40 EDAB Cc1cc(C)nc(-n2nc(C)cc2NS(=O)(=O)c2cccnc2)n1 78556687 CFWYKNABRHLAAF-UHFFFAOYSA-N 344.400 1.783 0 40 EDAB Cc1nnc2c(N3CCC(NC(=O)OC(C)(C)C)CC3)nccn12 491948231 KPVGIRXWFPJIMX-UHFFFAOYSA-N 332.408 1.926 0 40 EDAB C[C@@H]1Oc2ccc(S(=O)(=O)NCCc3ccccc3)cc2NC1=O 71542770 HUBRJLNLZSTUML-LBPRGKRZSA-N 346.408 1.927 0 40 EDAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NC[C@@H]3CCCO3)n2)cc1 41254524 YEQYUOBZPSJCKY-INIZCTEOSA-N 341.411 1.904 0 40 EDAB O=C(NS(=O)(=O)c1cnn(CC2CC2)c1)[C@@H]1CCCC(F)(F)C1 225725497 JUAOTZGHPLOJED-LLVKDONJSA-N 347.387 1.924 0 40 EDAB Cc1cccnc1CN(Cc1ccco1)[C@H]1CS(=O)(=O)C[C@@H]1O 89268402 VLFWNJSDTWKSKC-HOTGVXAUSA-N 336.413 1.143 0 40 EDAB O=C(Nc1cc(N2CCOCC2)ncn1)c1ccc2nsnc2c1 75166250 NGZVAAYINWGUSX-UHFFFAOYSA-N 342.384 1.570 0 40 EDAB CN(Cn1c(=O)oc2ccc(Cl)cc21)[C@@H]1CCS(=O)(=O)C1 40497445 QUIXQWKTWWKXDT-SNVBAGLBSA-N 330.793 1.324 0 40 EDAB C[C@@H](NC(=O)COc1ccc(F)c(C(F)(F)F)c1)C(=O)N(C)C 190516615 FFKJWLZGLGEKDU-MRVPVSSYSA-N 336.285 1.816 0 40 EDAB CCO[C@@H]1C[C@@](NC(=O)c2n[nH]c3ccccc23)(C(=O)O)C1(C)C 193025210 RGDHENLWKSZVGH-SJKOYZFVSA-N 331.372 1.951 0 40 EDAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 96036739 YPJGWPFLTUIFRZ-AWEZNQCLSA-N 346.456 1.581 0 40 EDAB CCCCS(=O)(=O)N1CCc2ncc(Cn3cccn3)n2CC1 96196978 ISKIFAFPNFWLBA-UHFFFAOYSA-N 337.449 1.116 0 40 EDAB Cc1ccc(CN2C[C@@H](C)[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)o1 96201700 JRMJBBSHEDAPDC-FZKQIMNGSA-N 333.432 1.347 0 40 EDAB CS[C@@H]1CC[C@H](NC(=O)NCCN2CCC(N(C)C)CC2)C1 96452380 JHPFRALIVFSIKM-DZGCQCFKSA-N 328.526 1.596 0 40 EDAB Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2ccncc2)cs1 96055650 DHTMCQHCGYCTOA-LSDHHAIUSA-N 342.424 1.862 0 40 EDAB C[C@@H](CNC(=O)c1ccc(Cl)cc1O)CN1CCN(C)CC1 96449860 DRBWHEMILSOJIH-LBPRGKRZSA-N 325.840 1.659 0 40 EDAB CCO[C@H]1CC[C@H]2[C@@H]1OCCN2S(=O)(=O)c1ccc(C)cc1 97953680 NGEGNQDTZWZPIR-JYJNAYRXSA-N 325.430 1.952 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)Cc2cn3ccsc3n2)C1 96419139 BWISERIPEWUUMI-CMPLNLGQSA-N 341.458 1.410 0 40 EDAB COC(=O)c1ccc([C@H](N)[C@@H](N)c2ccc(C(=O)OC)cc2)cc1 98073366 JAJUJYTZXAOLOG-HOTGVXAUSA-N 328.368 1.960 0 40 EDAB O=C(C[C@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@H]21)N1CCOCC1 96207591 FCQIOIALVJQFEO-KZNAEPCWSA-N 345.443 1.167 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](F)[C@]2(CCN(Cc3cnn(C)c3)C2)C1 96241241 KDQVFPYEISSWBF-VKZRIFJHSA-N 334.439 1.839 0 40 EDAB C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CC(=O)N(C)C1 96426363 UXIXFXRNCCYISM-MWLCHTKSSA-N 341.205 1.563 0 40 EDAB Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)cc1F 96475500 CMCPRNGOUFMOMX-LLVKDONJSA-N 346.399 1.808 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)CC1CC1)C2 96237853 GXIHRGXVHUTMIX-LJQANCHMSA-N 327.428 1.736 0 40 EDAB CN(C)C(=O)COC[C@H]1c2c(ncn2C)CCN1Cc1ccsc1 96066792 OHBOKCZDTDJVCU-HNNXBMFYSA-N 348.472 1.686 0 40 EDAB O=C(N[C@@H]1Cc2cccc(O)c2C1)N1CC[C@@H](CN2CCCC2)C1 579852890 HJADWUGXNCLKFI-GOEBONIOSA-N 329.444 1.987 0 40 EDAB CN(C)[C@H](CNC(=O)N[C@H]1CCN(C2CCCC2)C1)c1cnn(C)c1 96410715 GCNRJQDFUBFIKW-DOTOQJQBSA-N 348.495 1.339 0 40 EDAB O=S(=O)(c1c[nH]cn1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 96500589 RNRHYTKVEXRXGC-CYBMUJFWSA-N 325.365 1.436 0 40 EDAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)COC)CC2)c2ccccc21 96052597 AIIWBPSNEXGZRI-CQSZACIVSA-N 330.428 1.817 0 40 EDAB Cc1cc(I)cnc1NC(=O)Cn1cccn1 96441306 RTQZXDOWLBYFNS-UHFFFAOYSA-N 342.140 1.830 0 40 EDAB O=C(c1ncccn1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 247848344 HWQFPBRMXONONS-CYBMUJFWSA-N 326.356 1.324 0 40 EDAB O=C([C@@H]1CCC[C@@]12CCN(Cc1cccnc1)C2)N1CCOCC1 247791542 OJWFSXGKBVUKID-HKUYNNGSSA-N 329.444 1.933 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)Cn3nc(C)cc3C)CCO2)nc(C)n1 257238257 HKEBAGNSVIAXJQ-INIZCTEOSA-N 329.404 1.507 0 40 EDAB CCc1ncc2c(n1)CN(C(=O)C(F)(F)C1(O)CCCC1)CC2 252479610 BINYWMVPMHCHPH-UHFFFAOYSA-N 325.359 1.864 0 40 EDAB CC(=O)N1CCC[C@@H]2N(C(=O)Cn3nc(C)cc3C)CCC[C@@]21C 257261804 LIWTZRRPMUAGHJ-WMZOPIPTSA-N 332.448 1.892 0 40 EDAB COCC(=O)N1CCC[C@@H](Cc2cnc(-c3ccnn3C)cn2)C1 257305771 SRLWKYIFTSDQRJ-ZDUSSCGKSA-N 329.404 1.305 0 40 EDAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)CCCn2cccn2)n1 257286859 PNIWXZNTEKHGJG-MRXNPFEDSA-N 342.447 1.879 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)c3ccc(-n4ccnc4)nc3)CCO2)n1 257333962 YDXBEYDROAYMRJ-CQSZACIVSA-N 338.371 1.513 0 40 EDAB CC[C@@](O)(C(=O)NCc1nc(N(C)C)no1)c1cccc(Cl)c1 252510024 ZAKAOEYMCMNTCJ-HNNXBMFYSA-N 338.795 1.703 0 40 EDAB Cn1ccnc1[C@@H](NS(=O)(=O)c1cc(Cl)cnc1N)C1CC1 585081750 URJTYYGZFUMHMD-NSHDSACASA-N 341.824 1.480 0 40 EDAB CO[C@H]1CN(S(=O)(=O)c2ccccc2C)CC[C@@]12CCCO2 257212467 CDNUEBXKXYPOND-HOTGVXAUSA-N 325.430 1.954 0 40 EDAB COCc1ccccc1S(=O)(=O)N1CCO[C@@H]1C(F)(F)F 585129486 LHQNLTFACGIDBX-LLVKDONJSA-N 325.308 1.742 0 40 EDAB COC(=O)[C@@H]1[C@H](CN(C)CC(C)(C)CN2CCOCC2)C1(F)F 585116668 DRDUIBZLVWAELC-STQMWFEESA-N 334.407 1.331 0 40 EDAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3cccc(-n4cnnc4)c3)C2)n1 257220883 DMPYSZOFTUWDCL-OAHLLOKOSA-N 336.399 1.939 0 40 EDAB CCc1nccn1CC(=O)N1CCO[C@H](CCc2cc(C)ncn2)C1 257219164 DFVMRGYHZYACGV-MRXNPFEDSA-N 343.431 1.404 0 40 EDAB CNc1nc(C)ccc1C(=O)N1CC2(CCOCC2)CC[C@H]1CO 1615550143 WFNMXKPXQAIUEU-AWEZNQCLSA-N 333.432 1.825 0 40 EDAB O=C1CCCCN1C[C@H]1CCC2(CN(C(=O)[C@H]3CCOC3)C2)OC1 575404479 MXODOJKRVJSEJC-CABCVRRESA-N 336.432 1.043 0 40 EDAB CCOCC(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3cccc(OC)c3)CO2)C1 585288371 XXGJRSXAGDWXHG-QGPMSJSTSA-N 335.400 1.178 0 40 EDAB Cc1nc(O)cc(C(=O)N2CC[C@](O)(COc3ccc(F)cc3)C2)n1 585276536 MMQBZYCQVKURJN-QGZVFWFLSA-N 347.346 1.286 0 40 EDAB Cc1cc(N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)ncn1 585415953 VAOOROUJMRBCGZ-ZIAGYGMSSA-N 336.403 1.104 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)NCC(=O)Nc1nccs1)C2 58329324 JBGBBKUTWHMUSC-NSHDSACASA-N 347.396 1.458 0 40 EDAB COc1c(CNCc2ccc(CN3CCOCC3)cc2)c(C)nn1C 58404205 DJDUUXANCUOLSI-UHFFFAOYSA-N 344.459 1.859 0 40 EDAB Cc1ccc(C)c(OC2CCN(Cc3nc(N)nc(N)n3)CC2)c1 58182848 GEJIOENJBMEMND-UHFFFAOYSA-N 328.420 1.696 0 40 EDAB C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)N(C)C 69347624 JPBTXZGSUYCTLD-TZMCWYRMSA-N 347.415 1.086 0 40 EDAB COc1cccc2cc(CNC(=O)C(=O)Nc3nnc(C)s3)oc12 69808782 FTNLLSKMPQUJGS-UHFFFAOYSA-N 346.368 1.856 0 40 EDAB COc1nc(C)ccc1CNC(=O)C(=O)Nc1ccc(C(C)=O)cc1 66221630 CUFARBPTKMQWCM-UHFFFAOYSA-N 341.367 1.856 0 40 EDAB O=S(=O)(c1c[nH]cn1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 95433026 BODABYPBRYHSFY-OAHLLOKOSA-N 339.392 1.683 0 40 EDAB CCOC(=O)c1c(N)sc2c1CN[C@H](C(=O)OC(C)(C)C)C2 95644274 MMSZAOIRTKKFRB-VIFPVBQESA-N 326.418 1.863 0 40 EDAB O=C([C@H]1C[C@H]2CC[C@H]1O2)N1CCN(Cc2cn3ccccc3n2)CC1 107498781 ZYCOXAQNWIZJBX-IXDOHACOSA-N 340.427 1.546 0 40 EDAB O=S1(=O)CCCC[C@H]1CNCc1cnnn1Cc1ccccc1 565575565 WOHXZQDAGYZSBH-INIZCTEOSA-N 334.445 1.383 0 40 EDAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN(CC(N)=O)C2)n1 1615526233 QHDNZNZOACEGCM-LLVKDONJSA-N 332.433 1.568 0 40 EDAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)N1CCCC1 12117507 OWJUYHUDWUSBCW-UHFFFAOYSA-N 342.424 1.930 0 40 EDAB CC(C)NC(=O)Cn1nc2c3ccccc3nc(C(C)C)n2c1=O 12183450 MXDMMXXQLRTYEI-UHFFFAOYSA-N 327.388 1.692 0 40 EDAB O=C(NCc1ccccn1)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858498 ACSHMMKFBXIKSI-UHFFFAOYSA-N 345.380 1.078 0 40 EDAB CC[C@@H](C)S(=O)(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 19500003 GURRQAFKUZWYHN-CYBMUJFWSA-N 347.440 1.895 0 40 EDAB CN(C)c1ncc(CN2CCC(CC(=O)N3CCCC3)CC2)cn1 19748494 ZIAZYALMHHOQGM-UHFFFAOYSA-N 331.464 1.767 0 40 EDAB O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 4018975 DAWJZTJNMMPJLJ-OXJKWZBOSA-N 339.269 1.511 0 40 EDAB O=C(C1CC1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134295 WFSHMKPXUKZCOE-UHFFFAOYSA-N 346.822 1.370 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)C5CCC5)C[C@H]4C3)n1)CCC2 1888854145 ANQQAKFQNPNPSS-GASCZTMLSA-N 326.444 1.968 0 40 EDAB O=C(c1noc2c1CCCC2)N1C[C@H]2CN(c3cnccn3)C[C@@H]2C1 1888868547 AWCWZHQTTNBPGX-CHWSQXEVSA-N 339.399 1.552 0 40 EDAB COc1ncccc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 30304087 ULVQRDURRZKRRA-CYBMUJFWSA-N 329.356 1.348 0 40 EDAB CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)C3(F)CC3)CC2)CO1 1614928073 JYDVKXWIBBBPIA-LBPRGKRZSA-N 327.400 1.205 0 40 EDAB COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc(OC)c1OC 9042672 MWZJDMYABUBIQP-JTQLQIEISA-N 345.355 1.578 0 40 EDAB CC(=O)Nc1ccc(C(OC(C)=O)(OC(C)=O)c2ncccn2)cc1 12364350 GKOPEKVDBJKXEW-UHFFFAOYSA-N 343.339 1.762 0 40 EDAB CCn1c(C)cc(O)c([C@@H](c2ccccn2)N2CCN(C)CC2)c1=O 22697404 ZKEVROHJCYRWMJ-GOSISDBHSA-N 342.443 1.614 0 40 EDAB CC(C)(C)c1nccc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)n1 2086884606 UBGVKCRWOSPJFY-GFCCVEGCSA-N 338.477 1.825 0 40 EDAB CCOC(=O)N1CCC(NC(=O)C(=O)NCc2cccs2)CC1 38490201 FKCLYSBJEZNFSW-UHFFFAOYSA-N 339.417 1.101 0 40 EDAB O=C(NC[C@@H]1CCCO1)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225783943 VGPOGGWKDMASBK-LBPRGKRZSA-N 346.362 1.080 0 40 EDAB COc1cc(CN[C@H](C)[C@@H]2CCCO2)cc(Cl)c1OCC(N)=O 30908465 HSGMVLUDZOHUHK-MFKMUULPSA-N 342.823 1.870 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(Cl)c2cccnc12 40490030 FVXJHSFSUSRFCU-UHFFFAOYSA-N 330.731 1.377 0 40 EDAB CNC(=O)CCS(=O)(=O)Cc1nc(-c2ccc(C)c(F)c2)no1 40528656 IGVPKSKDENWGHF-UHFFFAOYSA-N 341.364 1.235 0 40 EDAB CC1(C)NC(=O)N(CCCN2CCO[C@H](c3ccc(F)cc3)C2)C1=O 40515881 OTFDFXLGRJTOJC-HNNXBMFYSA-N 349.406 1.920 0 40 EDAB Cc1occc(=O)c1OCc1noc(C(=O)NCc2cccnc2)n1 31818762 DMIBLHUBYTZKJM-UHFFFAOYSA-N 342.311 1.235 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)[C@H]1CSCN1C(=O)C1CCC1 69457798 CNKWXDTWZUACLB-CYBMUJFWSA-N 341.477 1.061 0 40 EDAB CC1(C)CC(=O)c2cc(C(=O)NO[C@@H]3CCCCO3)c(=O)[nH]c2C1 69703461 KMVCZPZLMGIBON-CQSZACIVSA-N 334.372 1.718 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)NC[C@@H](C)N1CCOCC1 46264805 JYLIAPUKSSKSMH-CQSZACIVSA-N 349.431 1.668 0 40 EDAB O=C(Nc1ccc(F)cc1)N[C@H]1CCN(CCN2CCOC2=O)C1 69737189 JREQTBXOPMURNU-AWEZNQCLSA-N 336.367 1.474 0 40 EDAB Cc1ccc(F)c(NC(=O)C(=O)N2CCN(C(=O)C3CCC3)CC2)c1 69739896 ZHJFNXLRNIDVGO-UHFFFAOYSA-N 347.390 1.544 0 40 EDAB O=C(NCCC(=O)N1CCc2sccc2C1)NCc1cccnc1 52140468 XDEZNVDLGLTKMM-UHFFFAOYSA-N 344.440 1.917 0 40 EDAB O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)N1CCOCC1 4315036 AYWFOAJNUNSKNW-UHFFFAOYSA-N 328.416 1.601 0 40 EDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCc1ccc(Cl)cc1 102301840 HNLWFPWDAWWCKW-HUUCEWRRSA-N 346.814 1.950 0 40 EDAB Cc1csc2nc(COC(=O)CNC(=O)c3ccco3)cc(=O)n12 6151313 BBRIKAXBGGZPKT-UHFFFAOYSA-N 347.352 1.131 0 40 EDAB CC(C)CCC[C@H](C)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 7985227 UESXOJUQDGDWDN-ZDUSSCGKSA-N 339.461 1.815 0 40 EDAB CCc1ccccc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 7990763 JDAHKHIDOCFWJF-UHFFFAOYSA-N 344.415 1.947 0 40 EDAB C[C@@H]1[C@@H](OC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C[C@H]2C[C@H]1C2(C)C 102595699 ONGNFRNBGGRHMD-UHXZMOTISA-N 346.427 1.711 0 40 EDAB O=C(COC(=O)c1ccccc1OC(F)F)NC[C@H]1CCCO1 21751288 XPAVPHSPLGFZHU-SNVBAGLBSA-N 329.299 1.740 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)[C@H](C)Cn2cccn2)CC1 69770456 IQWCSJRQNFLCBJ-MRXNPFEDSA-N 344.463 1.470 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 53892227 PHMXYBCOAFWPSS-LLVKDONJSA-N 332.331 1.945 0 40 EDAB CC(C)CCOC[C@H](O)CNCCNC[C@@H](O)COCCC(C)C 22584274 OXAYASBURPDVLO-QZTJIDSGSA-N 348.528 1.013 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1 54234749 KVDQEAGXXWXAKU-UHFFFAOYSA-N 331.482 1.298 0 40 EDAB O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccccc1O 100635790 ZDCDOZFPRHZADM-GVARAGBVSA-N 341.367 1.321 0 40 EDAB aggregator C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccnc(-n2cncn2)c1 54705957 PBDGBWBSSVZPOO-ZFWWWQNUSA-N 329.404 1.987 0 40 EDAB O=C(NCCCOc1ccccc1F)N[C@H]1CCS(=O)(=O)C1 47595242 QDNYYSBEEUCFOI-NSHDSACASA-N 330.381 1.081 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 24095530 ULWMMDMJBXKUAR-HRCADAONSA-N 329.396 1.994 0 40 EDAB Cn1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)n1 24473726 CSPKNWFEBJFPKE-AWEZNQCLSA-N 338.367 1.993 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCC3)cc(C3CC3)nc21 24745702 CSTXCLAQGUCVLQ-UHFFFAOYSA-N 342.399 1.608 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCCc3c2cnn3C)cc1 24994989 CMMALBUQQHALPP-YCABEKBOSA-N 338.411 1.987 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1CCNC(=O)C[C@H]1c1ccccc1 106642612 QSIFFNNSJZJPMJ-RDJZCZTQSA-N 329.444 1.951 0 40 EDAB CCn1nccc1CN(C)C(=O)Cc1ccc(-n2cnnn2)cc1 28235771 AISNTVPVSZTZJK-UHFFFAOYSA-N 325.376 1.080 0 40 EDAB Cc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1C 58457611 IGVGMGGQCXZDMC-AWEZNQCLSA-N 343.470 1.644 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC 60388160 XQNJEEDVHLYYRC-UHFFFAOYSA-N 342.417 1.455 0 40 EDAB Cc1nc2ccc(NCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2s1 57524512 AOFXRAOCGYRIIN-LLVKDONJSA-N 339.442 1.320 0 40 EDAB CNC(=O)[C@@H]1CCCN(C[C@H](O)COc2cc(C)ccc2Cl)C1 108498315 MLFVVIVGFOBILE-KGLIPLIRSA-N 340.851 1.846 0 40 EDAB CN1CC[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CC1=O 44623087 GETBUHSVQUJAAN-IRXDYDNUSA-N 345.443 1.045 0 40 EDAB CC[C@H](C)NC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209405 ZHOYIKNDGNRCJS-GXTWGEPZSA-N 338.429 1.589 0 40 EDAB COc1cc2c(cc1OC)CN(CC(=O)N1CCO[C@H](C)C1)CC2 10127575 IBVNUYAMANZASU-CYBMUJFWSA-N 334.416 1.309 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCCc2ccc(N(C)C)cc2)C1 58293551 BGACNWWFQAPOPT-AWEZNQCLSA-N 325.478 1.861 0 40 EDAB NC(=O)NC(=O)CNc1ccc(C(=O)N2CCc3ccccc32)cc1 58293316 YISOLWHIXWELLT-UHFFFAOYSA-N 338.367 1.496 0 40 EDAB COCCn1cc(NC(=O)N2CCN(Cc3ccccc3)CC2)cn1 44972996 MEILZNXKCWGHRN-UHFFFAOYSA-N 343.431 1.879 0 40 EDAB Cn1ccnc1CCNC(=O)Cc1csc(-c2cccnc2)n1 58357209 AZVDHDUTLSWUSE-UHFFFAOYSA-N 327.413 1.840 0 40 EDAB COc1cc(F)c(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cc1OC 28057725 HHXKKPJJSHFPKV-UWVGGRQHSA-N 333.381 1.641 0 40 EDAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)NCC(F)(F)F)c1 3321294 ZDHWDOLPKYMCGD-ZZXKWVIFSA-N 347.289 1.939 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=S)NCCCN(C)C 3414825 PRDJXTKRRPZPCN-AWEZNQCLSA-N 337.489 1.975 0 40 EDAB CC1CCN(S(=O)(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1 12920279 FYIJGAGMOOLIJV-UHFFFAOYSA-N 343.424 1.673 0 40 EDAB CN(Cc1ccccc1)C[C@@H](O)Cn1nc(-c2ccccc2)oc1=O 69598784 NFVRYJPZIRAZAZ-QGZVFWFLSA-N 339.395 1.996 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)/C=C/c1ccccn1 69892853 LMXZZVUXUYWMGG-ZNFPLGDCSA-N 330.432 1.154 0 40 EDAB O=C(COCC(F)(F)F)N1CCN(C[C@H](O)c2ccccc2)CC1 69846753 CXPSPWQRNHYUJE-AWEZNQCLSA-N 346.349 1.443 0 40 EDAB C[C@H](SCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1F 69813284 HGHMKXOPDDMDMF-QWRGUYRKSA-N 331.434 1.923 0 40 EDAB CC(C)Oc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c(F)c1 69846592 DGCYCFYIBSRMQV-JTQLQIEISA-N 330.381 1.922 0 40 EDAB CCC(CC)(CCCNC(=O)[C@@H](C)S(C)(=O)=O)C1OCCO1 69845206 NTPBMQDUIWXWIZ-GFCCVEGCSA-N 335.466 1.495 0 40 EDAB Cn1cc(CN2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)cn1 69818651 PMEDYPCGSQXKMT-QGZVFWFLSA-N 348.422 1.117 0 40 EDAB COc1ncccc1NC(=O)C(=O)NC[C@@H]1CCCN2CCCC[C@@H]12 49543675 QIYKAIKOCJOMFN-ZFWWWQNUSA-N 346.431 1.409 0 40 EDAB biogenic CCN1C[C@H](C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1=O 64521520 AFJQUAWAGOTILC-HUUCEWRRSA-N 349.500 1.945 0 40 EDAB COC(=O)c1ccc2c(=O)[nH]c(Cc3ccccc3C(=O)O)nc2c1 5072586 ORZHVONLWFVLRA-UHFFFAOYSA-N 338.319 1.999 0 40 EDAB Cc1cccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1 49736965 KOBNJVYMQMNZIB-KRWDZBQOSA-N 339.505 1.545 0 40 EDAB Cc1ncc2c(n1)CN(c1ncnc3c1nnn3-c1ccccc1)CC2 69977356 BYMIHJPMJBKEJN-UHFFFAOYSA-N 344.382 1.872 0 40 EDAB Cn1nnnc1SCc1cc2c(cc1Br)OCO2 5215842 RGNKWORHCLLVFH-UHFFFAOYSA-N 329.179 1.994 0 40 EDAB C[C@@H](Cc1nc2ccccc2s1)NC(=O)CN1CCC[C@H](O)C1 65493061 NXGPQVOLVVVQQH-STQMWFEESA-N 333.457 1.800 0 40 EDAB C[C@@H]1Cc2ccccc2N1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 65457015 GACDSFXQAHYQLX-SNVBAGLBSA-N 340.383 1.088 0 40 EDAB COc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccco2)ccc1OCC(N)=O 65477349 NMEASJCVNJOFLH-STQMWFEESA-N 344.367 1.572 0 40 EDAB Cc1cc(C)c(CNC(=O)NCCC(=O)NC2CCCC2)c(=O)[nH]1 65531241 VCVCTMTXVHPRPN-UHFFFAOYSA-N 334.420 1.240 0 40 EDAB CCN1CCC[C@@H](NC(=O)CCn2ncc(=O)c3ccccc32)C1 65591464 SRMGTDUFNBMGBA-CQSZACIVSA-N 328.416 1.387 0 40 EDAB Cc1nnc(SCC(=O)Nc2nc3ccccc3s2)[nH]c1=O 5387161 VYENIHYHIPKANX-UHFFFAOYSA-N 333.398 1.814 0 40 EDAB O=c1c2ccccc2nc(Sc2ccc3nnnn3n2)n1C1CC1 14135091 QBWYJOCJSJWIEE-UHFFFAOYSA-N 337.368 1.715 0 40 EDAB CC(C)n1nccc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1 6509716 HOWQEAIMFDFBEP-UHFFFAOYSA-N 345.359 1.750 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(Cc2cccnc2)CC1 70883400 ZKQFZODCBMOHNX-DOTOQJQBSA-N 333.432 1.310 0 40 EDAB C[C@H](OC(=O)c1cc[n+]([O-])cc1)C(=O)Nc1ccc2c(c1)OCCO2 5961776 YWHRHCJSTIAFFO-NSHDSACASA-N 344.323 1.275 0 40 EDAB C[C@H](SCc1cccc(F)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 15492623 VAYNWNKWCJYRNV-GXFFZTMASA-N 331.434 1.751 0 40 EDAB COc1ccc(Cl)cc1NCC(=O)N[C@H](C)CN1CCOCC1 69142111 CIXPRFOEQFOXSM-GFCCVEGCSA-N 341.839 1.597 0 40 EDAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccnc1-n1cccn1 69195192 HKHNKNXHVKQYRE-LBPRGKRZSA-N 328.376 1.400 0 40 EDAB Cc1nc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)sc1C 9314659 GUKDICMPQUHRCX-UHFFFAOYSA-N 336.417 1.953 0 40 EDAB COc1cc(C[C@H]2NS(=O)(=O)c3ccccc3[C@H]2O)ccc1O 9576234 HZJAOOQVUXJFHN-MLGOLLRUSA-N 335.381 1.337 0 40 EDAB Cc1nc(C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c[nH]1 71893236 CIKMDTWFVALDMN-QGZVFWFLSA-N 341.371 1.306 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2ccc(Cl)cc2)C1 71820006 QDXFLGIOZLMWJM-OCCSQVGLSA-N 343.832 1.675 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@H]3Cc4cccc(F)c4O3)CCO2)n1 83829836 YOSGXRGXROJCFT-CHWSQXEVSA-N 346.362 1.410 0 40 EDAB Cc1ccc(CNC(=O)NCC2(CS(C)(=O)=O)CC2)cc1F 84183266 CPNAQXRQRGYOEY-UHFFFAOYSA-N 328.409 1.758 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)n1 72279935 LHKTVKLMTDRIAF-HOTGVXAUSA-N 347.463 1.672 0 40 EDAB CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCOC2)c1 72275566 QJOVKFBIYRUDRT-NSHDSACASA-N 329.393 1.917 0 40 EDAB Cc1cc2ncn(C[C@@H](O)CN3CCn4c(C)nnc4C3)c2cc1C 72253005 KVDBTFKZMJKJKJ-HNNXBMFYSA-N 340.431 1.430 0 40 EDAB C[C@H](NCc1nnc2n1CCCC2)C(=O)NCCc1cccs1 72299727 NQHLSELNBVJVLS-LBPRGKRZSA-N 333.461 1.513 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1Cc3ccccc3C(=O)O1)C2 97198808 OHXBSPNWIDCQGC-HIFRSBDPSA-N 325.368 1.404 0 40 EDAB COC[C@@H](C)N1CCN(S(=O)(=O)CCc2ccccc2)CC1 78048934 HQJZNGPHVMFTKG-OAHLLOKOSA-N 326.462 1.211 0 40 EDAB CC[C@@H]1CN(C(=O)Cc2cn3ccsc3n2)C[C@H]1N1CCOCC1 84735909 DKYJWWANAKBJBG-UKRRQHHQSA-N 348.472 1.508 0 40 EDAB C[C@H](N[C@@H](C(=O)N1CCOCC1)c1ccccc1)C1CCOCC1 95416367 GSHUBCCFPFNGGA-MAUKXSAKSA-N 332.444 1.991 0 40 EDAB CC[C@](C)(CC(=O)O)NC(=O)Cn1cc(Br)ccc1=O 95424864 ZXWZAKDRZZXJFK-CYBMUJFWSA-N 345.193 1.370 0 40 EDAB C[C@H]1C[C@@H](NCc2ccccc2OCCN2CCOCC2)CN1C 95421118 PZCPZEUSNFAITD-FUHWJXTLSA-N 333.476 1.580 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)n1 78889597 YLNONTARWPGJKB-GXTWGEPZSA-N 345.403 1.691 0 40 EDAB CO[C@H](CNS(=O)(=O)c1cn(C)cn1)c1ccc(Cl)cc1 78904082 WSFJTEBPEBZDNH-GFCCVEGCSA-N 329.809 1.740 0 40 EDAB CNC(=O)c1cccnc1NC[C@H](O)CN1CCc2ccccc2C1 89392121 DPGNBKJBEBQEMJ-INIZCTEOSA-N 340.427 1.272 0 40 EDAB CN1CCCN(c2ccc(CNC(=O)NCC3CCC3)cn2)CC1 89382471 AJCTYODHTNJOJD-UHFFFAOYSA-N 331.464 1.823 0 40 EDAB CS(=O)(=O)C1(CNCc2cccc(-n3cccn3)c2)CCOCC1 89484158 ZYWYOGOJFZBNOQ-UHFFFAOYSA-N 349.456 1.556 0 40 EDAB NC(=O)[C@H]1CC[C@@H](CNc2nccc(OCc3ccccc3)n2)O1 89601368 JKKZVGRHURUEFA-UONOGXRCSA-N 328.372 1.500 0 40 EDAB Cc1ccc(CCC(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)o1 89652905 SAAPGPNZHAEJMI-AWEZNQCLSA-N 327.384 1.947 0 40 EDAB COc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1F 30583846 NDLFNINARFCZIN-GFCCVEGCSA-N 344.408 1.378 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2cn(C)nc2C)n1 36615111 JHKQOPARHQVRGH-JTQLQIEISA-N 325.438 1.156 0 40 EDAB COc1cccc(C(=O)NCC2(N3CCOCC3)CCOCC2)c1 521394782 PLXLOVGTUMKNNC-UHFFFAOYSA-N 334.416 1.306 0 40 EDAB COc1c[nH]c(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1=O 524733921 DJURSPPABKKGTN-UHFFFAOYSA-N 329.356 1.052 0 40 EDAB CN(Cc1ccccc1)S(=O)(=O)c1cncc(Cl)c1NN 72210752 NBPPIKAEKQBGAK-UHFFFAOYSA-N 326.809 1.841 0 40 EDAB CC(=O)N1CCC[C@H](Cc2nccnc2C(=O)NC2CCCC2)C1 72387202 MPMSEARJXAYSIN-CQSZACIVSA-N 330.432 1.950 0 40 EDAB C[C@H](C1CC1)N(C)S(=O)(=O)NC[C@@H](c1ccccc1)N(C)C 79311920 SZCGKXXHMTYJPA-CJNGLKHVSA-N 325.478 1.854 0 40 EDAB COc1cc(CCNC(=O)c2c(C)c(C)nn(C)c2=O)ccc1C 78145868 STGWQEULOFSHBG-UHFFFAOYSA-N 329.400 1.687 0 40 EDAB O=C(C1CCC1)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O 72325109 YLZFVIKCNMYHAC-GFCCVEGCSA-N 333.417 1.282 0 40 EDAB COc1ccc(-c2csc3c2c(N)nc(=O)n3CC(N)=O)cc1 71282177 HXRIGLCRPIDWAV-UHFFFAOYSA-N 330.369 1.201 0 40 EDAB CCN(C)S(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)no1 72710492 HZFQSKYNGUSACS-UHFFFAOYSA-N 330.797 1.676 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)c1ccoc1)Oc1ccc(F)cc1 560416091 ZYLPVSFRQLVQGO-GFCCVEGCSA-N 329.305 1.229 0 40 EDAB COCCn1nnnc1C(C)(C)NCCc1c[nH]c2ccccc12 33362673 PSTZITWLLNHZGT-UHFFFAOYSA-N 328.420 1.868 0 40 EDAB COc1cc(OC)cc(C(=O)NCc2cc(C)nc(N(C)C)n2)c1 189959126 AHFDFJGKOAVBQN-UHFFFAOYSA-N 330.388 1.798 0 40 EDAB CC(C)n1cc(CNC(=O)[C@@H]2CCN(Cc3ccccc3)C2)nn1 565666191 KSQWTEYKCRBHQI-MRXNPFEDSA-N 327.432 1.997 0 40 EDAB COCCNc1ccc(C[C@@H]2CCCN(Cc3nccn3C)C2)nn1 72387334 BENDMSZVUSPGEW-HNNXBMFYSA-N 344.463 1.723 0 40 EDAB O=C(NC[C@@H](O)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 70639388 YKVGAKJNSCGPNS-ZDUSSCGKSA-N 334.322 1.623 0 40 EDAB O=C1CN(C(=O)c2cc(O)nc(C3CC3)n2)CN1Cc1ccccc1 567288296 LFELJXVQLUTEBY-UHFFFAOYSA-N 338.367 1.502 0 40 EDAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCc1ccc2c(c1)CCC2 77345071 LLGKNVXFLHNZRK-STQMWFEESA-N 336.457 1.892 0 40 EDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(OC)ccc1OC 79042313 PBZFRJVIRUFCNN-NSHDSACASA-N 329.418 1.599 0 40 EDAB CCC[C@@H](Cc1ccccc1)NC(=O)N1CCN2C(=O)NC[C@@H]2C1 133461729 FUXWAYMARHMVJH-JKSUJKDBSA-N 330.432 1.817 0 40 EDAB CCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2ccnn2C)nc1C 329557045 HOLPVBSGOGKJOG-CQSZACIVSA-N 337.449 1.861 0 40 EDAB CCNC(=O)C1CN(C(=O)c2cc(F)cc(Br)c2O)C1 195577518 BFVNNOAOSLLECK-UHFFFAOYSA-N 345.168 1.502 0 40 EDAB Cc1nc2ccccc2n1CCN1CCCN(S(C)(=O)=O)CC1 195552262 OYPZYFLUXOJFAC-UHFFFAOYSA-N 336.461 1.312 0 40 EDAB CC(C)NC(=O)CCNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)c1 81652326 VFBGEKFBMSWZCO-UHFFFAOYSA-N 345.374 1.621 0 40 EDAB CCOc1ncccc1C(=O)N1CC[C@H](Oc2ccc(C)nn2)C1 225427605 LDFNNCUMAFUPNV-ZDUSSCGKSA-N 328.372 1.872 0 40 EDAB COc1ccc(CC(=O)N2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)cc1 96182405 DBGNGSNIRXIBFK-IYBDPMFKSA-N 338.411 1.623 0 40 EDAB O=C(c1cnccn1)N1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2C1 96182306 JLNGQLIUKFVGRR-GASCZTMLSA-N 326.375 1.820 0 40 EDAB COc1ccc(Cc2nc(NC(=O)c3[nH]nc4c3CCC4)n[nH]2)cc1 95475140 LAYUSFOYPWTIDY-UHFFFAOYSA-N 338.371 1.868 0 40 EDAB CCn1cc(NC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)ccc1=O 96454080 MNUMLINYBGIZKL-LLVKDONJSA-N 346.353 1.969 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 96229041 ILAHUFGVPYAWCH-MRXNPFEDSA-N 339.461 1.350 0 40 EDAB COc1ccccc1[C@H](CNS(=O)(=O)c1cn(C)cn1)OC 96385065 FMBJDFCYRFZUFO-ZDUSSCGKSA-N 325.390 1.095 0 40 EDAB Cc1nc(CO[C@@H]2CO[C@@]3(CCCN(C[C@@H](C)O)C3)C2)cs1 96073621 MLTMFYUSEWZAMG-KCXAZCMYSA-N 326.462 1.972 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Cc2cccnc2)C1 583619637 QUUVHWMCMKEWEZ-KGLIPLIRSA-N 327.388 1.608 0 40 EDAB Cn1cc(CN2CCc3c(CNC(=O)C4CC4)cncc3C2)cn1 96189492 VVVPWGAXBMIZJH-UHFFFAOYSA-N 325.416 1.400 0 40 EDAB COCCN1CCC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1=O 96157780 NPKLKWWZQICGIF-UHFFFAOYSA-N 348.418 1.856 0 40 EDAB CCCCN(C)S(=O)(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 96416850 WJMWYNJCTJGNJU-UHFFFAOYSA-N 326.422 1.266 0 40 EDAB CC(C)NC(=O)N1CCC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96074341 MTBUNASFUMGBFT-QGZVFWFLSA-N 345.403 1.749 0 40 EDAB C[C@H](CC(=O)N1CCCCCC1)NC[C@@H](C)N1CCOC[C@H]1C 245281214 AIYYZTWMEXNOQI-BRWVUGGUSA-N 325.497 1.866 0 40 EDAB CCc1cc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)on1 257255398 KHHPHQGFTYFVBC-UHFFFAOYSA-N 343.431 1.841 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H](O)[C@@H]2O)cn1 257203364 APQUYIQGDMXGAZ-BRSBDYLESA-N 342.395 1.452 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)NCCCCO)C1 585091110 YEUYBQYVCBKODL-GUYCJALGSA-N 326.437 1.912 0 40 EDAB CC(C)(C)OC(=O)N1Cc2cnc(NC(=O)[C@H]3CCCO3)nc2C1 585124714 OHKJFJRVEBQKFX-GFCCVEGCSA-N 334.376 1.845 0 40 EDAB NC(=O)c1cc(N2CC[C@](O)(c3ccc(F)cc3)C2)nc(Cl)n1 585132988 LJXPJUNIGPIKFZ-OAHLLOKOSA-N 336.754 1.466 0 40 EDAB CN(C)c1cccc(CN2CCC[C@H]2CNC(=O)c2cnn(C)c2)c1 585136640 NWFZZLBQUNOISP-SFHVURJKSA-N 341.459 1.881 0 40 EDAB Cc1cccc(C)c1OCCC(=O)N[C@H](CO)[C@@H](O)c1ccccn1 585134473 VMZKLNXCBKGUAY-AEFFLSMTSA-N 344.411 1.678 0 40 EDAB Cc1cnn(CC(=O)N2CCO[C@H](CCc3cc(C)ncn3)C2)c1 257300592 RUXQXHPFXFBXRN-MRXNPFEDSA-N 329.404 1.150 0 40 EDAB CC(C)(C)c1noc(CCCC(=O)NC[C@H]2CCS(=O)(=O)C2)n1 41810934 DVYPZMHHDQKURK-LLVKDONJSA-N 343.449 1.241 0 40 EDAB Cc1csc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)c1 257315999 VDRGALAJZMWZFA-QGZVFWFLSA-N 346.456 1.950 0 40 EDAB CN(C)[C@H](CNC(=O)c1cccnc1N1CCOCC1)c1ccco1 41976223 IXCIFVRSWPQLDU-OAHLLOKOSA-N 344.415 1.544 0 40 EDAB Cc1cnn(CC(=O)N2CCOC[C@@H]2CCc2nccnc2C)c1 257249705 JJKGSGRIOUEDSX-HNNXBMFYSA-N 329.404 1.150 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1N(C)C 262697132 XVEVDWOKXDHYTK-CYBMUJFWSA-N 326.418 1.689 0 40 EDAB COC(=O)C[C@H](CNC(=O)CN1Cc2ccccc2C1=O)C1CC1 598269128 CDFNGSZBBVLMBJ-CQSZACIVSA-N 330.384 1.348 0 40 EDAB Cc1c(-c2noc([C@H]3CC[C@@H]4CCCCN43)n2)c(O)nc(=O)n1C 1615003621 YAPTXLMSYJHMRL-WDEREUQCSA-N 331.376 1.534 0 40 EDAB COc1cccc([C@H](CNC(=O)C(=O)NCc2ccccc2)OC)c1 96390435 UGTWUUCIXFITFI-KRWDZBQOSA-N 342.395 1.815 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@@H](CNC(=O)c3cccn3C)CO2)C1 575403684 JYDINHFBZXQBLT-ILXRZTDVSA-N 345.443 1.419 0 40 EDAB CN(Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCc2cccnc2)[C@@H]1O 585280633 MLIWKUAKGZDHRR-QRVBRYPASA-N 339.439 1.969 0 40 EDAB C[C@@H]1CN(C(=O)NC[C@H](C(=O)O)C2CCC2)C[C@](C)(C(F)F)O1 665317268 ZWEBINAOVBEWHG-BPYAMOTFSA-N 334.363 1.941 0 40 EDAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O)c1cccc(F)c1 585262304 OBOIXMGHZZECNE-NCOADZHNSA-N 349.333 1.636 0 40 EDAB O=C(CC1CCOCC1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585268977 GGONMMRKQKJDRT-IBGZPJMESA-N 333.428 1.636 0 40 EDAB Cn1cncc1CN1CCC[C@]2(C1)CN(Cc1cncs1)C2=O 585099325 FBUUVMMFQBCKBT-INIZCTEOSA-N 331.445 1.501 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCC(Oc2nncs2)CC1 827913455 KGFLRMRRBDAELB-UHFFFAOYSA-N 347.396 1.879 0 40 EDAB COc1ccc(CCN2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 66892910 UMIQOEAKTTWRFN-GOSISDBHSA-N 332.444 1.951 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1csc(S(N)(=O)=O)c1 68016392 WNPMEWXYGGVGSX-ZYHUDNBSSA-N 346.474 1.721 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1CCC[C@H](Cn2cncn2)C1 69737483 NQYBDKJBOCENOX-AWEZNQCLSA-N 333.461 1.710 0 40 EDAB CN(CC(=O)OC[C@@H]1CCCCO1)S(=O)(=O)c1ccccc1 65539266 DMFBJZZAZVJDLU-ZDUSSCGKSA-N 327.402 1.419 0 40 EDAB COc1cc(C(=O)O[C@H]2C[C@@H](C)OC2=O)c(N)cc1OC(F)F 95350350 FEDZBHWDRJSIJK-KBUNVGBDSA-N 331.271 1.740 0 40 EDAB Cn1cnnc1CNS(=O)(=O)c1ccc(Br)c(F)c1 96427678 NUGZPYJSKYNJEZ-UHFFFAOYSA-N 349.185 1.195 0 40 EDAB O=C(NC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)CCc1ccccc1F 1615545516 AMQCBVFRWUSUFJ-ULQDDVLXSA-N 346.402 1.795 0 40 EDAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCCc1ccccc1 12236431 VVIUCRKCOPOHKS-AWEZNQCLSA-N 329.425 1.948 0 40 EDAB Cc1nc2cc([C@@H]3CCCN3C(=O)c3ccnn3C)nn2c(O)c1C 12336997 BIISPAIKGADCSF-ZDUSSCGKSA-N 340.387 1.763 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)c1cn(C)nc1C 13226898 QYAWQPHJFXYPMC-SWLSCSKDSA-N 336.399 1.982 0 40 EDAB COC(=O)c1cccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)c1 14110544 ZCBIALHGXITHOM-UHFFFAOYSA-N 339.351 1.765 0 40 EDAB CN1CCCN(C(=O)C(=O)Nc2ccccc2CC(F)(F)F)CC1 162077808 TWKZTKQPGLOBNH-UHFFFAOYSA-N 343.349 1.894 0 40 EDAB CCS(=O)(=O)NC1CCN(c2nnc(C(F)(F)F)s2)CC1 153618304 GTSYTAKRUDCQSD-UHFFFAOYSA-N 344.384 1.465 0 40 EDAB Cc1cccn(CC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c1=O 583621247 DQIULSKYFXSWDC-CJNGLKHVSA-N 348.349 1.769 0 40 EDAB COC(=O)Cc1cc(=O)[nH]c(SCc2ccc(C(=O)OC)cc2)n1 7029476 CFOCGWPNFFNWAQ-UHFFFAOYSA-N 348.380 1.564 0 40 EDAB O=C(NCC(=O)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1)c1ccccc1 1888928886 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1.676 0 40 EDAB Cc1cc(C)n([C@@H](CNC(=O)c2cn(C)nn2)c2ccsc2)n1 575612962 DWDIWFSBDRFACY-AWEZNQCLSA-N 330.417 1.709 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2cnsn2)CC1 585148705 CCZJYFHNOHEGGP-UHFFFAOYSA-N 346.384 1.327 0 40 EDAB Cc1cccc(NC(=O)C(=O)NC[C@]2(O)CCc3ccccc3C2)c1 85560431 VUBFHTJKXXLVTP-FQEVSTJZSA-N 338.407 1.970 0 40 EDAB CCN1C[C@@H](C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)CC1=O 32357874 IPKOAISZKOOIDK-INIZCTEOSA-N 343.427 1.148 0 40 EDAB O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N(Cc1ccco1)C1CC1 40497024 VOXPALLRWUBQHG-UHFFFAOYSA-N 347.396 1.268 0 40 EDAB CC[C@@](C)(CNS(=O)(=O)N1CCC[C@H](C)C1)N1CCOCC1 40520564 XNDGWIMUORBUJA-GJZGRUSLSA-N 333.498 1.054 0 40 EDAB CCn1cnnc1CNC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 40536145 KOYWSYBXOOXQIL-BETUJISGSA-N 344.419 1.237 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCn2c(C)csc2=O)n1 40541178 URCRJVARJWCGBE-NSHDSACASA-N 336.461 1.874 0 40 EDAB O=C(NCCc1ccccn1)Nc1ccc(N2CCOCC2)nc1 40540782 PSERJIFKKDIOAW-UHFFFAOYSA-N 327.388 1.677 0 40 EDAB 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C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCO[C@H](C)C1 72304230 MWPAFCAAWUWMAQ-DLBZAZTESA-N 346.475 1.627 0 40 EDAB COc1ccc(-n2cc(O)c(C(=O)NCCc3ccc[nH]3)n2)cc1 97235691 ILZZIKKATLAYCM-UHFFFAOYSA-N 326.356 1.887 0 40 EDAB Cn1cc(S(=O)(=O)NCCSc2ccc(F)c(F)c2)cn1 76065250 YXGLPTZMCVDFBP-UHFFFAOYSA-N 333.385 1.769 0 40 EDAB CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccc(Cn2cccn2)cc1 84456508 SKDFFPTXRQELIA-INIZCTEOSA-N 341.415 1.920 0 40 EDAB CCCN(Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 84755240 VTPBDZZNFOTJTD-AWEZNQCLSA-N 325.430 1.857 0 40 EDAB CN(C)c1cccc(CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 98020598 RAZPWDRXXMVFJK-CVEARBPZSA-N 330.432 1.705 0 40 EDAB C[S@](=O)c1nncn1CC(=O)c1cccc(Br)c1 78989654 KHSWYUHUUGPZNL-GOSISDBHSA-N 328.191 1.661 0 40 EDAB OC[C@H]1CCCN1C[C@@H]1CCCN1Cc1ncn(-c2ccccc2)n1 95983396 WRNCQGBNUFRKPX-ZWKOTPCHSA-N 341.459 1.688 0 40 EDAB CC[C@@H](c1ccccc1)N1CCN(c2ccc(C(N)=O)nn2)CC1 75055089 IFTMWQMVWUAUQF-INIZCTEOSA-N 325.416 1.849 0 40 EDAB C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccncc1 36644349 OWKRQWJUCNWCNV-GFCCVEGCSA-N 345.424 1.895 0 40 EDAB O=C(c1ccn(C2CCCC2)n1)N1CCC[C@@](O)(Cn2ccnn2)C1 515681105 IIILORUBFDSMSA-KRWDZBQOSA-N 344.419 1.257 0 40 EDAB CC(=O)N1CC[C@@H](CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 187716275 SAXLHLABWRHJEA-HIFRSBDPSA-N 338.473 1.951 0 40 EDAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(OCC(F)(F)F)nc1 32931163 QJKXYSYASWRXJZ-UHFFFAOYSA-N 345.277 1.500 0 40 EDAB COCCNC(=O)N1CC[C@@H](Oc2ncccc2Br)C1 238877359 OJUKYJWPHNJXEU-SNVBAGLBSA-N 344.209 1.653 0 40 EDAB Cn1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc2cc(Cl)ccc21 79485152 BCZHSXKVZGQKEC-LLVKDONJSA-N 326.805 1.749 0 40 EDAB Cn1cc(C(=O)N2CCN(c3cnc4ccccc4n3)CC2)ccc1=O 1056080947 XJSUGYVMGCHACS-UHFFFAOYSA-N 349.394 1.291 0 40 EDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc(C2CC2)cc1 562966983 MYJJVZWIAHYYIN-NHYWBVRUSA-N 339.413 1.722 0 40 EDAB Cc1nonc1NS(=O)(=O)c1ccc(OCCn2cccn2)cc1 225435792 IMNJOGWNLQEVPX-UHFFFAOYSA-N 349.372 1.454 0 40 EDAB COc1ccc(CCNC(=O)N2CC[C@H](Oc3cccnn3)C2)cc1 225418308 URFQBOBBNDHIPZ-INIZCTEOSA-N 342.399 1.891 0 40 EDAB Cc1cnc2n(c1=O)C[C@@H](C(=O)NCCc1ccc(F)cc1)CS2 85473753 QYRYCOAMZDCLNP-CYBMUJFWSA-N 347.415 1.772 0 40 EDAB Cc1nc(-c2cc(C(=O)N3CCCS3(=O)=O)n(C)c2)cs1 195570935 SXVPRQIACZWUHH-UHFFFAOYSA-N 325.415 1.633 0 40 EDAB CNC(=O)CN1CCC(COCc2cc(OC)cc(OC)c2)CC1 75156553 GEJMEXRWEWEYGY-UHFFFAOYSA-N 336.432 1.678 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NC[C@](C)(O)CCSC 75157573 USTODDJIWJFCEJ-CYBMUJFWSA-N 337.438 1.617 0 40 EDAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccc(Cl)cc2)n1 224190220 OAYUQUWVNDGICQ-UHFFFAOYSA-N 340.836 1.983 0 40 EDAB c1ccc(CN2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)nc1 96052383 ATPDMWIPHMPXRB-MSOLQXFVSA-N 328.416 1.728 0 40 EDAB O=C(CN1CCOc2ccc(Cl)cc21)NCCCn1cccn1 96427130 QWMOPNKFQGEDNQ-UHFFFAOYSA-N 334.807 1.942 0 40 EDAB C[C@@H](CNC(=O)NC[C@@H]1CN(C)CCN1C)Sc1ccccc1 96440123 ORXRRIIBIMFKOO-LSDHHAIUSA-N 336.505 1.712 0 40 EDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCc1cccnc1 96222407 ZSHSKLZNNWYAIL-HNNXBMFYSA-N 338.367 1.209 0 40 EDAB biogenic c1cnc(N2CCOC[C@@]3(CCCN(Cc4csnn4)C3)C2)nc1 96076532 AFMZCBWQTVIIMJ-MRXNPFEDSA-N 346.460 1.447 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)[nH]n1 96222618 XEFIPDCJXRFMAN-SUMWQHHRSA-N 343.387 1.351 0 40 EDAB CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3ccc(C)nc3)C[C@@H]2N1C(C)C 96182664 RUVWMOWNNMRVED-OAGGEKHMSA-N 330.432 1.059 0 40 EDAB c1ccc(COC[C@H]2CN(C[C@@H]3CCOC3)Cc3ccnn3C2)nc1 96044201 MRVOFLPJMVKBNV-IRXDYDNUSA-N 342.443 1.963 0 40 EDAB Cn1cc(N2CC[C@]3(CCN(C(=O)c4cccn4C)C3)C2=O)cn1 96159556 DCEUAERDZCIVOX-KRWDZBQOSA-N 327.388 1.028 0 40 EDAB COc1cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)on1 583621216 VLTPIHBVMBVNED-XHDPSFHLSA-N 333.392 1.230 0 40 EDAB Cc1occc1C(=O)N1Cc2nccn2C[C@H](CN2CCOCC2)C1 96188508 SMFNLRJKWKHNQE-HNNXBMFYSA-N 344.415 1.389 0 40 EDAB C[C@@H]1[C@@H](CO)[C@@H]2C[C@@H]3c4[nH]c5ccc(O)cc5c4C[C@H]([C@H]2CO)N31 1077996681 LCWCFXWKNADLOU-HPGFYZTRSA-N 328.412 1.780 0 40 EDAB biogenic COc1cccc(CC(=O)N2CCN(Cc3cccn3C)CC2)c1 92536397 ZZOIGDXVIXQYFW-UHFFFAOYSA-N 327.428 1.921 0 40 EDAB O=S(=O)(c1c[nH]cn1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 96500590 RNRHYTKVEXRXGC-ZDUSSCGKSA-N 325.365 1.436 0 40 EDAB CN(C)CCNC(=O)C(=O)Nc1cccc(Cl)c1-n1cccn1 96410733 MVXIVWYPRBJBOV-UHFFFAOYSA-N 335.795 1.142 0 40 EDAB C[C@H](C(=O)N[C@H]1CCN(C)C1=O)c1ccc(Br)s1 96431195 WHDJWRYDRYWHBP-YUMQZZPRSA-N 331.235 1.961 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(OCc3nnnn3C)cc2)C1 96101300 SLGAXLBFAATXQD-BETUJISGSA-N 329.404 1.907 0 40 EDAB O=C(C[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2O1)N1CCCCO1 96219615 JIUVYXBFHNTONO-USXIJHARSA-N 331.416 1.615 0 40 EDAB CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1ccccc1-n1cnnn1)CC2 248162010 MDZVDIUOBLLOTF-GJZGRUSLSA-N 340.431 1.750 0 40 EDAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3ccco3)CC2)C1 247820769 CZYIDIBSLJYYPC-HNNXBMFYSA-N 336.432 1.727 0 40 EDAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)[C@@](C)(O)CO3)cn1 257230556 GCVRRUDEPKANJT-WMZOPIPTSA-N 347.459 1.466 0 40 EDAB COCCOCC(=O)NCc1cc(OC)c(O)cc1Br 585089893 CDZWPIJATPBLNN-UHFFFAOYSA-N 348.193 1.443 0 40 EDAB Cc1ncoc1C(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 257309303 UAJWQCRSWDGXGM-INIZCTEOSA-N 334.351 1.278 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cncnc3)CCO2)n1 257324663 WPQFQJHDELIQLR-INIZCTEOSA-N 327.388 1.460 0 40 EDAB Cc1nnc(O)c(C(=O)NCCOc2ccc(C(=O)O)cc2)c1C 539686909 KWODSQCSQXUBJM-UHFFFAOYSA-N 331.328 1.306 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NCCCc1cnoc1 253402455 OJRKQQNWNGEHOJ-UHFFFAOYSA-N 330.387 1.434 0 40 EDAB C[C@@]1(CN2CCN(C(=O)Cn3cnnn3)CC2)C[C@H]1c1ccccc1 585117572 LVZXIQCXNFWEDB-WMZOPIPTSA-N 340.431 1.011 0 40 EDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1nc2cnccc2s1 585110736 MMHJZLAJHRUDAW-OAHLLOKOSA-N 334.401 1.059 0 40 EDAB CC[C@H](Nc1cccnc1Cl)C(=O)NCC1(C(=O)OC)CC1 585132032 NBGPRSUZTMAAAI-JTQLQIEISA-N 325.796 1.995 0 40 EDAB Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCN(C(N)=O)C1 585115245 SKKDIBNTKIFZRE-JTQLQIEISA-N 331.825 1.327 0 40 EDAB COCCOc1cccc(C(=O)NC2CC(O)(C(F)(F)F)C2)c1 585130149 JHGLBIWCKJMURX-UHFFFAOYSA-N 333.306 1.897 0 40 EDAB COCCOc1cccc(CNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1 252503227 UZSLTRNWNDIIEE-VGAPYMQISA-N 346.427 1.623 0 40 EDAB CC(C)N1C(=O)CO[C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)CC[C@@H]21 257330790 XQALKANHFRBVQO-GJZGRUSLSA-N 346.431 1.139 0 40 EDAB Cc1ncc(-c2cncc([C@@H]3CCCN(C(=O)CN(C)C)C3)n2)n1C 257211310 BYKSRINDUUFZSS-CQSZACIVSA-N 342.447 1.453 0 40 EDAB O=C(COc1ccccc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257321351 WBHLRZDFMSIHGJ-HUUCEWRRSA-N 340.370 1.368 0 40 EDAB O=C(NCCCc1cnc2ncnn2c1)c1cc(-c2ccco2)n[nH]1 252535977 HIVYYRAVFSCQDH-UHFFFAOYSA-N 337.343 1.470 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)cc1 257262336 LKZKFZJXVSGIQO-ROUUACIJSA-N 331.460 1.208 0 40 EDAB CCN(CC)c1ccc(C(=O)NC[C@@H]2CCNCC2(F)F)cn1 1615051105 RVELTJPUZUSNFF-ZDUSSCGKSA-N 326.391 1.902 0 40 EDAB O=C(NC1C[C@@H]2CC[C@H](C1)S2(=O)=O)c1ccc(C(F)(F)F)cn1 1615038714 HFMAXGNNWHCHST-FGWVZKOKSA-N 348.346 1.938 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H](CN[C@@H]2C(=O)NCC2(C)C)C2(CC2)C1 1615001053 KPJGYSYBMRPNDM-CHWSQXEVSA-N 337.464 1.748 0 40 EDAB Cc1cn2nnc(C(=O)N3CCO[C@@H](c4ccccc4)C3)c2c(O)n1 1625093162 KLJATBXEDFOXEM-CYBMUJFWSA-N 339.355 1.352 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1cnn([C@@H]2CCOC2)c1 96123028 KNGZLMJIRWPXQG-CYBMUJFWSA-N 339.355 1.193 0 40 EDAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)Cn2ncccc2=O)C1 575414518 JHTNKUXWFFNEQB-AWEZNQCLSA-N 337.383 1.375 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)C3CCC3)C[C@H]12)c1cscn1 575402927 DUFKZRIYJMJOFF-OUCADQQQSA-N 335.429 1.146 0 40 EDAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(=O)/C=C/CN2CCOCC2)C1 585291198 MZNBQOSRDIUSCB-UKZKYTFVSA-N 349.475 1.124 0 40 EDAB COC(=O)C[C@@H]1CCCN1C(=O)C[C@@H](O)COCc1ccccc1 585140915 NAXNHQZJQFZUIB-JKSUJKDBSA-N 335.400 1.508 0 40 EDAB CNC(=O)C[C@@]1(OC)COCCN(C(=O)c2cccc(Cl)c2)C1 585281055 SCWXQZFYLDZHQM-INIZCTEOSA-N 340.807 1.334 0 40 EDAB O=C(Cc1c(F)cccc1Cl)NCCn1nc2c(cc1=O)CCC2 585150629 ZLFIGOGJDCRBHY-UHFFFAOYSA-N 349.793 1.883 0 40 EDAB Cn1cc(CN2Cc3ncn(C)c3[C@H](C(=O)NCC3CCC3)C2)cn1 585110830 LPFZHNBTOALEGP-OAHLLOKOSA-N 342.447 1.169 0 40 EDAB CC(C)CN(CC(F)(F)F)S(=O)(=O)c1cc(C(N)=O)n(C)c1 56058531 GKLJJNQMPBFMBW-UHFFFAOYSA-N 341.355 1.333 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)/C=C/c2cccs2)CC1 69417803 KCHIHSHRWWLJJG-NFAHFFEMSA-N 333.457 1.702 0 40 EDAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCc1ccccc1 96375562 AFMQWYJNOHVTFO-XYPWUTKMSA-N 336.457 1.979 0 40 EDAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(CC)n2N)cc1 5555158 KBBCCQUUWPGDOU-UHFFFAOYSA-N 349.416 1.462 0 40 EDAB COCCNC(=O)Cn1nc(C)n2c(cc3sc(C)cc32)c1=O 12115347 DCMGVFVKUOBJFD-UHFFFAOYSA-N 334.401 1.090 0 40 EDAB Cc1ccn(CCNC(=O)Cn2cnc3sc(C)cc3c2=O)n1 12199084 FXQXHLQNBZDVJS-UHFFFAOYSA-N 331.401 1.088 0 40 EDAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)cc2n1 12276500 ITZWHXFURPVZKK-KGLIPLIRSA-N 330.388 1.840 0 40 EDAB COCCc1ncc(CN2CCC(O)(c3cccnc3F)CC2)cn1 12327368 BOCPIGSVZJXRPT-UHFFFAOYSA-N 346.406 1.683 0 40 EDAB CCNC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)O)c2)c1 13068785 AGMYHSAZOFFLEG-UHFFFAOYSA-N 348.380 1.935 0 40 EDAB COc1cccc2c1[C@H](O)[C@]1(O)C=CC3=C(C(=O)C[C@H](C)C3)[C@H]1[C@H]2O 14850567 KCAUKKHESDCTCZ-FUWWXODQSA-N 342.391 1.988 0 40 EDAB biogenic CCCc1cc(O)nc(SCC(=O)N2[C@H](C)COC[C@H]2C)n1 19015705 ARFYBKFIUQZGAC-GHMZBOCLSA-N 325.434 1.863 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@@H](n3ccnn3)C2)cc1C 206935219 UZVAUWIACSSHMB-CYBMUJFWSA-N 336.417 1.621 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1)C1CC1 1889108566 RNUNHSHEPUFHJM-LLVKDONJSA-N 341.502 1.678 0 40 EDAB O=S(=O)(c1cccnc1)N1CC[C@@H](COc2ccc(F)cn2)C1 1889176665 VRSBKNPIBBPTBO-GFCCVEGCSA-N 337.376 1.705 0 40 EDAB CN(C)S(=O)(=O)N1CCC(COc2ccncc2Cl)CC1 1889211956 OBNIXTAEKBSDIR-UHFFFAOYSA-N 333.841 1.632 0 40 EDAB COCCC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037841075 VOSCSDZBKFTKEW-KRWDZBQOSA-N 336.363 1.197 0 40 EDAB Cc1ncnc(C(=O)N2CC3(C[C@H](NC4CCC4)CS3)C2)c1C 2056224327 XWDFIVUCTQJPDH-AWEZNQCLSA-N 332.473 1.936 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 1565549969 LMYLHDJOBZKFLC-DZTUFKMZSA-N 330.384 1.111 0 40 EDAB C[C@@]1(C(=O)N2C[C@H]3ON=C(C(=O)NC4CCC4)[C@H]3C2)CC=CCC1 1565544596 NQUUGAJFXXVBCK-PMUMKWKESA-N 331.416 1.615 0 40 EDAB CC(C)CNC(=O)[C@@H]1C[C@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]1O2 1565545729 LPLHDQIJSYUUGT-YNEHKIRRSA-N 330.375 1.420 0 40 EDAB O=C(c1cccs1)N1CCO[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 1565542487 GSJIWVQRVKBDBI-KSSFIOAISA-N 342.420 1.873 0 40 EDAB CCOC(=O)[C@@H](CC)n1cnc2c(nnn2-c2cccc(C)c2)c1=O 5056986 SELSVPARRFWJNC-CYBMUJFWSA-N 341.371 1.800 0 40 EDAB CC(C)CNC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 12069460 YSYOQQFUVICVAC-UHFFFAOYSA-N 346.475 1.087 0 40 EDAB Cc1cc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)on1 13702020 GYSWZYGYEMVVHQ-UHFFFAOYSA-N 333.373 1.852 0 40 EDAB COc1coc(C(=O)N2CCN(c3ccccc3F)CC2)cc1=O 16850739 RCURRTDSAJXMTM-UHFFFAOYSA-N 332.331 1.750 0 40 EDAB CC[C@H](C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713880 VJSRGJMVZRZKLV-UONOGXRCSA-N 348.447 1.080 0 40 EDAB CC(C)(C)c1cc(N2CCN(c3ncnc4[nH]cnc34)CC2)ncn1 1775973137 AGVNKRUDFRJPNH-UHFFFAOYSA-N 338.419 1.767 0 40 EDAB CCCc1nnsc1C(=O)NCC1CCN(C(=O)N(C)C)CC1 390829893 HIVXTSXHDGXKMK-UHFFFAOYSA-N 339.465 1.614 0 40 EDAB CC(C)(C)CC(=O)N1CC[C@@H](c2nn(CCN)c3nccnc23)C1 19082558 HUTBXJFWJFUJDX-GFCCVEGCSA-N 330.436 1.537 0 40 EDAB O=S(=O)(NCCNc1cc(-n2cccc2)ncn1)c1ccccc1 85472194 ZTFYESSRRUAUSZ-UHFFFAOYSA-N 343.412 1.658 0 40 EDAB O=S(=O)(NCc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCO2 40162291 PLHVFVKJCPIOOA-UHFFFAOYSA-N 347.392 1.871 0 40 EDAB CNC(=O)COc1cccc(N[C@@H](C)C(=O)Nc2cc(C)on2)c1 30493490 KHCBLGWEXRUPLM-NSHDSACASA-N 332.360 1.547 0 40 EDAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc(O)nn1 31288339 UUQWSCMXOMQHHS-UHFFFAOYSA-N 341.415 1.124 0 40 EDAB CC1CCN(S(=O)(=O)N2CCN(Cc3ccco3)CC2)CC1 40496156 HWPZYOBJZBOJDW-UHFFFAOYSA-N 327.450 1.374 0 40 EDAB CC(C)COCCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 31731975 AGXGTLMHHMAOJH-UHFFFAOYSA-N 328.434 1.938 0 40 EDAB O=C(NCCOc1cccc(Cl)c1)N[C@H]1CCS(=O)(=O)C1 40539920 GEXOZMUVXNFGFE-NSHDSACASA-N 332.809 1.205 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)C2CC2)o1 40513759 GKLHWYYEKKVWRY-MLGOLLRUSA-N 343.427 1.965 0 40 EDAB COc1cc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)ccc1C 40515740 HLQLSUZZVZYAGI-CYBMUJFWSA-N 340.445 1.405 0 40 EDAB NC(=O)[C@H]1CC(C(=O)NCCCOCC2CC2)=NN1c1ccccc1 40553462 XLSUKUJBPNVMES-MRXNPFEDSA-N 344.415 1.040 0 40 EDAB O=S(=O)(NCCc1nccs1)c1ccc2c(c1)OCCCO2 51163068 BDTMALFEOSTGIM-UHFFFAOYSA-N 340.426 1.825 0 40 EDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)c1n[nH]c2ccccc12 31938114 PXVXOFNIRCCTPC-QGZVFWFLSA-N 346.456 1.501 0 40 EDAB COc1cccc(N2CCN(C(=O)c3cc(=O)c(OC)co3)CC2)c1 16850805 IEIRMCNJNSNQCS-UHFFFAOYSA-N 344.367 1.619 0 40 EDAB CCS(=O)(=O)N1CCN(c2ncnc3sc(C)c(C)c23)CC1 411918 NLLXFOWISHGUPM-UHFFFAOYSA-N 340.474 1.780 0 40 EDAB O=C(CSc1nnc(C2CC2)o1)NC[C@H]1COc2ccccc2O1 8245446 HJPLMUHPDXONHM-NSHDSACASA-N 347.396 1.995 0 40 EDAB CCn1nnc(NC(=S)NC(=O)c2cc(Cl)ccc2OC)n1 558349 DOCGQPKROLOCRN-UHFFFAOYSA-N 340.796 1.482 0 40 EDAB CCN1CCO[C@@H](CNC[C@H](O)Cn2cnc3cc(C)c(C)cc32)C1 69703078 GNMIRJBAYMLUCC-IRXDYDNUSA-N 346.475 1.324 0 40 EDAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 815533 JXOOXCCQEJUERC-LLVKDONJSA-N 346.412 1.985 0 40 EDAB CN(CC(=O)Nc1cccc(-n2cccc2)c1)[C@@H]1CCS(=O)(=O)C1 70039324 SGAHNXIVQHHNRO-MRXNPFEDSA-N 347.440 1.535 0 40 EDAB CC(C)N1C[C@@H](C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)CC1=O 32315823 AXFCXRYQSPUCKS-JTQLQIEISA-N 348.428 1.200 0 40 EDAB COc1ccc(C(=O)NC(=O)COC(=O)Cc2csc(C)n2)cc1 21234295 YQFHSQQCJQZVGB-UHFFFAOYSA-N 348.380 1.502 0 40 EDAB O=C(CCN1C(=O)c2ccccc2C1=O)NCCCn1ccnc1 4094692 ULPVGUFCPLYDIK-UHFFFAOYSA-N 326.356 1.076 0 40 EDAB COc1ccc(-c2cc(N)n([C@@H]3CCS(=O)(=O)C3)n2)cc1OC 41155283 DVXRMSNSSVOWBL-LLVKDONJSA-N 337.401 1.509 0 40 EDAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccco1 32826385 PRWDDXYIDOEZFC-WDEREUQCSA-N 347.337 1.409 0 40 EDAB Cc1cc(N)nc(SCC(=O)NC[C@H]2COc3ccccc3O2)n1 7049352 ULFWCQBMQJPLKR-NSHDSACASA-N 346.412 1.416 0 40 EDAB COc1ncccc1C(=O)N1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107721223 PPSJIFDAJPHSIH-HRCADAONSA-N 332.400 1.889 0 40 EDAB CCO[C@@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1ccc(C)cc1)CCO2 107720484 RERGYFCSNDZXOY-OAGGEKHMSA-N 325.430 1.952 0 40 EDAB COc1cc(F)ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103071655 ABUURBBDRLPNGQ-VUKUWZNJSA-N 344.342 1.580 0 40 EDAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2ccco2)N(C)C)C1 42476223 UWFAIOGCYZRTLJ-GJZGRUSLSA-N 335.448 1.893 0 40 EDAB CN(Cc1ccc(F)cc1)C(=S)NCCCN1CCOCC1 23775974 FSGOYVDITZPOKZ-UHFFFAOYSA-N 325.453 1.854 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCc1ccc(F)cc1 55024727 IFOGGGQOXDRFSD-DZGCQCFKSA-N 335.423 1.412 0 40 EDAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)N2CCC[C@@H](C)C2)nc1 106582679 CALPAASEXCEHEZ-CYBMUJFWSA-N 340.449 1.237 0 40 EDAB Cc1ccc(NS(C)(=O)=O)c(C(=O)NCC(=O)NC(C)(C)C)c1 25067744 QUXDRVIBPVUMNP-UHFFFAOYSA-N 341.433 1.011 0 40 EDAB Cc1cccnc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 27756891 GXYLJLBFKMQOMD-UHFFFAOYSA-N 332.385 1.381 0 40 EDAB CCN1CCN([C@@H]2CCN(C(=O)Nc3cnc(C4CC4)nc3)C2)CC1 106946142 BOQXZLVZMBMGPU-MRXNPFEDSA-N 344.463 1.598 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1C[C@@H](C)O[C@H](C)C1 25413880 CWYHOEDSCRYOLM-UPJWGTAASA-N 340.445 1.526 0 40 EDAB C[C@@H](SCCN1C(=O)NC(C)(C)C1=O)C(=O)NC1CCCC1 56242125 IBKKVZIPVDGKJS-SNVBAGLBSA-N 327.450 1.497 0 40 EDAB Cn1c(=O)c2nc(Cl)n(Cc3ccc(Cl)cc3)c2n(C)c1=O 3289884 PQATXUSFBNPEDA-UHFFFAOYSA-N 339.182 1.789 0 40 EDAB CCCN1CCN(C(=O)[C@H](C)n2cc(Br)cn2)CC1 28305647 UTZKSHHWMUHUAC-NSHDSACASA-N 329.242 1.761 0 40 EDAB O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)[C@H](O)c1ccccc1 108144010 VPXIAYYHENMSMX-IPMKNSEASA-N 340.423 1.472 0 40 EDAB O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1 108388730 IJSAWKCTFBGZQL-KGLIPLIRSA-N 327.377 1.584 0 40 EDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H](C)N(C)C1CC1 57716197 SIIVBCQZWDLMQU-HNAYVOBHSA-N 345.487 1.969 0 40 EDAB O=C(Nc1ccnc2ccnn12)[C@@H]1CCCCN1C(=O)[C@H]1CCCO1 108714757 CBPZFQGUMOOHBX-QWHCGFSZSA-N 343.387 1.228 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)nc(C(C)C)n1 48144686 KCDJWTRTIKNAQQ-CQSZACIVSA-N 345.447 1.083 0 40 EDAB Cc1nnnn1-c1cccc(NC(=O)c2ccnc(-n3ccnc3)c2)c1 58133500 PGJPJXQPXYYOGK-UHFFFAOYSA-N 346.354 1.804 0 40 EDAB COC1CCN(c2ccc(F)cc2CN(C)S(C)(=O)=O)CC1 58265992 BLLFPFVDVPZRRF-UHFFFAOYSA-N 330.425 1.832 0 40 EDAB O=C1CN(c2ccccc2)C(=O)N1CCS(=O)(=O)c1ccccc1 58232104 IQXSHGDSMVDVQJ-UHFFFAOYSA-N 344.392 1.929 0 40 EDAB Cc1noc([C@@H](C)NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)n1 58246309 DCVGMZGEDRBVSM-GHMZBOCLSA-N 344.371 1.759 0 40 EDAB CCOc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cn1 44954976 NNAJXPGDZYDYFP-UHFFFAOYSA-N 342.399 1.642 0 40 EDAB CC(=O)N1CCC(NC(=O)NCc2ccnc(N3CCCC3)c2)CC1 44951955 LDANRECJAUSATL-UHFFFAOYSA-N 345.447 1.492 0 40 EDAB NC(=O)NC(=O)CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 58332781 VOBRRLLHKSMIOR-NSHDSACASA-N 347.350 1.250 0 40 EDAB O=C(CNC(=O)CC1CCCCC1)NCC(=O)NCc1ccccc1 58325014 WAGYVVQQEMTPOZ-UHFFFAOYSA-N 345.443 1.506 0 40 EDAB COc1ccc(NC(=O)[C@@H](C)Nc2cccc(OCC(N)=O)c2)cc1 28356785 XVEVMGYTQSRZPB-GFCCVEGCSA-N 343.383 1.998 0 40 EDAB CC(C)CCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245790 LAVNVHKJRAKANE-UHFFFAOYSA-N 327.450 1.705 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 58918843 XMIALQWKEMZNGP-KBPBESRZSA-N 331.464 1.851 0 40 EDAB CC(C)n1ncc2cc(NC(=O)NCCN3CCOCC3)cnc21 48290081 OYNDDPUQZHPIEZ-UHFFFAOYSA-N 332.408 1.466 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)Cn1ccc(C(F)(F)F)n1 48344801 XQHMJDNDENUICN-UHFFFAOYSA-N 328.298 1.098 0 40 EDAB COc1ccc(C(=O)NCc2nnc3n2CCC3)c(OC)c1OC 12888113 PZGDTXWIIALOFU-UHFFFAOYSA-N 332.360 1.180 0 40 EDAB CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)CCS(C)(=O)=O 173056667 AIUIPUKQBUHYMO-UHFFFAOYSA-N 333.475 1.795 0 40 EDAB O=C(NCCNS(=O)(=O)c1ccccc1)c1cc(F)cc(F)c1 12919574 NXQHOLIURVFKPL-UHFFFAOYSA-N 340.351 1.673 0 40 EDAB O=C(Nc1ccccn1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 69453840 ILPCNFMWHWTRCX-UHFFFAOYSA-N 335.360 1.914 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)CCC(=O)N1CCOc2ccccc21 69490678 PAYPWENMDQQRRP-UONOGXRCSA-N 332.400 1.828 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C(=O)N3c4ccccc4[C@@H]4OCC[C@H]4[C@H]3[C@]23C=C[C@H]1O3 4044186 ADBRMMHYTJFVFR-CDQGLVJLSA-N 339.347 1.517 0 40 EDAB biogenic CCOC(=O)CN1C(=O)C(=O)N(Cc2c(C)cc(C)cc2C)C1=O 4042292 YTHCITDQSDAHNB-UHFFFAOYSA-N 332.356 1.466 0 40 EDAB C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1ccc(N2CCOCC2)nc1 76091944 XOYIMSCWEFLHMT-ZBFHGGJFSA-N 347.463 1.722 0 40 EDAB CC1CCN(C[C@H](O)CNC(=O)c2ccc(Br)o2)CC1 69594506 IGCKZZHGHIORBM-LLVKDONJSA-N 345.237 1.865 0 40 EDAB C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)c1nccs1 69566351 LAXHXXDKWIMXTL-ZETCQYMHSA-N 346.459 1.412 0 40 EDAB O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1ccccc1C(F)(F)F 13686856 NDCVHUHWUCLFOD-VIFPVBQESA-N 325.250 1.819 0 40 EDAB COc1cc(C(=S)N2CCSCC2)ccc1OCC(=O)O 13690798 OZDLQVLOCFMCRX-UHFFFAOYSA-N 327.427 1.883 0 40 EDAB Cn1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)n1 69528181 QPTFZCYPMMJZTM-JTQLQIEISA-N 340.430 1.273 0 40 EDAB COCCCNC(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 69898871 YWXRCLXTOREMCW-UHFFFAOYSA-N 341.433 1.162 0 40 EDAB Cc1cc(NC(=O)CCN(C)C[C@@H]2CCCN2c2cccnn2)no1 69872019 WBOIQNNCICICGQ-AWEZNQCLSA-N 344.419 1.702 0 40 EDAB Cc1cc(CS(=O)(=O)N(C)CCOc2ccc(F)cc2)no1 69620544 IVGNINFXIWCHSL-UHFFFAOYSA-N 328.365 1.963 0 40 EDAB CC(=O)N(C)c1nc(CN2CCCC[C@@H]2Cn2cncn2)cs1 69630997 DFVGMDMJQMPPNB-CQSZACIVSA-N 334.449 1.772 0 40 EDAB Cc1cnn([C@H](C)[C@@H](C)NC[C@H](O)COc2ccc3c(c2)OCO3)c1 69624646 SYYSCULZUUELFL-KFWWJZLASA-N 347.415 1.899 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)NC2(CCCC2)C1=O 5293162 PVNRNJHWNMANLA-GFCCVEGCSA-N 327.384 1.829 0 40 EDAB CNS(=O)(=O)c1ccc(-c2nnc3c4ccccc4c(C)nn23)o1 5243998 DHTOYSPWWOEPJH-UHFFFAOYSA-N 343.368 1.754 0 40 EDAB Cc1csc(=O)n1CCC(=O)N1CCC[C@H](c2nncn2C)C1 65452948 AQYILOUDJCEREC-LBPRGKRZSA-N 335.433 1.143 0 40 EDAB O=C(Cc1csc(-c2nc[nH]n2)n1)NCCOc1ccc(F)cc1 65587911 GRWVCQHPGJATRT-UHFFFAOYSA-N 347.375 1.805 0 40 EDAB CCNC(=O)CNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 14119202 PJWONLSJNGYPDD-UHFFFAOYSA-N 345.399 1.665 0 40 EDAB CCS(=O)(=O)Nc1ccccc1C(=O)N[C@@H](C)[C@@H]1CCCO1 65625688 VRWYUULBRHGAKD-FZMZJTMJSA-N 326.418 1.746 0 40 EDAB C[C@H]1CN(CC2CCN(CC(=O)NC3CCCC3)CC2)C[C@H](C)O1 65624493 IGAAEGZJMYRMQZ-HOTGVXAUSA-N 337.508 1.866 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccc[nH]2)c1 6552855 DPGOOPMVGSCLDM-UHFFFAOYSA-N 337.401 1.090 0 40 EDAB COC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 6651803 PHPLDIQBFROQLV-UHFFFAOYSA-N 325.386 1.463 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCCC1 4938329 IVRDIIJGEQWCHB-UHFFFAOYSA-N 346.836 1.592 0 40 EDAB C[C@@H](NC(=O)COC(=O)C1=COCCO1)c1ccc2c(c1)OCO2 7655644 HYRCXLKTHMKETP-SNVBAGLBSA-N 335.312 1.024 0 40 EDAB Cc1ccc(Cl)c(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 7779537 GYLTXNUPUFHGNS-NSHDSACASA-N 331.821 1.673 0 40 EDAB Cc1ccccc1-n1nc(C(=O)NCC(C)(C)C(N)=O)c2c1CCC2 68524510 GWQKMXIGRFHLHP-UHFFFAOYSA-N 340.427 1.911 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCC(=O)N1 68534456 UOMSPTGKIVOUPL-INIZCTEOSA-N 326.400 1.443 0 40 EDAB Cc1cc(C)c(CNC(=O)N[C@@H]2CCC[C@@H]2n2ccnc2)c(=O)[nH]1 81473255 VILVNCKFEFMHAZ-CABCVRRESA-N 329.404 1.781 0 40 EDAB O=C(c1n[nH]c2c1CN(Cc1cccs1)CC2)N1CCOCC1 96092371 KJCRWVSJSYUSKK-UHFFFAOYSA-N 332.429 1.502 0 40 EDAB Cc1ccc(CC(=O)N2CC(S(=O)(=O)Nc3ccccc3)C2)cn1 96005420 QKXZEBXKLOAAFW-UHFFFAOYSA-N 345.424 1.585 0 40 EDAB CC[C@@H]1c2ccsc2CCN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 9336302 CRHBQNDRXHNDIS-DGCLKSJQSA-N 342.486 1.361 0 40 EDAB COc1ccc(N2CCC[C@H](C(=O)NCCc3nccs3)C2)nn1 96232707 KGOBMIWKIZJOAZ-LBPRGKRZSA-N 347.444 1.517 0 40 EDAB Cc1nc(-c2ccccc2)oc1C(=O)N1CCN([C@H](C)C(N)=O)CC1 97009488 ZRUIUFJITIHMHI-CYBMUJFWSA-N 342.399 1.282 0 40 EDAB C[C@@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCCn4ncnc43)ccc2O1 97013376 FKWACXSLOQMAAX-ZWNOBZJWSA-N 334.401 1.415 0 40 EDAB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2cnn(C)c2)c1 72270333 KPBBRROPZDHNOZ-UHFFFAOYSA-N 343.430 1.241 0 40 EDAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269580 QHZHOGYWYRSXTC-SJORKVTESA-N 341.411 1.199 0 40 EDAB O=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCCn2ncnc21 71839378 GIAYHEYVXIRYRJ-UHFFFAOYSA-N 346.822 1.980 0 40 EDAB CN(Cc1ccccc1)C[C@@H](O)CN1CCC[C@@H]1Cn1cccn1 71876982 DHHCVKKGILGVSN-RTBURBONSA-N 328.460 1.840 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 71871253 GVAJGDAHIVODMH-CYBMUJFWSA-N 326.824 1.634 0 40 EDAB O=C(Cn1ccc(=O)c2ccccc21)N1CCN2CCCC[C@@H]2C1 71839676 WBOGZGSLLNUTNQ-OAHLLOKOSA-N 325.412 1.698 0 40 EDAB Cc1nc(CC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)cs1 71898261 MHRHJFUQZCQHAG-ZDUSSCGKSA-N 339.486 1.560 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)Cc3cn4ccccc4n3)C2)n1 72235374 FFSFZPRLHPUCSI-MRXNPFEDSA-N 338.415 1.949 0 40 EDAB CNC(=O)CCCN(C)C(=O)COc1cccc(N2CCCC2=O)c1 83881815 OTNQYNSUQSSKEW-UHFFFAOYSA-N 347.415 1.177 0 40 EDAB CNC(=O)[C@@H](NC(=O)Cn1cc(-n2cccc2)cn1)c1ccccc1 83881785 FSNQDZYPNCJSGM-KRWDZBQOSA-N 337.383 1.277 0 40 EDAB COCCN(C)S(=O)(=O)N1CCC(Nc2cccc(C)n2)CC1 71921629 DEKQKHMBGMRESF-UHFFFAOYSA-N 342.465 1.089 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2 71914034 DEWQMNBZUMKSIK-UHFFFAOYSA-N 338.410 1.085 0 40 EDAB Cc1cc(C)n(Cc2cccc(NC(=O)N[C@@H]3CCN(C)C3=O)c2)n1 72292063 LHTMYOLIXPJXRH-MRXNPFEDSA-N 341.415 1.900 0 40 EDAB Cc1ccc(OC[C@H](C)NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 72274049 GUJCZTKFQGUPAV-JZXOWHBKSA-N 347.459 1.925 0 40 EDAB COCCNC(=O)CNC(=O)C[C@@H]1CCCc2cc(OC)ccc21 72026693 QOKLDZUWQHYOJX-AWEZNQCLSA-N 334.416 1.384 0 40 EDAB COCCN1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1nccn1C 72275877 HLJAGWVOIJVJHU-UONOGXRCSA-N 329.356 1.432 0 40 EDAB C[C@H](OC(=O)[C@@H](C)N(C)Cc1ccccc1)C(=O)NC(=O)NC1CC1 72290053 OVKBHIDEMFPLBI-OLZOCXBDSA-N 347.415 1.427 0 40 EDAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC(c2cn[nH]c2)CC1 97203018 YOBDWPNATFBWKN-JTQLQIEISA-N 347.444 1.777 0 40 EDAB CC(=O)Nc1cccc(NC(=O)C[C@H](CN2CCOCC2)C(=O)O)c1 72405285 ZNLUHQPTJFDSTL-CYBMUJFWSA-N 349.387 1.007 0 40 EDAB Cc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)s1 84752835 CWSTYLYKNTVNCS-UHFFFAOYSA-N 330.391 1.251 0 40 EDAB Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2ccn3ccnc3c2)cn1 95446000 HREYXFQCPUEADQ-OAHLLOKOSA-N 337.383 1.945 0 40 EDAB CCc1noc(C)c1NC(=O)C(=O)NCc1cn2c(C)cccc2n1 95974453 NZVCVAOCDOMXFP-UHFFFAOYSA-N 341.371 1.756 0 40 EDAB CC(C)[C@@H](O)C1(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 95988237 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40 EDAB Cc1nc(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)cs1 89712457 DYVOVFKWKSNDMA-OAHLLOKOSA-N 345.424 1.495 0 40 EDAB O[C@@H](CN1CCOCC1)CN1CCC(Nc2ccccc2F)CC1 89814330 LYPQLAVGLQCMBY-MRXNPFEDSA-N 337.439 1.395 0 40 EDAB COc1ccc(NC(=O)CSc2nnc(C[C@H](C)O)n2C)cc1 20436812 QESVMVXZZDZVHE-JTQLQIEISA-N 336.417 1.478 0 40 EDAB Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cn3ccnc3s2)cn1 545989651 BMZSQTBXVYUGPK-BSNNYGBQSA-N 349.441 1.075 0 40 EDAB COc1cc2nc(CN3C[C@@H]4CCN(C)[C@@H]4C3)nc(O)c2cc1OC 514912470 YKAWTAKKUTZWCM-SMDDNHRTSA-N 344.415 1.489 0 40 EDAB Cc1cccc(F)c1S(=O)(=O)N1CC[C@H](C(=O)O)C(F)(F)C1 516891941 SJANHNSEPCYQCW-SECBINFHSA-N 337.319 1.865 0 40 EDAB CC(C)[C@H](NC(=O)CCCn1cnnn1)c1nc2ccccc2[nH]1 524735182 CTDLPUOGSKMJKU-HNNXBMFYSA-N 327.392 1.843 0 40 EDAB CN(Cc1ccccn1)C(=O)CNC(=O)N1CCc2ccccc2C1 78777274 MKYXXSDSMRFALC-UHFFFAOYSA-N 338.411 1.808 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)n2cnnn2)c(OC)c1 524735626 ONDRPSAJHMUEKK-FZMZJTMJSA-N 331.376 1.615 0 40 EDAB CN1Cc2c(nc(-c3ccc(Br)cc3)c[n+]2[O-])N(C)C1 35225712 XSHNQKMKXQHLRW-UHFFFAOYSA-N 335.205 1.984 0 40 EDAB COCC(=O)N1CCC[C@@H](c2cc(Nc3cnccn3)nc(C)n2)C1 72360289 PWDRZMOBULBUHY-CYBMUJFWSA-N 342.403 1.671 0 40 EDAB CC(C)(C)c1noc(-c2ccccc2C(=O)N2CC[C@@H](C(N)=O)C2)n1 78718377 HYDOQOYOVNNZFF-LLVKDONJSA-N 342.399 1.982 0 40 EDAB CCn1ncc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1=O 72242615 VGFWBXQPTSWDOM-UHFFFAOYSA-N 336.779 1.472 0 40 EDAB CN(C)C(=O)c1cccc(NC(=O)CNC(=O)c2cccs2)c1 32901101 DQAWLDJCGNIFJO-UHFFFAOYSA-N 331.397 1.818 0 40 EDAB CN1C(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc21 74936322 DCACYNIELCJFEA-UHFFFAOYSA-N 346.408 1.563 0 40 EDAB COc1ccccc1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238829699 FPPUILZSJZJCHV-OKILXGFUSA-N 340.379 1.471 0 40 EDAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O 218558099 FEULHMJOOJEMCV-DYEKYZERSA-N 331.434 1.645 0 40 EDAB Cc1c(CNC(=O)c2cc(Sc3ncccn3)ccn2)cnn1C 72243461 HKTYOYKXPZQOBQ-UHFFFAOYSA-N 340.412 1.995 0 40 EDAB O=C([C@@H]1Cc2ccccc2CO1)N1CC[C@@H](Oc2cccnn2)C1 225417300 JAPXCBNBEIXAQI-CVEARBPZSA-N 325.368 1.598 0 40 EDAB CCn1cccc1-c1noc(CNC(=O)c2cccn(C)c2=O)n1 225768556 NFXLMJJVGDELAE-UHFFFAOYSA-N 327.344 1.187 0 40 EDAB O=C1CN(C(=O)COc2ccc(Br)cc2Cl)CCN1 45000758 CRSWXKMXETYGKA-UHFFFAOYSA-N 347.596 1.440 0 40 EDAB COCC(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 85555690 QZLSOMUFCJOWRU-UHFFFAOYSA-N 327.388 1.388 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2c[nH]c3ccc(F)cc3c2=O)CC1 44919991 SLUDYGNZGPZOAO-UHFFFAOYSA-N 347.346 1.582 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)c1cccs1 40465376 XXGZZHZBOAOIDX-CQSZACIVSA-N 346.456 1.949 0 40 EDAB COCCCNC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 75163733 KVFLHTTXUDFVJW-UHFFFAOYSA-N 345.281 1.327 0 40 EDAB COC(=O)[C@H](NCc1cnc2ccc(Br)cn12)[C@@H](C)O 191021119 SBEKGFJGNLQVTD-PRHODGIISA-N 342.193 1.109 0 40 EDAB CC(C)[C@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CCO1 571887309 CINFIPRTGHTGIE-CZUORRHYSA-N 334.416 1.746 0 40 EDAB Cn1ccnc1C(Nc1ncnc2c1ncn2C1CC1)c1nccn1C 528131800 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EDAB COc1ccccc1C/C(C)=C\C(=O)N1C[C@@H](OC)C[C@H]1C(N)=O 583619071 QJBZQZFVHWJNMJ-OGYKNIHVSA-N 332.400 1.285 0 40 EDAB CN(C(=O)CN[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)C1CC1 583620198 VGQBZWDQXPMVPE-QAPCUYQASA-N 328.416 1.096 0 40 EDAB Cc1ccccc1S(=O)(=O)N1CC2(CC[C@@H](CN(C)C)CO2)C1 248103745 IDTXAQALTYEERA-HNNXBMFYSA-N 338.473 1.726 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 247866803 OXQSVUNMNAITQG-AWEZNQCLSA-N 329.356 1.660 0 40 EDAB O=C(NCc1ccnc([C@H]2CCCO2)n1)c1ccc2c(c1)OCO2 257342923 ZQPWKXHKBXBQRO-CQSZACIVSA-N 327.340 1.987 0 40 EDAB CNc1ncccc1CN1CCCC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257236275 HBLFTGITRGFELK-CYBMUJFWSA-N 349.460 1.977 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)C[C@@H](Cc1cncnc1)CO2 257248423 JDQQCGRYLKQKOR-CQSZACIVSA-N 339.399 1.521 0 40 EDAB Cc1ccc(CC(=O)N2CCOC[C@@H](Cc3cc(O)ncn3)C2)s1 257260798 LEKMQMAWHXIMAJ-ZDUSSCGKSA-N 347.440 1.812 0 40 EDAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)Cn1ccnc1 257212475 CDOUSSXBAKNGNA-RWQQGDIJSA-N 348.491 1.746 0 40 EDAB 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CN(C(=O)c1ccc(=O)n(C)c1)[C@@H]1CCCN(c2ccccn2)C1 257318066 VMIQJRDLTBFSIP-OAHLLOKOSA-N 326.400 1.521 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)Cc2c(F)cccc2Cl)CC[C@@H]1O 257256783 KMWPWSNEOIDMDL-GJZGRUSLSA-N 342.798 1.510 0 40 EDAB O=C(O)C[C@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c23)CCO1 1610764655 ZSSRFZSFZVHJBJ-JTQLQIEISA-N 330.319 1.930 0 40 EDAB COc1ccc(CNC(=O)NCCn2cncc(C)c2=O)cc1OC 96119191 PSDWRMMCYSGDQH-UHFFFAOYSA-N 346.387 1.068 0 40 EDAB CN(CC(=O)N1CCO[C@](CO)(Cc2ccccc2)C1)C1CCCC1 585278705 QZPLFQDHMBAASL-HXUWFJFHSA-N 346.471 1.693 0 40 EDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc2c(c1)C[C@H](C)O2 585110711 GAUGFSSHMSFVPD-KPZWWZAWSA-N 332.400 1.377 0 40 EDAB O=C(NC1CCC1)[C@H]1C[C@@]12CCN(C(=O)CCc1cncnc1)C2 585101513 KXINATOMIAUVSG-CRAIPNDOSA-N 328.416 1.317 0 40 EDAB COc1ccc(C)cc1CN1CCC[C@@H](CNS(N)(=O)=O)C1 69444023 CQHGRCCHKQFPPS-ZDUSSCGKSA-N 327.450 1.009 0 40 EDAB O[C@H](CN1CCN(Cc2nnc(C3CC3)o2)CC1)c1ccccc1 69667544 BWWPFDFXLLPADU-MRXNPFEDSA-N 328.416 1.798 0 40 EDAB Cc1cc(F)c(CNC(=O)N2CCS(=O)(=O)CC[C@H]2C)c(F)c1 1548453517 JDIPFLWORAKOGP-LLVKDONJSA-N 346.399 1.992 0 40 EDAB CCOC(=O)CCC(=O)OCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102173549 VODHMAGXODGYJX-XUXIUFHCSA-N 325.405 1.814 0 40 EDAB CN[C@@H](C)CNC(=O)CCn1c(S)nnc1-c1cccs1 585137924 AVNMQCIMHWFGSA-VIFPVBQESA-N 325.463 1.410 0 40 EDAB CC1(C)CCN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)CC[S@]1=O 599992873 JVFLLWMCTYGBDB-UZUQRXQVSA-N 340.489 1.443 0 40 EDAB Cn1cc([C@H](NC(=O)N2C3CCC2(CO)CC3)C(F)(F)F)cn1 1615040092 KLVDFZXILVTIGQ-AKJDGMEZSA-N 332.326 1.722 0 40 EDAB CCOC(=O)CCC[C@H](NC(=O)c1ccc(N)cc1)C(=O)OCC 5332559 BWRFURFXKKFXRR-AWEZNQCLSA-N 336.388 1.664 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C(C)C 12695126 MRGVPWCOGWPPDF-ZYHUDNBSSA-N 325.434 1.143 0 40 EDAB C[C@H]1CCCN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)C1 13671437 GLIICBKBXMTBSN-LBPRGKRZSA-N 328.409 1.850 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3ncsc3c2)C1 13790752 SFKSKKIEDRBXRS-JTQLQIEISA-N 339.442 1.906 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCNC(=O)C[C@@H]2C)cc1C 608034479 JSAINRAEHHEVGR-LBPRGKRZSA-N 326.418 1.293 0 40 EDAB CC(C)CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 4504807 GRODPYWCTBSQNC-CQSZACIVSA-N 343.420 1.876 0 40 EDAB C[C@H](CCO)NC(=O)[C@H]1CN(Cc2ccccc2)C[C@]12CCOC2 585122082 MRFGKFQHHPQIJS-SUMDDJOVSA-N 332.444 1.412 0 40 EDAB COc1cc(C)n(CCNC(=O)Cn2ccc3ccccc32)c(=O)c1 238850748 JHHOFBLSFDDGMY-UHFFFAOYSA-N 339.395 1.936 0 40 EDAB O=C(C1CC(O)C1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 1565547854 SSDFLQXONVPNDQ-UHFFFAOYSA-N 329.375 1.914 0 40 EDAB COc1ncc(CN2C[C@@H](C(=O)N(C)C)C[C@H]3OCC[C@H]32)cc1C 1565541879 HXBPWGCBCUEUHX-ARFHVFGLSA-N 333.432 1.466 0 40 EDAB COc1ccc(S(=O)(=O)Nc2cncc(C(=O)O)c2)cc1OC 2458692 GFHLFXXWXHHLPB-UHFFFAOYSA-N 338.341 1.598 0 40 EDAB CN1CCCc2cc(CCNC(=O)C(=O)NC3CCCC3)ccc21 13006736 YVOJSQSMRMSCAP-UHFFFAOYSA-N 329.444 1.787 0 40 EDAB COc1cnccc1C(=O)N1CC[C@@H]2C[C@H](c3n[nH]c(C)n3)O[C@@H]2C1 2055756397 LMGMHKWYPJQZLP-UXIGCNINSA-N 343.387 1.509 0 40 EDAB O=C(c1cccc(Cl)c1)N1C[C@H]2CN(c3cncnc3)C(=O)[C@H]2C1 2055771474 AUMATSSXMHATFN-WFASDCNBSA-N 342.786 1.865 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2ccc3c(c2)OCO3)C1 2055772222 KFOXECUAQKEESB-GOSISDBHSA-N 342.399 1.349 0 40 EDAB CCNc1cc(NCCNC(=O)c2ccc3c(c2)OCO3)nc(C)n1 36708076 XTPGHPMRSSETKD-UHFFFAOYSA-N 343.387 1.787 0 40 EDAB Cc1csc(=O)n1CC(=O)N1CCN(C)C[C@@H]1c1ccccc1 30030212 KDHOPYNSTUSARH-OAHLLOKOSA-N 331.441 1.734 0 40 EDAB O=C(C1CC1)N1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 40466187 TZWJBCNKZZOEJQ-UHFFFAOYSA-N 346.818 1.402 0 40 EDAB Cc1cc(=O)c(C(=O)N2CCSCC2)nn1-c1ccccc1F 40542080 URJRGRICPSVGRS-UHFFFAOYSA-N 333.388 1.869 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 29207615 ZPSYQNOBUGNSOI-ZDUSSCGKSA-N 335.429 1.251 0 40 EDAB CC(C)CN1C[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)CC1=O 29784997 GAHXUUDTLAHMMR-LBPRGKRZSA-N 328.376 1.105 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCCC1=CCCCC1 4111037 GOAMFDINFKIMQQ-MDBPOYHNSA-N 328.412 1.800 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NC1CCCC1 4984927 JCTHGCDLCSDCES-INIZCTEOSA-N 341.411 1.697 0 40 EDAB COCCCNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 4995608 QXDLJVPCSOJVRF-UHFFFAOYSA-N 348.852 1.567 0 40 EDAB CCCc1cc(C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cs1 6636468 GOQSIEOMOYVZKK-MPZDIEGVSA-N 334.397 1.508 0 40 EDAB Cc1csc([C@](O)(CC(=O)N(C)Cc2ncc[nH]2)C(F)(F)F)n1 69773049 JURUYPCMYUDACJ-GFCCVEGCSA-N 348.350 1.973 0 40 EDAB CNc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)CCC2 10157639 GZWFVMQJAKFXAQ-UHFFFAOYSA-N 339.403 1.154 0 40 EDAB CCOC(=O)[C@H]1CSCCN1C(=O)/C=C/c1csc(C)n1 32902941 XOQLMIJXFMLXRR-ZYOFXKKJSA-N 326.443 1.972 0 40 EDAB CCCc1cc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cs1 102602224 GOQSIEOMOYVZKK-FDYHWXHSSA-N 334.397 1.508 0 40 EDAB CCc1oncc1C(=O)N1CC2(CCN([C@H]3CCCN(C)C3=O)C2)C1 1073024306 HWTDRHBXTUOEQD-AWEZNQCLSA-N 346.431 1.006 0 40 EDAB COc1ccc(-c2cnc(CN(C)[C@@H]3CCS(=O)(=O)C3)o2)cc1 41392752 JNDQNQIEOLPBNI-CYBMUJFWSA-N 336.413 1.969 0 40 EDAB COc1cc(C)c([C@H](C)NC(=O)N2CC[C@H](C(N)=O)C2)cc1OC 46614051 CHQUAWUVZUTJMF-RYUDHWBXSA-N 335.404 1.590 0 40 EDAB O=C(O)C1=C[C@@H](c2cccc(O)c2)n2nc(C(F)(F)F)nc2N1 102335907 JUARCJYGPPESPR-VIFPVBQESA-N 326.234 1.986 0 40 EDAB CS[C@H](C)C(=O)NCc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 53129292 VQGQRGKPJYXFKM-LLVKDONJSA-N 349.456 1.885 0 40 EDAB C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)N1CCC[C@@H](C)C1 46952121 QNZXUKSMOZABQF-KGLIPLIRSA-N 338.473 1.940 0 40 EDAB O=C(NC[C@@H]1CCOC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 47067813 KEPILBPQDZUHDQ-HNNXBMFYSA-N 347.415 1.279 0 40 EDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 24051042 COLZIARPAHUYQG-RYUDHWBXSA-N 331.459 1.757 0 40 EDAB Cc1ccc(-c2cc(CNC(=O)N[C@H]3CCS(=O)(=O)C3)on2)cc1 42871143 IHVAIBPMUZTHEP-ZDUSSCGKSA-N 349.412 1.636 0 40 EDAB Cc1c([C@H](C)NC(=O)c2ccc(CS(C)(=O)=O)cc2)cnn1C 24999213 HJGPNDPODXTJHA-NSHDSACASA-N 335.429 1.764 0 40 EDAB CN(C)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cn1 47788131 PZOAXEVBDHITIB-UHFFFAOYSA-N 342.351 1.959 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)CCc3cscn3)CCO2)n1 76045925 XUPCGPGNZDSYLF-GFCCVEGCSA-N 335.433 1.746 0 40 EDAB Cc1cc(C)c(N2C(=O)C[C@H](SC[C@@H](N)C(=O)O)C2=O)c(C)c1 100855864 KJGVKQCSIKBUJN-NEPJUHHUSA-N 336.413 1.389 0 40 EDAB NC(=O)CS(=O)(=O)c1nc2ccccc2n1Cc1cccc(F)c1 1430435 VVCUFCWIKWPAMK-UHFFFAOYSA-N 347.371 1.483 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 106910037 ZPNFBLQOGKIMBQ-IJEWVQPXSA-N 330.432 1.352 0 40 EDAB C[C@H](NC(=O)NCC(=O)Nc1ccccc1)c1nnc2ccccn12 56384015 FQONZAQUYGXBBW-LBPRGKRZSA-N 338.371 1.728 0 40 EDAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 107316943 QCNLPZZGRKBRBF-BRWVUGGUSA-N 343.427 1.575 0 40 EDAB O=C(CN1CCN(c2nccs2)CC1)NCc1ccccc1F 35283998 KMNGBQUXCZDPFF-UHFFFAOYSA-N 334.420 1.721 0 40 EDAB O=C(CC[C@H]1CCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1 70021622 GGYXYFFLGFAPEY-MSOLQXFVSA-N 332.444 1.823 0 40 EDAB Cc1cc(NC(=O)CN2CCN(CCc3cccs3)CC2)on1 58156678 ZOXRISOIPQYQOF-UHFFFAOYSA-N 334.445 1.843 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(C)C)cc(C3CC3)nc21 27605359 YVVBYUKNOISMNY-UHFFFAOYSA-N 330.388 1.510 0 40 EDAB CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)nc1)N1C[C@H](C)O[C@H](C)C1 58294516 YKBPURASNFLMAS-DAYGRLMNSA-N 348.491 1.898 0 40 EDAB CC(C)Cn1nnc(NC(=S)NC(=O)/C=C/c2ccccc2)n1 21596172 PVCHYKUZNXXNOP-CMDGGOBGSA-N 330.417 1.856 0 40 EDAB CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 44943789 TXNLQUWCQHLIDK-LLVKDONJSA-N 347.806 1.621 0 40 EDAB CCn1cnnc1CNC(=O)c1ccc(OC)c(Br)c1 44942379 BUCAYKRFCNQOSF-UHFFFAOYSA-N 339.193 1.999 0 40 EDAB CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 58341224 PJFNRGGZAYCOTL-HOTGVXAUSA-N 349.862 1.724 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1ccnc(-n2ccnc2)c1 58329075 ZCYNZPYMWPUVTB-OAHLLOKOSA-N 349.398 1.456 0 40 EDAB COCCN1CCC[C@H]1CNC(=O)/C=C/c1ccc(OC)cc1OC 58431002 ZOLHVBWUGINKTG-DYLHUKMJSA-N 348.443 1.944 0 40 EDAB NS(=O)(=O)N1CCc2ccc(NC(=O)CCc3ccncc3)cc21 69393138 PQNYQQQIZIADNS-UHFFFAOYSA-N 346.412 1.219 0 40 EDAB COc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1nnc2n1CCC2 48344887 GVALQWDSVYIKEB-UHFFFAOYSA-N 342.399 1.637 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3sccc3-n3cnnn3)C2)c1 69451819 FMPVHIPVELZZEJ-GFCCVEGCSA-N 343.416 1.706 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)Nc3cc(C)nn3C)CC2=O)cc1 69418211 UZNRXRLKGSOTOP-CQSZACIVSA-N 342.399 1.724 0 40 EDAB O=C(CN1CSCC1=O)NCc1cc(F)ccc1Br 48737392 JCMUDHCBELQWJY-UHFFFAOYSA-N 347.209 1.737 0 40 EDAB CC(C)(Oc1ccc2c(c1)CCCC2=O)C(=O)N[C@@H]1CCCNC1=O 69419820 UTPHPAOJGLETJW-OAHLLOKOSA-N 344.411 1.758 0 40 EDAB CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 91582669 DHCRUVHGLUTMEC-AWEZNQCLSA-N 337.374 1.645 0 40 EDAB Cc1nc(N2CCN(C(=O)C3(C)CCCC3)CC2)c2cnn(C)c2n1 69872289 IGOBDGVPCPITQP-UHFFFAOYSA-N 342.447 1.901 0 40 EDAB CC[C@H]1CN(Cc2cccc(C(=O)N(C)C)c2)CCN1CCOC 69817679 SAYZCWTWGPKKLQ-SFHVURJKSA-N 333.476 1.931 0 40 EDAB CN(C(=O)[C@@H]1CSCN1C(=O)Cc1cn2ccccc2n1)C1CC1 69528345 FQDJDYAWQJBLIU-AWEZNQCLSA-N 344.440 1.399 0 40 EDAB Cc1noc(C)c1CNC(=O)C(=O)Nc1cccc2nsnc12 13693417 DXJNEIXLLBIBMF-UHFFFAOYSA-N 331.357 1.551 0 40 EDAB CN1CCNC(=O)[C@@H]1CC(=O)NC(C)(C)C12CC3CC(CC(C3)C1)C2 39354767 FNGQFDBFEHMTJB-OCABNYQQSA-N 347.503 1.918 0 40 EDAB CCn1nc(C)c(C(=O)NS(=O)(=O)Cc2ccc(F)cc2)c1C 69558953 FVPFQSWECINIDR-UHFFFAOYSA-N 339.392 1.919 0 40 EDAB COc1ccc(OC)c([C@@H]2[C@@H](C(=O)O)CC(=O)N2C[C@@H]2CCCO2)c1 69699999 GNYLRAKHTCCPCM-RVSPLBMKSA-N 349.383 1.857 0 40 EDAB O=C(C[C@H]1CCCO1)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 69658670 QFJUTVMEIHQSBP-SJORKVTESA-N 330.428 1.905 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)NCCSC(F)(F)F)C1 65290378 ONTVKFIFHCOIDM-SECBINFHSA-N 339.383 1.940 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(C[C@@H](C)O)CC1 69951279 VXPVVNKEMAJQGG-CQSZACIVSA-N 336.480 1.223 0 40 EDAB O=C(c1cccc2c1OCO2)N1CCCN(c2cccnn2)CC1 69949373 VGUHSBRJOMBCJA-UHFFFAOYSA-N 326.356 1.558 0 40 EDAB CCOc1ncnc2c1CN([C@H](C)C(=O)NCc1cccs1)CC2 65463396 ANINFAQCGVJKLZ-GFCCVEGCSA-N 346.456 2.000 0 40 EDAB CN(CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C1CC1 65475390 JRFNNRCBLAIIQH-UHFFFAOYSA-N 347.434 1.888 0 40 EDAB O=C(NCCCn1cncn1)N1CCN(c2ccccc2Cl)CC1 65415634 MGDAJDKSDDUUIV-UHFFFAOYSA-N 348.838 1.853 0 40 EDAB CNC(=O)[C@H](NC(=O)c1ccc(C)[nH]c1=O)c1ccc(F)c(F)c1 65514162 CXDXSGIDDOSXCJ-CYBMUJFWSA-N 335.310 1.179 0 40 EDAB CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NCC2CC2)c1 65554692 XYMMHZGDZFCZPN-UHFFFAOYSA-N 325.390 1.156 0 40 EDAB COc1c(O)cc(C[C@@]2(O)Oc3cc(O)cc(O)c3C2=O)cc1O 6483423 YCDTYNVODFTPCZ-MRXNPFEDSA-N 334.280 1.024 0 40 EDAB biogenic C[C@@H](OC[C@H]1CCCCO1)C(=O)NCCc1nnc2ccccn12 65609923 ADMYYMLMCVUHDO-ZIAGYGMSSA-N 332.404 1.362 0 40 EDAB CC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 9193591 GRZFHDRYBSYMIQ-IAQYHMDHSA-N 330.384 1.791 0 40 EDAB CCn1c(SC[C@@H]2CCCO2)nc2cc(S(N)(=O)=O)ccc21 6933040 SETUXHTZWOYXNZ-JTQLQIEISA-N 341.458 1.975 0 40 EDAB C[C@@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc2c(c1)OCCO2 6900208 LYBCEOVBDVNJIS-SNVBAGLBSA-N 335.312 1.216 0 40 EDAB O=C(Nn1cnc2ccccc2c1=O)c1cc2ccccc2oc1=O 5948932 RZXZWMHVUBDZCF-UHFFFAOYSA-N 333.303 1.887 0 40 EDAB O=C(CN1CCCNC1=O)NC[C@@H](O)c1ccccc1C(F)(F)F 70830207 FBOZMJMFMJFAKB-GFCCVEGCSA-N 345.321 1.270 0 40 EDAB O=C1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)n2ncnc2N1 9014002 CISKMHBDMJEJIZ-VIFPVBQESA-N 325.250 1.819 0 40 EDAB CCCCn1c(N)c(N(C(=O)C2CCC2)C2CCCC2)c(=O)[nH]c1=O 7723809 AWJXIXDLBSCKKL-UHFFFAOYSA-N 348.447 1.995 0 40 EDAB CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)CCn1ccnn1 68476313 CPLFRXOYQQHOEN-UHFFFAOYSA-N 335.839 1.912 0 40 EDAB COc1cc(C)ccc1OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 9388816 PQLLMIGJFYZKGF-GFCCVEGCSA-N 327.402 1.028 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCCO1 96257571 MHLCIWXVCDKMEO-PUKSERLDSA-N 326.462 1.928 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 9595684 NWDDPPGJRMUBBY-OAHLLOKOSA-N 342.399 1.499 0 40 EDAB C[C@H](O)CN1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 71870994 AAMXHFRTRLDAPP-LBPRGKRZSA-N 346.349 1.609 0 40 EDAB CCc1nnc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)o1 71870662 PBOMRJFSNJHCAX-LBPRGKRZSA-N 332.408 1.647 0 40 EDAB CC1CCN(C[C@@H](O)CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)CC1 71825050 AHMIIVCZXLQMNV-DOTOQJQBSA-N 345.443 1.937 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 71881070 VYGPAGLIMXWXND-ZBFHGGJFSA-N 338.835 1.559 0 40 EDAB CC[S@](=O)CCNC(=O)Nc1nnc(-c2ccccn2)s1 72285539 OIZFFKFPJLBGIG-OAQYLSRUSA-N 325.419 1.490 0 40 EDAB Cc1cccc(N2CCN(CCS(=O)(=O)C(C)C)[C@H](C)C2)n1 79020174 GUDSTKOYEBWRJY-OAHLLOKOSA-N 325.478 1.724 0 40 EDAB CC(C)(C)c1nc(CN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)no1 72300677 GMOJKBUAUMZUOY-MGPLVRAMSA-N 335.408 1.177 0 40 EDAB CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H](C)CO)cc1 97204360 NILQHIZKZXSCTE-GFCCVEGCSA-N 334.445 1.980 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCCCNC2=O)c(C)n1-c1cccnc1 95365026 LQJXSQSJGFFBPO-MRXNPFEDSA-N 326.400 1.888 0 40 EDAB C[C@@H](C(=O)NCC1([C@H](O)c2ccccc2)CC1)N1CCN(C)CC1 95434565 JOUYLGMJPSREAF-DOTOQJQBSA-N 331.460 1.252 0 40 EDAB COC(=O)c1cccc(CC(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)c1 95442994 LHADKFGYTBJGAA-RCCFBDPRSA-N 342.439 1.958 0 40 EDAB NC(=O)CC1CCN(C(=O)NCc2ccccc2-n2ccnc2)CC1 98033599 DBDFQHPCGNTQBB-UHFFFAOYSA-N 341.415 1.669 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccccc2-n2ccnc2)C1 98033592 KAHMYVHQPGDLEM-MRXNPFEDSA-N 341.415 1.682 0 40 EDAB CCNC(=O)C1CN(C(=O)[C@@H](O)c2ccc(Br)cc2)C1 95979474 OAXGCTVJFQIIMB-LBPRGKRZSA-N 341.205 1.077 0 40 EDAB C[C@H]1CC[C@H](C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)O1 95977007 KIDRKKAYYRGNCO-XJKSGUPXSA-N 328.416 1.775 0 40 EDAB Cc1cc([C@H]2CCCN2C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)on1 95954239 WKMVULWYYZVFEG-CHWSQXEVSA-N 341.433 1.318 0 40 EDAB COc1cc(C(=S)NCCN2CCOCC2)cc(OC)c1OC 408572180 HGFASNFVJYQFHA-UHFFFAOYSA-N 340.445 1.310 0 40 EDAB O=C(NCCc1nnc2n1CCC2)N[C@@H]1CCCOc2ccccc21 86373222 CZXKRZUMZAQENP-CQSZACIVSA-N 341.415 1.980 0 40 EDAB CCc1nc2n(n1)C[C@@H](NC[C@H](O)c1ccc3c(c1)OCCO3)CC2 75131393 KSCMCCNSLMJXKU-KBPBESRZSA-N 344.415 1.250 0 40 EDAB CCOCCO[C@@H](C)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 75148234 STRWTRKEQMZGMO-ZDUSSCGKSA-N 347.415 1.767 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC2(CC1)OC[C@@H](C)O2 75143574 OHXARIWVLHEVAJ-OLZOCXBDSA-N 327.425 1.084 0 40 EDAB Cc1ccc([C@@H]2COCCN2C(=O)c2cccc(-n3cnnn3)c2)o1 89652833 CADFXVSRLCKEFD-HNNXBMFYSA-N 339.355 1.777 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 89651231 LZPIWCXZHQJWQC-CQSZACIVSA-N 328.409 1.229 0 40 EDAB O=C(NCCc1c(F)cccc1Cl)NC[C@@H]1CCCS1(=O)=O 89768039 NXTAUNJTTTWONF-JTQLQIEISA-N 348.827 1.898 0 40 EDAB COc1ccc2c(c1)OC[C@H]([C@]1(O)C(=O)N(C)c3ccccc31)C2=O 408569774 XUGFQZOCLYWGSZ-LIRRHRJNSA-N 339.347 1.751 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 408612101 YIRWFTOVGWQVGA-ZDUSSCGKSA-N 340.445 1.544 0 40 EDAB CN1CCN(C(=O)C[C@@H]2CC3(CCNCC3)c3ccccc32)CC1 306124916 CCAZXZBTUBLAKL-MRXNPFEDSA-N 327.472 1.959 0 40 EDAB Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1ccc2c(c1)nnn2C 521396203 IMQXWVAHISMPGA-VIFPVBQESA-N 349.416 1.483 0 40 EDAB Cc1nccn1CCNC(=O)c1ccccc1CN1CCOCC1 72399288 BRSNZDNKYCYOCA-UHFFFAOYSA-N 328.416 1.454 0 40 EDAB O=C(NCc1ccccc1F)[C@@H]1COCC(=O)N1Cc1ccccc1 70641557 FBLSBMTUEIFDQP-KRWDZBQOSA-N 342.370 1.870 0 40 EDAB COc1ccc(OCC(=O)Oc2cc(OC)ccc2C(N)=O)cc1 32987931 LDPPAWFZBOBLEK-UHFFFAOYSA-N 331.324 1.787 0 40 EDAB Cn1ccc(-c2cc(C(F)(F)F)n3nc(CC(=O)O)nc3n2)n1 35655505 DQQWRZMTHVICAW-UHFFFAOYSA-N 326.238 1.171 0 40 EDAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN(CC(N)=O)C3)n2)n1 72360942 YEIQSPZNJFTKIN-CYBMUJFWSA-N 341.419 1.292 0 40 EDAB Cc1cccc(Nc2nccnc2C2CCN(C(CO)CO)CC2)n1 72363674 QETKYTMZIWVPTH-UHFFFAOYSA-N 343.431 1.456 0 40 EDAB CN1CCC[C@H](c2cccc(CCC(=O)NCC3(C)COC3)n2)C1 72360571 ZDHYFRXIPROKTP-HNNXBMFYSA-N 331.460 1.976 0 40 EDAB COCCOc1ncccc1C(=O)N[C@H](C)c1c(C)nn(C)c1C 78996707 KTFXCRXSCFNVQG-LLVKDONJSA-N 332.404 1.948 0 40 EDAB O=C(CCCN1C(=O)CNC1=O)N[C@@H]1CCCCc2ccccc21 79335685 DTOCPFVYQXLWHV-OAHLLOKOSA-N 329.400 1.902 0 40 EDAB Cc1ccc(F)c(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1F 565514947 ZRMIUROWTXVXIC-WQGACYEGSA-N 338.354 1.829 0 40 EDAB COc1cccc(C(=O)Nc2cnc(N3CCOCC3)nc2)c1OC 224249388 VQDZWPSDSNMCRQ-UHFFFAOYSA-N 344.371 1.583 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 223180574 GENIVCBOPUDDEN-JTQLQIEISA-N 340.401 1.425 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1ccc(C)nc1 87102427 AMTNQCXTHKOXTP-CQSZACIVSA-N 328.420 1.921 0 40 EDAB CCNS(=O)(=O)c1ccc2c(c1)N(Cc1ccnn1CC)CC2 191561135 BXYIHHGCTPBRPW-UHFFFAOYSA-N 334.445 1.764 0 40 EDAB CC[C@@H](CSC)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 192203544 KWZXIKBVVBSOSU-INIZCTEOSA-N 342.553 1.797 0 40 EDAB COC(=O)[C@H]1C[C@H](O)CN1Cc1csc(Cc2ccccc2)n1 195578137 CCWLJBDMNXJLCS-LSDHHAIUSA-N 332.425 1.842 0 40 EDAB COC(=O)c1cc(Br)cnc1NCCN1CCOCC1 143636561 CJISWQIFROJLPC-UHFFFAOYSA-N 344.209 1.375 0 40 EDAB COC(=O)[C@H](c1ccccc1F)N1CC[C@@H](CN2CCOCC2)C1 195531767 BEKWMCZNPLVMRK-YOEHRIQHSA-N 336.407 1.694 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)CC(C)C)C1 96244461 IAIOBGCNRXTDAM-SFHVURJKSA-N 332.448 1.897 0 40 EDAB COC[C@H]1CC2(CCN(C(N)=O)CC2)CN1Cc1csc(C)n1 96240363 KHZHYOQUHVFYHC-CQSZACIVSA-N 338.477 1.833 0 40 EDAB CC(C)N1C[C@H](C(=O)O)CN2CCN(Cc3ccsc3)C[C@@H]2C1 96184921 JAQZOPBHHSIMFY-HZPDHXFCSA-N 337.489 1.659 0 40 EDAB c1cc(CN2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)ccn1 96052077 HDCCXLJQVUTURN-MSOLQXFVSA-N 328.416 1.586 0 40 EDAB C[C@@H](Cn1cc(Br)cn1)NCCCc1cnn(C)c1 95421673 OWFNMYXATSUIIJ-NSHDSACASA-N 326.242 1.990 0 40 EDAB O=C([C@@H]1C[C@@H]2CCN(Cc3nccs3)C[C@H]2O1)N1CCCCO1 96066247 JZKRBQBPLFFADF-MELADBBJSA-N 337.445 1.677 0 40 EDAB Cc1cccc(CO[C@H]2COC3(CCN(C(=O)CN(C)C)CC3)C2)n1 96207994 LTWSUGMYYREBKV-QGZVFWFLSA-N 347.459 1.618 0 40 EDAB CN(C)c1nccc(N2CCO[C@H]3CN(Cc4ccsc4)C[C@H]32)n1 96248870 NQBKYQSXQZKTGB-CABCVRRESA-N 345.472 1.694 0 40 EDAB COCCS(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 96415061 FWKASBYBXLASJL-WBVHZDCISA-N 340.489 1.948 0 40 EDAB C[C@H]1CN(C)C[C@@]12COCCN(C(=O)NCc1cccc(F)c1)C2 96070406 RCMYLNZIXLFKKJ-KBXCAEBGSA-N 335.423 1.935 0 40 EDAB COC(=O)c1cc(Br)cc(OCCn2cncn2)c1 92280026 BQVLKCRZTDEXSI-UHFFFAOYSA-N 326.150 1.906 0 40 EDAB CCc1ocnc1C(=O)NC[C@H](CC)NC(=O)c1ncoc1CC 96417002 LHIYDEGTOACQDP-JTQLQIEISA-N 334.376 1.726 0 40 EDAB Cn1cc(CN2CC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)cn1 96209065 JCYAELXTXLVMFK-ROUUACIJSA-N 328.416 1.765 0 40 EDAB O=S(=O)(c1cccs1)N1CCn2cc(Cn3cccn3)nc2C1 96197344 WVXZVSDUDXZYKB-UHFFFAOYSA-N 349.441 1.394 0 40 EDAB CCOC(=O)[C@@H]1Cc2cccc(F)c2N(CCN2CCCC2=O)C1 583651018 FGEPHQZYCCHCHP-CQSZACIVSA-N 334.391 1.990 0 40 EDAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1[nH]nc2c1CCC2 95475450 JLBPVSAGWYPEKB-UHFFFAOYSA-N 346.412 1.691 0 40 EDAB COc1cc(N2C[C@H]3CCN(Cc4ccncc4)C(=O)[C@H]3C2)ncn1 247921469 XTMKVEGTKWPAMV-CABCVRRESA-N 339.399 1.365 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)n1 257274618 NLWUFPOWFYANHT-CYBMUJFWSA-N 344.371 1.571 0 40 EDAB Cc1ccc2nc(C(=O)N[C@@H]3CC[C@@H](N4CCCC4)[C@@H]3O)cn2c1 257341199 ZJHJWNNIAWBJCU-FRFSOERESA-N 328.416 1.360 0 40 EDAB Cc1c[nH]c([C@@H]2CCCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 257280950 ONBDWWXAGFHHFO-CYBMUJFWSA-N 326.466 1.322 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCC(=O)NC12CCC2)c1nc(C(C)(C)C)no1 252480690 CCZWPMJZJKYWDC-QWRGUYRKSA-N 349.435 1.929 0 40 EDAB Cn1c(=O)oc2ccc(C(=O)N3CCO[C@H](c4ccncc4)C3)cc21 257236083 HASCEGNFQCGTIU-INIZCTEOSA-N 339.351 1.740 0 40 EDAB NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccc(Cl)cc1 257336404 YOGFOVNVYAMSNO-INIZCTEOSA-N 330.775 1.747 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)c2cn(C)nc2C)n1 257304550 SMDXPPRLGVHHOI-OAHLLOKOSA-N 342.403 1.132 0 40 EDAB COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2ccnn2C)cc1 257237326 HFZJRULAZMJISB-KRWDZBQOSA-N 342.399 1.474 0 40 EDAB CN1CCC[C@H](CNC(=O)c2ccccc2-n2cc(CN)cn2)C1 257214892 CNWRHTHKALIHRI-CQSZACIVSA-N 327.432 1.403 0 40 EDAB CNc1cc([C@@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)ccn1 257264052 LSSMKYKDRXSVAI-LBPRGKRZSA-N 345.403 1.117 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@@H](c2cc(C)nc(C)n2)C1 257290333 QCMATEJXGCLEJX-CYBMUJFWSA-N 333.417 1.721 0 40 EDAB COC(=O)[C@]1(NCc2ccn(C)n2)CCCN(Cc2ccccc2)C1 585139852 HAKFPSCIWIXOTH-IBGZPJMESA-N 342.443 1.718 0 40 EDAB O=C(NC[C@@]1(O)CCN(c2ncccn2)C1)c1cc2c(s1)CCC2 257200747 AETCJZWAFRKDSM-KRWDZBQOSA-N 344.440 1.398 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1c1cncc(-c2ccc(C(=O)O)cc2)n1 257209043 BOTCAABWNWRXSF-OAHLLOKOSA-N 347.396 1.938 0 40 EDAB Cc1cc2nc(C3CCN(C(=O)Cn4cccn4)CC3)cc(C)n2n1 257284948 PEZNUTGTUXRBGP-UHFFFAOYSA-N 338.415 1.949 0 40 EDAB COc1ccccc1[C@H](CNC(=O)CCn1cncn1)N1CCCC1 41949714 LPFWSHZGFSAXPM-INIZCTEOSA-N 343.431 1.630 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CN(Cc3ccccc3)CCO2)n1 257208418 BMBYDMLDMVXWLB-KRWDZBQOSA-N 326.400 1.686 0 40 EDAB COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)CN)c1 257279487 OGWVZKLKROXRRH-HNNXBMFYSA-N 341.415 1.747 0 40 EDAB COC(=O)[C@H](C)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 355132895 APVXSDUAIWUVIR-ZDUSSCGKSA-N 340.445 1.299 0 40 EDAB O=C(O)c1cccc(N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n1 263444278 YAYNMHGRYZAGCC-LLVKDONJSA-N 339.417 1.078 0 40 EDAB Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCCc1cnoc1 1615551388 SHTPONMKBBWEBY-UHFFFAOYSA-N 338.311 1.338 0 40 EDAB CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2CNC(=O)C2)c1 390835014 AWXBURWJHGWZCD-JTQLQIEISA-N 339.779 1.915 0 40 EDAB CCc1noc(CC)c1CNS(=O)(=O)c1cc(C(=O)O)co1 579119198 UDIFHPXHDLIXCG-UHFFFAOYSA-N 328.346 1.569 0 40 EDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1ccc2c(c1)OCO2 585277611 JBIQGQVSBKBXPL-QGZVFWFLSA-N 334.372 1.173 0 40 EDAB CS(=O)(=O)CCN1C(=O)CC[C@@]12CCCN(CC1CC1)CC2 585100739 VAVGYSLBCILOCC-MRXNPFEDSA-N 328.478 1.288 0 40 EDAB CO[C@@H]1CCN(C(=O)CCOc2cccc(F)c2)C[C@H]1CC(N)=O 585277311 UIOQUGFJJONJPF-IUODEOHRSA-N 338.379 1.334 0 40 EDAB CO[C@]1(CCC(N)=O)CCCN(C(=O)c2cc(F)cc(F)c2)C1 585279673 XBBQSFPSHKAOAT-INIZCTEOSA-N 326.343 1.852 0 40 EDAB O=C(NCCCn1ccnc1)N[C@H]1CCS(=O)(=O)c2ccccc21 47597928 CETCNOUDDAAJMG-AWEZNQCLSA-N 348.428 1.491 0 40 EDAB COc1ccccc1-c1nc(C(=O)N2CCNC(=O)CC2)cs1 58878893 LXOCDDWCGSWLAE-UHFFFAOYSA-N 331.397 1.781 0 40 EDAB Cn1cc(CCC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cn1 55178412 GNPLODADGNTVAU-UHFFFAOYSA-N 344.390 1.476 0 40 EDAB Cn1c(=O)n(C[C@@H](O)COc2ccc3c(c2)OCO3)c2ccccc21 58331998 BGJADLWGWSSESA-GFCCVEGCSA-N 342.351 1.509 0 40 EDAB CNC(=O)c1ccc(NC(=O)N[C@H](C)C(=O)NCc2ccco2)cc1 65607423 QFSWLCDBCUUDPS-LLVKDONJSA-N 344.371 1.466 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1cc(OC)c3c(c1)OCCO3)CC2 69621162 UIPDQTBKHFVAJI-ZDUSSCGKSA-N 344.415 1.725 0 40 EDAB CCOCCN1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 69627191 YUFULAUBRONOEK-QZTJIDSGSA-N 337.508 1.822 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)C(C)(C)n2cc(Cl)cn2)CC1 69929371 PKZPKPGOWMAEIL-ZDUSSCGKSA-N 328.844 1.187 0 40 EDAB COc1cccc(CNC(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)c1 72295245 QSJKKLVLIVEAPU-KRWDZBQOSA-N 347.436 1.967 0 40 EDAB COc1ccc([C@H](O)CNS(=O)(=O)c2ccccc2)cc1OC 170264526 BQADIQWGFBNLOM-CQSZACIVSA-N 337.397 1.716 0 40 EDAB O=C(CCCc1nn[nH]n1)Nc1n[nH]c2nc(C(F)(F)F)ccc12 1607624834 QDASFEDIULRYAL-UHFFFAOYSA-N 340.269 1.451 0 40 EDAB CCN1OC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1=O 1549162664 UQJATFRXWAXYDL-UHFFFAOYSA-N 342.392 1.533 0 40 EDAB COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 11565978 NLPYXGCMGIBYLT-UHFFFAOYSA-N 346.836 1.510 0 40 EDAB CCN1CCN(CCN2CCN3CCc4cccc(c43)C2=O)CC1 19528199 HNAUGMHDNAZWSK-UHFFFAOYSA-N 328.460 1.142 0 40 EDAB COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)O 169748417 PNJFEOGCMIEFTL-RFQIPJPRSA-N 333.340 1.916 0 40 EDAB CC1CCC2(CC1)NN=c1s/c(=C\c3ccc(O)cc3)c(=O)n1N2 1617409 FLBIKYAMFOVZFI-UVTDQMKNSA-N 344.440 1.032 0 40 EDAB CC(C)C(=O)Nc1ccc(SCC(=O)NC[C@@H]2CCCO2)nn1 13702134 WBIKOSHKOIUWEZ-NSHDSACASA-N 338.433 1.458 0 40 EDAB C[C@@H](OC(=O)c1ccccc1O)C(=O)Nc1ccc(C(N)=O)cc1 5784852 ZQZYVPVTMUKDAF-SNVBAGLBSA-N 328.324 1.675 0 40 EDAB CC(=O)Nc1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1 9244979 TUDZHKNLKPRCJH-UHFFFAOYSA-N 336.351 1.994 0 40 EDAB CN([C@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1)S(C)(=O)=O 1888843565 AGGUNMUIMANDII-VIFPVBQESA-N 338.355 1.356 0 40 EDAB Cn1c(N2CCC(NS(=O)(=O)C3CC3)CC2)nc2cccnc21 1888875679 TXGJIQCBJFUXPU-UHFFFAOYSA-N 335.433 1.019 0 40 EDAB Cc1cn2nc(N3CCN(c4ncnc5[nH]cnc45)CC3)ccc2n1 1888922192 GELMWZWRQAURMB-UHFFFAOYSA-N 335.375 1.031 0 40 EDAB CCn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2c3cccnc3sc21 1888930477 SUNHDNZUBVCPBG-JTQLQIEISA-N 331.397 1.972 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)[C@H](C)Oc3ccccc3F)C2)n1 1775985883 GHAJMHKLIFAMDL-ZDUSSCGKSA-N 345.374 1.617 0 40 EDAB O=C(CN1CCOC1=O)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1 238845354 IEMAIKVMSHYHMT-SNVBAGLBSA-N 348.384 1.566 0 40 EDAB CN1N=C(C(=O)NCc2csc(Br)c2)CCC1=O 31422294 RHVHLOUEPKSJNY-UHFFFAOYSA-N 330.207 1.735 0 40 EDAB CCOc1nccn2c(CNC(=O)COc3ccccc3C)nnc12 244969051 GWCKGGHTJUGPHF-UHFFFAOYSA-N 341.371 1.527 0 40 EDAB CC(=O)N(C)[C@H]1CC2(CCN(C3CCOCC3)CC2)OC[C@]1(C)O 2037849799 LTSQKBVQVJJFJE-IRXDYDNUSA-N 340.464 1.018 0 40 EDAB COC(C)(C)C(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037905642 UWQOYJKWFDTPHO-KRWDZBQOSA-N 325.380 1.983 0 40 EDAB COCCn1cnc2c1CCN1CCN(C(=O)C3CC(C)C3)C[C@H]21 1614929343 NHPBTYSVQRUNQU-ZBCRRDGASA-N 332.448 1.317 0 40 EDAB O=C(c1cccs1)N1CCO[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 1565542486 GSJIWVQRVKBDBI-KDOFPFPSSA-N 342.420 1.873 0 40 EDAB O=C(NC1CC2(CCN(C(=O)c3cc[nH]n3)C2)C1)c1ccncc1 1565550775 FQPVKUUMVNRREM-UHFFFAOYSA-N 325.372 1.229 0 40 EDAB COc1ccc(C(=O)NCc2nnnn2-c2ccc(F)c(F)c2)cc1 9570853 WXFMUCQEWHPQRY-UHFFFAOYSA-N 345.309 1.879 0 40 EDAB CC(C)(C)n1ncc2c(=O)n(CCC(=O)Nc3cccnc3)cnc21 12440146 LZDCVHSEXOTVGX-UHFFFAOYSA-N 340.387 1.772 0 40 EDAB CCc1cc(O)nc(-n2ncc(C(=O)NCc3ccco3)c2C)n1 38670871 VDNCLAMPOHDMBD-UHFFFAOYSA-N 327.344 1.762 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2cnn3c2CCCC3)cc1 225612909 HDMWLCVAKAEIAL-UHFFFAOYSA-N 349.412 1.485 0 40 EDAB Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)c3ccno3)n2)s1 49030787 KGKUPSPIIKXMPV-UHFFFAOYSA-N 345.384 1.402 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@@H](Oc2ccncn2)C1 575611552 ZYQUYJUNJXBBHV-KWEXDPCDSA-N 339.351 1.898 0 40 EDAB Cn1ncnc1CN1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1 2298188586 BBDMXKREXBPXEL-LBPRGKRZSA-N 327.379 1.285 0 40 EDAB CCOC(=O)CN1C(=O)S/C(=C\C(=O)Nc2nccs2)C1=O 9914741 QDPCLYXPULLRCY-ALCCZGGFSA-N 341.370 1.224 0 40 EDAB C=COCCCNS(=O)(=O)c1ccc2c(c1)O[C@H](C)C(=O)N2 20569250 AWOLZPYGVOBNRM-SNVBAGLBSA-N 326.374 1.235 0 40 EDAB COc1ccccc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O 80223 XVRMOWDJQRLYCS-UHFFFAOYSA-N 348.424 1.778 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccnc1Nc1ccccc1F 40467871 JQZJGDSZOCRNDT-LLVKDONJSA-N 349.387 1.881 0 40 EDAB CN(C)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cn1 40487632 HCGBKPBTUCZQDH-CQSZACIVSA-N 327.388 1.366 0 40 EDAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCN1CCOCC1 20567978 KKJPWRHESPISNW-HNNXBMFYSA-N 326.824 1.946 0 40 EDAB CC(C)Oc1ncc(C(=O)NCC(=O)Nc2cn[nH]c2)cc1Cl 51412978 PJVLOXVUQOWOCU-UHFFFAOYSA-N 337.767 1.614 0 40 EDAB CC[C@@H](C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=O 2624785 KDWOQCZVSZICCJ-KCJUWKMLSA-N 338.351 1.884 0 40 EDAB CC(C)(C)NC(=O)NC(=O)COC(=O)[C@]1(C)CC1(Cl)Cl 2660936 WWFCUTQHVGCWCP-NSHDSACASA-N 325.192 1.738 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)N1CCO[C@H]2CCCC[C@@H]21 69771297 MXNLQVWZXUIHNS-ULQDDVLXSA-N 347.463 1.160 0 40 EDAB O=C(OCC(=O)N1CCc2ccccc21)[C@@H]1COc2ccccc2O1 6055808 AERHEGAKBCZHON-KRWDZBQOSA-N 339.347 1.959 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)OC)CC2)cc1 7212077 JHPIKLRIEFLVJY-UHFFFAOYSA-N 327.402 1.659 0 40 EDAB O=C1CN(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 11903794 UKJDENHNRUPGET-SJORKVTESA-N 342.420 1.705 0 40 EDAB CCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475836 ZDZXQASMSZTVKG-UHFFFAOYSA-N 328.434 1.912 0 40 EDAB O=C(NCc1ccc2c(c1)OCCO2)c1cnn(-c2ccccc2)n1 17859895 ZCIOVRSMNBDLPQ-UHFFFAOYSA-N 336.351 1.969 0 40 EDAB Cc1ccccc1C(=O)NC1CCN(Cc2nnc(C)n2C)CC1 52747907 VJDNCMPSEPHJQQ-UHFFFAOYSA-N 327.432 1.826 0 40 EDAB O=C(NCCNc1ncccn1)C1CCN(CC(F)(F)F)CC1 52776072 LEHSHKJDDLTHFC-UHFFFAOYSA-N 331.342 1.279 0 40 EDAB C[C@H](C(=O)N1CCC(c2nc3ccccc3o2)CC1)S(C)(=O)=O 46761787 KLKULRJKKXKDAC-LLVKDONJSA-N 336.413 1.967 0 40 EDAB CCCn1nc(C(=O)N2CCN(C)C[C@@H]2C)c2ccccc2c1=O 89960603 ZQFACCPQORFBIM-ZDUSSCGKSA-N 328.416 1.583 0 40 EDAB CC(C)NC(=O)NC(=O)[C@H](C)Sc1nc(N)c2ccsc2n1 9209210 NNBVMNSNSIZZIY-ZETCQYMHSA-N 339.446 1.988 0 40 EDAB CCN1C(=O)C[C@H](N2CCC(NC(=O)c3ccc(F)cc3)CC2)C1=O 22145848 VIHWPBKKAXEKKA-HNNXBMFYSA-N 347.390 1.167 0 40 EDAB CC(=O)NCCNC(=O)N[C@H](C)Cc1ccccc1Br 89904207 ZUHXEXZOVGSCKD-SNVBAGLBSA-N 342.237 1.815 0 40 EDAB CCCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1 33595645 DXGIRJOVSCCNEX-UHFFFAOYSA-N 342.461 1.164 0 40 EDAB CN(C)C(=O)Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 103493199 XQHSCCIYHVMQEV-PYTWLRIVSA-N 342.395 1.779 0 40 EDAB CCc1ccc(CNS(=O)(=O)c2cc(C(=O)O)n(C)c2)s1 226373722 ZDIPGMRWMZOOHQ-UHFFFAOYSA-N 328.415 1.826 0 40 EDAB NS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ccccc2)CC1 24653701 ZOVJDEBNTCDCKM-OAHLLOKOSA-N 337.445 1.266 0 40 EDAB CSc1nc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c2ccccn12 106519129 VXLLGBYPGLGHFE-STQMWFEESA-N 346.456 1.649 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N(C)c2ccc(C(N)=O)cc2)cc1 55985496 AFUAKGHHZGRALP-LFYBBSHMSA-N 337.379 1.821 0 40 EDAB CCOC(=O)N[C@H]1CCCN(Cc2c(O)nnn2-c2ccccc2)C1 57086794 BXJXKJFBVSJRED-ZDUSSCGKSA-N 345.403 1.683 0 40 EDAB C[C@H](NC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1)c1ccccc1 35360316 LQDOWKCHJLKZFM-KSSFIOAISA-N 337.423 1.695 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 108131554 ZESYLQJTLYQRMX-PMPSAXMXSA-N 345.447 1.819 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)cc1Cl 12602848 AKEXXVDPWZEXRC-ZDUSSCGKSA-N 339.779 1.864 0 40 EDAB O=C(COc1ccc(F)cc1)Nc1cnn(CC(=O)NC2CC2)c1 57985184 PYDLKRNIQBUXRX-UHFFFAOYSA-N 332.335 1.318 0 40 EDAB NC(=O)CCN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 27208449 SWZYRDVRXRKDIS-UHFFFAOYSA-N 349.822 1.383 0 40 EDAB COCCNC(=O)c1ccc(N[C@@H]2CCN(CC(F)(F)F)C2)nc1 75610908 IYQDCPNGRZEHIU-GFCCVEGCSA-N 346.353 1.506 0 40 EDAB Cc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)c2[nH]ncc12 58023214 AEEASJGMHOSKCR-UHFFFAOYSA-N 327.369 1.786 0 40 EDAB Cc1cc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)no1 58192771 KVAZUGXNDJITGA-UHFFFAOYSA-N 349.412 1.897 0 40 EDAB COc1cc(/C=C/C(=O)N2CCOC(C)(C)C2)ccc1OCC(N)=O 27640175 QZRNBZVPQPOSEY-FNORWQNLSA-N 348.399 1.210 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(Cc3nnc(C4CCC4)o3)CCO2)n1 76049575 DUQARFMKMBZOHO-LBPRGKRZSA-N 332.408 1.981 0 40 EDAB CC(C)(C)n1ncc(C(=O)N2CCC(C(N)=O)CC2)c1C(F)(F)F 44944126 XQVHAOZKTQVCMT-UHFFFAOYSA-N 346.353 1.994 0 40 EDAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 44966267 YDSUPGDCBZKMEY-MWLCHTKSSA-N 332.372 1.854 0 40 EDAB COc1ncccc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 44943705 RLBCOGPWJAJUCM-ZDUSSCGKSA-N 342.399 1.640 0 40 EDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccc2c(c1)CCO2 44916334 VXBNJPRGKPTZNQ-IAGOWNOFSA-N 346.427 1.089 0 40 EDAB COCCN1CCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1F 58429203 HCUMFBRKVKUCIN-LBPRGKRZSA-N 334.388 1.354 0 40 EDAB O=C(NCc1nnnn1C1CC1)[C@H]1CCCCN1Cc1ccncc1 81303275 ROBYYCHDUUGQTE-OAHLLOKOSA-N 341.419 1.074 0 40 EDAB CC(C)NC(=O)COC(=O)c1ccccc1I 3391275 GLJSPLTWBMZWJX-UHFFFAOYSA-N 347.152 1.973 0 40 EDAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CCO[C@H](C)C3)ccc21 10681988 KIYQHAFEFFNSBP-GFCCVEGCSA-N 338.429 1.395 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CC[C@](O)(C(F)(F)F)C1 81478275 ICPKHPKYGBUUAT-SMDDNHRTSA-N 330.306 1.699 0 40 EDAB C[C@H](NC(=O)[C@@H](C)Sc1nc(N)nc(N)n1)c1ccc(F)cc1 11097326 IEYMJTSLCNUBOV-JGVFFNPUSA-N 336.396 1.533 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1nn(-c2ccccc2)cc1OC 48250444 IBGUBSVSUFADSS-AWEZNQCLSA-N 344.415 1.771 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 48308548 JALWYEAPWJGYJZ-UHFFFAOYSA-N 343.383 1.813 0 40 EDAB CCCCS(=O)(=O)N[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 12872972 WUNAORNVFLKQLK-LLVKDONJSA-N 342.417 1.140 0 40 EDAB O=C1CN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CCN1 3540089 MSXWDSCQLDGAAW-UHFFFAOYSA-N 339.395 1.636 0 40 EDAB COCCc1noc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)n1 69848122 XUFGLIXOPXNIGI-CYBMUJFWSA-N 332.408 1.149 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cc(CC)c(C)s2)CC1 69879851 BCHNMXRONMVRTK-HNNXBMFYSA-N 340.489 1.774 0 40 EDAB CC[C@]1(C(C)C)NC(=O)N(CC(=O)NCCOc2ccccc2)C1=O 69800572 KZPHYCNBVSVESS-GOSISDBHSA-N 347.415 1.538 0 40 EDAB CC(=O)N1CCN(CCNC(=O)[C@H]2C[C@@H]2c2cccc(C)c2)CC1 69372612 WPKPAHYEOADFQA-MSOLQXFVSA-N 329.444 1.379 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3Cl)c2)C1 49992799 SFWNXLJWOMSHSC-NSHDSACASA-N 332.791 1.863 0 40 EDAB O=C(NCCCn1cncn1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 65390764 LAKUVSGAVSCPJN-GJZGRUSLSA-N 337.424 1.038 0 40 EDAB CCS(=O)(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 69417207 AMQPTKPXIGUNQK-UHFFFAOYSA-N 333.475 1.697 0 40 EDAB O=C(COCC(=O)N1CCc2ccccc2C1)NCc1ccccc1 13942256 UPWWLHCTUSNMNK-UHFFFAOYSA-N 338.407 1.904 0 40 EDAB CN(Cc1c(F)cccc1Cl)C(=O)Nc1cnn(CC(N)=O)c1 65436926 WSILQIONFCNALR-UHFFFAOYSA-N 339.758 1.825 0 40 EDAB Cn1ccnc1[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1F 65503983 GZYLKUGLQAWQQR-OAHLLOKOSA-N 326.331 1.767 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C 65562777 ULPDZVKXPUDVRI-RYUDHWBXSA-N 343.493 1.355 0 40 EDAB CCN1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)CC1 408624516 QPLHMOXEWVSPHV-UHFFFAOYSA-N 325.434 1.280 0 40 EDAB Cc1cn2c(=O)c(C(=O)Nc3ccccc3C(N)=O)cnc2s1 4517338 LGZLLROVFGDQES-UHFFFAOYSA-N 328.353 1.416 0 40 EDAB COc1cccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1 4551270 GVOAMDNBJWYQAI-UHFFFAOYSA-N 332.400 1.406 0 40 EDAB O=S(=O)(c1cccc(-c2nnc(S)o2)c1)N1CCOCC1 5785974 RNPILHVKCRFDKZ-UHFFFAOYSA-N 327.387 1.046 0 40 EDAB CN(CCc1ccccn1)C(=O)CNC(=O)N(C)CC1CCCC1 67090273 ZZHBHWYJROQLLG-UHFFFAOYSA-N 332.448 1.914 0 40 EDAB COCCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cccc2c1OCCO2 69567456 KBWIMMOKZHZBFW-CZUORRHYSA-N 349.383 1.859 0 40 EDAB COc1cc(OC)c(C2=NO[C@H]3[C@H]2[C@@H](OC)O[C@H]3OC)c(OC)c1 15231079 ZCDCZGUJYGSULM-QCEMKRCNSA-N 339.344 1.407 0 40 EDAB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccnc(N(C)C)c1 69531021 JOXOHJIVOUCTIK-KRWDZBQOSA-N 347.507 1.636 0 40 EDAB Cc1nc(C)c([C@H](C)N(C)C(=O)NCCN2CCOCC2)s1 69900671 IZCMHXYGSXUYBM-LBPRGKRZSA-N 326.466 1.795 0 40 EDAB COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(OC)c(OC)c1 7246367 DEGXRHWZEJRMAA-LBPRGKRZSA-N 345.417 1.570 0 40 EDAB Cc1cc(C)nc(NNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 7385617 OZNSCUMIJQOPAX-UHFFFAOYSA-N 336.373 1.170 0 40 EDAB CC(=O)N(C)CC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 69600037 OQBRJUAWSZYBMR-UHFFFAOYSA-N 341.452 1.809 0 40 EDAB Nc1nc(N)nc(COC(=O)C2(c3ccc(F)cc3)CCCC2)n1 7504429 XLLMBPFLXKWCGA-UHFFFAOYSA-N 331.351 1.730 0 40 EDAB COC(=O)Cn1cc(NS(=O)(=O)c2cc(C)cc(F)c2)cn1 176694544 KYDHTKZUOVVDCL-UHFFFAOYSA-N 327.337 1.304 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCO[C@@H](c3nc(C)n[nH]3)C2)s1 78888708 QCZLWNBVPBRPPF-GFCCVEGCSA-N 349.416 1.024 0 40 EDAB COCc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1 70961293 AHMPMNDUBLSMTK-UHFFFAOYSA-N 342.399 1.549 0 40 EDAB Cc1noc([C@H]2COCCN2Cc2ncn(-c3ccccc3)n2)n1 97096283 KCJCVABHKGMPHT-CQSZACIVSA-N 326.360 1.532 0 40 EDAB OC[C@@H]1CCCN1c1cc(N2CCN(c3ccncc3)CC2)ncn1 72276017 QPGSQMSFLDUKOP-INIZCTEOSA-N 340.431 1.159 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc(=O)n(C)n1 72234185 PTGDVGGEHHIOLN-NSHDSACASA-N 335.795 1.453 0 40 EDAB Cc1ccc(N2CCN(C(=O)c3nn(C)cc3C(=O)O)C[C@@H]2C)cc1 20615143 ORMNPOIJDAWREE-ZDUSSCGKSA-N 342.399 1.778 0 40 EDAB Cc1nn(CCO)c(C)c1CNCCCNC(=O)OC(C)(C)C 72274455 MZXRPHDAVARSDL-UHFFFAOYSA-N 326.441 1.497 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)C2)no1 72232257 UEZGANCPPHGYRN-GFCCVEGCSA-N 341.371 1.578 0 40 EDAB Cc1noc([C@H](C)NS(=O)(=O)N2CCC[C@@H]2c2ccco2)n1 84286503 RMBIQFNZLGINPB-GXSJLCMTSA-N 326.378 1.704 0 40 EDAB CN(C)C(=O)CN(CC(F)(F)F)C(=O)[C@@H]1Cc2cccc(F)c2O1 96425029 JDOMFBZSDHZMPI-NSHDSACASA-N 348.296 1.608 0 40 EDAB CCC[C@H](NC(=O)Cn1ncn2nccc2c1=O)C1CCCCC1 78996412 QWRBALBGUJOJQM-AWEZNQCLSA-N 331.420 1.756 0 40 EDAB COc1c(C(=O)NCc2n[nH]c(=O)[nH]2)sc(C)c1Br 78998487 NVWZOJIUZNSUQR-UHFFFAOYSA-N 347.194 1.169 0 40 EDAB O[C@@H](COCc1cccs1)CN1CCCC[C@@H]1Cn1cncn1 71877016 DTIRHOGQVQEZNC-HUUCEWRRSA-N 336.461 1.772 0 40 EDAB Cc1ccc2c(c1)S[C@@H](C(=O)N1CCCN(CC(N)=O)CC1)C2 71829347 YMYCPCDJPXKCMX-OAHLLOKOSA-N 333.457 1.031 0 40 EDAB Cc1cnn(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 71821499 AIFDSMDSURHKSW-UHFFFAOYSA-N 342.399 1.265 0 40 EDAB COc1ccccc1N1CCN(C(=O)CCn2cc(C)cn2)CC1 71819770 OMGSFOKBEMSQDG-UHFFFAOYSA-N 328.416 1.939 0 40 EDAB O=C(CCc1nc(-c2cccnc2)no1)N1CCN2CCCC[C@H]2C1 71839769 QVQKGGGDKUNGNX-HNNXBMFYSA-N 341.415 1.761 0 40 EDAB C[C@@H](C(=O)NC[C@H]1CCOC1)N1CCN(c2ccc(F)cc2)CC1 71897933 QNCSTPNPJXTVKI-LSDHHAIUSA-N 335.423 1.489 0 40 EDAB CN(CCn1cccn1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 71870847 JDUSKAUYCJHQGA-OAHLLOKOSA-N 330.436 1.740 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](c4cc(C)[nH]n4)C3)nc2n1 72301158 CKBURHBLVKFXCC-CYBMUJFWSA-N 339.403 1.792 0 40 EDAB CC(C)OCCN1CCN(C(=O)CN2CCCCCCC2=O)CC1 72307177 AFRGEHSCNBMISI-UHFFFAOYSA-N 339.480 1.348 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(Cc3nnsc3Cl)C2)C1=O 84597387 NENMVRVETXNWIM-GFCCVEGCSA-N 329.813 1.096 0 40 EDAB O=C(CCN1CCN(c2ccccc2)CC1)NC1CCC(O)CC1 72794331 FLNNDXKUFAOGPM-UHFFFAOYSA-N 331.460 1.618 0 40 EDAB COc1ccc2c(c1)CCN2C(=O)CCn1nc2ccccn2c1=O 95394702 VNPHMEYACKLMQQ-UHFFFAOYSA-N 338.367 1.484 0 40 EDAB Cc1nc(CN(C)[C@@H]2CCN([C@@H](C)c3nc(C4CC4)no3)C2)no1 95402258 PQJCCINXCLIKQK-GXFFZTMASA-N 332.408 1.906 0 40 EDAB COCc1nc2n(n1)CCC[C@H]2Nc1ncc(Br)cn1 95415156 XUEFMBIMTBUSGR-SECBINFHSA-N 339.197 1.924 0 40 EDAB C[C@H](NC(=O)C[S@](=O)[C@@H](C)c1ccccc1Cl)C(=O)N(C)C 95966704 OOFKQARELNDUEU-WEVHURDZSA-N 344.864 1.743 0 40 EDAB CC(=O)c1cn(Cc2csc(-c3ccccn3)n2)c(=O)n(C)c1=O 89368549 OKWKWYOFZQUIPI-UHFFFAOYSA-N 342.380 1.316 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)N2CCc3ccc(Cl)cc3C2)C1 89382516 USHRLCNTHJHLFZ-MRXNPFEDSA-N 336.867 1.654 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 89505760 BYGOWHVHVLXBJW-ZWNOBZJWSA-N 333.436 1.030 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H](C)c1cccnc1 75121459 JHUUWZXYRJHPHB-GFCCVEGCSA-N 349.394 1.955 0 40 EDAB CN(CC1CC1)S(=O)(=O)NCCc1nc2ccc(F)cc2n1C 75103598 IEOYTRRQYNBTEB-UHFFFAOYSA-N 340.424 1.431 0 40 EDAB C[C@H](NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1)[C@H]1CCCO1 89894312 BTGJTHZGJZRRGQ-CWRNSKLLSA-N 332.400 1.098 0 40 EDAB CCOC(=O)C1=C(CN2C[C@H](C)O[C@H](C)C2)NC(=O)N[C@@H]1CC 32642299 LDBDWMDKBYEMAL-GRYCIOLGSA-N 325.409 1.004 0 40 EDAB O=C(O)[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(Br)o2)C1 548265168 WPNXUFWXUFAHMI-NKWVEPMBSA-N 336.163 1.350 0 40 EDAB CN1CCN(C(=O)CSc2nnc(Cc3ccccc3)n2C)CC1 409216513 ISVRJKMKRDDOOG-UHFFFAOYSA-N 345.472 1.272 0 40 EDAB O=C(C[C@@H](c1ccsc1)n1cccc1)N[C@@H]1CCS(=O)(=O)C1 524733601 XZUZDHXXDRKOIK-KGLIPLIRSA-N 338.454 1.832 0 40 EDAB C[C@H]1C[C@@H]1CNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F 32390707 YOVWIASKPMVYRN-JGVFFNPUSA-N 341.293 1.360 0 40 EDAB Cc1cc(C)n(-c2cncc(N3CCC(C(=O)N(C)C)CC3)n2)n1 78979661 BJKPFILOTZKMLU-UHFFFAOYSA-N 328.420 1.584 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 78113876 QVYMKUSDEHHILW-RDTXWAMCSA-N 342.443 1.807 0 40 EDAB O=C(NCCc1nc(-c2ccco2)n[nH]1)c1noc2c1CCCC2 78912103 YBXPDRTYVQEEEM-UHFFFAOYSA-N 327.344 1.904 0 40 EDAB O=C(NCc1nncn1C1CC1)[C@H]1CCCCN1Cc1cccnc1 73111479 DVULCWHVAPILGL-MRXNPFEDSA-N 340.431 1.679 0 40 EDAB O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 72368746 LQQVRMAOGCUUIE-LLVKDONJSA-N 331.401 1.854 0 40 EDAB CS(=O)(=O)N1CCN(c2c(Cl)cccc2-n2cnnc2)CC1 72230185 BWYWWYYKQPGCRL-UHFFFAOYSA-N 341.824 1.002 0 40 EDAB CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)S(C)(=O)=O 79038235 UVEDVKINYIUYFY-MRVPVSSYSA-N 333.431 1.859 0 40 EDAB CN(C)[C@@H](CNC(=O)CN1CCCNC1=O)c1c(F)cccc1F 79362574 XJUDWGXWGZAEAO-ZDUSSCGKSA-N 340.374 1.099 0 40 EDAB Cn1cc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)nn1 567159994 ARHWRANHRVGBJF-CQSZACIVSA-N 331.445 1.661 0 40 EDAB NCCn1ncc2c(=O)n(Cc3cccc(Br)c3)cnc21 85398358 OYDONWJLKDGQMS-UHFFFAOYSA-N 348.204 1.363 0 40 EDAB O=C(Cn1cccn1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225732895 RDHWDLQBENFWLI-GFCCVEGCSA-N 340.305 1.977 0 40 EDAB NC(=O)[C@@H]1CCCCN1CC(=O)Nc1cccc(N2CCCC2=O)c1 40477534 DKQGIEMUTRFIQL-HNNXBMFYSA-N 344.415 1.092 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)s1 193636424 MRXGGUIQYZYMLP-UHFFFAOYSA-N 328.401 1.457 0 40 EDAB C[C@H](O)CNC(=O)c1ccc(=O)n(-c2cccc(C(F)(F)F)c2)c1 223329509 SSZVPOMLYHGXDK-JTQLQIEISA-N 340.301 1.967 0 40 EDAB Cc1ccc(NCc2cncc3c2CCN([C@@H]2CCOC2)C3)nn1 96067456 QUQAZDFBLHZLPO-MRXNPFEDSA-N 325.416 1.939 0 40 EDAB CN(Cc1cncnc1)[C@H]1CN(Cc2ccco2)[C@@H]2CCCO[C@H]12 96065214 RSLVFLQURPGTPY-SQNIBIBYSA-N 328.416 1.933 0 40 EDAB Cc1cnc(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)cn1 96410219 SHMMFDOYDVGASH-OAHLLOKOSA-N 340.431 1.121 0 40 EDAB CN(C)C(=O)N1Cc2nnn(C)c2[C@H](COCc2ccccn2)C1 96045507 UJXFJMRKDLYHSA-LBPRGKRZSA-N 330.392 1.008 0 40 EDAB O=C(C1CCOCC1)N1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 96050822 KEAFBCKUKVDXEN-GOSISDBHSA-N 329.400 1.464 0 40 EDAB O=C1C[C@H](c2cccnc2)C2(CCN(C(=O)[C@@H]3CCOC3)CC2)N1 96069721 CSVWZCYSHSHLFL-HUUCEWRRSA-N 329.400 1.083 0 40 EDAB O=C(Cn1cnnn1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 96412625 OLNYEEWIZNAKPP-HNNXBMFYSA-N 335.795 1.299 0 40 EDAB Cc1ccc([C@@H]2[C@@H](C(=O)NCc3ccccn3)OCC(=O)N2C)cc1 96181503 MOJIXTPNNCZMFW-MSOLQXFVSA-N 339.395 1.605 0 40 EDAB Fc1cnc(N[C@@H]2CO[C@]3(CCCN(c4ncccn4)C3)C2)nc1 96048513 CYCPZSQBLYORDS-XJKSGUPXSA-N 330.367 1.646 0 40 EDAB CCOc1cc(C)nc(N2CCN(C[C@H](O)C(F)(F)F)CC2)n1 97378036 SRTNISDTGMNITH-NSHDSACASA-N 334.342 1.229 0 40 EDAB CCOCC(=O)N1CC[C@H](OC)[C@H]2CN(Cc3cccnc3)C[C@H]21 96109473 IMROCNWICRYASQ-BBWFWOEESA-N 333.432 1.166 0 40 EDAB C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cccs1 96025990 HZXAXROOLAOTDV-HNNXBMFYSA-N 339.438 1.869 0 40 EDAB CN(C)S(=O)(=O)N1Cc2cccn2[C@@H](COc2ccccn2)C1 247953937 NIBFNCHPKREEBZ-CQSZACIVSA-N 336.417 1.125 0 40 EDAB CCc1nc(C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)co1 583622104 NVACILMOKOZNTM-WCQYABFASA-N 347.419 1.970 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)cn1 583616746 MGPWJRBRZKJHAN-RRFJBIMHSA-N 327.450 1.514 0 40 EDAB Cc1cccc(N2CCC[C@@H](NC(=O)c3cnn4cccnc34)C2)n1 257298847 RNMLZYPERIPIEG-CQSZACIVSA-N 336.399 1.832 0 40 EDAB Cc1cnc(C(=O)N2Cc3ccnn3[C@@H](CCOCC3CC3)C2)cn1 253601981 YZCHYEARHISYSM-INIZCTEOSA-N 341.415 1.995 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@H](Oc4cnccn4)CCO3)C2)on1 253600536 RYMYBKFWKKFVIJ-GFCCVEGCSA-N 330.344 1.226 0 40 EDAB CC(=O)N1CCN(Cc2ccc3ncccc3c2)C[C@H](C(N)=O)C1 257213762 CIZLCFAZMVXYCE-INIZCTEOSA-N 326.400 1.000 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@@H](Cc3nccn4cccc34)C2)no1 257228941 FVYGFCUBWSELLJ-AWEZNQCLSA-N 340.383 1.962 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2noc(C)c2COC)CCO1 257200078 ABXBRKDBODFGNM-GFCCVEGCSA-N 347.375 1.175 0 40 EDAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2ccn(C)n2)ccn1 257339151 ZAKCAKITWAHKDG-MRXNPFEDSA-N 327.388 1.429 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@H](c3nccc(C)n3)C2)cc1 257201509 AHYBNAGUPGOVHY-ZDUSSCGKSA-N 333.413 1.972 0 40 EDAB CNC(=O)c1cc([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n[nH]1 257326772 WYNMCAHASXKGQY-GFCCVEGCSA-N 330.363 1.467 0 40 EDAB Cc1nccc(C(=O)N2CCC[C@@H](Cc3cnc(N)cn3)CC2)n1 257304813 SNFRZFRXQKGAQU-CYBMUJFWSA-N 326.404 1.642 0 40 EDAB Cc1cc(C(=O)N2[C@@H]3CN(C)[C@@H]4CCCC[C@H]2[C@]4(C)C3)nc(N)n1 257257675 KQRHOJKGNRXTIU-WLLUSJSYSA-N 329.448 1.845 0 40 EDAB CCCCCOCC(=O)N1CCN(CC(=O)NCCCC)CC1 585146004 RYFJTSMAHIONMW-UHFFFAOYSA-N 327.469 1.254 0 40 EDAB O=C(c1ccnc(N2CCCC2)c1)N1CC[C@@](O)(CN2CCCC2)C1 257284678 PDTXEBNVSDIDNR-LJQANCHMSA-N 344.459 1.355 0 40 EDAB Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)O)cc1C 262960393 LYQXXRLCFMYSCG-ZOBUZTSGSA-N 344.411 1.745 0 40 EDAB Cc1ccccc1-c1noc(CN2C(=O)[C@@H]3CCCN3S2(=O)=O)n1 1615587618 NTPSAKGOBAKICI-LBPRGKRZSA-N 348.384 1.096 0 40 EDAB CN1C(=O)COC12CCN(C(=O)c1noc3c1CC(C)(C)CC3)CC2 1615590237 KHGJNZWBMYYTRT-UHFFFAOYSA-N 347.415 1.610 0 40 EDAB CC1(C)CNC(=O)c2c(C(=O)N[C@@H]3C[C@H](N)C34CCC4)coc2C1 1615555868 YUMLGZVICRAMAU-QWHCGFSZSA-N 331.416 1.591 0 40 EDAB CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2F)C1 96122021 ZQNJDWIUJNJDJT-UHFFFAOYSA-N 335.422 1.269 0 40 EDAB CC(C)CC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cccnc3)[C@H]2C1 575405149 RIWIXNNKFFORFJ-ARFHVFGLSA-N 331.416 1.331 0 40 EDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2ccnc(OC)c2)C1 585277046 JNZNNWCSZDQLEC-KRWDZBQOSA-N 335.404 1.238 0 40 EDAB O=C(NC[C@H]1CN(Cc2cccnc2)Cc2ccnn21)N1CCCC1 585113091 ZQHGLDPFKJGJRY-KRWDZBQOSA-N 340.431 1.640 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)C2(c3ccccc3)CCCC2)[C@@H]1O 585287094 TVMDJNYPVMAOTR-ZACQAIPSSA-N 333.428 1.732 0 40 EDAB O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCO2)C1 56779761 WVNOCVMCYINORX-NEPJUHHUSA-N 338.433 1.682 0 40 EDAB COc1ccc(Br)cc1CNC(=O)c1ccc(O)nn1 58250987 PTUWYDCQGIPXNG-UHFFFAOYSA-N 338.161 1.883 0 40 EDAB Cc1ccc(CC(=O)N2CCN(Cc3nnnn3C3CC3)CC2)cc1 58326511 IOGLLQQGWBXQRQ-UHFFFAOYSA-N 340.431 1.203 0 40 EDAB O=C([C@H]1CCCCN1C(=O)c1cc(F)cc(F)c1)N1CCOCC1 66486402 YISRPJRNRWWYNA-OAHLLOKOSA-N 338.354 1.818 0 40 EDAB c1cnn(C[C@H]2CN(Cc3nc(-c4ccsc4)no3)CCO2)c1 69376511 YCBUNDZDQSMZSL-CYBMUJFWSA-N 331.401 1.896 0 40 EDAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@H](Cn2cncn2)C1 69843134 CLPQJBBEIUXCDR-KBPBESRZSA-N 338.415 1.988 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1cnn(C)c1C1CC1)C2 70039926 AVSOHDPJSIQKFC-UHFFFAOYSA-N 326.404 1.718 0 40 EDAB CO[C@H]1CCN(C2CCN(C(=O)c3ccc4nccnc4c3)CC2)C1 1565522526 SLDFPLAWDITYES-INIZCTEOSA-N 340.427 1.955 0 40 EDAB CCOCC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96373857 IKOANLJVUJNHJR-UHFFFAOYSA-N 329.393 1.627 0 40 EDAB Cc1[nH]ccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCC(CO)CC1 97036917 ZUPDJTYNGWTQLT-MRXNPFEDSA-N 335.448 1.699 0 40 EDAB Cc1cc(N2CCC[C@H](NC(=O)NCc3cnccn3)C2)nc(C)n1 1615614823 LGJIPNZKHOEVEK-AWEZNQCLSA-N 341.419 1.352 0 40 EDAB COCc1cc(O)nc(N2CC[C@@H](NC(=O)c3ccccc3O)C2)n1 1616031987 HFUMDHRWPYAOBK-LLVKDONJSA-N 344.371 1.043 0 40 EDAB Cc1c(Cl)cccc1NC(=O)CSc1nncc(=O)n1N 12347766 CPSAIHSTPLVZDF-UHFFFAOYSA-N 325.781 1.045 0 40 EDAB O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)N(Cc2ccc(F)cc2)C1 15674033 PPIXAXOIZRHJCN-HIFRSBDPSA-N 341.346 1.974 0 40 EDAB biogenic,in-vitro CC(=O)NCCn1nc([C@@H]2CCN(C(=O)C3CC3)C2)c2cccnc21 19021614 ILMFOOFJSJEGTM-CQSZACIVSA-N 341.415 1.293 0 40 EDAB O=C([C@H]1CN(c2ncccn2)CCO1)N(Cc1ccccn1)C1CC1 19747275 OJYSZNBEZOGCJT-MRXNPFEDSA-N 339.399 1.268 0 40 EDAB CNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935165 TUTADUNPTRPXKR-UHFFFAOYSA-N 332.809 1.249 0 40 EDAB CCOC(=O)C1CCN(C(=S)NC(=O)Cc2ccccc2)CC1 13624862 XAPFJELLEGFBIA-UHFFFAOYSA-N 334.441 1.905 0 40 EDAB O=C([C@@H]1CN(c2cc(C3CCC3)ncn2)CCO1)N1CCCCC1 1888834742 PUVSDCGGZXLEFO-INIZCTEOSA-N 330.432 1.962 0 40 EDAB COc1ncccc1C(=O)N1CC[C@@H](COc2ccc(C)nn2)C1 1888853680 MIRVSIKEWRLWDB-CYBMUJFWSA-N 328.372 1.730 0 40 EDAB O=C([C@H]1CN(Cc2cc(F)cc(F)c2)CCO1)N1CCOCC1 1889119634 LORSCVHIACCTHK-OAHLLOKOSA-N 326.343 1.024 0 40 EDAB C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 26225762 ILYZJLPJNJFISK-LRDDRELGSA-N 332.425 1.967 0 40 EDAB CCN1C(=O)CC[C@H]1c1nc(CNC(=O)c2cccc(C)c2)no1 1775963885 IETOWYFHEXEZGS-ZDUSSCGKSA-N 328.372 1.991 0 40 EDAB biogenic,in-vitro Cn1cnc(C(=O)N2CCC[C@@]3(CCCN(c4ncccn4)C3)C2)c1 2056223664 ZCYNLTTVHDITLR-GOSISDBHSA-N 340.431 1.733 0 40 EDAB Cc1ccc(N2C[C@@H](NC(=O)NC[C@@H]3CCCO3)CC2=O)cc1C 4373189 LLHDEFCASKVQFT-HOCLYGCPSA-N 331.416 1.887 0 40 EDAB CCCNC(=O)Cn1cnc2c(cnn2-c2ccccc2C)c1=O 4479073 JWDSTEKCQTUPCN-UHFFFAOYSA-N 325.372 1.417 0 40 EDAB COc1ccc(CCNC(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 9823409 BTBKJRZQNDBCTI-KRWDZBQOSA-N 339.395 1.864 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2cc(C)cc(C)c2)C1 2055772455 KOLRGTYERYGRNP-IBGZPJMESA-N 340.427 1.877 0 40 EDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1ccc3c(c1)OCO3)C2 585150385 UFZQQCMCPRZSCW-ZDUSSCGKSA-N 340.383 1.559 0 40 EDAB CCOc1ccccc1CCC(=O)N1CC(N2C(=O)[C@H]3C[C@H]3C2=O)C1 585388331 VQUIXIAXXZFANB-GASCZTMLSA-N 342.395 1.234 0 40 EDAB CCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)CCSC)cc1 75157631 QPCPQMXRYWNZJM-MRXNPFEDSA-N 340.445 1.644 0 40 EDAB COc1cc(CNCCN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC 30663152 ZHXVPIXUIJDALL-KBPBESRZSA-N 338.448 1.911 0 40 EDAB Cn1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1=O 30614444 VFSLZVXRSZDQKT-UHFFFAOYSA-N 325.368 1.664 0 40 EDAB CCOC(=O)[C@@H](N)CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100566600 YWBAIGPKLVDRPY-RYUDHWBXSA-N 340.376 1.081 0 40 EDAB biogenic CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)cc1 40525165 MMRSGOSJIGDHBM-INIZCTEOSA-N 347.392 1.546 0 40 EDAB Cc1ccc(-n2ncc(C(=O)N[C@H]3CCCCNC3=O)c2C)cc1 40521888 BSXRKZJEJIBNNP-INIZCTEOSA-N 326.400 1.888 0 40 EDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc2c(c1)CCO2 31936184 YZKHWVQRPWGDOI-SFHVURJKSA-N 348.468 1.559 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 29189486 GASRAJIABWEONT-AWEZNQCLSA-N 340.445 1.628 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(c2ccccc2)CC1 106452 AOYOJRPTFNGWOE-UHFFFAOYSA-N 348.406 1.745 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccccc2OC(C)=O)S1 201312 CZUHJMYQXZSCIW-OAHLLOKOSA-N 335.385 1.787 0 40 EDAB O=C(OCC(=O)N1CCNC1=O)c1cc(F)ccc1Br 7867679 YKVOSULMIQJJRZ-UHFFFAOYSA-N 345.124 1.297 0 40 EDAB Cn1cccc1C(=O)NC1CCN(CCC(=O)NC(C)(C)C)CC1 69704087 AVPWXIXTTBDOLW-UHFFFAOYSA-N 334.464 1.524 0 40 EDAB Cc1cnn([C@@H](C)[C@H](C)NCCNS(=O)(=O)c2ccccc2)c1 69706157 RWPWIKQIMBJSTR-GJZGRUSLSA-N 336.461 1.709 0 40 EDAB CC[C@H](C)[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)C(=O)OC 69778589 SSNBODCZMCCXQN-ZBEGNZNMSA-N 331.372 1.100 0 40 EDAB CN(CC(=O)NC[C@@H](O)c1cccc(F)c1)C(=O)OC(C)(C)C 69779627 YADJBUKAGXBTKG-CYBMUJFWSA-N 326.368 1.842 0 40 EDAB O=C(CCN1CCC[C@@H](N2CCNC2=O)C1)Nc1cccc(F)c1 69776213 WDKVAXSQNLOACQ-OAHLLOKOSA-N 334.395 1.644 0 40 EDAB O=C1CN(C(=O)c2csc(COc3ccc(F)cc3)n2)CCN1 29558680 XNPHMUHSFMRFHN-UHFFFAOYSA-N 335.360 1.433 0 40 EDAB COC(=O)CNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 60099362 PFTSLSVSQCPWEF-AWEZNQCLSA-N 340.788 1.558 0 40 EDAB Cc1nc(CCNC(=O)c2cccc(CS(C)(=O)=O)c2)cs1 29614440 URNVDPMPCQAXJK-UHFFFAOYSA-N 338.454 1.969 0 40 EDAB CCN(CC)C(=O)[C@H](C)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2 89967571 OUYPIYCQMMFSSV-QWRGUYRKSA-N 347.385 1.749 0 40 EDAB CC(C)C[C@H](NC(=O)[C@@H](NCCO)C(C)C)C(=O)Nc1ccccc1 2561151 HZJRNDZHXMTSIQ-IRXDYDNUSA-N 349.475 1.763 0 40 EDAB CCCn1nc(C(=O)OCc2ccc(C(=O)OC)cc2)ccc1=O 32708098 XBECADOIDPFMMW-UHFFFAOYSA-N 330.340 1.797 0 40 EDAB CN(C)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 4851315 ACYGGEFPBQWXTP-UHFFFAOYSA-N 341.367 1.736 0 40 EDAB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 6612846 DSROVTISCDSDPJ-NSHDSACASA-N 346.387 1.070 0 40 EDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)c1 32836786 JELUKHMEECCRJF-OAHLLOKOSA-N 345.399 1.976 0 40 EDAB C[C@H]1CN([C@H](C)CNS(=O)(=O)N2CCC[C@@H](C)C2)C[C@@H](C)O1 32825758 RZCVTPDDBAYFQV-TUVASFSCSA-N 333.498 1.050 0 40 EDAB CC(C)OCCN1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 52710057 UEBSLDFHLJHSHV-IAGOWNOFSA-N 325.497 1.534 0 40 EDAB CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NC(C)C)nn1 8297986 YVYVSWNXKRHBEX-UAGQMJEPSA-N 333.480 1.856 0 40 EDAB biogenic,in-vitro Cc1nn(C)c(C)c1CCC(=O)NCc1ccc(-n2ccnc2)nc1 33043829 ZOCGAQLOQJDJLS-UHFFFAOYSA-N 338.415 1.867 0 40 EDAB Cc1nn(C)cc1CN1CC[C@@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 108535249 HFKZHFWQGVZPIZ-HOTGVXAUSA-N 344.415 1.437 0 40 EDAB O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 104850950 GQNPGRIHXHALTO-RCZQDCHWSA-N 345.351 1.027 0 40 EDAB O=C(NC[C@@H]1CCCO1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 42565212 OBVNMWOGDPSTOB-AWEZNQCLSA-N 333.363 1.599 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NCc2ccnc(N3CCCC3)c2)C1 42636266 IAZOFKPNHCAHRN-CQSZACIVSA-N 331.420 1.089 0 40 EDAB c1cncc(CO[C@H]2[C@H]3CC[C@H]2N(CCN2CCCC2)CCO3)c1 107775630 HSGDAAAGPQASPV-GUDVDZBRSA-N 331.460 1.926 0 40 EDAB O=C(NCCNc1ncccn1)N[C@H]1CCN(Cc2ccccc2)C1 43239110 KRKIAYYNWJDNMZ-INIZCTEOSA-N 340.431 1.462 0 40 EDAB C[C@H](NC(=O)N[C@@H](C(N)=O)c1ccccc1)C(=O)N1CCCC[C@@H]1C 106770204 YDFNRIWLLDMEAM-KCQAQPDRSA-N 346.431 1.302 0 40 EDAB CN(CC(=O)N1CCC[C@H]1c1ccccn1)c1ncnc2[nH]cnc12 56276140 VUVCAABXEQNQRF-ZDUSSCGKSA-N 337.387 1.548 0 40 EDAB C[C@@H](NC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1)c1ccccc1 35360319 LQDOWKCHJLKZFM-KDOFPFPSSA-N 337.423 1.695 0 40 EDAB O=C1C(=O)N(C2CCCCC2)C(=O)N1Cc1nc(-c2ccco2)no1 44148199 DAJRTYKOHOKPCR-UHFFFAOYSA-N 344.327 1.953 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)cc1C(N)=O 26760107 RKOGZIZBCQBBQU-OAHLLOKOSA-N 346.408 1.896 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@@H]2Cc3ccccc3O2)c1Cl 26865237 PUOFAKXLFIKAED-JTQLQIEISA-N 327.793 1.356 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cc(C4CC4)on3)CCO2)n1 76045838 WQSDCYSJNMXKGI-ZDUSSCGKSA-N 331.376 1.836 0 40 EDAB C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@H]1N1CCOCC1 76053701 RYLGZCPWUKRWNA-WMLDXEAASA-N 330.428 1.343 0 40 EDAB Cc1cc(C)n(CCCNC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 27507914 PKYZEABDNKDACT-UHFFFAOYSA-N 349.456 1.865 0 40 EDAB Cn1ccc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)cc1=O 77557702 KZANGOYDDRBBFY-UHFFFAOYSA-N 325.290 1.887 0 40 EDAB COc1ccc(CNC(=O)N2CCN(CC(F)F)CC2)c(OC)c1 58224948 MGAXOXQDZDNCCI-UHFFFAOYSA-N 343.374 1.796 0 40 EDAB CCc1noc([C@@H](C)N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1 58265812 OMZYUPZFHONJQN-GFCCVEGCSA-N 348.407 1.246 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCCc2ccccc2)CC1 58282654 MMMNGLMLYUQDRD-GOSISDBHSA-N 343.471 1.950 0 40 EDAB Cc1noc([C@H](C)NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)n1 58246311 DCVGMZGEDRBVSM-WDEREUQCSA-N 344.371 1.759 0 40 EDAB Cc1cccc2nc(COc3c(CO)cc(F)cc3CO)cc(=O)n12 44908171 WSEBFBJUHBUFFR-UHFFFAOYSA-N 344.342 1.706 0 40 EDAB COc1cc([C@@H]2NC(=O)c3ccccc3N2CC(N)=O)ccc1O 12648022 WQQUHPWGPOGVQU-MRXNPFEDSA-N 327.340 1.135 0 40 EDAB Cn1cnc(S(=O)(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1Cl 36398069 RBSIHUGVSMOMSZ-SNVBAGLBSA-N 345.812 1.250 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)cc1OC 28326093 XWKHTEZRSWKQIB-NWDGAFQWSA-N 329.418 1.858 0 40 EDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 62119907 DTHQVZJGZFVSRT-MRVPVSSYSA-N 334.191 1.544 0 40 EDAB Cc1nnnn1-c1cccc(NC(=O)NCCCOCC2CC2)c1 45689036 VXPGHVMMODRQRK-UHFFFAOYSA-N 330.392 1.909 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)N(Cc2ccco2)C2CC2)CC1 29012482 ZJPCWQPHYIIBNG-UHFFFAOYSA-N 326.418 1.442 0 40 EDAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCCC2)cc1 3456317 PUJONABWJVGTBN-UHFFFAOYSA-N 336.335 1.763 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(OC[C@H]2CCCO2)c1 12910897 DGGANGNSBRTZNX-DZGCQCFKSA-N 339.413 1.161 0 40 EDAB Cc1cc([C@](C)(O)CNC(=O)[C@@H]2CCCN2c2ncccn2)c(C)o1 81818856 WBYGAFCPEOEJRW-MAUKXSAKSA-N 344.415 1.679 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3600961 UKBZVRCIHDWSMC-SFHVURJKSA-N 329.400 1.542 0 40 EDAB CC(C)[C@H]1C(=O)NCCN1C(=O)CCCc1nc(C(C)(C)C)no1 69349171 TYJPMCRJCVVDTE-AWEZNQCLSA-N 336.436 1.673 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC[S@@](=O)c3ccccc3)CC2)n1 69393436 NZLVXJNGADLWFA-BSEYFRJRSA-N 348.472 1.864 0 40 EDAB CCS(=O)(=O)NC1CCN(C(=O)c2ccncc2Cl)CC1 91455523 NMKXYVNLORSVNC-UHFFFAOYSA-N 331.825 1.279 0 40 EDAB Cc1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)cc1OCC(F)F 69453503 ZQIAEZQZLDATMF-VIFPVBQESA-N 327.287 1.176 0 40 EDAB CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1 5016300 FFDHICHPCNLYEJ-UHFFFAOYSA-N 347.444 1.737 0 40 EDAB Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1C[C@H](C)C[C@@H](C)C1 65490412 IBLGKTYNNUTXOP-VXGBXAGGSA-N 341.415 1.582 0 40 EDAB Cc1cc(CN2CCN(C[C@H](O)COc3ccc(F)cc3)CC2)no1 65552567 UIXGTOUFPHNEFM-KRWDZBQOSA-N 349.406 1.680 0 40 EDAB COc1cc(CNC(=O)[C@H]2CCC(=O)N2)ccc1OC[C@@H]1CCCO1 65590813 UIXHUYALXNXMEI-UONOGXRCSA-N 348.399 1.148 0 40 EDAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccc2c(c1)OCO2 5387863 KBTXOENQDZBCQE-UHFFFAOYSA-N 339.307 1.871 0 40 EDAB COc1ccc(NC(=O)NCCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 14138362 OLSMPVJKYNGATE-BETUJISGSA-N 335.404 1.843 0 40 EDAB CCOCCN1CCN([C@@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 69655594 OSPFMRYOPSJDER-ZDUSSCGKSA-N 340.493 1.741 0 40 EDAB CNC(=O)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 6531977 UJBPURKGWALKCN-UHFFFAOYSA-N 345.428 1.752 0 40 EDAB CNC(=O)c1cccc(NC(=O)COC(=O)c2ccc(OC)nc2)c1 8516336 RSPFZEKDDBPUOD-UHFFFAOYSA-N 343.339 1.245 0 40 EDAB COCCNC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 14366029 WFNIBUVYJBRXKT-UHFFFAOYSA-N 343.408 1.888 0 40 EDAB COc1ccccc1CCNC(=O)c1cccc(-n2nnnc2C)c1 71283300 VOZQCMOCHWWZIO-UHFFFAOYSA-N 337.383 1.952 0 40 EDAB C[C@@]1(C2CCN(C(=O)Nc3cccc(F)c3)CC2)NC(=O)NC1=O 80780811 QQCGVELBQDMLJT-INIZCTEOSA-N 334.351 1.668 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)[nH]n2)c1 7774477 ODRFATJKPGLJAF-UHFFFAOYSA-N 342.380 1.976 0 40 EDAB C[C@H](C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)c1ccccc1 96009654 WHNSXSGAKQMPRQ-ZDUSSCGKSA-N 348.424 1.635 0 40 EDAB CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1)C(=O)O 170575728 WQUXYCROJMQTIA-NWDGAFQWSA-N 334.372 1.336 0 40 EDAB COc1cccc(-n2ccnc2S[C@@H](C)C(=O)N2CCNC2=O)c1 9319257 WLIYDAYLSGGABM-NSHDSACASA-N 346.412 1.913 0 40 EDAB NS(=O)(=O)c1cc(C(=O)N2CCc3sccc3C2)cs1 71793367 WKZPRRZSBCQOCK-UHFFFAOYSA-N 328.440 1.656 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O 9587062 FTLUYKDGSMYQKZ-UHFFFAOYSA-N 344.371 1.082 0 40 EDAB Cc1c(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)nnn1-c1ccc(F)cc1 71829628 YEVCLXFBQBRZRJ-ZYHUDNBSSA-N 345.378 1.441 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 71886884 JPGBKVUDNZUNKZ-SJORKVTESA-N 333.476 1.559 0 40 EDAB Cc1cccc(Cn2cccc(C(=O)N3CC[C@H](C(N)=O)C3)c2=O)c1 71829413 FANIVROUSZPRCP-HNNXBMFYSA-N 339.395 1.152 0 40 EDAB O=C1COc2cc(C(=O)NCCCOC[C@@H]3CCOC3)ccc2N1 71920814 WVVCFAHRTBWXSA-LBPRGKRZSA-N 334.372 1.191 0 40 EDAB O=C(CCn1cc(Br)ccc1=O)Nc1nncs1 71903813 ARDCCNGUGOCZEQ-UHFFFAOYSA-N 329.179 1.491 0 40 EDAB CN(C)[C@@H](CNC(=O)CCn1ccccc1=O)c1c(F)cccc1F 71908870 LYHOYOJXGSBZGT-HNNXBMFYSA-N 349.381 1.936 0 40 EDAB CC(=O)N[C@@H](CC(=O)N1CCC[C@H](n2cncn2)C1)c1cccs1 72272238 JIIREQSCXPOJLN-KBPBESRZSA-N 347.444 1.771 0 40 EDAB C[C@H]1CN(CCNCc2cn(C)nc2-c2cccnc2)C[C@H](C)O1 97159991 QLKVNKIDFWUBLG-GJZGRUSLSA-N 329.448 1.681 0 40 EDAB C[C@H]1CN(CCNCc2cn(C)nc2-c2cccnc2)C[C@@H](C)O1 97159990 QLKVNKIDFWUBLG-GASCZTMLSA-N 329.448 1.681 0 40 EDAB Cc1cc(NC(=O)CN2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)on1 78879754 PUIXPGIJBJTTDC-NSHDSACASA-N 334.380 1.237 0 40 EDAB CC[C@@](C)(O)CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 72304459 MBPXWWHADHNGAD-OAHLLOKOSA-N 326.418 1.018 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c1 79110951 PFFUPTQHMLOBBD-ZDUSSCGKSA-N 345.486 1.890 0 40 EDAB O=C(NCCNC(=O)c1ccccc1)N[C@H]1c2ccccc2C[C@@H]1O 79130100 LXCMNTKYVDZGAZ-IRXDYDNUSA-N 339.395 1.374 0 40 EDAB NC(=O)[C@@H]1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)O1 95414188 BQSKMFIPCBPXSZ-PWSUYJOCSA-N 330.306 1.397 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cnn(C)c1 95415742 XEIZTFXIQSHPLN-CZUORRHYSA-N 347.463 1.962 0 40 EDAB CC1CCN(C[C@H](O)CNS(=O)(=O)Cc2ccccc2F)CC1 95433035 PFWNCYDNHRYJLV-OAHLLOKOSA-N 344.452 1.338 0 40 EDAB O=C(NCC(=O)N1CCC[C@H]2COCC[C@H]21)c1cc2ccccc2[nH]1 95410786 KTMCQMRMCWKJAD-WMLDXEAASA-N 341.411 1.925 0 40 EDAB Cc1occc1COC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 73535513 PPDDDKISYATOJG-HNNXBMFYSA-N 327.340 1.751 0 40 EDAB CS(=O)(=O)c1nccn1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 95974678 OBMIFGDRNKEEDZ-GFCCVEGCSA-N 348.346 1.909 0 40 EDAB Cc1nnnn1CC(=O)NCc1cccc(OCC(F)(F)F)c1 95965687 IYHVVOGGYQIIAO-UHFFFAOYSA-N 329.282 1.239 0 40 EDAB Cc1[nH]c(=O)sc1S(=O)(=O)NCCN[C@@H]1CCCC1(C)C 95943593 HSOCDNPSHDYOHQ-SNVBAGLBSA-N 333.479 1.191 0 40 EDAB CCCN(Cc1cnn(C)c1)S(=O)(=O)c1cn(C(C)C)cn1 95973682 WOPSYQKPJDDVSU-UHFFFAOYSA-N 325.438 1.798 0 40 EDAB Cc1ccc(C(=O)NCCCS(=O)(=O)c2ccccc2)c(=O)[nH]1 75124412 OIWRYXDODDRWPL-UHFFFAOYSA-N 334.397 1.277 0 40 EDAB Cc1cc(C)c(CNC(=O)c2cn(C)nc2-c2cccnc2)c(=O)[nH]1 75125372 RSVUCAWHBFMCMI-UHFFFAOYSA-N 337.383 1.717 0 40 EDAB CC(C)CCS(=O)(=O)CC(=O)N1CCn2c(nnc2C(C)C)C1 75129517 AMNSTHVFAGMSIG-UHFFFAOYSA-N 342.465 1.205 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c(=O)[nH]1 75119131 RSNZZSAMUPAWNI-ZDUSSCGKSA-N 332.381 1.332 0 40 EDAB CCOc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nn1 22997219 MUADBSICZDTERD-UHFFFAOYSA-N 342.399 1.846 0 40 EDAB C[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1nccc(N)n1 1556760536 UMHPHJVZIRMELY-GFCCVEGCSA-N 336.399 1.874 0 40 EDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCc1ccc2c(c1)CCC2 77345073 LLGKNVXFLHNZRK-CHWSQXEVSA-N 336.457 1.892 0 40 EDAB O=C(O)c1ccccc1CCNS(=O)(=O)C[C@@H]1CCCCO1 547592167 UQLTYCLETQIPOT-ZDUSSCGKSA-N 327.402 1.416 0 40 EDAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NS(=O)(=O)c2cnccn2)o1 152454831 OWIYMFMMCOOHBI-ZIAVJRNFSA-N 333.369 1.711 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C(C)C)C1 78602797 PLRUFGVTQYMFRC-OAHLLOKOSA-N 347.459 1.976 0 40 EDAB Cc1ccccc1CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 39767763 OZJMSZIIFMWYSQ-UHFFFAOYSA-N 343.471 1.931 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)C2(CN)CN)cc1 218047238 PDCYAMKYUIFTQG-IRXDYDNUSA-N 330.453 1.839 0 40 EDAB Cc1nc(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc2nncn12 560831744 XANHEHFGPMMVBG-WMLDXEAASA-N 327.363 1.737 0 40 EDAB COCCNc1cc([C@H]2CN(Cc3cnc[nH]3)CCO2)nc(C)n1 72387726 WDHRRUZWTJLHOX-OAHLLOKOSA-N 332.408 1.140 0 40 EDAB CCn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)cn1 72241665 IDAJQYTWLICSHX-JKSUJKDBSA-N 346.362 1.579 0 40 EDAB CN(C)c1ccc(C[C@H]2CCCN(C(=O)c3cnccn3)C2)nn1 72366103 IPRQUNPZLLWGCZ-CYBMUJFWSA-N 326.404 1.428 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](C)n2ccc(-c3ccccn3)n2)CC1 329163317 GFZMAYVUCVDYSS-CYBMUJFWSA-N 327.388 1.197 0 40 EDAB CN(CC(=O)N(CC(F)F)c1cccc(Cl)c1)S(C)(=O)=O 84804641 WHZLEGJLJLHAFZ-UHFFFAOYSA-N 340.779 1.830 0 40 EDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCc1cccnc1 225880989 BSTCEBILUGGWHV-UHFFFAOYSA-N 340.430 1.172 0 40 EDAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1F 321891087 DIQCYYMEYWLWJU-UHFFFAOYSA-N 338.316 1.424 0 40 EDAB O=C(Cc1noc2ccccc12)N1CCN(CCn2ccnc2)CC1 75157999 MQMNBDAYCHKCLX-UHFFFAOYSA-N 339.399 1.411 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223357650 IMXNPNRGZRSVKP-ZIAGYGMSSA-N 346.383 1.202 0 40 EDAB Cc1cc(C(=O)NCCC(=O)N(C)C)c2c(C)nn(C(C)C)c2n1 223291785 QFFZQDOYJJSHLI-UHFFFAOYSA-N 331.420 1.837 0 40 EDAB CC(C)[C@H](C)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225233348 PMLVLZYRWPNMPZ-LBPRGKRZSA-N 330.425 1.748 0 40 EDAB Cc1ncsc1CN1C[C@@H]2CN(Cc3cnn(C)c3)CCO[C@@H]2C1 96108114 MNLLFLKLCCHIKG-JKSUJKDBSA-N 347.488 1.518 0 40 EDAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)NC[C@@H](O)c1ccco1 96436076 ANOOOECNKPVONS-OAHLLOKOSA-N 329.331 1.997 0 40 EDAB O=S(=O)(c1cccc2c1OCO2)N1CCNC[C@H]1c1ccncc1 576768702 YQEMOVWJCXYVNF-ZDUSSCGKSA-N 347.396 1.146 0 40 EDAB CC(C)CCN1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1 96251167 YTPUKRCZIDTEFY-VQIMIIECSA-N 345.491 1.882 0 40 EDAB Cc1ccc(N2CCO[C@H]3CN(C(=O)c4ccsc4)C[C@H]32)nn1 96054410 VTJAANNRXPOJHF-KGLIPLIRSA-N 330.413 1.576 0 40 EDAB O=C(c1ccnnc1)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CCO2)C1 96209779 IMLYSWDYYYGLNN-WMLDXEAASA-N 340.387 1.142 0 40 EDAB Cc1cc(CNC(=O)N2CC[C@@H](C(=O)O)C2)nc(N2CCCC2)n1 1594303900 FESXIYJYWVJDHV-GFCCVEGCSA-N 333.392 1.001 0 40 EDAB Cn1cc(CN2CCC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)cn1 96222588 JBCTUKLDMJBKBV-DOTOQJQBSA-N 329.404 1.413 0 40 EDAB CN(C)c1ncnc2c1CN(Cc1cc(=O)n3ccccc3n1)CC2 97202317 HHQQZMWHRWOFQE-UHFFFAOYSA-N 336.399 1.109 0 40 EDAB CS(=O)(=O)N[C@H]1COCCC12CCN(C(=O)C1=CCCC1)CC2 96215966 HVGVZOKFZKOMFL-AWEZNQCLSA-N 342.461 1.044 0 40 EDAB Cc1nc(C)n(C[C@@H]2CC[C@@]3(COCCN(C(=O)CC4CC4)C3)O2)n1 96063520 HNXBAQUJVUJYGK-FUHWJXTLSA-N 348.447 1.472 0 40 EDAB C[C@@H](c1ccsc1)N1CCN(C(=O)N[C@@H]2CCN(C)C2=O)CC1 97378467 VGUQGOQMUIVCTI-GXTWGEPZSA-N 336.461 1.367 0 40 EDAB CN(C)C(=O)COC[C@H]1CC2(CCN(Cc3ccco3)CC2)CO1 96206321 HZCRKGWNRPUQCT-MRXNPFEDSA-N 336.432 1.756 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)cn1 583616745 MGPWJRBRZKJHAN-RBSFLKMASA-N 327.450 1.514 0 40 EDAB O=C(NCC1CC1)[C@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1 96061188 SZYSRNWQBDFHJC-OAHLLOKOSA-N 332.400 1.960 0 40 EDAB CN1CCN([C@@H]2CCN(Cc3ccoc3)[C@H]2Cc2cnn(C)c2)CC1 96061727 KEJRSGXZCOHPHL-MOPGFXCFSA-N 343.475 1.446 0 40 EDAB CN(C)[C@@H]1CCN(C(=O)Cc2cccc(F)c2)[C@H]1Cc1cnn(C)c1 96200911 UEDXVLRVJYMKEI-MSOLQXFVSA-N 344.434 1.876 0 40 EDAB CC(C)CN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1cnnn1C 330148331 MDMRVAUFPBRPPV-CQSZACIVSA-N 349.460 1.934 0 40 EDAB COCC(=O)N[C@H]1COCCC12CCN(CCc1ccccc1)CC2 96218765 OLYQOGPBHHJZST-SFHVURJKSA-N 346.471 1.863 0 40 EDAB Cn1cc([C@@]2(C)CN(C(=O)[C@@H](C3CC3)N3CCCC3)CCO2)cn1 97376264 PURMMYBUVJJHTI-SJLPKXTDSA-N 332.448 1.369 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cn1ncc3ccccc3c1=O)C2 97198292 TVDXYGGNGAPCOW-CQSZACIVSA-N 337.383 1.033 0 40 EDAB O=c1ccc2c(n1CCn1cccn1)CC[C@H](NCc1ccoc1)C2 96189796 DIEVRCCRDNPLLJ-KRWDZBQOSA-N 338.411 1.985 0 40 EDAB COc1c(C(=O)NCc2cccnc2)nnn1Cc1ccc(C)cc1 96183367 BYZREUJPCWVDDT-UHFFFAOYSA-N 337.383 1.968 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(c2ccc(F)cn2)C1 257280706 OMACOURGCQCYCH-LLVKDONJSA-N 338.408 1.806 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc3c(nc2O)CCC3)n1 257298214 RKRBFGUCOBXEHP-CQSZACIVSA-N 328.372 1.521 0 40 EDAB CCc1cnc(N2C[C@H]3O[C@H](C[C@H]3C(=O)Nc3cccnc3)C2)nc1 253606627 ZTRIMSXXYXUUII-BZUAXINKSA-N 339.399 1.666 0 40 EDAB O=C(NC1CCOCC1)c1cccn(Cc2ccccc2F)c1=O 257313907 UUQBUQVMMKTYSV-UHFFFAOYSA-N 330.359 1.945 0 40 EDAB CC1(C)COC(=O)N1c1cccc([C@H]2CCCN2S(C)(=O)=O)n1 257323174 WJATVHGKBNDXCD-GFCCVEGCSA-N 339.417 1.913 0 40 EDAB CNc1cc([C@H]2CCCN2C(=O)c2cnn3cccnc23)nc(C)n1 257240099 HSBBVXZYTXPVFS-CQSZACIVSA-N 337.387 1.847 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2cccs2)CCN(C2CCOCC2)C1 257252036 JTHUNSFQDKVJSS-CQSZACIVSA-N 337.489 1.407 0 40 EDAB CCn1nccc1-c1cncc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257277661 NYWWKTLOVXIBID-GFCCVEGCSA-N 335.433 1.499 0 40 EDAB CNc1ccc(C[C@H]2CCCN(C(=O)c3cnc(C)nc3)C2)nn1 257271381 MYAYOANEXIBRKJ-CYBMUJFWSA-N 326.404 1.712 0 40 EDAB CN(C)c1nc([C@H]2CCCNC2)ccc1C(=O)NCc1ccccn1 257308313 TWHCTAJPZAUNKD-AWEZNQCLSA-N 339.443 1.940 0 40 EDAB CC(=O)NCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2NCCCCC[C@@H]21 257254013 KBFUTMCOCLHDCZ-LNLFQRSKSA-N 329.444 1.649 0 40 EDAB O=C(c1cc2ccccc2s1)N1CC[C@@](O)(CN2CCOCC2)C1 257344251 ZWHIDIPIAAEGEO-GOSISDBHSA-N 346.452 1.811 0 40 EDAB Cc1ncccc1O[C@H]1CCN(C(=O)CCn2ccnc2)CC[C@@H]1O 257252468 JUXHWWZMIPXZEL-RDJZCZTQSA-N 344.415 1.408 0 40 EDAB CCOC[C@@H]1CN(c2ccncc2C(N)=O)C[C@H]1c1cnn(C)c1 585655501 UQJLOHRGXBQJAJ-ZFWWWQNUSA-N 329.404 1.171 0 40 EDAB C[C@H]1CCCN(C[C@H](C)NS(=O)(=O)c2cnn(CC3CC3)c2)C1 252584640 BWTPQXWCOYJDOJ-KBPBESRZSA-N 340.493 1.692 0 40 EDAB CCc1nnsc1C(=O)N1CCOC[C@H]1CCc1nccnc1C 257335161 YIXVOXLBKDXEMK-GFCCVEGCSA-N 347.444 1.673 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)COc2ccc(F)cc2)CCO1 257209722 BRQLAWBRLOHVNE-ZDUSSCGKSA-N 332.335 1.177 0 40 EDAB O=C(Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O)NC1CCCC1 85558638 BUSFFAHKUYPIIE-UHFFFAOYSA-N 347.802 1.711 0 40 EDAB O=C(NCc1cc2n(n1)CCCO2)[C@H]1CCN(c2ccccc2)C1 566465364 UQZUVLGXFVVUBD-AWEZNQCLSA-N 326.400 1.808 0 40 EDAB CO[C@H]1C[C@H](Nc2ncccc2S(=O)(=O)NC(C)C)C1(C)C 571838977 CCPCDOXSDKHAAX-STQMWFEESA-N 327.450 1.994 0 40 EDAB Cc1cc(F)c(C(=O)O)c(NS(=O)(=O)N2C[C@H]3CC[C@H]2C3)c1 663267669 VFILGEKPKAKCMD-UWVGGRQHSA-N 328.365 1.973 0 40 EDAB COc1cccc(C[C@@H](C(=O)NC[C@H]2CCCO2)n2nnnc2C)c1 44948779 DQYGBGQOLRHHOT-CVEARBPZSA-N 345.403 1.069 0 40 EDAB CS(=O)(=O)Cc1ccccc1NCc1nnnn1-c1ccccc1 58179177 ZZTYPJKYXLYSJA-UHFFFAOYSA-N 343.412 1.819 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)[C@H]1CSCN1C(=O)C1CCC1 69394239 ARXQNZFJUGMPFB-UKRRQHHQSA-N 348.472 1.615 0 40 EDAB CC(C)c1noc([C@H](C)N2CCN(CCCN3CCCC3=O)CC2)n1 69385245 AUTSRJWXYFXQEI-HNNXBMFYSA-N 349.479 1.884 0 40 EDAB CCN(CC(=O)NC[C@@H]1CCCO1)Cc1cccc2c1OCCO2 69563795 RPHFNFHBJNKEOH-HNNXBMFYSA-N 334.416 1.575 0 40 EDAB CN(CCNC(=O)NCc1cccnc1-n1cccn1)C1CCCC1 69562023 XLALFXITUIUXDD-UHFFFAOYSA-N 342.447 1.941 0 40 EDAB CCN1CCC[C@@H](CNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)C1 69809007 OPROWNOWVUODDY-KBPBESRZSA-N 341.521 1.782 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O 71890954 AVSJSGHDRPZSJG-XIRDDKMYSA-N 346.427 1.834 0 40 EDAB CC(C)C[C@@H](C)N(C)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 71920332 STPJBWJVIDTWKU-CABCVRRESA-N 326.485 1.650 0 40 EDAB Cc1noc(CCCNC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)n1 95977473 FALJCUKYZUMIRK-JTQLQIEISA-N 349.357 1.589 0 40 EDAB O=C(COc1cccc(F)c1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1614646992 KJRUDJCEGPALHU-INIZCTEOSA-N 341.404 1.632 0 40 EDAB CN1C[C@@H](C(=O)NCc2cnn(C)c2)[C@@H]2COc3ccccc3[C@@H]21 1772595845 OCBRHYXTDIDZMD-VYDXJSESSA-N 326.400 1.348 0 40 EDAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)C23CCN(CC2)CC(=O)N13 12113110 ZQWCAUFEGODXDF-CQSZACIVSA-N 325.368 1.311 0 40 EDAB Nc1cc(-c2ccco2)nn(CC(=O)NCCc2ccccc2)c1=O 12146644 HDRZDEVFLIQPSU-UHFFFAOYSA-N 338.367 1.444 0 40 EDAB CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)N(C)C 12423099 AIBABUWEGMIHEC-UHFFFAOYSA-N 338.429 1.548 0 40 EDAB CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1ccccn1 12667640 QTVVUMHNKKEIIW-AWEZNQCLSA-N 344.440 1.944 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1 18172476 XHRFSBYCFMGLCF-UHFFFAOYSA-N 349.368 1.749 0 40 EDAB Cn1cnc(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)c1 643914606 RVMGUSRDLXKARH-KRWDZBQOSA-N 335.379 1.202 0 40 EDAB C[C@H](Cn1nnc2ccccc21)NC(=O)CN1Cc2ccccc2C1=O 12145046 YJEFFFBTOVYZKW-CYBMUJFWSA-N 349.394 1.592 0 40 EDAB O=C([C@H]1CN(c2ncnc3ccc(F)cc23)CCO1)N1CCCC1 1889130548 FLJCUCDXJKQXBJ-OAHLLOKOSA-N 330.363 1.597 0 40 EDAB CCCCc1noc(CN2C[C@H](C(=O)NC)Oc3ccccc32)n1 29403021 ASGATNMSEPTALC-CQSZACIVSA-N 330.388 1.926 0 40 EDAB COc1ccc(CC(=O)N[C@H](Cn2nccn2)C(C)C)cc1OC 238811990 ANJHYBXBWMPUKJ-CQSZACIVSA-N 332.404 1.679 0 40 EDAB COCCC(=O)N1CCC2(CC1)CC(=O)NCc1ccccc1N2 2037978468 XRIXLUZIZZOGQD-UHFFFAOYSA-N 331.416 1.516 0 40 EDAB COCCCN1CC[C@@H]2CN(C(=O)c3cnc(OC)cn3)C[C@@H]2CC1 2056224176 KUXQOBLGLZEBIK-GASCZTMLSA-N 348.447 1.306 0 40 EDAB O=C(CCc1cncnc1)N1C[C@H]2C(=O)N(CC3CC3)CC[C@H]2C1 1565542503 IXQTUOCVZLUCJF-JKSUJKDBSA-N 328.416 1.126 0 40 EDAB O=C(Cn1cnc2c3c(sc2c1=O)CCCC3)N1CCOCC1 12390059 UPCYSOXGOOMIGI-UHFFFAOYSA-N 333.413 1.196 0 40 EDAB CNC(=O)CN1CCC(NCc2cc3c(cc2OC)C[C@H](C)O3)CC1 30905733 CQQCNDYRPVSYSG-ZDUSSCGKSA-N 347.459 1.319 0 40 EDAB C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(S(C)(=O)=O)CC2)o1 40475545 IRGQYLFHUZUANC-GXTWGEPZSA-N 340.445 1.439 0 40 EDAB C[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)n1cncn1 40498650 PMCXJJNTHNQQJM-HOCLYGCPSA-N 329.404 1.029 0 40 EDAB 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1.637 0 40 EDAB COC(=O)c1cc(NC(=O)CN2CSCC2=O)c(F)cc1F 22889564 PLQVJDGQGHMFOX-UHFFFAOYSA-N 330.312 1.223 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(Cc3nnc(C4CCC4)o3)C2)n[nH]1 78900316 KYQBRAVRBVBNFQ-NSHDSACASA-N 330.392 1.539 0 40 EDAB Cc1[nH]c(C(=O)NCC(=O)NC(C)(C)C)c(C)c1C(=O)OC(C)C 9449971 KVVPHYFRCWHASD-UHFFFAOYSA-N 337.420 1.841 0 40 EDAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)NC[C@@H]1CN(C)CCN1C 78925626 MLAMTCXMYAWMHH-GDBMZVCRSA-N 332.448 1.282 0 40 EDAB O=C(NCC[C@H]1CCCO1)[C@@H](c1cccc(F)c1)N1CCOCC1 96426175 WFHFBUPZVUIHDO-IAGOWNOFSA-N 336.407 1.884 0 40 EDAB CCNC(=O)CN[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 96427597 UNWMOZARDKGTEI-SFHVURJKSA-N 346.452 1.905 0 40 EDAB CN1CC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1=O 71821303 DFXZMJGMBBBYIU-CYBMUJFWSA-N 335.835 1.857 0 40 EDAB CCOc1ccccc1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 71841981 MIVKOCFWLSHQLC-UHFFFAOYSA-N 345.399 1.343 0 40 EDAB O=C(c1ccnc(N2CCCC2)n1)N1CCC[C@H](c2ccn[nH]2)C1 72292315 IPRBNNWWDFCJLE-ZDUSSCGKSA-N 326.404 1.820 0 40 EDAB Cc1nsc(NC[C@@H](C(=O)N2CCOCC2)c2ccccc2)n1 84286902 GDMCDEATOGPELK-CQSZACIVSA-N 332.429 1.901 0 40 EDAB CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229560 VJVMQBXMGCSVFL-CYBMUJFWSA-N 326.418 1.293 0 40 EDAB CC(C)CCNC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 72326075 VCJSKJVKMOQYIT-INIZCTEOSA-N 343.427 1.800 0 40 EDAB biogenic O=C1[C@H]2CCCN2C(=O)N1Cc1ccnc(OC2CCOCC2)c1 97232368 YAXRVHYGIIYASV-CQSZACIVSA-N 331.372 1.566 0 40 EDAB CN(C)C(=O)CCC[S@@](=O)CC(=O)Nc1ccc(F)cc1F 95413724 AWXURNAISRTTSB-QFIPXVFZSA-N 332.372 1.520 0 40 EDAB C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1nc[nH]n1 95401884 IABUBHSRHGAXSV-MRVPVSSYSA-N 325.166 1.651 0 40 EDAB COc1cc(OC)cc(OC[C@@H](O)Cn2nnc3ccccc32)c1 27755879 UHTMBQFJHHAZMY-LBPRGKRZSA-N 329.356 1.888 0 40 EDAB CCOc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1OC 89267860 WNWVSDZKALYDGF-UONOGXRCSA-N 336.432 1.621 0 40 EDAB CN(C(=O)NC[C@H]1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 89335153 BJJBEPJOZNHYIK-CABCVRRESA-N 336.457 1.935 0 40 EDAB COCCN1CCC(CNC(=O)c2c[nH]c(=O)c(Cl)c2)CC1 89414347 WRUXZKXBFJFOOT-UHFFFAOYSA-N 327.812 1.117 0 40 EDAB O=C(CCS(=O)(=O)CCO)Nc1ccc(Br)cc1 75093362 JAGKBNALYFYETA-UHFFFAOYSA-N 336.207 1.185 0 40 EDAB CNC(=O)NCC(=O)NC[C@@H](C)Oc1ccccc1Br 89574174 UZBSKOUQWYIYBR-SECBINFHSA-N 344.209 1.262 0 40 EDAB Cc1cc([C@@](C)(O)CNS(=O)(=O)c2c[nH]c3ncccc23)c(C)o1 89580372 JROXXYGTBMZHTN-INIZCTEOSA-N 349.412 1.959 0 40 EDAB Cc1ccc(C(=O)N2CCC(N3C[C@H](C)O[C@H](C)C3)CC2)c(=O)[nH]1 75125630 DZSPBEKVJPDFFH-OKILXGFUSA-N 333.432 1.397 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c(=O)[nH]1 75120763 VISCGXDZTDEKDL-UHFFFAOYSA-N 339.395 1.736 0 40 EDAB CN1CCN(C2CCN(Cc3ccc4c(c3)OCCO4)CC2)C1=O 75131570 GRPNHEMGZXYTLH-UHFFFAOYSA-N 331.416 1.790 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC(C)C)cc1 408598226 YEIHIJYZDZUSNC-ZDUSSCGKSA-N 342.461 1.914 0 40 EDAB O=C(NCC[C@@H]1CCOC12CN(c1ncc(F)cn1)C2)N1CCCC1 306125995 DIOUFZVAKZSABH-CYBMUJFWSA-N 349.410 1.407 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)O)cc1C 548207189 LNMSBCSUXZUPIX-AWEZNQCLSA-N 348.424 1.920 0 40 EDAB Cc1ncc2c(n1)C1(CCN(Cc3ccco3)CC1)CN(C)C2=O 306139525 SZLVRUMNRQYSRA-UHFFFAOYSA-N 326.400 1.997 0 40 EDAB CCNC(=O)c1nnc2n1CCN(C(=O)C1CC1)[C@@H]2c1ccccc1 306143345 XZSMOZQHOPDLPM-CQSZACIVSA-N 339.399 1.369 0 40 EDAB Cc1nc(CCC(=O)NCC(=O)O)cc([C@@H]2CCCCN2C(C)C)n1 72366954 CQJWLKGCPAXIEN-INIZCTEOSA-N 348.447 1.854 0 40 EDAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](CO)[C@H]1c1ccc2c(c1)OCO2 218159881 PUJQSHGXDNSRJO-KBRIMQKVSA-N 332.377 1.964 0 40 EDAB CNc1ncc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 218762017 LGXGPDAATDLTGR-OAHLLOKOSA-N 325.372 1.785 0 40 EDAB O=C(NCc1ccco1)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 33941865 NZZVILINAXSSKX-UHFFFAOYSA-N 348.318 1.800 0 40 EDAB CN(C)CCNC(=O)C1CCN(C(=O)c2cc3ccccn3c2)CC1 73644287 JGRVJPBXZKNILR-UHFFFAOYSA-N 342.443 1.469 0 40 EDAB NC[C@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218574463 AMPDDUOBEOSGMI-PMPSAXMXSA-N 336.844 1.936 0 40 EDAB Cc1n[nH]c(C)c1C(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 225405956 ZDMDSSVTBQKBLG-GFCCVEGCSA-N 330.392 1.176 0 40 EDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)/C=C/c3ccco3)C2)nn1 225442964 UPTFLMZNBIRBQF-LHRNQBEKSA-N 328.372 1.829 0 40 EDAB O=S1(=O)N[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2Oc2ccccc21 514289978 QHMYHFQGOOJYKW-ZBFHGGJFSA-N 348.399 1.749 0 40 EDAB biogenic,in-vitro O=S(=O)(NCCCc1cnc2ncnn2c1)c1ccccc1F 225646038 AUCSKRDZFLALRN-UHFFFAOYSA-N 335.364 1.175 0 40 EDAB Cc1ccc(CS(=O)(=O)NC(=O)Cc2c(C)noc2C)c(F)c1 190865369 QFMUDHALYOAGHN-UHFFFAOYSA-N 340.376 1.928 0 40 EDAB CCn1cnnc1C1CCN(C(=O)c2cc(C(C)=O)cn2C)CC1 331978090 VTIAGFCZHPEOFP-UHFFFAOYSA-N 329.404 1.859 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC2)OCC(=O)N(CC2CC2)[C@@H]3C)no1 96201587 CBEBKYOAGREMTE-CYBMUJFWSA-N 347.415 1.615 0 40 EDAB CC(C)C(=O)N1CCN(C(=O)c2ccco2)C[C@@]2(CCCC(=O)N2)C1 96238358 WYSOKTVSVIEJDD-GOSISDBHSA-N 347.415 1.259 0 40 EDAB Cn1cc(CN[C@H]2CCc3c(ccc(=O)n3Cc3cccnc3)C2)cn1 96196587 QCSUOBPYHHOPEC-SFHVURJKSA-N 349.438 1.672 0 40 EDAB CNc1ncc(C(=O)NCc2ccccc2N2CCN(C)CC2)s1 95449402 XRHGZHWECSCBQT-UHFFFAOYSA-N 345.472 1.867 0 40 EDAB O=C(Cc1ccccn1)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 96158657 QTTLCARWADPHJG-KRWDZBQOSA-N 329.444 1.870 0 40 EDAB CCn1cc(N2C[C@@H](C(=O)NCCc3ccccc3)CC2=O)cn1 96101466 GSXWABQCOCIIRA-HNNXBMFYSA-N 326.400 1.615 0 40 EDAB CN1CCN(C[C@H]2CN(Cc3ccoc3)Cc3nccn3C2)CC1 96067016 ZIOJJTFHBWHAHQ-KRWDZBQOSA-N 329.448 1.356 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@@]2(CCN(Cc3ccco3)C2)C1 96202163 GDXVCHADKNXNHP-MRXNPFEDSA-N 340.445 1.296 0 40 EDAB Cn1cccc1C(=O)N[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12 96056334 BRZUUJOPMRQGKE-JFIYKMOQSA-N 340.427 1.582 0 40 EDAB Cc1cnc(C2CCN(C(=O)N[C@@H]3CC[S@@](=O)C3)CC2)s1 582055886 IMISIZFRKNMGHU-XUSGNXJCSA-N 327.475 1.862 0 40 EDAB Cn1cccc1C(=O)N1Cc2ncn(C)c2[C@@H](COCC2CC2)C1 96044917 VJWOXKVYNHQFLK-CQSZACIVSA-N 328.416 1.925 0 40 EDAB C[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1c(F)cccc1Cl 96452792 RVLZNZGJEFTGKY-SECBINFHSA-N 334.800 1.980 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)N2CCC[C@@H](OCC3CC3)C2)cc1 582298882 IFXFBQARCGGFQU-CQSZACIVSA-N 339.413 1.965 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@@]3(CCCN3S(C)(=O)=O)C2)cn1 96071509 ITMSUZFCEXBIAJ-MRXNPFEDSA-N 337.445 1.420 0 40 EDAB CN(C)C(=O)CO[C@@H]1CN(Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 96042375 GDAHTEIDXYZCAZ-NUJGCVRESA-N 336.407 1.662 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1C 96487173 BBVVFVIZVPUWLC-CJNGLKHVSA-N 341.411 1.861 0 40 EDAB Cc1ccc(CN2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)o1 97971536 MUSPRPASRLNXIJ-KURKYZTESA-N 348.443 1.863 0 40 EDAB CN(C)c1cc(C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)ccn1 96445386 LLAZKRXSPRDFON-NPMXOYFQSA-N 331.441 1.997 0 40 EDAB CN(C)C[C@@H]1CO[C@@H]2CN(C(=O)c3ccc4c(c3)OCCCO4)C[C@@H]21 248053261 XUONVGFBGOGWFO-IIDMSEBBSA-N 346.427 1.497 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2Cc2ccc(C(=O)O)cc2)n1 257272870 NEEGYGPVILLJHO-HNNXBMFYSA-N 329.356 1.762 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 257291831 QIUIVTBMNYVHJM-CYBMUJFWSA-N 347.444 1.775 0 40 EDAB COCc1c(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3C)[C@@H]2O)noc1C 257287351 PPNZEILNEMTVLS-IIAWOOMASA-N 348.403 1.519 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257316197 VEONSPBEZIAFAW-HNNXBMFYSA-N 339.399 1.975 0 40 EDAB CC(C)N1CCN(C(=O)CCCc2ccc(F)cc2)C[C@H]1C(N)=O 257317547 VKEZAIOWDSIEFQ-INIZCTEOSA-N 335.423 1.555 0 40 EDAB CCOC(=O)[C@H](Cc1ccncc1)NC(=O)CCc1ccncc1 584914870 CBRTVGXQFSPDAW-INIZCTEOSA-N 327.384 1.700 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)CCc2cnn(C)c2C)n1 257249528 JIUHBYRLSHCQLF-HNNXBMFYSA-N 345.403 1.065 0 40 EDAB O=C(C[C@@]1(O)CCCN(Cc2ccccc2)C1)NO[C@@H]1CCCCO1 585088645 SZXTWYATCFJVLL-MOPGFXCFSA-N 348.443 1.978 0 40 EDAB COc1cccc(CC(=O)N2CCOC[C@@H](Cc3ccncn3)C2)c1 257284068 PBCJAIVTHSJMBP-INIZCTEOSA-N 341.411 1.745 0 40 EDAB Cn1cncc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC(C)(C)C 585126957 MCPSNWGQIQYOKJ-AWEZNQCLSA-N 345.399 1.809 0 40 EDAB CCOc1ccc(CN2CCN(C(C)=O)C[C@@H](C(=O)N(C)C)C2)cc1 257277707 NZBRYLHQKPQEFG-KRWDZBQOSA-N 347.459 1.454 0 40 EDAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2nccn2C)nc1 257211217 BXYJKYKJUHSIIC-HNNXBMFYSA-N 327.388 1.429 0 40 EDAB CCc1cc(C(=O)N2CCC3(CC2)CN(C(C)=O)[C@@](C)(CO)C3)on1 257273235 NFUFWPIXFMKUFW-QGZVFWFLSA-N 349.431 1.463 0 40 EDAB O=S(=O)(N1CCCC1)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257274857 NMXBWOKNXIXYLX-VNQPRFMTSA-N 337.445 1.511 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CC[C@H]4OCC(=O)N(C)[C@H]4C3)cc2c1C 257240353 HTCJRRZEAKHCID-DLBZAZTESA-N 341.411 1.856 0 40 EDAB CC(C)C(=O)N[C@H]1CCN(CCOc2ccc(F)cc2)CC[C@@H]1O 257205933 BBCMJJYUKYVMJP-IRXDYDNUSA-N 338.423 1.802 0 40 EDAB Cc1nc(CC(=O)NCc2ccnc([C@H]3CCCOC3)n2)cs1 257220944 DMXGULVNBJEBAS-LBPRGKRZSA-N 332.429 1.994 0 40 EDAB CCCn1cc(-c2cncc([C@H]3CCCN(S(C)(=O)=O)C3)n2)cn1 257216525 CUWVJFLHEPHZIA-ZDUSSCGKSA-N 349.460 1.889 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2c(C)oc3c2CCCC3)C1 257299712 RREHKDVOIOAUMT-CYBMUJFWSA-N 333.432 1.217 0 40 EDAB CCn1nccc1-c1cc(C)nc([C@@H]2CCN(S(C)(=O)=O)C2)n1 257314334 UWNHOSRQEMRIGV-GFCCVEGCSA-N 335.433 1.417 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cc(O)nc(C)n3)C2)cc1 257226251 FJUYJWYVKDIBHR-OAHLLOKOSA-N 349.412 1.561 0 40 EDAB Cn1cnc(C(=O)N2CCOC[C@@H](Cc3ccc4[nH]ncc4c3)C2)c1 257273950 NIXHPKVBHYVOTH-AWEZNQCLSA-N 339.399 1.628 0 40 EDAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H](C)C(=O)O 263537747 ANSXSLRDHUQCJV-MRVPVSSYSA-N 332.278 1.946 0 40 EDAB Cc1cc(C2(C(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)CC2)on1 606446138 YSPVWTZGNSJRPV-AWEZNQCLSA-N 331.416 1.779 0 40 EDAB COC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccon1 1615548957 PSIPOFDZPZRZHV-HOTGVXAUSA-N 343.383 1.007 0 40 EDAB CO[C@]1(C(F)(F)F)CCN(C(=O)c2cnn3ccc(N)cc23)C1 1615547759 PZBIFLXTHUUPKH-CYBMUJFWSA-N 328.294 1.710 0 40 EDAB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O 100038554 CJDRUOGAGYHKKD-GBKQZNAUSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro CCOc1ncc(NC(=O)CNC(=O)c2ccccc2)c(OCC)n1 96098739 YHXLODSGSUUWBY-UHFFFAOYSA-N 344.371 1.643 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@@H](CNC(=O)c3ccncc3)CO2)C1 575405630 SSUCVEZXQKUJBV-YCPHGPKFSA-N 343.427 1.475 0 40 EDAB COc1ncccc1C(=O)N1CC(F)(F)C[C@@]2(CCNC2=O)C1 585093477 YVIVYPXADMDXMF-AWEZNQCLSA-N 325.315 1.078 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccccc1OC)[C@H]2C 585097018 GPBLRDOCFCAMTC-LBPRGKRZSA-N 346.387 1.415 0 40 EDAB CN(Cc1cccc(C(F)(F)F)c1Cl)[C@@H]1COC[C@@H](O)[C@H]1O 585290864 IHLWHLYTMKPUJI-WZRBSPASSA-N 339.741 1.911 0 40 EDAB CC(C)CN1CCN(C(=O)NC2CCC3(CC2)OCCO3)CC1 46073402 CXUYEKMSZIQSIW-UHFFFAOYSA-N 325.453 1.655 0 40 EDAB CCNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 52782308 BWDBSGFKWUMIMI-UHFFFAOYSA-N 325.796 1.593 0 40 EDAB Cc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1F 56037154 NMBYGACBSIDKRG-LBPRGKRZSA-N 347.433 1.474 0 40 EDAB CC(C)NC(=O)c1cccc(CNC(=O)N(C)Cc2cnn(C)c2)c1 67465925 GFGRDLRQURZZJB-UHFFFAOYSA-N 343.431 1.900 0 40 EDAB CC(=O)N1CCC(NC(=O)N2CCN(C)c3ccccc3C2)CC1 69631787 XMIABTCSPCCSKE-UHFFFAOYSA-N 330.432 1.659 0 40 EDAB CCN1CCN(C2CCN([C@H](C(N)=O)c3ccccc3)CC2)C1=O 69699251 PUOLPQHRKTZCCV-INIZCTEOSA-N 330.432 1.435 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCC(=O)Nc1cc(C)on1 69738452 LGCXSZXWAUFGBC-CABCVRRESA-N 334.420 1.787 0 40 EDAB COc1cccc(CC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 71826742 HKLFPPSJHMFZKI-HNNXBMFYSA-N 344.386 1.837 0 40 EDAB CCN(C)CCNC(=O)C(=O)Nc1cc(Br)ccc1F 72291071 ATDSSCFSSRIGOC-UHFFFAOYSA-N 346.200 1.595 0 40 EDAB CO[C@@](C)(C(=O)N1CCO[C@@H](c2nc(C)n[nH]2)C1)c1ccccc1 76045413 XRPIQOZXVSXNJQ-RHSMWYFYSA-N 330.388 1.575 0 40 EDAB C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)CNS(C)(=O)=O 97079930 GHLPFWJOKAZGNJ-SECBINFHSA-N 338.351 1.302 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1F)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 103198277 WKRNANRNTLQAMO-UBHSHLNASA-N 330.359 1.782 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@]2(CC(=O)O)CCOC2)c(C)c1 563952651 OXTAHGYFAVPYOQ-OAHLLOKOSA-N 343.401 1.306 0 40 EDAB O=C(NCCc1ccc(OCc2ccccc2)cc1)[C@@H]1CNCCO1 195543263 DBBXXNLIZZCNCI-IBGZPJMESA-N 340.423 1.913 0 40 EDAB CCC[C@H](C)C(=O)N1CC(n2nncc2I)C1 1616037861 MZDJGOGRHIXZAW-QMMMGPOBSA-N 348.188 1.702 0 40 EDAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2nccn2C)C3)C1 12087379 SVDZZQKWMNMZDV-CYBMUJFWSA-N 342.447 1.298 0 40 EDAB CCc1nn(CC(=O)N(CC)CC)c(=O)c2cc3oc(C)cc3n12 12115521 YXGJLZDPXVUUIG-UHFFFAOYSA-N 330.388 1.981 0 40 EDAB CN(Cc1ccc(OCC(=O)Nc2cccnc2)cc1)S(C)(=O)=O 14399881 RRJJEXHALGGJHM-UHFFFAOYSA-N 349.412 1.491 0 40 EDAB CCN1CCN([C@@H](CC(C)C)c2nnnn2C[C@@H]2CCCO2)CC1 19527894 TUEIZGZBLUQOPI-HOTGVXAUSA-N 336.484 1.577 0 40 EDAB CN(C)c1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)cn1 575603621 LLITXOGOANRKGD-KBPBESRZSA-N 337.445 1.337 0 40 EDAB Cc1cccc(OCc2nnc(S[C@H](C)C(=O)NC(N)=O)o2)c1 2649632 MSPULJJGSWYGIS-SECBINFHSA-N 336.373 1.633 0 40 EDAB CSc1nc(C)cc(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 1888900938 CXAUDDTWZOLIRW-UHFFFAOYSA-N 342.432 1.500 0 40 EDAB Cc1sc(-c2cccs2)nc1-c1c(N)n(C)c(=O)n(C)c1=O 14157808 UFFQYXWDYXOXNJ-UHFFFAOYSA-N 334.426 1.827 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(Cc2cccc(F)c2)n1 1848353785 HTRHLEYRPSDCFU-OAHLLOKOSA-N 348.399 1.728 0 40 EDAB Brc1cnc(N2CCCN([C@@H]3CCOC3)CC2)nc1 1776000502 LBBJJYLHDXIYQJ-GFCCVEGCSA-N 327.226 1.540 0 40 EDAB c1cc2c(N3CC[C@H](COc4ccc5nccn5n4)C3)ncnc2cn1 2087061352 QVDZPBPRQCMYLG-ZDUSSCGKSA-N 347.382 1.973 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCCN([C@@H]2CCOC2)CC1 1565522085 PWQAVQLQGOVCFN-RHSMWYFYSA-N 332.400 1.150 0 40 EDAB O=C1C[C@H](c2cccnc2)C2(CCN(C(=O)CC3(O)CCC3)CC2)N1 1565551914 XDZFMAHOJATSRU-OAHLLOKOSA-N 343.427 1.351 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3cc[nH]c3)CCO2)C1=O 1565551108 AORGKMGIEGODKV-LPHOPBHVSA-N 339.395 1.482 0 40 EDAB C[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O 10499511 COBUSTRHKLEMAA-IBGZPJMESA-N 348.362 1.662 0 40 EDAB O=C(NC1CCCC1)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713515 YWDGEXCDCFFGLP-ZDUSSCGKSA-N 330.432 1.740 0 40 EDAB CNC(=O)Cc1csc(NC(=O)c2cc(-c3ccco3)[nH]n2)n1 38488936 SWQGVTZHNNBISA-UHFFFAOYSA-N 331.357 1.667 0 40 EDAB O=C(NCCn1ccnc1-c1cnccn1)c1cnc2ccccc2n1 575610559 WAOKWMZZTANSRL-UHFFFAOYSA-N 345.366 1.713 0 40 EDAB COc1ccccc1CN1C=C(C(=O)NC2CC2)C(C)=NS1(=O)=O 888104773 MERRDOLCPKOPLC-UHFFFAOYSA-N 349.412 1.379 0 40 EDAB Cc1cc(C)cc(OCCN(C)CCN2C(=O)NC(C)(C)C2=O)c1 40060182 DVTZLFOSLSZBHW-UHFFFAOYSA-N 333.432 1.944 0 40 EDAB O=C(NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc[nH]c1=O 40108886 MUHZFSWSWKKVFI-OAHLLOKOSA-N 328.368 1.863 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CC(=O)N(C4CC4)C3)cn2)n1 31216341 VLALRDLIAYKANU-ZDUSSCGKSA-N 339.399 1.834 0 40 EDAB C[C@]1(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CCS(=O)(=O)C1 40466537 ZAFBZQKFQXGREX-OCCSQVGLSA-N 329.805 1.337 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)c2ccccc2Nc2ccccc2)CCO1 50856956 BGLCEDGVWVKIPH-INIZCTEOSA-N 325.368 1.757 0 40 EDAB Cc1cc2ncn(C[C@@H](O)CN3CCC(C(N)=O)CC3)c2cc1C 51090205 VKLPRASBFRYYLT-HNNXBMFYSA-N 330.432 1.211 0 40 EDAB c1cc2c(cc1CN1CCN(Cc3nnnn3C3CC3)CC1)CCO2 40555434 JELFSAIEZAKUGZ-UHFFFAOYSA-N 340.431 1.261 0 40 EDAB C[C@H]1CN([C@@H](C)CNC(=O)c2n[nH]c(=O)c3ccccc23)C[C@@H](C)O1 40512342 DWUVWVNBHNXRMS-RWMBFGLXSA-N 344.415 1.151 0 40 EDAB CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cn1 40508710 PKNFVSUNPZIFMG-SECBINFHSA-N 330.310 1.497 0 40 EDAB O=C(NCCC(=O)N1CCCC1)NCc1cccc(N2CC=CC2)c1 101384122 OWQWSYBAXQGWHH-UHFFFAOYSA-N 342.443 1.875 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@@H](c2ccccc2F)N1 11665683 HQAROHKMNRQBEB-MEBBXXQBSA-N 331.347 1.455 0 40 EDAB COc1cccc(-n2nnnc2SCC(=O)NC2CCCC2)c1 415252 VJTUGADPVMVQEB-UHFFFAOYSA-N 333.417 1.822 0 40 EDAB C[C@H](c1nc(-c2cccs2)no1)N1CCO[C@H](Cn2cncn2)C1 70016002 VQQOOHWJEOOPGX-NEPJUHHUSA-N 346.416 1.852 0 40 EDAB CN1CCC(N(C)CC(=O)Nc2ccccc2N2CCOCC2)CC1 2643585 QFRXJFWZZRUGHU-UHFFFAOYSA-N 346.475 1.488 0 40 EDAB CNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 975966 RZMOEWBMPVDSMS-UHFFFAOYSA-N 344.742 1.871 0 40 EDAB O=C(NCCN1CCCCCC1=O)c1cc(=O)c2ccccc2o1 32310761 AGGFTIOBCSEXAT-UHFFFAOYSA-N 328.368 1.925 0 40 EDAB CCOC(=O)[C@@H]1C(=O)N[C@@H]2CCC(=O)C[C@]12c1ccc2c(c1)OCO2 1708530 CGRUAOXPPAGOCD-RVKKMQEKSA-N 345.351 1.084 0 40 EDAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102077200 JFGHOLDGIPCTTE-GBALJZQLSA-N 336.391 1.987 0 40 EDAB COc1ccc(OCCNC(=O)c2cccc(-n3cnnn3)c2)cc1 32772428 LTECYHUSSZNVHR-UHFFFAOYSA-N 339.355 1.480 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccoc1C(=O)OC 32804038 HCQMNQQPWCESLD-OAHLLOKOSA-N 328.368 1.739 0 40 EDAB C[C@]1(c2ccc(NC(=O)/C=C/c3cccnc3)cc2)NC(=O)NC1=O 32932442 KKPFMZWNZGAFNA-CHHNCHTKSA-N 336.351 1.788 0 40 EDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccccc2C)C(=O)N1 10385070 WCJRKUSCLJHNDJ-STQMWFEESA-N 336.413 1.487 0 40 EDAB Cc1cc(NC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)no1 21835523 QOCYODBTTNQNKC-UHFFFAOYSA-N 349.435 1.535 0 40 EDAB CC(=O)Nc1nc(C(=O)NC[C@H](O)COc2ccccc2)cs1 41330966 QKFXZZFBULGIPQ-NSHDSACASA-N 335.385 1.271 0 40 EDAB C[C@@H](Sc1nncn1C)C(=O)N1CCN(Cc2ccccc2)CC1 22227872 QTRWXBIBTGOKOI-CQSZACIVSA-N 345.472 1.640 0 40 EDAB Cc1cc(NC(=O)[C@@H]2C(O)=CC(=O)N3CCc4ccccc4[C@H]23)[nH]n1 100918030 MZGJYRBEXBLFBW-IAGOWNOFSA-N 338.367 1.854 0 40 EDAB C[C@@H](Sc1nc(=O)c2c3c(sc2[nH]1)CN(C)CC3)C(=O)O 51330898 CIWJYCQXZIRPKN-ZCFIWIBFSA-N 325.415 1.538 0 40 EDAB CC(C)[C@H](NC(=O)CCn1cncn1)c1ccc2c(c1)OCCO2 54515979 RREIIVAVRIEBNN-KRWDZBQOSA-N 330.388 1.953 0 40 EDAB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)s2)cc1 24070931 PFYUQBUDOQXYQF-UHFFFAOYSA-N 346.455 1.765 0 40 EDAB COc1ccc(OC)c2c1CN(C(=O)Nc1nncs1)C[C@H]2O 43128462 HSXMVJZVMXTDQX-SECBINFHSA-N 336.373 1.636 0 40 EDAB C[C@H]1NC(=S)N(Cc2cccc(C(=O)NCc3ccco3)c2)C1=O 55179774 VQSYNOGJHHTUCF-LLVKDONJSA-N 343.408 1.815 0 40 EDAB COCCNC(=O)COc1ccccc1S(=O)(=O)C(F)(F)F 58367007 OGXPGDGGKNODGN-UHFFFAOYSA-N 341.307 1.122 0 40 EDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cccnc1N 24601464 ZYAQVHXERJWRLR-UHFFFAOYSA-N 329.312 1.246 0 40 EDAB Cc1cc(C)n2nc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)nc2n1 43271276 BPZZUFQKJIIFGQ-CYBMUJFWSA-N 341.375 1.369 0 40 EDAB Cn1cc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CC(F)(F)C3)C2)cn1 108532919 CEQCDZXFRURICY-HOCLYGCPSA-N 338.402 1.890 0 40 EDAB CCc1c(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)csc1C 102602259 UMYTWNNDLRIQMO-FDYHWXHSSA-N 334.397 1.426 0 40 EDAB CC[C@H](NC(=O)COC)c1ccccc1OCC(=O)N1CCCC1 55596862 CCHJYJHXCMLFQH-HNNXBMFYSA-N 334.416 1.902 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCN2C(=O)CCC2=O)[C@@H]1C 25124558 SNGOJSWZHCIMEL-JHJVBQTASA-N 338.404 1.010 0 40 EDAB CC(C)[C@H](CNS(=O)(=O)c1ccc(F)c(F)c1)N1CCOCC1 25373655 WOATVMUOTXCYKJ-HNNXBMFYSA-N 348.415 1.600 0 40 EDAB O=C(NCC1(c2ccccc2)CC1)N1CCC(N2CCNC2=O)CC1 56373005 XBWCOEYWFIDQTJ-UHFFFAOYSA-N 342.443 1.917 0 40 EDAB CN(CC(=O)N[C@H]1CCc2c(F)cccc21)c1ncnc2[nH]cnc12 56323182 IVGPCKNJKLECOL-ZDUSSCGKSA-N 340.362 1.732 0 40 EDAB Cn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccncc1 3288505 POWNEPLUXVPJPU-UHFFFAOYSA-N 348.432 1.594 0 40 EDAB COc1ccc(CNC(=O)CN2CCN(c3nccs3)CC2)cc1 35301177 VZRIDNBNLIWPRP-UHFFFAOYSA-N 346.456 1.590 0 40 EDAB CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1ccco1 57731627 WEVGDLNHCSNPLV-GFCCVEGCSA-N 327.344 1.231 0 40 EDAB O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CCCC[C@@H]1c1ccccc1 108483225 XFJMYXRVCOPXNS-ILXRZTDVSA-N 329.400 1.817 0 40 EDAB Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)CC[C@@H]2NC(=O)NC2=O)c1 27080756 NPQOEXNGZGAJCR-NEPJUHHUSA-N 347.371 1.162 0 40 EDAB C[C@H](NC(=O)[C@H]1COCCO1)c1ccc(NC(=O)NC2CC2)cc1 44627991 IFAUYYMARIVNLE-XHDPSFHLSA-N 333.388 1.563 0 40 EDAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCO2 12600689 BTWRRLLDBPGPFX-UHFFFAOYSA-N 325.276 1.826 0 40 EDAB NC(=O)NC[C@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 58171617 OYQRONQBSZAITK-CQSZACIVSA-N 329.404 1.541 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1cccnc1N1CCCC1 58169205 FWGGONLBPFGHSF-HUUCEWRRSA-N 345.447 1.667 0 40 EDAB O=C(NCc1ccccc1-n1cccn1)c1ccccc1-n1cnnn1 58290557 XXVCMCYCDYLXJJ-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB COc1ccc(Cl)cc1CS(=O)(=O)CCC(=O)NC1CC1 44938213 ZNJYWJIXRYADBJ-UHFFFAOYSA-N 331.821 1.932 0 40 EDAB CNC(=O)C1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 44918372 LSDOKCUGSKIJCZ-UHFFFAOYSA-N 343.387 1.049 0 40 EDAB CCCS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2F)C1 58377875 KHJYURZNLNYEHQ-LLVKDONJSA-N 329.397 1.761 0 40 EDAB O=C1CCCc2[nH]c(=O)c(C(=O)NCCSC(F)(F)F)cc21 58335787 KWZDWABPCBWIPA-UHFFFAOYSA-N 334.319 1.877 0 40 EDAB CCCn1nc(C(=O)NC[C@@H]2COc3ccccc3C2)ccc1=O 28071869 XBDFMNDLKCHLCO-CYBMUJFWSA-N 327.384 1.634 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)[C@@H](C)CO1 28057975 PLDPQJCXBUXLHL-RYUDHWBXSA-N 327.402 1.646 0 40 EDAB O=C(CNS(=O)(=O)/C=C/c1ccccc1)OCC(=O)c1ccc[nH]1 3366666 BUVSISGYNBVTHE-CSKARUKUSA-N 348.380 1.331 0 40 EDAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 45241842 HLAJIJWCYMXWHD-WDEREUQCSA-N 327.402 1.316 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)N1CCN(c2cnccn2)CC1 28407714 LOTIPMSOBLZQEN-OAHLLOKOSA-N 339.399 1.312 0 40 EDAB CS(=O)(=O)/N=C(\O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 48486760 ALBOZTZOLQJPPY-UHFFFAOYSA-N 341.339 1.903 0 40 EDAB Cc1nnc(CN2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)n1C 75605481 YMNUYLSJSMZRKT-MRXNPFEDSA-N 333.411 1.114 0 40 EDAB CC(C)c1nn(C)c(N(C)C)c1CNCc1nnc2ccccn12 69464328 CYGAQGOBZVLSHX-UHFFFAOYSA-N 327.436 1.942 0 40 EDAB O=C(Nc1nncs1)[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 69442592 VYJCHRBXRWRYNZ-VIFPVBQESA-N 329.389 1.665 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)CC[C@@H]3CCCO3)CC2)n1 69518251 JDEZEVOORHTUPN-AWEZNQCLSA-N 334.420 1.483 0 40 EDAB O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc2nncn2c1 49408412 NMPMFPOKRKIEEN-UHFFFAOYSA-N 332.341 1.301 0 40 EDAB CS(=O)(=O)c1ccccc1-n1cc(NC(=O)c2ccccn2)cn1 69656306 YWQOFWPSMFHHOV-UHFFFAOYSA-N 342.380 1.923 0 40 EDAB COC[C@H](C)NC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1 69600473 IDHWVROKCFTEJO-ZDUSSCGKSA-N 336.413 1.798 0 40 EDAB CN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(C[C@@H]1CCCO1)C2=O 4239895 VWAJTIYWVJIEIR-BBRMVZONSA-N 327.384 1.658 0 40 EDAB CC(C)(C)c1n[nH]c([C@@H]2CN(Cc3noc(C4CC4)n3)CCO2)n1 76049678 LTUZCQVFLVOMQR-NSHDSACASA-N 332.408 1.936 0 40 EDAB CCOc1ccc(OC[C@H](O)CN2CCC[C@@H]2Cn2cncn2)cc1 69843166 APSLCBGKBKCLKA-HZPDHXFCSA-N 346.431 1.581 0 40 EDAB CN1CCCN(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)CC1 65439502 UPFRPLNJQGUNGO-INIZCTEOSA-N 345.422 1.996 0 40 EDAB Cc1ccc(CNC(=O)N[C@H]2CCCc3c2cnn3CCO)cn1 65417442 XHCBXTMRWVZPSK-HNNXBMFYSA-N 329.404 1.456 0 40 EDAB CNC(=O)c1cc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)ccc1F 65531779 IDWSQQDLYGDFEX-UHFFFAOYSA-N 341.320 1.012 0 40 EDAB CCN(c1ccc(C(=O)NCCCN2CCOCC2)cn1)C(C)C 65550676 IHONFDKPSVYQCG-UHFFFAOYSA-N 334.464 1.768 0 40 EDAB C[C@H](NC(=O)CN(C)CC1CCN(CCO)CC1)c1cccs1 69927486 FWIBFPDLFNHNMI-AWEZNQCLSA-N 339.505 1.561 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 65609999 ITIPMMLICYIVRV-ZFWWWQNUSA-N 340.489 1.963 0 40 EDAB CCN1C(=O)C(=O)N(Cc2ccc(-n3nc(C)cc3C)cc2)C1=O 65626271 VNPRNLWCAPCZNK-UHFFFAOYSA-N 326.356 1.800 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)Sc2nc(N)cc(N)n2)cc1 6533277 BGHMCDLFABOJFR-VIFPVBQESA-N 333.417 1.447 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)c2ccc3ncsc3c2)n1 8704617 OJCGDNJKZXNHKQ-UHFFFAOYSA-N 330.373 1.487 0 40 EDAB CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC 4786292 INVVPAPCEZTNJY-UHFFFAOYSA-N 340.449 1.742 0 40 EDAB O=C(Cc1ccccc1F)N1CCN(c2ncnc3[nH]ncc23)CC1 66372521 JZUGPUQFSSWOLK-UHFFFAOYSA-N 340.362 1.383 0 40 EDAB CCC(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 4986346 PMXKLCCQDPNLAK-UHFFFAOYSA-N 348.808 1.482 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1CCSc1cccc[n+]1[O-] 7507329 QNIHSRYPFQPACS-UHFFFAOYSA-N 336.394 1.257 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)no1 7675951 SFIZULGMXFHFHG-UHFFFAOYSA-N 328.284 1.015 0 40 EDAB COc1cc(OC)cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 7758239 MZYHTFWVSPBKTI-UHFFFAOYSA-N 347.371 1.603 0 40 EDAB Cc1ccc(-c2nc3nc(O)cc(NC(=O)[C@@H]4CCCO4)n3n2)cc1 8969577 GUDMXKHMFJXLBB-LBPRGKRZSA-N 339.355 1.923 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1CCCCCC1 7955094 NGSUQRRWUDOJSA-NSHDSACASA-N 343.449 1.797 0 40 EDAB CCOC[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 81499071 HEYSPXCGBGSEBF-HUUCEWRRSA-N 335.452 1.457 0 40 EDAB COCCn1cc2c(n1)[C@@H](NC(=O)c1cccc(OC)n1)CCC2 96002929 XWMUYBDGTQOKFC-ZDUSSCGKSA-N 330.388 1.741 0 40 EDAB O=C([C@H]1CCCN(c2ncnc3[nH]cnc23)C1)N1CCCCCC1 9418724 BQLBVSCYVIRBTP-ZDUSSCGKSA-N 328.420 1.972 0 40 EDAB COc1cccc(C(=O)OCN2C(=O)c3ccccc3C2=O)c1O 9591380 CDEWAWFLUWRTPI-UHFFFAOYSA-N 327.292 1.811 0 40 EDAB NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 71897887 GZFKPRJRWUFAEV-DTWKUNHWSA-N 337.228 1.502 0 40 EDAB Cc1cc([C@H]2CCCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)C2)n[nH]1 84110118 XISRINGRZKYKTN-OLZOCXBDSA-N 327.450 1.636 0 40 EDAB CCCCc1nc(C)c(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)s1 72290642 SHBYJCYUOOIDAL-HNNXBMFYSA-N 336.417 1.218 0 40 EDAB O=C(NCc1nc(C2CC2)no1)C(=O)Nc1ccc(F)c(F)c1F 72291097 DDJZINJHFUVZFW-UHFFFAOYSA-N 340.261 1.619 0 40 EDAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCC[C@H](n2cncn2)C1 72272234 NVZINBWKUPRWRJ-GJZGRUSLSA-N 341.419 1.148 0 40 EDAB O=C(CCCn1c(=O)oc2ccccc21)N[C@H]1CCc2nccn2C1 97197483 SWGWHGFVYJBNIB-ZDUSSCGKSA-N 340.383 1.702 0 40 EDAB CCOc1ccccc1C(=O)N1CCN(C[C@H](O)C(F)(F)F)CC1 97141588 MCONLAQYJCEFAI-AWEZNQCLSA-N 346.349 1.766 0 40 EDAB CCc1ccc(OCC(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1 72310495 TXQXACZQODBDEF-MRXNPFEDSA-N 334.416 1.415 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCO[C@@H](C)C1 72304231 MWPAFCAAWUWMAQ-IRXDYDNUSA-N 346.475 1.627 0 40 EDAB C[C@@H](NC(=O)Cn1cccc(C(=O)N(C)[C@H](C)C2CC2)c1=O)C1CC1 95351244 BTWISZZWWGDWPR-CHWSQXEVSA-N 345.443 1.634 0 40 EDAB CC[C@@H]1CN(C(=O)CCCNc2ncccn2)C[C@H]1N1CCOCC1 84735789 JIIOLQPMPRMWMW-HZPDHXFCSA-N 347.463 1.238 0 40 EDAB Cc1cnc(CN2CCN([C@H](C)C(=O)N3CCCCCC3)CC2)o1 95404855 OUESMDMKFRGMHI-MRXNPFEDSA-N 334.464 1.892 0 40 EDAB Cn1ncc(N[C@H]2CCN(C(=O)c3ccccn3)C2)c(Cl)c1=O 95429730 ZJOVBJRATGOAMD-JTQLQIEISA-N 333.779 1.155 0 40 EDAB O=C1CC[C@]2(C(=O)NC[C@@H]3COCCO3)Sc3ccccc3N12 95953293 HKVXSJOSPUAVRV-BDJLRTHQSA-N 334.397 1.147 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)c3ccccc32)C1 95950675 MMVBAYMVVJIZMN-UKRRQHHQSA-N 329.400 1.264 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)NC[C@@H](O)COCC(C)C)cc12 89568227 MLPZCSYHTYFPQN-CYBMUJFWSA-N 335.408 1.432 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)Nc2ccc(C)nc2N(C)C)C1 89626823 NRAJCVRFLWNINO-LBPRGKRZSA-N 335.408 1.808 0 40 EDAB CCOc1cccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)c1 21596158 HOLHTLXEPWIJJP-UHFFFAOYSA-N 348.432 1.855 0 40 EDAB CS(=O)(=O)Nc1cc(C(=O)NC[C@H]2CCCO2)ccc1Cl 61341907 FDCPLZLGBYYREV-SNVBAGLBSA-N 332.809 1.620 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(N)=O)n1C 409164960 QFLSKVMZEBNJHE-ZDUSSCGKSA-N 347.444 1.520 0 40 EDAB O=C1NC(=O)[C@H](CC(=O)n2ncn(-c3ccccc3)c2=S)S1 32597872 XFSDQFDWKTXRTN-VIFPVBQESA-N 334.382 1.785 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(Cc2nncn2C2CCCCC2)CC1 75164079 IYYGPZDJPQKXSM-INIZCTEOSA-N 347.463 1.607 0 40 EDAB O=S(=O)(NCCN1CCN(c2ccccc2F)CC1)C1CC1 38590865 HYBVTXWNKCWVAH-UHFFFAOYSA-N 327.425 1.030 0 40 EDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccccc2)[C@H]1S(C)(=O)=O 218010457 BIHAXRFYSAOILU-CHWSQXEVSA-N 340.397 1.310 0 40 EDAB CS(=O)(=O)N1CCC(Cc2cnc(Br)cn2)CC1 72343955 LJGQYIPNOYKMEM-UHFFFAOYSA-N 334.239 1.453 0 40 EDAB O=C(NCCc1cccc(F)c1)[C@@H](c1ccccc1)n1cnnn1 71328858 LHLZIVWASUZZRS-MRXNPFEDSA-N 325.347 1.761 0 40 EDAB COc1ccc([C@@H]2C[C@H](C)N(Cc3nc(N)nc(N(C)C)n3)C2)cc1 76393353 FEVNFNJYQIPCRO-GXTWGEPZSA-N 342.447 1.906 0 40 EDAB O=C(NCC(=O)N1CCCC1)NCc1ccc(Br)cc1 78604740 IZBSUTJPVPRAMV-UHFFFAOYSA-N 340.221 1.871 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)N2CCOCC2)[C@H]1c1ccc(Cl)cc1 72241312 MMTLUNSZANOXHD-HUUCEWRRSA-N 338.791 1.097 0 40 EDAB COc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCc2ccccc21 75155753 IHUALNDNQYZPDP-LJQANCHMSA-N 340.379 1.584 0 40 EDAB CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)[C@H]1CCCN1 182513191 MFRBRZRTKUCDMR-MOPGFXCFSA-N 345.487 1.642 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)OC[C@@H]2CCCO2)C1 521394196 RDXQZCMOSHXOCZ-AGIUHOORSA-N 344.408 1.119 0 40 EDAB O=C(CN1CCSC1=O)NC1CCN(Cc2ccccc2)CC1 44869650 MFPRUDFVKBYDHY-UHFFFAOYSA-N 333.457 1.936 0 40 EDAB C[C@H](NC(=O)c1ccc(NC(=O)c2cn3c(n2)CCC3)cc1)C(=O)O 567970211 KNTKEOVRVPATBV-JTQLQIEISA-N 342.355 1.285 0 40 EDAB CC(C)[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 225208625 UWSQLGQWZQGOPK-GFCCVEGCSA-N 327.450 1.704 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C)cc2)s1 222923288 IQHNMBHLKSMHHL-UHFFFAOYSA-N 326.403 1.996 0 40 EDAB COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC2CCC(F)(F)CC2)[C@H]1O 514288814 FGHSXSGCTMRSBE-FXUDXRNXSA-N 348.434 1.393 0 40 EDAB biogenic,in-vitro COC(=O)[C@H](CO)NS(=O)(=O)c1cc(C(C)C)ccc1Cl 225449010 BWJMNNHLYMHGOE-NSHDSACASA-N 335.809 1.276 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccon2)cc1C(=O)O 225586914 KIPYTIMXEGJAHE-MRVPVSSYSA-N 326.330 1.421 0 40 EDAB Cc1noc(C)c1CCC(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1 225800864 NMZIXHUAZQKACX-UHFFFAOYSA-N 343.343 1.279 0 40 EDAB CS(=O)(=O)NCCOc1ccc(I)cc1 225755082 JHEUXUVDQDPBMV-UHFFFAOYSA-N 341.170 1.219 0 40 EDAB CC(C)CCC(=O)N1CC[C@@]2(COCc3cnc(N(C)C)nc32)C1 96244063 TVLGQGCBYZWYNI-SFHVURJKSA-N 332.448 1.979 0 40 EDAB CCC(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1 96269323 JLCFFGHUKIXKOV-LBPRGKRZSA-N 329.356 1.704 0 40 EDAB biogenic,in-vitro CCC(=O)N1CC[C@H]2C(=O)N(Cc3ccc(OC)cc3)CCO[C@H]2C1 96107167 KYYWETFASZHWGT-SJORKVTESA-N 346.427 1.681 0 40 EDAB Cc1cc(C(=O)N2C[C@@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)no1 96042437 VYEMEWBRLWHQNG-OAGGEKHMSA-N 329.356 1.829 0 40 EDAB COc1ccc(CCC(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 96414040 BWMOCEVCYDDWDY-LBPRGKRZSA-N 344.333 1.907 0 40 EDAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCCn1ccnc1 96436118 LPOSGVZMWCJGBH-QGZVFWFLSA-N 328.416 1.290 0 40 EDAB Cc1ccoc1C(=O)N1C[C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2C1 96246361 MPELAZKBGHLMPN-HUUCEWRRSA-N 341.367 1.235 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)S1 96443751 UDWIYUJIGIDPGK-NSHDSACASA-N 345.428 1.919 0 40 EDAB Cn1cccc(C(=O)N2CC[C@@H](S(=O)(=O)c3ccccc3)C2)c1=O 96365471 XDDCMBQHQSQNPG-CQSZACIVSA-N 346.408 1.074 0 40 EDAB COc1cc(N2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)ncn1 96041213 XWAPZGPCQXMUDX-BFHYXJOUSA-N 332.404 1.091 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CC(=O)Nc3cc(F)ccc31)C2 97199175 YUVFNNWVHFVZMP-GXTWGEPZSA-N 342.374 1.888 0 40 EDAB Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2cc[nH]n2)cs1 96245917 QNAILPHDKVHPJX-STQMWFEESA-N 331.401 1.190 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)NC[C@H]2CN(C)CCN2C)c1 96436501 OKFDIXIANJVOHF-HNNXBMFYSA-N 327.432 1.156 0 40 EDAB O=C(C1=COCCC1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 95446081 AJLQCOCEHKNDJF-UHFFFAOYSA-N 326.400 1.901 0 40 EDAB CC(=O)N1CCO[C@@H]2CN(C(=O)NCc3ccccc3)CC[C@@H]2C1 96249870 MXQMPTZXTTYATG-IAGOWNOFSA-N 331.416 1.465 0 40 EDAB O=C(c1ccoc1)N1CC[C@@H]2OCCN(CCN3CCCC3)[C@@H]2CC1 96249369 NARFXCAGVUEGMS-MSOLQXFVSA-N 347.459 1.681 0 40 EDAB COc1cccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)c1 96286882 DDRLJQNVIKWNOK-UHFFFAOYSA-N 336.413 1.795 0 40 EDAB O=C(c1cnccn1)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96222467 LENMKJGMVWUZSX-QAPCUYQASA-N 340.383 1.714 0 40 EDAB CC(C)N(C)[C@@H]1CN(C(=O)Cc2ccccn2)C[C@@H]2CCCO[C@@H]21 97953435 MVJYYGWRWILGNB-WDYCEAGBSA-N 331.460 1.970 0 40 EDAB Cn1ccnc1CN1CCC[C@]2(COCCN(c3ccccn3)C2)C1 96229053 QPBPDLDMCQELOL-IBGZPJMESA-N 341.459 1.934 0 40 EDAB CCn1cnnc1CNS(=O)(=O)C[C@@](C)(OC)c1ccccc1 583651334 JYQZCDZMBRXDPV-OAHLLOKOSA-N 338.433 1.279 0 40 EDAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2ncnc3ccc(F)cc23)C1 583617339 UYCCJQQUEHIQJA-BBRMVZONSA-N 344.390 1.985 0 40 EDAB COCC(=O)N1CC[C@@H]2O[C@@H](COCc3csc(C)n3)CC[C@@H]21 96186769 RVCDLAODBINJCA-ILXRZTDVSA-N 340.445 1.763 0 40 EDAB Cc1ccc(N2CCO[C@@H]3CN(Cc4ccccn4)CC[C@@H]3C2)nn1 96249791 IGXFPVCLFIAPIC-SJLPKXTDSA-N 339.443 1.907 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(c2cc(Cl)ncn2)CC1 96449125 IOLHUVGJKFXQRI-UHFFFAOYSA-N 335.795 1.626 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(Cc3cncnc3)CCO2)ccn1 257316078 VEADUDCQNPGTRJ-KRWDZBQOSA-N 327.432 1.771 0 40 EDAB Cn1ccnc1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 257241038 HWJDSUCILLQXSV-LBPRGKRZSA-N 335.433 1.091 0 40 EDAB Cc1cc(-c2cccc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)[nH]n1 257340437 ZGCPNJCWNNKVFG-UHFFFAOYSA-N 349.460 1.766 0 40 EDAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3C)C2=O)C1 250714147 ZSBQCLDGBGNXFW-ZBFHGGJFSA-N 344.411 1.902 0 40 EDAB CNc1cc(-n2nc(C)cc2NS(=O)(=O)CCC2CC2)ncn1 585129004 UFUQKUYWTHSAKE-UHFFFAOYSA-N 336.421 1.554 0 40 EDAB CNc1ncccc1CN1CCO[C@@H](CCc2ccnc(N)c2)C1 257287994 PSICQRGWQVOOTG-INIZCTEOSA-N 327.432 1.934 0 40 EDAB O=C(c1cncnc1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257303729 SILQQTDJYCIWHB-AWEZNQCLSA-N 337.383 1.456 0 40 EDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)c1ccc(-n2ccnc2)nc1 257323912 WMIWDWUZSPPMCJ-CQSZACIVSA-N 338.371 1.513 0 40 EDAB COc1ccccc1[C@@H]1NC(=O)N[C@@](O)(C(F)(F)F)[C@H]1C(C)=O 252444426 XWZFVHJXXQUTLY-GVXVVHGQSA-N 332.278 1.505 0 40 EDAB CNC(=O)CN(C)C(=O)c1ccccc1OCc1c(C)noc1C 42034200 JGXHUNJUJOHTDA-UHFFFAOYSA-N 331.372 1.688 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc(CC(C)C)nn2C)n1 257248687 JETQZIUXGHLLKD-OAHLLOKOSA-N 331.420 1.864 0 40 EDAB COc1ccc(CC(=O)N2CCO[C@@H](c3nc(C)cc(O)n3)C2)cc1 257317854 VLMDKGDBRYUTPQ-OAHLLOKOSA-N 343.383 1.642 0 40 EDAB Cc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 257241348 HXSWBGGTKMTNIH-IAGOWNOFSA-N 328.416 1.012 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 257276933 NVTLDMQHTGRNDP-CYBMUJFWSA-N 335.404 1.476 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)no1 257331028 XRBRLWBKOUHETP-VNHYZAJKSA-N 327.388 1.760 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@H]2CCNc1ccccn1 253493437 UCQSZEGDNOIYAP-CYBMUJFWSA-N 325.434 1.324 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC[C@H](C)C2)cc1 260808075 FECIHIAMGKVUCB-ZDUSSCGKSA-N 340.445 1.574 0 40 EDAB CO[C@]1(COc2ccccc2)CCN(C(=O)Cn2nc(C)nc2C)C1 585275841 HMQMZJKIZHLOMV-GOSISDBHSA-N 344.415 1.591 0 40 EDAB CC(C)CC(=O)N1Cc2cncn2[C@H](C(=O)NCc2cccnc2)C1 585096112 RYQIZVQEZMYJTR-INIZCTEOSA-N 341.415 1.524 0 40 EDAB O=C(COC1CCCCC1)N1CCC(C(=O)N2CCOCC2)CC1 44316407 IAPGXYGGTISZRV-UHFFFAOYSA-N 338.448 1.433 0 40 EDAB C[C@H](C(=O)NC(=O)NC1CC1)N1CCN(c2ccccc2F)CC1 57355217 LMURWSBBVAPOKC-GFCCVEGCSA-N 334.395 1.324 0 40 EDAB CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCCCCC1 65551778 PJPOQRMMIHQTQM-UHFFFAOYSA-N 332.447 1.118 0 40 EDAB CC(C)Sc1ccc([C@@H](C)NC(=O)C[C@H]2NC(=O)NC2=O)cc1 69772622 VWRITZLZJPPGJX-ZWNOBZJWSA-N 335.429 1.962 0 40 EDAB O=C1CCSC[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)N1 75171417 VJHJWHZMGUVKBD-AWEZNQCLSA-N 325.478 1.085 0 40 EDAB COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 172343630 ALWSKNYKOUDRNU-CQSZACIVSA-N 332.759 1.321 0 40 EDAB CCn1c(Cc2ccccc2)nnc1SCC(=O)NCCOC 5430204 YLQXTKWGIGPGGH-UHFFFAOYSA-N 334.445 1.744 0 40 EDAB Cc1cnc(-c2nc(O)c3c(n2)CN(C(=O)[C@H]2C[C@@H]2C)CC3)cn1 13227845 LTOGVIOADUZUJR-CABZTGNLSA-N 325.372 1.488 0 40 EDAB Cn1ccc(C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)n1 19290893 NQVHCFDXGLJSOW-UHFFFAOYSA-N 337.383 1.676 0 40 EDAB C[C@H](Cc1ccccn1)NC(=O)C1CCN(C2CCN(C)CC2)CC1 19457020 GITIQSKMMSYTGM-MRXNPFEDSA-N 344.503 1.935 0 40 EDAB Cc1cnc(C(=O)N2CCC[C@@H](c3cc(CN(C)C)n(C)n3)C2)cn1 19709041 NPKADJOCXQCEHB-CQSZACIVSA-N 342.447 1.600 0 40 EDAB Cc1c(C(=O)N2CCOCC2)nnc2c(-c3ccc(F)cc3)cnn12 19817161 QVUWSDQZVAGKSR-UHFFFAOYSA-N 341.346 1.711 0 40 EDAB Cc1ccc(N2C[C@H](NC(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1 4373133 FCVAMTPHDCVYNU-CQSZACIVSA-N 344.415 1.007 0 40 EDAB COc1cccc([C@@H](CC(=O)O)NC(=O)c2ccc(=O)n(C)c2)c1 531749019 GYVMUMPAJZQYKX-CQSZACIVSA-N 330.340 1.340 0 40 EDAB COCc1cn([C@H]2CCN(C(=O)[C@H]3CCc4ccccc4O3)C2)nn1 585149658 HHVCCAJKKSWJNU-DOTOQJQBSA-N 342.399 1.592 0 40 EDAB CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)n[nH]c1=O 6204965 FGGQWLZWUMXYKA-UHFFFAOYSA-N 335.385 1.728 0 40 EDAB Cn1ccc(CN2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)cc1=O 1888849567 YDDMAVXYUYYTSC-HZPDHXFCSA-N 337.379 1.007 0 40 EDAB Cc1cn2nc(N3CCN(Cc4nc(C(C)C)no4)CC3)ccc2n1 1888890513 VRBXSGWZFDZPFQ-UHFFFAOYSA-N 341.419 1.866 0 40 EDAB CN(C)c1cc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)ncn1 1889085904 NJXIRBCCMDNRAD-UHFFFAOYSA-N 341.463 1.957 0 40 EDAB Cn1cccc(C(=O)N2CCc3ncnc(-c4ccncc4)c3C2)c1=O 1565556320 CMMRPDGDAKRFKK-UHFFFAOYSA-N 347.378 1.436 0 40 EDAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)C(C)C)ccc21 12180503 PCSMGQRPNCJLBW-UHFFFAOYSA-N 346.474 1.939 0 40 EDAB Cc1cnc(C(=O)N[C@@H]2CCc3onc(C(=O)NC(C)C)c3C2)cn1 2055739448 YUWRSZHIHVUBQO-LLVKDONJSA-N 343.387 1.199 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)N1CC(n2cc(C3CC3)nn2)C1 585393884 LHGWOHRZVSSYMJ-UHFFFAOYSA-N 327.344 1.973 0 40 EDAB CCOc1ccc(OCCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 40161705 IQRPYEVWQMDUTG-SFHVURJKSA-N 348.443 1.787 0 40 EDAB Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1-n1cnnn1 40286327 AAKLELVNWJJQEK-UHFFFAOYSA-N 327.373 1.952 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)OCC(=O)NCCC2CCCCC2)c1C 50996675 BKRJTLVHFBVDJW-UHFFFAOYSA-N 349.431 1.641 0 40 EDAB Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cn1 40512488 MRQWXGMZACPMHS-JTQLQIEISA-N 328.328 1.140 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H](C)CO1 40501693 PLDPQJCXBUXLHL-VXGBXAGGSA-N 327.402 1.646 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(N2CCCC2=O)cc1 40549008 ZTFJIMLUXNXEHE-OCCSQVGLSA-N 329.400 1.539 0 40 EDAB O=C(CN1C(=O)COc2cc(Br)ccc21)NC1CC1 31813788 LERNLHOKBKVHDK-UHFFFAOYSA-N 325.162 1.453 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3c(=O)o2)cc1 204691 WJFBTBFHJZUNTF-UHFFFAOYSA-N 344.348 1.693 0 40 EDAB CCN1CCO[C@H](CNC[C@H](O)Cn2cnc3cc(C)c(C)cc32)C1 69703076 GNMIRJBAYMLUCC-DLBZAZTESA-N 346.475 1.324 0 40 EDAB Cc1ccccc1CCNC(=O)CN1CCC[C@H](Cn2cncn2)C1 69773592 PJNWLOOKGNYSCH-KRWDZBQOSA-N 341.459 1.657 0 40 EDAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 2556555 LDHNMIZCPRNASW-AAEUAGOBSA-N 336.388 1.712 0 40 EDAB Cc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1C 308942 JCKKKFWTNCXXHS-OAHLLOKOSA-N 340.445 1.365 0 40 EDAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c1C 4063319 QWOXRBMRTHAGTP-NSHDSACASA-N 347.367 1.940 0 40 EDAB biogenic Cc1ccc(CNC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 32754948 RLTORIIYDGTSMS-ROUUACIJSA-N 347.459 1.532 0 40 EDAB C[C@H](CNC(=O)COCc1nc2ccccc2s1)N1CCOCC1 29959439 WVTJITQQMMHKOI-CYBMUJFWSA-N 349.456 1.650 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 21732932 PCNJKHUIWGCMOP-INIZCTEOSA-N 347.396 1.467 0 40 EDAB Nc1c(NCc2nncn2-c2ccccc2)ncnc1-n1cccn1 91429901 JWSODPDWHFCEDT-UHFFFAOYSA-N 333.359 1.437 0 40 EDAB Cc1nc(-c2cc(C(=O)OCC(=O)N3CCNC3=O)n(C)c2)cs1 9752197 UPIHISDPOZDGRY-UHFFFAOYSA-N 348.384 1.166 0 40 EDAB Cn1ccnc1CN1CCC(C(=O)NCCN2CCCCC2)CC1 53212652 UKQFGKYVNFHHOA-UHFFFAOYSA-N 333.480 1.234 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1C(=O)O 100776048 VPVJMOXWDSXDAW-FCIDVOKBSA-N 342.351 1.354 0 40 EDAB CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@@H]12 107805932 NCCZXILZLMKZQH-AEFFLSMTSA-N 348.468 1.601 0 40 EDAB CCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 72148726 UKMGGZHJLJWBCX-AWEZNQCLSA-N 341.814 1.648 0 40 EDAB CCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1Cl 28208076 XJRDNWLZJFJOTR-UHFFFAOYSA-N 348.852 1.885 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)N1CCO[C@@H](c2ccccc2)C1 61721537 WFMDRRBPGPLDHM-GOSISDBHSA-N 349.390 1.997 0 40 EDAB CN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccco1 42476215 NHNRBAKBPBBJQW-GJZGRUSLSA-N 333.432 1.647 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)ccc1OC(C)C 42985878 YKVIAKNENSNPLN-ZDUSSCGKSA-N 340.445 1.668 0 40 EDAB NC(=O)C1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 24565453 OGCNKTHDRFBJPX-UHFFFAOYSA-N 331.294 1.360 0 40 EDAB O=C(NCCOc1ccccc1)N[C@H]1CCCN(c2ncccn2)C1 43159918 SQRPACIEPQGEJR-HNNXBMFYSA-N 341.415 1.824 0 40 EDAB Cc1nc2ccccc2n1CCCNC(=O)N[C@H]1CCCCNC1=O 43313217 ZFUMOTFWTKIQAI-HNNXBMFYSA-N 343.431 1.703 0 40 EDAB COC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 68968577 NADNSFMTOVNSAR-UWVGGRQHSA-N 334.825 1.158 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NC2CCN(c3ncccn3)CC2)C1 56058943 UWJYVYSMYZWBQZ-ZDUSSCGKSA-N 339.465 1.012 0 40 EDAB Cc1noc([C@H](C)NC(=O)Cc2nn(C)c(=O)c3ccccc23)n1 58115378 ICQVOICLEQTPBY-VIFPVBQESA-N 327.344 1.045 0 40 EDAB CCN(C)c1ccc(C(=O)NCCn2nc3ccccn3c2=O)cc1 58289208 SLQJHNVTPDHQBD-UHFFFAOYSA-N 339.399 1.382 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 44970314 LHTYARLFWNSRKX-KBPBESRZSA-N 329.404 1.969 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)COCC(F)(F)F)cn2)CCO1 48287167 SDEAULGJSPBJCI-NSHDSACASA-N 347.337 1.502 0 40 EDAB Cc1ccc(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cn1 48230714 MQBWJESFVKQDOH-CQSZACIVSA-N 334.397 1.813 0 40 EDAB O=C(OCc1nnnn1Cc1ccccc1)c1n[nH]c2ccccc12 11205284 KLGWQEFNZPXJKJ-UHFFFAOYSA-N 334.339 1.955 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCN(C(=O)Nc2cn[nH]c2)CC1 69457310 MYZFKJCORLOQFL-UHFFFAOYSA-N 331.351 1.468 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1CC(=O)N1CCCc2ccccc21 3417549 FMLMONYQTUTQRW-QGZVFWFLSA-N 345.424 1.393 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O 3487620 UFQTYSAAFXTGIP-LBPRGKRZSA-N 325.315 1.870 0 40 EDAB CCn1c(SCc2ccc(C(N)=O)cc2)nnc1N1CCOCC1 12916001 WVPHHSOKNRQTIY-UHFFFAOYSA-N 347.444 1.526 0 40 EDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCC1 13006248 UMNKOSRGPVBEHO-AWEZNQCLSA-N 335.429 1.372 0 40 EDAB CCOc1ccc(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1 8478218 VOZKXGBGYOTFQM-INIZCTEOSA-N 334.416 1.699 0 40 EDAB CC(C)[C@H](Oc1ccc(Br)cc1)C(=O)N(C)CC(N)=O 49248537 HIKQXBFXXJNLQU-ZDUSSCGKSA-N 343.221 1.796 0 40 EDAB COCC[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 69531586 ICDMNANURMQVKN-LLVKDONJSA-N 345.421 1.415 0 40 EDAB CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(CC(N)=O)cc1 69563762 AZEYXPDAKPHMKF-ZDUSSCGKSA-N 349.456 1.601 0 40 EDAB NC(=O)CC1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1 49389908 DFUIMICKBIXEOR-DUXPYHPUSA-N 330.384 1.585 0 40 EDAB Cn1cccc1C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 69537103 DVEXFZUIAHGKEI-HNNXBMFYSA-N 340.427 1.975 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccnn1C[C@H]1CCOC1 63827269 YTQDGTVCJMYRII-CQSZACIVSA-N 331.420 1.841 0 40 EDAB NC(=O)COC1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 69568262 SVCRQLMUYPRYJP-UHFFFAOYSA-N 332.400 1.582 0 40 EDAB Cc1nc2c(c(C)c1CC(=O)NCCc1ccccn1)c(=O)[nH]n2C 69570796 WVNZQJXITJUZDZ-UHFFFAOYSA-N 339.399 1.175 0 40 EDAB Cn1ncc2c1N=C(O)CS[C@@H]2c1ccc(OCC(N)=O)cc1 49550542 NEEJWTQPLCBEJZ-CQSZACIVSA-N 332.385 1.708 0 40 EDAB c1coc(-c2nnc(CSc3nnnn3C[C@H]3CCCO3)o2)c1 8547710 NBFFVGIYRXCKJH-SECBINFHSA-N 334.361 1.787 0 40 EDAB O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)Nc1cnsn1 13856269 HJHFTODQNSVNCW-UHFFFAOYSA-N 333.373 1.655 0 40 EDAB CN1CCCN(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)CC1 65429016 NNIRUXYLQXRKOP-MRXNPFEDSA-N 345.422 1.996 0 40 EDAB CCC(=O)N1CSC[C@@H]1C(=O)NCc1cnn(-c2ccccc2)c1 65474857 HBIKLHBJHHVEJK-OAHLLOKOSA-N 344.440 1.800 0 40 EDAB Cc1cccc(NC(=O)[C@@H](C)N2CCC(C(=O)NCCCO)CC2)c1 65431459 LBJIFTRNTVOFNP-OAHLLOKOSA-N 347.459 1.533 0 40 EDAB Cn1cc(CNCCNC(=O)Cc2ccccc2)c(-c2cccnc2)n1 69920836 VRSUYLYXAWSSSM-UHFFFAOYSA-N 349.438 1.931 0 40 EDAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1ccn(C)n1 14095972 CTIPQFVMKYJKAE-GQCTYLIASA-N 337.357 1.327 0 40 EDAB O=C(CN1CCCC1=O)N[C@@H](Cc1ccccc1)CN1CCCCC1 65551371 JGLQOZNQVMNFML-SFHVURJKSA-N 343.471 1.822 0 40 EDAB NC(=O)Cc1csc(NC(=O)CCn2c(=O)oc3ccccc32)n1 14120043 DOQCJSOQAHGNFG-UHFFFAOYSA-N 346.368 1.108 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N1CCn3c(C)nnc3C1)C2 71185518 FIRWJWHUELQGRK-ZDUSSCGKSA-N 328.372 1.189 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)NCCc1ccc(N(C)C)cc1 65614644 VMCOWLKJAITPSI-AWEZNQCLSA-N 334.464 1.899 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 65606789 RGEZGIDNVPBZLN-SFYZADRCSA-N 348.325 1.818 0 40 EDAB O=C(NC[C@H]1CCCO1)c1cccc(N2CCCCS2(=O)=O)c1 5439170 KXHMCJVEYAXDFI-OAHLLOKOSA-N 338.429 1.525 0 40 EDAB Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)C(C)(C)C)cc21 20178405 XHXJONJICLBBJT-UHFFFAOYSA-N 346.431 1.698 0 40 EDAB CCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCCOC)C3)cc1 8878038 YVBDADKKFAJVTE-INIZCTEOSA-N 345.399 1.572 0 40 EDAB COc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4942352 CHRPYWHMAGFTPE-PDSBVLEXSA-N 345.351 1.375 0 40 EDAB CCCn1c(N)c(NC[C@@H](c2ccccc2)N(C)C)c(=O)[nH]c1=O 7004352 SSITVUJZZMZJRI-ZDUSSCGKSA-N 331.420 1.244 0 40 EDAB COc1ccc(C[C@@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 90018332 DQLIIJKZTYQKBB-DYVFJYSZSA-N 328.416 1.755 0 40 EDAB CCCOc1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 7262536 GLHRBCXCYRBRHC-LBPRGKRZSA-N 327.402 1.158 0 40 EDAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 7474220 KBURPMPPEXOASV-QGZVFWFLSA-N 329.356 1.548 0 40 EDAB O=C(NCc1nnc2ccccn12)c1ccc(N2CCCC2=O)cc1 7898704 SSFKTUKHWIEXHJ-UHFFFAOYSA-N 335.367 1.786 0 40 EDAB CCn1nc(C(=O)NCCCOCC2CC2)c2ccccc2c1=O 9499075 GMJRACDQTBLLAO-UHFFFAOYSA-N 329.400 1.963 0 40 EDAB CC[C@H](CNC(=O)NCc1ncnn1C)N1CCc2ccccc2C1 96437760 CGMDYOWLKYJYOT-MRXNPFEDSA-N 342.447 1.451 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)n1 71876090 AWQFNEVHLBNHRB-AWEZNQCLSA-N 333.436 1.295 0 40 EDAB O=C(CCCn1cc(Br)cn1)N1CCCn2ncnc21 71839371 LHNVQCPCJYCQGN-UHFFFAOYSA-N 339.197 1.454 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cccn1)NCc1ccc2c(c1)OCO2 71875448 INIAQFUFYDBDER-OAHLLOKOSA-N 342.399 1.393 0 40 EDAB O=C(CCN1C(=O)COc2ccccc21)N1CCN2CCCC[C@@H]2C1 71839966 WWTZPEJFGPMLMK-OAHLLOKOSA-N 343.427 1.499 0 40 EDAB Cc1nnc(CNC(=O)Cc2ccc(OC(F)(F)F)cc2)n1C 71859418 VBDCFBAIGWLIAE-UHFFFAOYSA-N 328.294 1.881 0 40 EDAB Cc1ccc(N2CCC[C@@H](N(C)CC(=O)Nc3cc(C)on3)C2)nn1 71859801 WLGPBUOYHUVIMK-CQSZACIVSA-N 344.419 1.621 0 40 EDAB CC(C)S(=O)(=O)Cc1cccc(NCC(=O)N2CCOCC2)c1 71900485 MSRILHQCDBIPQQ-UHFFFAOYSA-N 340.445 1.281 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)n1 72299529 VNFLTVLPJBUCTN-HNNXBMFYSA-N 328.372 1.191 0 40 EDAB Cc1ccc(C(=O)NCc2c(C)nn(C)c2C)c(-n2cnnn2)c1C 72402161 SSZPFNFJCHSTIH-UHFFFAOYSA-N 339.403 1.559 0 40 EDAB O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(Cl)c(Cl)c1 95349394 UFFBPQKDPDBLBQ-LLVKDONJSA-N 348.230 1.808 0 40 EDAB CCCC(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 95399175 HMFDOINTRPXOMK-MRXNPFEDSA-N 346.427 1.837 0 40 EDAB CCCC(=O)N1CCC(C(=O)N[C@@H](CC)[C@H](O)C(F)(F)F)CC1 95451858 CMFBBYVTVGTEMS-AAEUAGOBSA-N 338.370 1.843 0 40 EDAB O=C(Nc1ccc(F)c(Br)c1)N1CCO[C@@H](CO)C1 78632273 FLDMUXGIEQTHCZ-SECBINFHSA-N 333.157 1.813 0 40 EDAB Cc1ccc(C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)c(=O)[nH]1 95992889 CYCXURAVMPLAQG-UHFFFAOYSA-N 327.319 1.784 0 40 EDAB CC(=O)N1CCOC[C@@H]1C(=O)N1CCC(=Cc2ccccc2)CC1 95979005 FIENKRQOPWFKJS-GOSISDBHSA-N 328.412 1.940 0 40 EDAB C[C@@H](CN(C)CC(=O)Nc1ccc(Cl)cc1)CS(C)(=O)=O 79097967 YTVZMOBBICBTKJ-NSHDSACASA-N 332.853 1.891 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@@H]1CO 74480860 ZICZMSPXEZVURI-FUHWJXTLSA-N 346.475 1.363 0 40 EDAB COC(=O)[C@H](CO)NC(=O)c1csc(-c2ccc(OC)cc2)n1 9908708 JAONXLPKKVVENO-NSHDSACASA-N 336.369 1.082 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 75129220 FFIPPQCVZPHHDO-GOSISDBHSA-N 342.443 1.378 0 40 EDAB COC(=O)CC1(NC(=O)c2cc(N3CCNC3=O)ccc2F)CCC1 75105523 SISVSHOESQEUBL-UHFFFAOYSA-N 349.362 1.571 0 40 EDAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1c[nH]c(=O)[nH]c1=O 75148140 NANOWIDOLQAQKH-UHFFFAOYSA-N 348.409 1.487 0 40 EDAB O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCc2ccccc2C1 79481353 YJORQCGIVNOOSW-UHFFFAOYSA-N 326.396 1.891 0 40 EDAB O=C(Cc1cc(-c2ccc(F)cc2)on1)NCCCN1CCOCC1 23127179 WTRRKGCSBQEKBT-UHFFFAOYSA-N 347.390 1.862 0 40 EDAB CN1CCC(NC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC1 67317742 OSIGKCDVWMHXJH-UHFFFAOYSA-N 347.387 1.899 0 40 EDAB O=C(NS(=O)(=O)c1cccc2nsnc12)[C@@H]1CC[C@H]2C[C@H]2C1 408498753 KWSKVWJMBCIRRM-AEJSXWLSSA-N 337.426 1.932 0 40 EDAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 35904189 IRNVOGJRZNPZSB-GEEKYZPCSA-N 328.368 1.190 0 40 EDAB COCC1(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C(=O)O)CC1 515174198 WOTHXWVALVRMMZ-UONOGXRCSA-N 339.413 1.438 0 40 EDAB Cc1ccc(NC(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)nc1 79484246 ONXLWAYPFSCHEF-CYBMUJFWSA-N 348.428 1.815 0 40 EDAB CCOC(=O)N1C(C)(C)CC(N[C@H]2CCS(=O)(=O)C2)CC1(C)C 217356870 KSMFADAZZKPSQG-LBPRGKRZSA-N 346.493 1.941 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NC1CCCC1 31053785 OHKAKTHMWOEVSG-NSHDSACASA-N 325.434 1.979 0 40 EDAB C[C@H](NS(=O)(=O)N1CCC(C(=O)O)CC1)c1cccc(F)c1F 564653443 GTXVWFSKMRUYFB-VIFPVBQESA-N 348.371 1.657 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC 218541256 TWOORSUUPMNTET-HLLBOEOZSA-N 339.457 1.658 0 40 EDAB CCn1c(SCc2ccc(C(=O)OC)o2)nc2cnn(C)c2c1=O 36615225 BCDMTYGLXHIKCV-UHFFFAOYSA-N 348.384 1.822 0 40 EDAB CCOc1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)nn1 61978378 MYPKABRBFIVCHH-UHFFFAOYSA-N 336.373 1.499 0 40 EDAB COCCN(C)CCNC(=O)C(=O)c1ccc(Br)cc1 79310131 PODMWUARFRAOAG-UHFFFAOYSA-N 343.221 1.326 0 40 EDAB CC(C)(C)[C@@H]1OCCC[C@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)O 563071526 FLHGJCNYARGZBM-RWMBFGLXSA-N 348.465 1.211 0 40 EDAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1cccc(C(F)(F)F)c1 225962546 VJNXVXVUBKNLMR-UHFFFAOYSA-N 339.339 1.382 0 40 EDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccc(OC)cc2)c1=O 222671616 DURRFYODZXPMHG-UHFFFAOYSA-N 347.371 1.074 0 40 EDAB Cc1cc(CNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1 224230406 CADDASQAJUASDY-UHFFFAOYSA-N 327.388 1.943 0 40 EDAB Cn1ncc2c(N)nc(N3CCC(CCCn4ccnc4)CC3)nc21 571363904 DUAIEARXAUTENR-UHFFFAOYSA-N 340.435 1.839 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)NC2CCCCCC2)s1 225824983 IWMPBYKRSQOESP-UHFFFAOYSA-N 332.451 1.888 0 40 EDAB CCCN1CCC(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 46302980 RTIASAYXLBYWEO-UHFFFAOYSA-N 339.461 1.247 0 40 EDAB CN[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 82348622 RHGMVBVBMAGAFH-CYBMUJFWSA-N 337.445 1.186 0 40 EDAB CC1(C)CN(C[C@@H](O)COc2ccc(C(=O)O)cc2)[C@@H]2COC[C@@H]21 573331284 TXCFFILMQNLMJY-VNQPRFMTSA-N 335.400 1.481 0 40 EDAB COC(=O)c1ccccc1NC(=O)c1cc(N2CCOCC2)on1 224077301 ZOWQEHAYJDPXDB-UHFFFAOYSA-N 331.328 1.550 0 40 EDAB C[C@@H](CNC(=O)N1CCSC[C@H]1c1cnn(C)c1)Cn1cccn1 191499466 WMXDTVOVJFSIJX-ZFWWWQNUSA-N 348.476 1.752 0 40 EDAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(C)=O)CC3)C1=O 96262642 QNIIABUZZVUWPA-IBGZPJMESA-N 335.492 1.825 0 40 EDAB Cc1ccc([C@@H](C)N[C@H]2CCCN(CCN3CCOCC3)C2=O)cc1 97237272 DBRRGUVVYRRGRO-MJGOQNOKSA-N 345.487 1.969 0 40 EDAB CC(C)n1cc([C@]2(O)CCCN(C(=O)CCc3ccoc3)C2)nn1 583617708 IASANAJZZFYAHT-KRWDZBQOSA-N 332.404 1.895 0 40 EDAB CN1CCN(C(=O)C[C@H]2C[C@H]3CN(Cc4ccsc4)C[C@H]3O2)CC1 96207268 MBAYCLYXSCFFTD-GVDBMIGSSA-N 349.500 1.502 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)o1 96045686 XGSKDXWQYPYVMD-SFHVURJKSA-N 342.399 1.747 0 40 EDAB Cc1ccc(CN2CCC[C@]3(CCN(S(=O)(=O)N(C)C)C3)C2)o1 96215972 HZUZJBLPEGRQRN-INIZCTEOSA-N 341.477 1.682 0 40 EDAB CC(C)NC(=O)[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H]2OCC[C@H]21 96038846 GDLCKJORPAHYKA-HDMKZQKVSA-N 346.427 1.777 0 40 EDAB O=C(Nc1cnn(-c2ccccc2F)c1)N[C@H]1CCc2ncnn2C1 97101199 REORXLZZKOFUJQ-NSHDSACASA-N 341.350 1.739 0 40 EDAB CN1C(=O)[C@@H](c2cccnc2)CC12CCN(S(=O)(=O)C1CC1)CC2 96199508 TUAXVSOXRJZKSF-OAHLLOKOSA-N 349.456 1.354 0 40 EDAB Cc1nn(C)cc1C(=O)OC[C@H]1CC(=O)N(Cc2ccccc2)C1 96442645 PENNGHADYWJNRG-HNNXBMFYSA-N 327.384 1.934 0 40 EDAB CCCNC(=O)N1CC[C@@](C)(O)[C@@H](NC(C)=O)[C@@H]1c1ccccc1 514290239 WKCGYHUVKOTFLK-XYJFISCASA-N 333.432 1.809 0 40 EDAB biogenic,in-vitro O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1)C1CCCCCCC1 95401308 AKNDTZJYMUKFSM-HOTGVXAUSA-N 342.505 1.725 0 40 EDAB O=C(NC1CCCC1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 96188601 NIOMFOXOOBHRGS-AWEZNQCLSA-N 328.420 1.864 0 40 EDAB O=C(CC1CC1)N[C@@H]1CN(Cc2ccccn2)C[C@@H]2CCCO[C@@H]21 96040648 DEVPLJYPGZTFCV-WDYCEAGBSA-N 329.444 1.977 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)c1ccc(-n3cccn3)cc1)CC2 97199207 MZVKUJRVVUUUCI-CQSZACIVSA-N 336.399 1.771 0 40 EDAB O=C([C@@H]1CCO[C@@H]2CCN(CC3CCOCC3)C[C@H]21)N1CCCO1 96043396 JIHDJDKAXSWMBH-IXDOHACOSA-N 338.448 1.304 0 40 EDAB O=C(C1CCOCC1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 96185082 KPKXLCJCKYMWTO-BBWFWOEESA-N 332.400 1.251 0 40 EDAB O=C(CC1CC1)N[C@@H]1COCCC12CCN(c1ncc(F)cn1)CC2 96215952 OXFXZAHSRDFAAS-OAHLLOKOSA-N 348.422 1.908 0 40 EDAB CC(C)c1nsc(N2CCC(OCCN3CCOCC3)CC2)n1 95408659 KPLKDATXCZYQAQ-UHFFFAOYSA-N 340.493 1.979 0 40 EDAB Cc1cc(N2CCOCC2)nc(CNC(=O)c2c(F)cccc2F)n1 96120900 DITNBOAICWIZKJ-UHFFFAOYSA-N 348.353 1.830 0 40 EDAB CCn1nc(C)cc1C(=O)N1C[C@H]2OC[C@H](Cc3nc(C)no3)[C@H]2C1 96216434 DNXIFTRWQSHESE-GZBFAFLISA-N 345.403 1.233 0 40 EDAB NS(=O)(=O)CCCNC(=O)C1(c2ccc(F)cc2F)CCC1 97231507 VVUQFMKUAFDVGL-UHFFFAOYSA-N 332.372 1.181 0 40 EDAB Cn1cc(N2CC[C@@]3(CCCN(Cc4cccn4C)C3)C2=O)cn1 96074089 HKJJDDBRLBDFFV-GOSISDBHSA-N 327.432 1.778 0 40 EDAB CC[C@H](NCC(=O)N[C@@H]1CCCCNC1=O)c1ccc(F)cc1F 96491946 XKWRPVGBKUHRLO-LSDHHAIUSA-N 339.386 1.790 0 40 EDAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(S(=O)(=O)c3ccccc3)C2)n1 96038923 AOHFOXBRZWGBPT-BPLDGKMQSA-N 349.412 1.714 0 40 EDAB COc1ccc(C(=O)N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1 243491148 NPXIKSXGDJLXOZ-KRWDZBQOSA-N 346.427 1.843 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 247806857 BQYDFRGPWWTHLR-INIZCTEOSA-N 340.383 1.462 0 40 EDAB COc1ccccc1CCC(=O)N1CCN(C(C)C)C[C@@H]1C(N)=O 257289204 PXMYPGJNRHGHPM-OAHLLOKOSA-N 333.432 1.034 0 40 EDAB O=C(C1CC1)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 585086054 BWINNSTXDXZHJQ-YUMQZZPRSA-N 332.244 1.997 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)C1(Cc2ccccc2)CCOCC1 257290504 QDFDTTVHNARGTA-HNNXBMFYSA-N 337.441 1.329 0 40 EDAB Cc1ccnc([C@@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1 257340981 ZIJJEHDNOJPTSP-GFCCVEGCSA-N 335.367 1.651 0 40 EDAB Cc1nc(S(=O)(=O)Nc2ccc(N=S(C)(C)=O)cc2)cn1C 585118913 HRSSAPVENRXCST-UHFFFAOYSA-N 342.446 1.888 0 40 EDAB Cc1c(S(=O)(=O)Nc2ccccc2N=S(C)(C)=O)cnn1C 585129157 ZQCUCLBLEVIKNS-UHFFFAOYSA-N 342.446 1.888 0 40 EDAB COCC(=O)N1CCC2(CC1)C[C@@H](N(C(C)=O)c1ccccc1)CO2 257328082 XEAUFXODSYMZBS-QGZVFWFLSA-N 346.427 1.836 0 40 EDAB Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 257281520 OPPBUVODQOUPPV-LBPRGKRZSA-N 326.356 1.793 0 40 EDAB COc1cc(C(=O)N2C(=N)O[C@@H]3CSC[C@@H]32)cc(OC)c1OC 257221490 DPFURUMPTKSVLS-JOYOIKCWSA-N 338.385 1.604 0 40 EDAB CNC(=O)[C@H]1CN(Cc2cc3ccccc3s2)CCN(C(C)=O)C1 257330076 XMRIWFWYQPPSMI-HNNXBMFYSA-N 345.468 1.928 0 40 EDAB CCc1ncnc(N2CCCN(S(=O)(=O)C3CC3)CC2)c1F 374620164 MBIZWZLOADODDE-UHFFFAOYSA-N 328.413 1.182 0 40 EDAB O=C(O)[C@H](Cc1ccccc1O)NC(=O)[C@H]1OCCc2ccccc21 1608541980 NOPJDHMIZZJVLV-RDJZCZTQSA-N 341.363 1.818 0 40 EDAB CCOC(=O)c1c(CN2CCC[C@H](C(=O)N3CCCC3)C2)n[nH]c1C 595318579 WARRLOHCPCFWPO-AWEZNQCLSA-N 348.447 1.729 0 40 EDAB COC(=O)c1cn(-n2c(S)nnc2C(C)C)cc2c(O)nnc1-2 604418683 GWEQGEQDPKOGAJ-UHFFFAOYSA-N 334.361 1.190 0 40 EDAB C[C@H](NC(=O)C(F)(F)[C@@H](O)c1ccccc1)[C@@H]1CN(C)CCN1C 1615586787 PDTMPFMZIOYVMX-QEJZJMRPSA-N 341.402 1.106 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)C(=O)NCc1cccs1)OC 96385127 ONPGIBUYTNSJCF-OAHLLOKOSA-N 348.424 1.877 0 40 EDAB CCOCc1nnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@@H]2C 585097800 QHAPKGVXHSBVGK-LLVKDONJSA-N 344.371 1.760 0 40 EDAB Cc1ccsc1CN1Cc2ccnn2[C@H](CNS(C)(=O)=O)C1 585111701 FYSHGCNGOIFWNJ-CYBMUJFWSA-N 340.474 1.359 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccccc1OCC(N)=O)c1cccs1 54456318 LEBIUXXHSHHIDK-CYBMUJFWSA-N 347.440 1.645 0 40 EDAB Cc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](NC(=O)C(C)C)C1 65620619 KFQSUSLFVZHJQV-AWEZNQCLSA-N 349.406 1.836 0 40 EDAB CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H]1CCCO1 69417782 WQFJGAUDJVVFKE-KGLIPLIRSA-N 330.392 1.148 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2nc(C)cs2)CCN1CCOC 69739245 WWELSOBZZDMBRI-CYBMUJFWSA-N 326.466 1.433 0 40 EDAB CC(C)[C@H](C(=O)N1CCCN(Cc2cscn2)CC1)n1cncn1 69841532 VRQFDDWDSATTRM-OAHLLOKOSA-N 348.476 1.666 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 69977029 NZVGPMKQAZQPPR-WBVHZDCISA-N 329.444 1.888 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 69947239 LUOQWCZDXBSSRL-INIZCTEOSA-N 340.851 1.424 0 40 EDAB COCCN(Cc1ccoc1)S(=O)(=O)c1c(C)nn(C)c1C 96026035 AFQPZNANHSGCSS-UHFFFAOYSA-N 327.406 1.467 0 40 EDAB CCn1c(C)nnc1CN1CCN(C(=O)c2cccc(O)c2)CC1 83836903 YQBRNBWMNLETNS-UHFFFAOYSA-N 329.404 1.270 0 40 EDAB COCCNS(=O)(=O)c1cnc(N2CCC=C(F)C2)c(Cl)c1 1615045844 BHCVQIKSXRSDOL-UHFFFAOYSA-N 349.815 1.723 0 40 EDAB Cc1ccccc1[C@H](NC(=O)NCCn1ccc(O)nc1=O)C1CC1 1615058437 ZBVSAYFOUQEWSS-MRXNPFEDSA-N 342.399 1.708 0 40 EDAB O=C(Cc1ccccc1)N1CCC[C@@H]1Cn1nnc(-c2cccnc2)n1 12085253 JHCFGPYNPMSVNH-QGZVFWFLSA-N 348.410 1.969 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CCn4c(CO)nnc4C3)cc2c1C 12184374 DXIDCWUOHJYYMV-UHFFFAOYSA-N 325.372 1.525 0 40 EDAB Cc1cc(-c2cnn(CCNC(=O)c3cc[nH]n3)c2C2CC2)on1 12221529 FEPCEYTVUHJXBG-UHFFFAOYSA-N 326.360 1.877 0 40 EDAB O=C(NC1CCCC1)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234260 DNCBNQRNBPSJFP-UHFFFAOYSA-N 343.362 1.602 0 40 EDAB O=S(=O)(c1ccccc1)N1CCC[C@@H]1c1ccnc2ncnn12 19373633 VXAZLPVFRDXJOE-CYBMUJFWSA-N 329.385 1.650 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225736126 JHVPEBUCVIUUIT-SNVBAGLBSA-N 339.339 1.360 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)c2sc(C)nc2C)C1 225807652 WQORBOTYTGEZMJ-NSHDSACASA-N 334.401 1.852 0 40 EDAB COC1(CNS(=O)(=O)c2ccc3c(c2)CCO3)CCSCC1 240178520 YYMDBTOGRJNWSL-UHFFFAOYSA-N 343.470 1.812 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2[C@@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c1 585129451 JXDFAGABGALTRF-WOPDTQHZSA-N 328.438 1.092 0 40 EDAB COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccc([S@](C)=O)cc1 591653038 WYRGCVGZCCDSTE-QRQCRPRQSA-N 325.386 1.130 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1 244942695 CVMGCKOAJWEDLV-UHFFFAOYSA-N 336.417 1.703 0 40 EDAB Cc1ncnc(C(=O)N2CC3(C2)CN(C(C)C)c2nccnc23)c1C 1565556770 USUALGKJPHRYKQ-UHFFFAOYSA-N 338.415 1.506 0 40 EDAB O=C(c1cc[nH]n1)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 1565545404 HRRBJNYXMVSYFK-UHFFFAOYSA-N 339.399 1.602 0 40 EDAB CC(=O)Cn1cnc2c(nnn2-c2ccc(Br)cc2)c1=O 5056847 YIQXONPKHLRZMD-UHFFFAOYSA-N 348.160 1.329 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1cc(F)ccc1F)c1cccn1C 11897865 ZQAODXNVQSFTLL-AWEZNQCLSA-N 343.399 1.885 0 40 EDAB COCC(=O)N1Cc2cn(CC3CC3)nc2[C@H](COCC2CC2)C1 2055751060 COQGUNGBHCVKFD-INIZCTEOSA-N 333.432 1.792 0 40 EDAB CN(C)c1nccc(N2CCN(c3ncnc4ncccc34)CC2)n1 2086889487 HZPZGMARAIXBIN-UHFFFAOYSA-N 336.403 1.207 0 40 EDAB COC(=O)CS[C@@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 206696460 PSFQNPMWEYPJDD-MASHWEEQSA-N 349.408 1.936 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N[C@@H]1CCC12CCOCC2 585409441 SEKMHWSJNXWCCJ-OAHLLOKOSA-N 327.384 1.472 0 40 EDAB CC1(C)CN(S(=O)(=O)c2cccc3ncccc23)CC[S@@]1=O 96461885 KDPKFCOGDWDCFS-OAQYLSRUSA-N 338.454 1.766 0 40 EDAB O=C(C1CC1)N1CCc2c(nc3cc(C4CCNCC4)nn3c2O)C1 100234456 XGOFYPUXCIHONX-UHFFFAOYSA-N 341.415 1.197 0 40 EDAB COCCOc1ccc(NC(=O)NCC(=O)NCC(C)C)cc1F 50059290 INKUYTKTJOSYGC-UHFFFAOYSA-N 341.383 1.745 0 40 EDAB CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CCO1 30852417 KGKDREINARDKJO-JTQLQIEISA-N 346.836 1.499 0 40 EDAB COc1ccc(CCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1F 40476597 GPWDTXHINGUPKZ-GFCCVEGCSA-N 329.393 1.412 0 40 EDAB O=C(NCc1nnc2n1CCC2)N1CCN(c2ccc(F)cc2)CC1 40487715 WKXYJLIMXCWWNO-UHFFFAOYSA-N 344.394 1.395 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)Cc2c(C)noc2C)c1 31337271 CUQSEGPFJLGORX-HNNXBMFYSA-N 334.372 1.701 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)Cn3cccn3)CC2=O)cc1 31389226 CJDGCODJPUAUSK-GJZGRUSLSA-N 326.400 1.749 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H](c3nncn3C)C2)cs1 40522974 JSDQUYLSVZXHRE-SNVBAGLBSA-N 334.405 1.250 0 40 EDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@H](C)C1 40540276 UZCQOPINFTWGEQ-ABAIWWIYSA-N 333.367 1.152 0 40 EDAB CCn1c(=O)n(CC(=O)N[C@@H]2CCN3CCCC[C@H]23)c2ccccc21 40534847 WXIGODRSSOAZCE-HUUCEWRRSA-N 342.443 1.566 0 40 EDAB C[C@H](O)CNC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 40540047 AZMQMRSSLVAJOM-JTQLQIEISA-N 346.353 1.749 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccc(N3CCCCC3)nc2)CC1 40549279 SUVJLFMEXCOZJH-UHFFFAOYSA-N 345.447 1.479 0 40 EDAB CCCn1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)ccc1=O 40554094 NVOYQGMLJUEOJA-UHFFFAOYSA-N 334.397 1.914 0 40 EDAB O[C@@]1(c2ccc(I)cc2)CSC2=NCCN21 267303 HSGUFWTZNKSPSF-LLVKDONJSA-N 346.193 1.855 0 40 EDAB CN1CC[C@H](C(=O)N2CCCN(Cc3ncc(Cl)n3C)CC2)C1 69738532 OMBSIFMFFXIOGP-ZDUSSCGKSA-N 339.871 1.060 0 40 EDAB Cc1ccc([C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)c2ccccc2)cc1 29234144 DLKVDGZWTWIWRO-IBGZPJMESA-N 349.390 1.751 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1nnc2n1CCC2 69439391 RSSLQOWTNYJNTK-ZBEGNZNMSA-N 328.372 1.411 0 40 EDAB Cc1cccc(CCNC(=O)CS[C@@H]2CCS(=O)(=O)C2)c1 60324425 FDPNPXUQLYKHSZ-CQSZACIVSA-N 327.471 1.574 0 40 EDAB O=C(NCCN1CCCCCC1=O)c1cn(-c2ccccc2)nn1 32310150 NPCKITLSLGLVDQ-UHFFFAOYSA-N 327.388 1.400 0 40 EDAB CN(CCOc1ccccc1F)C(=O)c1cccc(-n2cnnn2)c1 32787937 UBUPHLLFXHZCBC-UHFFFAOYSA-N 341.346 1.952 0 40 EDAB CCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(N)=O)nnc12 3375563 FFTSBFAFJYNMCZ-SECBINFHSA-N 331.401 1.420 0 40 EDAB Cc1cc(NS(=O)(=O)c2c(C)cc(-n3cnnn3)cc2C)no1 4726341 MCIUEJKIZDMPOR-UHFFFAOYSA-N 334.361 1.376 0 40 EDAB O=C(NCc1cccnc1-n1cccn1)N[C@H]1c2ccccc2C[C@H]1O 69775322 VAVIDAKDIPADKM-SJORKVTESA-N 349.394 1.725 0 40 EDAB COCCNC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 4861474 XGBXJMMPSQZZOO-UHFFFAOYSA-N 335.364 1.500 0 40 EDAB CN(Cc1nc2ccccc2c(=O)n1CC(N)=O)C1CCCCC1 6549955 MCIQDLXRYUCENX-UHFFFAOYSA-N 328.416 1.646 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2CCN(c3cnn(C)c3)C(=O)[C@H]2C1 107802934 CBHZPXCVQQMGKM-CJNGLKHVSA-N 329.404 1.510 0 40 EDAB O=C(NC1CCCC1)[C@]12C[C@@H]1CCN2S(=O)(=O)c1ccccc1 102604540 HYTYMDVOMHXDPS-GUYCJALGSA-N 334.441 1.899 0 40 EDAB CC(C)Oc1ccc(CNC(=O)NCCCN2CCOCC2)cc1 60906377 ZBIDWWSRXVFART-UHFFFAOYSA-N 335.448 1.995 0 40 EDAB Cc1c(C(=O)N(C)CC(N)=O)cnn1-c1cccc(C(F)(F)F)c1 46979180 KQIMLTTWJLQMEX-UHFFFAOYSA-N 340.305 1.757 0 40 EDAB COc1ccc(OC)c([C@@H](O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 103507332 NMRMPLQIAQLEOC-GUTXKFCHSA-N 333.384 1.912 0 40 EDAB COc1ccc2c(ccn2CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 12324991 AJIUBGYAQLBPPA-CYBMUJFWSA-N 336.413 1.343 0 40 EDAB Cc1cccc(CN2CCN(Cc3oc(CO)cc(=O)c3O)CC2)c1 22787257 OTGQYGXBPQUJJL-UHFFFAOYSA-N 344.411 1.464 0 40 EDAB Cc1ccc2c(c1)N(C(=O)CN1C(=O)[C@@H]3[C@@H](C1=O)[C@H]1C=C[C@H]3C1)CC2 104042634 YFOHHIMZZNQFQL-USJZOSNVSA-N 336.391 1.691 0 40 EDAB Cc1ccc([C@H](NC(=O)CN2CCN(CCO)CC2)C2CC2)cc1 42287244 CLJOSJRDASGYKY-IBGZPJMESA-N 331.460 1.172 0 40 EDAB COc1cccc(C(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)c1 12323784 FZEUZIJZCUVFRO-UHFFFAOYSA-N 338.371 1.324 0 40 EDAB CCN(CC)[C@H](CNC(=O)C1=NN(C)C(=O)CC1)Cc1ccccc1 23197638 FIOBZKDPBYFPQV-INIZCTEOSA-N 344.459 1.664 0 40 EDAB Cc1ccccc1OCC(=O)NCCn1ncc2c1c(C)nn2C 57279756 WWVRJPCXEHHZTM-UHFFFAOYSA-N 327.388 1.582 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1cccc(F)c1 12460099 BHAZBOMOUDCDRF-UHFFFAOYSA-N 327.315 1.858 0 40 EDAB COc1ccccc1CCNC(=O)c1nn(C)c(=O)c2ccccc12 24041680 QLUAQJSPTLNNBE-UHFFFAOYSA-N 337.379 1.915 0 40 EDAB CN(CC(N)=O)CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 47628697 MMNVJDVITIYGCS-INIZCTEOSA-N 335.404 1.510 0 40 EDAB COc1ccc(NC(=O)c2ccc[nH]c2=S)cc1OCC(N)=O 53514776 PFIUPSWVWHEFLP-UHFFFAOYSA-N 333.369 1.869 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@@H](C)c3ccccn3)CC2)no1 43181264 RFCMQGXUODTVLE-AWEZNQCLSA-N 329.404 1.966 0 40 EDAB CN1C[C@@]2(C)CN(C(=S)NC(=O)c3ccccc3)C[C@](C)(C1)C2O 101524133 IBVLDUKDULBWAB-ROUUACIJSA-N 347.484 1.336 0 40 EDAB CN(C(=O)[C@@H]1[C@H](C(=O)O)C1(C)C)[C@H]1CCc2ccccc2NC1=O 106710416 KHTOPLGFWYEBPT-MELADBBJSA-N 330.384 1.755 0 40 EDAB biogenic COc1cc(N[C@H]2CC(=O)N(C3CC3)C2=O)ccc1N1CCCC1=O 12540486 BDBPLBUUZIKRQU-ZDUSSCGKSA-N 343.383 1.524 0 40 EDAB O=C(O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N1c2ccccc2[C@H]2OCC[C@H]2[C@@H]13 101753332 ADBRMMHYTJFVFR-FLRJQUDMSA-N 339.347 1.517 0 40 EDAB CC[C@H]1CN(CC(=O)N(C)Cc2cccs2)CCN1C[C@H](C)O 106908731 VFUGHSYGQYSFCS-GJZGRUSLSA-N 339.505 1.484 0 40 EDAB CC(=O)N1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 35279429 BJIWUQXDAYHUKE-UHFFFAOYSA-N 329.322 1.808 0 40 EDAB CC(=O)N1CCN(C(=O)NCc2ccccc2Cn2ccnc2)CC1 89954503 WQMMGPLTGVQXAO-UHFFFAOYSA-N 341.415 1.305 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)c1cccc(Cl)c1 58049769 LKYAEHAWHLBMRY-CYBMUJFWSA-N 340.807 1.774 0 40 EDAB CCOc1cc2c(cc1CNC[C@H]1CCS(=O)(=O)C1)O[C@@H](C)C2 44862953 FUABRHBUXFYZHN-QWHCGFSZSA-N 339.457 1.933 0 40 EDAB O=C(Cc1cccc(F)c1)NCCNS(=O)(=O)c1cccs1 58265779 IBHPGZOGIJWDBV-UHFFFAOYSA-N 342.417 1.524 0 40 EDAB Cc1nc(C(=O)NCCC(=O)NC(C)C)nn1-c1ccccc1Cl 58257013 YVLTUADTIMDABE-UHFFFAOYSA-N 349.822 1.874 0 40 EDAB CN(C)c1nc(N)nc(CN2CCO[C@H](c3ccc(F)cc3)C2)n1 44914108 IJWHZGOMPSNOOG-ZDUSSCGKSA-N 332.383 1.232 0 40 EDAB CC(C)[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1 44967146 RLXLGYQDWYSZHZ-HNNXBMFYSA-N 339.461 1.671 0 40 EDAB Cc1csc(N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)n1 44917560 NREYOTVZTITGML-UHFFFAOYSA-N 341.440 1.782 0 40 EDAB C[C@H](C(=O)NCC(F)(F)F)N1CCN([C@H](C)c2cccnc2)CC1 76040516 NISCCQJZSJUFNG-CHWSQXEVSA-N 344.381 1.827 0 40 EDAB COc1ccccc1CCNC(=O)NCC(=O)NC1CCCCC1 58356130 PNWTYIJBEXCAIW-UHFFFAOYSA-N 333.432 1.986 0 40 EDAB COc1c(CNCCOc2ccc3c(c2)CCC(=O)N3)c(C)nn1C 58421770 KSKWVSACVRZPIB-UHFFFAOYSA-N 344.415 1.790 0 40 EDAB Cc1cnc2c(S(=O)(=O)N3CCC[C@H]3C(=O)N(C)C)cccc2c1 12632643 LLFVNKZWOSEAQP-AWEZNQCLSA-N 347.440 1.785 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)COn1nnc2ccccc21 10850523 RAMNXHOBWKCCQJ-UHFFFAOYSA-N 338.367 1.848 0 40 EDAB Cc1nn(C)c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 10953433 KDSSHXGIYQBXDR-LLVKDONJSA-N 345.355 1.950 0 40 EDAB Cc1cc(I)ccc1NC(=O)[C@H](C)NC(N)=O 3375234 JRWZVBODBYJGRU-ZETCQYMHSA-N 347.156 1.595 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O 3377754 VDXGGBFGGJLZOE-UHFFFAOYSA-N 333.344 1.225 0 40 EDAB COc1cc(CNC(=O)N2CCC(CN3CCOCC3)CC2)ccn1 45521582 RSJOJGWDVIXHHE-UHFFFAOYSA-N 348.447 1.344 0 40 EDAB NS(=O)(=O)c1ccc(OCCN2CCC[C@H]2c2ccc[nH]2)cc1 48250098 UOWRGXHPWZDQRP-INIZCTEOSA-N 335.429 1.878 0 40 EDAB COc1cccc([C@@H](NC(=O)NC[C@@H]2CCOC2)c2nccn2C)c1 48281815 NTOWCCSHCREUOE-XJKSGUPXSA-N 344.415 1.854 0 40 EDAB Cc1nc(/C=C/C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cs1 12783535 XGYCUVKWCZZGAE-LQYUOIDQSA-N 327.409 1.904 0 40 EDAB COc1ccc(CNC[C@@H]2CCS(=O)(=O)C2)cc1Br 37982578 RGSXPULKVVOJTA-NSHDSACASA-N 348.262 1.982 0 40 EDAB CCc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCCN3C2=O)cc1 12856254 VJPHOEOCRGIBGX-GOEBONIOSA-N 332.400 1.805 0 40 EDAB NC(=O)[C@H]1C[C@H](O)CN1c1nc(C(F)(F)F)nc2ccccc12 12846758 CIIKWDSNNNPNLJ-OIBJUYFYSA-N 326.278 1.074 0 40 EDAB C[C@@H]1CC(=O)NN1CCS(=O)(=O)c1ccc(Br)cc1 12809163 IUMINHDMFYRZDV-SECBINFHSA-N 347.234 1.348 0 40 EDAB O=C([C@@H]1CCCN(Cc2cc(=O)c(O)co2)C1)N1CCCCCC1 77174149 KBJGSHSZXJXNDO-CQSZACIVSA-N 334.416 1.960 0 40 EDAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CCCC1 12927930 BUSHDMGUCHEQSW-OAHLLOKOSA-N 349.456 1.809 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccc(F)cc1 69516719 RUTJVEULWCAKAD-WFASDCNBSA-N 330.363 1.291 0 40 EDAB Cc1nnc([C@H](C)N2CCN(c3ccc4nncn4n3)[C@H](C)C2)o1 69510117 LAKDWATZFACLJQ-MNOVXSKESA-N 328.380 1.087 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)NCc1cccc2c1OCCO2 67027635 MUSFQJKXAJLPFI-UHFFFAOYSA-N 347.392 1.791 0 40 EDAB CC1(C(=O)OCCCn2c(=O)[nH]c3ccccc3c2=O)CCOCC1 78445974 AXEGPIPVLQCDSW-UHFFFAOYSA-N 346.383 1.440 0 40 EDAB C[C@H](NC(=O)N[C@H](C(N)=O)c1ccccc1)C(=O)N1CCCC[C@@H]1C 69893595 YDFNRIWLLDMEAM-YDHLFZDLSA-N 346.431 1.302 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)Nc3ccccn3)cn2)CC1 65436870 LLYUZJGYMWPLSV-UHFFFAOYSA-N 340.431 1.940 0 40 EDAB COc1cccc([C@@H](CNC(=O)N[C@@H](C)Cn2ccnc2)N(C)C)c1 65458043 VYHZTZKHCGHQGB-WMLDXEAASA-N 345.447 1.882 0 40 EDAB C[C@@H](NC(=O)NCCc1cccnc1)c1ccc(S(N)(=O)=O)cc1 65440475 JDLSBFUQCKLAQH-GFCCVEGCSA-N 348.428 1.332 0 40 EDAB O=S(=O)(CCNC1(CO)CCOCC1)c1ccc(Cl)cc1 65550208 MRXOGPAPSKSGGQ-UHFFFAOYSA-N 333.837 1.245 0 40 EDAB CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCCNC2=O)cn1 65587394 BADRMSLOYNOZFG-CQSZACIVSA-N 333.436 1.396 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(=O)N(C)C)CC2)c1C 8705578 WMBNGTVJZXPUQJ-UHFFFAOYSA-N 335.404 1.359 0 40 EDAB O=C(COn1nnc2ccc(Cl)cc21)NCc1ccc(F)cc1 5440941 DLJDXDWQHAPYKN-UHFFFAOYSA-N 334.738 1.969 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)N(CCN(C)C)Cc1cccc(F)c1 65939603 BKWYVEVGEIYDPL-WMLDXEAASA-N 349.450 1.878 0 40 EDAB COC(=O)c1ccccc1S(=O)(=O)NC(=O)C1(C)CCCC1 69579208 ZTJJDWSUIOULLS-UHFFFAOYSA-N 325.386 1.858 0 40 EDAB Cc1cc(C)c([C@@H](C)NC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1C 9254355 QHOXEWXWUGZNBW-GFCCVEGCSA-N 331.372 1.210 0 40 EDAB COc1ccc(C)cc1CN1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 78896142 UJZPUQARPWOJTB-QFBILLFUSA-N 345.487 1.988 0 40 EDAB C[C@@H](Nc1ncc(Br)cn1)C(=O)N1CCSCC1 67372252 BZLGJKRWQOLHRX-MRVPVSSYSA-N 331.239 1.615 0 40 EDAB CN1C[C@@H](C(=O)NCCCOc2cccc3cccnc23)CC1=O 68391145 VIWDDHRORGJXEZ-AWEZNQCLSA-N 327.384 1.598 0 40 EDAB COc1ccc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)c2ccccc12 7880470 UITNMXZCQUZOLN-LLVKDONJSA-N 342.351 1.946 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24689145 YDIQHONZQDITEA-UONOGXRCSA-N 340.445 1.384 0 40 EDAB C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccccc1 16410812 YKBWHMXRDRLOET-WCQYABFASA-N 333.417 1.971 0 40 EDAB CN(C)C[C@@H](O)Cn1cc(NC(=O)Nc2ccc3c(c2)CCC3)cn1 70040592 OVPPEYQQGUVLGG-QGZVFWFLSA-N 343.431 1.938 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 70007274 GSGPMUDRQALLHT-ZDUSSCGKSA-N 341.477 1.015 0 40 EDAB COCc1ccc(C(=O)OCC(=O)NC2CCN(C(C)C)CC2)o1 70036805 ODHKQGNCQHWTCJ-UHFFFAOYSA-N 338.404 1.572 0 40 EDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1ccco1 96224239 CKHMTTJJMAIUIC-AWEZNQCLSA-N 345.355 1.432 0 40 EDAB O=C(O)CCNC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 9486420 ASHRSWRBXNYZGK-UHFFFAOYSA-N 344.371 1.110 0 40 EDAB C[C@H]1Oc2ccccc2N(CC(=O)NC2(C(=O)O)CCCCC2)C1=O 71802794 VUIRJTYYVHQCRZ-GFCCVEGCSA-N 346.383 1.704 0 40 EDAB C[C@H](CN1CCN(C)CC1)NC(=O)NCC1(c2ccccc2F)CC1 71914625 QKWDSYOQVKMIDL-OAHLLOKOSA-N 348.466 1.792 0 40 EDAB Cc1ccccc1-n1ccnc1SCC(=O)NCc1cn[nH]n1 97011692 LEYNWTMTMLNHNG-UHFFFAOYSA-N 328.401 1.707 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N1CCCC[C@@H]1CN1CCCC1=O 72278009 VMIXTWYZLNWECF-LSDHHAIUSA-N 333.436 1.458 0 40 EDAB COc1cc(CCC(=O)N[C@H]2CCCC[C@H]2C(N)=O)cc(OC)c1 79015895 FVQXMAXPWGSWMT-CVEARBPZSA-N 334.416 1.797 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N(CC(N)=O)C(C)(C)C)CC2=O)cc1 97165017 BXEXZODCJFCVEK-ZDUSSCGKSA-N 331.416 1.460 0 40 EDAB CCn1nc2c(cc1=O)CN(CCS(=O)(=O)c1ccccc1)CC2 72302161 YQAROXUSXSXMCQ-UHFFFAOYSA-N 347.440 1.095 0 40 EDAB CCc1n[nH]c(=S)n1CCNC(=O)Cc1cn2ccsc2n1 72304258 GATSXDSXAZFFCY-UHFFFAOYSA-N 336.446 1.571 0 40 EDAB CCN1CCC(NC(=O)CN2CCC(Oc3ccccn3)CC2)CC1 72308073 AZNAQIPEZDLXIA-UHFFFAOYSA-N 346.475 1.525 0 40 EDAB CCCn1c(=O)n(CCC(=O)NC2CCOCC2)c2ccccc21 84759150 NRAILTNKFKLGQI-UHFFFAOYSA-N 331.416 1.898 0 40 EDAB C[C@H](C(=O)NCC(F)(F)F)N1CCCN(c2ncccn2)CC1 95431966 QULHIRZCHGBGKO-LLVKDONJSA-N 331.342 1.056 0 40 EDAB O=C(O)COc1cccc(CNC(=O)[C@@H]2Cc3ccccc3O2)c1 95970711 OMXOOLNHHGEVSG-INIZCTEOSA-N 327.336 1.770 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 408620953 KTULYKNSCVSYDX-XOSVDHCLSA-N 337.331 1.609 0 40 EDAB O=C(N[C@@H]1CCc2c(Cl)cccc21)N1CCS(=O)(=O)CC1 89800163 YCUGGQHZMKOEAC-CYBMUJFWSA-N 328.821 1.767 0 40 EDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1C 110665791 LVSSDOYRLXSXPP-IMJJTQAJSA-N 336.457 1.639 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1CCCN(C2CCCCC2)C1 69110421 PDQHIJLZMYHEMJ-LSDHHAIUSA-N 334.468 1.763 0 40 EDAB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)OC 36739310 DRKZYUVRDZGBKV-GWCFXTLKSA-N 339.417 1.160 0 40 EDAB Cc1sc(=O)n(CC(=O)N2CC(C)(C)[C@@H]2c2nccn2C)c1C 1550804945 RZAIGAGIMLCHHZ-ZDUSSCGKSA-N 334.445 1.870 0 40 EDAB O=C1CNC(=O)N1c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 32598919 YSVRPPXVWOTCKS-UHFFFAOYSA-N 349.343 1.683 0 40 EDAB CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCO 217515422 LNGAYJNZZBNRSW-UHFFFAOYSA-N 344.433 1.648 0 40 EDAB Cc1cccc(C(=O)N2C[C@H]3OC[C@@H](CNc4ccccn4)[C@H]3C2)n1 306131324 KBZFWJGMSPKOPR-BFYDXBDKSA-N 338.411 1.984 0 40 EDAB CO[C@H](C)CS(=O)(=O)N1CCc2c(F)ccc(C(=O)O)c2C1 530150598 HBDFTEQLGANIOJ-SECBINFHSA-N 331.365 1.247 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)Nc2nccs2)[C@H]1c1ccccc1F 72241636 AFRHDHRJWWOIOZ-CHWSQXEVSA-N 335.360 1.819 0 40 EDAB COC(=O)CN1C(=O)N/C(=C\c2c(OC)ccc3ccccc23)C1=O 33746496 WAIVURWWJOHUTI-ZROIWOOFSA-N 340.335 1.914 0 40 EDAB COc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C 71287652 WRVLRMQEOLLZBI-KBPBESRZSA-N 346.383 1.883 0 40 EDAB Cc1ccc(C(=O)NCCOc2cc(N3CCOCC3)ncn2)cc1 38520304 QLUZTBDFDQVMRR-UHFFFAOYSA-N 342.399 1.430 0 40 EDAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2cccc(-n3cccn3)c2)C1 76374194 ABYJJKHGBJBJCB-ZBFHGGJFSA-N 347.440 1.958 0 40 EDAB Cc1cccc(CN2Cc3nc(N4CCC(O)CC4)ncc3C2=O)c1 72260043 SPMMEMVJVMLVDG-UHFFFAOYSA-N 338.411 1.902 0 40 EDAB COc1cc([C@H]2[C@@H](C(C)=O)C(=O)C[C@](C)(O)[C@H]2C(C)=O)ccc1O 36030330 NKAAALBAEMIJHC-XSLAGTTESA-N 334.368 1.619 0 40 EDAB CCOC(=O)[C@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC 218412733 VXJOXLVIIQPCPT-DYEKYZERSA-N 331.821 1.501 0 40 EDAB CNCC(=O)N1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 72360901 CIOBILFLYBKSTK-ZDUSSCGKSA-N 326.404 1.541 0 40 EDAB COc1ccccc1[C@@H](NC(=O)CN(C)C(C)C)c1noc(C)n1 72871129 NWPFCCOMUIWUJU-MRXNPFEDSA-N 332.404 1.932 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1cnn(C)c1 182979904 CXLNYUAJKXBAIH-CVEARBPZSA-N 345.451 1.683 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2c(F)cccc2F)s1 225172498 PVODEVOXDUDHBE-UHFFFAOYSA-N 348.356 1.966 0 40 EDAB Cc1nn(C)c2cn(CC(=O)NCc3ccc4c(c3)OCO4)nc12 41124245 ADEVGZPEQZTMSE-UHFFFAOYSA-N 327.344 1.123 0 40 EDAB CN1CCN(c2ncc(NC(=O)Cc3ccc(F)cc3)cn2)CC1 224254887 JJVSLSXNLQQJEL-UHFFFAOYSA-N 329.379 1.549 0 40 EDAB CN(C)c1noc(CNC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)n1 570736513 FBHYBXKZCMKMLO-ZDUSSCGKSA-N 337.811 1.708 0 40 EDAB CCNC(=O)N1CC[C@H](NC(=O)N2CCC=C(Br)C2)C1 225653578 NRCOBOLRCIAWMK-NSHDSACASA-N 345.241 1.484 0 40 EDAB C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@H]1CCCOC1 225790720 FCZXMEXTOADLQH-KGLIPLIRSA-N 340.445 1.286 0 40 EDAB O=C([C@H]1Cc2ccccc2CO1)N1CC[C@H](Oc2cccnn2)C1 225417204 JAPXCBNBEIXAQI-JKSUJKDBSA-N 325.368 1.598 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCC([C@H]2CCCO2)CC1)c1cnn(C)c1 195573816 JLERITRGSSWHFR-DLBZAZTESA-N 349.479 1.623 0 40 EDAB CCCN1CCCN(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CC1=O 190190652 SSHBRXTWVUNLRU-ZDUSSCGKSA-N 349.479 1.622 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)C1 96407593 OYQGVNRBABENPZ-UKRRQHHQSA-N 348.422 1.701 0 40 EDAB COc1ccc(C)cc1NC(=O)[C@H]1CCc2nn(C)c(=O)cc2C1 238863733 LGVAHXFKGGKZMM-LBPRGKRZSA-N 327.384 1.841 0 40 EDAB Cc1ccc(CC(=O)N[C@H]2CCCC[C@H]2n2cc(CO)nn2)cc1 530518115 NAOFZBCBBQABPV-DLBZAZTESA-N 328.416 1.921 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3C[C@@H](c4ccnc(C)n4)O[C@@H]3C2)cn1 96046362 PAUQRICEIORDFR-RRQGHBQHSA-N 339.399 1.876 0 40 EDAB Cc1csc(C[C@H]2OC[C@H]3CN(C(=O)c4ccnn4C)CC[C@H]32)n1 96206492 OCUKXPTYTRRZEX-UMVBOHGHSA-N 346.456 1.905 0 40 EDAB CN(C)C(=O)CO[C@H]1COC2(CCN(Cc3ccccn3)CC2)C1 96047832 DSIHMFNSJRVIFW-MRXNPFEDSA-N 333.432 1.310 0 40 EDAB CN(C)CCN1CC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cccs1 96184316 BRMNAQXVWFWGNT-STQMWFEESA-N 329.491 1.147 0 40 EDAB CS[C@@H](C)C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 583622990 GHFKAMOYNQTJSO-SDDRHHMPSA-N 326.466 1.857 0 40 EDAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(O)c1 96113827 JGPMDXYSFHRDTA-CQSZACIVSA-N 325.324 1.472 0 40 EDAB biogenic CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(CC1CC1)C2 96050168 AYWSDUBVSUWNJI-LJQANCHMSA-N 327.428 1.736 0 40 EDAB Cc1cc(C(=O)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)no1 96067061 QADZZPOTPMNDKJ-CYBMUJFWSA-N 326.360 1.348 0 40 EDAB Cc1ccc(N2CC[C@H]3OCC[C@@H](C(=O)N4CCCC4)[C@H]3C2)nn1 96043437 NAJKDLGJLPMICT-BZUAXINKSA-N 330.432 1.639 0 40 EDAB CCOCCN1CC[C@H]2C[C@H](C(=O)N(C)Cc3ccccn3)O[C@@H]2C1 96042809 SHSGBFWAFMSQCF-CGTJXYLNSA-N 347.459 1.556 0 40 EDAB Cc1cc(C(=O)N2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)no1 96161417 XNHHVXBOTFZRTL-KBXCAEBGSA-N 325.368 1.729 0 40 EDAB CC(C)(C)N1C[C@@H](C(=O)N2CCNC[C@@H]2c2ccncc2)CC1=O 333323341 UVLXPHDFOKJLES-LSDHHAIUSA-N 330.432 1.202 0 40 EDAB CN(C)C(=O)c1cccc(CCNS(=O)(=O)c2cccs2)c1 96428280 IWKZJAUYUMBIIM-UHFFFAOYSA-N 338.454 1.971 0 40 EDAB O=C([C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(F)c1)N1CCOCC1 247873636 MUDYBZRKZPQGMN-BBWFWOEESA-N 346.402 1.779 0 40 EDAB C[C@H](Cn1ncc2ccccc21)C(=O)N1CSC[C@H]1C(=O)N(C)C 241701745 QKWZJBIJZPTZKF-DOMZBBRYSA-N 346.456 1.662 0 40 EDAB Fc1cnc(N2CC3(C[C@H](OCc4cccnc4)CCO3)C2)nc1 247524895 MRCDYUFKYPDHKG-OAHLLOKOSA-N 330.363 1.965 0 40 EDAB Cc1nc(CN2Cc3cncn3[C@@H](C(=O)N3CCCCO3)C2)cs1 247966976 QXFNGZGRTPGVCV-OAHLLOKOSA-N 347.444 1.759 0 40 EDAB CCn1cc(CN2CCC3(CC2)C[C@@H](O)C(C)(C)N(C(C)=O)C3)cn1 257247374 IYTACCHWXDCEHW-QGZVFWFLSA-N 348.491 1.877 0 40 EDAB CC(=O)N1CCC(C(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)CC1 257212682 CENFBZVCBFUPNP-JKSUJKDBSA-N 335.448 1.104 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)cn1 257244063 IJRXOXCUKJQFCG-INIZCTEOSA-N 326.400 1.841 0 40 EDAB C[C@H]1CN(C(=O)Nc2[nH]nnc2C(=O)N2CCCC2)C[C@@H](C)S1 585119282 AGXVIPAZVVSTDC-AOOOYVTPSA-N 338.437 1.398 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccc(F)cc2Cl)CCN(C(C)=O)C1 257344755 ZYOAOMGUCPSCIG-CYBMUJFWSA-N 341.814 1.505 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCCN32)C1 585122264 UIMKDSWVAMSXRW-IXDOHACOSA-N 333.476 1.768 0 40 EDAB C[C@@H]1[C@H](C(=O)N[C@H]2CCNC2=O)CCCN1C(=O)OC(C)(C)C 585112965 PMBGSXRHJIDAKW-UTUOFQBUSA-N 325.409 1.027 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CCC[C@@H](c2ccnc(O)n2)C1 257233779 GQSCIODPQJEVLI-LLVKDONJSA-N 337.376 1.890 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1cncnc1 257223121 DVYDBXLCDQLEBT-KRWDZBQOSA-N 326.400 1.891 0 40 EDAB Cc1cc(CCNS(=O)(=O)Cc2cc(F)ccc2F)nn1C 253405179 RYEQZBMEKXLUMU-UHFFFAOYSA-N 329.372 1.669 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1cccc(Cl)c1 257276168 NSPNKCZNTNDNJK-BZUAXINKSA-N 338.835 1.684 0 40 EDAB CO[C@@H]1CC[C@H]2OCCN(Cc3nc(N)c4ccccc4n3)[C@H]2C1 252486580 LVIOTYBEAHWZSW-UHOFOFEASA-N 328.416 1.980 0 40 EDAB CC(=O)N1CC[C@@H](Cc2nccnc2C(=O)NC2CCCCC2)C1 257275212 NOJIRIATIYZMKD-AWEZNQCLSA-N 330.432 1.950 0 40 EDAB N[C@@H]1C[C@@H]2C[C@@H](C(=O)N3CCn4ncc(Br)c4C3)C[C@H]21 1615552516 DRUWCPZETQZQAY-BTQIBKBOSA-N 339.237 1.361 0 40 EDAB C[C@H]1CN(C[C@@H](O)c2ccc(F)cc2)CCN1C(=O)c1cnn(C)c1 1615626079 MPYBXEFOALQVRZ-SUMWQHHRSA-N 346.406 1.439 0 40 EDAB Cc1cccnc1CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C)C1 1615614005 CXQCYVWLFSSCPU-CJNGLKHVSA-N 337.445 1.009 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)c1 96025766 WKHKKGGFCNXXCJ-OAHLLOKOSA-N 331.397 1.585 0 40 EDAB O=C(Cn1cccc1)N1CCC(S(=O)(=O)c2ccccc2)CC1 96372226 HJCGHAORPGJLIW-UHFFFAOYSA-N 332.425 1.953 0 40 EDAB O=C(NCc1cccs1)[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575403601 HOVIIPALCQTLJS-OAHLLOKOSA-N 344.440 1.944 0 40 EDAB COc1ccccc1NC(=O)NCCn1nc(C2CC2)ccc1=O 575609346 WGVJMYRVXOZOQS-UHFFFAOYSA-N 328.372 1.951 0 40 EDAB CC(C)C[C@H](C(=O)O)N1CCN(S(=O)(=O)c2ccccc2)CC1 580839097 ZGHXUXMQDDOWTH-OAHLLOKOSA-N 340.445 1.492 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)C[C@@H]1O 585276707 CVWABXMIJDFPFF-SJORKVTESA-N 326.396 1.338 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)c2ncccn2)C1 585279185 WXLZOTZPONUSIW-GOSISDBHSA-N 327.384 1.831 0 40 EDAB C[C@H](CNC(=O)N[C@@H]1CCCCNC1=O)N1CCc2ccccc21 44968078 FPDZBHUPIMZEBO-UKRRQHHQSA-N 330.432 1.406 0 40 EDAB CN(C(=O)c1cc(C2CC2)n(C)n1)c1ccc(N2CCOCC2)nc1 680406763 DOPOKCKLGNOPAU-UHFFFAOYSA-N 341.415 1.806 0 40 EDAB CN(C)c1ccc(CNC(=O)Nc2ccc(-n3cncn3)nc2)cn1 48132423 JTUHIPZBNOABTF-UHFFFAOYSA-N 338.375 1.445 0 40 EDAB CN(CC(=O)NC(C)(C)C)CC1=NS(=O)(=O)c2ccccc2N1 58315480 BONMFDGARDKWHH-UHFFFAOYSA-N 338.433 1.046 0 40 EDAB O=C(CN1C(=O)CSc2ccccc21)N1CCN2CCCC[C@H]2C1 71839975 NVGROLSTXGLJNL-AWEZNQCLSA-N 345.468 1.822 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCc2cccs2)CC1 69703007 NQXSHUWGQXJRIT-HNNXBMFYSA-N 335.473 1.621 0 40 EDAB CN(CCCOc1ccccc1)C(=O)CN[C@@H]1CCc2ncnn2C1 69814186 VVHZFGAQVCVASV-OAHLLOKOSA-N 343.431 1.110 0 40 EDAB CN(C)c1ccc(C(=O)N2CCCN(Cc3cscn3)CC2)cn1 69840902 TWMLJWKLODGKJW-UHFFFAOYSA-N 345.472 1.952 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)[C@H](C)c2cc(C)oc2C)CC1 69930078 YLVUSTJGZFGTDB-GDBMZVCRSA-N 338.448 1.542 0 40 EDAB CC(=O)N1CCN(C2COC2)C[C@@H](Cc2cccc3ncccc23)C1 1615155164 OVRPRACHEUAUAD-INIZCTEOSA-N 339.439 1.956 0 40 EDAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[C@](C)(N(C)C)C2)cc1 1615588460 QFKCWFPTZHSGQX-WMZOPIPTSA-N 335.448 1.411 0 40 EDAB COc1cc(-c2noc(CCNC(=O)CO)n2)cc(Cl)c1OC 1616037286 GFOFFSOPFMNJPV-UHFFFAOYSA-N 341.751 1.058 0 40 EDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(Cl)nc(Cl)n2)C1 5018179 KNJJDZGBWDVHNF-DTWKUNHWSA-N 338.198 1.964 0 40 EDAB Cn1c(=O)[nH]c(=O)n(-c2ccc(Oc3ccc(F)cc3)cc2)c1=O 5530434 ZRGLVIMKMDWIBY-UHFFFAOYSA-N 329.287 1.156 0 40 EDAB O=C(Cn1cccnc1=O)N[C@@H](Cc1ccsc1)c1cccnc1 12228594 VNEKYZLUYGWPSU-HNNXBMFYSA-N 340.408 1.800 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CNC(=O)c1ccccc1 13117009 SXTNITMYZHCQIM-OKILXGFUSA-N 332.400 1.749 0 40 EDAB COc1ccc2c(CN3C[C@@H]4C[C@@H](O)CN4C[C@@H]3C)cn(C)c2c1 19575991 OTNCHDAXEGVXOT-CWRNSKLLSA-N 329.444 1.826 0 40 EDAB COc1ccc(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1 16849912 YHDLTEIPYJVLDY-UHFFFAOYSA-N 331.372 1.194 0 40 EDAB CC(C)c1nc(N2CCN(C(=O)[C@H]3CCOC3)CC2)nc(O)c1F 1888853167 HBOHYPFJPOGKLN-NSHDSACASA-N 338.383 1.130 0 40 EDAB CCc1ncnc(N2CCN(c3ncnc4n[nH]cc34)CC2)c1F 1888879555 YIYSHVLKTPVRIA-UHFFFAOYSA-N 328.355 1.171 0 40 EDAB CCc1ncnc(N2CCN(c3ccc(N(C)C)nn3)CC2)c1F 1888903877 MBXDIOHYLLXSDU-UHFFFAOYSA-N 331.399 1.361 0 40 EDAB Cc1cc(C)n(-c2cc(N3CCN(Cc4ccccn4)CC3)ncn2)n1 1889139265 ZWAMSXPJZAPQKI-UHFFFAOYSA-N 349.442 1.996 0 40 EDAB CCOC(=O)[C@H]1CCCN(Cn2nc(-c3ccc(F)cc3)oc2=O)C1 14112230 CAKRFKADIOBRGU-ZDUSSCGKSA-N 349.362 1.875 0 40 EDAB COc1ccccc1NC(=O)Cc1noc(CN2CCO[C@H](C)C2)n1 24177889 PHFWAYBOWMUACA-GFCCVEGCSA-N 346.387 1.480 0 40 EDAB CCN1C[C@@H](C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1=O 31215997 OVUIKNQMSZWBEL-ZDUSSCGKSA-N 327.388 1.691 0 40 EDAB CN1CCCC[C@]2(CN(C(=O)COc3ccccc3)CCO2)C1=O 2037985361 HFYNFIZRXHEUFA-SFHVURJKSA-N 332.400 1.305 0 40 EDAB CC(C)CNC(=O)[C@H]1C[C@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]1O2 1565546067 RVBVERLJPGVEJA-HRCADAONSA-N 333.432 1.335 0 40 EDAB CC(C)CN(C)C(=O)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055713731 DSAPBNSBQALFHB-AWEZNQCLSA-N 332.448 1.700 0 40 EDAB CC[C@H](C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055716090 YQWAXYWIDUPQMM-QWHCGFSZSA-N 332.448 1.890 0 40 EDAB O=C(c1cnc2n1CCN(CC1CCCCC1)C2)N1CCOCC1 2055747595 LLOMDZVIZPNMDB-UHFFFAOYSA-N 332.448 1.751 0 40 EDAB COCCn1/c(=N\C(=O)c2ccnn2C)sc2cccc(F)c21 101335322 JWWQUPRJJBZAJN-OBGWFSINSA-N 334.376 1.963 0 40 EDAB Cn1ccc2ccn(CCNS(=O)(=O)c3ccccc3F)c(=O)c21 575618995 YRHKPVCNBGIRGK-UHFFFAOYSA-N 349.387 1.458 0 40 EDAB CN(Cc1ccccc1N1CCCC1)C(=O)C1=NN(C)C(=O)CC1 40474111 CPVMKYSLHYASPD-UHFFFAOYSA-N 328.416 1.853 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)c3cnccn3)cn2)C[C@@H](C)O1 40529369 KPDFMXSSXNJSGI-BETUJISGSA-N 327.388 1.415 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1C[C@@H](O)c1ccccc1Cl 51260121 HKGOUMCEOYHDKM-BXUZGUMPSA-N 326.805 1.801 0 40 EDAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccncc2)n2ncnc2N1 93206 XTWMKLORIOIULM-OAHLLOKOSA-N 333.355 1.996 0 40 EDAB O=C(O)CN(CC1CC1)S(=O)(=O)c1ccccc1Br 36885470 CVEAYJKRWDEPIL-UHFFFAOYSA-N 348.218 1.934 0 40 EDAB CN(CC(=O)NCCc1cccc(Cl)c1)c1ncnc2[nH]cnc12 45978848 ZAFXPJNCRIYGRQ-UHFFFAOYSA-N 344.806 1.801 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)Cc2noc3ccccc23)C1 32268640 UYMGWAURHMJQIA-CQSZACIVSA-N 331.416 1.843 0 40 EDAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(=O)[nH]c3)c2C(N)=O)C1 7986510 KMDWJAYWGRXNQH-MRVPVSSYSA-N 331.397 1.912 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccc(N)cc2)n1 1372664 OZBMQTDVUDXDGI-LBPRGKRZSA-N 334.383 1.900 0 40 EDAB O=c1c(NCc2ccncc2)c(N2CCN(c3ccccn3)CC2)c1=O 101708339 UYLFJTYZMZVVQQ-UHFFFAOYSA-N 349.394 1.011 0 40 EDAB CN(C(=O)COC(=O)c1nccnc1N)[C@H]1CCCc2ccccc21 32573765 CXLQKAIDTLMWFA-AWEZNQCLSA-N 340.383 1.752 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2)c1 3490420 WVPQHBREHJYLAF-UHFFFAOYSA-N 348.380 1.390 0 40 EDAB CC(C)n1c(CN2C[C@@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4370711 LJTYZLJZLBFQTL-BETUJISGSA-N 347.463 1.493 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 6949939 OXALBWWGGORDNP-UHFFFAOYSA-N 335.809 1.922 0 40 EDAB C[C@H](O)CN1CCC(CN(C)[C@@H](C)C(=O)Nc2nccs2)CC1 69739705 UQRJBIDZBLAEKG-STQMWFEESA-N 340.493 1.495 0 40 EDAB Cc1nnc(CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)o1 8075331 LMGZWNGKURXXGM-ZDUSSCGKSA-N 325.328 1.522 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)[C@H]1CCCCN1S(C)(=O)=O 46406311 WLLFHLITTIOSHV-CYBMUJFWSA-N 329.422 1.064 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1=O 46483864 XGSDHDZLQQVQPO-STQMWFEESA-N 337.420 1.267 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(CC)CC)cc1 52410838 DYPRGSDVXNUNLC-GFCCVEGCSA-N 328.434 1.621 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)CN3CCCC3=O)CC2)cc1 8170441 NLRGNDRFFDZMDL-UHFFFAOYSA-N 329.400 1.160 0 40 EDAB C[C@@H]1Cc2cc(C(=O)NC[C@@H]3CCOC3)ccc2N1S(C)(=O)=O 41373309 NNPNEQXPRGSLNW-NEPJUHHUSA-N 338.429 1.164 0 40 EDAB CC[C@@](C)(CNC(=O)CCN1CCSC1=O)N1CCOCC1 41406798 ONPRGXRLFIDHNV-HNNXBMFYSA-N 329.466 1.162 0 40 EDAB Cc1cc(NC(=O)CNS(=O)(=O)Cc2ccc(Cl)cc2)no1 41427407 RUPUFXWRHGMLFD-UHFFFAOYSA-N 343.792 1.695 0 40 EDAB CCn1c(=O)n(CC(=O)Nc2cccc(C(N)=O)c2)c2ccccc21 10448551 CEHSZZZDISSLFA-UHFFFAOYSA-N 338.367 1.561 0 40 EDAB O=C(NCc1nnc2n1CCCC2)C1=NO[C@@H](c2ccccc2)C1 53062433 ZEKIWIHSRVYEMS-CQSZACIVSA-N 325.372 1.748 0 40 EDAB CN1N=C(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)CCC1=O 103133297 ROSQNSRWQSJWKG-INIZCTEOSA-N 342.443 1.275 0 40 EDAB COc1cc(C(=O)N(C[C@H]2CCOC2)C2CC2)ccc1OCC(N)=O 46935887 UAIKSPKDYAAXNF-GFCCVEGCSA-N 348.399 1.200 0 40 EDAB COc1ccccc1CNS(=O)(=O)c1ccsc1C(=O)O 37370768 WRVVMRLOXCXQNG-UHFFFAOYSA-N 327.383 1.933 0 40 EDAB O=C1C[C@H](N(C(=O)c2cccc(C(F)(F)F)c2)C2CC2)C(=O)N1 103736820 CFKGJOBABNRLPO-NSHDSACASA-N 326.274 1.725 0 40 EDAB C[C@@H](CC(=O)NCCCN1CCCC1=O)NC(=O)c1ccccc1 22626844 PRMVSYUNRNNICI-AWEZNQCLSA-N 331.416 1.324 0 40 EDAB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 814669 YKQIFBKOICWIQD-UHFFFAOYSA-N 347.396 1.686 0 40 EDAB Cn1cc(C(=O)N2CC[C@@H](C(N)=O)C2)c(-c2coc3ccccc23)n1 54080531 XCOPZSMTIORPIC-LLVKDONJSA-N 338.367 1.781 0 40 EDAB Cn1cc(CN2CC[C@]3(CCC[C@H]3C(=O)N3CC(F)(F)C3)C2)cn1 108532910 CEQCDZXFRURICY-GOEBONIOSA-N 338.402 1.890 0 40 EDAB O=C(OC1CCCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 24024447 ZABCGGHJSYCTPD-NSHDSACASA-N 342.417 1.028 0 40 EDAB O[C@H]1O[C@@H]2CC[C@H]3[C@H]4[C@@H]5[C@@H](O)O[C@H]6CC[C@@H]7[C@H]6[C@H]5[C@H]5[C@H]7[C@H]1[C@@H]([C@H]45)[C@@H]32 104295082 ZXIFWFADSFFGAB-RNGBSKAYSA-N 330.424 1.457 0 40 EDAB C[C@@H](CNC(=O)NC[C@H](c1ccsc1)N(C)C)N1CCOCC1 89900986 RZRODTKCLHWKAK-DZGCQCFKSA-N 340.493 1.371 0 40 EDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N(C)Cc1cnn(C)c1 24475431 KABVKZRTXWXKTG-CQSZACIVSA-N 334.445 1.895 0 40 EDAB C[C@@H]1CN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCO1 24634737 VAUIXOIGHOZBTH-SNVBAGLBSA-N 337.445 1.385 0 40 EDAB O=C1CCCc2cc(S(=O)(=O)NCCc3ccccn3)ccc2N1 55215634 ORQJQPRZMUPGIN-UHFFFAOYSA-N 345.424 1.877 0 40 EDAB CCc1ncncc1C(=O)NCCNC(=O)c1ccc(OC)cc1 55567118 SBWPOEZZRMNNNQ-UHFFFAOYSA-N 328.372 1.207 0 40 EDAB CC(=O)Nc1cccc2c1CCN(C(=O)NCCC(=O)NC(C)C)C2 56833196 LSQYMGYVCHQJHG-UHFFFAOYSA-N 346.431 1.627 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 23643518 CQHOMNPZOKULPG-CYBMUJFWSA-N 342.823 1.854 0 40 EDAB CCCNC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)[C@@H](C)CC 35485347 OFWOJJAXANOARW-JQFCIGGWSA-N 331.460 1.758 0 40 EDAB CN(CCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 26808421 NEMJVDUGCFXYKS-UHFFFAOYSA-N 325.416 1.652 0 40 EDAB C[C@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)Cn1cccn1 58193506 IOJJWMLOMWIUID-GFCCVEGCSA-N 348.838 1.993 0 40 EDAB Cn1c(=O)n(C)c2cc(NC(=O)Cc3ccc4c(c3)CCO4)ccc21 58193125 JFEPKIQFVQHHFQ-UHFFFAOYSA-N 337.379 1.993 0 40 EDAB COc1c(CNCCS(=O)(=O)Cc2ccccc2)c(C)nn1C 58296414 OTQDGFWWBUBYBL-UHFFFAOYSA-N 337.445 1.442 0 40 EDAB Cc1nn(C)c(Oc2ccccc2)c1CN[C@H]1CCS(=O)(=O)C1 58314913 BMHYOYDXACQQDN-ZDUSSCGKSA-N 335.429 1.798 0 40 EDAB Cc1cccc(OCC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c1 58341715 UEBQMAWDOLFIRO-UHFFFAOYSA-N 340.445 1.256 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)nc(C(C)C)n1 48144688 KCDJWTRTIKNAQQ-AWEZNQCLSA-N 345.447 1.083 0 40 EDAB C[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)c1c[nH]c2ccccc12 11005088 DYODDLASOFQWBD-QWRGUYRKSA-N 335.381 1.717 0 40 EDAB O=C(C1CCN(Cn2c(=O)oc3ccccc32)CC1)N1CCCC1 28708886 HEOFFTPNHQXFFC-UHFFFAOYSA-N 329.400 1.886 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(C)cc2)n(C)c1 48364734 YIBVEXCIHQWQDM-UHFFFAOYSA-N 335.429 1.514 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc4ccccc4n3)cnc21 48353527 IZRFUOPYBNEKNK-UHFFFAOYSA-N 334.339 1.317 0 40 EDAB CC[C@@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)O 4081060 ONHYJFDFHCXDJS-LLVKDONJSA-N 333.340 1.637 0 40 EDAB biogenic C[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(N)=O 5218319 YPVLYRBXOAJQFX-JTQLQIEISA-N 329.447 1.222 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 65446508 KLWKGTIGTRNQNI-NWDGAFQWSA-N 327.388 1.827 0 40 EDAB CC(C)[C@H](C)NC(=O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 65554499 FHEOFEYSMULEKY-HOCLYGCPSA-N 338.473 1.619 0 40 EDAB CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NCCC(C)C)c1 65554198 YXIDQOTUVVTPBV-UHFFFAOYSA-N 341.433 1.792 0 40 EDAB CCOc1ccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 65584840 XOUYCAYIPGAJPQ-ZDUSSCGKSA-N 341.433 1.631 0 40 EDAB Cn1c(=O)c2cc(S(=O)(=O)Cc3ccccc3)ccc2n(C)c1=O 4526039 KEBASAYERUDGFL-UHFFFAOYSA-N 344.392 1.211 0 40 EDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 4505402 IUTYFHPZOXRXRA-ZDUSSCGKSA-N 331.459 1.501 0 40 EDAB COc1ccnc(N2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 65609607 JARZVUPUHVWVJK-UHFFFAOYSA-N 344.390 1.906 0 40 EDAB O=C(CN1CCN(C(=O)CCC(=O)c2cccs2)CC1)NC1CC1 14228215 QZUQGZAXXVJOPG-UHFFFAOYSA-N 349.456 1.134 0 40 EDAB O=c1cc(Cn2nnc(-c3ccc(F)cc3)n2)nc2sccn12 5492033 HZCHJOKJGQVIIK-UHFFFAOYSA-N 328.332 1.597 0 40 EDAB Cc1nc2ccccc2n1CCNC(=O)Cn1nnc2ccccc21 14333455 KJLMJMKRQOFUKC-UHFFFAOYSA-N 334.383 1.906 0 40 EDAB Cc1cnc(C(=O)N2CCCN(Cc3ncc(Cl)n3C)CC2)cn1 69668816 VVKHQELKIQFDAA-UHFFFAOYSA-N 348.838 1.520 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCN1C(=O)CCC1=O 69652789 BBWBNSDZKIUPGZ-LBPRGKRZSA-N 338.429 1.232 0 40 EDAB O=C1C[C@H](n2nnn(-c3ccc(F)cc3F)c2=S)[C@H]2CO[C@@H]1O2 6659590 FAQOHIHPQOCNPV-MVWJERBFSA-N 340.311 1.332 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cc(C)sc2C)CC1 69980867 DVTVFUDPXLVJLJ-AWEZNQCLSA-N 326.462 1.520 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 69969522 QVVRWKNGDNPCLF-HKUYNNGSSA-N 346.471 1.648 0 40 EDAB C[C@H](NC(=O)CN[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 69952086 PFJIDZSJWCYMNH-RDJZCZTQSA-N 339.443 1.912 0 40 EDAB Nc1c(C(=O)NCC2CC2)nsc1C(=O)NCc1cccs1 67335010 FEMMXXCKGIEVIS-UHFFFAOYSA-N 336.442 1.857 0 40 EDAB C[C@H](SCc1cccc(F)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 15492625 VAYNWNKWCJYRNV-GWCFXTLKSA-N 331.434 1.751 0 40 EDAB CCSc1cncc(N2CCN(C(=O)c3cnccn3)CC2)n1 68696745 OZHFVFWVOUIMFN-UHFFFAOYSA-N 330.417 1.341 0 40 EDAB CCOC(=O)[C@H]1CCCN(CC(=O)NCc2ccc3c(c2)OCO3)C1 7437090 KALGDZIIHPSTSM-AWEZNQCLSA-N 348.399 1.307 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1 80568417 ZPXSPDIYNGKNRI-MRXNPFEDSA-N 335.423 1.821 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)C3CC3)C2=O)cc1 18415480 UNMWKCGRAYACMI-KPZWWZAWSA-N 329.400 1.677 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)C[C@H]2CCCO2)c1 71185393 GCWCNCNHLRIXDA-CYBMUJFWSA-N 347.458 1.031 0 40 EDAB CC[C@@H](N)c1ccc2c(c1)N(CC(=O)NC1CCCC1)C(=O)CO2 19769833 JMRKQLSANBZBDQ-CQSZACIVSA-N 331.416 1.881 0 40 EDAB CC[C@H](N)c1ccc2c(c1)N(CC(=O)NC1CCCC1)C(=O)CO2 19769834 JMRKQLSANBZBDQ-AWEZNQCLSA-N 331.416 1.881 0 40 EDAB Cc1ncc2c(n1)C1(CCN(Cc3ccoc3)CC1)CN(C)C2=O 306127321 FVJHSURIBOCGHE-UHFFFAOYSA-N 326.400 1.997 0 40 EDAB NC(=O)[C@@H]1CCCCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 97083528 LAHZHELTLOBMNX-AWEZNQCLSA-N 337.786 1.900 0 40 EDAB Cc1ccc([C@@H](CNC(=O)CCCN2C(=O)CNC2=O)N(C)C)cc1 72274768 RTPNLXMMBSDOMX-OAHLLOKOSA-N 346.431 1.046 0 40 EDAB Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@@H]2CCC(=O)N2)cc1 96431932 KHYJHSYYTGIAAH-IRXDYDNUSA-N 330.428 1.824 0 40 EDAB Cn1c(=O)n(CCC(=O)N2CCN3CCCC[C@@H]3C2)c2ccccc21 71839872 JNAWKXYYSWMCRJ-OAHLLOKOSA-N 342.443 1.427 0 40 EDAB Cc1ccc(NC2CCN(C(=O)c3ccc4nncn4c3)CC2)nn1 71863608 MPGJDAJCOZGMRE-UHFFFAOYSA-N 337.387 1.544 0 40 EDAB Cc1csc([C@@H]2CCCCN2C(=O)CN2CCC(=O)NC2=O)n1 72275558 XSYQZLXRALLOSJ-NSHDSACASA-N 336.417 1.447 0 40 EDAB CCn1cc([C@@H]2OCC[C@@H]2CNCc2ccc(C(N)=O)cc2)cn1 83843499 WJGNDZDPWFRWFQ-NVXWUHKLSA-N 328.416 1.869 0 40 EDAB CCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CCN(C)C)cc1 71924118 KNFPSNRMFRBEDX-LBPRGKRZSA-N 327.450 1.654 0 40 EDAB CN(C)S(=O)(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 71916540 CHDJDBAMWUUKCR-UHFFFAOYSA-N 342.446 1.351 0 40 EDAB Cc1nnc([C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCCO3)o1 84291356 QTIZGBWPBRFFJS-VIFPVBQESA-N 339.373 1.579 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ncnc2c1cnn2C 97139578 ZHSWBOLQAQQTCS-LLVKDONJSA-N 345.428 1.964 0 40 EDAB CCN1CCN(C[C@@H](C)CNC(=O)NC2Cc3ccccc3C2)CC1 97140280 LZXGEQNSJCDRNS-INIZCTEOSA-N 344.503 1.727 0 40 EDAB C[C@@H](CCNS(=O)(=O)c1c(F)cccc1Cl)[S@@](C)=O 97147151 IQZASOPKRZYFND-ASCAZGACSA-N 327.830 1.915 0 40 EDAB CCCCCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCO2)CC1 78984379 JJCISFQUVOQOGP-AWEZNQCLSA-N 347.481 1.013 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2Cc3cccc(F)c3O2)C[C@H]1N1CCOCC1 72300401 SMMBJIHSQQOTIS-WQVCFCJDSA-N 334.391 1.308 0 40 EDAB O=S(=O)(N1CCCN2CCC[C@@H]2C1)N1CCC[C@@H]1c1ccco1 84432377 MKGZAEWFPZHSFH-HUUCEWRRSA-N 339.461 1.831 0 40 EDAB CC[C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1N1CCOCC1 84735829 SYWFJEGCUMTCLJ-NVXWUHKLSA-N 334.464 1.230 0 40 EDAB O=C(NC[C@@H]1CCCN1CCc1ccccc1)NCC1(O)CCC1 95409055 LOTOHGHRJVECSV-KRWDZBQOSA-N 331.460 1.908 0 40 EDAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1 95402427 KJMOKQCGDJJBLG-NSHDSACASA-N 343.840 1.432 0 40 EDAB C[C@@H](CNc1nc2ccccc2nc1N1CCOCC1)[S@](C)=O 95449497 DFVUFZCUPKSSBO-DAOPMYJZSA-N 334.445 1.645 0 40 EDAB C[C@H](NC(=O)NCC1(N2CCCCC2)CCN(C)CC1)[C@@H](C)CO 74385669 FROMHAKMAYATTM-HOTGVXAUSA-N 340.512 1.253 0 40 EDAB COCc1nn(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c(=O)o1 89420496 WCDYDPLQNYZNNL-UHFFFAOYSA-N 344.346 1.845 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@@H](C(C)C)n2cncn2)n1 75129880 GSEACWLWMFGHCN-HZPDHXFCSA-N 330.436 1.980 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1CO[C@@H]2CN(Cc3nccs3)C[C@H]12 306125093 CGSPOMXKWIRSDT-GZBFAFLISA-N 346.456 1.358 0 40 EDAB COCCNC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 36705924 ZVKKGESSIPRBFR-UHFFFAOYSA-N 339.436 1.276 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(Cc2c(C(=O)O)oc3ccccc23)C1 516777457 CGXVSHGQHVBVCD-JTQLQIEISA-N 338.385 1.255 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCCN(C(=O)OCc2ccccc2)CC1 79420026 LSDAKEYOMULXEP-INIZCTEOSA-N 333.432 1.841 0 40 EDAB CC(C)OCCN1CCN(S(=O)(=O)Cc2ccccc2F)CC1 72717828 RMPQDBKIVYYMAB-UHFFFAOYSA-N 344.452 1.698 0 40 EDAB COC(=O)c1ccc(NC(=O)Cn2cnc(C(C)C)cc2=O)cc1 36703803 YBRBTNBZCFAMHH-UHFFFAOYSA-N 329.356 1.792 0 40 EDAB C[C@H](NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 70639377 ANMRZDNZTZOIGG-YOEHRIQHSA-N 326.396 1.584 0 40 EDAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3S(C)(=O)=O)n2)n1 72376269 FKIFHHLOXHKKCF-ZDUSSCGKSA-N 348.432 1.724 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](Oc2cnccn2)C1 225797018 JRRQWROHIFVYJQ-CYBMUJFWSA-N 349.412 1.636 0 40 EDAB Cn1cccc1[C@@H]1COCCN1Cc1nc2ccccc2c(=O)n1C 131828789 RZKWLSPJOPCKGQ-KRWDZBQOSA-N 338.411 1.846 0 40 EDAB Cc1cc(CCNC(=O)CCn2cnc3ccccc3c2=O)on1 77122226 ISCOEQDIXAQWBP-UHFFFAOYSA-N 326.356 1.442 0 40 EDAB O=S(=O)(/C=C/c1ccccc1)NCCCc1cnc2ncnn2c1 225646168 DFMHYZBFRNPHNK-CSKARUKUSA-N 343.412 1.647 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)cc1 224273559 NLNPYVASJHPDOX-UHFFFAOYSA-N 334.401 1.422 0 40 EDAB C[C@H]1CN(C(=O)Nc2cnc(N(C)C)nc2)CCN1CC(F)(F)F 96485985 VJUDFRNGRJKOOD-JTQLQIEISA-N 346.357 1.643 0 40 EDAB CCOC(=O)[C@H]1CN(C(=O)c2ccncc2)Cc2ncn(CC)c21 96059384 ZVCMACQBNFDHRZ-ZDUSSCGKSA-N 328.372 1.601 0 40 EDAB O=C1NCCN1C1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 578244737 HKAMPYYSTLNTTP-SFHVURJKSA-N 344.459 1.381 0 40 EDAB Cn1ncc2c(N3CCN(c4ccc(C(=O)O)cn4)CC3)ccnc21 578445481 FDMZNMAIAARGFY-UHFFFAOYSA-N 338.371 1.388 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2 96106117 MHPWDHJTRFGKSE-AWEZNQCLSA-N 326.418 1.291 0 40 EDAB Cn1nccc1CNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 96427128 XTBXQQKQZJIOAB-KRWDZBQOSA-N 328.416 1.327 0 40 EDAB Fc1cnc(N2Cc3cncn3C[C@H](COc3ccccn3)C2)nc1 96208331 BDZWRXFVXDMUKU-CYBMUJFWSA-N 340.362 1.923 0 40 EDAB CS(=O)(=O)N[C@@H]1COCCC12CCN(Cc1cccs1)CC2 96217017 YKLXSWAQGBZCOV-CQSZACIVSA-N 344.502 1.668 0 40 EDAB CCn1nnc(C)c1CNS(=O)(=O)c1cnc2ccsc2c1 583652103 YLIJGVPLYQZVGE-UHFFFAOYSA-N 337.430 1.695 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2CCN2CCCC2=O)cc1 583615514 AWFFZPPMFRALHN-PKOBYXMFSA-N 332.444 1.990 0 40 EDAB CCc1ccc([C@H]2COCCN2C(=O)C(=O)c2c(C)nn(C)c2C)o1 96412277 PGYLEVFSNLFMBK-CQSZACIVSA-N 345.399 1.975 0 40 EDAB O=C([C@@H]1CCC2(CCN(c3ncccn3)CC2)CO1)N1CCCC1 96224933 TYTHZBPHQBKDPD-HNNXBMFYSA-N 330.432 1.865 0 40 EDAB N[C@]1(C(=O)O)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515341 IVQYEAGJOSKWRQ-SQWLQELKSA-N 335.356 1.548 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1cccn1C 257325669 WTYCBNGRRZTVAC-HNNXBMFYSA-N 341.415 1.737 0 40 EDAB CNc1cc(CC[C@@H]2CN(CC(=O)N3CCCCC3)CCO2)ccn1 257259344 KXWIUVRCPNBYPW-QGZVFWFLSA-N 346.475 1.769 0 40 EDAB CCc1nccn1CC(=O)N1CCNC[C@@H]1c1ccccc1OC 257278771 ODPWMSKOFJQVNT-OAHLLOKOSA-N 328.416 1.627 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CCN(C)[C@H](c2ccccc2)C1 257318324 VNKMRJZSZGECAL-HNNXBMFYSA-N 334.445 1.406 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257290109 QBQBDNLJSIBMPI-JTQLQIEISA-N 341.414 1.314 0 40 EDAB O=C(CSC[C@H]1CCCCO1)N1CCS(=O)(=O)C[C@H]1C1CC1 585110564 HLZAZIYVAFMQMY-KGLIPLIRSA-N 347.502 1.324 0 40 EDAB CCn1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)CN(C)C)cn1 585115218 RLPSXQZDWPVMTG-ZFWWWQNUSA-N 328.482 1.644 0 40 EDAB C[C@@H]1CC(=O)N[C@H](C(=O)NCc2ccc(N=c3cc[nH]cc3)cc2)C1 585127574 DMKZDQXCZQBPRQ-GUYCJALGSA-N 338.411 1.778 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cccnc3C)C2)ncn1 257221256 DODXCDNMEKZVDY-GOSISDBHSA-N 341.415 1.250 0 40 EDAB O=C(CCc1ccccc1F)N1CC[C@](O)(CN2CCOCC2)C1 257220872 DMNRUGJRNQVQJH-SFHVURJKSA-N 336.407 1.054 0 40 EDAB CC1(c2nccs2)CCN(S(=O)(=O)N2CCOCC2)CC1 257216618 CVJOPFBRWFNHEF-UHFFFAOYSA-N 331.463 1.074 0 40 EDAB C[C@]1(NC(=O)c2ccc(CS(C)(=O)=O)o2)CCCC[C@@H]1C(=O)O 262726352 GRGYFAWKILCLTM-ABAIWWIYSA-N 343.401 1.588 0 40 EDAB Cc1nn(CCO)cc1CN1CC[C@@](O)(Cc2ccc(F)cc2)C1 1615549447 NFWFCTRFFVKTMS-GOSISDBHSA-N 333.407 1.502 0 40 EDAB COC(=O)[C@@H]1CN(c2cnc3ccccc3n2)C[C@H]1c1cncn1C 1615615832 XYAPVGICFPVXKE-CHWSQXEVSA-N 337.383 1.756 0 40 EDAB O=C(Cn1nc(I)c2ccccc21)NC1CC1 1615615188 LRHICVPFSLNULP-UHFFFAOYSA-N 341.152 1.920 0 40 EDAB Cc1cn(C)nc1CNc1ccccc1C(=O)N1CCC[C@H]1CO 1615616561 UNQMADPJMOARCR-AWEZNQCLSA-N 328.416 1.938 0 40 EDAB FC(F)(F)c1cc(N2CC[C@@H](c3ncccn3)C2)n2ncnc2n1 1616034431 LKEODJMMPVVXHM-SECBINFHSA-N 335.293 1.927 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CC[C@@H](Oc2ncc(F)cn2)C1 390827164 FHJRIUZQFUOSGF-GFCCVEGCSA-N 345.330 1.680 0 40 EDAB COc1ccccc1[C@H](CNC(=O)C(=O)NCc1cccs1)OC 96385128 ONPGIBUYTNSJCF-HNNXBMFYSA-N 348.424 1.877 0 40 EDAB Cc1ccoc1C(=O)N1CCn2cc(CC(=O)N(C)C)nc2[C@@H]1C 585096635 WXSYUFCYIJWGOY-LBPRGKRZSA-N 330.388 1.632 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)Cc2ccc(Cl)cc2Cl)[C@@H]1O 585285219 NIXOBTBHVLSBKN-YVLXSGLVSA-N 348.226 1.674 0 40 EDAB CS(=O)(=O)NCCCNC(=O)c1ccc(-c2ccccc2F)o1 44706565 SHAUUMVTTZABMN-UHFFFAOYSA-N 340.376 1.755 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)N(C)C[C@H]1COc2ccccc2O1 46480229 PPDQQAWGKCGRLF-CABCVRRESA-N 349.431 1.189 0 40 EDAB O=C(CN1CCC(c2nnc(C3CC3)o2)CC1)NC[C@@H]1CCCO1 49377569 JQMVEWVXOIKDDF-AWEZNQCLSA-N 334.420 1.422 0 40 EDAB COCCN(Cc1ccco1)C(=O)NCc1c(C)cc(C)[nH]c1=O 65552660 HCFIMQZUYGRHJG-UHFFFAOYSA-N 333.388 1.943 0 40 EDAB CCOC(=O)[C@H]1CNCC12CC(NC(=O)OCc1ccccc1)C2 91302874 FGKHIIWPOVJCDY-SWKXRBFHSA-N 332.400 1.844 0 40 EDAB CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2c(Cl)cc(C)c(O)c2C)C1 1615587596 NJRIJEGPKRQHAG-QWRGUYRKSA-N 349.836 1.433 0 40 EDAB C[C@H](CS(=O)(=O)N(C)C)NCc1cccc(N2CCCC2=O)c1 1616040703 CGNLXMOMCRRNTB-CYBMUJFWSA-N 339.461 1.183 0 40 EDAB C[C@@H]1Oc2ccc(S(=O)(=O)NCc3ccncc3)cc2NC1=O 12118247 NGAZBECONHERIO-JTQLQIEISA-N 333.369 1.280 0 40 EDAB O=C(Nc1nc(CC(=O)N2CCCCC2)cs1)c1ccc(=O)[nH]c1 12422969 PNAGHOGHUOVBSF-UHFFFAOYSA-N 346.412 1.639 0 40 EDAB NC(=O)c1ccccc1NC(=O)COC(=O)C1(c2ccccc2)CC1 12949384 XFNBVLQNHQDISV-UHFFFAOYSA-N 338.363 1.999 0 40 EDAB CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OCC)cc1 16638829 ZKOHSGKDGSBXGH-UHFFFAOYSA-N 328.434 1.622 0 40 EDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1cc2cc(C)ccc2o1 643551152 KULIWPFXYGSTOV-CPUCHLNUSA-N 333.384 1.572 0 40 EDAB Cc1nc(C2CC2)nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C 1888850048 ZYFTVQVHCOZTPB-HNNXBMFYSA-N 330.432 1.798 0 40 EDAB Cc1nsc(N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)n1 1888854078 LWEQBBXTBJAEPM-AOOOYVTPSA-N 336.396 1.362 0 40 EDAB CSc1nc2c(c(N3CCN(Cc4nc(C)no4)CC3)n1)CCC2 1888860366 NDVCFCDZGJQMLS-UHFFFAOYSA-N 346.460 1.701 0 40 EDAB Cc1ccnc(N2C[C@H]3CN(c4cc(C)nc5ncnn45)C[C@@H]3C2)n1 1888876013 QWOOYFHDIMZNEH-ZIAGYGMSSA-N 336.403 1.104 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@]12CCN(c1cccnc1)C2=O 1614934132 KMFFKJYNKQAHIB-SHDVWELFSA-N 341.411 1.175 0 40 EDAB 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O=c1cccc2n1C[C@H]1C[C@H]2CN(C[C@@H](O)COc2ccccc2)C1 100741981 NBALYZNRIXPTQB-YESZJQIVSA-N 340.423 1.707 0 40 EDAB COc1ccc2c(c1)[nH]c1c(N3CCN(CCO)CC3)ncnc12 20436689 UOUMPQGMMJOINI-UHFFFAOYSA-N 327.388 1.234 0 40 EDAB COc1cccc(C[C@@H](C(=O)NC2CCCC2)n2nnnc2C)c1 40540153 GGWMDYSSHBGIDO-INIZCTEOSA-N 329.404 1.833 0 40 EDAB Cc1nccn1CCCNC(=O)CN1C(=O)[C@H](C)Oc2ccccc21 40555067 JRNRXBKUUZXQCT-ZDUSSCGKSA-N 342.399 1.512 0 40 EDAB NC(=O)c1cc(-c2csc(CCN3CCOC3=O)n2)ccc1O 45816912 LOVJRMHLWKCVEI-UHFFFAOYSA-N 333.369 1.609 0 40 EDAB CNC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCO4 412595 XQJAQWBKPVSIOX-UHFFFAOYSA-N 330.369 1.758 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 29200443 YLOINIQANWGBQE-SECBINFHSA-N 334.800 1.633 0 40 EDAB Cc1cc(C)n(CC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1 17732681 VAKDCHWTDYLGID-LBPRGKRZSA-N 345.355 1.799 0 40 EDAB CCNC(=O)NC(=O)[C@@H](Sc1nnnn1C1CC1)c1ccccc1 8075961 NWQAULVDLHQZGR-LBPRGKRZSA-N 346.416 1.687 0 40 EDAB COCCCNc1c(N2CCN(c3ccccc3)CC2)c(=O)c1=O 101694887 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EDAB O=C(N[C@@H](CNC(=O)[C@@H]1CCOC1)C1CCCCC1)[C@H]1CCOC1 106797318 YCASUSKHTXTWET-PMPSAXMXSA-N 338.448 1.241 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN(Cc3nnsc3Cl)C2)no1 78890984 JESAGAICAKMHKS-VIFPVBQESA-N 328.829 1.589 0 40 EDAB Cc1ccc(-n2[nH]c(C(=O)NCCCn3cc(C)cn3)cc2=O)cc1 78903266 HXDQGDWRISQELM-UHFFFAOYSA-N 339.399 1.799 0 40 EDAB CCOC(=O)CN1C(=O)S[C@@H](CC(=O)Nc2nccs2)C1=O 1796753 KTCLBDJEDRUUIB-ZETCQYMHSA-N 343.386 1.099 0 40 EDAB CCCNC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 57526137 RIPDKLUUESOFKA-UHFFFAOYSA-N 331.416 1.736 0 40 EDAB CCOCCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 3202745 HGWBPFQJWPGKKJ-UHFFFAOYSA-N 340.445 1.628 0 40 EDAB COc1ccccc1OCCN1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 78900511 NBKALRGJXAINHC-ZDUSSCGKSA-N 344.415 1.776 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 44893952 OOBDJLFBMBUVAQ-UWVGGRQHSA-N 328.356 1.211 0 40 EDAB CCc1nc(C(=O)NCCNC(C)=O)nn1-c1ccccc1Cl 58283330 OTIASCSXQNTARX-UHFFFAOYSA-N 335.795 1.349 0 40 EDAB C[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCO1 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CCCN1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 69810728 MGAHHOHLHAVDAE-UHFFFAOYSA-N 342.461 1.810 0 40 EDAB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(N2CCN(C)CC2)cn1 69562141 VYFORBHBSCJHGO-GDBMZVCRSA-N 348.447 1.356 0 40 EDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)[C@@H]1CCCN(c2ncccn2)C1 69586078 SMJQFFXQEQMNKS-BZUAXINKSA-N 329.448 1.436 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)N[C@H]1c2ccccc2C[C@H]1O 69595276 RQDUVWYYQOENJP-ZBFHGGJFSA-N 341.367 1.574 0 40 EDAB O=C(CNC(=O)[C@H]1CSc2ccccc2O1)NCc1ccccc1 69570104 YSRXSWIJCCJKSX-OAHLLOKOSA-N 342.420 1.972 0 40 EDAB COC[C@H](O)CN(C)C(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 65449220 VGNBUSHYSXAHSG-TZMCWYRMSA-N 338.404 1.558 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)c2cccc[n+]2[O-])Oc2ccccc21 65498277 KXYHEVBAXXMBOA-CQSZACIVSA-N 327.384 1.680 0 40 EDAB COC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 65443763 TUJDORVFHDBEBZ-GHMZBOCLSA-N 329.422 1.071 0 40 EDAB COc1ccc([C@H](CNC(=O)N[C@H](C)c2nncn2C)N(C)C)cc1 65454299 NWLPPVHLZAKTEE-DOMZBBRYSA-N 346.435 1.487 0 40 EDAB Cc1ccc(CCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 69536185 JXMXBDCSQLVZHZ-SFHVURJKSA-N 343.471 1.868 0 40 EDAB O=C(C[C@@H]1C=CCC1)NCC(=O)Nc1ccc(-n2cncn2)cc1 69517516 UQFYQFTWHMAQGQ-CYBMUJFWSA-N 325.372 1.678 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1 65535279 QMHRLHDNVNWFNT-DZGCQCFKSA-N 347.396 1.265 0 40 EDAB CC(C)(C)[C@@H](NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)C(N)=O 65591106 GQENBWRIDZUMFX-HNNXBMFYSA-N 344.415 1.181 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CC(=O)Nc1ccc(F)cc1 14186039 HGVNSPUEPFTHAG-SNVBAGLBSA-N 347.398 1.290 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCC2(CC1)NCCc1nc[nH]c12 8973490 JPJHQIMXDXGPMZ-UHFFFAOYSA-N 328.391 1.755 0 40 EDAB COCCN1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 69976566 LTKUYCGXMUQVLI-QUCCMNQESA-N 348.487 1.706 0 40 EDAB CCCc1cc(=O)[nH]c(SCC(=O)NCCCC(=O)OCC)n1 8578864 MAMJIMMIXNLNHY-UHFFFAOYSA-N 341.433 1.274 0 40 EDAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 15301016 MMHSURLHQQUCSE-HNNXBMFYSA-N 332.400 1.454 0 40 EDAB CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@@H]1C2 306129601 IHXBLEAINWFCRN-STQMWFEESA-N 331.445 1.394 0 40 EDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)NC1CCCC1 7477960 UJSHORLACLSNMI-HNNXBMFYSA-N 336.388 1.636 0 40 EDAB COc1ccc(NC(=O)c2nccnc2C(=O)O)cc1C(=O)N(C)C 71288792 JOKQFIMYISMSKZ-UHFFFAOYSA-N 344.327 1.138 0 40 EDAB NC(=O)Cn1cc2c(n1)[C@@H](NC(=O)c1cccc(Cl)c1)CCC2 96002857 SHUDMCMOJOSFKY-ZDUSSCGKSA-N 332.791 1.829 0 40 EDAB C[C@@H]1CN=C(N2CCN([C@@H](C(N)=O)c3ccc(F)cc3)CC2)S1 79496765 AWZYZVVMPTUTSN-BXUZGUMPSA-N 336.436 1.461 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 97080024 BOEINSVBNXHWLS-SNVBAGLBSA-N 346.277 1.234 0 40 EDAB CCc1nn2c(=O)cc(CN3CCC[C@@H]3c3cnn(C)c3)nc2s1 71799323 KGLQURIYWVTMAP-CYBMUJFWSA-N 344.444 1.784 0 40 EDAB O=C(CN1CCN(c2ccccn2)CC1)N[C@@H]1COc2ccccc21 96436259 LBRNFGIGABKXRD-MRXNPFEDSA-N 338.411 1.454 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 71863827 QRYVDURIEWXNFP-LSDHHAIUSA-N 328.416 1.851 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 71881074 VYGPAGLIMXWXND-GDBMZVCRSA-N 338.835 1.559 0 40 EDAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCCN(c2cccnn2)CC1 71860361 JZBIZOBXIPBLHW-CVEARBPZSA-N 348.447 1.490 0 40 EDAB CCN(CC)S(=O)(=O)CCNC(=O)N1Cc2ccccc2C1 71883624 QNQGGMDTKSGUKG-UHFFFAOYSA-N 325.434 1.383 0 40 EDAB COc1cccc(CS(=O)(=O)NCCc2cn3c(n2)CCCC3)c1 71910732 XOCZLQBCPSULAC-UHFFFAOYSA-N 349.456 1.890 0 40 EDAB Cc1ccsc1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 71912175 ZUQUQTHEXJMUSS-UHFFFAOYSA-N 349.460 1.907 0 40 EDAB C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 71903534 NVBLPAQTAUPSEI-SWLSCSKDSA-N 347.415 1.436 0 40 EDAB Cc1noc(COCC(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1 72284687 WLGQTWQZNNCGOL-GFCCVEGCSA-N 349.391 1.807 0 40 EDAB O=C(NCCCN1CCOCC1)c1ccc(CN2CCCC2=O)cc1 60866874 LNSZMGFOEYFZLJ-UHFFFAOYSA-N 345.443 1.261 0 40 EDAB CC(=O)N1CCc2cc(NC(=O)NCCc3ccnn3C)ccc21 97140862 ATIQNWAPJLXYLD-UHFFFAOYSA-N 327.388 1.693 0 40 EDAB COc1cc(CCC(=O)Nc2nccn(C)c2=O)cc(OC)c1OC 72307877 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345.447 1.372 0 40 EDAB O=C(N[C@@H](C(=O)O)C1CC1)c1nc(C2CC2)n(-c2ccccc2)n1 89853291 LZUXDPUMKVRRNT-CYBMUJFWSA-N 326.356 1.738 0 40 EDAB COCCN1C(=O)CO[C@H]2CN(Cc3c[nH]c4ccccc34)C[C@H]21 67897286 KRVZBTMUOYAOGC-SJORKVTESA-N 329.400 1.226 0 40 EDAB biogenic,in-vitro CCCC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccnc1 306131976 KULWVLHJFLXLPJ-OAHLLOKOSA-N 331.416 1.619 0 40 EDAB C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccnc2)CCN1CC(C)(C)O 548059255 RMGIUKLLKYUAQD-CYBMUJFWSA-N 343.431 1.389 0 40 EDAB Cn1nc(Br)c2c(N3CCC[C@@H](CO)C3)ncnc21 60363075 RSNCIQGDRWVHPE-MRVPVSSYSA-N 326.198 1.335 0 40 EDAB Cc1cc(C)c(N2CC[C@H](NC(=O)c3cnsn3)C2=O)c(C)c1 189930500 TTWLJIDEYIHKAL-LBPRGKRZSA-N 330.413 1.999 0 40 EDAB N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 37574307 DBJKBKXFKMKWTO-SECBINFHSA-N 337.214 1.700 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc(NC(C)C)c(C(=O)O)c1 217640135 SXOPXRLQSXHRQW-UHFFFAOYSA-N 344.433 1.910 0 40 EDAB COc1cc2c(cc1OC)CCN(C(=O)[C@H](O)C1CCOCC1)CC2 524797207 MBQKLVGWNSRYET-GOSISDBHSA-N 349.427 1.419 0 40 EDAB Cc1ccn(-c2ccc(N3CCC[C@@H](N4CCCC4=O)C3)nn2)n1 77966335 TTWFUSGWEXFDTK-CQSZACIVSA-N 326.404 1.562 0 40 EDAB Cc1cc(C)n([C@H](C)C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)n1 73118926 HPUQTCOJUDQDBD-ZIAGYGMSSA-N 335.477 1.696 0 40 EDAB Cn1ncc2c(C(=O)Nc3ncnc4c3cnn4C)cc(C3CC3)nc21 36616508 NGTFCPRKCQFBNU-UHFFFAOYSA-N 348.370 1.775 0 40 EDAB C[C@H](NC(=O)C1(O)Cc2ccccc2C1)c1nnnn1-c1ccccc1 74678626 PBVMUKVFDBIPII-ZDUSSCGKSA-N 349.394 1.369 0 40 EDAB CC[C@@H](C)NC(=O)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35314604 MBODVADVPBAKLQ-GFCCVEGCSA-N 342.447 1.744 0 40 EDAB COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)n[nH]c1C 79464687 ZPDWASVARRTMFI-SNVBAGLBSA-N 336.344 1.842 0 40 EDAB CC(=O)N(C)Cc1cncc([C@@H]2CCCN2c2cc(C)nc(N)n2)n1 72387970 VTZZWTIPXLFFBX-HNNXBMFYSA-N 341.419 1.477 0 40 EDAB CCNS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 76997733 QSHPNPWLDJICMX-JKSUJKDBSA-N 338.473 1.969 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)C[C@H]1c1ccccc1 1571190861 MKHYMMUSLKFNOI-AALSBFMBSA-N 330.384 1.816 0 40 EDAB CCn1cnc2c(N3CCN(Cc4c(C)noc4C)CC3)ncnc21 299546341 AXGMPEUONVQGSL-UHFFFAOYSA-N 341.419 1.773 0 40 EDAB CC(C)(F)C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 521396393 UIJFDYAHZKVIMX-UHFFFAOYSA-N 342.436 1.281 0 40 EDAB Cc1nnnn1-c1ccc(F)c(NC(=O)[C@H](C)OC[C@@H]2CCCO2)c1 78666541 LLPNZLSQFNJACH-GWCFXTLKSA-N 349.366 1.632 0 40 EDAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@H](Oc2cnccn2)C1 225797109 LDTHBMBHVMCCRD-USYSOWRXSA-N 331.397 1.930 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CC[C@H](C(=O)O)S2)CC1 225765082 MNBYJVGJABQHKY-GHMZBOCLSA-N 344.433 1.415 0 40 EDAB CCCCNc1cc(N2CCO[C@@H](Cn3cc(C)cn3)C2)nc(N)n1 225540372 NMGLJJMIKIDGAF-CQSZACIVSA-N 345.451 1.681 0 40 EDAB COc1ccccc1N1CCN(c2ccc(C(N)=O)cc2N)CC1 225442273 XIHNLPUAHPCTOK-UHFFFAOYSA-N 326.400 1.703 0 40 EDAB O=C1CCSC[C@@H](C(=O)NCCCn2cnc3ccccc32)N1 226753937 GWVJXXMAWFOHIQ-ZDUSSCGKSA-N 332.429 1.164 0 40 EDAB CNS(=O)(=O)CC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 83601051 BIWOEGCBJORZEL-UHFFFAOYSA-N 339.244 1.894 0 40 EDAB COC(=O)c1ncn(CC(=O)c2ccc(OC)cc2)c1C(=O)OC 98211154 QBXSJFBZEDTXQG-UHFFFAOYSA-N 332.312 1.348 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3Cc2csc(C)n2)[nH]n1 96081320 AMJNHDMKVFPILQ-UONOGXRCSA-N 345.428 1.499 0 40 EDAB Cc1nccc([C@H]2C[C@@H]3CCN(C(=O)c4cnccn4)C[C@H]3O2)n1 96046161 UDPCGLJCXKUXLX-APHBMKBZSA-N 325.372 1.567 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCN(c3nncs3)C2)CC1=O 96239390 IKKYRDSBALYDRJ-OAHLLOKOSA-N 333.417 1.772 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](CC(=O)O)C2)c2c(C)nn(C)c2n1 532875053 GSLHJGFWOJANLD-LBPRGKRZSA-N 330.388 1.912 0 40 EDAB CCO[C@H]1CC[C@H]2[C@H]1OCCN2S(=O)(=O)c1cccc(F)c1 96041984 DGZSCSAJBOPANG-SOUVJXGZSA-N 329.393 1.783 0 40 EDAB O=C(NCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccccc1F 96461615 YGEMFUGEWLDDAM-VZAMPYOESA-N 342.370 1.753 0 40 EDAB O=C(NCc1ccnc(-n2ccnc2)c1)C(=O)Nc1cccc(F)c1 96413562 SJKSRNRKLCAFRU-UHFFFAOYSA-N 339.330 1.661 0 40 EDAB COc1ccc(-c2nn(CC(=O)NCC(C)C)c(=O)cc2OC)cc1 96183161 PMONTZCPRLTHFN-UHFFFAOYSA-N 345.399 1.700 0 40 EDAB Cc1nc(CN2C[C@@]3(CCN(Cc4cnn(C)c4)C3)CC2=O)cs1 96050902 JHGDJCDGRPPKMC-KRWDZBQOSA-N 345.472 1.810 0 40 EDAB O=C(c1cccnc1)N1CCO[C@]2(CCCN(c3ccccn3)C2)C1 96226377 NIMZKOLPGVUMNF-IBGZPJMESA-N 338.411 1.988 0 40 EDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCc1cc(F)cc(F)c1 95396776 BJSLPEKCSKDRIV-SNVBAGLBSA-N 334.388 1.929 0 40 EDAB CS[C@@H](C)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1 95395509 ZBXDAUXVNWVTEZ-LBPRGKRZSA-N 348.472 1.830 0 40 EDAB O=C(C1CCOCC1)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96048427 YXHPJQQZXRBPTJ-MAUKXSAKSA-N 346.431 1.465 0 40 EDAB Cc1cc(NC(=O)c2cc(C(C)C)nc(N3CCOCC3)n2)n(C)n1 96100950 UNDQHZKQOGVGSX-UHFFFAOYSA-N 344.419 1.731 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2cccnc2)Cc2ccnn2C1 96189071 TZYZHGNTOGRLDI-MRXNPFEDSA-N 343.431 1.015 0 40 EDAB CCOc1ccc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)cn1 583615500 LPMRNTDPONYUGS-ZFWWWQNUSA-N 330.388 1.864 0 40 EDAB CO[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)C1 583651831 UFMNWBKVODPQKI-OLZOCXBDSA-N 348.465 1.148 0 40 EDAB Cc1cc(C)nc(NC[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)n1 583603489 IICXVMSMIOEXDT-AWEZNQCLSA-N 342.447 2.103 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2n[nH]c(CC(C)C)n2)n[nH]1 95476933 UUAGOLBPWGHEGC-UHFFFAOYSA-N 342.407 1.996 0 40 EDAB CN(C(=O)c1cnc(C2CC2)nc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257246143 ISRGJFDPEYEQKA-RBSFLKMASA-N 327.388 1.387 0 40 EDAB Cc1nccn1-c1ccnc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 257334880 YHTLCEJRZBTNEZ-CQSZACIVSA-N 349.460 1.562 0 40 EDAB CCN1CCC(N2CCN(C)[C@H](c3cccc(C(=O)NC)c3)C2)CC1 257250437 JMNSJGKEBMCNFK-IBGZPJMESA-N 344.503 1.819 0 40 EDAB CO[C@@H]1COCC[C@@H]1N1CCN(C(=O)/C=C/c2cncc(C)c2)CC1 585088214 PIKMCOHDCOTPHV-UYLIBMQOSA-N 345.443 1.351 0 40 EDAB CN(C(=O)COc1ccccc1F)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257270744 MVMXGQQRJSMVIU-IIDMSEBBSA-N 336.407 1.651 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 257208200 BLCYRLNNPZHGLL-CYBMUJFWSA-N 334.401 1.398 0 40 EDAB C[C@H]1CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 585121124 GMCCDSPQIGZBBA-SWLSCSKDSA-N 349.406 1.448 0 40 EDAB CC(=O)CCc1ccc(OC[C@H](O)COCCc2cnn[nH]2)cc1 585137975 FZAHEWZOPKVZKU-MRXNPFEDSA-N 333.388 1.325 0 40 EDAB Cc1nnsc1CN(C)C(=O)[C@@H]1CN(c2ccc(F)cc2)CCN1 257327932 XDKUIHAUOIZBCS-AWEZNQCLSA-N 349.435 1.422 0 40 EDAB CN(C)c1cc([C@@H]2CCCN(C(=O)Cn3cccnc3=O)C2)ccn1 257245695 IQQSSTUKJQYJBC-OAHLLOKOSA-N 341.415 1.111 0 40 EDAB CN(C)C(=O)c1cnn2c([C@@H]3CCN(c4ccccn4)C3)ccnc12 257331881 XUQZJJIDCAWWQS-CYBMUJFWSA-N 336.399 1.820 0 40 EDAB CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 257275303 NOUCLAFHXSGPOO-LJQANCHMSA-N 342.443 1.996 0 40 EDAB CN(CCNC(=O)N1CCCCO1)S(=O)(=O)c1ccc(F)cc1 252479548 BHJCFBOTFCOMCE-UHFFFAOYSA-N 345.396 1.183 0 40 EDAB O=C(Cc1ccc(F)cc1F)NCCn1ccc(-c2cnccn2)n1 253472601 NVCWBLUYXAVSQP-UHFFFAOYSA-N 343.337 1.977 0 40 EDAB CC(C)(C)c1ncc(NC(=O)N2CCC3(CC2)NC(=O)CO3)cn1 1615588713 GXZDWAVGAMGYHW-UHFFFAOYSA-N 333.392 1.245 0 40 EDAB Cc1cc(=O)n(CCNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1 90592426 MUVNPHXKXUGQND-UHFFFAOYSA-N 345.783 1.323 0 40 EDAB CS(=O)(=O)NCC(=O)NCCn1c2ccccc2c2ccccc21 390833415 HFCDOQUPBAATMM-UHFFFAOYSA-N 345.424 1.460 0 40 EDAB Cc1noc(C)c1C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C 390827703 JHCQJIYZQRIRKF-UHFFFAOYSA-N 336.373 1.675 0 40 EDAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)s1 575414555 WRYUCIGTCGUCQZ-VIFPVBQESA-N 348.819 1.848 0 40 EDAB Cn1nc(C(=O)N2CC(F)(F)C[C@]3(CCNC3=O)C2)c2ccccc21 585093466 YAKDUGKYWYBSTP-MRXNPFEDSA-N 348.353 1.561 0 40 EDAB CNc1cnc(C(=O)N2CC[C@@](O)(COc3ccc(F)cc3)C2)nc1 585276084 JJTOKDGDQMFIHB-KRWDZBQOSA-N 346.362 1.313 0 40 EDAB CNc1cc(C(=O)N2CC[C@](O)(COc3ccccc3C)C2)ccn1 585277434 UOKQAJAVUVEFBB-LJQANCHMSA-N 341.411 2.088 0 40 EDAB CCCCOc1ncccc1CNC(=O)C1(N2CCOCC2)CC1 585141425 ULPBXRYMMIVWNS-UHFFFAOYSA-N 333.432 1.742 0 40 EDAB Cc1nnsc1C(=O)N1CCC(CNC(=O)c2ccco2)CC1 43986340 AFWISHLJXZRGDH-UHFFFAOYSA-N 334.401 1.722 0 40 EDAB Cc1c(C(=O)NC[C@@H]2CN(C)CCO2)cnn1-c1ccc(F)cc1 58330974 UIRCAUPEAXMLLH-OAHLLOKOSA-N 332.379 1.380 0 40 EDAB COc1cc(CNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)ccn1 58393927 HEUKKOAOWMGGID-CQSZACIVSA-N 340.383 1.695 0 40 EDAB CC(C)c1[nH]nc(C(=O)NC[C@H]2CCN(C)C2)c1Br 69157387 ZGGFUIVJPSFDGC-SECBINFHSA-N 329.242 1.977 0 40 EDAB Cc1cc(N2CC3(C[C@H](O)CNC3=O)C2)nc(-c2cccs2)n1 1548522923 GWAVZUWTKWGHPP-NSHDSACASA-N 330.413 1.201 0 40 EDAB CC1CCN(C[C@H](O)CN2CCN(Cc3nccn3C)[C@H](C)C2)CC1 69538496 KWJXVTQENTYXLI-MSOLQXFVSA-N 349.523 1.019 0 40 EDAB NC(=O)CSCC(=O)NCc1cc(F)cc(Br)c1 71821609 QIJQMNYZUSRLRW-UHFFFAOYSA-N 335.198 1.423 0 40 EDAB CCc1cccc(N(C#N)CC(=O)NCC(C)(C)N2CCOCC2)c1 95411498 NUXIIOCHIYPXAG-UHFFFAOYSA-N 344.459 1.763 0 40 EDAB C[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)[C@@H](O)c1ccc(F)cc1 95972112 YUJCVTDLNZLFNH-BDJLRTHQSA-N 341.346 1.653 0 40 EDAB O=C(Nc1nccs1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32092501 WSWDTBFIHPXNFC-JTQLQIEISA-N 329.389 1.436 0 40 EDAB Cc1ccc2c(CC(=O)N3CC(n4cc(CO)nn4)C3)coc2c1C 1615615594 RFTFBLBBTXKAQJ-UHFFFAOYSA-N 340.383 1.759 0 40 EDAB CC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(C)cc2)CC1 11665772 JRPORFLCOJUQJI-UHFFFAOYSA-N 337.387 1.187 0 40 EDAB CCn1cc(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)c(C)n1 12115836 MGWMFDJNKUFMRZ-UHFFFAOYSA-N 325.376 1.364 0 40 EDAB Cc1occc1-c1nn(C2CCN(C(=O)[C@H]3CCCO3)CC2)c(=O)o1 12182917 YSWVYCFFSYSTMF-CQSZACIVSA-N 347.371 1.747 0 40 EDAB COC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 13494508 ATCJCEAMUVLFLX-DETPVDSQSA-N 336.775 1.997 0 40 EDAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccc2c(c1)OCO2 14031755 XQDJBUJCOJLZHZ-NSHDSACASA-N 345.380 1.956 0 40 EDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC2CCCCC2)cc1 16322304 KHPKACWLLVLNNT-LBPRGKRZSA-N 340.445 1.811 0 40 EDAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1 17301773 QLNUDHWSIIJLCG-UHFFFAOYSA-N 348.380 1.634 0 40 EDAB Cc1cc(=O)oc2cc(OC[C@@H](O)CN3C[C@@H](C)O[C@H](C)C3)ccc12 19912337 AGJBSEHSHCYFEH-KFWWJZLASA-N 347.411 1.950 0 40 EDAB CS(=O)(=O)NC1CCN(c2nc(-c3cccnc3)cs2)CC1 206986205 JBHKVLBUEQUPKH-UHFFFAOYSA-N 338.458 1.723 0 40 EDAB CC(=O)Nc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)ccc1F 521394016 HPHSPAICDHREMW-UKRRQHHQSA-N 343.424 1.545 0 40 EDAB CC[C@@H](C)S(=O)(=O)N1CCc2nc(C3CCNCC3)ncc2C1 19500031 UBHOOAVDGDDVCW-GFCCVEGCSA-N 338.477 1.430 0 40 EDAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 6589893 OVBACNKESQLJGT-QGZVFWFLSA-N 341.323 1.393 0 40 EDAB Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccn2)c(C(F)F)n1 1032450030 YNWFGKDARTZFQU-STQMWFEESA-N 347.369 1.852 0 40 EDAB CO[C@H](CNS(=O)(=O)c1cn(C)cn1)c1cc2ccccc2o1 239846369 LCNFSAUHZGMLLJ-CQSZACIVSA-N 335.385 1.832 0 40 EDAB CN1C[C@]2(COCC1=O)CN(Cc1ccc(F)cc1F)CCO2 2037984082 PLCWQNUNJFJLGC-MRXNPFEDSA-N 326.343 1.024 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@H]2NC(=O)c1csc(C)n1 1614936646 BSKAFPVDDYCNFT-LLVKDONJSA-N 332.429 1.957 0 40 EDAB Cc1ncnc(OCC2CCN(S(=O)(=O)C3CC3)CC2)c1C 1565520808 RPGOVQRRPSTBTE-UHFFFAOYSA-N 325.434 1.676 0 40 EDAB O=C(CC1(O)CCC1)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 1565555631 FAWJQAAKLDMIBE-JKSUJKDBSA-N 334.416 1.244 0 40 EDAB Cn1nnc2c(SCC(=O)NCc3ccc(F)cc3)ncnc21 13531862 NGIWIAZRMQMLAP-UHFFFAOYSA-N 332.364 1.306 0 40 EDAB COc1ccc(-c2cc(=O)n(CC(=O)N3CCCCC3)cn2)cc1 13807111 YFROSICYPKBNMC-UHFFFAOYSA-N 327.384 1.931 0 40 EDAB O=C(NC1CCCC1)[C@@H]1CCc2c(C(=O)N3CCCC3)ncn2C1 2055716030 SBIQNMCXCWMHDA-CYBMUJFWSA-N 330.432 1.740 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCc3onc(C(=O)N4CCCC4)c3C2)no1 2055745772 ZJCSCZAVENWPBH-NSHDSACASA-N 344.371 1.494 0 40 EDAB CCc1ccc(C(=O)N2CC[C@@]3(C[C@H]3C(=O)N3CCOCC3)C2)cn1 2055815376 DBLHLTKCGNLMBO-QFBILLFUSA-N 343.427 1.355 0 40 EDAB CNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C)n1 22628512 XZHQSPADVKJELQ-UHFFFAOYSA-N 346.412 1.098 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCCC[C@H](c2ccc(F)cc2)C1 208002304 CHZJHSJBZMUCJF-HNNXBMFYSA-N 342.436 1.972 0 40 EDAB COc1ccc2nc(CN3CCN(CC(=O)NC(C)C)CC3)[nH]c2c1 38670678 MVBJXPSWPZVGIN-UHFFFAOYSA-N 345.447 1.214 0 40 EDAB Cc1cc(=O)n(CC(=O)NCc2nccnc2-c2ccsc2)cn1 575618392 HMCIBPUDIZQWSY-UHFFFAOYSA-N 341.396 1.387 0 40 EDAB O=C(NCc1cn(-c2cccnc2)nn1)c1ccc2nsnc2c1 575618124 INZUOXPPYVRWEE-UHFFFAOYSA-N 337.368 1.597 0 40 EDAB Cc1ccc(=O)n(CC2CCN(c3ccc4nnc(C)n4n3)CC2)n1 585503578 SWBPAVOBJVFGLF-UHFFFAOYSA-N 339.403 1.214 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@@H]1Cn1nccn1 618254952 IFSMMIBHJACDSO-YVARQFDVSA-N 326.356 1.711 0 40 EDAB COCCNC(=O)Cn1c(=O)n(C2=CCCCC2)c2ccccc21 40128066 JATSEPYQXYTOQL-UHFFFAOYSA-N 329.400 1.981 0 40 EDAB CC(=O)N1CCCN(CC(=O)N2CCC[C@@H]2c2cccs2)CC1 40475972 QYRBQBPEQPTJNE-OAHLLOKOSA-N 335.473 1.966 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 40467522 AMHCMIDRVVDUPP-CQSZACIVSA-N 341.477 1.344 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 59743735 OAIREQYOGZXOMJ-CQSZACIVSA-N 342.403 1.607 0 40 EDAB CCCN1CCCN(C(=O)CCn2cnc3ccccc3c2=O)CC1 69780294 JWRULFOQFMQFST-UHFFFAOYSA-N 342.443 1.731 0 40 EDAB Cc1ccc(F)c(NC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)c1 69737078 ICZIDWFHJMFPQQ-UHFFFAOYSA-N 349.406 1.790 0 40 EDAB O=C1CNC(=O)N1c1cccc(NS(=O)(=O)c2cccs2)c1 32598933 YXMSBKHQJNYSKJ-UHFFFAOYSA-N 337.382 1.605 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)c1nc2nccc(C)n2n1 3341013 XXIXPZCADRAOER-UHFFFAOYSA-N 325.328 1.862 0 40 EDAB O=C(COC(=O)c1c(F)cccc1F)NC(=O)NC1CCCC1 3396821 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O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)NCc1ccccc1 12323517 MIKPRRDWPPYNSU-ZDUSSCGKSA-N 333.413 1.023 0 40 EDAB COCCn1cc(C(=O)NCC2(N(C)C)CCCCCC2)ccc1=O 47245448 QYZLQENJNGAVRB-UHFFFAOYSA-N 349.475 1.879 0 40 EDAB CCN(CC)Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)o1 47220857 UTQMZLLMTPTBLW-UHFFFAOYSA-N 343.431 1.874 0 40 EDAB CCC(=O)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556229 AZYCWOHRGYGGPX-UHFFFAOYSA-N 328.372 1.460 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)c(OC)c1 23313062 OTWFYBJCWCFRAB-OAHLLOKOSA-N 345.399 1.976 0 40 EDAB CC[C@H](CO)NC(=O)N[C@@H](c1ccc(OC)cc1)c1nccn1C 47601159 AXLNPUMCAYAVHR-HIFRSBDPSA-N 332.404 1.588 0 40 EDAB O=S(=O)(/C=C/c1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 47700035 JEQDBCCZJDESTB-BNXPMYBGSA-N 336.457 1.641 0 40 EDAB COC(=O)C[C@@H](NC(=O)CCN1CCSC1=O)c1ccccc1 24500021 WTJIDHPGURQQKC-CYBMUJFWSA-N 336.413 1.966 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cn2ccccc2n1 55210111 SJRVBPHVYFXWLL-ZDUSSCGKSA-N 341.392 1.983 0 40 EDAB Cc1cc(C)n2ncc(C(=O)Nc3ccc(-n4cncn4)nc3)c2n1 24894870 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CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 20493102 XDHIGZBGWMVMNJ-NSHDSACASA-N 326.418 1.899 0 40 EDAB CCOc1ccc(Cc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1 27579387 XEISSHWENVISNO-UHFFFAOYSA-N 329.400 1.904 0 40 EDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ncc(Cl)cc2Cl)n1 16680221 DDZJRHRAWLSSPO-UHFFFAOYSA-N 346.199 1.785 0 40 EDAB C[C@H](C(=O)NC[C@@H](c1cccs1)N1CCOCC1)n1cncn1 44576562 LZLIBISCANVLTC-OLZOCXBDSA-N 335.433 1.090 0 40 EDAB CC1CCN(c2ccc(=O)n(CC(=O)NCc3cccnc3)n2)CC1 61720146 ZPSGOSCWCRTQQO-UHFFFAOYSA-N 341.415 1.191 0 40 EDAB CCNC(=O)c1cccc(NC(=O)Cn2nnnc2C2CCCC2)c1 58130285 PWCZOHPPGQUXAP-UHFFFAOYSA-N 342.403 1.719 0 40 EDAB Cc1cc(NC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)no1 44891815 OJVHRKGWZXIYCB-UHFFFAOYSA-N 340.387 1.980 0 40 EDAB COc1ncccc1CNC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1 58218510 KRFQYHLRLVLTNM-FMKPAKJESA-N 335.448 1.840 0 40 EDAB CCC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C 44954013 ULPXLYXGFLWWJD-OAHLLOKOSA-N 346.475 1.990 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H](C)S(C)(=O)=O)cc2)n1 44952438 DRYWLIZQMFEJQN-AWEZNQCLSA-N 349.456 1.581 0 40 EDAB Cc1ccccc1OCC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 58357294 ZMQBEYFNHXDJKJ-MRXNPFEDSA-N 345.443 1.315 0 40 EDAB COc1cccc(-c2nnn(C[C@H](O)COc3ccc(F)cc3)n2)c1 12761747 ADIGZHVTZHSWCX-AWEZNQCLSA-N 344.346 1.928 0 40 EDAB Cc1ccc([C@@H](CNc2ccc3nncn3n2)N2CCOCC2)o1 48345647 UVILOEVPVQAMEL-CYBMUJFWSA-N 328.376 1.511 0 40 EDAB Cc1nnc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)o1 12982627 GFKLWRNGEINCRI-UHFFFAOYSA-N 342.446 1.382 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(=O)[nH]c2ccccc12 64334132 VXDQTZUYRFRBKT-STQMWFEESA-N 327.384 1.121 0 40 EDAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(=O)[nH]c1 18046810 RERKCZSMRPYMJQ-MRXNPFEDSA-N 345.374 1.317 0 40 EDAB NS(=O)(=O)c1cc(C(=O)Nc2ccn(-c3ccccc3)n2)cs1 69433148 XGTZXFYGCQFDTE-UHFFFAOYSA-N 348.409 1.834 0 40 EDAB Cn1ccc2ccn(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)c21 65220102 UZBSGWQDCJMNFU-UHFFFAOYSA-N 339.351 1.385 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1cc(Cl)ccc1-n1cnnn1 65493304 YBWMVKMOMNGMQO-LLVKDONJSA-N 343.778 1.257 0 40 EDAB CCOCCN(CC(=O)NCc1ccco1)C[C@H](C)C(=O)OC 65533624 BAVLWUKJGYTLAW-ZDUSSCGKSA-N 326.393 1.043 0 40 EDAB Cc1cccc(OC[C@H](O)CNCc2c(C)nn(C)c2N(C)C)c1 65512127 IYZGPBWIVDKLNM-OAHLLOKOSA-N 332.448 1.632 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1cc(F)cc(F)c1 65513639 HZFNOFOWESQMPZ-UHFFFAOYSA-N 346.337 1.777 0 40 EDAB COC(=O)c1ccc(CN(CCNC(=O)C2CC2)C(=O)C2CC2)cc1 65606482 BGHQMYZMIKDIFZ-UHFFFAOYSA-N 344.411 1.738 0 40 EDAB COc1cccc(CN2C(=O)CC[C@H](C(=O)O)[C@@H]2c2cnn(C)c2)c1 69815442 VVFKNCXMEHEDPU-RDJZCZTQSA-N 343.383 1.993 0 40 EDAB COCCCNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6756445 LIBOVHBGAKTXLM-UHFFFAOYSA-N 341.433 1.856 0 40 EDAB CCOC(=O)C(O)(CC(=O)c1ccc(Cl)cc1)C(=O)OCC 5795819 BGJZWHBQVHWIKQ-UHFFFAOYSA-N 328.748 1.770 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 8778440 KXMZLJJTWPNILS-PDPDEEBBSA-N 345.443 1.792 0 40 EDAB CCCNC(=O)NC(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O 6851300 OUOQJYBSWSEVDA-QGZVFWFLSA-N 346.387 1.080 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCCCC1 8708856 JUDOENIVPBWBIK-UHFFFAOYSA-N 339.461 1.670 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 6970678 QVUMRTIHUMZCAU-UHFFFAOYSA-N 325.368 1.540 0 40 EDAB NC(=O)CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1 7441392 JIRPCBRVGHEABH-UHFFFAOYSA-N 347.421 1.977 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)CN(CCO)Cc2ccccc2)C1 70927024 ZTCHMSUDSZPBDC-KRWDZBQOSA-N 348.443 1.283 0 40 EDAB Cc1nc(C)c(CCNC(=O)N2CCN(c3cnn(C)c3)CC2)s1 80675581 TVVWWVBNPQVRLZ-UHFFFAOYSA-N 348.476 1.568 0 40 EDAB CCNC(=O)NC(=O)CN1CCN(c2cccc(OC)c2)[C@H](C)C1 89977472 SYZCQPXFHKZCSK-CYBMUJFWSA-N 334.420 1.051 0 40 EDAB CC(C)Cn1cc(C(=O)N(C)[C@@H]2CCC[C@H]2S(C)(=O)=O)cn1 96005764 PEMIIVADNWGVNK-ZIAGYGMSSA-N 327.450 1.577 0 40 EDAB CCCS(=O)(=O)N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1 96000677 APMUXGKHEHAGRX-CQSZACIVSA-N 334.445 1.513 0 40 EDAB CC[C@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 19796974 HLLOUPGWARTUEV-QEJZJMRPSA-N 345.486 1.322 0 40 EDAB CN1CCN(CCCSc2ccccc2S(C)(=O)=O)CC1 97098643 VDHUWZWLPCHFMA-UHFFFAOYSA-N 328.503 1.820 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)CCO2)n1 72299535 CYWLDMSBNPTHQX-KBPBESRZSA-N 348.790 1.670 0 40 EDAB CN(CC(=O)N1CCc2ccccc2C1)CC1CCN(CCO)CC1 71871545 GJTXZTAJVWQQEC-UHFFFAOYSA-N 345.487 1.207 0 40 EDAB Cc1ccc(-c2nc(C(=O)N3CCCN(CC(N)=O)CC3)cs2)o1 71829299 YFNYZSYMNRLURV-UHFFFAOYSA-N 348.428 1.345 0 40 EDAB NS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 71897885 GZFKPRJRWUFAEV-IUCAKERBSA-N 337.228 1.502 0 40 EDAB CC1(C)CN(C(=O)Cn2cc(Br)ccc2=O)CCO1 71843088 WFEPQPNHZDBZAD-UHFFFAOYSA-N 329.194 1.248 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCCOC 71920102 VLMIOTPFUIRYIY-UHFFFAOYSA-N 345.421 1.104 0 40 EDAB CC[C@H](C(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccc(F)cc1 97141666 CAJKORJWSHWEMX-ZDUSSCGKSA-N 333.367 1.638 0 40 EDAB C[C@@]1([C@H]2CCCN(CCc3ccc4c(c3)CCO4)C2)NC(=O)NC1=O 72300748 KBKRTYPCZKXRLV-KXBFYZLASA-N 343.427 1.474 0 40 EDAB CCCc1n[nH]c([C@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)n1 76049390 AWHGKPOQKXSEKO-GFCCVEGCSA-N 331.424 1.337 0 40 EDAB O=C(c1ccco1)N1CCN(Cc2nc3ccccc3[nH]c2=O)CC1 97201026 FZFLVSGIGRSOIQ-UHFFFAOYSA-N 338.367 1.474 0 40 EDAB CCOC(=O)c1cc(C)sc1NC(=O)c1nccnc1C(=O)O 72400497 JRLXBSSJMOPZCO-UHFFFAOYSA-N 335.341 1.974 0 40 EDAB O=C(CN1CCN(C(=O)c2sccc2C2CC2)CC1)NC1CC1 84618170 YOQATDUYSIFDQH-UHFFFAOYSA-N 333.457 1.662 0 40 EDAB CC[C@H]1CN(C(=O)c2cc(C(C)(C)C)nn2C)C[C@@H]1N1CCOCC1 84736027 JUBBPSOSNFOZTD-HOCLYGCPSA-N 348.491 1.900 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N[C@H]2CCO[C@@H](C)C2)c1C 95455540 XCNZIWADHVSBGT-JQWIXIFHSA-N 327.402 1.627 0 40 EDAB O=C1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)[C@@H]2CCCC[C@H]2N1 95412484 VKEATLMFADHIQA-UKRRQHHQSA-N 343.362 1.290 0 40 EDAB CCOc1ccccc1-c1cc(C(=O)N2CCN(CCO)CC2)n[nH]1 78517934 ZXFXAQGQIWEYFS-UHFFFAOYSA-N 344.415 1.226 0 40 EDAB Cc1nsc(N2CCCN(c3nnnn3-c3ccccc3)CC2)n1 78557851 ADUATNCPGDANRH-UHFFFAOYSA-N 342.432 1.539 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 78890045 BDAMCJPXQDMSEJ-CYBMUJFWSA-N 332.408 1.334 0 40 EDAB CN(Cc1cccnc1)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 95999837 LUFZTPBLVJPFBQ-UHFFFAOYSA-N 345.424 1.368 0 40 EDAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCC(=O)N1CCCC1 95944623 NTIMAABMOHTWKW-LBPRGKRZSA-N 335.452 1.929 0 40 EDAB Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)CN1CCOCC1 95943915 GFBNUUGGPUFGJN-QGZVFWFLSA-N 343.427 1.969 0 40 EDAB C[C@@H](O)CC(C)(C)CNC(=O)NCc1cccc(-n2cncn2)c1 78942195 CJIVTGBLBDBQRC-CYBMUJFWSA-N 331.420 1.864 0 40 EDAB Cc1cc(C(=O)CN2CCN(C(=O)c3ccc(O)cc3)CC2)c(C)[nH]1 85785608 WRHVWMWHOBYBGQ-UHFFFAOYSA-N 341.411 1.978 0 40 EDAB C[C@@H](OC(=O)c1ccnc(Cl)c1N)C(=O)NCC(F)(F)F 89478476 CSIGVAWBLMOGDO-RXMQYKEDSA-N 325.674 1.541 0 40 EDAB Cc1nnc(CN(C)[C@@H]2CCN(C[C@H](O)c3ccccc3)C2)n1C 89735967 YLMWPFOZPYBTRZ-SJORKVTESA-N 329.448 1.363 0 40 EDAB COCCN1CC[C@]2(CN(C(C)=O)C[C@H]2c2cn(C(C)C)cn2)C1=O 306130595 JKRXPJDGGGXYGP-MAUKXSAKSA-N 348.447 1.275 0 40 EDAB O=C(c1c[nH]c2ccccc2c1=O)N1CCS(=O)(=O)C[C@H]1C1CC1 1548452877 RBSIZPXPRPSXLU-HNNXBMFYSA-N 346.408 1.177 0 40 EDAB C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCN(Cc2ccncc2)CC1 70782981 ISUAVGNOMIWJIY-NVXWUHKLSA-N 333.432 1.310 0 40 EDAB CCc1nc(CN2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)no1 78778053 PDVBNPBQUNVVOG-HNNXBMFYSA-N 342.399 1.280 0 40 EDAB CCC(=O)N1CC[C@H](N[C@@H](CN2CCOCC2)c2ccccc2C)C1 183725185 JDNKRTVSOIPLNQ-HKUYNNGSSA-N 345.487 1.969 0 40 EDAB CCN(CC)CC(=O)N1CCN(C(=O)c2cc3ccccn3c2)CC1 73385050 WTNSTGNXSIBYPJ-UHFFFAOYSA-N 342.443 1.566 0 40 EDAB CCc1cc(=O)n(CCNS(=O)(=O)c2ccccc2Cl)cn1 75166384 CBHJZAZNHIKHDE-UHFFFAOYSA-N 341.820 1.438 0 40 EDAB CC(C)[C@H](C(=O)N1CCC(NC(=O)c2ccncc2)CC1)N(C)C 78611413 ANEGXSQCBHQZOY-MRXNPFEDSA-N 332.448 1.389 0 40 EDAB Cc1csc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)n1 72238006 ZJJNIUMQGVOCBE-KBPBESRZSA-N 331.397 1.989 0 40 EDAB Cc1c(F)cccc1-n1nnc(C(=O)N2CCC(C(N)=O)CC2)c1C 67283414 HFIBQYICBALJMU-UHFFFAOYSA-N 345.378 1.361 0 40 EDAB CN(c1nncs1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 184974198 AXZZYAICCACYQU-UHFFFAOYSA-N 338.414 1.638 0 40 EDAB Cn1ccc(CNC(=O)Cn2cc(COc3ccccc3F)nn2)n1 227168100 TYIKQSZKXDOKPP-UHFFFAOYSA-N 344.350 1.046 0 40 EDAB CCOc1ccc(NC(=O)[C@]2(C)CCCN(C)S2(=O)=O)cc1 225952757 HAHFDHWRVKBYTF-HNNXBMFYSA-N 326.418 1.838 0 40 EDAB O=S(=O)(Cc1ccc(F)cc1)N1CC[C@H](Oc2cccnn2)C1 225419587 OUMVSDXPLGIBBL-AWEZNQCLSA-N 337.376 1.599 0 40 EDAB NC(=O)C1(NCc2ccc(S(=O)(=O)C(F)F)cc2)CCCCC1 88544571 PPDFGCWLPIBCHV-UHFFFAOYSA-N 346.399 1.961 0 40 EDAB CN1C(=O)C[C@H](CNC(=O)CCn2cccn2)[C@H]1c1ccccc1 96500311 PKEDQVIHGKCQTK-CRAIPNDOSA-N 326.400 1.609 0 40 EDAB O=C(c1cccnc1)N1CCC2(CCN(S(=O)(=O)C3CC3)CC2)C1 96046586 LROGJOSONVWXEI-UHFFFAOYSA-N 349.456 1.502 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2CC3)CC1 333830442 JHCSVXPNLAGDFU-IHRRRGAJSA-N 341.477 1.312 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccoc2)C1 96057716 RNRUQTMWJVTPRP-NUEKZKHPSA-N 344.367 1.809 0 40 EDAB O=S1(=O)Cc2ccc(Cl)cc2N1Cc1nnc2n1CCOC2 333264776 MPDLREAYCOQLEQ-UHFFFAOYSA-N 340.792 1.312 0 40 EDAB O=C1NC2(CCN(C(=O)c3ccncc3)CC2)C[C@@H]1c1cccnc1 96061391 YHCOMIGEARLGOK-MRXNPFEDSA-N 336.395 1.755 0 40 EDAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(c2nccn2C)CC1 96436911 LTJDFNWPOAAUCT-ZDUSSCGKSA-N 332.379 1.675 0 40 EDAB CS(=O)(=O)NCCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 96404795 GXQKXLHGFJMBSO-HOTGVXAUSA-N 332.425 1.609 0 40 EDAB C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc[nH]c1=O 96407625 DHCRZMSXTYIILK-BBRMVZONSA-N 326.400 1.410 0 40 EDAB Cc1cccc(CN2C[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]3C2=O)c1 96080741 CLQFNFXLFCOXLI-CVEARBPZSA-N 336.395 1.516 0 40 EDAB c1cnc(N2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)nc1 96202213 JYTCMASHKYFORD-INIZCTEOSA-N 331.445 1.662 0 40 EDAB Cc1noc([C@H](C)NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 96420514 ZYZINEJXKSDPBK-SWLSCSKDSA-N 330.388 1.456 0 40 EDAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 97103204 IKKRSSPJORZFHD-LJISPDSOSA-N 347.463 1.293 0 40 EDAB CN(C)C(=O)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247958039 DKZFFYHBFRJNHX-OAHLLOKOSA-N 342.399 1.647 0 40 EDAB Cc1csc(CN2Cc3ccnn3[C@H](C(=O)N3CCCCO3)C2)n1 247926786 BCFLOPJAWWYHKG-AWEZNQCLSA-N 347.444 1.759 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCOC[C@H]2c2[nH]ncc2C)c1C 257339146 ZAJKFVIJMCPLHE-LBPRGKRZSA-N 339.421 1.005 0 40 EDAB Cc1c(CN2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)cnn1C 257319127 VQWYQVYQBVGQDF-HYVNUMGLSA-N 326.448 1.865 0 40 EDAB Cn1cnc(C(=O)N2CCC(c3cc(O)n4nccc4n3)CC2)c1 257258219 KSWFHKRAYUZQQO-UHFFFAOYSA-N 326.360 1.188 0 40 EDAB COC(=O)c1cnc(NC[C@@H](c2cccs2)N2CCCC2)cn1 585092534 CULKRNIAYKWIMD-ZDUSSCGKSA-N 332.429 2.574 0 40 EDAB O=C(NO[C@H]1CCCCO1)c1cccc(S(=O)(=O)C(F)F)c1 585087394 RKENKJNREYITKR-NSHDSACASA-N 335.328 1.871 0 40 EDAB Cc1cc(C[C@H]2COCCN(C(=O)Cc3cccnc3)C2)ncn1 257266150 MBUFRGOGGCZJNW-MRXNPFEDSA-N 326.400 1.440 0 40 EDAB O=C(NCc1ccc(N=c2cc[nH]cc2)cc1)N1CCO[C@H](CO)C1 585137322 SGDMGMGNZVXKGN-KRWDZBQOSA-N 342.399 1.150 0 40 EDAB O=S(=O)(c1ccc(NC[C@H]2CCC=CO2)cc1)N1CCOCC1 585118312 KCTLFSFXLLVOND-OAHLLOKOSA-N 338.429 1.812 0 40 EDAB Nc1nnc(CCNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)o1 585120002 FSTMDHNJRXRXOD-UHFFFAOYSA-N 345.359 2.058 0 40 EDAB CCOc1c(Cl)cc(/C=C/C(=O)NS(C)(=O)=O)cc1OC 42280650 YEULXYQWPYAULM-AATRIKPKSA-N 333.793 1.836 0 40 EDAB CCc1noc(C)c1C(=O)N(C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257272272 NBSMXIDBPXFGHT-BFYDXBDKSA-N 345.399 1.983 0 40 EDAB O=C(O)c1cccc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)n1 262855399 UPMYQZHFJGJMIL-ZDUSSCGKSA-N 345.399 1.691 0 40 EDAB CO[C@H]1CN[C@@H](C(=O)NC2CCN(Cc3cccc(C)c3)CC2)C1 1615572178 WTKGOOJXZHRUEG-QZTJIDSGSA-N 331.460 1.453 0 40 EDAB Cc1nc(C)n2c(=O)n(CC(=O)NCc3ccc(F)cc3)nc2c1C 90610072 AELJYCSMSRGFGI-UHFFFAOYSA-N 343.362 1.272 0 40 EDAB O=C(NCCn1ncnn1)Nc1ccc(-n2ncc3ccccc32)cc1 390833608 KCXMSZLSWJPBCE-UHFFFAOYSA-N 348.370 1.834 0 40 EDAB CSCC(=O)N1CC2(CC[C@H](CN(C)Cc3cccnc3)CO2)C1 575403799 JUMACAVJGAPISV-MRXNPFEDSA-N 349.500 1.884 0 40 EDAB O=C(c1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(Cn2ccnc2)C1 585284044 FAPIEQATMWDXEY-ZBFHGGJFSA-N 335.791 1.175 0 40 EDAB O[C@H]1CCN(C2CCOCC2)C[C@]1(O)COc1cc(F)ccc1F 585284370 XJAWDMUTRRGOIK-IRXDYDNUSA-N 343.370 1.320 0 40 EDAB Cc1ccc(-c2nsc(NC(=O)c3cn(CCN)nn3)n2)s1 662546488 KCOJZEFLOZVBQM-UHFFFAOYSA-N 335.418 1.378 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)Cc2ccccc2F)Cc2cccn2C1 585099121 NMQPLVSXGGTKSD-AWEZNQCLSA-N 343.402 1.964 0 40 EDAB Cc1occc1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 48169617 SIBFMLKXFKTWRC-UHFFFAOYSA-N 341.411 1.662 0 40 EDAB CCOC(=O)CN(CCOC)CC(=O)NCC1(c2ccccc2)CC1 58405631 KFXJMAIMPCKRDL-UHFFFAOYSA-N 348.443 1.346 0 40 EDAB CCOC(=O)CN(CC1CC1)C(=O)CN(C)C(=O)c1cccs1 58368115 GLIWISVHIGEWEZ-UHFFFAOYSA-N 338.429 1.622 0 40 EDAB COc1c(CNC[C@@H](c2ccccc2)N2CCOCC2)c(C)nn1C 69347265 NLLZTFYVYYCQQP-SFHVURJKSA-N 344.459 1.900 0 40 EDAB CCOC(=O)c1cnn(C)c1NC(=O)CSc1nc(C)c(C)o1 69419150 PHEOBJHAVPKPEB-UHFFFAOYSA-N 338.389 1.932 0 40 EDAB CNC(=O)CCOc1ccc(NC(=O)N(C)Cc2cnn(C)c2)cc1 71857144 QFVXIDQWMUHMEB-UHFFFAOYSA-N 345.403 1.599 0 40 EDAB CC[C@@H](C)NC(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 69974370 LRYVNOHDSJFYQR-OAHLLOKOSA-N 338.496 1.809 0 40 EDAB O=C(NCCOCC1CC1)c1cc(I)c[nH]1 75613168 WVOAWMIIWRGQIN-UHFFFAOYSA-N 334.157 1.776 0 40 EDAB COc1ccc(CN2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)c(OC)c1 100018587 WNWZAJDOAPWELA-PXMRGAAZSA-N 345.351 1.070 0 40 EDAB COC(=O)C[C@@H](C)S(=O)(=O)N[C@@H](Cc1ccccc1)C1CC1 1615612846 CCCXHTLJMIZWQT-DOMZBBRYSA-N 325.430 1.879 0 40 EDAB O=C([C@H]1CCCN(c2ncnc3sccc23)C1)N1CCOCC1 12813916 BQMXHJZKBNXOCZ-LBPRGKRZSA-N 332.429 1.767 0 40 EDAB O=C(CN1C(=O)CNC1=O)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19373816 KFPXEJQNGZMIJG-DACLVMHWSA-N 341.411 1.627 0 40 EDAB O=C(C1CC1)N1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 19375619 LNLIVPNMGSATGD-LBPRGKRZSA-N 333.413 1.848 0 40 EDAB Cc1cc(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)c(C)n1C[C@@H]1CCCO1 19567488 IZBVKXPGWYFINJ-XLNTUCKNSA-N 347.503 1.923 0 40 EDAB Cc1cc(C)n(CCCN(C)S(=O)(=O)c2c(C)n[nH]c2C)n1 19719814 CJQZKHKFKQCZOT-UHFFFAOYSA-N 325.438 1.551 0 40 EDAB CN(C)c1nccc(CNS(=O)(=O)c2cccc(Cl)c2)n1 207981544 YBXLACDNKDSPJL-UHFFFAOYSA-N 326.809 1.675 0 40 EDAB CCCCCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C 2267699 FPGWOBIPYBLTAH-UHFFFAOYSA-N 333.436 1.994 0 40 EDAB Cc1ccc(O[C@@H]2CCN(S(=O)(=O)C3CCCCC3)C2)nn1 225432009 IFGJRKYSARQZEC-CYBMUJFWSA-N 325.434 1.901 0 40 EDAB CCc1c(C)nc(C)nc1N1CCN(c2nc(COC)ns2)CC1 1888860014 OGECHTGWVMQXOW-UHFFFAOYSA-N 348.476 1.980 0 40 EDAB CSc1nc(C)c(C)c(N2CCN(Cc3nc(C)no3)CC2)n1 1888860344 DGWRWCOKMSFGFN-UHFFFAOYSA-N 334.449 1.829 0 40 EDAB Cc1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)ncc1F 1888870086 NMXVPQMHEXQEOD-UHFFFAOYSA-N 330.363 1.691 0 40 EDAB CC(=O)N1c2ccc(S(=O)(=O)NCc3ccnn3C)cc2C[C@H]1C 26823128 LHSIMJCQDOKOJG-LLVKDONJSA-N 348.428 1.196 0 40 EDAB CN(Cc1nccn1C)S(=O)(=O)CCn1cnc2ccccc21 32848010 ZUNTZHNQWZMLJL-UHFFFAOYSA-N 333.417 1.232 0 40 EDAB CN1c2ccccc2N(CCNC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)S1(=O)=O 245053656 PFFHZARYDKYIHT-IHRRRGAJSA-N 347.440 1.516 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@@](O)(COc2ccc(C)c(C)c2)C1 2037912903 CBYZOCYRNOIVIJ-SFHVURJKSA-N 334.416 1.172 0 40 EDAB CCOc1ccc(CN2CCO[C@]3(COCC(=O)N(C)C3)C2)cc1 2037984289 WJVMCJCZZZYNQP-SFHVURJKSA-N 334.416 1.145 0 40 EDAB CC(C)OC[C@@]12CCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1565541711 NVWJGZGWIBEOKJ-ZBFHGGJFSA-N 347.477 1.244 0 40 EDAB Cc1cc(-c2nnc(NC(=O)Cc3ccc4c(c3)OCO4)o2)n(C)n1 13615027 RIEOBVIODDCEKQ-UHFFFAOYSA-N 341.327 1.688 0 40 EDAB CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907359 KAVHOLZHZRZDQK-OAHLLOKOSA-N 327.384 1.241 0 40 EDAB O=C1CC[C@@H](N2Cc3c(F)ccc(Br)c3C2=O)C(=O)N1 1988184996 SJGFMNDUPKERCJ-SECBINFHSA-N 341.136 1.349 0 40 EDAB CSc1ncc(C)c(N2CCN([C@H]3CCN(C(C)C)C3=O)CC2)n1 2086856602 DBPHXWPRERSNRM-AWEZNQCLSA-N 349.504 1.638 0 40 EDAB CC(C)OC[C@H]1C[C@@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 35325972 RINBPLHLCMFXFO-TURNYIBQSA-N 340.401 1.614 0 40 EDAB CNC(=O)CSc1nc2c(cnn2Cc2ccc(F)cc2)c(=O)[nH]1 35586233 BSQZZEVFQVUUKA-UHFFFAOYSA-N 347.375 1.145 0 40 EDAB O=C(NCCn1ccnc1-c1cnccn1)NCc1ccc(F)cc1 575610254 VANWBXFRRWPCPL-UHFFFAOYSA-N 340.362 1.979 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1c[nH]c2ccccc12 225797153 CZVWWAYDSUJOSN-UHFFFAOYSA-N 333.351 1.703 0 40 EDAB O=C([C@H]1CCCN(Cc2nc3c(s2)CCC3)C1)N1CCOCC1 678811911 IOSFPGQFCDDLPC-ZDUSSCGKSA-N 335.473 1.703 0 40 EDAB O=C1c2ccccc2C(=O)N1CCn1nc(-c2ccco2)ccc1=O 38790771 HVOMWYLJKTXVCN-UHFFFAOYSA-N 335.319 1.800 0 40 EDAB CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2c(O)cccc2C1=O 118449915 YRMAQBVKAYGTHY-LBPRGKRZSA-N 334.372 1.324 0 40 EDAB CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C)N1Cc1ccccn1 73575 RKPWNSZWDZOSHL-UHFFFAOYSA-N 340.408 1.532 0 40 EDAB COc1ccccc1NC(=O)Cn1c(=O)nc(N)c2cc(C)sc21 40283315 CUIBJFUXERPBFQ-UHFFFAOYSA-N 344.396 1.996 0 40 EDAB Cc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)c(C)c1 146079 BVPCCYKRUIPGFV-UHFFFAOYSA-N 333.417 1.230 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NC2CCC(C)CC2)no1 40528904 HFSYGHMENHNHCX-YXMLORGKSA-N 328.434 1.981 0 40 EDAB COCCOc1ccc(CNC(=O)[C@H]2COc3ccccc3C2)cn1 40541137 AWTFXDJFSBUVBK-MRXNPFEDSA-N 342.395 1.974 0 40 EDAB O=c1[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(=O)[nH]1 20759724 IEIZHXLAKLAQFM-LBPRGKRZSA-N 332.747 1.139 0 40 EDAB biogenic CC1=C(C(N)=O)[C@@H](c2cccnc2)N2NC(c3cccs3)=NC2=N1 73489 CQQCEWLIFONHRW-CYBMUJFWSA-N 338.396 1.580 0 40 EDAB C[C@H]1C[C@@H](C)CN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 16311007 SJJWZYXKJCRTQM-TXEJJXNPSA-N 345.486 1.976 0 40 EDAB CSC(=S)O[C@@H]1CS(=O)(=O)C[C@@H]1OC(=S)SC 2408776 HWYBLTROVZVYKR-OLQVQODUSA-N 332.515 1.481 0 40 EDAB CCOC(=O)CCC(=O)OCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102173557 VODHMAGXODGYJX-XDQVBPFNSA-N 325.405 1.814 0 40 EDAB CNC(=S)N(CCN(C)C)Cc1cc2ccc(C)cc2[nH]c1=O 4133445 NWVZUFIJFOQSKK-UHFFFAOYSA-N 332.473 1.704 0 40 EDAB O[C@H](COc1ccccc1)CN1CCN(C[C@H]2CCCCO2)CC1 69771487 KBKXRSDTTCMYTH-PKOBYXMFSA-N 334.460 1.613 0 40 EDAB O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1COc2ccccc2O1 32876309 SULRMGHVKUVHBO-MRXNPFEDSA-N 336.351 1.724 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(C)cc2)NC(=S)N1 8774406 BNHPNDNRTGMTCY-OAHLLOKOSA-N 331.441 1.647 0 40 EDAB CCN(CC)C(=O)CCCNC(=O)CCNC(=O)c1ccccc1 32931060 ALVMKRDQWXNWGM-UHFFFAOYSA-N 333.432 1.571 0 40 EDAB CNC(=O)COC(=O)c1csc(I)c1 69738151 GJANPPKFOVMOKY-UHFFFAOYSA-N 325.127 1.256 0 40 EDAB COC(=O)c1ccc(=O)n(CC(=O)N2c3ccccc3C[C@@H]2C)c1 22190570 PHOZQEFLTFLQHB-LBPRGKRZSA-N 326.352 1.613 0 40 EDAB C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCNC2=O)CCN1Cc1ccccc1 89920229 JQVBFFXWAWHTCZ-HYVNUMGLSA-N 344.459 1.617 0 40 EDAB CC(C)C[C@H](CNC(=O)c1ccc2[nH]nnc2c1)N1CCOCC1 22970234 HODOWIQKKOTMED-CQSZACIVSA-N 331.420 1.435 0 40 EDAB Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)[nH]n1 54778443 GWDMWQQVKDFOCP-UHFFFAOYSA-N 330.363 1.892 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)c3ccc(OCC4CC4)nc3)CCO2)n1 76045435 HVVUMGNJUVCZMC-CQSZACIVSA-N 343.387 1.511 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 61722182 KRVHHBFEEKZFCG-YOEHRIQHSA-N 327.388 1.430 0 40 EDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)N1CCc2ccccc21 43229463 AYQKLVHWJYJUKI-WMZOPIPTSA-N 345.443 1.496 0 40 EDAB C[C@H](CCN1CCCC1=O)NC(=O)c1ccccc1Cn1cncn1 76065759 QHXVQRVDZAODEP-CQSZACIVSA-N 341.415 1.457 0 40 EDAB CS(=O)(=O)CCC(=O)NCCc1ccn(-c2ccc(F)cc2)n1 76089133 JNGNBMWESBKJSF-UHFFFAOYSA-N 339.392 1.105 0 40 EDAB COc1ccc([C@@H](CNc2ccc3nnnn3n2)N2CCCC2)cc1 24903436 FTUMQIABEKNBSP-OAHLLOKOSA-N 339.403 1.777 0 40 EDAB Nc1nnc(SCC(=O)N2CCN(C(=O)c3ccccc3)C2)s1 1428229 TWMBWNDVFJYBPO-UHFFFAOYSA-N 349.441 1.155 0 40 EDAB COc1ccc(N[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 58271213 OOYSQFTZQMJUQY-DGCLKSJQSA-N 326.418 1.141 0 40 EDAB O=C(NCc1cccs1)NCc1cccnc1N1CCOCC1 26386479 RQMSCSXLJSRYKZ-UHFFFAOYSA-N 332.429 1.979 0 40 EDAB C=CC(=O)N1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 26455714 ZVKRTOYQLVNBFB-UHFFFAOYSA-N 332.429 1.432 0 40 EDAB O=C1CCCCCN1CCCN1C(=O)c2ccccc2S1(=O)=O 44644786 BUGZWGGTTKSNKG-UHFFFAOYSA-N 336.413 1.624 0 40 EDAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCC(=O)O)ccc12 2091743 WALOXTDZLGTBHG-JTQLQIEISA-N 333.340 1.714 0 40 EDAB biogenic O=C(CN1CCC[C@@H](CO)C1)Nc1cccc(N2CCCC2=O)c1 10053103 OTDXQJXXSFWNKV-CQSZACIVSA-N 331.416 1.456 0 40 EDAB COc1cc(NC(=O)CCNC(=O)[C@@H]2C[C@H]2C)ccc1NC(C)=O 44772915 YSBKGCTYLGFNNA-ZWNOBZJWSA-N 333.388 1.754 0 40 EDAB O=C(Cc1ccc(F)cc1)NC[C@H](O)COc1ccc2c(c1)OCO2 58166254 RQJUGFHUWGPXLQ-AWEZNQCLSA-N 347.342 1.653 0 40 EDAB O=C(c1nc(N2CCCC2)ncc1Cl)N1CCCn2nccc21 58192928 XOVLLLSTYWOKOD-UHFFFAOYSA-N 332.795 1.977 0 40 EDAB COCCCNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10332899 FAWNOSUQSFUSFJ-AWEZNQCLSA-N 342.461 1.611 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(OCC(C)C)cc1 25020120 QRWXARFWFCGJGH-HNNXBMFYSA-N 348.399 1.225 0 40 EDAB NC(=O)c1ccc2c(=O)n(CC(=O)N3CCc4ccccc43)cnc2c1 12650315 LIPSVGNSADUPJQ-UHFFFAOYSA-N 348.362 1.085 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 44935296 FRVKHJQUBABCMG-LLVKDONJSA-N 344.337 1.175 0 40 EDAB Cc1cc(C)n(-c2ccc(CNC(=O)N3CCC(CO)CC3)cn2)n1 44969109 BWWFFTAVKFONSU-UHFFFAOYSA-N 343.431 1.798 0 40 EDAB CCN1CCC[C@@H](CNC(=O)c2ccccc2S(=O)(=O)CC)C1 58356170 BZYUVKSEDAONBP-AWEZNQCLSA-N 338.473 1.942 0 40 EDAB COc1c(CNCc2ccc(N3CCO[C@@H](C)C3)nc2)c(C)nn1C 58332747 MBTRFWXTBPKEGP-ZDUSSCGKSA-N 345.447 1.647 0 40 EDAB C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)c1cccc(Br)c1 58406364 AQCASESYHLEYCB-OIBJUYFYSA-N 340.177 1.224 0 40 EDAB Cc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)cc1 2284500 DYSVXMXYUXTYOV-CYBMUJFWSA-N 343.330 1.928 0 40 EDAB CCOc1ccc(-c2nnc(SCC(=O)NC(C)C)n2N)cc1 3355717 MXADLXCRFYYPPL-UHFFFAOYSA-N 335.433 1.674 0 40 EDAB CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccccc1 11193005 YUITXQZSFMCLFF-MRXNPFEDSA-N 325.368 1.402 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 45540457 FHPPOIVXNQVQKS-MRXNPFEDSA-N 347.396 1.767 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CCn1cnc2ccccc2c1=O 48289209 SJNRWJFAMBOEBJ-UHFFFAOYSA-N 325.372 1.776 0 40 EDAB CN(C)c1cc(CNC(=O)NC[C@H](c2ccco2)N(C)C)ccn1 48273476 ZTHINCXOQDEGSY-CQSZACIVSA-N 331.420 1.843 0 40 EDAB C[C@@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(N)=O 3468918 VLYBGHARCCLNJD-LLVKDONJSA-N 337.335 1.416 0 40 EDAB COc1cc(C(=O)N2CCNC(=O)C2)cc(OC)c1Br 13005429 LNXPWTKUFFBMSB-UHFFFAOYSA-N 343.177 1.038 0 40 EDAB C[C@H](NC1CCN(CC(=O)N(C)C)CC1)c1nc2ccccc2n1C 91336311 BDBMNDFRUGJTNW-AWEZNQCLSA-N 343.475 1.777 0 40 EDAB CCn1ccnc1CN1CCN([C@H](C(N)=O)c2ccccc2)CC1 69444515 KDTGOTKWLPIYBU-KRWDZBQOSA-N 327.432 1.247 0 40 EDAB CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc2ccccc2oc1=O 69438438 ZTZSCCGFYZPROV-OAHLLOKOSA-N 344.411 1.976 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc4cn[nH]c4c3)cc2[nH]1 5165121 IXIDVQMNMMSDQW-UHFFFAOYSA-N 329.341 1.533 0 40 EDAB CCC(=O)NCC(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 69485108 KANIEVUJXVEIBU-LBPRGKRZSA-N 339.823 1.570 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)NC[C@@H]1Cc2ccccc2O1 65400209 DAADXYNNQFVFFG-AWEZNQCLSA-N 341.415 1.807 0 40 EDAB CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCCCn1cccn1 65565623 JQTIDBQWYMQNRP-CYBMUJFWSA-N 338.477 1.727 0 40 EDAB O=C(CNC1=CC(=O)N(c2cccc(F)c2)C1=O)Nc1ccccc1 6414221 STEUWWBAZZEUPT-UHFFFAOYSA-N 339.326 1.811 0 40 EDAB COc1ccc(CN(C(=O)C2=NNC(=O)CC2)C2CC2)c(OC)c1 65614039 FIUSUKJNZUOFNP-UHFFFAOYSA-N 331.372 1.461 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@H](n2cccn2)C1 65608442 HLOUQXJTGCGWOM-AWEZNQCLSA-N 330.388 1.781 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N[C@@H](C)c3nnc4n3CCC4)ccc21 65608412 DHGUKQJRUQVKGK-NSHDSACASA-N 339.399 1.624 0 40 EDAB CCCCn1nnnc1CSc1nnnn1-c1ccc(OC)cc1 5468828 GOZBPFRLGKKOHQ-UHFFFAOYSA-N 346.420 1.750 0 40 EDAB COC(=O)CNC(=O)c1cccc(NC(=O)N[C@H]2CCC[C@@H]2C)c1 69809076 KZHBAAIICHBOHB-FZMZJTMJSA-N 333.388 1.900 0 40 EDAB C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCc2cncnc2C1 69808214 JJODAIFCPHCBBW-CYBMUJFWSA-N 328.391 1.721 0 40 EDAB O=C(NCc1nnc2ccccn12)C(=O)Nc1cc(F)c(F)cc1F 69567898 ABGQONOLOHKKHG-UHFFFAOYSA-N 349.272 1.402 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 69976516 KBQAAYOKMSNXOE-HNNXBMFYSA-N 337.439 1.437 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 69902103 MPLNKTWYCWWSKF-CYBMUJFWSA-N 344.814 1.634 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69918052 ZYFOHKSVFHSYIL-RTBURBONSA-N 339.439 1.564 0 40 EDAB O=C1COc2cc(C(=O)NCCOc3cccc(F)c3)ccc2N1 41344204 QOZZMAACFVMDNQ-UHFFFAOYSA-N 330.315 1.965 0 40 EDAB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccccc2)c1 7007700 AVGHFVXZDXLWOH-UHFFFAOYSA-N 334.397 1.954 0 40 EDAB N[C@@H](C(=O)O)[C@@H](N)C(=O)OCC1c2ccccc2-c2ccccc21 64219216 HFJZGKNPUGRWBV-HZPDHXFCSA-N 326.352 1.081 0 40 EDAB CCCn1c(N)c(C(=O)CN2CCC[C@H]3CCCC[C@@H]32)c(=O)[nH]c1=O 7587763 YOQYIVCBJHNJAE-OLZOCXBDSA-N 348.447 1.366 0 40 EDAB Cn1c(CO)cnc1S(=O)(=O)Cc1cccc(Br)c1 97047658 GZEQJNYNOWXYRZ-UHFFFAOYSA-N 345.218 1.649 0 40 EDAB O=S(=O)(c1ccccn1)N1CC(n2cc(-c3ccccc3)nn2)C1 96000465 JIXIKWCQPGTORD-UHFFFAOYSA-N 341.396 1.586 0 40 EDAB COc1ccc(CCNC(=O)CN2CCC[C@@H]2c2cnn(C)c2)cc1 71797340 IBJRKVJDWXQXAT-GOSISDBHSA-N 342.443 1.925 0 40 EDAB Cn1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c2ccccc21 72269383 RXPSPZNZQLZABW-ROUUACIJSA-N 327.428 1.850 0 40 EDAB CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2cn[nH]c12 71889657 MFUDQOIGLINEJY-INIZCTEOSA-N 336.395 1.992 0 40 EDAB O=C(c1ccc(OCC(F)(F)F)nc1)N1CCCn2ncnc21 71826668 VOYWDUYNBHEPQT-UHFFFAOYSA-N 327.266 1.665 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCC(=O)N(C)Cc1ccccc1 71853490 IDPXMPHJEZEGEC-GDBMZVCRSA-N 345.443 1.314 0 40 EDAB Cc1nc(COc2ccc(NC(=O)c3ccc[nH]c3=O)cc2)no1 71888356 MHTILAGBCYZZLV-UHFFFAOYSA-N 326.312 1.898 0 40 EDAB C[C@H](Nc1cnn(Cc2ccccc2)c1)C(=O)NC(=O)NC1CC1 97139967 FWGPLUSJLMIIFL-LBPRGKRZSA-N 327.388 1.720 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1C 71916521 VAHBABAMNBSNJE-UHFFFAOYSA-N 340.426 1.752 0 40 EDAB Cc1cc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)sc1C 72311555 HZIFFDNKZDEBNR-INIZCTEOSA-N 335.429 1.815 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2[nH]ncc2Br)C[C@@H](C)O1 95395200 MWLSSLHGAQYILH-RKDXNWHRSA-N 331.214 1.011 0 40 EDAB CN1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)c2cc(F)ccc21 95400131 ZGZWPIWXIMDADI-NSHDSACASA-N 326.393 1.433 0 40 EDAB Cn1ccc(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 95418635 VVKQDLCOVQOIRU-QZTJIDSGSA-N 325.412 1.751 0 40 EDAB CN(C1CCOCC1)S(=O)(=O)NCCc1c[nH]c2ccccc12 95407621 OFHHIILPQZFMIT-UHFFFAOYSA-N 337.445 1.656 0 40 EDAB O=C(c1nccn2ccnc12)N1CCN(CCc2cccs2)CC1 95404126 RKAPMFXFXAKMES-UHFFFAOYSA-N 341.440 1.791 0 40 EDAB COc1ccc(N(C)C(=O)c2cc(Cn3cc(C)cn3)on2)cn1 95439372 NGUVCXZVPVVIKR-UHFFFAOYSA-N 327.344 1.908 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)[C@@H](O)c1ccc(F)c(F)c1 95433358 GKUDCDIONFDREU-FUXBKTLASA-N 346.355 1.970 0 40 EDAB CSc1ccc(NCc2cnc(N3CCN(C)CC3)nc2)cn1 95430883 RVOCFGCCOXQARW-UHFFFAOYSA-N 330.461 1.957 0 40 EDAB CN(Cc1ncnn1C)C(=O)NCCc1ccc(-n2cccn2)cc1 73569132 FZXJBJZQUHFKRP-UHFFFAOYSA-N 339.403 1.385 0 40 EDAB C[C@@H](CNC(=O)N1CCC(N(C)CCCO)CC1)Cn1cccn1 95961012 GGMRZKPGGPWURC-HNNXBMFYSA-N 337.468 1.007 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)OCc2cncs2)[C@H]1c1cnn(C)c1 95997322 GREDJIMAQMQURM-TZMCWYRMSA-N 334.401 1.530 0 40 EDAB Cn1cc(CN2CCc3nn(C)c(=O)cc3C2)c(-c2ccccc2)n1 95986792 RKXYISIGRVYAEA-UHFFFAOYSA-N 335.411 1.739 0 40 EDAB Cc1noc(C)c1CN(C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 95951651 JBETWJFVMXHJGD-INIZCTEOSA-N 338.429 1.860 0 40 EDAB CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)[C@]1(C)CC1(Cl)Cl 95943970 AAIXZVUTGAXBNS-NWDGAFQWSA-N 326.220 1.779 0 40 EDAB NC(=O)[C@H]1CCCCN1CC(=O)Nc1ccc(Br)cc1 9953795 ISAFQNXOKDBDTD-GFCCVEGCSA-N 340.221 1.727 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1 89448675 RYJVELXTRWWYII-OAHLLOKOSA-N 341.455 1.530 0 40 EDAB Cc1ccc2c(c1)O[C@H](C)CN2C(=O)Cn1nc2ccccn2c1=O 75093473 SKIYBTKAXWCVPK-CYBMUJFWSA-N 338.367 1.619 0 40 EDAB COc1ccc2c(c1)OC1(CCN(S(C)(=O)=O)CC1)CC2=O 170550495 DHYAPNZAWGJGDD-UHFFFAOYSA-N 325.386 1.455 0 40 EDAB COc1ccccc1-c1cnc2n1C[C@]1(CCN(S(C)(=O)=O)C1)C2 306141646 WCVKGILCQSOBBZ-QGZVFWFLSA-N 347.440 1.767 0 40 EDAB COc1ccc(-c2nnc(CN(C)C(=O)[C@H]3CCCO3)o2)cc1OC 408714031 GZAVJSYLGQYJHF-CYBMUJFWSA-N 347.371 1.891 0 40 EDAB CC[C@H](C(=O)N[C@H](C)COC)N(c1ccccc1)S(C)(=O)=O 37021568 LJOAYCSPCRAZES-TZMCWYRMSA-N 328.434 1.382 0 40 EDAB Cc1cc(CC(=O)NCc2nc(COc3ccccc3)n[nH]2)n(C)n1 514731675 QTSHWNRGWZDYFX-UHFFFAOYSA-N 340.387 1.285 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N2CC(C)(C)NC(C)(C)C2)cc1 521394491 WKWXBQSOJRNCHE-UHFFFAOYSA-N 339.461 1.796 0 40 EDAB O=C(CCCn1cnnn1)N1CCN(C/C=C/c2ccccc2)CC1 524733226 AFPZVBLXHQVNDF-XBXARRHUSA-N 340.431 1.311 0 40 EDAB CC(=O)Nc1nc(CN2CC3(CCOCC3)CC[C@H]2CO)cs1 528639724 LOIXPUWJXZOIOD-AWEZNQCLSA-N 339.461 1.855 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@@H](O)c2cccn2C)cc1C 75155121 KYMSTCOXCLARSM-OAHLLOKOSA-N 338.429 1.744 0 40 EDAB NNc1c(Br)cncc1S(=O)(=O)N1CCCCCC1 72210894 XOMSSUSAUJVAAV-UHFFFAOYSA-N 349.254 1.694 0 40 EDAB CCc1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)sc1C 32771007 ONKOOSXRPAJONY-UHFFFAOYSA-N 330.475 1.773 0 40 EDAB CCOCCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O 35315523 BZGOIGGWQHGZPM-UHFFFAOYSA-N 329.400 1.762 0 40 EDAB COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn32)c1 31813184 XKVXUOUKOOXYJF-NSHDSACASA-N 331.332 1.126 0 40 EDAB CCOC(=O)c1ccc(-c2nnc(NC(=O)/C=C\C(=O)O)o2)cc1 215867411 GHTROGNIRWGJPA-FPLPWBNLSA-N 331.284 1.493 0 40 EDAB O=C1CC[C@@H](N2CCN(Cc3cccc4c[nH]nc34)CC2)CCN1 560156582 RBVLWVYSZKPZLP-MRXNPFEDSA-N 327.432 1.349 0 40 EDAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CCOCCO)C1=O 78707735 JHTHPOWINMPCFM-SFHVURJKSA-N 328.368 1.616 0 40 EDAB COC(=O)c1cn([C@H]2CCCC[C@@H]2OC(=O)c2cscn2)nn1 78411366 SJTJZOICTASUHK-RYUDHWBXSA-N 336.373 1.862 0 40 EDAB Cc1csc(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)n1 78988564 GTAJTKXQOWBVRB-MRVPVSSYSA-N 336.339 1.414 0 40 EDAB CS(=O)(=O)N[C@@H](CC(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 225945216 SGQJYAOBSOMZEZ-KBPBESRZSA-N 344.408 1.101 0 40 EDAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NC2CCCCCC2)c1 40266274 RXXHNDOQWUYFNQ-UHFFFAOYSA-N 342.403 1.748 0 40 EDAB C[C@@H]1CN(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C[C@@H](C)O1 46237735 HJLLRWIZYNEJAF-BZUAXINKSA-N 345.443 1.265 0 40 EDAB COc1cc(C)c(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1C 134010919 RUFDSTMTYCBGDC-UHFFFAOYSA-N 336.417 1.969 0 40 EDAB CNS(=O)(=O)CC(=O)N(Cc1c(F)cccc1Cl)C1CC1 83598526 ANFPFOPSLMZGSE-UHFFFAOYSA-N 334.800 1.519 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NCc1c2c(nn1C)CCC2 225818964 GSJBSOHSHCVWRY-UHFFFAOYSA-N 339.392 1.535 0 40 EDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCCCn1ccnc1)O2 40808693 WGBGKBAONUWMDM-QGZVFWFLSA-N 328.372 1.488 0 40 EDAB CN(C)CCCNC(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O 41549935 JKYMRKLWGXQVCC-OAHLLOKOSA-N 325.796 1.498 0 40 EDAB O=c1c(F)cn([C@H]2CCCO2)c(=O)n1C[C@@H](O)C1CCCCC1 191357557 CNXPJTVGASXVEK-ZIAGYGMSSA-N 326.368 1.399 0 40 EDAB Cc1nccn1CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 96420689 VEGQZGSRSNXQQP-GOSISDBHSA-N 342.443 1.599 0 40 EDAB CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)cc1 194642780 JYXXQIPXGZGBEF-UHFFFAOYSA-N 345.384 1.461 0 40 EDAB CC(C)NS(=O)(=O)[C@@H]1CCN(c2nnc(C(F)(F)F)s2)C1 97099704 PSHICAWSLNFOAT-SSDOTTSWSA-N 344.384 1.463 0 40 EDAB COCCn1c2c(ccc1=O)C[C@H](NCc1cccnc1OC)CC2 96189671 XENZBINMXKNBEL-MRXNPFEDSA-N 343.427 1.545 0 40 EDAB c1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(CC2CC2)C1 96244181 SPLMBESSPXEOML-SFHVURJKSA-N 330.432 1.197 0 40 EDAB Cn1nnc2c1CCN(C(=O)Cc1cccs1)[C@@H]2COCC1CC1 96068738 RWMCNMXGGIMASO-OAHLLOKOSA-N 346.456 1.972 0 40 EDAB Cc1ccc(CN2Cc3c(C(=O)N4CCOCC4)nn(C)c3C2)o1 96187552 GBAAIVMGGDKZOI-UHFFFAOYSA-N 330.388 1.310 0 40 EDAB CN1CCC(NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)CC1 96427042 YHQUROYONMXPSW-KRWDZBQOSA-N 335.423 1.409 0 40 EDAB c1cnn(C[C@@H]2CC[C@]3(COCCN(Cc4ccncc4)C3)O2)c1 96052387 GAVPJAWJWCZCDH-ROUUACIJSA-N 328.416 1.728 0 40 EDAB CN1CCN(CCOc2ccc(NC(=O)c3cnc[nH]3)cc2)CC1 96432185 DYYLUWROBRDLHJ-UHFFFAOYSA-N 329.404 1.288 0 40 EDAB O=C([C@@H]1COC[C@H]2CN(c3ncccn3)C[C@@H]12)N1CCC(F)CC1 96038632 XURDFWGQDPQFQI-BPLDGKMQSA-N 334.395 1.136 0 40 EDAB CN1C[C@H](NC(=O)C(C)(C)C)CCC[C@@H](C(=O)NC2CC2)CC1=O 96113248 CAMQUTNBCIHLBE-TZMCWYRMSA-N 337.464 1.445 0 40 EDAB biogenic,in-vitro Cc1ccsc1C(=O)N1CC[C@@H](N2CCOCC2)C[C@H]1C(=O)O 96069102 FOPIHQXOSDJNPL-OLZOCXBDSA-N 338.429 1.447 0 40 EDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)c3cccc4[nH]ccc34)C2)nn1 582362542 LEWMZQCMVZCQNB-LLVKDONJSA-N 339.355 1.935 0 40 EDAB Cc1cnc(C(=O)N2CC[C@@H]3OCCN(CC4CC4)[C@H]3CC2)cn1 96082224 TUOOIXZTDSTIFW-IRXDYDNUSA-N 330.432 1.500 0 40 EDAB Cc1cccc2[nH]c(CCC(=O)NCC(=O)Nc3cccnc3)nc12 96455626 YZEMHEMGNBDHQS-UHFFFAOYSA-N 337.383 1.954 0 40 EDAB CS(=O)(=O)N1CC[C@H](F)[C@]2(CCN(C(=O)c3ccco3)C2)C1 96241231 SGAHZFMGYWNKOD-JSGCOSHPSA-N 330.381 1.115 0 40 EDAB O=C(c1ccccn1)N1CC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96047744 VOATTWDLUYTDKS-GUYCJALGSA-N 325.372 1.357 0 40 EDAB CS(=O)(=O)N1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 96160981 BJIBZBWMBKCPAQ-GDBMZVCRSA-N 340.445 1.429 0 40 EDAB Cc1cc(O)cc(=O)n1CC(=O)Nc1ccc(Cn2cncn2)cc1 96231806 AMTMAMBLWQUSJZ-UHFFFAOYSA-N 339.355 1.141 0 40 EDAB O=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@]1(O)CCSC1 583622906 DEYBXUZTRVPQIO-HUBLWGQQSA-N 344.477 1.645 0 40 EDAB Cn1ccnc1CN1CC[C@@H]2OCCN(c3cccnc3)[C@H]2CC1 248084147 AXGOWZOZIFZGBY-IRXDYDNUSA-N 327.432 1.685 0 40 EDAB O=C(CC1CCCCC1)NCCNC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 249532683 JQQHUABSPNBODN-KCEFYPGHSA-N 349.475 1.484 0 40 EDAB C[C@@H](O)CNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 249310032 NWQDJUBTKZNRMH-WBVHZDCISA-N 334.464 1.045 0 40 EDAB O=C(c1ccncc1)N1CC2(C1)OCC[C@H]2COc1ccccn1 247870238 QMGDQGGGVYMGFV-HNNXBMFYSA-N 325.368 1.787 0 40 EDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCc2cccnc2)c1 257284170 PBMMGYISGVQRMG-UHFFFAOYSA-N 349.394 1.833 0 40 EDAB COc1c[nH]nc1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 585126699 GLKSOURMZVFJFM-GHMZBOCLSA-N 338.408 2.392 0 40 EDAB CC(C)=CCNS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 585115477 BLGWMXNXCYTKTI-ZDUSSCGKSA-N 348.465 1.508 0 40 EDAB c1cc(C[C@@H]2COCCN(Cc3ccc4c(c3)OCCO4)C2)ncn1 257241616 HYTUGTDHABXMSB-INIZCTEOSA-N 341.411 1.939 0 40 EDAB CCn1cc(-c2cnc([C@@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1 257291612 QHWDVFSQARXVIN-GFCCVEGCSA-N 335.433 1.499 0 40 EDAB Cc1ccccc1CC(=O)N(C)C[C@]1(O)CCN(c2ncccn2)C1 257311742 UKUQOHYRNAMMKF-LJQANCHMSA-N 340.427 1.427 0 40 EDAB Cn1c(=O)oc2ccc(C(=O)N3CCC(c4cnccn4)CC3)cc21 257214045 CKHDFTGSAGXFLF-UHFFFAOYSA-N 338.367 1.941 0 40 EDAB Cc1cccnc1C(=O)N1C[C@@H](O)[C@H](N(C)Cc2ccc(F)cc2)C1 257234447 GTOJAVVAFDONCS-IAGOWNOFSA-N 343.402 1.846 0 40 EDAB CC1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CCCN(CC(N)=O)[C@@H]3C[C@H]21 257277854 NZTXSRNEFCFSJC-ADAWSYLGSA-N 346.427 1.959 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H]1c1ccnc(O)n1 257261949 LJKHCQNHLQNKCQ-JTQLQIEISA-N 341.293 1.761 0 40 EDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(Cc2cccnc2)C3)n1 253480823 ZDCYZBSXOYMKCP-MRXNPFEDSA-N 326.400 1.992 0 40 EDAB CC(C)Oc1ccc([C@H]2CNCCN2C(=O)CN2CCOCC2)cc1 257215751 CRMOPLDFRGWLQZ-GOSISDBHSA-N 347.459 1.279 0 40 EDAB O=C(O)[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 263244085 UKVLAOXABYRRFZ-OIISXLGYSA-N 345.395 1.718 0 40 EDAB CN(C1Cc2ccccc2C1)S(=O)(=O)CCCN1CCOCC1 274200904 NCFIYIIMRRQPSG-UHFFFAOYSA-N 338.473 1.138 0 40 EDAB COC(=O)[C@H]1CCc2nnc(-c3ccc4c(c3)OCCO4)n2CC1 601043598 FLBUYDDRDGVTKC-NSHDSACASA-N 329.356 1.842 0 40 EDAB N[C@@H]1CC12CC(NC(=O)c1nn3c(c1Br)CCC3)C2 1615544914 BMWQTTHIPPWIDZ-ZNZYBQRESA-N 325.210 1.201 0 40 EDAB Cc1cc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c(C)n1C 1615614666 JABXMLKZTFQEMJ-UHFFFAOYSA-N 340.445 1.062 0 40 EDAB O=c1ccc(C2CC2)nn1CCNS(=O)(=O)c1cccc(F)c1 575608979 QNJQLFQXYHCPDE-UHFFFAOYSA-N 337.376 1.238 0 40 EDAB Cc1noc(C)c1C(=O)N1C[C@@H]2OCCN(Cc3ccncc3)[C@@H]2C1 585107714 ZZXWBCWWZWLLKE-CVEARBPZSA-N 342.399 1.412 0 40 EDAB CN(C)c1ncc(NC(=O)N[C@@H]2CCO[C@H]2c2ccncc2)cn1 585123601 JJUICWXIVQVFNW-KGLIPLIRSA-N 328.376 1.589 0 40 EDAB CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1COC[C@@H](O)[C@H]1O 585286588 MITXKWWVYQVDCP-NFAWXSAZSA-N 347.333 1.217 0 40 EDAB CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cn3c(n2)CCC3)cn1 585140627 HUHPUPHAXMUUIS-XJKSGUPXSA-N 329.404 1.696 0 40 EDAB CC(=O)NCC1CCN(C(=O)NCc2cccnc2N(C)C)CC1 46288318 SBGDRWCETCOMBL-UHFFFAOYSA-N 333.436 1.205 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 46952893 VQODDMOADSXEEY-VXGBXAGGSA-N 333.358 1.455 0 40 EDAB O=C(NC[C@H]1COCCO1)c1ccc(COCC(F)(F)F)cc1 54613841 LNECZIWXERUAEP-ZDUSSCGKSA-N 333.306 1.911 0 40 EDAB CC(=O)N[C@@H](CC(=O)NCc1nc(C2CC2)no1)c1cccs1 55706002 ZIGPQXHXXCIWRI-NSHDSACASA-N 334.401 1.892 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)c2cccc(OC)c2)s1 71843275 DYSSNVFWZWKUQH-UHFFFAOYSA-N 340.426 1.595 0 40 EDAB O=C(c1csc(-c2nc[nH]n2)n1)N1CCCC[C@@H]1Cn1cccn1 71865424 CZAMONQCZAUHRC-LLVKDONJSA-N 343.416 1.820 0 40 EDAB C[C@H]1C[C@H](N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)C(=O)O1 69509185 CPRCNIQRLRFBDF-HZMBPMFUSA-N 340.782 1.941 0 40 EDAB C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1)n1ccnc1 69619350 DGGDRAPKBNMKLY-NVXWUHKLSA-N 340.427 1.794 0 40 EDAB COc1cc2nc(N3CCC[C@H](OCCO)C3)nc(N)c2cc1OC 71908979 UBKARUPMQHONRI-NSHDSACASA-N 348.403 1.207 0 40 EDAB CCOCCO[C@H](C)C(=O)Nc1cc(C)ccc1NS(C)(=O)=O 78878369 GYDGQILIRCVCSH-GFCCVEGCSA-N 344.433 1.747 0 40 EDAB C[C@@H](C(=O)NCc1nc(C2CC2)no1)n1nnc(-c2ccccc2)n1 96430753 MFCLWEXRHFQMFN-JTQLQIEISA-N 339.359 1.478 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)c(C)c1 585429736 JIKAXZPIOBUCQX-UHFFFAOYSA-N 349.416 1.610 0 40 EDAB Cc1nccnc1N1CCN(c2nccc(N3CCCC3)n2)CC1 799324290 AMNZDULRMBMNQX-UHFFFAOYSA-N 325.420 1.502 0 40 EDAB C[C@@H](NC(=O)Cc1nc2c(s1)C[C@H](c1ccccc1)CC2)C(N)=O 1615046177 BBDNIIYOPQTDNQ-DGCLKSJQSA-N 343.452 1.948 0 40 EDAB CCn1cc(Br)c(=O)c(NC(=O)N[C@@H](C)C(C)(C)O)c1 1615041287 NMXBDYNRLFQBES-QMMMGPOBSA-N 346.225 1.912 0 40 EDAB O=C(N[C](CO)C(=O)NCc1ccccc1)OCc1ccccc1 1560407643 JARHRYGDRJTJAN-UHFFFAOYSA-N 327.360 1.753 0 40 EDAB O=C(NCc1ccncc1)c1cccc(N2CCCCS2(=O)=O)c1 5381165 FRZREIGUYDZZOF-UHFFFAOYSA-N 345.424 1.942 0 40 EDAB C[C@H]1Oc2ccc(S(=O)(=O)N[C@H](C)c3ccccn3)cc2NC1=O 12148080 YSLFQMISGQIBOE-GHMZBOCLSA-N 347.396 1.841 0 40 EDAB CCC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 16637411 RWJGTJRBNXBURW-NSHDSACASA-N 328.434 1.864 0 40 EDAB C[C@@H](C(=O)NC[C@H]1CCCO1)n1nc(-c2cccs2)cc(N)c1=O 19080046 IVXHGODDSVCAEM-WDEREUQCSA-N 348.428 1.410 0 40 EDAB Cn1ccnc1C(=O)N1C[C@H]2CCc3c(n[nH]c3C(F)(F)F)[C@H]2C1 19291179 HCVLOZMDCZUCSY-SCZZXKLOSA-N 339.321 1.964 0 40 EDAB O=C(CN1C(=O)CNC1=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19373818 KFPXEJQNGZMIJG-KNCCTNLNSA-N 341.411 1.627 0 40 EDAB CNCc1cc(NC)nc([C@@H]2CCCN2C(=O)Cc2ccccn2)n1 19760375 DKSUFDFTWKGGPW-HNNXBMFYSA-N 340.431 1.539 0 40 EDAB Cc1c(CN2CCC[C@H](NC(=O)c3cnccn3)CC2)cnn1C 19745556 ATEAFWUYGHWVAS-HNNXBMFYSA-N 328.420 1.303 0 40 EDAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)NC1CCOCC1 225556354 MUQOPFATQGPKIH-UHFFFAOYSA-N 335.404 1.610 0 40 EDAB Cn1cnc(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)c1 643914607 RVMGUSRDLXKARH-QGZVFWFLSA-N 335.379 1.202 0 40 EDAB O=C(c1onc2c1CCCC2)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1888850096 MKYFYOSLKUSBQQ-CHWSQXEVSA-N 339.399 1.552 0 40 EDAB CN(C(=O)c1cccc(Nc2ncccn2)c1)[C@@H]1CCS(=O)(=O)C1 24970911 LZQMYEAKZSRHHR-CQSZACIVSA-N 346.412 1.479 0 40 EDAB C[C@@H]1COc2c(N3CCN(C)CC3)ccc3c(=O)c(C(=O)O)cn1c23 39383034 ANLIAKDHRADSBT-LLVKDONJSA-N 343.383 1.405 0 40 EDAB in-vitro Cc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)s1 32531881 BCVHEJLLRVPOKA-UHFFFAOYSA-N 332.428 1.505 0 40 EDAB COc1cccc2cc(C(=O)N3CC(N4C(=O)COC4=O)C3)oc12 252527805 DJSSSNVJYVYHLT-UHFFFAOYSA-N 330.296 1.245 0 40 EDAB COc1ccnc(N2CC[C@H](COc3ccc4nccn4n3)C2)n1 2087038299 UBRZBCNDYHFVLT-LBPRGKRZSA-N 326.360 1.433 0 40 EDAB COCCN1CCC2(C1)CN(C(=O)c1nc3ccccn3c1C)C2 1565547089 KHYGSOMNRMZZJF-UHFFFAOYSA-N 328.416 1.437 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 1565542091 LKBSMTJKXDJWSX-YOEHRIQHSA-N 343.387 1.053 0 40 EDAB CCOC(=O)Cc1ccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)cc1 22133862 FHNNEVDMADQLDS-INIZCTEOSA-N 344.411 1.910 0 40 EDAB Cc1cc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)no1 23127465 FRWKRUFCDZBPAL-UHFFFAOYSA-N 346.387 1.543 0 40 EDAB O=C(Cc1ccsc1)N[C@@H]1CCN(c2nccn3cnnc23)C1 575616173 IPRMMYKKHWUWGV-GFCCVEGCSA-N 328.401 1.123 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC(Oc2cnsn2)CC1 618256725 LODHYNGKAKGFGD-UHFFFAOYSA-N 333.369 1.950 0 40 EDAB O=C(COc1ccc(F)cc1)N1CCN(C[C@@H](O)c2ccco2)CC1 85436755 QFOKBPZLDGFBJE-MRXNPFEDSA-N 348.374 1.675 0 40 EDAB CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96101450 YOCYCJRHPCAMHJ-UWVGGRQHSA-N 332.326 1.713 0 40 EDAB Cc1ccc([C@@](O)(CCNC(=O)c2nccnc2N)C(F)(F)F)o1 40498042 YIPSFQZCYFISNX-ZDUSSCGKSA-N 344.293 1.530 0 40 EDAB CC(C)c1c(C(=O)N2CCNC(=O)C2)cnn1-c1ccc(F)cc1 40498739 RCCPKAZFVMKASV-UHFFFAOYSA-N 330.363 1.707 0 40 EDAB O=C(CNc1ccc(-n2cccn2)c(F)c1)NCC(=O)N1CCCC1 50783959 ZRBVFVZUNKVEEV-UHFFFAOYSA-N 345.378 1.162 0 40 EDAB O=C(N[C@@H]1CCCCNC1=O)c1ccc(OCC(F)(F)F)nc1 40522238 LBEMGURVBWXVLV-SNVBAGLBSA-N 331.294 1.421 0 40 EDAB Cc1cc(NC(=O)[C@H]2C(O)=CC(=O)N3CCc4ccccc4[C@H]23)[nH]n1 100918027 MZGJYRBEXBLFBW-DLBZAZTESA-N 338.367 1.854 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 29190333 VXLVAEGATFSKKO-UONOGXRCSA-N 340.445 1.303 0 40 EDAB O=C(O)c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 2575593 VZZVLHOCWLSPGM-UHFFFAOYSA-N 325.368 1.738 0 40 EDAB NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccccc2F)n1 413976 IDXOOSQFWPVHKK-UHFFFAOYSA-N 340.318 1.217 0 40 EDAB Cc1ccccc1NCCC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 29200573 WWYNFXDUAJJIDF-CQSZACIVSA-N 339.461 1.337 0 40 EDAB CNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 571620 DTRJPSQOOVYHFW-UHFFFAOYSA-N 348.424 1.778 0 40 EDAB CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cn1 69738831 FCWZVGHZSDZQNN-UHFFFAOYSA-N 336.417 1.083 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)cc1C 6928415 VUIZXFCTJOQBCF-ZBFHGGJFSA-N 336.457 1.792 0 40 EDAB O=C(Cn1nc(-c2ccco2)ccc1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 101703917 YOBAGYOIGXEWRY-MELADBBJSA-N 325.368 1.832 0 40 EDAB C[C@@H](OC(=O)COc1ccc(Cl)cc1Br)C(N)=O 7430822 UPBUENCMUYAWFT-ZCFIWIBFSA-N 336.569 1.898 0 40 EDAB Cc1ccnc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 21877318 BIKONNGJWFVGFT-UHFFFAOYSA-N 330.388 1.925 0 40 EDAB CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 8560398 AZVWRMYFIISAHB-UHFFFAOYSA-N 326.418 1.620 0 40 EDAB Cn1c(S[C@@H]2CCOC2=O)nnc1[C@@H]1COc2ccccc2O1 21958475 PLXVHTHKIBBCBB-NWDGAFQWSA-N 333.369 1.735 0 40 EDAB Cc1ccc(F)cc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 102971664 AORYSVLQBQXDDT-GREKMHCPSA-N 328.343 1.880 0 40 EDAB CCCn1c(=O)c2c(nc3n2CCCN3c2ccccc2)n(C)c1=O 542207 JPVJJKFHTCCQNN-UHFFFAOYSA-N 339.399 1.849 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N(C)c2ccc(F)cc2)CC1 55750465 WIMMYNNQWYAROL-UHFFFAOYSA-N 328.409 1.850 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)NCCC1=CCCCC1 22561986 GYJPLFNRZCSBND-INIZCTEOSA-N 337.445 1.421 0 40 EDAB C[C@@H]1CCCCN1CCCNC(=O)CN1C(=O)COc2ccccc21 2953698 AZTHFWJGRIIGJB-OAHLLOKOSA-N 345.443 1.793 0 40 EDAB NC(=O)N[C@H](CC(=O)N[C@@H](C(N)=O)c1ccccc1)c1ccccc1 54704527 XBTVGUKAADGLNW-GDBMZVCRSA-N 340.383 1.129 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc2ccc(C(F)(F)F)cn12 24142357 DXPGRIHCVKSFMK-LURJTMIESA-N 347.322 1.684 0 40 EDAB C[C@@H]1CN([C@H](C)CNC(=O)c2ccc3c(c2)CCC(=O)N3)C[C@@H](C)O1 106056207 UQCLTNQPNDOICL-MGPQQGTHSA-N 345.443 1.799 0 40 EDAB CN(C)C(=O)C1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1 55412601 BXSKVCQQYHCSMJ-UHFFFAOYSA-N 340.427 1.742 0 40 EDAB C[C@H]1CS(=O)(=O)CCN1C(=O)NCCOCc1ccccc1 177580664 QXMLBDNVMTXNQH-ZDUSSCGKSA-N 326.418 1.032 0 40 EDAB COC(=O)c1occc1Cn1c(S(C)(=O)=O)nc2ccccc21 25277716 UORGJDANOSIRLS-UHFFFAOYSA-N 334.353 1.868 0 40 EDAB Cc1cc(O)c(-c2ccnc3nc(N4CCCC4)[nH]c(=O)c23)c(=O)o1 102273484 CHFANRXEZLWKDZ-UHFFFAOYSA-N 340.339 1.553 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@@H](c1ccc(F)cc1)NC(=O)N2 35590227 WQFQXYOXDWERET-OAHLLOKOSA-N 333.363 1.703 0 40 EDAB O=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1ccc(Cl)cc1 57947243 ZYPKUKNHJOSFTM-UHFFFAOYSA-N 337.763 1.380 0 40 EDAB Cc1ccccc1[C@H](C)NC(=O)CCNS(=O)(=O)c1cccnc1 58066377 YSDCZQZGIYVSLF-AWEZNQCLSA-N 347.440 1.936 0 40 EDAB NC(=O)Cn1ccc(NC(=O)Nc2cccnc2N2CCCC2)n1 58088809 LCOXROJTTBOAKK-UHFFFAOYSA-N 329.364 1.008 0 40 EDAB O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc(Cl)c1F 58136530 CKORLRSZFFHKPI-MNOVXSKESA-N 348.827 1.621 0 40 EDAB O=C(NCc1cccnc1-n1ccnc1)c1ccc(-n2cnnn2)cc1 44899495 XGBRXODBGFVRDK-UHFFFAOYSA-N 346.354 1.173 0 40 EDAB COCCCNC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 44891182 GCPASXDSORIJDW-UHFFFAOYSA-N 349.431 1.322 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(S(=O)(=O)NC)cc1 58210797 KYHAMURZKUWATK-LBPRGKRZSA-N 326.418 1.093 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(C(=O)Cc2cn3ccsc3n2)C1 58344604 BAGMTKHPOXEPLX-GFCCVEGCSA-N 334.445 1.703 0 40 EDAB COc1ccccc1N1CC[C@@H](CNC(=O)CN2CSCC2=O)C1 58332100 NSMFQXNAGISJKT-ZDUSSCGKSA-N 349.456 1.171 0 40 EDAB CN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2O)cc1 58417184 KCAYXNAKBZOKJB-KBPBESRZSA-N 341.433 1.362 0 40 EDAB COC(=O)c1cc(C)sc1NC(=O)c1cc(C)nc2ncnn12 36618890 LYLXDHPERBHRFR-UHFFFAOYSA-N 331.357 1.842 0 40 EDAB CCN1C[C@H](C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)CC1=O 91767830 GYXLWOCCZIZFMS-IXPVHAAZSA-N 338.354 1.468 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 48615084 KIVBOMIUJXSSMJ-RHSMWYFYSA-N 335.423 1.631 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](C(N)=O)c2ccccc2)c1 62866636 MYVIAHPONVSOQD-GUYCJALGSA-N 340.379 1.999 0 40 EDAB CN(CCNC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)OC(C)(C)C 69810933 AMFLXVRTGKPTLM-UHFFFAOYSA-N 346.387 1.520 0 40 EDAB CC(=O)N(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C)cc1C 69898144 KTTYZFLTNDHMPT-HNNXBMFYSA-N 349.456 1.622 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2ccc(-n3cccn3)c(F)c2)CC1 69947258 AGODCJHCJSDBQN-UHFFFAOYSA-N 346.406 1.540 0 40 EDAB COc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C 4249421 DIODBYPHDYKZAB-JTQLQIEISA-N 341.371 1.220 0 40 EDAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2nnc(CC)s2)n1 5154768 HRNFGWUMTBQTDY-UHFFFAOYSA-N 339.446 1.867 0 40 EDAB COc1ccc2cc(/C=C3/C(=O)NC(=S)N3C(C)=O)c(=O)[nH]c2c1 13809968 SDLIKMBKUJQSIH-MLPAPPSSSA-N 343.364 1.141 0 40 EDAB Cc1sc2ncnc(N3CCC(S(N)(=O)=O)CC3)c2c1C 65490000 HXOAGIDVZTWSJG-UHFFFAOYSA-N 326.447 1.565 0 40 EDAB COc1ccc(CCCNC(=O)N2CC[C@H](C(N)=O)C2)cc1OC 65493577 HJYQQSMAPUMIOZ-ZDUSSCGKSA-N 335.404 1.153 0 40 EDAB CCN1CCC[C@H](NC(=O)CCn2ncc(=O)c3ccccc32)C1 65591463 SRMGTDUFNBMGBA-AWEZNQCLSA-N 328.416 1.387 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)C3CC3)C2=O)cc1 18415476 UNMWKCGRAYACMI-SGTLLEGYSA-N 329.400 1.677 0 40 EDAB COCCNc1nnc(SCC(=O)NC(=O)NC(C)(C)C)s1 6405039 KLQQYZGWGNWACF-UHFFFAOYSA-N 347.466 1.313 0 40 EDAB CC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 14197612 LFKUXTNHSCUANL-LBPRGKRZSA-N 326.418 1.692 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](C)CN2CCCC2=O)c1 65612893 TWQMYNAJWNYLIJ-JSGCOSHPSA-N 332.400 1.784 0 40 EDAB Cc1cccc(OCCNC(=O)COc2cc(C)ccc2C(N)=O)c1 8923910 JLVBQVRAFIVANR-UHFFFAOYSA-N 342.395 1.976 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CC 6848039 SIVOGRWWWRVQHT-JTQLQIEISA-N 348.428 1.743 0 40 EDAB COC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(=O)OC 15108476 LMYZZFMHOYGRJD-DGAVXFQQSA-N 327.421 1.916 0 40 EDAB biogenic,in-vitro COc1ccccc1OCC(=O)NCC(=O)Nc1ccc(F)cc1 5965549 GJJJEXHLEHEAAS-UHFFFAOYSA-N 332.331 1.968 0 40 EDAB NC(=O)Cn1cc(C(=O)N[C@H](c2cc3ccccc3o2)C2CC2)nn1 80206646 PBNFMFOEWQOHDW-INIZCTEOSA-N 339.355 1.391 0 40 EDAB O=C(Cc1cccc(O)c1)NC[C@@H]1CN(Cc2ccccc2)CCO1 68975126 HFRHZFHEERVFHL-LJQANCHMSA-N 340.423 1.952 0 40 EDAB O=C(N[C@H]1CCCS(=O)(=O)C1)c1cccc(Br)c1 69144817 HBHUKKXYEDJKBY-NSHDSACASA-N 332.219 1.756 0 40 EDAB COC(=O)[C@@H](CO)Nc1nc2c(Cl)c(C)nn2c2ccccc12 69352033 XUHBCIPMGVRWIT-SNVBAGLBSA-N 334.763 1.790 0 40 EDAB C[C@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(F)cc1 69343086 FVHBKYRPTHBQEY-WCQYABFASA-N 345.392 1.605 0 40 EDAB Cc1cc2ncn(C[C@H](O)CN[C@@H](C)Cn3cccn3)c2cc1C 69390116 IWZYKXATVOWPQN-JKSUJKDBSA-N 327.432 1.889 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(Cc2cc(Cl)cc3c2OCC3)C1 96008808 TXMNIJXNJZQBJT-ZDUSSCGKSA-N 330.837 1.398 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CN1CCCC1=O 8349751 PHOJMPROQMJLBO-ZDUSSCGKSA-N 327.388 1.409 0 40 EDAB CC(C)=CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8380645 VYKLNHODTOOTEI-UHFFFAOYSA-N 326.393 1.625 0 40 EDAB CN1CCN([C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)CC1 19866079 BVZYNKAHWMEZPV-QGZVFWFLSA-N 343.452 1.934 0 40 EDAB O=C(CSc1ncccn1)N1CCN(Cc2ccccc2)CC1 19899306 IJZRBFCFCKNZFJ-UHFFFAOYSA-N 328.441 1.913 0 40 EDAB O=S(=O)(NN1CCSCC1)c1ccc(Br)cc1 71791194 ZNNSYZYQIDDFSB-UHFFFAOYSA-N 337.264 1.691 0 40 EDAB O=C(N[C@@H]1COc2ccccc21)N1CCN(Cc2ccon2)CC1 96439604 MFASLDLJJHADDF-OAHLLOKOSA-N 328.372 1.636 0 40 EDAB CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccn(C)n2)cc1Cl 71857475 VIMBGEADOJOXIV-UHFFFAOYSA-N 346.771 1.972 0 40 EDAB COc1ccc(CCN2CCN(C(=O)c3cnn(C)c3C)CC2)cc1 71836605 NQQMBNXXVRJNIU-UHFFFAOYSA-N 342.443 1.738 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)C2(c3ccc4c(c3)OCO4)CCCCC2)C1 71830294 GTUBNYFXZXLTKD-ZDUSSCGKSA-N 344.411 1.951 0 40 EDAB CC[C@H]1CCCCN1C(=O)[C@@H](C)N(C)CC1CCN(CCO)CC1 71871538 HRFFHMMXXXXMIF-AEFFLSMTSA-N 339.524 1.802 0 40 EDAB CC(C)NC(=O)COC(=O)CCNC(=O)N1CCc2ccccc2C1 71914264 ZXRVRRMXKVWCSX-UHFFFAOYSA-N 347.415 1.212 0 40 EDAB COC(=O)c1ccc(C(=O)NCc2ccc(OC)cc2OC)nc1 83927877 XTXGRJUZKUULBV-UHFFFAOYSA-N 330.340 1.815 0 40 EDAB COC(=O)CN1CCCN(Cc2cn(C)nc2-c2ccccc2)CC1 97033854 JORNUOGTWBIAMM-UHFFFAOYSA-N 342.443 1.768 0 40 EDAB COCc1cccc(CN2C(=O)C[C@H](C(=O)O)[C@H]2c2cnn(C)c2)c1 72275757 ULAHIGLXQTXCNS-DOTOQJQBSA-N 343.383 1.741 0 40 EDAB COc1cccc2c1OC[C@H](C(=O)N1CCc3nnc(N)cc3C1)C2 72279506 SGYIIOSQGYPUNQ-CYBMUJFWSA-N 340.383 1.203 0 40 EDAB O=C1C[C@H](C(=O)N[C@H]2CCc3nccn3C2)c2ccc(F)cc2N1 97197756 PKVJPKGPZNTESU-AAEUAGOBSA-N 328.347 1.579 0 40 EDAB Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1cc(C(N)=O)cs1 97139383 NXVVNWBRTGVLBY-OAHLLOKOSA-N 329.425 1.829 0 40 EDAB COc1ccc(CC(=O)N[C@H]2CCc3nc(C)cn3C2)c(OC)c1 97198039 BSUWLQPMFNZDIY-AWEZNQCLSA-N 329.400 1.882 0 40 EDAB Cc1ccc(-c2nc(CC(=O)N3CCC(NC(N)=O)CC3)cs2)o1 72306315 HCWGSEHVELOHLP-UHFFFAOYSA-N 348.428 1.913 0 40 EDAB COc1ccccc1N1CCN(C(=O)Cn2cccc2C=O)CC1 72331883 DJYPTJXUVXWZMJ-UHFFFAOYSA-N 327.384 1.658 0 40 EDAB O=C1CC[C@@H](NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CN1 84367858 SSWBDJKQCHGFPS-CHWSQXEVSA-N 336.823 1.497 0 40 EDAB COc1ccc2c(c1)c1cnn(CN3CCSCC3)c(=O)c1n2C 79484558 KCKPYQOMADUABZ-UHFFFAOYSA-N 344.440 1.903 0 40 EDAB CC(C)[C@@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)c1nnc2n1CCC2 95394108 BSHNIMRNJKAQTK-GDBMZVCRSA-N 346.479 1.705 0 40 EDAB C[C@H](Cc1cccs1)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 95401280 AZZCRHZVUPPQDW-CHWSQXEVSA-N 344.502 1.715 0 40 EDAB O=C(Cc1cc(F)ccc1F)NCCNC(=O)c1ccccc1O 95404125 OXBHTASHEQGTIE-UHFFFAOYSA-N 334.322 1.759 0 40 EDAB CC(=O)NC[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)CCO1 75140615 JKHRCLYBEUCMEK-SECBINFHSA-N 332.734 1.595 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)NCCc2nc3c(F)cccc3n2C)cn1 75136630 OBKBRBAHMYRFTR-STQMWFEESA-N 341.390 1.908 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(Cc2ccncc2)C1 89741309 UVPUNUHHUOULJI-INIZCTEOSA-N 326.448 1.794 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCC[C@H](c2nncn2C)C1)c1ccco1 89761873 BGULFYILIZNRGF-KBPBESRZSA-N 346.435 1.600 0 40 EDAB C[C@H](C1CC1)N(C(=O)Cn1c(-c2ccccn2)noc1=O)C1CC1 89894175 BOQCITGOOBADCU-LLVKDONJSA-N 328.372 1.688 0 40 EDAB CC(C)c1ccc(S(=O)(=O)CC(=O)N(C)Cc2cnn(C)c2)cc1 66206138 PMQPXOMDOXNBTA-UHFFFAOYSA-N 349.456 1.976 0 40 EDAB CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(C)O1 408728642 QMBQAJPMXVRNJR-KYZVSKTDSA-N 327.336 1.696 0 40 EDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ncnc3n[nH]cc23)C1 547681384 UWPZCXTTWNCPJB-HNNXBMFYSA-N 343.416 1.360 0 40 EDAB CS(=O)(=O)N1CC[C@@]2(COc3ccc(-c4cncnc4)cc32)C1 306133804 MWSRJFSRXXERBO-INIZCTEOSA-N 331.397 1.439 0 40 EDAB O=S(=O)(Nc1cccc2cc[nH]c12)c1ccc(-n2cnnn2)cc1 548478274 TVFJZCXINJVSKU-UHFFFAOYSA-N 340.368 1.944 0 40 EDAB Cc1nnc([C@H]2COCCN2C(=O)[C@H](C)n2cnc3ccccc32)o1 514632796 YFHDJNNTMUMOAM-XHDPSFHLSA-N 341.371 1.889 0 40 EDAB Cc1ccc(-n2[nH]c(C(=O)N3CC[C@H](OC(F)F)C3)cc2=O)cc1 549591980 RZEGKGOHBJJWAN-LBPRGKRZSA-N 337.326 1.928 0 40 EDAB NC[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218158599 RVWGLINPBOCBGU-IAOVAPTHSA-N 331.393 1.930 0 40 EDAB Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN2Cc2cnn(C)c2)n1 72388396 VJTRHNWHBVABAH-GOSISDBHSA-N 342.447 1.732 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2cccc(F)c2)[C@@]1(COC)C(N)=S 218585797 KXGCUUZIGAHKCT-SGMGOOAPSA-N 331.434 1.645 0 40 EDAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCNC(=O)C2)cc1 36382143 PIYDWIXLWYSPPJ-GOSISDBHSA-N 339.395 1.807 0 40 EDAB Cc1cc(C)nc([C@H]2CCN(C(=O)c3cnc(N(C)C)nc3)C2)n1 72369718 UZPGRSNHZSNTHG-ZDUSSCGKSA-N 326.404 1.579 0 40 EDAB O=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)NCCCO)c1 217461129 NZBULWCDGLTKCQ-UHFFFAOYSA-N 342.417 1.400 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)N[C@@H]2CCN(CC3CCCC3)C2)cn1 76205925 WKRUEEOSSODQJA-AEFFLSMTSA-N 349.479 1.191 0 40 EDAB O=C(O)c1ccc(NC2CC2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 217497660 RSHRDVOSIJCGIF-LBPRGKRZSA-N 340.401 1.416 0 40 EDAB O=C(NC[C@H](O)Cn1ccccc1=O)c1nc2ccccc2s1 211127995 GYKLBXXVGCLIKB-NSHDSACASA-N 329.381 1.249 0 40 EDAB CNC(=O)CCc1cc([C@H]2CCCCN2CC(=O)N(C)C)nc(C)n1 72367060 SEQVOYSVYBQMDP-MRXNPFEDSA-N 347.463 1.079 0 40 EDAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1F 77845507 AUVONRNLFVHSQG-VXJOIVPMSA-N 332.322 1.956 0 40 EDAB Cn1cnnc1CCNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 79001191 QMXKXXKNNNFEOV-LBPRGKRZSA-N 337.424 1.263 0 40 EDAB C[C@H](c1nnnn1C)S(=O)(=O)Cc1ccc(-n2cccn2)cc1 195577227 NALKQXLGOAUWLM-LLVKDONJSA-N 332.389 1.072 0 40 EDAB NC(=O)C1CCN(C(=O)CCc2nc(-c3cccc(F)c3)no2)CC1 225800796 HEPHRQALOAHRMS-UHFFFAOYSA-N 346.362 1.532 0 40 EDAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCCN1CCOCC1 42646551 ALQWKUPIJUOGIJ-UHFFFAOYSA-N 333.432 1.371 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1 224340990 DZGFJLHDLVHFLT-UHFFFAOYSA-N 335.433 1.718 0 40 EDAB O=C1CCSC[C@H](C(=O)NCCCn2ncc3ccccc32)N1 226753231 YXJWOBQOYGNAFZ-CYBMUJFWSA-N 332.429 1.164 0 40 EDAB COCCOc1ccc(CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)cn1 225520794 QKTFKMLEMARCBI-CQSZACIVSA-N 344.415 1.560 0 40 EDAB O=C(NCc1cccnc1)N1CC[C@H]2[C@H]1CCN2CC1CCOCC1 96063954 BRLOLKOPRKAFHH-ZWKOTPCHSA-N 344.459 1.866 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1cccs1)C2)c1ccnnc1 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328.401 1.169 0 40 EDAB O=C(Cc1ccc(F)cc1)N1C[C@H](N2CCOCC2)[C@@H]2OCCC[C@@H]21 96185814 FRULHYTZFTXUGY-JENIJYKNSA-N 348.418 1.459 0 40 EDAB C[C@@H](c1ccsc1)N1CCN(C(=O)N[C@H]2CCN(C)C2=O)CC1 97378469 VGUQGOQMUIVCTI-JSGCOSHPSA-N 336.461 1.367 0 40 EDAB C[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@]12CCN(Cc1cccnc1)C2=O 96070311 NMJMTKKBGAGGIT-LIRRHRJNSA-N 338.411 1.921 0 40 EDAB CO[C@H]1C[C@@H](C(=O)NC2(c3cccc(F)c3)CCOCC2)N(C)C1 583620417 JUABLTBTIGKCEX-HOTGVXAUSA-N 336.407 1.667 0 40 EDAB c1cc(CN2CCC[C@]3(COCCN(c4cnccn4)C3)C2)ccn1 96049644 YAXIRKPCZALILJ-IBGZPJMESA-N 339.443 1.991 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccsc1)C2)c1ccno1 96108472 GFSUKNXADXHGFU-CJNGLKHVSA-N 333.413 1.615 0 40 EDAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(Cc3nccs3)[C@@H]2C1 248006072 OKMWCZXKRUVETE-MJBXVCDLSA-N 339.461 1.227 0 40 EDAB Cc1ccc2c(CC(=O)N3CCN(C)C[C@H](C(N)=O)C3)coc2c1 257214404 CLVWOGCJKAINRL-AWEZNQCLSA-N 329.400 1.159 0 40 EDAB CCn1cc(C(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3CCOC)C2)cn1 257259526 KYTLPHXFYXABHG-GOEBONIOSA-N 348.447 1.393 0 40 EDAB Cc1nn(C)c(C)c1-c1cnc([C@@H]2CCCN(S(C)(=O)=O)C2)cn1 257302136 SBRCHIOLLALFLT-CYBMUJFWSA-N 349.460 1.633 0 40 EDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3scnc3C)C2)ncn1 257255416 KHJVDVWBBVBKOF-INIZCTEOSA-N 347.444 1.263 0 40 EDAB CCc1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3C)CC2)on1 257311865 ULIGZAWYRGVZHG-HOCLYGCPSA-N 345.399 1.985 0 40 EDAB CCOCC(=O)N1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1 257249752 JJQDAHQOKNIHEL-ICSRJNTNSA-N 346.471 1.693 0 40 EDAB CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1sc2nnc(S)n2c1C 585089376 HZZRRFKBFCLKRQ-RQJHMYQMSA-N 342.446 1.705 0 40 EDAB O=C(Cn1cc(C2CC2)nn1)N1CCC[C@@](CO)(c2ccccc2)C1 585080061 DOLDNHKWVXWGGF-LJQANCHMSA-N 340.427 1.708 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3coc(C)n3)CC2)C[C@@]1(C)CO 257337723 YUCVFQGTYPMJRG-INIZCTEOSA-N 335.404 1.209 0 40 EDAB O=C1NCC[C@@]12CCCN2S(=O)(=O)c1csc2ccccc12 585114745 WZHXIJILUYPXEQ-HNNXBMFYSA-N 336.438 1.945 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)c1cnco1 257210358 BUHCIPIETDUWME-CYBMUJFWSA-N 329.360 1.386 0 40 EDAB O=C1CO[C@H]2CN(Cc3ccc(F)cn3)C[C@@H]2N1c1ccccc1 257246141 ISQLWCDPYXFCKC-IRXDYDNUSA-N 327.359 1.837 0 40 EDAB O=C(CCc1cccnc1)NC[C@]1(O)CCCN(c2ccccn2)C1 257307971 TUXQEGJKNXXYNO-LJQANCHMSA-N 340.427 1.557 0 40 EDAB CS(=O)(=O)N1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257271093 MWVKFSKLPIMPRT-HOTGVXAUSA-N 325.430 1.786 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)CCc1ccnn1C 257322141 WETBPSYWKVVAJH-INIZCTEOSA-N 343.431 1.311 0 40 EDAB CCCc1cc(C(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)no1 257270292 MTPFMEBEDWNAQP-AWEZNQCLSA-N 346.387 1.597 0 40 EDAB CNC(=O)c1cnn2c([C@H]3CCN(c4cc(C)ncn4)C3)ccnc12 257225741 FHOJOJOYTPGAOZ-LBPRGKRZSA-N 337.387 1.181 0 40 EDAB CCOc1ccc2nnc(CNC(=O)/C=C\c3ccccc3F)n2n1 253473521 VSUIUUZOQYQVFL-CLFYSBASSA-N 341.346 1.992 0 40 EDAB O=C(O)C[C@@H]1CN(C(=O)COc2ccc(F)cc2Cl)CCO1 262133911 LSQWNRCHJNREAI-SNVBAGLBSA-N 331.727 1.560 0 40 EDAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)C2 606445209 RZFLYCLUDRMUIY-QKPAOTATSA-N 329.444 1.760 0 40 EDAB N[C@@H]1CN(C(=O)C2(n3cc(Br)cn3)CC2)CC12CCC2 1615555307 QNOAHSSTQMOMJC-LLVKDONJSA-N 339.237 1.475 0 40 EDAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(CCF)CC1 1615587370 JXEKEPQCVWUHHQ-ZDUSSCGKSA-N 345.426 1.846 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1Cl 390830656 MMSNJRLAIWQJEE-LLVKDONJSA-N 342.790 1.786 0 40 EDAB C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)[nH]n2)C[C@@H](C)[S@]1=O 390833868 OFWCLCCSTCDUMI-XUZCOTSMSA-N 331.441 1.982 0 40 EDAB CCc1nc(C)cc(N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)n1 585132791 WEMHYZLIFDZOKJ-CQSZACIVSA-N 328.420 1.480 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 42512607 OCLHYQYRBKFMAJ-CHWSQXEVSA-N 330.363 1.580 0 40 EDAB CNC(=O)C[C@@]1(COC)CCCN1Cc1cnn2c(C)cc(C)nc12 585279026 RZGARMXNFFPXML-GOSISDBHSA-N 345.447 1.463 0 40 EDAB Cc1cccc(OC[C@@]2(O)COCCN(C(=O)c3ccccn3)C2)c1 585269510 XRRXZTJZAPOPQI-IBGZPJMESA-N 342.395 1.673 0 40 EDAB Cc1ncncc1C(=O)N1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 585279244 YCDOSUOYOMNMFK-RHSMWYFYSA-N 329.375 1.990 0 40 EDAB Cc1cc(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)sc1C 44916303 ZFGPNPQDKJHDME-HUUCEWRRSA-N 338.473 1.832 0 40 EDAB Cc1cccc(CNCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 48783335 PERYKHIGPJLVSX-HUUCEWRRSA-N 326.462 1.524 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1c(C)nn2c(C)cc(C)nc12 59364176 RJGNMJSZPGNDJV-CYBMUJFWSA-N 332.404 1.972 0 40 EDAB Cc1nn(C[C@@H](O)CN(C)Cc2ccccc2)c(=O)c2noc(C)c12 58343054 WRLHXHBUOMJPIJ-HNNXBMFYSA-N 342.399 1.494 0 40 EDAB CSc1nnc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)s1 58329160 BYGIIGRRXMERQX-JTQLQIEISA-N 334.426 1.923 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)OCc1ccccc1 58323991 GUQFXTXXTZUPEI-TZMCWYRMSA-N 333.388 1.025 0 40 EDAB CS(=O)(=O)NCCNC(=O)c1cnc(-c2ccccc2F)s1 65568914 SLGRYLLVBBMIDX-UHFFFAOYSA-N 343.405 1.228 0 40 EDAB C[C@H]1CN(CC2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C[C@@H](C)O1 65587845 FUDGXAFJNHQGQV-BBWFWOEESA-N 337.508 1.819 0 40 EDAB C[C@H](C(=O)NC(N)=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 65548235 NKWRUZXHTHVQKM-LLVKDONJSA-N 347.394 1.664 0 40 EDAB O=C(CC1CCCCC1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 65613056 OXFIFBYNDWYZKP-UHFFFAOYSA-N 331.416 1.630 0 40 EDAB CCOC(=O)[C@@H](C)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 66568402 CFGSZBCUETXVNC-OAHLLOKOSA-N 339.480 1.204 0 40 EDAB O=C(CCNC(=O)c1n[nH]c(=O)c2ccccc12)Nc1cccnc1 69819305 UVGNSOFUFABPJZ-UHFFFAOYSA-N 337.339 1.077 0 40 EDAB O=C(Cc1cn2ccsc2n1)N[C@H]1CCN(c2ccccc2)C1=O 68205470 BFLYQUAJIYVMDG-AWEZNQCLSA-N 340.408 1.860 0 40 EDAB C[C@@H](C(=O)O[C@H](C)C(=O)N1CCOCC1)N1CCc2ccccc2C1 70040138 KTGJVWDSCYCNEB-LSDHHAIUSA-N 346.427 1.224 0 40 EDAB O=C1[C@H](N2CCC[C@H]2[C@H](O)C(F)(F)F)CCN1CC(F)(F)F 71897120 YYAPXSRIHJGESF-YIZRAAEISA-N 334.260 1.537 0 40 EDAB CC[C@H](CC(=O)N1CC[C@]2(C1)NC(=O)NC2=O)c1ccc(C)cc1 72291703 MZSCVPHZUZZIGE-FZKQIMNGSA-N 329.400 1.689 0 40 EDAB Cc1ccc(CNC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)s1 98018886 XYWCGFHUJBKZGR-UHFFFAOYSA-N 333.417 1.348 0 40 EDAB CC(C)c1cccc(NC(=O)NCc2cn(CCO)c(=O)nc2O)c1 1615056432 XKSUTUCPLHVGMU-UHFFFAOYSA-N 346.387 1.386 0 40 EDAB CC(=O)N1CCN(C2COC2)C[C@H](Cc2ccc3ncccc3c2)C1 1615156613 WXQGKVIARUOHLZ-QGZVFWFLSA-N 339.439 1.956 0 40 EDAB C[C@H](O)CCCN[C@@H]1CCO[C@]12CCN(C(=O)OC(C)(C)C)C2 1616036462 VXYMPDBNWHSIDW-VBQJREDUSA-N 328.453 1.906 0 40 EDAB CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 5978878 ISLKTCKDKJMDAX-OLZOCXBDSA-N 342.461 1.975 0 40 EDAB CC1(C)[C@]2(C(=O)NN3Cc4ccccc4C3=N)CC[C@@]1(C)C(=O)O2 5325146 RRWDHNIYNFXVTN-ZWKOTPCHSA-N 327.384 1.981 0 40 EDAB COc1ccc([C@H]2N[C@H](C(=O)O)Cc3nc[nH]c32)c(OC)c1OC 5634310 NVAMUYXVNLMYHW-CMPLNLGQSA-N 333.344 1.124 0 40 EDAB O=C(Cc1ccc(F)cc1)NCCc1nc(-c2cccnc2)n[nH]1 12114789 AOUAXTCFHRVLGY-UHFFFAOYSA-N 325.347 1.907 0 40 EDAB C[C@H](NC(=O)OCc1ccccc1)c1ccc(=O)n(CC(=O)O)n1 15021779 GMEKLKOKCLAGDA-NSHDSACASA-N 331.328 1.315 0 40 EDAB Cc1nnc2ccc(N3CCN(C(=O)NC4CCCCC4)CC3)nn12 13700466 HYOFZQFXHCEVHO-UHFFFAOYSA-N 343.435 1.597 0 40 EDAB Cc1nc(N2CCN(C(=O)Cc3c(C)noc3C)CC2)nc(O)c1F 1888846831 XVDCMBPIQVETOQ-UHFFFAOYSA-N 349.366 1.126 0 40 EDAB Cc1nnc(N2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)s1 1888875823 HWLLFQJLNOXKBQ-VXGBXAGGSA-N 342.432 1.165 0 40 EDAB COc1ccccc1S(=O)(=O)NCC1(O)CSCCSC1 1888876265 ZCLLDOLUKKQAEJ-UHFFFAOYSA-N 349.499 1.185 0 40 EDAB Cc1csc(CNC(=O)Cc2csc(N3CCCC3=O)n2)n1 21482832 GFBMKSPHCIGODU-UHFFFAOYSA-N 336.442 1.894 0 40 EDAB O=C1NCCC[C@@H]1N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776009641 UXCWLOAEDCFUCA-NSHDSACASA-N 342.321 1.028 0 40 EDAB O=C(NCCN1CCOCC1)c1cc(Cl)c2c(c1)OCCCO2 40465333 NLRSVNZXLOVCQY-UHFFFAOYSA-N 340.807 1.563 0 40 EDAB Cc1nc2ccccn2c1C(=O)NCCn1ccc2ccoc2c1=O 253473773 YJGJAAKGVHEYIF-UHFFFAOYSA-N 336.351 1.981 0 40 EDAB CC1CC(C(=O)N2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)C1 1565545623 JIOJLPCAYBVADM-YLZDHBLKSA-N 336.432 1.593 0 40 EDAB CCN1C(=O)C2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)c2ccccc21 1565545932 RWCAUMWWKDGKAU-HALDLXJZSA-N 340.423 1.806 0 40 EDAB O=C(c1csnn1)N1CCc2ncnc(-c3ccncc3)c2CC1 1565551297 OHPXOXWVXNAMEN-UHFFFAOYSA-N 338.396 1.631 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1 4517917 SAGRCLDFARQELL-UHFFFAOYSA-N 344.348 1.226 0 40 EDAB COCCn1c(=O)[nH]c(=O)c2c(-c3ccc4c(c3)OCO4)ccnc21 10339041 ROGFJHICBRZUCW-UHFFFAOYSA-N 341.323 1.127 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2ccccc2F)C1 2055772073 UOLAHXMNRBCRCM-QGZVFWFLSA-N 330.363 1.400 0 40 EDAB O=C(Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O)Nc1ccccc1 20488818 UJIBCDOXCXKCNB-UHFFFAOYSA-N 339.326 1.777 0 40 EDAB COc1ccccc1NC(=O)Cn1nc(-c2ccccn2)n(C)c1=O 206639785 YMHSFIONSVRJFK-UHFFFAOYSA-N 339.355 1.291 0 40 EDAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)O)CC1)NC2=O 12086501 PFTHLOGLPAYYQO-DIFFPNOSSA-N 331.372 1.332 0 40 EDAB CCOc1ccc(-n2ncc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2C)nn1 40487964 DFWMRDXGDKDRPB-TXEJJXNPSA-N 345.403 1.619 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 40525024 MBTHJBVYUWDYAT-VIFPVBQESA-N 343.305 1.849 0 40 EDAB CCN1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1 40527722 NZSRRVCLGBWUGX-UHFFFAOYSA-N 343.468 1.522 0 40 EDAB COc1ccccc1OCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 40553721 VPRJQAUXOPIUFN-CQSZACIVSA-N 342.399 1.649 0 40 EDAB C[C@H](CNC(=O)CN1C(=O)CCOc2ccccc21)N1CCCC1 40522583 BAAPQFASKXKPMX-CQSZACIVSA-N 331.416 1.403 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)CCN1C(=O)COc2ccccc21 40522623 QQAPISFMKQUFBO-ZDUSSCGKSA-N 328.372 1.204 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)NCCc2cccc3ccccc23)CCO1 51686169 FITYBPCABYZKIB-INIZCTEOSA-N 327.384 1.278 0 40 EDAB NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cccc(F)c2)n1 413975 WFWQZYIQFUGKGA-UHFFFAOYSA-N 340.318 1.217 0 40 EDAB CN(CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)S(C)(=O)=O 46213840 XTNSNDPVPQHOSU-MRXNPFEDSA-N 336.457 1.946 0 40 EDAB CN1C[C@@]2(CCN(C(=O)c3ccccc3N3CCOCC3)C2)OC1=O 72156222 ZVOQGDVKLMNDPJ-GOSISDBHSA-N 345.399 1.190 0 40 EDAB CCOc1ncccc1CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 32816624 KCTQPWOYPCEGGP-NSHDSACASA-N 345.321 1.507 0 40 EDAB CCCCOc1ccc(C(=O)NC(=S)Nc2nnn(CC)n2)cc1 6051176 SFBZNLXLNOCUMP-UHFFFAOYSA-N 348.432 1.999 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccn2)CC1 6583331 KEJBIZZIUNSYLW-UHFFFAOYSA-N 349.394 1.209 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCc1ccc(F)cc1 102697837 TWUYIYRLPHJSDO-GASCZTMLSA-N 330.359 1.436 0 40 EDAB CNC(=O)Cc1ccc(NCC(=O)Nc2ccc(C(N)=O)cc2)cc1 29937172 MDHLROCVPVKRBJ-UHFFFAOYSA-N 340.383 1.125 0 40 EDAB C[C@H](O)CN1CCC(CNCc2ccccc2N2CCOCC2)CC1 69349790 GURUFRXUWIXIFD-KRWDZBQOSA-N 347.503 1.706 0 40 EDAB CN(c1ccccc1)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 53644394 STECFDZWCALUCH-UHFFFAOYSA-N 349.364 1.981 0 40 EDAB CN(Cc1cccs1)C(=O)CN1CCN(c2nccs2)CC1 54621144 SOUYXVDHJXEAGM-UHFFFAOYSA-N 336.486 1.985 0 40 EDAB CCC(=O)N[C@H](CCSC)C(=O)NC[C@H]1Cc2ccccc2O1 54773448 XXBKNGJTUBCPOW-ZIAGYGMSSA-N 336.457 1.754 0 40 EDAB Cc1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)nc1 12522252 LAMDSRCFBBORBO-UHFFFAOYSA-N 330.388 1.973 0 40 EDAB CNC(=O)[C@@]12CCO[C@@H]1CCN(CCOc1ccc(Cl)cc1)C2 107710333 ZNICAYWMDFRXMC-NVXWUHKLSA-N 338.835 1.946 0 40 EDAB COc1cc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)ccc1OCC(N)=O 106638185 UTAIOTGJYLIAIC-SGMGOOAPSA-N 332.400 1.725 0 40 EDAB CN(C)[C@H](CNC(=O)CCc1nc(-c2cccnc2)no1)C1CC1 47922087 DZPHNSMOSHWSMR-CQSZACIVSA-N 329.404 1.521 0 40 EDAB O=C(Nc1ccccc1)C1CCN(C[C@@H](O)CN2CCOCC2)CC1 25300223 VICBREDYVDSYLN-GOSISDBHSA-N 347.459 1.030 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2Cc2ccccc2)C1 25359016 DTIIQDAZOBVYBK-DLBZAZTESA-N 329.444 1.417 0 40 EDAB O=C(NCCN1CCOCC1)c1ccn(COc2ccc(F)cc2)n1 27972374 WVUWRDMDOVDYFG-UHFFFAOYSA-N 348.378 1.121 0 40 EDAB O=C(CCNC(=O)c1ccoc1)Nc1cccc(N2CCOC2=O)c1 24985424 ISDQFPBLBSXZGK-UHFFFAOYSA-N 343.339 1.995 0 40 EDAB COc1ccc(C)cc1N(CC(N)=O)S(=O)(=O)c1ccccc1 22274700 ZKLKXXRSYNJVTI-UHFFFAOYSA-N 334.397 1.684 0 40 EDAB NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 57593620 LMTGYTMFGXAGHN-KRWDZBQOSA-N 329.444 1.938 0 40 EDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOC[C@H]2C)c1 26845403 OMPFCHDDLBWXOD-SECBINFHSA-N 333.793 1.536 0 40 EDAB CCN(C)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 108500907 ZTUWFVCZXWVJLB-PMPSAXMXSA-N 331.464 1.682 0 40 EDAB COc1ccccc1/C=C/C(=O)N1CCC(NS(C)(=O)=O)CC1 44893900 YDPHCOXINLAAMP-BQYQJAHWSA-N 338.429 1.249 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2c(-c3ccccc3C)noc2=O)CCO1 58290418 CZVVAISANSOFPG-CYBMUJFWSA-N 331.372 1.449 0 40 EDAB O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NC1CCCC1 44948221 RAVMRCMNGFUZSZ-UHFFFAOYSA-N 336.335 1.933 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccnc1-n1cncn1 44906835 KMUYXYHZJJPMPM-UHFFFAOYSA-N 337.339 1.663 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)NC[C@H](C)N2CCOCC2)n1 44954614 JEMDUXUDCNCOIQ-BBRMVZONSA-N 337.468 1.156 0 40 EDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)O)c12 3356936 GENJQCQDMUDBOT-SNVBAGLBSA-N 335.385 1.675 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CNCc1c(C)nn(C)c1N(C)C 58421750 PTJCOSKDULQXNW-MRXNPFEDSA-N 346.475 1.941 0 40 EDAB CCCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CCCOC)C(=O)[C@H]13)O2 2234629 TZEOWIQTROOJRX-ZXFNITATSA-N 337.416 1.538 0 40 EDAB CC(C)N(CCCNC(=O)c1cccc2cn[nH]c12)S(C)(=O)=O 48234685 IKEROWAKPVSXIB-UHFFFAOYSA-N 338.433 1.353 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CCN(C[C@@H]2CCCO2)CC1 59320248 SLYWYNRRTGKOGQ-IRXDYDNUSA-N 345.443 1.496 0 40 EDAB Cn1ccnc1[C@H](NC(=O)c1ccc[nH]c1=O)c1ccccc1F 29087805 RQEAZAZDJRIKQE-CQSZACIVSA-N 326.331 1.767 0 40 EDAB COc1cccc([C@H](NC(=O)N2CCC(O)CC2)c2nccn2C)c1 48355624 JOKDYYNGTXCIFZ-INIZCTEOSA-N 344.415 1.684 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1cccc(N2CCCC2=O)c1 48300858 WVWRYWYWFJFHAX-UHFFFAOYSA-N 349.394 1.829 0 40 EDAB CCC[C@@H](C)NC(=O)COC(=O)c1nn(C)c(=O)c2ccccc12 3597547 SLVYHRQRQMNQMJ-LLVKDONJSA-N 331.372 1.395 0 40 EDAB Cn1nc(Br)c2c(N[C@H]3CCc4ncnn4C3)ncnc21 69493493 NABRSEZATKCXLR-ZETCQYMHSA-N 349.196 1.144 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCCC[C@@H]1Cn1cncn1 69488644 MRGRORMVRPUDSO-CQSZACIVSA-N 331.424 1.122 0 40 EDAB Cc1ccc2nc(C)c(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)cc2c1 69419284 CGZAGPFKVCGMGL-INIZCTEOSA-N 337.379 1.871 0 40 EDAB CC(C)c1nc2c(n1C)CCN([C@H](C)C(=O)Nc1ncccn1)C2 69489441 YSEYFZKEZUBKMH-GFCCVEGCSA-N 328.420 1.719 0 40 EDAB Cc1cc(C(=O)N(C)CC(N)=O)c2ccc(Br)cc2n1 49248459 FRANLEDIVXULBH-UHFFFAOYSA-N 336.189 1.863 0 40 EDAB CC(=O)Nc1ccc(CC(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 17118897 LCXDDGRTGLDELE-BETUJISGSA-N 348.399 1.367 0 40 EDAB C[C@@H](NCC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)N(C)C 69585076 VRTNPPCRVXOXJT-CRAIPNDOSA-N 333.476 1.498 0 40 EDAB COC(=O)N1CCCN(S(=O)(=O)Cc2ccccc2Cl)CC1 69561865 QKXVWVBCVOXZJL-UHFFFAOYSA-N 346.836 1.944 0 40 EDAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCn1ccnc1C 69813383 FENNNNVLMLTNLL-GOSISDBHSA-N 340.427 1.671 0 40 EDAB COc1ccc(C(=O)NCCN2CCN(CCOC(C)C)CC2)cc1 69697141 UCFBPKNUHCINLM-UHFFFAOYSA-N 349.475 1.468 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CCOc1ccccc1F 14136295 IQKCRSXVEKKHBY-NSHDSACASA-N 334.399 1.731 0 40 EDAB Cc1ccc(C(=O)N2CCC(N(C)c3cccnn3)CC2)c(=O)n1C 69894613 HVLRKZGXJZRRRP-UHFFFAOYSA-N 341.415 1.225 0 40 EDAB CCCCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 6592616 STUSNQAEFPCGIP-UHFFFAOYSA-N 340.445 1.718 0 40 EDAB CCOc1ncccc1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 69893448 IWWMYGQOTIEGIL-GFCCVEGCSA-N 341.433 1.024 0 40 EDAB O=S(=O)(CCNc1ccnc(-c2ccccc2)n1)N1CCOCC1 69900215 XMWPHDZMDRNBSH-UHFFFAOYSA-N 348.428 1.218 0 40 EDAB NC(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 5772683 JYNYHFCWBGKSPV-UHFFFAOYSA-N 345.472 1.890 0 40 EDAB O=C(Cn1cnnn1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 66687468 PJNLDXLESKWUAE-GFCCVEGCSA-N 325.731 1.066 0 40 EDAB CCOCCCNC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976155 NPHGGPZATHEMCJ-OAHLLOKOSA-N 336.407 1.760 0 40 EDAB Cc1cccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c1 4942176 FHTFXOAUNYOXMX-FESDDOHESA-N 329.352 1.674 0 40 EDAB CCOC(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 67471836 ZKQVXEPYKHOKCP-SJORKVTESA-N 346.427 1.614 0 40 EDAB Cc1ccc(F)c(-n2nnnc2Cn2nc(-c3ccco3)oc2=O)c1 71185820 NRTSJEFRGRRIRF-UHFFFAOYSA-N 342.290 1.568 0 40 EDAB CN1CCN(c2cccc(Cl)c2CNC(=O)[C@@H]2CCCO2)CC1 81376685 UMGLRXUCIGIICZ-INIZCTEOSA-N 337.851 1.887 0 40 EDAB COc1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)cc1Br 8133559 DYBHJLPGZYGLRA-JTQLQIEISA-N 341.205 1.795 0 40 EDAB O=C(CCC(=O)N1CCN(c2ncccn2)CC1)c1cccs1 8112834 POKCPDNZQZFILI-UHFFFAOYSA-N 330.413 1.850 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccco2)CC1 16736979 RNRAYEWXSHEQND-UHFFFAOYSA-N 325.390 1.391 0 40 EDAB CC(C)n1cc(CN2Cc3ncn(C)c3[C@H](C(=O)N(C)C)C2)cn1 306144964 ZTKXQNUQHIGUJQ-CQSZACIVSA-N 330.436 1.385 0 40 EDAB COc1cc([C@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)ccc1O 9316431 CCMKMMGCIKUNOR-MRVPVSSYSA-N 333.369 1.680 0 40 EDAB COCc1ccccc1CNC(=O)C[S@@](=O)c1ccc(C)cn1 97016098 UYFCKIBTTWOPIZ-QHCPKHFHSA-N 332.425 1.960 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(N3CCCC3)nn2)cn1 71799264 FCNOFTFIINRINL-OAHLLOKOSA-N 326.404 1.788 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cn1 97046885 XRCSCJWITKREBN-AWEZNQCLSA-N 333.413 1.846 0 40 EDAB Cc1cc(NC(=O)CNC(=O)C2(O)CCC2)ccc1Br 97097235 LPLKIMQKFKFHRV-UHFFFAOYSA-N 341.205 1.727 0 40 EDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC[C@@H]1Cn1cccn1 71866299 LPPIQPRFZINBCK-GFCCVEGCSA-N 341.371 1.336 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 71871295 OSUKJSXVRORLND-CYBMUJFWSA-N 334.464 1.654 0 40 EDAB CC1CCN(C[C@@H](O)CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)CC1 71825052 AHMIIVCZXLQMNV-NVXWUHKLSA-N 345.443 1.937 0 40 EDAB CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 71883201 IBCPQEUHCNQVHX-OAHLLOKOSA-N 345.447 1.306 0 40 EDAB C[C@@H](NC(=O)CCC(N)=O)C(=O)c1ccc(Br)cc1 71894573 RPADCNKCQYRVJQ-MRVPVSSYSA-N 327.178 1.402 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@@H](n3cncn3)C2)c2ccccc2N1 72272169 AYJDKJCJNFYHCA-OCCSQVGLSA-N 325.372 1.568 0 40 EDAB O=C1NC(=O)[C@]2(CCN(C(=O)[C@H]3C[C@H]3c3ccccc3Cl)C2)N1 72290707 PWKSBPGOBQWBHQ-XMZIXOGTSA-N 333.775 1.254 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1C 83836733 DBLHTVHAIIFAOY-HUUCEWRRSA-N 335.429 1.456 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)CO[C@H]3CCC[C@H](C)C3)CCO2)n1 83829895 AYALIUUPPBHRNW-IHRRRGAJSA-N 336.436 1.862 0 40 EDAB Brc1ccc(Cc2nnnn2CCn2cccn2)cc1 71907478 PBSXVMKBZNLBTQ-UHFFFAOYSA-N 333.193 1.923 0 40 EDAB Cc1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)s1 71927911 UNZKKUCOGSRJCO-ZDUSSCGKSA-N 342.486 1.310 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)CCN(C)C)ccc21 71924123 GQRJXHCWPKLZMN-GFCCVEGCSA-N 339.461 1.214 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3nc4c(F)cccc4[nH]3)CCO2)n1 72253547 ZQILTDSDNHFVJN-ZDUSSCGKSA-N 344.394 1.811 0 40 EDAB Cc1ccc(C(=O)NCCNCc2c(C)nn(CCO)c2C)cc1F 97159949 SYOKLSMJLGPYRD-UHFFFAOYSA-N 348.422 1.459 0 40 EDAB Cc1nccc(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)n1 97115747 UEADSWSHALNCIT-UHFFFAOYSA-N 328.420 1.027 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(CCCc2cn[nH]c2)C1 84304152 AARQDSKTMJVLFD-MRXNPFEDSA-N 343.479 1.555 0 40 EDAB CN(CCNC(=O)NC[C@@](C)(O)c1cnn(C)c1)Cc1ccccc1 76021282 FMIPYGYXDWRBAW-GOSISDBHSA-N 345.447 1.059 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 76045807 WCPIFKSHCCGLQH-AWEZNQCLSA-N 348.378 1.875 0 40 EDAB O=C(CN1CCCS1(=O)=O)Nc1ccc(OC2CCCC2)cc1 84405515 QPJCSQNKTPIBDM-UHFFFAOYSA-N 338.429 1.982 0 40 EDAB O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(Cl)c(Cl)c1 95349393 UFFBPQKDPDBLBQ-NSHDSACASA-N 348.230 1.808 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC(c2ccccc2)=NO1 95392585 AOZGFGSPXNNDSP-DLBZAZTESA-N 335.363 1.623 0 40 EDAB CN(CCNc1cnn(C)c(=O)c1Br)CC(F)(F)F 95396194 XKBWUMZZUPNHRB-UHFFFAOYSA-N 343.147 1.449 0 40 EDAB CC(C)CNC(=O)CN1CCCC[C@H]1c1nc(-c2ncccn2)no1 95394264 LIQHDXWGKJOCJQ-ZDUSSCGKSA-N 344.419 1.826 0 40 EDAB O=C(NCc1ccc(-n2ccnc2)nc1)NC1CCN(C2CC2)CC1 95351164 JQMLWDPHUAUWPJ-UHFFFAOYSA-N 340.431 1.693 0 40 EDAB CCCn1cc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2CC)cn1 84760622 GWTBUNXRWRLWSB-LSDHHAIUSA-N 328.482 1.443 0 40 EDAB CCN(Cc1ccc(O)cc1)c1ncnc2c1cnn2CC(=O)OC 84777461 RCHNGPIHLQLBIQ-UHFFFAOYSA-N 341.371 1.731 0 40 EDAB CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 95449815 NYCAALJHKRYLMV-IXDOHACOSA-N 334.391 1.825 0 40 EDAB Cc1nc(COc2ccccc2C(=O)N2C[C@H](C)[C@@H](N(C)C)C2)no1 78894678 QVUGOUMVANSPMJ-WFASDCNBSA-N 344.415 1.979 0 40 EDAB C[C@@H](C(=O)Nc1cccc(F)c1)[S@](=O)CCCC(=O)N(C)C 95965820 OMMZEFPQVWIUMP-SAHAZLINSA-N 328.409 1.770 0 40 EDAB C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccnc2c(C(N)=O)cnn12 95978976 YOJUKVLGQGYYJQ-JTQLQIEISA-N 343.412 1.593 0 40 EDAB CC(C)=C[C@@H]1[C@@H](C(=O)OC[C@@H]2CNC(c3ncccn3)=NO2)C1(C)C 85983650 FSRXUASZJXZGLN-MJBXVCDLSA-N 344.415 1.908 0 40 EDAB CCOC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)(C)C 75108321 FAKJXSAOUMNCDO-WDEREUQCSA-N 330.425 1.994 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@H]2COCc1ccccn1 306128561 HENSBHJLAYXLBY-AWEZNQCLSA-N 340.383 1.320 0 40 EDAB NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 22756336 FWGFKPRJAPZIJM-UHFFFAOYSA-N 344.389 1.415 0 40 EDAB COCc1n[nH]c(CNC(=O)N[C@@H]2CCCc3ccccc3C2)n1 1551218830 IQKNHDRXFKNUQU-CQSZACIVSA-N 329.404 1.698 0 40 EDAB Cc1cc(CN2Cc3cncn3[C@H](C(=O)NCC3CC3)C2)n(C)n1 306135869 PDIRSUZOEIFKSC-INIZCTEOSA-N 328.420 1.008 0 40 EDAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 408700765 LLHVSQBKSLFXDF-UHFFFAOYSA-N 347.396 1.799 0 40 EDAB c1ccc(OC[C@H]2CN(c3ccc4nncn4n3)Cc3ccnn32)nc1 306134764 NXMUTFHIHCWUTR-CQSZACIVSA-N 348.370 1.356 0 40 EDAB CCOc1cccc(Cl)c1Cn1cnc2c1c(=O)n(C)c(=O)n2C 521394952 DYIYBTXYGYRCMH-UHFFFAOYSA-N 348.790 1.534 0 40 EDAB c1cc(CN2CCC[C@@H](CN3CCOCC3)C2)nc(N2CCCC2)n1 36741515 OFRYJYDNBNQRGR-KRWDZBQOSA-N 345.491 1.621 0 40 EDAB COCCNc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)O 217564660 KYWZEGKVCJRHIN-UHFFFAOYSA-N 330.406 1.520 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCC(=O)N[C@H]2C)c(C)n1-c1cnccn1 529266830 CWPLTUAWDKCGAJ-FZMZJTMJSA-N 327.388 1.281 0 40 EDAB Cn1cc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cn1 79264832 AZHSUMIQCICBSL-UHFFFAOYSA-N 335.429 1.447 0 40 EDAB Cc1cc(N2CCO[C@H](c3ccc(CCC(N)=O)cn3)C2)ncn1 72378794 XOVREFWJSNKISR-HNNXBMFYSA-N 327.388 1.176 0 40 EDAB CCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)COC 217528570 SIANWKABWJUIPD-SNVBAGLBSA-N 330.406 1.520 0 40 EDAB O=C(CSCc1ccccc1)N1CCN(CCn2cccn2)CC1 62021990 QBKTUEMOKMNNKE-UHFFFAOYSA-N 344.484 1.961 0 40 EDAB Cc1nnc(-c2cccc(C(=O)N[C@H](C)CCN3CCOCC3)c2)o1 73619998 RDEOIJSGRHMOTG-CYBMUJFWSA-N 344.415 1.886 0 40 EDAB COC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 223809715 DTMJLLAZCLFFMG-SECBINFHSA-N 326.399 1.758 0 40 EDAB CCc1cccc(C(=O)N2CCO[C@@H](CNC(=O)C3(CC)CC3)C2)n1 1065274554 QKGKLMZYQASYQD-HNNXBMFYSA-N 345.443 1.791 0 40 EDAB CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)COC 574215906 PNHYVCRHJUJDIJ-HNNXBMFYSA-N 331.416 1.872 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223357556 IMXNPNRGZRSVKP-KGLIPLIRSA-N 346.383 1.202 0 40 EDAB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1CCc1nc2cc(Cl)ccc2[nH]1 226305036 DKJBITWPTIXNIW-GBOPCIDUSA-N 345.786 1.921 0 40 EDAB O=C(NCCCc1nc(-c2ccc(F)cc2)no1)N1CC[C@H](CO)C1 195560285 CNBASEYYDXEJOB-LBPRGKRZSA-N 348.378 1.832 0 40 EDAB COc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)ncn1 225529355 LRGCHUDVDHRYFM-UHFFFAOYSA-N 340.383 1.650 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 96426098 DAQMWGIHURUNQF-SNVBAGLBSA-N 325.390 1.520 0 40 EDAB COc1ccc(C)cc1NC(=O)CCNC(=O)c1cc(C)nn1C 96192443 JNSUTSJMCHOMOC-UHFFFAOYSA-N 330.388 1.804 0 40 EDAB NS(=O)(=O)c1ccc(N2C(=O)C[C@H](c3ccccc3)C2=O)cc1 95851319 QHKLEMHDWCRNBK-CQSZACIVSA-N 330.365 1.381 0 40 EDAB Cn1cc(CN2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)cn1 96047415 YMYWQPWYDGQVEW-HNNXBMFYSA-N 326.466 1.200 0 40 EDAB CC1=CCC[C@H](C)[C@H]1CN1CCN(CC(=O)N2CCOCC2)CC1 97104776 SVXBUARNBBITGY-ROUUACIJSA-N 335.492 1.455 0 40 EDAB C[C@H](CC(=O)N(C)c1ccccc1)NC[C@@H]1CN2CCC[C@@H]2CO1 96477151 URIJSQSFNFCDBF-KBAYOESNSA-N 331.460 1.881 0 40 EDAB C[C@H](CNC(=O)NC[C@@H]1CN(C)CCN1C)Sc1ccccc1 96440124 ORXRRIIBIMFKOO-HUUCEWRRSA-N 336.505 1.712 0 40 EDAB Cc1ccc(N2CC[C@@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)nn1 96039785 PBTORDMCDVDKKN-MAUKXSAKSA-N 348.447 1.265 0 40 EDAB Cc1ccccc1-n1nccc1NC(=O)NCCNC(=O)C1CC1 96491553 OMLBLXAVBRLZDB-UHFFFAOYSA-N 327.388 1.828 0 40 EDAB CCc1nn(C)c2[nH]nc(NC(=O)c3cccc(-n4cnnn4)c3)c12 96406465 NRLMIQVJNUXGKM-UHFFFAOYSA-N 337.347 1.087 0 40 EDAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1 96036897 LFWPVVJNEUSHNI-INIZCTEOSA-N 346.475 1.851 0 40 EDAB Cn1nc(C(=O)N2CCOCC2)c2c1CN(Cc1cccs1)CC2 96187481 IGAILCLTESZXBY-UHFFFAOYSA-N 346.456 1.512 0 40 EDAB O=C(NC1CC(F)(F)C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 580388915 GXGNQBMQOKCYCS-UHFFFAOYSA-N 344.383 1.999 0 40 EDAB CC(C)C(=O)N[C@@H]1COCCC12CCN(Cc1cnn(C)c1)CC2 96215357 GLBQQOWTZGASPF-MRXNPFEDSA-N 334.464 1.563 0 40 EDAB O=C(O)CCC(=O)NC[C@H]1Cn2c(-c3ccccc3)cnc2CO1 96296423 CJXDSMUNILBVEX-ZDUSSCGKSA-N 329.356 1.430 0 40 EDAB biogenic,in-vitro COC[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(OC)cc2)O1 96186043 FUJANIBJCHADRW-BPUTZDHNSA-N 341.429 1.652 0 40 EDAB Cc1ccc(C(=O)N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)cn1 96183375 UXABBCKLGXRHBZ-JKSUJKDBSA-N 339.399 1.158 0 40 EDAB O=C1NCCN(C(=O)[C@H]2CCOC2)[C@H]1c1ccccc1C(F)(F)F 97237921 QJCHOIAXDDJEEW-GWCFXTLKSA-N 342.317 1.741 0 40 EDAB O=C(c1cocn1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109033 TUGRDJHTPMEGNK-DYVFJYSZSA-N 329.356 1.375 0 40 EDAB Cc1ccnc(OC[C@]23COC[C@H]2CN(Cc2cnn(C)c2)C3)n1 96109124 DOWZUCBWGUQQAR-WBVHZDCISA-N 329.404 1.046 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@H](CNC(=O)c4ccco4)CC[C@H]32)cn1 248158174 WGUDOSHJBBSDQT-ZMSDIMECSA-N 344.415 1.423 0 40 EDAB Cn1nccc1C(=O)NCC[C@@H]1CCOC12CN(Cc1ccco1)C2 248019442 HFYWGASZGIBICT-CQSZACIVSA-N 344.415 1.424 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)c2cccnc2)C1 257208297 BLNLTTCYQRVMIM-LBPRGKRZSA-N 348.428 1.303 0 40 EDAB C[C@](O)(CCc1ccccc1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 252479507 BGPJFLLENZSOEI-LSDHHAIUSA-N 331.334 1.896 0 40 EDAB CNc1cc(C[C@@H]2COCCN(C(=O)c3cccnc3)C2)ncn1 257255326 KHBCAARYVYJYGF-ZDUSSCGKSA-N 327.388 1.245 0 40 EDAB O=C(Cc1cccnc1)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O 257279049 OEUJYTNPQYFQQP-PSBWJHGTSA-N 342.395 1.072 0 40 EDAB CN(C)CC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 252487223 HTEKZULZEBPGTQ-UHFFFAOYSA-N 343.225 1.181 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@]2(N)CO)cc1 252516148 QHWBIMUMVFPTSP-BRWVUGGUSA-N 335.400 1.764 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ns[nH]c1=O 585120974 APEBPWFFQBSVCC-LBPRGKRZSA-N 332.429 1.568 0 40 EDAB Cc1ccncc1[C@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 585140112 JUUVISGNYGRJFJ-AWEZNQCLSA-N 334.445 1.919 0 40 EDAB COC(C)(C)CCN1CCN(c2ccccc2S(N)(=O)=O)CC1 585139946 DWJLNPBZUGQBFV-UHFFFAOYSA-N 341.477 1.271 0 40 EDAB CC1(C)C[C@H](O)CCN(C(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)C1 585132139 OYAMANNYSHODSG-QLFBSQMISA-N 341.448 1.697 0 40 EDAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc23)n1 257308766 TYAJALASACOSNL-CQSZACIVSA-N 337.383 1.942 0 40 EDAB COc1cc(=O)n2c(c1C(=O)NCc1cccnc1N(C)C)CCC2 253398150 GPEBGCPBGFNKIE-UHFFFAOYSA-N 342.399 1.194 0 40 EDAB O=C(O)c1ccc(O[C@@H]2CN(C(=O)CC3CCOCC3)C[C@H]2O)cc1 257290092 QBNYFKUYARIFMO-HZPDHXFCSA-N 349.383 1.152 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2cscn2)CC1 257338665 YYJZQJWZJIXUDO-UHFFFAOYSA-N 345.428 1.589 0 40 EDAB CNC(=O)[C@@]1(C)CN(C(=O)c2ccc(N3CCCC3)cc2)CCO1 257299150 ROYALERIYSWNBP-GOSISDBHSA-N 331.416 1.264 0 40 EDAB CN1CCC(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 42386393 PFXQDOIDJBQVPW-KRWDZBQOSA-N 343.471 1.678 0 40 EDAB Cc1cc(-c2cncc([C@@H]3CCCN3S(=O)(=O)N(C)C)n2)[nH]n1 257339610 ZCMLQMIHJZBGPP-AWEZNQCLSA-N 336.421 1.118 0 40 EDAB COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)c1ccc(F)cc1Cl 276991212 FBLLLYWGHBJJIS-SNVBAGLBSA-N 339.772 1.070 0 40 EDAB C[C@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)CC1CC1 585097427 JVCBNBBXBLBVRW-LBPRGKRZSA-N 330.432 1.798 0 40 EDAB CN1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)[C@H]3[C@H]4COC[C@H]43)C2)C1 585102840 KITFODNCTAEYGT-YUAHOQAQSA-N 334.460 1.086 0 40 EDAB O=C(C[C@@H]1CN(C(=O)CC2CC2)Cc2ccnn21)NCc1ccco1 585095797 LKBYXPADFVYDPS-OAHLLOKOSA-N 342.399 1.866 0 40 EDAB O=C(CC1(O)CCCCC1)N1CCO[C@](CO)(Cc2ccccc2)C1 585278715 RHHRFGVGKSIATA-HXUWFJFHSA-N 347.455 1.904 0 40 EDAB Cc1noc(CCC(=O)N2CC[C@](O)(COc3ccccc3)C2)n1 585275837 HMDAYGHFFXKBOL-QGZVFWFLSA-N 331.372 1.353 0 40 EDAB O=C(C1CC(O)C1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 585108820 NXPWYMYNKQLAHD-YOTSKQKMSA-N 332.400 1.128 0 40 EDAB C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 44719606 PEYHXXIFRYQIEV-QWRGUYRKSA-N 331.821 1.658 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@@H]2c2cc(C)on2)ccc1=O 54709260 IDADFTOLEIDGDE-OAHLLOKOSA-N 331.372 1.768 0 40 EDAB CN1N=C(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)CCC1=O 55945108 DMBJNVJNOYZTLX-ZBFHGGJFSA-N 333.363 1.770 0 40 EDAB COc1cc(Cl)ccc1C(=O)NC1CCN(S(C)(=O)=O)CC1 65475323 UUYJBCXIRYVFCR-UHFFFAOYSA-N 346.836 1.502 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 69230456 KZIDRLHVSLUCME-SFHVURJKSA-N 326.396 1.987 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NC[C@@](C)(O)C3CC3)CC2=O)cc1C 62021696 QXARBESLJTVIPB-AUUYWEPGSA-N 330.428 1.934 0 40 EDAB COCc1ccccc1CNC(=O)CNC1(C(N)=O)CCCCC1 75105620 ZZLIILKZRMAUMK-UHFFFAOYSA-N 333.432 1.227 0 40 EDAB CC(C)CCNS(=O)(=O)c1cccc(NCc2ccn(C)n2)n1 1615051015 TVOKGWIUHXOAIF-UHFFFAOYSA-N 337.449 1.752 0 40 EDAB O=C(Nc1ccc2nccn2c1)N1CCCS(=O)(=O)C[C@@H]1C1CC1 1548453230 OGMYABNQJCEKRJ-CQSZACIVSA-N 348.428 1.765 0 40 EDAB O=C(O)Cc1nnc2c(Nc3ccc(Cl)cc3)nc3nonc3n12 5513730 SJLGYFCIDANZTH-UHFFFAOYSA-N 345.706 1.685 0 40 EDAB COc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc(OC)n1 11765023 BXAIUKWAHLALMP-UHFFFAOYSA-N 346.362 1.595 0 40 EDAB COc1ccc2cc(C)c3nn(CCNC(=O)C(C)C)c(=O)n3c2c1 12146379 FXSHUWLPWWEUEO-UHFFFAOYSA-N 342.399 1.738 0 40 EDAB Cn1nccc1C(=O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 12156131 GHJOUCAQEOVHBM-UHFFFAOYSA-N 341.367 1.884 0 40 EDAB O=C1CC[C@@H](c2nc(C3CCN(Cc4ccccn4)CC3)no2)N1 12337307 NCBWSCXUBBIKFU-AWEZNQCLSA-N 327.388 1.795 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 13582114 OVUHYPLMBZBJRF-UHFFFAOYSA-N 347.352 1.026 0 40 EDAB NC(=O)c1ccc(C(=O)OCC(=O)NCCc2cccs2)cc1 14252702 OIQBFPPPLJNYAV-UHFFFAOYSA-N 332.381 1.363 0 40 EDAB Cc1cc(N2CCOCC2)nc(SCc2cn3cccnc3n2)n1 16283960 WZHFDTPPLXMEKR-UHFFFAOYSA-N 342.428 1.957 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCC(c3ccn(C)n3)CC2)c1 575606372 GIJGXKISGVZCBA-UHFFFAOYSA-N 337.449 1.766 0 40 EDAB CC(C)c1ccc(OCC(=O)N2CC[C@H](N3C(=O)CNC3=O)C2)cc1 575605256 IECRNSHWNVOCLH-AWEZNQCLSA-N 345.399 1.342 0 40 EDAB Fc1cnc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)nc1 1888842612 YXQRGEOIYWDQES-UHFFFAOYSA-N 329.383 1.333 0 40 EDAB O=C(NC1CN(c2cnccn2)C1)c1cc(Br)cs1 1888843918 YWTSEEKLQRSVLH-UHFFFAOYSA-N 339.218 1.919 0 40 EDAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)c2cn(C)cn2)C3)nc1 1888864236 XJKAVFBRCDTQBL-KSSFIOAISA-N 341.415 1.840 0 40 EDAB CCN=c1cc(C)nc(N2CCN(c3ncnc(CC)c3F)CC2)[nH]1 1888913255 LUYYSSOAWOMSSL-UHFFFAOYSA-N 345.426 1.457 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)CC[C@@H]2CCCO2)c1 27345286 IMRGUZILDOKLBF-ZDUSSCGKSA-N 326.418 1.170 0 40 EDAB CN1N=C(C(=O)OCc2nc(-c3ccc(F)cc3)no2)CCC1=O 32623077 LWNJINQAQXINFE-UHFFFAOYSA-N 332.291 1.527 0 40 EDAB Cc1nc(N2CCC[C@H](COc3ncccn3)C2)c2cnn(C)c2n1 1775996238 GVHNSKICIBTEBE-ZDUSSCGKSA-N 339.403 1.757 0 40 EDAB O=C(N[C@H]1CC[C@H](Oc2ccccn2)CC1)c1cc(O)nc(O)n1 239846194 KYVPVSJGKUFVJB-XYPYZODXSA-N 330.344 1.403 0 40 EDAB O=C(c1cc(-c2ccco2)n[nH]1)N1CC[C@@H](N2C(=O)CSC2=O)C1 238817048 BSFOVOHQLATKRF-SECBINFHSA-N 346.368 1.580 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@@H](c3ncon3)C2)cc1C 238873696 NNAAOAQKMGABSF-GFCCVEGCSA-N 337.401 1.955 0 40 EDAB COCCN1C(=O)CC[C@]12CCCN(C(=O)C1(F)CCC1)CC2 1614948268 XYDQKMHTWVKWGG-INIZCTEOSA-N 326.412 1.899 0 40 EDAB Cc1cnc(C)c(OC2CCN(Cc3ccn(C)c(=O)c3)CC2)n1 2086939598 RYLKANMQDLZDIM-UHFFFAOYSA-N 328.416 1.836 0 40 EDAB Cc1cccc(CO[C@H]2CN(C(=O)c3cc[nH]n3)[C@@H]3CCCO[C@H]23)n1 1565549598 VEPQHSNUSDTAOV-IKGGRYGDSA-N 342.399 1.702 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)CC[C@H]2C1 1565552994 GEVYRWSMVBRPJC-SWLSCSKDSA-N 348.834 1.780 0 40 EDAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(=O)O)cc1 4162478 ZZPCEVXJWMOFJJ-ZDUSSCGKSA-N 334.328 1.202 0 40 EDAB CN(C)S(=O)(=O)NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9036609 MRZXKFOEOGFXTC-JTQLQIEISA-N 331.825 1.089 0 40 EDAB CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1 9827389 IWEYQJIFPUQQPA-UHFFFAOYSA-N 348.428 1.242 0 40 EDAB COCCNC(=O)Cn1c(CO)cnc1SCc1ccccc1 9827556 UVCCBYMPLZMWLP-UHFFFAOYSA-N 335.429 1.430 0 40 EDAB CCn1/c(=N\C(=O)c2ccnn2C)sc2cc3c(cc21)OCCO3 11695147 BDAHTWFUGYRHGB-FBMGVBCBSA-N 344.396 1.969 0 40 EDAB CCn1nnc2c(SCC(=O)N(C)c3ccccc3)ncnc21 13532251 RNSANXDKXNHUMQ-UHFFFAOYSA-N 328.401 1.996 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCCCn2ncccc2=O)cc1C 23137451 YJVXJGRNDHKXPF-UHFFFAOYSA-N 335.429 1.537 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(c2nc3cccnc3n2C)CC1 2086865407 VDMLIKZPJBJWAJ-CYBMUJFWSA-N 330.436 1.003 0 40 EDAB O=C(Cc1ccc(NS(=O)(=O)C2CC2)cc1)NCC(F)(F)F 44037921 QBDXFUHYPPRKGT-UHFFFAOYSA-N 336.335 1.812 0 40 EDAB Cc1cc2c(cc1NC(=O)c1cnoc1C)N(C)S(=O)(=O)N2C 575613261 QUUHKKNINDSGKR-UHFFFAOYSA-N 336.373 1.675 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1cnn(C[C@H]2CCCCO2)c1 390827076 DTUALAJYGARYOL-CYBMUJFWSA-N 340.405 1.858 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@@]1(O)CCOc2ccccc21 75158180 PYMPLMCZDGWGSG-KRWDZBQOSA-N 346.408 1.151 0 40 EDAB COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(N)=O)ccc1O 16042914 WZMLIZQVNWKMNA-DOPJRALCSA-N 334.416 1.554 0 40 EDAB biogenic C[C@H]1CCCC[C@@H]1N(C)C(=O)C1=NN(c2ccccc2)C(=O)CN1 33018348 DCERQLPUJYUYHN-ZFWWWQNUSA-N 328.416 1.973 0 40 EDAB CCN(Cc1ccco1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 40070272 FQLFUGWDHOAMIX-INIZCTEOSA-N 340.383 1.748 0 40 EDAB CCOC(=O)c1c[nH]n(C2CCN(C(=O)c3ccccc3)CC2)c1=N 101142419 GOVGLSZQNXSTLW-UHFFFAOYSA-N 342.399 1.950 0 40 EDAB COc1ccc(NC(=O)n2ccc(C(=O)N3CCOCC3)n2)cc1 28523 KHXMJWPHKIBSDA-UHFFFAOYSA-N 330.344 1.444 0 40 EDAB NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 557588 CNETYFFYCPUAFX-UHFFFAOYSA-N 343.364 1.641 0 40 EDAB Nc1nc(Cl)cc(NC[C@]2(N3CCOCC3)CCSC2)n1 29626117 XXGZDNQVXCJXNE-CYBMUJFWSA-N 329.857 1.332 0 40 EDAB CCn1c(=O)c2c(nc(SCc3ccccc3)n2C)n(C)c1=O 887122 PJIATDXIXYQMTP-UHFFFAOYSA-N 330.413 1.746 0 40 EDAB O=C(NCC1CCS(=O)(=O)CC1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 101792754 RDHFVHCRAAGVLT-HRCADAONSA-N 334.441 1.449 0 40 EDAB COc1ccc(C(=O)Cn2nnc3ccccc3c2=O)c(OC)c1 3617909 BBCQIRLKFJRRNC-UHFFFAOYSA-N 325.324 1.692 0 40 EDAB CC[C@H](C)NC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C 6800283 ZCJQVVMFERGREN-LBPRGKRZSA-N 335.429 1.773 0 40 EDAB COc1cc2nc(CN3CCCC[C@@H]3CO)[nH]c(=O)c2cc1OC 32819308 XLXIUBZGGIBJGO-LLVKDONJSA-N 333.388 1.287 0 40 EDAB Cn1nc(C(=O)NCc2ccco2)cc1C(=O)NCc1ccco1 2798186 JCISPJSZXJERSG-UHFFFAOYSA-N 328.328 1.466 0 40 EDAB O=C1CNC(C(=O)N2CCC[C@@H]2c2ccncc2)=NN1c1ccccc1 32954956 WCTXRSRZNIDOCN-MRXNPFEDSA-N 349.394 1.695 0 40 EDAB Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(=O)n(C)n1 32936190 BYKUFRBNLFXWNN-GFCCVEGCSA-N 329.356 1.581 0 40 EDAB Cc1nc(NC(=O)c2cc(OCC(=O)N(C)C)n(C)n2)sc1C 57355277 DMDSAEFLKSGCGN-UHFFFAOYSA-N 337.405 1.213 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(OC)c2c(c1)OCCO2 33211746 LRVYVZAAFPNWRW-LBPRGKRZSA-N 334.372 1.207 0 40 EDAB COC(=O)C1(NC(=O)Cn2c(=O)oc3ccccc32)CCCCC1 22503801 LLQPFBBRCIWCCY-UHFFFAOYSA-N 332.356 1.587 0 40 EDAB COc1ccc(COC[C@H](O)CN2CCN(CC(C)C)CC2)cc1 69420369 IMVLXUAHNNOJPE-GOSISDBHSA-N 336.476 1.846 0 40 EDAB Cc1nnc(SC[C@H](O)COc2ccc3ccccc3c2)n1N 61716049 LJGBOQNUKXXQMQ-CQSZACIVSA-N 330.413 1.986 0 40 EDAB CN(CC(N)=O)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 47628668 NDJHFMWGAKCYHM-UHFFFAOYSA-N 340.355 1.444 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 23155559 KPZGKBHMMYXGRZ-ZDUSSCGKSA-N 339.413 1.505 0 40 EDAB CN1CCN(CCCCNS(=O)(=O)c2cccc(Cl)c2)CC1 69420460 PRDFYXGQYPEKTH-UHFFFAOYSA-N 345.896 1.646 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)COc2ccccc2C)C1 57318974 JHLZNQFQBAHQLI-HZPDHXFCSA-N 348.443 1.764 0 40 EDAB O=C(NCc1ccc(-n2cccn2)cc1)c1ccnc(-n2cncn2)c1 54673700 IIUHNBRALZELHP-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB CN(C)C(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101420721 LBJDIAGKFWHPTR-ZOFXXKQRSA-N 338.407 1.493 0 40 EDAB CCCC(=O)N1CCC(C(=O)NCCN2C[C@H](C)O[C@H](C)C2)CC1 55114297 FCMUILJZOPPEKT-GASCZTMLSA-N 339.480 1.251 0 40 EDAB Cc1ccc(-c2noc(CN3CCN(C[C@H](C)O)[C@@H](C)C3)n2)cc1 106867964 YSCDUKOCBLQNTI-GJZGRUSLSA-N 330.432 1.932 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)C1=NN(c2ccccc2)C(=O)CN1 25301293 XZYFVQVBEYSEGB-GFCCVEGCSA-N 326.356 1.277 0 40 EDAB Cc1cc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nc(N)n1 43533678 YRLXLHRKYXAUDL-UHFFFAOYSA-N 327.436 1.916 0 40 EDAB C[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 107346344 PHBSFGQJCLCLFF-QWHCGFSZSA-N 339.461 1.783 0 40 EDAB Cc1cc(C)c(C)c(OCCCNC(=O)N2CC[C@@H](C(N)=O)C2)c1 43856884 QVIUJSZTQSGHFT-OAHLLOKOSA-N 333.432 1.898 0 40 EDAB O=C1c2ccccc2C(=O)N1CCn1cnc2ccsc2c1=O 26017600 CKWCDISJVNILGU-UHFFFAOYSA-N 325.349 1.754 0 40 EDAB O=C(CN1CCC[C@@H](C(=O)O)C1)Nc1ccc(Br)cn1 35297123 BDKFJWFIJHIVNX-SECBINFHSA-N 342.193 1.579 0 40 EDAB Cc1cnc(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)cn1 57288033 VMYMCLGCTUNHPN-OAHLLOKOSA-N 345.472 1.565 0 40 EDAB CSCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 24069139 GBVQNJUOFZDIOW-UHFFFAOYSA-N 335.473 1.749 0 40 EDAB C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H](C)Cn1cncn1 108474679 ZNXUPLDEPPNTGW-ZMSDIMECSA-N 342.447 1.486 0 40 EDAB CC[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br 26976783 GXGTYBOTIZHNRZ-SSDOTTSWSA-N 335.223 1.625 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCCc2cccc(F)c2)n(C)c1 27140317 WAQVZOFUZQCGPL-UHFFFAOYSA-N 339.392 1.045 0 40 EDAB Cc1noc(N)c1C(=O)OCC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 12693021 IUDMKMSMAXDURF-QMMMGPOBSA-N 347.327 1.328 0 40 EDAB O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](CCO)C1 96007685 KNKPMLRLICBIMT-SNVBAGLBSA-N 338.351 1.884 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCOC2)c(Cl)c1 58282601 PNYAHHLUHLEGMC-JTQLQIEISA-N 347.820 1.832 0 40 EDAB COc1c(C)cc(CN(C)Cc2cc(=O)n(C)c(=O)n2C)cc1C 58356794 HWBBDWJQPUKUBS-UHFFFAOYSA-N 331.416 1.341 0 40 EDAB Cn1ccnc1[C@H](NC(=O)Cn1ccccc1=O)c1ccccc1F 48235106 UITNWONAHMCXFL-QGZVFWFLSA-N 340.358 1.627 0 40 EDAB Cc1cc2ncn(C[C@@H](O)CN3CCc4cncnc4C3)c2cc1C 69531884 CMZYEIBNUHSLOW-INIZCTEOSA-N 337.427 1.862 0 40 EDAB Cc1cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)c(C)n1CC1CC1 69599710 JCSBEVZMMDUCCZ-CYBMUJFWSA-N 333.432 1.492 0 40 EDAB NC(=O)NC(=O)CN(CCCO)C(c1ccccc1)c1ccccc1 69530893 CDPVXBGOQJDISD-UHFFFAOYSA-N 341.411 1.655 0 40 EDAB CC1CCC(NC(=O)CN(C)CC2CCN(C[C@H](C)O)CC2)CC1 69818267 ZLBYHVAOFWVZCA-PQUAAJSLSA-N 339.524 1.706 0 40 EDAB Cc1cc(Br)ccc1NC(=O)CN(CC(N)=O)C(C)C 8532792 ZDHZOUFRJDYFSV-UHFFFAOYSA-N 342.237 1.892 0 40 EDAB CCOc1ccccc1C(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 4147727 KMBNQASMEILRAN-JLUCKKNBSA-N 326.352 1.537 0 40 EDAB CC(=O)Nc1ccc2c(c1)nc(CCCNC(=O)[C@@H]1CCCO1)n2C 13683434 XFEASWKDXOATQQ-INIZCTEOSA-N 344.415 1.760 0 40 EDAB Cc1ccc(NC2CCN(C(=O)Cn3nc(C)cc3C)CC2)nn1 69920447 QTZBFYXZFWPNBQ-UHFFFAOYSA-N 328.420 1.701 0 40 EDAB CCCOc1ccc(NC(=O)COCC(=O)NCCN(C)C)cc1 6138807 DNPCPILVTZSNHJ-UHFFFAOYSA-N 337.420 1.108 0 40 EDAB Cc1cc(=O)oc2cc(OC(=O)C[C@H]3CCS(=O)(=O)C3)ccc12 4392804 JRXYTOCLUWQEAI-LLVKDONJSA-N 336.365 1.832 0 40 EDAB C[C@H](NC(=O)NCc1ccnc(N2CCCCC2)c1)c1nncn1C 65390748 UNQBRDQNDQHWLZ-ZDUSSCGKSA-N 343.435 1.761 0 40 EDAB Cc1[nH]c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2c1C 8706226 BIWZAYXXERPFEV-UHFFFAOYSA-N 341.346 1.480 0 40 EDAB O=C(NCCNc1ccccn1)N[C@@H]1CCCc2c1cnn2CCO 65610591 ONCMWTUOYGOIOA-CQSZACIVSA-N 344.419 1.059 0 40 EDAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 28207373 NXVJYMHXOGFZBZ-GFCCVEGCSA-N 328.434 1.539 0 40 EDAB O=C1[C@H](Sc2nnnn2C2CCOCC2)CCN1c1ccccc1 68056266 UOZUZHWGINDWRF-CQSZACIVSA-N 345.428 1.922 0 40 EDAB COC(=O)c1cccc(OC[C@H](O)CNCCCOC(C)C)c1 7718629 JJKUPPLPPLOHSN-OAHLLOKOSA-N 325.405 1.618 0 40 EDAB COc1cc([C@@H]2NC(=O)c3ccccc3N2C)ccc1OCC(N)=O 19356515 XUEUGVVIMKCNFT-QGZVFWFLSA-N 341.367 1.438 0 40 EDAB CCc1nnc2n1CCN(C(=O)C[C@@H]1OCCc3sccc31)C2 71186403 AMNHVCZUIZUNOR-LBPRGKRZSA-N 332.429 1.948 0 40 EDAB Cc1csc(CNc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)n1 91065476 YITVBBAFWFVUMV-CHWSQXEVSA-N 349.460 1.896 0 40 EDAB NC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CN1CCOCC1 19831119 GLBHOFDFQYITJT-UHFFFAOYSA-N 337.763 1.456 0 40 EDAB CCC(CC)(CNC(=O)[C@H]1CCCCN1C(C)C)S(C)(=O)=O 96441311 MYBXGMQHGXCDEE-CQSZACIVSA-N 332.510 1.969 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)CNC(=O)c1ccc2c(c1)OCO2 23078956 BPBWEJMEHLRIEW-UHFFFAOYSA-N 344.342 1.943 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(Cc2cnn(-c3ccccc3)n2)C1 71841095 WMRJCGFQXBDRJB-MRXNPFEDSA-N 326.404 1.257 0 40 EDAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N1CCNC(=O)CC1 71839519 HOCKBAQWIBIKCC-UHFFFAOYSA-N 344.390 1.519 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 71893692 CQALFQLKYBOYPT-CYBMUJFWSA-N 342.399 1.470 0 40 EDAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@H](C(N)=O)C1 71812676 IFXJQXMPPGYPKZ-PWSUYJOCSA-N 325.359 1.291 0 40 EDAB CCc1nc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)no1 71856948 MFOGOVDPHOWKTM-UHFFFAOYSA-N 342.325 1.763 0 40 EDAB NC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)CC1 84136600 VGZYFFQJZWSYSK-GFCCVEGCSA-N 333.392 1.401 0 40 EDAB COC(=O)[C@H](NC(=O)c1ccc(OCC2CC2)nc1)c1ccccn1 83884358 UZSCTFTUFDMJRR-MRXNPFEDSA-N 341.367 1.910 0 40 EDAB CCNC(=O)NC(=O)COC(=O)CNc1cccc(C(F)(F)F)c1 71914215 RLANMSODRDMHFJ-UHFFFAOYSA-N 347.293 1.506 0 40 EDAB O=S(=O)(NCCN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccs1 97034770 QQBHMLIHRMLHKU-BNOWGMLFSA-N 342.486 1.574 0 40 EDAB CCN(CC)C[C@@H]1CCN(S(=O)(=O)c2cccc3nonc23)C1 89967925 OYNDDNRYIGUKMS-LBPRGKRZSA-N 338.433 1.575 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)CN1C(=O)CCc3ccccc31)C2 72275528 OKKMMXCCQJMLQS-HNNXBMFYSA-N 338.411 1.602 0 40 EDAB CCc1ccc(NC(=O)C(=O)NCc2nc(-c3ccco3)n[nH]2)cc1 72291121 PBPWSZJRDRBSCE-UHFFFAOYSA-N 339.355 1.882 0 40 EDAB COC(=O)c1cn(C2CCN(Cc3sc(C)nc3C)CC2)nn1 97135259 VVTILKSMIORGGK-UHFFFAOYSA-N 335.433 1.975 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1cc(Cl)c(Cl)n1C)CC2 97198075 CVZANWSCWOHKHH-MRVPVSSYSA-N 328.203 1.977 0 40 EDAB Cn1nnc2cc(C(=O)NCc3nnc(C4CC4)n3C3CC3)ccc21 97115123 UBRBEFRJGOBFNT-UHFFFAOYSA-N 337.387 1.702 0 40 EDAB Cc1ccc(SCC(=O)N2CCN(CC[S@](C)=O)CC2)cc1 76020359 OWYIJIONVXPTNC-JOCHJYFZSA-N 340.514 1.610 0 40 EDAB CCCn1nc2c(cc1=O)CN(CCC(=O)NC1CCCCC1)CC2 76064583 IOVHYVSXTOHDCU-UHFFFAOYSA-N 346.475 1.850 0 40 EDAB Fc1ccc(OCCN2CCO[C@H](CNc3cccnn3)C2)cc1 76049822 WAXPNRTZQHWUAA-MRXNPFEDSA-N 332.379 1.807 0 40 EDAB C[C@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)c1ccc2c(c1)OCCCO2 84651774 YCWOFNDYLJBAMA-NWDGAFQWSA-N 346.383 1.563 0 40 EDAB CC[C@H]1CN(C(=O)Cc2c(C)noc2Cl)C[C@@H]1N1CCOCC1 84735888 VWQOVFQCWMQXKX-JSGCOSHPSA-N 341.839 1.748 0 40 EDAB CC[C@@H](NC(=O)N1CCC[C@H]1C(=O)NC1CC1)c1c(C)nn(C)c1C 95436961 LCNDUHBDBJCYON-CABCVRRESA-N 347.463 1.941 0 40 EDAB Cc1ccc2cccnc2c1S(=O)(=O)N1CCC[C@H](C(N)=O)C1 95465714 AVPZCJRTISOFRZ-ZDUSSCGKSA-N 333.413 1.429 0 40 EDAB CCOCC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 78725732 FEOAQGKVXSSYIM-LBPRGKRZSA-N 346.305 1.843 0 40 EDAB O=C(NCCNC(=O)c1cccnc1)N[C@@H]1CCc2c(O)cccc21 73654984 SVJNNFFSCJQPPL-OAHLLOKOSA-N 340.383 1.504 0 40 EDAB O=C(O)[C@@H]1COCCN1C(=O)Cc1cccc(Br)c1 88375989 PDYNIAROPKIPMK-NSHDSACASA-N 328.162 1.304 0 40 EDAB CN1C[C@H](C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1=O 95954310 YANPRXLFGQMYDJ-CQSZACIVSA-N 333.407 1.385 0 40 EDAB CS(=O)(=O)c1nc(C(=O)OCc2cncs2)c2ccccn12 95997320 CQOMLDHWTJCDGB-UHFFFAOYSA-N 337.382 1.551 0 40 EDAB Cc1cnn(C2CN(c3ncnc4c3nnn4-c3ccccc3)C2)c1 75128720 KBVCRTQITUTXCU-UHFFFAOYSA-N 332.371 1.777 0 40 EDAB Cn1cc(Br)cc(NC(=O)NC[C@@H]2CCCO2)c1=O 75107757 HTPPGLBGWVPZIT-VIFPVBQESA-N 330.182 1.448 0 40 EDAB O=C1CC[C@H](C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)N1 89885004 PKFXYRTXCQQCMK-ZIAGYGMSSA-N 332.791 1.521 0 40 EDAB CNC(=O)Cn1cnc(NC(=O)c2cccc(-c3ccoc3)c2)n1 89816482 FEOVXHYUORUNPT-UHFFFAOYSA-N 325.328 1.536 0 40 EDAB CC(C)CNC(=O)[C@@H](C)NCc1nnc2n1CCC[C@@H]2C(F)(F)F 89840226 XPDNURNEQURAHB-MNOVXSKESA-N 347.385 1.968 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)Cc2ccco2)cc1C(N)=O 26880848 RUHXRXYGLVLVFC-SNVBAGLBSA-N 338.385 1.297 0 40 EDAB C[C@@H]1CN(C(=O)C2=NO[C@]3(CCCNC3)C2)C[C@H](c2ccsc2)O1 1548545659 QMGREQFIFHNGJE-SRCQZFHVSA-N 349.456 1.935 0 40 EDAB Cc1ccc(-n2[nH]c(C(=O)N3CC[C@H](c4cnccn4)C3)cc2=O)cc1 1558526236 YGWDTDCQEYPRDC-AWEZNQCLSA-N 349.394 1.894 0 40 EDAB C[C@H](C(=O)N1CCC(n2ccnn2)CC1)c1ccc2c(c1)OCO2 551894203 FCBYKSBCOOUROH-LBPRGKRZSA-N 328.372 1.974 0 40 EDAB CS(=O)(=O)N1Cc2cccc(Br)c2C[C@@H]1C(=O)O 519545607 LMVHBPNPSOKBLW-SNVBAGLBSA-N 334.191 1.220 0 40 EDAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](C)n1cnnn1)CC3 524732833 RVIMEOIPRBWNNV-JTQLQIEISA-N 326.360 1.309 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)Nc1cc(F)ccc1-n1cccn1 79028836 ASJKFQRJBVXFIZ-LLVKDONJSA-N 329.339 1.813 0 40 EDAB O=C(NC1CC1)c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 36708448 SZHUQBXDZHGSDR-NSHDSACASA-N 335.385 1.395 0 40 EDAB COc1ccc2nnc(CCCC(=O)Nc3nc(C)cs3)n2n1 71287849 VRBKODQEMVMNAI-UHFFFAOYSA-N 332.389 1.859 0 40 EDAB CC(C)[C@H](N)C(=O)N1CC[C@@H](N(C(=O)OC(C)(C)C)C2CC2)C1 79427479 ZKEHJKUFKTYOLP-KGLIPLIRSA-N 325.453 1.970 0 40 EDAB CN(C)c1cccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72367552 QHPRTQYXJNSEGZ-ZDUSSCGKSA-N 335.433 1.407 0 40 EDAB O=C(CN(C[C@H]1CCCO1)C(=O)[C@@H]1CC1(Cl)Cl)N1CCCC1 72534129 GXQOMNPPNHUNEU-NEPJUHHUSA-N 349.258 1.810 0 40 EDAB CC(C)[C@H](NC(=O)Cc1cccc(F)c1F)C(=O)N1CCOCC1 87377142 OBFRSBARCDWMAF-INIZCTEOSA-N 340.370 1.507 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H](Oc2cnccn2)C1 225473322 NFDULTJKALWNFM-AWEZNQCLSA-N 341.367 1.818 0 40 EDAB CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)c1C 195574218 OPKQKQSPYJAEOH-CQSZACIVSA-N 344.419 1.346 0 40 EDAB CC(C)Nc1nc2c(c(N(C)C)n1)CN(C(=O)N1CCCC1)CC2 96254060 TWTNMQZKIWMVGD-UHFFFAOYSA-N 332.452 1.937 0 40 EDAB O=C(NCCNC(=O)[C@H]1Cc2cc(F)ccc2O1)C1CCCCC1 96418238 BIQBICYDGFJNTD-MRXNPFEDSA-N 334.391 1.942 0 40 EDAB COC[C@@H]1CN(C(=O)c2cccc3c2OCCO3)Cc2cncn2C1 96207487 VPCDXDJTJKXSCR-CYBMUJFWSA-N 343.383 1.573 0 40 EDAB O=C([C@H]1CN(Cc2ccccn2)C[C@H]2OCC[C@H]21)N1CCCCO1 97953842 CUBNRPBXVKWGBW-YESZJQIVSA-N 331.416 1.473 0 40 EDAB O=C(N1CCCC1)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96048423 OXYJGIMTJFHRCX-WMLDXEAASA-N 331.420 1.728 0 40 EDAB CC(C)N(C)C[C@H]1OC[C@@H]2CCN(C(=O)NCc3cccnc3)C[C@H]12 96038590 UYFFYGIMFLKPJD-OKZBNKHCSA-N 346.475 1.968 0 40 EDAB NC(=O)COc1cccc(CNC(=O)[C@H]2CCc3ccccc3C2)c1 578136545 RZWBZQXCCVIUJP-KRWDZBQOSA-N 338.407 1.972 0 40 EDAB Cn1cc([C@@H]2COC3(CCN(C(=O)c4cccnc4)CC3)C2)cn1 96073059 JLXYTMZYHXCLIE-HNNXBMFYSA-N 326.400 1.994 0 40 EDAB O=C([C@H]1CCCO1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 96224469 RXQSFZKDKKSFGF-VQIMIIECSA-N 343.427 1.602 0 40 EDAB Cc1nc(CN2C[C@H]3OC[C@H](C(=O)NCc4ccco4)[C@H]3C2)cs1 96220343 XMJKFNYKIKHGQT-OWCLPIDISA-N 347.440 1.808 0 40 EDAB COCC(=O)N1CC[C@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244374 YLOPRKXYLNIPLL-LJQANCHMSA-N 339.395 1.790 0 40 EDAB CN(C)C(=O)CN1CCC2(CCN(C(=O)c3ccsc3)CC2)C1=O 96046854 QTQOQXIYRFTIJD-UHFFFAOYSA-N 349.456 1.291 0 40 EDAB O=C(c1cnoc1)N1CC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 96107637 NGUROHLEYJEGKA-RDJZCZTQSA-N 329.356 1.660 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCn3nccc3C2)cc1F 244933150 CDRRMGUAAHFKAL-LLVKDONJSA-N 339.392 1.714 0 40 EDAB CCc1cc(C(=O)NC[C@]2(O)CCCN(c3cc(C)ncn3)C2)no1 257320228 VVWBMSORFQJPAD-QGZVFWFLSA-N 345.403 1.097 0 40 EDAB COCCC(=O)N1CCC[C@@H](c2nc(C)cc(-c3nccn3C)n2)C1 257298901 RNTSMIJEFFOWSB-CQSZACIVSA-N 343.431 1.928 0 40 EDAB Cn1nc(C(=O)N2CC[C@H](c3noc(-c4ccco4)n3)C2)ccc1=O 253473441 UXEPPEXVWQABMM-JTQLQIEISA-N 341.327 1.053 0 40 EDAB Cc1ncccc1O[C@H]1CCN(C(=O)c2ncccn2)CC[C@@H]1O 257230505 GCPAOBDUOSTLPG-ZFWWWQNUSA-N 328.372 1.225 0 40 EDAB COCC(=O)N1CC[C@@H](c2ccnc(Nc3ncccc3C)n2)C1 257238317 HKKYCGNFGUHZOU-CYBMUJFWSA-N 327.388 1.886 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2n[nH]c3ccccc23)n1 257218991 DFDZJQOQEDWJOV-CQSZACIVSA-N 339.355 1.581 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccc(OC)cc1 257213191 CGNHBUIZYGHONE-AEFFLSMTSA-N 347.459 1.673 0 40 EDAB O=C(Nc1ccccc1F)C1CN(c2cc(-n3cccn3)ncn2)C1 253473910 ZTVFVWQRFKDUFX-UHFFFAOYSA-N 338.346 1.876 0 40 EDAB CCn1cc(C(=O)N2CCOC[C@H]2CCc2cnccn2)c(C)n1 257316995 VHWVYUOSBHNNFA-OAHLLOKOSA-N 329.404 1.475 0 40 EDAB Cc1cc(CC[C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)ccn1 257277295 NXGOMYHYVDBBRG-OAHLLOKOSA-N 334.445 1.909 0 40 EDAB CN1C(=O)CO[C@@H]2CCN(C(=O)c3cnc4ccccc4c3)C[C@@H]21 257239540 HPTYRVNBTUIOAL-JKSUJKDBSA-N 325.368 1.307 0 40 EDAB Cc1nccc([C@H]2CN(C(=O)c3cn4c(C)cccc4n3)CCO2)n1 257268839 MNKYQBOOEJLDBN-MRXNPFEDSA-N 337.383 1.955 0 40 EDAB Cc1ncncc1C(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 257271783 MZTIJJUGPPTTME-SJLPKXTDSA-N 327.384 1.830 0 40 EDAB CN1c2ccccc2N(CCNC(=O)CC(F)(F)F)S1(=O)=O 253473694 XEVICQJWHUSYHW-UHFFFAOYSA-N 337.323 1.256 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc3ncsc3c2)C[C@H]1C(=O)O 263145397 OUAMFOUMKAFEGZ-PSASIEDQSA-N 326.399 1.638 0 40 EDAB Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCCC[C@H](C)C1 278244109 LUTYEGGQXRYLSK-LBPRGKRZSA-N 339.461 1.974 0 40 EDAB CCN1CC[C@@H](NC(=O)NCc2ccn(-c3ccc(F)cc3)n2)C1 1615036773 OHSMBEMTTAQWRR-OAHLLOKOSA-N 331.395 1.905 0 40 EDAB O=C(C[C@@H]1OCCc2ccccc21)N[C@@H](Cc1ccncc1)C(=O)O 655599775 YJJJXQDMDILLEP-IRXDYDNUSA-N 340.379 1.898 0 40 EDAB Cc1nccc(O[C@H]2CCN(S(=O)(=O)c3ccccc3F)C2)n1 575613109 OYBSLNBPABGZOX-LBPRGKRZSA-N 337.376 1.766 0 40 EDAB Cc1cccc(OC[C@]2(O)COCCN(Cc3nccn3C)C2)c1 585268854 BLCSLFAZGWIOKZ-GOSISDBHSA-N 331.416 1.371 0 40 EDAB CN1C[C@@H](COc2cccnc2)CC12CN(C(=O)c1ccnnc1)C2 585093932 QGAPJXQBVURYFL-AWEZNQCLSA-N 339.399 1.097 0 40 EDAB COc1ccc(OC)c([C@@H](C)NC(=O)NCCNc2cnccn2)c1 43878343 LBUGQDQTJVOYEH-GFCCVEGCSA-N 345.403 1.966 0 40 EDAB COc1cccc(NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)c1 57396064 WDERSRZDMGUHPV-CQSZACIVSA-N 341.415 1.634 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3cccc3)c2)o1 58891833 XQCZSVVOCSIAIZ-UHFFFAOYSA-N 331.353 1.970 0 40 EDAB O=C(NCc1noc(-c2ccco2)n1)c1cc2c([nH]c1=O)CCC2 89797993 SYJSDOLFVXCLDX-UHFFFAOYSA-N 326.312 1.437 0 40 EDAB COc1nn(C)cc1C(=O)NCC1(c2ccsc2)CCOCC1 952985857 AIVOAFNNDYZTKR-UHFFFAOYSA-N 335.429 1.968 0 40 EDAB O=C(COc1ccccc1)OCCN1C(=O)c2ccccc2C1=O 5774842 KCZKPVZHYPCAOO-UHFFFAOYSA-N 325.320 1.905 0 40 EDAB Cc1ccccc1CNC(=O)CCc1c(C)nc2nc(N)nn2c1C 12916568 RGOURLKMSHYNJB-UHFFFAOYSA-N 338.415 1.881 0 40 EDAB CCOc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=CNN32)cc1OC 13125234 VUWLVWHMYUBSGB-CQSZACIVSA-N 329.360 1.112 0 40 EDAB CN1CCC(CCNC(=O)c2cccc(NS(C)(=O)=O)c2)CC1 156382303 CRQZNPPDUFKSSD-UHFFFAOYSA-N 339.461 1.520 0 40 EDAB O=C(Cn1cccn1)NC[C@H]1CC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O 643585181 PVXKGBQEJIBMMO-SRCQZFHVSA-N 349.818 1.871 0 40 EDAB COCC(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[nH]1 12125963 KADVLIHSFDOEHL-UHFFFAOYSA-N 331.376 1.541 0 40 EDAB CN(C)c1ccc(N2CCN(c3cc(C4CC4)ncn3)CC2)nn1 1888854104 SWJYHMRDPBLNTG-UHFFFAOYSA-N 325.420 1.537 0 40 EDAB Cc1nccc(N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)n1 1888863639 GKPYFQDKNYZBJU-GJZGRUSLSA-N 336.443 1.945 0 40 EDAB Cc1ccc(N2N=C(C(=O)N(C)Cc3cc(C)on3)NCC2=O)cc1 25139110 QBCUBYCMDSWATN-UHFFFAOYSA-N 341.371 1.200 0 40 EDAB Cc1cc(C(=O)NCCN2CCCCCC2=O)ccc1-n1cnnn1 32310106 NETUOEUHSPDIMV-UHFFFAOYSA-N 342.403 1.103 0 40 EDAB Cn1cnc(C(=O)N2CC3(C[C@H](NCc4cccnc4)CS3)C2)c1 2056224463 REZUXCBDPZDQTA-AWEZNQCLSA-N 343.456 1.305 0 40 EDAB COc1cnccc1C(=O)N1CC[C@@H]2CN(C(C)C)CCO[C@@H]2C1 1565545771 ONOVJGCYCWJVSC-RHSMWYFYSA-N 333.432 1.662 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1ccc2c(c1)OCO2 10256223 RSMOCTIDOMIFIL-CYBMUJFWSA-N 325.324 1.864 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2cccc(F)c2)C1 2055771791 YYLDOHSQEMMQPK-QGZVFWFLSA-N 330.363 1.400 0 40 EDAB COc1ccc(-c2cc(CNC(=O)c3ccc(=O)n(C)n3)no2)cc1 38753644 PWBCTNMUBKKYMM-UHFFFAOYSA-N 340.339 1.374 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1cnc2ccccc2n1 575615541 DYFBZXFJBZUPLU-UHFFFAOYSA-N 346.350 1.165 0 40 EDAB C[C@H]1CN(C(=O)CN2CCC[C@H](COc3cnccn3)C2)C[C@@H](C)O1 2298048297 NKQYWSXOUNGLJV-XHSDSOJGSA-N 348.447 1.203 0 40 EDAB O=C(COc1ccccc1)NCCNc1ccc(-n2cccc2)nn1 75172200 MVVPIMCBDDWWFF-UHFFFAOYSA-N 337.383 1.874 0 40 EDAB O=S(=O)(c1cc(F)ccc1F)N1CCN(C[C@H](O)C2CC2)CC1 85467097 XWZDTMUDLJLPCZ-AWEZNQCLSA-N 346.399 1.042 0 40 EDAB CCS(=O)(=O)N1CCC(NCc2cccc3c2OCO3)CC1 40119076 ZYEPPGXZWDUZHZ-UHFFFAOYSA-N 326.418 1.319 0 40 EDAB CC(=O)N[C@@H](C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1)C(C)C 40463378 PCCQTCYEWPFFDG-CQSZACIVSA-N 339.392 1.615 0 40 EDAB Cn1cc(S(=O)(=O)NCC(C)(C)N2CCc3ccccc3C2)cn1 40528196 DWNZGKFUBWNLBV-UHFFFAOYSA-N 348.472 1.535 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)NCc2cc(F)cc(F)c2)CC1 40511859 HLIFKMOMQOXGKM-UHFFFAOYSA-N 347.387 1.188 0 40 EDAB CCc1cc(NC2CCN(C(=O)c3ccco3)CC2)n2ncnc2n1 51622590 QUWVKNIEOYCUEC-UHFFFAOYSA-N 340.387 1.996 0 40 EDAB CCc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1OC 11566111 GGMARGQPDFRSBH-UHFFFAOYSA-N 326.418 1.110 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2csc(C(C)(C)C)n2)n(C)c1=O 32323536 FONNHOWYKLGALF-UHFFFAOYSA-N 333.417 1.236 0 40 EDAB O=C1C[C@@H](N(C(=O)CCc2ccc(Cl)s2)C2CC2)C(=O)N1 69744142 CDRQRNLGDNTWID-SNVBAGLBSA-N 326.805 1.740 0 40 EDAB C[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 32777730 DAIZQPFSFWKSJA-CQSZACIVSA-N 341.452 1.845 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N(C)C)C1 89954640 UCBDSRICVPGEQG-ZIAGYGMSSA-N 338.477 1.661 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2CCN(C[C@H]3CC=CCC3)C[C@@H]21 108528502 MHJWTUSHFYKBMR-SZMVWBNQSA-N 342.443 1.748 0 40 EDAB CCc1nnc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)s1 100502098 YXXZASXGWFPPDA-UHFFFAOYSA-N 330.369 1.910 0 40 EDAB CC(C)CN(CC(N)=O)CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 46513010 XAIUMLSQLFHXDD-NWDGAFQWSA-N 337.386 1.667 0 40 EDAB O=C(CCOC1CCOCC1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 102686719 COSXFBHPPHZKTI-BQFCYCMXSA-N 336.476 1.905 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)C[C@H](C)n3cccc3)CC2)n1 69704315 VFKONOLVFZYQHF-HNNXBMFYSA-N 343.431 1.977 0 40 EDAB C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C3[C@H]4CCC[C@H]34)CC2)C1 102694606 CBVJQVLDKORVGS-QAETUUGQSA-N 347.503 1.872 0 40 EDAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 572046 LADHIFPYGFKOMK-GQCTYLIASA-N 328.353 1.976 0 40 EDAB Cn1c(CNC(=O)Cn2cnc3ccccc3c2=O)nc2ccccc21 9645592 ISJMXYLSHHTHDM-UHFFFAOYSA-N 347.378 1.600 0 40 EDAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCN(CCO)CC1 75604565 KSTMCNXXFJOVBA-LBPRGKRZSA-N 346.349 1.609 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)c1cc(F)ccc1-n1cnnn1 12390941 YYYDHKWMTTUDKO-UHFFFAOYSA-N 327.275 1.782 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1F)N1CCN(CC(=O)NC2CC2)CC1 22929877 IYHGLOWFRDBWIJ-ZDUSSCGKSA-N 348.422 1.049 0 40 EDAB Cc1csc(CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)n1 42749363 RTGJPWBGEGTKPX-ZDUSSCGKSA-N 336.461 1.996 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)COCCc3ccccc3)CCO2)n1 76045304 AEGMQVIZOVAAEM-OAHLLOKOSA-N 330.388 1.272 0 40 EDAB O=C(NCCN1CCOCC1)N(Cc1ccco1)C[C@@H]1CCCO1 55087029 BJLLKNPDQFTBJK-INIZCTEOSA-N 337.420 1.302 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)CC1 76044564 CQFARRXXWDCLQI-CQSZACIVSA-N 332.404 1.869 0 40 EDAB CCOc1ncccc1C(=O)NCc1ccnc(N2CCOCC2)c1 25290242 NCEIQMWLESZWDZ-UHFFFAOYSA-N 342.399 1.642 0 40 EDAB Cc1ccc(CNC(=O)c2cccc(CNS(C)(=O)=O)c2)cc1 56068339 IFBLPWWFDDYCIS-UHFFFAOYSA-N 332.425 1.974 0 40 EDAB COc1cc(CNC(=O)N(C)Cc2ccc(C(N)=O)cc2)ccn1 26305557 DNLAPYQUPWNZCI-UHFFFAOYSA-N 328.372 1.531 0 40 EDAB CN(Cc1nc(=O)[nH][nH]1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108489510 JFFNYIIRTLPVMQ-PWSUYJOCSA-N 329.187 1.495 0 40 EDAB O=C(c1ccc(Cl)cc1)N1CCN(CCN2C(=O)CCC2=O)CC1 26924795 MOZDQYWLQQUPIL-UHFFFAOYSA-N 349.818 1.247 0 40 EDAB Cc1ccc(N2C(=O)C(=O)N(CC(=O)c3ccc[nH]3)C2=O)c(C)c1 27281447 FXVWAYCKOUUYLL-UHFFFAOYSA-N 325.324 1.810 0 40 EDAB CN(C)CCC(=O)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 306144413 ZENCKSCFGBIWOA-OAHLLOKOSA-N 333.432 1.420 0 40 EDAB COc1ccc(CC(=O)N2CCN(c3cnccn3)CC2)c(OC)c1 44896509 NSYHWVMJMZJVEU-UHFFFAOYSA-N 342.399 1.385 0 40 EDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)[C@H]1Cc2ccccc2O1 58289795 RKAUDOQGECCZLL-AEFFLSMTSA-N 348.468 1.314 0 40 EDAB COCCN(Cc1cccs1)C(=O)N[C@@H]1CCCCNC1=O 44968186 IBDXJBFMFYJDFM-CYBMUJFWSA-N 325.434 1.575 0 40 EDAB CN(C(=O)c1ccc(Cn2ccnc2)cc1)[C@H]1CCS(=O)(=O)C1 44942663 NAYNRJKDXXCQLF-HNNXBMFYSA-N 333.413 1.191 0 40 EDAB CC(C)Oc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 44908118 KJAQEQMNWGXZNB-UHFFFAOYSA-N 340.445 1.628 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)CSCc1ccncc1 58378334 CPMNGCOARHQPNF-HNNXBMFYSA-N 329.425 1.528 0 40 EDAB CNC(=O)COc1cccc(CNC[C@H]2CNc3cc(C)nn3C2)c1 58326296 UDQREKGIAWNAMZ-HNNXBMFYSA-N 343.431 1.148 0 40 EDAB CN1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1 3363328 ZIOZOJNIBADBEY-UHFFFAOYSA-N 340.427 1.511 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2cccnc2N2CCOCC2)cc1 28042121 AUQOHWUCVUUBSG-UHFFFAOYSA-N 347.440 1.705 0 40 EDAB CC(=O)N[C@@H](C(=O)NC[C@@](C)(O)c1cc(C)oc1C)C1CCCC1 78964004 SDGUKQGWHCUZIT-SJLPKXTDSA-N 336.432 1.915 0 40 EDAB CCCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCCOC)C(=O)[C@H]13)O2 2234628 TZEOWIQTROOJRX-LDDOYCOJSA-N 337.416 1.538 0 40 EDAB O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCC2)o1 36390601 TUCBUGDSUIWCGT-UHFFFAOYSA-N 327.387 1.773 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)NC(=O)CSc2n[nH]c(N)n2)[C@@H]1C 10716116 CGIDJJLECSUXLM-IWSPIJDZSA-N 326.426 1.130 0 40 EDAB COC[C@H](C)N(C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 48276420 XRSRTORSRDSSHT-NSHDSACASA-N 326.418 1.116 0 40 EDAB Cc1cc(N2CCN([C@H]3CCCCNC3=O)CC2)nc(C(C)C)n1 10988259 ZXWXRFABFWOCML-HNNXBMFYSA-N 331.464 1.699 0 40 EDAB C[C@@H](NC(=O)NCCCNS(C)(=O)=O)c1ccc(Cl)cc1 48275313 AUSKDMIDIAWCMG-SNVBAGLBSA-N 333.841 1.640 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)NCc1nc2ccccc2[nH]1 78907464 OGZYXXOHFDASPR-UHFFFAOYSA-N 333.351 1.589 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)c3cn4cccnc4n3)C2)no1 67940349 KVPYYGXQCPEZLQ-LLVKDONJSA-N 326.360 1.695 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)O[C@@H](C(N)=O)c2ccccc2)cc1 12820653 JEJCHERWZDMOAM-OAHLLOKOSA-N 347.392 1.615 0 40 EDAB COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Cl 408594143 SNJYNKOMZOECLM-RUDMXATFSA-N 345.138 1.979 0 40 EDAB COc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CCN(S(C)(=O)=O)C1 90796601 SEXJLBLQSVPQIU-DYVFJYSZSA-N 338.473 1.944 0 40 EDAB CS(=O)(=O)N1CC[C@@H](C(=O)NC2CC2)Oc2ccc(Cl)cc21 38850121 RFPBSISIQMTQOK-ZDUSSCGKSA-N 344.820 1.536 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccncc2)n2nc(C)nc2N1 13569256 OJWSWRDJZICJNH-HNNXBMFYSA-N 340.387 1.129 0 40 EDAB Nc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)s1 7988709 SEFUWOUAFSXJHW-UHFFFAOYSA-N 349.441 1.743 0 40 EDAB O=C(CNC(=O)c1ccc(Br)cc1)O[C@@H]1CCOC1=O 5020693 RGYNWMLTKNRXHZ-SNVBAGLBSA-N 342.145 1.038 0 40 EDAB O=C(NCc1cn2ccsc2n1)N1CC[C@@](O)(C(F)(F)F)C1 81473314 DFGSTGSMNIJBIN-NSHDSACASA-N 334.323 1.605 0 40 EDAB Cc1nc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)oc1C 65479847 YFHJCAJMPVIWBV-KRWDZBQOSA-N 343.339 1.987 0 40 EDAB COCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5438691 YOZMYFXFTUXXLD-UHFFFAOYSA-N 346.836 1.646 0 40 EDAB O=C(Nc1cccc(O)c1)C(=O)[C@@H]1C(=O)Nc2ccccc2[S@@]1=O 4671321 HLDPLTYQWPNUJU-JBEBIEQOSA-N 344.348 1.028 0 40 EDAB O[C@H](CNCCc1nnc2ccccn12)c1ccc2c(c1)OCO2 69157788 CTDHDELIGTUAKF-CYBMUJFWSA-N 326.356 1.324 0 40 EDAB O=C(CSCCCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 6654564 BMTLBGPSBUKEJO-CQSZACIVSA-N 327.471 1.656 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)c2ccc3c(c2)COC3)CC1 70016698 LRNXMUFEMKWKNK-UHFFFAOYSA-N 340.427 1.798 0 40 EDAB Cc1cn2nc(N3CCC[C@@H]3C(=O)N3CCSCC3)sc2n1 66818208 VDKCJDXFBFBGQI-LLVKDONJSA-N 337.474 1.643 0 40 EDAB CCn1c(C(=O)N2CCN(C(=O)COC)CC2)cc2ccccc21 69349499 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CCn1nc(C)c(CNS(=O)(=O)c2c[nH]c3ncccc23)c1C 72285262 YTEUYTORZLUCCF-UHFFFAOYSA-N 333.417 1.875 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@H](C(F)(F)F)C1 9114354 ZBQJTCWKNYDLHK-JTQLQIEISA-N 340.305 1.592 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)CS(=O)(=O)CC(C)C)C2)no1 72231803 XTPXOXQZEKYLSZ-LBPRGKRZSA-N 329.422 1.155 0 40 EDAB Cc1cccc(S(=O)(=O)NCCNc2cc(C)nc3ncnn23)c1 72278503 JSQXVVZYOPIBBZ-UHFFFAOYSA-N 346.416 1.132 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(CC(=O)N[C@@H](C)c3ccco3)CCO2)n1 72253449 GCTMUMUMUZSPRF-WFASDCNBSA-N 347.419 1.066 0 40 EDAB COc1c([C@H]2CCCN2C(=O)c2ccc(C)n(C)c2=O)c(C)nn1C 72234391 DPPJTMWUCAWKRV-CQSZACIVSA-N 344.415 1.722 0 40 EDAB Cn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc[nH]3)nnc12 9314084 RDNRDBWDEMAQLW-UHFFFAOYSA-N 339.380 1.884 0 40 EDAB CCNC(=O)CN1CCN(c2ccnc(Cc3ccccc3)n2)CC1 97144428 PJTOVWRQGPDXRO-UHFFFAOYSA-N 339.443 1.326 0 40 EDAB C[C@H](C(=O)NC1CC1)[S@@](=O)Cc1ccn(-c2ccc(F)cc2)n1 96448143 CETZZSHVZQRLPJ-QVQLBTGDSA-N 335.404 1.927 0 40 EDAB CCC[C@@H](NCC(=O)N1CCNC(=O)C1)c1ccc(F)cc1F 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EDAB CC(C)COc1cncc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1 95415165 GVISLUJGMLMPJJ-KRWDZBQOSA-N 331.420 1.997 0 40 EDAB NC[C@@H](NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 95432128 BOXSCZQAFRTHEW-SNVBAGLBSA-N 326.315 1.860 0 40 EDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CNC(=O)NC1CC1 88282311 AEEGRRIFLRRVJK-OAHLLOKOSA-N 330.432 1.705 0 40 EDAB CN(C(=O)Cc1cc(F)ccc1F)[C@H]1CCC[C@@H]1S(C)(=O)=O 85294410 XNLFETRYHUPWEG-KBPBESRZSA-N 331.384 1.931 0 40 EDAB CCN(CC)C(=O)C1(NC(=O)[C@H]2CN(C)CCO2)CCCCC1 95961725 HPJPBKQXCDMSOF-CQSZACIVSA-N 325.453 1.005 0 40 EDAB O=S(=O)(NC[C@H](O)c1ccccc1Cl)c1cncc(F)c1 95972890 BRDKONNVWWQIAD-ZDUSSCGKSA-N 330.768 1.886 0 40 EDAB CCc1cccc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1 95942385 PULIHMUQBVFGAQ-AWEZNQCLSA-N 326.418 1.262 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)N(Cc2ccccc2)CC(F)F)C1 89382514 UTMGGQNPYAUYJM-OAHLLOKOSA-N 340.418 1.709 0 40 EDAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)C1CC1 75157892 YKLHCCSEXNYLGG-UHFFFAOYSA-N 327.431 1.342 0 40 EDAB COc1ccc([C@H](O)CNC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 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96042664 IUVJEWALIVUHOV-FMKPAKJESA-N 338.473 1.738 0 40 EDAB Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)C2CCOCC2)n1 96184773 QSDNSMXBEGMIRM-ZWKOTPCHSA-N 329.444 1.992 0 40 EDAB NS(=O)(=O)c1ccc(CCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 97231048 BWOPOPUQJREOPL-XHSDSOJGSA-N 336.457 1.424 0 40 EDAB COC[C@@H]1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CN1C 96206108 OXUMZVMHVIZVNV-HNNXBMFYSA-N 346.427 1.988 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CC(=O)Nc3cc(F)ccc31)C2 97199177 YUVFNNWVHFVZMP-JSGCOSHPSA-N 342.374 1.888 0 40 EDAB COc1ccc2c(c1)C[C@@H](NC[C@H]1CCN(S(C)(=O)=O)C1)CC2 90797293 XFXUBGXYHGIOME-CJNGLKHVSA-N 338.473 1.424 0 40 EDAB CC(C)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@@H]2O)c1 577702677 FEJLBCNGDJBEOP-HIFRSBDPSA-N 325.430 1.760 0 40 EDAB Cc1ccc(N2CCOC[C@]3(CCCN(C(=O)NC4CC4)C3)C2)nn1 96229188 RKKPDMRWTAEMJZ-GOSISDBHSA-N 345.447 1.576 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)c2ccnc(N3CCN(C)CC3)c2)C1(C)C 96414716 VARUSEGXMQLCHS-CVEARBPZSA-N 346.475 1.767 0 40 EDAB O=C([C@H]1CCCO1)N1CCO[C@]2(CCCN(c3ncccc3F)C2)C1 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Cc1cc(Br)ccc1S(=O)(=O)N[C@H]1CCC[C@@H]1O 185011259 SRAHBFFSSOZVCO-QWRGUYRKSA-N 334.235 1.949 0 40 EDAB CCn1cc(S(=O)(=O)N2CC(OCC(F)(F)F)C2)nc1C 585365517 SDQNOYDOKUSBRW-UHFFFAOYSA-N 327.328 1.163 0 40 EDAB CC[C@H](C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)C1(O)CCCCC1 1615586814 PPAMEOWGPLNNIS-BRWVUGGUSA-N 338.492 1.765 0 40 EDAB CCOc1cc(C)ccc1S(=O)(=O)N1CCC(C(=O)O)CC1 11566056 RSBGCRNMRTZJCT-UHFFFAOYSA-N 327.402 1.879 0 40 EDAB Cc1ccnn1CCC(=O)N1CCC(C(=O)c2ccnn2C)CC1 12156151 NGBCHUTVOABWEN-UHFFFAOYSA-N 329.404 1.437 0 40 EDAB Cc1nc2ccccc2n1CCNC(=O)c1cccc(-c2nn[nH]n2)c1 12603715 QQUBQVYAGJHEKP-UHFFFAOYSA-N 347.382 1.955 0 40 EDAB Cc1cnc2n(c1=O)[C@H](CC(=O)NCCCOC(C)C)CS2 14031977 VAPVFDIFAXHSCA-GFCCVEGCSA-N 325.434 1.520 0 40 EDAB NC(=O)NC(=O)COC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 16167734 VKFXNIYOZGKLEJ-UHFFFAOYSA-N 348.355 1.008 0 40 EDAB COCC(=O)NCC[C@@H]1CCCCN1C(=O)Cn1nc(C)cc1C 19748981 PHJCEFRKQSNLCN-HNNXBMFYSA-N 336.436 1.034 0 40 EDAB C[C@@H]1COCC[C@H]1S(=O)(=O)NCc1ccccc1Cn1cccn1 585084135 CRXNLBIKUVVGGV-RHSMWYFYSA-N 349.456 1.776 0 40 EDAB c1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1 1889108451 NMJUBRSKFNEDPU-UHFFFAOYSA-N 339.443 1.635 0 40 EDAB NS(=O)(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nc1 23718231 AQCVNODCSQIMNQ-UHFFFAOYSA-N 336.392 1.195 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1066004577 MDQNKSLQBCKQPE-BETUJISGSA-N 334.383 1.561 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)COCc2ccccc2)C1=O 25698073 QIVCDJZJCVSJAX-KDOFPFPSSA-N 344.367 1.624 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2ccc(Br)cc2)C1 41621217 KIVQHCNRQRJOQS-CYBMUJFWSA-N 347.278 1.963 0 40 EDAB CC1CCN([C@H]2CSC3(C2)CN(C(=O)c2cncnc2)C3)CC1 2056223260 AFERLAXYDBIPOI-OAHLLOKOSA-N 332.473 1.909 0 40 EDAB Cn1nc(N2CCN(c3ncnc4sccc34)CC2)ccc1=O 2086964110 CIFPWQCSFANRHV-UHFFFAOYSA-N 328.401 1.112 0 40 EDAB CCn1cnc2c(N3C[C@@H]4CN(c5ccncn5)C[C@@H]4C3)ncnc21 2087030037 KKGKVNJCDBPBSX-BETUJISGSA-N 336.403 1.209 0 40 EDAB COc1cnccc1C(=O)N1CC[C@@H]2CN(C(C)C)CCO[C@H]2C1 1565545770 ONOVJGCYCWJVSC-PBHICJAKSA-N 333.432 1.662 0 40 EDAB CC(C)NC(=O)[C@@H]1CN(C(=O)[C@@]2(C)CC=CCC2)Cc2ncnn2C1 1565550193 UABOSRIDZSSPCE-KDOFPFPSSA-N 345.447 1.508 0 40 EDAB COc1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 800542 HOQWNJMSJXPUGH-UHFFFAOYSA-N 346.364 1.478 0 40 EDAB CC(=O)c1ccc(NC(=O)COc2cc(=O)n3ccccc3n2)cc1 23141354 NJNCEIUSBPNNOR-UHFFFAOYSA-N 337.335 1.915 0 40 EDAB O=c1[nH]c2c(-c3ccccn3)nsc2c(=O)n1Cc1cccnc1 49410008 ABVXRSHLWBQKTB-UHFFFAOYSA-N 337.364 1.652 0 40 EDAB Cn1nccc1C(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575614958 ANDQJHMSMCIHIP-ZDUSSCGKSA-N 337.383 1.607 0 40 EDAB Cn1ccnc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)c1=O 2298183875 LMSWOLYKJKMLIS-LBPRGKRZSA-N 340.374 1.254 0 40 EDAB COCCNc1nc(O)cc([C@@H]2CNC[C@H]2c2cccc(OC)c2)n1 12163681 ZRCGRHDJWPKTKI-LSDHHAIUSA-N 344.415 1.720 0 40 EDAB CN1C(=O)N[C@@H](c2ccc(O)cc2)C2=C1CN(C[C@@H]1CCCO1)C2=O 36678945 UAFMWOCKXPXOOI-BBRMVZONSA-N 343.383 1.364 0 40 EDAB CSC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(SC)c1 75157336 MJNXQIDXZDSQBX-AWEZNQCLSA-N 328.459 1.577 0 40 EDAB Cc1ccc(N2Cc3nc(N4CCOCC4)ncc3C2=O)cc1F 57279584 SYMMZDRNUICLRM-UHFFFAOYSA-N 328.347 1.921 0 40 EDAB O=C(Cn1cc(-c2nnco2)ccc1=O)NCc1ccc(Cl)cc1 40139008 PETHWPONRLUHSB-UHFFFAOYSA-N 344.758 1.868 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)NCCc2ccc(F)cc2)CC1 40494256 SKUPEHOWHCXXGL-UHFFFAOYSA-N 343.424 1.091 0 40 EDAB Clc1cccc(CN2CCN(Cc3nnnn3C3CC3)CC2)c1 40494013 AXWGLSPWYUFONS-UHFFFAOYSA-N 332.839 1.979 0 40 EDAB O=C(Cn1nc2n(c1=O)CCCCC2)N1CCCc2ccccc21 29234514 SUGXAZPLRCNLEZ-UHFFFAOYSA-N 326.400 1.751 0 40 EDAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(Br)cc1 11637700 NXZSMZCBYSTURZ-UHFFFAOYSA-N 325.162 1.927 0 40 EDAB Cc1sc(NC(=O)C2CC2)c(C(=O)N2CC[C@@H](C(N)=O)C2)c1C 68137962 IVFRVAFQWZIZSH-LLVKDONJSA-N 335.429 1.661 0 40 EDAB O=C(NC1CC1)[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 69571672 KCEUPTQSBSJZQX-GDBMZVCRSA-N 329.379 1.342 0 40 EDAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 1368242 CEXOQWBZFCXFKK-QWRGUYRKSA-N 332.447 1.286 0 40 EDAB CCCCOCCCNC(=O)CS(=O)(=O)Cc1ccccc1 2191250 JZGPCMXFVIMZFI-UHFFFAOYSA-N 327.446 1.924 0 40 EDAB O=C1c2ccccc2C(=O)N1CCc1nnn(Cc2ccccc2)n1 7025213 DYYXAZJORFSTLC-UHFFFAOYSA-N 333.351 1.560 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2ccccc2Cl)C1 69773943 HRINGQAWDGCGRM-RISCZKNCSA-N 339.823 1.948 0 40 EDAB COCCN1CCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C[C@@H]1C 69706662 LZXNSKHQUFUTRB-JXFKEZNVSA-N 345.487 1.906 0 40 EDAB Cc1cccn2cc(CC(=O)N(CCN(C)C)C[C@H]3CCCO3)nc12 69698135 NVVBQYXPPVTQAU-QGZVFWFLSA-N 344.459 1.754 0 40 EDAB CNC(=O)Cc1ccccc1NC(=O)N[C@H]1CCCN(C(=O)OC)C1 69696525 FYHFUEDXAQGACN-ZDUSSCGKSA-N 348.403 1.327 0 40 EDAB Cc1nn(C)c2cnn(CCNS(=O)(=O)c3cccs3)c12 57279797 WHYOVJAMLKSULE-UHFFFAOYSA-N 325.419 1.118 0 40 EDAB CCNC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 103493209 CPRDVRSUKXLPNC-JURCDPSOSA-N 328.368 1.898 0 40 EDAB c1ccc([C@@H](CN2CCOCC2)Nc2ccc3nnnn3n2)cc1 22357676 JKYONKLKVXBGHI-CQSZACIVSA-N 325.376 1.005 0 40 EDAB CCn1c(CNC(=O)c2ccnc(-n3cncn3)c2)nc2ccccc21 53762132 UFQXAXSDCCQTMT-UHFFFAOYSA-N 347.382 1.962 0 40 EDAB COCCn1c(C)cc(C(=O)CSc2nc(N)nc(N)n2)c1C 22714912 FUDKCNARRLBLQB-UHFFFAOYSA-N 336.421 1.076 0 40 EDAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N1CC[C@@H](C(N)=O)C1 53894998 NPLWORPJJQXJLF-CYBMUJFWSA-N 344.390 1.505 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-n2cnnn2)cc1 22926052 HPAZXDPLZIGTRE-UHFFFAOYSA-N 343.368 1.318 0 40 EDAB CCC(=O)N[C@@H](CCSC)C(=O)NC[C@H]1Cc2ccccc2O1 54773447 XXBKNGJTUBCPOW-KGLIPLIRSA-N 336.457 1.754 0 40 EDAB O=C(CN1CCC[C@H]1C(=O)NCC(F)(F)F)Nc1cccc(F)c1 54991444 YVOYALXMTOINJL-LBPRGKRZSA-N 347.312 1.907 0 40 EDAB CCCNS(=O)(=O)c1cc(-c2nnnn2CC)ccc1OC 57279495 KANDGKFLJACGAP-UHFFFAOYSA-N 325.394 1.057 0 40 EDAB COCCN1CCN([C@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@@H]1C 106776723 HKULONLQFWBWBQ-WCQYABFASA-N 340.493 1.739 0 40 EDAB Cc1cc(CN(C)C(=O)Cc2csc(NC(=O)C3CC3)n2)no1 25138840 BCHAKHBTUVWMOT-UHFFFAOYSA-N 334.401 1.989 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2nc(C)c(C)s2)CCN1C[C@H](C)O 106868222 ZJEIPKUMUQHRBK-SMDDNHRTSA-N 340.493 1.475 0 40 EDAB CN(CCOc1ccccc1)c1cc(N2CCC[C@H]2CO)ncn1 106905787 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EDAB CCN(CC)S(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 58290740 WYRMWHAAGKJHNX-OAHLLOKOSA-N 339.461 1.467 0 40 EDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cccnc1S 58228636 RECANSJJTVRBEP-CQSZACIVSA-N 327.409 1.901 0 40 EDAB Cc1nc(-c2ccsc2)sc1C(=O)NCCNS(C)(=O)=O 29682809 CGSOQEGOGDBNGJ-UHFFFAOYSA-N 345.471 1.459 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3ccnc(OCC)c3)CCO2)n1 76046121 SNARCJQSCOVODF-CYBMUJFWSA-N 345.403 1.765 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)c1cc(Cl)c2c(c1)OCO2 44940372 WLQZSYXQYUZVPL-JTQLQIEISA-N 326.780 1.519 0 40 EDAB CC(=O)c1c[nH]c(C(=O)N2CCN(Cc3c(C)noc3C)CC2)c1 44942843 MGQJIBOVHBKPHC-UHFFFAOYSA-N 330.388 1.780 0 40 EDAB CC(C)CCC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 58331030 DZBVUNGFBZMVOP-UHFFFAOYSA-N 332.448 1.673 0 40 EDAB COc1ccc(-c2noc(=O)n2CCCn2cncn2)cc1OC 58325718 XCTCRSSKGDIGDU-UHFFFAOYSA-N 331.332 1.202 0 40 EDAB CSc1cccc(NC(=O)CN2CCCC[C@@H]2CNC(N)=O)c1 58304851 FEFXCSABZAROTQ-CYBMUJFWSA-N 336.461 1.870 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(Cc3csc(COC)n3)CCO2)n1 76049542 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COC(=O)[C@]12CNC[C@H]1CN(Cc1cccn1-c1nccs1)C2 63857066 HFIMGHSNQXIGGN-LRDDRELGSA-N 332.429 1.128 0 40 EDAB O=C(CC1CCCCC1)NCCNC(=O)N1CCC[C@@H](CO)C1 69810745 LIBAWKPHRSTTRO-OAHLLOKOSA-N 325.453 1.487 0 40 EDAB CCOC(=O)[C@@](O)(NC(=O)c1ccccc1OCC)C(F)(F)F 4207742 FXPAOCAOUOPVJE-ZDUSSCGKSA-N 335.278 1.629 0 40 EDAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2cccc3nsnc23)n1 13725445 RTHVCAQGSKFVRI-UHFFFAOYSA-N 344.400 1.260 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)CSC)cc1Cl 77105431 XXXYOEGEABWVKI-GFCCVEGCSA-N 339.866 1.741 0 40 EDAB Cc1cc(NC(=O)[C@H](C)Oc2cccc(C(=O)NCCO)c2)no1 70039677 KBFZFJDFBHFKIF-NSHDSACASA-N 333.344 1.111 0 40 EDAB COCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1Cn1nc(C)cc1C 69966834 USUSDIDTUHTCAV-HOTGVXAUSA-N 336.436 1.032 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1cccs1)C2=O 4308812 RGGVNGYPHUJQHN-MEDUHNTESA-N 335.429 1.865 0 40 EDAB CC(C)NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 4410636 SRPTWFGOVRACKO-UHFFFAOYSA-N 349.250 1.740 0 40 EDAB CN(C(=O)CN1CCC(C(N)=O)CC1)[C@@H]1CCCc2ccccc21 8318103 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NC(=O)Cn1cc(NC(=O)Cc2csc(-c3ccoc3)n2)cn1 78070108 NKKIFOJNIHSMGA-UHFFFAOYSA-N 331.357 1.266 0 40 EDAB O=S1(=O)CC[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 7308489 GTMVLPWLFQYDMA-FZKGZDJFSA-N 335.834 1.417 0 40 EDAB O=C(NC[C@@H]1CC=CCC1)N1CCC(C(=O)N2CCOCC2)CC1 78523099 PYVBFJQZOIBGAP-OAHLLOKOSA-N 335.448 1.623 0 40 EDAB CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc[n+]2[O-])CCCC1 78599224 XSPKRHLDWYVKLV-UHFFFAOYSA-N 335.404 1.887 0 40 EDAB O=S(=O)(c1ccc(F)cc1F)N1CCC[C@@H](Cn2cncn2)C1 97048152 WIPVHKIVRYCMCG-NSHDSACASA-N 342.371 1.657 0 40 EDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCCCn1ccnc1 9156568 WFDKBPFKTPLXLI-UHFFFAOYSA-N 340.387 1.351 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)c2cnc3c(c2)nnn3C)cc1 96003462 BMYPXTAURPTFSZ-UHFFFAOYSA-N 338.371 1.382 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C(=O)C2CC2)CC1 9386165 LBXJMAMNSJWZDU-QHHAFSJGSA-N 328.368 1.509 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc[nH]c3=O)CC2)c(F)c1 9367689 ZQLGKGBIJLGABM-UHFFFAOYSA-N 343.358 1.679 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCOCC(C)C)cc1C(N)=O 26762916 AAMFSNVOIGRREV-UHFFFAOYSA-N 328.434 1.435 0 40 EDAB CN(CC(=O)Nc1ncn(Cc2cccnc2)n1)C(=O)OC(C)(C)C 71799477 DHFKLRRSUQVURA-UHFFFAOYSA-N 346.391 1.527 0 40 EDAB C[C@H](N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(F)(F)F 96454023 TVQQMJSWRQNPLQ-VIFPVBQESA-N 327.328 1.073 0 40 EDAB O=C(CN1C[C@@H]2CCC[C@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 84364192 WCMJEYBVJLBERH-IRXDYDNUSA-N 341.455 1.927 0 40 EDAB CCCN1CCC[C@H]1C(=O)N1CCC(c2nnc3n2CCC3)CC1 71850963 VIFBXZUPNWWHNO-HNNXBMFYSA-N 331.464 1.805 0 40 EDAB O=C(OC[C@@H]1CCCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 71800777 QKZTXCJCZBBEHW-JSGCOSHPSA-N 347.367 1.881 0 40 EDAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)CCOC[C@@H]1CCCO1 71847435 JELZSSMMAWABLL-GOEBONIOSA-N 333.384 1.703 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cncn2-c2ccccc2)CC1 71881057 SOAQXDFPYZDZNR-INIZCTEOSA-N 328.416 1.401 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@H]3Cc4ccccc4O3)CCO2)n1 83829842 RUSGHDQJLWKXOO-ZIAGYGMSSA-N 328.372 1.271 0 40 EDAB O=[S@@](CCNS(=O)(=O)CCc1ccccc1)c1ccccc1 71909877 GGBMZEOWLJTRKO-OAQYLSRUSA-N 337.466 1.956 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C)c1 71913651 POBMXAFAJIWQSB-OAHLLOKOSA-N 346.475 1.242 0 40 EDAB CCOc1cccc(NC(=O)N2CCN(C[C@H]3COCCO3)CC2)c1 71911796 PMQYSWWJKKCBFD-KRWDZBQOSA-N 349.431 1.650 0 40 EDAB C[C@H](N[C@@H]1CCCc2c1cnn2C(C)(C)C)C(=O)N1CCOCC1 78890388 SZQXXNJDAFRGOY-DZGCQCFKSA-N 334.464 1.852 0 40 EDAB CCC[C@@H]1c2ccccc2CCN1C(=O)c1nc(O)[nH]c(=O)c1N 95405599 ZFFSQTRUFRSOOA-GFCCVEGCSA-N 328.372 1.597 0 40 EDAB NC(=O)c1csc(CNCCC(=O)N2CCc3sccc3C2)c1 95427530 WCQZDVXQRWEKOT-UHFFFAOYSA-N 349.481 1.973 0 40 EDAB CC[C@@H](NS(=O)(=O)N(C)C)[C@@H](O)c1ccc(C(F)(F)F)cc1 95433142 IHFVIMIXVPNJRW-NEPJUHHUSA-N 340.367 1.913 0 40 EDAB Cc1nc(NC[C@H]2CCN(S(C)(=O)=O)C2)nc(C)c1CC(C)C 95435641 JLTMIOYUGUWMCK-CQSZACIVSA-N 340.493 1.985 0 40 EDAB C[C@H](C(=O)Nc1ncccn1)N1CCn2c(nnc2-c2ccccc2)C1 78950625 NLYKGRMJNSERHF-CYBMUJFWSA-N 349.398 1.578 0 40 EDAB CCCc1noc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 73688188 INFGYFWGBCGCDY-NSHDSACASA-N 338.433 1.863 0 40 EDAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 89797943 FGFUWYLANMVLQL-JKSUJKDBSA-N 344.367 1.655 0 40 EDAB O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCN(CC2CC2)CC1 89764852 USAWYTGTACKHSC-UHFFFAOYSA-N 329.444 1.812 0 40 EDAB O=C(NCc1nnc2ccccn12)N1CCC[C@H](N2CCCC2)C1 89878865 FJZJOSREAGGYAJ-AWEZNQCLSA-N 328.420 1.499 0 40 EDAB CNC(=O)c1ccc(OCC(=O)NC(=O)NCc2ccco2)cc1 32783854 OCXFTTXGPIKFAC-UHFFFAOYSA-N 331.328 1.044 0 40 EDAB C[C@@H](C(=O)O)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 517564791 IBWDCCPNPNMAFY-OCCSQVGLSA-N 333.388 1.910 0 40 EDAB O=C(NCCc1cccnc1)NCCn1c(=O)oc2ccccc21 78604749 JIVGZBZOVCHVKG-UHFFFAOYSA-N 326.356 1.531 0 40 EDAB Cc1noc2ncc(C(=O)N[C@]3(CO)COc4ccccc4C3)cc12 529823485 SBTPEQFPJBFIAY-GOSISDBHSA-N 339.351 1.627 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)CCN1S(C)(=O)=O 180311292 VGFWICNGTTZPDT-VIFPVBQESA-N 334.800 1.585 0 40 EDAB C[C@]12CC[C@H](C[C@@H]1C(=O)NCCO)[C@]1(C2)NC(=O)c2ccccc2N1 72326946 HWWAOQAOTRGOBO-VOQHCJDSSA-N 343.427 1.473 0 40 EDAB COc1cc(C)nc(N2CCC[C@H](C(=O)NCc3ccco3)C2)n1 35315756 UHPWZRYBVLUYPB-ZDUSSCGKSA-N 330.388 1.919 0 40 EDAB CCS(=O)(=O)NCCN1CCC(Nc2cccc(C)n2)CC1 77316475 HIYGEXRXIZACDL-UHFFFAOYSA-N 326.466 1.206 0 40 EDAB COC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(C)C2)sc1C(C)C 72406043 BOPYBLJICAMNBD-QMMMGPOBSA-N 325.390 1.470 0 40 EDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 37077703 MZFZYILZVWILFI-KRWDZBQOSA-N 345.443 1.511 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)CC1 78497949 LAKOQGFHFGMWSE-MRXNPFEDSA-N 344.415 1.374 0 40 EDAB O=C(NCCCn1ccnc1)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655728 NLNWTKRHJJYSLM-UHFFFAOYSA-N 348.353 1.440 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CC[C@H](Oc2cnccn2)C1 225793351 HYZLIXHOJPPXBL-WFASDCNBSA-N 327.340 1.296 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1F 226687408 CIYUEPFZUKQGDU-UHFFFAOYSA-N 344.320 1.475 0 40 EDAB CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cnn2ncccc12 568349515 URYPNTLMGLSPNR-UHFFFAOYSA-N 338.293 1.754 0 40 EDAB O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1cc(C2CC2)on1 225804140 JRVMXGAAWRTWHB-UHFFFAOYSA-N 327.300 1.220 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1 96043085 XQPYEIOUSLZVBZ-CWRNSKLLSA-N 339.399 1.172 0 40 EDAB CN(C)CC(=O)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96075423 RIGGBVLOTQPRLN-UHFFFAOYSA-N 330.432 1.127 0 40 EDAB Cn1cc(C(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)cn1 97231230 RALGQPBKKUGJFW-AWEZNQCLSA-N 330.319 1.466 0 40 EDAB COC[C@H]1c2nnn(C)c2CCN1C(=O)CCc1cccc(OC)c1 96045272 UJWVMALHFRBZIW-INIZCTEOSA-N 344.415 1.529 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)[C@H]1Cc3ccccc3C(=O)O1)CC2 97198578 NSGQRUVXQKJDKP-GXTWGEPZSA-N 340.383 1.053 0 40 EDAB Cc1ccsc1C(=O)N1CC[C@H](N2CCOCC2)C[C@@H]1C(=O)O 96069099 FOPIHQXOSDJNPL-QWHCGFSZSA-N 338.429 1.447 0 40 EDAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)c3cccnc3)CC2)C1 96224829 NVRPESGTWGQTCO-HNNXBMFYSA-N 331.416 1.618 0 40 EDAB CN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)Cc1cccs1 96473526 BXYLLOSJVREAPZ-UHFFFAOYSA-N 346.391 1.933 0 40 EDAB CN(C)C(=O)N1CCC[C@]2(COCCN(c3ncc(F)cn3)C2)C1 96229213 LDEULTFDFIKAML-MRXNPFEDSA-N 337.399 1.216 0 40 EDAB CC(C)[C@@H](O)CNS(=O)(=O)c1ccc(Br)cc1F 97096053 JBGABNSYHOOARI-JTQLQIEISA-N 340.214 1.883 0 40 EDAB Cc1noc([C@@H]2CCO[C@@H]3CCN(C(=O)c4ccccn4)C[C@@H]32)n1 96043452 HKJDOIQSMHCLGE-UMVBOHGHSA-N 328.372 1.808 0 40 EDAB CCN(CC)C(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)c1ccccc1F 96113033 KOFBDQLRCXZVJT-JKSUJKDBSA-N 335.423 1.946 0 40 EDAB biogenic,in-vitro CC(=O)Nc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](C(=O)O)C2)cc1 581367962 CLNXXRCNZOSYLC-IAQYHMDHSA-N 333.388 1.897 0 40 EDAB Cc1nc2c(c(N3CC[C@](O)(c4cn(C(C)C)nn4)C3)n1)CCCC2 583616668 YMNPOBDWBKYRQU-GOSISDBHSA-N 342.447 1.934 0 40 EDAB O=C(c1ncccn1)N1C[C@@H]2CN(Cc3ccsc3)CCO[C@@H]2C1 96108234 XCDLTCBEJLJKFK-LSDHHAIUSA-N 344.440 1.511 0 40 EDAB CN1CCN(Cc2cnc3n2CCN(CCc2ccccc2)C3)CC1 96201084 WHINPCSDRFKXNI-UHFFFAOYSA-N 339.487 1.689 0 40 EDAB Cn1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccsc4)[C@H]3C2)cn1 248122824 KONZZJDKIAGBME-ARFHVFGLSA-N 346.456 1.358 0 40 EDAB O=S1(=O)CC[C@@H](COCc2cccnc2)C12CN(C1CCC1)C2 247305146 GPVOSMTVDZETGO-HNNXBMFYSA-N 336.457 1.640 0 40 EDAB Cn1cncc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 248038522 NMRSWRZHMXFVHL-AEFFLSMTSA-N 332.448 1.966 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CC(C(F)(F)F)=NO1 585088348 XHAMNFOYOMYXNP-QMMMGPOBSA-N 339.314 1.725 0 40 EDAB O=C(NCc1ccc2c(n1)CCCC2)[C@@H]1CCCN1C(=O)C1CC1 585085565 GWOUQXMRXSWJJU-KRWDZBQOSA-N 327.428 1.978 0 40 EDAB COc1ccc2[nH]c(CN3CCO[C@@](C)(C(=O)N(C)C)C3)cc2c1 257251466 JQWYUCFKPUPAAO-GOSISDBHSA-N 331.416 1.856 0 40 EDAB Cn1nc(C(=O)N2CCC(Oc3ccncc3Cl)CC2)ccc1=O 253473657 WYKQNIAVEVXOJW-UHFFFAOYSA-N 348.790 1.512 0 40 EDAB COC(=O)[C@]1(C)CN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)C[C@H]1C 252497024 PXLUHLTZXKKEGF-JMCQJSRRSA-N 349.313 1.164 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)n1 257317611 VKMKZZHJUYPHEI-CYBMUJFWSA-N 345.403 1.725 0 40 EDAB C[C@]1(O)CN(C(=O)Cn2ccnc2)CC[C@@H]1Oc1cccc(F)c1 257293206 QOOADOYPXOZMJD-RDJZCZTQSA-N 333.363 1.453 0 40 EDAB COc1cccc(S(=O)(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)c1 257313379 USDXQELURQSZLR-HOTGVXAUSA-N 341.429 1.654 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCc1cc(-c2cnccn2)nn1C 253472962 QTPLFISNKQKIFP-CYBMUJFWSA-N 337.383 1.961 0 40 EDAB COCCN1C(=O)C[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccccc1 257227911 FRNSKZSICJPVIR-AEFFLSMTSA-N 347.459 1.243 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(Cc3c[nH]cn3)CCN2C(C)=O)c1 257237448 HGMQPOQICZIANG-KRWDZBQOSA-N 341.415 1.175 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2cccnc2OC)n1 257202205 AKWSHULRPZZVBP-CYBMUJFWSA-N 343.387 1.444 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257265144 LXMBKKVGWRCUCZ-HZPDHXFCSA-N 337.372 1.639 0 40 EDAB CCn1nccc1-c1nccnc1C1CCN(C(=O)COC)CC1 257267948 MJOSCHPLCPENAA-UHFFFAOYSA-N 329.404 1.712 0 40 EDAB CNCC(=O)N1CCC2(CC1)C[C@H](N(C)c1ccc(F)cc1)CO2 257202243 ALANBCWYZGXBFO-INIZCTEOSA-N 335.423 1.631 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)CC1CCOCC1 257212919 CFKZRZPFDWIQNB-MRXNPFEDSA-N 333.432 1.762 0 40 EDAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CCCCNC1=O 42479485 MUUMZFLLYGHSGH-CYBMUJFWSA-N 346.383 1.206 0 40 EDAB COC(=O)c1nc(=NCc2ccnc(N3CCCCC3)c2)cc[nH]1 590575402 YJNXNHHNZFPYFV-UHFFFAOYSA-N 327.388 1.683 0 40 EDAB O=C(CN1CCN(C[C@H](O)c2ccco2)CC1)Nc1nccs1 85436894 LLLWOGZVRBMBTK-LBPRGKRZSA-N 336.417 1.026 0 40 EDAB COC(=O)[C@@H](CCSC)NC(=O)c1cc(=O)[nH]c2ccccc12 36579931 XMBLADIKLYAXSU-CYBMUJFWSA-N 334.397 1.553 0 40 EDAB biogenic O[C@@]1(COc2cccc(F)c2)COCCN(Cc2cnccn2)C1 585268835 APPBXKWDDUGAGG-QGZVFWFLSA-N 333.363 1.258 0 40 EDAB O=C(c1ccnc(F)c1)N1CCc2ncnc(N3CCCC3)c2CC1 585110507 RQCBZZXJGYEURY-UHFFFAOYSA-N 341.390 1.852 0 40 EDAB CSCC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585096003 XTRXRGZGODOODC-CYBMUJFWSA-N 338.433 1.074 0 40 EDAB Cc1noc(CCCC(=O)N2CCC[C@@H](c3nc(N(C)C)no3)C2)n1 684523081 SZEQRPRGJKQDTH-GFCCVEGCSA-N 348.407 1.556 0 40 EDAB CCN(CC)Cc1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)o1 47681744 FFIWQUVYIAXEHU-LBPRGKRZSA-N 328.434 1.286 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 56073312 HXKPPCUQUXWZDD-GFCCVEGCSA-N 342.417 1.594 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCCN(CC)C(C)=O)c(C)c1 58294282 KBUGGKYMSVVNNE-UHFFFAOYSA-N 342.461 1.931 0 40 EDAB COc1ccc(CC(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc1 65595893 YDHFYENJMWFFJW-UHFFFAOYSA-N 342.443 1.706 0 40 EDAB CN(Cc1cccs1)C(=O)c1ccc(CN2CCNC(=O)C2)cc1 69349765 ODHVANYXDANYKB-UHFFFAOYSA-N 343.452 1.952 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 69490562 VGBVXWLPIFGGGX-UHFFFAOYSA-N 339.395 1.210 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)NC1(c2ccc(F)cc2)CCC1 69618473 RTWNDDYSEZWTEO-CYBMUJFWSA-N 326.393 1.691 0 40 EDAB Cc1cc(C(=O)NCC2CCN(c3ncccc3C(N)=O)CC2)on1 71916647 CGZRPJGGAOGIBN-UHFFFAOYSA-N 343.387 1.123 0 40 EDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H](O)[C@@H](CO)C1 85468887 ITUWCHSZXCXRFP-SCDSUCTJSA-N 327.808 1.745 0 40 EDAB Cc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H]1C[C@@H](C)O)S2(=O)=O 1615550175 QNKIDCZOXCHKQL-XNRPHZJLSA-N 337.441 1.455 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)O1 1616034116 GVYAAGBGRAUVJC-HNNXBMFYSA-N 338.473 1.702 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)N1CCCC[C@@H]1c1ccnn1C 1775967301 ZFTXFPCOCAJXNR-CQSZACIVSA-N 330.388 1.495 0 40 EDAB Cn1c(=O)c2[nH]c(Sc3cccc4cccnc34)nc2n(C)c1=O 16363723 KYVCRIMNSZFULE-UHFFFAOYSA-N 339.380 1.660 0 40 EDAB CC(C)(C)C(=O)NCCc1cc(N2CCOCC2)nc(NC2CC2)n1 19082154 ASXRJLKVOTUAFU-UHFFFAOYSA-N 347.463 1.592 0 40 EDAB C[C@@H](C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C)N1CCOCC1 19079748 QKNKQMLEXIMPKU-BBRMVZONSA-N 346.406 1.486 0 40 EDAB Cc1ccc(Cl)cc1NC(=O)C[C@H](C(=O)O)N1CCN(C)CC1 22585004 GYZXATFTZXORFK-CQSZACIVSA-N 339.823 1.678 0 40 EDAB COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccn4)C[C@@H]3C2)n1 1888844364 WPGBNEIWYIGMAA-CHWSQXEVSA-N 325.372 1.089 0 40 EDAB Cn1nccc1C(=O)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888853752 DESZQYJUHWFCCN-LBPRGKRZSA-N 327.388 1.629 0 40 EDAB C[C@H]1c2cccn2CCN1CCOc1ccc(S(N)(=O)=O)cc1 27368167 HTHVHGQJVDXXPH-ZDUSSCGKSA-N 335.429 1.591 0 40 EDAB Br[C@@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]2[C@H]3[C@@]1(Br)C41OCCO1 239562991 PHSSQOWAVHELST-GJAWKPGMSA-N 334.007 1.762 0 40 EDAB O=C(/C=C\c1ccccc1)NCCn1c(O)nc2ccsc2c1=O 253609990 RDVVUMVKOZCMPW-SREVYHEPSA-N 341.392 1.993 0 40 EDAB Cc1nnc2ccc(N3C[C@@H]4CN(c5ncccc5F)C[C@@H]4C3)nn12 2087023442 HVIBUUADHJOJLY-BETUJISGSA-N 339.378 1.539 0 40 EDAB COCCN1CC2(CCN(C(=O)Cc3ccccc3)CC2)CC1=O 1565542416 WGPXRXBZALFLRT-UHFFFAOYSA-N 330.428 1.717 0 40 EDAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1NCCOC 9166036 KQINDTSTKBDLKH-UHFFFAOYSA-N 335.335 1.607 0 40 EDAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1C 9827333 MSKKOTJIMMQCKF-UHFFFAOYSA-N 348.428 1.161 0 40 EDAB O=C(/C=C/c1cccs1)N[C@@H]1CCN(c2nccn3cnnc23)C1 575414427 GPWQQMXVSYKIBS-AAOUONPWSA-N 340.412 1.594 0 40 EDAB O=c1ccncn1CC1CCN(c2cc(=O)n3ccccc3n2)CC1 585637012 CJEDFPXQWXLKPN-UHFFFAOYSA-N 337.383 1.168 0 40 EDAB COc1ccc(CN2CCN(c3ccc4nncn4n3)C[C@H]2C)cn1 2298054300 OFYNMMLAUPAYPJ-CYBMUJFWSA-N 339.403 1.239 0 40 EDAB O[C@H]1CCCC[C@@H]1N1CCN(c2cc(-n3cccn3)ncn2)CC1 2298178400 OCYFJXSEEGTCSV-GJZGRUSLSA-N 328.420 1.088 0 40 EDAB NCCn1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)c2nccnc21 19404310 KVRBAWHRDRKTNF-CYBMUJFWSA-N 328.420 1.291 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@H](O)c2ccoc2)cc1F 75171876 HIVHPVBGZFGVAE-ZDUSSCGKSA-N 329.349 1.829 0 40 EDAB O=c1c2cccnc2ncn1C[C@@H](O)COc1ccc(Cl)cc1 40488021 FXGHVQLKEQTZQQ-GFCCVEGCSA-N 331.759 1.885 0 40 EDAB COc1ccccc1OCCNC(=O)c1cccc(-n2cnnn2)c1 31357754 VIFMSWVKOJMAFL-UHFFFAOYSA-N 339.355 1.480 0 40 EDAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCOCC2(C)C)cc1 40656085 OMQLKVTWQRSUNH-UHFFFAOYSA-N 325.430 1.796 0 40 EDAB CCc1nn(C)cc1NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 91199113 ZVIQMAOEIVPRAY-GFCCVEGCSA-N 345.407 1.033 0 40 EDAB CNC(=O)NC(=O)CCN(Cc1cccc(O)c1)C1CCC(O)CC1 69739092 FVMHRHMPIUAYBJ-UHFFFAOYSA-N 349.431 1.343 0 40 EDAB CC(=O)NCc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1 16685196 WTCPRSSZVWAPPS-UHFFFAOYSA-N 337.426 1.369 0 40 EDAB CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 813998 JTRNXSJPECRMCP-UHFFFAOYSA-N 340.445 1.540 0 40 EDAB CC(C)(C)OC(=O)NCCSc1n[nH]c(=O)n1C[C@H]1CCCO1 69743387 UWVBCNKLJOILMO-SNVBAGLBSA-N 344.437 1.367 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(NC(N)=O)cc2)no1 16795551 FDFZREYXYFOLCV-SECBINFHSA-N 332.316 1.658 0 40 EDAB O[C@@H](COc1ccccc1)CN1CCN(Cc2cccnc2)CC1 69777860 MLQMOWSUVPPQOJ-GOSISDBHSA-N 327.428 1.639 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1nc2ccccc2[nH]1 101926948 RJTTUJDDUGOVSG-CHPZLBCBSA-N 336.351 1.309 0 40 EDAB COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)c1ccc(O)cc1 6169657 ZTGKKYWTIFGPDC-UHFFFAOYSA-N 348.336 1.275 0 40 EDAB O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@H](O)CN2CCOCC2)C1 32865541 WLXHYBMTFXDOHP-SJLPKXTDSA-N 347.459 1.030 0 40 EDAB COc1ccc(OCc2noc(CN3CCCC[C@@H]3C(N)=O)n2)cc1 32868775 PUMBRGNQNXECAE-CQSZACIVSA-N 346.387 1.497 0 40 EDAB CC[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 8341403 NTAATYRKNYOXRF-NSHDSACASA-N 341.433 1.228 0 40 EDAB CCn1c(-c2ccc(OC)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 16839440 HSLPIOQGFGDUKF-UHFFFAOYSA-N 339.355 1.372 0 40 EDAB Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1 532908 RVZRVLWYLFFJTP-UHFFFAOYSA-N 344.375 1.924 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)c2cccc(C)c2OC)n1 557466 JTTOEKIQSZELSM-UHFFFAOYSA-N 334.405 1.527 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccn(-c3ccc(F)cc3)n2)C[C@@H](C)O1 41806988 HHRLMSCEAYTTLU-OKILXGFUSA-N 346.406 1.850 0 40 EDAB CC[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@H]1N(C)C 89948460 LTGYMFUVEFZTSS-XJKSGUPXSA-N 328.416 1.195 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCO1 53743015 JKWWHBNJAHXFMV-INIZCTEOSA-N 349.406 1.160 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)C1 53894008 UDHHCOQGHCWJQR-SECBINFHSA-N 336.189 1.878 0 40 EDAB CCOC(=O)c1cc(C(=O)Nc2ccc(OC)c(OC)c2)n(C)n1 12410697 XNIUAXVBYCASOR-UHFFFAOYSA-N 333.344 1.866 0 40 EDAB CNc1cc(N2CCC[C@H]2CNCc2c(C)nn(C)c2C)ncn1 105797884 KIFINVHHHQANMQ-AWEZNQCLSA-N 329.452 1.627 0 40 EDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccccc1F 24990315 WWDQHLAIBRVVBO-CZUORRHYSA-N 337.395 1.685 0 40 EDAB O=C1C(=O)N(Cc2cccs2)C(=O)N1Cc1cn2ccccc2n1 12547649 QQMGFEGOLGPXPQ-UHFFFAOYSA-N 340.364 1.887 0 40 EDAB CN(C)c1ncc(CNC(=O)c2ccc3nc(S)oc3c2)n1C 76092828 LDPOTFRTBJJVBG-UHFFFAOYSA-N 331.401 1.846 0 40 EDAB CN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 10515315 UDKUNWMOTDDHRV-UHFFFAOYSA-N 348.380 1.887 0 40 EDAB CCC(=O)N1CC[C@@H](NCc2cnc(N3CCCC3)nc2)[C@@H](C)C1 78897597 IBCKPAYESORTAC-GOEBONIOSA-N 331.464 1.813 0 40 EDAB Cn1c(CN(Cc2cccs2)C[C@@H]2CCCO2)cc(=O)n(C)c1=O 57373623 HYQFZKKWTGQXJP-AWEZNQCLSA-N 349.456 1.327 0 40 EDAB Cn1nnnc1-c1cccc(S(=O)(=O)N(CC(F)F)C2CC2)c1 78903941 NGWXAKOGICUJKQ-UHFFFAOYSA-N 343.359 1.295 0 40 EDAB CCNC(=O)C1CCN(Cc2cc(=O)n3nc(CC)sc3n2)CC1 27413640 XYFSJEWAZXUHRY-UHFFFAOYSA-N 349.460 1.062 0 40 EDAB O=C1CN(S(=O)(=O)c2cccs2)C[C@@H]2c3ccccc3CCN12 36071098 JFTFWVCXEVBQEY-CQSZACIVSA-N 348.449 1.878 0 40 EDAB CCc1ccc(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)s1 44911385 GJWKCSPUELHALP-UKRRQHHQSA-N 338.473 1.778 0 40 EDAB CN(C)c1cc(CNC(=O)CN2C(=O)COc3ccccc32)ccn1 44915895 ZLJCAHOEUOSJIN-UHFFFAOYSA-N 340.383 1.189 0 40 EDAB CN(CC(=O)N1CCN(Cc2ccsc2)CC1)c1cnccn1 48109718 QKFTUIOEXFMGPG-UHFFFAOYSA-N 331.445 1.319 0 40 EDAB Cc1cc(-c2nnn(CC(=O)NC(=O)NC(C)(C)C)n2)ccc1F 58306594 VTBVESQLRILQNO-UHFFFAOYSA-N 334.355 1.412 0 40 EDAB CCN(CC)c1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cn1 58368786 ULAGADDAZCUFJP-OAHLLOKOSA-N 325.434 1.235 0 40 EDAB C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 58412512 GFIXORJXHYALSK-JTQLQIEISA-N 345.226 1.899 0 40 EDAB O=C(/C=C/c1cccs1)N1CCN(Cc2nnnn2C2CC2)CC1 36396632 DAIGPZJFLGTHFH-AATRIKPKSA-N 344.444 1.427 0 40 EDAB CC(C)n1cnnc1SCC(=O)Nc1ccc2c(c1)NC(=O)CO2 28435229 RYUNFPLMFKEMLJ-UHFFFAOYSA-N 347.400 1.921 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)N2CCCCCC2)c1 48262057 LQJFNYAKEGVFBX-UHFFFAOYSA-N 325.434 1.680 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCOC2=O)cc1 11215642 RRPGYCJRPUBNLM-ZWNOBZJWSA-N 341.385 1.236 0 40 EDAB CN(Cc1ccccn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 62246609 OBBBQKZHWZTNIK-UHFFFAOYSA-N 348.428 1.996 0 40 EDAB C[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 48368845 QJWVZUSRXMSCBP-GXSJLCMTSA-N 332.372 1.854 0 40 EDAB CN(C)[C@@H](CNC(=O)[C@H]1CCCN(c2cnccn2)C1)c1ccco1 48380375 PXVTUCIIYBLKFG-GJZGRUSLSA-N 343.431 1.705 0 40 EDAB COC(=O)c1cc(CNC(=O)c2ccc3nncn3c2)ccc1OC 69379801 CANYBVXSCWNDIZ-UHFFFAOYSA-N 340.339 1.455 0 40 EDAB CCOc1ncccc1C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 12905145 MFWODQPNBKWGFM-HNNXBMFYSA-N 341.367 1.634 0 40 EDAB COc1ccc(NC(=O)CCc2n[nH]c(=S)[nH]c2=O)c(OC)c1 12997973 JBHFTVQGIGQKNV-UHFFFAOYSA-N 336.373 1.416 0 40 EDAB COC(=O)CSCC(=O)Nc1cc2c(cc1C(C)=O)OCO2 3764957 XPFGAVYFXXTYPA-UHFFFAOYSA-N 325.342 1.463 0 40 EDAB O=c1onc(-c2ncccn2)n1Cc1noc(-c2cccs2)n1 69485663 ZVEDDBXAGNAYCP-UHFFFAOYSA-N 328.313 1.453 0 40 EDAB CC[C@H](C)NC(=O)CN1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 13624141 UGASYKQKIINMKP-XJKSGUPXSA-N 343.427 1.943 0 40 EDAB O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1cccc(OC(F)(F)F)c1 13725105 JNEZJBMTZITZFM-VIFPVBQESA-N 341.249 1.699 0 40 EDAB C[C@@H]1CN(C[C@H](O)COCc2ccco2)CCN1Cc1nccn1C 69535712 NBZLGOWMVAGNSP-CVEARBPZSA-N 348.447 1.097 0 40 EDAB CCCN(CC(=O)NC)C(=O)c1ccc(Cn2cc(Cl)cn2)o1 69508219 XJTIKKKBQGASDX-UHFFFAOYSA-N 338.795 1.776 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCCc2ccccc2)C1 69516881 JEFLQCSODCZUMC-DOTOQJQBSA-N 347.459 1.802 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)N1CCO[C@@H]2CCCC[C@H]21 65399452 NGTIMTBLXCUIEU-ZIAGYGMSSA-N 328.376 1.838 0 40 EDAB CCN1C[C@H](CN(C)C(=O)c2ccc(=O)[nH]c2)Oc2ccccc21 65423202 COUSQWNZTCNYOQ-AWEZNQCLSA-N 327.384 1.734 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)CCc1cc(OC)cc(OC)c1 65476462 LIHWGXFTMKHIMF-INIZCTEOSA-N 336.432 1.913 0 40 EDAB COc1cc(CNC(=O)CCc2nc(-c3nc[nH]n3)no2)ccc1C 65478331 DERNCGBNERMBDZ-UHFFFAOYSA-N 342.359 1.421 0 40 EDAB O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1CCC1OCCO1 4479097 XPCYQUDLWSCJTH-UHFFFAOYSA-N 346.774 1.999 0 40 EDAB CCOCc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1 4436692 YYMVWTXLKGSXQZ-UHFFFAOYSA-N 341.414 1.487 0 40 EDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCn1ccnc1C 69813381 FENNNNVLMLTNLL-SFHVURJKSA-N 340.427 1.671 0 40 EDAB C[C@@H](NC(=O)c1ncoc1-c1cccs1)C(=O)N1CCOCC1 69658581 LSPCZLPQARCROI-SNVBAGLBSA-N 335.385 1.380 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)CCCn2cccn2)CC1 69879602 YJJUYPFDVYZOQD-UHFFFAOYSA-N 330.436 1.131 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1cnn3ccc(C)nc13)C2 69902488 MLGZWLSSCCQQTP-UHFFFAOYSA-N 337.387 1.458 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1 8723830 LWTFLABSXUZLKI-UHFFFAOYSA-N 342.376 1.683 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1Cl 6859566 UHCITPQQODXUPE-UHFFFAOYSA-N 328.777 1.771 0 40 EDAB CCN(CC)C(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1 4938802 HPIIISBXLCCSDI-UHFFFAOYSA-N 332.429 1.980 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1C 22247142 YYMXTYNQXKZGAQ-HNNXBMFYSA-N 349.408 1.978 0 40 EDAB CN1CCN(C(=O)[C@H]2CCCN2c2ccnc(C(C)(C)C)n2)CC1 79016878 IOTXRYNGLJBZEZ-CQSZACIVSA-N 331.464 1.517 0 40 EDAB COc1cc(NC(=O)CNC(=O)c2ccco2)cc(OC)c1OC 15565466 XVIMFKWAQURAJC-UHFFFAOYSA-N 334.328 1.674 0 40 EDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccco3)cc2)C1=O 15842668 SULRWFOOZDZUCG-LLVKDONJSA-N 348.380 1.522 0 40 EDAB CCCCOc1cccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)c1 8992013 VJQDAUMWBCATLP-ZIAGYGMSSA-N 340.470 1.726 0 40 EDAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCN(CCO)CC1 22030780 RCJASHRNEBEFTI-DLBZAZTESA-N 336.476 1.550 0 40 EDAB CC[C@H](CO)N1CCN(Cc2cc(C)nc(N3CCCCC3)n2)CC1 97084444 NEHLPVMJZUPDBD-GOSISDBHSA-N 347.507 1.664 0 40 EDAB CNS(=O)(=O)CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 83598560 PKPHSFRMTTWHEV-UHFFFAOYSA-N 344.396 1.718 0 40 EDAB COc1cncc(N2CCN([C@H]3Cc4ccccc4[C@H]3O)CC2)n1 97034116 QPPYTUVXHVNZBK-MAUKXSAKSA-N 326.400 1.266 0 40 EDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269314 XRIXBJURQSLWEH-CABCVRRESA-N 330.388 1.341 0 40 EDAB O=C1OC(c2ccsc2)=N/C1=C/c1cnc(N2CCOCC2)nc1 72280606 CRKKLSCSOZZIOS-NTUHNPAUSA-N 342.380 1.719 0 40 EDAB CC(C)N1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 71892712 XSLVGVXMZQKSIA-AWEZNQCLSA-N 333.432 1.617 0 40 EDAB O=C1COc2c(cccc2C(=O)N2CCC[C@H]2Cn2cccn2)N1 71866823 IIONGJGWKJMAOT-LBPRGKRZSA-N 326.356 1.519 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1noc(C2CC2)n1 72299493 JDAWNBZPABACMD-GHMZBOCLSA-N 325.390 1.045 0 40 EDAB CSc1ccsc1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 71884548 FXKLQZKZLGPSLB-SNVBAGLBSA-N 348.515 1.871 0 40 EDAB CCn1cc(NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 72274011 NYAOBGAJKTYNFW-LBPRGKRZSA-N 333.367 1.508 0 40 EDAB C[C@@H](OC[C@H]1CCCCO1)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 71911399 PCAYCILSPLMXNA-TZMCWYRMSA-N 342.436 1.696 0 40 EDAB O[C@H](CN1CCC(c2nnc3ccccn23)CC1)Cn1cccn1 71900504 XBZKBAFSNMVSDM-OAHLLOKOSA-N 326.404 1.166 0 40 EDAB O=C1CN(CC(=O)N[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)C(=O)N1 409412892 ZXYWHPWJNFPNIM-UWWPHRKUSA-N 327.384 1.237 0 40 EDAB C[C@@H](Nc1ncnc2c1cnn2CCO)c1ccc2[nH]c(=O)[nH]c2c1 97199788 LJWNVWKZYRSNOD-SECBINFHSA-N 339.359 1.161 0 40 EDAB Cc1noc(COCC(=O)N2CCO[C@H](c3ccccc3F)C2)n1 72574669 NJWZQTCUYVUVAD-AWEZNQCLSA-N 335.335 1.634 0 40 EDAB Cc1ccc(-c2csc(NC(=O)C[C@@H]3NC(=O)NC3=O)n2)cc1C 97597459 XRULLXCHHGLHPJ-NSHDSACASA-N 344.396 1.964 0 40 EDAB C[C@H](c1cccs1)[S@@](=O)CC(=O)N1CCC[C@H](C(N)=O)C1 95414531 ZPPCGPNZORLHOW-NNUHMIRASA-N 328.459 1.282 0 40 EDAB COC(=O)c1ccc2c(c1)OCC(=O)N2CC(=O)N1CCCCCC1 73658848 LPDRRYTVECMYRR-UHFFFAOYSA-N 346.383 1.601 0 40 EDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(=O)n(C)n1 88201115 WQVXKGPHTTXKQG-AWEZNQCLSA-N 326.400 1.651 0 40 EDAB CCN1CCCC[C@@H]1C(=O)OC[C@@H]1CNC(c2ccccc2)=NO1 95943923 LNSGOQSLZFVUEG-JKSUJKDBSA-N 331.416 1.754 0 40 EDAB CC(C)n1cc([C@H](C)NC2CCN(CCS(C)(=O)=O)CC2)cn1 95967867 NSZGZGIRBMINKZ-AWEZNQCLSA-N 342.509 1.624 0 40 EDAB CN(C)CCNC(=O)Cn1cnc2cc(NC(=O)C3CC3)ccc21 61720460 MTIROUIMQKMJMR-UHFFFAOYSA-N 329.404 1.063 0 40 EDAB CO[C@@](C)(C(=O)NCc1cc2n(n1)CCCO2)c1ccccc1F 514957071 MUFGZCGMCCNWCP-QGZVFWFLSA-N 333.363 1.983 0 40 EDAB COc1c2c(c(CNC(=O)C(C)C)c3c1C(=O)N(C)CC3)OCO2 524730448 JHUMLBVYDDFENF-UHFFFAOYSA-N 334.372 1.324 0 40 EDAB biogenic CCN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 30446010 BDYMACHXFHOWRW-UHFFFAOYSA-N 336.369 1.821 0 40 EDAB O=C(NCCc1ccccn1)c1ccc(Cl)cc1-n1cnnn1 79476971 SWWGGMBCYBQBQA-UHFFFAOYSA-N 328.763 1.683 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)NCc2cccnc2C)[C@H]1n1cccn1 527972762 LUQXLOSHXLCGSC-ARFHVFGLSA-N 329.404 1.804 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccnc(N2CCOCC2)n1 211102034 CGLVXOYKQBHGQB-CQSZACIVSA-N 342.399 1.397 0 40 EDAB Cc1cc(OCC(=O)NCCn2ncccc2=O)cc(C)c1Cl 36704687 CPGSJMJRIXGVIZ-UHFFFAOYSA-N 335.791 1.709 0 40 EDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCc1ccccc1C(N)=O)CS2 78768701 CJSMHWWJGJORHH-MLGOLLRUSA-N 334.397 1.283 0 40 EDAB CN(C)C(=O)c1cccc(C[C@H]2COCCN(c3ncccn3)C2)n1 72381117 JSTJPXNAANNTSO-CQSZACIVSA-N 341.415 1.269 0 40 EDAB C[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1nccs1 73451219 TXAAOYOEHVJGIZ-CQSZACIVSA-N 345.472 1.928 0 40 EDAB CCC(CC)C(=O)N1C[C@H]2CCc3cn(CCNC(C)=O)nc3[C@H]2C1 72391359 OMIZVTHUOVQMCX-WBVHZDCISA-N 346.475 1.944 0 40 EDAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)C(=O)Nc1ccon1 70636522 BHOUIGZZCVYAQZ-CYBMUJFWSA-N 343.261 1.179 0 40 EDAB O=C1CCN(CC(=O)N(C2CC2)[C@H]2CCc3ccccc32)C(=O)N1 214908123 JKULJNUPIYSYOE-HNNXBMFYSA-N 327.384 1.607 0 40 EDAB CN([C@@H](C(=O)NCc1ccccn1)c1ccccc1)S(C)(=O)=O 225035059 TYJJTJRHSMORGP-OAHLLOKOSA-N 333.413 1.331 0 40 EDAB COCCN1C[C@H]2CN(Cc3cn(C)c4ccccc34)CCN2C1=O 85436247 SXNUMQOMIJYJSL-MRXNPFEDSA-N 342.443 1.747 0 40 EDAB biogenic,in-vitro CN1CCN(c2ncc3c(n2)CN(CCc2cccs2)C3=O)CC1 46087081 FUSXFPUAPJYUEQ-UHFFFAOYSA-N 343.456 1.488 0 40 EDAB CSCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1SC 75157635 GSXWDFCVNSPJSH-OAHLLOKOSA-N 342.486 1.967 0 40 EDAB O=C(Cn1cnc2ccccc21)NCc1n[nH]c(=O)c2ccccc12 44059469 SXFGIVTXKLBSJL-UHFFFAOYSA-N 333.351 1.589 0 40 EDAB CN1CCN(c2ncc(NC(=O)c3ccc4c(c3)OCO4)cn2)CC1 224253696 QOIHFVCOCYXWAD-UHFFFAOYSA-N 341.371 1.209 0 40 EDAB Cn1cccc1-c1noc(CNC(=O)c2cccc3c2OCCO3)n1 225766752 ADLCLHSFLLSLQD-UHFFFAOYSA-N 340.339 1.776 0 40 EDAB CC(C)CN1CC2(CN(Cc3cccnc3)C[C@H]3C[C@@H](O)CN32)C1 514289461 LKPOSCOSDYEXHG-QZTJIDSGSA-N 330.476 1.043 0 40 EDAB biogenic,in-vitro Cc1cc(O)c(I)c(=O)n1C[C@H]1CCCO1 225733325 YFOHZHIKETWTNZ-MRVPVSSYSA-N 335.141 1.646 0 40 EDAB Cc1ccc([C@H]2CN(S(=O)(=O)CCN3CCCC3)CCO2)o1 192815831 HEEUUVIDCJKDPS-OAHLLOKOSA-N 328.434 1.387 0 40 EDAB O=S1(=O)CCN(C2CCN(c3ccnc4ccccc34)CC2)CC1 192782833 APRNUWQDUDAHRR-UHFFFAOYSA-N 345.468 1.934 0 40 EDAB CO[C@@H]1CCN(C(=O)c2cccc(C)n2)[C@@H]2CN(CC3CC3)C[C@@H]21 96108559 CLGDVSKYFLBAPF-CGTJXYLNSA-N 329.444 1.961 0 40 EDAB CN1CCN([C@@H]2CCN(Cc3ccco3)[C@H]2Cc2cnn(C)c2)CC1 96061725 VDAAOLGJWXVVIO-MOPGFXCFSA-N 343.475 1.446 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)Cn1nc(-c2ccco2)ccc1=O 95472626 ZWSIOFQVOUXZLL-CYBMUJFWSA-N 330.388 1.104 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](Nc2ccc(C)nn2)C1 97953522 NLJOTFAELAAFCD-GUTXKFCHSA-N 340.449 1.026 0 40 EDAB CO[C@@H]1CCN(C(=O)c2ocnc2C)[C@@H]2CN(Cc3ccco3)C[C@@H]21 96110998 PDSXSKMWXHXMNE-ARFHVFGLSA-N 345.399 1.938 0 40 EDAB Cn1cccc1CN1C[C@@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96160155 DCYCXQVJDJOURN-KRWDZBQOSA-N 347.459 1.113 0 40 EDAB CCN(CC)[C@H]1CCN(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)C1 96433966 NUDOCNKOTDXDNY-HNNXBMFYSA-N 343.435 1.919 0 40 EDAB c1c2c(nn1CC1CCOCC1)[C@@H](CNCC1CCOCC1)OCC2 96044429 NNWQABVICBZTKX-GOSISDBHSA-N 349.475 1.940 0 40 EDAB C[C@@H](CNC(=O)NC[C@@](C)(O)c1cnn(C)c1)N(C)c1ccccc1 96421604 MLJPAQPNHNDTCU-KBXCAEBGSA-N 345.447 1.452 0 40 EDAB COC[C@H]1CCC2(CCN(C(=O)c3cnn(C)c3)CC2)N1CC1CC1 96207347 MXXOEJIAFWYBGN-QGZVFWFLSA-N 346.475 1.916 0 40 EDAB Cc1cnn(CCCNC(=O)NCCc2nnc3n2CCCCC3)c1 96402626 SPHNKSNENZCHHS-UHFFFAOYSA-N 345.451 1.441 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@@H]2CN(Cc3cccs3)C[C@@H]2C1 96108047 RTSZAEHABYWZDC-IUODEOHRSA-N 342.486 1.373 0 40 EDAB CNS(=O)(=O)CCCSc1nnc(-c2ccccc2F)o1 96404766 HLTXLJSHYBKCDG-UHFFFAOYSA-N 331.394 1.907 0 40 EDAB CC(C)(C)c1noc(C[S@@](=O)CC(=O)NCc2ccco2)n1 96404346 QKOKCVWPPROECL-JOCHJYFZSA-N 325.390 1.525 0 40 EDAB CCC[C@]1(COC)CCCN1C(=O)c1ccnc(S(N)(=O)=O)c1 331320100 IWNNKOLRVVFZJR-OAHLLOKOSA-N 341.433 1.150 0 40 EDAB O=S(=O)(C1CC1)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 96108183 SUOOFJLYEYGZCX-SWLSCSKDSA-N 342.486 1.373 0 40 EDAB O=C(NCCCN1CCOCC1)c1ccc(=O)n(-c2ccccc2)c1 96192103 QDDNOCAYHBMCJG-UHFFFAOYSA-N 341.411 1.290 0 40 EDAB CN(Cc1cccnc1)[C@H]1CCN(C(=O)c2ccoc2)[C@H](C(=O)O)C1 96069114 VUHUCPWKFZWCSJ-HOTGVXAUSA-N 343.383 1.864 0 40 EDAB O=C1[C@@H](N2CCS(=O)CC2)CCCN1c1ccccc1Cl 96424188 HAHRDPDODPJIPF-AWEZNQCLSA-N 326.849 1.900 0 40 EDAB COc1ccsc1S(=O)(=O)NCCNc1nc(C)cs1 585115157 ORQHWMSKEGQJBZ-UHFFFAOYSA-N 333.460 1.912 0 40 EDAB Cc1csc(CN2Cc3ccnn3[C@@H](C(=O)N3CCCCO3)C2)n1 247926789 BCFLOPJAWWYHKG-CQSZACIVSA-N 347.444 1.759 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2c[nH]nc2C2CC2)C1 585131097 LRXQPHQFPIUPDA-NSHDSACASA-N 326.422 1.287 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@H](OCc3ccccn3)CCO2)C1 247882545 WBVYDVGVEWGCNE-CQSZACIVSA-N 329.356 1.660 0 40 EDAB Cc1ccnc([C@H]2CCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)c1 585141856 HCBXYOHVLGSTBA-AWEZNQCLSA-N 334.445 1.919 0 40 EDAB CC(=O)Nc1cc(F)ccc1C(=O)N1CC[C@H](CN2CCOCC2)C1 585137768 SCGDCRHDFCFZGS-CQSZACIVSA-N 349.406 1.578 0 40 EDAB C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)O1 583622044 HAYXQZGSONJUEK-XJFOESAGSA-N 336.436 1.673 0 40 EDAB c1ccc(CN2CCOC[C@]3(CC[C@@H](Cn4cncn4)O3)C2)cc1 253596854 WMPCQOOXUXPMFM-ROUUACIJSA-N 328.416 1.728 0 40 EDAB O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(C1)CN(C1CCC1)C2 604381910 UYZKRFXZOHYCOH-GOSISDBHSA-N 341.455 1.450 0 40 EDAB biogenic,in-vitro Cc1cn(C)c([C@H]2CN(C(=O)c3cn4c(C)cccc4n3)CCO2)n1 257309685 UBXKTMIKHIAFFT-OAHLLOKOSA-N 339.399 1.898 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)Cc2ccccc2OC)CCO1 257334503 YGFGJJBDAIPCGB-OAHLLOKOSA-N 342.399 1.670 0 40 EDAB COCC(=O)N1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 257301789 RZXLAGPWSBRKBU-LBPRGKRZSA-N 328.376 1.363 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CC[C@H](O)[C@]2(CCCO2)C1 257315238 VAMPZTZCKQFJCA-AAEUAGOBSA-N 333.310 1.044 0 40 EDAB CCn1nccc1-c1cncc(C[C@H]2CCN(S(C)(=O)=O)C2)n1 257215097 CORINDNTRRTHMA-GFCCVEGCSA-N 335.433 1.184 0 40 EDAB CS(=O)(=O)N=S1(=O)CCN(Cc2ccc(Cl)s2)CC1 585090650 IWFBTAHZZCTHEV-UHFFFAOYSA-N 342.895 1.645 0 40 EDAB Cc1nc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c(C)s1 262908787 HDECMLGOVWBSCL-UHFFFAOYSA-N 339.417 1.155 0 40 EDAB CN1CC[C@H](NS(=O)(=O)CCC(C)(C)C(F)(F)F)CC1=O 1615585416 FINLRHZTNUZQDT-VIFPVBQESA-N 330.372 1.505 0 40 EDAB C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1nc(-c2cccnc2)oc1=O 1615548273 CSIAUJIPAVWBAE-TZMCWYRMSA-N 330.388 1.935 0 40 EDAB O=C(O)c1cc(S(=O)(=O)N[C@@H]2COc3ccc(F)cc3C2)c[nH]1 1608860771 YZNSKMYQDXEZFM-JTQLQIEISA-N 340.332 1.134 0 40 EDAB COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)C1 390835061 BZWRIQIQZPUVOF-BFHYXJOUSA-N 340.420 1.513 0 40 EDAB O=C(Nc1cc(-n2cccn2)ncn1)c1cnn(-c2ccccc2)n1 96097977 JUYLWDFPNURYEB-UHFFFAOYSA-N 332.327 1.495 0 40 EDAB COc1ccc2c(c1)N(C(=O)CCn1cc(C)cn1)[C@@H](C)C(=O)N2 585140121 NDYFXCYOZXQUEJ-LBPRGKRZSA-N 328.372 1.964 0 40 EDAB CO[C@@]1(COc2ccccc2)CCN(C(=O)c2cc(O)nc(C)n2)C1 585276619 OKRDZLUAXQASDK-SFHVURJKSA-N 343.383 1.801 0 40 EDAB Cc1ncc(CN2CCO[C@](CO)(Cc3cccc(F)c3)C2)cn1 585275607 HFXLGLYXCUQWCJ-GOSISDBHSA-N 331.391 1.730 0 40 EDAB CN1CCC(C(=O)N2CC[C@@H](O)[C@H](Cc3ccc(F)cc3)C2)CC1 585269228 MCYKMOZFDOEYEV-SJLPKXTDSA-N 334.435 1.919 0 40 EDAB CC1CCC(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)CC1 585110680 IVUUROYXJNZVIM-HWOWSKLDSA-N 342.447 1.960 0 40 EDAB CCN1CC[C@@]2(CN(C(=O)c3cc(OC)no3)CC(F)(F)C2)C1=O 585093450 XFQCVLRIAZAMMD-CQSZACIVSA-N 343.330 1.403 0 40 EDAB O=C(Cc1ccccn1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585277205 NEFNKWVBESHMSU-SFHVURJKSA-N 330.359 1.806 0 40 EDAB CCn1cncc1CN1CCOC[C@](O)(COc2cccc(F)c2)C1 585275225 ASQVRQPQFDNSAM-SFHVURJKSA-N 349.406 1.684 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(C(=O)c3ccnc(F)c3)C[C@H]2O1)NCC1CC1 585109231 DLPKFLNJILAIAG-SOUVJXGZSA-N 347.390 1.367 0 40 EDAB Cc1ccccc1-c1nnn(CC(=O)NC[C@@H]2Cc3ccccc3O2)n1 53115150 SBANAFQNXGSRPC-HNNXBMFYSA-N 349.394 1.768 0 40 EDAB COc1ccc(N2CCN(C(=O)CCCn3cccc3)CC2)nn1 49031031 XZFBDOODXVSYIH-UHFFFAOYSA-N 329.404 1.416 0 40 EDAB Cc1ccccc1CC(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 58551495 LMMQKFZVPQLGFB-UHFFFAOYSA-N 345.424 1.742 0 40 EDAB CCN(CC)C[C@H](NC(=O)Cn1nc(O)ccc1=O)c1ccccc1 65554127 XIESEIACXHIVEU-HNNXBMFYSA-N 344.415 1.148 0 40 EDAB COC(=O)[C@@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)c1ccccc1 69632699 HQZQHHDTMUQJMR-HNNXBMFYSA-N 347.415 1.411 0 40 EDAB CCN1CCN(C[C@H](C)CNC(=O)COc2ccc(F)cc2)CC1 69621576 CULQKQVPDAMYEQ-OAHLLOKOSA-N 337.439 1.594 0 40 EDAB CS(=O)(=O)CCNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 69654500 MFOVVTPZUJNIAY-LBPRGKRZSA-N 340.401 1.306 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCC[C@H](Cn3cncn3)C2)o1 69778748 HIZUMMAMEQLJBL-HNNXBMFYSA-N 331.420 1.550 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)CCNc2ncccn2)c1 69948357 UWLDKPGYAOUBIN-HNNXBMFYSA-N 328.420 1.865 0 40 EDAB Cc1cc(Br)ccc1S(=O)(=O)N1CCC(O)CC1 133355043 MZJNKWPDDJFFST-UHFFFAOYSA-N 334.235 1.903 0 40 EDAB O=C(Cc1ccc(F)cc1F)N1CCN(c2ccccn2)C(=O)C1 1565522769 PETACFJEKCZPHN-UHFFFAOYSA-N 331.322 1.778 0 40 EDAB Cc1ccn(-c2ccc(N3CCC[C@H](C(=O)NCC4CC4)C3)nn2)n1 77929659 MIZNYXQQLZDMGE-HNNXBMFYSA-N 340.431 1.713 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 78894304 BZGYSGDLYKAYJC-AWEZNQCLSA-N 340.387 1.847 0 40 EDAB COc1ccc(C(=O)N2CCC(COc3ncccn3)CC2)cn1 1775995833 KSZUMSJGNLJKNF-UHFFFAOYSA-N 328.372 1.811 0 40 EDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)[C@H]1CCCC[C@@H]1OC)CC2 1614519241 GSZWQJASGSMBGN-IHRRRGAJSA-N 345.461 1.549 0 40 EDAB Cc1nc2n(n1)C[C@@H](C(=O)N(C)CCOc1ccc(O)cc1)CC2 1615044529 FNHLDEDMVCVLJU-ZDUSSCGKSA-N 330.388 1.392 0 40 EDAB CNc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1C[C@@]1(C)C(C)C 1615585848 GWYMMBNYBPMAAD-ABAIWWIYSA-N 325.434 1.996 0 40 EDAB O=C(O)[C@@H](O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1601684345 KCSQHMCPYZUFIW-JTQLQIEISA-N 339.822 1.248 0 40 EDAB CC(C)CNC(=O)CN1CC2(CCOCC2)Oc2ccccc2C1=O 12086800 ZEEBUXZPHRVKQR-UHFFFAOYSA-N 346.427 1.843 0 40 EDAB O=C(O)CCCCCNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 13026672 YXFDZBDIYCYTLD-UHFFFAOYSA-N 349.792 1.962 0 40 EDAB O=C(CN1CCN(Cc2cncs2)CC1)NCC1CCCCC1 585133464 IRHRMJQPTMFOGP-UHFFFAOYSA-N 336.505 1.957 0 40 EDAB Cc1nc(CN2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)co1 1888849786 KURHLLKURXRVRS-HOTGVXAUSA-N 325.368 1.600 0 40 EDAB Cc1ccnc(N2C[C@@H]3CN(c4cc(=O)n5ccccc5n4)C[C@@H]3C2)n1 1888875818 HPIKKRVMGGVNDW-GASCZTMLSA-N 348.410 1.366 0 40 EDAB CCN=c1ccnc(N2CCN(c3ncnc4ccsc34)CC2)[nH]1 1889139848 NZWLQQYXKIONTC-UHFFFAOYSA-N 341.444 1.662 0 40 EDAB O=C1CN(C(=O)c2ccc(N3CCOCC3)nc2)c2ccccc2N1 14339591 YVNQXWRSSQHHNO-UHFFFAOYSA-N 338.367 1.517 0 40 EDAB Cc1c[nH]nc1[C@@H]1CCCN(C2CCN(S(C)(=O)=O)CC2)C1 1848356443 HMZBUQSZNMROHP-CYBMUJFWSA-N 326.466 1.322 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@@H]2NC(=O)C1CC(F)(F)C1 1565555407 HDYLYEVKZJKXTL-NSHDSACASA-N 325.359 1.924 0 40 EDAB COc1cc(-n2c(=O)[nH]c3ccccc3c2=O)cc(OC)c1OC 15424655 QINMYZYBZBZLCO-UHFFFAOYSA-N 328.324 1.705 0 40 EDAB Cc1occc1C(=O)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772690 QEYXLLJGIWZJMN-UHFFFAOYSA-N 342.399 1.648 0 40 EDAB Cc1nn(CC(=O)NCc2ccco2)c(=O)c2c1cnn2C(C)(C)C 35589820 WPQGIYHFNGHOIR-UHFFFAOYSA-N 343.387 1.566 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1Cc1cn(Cc2ccccc2F)nn1 2298050213 MSQXYSWDYRRMRJ-UHFFFAOYSA-N 343.362 1.830 0 40 EDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccc(F)cc2)nn1 863391520 LQUPIRUIYIJSLM-AWEZNQCLSA-N 345.334 1.597 0 40 EDAB COc1ccc(S(=O)(=O)N(C)Cc2cc(C)on2)cc1OC 31657048 BLMGNJLOGROAOT-UHFFFAOYSA-N 326.374 1.821 0 40 EDAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCOCC1 20440124 DIJNOOIJWNLANI-UHFFFAOYSA-N 331.372 1.534 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)NCc1ccc(-n2cccn2)cc1 40529420 XYZVOVNTTWEXRT-CQSZACIVSA-N 347.444 1.279 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccc(Cl)s1 40510121 ASVGJFCOVAUTQT-MRVPVSSYSA-N 341.820 1.897 0 40 EDAB COCCn1c(C)c(C)c2c(NCCN3CCOCC3)ncnc21 20589614 HKIRDUOANUYRSM-UHFFFAOYSA-N 333.436 1.439 0 40 EDAB C[C@H](C(=O)NCc1cnn(C)c1)N1CCN(c2ccc(F)cc2)CC1 69709722 GZOVNKWZOKRHTF-CQSZACIVSA-N 345.422 1.386 0 40 EDAB Cc1ccc(CCC(=O)NCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 69700735 UDGQAIOVOIYJJI-HOCLYGCPSA-N 345.443 1.156 0 40 EDAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)C)=C2)cc1 6800326 WMBWYDPYJDSQAU-UHFFFAOYSA-N 337.401 1.083 0 40 EDAB CCOC(=O)c1oc2ccccc2c1COC(=O)C1=NNC(=O)CC1 7427098 LCQYLAPUHCNTEJ-UHFFFAOYSA-N 344.323 1.919 0 40 EDAB O=C(C1CCN(c2cnccn2)CC1)N1CCC[C@@H]1Cn1cccn1 70040813 VMNSFXVYYPFPKL-MRXNPFEDSA-N 340.431 1.581 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1ccccc1 11999366 KVHPOCPXRBBPDI-HNNXBMFYSA-N 348.424 1.997 0 40 EDAB COc1ccc(CCNC(=O)C(=O)Nc2cncs2)cc1OC 10372549 KBPSBNTUSVDRBR-UHFFFAOYSA-N 335.385 1.458 0 40 EDAB C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccccc1 8181737 KDONMWOYLGVXKZ-GFCCVEGCSA-N 336.388 1.981 0 40 EDAB CCCn1c(SCC(=O)NC(=O)NCC)nc2ccccc2c1=O 8195198 ZUWQVEMCZDXOPS-UHFFFAOYSA-N 348.428 1.744 0 40 EDAB COc1ccc(C(=O)NCC(C)C)cc1S(=O)(=O)N1CCCC1 8476115 DBCTXNCMJWCTBZ-UHFFFAOYSA-N 340.445 1.866 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1C(C)C 8497595 OQUAPVZVIWBMFI-UHFFFAOYSA-N 326.418 1.281 0 40 EDAB CC(C)n1nccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 22289985 ANXYAFLNUGGNNT-UHFFFAOYSA-N 325.372 1.892 0 40 EDAB COc1ccc(/C=c2/sc3nc(-c4ccco4)nn3c2=O)cc1 33614903 XVJVHOIZEWIBHX-UKTHLTGXSA-N 325.349 1.967 0 40 EDAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCC(C)C 22961229 YHPIJGLEAOUNTF-MRXNPFEDSA-N 338.473 1.925 0 40 EDAB Cc1cnc(NC[C@@H]2CC(=O)N(C3CC3)C2)nc1-c1cnn(C)c1 23369439 IRCJEKRSHNCHGN-LBPRGKRZSA-N 326.404 1.608 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)o1 23305787 WNUFVZDRUXNLBG-LLVKDONJSA-N 335.385 1.263 0 40 EDAB CCn1ncc(S(=O)(=O)Nc2ncn(Cc3ccccc3)n2)c1C 2804350 ZTIYCRQRGRCWRK-UHFFFAOYSA-N 346.416 1.652 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1nc2ccccn2c1=O 47002733 WTLVIZIRZRAISF-KBPBESRZSA-N 332.404 1.208 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cnc2n(c1=O)CCS2 47005437 IEZJXSIGPKAREH-YPMHNXCESA-N 337.445 1.674 0 40 EDAB CSc1nc2ncc3c(=O)n(CCN4CCCCC4)ccc3n2n1 12322408 HQPWJTYOAMXUQN-UHFFFAOYSA-N 344.444 1.647 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(c2ccncc2)CC1 24085902 LHJIYEPYTCBVJY-UHFFFAOYSA-N 339.395 1.744 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)N[C@H]1CCCN(c2ncccn2)C1 43049162 FDEYKXZHRDTTNF-HOTGVXAUSA-N 341.415 1.478 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)COc2cccc(S(C)(=O)=O)c2)C1 47368237 ZXXILQBPDQAPOT-CHWSQXEVSA-N 325.430 1.973 0 40 EDAB CC(C)NC(=O)NCc1ccc(C(=O)N[C@@H](C)Cn2cccn2)cc1 24806710 ZYXWBFHEWFJVAP-AWEZNQCLSA-N 343.431 1.909 0 40 EDAB O=C(Cc1cn2ccsc2n1)N1CCN(C(=O)c2ccoc2)CC1 25235588 HKPORZSMOASREQ-UHFFFAOYSA-N 344.396 1.516 0 40 EDAB CN(CCC(=O)N1CCc2sccc2C1)[C@@H]1CCS(=O)(=O)C1 55899240 NGGCZUWISFNRAN-CYBMUJFWSA-N 342.486 1.142 0 40 EDAB Cc1cc(NC(=O)CN(C[C@@H]2CCCO2)C[C@H]2CCCO2)n(C)n1 47776115 XPWNXACIIBIVJW-GASCZTMLSA-N 336.436 1.327 0 40 EDAB CN(CC(=O)N(Cc1ccco1)C1CC1)c1ncnc2[nH]cnc12 56633571 ABYJUXJIJKVGPK-UHFFFAOYSA-N 326.360 1.573 0 40 EDAB O=C(O)CCN1CCN(C(=O)c2ccc(Br)o2)CC1 35686986 MLRWDNJCBUZJPO-UHFFFAOYSA-N 331.166 1.275 0 40 EDAB COc1ccc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 102684831 KYTXCSLDFMQCSI-KBUPBQIOSA-N 338.363 1.537 0 40 EDAB C[C@@H](SCc1ccccc1)C(=O)N1CCCN(CC(N)=O)CC1 58223750 GWOIAJVPWRCUQP-CQSZACIVSA-N 335.473 1.328 0 40 EDAB Cc1cc(N2CCC(C(=O)NCc3ccco3)CC2)n2ncnc2n1 58281918 SNCNKNAIEBGTGY-UHFFFAOYSA-N 340.387 1.559 0 40 EDAB Cc1nccn1CCCNS(=O)(=O)c1cnn(-c2ccccc2)c1 58265510 FRVBRRSRNQKFGL-UHFFFAOYSA-N 345.428 1.746 0 40 EDAB O=C1NCCCC[C@@H]1NC(=O)N1CC=C(c2ccc(O)cc2)CC1 44968014 YQHBNQAZTATXBO-INIZCTEOSA-N 329.400 1.860 0 40 EDAB Cc1nc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cs1 58366023 VBVBNLCXECIZLV-OAHLLOKOSA-N 330.369 1.758 0 40 EDAB COCCN(CCOC)C(=O)COC(=O)c1ccc(F)cc1Cl 3373454 XAOBOSRFDSPLKD-UHFFFAOYSA-N 347.770 1.757 0 40 EDAB CSCCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 3342191 XZHGMLMOZSDMNO-UHFFFAOYSA-N 342.486 1.581 0 40 EDAB CCCc1c(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)[nH]c(C)c1C(C)=O 48228097 DJOQDIAMYBGANY-LBPRGKRZSA-N 340.445 1.737 0 40 EDAB O=C(NCCNc1ncccn1)NC[C@@H](c1ccco1)N1CCCC1 48235067 KVGBMLFVNMWXGN-AWEZNQCLSA-N 344.419 1.618 0 40 EDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC1CCC(O)CC1 12794808 LZQPBRSDKZEZQB-LEOMRAHMSA-N 332.444 1.790 0 40 EDAB O=C(Cn1nnn(-c2cccs2)c1=O)c1ccc2c(c1)OCO2 48300090 YGMAMEBQNJXZKS-UHFFFAOYSA-N 330.325 1.102 0 40 EDAB CCc1nnc2ccc(N3CCC[C@@H](C(=O)NCC4CC4)C3)nn12 68667308 SEHPUKXXNMVITO-CYBMUJFWSA-N 328.420 1.429 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306144453 ZFTKSMRTYQERLS-CYBMUJFWSA-N 326.418 1.291 0 40 EDAB CCCN(CCC)C(=O)CCC(=O)NCCN1C(=O)CSC1=O 69488466 NMIYNFDEQBRBEC-UHFFFAOYSA-N 343.449 1.227 0 40 EDAB CCOc1ccc(S(=O)(=O)NC2CCC(C(N)=O)CC2)cc1C 69814384 JYXPTZAHCCTEBZ-UHFFFAOYSA-N 340.445 1.716 0 40 EDAB CCCC(=O)NCC(=O)N1CCN([C@@H](C)c2ccccc2F)CC1 69813576 GZJUSVBBBCHIJV-AWEZNQCLSA-N 335.423 1.947 0 40 EDAB COCCCNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C 69807734 SECATYYNRCFZSK-UHFFFAOYSA-N 343.431 1.330 0 40 EDAB C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1csc2ccccc12 69811277 QFBHMDZUGZGCKV-SNVBAGLBSA-N 329.381 1.629 0 40 EDAB COc1cccc(NC(=O)N2CCN([C@@H](C)C(=O)NC(C)C)CC2)c1 69516955 XLLJMGHMQNADPL-AWEZNQCLSA-N 348.447 1.758 0 40 EDAB COc1ccc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 69562380 UWXOGEWBTOHZPM-CQSZACIVSA-N 347.415 1.397 0 40 EDAB NC(=O)c1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 91766505 VKMVJMDPIUTUEC-XHDPSFHLSA-N 347.321 1.407 0 40 EDAB CCOCCN1CCN([C@H](C(N)=O)c2ccc(F)cc2)C[C@H]1CC 69698050 AWALANLJSLMRQC-SJORKVTESA-N 337.439 1.785 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCC(=O)Nc1cc(C(C)(C)C)no1)CC2 69652196 ZIJBDDCERFZNHM-NSHDSACASA-N 346.435 1.669 0 40 EDAB O=C(C[C@H]1CCCO1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 69658673 QFJUTVMEIHQSBP-IAGOWNOFSA-N 330.428 1.905 0 40 EDAB CCOC(=O)C1(NC(=O)[C@H]2CC(=O)N(CC)C2)Cc2ccccc2C1 69666524 ALUOMRXWFXSCLJ-HNNXBMFYSA-N 344.411 1.072 0 40 EDAB Cn1cc([C@@H]2CCCN2CC(=O)NC2CCN(C3CC3)CC2)cn1 69980994 PHPQHJZXCDQIHW-KRWDZBQOSA-N 331.464 1.300 0 40 EDAB CCCCNC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)OC 4704327 KQYHWOSTORULJN-OAHLLOKOSA-N 334.416 1.583 0 40 EDAB Cc1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1F 8735562 WRUAJGHOBOYCPS-UHFFFAOYSA-N 333.348 1.577 0 40 EDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1nnnn1C 8769710 PSJIGIZRLFYMPS-UHFFFAOYSA-N 343.416 1.147 0 40 EDAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)N2CCOCC2)cc1 8708835 KNZOHOHRNYZQAX-NSHDSACASA-N 349.416 1.010 0 40 EDAB COCCCNC(=O)Cn1nc(-c2cccc(OC)c2)ccc1=O 4968162 CEGIDTPCMNKJCC-UHFFFAOYSA-N 331.372 1.072 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc2c(c1)OCCO2 5902356 YVPFSEXPDJRCSA-UHFFFAOYSA-N 337.335 1.876 0 40 EDAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(N)=O 7191744 AEUJVOQAEPJDLN-UHFFFAOYSA-N 342.351 1.980 0 40 EDAB C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CCC(N)=O)C1=O 15503160 MHBXQXALJIFABH-ZDUSSCGKSA-N 340.177 1.092 0 40 EDAB C[C@H](NC1CCN(S(=O)(=O)C2CC2)CC1)C1CCN(C)CC1 90232069 AOZIISIJDDXDES-ZDUSSCGKSA-N 329.510 1.263 0 40 EDAB NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 8884415 YMMXIWJPQWQDIW-SNVBAGLBSA-N 333.207 1.088 0 40 EDAB Cc1cc(C(=O)OCc2nc(N)nc(N(C)C)n2)c2c(C)noc2n1 9155309 UDGIQHCPFAHHRC-UHFFFAOYSA-N 343.347 1.030 0 40 EDAB COc1cccc([C@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)c1OC 9088577 CJIIWDWXAOSYBN-SECBINFHSA-N 347.396 1.983 0 40 EDAB CCN1Cc2nc(OC)c(CNC(=O)[C@H]3CCCN(C)C3)cc2C1=O 71615259 VWTHXYVEQAVMIK-LBPRGKRZSA-N 346.431 1.024 0 40 EDAB Cc1ccnc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 9468791 WYROULCDAZHXFE-UHFFFAOYSA-N 339.442 1.796 0 40 EDAB CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCc1nccc(N)n1 84169544 SPKSGPIZCYGCBE-SNVBAGLBSA-N 337.449 1.013 0 40 EDAB Cc1nc2sc(C(=O)OCC(=O)N[C@@H](C)C3CC3)c(C)c2c(=O)[nH]1 9535874 RFOYLYYOSUOMBK-QMMMGPOBSA-N 349.412 1.673 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c1 71869784 XKTWQBPSKPJPRY-CVEARBPZSA-N 330.432 1.441 0 40 EDAB C[C@@H](CCN(C)C)NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 71841866 IHGCWYDZCJJDHR-AWEZNQCLSA-N 348.447 1.621 0 40 EDAB C[C@@H](NC(=O)CN(C)C[C@@H]1CCCN1c1cccnn1)c1ccco1 71859979 ZBMHVJINEAZPGR-CABCVRRESA-N 343.431 1.848 0 40 EDAB Cc1ccnc2nc(C(=O)N3CCCC[C@@H]3Cn3cccn3)nn12 71865171 PSUXXWOFOBHXHR-CYBMUJFWSA-N 325.376 1.324 0 40 EDAB CC(C)[C@H](NC1CCOCC1)C(=O)NCCCOC[C@@H]1CCCO1 71916782 ZTVRJUBWFXXXCS-IRXDYDNUSA-N 342.480 1.482 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](c2ccsc2)N(C)C)C1 89954644 QKPOJFUJSREPKN-HUUCEWRRSA-N 338.477 1.661 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CN1Cc1ccco1 72283076 YCUKZIPCAFFOPG-UONOGXRCSA-N 342.399 1.757 0 40 EDAB Cc1ccc([C@H](CNc2ccc3nnnn3n2)N2CCOCC2)s1 72276392 AXIIRUHBKNCFDU-LBPRGKRZSA-N 345.432 1.375 0 40 EDAB COc1ncnc2c1CN(Cc1cc(=O)n3cccc(C)c3n1)CC2 97202157 GRNPEWGPVMYMLV-UHFFFAOYSA-N 337.383 1.360 0 40 EDAB CC(C)c1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)n(-c2ccccc2)n1 72404205 HJORNHZCKPHQFH-ZDUSSCGKSA-N 347.440 1.913 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 75606886 YBDRBDSIOAHHHU-RDJZCZTQSA-N 344.459 1.429 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1cccnc1)c1nnc2ccccn12 84456481 LVENMLKJWCRCAV-AWEZNQCLSA-N 331.401 1.800 0 40 EDAB CCN1CCCC[C@H]1CNC(=O)N(CC)[C@@H](C)CS(C)(=O)=O 75611064 QNQFTZKYIDWHSS-KBPBESRZSA-N 333.498 1.325 0 40 EDAB C[C@@H]1Cc2ccc(F)cc2CN1Cc1nc(CS(C)(=O)=O)no1 75764957 KWNVUIWUGWQISP-SNVBAGLBSA-N 339.392 1.700 0 40 EDAB NC(=O)c1cccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)n1 76019091 NCXWSUWQFLYULO-UHFFFAOYSA-N 345.403 1.047 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CSc3ccccc3O2)C[C@H]1N1CCOCC1 76053827 YVSBPYFJMLXGLS-FMKPAKJESA-N 348.468 1.719 0 40 EDAB C[S@@](=O)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 76016876 JVCKJVUFLANMHM-HJPURHCSSA-N 337.489 1.576 0 40 EDAB O=C(N1CCN([C@H]2CCC[C@@H]2O)CC1)C1(c2ccc(F)cc2)CC1 78789512 WHMLRRGLNIHRDG-IRXDYDNUSA-N 332.419 1.915 0 40 EDAB NS(=O)(=O)Cc1ccc(NC(=O)CC2(O)CCCCC2)cc1 74192920 WLKIXCTYMBVIPV-UHFFFAOYSA-N 326.418 1.499 0 40 EDAB C[C@H](Cc1ccc(F)cc1)NC(=O)CN(C)c1ncnc2[nH]cnc12 95954297 TVQZGGUDOMSFAX-LLVKDONJSA-N 342.378 1.676 0 40 EDAB Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)CN1CCOCC1 95943916 GFBNUUGGPUFGJN-KRWDZBQOSA-N 343.427 1.969 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)n1 78879672 OUJWDEQCCWFFII-CQSZACIVSA-N 347.419 1.553 0 40 EDAB CN1CCC(N(C)c2ccccc2CN[C@H]2CCC(=O)N(C)C2)CC1 89375220 ORROYGNLADWPIL-KRWDZBQOSA-N 344.503 1.927 0 40 EDAB CCc1ccc2c(CN3CC(OCC(=O)NC)C3)cc(=O)oc2c1 75094654 GWVDUAIRVQWHJV-UHFFFAOYSA-N 330.384 1.302 0 40 EDAB Cc1occc1CN(C)C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 89540693 AYBSLFIZFNVGEV-KRWDZBQOSA-N 342.395 1.974 0 40 EDAB CN(C)S(=O)(=O)NCc1csc(CCc2ccccc2)n1 75107021 DUFCGYVSMRQMQR-UHFFFAOYSA-N 325.459 1.824 0 40 EDAB CC(C)n1ncc2cc(/C=C/C(=O)NCC(F)(F)F)c(=O)[nH]c21 89893871 SZIXQIVDJOIJJL-ONEGZZNKSA-N 328.294 1.997 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1 24258317 WEGVYOIMMZVXAJ-UHFFFAOYSA-N 340.445 1.278 0 40 EDAB CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccccc2)cc1 67896913 GLWZIPJNXMKYPG-SJLPKXTDSA-N 340.379 1.830 0 40 EDAB biogenic,in-vitro CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CC(O)=NC1=O 64219683 DJQMOLLYUXAUMC-DTWKUNHWSA-N 346.405 1.431 0 40 EDAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)Cc1cccc(F)c1 548203923 ZCTRDYKBZHRFQW-GXFFZTMASA-N 331.365 1.125 0 40 EDAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(CC(F)(F)F)CC1 53836921 KTLPKNJQLPQEMW-UHFFFAOYSA-N 339.317 1.848 0 40 EDAB Cc1ccc(NC(=O)C[C@@H](NCCCN(C)C)C(=O)O)cc1Cl 56964151 NQNNGRUOZDHEBB-CQSZACIVSA-N 341.839 1.972 0 40 EDAB O[C@@H](CN1CCC[C@H](c2nnc3n2CCCCC3)C1)Cn1cccn1 76609650 HNCPFNHYASQUJW-HOTGVXAUSA-N 344.463 1.442 0 40 EDAB CN1C(=O)CO[C@H](c2ccc(NC(=O)CC(C)(C)C)cc2)[C@H]1CO 72321441 FTPFUYXWQCSNKY-RHSMWYFYSA-N 334.416 1.952 0 40 EDAB biogenic,in-vitro O=C(NCc1ccco1)C(=O)NC[C@](O)(c1ccccc1)C1CC1 70968422 CCNIYCJSLXAZFA-SFHVURJKSA-N 328.368 1.310 0 40 EDAB C[C@@H]1CC=CC[C@H]1COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 71860623 DPCVJLRPCHPZFT-NEPJUHHUSA-N 343.383 1.391 0 40 EDAB NC(=O)C1(CCCc2cnccn2)CCN(Cc2ccccn2)CC1 72367248 JOTKUPBHLZWHBE-UHFFFAOYSA-N 339.443 1.962 0 40 EDAB Cc1cccc(N2C[C@@H](C(=O)NCCNC(=O)C3CC3)CC2=O)c1C 43944982 YDAWERXROISLFX-HNNXBMFYSA-N 343.427 1.299 0 40 EDAB Cc1noc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 44454129 GTPKKJDJWDRXAY-JTQLQIEISA-N 334.763 1.701 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)O)C[C@H]2CCCO2)c1 567793922 JUBAJYQAACFDRK-CQSZACIVSA-N 341.429 1.948 0 40 EDAB COc1ccc(CCNC(=O)N2CC[C@@H](Oc3cccnn3)C2)cc1 225418344 URFQBOBBNDHIPZ-MRXNPFEDSA-N 342.399 1.891 0 40 EDAB CO[C@@H]1COC[C@@H]1NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 569787053 DHNSOIASSJXHSC-ZYSHUDEJSA-N 346.471 1.860 0 40 EDAB CN(Cc1ccccc1F)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 44365079 WSRXPQNUFGJHQU-ZDUSSCGKSA-N 328.409 1.456 0 40 EDAB Cn1nnn(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c1=O 75163076 VXAIJKWTXCIDLC-UHFFFAOYSA-N 331.282 1.497 0 40 EDAB Cn1nc2c(cc1=O)C[C@H](NC(=O)COc1ccc(Cl)cc1)CC2 225789124 RHBHZAUZAXZOMM-CYBMUJFWSA-N 347.802 1.486 0 40 EDAB O=C(N[C@H]1CCC[C@H]1C(=O)O)c1cn(-c2cccc(Cl)c2)nn1 573340187 NEGKYOMXFQESIE-NEPJUHHUSA-N 334.763 1.904 0 40 EDAB CN1C(=O)NC2(CCN(c3ncc(Cl)cc3Cl)CC2)C1=O 225823156 DGMNXYVUAWIZBB-UHFFFAOYSA-N 329.187 1.909 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)C1 225806223 XPDQLTANWCGMMS-GFCCVEGCSA-N 339.355 1.655 0 40 EDAB O=C(NC[C@H]1Cn2nnc(-c3ccsc3)c2CO1)[C@H]1CCCO1 96199195 JMRGVUUYMUXZSL-WCQYABFASA-N 334.401 1.201 0 40 EDAB Cc1ccc(CN(C(=O)COn2nnc3ccccc32)C2CC2)o1 96428807 LYZCMNBMPPCOQB-UHFFFAOYSA-N 326.356 1.953 0 40 EDAB O=C(Cc1ccco1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 96109063 VYCRLBWGYMOYHL-KDOFPFPSSA-N 328.368 1.771 0 40 EDAB CN(C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc3c2OCC3)C1 96502172 CBAWDQACBBEPQF-LLVKDONJSA-N 344.864 1.847 0 40 EDAB O=C(Cc1ccccn1)N1Cc2ccnn2C[C@H](COCC2CC2)C1 96189114 VESNUJFQIWQOSZ-MRXNPFEDSA-N 340.427 1.906 0 40 EDAB C[C@@H]1OCCN(S(=O)(=O)c2ccc(C(C)(C)C(=O)O)cc2)[C@@H]1C 578643782 BYECEWLBHUENIK-NEPJUHHUSA-N 341.429 1.847 0 40 EDAB CCCn1c(=O)n(CCN2C(=O)NC(C)(C)C2=O)c2ccccc21 96447907 RUBWVECVJVIJPD-UHFFFAOYSA-N 330.388 1.543 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC[C@H]2CC(=O)c2cccs2)cn1 96496177 DUWRYNACWSJALN-NSHDSACASA-N 339.442 1.908 0 40 EDAB CN1CCN(C[C@H]2OC[C@@H]3CCN(Cc4ccsc4)C[C@H]23)CC1 96083120 AVSNQVQMNKPKGC-OKZBNKHCSA-N 335.517 1.832 0 40 EDAB Cn1cccc1C(=O)N1CCC2(CC1)C[C@H](N1CCOCC1)CO2 96063067 AQNGSYZLLGKNKH-HNNXBMFYSA-N 333.432 1.121 0 40 EDAB COCC(=O)N1CC[C@H]2OCCC[C@@]2(COCc2cccc(C)n2)C1 96040162 MGZQOEZALZEQEH-MJGOQNOKSA-N 348.443 1.951 0 40 EDAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC[C@H](C)CN1CCOCC1 96490563 RITYYAOHALSFSK-XJKSGUPXSA-N 349.479 1.841 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1)c1ccccn1 583623224 WSLMWZAMLUGLOT-OLZOCXBDSA-N 342.403 1.194 0 40 EDAB O=C(c1cc2ccccc2[nH]1)N1CCC(N2C(=O)CNC2=O)CC1 244933194 CGPJHGBMDVVPAG-UHFFFAOYSA-N 326.356 1.324 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@H]2c2ccn[nH]2)c2c(C)noc2n1 257224010 DZXDMWYRTYGJLP-ZDUSSCGKSA-N 327.344 1.776 0 40 EDAB C[C@@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1CC1CCOCC1 253592098 SWGNHOYDQKIKJD-CQSZACIVSA-N 346.475 1.755 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1c1cncc(-c2cccc(C(=O)O)c2)n1 257232725 GMCJDPGOJHLDRY-OAHLLOKOSA-N 347.396 1.938 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1ccnn1C 257217892 DBAIHBMZGVDUAQ-MRXNPFEDSA-N 342.399 1.474 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC[C@@]2(C)CCC(=O)N2)C1(C)C 585117654 QBADBIIURRRCOJ-PSTGCABASA-N 325.453 1.937 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)c1ccc(Nc2ccn(C)n2)cc1 585100289 OVZRDTUHIZSGHD-UHFFFAOYSA-N 327.388 1.514 0 40 EDAB COc1ccccc1CCC(=O)N1CCN(C(C)C)[C@@H](C(N)=O)C1 257281357 OOUUJMBVTWPZDF-OAHLLOKOSA-N 333.432 1.034 0 40 EDAB CCc1nccn1CC(=O)NCc1ccnc([C@@H]2CCCOC2)n1 257335774 YLUMQFICPNCERN-CYBMUJFWSA-N 329.404 1.446 0 40 EDAB Cc1cc(CCC(=O)O)nc([C@H]2CCCN2C(=O)c2cnccn2)n1 257275402 NPGAUEREBJXPTK-CQSZACIVSA-N 341.371 1.570 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(Cc3cnccn3)CCO2)ccn1 257248739 JEZCXQQSKMSCNE-KRWDZBQOSA-N 327.432 1.771 0 40 EDAB O=C(CC1CCOCC1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257300510 RUONONDJZMYUSZ-OWCLPIDISA-N 330.432 1.942 0 40 EDAB COc1cccc([C@@H]2[C@H](C(=O)NCCC(=O)O)CC(=O)N2C2CC2)c1 263567909 GSOPFOFDNMOFST-RHSMWYFYSA-N 346.383 1.338 0 40 EDAB C/C(=C\c1ccccc1)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 271034137 JMPHZPFCIYFIHR-IYICPGQYSA-N 334.485 1.895 0 40 EDAB COC[C@@H](C)n1ccc(NC(=O)NC[C@H](O)c2cc(C)cc(C)c2)n1 390835830 ZEPRYJBCINCFPK-ZBFHGGJFSA-N 346.431 2.562 0 40 EDAB CO[C@]1(CCC(N)=O)CCCN(C(=O)/C=C/c2c(C)nn(C)c2C)C1 585290628 ROLRZHZIAAOOER-DKFQHHCZSA-N 348.447 1.323 0 40 EDAB CC(C)C[C@@H](NC(=O)c1cc(=O)n(C)cn1)C(=O)Nc1nccs1 585141758 XOUBCGMKOVSVSC-LLVKDONJSA-N 349.416 1.020 0 40 EDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)Cc4ccn(C)n4)CC3)O2)n1 585113440 HWJSRNRTSHRWKF-AWEZNQCLSA-N 345.403 1.567 0 40 EDAB Cn1cnc(CNC(=O)c2cccn(Cc3ccccc3F)c2=O)c1 585171881 JTCKALWEGIPLNN-UHFFFAOYSA-N 340.358 1.699 0 40 EDAB CNC(=O)C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cccn2C1 585099251 YWLWLZISNOYMEJ-HNNXBMFYSA-N 341.411 1.985 0 40 EDAB O=C(NCCn1cccnc1=O)c1csc(-c2ccccc2)n1 828208308 JOKZZSUENRENPY-UHFFFAOYSA-N 326.381 1.797 0 40 EDAB Cc1cc(NC(=O)CSCC(=O)NCCc2cccc(O)c2)no1 58180790 UNGRYFPDCSELAY-UHFFFAOYSA-N 349.412 1.719 0 40 EDAB CSCc1nc2ccccc2n1CC(=O)NC[C@H]1CN(C)CCO1 58281165 KULGVLGXGDXXPQ-ZDUSSCGKSA-N 348.472 1.346 0 40 EDAB CCOC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1CC(N)=O 58208544 LZJWUOPVBSEELR-QMMMGPOBSA-N 340.430 1.536 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)Nc1cccc(CN2CCCC2=O)c1 69349357 MDLWQNNEORERHF-ZDUSSCGKSA-N 342.403 1.611 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)c1 69420358 VBSJZRCCWKJJOD-MRXNPFEDSA-N 337.387 1.645 0 40 EDAB COCCN1CCN(CCC(=O)N2CCc3ccccc32)C[C@@H]1C 69706742 OYVQJWFPZXIVMK-INIZCTEOSA-N 331.460 1.618 0 40 EDAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC3(CCOCC3)C2)cc1 76178007 LLLJQZZJZYYBHZ-KRWDZBQOSA-N 348.443 1.887 0 40 EDAB Cc1cnn(CCCNC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)c1 95421849 HDXMGHQIMHCFTA-ZDUSSCGKSA-N 348.369 1.926 0 40 EDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCc1cccnc1 102896230 VUTKSEUIJUQXSW-GASCZTMLSA-N 329.400 1.306 0 40 EDAB O=C(CN1CCOC1=O)N1CCC(c2ccc3cccnc3n2)CC1 824296353 SYPIMCBBPSGWOK-UHFFFAOYSA-N 340.383 1.788 0 40 EDAB CC(C)NC(=O)Cn1ccnc1CCN1C(=O)c2ccccc2C1=O 84620524 IZBNDNOISBTVGG-UHFFFAOYSA-N 340.383 1.246 0 40 EDAB Cc1cccc(C[C@H]2CCN(C(=O)c3cc(O)nc(C)n3)C[C@@H]2O)c1 1615086762 SNWFZDYHOCRRTD-WBVHZDCISA-N 341.411 1.865 0 40 EDAB C[C@@H](c1nc(-c2ccccc2)no1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1616039487 YOGUKKCFTQBZBP-QIWZIZFYSA-N 339.351 1.960 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1NCCO 5278381 BHWPGECMVNUZMR-HIFRSBDPSA-N 334.416 1.943 0 40 EDAB CS(=O)(=O)c1snnc1C1CCN(C(=O)c2ccco2)CC1 12121383 KGWKQXZGDNRDMA-UHFFFAOYSA-N 341.414 1.554 0 40 EDAB C[C@H]1CN(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)C[C@H](C)O1 12146757 PXCYULNFGWMMLS-QWRGUYRKSA-N 348.428 1.190 0 40 EDAB CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(C)=O)CC2 19501415 YFBMNPKDKYLLNL-HNNXBMFYSA-N 346.431 1.528 0 40 EDAB CCCn1c(C)nnc1CN1CCN(C(=O)Cc2ccccn2)CC1 162007542 IMMARXMTWRSVJH-UHFFFAOYSA-N 342.447 1.278 0 40 EDAB CC[C@@H](O)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O 156192111 VYPDQOLYKLPQDF-OTYXRUKQSA-N 341.205 1.987 0 40 EDAB C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)sc2C1 16847788 YLOUBKGLTFCHTO-ONGXEEELSA-N 343.474 1.630 0 40 EDAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCNC(=O)NC(C)C)C1 581008426 HTEGNZRDDSWFRE-LSDHHAIUSA-N 326.485 1.711 0 40 EDAB COC(=O)c1cnn2ccc(NC(=O)COC[C@H]3CCCO3)cc12 585124917 ACZXQHHVPOTJLU-GFCCVEGCSA-N 333.344 1.255 0 40 EDAB COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)[C@@H]1CCN(C)[C@@H]1C 592797879 KWSDZPUOPHTZJO-SRABZTEZSA-N 332.444 1.863 0 40 EDAB CCCC(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 5782317 JYOACDFALNYXRG-UHFFFAOYSA-N 332.278 1.502 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NC[C@H](O)c1ccc(-n2cccn2)cc1 1888888185 PJMYWXSNHXAZBN-INIZCTEOSA-N 339.399 1.686 0 40 EDAB Cn1c(N2C[C@@H]3CN(C(=O)c4cnccn4)C[C@H]3C2)nc2ccccc21 1888888355 BISCTDXVCGLTFC-KBPBESRZSA-N 348.410 1.572 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)/C=C/c2cccnc2)c1 27307095 XXAZTAWMYYPPGP-BQYQJAHWSA-N 331.397 1.319 0 40 EDAB O=C(CCc1ccc[nH]1)N1Cc2nccn2C[C@H](Cn2cncn2)C1 1565547045 DOVLXGYBHXRKFD-AWEZNQCLSA-N 339.403 1.094 0 40 EDAB O=C([C@H]1CCC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1)N1CCCC1 1565548624 GNSHNGZZAJRVIL-MWDXBVQZSA-N 346.471 1.910 0 40 EDAB Cc1ccc(-n2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1Cl 4370411 ISYHZQXSSNFXFM-UHFFFAOYSA-N 343.774 1.935 0 40 EDAB CC[C@H](C)CNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713878 VJSRGJMVZRZKLV-KBPBESRZSA-N 348.447 1.080 0 40 EDAB O=C(CCc1ccc[nH]1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccncc1 2055751032 ZTLRNIREECPVNI-ZWKOTPCHSA-N 340.427 1.454 0 40 EDAB CCN(CC)CCN[C@@H](CC(=O)Nc1ccc(OC)cc1)C(=O)O 22791688 HBEAXTHRUVAIRB-HNNXBMFYSA-N 337.420 1.408 0 40 EDAB COc1ccc(OCc2noc(CNC(=O)c3cccnc3)n2)cc1 49027418 LIEBSPKDUGVJBE-UHFFFAOYSA-N 340.339 1.982 0 40 EDAB CCc1ccc(S(=O)(=O)NCc2cn(-c3cccnc3)nn2)cc1 575618150 JQWYCXUQRYNPJG-UHFFFAOYSA-N 343.412 1.703 0 40 EDAB O=C(Cc1ccc(Br)cc1)NCCn1ncccc1=O 11856310 IFWMXLCWTFSAKL-UHFFFAOYSA-N 336.189 1.365 0 40 EDAB CCCc1nc(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)cs1 102703597 GBNGQUSOZOXRNB-GFCCVEGCSA-N 332.429 1.947 0 40 EDAB CCCOC(=O)c1ccc(NC(=O)CN2CCCN(C)CC2)cc1 40161493 AXBJTFCHTAEPPQ-UHFFFAOYSA-N 333.432 1.829 0 40 EDAB COc1ccc(CNC2CCN(S(C)(=O)=O)CC2)c(OC)c1 30656149 IPGCSCZCXVJABK-UHFFFAOYSA-N 328.434 1.217 0 40 EDAB Cc1cc(C)cc(OCCN(C)C(=O)CC[C@@H]2NC(=O)NC2=O)c1 30894394 DMIMVHJCSXHPTL-AWEZNQCLSA-N 333.388 1.129 0 40 EDAB C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1nnc2ccccn12 40468725 OYZWVGHYBPSSLX-SNVBAGLBSA-N 337.339 1.551 0 40 EDAB CC(C)n1nc(C(=O)N[C@H]2CCCCNC2=O)c2ccccc2c1=O 40521218 ZDNWXCGRSLJBCP-AWEZNQCLSA-N 342.399 1.376 0 40 EDAB CCOc1ccc(CN(C)S(=O)(=O)c2cnn(C)c2)cc1OC 40528088 QALRWUVHISGPEG-UHFFFAOYSA-N 339.417 1.648 0 40 EDAB CN(C)c1ncc(CNS(=O)(=O)c2cc(F)ccc2Cl)n1C 69775227 ONNLCHTWNMPZFU-UHFFFAOYSA-N 346.815 1.757 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C2CCCCC2)CC1 17071292 IFEJEOCWBKMADD-UHFFFAOYSA-N 340.493 1.676 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 69742275 JHQRZTXJFXKYNQ-UHFFFAOYSA-N 348.428 1.461 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCC1(c2ccccc2)CC1 11749514 CRJAORTXILXTQO-UHFFFAOYSA-N 349.390 1.538 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1ccc(N2CCCCCC2)nc1 29785919 DHDGPJPARWLQNQ-UHFFFAOYSA-N 340.431 1.930 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)cn1 69437836 ONDKPNQRIXPWQF-AWEZNQCLSA-N 327.388 1.423 0 40 EDAB O=C(COC(=O)c1cccnc1Cl)NCc1ccc2c(c1)OCO2 2653889 VRWINWWWFRSXPU-UHFFFAOYSA-N 348.742 1.937 0 40 EDAB C[C@@H]1Cc2cc(C(=O)Nc3nncs3)ccc2N1S(C)(=O)=O 21214728 UGEGIKMMQMHCHL-MRVPVSSYSA-N 338.414 1.501 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 3060598 ILKLCFSDXOGDBE-UHFFFAOYSA-N 328.777 1.528 0 40 EDAB Cc1ccc(CN(C)[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 32797220 QOXQTWGWXZYEQT-GDBMZVCRSA-N 338.473 1.461 0 40 EDAB CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 32857546 FJCDKQJRAYCVBW-CQSZACIVSA-N 332.404 1.344 0 40 EDAB COC(=O)c1cnc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)s1 21898849 PDVIAFCCCIXOKI-VIFPVBQESA-N 331.353 1.994 0 40 EDAB Cc1ccc(S(=O)(=O)CCCn2cnc3ncccc3c2=O)cc1 91580118 CGYWBAJHWHAMBY-UHFFFAOYSA-N 343.408 1.964 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 52922344 SVXLVYNPAZQXPX-MSOLQXFVSA-N 329.444 1.636 0 40 EDAB Cc1ccccc1-n1ccn(CC(=O)NCc2ccccc2)c(=O)c1=O 22723610 DOJRVKHCOUCMDE-UHFFFAOYSA-N 349.390 1.624 0 40 EDAB COc1ccc2nc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)ccc2c1 54258347 VVEXZLBYFGXPMV-LBPRGKRZSA-N 334.397 1.503 0 40 EDAB C[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1nncn1C 47332300 QIWUAMBMELFGCR-CQSZACIVSA-N 342.447 1.840 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2[C@H]1C 105830540 RERYHNHFJIBFRI-OSAQELSMSA-N 328.434 1.996 0 40 EDAB CCOc1cc(C)nc(N2CCN(CCc3ccccn3)CC2)n1 105917337 IURMUHOZVKUFPV-UHFFFAOYSA-N 327.432 1.943 0 40 EDAB CC(C)CC[C@@H](C)NC(=O)NCc1cccc(S(N)(=O)=O)c1 47649429 LKFZYSNOLXJKAX-GFCCVEGCSA-N 327.450 1.958 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CCn2nc(O)c3ccccc3c2=O)C1 25377514 FRCQCSRTLSOPIM-BETUJISGSA-N 329.400 1.997 0 40 EDAB CCN(C(=O)CSCC(N)=O)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106832433 MAYKNQHNCOHKLY-GDBMZVCRSA-N 349.500 1.889 0 40 EDAB CCOC(=O)c1sc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1C 35163675 FDROZYFRPFDXQS-VIFPVBQESA-N 331.415 1.606 0 40 EDAB O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CCN(Cc2cn3ccccc3n2)CC1 107498778 ZYCOXAQNWIZJBX-BRWVUGGUSA-N 340.427 1.546 0 40 EDAB Cc1cccc2c1NC(=O)[C@]21N[C@@H](C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 102753538 DHPOEPXCIQUBMS-VCLWLLERSA-N 341.411 1.534 0 40 EDAB Cc1cc(=O)n(CC(=O)NC(C)C)c(N2CCc3ccccc3C2)n1 57506582 OSLFQBHMWRFAAS-UHFFFAOYSA-N 340.427 1.639 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C)[C@H]1CO 108497180 LIQOFSUUPLIONE-SWLSCSKDSA-N 343.493 1.937 0 40 EDAB O=C(NC[C@H]1CN2CCCC[C@H]2CO1)NC1Cc2ccccc2C1 108473147 RWKQZDSMCZSFKR-ROUUACIJSA-N 329.444 1.706 0 40 EDAB CCOc1ccc(OC[C@@H](O)Cn2nnc(-c3cccnc3)n2)cc1 58004110 UPZLIMOXQCSQMI-AWEZNQCLSA-N 341.371 1.574 0 40 EDAB CCN1CCN(c2ccc(NC(=O)c3nccnc3N)cc2C)CC1 10193151 QOGRXYSJSIAHSX-UHFFFAOYSA-N 340.431 1.761 0 40 EDAB C[C@@H]1Cc2cc(C(=O)Nc3ccc[nH]c3=O)ccc2N1S(C)(=O)=O 58157298 XJDILKMCPBWYQG-SNVBAGLBSA-N 347.396 1.338 0 40 EDAB COc1ccccc1N1CCN(C(=O)CN(C)c2cnccn2)CC1 48073136 ZEIVESAIKQGAGS-UHFFFAOYSA-N 341.415 1.270 0 40 EDAB COc1ccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 26097812 ATZFRCOMCVPFIN-VMPITWQZSA-N 338.429 1.249 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2cncn2-c2ccccc2)n1 10376449 KQTAPTJHTUVARR-UHFFFAOYSA-N 327.369 1.609 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)CN(C)c1ncnc2[nH]cnc12 58404795 UKSNDPPKPJXOCC-STQMWFEESA-N 346.435 1.501 0 40 EDAB C[C@@H](NC(=O)Cc1cn2ccsc2n1)C(=O)NCc1ccco1 58407092 RXBMNJVUUMJTLW-SNVBAGLBSA-N 332.385 1.352 0 40 EDAB C[C@H](CCc1ccc(O)cc1)NC(=O)NC[C@H]1CCS(=O)(=O)C1 45380123 DISNZUCGVVCASN-TZMCWYRMSA-N 340.445 1.447 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2ccc(Cn3cncn3)cc2)n1 11376358 FRBJPFUVFIHVRE-UHFFFAOYSA-N 342.384 1.063 0 40 EDAB CCCCN(CC(N)=O)C(=O)/C=C/c1cnn(-c2ccccc2)c1 45746287 JOAHBFWTLVUZCG-MDZDMXLPSA-N 326.400 2.000 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1CC(=O)NC 62386959 DGAQDUHMGFSFDW-VXGBXAGGSA-N 334.420 1.400 0 40 EDAB Cc1ccnc2nc(C(=O)NC[C@H]3COc4ccccc4O3)nn12 3435567 JCKGWKYIJYZYJS-NSHDSACASA-N 325.328 1.003 0 40 EDAB CCOc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 3607896 WXQAXEGBFRCYOZ-UHFFFAOYSA-N 331.372 1.888 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CSc2nnc(N)n2C2CC2)c1 69509733 XMECGWZBZKWOFY-UHFFFAOYSA-N 346.395 1.911 0 40 EDAB COc1cccc(C(=O)N2CCN(c3ncnc4[nH]ncc34)CC2)c1 82358142 WZBYSGKYHNIPOW-UHFFFAOYSA-N 338.371 1.324 0 40 EDAB C[C@H](CNC(=O)CCCOCCc1ccccc1)N1CCN(C)CC1 69892845 GXLUVCKBAAHQNM-GOSISDBHSA-N 347.503 1.778 0 40 EDAB CC1(C)NC(=O)N(C[C@@H](O)c2ccc(Br)cc2)C1=O 69892871 ZVWHFPVLJCDTES-SNVBAGLBSA-N 327.178 1.813 0 40 EDAB CCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 69849178 VWOHPIGWXGKBPR-JQWIXIFHSA-N 348.838 1.821 0 40 EDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)NCCc1ccccc1 5089051 SCUSJTFIBGXSQX-UHFFFAOYSA-N 325.347 1.838 0 40 EDAB Cc1cnn(CC(=O)N2CCCN(Cc3nccn3C(C)C)CC2)c1 69920456 BBMJWUXTQNMUPM-UHFFFAOYSA-N 344.463 1.703 0 40 EDAB COc1ccccc1[C@@H](C)NC(=O)Cn1cnc2c(cnn2C)c1=O 14068161 BJNLGIBFBIIXTL-LLVKDONJSA-N 341.371 1.016 0 40 EDAB CN(C)[C@H](CNC(=O)c1cccc(OCC(N)=O)c1)c1ccco1 65520624 ZQMNYJAWLVEXKP-CQSZACIVSA-N 331.372 1.176 0 40 EDAB COc1ccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)cc1OC 4996040 DXJUPWUSLBWCPU-UHFFFAOYSA-N 344.433 1.242 0 40 EDAB CCOc1ccc(-n2ccn(CC(=O)N3CCCC3)c(=O)c2=O)cc1 67255921 LFNMTGJOBRGOJJ-UHFFFAOYSA-N 343.383 1.020 0 40 EDAB Cc1ccccc1-n1ccnc1S(=O)(=O)Cc1nnc(C)n1C 90989285 TWSWEIVHYPJEDQ-UHFFFAOYSA-N 331.401 1.592 0 40 EDAB CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccc2c(c1)CCO2 71185450 KGOSZFRTWHRDLK-IUODEOHRSA-N 348.468 1.980 0 40 EDAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cn1ccc(=O)[nH]c1=O 68933619 ZCHOHWWEAJXNBH-ZDUSSCGKSA-N 329.400 1.409 0 40 EDAB C[C@@H](c1nc(C2CC2)no1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 69370423 ODYZPBQIQYREEZ-UONOGXRCSA-N 347.463 1.637 0 40 EDAB COc1ccc(CCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 75606253 PHVQGGYFNRCAPA-QZTJIDSGSA-N 332.444 1.685 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCc1nc(-c2ccccn2)no1 71829598 QCOHTAFERFTCBC-RYUDHWBXSA-N 343.387 1.177 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)N1CCN2CCCC[C@H]2C1 71839927 AZTLKYYLXUNEHJ-HNNXBMFYSA-N 340.427 1.483 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)c1 71869787 XKTWQBPSKPJPRY-JKSUJKDBSA-N 330.432 1.441 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(Cc3ncc[nH]3)CC2)c(C)s1 71893076 LJFCIIGJUSIQFC-UHFFFAOYSA-N 340.474 1.595 0 40 EDAB Cc1cnn(CCCNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 71905737 OILCMCGMGZILJI-WBVHZDCISA-N 341.415 1.312 0 40 EDAB O=C(CCOc1ccccc1F)N1CCN([C@H]2CCC[C@H]2O)CC1 72269107 ZJVCFKALEFBDJJ-JKSUJKDBSA-N 336.407 1.652 0 40 EDAB Cc1ccc(CN(C)C(=O)CNC[C@H]2CCCN2c2cccnn2)o1 72267408 DUEIHERTXUFDLS-OAHLLOKOSA-N 343.431 1.595 0 40 EDAB O=C(c1ccc(N2CCNC2=O)cc1)N1CCC[C@@H](n2cncn2)C1 72234784 FKLAFMNLYUPWAD-OAHLLOKOSA-N 340.387 1.285 0 40 EDAB CS(=O)(=O)NCCCN1CCC[C@@H]1c1nnc2n1CCCCC2 72291801 LFKXYNINMKBBJA-CYBMUJFWSA-N 341.481 1.081 0 40 EDAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1nccn1C 72275874 HLJAGWVOIJVJHU-KGLIPLIRSA-N 329.356 1.432 0 40 EDAB CC(C)c1nc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)no1 72232198 PHLCGBQQSQWLFX-OLZOCXBDSA-N 346.431 1.910 0 40 EDAB NC(=O)[C@H](NC(=O)[C@H]1OCCc2ccccc21)c1ccc(F)cc1 97147004 RKPRCLSYUYCBCQ-CVEARBPZSA-N 328.343 1.782 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N(C2CC2)[C@H]2CC(O)=NC2=O)cc1 97288659 KIMBTTMVEBQWMD-MDDUGHTDSA-N 341.367 1.306 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C12CCCC2 72535897 CPTHIIRPHLSZLO-ZIAGYGMSSA-N 333.432 1.865 0 40 EDAB NC(=O)CCN(C(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 84549140 OSRBMZXTGPEIOL-UHFFFAOYSA-N 339.351 1.540 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cnn(C)c2)C1=O 95398148 IEFSKDPEZUMFSV-CQSZACIVSA-N 330.363 1.793 0 40 EDAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](C(=O)N2CCCCC2)C1 95392976 LRLLKVCLYOTZQV-ZDUSSCGKSA-N 330.432 1.763 0 40 EDAB CCc1nnc(O)c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1CC 95447895 NYSIPGZFYHIKPG-GOEBONIOSA-N 327.384 1.695 0 40 EDAB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H](C)Cn2ccnc2)C1 78748003 MPZGIPKVJJWDDB-ARFHVFGLSA-N 349.479 1.998 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)NCc2coc3ccccc23)cn1 78869961 BJVFIHBGNVWNME-QGZVFWFLSA-N 328.372 1.873 0 40 EDAB COCc1nc(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)cs1 78901441 USQPPGOWAVTNER-SECBINFHSA-N 349.416 1.131 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)NCc2nnc3ccccn23)C12CCC2 73501227 VIIPEWIKFXLYNA-STQMWFEESA-N 329.404 1.876 0 40 EDAB O=C(O)[C@@H]1COCCN1C(=O)COc1cc(Cl)ccc1Cl 88373603 PXQNYQUYRADPIU-JTQLQIEISA-N 334.155 1.684 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)c1cc2c(s1)CCC2 89765023 VTBWSUFJUQYYNP-UHFFFAOYSA-N 342.486 1.686 0 40 EDAB Cn1cc(C(=O)N2CCN(c3ccncc3Cl)CC2)ccc1=O 89755073 PSTDFFINMNNJSD-UHFFFAOYSA-N 332.791 1.396 0 40 EDAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)cc1 64573664 MJEUNHQOQJJNGU-UHFFFAOYSA-N 328.459 1.651 0 40 EDAB O=C(O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O 409020939 WBALOHNOSIADML-YFHOEESVSA-N 338.341 1.237 0 40 EDAB NNc1c(Br)cncc1S(=O)(=O)N1CCCCC1 72210887 JGLZVHSNLNANDH-UHFFFAOYSA-N 335.227 1.304 0 40 EDAB COc1ncc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 218762939 ZJXHAZQZBDAMNM-OAHLLOKOSA-N 326.356 1.752 0 40 EDAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C(=O)O)cc1 218616392 YTWWPAWCLSQKMQ-XYJFISCASA-N 345.420 1.971 0 40 EDAB Cc1cccc(Nc2cncc([C@@H]3CCCN(C(=O)CN)C3)n2)n1 72360874 QFJNXGPUYPCMSC-CYBMUJFWSA-N 326.404 1.588 0 40 EDAB CCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(CCOC)C1 78602771 AFFHWXDYXSLBSI-OAHLLOKOSA-N 333.432 1.415 0 40 EDAB COc1ccc(-c2noc(CCC(=O)N3CCOCC3)n2)cc1OC 33781811 AZFYHVINKSXCNN-UHFFFAOYSA-N 347.371 1.545 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H](Oc2cnsn2)C1 675008075 VNDZHNKRVDLWBS-JTQLQIEISA-N 346.368 1.126 0 40 EDAB CC(C)(O)C(=O)N1CCN(Cc2sccc2Br)CC1 225432765 JWPUSFLNARSLQK-UHFFFAOYSA-N 347.278 1.926 0 40 EDAB O=C(O)c1ccccc1S(=O)(=O)N1CCC[C@H](n2ccnn2)C1 566913339 SESAKRRNMUJMIM-NSHDSACASA-N 336.373 1.002 0 40 EDAB Cn1nc(C(=O)Nc2cccc(C(N)=O)c2)cc1NC(=O)C1CC1 46089109 ANZWPCQLAUXBMD-UHFFFAOYSA-N 327.344 1.120 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCc3ccccc32)C1=O 44890843 RDKUGFNSRYZBSJ-KBXCAEBGSA-N 327.384 1.511 0 40 EDAB CN(C(=O)CN(C)S(=O)(=O)c1ccccc1)[C@@H]1CCCC[C@H]1O 223024690 BZIXOIOYZCUVNL-HUUCEWRRSA-N 340.445 1.069 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NCC2(CO)CC2)[C@@H]1c1cccc(F)c1 223226425 LHYVZFLXGKAPIA-HOCLYGCPSA-N 334.391 1.624 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(CCc2ccc3c(c2)CCO3)CC1 75715107 DOODGPDVYJFDBF-INIZCTEOSA-N 345.487 1.695 0 40 EDAB Cc1occc1-c1nnc(S(=O)(=O)C[C@@H]2CCCCO2)n1C 195109678 ZWAXNSRPURSIQQ-NSHDSACASA-N 325.390 1.726 0 40 EDAB Cc1ccn(CC(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(=O)c1 194876957 JGFNICJSNDHEBD-SJORKVTESA-N 347.459 1.041 0 40 EDAB O=C(NCC1CCOCC1)[C@H]1C[C@H]2[C@H](CCN2Cc2cccnc2)O1 96183673 SJEFPWHJGPLVQV-OKZBNKHCSA-N 345.443 1.356 0 40 EDAB CCc1ccc(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)o1 93735998 DUWLPTMKWZZDOI-UHFFFAOYSA-N 339.417 1.478 0 40 EDAB CCc1nn(C)c(CC)c1CNC(=O)Nc1c(C)ccn(C)c1=O 95437946 UIRTZIBXQGJEPI-UHFFFAOYSA-N 331.420 1.874 0 40 EDAB CC[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1c(C)nn(C)c1C 96439865 TVUAVICURVDLOK-PMPSAXMXSA-N 349.479 1.650 0 40 EDAB Cn1nccc1C(=O)N1CC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 96107864 PIUWCWCDSOZDAI-PXAZEXFGSA-N 346.362 1.407 0 40 EDAB Cn1ccnc1CN1CC[C@@H]2O[C@@H](COCC3CCOCC3)CC[C@@H]21 96186708 HYVQTDKQFIYJCF-SQNIBIBYSA-N 349.475 1.985 0 40 EDAB C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 230462921 KLROGDDOQRJUEU-XKQJLSEDSA-N 344.455 1.914 0 40 EDAB COCCCNC(=O)CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 96415732 QUJHMVZUMQSEQW-OAHLLOKOSA-N 336.407 1.873 0 40 EDAB CCC1=C(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)CCCO1 583621331 RGVUWQCKVTTWND-QGZVFWFLSA-N 334.420 1.753 0 40 EDAB Cc1cc(C(=O)Nc2nc([C@H]3CCCO3)n[nH]2)c2c(C)nn(C)c2n1 95476139 LBHVFRJVYHMLGZ-LLVKDONJSA-N 341.375 1.807 0 40 EDAB COCC(=O)N1CC[C@@]2(CN(C)C[C@H]2COCc2cccnc2)C1 96217466 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EDAB O=C1CC[C@H]2[C@H](CCN2C(=O)N2CCCC2)N1Cc1ccncc1 96083150 GGMDDIGMGOQEDS-HOTGVXAUSA-N 328.416 1.863 0 40 EDAB CCOC[C@H]1CCCN(Cc2cnc(N3CCN(C)CC3)nc2)C1 93419294 ZTZUOGLLSMZVKY-INIZCTEOSA-N 333.480 1.477 0 40 EDAB Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cccc3nccn23)n1 583620908 AZHDVOLMHTVDMH-YGRLFVJLSA-N 327.344 1.628 0 40 EDAB CCn1nc(C)c2nnn(CC(=O)Nc3cccc(F)c3)c(=O)c21 96182377 LIYDRBXRJYDYOQ-UHFFFAOYSA-N 330.323 1.094 0 40 EDAB C[C@@H]1CN(Cc2cnn(C)c2)C[C@]12CCN(c1cccnc1)C2=O 248117608 IZIVTRPIDSUWKJ-RDTXWAMCSA-N 325.416 1.690 0 40 EDAB O=S1(=O)CC[C@H](NC(=S)NCCc2c[nH]c3ccccc23)C1 244536483 ZWCLLMLJTLXJSP-LBPRGKRZSA-N 337.470 1.362 0 40 EDAB CC(C)[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CCCO1 584157818 ALFKXHZJGCQKCV-NVXWUHKLSA-N 349.479 1.845 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@H]3CCc4ccccc4NC3=O)CCO2)n1 248843270 MFJAYLHATUGQPJ-GJZGRUSLSA-N 327.388 1.440 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3cc(O)nc(O)n3)CCN2C)cc1 257333667 YCNWEYLAPDADJP-CQSZACIVSA-N 344.371 1.025 0 40 EDAB CS(=O)(=O)N1CCC(Cc2cccc(N3CCOC3=O)n2)CC1 257234000 GRQJUHYXIHJWAO-UHFFFAOYSA-N 339.417 1.252 0 40 EDAB NS(=O)(=O)c1ccc(F)c(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 584906927 JKYHXXFTVXKDRW-SRVKXCTJSA-N 340.420 1.916 0 40 EDAB COC(=O)C[C@H](NC(C)=O)C(=O)N1CCOc2ccccc2[C@@H]1C 585113936 FEXDKESZMRKMSY-FZMZJTMJSA-N 334.372 1.036 0 40 EDAB C/C=C(\C)C(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 585127923 MRDMIHMJJZTHGR-JCSUNJAGSA-N 328.409 1.067 0 40 EDAB CN(CC(=O)NC[C@@H](c1cccs1)N1CCOCC1)C1CCC1 585124309 VTYORONSLUDCTE-HNNXBMFYSA-N 337.489 1.722 0 40 EDAB C[C@]1(c2ccccc2)CN(C(=O)C[C@@H]2CCCS2(=O)=O)CCO1 585132102 OIUVFBOIKGMWOF-DOTOQJQBSA-N 337.441 1.728 0 40 EDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)C2CCN(C)CC2)n1 257311388 UJEYRPMWVGHANB-QGZVFWFLSA-N 345.447 1.118 0 40 EDAB O=C(CCc1cccs1)NC[C@]1(O)CCCN(c2ncccn2)C1 257316190 VENNXCIAKSUKGM-QGZVFWFLSA-N 346.456 1.618 0 40 EDAB O=C(O)CCC(=O)N1CCC[C@@H]1c1ccnc(CN2CCOCC2)c1 257269929 MRZWYLPSQJHSNU-MRXNPFEDSA-N 347.415 1.442 0 40 EDAB COCCOC[C@@H]1CCN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)C1 266443153 UVUFQKPEFSBWRC-CPUCHLNUSA-N 335.400 1.726 0 40 EDAB C[C@@H](C(=O)Nc1nnc(CCc2ccccc2)s1)n1cnnn1 604418778 BWINRIDKCSNRRE-JTQLQIEISA-N 329.389 1.510 0 40 EDAB Cc1csc(N2CCN(C(=O)c3c(C)nn4c3NCCC4)CC2)n1 1615549295 MJGAKEBKASDWLY-UHFFFAOYSA-N 346.460 1.734 0 40 EDAB Cn1nnc(CNC(=O)N2CCC[C@]3(C=Cc4ccccc4O3)C2)n1 1615570860 CDKYKQUVTOLVAM-KRWDZBQOSA-N 340.387 1.360 0 40 EDAB CO[C@@H]1CCC[C@H]1NC(=O)NCC[C@@]1(O)C(=O)Nc2ccccc21 1615587874 LTFGIUOWMLSDKG-CPUCHLNUSA-N 333.388 1.083 0 40 EDAB O[C@@H](CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)Cn1cccn1 298699676 HNCPFNHYASQUJW-CVEARBPZSA-N 344.463 1.442 0 40 EDAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cc2ccccc2[nH]1 390831258 QSYUNIBJAMFAOQ-ZDUSSCGKSA-N 347.382 1.614 0 40 EDAB COc1ccc2cc(CN3CCN(C)C[C@@H](C(N)=O)C3)ccc2c1 585182343 WCLNYQCDAOUYPQ-QGZVFWFLSA-N 327.428 1.697 0 40 EDAB CCOc1ccc(C(=O)N2CCN(c3cccnc3)C(=O)C2)cn1 585150318 QZGLEURWAATOFH-UHFFFAOYSA-N 326.356 1.364 0 40 EDAB C[C@@H](NC(=O)Nc1cnn(Cc2ccccn2)c1)C(=O)NC(C)(C)C 75146686 FTDPVVWWARAUJU-GFCCVEGCSA-N 344.419 1.751 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)n[nH]1 78901063 GGUOBELKMWGSSM-ZDUSSCGKSA-N 327.388 1.242 0 40 EDAB O=C(CCC(F)(F)F)NCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 107514720 CNIZWAQMPFSBCT-XRRVDJEJSA-N 344.333 1.642 0 40 EDAB O=C(O)C[C@]1(NS(=O)(=O)c2cccc(C(F)F)c2)CCOC1 1601938366 NPWUWXNVVADSBR-CYBMUJFWSA-N 335.328 1.536 0 40 EDAB CCNC(=O)NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 5381942 DWEZREIGLNXFDY-UHFFFAOYSA-N 331.372 1.880 0 40 EDAB COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 13582111 QBRZJGLAPGKZGU-UHFFFAOYSA-N 347.352 1.026 0 40 EDAB CC(C)Oc1ccc(CNC(=O)[C@@H]2C(=O)NC[C@H]2C(C)(C)C)cn1 585149487 ALHZKBPORCDHKZ-UKRRQHHQSA-N 333.432 1.893 0 40 EDAB O=c1c(Cl)c(N[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccccc1 3175595 WMGGHLRDSHLTIR-SNVBAGLBSA-N 339.804 1.485 0 40 EDAB CC(C)N1CC[C@H](N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)C1=O 1888842588 RXYYUEFBWDXREK-JYJNAYRXSA-N 341.411 1.117 0 40 EDAB Cn1ccc(CN2CCN(c3nc(O)cc(C4CC4)n3)CC2)cc1=O 1888854117 WHTZCWUTWBWDCT-UHFFFAOYSA-N 341.415 1.081 0 40 EDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cccnc5)C[C@@H]4C3)nn12 1888879389 JQIBGOYPOBSVCZ-GJZGRUSLSA-N 349.398 1.036 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)CCc3ccc[nH]3)CC2)C1=O 1565545071 DBUXCSJQFNWRQT-IBGZPJMESA-N 347.459 1.825 0 40 EDAB CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)C3(F)CCC3)CCO2)C1=O 1565550779 FFYMKUNLKKUHET-DNVCBOLYSA-N 346.402 1.732 0 40 EDAB O=c1cccnn1CCNS(=O)(=O)c1ccc(F)c(Cl)c1 11856389 HBXBEYWZAMTPAH-UHFFFAOYSA-N 331.756 1.014 0 40 EDAB COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)ccc1O 15080074 ATWHZNZYRZTXET-AWEZNQCLSA-N 345.359 1.628 0 40 EDAB Cn1ccc(C(=O)N[C@@H]2CCc3onc(CN4CCCC4)c3C2)n1 2055732760 ZFJHWHOWDVNCAJ-GFCCVEGCSA-N 329.404 1.291 0 40 EDAB Cc1cc(C)nc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086884466 WXLPTBWEPYYIDS-CYBMUJFWSA-N 340.374 1.556 0 40 EDAB C[C@@](O)(CNS(=O)(=O)Cc1cccc(F)c1)Cc1ccco1 206617878 HIWINJIRSLFNPS-HNNXBMFYSA-N 327.377 1.832 0 40 EDAB C[C@H](O)CNC(=O)N[C@H](CN(C)C1CCN(C)CC1)c1ccccc1 50135253 MUABRXSOARIXMC-MAUKXSAKSA-N 348.491 1.434 0 40 EDAB COc1ccc(C(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)cc1 40497807 LKFCYHFIBARGGR-UHFFFAOYSA-N 347.806 1.683 0 40 EDAB COc1ccnc(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 40556393 CIZPQROJCNKWOO-UHFFFAOYSA-N 331.351 1.978 0 40 EDAB NC(=O)[C@H]1CN(C(=O)Nc2ccc(Br)cc2)CCO1 51582303 UQBHXAKRPWDCIJ-SNVBAGLBSA-N 328.166 1.167 0 40 EDAB Cc1cccc(C)c1N(CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O 331632 YJTABUYUFIJLRP-CQSZACIVSA-N 340.445 1.365 0 40 EDAB CC(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1 557506 JTBSROPWFOAUIN-UHFFFAOYSA-N 336.442 1.966 0 40 EDAB CC(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101411377 BCBALDGXRAAYKN-GVAFMPQTSA-N 341.363 1.968 0 40 EDAB COC(=O)c1ccc(CNC(=O)COC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 101855971 ADAWEUHCYBVIDX-BPUTZDHNSA-N 343.379 1.845 0 40 EDAB NC(=O)C1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 32758232 ZUHQJOSNHUIARU-FUHWJXTLSA-N 332.444 1.639 0 40 EDAB CC(C)N1C[C@H](C(=O)Nc2ccccc2C(=O)NC2CC2)CC1=O 4511297 PWWZHEUVJSIDQN-GFCCVEGCSA-N 329.400 1.774 0 40 EDAB Cc1cc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)no1 32820584 IZGFVSDRJISEJU-UHFFFAOYSA-N 340.339 1.871 0 40 EDAB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1 6949331 YCNBVPGCPZDCNQ-XYOKQWHBSA-N 326.312 1.407 0 40 EDAB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)NC(N)=O 6951069 MIBLFAKUTSLZAH-GHXNOFRVSA-N 344.371 1.406 0 40 EDAB C[C@@H](NC(=O)CN1CCN(CCO)CC1)c1cc2ccccc2o1 69705647 QBUWFPRFSRKAII-CQSZACIVSA-N 331.416 1.220 0 40 EDAB CCOc1ccc(NC(=O)CNS(=O)(=O)N(CC)CC)cc1 69352061 UVMORNUKUOTJFT-UHFFFAOYSA-N 329.422 1.200 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(C[C@H](O)COCc3ccco3)CCO2)n1 69370620 RIGRFSOAYCTREV-FUHWJXTLSA-N 349.431 1.371 0 40 EDAB O=C(CNC(=O)c1ccco1)NCc1ccccc1Cn1cccn1 21973241 BZOVKNZWXPVXAY-UHFFFAOYSA-N 338.367 1.571 0 40 EDAB O=C(CNC(=O)c1ccc(F)cc1)NCCC(=O)Nc1ccccn1 52968824 WBPAWLYRAAJBJX-UHFFFAOYSA-N 344.346 1.096 0 40 EDAB Cn1cc(CCNc2nc3ccccc3nc2N2CCOCC2)cn1 91453924 AHVQUOUPJSKVKP-UHFFFAOYSA-N 338.415 1.855 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CC[C@H]1c1ccccc1 53080286 ISZPSKNOJZYIHM-AWEZNQCLSA-N 327.384 1.825 0 40 EDAB C[C@H]1CN(C(=O)NCc2cccnc2N2CCOCC2)C[C@H](C)O1 46891427 STEZISOQZUHQIW-KBPBESRZSA-N 334.420 1.237 0 40 EDAB COc1cccc([C@@]2(C)NC(=O)N([C@H](C)C(=O)NC3CC3)C2=O)c1 8326875 QBUHBYALKCWECQ-BMLIUANNSA-N 331.372 1.129 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)no1 42041359 NIOXTJZDOHKWQC-UHFFFAOYSA-N 344.419 1.259 0 40 EDAB C[C@@H]1CN(CCNC(=O)Cn2ccc(C(F)(F)F)n2)C[C@@H](C)O1 42031851 RMIONYAKRNUKKG-GHMZBOCLSA-N 334.342 1.127 0 40 EDAB O=c1cc(CNCCN2CCOCC2)c2cc3c(cc2o1)CCC3 22786064 NNIUQGVBZJFQLU-UHFFFAOYSA-N 328.412 1.704 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 22770642 XALUIWXVCWHNHE-CJNGLKHVSA-N 344.411 1.738 0 40 EDAB NC(=O)CN(C(=O)CCc1nc(-c2cccs2)no1)C1CCCC1 47236637 XWOGRVMFGDKZOQ-UHFFFAOYSA-N 348.428 1.987 0 40 EDAB Cc1cccc2nc(COc3cccc(S(C)(=O)=O)c3)cc(=O)n12 47364439 QYUIYUVMDUQTGL-UHFFFAOYSA-N 344.392 1.985 0 40 EDAB CCc1ccc([C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)C)cc1 23767830 IKTNKUBKAQORGX-KRWDZBQOSA-N 329.400 1.613 0 40 EDAB O=C(CN(C1CC1)[C@@H]1CCc2ccccc21)N[C@H]1CCCCNC1=O 106157470 XLQFVXVOXZDEGJ-ZWKOTPCHSA-N 341.455 1.923 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2csc3ccccc23)CC1 25233224 YUFMOLFBBYRETO-UHFFFAOYSA-N 331.441 1.842 0 40 EDAB Cc1noc(C)c1CC(=O)NCc1ccnc(N2CCOCC2)c1 25290547 ALAYTDIEHLUBQS-UHFFFAOYSA-N 330.388 1.382 0 40 EDAB C[C@H]1CN([C@H](CNc2ccc3nnnn3n2)c2cccs2)CCO1 106906145 GTDJZTDDXSDIPH-NWDGAFQWSA-N 345.432 1.455 0 40 EDAB O=S(=O)(Cc1ccccc1)NCc1cccc(Cn2cncn2)c1 56088014 MXFCOOSDKQLYOQ-UHFFFAOYSA-N 342.424 1.946 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 107312812 KBNUANSVSDABTD-ARKGTOAJSA-N 330.428 1.880 0 40 EDAB COc1cccc(CNCCNCCO)c1OCc1ccccc1 22075170 QWSDRKPTUPVXMF-UHFFFAOYSA-N 330.428 1.946 0 40 EDAB CC(C)C(=O)Nc1cccc(CNC(=O)[C@H]2CCCN(C(N)=O)C2)c1 27263069 CPSDJHLYBFTZPM-AWEZNQCLSA-N 346.431 1.688 0 40 EDAB CCN(Cc1ccccc1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 44892651 ORLMYLNRPQAXEJ-ZHACJKMWSA-N 327.384 1.146 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)OCc1nc(N)c2ccccc2n1 10200319 BKXXVPIXMCHGAK-UHFFFAOYSA-N 325.372 1.848 0 40 EDAB NC(=O)[C@@H](NCCNC(=O)Cc1ccc(F)cc1)c1ccccc1 58281947 XIPSKLIZSOWGEL-KRWDZBQOSA-N 329.375 1.301 0 40 EDAB Cc1cc(OCC(=O)NCCC(=O)O)c2c3c(c(=O)oc2c1)CCC3 2129552 VIVOAWZUVUYWIH-UHFFFAOYSA-N 345.351 1.560 0 40 EDAB biogenic CN1CCN(C(=O)C[C@H]2CC3(CCNCC3)c3ccccc32)CC1 306124915 CCAZXZBTUBLAKL-INIZCTEOSA-N 327.472 1.959 0 40 EDAB COC(=O)C(C)(C)N(C)S(=O)(=O)c1cc(OC)c(OC)cc1F 58431984 AXDOUICQGXHBIQ-UHFFFAOYSA-N 349.380 1.415 0 40 EDAB Cc1cc(=O)c(C(=O)NCC[C@H]2CCCO2)nn1-c1ccccc1F 58430890 QNCZXJROQMIQJX-CYBMUJFWSA-N 345.374 1.979 0 40 EDAB O=C(O)C[C@@H](NCc1cccnc1)C(=O)OCCOc1ccccc1 2245828 WQCFGYJADZRMOZ-MRXNPFEDSA-N 344.367 1.637 0 40 EDAB CN(C(=O)COC(=O)c1ccccc1-n1cnnn1)C1CCCCC1 3333870 FIWMMPDTCLWANJ-UHFFFAOYSA-N 343.387 1.610 0 40 EDAB O=C(COC(=O)CNC(=O)c1ccco1)Nc1cc(F)ccc1F 3309141 CCERXXRFBBEITB-UHFFFAOYSA-N 338.266 1.470 0 40 EDAB COc1ccc(F)cc1C(=O)COC(=O)c1ccc(C(N)=O)cc1 11225245 QNZKAUOHMRGWON-UHFFFAOYSA-N 331.299 1.973 0 40 EDAB O=C(NCc1cc[nH]n1)NC[C@H]1CN(Cc2ccccc2)CCO1 48230590 CLULEDNFWJUHCU-INIZCTEOSA-N 329.404 1.110 0 40 EDAB COc1ccc(NC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cn1 48251022 UZPQHFLBXPSMQZ-LBPRGKRZSA-N 342.421 1.026 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2COc3ccccc3C2)cc1 12755102 MIYNPXRDGGCIGH-AWEZNQCLSA-N 346.408 1.202 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12780016 NZZNBYJZOMXPPW-UHFFFAOYSA-N 345.790 1.891 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCCOC)cc1NC(=O)CC 408696485 BSWCNXJWZPATCU-UHFFFAOYSA-N 344.433 1.749 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)c2nonc12)c1cnccn1 17066711 TYSPNWIQXCDUSY-UHFFFAOYSA-N 326.316 1.102 0 40 EDAB O=C(NCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3430460 POWGLDHXATWGRD-UHFFFAOYSA-N 334.397 1.994 0 40 EDAB CCc1noc([C@H](C)N2CCN(c3nn4cc(C)nc4s3)CC2)n1 69436228 ZHWLVIWGMSDRIJ-NSHDSACASA-N 347.448 1.928 0 40 EDAB COC(=O)[C@H](C)CN(C)C(=O)CNC(=O)CCc1ccc(C)cc1 69451947 YBLFYRXFFYJLGV-CQSZACIVSA-N 334.416 1.311 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H](C)OC[C@@H]2CCCCO2)cc1 69420145 GFORHWRTIVEEFU-PBHICJAKSA-N 348.443 1.979 0 40 EDAB Cc1cnc(CN2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)cn1 69534893 SZCCIAMDHPJMRC-ZDUSSCGKSA-N 328.420 1.924 0 40 EDAB O=S1(=O)C[C@H](N2CCCCC2)[C@@H](S(=O)(=O)c2cccs2)C1 13371063 PUPQAWPIAVFQGX-RYUDHWBXSA-N 349.499 1.173 0 40 EDAB CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1OC 4019581 ONGSONDYWVHUFN-UHFFFAOYSA-N 330.344 1.035 0 40 EDAB CN1CCN(C(=O)NCCNc2ncccn2)Cc2ccccc21 69631875 SVINYCOHDNVHDQ-UHFFFAOYSA-N 326.404 1.550 0 40 EDAB CN(Cc1ccsc1)C(=O)COc1cccc(-n2cnnn2)c1 8561967 YBSYRJHQVCSMIP-UHFFFAOYSA-N 329.385 1.761 0 40 EDAB O=C1N(CCO)CCC[C@@]12CCN(c1nccc(C3CCCC3)n1)C2 91893215 DUMVXNAGBZSXOR-IBGZPJMESA-N 344.459 1.945 0 40 EDAB NC(=O)C1(N2CCN(C(=O)CC[C@H]3CCCO3)CC2)CCCCC1 69842015 INNIHCXYUPTRGD-OAHLLOKOSA-N 337.464 1.278 0 40 EDAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OCC(N)=O 13747516 GMLORADBUWHBSG-ONEGZZNKSA-N 344.161 1.810 0 40 EDAB C[C@H](c1ccc(NC(=O)CNC(=O)NC2CC2)cc1)N1CCOCC1 69817938 WBLVJWRSZARTTE-CYBMUJFWSA-N 346.431 1.480 0 40 EDAB CCOC(=O)N1CCN(C(=O)CNC2CCCCCCC2)CC1 6206298 FCNCTTFQGYELRG-UHFFFAOYSA-N 325.453 1.990 0 40 EDAB COc1cc(C(=O)N(C)Cc2nnc3n2CCC3)cc2c1OCCO2 65403828 IKZITOXERSDHMD-UHFFFAOYSA-N 344.371 1.276 0 40 EDAB O=C(NCCC(=O)N1CCCN2CCC[C@H]2C1)c1ccc(F)cc1 65587375 YBPKGNFQVRRYNN-INIZCTEOSA-N 333.407 1.642 0 40 EDAB COc1ccc(C(=O)N[C@H]2C(=O)NN[C@@H]2c2ccc(C)cc2)cc1 6480097 LJDHNDHATUFCQJ-HZPDHXFCSA-N 325.368 1.478 0 40 EDAB CC[C@H](C)NC(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 69974375 LRYVNOHDSJFYQR-HNNXBMFYSA-N 338.496 1.809 0 40 EDAB CC1CCN(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)CC1 6649392 QJRVXTQILSYUQU-UHFFFAOYSA-N 329.356 1.338 0 40 EDAB Nc1nc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n[nH]1 6607352 IXGFZGTXRQGVKT-UHFFFAOYSA-N 332.389 1.010 0 40 EDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CCCC3)C2=O)cc1 8734691 FLRAHSNOJHVMMT-SFHVURJKSA-N 345.399 1.521 0 40 EDAB CCOC(=O)C1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 6907879 PYPBDLCZPZXEKQ-UHFFFAOYSA-N 343.383 1.267 0 40 EDAB Cn1c(SCC(=O)N2CCC[C@H](C(N)=O)C2)nc2ccccc21 7154016 UJPGMHKSDPRYGE-NSHDSACASA-N 332.429 1.389 0 40 EDAB O=C1N[C@@H](C(=O)NCc2cccnc2-n2cnc3ccccc32)CO1 67816913 YPTMDULBFSTUGE-CYBMUJFWSA-N 337.339 1.145 0 40 EDAB Cc1cc(N2CCC[C@@H](OC(=O)CCN3CCCC3=O)C2)nc(C)n1 66733234 VODJFSDQBNEMGR-OAHLLOKOSA-N 346.431 1.618 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2nnc3ccccn23)c1C 9114430 OAPRAORJOAIIMS-UHFFFAOYSA-N 341.371 1.781 0 40 EDAB O=C(O)Cn1cc(C(=O)Nc2ccc(Br)c(F)c2)nn1 90719999 PUADQWMLJYJBRS-UHFFFAOYSA-N 343.112 1.517 0 40 EDAB COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CN(C)CCO2)c1 81008822 SILVYCZAIZSXJF-ROUUACIJSA-N 348.443 1.533 0 40 EDAB O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc2ccccc2n1 81088205 MLUNOGHLPLAMHX-QGZVFWFLSA-N 339.395 1.745 0 40 EDAB C[C@H](C(=O)NC1CCCCC1)N1CCC(CN2CCOCC2)CC1 69030378 LEAWHFVPHUULNG-MRXNPFEDSA-N 337.508 1.868 0 40 EDAB O=C(NC1CC1)c1cccc(OC(=O)c2cccn3c(=O)[nH]nc23)c1 96004159 OEFIBDLYKVPHDX-UHFFFAOYSA-N 338.323 1.134 0 40 EDAB Cc1ccc(O)c(CN2CCN(c3ccc(C(N)=O)cc3)CC2)n1 93533922 ZBJVZOWVJJWLAP-UHFFFAOYSA-N 326.400 1.517 0 40 EDAB O=S(=O)(c1c[nH]cn1)N1CCCC[C@@H]1c1nnc2n1CCCC2 97046864 RGMZRJYCMHOKJE-LLVKDONJSA-N 336.421 1.253 0 40 EDAB O=C1c2ccccc2C(=O)N1CCN1CCC[C@H]1[C@H](O)C(F)(F)F 71897116 UQGPXLBUCWQDMT-STQMWFEESA-N 342.317 1.670 0 40 EDAB CCCc1noc(CN(C)[C@@H]2CCCN(Cc3noc(C)n3)C2)n1 71870511 NYUFNRXXOJREMA-CYBMUJFWSA-N 334.424 1.810 0 40 EDAB O=C1[C@@H]2CCCN2C(=O)N1C[C@H](O)CO[C@H]1CCCc2ccccc21 71877702 IHJDIGQZWUNZII-XIRDDKMYSA-N 344.411 1.868 0 40 EDAB Cc1cc(OCC(=O)NCCc2nc3c(F)cccc3n2C)no1 71896396 DFCSUEUTBAPXIK-UHFFFAOYSA-N 332.335 1.747 0 40 EDAB Cn1cc([C@@H]2CN(S(=O)(=O)CC3CCCCC3)CCO2)cn1 97012683 UWEQPJSCLKQKJN-HNNXBMFYSA-N 327.450 1.704 0 40 EDAB CC(C)(C)S(=O)(=O)CCNC(=O)c1cccc2c1OCCO2 71904039 SGNMEHFDUKXUQF-UHFFFAOYSA-N 327.402 1.401 0 40 EDAB CCCNC(=O)NC(=O)CNC1(C(=O)N(CC)CC)CCCCC1 71911948 IZFDUFZRLFYHOV-UHFFFAOYSA-N 340.468 1.383 0 40 EDAB Cc1noc([C@@H](C)OC(=O)CN2CCN(Cc3ccccc3)CC2)n1 71921289 QOGLGOMKBSZWBB-CQSZACIVSA-N 344.415 1.800 0 40 EDAB COc1ccc(C)cc1NC(=O)Cn1nnn(-c2ccccc2)c1=O 9690142 TXGVRSBFGVMVNH-UHFFFAOYSA-N 339.355 1.385 0 40 EDAB O=C(c1ccco1)N1CCN(C2=CS(=O)(=O)c3ccccc32)CC1 9614857 IVUIJJWMYOPTKD-UHFFFAOYSA-N 344.392 1.823 0 40 EDAB O[C@@H](COCc1ccc2c(c1)OCO2)CN1CC(n2cccn2)C1 72254021 NBBDTDLEFCXPHF-OAHLLOKOSA-N 331.372 1.046 0 40 EDAB O=c1n(Cc2nnc(-c3ccccc3Cl)o2)nc2cnccn12 97107150 GXFRDOFVYPMOGP-UHFFFAOYSA-N 328.719 1.643 0 40 EDAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC2CC2)cc1 408600368 AHKYIJHAZPDCMF-NSHDSACASA-N 326.418 1.419 0 40 EDAB C[C@H](CNC(=O)c1nn(-c2ccccc2)cc1O)Cn1cccn1 76082399 UKCKZNCRGCVSIN-CYBMUJFWSA-N 325.372 1.841 0 40 EDAB O=C(CN1CC[C@H](Cc2ccc(F)cc2)C1)NCC(=O)N1CCCC1 76806753 NLZYELXCZDUXCD-MRXNPFEDSA-N 347.434 1.429 0 40 EDAB O=c1ccccn1CCN1CCN(C[C@@H](O)c2cccc(F)c2)CC1 95360775 BLNUNAVMETZFRV-GOSISDBHSA-N 345.418 1.339 0 40 EDAB CC[C@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@H]1N1CCOCC1 84736133 MPORXLGBJBPNDF-GOEBONIOSA-N 343.431 1.221 0 40 EDAB COCc1nn(Cc2cn3cc(Br)ccc3n2)c(=O)o1 95449300 LTILCVLPCSRHNG-UHFFFAOYSA-N 339.149 1.441 0 40 EDAB COc1ccc(C2(CNC(=O)[C@H](CO)NC(N)=O)CCCCC2)cc1 95451461 MGRFEDWSQSQBCR-HNNXBMFYSA-N 349.431 1.043 0 40 EDAB O=C(O)[C@@H]1COCCN1C(=O)/C=C/c1ccc(Br)s1 88374412 MFWMIGSTWJRAPT-LXOKAJLYSA-N 346.202 1.836 0 40 EDAB Cc1cc([C@H](C)NC(=O)c2cc(S(N)(=O)=O)c(C)o2)c(C)o1 88579997 ADOFWMQJQBCCFQ-QMMMGPOBSA-N 326.374 1.936 0 40 EDAB CN(Cc1ccccc1)S(=O)(=O)NC(=O)c1cccn1C1CC1 95995918 WYNJENVJZZHXOX-UHFFFAOYSA-N 333.413 1.930 0 40 EDAB CS(=O)(=O)NC1CCN(c2ccnc(Cc3ccccc3)n2)CC1 95944271 FHPUAXGOQQCONZ-UHFFFAOYSA-N 346.456 1.585 0 40 EDAB O=C(CN(Cc1cccc2nccn12)C[C@@H]1CCCO1)N1CCCC1 95986777 JUAJRAGGTSJWIJ-KRWDZBQOSA-N 342.443 1.938 0 40 EDAB CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CCCN(Cc2ccccc2)C1 74448291 WERYVQQOQABCEQ-INIZCTEOSA-N 340.427 1.517 0 40 EDAB CN(C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)c1cnn(C)c1 74958213 HDLAFKAWLINOIJ-QGZVFWFLSA-N 328.416 1.674 0 40 EDAB COC(=O)[C@H]1CN(Cc2nccn2Cc2ccccc2)C[C@@H](C)O1 89496976 ZMJMIHICKMSVQT-GDBMZVCRSA-N 329.400 1.694 0 40 EDAB COC(=O)c1coc(S(=O)(=O)N2CCC[C@H]2c2ccccn2)c1 89404410 MXTNXTOZERGROZ-ZDUSSCGKSA-N 336.369 1.987 0 40 EDAB COc1ccc(NC(=O)C(=O)NCC(=O)OC(C)C)c2cccnc12 75105735 VSWRRUMWEJWJMO-UHFFFAOYSA-N 345.355 1.250 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCN(C[C@H]2CCCO2)CC1 23675312 UDDCMQVRLRSALK-CQSZACIVSA-N 326.400 1.567 0 40 EDAB CNC(=O)[C@@H]1CN(c2ccc(-c3ccccc3Cl)nn2)CCO1 1548438404 HEWIXSTXHVWVKS-AWEZNQCLSA-N 332.791 1.748 0 40 EDAB COCCN1CCCN(C(=O)[C@H](C)Oc2cccc(C(C)=O)c2)CC1 79297815 HCLWPZCSSAYERZ-INIZCTEOSA-N 348.443 1.837 0 40 EDAB COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@H](C)N2CCCC2)c1 32916567 CPWRSZWWHGQDMN-ZDUSSCGKSA-N 340.445 1.544 0 40 EDAB O=C(Nc1ccnc2ccnn12)[C@@H]1CCCN1C(=O)c1ccco1 76640834 CGQMBBKWLJVOPC-NSHDSACASA-N 325.328 1.566 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccc(CN(C)C)cc2)CC1 1535615635 AYWWQUNLPCFQDW-BBRMVZONSA-N 329.444 1.783 0 40 EDAB Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)no1 38630863 DMQUKSQAFMJKHG-KRWDZBQOSA-N 346.406 1.841 0 40 EDAB CCn1nc(C)cc1NS(=O)(=O)c1cnn(-c2ccccn2)c1 72238914 VSBOPMRMPBEPDM-UHFFFAOYSA-N 332.389 1.593 0 40 EDAB O=Cc1cnc(NS(=O)(=O)c2ccc(Br)cc2)nc1 217379197 VNZLCGHMUWAIDF-UHFFFAOYSA-N 342.174 1.852 0 40 EDAB COC(=O)c1ccc(-c2ccc(CNCCNC[C@H](C)O)o2)cc1 38245871 JCBYQZGVQOOETB-ZDUSSCGKSA-N 332.400 1.793 0 40 EDAB CC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1 44301832 QJEYEVZDNDBKBX-HNNXBMFYSA-N 331.416 1.415 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(CC)s1 49590277 UODVVEXVKQCDJX-VIFPVBQESA-N 332.451 1.243 0 40 EDAB C[C@H](CCc1ccccc1F)C(=O)N1CCN([C@H](C)C(N)=O)CC1 80294910 SVXPMNUEHOOELO-ZIAGYGMSSA-N 335.423 1.412 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN([C@@H](C(=O)O)c2ccccc2C)C1 571571404 RJCBORHWFOIADZ-GXTWGEPZSA-N 326.418 1.134 0 40 EDAB O=c1c2c(nc3ccc(Cl)cn13)CCN(S(=O)(=O)C1CC1)C2 225781528 VJCDNCZDJYCSRE-UHFFFAOYSA-N 339.804 1.198 0 40 EDAB CCOC(=O)C1(O)CCN(C(=O)c2cc(Cl)cc(F)c2N)CC1 225804554 JVSFNXVUWOMHCO-UHFFFAOYSA-N 344.770 1.592 0 40 EDAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCCO 222825036 ROOIBHATJIWKNK-LBPRGKRZSA-N 326.824 1.966 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(c3ncc(F)cn3)C[C@H]2O1)N1CCCCO1 96206700 AVYHKSVEUYJADK-FPMFFAJLSA-N 336.367 1.154 0 40 EDAB CS(=O)(=O)N1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 96045161 HGKZLPXPHVMBLH-CQSZACIVSA-N 339.461 1.579 0 40 EDAB c1cnc(N2CC[C@H]3OCCN(Cc4ccncc4)[C@@H]3CC2)nc1 96082245 LRYSOELNLJUUDQ-IAGOWNOFSA-N 325.416 1.741 0 40 EDAB Cc1cc(CNC(=O)Cc2ccc(F)cc2)nc(N2CCOCC2)n1 96121293 FMMAWWRKWIBQLG-UHFFFAOYSA-N 344.390 1.620 0 40 EDAB Cn1nccc1C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 96245314 GTJFIEUDMMBMBA-HIFRSBDPSA-N 342.374 1.290 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)S1 96449651 FXTIGXBSLLSBEH-NSHDSACASA-N 329.429 1.812 0 40 EDAB CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]21 96185574 JHLFGERMRDIERR-VYDXJSESSA-N 349.500 1.690 0 40 EDAB Cc1noc(C)c1CN1C[C@@H](C)[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 96201703 KWUGBJAYYWUAJO-KZULUSFZSA-N 348.447 1.050 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccn1C)C2 96039540 PPYXZJWCFPOWDQ-IEBWSBKVSA-N 349.475 1.615 0 40 EDAB CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2nccn2C)C1 96420774 IOTJUKWYVMMGSB-CQSZACIVSA-N 335.452 1.504 0 40 EDAB CCN1CCN(C(=O)[C@H](C)c2cccnc2)C[C@@H]1c1nccn1C 583621474 QTFWMFMPGHLSII-GDBMZVCRSA-N 327.432 1.824 0 40 EDAB Cc1nnc([C@H]2COCCN2C(=O)[C@H]2Cc3cc(F)ccc3O2)o1 583623239 ZLBZAQQGBTUNPM-TZMCWYRMSA-N 333.319 1.421 0 40 EDAB CNC(=O)Cc1csc(NC(=O)c2ccnc(OCC3CC3)c2)n1 244933177 CFDFIHCIESNQTI-UHFFFAOYSA-N 346.412 1.868 0 40 EDAB CN(c1ncccn1)[C@@H]1CO[C@@]2(CCCN(c3ncccn3)C2)C1 248048181 MXHPKMQAXHPQKN-YOEHRIQHSA-N 326.404 1.531 0 40 EDAB COc1ccc(CNC(=O)NCCc2cc(C)n(C)n2)cc1OC 244969148 HBAGOCYDPWOOBD-UHFFFAOYSA-N 332.404 1.788 0 40 EDAB O=C([C@@H]1CCOC1)N1CCOC[C@@H]1c1nc(-c2ccccc2)no1 240756983 HVTHEISQYNDNLK-ZIAGYGMSSA-N 329.356 1.673 0 40 EDAB NC(=O)C1CCN(C(=O)Cc2csc(Cc3ccccn3)n2)CC1 42200082 YTCUARGMABNBIE-UHFFFAOYSA-N 344.440 1.395 0 40 EDAB Cn1nccc1-c1cc(C[C@H]2CCCN(S(C)(=O)=O)C2)ncn1 257234806 GVDPFELLYFBDPM-GFCCVEGCSA-N 335.433 1.091 0 40 EDAB COc1ccc(CN2CCN(C(C)=O)C[C@H](C(=O)N(C)C)C2)cc1 257268690 MMTUGOZDCDAGSC-MRXNPFEDSA-N 333.432 1.064 0 40 EDAB Cc1cnc(C(=O)N2CCC[C@H]2c2nccc(CN(C)C)n2)cn1 257246377 ITWOIQKXVPFQGL-HNNXBMFYSA-N 326.404 1.614 0 40 EDAB COCc1c(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)noc1C 257253410 JYVWPNSQSVYWOM-LBPRGKRZSA-N 346.387 1.743 0 40 EDAB CO[C@@H]1CC[C@@H]2OCCN(Cc3nc(N)c4ccccc4n3)[C@H]2C1 252486579 LVIOTYBEAHWZSW-KCXAZCMYSA-N 328.416 1.980 0 40 EDAB COCCOCCS(=O)(=O)Nc1ccc2oc(CO)cc2c1 585086360 JRAJQFHNPFCSGP-UHFFFAOYSA-N 329.374 1.330 0 40 EDAB CCOc1c(OC)cc(CNc2nc3cnccn3n2)cc1OC 585139152 SLICLEQNSFYNMI-UHFFFAOYSA-N 329.360 2.152 0 40 EDAB CC(C)C[C@H](NC(=O)c1cnc(O)n1C)C(=O)Nc1nccs1 585131848 HXKMFHKVLYEHKB-VIFPVBQESA-N 337.405 1.365 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@H](CO)c2ccccc2)C1 585101445 QRZYNBOMZXFFPO-DLBZAZTESA-N 330.428 1.527 0 40 EDAB CC1(C)Cc2cccc(OCC(=O)N[C@@H]3CCCC[C@@H](O)[C@@H]3O)c2O1 257281328 OOQXVLSGYIGQGF-CKEIUWERSA-N 349.427 1.560 0 40 EDAB Cn1cncc1-c1ccc(C[C@@H]2CCCN(S(C)(=O)=O)C2)nn1 257310472 UFEUPXSVVKQIOU-LBPRGKRZSA-N 335.433 1.091 0 40 EDAB CCOc1nccn2c(CNC(=O)c3cc4ncccc4o3)nnc12 253472865 QEIAZILVHVOIFT-UHFFFAOYSA-N 338.327 1.594 0 40 EDAB O=C1C[C@@]2(CCCN(C(=O)c3cc(N4CCCCC4)ncn3)C2)CN1 1615622375 LHAQKUKUFUOPBN-SFHVURJKSA-N 343.431 1.209 0 40 EDAB CCC[C@H]1[C@H](C)CCCN1C(=O)c1cn(CCN2CCOCC2)nn1 1615056423 XEJWHDPWUUPGMY-WBVHZDCISA-N 349.479 1.651 0 40 EDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(N[C@@H]1c3ccccc3C[C@H]1O)C2 1615001044 KGUCYXCTSAMSDN-XJNFMUPTSA-N 336.457 1.189 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@H](CNC(=O)c3ccco3)CO2)C1 575406107 VUQUWRBNJNXLRX-MCIONIFRSA-N 332.400 1.673 0 40 EDAB CC(C)CC(=O)N1CC2(CC[C@@H](CNC(=O)c3cnccn3)CO2)C1 575404048 LVQYWIXNDLVAMD-AWEZNQCLSA-N 346.431 1.260 0 40 EDAB Nc1ccc(C(=O)NC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 585286457 YJJSZQSGMVZWAM-SRCQZFHVSA-N 327.384 1.612 0 40 EDAB O=C(NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O)c1ccc(=O)oc1 585285763 RUCAFWLZUGYXNR-MZMPZRCHSA-N 343.379 1.978 0 40 EDAB Cc1ncc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCCC2)[nH]1 585097416 LMDRULDPMSGVMU-HNNXBMFYSA-N 342.447 1.815 0 40 EDAB Cn1nc(CC(=O)N2CCO[C@H]3CCC[C@@H]32)c2ccccc2c1=O 53382144 FLUMHCQXIDOUNZ-HOTGVXAUSA-N 327.384 1.256 0 40 EDAB O=C(NC1CCCC1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 70637937 JYMGSZQUGZHLPQ-UHFFFAOYSA-N 340.431 1.938 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCN(c2ccccn2)C1 195433306 HHGXXEBLGZHWEN-CQSZACIVSA-N 347.440 1.956 0 40 EDAB CC(C)(C)CCS(=O)(=O)NCCc1cn([C@H]2CCOC2)nn1 1615614764 REIJYWAIDRHFKL-ZDUSSCGKSA-N 330.454 1.138 0 40 EDAB O=C(O)Cc1csc(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)n1 1615615468 XREFCNIAFDKMSH-GFCCVEGCSA-N 336.344 1.529 0 40 EDAB NC(=O)CN1C(=O)S/C(=C\c2ccc(Br)cc2)C1=O 1237694 PCFGMZVQUJMEOC-UITAMQMPSA-N 341.186 1.971 0 40 EDAB Cn1c(=O)oc2cc(S(=O)(=O)NCCCCCC(=O)O)ccc21 5013554 DSGMAPJMUOWHGT-UHFFFAOYSA-N 342.373 1.055 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1nc(-c2cccnc2)oc1=O 12115870 VWHSKGRDHNQDTI-GFCCVEGCSA-N 336.351 1.876 0 40 EDAB Cc1nnc2ccc(N3CCN(C(=O)Nc4ccccc4)CC3)nn12 13700427 FGJGYLQWYGILMB-UHFFFAOYSA-N 337.387 1.787 0 40 EDAB COc1ccc(-c2cc3nc(CCNC(=O)C4CC4)nn3cn2)cc1 19558141 FVVHUEQREKOKBI-UHFFFAOYSA-N 337.383 1.869 0 40 EDAB COC[C@@H](O)CN1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 19593045 IZKSTZYVPZSGAC-KRWDZBQOSA-N 338.879 1.997 0 40 EDAB COCC(=O)NCC[C@H]1CCCCN1C(=O)Cn1nc(C)cc1C 19748982 PHJCEFRKQSNLCN-OAHLLOKOSA-N 336.436 1.034 0 40 EDAB Cc1cc(O)nc(N2CCC(NC(=O)c3sc(C)nc3C)CC2)n1 253537221 DMUBCEFXBZTRBW-UHFFFAOYSA-N 347.444 1.963 0 40 EDAB CN1C(=O)C[C@@H](CNC(=O)c2cc(Cl)c[nH]2)[C@@H]1c1nccn1C 570588828 XBITVQVANDFUOC-TVQRCGJNSA-N 335.795 1.351 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCN(C2CCOCC2)C1 1259493711 QMIGSWCXLPVXSI-AWEZNQCLSA-N 342.436 1.666 0 40 EDAB NC(=O)NC(=O)COC(=O)c1cccnc1Sc1ccccc1 15127278 DMHBCXFVNHAGMR-UHFFFAOYSA-N 331.353 1.585 0 40 EDAB CN1C[C@@H](CN2CCN(c3nsc4ccccc34)CC2)OCC1=O 1850014918 UUNQLXMVVWNKFQ-ZDUSSCGKSA-N 346.456 1.276 0 40 EDAB COCc1ccccc1CNC(=O)c1cc2c([nH]c1=O)CCCC2=O 25795155 VVIBVYPPUMAAHB-UHFFFAOYSA-N 340.379 1.970 0 40 EDAB CCCNC(=O)Cn1nc(C(C)C)c2cnn(C(C)(C)C)c2c1=O 36665890 QABGAXUZSGQJAT-UHFFFAOYSA-N 333.436 1.998 0 40 EDAB Cc1cc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)ncn1 1776008583 IIVREBOXHLEROS-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)cn1 2037985741 UVKXFXURZQIEHO-IBGZPJMESA-N 345.443 1.418 0 40 EDAB CCN=c1ccnc(N2CCN(Cc3ncoc3C(C)C)CC2)[nH]1 2087128271 KJDXXTZVHFSOFI-UHFFFAOYSA-N 330.436 1.764 0 40 EDAB O=C(N1CCC2(CC1)CCN(c1cncnc1)C2=O)C1(F)CCC1 1565548154 YJIULOQUVGNNON-UHFFFAOYSA-N 332.379 1.714 0 40 EDAB O=C(c1cc[nH]c1)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 1565547516 SJFOGZHCOUXIPB-IKGGRYGDSA-N 327.384 1.999 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2ccccn2)C(=O)C1 1775966430 DFMNLWDIMDBZBZ-UHFFFAOYSA-N 339.351 1.228 0 40 EDAB c1ncc(-c2cnc3n2C[C@]2(COCCN(CC4CC4)C2)C3)cn1 503729480 IZABUQIVEZSUEO-SFHVURJKSA-N 325.416 1.625 0 40 EDAB C[C@H](Oc1ccccc1F)C(=O)N1CC(CN2C(=O)COC2=O)C1 575617518 WKBVDYRFOZWNSM-JTQLQIEISA-N 336.319 1.030 0 40 EDAB O=C(NCCn1nc2c(cc1=O)CCC2)c1ccc(-n2cccc2)cc1 575621507 XQNQQUIIEIOXPS-UHFFFAOYSA-N 348.406 1.953 0 40 EDAB COCCOc1cc(CNC(=O)[C@H]2C(=O)NC[C@@H]2C(C)(C)C)ccn1 585149582 IGWMZAQKAKJBAL-ZFWWWQNUSA-N 349.431 1.131 0 40 EDAB Cc1ccc(OC[C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)nn1 2298066439 AYNWVSGKBSCJFU-CYBMUJFWSA-N 334.401 1.270 0 40 EDAB Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)s2)s1 40218159 DIGMKGISCDGQAL-UHFFFAOYSA-N 330.456 1.738 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccn(C)c(=O)c1 40496647 CGQZLRAHGONNBU-CQSZACIVSA-N 328.368 1.687 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)N3CCC[C@H]4CCCC[C@@H]43)cnc21 40485230 PHBIGUKQAYXESN-HIFRSBDPSA-N 343.431 1.701 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)n1nnc(-c2ccc(Cl)cc2)n1 31653338 CSXHJZQEUXFBFA-QMMMGPOBSA-N 345.798 1.436 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)NC[C@H](C1CC1)N(C)C 40555218 DZOIIJKFTIKWNG-OAHLLOKOSA-N 328.416 1.951 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCCN(C[C@@H]2CCCO2)CC1 40527713 RMLHZFPLGWROJJ-AWEZNQCLSA-N 342.436 1.701 0 40 EDAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccncc1)CC(=O)N2 31808213 QNLAUKIOSDYXPN-LLVKDONJSA-N 346.354 1.716 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)[C@H](C)N1Cc2ccccc2C1=O)C(=O)OC 32124508 REKRTOLWJQMGGP-TYNCELHUSA-N 332.400 1.735 0 40 EDAB biogenic COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)O)s2)cc1 11851432 MXDLCQQIWVNBGA-UHFFFAOYSA-N 328.371 1.959 0 40 EDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)cnc21 29606803 RBLAPPGRYMEMJU-GXFFZTMASA-N 330.388 1.413 0 40 EDAB COCCN(CC(=O)N(C)C)Cc1nc2ccccc2n1C(F)F 51922176 AYLSZTPDEGBDRF-UHFFFAOYSA-N 340.374 1.968 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1ccc2c(c1)CCO2 71185448 KGOSZFRTWHRDLK-DOMZBBRYSA-N 348.468 1.980 0 40 EDAB Nn1c(SCC(=O)NCc2ccccc2)nnc1-c1cccnc1 1291487 ZJEXYSKJRLHQPO-UHFFFAOYSA-N 340.412 1.462 0 40 EDAB C[C@H](Nc1ccc(F)c(NC(=O)C2CC2)c1)C(=O)N1CCNC1=O 32771691 XGPWOJVOSWEXEK-VIFPVBQESA-N 334.351 1.526 0 40 EDAB CCCc1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)sc1C 21473401 YTIKZXWRYRLENJ-UHFFFAOYSA-N 335.429 1.823 0 40 EDAB CC1CCN([C@H](C)CNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 41111182 PFMSAVNNFXRDBZ-CQSZACIVSA-N 338.473 1.940 0 40 EDAB CC(=O)N[C@@H](C(=O)O[C@@H](C)C(=O)Nc1cc(C)on1)C1CCCC1 32850560 MCVXGBJPSPTKLY-IINYFYTJSA-N 337.376 1.548 0 40 EDAB Cc1cc(NC(=O)CSc2nc(=O)n3cccc(C)c3n2)no1 4504108 RCKHKPHATUIYSH-UHFFFAOYSA-N 331.357 1.425 0 40 EDAB CN(C)C(=O)CN1CCCN(C(=O)c2ccc3c(c2)CCC3)CC1 32831262 MQEMGQOGWNANJY-UHFFFAOYSA-N 329.444 1.411 0 40 EDAB COc1ccc(OCC(=O)N2CCN(c3ncccn3)CC2)cc1 6405774 DAFSPBOLFLJTHZ-UHFFFAOYSA-N 328.372 1.213 0 40 EDAB CCCCCNC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 6597034 BNHRNLJIOPQEBQ-UHFFFAOYSA-N 328.434 1.768 0 40 EDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC 7686371 BYHCACCIJSYEBK-GFCCVEGCSA-N 347.458 1.201 0 40 EDAB CCOc1ccc([C@@H]2c3c(C)nnc(O)c3Nc3nnnn32)cc1 10298552 FYOYWEYBZZQPRQ-CYBMUJFWSA-N 325.332 1.571 0 40 EDAB CCOc1cc(CN2CCN(CCO)CC2)ccc1OC(F)F 89990978 UWQDTZHUDPKSPW-UHFFFAOYSA-N 330.375 1.797 0 40 EDAB COc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 12390956 RMVIMKRVHURDFM-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB O=C([C@@H]1C[C@@]2(CCCN(Cc3ccccc3)C2)CO1)N1CCOCC1 107230323 FWTFEXKGWPOBRQ-AZUAARDMSA-N 344.455 1.917 0 40 EDAB Cn1cc(C(=O)NCCCN2CCOCC2)c(=O)c2cc(F)ccc21 22236529 RKCGBTXCULRXKY-UHFFFAOYSA-N 347.390 1.130 0 40 EDAB Cc1cnn(CCC(=O)N2CCN(c3ncccc3Cl)CC2)c1 54100705 MXRUPCBZVKMBQM-UHFFFAOYSA-N 333.823 1.979 0 40 EDAB Cc1ccc(CC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1 47635062 KBZAKTCZUMVBOC-QZTJIDSGSA-N 332.444 1.391 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N[C@@H](c3ccccc3)C3CC3)cnc21 24027974 MISCUZTZHJQJBK-INIZCTEOSA-N 337.383 1.398 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)c3ccc[n+]([O-])c3)c2O1 24449109 NGMJVQOWTIPZHM-UHFFFAOYSA-N 328.368 1.842 0 40 EDAB COc1ccc(CCNC(=O)N[C@H]2CCCCNC2=O)cc1OC 43000764 VSUMWMVBAHYVQV-ZDUSSCGKSA-N 335.404 1.214 0 40 EDAB CS(=O)(=O)N1CCN(Cc2csc(-c3ccsc3)n2)CC1 24509539 DNAPPTQLXVMOSD-UHFFFAOYSA-N 343.499 1.949 0 40 EDAB CN(C(=O)CN1CCC[C@@H]1c1cccs1)[C@@H]1CCS(=O)(=O)C1 24821934 OEAHEVHBQBMEMG-CHWSQXEVSA-N 342.486 1.531 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)c1cscn1)CC2 108536343 LSNYUDNKSYFXNB-UHFFFAOYSA-N 337.445 1.634 0 40 EDAB COc1cc(C)nc(NC(=O)Cn2c(=O)sc3ccccc32)n1 1407788 WZBGTPTXRFXDIQ-UHFFFAOYSA-N 330.369 1.809 0 40 EDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCO[C@@H]2CCCC[C@@H]21 106825381 MIHAMGAVUCVLNS-OWCLPIDISA-N 330.432 1.863 0 40 EDAB O=C(NCCC(=O)N1CCCC1)c1c[nH]nc1-c1ccc(F)cc1 25254094 SEKRUOVAMDDFOG-UHFFFAOYSA-N 330.363 1.958 0 40 EDAB O=C(CCNS(=O)(=O)N1CCCCCC1)NC1CCCCC1 56130403 LRMIEKMWKUISEC-UHFFFAOYSA-N 331.482 1.536 0 40 EDAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)N[C@H]1CCS(=O)(=O)C1 57420081 QHGVYFGAPPADHT-NEPJUHHUSA-N 347.440 1.984 0 40 EDAB O=C(Nc1nc(-c2ccccc2)cs1)C(=O)N1CCC[C@@H](O)C1 48031908 VSXDARDLUZNUTK-GFCCVEGCSA-N 331.397 1.732 0 40 EDAB COc1ccnc(N2CCN(Cc3nc(CC(C)C)no3)CC2)n1 58172588 CALFZSZWGGYXSI-UHFFFAOYSA-N 332.408 1.389 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](N)C2)c(Br)c1 36297018 GVKXRDQAUHTHKK-JTQLQIEISA-N 333.251 1.869 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CC)cc1C 408611401 WDADSLOYTJFQTO-OLZOCXBDSA-N 342.461 1.975 0 40 EDAB Cc1nc(CNC(=O)NCc2ccc(N3CCOCC3)nc2)cs1 45325898 RZSMNCPLDQKBTD-UHFFFAOYSA-N 347.444 1.683 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(Cl)cc3)cnc21 11326558 IDMJZTWUMXVMLE-UHFFFAOYSA-N 331.763 1.812 0 40 EDAB Cc1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1-n1cccc1 11492130 FMEIHYINVBBYDZ-UHFFFAOYSA-N 327.340 1.494 0 40 EDAB CCCNC(=O)CN1CCC(C(=O)N2CCc3ccccc3C2)CC1 45771161 ILZYECBRESKWIE-UHFFFAOYSA-N 343.471 1.810 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCCN1CCOCC1 27977067 OMSLVJYSVCYGHS-UHFFFAOYSA-N 342.443 1.941 0 40 EDAB O=S(=O)(NCc1cccc(Cn2cncn2)c1)c1ccccc1 48374456 WHXXSTMPVCXKQQ-UHFFFAOYSA-N 328.397 1.805 0 40 EDAB COc1cc(CNC(=O)NCc2ccc(S(C)(=O)=O)cc2)ccn1 48311462 UEFXVECASJHXDV-UHFFFAOYSA-N 349.412 1.493 0 40 EDAB O=c1oc2ccccc2n1CCCN1CCO[C@H](Cn2cccn2)C1 69386734 OCFDGQAYHLLPRT-HNNXBMFYSA-N 342.399 1.582 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 13116989 SQBWJGUREACOQN-PHIMTYICSA-N 326.418 1.461 0 40 EDAB CN1CCC[C@]2(CN(Cc3ccncc3)C[C@H]2c2ccnn2C)C1=O 306124236 BKIBUCWQYZHIGO-QFBILLFUSA-N 339.443 1.653 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc2c1OCCO2 69484755 LMYCYSXWGPWWDE-LLVKDONJSA-N 336.388 1.987 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)c3nc4nc(C)cc(C)n4n3)C2)c1 69442342 GPQMGROIFPGYHU-AWEZNQCLSA-N 339.403 1.723 0 40 EDAB CCOC(=O)N(C)CC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 69485023 BUVJKRFPOJABNL-CQSZACIVSA-N 337.420 1.929 0 40 EDAB Cn1c(N)c(-c2csc(-c3ccc(O)cc3)n2)c(=O)n(C)c1=O 4218660 LMJZYRMIYHRZAW-UHFFFAOYSA-N 330.369 1.162 0 40 EDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)O)c12 4205061 GENJQCQDMUDBOT-JTQLQIEISA-N 335.385 1.675 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O)c1ccco1 69568933 LXNUKXMSYSQYOC-MGPLVRAMSA-N 347.396 1.986 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@H](C)n2cncn2)C1 69518715 AFYPZOVHVBRDTJ-AAEUAGOBSA-N 349.822 1.896 0 40 EDAB 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C[C@@H](CNC(=O)COc1ccc(F)cc1F)N1CCN(C)CC1 71867413 LLMKZPPZLIOUIX-LBPRGKRZSA-N 327.375 1.096 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCN4CCCC[C@H]4C3)cnc12 71839911 ZPCIXGOUFRWOEO-HNNXBMFYSA-N 340.427 1.402 0 40 EDAB O=C(c1ccc(OCc2ccccc2)nc1)N1CCN(CCO)CC1 75604863 BGCCBJLTHRLXIW-UHFFFAOYSA-N 341.411 1.411 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)C1 71824447 KDHDHMLJNFLBRL-STQMWFEESA-N 334.395 1.169 0 40 EDAB CCc1ccc(S(=O)(=O)NC[C@H](C)CN2CCN(C)CC2)s1 71817351 PVMQKYRLDZRMIS-ZDUSSCGKSA-N 345.534 1.472 0 40 EDAB COc1ccc(Br)cc1CC(=O)N[C@@H](C(N)=O)C(C)C 72296656 PBJIYVAOEHKRRB-CYBMUJFWSA-N 343.221 1.626 0 40 EDAB CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NCC2CC2)cn1 71921422 ZVOXEXKXZIVYET-UHFFFAOYSA-N 334.401 1.807 0 40 EDAB Cc1csc([C@H]2CCCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)n1 72298952 RHVZWAQKDAPDAT-WDEREUQCSA-N 336.417 1.146 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccn3c2)cc1 72283939 QCMNVUXWIQCSFN-UHFFFAOYSA-N 343.408 1.559 0 40 EDAB CCOC(=O)N1CCN(C(=O)N[C@H](C)c2csc(C)n2)CC1 72271620 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336.388 1.939 0 40 EDAB C[C@@H]1OCC[C@@H]1NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 95449686 RGVQJZFEVPDUFX-FZMZJTMJSA-N 333.363 1.598 0 40 EDAB COCC[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)C(N)=O 95463328 GLSPYTMKCDRVNW-SNVBAGLBSA-N 339.442 1.421 0 40 EDAB O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1ccncc1Cl 95431034 VHTJFQVHGXFELI-OAHLLOKOSA-N 345.830 1.884 0 40 EDAB CCc1cc(CNC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)on1 95428266 HCAUUZQRTQFOPA-SWLSCSKDSA-N 347.419 1.626 0 40 EDAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc2c(c1)OCO2 85413513 ADSATSKZWVCTAR-ZFWWWQNUSA-N 330.292 1.743 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)N(CCO)c1ccccc1 95980520 BEZORNQLNWNVHU-UHFFFAOYSA-N 337.445 1.733 0 40 EDAB CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)[C@]1(C)CC1(Cl)Cl 95943968 AAIXZVUTGAXBNS-RYUDHWBXSA-N 326.220 1.779 0 40 EDAB CC(C)CNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 20488756 QQOVDRGFNYTLFV-UHFFFAOYSA-N 331.413 1.211 0 40 EDAB CO[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 95980277 OXJLTLGXCROPSE-UGFHNGPFSA-N 326.824 1.863 0 40 EDAB Cc1sc(NC(=O)C2CC2)c(C(=O)N[C@H]2CC(=O)N(C)C2)c1C 95959466 KTZSSNOXNHALBJ-NSHDSACASA-N 335.429 1.674 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)C1 95956337 AWCKWILZLVSALN-IRXDYDNUSA-N 343.427 1.162 0 40 EDAB C/C(=C\C(=O)N1CCCN(CC(=O)N(C)C)CC1)c1ccccc1 79646012 KAJYTHGTGBQKFN-JQIJEIRASA-N 329.444 1.712 0 40 EDAB CC(C)(CNC1CCN(c2nccs2)CC1)NS(C)(=O)=O 89582184 MGJIJBUIHNFZKR-UHFFFAOYSA-N 332.495 1.029 0 40 EDAB NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 75144438 ZLPJWEIWYWJWQP-LLVKDONJSA-N 342.417 1.934 0 40 EDAB C[C@H](CC(=O)NC[C@H](c1cnn(C)c1)N(C)C)NC(=O)C1CCCC1 75140647 QCSVQLOHCUBNCU-CZUORRHYSA-N 349.479 1.224 0 40 EDAB O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@H]1CO 89769955 ZOBIYSZMQCWMDG-QMMMGPOBSA-N 338.198 1.734 0 40 EDAB O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1scnc1C1CC1 89813135 RRQYCBCPFSKCAK-MRVPVSSYSA-N 333.335 1.914 0 40 EDAB CN(C)[C@H]1CCN(C(=O)c2nc([C@H]3CCCN3C)n3ccccc23)C1 306131418 KDWOQIDFHNRTGG-GOEBONIOSA-N 341.459 1.877 0 40 EDAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)C1=NO[C@]2(CCCNC2)C1 1548547177 LSYIWNJAASUYSC-RPVQJOFSSA-N 331.416 1.513 0 40 EDAB CCc1oc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCCN3)C2)cc1C 122161784 CUQLOLXRFIPLMG-GJZGRUSLSA-N 347.459 1.871 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)c1ccccc1)Oc1ccc(F)cc1 547899962 KFHRNXPLHSETLO-AWEZNQCLSA-N 339.344 1.636 0 40 EDAB Cc1cn2c(CN(C)C(=O)c3ccc(=O)n(C)n3)c(C)nc2s1 120646367 NXRHEQPWWKZSLP-UHFFFAOYSA-N 331.401 1.379 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)c2ccc(Cl)o2)c1 31747175 NCYKSJNLPBQPNY-UHFFFAOYSA-N 328.777 1.771 0 40 EDAB NC1=NC(=O)[C@@](Cc2ccco2)(c2ccc(Br)cc2)N1 71974984 XJWFKXLQYBEGND-CQSZACIVSA-N 334.173 1.925 0 40 EDAB CS(=O)(=O)N1CC[C@H](Nc2ncc(F)c(-c3ccsc3)n2)C1 522003611 IGAIKSRCXCRKMV-JTQLQIEISA-N 342.421 1.790 0 40 EDAB CC(C)OC(=O)c1nnn(C[C@@H](O)c2ccc(Cl)cc2)c1CO 71328524 KWXLBZWCSLWDEI-CYBMUJFWSA-N 339.779 1.723 0 40 EDAB Cc1nn(CC(=O)Nc2cccc3nsnc23)c(=O)n2cccc12 72346577 RPWJYFRYFKAUPF-UHFFFAOYSA-N 340.368 1.448 0 40 EDAB COC(=O)[C@H](C)N(C(=O)CCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 32641332 YTVNYCNOUJOXNW-GXTWGEPZSA-N 345.461 1.534 0 40 EDAB Cc1cc(Nc2nncs2)nc([C@@H]2CCCN(C(=O)CN)C2)n1 72360887 NEHQJTZZBVHVTA-SNVBAGLBSA-N 333.421 1.045 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@@]2(N)CN)cc1 218630626 QPHVQXMJYZQXFE-IKGGRYGDSA-N 334.416 1.730 0 40 EDAB COc1cc([C@H]2[C@H](C(C)=O)[C@@](C)(O)CC(=O)[C@H]2C(C)=O)ccc1O 36030335 NKAAALBAEMIJHC-BDXSIMOUSA-N 334.368 1.619 0 40 EDAB C[C@H]1CCCC[C@@H]1OCC(=O)NCCCCN1CCN(C)CC1 79043697 ARVNKEOSQYVCQQ-IRXDYDNUSA-N 325.497 1.726 0 40 EDAB CC(=O)NCCNC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 42299134 FPTVPWUWJPMSAO-UHFFFAOYSA-N 348.834 1.937 0 40 EDAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)NC1CCOCC1 62367294 UVAGDRQUPJTDHF-UHFFFAOYSA-N 339.417 1.527 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)CC3(F)F)CC1 675008323 RGEOJMCRJBPSED-UHFFFAOYSA-N 336.404 1.306 0 40 EDAB COc1ccsc1S(=O)(=O)N1CCOc2ncccc2C1 521393942 TYQYAACVCSAYOC-UHFFFAOYSA-N 326.399 1.735 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 219781771 SFPIUGXABHDBCI-CHWSQXEVSA-N 349.412 1.261 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O 218493431 IFRYPRVOFPOTPI-IJEWVQPXSA-N 325.430 1.268 0 40 EDAB O=C(c1cc([C@H]2CCCCN2C(=O)C2CCC2)n[nH]1)N1CCOCC1 72380479 QAFIBBCMOJPXOF-MRXNPFEDSA-N 346.431 1.736 0 40 EDAB CCc1nc2cc(C(=O)NCCSc3ncn[nH]3)ccc2n1C 225894873 UFVNMNBGDRZOCW-UHFFFAOYSA-N 330.417 1.776 0 40 EDAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cccn(C)c1=O 225709933 WNIINOCYBYYYCN-LJQANCHMSA-N 342.395 1.348 0 40 EDAB Cc1cccc(C)c1-n1nnnc1C[S@@](=O)CC(=O)NCC1CC1 83954611 XSSWPKHHWFLLMB-DEOSSOPVSA-N 347.444 1.054 0 40 EDAB COc1ccc([C@@H](NC(=O)NC[C@@H]2CCN(C)C(=O)C2)C2CC2)cn1 528025974 KJKFXXLYQQUFEW-PXAZEXFGSA-N 346.431 1.709 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)Cc1cccc(F)c1)C1CCOCC1 571039778 KDKSFVLTPRGYIO-AWEZNQCLSA-N 345.392 1.373 0 40 EDAB COc1cccc(-c2c3c(=O)n(CCO)ccc3nc3ncnn23)c1 40398245 SOPDMFCSDJPBIL-UHFFFAOYSA-N 337.339 1.107 0 40 EDAB CN(C)CCNC(=O)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 223394446 YZVIXVWMDARYHO-MRXNPFEDSA-N 328.416 1.337 0 40 EDAB COCc1ccc(C(=O)N2CCN(c3cc(Cl)ncn3)CC2)o1 81764406 JORWDZPDPQQNRE-UHFFFAOYSA-N 336.779 1.832 0 40 EDAB COCCc1noc(CN(C)C(=O)[C@@H]2NCCc3ccccc32)n1 195543599 SAAJCBSHVDPAPY-MRXNPFEDSA-N 330.388 1.104 0 40 EDAB O=C(c1c[nH]cn1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 96239739 DDORKQOMEVKZKT-HNNXBMFYSA-N 348.357 1.578 0 40 EDAB Cn1ncc2c1CN(C(=O)c1ccnnc1)C[C@@H]2COCC1CC1 96044651 PKIPSFPNGHUHHK-CQSZACIVSA-N 327.388 1.376 0 40 EDAB Cn1ccnc1N1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)CC1 96436930 OGOBCADDEFMWLM-UHFFFAOYSA-N 341.390 1.932 0 40 EDAB CC(C)OCCCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95473535 XJKYBYSXWYEGAD-ZDUSSCGKSA-N 344.415 1.847 0 40 EDAB COc1ccccc1N1CCN(CCNC(=O)c2cnoc2C)CC1 96025709 ZBOOOQGBDPHDAQ-UHFFFAOYSA-N 344.415 1.544 0 40 EDAB Cc1ccc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCCO3)C2)o1 97953648 KGKKXXNHQFIHHA-YESZJQIVSA-N 334.416 1.979 0 40 EDAB CCC1=N[C@@]2(CC[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]32)C(=O)N1CC 96261600 QATTYCUOWBJMPL-RVKKMQEKSA-N 329.448 1.671 0 40 EDAB Cc1oncc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1ncccc1F 96041901 ZLLJSJFYTBTLHX-RRFJBIMHSA-N 347.346 1.968 0 40 EDAB CCS(=O)(=O)C(Br)(Br)[C@H](O)C1CC1 96520931 USZKMUFNPCGPFL-ZCFIWIBFSA-N 336.045 1.636 0 40 EDAB CCOc1ccc(CCC(=O)N2CC[C@H]3C(=O)NCCO[C@H]3C2)cc1 96107085 YMTHWEPIELXCMQ-SJORKVTESA-N 346.427 1.381 0 40 EDAB Cc1ccoc1C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 96188565 XWODZPIZLOJEPV-CQSZACIVSA-N 325.372 1.953 0 40 EDAB Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCCc1cscn1 96411232 HVFNFGGJVNHOCI-OAHLLOKOSA-N 342.428 1.581 0 40 EDAB c1cnc2c(c1)CN(C1CCOCC1)CCN2CCn1cccn1 96198992 GXNNZNISWRLRME-UHFFFAOYSA-N 327.432 1.779 0 40 EDAB COCCN(CC(N)=O)C(=O)c1ccc(C)cc1Br 97229709 VMQNINIKKXZTGG-UHFFFAOYSA-N 329.194 1.331 0 40 EDAB Cn1ncnc1CNS(=O)(=O)c1c(F)cccc1Br 96470334 KEQVXYYMNAFOMZ-UHFFFAOYSA-N 349.185 1.195 0 40 EDAB Cn1ccnc1CN1CCOC[C@]2(CCN(Cc3cccnc3)C2)C1 96070367 BGQLQLLNLGOBEU-IBGZPJMESA-N 341.459 1.540 0 40 EDAB Cc1cc(C(=O)N2Cc3nccn3C[C@H](Cn3cccn3)C2)no1 96067060 QADZZPOTPMNDKJ-ZDUSSCGKSA-N 326.360 1.348 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@]2(CCN(Cc3ccco3)C2)C1 96202164 GDXVCHADKNXNHP-INIZCTEOSA-N 340.445 1.296 0 40 EDAB C[C@H](C(=O)NCCc1nnc2n1CCC2)N1CCc2ccccc2C1 96412351 WNNSRXZYURYSGC-CQSZACIVSA-N 339.443 1.330 0 40 EDAB CC[C@@H]1CN(C)c2ccccc2CN1C[C@H](O)CN1CCOCC1 96461834 CHHZILRVZOYUPF-QZTJIDSGSA-N 333.476 1.410 0 40 EDAB Cc1ccc(CN2C[C@H]3[C@H](NS(C)(=O)=O)COC[C@H]3C2)s1 248101052 NVARQQDMHSMAOX-MRVWCRGKSA-N 330.475 1.053 0 40 EDAB O=C(Cc1ccccc1)N1CC2(CC[C@@H](CN3CCOCC3)CO2)C1 247857428 LCXLHUVNHLGEMS-SFHVURJKSA-N 344.455 1.569 0 40 EDAB Cn1cncc1[C@@H]1C[C@@H](NC(=O)[C@H]2COc3ccccc32)CCO1 583621121 WFNQBTQQSABRFX-JDFRZJQESA-N 327.384 1.933 0 40 EDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2cscn2)n1 257220991 DNCSCNVBVKJIAD-CQSZACIVSA-N 331.401 1.547 0 40 EDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)Cn1ccc(C(F)(F)F)n1 257260053 LBDRXYDKZMQJQD-SNVBAGLBSA-N 343.309 1.534 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(CC(C)C)nn2C)n1 257248686 JETQZIUXGHLLKD-HNNXBMFYSA-N 331.420 1.864 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)c(=O)n1C 257270852 MVWYCMRKGQKDHH-HZPDHXFCSA-N 346.358 1.097 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)c1cccn1C 257300925 RWGDCKGCNAJDJH-SFHVURJKSA-N 328.416 1.524 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)c3cnn4cccnc34)CCO2)n1 257273002 NEWLFJOJJIEZEF-CQSZACIVSA-N 338.371 1.350 0 40 EDAB COc1ncc(CN2CC3(CO[C@@H](Cc4cncnc4)C3)C2)cn1 257237856 HIMXEDDBGQQUBZ-HNNXBMFYSA-N 327.388 1.109 0 40 EDAB COCCC(=O)N1CC[C@H](c2c(C(N)=O)sc3nccnc23)C1 257341524 ZKSCQFAGOKFAEH-VIFPVBQESA-N 334.401 1.143 0 40 EDAB COCC(=O)N1CCCC[C@@H]1c1ccnc2c(C(=O)N(C)C)cnn12 257235213 GWXHGMMJOOQAOL-CYBMUJFWSA-N 345.403 1.131 0 40 EDAB COCC(=O)N1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1 585113957 OLHGQEPYGRUUOD-UHFFFAOYSA-N 337.420 1.913 0 40 EDAB c1ccc2c(c1)oc1c(NCC34COCCN3CCOC4)ncnc12 585132614 FXNROJFCCGRLAC-UHFFFAOYSA-N 340.383 1.889 0 40 EDAB CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)CCc2ccncc2)C1 585131076 KQRLQKVVNKLSBT-AWEZNQCLSA-N 342.399 1.930 0 40 EDAB COC[C@H](C)n1cc(C(=O)NCc2cc3n(n2)CCCO3)c(C)n1 1615056604 URVBXIWOXITJIF-NSHDSACASA-N 333.392 1.308 0 40 EDAB Cc1n[nH]c(C)c1C(=O)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 390832177 XUQSCPWVEBPSSH-SECBINFHSA-N 342.325 1.673 0 40 EDAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CC(F)(F)C2)C1 575406885 XADXMQWUJJTUQC-CYBMUJFWSA-N 340.374 1.726 0 40 EDAB COC[C@]1(CC(=O)NCc2ccc(CO)cc2)CCCN1C(C)=O 585280540 KCAWRXWAOSAWCK-GOSISDBHSA-N 334.416 1.213 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)Nc2cnc(-c3ccccc3)nc2)C1 44891380 QJPHFTMTXNFYST-ZDUSSCGKSA-N 325.372 1.873 0 40 EDAB CS(=O)(=O)c1ccc(NC2CCOCC2)c(S(C)(=O)=O)c1 69433537 GMTLZLXWPFGVNC-UHFFFAOYSA-N 333.431 1.085 0 40 EDAB Cc1cnn(CCNCC(=O)Nc2ccnn2Cc2ccccc2)c1 69874963 NOAVCMSHVDZCIO-UHFFFAOYSA-N 338.415 1.665 0 40 EDAB CN(C(=O)COC(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 5077414 LEIYNANRNMUERR-LBPRGKRZSA-N 345.804 1.142 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@H](c2ccc(F)c(F)c2)N1 12113431 NLDPFUAVMTZLOR-BMIGLBTASA-N 349.337 1.594 0 40 EDAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)cc2n1 12276502 ITZWHXFURPVZKK-ZIAGYGMSSA-N 330.388 1.840 0 40 EDAB COc1ccc(-c2ocnc2C(=O)N2CCC(C(N)=O)CC2)cc1 12328870 SSVQSFYOAFCAIG-UHFFFAOYSA-N 329.356 1.688 0 40 EDAB Cn1cc(Cl)c(C(=O)N2CCC(O)(c3cccnc3F)CC2)n1 13265457 ORZXQZDTPVJCQP-UHFFFAOYSA-N 338.770 1.731 0 40 EDAB COc1cc2nc(NN)n(-c3ccccc3OC)c(=O)c2cc1OC 15424576 SOWYRSHIRKYWQA-UHFFFAOYSA-N 342.355 1.697 0 40 EDAB NS(=O)(=O)c1ccc(CCC(=O)NCCOc2ccccc2)cc1 17850103 WFUVXJVSPDBXLT-UHFFFAOYSA-N 348.424 1.462 0 40 EDAB COc1ccc([C@@H]2CC(=O)C[C@H](Nc3nonc3N)C2)c(OC)c1 19974030 LWPSRWXPBFGCOV-VHSXEESVSA-N 332.360 1.986 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NC[C@H]1CCCO1)=N[C@H]2c1ccccc1 101983181 HSVUNXDUXMTAFD-GDBMZVCRSA-N 339.399 1.649 0 40 EDAB COCCNC(=O)N1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 225734030 OIHLIZINYCJWNF-UHFFFAOYSA-N 347.341 1.282 0 40 EDAB CON(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 9482173 UTQMQMKQTBDKQT-UHFFFAOYSA-N 326.418 1.741 0 40 EDAB O=C([C@H]1CN(c2cccc(C(F)(F)F)n2)CCO1)N1CCOCC1 1889096371 SZPZUFORIBHZLK-LLVKDONJSA-N 345.321 1.164 0 40 EDAB Cc1cnc(OC[C@@H]2CCCN(C(=O)c3cc(C)n(C)n3)C2)nc1 1775995655 CWYAECSQKWLOAH-CQSZACIVSA-N 329.404 1.758 0 40 EDAB O=C([C@H]1CSCN1)N1CCc2c(Br)cccc2C1 157271851 OHWCWWLSTCCWHM-GFCCVEGCSA-N 327.247 1.996 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)N1CCC(N2C(=O)COC2=O)CC1 245170807 XHDLXNFWJDZGPS-LBPRGKRZSA-N 332.356 1.424 0 40 EDAB COC(=O)CCCNC(=O)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 253471814 FUZLNFZEFKAMOR-LLVKDONJSA-N 342.779 1.586 0 40 EDAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)NCc1cccnc1 425351 CLRUKWBKSKBWHS-UHFFFAOYSA-N 326.381 1.770 0 40 EDAB COc1cccc2cc(C(N)=O)/c(=N/c3ccccc3C(N)=O)oc12 5127860 VNPIGPUCECDBQK-UZYVYHOESA-N 337.335 1.872 0 40 EDAB Cn1c(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)nc2ccccc21 2086889243 VRCUJUUACGWTOS-GFCCVEGCSA-N 334.445 1.624 0 40 EDAB c1cc2nc(OC3CCN(c4ccc5nncn5n4)CC3)ccn2n1 2298230600 GSDADTJMXGAWAY-UHFFFAOYSA-N 336.359 1.215 0 40 EDAB O=C(C[C@@H](C(=O)O)N1CCNCC1)Nc1cc(Cl)ccc1Cl 22592773 CFATZDUUAUFCJW-LBPRGKRZSA-N 346.214 1.680 0 40 EDAB O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccc(Cl)cc1Cl 37450055 WMCQRHDBSKYLHY-SCZZXKLOSA-N 334.155 1.419 0 40 EDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)Nc3ccccc3)C2)n(C)n1 2332241666 UIEZVIMFPGLGKM-NWANDNLSSA-N 329.404 1.942 0 40 EDAB Cc1cc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)no1 31159242 LQCMPYAAQYBXED-GUYCJALGSA-N 346.387 1.367 0 40 EDAB CSc1ncccc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 31718921 DBNRJLGEAOVHDJ-UHFFFAOYSA-N 343.412 1.387 0 40 EDAB O=C(c1cc(-n2cnnn2)ccc1Cl)N1CCC2(CC1)OCCO2 20729290 NCESVPMCMYLPQU-UHFFFAOYSA-N 349.778 1.295 0 40 EDAB O=C([C@@H]1CSCN1C(=O)NC1CCCCC1)N1CCOCC1 40556213 TYHWRBDBKYHMSC-ZDUSSCGKSA-N 327.450 1.262 0 40 EDAB CCc1noc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 69707452 BKKLKLQYPCQAFZ-LBPRGKRZSA-N 332.408 1.647 0 40 EDAB Nc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(CCC(=O)O)C2=O 1725296 DKAKXTMOKIYELP-UHFFFAOYSA-N 332.747 1.810 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1ccc(F)cc1 2710081 NESJBIXZSJLMSQ-LBPRGKRZSA-N 330.315 1.690 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2sccc2C)NC(=O)N[C@@H]1C 6052151 BSSJXNZGZHTFGS-SECBINFHSA-N 338.385 1.732 0 40 EDAB COc1ccc(CC(=O)OCC(=O)NC[C@H]2CCCO2)cc1OC 6424450 STRJSBWVHJVWGM-CYBMUJFWSA-N 337.372 1.085 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2cccs2)NC(=O)N[C@@]1(O)C(F)(F)F 6576729 PGEUKBIMRDIPOG-FYBVGQRMSA-N 338.307 1.532 0 40 EDAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCc1ccco1 102485721 AZKYBCDEQQRTSD-LGBHXNNWSA-N 333.384 1.770 0 40 EDAB CC1(C)CN(S(=O)(=O)c2ccc3c(c2)CCC3)CC[S@]1=O 89919673 JJAWGJBYQCHRIC-FQEVSTJZSA-N 327.471 1.707 0 40 EDAB O=C1NCCCN1CC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 76280046 DHASFEKNZVNTFM-CYBMUJFWSA-N 346.435 1.083 0 40 EDAB Cn1nccc1C1(O)C[C@H]2CC[C@H](C1)N2C(=O)c1cc(C2CC2)on1 100210070 LVJDIWYYAOPFCU-CHWSQXEVSA-N 342.399 1.940 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)NCc1ccc(S(C)(=O)=O)cc1 46922075 SLYXWTFSKDAFGV-CQSZACIVSA-N 340.445 1.658 0 40 EDAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 798676 ACRKLLSZCSRWND-UHFFFAOYSA-N 340.445 1.718 0 40 EDAB CC(C)Cn1[nH]cc/c1=N\C(=O)CN1CCO[C@@H](c2nccs2)C1 104185543 INSKOAPUPKIRDN-DVDIPCOMSA-N 349.460 1.430 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccnc1-n1cncn1 22978544 LWOMEPUIOKVOFG-JSGCOSHPSA-N 343.387 1.514 0 40 EDAB C[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)CN1CCCC1 47524745 NIYVFXGEWGSJJY-HNNXBMFYSA-N 347.463 1.772 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102948523 QCMJUUAKWLBGEL-UZWSLXQKSA-N 335.429 1.959 0 40 EDAB O=c1oc2ccccc2n1CN1CCC(CN2CCOCC2)CC1 54518670 QTRRUEIPMVXSCI-UHFFFAOYSA-N 331.416 1.596 0 40 EDAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1C 23748567 XONBERFTKVBJOZ-LBPRGKRZSA-N 329.400 1.563 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1 12509811 KDRYTWFSYPHIHG-BETUJISGSA-N 329.400 1.584 0 40 EDAB CO[C@@H]1CCCN(C(=O)NCc2cccc(NC(=O)CN(C)C)c2)C1 69561768 IBKQPBYUWVBESI-MRXNPFEDSA-N 348.447 1.507 0 40 EDAB Cn1cc(C(=O)NC2CC3(CCN(Cc4ccccn4)C3)C2)cn1 108526567 JJZJIYAADXRRNI-UHFFFAOYSA-N 325.416 1.600 0 40 EDAB O=C(NCCOc1ccc(C(F)(F)F)cc1)N[C@H]1CCCNC1=O 69562634 GGCSUPDBLFNPAW-LBPRGKRZSA-N 345.321 1.662 0 40 EDAB NC(=O)[C@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1 106906292 YOJSKRWFIVCOKW-GDBMZVCRSA-N 329.379 1.401 0 40 EDAB CC[C@H]1CN(CC(=O)NCCc2ccsc2)CCN1C[C@H](C)O 106906882 MFESKHGLHODKCU-HOCLYGCPSA-N 339.505 1.184 0 40 EDAB COc1cccc(CNC(=O)CNc2cccc(-n3cnnn3)c2)c1 25616640 HAYUKSXCKVMNQR-UHFFFAOYSA-N 338.371 1.399 0 40 EDAB O=C(CN1CCCc2cc(F)c(F)cc21)N[C@H]1CCS(=O)(=O)C1 26342898 UNBQRHNOSUNJLA-NSHDSACASA-N 344.383 1.021 0 40 EDAB CCOC(=O)[C@@H]1CSCCN1Cc1cc(=O)n2ccccc2n1 26337167 QMEINAKRQTYKDZ-ZDUSSCGKSA-N 333.413 1.175 0 40 EDAB CCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O 57477461 QSUNVNRPDRZCNU-UHFFFAOYSA-N 329.400 1.632 0 40 EDAB COC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)cc1 69565572 CYWHVRLXFJVAAM-SFHVURJKSA-N 339.351 1.835 0 40 EDAB O=C(CNc1ccccc1I)N1CCOCC1 57758599 MJCGMDDDTFUFRJ-UHFFFAOYSA-N 346.168 1.562 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc2c(c1)S(=O)(=O)C=C2 69664582 LOLZJEMPXAYAIJ-UHFFFAOYSA-N 338.385 1.908 0 40 EDAB CN(C(=O)CN1CCC[C@@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 21417222 VQGOSBZPAQZKII-HZPDHXFCSA-N 336.457 1.469 0 40 EDAB CC1CCN(Cc2ccc(CNC(=O)Cn3cnnn3)cc2)CC1 44704429 JDCOJNLQJKEJOO-UHFFFAOYSA-N 328.420 1.221 0 40 EDAB CCN1C(=O)C[C@@H](N(C)CC(=O)Nc2c(C)cc(C)cc2C)C1=O 10169059 HHHIIJMQHLQURU-CQSZACIVSA-N 331.416 1.630 0 40 EDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)CN1CCc2ccccc2C1 58172446 UAVZMFQDGBJGRA-OKZBNKHCSA-N 342.439 1.581 0 40 EDAB COc1ccccc1-c1cc(NC(=O)C2=NN(C)C(=O)CC2)[nH]n1 58218081 ZMTUWVLEENBTSL-UHFFFAOYSA-N 327.344 1.632 0 40 EDAB CN1CCCN(S(=O)(=O)c2ccccc2Br)CC1 3351047 YECLKOQTKQITMA-UHFFFAOYSA-N 333.251 1.775 0 40 EDAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN([C@@H]2CCOC2=O)CC1 44936470 IHPZEDUDUVMZNA-DZGCQCFKSA-N 342.399 1.731 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1F 58323306 YUNMWCYLNXRNPP-LLVKDONJSA-N 346.449 1.804 0 40 EDAB O=C(NCCCCN1CCOCC1)c1cncc(Br)c1 48284909 JHNIVPHYKFEDBJ-UHFFFAOYSA-N 342.237 1.686 0 40 EDAB COc1ccc(S(=O)(=O)N2CCO[C@H](C)C2)cc1NC(C)=O 10681952 PAFRBPZCWLUCBW-SNVBAGLBSA-N 328.390 1.063 0 40 EDAB O=C(NCc1ccc(Cn2cccn2)cc1)N[C@@H]1CCCCNC1=O 45261620 DHMQAGDOFPUXBX-MRXNPFEDSA-N 341.415 1.399 0 40 EDAB CC(C)CCNC(=O)NC(=O)CN1CCN(c2ccccc2)CC1 36386347 NXJUOAXKXCFIJV-UHFFFAOYSA-N 332.448 1.681 0 40 EDAB O=C(NCCCn1nc2n(c1=O)CCCC2)NCc1cccc(F)c1 45592330 QVTXZHMYGQXGBC-UHFFFAOYSA-N 347.394 1.410 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)on1 45701445 FZBIJNOUSWETHW-UHFFFAOYSA-N 329.356 1.670 0 40 EDAB O=C(Cc1cccnc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 69815932 USFDLYOQIMTBHS-UHFFFAOYSA-N 337.423 1.903 0 40 EDAB CN(C)CCSCC(=O)N[C@H](c1ccccc1)c1nccn1C 69808418 OSGWFIGXZPWAMA-MRXNPFEDSA-N 332.473 1.921 0 40 EDAB C[C@@H]1CCCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 13038907 PCQLWALKNODABJ-CQSZACIVSA-N 338.477 1.397 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)O[C@@H](C)C(=O)NC1CCCCC1 13097417 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CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1ccc2c(c1)CCO2 71185449 KGOSZFRTWHRDLK-WFASDCNBSA-N 348.468 1.980 0 40 EDAB Cc1cc(=O)n2nc(CSc3nnc(C4CC4)n3C)sc2n1 7172604 IDOMPDCGLPPFHF-UHFFFAOYSA-N 334.430 1.758 0 40 EDAB NC(=O)[C@H]1CN(S(=O)(=O)/C=C/c2ccccc2)c2ccccc2O1 7307233 BXVVAAUKKWMKEB-SIFUEBAJSA-N 344.392 1.740 0 40 EDAB O=C(C[C@H]1C(=O)NCCN1C(=O)C1CC1)Nc1cccc(Cl)c1 9184029 NTCLWRLISRGWTF-ZDUSSCGKSA-N 335.791 1.406 0 40 EDAB CC(C)C(=O)N1CCCN(C(=O)[C@H]2COc3ccccc3C2)CC1 68189128 HTAMLXWBYUUXNT-MRXNPFEDSA-N 330.428 1.955 0 40 EDAB CCNC(=O)[C@@H]1CCCN(C(=O)CCc2ccc(C(=O)OC)cc2)C1 68323195 FWSVZYNZXMAJKA-MRXNPFEDSA-N 346.427 1.781 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(C(=O)NC)c1C 68543830 XXUZFJPAIWWFJN-CMPLNLGQSA-N 334.420 1.779 0 40 EDAB CCc1c(C(=O)NCc2nncn2C(C)C)cnn1-c1ccccn1 70037661 KZEVOZDSNWTYAU-UHFFFAOYSA-N 339.403 1.932 0 40 EDAB CN(C)C[C@H]1CCCCN1C(=O)CCc1nc2ccccc2c(=O)[nH]1 69347602 HAYKHEXOGMNWHX-CQSZACIVSA-N 342.443 1.798 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(CN3CCSCC3)cc2)CC1 69441871 OALYDHJRHYWYEQ-UHFFFAOYSA-N 347.484 1.540 0 40 EDAB CCN1CCC[C@H](NC(=O)Cc2c(C)nc3c(c2C)c(=O)[nH]n3C)C1 69421135 IEYAGJKFSHZSII-ZDUSSCGKSA-N 345.447 1.021 0 40 EDAB Cc1ccc(OCCCC(=O)NCCCN2CCN(C)CC2)cc1 22829978 VWTWWMADPIXRHK-UHFFFAOYSA-N 333.476 1.908 0 40 EDAB O=C(CCc1cccs1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 96432211 DQCIPEGNFQPDLY-LLVKDONJSA-N 339.442 1.876 0 40 EDAB Cc1cc(NC(=O)CN(C)C[C@@H]2CCCN2c2cccnn2)n(C)n1 71859998 LWDQWUNILOUZEJ-AWEZNQCLSA-N 343.435 1.058 0 40 EDAB C[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)CN1CCCC1=O 71833179 PJMHBSFGKRWOMZ-SECBINFHSA-N 342.325 1.814 0 40 EDAB COCCOc1nc(C(=O)N2CCNC(=O)CC2)cc2ccccc12 71839446 QSPJXIYSRWLMBH-UHFFFAOYSA-N 343.383 1.222 0 40 EDAB CN(c1ccc2nnnn2n1)[C@@H]1CCN(c2ccccc2Cl)C1=O 71894545 RFWARLQMDVCINA-GFCCVEGCSA-N 343.778 1.414 0 40 EDAB NC(=O)COc1ccc(CNCc2cccc3c2OCCO3)cc1 71837032 VLNUNLXPLYCOAF-UHFFFAOYSA-N 328.368 1.612 0 40 EDAB Cc1nc(CN2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)no1 71882375 WHRVVVOUVHFRSS-UHFFFAOYSA-N 340.383 1.498 0 40 EDAB C[C@H](O)CN1CCN(C(=O)Cc2csc(-c3cccnc3)n2)CC1 71871086 BZIUDQDVKFAVHM-ZDUSSCGKSA-N 346.456 1.273 0 40 EDAB CCc1nnc2n1C[C@@H](CNCc1ccc(-n3cncn3)cc1)CC2 71877344 XVFICUXBUTWFID-OAHLLOKOSA-N 337.431 1.773 0 40 EDAB COCCCNC(=O)C(=O)Nc1ccc2ccn(CCN(C)C)c2c1 71922289 VJUCDHQGRZHLEQ-UHFFFAOYSA-N 346.431 1.294 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)C2)no1 72231964 NAEVMLYPUQGHJN-UKRRQHHQSA-N 341.367 1.866 0 40 EDAB O=C(CCOc1cccc(Cl)c1Cl)N1CCN(CCO)CC1 78517837 BDVAFNDUZPIANC-UHFFFAOYSA-N 347.242 1.899 0 40 EDAB CC(=O)NCCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 78805764 QTHHJUYZCFZDSG-UHFFFAOYSA-N 329.404 1.756 0 40 EDAB CCN(CC)[C@@H](CNc1ccc2n[nH]c(=O)n2n1)Cc1ccccc1 95411916 MXEGFLKGRTUZBG-OAHLLOKOSA-N 340.431 1.783 0 40 EDAB CC(=O)NC[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2F)CCO1 95408966 FJKXLUOGUMJDMT-JTQLQIEISA-N 348.296 1.822 0 40 EDAB CCN1C(=O)N[C@@](C)([C@@H]2CCCN(CCc3ccncc3)C2)C1=O 95402633 XSBOCHPPNILASM-QAPCUYQASA-N 330.432 1.667 0 40 EDAB O=C(c1ccn2ccnc2c1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 95450423 IGPHWTWREISSGJ-ZBFHGGJFSA-N 338.411 1.950 0 40 EDAB CN1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)Cc2ccccc21 79060236 WNPMNOPCQFJIIF-AWEZNQCLSA-N 328.416 1.411 0 40 EDAB COC(=O)c1coc(C(=O)NC[C@H](CC(C)C)N2CCOCC2)c1 95940188 UWVVZIODFDGQBK-AWEZNQCLSA-N 338.404 1.543 0 40 EDAB CC(C)[C@@H](C)N(C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 95949100 WGUVTRGBOKJVHQ-GDBMZVCRSA-N 344.521 1.921 0 40 EDAB Cc1nc(C(=O)OCCNS(C)(=O)=O)c(-c2ccccc2)s1 95995252 IOGMATYHJZGBIL-UHFFFAOYSA-N 340.426 1.825 0 40 EDAB CN1CCN(C(=O)CSc2nc3cc(F)c(F)cc3[nH]2)CC1 89382571 GCLZXTHZXBGAKA-UHFFFAOYSA-N 326.372 1.707 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C 33651735 RALLKKNKLMMCNT-GFCCVEGCSA-N 343.401 1.004 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccn(C3CCCC3)n2)cc1 32611586 UCTCTEWAQNTNNP-UHFFFAOYSA-N 348.428 1.576 0 40 EDAB COc1nn(C)cc1C(=O)N1CCN(CC(=O)c2cccs2)CC1 38671205 FXHGUVGRVZQANJ-UHFFFAOYSA-N 348.428 1.131 0 40 EDAB COCC(=O)N1CCC[C@H](c2cc(Nc3ncccn3)nc(C)n2)C1 72360282 CMPVBRBXRDJNTL-ZDUSSCGKSA-N 342.403 1.671 0 40 EDAB Nn1c(SCC[C@@H]2CCNC2=O)nnc1-c1ccccc1Cl 521394562 YNSPYSXIUFJGBJ-VIFPVBQESA-N 337.836 1.931 0 40 EDAB COc1ccnc(N2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)n1 548662093 MYXNELIEIUXVQJ-OAHLLOKOSA-N 333.417 1.492 0 40 EDAB O=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccco2)CC1 188602777 RMCWVYHLQQPZQX-UHFFFAOYSA-N 334.397 1.355 0 40 EDAB CNc1cccc(C[C@@H]2COCCN(C(=O)c3cnn(C)c3)C2)n1 72388182 DNQNULSVIXXCGS-ZDUSSCGKSA-N 329.404 1.188 0 40 EDAB Cn1c([C@H]2CCCN2C(=O)CCn2cnnn2)nc2ccccc21 524735500 GHDROBRGHWCKTI-CQSZACIVSA-N 325.376 1.314 0 40 EDAB CC(C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832220 VULCKSCGYVSMCV-GFCCVEGCSA-N 332.809 1.392 0 40 EDAB CCOC(=O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1OC 35933850 PGXXISXJTXDUGA-VFADXPBXSA-N 332.400 1.462 0 40 EDAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)O)ccc1N1CCOCC1 217434954 WWOBMQJTRSMYLF-UHFFFAOYSA-N 342.417 1.298 0 40 EDAB CN1C(=O)CO[C@H](C(=O)Nc2cnn(C)c2)[C@H]1c1cccc(F)c1 72241670 KYJGWDGDUISQCI-CABCVRRESA-N 332.335 1.096 0 40 EDAB CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc4nncn4c3)cc21 75805606 CTSVBADCBGTMQR-UHFFFAOYSA-N 348.366 1.682 0 40 EDAB COc1ccc2[nH]cc(NC(=O)N3CC[C@H](O)[C@@H](C)C3)c(=O)c2n1 72347427 PRSKVOIDLMXGFV-CABZTGNLSA-N 332.360 1.166 0 40 EDAB COc1ccccc1Oc1cncc([C@H]2CCCN2C(=O)CN)n1 72384461 YHSPZSQNDRWWJF-CYBMUJFWSA-N 328.372 1.900 0 40 EDAB COc1ccc(CN2CCO[C@H](c3ccc(C(N)=O)cn3)C2)cc1 72388113 WCRREGDJESPBNJ-KRWDZBQOSA-N 327.384 1.763 0 40 EDAB CCN(CC)C(=O)CCNC(=O)N[C@@H]1CCN(c2ccccc2)C1 78604790 VRXCYVJUWIYEQN-OAHLLOKOSA-N 332.448 1.823 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H](C(=O)O)c2ccnn2C)sc1C 566115987 IBSYLTAPDAUEKR-NSHDSACASA-N 329.403 1.203 0 40 EDAB COc1cc(NC(=O)C[C@H]2Cn3nc(C)nc3NC2=O)cc(OC)c1 40386701 OZNGVVJSKVNDQQ-JTQLQIEISA-N 345.359 1.201 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H](Oc2cnccn2)C1 225473337 NFDULTJKALWNFM-CQSZACIVSA-N 341.367 1.818 0 40 EDAB O=C1CNc2ncnc(NCC3(N4CCOCC4)CCCCC3)c2N1 41124010 PBTMWOFIPOWMPL-UHFFFAOYSA-N 346.435 1.288 0 40 EDAB Cc1nnc(NC(=O)c2coc(NC(=O)c3cnccn3)n2)s1 75157981 KWIXSWQKVOUGQY-UHFFFAOYSA-N 331.317 1.129 0 40 EDAB CN1CCC[C@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 81277144 OBXHLEIMOWIGMH-KRWDZBQOSA-N 329.444 1.767 0 40 EDAB C/C=C/C[C@@H](CO)NS(=O)(=O)c1c(F)c(F)cc(F)c1F 193840016 FYTOAZHREDTCDI-AIYRYJHASA-N 327.299 1.848 0 40 EDAB O=S(=O)(C[C@@H]1CCCCO1)NCc1noc(-c2ccccc2)n1 193706417 STCTXJZCWSVEIZ-ZDUSSCGKSA-N 337.401 1.725 0 40 EDAB Cc1ccc(CN2CCc3[nH]nc(C(=O)N4CCOCC4)c3C2)o1 96187398 DGSRPHASLJTXEL-UHFFFAOYSA-N 330.388 1.342 0 40 EDAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(C(=O)c4ccsc4)CC[C@@H]23)n1 96208405 RJLFKPXNMWSXMH-MCIONIFRSA-N 332.429 1.894 0 40 EDAB Cc1nc(CN2CC[C@@]3(COCCN([C@@H]4CCOC4)C3)C2)cs1 96070373 DSQPXAREROMCBL-IAGOWNOFSA-N 337.489 1.765 0 40 EDAB CN(Cc1ccco1)[C@@H]1CN(Cc2nccn2C)[C@@H]2CCCO[C@H]12 96185970 WDNOGRYQDNLNLG-NUJGCVRESA-N 330.432 1.877 0 40 EDAB Cn1cc(CN2CCc3nnc(COc4ccccn4)n3CC2)cn1 96058875 AROMEDUXZSEZNS-UHFFFAOYSA-N 339.403 1.044 0 40 EDAB O=C(NC[C@@H]1CCCN(C(=O)CCc2ccccc2)C1)[C@H]1CCCN1 95435776 ZQSUFECGNMRBFQ-ZWKOTPCHSA-N 343.471 1.726 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)CN(Cc1nccs1)CCO2 96048995 UNJWQZKNWYBKRJ-UHFFFAOYSA-N 345.490 1.160 0 40 EDAB CCn1nnc2c1CCN(C(=O)c1ccc3c(c1)OCO3)[C@H]2COC 96198481 KSLLQTNJUBMJKE-ZDUSSCGKSA-N 344.371 1.413 0 40 EDAB Cn1cccc1C(=O)N1CCC2(CC1)C[C@@H](N1CCOCC1)CO2 96063068 AQNGSYZLLGKNKH-OAHLLOKOSA-N 333.432 1.121 0 40 EDAB COCCN1CCc2cc(C(=O)NC(C)C)c(N(C)C)nc2CC1 96260351 YJROAJUXIQTKIL-UHFFFAOYSA-N 334.464 1.333 0 40 EDAB CN1CCC[C@@H]2CN(C(=O)NCc3ccccc3OCCO)CC[C@H]21 247343222 XQKBOCNTAHCIMN-IAGOWNOFSA-N 347.459 1.683 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)Cc2ccccc2OC)CCO1 257334502 YGFGJJBDAIPCGB-HNNXBMFYSA-N 342.399 1.670 0 40 EDAB CNc1cc(C)nc([C@H]2CN(C(=O)CCc3ccnn3C)CCO2)c1 257226589 FLGWQABOMKRFFG-QGZVFWFLSA-N 343.431 1.698 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)ccn1 257309519 UBFPFLSFJUKJGM-AWEZNQCLSA-N 333.388 1.186 0 40 EDAB CNc1cc([C@@H]2CCCN2C(=O)c2cnn3cccnc23)nc(C)n1 257240098 HSBBVXZYTXPVFS-AWEZNQCLSA-N 337.387 1.847 0 40 EDAB CCc1cccnc1C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 584345060 OKJOJCSLXOKWJR-AWEZNQCLSA-N 336.399 2.013 0 40 EDAB CN(CC(=O)N1CCOC[C@H]1CCc1cnccn1)C1CCCC1 257291605 QHUQIXAJAQDTIL-QGZVFWFLSA-N 332.448 1.511 0 40 EDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2cnc(C)cn2)n1 257318407 VNUHSAODENBXRZ-INIZCTEOSA-N 340.387 1.188 0 40 EDAB CCc1nccn1CCC(=O)N1CCO[C@H](CCc2ccncn2)C1 257279558 OHFFNZRPNIKFGL-MRXNPFEDSA-N 343.431 1.486 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1nccn1C 257305468 SQEALPGPQBDLRG-MRXNPFEDSA-N 328.416 1.834 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)Cc2cccc(F)c2)CCO1 257247475 IZEQZEARWXTZFV-AWEZNQCLSA-N 330.363 1.800 0 40 EDAB COC(=O)[C@]1(C)CN(C(=O)N[C@H](C)c2nnc3n2CCCC3)C[C@H]1C 252478755 AUQPKJPLNSOHNW-PSTGCABASA-N 349.435 1.516 0 40 EDAB CCCCNC(=O)Cc1noc(-c2ccccc2-n2cnnn2)n1 585133453 ILZNQLAURCLRTL-UHFFFAOYSA-N 327.348 1.171 0 40 EDAB CCOC[C@H](NC(=O)Nc1[nH]nnc1C(=O)N1CCCC1)C(C)C 585119352 DISWIORCOVMUJV-NSHDSACASA-N 338.412 1.223 0 40 EDAB CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 252479876 BOINOZCISWDZBB-ZIAGYGMSSA-N 337.395 1.809 0 40 EDAB CS(=O)(=O)NCc1cn(-c2ccccc2Br)nn1 588683355 HBIHRGZGUHAILO-UHFFFAOYSA-N 331.195 1.079 0 40 EDAB CCOC(=O)[C@H]1[C@H]2CN(c3nnnn3Cc3occc3C)CC[C@H]21 1616031963 BYCSWKBDQHWRRC-MBNYWOFBSA-N 331.376 1.258 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 575406151 WVOBIAQZDQBBOT-CQSZACIVSA-N 342.486 1.896 0 40 EDAB Fc1cnc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)nc1 575615619 FSYBYQCDLDHFQD-UHFFFAOYSA-N 328.273 1.751 0 40 EDAB COCc1nnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@@H]2C 585098346 WNUXCPGNARKKRJ-SNVBAGLBSA-N 330.344 1.370 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)Cn2cccn2)CCO1 585276028 LGCJDZQZEPSUEQ-GOSISDBHSA-N 329.400 1.024 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccc(F)c(F)c1)C2 585103224 NPCJQCUCZJTKKP-ZDUSSCGKSA-N 345.411 1.990 0 40 EDAB C[C@@H]1c2nc(CC(=O)N3CCCC3)cn2CCN1C(=O)C1CCC1 585097047 FDNIIUVHEMLXMX-CYBMUJFWSA-N 330.432 1.751 0 40 EDAB COC[C@@H](C)NC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1 47658100 IZONPRQZXSQSBV-MRVPVSSYSA-N 340.323 1.025 0 40 EDAB COc1ccc2cc(CN(C)C(=O)[C@H](C)N(C)CC(N)=O)ccc2c1 52831591 IMHYLFSDKGLTLD-ZDUSSCGKSA-N 343.427 1.612 0 40 EDAB COc1cccc(C(=O)N[C@H]2CCCCNC2=O)c1OC(F)F 56977649 DBTUHTQSIBKEMQ-JTQLQIEISA-N 328.315 1.695 0 40 EDAB Cc1nc(C)c(CCNC(=O)NCC(=O)NCc2ccco2)s1 71888443 CTMQVRIHYSKZDP-UHFFFAOYSA-N 336.417 1.511 0 40 EDAB COCCn1nc([C@@H]2CCCN(C(=O)C3CC3)C2)n(C2CC2)c1=O 77150265 QGLFZRVAWDCZQX-CYBMUJFWSA-N 334.420 1.142 0 40 EDAB COCCNC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96374155 GAIWBKWPYRVGRT-UHFFFAOYSA-N 344.408 1.420 0 40 EDAB CCOCc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C 558662235 NKJAMGHHQTYUPW-GFCCVEGCSA-N 335.383 1.934 0 40 EDAB O=C(O)CN1CC[C@H](Oc2ccc(F)cc2Br)C1=O 663218783 HEAWVADVNHCNAI-JTQLQIEISA-N 332.125 1.653 0 40 EDAB CCOC(=O)N1CCN(C(=S)NC(=O)c2ccccc2F)CC1 271165 XRTKYYNUQJBWJL-UHFFFAOYSA-N 339.392 1.615 0 40 EDAB CCOC(=O)C1=C(COC(=O)Cc2ccsc2)NC(=O)N[C@@H]1C 5657898 MFTHHLCUVXMQPZ-SECBINFHSA-N 338.385 1.352 0 40 EDAB Cc1cccc(-c2c(C(=O)O)c(C(=O)O)nc(C(=O)O)c2C(=O)O)n1 5337842 SYIMWFOZFXIFEH-UHFFFAOYSA-N 346.251 1.245 0 40 EDAB COc1cccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)c1 12113421 LCKPXXQHNFRCLU-BBRMVZONSA-N 343.383 1.324 0 40 EDAB NS(=O)(=O)c1cccc(S(=O)(=O)NCCC2=CCCCC2)c1 23391196 JWQSAVYLADOYOS-UHFFFAOYSA-N 344.458 1.503 0 40 EDAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N(C)Cc1cnn(C)c1)C2=O 24481882 BZAJOHGBFFTTEL-LBPRGKRZSA-N 340.383 1.372 0 40 EDAB O=S(=O)(NCCCN1CCOCC1)c1ccc(F)c(Cl)c1 25746893 SGKBRHRQILYXTM-UHFFFAOYSA-N 336.816 1.480 0 40 EDAB CCCCNC(=O)NC(=O)CN1CCN(c2ccc(F)cc2)CC1 35268059 XQFLRCFPQZWKSN-UHFFFAOYSA-N 336.411 1.574 0 40 EDAB O=C(c1ccc2n1CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CC2)N1CCCC1 1565547406 PHKMRSWUXOKXLI-QLPKVWCKSA-N 343.427 1.001 0 40 EDAB COc1ccc(N2C[C@H](NC(=O)NCCCOC(C)C)CC2=O)cc1 4479566 PILGKQJRVRVUPR-CQSZACIVSA-N 349.431 1.915 0 40 EDAB CC(C)c1ccc(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 4505364 NJPQSQOXUACRDF-ZDUSSCGKSA-N 331.459 1.618 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1F 4941494 FTTVFLGQDYOQOK-ZDUSSCGKSA-N 336.363 1.875 0 40 EDAB CS(=O)(=O)c1ccc(CC(=O)Nc2sccc2C(N)=O)cc1 10252791 XGKZMJOZUAJRAI-UHFFFAOYSA-N 338.410 1.432 0 40 EDAB COC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@@H]1c1cccnc1 12416523 XLILBSCFDHSFAI-SNVBAGLBSA-N 344.396 1.829 0 40 EDAB COc1ccc(CN2CCC(C(=O)N(C)C)(n3ccnc3)CC2)cc1 2055704299 DKRVXRFYWPEUES-UHFFFAOYSA-N 342.443 1.971 0 40 EDAB COc1ccc(CCC(=O)N2CCCN([C@H]3CCOC3)CC2)cc1 271435921 QSVWLWKLGPSNCH-KRWDZBQOSA-N 332.444 1.951 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CC[C@@H](Oc2cnccn2)C1 225796764 AFCRANNXWZCYBP-CYBMUJFWSA-N 342.355 1.568 0 40 EDAB C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccccc1)c1ccccc1 70639742 KGRZVNYLOAXQJH-LIRRHRJNSA-N 326.396 1.888 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)N1CCC[C@H](N2CCCC2=O)C1 96427988 OALTVBBIONSTSN-ZDUSSCGKSA-N 340.420 1.910 0 40 EDAB COc1cc(C)c(S(=O)(=O)NCC(C)(C)N(C)C)cc1OC 40527708 JOZHTLJSBMWINO-UHFFFAOYSA-N 330.450 1.631 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)CN2CCOCC2)cc1Cl 40528172 BWYDZWHWCSDLDX-LLVKDONJSA-N 348.852 1.348 0 40 EDAB COc1cc(OC)c2[nH]c(C(=O)NC[C@@H](C)N3CCOCC3)cc2c1 40512411 POJGLGNMXMHXJY-GFCCVEGCSA-N 347.415 1.636 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCCNC1=O 40521599 LJESTSGRNSLYGS-CYBMUJFWSA-N 328.372 1.279 0 40 EDAB CCc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O 37701 RPZVMGLBBBEHBT-AWEZNQCLSA-N 340.445 1.310 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2ccccc2Cl)C1 69701325 WMYNPKHUYFSZDM-GWCFXTLKSA-N 325.796 1.557 0 40 EDAB COC(=O)Cc1cnc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)s1 473790 NJTABUOLHYYUDX-ULCXWNMLSA-N 338.385 1.544 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccncc1 32276876 WMNBYVGTQMYHAF-ZHAHRWAOSA-N 345.424 1.962 0 40 EDAB CC1CCN(C[C@@H](O)CN2CCN(C[C@H](O)C(C)(C)C)CC2)CC1 69776627 UWQLVHOFPRUKKO-MSOLQXFVSA-N 341.540 1.104 0 40 EDAB CSc1nnc(C(F)(F)F)n1NC(=O)c1ccnn1C(F)F 2790149 BXKFNUHEYGLYMF-UHFFFAOYSA-N 342.253 1.994 0 40 EDAB O=C(NC1=NCCS1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795549 XGBZRQAMOIAEOF-CYBMUJFWSA-N 329.425 1.747 0 40 EDAB CC(C)C(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1 32748048 GGOFTAHROAYOTP-UHFFFAOYSA-N 326.400 1.813 0 40 EDAB Cn1c(S)nc2cc(C(=O)NCCc3ccccn3)ccc2c1=O 102365319 BXVYNVAPRHBBGU-UHFFFAOYSA-N 340.408 1.590 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2C)C1=O 4997963 KCORCAFLCLHSKE-IZZDOVSWSA-N 334.328 1.078 0 40 EDAB O=C(NC[C@H]1CCCO1)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 4984236 WWVCGZZOBWMICS-JFBXQDQPSA-N 329.356 1.674 0 40 EDAB CC[C@@H](C)NC(=O)C1=CC(c2cccs2)=NS(=O)(=O)N1C 6800400 AOQDBPLGAAMXBL-SECBINFHSA-N 327.431 1.526 0 40 EDAB CCn1nnc2cc(C(=O)NCCc3nnc4ccccn34)ccc21 32830619 LDKHQHBXPPLIDV-UHFFFAOYSA-N 335.371 1.466 0 40 EDAB Cc1sc(=O)n(CC(=O)N2CCN(c3ccc(O)cc3)CC2)c1C 55108057 OPJUCBAMDUYVNW-UHFFFAOYSA-N 347.440 1.581 0 40 EDAB CCCOc1ccc([C@@H]2C=C(C(=O)O)Nc3nnnn32)cc1OC 101675750 CHVDIVYYLUBVOE-NSHDSACASA-N 331.332 1.454 0 40 EDAB CC(C)(Oc1ccc2c(c1)CCC2)C(=O)NC[C@@]1(O)CCCNCC1 72161113 WPWLXUVTIRAMBR-HXUWFJFHSA-N 346.471 1.954 0 40 EDAB Cc1c(CNC(=O)[C@@]2(C)Sc3ccccc3N(C)C2=O)cnn1C 57279877 MYCDTQJUYGPKIM-QGZVFWFLSA-N 344.440 1.872 0 40 EDAB O=C(N[C@H]1C[C@H]2C(=O)Nc3ccccc3C(=O)N2C1)c1ccccc1 8297773 QBRRYDPTAQLKSY-BBRMVZONSA-N 335.363 1.652 0 40 EDAB biogenic,in-vitro C[C@@]1(c2ccc(NC(=O)/C=C/c3cccnc3)cc2)NC(=O)NC1=O 32932441 KKPFMZWNZGAFNA-URPWPPKMSA-N 336.351 1.788 0 40 EDAB CN1C[C@@H](C(=O)NCc2ccnc(Oc3ccccc3)c2)CC1=O 46916881 WLXXNCNKVVWGBR-AWEZNQCLSA-N 325.368 1.968 0 40 EDAB C[C@H](C(=O)N1CC(CO)(c2ccccc2)C1)n1nnnc1C(C)(C)C 517887191 XYMSGKXCYBQKAA-CYBMUJFWSA-N 343.431 1.304 0 40 EDAB C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1C[C@H]2CC[C@H]1C2 103154529 FHJCMIABCTVYDC-PAPYEOQZSA-N 328.478 1.599 0 40 EDAB CC(C)(C)c1nc(CN2CCN(C(=O)Cn3cncn3)CC2)cs1 53597413 JLTQJIFZYSQMBG-UHFFFAOYSA-N 348.476 1.377 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)COC(=O)c1cccc(OC)c1OC 103999902 UUSOMUOJVBGMBB-XMHGGMMESA-N 347.371 1.528 0 40 EDAB O=C(CN1CCOCC1)Nc1ccccc1C(=O)NC1CCCC1 23750305 FDLXBJAVMRTDSW-UHFFFAOYSA-N 331.416 1.630 0 40 EDAB C[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1nncn1C 43481538 JJTWYNWZAABUCA-MNOVXSKESA-N 331.376 1.708 0 40 EDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)OCc1nnsc1Cl 25100836 JUOILUSVRJKSKT-UHFFFAOYSA-N 340.748 1.697 0 40 EDAB COCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2 108535084 DDOIXEROVKTUKS-UHFFFAOYSA-N 334.391 1.813 0 40 EDAB COc1ccc(Cl)cc1CC(=O)N[C@]1(C(=O)O)CCSC1 43508973 GEMNYKYFDULSQE-CQSZACIVSA-N 329.805 1.968 0 40 EDAB Cc1csc(CNC(=O)N2CCN(Cc3cscn3)CC2)n1 56593453 NFSIYIWHHMNDQF-UHFFFAOYSA-N 337.474 1.935 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)N1CCOCC1 57169599 QVPMCCJXPNUOID-PKOBYXMFSA-N 345.487 1.736 0 40 EDAB O=c1c2ccccc2nnn1CN1CCN(c2ccc(F)cc2)CC1 57395021 DUQHEODQDFBRPS-UHFFFAOYSA-N 339.374 1.710 0 40 EDAB O=C(Nc1cccnc1-n1cncn1)[C@@H]1CC(=O)N(c2ccccc2)C1 58191566 DWXCDALPYNSYSC-CYBMUJFWSA-N 348.366 1.654 0 40 EDAB C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)N2CCCCC2)C1=O 58180250 ATPADICIXMTNMX-KRWDZBQOSA-N 333.363 1.605 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccc(F)cc2)C1 65496248 XCNCKMWSHWPWHW-GFCCVEGCSA-N 328.409 1.850 0 40 EDAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCN(c2cnccn2)CC1 27634740 MCGORQADLYMDLS-CYBMUJFWSA-N 330.392 1.312 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cncn1-c1ccc(F)cc1 44907990 MHAUMUKUJPGXHX-NSHDSACASA-N 337.376 1.176 0 40 EDAB COc1ccc([C@H](C)NC(=O)NCCNc2ncccn2)c(OC)c1 44969071 FKTONCJKVWNWNT-LBPRGKRZSA-N 345.403 1.966 0 40 EDAB COc1cccc(CCC(=O)NC[C@@H]2CCS(=O)(=O)C2)c1OC 44907948 UACYRSSDSQJENV-LBPRGKRZSA-N 341.429 1.187 0 40 EDAB COc1c(CNCc2ccc(CS(C)(=O)=O)cc2)c(C)nn1C 58316931 WIMRSVXYRZKSHR-UHFFFAOYSA-N 337.445 1.572 0 40 EDAB CN1N=C(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCC1=O 58394370 JQXWNTDNNBGYKC-CYBMUJFWSA-N 348.472 1.685 0 40 EDAB CCc1nnc2n1CCN(C[C@H](O)c1ccc3c(c1)OCCO3)C2 69453607 NPKYBTILQMGTJY-ZDUSSCGKSA-N 330.388 1.161 0 40 EDAB COc1ccc(OC[C@@H](O)CN2CCO[C@H](Cn3cccn3)C2)cc1 69487248 LPFGKNNNLYFAST-YJBOKZPZSA-N 347.415 1.032 0 40 EDAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)cs2)cc1 13306331 YIDBXXIHESRCNQ-UHFFFAOYSA-N 341.410 1.976 0 40 EDAB C[C@H](C(=O)N1CCOCC1)N1CCCN(Cc2ccccc2F)CC1 69533600 RKKADPPRZQESTN-MRXNPFEDSA-N 349.450 1.581 0 40 EDAB Cc1cc(=O)nc(N2CCOCC2)n1COCCCc1ccccc1 5274857 YFVKVEDDIKQKJQ-UHFFFAOYSA-N 343.427 1.995 0 40 EDAB COCc1cccc(N[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 65435146 ACTOVCJGVCJXMI-DOMZBBRYSA-N 340.445 1.279 0 40 EDAB CCN(C(=O)N1CCC(C(=O)NCCN(C)C2CC2)CC1)C(C)C 65447250 AKSJWJWOMYBWLV-UHFFFAOYSA-N 338.496 1.759 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H](OC[C@@H]2CCCO2)C(C)C)c(=O)[nH]1 65494695 OJTZRTAFQYTHAH-HOCLYGCPSA-N 336.432 1.828 0 40 EDAB Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(Cl)cc1)C1=C(COC1=O)N2 4495911 DJIZKKDRBHSBOB-SNVBAGLBSA-N 345.742 1.095 0 40 EDAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 4418954 VKEXENGEAXTBED-UHFFFAOYSA-N 348.399 1.972 0 40 EDAB Cc1cn2nc(N3CCC[C@@H](CN4CCN(C)CC4)C3)sc2n1 65564371 WKWPQYVOCMZZHC-AWEZNQCLSA-N 334.493 1.563 0 40 EDAB Cc1nc(C2(NCc3c(C)nn(C)c3N3CCOCC3)CCC2)no1 65563877 QIRFWLVIVHFJNL-UHFFFAOYSA-N 346.435 1.426 0 40 EDAB Cc1cc(C(=O)O)c(NC(=O)Cn2nc3c(cc2=O)CCCC3)s1 69951984 BOFFPYKCMNZQDV-UHFFFAOYSA-N 347.396 1.829 0 40 EDAB O=C([C@H]1CCCCN1C(=O)CCc1ccsc1)N1CCOCC1 66485224 UJUCBWJRQAQGON-OAHLLOKOSA-N 336.457 1.921 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(-n2cnnn2)c1 8724283 YDYJZQSVGXFIDE-UHFFFAOYSA-N 337.339 1.663 0 40 EDAB Cc1nccn1Cc1ccc(NS(=O)(=O)c2cnn(C)c2)cc1 66737860 QGJRFTDJLGRUAM-UHFFFAOYSA-N 331.401 1.774 0 40 EDAB Cc1cc2c(cc1Br)N(Cc1n[nH]c(=O)[nH]1)C[C@H](C)O2 92619059 MRKLVYOSQFJRNZ-QMMMGPOBSA-N 339.193 1.956 0 40 EDAB Nc1nc(N[C@H]2CCN(c3ncccc3F)C2)cc(-n2cccn2)n1 92921036 MHEJOCIJGHWPNG-NSHDSACASA-N 340.366 1.469 0 40 EDAB Cc1ccc(C)c(C(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1 8011968 VGYLEMCNWQRLPK-GFCCVEGCSA-N 340.383 1.494 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCC[C@H]([C@@H](C)O)C1 96009972 VXAFVLWHLPKCQI-CABCVRRESA-N 343.493 1.937 0 40 EDAB CCCCN(CC)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 9364258 NQAUKWIVVYXKSU-UHFFFAOYSA-N 337.445 1.764 0 40 EDAB C[C@@H](O)C1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 96420851 UNRGZESXSGNDIZ-CRAIPNDOSA-N 332.444 1.507 0 40 EDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1OC 9577050 FYTPIBKFLBJMLO-CHWSQXEVSA-N 340.470 1.786 0 40 EDAB Cc1ccccc1[C@H](CC(=O)N(CC(N)=O)C1CCCC1)NC(N)=O 71821129 CDQNLLFNWPGUAM-HNNXBMFYSA-N 346.431 1.351 0 40 EDAB COCCN1CCN(CC(=O)Nc2ccc(Cl)cn2)C[C@@H]1C 71864767 KETCWHXLNZWSDY-LBPRGKRZSA-N 326.828 1.326 0 40 EDAB CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1noc2c1CCCC2 71889592 LNFRTESHFUWHSS-OAHLLOKOSA-N 341.411 1.983 0 40 EDAB CN1CCC(CN(C)C(=O)NCCC(=O)N2CCCCCC2)CC1 71803195 DDSRGXBYVNQXPA-UHFFFAOYSA-N 338.496 1.762 0 40 EDAB CN(Cc1cccc(O)c1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 83864145 GORDSCAICWPWJX-AWEZNQCLSA-N 328.368 1.992 0 40 EDAB Cc1ccc(-c2nnc(SCCNS(C)(=O)=O)n2C)cc1 84174659 XRXYSDRSDUEHTG-UHFFFAOYSA-N 326.447 1.432 0 40 EDAB Cc1ccc(-n2nc(C)cc2NC(=O)COCC(F)(F)F)nn1 84191785 TUXSYWYVJNXANU-UHFFFAOYSA-N 329.282 1.797 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)NCCSc1ccc(Cl)cc1 9722112 JYXYPTDTUMJVCM-UHFFFAOYSA-N 339.804 1.099 0 40 EDAB O=C(COCCOc1ccccc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269238 NRYVZAHMUUZXSK-MSOLQXFVSA-N 348.443 1.140 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)n1 78889585 YLNONTARWPGJKB-OCCSQVGLSA-N 345.403 1.691 0 40 EDAB Cc1nc(COc2ccc(C(=O)N3C[C@@H](N(C)C)[C@H](C)C3)cc2)no1 78894750 RTPLAUXOSBVWKX-MLGOLLRUSA-N 344.415 1.979 0 40 EDAB CCOC(=O)c1oc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)nc1C 78815502 XOVKHQUXKBGQTA-LBPRGKRZSA-N 349.387 1.747 0 40 EDAB COC(=O)c1cnc(NS(=O)(=O)c2ccc(F)cc2Cl)cn1 97164857 NUJJQKYIFZBKOY-UHFFFAOYSA-N 345.739 1.857 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CCc4nccn4C3)cn2)n1 97197475 IBVLWUMFLNOISF-HNNXBMFYSA-N 336.399 1.825 0 40 EDAB CC(C)(C)c1noc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900663 NCUGGLHYNXTWDH-SNVBAGLBSA-N 332.408 1.569 0 40 EDAB CC(C)Oc1ccc([C@H](C)NC(=O)c2nccnc2C(N)=O)cc1 72881716 HZUKPYMZNCPRJV-NSHDSACASA-N 328.372 1.854 0 40 EDAB Cc1cc(S(=O)(=O)NCCCO)ccc1NC(=O)c1ccccc1 408608846 PZPKGJMBQMVQCK-UHFFFAOYSA-N 348.424 1.908 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)N(C)Cc2ccc(Cl)c(F)c2)C1 95447255 PUWXTSAWCVWLIV-CYBMUJFWSA-N 342.846 1.866 0 40 EDAB CCOC(=O)C1(C(=O)Nc2cccc(-n3nnnc3C)c2)CCC1 95433557 IGAFRBBGJRBHSF-UHFFFAOYSA-N 329.360 1.643 0 40 EDAB CNc1ncc(C(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)s1 95449580 IRQGMGGENRDJKM-UHFFFAOYSA-N 348.432 1.403 0 40 EDAB C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn12)c1ccccc1 95978737 RZAJLGLBGPWCPV-AXAPSJFSSA-N 349.394 1.955 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)NCc2nnc(C(C)(C)C)s2)c1C 89556292 FLIGAUNWCMSEML-UHFFFAOYSA-N 335.433 1.476 0 40 EDAB Cc1cccc(NC(=O)N2CCN(CCC(=O)N(C)C)CC2)c1C 89688753 YFXBXGIQEDZICC-UHFFFAOYSA-N 332.448 1.931 0 40 EDAB O=C(OCCN1CCN(C(=O)c2ccncc2)CC1)c1ccncc1 89884917 WAALFCHYIWWNPM-UHFFFAOYSA-N 340.383 1.091 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3cccs3)C[C@@H]1C2 306140643 UZKGBXJSARIRKO-QWHCGFSZSA-N 345.472 1.782 0 40 EDAB O=C(c1csnn1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 41687737 BSIOVOOELBMRDR-UHFFFAOYSA-N 330.413 1.431 0 40 EDAB CCN(CC)CCCNC(=O)c1nn(C)c(C)c1Br 32611310 ZNKOENQUEUWICH-UHFFFAOYSA-N 331.258 1.953 0 40 EDAB CCn1cc(CN2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)cn1 548673708 VZCKXSSQNZAJRK-MRXNPFEDSA-N 333.461 1.905 0 40 EDAB CCOC(=O)CCc1cc(N[C@@H]2CCC[C@@H]2C(=O)NC)nc(C)n1 521398640 VPHFXMCHQSVACF-UONOGXRCSA-N 334.420 1.607 0 40 EDAB CCN1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1=O 78608992 YCNVLJLEWQTDAU-AAEUAGOBSA-N 337.370 1.528 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(Cc2c(C)noc2C)CC1 60627464 KABXZQOGPODFSZ-UHFFFAOYSA-N 332.404 1.783 0 40 EDAB COc1cccc(CCNC(=O)CN2CCC[C@@H](c3ccn[nH]3)C2)c1 72270735 XKCQCHGPLXGRFW-MRXNPFEDSA-N 342.443 1.957 0 40 EDAB NC(=O)c1nnn(-c2ccc(NC(=O)c3ccc(Cl)s3)cc2)n1 70999441 PSZSBGLADIXQOH-UHFFFAOYSA-N 348.775 1.728 0 40 EDAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCC(C)C 217467068 HQRMYUGNNSHVAK-UHFFFAOYSA-N 344.433 1.768 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 78113875 QVYMKUSDEHHILW-KSSFIOAISA-N 342.443 1.807 0 40 EDAB CCOC(=O)C1CCN(S(=O)(=O)c2cnn(C(C)C)c2)CC1 72239295 IHJZNFICHMLCIE-UHFFFAOYSA-N 329.422 1.428 0 40 EDAB CCN1CCC[C@](O)(CN2CCN(Cc3cccc(F)c3)CC2)C1 46087446 WUAWNWJGFZCYBH-LJQANCHMSA-N 335.467 1.790 0 40 EDAB COCCOc1ccc(CC(=O)Nc2cc(CCO)ccn2)cc1 562964781 XNTUQBKVCVQEJD-UHFFFAOYSA-N 330.384 1.823 0 40 EDAB COCc1nc2n(n1)C[C@H](NC(=O)C1(C(F)(F)F)CCCC1)CC2 566844696 NJENFSOJORWPSD-SNVBAGLBSA-N 346.353 1.978 0 40 EDAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1cnccn1 225772483 PAZHWCRTFSHJEY-UHFFFAOYSA-N 346.774 1.281 0 40 EDAB CC[C@@H](CO)NCc1ccc(OCC(=O)N2CCCC2)c(OC)c1 60806951 GROSQYJPNKOIPQ-HNNXBMFYSA-N 336.432 1.557 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1 85470899 XFCNMPIYAOYDFM-HIFRSBDPSA-N 332.448 1.692 0 40 EDAB COc1ccc(NC(=O)C(=O)NCC[C@H](O)C2CC2)cc1Cl 77108481 ZAIAMQRMMBZDLP-LBPRGKRZSA-N 326.780 1.564 0 40 EDAB C[C@H](C(=O)O)C(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 572523131 VUNVSIHYGLSTNU-UPJWGTAASA-N 348.399 1.273 0 40 EDAB O=C(O)[C@@H](NS(=O)(=O)c1cnc2ccsc2c1)[C@H]1CCOC1 572908587 HLFNHGSSCXTXDO-UFBFGSQYSA-N 342.398 1.064 0 40 EDAB O=C(NCCn1ccnc1)NC[C@H]1CCN(Cc2ccccc2)C1 193930405 DZDPKJGTCOTLEI-QGZVFWFLSA-N 327.432 1.704 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCC([C@@H]2CCCO2)CC1)c1cnn(C)c1 195573814 JLERITRGSSWHFR-SJORKVTESA-N 349.479 1.623 0 40 EDAB COCCNC(=O)[C@@H]1C[C@@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O1 96065467 VXKBNRYYXVKKSM-BPUTZDHNSA-N 337.420 1.033 0 40 EDAB O=C(CC[C@@H]1CCCO1)NCCNc1nccc(C(F)(F)F)n1 96414551 GBMZHRZFGTYGPB-JTQLQIEISA-N 332.326 1.983 0 40 EDAB CCC(CO)(CO)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 97376856 NCRIOCZXVDEFTC-QWHCGFSZSA-N 342.233 1.802 0 40 EDAB CN1CCN(C[C@@H]2OC[C@H]3CN(Cc4ccncc4)CC[C@H]32)CC1 96185270 QZKIYFFBWBPVGJ-QRVBRYPASA-N 330.476 1.166 0 40 EDAB Cn1cccc1C(=O)NC[C@]12COC[C@H]1CN(Cc1ccccn1)C2 96108437 YWWTWMWDIVRFIB-BEFAXECRSA-N 340.427 1.299 0 40 EDAB CO[C@H]1CCN(C(=O)N2CCCC2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96109476 RYIFLCARAHHHHH-KSZLIROESA-N 344.459 1.819 0 40 EDAB Cc1ccc([C@@H]2[C@@H](C(=O)N3C[C@H](C)O[C@H](C)C3)OCC(=O)N2C)cc1 96181539 VQEGXBROURYMGR-NONVJHHQSA-N 346.427 1.529 0 40 EDAB O=C(c1ccno1)N1CC[C@@H]2O[C@H](COCCN3CCCC3)CC[C@@H]21 96186095 OSHQIIIQTMFWIU-JYJNAYRXSA-N 349.431 1.549 0 40 EDAB CC(C)Cn1cc(N2C[C@H](C(=O)N3CCSCC3)CC2=O)cn1 96192208 WOORUEZZVBJFIO-CYBMUJFWSA-N 336.461 1.467 0 40 EDAB O=C([C@@H]1CCO[C@@H]2CCN(Cc3nccs3)C[C@H]21)N1CCCO1 96058301 UPOSRPUCQPHWME-HZSPNIEDSA-N 337.445 1.534 0 40 EDAB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)C1CC1 96520213 ZUDXVYGCFJRHSY-NKWVEPMBSA-N 338.594 1.520 0 40 EDAB Cc1cccc(N2CCN(CCC(=O)NN3CCCCC3=O)CC2)c1 96444677 WJCWPKKQMCXAJP-UHFFFAOYSA-N 344.459 1.551 0 40 EDAB O=C(N1CCCC1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109028 BZHSBCHAUTYHEI-QAPCUYQASA-N 331.416 1.762 0 40 EDAB CNC(=O)CN1CCOC[C@@]2(CCCN(Cc3ccsc3)C2)C1 96049480 IHDZHZDDTHCYMH-QGZVFWFLSA-N 337.489 1.409 0 40 EDAB Cn1ncnc1CS(=O)(=O)c1nccn1-c1cccc(Cl)c1 96450246 HMGRIAGSPRNCFL-UHFFFAOYSA-N 337.792 1.628 0 40 EDAB CS(=O)(=O)CCN1CCN(Cc2ccc(Cl)cc2)C(=O)C1 96414994 BDIRHWQAQUUQQP-UHFFFAOYSA-N 330.837 1.029 0 40 EDAB COc1cc(S(=O)(=O)n2cnnc2)c(OC)cc1Br 583645776 KEQCNOUQLAPPOS-UHFFFAOYSA-N 348.178 1.295 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Cc2ccn(C)n2)cc1 583622890 BWDKEDPASPFGKG-IEBWSBKVSA-N 343.427 1.870 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(Cl)c1 96193160 HOYVWPKYZVTMNH-UHFFFAOYSA-N 348.852 1.741 0 40 EDAB CN(C)c1nccnc1C[C@H]1CCCN(C(=O)Cc2cccnc2)C1 257304472 SLVJPYUAXDPHBW-MRXNPFEDSA-N 339.443 1.961 0 40 EDAB CNC(=O)c1cccc([C@H]2CNCCN2C(=O)c2ccc(C)nc2)c1 257230634 GDEJKJNLRBSPCA-QGZVFWFLSA-N 338.411 1.536 0 40 EDAB Cc1cc(CCC(=O)O)nc([C@H]2CCCN(Cc3nccn3C)C2)n1 257270698 MVHOJNYKZWTVGM-AWEZNQCLSA-N 343.431 1.915 0 40 EDAB CN(C)C(=O)c1cc(C[C@H]2CCCN(c3ncccn3)C2)ncn1 257270899 MWCKWQVROATZML-CYBMUJFWSA-N 326.404 1.428 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)c3ccncn3)CCO2)ccn1 257212792 CEYRBKVIZCXXLZ-OAHLLOKOSA-N 341.415 1.411 0 40 EDAB COc1ccc([C@@H]2CNCCN2C(=O)Cn2nc(C)cc2C)cc1 257273197 NFQABUMVKVOGCE-KRWDZBQOSA-N 328.416 1.682 0 40 EDAB O=C(Cc1ccsc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257270384 MUANDQNLNHRFJB-HNNXBMFYSA-N 344.427 1.985 0 40 EDAB O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)c1c[nH]nc1-c1ccccc1 585090960 FSKVMQNUHGIQIU-ZDUSSCGKSA-N 338.371 1.976 0 40 EDAB CNC(=O)c1cc(O[C@H]2CCCN([C@H](C)c3noc(C)n3)C2)ccn1 585116384 SSCLTFOWLVSLSU-RISCZKNCSA-N 345.403 1.737 0 40 EDAB Cc1c(CCC(=O)N2CC[C@@H]3[C@H](CCCC(=O)N3C)C2)cnn1C 257259247 KXMUSHOYUCLRHP-HZPDHXFCSA-N 332.448 1.521 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(C(=O)c3cnco3)CCO2)ccn1 257243873 IIYFFIVTHKGYQW-AWEZNQCLSA-N 330.388 1.609 0 40 EDAB CN1CCC(Cc2ccccc2)(C(=O)N[C@@H]2CCCNC2=O)CC1 257233175 GOCTWJAAJCTPEH-MRXNPFEDSA-N 329.444 1.336 0 40 EDAB CN(C)c1cccc([C@@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 257245268 IOSLZHZKLFFARU-KRWDZBQOSA-N 346.475 1.922 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC2(c3nnc[nH]3)CCC2)[nH]n1 277683431 QLLNZLCHTUNXST-UHFFFAOYSA-N 340.391 1.354 0 40 EDAB O=C(NC[C@H]1OCCc2sc(F)cc21)c1cn(CC2CC2)nn1 1615626087 NJMPZXMGQVUHPF-GFCCVEGCSA-N 336.392 1.933 0 40 EDAB COC(=O)c1ccsc1NC(=O)c1ccc(-n2cncn2)nn1 96097897 WHWLHLYKGRTJFV-UHFFFAOYSA-N 330.329 1.158 0 40 EDAB CO[C@H]1CCN(c2ccc(NC(=O)c3cccn(C)c3=O)cc2)C1 96122201 MIOIMFAMULOYLX-HNNXBMFYSA-N 327.384 1.863 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)C3CC(F)(F)C3)[C@H]2C1 575405440 SLVHLEKZEGNLLC-DDNMXHNFSA-N 342.386 1.277 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CC(F)(F)C2)C1 575406206 YEWCXHLLZFOPJR-OASPWFOLSA-N 338.358 1.336 0 40 EDAB CNc1ncc(CN2CC[C@@](COc3cccc(F)c3)(OC)C2)cn1 585275398 BGWDOVDHVPDBDS-GOSISDBHSA-N 346.406 2.327 0 40 EDAB Cc1cccc(OC[C@]2(O)COCCN(C(=O)c3nccn3C)C2)c1 585275243 AZZDKKHKDRFKBJ-GOSISDBHSA-N 345.399 1.011 0 40 EDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)Cc1cc(C)ccc1OC 585279605 VZDDGCBXOWWQFU-LJQANCHMSA-N 348.443 1.690 0 40 EDAB NCc1cccc(C(=O)NC[C@@H]2OCC(=O)N[C@@H]2c2ccccc2)c1 585284227 GMIJBAWGDZTWQK-FUHWJXTLSA-N 339.395 1.131 0 40 EDAB COCCN1CC[C@@]12CCCN(C(=O)c1nnsc1C1CC1)C2 585102246 VEDQAAREICTIJP-MRXNPFEDSA-N 336.461 1.742 0 40 EDAB Cc1nc(C(C)(C)C)sc1C(=O)NCCN1CCCS1(=O)=O 61597276 GRUUIFAXYHTTHU-UHFFFAOYSA-N 345.490 1.514 0 40 EDAB NC(=O)C1(CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 52745210 HLWMFANYKANNCX-WDEREUQCSA-N 336.354 1.753 0 40 EDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(=O)Nc1ccccc1 56079103 TWLGADVQGJUHED-QEJZJMRPSA-N 330.384 1.958 0 40 EDAB OCCN1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 65949328 NBJZZMBQSQBNIT-UHFFFAOYSA-N 327.428 1.771 0 40 EDAB O=C(CC1CCCC1)NCCNS(=O)(=O)Cc1cccc(F)c1 68908908 JKBRQQLYWLKGFR-UHFFFAOYSA-N 342.436 1.942 0 40 EDAB C[C@@H](NCC1CCN(CCO)CC1)C(=O)NCc1cccs1 71870945 ZZRMWILXDHOYEP-CYBMUJFWSA-N 325.478 1.047 0 40 EDAB CC(C)c1nc2n(n1)C[C@@H](NCC(=O)NCCc1ccsc1)CC2 71871830 NIMPJEOQUDBWTK-AWEZNQCLSA-N 347.488 1.726 0 40 EDAB Cc1ccc2c(c1)CCN2C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 91055231 GAVDZBKTERZEDX-UHFFFAOYSA-N 349.390 1.978 0 40 EDAB Cc1cnc(CCNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CN)C2)nc1 952965125 YYLIFJPZROTGQW-VXGBXAGGSA-N 345.369 1.496 0 40 EDAB O=S(=O)(c1ccccc1Cl)N1CCC(N2CC[C@H](O)C2)CC1 96099710 LGAJSUPMJONVOA-ZDUSSCGKSA-N 344.864 1.560 0 40 EDAB CCOc1nnc(CN2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)s1 78892841 DEYYJGSMRODOLU-JTQLQIEISA-N 338.437 1.752 0 40 EDAB Cc1nc(-c2ccc(S(=O)(=O)N3CC(n4nccn4)C3)cc2)co1 888106899 CYQBSWHSNDHUFY-UHFFFAOYSA-N 345.384 1.487 0 40 EDAB COc1ccc(N2CCN(c3nccn(CC(C)C)c3=O)CC2)nc1 1615044433 CZHNFTUFBFGZQA-UHFFFAOYSA-N 343.431 1.630 0 40 EDAB Nc1c(NCCc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 5900144 GFEZZWHGFXCPLE-UHFFFAOYSA-N 336.395 1.822 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c2ccccc12 11565986 NKIFVTJAXBYZGO-UHFFFAOYSA-N 348.424 1.701 0 40 EDAB CCn1c(N2CCC(C(=O)NC[C@@H](C)O)CC2)nc2ccccc21 12116406 UYERNNCUMQKIQY-CYBMUJFWSA-N 330.432 1.770 0 40 EDAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)NCC3CC3)c(=O)n12 12181926 FJXYCYAYGTXBRF-UHFFFAOYSA-N 340.383 1.492 0 40 EDAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CC3)nc(O)c2C1 19018048 FOSGNPDKFZQLGV-HNNXBMFYSA-N 344.415 1.550 0 40 EDAB O=C1CN(C(=O)CN2CCC[C@H]2Cn2cccn2)c2ccccc2N1 19658093 WSJUCWWOZOZPFO-AWEZNQCLSA-N 339.399 1.333 0 40 EDAB CC(=O)N1CCCCC[C@@H]2[C@@H]1CCN2Cc1cnc(N(C)C)nc1 19712173 XLTYEQCWAXFRIR-SJORKVTESA-N 331.464 1.908 0 40 EDAB Cc1cc(OC2CN(C(=O)COc3ccc(F)cc3)C2)cc(=O)o1 206957307 CACRANKSCFFYOM-UHFFFAOYSA-N 333.315 1.756 0 40 EDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H](C)Oc1cccnc1)CC2 151551058 OPPAFQPTHXAARW-VNQPRFMTSA-N 334.416 1.627 0 40 EDAB Cc1ccc(NC(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1C 245015272 LTPUDRHXBCYTRQ-UHFFFAOYSA-N 330.388 1.852 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC[C@@H](Oc2cc(C)nc(C)n2)C1 575605240 OTNNWAZSHUPCFO-CYBMUJFWSA-N 345.403 1.519 0 40 EDAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)c3snnc3C)C2)n1 585147417 XOLVSNQJYRQBBZ-GFCCVEGCSA-N 333.417 1.937 0 40 EDAB CCCNC(=O)NC(=O)CN1CCC(C(=O)c2ccccc2)CC1 10832788 HNSOWJJKCFLTMX-UHFFFAOYSA-N 331.416 1.817 0 40 EDAB Cc1c(Cl)ccc2sc(N3CC(N4CCNC(=O)C4)C3)nc12 1889110033 LFUBEBWETDEEBI-UHFFFAOYSA-N 336.848 1.879 0 40 EDAB CCS(=O)(=O)N1CCC(NCc2c(C)nn(C)c2Cl)CC1 30667968 FRCLRCVIBHPLJM-UHFFFAOYSA-N 334.873 1.286 0 40 EDAB Cc1nc(S(=O)(=O)NCCn2cc(-c3ccccc3)cn2)cn1C 244933301 CLJDDAXMUMDWOB-UHFFFAOYSA-N 345.428 1.571 0 40 EDAB O=C(NCCCn1ccnc1)c1ccnc(OCC2CCOCC2)c1 253403108 PIRXYJBFXPENDP-UHFFFAOYSA-N 344.415 1.904 0 40 EDAB CN(C1CCN(c2ncnc3c2ccn3C)CC1)S(=O)(=O)C1CC1 2087143848 KEHDXIJFWCPDIF-UHFFFAOYSA-N 349.460 1.361 0 40 EDAB O=C(NCCS(=O)(=O)NC1CCCC1)c1ccc2c(c1)OCO2 4941063 XJXMPHCLMWVXSV-UHFFFAOYSA-N 340.401 1.007 0 40 EDAB CC(C)NC(=O)c1noc2c1C[C@H](NC(=O)c1cscn1)CC2 2055738658 HUSORIHTPBTQFW-SECBINFHSA-N 334.401 1.557 0 40 EDAB O=C(c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2)N1CCCCC1 2055713610 NLBOWKFIECISDJ-AWEZNQCLSA-N 330.432 1.694 0 40 EDAB COc1ccccc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 43979599 RLQCMVRULITHCB-UHFFFAOYSA-N 326.418 1.097 0 40 EDAB CC(C)[C@@H](Cn1ccnn1)NC(=O)c1cc(-c2cccnc2)on1 575615360 DNZCLROAPYVLIP-CQSZACIVSA-N 326.360 1.783 0 40 EDAB Cc1nc(S(=O)(=O)N[C@H]2CCN(Cc3ccsc3)C2)cn1C 618255970 BIGDKVFZPARVNM-ZDUSSCGKSA-N 340.474 1.343 0 40 EDAB Cc1ccc(OCCn2cc(Br)c(=O)[nH]c2=O)cc1 36462 KJXSGARQJQEYOT-UHFFFAOYSA-N 325.162 1.687 0 40 EDAB biogenic,in-vitro Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)no1 40467594 QREDKSUPFDZZFF-LLVKDONJSA-N 343.339 1.746 0 40 EDAB CC(=O)N1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 40489743 VMYHFVFYZLALRB-UHFFFAOYSA-N 334.351 1.452 0 40 EDAB Cc1c(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cnn1C 40485061 YCZDOBKTIYAWEE-JTQLQIEISA-N 336.417 1.209 0 40 EDAB CC(=O)N1CCN(C(=O)NCc2ccccc2Cn2cccn2)CC1 40477830 PFKNSWYVIZWOPR-UHFFFAOYSA-N 341.415 1.305 0 40 EDAB Cn1nc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c2ccccc2c1=O 40553925 INJIVRKSXNBFGH-LSDHHAIUSA-N 327.384 1.717 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)NCc1ccc(F)cc1C(F)(F)F 40529300 ZGBVTVNEILTKBH-UHFFFAOYSA-N 345.252 1.011 0 40 EDAB COc1ccc(CCNC(=O)c2nc3ccccc3c(=O)n2C)cc1 32092041 OKHJACZQTZWUAH-UHFFFAOYSA-N 337.379 1.915 0 40 EDAB COc1ccc(C2(C(=O)N3CCN(C)CC3)CCOCC2)cc1OC 20729707 LFXDMWKCHVXUJP-UHFFFAOYSA-N 348.443 1.526 0 40 EDAB C[C@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)NC(C)(C)C 17056173 MVVQMWBMBUJTHI-JTQLQIEISA-N 327.402 1.550 0 40 EDAB Cc1cccc(N(CCC(N)=O)CC(=O)Nc2c(C)nn(C)c2C)c1 69490528 YXDAGAXBIOOLSQ-UHFFFAOYSA-N 343.431 1.666 0 40 EDAB NC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 69453767 GGYIVJNLJGGBCI-SSDOTTSWSA-N 340.298 1.340 0 40 EDAB CC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3392874 BSEOZJJIZAMHNQ-UHFFFAOYSA-N 325.386 1.607 0 40 EDAB CCCc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc1 32858314 IWVDPXXTNUHOJY-UHFFFAOYSA-N 329.356 1.531 0 40 EDAB Cc1c(CCO)c(=O)oc2cc(OC[C@@H](O)CNC(C)C)ccc12 6484015 ZWHQQZPSNWXEQV-ZDUSSCGKSA-N 335.400 1.374 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1 6970963 VZDQZTXHLZYQNA-UHFFFAOYSA-N 339.804 1.330 0 40 EDAB O=C1C=C(N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccccc1 2727707 SRDISNLLTYRBNW-UHFFFAOYSA-N 349.390 1.972 0 40 EDAB Cc1cc(=O)c(C(=O)NC[C@@H]2CCOC2)nn1-c1ccccc1F 41372385 ZDKJJJXZPYRVDZ-LBPRGKRZSA-N 331.347 1.446 0 40 EDAB COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1 8287112 IFIZSSFTAXEVQW-UHFFFAOYSA-N 338.360 1.751 0 40 EDAB CCOC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 53239292 SSCKBHWTUOBION-ZBFHGGJFSA-N 346.427 1.915 0 40 EDAB CC(C)C(=O)NCCNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 22278570 SRPVFOWXBYHSLY-JXMROGBWSA-N 343.427 1.715 0 40 EDAB CC(C)n1nccc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 22289947 SXOKGFWTMBRZCI-UHFFFAOYSA-N 347.419 1.999 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)NCCc2cccc(F)c2)cn1 61610363 FEPPOZZDTFPSQT-UHFFFAOYSA-N 337.376 1.988 0 40 EDAB O=C(Nc1ccc(C(=O)NCC(=O)N2CCCC2)cc1)NC1CC1 42025602 VNELDBOLCBSHEQ-UHFFFAOYSA-N 330.388 1.323 0 40 EDAB CS(=O)(=O)N1CCc2cc(C(=O)NCc3ccccn3)ccc21 9185400 NFEWXZIZUQRGPG-UHFFFAOYSA-N 331.397 1.334 0 40 EDAB COC(=O)CC1CCN(C(=O)c2ccc(C)c(-n3cnnn3)c2)CC1 61721802 MLYSZBRTLIDKIU-UHFFFAOYSA-N 343.387 1.386 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N(Cc1ccco1)Cc1ccco1 42872277 VDLINYXFLPHQKN-LBPRGKRZSA-N 338.385 1.772 0 40 EDAB CC(=O)N[C@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)C(C)C 24191432 QUXKWWMLTIKTBH-SFHVURJKSA-N 347.459 1.642 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)c3cnccc3C)CC2)C1=O 108534226 DRQBCBUOUYQUEX-IBGZPJMESA-N 345.443 1.881 0 40 EDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)N1CCc2ccccc21 43228785 ZWNPVVMXMVBAKR-SFHVURJKSA-N 347.484 1.967 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-n2ccnc2)nc1 24900751 WGHXOWMXTCKZBZ-LLVKDONJSA-N 325.328 1.617 0 40 EDAB Cn1cc(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cn1 25309696 RXLVUAVBTGJXJP-ZIAGYGMSSA-N 348.403 1.341 0 40 EDAB NC(=O)C1CCN(C(=O)CN2CCC[C@@H]2c2ccc(F)cc2)CC1 25360975 GJYXMJSYHJKXJD-MRXNPFEDSA-N 333.407 1.687 0 40 EDAB CCn1nc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c2ccccc2c1=O 56017169 OURAHUBUCCGYTI-NEPJUHHUSA-N 342.399 1.142 0 40 EDAB C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)c1nnc(C2CC2)n1C 47945485 CCUSJHGRKRGNFH-NSHDSACASA-N 348.428 1.518 0 40 EDAB O=C1CC[C@H](NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CN1 107359411 SSWBDJKQCHGFPS-QWHCGFSZSA-N 336.823 1.497 0 40 EDAB COC(=O)c1ccc(OC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3269104 UXXPZIGHWPUQNE-UHFFFAOYSA-N 338.319 1.939 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)[C@@H]1COc2ccc(Cl)cc2C1 44721056 UPCCLLWCNUQBDP-PWSUYJOCSA-N 343.832 1.442 0 40 EDAB CS(=O)(=O)Nc1cccc(C(=O)O[C@@H](C(N)=O)c2ccccc2)c1 10123679 PJPKYAIYNBVLRS-CQSZACIVSA-N 348.380 1.442 0 40 EDAB C[C@@H](C(=O)NC1CCN(Cc2ccccc2F)CC1)S(C)(=O)=O 58167296 HYCINDPOKKXQTK-LBPRGKRZSA-N 342.436 1.339 0 40 EDAB O=C(NCc1cn2ccccc2n1)N1CCN(c2nccs2)CC1 44895149 JSPOHKCKPICYCR-UHFFFAOYSA-N 342.428 1.823 0 40 EDAB COc1ccc(COC[C@H](O)Cn2nnc3ccccc3c2=O)cc1 44891861 PCMVOVIWIOPTFL-CQSZACIVSA-N 341.367 1.378 0 40 EDAB NC(=O)[C@H](NCCNC(=O)Cc1ccc(F)cc1)c1ccccc1 58281948 XIPSKLIZSOWGEL-QGZVFWFLSA-N 329.375 1.301 0 40 EDAB O=S(=O)(NCCNc1cnccn1)c1ccccc1OC(F)F 58281595 ZUZBOGFYBFCIHW-UHFFFAOYSA-N 344.343 1.468 0 40 EDAB CC(C)(C)C(=O)NCC(=O)NCc1ccc(CN2CCOCC2)cc1 21936101 KSEVYYXYOUXYFF-UHFFFAOYSA-N 347.459 1.297 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(OC)cc1 58246285 MEDGJTZEACNWIF-UHFFFAOYSA-N 346.408 1.806 0 40 EDAB CCc1nnc(NC(=O)CN2CCC(N3CCCCC3)CC2)s1 26439276 SNLABUIDISAYNH-UHFFFAOYSA-N 337.493 1.989 0 40 EDAB CCOc1ccc(S(=O)(=O)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 44947585 HSKINZWPZQLYBM-TZMCWYRMSA-N 341.429 1.543 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CCCNc1ncnc2[nH]cnc12 44915549 GOOJBFCHTMPGAW-UHFFFAOYSA-N 329.364 1.020 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)[C@@H]2CCCN2C(C)=O)Oc2ccccc21 44979748 ORLCANXFJGEVIM-WBVHZDCISA-N 345.443 1.743 0 40 EDAB CN(C)c1ncccc1CNC(=O)NC[C@H]1COc2ccccc2O1 44948727 GTRPZDIRLZWTRW-AWEZNQCLSA-N 342.399 1.787 0 40 EDAB Cc1oc(-c2cccs2)nc1C(=O)NC1CCN(CC(N)=O)CC1 44938888 ZFNOLOGJRFXZQB-UHFFFAOYSA-N 348.428 1.391 0 40 EDAB CC(C)c1noc([C@H](C)N2CCC(NC(=O)c3cnn(C)c3)CC2)n1 44950299 HUCCDYLNNDHEEE-LBPRGKRZSA-N 346.435 1.882 0 40 EDAB COc1ccccc1C1(C(=O)NC[C@H]2CCS(=O)(=O)C2)CCC1 58355937 BDMZZHWZLGGTIF-CYBMUJFWSA-N 337.441 1.668 0 40 EDAB CC(=O)Cn1c(COC(=O)c2ccco2)nc2ccccc2c1=O 3305059 KEJKGTWYVQUWRJ-UHFFFAOYSA-N 326.308 1.936 0 40 EDAB Cc1nn2c(=O)cc(CN(C)Cc3ccc4c(c3)OCO4)nc2s1 48331502 VYAKSOLMBMSHEN-UHFFFAOYSA-N 344.396 1.820 0 40 EDAB O=C(Cn1nnn(-c2ccccc2)c1=O)NCc1cccc(Cl)c1 12810818 DLAMEMBZQYORHM-UHFFFAOYSA-N 343.774 1.399 0 40 EDAB COc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)c(O)c1 69596241 VFSBQYSEUQKFIJ-UHFFFAOYSA-N 346.387 1.182 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)c1 13071889 WEQRHLVNZDTSRZ-UHFFFAOYSA-N 349.364 1.635 0 40 EDAB CN(C)C(=O)[C@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccccc1 17890057 GNYKYVCNGBZLAJ-OAHLLOKOSA-N 326.352 1.772 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 39188005 YKEYYJZOINHUBH-IBGZPJMESA-N 337.379 1.991 0 40 EDAB COc1ccc(OC)c(CNC(=O)N2CCC(n3cncn3)CC2)c1 69848026 YTGQTCCNQCMWBD-UHFFFAOYSA-N 345.403 1.842 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)C(C)(C)n2cc(Cl)cn2)CC1 69929373 PKZPKPGOWMAEIL-CYBMUJFWSA-N 328.844 1.187 0 40 EDAB Cc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1O 14020788 CDESKARJFNZHCQ-UHFFFAOYSA-N 343.335 1.903 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)CCc2cc(F)ccc2F)[nH]1 65567909 QEXNDTWNSPEOGQ-UHFFFAOYSA-N 330.316 1.058 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 14122723 HFSAUUUBIIXWQP-KRWDZBQOSA-N 327.340 1.994 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3ncnc4nc(N)ccc34)CC2)cc1 90071121 QZOSHIZNKZLHBJ-UHFFFAOYSA-N 348.410 1.878 0 40 EDAB Cc1ccn2c(F)c(C(=O)N3[C@H]4CC[C@@H]3CC(=O)N(C)C4)nc2c1 67432673 PGRVMZYZKPVSFR-NEPJUHHUSA-N 330.363 1.617 0 40 EDAB CCN(CC)C(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 15858620 GWVRBJHIAVTRGP-UHFFFAOYSA-N 338.429 1.871 0 40 EDAB O=C(NCCOc1ccccc1F)N1CCN(c2ncccn2)CC1 9154987 MLODWTGWEDUFFM-UHFFFAOYSA-N 345.378 1.526 0 40 EDAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCC1 8192024 XRIDUJJHLQBBRP-UHFFFAOYSA-N 325.434 1.742 0 40 EDAB Cc1cc2ncn(C[C@H](O)CN3CCO[C@H](CN(C)C)C3)c2cc1C 70008232 ASRMYLOWWUZSRF-IAGOWNOFSA-N 346.475 1.276 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)COc2ccc(C(N)=O)cc2)c1 70016878 JKHBHNHHTZOBJI-HNNXBMFYSA-N 342.399 1.360 0 40 EDAB CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 70029585 QBXSHUSTPYFRBA-FZMZJTMJSA-N 336.436 1.878 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)[nH]n1 69348756 RPGUIQKRAUVNGT-UHFFFAOYSA-N 338.371 1.193 0 40 EDAB CC[C@H](NC(=O)c1cc[nH]n1)[C@@H]1CN(Cc2ccccc2)CCO1 96473741 WMXLJLMGBDGCAA-RDJZCZTQSA-N 328.416 1.819 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)n1 97086640 CMFAJOHQKGSYFF-INIZCTEOSA-N 346.818 1.853 0 40 EDAB O=C(CSc1nnnn1Cc1ccccc1)NC[C@@H]1CCCO1 9534574 RLQJDIKIBFTOGE-ZDUSSCGKSA-N 333.417 1.109 0 40 EDAB C[C@H](Cc1ccccc1F)NC(=O)NCCCN1C(=O)CCC1=O 71879787 FGKPZLVOAWHDDR-GFCCVEGCSA-N 335.379 1.595 0 40 EDAB NC(=O)CC1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1 71827052 SMYXAVZKJMQZRW-UHFFFAOYSA-N 330.363 1.739 0 40 EDAB CCCC(=O)N1CCCC[C@H]1C(=O)NCCNc1ccc(C)nn1 71883688 GTUIQWJBOKADIE-AWEZNQCLSA-N 333.436 1.494 0 40 EDAB CN(Cc1nc2ccccc2n1C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 71896773 ZCFVAATYQQGFDM-GFCCVEGCSA-N 326.400 1.543 0 40 EDAB CC(C)Oc1ccc(CNC(=O)NCC(C)(C)C(N)=O)cc1F 72268224 IZCWIUUIEVOQLQ-UHFFFAOYSA-N 325.384 1.924 0 40 EDAB CCc1nc(CN2CCC[C@H](NCCC(=O)NC3CCCC3)C2)no1 72269937 RWGQAWMRNLODJN-HNNXBMFYSA-N 349.479 1.635 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCC[C@H](n2nc(C)nc2C)C1)C1CCCC1 72235317 DEWKDPGMKZOIOI-DLBZAZTESA-N 347.463 1.753 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1c1nc(N(C)C)cc(C(F)(F)F)n1 72237814 KYGIPMZYNCLBLS-SECBINFHSA-N 331.342 1.618 0 40 EDAB CN(CC(=O)NC[C@H](CO)Cc1ccccc1)C(=O)c1cccs1 72288788 ZHPXOSXWNCDOFF-OAHLLOKOSA-N 346.452 1.788 0 40 EDAB CSCC(=O)N1CC2(C[C@H](COCc3ccncc3)CCN2C)C1 306143620 YGXLLCKGSUGIKP-MRXNPFEDSA-N 349.500 1.884 0 40 EDAB c1cc(CN2CCN(C[C@@H]3CCCO3)CC2)nc(N2CCCC2)n1 22038451 XBWGYCSWLWDOOC-KRWDZBQOSA-N 331.464 1.373 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)NCc3cccnc3N(C)C)C2)no1 72235852 CYFCCXULPBBXIL-AWEZNQCLSA-N 344.419 1.928 0 40 EDAB CC(=O)N[C@@](C)(C(=O)N1CCC[C@@H](n2nc(C)cc2C)C1)C1CC1 72235768 PLYYOAJUPHBNCJ-SJLPKXTDSA-N 332.448 1.968 0 40 EDAB COc1ccc(COCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 83947379 DVJQFSXWVIRPLK-ROUUACIJSA-N 348.443 1.269 0 40 EDAB CCNc1nc(S[C@@H](C)C(=O)NC(=O)NC)nc2ccccc12 9746315 WDODSKQUJXFBOH-VIFPVBQESA-N 333.417 1.998 0 40 EDAB Cc1cccc(OCC(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1 72279713 IDHVHMYRIPRHCB-UHFFFAOYSA-N 342.443 1.842 0 40 EDAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 9724779 JACSKSTVNFKHFZ-GXSJLCMTSA-N 349.811 1.892 0 40 EDAB C[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1cn(C)cn1 89904328 WFXGZUWUFBORPS-SNVBAGLBSA-N 336.442 1.939 0 40 EDAB CC[C@](C)(O)CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 72304458 MBPXWWHADHNGAD-HNNXBMFYSA-N 326.418 1.018 0 40 EDAB CCCc1nc(CN2CCc3ncnc(N4CCOCC4)c3C2)no1 97202371 NHDDGJBNXBEXCO-UHFFFAOYSA-N 344.419 1.207 0 40 EDAB O=C(CN1CCc2sccc2C1)Nc1cccnc1-n1cncn1 84358346 QCMJXJAGNJWONI-UHFFFAOYSA-N 340.412 1.721 0 40 EDAB Cc1cc(=O)c(C(=O)N(Cc2cccnc2)C2CCN(C)CC2)c[nH]1 72436536 RKSUYQVJVDTQJL-UHFFFAOYSA-N 340.427 1.815 0 40 EDAB C[C@H](C(=O)Nc1nccs1)N1CCO[C@H](CNc2cccnn2)C1 76049892 ZZSFOTLQKAMYAH-VXGBXAGGSA-N 348.432 1.073 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)C[C@@H]1N1CCOCC1 84735755 YOOZAPJMWBHREB-VKJFTORMSA-N 346.427 1.396 0 40 EDAB CCCn1nc2c(cc1=O)CN(Cc1nnc(OCC)s1)CC2 84759101 LNJBNMBMBSMKFD-UHFFFAOYSA-N 335.433 1.462 0 40 EDAB CCN(CC(=O)N1CCCS1(=O)=O)Cc1ccc(Cl)cc1 95445004 ICMJHHZELASTNL-UHFFFAOYSA-N 330.837 1.724 0 40 EDAB CCc1cnc(N2CCOC[C@]3(CC[C@@H](Cn4cncn4)O3)C2)nc1 306129133 HVKFPYMBUBRYDF-RDJZCZTQSA-N 344.419 1.085 0 40 EDAB CNC(=O)c1cc(N(C)S(=O)(=O)c2cc(C)sc2C)ccn1 95966640 LKGGBFUGKUVUCS-UHFFFAOYSA-N 339.442 1.945 0 40 EDAB O=C(CN1CCN(c2cnccn2)CC1)N1CCCc2ccccc21 95947298 XTQYEXQSOWQPAY-UHFFFAOYSA-N 337.427 1.578 0 40 EDAB CCc1cc(=O)[nH]c(CN2CCCN(C(=O)c3ccccc3)CC2)n1 89282862 SOOUXDWIURXIQD-UHFFFAOYSA-N 340.427 1.680 0 40 EDAB Cc1noc(C)c1CNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 79751479 SHEOOKQCEWRTSG-NSHDSACASA-N 326.360 1.822 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N(C)Cc1ccncc1 75123864 GVZDXXIQMCZUPL-UHFFFAOYSA-N 349.394 1.736 0 40 EDAB CN1CCN(CCCNC(=O)COc2ccccc2Cl)CC1 61524198 MFXYVRRZEDMHFR-UHFFFAOYSA-N 325.840 1.473 0 40 EDAB Cn1cnnc1C1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1 30855207 INSDAHUTCYUKSV-UHFFFAOYSA-N 337.387 1.416 0 40 EDAB O=C(c1cncnc1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1 1011035038 MBUWDKSWQOUKQK-UHFFFAOYSA-N 336.395 1.493 0 40 EDAB CN(Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 185835406 OAARHDRATZJXFC-KRWDZBQOSA-N 345.443 1.952 0 40 EDAB CCn1ncc(CNS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)n1 530153579 XEBXQZJYGFZJQK-UHFFFAOYSA-N 338.389 1.092 0 40 EDAB CCCN1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 35528437 DZGBOZVWAFIEJM-UHFFFAOYSA-N 328.434 1.420 0 40 EDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 218095403 LFYXCTKVCKRHEA-SQNIBIBYSA-N 347.436 1.572 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccccc2)s1 36182596 GHARAVRWTZPITL-MRVPVSSYSA-N 326.403 1.536 0 40 EDAB CN1C(=O)NC2(CCN(Cc3ccc(F)c(Cl)c3)CC2)C1=O 189784180 MGUQBABHADZCOS-UHFFFAOYSA-N 325.771 1.995 0 40 EDAB Cc1nc([C@@H]2CCCN2CC(=O)Nc2nccs2)ncc1C(N)=O 72345431 CGGZUSSYURGCJA-NSHDSACASA-N 346.416 1.116 0 40 EDAB CC(C)[C@H](N)C(=O)N1CC[C@H](N(C)C(=O)OCc2ccccc2)C1 79428198 KCHHJARAPDCTCJ-HOTGVXAUSA-N 333.432 1.839 0 40 EDAB CN(C)C(=O)CCc1cccc([C@H]2CCCN(CC(=O)N(C)C)C2)n1 72360504 BDWRNGZGOYONMY-HNNXBMFYSA-N 346.475 1.370 0 40 EDAB CCn1ccc(NC(=O)c2cc(NC(=O)c3ccco3)n(C)n2)n1 40745874 VQPXBVGTAATRJL-UHFFFAOYSA-N 328.332 1.734 0 40 EDAB CCc1c(NC(=O)N[C@H]2CCc3ncnn3C2)cnn1CC(C)C 133215864 ZTMMTECXSWRUSV-LBPRGKRZSA-N 331.424 1.830 0 40 EDAB Cc1ccccc1CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 44302491 PZPRCFGMUBEUFF-UHFFFAOYSA-N 339.438 1.877 0 40 EDAB Cc1cc(NCc2cccc(NS(C)(=O)=O)c2)n2ncnc2n1 40487747 WNJODTHIYIJPEZ-UHFFFAOYSA-N 332.389 1.416 0 40 EDAB Cc1nc(C(C)(C)NS(=O)(=O)Cc2cccc(C(=O)O)c2)no1 570512303 IYKGZKDDHICOMR-UHFFFAOYSA-N 339.373 1.431 0 40 EDAB Cn1c(=O)n(C)c2cc(CNC(=O)Cn3cc4ccccc4n3)ccc21 19146292 ZZZPATBXVGUXAR-UHFFFAOYSA-N 349.394 1.543 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)NCc1nccc(N)n1 571305980 BCBITWUSPRQATK-UKRRQHHQSA-N 325.416 1.443 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)c(Cl)cc1Cl 75158395 ZOOOWBXIFNHEET-MRVPVSSYSA-N 337.228 1.811 0 40 EDAB O[C@@]1(Cn2ccnn2)CCCN(Cc2noc(C3CCCCC3)n2)C1 571945190 FWNAVKFQCKSVCZ-KRWDZBQOSA-N 346.435 1.736 0 40 EDAB CNC(=O)c1cc(O[C@H]2CCCN(CCc3ccncc3)C2)ccn1 583651324 LCSQODNEOSPGCP-KRWDZBQOSA-N 340.427 1.922 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)CN2CCOCC2)cc1 583621068 WSIWEVGOBFGDSK-IEBWSBKVSA-N 348.443 1.226 0 40 EDAB O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCc1cccnc1 96418180 GIQXMMAVQMDZAZ-UHFFFAOYSA-N 340.351 1.937 0 40 EDAB O=C(c1ccco1)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 96159150 OVJRAIBEWSERDD-UHFFFAOYSA-N 342.355 1.108 0 40 EDAB COCCN1C[C@@H](C(=O)NCCc2cccs2)C[C@H]2OCC[C@H]21 97953674 UFCFNDOKPOVEOI-NUEKZKHPSA-N 338.473 1.533 0 40 EDAB COc1cccc(CN2C[C@H]3OC[C@H](C(=O)N4CCCO4)[C@H]3C2)c1 96215913 SJKLIKFNWPJMKV-IXDOHACOSA-N 332.400 1.306 0 40 EDAB CCc1cccc2c(CCNC(=O)N[C@H]3CCS(=O)(=O)C3)c[nH]c12 96405609 OEXXPDXBCLOZTN-AWEZNQCLSA-N 349.456 1.759 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2OC[C@H](C(=O)NCc3ccco3)[C@H]2C1 96219265 KUSSGOFFTODVOS-IXDOHACOSA-N 345.399 1.648 0 40 EDAB CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)C1 332733870 XAIQLAHIJUTYIS-JTQLQIEISA-N 330.475 1.802 0 40 EDAB C[C@@H](CNC(=O)c1cnn(C)c1-c1ccccc1)N1CCOC[C@H]1C 96492253 IRJLZHSOUWMCJY-LSDHHAIUSA-N 342.443 1.926 0 40 EDAB CN(C)c1nc(-c2cnn(C)c2)nc2c1CN([C@@H]1CCOC1)CC2 96254081 OAFDYTDMFLKCPR-CYBMUJFWSA-N 328.420 1.090 0 40 EDAB C[C@@H](NS(C)(=O)=O)c1onc(-c2ccc(F)cc2)c1C(=O)O 96297044 PSOPHTHLTYGERG-SSDOTTSWSA-N 328.321 1.789 0 40 EDAB biogenic,in-vitro CN(C)C(=O)COC[C@@H]1CN(Cc2ccoc2)Cc2ccnn2C1 96189059 BTPIQTJGFHGJKB-OAHLLOKOSA-N 332.404 1.213 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 96426806 LMDDMKNBQLJXNN-VXGBXAGGSA-N 336.354 1.815 0 40 EDAB COc1cc(=O)n(CC(=O)NC[C@H]2CCCO2)nc1-c1ccccc1 96184154 WBVBETKJDLCIFN-CQSZACIVSA-N 343.383 1.214 0 40 EDAB O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 96090644 XETPJFNCRYBGDU-IAGOWNOFSA-N 343.452 1.834 0 40 EDAB CN(Cc1cnc(N(C)C)nc1)C(=O)c1cc(F)c(F)c(O)c1F 97375072 CEJSHHOZVHHXNS-UHFFFAOYSA-N 340.305 1.938 0 40 EDAB Cc1ccc(CN2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)o1 96050349 GRZQHWMPWBDEHH-GOSISDBHSA-N 343.431 1.245 0 40 EDAB O=C(NCC1(c2ccccn2)CCC1)N[C@@H]1CC(=O)N2CCCC[C@H]12 580346717 VVWVFHRPVUVAEP-HUUCEWRRSA-N 342.443 1.956 0 40 EDAB CCc1nsc(N2CCCN([C@H](C(N)=O)c3ccccc3)CC2)n1 96443610 HHAUZYCZOCOARD-HNNXBMFYSA-N 345.472 1.839 0 40 EDAB O=S(=O)(c1cccnc1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108739 ORAKTFAQPWYOKR-GDBMZVCRSA-N 338.429 1.145 0 40 EDAB Cc1occc1C(=O)N1CCC2(CC1)CN(c1ncccn1)CCO2 96159031 JFMLRMQKELGRIG-UHFFFAOYSA-N 342.399 1.890 0 40 EDAB CN(C)C(=O)c1cccc(CCNS(=O)(=O)c2ccccc2)c1 96428281 DHWSYICJKQCOHU-UHFFFAOYSA-N 332.425 1.909 0 40 EDAB CCc1c(Cl)nc(C)nc1N1CCC(N(C)S(C)(=O)=O)CC1 96429265 BZKDYEHNJVBSHA-UHFFFAOYSA-N 346.884 1.861 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1 96186942 UXXJSJIYSGHIJW-UPJWGTAASA-N 325.434 1.028 0 40 EDAB Cn1cccc1C(=O)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 248089067 BXCKTKQRARISIO-ZDUSSCGKSA-N 328.372 1.268 0 40 EDAB CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 241262066 LBCBIENKFZLMFH-HOTGVXAUSA-N 347.459 1.930 0 40 EDAB CS(=O)(=O)N1CC[C@H](CN[C@H]2CCC[C@H](C(F)(F)F)C2)C1 249275251 LUTWSSRGCYHUNZ-WOPDTQHZSA-N 328.400 1.979 0 40 EDAB CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)C(C)(C)N)CC1 257245484 IPRUMDUEFTZBRH-LJQANCHMSA-N 348.491 1.384 0 40 EDAB Cc1ccsc1C(=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 42268048 DIHBSWCEKZPGPT-UHFFFAOYSA-N 339.394 1.946 0 40 EDAB CC(=O)N1CC[C@H](Cc2cnc(-c3cncc(C(=O)O)c3)cn2)C1 257237102 HFENNVSOYKEJQP-GFCCVEGCSA-N 326.356 1.648 0 40 EDAB COC(=O)CN1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 585116056 FTTILODOTVQKLS-UHFFFAOYSA-N 345.321 1.614 0 40 EDAB C[C@H]1[C@H](C)CC[C@@H](CNC(=O)OC(C)(C)C)N1C(=O)CC(N)=O 585126168 QRHDMTCVBGACIA-WOPDTQHZSA-N 327.425 1.402 0 40 EDAB COCCOc1cccc(C(=O)NCC[S@](=O)C(F)(F)F)c1 585130734 APHWQORRBRSQCQ-QFIPXVFZSA-N 339.335 1.710 0 40 EDAB O=S(=O)(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1ccc(F)c(F)c1 253473879 ZKWOBYNVFLWUQM-IIMNLJJBSA-N 333.356 1.580 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCO[C@H](Cc3cccc(F)c3)C2)c1 257264668 LVNMHEFXIBHABZ-CQSZACIVSA-N 339.392 1.191 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc(NC)nc(C)n1 257242610 IDHYRMNUJKOVNK-CYBMUJFWSA-N 327.454 1.550 0 40 EDAB Cc1nnc(NC(=O)[C@@H]2COCC(=O)N2Cc2cccs2)s1 85472605 IGKMRGAROZXKET-JTQLQIEISA-N 338.414 1.274 0 40 EDAB O=C1COC2(CCN(C(=O)NCc3ccc4c(n3)CCCC4)CC2)N1 1615588102 CFILQLGUMCCLHL-UHFFFAOYSA-N 344.415 1.109 0 40 EDAB COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)NCCc1csc(C(C)C)n1 1615586170 QUCHQMMXQAMQEE-GHMZBOCLSA-N 348.490 1.926 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575402844 DGIYBZONJGMMQZ-CQSZACIVSA-N 342.424 1.789 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@@H](CNC(=O)c3ccco3)CO2)C1 575406109 VUQUWRBNJNXLRX-RDBSUJKOSA-N 332.400 1.673 0 40 EDAB CCC(CC)NC[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O 585283645 GCYULNMBEWSZMR-AZUAARDMSA-N 348.487 1.722 0 40 EDAB Cn1cc(-c2noc(CNC(=O)c3onc4c3CCCC4)n2)cn1 585149319 JZDUIDAEKKFGTB-UHFFFAOYSA-N 328.332 1.267 0 40 EDAB COc1ccc(CCNC(=O)C[C@]2(CO)CCCN2C(C)=O)cc1C 585280548 PMSAINOJMJTPPO-IBGZPJMESA-N 348.443 1.426 0 40 EDAB NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccoc2C2CC2)c1 585123465 LURIVBHCCZPXPG-UHFFFAOYSA-N 338.360 1.874 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CCN(CC(F)(F)F)CC1 44451816 JDDAWJPODQWYCZ-UHFFFAOYSA-N 326.315 1.694 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCCc1ccccc1 52802915 SGNRPRQCFSVNBF-WBVHZDCISA-N 331.460 1.663 0 40 EDAB Cn1c(Cl)cnc1CN1CCCN(C(=O)[C@H]2CCOC2)CC1 69630111 IENFEFDPPLHYFQ-LBPRGKRZSA-N 326.828 1.144 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCC(CCc2ccc(C)cc2)CC1 83066335 RDVPCODGCWWZFF-UHFFFAOYSA-N 338.473 1.715 0 40 EDAB O=C(Cc1cccs1)N1CCCSC[C@@H]1CN1CCOCC1 85473385 HTFLTRWCXDVTJL-AWEZNQCLSA-N 340.514 1.957 0 40 EDAB O=C(c1cscn1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615161994 ROURTKZCQKFRDE-LSDHHAIUSA-N 342.461 1.678 0 40 EDAB CCc1nn(C)c(C(N)=O)c1NS(=O)(=O)c1cccc(C)c1F 1616042388 VKYDWKYHWYDWOJ-UHFFFAOYSA-N 340.380 1.330 0 40 EDAB CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 8091554 VFDYUIITZJEHJE-FPYGCLRLSA-N 342.105 1.585 0 40 EDAB CN(C)S(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1 1775975475 HXIPLCSEQIKGRI-UHFFFAOYSA-N 347.444 1.070 0 40 EDAB S=C(NCCN1CCOCC1)Nc1ccc(N2CCCC2)nc1 11102494 IQJXYJFXHXSCFI-UHFFFAOYSA-N 335.477 1.300 0 40 EDAB COCCN1CC2=C(C1=O)[C@@H](c1ccc(SC)cc1)NC(=O)N2 12347116 TUSGWBJUUCVSGG-CQSZACIVSA-N 333.413 1.505 0 40 EDAB C/C=C/c1cc(C(=O)OCC(=O)N2CCOCC2)cc(OC)c1OC 16169471 HJGFXVXTKIHDPI-SNAWJCMRSA-N 349.383 1.753 0 40 EDAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NC1CC1 16428812 ZPPMXLNQRKXTSY-UHFFFAOYSA-N 338.429 1.565 0 40 EDAB Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(=O)n1C 19131857 IUSDBXGVTPFAIF-JTQLQIEISA-N 327.340 1.665 0 40 EDAB Cc1noc(CCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1 19714177 QBVMLFAGLCUBGS-UHFFFAOYSA-N 344.371 1.422 0 40 EDAB COc1cccc(NC(=O)C2CN(C(=O)c3snnc3C)C2)c1 19747612 ONPJJTCOKLABJF-UHFFFAOYSA-N 332.385 1.566 0 40 EDAB Cc1nnsc1C(=O)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 238830660 FVGYHBJPXDCRBV-LURJTMIESA-N 333.295 1.878 0 40 EDAB CC(C)OC(=O)CS(=O)(=O)NCc1noc(-c2cccs2)n1 583651019 FGRHPGLBTKSQOW-UHFFFAOYSA-N 345.402 1.169 0 40 EDAB Cc1nsc(N(C)C2CN(S(=O)(=O)Cc3ccccc3)C2)n1 1888875563 BZAPIUJGJGWANT-UHFFFAOYSA-N 338.458 1.497 0 40 EDAB Cc1cc(N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)n2nccc2n1 1888888349 YCJIUPKLUYWZCU-GJZGRUSLSA-N 347.378 1.664 0 40 EDAB Cc1ncnc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)c1C 1776009212 AYTUEGAHRDASOR-UHFFFAOYSA-N 342.325 1.817 0 40 EDAB CCCCOc1ccc(C(=O)N2CC(N3C(=O)CNC3=O)C2)cc1 240122659 WFITXRIHYUPNFC-UHFFFAOYSA-N 331.372 1.242 0 40 EDAB CCCN1CCO[C@]2(COCCN(C(=O)c3ccccc3C)C2)C1 1614946746 BCKAAZZLLFNFCR-LJQANCHMSA-N 332.444 1.948 0 40 EDAB CO[C@H]1CCN(C2CCN(S(=O)(=O)c3cccs3)CC2)C1 1565522945 CGUWJKSDTXITBP-ZDUSSCGKSA-N 330.475 1.622 0 40 EDAB C[C@@H]1O[C@@H](Nc2ccc(OC(F)(F)Cl)cc2)[C@@H](O)[C@@H](O)[C@H]1O 4185487 SSZQWCRMTHHHNO-NPIRLYGUSA-N 339.722 1.094 0 40 EDAB CCCCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)NCCOC)C2 2055715960 OKAQYIYVAZWZCA-CYBMUJFWSA-N 336.436 1.080 0 40 EDAB CC(C)NC(=O)c1noc2c1C[C@@H](NC(=O)CC1CCOCC1)CC2 2055738923 AJGFFFJMCWQZTD-ZDUSSCGKSA-N 349.431 1.603 0 40 EDAB CSc1ncc(C)c(N2CCN([C@@H]3CCN(C(C)C)C3=O)CC2)n1 2086856603 DBPHXWPRERSNRM-CQSZACIVSA-N 349.504 1.638 0 40 EDAB CC(C)N1CC[C@H](N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)C1=O 2086848040 SZYJGJXEULCFQW-HNNXBMFYSA-N 347.463 1.105 0 40 EDAB Cc1cccn2cc(-c3ccccc3NC(=O)Cn3cnnn3)nc12 206901834 CCUKTIOXEZAHMH-UHFFFAOYSA-N 333.355 1.935 0 40 EDAB Oc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nn1 363264748 RAMGQTKLNCYWQF-UHFFFAOYSA-N 325.294 1.923 0 40 EDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@]1(O)CCc2ccccc21 75155755 LOJCJNSAGVRVHE-IBGZPJMESA-N 342.370 1.392 0 40 EDAB COc1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1C 30330029 NKPJBODVLOJEEG-UHFFFAOYSA-N 326.418 1.294 0 40 EDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C(=S)NCc2ccco2)C1 100216028 HHQCQLQBOXVYPS-STQMWFEESA-N 329.425 1.935 0 40 EDAB Cc1cn(CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2ccccc12 50558288 VQFVDQKTHYZUIB-UHFFFAOYSA-N 349.456 1.490 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)CCOc2ccccc2F)CC1 40497489 ISINWWOAOIDGQA-UHFFFAOYSA-N 344.408 1.135 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C(N)=O)C1 40441644 YVQUDJUGLPUGDQ-JTQLQIEISA-N 329.397 1.328 0 40 EDAB CNC(=O)NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 160548 BQMSXDWLBUSNSH-UHFFFAOYSA-N 342.380 1.581 0 40 EDAB CC[C@@H](CNC(=O)c1cccnc1N1CCOCC1)N1CCCC1 40540838 QBYJXWOKNKSJEQ-HNNXBMFYSA-N 332.448 1.522 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 29201186 JFHDTZGJXAXYIP-AWEZNQCLSA-N 340.420 1.398 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)c3cscn3)CC2)n1 69706900 CWMZFUITKIYXGV-UHFFFAOYSA-N 333.417 1.603 0 40 EDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1cc2ccccc2o1 46051533 YZZKQJBOMJHOCT-HZPDHXFCSA-N 344.411 1.900 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1F 32434715 CQIOKLOJFOXRMS-AWEZNQCLSA-N 344.452 1.769 0 40 EDAB CCCCN(C)S(=O)(=O)NCc1cccc(N2CCCC2=O)c1 32444168 FJFYENVKDFHFOH-UHFFFAOYSA-N 339.461 1.880 0 40 EDAB O[C@@H](COCc1ccccc1F)CN1CCN(c2ncccn2)CC1 46346186 DUFDHMCJIWSOKE-MRXNPFEDSA-N 346.406 1.315 0 40 EDAB COC(=O)C1=NN[C@H](C(=O)c2ccco2)[C@H]1c1ccc(OC)cc1 4510689 VBNHHVUAGWKNJC-KGLIPLIRSA-N 328.324 1.756 0 40 EDAB COc1ccc(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1 4995330 FLIAMKDZMPVLDR-UHFFFAOYSA-N 344.433 1.385 0 40 EDAB Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 488773 XIHARTMDURTZRT-KGLIPLIRSA-N 340.379 1.678 0 40 EDAB biogenic COC(=O)c1cccc(NC(=O)c2nc3nc(C)cc(C)n3n2)c1 6647938 ANSVBKFQMDZDOW-UHFFFAOYSA-N 325.328 1.780 0 40 EDAB CCOc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OCC(=O)O 6892366 SUTDFODCQZJZEB-TVQRCGJNSA-N 327.358 1.337 0 40 EDAB Cc1ccc2[nH]c(SCC(=O)N3CCC[C@@H](C(N)=O)C3)nc2c1 8065524 XXUXTZTYRAERKN-LLVKDONJSA-N 332.429 1.687 0 40 EDAB Cc1cc(C)n(CCOC(=O)Cn2cnc3c(C)cccc3c2=O)n1 52765688 FVWYMHCJYGUJMZ-UHFFFAOYSA-N 340.383 1.762 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1C 33212695 DFJMNSTVGLZMCD-INIZCTEOSA-N 326.400 1.921 0 40 EDAB CC[C@H](NC(=O)C(=O)Nc1c(C)ccn(C)c1=O)c1nc(C)cs1 91221354 JHPCOQRGQZZLBL-NSHDSACASA-N 348.428 1.665 0 40 EDAB NC(=O)CN1CCC(NC(=O)Cn2ccc3ccc(Cl)cc32)CC1 53029008 VPEMEULIHKUAOG-UHFFFAOYSA-N 348.834 1.361 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccnn1-c1cccc(Cl)c1 103103585 MPMYCXIBWSALNO-UHFFFAOYSA-N 345.746 1.014 0 40 EDAB CCc1nnsc1C(=O)NC1CCN(C(=O)c2ccncc2)CC1 53351638 XONDMJHJMYUPGU-UHFFFAOYSA-N 345.428 1.530 0 40 EDAB CCn1c(S)nc2cc(C(=O)NC[C@H]3CCCOC3)ccc2c1=O 103469626 YGYHATUZCKNVTI-LLVKDONJSA-N 347.440 1.862 0 40 EDAB CCn1ncc(CNC(=O)Cn2nnc(-c3ccccc3)n2)c1C 2787902 HWGXOGJXMYKZEC-UHFFFAOYSA-N 325.376 1.181 0 40 EDAB C[C@@H](OC(=O)c1ccc2nc(N)sc2c1)C(=O)N1CCOCC1 46804408 XXQNONHCSNCOAI-SECBINFHSA-N 335.385 1.283 0 40 EDAB CCOC(=O)CS[C@@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 100855622 YHYJHDDZHSKJFY-LLVKDONJSA-N 337.353 1.313 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCN(Cc3csc(C)n3)CC2)n1 42360167 ZWAWKCVQOIIJAL-UHFFFAOYSA-N 333.461 1.609 0 40 EDAB CCn1cc(Cl)c(CN(C)S(=O)(=O)c2cnn(C)c2C)n1 2803463 XUMPZTQADFMNKP-UHFFFAOYSA-N 331.829 1.419 0 40 EDAB O=C(NCCNc1ccccn1)Nc1cccnc1N1CCOCC1 54480981 HJDWCXLWOSCWDW-UHFFFAOYSA-N 342.403 1.547 0 40 EDAB CNC(=O)C1CCN(CC(=O)N(Cc2ccccc2)C(C)C)CC1 12334533 WLQGVROUXQNVFH-UHFFFAOYSA-N 331.460 1.882 0 40 EDAB c1cncc(-c2noc(CN3CCN(c4nccs4)CC3)n2)c1 54635527 HASSODLJLUKXDR-UHFFFAOYSA-N 328.401 1.910 0 40 EDAB O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1ccncc1 42753119 HFDRYLNNOWRUHQ-KBPBESRZSA-N 340.470 1.665 0 40 EDAB CC(=O)N1CCCN(C(=O)CCc2c(C)nc3ccnn3c2C)CC1 55094076 WVNDGRCUOQITMX-UHFFFAOYSA-N 343.431 1.360 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)C1CCN(C(C)=O)CC1)CC2 8132422 KZKMFZHRQLNOGT-UHFFFAOYSA-N 346.427 1.847 0 40 EDAB CCn1nc(C)c2ncnc(N3CCN(C(=O)c4ccco4)CC3)c21 57312412 GRVZWOYPZWJPPS-UHFFFAOYSA-N 340.387 1.710 0 40 EDAB O=C(O)CCn1c(/C=C/c2csnn2)nc2ccccc2c1=O 44026641 CSHZXHKLWVSNSW-AATRIKPKSA-N 328.353 1.893 0 40 EDAB C[C@@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)C(=O)N1CCCCC1 57226534 FOXBUPSSMCEMNF-CYBMUJFWSA-N 341.411 1.588 0 40 EDAB O=C(Cc1cccs1)NC[C@]1(N2CCOCC2)CCSC1 57209729 GAMATVQDFDTYEG-OAHLLOKOSA-N 326.487 1.615 0 40 EDAB Cc1ccccc1CN1CCCN(S(=O)(=O)[C@H]2CCOC2)CC1 108082397 HDLPAOALIPJZAE-KRWDZBQOSA-N 338.473 1.621 0 40 EDAB CCCCn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O 57427116 YZXSGVAJXJIKBK-UHFFFAOYSA-N 335.429 1.647 0 40 EDAB COc1cc(/C=C2/SC(=O)N(CCN)C2=O)cc(OC)c1OC 3215161 XQYKSNBUAJLARQ-XYOKQWHBSA-N 338.385 1.707 0 40 EDAB Cn1cnn(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1=S 26643403 LBQYRTMZPIONSF-UHFFFAOYSA-N 335.408 1.506 0 40 EDAB COC(=O)c1cc(Br)c(=O)n([C@H]2CCCCNC2=O)c1 1812843 IVIPUBRVLKJMMA-JTQLQIEISA-N 343.177 1.239 0 40 EDAB biogenic CCCn1nc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)ccc1=O 27591205 SKUQTFADOCCJDD-MRXNPFEDSA-N 346.406 1.825 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)c1nccnc1N)N1CCCC1 27572331 ZFDBHIMCGUWLLV-CQSZACIVSA-N 341.415 1.634 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)NC[C@@H](O)c1ccc(F)cc1 44966683 YMZLWIIPRKNFIT-CQSZACIVSA-N 347.394 1.676 0 40 EDAB CN(C)[C@@H](CNC(=O)c1cccc(N2CCNC2=O)c1)c1ccco1 44936639 NJMJXHWNDMNDQE-HNNXBMFYSA-N 342.399 1.842 0 40 EDAB CCN1C[C@H](C(=O)NCc2ccnc(-n3ccnc3C)c2)CC1=O 44942237 HGMJOBLEWSNXCZ-CQSZACIVSA-N 327.388 1.060 0 40 EDAB O=C(NCc1cccnc1)c1cnc2sc3c(n2c1=O)CCCC3 10327278 CHEPMXQYZHRHDO-UHFFFAOYSA-N 340.408 1.960 0 40 EDAB CCc1ccc(CN(CCS(=O)(=O)CCC(N)=O)C2CC2)cc1 58331233 XHIWMXQKZPYQEI-UHFFFAOYSA-N 338.473 1.504 0 40 EDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO[C@@H]1CCCCO1 58416149 MVMVNRMWHJLXNR-DLBZAZTESA-N 345.399 1.790 0 40 EDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)C=C[C@H]2O1 408727169 DQTNEDSPODDDHR-ATNYBXOESA-N 327.336 1.731 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CN1C(=O)CCC1=O 24454351 RBIKMJQUKBDRGL-NSHDSACASA-N 342.351 1.740 0 40 EDAB CSCCC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 12788838 PFBSCQOGYHXPLT-UHFFFAOYSA-N 342.486 1.709 0 40 EDAB O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1cccc(F)c1 45684931 UEUYIRSBURPPAU-MRXNPFEDSA-N 349.406 1.478 0 40 EDAB COc1ccc(C(=O)N2CCCC[C@@H]2C(N)=O)cc1Br 37977044 AHGZAOJSLJPXMQ-LLVKDONJSA-N 341.205 1.938 0 40 EDAB CCCC(=O)NC1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 48313865 GFTLYOZFBSJZBX-UHFFFAOYSA-N 348.472 1.945 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)CCc2c(C)nc(C)[nH]c2=O)c1 70006656 GJQZVOKUVIYJIN-OAHLLOKOSA-N 343.431 1.515 0 40 EDAB Cc1ccccc1[C@H](CC(=O)NCCNc1cnccn1)NC(N)=O 69328542 LUNKPPOVMDREFF-AWEZNQCLSA-N 342.403 1.113 0 40 EDAB CN(C)C(=O)COC(=O)c1nccnc1-c1nc2ccccc2s1 13000734 YZDKSCJGVNYRCV-UHFFFAOYSA-N 342.380 1.998 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)Nc2cnn(CCN(C)C)c2)cc1 69435967 QXILXSOVPNAKQE-RMKNXTFCSA-N 341.415 1.456 0 40 EDAB O=C(CCOCC(F)(F)F)NCC(=O)N1CCc2ccccc21 69451307 DKEADXJJUMXNCH-UHFFFAOYSA-N 330.306 1.661 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2CCCC[C@@H]2C2OCCO2)c1 69489920 ZTGSKIMWVKEYOG-OAHLLOKOSA-N 348.399 1.639 0 40 EDAB O=C(COc1ccccc1F)NCCCNC(=O)c1cccc(O)c1 69454921 ZOKZLDPMXCXHKO-UHFFFAOYSA-N 346.358 1.846 0 40 EDAB CO[C@H](C)C(=O)N(CC(N)=O)Cc1ccc(Br)cc1 49116719 XNMPLRZMDHDGLH-SECBINFHSA-N 329.194 1.298 0 40 EDAB COCC(=O)NCCCCCc1nc(-c2ccc(O)c(OC)c2)no1 69598690 NQNACRYDGYALKZ-UHFFFAOYSA-N 349.387 1.926 0 40 EDAB COc1cccc([C@@H](O)C(=O)OCc2cc(=O)n3ccccc3n2)c1 69917333 JZQSPWCSHPZHIJ-QGZVFWFLSA-N 340.335 1.480 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)N[C@]1(O)C(F)(F)F 4264444 GDGRQDVRZXBEGA-OPQQBVKSSA-N 332.278 1.471 0 40 EDAB COc1ccnc(N[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 69600299 HUCKLSUHGQHMEL-LBPRGKRZSA-N 330.392 1.822 0 40 EDAB CC1CCN([C@H](CNC(=O)N[C@@H](C)c2nncn2C)C(C)C)CC1 65390751 FHUUZYGAYSCVLI-LSDHHAIUSA-N 336.484 1.932 0 40 EDAB O=C(COC(=O)c1ccco1)Nc1ccc(CN2CCOCC2)cc1 14157829 MPFPEJPLQYFWQW-UHFFFAOYSA-N 344.367 1.907 0 40 EDAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccc(C(N)=O)cc1 6543582 MZDMUGXITXXGLU-MRXNPFEDSA-N 326.400 1.900 0 40 EDAB Cc1ccc(OCC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 66486384 CANMADKHOZVFDS-KRWDZBQOSA-N 346.427 1.614 0 40 EDAB C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1nnc2n1CCC2 66966139 HSWNKUYWJTZCOX-SNVBAGLBSA-N 334.401 1.119 0 40 EDAB O=C(NC[C@@H](O)COc1ccc(F)cc1)c1cnc2ccccc2n1 67147142 YWLJSTVOGCPUGG-CYBMUJFWSA-N 341.342 1.939 0 40 EDAB COc1ccsc1S(=O)(=O)N[C@@H]1CCc2nc(C)cn2C1 90168007 RKUVQDHTKSDNIU-SNVBAGLBSA-N 327.431 1.555 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)NC(C)(C)C 7600244 JCSLBKKRABZFLE-UHFFFAOYSA-N 331.372 1.952 0 40 EDAB O=S1(=O)CCN2C(=N1)N=CN=C2Nc1cccc(C(F)(F)F)c1 7718602 MDNRTHMRVCYUCN-UHFFFAOYSA-N 345.306 1.517 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccco2)n1 9836445 YXDSZHDZDZDQHK-UHFFFAOYSA-N 338.341 1.637 0 40 EDAB C[C@H]1CN(C)CCN1CC(=O)NCc1cc(Br)cs1 89939060 ZNJJQCNNOQBBKT-JTQLQIEISA-N 346.294 1.763 0 40 EDAB COc1cc(C(=O)N2CCNC(=O)C2)ccc1OCc1ccccc1 9452633 DPXLPOZLUFODIP-UHFFFAOYSA-N 340.379 1.846 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cn(-c3ccccc3)nc2C)C1 97051737 VRUWTKKNAACYGH-KRWDZBQOSA-N 348.472 1.694 0 40 EDAB CC(C)(C)NCCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 71794506 DGDLFOPKMKVINE-MRXNPFEDSA-N 331.460 1.582 0 40 EDAB Cc1cc(NC(=O)C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)ccc1F 71799735 KRXAWCOZVYPZNF-STQMWFEESA-N 337.395 1.298 0 40 EDAB CNC(=O)c1cc(C)ccc1N[C@@H]1CCN(CC(F)(F)F)C1=O 97013068 JFSPUKXPVZWXCC-GFCCVEGCSA-N 329.322 1.930 0 40 EDAB CN(C)c1ccc(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)nn1 96406366 HTCDMOISTYPMQO-CQSZACIVSA-N 349.385 1.854 0 40 EDAB CC(C)NC(=O)CCN1CCN(Cc2nc3ccccc3[nH]2)CC1 96490485 ODYBZNJPNLHWSG-UHFFFAOYSA-N 329.448 1.595 0 40 EDAB CCn1c(=O)n(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c2ccccc21 71825091 DBCQHVFMDUCJEX-RBSFLKMASA-N 333.432 1.293 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@H](C)CCN(C)C 71841869 IQMJWQQKFOPKJF-GFCCVEGCSA-N 327.450 1.860 0 40 EDAB O=C(c1sccc1-n1cnnn1)N1CCC[C@H](N2CCCC2)C1 71886429 MQLQXQQLRQNJJV-LBPRGKRZSA-N 332.433 1.424 0 40 EDAB Cc1noc([C@@H](C)NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)n1 71883674 SDCDKJDMXHSAPV-MRVPVSSYSA-N 344.371 1.712 0 40 EDAB O=C([C@@H]1CCCN1C(=O)c1ccnc(Cl)c1)N1CCSCC1 71898270 POBXEIVHPJCNIE-LBPRGKRZSA-N 339.848 1.915 0 40 EDAB CC(C)(C)NC(=O)[C@@H]1CCCCN1CC(=O)Nc1nncs1 71900575 LHCLKMXJPUXFHN-JTQLQIEISA-N 325.438 1.246 0 40 EDAB Cc1nc2ncnn2c(NCc2ccccc2Cn2cncn2)c1C 71920840 GTQGAPQGPADKJN-UHFFFAOYSA-N 334.387 1.993 0 40 EDAB O=C(NC1CCC(C(=O)N2CCSCC2)CC1)N1CCCC1 72078688 PBBDVTPSJMVCPR-UHFFFAOYSA-N 325.478 1.926 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CC(=O)NCCC3=CCCCC3)CCO2)n1 72300107 YHYDQNDCWODLTG-HNNXBMFYSA-N 333.436 1.493 0 40 EDAB CN(C)S(=O)(=O)CCCN1CCC[C@H]1c1noc(C2CC2)n1 76047650 DHXNGKOLWHPOSW-LBPRGKRZSA-N 328.438 1.365 0 40 EDAB Cc1nc(C(=O)N[C@H](C)C(=O)NCc2ccccc2)c2n1CCCC2 76094901 NROATNUSFWSUOI-CYBMUJFWSA-N 340.427 1.963 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccnc(N(C)C)c3)CCO2)n1 76045833 FZHURHXKCCNLAT-ZDUSSCGKSA-N 344.419 1.432 0 40 EDAB NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 76421411 ZIRRQVVJMYIZET-CYBMUJFWSA-N 347.440 1.485 0 40 EDAB C[C@@H](c1nc(C2CC2)no1)N1CCO[C@H](CN(C)c2cccnn2)C1 84667642 UQYQUTZGXWRRQY-GXTWGEPZSA-N 344.419 1.635 0 40 EDAB CCCCS(=O)(=O)N[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 84746775 LVVOFJITPRNMSI-LLVKDONJSA-N 341.433 1.692 0 40 EDAB Cn1ccnc1C[C@H]1CCCN(C(=O)NCCOc2cccnc2)C1 95424685 MQGHFUPMOIKBFX-OAHLLOKOSA-N 343.431 1.858 0 40 EDAB O=c1[nH]c2ccccc2c(=O)n1CC[S@@](=O)Cc1ccccc1 95434990 JLVKCLDBDZLMGS-QHCPKHFHSA-N 328.393 1.639 0 40 EDAB C[C@@H](NC(=O)NCCc1nnc2n1CCC2)[C@H]1COc2ccccc21 95438153 BOBAILFWPKILJS-TZMCWYRMSA-N 341.415 1.631 0 40 EDAB CC(=O)Nc1cccc(OCCNC(=O)N[C@H](C)[C@H]2CCCO2)c1 78446767 WFGWIGXQDJLXPT-MLGOLLRUSA-N 335.404 1.891 0 40 EDAB COC[C@@H](C)NC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C 78876919 SUWAMRGDZDIMEZ-CHWSQXEVSA-N 330.425 1.554 0 40 EDAB COc1ccc(CCC(=O)N(C)C[C@H](C)c2nnn[nH]2)cc1OC 95939706 QSOKRGYCFLZHPK-NSHDSACASA-N 333.392 1.412 0 40 EDAB C[C@@H](NCC(=O)NC(=O)Nc1ccccc1)c1nnc2n1CCCC2 95941236 GBDKHOTUXFOLBC-GFCCVEGCSA-N 342.403 1.613 0 40 EDAB O=C(NCc1nnc2ccccn12)c1cc(OCC(F)F)ccn1 95993829 MLBRNLJVANYMDT-UHFFFAOYSA-N 333.298 1.698 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 95943248 GRZGMLQVWPFXCG-KBMXLJTQSA-N 329.404 1.886 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 95971095 RNJJOCYRQJWPHV-KRWDZBQOSA-N 329.444 1.464 0 40 EDAB CCCN1CCO[C@@]2(CCCC[C@H]2NS(=O)(=O)CC(C)C)C1 306142357 WWXFFBPBTSBTDP-CVEARBPZSA-N 332.510 1.985 0 40 EDAB COc1ccc(OC)c(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)c1 75148242 XPJQSMCGDKEAMK-LBPRGKRZSA-N 349.456 1.953 0 40 EDAB Cc1cc(CNC(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)no1 75123632 XGNNURXALZLZOI-UHFFFAOYSA-N 339.355 1.296 0 40 EDAB CCCOc1ccc(CNC(=O)NC2CCC(C(=O)NC)CC2)cn1 75134379 WYXVIHOTJSLEJS-UHFFFAOYSA-N 348.447 1.974 0 40 EDAB O=C(NCCCn1ccnc1)N[C@H]1CCN(c2ncccc2F)C1 89773219 PDHNHYNUEUNXGY-ZDUSSCGKSA-N 332.383 1.385 0 40 EDAB Cn1cnc(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)cc1=O 1548442410 CQVLCYFUYNZTBD-JTQLQIEISA-N 339.804 1.709 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)c(F)cc1F 547554507 PEWLXNKPBSUKMM-BXKDBHETSA-N 349.355 1.431 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)O)c(F)c1 548528659 BLCWNIGYRJQUHN-CMPLNLGQSA-N 331.365 1.292 0 40 EDAB O=C(O)CN1C(=O)N/C(=C/c2ccc(Br)s2)C1=O 408593001 LMTQLNDLXOXFMG-ZZXKWVIFSA-N 331.147 1.488 0 40 EDAB O=C(O)CN(C(=O)c1cc(-c2cccnc2)on1)C1CCOCC1 532005105 PMMYKPMTVLVBEZ-UHFFFAOYSA-N 331.328 1.442 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)NCc2ccco2)s1 152489162 OSQZSGDTBXNBIH-UHFFFAOYSA-N 343.430 1.427 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2[C@H](C(=O)O)C2(C)C)CC1 34926395 DGSOJHKMFRSUOX-GHMZBOCLSA-N 326.393 1.423 0 40 EDAB CNS(=O)(=O)c1ccc(-c2nc(-c3cccc(OC)c3)no2)o1 36365731 KMRNCLBPUIXSCM-UHFFFAOYSA-N 335.341 1.913 0 40 EDAB CC(C)Oc1ccc(C(N)=O)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C 71284443 SENCEWCDCIBMQU-STQMWFEESA-N 334.372 1.868 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)c(Br)c1 37396745 QJZCNQFSOAABMZ-JTQLQIEISA-N 347.234 1.396 0 40 EDAB c1cc(CN2CCCC3(CC2)OCCO3)nc(N2CCOCC2)n1 72348191 RBDVVBSYYIPVAT-UHFFFAOYSA-N 334.420 1.042 0 40 EDAB CNC(=O)CCc1cc(C2CCN(c3ncccn3)CC2)nc(C)n1 72367015 XGCYAPVFRPZFSQ-UHFFFAOYSA-N 340.431 1.638 0 40 EDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C1(CN)CN 218203548 ABGLCWRBJCVMQR-NEPJUHHUSA-N 347.278 1.253 0 40 EDAB C[C@@H](C(=O)NCCc1csc(-c2ccccc2)n1)S(C)(=O)=O 84839832 FWFCRJNDDBPIAU-NSHDSACASA-N 338.454 1.902 0 40 EDAB Cc1ccccc1N1CCN(C(=O)NCCc2cnn(C)c2)CC1 46994525 SMHYKPSOANPQTK-UHFFFAOYSA-N 327.432 1.803 0 40 EDAB COCCOc1ccc(CNC(=O)[C@@H]2CCc3[nH]cnc3C2)cn1 225513569 KUTPTHBWAOWYQP-CYBMUJFWSA-N 330.388 1.251 0 40 EDAB COCCN(CC(=O)N(C)C)C(=O)c1nc(-c2ccccc2)oc1C 41576312 CLYSPSSEWKLRJW-UHFFFAOYSA-N 345.399 1.827 0 40 EDAB CN([C@@H](C(=O)NCc1ccccc1)c1ccccc1)S(C)(=O)=O 223142627 VVNXYWPXGVGKDJ-MRXNPFEDSA-N 332.425 1.936 0 40 EDAB Cc1nc(Br)sc1S(=O)(=O)NC[C@H]1CCCO1 225769202 WUUKWBCEDQZVEV-SSDOTTSWSA-N 341.252 1.671 0 40 EDAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC(O)=NC1=O 43919222 DOJMRHLKNMEXFE-QXEWZRGKSA-N 328.365 1.724 0 40 EDAB Cc1ncccc1C(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 225506842 VGRDDLMFCBFEBH-CQSZACIVSA-N 341.415 1.930 0 40 EDAB O=S(=O)(c1ccccc1)[C@H]1[C@@H](CO)[C@@H]1c1ccc2c(c1)OCO2 225640614 PUJQSHGXDNSRJO-JQFCIGGWSA-N 332.377 1.964 0 40 EDAB Cc1occc1C(=O)N1CC[C@@H]2[C@@H](CO[C@H]2CNc2ncccn2)C1 96185377 UIGOOMUQLDUGEC-BMFZPTHFSA-N 342.399 1.967 0 40 EDAB CC1(C)COCCN1C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 96443105 ZAHWWIFKHMUVOE-QGZVFWFLSA-N 332.444 1.915 0 40 EDAB CC(C)(C)OC(=O)N1CCC(CN2CCN(CCO)CC2)CC1 96403155 KCAHGFZVNNXBNK-UHFFFAOYSA-N 327.469 1.243 0 40 EDAB COCCO[C@H]1CCN(c2ccc(C)nn2)[C@H]1Cc1cnn(C)c1 96200649 AXWYEIIBYSHWGH-HOTGVXAUSA-N 331.420 1.372 0 40 EDAB CC(C)C(=O)N1CCN(C(=O)c2ccco2)C[C@]2(CCCC(=O)N2)C1 96238357 WYSOKTVSVIEJDD-SFHVURJKSA-N 347.415 1.259 0 40 EDAB CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)NCC(C)C 96113004 AAZLMVZEEXYOFF-DLBZAZTESA-N 347.459 1.719 0 40 EDAB biogenic,in-vitro CCn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(C)cc2)cn1 96181429 NCFCKNFHLXEZQX-IRXDYDNUSA-N 342.399 1.748 0 40 EDAB O=C(NCc1cn2c(n1)CN(Cc1nccs1)CC2)C1CCC1 96197429 BYOWYNHFVGSPQO-UHFFFAOYSA-N 331.445 1.772 0 40 EDAB C[C@H](NS(=O)(=O)N1CCC[C@@H](C(=O)O)C1)c1cccc(F)c1F 582357782 OORXVVCFYPSLJG-VHSXEESVSA-N 348.371 1.657 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)cc1 583651200 GWDPFYQYCIKEEG-HOCLYGCPSA-N 335.429 1.927 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(CCOCc1ccccc1)C2)C1CC1 96206072 WJJPEFCBDORMRH-QUCCMNQESA-N 344.455 1.678 0 40 EDAB Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N=c1cc[nH]c2ccncc12 583620212 ZEEXSUWGNXHVPK-SJKOYZFVSA-N 337.383 1.892 0 40 EDAB COCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2 96064833 NRICJHJUHOIYGS-IEBWSBKVSA-N 348.443 1.439 0 40 EDAB Cc1oncc1C(=O)N1CC[C@H]2[C@H](CO[C@H]2CNc2ncccn2)C1 96187346 OVZNFRJZMAKABB-YDHLFZDLSA-N 343.387 1.362 0 40 EDAB Cc1nnc(N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)s1 91456167 HXIXPXBLDMDSLK-UHFFFAOYSA-N 339.509 1.767 0 40 EDAB CN(C)Cc1cnc2n1CCN(C(=O)NCc1ccccc1)CC2 96196815 QINFGULJOJMWOU-UHFFFAOYSA-N 327.432 1.713 0 40 EDAB COCC(=O)N1C[C@@H]2COC[C@]2(COCc2csc(C)n2)C1 96108923 JPZWEAXYNSJJMQ-DOMZBBRYSA-N 326.418 1.090 0 40 EDAB O=C(CCn1ccccc1=O)N1CCN(c2cc(Cl)ncn2)CC1 96449812 OXIGWMWSTDTFEZ-UHFFFAOYSA-N 347.806 1.031 0 40 EDAB Cn1cnn(CC(=O)N(Cc2ccncc2)CC2CCCCC2)c1=O 97233578 QMHKVAKYXRAXEW-UHFFFAOYSA-N 343.431 1.586 0 40 EDAB CNc1cnc(C(=O)NCc2nc(Cc3ccccc3F)no2)cn1 1595549843 KOYHVEIANUORQE-UHFFFAOYSA-N 342.334 1.561 0 40 EDAB CCc1cnc(CNC(=O)N[C@H](C)C(=O)NCc2ccco2)s1 96439680 DAZJQXPBTQLZDU-SNVBAGLBSA-N 336.417 1.803 0 40 EDAB O=C1CCCN1Cc1ncn2c1CN(C(=O)N1CCCC1)CCC2 96259408 GGUZZPODMKYBMS-UHFFFAOYSA-N 331.420 1.427 0 40 EDAB COc1ccc(S(=O)(=O)NCCc2cnn(C)c2C)c(C)c1F 96501608 IRRXVOZWJCVZKR-UHFFFAOYSA-N 341.408 1.706 0 40 EDAB Cc1cnc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccnc2)cn1 96063874 CSDWEBAINPCZJC-CVEARBPZSA-N 337.383 1.196 0 40 EDAB CN(CCN1CCCC1=O)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 96451287 XPBFVWSUNYFETR-UHFFFAOYSA-N 339.395 1.940 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O 245333745 AFBWSRMGNGDPQF-SDDRHHMPSA-N 327.425 1.402 0 40 EDAB CN(C)CCN1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)CC1=O 245338644 NLPZMWZSOHXYSO-UPJWGTAASA-N 349.397 1.634 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)[C@H]3C[C@H]3c3cccnc3)CC2)S1 245289789 FEDAZIDKLDNUBQ-SNPRPXQTSA-N 330.457 1.821 0 40 EDAB CO[C@H]1C[C@@H](C(N)=O)N(c2ccc([S@](=O)C(F)(F)F)cc2)C1 585092993 XRHKAISYWGRODM-RZPDLZAOSA-N 336.335 1.393 0 40 EDAB CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1nccs1 585122321 WZRHPKPCEUXIJH-NSHDSACASA-N 340.449 1.310 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCCN23)C1 585122265 UIMKDSWVAMSXRW-ZACQAIPSSA-N 333.476 1.768 0 40 EDAB Cc1nccc([C@@H]2CCCN(C(=O)CN3CCN(C(C)C)CC3)C2)n1 257335628 YLCWOUJFASUYTQ-QGZVFWFLSA-N 345.491 1.517 0 40 EDAB CCc1nccn1CCC(=O)N1CCO[C@@H](c2ccnc(C)n2)C1 257298310 RLDSEPYWYBBBRJ-OAHLLOKOSA-N 329.404 1.534 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@H](c2nccnc2N(C)C)C1 257271202 MXHMWBXVTLBXDJ-CQSZACIVSA-N 344.419 1.025 0 40 EDAB CCN(CC)S(=O)(=O)N1CCOC[C@@H]1CCc1nccnc1C 257287691 PRCUAFRYTZDWRQ-AWEZNQCLSA-N 342.465 1.005 0 40 EDAB Cc1cc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)on1 257269204 MPAAKBSMICNSAJ-MRXNPFEDSA-N 330.388 1.966 0 40 EDAB O=C(CCc1cccnc1)NC[C@@]1(O)CCCN(c2ccccn2)C1 257307970 TUXQEGJKNXXYNO-IBGZPJMESA-N 340.427 1.557 0 40 EDAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)Cc1ccsc1 257207283 BHBWGMFYSRCUAL-QGZVFWFLSA-N 346.456 1.571 0 40 EDAB Cc1cnn(CC(=O)N2CCCC[C@H]2c2cc(O)n3ccnc3n2)c1 257253253 JYDQOARMQFSCRK-AWEZNQCLSA-N 340.387 1.694 0 40 EDAB Cc1nc(CC(=O)N2CCOC[C@H]2CCc2nccnc2C)cs1 257207517 BICRFBPOSIQIGG-OAHLLOKOSA-N 346.456 1.953 0 40 EDAB Cn1ccnc1C(=O)N1C[C@H]2CCC[C@H](Cc3ncccn3)[C@H]2C1 257306375 SUBHYJZJKZRSLM-RBSFLKMASA-N 325.416 1.941 0 40 EDAB O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCC[C@H]1c1ccn[nH]1 278537733 FPLBEQMZWWVBRJ-ZFWWWQNUSA-N 328.372 1.950 0 40 EDAB COC1CCC(C)(CNC(=O)CN2CCCC[C@H](O)C2=O)CC1 606444399 VJPJEOUOGQEJPA-UUCFBXCCSA-N 326.437 1.071 0 40 EDAB CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCCC[C@@H]2C(F)F)c1 1615037034 YWOCZCXZEYMHSA-LLVKDONJSA-N 348.371 1.841 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnn2c1OCCC2 90627143 NGJGXXXXRCBNDJ-AWEZNQCLSA-N 329.356 1.180 0 40 EDAB CC(=O)N[C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@H]1c1nccn1C 1615546774 HSWHQQNASIIAGM-HUUCEWRRSA-N 342.399 1.246 0 40 EDAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCC(N)=O 42927467 UOGRNHZMVLYECQ-VIFPVBQESA-N 329.194 1.598 0 40 EDAB Cn1ccnc1[C@H](NC(=O)c1ccc(C(=O)O)nc1)C1CCOCC1 671626935 WYUUBQOIOUNJLV-CQSZACIVSA-N 344.371 1.411 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)c(Cl)c1 58282376 CCLVVSZEAAMOKV-SKDRFNHKSA-N 347.820 1.972 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@@H](n2ccnc2)C1 69667135 DLISYOREVSNMCQ-CYBMUJFWSA-N 337.383 1.526 0 40 EDAB CCc1nc([C@H]2CCCN2[C@@H]2CCN(CC(F)(F)F)C2=O)no1 72277661 GSYSRQDLWAUDNS-NXEZZACHSA-N 332.326 1.932 0 40 EDAB CCn1c(Cn2cnc3c(cnn3C)c2=O)nc2cc(F)ccc21 72296507 BKTGNWROQUHWFX-UHFFFAOYSA-N 326.335 1.687 0 40 EDAB COCc1ccnc(NC(=O)[C@]2(N)CCc3c(OC)cccc32)c1 1579093789 LXKIJUJKCLVPRH-SFHVURJKSA-N 327.384 1.976 0 40 EDAB CCS(=O)(=O)NC[C@H](Cc1cccc(F)c1)N1CCCC1=O 85467483 BYCIOGLLIYRZHH-AWEZNQCLSA-N 328.409 1.299 0 40 EDAB CC(C)n1ccc(CNC(=O)N2CCCC[C@H]2CS(C)(=O)=O)n1 568035470 QQMWWQONGASNDG-AWEZNQCLSA-N 342.465 1.573 0 40 EDAB Nc1ncnc2c1ncn2C[C@H]1CC[C@@H](C(=O)N(C2CC2)C2CC2)O1 1614994653 BFXZRQJJFLNRRQ-OLZOCXBDSA-N 342.403 1.110 0 40 EDAB Cc1cc(C)c2c(c1)cc(C(=O)N(C)C[C@@H]1COC[C@@H](O)[C@H]1O)n2C 1615150043 UZFBBFJNDVUNCQ-KYJSFNMBSA-N 346.427 1.235 0 40 EDAB CCn1ccnc1N1CCN(C(=O)COc2ccccc2F)CC1 12444593 DCZVUXFVZIASPP-UHFFFAOYSA-N 332.379 1.770 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCO1)n1nc(-c2cccs2)cc(N)c1=O 19080047 IVXHGODDSVCAEM-GHMZBOCLSA-N 348.428 1.410 0 40 EDAB O=C(Cc1ccc(O)cc1)N1CCc2nc3ccccc3c(=O)n2CC1 19375963 DFWASKVYDKCVHR-UHFFFAOYSA-N 349.390 1.730 0 40 EDAB CC(=O)N[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C2(CCNCC2)C1 19704058 YATIVKDSLZUFTF-INIZCTEOSA-N 344.459 1.225 0 40 EDAB CCn1c(CN2CC[C@@]3(NC(C)=O)CNC[C@H]3C2)nc2ccccc21 19713077 LJPQFCDAVPSGJA-HNAYVOBHSA-N 341.459 1.356 0 40 EDAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)C1 19815269 UCIQSIOPSQOSMU-GDBMZVCRSA-N 344.411 1.902 0 40 EDAB NC(=O)COc1ccccc1C(=O)N1CCO[C@H](c2cccs2)C1 161871586 QTCGOWRTYGBTIV-AWEZNQCLSA-N 346.408 1.826 0 40 EDAB Cc1cnccc1CCNC(=O)N1CCC[C@@H]1CN1CCOCC1 163874029 ZTXGRCOKOYHYAF-QGZVFWFLSA-N 332.448 1.439 0 40 EDAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)N1CCN(Cc2cccnc2)CC1 585149845 UUABGSVBPNBVPG-CVEARBPZSA-N 344.459 1.134 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)NC[C@@H](C)N3CCOCC3)c12 29961084 GULCWZVUDMXODL-LLVKDONJSA-N 344.415 1.859 0 40 EDAB CC[C@@H](C(=O)N1CCN(c2ncc(F)cn2)C(=O)C1)c1ccccc1 1775985960 LAWWTTPOOZXVDY-OAHLLOKOSA-N 342.374 1.985 0 40 EDAB COc1cccc(CC(=O)NCc2nc(-c3cccnc3O)no2)c1 238819804 CJFXWEPPHLMDJN-UHFFFAOYSA-N 340.339 1.705 0 40 EDAB COCCC(=O)N1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037983705 CTNVCMDJYNJYBZ-IBGZPJMESA-N 346.427 1.838 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 10220559 JVEGTYXMSOHRSE-CYBMUJFWSA-N 327.402 1.659 0 40 EDAB Cn1nccc1-c1nnc(NC(=O)/C=C\c2ccc3c(c2)OCO3)o1 23128121 MDOBQGIJVZPHNS-HYXAFXHYSA-N 339.311 1.851 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@H]2CS3)c(C)c1 575616537 PBUPSTOFHOOPQT-QWHCGFSZSA-N 326.443 1.832 0 40 EDAB C[C@@H](NC(=O)C(=O)NC[C@@](C)(O)Cc1ccco1)c1ccccc1 206620708 XRCZQUYAGOVNGF-ACJLOTCBSA-N 330.384 1.567 0 40 EDAB O=C(COc1ccccc1)N1CCN(C[C@H](O)c2ccco2)CC1 85436745 KFKIWWYNIHIRFQ-INIZCTEOSA-N 330.384 1.536 0 40 EDAB COc1ccc(C(=O)NC2CCS(=O)(=O)CC2)c(OC)c1OC 40135049 NGYLAEAUNYSAAH-UHFFFAOYSA-N 343.401 1.019 0 40 EDAB COC(=O)[C@@](NNc1ccccc1)(Nc1ncccn1)C(F)(F)F 40266518 XUWGKIVWUGINFR-ZDUSSCGKSA-N 341.293 1.937 0 40 EDAB C[C@@H](C(=O)NCc1ccnc(OCc2ccccc2)c1)S(C)(=O)=O 40540960 NJKRQUONIXHLGD-ZDUSSCGKSA-N 348.424 1.710 0 40 EDAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NC[C@@H](C)N1CCOCC1 40509892 KFIXVEDVUDZKTC-GFCCVEGCSA-N 342.871 1.951 0 40 EDAB C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(F)c(Cl)c1 40540033 XLDUKZQWENWDHW-VHSXEESVSA-N 349.811 1.937 0 40 EDAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 40528472 MIZVQJIXJQIZFU-MRVPVSSYSA-N 333.793 1.161 0 40 EDAB COCCn1nc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)ccc1=O 40534963 ZSEZPWHKFLPWNB-DZGCQCFKSA-N 337.420 1.215 0 40 EDAB CCn1cc(Br)cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 36858243 ZSBGLWXSIHDPFZ-SECBINFHSA-N 335.223 1.187 0 40 EDAB Cc1cc2n(n1)C[C@H](CN[C@@H](C(=O)NC1CCCC1)C(C)C)CN2 69371275 DMMLMOSRPJZKKV-WMLDXEAASA-N 333.480 1.906 0 40 EDAB CN1C[C@@H](C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1=O 32294633 QWHSGLMFQYBWJG-JTQLQIEISA-N 331.294 1.117 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)NC[C@H]2Cc3ccccc3O2)c1 45935883 QIYOKKURAJQILT-MRXNPFEDSA-N 345.420 1.965 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)CN1CCN(CC(=O)N(C)C)CC1 32543028 PECBHLFNCRXGLN-UHFFFAOYSA-N 342.443 1.365 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)Nc3nncs3)C2)n1 69701442 URRLNYYBNVDRKP-GFCCVEGCSA-N 335.437 1.097 0 40 EDAB O=S(=O)(NC[C@H]1CCCO1)c1ccc(CNc2ncccn2)cc1 52386131 PSNOJDIYNXQFHN-CQSZACIVSA-N 348.428 1.546 0 40 EDAB CCCn1c(SCC(=O)NCCCOC)nnc1-c1ccncc1 6948031 XEZUSCCJWOFGNP-UHFFFAOYSA-N 349.460 1.995 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102633896 FBVWOHLIKMFNOP-AZHAFVHUSA-N 349.408 1.860 0 40 EDAB O[C@H]1C[C@](CNCc2ccc(F)cc2)(COc2cccnc2)C[C@H]1O 107283833 UOAPMVUARVXONE-REPLKXPHSA-N 346.402 1.891 0 40 EDAB biogenic,in-vitro COc1ccccc1CN1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 102760416 BKMHUUBXIWDSNK-KRWDZBQOSA-N 345.443 1.350 0 40 EDAB CCn1c(=O)n(CCC(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc21 21898135 DIZDIRBDAHZMCW-KBPBESRZSA-N 331.416 1.849 0 40 EDAB COCCOc1cccc(C(=O)NCc2nnc3n2CCCC3)c1 53062440 QQICVXYRUZZOOP-UHFFFAOYSA-N 330.388 1.570 0 40 EDAB Cc1cnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)s1 10627046 WRNYSECQBQMCCW-VIFPVBQESA-N 343.405 1.896 0 40 EDAB C/C(=C\C(=O)N1CCCN(CC(N)=O)CC1)c1ccccc1Cl 103871925 GBUWUZVIBRHJAQ-ACCUITESSA-N 335.835 1.763 0 40 EDAB O=C(NCCCN1CCCC1=O)c1cc(Br)ccc1O 22626048 ZITVDFDXYQLBFU-UHFFFAOYSA-N 341.205 1.897 0 40 EDAB O=C(Nc1ccc(-n2cccn2)c(Cl)c1)C(=O)N1CCC(O)CC1 69444288 HABKMYVKHCABOQ-UHFFFAOYSA-N 348.790 1.448 0 40 EDAB CCC(CC)[C@H](CNC(=O)c1ccc2[nH]nnc2c1)N1CCOCC1 22898738 DPKRZUGWHAWRKQ-KRWDZBQOSA-N 345.447 1.825 0 40 EDAB CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)CC1 69433773 GFCGWTFDEKSVGH-UHFFFAOYSA-N 328.416 1.832 0 40 EDAB Cc1c(C(=O)N2CCC[C@H](C(N)=O)C2)nnn1-c1ccccc1Cl 69483875 NVUQGERFSVEBST-NSHDSACASA-N 347.806 1.567 0 40 EDAB CCOC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)NC1 22991302 OZLLPCCXQRUFAO-UHFFFAOYSA-N 332.385 1.785 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cn1 23463653 DLKJWFDBTHSTME-UHFFFAOYSA-N 337.387 1.029 0 40 EDAB CN1CCC(CCNC(=O)c2ccccc2NS(C)(=O)=O)CC1 102640961 QEMKIOMJKHWQBU-UHFFFAOYSA-N 339.461 1.520 0 40 EDAB COc1c(NC[C@@H](C)N)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 22056108 WMDWMECNQOEVCJ-MRVPVSSYSA-N 349.362 1.941 0 40 EDAB in-vitro CN1CCN(C(=O)c2ccnc(-n3cncn3)c2)[C@H](c2ccccc2)C1 54675760 WRWGZAABUDYUFA-KRWDZBQOSA-N 348.410 1.791 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)cs1 75602709 NXYGECLGNTZUBS-GFCCVEGCSA-N 348.432 1.787 0 40 EDAB CC(=O)Nc1ccc(C)c(S(=O)(=O)NCC[C@@H]2CCCO2)c1 24433435 OPFDRYIENSDSID-AWEZNQCLSA-N 326.418 1.801 0 40 EDAB CC(=O)NCCNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 43141231 XASUOGNAGLIFSI-CQSZACIVSA-N 333.388 1.440 0 40 EDAB COc1cccc(CC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1 24689134 FLCJHBQTSZSQTB-CQSZACIVSA-N 340.445 1.168 0 40 EDAB CC[C@H]1CCCCN1CCNC(=O)N1CCN(Cc2ccon2)CC1 76086872 ZJESWNNMPCNHNZ-KRWDZBQOSA-N 349.479 1.766 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1cccc(C(=O)N(C)C)c1)CC2 76064254 BCLDWGCFJCNHCP-UHFFFAOYSA-N 340.427 1.523 0 40 EDAB CCN1C[C@H](C)[C@H](NS(=O)(=O)c2c(C)nn(C(C)C)c2C)C1 76058410 XBRYVROLBYSJDY-SMDDNHRTSA-N 328.482 1.699 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CCO2)n1 76045459 ZRGBRENKMLGDIF-KFWWJZLASA-N 330.363 1.956 0 40 EDAB CCN(CC)S(=O)(=O)CCNC(=O)c1cc2cccc(F)c2o1 76040742 STJXUIVETJXGQM-UHFFFAOYSA-N 342.392 1.973 0 40 EDAB O=C(NCCCn1ccnc1)c1ccc(CN2CCCC2=O)cc1 22516300 KVJYUDFJFXSKON-UHFFFAOYSA-N 326.400 1.826 0 40 EDAB C[C@@]1(c2ccccn2)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O 78471792 PZTKZXLMOJSLPG-SFHVURJKSA-N 348.366 1.630 0 40 EDAB COc1cc(Cl)c(C)cc1NCC(=O)N[C@H]1CCS(=O)(=O)C1 57585405 SGTKWZZBIOQBCU-JTQLQIEISA-N 346.836 1.372 0 40 EDAB C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1N)c1ccco1 12636713 VNJFTOHFPJGIJR-JTQLQIEISA-N 344.396 1.673 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22025137 XKZLJLRGQKUZQD-OAHLLOKOSA-N 347.459 1.694 0 40 EDAB COc1ccc(CNC(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1OC 58014198 KLAPIPLSUDDIGS-LBPRGKRZSA-N 349.431 1.950 0 40 EDAB COc1ccccc1CNC(=O)[C@@H](C)Sc1nc2ncccn2n1 10077934 DFHIGQXTNZEHNZ-LLVKDONJSA-N 343.412 1.930 0 40 EDAB O=C(Cn1nnc2ccccc21)NCCc1ccc2c(c1)OCCO2 10026337 WBWHRPLJIHTCCK-UHFFFAOYSA-N 338.367 1.561 0 40 EDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(C(N)=O)cc1 27557063 LRZQOHGXQKISFO-LLVKDONJSA-N 345.424 1.384 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)c2cncn2-c2ccccc2)CC1 10270925 JYHBRUIVORVQGE-UHFFFAOYSA-N 348.428 1.026 0 40 EDAB Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)cc1 58265843 FPZFWTOBGISFLA-ZDUSSCGKSA-N 342.486 1.973 0 40 EDAB C[C@H]1c2cccn2CCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 58250959 ODDUNSSFRDSNHI-RYUDHWBXSA-N 328.459 1.312 0 40 EDAB CCN(CC)[C@H](C)CNC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 58291575 GSQGTMOOYXZXFZ-OLZOCXBDSA-N 344.452 1.834 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)c(C)c1 58267044 GUVREKPNSQUTIC-LBPRGKRZSA-N 326.418 1.280 0 40 EDAB CN(Cc1c(F)cccc1Cl)C(=O)CN1CCS(=O)(=O)CC1 44936635 NZDHLVIIGJLLIG-UHFFFAOYSA-N 348.827 1.168 0 40 EDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc(C)n2)cc1 58349790 LMFVNVOSGVNPOG-DHZHZOJOSA-N 331.397 1.950 0 40 EDAB Cc1ccc([C@H](CNC(=O)[C@H](C)S(=O)(=O)C(C)C)N(C)C)cc1 58379955 ACJXCDKCGPSURS-HOCLYGCPSA-N 340.489 1.926 0 40 EDAB CCn1cnnc1CNC(=O)c1cccc(CN2CCCC2=O)c1 48326394 BXWNUEZNWFAKLG-UHFFFAOYSA-N 327.388 1.350 0 40 EDAB CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)OCC)cc2)C1=O 409234101 YXMQOOVJVLTAGC-GXDHUFHOSA-N 332.356 1.931 0 40 EDAB Cc1ccc([C@H](CNc2ccc3nncn3n2)N2CCOCC2)o1 48345648 UVILOEVPVQAMEL-ZDUSSCGKSA-N 328.376 1.511 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccccc1 3463913 IYWRWOIGLACGBJ-HXUWFJFHSA-N 349.390 1.696 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(Cl)cc(Cl)c1N 3520659 YJBGUAKXAIGNOG-ZCFIWIBFSA-N 348.186 1.967 0 40 EDAB CN(Cc1ccccc1)C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 3543803 QMFRXEXGEGPYGV-UHFFFAOYSA-N 343.383 1.378 0 40 EDAB C[C@@H](Sc1nnnn1C1CCOCC1)C(=O)NC1CCCCC1 69594689 VZKIBLXZHXOODC-LLVKDONJSA-N 339.465 1.954 0 40 EDAB CCc1nnc2n1CCN(Cc1csc(-c3ncccn3)n1)C2 69571425 WWNMNBZJAOUNOZ-UHFFFAOYSA-N 327.417 1.770 0 40 EDAB C[C@H](NC(=O)NCC(=O)NCCc1ccccc1)c1ccncc1 69620233 KMFFAHYDMWYNOX-AWEZNQCLSA-N 326.400 1.801 0 40 EDAB CC(C)CS(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 69623575 GXJMNKKXBRIDOJ-MRXNPFEDSA-N 326.462 1.463 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)c3ccccc3OC)CC2)n1 69652428 OUUDRWNNTYQNNT-UHFFFAOYSA-N 342.399 1.765 0 40 EDAB COc1cc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2C)ccc1O 13654388 BNFCRDOWLALXBO-GUYCJALGSA-N 349.408 1.680 0 40 EDAB CCOC(=O)C[C@@]1(O)CSc2nc3sc(C)c(C)c3c(=O)n21 4200636 WJBKLQMNCIGGAI-CQSZACIVSA-N 340.426 1.779 0 40 EDAB CN(C(=O)COC(=O)CNC(=O)c1ccccc1)C1CCCCC1 6116542 WMBCQIGHKADIBZ-UHFFFAOYSA-N 332.400 1.751 0 40 EDAB Cc1ccccc1-c1nnn(CCN2C(=O)c3ccccc3C2=O)n1 5169577 UWMDISVWICJGHW-UHFFFAOYSA-N 333.351 1.945 0 40 EDAB O=C1OCC[C@@H]1Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 5129787 VSBSRVUGFQEBAI-FZMZJTMJSA-N 346.408 1.983 0 40 EDAB CN(C)CCN(CCS(=O)(=O)c1ccccc1)Cc1cccnc1 96007144 MBNAGQFEXYJVAE-UHFFFAOYSA-N 347.484 1.919 0 40 EDAB CC(C)(C)NC(=O)NC(=O)Cn1nnc(-c2ccccc2Cl)n1 6313419 QEDZGFGLYNLROY-UHFFFAOYSA-N 336.783 1.618 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 65451764 WRBJZYTZDGVATK-MRXNPFEDSA-N 342.447 1.934 0 40 EDAB Cc1csc(N2CCN([C@H](C)C(=O)Nc3ncccn3)CC2)n1 65593670 ATTLCIJCNZKYBN-GFCCVEGCSA-N 332.433 1.391 0 40 EDAB COC(=O)Cc1csc(NS(=O)(=O)c2ccc(OC)cc2)n1 8733389 OBTXHYHNSOIABE-UHFFFAOYSA-N 342.398 1.668 0 40 EDAB Cc1ccc(NC(=O)[C@H](C)N2CCN(c3ncccn3)CC2)cc1 14162016 VBRIDLKRXHBXJF-HNNXBMFYSA-N 325.416 1.934 0 40 EDAB CCn1c(S[C@H](C)C(=O)NC(=O)NC)nnc1-c1ccccc1 4594861 NAABMWFZMZVLEJ-SNVBAGLBSA-N 333.417 1.901 0 40 EDAB Cn1ncc2c(=O)n(Cc3cc(Cl)cc4c3OCOC4)cnc21 14249288 XRRDFAMRESAEJT-UHFFFAOYSA-N 332.747 1.698 0 40 EDAB CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCCc1cncn1C 96011896 NEBWRJIWERZAAN-KRWDZBQOSA-N 342.443 1.606 0 40 EDAB CCCn1nc(C(=O)OCC(=O)c2cc(F)ccc2OC)ccc1=O 14845617 LIJNLZRYEGIENN-UHFFFAOYSA-N 348.330 1.841 0 40 EDAB CC1(CNC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)CCCC1 66596363 KWUFMDOFNYRFDG-JKSUJKDBSA-N 339.480 1.603 0 40 EDAB C[C@@H](Nc1cccc(NC(=O)CO)c1)C(=O)NCc1ccc(F)cc1 66582869 QRPAOCWGENUAGM-GFCCVEGCSA-N 345.374 1.873 0 40 EDAB Cc1ccc2[nH]c3c(=O)n4c(nc3c2c1)S[C@H]1CS(=O)(=O)C[C@H]14 67341800 MKZWIUFCZOYATJ-MNOVXSKESA-N 347.421 1.630 0 40 EDAB Cn1cc(CCNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cn1 69079051 XCAPWJANUXJEPP-OAHLLOKOSA-N 327.388 1.067 0 40 EDAB CCN(CC)C(=O)CSc1nnc(S[C@@H](C)C(=O)NC)s1 8132689 BCFSYVLFJJGBPI-QMMMGPOBSA-N 348.519 1.725 0 40 EDAB C[C@H]1CN(C(=O)N2CCOCC2)C[C@@]12CCN(c1cccnc1)C2=O 306140646 UZMCIRIJTMYASC-KSSFIOAISA-N 344.415 1.209 0 40 EDAB O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1ccc[nH]c1=O 70019105 UEQHEAIKUSCKFU-CYBMUJFWSA-N 347.371 1.668 0 40 EDAB Cc1noc([C@H](C)N2CCN([C@@H](C)C(=O)Nc3cc(C)on3)CC2)n1 69376645 WMYSVTJLWXQROU-RYUDHWBXSA-N 348.407 1.380 0 40 EDAB COC(=O)c1cccnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 96997863 YGVNDINVLHAXQA-UHFFFAOYSA-N 343.358 1.970 0 40 EDAB Cn1ccnc1[C@H](NS(=O)(=O)CC[C@H]1CCCO1)c1ccccc1 96472398 RRCMGAQUZVIPEI-HZPDHXFCSA-N 349.456 1.998 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)C=C(C2CC2)C2CC2)CC1 71883324 BKIUEUIGYVKRNI-QGZVFWFLSA-N 331.460 1.674 0 40 EDAB CCc1nc(CN(C)[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cs1 71828270 PMCYDZQEPWERKG-RYUDHWBXSA-N 338.477 1.250 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC(=O)[C@@H]1CCc2ccccc2C1 408498202 KUMGTELGVQUUBO-CQSZACIVSA-N 334.397 1.901 0 40 EDAB O=C(CN1CCC[C@@H](N2CCNC2=O)C1)N1CCc2sccc2C1 71841113 ZQCWPNRUEPNKFG-CQSZACIVSA-N 348.472 1.122 0 40 EDAB CS(=O)(=O)NCCNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 71803883 GBLIIGQFKNKIAX-CQSZACIVSA-N 343.424 1.515 0 40 EDAB Cc1ccc(-c2noc(CCC(=O)N[C@@H]3CCN(C)C3=O)n2)cc1F 71915394 JWNFDJGMBMUNBD-CYBMUJFWSA-N 346.362 1.464 0 40 EDAB CCn1c(C)nnc1S(=O)(=O)CC(=O)N1[C@H](C)CCC[C@H]1C 72273330 KJNSXUIAJDFLBQ-GHMZBOCLSA-N 328.438 1.170 0 40 EDAB COC(=O)c1cc(C(=O)NC[C@@H](C)N(C)C)n(-c2ccccc2)n1 72254931 DVADUZMPHSHVHU-GFCCVEGCSA-N 330.388 1.339 0 40 EDAB CN(C(=O)CS(=O)(=O)N(C)C)[C@H](c1ccc(F)cc1)C1CC1 97107335 YQJAJGDCRANGQN-HNNXBMFYSA-N 328.409 1.627 0 40 EDAB Cc1cc(C)nc(NCC(=O)Nc2cccc(-c3nnn(C)n3)c2)n1 79495614 VGQADYDACQAHSP-UHFFFAOYSA-N 338.375 1.335 0 40 EDAB Cc1cccc2nc(CN3CCc4ccc(S(N)(=O)=O)cc43)cn12 72661582 UJSWYCWFXODVJS-UHFFFAOYSA-N 342.424 1.853 0 40 EDAB CC[C@H]1CN(C(=O)c2csc(COC)n2)C[C@@H]1N1CCOCC1 84736147 HEJGOYIJHPQXHX-JSGCOSHPSA-N 339.461 1.472 0 40 EDAB COc1ccc(CNc2cnn(CC(=O)NCCN(C)C)c2)cc1F 95462159 ZLXOPKSXKUSDSQ-UHFFFAOYSA-N 349.410 1.321 0 40 EDAB Cn1cc(C(=O)OCCn2cc(Br)ccc2=O)cn1 95463485 ORIAZRGEWBOPOT-UHFFFAOYSA-N 326.150 1.201 0 40 EDAB C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1nnn[nH]1 95421506 BCYXXPSNVOOKMY-ZCFIWIBFSA-N 328.145 1.919 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)o1 95431033 IPCCKUFPCZAJTH-MRXNPFEDSA-N 329.400 1.440 0 40 EDAB O=c1c(NS(=O)(=O)c2cn[nH]c2)cccn1Cc1ccc(F)cc1 88547559 WWXKKKWZWIQEFI-UHFFFAOYSA-N 348.359 1.560 0 40 EDAB Cc1csc(CNC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)n1 89705599 RFUBRDWRAIBEHN-AWEZNQCLSA-N 345.424 1.495 0 40 EDAB CC(=O)C[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 89894473 SZDPBOOUMYWTCH-BMLIUANNSA-N 349.362 1.077 0 40 EDAB O=C(c1cccc(OCC(F)F)n1)N1CC[C@@](O)(C(F)(F)F)C1 89832046 HHAYINVLJAMPOI-LBPRGKRZSA-N 340.248 1.865 0 40 EDAB COc1cccc(OC)c1CC(=O)Nc1c[nH]nc1[C@H]1CCNC1 1549729471 DYMMDLFUHSMSDY-NSHDSACASA-N 330.388 1.685 0 40 EDAB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1ccc(F)cc1 37866474 YBHZCCDSCAEROQ-BXEYMJOASA-N 333.315 1.505 0 40 EDAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(Cl)c1 218412898 VXJOXLVIIQPCPT-OBJOEFQTSA-N 331.821 1.501 0 40 EDAB O=C(O)[C@@H]1Cn2c(O)nnc2CN1Cc1nc2ccccc2s1 520217451 KBQQVEIIUVTUHJ-VIFPVBQESA-N 331.357 1.062 0 40 EDAB CNCC(=O)N1CCC[C@@H]1c1cc(Nc2cnccn2)nc(C)n1 72360923 VFMQLYHFWZEAIK-CYBMUJFWSA-N 327.392 1.202 0 40 EDAB CCOC[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(OC)cc1 218085378 JRWUAKGYPKIFDE-JYJNAYRXSA-N 327.446 1.577 0 40 EDAB CCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC 217467556 ISSCEXSOMYJRQQ-UHFFFAOYSA-N 330.406 1.522 0 40 EDAB Cc1cc(NC(=O)C(=O)NCCN(C)C)ccc1Br 73743135 QMQIQJJMXAARDC-UHFFFAOYSA-N 328.210 1.374 0 40 EDAB CS(=O)(=O)CCNCc1cc(Br)c2c(c1)OCO2 37740700 JLZDNNLSBZTJGE-UHFFFAOYSA-N 336.207 1.312 0 40 EDAB CN(C)c1ccnc(CNS(=O)(=O)c2cccc(Cl)c2)n1 211100001 MBEQNGLILAVJIR-UHFFFAOYSA-N 326.809 1.675 0 40 EDAB COCc1cc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)cc(C(=O)O)c1 562350847 CXVXPNPSQHOKDN-LBPRGKRZSA-N 332.356 1.481 0 40 EDAB Cc1nc(CN2CCN(C(=O)CCc3cccc(F)c3)CC2)no1 79001539 DPEDHGFOKFMUMZ-UHFFFAOYSA-N 332.379 1.794 0 40 EDAB NC(=O)[C@]1(CCCc2cccnc2)CCCN(c2cnccn2)C1 72367219 WRXWIJWGRRTMDJ-GOSISDBHSA-N 325.416 1.966 0 40 EDAB CN(C)C(=O)CCc1cccc([C@@H]2CCCN(CC(=O)N(C)C)C2)n1 72360503 BDWRNGZGOYONMY-OAHLLOKOSA-N 346.475 1.370 0 40 EDAB Cc1cc(CC(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)on1 568069616 JSXTYNWTYXLIAI-INIZCTEOSA-N 327.384 1.485 0 40 EDAB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ncccn2)C1 225506682 YNVIAQGDTNZTDK-LBPRGKRZSA-N 328.376 1.016 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCC2(CO)CC2)[C@@H]1c1ccc(F)cc1 223225669 PPFQPDAXPXHXNX-ZBFHGGJFSA-N 334.391 1.624 0 40 EDAB O=C1CN(c2cc(N3CCCC3)ncn2)CCN1c1cccs1 225486492 GCQLWZBZDIQQCC-UHFFFAOYSA-N 329.429 1.992 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnn3)C2)s1 225419273 VKQSOQQBRLMCNW-NSHDSACASA-N 325.415 1.689 0 40 EDAB CSc1ncccc1C(=O)NCCCc1cnc2ncnn2c1 225641856 TZLSWXAORZDBIA-UHFFFAOYSA-N 328.401 1.604 0 40 EDAB Cc1nc(NS(C)(=O)=O)sc1C(=O)NCc1cccnc1 225877213 VTQVLPIOIXPGDK-UHFFFAOYSA-N 326.403 1.148 0 40 EDAB Cc1ccc2nc(CN3CCN(C(=O)c4cc(C)no4)CC3)cn2c1 96460052 MSCWGJWRNNIZMZ-UHFFFAOYSA-N 339.399 1.897 0 40 EDAB CCn1cc(CN(C)C(=O)[C@H](C)n2nnc(-c3ccccc3)n2)cn1 96431057 MOQDWPHTQQRXIX-ZDUSSCGKSA-N 339.403 1.776 0 40 EDAB COC[C@H]1CN(C(=O)COc2ccccc2C)Cc2ncn(C)c21 96044809 JNERVBWJDORNNA-CQSZACIVSA-N 329.400 1.880 0 40 EDAB O=C(O)[C@H](O)[C@H](O)C(=O)N(Cc1ccccc1)Cc1ccccc1 98088251 QHERASGNOTZQLN-JKSUJKDBSA-N 329.352 1.022 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3cccnc3)Cc3nccn3C2)n1 96188705 POJSOVNGBKVNHN-QGZVFWFLSA-N 337.431 1.819 0 40 EDAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(Cc1ccco1)CC2 96061510 SGJRWZWJRNSONI-INIZCTEOSA-N 328.416 1.994 0 40 EDAB Cc1cc(C)n2c(CN3CCOC[C@@H]3c3nc(C)no3)cnc2n1 97103967 KPKFVQJOAVAXIJ-CQSZACIVSA-N 328.376 1.611 0 40 EDAB Cc1ccc(N2CC[C@@H](N3CCN(C[C@H]4CCOC4)CC3)C2=O)cc1 96455422 OHPDADSIUKMPAS-IEBWSBKVSA-N 343.471 1.754 0 40 EDAB Cc1nc2ncnn2c(N(C)Cc2nc(-c3cccnc3)no2)c1C 96462061 FIBOYAITKMBVSH-UHFFFAOYSA-N 336.359 1.823 0 40 EDAB COc1cccc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)c1 96184169 AUKYUUSBXNRHPG-JKSUJKDBSA-N 340.383 1.449 0 40 EDAB O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccncc2)C1 96041295 QUNOLZFTACZKED-ARFHVFGLSA-N 339.399 1.490 0 40 EDAB Cc1cc(N(C)C(=O)CS(=O)(=O)N(C)C)ccc1Br 97372362 FQYWRMSXFFFRRI-UHFFFAOYSA-N 349.250 1.612 0 40 EDAB CN1C(=O)CC[C@H](NC(=O)N[C@@H]2CCCc3ccc(F)cc32)C1=O 333400376 NSLADLAAMARDFN-KGLIPLIRSA-N 333.363 1.650 0 40 EDAB O=C1CCCN1C[C@H]1CN(C(=O)C2CC=CC2)Cc2nccn2C1 96066990 XIRMFVYGJHQJNI-AWEZNQCLSA-N 328.416 1.430 0 40 EDAB C[C@H]1c2cc(F)ccc2CCN1S(=O)(=O)N1CCO[C@H](C)C1 96428038 SEPIPQLDQGZNOE-NEPJUHHUSA-N 328.409 1.710 0 40 EDAB O=S(=O)(c1c(F)cccc1F)N1CCC(N2CC[C@H](O)C2)CC1 96099714 HCQFWLQJVPJVEF-LBPRGKRZSA-N 346.399 1.185 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Cc2ccn(C)n2)cc1 583622889 BWDKEDPASPFGKG-HKUYNNGSSA-N 343.427 1.870 0 40 EDAB O=S(=O)(c1cncc(Cl)c1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 583616418 OREHPRFEZBHLTD-MJBXVCDLSA-N 346.836 1.286 0 40 EDAB CS(=O)(=O)N1CCOCC2(CCN(Cc3ccoc3)CC2)C1 96240041 WNQZPGXHZZCVTB-UHFFFAOYSA-N 328.434 1.154 0 40 EDAB COCCC(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2Cc1csc(C)n1 96064707 PASQPHZWDLYFMR-KBPBESRZSA-N 337.445 1.580 0 40 EDAB Cc1n[nH]c([C@H]2CN([C@H]3CCc4ccccc4NC3=O)CCO2)n1 248843272 MFJAYLHATUGQPJ-LSDHHAIUSA-N 327.388 1.440 0 40 EDAB O=C(NCc1nc([C@H]2CCCO2)n[nH]1)c1c[nH]nc1-c1ccccc1 585090959 FSKVMQNUHGIQIU-CYBMUJFWSA-N 338.371 1.976 0 40 EDAB CCC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2nccc(N)n2)cc1 585135010 TXJININDWVOSEG-SNVBAGLBSA-N 349.416 1.447 0 40 EDAB Cc1[nH]nc(I)c1C(=O)NCCc1ccco1 585122381 ZAPVFTRLNWOSDV-UHFFFAOYSA-N 345.140 1.888 0 40 EDAB CC(=O)N(C)CC(=O)N1C[C@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 585129140 YYSOIXQNFGIFSB-PMACEKPBSA-N 343.471 1.835 0 40 EDAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 585139332 FQDAWTVGWJULJF-LLVKDONJSA-N 348.900 1.733 0 40 EDAB O=S(=O)(NC[C@H]1CCCO1)C1(COCc2ccccc2)CC1 585135249 ZKKJLESSWPARNA-OAHLLOKOSA-N 325.430 1.834 0 40 EDAB CCn1cc(-c2ccnc3cc(C(=O)NC4(C)COC4)nn23)c(C)n1 257226309 FKCHZXQKUHLXOZ-UHFFFAOYSA-N 340.387 1.440 0 40 EDAB O=S(=O)(c1cccnc1)N1C[C@H]2CC[C@H](Cc3cnccn3)[C@H]2C1 257200961 AFNMPKYMATUERM-CKEIUWERSA-N 344.440 1.761 0 40 EDAB C[C@@H]1c2nc(C(=O)N3CC=CC3)cn2CCN1CC1CCOCC1 253592368 VPKMQUAXEYGUHL-CQSZACIVSA-N 330.432 1.698 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccs3)C[C@@H]21 253489725 GEUIGSYDGRSSIS-MRVWCRGKSA-N 330.475 1.134 0 40 EDAB COC(=O)[C@H](C)[C@H](C)S(=O)(=O)NC(=O)c1cc(C)c(C)s1 252510119 ZBUYRCVEPDFARQ-SCZZXKLOSA-N 333.431 1.622 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1cnccn1 257255230 KGQPWIZJTNXOTJ-KRWDZBQOSA-N 345.378 1.114 0 40 EDAB O=C(c1noc2c1CCCC2)N1CCO[C@@H](CCc2ccncn2)C1 257275370 NPAWDCWBEUFQGU-AWEZNQCLSA-N 342.399 1.817 0 40 EDAB Cc1cc(C(N)=O)nc([C@]2(C)CCCN2Cc2cnn(C)c2C)n1 257271708 MZLOWPLNTBNULE-KRWDZBQOSA-N 328.420 1.437 0 40 EDAB Cc1noc(C)c1-c1cc(CC2CCN(C(=O)CN)CC2)ncn1 257238347 HKNWVKRKSCGUMA-UHFFFAOYSA-N 329.404 1.488 0 40 EDAB CCN1C(=O)COc2ccc(S(=O)(=O)Nc3cnccc3C)cc21 252489128 JGNFNXPOUMRGGQ-UHFFFAOYSA-N 347.396 1.936 0 40 EDAB C[C@H](C[S@](C)=O)NC(=O)NC1CCN(c2nccs2)CC1 252491962 MAHGQPRLYMUXNH-UZJPJQLHSA-N 330.479 1.178 0 40 EDAB COc1cc(C)cc2c(C)c(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)oc12 1615056060 COSMOXLDBRNNIA-KBPBESRZSA-N 332.400 1.805 0 40 EDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)[C@@H]1C[C@@H]1c1ccccc1 1615204990 NBVLCVGFQCTFAQ-PMOUVXMZSA-N 339.413 1.342 0 40 EDAB O=C([C@@H]1NCC12CCCC2)N1CCn2cnc(C(F)(F)F)c2C1 1615550636 YMQSJWQCEJBPRH-LBPRGKRZSA-N 328.338 1.776 0 40 EDAB C[C@H](NC(=O)NCc1cccc(C(F)(F)F)n1)c1nnnn1C 1615616230 YLBJJFMGOCZTQI-ZETCQYMHSA-N 329.286 1.184 0 40 EDAB CCOC(=O)c1cnn(C[C@@H](O)CN(C)[C@H](C)CCSC)c1 1615614308 DTBXXIXZVYJUMC-OCCSQVGLSA-N 329.466 1.494 0 40 EDAB O=C1CCCN1C[C@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 575404151 ABJHKJVBBPJSJT-HNNXBMFYSA-N 340.383 1.408 0 40 EDAB CCN(CC)C(=O)CCC1CCN(c2ccc3nncn3n2)CC1 583362774 LLHHCKDJAYMXDZ-UHFFFAOYSA-N 330.436 1.989 0 40 EDAB Cc1ccccc1C(=O)N1C[C@H]2CN(CCN3CCCC3)C(=O)[C@H]2C1 585107370 UWMULZVERQCNAH-AEFFLSMTSA-N 341.455 1.621 0 40 EDAB O=C(N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1)[C@H]1[C@H]2COC[C@H]21 585110644 ROAHYHZATRAAII-ZXFNITATSA-N 328.412 1.124 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(C(=O)Cc3ccc(F)cn3)C[C@H]2O1)N1CCC1 585109697 ZZJKKKVTFJUMPJ-VBNZEHGJSA-N 347.390 1.002 0 40 EDAB Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCCCC3)CC[C@@H]2O)cc1 585282438 KCEBROILLHIRFK-ICSRJNTNSA-N 349.471 1.867 0 40 EDAB COC[C@H]1Cc2c(ncn2C)CN1C(=O)Cc1ccc(F)cc1OC 585094786 MUPZPLKWIJPCMB-CQSZACIVSA-N 347.390 1.710 0 40 EDAB O=C1[C@H](NS(=O)(=O)Cc2ccccc2)CCN1Cc1ccccc1 58201472 MVVPUNNBJUWKHN-QGZVFWFLSA-N 344.436 1.907 0 40 EDAB O=C(CSCc1ccncc1)NCCNC(=O)c1cccs1 58341805 YKFKTMWZFQNEFG-UHFFFAOYSA-N 335.454 1.923 0 40 EDAB COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 69974712 CWOGCTSXEIGCNS-QAPCUYQASA-N 339.395 1.926 0 40 EDAB CC(C)(C)OC(=O)N1CCC2(CC1)OC1(CN)CC2(C(=O)O)C1 1554713265 HIOURKHGZPLRMF-UHFFFAOYSA-N 326.393 1.349 0 40 EDAB c1ccc2c(c1)C[C@H](CNCc1cnc(N3CCOCC3)nc1)CO2 65465148 GBSNXDHQUYPZRB-OAHLLOKOSA-N 340.427 1.654 0 40 EDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(C(N)=O)s2)cc1 78814657 BFIKTKVHEZUBRR-NSHDSACASA-N 348.380 1.801 0 40 EDAB Cc1nc(C(=O)N[C@@H](CCO)C(F)F)nn1-c1ccc(F)cc1 585087760 NQMHBSNPKNWDAT-NSHDSACASA-N 328.294 1.461 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCc2ccc(Cl)o2)[C@H]1c1nccn1C 1615591249 SHLMUANFSHOKOI-GWCFXTLKSA-N 336.779 1.502 0 40 EDAB O=S(=O)(c1cccc(N2CCC(O)CC2)n1)N1CCC[C@@H]2C[C@@H]21 1615053456 UZASLZKNXBBILZ-OCCSQVGLSA-N 337.445 1.216 0 40 EDAB CC[C@H]1CO/C(=C(\C(=C(Cl)Cl)N2CCOCC2)[N+](=O)[O-])N1 4301253 GXFWRYRILXIBBU-HWFBOZJMSA-N 338.191 1.810 0 40 EDAB CN(C)c1nc(N)nc(Oc2ccc(OCc3ccccc3)nn2)n1 5051232 MJLBBPHQRAUBNW-UHFFFAOYSA-N 339.359 1.681 0 40 EDAB NC(=O)c1nn(-c2ccccc2F)s/c1=N\C(=O)c1ccccc1 16948529 BPRWPSMNLKTHOA-MNDPQUGUSA-N 342.355 1.913 0 40 EDAB COc1cccc(N2C(=O)C[C@H](N3CCC(C(=O)O)CC3)C2=O)c1 18063704 WCQNQCKEIVJZIM-AWEZNQCLSA-N 332.356 1.124 0 40 EDAB O=C([C@H]1CCCO1)N1CCC[C@H](c2cc3cccnc3c(=O)[nH]2)C1 19347209 QCNUFBITADBBPM-DZGCQCFKSA-N 327.384 1.808 0 40 EDAB CN1CCN([C@@H](CC(=O)Nc2ccccc2Cl)C(=O)O)CC1 22461842 AQBDGKXSZJIWHS-ZDUSSCGKSA-N 325.796 1.369 0 40 EDAB Cn1cccc(C(=O)N2CCC[C@H](COc3ncccn3)C2)c1=O 1775995306 MYZOALZPUHEMQX-ZDUSSCGKSA-N 328.372 1.107 0 40 EDAB O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccccc1Cl 1776008830 PNCHHYMVNNPMDY-UHFFFAOYSA-N 344.864 1.873 0 40 EDAB COc1cccc(CC(=O)N2CCc3nc4ccccn4c(=O)c3C2)c1 238875914 OAOVEVLBPDQMBK-UHFFFAOYSA-N 349.390 1.831 0 40 EDAB COc1ccc(C(=O)N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)cc1 2037985698 SNNRDXLKVYVAMI-IBGZPJMESA-N 346.427 1.795 0 40 EDAB O=S(=O)(c1ccccc1C(F)(F)F)N1CC[C@H](n2nccn2)C1 253472051 IMONTCUGNJBVGZ-JTQLQIEISA-N 346.334 1.933 0 40 EDAB COCCN1C[C@@]2(COCCN(Cc3cccc(F)c3)C2)CC1=O 1565542696 VYNSGMQLIPSEOA-GOSISDBHSA-N 336.407 1.523 0 40 EDAB CCOCC(=O)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 10251723 ZQDBEESDAIIUKC-UHFFFAOYSA-N 347.762 1.342 0 40 EDAB O=C(NC1CC1)c1csc(NS(=O)(=O)c2cccs2)n1 11693231 WVTDDPLJMLHYCO-UHFFFAOYSA-N 329.428 1.898 0 40 EDAB NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)C3CC3)n2)cc1 17155432 HNOLHIRHWRCQST-UHFFFAOYSA-N 344.396 1.772 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)CCSC 1775967401 QEFQPMKIEUIPOF-SNVBAGLBSA-N 339.866 1.741 0 40 EDAB Cn1nnnc1SCC(=O)N1CCS[C@H](c2ccco2)CC1 207005036 BKWAGXOPMWFGDY-NSHDSACASA-N 339.446 1.602 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 49027048 KIPKARDMSLANPK-UHFFFAOYSA-N 347.375 1.216 0 40 EDAB COc1ccc(C(=O)N2CC[C@H](Oc3ncccn3)C2)c(OC)c1 575610998 RHGFOHIKNTWVLH-ZDUSSCGKSA-N 329.356 1.787 0 40 EDAB O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)C1(c2ccccc2)CC1 225801865 XAFUEHMJXJWFAP-UHFFFAOYSA-N 336.351 1.773 0 40 EDAB CC(=O)Nc1ccc(CNC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1 30665724 HRYYMEINVCLAHW-MJGOQNOKSA-N 347.459 1.472 0 40 EDAB COc1ccc(S(=O)(=O)NC(=O)CC(C)(C)C)cc1NC(C)=O 40461117 NMRPSSSYUUGUQI-UHFFFAOYSA-N 342.417 1.895 0 40 EDAB O=c1[nH]c(=O)n(Cc2ccco2)c2c1CN(Cc1ccccc1)CN2 20522596 QLBFBQKQKQCUTD-UHFFFAOYSA-N 338.367 1.563 0 40 EDAB Cn1ccnc1CCNS(=O)(=O)c1cccc(Br)c1 40640829 LVERFLGAFQKPAU-UHFFFAOYSA-N 344.234 1.704 0 40 EDAB CC(C)NC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1 32103330 MTRLSIHXSCQDKX-UHFFFAOYSA-N 330.344 1.672 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCCCC3)nc2)C1 45877850 FRQPBRNMAXBKFK-CQSZACIVSA-N 331.420 1.089 0 40 EDAB CCCn1nc(C(=O)N2CCN(c3ccccc3)CC2)ccc1=O 11781876 PPSIJEUQHXRPFO-UHFFFAOYSA-N 326.400 1.616 0 40 EDAB CN(C)c1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cn1 46198305 BAWAEEXMZOTSOO-UHFFFAOYSA-N 330.432 1.622 0 40 EDAB Cc1cc(N2CCn3c(C)nnc3C2)n2nc(C(F)(F)F)nc2n1 69436550 USLYWVKEXKKNKB-UHFFFAOYSA-N 338.297 1.372 0 40 EDAB CC(C)c1noc([C@H](C)N2CCN(Cc3nnnn3C3CC3)CC2)n1 69414698 QRRYPCUFYFFRNR-LBPRGKRZSA-N 346.439 1.393 0 40 EDAB Cc1cc(CN2CCN(C[C@H](O)c3ccc4c(c3)OCO4)CC2)no1 69453956 MJOZJSGHEYQNKD-INIZCTEOSA-N 345.399 1.563 0 40 EDAB Cc1cccc(OCCNC(=O)CN2CCc3cncnc3C2)c1 69485932 GWJNUMAYDKPEBY-UHFFFAOYSA-N 326.400 1.338 0 40 EDAB CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 327135 GZMLOYHLICCMMS-UHFFFAOYSA-N 330.413 1.972 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)CNCc2cccs2)c1 7156646 AVOXAHCHOMVIQR-UHFFFAOYSA-N 325.415 1.124 0 40 EDAB COc1ccccc1C(=O)NC(=O)COC(=O)Cc1ccc(F)cc1 7514723 NPJPCQMYMFPDRR-UHFFFAOYSA-N 345.326 1.877 0 40 EDAB CN(CCNC(=O)c1cccnc1N1CCOCC1)c1ccccc1 29956759 OMRBZHATFZWYGB-UHFFFAOYSA-N 340.427 1.784 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1Cc1cccc(F)c1 46626548 LBQVENGMVUWHKX-DZGCQCFKSA-N 325.405 1.794 0 40 EDAB COc1cc(F)c(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)cc1OC 69769648 FGENNWLCJQYAHK-UHFFFAOYSA-N 344.320 1.670 0 40 EDAB COCC(=O)N1CCC(NS(=O)(=O)c2ccc(F)c(C)c2)CC1 69739312 YXWHBKPYSCZHMK-UHFFFAOYSA-N 344.408 1.050 0 40 EDAB CCNC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(C(C)(C)C)n3)CO[C@H]12 8297236 OKRJTBBOJHCSOY-CDGCEXEKSA-N 349.435 1.040 0 40 EDAB biogenic,in-vitro Cc1ccc(Cn2nc3n(c(=O)c2=O)CCN3c2ccccc2)cc1 8848742 HCYVPNZYZTUYGZ-UHFFFAOYSA-N 334.379 1.913 0 40 EDAB COCCCNC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O 21896294 BVAGPJQOHPVZAG-UHFFFAOYSA-N 335.791 1.961 0 40 EDAB COc1ccc2[nH]c3c(N4CCC(C(N)=O)CC4)ncnc3c2c1 525864 WDHIJGNLXACFPD-UHFFFAOYSA-N 325.372 1.821 0 40 EDAB biogenic CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 55941875 JISQGEUYCBOXEX-UHFFFAOYSA-N 332.425 1.844 0 40 EDAB Cn1c(NC(=O)c2ccc(Br)cc2)cc(=O)n(C)c1=O 2711250 SNPQWDALVAGIIS-UHFFFAOYSA-N 338.161 1.099 0 40 EDAB Cc1nn(CC(=O)N2CCO[C@H]3CCC[C@H]32)c(=O)c2ccccc12 53372395 LEDSULFTHHLACO-CVEARBPZSA-N 327.384 1.485 0 40 EDAB CN1CC(=O)N(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)C1=O 53358085 GNALXUADXSYMNV-ZDUSSCGKSA-N 341.371 1.120 0 40 EDAB COc1ccc(-c2noc(C(=O)NCC(=O)NC(C)C)n2)cc1OC 12321686 VQVZYTPILBYGQO-UHFFFAOYSA-N 348.359 1.008 0 40 EDAB BrC12C3[C@@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 100716938 PHSSQOWAVHELST-XLNMBENBSA-N 334.007 1.762 0 40 EDAB CN(CCS(=O)(=O)CCC(N)=O)Cc1c(F)cccc1Cl 23820436 YSFPYQXOXSKTES-UHFFFAOYSA-N 336.816 1.201 0 40 EDAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)Nc1ccc(N(C)C)nc1 24031689 PYNNBYKEZKDQME-UHFFFAOYSA-N 333.417 1.773 0 40 EDAB COc1ccc([C@@H]2CCCCCN2C(=O)C[C@H]2NC(=O)NC2=O)cc1 42895513 ALYMVQMWLHKSTP-CABCVRRESA-N 345.399 1.737 0 40 EDAB CN(C(=O)CN1CCC[C@@H]1C(=O)NCC(F)(F)F)c1ccccc1 54991241 ULLYJJPCWBZXNA-CYBMUJFWSA-N 343.349 1.792 0 40 EDAB Cc1sc2nc(-c3ccc(S(N)(=O)=O)cc3)[nH]c(=O)c2c1C 55492849 ICPWHQKBXHUAQD-UHFFFAOYSA-N 335.410 1.916 0 40 EDAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)OC 25714924 OMYZWZIHAIYAMA-GFCCVEGCSA-N 339.417 1.304 0 40 EDAB Cc1cc(C)n2ncc(C(=O)NC[C@@H](C)N3C[C@H](C)O[C@H](C)C3)c2n1 43843675 CDVRKMVSLTVRNI-KFWWJZLASA-N 345.447 1.574 0 40 EDAB Cc1nn(C)cc1CN1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108529832 PZCPNODLDLRBOS-OALUTQOASA-N 341.459 1.599 0 40 EDAB CCCn1c(SCC(=O)NCCOC)nc2ccsc2c1=O 57425135 WYORHTNBAWRITG-UHFFFAOYSA-N 341.458 1.723 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 19670541 PNKSXBPNIGTQEW-INIZCTEOSA-N 344.459 1.254 0 40 EDAB O=C1CN(C(=O)COC(=O)c2ccccc2O)c2ccccc2N1 3294634 YJPFALDIPHSVLM-UHFFFAOYSA-N 326.308 1.534 0 40 EDAB COc1ccc2cnn(CC(=O)NCCC(C)C)c(=O)c2c1OC 62001578 WEBNRNIFUGAZEG-UHFFFAOYSA-N 333.388 1.576 0 40 EDAB biogenic O=C(CNC(=O)c1ccccc1)N[C@H]1CC(=O)N(c2ccccc2)C1 58246042 YDPLLOPJNQZIJS-HNNXBMFYSA-N 337.379 1.338 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)Nc1ccc(S(C)(=O)=O)nc1 58297150 QQYRKKYKGDGTET-UHFFFAOYSA-N 337.405 1.271 0 40 EDAB Cc1ccc(CNC(=O)NCc2ccnc(N3CCOCC3)c2)cn1 44968561 QUMXRYSPKCDZHO-UHFFFAOYSA-N 341.415 1.621 0 40 EDAB O=c1ccnc2sc(NCCOc3ccc4c(c3)OCO4)nn12 44976421 HSBKLVHMMUUXLE-UHFFFAOYSA-N 332.341 1.371 0 40 EDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)NCCOc1cccc(F)c1 58393204 PXCDHCDMROUJQH-CYBMUJFWSA-N 347.433 1.241 0 40 EDAB COc1c(CNCc2cccnc2N2CCN(C)CC2)c(C)nn1C 58304914 XTOWCRRIZOSLIZ-UHFFFAOYSA-N 344.463 1.174 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)n1 27970347 KAXBCRHIWXTEDP-INIZCTEOSA-N 347.440 1.465 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1cc(OC)c(OC)cc1C 27955912 PCGWWMJEPRXIIE-UHFFFAOYSA-N 344.433 1.159 0 40 EDAB CC(C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 3362844 WIBLPTIRAMFTNL-AWEZNQCLSA-N 328.372 1.155 0 40 EDAB COc1cc(NC(=O)COC(=O)c2cnc(C)cn2)cc(OC)c1 3379919 ZJFKLLOAZSYSMT-UHFFFAOYSA-N 331.328 1.598 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1 2306130 UVKHKYPZEVWYEK-UHFFFAOYSA-N 330.315 1.867 0 40 EDAB O=C(NCc1ccoc1)c1ccc(S(=O)(=O)N2CCCCC2)o1 48250324 HCEOVQHCKWOSOG-UHFFFAOYSA-N 338.385 1.977 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2ccccn2)cc1 11261323 QCBRVTMWIOQFSK-UHFFFAOYSA-N 334.397 1.754 0 40 EDAB O=C(Cn1ccccc1=O)N[C@@H]1CCCN(Cc2ccccc2)C1 48277761 STDRSHWFNRFTJL-QGZVFWFLSA-N 325.412 1.629 0 40 EDAB CCCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306127360 FWRUYXBRZHGVEG-AWEZNQCLSA-N 340.445 1.681 0 40 EDAB C[C@@H](CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 48311694 CZEZIMNQLBWHMN-ZFWWWQNUSA-N 339.461 1.513 0 40 EDAB CCOc1cccc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 48367211 XBHNXOAYKBLMBE-UHFFFAOYSA-N 347.396 1.733 0 40 EDAB C[C@@H]1CN(S(=O)(=O)NCc2nc3ccccc3s2)C[C@@H](C)O1 48333319 SAZVTLMDWRQNSQ-GHMZBOCLSA-N 341.458 1.740 0 40 EDAB O=C(CNC(=O)c1ccccc1)NC[C@H]1COc2ccccc2O1 3436917 BTXAYJGDASZQFI-AWEZNQCLSA-N 326.352 1.373 0 40 EDAB CC(C)CNC(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O 3504695 PBMKYUYLMAYMDC-ZDUSSCGKSA-N 336.413 1.805 0 40 EDAB NC(=O)C1CCN(C(=O)c2cc(F)ccc2Br)CC1 12971688 VJKJVWGGVIHOEX-UHFFFAOYSA-N 329.169 1.926 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3cc[nH]c3c2)cc1 9341746 SFYXNKWNCNVGKE-UHFFFAOYSA-N 343.408 1.788 0 40 EDAB CCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 13112990 OGJUQQKXAHRJJY-UHFFFAOYSA-N 328.434 1.866 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1C 13129981 AZOQPMUGPPMULH-VXGBXAGGSA-N 344.367 1.552 0 40 EDAB C[C@H](c1cccc(F)c1)S(=O)(=O)CC(=O)NC[C@H]1CCCO1 69620792 HNSOKYZMLNJXJW-BXUZGUMPSA-N 329.393 1.597 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)CCOCC(F)(F)F 69874344 NFHSQLAEINDSKH-SECBINFHSA-N 342.383 1.772 0 40 EDAB Cc1c(C(=O)O)sc2ncn(CC(=O)NC3CCCC3)c(=O)c12 13417341 PILRWMKDLRRNJO-UHFFFAOYSA-N 335.385 1.523 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)c1[nH]nc(C2CC2)c1Br 89938259 OQFALPXBQKAJQC-QMMMGPOBSA-N 327.226 1.826 0 40 EDAB CCOc1ccccc1C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 4147726 KMBNQASMEILRAN-HGSJOUDDSA-N 326.352 1.537 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)N1CCCCC1 23022614 KQPWLRYMCWVMJB-AWEZNQCLSA-N 340.445 1.879 0 40 EDAB CC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl 13739463 CDBPSCZFECZPSX-QPJJXVBHSA-N 342.808 1.247 0 40 EDAB Nc1nonc1NC(=O)CSc1ncc(-c2ccccc2)nn1 13942932 WKBVCUZEPXLETA-UHFFFAOYSA-N 329.345 1.235 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1cc(Cl)ccc1-n1cnnn1 65493306 YBWMVKMOMNGMQO-NSHDSACASA-N 343.778 1.257 0 40 EDAB CCOc1ccc(-c2nnc(SCC(=O)N3CCNC3=O)o2)cc1 5391803 ISFUTYFEXYMNGD-UHFFFAOYSA-N 348.384 1.779 0 40 EDAB COC[C@@H](C)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 14167426 XHXUXXFFUMRHJN-SECBINFHSA-N 335.429 1.557 0 40 EDAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N(C)C[C@@H]1COc2ccccc2O1 14160493 ZHJCIGJDRNHQOG-QWHCGFSZSA-N 349.431 1.771 0 40 EDAB Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N3CCN(C)CC3)cc12 4675281 BSZBMKXRUOAPAB-UHFFFAOYSA-N 338.385 1.376 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)n1 76046116 JXKKQAVZUBMWNI-GXTWGEPZSA-N 345.403 1.520 0 40 EDAB CC(C)Oc1ccc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)cn1 76056171 ATZJZLPMSBPGGV-GDBMZVCRSA-N 333.432 1.662 0 40 EDAB O=C(Cn1cnnn1)Nc1cc(Br)c(F)cc1Cl 81659493 DRZJNKZYUNIEMB-UHFFFAOYSA-N 334.536 1.867 0 40 EDAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 8231503 HVMZBTRMNFTIQJ-XIKOKIGWSA-N 347.415 1.767 0 40 EDAB Cc1noc([C@H](C)N2CCN(Cc3cccc(C(N)=O)c3)CC2)n1 69387118 YXTXLIDDOHHGCL-LBPRGKRZSA-N 329.404 1.356 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@]2(CC1)CN(C)C(=O)O2 72157385 QENLDODGJWWDNQ-GOSISDBHSA-N 348.447 1.803 0 40 EDAB CS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 96407475 QINRPFRXZCDCLH-NXEZZACHSA-N 332.372 1.124 0 40 EDAB CO[C@@H](C)c1noc(CN2CCCN(Cc3cccnc3)CC2)n1 96455924 FRCFZQWNVFMTMO-AWEZNQCLSA-N 331.420 1.880 0 40 EDAB Cn1c([C@@H]2CCCN2C(=O)[C@H]2CCS(=O)(=O)C2)nc2ccccc21 71839178 QBWLLBYQZVYLFX-WFASDCNBSA-N 347.440 1.672 0 40 EDAB COCCN1CCN([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 71886882 JPGBKVUDNZUNKZ-IAGOWNOFSA-N 333.476 1.559 0 40 EDAB NC(=O)C1CCN(C(=O)Nc2nc(-c3cccnc3)cs2)CC1 71849601 DFPJSSYIVUDHPU-UHFFFAOYSA-N 331.401 1.934 0 40 EDAB O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCN2CCCC[C@@H]2C1 71839833 JWFNZDRIRNWZHB-IAGOWNOFSA-N 340.431 1.154 0 40 EDAB CCCNC(=O)CCCC(=O)OC1CCC(NC(=O)NCC)CC1 71920426 NEJAYWOJEDUDPM-UHFFFAOYSA-N 341.452 1.856 0 40 EDAB CN(CC1(O)CCCC1)c1cc(N(C)CC2(O)CCCC2)ncn1 97096983 YHPYUEGARIJTNI-UHFFFAOYSA-N 334.464 1.959 0 40 EDAB C[C@@H](NC[C@@H]1CCc2nncn2C1)C(=O)N1CCc2sccc2C1 72252909 PUURSDPNDGFPEU-OLZOCXBDSA-N 345.472 1.465 0 40 EDAB O=C1O[C@H](C(=O)N2CCC[C@H](n3cncn3)C2)Cc2ccccc21 72234778 BGSRUQYKNPDZBN-ZFWWWQNUSA-N 326.356 1.223 0 40 EDAB O=C(c1ccc(Br)o1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269087 KRLBXAOKZFWENM-WDEREUQCSA-N 343.221 1.713 0 40 EDAB CN(C)CCC1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 72276167 IEMLADZIPBSYLO-INIZCTEOSA-N 333.480 1.606 0 40 EDAB O=C1NC(=O)[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3)C2)N1 72290686 BLNXSKYUBHRQRG-XHBSWPGZSA-N 333.775 1.254 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CCC[C@H]1C(N)=O 78879345 ZJMOSTWNPYIBJY-CVEARBPZSA-N 334.464 1.859 0 40 EDAB Cc1nn(CCO)c(C)c1CNCc1ccnc(N2CCOCC2)c1 97159889 FUTRWUIVOHBWBX-UHFFFAOYSA-N 345.447 1.014 0 40 EDAB CC[C@@H](C)c1ccccc1OCC(=O)N1CC[C@@H](OCC(N)=O)C1 72312697 WBWCVMQCGRDPJJ-ZIAGYGMSSA-N 334.416 1.682 0 40 EDAB C[C@@H]([C@@H](C)O)S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2)c1 78833398 RXMAGKPZOYHHFH-KGLIPLIRSA-N 339.457 1.997 0 40 EDAB CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(=O)n(C)n2)C12CCCCC2 78874906 RFLUSDPDABIBBG-GJZGRUSLSA-N 333.432 1.980 0 40 EDAB c1cnnc(NC[C@@H]2CN(Cc3nnc(C4CCC4)o3)CCO2)c1 78894023 ZRKMGHSDTIMHJE-CYBMUJFWSA-N 330.392 1.440 0 40 EDAB COc1cc(OC)cc(C(=O)N[C@@](C)(C(N)=O)c2ccccc2)c1 84656405 FRFKEOSMRYMHPT-GOSISDBHSA-N 328.368 1.834 0 40 EDAB C[C@@H](O)CCN(C)S(=O)(=O)c1ccccc1OC(F)(F)F 84637235 QBHATKSKFXGVNI-SECBINFHSA-N 327.324 1.977 0 40 EDAB CN(C)c1nc[nH]c(=O)c1NC(=O)c1cnc2ccc(F)cc2c1 95444086 YXBYHIVYFRAQBO-UHFFFAOYSA-N 327.319 1.776 0 40 EDAB Cc1cccc(N2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)[C@@H](C)C2)n1 95449697 VAOFJZOATSSETH-LBPRGKRZSA-N 341.415 1.441 0 40 EDAB CSCC[C@H](OC(=O)c1ccc(N2CCOC2=O)cc1)C(N)=O 79111807 PCGFLZOGJUOCHL-LBPRGKRZSA-N 338.385 1.407 0 40 EDAB Cc1cc(NC(=O)CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)n(C)n1 95984512 WZDMWVNTDPLFDI-GFCCVEGCSA-N 341.415 1.903 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc(OCC(F)F)n1 89738402 KIUGIUASFRFMSJ-NSHDSACASA-N 327.331 1.466 0 40 EDAB O=c1cc(CN2CCn3c(nnc3-c3ccccc3)C2)[nH]c2ccnn12 72900221 SBMIITOMHPYEDX-UHFFFAOYSA-N 347.382 1.297 0 40 EDAB Cc1nc(C(=O)N2CCN(C)C(C)(C)C2)nn1-c1ccc(F)cc1 556803296 GDVZWJJESLMCIR-UHFFFAOYSA-N 331.395 1.881 0 40 EDAB COC(=O)[C@@H]1Oc2ccc(Br)cc2-c2nc(=O)[nH]cc21 72207116 JUXBJQRAAQFSEX-LLVKDONJSA-N 337.129 1.806 0 40 EDAB C[C@H](c1cccnc1)N1CCN(C(=O)NCc2cnn(C)c2)CC1 79355142 LRROTAKOCLYYHF-CQSZACIVSA-N 328.420 1.404 0 40 EDAB CN1CCN(C(=O)c2ccn(COc3cccc(Cl)c3)n2)CC1 32610872 AJTQGRQVDFWRBQ-UHFFFAOYSA-N 334.807 1.961 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC2(COC(C)(C)OC2)C1 70971830 UKCCIHOPJFLFFG-SWLSCSKDSA-N 333.384 1.826 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1cccc(F)c1 72241741 RJQQVLYCMUDKFG-DLBZAZTESA-N 343.358 1.435 0 40 EDAB Cc1cccc(C(=O)N2CCC[C@@](C)(c3[nH]ncc3C(N)=O)C2)n1 72388825 WKGHPVCMKXGGDG-QGZVFWFLSA-N 327.388 1.406 0 40 EDAB Cc1nc(CN(C)C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)no1 183342234 LWQWAXLJBHORFA-MRVPVSSYSA-N 343.309 1.883 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CSc3nccc(=O)n3C2)c(OC)c1 85473985 HBKZZGBPSGGTJT-JTQLQIEISA-N 347.396 1.621 0 40 EDAB CC(C)n1cc(N2Cc3nc(N4CCOCC4)ncc3C2=O)cn1 46087977 MGBZLXVNFLZLRN-UHFFFAOYSA-N 328.376 1.251 0 40 EDAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](Oc2cccnn2)C1 225457995 QOPYLAASCSNHBY-CYBMUJFWSA-N 337.376 1.848 0 40 EDAB Cc1cc(C)n(CCNC(=O)[C@H](C)n2cc3c(n2)c(C)nn3C)n1 40715010 RALJLJDCLZQCPT-ZDUSSCGKSA-N 329.408 1.269 0 40 EDAB O=C(Cc1noc2ccccc12)NCCn1nnc2ccccc2c1=O 225796731 UYRXPIZLUGOYJU-UHFFFAOYSA-N 349.350 1.292 0 40 EDAB Cc1nnsc1C(=O)NCCn1nc(-c2ccco2)ccc1=O 48985236 ZNOIXXCLRYFMTG-UHFFFAOYSA-N 331.357 1.093 0 40 EDAB Cc1cccc2c(CCNS(=O)(=O)N3CCO[C@@H](C)C3)c[nH]c12 96453021 PROSVRQTQGKIBG-ZDUSSCGKSA-N 337.445 1.574 0 40 EDAB COc1cc(C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)on1 583622045 HEBLTQBIIJZVLR-WDEREUQCSA-N 349.391 1.416 0 40 EDAB CO[C@@H]1CN[C@H](C(=O)NCCc2cc(Br)ccc2F)C1 583618024 VVPLILKRQZWWKS-AAEUAGOBSA-N 345.212 1.624 0 40 EDAB COc1cc(N2CCOC[C@@H]2c2nccc(N3CCCC3)n2)ncn1 96220059 YYDLAALRWOMUKM-CYBMUJFWSA-N 342.403 1.453 0 40 EDAB Cc1csc(NC(=O)c2cccc(OCc3nnnn3C)c2)n1 96193038 ZNKIAURDFFKWRP-UHFFFAOYSA-N 330.373 1.806 0 40 EDAB c1ccc2c(N3CCc4ncnc(N5CCOCC5)c4C3)ncnc2c1 97202243 GMONMHVWAOOBEY-UHFFFAOYSA-N 348.410 1.819 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)N1CCCC1)C2 96227067 JFEISZMGWMSXHX-CRAIPNDOSA-N 328.416 1.626 0 40 EDAB COCCn1ccc(NC(=O)[C@@H]2CCCCN2Cc2cccnc2)n1 96410079 VRJUASBPTOJJHI-INIZCTEOSA-N 343.431 1.918 0 40 EDAB CC(C)Cn1ncnc1CN1CCN(C2=NCC(C)(C)S2)CC1 96497123 BRIXOSHCZOSUSM-UHFFFAOYSA-N 336.509 1.933 0 40 EDAB CCn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1ccncn1)C2 96198370 LXENNQPMMOBSKF-HNNXBMFYSA-N 341.415 1.859 0 40 EDAB CCn1nc(C)cc1C(=O)N1CC[C@H]2O[C@@H](c3nc(C)no3)C[C@H]2C1 96043647 QSIKSEAVPIVLJV-NWANDNLSSA-N 345.403 1.895 0 40 EDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)c2ccccn2)CC12CCOCC2 96052160 DMKXVDSEDZXHBU-HNNXBMFYSA-N 343.427 1.477 0 40 EDAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@@H]12)N1CCOCC1 96207421 FCQIOIALVJQFEO-KURKYZTESA-N 345.443 1.167 0 40 EDAB CCN(CC)c1ccnc([C@H]2COCCN2C(=O)c2ccncn2)n1 96215739 JHQMPDUBXPSYAZ-CQSZACIVSA-N 342.403 1.327 0 40 EDAB O=C(NCC[S@@](=O)c1ccccc1)NC[C@H](O)c1ccsc1 96417778 SWJSFMAMWQWGGB-FPTDNZKUSA-N 338.454 1.889 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)Cc4ccccn4)C[C@H]3C2)cs1 96063650 ZMFZGBGWTGCABA-GASCZTMLSA-N 342.468 1.979 0 40 EDAB C[C@@H](CNC(=O)NC[C@H]1CCS(=O)(=O)C1)Cc1cccs1 96437726 RVMCPUDZCSTCLY-VXGBXAGGSA-N 330.475 1.661 0 40 EDAB Cn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)Cc1ccsc1)C2 96045478 MMWRLNIQWWPEGY-CQSZACIVSA-N 346.456 1.972 0 40 EDAB CCc1noc(C2CCC(NC[C@](C)(O)c3cnn(C)c3)CC2)n1 97234822 YAPIZEHUQTVBFB-AJUCZRQESA-N 333.436 1.889 0 40 EDAB O=c1cc(CN2CCCC2)nc2n1CCCN(Cc1cccnc1)C2 96059580 PIESHTXWBUYTAW-UHFFFAOYSA-N 339.443 1.640 0 40 EDAB Cn1ccnc1C(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 248116655 IUZMSGJQEPKKMD-UHFFFAOYSA-N 330.432 1.675 0 40 EDAB COCC(=O)NCC[C@H]1CN(Cc2cccc(C)c2)Cc2ccnn21 247880153 BWXZEHZSVCTAMF-KRWDZBQOSA-N 342.443 1.901 0 40 EDAB Cc1nnc(N2CC3(CC[C@@H](CNc4ncccn4)CO3)C2)s1 248044246 URFIMEPOWCQNHC-LBPRGKRZSA-N 332.433 1.734 0 40 EDAB O=C(c1cnc(O)c2ccccc12)N1CCOC[C@@H]1c1nc[nH]n1 585082183 XHOKNYPLMOZKTD-CYBMUJFWSA-N 325.328 1.272 0 40 EDAB CC[C@@H](Sc1ccccc1)C(=O)NCC(=O)Nc1ccn(C)n1 585079638 CZRKTMLHBBYAHX-CYBMUJFWSA-N 332.429 2.046 0 40 EDAB CCn1c(CN(C)CCO)nc(Br)c1Br 585136348 BHPVQCHVWXTYMF-UHFFFAOYSA-N 341.047 1.852 0 40 EDAB CN1CC[C@](Cc2ccccc2)(C(=O)NCc2nccs2)C1=O 585121054 DORYBQGNSQBAMI-KRWDZBQOSA-N 329.425 1.851 0 40 EDAB Cc1noc(C)c1[C@H](C)CNC(=O)[C@H]1COCCN1CC(F)(F)F 252551734 UGHXREVOMCJWCS-BXKDBHETSA-N 349.353 1.774 0 40 EDAB Cc1cccc(N2CCC[C@H](N(C)C(=O)c3ccc(=O)n(C)c3)C2)n1 257259626 KZFONGVEOJZKHH-INIZCTEOSA-N 340.427 1.830 0 40 EDAB COc1ccc(F)cc1C(=O)N1CCO[C@H](c2cc(O)nc(C)n2)C1 257270969 MWJHMWBVKJRHBH-HNNXBMFYSA-N 347.346 1.852 0 40 EDAB O=C([C@@H]1CCOC1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 252506638 WBVWNLQODSRXKN-UKRRQHHQSA-N 328.372 1.204 0 40 EDAB COc1cccc2c1OC1(CCN(CC(N)=O)CC1)[C@H]1CCCO[C@H]21 257296770 REIICEKBTIUXHV-WMLDXEAASA-N 346.427 1.875 0 40 EDAB O=C(NC[C@H](O)CN1CCCC1=O)c1ccc(Cl)c2occc12 1615044400 AJIPDLPCBCCJEB-JTQLQIEISA-N 336.775 1.799 0 40 EDAB O=C(CCCN1CCOC1=O)NCc1cccc(C(F)(F)F)n1 1615627245 IEOGCYTZHRWPFB-UHFFFAOYSA-N 331.294 1.949 0 40 EDAB CCCCS(=O)(=O)N1CC(c2ncc(Br)cn2)C1 1616033016 ZATFUDZOPHYDSM-UHFFFAOYSA-N 334.239 1.768 0 40 EDAB CO[C@H]1CCCCC[C@@H]1S(=O)(=O)NCCNc1ncccn1 1616000742 QXOXWGGABIYOCT-STQMWFEESA-N 328.438 1.156 0 40 EDAB CN1CCc2cc([C@@H](O)CNC(=O)c3ccc4c(c3)OCO4)ccc21 96362261 OUBHKECWTDQYKN-INIZCTEOSA-N 340.379 1.871 0 40 EDAB O=C(c1ccno1)N1CCC(n2cnc3ncccc3c2=O)CC1 390831595 STLNFRRCOJWFFT-UHFFFAOYSA-N 325.328 1.257 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc(C)cn2)Cc2cccn2C1 585099057 HBUTUMSYMUFBFQ-AWEZNQCLSA-N 326.400 1.600 0 40 EDAB CC(C)CCN1C[C@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@@H]2C1 585106054 HYKZELXHDXOWSL-HZPDHXFCSA-N 343.475 1.540 0 40 EDAB Cc1ccc(OC[C@@]2(O)COCCN(Cc3cnccn3)C2)cc1 585269466 VMBVRKVPRLYCGR-SFHVURJKSA-N 329.400 1.427 0 40 EDAB O=C(Cc1ccncc1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585279232 XSTQIUFYDLRFOY-SFHVURJKSA-N 330.359 1.806 0 40 EDAB CCc1cccc(OC[C@@H](O)CN2C(=O)[C@@H]3CCCCN3C2=O)c1 58441281 YITSHZIXNGBJOT-HOCLYGCPSA-N 332.400 1.805 0 40 EDAB CCS(=O)(=O)CCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1ccsc1 69492041 AAIJAWFQTXVWAL-DGCLKSJQSA-N 345.442 1.547 0 40 EDAB O=C(NCCNc1ncccn1)c1ccc(-n2cccn2)c(F)c1 69896614 LPCKYGQKXGLXMW-UHFFFAOYSA-N 326.335 1.643 0 40 EDAB O=C(c1cnn2c1OCCC2)N1CCN(CCc2ccccc2)CC1 85555351 NSPOXZZWAXJJQI-UHFFFAOYSA-N 340.427 1.666 0 40 EDAB CCOc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCn3ncnc3C1)CCO2 1615550947 QOPIQJFAAGFXIK-WFASDCNBSA-N 342.399 1.879 0 40 EDAB Cn1cnc(S(=O)(=O)NCC2(c3ccsc3)CCOCC2)c1 952985923 CNWMXEUEACKJHH-UHFFFAOYSA-N 341.458 1.508 0 40 EDAB O=C(O)/C=C/C(=O)Nc1cc2c(cc1Br)OCCO2 1884818 IHGABCUQLKTUNX-OWOJBTEDSA-N 328.118 1.800 0 40 EDAB C/C=C/C(=O)O[C@@H]1C=C[C@H](OC(C)=O)[C@H](O)CCC(=O)O[C@H]1C 1772591551 DXWCPEHGKOCJTG-JQOOETLISA-N 326.345 1.049 0 40 EDAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)CCCn1cncn1 12366153 BXHCJJUCIPJVTK-INIZCTEOSA-N 343.431 1.410 0 40 EDAB O=C1CNC(=O)N1CCCOc1cc(F)ccc1Br 153649317 KXAWAGZPKVKOTG-UHFFFAOYSA-N 331.141 1.909 0 40 EDAB CC[C@@H](O)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O 156191885 VYPDQOLYKLPQDF-YMTOWFKASA-N 341.205 1.987 0 40 EDAB CC(C)CC(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 4583333 CVSGXPOLOUWRGT-UHFFFAOYSA-N 333.436 1.008 0 40 EDAB Cc1nccn1CC1(O)CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 19287912 RBAFLVCZPFMCLW-HOTGVXAUSA-N 348.491 1.523 0 40 EDAB CN([C@@H]1CCN(c2cnc3ccccc3n2)C1)S(=O)(=O)C1CC1 1888865665 KTBWDOVFIJOZBS-GFCCVEGCSA-N 332.429 1.633 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)N1CC[C@](O)(CN2CCOCC2)C1 1848352035 MSNKWVBSAYEYSD-IBGZPJMESA-N 343.427 1.006 0 40 EDAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)c1cccs1 40090233 DSYROOHHEPERNE-LLVKDONJSA-N 339.442 1.641 0 40 EDAB Cn1cnc(C(=O)N2CC(c3ncn4ccc(-c5ccoc5)cc34)C2)n1 1565554707 XOGRUZVGRIWYAH-UHFFFAOYSA-N 348.366 1.962 0 40 EDAB COc1ccccc1CNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1 5250921 JNXFGIXRUGROIM-UHFFFAOYSA-N 341.367 1.909 0 40 EDAB COc1ccc(CC(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1OC 9820306 DIBBICGGQBZFLZ-HNNXBMFYSA-N 340.379 1.690 0 40 EDAB O=S(=O)(NC[C@H](OCCO)c1ccsc1)c1cccc(F)c1 575619357 DGSYDKHOLNHQID-AWEZNQCLSA-N 345.417 1.916 0 40 EDAB O=C([C@H]1CN(C/C=C/c2ccccc2)CCO1)N1CCSCC1 2298209819 YFQRCQJOYUCPDI-BBOMDTFKSA-N 332.469 1.976 0 40 EDAB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1C)C1=C(COC1=O)N2 7777851 PVVYUQFAILNKQF-GFCCVEGCSA-N 339.351 1.233 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)COc2cccc(OC)c2)CC1 19809554 WXTMPUCBSUNABD-CQSZACIVSA-N 338.404 1.209 0 40 EDAB OCCNc1nc(N2CCCC2)nc2c1cnn2-c1ccc(F)cc1 36656924 BBFRSJGAEJIMRE-UHFFFAOYSA-N 342.378 1.959 0 40 EDAB O=C(C[C@@H](C(=O)O)[C@@H]1CCCO1)NCCc1ccc2c(c1)OCO2 2291007 LYCIEYFODKZDIE-OLZOCXBDSA-N 335.356 1.344 0 40 EDAB biogenic CC(C)N(C)C(=O)C1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 30273219 BJPBXASTHZLMFG-GFCCVEGCSA-N 349.483 1.160 0 40 EDAB COc1ccc2c(c1)[nH]c1c(=O)n(CCCN3CCOCC3)cnc12 20267365 UQSJPGVBXSDYJG-UHFFFAOYSA-N 342.399 1.609 0 40 EDAB CC[C@@](C)(CNC(=O)NCc1cccnc1OC)N1CCOCC1 31163304 APSSFGWYIUTYEX-KRWDZBQOSA-N 336.436 1.390 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1CN1CCC[C@@H](C(F)(F)F)C1 40467743 KYXXKZPJJSACOW-SKDRFNHKSA-N 337.367 1.646 0 40 EDAB C[C@H]1CCCN(C(=O)CS(=O)(=O)Cc2noc(C(C)(C)C)n2)C1 40528949 NSKULIJTRQQHJS-NSHDSACASA-N 343.449 1.540 0 40 EDAB C[C@@H](C(=O)O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 51658908 UYSXZNPPJNFSLK-JTQLQIEISA-N 332.809 1.119 0 40 EDAB CC(C)c1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)cc1 236652 UKJINBDOLJBXGT-INIZCTEOSA-N 343.427 1.639 0 40 EDAB CC(C)CN1C[C@H](C(=O)NCCNC(=O)c2ccccc2)CC1=O 29788348 GGUWEUPVJOSTRL-OAHLLOKOSA-N 331.416 1.037 0 40 EDAB Cc1ccc(C)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 3412030 XUNIJHOGEHJWLD-UHFFFAOYSA-N 332.425 1.923 0 40 EDAB NC(=O)N[C@@H](CC(=O)NC1=NCCS1)c1ccc(Cl)cc1 8231858 QDXBFLRXGPXZHJ-JTQLQIEISA-N 326.809 1.659 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3[C@H]4[C@@H]5[C@H]3[C@]13CC=CC[C@@]53[C@@H]42 101043546 VJTMZINAWGVKDV-BUVRJRCXSA-N 331.375 1.739 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 32907745 GARZXPOAEVTFTK-ZJUUUORDSA-N 347.337 1.542 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cn(-c3cccc(C)c3)nn2)CC1 70004228 KPXWUBAHIWBXQW-INIZCTEOSA-N 343.431 1.104 0 40 EDAB COc1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)c(OC)c1 16960941 GOOFIVYIBFFZFI-GFCCVEGCSA-N 328.390 1.066 0 40 EDAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCOc2ccccc21 103100530 GUSGTKJQLUYHKK-ZIAGYGMSSA-N 342.395 1.977 0 40 EDAB CN(C)[C@H](CNC(=O)CCN1C(=O)CCC1=O)c1cccc(F)c1 27593505 YBKIMWIPGBNKFQ-CQSZACIVSA-N 335.379 1.084 0 40 EDAB Cc1cc(C)n2cc(CN3CCO[C@@H](Cn4cccn4)C3)nc2n1 69391668 VCVJVMJVXSEOHZ-MRXNPFEDSA-N 326.404 1.444 0 40 EDAB Cn1cncc1CN1CCC2(CC(NC(=O)c3cccnc3)C2)C1 108526576 CBBUYRATVCOGGX-UHFFFAOYSA-N 325.416 1.600 0 40 EDAB O=C1CNC(=O)N1Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 53846154 MSABHXUZVKSEJF-UHFFFAOYSA-N 334.335 1.642 0 40 EDAB in-vitro O=C(O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 814710 PIWOWQLDUIQIIA-UHFFFAOYSA-N 334.309 1.620 0 40 EDAB CC(C)/N=c1\ccccn1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 104722206 QLSXFAZRBGOHMA-XMHGGMMESA-N 344.415 1.692 0 40 EDAB CC[C@](C)(CNC(=O)Cc1noc2ccccc12)N1CCOCC1 42775797 RYAYTZILFGNNSS-GOSISDBHSA-N 331.416 1.987 0 40 EDAB O=C(CN1CCCS1(=O)=O)OCc1ncc(-c2ccccc2)o1 61507312 XGPXEDCCSLBYCW-UHFFFAOYSA-N 336.369 1.420 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](c1ccc(F)cc1)C1CCCC1 47384087 JSCWEYJLZKSPKV-KRWDZBQOSA-N 345.374 1.723 0 40 EDAB Cn1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cn1 24179731 KNTPEMIFVJEQJS-UHFFFAOYSA-N 342.399 1.149 0 40 EDAB COCCN1CC[C@]2(CCCN(C(=O)c3cnoc3C)CC2)C1=O 108529185 IJCMGBKTVDLYIZ-QGZVFWFLSA-N 335.404 1.474 0 40 EDAB CCc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cnn1-c1ccc(OC)nn1 24480046 LXWDRASAORGTBJ-VXGBXAGGSA-N 345.403 1.483 0 40 EDAB CC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 55218885 FLIDDKZLAIJUSF-UHFFFAOYSA-N 333.413 1.478 0 40 EDAB C[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc2cnccc12 55241084 GJEHWLOALYOBFC-CYBMUJFWSA-N 335.429 1.234 0 40 EDAB CCCNC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 24858779 HDEYHIHLHIMVGK-OAHLLOKOSA-N 331.460 1.930 0 40 EDAB c1cn(-c2ccc(-c3ccnc4nc(N5CCOCC5)nn34)cc2)cn1 1389302 ZARULVGPXMTXBJ-UHFFFAOYSA-N 347.382 1.814 0 40 EDAB CN(CC(N)=O)CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 47628688 MXHLIQCANNZKFJ-UHFFFAOYSA-N 335.423 1.904 0 40 EDAB COc1ccc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cc1F 25054910 JSZKAJNZPJUQND-UHFFFAOYSA-N 340.376 1.295 0 40 EDAB CCSc1nnc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)s1 101677672 PBRWTBFTFGJNAE-HSNKUXOKSA-N 327.387 1.243 0 40 EDAB C[C@@H](NC(=O)NCCNc1ncccn1)c1ccc2c(c1)OCCO2 43482494 JKRQKTBLQLJBRJ-GFCCVEGCSA-N 343.387 1.720 0 40 EDAB Cn1cc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cn1 25307119 JUGHZQCLHCAKLX-UHFFFAOYSA-N 342.380 1.721 0 40 EDAB Cc1cccnc1NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 12552621 LLJOATKZTPWLSC-CQSZACIVSA-N 341.346 1.588 0 40 EDAB COc1cccc([C@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)c1 57399392 MUUKOVLHOPXRSH-MRXNPFEDSA-N 329.400 1.430 0 40 EDAB O=c1n(CN2CCN(c3ccc(F)cc3)CC2)nc2n1CCCCC2 12549010 LMGLHYCICRCNQI-UHFFFAOYSA-N 345.422 1.690 0 40 EDAB CN(C)S(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(F)cc1 20245002 XZKUQHGEMCYJQM-UHFFFAOYSA-N 343.424 1.497 0 40 EDAB Cc1ccc([C@@H](CNC(=O)N2CCSCC2)N2CCOCC2)o1 44967260 HOKSMBGEHFCOTG-CQSZACIVSA-N 339.461 1.720 0 40 EDAB CN1C[C@H](C(=O)NCc2cccnc2OCC(F)(F)F)CC1=O 44912834 LLOHURWCOBXASU-SNVBAGLBSA-N 331.294 1.117 0 40 EDAB CCn1cc(NC(=O)C2CCN([C@@H](C)C(=O)NC(C)(C)C)CC2)cn1 58340992 VHBLGRGOJFAROT-ZDUSSCGKSA-N 349.479 1.857 0 40 EDAB CC(C)CN1C(=O)N[C@@](NC(=O)c2ccccc2)(C(F)(F)F)C1=O 2207680 OYBUCLVFDWGZCW-CQSZACIVSA-N 343.305 1.883 0 40 EDAB CC1(C)Cc2c(sc3nc(NCCCO)n4ncnc4c23)CO1 2372843 OECVDGNWQOIKHJ-UHFFFAOYSA-N 333.417 1.985 0 40 EDAB CC(C)(C)c1ccc(COC(=O)CN2CCS(=O)(=O)CC2)cc1 58916830 ADKKCRQCQQAWLY-UHFFFAOYSA-N 339.457 1.758 0 40 EDAB CN(C(=O)CNc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 11124352 VWHFFXUVZNIYDY-INIZCTEOSA-N 332.425 1.897 0 40 EDAB CCn1cnnc1CNC(=O)NCc1ccc(N2CCCCC2)nc1 48262927 NPNIMFSLWCCGAS-UHFFFAOYSA-N 343.435 1.683 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCCc3cccnc3)CC2)on1 48250923 LUEBMXRAEUWPPG-UHFFFAOYSA-N 329.404 1.448 0 40 EDAB Cn1ccnc1[C@H](NC(=O)NCCCC(N)=O)c1cccc(F)c1 48290956 FIXLPDAQAQQHTL-CQSZACIVSA-N 333.367 1.213 0 40 EDAB CCCn1nc(C(=O)O[C@@H]2C[C@H](C)OC2=O)c2ccccc2c1=O 12785475 TZRGIDRDZNLPEV-GXFFZTMASA-N 330.340 1.667 0 40 EDAB COc1nccnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 69442016 KMKVTAWUZLMMGK-AWEZNQCLSA-N 333.436 1.008 0 40 EDAB OCCN1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 69419900 AZEOLIVVZGNDJD-AWEZNQCLSA-N 329.238 1.092 0 40 EDAB Cc1cccnc1NC(=O)[C@@H]1CCCN(c2ncnc3[nH]ncc23)C1 48325399 HTDCFEBNNPVVLI-GFCCVEGCSA-N 337.387 1.911 0 40 EDAB CCOc1ncccc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69489274 IOLCQZWVGFICEG-UHFFFAOYSA-N 343.431 1.562 0 40 EDAB O=C(CN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)NCC1CC1 69489079 ICOBIRCJOFYLQM-OAHLLOKOSA-N 334.395 1.548 0 40 EDAB CN(Cc1cccs1)C(=O)CN1CCC[C@@H](Cn2cncn2)C1 69808032 FOCAWLMAFDFKRS-CQSZACIVSA-N 333.461 1.710 0 40 EDAB CCNC(=O)c1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)nn1 91627848 NIPZCFJEUWIING-LBPRGKRZSA-N 341.419 1.537 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C(N)=O)C1 69594085 PNYJLBVAMHXIIO-NWDGAFQWSA-N 325.409 1.110 0 40 EDAB COC(=O)CNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 69586565 DVFOOTWBIYDRTD-UHFFFAOYSA-N 344.289 1.735 0 40 EDAB COc1ccc(N2CN(CCCO)Cn3c2nc(C)c(C)c3=O)cc1 38829940 YWUSOUQVWHHXEK-UHFFFAOYSA-N 344.415 1.620 0 40 EDAB O=C(c1cc[nH]n1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 69532160 FDPDOEZUVDJMFA-UHFFFAOYSA-N 336.754 1.800 0 40 EDAB CCOc1ccc2c(c1)C[C@@H](C(=O)NCCC(=O)N1CCCC1)CO2 69507819 YYBDHJRENLVIST-OAHLLOKOSA-N 346.427 1.765 0 40 EDAB O=C(CN1CCCC[C@H]1Cn1cncn1)NCCc1ccsc1 69564450 DSPIOZRIFQDMNJ-HNNXBMFYSA-N 333.461 1.553 0 40 EDAB NC(=O)c1ccccc1NC(=O)COc1ccc2ccc(=O)oc2c1 4089933 XCHCPCWJVRGINS-UHFFFAOYSA-N 338.319 1.909 0 40 EDAB biogenic C[C@@H](C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1)n1ccnc1 69923401 RMTJQEBCUSRENE-RDJZCZTQSA-N 328.416 1.322 0 40 EDAB Cc1ccc(NC(=O)COc2ccc(C(=O)NCCO)cc2)cc1F 69970878 TXBVDVFVMGJAKG-UHFFFAOYSA-N 346.358 1.874 0 40 EDAB O=C(CN[C@@H]1CCCN(c2cccnn2)C1)NCc1ccc(F)cc1 69923315 WKUXCTAWJXVRFF-MRXNPFEDSA-N 343.406 1.491 0 40 EDAB CCCn1nnnc1COC(=O)[C@H](C)N1CCc2ccccc2C1 69977979 PDXCPIZIRZUINK-ZDUSSCGKSA-N 329.404 1.573 0 40 EDAB O=C(c1ccncc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 65487900 LQUWBAHDKYMQOJ-UHFFFAOYSA-N 349.398 1.015 0 40 EDAB c1ccc2c(c1)OC[C@@H](CNCc1cnc(N3CCOCC3)nc1)O2 65465599 KNZSRTJIKFJAQQ-OAHLLOKOSA-N 342.399 1.243 0 40 EDAB CC[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 65418997 GNBFKYSQTBKTCB-DOMZBBRYSA-N 340.445 1.880 0 40 EDAB COCC(=O)N1CCN(Cn2ncnc2-c2ccccc2Cl)CC1 65459589 XIOYWQHWUIJIFL-UHFFFAOYSA-N 349.822 1.347 0 40 EDAB Cc1ccccc1CCNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 65521696 ULQCEYKQABLCBO-MRXNPFEDSA-N 345.424 1.384 0 40 EDAB CCc1ccc([C@@H](C)NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 14196435 BPFOFQNTQRTZNN-GFCCVEGCSA-N 339.399 1.570 0 40 EDAB CN(C)CCNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6670098 LFPAVQLTSITVKT-UHFFFAOYSA-N 340.449 1.381 0 40 EDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NCCC(C)C 4704335 FCEMDCNYOAXUIG-MRXNPFEDSA-N 348.443 1.829 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)no1 4890399 LRPCDQSYQKMSGQ-UHFFFAOYSA-N 343.339 1.905 0 40 EDAB COCCn1c(=O)[nH]c(=O)c2c(C)cc(-c3ccc(F)cc3)nc21 7064292 GOYBJWAUFFDBBJ-UHFFFAOYSA-N 329.331 1.846 0 40 EDAB CCCNC(=O)c1nsc(C(=O)NCCc2ccccc2)c1N 67334912 JJLFYGLQIHHHMU-UHFFFAOYSA-N 332.429 1.838 0 40 EDAB CC(C)[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(F)cc1 9112640 VFALQKZFJTXJGL-SNVBAGLBSA-N 336.396 1.931 0 40 EDAB CN(CCN1CCCC1=O)C1CCN(CCc2ccccn2)CC1 80969129 QBJAEWCAFVMVPX-UHFFFAOYSA-N 330.476 1.643 0 40 EDAB Cc1nnc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)s1 16695119 XLEGTABJPMSDMH-RTHLEPHNSA-N 337.405 1.286 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)NCCc2ccccc2)C1=O 9483782 UEQUOFBFKKMUJM-ZDUSSCGKSA-N 335.429 1.019 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccnc(N3CCCC[C@@H]3C)c2)CCO1 72295783 NFELPJQQKNSVIB-HOCLYGCPSA-N 333.432 1.948 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)no1 72232047 IWHYDDIUWOYLSV-ZDUSSCGKSA-N 330.388 1.590 0 40 EDAB O=C([C@H]1CCCN([C@@H]2CCN(CC(F)(F)F)C2=O)C1)N1CCCC1 96411482 QXPXOWMLEYGTJF-QWHCGFSZSA-N 347.381 1.484 0 40 EDAB COCCc1nsc(N2CCN(c3cc(C)nc(C)n3)CC2)n1 96455778 CPCSRUQYCBXXOR-UHFFFAOYSA-N 334.449 1.460 0 40 EDAB COc1c([C@@H]2CCCN2CC(=O)Nc2cc(C)on2)c(C)nn1C 72253658 RPWQPUNMUMDSLN-LBPRGKRZSA-N 333.392 1.809 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)CC1 71871299 AJRCNXZLAPNKCG-GFCCVEGCSA-N 346.349 1.609 0 40 EDAB Cc1ccc([C@H](O)CNCc2cnc(N3CCOCC3)nc2)cc1 71819646 JQYGDQRPTLYHJN-QGZVFWFLSA-N 328.416 1.445 0 40 EDAB CN(Cc1nc2ccccc2s1)C[C@@H](O)CN1C(=O)CCC1=O 71898294 NODJDXLOKRGFQY-LLVKDONJSA-N 333.413 1.238 0 40 EDAB Cc1ccc2nc(C)cc(C(=O)N3CCN(C[C@@H](C)O)CC3)c2c1 71871162 ZVGCBSKPZPNPDE-OAHLLOKOSA-N 327.428 1.990 0 40 EDAB C[C@H](CN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cnn(C)c1)Cn1cccn1 71857722 IPERONWWZGFTHG-JGGQBBKZSA-N 345.403 1.317 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CNC[C@H]2CCc3nncn3C2)c1C 72252924 MIRCRGDEHPQBLK-IAGOWNOFSA-N 344.459 1.795 0 40 EDAB Cc1cc(C)c(CNC(=O)C[C@H]2Oc3ccccc3NC2=O)c(=O)[nH]1 72240620 LILDDHFRYORVBT-OAHLLOKOSA-N 341.367 1.398 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCc3nnc(N(C)C)cc3C2)cs1 72279523 SWSHJRJWCWZIBE-UHFFFAOYSA-N 346.416 1.156 0 40 EDAB COc1ccccc1OCCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 72268927 DMMSRZWDAOBOFG-JKSUJKDBSA-N 348.443 1.522 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@H]1Cc2ccccc2O1 72283888 XRKZTTNYGCKZCJ-OAHLLOKOSA-N 338.367 1.259 0 40 EDAB CNC(=O)[C@H]1CCCN(C[C@H](O)COc2cc(C)ccc2Cl)C1 97109375 MLFVVIVGFOBILE-KBPBESRZSA-N 340.851 1.846 0 40 EDAB Cn1c(=O)/c(=C/c2ccc(C(=O)O)cc2)s/c1=C/C(=O)C(C)(C)C 96759208 WWUHTZQZPPGYAK-AYMWWVTDSA-N 345.420 1.370 0 40 EDAB C[C@H](C(=O)N1CCOCC1)N1CCN(CCc2ccccc2F)CC1 97162426 KOKRSEADDPFORO-MRXNPFEDSA-N 349.450 1.233 0 40 EDAB CCN1CCCC[C@@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 75583820 SBVMEIUFFVFRSP-MRXNPFEDSA-N 330.432 1.436 0 40 EDAB O=C(CCc1ccccc1)N1CCN(Cc2cc(=O)c(O)co2)CC1 95398973 GHKSXBRYJKLBSA-UHFFFAOYSA-N 342.395 1.622 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1nnnn1-c1ccccc1 84789164 JVDOHKXQIBTCCD-DZGCQCFKSA-N 343.435 1.507 0 40 EDAB Cc1cc(=O)c(OCC(=O)N2CCO[C@@H](c3ccccc3)C2)cn1C 95475211 ZDNJDFMRFOXCOV-QGZVFWFLSA-N 342.395 1.673 0 40 EDAB COC(=O)C[C@H]1CN(c2ncc(Br)cc2C)CCO1 95412143 MGPWLCXTHPOPPR-NSHDSACASA-N 329.194 1.921 0 40 EDAB COc1ccc2cc(C(=O)N3C[C@H](C)[C@@H](N4CCOCC4)C3)[nH]c2c1 76056206 CMGREMFEVUPBSW-UGSOOPFHSA-N 343.427 1.969 0 40 EDAB C[C@H]1c2cccn2CCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 73544908 SUZDJERTFCREAG-QWRGUYRKSA-N 329.322 1.802 0 40 EDAB CN1CC[C@H](C(=O)NC2CCN(Cc3ccccc3F)CC2)CC1=O 95954025 QINABJHKFIEOJK-AWEZNQCLSA-N 347.434 1.775 0 40 EDAB O=S(=O)(Cc1cccc(F)c1)N1CCC[C@H](Cn2cncn2)C1 95994959 DKFQXWZJRJPFNC-CQSZACIVSA-N 338.408 1.659 0 40 EDAB COC(=O)C1(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 95944613 SBTARYSLYMIFJV-HOCLYGCPSA-N 330.428 1.966 0 40 EDAB Cc1cc([C@](C)(O)CNS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(C)o1 95972911 SOUCCZHCVIOFCD-TYNCELHUSA-N 346.449 1.048 0 40 EDAB CN1CC[C@H](NS(=O)(=O)N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 89375091 BTEZCLCXUOHRKQ-STQMWFEESA-N 335.832 1.620 0 40 EDAB COc1ccc(-c2nc(CS(=O)(=O)C[C@@H]3CCCO3)no2)cc1 89455364 WUVMLYWBSWSDAT-ZDUSSCGKSA-N 338.385 1.839 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)NC[C@@H]1CCCC[C@@H]1O 79066290 KEHTZVDSNOIZOE-HZMBPMFUSA-N 326.343 1.362 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)[nH]n1 89568615 WBKLAECIKQYUNW-DLBZAZTESA-N 326.400 1.444 0 40 EDAB COCc1nnc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)s1 79473712 NRDXMBWERKNJLX-JTQLQIEISA-N 334.405 1.330 0 40 EDAB COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)n(C)c(C)cc1=O 1547205789 GRPJTBWIPRSDQX-GFCCVEGCSA-N 347.367 1.809 0 40 EDAB Cn1cnc(C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)cc1=O 1548442411 CQVLCYFUYNZTBD-SNVBAGLBSA-N 339.804 1.709 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC(C)C)cc1C 408555542 XNYQOVXQNDCWDW-CYBMUJFWSA-N 342.461 1.833 0 40 EDAB CC(C)(CNC(=O)Cc1cnn(-c2ccccc2)c1)N1CCOCC1 41797148 TWJYGKQKOKZRKB-UHFFFAOYSA-N 342.443 1.642 0 40 EDAB C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)c1cc2ccccc2o1 42106277 JTWHNQVWSQJCJW-LBPRGKRZSA-N 336.413 1.340 0 40 EDAB CCN(CC)CCNC(=O)[C@H](C)Cn1cc(Br)cn1 32502494 MVFPMJRKVOGCOO-LLVKDONJSA-N 331.258 1.740 0 40 EDAB CCC[C@@H](NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)O 548529837 NSZCEPQQNNFJAB-SSDOTTSWSA-N 348.764 1.306 0 40 EDAB C[C@@H]1CC[C@@H](NC(=O)Cc2cncn2C)CN1C(=O)c1ccns1 1018278857 WLASLCRYADVBAI-VXGBXAGGSA-N 347.444 1.229 0 40 EDAB COc1cccc(/C=C2/SC(=S)N([C@@H](CO)C(=O)O)C2=O)c1 35648414 GSCKWTWDAGOGEO-OTXQMUPVSA-N 339.394 1.342 0 40 EDAB Cc1nc([C@@H]2CN(C)CCO2)cc(N(C)CCn2ccnc2C)n1 72387091 OGIMUSKPYRMJLE-INIZCTEOSA-N 330.436 1.429 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NC2CC2)ccc1NC[C@H]1CCCO1 217573238 QDUANYSJYHMGET-LLVKDONJSA-N 340.401 1.416 0 40 EDAB COc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCO3)cc1OC 72227563 XIUVYKPRAGCVGJ-IRXDYDNUSA-N 342.351 1.848 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cc([C@@H]3CCCN3C)ccn2)CC1 72387219 GVTVEAYXNBOVER-KRWDZBQOSA-N 330.432 1.543 0 40 EDAB CCOC(=O)[C@]1(F)CN(c2cc(C)nc(COC)n2)CC12COC2 521398517 LOHXHVXDCMCAPN-MRXNPFEDSA-N 339.367 1.039 0 40 EDAB O=c1c2c(-c3ccccc3Cl)n3ncnc3nc2ccn1CCO 40398051 JWVRBBUNJWJBKZ-UHFFFAOYSA-N 341.758 1.752 0 40 EDAB CCN1CCCC[C@H]1CNC(=O)N1CCN(Cc2cccnc2)CC1 78926045 AKGVRLJWLDVBRH-SFHVURJKSA-N 345.491 1.783 0 40 EDAB CC1CCN(C[C@@H](O)Cn2ccnc2[C@@H](O)c2cccnc2)CC1 189454721 KHWZQMNSIUQTIZ-SJORKVTESA-N 330.432 1.453 0 40 EDAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1N1CCOCC1 226103743 VOVMBIAEQAUESR-UHFFFAOYSA-N 328.372 1.739 0 40 EDAB C[C@]1(c2cnccn2)NC(=O)N(C[C@@H](O)c2ccc(F)cc2F)C1=O 192597794 PTSXLAAGVVVBLC-MLGOLLRUSA-N 348.309 1.255 0 40 EDAB O=C(CN1CC(c2nc(-c3cccnc3)no2)C1)NCc1ccco1 49483669 HTVNRSSGSBGGDK-UHFFFAOYSA-N 339.355 1.440 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccoc2)cc1Cl 75171994 JKMFKVLSZXISHQ-GFCCVEGCSA-N 338.747 1.730 0 40 EDAB CCOC(=O)c1csc(NC(=O)c2ccc(N3CCCC3)nn2)n1 75172573 URVAPVAVTXBUIQ-UHFFFAOYSA-N 347.400 1.962 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)s1 49736957 NGJDEPCIGMCLHI-AWEZNQCLSA-N 345.534 1.607 0 40 EDAB OC[C@H]1CCC2(CCOCC2)CN1Cc1nnnn1-c1ccccc1 528639132 ZRBMFOSRMZGHDV-MRXNPFEDSA-N 343.431 1.416 0 40 EDAB CC(C)[C@@H](C)N(C)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 40519836 DGBMTEOUPRZIDW-VXGBXAGGSA-N 337.445 1.617 0 40 EDAB COC[C@@H](C)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 195572811 KZHKHHUMKZSKCY-LBPRGKRZSA-N 348.415 1.554 0 40 EDAB CCOC(=O)C1(C(=O)OCC)C[C@H]1S(=O)(=O)c1ccccc1 141663481 LTZMZFOOXSUBNC-GFCCVEGCSA-N 326.370 1.345 0 40 EDAB CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@H]12 96083404 NCCZXILZLMKZQH-WMZOPIPTSA-N 348.468 1.601 0 40 EDAB CO[C@H]1CO[C@@]2(CCN(C(=O)c3ccc4c(c3)OCCCO4)C2)C1 96107689 IGAUMBGUCNQBDV-KDOFPFPSSA-N 333.384 1.868 0 40 EDAB Cn1cc(CN2CC[C@H]3C(=O)N(c4ccsc4)CCO[C@H]3C2)cn1 96107138 WUZHTVXDFDXAFQ-CVEARBPZSA-N 346.456 1.736 0 40 EDAB COc1ccc(N2C[C@@]3(CCN(C(=O)[C@H]4CCCO4)C3)CC2=O)cc1 96239007 RCGCLOWJRIGUCS-APWZRJJASA-N 344.411 1.830 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCCN(C)c2ccc(F)cc21 96418813 VIFJFBLKYNQUCT-UHFFFAOYSA-N 328.409 1.823 0 40 EDAB Cc1cccc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)n1 96041162 VFNZKWUCNUVWRK-OKZBNKHCSA-N 329.444 1.896 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CNc2ccc(-n3cncn3)cc2)o1 96426618 OHCFEWUVIHBTCI-UHFFFAOYSA-N 347.400 1.723 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@@H]12 96038624 VUJVQSOBBSMSLU-KBAYOESNSA-N 338.411 1.810 0 40 EDAB CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)c2ccnc(OC3CCC3)c2)C1 579742752 JDCUSYNZTDIUNP-KGLIPLIRSA-N 343.387 1.733 0 40 EDAB CN1CCN(Cc2cn3c(n2)CN(Cc2ccc(F)cc2)CC3)CC1 96197312 KLGNBQXKWDLSDI-UHFFFAOYSA-N 343.450 1.785 0 40 EDAB C[C@@H](C(=O)N1CCN(c2nncc3ccccc23)CC1)n1cccn1 96443699 ZYDRAMQUCDBQAU-AWEZNQCLSA-N 336.399 1.736 0 40 EDAB O=S(=O)(NC[C@@H]1CCC[C@]2(CCN(C3CCC3)C2)O1)C1CC1 96207793 PUNLSZIWDIJRIY-GOEBONIOSA-N 328.478 1.634 0 40 EDAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 96263046 FMEHSOQUZWBAAO-INIZCTEOSA-N 340.427 1.519 0 40 EDAB O=C(c1cc(O)cc(=O)o1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 583615452 CRQOHWKABNEFHU-MFKMUULPSA-N 337.278 1.572 0 40 EDAB Cc1occc1C(=O)N1CCOC[C@@]2(C[C@H](Cn3cnnc3)CO2)C1 96240620 JMOKKOGKTUMLDJ-RHSMWYFYSA-N 346.387 1.127 0 40 EDAB 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1.251 0 40 EDAB Cc1cc(NC[C@H]2CCN(C)C(=O)C2)n2nc(C(F)(F)F)nc2n1 521395867 LAHZJXQBPCGAMI-VIFPVBQESA-N 342.325 1.732 0 40 EDAB CO[C@H]1[C@H](CNC(=O)c2cc3ccc(C)cc3[nH]2)COC[C@H]1OC 643585459 MONPFKHKADNWAT-XYPHTWIQSA-N 332.400 1.883 0 40 EDAB CN(CC[C@H]1CCOC1=O)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 583623056 NZHYVKJJODEEQZ-JYJNAYRXSA-N 336.411 1.274 0 40 EDAB O=C1[C@H](N2CCC(Oc3ncc(Cl)cn3)CC2)CCN1C1CC1 1888834522 APXYIRKYNXGLTG-CQSZACIVSA-N 336.823 1.737 0 40 EDAB Cc1nc(C2CCC2)cc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 1888853094 JNQXLCSJGVOGJC-INIZCTEOSA-N 330.432 1.880 0 40 EDAB CC(=O)Nc1cnn([C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)c1 1888875687 XLUOEUGNDHLLMP-HNNXBMFYSA-N 346.362 1.833 0 40 EDAB Cn1c(N2C[C@H]3CN(C(=O)c4cn[nH]c4)C[C@@H]3C2)nc2ccccc21 1888888336 OOZBMXWJVHAYSF-ZIAGYGMSSA-N 336.399 1.505 0 40 EDAB Cc1cn2nc(N3CCN(c4ncnc5c4CCC5)CC3)ccc2n1 1888890822 RGFMAPQRYQHLAB-UHFFFAOYSA-N 335.415 1.643 0 40 EDAB Cc1c(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)oc2ccccc12 29193256 QCDIRWYOHZIYNN-LBPRGKRZSA-N 336.413 1.895 0 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0 40 EDAB CC(C)c1ccc(OCC(=O)N[C@H](C)C(=O)N2CCOCC2)cc1 58244616 AENJRFFYEOQMSE-CQSZACIVSA-N 334.416 1.552 0 40 EDAB NC(=O)NC(=O)CCN1CCCN(CCCc2ccccc2)CC1 58329724 NDGYYCQSZIRFKK-UHFFFAOYSA-N 332.448 1.212 0 40 EDAB CC(C)N(C(=O)Cn1nnn(-c2cccs2)c1=O)c1ccccc1 10811910 XOOYQBLUIIMRSY-UHFFFAOYSA-N 343.412 1.932 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)NC[C@H]1CCOC1)c1ccccc1F 48256041 ZFAZHMBQHLMTFY-DOMZBBRYSA-N 332.379 1.984 0 40 EDAB CNC(=O)CNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 45600230 JWDURTUXTLKQLG-BCFZYGEVSA-N 347.459 1.056 0 40 EDAB CCN(CC)C(=O)CN1CCN(C(=O)Nc2ccc(OC)nc2)CC1 69975296 HQDUWQIOKDCIQP-UHFFFAOYSA-N 349.435 1.108 0 40 EDAB NC(=O)CN(Cc1ccccc1)S(=O)(=O)/C=C/c1ccccc1 48324340 WUELEKMUXCJLSR-VAWYXSNFSA-N 330.409 1.975 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(F)(F)F)C2=O)cc1 3461075 LEYPEZGAADFONO-AWEZNQCLSA-N 343.305 1.441 0 40 EDAB CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C 408709882 YUTFFHOAWNZSFG-UHFFFAOYSA-N 325.368 1.610 0 40 EDAB COC(=O)c1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)n(-c2ccccc2)n1 71185800 WCNCUCNOHCWRKU-BETUJISGSA-N 343.383 1.908 0 40 EDAB CN1CCN(c2nc(NC3CCCCC3)c3cnn(C)c3n2)CC1 4374925 IOAVZMMYNDLHQO-UHFFFAOYSA-N 329.452 1.860 0 40 EDAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)cc1 4315038 CUHUOMQGUIHOSY-AWEZNQCLSA-N 336.413 1.678 0 40 EDAB CN1CCc2ncnc(N3CCC[C@H](C(=O)N4CCCCC4)C3)c2C1 65474261 YVSYNCXCOASWRO-HNNXBMFYSA-N 343.475 1.693 0 40 EDAB CCC(C)(C)NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 14086709 ODYIWYHLGNZRMA-SFHVURJKSA-N 345.399 1.521 0 40 EDAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 14165467 WNKIDKZFHYMZIQ-HOTGVXAUSA-N 347.459 1.857 0 40 EDAB CC[C@@](C)(O)CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 66158556 XSQLLYHYFMSTKW-CQSZACIVSA-N 345.421 1.151 0 40 EDAB C[C@H]1CN(C(=O)CN(C)Cc2nc3ccccc3n2C)C[C@H](C)O1 83219400 KKGAXGYTKGHSTD-KBPBESRZSA-N 330.432 1.641 0 40 EDAB CN1CCN(c2nc(-c3ccccc3)ncc2S(C)(=O)=O)CC1 5698880 JZQNRPFMLZZUCF-UHFFFAOYSA-N 332.429 1.299 0 40 EDAB O=C1CC[C@H](C(=O)NCc2ccc(Br)cc2Cl)N1 66348961 SLQVRQPYEHAEOX-SNVBAGLBSA-N 331.597 1.997 0 40 EDAB Cc1cc(C)cc(-c2nnc(SCc3nc(N)nc(N)n3)o2)c1 7073973 HWAMAJNBCQYEBR-UHFFFAOYSA-N 329.389 1.995 0 40 EDAB COc1ccc(CC[C@@H](C)NC(=O)N2CCC(C(N)=O)CC2)cc1 67534786 DFSHSWVGYRUNFQ-CYBMUJFWSA-N 333.432 1.923 0 40 EDAB Cc1ccc2c(c1)[C@@H](CC(=O)N1Cc3cnn(CCO)c3C1)C(=O)N2 67714617 FAWRMHVTYLRZTQ-CQSZACIVSA-N 340.383 1.152 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C 67846596 BQLAQUYLKCRJNS-ARFHVFGLSA-N 348.443 1.322 0 40 EDAB O=C(NCCNC(=O)N1CC[C@H](c2ccccc2)C1)c1ccn[nH]1 96002218 DWWSVNNWXYPTJN-AWEZNQCLSA-N 327.388 1.339 0 40 EDAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N2CCNC2=O)c1 7718590 AAGCWWANYFUVGH-CQSZACIVSA-N 333.388 1.393 0 40 EDAB O=C(O)C[C@@H](C(=O)NCCc1ccc2c(c1)OCO2)[C@H]1CCCO1 71405968 RLJMMGOQDGIZRC-CHWSQXEVSA-N 335.356 1.344 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)CCC3)cc1F 81552721 FAOAFEFZQBYOIY-UHFFFAOYSA-N 348.399 1.892 0 40 EDAB O=C(CCNC(=O)c1ccco1)Nc1ccccc1C(=O)NC1CC1 8327106 ABICHBBRDMRSBQ-UHFFFAOYSA-N 341.367 1.930 0 40 EDAB CC(C)(C)c1noc(CN2C(=O)c3ccccc3CS2(=O)=O)n1 69484564 MCTBCIASTQZUKR-UHFFFAOYSA-N 335.385 1.853 0 40 EDAB Cn1ccnc1CNCC1CCN(C[C@H](O)c2ccccc2)CC1 69490700 DHTLOMYSHSXPME-SFHVURJKSA-N 328.460 1.955 0 40 EDAB Cc1nnc2n1CCN(C(=O)Cc1csc(-c3ccco3)n1)C2 69484980 HKANMEOIMVZNJH-UHFFFAOYSA-N 329.385 1.888 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c[nH]nc1-c1ccc(F)cc1 9318889 JGDYSVCFLHROMO-VIFPVBQESA-N 348.334 1.607 0 40 EDAB CCc1nc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)no1 69570613 WJKNDHXBYCRVOB-MRXNPFEDSA-N 344.327 1.328 0 40 EDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@H]1CN(Cc3ccco3)C[C@@H]1C2 306139011 SNDKCIVLSRPLSL-HIFRSBDPSA-N 342.399 1.027 0 40 EDAB CCOCCN1CCN(CC(=O)Nc2nc(CC)c(C)s2)CC1 69627264 KICVUFZTBAHOAS-UHFFFAOYSA-N 340.493 1.607 0 40 EDAB NC(=O)NC(=O)CCN1CCCC[C@H]1c1nc(-c2ccccc2)no1 69654346 WFTARMZTKHDFNH-ZDUSSCGKSA-N 343.387 1.849 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1cnc(N3CCCC3)nc1)CC2 69621262 XYWFWUHQUWTESF-AWEZNQCLSA-N 327.436 1.335 0 40 EDAB COc1ccnc(N2CCN(C(=O)NCc3sccc3C)CC2)n1 71803874 PRPRFWDKTRORPC-UHFFFAOYSA-N 347.444 1.887 0 40 EDAB CN1CCN(C[C@H](O)CN(C)c2ccnc(-c3ccccc3)n2)CC1 71894565 LLWJZHJUJLRTGZ-QGZVFWFLSA-N 341.459 1.188 0 40 EDAB CN(CC(=O)N1CCN(c2ccc(Cl)cn2)CC1)c1cnccn1 71833018 FUZKRJKSSFLJJE-UHFFFAOYSA-N 346.822 1.310 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cccn2Cc2cccs2)CC1 71871333 JQBWTTHPALBTAJ-CQSZACIVSA-N 333.457 1.737 0 40 EDAB Cc1noc(C)c1CNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 71826969 PWCRLESSRWMRJN-OAHLLOKOSA-N 341.371 1.028 0 40 EDAB Cc1sc(-c2ccco2)nc1C(=O)NCC1(C(N)=O)CCOCC1 71811810 AKFHAOLBOSJZII-UHFFFAOYSA-N 349.412 1.723 0 40 EDAB NC(=O)c1cnc(N2CCC(NC(=O)c3ccoc3)CC2)c(Cl)c1 71827976 JBBGGAJBBNDGOV-UHFFFAOYSA-N 348.790 1.826 0 40 EDAB CC(=O)N[C@H](C)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F 71903748 LFNRCKGOBBLUDI-MRVPVSSYSA-N 331.294 1.442 0 40 EDAB C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCN(CCO)CC1 87084417 JFLXARYSNDQVRN-MRXNPFEDSA-N 331.460 1.354 0 40 EDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)N[C@@H]2CCC[C@@H]2C(N)=O)o1 84195295 XWAKLPIXKBVFIU-XQQFMLRXSA-N 341.433 1.213 0 40 EDAB COCCCNC(=O)C1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1 97034095 OCZIZINCFGTLNA-MSOLQXFVSA-N 332.444 1.509 0 40 EDAB CCc1ncnc(NCCN2CCN(C(=O)C3CCCC3)CC2)c1F 97032338 MSUMHNALNMTAKF-UHFFFAOYSA-N 349.454 1.924 0 40 EDAB Cc1noc(CN2CCN(Cc3cn(C)nc3C(C)(C)C)CC2)n1 97033828 VMGLCDBEGCDPBE-UHFFFAOYSA-N 332.452 1.727 0 40 EDAB O=C(Cc1ccc2c(c1)OCCCO2)NCc1nnc2ccccn12 72405310 PHPOSERDUYFHDQ-UHFFFAOYSA-N 338.367 1.750 0 40 EDAB Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)c(=O)[nH]1 97372185 RBUMVMFDCNKNSM-AWEZNQCLSA-N 345.786 1.650 0 40 EDAB CCN(Cc1cccc(F)c1)S(=O)(=O)N(C)Cc1cnn(C)c1 84777527 VLODFTXMOYBRPD-UHFFFAOYSA-N 340.424 1.758 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1c2ccccc2C[C@H]1O 95447905 ODUBORYAOPUWSO-HIFRSBDPSA-N 341.411 1.764 0 40 EDAB CN(CCC(=O)NC1CC1)C(=O)c1c[nH]nc1-c1ccccc1F 95410147 WRCFLJPQVHBLJR-UHFFFAOYSA-N 330.363 1.957 0 40 EDAB O=C(NCc1cn(-c2ccccc2)nn1)N[C@H]1CCCC[C@@H]1CO 95410363 WXVGCDXUDSWNFN-CJNGLKHVSA-N 329.404 1.618 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)c(=O)[nH]1 95440513 QSNRBNREBHWCRR-HOCLYGCPSA-N 343.358 1.524 0 40 EDAB Cc1cc(CC(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)n[nH]1 95440506 HWRUTYRPBQSLPX-RHSMWYFYSA-N 330.363 1.488 0 40 EDAB CCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)COC)cc1 408592316 JXSGHKZUIYCRRQ-GFCCVEGCSA-N 328.434 1.069 0 40 EDAB O=C(NCCOc1ccc2ccccc2c1)N1CCO[C@H](CO)C1 78842178 GRDDXLJZTGUWAP-KRWDZBQOSA-N 330.384 1.621 0 40 EDAB O=C1CC[C@@]2(C(=O)NC[C@@H]3COCCO3)Sc3ccccc3N12 95953294 HKVXSJOSPUAVRV-BZNIZROVSA-N 334.397 1.147 0 40 EDAB Cc1cc(S(=O)(=O)Nc2cc(-c3nncn3C)ccn2)c(C)o1 95988782 GUIZPFOFPNXTHK-UHFFFAOYSA-N 333.373 1.888 0 40 EDAB CN(C)C(=O)[C@H](Cc1ccccc1)Nc1cnn(C)c(=O)c1Cl 95975490 KQNALJDOIWZPHX-LBPRGKRZSA-N 334.807 1.545 0 40 EDAB CCN(Cc1cccs1)C(=O)CN(C)c1ncnc2[nH]cnc12 95953838 KDXOZQYLXSQPEZ-UHFFFAOYSA-N 330.417 1.899 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCC(=O)c1ccc(F)cc1 85593404 APYIKLRDEKBZQK-KBPBESRZSA-N 347.342 1.727 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3COc4ccccc4C3)CCO2)n1 89289718 KJZGPVUFGAKPJE-HIFRSBDPSA-N 342.399 1.518 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC3(C)COC3)CC2)c1 89624054 BIWBPVNQWDTPDR-UHFFFAOYSA-N 338.473 1.646 0 40 EDAB CNC(=O)c1nn(CCCn2ccnc2C)c(=O)c2ccccc12 89735715 XANWZGPFUJLAFH-UHFFFAOYSA-N 325.372 1.351 0 40 EDAB O=C(Cn1cc(C2CC2)nn1)N(Cc1ccco1)C[C@H]1CCCO1 89797667 JVDLZXSYOIWFLY-OAHLLOKOSA-N 330.388 1.956 0 40 EDAB O=C(O[C@@H]1CC(O)=NC1=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 64219416 IIZPNZMVGXAPRG-QWHCGFSZSA-N 346.339 1.586 0 40 EDAB O=C1O[C@H](C(=O)Nc2ccccc2-n2ccnn2)Cc2ccccc21 123157778 TWQVGDSOCUHRDV-INIZCTEOSA-N 334.335 1.988 0 40 EDAB Cc1cc(N2CCC[C@H](C(=O)N3CCOCC3)C2)nc(C2CC2)n1 364842864 JFWRFTQGRHHLOZ-HNNXBMFYSA-N 330.432 1.738 0 40 EDAB CCn1cc(S(=O)(=O)N2CCC(=O)C[C@@H]2c2ccccc2)cn1 521394436 AIACYEHSZPOHRW-MRXNPFEDSA-N 333.413 1.998 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2c[nH]c3c(F)cccc3c2=O)CC1 524735379 YXZMBCFEFCBMQI-UHFFFAOYSA-N 347.346 1.582 0 40 EDAB CC(=O)N1CCC[C@H](Cc2cncc(C(=O)N3CCOCC3)c2)C1 72365745 OGBZMEONEJNBHS-OAHLLOKOSA-N 331.416 1.355 0 40 EDAB COc1ccc(S[C@H](C)C(=O)N2CCN(C=O)CC2)cc1OC 30857180 GTWFSJNLVATYRI-GFCCVEGCSA-N 338.429 1.485 0 40 EDAB COCCN1C[C@H](C(=O)O[C@@H](C)c2ccc3c(c2)OCCO3)CC1=O 78442479 FZAKHNIQADZHRL-GXTWGEPZSA-N 349.383 1.557 0 40 EDAB CN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1F 72241539 CRVVTKKLLUFUSN-SJORKVTESA-N 346.358 1.976 0 40 EDAB Cn1ccc(C(=O)N2CC[C@@H](c3ccc4sc(N)nc4n3)C2)n1 72368496 UBEPVCXUCISBFY-SECBINFHSA-N 328.401 1.637 0 40 EDAB COc1cccc2ncnc(N3CCC[C@H](n4cc(CO)nn4)C3)c12 558951318 KRPUPPMQAQXHCL-ZDUSSCGKSA-N 340.387 1.564 0 40 EDAB O=S(=O)(NCCc1nc(-c2ccccn2)no1)c1ccccc1 78773781 ITXMNLRUTJWYRK-UHFFFAOYSA-N 330.369 1.653 0 40 EDAB C[C@@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C12CC3CC(CC(C3)C1)C2 33028285 LZOZRMDSRQMOLD-CYKSVFEYSA-N 333.432 1.696 0 40 EDAB CCOC(=O)[C@]1(F)CN(C(=O)c2ccn(C(C)C)n2)CC12COC2 521394348 GMDYJXWZZANKQO-MRXNPFEDSA-N 339.367 1.208 0 40 EDAB Cc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)n1 72237957 QAQCWECUORNTFL-SJORKVTESA-N 325.368 1.927 0 40 EDAB COc1ccc(C2=NO[C@](C)(C(=O)NCCC(=O)N(C)C)C2)cc1 223297735 FVTXGBIQXZMLEK-KRWDZBQOSA-N 333.388 1.173 0 40 EDAB CCc1onc(C)c1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 195567379 KKQAFRQDZMWIDR-CYBMUJFWSA-N 334.420 1.100 0 40 EDAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NC[C@H]3CCCO3)n2)cc1 41254525 YEQYUOBZPSJCKY-MRXNPFEDSA-N 341.411 1.904 0 40 EDAB CC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H](C)S(C)(=O)=O 81200263 FYRODDTVCHCFIZ-GDBMZVCRSA-N 338.473 1.543 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)c1 225929354 LMRZZCMVCVLFGH-UHFFFAOYSA-N 347.440 1.635 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)s1 224618016 BKPJRHVRZCCCHF-SECBINFHSA-N 340.430 1.844 0 40 EDAB Cc1csc([C@H]2CN(C(=O)NCCCn3ccnn3)CCO2)n1 194354026 AYLFTZZEAQRGLR-GFCCVEGCSA-N 336.421 1.216 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccnc2C)cc1C 226750742 JXHNILPEFUMXCA-UHFFFAOYSA-N 349.412 1.624 0 40 EDAB CCCn1c(CNC(=O)[C@H]2CSCCC(=O)N2)nc2ccccc21 226753926 VXPQQHQVCSMPRW-CYBMUJFWSA-N 346.456 1.684 0 40 EDAB CC(C)(C)N1C[C@H](C(=O)N2CCNC[C@@H]2c2ccncc2)CC1=O 333323340 UVLXPHDFOKJLES-HUUCEWRRSA-N 330.432 1.202 0 40 EDAB CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC1 225446537 LSUSXYVLKGAIMF-HUUCEWRRSA-N 344.521 1.828 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(OCc3nnnn3C)cc2)C[C@@H](C)O1 96101312 VLCOSXNQQHUELU-VXGBXAGGSA-N 331.376 1.039 0 40 EDAB CO[C@H](C)c1noc(CN(C)c2ncc(Br)cn2)n1 96449448 QGTUNEWNWNVUFB-SSDOTTSWSA-N 328.170 1.966 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1cccnc1 96057995 SKAKQDDOKJIRQH-RCCFBDPRSA-N 346.427 1.783 0 40 EDAB Cn1cccc1C(=O)N1CCC2(CC1)CCN(c1ncccn1)C2 96157536 VEQHLUBGMCGMHM-UHFFFAOYSA-N 325.416 1.948 0 40 EDAB COc1ccc(CN2CCOC[C@@]3(C[C@@H](CN(C)C)CO3)C2)cc1 96051943 OUECYEPEFWWLKF-PKOBYXMFSA-N 334.460 1.864 0 40 EDAB CNC(=O)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145366 NNAYEBPAZRHXKL-HUUCEWRRSA-N 337.445 1.252 0 40 EDAB Cc1cnc(N2CCOC[C@@]3(CCN(Cc4nccn4C)C3)C2)nc1 96202078 ZQXYBDKFUSABNY-GOSISDBHSA-N 342.447 1.247 0 40 EDAB Cc1ccc(CN2CCC3(CC2)OCC(=O)N(CCN(C)C)[C@H]3C)o1 96201528 OMERJBIKIJOLHP-INIZCTEOSA-N 349.475 1.732 0 40 EDAB Fc1cnc(N2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1 96063386 WTRWUKJKXSTUBW-GOEBONIOSA-N 333.367 1.267 0 40 EDAB CCOc1c(F)cccc1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 96431118 NMAGSGSPOFBPAI-GFCCVEGCSA-N 332.379 1.967 0 40 EDAB O=C(c1ccno1)N1CCO[C@@H]2[C@H](COc3ncccn3)CC[C@@H]21 96250018 HTSQRWWOJZIYPQ-SGMGOOAPSA-N 330.344 1.163 0 40 EDAB O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1ccc2[nH]cnc2c1 96502632 JUCSAVYJBCKDPU-OAHLLOKOSA-N 335.367 1.883 0 40 EDAB CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3cccc(O)c3)C2)O1 247949546 BQZUIUKKQYCKOQ-FUHWJXTLSA-N 334.416 1.344 0 40 EDAB Cc1cc(CN2CCn3cc(CC(=O)NC4CC4)nc3[C@H]2C)no1 247883122 CMGYZBGANONEFD-GFCCVEGCSA-N 329.404 1.577 0 40 EDAB Cc1ccc(CN2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)s1 248087788 KPNRCGNLCKWZTN-CYBMUJFWSA-N 340.474 1.359 0 40 EDAB CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CCN(c3nncs3)C2)C1 248090870 FLGFDEUPSZUOFA-HOCLYGCPSA-N 331.445 1.803 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)Cn3cc(C)cn3)CC[C@H]21 257322881 WHUNBVJEFOGLMP-JKSUJKDBSA-N 348.447 1.068 0 40 EDAB CN1CCN(C(=O)C2(c3ccccc3)CCCC2)C[C@H](C(N)=O)C1 257328091 XEBQUDFOFKWWSA-OAHLLOKOSA-N 329.444 1.374 0 40 EDAB COC(=O)[C@H]([C@H](C)O)N(C)C(=O)C[C@H](C)Cc1cccc(F)c1 585089913 JTACOGZWZRQWSR-WQGACYEGSA-N 325.380 1.775 0 40 EDAB CC(=O)NCc1cnc([C@H]2CCN(C(=O)Cc3csc(C)n3)C2)[nH]1 257327065 WZTLKJUXBCVPHK-LBPRGKRZSA-N 347.444 1.369 0 40 EDAB CNC(=O)CN(C)c1nc(C)c(C(=O)OC)cc1Br 585118115 CFBYUOYYQFAJJY-UHFFFAOYSA-N 330.182 1.121 0 40 EDAB COCCOc1cccc(C(=O)NCc2cn(C3CCC3)nn2)c1 585130668 YIBCDDZFZYCNJZ-UHFFFAOYSA-N 330.388 1.958 0 40 EDAB C[C@](CO)(NC(=O)[C@H]1COCCO1)c1cccc(C(F)(F)F)c1 585112885 GWGQKFSGADCFNT-TZMCWYRMSA-N 333.306 1.445 0 40 EDAB CCn1nccc1-c1cccc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257255184 KGMLKOYJRVNQAJ-INIZCTEOSA-N 349.460 1.908 0 40 EDAB C[C@H]1CCCCN1C(=O)CSc1ccc(S(N)(=O)=O)cc1 585135745 ZMLNWLQXFMODBG-NSHDSACASA-N 328.459 1.827 0 40 EDAB CNC(=O)c1cc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n[nH]1 257326773 WYNMCAHASXKGQY-LBPRGKRZSA-N 330.363 1.467 0 40 EDAB O=C1CCC[C@]2(CN(C(=O)Cn3cccn3)C[C@H]2c2ccccc2)N1 257231099 GFFMYVLWJCOPNM-QFBILLFUSA-N 338.411 1.548 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C)oc1C)C2 253386256 WDHJHDSQLNHYPO-CYBMUJFWSA-N 341.429 1.562 0 40 EDAB Cc1ncc(-c2nccnc2C2CCN(S(C)(=O)=O)CC2)n1C 257324726 WPWKGWVGCGLLJK-UHFFFAOYSA-N 335.433 1.325 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)Cc2nonc2C)C1 257251488 JQYZBGFPFVDXQL-LBPRGKRZSA-N 330.392 1.234 0 40 EDAB CC(=O)N1CCN(Cc2ccccc2Cl)C[C@@H](C(=O)N(C)C)C1 257335254 YJIMRECHDZHBQC-OAHLLOKOSA-N 337.851 1.709 0 40 EDAB CC(C)c1ccc(OCC(=O)NCc2nnc3c(O)nccn23)cc1 253399727 JVRSJDDECUHXKA-UHFFFAOYSA-N 341.371 1.649 0 40 EDAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3cccs3)C2)ncn1 257309075 TZLAWADSOAUATE-INIZCTEOSA-N 332.429 1.608 0 40 EDAB CN(C)c1cc([C@H]2CCCN2C(=O)c2cnc(O)nc2O)ccn1 257249572 JIYXQHVLOQLZOV-GFCCVEGCSA-N 329.360 1.326 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)Nc2cccc3c2ccn3CC(=O)O)C1 1615614261 DOCDBIBCZLVBSV-ZDUSSCGKSA-N 343.383 1.923 0 40 EDAB Cc1csc2nc(CN3CCC[C@H]3c3nc(N)n(C)n3)cc(=O)n12 284325054 PZSUUKBGDDDXPI-NSHDSACASA-N 345.432 1.112 0 40 EDAB C[C@@H]1Nc2ccnn2[C@H](C)[C@@H]1CCC(=O)NC[C@@H](C)N1CCOCC1 1616042113 JKXGOQLBHUVTNQ-QKPAOTATSA-N 349.479 1.491 0 40 EDAB CCOc1cccc(NC(=O)N2CCN(C3CC3)[C@H](C(N)=O)C2)c1 1616035363 ZHVQYCWLLPWSIA-HNNXBMFYSA-N 332.404 1.251 0 40 EDAB CN(C)S(=O)(=O)c1cccc(Cn2ccc(C3CC3)nc2=O)c1 1616034239 BCRGURHTOVEFLB-UHFFFAOYSA-N 333.413 1.419 0 40 EDAB C[C@H](O)C(=O)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@H](C)O2 1616031948 GWVQDLFXVGXPHX-CVEARBPZSA-N 332.444 1.649 0 40 EDAB CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)CCO1 283614051 ZFWNUJOAMCEKPE-SMDDNHRTSA-N 332.404 1.965 0 40 EDAB C[S@@](=O)C1(CNC(=O)N2CCN(c3ccccc3)CC2)CCC1 281455696 GHDWNLYYRWTVBU-HSZRJFAPSA-N 335.473 1.819 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)c1 1615057810 KEIMXGOCWRIPOC-ZIAGYGMSSA-N 334.445 1.152 0 40 EDAB O=C(c1ccn(CC(F)(F)F)n1)N1CCC[C@@H](N2CCCC2=O)C1 1615591338 UXYPLQYINDCEFB-LLVKDONJSA-N 344.337 1.672 0 40 EDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccccn2)Cc2ccnn21 585112751 VRMRQCJGCZZSBN-MRXNPFEDSA-N 349.460 1.164 0 40 EDAB Cn1nc(C2CCOCC2)cc1C(=O)NCc1ccc2cncn2c1 1521445561 TYZQVOUIULJQES-UHFFFAOYSA-N 339.399 1.892 0 40 EDAB O=C(Cc1nc2ncccn2n1)NC[C@H]1CCN(c2ccccc2)C1 57114439 LYFUCQVMOGUDJP-CQSZACIVSA-N 336.399 1.310 0 40 EDAB CCN(CC)CCNS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 69780121 OJGOEOFOCZLWON-UHFFFAOYSA-N 348.490 1.100 0 40 EDAB CCc1ccc([C@H](NC(=O)CN(C)S(C)(=O)=O)C(C)(C)C)o1 69743588 RQPDXOAMCWWJNE-AWEZNQCLSA-N 330.450 1.937 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(F)cc2F)CC1 69807948 FVFWVDDZXQUQAJ-ZDUSSCGKSA-N 328.359 1.120 0 40 EDAB Cc1nn(C)c(C)c1CN1CCN(C[C@@H](O)c2ccccc2)CC1 69920300 UPJRXQKATJYJIK-LJQANCHMSA-N 328.460 1.888 0 40 EDAB CN(C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1F)C1CC1 71186067 KTDDIKZLUCZKFR-GFCCVEGCSA-N 344.433 1.510 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)n(C)n1 65474664 GVDINBLLEIMONB-UHFFFAOYSA-N 340.427 1.621 0 40 EDAB CCOCCOc1ccc(S(=O)(=O)NCC(=O)OC(C)C)cc1 65494941 MMPMKGWNODNYGI-UHFFFAOYSA-N 345.417 1.332 0 40 EDAB COC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 66083972 SQYAUJSGYGJMKR-AWEZNQCLSA-N 325.752 1.235 0 40 EDAB O=S(=O)(NCC1(OCCO)CCCC1)c1ccccc1Cl 888106898 CSSZXENFGZXHQG-UHFFFAOYSA-N 333.837 1.940 0 40 EDAB CC1(C)CC[C@H](CS(=O)(=O)NCc2cccc(C(N)=O)c2)OC1 1616040983 IEBDYAPJNYNOJG-CQSZACIVSA-N 340.445 1.410 0 40 EDAB COc1ccc2cc(C)c3nn(CN4CCC[C@H](O)C4)c(=O)n3c2c1 12182989 UPRSKAYAAUQMHH-AWEZNQCLSA-N 342.399 1.380 0 40 EDAB CS(=O)(=O)c1snnc1[C@H]1CCCN(Cc2ncc[nH]2)C1 12221433 RFILROUYJAMUQM-VIFPVBQESA-N 327.435 1.044 0 40 EDAB CSc1nc(C)c(CC(=O)N(C)CCOc2ccccc2)c(=O)[nH]1 12325384 GTONIYMDMJAIMI-UHFFFAOYSA-N 347.440 1.880 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=N[C@@H]2c1cccnc1 14607550 DSLKALQRYQRADC-INIZCTEOSA-N 347.382 1.460 0 40 EDAB Cc1cc(N2CCC(CNS(=O)(=O)c3cn(C)cn3)CC2)ccn1 245130830 UZMGPAWMFBDYNK-UHFFFAOYSA-N 349.460 1.318 0 40 EDAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccco1 6657938 FCXLBSQRVALSJB-UHFFFAOYSA-N 327.340 1.805 0 40 EDAB CC(C)c1ncnc(N(C)[C@H]2CCCN(S(C)(=O)=O)C2)c1F 1888849826 WPKXZUDARKPBHB-NSHDSACASA-N 330.429 1.599 0 40 EDAB c1nc(N2CC[C@H](COc3cc4c(nn3)CCC4)C2)c2nc[nH]c2n1 1888904164 GSOQTUOOTLDLOG-NSHDSACASA-N 337.387 1.537 0 40 EDAB CC(C)N1CCC(c2cnc(CCC(=O)NCC(=O)O)cn2)CC1 1848355189 USCZBOBJFODLET-UHFFFAOYSA-N 334.420 1.198 0 40 EDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCC[C@@H](C)C3)cnc21 33185193 WSMJPPLAARVGES-PWSUYJOCSA-N 330.388 1.413 0 40 EDAB O=C(N1CCC[C@]2(COCCN(c3ncccn3)C2)C1)C1(F)CCC1 1565543909 MBWFQHXKGJXSNX-KRWDZBQOSA-N 348.422 1.814 0 40 EDAB Cn1cc(S(=O)(=O)Nc2cccc3ccccc23)c(=O)n(C)c1=O 4270163 FPUJOMCRUMRQSR-UHFFFAOYSA-N 345.380 1.038 0 40 EDAB CCOC(=O)Cn1nc(C)cc1NC(=O)c1cccnc1OCC 4770029 YMPYZFDDAZSHTM-UHFFFAOYSA-N 332.360 1.801 0 40 EDAB CSc1ccc(CCC(=O)N2CC(CN3C(=O)COC3=O)C2)cc1 575616758 OZSQSWMGYAIGMH-UHFFFAOYSA-N 348.424 1.778 0 40 EDAB COc1ccc2sc(N3CCC[C@@H](NS(C)(=O)=O)C3)nc2c1 2298212752 OQBHCIUZBIKSFO-SNVBAGLBSA-N 341.458 1.823 0 40 EDAB Cc1cccc(C)c1NCC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 96426530 ONMRVYHXAIELFT-SFHVURJKSA-N 344.503 1.954 0 40 EDAB O[C@H](CN1CCOCC1)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 32769113 LQBZNUMUMHDZMP-IAGOWNOFSA-N 348.443 1.288 0 40 EDAB CC[C@H]1[C@@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O 100069270 CJDRUOGAGYHKKD-FVSYJEOKSA-N 326.440 1.555 0 40 EDAB CCOc1ccccc1N1C[C@H](C(=O)N2CCN(C)CC2)CC1=O 50079529 MPRXADGBDUDSLM-CQSZACIVSA-N 331.416 1.212 0 40 EDAB NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c2ncccc12 30333059 XSGJLOANVAYOFN-LBPRGKRZSA-N 337.376 1.402 0 40 EDAB C[C@H](CNC(=O)NCCNc1ncccn1)N1CCc2ccccc21 40145997 OSBQIRWBGYBOHN-CQSZACIVSA-N 340.431 1.639 0 40 EDAB O=C(CNC(=O)Nc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 40479745 LSAVXDAMMIPUJJ-UHFFFAOYSA-N 325.328 1.616 0 40 EDAB Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)[nH]c2c1C(=O)CC(C)(C)C2 40467977 MBZMCWBEZUWBCM-SNVBAGLBSA-N 338.429 1.395 0 40 EDAB CCn1c(=O)n(CC(=O)N[C@@H](C)Cn2cccn2)c2ccccc21 31397521 WXBFQORYHOYGCW-ZDUSSCGKSA-N 327.388 1.224 0 40 EDAB COC[C@@H](C)NC(=O)c1cn(-c2ccccc2Br)nn1 40506110 HLVJHVLCJYHOQJ-SECBINFHSA-N 339.193 1.795 0 40 EDAB Cn1ccnc1CCNS(=O)(=O)c1ccc(Br)cc1 40640814 KYHMYZXEELHZNV-UHFFFAOYSA-N 344.234 1.704 0 40 EDAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(C)C2)c(C(F)(F)F)c1 69775938 NSARUFOAQYNFNL-JTQLQIEISA-N 330.306 1.809 0 40 EDAB CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccccc1F 308903 ADNHDMHWEOYXTI-UHFFFAOYSA-N 328.409 1.994 0 40 EDAB CC(C)Cn1nc(C(=O)NC[C@@H](C)N(C)C)c2ccccc2c1=O 46274581 WVIRSKXBXQZDOU-CYBMUJFWSA-N 330.432 1.732 0 40 EDAB CS(=O)(=O)CCOc1cccc(NC(=O)NC[C@@H]2CCCO2)c1 69563025 AXKWZUXHIZOSBD-AWEZNQCLSA-N 342.417 1.411 0 40 EDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OC[C@H]2CCCO2)c1 32666430 KOZBYYOKVSCARZ-SNVBAGLBSA-N 347.820 1.926 0 40 EDAB COc1cc(NC(=O)Cn2nnc3ccccc3c2=O)cc(OC)c1 2628293 CQTQXAFLFFXGAZ-UHFFFAOYSA-N 340.339 1.447 0 40 EDAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccccc2F)c1 2730635 ZGLYDHHTQBGKNH-GEEKYZPCSA-N 341.342 1.737 0 40 EDAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O 3010513 IJAOJHNCSROCQF-RYUDHWBXSA-N 327.425 1.402 0 40 EDAB O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc2c(c1)OCO2 418263 HFQGTGDLDAAVEL-UHFFFAOYSA-N 329.341 1.769 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1=O 46483870 XGSDHDZLQQVQPO-OLZOCXBDSA-N 337.420 1.267 0 40 EDAB CCCCNC(=O)COC(=O)c1nn(-c2ccccc2)cc1OC 7600245 RZIFLWBZIYVGIO-UHFFFAOYSA-N 331.372 1.954 0 40 EDAB COc1ccc(OC)c(CCNC(=O)[C@H]2CCCN(C(C)=O)C2)c1 53347690 HFEWTXYWZZBUGL-HNNXBMFYSA-N 334.416 1.621 0 40 EDAB CN(C)c1ccc(CNC(=O)NCc2ccc(N(C)C)nc2)cn1 46884365 IMOFOTRBGALKGD-UHFFFAOYSA-N 328.420 1.608 0 40 EDAB Nc1nc(COC(=O)c2cnccn2)nc(Nc2ccc(F)cc2)n1 8539211 LAYGGHZHWAAOCL-UHFFFAOYSA-N 341.306 1.484 0 40 EDAB CCN1CCN([C@@H]2CCN(CCOc3ccc(OC)cc3)C2)CC1 89977313 BEOCGFZMRIBWNL-QGZVFWFLSA-N 333.476 1.786 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@H]1N(C)C 89948461 YKOYTCBDXDHFMQ-YPMHNXCESA-N 345.365 1.666 0 40 EDAB CCCOc1cc(CNC(=O)COc2c(C)nn(C)c2C)ccn1 89960280 JSIKTSOZOSIKRU-UHFFFAOYSA-N 332.404 1.916 0 40 EDAB Cc1nnc(CN2CCC(NC(=O)NC3CCCCC3)CC2)n1C 55029625 GORKJWUSZXEERJ-UHFFFAOYSA-N 334.468 1.720 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(CC(=O)N[C@H](C)c3ccco3)CCO2)n1 106908140 GCTMUMUMUZSPRF-DOMZBBRYSA-N 347.419 1.066 0 40 EDAB Cc1cccnc1CN(Cc1ccco1)[C@H]1CS(=O)(=O)C[C@H]1O 110705729 VLFWNJSDTWKSKC-JKSUJKDBSA-N 336.413 1.143 0 40 EDAB CCNC(=O)c1cccc(CNS(=O)(=O)N2CCC[C@H](C)C2)c1 56066062 KURUPIDFQNJSBX-ZDUSSCGKSA-N 339.461 1.503 0 40 EDAB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C)CC2)cc1 20121102 PIRSHHVSAMFZPI-INIZCTEOSA-N 344.463 1.774 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1noc2c1CCCC2 56868458 BBCVYABXDHLUOD-NSHDSACASA-N 341.433 1.097 0 40 EDAB COc1cccc(N2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)c1 57290242 QMQKRSSQCBWBQD-QGZVFWFLSA-N 331.416 1.355 0 40 EDAB C[C@H]1C[C@H](C)CN(CCNC(=O)C2CCN(c3ncccn3)CC2)C1 44534500 LZPCYTIKNSPNFU-HOTGVXAUSA-N 345.491 1.787 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 101000815 DNUGGEMJARCRKS-DGCLKSJQSA-N 344.327 1.078 0 40 EDAB O=C(Cc1csc(-c2ccco2)n1)NC[C@@H]1CCS(=O)(=O)C1 44724273 XVYKVCYRVXHLKI-JTQLQIEISA-N 340.426 1.497 0 40 EDAB OCCn1nccc1C1CCN(C[C@@H](O)COc2ccccc2)CC1 58290000 VCUMHQQHVGZCTQ-QGZVFWFLSA-N 345.443 1.495 0 40 EDAB C[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2118151 GXJVMJBXZYQVCI-UWVGGRQHSA-N 345.351 1.638 0 40 EDAB biogenic O=C(Cc1noc2ccccc12)NC1CCN(C(=O)C2CC2)CC1 44907108 AUYKNNINZQWMIW-UHFFFAOYSA-N 327.384 1.888 0 40 EDAB COC(=O)[C@H](NC(=O)c1cc[nH]n1)c1ccc(Br)cc1 58325361 TXTANOKFOIDALJ-LLVKDONJSA-N 338.161 1.816 0 40 EDAB CCOc1ccc2[nH]c(=O)c(CNCCN3CCOCC3)cc2c1 22786757 IBTOQMDAKJYAMO-UHFFFAOYSA-N 331.416 1.349 0 40 EDAB CC(=O)N1CCC(NC(=O)NCc2ccc(-c3ccn[nH]3)cc2)CC1 48272089 XIPKSGHXBNWSLD-UHFFFAOYSA-N 341.415 1.887 0 40 EDAB O=C(NCCNc1ncccn1)NC[C@H](c1ccco1)N1CCCC1 48235066 KVGBMLFVNMWXGN-CQSZACIVSA-N 344.419 1.618 0 40 EDAB CCN1CCC(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1 69845024 YUBFZWKOQCNFAN-OAHLLOKOSA-N 339.505 1.679 0 40 EDAB COc1ccc(CCNC(=O)N2CCC[C@H](C(N)=O)C2)cc1OC 48312485 XCPMJJUUWPZMAP-ZDUSSCGKSA-N 335.404 1.153 0 40 EDAB Cc1ccccc1C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 29188666 RBACGAAMXGJXOB-OKILXGFUSA-N 340.445 1.164 0 40 EDAB C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccccc1OC(F)F 69815493 DUSRECRVLKDBMQ-VIFPVBQESA-N 332.332 1.247 0 40 EDAB COc1ccccc1CCNC(=O)Cn1ncc2ccccc2c1=O 12949603 YYANDBIZNPWSOW-UHFFFAOYSA-N 337.379 1.764 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 69969825 YSCOUJLEVAZPAV-IBGZPJMESA-N 346.471 1.259 0 40 EDAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(CC(=O)NC(C)C)C1=O 13070020 QVBCMKAFPKGXBS-GOSISDBHSA-N 345.399 1.303 0 40 EDAB CN1CCN(c2cc(C(=O)N(C)CCc3ccncc3)ccn2)CC1 69900756 YQRBFYNGCYMLEW-UHFFFAOYSA-N 339.443 1.543 0 40 EDAB O=C(O)COc1ccc(Br)cc1/C=C1\NC(=O)NC1=O 13146032 UZGKDOMHCZISBA-YWEYNIOJSA-N 341.117 1.093 0 40 EDAB O=C(OCC(=O)N1CCCCCC1)c1n[nH]c(=O)c2ccccc12 8772796 IBAAVPJJOCFVOM-UHFFFAOYSA-N 329.356 1.483 0 40 EDAB Cc1cccc(N2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1 8729287 QDRCXUKEZWFINO-UHFFFAOYSA-N 334.445 1.846 0 40 EDAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccccc2)N1CCO 13688258 ORHKZLVVDXKINP-RDJZCZTQSA-N 333.409 1.328 0 40 EDAB COc1cccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 5015584 DDUZMDFYJDCKJH-UHFFFAOYSA-N 347.396 1.686 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccn(-c3ccccc3F)n2)C[C@H](C)O1 65402458 MRDWHIHOAGIHST-KBPBESRZSA-N 346.406 1.850 0 40 EDAB COc1ccc(C)cc1-n1ccc(C(=O)N2CC[C@@H](C(N)=O)C2)n1 65476408 MOPIPIKIZQSPPX-GFCCVEGCSA-N 328.372 1.137 0 40 EDAB O=C(NCC1CC1)[C@@H]1CSCN1C(=O)Cc1noc2ccccc12 65568570 AVTNZDHPVOSQFL-AWEZNQCLSA-N 345.424 1.798 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)Nc1cccc(C(=O)O)c1 4506662 GADSORVZYVHFEE-OWLDWWDNSA-N 342.351 1.354 0 40 EDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 4505308 KCSFKVCPMDDLDU-NSHDSACASA-N 337.850 1.538 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1F 9053693 APHICDDSLCCAEY-NSHDSACASA-N 334.800 1.720 0 40 EDAB O=C(CCc1nc(-c2nc[nH]n2)no1)NC[C@H]1C[C@@H]1c1ccccc1 96405487 INXAPTLUNIJQHA-CHWSQXEVSA-N 338.371 1.707 0 40 EDAB Cc1occc1C(=O)NC1CCN(CC(=O)NC[C@H]2CCCO2)CC1 67230014 CYHFPRIXWNXRKI-OAHLLOKOSA-N 349.431 1.077 0 40 EDAB CC[C@H](N)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)CO2 19769798 PKOFVCGRHGRTMD-AWEZNQCLSA-N 331.416 1.834 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc2cccnc12 8216065 PSIPFRBHDAPBAJ-UHFFFAOYSA-N 346.346 1.877 0 40 EDAB NC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2C2OCCO2)cc1 69294149 GRKWGWGODOCEBJ-CQSZACIVSA-N 333.388 1.223 0 40 EDAB CCc1c(O)nc(SCC(=O)NC)n(-c2cccc(OC)c2)c1=O 69373411 PDKDKDMYNBGGHD-UHFFFAOYSA-N 349.412 1.347 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)NCC[C@@H]3CCCO3)CC2=O)cc1 69388379 WZSDQPDPDHEUJM-WBVHZDCISA-N 346.427 1.729 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 71830547 WWDHGIKDGRZULF-OAHLLOKOSA-N 341.415 1.650 0 40 EDAB CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(OC)ccc1OC 71800150 NIUYUGOFBIFLKQ-GFCCVEGCSA-N 328.434 1.466 0 40 EDAB CN1CCC(N(C)CCN(C)C(=O)c2ccc(N(C)C)nc2)CC1 71841813 VMENBHITKGENCC-UHFFFAOYSA-N 333.480 1.246 0 40 EDAB Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1ccn(C(C)C)n1 83733921 NHBZJJIHMFRXRJ-CQSZACIVSA-N 331.424 1.741 0 40 EDAB CN(CCOC(=O)[C@@H](CO)NC(=O)c1ccccc1)c1ccccc1 83860969 CJDWPFFPXYAQGQ-QGZVFWFLSA-N 342.395 1.457 0 40 EDAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(C)C1=O 71915578 PFFZVONKEJHCEL-JKSUJKDBSA-N 345.443 1.486 0 40 EDAB CCCCN(CCO)CC(=O)Nc1ccc2c(c1)CCN2C(C)=O 71927978 WQXQFQOQEFBGPH-UHFFFAOYSA-N 333.432 1.629 0 40 EDAB CCOCCO[C@H](C)C(=O)N(CCNC(C)=O)Cc1ccccc1 72287907 KFEFDGVSLJNSLL-OAHLLOKOSA-N 336.432 1.593 0 40 EDAB Cc1cnn(CCNCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 72267508 WWGUMRIDFUOQMG-GOSISDBHSA-N 341.459 1.172 0 40 EDAB CCCS(=O)(=O)CC(=O)NCCc1c[nH]c2ccc(F)cc12 72286848 BOEVWNSZDRURDW-UHFFFAOYSA-N 326.393 1.791 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(Cc2cccnc2)C1 84304269 DYJCEYKSZQYDCW-INIZCTEOSA-N 326.448 1.794 0 40 EDAB Cc1nccn1CCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 95396082 UKZKQPIAVFHVAS-FUHWJXTLSA-N 340.427 1.917 0 40 EDAB O=C(Cc1cn2ccsc2n1)NCc1nc(-c2ccccn2)no1 95397317 DOKZOSAUKOHQRQ-UHFFFAOYSA-N 340.368 1.700 0 40 EDAB CCC[C@@H](NC(=O)c1cc(Br)cn1C)c1nnn[nH]1 95965247 NWVFYYPFHDJFOQ-MRVPVSSYSA-N 327.186 1.572 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 89496993 PVGNCBBITGHJHV-HZSPNIEDSA-N 325.453 1.842 0 40 EDAB NC(=O)C1(CNCc2cnn(-c3ccc(F)cc3)c2)CCOCC1 86250475 AFKZDJUNEBZNSJ-UHFFFAOYSA-N 332.379 1.383 0 40 EDAB c1cc2nccc(NC[C@H]([C@@H]3CCOC3)N3CCOCC3)c2cn1 75094571 BMLMIRFAICDZHY-RDTXWAMCSA-N 328.416 1.779 0 40 EDAB Cc1nccn1-c1ccc([C@@H](C)NCCN2CCCS2(=O)=O)cc1 89519503 FNTOAFIRFUAELE-CQSZACIVSA-N 348.472 1.867 0 40 EDAB Cc1c(CS(C)(=O)=O)cccc1NCC(=O)NCc1ccco1 75140313 FDKKCPYUODFSBY-UHFFFAOYSA-N 336.413 1.861 0 40 EDAB C[C@H](O)CNc1nc2ccccc2n1Cc1nsc(N(C)C)n1 89720123 YFYCEJOCRBHYMX-JTQLQIEISA-N 332.433 1.795 0 40 EDAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 24051096 BJKIIRIHUFGRFA-UHFFFAOYSA-N 343.401 1.708 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3nccs3)C[C@@H]1C2 306143155 XUSFEMOHOYTHDF-RYUDHWBXSA-N 346.460 1.177 0 40 EDAB COc1ccc(-c2nnc(CN(C)C(=O)[C@@H]3CCCO3)o2)cc1OC 408714032 GZAVJSYLGQYJHF-ZDUSSCGKSA-N 347.371 1.891 0 40 EDAB COc1ccccc1-n1cnc2cc(C(=O)NCCO)ccc2c1=O 32124040 CKXIHGBHAMVGNR-UHFFFAOYSA-N 339.351 1.116 0 40 EDAB biogenic COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 218095651 LFYXCTKVCKRHEA-KSZLIROESA-N 347.436 1.572 0 40 EDAB Cc1ncccc1CNC(=O)N1CCC(N2CCCNC2=O)CC1 528259830 ZVWXQYRYIAHZFI-UHFFFAOYSA-N 331.420 1.479 0 40 EDAB O=C1N[C@]2(CCCN(C(=O)CCn3cccn3)C2)Oc2ccccc21 72347574 JSFDZMCFPGAERF-GOSISDBHSA-N 340.383 1.414 0 40 EDAB C[C@@H]1CN(C(=O)NCc2nc(COc3ccccc3)n[nH]2)[C@H](C)CO1 185903290 CMRYSNZTHLGMEC-CHWSQXEVSA-N 345.403 1.703 0 40 EDAB Cn1c(NC(=O)c2cnc3sccn3c2=O)nc2ccccc21 32610764 VPVFCKJTLJVTQN-UHFFFAOYSA-N 325.353 1.895 0 40 EDAB O=C1C[C@@H](C(=O)Nc2nccs2)N2C(=O)c3ccccc3[C@H]2N1 1565525011 WIVMNAXVWZFJRX-JQWIXIFHSA-N 328.353 1.125 0 40 EDAB Cc1cc([C@@H](O)CNC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)o1 1565519958 AETGSCMVICHJLJ-WBMJQRKESA-N 330.384 1.923 0 40 EDAB Cc1ncccc1Oc1nccnc1[C@H]1CCCN(CC(N)=O)C1 72383602 LMIVLYDWMIKYBZ-ZDUSSCGKSA-N 327.388 1.637 0 40 EDAB CN(C)c1cccc(S(=O)(=O)N2CCC(F)(F)[C@@H](C(=O)O)C2)c1 560418541 XQQFCAUMWYNVKT-GFCCVEGCSA-N 348.371 1.483 0 40 EDAB COCCNc1ccc(C[C@@H]2CCCN(Cc3ncc[nH]3)C2)nn1 72387293 HEMGROGRDAYCLI-AWEZNQCLSA-N 330.436 1.713 0 40 EDAB CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@H]2CCN(C)C2)cc1 79682529 NVCLFSJFNWUXHO-MRXNPFEDSA-N 329.444 1.951 0 40 EDAB CN(C(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)C1CCCC1 44847971 KDBPWDPQOBADDH-UHFFFAOYSA-N 339.461 1.944 0 40 EDAB Nc1ccc(-c2ccc(N3C(=O)N[C@H]4CS(=O)(=O)C[C@H]43)cc2)cc1 40167325 FAGKCBLWLBUXOA-JKSUJKDBSA-N 343.408 1.631 0 40 EDAB Cn1nc(C(=O)NCc2ccccn2)cc1NC(=O)c1ccccc1 40761904 JCHPXRLQTGXZOQ-UHFFFAOYSA-N 335.367 1.997 0 40 EDAB CC1(C)C(=O)Nc2ccc(NC(=O)[C@H]3CSCCC(=O)N3)cc21 226753261 YUUIOACMOMLUFY-GFCCVEGCSA-N 333.413 1.477 0 40 EDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)Cc3cccs3)C2)n1 225400350 DQLPWULKXQMTKN-GFCCVEGCSA-N 332.429 1.827 0 40 EDAB CCOc1ccc(NC(=O)C[C@H]2Cn3nc(C)nc3NC2=O)cc1 40386673 FSKUHMCTOCEYPF-NSHDSACASA-N 329.360 1.582 0 40 EDAB CCN(CC)CCS(=O)(=O)N1CCCc2cc(C(=O)O)ccc21 571997543 DEEJPOXIJFOPNQ-UHFFFAOYSA-N 340.445 1.809 0 40 EDAB COCCN1CC[C@@H](CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 195554704 SVDORNUSOOYJTQ-GOEBONIOSA-N 335.452 1.615 0 40 EDAB CCc1ccccc1S(=O)(=O)Nc1nnc(-c2cnn(C)c2)o1 194755339 UXRFYJUBBHDYRA-UHFFFAOYSA-N 333.373 1.833 0 40 EDAB CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)C1 225411176 WDXDXCQVGZYVLZ-QEHJDLSMSA-N 332.404 1.894 0 40 EDAB O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(Cc3ccccn3)C[C@H]21 96065240 DXTKXIKTGHJFIE-BMFZPTHFSA-N 339.399 1.205 0 40 EDAB CC1CCN(C[C@@H]2OC[C@H](NC(=O)Cc3ccccc3)[C@H]2O)CC1 514288530 HHPHLERHKLBDCL-JENIJYKNSA-N 332.444 1.206 0 40 EDAB biogenic,in-vitro O=C(N1CCCC1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 96055061 CQNHOIKUOVSLAZ-IRXDYDNUSA-N 330.432 1.573 0 40 EDAB Cc1cc(=O)c(OCC(=O)N2CCO[C@@H](c3ccccc3)C2)c[nH]1 95477297 MMRRFMYFNGVKLC-QGZVFWFLSA-N 328.368 1.662 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)C1 96203200 VQIPYGJQYCJTGW-QFBILLFUSA-N 343.427 1.744 0 40 EDAB CC(C)[C@@H](C(=O)NCCc1ccco1)n1nnc2ccccc2c1=O 95476024 QJLNHCACWMOUFY-INIZCTEOSA-N 340.383 1.941 0 40 EDAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccno2)C1 96108480 YFFAITCWDSCYIC-WBMJQRKESA-N 348.428 1.318 0 40 EDAB CS(=O)(=O)N1CCOCC12CCN(Cc1cccs1)CC2 96048922 KFIIUIHLLFEWPP-UHFFFAOYSA-N 330.475 1.375 0 40 EDAB Cc1cc(C)cc(CN2CCN3C[C@H](C(=O)O)CN(C)C[C@@H]3C2)c1 96184903 HAAJGIZHSDYHTL-QZTJIDSGSA-N 331.460 1.436 0 40 EDAB COc1cccc(C(=O)N2CC[C@@H](N3CCCC3)C[C@@H]2C(=O)O)c1 96100116 REZYAJDSJYCAKZ-GDBMZVCRSA-N 332.400 1.849 0 40 EDAB CCn1cc(S(=O)(=O)NCC2CCN(CC(F)F)CC2)cn1 583652146 ZKJVDZBGYSKCQK-UHFFFAOYSA-N 336.408 1.158 0 40 EDAB CC(C)n1cc([C@@]2(O)CCCN(C(=O)CCc3ccoc3)C2)nn1 583617709 IASANAJZZFYAHT-QGZVFWFLSA-N 332.404 1.895 0 40 EDAB COCc1cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)no1 583619643 SPICFQCDNIJJFP-BLLLJJGKSA-N 347.419 1.367 0 40 EDAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)NC3CC3)C2)CC1=O 96239407 UAUSPWYFFGJVLQ-KRWDZBQOSA-N 332.404 1.588 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(C)c1 583616474 ZTTXZKKQUWWPGG-ARFHVFGLSA-N 339.457 1.854 0 40 EDAB COC[C@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)c1cc(C)no1)C2 96219384 HMCIKQJXOILCMQ-CRAIPNDOSA-N 333.432 1.804 0 40 EDAB Cc1oncc1C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 96100516 LNXBHDAWMOXVHX-ZACQAIPSSA-N 343.383 1.967 0 40 EDAB O=C(c1ccoc1)N1CC[C@@H]2OCCN(CCN3CCCC3)[C@H]2CC1 96249370 NARFXCAGVUEGMS-ROUUACIJSA-N 347.459 1.681 0 40 EDAB Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CCN(C)C2=O)cc1 96461467 DKESCNSSRREVHR-LRDDRELGSA-N 341.415 1.772 0 40 EDAB Cn1nnc2c1[C@@H](COCc1ccncc1)CN(C[C@@H]1CCOC1)C2 96045492 VZWVRSRBTLVYAF-JKSUJKDBSA-N 343.431 1.363 0 40 EDAB Brc1nc(Br)n(C[C@@H]2CCOCO2)n1 95407122 RIKVUISBUJGAHX-YFKPBYRVSA-N 326.976 1.566 0 40 EDAB CC(C)c1cc(C(=O)Nc2nncs2)nc(N2CCOCC2)n1 96100948 BDDCCBLQZBOBSN-UHFFFAOYSA-N 334.405 1.540 0 40 EDAB CN(C)CCO[C@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1ccc(F)cc1)C2 247967280 GTNPARHOQQJJJQ-MAZHCROVSA-N 342.436 1.555 0 40 EDAB CCS[C@H]1CCCCN(C(=O)c2cccc(-n3[nH]nnc3=N)c2)C1 585131738 FFAWPRUUGXEAHP-AWEZNQCLSA-N 346.460 1.823 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@]2(C)CO)cc1 585114881 DFGJBNHBDCUSSY-CJNGLKHVSA-N 327.446 1.490 0 40 EDAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)Cc2cccnc2)n1 257200173 ACGSTJCGLALSRX-INIZCTEOSA-N 325.416 1.839 0 40 EDAB CCN(c1ccccc1)[C@@H]1COC2(CCN(CC(=O)NC)CC2)C1 257337538 YTEZGGUMAHXOFP-KRWDZBQOSA-N 331.460 1.882 0 40 EDAB Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CNC2 257289693 PZUYFOMWCRBZLB-OAHLLOKOSA-N 341.390 1.586 0 40 EDAB Cc1cccc(N2CCC[C@H](NC(=O)Cn3nc(C)ccc3=O)C2)n1 257338078 YVSPVSVMJRYWCZ-HNNXBMFYSA-N 341.415 1.040 0 40 EDAB CN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257222107 DRYXQFUVSYDSGQ-CKEIUWERSA-N 332.400 1.475 0 40 EDAB O=C(NC[C@]1(O)CCN(c2cnccn2)C1)C1CCC(F)(F)CC1 257302547 SDHSTJRITAKTDY-OAHLLOKOSA-N 340.374 1.360 0 40 EDAB COCc1c(C(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)noc1C 257232813 GMNPIZDGFCHFNG-OAHLLOKOSA-N 346.387 1.629 0 40 EDAB O=C(c1ccc(-n2cccc2)cc1)N1CC(CN2C(=O)CCC2=O)C1 618256483 SALDPRJROMDPOH-UHFFFAOYSA-N 337.379 1.698 0 40 EDAB CC[C@]1(C)COCCN1C(=O)C1CCN(C(=O)N2CCCC2)CC1 390832982 ABRSHWGLRGMGRT-GOSISDBHSA-N 337.464 1.942 0 40 EDAB CC(C)(C)C1=CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 390834656 LMQJZFWLEKBNPR-UHFFFAOYSA-N 344.477 1.748 0 40 EDAB Cc1nc2c(cc1C(=O)N(CC(=O)O)C1CCOCC1)c(C)nn2C 574519564 TZCQXBHTFHSPAA-UHFFFAOYSA-N 346.387 1.291 0 40 EDAB CNc1ncc(CN2CCC[C@H](O)[C@@H]2Cc2ccccc2F)cn1 585276354 ITXJUJBQIMWXLS-IRXDYDNUSA-N 330.407 2.225 0 40 EDAB CC(C)NC(=O)[C@@H]1CCC2(CCN(C(=O)Cc3ccn(C)n3)CC2)O1 585113445 IFPNJFZNMCEQAG-HNNXBMFYSA-N 348.447 1.027 0 40 EDAB CCn1cncc1CN1CCOC[C@](O)(COc2ccccc2C)C1 585277743 XNJAQJSKDIPDJR-IBGZPJMESA-N 345.443 1.854 0 40 EDAB O=C(C1CC(O)C1)N1CCN2C[C@H](OCc3ccccc3F)C[C@H]2C1 585107888 AXPAEWNQPBUIPB-ODZFXCKXSA-N 348.418 1.398 0 40 EDAB Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)c2nccn2C)C1 585276031 LHVYJYLGYIKXLK-SFHVURJKSA-N 345.399 1.011 0 40 EDAB COC(=O)CCCCCNC(=O)c1[nH]nc(C)c1Br 48889586 RMDOEIRXRPAXAZ-UHFFFAOYSA-N 332.198 1.944 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)N2CCc3ccccc32)n1 69568552 IGAQBQHXDLYHAT-QGZVFWFLSA-N 339.443 1.949 0 40 EDAB Cn1cc(-c2nc(CN3CCC[C@H]3Cn3cncn3)cs2)cn1 69601183 MEJJGNONDNJMTN-AWEZNQCLSA-N 329.433 1.800 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(C(N)=O)ccc1OC 68545222 CEODBNQAGOARHA-ZJUUUORDSA-N 336.392 1.219 0 40 EDAB O=S(=O)(NCCCn1cccn1)c1cnn(-c2ccccc2F)c1 76061716 RKPHTMSTCAAGSB-UHFFFAOYSA-N 349.391 1.577 0 40 EDAB COc1ccnc(CNC(=O)N2CCOC[C@@H]2c2ccc(F)cc2)n1 575603900 SBZLLIWTUDASHV-CQSZACIVSA-N 346.362 1.907 0 40 EDAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)C(=O)Nc1ccon1 1775968379 DXYBFIRMWLPYSC-SECBINFHSA-N 347.352 1.784 0 40 EDAB O=C(CSc1nncc(=O)[nH]1)Nc1ccccc1Br 11902829 OHYSGKSGRRLEDN-UHFFFAOYSA-N 341.190 1.658 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCn2c(nnc2C2CC2)C1 12158649 VNCDCCORSFWECE-UHFFFAOYSA-N 326.356 1.583 0 40 EDAB CC1(C)OC(=O)C[C@@H]1C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19460467 DMAPTFUBGTZCKK-TZMCWYRMSA-N 344.415 1.128 0 40 EDAB O=C1NCCN1C(=O)Nc1n/c(=N/Nc2ccccc2)ss1 6252352 VZKVBPNBWLKHAT-UHFFFAOYSA-N 336.402 1.690 0 40 EDAB COc1ccc(Cl)cc1NC(=O)NCCN1CCC(O)CC1 206610660 NOQFAZKDDQNZQL-UHFFFAOYSA-N 327.812 1.927 0 40 EDAB CCCCn1c(SCCNCCO)nnc1[C@H](CC)N(C)C 2639158 JARUMEMTFKAUOJ-ZDUSSCGKSA-N 329.514 1.765 0 40 EDAB O=C([C@H]1CN(c2nc(C3CC3)ns2)CCO1)N1CCSCC1 1888834664 AKNCYLNNOMGBER-LLVKDONJSA-N 340.474 1.196 0 40 EDAB CCc1cnc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)nc1 1888854643 KRCOKZXDFVXNTQ-UHFFFAOYSA-N 339.447 1.756 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)NC(C)C)C[C@H]4C3)n1)CCC2 1888863553 PFPFIWULKNMDGE-OKILXGFUSA-N 329.448 1.760 0 40 EDAB CCN=c1nc(N2CCN(Cc3cn4ccccc4n3)CC2)cc[nH]1 1889145797 FDLBNCSIIBQGGH-UHFFFAOYSA-N 337.431 1.300 0 40 EDAB O=C(c1cncc(Br)c1)N1CCC(n2ccnn2)CC1 155660163 UHINFKPLJZHASJ-UHFFFAOYSA-N 336.193 1.913 0 40 EDAB COC[C@@H]1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CN1CC1CC1 1614946450 VBZIKSORERDJST-HNNXBMFYSA-N 347.463 1.168 0 40 EDAB CCc1ccc(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 4386363 ABDLBRFTOIBARG-UHFFFAOYSA-N 337.383 1.546 0 40 EDAB COc1cccc(C(=O)NCCn2nc(-c3ccco3)ccc2=O)c1 8954565 FZDKSXIDXUQMIP-UHFFFAOYSA-N 339.351 1.942 0 40 EDAB CCOc1c(CC)cnc2c1c(=O)n(Cc1cccnc1)c(=O)n2C 9571786 JLVLAIDLFFMKRO-UHFFFAOYSA-N 340.383 1.500 0 40 EDAB O=C(C[C@H]1CSc2nccc(=O)n21)N1CCc2ccccc2C1 12236142 RAKBMEBSNASVNB-AWEZNQCLSA-N 327.409 1.865 0 40 EDAB CCCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713811 NXKBVKQRQBYVPM-CQSZACIVSA-N 332.448 1.940 0 40 EDAB CCCc1nnsc1C(=O)N1CCC[C@H](Oc2cccnn2)C1 225455085 AWORBKCNXBHWRE-NSHDSACASA-N 333.417 1.964 0 40 EDAB O=C1COC(=O)N1CC1CN(C(=O)C2(c3ccc(F)cc3)CC2)C1 575616731 OQRPEOYPMZGRGV-UHFFFAOYSA-N 332.331 1.295 0 40 EDAB CCN(CC)c1ccc(CNC(=O)[C@H]2C(=O)NC[C@@H]2C(C)(C)C)cn1 585149551 GNCXKMSKHYYVFM-HOCLYGCPSA-N 346.475 1.952 0 40 EDAB COCCOc1cc(CNC(=O)[C@@H]2C(=O)NC[C@@H]2C(C)(C)C)ccn1 585149578 IGWMZAQKAKJBAL-DZGCQCFKSA-N 349.431 1.131 0 40 EDAB Cc1cc(-c2noc(CNC(=O)c3cc(-c4ccco4)n[nH]3)n2)no1 225811742 ZDNFULHFLSLKEQ-UHFFFAOYSA-N 340.299 1.946 0 40 EDAB COc1cccc(CNC(=O)c2c(O)nc3c(C)cccn3c2=O)c1 9830134 TYPQAWUUIVTVJC-UHFFFAOYSA-N 339.351 1.647 0 40 EDAB CCC(=O)N[C@@H]1C[C@@H](c2nc(-c3cccnc3)nn2C)CC[C@H]1O 2332241745 ZTVOOBZFTOYGKJ-IACUBPJLSA-N 329.404 1.400 0 40 EDAB C[C@H](NC(=O)N1CCCCCC1)c1ccc(S(N)(=O)=O)cc1 40477823 DFSBMYBMDHFOGQ-LBPRGKRZSA-N 325.434 1.981 0 40 EDAB CN1CCN(C(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)CC1 40480589 DAPQFALPDYCGOI-UHFFFAOYSA-N 337.342 1.171 0 40 EDAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCOCC1 20439971 KVVUWSCTRMEERJ-UHFFFAOYSA-N 347.371 1.234 0 40 EDAB CN(C(=O)CN(C)S(=O)(=O)c1cccnc1)C1CCCCC1 40516068 BIPFMKKBAXAEPL-UHFFFAOYSA-N 325.434 1.493 0 40 EDAB COc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)c(O)c1 40535623 ZPDCMMXGLQZPNN-UHFFFAOYSA-N 328.372 1.590 0 40 EDAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 31998377 MFYBBFZPICVEIK-UHFFFAOYSA-N 331.397 1.228 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)Cn3ccccc3=O)CC2)cc1 7106672 BVEKTSJHXSIDAN-UHFFFAOYSA-N 339.395 1.400 0 40 EDAB Cc1ccc([C@@H]2C[C@H]2C(=O)NCCN2CCS(=O)(=O)CC2)s1 101642704 UIXAZIRQWVIJPG-CHWSQXEVSA-N 342.486 1.007 0 40 EDAB Cc1cnn(C[C@@H](C)NCC(=O)NCCOc2ccc(F)cc2)c1 69709166 KFQFCZIJURMMJY-CQSZACIVSA-N 334.395 1.504 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1OC 3497809 ONALXKPBBUCFGI-MRVPVSSYSA-N 328.752 1.740 0 40 EDAB CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 3597250 HHYWFAXDEYTRHS-LLVKDONJSA-N 333.344 1.320 0 40 EDAB O=C(Cn1ccccc1=O)N1CCN(C(=O)NC2CCCCC2)CC1 32796089 BPKBYZDLPOOKTI-UHFFFAOYSA-N 346.431 1.035 0 40 EDAB O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)c1ccccc1 4139877 OGDRVDIFCVTTEV-UHFFFAOYSA-N 331.335 1.860 0 40 EDAB CCOc1ccccc1-c1noc(CNC[C@@H]2CN(C)CCO2)n1 69776780 NUPXICARKMZNKA-CYBMUJFWSA-N 332.404 1.556 0 40 EDAB COC(=O)CN(CCN1CCOCC1)C(=O)/C=C/c1cccc(C)c1 69771511 GTIHOECWOZNDCJ-VOTSOKGWSA-N 346.427 1.342 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 41131391 GVSQGQMHVOBJPL-LBPRGKRZSA-N 331.347 1.747 0 40 EDAB CS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)O)o2)cc1 4832065 ZNNGJMJOGXWDEC-UHFFFAOYSA-N 329.359 1.285 0 40 EDAB COCCCNC(=O)CN1C(=O)[C@H](C(C)C)Oc2ccc(C)cc21 4970841 FQJHRTFPJDKSMS-KRWDZBQOSA-N 334.416 1.898 0 40 EDAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OC(C)C 4998003 MYCODKORHUHYBQ-IZZDOVSWSA-N 334.328 1.460 0 40 EDAB CC(C)NC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl 6327643 VVEMMXYCRXSFHF-UHFFFAOYSA-N 325.217 1.796 0 40 EDAB CCc1[nH]ncc1C(=O)N1CCCN(Cc2cnn(CC)c2)CC1 69778805 JLKAJSYPUYOBKM-UHFFFAOYSA-N 330.436 1.537 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1=O 46483873 XGSDHDZLQQVQPO-CHWSQXEVSA-N 337.420 1.267 0 40 EDAB CCCCCNC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 69775947 UMJVZWQELGVXFF-LBPRGKRZSA-N 328.438 1.863 0 40 EDAB Cc1nnc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)s1 52737289 LSDULHJTTDDTSJ-UHFFFAOYSA-N 338.414 1.639 0 40 EDAB Cc1ccc(NC(=O)CSc2ccccn2)cc1S(N)(=O)=O 8728739 HRDVZTLTDQDENU-UHFFFAOYSA-N 337.426 1.768 0 40 EDAB COc1ccc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)cn1 10991700 HDPGRIVEZDNOGU-UHFFFAOYSA-N 338.367 1.425 0 40 EDAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCN(C)CC3)CCC(=O)N2C)cc1 57355960 RYAUZZGYKSNYDX-WMZOPIPTSA-N 329.444 1.679 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CC[C@@H]1c1ccccc1 53080290 ISZPSKNOJZYIHM-CQSZACIVSA-N 327.384 1.825 0 40 EDAB C[C@@H](CNC(=O)Cn1ncc(=O)c2ccccc21)Cn1cccn1 53544830 YNGFVUKMITVBRG-ZDUSSCGKSA-N 325.372 1.046 0 40 EDAB COc1ccc([C@@H](CNC(=O)c2ccccn2)N2CCOCC2)cc1 22686090 CZIMCQPPDUHVRB-GOSISDBHSA-N 341.411 1.894 0 40 EDAB CN1CCN(CCNC(=O)CCc2nnc(-c3ccccc3)o2)CC1 53718077 IVBSBPCGAWHCMW-UHFFFAOYSA-N 343.431 1.033 0 40 EDAB C[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@H]1C[C@H]2CC[C@H]1C2 104862765 ZHMXZVRYWUVGNW-UKTARXLSSA-N 349.456 1.425 0 40 EDAB COCCN1CC2(CCN(C(=O)c3ccncc3F)CC2)CC1=O 108532419 VHXHYBBWNLXDBZ-UHFFFAOYSA-N 335.379 1.322 0 40 EDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)NC(CC)CC)c(=O)c12 7553327 JULCWWAHGIIBFJ-UHFFFAOYSA-N 349.387 1.779 0 40 EDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCC(C(N)=O)CC1 24775875 RGGOBCFTNGQJMM-ZDUSSCGKSA-N 337.445 1.226 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCC2CC2)c(C)c1NS(C)(=O)=O 55236900 JNDWKYBGKITFBV-UHFFFAOYSA-N 346.474 1.672 0 40 EDAB CC(C)N1CCCc2sc(C(=O)NCCN3CCOCC3)nc21 101895408 GHIFBKFBIXIMRF-UHFFFAOYSA-N 338.477 1.366 0 40 EDAB COC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1NN 1387929 MDCJRJYAGXGFPT-UHFFFAOYSA-N 328.250 1.324 0 40 EDAB NC(=O)c1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1 25514550 RKXNHBYHDFPAFM-CYBMUJFWSA-N 327.340 1.622 0 40 EDAB Cc1cc(N2CCN(C(=O)c3csnn3)CC2)nc(C(C)C)n1 56278449 UOYSSBBFHMEKAJ-UHFFFAOYSA-N 332.433 1.722 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3cnns3)CC2)cc1F 47816780 AAOJLGVQKPFPEI-UHFFFAOYSA-N 336.392 1.644 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2F)CC1 61205518 HNNLALPBHMLKQN-UHFFFAOYSA-N 342.436 1.846 0 40 EDAB CCOc1ccc([C@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)cc1 57896131 FQGHGEWDAXQWIN-QGZVFWFLSA-N 343.427 1.820 0 40 EDAB C[C@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)c2ccc[nH]2)C1=O 27291562 OCKRBYRGXVJTSZ-LLVKDONJSA-N 325.324 1.749 0 40 EDAB COC(=O)c1ccc(OC(C)C)c(NCC(=O)N2CCNC2=O)c1 58289218 MHDLXWOYFRAANX-UHFFFAOYSA-N 335.360 1.224 0 40 EDAB CCN1C[C@H](C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1=O 58217950 ZUUWUKFXCPCOSD-CYBMUJFWSA-N 330.363 1.496 0 40 EDAB C[C@H]1COCCN1C(=O)c1ccc(=O)n(CCOc2ccccc2)n1 44912484 FYYWNOXYIFONES-AWEZNQCLSA-N 343.383 1.183 0 40 EDAB Cn1cc(-c2nc(C(=O)NCCCN3CCCC3=O)cs2)cn1 44966862 FCVUWCFTUBCCNK-UHFFFAOYSA-N 333.417 1.286 0 40 EDAB CN(CCCNS(=O)(=O)c1ccc(C(=O)O)cc1)c1ccccn1 44936191 BXESKOYVSVWQKT-UHFFFAOYSA-N 349.412 1.585 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCc2cccc(Cl)c2)o1 44918173 PJFNPXBUBXUGNV-UHFFFAOYSA-N 328.777 1.771 0 40 EDAB NC(=O)c1ccc(OCC(=O)NC[C@H](O)c2cccc(Cl)c2)cc1 58327279 JKAJNDAOULLADM-HNNXBMFYSA-N 348.786 1.668 0 40 EDAB CCOc1ccccc1[C@@H]1NC(=O)N[C@](O)(C(F)(F)F)[C@@H]1C(C)=O 26503468 FUISURMLOMPFRD-MBNYWOFBSA-N 346.305 1.895 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)N[C@@H](C)CN1CCOCC1)CO2 48221374 HHWMSCIIJFWXQI-AWEZNQCLSA-N 346.427 1.698 0 40 EDAB C[C@@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)C[C@H]1CCCO1 45359797 DTDIYYACNAABKY-SMDDNHRTSA-N 329.393 1.424 0 40 EDAB CCCN(CC(=O)NC)C(=O)[C@@H](c1ccccc1)N1CCSCC1 58824991 ASKMKGJHGGHQDA-QGZVFWFLSA-N 349.500 1.761 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccc(C(C)=O)cc2)C1 12727853 NFPBPMIUEGCUDJ-IAGOWNOFSA-N 349.427 1.904 0 40 EDAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 36624699 FWXIIPDENDQBCL-INIZCTEOSA-N 345.443 1.565 0 40 EDAB Cc1cc(OCC(=O)NCc2cccc(NS(C)(=O)=O)c2)no1 11360317 FHKGNNGPQLSRFI-UHFFFAOYSA-N 339.373 1.050 0 40 EDAB CC(C)(C)NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 11591255 HYJZWWPYLVXKDM-QGZVFWFLSA-N 331.372 1.131 0 40 EDAB Cc1cc2ncn(C[C@@H](O)CN[C@@H](C)CN3CCCC3=O)c2cc1C 48345992 LKTLMRWYDCGHKR-HOTGVXAUSA-N 344.459 1.615 0 40 EDAB CCOC(=O)c1cccnc1NCc1ccc(S(N)(=O)=O)cc1 48314501 SOCVLUGERCPTFV-UHFFFAOYSA-N 335.385 1.518 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(C(N)=O)ccc1OC 68545221 CEODBNQAGOARHA-VHSXEESVSA-N 336.392 1.219 0 40 EDAB O=C1[C@@H](N2CCC[C@H](OCCO)C2)CCN1c1cccc(Cl)c1 177181433 TUQJOEAXSMVSCQ-HOTGVXAUSA-N 338.835 1.919 0 40 EDAB O=C(O)c1csc(S(=O)(=O)NCCOc2ccccc2)c1 13308930 LZCQAJMHQDZAQW-UHFFFAOYSA-N 327.383 1.804 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)NC2(C(=O)O)CCCCC2)c1 13426274 WMEQXAAIYHMEME-UHFFFAOYSA-N 339.413 1.749 0 40 EDAB O[C@@H](COc1ccccc1)CN1CCN(CCc2ccccn2)CC1 69926659 MUTOLAJCTWGBNS-LJQANCHMSA-N 341.455 1.682 0 40 EDAB COCCN1COc2ccc3c(C)c(CC(=O)OC)c(=O)oc3c2C1 13681930 CBGCLXXWLUUKDF-UHFFFAOYSA-N 347.367 1.615 0 40 EDAB O=S(=O)(NC1CCCC1)c1cccc(S(=O)(=O)NC2CC2)c1 69980897 NEMYARYRCMZJSF-UHFFFAOYSA-N 344.458 1.348 0 40 EDAB O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccc2c(c1)OCCO2 4223172 YZHAPWLGJMKRMX-IHRRRGAJSA-N 345.399 1.186 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)CS(=O)(=O)C3CCCC3)C2)c1 69925296 HOYKQXACNBBWRX-CQSZACIVSA-N 339.461 1.712 0 40 EDAB COCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O 4349105 OIYIRVRNLHAFEO-UHFFFAOYSA-N 337.379 1.826 0 40 EDAB O=C(NC(=S)N[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl 4387603 SCCIKLYWDJAIGC-QMMMGPOBSA-N 332.834 1.131 0 40 EDAB Cc1oc(C)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1C 8274668 VYGNOUWWPXDSEF-UHFFFAOYSA-N 336.413 1.825 0 40 EDAB CN(CCNC(=O)C1CCN(C(=O)c2cccnc2)CC1)C1CC1 65443402 FRLICCWMZCSWEP-UHFFFAOYSA-N 330.432 1.144 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)[C@@H]1Cc3cc(Cl)ccc3O1)CC2 65463419 GTLXZDNLZTUUQV-JSGCOSHPSA-N 332.791 1.675 0 40 EDAB C[C@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)[C@H]1CCCO1 65434429 PMXNQOTWXLSPRR-GOEBONIOSA-N 347.463 1.200 0 40 EDAB Cc1sc2ncnc(SCc3cc(=O)n(C)c(=O)n3C)c2c1C 14076595 AAIHYIADYIBJFC-UHFFFAOYSA-N 348.453 1.998 0 40 EDAB Cc1ccccc1[C@@H](C)NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 14061042 KQBUAPMOXIXLGE-CYBMUJFWSA-N 337.379 1.876 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCCC[C@H]1C(N)=O 65513311 TWOQRIKPLNKXBA-KRWDZBQOSA-N 340.427 1.898 0 40 EDAB NC(=O)[C@H]1CC(C(=O)NCCc2ccco2)=NN1c1ccccc1 65522199 IANUQKYDDKAWRY-OAHLLOKOSA-N 326.356 1.059 0 40 EDAB CCCCNC(=O)CN(c1ccc(C(=O)OC)cc1)S(C)(=O)=O 65519422 QRCWBVYIXSVVAN-UHFFFAOYSA-N 342.417 1.156 0 40 EDAB CCOC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCCO2 65551063 LQCDHOZLNDSKAF-AWEZNQCLSA-N 333.384 1.945 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1ncnc2sccc12 69326521 FHXFDCMKGQQPQL-AAEUAGOBSA-N 332.429 1.955 0 40 EDAB CN(C(=O)c1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 14181460 XMOJNJGQTRHURV-JTQLQIEISA-N 337.319 1.844 0 40 EDAB COc1cc2oc(=O)c(CC(=O)N3CCOCC3)c(C)c2cc1OC 4742508 FKBUXKFDCHNTHI-UHFFFAOYSA-N 347.367 1.520 0 40 EDAB CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O 14880005 CJDRUOGAGYHKKD-NAUDVCQYSA-N 326.440 1.555 0 40 EDAB in-vitro CN(C1CCCCC1)S(=O)(=O)NCC(=O)Nc1ccccc1 69444029 BKNCKULWJIEWAK-UHFFFAOYSA-N 325.434 1.724 0 40 EDAB Cn1cc([C@@H]2CN(C(=O)NC3CC3)CC[C@H]2N2CCCCC2)cn1 306144507 ZHIQRENGAYCLMD-DLBZAZTESA-N 331.464 1.936 0 40 EDAB C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)N1CCOCC1 66934545 WVNSWBDDWFPNHI-HIFRSBDPSA-N 326.418 1.025 0 40 EDAB Cc1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1-n1nnnc1C 69537291 ZCPMWQWGJHSMRJ-UHFFFAOYSA-N 346.391 1.742 0 40 EDAB C[C@H](CNC(=O)N1CC[C@H](Oc2cccnc2)C1)Cn1cccn1 89900812 XAZRZUBMWIAQPY-ZBFHGGJFSA-N 329.404 1.777 0 40 EDAB COC(=O)c1oc(CN2CCN(c3nc(C)ns3)CC2)cc1C 84124116 ACNXIZIJGJHXRY-UHFFFAOYSA-N 336.417 1.857 0 40 EDAB Cc1cc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)c(C)s1 97012665 KPRMXDGACYSJTG-CYBMUJFWSA-N 341.458 1.861 0 40 EDAB Cc1cc(C)cc(OC[C@H](O)Cn2cnc3cnccc3c2=O)c1 97080171 DHANEYGCWCHRMS-CQSZACIVSA-N 325.368 1.848 0 40 EDAB CCc1nsc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1 97081344 YWFCCJSMYCDINA-GFCCVEGCSA-N 344.506 1.931 0 40 EDAB O=S(=O)(CC1CCOCC1)N1CC[C@H](Oc2cccnc2)C1 97015769 BMSMCVOBYULSSN-HNNXBMFYSA-N 326.418 1.291 0 40 EDAB CN(C)c1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 9322937 CARIHCVRZOUVBW-UHFFFAOYSA-N 344.415 1.946 0 40 EDAB CC(C)[C@@](C)(N)CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 72284406 FKDAQSUIGYFGOB-AWEZNQCLSA-N 348.490 1.279 0 40 EDAB Cc1ccc(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)cc1C 71821170 CZDXEHUOSBASCX-HNNXBMFYSA-N 345.399 1.271 0 40 EDAB CCC(=O)N1CCCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 71817057 ONSRRWOOQKVDMG-UHFFFAOYSA-N 328.416 1.447 0 40 EDAB CCN1CCN(C[C@@H](O)COc2ccc3c(C)cc(=O)oc3c2)CC1 19912326 CLDQJIAOGPECPO-OAHLLOKOSA-N 346.427 1.479 0 40 EDAB CN1CCC[C@H](NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1 83877755 MUGOFYWEYBCRHW-DZPQGLOJSA-N 333.476 1.529 0 40 EDAB CCN(CC)c1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cn1 72272136 CHXCXWFKWGKFHO-HNNXBMFYSA-N 328.420 1.997 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)NCC3(O)CCC3)cn2)C[C@@H](C)O1 71915964 FNLHNWVERXZFSC-BETUJISGSA-N 334.420 1.732 0 40 EDAB O=C(c1cc(=O)c2ccccc2o1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269465 OGCYXUOLNSFZJF-GJZGRUSLSA-N 342.395 1.464 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(CCc2ccncc2)C1 84304196 HXEFNFOORYHVLB-KRWDZBQOSA-N 340.475 1.836 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)CCC[C@H]2C)n(C)c1 76022788 RWYGSRUAEQSWDH-VXGBXAGGSA-N 327.450 1.584 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)C[C@@H]1N1CCOCC1 76053897 FRHBQJIDZXBHAT-OIISXLGYSA-N 330.428 1.732 0 40 EDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1ccncc1 72404740 DNEHFUWHEFWVSZ-UHFFFAOYSA-N 339.399 1.552 0 40 EDAB Cc1ccc(F)c(N2CCC[C@@H](Nc3ccc4nnnn4n3)C2=O)c1 95398160 JLDCNDGPSTYGIT-GFCCVEGCSA-N 341.350 1.574 0 40 EDAB Cc1nc(C)c(CCC(=O)N2CCN(CC(F)(F)F)CC2)c(=O)[nH]1 78486227 VXIUOEZROWELHZ-UHFFFAOYSA-N 346.353 1.026 0 40 EDAB CCN1CCOC[C@H]1C(=O)NCc1ccccc1Cn1cccn1 95453089 LDEYRMZGORINPF-KRWDZBQOSA-N 328.416 1.268 0 40 EDAB C[C@H](NC(=O)CN1CCn2c(nnc2C2CC2)C1)c1cccs1 78787929 JKAFVJAJDSCLKP-NSHDSACASA-N 331.445 1.910 0 40 EDAB CN1CCN(c2cc(C(=O)Nc3cc(F)ccc3O)ccn2)CC1 95443648 YMPKWXXABLNEFY-UHFFFAOYSA-N 330.363 1.930 0 40 EDAB CNC(=O)NCC(=O)NCCc1cc(Cl)ccc1Br 95446028 LXWFXYYXDUASPN-UHFFFAOYSA-N 348.628 1.690 0 40 EDAB Cc1cc(OCC(=O)N2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)no1 78889171 DWXFCPPURWUFMY-LLVKDONJSA-N 335.364 1.203 0 40 EDAB O=C(NCCCN1CCOCC1)NC[C@H]1C[C@@]12CCc1ccccc12 88478478 JOXWLGBUQOBFGM-XLIONFOSSA-N 343.471 1.912 0 40 EDAB CC[C@@](C)(CC(=O)O)NC(=O)CCc1nc(-c2ccccn2)no1 95989451 DEMVGXGCQCFCKX-INIZCTEOSA-N 332.360 1.824 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(CC(F)(F)F)CC1(C)C 95986107 HFENXXAVXGREMK-UHFFFAOYSA-N 347.385 1.924 0 40 EDAB Cc1ccc(NC(=O)N2CC[C@@H](CN(C)C)C2)cc1-n1cnnn1 95943860 UYYKBIHFEQTXML-ZDUSSCGKSA-N 329.408 1.386 0 40 EDAB CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 306135891 PDWBXKYTNXYWDK-ZIAGYGMSSA-N 343.406 1.471 0 40 EDAB CCS(=O)(=O)CC(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 75126369 GYIXEJJSJRNWEF-AWEZNQCLSA-N 326.418 1.024 0 40 EDAB Cc1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c(=O)[nH]1 75122891 ZWIACKVMNBPEHA-MRXNPFEDSA-N 339.395 1.777 0 40 EDAB COc1ccc(OCCCC(=O)NCCCN2CCN(C)CC2)cc1 22934646 HAQROHYEGUUCAU-UHFFFAOYSA-N 349.475 1.608 0 40 EDAB CCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 409195942 WYNNLHAVLJBLCI-UHFFFAOYSA-N 348.424 1.680 0 40 EDAB C[C@H]1Cc2c(NC(=O)[C@@H]3COc4ccccc4O3)nn(C)c2NC1=O 35597786 QLRJRKXFYFBVFW-ZANVPECISA-N 342.355 1.329 0 40 EDAB COC(=O)[C@@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(C)C 3098723 HVHUPLKHSHAJIC-KRWDZBQOSA-N 347.367 1.794 0 40 EDAB biogenic NC(=O)c1ccc(=O)n(Cc2cc(Br)ccc2Cl)n1 79031498 LVKVADZCBVFFME-UHFFFAOYSA-N 342.580 1.806 0 40 EDAB CCC[C@@H]1C[C@H]1C(=O)N(CC)CCNC(=O)[C@H]1COCCN1CC 1528937118 XUFWHAVLRKHGSF-BZUAXINKSA-N 339.480 1.108 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2(N)CN)cc1 218630700 QPHVQXMJYZQXFE-BBWFWOEESA-N 334.416 1.730 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)cc1 33028696 AJOQJINLGGLKDG-QWHCGFSZSA-N 340.445 1.763 0 40 EDAB O=C(c1cc2ncccn2n1)N1CCC(O)(c2cccnc2F)CC1 72340046 OPTUEWDPRQSFFG-UHFFFAOYSA-N 341.346 1.387 0 40 EDAB CC(=O)Nc1cccc(OCc2nc(C)c(CC(=O)O)c(=O)[nH]2)c1 217390645 VBBWFCZJRYAQAT-UHFFFAOYSA-N 331.328 1.243 0 40 EDAB O=C1CNc2ncnc(N3CCN(c4ccccc4F)CC3)c2N1 41121646 AUKAQUKSFXTPSL-UHFFFAOYSA-N 328.351 1.306 0 40 EDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCCC2)cc1 224265489 RTKGWXNUMKEIDK-UHFFFAOYSA-N 340.445 1.622 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NC[C@](C)(O)CCSC)c1 75157591 XNILPHRXHLIDJS-CQSZACIVSA-N 349.474 1.486 0 40 EDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)NCc3ccccc3)C2)nn1 225449388 NVTDIOBAHJSGHE-HNNXBMFYSA-N 341.415 1.906 0 40 EDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccc(C)c(C)c2)c1=O 222660781 DBGFNRLYSTUQMQ-UHFFFAOYSA-N 345.399 1.683 0 40 EDAB Cc1cc(N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)n[nH]1 225751706 ULBUWHHTLJZDKJ-UHFFFAOYSA-N 328.372 1.846 0 40 EDAB CC(=O)c1ccc(C(=O)N2CCN(c3nccnc3C)CC2)cc1O 332361046 JKMLFYWJZYDTIR-UHFFFAOYSA-N 340.383 1.656 0 40 EDAB COCCc1noc(CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)n1 96406636 IBSAGMOCRWWMOV-OAHLLOKOSA-N 344.415 1.886 0 40 EDAB c1ccc(CN2Cc3nccn3C[C@H](CN3CCOCC3)C2)nc1 96188500 RCNRURAJGCTCAI-MRXNPFEDSA-N 327.432 1.242 0 40 EDAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1nnc(N)n1C 96475620 JWANBEOWUYWFBJ-QMMMGPOBSA-N 341.387 1.987 0 40 EDAB O=C(c1cnccn1)N1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96072400 CPSHPORSQIMZMJ-QAPCUYQASA-N 340.383 1.462 0 40 EDAB CC(=O)N1CCN(C(=O)Nc2ccccc2)C[C@@]2(CC(=O)N(C)C2)C1 96143401 ANJXAVJCYQPJDO-GOSISDBHSA-N 344.415 1.231 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1occc1CN1CCOCC1)C2 97198737 KNSSDWIFRJJBFT-HNNXBMFYSA-N 344.415 1.362 0 40 EDAB Cn1nccc1C(=O)NCCC(=O)N[C@H]1CCCc2ccccc21 96192399 RODMVLJBZKRYAN-HNNXBMFYSA-N 326.400 1.734 0 40 EDAB O=C(c1c[nH]cn1)N1CCC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1 96073758 BXFSVVTWOTYBNZ-SJKOYZFVSA-N 345.378 1.820 0 40 EDAB O=C1C[C@@]2(CCN(c3cnccn3)C2)CN1c1ccc2c(c1)OCO2 96239018 QTNOHMPXXREESP-GOSISDBHSA-N 338.367 1.839 0 40 EDAB O=C(CN1C[C@@H](n2cccn2)Cc2ccccc21)N1CCNC1=O 96443520 WSMZCHDWCLHJTE-AWEZNQCLSA-N 325.372 1.039 0 40 EDAB CC(C)c1nnc2n1C[C@@H](NC(=O)c1cccnc1N(C)C)CC2 95957981 VJPKOYNWMLMDIW-LBPRGKRZSA-N 328.420 1.607 0 40 EDAB Cc1cc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)nn1C 96444811 METDQJGPPYUJGP-UHFFFAOYSA-N 332.326 1.259 0 40 EDAB CN(C)CCN1CCOC[C@@]2(C1)CN(Cc1cccs1)CCO2 96049771 UXOVFFIUPNLMJI-QGZVFWFLSA-N 339.505 1.213 0 40 EDAB CCc1ccc(CN2C[C@@H]3COC[C@@H](C(=O)N4CCOCC4)[C@@H]3C2)o1 96064464 SEHLQGNIXYNZPA-ZTFGCOKTSA-N 348.443 1.395 0 40 EDAB O=C([C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1)N1CCCCC1 96101435 GTNOQLMHEUYMDK-LLVKDONJSA-N 344.337 1.811 0 40 EDAB COc1cc(N2CCC3(CC2)CN(c2ccccn2)CCO3)ncn1 96158993 BVNUGOGLIFEBPX-UHFFFAOYSA-N 341.415 1.756 0 40 EDAB COCC(=O)N1CCC2(CC1)C[C@H](OCC1CCOCC1)CO2 96106702 KGCFMTFMTFVMSC-HNNXBMFYSA-N 327.421 1.226 0 40 EDAB O=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(CC3CCOCC3)C[C@H]2O1 97953822 UBQFJMBFTJLCMB-RYQLBKOJSA-N 348.443 1.802 0 40 EDAB CCn1cc(S(=O)(=O)N[C@H]2CCCN(CC(F)(F)F)C2)cn1 583651297 IVSPQCRUPHIBQB-JTQLQIEISA-N 340.371 1.208 0 40 EDAB CCc1nnc(C)cc1C(=O)N1CC[C@](O)(c2cn(C(C)C)nn2)C1 583618299 LFEVHMMOORPUHZ-QGZVFWFLSA-N 344.419 1.254 0 40 EDAB CO[C@@H]1CN[C@H](C(=O)NCc2ccc(Br)cc2C)C1 583617745 LUWXUFBLVLNDAJ-STQMWFEESA-N 327.222 1.751 0 40 EDAB O=C1CO[C@@]2(COCCN(Cc3ccco3)C2)CN1c1ccoc1 96051388 ULILUYLAIWNEIW-QGZVFWFLSA-N 332.356 1.507 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(CCCN(Cc3cnn(C)c3)C2)C1 96046999 WNDOUYATCYRUGV-HNNXBMFYSA-N 326.466 1.058 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2ccnc3ccccc23)Cc2ccnn21 247936084 HBKLFXARXBHZCU-INIZCTEOSA-N 335.367 1.374 0 40 EDAB Cc1cc(C(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)no1 257277829 NZQDHOFWYBXGCH-INIZCTEOSA-N 334.351 1.278 0 40 EDAB Cc1ccn(CCC(=O)N2CCOC[C@H](Cc3ccncn3)C2)n1 257307455 SYRNYOZUZIOJNR-OAHLLOKOSA-N 329.404 1.089 0 40 EDAB Cc1c[nH]c([C@@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 257340332 ZFODXCCOVATPAG-GFCCVEGCSA-N 326.356 1.642 0 40 EDAB O=S(=O)(Nc1ccnc(Cl)c1F)c1cnn([C@@H]2CCOC2)c1 585128766 NCGUPWTYPVVFIF-MRVPVSSYSA-N 346.771 1.833 0 40 EDAB O=C(C1CCC1)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 585129896 AVWIWSZGLLUABY-OLZOCXBDSA-N 348.365 1.861 0 40 EDAB COC(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc1nnc2ccccn12 585146035 YQWOARPYDHCVRT-LBPRGKRZSA-N 333.392 1.458 0 40 EDAB C[C@@H]1CN(Cc2ccncc2Br)CCS(=O)(=O)C1 585117506 ICPBTXJJBTYTQA-SNVBAGLBSA-N 333.251 1.711 0 40 EDAB CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H]3CN(C)CC[C@@H]32)n1 252507532 WNZKVBLEYXKPKR-KGLIPLIRSA-N 349.483 1.017 0 40 EDAB NC(=O)c1cc(C[C@H]2CCCN(Cc3cnccn3)CC2)ncn1 257213218 CGQQRHJCPSZFAL-ZDUSSCGKSA-N 326.404 1.210 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CCN1 257246609 IUVZJUNZZMLCDV-QGZVFWFLSA-N 339.395 1.639 0 40 EDAB C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2CCCN(c3ncccn3)C2)CCO1 273096212 DHBQRDUROALSLO-PMPSAXMXSA-N 347.463 1.950 0 40 EDAB C[C@H](NC(=O)Nc1ccc(OC(F)F)nc1)[C@@H](C)N1CCOCC1 283125222 NEQXFNKBMBFFDS-WDEREUQCSA-N 344.362 1.914 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NCC2(CO)CCOCC2)C1 1615001154 NAWJJOCLBCSVFK-RRFJBIMHSA-N 340.464 1.621 0 40 EDAB COc1cncc(NC(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)c1 1615586299 SUOSWCHSUPSYAB-UHFFFAOYSA-N 347.375 1.429 0 40 EDAB COCC(=O)NC[C@@H]1CN(C(=O)c2cccc(C)c2)Cc2ccnn21 575405865 KGKSKDHLPQCMFZ-MRXNPFEDSA-N 342.399 1.151 0 40 EDAB O=C(c1ccnc(F)c1)N1CC[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 585108310 YDBVCCDMFPGDRY-HZPDHXFCSA-N 333.407 1.794 0 40 EDAB CS(=O)(=O)NCC[C@H]1CN(C2CCOCC2)Cc2cccn2C1 585095104 FSRHOJFLCUIWKZ-CQSZACIVSA-N 341.477 1.038 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCCN(C(=O)c2ncccn2)C1 585279188 WXLZOTZPONUSIW-SFHVURJKSA-N 327.384 1.831 0 40 EDAB O=C(NCc1nncn1-c1ccccc1)N[C@@H]1c2ccccc2C[C@@H]1O 57004920 LKIAFSVKBRLVHL-FUHWJXTLSA-N 349.394 1.725 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 69286652 SYGLQWPBBZMHMU-PMPSAXMXSA-N 337.464 1.005 0 40 EDAB CC(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)N1CCCCCC1 69416560 YPOAQEHUWYQKRC-HNNXBMFYSA-N 332.400 1.865 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1F 72268959 XCXSTEKNYUPUPU-JKSUJKDBSA-N 336.407 1.434 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 63853737 KBWRGTSTBGCUFJ-NVXWUHKLSA-N 345.443 1.045 0 40 EDAB C[C@H]1CCCCN1c1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)ccn1 71871461 YMYFXKUKBYUUKK-JKSUJKDBSA-N 346.475 1.599 0 40 EDAB COc1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)n1 274705421 WBGLLQJZMABQLN-UHFFFAOYSA-N 325.376 1.163 0 40 EDAB CC[C@@H]1C[C@H]1NS(=O)(=O)c1cnc(N2CCOCC2)c(Cl)c1 1615045965 QUQFXIQYIGPAGU-ZWNOBZJWSA-N 345.852 1.648 0 40 EDAB O=C(NCCNC(=O)C1(c2ccc(F)cc2)CCC1)c1cnccn1 1616038620 JIMWNSRSJHPBSU-UHFFFAOYSA-N 342.374 1.584 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1ccccn1 12544219 RGZNTIJFOWILEY-UHFFFAOYSA-N 349.437 1.410 0 40 EDAB Cc1ccc2c(CC(=O)NC3CCN(CC(N)=O)CC3)coc2c1C 14241080 MAWVNLRTVVXCEO-UHFFFAOYSA-N 343.427 1.658 0 40 EDAB NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 18707784 DMQGBWDUCJOWBQ-UHFFFAOYSA-N 345.380 1.471 0 40 EDAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccnc3)n[nH]2)cc1 19557170 KJNCIVOXMSEZGK-UHFFFAOYSA-N 345.384 1.354 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)nc2c1CCCN2C 19707884 BGZVGXGHDBIMEI-CYBMUJFWSA-N 340.431 1.910 0 40 EDAB O=S(=O)(c1ccccc1C(F)(F)F)N1CC[C@H](n2ccnn2)C1 206936122 ZQAKEWDORACMCX-JTQLQIEISA-N 346.334 1.933 0 40 EDAB COc1ccc([C@H]2CN(C(C)=O)CCN2C2CCN(C)CC2)cc1 1848352486 SRINIOWDBJALDF-LJQANCHMSA-N 331.460 1.995 0 40 EDAB OC[C@@H]1CCCN1C1CCN(c2ncc(Br)cn2)CC1 1776000430 BJXITWXYKPKSOO-ZDUSSCGKSA-N 341.253 1.665 0 40 EDAB O=S(=O)(c1ccc(Br)s1)N1CCn2nccc2C1 238851548 JKCVURLVXHKJPE-UHFFFAOYSA-N 348.247 1.912 0 40 EDAB COc1ccccc1NC(=O)CSc1nc(=O)n2ccccc2n1 4499738 JIXRHKWMNWZCIZ-UHFFFAOYSA-N 342.380 1.829 0 40 EDAB COC(=O)c1ccccc1C(=O)N1CCC(Oc2cnccn2)CC1 90678020 OPWUQWDHICDEMC-UHFFFAOYSA-N 341.367 1.947 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 101261614 HWGDPWQYIQOKHA-MLHJIOFPSA-N 340.423 1.854 0 40 EDAB O=C(O)[C@H](Cc1ccco1)[P@](=O)(O)CN1CCCCCC1=O 20023978 SGNIYHCKWUQXKT-LBPRGKRZSA-N 329.289 1.906 0 40 EDAB Cc1cc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)ccc1N1CCCC1=O 40555673 VHCQRZHPGHRRQN-IUODEOHRSA-N 348.424 1.272 0 40 EDAB CC(C)CN1C[C@H](C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1=O 40553769 HBVWHKHEHLWCGQ-HUUCEWRRSA-N 345.447 1.066 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)[C@@H]1CCCN(c2ncccn2)C1 32005790 VQQHOGULAWRLOC-CVEARBPZSA-N 338.411 1.813 0 40 EDAB Cc1cccc2nc(CNC(=O)N3CC[C@@H](N4CC=CC4)C3)cn12 101387964 YEPFOSGDDSGFCO-MRXNPFEDSA-N 325.416 1.798 0 40 EDAB Cc1ccc(N2C(=O)c3sc4nnc(C)c(=O)n4c3C2=O)cc1 55891 ZZYNENCKNHQTFR-UHFFFAOYSA-N 326.337 1.568 0 40 EDAB COC[C@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 426907 XTCHGAWZFRJDQM-JTQLQIEISA-N 331.397 1.982 0 40 EDAB Cn1ccnc1CN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 69251861 PLIQOOPTZAOFTG-KRWDZBQOSA-N 339.443 1.343 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2CC(=O)NC2CCOCC2)n1 70006693 XLSCOCFTGZEDQE-KRWDZBQOSA-N 334.464 1.650 0 40 EDAB Cc1nnc2ccc(N3CCN(Cc4ccc(F)cc4)CC3)nn12 70016345 RCHHGRIWCKUHCP-UHFFFAOYSA-N 326.379 1.894 0 40 EDAB CCOc1ccc2nc(NC(=O)CNS(C)(=O)=O)sc2c1 70021500 MYIDTZXBBROCHX-UHFFFAOYSA-N 329.403 1.183 0 40 EDAB Cc1ccc(OCCCCNC(=O)Cc2nc3ncccn3n2)cc1 46104973 HSKCFWRURAYNCV-UHFFFAOYSA-N 339.399 1.951 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCCN3CCC[C@H](C)C3)CC2)no1 46379053 MNSHEYCCGKCODJ-HNNXBMFYSA-N 349.479 1.542 0 40 EDAB COc1cccc(C(=O)OCC(=O)NC(=O)c2cccn2C)c1OC 3526346 AKINYMYYKDHTMH-UHFFFAOYSA-N 346.339 1.156 0 40 EDAB Cc1nc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)sc1C 21468243 KDNMJNZALGEMHL-UHFFFAOYSA-N 330.369 1.402 0 40 EDAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 102345948 BOLJWIFFLMICBP-UGQVUOCMSA-N 338.367 1.788 0 40 EDAB CCN1C(=O)[C@]2(NC(N)=Nc3nc4ccccc4n32)c2ccccc21 7719524 QWUKBTCYVOMHLX-SFHVURJKSA-N 332.367 1.653 0 40 EDAB C[C@H](C(=O)NCc1cccs1)N1CCN(Cc2nccn2C)CC1 69350952 HSIWRWYBEVKISA-CQSZACIVSA-N 347.488 1.304 0 40 EDAB CCCn1c(O)nnc1S[C@H](C)C(=O)N1CCN(CC)CC1 21744879 KDQGWYBQEKJJOS-LLVKDONJSA-N 327.454 1.038 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(CC(=O)Nc3c(C)n[nH]c3C)CCO2)n1 69394133 DBQWDWZRJLRUIB-OAHLLOKOSA-N 346.435 1.179 0 40 EDAB COc1ccccc1[C@@H](O)CNC(=O)NCc1cccnc1OC 41440990 QRLJPEVVMJJHNQ-AWEZNQCLSA-N 331.372 1.632 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NCCN2CCOCC2)[C@H]1c1ccccc1 57355472 LEAFKWCHHZLMLW-FUHWJXTLSA-N 345.443 1.045 0 40 EDAB COc1ccc(F)cc1[C@H](C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 89904576 DENYUKYMYRTASV-CMPLNLGQSA-N 344.408 1.724 0 40 EDAB COC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCC2 22227814 YOWWICVLYDDZJS-UHFFFAOYSA-N 338.429 1.684 0 40 EDAB C[C@H](NC(=O)N[C@@H](C)c1nncn1C)c1ccc2c(c1)CC(=O)N2 46961941 NSAFOLZYASCHOW-UWVGGRQHSA-N 328.376 1.431 0 40 EDAB C[C@]1(NC(=O)CCc2nc3ccccc3s2)CCS(=O)(=O)C1 22548833 UIKUAOHRHXWORM-HNNXBMFYSA-N 338.454 1.922 0 40 EDAB CCOCCNC(=O)Cc1cccc(I)c1 89986999 BNIIUVZDRNAESZ-UHFFFAOYSA-N 333.169 1.986 0 40 EDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N(C)Cc1cccs1 22989404 JUKCOCAPXQOHIB-LLVKDONJSA-N 340.445 1.801 0 40 EDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1CCC(=O)N1CCOCC1 75605175 KNFKNVDNLPLABF-CYBMUJFWSA-N 340.855 1.768 0 40 EDAB CCN(CC(=O)N[C@@H](C)C(=O)NCC(F)(F)F)c1ccccc1 54115306 FENIZMPEBVCZAY-NSHDSACASA-N 331.338 1.696 0 40 EDAB c1cnc(N2CCOCC2)c(CNCc2cccc3c2OCCO3)c1 54174537 VLGBEUZWTKNOGK-UHFFFAOYSA-N 341.411 1.979 0 40 EDAB CCO[C@@H]1C[C@H](N(C)Cc2cc(=O)n(C)c(=O)n2C)C12CCCCC2 76040589 CBGVBZDKIGFOGG-JKSUJKDBSA-N 349.475 1.644 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C)c1 24089644 LAPYPVUTABZVOE-KBXCAEBGSA-N 332.400 1.764 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NOCc1ccccc1 106540661 STKSMOOLXKQMJP-WMHQRMGPSA-N 326.352 1.042 0 40 EDAB Cn1cc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)cn1 55588772 DOARDGZHJSXXCV-UHFFFAOYSA-N 335.385 1.798 0 40 EDAB Cn1nnnc1SCc1cn2cc(Br)ccc2n1 12583387 IDDCNEKNLBKKHC-UHFFFAOYSA-N 325.195 1.913 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCc1cccc(N2CCOC2=O)c1 56964410 VUOZNBQDDGQOHS-IUODEOHRSA-N 345.399 1.422 0 40 EDAB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccccc1 100403776 VDLSNXQRYWSHGB-OAFZBRQQSA-N 348.395 1.853 0 40 EDAB C[C@@H](C(=O)OCC(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O 3263310 QDEZMCUDSJGPDC-LBPRGKRZSA-N 344.367 1.227 0 40 EDAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)N2CCCCC2)c1=O 57486089 HZXBYHNQLYDMJD-UHFFFAOYSA-N 349.456 1.893 0 40 EDAB CC(C)C[C@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)C 24975658 PAXLGJVGUAKOBI-CYBMUJFWSA-N 342.465 1.432 0 40 EDAB O=C(Nc1nc(-c2ccccc2)ns1)N[C@H]1CCc2ncnn2C1 112712304 MQEZGYJWJKQIRT-NSHDSACASA-N 341.400 1.933 0 40 EDAB CSCC(=O)NC[C@@H](Cc1ccccc1)NC(=O)CSC 58268511 MGIFBNPOSAHPQG-CYBMUJFWSA-N 326.487 1.556 0 40 EDAB C[C@@H]1CCc2c(C(=O)N3CCC4(CC3)NC(=O)NC4=O)csc2C1 58265603 LVPRIECXIVRPPS-SNVBAGLBSA-N 347.440 1.687 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NCc1ccnc(N2CCOCC2)c1 44954241 YWFFGDWUJDVMRP-AWEZNQCLSA-N 344.419 1.003 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3cnccn3)CC2)c1C 44914087 HECBLEIZHIYBCP-UHFFFAOYSA-N 341.415 1.629 0 40 EDAB O=C(CN1CCC(c2ccnn2CCO)CC1)NC1CCCCCC1 58305266 NSFASOTVAYUIKK-UHFFFAOYSA-N 348.491 1.894 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCN(C2CCCC2)CC1 45083461 BUGGLYWNTRYIHW-UHFFFAOYSA-N 340.427 1.483 0 40 EDAB CCOc1ccc(NC(=O)CNC(=O)N[C@H](C)Cn2ccnc2)cc1 58405038 KOYPGOKZPVFEIU-CYBMUJFWSA-N 345.403 1.608 0 40 EDAB COC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)CCCC(C)C)C1=O 58419898 SXMCIYZYPPYLST-LRDDRELGSA-N 327.425 1.274 0 40 EDAB C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCCC[C@@H]1C 58403895 OZCXPIOVTVCLRO-RYUDHWBXSA-N 328.409 1.894 0 40 EDAB COCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CCC4 2236711 DLEUXOSDIISOLZ-UHFFFAOYSA-N 331.401 1.512 0 40 EDAB COc1ccc(OC)c(CN2CCN(C(=O)Cn3cccn3)CC2)c1 48273064 ZMAGHNSYWFKHHN-UHFFFAOYSA-N 344.415 1.245 0 40 EDAB COCCn1cc(NC(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)cn1 45453209 JVSXBEJGOKONHH-AWEZNQCLSA-N 331.376 1.417 0 40 EDAB COc1cc(OC)cc(C(=O)NCCc2nnc3n2CCCCC3)c1 48303410 SPSXXUYJJKEWLA-UHFFFAOYSA-N 344.415 1.994 0 40 EDAB COc1ccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)c(O)c1 48303618 XGHPLWZKAJRQSH-UHFFFAOYSA-N 331.372 1.655 0 40 EDAB Cc1csc([C@](O)(CC(=O)N2CCO[C@H](C)C2)C(F)(F)F)n1 62640094 BISWOYFMGYSWMM-BXKDBHETSA-N 338.351 1.839 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)NCc3ccc(C)s3)CCO2)c1 69452902 NUQYEGYYAILTAI-HNNXBMFYSA-N 348.472 1.579 0 40 EDAB CCS(=O)(=O)N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 69489819 JIZNOGZNHQLDEL-UHFFFAOYSA-N 334.445 1.340 0 40 EDAB C[C@@H](CN1CCOCC1)N1CCN(Cc2nccn2C(F)F)CC1 91623585 NVNZBCNVVASWBU-AWEZNQCLSA-N 343.422 1.117 0 40 EDAB CCN1C[C@H](C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)CC1=O 69560426 HANTWJOUCMUAEK-HUUCEWRRSA-N 345.443 1.506 0 40 EDAB Cn1cc(CNC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)cn1 64490363 DILIEZVJXDRADJ-UHFFFAOYSA-N 342.808 1.375 0 40 EDAB CN(CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)S(C)(=O)=O 64488431 MWWGCQSIFMPJBL-UONOGXRCSA-N 344.864 1.841 0 40 EDAB COc1cccc(CN(CCS(C)(=O)=O)C2CCC(O)CC2)c1 69587467 LNIOJPZWNQNZQL-UHFFFAOYSA-N 341.473 1.845 0 40 EDAB Cc1nnc2n1CCN(CCC(=O)N1CCc3sccc3C1)C2 69653148 GVHQEPFSQUDWLW-UHFFFAOYSA-N 331.445 1.439 0 40 EDAB CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccccc1CO 69663894 YMXYSYHDPPWASQ-UHFFFAOYSA-N 346.358 1.972 0 40 EDAB COC(=O)CCC(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 69627213 ILFIRJCSXWEAHB-GFCCVEGCSA-N 340.807 1.997 0 40 EDAB C[C@@H](NC(=O)NCc1ccnc(N2CCCCC2)c1)c1nncn1C 65390749 UNQBRDQNDQHWLZ-CYBMUJFWSA-N 343.435 1.761 0 40 EDAB O=C(O)[C@@H]1CCCN1C(=O)OCC1=Cc2ccccc2S1(=O)=O 5240321 ZUHOUZVUBAMVLT-LBPRGKRZSA-N 337.353 1.500 0 40 EDAB CC1(C)C[C@H](NC(=O)CCCn2nnc3ccccc3c2=O)CCO1 71287173 CIDSIBGCGXRVIJ-CYBMUJFWSA-N 344.415 1.646 0 40 EDAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(C[C@@H](C)O)CC1 69810308 FPHVVDQMYKMXSZ-CABCVRRESA-N 337.439 1.171 0 40 EDAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCC[C@@H]1Cn1cccn1 69813408 HYSUTCMHVLXDMJ-JKSUJKDBSA-N 340.431 1.581 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)N[C@@H]1CCCc2c1cnn2CCO 65440452 BMQQBUKPEUUOPI-OAHLLOKOSA-N 347.419 1.699 0 40 EDAB CCN1CCCN(C(=O)CCNC(=O)OCC(F)(F)F)CC1 69816879 VEDIZXMUWFVLTO-UHFFFAOYSA-N 325.331 1.219 0 40 EDAB Nc1nc(N)nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 9112003 OTLSRQPISADJJW-NSHDSACASA-N 328.376 1.144 0 40 EDAB COc1cc(NS(=O)(=O)c2cn[nH]c2C)cc(OC)c1OC 65588202 DASMHFCDAFCYRG-UHFFFAOYSA-N 327.362 1.545 0 40 EDAB COc1ccccc1C1(CNC(=O)c2nc3nccc(C)n3n2)CC1 65610205 VNLZJDCUNWAARD-UHFFFAOYSA-N 337.383 1.903 0 40 EDAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCCC2)C1=O 6607614 AVBVXZIERPODFO-IBGZPJMESA-N 341.411 1.565 0 40 EDAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCCCn1ccnc1 6653554 SAJMFDMBMCXFFY-UHFFFAOYSA-N 334.807 1.863 0 40 EDAB C[C@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)C(N)=O 8710515 OPHDZZJYWNUQRW-NSHDSACASA-N 333.417 1.070 0 40 EDAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2CCCC2)C1=O 5791766 VLMVYMYVEWSOAL-INIZCTEOSA-N 337.326 1.354 0 40 EDAB O=C(C1CCN(c2ncnc3sccc23)CC1)N1CCOCC1 15130336 COQSIVUPOGFNKV-UHFFFAOYSA-N 332.429 1.767 0 40 EDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccccc1F 8776527 LLFBHYLYGGTOCE-UHFFFAOYSA-N 328.351 1.321 0 40 EDAB Cc1ccc(C(=O)NCC(=O)NN2C(=O)c3ccccc3C2=O)s1 7038984 CCMQKGKMJHTFBX-UHFFFAOYSA-N 343.364 1.114 0 40 EDAB C[C@@H]1CCc2ccccc2N1C(=O)CN1C(=O)[C@H]2CCCN2C1=O 8877696 DTAFZUZOQPXUGE-IUODEOHRSA-N 327.384 1.781 0 40 EDAB NC(=O)COc1ccc(C(=O)OCc2nnc(-c3ccco3)o2)cc1 7581126 IJSWGDBLMJSHHA-UHFFFAOYSA-N 343.295 1.551 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(Cc3cc(C)on3)C2=O)cc1OC 8987843 VELSYZPLQIDUBU-QGZVFWFLSA-N 345.355 1.967 0 40 EDAB O=C(Cn1ncn2nccc2c1=O)N1CCCC2(CCCCCC2)C1 81304660 LOGHYAWDAMPETQ-UHFFFAOYSA-N 343.431 1.854 0 40 EDAB CN(C)C(=O)OCCN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 96010349 GRBJIVDJJSRRAC-QGZVFWFLSA-N 331.372 1.164 0 40 EDAB CN(C)C(=O)CC1CCN(C(=O)N[C@@H]2CCC[C@H](N(C)C)C2)CC1 97080549 CJCOIJOGORBDPE-CVEARBPZSA-N 338.496 1.759 0 40 EDAB CC(C)c1nc([C@@H]2CCCN(C(=O)[C@H](C)S(C)(=O)=O)C2)no1 72232122 QMNNIOUESFASOS-WDEREUQCSA-N 329.422 1.332 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2nc3nccc(C)n3n2)c1 71869749 GGBGUMAOTAPNMD-ZDUSSCGKSA-N 325.376 1.242 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C=C(C2CC2)C2CC2)CC1 71883325 BKIUEUIGYVKRNI-KRWDZBQOSA-N 331.460 1.674 0 40 EDAB CN(C)[C@@H](C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 71826934 QXIUQHHIYVSANR-QGZVFWFLSA-N 325.416 1.428 0 40 EDAB Cc1nc(NC(=O)CN(C)CC2CCN(CCO)CC2)sc1C 71871557 BJWXJZRTIBZIEH-UHFFFAOYSA-N 340.493 1.335 0 40 EDAB Cc1ccc(-c2noc(CCC(=O)N3CCNC(=O)CC3)n2)cc1F 71839463 JNCGCXBLIOACEV-UHFFFAOYSA-N 346.362 1.465 0 40 EDAB CCCO[C@@H]1CCCN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)C1 71837399 WZGXTBLSQJDUDA-CYBMUJFWSA-N 345.399 1.107 0 40 EDAB O[C@H](COc1ccc2c(c1)OCO2)CN1CCC[C@@H]1Cn1cccn1 71875736 VPIQXNOZROLQGN-CABCVRRESA-N 345.399 1.516 0 40 EDAB CC(C)OC(=O)CSCC(=O)NCc1ccc2c(c1)OCO2 71922041 VWVVPWLOYFWUGB-UHFFFAOYSA-N 325.386 1.716 0 40 EDAB CCC(O)(CC)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)n1 97164799 VGDZVSNULHTBCW-UHFFFAOYSA-N 333.310 1.706 0 40 EDAB CN(CCN1CCCC1=O)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 78771350 WEDGSPPKENCWSL-OAHLLOKOSA-N 347.463 1.466 0 40 EDAB Cc1cc(F)ccc1CCNC(=O)NCC1(CS(C)(=O)=O)CC1 87132521 ISYJMOWVRWDSOB-UHFFFAOYSA-N 342.436 1.801 0 40 EDAB CC(C)C(=O)N1CC[C@H](NCc2ccc(OCC(N)=O)cc2)[C@@H](C)C1 78897769 KYGBCSIBCFMRPM-YOEHRIQHSA-N 347.459 1.533 0 40 EDAB Cc1nnc(CN2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)s1 95459526 HXZBQXHNGXIWJK-ZDUSSCGKSA-N 337.493 1.365 0 40 EDAB CC(=O)NCCNC(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 95418912 RGJAISGQCCMWQS-OAHLLOKOSA-N 338.496 1.809 0 40 EDAB Cc1cc(C)n(CC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n1 95455675 GSFZPJUKILXZHU-UHFFFAOYSA-N 337.449 1.334 0 40 EDAB C[C@@H]1CCN(S(=O)(=O)[C@@H]2CCOC2)CCN1Cc1ccccc1 95403762 LALCHDJRLHITJG-NVXWUHKLSA-N 338.473 1.702 0 40 EDAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1 95455721 SSAJAIFGHKPNLL-BXUZGUMPSA-N 326.418 1.075 0 40 EDAB Cc1ccc(N2CCC[C@@H](N3CCCN(C(N)=O)CC3)C2=O)cc1 98015846 YXBWNWULZFOUAY-MRXNPFEDSA-N 330.432 1.577 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N1C[C@H](C)Oc2cc(F)ccc21 74004852 SVIWLRVWLUMPOH-NSHDSACASA-N 344.408 1.611 0 40 EDAB C[C@H](CC(=O)N1CCCN(C)CC1)S(=O)(=O)c1ccc(F)cc1 95948554 KPSSMQVVZYAMTE-CYBMUJFWSA-N 342.436 1.542 0 40 EDAB O=S(=O)(Cc1ccon1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 95986216 OLCHSTSRWJTBIK-HNNXBMFYSA-N 340.376 1.842 0 40 EDAB NC(=O)[C@H]1CC[C@H](CNc2nccc(OCc3ccccc3)n2)O1 89601369 JKKZVGRHURUEFA-ZIAGYGMSSA-N 328.372 1.500 0 40 EDAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)Cc1ccccn1 32935605 HLOKFSVVMCYHAX-UHFFFAOYSA-N 347.440 1.202 0 40 EDAB Cc1c(C(=O)N2CCC[C@H](C(N)=O)C2)cnn1-c1ccccc1F 41907494 WMVAEWOKOOAZHM-LBPRGKRZSA-N 330.363 1.657 0 40 EDAB CC(C)CN1Cc2c(C(=O)O)ncn2-c2ccccc2S1(=O)=O 306143732 YKYULCXYYSWTDS-UHFFFAOYSA-N 335.385 1.731 0 40 EDAB NC(=O)C[C@@H]1CCCCN1C(=O)CCn1cnc2ccccc2c1=O 60292083 UYGGDNJSHVQUCF-ZDUSSCGKSA-N 342.399 1.043 0 40 EDAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1ccn3nnnc3c1)CC2 524733011 LEKICYJVRNTTKA-ZDUSSCGKSA-N 339.355 1.559 0 40 EDAB C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCC(c2ccn[nH]2)CC1 181139563 HXPFSSHLFLIFOD-NSHDSACASA-N 328.438 1.122 0 40 EDAB CN(C)Cc1ccnc(NC(=O)c2ccc3c(c2)nc(O)n3C)c1 531374732 QUIKTHQHCCIRII-UHFFFAOYSA-N 325.372 1.988 0 40 EDAB Cc1nc(CCC(=O)O)cc(C2CCN(c3ncccn3)CC2)n1 72363422 MLFPQGCDNMDZDE-UHFFFAOYSA-N 327.388 1.976 0 40 EDAB CCc1ccc(/C=C2/SC(=S)N([C@H](CO)C(=O)O)C2=O)cc1 35648392 IJKDBYOZWNOADC-LAPSENCUSA-N 337.422 1.896 0 40 EDAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CO)cc1 218446083 FQJMCVYKXYCBSB-RCCFBDPRSA-N 331.437 1.933 0 40 EDAB CCc1sc(C(=O)OCCN(C)S(=O)(=O)N(C)C)cc1C 78715110 PORWZMBOXHJYAG-UHFFFAOYSA-N 334.463 1.514 0 40 EDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)c3cccc4c3OCO4)C2)nn1 565029733 FHPDAPVNXWECIN-SNVBAGLBSA-N 344.327 1.182 0 40 EDAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCC(C)CC3)nc12 72347032 PONHIDQIJJUWGG-UHFFFAOYSA-N 341.415 1.729 0 40 EDAB COCCNC(=O)CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 76955745 RHIBZGFKYOHBKB-NXEZZACHSA-N 328.771 1.461 0 40 EDAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCN(C)C)ccc21 225709954 AVEHWPKYFZOBNU-UHFFFAOYSA-N 343.474 1.484 0 40 EDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n1 225400189 KWCDDXCRYMGCKE-HNNXBMFYSA-N 344.390 1.904 0 40 EDAB CCc1nn2c(nnc3c(=O)n(NC(N)=O)ccc32)c1-c1ccccc1 40390811 NEZWLWADXGWGMV-UHFFFAOYSA-N 349.354 1.291 0 40 EDAB O=C(Cn1cnc2c(c1=O)CCCC2)NCCCc1ccccc1 49404618 NTBZANLBGGBJQU-UHFFFAOYSA-N 325.412 1.871 0 40 EDAB CC1CCN(C(=O)CN2CCN(C[C@H](O)c3ccco3)CC2)CC1 85436879 HMZIVJOWNBNQIY-INIZCTEOSA-N 335.448 1.189 0 40 EDAB O=C(Cc1ccccc1F)NCc1nc(-c2cc[nH]c(=O)c2)no1 225802057 BEKPEDGOSXXLPS-UHFFFAOYSA-N 328.303 1.423 0 40 EDAB Cc1ccc(F)cc1CN1CCN(CCN2C(=O)CCC2=O)CC1 195553410 NOENWWMUVQXVBM-UHFFFAOYSA-N 333.407 1.401 0 40 EDAB Cc1occc1C(=O)N1CCOC[C@]2(C[C@H](Cn3cnnc3)CO2)C1 96240619 JMOKKOGKTUMLDJ-PBHICJAKSA-N 346.387 1.127 0 40 EDAB Cc1nc(C)n(C[C@H]2CC[C@]3(COCCN(Cc4ccco4)C3)O2)n1 96160672 IUDPEGIDSJSLEE-MSOLQXFVSA-N 346.431 1.938 0 40 EDAB O=C(Cc1ccccc1)N1CCn2nnc(COCC3CC3)c2C1 96084270 AMLKTPXPDFHOCC-UHFFFAOYSA-N 326.400 1.790 0 40 EDAB O=C(c1ccco1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 96049154 CWODEXYXIKTOKG-QGZVFWFLSA-N 328.372 1.581 0 40 EDAB O=C(Nc1ccccc1)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96105256 HDCHXJRSKYGHBL-AWEZNQCLSA-N 349.398 1.912 0 40 EDAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(O)c3)ccc21 96953276 IQSKAJXXXFQLTK-UHFFFAOYSA-N 332.381 1.967 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1C[C@H](OCC2CC2)[C@H]2COC[C@H]21 96185039 MWLRAVUXLHMDHR-VBQJREDUSA-N 331.368 1.681 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 96061197 GXHWFCOVKGXOAB-INIZCTEOSA-N 343.427 1.762 0 40 EDAB O=C([C@@H]1CCCO1)N1CCOC[C@@]2(CCN(Cc3cccnc3)C2)C1 96202111 PSNZATOQYRJKKT-PKOBYXMFSA-N 345.443 1.312 0 40 EDAB Cc1cc(CN2CC[C@H]3O[C@@H](C(=O)N4CCCCO4)CC[C@H]32)no1 96187299 INVJLBYYAQKNPP-BZUAXINKSA-N 335.404 1.659 0 40 EDAB CN(C)CCO[C@@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)CCN2C1 96183160 QQCVBUODOMJFBT-DLBZAZTESA-N 347.459 1.252 0 40 EDAB O=C(c1ccnc(-n2cncn2)c1)N1CCOc2cc(F)ccc21 96411099 ZJKFEBJNRUOJRB-UHFFFAOYSA-N 325.303 1.841 0 40 EDAB O=S(=O)(c1cccs1)N1CCN2C[C@H](OCC3CC3)C[C@H]2C1 96099921 BZDOJKWBXMAMDT-UONOGXRCSA-N 342.486 1.622 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(CC2CC2)C1 96244589 WHSUIGZONDXMSP-IBGZPJMESA-N 344.459 1.505 0 40 EDAB COCCN1CCOC[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 96228781 FJHQJJFXCSKMDO-FQEVSTJZSA-N 346.471 1.817 0 40 EDAB O=C(c1cnccn1)N1Cc2nccn2C[C@H](CN2CCCC2)C1 96188370 WMIUAJPFZCVCPP-AWEZNQCLSA-N 326.404 1.041 0 40 EDAB CN(C)CC(=O)N1CCOC[C@H]1c1nccc(Nc2ccccc2)n1 96220315 WMFYWPKAMQMRMB-HNNXBMFYSA-N 341.415 1.682 0 40 EDAB Cn1ncc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(Br)c1=O 95400760 GTUXURLTXVQVLX-ONOSFVFSSA-N 328.210 1.768 0 40 EDAB C[C@](O)(CNC(=O)NCc1cccc(-n2cncn2)c1)c1ccco1 96440429 VUTHIBZNZQYBPR-KRWDZBQOSA-N 341.371 1.567 0 40 EDAB CCS(=O)(=O)c1ccc(CN2CC[C@@H](c3n[nH]c(C)n3)C2)cc1 580406342 MAFRQGGNCUZVAG-CQSZACIVSA-N 334.445 1.896 0 40 EDAB CCN1CCO[C@@H]2CN(C(=O)c3ccc4c(c3)OCCCO4)C[C@@H]2C1 96107971 UNPCHZYPRQNAIP-MAUKXSAKSA-N 346.427 1.641 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)c1cccc2nccn12)C1CCOCC1 583620525 JXVNDORBHRZTLG-INIZCTEOSA-N 339.399 1.966 0 40 EDAB CN1CCN([C@H]2COC3(CCN(C(=O)c4ccco4)CC3)C2)CC1 96048852 PRGSDSZIFWUIRC-OAHLLOKOSA-N 333.432 1.291 0 40 EDAB O=C(C1CCOCC1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 247839327 DZLQXHPVEXOWPP-HNNXBMFYSA-N 334.441 1.974 0 40 EDAB Cn1cncc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 248038523 NMRSWRZHMXFVHL-FUHWJXTLSA-N 332.448 1.966 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)CCn2ccnc2)n1 257325653 WTUUPJNUZNEEHC-OAHLLOKOSA-N 342.403 1.063 0 40 EDAB CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n[nH]1 257297395 RHCBNUPKMUBVIL-CYBMUJFWSA-N 344.390 1.809 0 40 EDAB COc1ccc(C)cc1CC(=O)N(C)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257317761 VLADPLLXYGXLAV-GPMSIDNRSA-N 343.427 1.966 0 40 EDAB CO[C@H](C)CS(=O)(=O)Nc1cccc2c1CCCN2C(N)=O 252490201 KLTQJEHKRUUWDF-SNVBAGLBSA-N 327.406 1.295 0 40 EDAB COCCCN(C)CCNC(=O)Cc1c(C)cc(N(C)C)cc1C 585135534 PEHKBGAVNMFJRR-UHFFFAOYSA-N 335.492 1.996 0 40 EDAB CCn1cnnc1CNS(=O)(=O)CC[C@H]1CCc2ccccc21 585115459 BGXGLYSHKSAGQF-CQSZACIVSA-N 334.445 1.838 0 40 EDAB CC(C)Cc1cc(C(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)on1 257229431 FYCRGMIWAWSJBT-KRWDZBQOSA-N 345.403 1.034 0 40 EDAB CC1(C)CCN(C(=O)[C@]2(C3CCCC3)CCNC2=O)CC[S@@]1=O 599992872 JVFLLWMCTYGBDB-SBUREZEXSA-N 340.489 1.443 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](CCC(=O)O)C(=O)O)cc1F 1616035769 GICFOESOMIWMSU-GXSJLCMTSA-N 347.364 1.367 0 40 EDAB CC1CC(NS(=O)(=O)c2cc(F)ccc2NCC(=O)N(C)C)C1 1615046278 PJGANMMBGMJUHD-UHFFFAOYSA-N 343.424 1.403 0 40 EDAB CCCCC(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CC(F)(F)C2)C1 575406240 YJNLECYTSZEKPQ-CYBMUJFWSA-N 340.374 1.871 0 40 EDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2cccc(OC)c2)C1 585279348 YGGIFLLEDZUENK-SFHVURJKSA-N 334.416 1.843 0 40 EDAB COCCN1C[C@@]2(COCCN([C@H](C)c3ccccc3)C2)CC1=O 585104428 MZFKRZPBZATHBV-VQIMIIECSA-N 332.444 1.945 0 40 EDAB Cc1ccccc1NC(=O)NCC1CCN(S(C)(=O)=O)CC1 43980450 BSGFUCAWGMREJD-UHFFFAOYSA-N 325.434 1.788 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cnc(C(C)C)nc2C)C1 1550363901 QZUFRZUIDSLCNH-OCCSQVGLSA-N 344.419 1.937 0 40 EDAB O=[S@](Cc1ccn(-c2ccccc2)n1)Cc1nnnn1C1CC1 69893949 VOFUOVMHSYZIBK-QHCPKHFHSA-N 328.401 1.643 0 40 EDAB Cc1n[nH]c(C(=O)N2CCN(CC(C)(C)O)CC2)c1Br 69951095 WNYSCSFQWKMNJN-UHFFFAOYSA-N 345.241 1.009 0 40 EDAB COc1ccc([C@H](O)CN2CCN(c3nccc(OC)n3)CC2)cc1 72273112 TUHGLDXAMSXPTI-MRXNPFEDSA-N 344.415 1.349 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C/c1ccncc1)CC2 72295899 YWBGVNQYFYLFCW-GORDUTHDSA-N 343.408 1.592 0 40 EDAB COc1ccc(-c2nc(C(=O)NCc3ncnn3C)cs2)cc1 72303792 IMJNUFZWTWSZBL-UHFFFAOYSA-N 329.385 1.877 0 40 EDAB COCCNc1nc(CC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cs1 1616040323 GKXXCEYLJQATMW-BXUZGUMPSA-N 338.477 1.343 0 40 EDAB COc1ccc(NC(=O)C[C@H]2N[C@@H]3CCCC[C@@H]3NC2=O)c(OC)c1 13942778 LVRIRUSOPYDFAW-VNHYZAJKSA-N 347.415 1.432 0 40 EDAB COCCCNC(=O)CCn1cnc2c([nH]c3ccc(F)cc32)c1=O 14001217 IRRDDALAOVLSNV-UHFFFAOYSA-N 346.362 1.560 0 40 EDAB COc1cccc(CCNC(=O)C[C@H]2CSc3nccc(=O)n32)c1 14031325 WXDAGJKUJNIANA-ZDUSSCGKSA-N 345.424 1.648 0 40 EDAB CCn1ccc(C(=O)N2CCO[C@@H](C(=O)N3CCCCCC3)C2)n1 19747173 NSUBVFRCZJWNBR-OAHLLOKOSA-N 334.420 1.147 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)cc1 206959341 MOHBJZUPHFKNPE-UHFFFAOYSA-N 342.351 1.810 0 40 EDAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 4350080 VDHZFWXAMYLETL-UHFFFAOYSA-N 327.340 1.761 0 40 EDAB O=C(C1CC(F)(F)C1)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888865581 ANUPBMOLQMIFAD-VXGBXAGGSA-N 348.357 1.064 0 40 EDAB COC[C@@H](C)NC(=O)COc1ccc(C(=O)O)cc1Br 13231612 GLCGUGBOQSGCGQ-MRVPVSSYSA-N 346.177 1.677 0 40 EDAB CCn1nccc1C(=O)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223564 SKZZTHVJYKPSOU-IRXDYDNUSA-N 332.448 1.618 0 40 EDAB COc1cnc(O[C@@H]2CCN(CC(=O)Nc3ccc(F)cc3)C2)nc1 2087067216 MQHFGNLBYYAZPP-CQSZACIVSA-N 346.362 1.716 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)[C@@H]1CCOC1)C2 1565555012 NTUQMHRHPRTRGE-CXAGYDPISA-N 349.456 1.034 0 40 EDAB COc1cc(C(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)on1 1565552496 XJFIBRHNOKPHBI-UHFFFAOYSA-N 345.403 1.559 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)NCC1(OCCO)CCCC1 1565520428 TVCZZUBYPVOGLW-UHFFFAOYSA-N 334.372 1.032 0 40 EDAB CCOC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2cccnc21 6805097 YYERGGIQDMFFDB-UHFFFAOYSA-N 339.351 1.170 0 40 EDAB Cc1ccc(-n2nnnc2CNC(=O)c2ccc3c(c2)OCO3)cc1 9570575 IISCQQWPCZHEBP-UHFFFAOYSA-N 337.339 1.629 0 40 EDAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)c1ccccc1F 11743581 WCBGSUKNHUZCHQ-UHFFFAOYSA-N 338.342 1.874 0 40 EDAB O[C@@H]1CCN(Cc2noc3c2C[C@@H](NCc2nccs2)CC3)C1 2055730262 SAZMJRFWODNVHX-NWDGAFQWSA-N 334.445 1.345 0 40 EDAB COc1ccccc1C1(CNC(=O)N2CCNC2=O)CCOCC1 211092668 KIVRYKCUCJQALI-UHFFFAOYSA-N 333.388 1.478 0 40 EDAB O=S(=O)(NC[C@@H](OCCO)c1cccs1)c1ccccc1F 575620300 JIQLVRGZAYQQDV-GFCCVEGCSA-N 345.417 1.916 0 40 EDAB NC(=O)[C@H]1CC(C(=O)NCc2ccc(O)cc2)=NN1c1ccccc1 40497909 TXWCCKXHRUZKDF-MRXNPFEDSA-N 338.367 1.129 0 40 EDAB C/C(NC[C@@H]1CCCO1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 101040083 VEDPHCVXJAYFNP-UQRISPGASA-N 335.404 1.440 0 40 EDAB COCCNC(=O)COc1c(Br)cc(C=O)cc1OC 20285109 BGLJLMNIKPYWSI-UHFFFAOYSA-N 346.177 1.412 0 40 EDAB COC[C@H](C)NC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 40493853 MLPQFHHCKHFDFD-LEWSCRJBSA-N 340.420 1.120 0 40 EDAB CC[C@@H](C)OC(=O)[C@H](C)n1cnc2sc(C(N)=O)c(C)c2c1=O 150447 ASENHCMQVVMCCO-APPZFPTMSA-N 337.401 1.768 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 40523829 DYMHNMQUKDKUBX-OAHLLOKOSA-N 348.399 1.735 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCc2cnc(CC)nc2C1 100976432 WYPGZFALNHXMTL-LTGZKZEYSA-N 328.420 1.064 0 40 EDAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCCNc1cnccn1 46018600 CORMMKDJPSKDSX-CQSZACIVSA-N 339.399 1.596 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 32636521 WNLZJTKSRKQEFH-INIZCTEOSA-N 333.344 1.117 0 40 EDAB CCOC(=O)C(CC[C@@H](C)C(F)(F)F)(NC=O)C(=O)OCC 2046184 HQHPRVDCQZJHIN-SECBINFHSA-N 327.299 1.576 0 40 EDAB Cc1noc(C)c1[C@H](C)C(=O)NS(=O)(=O)C[C@H]1CCCCO1 102139277 HQYHXKCHXXANII-JOYOIKCWSA-N 330.406 1.410 0 40 EDAB Cn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2c1=O 3598086 HZWSOOKXMRNXLO-UHFFFAOYSA-N 337.335 1.592 0 40 EDAB C[C@H]1C[C@H](OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C(=O)O1 32736483 APFIMRKBMGQACN-NHYWBVRUSA-N 349.358 1.925 0 40 EDAB COC(=O)[C@@H](CN1CCCCC1)[C@](O)(c1nccn1C)C(F)(F)F 32765193 SCSDWNVBPVRPEB-RISCZKNCSA-N 349.353 1.445 0 40 EDAB Cc1sc(C(=O)Nc2nncs2)cc1S(=O)(=O)N(C)C 6679405 MDCOUKKRZVOCAA-UHFFFAOYSA-N 332.432 1.411 0 40 EDAB O=C1CN(C(=O)COc2nncc3ccccc23)c2ccccc2N1 2633753 PDKIJWFCYSTTIK-UHFFFAOYSA-N 334.335 1.994 0 40 EDAB CC(=O)c1ccc(S(C)(=O)=O)c(N2CC[C@H](N3CC=CC3)C2)c1 102088781 UWBQQUJDERUWAM-HNNXBMFYSA-N 334.441 1.743 0 40 EDAB COC(=O)C1CCN(C(=O)c2ccccc2NS(C)(=O)=O)CC1 10112583 BNPRVRNTPSRHRR-UHFFFAOYSA-N 340.401 1.083 0 40 EDAB CN1CCC[C@@H](NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 70019170 WHKHHWSPJMBPNT-CVEARBPZSA-N 331.416 1.628 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)Cc1nn(C)c(=O)c2ccccc12 52819817 VSWIRZOHBZULJO-CYBMUJFWSA-N 328.416 1.077 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)NC[C@H]2Cc3ccccc3O2)c1 33112578 UGZNVIUFKJNJHI-CQSZACIVSA-N 331.393 1.824 0 40 EDAB Nc1nc(SCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n[nH]1 53334403 GUZAAPXACURCTJ-NSHDSACASA-N 337.380 1.218 0 40 EDAB Cc1ccc2c(c1)N(CCC(=O)N1CCC[C@H]1C(=O)O)C(=O)CO2 33520805 XLNACHHPZKJWDL-LBPRGKRZSA-N 332.356 1.186 0 40 EDAB CCNC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 103493206 CPRDVRSUKXLPNC-VIRABCJISA-N 328.368 1.898 0 40 EDAB COC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 9737625 GLADMZWFLIBEHR-KRWDZBQOSA-N 345.355 1.132 0 40 EDAB COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N(C)C 9753424 NYIZNOQZKPMKFW-UHFFFAOYSA-N 328.434 1.721 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)C1 53894778 LNXGGHYEFWOUKD-NSHDSACASA-N 342.374 1.448 0 40 EDAB COc1ccc(CCC(=O)NS(=O)(=O)c2c(C)noc2C)cc1 42290455 ZIQGDHANUHLCEL-UHFFFAOYSA-N 338.385 1.738 0 40 EDAB CN(CC(N)=O)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 47109431 BJWHDUCOJHLFNR-UHFFFAOYSA-N 341.396 1.553 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)NC[C@H]2COc3ccccc3O2)c1 23683557 GLEHCMSLAFOSBS-ZDUSSCGKSA-N 347.392 1.660 0 40 EDAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(F)ccc1-n1cnnn1 12409590 SFYRNGUOTZVSJO-UHFFFAOYSA-N 341.302 1.825 0 40 EDAB Cc1csc(CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 42749362 RTGJPWBGEGTKPX-CYBMUJFWSA-N 336.461 1.996 0 40 EDAB CCc1ccc(N2C(=O)C[C@H](N(C[C@H]3CCCO3)C(C)=O)C2=O)cc1 102846730 BUKSCZWLIYBZFU-SJORKVTESA-N 344.411 1.908 0 40 EDAB Cc1cccnc1CN1C[C@H](C(=O)NCc2ccco2)[C@H]2OCC[C@H]21 108528775 OPIYMNAHEIRZEM-CGTJXYLNSA-N 341.411 1.889 0 40 EDAB Cc1cc(C)c(S(=O)(=O)n2c(C)c(CCO)c(=O)n2C)c(C)c1 1393685 UMBFVCLBHFNCKY-UHFFFAOYSA-N 338.429 1.192 0 40 EDAB C[C@@H]1CO[C@H](CO)CN1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F 108500052 VZFPHGWHUFCLRH-KWCYVHTRSA-N 346.349 1.951 0 40 EDAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)NC1CCCC1 57842704 HIIOCPDNQGHYPS-GFCCVEGCSA-N 339.461 1.386 0 40 EDAB CC[C@@H](C)NC(=O)CS(=O)(=O)Cc1cc(C(C)=O)ccc1OC 44715364 LUBSADPYZAITOE-LLVKDONJSA-N 341.429 1.727 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCc1ccccn1 44891755 RQUZJHSUJLVERB-GFCCVEGCSA-N 348.428 1.632 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1nc2ccccc2[nH]1 44893545 FMFNJUKIVRSIOJ-UHFFFAOYSA-N 335.323 1.205 0 40 EDAB Cc1n[nH]c(=O)c2c(NC(=O)CN3C[C@@H](C)OC[C@@H]3C)oc(C)c12 27646421 VOCBVTAGVGLEGX-DTWKUNHWSA-N 334.376 1.181 0 40 EDAB CCNC(=O)NC(=O)CN1CCC(CNC(=O)OC(C)(C)C)CC1 58281997 UETCQVOKYONAJG-UHFFFAOYSA-N 342.440 1.069 0 40 EDAB CCN(CCO)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 44968619 QLVWJZGCGVVJIE-OKILXGFUSA-N 336.436 1.219 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cn2cncn2)cc1 44955788 JCCGGVGHSLMFCN-OAHLLOKOSA-N 329.404 1.217 0 40 EDAB COCCN(CCOC)S(=O)(=O)N1CCC[C@H]1c1ccncc1 44908099 UCNILAQNIAUVNI-HNNXBMFYSA-N 343.449 1.058 0 40 EDAB Cc1nc2cc(NC(=O)CCc3n[nH]c(=S)[nH]c3=O)ccc2o1 10321311 KUSRNYQJOXRKMK-UHFFFAOYSA-N 331.357 1.848 0 40 EDAB 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CNC(=O)NC(=O)[C@@H](C)N1CCC(CCc2ccc(O)cc2)CC1 12847476 KSLZWCBSUFQCMN-CYBMUJFWSA-N 333.432 1.881 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F 306134833 NZGPTNZIGWCKJN-LBPRGKRZSA-N 344.408 1.430 0 40 EDAB CCOc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 69569627 MPTSDTIRBJMCIM-KRWDZBQOSA-N 345.443 1.640 0 40 EDAB CCn1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)cn1 69559658 BHWZXDWUJWXGOP-AWEZNQCLSA-N 342.399 1.899 0 40 EDAB CCN(C(=O)c1ccc(OC)c(OC)c1)[C@H](C)CS(=O)(=O)CC 69895838 PPAXCWXBBPNQJL-GFCCVEGCSA-N 343.445 1.989 0 40 EDAB O[C@@H](COCc1ccccc1F)CN1CCC[C@H](Cn2cncn2)C1 69653174 UXKKSVOUMANFNR-DOTOQJQBSA-N 348.422 1.707 0 40 EDAB CC1(C)Cc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c(O)c2O1 69621638 LVJZKNDVFLUUIE-SNVBAGLBSA-N 325.386 1.023 0 40 EDAB CNc1ccc(S(=O)(=O)NC)cc1NC(=O)/C=C/c1cccnc1 69812903 VKCRPPOAJRBMQT-VMPITWQZSA-N 346.412 1.683 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C 69845810 YCRAYWYPDPETEQ-CYBMUJFWSA-N 341.452 1.713 0 40 EDAB COc1ccc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c(C)nc2c1 17638384 CVQQDQKJBKCTDT-LBPRGKRZSA-N 334.397 1.469 0 40 EDAB CC(=O)c1ccccc1NC(=O)Cn1c(-c2cccnc2)noc1=O 69737095 JMHMVSFNJNHPIQ-UHFFFAOYSA-N 338.323 1.740 0 40 EDAB O=C(CN1CCCC[C@H]1CN1CCOCC1)N1CCc2ccccc21 69740855 FBUORXNDUJJXMB-SFHVURJKSA-N 343.471 1.762 0 40 EDAB Cn1cc(CN2CCN(C[C@H](O)c3ccc(F)c(F)c3)CC2)cn1 69769908 IWYPGVITFKJJDM-KRWDZBQOSA-N 336.386 1.550 0 40 EDAB CCOc1ccc(NC(=O)CNS(=O)(=O)N(C)C(C)C)cc1 69775307 NWZMTDUHQKTXDY-UHFFFAOYSA-N 329.422 1.198 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(C(C)C)nn1C 69813701 HOHAXIVZGZQVJQ-UHFFFAOYSA-N 342.407 1.564 0 40 EDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCn1cccn1 65444171 ULEHXJWPXFHPOG-KRWDZBQOSA-N 326.400 1.363 0 40 EDAB C[C@H](O)CN1CCN(C(=O)COCc2nc3ccccc3s2)CC1 69978902 JJKUYSBSTOLPTH-ZDUSSCGKSA-N 349.456 1.338 0 40 EDAB C[C@H](NS(=O)(=O)N(C)C)C(=O)Nc1cccc(N2CCCC2)c1 65590960 STVQFLGGGNVXOH-LBPRGKRZSA-N 340.449 1.010 0 40 EDAB Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCNC(=O)C1(C)C 65512994 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Cc1occc1CNC(=O)NCCS(=O)(=O)NCC1CCC1 69082274 KSRCUMMTJSPRBC-UHFFFAOYSA-N 329.422 1.107 0 40 EDAB O=C(c1ccncc1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005214 AOBAUWISZLLNJS-OAHLLOKOSA-N 337.445 1.548 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H](C)Cc1ccccc1Br 89904190 MUGUWIGKDXWIAR-VIFPVBQESA-N 349.250 1.046 0 40 EDAB COc1cc(C[C@H]2NS(=O)(=O)c3ccccc3[C@@H]2O)ccc1O 9576236 HZJAOOQVUXJFHN-WBMJQRKESA-N 335.381 1.337 0 40 EDAB CCN1CCC(N(C)C(=O)CNC(=O)c2ccc3c(c2)CCC3)CC1 97095747 SEJIWIOCHMWVRZ-UHFFFAOYSA-N 343.471 1.848 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 71821647 XGRRLLSRPIDOFQ-ZDUSSCGKSA-N 334.464 1.291 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)NCCOc2ccc(F)c(F)c2)c1C 71882783 GDJKYWLHUDRKNL-UHFFFAOYSA-N 337.326 1.484 0 40 EDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)N1Cc2ccccc2C1 71879681 JEWFKBXTUCUJKW-ROUUACIJSA-N 345.443 1.449 0 40 EDAB c1cnnc(N2CCC[C@H]2CNCc2cnc(N3CCCC3)nc2)c1 71877257 OIXQCBAMAITDQL-INIZCTEOSA-N 339.447 1.625 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)c3ncoc3[C@@H]3CCCO3)CCO2)n1 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328.416 1.821 0 40 EDAB O=c1[nH]c2ccccc2c(=O)n1CC[S@](=O)Cc1ccccc1 95434989 JLVKCLDBDZLMGS-HSZRJFAPSA-N 328.393 1.639 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1c2ccccc2C[C@@H]1O 95447903 ODUBORYAOPUWSO-ZFWWWQNUSA-N 341.411 1.764 0 40 EDAB CC(C)Cn1cc(C(F)F)c(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)n1 95447327 VPTFRUFPWCQOCE-WCQYABFASA-N 344.406 1.926 0 40 EDAB c1nc(-c2noc(CSc3nnc(C4CC4)n3C3CC3)n2)n[nH]1 78879614 XHXQNIRDHFNUHW-UHFFFAOYSA-N 330.377 1.951 0 40 EDAB O=C1CCCN1CCN1CCN(Cc2nc3ccccc3[nH]2)CC1 95983999 OECPOVKKROVDQC-UHFFFAOYSA-N 327.432 1.303 0 40 EDAB c1ccc(-n2nnnc2N2CC[C@@H](OCCN3CCCCC3)C2)cc1 95974190 BRKQLUHVMJXGBA-QGZVFWFLSA-N 342.447 1.744 0 40 EDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCc1cccnc1-n1ccnc1 95961099 ALCYZKTXPOWBSV-KFWWJZLASA-N 341.415 1.880 0 40 EDAB CC(=O)N1CCC(NC(=O)Cn2ccnc2-c2cccs2)CC1 95990759 QQSBSCLOZCPFCZ-UHFFFAOYSA-N 332.429 1.739 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)N1CCC[C@H]1CN1CCOCC1 74534810 XVKIOHAUTTZBMF-INIZCTEOSA-N 349.479 1.545 0 40 EDAB CN1CCN(C[C@@H](O)CN(C)C(=O)CC2CCCCCC2)CC1 89382647 IUZAOTANKFWLOX-KRWDZBQOSA-N 325.497 1.414 0 40 EDAB O=C(C[C@H]1C(=O)NN=C2c3ccccc3N=CN21)Nc1ccccc1 9913769 BAEJJQILZBWJTL-HNNXBMFYSA-N 333.351 1.851 0 40 EDAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc2c(c1)CCN2C(C)=O 26901654 AJTNANMWGJAEDT-ZUZCIYMTSA-N 332.404 1.617 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)NC[C@H]2Cc3ccccc3O2)C1 89761885 RSCZBUQUPPAPKP-LSDHHAIUSA-N 341.415 1.708 0 40 EDAB Cn1c(C2CC2)nc2cc(NC(=O)CN3CCC(=O)NC3=O)ccc21 89869343 NTORGDXFWQOPDK-UHFFFAOYSA-N 341.371 1.331 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccsc4)[C@H]3C2)no1 306133823 MXGJHZISDPHIGC-FVQBIDKESA-N 347.440 1.921 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCN(C(=O)c3ccco3)CC2)on1 36390341 ZCJPMOATZVXIPW-LBPRGKRZSA-N 332.360 1.361 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccco3)CC2)on1 37195921 ZCJPMOATZVXIPW-GFCCVEGCSA-N 332.360 1.361 0 40 EDAB O=C(C1CCC1)N1CCC[C@@H](n2nnn(-c3ccccc3)c2=O)C1 72341962 ZRAZGALMKUOHRN-OAHLLOKOSA-N 327.388 1.393 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccco2)CC1 72239641 CHZHILMNVZWAKR-CQSZACIVSA-N 349.387 1.071 0 40 EDAB C[C@H]1CN(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)C[C@@H](C)O1 180681097 PPEHVWCKRYBLMI-QLFBSQMISA-N 325.453 1.306 0 40 EDAB Cc1c(Br)cccc1C(=O)NCCCNS(C)(=O)=O 79461962 QHHHJSFPSXKUBQ-UHFFFAOYSA-N 349.250 1.427 0 40 EDAB O=C(/C=C/C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 79298458 DPCBMKAXAUNJLY-CMDGGOBGSA-N 334.441 1.627 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cn(-c3ccc(F)cc3)cn2)CC1 226752917 XGBJZFYIWGGNOQ-UHFFFAOYSA-N 346.362 1.926 0 40 EDAB C[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)c1ccc(Cl)cc1 225961439 UGOYPSBEXAGCEE-JTQLQIEISA-N 333.841 1.255 0 40 EDAB C[C@](O)(CNC(=O)C(=O)NCCc1ccccc1)c1cccs1 75155924 WSNMMXSCUIEJMH-KRWDZBQOSA-N 332.425 1.431 0 40 EDAB Cn1nc2c(cc1=O)C[C@H](NC(=O)c1ccc3ccccc3n1)CC2 225788528 KJHIPWJMMUCPRY-CQSZACIVSA-N 334.379 1.616 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@H](CC(N)=O)C2)cc1Cl 80795789 NOQLHDWLWNPWFF-SNVBAGLBSA-N 346.836 1.625 0 40 EDAB CCOC(=O)c1c(O)c2c([nH]c1=O)CN(Cc1ccccc1)CC2 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329.404 1.171 0 40 EDAB COCCN1CCN(C(=O)c2ccncc2F)Cc2cccnc21 96198863 MPLSGUCVEZQVHQ-UHFFFAOYSA-N 330.363 1.725 0 40 EDAB C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2F)[C@H]1C(=O)O 1594433374 ZLNAEOXHSFXYTD-UPONEAKYSA-N 349.311 1.147 0 40 EDAB Cn1cccc1C(=O)N[C@@H]1CN(Cc2ccoc2)[C@@H]2CCCO[C@H]12 96056331 BIFCDTYMLAHHFX-BFYDXBDKSA-N 329.400 1.780 0 40 EDAB CC(C)CSCC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 95350981 KWISRQURZCWWBL-UHFFFAOYSA-N 337.445 1.049 0 40 EDAB CC(C)CNC(=O)C1=NO[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 96225457 AEMCBXYGGQCZEZ-KRWDZBQOSA-N 330.388 1.215 0 40 EDAB COc1ccc(CNC(=O)NCC[S@](C)=O)c(C(F)(F)F)c1 96408848 ADDWRDQYZXPNDG-JOCHJYFZSA-N 338.351 1.892 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 97953751 SKAKQDDOKJIRQH-OKZBNKHCSA-N 346.427 1.783 0 40 EDAB Cc1ncoc1C(=O)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109034 VUCPLOIIERKYMT-KDOFPFPSSA-N 343.383 1.683 0 40 EDAB CCS(=O)(=O)N1C[C@H]2CN(Cc3ccc(OC)c(F)c3)C[C@@H]2C1 96080812 QQWVLGORHUWYKR-ZIAGYGMSSA-N 342.436 1.548 0 40 EDAB CS(=O)(=O)N1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 96045160 HGKZLPXPHVMBLH-AWEZNQCLSA-N 339.461 1.579 0 40 EDAB Cc1occc1C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1ccncc1 96055688 JYHJKVXEWBGFOF-JKSUJKDBSA-N 325.368 1.999 0 40 EDAB Cc1cccc(S(=O)(=O)N2CC3(CC[C@@H](CN(C)C)CO3)C2)c1 248117055 LUUNPEYKOLAMPY-HNNXBMFYSA-N 338.473 1.726 0 40 EDAB CCc1cc(C(=O)N2CCNC[C@@H]2c2cccc(C(=O)NC)c2)no1 257245771 IQZMHZIADUUTSO-MRXNPFEDSA-N 342.399 1.383 0 40 EDAB O=C(C1CCNCC1)N(c1ccccc1)[C@@H]1COC2(CCNCC2)C1 257281027 ONIXJHHSXBPCBT-SFHVURJKSA-N 343.471 1.930 0 40 EDAB Cc1cc(C[C@@H]2COCCN(C(=O)Cc3c(C)noc3C)C2)ncn1 257266864 MEWYKGHSGJUUAD-HNNXBMFYSA-N 344.415 1.650 0 40 EDAB O=C(O)c1ccc(OCCNC(=O)[C@@H]2COc3ccccc3O2)cc1 540785769 WBKYSKZKRUIFGV-INIZCTEOSA-N 343.335 1.720 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3CC[C@H](Oc4cccnc4)[C@H]3C2)nc(O)n1 257309318 UALQVNRFCRWVKA-INWMFGNUSA-N 340.383 1.815 0 40 EDAB CN1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C[C@H]1C(C)(C)C 585139376 QDVOGSIHWVHIPH-AWEZNQCLSA-N 339.461 1.136 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)O)C2)cc(C(=O)O)c1C 585122395 ZHXIDLGMIQPUPH-QWHCGFSZSA-N 341.429 1.783 0 40 EDAB Cc1n[nH]c(C)c1-c1cncc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257306510 SUNMKXVBLUFTSX-GFCCVEGCSA-N 335.433 1.623 0 40 EDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3cccnc3)C2)OC1 253494379 XHJLBCYMLMHVII-OAHLLOKOSA-N 339.461 1.002 0 40 EDAB COc1ccc(CNC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)cc1 253394030 CPDJOCLHPCIXRF-SHTZXODSSA-N 329.404 1.805 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](N3CCCN(C)CC3)CC2)cc1 257250948 JORMUDKCIURMOD-OALUTQOASA-N 345.487 1.598 0 40 EDAB NS(=O)(=O)c1ccccc1CNC(=O)C[C@@H]1CCCC1(F)F 1615037240 ICOWUHKFODPYIF-NSHDSACASA-N 332.372 1.776 0 40 EDAB Cn1cc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cn1 61381751 NHZWWDBMDHYAJJ-UHFFFAOYSA-N 328.781 1.697 0 40 EDAB Cc1csc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c1 390831499 SEAKENSYNXDEGT-NSHDSACASA-N 328.401 1.503 0 40 EDAB CN(C)c1nc(CNC(=O)c2ccncc2F)nc(N2CCCC2)n1 575606505 PENGRCGNPLFNMP-UHFFFAOYSA-N 345.382 1.002 0 40 EDAB O=C(O)c1ccc(=O)n([C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 585261340 SHGOTFGSYOSDMB-AWEZNQCLSA-N 326.308 1.896 0 40 EDAB C[C@@H]1CN(C(=O)NC[C@@H](C(=O)O)C2CCC2)C[C@](C)(C(F)F)O1 665317271 ZWEBINAOVBEWHG-XDMRBOTDSA-N 334.363 1.941 0 40 EDAB Cc1nccc(N2CCOC[C@](O)(COc3cccc(F)c3)C2)n1 585276869 SESAGEMOOMRXNC-KRWDZBQOSA-N 333.363 1.571 0 40 EDAB CC(=O)N1CCCC[C@@H]2CN(C(=O)/C=C/CN3CCOCC3)CC[C@H]21 585291170 MMZVIYBNSYTFDO-UUOJUMCQSA-N 349.475 1.124 0 40 EDAB C[C@@H]1CN(C(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)C[C@@H](C)O1 51991845 GTTQLZASBNOHFQ-VXGBXAGGSA-N 344.419 1.205 0 40 EDAB CN1C[C@H](C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)CC1=O 61506811 BCLGYKRDONIWNL-CQSZACIVSA-N 349.394 1.515 0 40 EDAB COc1ccc(C(=O)NCC(=O)N(C)Cc2ccccn2)cc1OC 58278986 DCOLRKKSANIPOO-UHFFFAOYSA-N 343.383 1.487 0 40 EDAB CNC(=O)c1ccc(=O)n(Cc2nn(-c3ccccc3)c3c2CCC3)c1 58228907 QWYVOWJWBKCNRI-UHFFFAOYSA-N 348.406 1.931 0 40 EDAB CC1=CC2=NC(=O)C[C@](C)(C(=O)NCCCc3ccccn3)N2C=C1 12148609 QAADZDZJZDWYSO-LJQANCHMSA-N 338.411 1.994 0 40 EDAB Cc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)c(C)c1 18029936 UOZBJCHOSRWUQQ-HNNXBMFYSA-N 329.400 1.133 0 40 EDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19500781 PEVPQDRTQGOZAM-HNSFDTNUSA-N 348.374 1.413 0 40 EDAB COc1ccc(OC[C@H](C)NC(=O)Cn2c(C)cc(C)nc2=O)cc1 19572353 QTBAMGRGCBDKLV-ZDUSSCGKSA-N 345.399 1.452 0 40 EDAB O=C(CSc1nnc2[nH]c3ccccc3n12)NC[C@@H]1CCCO1 6909661 KEAWPEMSQUPKEM-JTQLQIEISA-N 331.401 1.598 0 40 EDAB Cc1cc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)n2nccc2n1 1888854298 WNZZXXMSXSKXNS-CQSZACIVSA-N 329.404 1.255 0 40 EDAB CCS(=O)(=O)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888854651 NDLKZZUBPOJIKW-RISCZKNCSA-N 329.397 1.446 0 40 EDAB COc1cccc(C(=O)NCCn2nc(C(F)(F)F)ccc2=O)c1 1888857021 OPWMVKBDNGFVNG-UHFFFAOYSA-N 341.289 1.701 0 40 EDAB Cc1nnc(CN2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)o1 1888869739 BIUWEHYKRCTWNF-UHFFFAOYSA-N 340.431 1.856 0 40 EDAB COc1ccc([C@H](O)CNC(=O)c2ccc(CNC(N)=O)cc2)cc1 31582139 NXGCNPHEYWJLRE-MRXNPFEDSA-N 343.383 1.327 0 40 EDAB COC(=O)C1CCN(C(=O)c2cncc(Br)c2)CC1 35152162 MCUNHJRILCMPTK-UHFFFAOYSA-N 327.178 1.869 0 40 EDAB Cc1nnc2c(N3CCN(C(=O)OC4CCCC4)CC3)nccn12 238939044 VUVPHOKGDZIAMQ-UHFFFAOYSA-N 330.392 1.634 0 40 EDAB COc1ncccc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 40494442 TZFMTRUHFGFLEC-AWEZNQCLSA-N 347.440 1.955 0 40 EDAB O=C(C1CCOCC1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037908978 JWZGPCMEZUIPPH-SFHVURJKSA-N 337.391 1.985 0 40 EDAB COc1cc(N2CCN(Cc3nc4c(s3)CCC4)CC2=O)ccn1 2086950826 OANDFYVUZAAGAK-UHFFFAOYSA-N 344.440 1.884 0 40 EDAB O=C([C@@H]1C[C@@H]2CCN(C(=O)C3(F)CC3)C[C@H]2O1)N1CCCCO1 1565547670 RKBYSRRYCUAZLM-RWMBFGLXSA-N 326.368 1.049 0 40 EDAB O=S(=O)(NCc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 15787065 AIYXNLSOXHYTEC-UHFFFAOYSA-N 349.803 1.794 0 40 EDAB O=C(CC1CC1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055746019 AIHAUNAIYSBRFQ-UHFFFAOYSA-N 348.472 1.995 0 40 EDAB O=C(Cn1nnc2ccccc21)NCc1nccnc1-c1cccnc1 585150372 CSFBONPOPKGQSX-UHFFFAOYSA-N 345.366 1.600 0 40 EDAB O=S(=O)(Cc1ccccc1F)NCc1cn(-c2ccncc2)nn1 585149643 RCCDUMMOIMEGKC-UHFFFAOYSA-N 347.375 1.421 0 40 EDAB COc1cnc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)nc1 2298187941 HWEUEYVQSRKLCT-LBPRGKRZSA-N 340.374 1.959 0 40 EDAB CCC[C@@H](O)Cc1oc(=O)cc(OC)c1CSC[C@H](O)C(=O)O 2332242365 KFVNFLYPJPYCBL-KOLCDFICSA-N 346.401 1.031 0 40 EDAB COc1ccc(-c2noc([C@H]3CCCN(S(C)(=O)=O)C3)n2)cc1 37696254 ZNIDFMCZRWBPIX-LBPRGKRZSA-N 337.401 1.884 0 40 EDAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@H](C(C)C)C2=O)cc1 31080775 JXJQODZHLNKPJC-OAHLLOKOSA-N 349.456 1.780 0 40 EDAB Cn1cnnc1CNC(=O)COc1ccc(Br)cc1 40497629 LFSQDMBDEJHFEW-UHFFFAOYSA-N 325.166 1.273 0 40 EDAB C[C@H](NC(=O)c1ccc2c(c1)CCO2)c1ccc(S(N)(=O)=O)cc1 40498075 HDJUNVGHZOFYAJ-NSHDSACASA-N 346.408 1.760 0 40 EDAB CNC(=O)c1cccc(NC(=O)c2ccc(CNC(N)=O)cc2)c1 40457600 DSHZTZGTQVYKLZ-UHFFFAOYSA-N 326.356 1.467 0 40 EDAB COc1ccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)cc1OC 182101 IFEFMZUDRKPQSP-UHFFFAOYSA-N 341.371 1.925 0 40 EDAB CNc1snc(C)c1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 31718233 GGYMEGZCGGMDEA-UHFFFAOYSA-N 346.416 1.077 0 40 EDAB Cc1ccc(C(=O)NCCCN(C)S(C)(=O)=O)cc1-n1cccc1 40515388 OBZGFJBQWADGCI-UHFFFAOYSA-N 349.456 1.797 0 40 EDAB CCOc1ncccc1CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 40522328 YLOMRHNGZANLIZ-GFCCVEGCSA-N 344.458 1.017 0 40 EDAB COc1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)c(OC)c1 40553759 YTQCWCHDVXPHRM-CYBMUJFWSA-N 342.399 1.893 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)[C@H]1CCCN(c2cnccn2)C1 45886860 JMQDVISJHBUQST-HOTGVXAUSA-N 326.400 1.543 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1C[C@@H](O)COc1ccccc1 72743 YQQODIFFLURVNQ-GFCCVEGCSA-N 333.365 1.271 0 40 EDAB COCCNC(=O)NC(=O)CNc1ccccc1Br 11621349 OVENIYNKGRHAEM-UHFFFAOYSA-N 330.182 1.333 0 40 EDAB O=C(CCCn1nnc2ccccc2c1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 101632472 FNIRVJRBTJRFFY-SOUVJXGZSA-N 338.411 1.900 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C)C2)c(OC)c1 46321577 BMWGETNYVKHLOR-DOMZBBRYSA-N 332.400 1.846 0 40 EDAB CC(C)n1[nH]cc/c1=N\C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 101681401 JBFZSCPSYPSNGZ-KCMXIOEKSA-N 333.436 1.941 0 40 EDAB COC(=O)[C@H]1[C@@H](c2ccccc2F)[C@@H](C(=O)OC)C(=O)C[C@@]1(C)O 3903514 GXGFXPWIXGOCLF-SZOQZIPDSA-N 338.331 1.212 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCNC(=O)C1 32716655 RLDVISQPOCJHOE-UHFFFAOYSA-N 326.400 1.380 0 40 EDAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H]2C=C[C@H]1C2 4619369 QMHQDRHBKIXVMT-OHFALNGGSA-N 326.396 1.858 0 40 EDAB CC(C)(C)NC(=O)CN1CCC(O)(c2ccc3c(c2)OCO3)CC1 4967684 LZEULCHUBYKXLE-UHFFFAOYSA-N 334.416 1.613 0 40 EDAB COC(=O)c1ccc(N2CCN(c3ccc(C(C)=O)cc3)CC2)nn1 32916272 HNCPTVBTURMZMR-UHFFFAOYSA-N 340.383 1.792 0 40 EDAB CCC(=O)N1CCN(c2ccccc2[C@H]2C[C@@H](C(=O)O)CC2=O)CC1 57328010 LDSLACXRXNYJAA-UKRRQHHQSA-N 344.411 1.893 0 40 EDAB O=C1CN(C(=O)c2ccc(CNC[C@@H]3C[C@H]4C=C[C@H]3C4)cc2)CCN1 102685727 GNWKVZGHVMPVER-SZMVWBNQSA-N 339.439 1.560 0 40 EDAB COc1cc(NC(=O)c2ccc(-n3cnnn3)cc2)cc(OC)c1 12323502 POGBKWWCMQINFK-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB CCN(CC)Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCOC)C2)c1 47447866 HPYIRBLJZVDVNY-INIZCTEOSA-N 347.459 1.962 0 40 EDAB Fc1ccc([C@H](CNc2ncnc3[nH]cnc23)N2CCOCC2)cc1 47509252 NKIKPSJSKQJYDN-AWEZNQCLSA-N 342.378 1.977 0 40 EDAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(S(=O)(=O)c2ccc(F)cc2)C1 100740113 KYVBWCCOVZXRHI-CHWSQXEVSA-N 348.399 1.795 0 40 EDAB biogenic Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24678274 IIOHFTRBIZTFHX-ZDUSSCGKSA-N 343.449 1.154 0 40 EDAB Cc1oc(-c2ccsc2)nc1CC(=O)N1CCN(CCO)CC1 75604674 RWTLUWBEXBAMIE-UHFFFAOYSA-N 335.429 1.391 0 40 EDAB CNS(=O)(=O)CCCN1CCC[C@@H]1Cc1ccccc1OC 75610313 VTUIMVNSFPNOEM-OAHLLOKOSA-N 326.462 1.641 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cc2c([nH]c1=O)CCCC2=O 24992948 DSBDSPKVGIGQKF-CQSZACIVSA-N 340.383 1.435 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)NCc1ccc(Br)s1 106535005 HZLIJOQJFLHCJA-SSDOTTSWSA-N 332.223 1.541 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1nc(-c3ccoc3)no1)CC2 76064457 FVPDHYMSISYHIG-UHFFFAOYSA-N 327.344 1.465 0 40 EDAB O=C(NC1CCN(C(=O)c2ccc(O)nn2)CC1)c1ccc(F)cc1 25210511 NIDXIQFHBGCIIB-UHFFFAOYSA-N 344.346 1.356 0 40 EDAB CCNC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1CCC(N)=O 25246385 IAQSDUSMYVSEEP-SECBINFHSA-N 337.405 1.030 0 40 EDAB CNC(=O)c1ccc(CN2CC[C@H](N(C)Cc3noc(C)n3)C2)cc1 76047339 ODDHOBCTGTTWPL-INIZCTEOSA-N 343.431 1.444 0 40 EDAB CN(CC(=O)N1CCC[C@@H]1c1ccncc1)c1ncnc2[nH]cnc12 56403484 RZIJTJQRUONPSZ-CYBMUJFWSA-N 337.387 1.548 0 40 EDAB COc1cccc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 22617774 KKQJQFPKRPLMGZ-MRXNPFEDSA-N 327.384 1.591 0 40 EDAB CN(CC(=O)NC1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 16555948 OUPYAJQPFIOREU-UHFFFAOYSA-N 328.416 1.804 0 40 EDAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)NC(C)(C)C)c1=O 57486092 CPUFJVNHOJQLPU-UHFFFAOYSA-N 337.445 1.795 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1 26912431 COPVTUZXFXQXJA-UHFFFAOYSA-N 348.380 1.035 0 40 EDAB COc1ccccc1CNC(=O)CN1CCC[C@@H](N2CCCC2)C1 76681098 IHKDUMGOCZLMEI-QGZVFWFLSA-N 331.460 1.872 0 40 EDAB CC(=O)NCc1ccc(C(=O)NCCCn2nc(C)cc2C)cc1 44869115 VFRWDPNXTIMHNJ-UHFFFAOYSA-N 328.416 1.956 0 40 EDAB C[C@H]1CN(CCNC(=O)c2csc(-c3cnn(C)c3)n2)C[C@@H](C)O1 44958280 XXAYAPZTZKHQNI-TXEJJXNPSA-N 349.460 1.383 0 40 EDAB C[C@H](NC(=O)NC[C@H](C)N1CCOCC1)c1ccc2c(c1)OCCO2 44950992 MXFGCBBFDJGIRN-KBPBESRZSA-N 349.431 1.539 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@@H]1CCCN(C(=O)C2CC2)C1 58323631 AJFBKONHSVRESZ-CYBMUJFWSA-N 340.387 1.249 0 40 EDAB CN(CC(=O)NC[C@@H](O)COc1cccc(F)c1)Cc1ccccc1 58312524 OQIMIBYBVJGAOX-QGZVFWFLSA-N 346.402 1.814 0 40 EDAB CCc1noc(CCCC(=O)N(CCC(N)=O)Cc2ccccc2)n1 58378435 DETQVENGPXLQAN-UHFFFAOYSA-N 344.415 1.859 0 40 EDAB CC(C)CN(CC(F)(F)F)C(=O)Cn1cnc2c(cnn2C)c1=O 58910429 ODRSURFIEILYIQ-UHFFFAOYSA-N 345.325 1.177 0 40 EDAB Cc1cccc(C(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)n1 48339905 FMLGMIRQEGSHGJ-UHFFFAOYSA-N 327.388 1.158 0 40 EDAB Cc1ccc(F)cc1NC(=O)CCn1cnc2c(cnn2C)c1=O 11425929 SMPFUWSEVRVFBE-UHFFFAOYSA-N 329.335 1.606 0 40 EDAB O=C(COC(=O)c1ccc2ccccc2c1O)NC[C@H]1CCCO1 3439149 TUIXHPNVJLVRQF-CYBMUJFWSA-N 329.352 1.997 0 40 EDAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(=O)[nH]n3)c2C(N)=O)C1 3448166 FTXBEBQFMLTHGQ-ZETCQYMHSA-N 332.385 1.307 0 40 EDAB CCOc1ncccc1C(=O)OCc1cc(=O)n2ccsc2n1 3542621 OOZSRPYJAFSCJD-UHFFFAOYSA-N 331.353 1.907 0 40 EDAB CCNC(=O)NC(=O)COC(=O)c1ccccc1Br 3506886 SWMNJHBWWMVZPM-UHFFFAOYSA-N 329.150 1.452 0 40 EDAB O=C1[C@H]2CCCN2C(=O)N1C[C@@H](O)COCc1ccccc1Cl 12987992 NXXUVZALOHCJDU-TZMCWYRMSA-N 338.791 1.644 0 40 EDAB O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)NC2CCCC2)c2ccccc21 4046800 CAJZZHSZCXZUPK-YOEHRIQHSA-N 328.368 1.905 0 40 EDAB biogenic COC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4073359 YPQBTQYKPYMKFG-YPMLDQLKSA-N 341.367 1.765 0 40 EDAB biogenic C[C@@H]1CCc2c(sc3nc(CSc4nnnn4C)[nH]c(=O)c23)C1 13597945 QVBZBBLAUBWENK-SSDOTTSWSA-N 348.457 1.925 0 40 EDAB COc1ncccc1NC(=O)C(=O)NCCc1ccc(N(C)C)cc1 69444150 LPCRJJXYUDIFDQ-UHFFFAOYSA-N 342.399 1.454 0 40 EDAB CCOc1ccc(C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1 5212401 LIQADFVCHQKIMS-UHFFFAOYSA-N 332.356 1.715 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2ccn(-c3cccc(F)c3)n2)C[C@@H](C)O1 65407554 YDPWFQGGTHPJFZ-ZIAGYGMSSA-N 346.406 1.850 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O 14018627 LXRWYFQTTORGAZ-LLVKDONJSA-N 343.355 1.577 0 40 EDAB C[C@H]1CN(CCN2CCCC2=O)CCN1C[C@H](O)c1ccccc1 69846255 ZAVSZZGLSJBDHM-WMZOPIPTSA-N 331.460 1.349 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCCc1ccc2c(c1)OCO2 14201099 VLKLFRDYGLJZBT-UHFFFAOYSA-N 326.352 1.504 0 40 EDAB CCCCc1noc(CNc2ccccc2C(=O)NCCC(N)=O)n1 69617734 ATEROCHRNJUYDD-UHFFFAOYSA-N 345.403 1.630 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 69951190 LDLCFCRMEJUENJ-GOSISDBHSA-N 346.471 1.715 0 40 EDAB C[C@@H]1CN(C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CCO1 66561985 LCSIAVHYCYLWGM-CQSZACIVSA-N 335.423 1.949 0 40 EDAB CCc1nnsc1C(=O)N1CCC(N(C)c2cccnn2)CC1 69929671 JENXVJMYFVAVEG-UHFFFAOYSA-N 332.433 1.632 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc[nH]2)cc1 6847182 FVNUWDCZVRNLEG-UHFFFAOYSA-N 335.429 1.975 0 40 EDAB Cc1cccc(OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 6993105 VLOBNTMATNCONJ-UHFFFAOYSA-N 331.372 1.660 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2cc(-c3cccs3)on2)n(C)c1=O 7064846 DNWYIEAXELYUAF-UHFFFAOYSA-N 343.368 1.199 0 40 EDAB O=C(CNC(=O)N1CC(O)=Nc2ccccc21)NCc1ccccn1 8741390 LQTBGFUMDNCDAC-UHFFFAOYSA-N 339.355 1.516 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 78788774 NCMWCCMXHCIELI-IAGOWNOFSA-N 334.464 1.027 0 40 EDAB C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CCC(N)=O)C1=O 15501767 BRLCFDQEUYQGMZ-CYBMUJFWSA-N 330.171 1.636 0 40 EDAB C[C@@H](OC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1)C(N)=O 7253866 DXVOAEBQHABSFY-CYBMUJFWSA-N 340.379 1.989 0 40 EDAB CCc1nnc(NC(=O)CSCC(=O)N2CCCCC2)s1 7347393 WIAFFSQEMIMCSM-UHFFFAOYSA-N 328.463 1.785 0 40 EDAB CCNC(=O)COC(=O)c1cc(I)ccc1N 9833796 WWWPBTQKFDVHCM-UHFFFAOYSA-N 348.140 1.166 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)NC(=O)NCc1ccco1 7495126 KJNBJQJREFGEBG-UHFFFAOYSA-N 332.341 1.077 0 40 EDAB COC(=O)C[C@H]1CSCCN1C(=O)c1ccc([S@@](C)=O)cc1 78869567 WYRZOZARYXOAIC-YTEVENLXSA-N 341.454 1.545 0 40 EDAB Cn1c(=O)c2cc(NC(=O)c3cccc(Cl)c3)cnc2n(C)c1=O 9049285 SLLWHNDHMAPMTH-UHFFFAOYSA-N 344.758 1.538 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)n1 71282025 CCCRHJYAWIUNTL-UWVGGRQHSA-N 326.374 1.544 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)CN1CC1CC1 84136577 ZIACMGGKMCQZSB-ZIAGYGMSSA-N 344.415 1.869 0 40 EDAB O=C(COc1cc(F)ccc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269652 MSRUWXGXFJRYGN-HUUCEWRRSA-N 340.370 1.401 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 93531527 UFCVBDNMYOPJJF-CQSZACIVSA-N 338.408 1.135 0 40 EDAB COc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 71782601 LZDLZGJXASXKJQ-MRXNPFEDSA-N 337.383 1.782 0 40 EDAB CC[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1c(C)nn(C)c1C 79010687 UKUHFKGQWACAPQ-TZMCWYRMSA-N 333.436 1.551 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)cc1 71866210 KXKODQHQRBEFRY-CQSZACIVSA-N 333.413 1.591 0 40 EDAB C[C@@H](CNC(=O)CCc1nc(-c2ccco2)no1)N1CCN(C)CC1 71867427 UKVYNYJGCCLTDY-ZDUSSCGKSA-N 347.419 1.014 0 40 EDAB CN(CC(=O)N1CCN(c2ccccn2)CC1)Cc1cscn1 71828257 QFYYOHXVTDXDDE-UHFFFAOYSA-N 331.445 1.319 0 40 EDAB CN1CCC(NC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 71857163 AMHFRNLBYSYCBD-MRXNPFEDSA-N 330.432 1.181 0 40 EDAB Cc1nnc(NC(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)s1 71897524 XHNSWZNTJFRACV-UHFFFAOYSA-N 349.420 1.457 0 40 EDAB O[C@@H](COCc1ccccc1)CN1CCCC[C@@H]1Cn1cncn1 71877012 IQCCFXDNNOFXQE-QZTJIDSGSA-N 330.432 1.710 0 40 EDAB O=C(NC1CCN(CC(F)F)CC1)N1CCC[C@@H]1CN1CCCC1 71857304 KSXUPEDCMOMDOT-OAHLLOKOSA-N 344.450 1.986 0 40 EDAB C[C@@H](C(=O)Nc1ccn(C)n1)N1CCN(c2ccc(F)cc2)CC1 71897824 VACKNOXAIMHVII-ZDUSSCGKSA-N 331.395 1.708 0 40 EDAB COc1ccc(Cl)cc1CC(=O)N1CCN(C[C@H](C)O)CC1 71871072 NZHFKLCRDCMWGX-LBPRGKRZSA-N 326.824 1.416 0 40 EDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cc2ccccc2c(=O)[nH]1 71821174 DMIIWTWCVZFSHO-AWEZNQCLSA-N 349.394 1.717 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)[C@H](C)Oc1cccc(C(C)=O)c1 83888812 JQPVDRHFIOBBOH-XJKSGUPXSA-N 332.400 1.784 0 40 EDAB CC(C)[C@@H](NCC(F)(F)F)C(=O)NCCCCN1CCOCC1 71922188 FYCQUKQKDYZIPT-CYBMUJFWSA-N 339.402 1.392 0 40 EDAB C[C@@H](NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)N(C)C 71921670 KFDFFWUTWGGQFL-ZCFIWIBFSA-N 340.232 1.331 0 40 EDAB O=C(c1nccc2ccccc12)N1CCN([C@@H]2CCC[C@@H]2O)CC1 84598719 VJKLMFPTFCVLIG-SJORKVTESA-N 325.412 1.906 0 40 EDAB O[C@H](CN1CCN(Cc2ccc(Cl)s2)CC1)Cn1cccn1 95352991 AEXZLODHXBYIPO-CYBMUJFWSA-N 340.880 1.777 0 40 EDAB C[C@@](O)(C(=O)NCc1n[nH]c(=S)n1C1CC1)c1cccc(F)c1 73428384 JXMVLKLWFRKHDI-HNNXBMFYSA-N 336.392 1.939 0 40 EDAB C[C@@H](C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)S(C)(=O)=O 89369010 AWXJYQBGJHICOE-ZFWWWQNUSA-N 325.430 1.627 0 40 EDAB Cc1ccc(O[C@@H](C)CNC(=O)N2CCS(=O)(=O)C[C@H]2C)cc1 75307924 BENNZBNFMDDAHO-KGLIPLIRSA-N 340.445 1.591 0 40 EDAB CCN(CC)CCCNC(=O)C1CCN(C(=O)c2cc(C)n[nH]2)CC1 68468479 XUXXSMRGAUYZDH-UHFFFAOYSA-N 349.479 1.418 0 40 EDAB O=C(O)c1nccnc1C(=O)N1CCN(c2ccc(F)cc2)CC1 32088156 NJAMRZYMWDNYSS-UHFFFAOYSA-N 330.319 1.276 0 40 EDAB CCn1nc(C)c(CC(=O)N[C@H]2CCc3nc(N)sc3C2)c1C 514731276 WNCQGXJDUYJPDB-NSHDSACASA-N 333.461 1.775 0 40 EDAB Cc1cnc2cc(C(=O)N3C[C@@H](N4CCOCC4)C[C@@H]3C)ccn12 516936691 LAPUYZFTNMSGLZ-BBRMVZONSA-N 328.416 1.578 0 40 EDAB Cc1ncsc1C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 519092090 FQBVQASXLFWNMD-UHFFFAOYSA-N 345.424 1.854 0 40 EDAB O=C(NCCCCNC(=O)NCc1ccco1)NCc1ccco1 3848507 WGAVDVZHIBFAQP-UHFFFAOYSA-N 334.376 1.951 0 40 EDAB biogenic CCNS(=O)(=O)[C@@H]1CCN(Cc2cnc(OC)c(Cl)c2)C1 536569270 RNWXHQFPTQOQQS-LLVKDONJSA-N 333.841 1.257 0 40 EDAB O=S(=O)(Cc1ccccc1F)Nc1cncnc1-n1cccn1 127239974 NAEKJKBRWXGFRD-UHFFFAOYSA-N 333.348 1.743 0 40 EDAB CCn1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)n1 72241527 JBDLPNIXEBVTGD-CVEARBPZSA-N 346.362 1.579 0 40 EDAB Nc1nc(N2CCN(c3ccc(Cl)cc3)CC2)c2nc[nH]c2n1 31818921 VHYGDDLMVMPMCL-UHFFFAOYSA-N 329.795 1.915 0 40 EDAB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCO[C@@H](C)C2)c1 78611114 WYCJHOSLEYMAQX-NSHDSACASA-N 347.458 1.116 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc3sncc3c2)CC1 188228308 DRMGVOAHJGSUPS-UHFFFAOYSA-N 339.442 1.906 0 40 EDAB Cc1occc(=O)c1OCc1noc(C(=O)NCc2ccco2)n1 32091160 LNAKHYKAWWACGX-UHFFFAOYSA-N 331.284 1.433 0 40 EDAB COc1ccccc1C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cccnc1 77261753 XMNNGVMBGVEXTO-MUIFIZLQSA-N 328.368 1.098 0 40 EDAB biogenic,in-vitro O=C(CN1C(=O)CCC1=O)N(Cc1ccccn1)Cc1ccco1 62018006 OXHZVIFFMQGZTD-UHFFFAOYSA-N 327.340 1.352 0 40 EDAB Cc1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)no1 72241771 CDPSTKPLSSXNJN-HUUCEWRRSA-N 333.319 1.659 0 40 EDAB Cc1nn(C)c2[nH]c(C(=O)N3CCN(CCC(C)C)CC3)cc(=O)c12 81282553 GJYGXWPJZHWNIG-UHFFFAOYSA-N 345.447 1.374 0 40 EDAB CC(C)(C)CCS(=O)(=O)NC(=O)c1cnn(CC(F)(F)F)c1 195577009 CZWRFTZLDLDDCJ-UHFFFAOYSA-N 341.355 1.941 0 40 EDAB COc1ccc(OC)c(NC(=O)c2cc(N3CCOCC3)on2)c1 224076689 CONDCIUHVUVGLY-UHFFFAOYSA-N 333.344 1.781 0 40 EDAB C[C@H]1C[C@@H](C)CN(Cc2nnc(CN3C[C@@H](C)C[C@@H](C)C3)n2N)C1 225148971 YHKVRFMVWLJGQI-GEEKYZPCSA-N 334.512 1.948 0 40 EDAB C[C@](O)(CNC(=O)Cn1c(=O)oc2ccccc21)c1cccs1 75155892 AUJWLVZBUIEGHO-INIZCTEOSA-N 332.381 1.680 0 40 EDAB C[C@@H](CNC(=O)N1CCSC[C@@H]1c1cnn(C)c1)Cn1cccn1 191499435 WMXDTVOVJFSIJX-DZGCQCFKSA-N 348.476 1.752 0 40 EDAB COc1c(C)cc(C)cc1S(=O)(=O)NC(=O)[C@H]1CCCOC1 225725942 NEQKTXITWXOYFV-LBPRGKRZSA-N 327.402 1.544 0 40 EDAB O=C(NCc1cccnc1)[C@]12COC[C@H]1CN(Cc1nccs1)C2 96110072 VUQCEFVIEHGNTI-RHSMWYFYSA-N 344.440 1.303 0 40 EDAB Cc1nc(CN2C(=O)CO[C@@H]3CN(C(=O)C4CCCC4)C[C@H]32)cs1 96246366 UDYOTXOKEFUKFZ-HUUCEWRRSA-N 349.456 1.580 0 40 EDAB COC[C@@H]1C(=O)NCC12CCN(C(=O)Cc1ccc(OC)cc1)CC2 96207468 QLLRORFMPYBZCV-MRXNPFEDSA-N 346.427 1.239 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCO1 96426329 MXRRIKSIMXVXLR-UPJWGTAASA-N 343.210 1.810 0 40 EDAB Cn1cc([C@H]2CC(=O)NC23CCN(C(=O)c2cccs2)CC3)cn1 96199806 PQYMXRWHGAJSKS-CYBMUJFWSA-N 344.440 1.760 0 40 EDAB OCCN1CCC2(CC1)C[C@@H](N[C@@H]1CCOC1)c1ccccc1O2 96079870 HVGRBADOXRMHRW-NVXWUHKLSA-N 332.444 1.716 0 40 EDAB CN1C[C@H](C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)CC1=O 96431483 XNSUAFDCVYZALJ-GFCCVEGCSA-N 330.363 1.148 0 40 EDAB O=C([C@@H]1CN(C(=O)N2CCCC2)CC12CCOCC2)N1CCCC1 96052201 RXNGMDQNYDLPMK-HNNXBMFYSA-N 335.448 1.553 0 40 EDAB C[C@@](NC(=O)[C@@H]1CCCOC1)(C(N)=O)c1cccc(C(F)(F)F)c1 96454545 XBQSHDODSQLCKQ-BMIGLBTASA-N 344.333 1.949 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(Cc2cccc(OC(F)(F)F)c2)C1 93531407 FQJWGXRXFQVYAN-NSHDSACASA-N 338.351 1.709 0 40 EDAB Cc1c(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)cnn1C(C)C 583618790 LCZVQIASMTZRCK-QGZVFWFLSA-N 346.435 1.679 0 40 EDAB O=C(O)[C@H]1CN(C(=O)c2ccccc2OC[C@@H]2CCCO2)CCO1 583650609 QCOAXKWBQJSVHP-SWLSCSKDSA-N 335.356 1.170 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2cncs2)C1 257253975 KBBCUCDQZXATMO-KRWDZBQOSA-N 349.431 1.991 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1 257321479 WBWJQHKYBCVVMX-CYBMUJFWSA-N 338.371 1.608 0 40 EDAB O=C(C1CC1)N1CC[C@](O)(CN2CCN(c3ccccc3)CC2)C1 257341592 ZKZIOBMOMWNIDB-IBGZPJMESA-N 329.444 1.182 0 40 EDAB O=C(Cn1cccc1)NCc1nnc2ccc(-c3cccs3)nn12 252483862 FKGQFVAEPZFKKG-UHFFFAOYSA-N 338.396 1.971 0 40 EDAB O=S(=O)(CCC1CCOCC1)NC[C@@H]1CC(C(F)(F)F)=NO1 585114924 FMBPTVSDTUWIEF-JTQLQIEISA-N 344.355 1.430 0 40 EDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC(=O)N(C2CC2)C1 585137254 OYUBNXWOALIAMC-HNNXBMFYSA-N 328.416 1.235 0 40 EDAB CS(=O)(=O)C1(c2noc(-c3cccc4c3OCCO4)n2)CCC1 585120323 HTTXZILUIJQCCY-UHFFFAOYSA-N 336.369 1.932 0 40 EDAB Cn1cncc1C(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 585113020 YNYVEOFEQIUXLR-CHWSQXEVSA-N 334.420 1.986 0 40 EDAB CON(C)C(=O)CSC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 585118673 XZKBWTAHANJHAA-CQSZACIVSA-N 334.438 1.111 0 40 EDAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCC1CS(=O)(=O)C1 585126831 JEMADKFMKNRQTH-ZZXKWVIFSA-N 333.331 1.879 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2cn(C)nc2C)C1 257210891 BWPATMZSVJHBSY-CYBMUJFWSA-N 328.420 1.655 0 40 EDAB O=C(CCc1cccs1)NC[C@]1(O)CCN(c2ncccn2)C1 257272437 NCKHMUKTNREUGL-MRXNPFEDSA-N 332.429 1.228 0 40 EDAB C[C@@](O)(CNC(=O)Cn1c(=O)oc2ccccc21)Cc1ccsc1 618255587 TUCUTIOKGVFRGO-KRWDZBQOSA-N 346.408 1.766 0 40 EDAB O=C(Nc1ncccc1O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 276227599 YITMWCPNAGANQF-QWHCGFSZSA-N 331.372 1.167 0 40 EDAB O=C(N[C@H]1CCOC[C@H]1N1CCCC1)c1ccc(OC(F)F)cn1 1616032420 OLOUUPMBQQQJRZ-GXTWGEPZSA-N 341.358 1.666 0 40 EDAB COC(=O)[C@@H]1CCn2c(nnc2CN2CCCc3ccccc32)C1 601043806 BVJFONCUPWWPPN-CQSZACIVSA-N 326.400 1.966 0 40 EDAB COC(=O)c1ccnc(N2CCC(OCCN3CCCC3)CC2)n1 1615003147 GDXPJDMWXSRGEJ-UHFFFAOYSA-N 334.420 1.344 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccncc2)C1 42753142 XGNHNJKRWZPJSQ-HUUCEWRRSA-N 337.445 1.417 0 40 EDAB O=C([C@H]1CCOC1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575404471 CUOLQARVEUCYHC-HOCLYGCPSA-N 327.384 1.709 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 575404948 FWVTZEYKJRXREP-HNNXBMFYSA-N 326.356 1.064 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CCO2)C1 575405113 RBHNYHOWGDZKMT-RBSFLKMASA-N 336.432 1.041 0 40 EDAB Cc1nc2ccccn2c1CC(=O)N1CC[C@]2(CCCO2)C(=O)C1 585289317 PPWADESJLNHELT-GOSISDBHSA-N 327.384 1.536 0 40 EDAB Cc1ccnc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CN2CCCC2)c1 585094622 FTJRWRIAJQWBGD-OAHLLOKOSA-N 339.443 1.786 0 40 EDAB O=C(NCCN1CCOCC1)c1ccn(-c2ccccc2Cl)n1 50536161 KKKHTSYAQHATFR-UHFFFAOYSA-N 334.807 1.588 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)c2ccccc2C(=O)c2cccs2)CCO1 50857130 OILJDMXQHFWTPL-ZDUSSCGKSA-N 344.392 1.305 0 40 EDAB CCOC(=O)CCCNS(=O)(=O)c1ccc(OC)c(OC)c1 58201431 INTJYGHZOHVCNK-UHFFFAOYSA-N 331.390 1.325 0 40 EDAB Cc1c(CC(=O)N2CCN(CC3CC3)CC2)nnn1-c1ccccc1 57356236 SHXZYLIJDSILST-UHFFFAOYSA-N 339.443 1.672 0 40 EDAB Cc1ccc(N2CCCN(C(=O)CCc3nccs3)CC2)nn1 69615219 HQUGNFSQNRKUMS-UHFFFAOYSA-N 331.445 1.913 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@@H]2CCCN(C(C)C)C2)c(=O)[nH]1 72274187 FOQCJLLHIMEQIO-HNNXBMFYSA-N 334.464 1.911 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCCNc1ncccn1 96190004 IOWQWMTUTOMEFZ-YFTXEMMHSA-N 349.460 1.263 0 40 EDAB COc1cccc(NC(=O)N2CC3(CC(=O)N(CC4CC4)O3)C2)c1 1549168338 VCOJWWMLELHIFB-UHFFFAOYSA-N 331.372 1.855 0 40 EDAB Cc1ccc2[nH]cc(NC(=O)NCCN3CCOCC3)c(=O)c2c1 13565930 TWKQYEKUHMRDNJ-UHFFFAOYSA-N 330.388 1.290 0 40 EDAB Cc1nc2ccccc2n1CC(=O)OCC(=O)NCc1ccco1 15912479 SFHHNNBVVOCMQL-UHFFFAOYSA-N 327.340 1.797 0 40 EDAB O=C(NC1CCCC1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 19747846 TYZYSJXHBNYTHW-INIZCTEOSA-N 328.416 1.823 0 40 EDAB COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1O 8477319 ZTLZNYRQCHSTDY-XYOKQWHBSA-N 330.340 1.805 0 40 EDAB Cc1cc(Nc2ccccc2)nc(SC[C@@H](O)COCCO)n1 5739957 UAOOZYSDTXPTOJ-AWEZNQCLSA-N 335.429 1.991 0 40 EDAB Cc1ccc(O[C@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)nn1 225429590 ABWIAGOPLOJIAA-LBPRGKRZSA-N 329.360 1.058 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](c2ncon2)C1 238852141 JNRUCEZXFKOJOM-SECBINFHSA-N 343.792 1.910 0 40 EDAB COc1cnc(C(=O)N2CCC3(CC(NC(=O)C4CC4)C3)C2)nc1 1565545585 LAXFBGSFNRYCHH-UHFFFAOYSA-N 330.388 1.006 0 40 EDAB Cc1cc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2cccnc2)n(C)n1 1565552247 XKJLZSFNKCMFAG-IRXDYDNUSA-N 325.416 1.499 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 1565547975 VGUJGRODJBWJDO-HRCADAONSA-N 328.372 1.394 0 40 EDAB CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cn(C)c3ncccc23)C1 1565543503 ASAOMAIUEBREQP-IAOVAPTHSA-N 342.443 1.641 0 40 EDAB CC1CC(C(=O)N2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)C1 1565546296 YODWKKNKVYLMHG-UHFFFAOYSA-N 326.462 1.495 0 40 EDAB CCOC(=O)[C@@H](C)n1cnc2c(nnn2Cc2ccccc2)c1=O 4266441 BPDAYKPSJZSFSW-LLVKDONJSA-N 327.344 1.160 0 40 EDAB COc1ccc(-n2nnc(-c3nc(-c4ccncc4)no3)c2N)cc1 4316759 OILKMWUPQKUUJT-UHFFFAOYSA-N 335.327 1.970 0 40 EDAB O=C(C1CC1)N1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771581 JVYTVORBMUSYPB-AWEZNQCLSA-N 344.337 1.289 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2)CC1 43979632 YZKMZMRRSGJAHE-UHFFFAOYSA-N 330.837 1.741 0 40 EDAB C[C@H](CO)[C@@H](C)N1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2C 4826884 NROOBIQMBJYJAU-HSMVNMDESA-N 329.400 1.496 0 40 EDAB Cc1ccc(O)c(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)c1 12391968 QDNJCQQZJNIBCI-UHFFFAOYSA-N 327.344 1.311 0 40 EDAB CC(=O)N[C@@H](C(=O)Nc1ccc(-n2cncn2)nc1)C1CCCC1 40497003 RZEWJIYNTKYXRF-OAHLLOKOSA-N 328.376 1.296 0 40 EDAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 40466056 VZQYRJZNOUVSED-LLVKDONJSA-N 340.811 1.836 0 40 EDAB CC(=O)c1cccc(OC[C@H](O)Cn2nnc3ccccc3c2=O)c1 40477423 AIWCLAOZLUHJPP-CQSZACIVSA-N 339.351 1.434 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2nc(C)no2)cc1 40554840 PPTHCPNRXXSRGV-AWEZNQCLSA-N 330.388 1.936 0 40 EDAB O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1cccc(CO)c1 51483405 MXIHWHOLMWXUJH-UHFFFAOYSA-N 327.315 1.667 0 40 EDAB Cc1ccc(-c2nnc3ccc(OCCN4CCOCC4)nn23)cc1 20621882 MLHHLDNYNZOPPC-UHFFFAOYSA-N 339.399 1.811 0 40 EDAB CCn1cc(C(=O)NCCc2c[nH]cn2)c(=O)c2ccc(C)nc21 20745695 RFCKQGTWWGLKII-UHFFFAOYSA-N 325.372 1.420 0 40 EDAB CCCNC(=O)CN(C)C(=O)c1nn(-c2ccc(C)cc2C)nc1C 7781015 ZOOMYTLZZKORIL-UHFFFAOYSA-N 343.431 1.791 0 40 EDAB CCOC(=O)c1sc2ncn(CC(=O)N3CCCC3)c(=O)c2c1C 109698 GCVJBBHCKMWAIV-UHFFFAOYSA-N 349.412 1.566 0 40 EDAB Cc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)o1 29317609 BVFNERAFYWIXJM-UHFFFAOYSA-N 336.369 1.740 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc2c(c1)OCCO2 45954153 SGDFSDPECBUIQW-UHFFFAOYSA-N 337.339 1.615 0 40 EDAB O=C(NC1CCN(C(=O)CCn2cccn2)CC1)c1ccccc1 46325588 PENRIYPKNOAEHC-UHFFFAOYSA-N 326.400 1.694 0 40 EDAB C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CCC[C@H](c2ccn[nH]2)C1 101985319 FPWAUAKNIHZMSP-DVHWGFDPSA-N 342.447 1.817 0 40 EDAB CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc(S(N)(=O)=O)c1 1704690 JDBUTBUZYYSUDX-UHFFFAOYSA-N 329.374 1.464 0 40 EDAB CCOc1ccc([C@@H]2CCCN2C(=O)CC[C@@H]2NC(=O)NC2=O)cc1 32821007 AVZJKJRUHRXXLE-GJZGRUSLSA-N 345.399 1.737 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCc2ccccc2OC(F)(F)F)C1 32832454 FJVMJJFFCMUHPW-NSHDSACASA-N 345.321 1.992 0 40 EDAB COc1ccc(CC(=O)OCC(=O)NC[C@@H]2CCCO2)cc1OC 6424449 STRJSBWVHJVWGM-ZDUSSCGKSA-N 337.372 1.085 0 40 EDAB CCCC(=O)Nc1nnc(S(=O)(=O)N2CCCCCC2)s1 6818019 RWTCREGGHCBFRO-UHFFFAOYSA-N 332.451 1.841 0 40 EDAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC(N)=O)CC1 32902731 IAJYFXLLMYBGCH-HNNXBMFYSA-N 339.823 1.047 0 40 EDAB Cc1n[nH]c(-c2ccccc2N2C(=O)c3ccccc3C2=O)nc1=O 32934894 VZUZUUMZQNVLDD-UHFFFAOYSA-N 332.319 1.941 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)N2CCCCCC2)cc1 8158107 WJRCTALBQXIWAF-UHFFFAOYSA-N 326.418 1.376 0 40 EDAB O=C(CCNc1ncccn1)NCc1cccc(N2CCCC2=O)c1 53055036 NZZPDFSHYVHZFB-UHFFFAOYSA-N 339.399 1.722 0 40 EDAB CC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 798632 PFGUNBVBGLYEPI-UHFFFAOYSA-N 326.418 1.375 0 40 EDAB Cc1noc(CCCC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)n1 46744971 WLQALKIUJDKCOC-HNNXBMFYSA-N 336.436 1.414 0 40 EDAB Cc1noc(C2CCN(C(=O)c3ccnc(-n4ccnc4)c3)CC2)n1 54135967 UCDZVLRDFLQZFX-UHFFFAOYSA-N 338.371 1.979 0 40 EDAB Cc1cccc(N(C)CC(=O)N2CCN(C(=O)C3CC3)CC2)c1C 54290705 WPHZXLHXZPGVMU-UHFFFAOYSA-N 329.444 1.820 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1cccc(Cl)c1 7942077 YFDGLXPRMQWPPX-UHFFFAOYSA-N 343.770 1.660 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)Cn3c(=O)cnc4ccccc43)cc12 24032976 ZFIPDHQUMCLTBS-UHFFFAOYSA-N 348.366 1.625 0 40 EDAB Cc1cc(C)c(CNC(=O)c2ccc3c(c2)CCC(=O)N3)c(=O)[nH]1 24186849 NJYDYNXMHOYCOY-UHFFFAOYSA-N 325.368 1.806 0 40 EDAB Cc1ccc([C@@H](CNc2ncnc3[nH]cnc23)N2CCOCC2)o1 47509936 VMQGWDHUYJTIFS-GFCCVEGCSA-N 328.376 1.740 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)N[C@H](C)CO)cc2F)C[C@@H](C)O1 106090575 JNBZVPSBWAHCQJ-UTUOFQBUSA-N 325.384 1.942 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)Cn1c(S)nnc1-c1cccs1 25048163 NBZWKFNKSHFMFE-UHFFFAOYSA-N 348.457 1.687 0 40 EDAB C[C@H](OCc1ccccc1)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 106909516 BZHJFLNDPJJQCE-CGTJXYLNSA-N 332.444 1.649 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1C[C@@H]2CC[C@@H]1C2 102948526 QCMJUUAKWLBGEL-SBFPOUOMSA-N 335.429 1.959 0 40 EDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3[nH]cnc3c2)C1=O 12549798 YGXSXOQNFPYJBA-SFHVURJKSA-N 349.350 1.675 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 102081157 CNBMMEAGFDKVER-OKILXGFUSA-N 345.326 1.503 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 43820915 DUSVFIGCMLMVHX-OAHLLOKOSA-N 338.452 1.790 0 40 EDAB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)N1CCC(C(N)=O)CC1 28233760 LHZLPTRQAHYSDO-VIFPVBQESA-N 346.353 1.570 0 40 EDAB CN1C(=O)N(CC(=O)OCc2cccnc2)C(=O)C12CCCCC2 57289694 WTMLVSHLHLKBQD-UHFFFAOYSA-N 331.372 1.722 0 40 EDAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CS(=O)(=O)c1ncc[nH]1 172879579 BQRTWXYOHVLXOO-JTQLQIEISA-N 325.365 1.542 0 40 EDAB O=C(CS(=O)(=O)c1cccc[n+]1[O-])N[C@H]1CCCc2ccccc21 47940701 YSLLZPGPMHOHQV-HNNXBMFYSA-N 346.408 1.288 0 40 EDAB COc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1F 69917630 BIDWIBVOXGPSRS-QWRGUYRKSA-N 346.424 1.970 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 58228703 CREYUSJKPJXXKU-CQSZACIVSA-N 330.363 1.752 0 40 EDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCc1cccc(O)c1 58278317 YQADDUYAHLYOQC-UHFFFAOYSA-N 337.379 1.920 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N(Cc2cccnc2)C(C)C)C1=O 58210644 JSUKJAVPSKQXON-UHFFFAOYSA-N 346.431 1.929 0 40 EDAB O=C(NCCC(=O)N1CCOCC1)c1ccc2c3c(cccc13)CC2 44908455 NYYPPZBFRWSVCP-UHFFFAOYSA-N 338.407 1.917 0 40 EDAB Cn1ncc2c(NCCCS(=O)(=O)Cc3ccccc3)ncnc21 44975847 UYCBUVBWLBNGSI-UHFFFAOYSA-N 345.428 1.780 0 40 EDAB Cc1cc(NC(=O)CS(=O)(=O)c2ccc3c(c2)OCCO3)no1 44947899 OSNZTNVSCFGMNO-UHFFFAOYSA-N 338.341 1.167 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC[C@@H]2CCS(=O)(=O)C2)o1 44908481 RMZFGPBPQWKDPT-DYEKYZERSA-N 325.430 1.887 0 40 EDAB Cc1cc2nnc(SCCCN3C(=O)NC(C)(C)C3=O)n2c(C)n1 44966010 BLLXNGDLMRPYBB-UHFFFAOYSA-N 348.432 1.554 0 40 EDAB Cc1occc1C(=O)NCC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 58343554 LQNUBHKHBXCLCY-LLVKDONJSA-N 347.337 1.318 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC 27931799 VCNIETBDFFNCFW-VXGBXAGGSA-N 329.418 1.810 0 40 EDAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)CNC1=O 3336156 DHRNSPDZRYUDOL-ZETCQYMHSA-N 326.150 1.328 0 40 EDAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCCC2)C1=O 3340651 PVVYIZAIOTVLQT-MRXNPFEDSA-N 335.791 1.729 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)s1 28327500 TTWOFIMPHJLJOB-CABZTGNLSA-N 332.447 1.230 0 40 EDAB C[C@@H]1CCc2ccccc2N1C(=O)CS(=O)(=O)C[C@@H]1CCCO1 45359672 BMLGIKZZLNRLTN-HIFRSBDPSA-N 337.441 1.948 0 40 EDAB CC(C)[C@H](C)NC(=O)CSc1nnc(C2CC2)n1CCC(N)=O 36656869 CHFOTXKMOVLZQI-JTQLQIEISA-N 339.465 1.284 0 40 EDAB O=C(NCc1cccnc1-n1cccn1)c1n[nH]c(=O)c2ccccc12 48235638 ALADNXSDMLEFJT-UHFFFAOYSA-N 346.350 1.434 0 40 EDAB CCOCCOC(=O)CNC(=O)c1cccc(Br)c1 11510069 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EDAB Cc1ccc(NC2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1 69485361 XNVRAVBKVKZUCT-UHFFFAOYSA-N 342.443 1.469 0 40 EDAB COC(=O)C(C)(C)N(C)C(=O)c1nc(N2CCCC2)ncc1Cl 65487894 IHAGVXABMZYRSH-UHFFFAOYSA-N 340.811 1.754 0 40 EDAB CC(C)(NC(=O)c1cc(-c2cccnc2)n(-c2ccccc2)n1)C(N)=O 65410412 BBSVLMVJJSTDAM-UHFFFAOYSA-N 349.394 1.928 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(c2cncc(Br)c2)C1 92701008 FDFZXIXYHQZBJI-LLVKDONJSA-N 334.239 1.362 0 40 EDAB COc1cccc(CO[C@H](C)C(=O)N[C@@H]2CCc3nnc(C)n3C2)c1 65589531 XLADYYNEDANQKU-IUODEOHRSA-N 344.415 1.631 0 40 EDAB O=C1COc2ccc(C(=O)NCCc3ccc4c(c3)OCO4)cc2N1 14164875 PSVYAKNGNMCECP-UHFFFAOYSA-N 340.335 1.719 0 40 EDAB Cn1ncc2c(N3CCCN(c4nc5ccccc5[nH]4)CC3)ncnc21 69562352 BSUNXWNPRWWNDS-UHFFFAOYSA-N 348.414 1.956 0 40 EDAB COC(=O)c1ccc(=O)n(Cc2nnc(-c3ccc(OC)cc3)o2)c1 14381669 BSFJIMPGJYLRHO-UHFFFAOYSA-N 341.323 1.742 0 40 EDAB COc1cccc(CNC(=O)Cn2cnc3ccsc3c2=O)c1 14702943 RQQFEGCHGVRFIZ-UHFFFAOYSA-N 329.381 1.783 0 40 EDAB CCOCCN1CCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 69627412 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338.363 1.954 0 40 EDAB CCC[C@](C)(NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)O 89949439 XSQWIDRRLSVITA-DLBZAZTESA-N 347.371 1.114 0 40 EDAB Cc1cc(NC(=O)CN2CC[C@H](N(C)Cc3ncc(C)o3)C2)no1 84119945 LJRZTGFGBCRMJA-ZDUSSCGKSA-N 333.392 1.424 0 40 EDAB CN1C(=O)C[C@@H](CNC(=O)Nc2cnn(C)c2)[C@H]1c1ccccc1 97056355 YKUSYSNMZYWGFR-XJKSGUPXSA-N 327.388 1.761 0 40 EDAB Cc1c(NC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c(=O)n(-c2ccccc2)n1C 71405221 RIMHUWAUHYWZQD-OLZOCXBDSA-N 343.383 1.924 0 40 EDAB NS(=O)(=O)c1cc(-c2nc(-c3ccc(F)c(F)c3)no2)co1 97081190 WFBICPPUIVCUJR-UHFFFAOYSA-N 327.268 1.922 0 40 EDAB CN(C)CCOc1ccccc1C(=O)N[C@@H]1CCc2nccn2C1 72278667 IJQIMZIUCVYFDV-CQSZACIVSA-N 328.416 1.568 0 40 EDAB Cc1nnc(CN2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)n1C 71824825 RIBXWTVTWMHXKI-OAHLLOKOSA-N 341.459 1.962 0 40 EDAB Cc1noc(C)c1C(=O)N1CCN(Cc2nc(C(C)C)no2)CC1 71839654 QOWDCZBRDBZIFZ-UHFFFAOYSA-N 333.392 1.756 0 40 EDAB Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCC[C@@H]1Cn1cccn1 71872033 SWLGASAEBFRSFX-LLVKDONJSA-N 343.416 1.738 0 40 EDAB CN(C(=O)CCOC[C@@H]1CCCO1)[C@H]1CCN(c2ccccc2)C1=O 71896559 JEKWTLSNUBLEAZ-IRXDYDNUSA-N 346.427 1.836 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 71829797 HTFSHPCRZUHQEA-FRRDWIJNSA-N 347.390 1.291 0 40 EDAB CCc1nnc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)n1C 71864043 OQOSKAYDWJLKEL-MRXNPFEDSA-N 329.448 1.229 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nc(C)cs2)c1 89969033 JADFQFKLFJIDJK-UHFFFAOYSA-N 341.458 1.692 0 40 EDAB O=C(c1nccc2ccccc12)N1CCN([C@H]2CCC[C@H]2O)CC1 84598726 VJKLMFPTFCVLIG-DLBZAZTESA-N 325.412 1.906 0 40 EDAB CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cnn(C)c2)C12CCCC2 76019896 DZTCNQWXLFLHDA-UONOGXRCSA-N 327.450 1.778 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)COC(=O)[C@H]3C[C@@H]3C)CC2)cc1 95349099 ZBVOPOHKDUEODU-GUYCJALGSA-N 344.411 1.737 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)ccc1=O 84759109 YTZXHMDIJSRHCQ-CYBMUJFWSA-N 343.387 1.891 0 40 EDAB Cc1cc(NC(=O)C(=O)N[C@@H](C)CCc2cccc(F)c2)n(C)n1 77768477 LJASMCZVXFPRRK-NSHDSACASA-N 332.379 1.944 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CN(C)c1ncnc2[nH]cnc12 95956198 ILWREZDYBBSVDR-SECBINFHSA-N 342.407 1.017 0 40 EDAB CCc1cccc(NC(=O)CN2CCc3nn(C)c(=O)cc3C2)c1 78620972 OFOUAELWPWIORG-UHFFFAOYSA-N 326.400 1.340 0 40 EDAB C[C@@H](C(=O)Nc1ncccn1)N1CCn2c(nnc2-c2ccccc2)C1 78950622 NLYKGRMJNSERHF-ZDUSSCGKSA-N 349.398 1.578 0 40 EDAB COC(=O)CC1(NC(=O)c2ccc(F)cc2F)CCN(C)CC1 79013327 MFIURTPQDBIXQT-UHFFFAOYSA-N 326.343 1.722 0 40 EDAB Cc1cc(C)c(CNC(=O)CN(C)c2ccc(Cl)cn2)c(=O)[nH]1 75122277 RZXUJOQCYSKNDC-UHFFFAOYSA-N 334.807 1.793 0 40 EDAB COCc1cccc(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1 89621418 WKIFYMDBXXVJIX-ZDUSSCGKSA-N 328.434 1.735 0 40 EDAB C[C@@H](CCc1ccccc1)NC(=O)CNCCCN1CCOCC1 21554631 JTYWCPJMOYXGKD-KRWDZBQOSA-N 333.476 1.436 0 40 EDAB COc1ccc2[nH]c3nc(SCCN4CCOCC4)nnc3c2c1 20623363 KJVWKQRGYLNCBK-UHFFFAOYSA-N 345.428 1.939 0 40 EDAB Cc1ccc2cccc(S(=O)(=O)N3CCOC[C@H]3C(=O)O)c2n1 547916151 PVXFLYSBHKVDQJ-LBPRGKRZSA-N 336.369 1.017 0 40 EDAB COc1ccc(Cn2ccc(N[C@@H](C)C(=O)N3CCNC3=O)n2)cc1 187517375 CQUBITASKBMYNQ-LBPRGKRZSA-N 343.387 1.292 0 40 EDAB CC(=O)N(C)Cc1cncc([C@H]2CCCN2c2cc(C)nc(N)n2)n1 72387969 VTZZWTIPXLFFBX-OAHLLOKOSA-N 341.419 1.477 0 40 EDAB Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2nncn2C)c1F 125883243 KIJPKNHWSKSZMV-GFCCVEGCSA-N 331.351 1.565 0 40 EDAB O=C(NCCCc1c[nH]c2ccccc12)NCCN1CCOCC1 78663372 FZBCKXPUQSNYKS-UHFFFAOYSA-N 330.432 1.732 0 40 EDAB Cc1cc(N(C)C)nc([C@]2(C)CCCN2C(=O)c2ccn(C)n2)n1 72388447 TUUNIJDXEWQCJQ-KRWDZBQOSA-N 328.420 1.736 0 40 EDAB NC[C@@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218574378 AMPDDUOBEOSGMI-OWCLPIDISA-N 336.844 1.936 0 40 EDAB CCS(=O)(=O)c1ccccc1N(C)Cc1cnc(N(C)C)nc1 225522631 HKPPSBWCRAXRDN-UHFFFAOYSA-N 334.445 1.973 0 40 EDAB COc1ccc(CC(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1 224253246 JLIBTKYPEFNRNY-UHFFFAOYSA-N 341.415 1.418 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1F 226686586 WDKSKZSMISUHOW-UHFFFAOYSA-N 342.348 1.022 0 40 EDAB CCn1cnnc1NC(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 329134097 ZJXPVWYVBPDWGM-OKILXGFUSA-N 343.431 2.160 0 40 EDAB CN(C)c1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)ccn1 571409774 OHSXJMJNYAMXED-QAPCUYQASA-N 338.411 1.897 0 40 EDAB C[C@H](CS(C)(=O)=O)C(=O)Nc1cnn(-c2ccccc2F)c1 88232701 ZMAZQKXHLOUQNT-SNVBAGLBSA-N 325.365 1.631 0 40 EDAB COCCn1ccc(C(=O)N2CCC(c3nncn3C(C)C)CC2)n1 331986215 XEJWHPSKESNJPA-UHFFFAOYSA-N 346.435 1.722 0 40 EDAB CS(=O)(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3ccncc3)C2)C1 96241250 BAVQRHNBYMQSQU-CABCVRRESA-N 327.425 1.277 0 40 EDAB CN1C(=O)N[C@@]2(CCN(C(=O)NCC(C)(C)C3=CCCC3)C2)C1=O 333904579 UMJFKEONPWTZQA-QGZVFWFLSA-N 334.420 1.459 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)C[C@]2(CNC(=O)C2)C1 96143286 GTWZNDOVCWJYPX-QGZVFWFLSA-N 349.818 1.151 0 40 EDAB O=C(NCC1CC1)[C@H]1CCC2(CCN(S(=O)(=O)C3CC3)CC2)O1 96061215 OGNNVGFBZYVPJZ-CQSZACIVSA-N 342.461 1.018 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2ccccn2)[C@H]1Cc1cccnc1 96070043 MSALIAZBNLMIHP-SJORKVTESA-N 346.456 1.211 0 40 EDAB Cc1ccc2c(O)c(C(=O)N3C[C@H](C)C[C@@H](C(=O)O)C3)cnc2n1 581726405 LTMSHZBMAYIVQM-MWLCHTKSSA-N 329.356 1.827 0 40 EDAB CCOCCN1C[C@@H]2COC[C@H](C(=O)Nc3cccnc3C)[C@@H]2C1 96088992 GDLYJFHYEGYXQY-OAGGEKHMSA-N 333.432 1.559 0 40 EDAB Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)n(C)n1 96413531 HIZAMFCZUQJDAX-SKDRFNHKSA-N 334.326 1.618 0 40 EDAB C[C@H](C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 97097054 RJYAMUZZZPQTOH-NSHDSACASA-N 338.367 1.374 0 40 EDAB CCc1ccc(NC(=O)N(C)C[C@H](O)CN2CCN(C)CC2)cc1 96424064 GKSKUTHJRBBKFP-KRWDZBQOSA-N 334.464 1.321 0 40 EDAB CCN1C[C@H](C(=O)N2CC[C@@H](COCc3ccccc3)C2)CC1=O 96426029 ZPWCVJUSADQNRV-IAGOWNOFSA-N 330.428 1.920 0 40 EDAB COCCNC(=O)CN1CCN(c2nc(C)cc3ccccc23)CC1 96496697 KVSYOSMUDQDIGL-UHFFFAOYSA-N 342.443 1.428 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)N1C[C@H]2CC=CC[C@@H]2C1 96439859 SJVOPUFUNQRCIY-HUUCEWRRSA-N 341.415 1.494 0 40 EDAB O=C(C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@@H]12)N1CCCO1 96207150 UYXKHVULZRANKG-ZACQAIPSSA-N 331.416 1.473 0 40 EDAB O=C(COC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1ccoc1)N1CCCC1 96082848 AEGTVJDZWDFFDG-OKZBNKHCSA-N 348.443 1.898 0 40 EDAB CCO[C@@H]1CCOC2(C1)CN(C(=O)c1cccc3c1OCCO3)C2 248375461 AXEHHLATDDBMHI-CYBMUJFWSA-N 333.384 1.868 0 40 EDAB Cn1nccc1C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 241923266 UELMBDYHBGMHLR-UHFFFAOYSA-N 334.464 1.964 0 40 EDAB COc1ccc(CN2CC3(C[C@H](OCC(=O)N(C)C)CCO3)C2)cc1 248053435 XWBVVOPKRXTGED-QGZVFWFLSA-N 348.443 1.533 0 40 EDAB O=C(CN1[C@H]2CC[C@H]1CC(O)(c1ccccn1)C2)NC[C@H]1CCCO1 247849621 GHPILHUAJPAVBH-HRCADAONSA-N 345.443 1.191 0 40 EDAB O=C(NCCC[C@@H]1CCOC1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 583483311 DCHRQAVMRZHMOG-RBSFLKMASA-N 344.477 1.554 0 40 EDAB CC(C)N1CCN(C(=O)CCOc2cccc(F)c2)C[C@H]1C(N)=O 257248986 JGDPHYQTBLKLFS-HNNXBMFYSA-N 337.395 1.001 0 40 EDAB Cc1ncncc1C(=O)N1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 257307045 SWZNYXLOAIFRDI-SJLPKXTDSA-N 345.374 1.969 0 40 EDAB Cc1cc(-c2nccn2C)nc([C@@H]2CCN(C(=O)CN(C)C)C2)n1 257313148 URFFCUKJGRBEQH-CYBMUJFWSA-N 328.420 1.063 0 40 EDAB Cc1cccc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)n1 257276894 NVOAUYGGKAIKTA-UHFFFAOYSA-N 339.443 1.994 0 40 EDAB Cn1cc(C(=O)N2C[C@H]3CCC[C@H](Cc4ncccn4)[C@H]3C2)cn1 257296834 RENYOCZQAWCDKF-IIAWOOMASA-N 325.416 1.941 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)cn1 257326233 WWKBUWGQDVQBCM-ZIAGYGMSSA-N 325.359 1.306 0 40 EDAB CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H](CO)NC(=O)c1ccccc1 252507627 WPYVOSXLLGXPKW-PMPSAXMXSA-N 348.443 1.345 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccccn2)C1 257207359 BHKDXJKRBPHVLS-LBPRGKRZSA-N 348.428 1.303 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 257309953 UDAUXHOZQKXCGR-HNNXBMFYSA-N 325.434 1.010 0 40 EDAB O=C(c1sc2ncccc2c1[C@@H]1CNCCO1)N1CCOCC1 257276832 NVILQZDWONKRDW-LBPRGKRZSA-N 333.413 1.430 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](CO)Cc2cnn(C)c2)c1 585088031 HMTYTCCHBPERLQ-XJKSGUPXSA-N 345.399 1.110 0 40 EDAB COCCN1C(=O)C[C@@H](C(=O)NC2CCC2)[C@@H]1c1ccccc1OC 257238119 HJRBPSQPMGMTPC-QAPCUYQASA-N 346.427 1.900 0 40 EDAB CCS[C@H]1CCC[C@H]1NC(=O)COCc1ocnc1C(=O)OC 585123504 BKMNMXDYKGHODL-PWSUYJOCSA-N 342.417 1.768 0 40 EDAB 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O=C(CCN1CC[C@@H](c2cc(O)nc(O)n2)C1)Nc1cccc(F)c1 585140666 IAKGPNGXOPNXHB-LLVKDONJSA-N 346.362 1.845 0 40 EDAB Nc1ccc(C(=O)NC[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 585285265 NRYQKLBXILTAQZ-MZMPZRCHSA-N 341.411 2.002 0 40 EDAB Cc1cccc(OC[C@]2(O)CCN(C(=O)Cc3ccccn3)C2)c1 585277855 QFYOZPOTBZEMKG-IBGZPJMESA-N 326.396 1.975 0 40 EDAB OCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3ccccc3)C2)cc1 585267323 XACJYDIZKULTTO-OALUTQOASA-N 329.396 1.682 0 40 EDAB CC[C@@H](C)N1CCC[C@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 585100733 UXAXLPUBSLEUFS-ZBFHGGJFSA-N 330.494 1.677 0 40 EDAB Cn1cc(CN2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)cn1 585112456 QWFORAYOZUDRLE-MRXNPFEDSA-N 342.447 1.480 0 40 EDAB Cc1ccc(-n2nnnc2N2CCN(c3nccs3)CC2)cc1 54055838 OSRALYFOPIJMCH-UHFFFAOYSA-N 327.417 1.754 0 40 EDAB COc1ccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C 67583534 SMVFBLYTUNPXNO-CYBMUJFWSA-N 341.433 1.549 0 40 EDAB Cc1ccc(F)c(-n2nnnc2Cn2cnc3ccsc3c2=O)c1 69454793 WUDOFCPCIHHQPP-UHFFFAOYSA-N 342.359 1.930 0 40 EDAB COc1ccc(CC(=O)Nc2cc([C@H]3N=c4ccc(C)cc4=N3)ccc2C)cc1 97370698 GDTXNPYHWGBUBO-OAHLLOKOSA-N 385.467 3.445 0 40 EDAB Cc1nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc(-n2cccc2)n1 85557440 VIDDAFDPEXCJJK-HNNXBMFYSA-N 341.415 1.403 0 40 EDAB CC(C)NC[C@@H](O)COc1ccc(CNCCn2ccnc2)cc1 1615572223 UNGRMLIIVFCCAH-QGZVFWFLSA-N 332.448 1.411 0 40 EDAB O=C(COC(=O)CN1CCSC1=O)NCCc1ccc(F)cc1 5322516 GBXBDZHXMJKIPG-UHFFFAOYSA-N 340.376 1.196 0 40 EDAB O=C(CN1C(=O)CNC1=O)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19373817 KFPXEJQNGZMIJG-USJZOSNVSA-N 341.411 1.627 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 19659133 OVDSHYBITILYPM-ZDUSSCGKSA-N 340.387 1.156 0 40 EDAB Cc1nc(C)c(C(=O)N2CCO[C@@H](C(=O)NC3CCCC3)C2)s1 19747824 BHFSFPNKVTZYRR-CYBMUJFWSA-N 337.445 1.660 0 40 EDAB CN(C)c1nc(CNC(=O)c2ccsc2)nc(N2CCCCC2)n1 575607503 NYWRWSIHMFMCQV-UHFFFAOYSA-N 346.460 1.919 0 40 EDAB Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)[C@@H]1CCC[C@H](N)C1 582526801 ILGQOTUWQFVLAU-KFWWJZLASA-N 336.505 1.907 0 40 EDAB Cc1nnc(N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)s1 1888875821 HWLLFQJLNOXKBQ-RYUDHWBXSA-N 342.432 1.165 0 40 EDAB COc1ccnc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)n1 1889091583 YLDOTRLDJGPEGX-UHFFFAOYSA-N 341.419 1.202 0 40 EDAB C[C@@H](CNC(=O)c1cccc(Nc2ncccn2)c1)N1CCOCC1 29963886 ZWLOERCXKNGULB-AWEZNQCLSA-N 341.415 1.671 0 40 EDAB COc1ccc2nnc(CNC(=O)c3ccc(Cl)cc3OC)n2n1 238830555 FUQQLXWLHOJQBZ-UHFFFAOYSA-N 347.762 1.725 0 40 EDAB COCCN1CC[C@]2(CCCN(C(=O)C3(F)CCC3)CC2)C1=O 1614947403 JZHSNOZVQJARFJ-MRXNPFEDSA-N 326.412 1.756 0 40 EDAB O=C(NC[C@]1(O)CSCc2ccccc21)C(=O)Nc1ccccc1 2087160235 WRVWXRFXGPMKOH-SFHVURJKSA-N 342.420 1.876 0 40 EDAB Cn1cc(C(=O)N2CCC23CN(C(=O)/C=C/c2cccs2)C3)cn1 1565549915 JDEWAHHTRFHVMI-SNAWJCMRSA-N 342.424 1.622 0 40 EDAB O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NC1CC1 424881 ZRNYPIMSVRTUFP-LBPRGKRZSA-N 328.397 1.413 0 40 EDAB COCCn1ncc2c1COC[C@@H]2CNC(=O)C1CC(F)(F)C1 2055759357 OWCCNHXRMHWEIE-NSHDSACASA-N 329.347 1.305 0 40 EDAB COCCN1CCOC[C@]2(C1)CN(CC1CCCCC1)CCO2 2055816060 MQLGCKYNRMAZKG-SFHVURJKSA-N 326.481 1.616 0 40 EDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)cc(F)c1 10495484 FKXGXFLIKQOBNG-LLVKDONJSA-N 339.385 1.163 0 40 EDAB CN1C[C@H](C(=O)NCCOc2cccc3c2OC(C)(C)C3)CC1=O 40074729 ICRSOHRGODMVQS-CYBMUJFWSA-N 332.400 1.373 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 30671505 FXEGCNQCTXHKHS-CABZTGNLSA-N 344.289 1.489 0 40 EDAB CNc1snc(C)c1C(=O)NC[C@@H](CC(C)C)N1CCOCC1 30603814 GFLONJLSHLHAGK-CYBMUJFWSA-N 340.493 1.970 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc2ncccc2c1 100299765 OXFAUNBEYLXQFP-LUVWLHFXSA-N 347.374 1.980 0 40 EDAB COc1ncccc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 40494444 TZFMTRUHFGFLEC-CQSZACIVSA-N 347.440 1.955 0 40 EDAB COC1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 40477623 VYFPRHDGOSCUHA-UHFFFAOYSA-N 331.416 1.628 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(F)c(Cl)c1 40540034 XLDUKZQWENWDHW-NXEZZACHSA-N 349.811 1.937 0 40 EDAB COc1ccc(CC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1F 40553705 KFWJPRDSHCGPBX-CQSZACIVSA-N 344.390 1.952 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1OC 101189076 LGDQIPFNYNIGLO-GVARAGBVSA-N 339.413 1.561 0 40 EDAB CC[C@H](CNC(=O)c1cc(S(=O)(=O)NC)cn1C)c1ccccc1 29702820 IQTNYRZNTPRVLP-CYBMUJFWSA-N 349.456 1.857 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 32760167 UCTSUMUQNZSENQ-UHFFFAOYSA-N 334.807 1.501 0 40 EDAB Cc1cccc(O[C@@H](C)C(=O)NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102216337 PGONHQPMNUAFCP-AEGPPILISA-N 328.368 1.745 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 6228479 SMZIGJYDYVQQOP-UHFFFAOYSA-N 332.809 1.249 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1cnc2sccn2c1=O 6495561 QZRPUPLBVHRQOD-UHFFFAOYSA-N 329.337 1.415 0 40 EDAB COCCN1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)CC1=O 108529452 UCFHXTVTUBBEFX-UHFFFAOYSA-N 334.416 1.998 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102948520 QCMJUUAKWLBGEL-WGBDABJCSA-N 335.429 1.959 0 40 EDAB COCCN1C(=O)/C(=C(\C)NC2CCCCCC2)C(=O)NC1=S 105209843 GIQQJNYTYBQQQS-ACCUITESSA-N 339.461 1.463 0 40 EDAB CCc1ccccc1NC(=O)[C@@H](CC)Sc1nnc(O)[nH]c1=O 41606186 ZYSNICKQHMRSFD-LLVKDONJSA-N 334.401 1.942 0 40 EDAB O=C(NCCCn1cncn1)c1ccc(Br)cc1F 41862914 KSIRARKTSPHSIE-UHFFFAOYSA-N 327.157 2.000 0 40 EDAB O=C(CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1)NC1CC1 22695131 UUQZITRBJGLLHB-UHFFFAOYSA-N 339.798 1.516 0 40 EDAB Cc1ccsc1C(=O)NCCCN1CCN(c2ncccn2)CC1 23183137 SZJSEAXWDYVHKK-UHFFFAOYSA-N 345.472 1.789 0 40 EDAB CSc1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cn1 100765882 JYKCBCKCFRKIDE-ZIAGYGMSSA-N 345.472 1.947 0 40 EDAB COc1ccc(C)cc1NC(=O)CNC(=O)CCc1cnn(C)c1 55173848 YAUZBUWITRCOQT-UHFFFAOYSA-N 330.388 1.425 0 40 EDAB CC(=O)Nc1nc(CSc2nnc(C(F)(F)F)n2N)cs1 24609467 NAPAONFDKJFXCM-UHFFFAOYSA-N 338.340 1.718 0 40 EDAB Cc1ccnc2nc(C(=O)NCc3cccc(Cn4ccnc4)c3)nn12 24751539 LGERAWJYPKGARH-UHFFFAOYSA-N 347.382 1.608 0 40 EDAB O=C(CNc1ccccc1-n1cncn1)NC(=O)NC1CCCC1 24829815 XYSABNXALVJBBT-UHFFFAOYSA-N 328.376 1.448 0 40 EDAB Cn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccc(F)cc1 24911732 UPBTWDKGAWGLQO-UHFFFAOYSA-N 335.364 1.265 0 40 EDAB O[C@H](CN[C@@H]1CCCN(c2cccnn2)C1)COCc1ccco1 106785490 LBZJMDDGEVBFEF-HUUCEWRRSA-N 332.404 1.206 0 40 EDAB CCn1nc(C)c2c1cnn2CCNS(=O)(=O)c1ccc(C)cc1 57279729 HTLIDVHOHUWDNR-UHFFFAOYSA-N 347.444 1.848 0 40 EDAB Cn1cc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cn1 25309692 RXLVUAVBTGJXJP-UONOGXRCSA-N 348.403 1.341 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc2c1OCCO2 55950795 XSPAFGQCNGZNSV-UHFFFAOYSA-N 337.335 1.876 0 40 EDAB CSCCC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 25845160 HTIPNSJARGZRBJ-UHFFFAOYSA-N 345.472 1.609 0 40 EDAB CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(Cl)sc1Cl 25908357 WAEAQUXZSJDIFG-UHFFFAOYSA-N 343.257 1.954 0 40 EDAB Cc1cccc(C2(C(=O)NCCn3nc4ccccn4c3=O)CC2)c1 57241062 UFRKMIVZDVTZSG-UHFFFAOYSA-N 336.395 1.652 0 40 EDAB C[C@H](OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O 26418877 MFZGBRBBXOVNLG-MFYBUHTGSA-N 348.443 1.611 0 40 EDAB O=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)Nc1ccccc1 28560238 NRLYUCRJTVPDGW-UHFFFAOYSA-N 338.323 1.201 0 40 EDAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2ccccc2F)n1 102015224 DNPPMFYBHFHIRV-XUXIUFHCSA-N 342.330 1.132 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)N(C)C1CC1 57701386 DEZHDSOUDFNMMT-BBRMVZONSA-N 349.500 1.881 0 40 EDAB Cc1ccc(N2CCN(C(=O)c3nn(C)cc3C(=O)O)C[C@H]2C)cc1 20615142 ORMNPOIJDAWREE-CYBMUJFWSA-N 342.399 1.778 0 40 EDAB COC[C@H](C)NC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 27470862 YLBLBPUMLPPZKE-XQLPTFJDSA-N 336.432 1.503 0 40 EDAB O=C(Nc1ccc2c(c1)OCCO2)c1sccc1-n1cnnn1 47902378 LUFGBNIAOZHZDM-UHFFFAOYSA-N 329.341 1.747 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@H]2Cc3ccccc3S2)CC1 58139651 PQQQLXLFOXEPBZ-GOEBONIOSA-N 346.452 1.553 0 40 EDAB CN(C)S(=O)(=O)c1cccc(Cn2cnc3ccsc3c2=O)c1 44891654 KHOJBQXXMYWQJC-UHFFFAOYSA-N 349.437 1.757 0 40 EDAB Cc1nc(NCCNC(=O)c2ccc(F)cc2F)c2cnn(C)c2n1 58278554 FZXGLNIGDOUFDL-UHFFFAOYSA-N 346.341 1.792 0 40 EDAB CCN(CC)S(=O)(=O)NCCC(=O)N(C)Cc1ccccc1 58290791 DKDZQKQPFSHPAP-UHFFFAOYSA-N 327.450 1.211 0 40 EDAB CC(C)c1noc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)n1 44950331 VNRMQENDKNRYAJ-UHFFFAOYSA-N 332.408 1.321 0 40 EDAB CN1CCO[C@H](CNC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 58323375 SNBWJGDOAKDHIZ-OAHLLOKOSA-N 343.383 1.592 0 40 EDAB COC(=O)[C@@H](NC(=O)c1cc[nH]n1)c1ccc(Br)cc1 58325363 TXTANOKFOIDALJ-NSHDSACASA-N 338.161 1.816 0 40 EDAB CS(=O)(=O)CCOc1cccc(N[C@@H](C(N)=O)c2ccccc2)c1 58315205 YEZNRQZQEFNXRO-MRXNPFEDSA-N 348.424 1.749 0 40 EDAB CCn1c(C)cc(C(=O)Cn2nnn(-c3cccs3)c2=O)c1C 10814589 PUROAIKREPTSQN-UHFFFAOYSA-N 331.401 1.812 0 40 EDAB Cc1nccn1Cc1cccc(CNC(=O)[C@H](C)S(C)(=O)=O)c1 48124864 CTEZKDXIICVHFF-LBPRGKRZSA-N 335.429 1.289 0 40 EDAB CN(CCCNC(=O)N[C@@H]1CCc2ccccc21)S(C)(=O)=O 48274199 UVXPMIKCGGXMDC-CQSZACIVSA-N 325.434 1.255 0 40 EDAB CS[C@@H](C)CC(=O)N1CCC(C(=O)Nc2nncs2)CC1 179249311 ARRRPSNOHUMINH-VIFPVBQESA-N 328.463 1.857 0 40 EDAB COc1cc(CN[C@@H](C)C(=O)N2CCCCC2)cc2c1OCCO2 48382355 MIQRPAWQPKXKEX-ZDUSSCGKSA-N 334.416 1.957 0 40 EDAB C[C@@H](CC(=O)NCc1cccc(NC(N)=O)c1)NC(=O)C1CCCC1 69389086 UBSGLTPJKMFZQO-LBPRGKRZSA-N 346.431 1.878 0 40 EDAB CNc1ccc(S(=O)(=O)NC)cc1NC(=O)c1scnc1C 69456437 YAJBHQXFWUWWDL-UHFFFAOYSA-N 340.430 1.654 0 40 EDAB CCS(=O)(=O)c1ccc(C(=O)NC[C@@H](C(C)C)N(C)C)cc1 63809255 RQVGIDCVSIFUEQ-HNNXBMFYSA-N 326.462 1.796 0 40 EDAB COC(=O)CCCCCNC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 13637391 HCBMNPMSRNSBCM-UHFFFAOYSA-N 336.417 1.876 0 40 EDAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 5059356 YHOSTTAIQXRCJA-LBPRGKRZSA-N 326.418 1.614 0 40 EDAB CC(C)(C)c1csc(CCNC(=O)N[C@H]2CCCCNC2=O)n1 69595772 NFWBOIZYVWUSGH-NSHDSACASA-N 338.477 1.951 0 40 EDAB O=c1c2ccccc2nnn1CSc1nnc(-c2cccnc2)o1 6100479 HLJYCLZGVCNXPX-UHFFFAOYSA-N 338.352 1.986 0 40 EDAB CCCn1nnnc1CSc1nncn1-c1ccc(OC)nc1 69973662 ZCIDHFZGGXLUOR-UHFFFAOYSA-N 332.393 1.360 0 40 EDAB Cc1ccc2nc(CN3CCC[C@@H](Cn4cncn4)C3)cc(=O)n2c1 69625131 BPQTVHUDFRKBFQ-OAHLLOKOSA-N 338.415 1.507 0 40 EDAB O=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)Nc1cccnc1 69951183 YHOTXRCYZDXILK-SFHVURJKSA-N 340.427 1.371 0 40 EDAB CN(C)CCNC(=O)c1cc(Cl)c(=O)n(Cc2ccccc2)c1 5207899 XAMFNQAZLSSTBK-UHFFFAOYSA-N 333.819 1.841 0 40 EDAB CC[C@@H](CNC(=O)NCc1nncn1-c1ccccc1)N1CCCC1 65439522 JYRITILDTZCOBJ-HNNXBMFYSA-N 342.447 1.941 0 40 EDAB CNC(=O)[C@H]1CCCN(C(=O)c2cnc(-c3cnn(C)c3)s2)C1 69707387 WNRYMVXGYWCMAW-JTQLQIEISA-N 333.417 1.142 0 40 EDAB CN(Cc1ccc(OCC(=O)NC(C)(C)C)cc1)S(C)(=O)=O 408702415 FRYCKEWOMFFVSZ-UHFFFAOYSA-N 328.434 1.372 0 40 EDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65924949 OAHYFKTXMQDMHU-MMFDQKDXSA-N 343.514 1.944 0 40 EDAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)N1CCOCC1 8710949 HJRRLUXAPREMIC-GFCCVEGCSA-N 348.428 1.615 0 40 EDAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1cnnn1 14596212 LVWGCUBELPJRCL-UHFFFAOYSA-N 345.281 1.356 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 4940582 VQDXXXWLBHWUBS-VXGBXAGGSA-N 336.413 1.621 0 40 EDAB CC(C)c1ccc(O[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 15394775 MUEALQBWGUXNOP-JSGCOSHPSA-N 325.430 1.881 0 40 EDAB COc1ccsc1S(=O)(=O)N[C@H]1CCc2nc(C)cn2C1 90168006 RKUVQDHTKSDNIU-JTQLQIEISA-N 327.431 1.555 0 40 EDAB CN1CC[C@H](COCC2CC2)CC12CN(C(=O)Cc1ccccn1)C2 306124566 BTQMNKTZNOZLKR-KRWDZBQOSA-N 343.471 1.974 0 40 EDAB Cc1nc(SCc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)sc1C 96009501 KPQZVQBCMIAAMH-UHFFFAOYSA-N 337.430 1.326 0 40 EDAB CCCCO[C@@H](C)C(=O)N1CCC2(CC1)CC(C(=O)OC)=NO2 96011937 HPDZSTCZFHLGAR-LBPRGKRZSA-N 326.393 1.502 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(F)cc1Cl 9366669 QKMYJENITGFUGZ-YFKPBYRVSA-N 342.787 1.948 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@H](Oc2cccnc2)C1 97015786 QIXPUKVENQRADN-HNNXBMFYSA-N 346.408 1.859 0 40 EDAB COC(=O)CCN(C)C(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C 71880160 CCIFFRQESFVSKL-NSHDSACASA-N 330.450 1.346 0 40 EDAB CC(C)[C@H]1CCCN1CC(=O)NCc1ccc(OCC(N)=O)cc1 71828288 IZZJJLLQVSVBLX-MRXNPFEDSA-N 333.432 1.287 0 40 EDAB O=C(c1ccc(N2CCOCC2)nc1)N1CCN2CCCC[C@@H]2C1 71839850 LTEFZWIFFFZRGZ-MRXNPFEDSA-N 330.432 1.229 0 40 EDAB Cc1cn2cc(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)ccc2n1 71867351 YECVGCZOEYUBTM-GFCCVEGCSA-N 339.442 1.502 0 40 EDAB COCCn1ccc2cc(NC(=O)NCCN3CCOCC3)ccc21 71803396 CSQFIOGZWKLKNP-UHFFFAOYSA-N 346.431 1.741 0 40 EDAB NC(=O)CN1CCCN(C(=O)c2sccc2Br)CC1 71829278 OSCOWHNVGGJXQU-UHFFFAOYSA-N 346.250 1.144 0 40 EDAB Cn1cc([C@H]2CN(S(=O)(=O)Cc3ccccc3F)CCO2)cn1 97012764 NEXWVQSSUUOVAD-OAHLLOKOSA-N 339.392 1.463 0 40 EDAB COCCOCCOC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C 71913762 FDMVJXFDHDTHRG-NSHDSACASA-N 335.422 1.503 0 40 EDAB Cc1noc(CNC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2=O)n1 71909616 YQKBSGPJWXMHRE-CYBMUJFWSA-N 347.350 1.512 0 40 EDAB O=C(OCC(=O)N1CCNC1=O)c1ccc(Br)s1 9606109 LNLWTFNLIIINIB-UHFFFAOYSA-N 333.163 1.219 0 40 EDAB Cc1cc(C)n(CCC(=O)N2CCC[C@H](n3nc(C)nc3C)C2)n1 72235364 ADCIGTBZKJHMCX-INIZCTEOSA-N 330.436 1.962 0 40 EDAB CCN(CCCNC(=O)c1cc(Cl)ccc1O)S(C)(=O)=O 72005815 SGMQHKQYEJUKDU-UHFFFAOYSA-N 334.825 1.447 0 40 EDAB Cc1nnc(CNC(=O)[C@@H](NC(=O)CC(C)C)c2ccccc2)n1C 72281831 KSJXNKWXUQLYBU-KRWDZBQOSA-N 343.431 1.643 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1cn(C)nc1C(F)(F)F)CC2 97199142 QHWOFFDDQPPEAI-QMMMGPOBSA-N 342.325 1.338 0 40 EDAB O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CCN(CCO)CC1 97136128 SZEXLEGLPGNQDJ-CQSZACIVSA-N 345.365 1.480 0 40 EDAB O=S1(=O)CCN(C2CCN(Cc3c(F)cccc3F)CC2)CC1 97147472 WQMMDRILSRZQDG-UHFFFAOYSA-N 344.427 1.660 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCC(N3CCN(C)C3=O)CC2)on1 75604105 RKCWZIMHDMLNRL-LBPRGKRZSA-N 335.408 1.142 0 40 EDAB Cn1ncc(C(=O)OCC(=O)N2CCSc3ccccc32)c1N 72314189 NMDXWDFSRDWRMY-UHFFFAOYSA-N 332.385 1.298 0 40 EDAB Cc1ccc(C)c([C@@H](O)CN2CCC[C@H](N(C)S(C)(=O)=O)C2)c1 75768225 HAQYTPOMKDWXQU-RDJZCZTQSA-N 340.489 1.693 0 40 EDAB O=C(c1nccn2ccnc12)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 110660827 FSYAADNGAMIQOG-SOUVJXGZSA-N 325.416 1.676 0 40 EDAB O=C(Cc1noc([C@H]2CC(=O)N(CC3CC3)C2)n1)NC1CCCCC1 84543967 OMPFGNKTEUTLOK-ZDUSSCGKSA-N 346.431 1.787 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCC(c2n[nH]c(C)n2)CC1 95381618 QEIBAMUASOUERZ-UHFFFAOYSA-N 336.417 1.690 0 40 EDAB CC(C)c1n[nH]c(NC(=O)Cn2nc(-c3cccs3)ccc2=O)n1 95472254 STFHRIICERNAOR-UHFFFAOYSA-N 344.400 1.852 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)NC[C@H](O)Cc1ccccc1 95432981 RQWOIJSSIVNLNZ-MRXNPFEDSA-N 326.462 1.689 0 40 EDAB Cc1ncc(C(=O)NCC(=O)Nc2cccnc2)n1-c1ccccc1 95402770 RIGXJFCOVBKNAT-UHFFFAOYSA-N 335.367 1.944 0 40 EDAB CS[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccs2)C[C@@H]1N(C)C 95444682 YWZPVYZAAANHRA-NTZNESFSSA-N 341.502 1.370 0 40 EDAB CCC(=O)N1CC[C@@H](NCc2cnc(N3CCCC3)nc2)[C@H](C)C1 78897585 IBCKPAYESORTAC-GDBMZVCRSA-N 331.464 1.813 0 40 EDAB C[C@@H](CNC(=O)N1CCCC[C@@H]1CN1CCOCC1)Cn1cccn1 73815068 WENZKLHJGLKIEA-DLBZAZTESA-N 349.479 1.416 0 40 EDAB Cc1oc(C(=O)N2CCC[C@H]2c2cccn2C)cc1S(N)(=O)=O 88574368 TWUPPPUMJAMSGA-LBPRGKRZSA-N 337.401 1.551 0 40 EDAB CN(C)CCN(C)C(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 95987636 JUWLABPRQUQVAO-LSDHHAIUSA-N 327.375 1.998 0 40 EDAB CCc1cnc(CN(C(C)=O)[C@H]2CCN(Cc3nccn3C)C2)o1 89289611 SUHWOGMYYHTTKV-AWEZNQCLSA-N 331.420 1.594 0 40 EDAB CCN1CCCC[C@@H]1CNC(=O)NCc1csc(N(C)C)n1 75092059 VZVBUCNICOKQSK-CYBMUJFWSA-N 325.482 1.883 0 40 EDAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCN2CCCC[C@H]2C1 75125619 UDGURGVIGAECES-ZDUSSCGKSA-N 327.384 1.945 0 40 EDAB COc1ccc([C@@H](CNC(=O)c2ccc(C)[nH]c2=O)N(C)C)cc1 75118340 OUZDEOVLCOJUOL-MRXNPFEDSA-N 329.400 1.725 0 40 EDAB Cc1cnc(CN2CCC[C@@H]([C@@]3(C)NC(=O)N(C(C)C)C3=O)C2)cn1 89702252 MKZVPOPAHNQQEN-RDTXWAMCSA-N 345.447 1.716 0 40 EDAB COc1cc([C@H]2NCCC(=O)N2)cc(I)c1O 408737865 PETLCRJYZFAJRR-NSHDSACASA-N 348.140 1.114 0 40 EDAB Cc1ccccc1CN1CCC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1007565385 ZWOIVAHOXMQPFR-IAGOWNOFSA-N 329.444 1.744 0 40 EDAB Cc1noc([C@@H](NC(=O)NC[C@H]2CCCN2C)C2CCOCC2)n1 548012785 UNDGPPRRVKZUJS-KGLIPLIRSA-N 337.424 1.239 0 40 EDAB O=C(Cc1cscn1)N1CCN(C(=O)c2ccccc2F)CC1 1009940675 QVLOKRGFKGPBGM-UHFFFAOYSA-N 333.388 1.809 0 40 EDAB CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)c2cccc3c2CCC3)C1 515189331 MUWTVRDNFCQZRF-CJNGLKHVSA-N 326.400 1.906 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218047781 OOZWHILKDKLSDA-SOLBZPMBSA-N 345.420 1.964 0 40 EDAB C[C@H]1CC=CC[C@@H]1COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 71860622 DPCVJLRPCHPZFT-NWDGAFQWSA-N 343.383 1.391 0 40 EDAB CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H](C)c2ccccc2)nn1 1032706233 IDFGZYPZNGDTCF-BPUTZDHNSA-N 325.416 1.958 0 40 EDAB Cn1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cc2cc(Cl)ccc21 79485155 BCZHSXKVZGQKEC-NSHDSACASA-N 326.805 1.749 0 40 EDAB C[C@@H](NC(=O)N1CCO[C@@H](Cc2ccccc2)C1)c1nncn1C 182718435 GVDNFOFIQRDSFF-HIFRSBDPSA-N 329.404 1.529 0 40 EDAB COc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CCCc2occc21 1565522975 DGHHHVHOQNJIPB-SFHVURJKSA-N 344.367 1.567 0 40 EDAB CN(C)CCCN[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O 36739957 UGHIQUDFPJDMOM-IAGOWNOFSA-N 327.419 1.441 0 40 EDAB Cc1nc(Nc2nncs2)cc([C@@H]2CCCN2C(=O)CN(C)C)n1 72360389 VOUBEMSXGMSCAX-LBPRGKRZSA-N 347.448 1.605 0 40 EDAB Cc1nc(CCC(=O)O)cc(C2CCN(c3cnccn3)CC2)n1 72367032 JNCLZJKOOJDAPF-UHFFFAOYSA-N 327.388 1.976 0 40 EDAB Cc1ccc(CS(=O)(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1 562993615 KNPKOTBVAKCVQV-HNNXBMFYSA-N 341.429 1.542 0 40 EDAB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc[nH]c1=O 44225997 MKJKXLMMKRHAME-QWRGUYRKSA-N 335.385 1.111 0 40 EDAB COc1ccc(OCc2cn(CC(=O)Nc3cccnc3)nn2)cc1 227167740 LMVODRWGSCTWMJ-UHFFFAOYSA-N 339.355 1.899 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)CC1 226749432 FERQVTDZILUPEJ-QGZVFWFLSA-N 333.363 1.400 0 40 EDAB CCOc1cc2c(cc1CN[C@@H]1CCS(=O)(=O)C1)O[C@H](C)C2 61002679 HGICHLNNLIHCSW-BXUZGUMPSA-N 325.430 1.685 0 40 EDAB COc1ccc(-n2nnc(C(=O)NCc3ccc(F)cc3F)n2)cc1 75163505 DLVPWHZDAZFXFB-UHFFFAOYSA-N 345.309 1.879 0 40 EDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc(F)cc1 224358728 LQPDSARUYGYSJJ-UHFFFAOYSA-N 345.378 1.771 0 40 EDAB Cc1cc(C)c(CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)c(=O)[nH]1 96453270 ADMFUUXIWGKPAR-UHFFFAOYSA-N 342.403 1.792 0 40 EDAB O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1cccnc1 95473430 QYVNUTSWZBRTGQ-HNNXBMFYSA-N 338.367 1.778 0 40 EDAB CS(=O)(=O)N1CCOC[C@@H]1c1nccc(NCc2ccco2)n1 96218061 XFGKKLKTKPZIFJ-GFCCVEGCSA-N 338.389 1.015 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCN(c3cnccn3)C2)CC1=O 96239392 QHISYOJXPCVUSN-QGZVFWFLSA-N 327.388 1.710 0 40 EDAB COc1ncccc1CN1CC[C@H]2C[C@@H](C(=O)NCC3CC3)O[C@H]2C1 96065463 LHWOYBORJQMYAT-XIRDDKMYSA-N 345.443 1.596 0 40 EDAB COc1cc2c(cc1OC)CN(CCC(=O)N1CCN(C)CC1)CC2 96232360 JZQRQVIEFXIUDO-UHFFFAOYSA-N 347.459 1.226 0 40 EDAB CO[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)C1 583651913 VIPGEMWUUYJORQ-CYBMUJFWSA-N 336.413 1.636 0 40 EDAB O=C(NC[C@H](O)Cn1ccccc1=O)c1cccc(C(F)(F)F)c1 96124352 YJHZSMJELUHDFM-ZDUSSCGKSA-N 340.301 1.658 0 40 EDAB Cc1nnc(N2CC[C@H]3O[C@H](C(=O)NCc4ccco4)CC[C@H]32)s1 96065340 NVUFSSCSMSIGHA-MCIONIFRSA-N 348.428 1.882 0 40 EDAB COC[C@H]1CN(C(=O)c2cncc(C)c2)Cc2nnn(CC3CC3)c21 96045585 MTBHNBPAJKEEML-OAHLLOKOSA-N 341.415 1.778 0 40 EDAB O=C([C@H]1CCC2(CCN(Cc3nccs3)CC2)O1)N1CCCO1 96215536 VCZQAWAHJPDLKI-CYBMUJFWSA-N 337.445 1.821 0 40 EDAB Cc1cccc(COC[C@@H]2CN(S(C)(=O)=O)Cc3cncn32)n1 247877165 PACPGIXIHUNXNP-HNNXBMFYSA-N 336.417 1.120 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)NCCCCO)C1 585091108 YEUYBQYVCBKODL-CXAGYDPISA-N 326.437 1.912 0 40 EDAB O=C(N[C@H]1CCN(C(=O)COc2ccccc2)C1)[C@@H]1CCCOC1 252502834 UULGPUNRIAOYIW-CABCVRRESA-N 332.400 1.209 0 40 EDAB COC(=O)c1ccc(NC(=O)CSC[C@H]2CCCCO2)c(O)n1 585124576 IDSIBYGLQQNIHT-SNVBAGLBSA-N 340.401 1.815 0 40 EDAB Cc1nc(CC(=O)N2CCOC[C@H](Cc3cc(O)ncn3)C2)cs1 257320033 VVBHZCFWCREHRK-GFCCVEGCSA-N 348.428 1.207 0 40 EDAB Nc1nc(N)c2c(n1)O[C@]1(CCCN(Cc3ccncc3)CC1)C2 257200606 AEAIMMXWLVLXRR-KRWDZBQOSA-N 326.404 1.396 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CCC[C@H](c2ccnc(O)n2)C1 257233780 GQSCIODPQJEVLI-NSHDSACASA-N 337.376 1.890 0 40 EDAB CC(=O)N1CCC(C(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)CC1 257342042 ZMVGVNGVUSDVPY-KRWDZBQOSA-N 344.459 1.767 0 40 EDAB Cc1cnc2c(S(=O)(=O)NCCCN3CCOCC3)cccc2c1 42623268 HSIRDDJGAHFJQJ-UHFFFAOYSA-N 349.456 1.544 0 40 EDAB COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1sccc1C)C2 253598207 BOOMQACKUKIVGT-NSHDSACASA-N 329.443 1.332 0 40 EDAB O=C(COc1cccnc1)N1CCC(c2ccn3nccc3n2)CC1 257256849 KNDHQXYIGKCEAL-UHFFFAOYSA-N 337.383 1.909 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)c2cccc(O)n2)CCN1C 257334929 YHXJWNYMCPVZRX-HNNXBMFYSA-N 327.384 1.925 0 40 EDAB CCc1nnsc1C(=O)N1CCOC[C@H](Cc2cc(C)ncn2)C1 257314661 UXYNBYLOGREWRS-GFCCVEGCSA-N 347.444 1.530 0 40 EDAB Cc1ccc2c(CC(=O)N3CCN(C)C[C@@H](C(N)=O)C3)coc2c1 257214405 CLVWOGCJKAINRL-CQSZACIVSA-N 329.400 1.159 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCO[C@H](Cc3ccc(F)cc3)C2)c1 257205914 BBBCDNJTAFVJSJ-CQSZACIVSA-N 339.392 1.191 0 40 EDAB CN(CC(=O)O)S(=O)(=O)Cc1ccc(Br)c(F)c1 263124694 HBOLPPBZKSXVDC-UHFFFAOYSA-N 340.170 1.434 0 40 EDAB CCCC(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)O)[C@@H]2CCCOC2)C1 262753447 JOGDJIYQKZKIOE-GZBFAFLISA-N 340.420 1.021 0 40 EDAB C[C@H](CO)N(C)S(=O)(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 1615585287 AKTMTDNYFQXRKQ-WQAKAFBOSA-N 348.262 1.947 0 40 EDAB CNC(=O)NCC(=O)N1CCN(c2ccc(F)cc2F)CC[C@@H]1C 1616037542 JQTRIFPSLGTWFF-NSHDSACASA-N 340.374 1.321 0 40 EDAB Cc1cn2nnc(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)c2c(O)n1 1616037068 BAWXVJVVGHPGQZ-RXGFPQBGSA-N 327.388 1.693 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@H]2NCCC1CC(O)C1 1616036238 QXZIDULTAHNSEQ-HNFMNYKYSA-N 340.464 1.906 0 40 EDAB CC(C)OC(=O)N1CC[C@@H](S(=O)(=O)c2cccc(C(N)=O)c2)C1 390822806 KHQPCALQMWLFOP-CYBMUJFWSA-N 340.401 1.179 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)C2CCOCC2)CCO1 585279382 YQFLNCGPSHRXRK-IBGZPJMESA-N 333.428 1.554 0 40 EDAB COC[C@@H]1CCn2cncc2CN1C(=O)c1cccc2c1OCCO2 585096802 CQDBVURKPSUFMM-ZDUSSCGKSA-N 343.383 1.715 0 40 EDAB CC(C)(C(=O)N1CC[C@](O)(COc2ccc(F)cc2)C1)n1cncn1 585276141 KFHUCZUPHGNLQT-QGZVFWFLSA-N 348.378 1.195 0 40 EDAB Cn1cc(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)cn1 585268991 GSKJRXDSTVSJPX-QGZVFWFLSA-N 335.379 1.202 0 40 EDAB C[C@H](Nc1ncc(Br)cn1)C(=O)N1CCSCC1 67372248 BZLGJKRWQOLHRX-QMMMGPOBSA-N 331.239 1.615 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCCN(c2nc3ccccc3[nH]2)CC1 67733770 SUAFEIHMCAVICG-UHFFFAOYSA-N 337.383 1.604 0 40 EDAB Cc1cccc(OCCC(=O)N2CCCN(CC(N)=O)CC2)c1C 69532742 LQUHBGUGJKSNQD-UHFFFAOYSA-N 333.432 1.092 0 40 EDAB COc1ccccc1C/C(C)=C/C(=O)N1CCCN(CC(N)=O)CC1 69869608 DPODNVGXDJLNJR-FYWRMAATSA-N 345.443 1.204 0 40 EDAB Cc1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)[nH]c2c1C(=O)CCC2 64334038 SPJXWVGDSZNPKP-STQMWFEESA-N 331.416 1.435 0 40 EDAB Cc1nc(NC(=O)NCCCN2CCC(C(N)=O)CC2)sc1C 71831257 QGSGXAXZFNKZHI-UHFFFAOYSA-N 339.465 1.469 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(N3CCC[C@H]3CO)CC2)cc1 96099765 UROYKQIWLLPLCD-INIZCTEOSA-N 338.473 1.605 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCc2cccc(F)c2)[C@@H]1c1cnn(C)c1 79359240 XECANHAETOJLQZ-WBVHZDCISA-N 344.390 1.785 0 40 EDAB Cc1cccc(NC[C@@H]2CCN(Cc3cc(=O)n4nccc4[nH]3)C2)n1 108858387 HPDRKQINRPDCNZ-AWEZNQCLSA-N 338.415 1.660 0 40 EDAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(C(=O)O)cc2)C1=O 1167335 JNTCUITZVXIQTD-XFFZJAGNSA-N 335.337 1.984 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@H](c2ccc(F)c(F)c2)N1 12113429 NLDPFUAVMTZLOR-BONVTDFDSA-N 349.337 1.594 0 40 EDAB O=S1(=O)NC2(CCN(Cc3ccncc3)CC2)Nc2ccccc21 12142380 HKMGCBOZYGMREH-UHFFFAOYSA-N 344.440 1.778 0 40 EDAB Cc1ccc(OCC(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 17066720 KHYJKLJMORFTRO-VZAMPYOESA-N 326.352 1.212 0 40 EDAB Cc1noc(C)c1C(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 19580003 HRNOBIJHEXHFGF-ZDUSSCGKSA-N 341.415 1.747 0 40 EDAB CC(C)(C)C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1 35313259 JGGRDXJWGYUJLT-UHFFFAOYSA-N 334.468 1.915 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(OC(F)F)cc1 35898137 NYHRDAWQJHASMR-RHYQMDGZSA-N 325.267 1.881 0 40 EDAB CC1(C)Oc2ccc(C(=O)c3ccco3)cc2N(CC(N)=O)C1=O 12220913 XLFREWYGOJSSCL-UHFFFAOYSA-N 328.324 1.500 0 40 EDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cnn(C)c1C 13296875 MNHRJKBLVNRJMF-UHFFFAOYSA-N 331.328 1.311 0 40 EDAB CCc1nc(N2C[C@H]3CN(C(=O)[C@H]4CC4(C)C)C[C@H]3C2)nc(O)c1F 1888850314 OQUVETIVVBCNDC-GRYCIOLGSA-N 348.422 1.824 0 40 EDAB Cc1nnc(N2CC(NC(=O)COc3ccc(Cl)cc3)C2)s1 1888860006 MFQOKFAPGYELNZ-UHFFFAOYSA-N 338.820 1.884 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)NC(C)C)C[C@H]4C3)n1)CCC2 1888863554 PFPFIWULKNMDGE-ZIAGYGMSSA-N 329.448 1.760 0 40 EDAB Cc1csc2c(N3CCO[C@@H](C(=O)N4CCOCC4)C3)ncnc12 1889119518 HPRZPWPFKGNKCC-GFCCVEGCSA-N 348.428 1.064 0 40 EDAB CCN=c1nc(N2CCN(c3nccn4nccc34)CC2)cc(C)[nH]1 1889139205 RFBDUIFKZWIIES-UHFFFAOYSA-N 338.419 1.008 0 40 EDAB Cc1nccc(C(=O)N2CCC(O)(COc3ccccc3)CC2)n1 2037909137 XVFBZRBLLLCQLJ-UHFFFAOYSA-N 327.384 1.831 0 40 EDAB COc1ccc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)c(OC)c1 2037983890 JZVGSXDFTVMLHP-IBGZPJMESA-N 348.443 1.917 0 40 EDAB CCOc1ccc2nnc(CNC(=O)/C=C\c3cccs3)n2n1 252478298 AIYAANJOIIGVNN-ALCCZGGFSA-N 329.385 1.914 0 40 EDAB O=C(NC1CCCCC1)[C@@H]1C[C@]2(CO1)CN(Cc1cnc[nH]1)CCO2 2056225951 GBCJEUNZAQWSQT-FUHWJXTLSA-N 348.447 1.219 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cccnc5)C[C@H]4C3)n1)CCC2 2086964094 NIAKURBDNXUNEW-IYBDPMFKSA-N 349.438 1.877 0 40 EDAB CCC(CC)CN1CCC[C@]2(C1)CN(CCS(C)(=O)=O)C2=O 1565542233 KITZVLNAWPOGHZ-INIZCTEOSA-N 330.494 1.392 0 40 EDAB CC(=O)N1N=C(C)C[C@]12CC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]12 1565556374 FMSFKMSFTWIAPQ-BQFCYCMXSA-N 334.464 1.562 0 40 EDAB CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1C 426938 USGDJACKAHPFFU-UHFFFAOYSA-N 340.430 1.462 0 40 EDAB CNC(=O)C1CCN(CC(=O)Nc2ccc(OC)cc2OC)CC1 9071215 OAJJFLQBGIBUMW-UHFFFAOYSA-N 335.404 1.100 0 40 EDAB Cc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)n(C)n1 9122532 PBEIYMWKRJFBRE-UHFFFAOYSA-N 341.327 1.802 0 40 EDAB CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)no3)c2C(N)=O)C1 11027352 VYAOIMRKBSSYKI-UHFFFAOYSA-N 348.384 1.300 0 40 EDAB O=C(NCCNC(=O)c1nc(-c2cccs2)no1)c1cccnc1 12374800 WIYYVKYFACLYEK-UHFFFAOYSA-N 343.368 1.353 0 40 EDAB COc1ccccc1NC(=O)C(=O)NCC1CCN(C(C)C)CC1 12441413 PRZOSJHVQMVXIZ-UHFFFAOYSA-N 333.432 1.870 0 40 EDAB O=C(NCC1CCC1)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055713601 MRSDFLUDFLTBHZ-AWEZNQCLSA-N 330.432 1.502 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)c1cccn1C 75155126 BZUUEVODKRFVEI-GFCCVEGCSA-N 344.820 1.699 0 40 EDAB Cn1c(=O)/c(=C/c2cccc(F)c2)s/c1=C\C(=O)c1ccco1 40058061 MMCYZXIALLLKDX-VULZFCBJSA-N 329.352 1.671 0 40 EDAB CC(C)CNC(=O)CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1 50053933 DCARWBFDWDNDDP-UHFFFAOYSA-N 346.431 1.816 0 40 EDAB CC(=O)N[C@@H](C(=O)Nc1ccc(-n2cccn2)nc1)C1CCCC1 40494232 HGUOLGRVWKZIDM-MRXNPFEDSA-N 327.388 1.901 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)Cc2c(C)nn(C)c2C)c1 31332827 ODEFFKJNUVQMIY-MRXNPFEDSA-N 347.415 1.446 0 40 EDAB Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)on1 40535782 CQKWMBPREYRUEA-BETUJISGSA-N 330.388 1.922 0 40 EDAB Cc1nc2ccccc2c(=O)n1CCCC(=O)NC[C@H]1CCCO1 40505818 WLLGTKSPQFEZHU-CQSZACIVSA-N 329.400 1.780 0 40 EDAB CN(C)c1cc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)ccn1 40512586 JCJFVXYBAIOMKR-UHFFFAOYSA-N 333.413 1.481 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)NCCc1cccc(Cl)c1 51241682 SIBQNRJKDBHIAD-UHFFFAOYSA-N 347.868 1.511 0 40 EDAB CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H]1CCCO1 69417784 WQFJGAUDJVVFKE-ZIAGYGMSSA-N 330.392 1.148 0 40 EDAB Cc1ccc(C(=O)N/C=C(/C(N)=O)S(=O)(=O)c2ccccc2)cc1 101514154 NZHPATDYNZBNTG-PTNGSMBKSA-N 344.392 1.525 0 40 EDAB O=C(Nc1ccc(F)cc1)N[C@H]1CCN(c2ncnc3[nH]ncc23)C1 69419255 LVPPMFBBDYBPFE-LBPRGKRZSA-N 341.350 1.892 0 40 EDAB OCCNc1nc2ccccc2n1C[C@H](O)COCc1ccco1 46342299 PXRUYLCBFDFXFG-ZDUSSCGKSA-N 331.372 1.611 0 40 EDAB C[C@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)N1CCCC1 2652212 SHPINKMEALLVPO-NSHDSACASA-N 329.356 1.101 0 40 EDAB COCCNC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52268129 LZVDEQDUPVRDQG-UHFFFAOYSA-N 343.786 1.593 0 40 EDAB Cn1cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1C(N)=O 102169166 IQFSOSMNVSXVAP-CKUKBARFSA-N 339.461 1.617 0 40 EDAB Cc1cc(C)n(Cn2ccc(-c3nc4c5cnn(C)c5ncn4n3)n2)n1 2802824 HQMWEGKZINFUAK-UHFFFAOYSA-N 348.374 1.194 0 40 EDAB CCCCNC(=O)CSc1nnc(-c2ccncc2)n1CCOC 6648583 FZSYXPBGWDHQJZ-UHFFFAOYSA-N 349.460 1.995 0 40 EDAB CC(C)CC(=O)N1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 32909381 HCNIFTVPTDGLGB-UHFFFAOYSA-N 349.450 1.675 0 40 EDAB CCc1n[nH]c(=S)n1NCc1ccc(OCC(N)=O)c(OC)c1 8339118 JVGYOOREILIBGD-UHFFFAOYSA-N 337.405 1.119 0 40 EDAB CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1Br 77832517 CIQJLBSYAZHCFM-CYBMUJFWSA-N 329.194 1.665 0 40 EDAB Cn1c(S[C@H]2CCOC2=O)nnc1[C@H]1COc2ccccc2O1 21958485 PLXVHTHKIBBCBB-NEPJUHHUSA-N 333.369 1.735 0 40 EDAB CC1CCN([C@H](C)CNC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 78497729 LCYGMSPATCDXRX-GFCCVEGCSA-N 329.400 1.420 0 40 EDAB O=C(CNCc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 57541660 LZMQJTGXLQAFDQ-UHFFFAOYSA-N 342.351 1.550 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cnc2c(cnn2C(C)C)c1 33212766 YFLHZQQRIZQSKW-CQSZACIVSA-N 329.404 1.753 0 40 EDAB O=C(c1cncn1-c1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 22025303 CNWYHEAOMAWROA-QGZVFWFLSA-N 340.427 1.809 0 40 EDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NC2CCCC2)cc1 20245471 UGMUROTZSCRXRA-UHFFFAOYSA-N 325.434 1.602 0 40 EDAB COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccn2)cc1 796450 OXJCTVSBXXMKOU-UHFFFAOYSA-N 341.396 1.915 0 40 EDAB C[C@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C[C@H]1N(C)C 78895779 JGBHVUAODSGVAR-BLLLJJGKSA-N 331.416 1.359 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 104680596 OMJFHFLKMDAVMQ-IJEWVQPXSA-N 343.427 1.939 0 40 EDAB CC(C)COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 101939687 DEWNEODYXYEWOS-JTOWHCCKSA-N 331.368 1.761 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)c1cccnc1N1CCCC1 42749411 QJXXSMOIYQHHNO-UHFFFAOYSA-N 326.404 1.492 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cnc3c(c2)c(C)nn3C)no1 24199620 DOMKKKXHMUVPJO-SNVBAGLBSA-N 343.343 1.757 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)CSc3nnnn3C3CC3)cc12 24465043 GBHNJTBWNLFAEC-UHFFFAOYSA-N 344.404 1.329 0 40 EDAB C[C@@H](COc1ccc(F)cc1F)NC(=O)NCCN1CCOCC1 55088181 HEQZBYATZZHFGZ-LBPRGKRZSA-N 343.374 1.364 0 40 EDAB O=C(NCc1cc(F)cc(F)c1)C1=NN(c2ccccc2)C(=O)CN1 24772828 PSSROAJBDILEMI-UHFFFAOYSA-N 344.321 1.531 0 40 EDAB Cc1ccc([C@H](C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)o1 43720081 YHEASKRZFDEDCA-NSHDSACASA-N 329.422 1.372 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)CN(C)C2CCCCC2)c2ccccc2O1 10035419 XUXXDHBEMZPWKX-KRWDZBQOSA-N 345.443 1.791 0 40 EDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccn(C)n2)C1=O 44872988 KTJAYPLWMOIJDP-KRWDZBQOSA-N 341.371 1.216 0 40 EDAB Cc1ccc(C)c([C@H](C)NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 10230355 PRRDJWRHPAMQQE-ZDUSSCGKSA-N 339.399 1.624 0 40 EDAB Cc1cc(-c2nc3ccccc3n2C)c(=O)n(CCS(C)(=O)=O)n1 58213799 FMOZZVJRPMPBSA-UHFFFAOYSA-N 346.412 1.150 0 40 EDAB CN(Cc1ccncc1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 44971744 RQAHWINBYSMJHM-HNNXBMFYSA-N 326.404 1.682 0 40 EDAB CNC(=O)[C@@H](C)NC(=O)c1cnc(SC)n1-c1ccc(F)cc1 44979577 OKUBSJLLAYNUNT-SECBINFHSA-N 336.392 1.598 0 40 EDAB COCCn1nc(C(=O)N[C@H](C)Cc2cccc(Cl)c2)ccc1=O 44942146 WJSLUBQCXRZDSN-GFCCVEGCSA-N 349.818 1.904 0 40 EDAB NC(=O)c1ccc(COC(=O)c2ccc(N3CCOCC3)cc2)cc1 58385277 ZGVDAHRYNZSBEY-UHFFFAOYSA-N 340.379 1.979 0 40 EDAB CCNC(=O)CN1CCN(Cc2coc(-c3ccccc3)n2)CC1 58358063 BGZQRXBWUFRWQK-UHFFFAOYSA-N 328.416 1.595 0 40 EDAB O=C(Cn1nc(-c2ccco2)oc1=O)N1CCC(c2ccccc2)=N1 10701712 JULHALZCSWLSEV-UHFFFAOYSA-N 338.323 1.733 0 40 EDAB CC(C)OCCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 3359659 XVJARAQPAFINLB-UHFFFAOYSA-N 328.434 1.482 0 40 EDAB CSc1nc2nc(C)c(CC(=O)Nc3ncccc3O)c(C)n2n1 12741786 GODXSWGDFPKXGN-UHFFFAOYSA-N 344.400 1.745 0 40 EDAB COc1cc(C)c(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 48326300 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344.503 1.883 0 40 EDAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccccc2)N1CCO 13688261 ORHKZLVVDXKINP-WBVHZDCISA-N 333.409 1.328 0 40 EDAB O=C(CN(C1CC1)S(=O)(=O)c1ccc2c(c1)CCC2)NC1CC1 65553746 UQZODZQSEPJIQR-UHFFFAOYSA-N 334.441 1.607 0 40 EDAB CCOC(=O)[C@H](C)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 65535234 RUQCALJNDAEALC-AWEZNQCLSA-N 343.427 1.806 0 40 EDAB O=C(CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O)NCC(F)(F)F 96004446 LJQPHWPSHNMBIK-OAHLLOKOSA-N 340.301 1.308 0 40 EDAB O=C(O)c1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)ccc1O 6623352 XXJITGHMBSVIGG-UHFFFAOYSA-N 333.325 1.768 0 40 EDAB CCC[C@@H](C)NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 4723842 DMMUFJYLFMADHI-GFCCVEGCSA-N 328.434 1.766 0 40 EDAB CCOC(=O)CCCNC(=O)COC(=O)/C=C/c1ccccc1OC 5786222 RQGYNCNXXAQLND-ZHACJKMWSA-N 349.383 1.711 0 40 EDAB CCCc1noc(CN2CCC(N(CC)S(C)(=O)=O)CC2)n1 66883285 BOWMHZHMWLCPRU-UHFFFAOYSA-N 330.454 1.268 0 40 EDAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(N)=O)cc1OC 4996755 PSINHSYLNKSUGU-UHFFFAOYSA-N 348.311 1.191 0 40 EDAB CN(C)c1ncccc1CNC(=O)N1CCC[C@H](c2nncn2C)C1 69351439 NYQVMQZYJYOODK-AWEZNQCLSA-N 343.435 1.365 0 40 EDAB CCOC(=O)c1cn[nH]c1N[C@H]1OC(=O)c2c1ccc(OC)c2OC 17072217 TUKBEHLQIQJWDP-AWEZNQCLSA-N 347.327 1.885 0 40 EDAB CCOC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 20821787 SJHWFBRDUCDRNU-UHFFFAOYSA-N 334.344 1.428 0 40 EDAB Cc1cc([C@H]2CCCN(CCN3C(=O)NC4(CCCC4)C3=O)C2)n[nH]1 84111196 AGXOTACIHOOOMH-AWEZNQCLSA-N 345.447 1.762 0 40 EDAB O=C(Cn1cncn1)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 71853499 LVKCSQUMBPJGLF-MSOLQXFVSA-N 339.443 1.934 0 40 EDAB NC(=O)[C@@H](NC(=O)Cc1cnn(-c2ccccc2)n1)c1ccccc1 71852391 ZQWOQFYKEPNUPP-KRWDZBQOSA-N 335.367 1.153 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2)n1 71856706 NNZDWPHBRSZIAP-KFWWJZLASA-N 349.435 1.130 0 40 EDAB COCCN1CCC[C@H](OC(=O)[C@@H](C)SC[C@@H]2CCCO2)C1 71913679 ZMBQJJCXYBSDEP-ILXRZTDVSA-N 331.478 1.941 0 40 EDAB Cc1ccsc1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 71927902 ZRJOSARKRQPWKY-GFCCVEGCSA-N 328.459 1.001 0 40 EDAB O=C1CC[C@@H](NS(=O)(=O)Cc2c(Cl)cccc2Cl)CN1 71909467 FWXRVFAQPYPUNT-MRVPVSSYSA-N 337.228 1.691 0 40 EDAB CCCc1n[nH]c(=S)n1CC(=O)NCc1ccc2c(c1)OCO2 9609171 ONDPJMDLVOXUCW-UHFFFAOYSA-N 334.401 1.938 0 40 EDAB Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCO[C@@H](C)C3)c2)cc1 72275241 PCTXQKNRJJEAPG-AWEZNQCLSA-N 348.424 1.894 0 40 EDAB C[C@H]1C[C@@H](CC(=O)NCC2(O)CCS(=O)(=O)CC2)CC(C)(C)C1 72297779 BBCYBKXOJJRYPX-KBPBESRZSA-N 345.505 1.895 0 40 EDAB Cc1ccn2c(CNc3ccn(CCS(C)(=O)=O)n3)cnc2c1 84248037 DPUSPWOFODDBNF-UHFFFAOYSA-N 333.417 1.496 0 40 EDAB CCOc1cc(N2CCN(Cc3nccn3C(F)F)CC2)ncn1 97163554 OPOZIWCFISJGTA-UHFFFAOYSA-N 338.362 1.789 0 40 EDAB Cc1ccn(C)c(=O)c1NC(=O)CNC(=O)c1cc(F)cc(F)c1 97162759 SDARSSDNQKUERZ-UHFFFAOYSA-N 335.310 1.340 0 40 EDAB O=c1[nH]c(N2CCC(Nc3ccc(F)cc3)CC2)nc2[nH]ncc12 97163763 NUFCNMDBQUAMFH-UHFFFAOYSA-N 328.351 1.866 0 40 EDAB O=C(CNCC(F)(F)F)N1CCN(c2cc(F)ccc2F)CC1 79022664 VXKLPLJNFLBOEF-UHFFFAOYSA-N 337.292 1.765 0 40 EDAB C[C@@H](CNC(=O)Nc1ncc(-c2ccccc2)s1)S(N)(=O)=O 95453709 UFOZIYOVEGNHQN-VIFPVBQESA-N 340.430 1.609 0 40 EDAB O=C(NCCNC(=O)c1n[nH]c2ccccc12)c1ccc(F)nc1 73225870 XGLHDVCCIOPWCA-UHFFFAOYSA-N 327.319 1.257 0 40 EDAB C[C@H]1CCc2ccccc2N1CCC(=O)N1CCS(=O)(=O)CC1 73311295 PUIUJTWCGSMDQY-AWEZNQCLSA-N 336.457 1.475 0 40 EDAB Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1ncc(CO)n1C 95988616 IYZBIVSUFBOOBW-UHFFFAOYSA-N 347.396 1.850 0 40 EDAB CCCc1nnc(NC(=O)CN(C)c2ncnc3[nH]cnc23)s1 95954408 PESGGPTVUWJUHA-UHFFFAOYSA-N 332.393 1.232 0 40 EDAB C[C@H](CNC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1)[S@](C)=O 95977567 KWKSRFHVEPKNIT-LFKMZEJQSA-N 336.816 1.579 0 40 EDAB CN(CCc1ccccn1)S(=O)(=O)c1cc(Cl)cnc1N 89346486 DOEYCNFHPJKFBX-UHFFFAOYSA-N 326.809 1.575 0 40 EDAB CC[C@@](C)(NC(=O)N[C@H]1CCS(=O)(=O)C1)c1nc(C)cs1 75146764 ORLCGRHYUJJOGY-GXFFZTMASA-N 331.463 1.563 0 40 EDAB O=C1NC[C@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)N1 89807150 HXIXFBASMIMYAN-GFCCVEGCSA-N 348.790 1.869 0 40 EDAB C[C@@H](C(=O)NCCCN1CCOCC1)n1cc(Br)cn1 28224585 IFCJFTOYBRBLHS-NSHDSACASA-N 345.241 1.045 0 40 EDAB COC(=O)c1cccn2cc(Cn3nnc4ccccc4c3=O)nc12 124609442 PUOMUFIBHRWUQQ-UHFFFAOYSA-N 335.323 1.274 0 40 EDAB COc1cc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc(OC)c1O 524729868 MHROSCUUFBUZJK-NSHDSACASA-N 345.351 1.858 0 40 EDAB biogenic Cn1ccc(C(=O)N2CC[C@]3(CCn4c(-c5cccnc5)cnc43)C2)n1 306136161 PLDFZDJESGIDKI-IBGZPJMESA-N 348.410 1.866 0 40 EDAB C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1nccs1 79001456 MFEJIJVPCQPSFP-LBPRGKRZSA-N 331.445 1.781 0 40 EDAB CCN1C(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)N(C)C1=S 39556716 PXFIMJMBUWPFKH-ZSOIEALJSA-N 342.424 1.546 0 40 EDAB CCOCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 72241749 UBEGWSCWENJQBS-JKSUJKDBSA-N 338.379 1.267 0 40 EDAB CC(C)(C)C(=O)N1CCN(C(=O)Nc2cnn(CC(F)F)c2)CC1 72546445 HVJJUDGEYYSLLC-UHFFFAOYSA-N 343.378 1.870 0 40 EDAB COCCN1CCCN(C(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)CC1 79297820 HCLWPZCSSAYERZ-MRXNPFEDSA-N 348.443 1.837 0 40 EDAB CN(C)C(=O)CN1CCC[C@@H](c2ccnc(Nc3cncnc3)n2)C1 72377915 JWSNBZMKQADRSM-CYBMUJFWSA-N 341.419 1.278 0 40 EDAB O=C1C[C@@H](NCc2ccc(CO)o2)[C@H](c2cccnc2)N1C1CC1 568304800 SOZPQQHMNVYKBO-AEFFLSMTSA-N 327.384 1.761 0 40 EDAB Cn1nc(C(=O)NCc2ccccn2)cc1NC(=O)c1ccco1 40745826 BFXUSPFHOFWXJG-UHFFFAOYSA-N 325.328 1.590 0 40 EDAB Cc1nnc(NC(=O)Cn2cc(COc3ccc(F)cc3)nn2)s1 227161111 DCQBXJIRBYREGN-UHFFFAOYSA-N 348.363 1.795 0 40 EDAB Cc1ccc(Cn2cccc(S(=O)(=O)N3CCOCC3)c2=O)cc1 49408836 ZXGWQGIPNQIFGV-UHFFFAOYSA-N 348.424 1.226 0 40 EDAB CC(C)CCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225947454 IZMMACOOVIEJFO-AWEZNQCLSA-N 330.425 1.968 0 40 EDAB Cc1cc(CNC(=O)CN2C(=O)CCCc3ccccc32)n(C)n1 227169236 HUVTYQWOKQCAID-UHFFFAOYSA-N 326.400 1.714 0 40 EDAB Cc1cccc(OCc2cn(CC(=O)NC[C@H]3CCCO3)nn2)c1 227167485 UOQGWGCMEOGACD-MRXNPFEDSA-N 330.388 1.461 0 40 EDAB O=C(Nc1cccc(CS(=O)(=O)N2CCCC2)c1)[C@@H]1CCCO1 223220545 XPSYTDCJWPWRJZ-HNNXBMFYSA-N 338.429 1.730 0 40 EDAB C[C@]1(NC(=O)/C=C/c2cnc3ccccc3n2)CCS(=O)(=O)C1 44867680 NXQHNQFHWUPEIA-MOEXGYKKSA-N 331.397 1.336 0 40 EDAB CO[C@H]1CN(S(=O)(=O)c2cccc3nsnc23)CC[C@@H]1C 194810938 JJMXDUAOKMTPKT-ONGXEEELSA-N 327.431 1.737 0 40 EDAB CCS(=O)(=O)C(Br)(Br)C(=O)C1CC1 96518499 SJJNXMAVXCWVCS-UHFFFAOYSA-N 334.029 1.844 0 40 EDAB O=C(CCc1nnc2ccccn2c1=O)NCCc1ccc(O)cc1 96232014 LSTMIYCSNUEPGK-UHFFFAOYSA-N 338.367 1.087 0 40 EDAB CN(C)S(=O)(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 96456163 KMASEWCLCIYMAL-CQSZACIVSA-N 340.836 1.958 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(c2ncccn2)[C@H]1Cc1ccccc1 96200822 NGRBTRFZKIMVLC-CABCVRRESA-N 332.429 1.216 0 40 EDAB NC1CCN(c2nccn3c(=O)n(Cc4cccc(F)c4)nc23)CC1 96530677 SESMRWNOUSBPCB-UHFFFAOYSA-N 342.378 1.006 0 40 EDAB CCn1nnc2c1[C@@H](COCC(=O)N(C)C)CN(Cc1ccco1)C2 96045544 LQTKJSOYEKVLSR-CYBMUJFWSA-N 347.419 1.095 0 40 EDAB C[C@H]1CN(C(=O)c2ccnnc2)C[C@@]12CCN(c1cccnc1)C2=O 96201751 NNPRTACPXDOJIO-UGSOOPFHSA-N 337.383 1.387 0 40 EDAB CS(=O)(=O)CC1(Cn2nc(-c3ccccc3F)ccc2=O)CC1 534803586 UCZYHTPORJBCQS-UHFFFAOYSA-N 336.388 1.874 0 40 EDAB Cn1cc(CN2CCC[C@@]3(CCN(S(=O)(=O)C4CC4)C3)C2)cn1 96047002 WJIWDQHJCXELJP-MRXNPFEDSA-N 338.477 1.200 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2Cc2nccc(N)n2)cc1 583615516 BPWRFTILGZBNNU-MAUKXSAKSA-N 328.416 1.940 0 40 EDAB O=S(=O)(C1CC1)N1CC2(CCNCC2)C[C@H]1COCC1CC1 96215373 SBYHVVZBDGXZOR-AWEZNQCLSA-N 328.478 1.349 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 96161365 NUGKTUUOWOMODT-HZPDHXFCSA-N 328.412 1.545 0 40 EDAB CC[C@@](O)(CNS(=O)(=O)CC)c1ccc(Br)cc1 96472909 UPWVLBWXPPFJKQ-GFCCVEGCSA-N 336.251 1.986 0 40 EDAB Cc1nn(C)cc1C(=O)OC[C@@H]1CC(=O)N(CCc2ccccc2)C1 96456865 BVJXXIWXKBBDQI-MRXNPFEDSA-N 341.411 1.977 0 40 EDAB O=S1(=O)C[C@H](NCCOc2ccccc2F)[C@@H](N2CCCC2)C1 96407668 DNINRZBROCGAMH-GJZGRUSLSA-N 342.436 1.056 0 40 EDAB CC1(C)CN=C(N2CCN(c3nccn(C4CC4)c3=O)CC2)S1 96494552 FDUJEEDQWHHJHC-UHFFFAOYSA-N 333.461 1.582 0 40 EDAB Cn1nc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)ccc1=O 96432793 DAXBDYVJUVODCP-UHFFFAOYSA-N 329.747 1.872 0 40 EDAB O=C(C1CC=CC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCCN1CCCC1 96041631 HISSPKPVIAGMQI-RCCFBDPRSA-N 334.460 1.823 0 40 EDAB CO[C@@H]1CCN(c2ncccn2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96208853 MGMBNDNZQAPYAT-GVDBMIGSSA-N 325.416 1.597 0 40 EDAB Cn1cc(C(=O)N[C@H]2CN(Cc3ccco3)[C@@H]3CCCO[C@H]23)cn1 96186873 STDUHLXEXAHHIH-ARFHVFGLSA-N 330.388 1.175 0 40 EDAB CN(C)C1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 96420804 VZCSZAQQYWSKBS-GOSISDBHSA-N 331.460 1.440 0 40 EDAB Cc1nc2ncccc2c(=O)n1CCNC(=O)COc1ccccc1 95477484 YJXVSKBXAFAZOI-UHFFFAOYSA-N 338.367 1.295 0 40 EDAB C[C@@H]1CC[S@](=O)CCN1C(=O)C[C@H](n1cccn1)C(F)(F)F 585108360 ZJUNWVJTZXVPNF-AUWXTCHYSA-N 337.367 1.746 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccn3nccc3n2)C1 585125127 HRVMSMFVLGRKTL-NSHDSACASA-N 331.376 1.925 0 40 EDAB COC[C@@]1(C(=O)OC(C)(C)C)CCCN1C(=O)Cc1cnn(C)c1 585123920 OUERNBKWGFRMSE-QGZVFWFLSA-N 337.420 1.312 0 40 EDAB O=C(Cn1cccn1)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O 257302471 SDAUVZUTLVDUCR-JFIYKMOQSA-N 329.400 1.750 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H](c2ccc3c(N)nn(C)c3n2)C1 257267212 MGJZCSPEWPEXSY-NSHDSACASA-N 337.449 1.470 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2ccnc(C)n2)C1 257247989 JBNSZHZBMNASCZ-CYBMUJFWSA-N 326.404 1.712 0 40 EDAB COc1ccccc1[C@H]1CN(C(=O)Cn2ccnc2C)CCN1C 257343879 ZUSZGGBOOBRCOK-MRXNPFEDSA-N 328.416 1.715 0 40 EDAB Cc1cnc(N2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1 253600994 GIYMIKRQKSVIFN-DOTOQJQBSA-N 329.404 1.436 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1 257204794 AWHSONZRUGAJIF-AWEZNQCLSA-N 334.420 1.031 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)c1 257205913 BBBCDNJTAFVJSJ-AWEZNQCLSA-N 339.392 1.191 0 40 EDAB COc1ccc(F)cc1C(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257337832 YUPGKKLTDVOGNW-BFYDXBDKSA-N 336.407 1.894 0 40 EDAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)COc2cccc(F)c2)[C@H]1O 257325556 WTMNCLIZOHYUTN-BFYDXBDKSA-N 325.380 1.981 0 40 EDAB Nc1nccnc1C[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 257222379 DTBKHPAHZJSEGT-ZDUSSCGKSA-N 332.429 1.702 0 40 EDAB O=C(N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O)c1cccc(F)c1 1090022952 MRZJBJGOXCIECW-IAGOWNOFSA-N 329.375 1.586 0 40 EDAB CC1(C)COCCN1CCNC(=O)c1ccnc(-c2ccccc2)n1 1615590155 JPQIGTHWKYUUDQ-UHFFFAOYSA-N 340.427 1.984 0 40 EDAB Cc1nc(C)c(CCNS(=O)(=O)[C@H](C)C(=O)OC(C)(C)C)s1 1615613248 GZUNPIDSQZQLBI-SNVBAGLBSA-N 348.490 1.952 0 40 EDAB O=C(Nc1cc2c(cc1Cl)OCO2)N[C@@H]1CCCCNC1=O 298684308 ZUGWVKCJCAODJM-SECBINFHSA-N 325.752 1.859 0 40 EDAB O=C(c1cnccn1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96104399 JWBRBRNKTGUJJQ-UHFFFAOYSA-N 337.788 1.428 0 40 EDAB Cc1ccoc1C(=O)N1CC2(C[C@@H](OCC(=O)N(C)C)CS2)C1 575404809 VEWXXKOQAIIPEK-GFCCVEGCSA-N 338.429 1.393 0 40 EDAB CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 585290365 QOOJGPJRVDQTMV-QJGZVHSTSA-N 329.404 1.243 0 40 EDAB O=C(CCCn1cncn1)N1CC[C@H](Cc2ccccc2F)[C@H](O)C1 585281337 WGKJHBUZANXRDG-NVXWUHKLSA-N 346.406 1.650 0 40 EDAB CO[C@H]1CCCN(C(=O)c2cnc(C3CC3)nc2)[C@H]1CCC(N)=O 585276710 CWMNJKRZHPGWDC-KBPBESRZSA-N 332.404 1.239 0 40 EDAB CCOc1ccccc1N1C[C@@H](C(=O)NCCn2ccnc2)CC1=O 43946067 FPAVCJNXHXBVJC-AWEZNQCLSA-N 342.399 1.451 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 48199318 BBUBFVCRGQKCOQ-QMMMGPOBSA-N 332.282 1.362 0 40 EDAB CN1CCO[C@H](CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 58111277 OZRUBEOYKKKUBL-SECBINFHSA-N 339.244 1.602 0 40 EDAB CCN(c1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1)C(C)C 58209894 MHVVTKZVBNJXLC-UHFFFAOYSA-N 347.459 1.900 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CCc3ccncc3)CC2)C1 66566547 WODRPXSRSYSTDB-MJGOQNOKSA-N 344.503 1.937 0 40 EDAB O=[S@](CCNS(=O)(=O)c1ccc(F)cc1)c1ccccc1 69619779 CIMWVEBHOBOEFL-FQEVSTJZSA-N 327.402 1.912 0 40 EDAB C[C@H](NC(=O)Nc1cccc(N2CCNC2=O)c1)[C@@H](C)n1cncn1 69698449 OTCHQWGYGRHBDY-NWDGAFQWSA-N 343.391 1.579 0 40 EDAB CCS(=O)(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 69841583 NSZJEYVPZPKORW-UHFFFAOYSA-N 332.429 1.615 0 40 EDAB Cn1cc(S(=O)(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1 95984246 GIDWQMULFXINGD-ZIAGYGMSSA-N 341.820 1.882 0 40 EDAB C[C@@H]1CN([C@H](C)CNC(=O)CNC(=O)CC(C)(C)C)C[C@@H](C)O1 106134895 OVWPMURXLFCQOG-MGPQQGTHSA-N 327.469 1.153 0 40 EDAB O=C1CC2(CN(S(=O)(=O)c3ccc(F)cc3)C2)ON1CC1CC1 1549161998 MBUCSVDOWSCFHX-UHFFFAOYSA-N 340.376 1.143 0 40 EDAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 3254855 NKPQHEFWNDKYCV-UHFFFAOYSA-N 346.368 1.675 0 40 EDAB COc1ccc(Cl)cc1N(CC(=O)NC(C)C)S(C)(=O)=O 5727238 WWDXPHRKLLPHGP-UHFFFAOYSA-N 334.825 1.639 0 40 EDAB COc1cccc(Cn2nc3n(c2=O)-c2ccccc2C2=NCCN23)c1 12184158 RWHOHRSQXFGHOD-UHFFFAOYSA-N 347.378 1.671 0 40 EDAB Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 14114433 LQNOCCPGKXTMAA-UHFFFAOYSA-N 346.412 1.822 0 40 EDAB Cc1ccc(CN(C)C(=O)CSc2nnc(C(F)(F)F)n2N)o1 19313683 WCZJDEQMAYSQBP-UHFFFAOYSA-N 349.338 1.663 0 40 EDAB CNC(=O)NC(=O)CSc1nnc(CNc2ccc(F)cc2)o1 19897474 SPNBFNYFHQPRQB-UHFFFAOYSA-N 339.352 1.369 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NC[C@H]1C[C@@H]2C=C[C@@H]1C2 169680645 CNWYMXRVLBUUON-IIAWOOMASA-N 327.428 1.841 0 40 EDAB Cn1cc([C@H]2CN(C(=O)N[C@@H]3CCCC(C)(C)C3)C[C@@H]2C(N)=O)cn1 286397073 NLFYTOCCDSPLRH-KFWWJZLASA-N 347.463 1.599 0 40 EDAB CCC(=O)NCCn1ncc2c(N3CCCC3)nc(SC)nc21 8946322 URKXRFKOXWXSJA-UHFFFAOYSA-N 334.449 1.675 0 40 EDAB CCOC(=O)[C@H]1CCc2sc(NC(=O)c3cc(O)ncn3)nc21 252478078 ACLBZBPVVXCQBL-ZETCQYMHSA-N 334.357 1.484 0 40 EDAB Cc1cccc(OCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 40496291 AGINZBHTAFBNRM-AWEZNQCLSA-N 340.445 1.162 0 40 EDAB O=C(Cn1ccccc1=O)N1CCc2ncnc(-c3cccnc3)c2C1 1565555953 KIJWTSMIKKVGFC-UHFFFAOYSA-N 347.378 1.285 0 40 EDAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCCc1ccccc1 424164 BOPVZMFLBMABPT-UHFFFAOYSA-N 337.379 1.439 0 40 EDAB Cc1cccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c1C 4370476 CSSQOXLYJHSMNF-UHFFFAOYSA-N 337.383 1.899 0 40 EDAB O=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1ccccc1 9571251 BNOWNHIBQHDPOM-UHFFFAOYSA-N 333.348 1.280 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCCC2)no1 11898201 JUTXLRJGUBGDEK-CQSZACIVSA-N 345.403 1.213 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C1 2055730043 UROBGTXEZKHSJV-OFQRWUPVSA-N 329.400 1.684 0 40 EDAB CCCc1nnsc1C(=O)N1CCN(c2cccnc2)C(=O)C1 585150175 IHQINGYIQUFPBM-UHFFFAOYSA-N 331.401 1.375 0 40 EDAB CC(C)c1noc(CN2CCN(c3ccnc(N(C)C)n3)CC2)n1 336881036 SCEWINFJYSQXIK-UHFFFAOYSA-N 331.424 1.371 0 40 EDAB CC(C)COc1ccc(C(=O)NCc2nnc3c(O)nccn23)cn1 253405694 SZKAENRCNJJJON-UHFFFAOYSA-N 342.359 1.190 0 40 EDAB CCCS(=O)(=O)NC1CCN(c2ncnc3ccccc23)CC1 29589028 DDKYJUNDUYFMHT-UHFFFAOYSA-N 334.445 1.928 0 40 EDAB Cn1ncc2c(N3CCN(Cn4ncsc4=S)CC3)ncnc21 40051347 VJICBWRJDXQWOD-UHFFFAOYSA-N 348.461 1.130 0 40 EDAB CC(C)CNC(=O)CNC(=O)Nc1cccnc1N1CCCCC1 50058621 SCEUBWRZCFEAPV-UHFFFAOYSA-N 333.436 1.966 0 40 EDAB CCOc1ccccc1C(=O)NC1CCN(S(C)(=O)=O)CC1 40497327 KAUFMLBFBHHBJA-UHFFFAOYSA-N 326.418 1.239 0 40 EDAB COc1cc(CNC(=O)c2cnc3n(c2=O)CCS3)cc(OC)c1 40498878 JCCNYJHWPSQLKJ-UHFFFAOYSA-N 347.396 1.296 0 40 EDAB COc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 20491442 DUBZPXHTIMUXTJ-UHFFFAOYSA-N 334.353 1.827 0 40 EDAB O=C1CN(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CCN1 40540931 HSWWMCZGJXYWKO-UHFFFAOYSA-N 330.319 1.977 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCc2cnc(C(C)C)nc2C1 100976986 DSHWRNUMTKCWSX-CJLVFECKSA-N 342.447 1.625 0 40 EDAB COC(=O)c1ccc(OCc2noc(C(=O)NCC3CC3)n2)cc1 32074763 SOBKIMWDTUHFMX-UHFFFAOYSA-N 331.328 1.575 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)[C@H]1CCCCN1Cc1ccncc1 69772913 AFUPBMCIFWVVFC-MRXNPFEDSA-N 332.448 1.419 0 40 EDAB COc1ccc(Cl)cc1CNC(=O)CN(CC(N)=O)C(C)C 51966713 NRGGNKVNSBCQEZ-UHFFFAOYSA-N 327.812 1.161 0 40 EDAB O=C([C@@H]1COCCO1)N1CCN(c2ncc(Cl)cc2Cl)CC1 46646499 OYPFLTGKQPJPOW-LBPRGKRZSA-N 346.214 1.452 0 40 EDAB NS(=O)(=O)c1ccc2[nH]c(-c3cnn(-c4ccccc4)n3)nc2c1 32891479 QTFISYHKGORIIV-UHFFFAOYSA-N 340.368 1.458 0 40 EDAB Cc1c(OCC(=O)NCC(=O)O)ccc2c3c(c(=O)oc12)CCCC3 488077 YYKHSJKRFLJGMO-UHFFFAOYSA-N 345.351 1.560 0 40 EDAB CCCn1nnnc1Cn1nc(C2CC2)cc(C(F)(F)F)c1=O 71817240 LKLSAJDDAFYBBV-UHFFFAOYSA-N 328.298 1.584 0 40 EDAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2F)n1 7418863 DLDCENCXJDNZDQ-UHFFFAOYSA-N 327.319 1.964 0 40 EDAB O=C(C[C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 46785244 OAMKOXABEOTZHO-INIZCTEOSA-N 346.427 1.671 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 71871412 FVIJPDOLOUKLEU-SNVBAGLBSA-N 334.313 1.983 0 40 EDAB CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3CC[C@H]2C)C1=O 9503956 MHGMLUYDJCZDKU-LLVKDONJSA-N 329.356 1.165 0 40 EDAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCCNS(=O)(=O)c1ccccc1 104363267 AIUZMXSCKOIXTI-OAGGEKHMSA-N 338.473 1.758 0 40 EDAB CC(=O)NCCNC(=O)CSc1cccc(Br)c1 69925396 XMCHULKEHTUGEP-UHFFFAOYSA-N 331.235 1.794 0 40 EDAB Cc1cccc(N2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)c1C 23625061 BDRIATRVMGQYCC-RBUKOAKNSA-N 348.487 1.982 0 40 EDAB CN(CC(N)=O)CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 47628698 MMNVJDVITIYGCS-MRXNPFEDSA-N 335.404 1.510 0 40 EDAB COCCOc1cccc(NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 47737766 ZKLUKJXQCHUUSH-ZDUSSCGKSA-N 342.417 1.363 0 40 EDAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)NCc3ccco3)ccc21 23870205 AZZCCHUFWBDYNK-LLVKDONJSA-N 342.355 1.906 0 40 EDAB CCC(=O)N[C@H](CCSC)C(=O)NC[C@@H]1Cc2ccccc2O1 54773446 XXBKNGJTUBCPOW-UONOGXRCSA-N 336.457 1.754 0 40 EDAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCC(N)=O)C1=O 24087954 MZGNIIKQZMKUHL-CYBMUJFWSA-N 330.171 1.636 0 40 EDAB O=C(NCc1nccn1CCc1ccccc1)N1CCC[C@@H](O)C1 83751527 CGGAHRJHHUNBEI-MRXNPFEDSA-N 328.416 1.792 0 40 EDAB CC(=O)c1ccc(N2CCN(c3cc(C)nc4ncnn34)CC2)cc1 12557881 LPFKFEPNIVNTPB-UHFFFAOYSA-N 336.399 1.962 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(F)cc2Cl)CC1 24777661 FTINHMOYVCRLFG-UHFFFAOYSA-N 334.800 1.587 0 40 EDAB Cc1c([C@H](C)NC(=O)Cn2c(=O)cnc3ccccc32)cnn1C 25000481 ZCJLQVGSNRAMCU-NSHDSACASA-N 325.372 1.316 0 40 EDAB Cc1ccccc1CN1CCCN([C@H](C)C(=O)N2CCOCC2)CC1 106652284 CHHRKJXLTQYZHL-GOSISDBHSA-N 345.487 1.750 0 40 EDAB CCNC(=O)CN(CC)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 106769755 VIORENNKXFRUBS-WBVHZDCISA-N 346.475 1.990 0 40 EDAB C[C@@](O)(CNS(=O)(=O)Cc1ccon1)c1ccc(F)cc1F 89901329 IHMPMSPYMAOZMB-CYBMUJFWSA-N 332.328 1.280 0 40 EDAB C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 106911702 FUCHASRHXNGOTR-JSGCOSHPSA-N 349.456 1.429 0 40 EDAB O=S1(=O)CC[C@H](N(Cc2cccc(Cl)n2)C[C@@H]2CCCO2)C1 107065351 JEQFXXVNRSSWGP-KBPBESRZSA-N 344.864 1.903 0 40 EDAB O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCO[C@H]2CCC[C@@H]21 56197138 FJMXGYVWVBJQMW-GJZGRUSLSA-N 331.347 1.316 0 40 EDAB CCc1cnc(CN(C)[C@@H]2CCN(C[C@H](O)Cn3cccn3)C2)o1 76047792 HBGBKUDDGLRFCX-CABCVRRESA-N 333.436 1.001 0 40 EDAB O=c1ccc(-c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n[nH]1 35378095 QOYHECZMQFMSBY-UHFFFAOYSA-N 339.804 1.875 0 40 EDAB C[C@@H](Nc1ccc(Br)c(F)c1)C(=O)N1CCNC1=O 76084423 KCXWXDTZRJCBTL-SSDOTTSWSA-N 330.157 1.940 0 40 EDAB CCOC(=O)[C@H]1C(=O)CC(=O)[C@H](C(=O)OCC)C1[C@H]1CC=CCC1 104154676 LOOXMNQJBANMLJ-UVBJJODRSA-N 336.384 1.859 0 40 EDAB Cn1c(=O)c2c(nc(C3C[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3)n2C)n(C)c1=O 102832552 WJZABZDNBWNGQV-PBYDBYKOSA-N 328.416 1.510 0 40 EDAB CC(=O)NCc1ccc(-c2csc(CN3C(=O)CNC3=O)n2)o1 58158567 ACQQBRGHDVFKSA-UHFFFAOYSA-N 334.357 1.091 0 40 EDAB CNC(=O)CN1CCN(C(=O)[C@@H](C)SCc2ccccc2)CC1 58114746 QJKNWWSEWQLKAB-CQSZACIVSA-N 335.473 1.199 0 40 EDAB C[C@H](NC(=O)Cc1noc2ccccc12)C(=O)NCc1ccco1 58283273 ZYEASUJCCRWCET-NSHDSACASA-N 327.340 1.784 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)COCc1ccccc1 44919682 PKWUEPCMVIUARC-OAHLLOKOSA-N 340.445 1.134 0 40 EDAB COC(=O)c1ccccc1S(=O)(=O)NCCc1nc(C)cs1 48276837 PYCWIDDEHIQGAE-UHFFFAOYSA-N 340.426 1.759 0 40 EDAB O=C(CNC(=O)NCCOc1ccccc1)NCCc1ccccc1 58555938 AHXGRHDDRXGRDI-UHFFFAOYSA-N 341.411 1.724 0 40 EDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(N)=O 36383986 WRTFYFBSXNQNBQ-UHFFFAOYSA-N 334.353 1.593 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N1CCN(Cc2cccnc2)CC1 48230197 NXKUCCKZHHNTLW-OAHLLOKOSA-N 328.420 1.194 0 40 EDAB Cc1nn2c(nc(N3C[C@@H](O)C[C@H]3C(N)=O)c3ccccc32)c1Cl 36420469 KPHPOIIADJIFBC-CABZTGNLSA-N 345.790 1.269 0 40 EDAB Cc1n[nH]c(=O)c2c(NC(=O)CN3C[C@H](C)O[C@@H](C)C3)oc(C)c12 28623417 PBIBAHCQGWXCNE-IUCAKERBSA-N 334.376 1.181 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)s1 11202238 QWYQSFQZXMCPBX-UHFFFAOYSA-N 340.382 1.054 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)Cn1ncc2ccccc2c1=O 29005815 UECXMDNRGUGNCA-AWEZNQCLSA-N 331.372 1.100 0 40 EDAB COc1ccc(OC[C@@H](O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 48361924 RDJREFNZAPWATJ-ZDUSSCGKSA-N 348.399 1.690 0 40 EDAB O=C(CCCC1CCCCC1)NCC1(O)CCS(=O)(=O)CC1 71924179 BMHPOOLLKMTFNN-UHFFFAOYSA-N 331.478 1.793 0 40 EDAB CCCc1c(C(=O)NS(C)(=O)=O)nnn1-c1cccc(Cl)c1 69579284 GZAPAYXKJDPSNF-UHFFFAOYSA-N 342.808 1.563 0 40 EDAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccnc(-n2cncn2)c1 71924320 ZKSULZCBNBIPKE-LSDHHAIUSA-N 335.367 1.957 0 40 EDAB O=S1(=O)CCN(C[C@H]2CCCO2)c2c(F)nc(F)c(Cl)c21 13683685 LBLCMYOYPKYJAQ-SSDOTTSWSA-N 338.763 1.786 0 40 EDAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2F)cc1 8984269 VKTFCKXBRIMPDG-UHFFFAOYSA-N 345.330 1.528 0 40 EDAB CCCCS(=O)(=O)NC[C@H](O)CN1CCc2ccccc2C1 71916210 PZLSHNQZILFBLH-INIZCTEOSA-N 326.462 1.125 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2OC)n1C 5130927 NCDYNOSSGGVEIO-SECBINFHSA-N 349.416 1.427 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)c1cccc(N2CCCC2=O)c1 65399432 IBNRHUCJTPYGED-UHFFFAOYSA-N 339.399 1.623 0 40 EDAB Cc1ccc(-c2cc(C(=O)NCCN3CCCS3(=O)=O)[nH]n2)cc1 65405189 BECBGSZUOYQAQN-UHFFFAOYSA-N 348.428 1.150 0 40 EDAB CCc1ccccc1NC(=O)CN(C)C(=O)CNCC(F)(F)F 65550971 VTIWSIXASWSNAM-UHFFFAOYSA-N 331.338 1.798 0 40 EDAB COCCN1CC[C@H](CNC(=O)CCc2cc(F)ccc2F)C1 65586787 TVJGSKQVXKELBB-CYBMUJFWSA-N 326.387 1.982 0 40 EDAB O=C(O)C1CCN(S(=O)(=O)c2ccccc2Br)CC1 6746614 KTYCJMXADIRTHH-UHFFFAOYSA-N 348.218 1.934 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3ccco3)CC2)[C@@H]1C 15258832 QOOHUKVHBDGWEH-OAGGEKHMSA-N 347.459 1.978 0 40 EDAB CC(C)Cn1cc(C(=O)N(C)[C@H]2CCC[C@H]2S(C)(=O)=O)cn1 96005765 PEMIIVADNWGVNK-UONOGXRCSA-N 327.450 1.577 0 40 EDAB O=C(NCC[C@H]1CN(C2CCOCC2)Cc2ccnn21)N1CCCC1 306137827 RHNFRXRQKWFRIV-INIZCTEOSA-N 347.463 1.614 0 40 EDAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCC(=O)N1CCOCC1 71890262 KUXLQUKLAXWOHN-CQSZACIVSA-N 341.452 1.177 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 8074631 SSRQXUYJPRBSRR-OAHLLOKOSA-N 333.407 1.733 0 40 EDAB COC(=O)N1CCCN(S(=O)(=O)Cc2cccc(F)c2)CC1 68908363 ICGYMYMOCWQDPE-UHFFFAOYSA-N 330.381 1.430 0 40 EDAB Cc1cc2nc(O)c(C(=O)N3CCCC[C@H]3Cn3cccn3)cn2n1 71865412 WBVRCWAZCMLUBE-ZDUSSCGKSA-N 340.387 1.635 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)OCc1ccccc1 70021424 SWELOSHKAIHCEO-UHFFFAOYSA-N 346.408 1.440 0 40 EDAB O=S(=O)(NCCc1ccc(C(F)(F)F)cc1)N1CCOCC1 69350907 HDIXYGKTRMWIPN-UHFFFAOYSA-N 338.351 1.415 0 40 EDAB COCCn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cn1 69350857 YXAVBICOFZDERV-GFCCVEGCSA-N 346.362 1.660 0 40 EDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccc(C)n(C)c3=O)C2)n1 71870898 GZFCIQZXGZINMC-OAHLLOKOSA-N 328.416 1.984 0 40 EDAB O=C(Cc1ccccc1O)NC[C@H]1CN(Cc2ccccc2)CCO1 69510277 HLRUTLDKTFIMMK-SFHVURJKSA-N 340.423 1.952 0 40 EDAB Cc1nc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c[nH]1 71893254 QFDBFLBDCBJKAX-UHFFFAOYSA-N 340.305 1.897 0 40 EDAB CCOCCN1CCN([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1CC 69697982 ZSFOIGWOFAAFQT-LSDHHAIUSA-N 335.452 1.236 0 40 EDAB O[C@H](COCc1ccccc1F)CN1CCC(c2nc[nH]n2)CC1 83690953 OAFCQBJEIPHGEL-HNNXBMFYSA-N 334.395 1.701 0 40 EDAB COc1cccc2c(C)c(C(=O)NCCN3CCN(C)CC3)oc12 69743817 QLQSPMCVEWIZSA-UHFFFAOYSA-N 331.416 1.727 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@H]1N(C)C 78897125 VIKVDYGIULCDEM-DNNBLBMLSA-N 330.432 1.010 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)COc3ccc(C(N)=O)cc3)C2)no1 72231711 MQTSXPNZLLUGRB-CYBMUJFWSA-N 344.371 1.262 0 40 EDAB Cc1noc(Cl)c1CCC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269005 RLYRJWAPGWSZJQ-KBPBESRZSA-N 341.839 1.627 0 40 EDAB CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2F)C1 97138794 CNPPGUURUXBFLP-ZETCQYMHSA-N 338.763 1.382 0 40 EDAB COc1ccc(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)cc1F 78964914 DPJKSPMQGSWNLQ-ZDUSSCGKSA-N 331.347 1.686 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccnc(OC)c1 97299708 ZGVFFIOVMDCYNK-IMBBRHANSA-N 349.456 1.964 0 40 EDAB Cn1cc([C@H]2OCC[C@@H]2CNCc2cnc(N3CCCC3)nc2)cn1 84317567 YUHOQIMRQPCTAG-WBVHZDCISA-N 342.447 1.678 0 40 EDAB c1cnnc(NC[C@@H]2CN(CCc3ccc4c(c3)CCO4)CCO2)c1 84429226 AYLGFEKJHGSBQL-QGZVFWFLSA-N 340.427 1.767 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)o2)n1 27980385 GEHYNYMMJYYZLX-LBPRGKRZSA-N 337.401 1.058 0 40 EDAB CN(Cc1nccn1C)C(=O)c1cc(I)c[nH]1 89761423 HYVYROXAHHRZAR-UHFFFAOYSA-N 344.156 1.625 0 40 EDAB O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCOC2(CCOCC2)CC1 547423976 DYSRMKJPGJVXFT-CQSZACIVSA-N 334.420 1.248 0 40 EDAB O=C(NCCCn1ccnn1)N[C@H]1CCO[C@@H](c2ccccc2)C1 128154671 DABFKUXHLZCACM-JKSUJKDBSA-N 329.404 1.888 0 40 EDAB CC(C)NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408702228 AINUTZDSEBBVOV-LLVKDONJSA-N 342.417 1.137 0 40 EDAB CCN(CC)C(=O)N1CCN(C(=O)c2cccc(N(C)C)c2)CC1 31503876 GYOBOZCDLWDFQG-UHFFFAOYSA-N 332.448 1.972 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2c[nH]c3ncccc23)n1 79354719 QCFLRRMXYFXYOA-LLVKDONJSA-N 347.444 1.991 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)c1ccccc1 77264317 UFONYQKJEXAJPW-KURKYZTESA-N 326.396 1.335 0 40 EDAB biogenic,in-vitro O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CCc2nc[nH]c2C1 217792099 XZZHQACCJHJSER-AWEZNQCLSA-N 341.415 1.063 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)N2CCOCC2)nn1C 36612422 QAUCEICDDXYSPX-STQMWFEESA-N 334.420 1.201 0 40 EDAB COc1ccccc1NC(=O)Cc1nnc(SCC(=O)O)n1C 72328150 ADQMRXWYJZIVDJ-UHFFFAOYSA-N 336.373 1.182 0 40 EDAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1ccc(N2CCOCC2)cc1 238812885 ASQXZQNAAUGYIR-NJAFHUGGSA-N 346.427 1.590 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3ccc[nH]c3=O)CC2)cc1F 32819161 GKJCOGDZFUBTOI-UHFFFAOYSA-N 345.374 1.481 0 40 EDAB CN(Cc1nnc2ccccn12)C(=O)c1[nH]ncc1Br 79099008 MAIBMZKJSCXMGH-UHFFFAOYSA-N 335.165 1.487 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CCO1 183986589 GWOSFDBZSPMXFM-IRXDYDNUSA-N 345.443 1.015 0 40 EDAB CC(=O)N1CCN(CC(N)=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 72367879 SOCUYORAPIDXTJ-CYBMUJFWSA-N 329.322 1.396 0 40 EDAB CO[C@H](C)CC(=O)N[C@@H]1CCCN(C(=O)c2cnc3n2CCC3)CC1 1065956328 LJNNJYHCFMHOKV-ZIAGYGMSSA-N 348.447 1.365 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](C)n2ccc(-c3ccccn3)n2)CC1 329163318 GFZMAYVUCVDYSS-ZDUSSCGKSA-N 327.388 1.197 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)N2CCC(Cc3ccccc3)CC2)CCO1 324756583 TXVNKJYLXHJOFB-INIZCTEOSA-N 332.400 1.847 0 40 EDAB C[C@H](CCNC(=O)N1CCCNC(=O)[C@H]1C)N(C)Cc1ccccc1 191436907 JUGCDQOYIYPBHH-HZPDHXFCSA-N 346.475 1.817 0 40 EDAB O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(C4CCCC4)C3)N2C1 514289819 PAIQJLFBHVBRPU-RBUKOAKNSA-N 342.487 1.329 0 40 EDAB biogenic,in-vitro CCCN1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)c2cc(F)ccc21 195579231 LZHORKHTTVZYEJ-LBPRGKRZSA-N 340.420 1.823 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NCC1(O)Cc2ccccc2C1 225716184 PEHJILRCEPJHDG-UHFFFAOYSA-N 335.400 1.942 0 40 EDAB O=S(=O)(c1ccc(CNCc2ccco2)cc1)N1CCOCC1 61028588 SOLOMEJSKGZAMY-UHFFFAOYSA-N 336.413 1.590 0 40 EDAB Cn1ncc2c1[C@@H](COCC1CC1)N(C(=O)c1ccncn1)CC2 96044504 UJGBBINVHXMXHL-OAHLLOKOSA-N 327.388 1.376 0 40 EDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1cncnc1-c1ccccc1 330033175 WWAWMLAJIKNVTL-NSHDSACASA-N 334.401 1.362 0 40 EDAB CN(C)CCO[C@H]1CN(Cc2ccc3c(c2)OCO3)[C@@H]2COC[C@@H]21 96184986 RBXHFQGLBWBTSI-DAYGRLMNSA-N 334.416 1.193 0 40 EDAB COc1ccc(Cc2noc(C3=NN(C)C(=O)CC3)n2)cc1OC 96405300 RCQHFPSTTGDZJP-UHFFFAOYSA-N 330.344 1.634 0 40 EDAB COCC(=O)N1C[C@H]2Cc3c(c(-c4cccc(OC)c4)nn3C)[C@H]2C1 96145649 DYKUKIQKUGUWKX-HIFRSBDPSA-N 341.411 1.840 0 40 EDAB CCOCC(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2Cc1cccc(C)n1 96186541 NYECZZSMAAAHKS-HOTGVXAUSA-N 331.416 1.518 0 40 EDAB COCCO[C@H]1CCN(CC2CCOCC2)[C@H]1Cc1cnn(C)c1 96061645 MXKSSXCHUASSLM-ROUUACIJSA-N 337.464 1.495 0 40 EDAB CCOC(=O)[C@@H]1CN(C(=O)c2ccncc2)Cc2ncn(CC)c21 96059383 ZVCMACQBNFDHRZ-CYBMUJFWSA-N 328.372 1.601 0 40 EDAB CN(C)CCOC[C@H]1CN(Cc2cccs2)Cc2nnn(C)c21 96060654 ZAUKZPUGKAOVIM-CYBMUJFWSA-N 335.477 1.554 0 40 EDAB CCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1ccsc1)C2 96108370 VFLXPHNJDYLBQC-KGLIPLIRSA-N 330.475 1.136 0 40 EDAB COCCN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)O)s1 582299401 KVQQRUADGCVXDW-UHFFFAOYSA-N 345.398 1.877 0 40 EDAB CS[C@@H]1CCCCN(C(=O)NCCN2CCC(N(C)C)CC2)C1 95443487 DXGHUYNJFVOMES-MRXNPFEDSA-N 342.553 1.940 0 40 EDAB CCS(=O)(=O)N[C@@H]1CN(Cc2ccc(C)o2)C[C@@H]2CCCO[C@@H]21 96057117 GSFHLHOJAMXFHL-IMJJTQAJSA-N 342.461 1.507 0 40 EDAB C[C@H](NS(=O)(=O)N1CCC[C@H](C(=O)O)C1)c1cccc(F)c1F 582357781 OORXVVCFYPSLJG-UWVGGRQHSA-N 348.371 1.657 0 40 EDAB Cc1ncsc1CN1Cc2ncn(C)c2[C@@H](C(=O)NC(C)C)C1 248066444 WCMYOPJULSBJDG-LBPRGKRZSA-N 333.461 1.809 0 40 EDAB CS(=O)(=O)N1CCC(c2cccc(N3CCOC3=O)n2)CC1 257259535 KYUXOFYBSKKAPX-UHFFFAOYSA-N 325.390 1.177 0 40 EDAB O=S1(=O)CCC[C@H]1CN1CCN(Cc2ccncc2Cl)CC1 585133352 GESQVXYTTFWXCE-AWEZNQCLSA-N 343.880 1.430 0 40 EDAB Cn1cncc1CN1CCC[C@@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257266549 MDMAAMRTGUKDGL-LBPRGKRZSA-N 337.449 1.001 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(CC(=O)N3CCCC3)CCO2)n1 257332028 XVLOMYRKSZHMIJ-KRWDZBQOSA-N 332.448 1.452 0 40 EDAB Cc1cccnc1C(=O)N1CCOC[C@@H]1CCc1nccnc1C 257301071 RWWSVODUOSSWGK-HNNXBMFYSA-N 326.400 1.962 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)CCCn1cccn1 257322878 WHUKSKPWFCCBIB-MRXNPFEDSA-N 343.431 1.622 0 40 EDAB COCC(=O)N1CC=CC[C@H](C(=O)NCc2ccc(F)cc2)[C@H]1C 257261224 LGFXOFTXHYYPIR-CJNGLKHVSA-N 334.391 1.882 0 40 EDAB Cc1cc(C)cc([C@H](O)CNC(=O)N[C@@H](C)CCS(C)(=O)=O)c1 252508803 XUOYEFUNXGLYAT-DZGCQCFKSA-N 342.461 1.459 0 40 EDAB Nc1nccnc1[C@@H]1CN(Cc2ccc(OCC(=O)O)cc2)CCO1 257237623 HHISWVNUMACHGN-AWEZNQCLSA-N 344.371 1.096 0 40 EDAB O=C(N[C@@H]1CCN(C(=O)COc2ccccc2)C1)[C@@H]1CCCOC1 252502836 UULGPUNRIAOYIW-HUUCEWRRSA-N 332.400 1.209 0 40 EDAB COc1cncc(S(=O)(=O)N[C@H](CC(=O)O)c2ccsc2)c1 541909578 LKAFGGLRFOTJBB-GFCCVEGCSA-N 342.398 1.646 0 40 EDAB Cc1cnc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)c4ccnnc4)C[C@@H]32)cn1 257319106 VQTVJWRMSDBNAV-OWCLPIDISA-N 338.415 1.562 0 40 EDAB Cc1cc2ncc(C(=O)N(CCC(=O)O)C[C@H]3CCCO3)c(C)n2n1 532002880 SMINFLYAUUZTRG-CYBMUJFWSA-N 346.387 1.442 0 40 EDAB O=C(O)[C@H]1CCCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)C1 261669300 GTPXAULEXBHYIR-AWEZNQCLSA-N 343.383 1.488 0 40 EDAB O=C(Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1)[C@H]1CCOC1 262719125 HLKYZUFVXFGHDM-DZGCQCFKSA-N 346.383 1.741 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCCn3cncn3)CC2=O)cc1 41862312 VTFASTVTYIPUSZ-CQSZACIVSA-N 327.388 1.146 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)NCCc2cnc(C3CC3)nc2)c1 568745187 QYTKCQRVIITTLP-UHFFFAOYSA-N 347.396 1.573 0 40 EDAB CN1CCC(O)(CN[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 585290003 YXSUHSPYHFMRAW-RCCFBDPRSA-N 334.460 1.394 0 40 EDAB COCC(=O)N1CCn2cc(C(=O)NCc3cccs3)nc2[C@H]1C 585096234 CCYORAZXPAONRI-LLVKDONJSA-N 348.428 1.424 0 40 EDAB COCCN1C[C@H](COC)C2(CCN(C(=O)c3cccn3C)CC2)C1 585104335 ZEXDWMGVBOGUNA-MRXNPFEDSA-N 349.475 1.472 0 40 EDAB Cn1cc(CCNC(=O)N2CCN(Cc3ccsc3)CC2)cn1 46994001 AZJMBTOGFMXOAP-UHFFFAOYSA-N 333.461 1.552 0 40 EDAB CN1C[C@H](C(=O)NCc2cccc(N3CCCCC3=O)c2)CC1=O 55662590 KQRLDDJXVYPRAL-CQSZACIVSA-N 329.400 1.298 0 40 EDAB C[C@H](SCCN1C(=O)NC(C)(C)C1=O)C(=O)N1CCCCC1 56242132 ZCKCMELRTKENEM-NSHDSACASA-N 327.450 1.451 0 40 EDAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCO[C@H](Cn2cccn2)C1 69372547 OEFYQRZZEKOBCL-KGLIPLIRSA-N 339.399 1.582 0 40 EDAB CC(=O)N1CCN(C(=O)CN2C[C@H](c3ccccc3)OC[C@@H]2C)CC1 67228545 ZSUJUONYJRJRRS-MAUKXSAKSA-N 345.443 1.139 0 40 EDAB Nc1nc2[nH]c(SCC(=O)Nc3ccccc3F)nc2c(=O)[nH]1 4133972 GLWGZIXBUGNZAN-UHFFFAOYSA-N 334.336 1.098 0 40 EDAB Cc1cc(OC[C@@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1 1775970982 LKXAWZRUYUTFRC-CQSZACIVSA-N 345.399 1.156 0 40 EDAB COc1ccc(C[C@](C)(O)CNc2ncnc3c2ncn3C)cc1 1775970928 KGGJVAKOKZDLLT-KRWDZBQOSA-N 327.388 1.778 0 40 EDAB COc1ccc2c(c1)OC[C@@H]([C@]1(O)C(=O)Nc3ccccc31)C2=O 5016108 KKTMNJKONDCQDS-ACJLOTCBSA-N 325.320 1.726 0 40 EDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCn1cnc3ccccc31)C2 12117317 OLFFCMCBOQGCJS-UHFFFAOYSA-N 337.383 1.403 0 40 EDAB CSCC[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)O 1795936 XWJNKCOADQIXDX-SNVBAGLBSA-N 341.813 1.964 0 40 EDAB in-vitro O=C(c1ccoc1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225602585 ZUXRPLVEYNVMOV-UHFFFAOYSA-N 328.372 1.411 0 40 EDAB CC(=O)Nc1ccc(SCCCC(=O)N2CCN(C)CC2)nn1 21148908 WUWPUNJQWLXYRJ-UHFFFAOYSA-N 337.449 1.081 0 40 EDAB NCCn1ncc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 26421591 HRUZOHHWKOXNKR-UHFFFAOYSA-N 337.431 1.107 0 40 EDAB Cc1noc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)n1 1888888318 IVBIUFBUAZJQPZ-KBPBESRZSA-N 348.428 1.131 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 24806247 JHPHJGKOGDTIDW-CYBMUJFWSA-N 340.383 1.351 0 40 EDAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)NC1CCCC1 31175167 ZDAKXOZRWAVSIK-CQSZACIVSA-N 340.445 1.328 0 40 EDAB COc1ccc([C@H](CNC(=O)CN2CCCCCC2=O)N(C)C)cc1 33023446 ATXLCEMRDCFIHY-KRWDZBQOSA-N 347.459 1.817 0 40 EDAB CCOC[C@H]1CN(C(=O)c2ncnc(C)c2C)Cc2cn(C)nc21 1565549471 XUOFLLNQEFXCFK-CQSZACIVSA-N 329.404 1.603 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)CC4(O)CCC4)C[C@@H]3C2=O)cs1 1565554256 WAMQKSWXMBCWFI-JSGCOSHPSA-N 349.456 1.173 0 40 EDAB COc1ccc(NC(=O)COc2cccc3c2CCNC3=O)cc1 4851129 JAMDUCZABYCNPT-UHFFFAOYSA-N 326.352 1.999 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N(C)C)cc1 11897899 JJWCWZPQBVUYCA-MRXNPFEDSA-N 337.445 1.615 0 40 EDAB Cn1c(-c2nc(C(=O)N3CCNC(=O)C3)cs2)cc2ccccc21 35598457 PRWXUCWVLOTDFS-UHFFFAOYSA-N 340.408 1.874 0 40 EDAB O=S1(=O)CC[C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)C1 44456950 MQXBARXDZFTCIX-LBPRGKRZSA-N 339.438 1.553 0 40 EDAB O=C(NCc1ccc(F)cc1F)c1c(O)c2cccnc2[nH]c1=O 49411707 PAUCMJNWCFCJGE-UHFFFAOYSA-N 331.278 1.837 0 40 EDAB O=S(=O)(NC[C@H](c1ccsc1)n1cccn1)c1cccnc1 618255598 GAYMISBJCVYDLG-CQSZACIVSA-N 334.426 1.908 0 40 EDAB CCCCc1nc(CN2CCNC(=O)[C@H]2CC(=O)OC)cs1 40088687 NVMNIRVSAFKHTQ-GFCCVEGCSA-N 325.434 1.349 0 40 EDAB CCn1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc21 40489077 VGZKIGWRFNOSJQ-UHFFFAOYSA-N 335.429 1.379 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1COc2ccccc2C1 40553709 SHXFAJKUZFCACW-JKSUJKDBSA-N 338.411 1.813 0 40 EDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1C[C@H](C)O[C@H](C)C1 40540095 GRSOHJYGJRAOHW-BFQNTYOBSA-N 347.394 1.540 0 40 EDAB O=C(COc1ccc(F)cc1F)N[C@@H]1CCCN(c2ncccn2)C1 40553666 NUHYHJZIIQHDGO-CYBMUJFWSA-N 348.353 1.919 0 40 EDAB COC(=O)c1ccc(NC(=O)c2cc(F)ccc2-n2cnnn2)cc1 20718706 YFVJAALWRPNVPQ-UHFFFAOYSA-N 341.302 1.840 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2c(C)noc2C)C1 84023361 NVCUWUBEAZBRMZ-CQSZACIVSA-N 333.392 1.606 0 40 EDAB NC(=O)C1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 8148864 LHDYDOZLDNJCHV-UHFFFAOYSA-N 332.791 1.588 0 40 EDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1 6274467 VOECPYDCLXDTCJ-UHFFFAOYSA-N 328.434 1.493 0 40 EDAB COc1ccc(-c2nnc(C3CCN(S(C)(=O)=O)CC3)o2)cc1 6737463 UEOKDOYAWSCVGB-UHFFFAOYSA-N 337.401 1.884 0 40 EDAB Cc1ccc(-c2noc(CS(=O)(=O)[C@@H](C)C(=O)NC3CC3)n2)cc1 32929891 WJMNGQFUIVSTIC-NSHDSACASA-N 349.412 1.627 0 40 EDAB Cn1c(=O)n(CC(=O)N[C@H]2CCN3CCCC[C@@H]23)c2ccccc21 60573379 TXNDNGJBDPETFR-KBPBESRZSA-N 328.416 1.083 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)OCc3nc4ccccc4o3)cnc21 12057355 CICRGUHXKKOBSB-UHFFFAOYSA-N 339.311 1.015 0 40 EDAB CC[C@@H]1COCCN1C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 75613127 LISXQNSHDHEIDM-OGHNNQOOSA-N 337.420 1.125 0 40 EDAB O=c1c(NCc2ccncc2)c(N[C@@H](CO)Cc2ccccc2)c1=O 102936693 OYFYDLQDFBNYQO-OAHLLOKOSA-N 337.379 1.305 0 40 EDAB Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(CC(N)=O)c2ccccc21 565262 ODDLWHYDLOXQLW-LJQANCHMSA-N 335.363 1.544 0 40 EDAB biogenic Cc1cc(C)n(CCC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)n1 22184071 SLNLPKNDRRQGPY-HNNXBMFYSA-N 347.440 1.925 0 40 EDAB O=C(CCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)NC1CCCC1 53322184 RAEYSIOLXCXPQO-CYBMUJFWSA-N 335.448 1.343 0 40 EDAB CCN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 57355496 ACLOHSLJPPSPPC-FUHWJXTLSA-N 329.444 1.760 0 40 EDAB CCC(C)(C)NC(=O)CSc1nnc(C2CC2)n1CCC(N)=O 22407509 OJDDWQCMOYCNRY-UHFFFAOYSA-N 339.465 1.428 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NCCN1CCCS1(=O)=O)C2 104066107 QJZMBVHZJOXVJR-ZENOOKHLSA-N 343.493 1.536 0 40 EDAB CN(C)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355062 LOYNMEURONHTEA-RHSMWYFYSA-N 335.423 1.803 0 40 EDAB O=C1CN(c2ccccc2)C(=O)N1Cn1nnc2ccccc2c1=O 47170893 PJZUGAPIBPXYKM-UHFFFAOYSA-N 335.323 1.218 0 40 EDAB Cc1nc2cc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc2o1 23702687 VEFVDEFKWVBWBK-UHFFFAOYSA-N 342.355 1.939 0 40 EDAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 23886436 CULYESAZEWYLMY-GOEBONIOSA-N 338.473 1.938 0 40 EDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NC[C@H]1CCCO1 23993569 MVIWBBGKQYWKSY-GFCCVEGCSA-N 328.390 1.111 0 40 EDAB C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCc1ccc(F)cc1 55024723 IFOGGGQOXDRFSD-ZFWWWQNUSA-N 335.423 1.412 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24678269 IIOHFTRBIZTFHX-CYBMUJFWSA-N 343.449 1.154 0 40 EDAB Cc1noc(C)c1CN(C)CC(=O)/N=c1\cc[nH]n1[C@@H](C)C1CC1 102730626 CZFCQDCYTGFXDE-NWLJZCLZSA-N 331.420 1.951 0 40 EDAB COc1ccccc1N1C[C@H](C(=O)N(C)C2CCN(C)CC2)CC1=O 55349879 AMRDQXDATZQRAD-CQSZACIVSA-N 345.443 1.601 0 40 EDAB O=C(NCc1nnc2ccccn12)N1CCCC[C@@H]1c1ncc[nH]1 106519965 GMGOMGYYXNITGH-GFCCVEGCSA-N 325.376 1.889 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c(=O)[nH]1 76018778 MXZSKDFXQSOUKL-AWEZNQCLSA-N 345.786 1.872 0 40 EDAB CN(CC(=O)N1CCC[C@@H]1c1ccccn1)c1ncnc2[nH]cnc12 56276139 VUVCAABXEQNQRF-CYBMUJFWSA-N 337.387 1.548 0 40 EDAB NC(=O)C1(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CCOCC1 57010776 QCFCYJSXRJZDOR-MNOVXSKESA-N 336.354 1.753 0 40 EDAB COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccn(CC(N)=O)n1 57254900 YRAJVEIZOSEZPL-ZDUSSCGKSA-N 342.399 1.826 0 40 EDAB COCCn1cc(C(=O)N2CCN(C(C)=O)CC2)c2ccccc21 57419095 AAGQNBITICOIOH-UHFFFAOYSA-N 329.400 1.592 0 40 EDAB Cn1c(S)nnc1CNC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 108894673 PEISICNMVPPIGL-TZMCWYRMSA-N 332.429 1.888 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NC[C@@H]1CCCO1)=N[C@H]2c1ccccc1 101983172 HSVUNXDUXMTAFD-GOEBONIOSA-N 339.399 1.649 0 40 EDAB CC(C)[C@@H](NC(N)=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 10093626 MSTNSUJKTVSFAC-CYBMUJFWSA-N 343.391 1.306 0 40 EDAB Cn1c(=O)n(CCC(=O)NCc2ccc(O)cc2)c2ccccc21 44906793 HRYBOEGAZBLEBE-UHFFFAOYSA-N 325.368 1.752 0 40 EDAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)nc2)cc1 44909218 BYOOMJLFEHJSLC-UHFFFAOYSA-N 336.355 1.339 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NC[C@@H]1CCCO1 44966251 MCCGQDLUJJYCJS-AAEUAGOBSA-N 341.433 1.215 0 40 EDAB O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)[nH]1)[C@@H]1CC=CCC1 36390999 DZNSSUFJQCSAGG-LLVKDONJSA-N 347.400 1.900 0 40 EDAB O=C(NC[C@H]1CCC2(CN(Cc3cccnc3)C2)OC1)N1CCCC1 306131446 KEONJAQBAUHLRC-QGZVFWFLSA-N 344.459 1.868 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@H](C)c1nnc2n1CCC2 48280222 QQNAUYPIGHHTRX-GFCCVEGCSA-N 337.387 1.604 0 40 EDAB CN1CCC(NC(=O)c2cc(-c3ccccc3)nc3ncnn23)CC1 36618988 VIOWMWFAUVLKLI-UHFFFAOYSA-N 336.399 1.615 0 40 EDAB Cc1nc2n(c1CCNC(=O)c1ccc(NC(N)=O)cc1)CCCC2 48332374 VUPBWTNQSQEPOT-UHFFFAOYSA-N 341.415 1.991 0 40 EDAB COc1ccc(CNC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 12847608 BLIBWOHEOZUAMG-QGZVFWFLSA-N 335.448 1.851 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCCCCC1 3594782 UKBCGNBYEQWJNB-LJQANCHMSA-N 341.411 1.783 0 40 EDAB COCCCNC(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C 13095319 DDCSSIZLGULXIJ-UHFFFAOYSA-N 335.448 1.635 0 40 EDAB Cn1nc(C(=O)N2CCC[C@H](n3cccn3)C2)c2ccccc2c1=O 69418618 GRVBVSRHVPRIAG-ZDUSSCGKSA-N 337.383 1.607 0 40 EDAB CN(CCc1ccncc1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 69435813 RDZJVQOBZQUBLC-LBPRGKRZSA-N 329.322 1.493 0 40 EDAB Cc1ccc(-n2nc(CO)c(C(=O)NCc3cccnc3)n2)cc1C 8613580 KAMPLKBEEYGEJD-UHFFFAOYSA-N 337.383 1.701 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1ccnc(-n2ccnc2)c1 69528313 SDQQGVGQFSGKFZ-UHFFFAOYSA-N 325.420 1.665 0 40 EDAB Cc1nnc2n1CCN(C[C@@H](O)CO[C@@H]1CCCc3ccccc31)C2 69511033 DRBFRRJTNPWRGK-SJLPKXTDSA-N 342.443 1.857 0 40 EDAB CC(C)c1nc(CN2CCC(C(=O)Nc3ncccn3)CC2)no1 64932142 LHDXYZUTQSIPPQ-UHFFFAOYSA-N 330.392 1.834 0 40 EDAB COc1ccc(N2C[C@H](C(=O)NCCN(C)C3CC3)CC2=O)cc1 65443560 NZLBTSQEWFXREG-CYBMUJFWSA-N 331.416 1.259 0 40 EDAB O=S(=O)(C[C@H]1CCCCO1)NCCN1CCc2ccccc2C1 69620356 UZJVBKMFWOYWNE-QGZVFWFLSA-N 338.473 1.533 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)COc2cccnc2)CC1 69655802 RCVBJKIPOHIDIC-UHFFFAOYSA-N 343.431 1.411 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cn1 69655224 GZFKEQAREZEBRZ-BBRMVZONSA-N 342.399 1.725 0 40 EDAB C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1Cl 14047962 RCQGZMLFZWQSDU-SNVBAGLBSA-N 345.790 1.661 0 40 EDAB O=C(C1CCCC1)N1CCN(c2nccc(N3CCCC3)n2)CC1 65562900 YQSGNDSFMLAACQ-UHFFFAOYSA-N 329.448 1.916 0 40 EDAB CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1F 65537421 QYLKFBCSTVKNOD-JQWIXIFHSA-N 346.449 1.804 0 40 EDAB Cc1cc(NCC(=O)N2CCc3sccc3C2)n2ncnc2n1 65594635 KRNVILKRNMFKLG-UHFFFAOYSA-N 328.401 1.491 0 40 EDAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(N)=O 6485790 FBEKWFPCVFGTGG-LLVKDONJSA-N 348.380 1.518 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N(CC)[C@@H]1CC(=O)NC1=O)=C2 65605395 BQWGSZDPHWUMNL-CYBMUJFWSA-N 344.367 1.125 0 40 EDAB CN1CCCN(c2ccc(CNC(=O)NCc3ccco3)cn2)CC1 65626762 WTFSHMRLRYZWGW-UHFFFAOYSA-N 343.431 1.816 0 40 EDAB C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCN(c2cccnc2)C1 65627107 NQZKXEGCRUHXOJ-CHWSQXEVSA-N 344.440 1.657 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)c2c(c1)OCO2 65727170 LTOOHVIGOFNYDZ-CYBMUJFWSA-N 346.770 1.895 0 40 EDAB COc1cc(Cl)ccc1C(=O)N1CCCN(S(C)(=O)=O)CC1 69703177 IOYGMHZPCMNSGG-UHFFFAOYSA-N 346.836 1.456 0 40 EDAB C[C@@H](CS(C)(=O)=O)NC(=O)c1cnn(-c2cccc(Cl)c2)c1 69949110 ZAYMTHRIGABHCD-JTQLQIEISA-N 341.820 1.689 0 40 EDAB O=C(O)Cc1cc(C2CCN(C(=O)c3ncccc3O)CC2)[nH]n1 67434610 UGMXOPOSJVWGEW-UHFFFAOYSA-N 330.344 1.157 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1 7376226 WHRUAVLMVXSRPC-UHFFFAOYSA-N 346.412 1.190 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(C)C)cc1 16222610 XYLGYPSASVYYBB-NSHDSACASA-N 342.417 1.511 0 40 EDAB Cc1ncsc1CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 78111561 CPISELIKLWCGMP-OAHLLOKOSA-N 331.441 1.969 0 40 EDAB C[S@@](=O)c1nncn1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 97083545 SNFIDZLTTYQHEA-QFIPXVFZSA-N 340.771 1.437 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(N3CCCC3)nc2)C1 97051826 QZKRPIVROISKMJ-HNNXBMFYSA-N 338.477 1.195 0 40 EDAB Cn1c(=O)/c(=C\c2c[nH]nc2C(C)(C)C)s/c1=C/C(=O)C(C)(C)C 96310724 FLUYHNHTNUKUHO-MXOVAJDFSA-N 347.484 1.692 0 40 EDAB CN(CC(=O)Nc1cc(C2CCCC2)[nH]n1)c1ncnc2[nH]cnc12 72290237 PTMZOSUEHDILCD-UHFFFAOYSA-N 340.391 1.809 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)CN3Cc4ccccc4C3=O)C2)no1 72268082 MDXAFNGWFXFVOL-CQSZACIVSA-N 340.383 1.740 0 40 EDAB Cc1cc(C[S@@](=O)Cc2cccc(S(=O)(=O)N(C)C)c2)no1 71846907 CNJMQFGIHYQHMG-OAQYLSRUSA-N 342.442 1.682 0 40 EDAB Cc1ccc(N2CCCN(C(=O)CCc3cnn(C)c3)CC2)nn1 71860379 WEAVMQONIXZJNX-UHFFFAOYSA-N 328.420 1.190 0 40 EDAB O=C(NCCc1ccccn1)N(CCO)CCOCC(F)(F)F 71913546 CDBSRANPJNTADT-UHFFFAOYSA-N 335.326 1.207 0 40 EDAB Cn1ccc2c(C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)cccc21 72269083 CCLCGBROZUVJMS-ZWKOTPCHSA-N 327.428 1.850 0 40 EDAB O=S1(=O)CCCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 72291257 CIDJBFUUQZDQEH-UHFFFAOYSA-N 343.412 1.416 0 40 EDAB CCc1c(C(=O)NCCNC(=O)C2CC2)cnn1Cc1ccccc1 97295322 XJLYCTQNDFPMIH-UHFFFAOYSA-N 340.427 1.750 0 40 EDAB COc1ccc(F)cc1CN1CCO[C@@H](CNc2cccnn2)C1 78893697 OKMMMQZLZPZMGA-HNNXBMFYSA-N 332.379 1.937 0 40 EDAB O=C(Cn1ccccc1=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 78999974 UFANYBZBIYGDTH-UHFFFAOYSA-N 343.774 1.780 0 40 EDAB CC(C)N1CC[C@H](N2CCN(Cc3nccn3C(F)F)CC2)C1=O 84597463 PIOJILFKNPRWSC-ZDUSSCGKSA-N 341.406 1.405 0 40 EDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(OCC(N)=O)cc1 84736324 PYRDVNZENIXTSQ-WBVHZDCISA-N 333.432 1.287 0 40 EDAB CCn1cc(S(=O)(=O)N(CCO)[C@H]2CCCc3ccccc32)cn1 95433136 QOQUKDVDADKSTH-KRWDZBQOSA-N 349.456 1.964 0 40 EDAB CCCn1nnnc1CNc1ccccc1N1CCC(CO)CC1 95416353 HABDCIHOTVVZLJ-UHFFFAOYSA-N 330.436 1.904 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)n(C)n1 95445863 SWOYDWNSVSNYKR-ZDUSSCGKSA-N 330.363 1.793 0 40 EDAB NC(=O)[C@H]1CC[C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)O1 95414185 BQSKMFIPCBPXSZ-CMPLNLGQSA-N 330.306 1.397 0 40 EDAB O=C(NCC1CCS(=O)(=O)CC1)N[C@@H]1C[C@@H]1c1ccccc1F 95440267 ITBJIWSYMHFTHB-UKRRQHHQSA-N 340.420 1.806 0 40 EDAB O=C(NCC(=O)N1CCC[C@@H]2COCC[C@H]21)c1cc2ccccc2[nH]1 95410787 KTMCQMRMCWKJAD-RHSMWYFYSA-N 341.411 1.925 0 40 EDAB COC(=O)[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)OC(C)(C)C 95698608 JEHGJBCIXLHGHA-CYBMUJFWSA-N 336.392 1.695 0 40 EDAB in-vitro CCc1n[nH]c(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)n1 86170653 MNQKPBVUBZWIGY-VIFPVBQESA-N 340.380 1.616 0 40 EDAB CN(CC(=O)N1CCCCC[C@@H]1Cc1cccs1)S(C)(=O)=O 89335416 FDYSIGQRLOOEKN-CYBMUJFWSA-N 344.502 1.953 0 40 EDAB C[C@H](C(=O)O)[C@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1ccccc1 89598525 WUQYUCGIAHJKKC-MJEQTWJJSA-N 344.411 1.823 0 40 EDAB O=C1NC[C@@H](C(=O)N(Cc2cccc(Br)c2)C2CC2)N1 89774410 ICVGKSOBFPAPIZ-LBPRGKRZSA-N 338.205 1.622 0 40 EDAB O=C(CNCc1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 89794353 IJCRKHUMSDFWPU-UHFFFAOYSA-N 345.374 1.493 0 40 EDAB Cn1ncnc1CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21 89741168 XZDHOYFBISUQMO-OAHLLOKOSA-N 329.404 1.397 0 40 EDAB O=C(Cn1ccccc1=O)NCCOc1ncc(Cl)cc1Cl 89878798 AINWXUSMRUTWKW-UHFFFAOYSA-N 342.182 1.745 0 40 EDAB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cccc(OC)c2O)C1=O 409104792 IGRMGIBOZXFKIS-XNYAHFKXSA-N 337.353 1.999 0 40 EDAB Cc1ccsc1S(=O)(=O)N[C@@H](C(=O)O)c1c(C)nn(C)c1C 547881858 NOGUQYVBYSUZEN-LLVKDONJSA-N 343.430 1.511 0 40 EDAB Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2cc(N(C)C)ccn2)n[nH]1 1551463117 XHCJMCOLMPXCMG-UKRRQHHQSA-N 344.419 1.219 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2cscn2)n1 72379665 VYFRRFOWRQDTNQ-AWEZNQCLSA-N 331.401 1.547 0 40 EDAB CCCCNc1nc(NC2CC2)nc(Oc2ccc(=O)n(C)n2)n1 32604505 XVABDSPSGQSISQ-UHFFFAOYSA-N 331.380 1.544 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N1CCCc2cc(F)c(F)cc21 72982869 LVMDEYVDUGZIHO-UHFFFAOYSA-N 346.399 1.916 0 40 EDAB NC(=O)c1ccccc1NC(=O)c1coc(NC(=O)C2CCC2)n1 75172289 LQZDKLKVJYINKS-UHFFFAOYSA-N 328.328 1.764 0 40 EDAB CC[C@@H](C)[C@H](NS(=O)(=O)c1cc2c(cc1C)OCO2)C(=O)O 566559507 HFMRQFCUEWBWLO-OQPBUACISA-N 329.374 1.501 0 40 EDAB COCCN1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 72383545 SCHBZRQDYACTHJ-UHFFFAOYSA-N 328.420 1.911 0 40 EDAB Cc1nc(NC(=O)CS(=O)(=O)C(C)C)ccc1Br 72512247 PZXLEOGCCQHOKW-UHFFFAOYSA-N 335.223 1.914 0 40 EDAB CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1COCCO1 75325341 PHMGYENDHPCZOS-ROUUACIJSA-N 332.444 1.772 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 31241488 JGTDKGWXJDPEAT-ZDUSSCGKSA-N 347.392 1.660 0 40 EDAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)c1 44891888 CHDHQBHHYGBQGP-HIFRSBDPSA-N 332.356 1.056 0 40 EDAB C[C@]1(c2[nH]ncc2C(N)=O)CCCN(CCOc2ccccc2)C1 72388829 BYQSSGQBIRFASL-SFHVURJKSA-N 328.416 1.941 0 40 EDAB COCCNC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 48571765 GWTVYXVCFMVTDD-UHFFFAOYSA-N 328.368 1.967 0 40 EDAB CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C(=O)O)C(C)C)ccc12 16040288 JWPMNLOQUVPRIH-QGZVFWFLSA-N 347.367 1.960 0 40 EDAB biogenic Cc1n[nH]c(C)c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 48615091 FROOLRVAKKARMF-UHFFFAOYSA-N 331.376 1.016 0 40 EDAB O=C(O)Cc1cccc(NS(=O)(=O)c2c[nH]c3ncccc23)c1 322051463 ATPNMAURRIYQAZ-UHFFFAOYSA-N 331.353 1.991 0 40 EDAB C[C@@]1(NC(=O)/C=C/c2cnc3ccccc3n2)CCS(=O)(=O)C1 44867684 NXQHNQFHWUPEIA-FYCOFBDGSA-N 331.397 1.336 0 40 EDAB Cc1ccc(C)c(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCC3)c2=O)c1 222660445 MPVCUMVBNGIMIN-UHFFFAOYSA-N 343.383 1.437 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](Oc2cnccn2)C1 225469618 VAXKVHGSCMYKCV-CYBMUJFWSA-N 327.340 1.889 0 40 EDAB CCN(C)C(=O)[C@H](C)NC(=O)NC1CCN(c2ccccc2)CC1 190290150 KMARTEFKHZZSKQ-AWEZNQCLSA-N 332.448 1.821 0 40 EDAB Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2F)c1=O 85555728 LSQFUIILGZSAHG-UHFFFAOYSA-N 332.257 1.170 0 40 EDAB Cc1nsc(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)n1 81737820 JMUZEHBPMOEQAZ-UHFFFAOYSA-N 331.445 1.875 0 40 EDAB c1cc(-c2nnn3c2CO[C@@H](CNCc2nccs2)C3)ccn1 96087217 MDEYWWBPKVHXKL-LBPRGKRZSA-N 328.401 1.485 0 40 EDAB O=S(=O)(Nc1ccc(Cl)c2cccnc12)N1CCOCC1 531683286 CWYZZWNFMJDDHF-UHFFFAOYSA-N 327.793 1.877 0 40 EDAB CCO[C@H]1CC[C@H]2[C@@H]1OCCN2S(=O)(=O)c1cccc(C)c1 97953677 HFKYROOICYMTHL-JYJNAYRXSA-N 325.430 1.952 0 40 EDAB CCc1ccc(S(=O)(=O)N2Cc3nccn3C[C@@H](COC)C2)cc1 96187775 YKSIGFNUNLIZRI-OAHLLOKOSA-N 349.456 1.913 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@]2(CCCN(c3cccnc3)C2)C1 96226344 PYMAZPOKMOOSMZ-IBGZPJMESA-N 340.427 1.932 0 40 EDAB Cn1cc(CN2CCOC[C@@H]2c2nccc(N3CCCC3)n2)cn1 96217608 XMOOPSFLDQCJQZ-OAHLLOKOSA-N 328.420 1.384 0 40 EDAB Cc1cc(NC(=O)c2[nH]nc3c2CCC3)n([C@H]2CCS(=O)(=O)C2)n1 95472949 VNBJGYVDOVTZTB-JTQLQIEISA-N 349.416 1.015 0 40 EDAB CCc1oc(C(=O)OC)cc1Cn1c(-c2ccccn2)noc1=O 96455720 ZXPWRLYKLOOXSA-UHFFFAOYSA-N 329.312 1.889 0 40 EDAB Cc1cc(C(=O)N2C[C@@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)no1 96042518 SAGUKZBSCRGFHX-ZACQAIPSSA-N 343.383 1.967 0 40 EDAB Cn1cc(C(=O)N2CCO[C@@H]3CN(Cc4cccs4)C[C@@H]3C2)cn1 96108083 HSPIYPSENJMCKH-GDBMZVCRSA-N 346.456 1.455 0 40 EDAB C[C@H](CN1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(F)cc1 97103865 YMUSATPZHCKALZ-MRXNPFEDSA-N 349.450 1.406 0 40 EDAB CC(=O)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3nccs3)C[C@@H]21 96182818 FNGJWCFJCOSVHI-KFWWJZLASA-N 348.472 1.091 0 40 EDAB Cn1ccnc1CN1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 96239714 BMZLQFMSJLKHQS-MRXNPFEDSA-N 348.401 1.948 0 40 EDAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)N1CCOCC1 96574539 HDKJUJMVCGTHEL-JLHYYAGUSA-N 332.381 1.582 0 40 EDAB Cc1cc(CN2CCn3cc(CC(=O)NC4CC4)nc3[C@@H]2C)no1 247883126 CMGYZBGANONEFD-LBPRGKRZSA-N 329.404 1.577 0 40 EDAB COc1ccccc1CC(=O)N1CCOC[C@@H]1c1cc(O)nc(C)n1 257216112 CTDDEPFYXGJNAE-OAHLLOKOSA-N 343.383 1.642 0 40 EDAB CC[C@@H]1C(=O)NCCN1C[C@@H](CC(F)F)NC(=O)OC(C)(C)C 585117517 JEZKGQJPZUAVOE-GHMZBOCLSA-N 335.395 1.745 0 40 EDAB CCOC(=O)[C@]1(F)CN(CCO[C@@H]2CCCCO2)CC12COC2 585116064 GAEMKZDJMCNPAB-CZUORRHYSA-N 331.384 1.133 0 40 EDAB CCN1CCC(N2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)CC1 257212276 CCQCWMJPNOZFPG-GFCCVEGCSA-N 326.466 1.087 0 40 EDAB Cc1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccc(F)cn3)C2)no1 257319329 VRXOLNFBKFSFEI-KRWDZBQOSA-N 348.378 1.621 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)CCn3ccnc3)CCO2)ncn1 257207102 BGIZRHFDVJDOKY-INIZCTEOSA-N 329.404 1.232 0 40 EDAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 253369820 IKKRSSPJORZFHD-XGUBFFRZSA-N 347.463 1.293 0 40 EDAB CC(C)n1nccc1C(=O)N(C)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257244431 ILHCLFNEPXPFEA-BFYDXBDKSA-N 334.464 1.914 0 40 EDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3c(C)noc3C)C2)ncn1 257285477 PHFVWLLGFVMGHW-QGZVFWFLSA-N 345.403 1.103 0 40 EDAB COc1ccc(NC(=O)[C@]23C[C@H]2CCN(C)S3(=O)=O)cc1OC 260832478 KBVNOPOAQGRCNV-BMIGLBTASA-N 340.401 1.066 0 40 EDAB Cc1cc(F)ccc1CCNC(=O)[C@](C)(O)Cn1c(C)cccc1=O 280547872 ZXEDMZFWOXRQAQ-LJQANCHMSA-N 346.402 1.714 0 40 EDAB CC1(C)[C@@H](NS(=O)(=O)c2cc(F)cc(Cl)c2)CS1(=O)=O 606445183 QTFKCMXQUQJHTB-JTQLQIEISA-N 341.813 1.333 0 40 EDAB CN1CCc2cc([C@@H](O)CNS(=O)(=O)c3cccs3)ccc21 96362593 OBRIAXIEOXYIGH-AWEZNQCLSA-N 338.454 1.752 0 40 EDAB CCOCC[C@@H]1CN(CCS(=O)(=O)CC)Cc2cccn2C1 585095030 AMYQAFKALCMHLE-OAHLLOKOSA-N 328.478 1.781 0 40 EDAB CO[C@]1(CCC(N)=O)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 585279263 VSPYTMLENYBMOJ-KRWDZBQOSA-N 334.372 1.302 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)CCn1cnc2ccccc21 585279570 VUXBEYXMXYHVJQ-GOSISDBHSA-N 344.415 1.309 0 40 EDAB COc1ccc2cc(CN3CCN(C)C[C@H](C(N)=O)C3)ccc2c1 585182342 WCLNYQCDAOUYPQ-KRWDZBQOSA-N 327.428 1.697 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)Cc2cnc[nH]2)CCO1 585276146 MKXXCVGOXIMWQP-SFHVURJKSA-N 329.400 1.093 0 40 EDAB O=C(CCC(=O)N1CC[C@]2(CCCO2)C(=O)C1)Nc1nccs1 585288654 GUXAYKVMSVFEQP-OAHLLOKOSA-N 337.401 1.212 0 40 EDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)CN2CCOCC2)cc1 585277362 SSOBAJGSEKIFJR-ROUUACIJSA-N 332.444 1.222 0 40 EDAB Cc1ccc(OC[C@]2(O)CCN(C(=O)c3ccn(C)c(=O)c3)C2)cc1 585277040 RSLCEZDSWIPNHH-IBGZPJMESA-N 342.395 1.350 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585275263 BLJHYOONANQOFF-KRWDZBQOSA-N 331.347 1.062 0 40 EDAB O=C(C1CC(F)C1)N1C[C@H]2OC[C@H](CC(=O)N3CCCCO3)[C@H]2C1 585108417 IXWNMTSTXRBXEO-FWJBWGTRSA-N 340.395 1.152 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cnn(C)c3)n2)C1 44817743 RPVLUGXRHGQUAG-NSHDSACASA-N 348.428 1.959 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)c1cn(C)c2ccccc12 48962697 NMAAQPQBRXRBMT-UHFFFAOYSA-N 337.445 1.580 0 40 EDAB Cn1c(CN2CCN(CC(=O)NC(C)(C)C)CC2)nc2ccccc21 49372151 XKVBYUQGACGXGQ-UHFFFAOYSA-N 343.475 1.606 0 40 EDAB C[C@H](Cc1ccccc1F)NC(=O)CCc1nc(-c2nc[nH]n2)no1 58332798 USWSAAAQWYCSLO-SNVBAGLBSA-N 344.350 1.674 0 40 EDAB CCn1ccnc1CN1CCN(CC(=O)N[C@H](C)c2ccco2)CC1 69436870 FUOPDLKGJDOPPD-OAHLLOKOSA-N 345.447 1.491 0 40 EDAB COc1cc(C(=O)N[C@H]2CC(=O)N(C)C2)ccc1OC1CCCC1 69653397 QSVRTSVNGNJCAQ-ZDUSSCGKSA-N 332.400 1.977 0 40 EDAB CC(C)Cc1noc(CNc2ccccc2C(=O)NCCC(N)=O)n1 69600066 ZJERYZKDFIBEPC-UHFFFAOYSA-N 345.403 1.485 0 40 EDAB C[C@H](NC(=O)c1ccc(-n2cccc2)c(F)c1)C(=O)N1CCOCC1 69772491 WZODXUPANXWWFB-ZDUSSCGKSA-N 345.374 1.594 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)NCCCOCc2ccco2)[C@@H]1OC 95942773 JHOUZTPOZAIGNG-KFWWJZLASA-N 326.393 1.678 0 40 EDAB CN(CCCN(C)C(=O)c1ccc(C(N)=O)cc1)Cc1ccncc1 517052491 AYSJDJOXBQZUEL-UHFFFAOYSA-N 340.427 1.775 0 40 EDAB Cc1cc(Br)ccc1C(=O)N[C@@H]1CCC(=O)NC1=O 89753942 BJBWXFAYVXVQDZ-SNVBAGLBSA-N 325.162 1.293 0 40 EDAB CN(C)Cc1nc(CNC(=O)N2CC(O)(c3ccccc3)C2)co1 1615057583 UDDMTCSEPDHLBC-UHFFFAOYSA-N 330.388 1.149 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)c2cncc(O)c2)CCO1 1615143161 HZPJXHRVYOEANI-LJQANCHMSA-N 342.395 1.542 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)NCCc3nncs3)ccc12 1615586336 MRZMYINZLZCGON-UHFFFAOYSA-N 345.380 1.691 0 40 EDAB Cc1c(Br)c(C(=O)NCCc2cn(C)cn2)nn1C 1615612312 FKDBBYXDJUADIK-UHFFFAOYSA-N 326.198 1.197 0 40 EDAB COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(C)cc1=O 12449755 LHOJSFJJDNUUNS-UHFFFAOYSA-N 330.340 1.210 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C(C)C 12695131 MRGVPWCOGWPPDF-CMPLNLGQSA-N 325.434 1.143 0 40 EDAB Cc1ccc([C@@H](Cc2ccsc2)NS(=O)(=O)c2ncn[nH]2)nc1 19215664 PCDQPOFTVZJJJR-CYBMUJFWSA-N 349.441 1.832 0 40 EDAB CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1 19448208 MIDRLMPMCGXYRW-HNNXBMFYSA-N 330.432 1.610 0 40 EDAB CN1CCN(C(=O)[C@@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)CC1 19589703 OGUYOGIGFGLAEX-PRIDNEQBSA-N 340.423 1.821 0 40 EDAB Cc1nc(C)c(C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)s1 225445322 XBWHNLNLZAPILK-GFCCVEGCSA-N 347.444 1.909 0 40 EDAB O=S(=O)(c1cscn1)N1CCC[C@H](c2nnc3ccccn23)C1 521396209 LLUPSOJBZUGAMA-NSHDSACASA-N 349.441 1.754 0 40 EDAB CNCC(=O)N1CCC[C@H]1c1cc(Nc2ncccn2)nc(C)n1 257233765 GQQBVDNTSGLYGC-ZDUSSCGKSA-N 327.392 1.202 0 40 EDAB COc1cc(OC)nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1 1888913673 ROWYXGAZMPERBS-NEPJUHHUSA-N 328.372 1.279 0 40 EDAB Cc1cc(C)cc(OCC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1 29205718 KELQUNKOQRIBKX-AWEZNQCLSA-N 340.445 1.222 0 40 EDAB CCOC(=O)CNC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 245053466 OVTZAZAAMFXHTG-UHFFFAOYSA-N 342.779 1.586 0 40 EDAB CCCn1nccc1C(=O)N1CCO[C@@]2(CCCCN(C)C2=O)C1 2037985421 JLSJFPRJUPJXRJ-KRWDZBQOSA-N 334.420 1.147 0 40 EDAB Cc1nn(C)cc1C(=O)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223459 MUTIVABRRDCPPT-IRXDYDNUSA-N 332.448 1.444 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccc1Cl 424148 RHIMZFQKYNVOKC-UHFFFAOYSA-N 343.770 1.660 0 40 EDAB O=C1C[C@H](NS(=O)(=O)c2ccccc2)CN1c1ccc(F)cc1 5222185 LWLVFKOQGCCGOT-ZDUSSCGKSA-N 334.372 1.910 0 40 EDAB CS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3ccno3)o2)cc1 11025815 PQDJYMMYLKGMIZ-UHFFFAOYSA-N 348.340 1.309 0 40 EDAB O=C(NCc1ccncc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 16848224 UZPNMXBWEWTAGG-UHFFFAOYSA-N 338.342 1.756 0 40 EDAB COCCSc1nnc(NC(=O)c2cn(C)nc2OC)s1 21011163 YDUOWLRFBXPHEF-UHFFFAOYSA-N 329.407 1.271 0 40 EDAB COC(=O)c1ccc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)cc1 618256324 QXYZGUYLTOLVKD-UHFFFAOYSA-N 347.415 1.597 0 40 EDAB O=C(CNC(=O)c1ccccc1)N[C@H](Cc1ccccc1)C(=O)O 2036138 CCLJGZGVIQBNDH-OAHLLOKOSA-N 326.352 1.229 0 40 EDAB biogenic c1cc(N2CCOCC2)ncc1CNCc1ccc2c(c1)OCCO2 30636585 PYXRCWXDXNRNBB-UHFFFAOYSA-N 341.411 1.979 0 40 EDAB COc1ccccc1NC(=O)COC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646864 CHRPYWHMAGFTPE-LWAVZIJFSA-N 345.351 1.375 0 40 EDAB Cc1ccc(CNC(=O)Nc2ccc(N3CCOCC3)nc2)cn1 40540779 OQXXDDWDTNVMOM-UHFFFAOYSA-N 327.388 1.943 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)Cn3cncn3)c12 40539804 SMNGYAWNVDHYCO-VIFPVBQESA-N 326.360 1.819 0 40 EDAB Cc1nc(C(=O)N2CCC(CC(N)=O)CC2)nn1-c1ccc(F)cc1 40542632 RLONQYCFDQTKEL-UHFFFAOYSA-N 345.378 1.442 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N(Cc2ccncc2)C2CC2)c1 40512843 MZVIJLCKAMBKOB-UHFFFAOYSA-N 345.424 1.795 0 40 EDAB Cc1noc(C)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 32249990 OJRMCJUXESXFJG-MRXNPFEDSA-N 329.400 1.922 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 45859626 HHIBMFMPTYBWLC-GFCCVEGCSA-N 334.401 1.920 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NCCCc2nc(C3CC3)n[nH]2)cc1 69873716 AFCIJQLBLXHJBI-UHFFFAOYSA-N 348.428 1.448 0 40 EDAB CC(=O)NC1(C(=O)N2CCC[C@H]2Cn2cccn2)CCC(C)CC1 69895657 OSKBFUMJTRGOJN-HQVVEAJESA-N 332.448 1.959 0 40 EDAB CC(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 46237586 CAOJVWFUPAXKJA-HNNXBMFYSA-N 329.400 1.120 0 40 EDAB COC(=O)C1=NC(=N)N=C(C(=O)OC)C1(C)C(=O)c1ccccc1 1588101 GFGFGRUQIFIODA-UHFFFAOYSA-N 329.312 1.052 0 40 EDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2C(=O)O)c1 2638129 COULNJKXIDQREF-JTQLQIEISA-N 347.776 1.666 0 40 EDAB CCCn1c(SCC(=O)NCCOC)nnc1-c1ccncc1 4800158 YVZTYBMTWDBFFR-UHFFFAOYSA-N 335.433 1.605 0 40 EDAB Cc1oc(-c2ccccc2)nc1C(=O)NCC1(C(N)=O)CCOCC1 52743015 ZDPAENSDQYUBES-UHFFFAOYSA-N 343.383 1.662 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)NC(N)=O 7477676 LOCQIRNOPMDXGN-LLVKDONJSA-N 330.344 1.229 0 40 EDAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC[C@@H](C)O)o2)c1 7540606 RUUIJIFKDCYZNS-LLVKDONJSA-N 347.367 1.990 0 40 EDAB C[C@H](C(=O)NCc1ccccc1)N1CCC(O[C@H]2CCOC2)CC1 84001213 PBFKIADEHNXVPD-QAPCUYQASA-N 332.444 1.961 0 40 EDAB c1cncc(COC[C@@H]2CN([C@H]3CCOC3)Cc3ccnn3C2)c1 107777058 CPGHBHZXYMCMML-AEFFLSMTSA-N 328.416 1.716 0 40 EDAB CCc1nn2c(=O)cc(CNc3ccccc3C(N)=O)nc2s1 22803897 OWDZHDRAIWDFEB-UHFFFAOYSA-N 329.385 1.424 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccnc1-n1cncn1 22978542 LWOMEPUIOKVOFG-OCCSQVGLSA-N 343.387 1.514 0 40 EDAB COC[C@H](C)NC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 104697009 YLBLBPUMLPPZKE-AJNGGQMLSA-N 336.432 1.503 0 40 EDAB CC(C)(C)N1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 71818503 SOULFSMSMJFTSX-MRXNPFEDSA-N 342.447 1.400 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1 12585395 UFFUKNBFTOMOGA-UHFFFAOYSA-N 329.385 1.986 0 40 EDAB COc1c([C@@H]2CCCN2CC(=O)N2CCO[C@H](C)C2)c(C)nn1C 75605330 OKFVEQRLJHDZAC-OCCSQVGLSA-N 336.436 1.121 0 40 EDAB Cc1csc(N2CCN([C@H](C)C(=O)Nc3ncccn3)C[C@H]2C)n1 106775761 FBOUGAWCTIDFMJ-CHWSQXEVSA-N 346.460 1.779 0 40 EDAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCO2)CC1 34857724 XXIXJTWYESTJOW-AWEZNQCLSA-N 344.864 1.825 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)c2c[nH]c3ccc(OC)cc23)CC1 19939815 AMSQDMRRLDRAGQ-KRWDZBQOSA-N 347.415 1.984 0 40 EDAB O=C(C[C@H]1C(=O)NC(=O)N1Cc1ccccc1)NCc1ccccc1 19941798 MBEUQEYDXOJNRR-INIZCTEOSA-N 337.379 1.814 0 40 EDAB Cn1nc(C(=O)NCCc2cn3ccccc3n2)c2ccccc2c1=O 25525340 QBRVJGKEECDNRT-UHFFFAOYSA-N 347.378 1.554 0 40 EDAB O=C(CN1CCC[C@@H]1c1noc(C2CC2)n1)NCc1cccnc1 76047688 XMWZUVLZLGWSMZ-CQSZACIVSA-N 327.388 1.795 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)c2ccnc(N(C)C)c2)cc1F 47991493 IOGXVEUYTCYFOK-UHFFFAOYSA-N 344.390 1.755 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CSCN1C(=O)[C@@H]1C[C@@H]1c1ccco1 108069668 CTTVQGZAZQYTLF-AEJSXWLSSA-N 348.346 1.963 0 40 EDAB COc1ccccc1N1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 26807996 OTCMIUMNDHEAAX-UHFFFAOYSA-N 346.431 1.148 0 40 EDAB Cc1cccc(NC[C@H]2CCN(Cc3cc(=O)n4nccc4[nH]3)C2)n1 108858390 HPDRKQINRPDCNZ-CQSZACIVSA-N 338.415 1.660 0 40 EDAB C[C@@H](Nc1ccc2c(c1)CCO2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 57896105 IQJKGCRNRLVBKC-BXUZGUMPSA-N 338.429 1.067 0 40 EDAB Cc1nccn1-c1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1F 58244574 WEZPWIITILTHIT-UHFFFAOYSA-N 327.319 1.666 0 40 EDAB CCCNC(=O)NC(=O)CNc1ccc(C(=O)N2CCCC2)cc1C 58294852 GJMXXGXDAMUNQC-UHFFFAOYSA-N 346.431 1.879 0 40 EDAB CC(=O)N1CCCN(C(=O)NC[C@@H](C)Cn2nc(C)cc2C)CC1 44971721 QESSTXNPQCYFLW-CYBMUJFWSA-N 335.452 1.400 0 40 EDAB C[C@H](c1nc(C(C)(C)C)no1)S(=O)(=O)CC(=O)N1CCCC1 44938762 RYCZAELUUFKNEO-SNVBAGLBSA-N 329.422 1.465 0 40 EDAB CCN1C(=O)C(=O)N(CC(=O)Cc2c(F)cccc2Cl)C1=O 44978176 QVIUUBMCVUZWFV-UHFFFAOYSA-N 326.711 1.401 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)NCCC(=O)Nc1ccccn1 44977740 RRZARSKUAKUWPR-UHFFFAOYSA-N 329.404 1.510 0 40 EDAB CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@@H](C(N)=O)c1ccccc1 58342512 DXCVOZQCBOKPAT-NWNNTGRJSA-N 338.363 1.933 0 40 EDAB O=c1[nH]ncc(NC[C@H](c2cccs2)N2CCOCC2)c1Cl 58342204 IOPUNRPOSNVRHA-LLVKDONJSA-N 340.836 1.970 0 40 EDAB O=C(NCc1ccc(O)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 58394173 NZSHZKGBMHKBED-HNNXBMFYSA-N 331.416 1.936 0 40 EDAB Cc1ccc(S(=O)(=O)NC2CCNCC2)c(Br)c1 36286046 XJKZNTYXNNIFKC-UHFFFAOYSA-N 333.251 1.788 0 40 EDAB NC(=O)CCCNC(=O)CCCOc1ccccc1Br 48232746 JJQCIMHSDQXWRO-UHFFFAOYSA-N 343.221 1.990 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CN1CCCC1=O)c1ccc(Cl)cc1 48286208 IMYRSDKRCOSVAO-INIZCTEOSA-N 346.818 1.902 0 40 EDAB CNC(=O)C1CCN(C(=O)c2cccc(Nc3ncccn3)c2)CC1 48234960 UTGXNUFEFLFYPF-UHFFFAOYSA-N 339.399 1.818 0 40 EDAB COC(=O)C1CCN(C(=O)CN2CCC[C@@H]2c2cc(C)no2)CC1 48287065 YYGSAHYEUCPZJD-CQSZACIVSA-N 335.404 1.532 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 48314546 YVQXDVBIFSPPKD-CHWSQXEVSA-N 339.461 1.782 0 40 EDAB CN(CC(=O)Nc1ccccc1Cl)Cn1nc2ccccn2c1=O 12914097 INWMYYLMHPHPEH-UHFFFAOYSA-N 345.790 1.677 0 40 EDAB C[C@H](Nc1cccc2c1CCCC2)C(=O)N[C@H]1CCS(=O)(=O)C1 8747477 KOKDQIUIQSSHGI-JSGCOSHPSA-N 336.457 1.669 0 40 EDAB CN(c1ccccc1F)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 78535903 ZZESGKJEHWATGF-UHFFFAOYSA-N 334.328 1.534 0 40 EDAB O=C(CN1C(=O)CSC1=O)Nc1ccc(N2CCOCC2)cc1 4093294 OEBSTKZXMDTFCT-UHFFFAOYSA-N 335.385 1.157 0 40 EDAB CC[C@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)O 4062081 DGTCRFIPTQTOCR-LBPRGKRZSA-N 333.340 1.637 0 40 EDAB biogenic CC(C)CNC(=O)C1CCN(C(=O)CNC(=O)c2ccccc2)CC1 13690515 PVFZXBKFUSCXFX-UHFFFAOYSA-N 345.443 1.427 0 40 EDAB CSc1cccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 65594558 STZXLFDYDNDZGY-GFCCVEGCSA-N 343.474 1.954 0 40 EDAB COc1ccc(CC(=O)N[C@@H](C)c2nnc3n2CCC3)c(OC)c1 65591681 QCBMVJRUYMSMAV-NSHDSACASA-N 330.388 1.661 0 40 EDAB O=C(C[C@H](CN1CCC(O)CC1)C(=O)O)Nc1ccc(Cl)cc1 71284349 WKDQGYRPKFHBNN-LLVKDONJSA-N 340.807 1.826 0 40 EDAB CC(=O)N[C@@H](C)C(=O)NC1(C(=O)Nc2ccc(C)cc2)CCCC1 4568323 HYJSOIWDXQCRCO-ZDUSSCGKSA-N 331.416 1.887 0 40 EDAB COc1ccc(S(=O)(=O)Cc2nnnn2-c2ccc(F)cc2)cc1 9183763 ZFBCRYYVEPSFRW-UHFFFAOYSA-N 348.359 1.784 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 66310046 KCSLQAJKWWWPLG-JQFCIGGWSA-N 346.427 1.399 0 40 EDAB CS(=O)(=O)NCCC(=O)NCC1(c2ccc(Cl)cc2)CC1 66756336 NNJHQPKLBDXTNO-UHFFFAOYSA-N 330.837 1.427 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)[C@H]1CCCN(C)C1 96009933 BTOGNSIZYAJRBD-HNNXBMFYSA-N 342.509 1.871 0 40 EDAB COCCN(C)CCNC(=O)N1CCO[C@H](c2ccccc2F)C1 67421261 SHCWBAFBCPOEPG-INIZCTEOSA-N 339.411 1.487 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)NCCC12CC3CC(CC(C3)C1)C2 15532791 IDHZYQAXBYIGHL-UHFFFAOYSA-N 331.416 1.259 0 40 EDAB C[C@H]1CN(C(=O)CCNCc2cnn(-c3ccccc3)c2)C[C@@H](C)O1 71837106 PSAFQKOZJHAWGE-IYBDPMFKSA-N 342.443 1.988 0 40 EDAB CS(=O)(=O)NCCCN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 71892921 JSRMPOHPVPFZIC-CYBMUJFWSA-N 336.461 1.682 0 40 EDAB Cc1cc(C)n(C2CN(CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)n1 71880712 MTIYMJZQTABBGA-IRXDYDNUSA-N 332.448 1.527 0 40 EDAB CCn1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 8191754 SKLZHCLYGHKBSZ-UHFFFAOYSA-N 346.416 1.316 0 40 EDAB O=C(NCCNc1nnnn1-c1ccccc1)C1(c2ccccc2)CC1 70018624 MDFNTADOPONVQC-UHFFFAOYSA-N 348.410 1.922 0 40 EDAB COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc(OC)c1OC 17028132 MWZJDMYABUBIQP-SNVBAGLBSA-N 345.355 1.578 0 40 EDAB Cc1cc(C(=O)N2CCCC[C@@H]2C2OCCO2)c2c(C)nn(C)c2n1 69415943 MCNLKEWYWAIUMV-CQSZACIVSA-N 344.415 1.953 0 40 EDAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCO[C@H](Cn2cccn2)C1 69414717 FPDBFPPPZDAUHM-OCCSQVGLSA-N 349.822 1.660 0 40 EDAB COc1ccc(CC2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)cc1 69532305 JQZVJLGPCZXNQH-MRXNPFEDSA-N 330.428 1.955 0 40 EDAB CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)CC1 69568156 RYPPKDQMYCRXST-UHFFFAOYSA-N 343.349 1.985 0 40 EDAB C[C@H](NC(=O)NCCC(=O)N1CCCC[C@@H]1C)C(=O)NC(C)(C)C 69776366 ISBNZMFIVIHCEK-STQMWFEESA-N 340.468 1.380 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)C1 97015720 DAJVZWDGCONGEX-ZFWWWQNUSA-N 325.434 1.511 0 40 EDAB CN1CCN(CCCN(C)C(=O)Nc2cnc(C3CC3)nc2)CC1 97048697 WPUHCHCRTSSDQF-UHFFFAOYSA-N 332.452 1.455 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CN(Cc2ccccc2)CCO1 72294650 APOPXUQZADLRDQ-IAGOWNOFSA-N 340.427 1.215 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(CCOc2ccccc2)C1 84281218 PSZDJTTWQVRTHT-INIZCTEOSA-N 344.415 1.880 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCCO 97219713 HJLVKMGNKRPIKC-GFCCVEGCSA-N 326.780 1.062 0 40 EDAB COc1ccc(NC(=O)Cn2cc(-c3ccccc3)ncc2=O)cn1 72405956 DRNCMWRSGAAXHG-UHFFFAOYSA-N 336.351 1.953 0 40 EDAB C[C@H]1CN(CCNC(=O)c2cccc(-n3cccn3)c2)C[C@@H](C)O1 95397994 VGSBTCYGWYZPTK-GASCZTMLSA-N 328.416 1.711 0 40 EDAB NS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCc3occc32)cc1 95351066 XMJDLOWTDANKQU-AWEZNQCLSA-N 334.397 1.663 0 40 EDAB O=S(=O)([C@@H]1CCOC1)N1CCCN(CC2CCCCC2)CC1 95398587 VZSWKMJRSDFJLW-MRXNPFEDSA-N 330.494 1.693 0 40 EDAB CC[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@@H]1N(C)C 84735568 NSOWDLVAVIQYBX-HOCLYGCPSA-N 343.427 1.902 0 40 EDAB CO[C@@H]1CCCCC[C@H]1NCc1cnc(N2CCN(C)CC2)nc1 95416703 PSQUBRRCKPDNPH-IAGOWNOFSA-N 333.480 1.666 0 40 EDAB Cc1ccc(-c2ocnc2C(=O)N[C@H]2CCCN(CC(N)=O)C2)cc1 95401895 SUSYOCAGUJNCQG-AWEZNQCLSA-N 342.399 1.330 0 40 EDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cn1ncc3ccccc31)CC2 95400585 NVUZQPLGFDRSAM-SJORKVTESA-N 343.427 1.815 0 40 EDAB C[C@H]1CCCN(C(C)(C)CNC(=O)CNC(=O)c2cccc(O)c2)C1 95945649 WDDMHHAPLADCOK-AWEZNQCLSA-N 347.459 1.749 0 40 EDAB C[C@H]1[C@@H](C)OCCN1C(=O)Nc1cc(Br)c(=O)n(C)c1 95995589 HJPWYFBUEMAAEC-DTWKUNHWSA-N 344.209 1.789 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1CC(=O)N(C)C 95999818 IATNRZXSBNIKPK-QGZVFWFLSA-N 342.443 1.951 0 40 EDAB CC[C@H](C)CS(=O)(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 95986785 QJLFTAKGRDJMJU-GZBFAFLISA-N 328.478 1.838 0 40 EDAB CCOCCCNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 409112219 FLADMDUOEPUOSE-UHFFFAOYSA-N 328.434 1.304 0 40 EDAB COCC(=O)N1CCC[C@@H](c2ccnc(Nc3cncnc3)n2)C1 72377816 IOYWZNASOYOGMD-GFCCVEGCSA-N 328.376 1.363 0 40 EDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)NCc2ccco2)C1 4776333 HHQCQLQBOXVYPS-QWHCGFSZSA-N 329.425 1.935 0 40 EDAB CCc1oc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCCN3)C2)cc1C 122161569 CUQLOLXRFIPLMG-CABCVRRESA-N 347.459 1.871 0 40 EDAB Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(CC(N)=O)C1 72383601 LMIVLYDWMIKYBZ-CYBMUJFWSA-N 327.388 1.637 0 40 EDAB O=C(C[C@@H](CN1CCOCC1)C(=O)O)Nc1ccc2cc[nH]c2c1 72404046 CQRASZFAQZZFFX-ZDUSSCGKSA-N 331.372 1.530 0 40 EDAB CNc1cc(Nc2nccc([C@H]3CCCN(CCOC)C3)n2)ncn1 72377556 TTWGTQNMRMMGEN-ZDUSSCGKSA-N 343.435 1.878 0 40 EDAB O=C1N[C@@]2(CCCN(C(=O)c3cscn3)C2)Oc2ccccc21 72347573 ONPHHXTUAKHYNP-INIZCTEOSA-N 329.381 1.898 0 40 EDAB CCSc1nc2n(n1)[C@H](c1cn(C)nc1C)C(C(=O)OC)=C(C)N2 36621306 VOAZTWQCJTUCFE-GFCCVEGCSA-N 348.432 1.894 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)C[C@H](O)CN2CCCCC2)cc1 31903756 WIXHTFAOKBUDIB-HNNXBMFYSA-N 326.462 1.462 0 40 EDAB Cc1noc(CCCNC(=O)C(=O)Nc2ccc(F)cc2Cl)n1 77837367 ZSEACXDXIKOGGN-UHFFFAOYSA-N 340.742 1.858 0 40 EDAB COC(=O)c1ccc(OC)c(NC(=O)c2nccnc2C(=O)O)c1 72402058 DCUVZGMLSGVMIJ-UHFFFAOYSA-N 331.284 1.222 0 40 EDAB Cc1noc(CCCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)n1 77837489 OYKJOSWIDAOGBO-UHFFFAOYSA-N 340.742 1.858 0 40 EDAB CC(C)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217629490 MGIXMWCGHJXYFU-NSHDSACASA-N 342.417 1.662 0 40 EDAB O=C(NCc1ccc(C2CC2)cc1F)[C@H]1CCc2nnnn2CC1 573732834 WOQLBGBMBOWDBG-LBPRGKRZSA-N 329.379 1.959 0 40 EDAB Cc1cccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)c1 224273500 NJZBXSHWRMYALT-UHFFFAOYSA-N 334.401 1.422 0 40 EDAB COc1cc2nc(CN3CCC(CO)CC3)[nH]c(=O)c2cc1OC 48354791 YSADMPQLROXOKZ-UHFFFAOYSA-N 333.388 1.145 0 40 EDAB COc1ccc(Br)c(C(=O)N[C@H]2C[C@@H](O)[C@@H](CO)C2)c1 85468464 RTXLOMVHAQYKLY-JRKPZEMJSA-N 344.205 1.319 0 40 EDAB O=C(Cc1cccnc1)N1CCC[C@@]2(CCN(C[C@@H]3CCOC3)C2)C1 96158230 JHRBPOVCHQZQNP-ICSRJNTNSA-N 343.471 1.975 0 40 EDAB Cc1cnc([C@H](NS(=O)(=O)c2c(N)noc2C)C2CC2)s1 576659184 FLVBGSNQONVTNO-SECBINFHSA-N 328.419 1.760 0 40 EDAB C[C@@H]1CS(=O)(=O)CCN1Cc1cn(-c2ccc(Cl)cc2)nn1 96466216 SECGYAHMUJUUPN-LLVKDONJSA-N 340.836 1.540 0 40 EDAB CCC1=N[C@@]2(CC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)C(=O)N1CC(C)C 96261689 VTRVYAOVLUJZCB-DVOMOZLQSA-N 341.477 1.333 0 40 EDAB CN(Cc1cccnc1)[C@H]1CCN(C(=O)c2ccco2)[C@H](C(=O)O)C1 96069112 ZNBFTOFOSAWBJH-GJZGRUSLSA-N 343.383 1.864 0 40 EDAB Cc1ccc(CC(=O)N2CCC[C@]3(C(=O)O)CN(C)C[C@@H]3C2)cc1 96185153 WUPOLJYFPPNONL-APWZRJJASA-N 330.428 1.793 0 40 EDAB COC(=O)CNC(=O)c1c(C)cccc1I 96475986 FTQCWOOPFQUKJV-UHFFFAOYSA-N 333.125 1.502 0 40 EDAB CCOC[C@H]1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)C1 96436547 RFEQSASTZCUYEN-KRWDZBQOSA-N 346.475 1.479 0 40 EDAB O=C(CCNc1ncccn1)Nc1nc(CCc2ccccc2)n[nH]1 95476845 MMUPWAOVUFNQQX-UHFFFAOYSA-N 337.387 1.821 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)c3ccc[nH]3)C2)CC1=O 96077936 LQBPMUPKIWAJTH-GOSISDBHSA-N 342.399 1.884 0 40 EDAB Cc1noc(C)c1CN1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 96040801 LSXNLSHVHOZLEH-BMFZPTHFSA-N 335.404 1.150 0 40 EDAB CCN(CC(=O)N1CCN(Cc2ccc(Cl)cn2)CC1)C1CC1 96502485 VHKAIJSYKKVGFN-UHFFFAOYSA-N 336.867 1.864 0 40 EDAB O=C(c1ccncn1)N1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 96042551 GCKFBFKTGIRYSD-ZACQAIPSSA-N 340.383 1.460 0 40 EDAB Cc1cc(N(C)C)nc(NCCNC(=O)c2sc(C)nc2C)n1 42380931 OENTWVOIHYCUAG-UHFFFAOYSA-N 334.449 1.766 0 40 EDAB Cc1nc(CC(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)cs1 257314470 UXDIPXAGFNCPSO-INIZCTEOSA-N 332.429 1.147 0 40 EDAB C[C@@]1(O)CCN(C(=O)Cn2cccn2)C[C@H]1Oc1cccc(F)c1 257241492 HYFPWVNNTXYFDJ-NVXWUHKLSA-N 333.363 1.453 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(Cc3c(C)nn(C)c3C)CC[C@H]21 257332924 XZJCBDFKKTWSIP-FUHWJXTLSA-N 348.491 1.886 0 40 EDAB CC(C)C[C@H](CNC(=O)c1ccn(C)n1)CC(=O)O[C@@H]1CCOC1 585125988 KKZXJIBKMUYUHV-UONOGXRCSA-N 337.420 1.534 0 40 EDAB CCn1ccc(NC(=O)C[C@H]2CCCN(C(=O)c3c[nH]c(O)n3)C2)n1 257270592 MUWCXFICJUNYLX-LLVKDONJSA-N 346.391 1.213 0 40 EDAB CCC(=O)Nc1ccc(NC(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)cc1 284473544 BIJUKFNWRVJEES-UONOGXRCSA-N 348.447 1.954 0 40 EDAB COc1c[nH]c(C(=O)Nc2n[nH]c(COc3ccccc3)n2)cc1=O 604418652 VAOHIUCNABDWBD-UHFFFAOYSA-N 341.327 1.333 0 40 EDAB Nc1cc(F)c(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1Cl 1615586878 QRMUKQGOCVEMHL-HUUCEWRRSA-N 341.814 1.733 0 40 EDAB O=C(NCCn1cnc(C2CC2)cc1=O)c1cc(-c2ccccc2)[nH]n1 390827626 IJFXKNSCAARPFS-UHFFFAOYSA-N 349.394 1.941 0 40 EDAB Cc1noc([C@@H](C)NS(=O)(=O)Cc2cccc(C(=O)O)c2)n1 569452669 MOTHTNWOJPRSTI-MRVPVSSYSA-N 325.346 1.257 0 40 EDAB COc1ccccc1N1CC[C@@H](N2CCc3cnn(C)c3C2)C1=O 585141233 RNSRXKXEMIZIPO-OAHLLOKOSA-N 326.400 1.592 0 40 EDAB CS(=O)(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21 585112812 VOIDNFJPHJZWQF-OAHLLOKOSA-N 338.408 1.128 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)/C=C/c3cnc[nH]3)CC[C@H]21 585290977 JQOVHTFPRGXNAM-HMRWBYCRSA-N 346.431 1.299 0 40 EDAB CCOCc1nnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@H]2C 585097801 QHAPKGVXHSBVGK-NSHDSACASA-N 344.371 1.760 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2ccc(F)cc2F)C1 58014529 BZUHWLPIDVANOZ-JTQLQIEISA-N 333.360 1.510 0 40 EDAB Cn1cnnc1CC1CCN(c2ncc(Br)cn2)CC1 1548523333 SZLYMIOYHITGHF-UHFFFAOYSA-N 337.225 1.827 0 40 EDAB Cc1ccc(CCC(=O)NCC(=O)NCCCN(C)C(C)C)cc1 69438225 NQGWBUNUICMTMX-UHFFFAOYSA-N 333.476 1.890 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCCN(c2cccnn2)CC1)C1CCCC1 69946981 RSDZLZHOVRTELX-QGZVFWFLSA-N 345.447 1.210 0 40 EDAB C[C@@H]1CCc2c(C(=O)N3CC[C@]4(C3)NC(=O)NC4=O)csc2C1 72290731 WZWIBGGOMYEXTG-JDNHERCYSA-N 333.413 1.297 0 40 EDAB O=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)C2CC2)CC1 96099477 LWUCVQHCBHIMTJ-UHFFFAOYSA-N 347.433 1.556 0 40 EDAB Cc1nonc1CNC(=O)c1cccc(C(=O)N2CCCCC2)c1 1615614493 HUMNBWUBCSGHLA-UHFFFAOYSA-N 328.372 1.934 0 40 EDAB COC(=O)[C@@H]1CCc2nnc(-c3ccc(S(C)(=O)=O)cc3)n2C1 1616040611 WNUTWAPOEHKMFL-LLVKDONJSA-N 335.385 1.084 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cccc(OC)c2OC(C)C)C1=O 5006719 GDMNIIZZGLOOHE-XYOKQWHBSA-N 348.355 1.548 0 40 EDAB CCCn1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(OC)c3)nc21 12114174 IRHMIGOFLHCKNB-UHFFFAOYSA-N 327.344 1.304 0 40 EDAB Cc1cc2nc([C@H]3CCCN3C(=O)CCn3cnnn3)[nH]c2cc1C 19125357 BRFVCVRYWKSKMG-OAHLLOKOSA-N 339.403 1.920 0 40 EDAB CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C(C)=O)C2 19498833 YURVJLCWCDNJAH-CQSZACIVSA-N 332.404 1.138 0 40 EDAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(Cc2ccncc2)C1 19573270 UEGARQJEOHNWEF-GFCCVEGCSA-N 338.458 1.716 0 40 EDAB Cc1cc(S(=O)(=O)NCCNC(=O)C(F)(F)Cl)c(C)s1 153118457 ZCIUYWMUJYNGHO-UHFFFAOYSA-N 346.808 1.591 0 40 EDAB COC(=O)c1cc(S(=O)(=O)NC2CCN(C)CC2)ccc1Cl 156791001 PNFJTNZZOZZZCU-UHFFFAOYSA-N 346.836 1.499 0 40 EDAB C/C=C/C(=O)O[C@@H]1/C=C/[C@@H](O)[C@H](OC(C)=O)CCC(=O)O[C@@H]1C 35458798 GXBAKQFLYWSOJH-HFMQKNRDSA-N 326.345 1.049 0 40 EDAB biogenic,in-vitro COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(C)(C)OC(C)=O 225711314 SJYXJUHAIPXSPJ-SFHVURJKSA-N 335.400 1.677 0 40 EDAB NC(=O)C1CCN(C2CN(C(=O)Cc3ccc(Cl)cc3)C2)CC1 575607420 SYHPYQVIMITZSB-UHFFFAOYSA-N 335.835 1.291 0 40 EDAB O=C(NC[C@@H]1CCCO1)NC1CN(c2cc(C(F)(F)F)ccn2)C1 1888857051 ZGHQKFADBZQBMU-LBPRGKRZSA-N 344.337 1.767 0 40 EDAB CCN=c1ccnc(N2CCN(c3nc(C)nc4c3CCC4)CC2)[nH]1 1889095489 MVGCMNHNXLBBSB-UHFFFAOYSA-N 339.447 1.244 0 40 EDAB O=C(CN1CCC[C@@H](c2nc3ccccc3o2)C1)N1CCNC1=O 29825918 PGAQYXWTOZRUTH-GFCCVEGCSA-N 328.372 1.559 0 40 EDAB CN1CCN(Cc2cnc[nH]2)C[C@@H](Cc2ccnc3cccnc23)C1 2037838692 WLZHMJZDELCEMA-HNNXBMFYSA-N 336.443 1.959 0 40 EDAB CC(C)N(C)CC(=O)N[C@@H]1COCc2c1cnn2C1CCOCC1 1614941213 YRAFQPKPHJAYNY-OAHLLOKOSA-N 336.436 1.262 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)C3CC3)C[C@H]2O1 2055729860 UYRISYDNQMVGTO-USXIJHARSA-N 343.427 1.456 0 40 EDAB O=C(NCCc1ccncc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)C2CC2)C1 2055715946 NJGATBXZMVKIPN-GVDBMIGSSA-N 343.427 1.156 0 40 EDAB CC(C)CC(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772776 CDKPXFYOYNPRJQ-UHFFFAOYSA-N 332.448 1.773 0 40 EDAB COCC(=O)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1775975788 NZIJASWWBKYZIM-UHFFFAOYSA-N 330.363 1.578 0 40 EDAB Cc1ccn(-c2ccc(N3CCN([C@@H]4CCCC[C@@H]4O)CC3)nn2)n1 2298178393 BLPBDCVTRUJEGJ-CVEARBPZSA-N 342.447 1.396 0 40 EDAB CNS(=O)(=O)c1cc(C)cc(-n2nc3ccccc3n2)c1OC 40545021 RSYDBBBUYVUAFA-UHFFFAOYSA-N 332.385 1.646 0 40 EDAB COCCn1nc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1=O 30057003 PJQSWTHQOLEIIJ-AWEZNQCLSA-N 329.400 1.641 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)NCCN1CCOCC1 40488863 LAEQMRAQWIWBLD-UHFFFAOYSA-N 329.400 1.641 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2cc(-c3cccnc3)on2)C1 40544347 JDMIEPORHOWNCA-OAHLLOKOSA-N 344.415 1.823 0 40 EDAB O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCOCC1 342830 ZDUMJZBHVVJUAA-UHFFFAOYSA-N 346.408 1.960 0 40 EDAB COC(=O)CCCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32424699 MRJKWJPVJVYNCJ-OAHLLOKOSA-N 344.411 1.598 0 40 EDAB CN1C(=O)N(C)[C@@]2(c3ccccc3)NC(=N)NN[C@@]12c1ccccc1 2298728 QJKCPCXPWISPEK-MSOLQXFVSA-N 336.399 1.322 0 40 EDAB NC(=O)c1ccc(NC(=O)COC(=O)c2c(F)cccc2F)cc1 3397163 YTEFNXLKTDXYBG-UHFFFAOYSA-N 334.278 1.859 0 40 EDAB CC(=O)Nc1cccc(C(=O)OCC(=O)NC(=O)c2ccccc2)c1 4927672 SHIFCOJCZBWWIL-UHFFFAOYSA-N 340.335 1.758 0 40 EDAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2nncs2)c1 6680327 RVVCEJRBPZUXSM-UHFFFAOYSA-N 332.432 1.492 0 40 EDAB COc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N 530883 PLBJNJAKRQGYSP-UHFFFAOYSA-N 345.384 1.991 0 40 EDAB O=C(C[C@@H]1[C@@H]2CN(C(=O)Cc3ccccn3)C[C@@H]21)NCc1ccco1 107802016 DQRGDIGZGHPCJU-BJWYYQGGSA-N 339.395 1.628 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)CN1CCOCC1 46486322 RVUBHUFOFSUTOZ-AWEZNQCLSA-N 349.431 1.668 0 40 EDAB CCOC(=O)[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 53239294 SSCKBHWTUOBION-HOCLYGCPSA-N 346.427 1.915 0 40 EDAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCCn2cncn2)CC1=O 41862580 SDABOTUTQBDRDF-GOEBONIOSA-N 341.415 1.394 0 40 EDAB COc1cc2c(cc1/C=C/C(=O)N1CCC[C@@H](C(N)=O)C1)O[C@H](C)C2 7989646 GCIMHWCZAZZBDN-HGIUVPSYSA-N 344.411 1.756 0 40 EDAB O=c1[nH]c(=O)n(Cc2cc(Cl)c3c(c2)OCCO3)cc1Cl 81274117 XOZLWFNVHSMFIA-UHFFFAOYSA-N 329.139 1.663 0 40 EDAB CC(=O)c1cc(C(=O)OCC(=O)NC(=O)C2CCCCC2)n(C)c1 16540548 FZPSTHCPCWHVSW-UHFFFAOYSA-N 334.372 1.608 0 40 EDAB CO[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)CC1 100746710 PNKPTMSJBUMVDP-LXZKKBNFSA-N 344.459 1.991 0 40 EDAB Cc1n[nH]c(NC(=O)/C=C(/Cc2ccccc2)Nc2nc(C)n[nH]2)n1 109191302 PFUCJTGIFQGVRI-LCYFTJDESA-N 338.375 1.717 0 40 EDAB C[C@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)CCO1 24113459 NJHOBIQSSYSJAK-UWVGGRQHSA-N 337.445 1.383 0 40 EDAB O=C(CSc1nnnn1C1CC1)N1CCC(c2ccccc2)=N1 8076561 OJNVHKIKQKHAOC-UHFFFAOYSA-N 328.401 1.737 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 47175448 NMPNPHWSRYJENG-INIZCTEOSA-N 327.384 1.924 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1Cl 24690358 NHVZCVZFJBGYQZ-LLVKDONJSA-N 330.837 1.884 0 40 EDAB Cc1cccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)c1 12346186 CDNGTUPAEMGGJD-CJNGLKHVSA-N 327.384 1.624 0 40 EDAB CCOC[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 81499072 HEYSPXCGBGSEBF-LSDHHAIUSA-N 335.452 1.457 0 40 EDAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c(N2CCS(=O)(=O)CC2)c1 55463904 LNIFEXHBMQZJHP-JQWIXIFHSA-N 326.393 1.655 0 40 EDAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccccc1-n1cncn1 25004871 XSKLHVFJCLWYKD-UHFFFAOYSA-N 349.394 1.955 0 40 EDAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 106909624 RGVASCYNOBNVGL-BRSBDYLESA-N 332.419 1.987 0 40 EDAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N1CCOC[C@@H]1C 47449706 DQCBHPCIUJPNIC-ZDUSSCGKSA-N 341.411 1.925 0 40 EDAB CN(C)CCCN[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 54095921 ZOKZBSKIZYSIMX-CYBMUJFWSA-N 327.812 1.663 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)NCc1ccc(N2CCOCC2)nc1 27351241 WKXPGKJOUKBLDB-AWEZNQCLSA-N 344.415 1.942 0 40 EDAB CC(C)Cn1nc(C(=O)NC2=NCCS2)c2ccccc2c1=O 44817134 KFKCEFOURDISNE-UHFFFAOYSA-N 330.413 1.885 0 40 EDAB COc1ccc([C@H](NS(=O)(=O)N2CCOCC2)C2CC2)cc1 44896244 JINSNSXVQXMTNK-OAHLLOKOSA-N 326.418 1.313 0 40 EDAB Cc1cc(=O)oc2cc(OC[C@@H](O)CN3C[C@H](C)O[C@@H](C)C3)ccc12 170626131 AGJBSEHSHCYFEH-KKUMJFAQSA-N 347.411 1.950 0 40 EDAB CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCO1 44966440 QJZRCQFMPGAELD-WCQYABFASA-N 341.433 1.215 0 40 EDAB C[C@@]1(c2ccsc2)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 58341272 JZNPIKUVBQZBJK-DYVFJYSZSA-N 346.408 1.955 0 40 EDAB CCCS(=O)(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 58377909 NPIBMBPKOPKIPN-CYBMUJFWSA-N 329.397 1.761 0 40 EDAB COc1c(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)nn1C 58428835 XGWCJJFJXDBSRF-NSHDSACASA-N 337.445 1.991 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)CCCC(C)C)C1=O 58419894 SXMCIYZYPPYLST-BLLLJJGKSA-N 327.425 1.274 0 40 EDAB COc1ccccc1-c1noc(CCCC(=O)N2CCOCC2)n1 2202849 HNBLLAFVIILSEB-UHFFFAOYSA-N 331.372 1.927 0 40 EDAB COc1ccc(C(N)=O)c(OCc2cc(=O)n3ccsc3n2)c1 48265254 YHBIJNFXOCCSFN-UHFFFAOYSA-N 331.353 1.443 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)NC1CCCC1 48300290 IYSDEFNXLBWNSF-GFCCVEGCSA-N 336.457 1.901 0 40 EDAB CCCNC(=O)[C@H](C)N(C)CCCCN(C)[C@@H](C)C(=O)NCCC 70038444 YJRZDUBUQGKRGZ-HOTGVXAUSA-N 342.528 1.460 0 40 EDAB Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)N1CCc2ccccc2C1 81813548 JONYHOQSOGXXJR-CXAGYDPISA-N 339.443 1.984 0 40 EDAB CCCCn1nnnc1CN1CCO[C@@H](Cn2nc(C)cc2C)C1 69376491 YGSCLVFOAUGLTB-OAHLLOKOSA-N 333.440 1.188 0 40 EDAB COCC(=O)N1CCN(C(=O)C2(c3ccc(C)c(OC)c3)CC2)CC1 69348702 NLIHSEFDSQOHID-UHFFFAOYSA-N 346.427 1.352 0 40 EDAB CCCCS(=O)(=O)N1CCC(C(=O)NCCN(C)C2CC2)CC1 63116637 GFVIJVRPMSQMMO-UHFFFAOYSA-N 345.509 1.039 0 40 EDAB CCN(CCNC(=O)Cn1cccc(C(F)(F)F)c1=O)C1CC1 69420330 VHXKPNTVNKWCKX-UHFFFAOYSA-N 331.338 1.468 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N2CCCC[C@H]2CC(N)=O)cc1 69452456 BCZQDJAWHWSEQP-VSGCLNPGSA-N 329.400 1.316 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NCCNC(=O)Cc1cccc(F)c1 69457136 NDLMJGMYKBXCNA-ZDUSSCGKSA-N 347.394 1.069 0 40 EDAB Cc1ccc(C)n1-c1nc(CC(=O)N2CCC[C@@H](C(N)=O)C2)cs1 63654402 DABQLPLUGWAJGG-CYBMUJFWSA-N 346.456 1.817 0 40 EDAB CC(C)CNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113956754 JXDUVXQQIJYXKZ-SNVBAGLBSA-N 334.388 1.892 0 40 EDAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C)cc1OCC(N)=O 49545904 OMPBMUHFCISQEC-JTQLQIEISA-N 330.344 1.416 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)c2cnn(C)c2C2CC2)CC1 69879898 VTSWITWXGOGHCF-UHFFFAOYSA-N 342.447 1.379 0 40 EDAB CCCNC(=O)c1nn(CC)cc1NC(=O)c1c(C)nn(C)c1C 28234700 FQUSBUMHPNBUDV-UHFFFAOYSA-N 332.408 1.645 0 40 EDAB COc1ccc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)cn1 69530386 MLCREFDLGYGNNO-CHWSQXEVSA-N 334.420 1.679 0 40 EDAB Cc1ccc(NCCNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)nn1 69565833 HYXLTNMWUNUUIQ-CQSZACIVSA-N 347.463 1.598 0 40 EDAB Cc1cccc2c(=O)n(CCCC(=O)NC[C@@H]3CCOC3)cnc12 65394060 UMORQSDQYIOKLF-AWEZNQCLSA-N 329.400 1.638 0 40 EDAB CCCCn1nc(C(=O)Nc2cccc(C(=O)OC)c2O)ccc1=O 65491907 XJUOYDBEUYBLQU-UHFFFAOYSA-N 345.355 1.788 0 40 EDAB CC(=O)c1c(SCC(=O)NCc2cccs2)nc(=O)[nH]c1C 14148934 LBJOQSBTIKLKNX-UHFFFAOYSA-N 337.426 1.751 0 40 EDAB O=C1C[C@@H](NS(=O)(=O)c2ccccc2)CN1Cc1ccccc1 69631622 DMBSAYZDXWJPKO-OAHLLOKOSA-N 330.409 1.766 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](n2cccn2)C1 65610893 UYSFLDRWJOFKFZ-ZDUSSCGKSA-N 326.356 1.655 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)N3CCCN4CCC[C@@H]4C3)cc12 65611416 WEOOZTFHGZIDNF-CYBMUJFWSA-N 349.460 1.136 0 40 EDAB Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCNC(=O)C2)c1Cl 8500016 UXHZDCWDQCTDOD-UHFFFAOYSA-N 337.228 1.731 0 40 EDAB Cc1cnn([C@H](C)[C@H](C)NCCNS(=O)(=O)c2ccccc2)c1 69706159 RWPWIKQIMBJSTR-LSDHHAIUSA-N 336.461 1.709 0 40 EDAB CCn1c(=O)c2sccc2n(CC(=O)NC2CCCCC2)c1=O 6678851 ZIMZYZPIOJWDCA-UHFFFAOYSA-N 335.429 1.694 0 40 EDAB COC(=O)C1CCN(C[C@@H](O)COc2ccc(C(C)=O)cc2)CC1 6626809 RSANJGFFWDVZTA-MRXNPFEDSA-N 335.400 1.514 0 40 EDAB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(OC)c1 6755163 FUKIBRRYEHPVEC-AWEZNQCLSA-N 336.413 1.678 0 40 EDAB CSC(=N)Nn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C 6760654 LCVYEQBECMZTDW-UHFFFAOYSA-N 343.412 1.547 0 40 EDAB Cn1cc(CCNC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 67202874 YHUFDSGZZWLMIU-CQSZACIVSA-N 336.436 1.868 0 40 EDAB Cn1ncc2c(=O)[nH]c(NC[C@H](O)c3ccc4ccccc4c3)nc21 67372865 XQTPUQHASBWWGK-HNNXBMFYSA-N 335.367 1.955 0 40 EDAB CC[C@@H]1CCCN(C(=O)NCC(=O)N(C)CCc2ccccn2)C1 67468931 SJYMNRYQRNNJEJ-OAHLLOKOSA-N 332.448 1.914 0 40 EDAB O=C(CSc1nnc(NCc2ccco2)s1)N1CCNC1=O 7161913 TZFNUHFQASBVGY-UHFFFAOYSA-N 339.402 1.387 0 40 EDAB COc1ccc(NC(=O)C[C@H](CN2CCCN(C)CC2)C(=O)O)cc1 71280116 HRGHJNAULQDZOB-CQSZACIVSA-N 349.431 1.362 0 40 EDAB COC(C)(C)CNS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 96005490 DWXRKSSEJVIJKE-AWEZNQCLSA-N 346.493 1.512 0 40 EDAB CN1CCCc2ccc(S(=O)(=O)N[C@@H]3CCCn4ncnc43)cc21 97014353 NPSIXBDQMTUVHY-CQSZACIVSA-N 347.444 1.474 0 40 EDAB CN1CCO[C@H](CNC[C@H](O)COc2ccc(Cl)cc2Cl)C1 72254056 GPCOZDJLKWBIIT-QWHCGFSZSA-N 349.258 1.653 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc3c([nH]c1=O)CCCCC3)C2 72291334 OAKLWNJURICZNP-CQSZACIVSA-N 340.427 1.894 0 40 EDAB CS(=O)(=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 23145008 PJEIZCZHAAUYFO-UHFFFAOYSA-N 337.470 1.887 0 40 EDAB O=C(Nc1ccccc1S(=O)(=O)N1CCOCC1)c1ccncc1 71858634 IVDIDABEMFXDBX-UHFFFAOYSA-N 347.396 1.355 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 71877419 LHKQVGOYWOPSKS-LSDHHAIUSA-N 337.439 1.344 0 40 EDAB O=C(CN1C(=O)CSc2ccccc21)N1CCN2CCCC[C@@H]2C1 71839974 NVGROLSTXGLJNL-CQSZACIVSA-N 345.468 1.822 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N1c3ccccc3CC[C@@H]1C)CC2 71879337 CIBNNONSLLHSDZ-BBRMVZONSA-N 339.443 1.859 0 40 EDAB CCCCS(=O)(=O)N1CCCN(C(=O)c2cc(C)on2)CC1 62612446 YJDDDMRISZYPOX-UHFFFAOYSA-N 329.422 1.261 0 40 EDAB Cc1cc2c(cc1C)O[C@@H](C(=O)NCC(=O)NCC(F)(F)F)C2 72302789 DZIKMFDFDPTLEB-GFCCVEGCSA-N 330.306 1.402 0 40 EDAB C[C@H](NC(=O)C=C1CCC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 97227529 AHXPKYKBASKJSX-NSHDSACASA-N 325.372 1.654 0 40 EDAB NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)cc1 78725956 YXMGVJCQAVFDOA-JTQLQIEISA-N 334.344 1.181 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)n1 78889948 MGIFLRRIQPZOJH-ZDUSSCGKSA-N 330.392 1.571 0 40 EDAB CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1c[nH]nc1C 78898785 QYZWFSZFHYGESF-ZFWWWQNUSA-N 328.482 1.646 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cn1 95433309 ITPKZLPNECPWKP-ZBFHGGJFSA-N 335.429 1.697 0 40 EDAB C[C@H](CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)[S@](C)=O 95439854 LCZJWBLDWJYUSU-NTCNTBNZSA-N 327.830 1.666 0 40 EDAB C[C@H](CNC(=O)Nc1ncc(-c2ccccc2)s1)S(N)(=O)=O 95453710 UFOZIYOVEGNHQN-SECBINFHSA-N 340.430 1.609 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC[C@@H](CC(N)=O)C1 95405955 XKFFVGPFVJMMRJ-FZMZJTMJSA-N 335.452 1.265 0 40 EDAB O=C(C[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)c1ccco1 95439896 XNOQUCZRCGWQDA-LLVKDONJSA-N 329.356 1.605 0 40 EDAB COC(=O)C1(O)CCN(C(=O)CCC(=O)c2cccs2)CC1 95455960 UMGKRWNOLKWNMN-UHFFFAOYSA-N 325.386 1.238 0 40 EDAB CCc1nn(C)c(CC)c1CN1CCN(C(=O)N2CCOCC2)CC1 95982394 WVHOFUQGFPDZSK-UHFFFAOYSA-N 349.479 1.115 0 40 EDAB CN(CC1CCC1)C(=O)NCCNC(=O)c1n[nH]c2ccccc12 95958314 JYVLLNRYXVBXAA-UHFFFAOYSA-N 329.404 1.734 0 40 EDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ncccc1O 95947317 GKBXIGWTYBFYEN-UHFFFAOYSA-N 333.731 1.805 0 40 EDAB CN(C)C1(C(=O)N2CCN(c3nncc4ccccc34)CC2)CCC1 89313956 HFIFEEHTMQTGCT-UHFFFAOYSA-N 339.443 1.763 0 40 EDAB COC[C@H](CCO)NS(=O)(=O)c1cc(C(C)(C)C)ccc1C 89651266 NEDYPSWQTVAGBY-AWEZNQCLSA-N 329.462 1.968 0 40 EDAB O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@@H]1CCCN1c1ncccn1 89884835 KJRYIBIYURZYTP-GJZGRUSLSA-N 346.818 1.949 0 40 EDAB NC(=O)[C@@H](NC(=O)NCCc1cn2ccccc2n1)c1ccccc1 89823162 PGXMVZBSASFSNB-INIZCTEOSA-N 337.383 1.403 0 40 EDAB CN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N2CCCCCC2)n1 27517191 NHCXXROGJBVIBF-UHFFFAOYSA-N 345.407 1.204 0 40 EDAB Cc1cc(N[C@@H]2CCC[C@@H]2C(N)=O)n2nc(C(F)(F)F)nc2n1 301572022 OKAFIFFOSMKBKG-JGVFFNPUSA-N 328.298 1.517 0 40 EDAB O=C(NCCNC(=O)c1ccco1)NCc1csc(C2CC2)n1 69922297 HTZYHTWWTGTLOQ-UHFFFAOYSA-N 334.401 1.843 0 40 EDAB COCCN1CCC(CN2CCN(c3ncnc(C)c3C)CC2)CC1 65372384 GPZOCVMAQKPDGL-UHFFFAOYSA-N 347.507 1.574 0 40 EDAB O=C1C[C@@H](Oc2ccccc2NS(=O)(=O)N2CCCCC2)N1 516860696 ULZOEFGYUIPFFY-CQSZACIVSA-N 325.390 1.054 0 40 EDAB CCNC(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1 77159848 SLWUTIDRXJQOHO-UHFFFAOYSA-N 327.432 1.897 0 40 EDAB C[C@]1(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1(Cl)Cl 78986962 IMZDAQUWOJGFNS-HZGVNTEJSA-N 333.137 1.850 0 40 EDAB O=C1CC[C@@H](NC(=O)c2cnc(-c3ccccc3Cl)nc2)C(=O)N1 1538937456 ASAKWTGNVOJTKY-GFCCVEGCSA-N 344.758 1.332 0 40 EDAB Cn1c(NC(=O)c2ccc(Br)s2)cc(=O)n(C)c1=O 32611673 RNKLLEPBMQUPQH-UHFFFAOYSA-N 344.190 1.160 0 40 EDAB Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]2CO)c1 187288172 CWLBFQFUGLJZCC-NSHDSACASA-N 334.235 1.903 0 40 EDAB Cc1nc(C(=O)N[C@@H]2CCC[C@H]2N(C)C)nn1-c1ccc(F)cc1 565261330 YJHKODWRXNNIBC-HUUCEWRRSA-N 331.395 1.927 0 40 EDAB COCC(=O)N1CCC[C@@H](c2cccc(CCC(=O)N(C)C)n2)C1 72360495 RRKYOFDGPQVSFW-CQSZACIVSA-N 333.432 1.455 0 40 EDAB C[C@H]1CC(NC(=O)N2CCN(Cc3ccccn3)CC2)C[C@@H](C)O1 184646704 QILNNFKIEOVKTR-FKEKPDDDSA-N 332.448 1.865 0 40 EDAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1ccc(N2CCOCC2)cc1 238812883 ASQXZQNAAUGYIR-BPQIPLTHSA-N 346.427 1.590 0 40 EDAB C[C@H](C(=O)O)n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O 40388222 JYDRCWZMTVGERB-SNVBAGLBSA-N 335.323 1.752 0 40 EDAB CCN(C)C(=O)[C@@H](C)NC(=O)NC1CCN(c2ccccc2)CC1 190290130 KMARTEFKHZZSKQ-CQSZACIVSA-N 332.448 1.821 0 40 EDAB O=C1CC[C@H](C(=O)Nc2ccn(CC(F)(F)F)n2)n2cccc21 571626991 SDKHVXSBAKINIJ-SNVBAGLBSA-N 326.278 2.403 0 40 EDAB Cc1cc(C)n(CCCNC(=O)[C@H](C)n2cc3c(n2)c(C)nn3C)n1 41123792 HUYFXAWYHNEZIN-AWEZNQCLSA-N 343.435 1.659 0 40 EDAB C[C@H]1CN(CCN(C)C(=O)NCc2ccn3ccnc3c2)C[C@@H](C)O1 195034019 VYWKWEIHEIJNKW-GASCZTMLSA-N 345.447 1.585 0 40 EDAB COc1cccc(NC(=O)Nc2cnc(N3CCOCC3)nc2)c1 224263656 FHXWTWDEWSRKCH-UHFFFAOYSA-N 329.360 1.966 0 40 EDAB COCCN1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccccn3)[C@@H]2C1 96043379 DCAXCCYZCXUIFN-FGTMMUONSA-N 347.459 1.114 0 40 EDAB Cn1ccnc1CN1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96072390 AOZJSEPMBDIKKW-WMZOPIPTSA-N 328.416 1.765 0 40 EDAB C[C@H](CCN1CCOCC1)NC(=O)c1cc(Br)cn1C 96431047 XCVPWYWHCFUWGT-LLVKDONJSA-N 344.253 1.628 0 40 EDAB COCCNC(=O)CCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 95397811 QWWILRQFFUMSME-MNOVXSKESA-N 326.343 1.337 0 40 EDAB CN(C)C(=O)Cn1cc(NC(=O)N(C)CCc2cccs2)cn1 96447190 CSQHCBVTLJZBNM-UHFFFAOYSA-N 335.433 1.739 0 40 EDAB CC(C)[C@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)C(N)=O 96425127 WVJKVYVUWARYNQ-CABZTGNLSA-N 343.221 1.843 0 40 EDAB Cn1cccc1C(=O)N1CCn2cc(CNC(=O)CC3CC3)nc2C1 96059449 NHONOJPTRMALSO-UHFFFAOYSA-N 341.415 1.294 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 96041368 HKKSYCHNJIXMMS-ULQDDVLXSA-N 340.383 1.460 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1Cc1cccnc1 96200521 IUYWJQYMANSQIN-IRXDYDNUSA-N 329.400 1.899 0 40 EDAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCCC1)C=C2 96221881 VLXWYROEVNBQGF-UHFFFAOYSA-N 330.384 1.682 0 40 EDAB biogenic O=C(c1ccnnc1)N1C[C@@H]2CN(Cc3ccsc3)CCO[C@@H]2C1 96108214 WWQYTPWCVUAMTM-JKSUJKDBSA-N 344.440 1.511 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(Cc1ccncc1)C2)NCc1ccco1 96208386 IWADZKPSHZVZEJ-APWZRJJASA-N 341.411 1.830 0 40 EDAB NC(=O)c1cncc(N2CCN(Cc3ccc(Cl)cc3)CC2)n1 96455752 RSEUJIABIXYTDR-UHFFFAOYSA-N 331.807 1.551 0 40 EDAB Cn1cc(N2CCN(Cc3cccc4c3OCCCO4)CC2=O)cn1 93530306 BZKPMTCRORYVOX-UHFFFAOYSA-N 342.399 1.430 0 40 EDAB Cn1ccc(C(=O)N2CC3(C[C@@H](OCc4ccccn4)CCO3)C2)n1 248148984 STHMNMZDNFZQJZ-HNNXBMFYSA-N 342.399 1.406 0 40 EDAB Cn1cccc1C(=O)NC[C@@H]1CN(CC2CC2)Cc2ccnn2C1 248148907 SSTPWTVBJIACKH-OAHLLOKOSA-N 327.432 1.493 0 40 EDAB O=C(c1ccc(S(=O)(=O)NCc2cccnc2)cc1)N1CCCC1 243312714 LIQOPOHTDTUYFL-UHFFFAOYSA-N 345.424 1.796 0 40 EDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)CN)cc1 242495741 GPAMHLUBMHNDQF-SQNIBIBYSA-N 330.453 1.899 0 40 EDAB O=C(c1ccnnc1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 247873053 RPYLLBDRHVPTIT-HNNXBMFYSA-N 340.383 1.572 0 40 EDAB O=C(c1cccc(O)n1)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 257226685 FLRFNXKXGBHQIE-IAGOWNOFSA-N 339.395 1.031 0 40 EDAB Cc1ccc(CC(=O)NC[C@]2(O)CCN(c3ccccn3)C2)s1 257276445 NTUANAHDGDFUQF-QGZVFWFLSA-N 331.441 1.752 0 40 EDAB CNc1cc([C@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)ccn1 257252671 JVQQXPPRENIQBN-OAHLLOKOSA-N 338.477 1.684 0 40 EDAB CCn1ccc(C(=O)N2CCC[C@](C)(c3[nH]ncc3C(=O)NC)C2)n1 257276428 NTSPMDMEVOLBIG-KRWDZBQOSA-N 344.419 1.180 0 40 EDAB CC(C)N1CCN(CC(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)CC1 257313974 UUWRISOMGGFITL-INIZCTEOSA-N 333.480 1.217 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2cc(F)ccc2OC)CCO1 257203495 AQIIDXLDWHQJFX-AWEZNQCLSA-N 346.362 1.880 0 40 EDAB Cc1noc(C)c1C[C@H](C)NC(=O)NC[C@H](C)N1CCOC[C@H]1C 252477025 GZBNFEALGWAZDR-RWMBFGLXSA-N 338.452 1.631 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CCN3CCCC3)CCO2)n1 257264914 LWMZBOKOQFYELY-GOSISDBHSA-N 346.475 1.842 0 40 EDAB O=C(NCCCNc1ncccn1)c1cncc(Br)c1 42757555 JXBXCNKBIUASFW-UHFFFAOYSA-N 336.193 1.866 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)Cn2c(=O)oc3ccccc32)n1 257231231 GFWNLODTJBWFBJ-ZDUSSCGKSA-N 342.355 1.226 0 40 EDAB CNc1cc([C@H]2CCCN2C(=O)CCCn2cncn2)nc(C)n1 257216504 CUTWSFMCGNLSSN-CQSZACIVSA-N 329.408 1.562 0 40 EDAB Cc1ccc(CCNC(=O)c2ncoc2COCC(=O)O)c(C)c1 585135081 WPYUDLXPORGGKF-UHFFFAOYSA-N 332.356 1.865 0 40 EDAB CO[C@@H]1CCCC[C@@H](NC(=O)CCN(C)Cc2ccccn2)[C@H]1O 257337678 YTXUCFULKSCOAZ-JFIYKMOQSA-N 335.448 1.338 0 40 EDAB Cc1cnc(CN2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 257260064 LBEMDZFKIVSFBA-QZTJIDSGSA-N 338.411 1.397 0 40 EDAB O=C(Cc1ccsc1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257273956 NIXLWWJIMGMRCN-AWEZNQCLSA-N 333.413 1.646 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 260743587 MGLPRAHLJWHNAT-NEPJUHHUSA-N 328.434 1.764 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@H]1C(=O)O 263038456 CALQNXMJSYCUJQ-BXUZGUMPSA-N 347.396 1.485 0 40 EDAB FC(F)(F)Oc1ccc(Cn2nnnc2N2CCCOCC2)cc1 1616037944 CSANIFKUYZJGKG-UHFFFAOYSA-N 343.309 1.847 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)N1CC(C2CS(=O)(=O)C2)C1 606444612 JCJOFPJOTGKKEO-UHFFFAOYSA-N 349.861 1.314 0 40 EDAB O=C(c1cnn2c1OCCC2)N1CCN(Cc2cccnc2)CC1 90583877 PJRLYZUFSUBOMZ-UHFFFAOYSA-N 327.388 1.019 0 40 EDAB Cc1cc([C@H](C)NC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c(C)o1 1615588131 OHKRMMRYWVKGLB-BFCNOCSMSA-N 348.403 1.635 0 40 EDAB CCn1ncnc1-c1ccc(C(=O)N[C@@H]2C[C@H](N)C23CCC3)cc1 1615554594 MFUHYDJAXOPZFS-LSDHHAIUSA-N 325.416 1.965 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccnn3)cc2)cc1 390834122 SJSHJOUVVNZWSJ-UHFFFAOYSA-N 343.368 1.167 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575405056 REFGPEYJCQLCJA-DZGCQCFKSA-N 334.441 1.721 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@H](C(=O)NC2CC(F)(F)C2)C1 575402434 AIOVOTBHJIFEBU-LBPRGKRZSA-N 326.347 1.336 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCc2ncc(C(=O)O)cn2)s1 585124124 HVFBDJGKAAUUQK-UHFFFAOYSA-N 327.387 1.332 0 40 EDAB C[C@@H]1CC[C@H](NC(=O)NCc2cnn3ccccc23)CS1(=O)=O 664877840 KFFSHAKXIODBNG-YPMHNXCESA-N 336.417 1.099 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccc(C)cc1)[C@H]2C 585097052 GXWLZJFCZFAIDY-ZDUSSCGKSA-N 330.388 1.715 0 40 EDAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCCC2)C3)[nH]1 585104211 MWLZVIWPZDDDTJ-HNNXBMFYSA-N 332.448 1.825 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)CCc2ccc3nc(C)[nH]c3c2)[C@@H]1O 585286959 PEBRPIZJFRAEGC-NUJGCVRESA-N 347.415 1.037 0 40 EDAB O=C(Cc1ccccn1)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 585286260 VZGCNUWVNABDLA-LSBZLQRGSA-N 326.396 1.959 0 40 EDAB COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CC3CC3)C[C@H]12 585109623 FTOJGPWPXSHKLN-CMKODMSKSA-N 344.455 1.946 0 40 EDAB CCN(CC)c1ccc(C(=O)NCC(C)(C)N2CCOCC2)cn1 58087343 DSQCLLVCNAOJRC-UHFFFAOYSA-N 334.464 1.768 0 40 EDAB COc1cc(CN(C)C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)sn1 1548607056 WJNJNYUZVCDUOZ-BOPFTXTBSA-N 332.389 1.471 0 40 EDAB CN(C)C[C@@H]1CSCCCN1C(=O)Cn1c(=O)oc2ccccc21 90700104 WUKKEAKCAKELHP-CYBMUJFWSA-N 349.456 1.490 0 40 EDAB CCc1ccccc1-n1cc(C(=O)N2CCc3noc(N)c3C2)nn1 1615586382 LWHSUOSDQPFDIE-UHFFFAOYSA-N 338.371 1.598 0 40 EDAB Cc1c(Br)c(C(=O)N[C@@H](C)C(=O)N2CCCC2)nn1C 1615612256 BTCXEPWOVZRTAE-QMMMGPOBSA-N 343.225 1.232 0 40 EDAB COc1ccccc1N1CCN(CCNC(=O)c2ccco2)CC1 11900191 PVJYNFRNHSYBAL-UHFFFAOYSA-N 329.400 1.840 0 40 EDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3sc(C)nc3C)C[C@H]21 12120054 OVDBJZOKWSJOAZ-YPMHNXCESA-N 344.440 1.954 0 40 EDAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)c2ccncc2)CC1 12222723 FBTSIJBHDFBWHX-UHFFFAOYSA-N 345.424 1.900 0 40 EDAB COC(=O)C(Cl)(Cl)c1nc(NC(C)=O)nc(O)c1Cl 16972442 MTTWCACXXXHLDN-UHFFFAOYSA-N 328.539 1.597 0 40 EDAB C[C@@]1(NC(=O)c2cc(-c3ccccc3F)no2)CCS(=O)(=O)C1 19461340 AUUMZAVPNDUPKT-OAHLLOKOSA-N 338.360 1.788 0 40 EDAB CCN1C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526732 SVWWHCGTDZGGBX-APNQJHFZSA-N 334.347 1.023 0 40 EDAB Cc1nc(CNC(=O)CCn2c(=O)cc(C)c3ccccc32)no1 19566557 HRRODZUYYPWVFT-UHFFFAOYSA-N 326.356 1.708 0 40 EDAB Cc1nccn1CCC(=O)N1CCO[C@@](C)(C(=O)NC2CCCC2)C1 19746882 ZPPMELMQOYZWDL-GOSISDBHSA-N 348.447 1.258 0 40 EDAB CN(Cc1ccccc1)C(=O)CCn1c(=O)[nH]c2ccsc2c1=O 2460816 XOYGTGOWTBJZEA-UHFFFAOYSA-N 343.408 1.800 0 40 EDAB CN([C@@H]1CCN(c2ncnc(C3CC3)c2F)C1)S(=O)(=O)C1CC1 1888849798 NFIRXFRYKZTLSR-LLVKDONJSA-N 340.424 1.496 0 40 EDAB COc1cccc(CC(=O)N(C)C2CN(c3ccc(C)nn3)C2)c1 1888857033 RHEBMONNOHACAB-UHFFFAOYSA-N 326.400 1.683 0 40 EDAB Cc1cc(N2CCN(c3ncnc4c3CCC4)CC2)nc(N(C)C)n1 1889084211 GRQQNVRBBOBRLY-UHFFFAOYSA-N 339.447 1.456 0 40 EDAB Cc1ncnc(N2CCN(c3ncnc4cnccc34)CC2)c1F 1776008649 LVUPBICARHCMPV-UHFFFAOYSA-N 325.351 1.589 0 40 EDAB Cn1nc(-c2cnccn2)cc1CNS(=O)(=O)c1cccs1 239846220 KZMOXUSWJFSGPH-UHFFFAOYSA-N 335.414 1.417 0 40 EDAB COCCn1cnnc1C1CCN(C(=O)[C@]2(C)CCCCN2C)CC1 2037597109 TYEMAABJLGBCOU-SFHVURJKSA-N 349.479 1.505 0 40 EDAB COc1ccccc1NC(=O)C(=O)NCC1(OC)CCSCC1 252536657 JCODRYFKDVBWCX-UHFFFAOYSA-N 338.429 1.662 0 40 EDAB O=C(N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2)C1(F)CC1 1614927403 OUUHZZLZSGCZRB-CYBMUJFWSA-N 334.395 1.931 0 40 EDAB O=C(c1cc(F)ncc1F)N1CCc2ncnc(NC3CC3)c2CC1 1565554375 POTWBTJFHXSNRJ-UHFFFAOYSA-N 345.353 1.965 0 40 EDAB CCc1ccc(C(=O)N2CC[C@]3(C2)Cn2ccnc2CN3C)cn1 1565556351 DSMMCMBTFOPREC-GOSISDBHSA-N 325.416 1.571 0 40 EDAB N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1 4474054 ILUURQZRUVBUDF-MRVPVSSYSA-N 328.191 1.944 0 40 EDAB COCCNS(=O)(=O)CCCOc1cccc2c1OC(C)(C)C2 12440587 GLOCKWFWROBGFK-UHFFFAOYSA-N 343.445 1.735 0 40 EDAB COc1cnc(O[C@H]2CCN(c3cc(C(F)(F)F)ncn3)C2)nc1 2086884536 HIHSRVUXZQCLFD-VIFPVBQESA-N 341.293 1.952 0 40 EDAB O=C(C1CN(c2nc3c(F)cc(F)cc3s2)C1)N1CCOCC1 2298212757 WWOKOJXZIABAFA-UHFFFAOYSA-N 339.367 1.870 0 40 EDAB Cn1c(=O)n(C)c2cc(C(=O)Cn3cnc4ccccc4c3=O)ccc21 8782769 CGBOHZTUDZFIJU-UHFFFAOYSA-N 348.362 1.470 0 40 EDAB CC(C)CN1C[C@@H](C(=O)Nc2cccc(-n3cnnc3)c2)CC1=O 31377859 WBYSPFUISORFRY-ZDUSSCGKSA-N 327.388 1.710 0 40 EDAB C[C@H]1CCCC[C@H]1N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 30377609 MCTXGMOYKDYSSS-SMDDNHRTSA-N 344.415 1.283 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)o1 31553469 LMSTUSCJASUPJB-UHFFFAOYSA-N 349.412 1.150 0 40 EDAB C[C@H](C(=O)NCc1ccc(N2CCCCCC2)nc1)n1cncn1 40541575 WYUFRDDKLMRFCF-CQSZACIVSA-N 328.420 1.931 0 40 EDAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cc(=O)[nH]c2nc3ccccc3n12 101343256 OPPBSWIFCRFRBV-QWRGUYRKSA-N 336.351 1.855 0 40 EDAB C[C@H](CNS(=O)(=O)c1ccc(F)c(F)c1F)N1CCOCC1 46303455 YQUWJDJYZDQRJJ-SECBINFHSA-N 338.351 1.103 0 40 EDAB CNC(=O)CN1CCC(NC(=O)NCc2ccc(Cl)s2)CC1 41171843 IYLOMUFNSBUSAA-UHFFFAOYSA-N 344.868 1.411 0 40 EDAB O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)C3CC3)CO[C@H]12 4222798 BTFCMSHCFWHTPZ-GBJTYRQASA-N 332.356 1.296 0 40 EDAB biogenic,in-vitro O=C(N[C@@H]1C(=O)NN[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 465611 NBWUKGASCBKUCZ-KGLIPLIRSA-N 333.750 1.953 0 40 EDAB CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)NC1CC1 7938786 VEGYULWALMXXSC-UHFFFAOYSA-N 336.413 1.302 0 40 EDAB COc1cc(N2CC[C@@H]3[C@@H]2CCN3C(=O)NC2CCCC2)ncn1 107200677 DEQPERDXTAZYMS-UONOGXRCSA-N 331.420 1.790 0 40 EDAB CC(C)(C)C(=O)NCCCC(=O)Nn1cnc2ccccc2c1=O 32900945 IFRZSLSHWVGNJK-UHFFFAOYSA-N 330.388 1.409 0 40 EDAB Cc1cc(NC(=O)c2cc3nccc(-c4cnn(C)c4C)n3n2)no1 2792123 BSZMQXVCWNAFIW-UHFFFAOYSA-N 337.343 1.987 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccnc3)C2=O)cc1 10257307 NLPFFXYTZOVLFK-OQLLNIDSSA-N 336.351 1.921 0 40 EDAB COc1ccc(C(=O)N(C)CCN2CCOCC2)cc1OC(F)F 69442799 GABVOGVSZCJAQK-UHFFFAOYSA-N 344.358 1.701 0 40 EDAB CC(C)CN1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 53252061 PZCJNOSNUQIZAT-UHFFFAOYSA-N 328.416 1.197 0 40 EDAB Cn1ccnc1CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1 69452271 YCCQZXUKAIYRGA-UHFFFAOYSA-N 338.415 1.788 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@@H]2c2cc(C)no2)ccc1=O 53400718 ZQYDHUFLJFULFN-CYBMUJFWSA-N 332.360 1.163 0 40 EDAB CN1N=C(C(=O)N2CCC(OCc3ccccc3)CC2)CCC1=O 42002865 CXUUWBFPAPPCNC-UHFFFAOYSA-N 329.400 1.802 0 40 EDAB CN(C1CCN(C(=O)NC2CCCCCC2)CC1)S(C)(=O)=O 69415144 ZHYCXOKZDCMAMN-UHFFFAOYSA-N 331.482 1.775 0 40 EDAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 22609575 RXPFFXXYQZZZOW-CVEARBPZSA-N 336.457 1.374 0 40 EDAB CC(C)(C)OC(=O)N1CCC(CN2CCCC[C@@H]2C(N)=O)CC1 69443993 JLMYQNKKAMEEOB-CQSZACIVSA-N 325.453 1.973 0 40 EDAB COc1ccc(CNC(=O)c2nc(Cn3cc(Cl)cn3)no2)cc1 12420721 UZICXCOSJOEDGX-UHFFFAOYSA-N 347.762 1.906 0 40 EDAB OC[C@@]12O[C@H]3CC[C@@H]4[C@@H]3[C@@H]1[C@@H]1[C@@H]3[C@@H]2[C@H]2CC[C@@H]5O[C@@](CO)([C@@H]3[C@H]52)[C@H]41 104288827 MNXFVUUNFHGREX-SAWIUKDOSA-N 330.424 1.050 0 40 EDAB COCCN1CCN([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 42565599 IKALOVDRBINJKN-WBVHZDCISA-N 347.459 1.279 0 40 EDAB NC(=O)CN1CCC(NC(=O)CCn2ccc3ccccc32)CC1 54518231 JGMFNJRSDXTJBV-UHFFFAOYSA-N 328.416 1.097 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCNS(C)(=O)=O)C2CC2)o1 42721726 SNOLOYVVAYCQPQ-BXUZGUMPSA-N 340.445 1.833 0 40 EDAB CN1CCc2nc(NC(=O)[C@H]3COc4ccccc4O3)sc2C1 23802481 RPDUHVUAHILNML-CYBMUJFWSA-N 331.397 1.910 0 40 EDAB OC[C@@H]1CCCN(c2cc(N3CCN(CC(F)F)CC3)ncn2)C1 105789016 BIXBVMDWYGITSA-CYBMUJFWSA-N 341.406 1.072 0 40 EDAB C[C@H](CCc1cccn1C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 76086934 DFUINPCTWMUEKO-DJIMGWMZSA-N 334.464 1.509 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@H]1c1c(C)nn(C)c1C 105895998 OGIMLUIJMOBFGB-QOBDKFOYSA-N 344.463 1.841 0 40 EDAB COc1cccc(CC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1 24689137 FLCJHBQTSZSQTB-AWEZNQCLSA-N 340.445 1.168 0 40 EDAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccn(C)n3)ccc21 12521003 RGOGGXSOFKTCNS-UHFFFAOYSA-N 334.401 1.520 0 40 EDAB Cc1ccc(N2N=C(C(=O)N[C@H](C)Cc3ccco3)NCC2=O)cc1 25301147 WADLSZRCMMBPKW-CYBMUJFWSA-N 340.383 1.585 0 40 EDAB O=C(CCc1nc(-c2ccccn2)no1)N1CCO[C@@H]2CCC[C@H]21 56197875 OIXMRUIYTVIVGY-ZIAGYGMSSA-N 328.372 1.844 0 40 EDAB Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 107494194 VZBYBLQWVVPKBP-JHJVBQTASA-N 349.412 1.886 0 40 EDAB Cc1cc(C(=O)N2CCCc3ccc(S(=O)(=O)N(C)C)cc32)on1 78190560 CWLAKTPQJSEHCZ-UHFFFAOYSA-N 349.412 1.826 0 40 EDAB CNC(=O)NC(=O)CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 44071986 DGBCOASMSILMCR-ZDUSSCGKSA-N 333.388 1.440 0 40 EDAB CCO[C@H](C)c1noc(CN2CCN(c3ccnc(C)n3)CC2)n1 78508741 KMVKRKIPYURXIM-GFCCVEGCSA-N 332.408 1.588 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1 44168125 CEJSPUMQRBMMLO-UHFFFAOYSA-N 347.350 1.321 0 40 EDAB O[C@@H](COC1CCOCC1)CN1CCO[C@H](c2ccc(F)cc2)C1 108355297 DDEKMNIUQCPFSH-AEFFLSMTSA-N 339.407 1.756 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(C[C@@H](O)c3cccc(F)c3)C2=O)cn1 102706112 CLCAQSATNXIHQA-DZGCQCFKSA-N 331.347 1.210 0 40 EDAB COCCOc1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1 44936058 LZEVBIPKKPBFIP-CYBMUJFWSA-N 339.417 1.275 0 40 EDAB C[C@@H]1CN(S(=O)(=O)Nc2cccc3c2OCCO3)[C@H](C)CO1 78902680 JCUHHQLHMIGXTC-GHMZBOCLSA-N 328.390 1.224 0 40 EDAB O=C(O)c1csc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c1 58497246 WIRVSSASEUGGPD-UHFFFAOYSA-N 338.366 1.491 0 40 EDAB CCCn1nc(C(=O)NC2(c3noc(C)n3)CCCCC2)ccc1=O 28617226 PTRMBXVCVNPXOT-UHFFFAOYSA-N 345.403 1.934 0 40 EDAB Cc1cc(C(=O)N2CCO[C@@H](C)C2)cc(S(=O)(=O)N(C)C)c1C 11496692 CYNZOUAAEPBPGU-LBPRGKRZSA-N 340.445 1.415 0 40 EDAB CCOc1cc2c(cc1CNC(=O)c1ccc(O)nn1)O[C@@H](C)C2 12866409 XNPUSECIBJKDRC-JTQLQIEISA-N 329.356 1.834 0 40 EDAB CCCCN(C(=O)NCC)c1c(N)n(CCCC)c(=O)[nH]c1=O 8429370 WOTWKNXGAHSLJY-UHFFFAOYSA-N 325.413 1.255 0 40 EDAB COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C(=O)O)cc1 13070323 MGBWLAQWBYACLW-LBPRGKRZSA-N 329.374 1.251 0 40 EDAB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)Cc1cn2ccccc2n1 69528350 UFMAALUDNANHAK-AWEZNQCLSA-N 346.456 1.647 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)cc1 69620440 CAKBZHFSTJYQRB-UHFFFAOYSA-N 339.395 1.617 0 40 EDAB O=C(NCC(=O)N1CCc2ccccc21)[C@H]1COc2ccccc2C1 69655009 LQRKOLBGUAYPHU-MRXNPFEDSA-N 336.391 1.943 0 40 EDAB CC(C)(O)CN1CCN(C(=O)CCCOc2ccccc2F)CC1 69632082 UJWWMFDLZOOVAD-UHFFFAOYSA-N 338.423 1.900 0 40 EDAB O=C(NCCCc1c[nH]c2ccccc12)N[C@H]1CCS(=O)(=O)C1 69776912 VEIACHIESYARPI-ZDUSSCGKSA-N 335.429 1.587 0 40 EDAB CCOc1ccccc1OCC(=O)N1CCN([C@@H](C)COC)CC1 69892503 XWSMKEBBEDJMGW-HNNXBMFYSA-N 336.432 1.643 0 40 EDAB C[C@H](NC(=O)CN[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 69952084 PFJIDZSJWCYMNH-DOTOQJQBSA-N 339.443 1.912 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(C)C 49910096 OKKDTAXOAWKEPX-UHFFFAOYSA-N 326.418 1.610 0 40 EDAB O=C(c1ccoc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8774411 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334.416 1.767 0 40 EDAB Cc1cc(-c2nnc(SCC(=O)Nc3cccc(C)n3)n2N)[nH]n1 9016069 NDBGZNNHEVJFJD-UHFFFAOYSA-N 344.404 1.125 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)C2=Cc3ccccc3OC2)C1 67815076 IZACCLFRSMGYBD-CQSZACIVSA-N 336.413 1.003 0 40 EDAB Cc1nnc(COC(=O)c2ccc(CNC(=O)NC(C)C)cc2)o1 7797333 HYNKUYVNBBEOSK-UHFFFAOYSA-N 332.360 1.943 0 40 EDAB Cc1csc(CNc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)n1 91065477 YITVBBAFWFVUMV-STQMWFEESA-N 349.460 1.896 0 40 EDAB Cc1cc(C)c(CNC(=O)c2ccc3c(c2)OCC(=O)N3)c(=O)[nH]1 16513191 HMQXBFNLJOFLLJ-UHFFFAOYSA-N 327.340 1.253 0 40 EDAB CCNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 8133835 VPONFHQOIHPERG-UHFFFAOYSA-N 338.351 1.900 0 40 EDAB c1ccc(Cc2noc(CN3CCO[C@H](Cn4cncn4)C3)n2)cc1 70018281 BAFXMTXWOZGKEY-HNNXBMFYSA-N 340.387 1.153 0 40 EDAB CNC(=O)NC(=O)CN[C@H](c1c(F)cccc1F)C(F)(F)F 96002819 PWFXVLKLTSJPEN-SNVBAGLBSA-N 325.237 1.613 0 40 EDAB COC(=O)C[C@@H]1CN(Cc2cn(C)nc2-c2ccccc2)CCO1 97033952 YQRMBXUYOJLZLY-MRXNPFEDSA-N 329.400 1.851 0 40 EDAB NC(=O)[C@@H]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 97082830 IXJJMEUFDPENBW-SECBINFHSA-N 340.214 1.881 0 40 EDAB Cc1cc(-c2nnn(C[C@H](O)CN3C[C@H](C)O[C@H](C)C3)n2)ccc1F 71841216 YMDDCUAOYPMHDR-VNHYZAJKSA-N 349.410 1.258 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)COCc2ccccc2Cl)CC1 71881140 GCFQCTXMDUHFJH-OAHLLOKOSA-N 340.851 1.772 0 40 EDAB Cn1cc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)c(C(F)(F)F)n1 71841658 JZUQJXFPJCPJTJ-VIFPVBQESA-N 345.325 1.069 0 40 EDAB O=C(NCC[S@@](=O)Cc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 71896376 LNKQDEVFJMPCTP-DEOSSOPVSA-N 343.408 1.535 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N1CCc3nnc(N)cc3C1)C2 71860106 IVCQTHFYDQVLDP-ZDUSSCGKSA-N 340.383 1.203 0 40 EDAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)O)n2C)cc1C 72328099 MIGKRPPNUQSAQG-UHFFFAOYSA-N 334.401 1.790 0 40 EDAB CN(C)C(=O)c1cccc(CN2CCc3nn(C)c(=O)cc3C2)c1 72302338 MBFRANRFUKPCAK-UHFFFAOYSA-N 326.400 1.040 0 40 EDAB O=C([C@H]1C[C@@H]1c1cccnc1)N1CCC(CN2CCOCC2)CC1 84422082 IEINITQTPWZJIC-MSOLQXFVSA-N 329.444 1.756 0 40 EDAB CCOC(=O)C1CCN(C(=O)Cn2cnc(-c3ccccn3)n2)CC1 95447124 FKAVQESLTZOZMU-UHFFFAOYSA-N 343.387 1.142 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)C[S@](=O)c2ccc3ccccc3c2)C1 95414512 ASZGAQSHZVXDBH-IZHWHUGBSA-N 344.436 1.671 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N[C@H]1C[C@@H]1c1ccccc1F 73423599 RPMIAVKPTJFYPT-OCCSQVGLSA-N 328.409 1.469 0 40 EDAB CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)Cc2cc(F)ccc2F)O1 95984353 XPFMSQXZYAIXOO-JSGCOSHPSA-N 326.343 1.259 0 40 EDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc[n+](C)c1 34706801 MPWACQQXEPYFMS-UHFFFAOYSA-O 345.419 1.872 0 40 EDAB CN1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 38755924 BWDLOUYDSNPRQH-UHFFFAOYSA-N 331.825 1.099 0 40 EDAB C[C@@]1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCS(=O)(=O)C1 32971000 JVOGSUYMHVXBQO-GFCCVEGCSA-N 337.319 1.892 0 40 EDAB CS(=O)(=O)N1CC[C@H](C(=O)NC2CC2)Oc2ccc(Cl)cc21 38850120 RFPBSISIQMTQOK-CYBMUJFWSA-N 344.820 1.536 0 40 EDAB O=C(COCC(F)(F)F)Nc1ccc(C(=O)N2CCOCC2)cc1 125261882 LRVCQZZLQQQIRT-UHFFFAOYSA-N 346.305 1.676 0 40 EDAB CC(C)C[C@@H]1COCCN1C(=O)NCCCCN1CCN(C)CC1 79306004 HRMCPAYQMJIBEO-QGZVFWFLSA-N 340.512 1.471 0 40 EDAB CC(C)c1ncc(S(=O)(=O)N2CCc3occc3[C@H]2C(=O)O)[nH]1 530141695 JNJFDEQPIAOGLA-LBPRGKRZSA-N 339.373 1.499 0 40 EDAB CC(C)c1ccc([C@@H](C)NC(=O)c2cccn(CC(N)=O)c2=O)cc1 72344588 JSOFRASHSABLJR-CYBMUJFWSA-N 341.411 1.948 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(N(C)C)c2)C1 78721208 FNKOLOLWLUUXEQ-GDBMZVCRSA-N 347.459 1.756 0 40 EDAB O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCS[C@H](c2ccccc2F)CC1 219117638 CJUJOLNWGFSPHV-ZDUSSCGKSA-N 349.387 1.523 0 40 EDAB COCCN1CCC(CNC(=O)NCc2ccc(OC)cc2)CC1 38489558 OGLSJZLXNYFLEI-UHFFFAOYSA-N 335.448 1.853 0 40 EDAB COCCn1nc(C(=O)Nc2ccc(CCN(C)C)cc2)ccc1=O 76222869 XMAWMXQGWUCGOJ-UHFFFAOYSA-N 344.415 1.246 0 40 EDAB CCc1nccn1-c1nccnc1C1CCN(C(=O)COC)CC1 72350614 PCJWCFJMQOZQRT-UHFFFAOYSA-N 329.404 1.577 0 40 EDAB CC(C)[C@@H](C(=O)NCCCN(C)C)S(=O)(=O)C1CCCCC1 79351875 XIMTUKCCFMSCOG-HNNXBMFYSA-N 332.510 1.826 0 40 EDAB CN(C)CCCNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 76939096 XVHKFEVEMUSNGX-UHFFFAOYSA-N 334.388 1.293 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@@H](C)N2CCC3(CC2)OCCO3)cc1 71236281 FWCZAXRHTONEMK-OAHLLOKOSA-N 339.457 1.996 0 40 EDAB O=C(CCCc1ccccc1)NCc1nccc(N2CCOCC2)n1 224169589 YVTCOOTYIWXFKC-UHFFFAOYSA-N 340.427 1.952 0 40 EDAB CCn1cc([C@@H]2CN(C(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)CCO2)cn1 225625984 DTSQQZXLOCKICW-KMFMINBZSA-N 347.463 1.611 0 40 EDAB CC(C)(C)CCS(=O)(=O)N1CCC(C)(C)S(=O)(=O)CC1 194153706 ILDQVDPPEHNYHW-UHFFFAOYSA-N 325.496 1.652 0 40 EDAB COC(=O)N1CCN(CCNC(=O)NCCCc2ccccc2)CC1 44227249 BIEWNCTZUPXCIS-UHFFFAOYSA-N 348.447 1.302 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](O[C@@H](O)CN1CCN(CCO)CC1)C2 226169775 UNIVYCDNGGXPIN-CUSZFKRNSA-N 326.481 1.146 0 40 EDAB COc1cc(C)n(CCNC(=O)c2ccc3[nH]cnc3c2)c(=O)c1 225615602 YCYBTWKLLWMQKX-UHFFFAOYSA-N 326.356 1.472 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@H]21 96058261 WKMMSWASMWSAGL-FGTMMUONSA-N 329.444 1.835 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 98212150 OIQRXXMTZVBIMQ-UHFFFAOYSA-N 329.356 1.110 0 40 EDAB CN(C)c1nccc(N2CCN(c3ncnc4c3CCC4)CC2)n1 531310743 GYZJTRACYFHIBX-UHFFFAOYSA-N 325.420 1.148 0 40 EDAB O=C(C[C@H]1C[C@H]2CN(C3CCOCC3)C[C@H]2O1)NCc1cccnc1 96206055 XWZKCMLPESPYNH-CGTJXYLNSA-N 345.443 1.356 0 40 EDAB COc1cccc(CNC[C@H]2COCc3nc4cccnc4n32)n1 96112801 XKYQMOJWYRYXBF-ZDUSSCGKSA-N 325.372 1.696 0 40 EDAB biogenic,in-vitro COCCNC(=O)[C@@H]1CCC2(CCN(Cc3cccc(C)n3)CC2)O1 96111125 ZWSJOEVELYYVIV-KRWDZBQOSA-N 347.459 1.666 0 40 EDAB Cc1nnc(N2CCC[C@@]3(CN(C(=O)C4CC=CC4)CCO3)C2)o1 96226679 TWDOCMISKQCMGE-QGZVFWFLSA-N 332.404 1.542 0 40 EDAB CC(C)n1nc(Cn2ccnc2)c2c1CN(C(=O)c1ccno1)C2 96259160 GVIDAOXNFFMMKC-UHFFFAOYSA-N 326.360 1.853 0 40 EDAB CCc1ccccc1S(=O)(=O)NC[C@@H](C(=O)O)C1CCOCC1 581721889 UXRVDISXSIWJRD-CQSZACIVSA-N 341.429 1.655 0 40 EDAB CN1CCc2ncnc(N3CCN(C(=O)C4CCCC4)CC3)c2C1 97212231 STSVWDNYJPRPNZ-UHFFFAOYSA-N 329.448 1.303 0 40 EDAB Cc1nnc(N2CC[C@H]3C[C@H](C(=O)Nc4cnccn4)O[C@@H]3C2)s1 96042825 TYLQZHBDYNJFII-QJPTWQEYSA-N 346.416 1.259 0 40 EDAB CN(Cc1ccco1)C(=O)COCc1nc(-c2ccncc2)no1 96182017 BFOBTHWUTYUYJX-UHFFFAOYSA-N 328.328 1.900 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@H]2[C@H](CNc3cccnc3)CC[C@@H]21 96250190 GKDXCWMNJWXTMO-RCBQFDQVSA-N 327.388 1.536 0 40 EDAB Cc1cnc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)NC2CCC2)cn1 96227817 MBWHEMZGRKLMIY-AWEZNQCLSA-N 328.416 1.696 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CCO1 96426326 MXRRIKSIMXVXLR-AVGNSLFASA-N 343.210 1.810 0 40 EDAB O=C(c1csnn1)N1C[C@H]2CCN(Cc3ccncc3)C(=O)[C@@H]2C1 96082029 HMQCKVYFTPQANB-CHWSQXEVSA-N 343.412 1.054 0 40 EDAB CS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 96109383 GQCBNNMCXSQONT-CJNGLKHVSA-N 338.429 1.134 0 40 EDAB O=S(=O)(C1CC1)N1Cc2ccnn2C[C@H](OCC2CCCC2)C1 247342099 SOHYFPFIIKCLJU-OAHLLOKOSA-N 339.461 1.766 0 40 EDAB CCN1CCOC[C@]2(CC[C@@H](CNc3cc(N(C)C)ncn3)O2)C1 248101227 HOKATBCSYZWENX-YOEHRIQHSA-N 335.452 1.224 0 40 EDAB O=C(NCCc1ccccc1)NCCn1ccc(-c2cnccn2)n1 253472854 QCQLKNMCTHOBDD-UHFFFAOYSA-N 336.399 1.882 0 40 EDAB COCC(=O)N1CCC[C@@H](Cc2ccc(-c3ccnn3C)nc2)C1 257211803 CALXHLCXZMSWTA-HNNXBMFYSA-N 328.416 1.910 0 40 EDAB C[C@@H](CCn1cccn1)NC[C@@H]1C[C@H](F)CN1Cc1ncccn1 583624098 YYVOHPKSYBYBEG-JYJNAYRXSA-N 332.427 1.654 0 40 EDAB CNc1cc(C)nc([C@H]2CN(C(=O)COc3cccnc3)CCO2)c1 257220748 DLZHQRYFSQHBFG-QGZVFWFLSA-N 342.399 1.806 0 40 EDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCc2nnc(C(C)C)o2)[C@H]1O 257251905 JSUUMSORIDQJCV-XJKCOSOUSA-N 347.419 1.511 0 40 EDAB NC(=O)C[C@H]1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 585083421 FROAYEMUVSNNIF-SECBINFHSA-N 336.335 1.682 0 40 EDAB CC(C)c1nc(CON2C[C@@H](C(=O)OC(C)(C)C)CC2=O)no1 585122827 ALNUHIUHLQDUII-JTQLQIEISA-N 325.365 1.815 0 40 EDAB CC(C)(C)CN1CCC[C@@H](N2CCN(CC(F)(F)CO)CC2)C1=O 585116014 DFGUNSGILGGNTK-CQSZACIVSA-N 347.450 1.269 0 40 EDAB Cn1cc(-c2cccs2)nc1CCNC(=O)c1cccn(C)c1=O 85471201 HOYFULPBWJVDAQ-UHFFFAOYSA-N 342.424 1.820 0 40 EDAB O=S1(=O)NC(CNc2ncnc3c2CCC3)=Nc2ccccc21 1615588178 XZWDXOKNHMSDEZ-UHFFFAOYSA-N 329.385 1.399 0 40 EDAB CCOc1ccc(CNS(=O)(=O)[C@H]2CC[C@H](C(=O)OC)C2)cc1 1616041292 NWJJZPCVKCTLTP-ZFWWWQNUSA-N 341.429 1.846 0 40 EDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575403309 HCCZTTOWCFPHBM-INIZCTEOSA-N 346.431 1.109 0 40 EDAB CCn1cc(S(=O)(=O)NC2(C(=O)c3ccc(F)cc3)CC2)cn1 585140158 YQKCSCHZQPIEKC-UHFFFAOYSA-N 337.376 1.736 0 40 EDAB CNc1cc(C(=O)N2CC[C@](O)(COc3ccccc3)C2)ccn1 585276638 ONGLFMBDZHWUEG-GOSISDBHSA-N 327.384 1.779 0 40 EDAB CO[C@]1(CCC(N)=O)CCCN(C(=O)c2cc(F)ccc2F)C1 585277203 GTOGHZQOUJNHJU-INIZCTEOSA-N 326.343 1.852 0 40 EDAB O=C(NCCc1ccccn1)c1c(Br)nc2n1CCC2 585140165 KCIJGAUHYLKNNB-UHFFFAOYSA-N 335.205 1.959 0 40 EDAB O=C(CCn1ccnc1)N1CCO[C@](CO)(Cc2ccccc2)C1 585278049 PPXFFAWMBPINCI-GOSISDBHSA-N 329.400 1.106 0 40 EDAB C/C=C/C=C/C(=O)NC[C@@H](Cc1ccc2c(c1)OCO2)C(=O)OC 585139791 LQFNIPRKSBHBIH-VCEDPINUSA-N 331.368 1.996 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cnn(CC(N)=O)c2)cc1 47251654 AAPRZJBVQABLTD-UHFFFAOYSA-N 336.417 1.467 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1Cc1noc(-c2cccs2)n1 59009968 SJCWOBMKFYOSLC-ZDUSSCGKSA-N 336.398 1.726 0 40 EDAB CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)Nc1cnn(CC)c1 69817220 WBQSUFLCEPZXEA-AWEZNQCLSA-N 340.391 1.708 0 40 EDAB Cc1ccc(NC2CCN(C(=O)[C@@H](C)Cn3cccn3)CC2)nn1 69899536 QMOJGJLPWIDZIM-ZDUSSCGKSA-N 328.420 1.721 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)nc2)cc1 72275920 KCBUBOZNVRKUAR-UHFFFAOYSA-N 335.385 1.735 0 40 EDAB O=C(CN1CC(c2nc(C3CC3)no2)C1)NCCc1ccccc1 70637000 SFTIAFWSDMPPAG-UHFFFAOYSA-N 326.400 1.705 0 40 EDAB CS(=O)(=O)CC1(CC(=O)NCc2ccccc2-n2ccnc2)CC1 72309606 RMXVDAVCSTYNTG-UHFFFAOYSA-N 347.440 1.703 0 40 EDAB COc1ccc(CNC(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1 1565521987 ACIRMISKEPQFKQ-MRXNPFEDSA-N 333.432 1.701 0 40 EDAB O=C1CCCN1CCC(=O)N1CC(OCCCc2ccccc2)C1 75093387 VWOOYVJORSQMOT-UHFFFAOYSA-N 330.428 1.859 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)Cc3c[nH]c4ccccc34)C2=O)cn1 98010381 OWVCKKYMSCCXGS-MRXNPFEDSA-N 337.383 1.366 0 40 EDAB C[C@@H](C(=O)O)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 517564793 IBWDCCPNPNMAFY-TZMCWYRMSA-N 333.388 1.910 0 40 EDAB O=C1[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C(=O)N1Cc1ccccc1 664186520 YUOUIZOKADJVQV-OKILXGFUSA-N 326.331 1.237 0 40 EDAB O=S(=O)(c1cncc(Cl)c1)N1CC[C@@](O)(C(F)(F)F)C1 95437312 VYWJEHUSRDODCB-VIFPVBQESA-N 330.715 1.423 0 40 EDAB CSC1(CNS(=O)(=O)c2cc(F)ccc2NCCO)CCC1 1615046657 WYISMQVESLBJHO-UHFFFAOYSA-N 348.465 1.794 0 40 EDAB O[C@@]1(COc2cccc(F)c2)COCCN(C2CCOCC2)C1 1615191413 LAJNRXQSZFWNNW-QGZVFWFLSA-N 325.380 1.447 0 40 EDAB COc1nsc(OC)c1CNC(=O)c1ccc2nc(O)n(C)c2c1 1615551079 WJJUFNJNUFEMHK-UHFFFAOYSA-N 348.384 1.683 0 40 EDAB COC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@H](C)c1cccc(F)c1 1615550042 POAOKRKYEYPRCO-ABAIWWIYSA-N 333.363 1.563 0 40 EDAB CC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC1CC1 5451814 BDFFKTRMEDYQOP-HNNXBMFYSA-N 341.415 1.869 0 40 EDAB CCCSc1nc(COC(=O)NC)c(COC(=O)NC)n1C 13215549 YAJUJGFVTIUXID-UHFFFAOYSA-N 330.410 1.634 0 40 EDAB CCS(=O)(=O)N1C[C@H](C(=O)NC2CCCC2)Oc2ccccc21 13678696 IMWXLHBLMTVAPX-OAHLLOKOSA-N 338.429 1.663 0 40 EDAB CCCCN(C)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 19796962 ZMSPFLGLLUQOHL-GJZGRUSLSA-N 345.486 1.358 0 40 EDAB Cn1cc(C(=O)NCCCC(=O)N2CCCC2)c(C(F)(F)F)n1 6239553 REUAOFGZRDQPQA-UHFFFAOYSA-N 332.326 1.571 0 40 EDAB CC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccccc2)CC1 35313158 YOOFIRXGXYQYEQ-UHFFFAOYSA-N 342.447 1.823 0 40 EDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375323 CUZJTCOREIJEIC-FGXLMGHOSA-N 345.374 1.365 0 40 EDAB Cn1ncc2c(N3CC[C@@](O)(Cc4ccc(F)cc4)C3)nc(N)nc21 580901990 FIYKBXWGMZYYQK-QGZVFWFLSA-N 342.378 1.269 0 40 EDAB O=C(c1cccnc1)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888850397 ITQRFRHKRIAVEO-IYBDPMFKSA-N 335.411 1.957 0 40 EDAB COCC(=O)N1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 2037841067 VMYXVVMMJMEQCK-KRWDZBQOSA-N 336.363 1.197 0 40 EDAB CC(C)n1ccc(C(=O)N2CCO[C@@]3(CCCCN(C)C3=O)C2)n1 2037985496 LPLKVDWSAJSJQZ-KRWDZBQOSA-N 334.420 1.318 0 40 EDAB O=C(N1CCO[C@]2(CCCN(c3nncs3)C2)C1)C1(F)CCC1 1614928836 SWPQIUQJSQIGGL-CQSZACIVSA-N 340.424 1.628 0 40 EDAB COc1cnc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)nc1 2086988563 DTMSYWCUVXJVQO-UHFFFAOYSA-N 349.398 1.664 0 40 EDAB COc1cnc(O[C@H]2CCN(c3cc(C)nc4cc(C)nn34)C2)nc1 2087030034 DZPMWVRQKLFWCJ-ZDUSSCGKSA-N 340.387 1.802 0 40 EDAB O=C(c1cccc(-n2cccn2)c1)N1CCN(c2ccccn2)C(=O)C1 1565522917 BLEKSMKDZAUXHI-UHFFFAOYSA-N 347.378 1.756 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@]2(C[C@@H](Nc3ccccn3)CO2)C1 1565552880 AWSQKUDQPZWWKR-RIENRQNYSA-N 329.400 1.146 0 40 EDAB CCNc1nc(OC)nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1 4690227 KDBVTAKAPQQXEC-NEPJUHHUSA-N 342.403 1.097 0 40 EDAB CC(C)NC(=O)[C@H]1CCc2c(C(=O)NCC(F)(F)F)ncn2C1 2055715906 JUNKUWJZSWHQJP-VIFPVBQESA-N 332.326 1.262 0 40 EDAB O=C(Cc1c(F)cccc1Cl)N1CC[C@@H](N2C(=O)COC2=O)C1 225701718 CQRPQIIYDPGPEL-SECBINFHSA-N 340.738 1.601 0 40 EDAB COC(=O)N1CCC(CNS(=O)(=O)Cc2cccc(C)c2)CC1 43956745 NSFQGUDXSMGPEV-UHFFFAOYSA-N 340.445 1.893 0 40 EDAB O=C(O)Cn1cnc2c(NC(=O)OCc3ccccc3)ncnc21 34568435 ZBOVBYTWJJUTEO-UHFFFAOYSA-N 327.300 1.660 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N(C)C)cn1 40287637 FXSAYEFJEAMMLY-GFCCVEGCSA-N 332.360 1.041 0 40 EDAB CCN(CC)CCNC(=O)c1c(O)c2ccccc2n(CC)c1=O 100485748 GIEOHBPZLKKRQT-UHFFFAOYSA-N 331.416 1.799 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(C[C@H](O)COc1ccccc1)C2=O 40465573 HNAGQKGRZALRIN-GLJUWKHASA-N 332.400 1.927 0 40 EDAB O=C(c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F)N1CCCCC1 40496966 KDQRHEUJRIPSFQ-UHFFFAOYSA-N 341.293 1.601 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCCCOC(C)C)c1 40479864 MWWHJJXHUFFZBX-UHFFFAOYSA-N 328.434 1.448 0 40 EDAB O=C(NCCCN1CCCCC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 40475471 IPPWWBRYYOEPFB-OAHLLOKOSA-N 333.432 1.620 0 40 EDAB COc1ncccc1CNC(=O)CN1C(=O)CSc2ccccc21 31320456 YKCZXLSNXABOTA-UHFFFAOYSA-N 343.408 1.845 0 40 EDAB C/C(N[C@H]1CCCC[C@H]1N)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 20331895 AVYJCAHDYPQLRZ-YICFRCMRSA-N 348.447 1.531 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)N1CCO[C@@H]2CCCC[C@@H]21 40553913 LLZLULZDMWMDEM-JKSUJKDBSA-N 342.399 1.352 0 40 EDAB O=C1CN(c2ccc(NC(=O)c3cc(Cl)ccn3)cc2)CCN1 40535543 UJINTJXWTNLVOZ-UHFFFAOYSA-N 330.775 1.924 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CC2)C1 51161342 LOBFTFHXJYIIDK-LBPRGKRZSA-N 340.420 1.813 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@@H](c2coc3ccccc3c2=O)S1 201271 WNDWDUPGURANPV-CQSZACIVSA-N 331.353 1.794 0 40 EDAB Cc1nn(C)cc1C1=NO[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 101492911 GRNLWNQNLYGSGD-GXTWGEPZSA-N 344.758 1.674 0 40 EDAB CC(=O)Nc1cccc(C(=O)Nn2cnc3sccc3c2=O)c1 9112477 KYISSGPSOFNOGS-UHFFFAOYSA-N 328.353 1.800 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)NCc1nnc3n1CCCC3)C2 69347926 RRLDODRBAHDOME-ZDUSSCGKSA-N 342.399 1.491 0 40 EDAB CCSCCC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69373565 ZBKOOTPQVVBLSV-UHFFFAOYSA-N 346.456 1.991 0 40 EDAB Cc1nn(CC(=O)NC[C@H]2Cc3ccccc3O2)c(=O)c2ccccc12 46277654 USTRYYIVYUFHPK-OAHLLOKOSA-N 349.390 1.825 0 40 EDAB COc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4512396 QBIXQUUWHHOLLI-XESMGKBJSA-N 345.351 1.375 0 40 EDAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 7248578 CIHYCVUJKPLIEH-CQSZACIVSA-N 345.486 1.891 0 40 EDAB O=C(Nc1nccs1)c1cccc(N2C(=O)CCS2(=O)=O)c1 12005850 NDKFUTGPKQSBLV-UHFFFAOYSA-N 337.382 1.462 0 40 EDAB Cc1ccc2nc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)sc2c1 21668062 QWTPCCPDBFJZPL-LLVKDONJSA-N 339.442 1.967 0 40 EDAB CON(C)C(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C 32978616 PYFWOSWODNMUBH-GFCCVEGCSA-N 334.825 1.663 0 40 EDAB COC(=O)C1=NN[C@@]2(CC(=O)N(c3c(C)cc(C)cc3C)C2=O)C1 547279 QHAPPVDDWGQWES-QGZVFWFLSA-N 329.356 1.136 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCC1(N2CCOCC2)CCCCC1 22411293 DHXUUZYYMBJJMR-UHFFFAOYSA-N 348.491 1.731 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NCCCc2ccccc2)c1 9683413 BZTCMBVGKWJJTE-UHFFFAOYSA-N 332.425 1.957 0 40 EDAB CCOC(=O)C1=C(CSC(=S)N2CCCC2)NC(=O)N[C@@H]1C 22872411 MNAVHQJEZWGAMY-SECBINFHSA-N 343.474 1.619 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)Cn1cnc2ncccc2c1=O 23400344 MCMFWCHLLRIDAX-CQSZACIVSA-N 325.368 1.848 0 40 EDAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CCC[C@@H]3C(=O)O)ccc12 3191846 FHLCGESJLLXQDI-SMDDNHRTSA-N 345.351 1.944 0 40 EDAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)CCn2cncn2)C1 23754065 LRCDWNDSKPTZHU-AWEZNQCLSA-N 327.388 1.546 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCC[C@@H](n2cncn2)C1 76041459 IYJNHLYFSYSKEX-SWLSCSKDSA-N 330.436 1.671 0 40 EDAB C[C@@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@H]1N1CCOCC1 76054253 CWZCOAWCCMMHCH-IUODEOHRSA-N 340.370 1.523 0 40 EDAB CCN(C1CC1)S(=O)(=O)c1cc(C(=O)O)oc1Br 55313329 MMIMSKVYPXUMPA-UHFFFAOYSA-N 338.179 1.913 0 40 EDAB CN1CCN(CCCNC(=O)CSCc2ccc(F)cc2)CC1 20454053 RTBDDSFKWLMAMJ-UHFFFAOYSA-N 339.480 1.813 0 40 EDAB CCOc1cccc(N2CCN(C(=O)NC[C@@H]3CCCN3C)CC2)n1 106546044 YHEYMVSUYTXXJL-HNNXBMFYSA-N 347.463 1.406 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCN(C[C@H](C)O)CC1 106666874 YVNNPKDKCNIAOJ-SOUVJXGZSA-N 337.468 1.180 0 40 EDAB CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)c2ccncc2)CC1=O 106772744 KHZAIQIJSDVYSK-DJIMGWMZSA-N 344.459 1.592 0 40 EDAB C[C@@H]1Oc2c(cccc2C(=O)N(CC(=O)NC2CC2)C2CC2)NC1=O 78504528 BWKSHYFFJXVBFZ-JTQLQIEISA-N 343.383 1.289 0 40 EDAB Cc1ccc([C@H](C)NC(=O)NCCCn2nc3n(c2=O)CCCC3)o1 43720069 BTJNKACATVHTIK-ZDUSSCGKSA-N 347.419 1.733 0 40 EDAB Cc1nn(C)c2cnn(CCNC(=O)c3ccc4c(c3)OCCO4)c12 57279782 TZPHXEVXDWREAU-UHFFFAOYSA-N 341.371 1.279 0 40 EDAB CC[C@H]1CN(Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)CCO1 26130289 SYAVZTZRUITODG-LBPRGKRZSA-N 331.372 1.321 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cccnc3)C2=O)cc1 37868495 NLPFFXYTZOVLFK-DHDCSXOGSA-N 336.351 1.921 0 40 EDAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCCC(=O)O 35686288 JOPQHAUVFSQSED-UHFFFAOYSA-N 333.340 1.634 0 40 EDAB COc1ccc(N2C[C@H](C(=O)NCCn3ccnc3)CC2=O)cc1 44670276 DXQMBHNAFLCUAA-CYBMUJFWSA-N 328.372 1.061 0 40 EDAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)N1CCOCC1 3308804 RARCZMDOEKCCDB-UHFFFAOYSA-N 347.227 1.987 0 40 EDAB COc1ccc(C(=O)N[C@H](C(=O)NN2CCCCC2=O)C(C)C)cc1 58177757 SVDKTMKIUIAYQW-INIZCTEOSA-N 347.415 1.493 0 40 EDAB CCOc1ccccc1OC1CCN([C@@H](C)C(=O)NC(=O)NC)CC1 58179827 APCASSFUUUMHHT-ZDUSSCGKSA-N 349.431 1.773 0 40 EDAB C[C@@H](c1ccncc1)N(C)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 58264790 ASSDJXKWOLVVAG-LBPRGKRZSA-N 338.367 1.304 0 40 EDAB CCCN(C)c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 58281364 SDWXKBMJMIEDAO-UHFFFAOYSA-N 344.415 1.347 0 40 EDAB CN1CCO[C@H](CNC(=O)c2ccc(OCC(F)(F)F)nc2)C1 58281212 CEQUKTFHZMOIGW-LLVKDONJSA-N 333.310 1.083 0 40 EDAB COC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2cc(C)no2)CC1 48287064 YYGSAHYEUCPZJD-AWEZNQCLSA-N 335.404 1.532 0 40 EDAB Cc1nc(CN2CCN(C(=O)NCCc3cccnc3)CC2)cs1 44967839 VHKWNNOGACUVTG-UHFFFAOYSA-N 345.472 1.916 0 40 EDAB Cc1nn(CC(=O)N[C@@H]2CCN3CCCC[C@H]23)c(=O)c2ccccc12 44941788 CJCVENZHJDNNFR-IAGOWNOFSA-N 340.427 1.448 0 40 EDAB CC(C)c1noc(CCCC(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 44939660 OYKXBAPEPHRPOY-NSHDSACASA-N 329.422 1.067 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)N2CCc3ccccc32)c1 44935513 IPIRXMZYGBAIFS-UHFFFAOYSA-N 345.424 1.867 0 40 EDAB CC[C@H](C)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 44966189 NAUFCUHWXGGPSW-LBPRGKRZSA-N 335.429 1.326 0 40 EDAB CN(CC1CC1)C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 58357968 NAGDXSDSZCNYEF-UHFFFAOYSA-N 326.393 1.748 0 40 EDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(C)Cc2cccnc2)C1 58332580 PTDWPCKQEODVIS-AWEZNQCLSA-N 341.433 1.033 0 40 EDAB CN(C)c1cc(C(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)ccn1 58306258 BLGXBTSPENLHFN-IYBDPMFKSA-N 333.432 1.948 0 40 EDAB CC(C)(C)C1CCC(NC(=O)C(=O)NCCN2CCOCC2)CC1 408707011 HRUCDMIYFCIYQJ-UHFFFAOYSA-N 339.480 1.156 0 40 EDAB CN(CCCNS(=O)(=O)c1ncn(C)c1Cl)c1ccccc1 27952932 WVTPPCAVFVACQP-UHFFFAOYSA-N 342.852 1.878 0 40 EDAB CCN1CCC[C@H]1CNC(=O)CCCn1nnc(-c2ccccc2)n1 58401265 UDSYBNVTNHDSHV-INIZCTEOSA-N 342.447 1.721 0 40 EDAB O=C(NCc1nnc2n1CCCC2)NC[C@H]1COc2ccccc2C1 45127402 CFMQUSWZJNGISU-ZDUSSCGKSA-N 341.415 1.665 0 40 EDAB C[C@@H](C(=O)N1CCNC1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12777359 NCOGEDUBTSWVKA-GXTWGEPZSA-N 345.399 1.535 0 40 EDAB O=C(NCc1ccc(-n2cncn2)nc1)c1cc(-c2ccco2)[nH]n1 48326295 RZUJJPACNALLGY-UHFFFAOYSA-N 335.327 1.575 0 40 EDAB C[C@@H]1CCc2ccccc2N1C(=O)CS(=O)(=O)C[C@H]1CCCO1 45359674 BMLGIKZZLNRLTN-UKRRQHHQSA-N 337.441 1.948 0 40 EDAB Cc1ccc(C(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)cn1 48332477 JPVKLCGPZHFWKD-UHFFFAOYSA-N 327.388 1.158 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NCc1ccnc(N2CCCC2)c1 45634784 URVIXNXKOCHNCZ-UHFFFAOYSA-N 328.420 1.757 0 40 EDAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@@H]2c2cccn2C)CC1 59320041 XYMOFYSAMATPSF-MRXNPFEDSA-N 347.463 1.082 0 40 EDAB Cc1ccccc1OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 3565721 OYELTUOPYVKEKP-UHFFFAOYSA-N 348.424 1.380 0 40 EDAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O 3596136 LBWPWYVRKUIWEV-GOSISDBHSA-N 345.399 1.093 0 40 EDAB CNC(=O)CN1CCN(C(=O)c2ccc(-n3cccc3)c(F)c2)CC1 69490583 FCDULOKYOKTZBH-UHFFFAOYSA-N 344.390 1.120 0 40 EDAB CNC(=O)[C@H]1CCCN1CC(=O)NC(=O)Nc1ccc(C)cc1C 69415177 FKVHWMKQHZXMGT-CQSZACIVSA-N 332.404 1.162 0 40 EDAB CCn1cc(CN2CCCN(C(=O)[C@@H](C)n3cccn3)CC2)cn1 69493350 OVGXECCFWZIMDQ-OAHLLOKOSA-N 330.436 1.395 0 40 EDAB CCN1CCC[C@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 69416886 DXXMYCXXQLADOJ-LBPRGKRZSA-N 337.449 1.039 0 40 EDAB CCCn1c(N)cc(=O)n(CC(=O)Nc2ccccc2OCC)c1=O 13016698 QVMGOZDGFODPGY-UHFFFAOYSA-N 346.387 1.040 0 40 EDAB CN1CCN(C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC1 69417436 ITKDWMNAJZCCJX-UHFFFAOYSA-N 331.397 1.926 0 40 EDAB CCOc1ccc(N(CC(=O)N[C@H](C)COC)S(C)(=O)=O)cc1 408621335 RKOQIYKMGBJJQE-GFCCVEGCSA-N 344.433 1.002 0 40 EDAB CC(C)N1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)CC1 13198097 NLOAXKIZKYRQIN-UHFFFAOYSA-N 344.408 1.675 0 40 EDAB CS(=O)(=O)Nc1nc2ccc(C(=O)N3CCOCC3)cc2s1 13688990 CYAPRMOSHUDQAS-UHFFFAOYSA-N 341.414 1.140 0 40 EDAB COc1ccccc1[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccnc1OC 69620500 XCHVDKXGMHYPBF-TZMCWYRMSA-N 341.367 1.710 0 40 EDAB CN(CC(=O)NCc1cccc(COC(C)(C)C)c1)S(C)(=O)=O 69616792 YMEOONPLPARFAH-UHFFFAOYSA-N 342.461 1.509 0 40 EDAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1n[nH]c(=O)[nH]c1=O 8578887 NCVQSAHEYFICTM-OUAUKWLOSA-N 341.433 1.554 0 40 EDAB Cc1ccc([C@H](CNC(=O)N[C@H](C)c2nncn2C)N(C)C)cc1 65468884 ANPWRMXWSODHET-HIFRSBDPSA-N 330.436 1.787 0 40 EDAB C[C@H](C(N)=O)N1CCN(C(=O)CCCOCc2ccccc2)CC1 69744843 FUZNKPVTZOPBHV-OAHLLOKOSA-N 333.432 1.001 0 40 EDAB COc1ccccc1CC1CCN(Cc2nc(N)nc(N)n2)CC1 65593461 QUISSXVRTSSANM-UHFFFAOYSA-N 328.420 1.499 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](c2ccccc2)N2CCSCC2)CC1 65553754 YPNPARIXUJAIKA-KRWDZBQOSA-N 347.484 1.467 0 40 EDAB CC(=O)[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)C(C)C 14145004 JPYNZNKNDQZLQX-AWEZNQCLSA-N 335.335 1.372 0 40 EDAB COCCNC(=O)[C@@H]1CC(c2cccc(Br)c2)=NO1 4504864 LAPBPIWOCSIRMD-LBPRGKRZSA-N 327.178 1.705 0 40 EDAB COc1cccc(S(=O)(=O)CCN[C@@H](C)[C@H](C)n2cccn2)c1 69952290 LZVKHYDELRRBQA-KBPBESRZSA-N 337.445 1.905 0 40 EDAB OCCN1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 69948337 LSODTQODUQZUHV-CQSZACIVSA-N 329.238 1.092 0 40 EDAB CN(C(=O)[C@@H]1[C@H](C(=O)O)C1(C)C)[C@@H]1CCc2ccccc2NC1=O 70666597 KHTOPLGFWYEBPT-HZSPNIEDSA-N 330.384 1.755 0 40 EDAB biogenic COCCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 4776468 HBDRBSRKVYFDGG-UHFFFAOYSA-N 348.424 1.888 0 40 EDAB CC1(C)NC(=O)N(CC(=O)Nc2ccccc2Br)C1=O 6787906 RPZUOZBZYMVZNE-UHFFFAOYSA-N 340.177 1.718 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)NC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1 408503558 SPODZEKWAZIDTK-QJPTWQEYSA-N 339.461 1.786 0 40 EDAB COc1ccccc1-n1cnnc1SCC(=O)NC[C@H]1CCCO1 5885313 GDDUCNLCIXGLGS-GFCCVEGCSA-N 348.428 1.663 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C)nc2)cc1 4985558 NXLAHMGDXUMTCC-UHFFFAOYSA-N 333.413 1.407 0 40 EDAB CCCNC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC 22252464 SKZXEADZOQPQNQ-UHFFFAOYSA-N 344.433 1.630 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(C3CCOCC3)CC2)ccc1F 80827096 NZPCWMQTTOBQNV-UHFFFAOYSA-N 342.436 1.619 0 40 EDAB CC(C)[C@H](C)NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22025138 XKZLJLRGQKUZQD-HNNXBMFYSA-N 347.459 1.694 0 40 EDAB CCN1CCC(NC(=O)CN2CCC[C@@H]2Cn2nc(C)cc2C)CC1 70019224 BBEYAKVRIQMZMD-GOSISDBHSA-N 347.507 1.565 0 40 EDAB CN(C(=O)CN(CCO)c1ccc(Br)cc1)C1CC1 97031958 JTEKUNHNKWWSJK-UHFFFAOYSA-N 327.222 1.869 0 40 EDAB Cc1[nH]cc(C(=O)NCc2ccnn2C)c(=O)c1Br 97080712 MJLHXXOCLAOIGM-UHFFFAOYSA-N 325.166 1.109 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)no1 72231841 VEXUKZAJTJYJMV-KBPBESRZSA-N 332.404 1.343 0 40 EDAB COc1ccccc1-c1nc(-c2c(N)n(C)c(=O)n(C)c2=O)cs1 9446318 BOMYFYVIISVBPL-UHFFFAOYSA-N 344.396 1.465 0 40 EDAB COCC(=O)N1CCN(Cn2ccc(-c3ccc(F)cc3)n2)CC1 71799437 OEZJBGNEQDMKHF-UHFFFAOYSA-N 332.379 1.437 0 40 EDAB CCN(C(=O)Cc1c(C)nn(-c2ccccc2)c1C)[C@H]1COC[C@@H]1O 65492254 CQUCQBFYBFQYES-ROUUACIJSA-N 343.427 1.640 0 40 EDAB NC(=O)c1ccc(CNc2cc(N3CCC[C@@H]3CO)ncn2)cc1 72276001 DWOMPNGXKLRJJX-CQSZACIVSA-N 327.388 1.149 0 40 EDAB Cc1ccc(CCC(=O)N2CCCN(CC(N)=O)CC2)cc1Cl 71829355 UKYZLNORLUCFOB-UHFFFAOYSA-N 337.851 1.601 0 40 EDAB Cc1cc(OCC(=O)N2CCc3nnc(N)cc3C2)ccc1Cl 71859909 WIWNATNTFHQGIR-UHFFFAOYSA-N 332.791 1.984 0 40 EDAB O=C([C@H]1CCCN1C(=O)c1n[nH]c2ccccc12)N1CCSCC1 71898247 DYYZFEFRGBKYPY-CQSZACIVSA-N 344.440 1.743 0 40 EDAB Cn1nccc1[C@H]1CCCN([C@@H]2CCN(CC(F)(F)F)C2=O)C1 72277637 MVAIHRRJKRKCAR-WCQYABFASA-N 330.354 1.763 0 40 EDAB O=C(NCCNC(=O)c1c(F)cccc1F)c1ccc2[nH]nnc2c1 71903078 KFGGBHOAWUFNCZ-UHFFFAOYSA-N 345.309 1.396 0 40 EDAB COc1c([C@@H]2CCCN2CCC(=O)N2CCOCC2)c(C)nn1C 72253763 CGUHAFCYLKHZBG-AWEZNQCLSA-N 336.436 1.123 0 40 EDAB NC(=O)COc1cccc(CNC(=O)c2cc(F)c(F)c(F)c2)c1 72302982 WRXJFRJJOOTCOM-UHFFFAOYSA-N 338.285 1.898 0 40 EDAB Cn1c(CN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)nc2ccccc21 72300818 UNQVBBXOJBDCBE-XIKOKIGWSA-N 341.415 1.383 0 40 EDAB CC(=O)NNC(=O)COC(=O)c1c(Cl)cccc1Cl 97370506 HWCCAPWXGVMJOC-WYVULQQZSA-N 305.117 1.318 0 40 EDAB O=C(N[C@H](CCO)c1ccccc1)[C@H]1CCCN(C(=O)C2CC2)C1 84522410 ZGZPHIZMRSFMMD-DLBZAZTESA-N 330.428 1.875 0 40 EDAB O=C(c1c[nH]nc1-c1ccccc1Cl)N1CCS(=O)(=O)CC1 84514383 JORZXGJRPCIWJC-UHFFFAOYSA-N 339.804 1.601 0 40 EDAB CN(Cc1cccnc1)C(=O)CNC(=O)c1cccc(-n2cccn2)c1 95398008 MXJQQMWSXYYXCO-UHFFFAOYSA-N 349.394 1.656 0 40 EDAB COc1nc(C)ccc1C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 95464514 NTBQZLZAOVDGTI-INIZCTEOSA-N 346.475 1.641 0 40 EDAB CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)NCc1nnc2n1CCC2 95419110 KSYRVNNBFYGQNF-OLZOCXBDSA-N 335.452 1.959 0 40 EDAB CCS(=O)(=O)N1CCN(Cc2cnc(C)n2-c2ccccc2)CC1 95982453 ATBUQVNQKDZTJB-UHFFFAOYSA-N 348.472 1.648 0 40 EDAB O=C(Nc1ncccn1)C1CCN(C[C@@H](O)c2ccccc2)CC1 95951631 OSMZMISZMKFDFQ-MRXNPFEDSA-N 326.400 1.861 0 40 EDAB CCc1nc(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c[nH]1 89279820 SRYAWIBDWOTSRP-IAGOWNOFSA-N 340.427 1.698 0 40 EDAB C[C@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@H]1O 89406595 PJUSGGGIHGVXSK-IINYFYTJSA-N 337.807 1.713 0 40 EDAB Cc1cc(C)c(CNC(=O)NCCc2cn3ccccc3n2)c(=O)[nH]1 75111157 IJTJKXNWZZFVFR-UHFFFAOYSA-N 339.399 1.681 0 40 EDAB CN(Cc1ccccn1)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 75137152 YNYWNFZCZQUHFM-UHFFFAOYSA-N 335.367 1.638 0 40 EDAB O=C(CN1C(=O)CCC1=O)OCC(=O)c1ccc(Cl)cc1Cl 60384655 UCGZQMGUAALTSM-UHFFFAOYSA-N 344.150 1.868 0 40 EDAB COc1ccc(CSCC(=O)NCCCN2CCOCC2)cc1 408573358 CMKJTPVSWDQSIZ-UHFFFAOYSA-N 338.473 1.767 0 40 EDAB O=C(NCCO)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408964535 TWTYVDUROOWUCF-UHFFFAOYSA-N 345.226 1.954 0 40 EDAB CC(C)CC(=O)N1CCN(CCC(=O)NC(=O)NC(C)(C)C)CC1 32909386 GOEYPZRUEKUNNS-UHFFFAOYSA-N 340.468 1.191 0 40 EDAB Cc1cc(C(=O)NCc2cccc(-n3ccc(C(=O)O)n3)c2)ncn1 526043097 CLXKNROQBQBFMP-UHFFFAOYSA-N 337.339 1.599 0 40 EDAB CCCN(CC(F)F)C(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 76587592 DMVQRXWXKHXRNN-UHFFFAOYSA-N 346.399 1.940 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@]1(C)Oc2ccccc2NC1=O 71195591 XKJZLTOVYSRZRS-SGTLLEGYSA-N 340.383 1.704 0 40 EDAB CSc1nc2ncc3c(=O)n(NC(=O)C(C)C)c(C)cc3n2n1 38784056 QMUXCWIXNHBIGW-UHFFFAOYSA-N 332.389 1.196 0 40 EDAB N[C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccc2c(c1)OCO2 72227577 GTAINGLNQBNMFF-CVEARBPZSA-N 326.308 1.559 0 40 EDAB COc1ccccc1OCC(=O)N(CCC(=O)O)C1CCOCC1 558915392 ICGJINCJKFSBJB-UHFFFAOYSA-N 337.372 1.556 0 40 EDAB COc1ccc(NC(=O)C[C@H]2Cn3ncnc3N=C2O)c(OC)c1 40386509 SHNMOHOOGQRTNI-VIFPVBQESA-N 331.332 1.542 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCc2cnc3ncnn3c2)s1 225646122 ONBJAIVATTVXFE-UHFFFAOYSA-N 337.430 1.405 0 40 EDAB CC(C)CNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223625824 FKMAMRGJHQAMEY-LBPRGKRZSA-N 328.434 1.622 0 40 EDAB C[C@@H]1CC[C@H](CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)O1 190307644 ODTNPXBUWYWMEA-NVXWUHKLSA-N 338.473 1.702 0 40 EDAB C[C@@H](C(=O)NCc1ccc(F)cc1F)n1nnc2ccccc2c1=O 44450547 IMGVDYSKPCISNI-JTQLQIEISA-N 344.321 1.947 0 40 EDAB COc1cccc(NC(=O)NCCCc2cnc3ncnn3c2)c1 225645843 KWHKZWSWGJEWSP-UHFFFAOYSA-N 326.360 1.887 0 40 EDAB CCN1CCN(C[C@H](O)COCCOc2ccc(F)cc2)CC1 41690245 TUQOICJMPGBSKU-INIZCTEOSA-N 326.412 1.220 0 40 EDAB Cc1nsc(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)n1 81457473 AIZTYNVRMIIVIF-UHFFFAOYSA-N 342.428 1.545 0 40 EDAB Cn1nnc2c1[C@H](COCc1ccccn1)CN([C@@H]1CCOC1)C2 96045497 HFDXOIOBWDSANI-DZGCQCFKSA-N 329.404 1.115 0 40 EDAB CO[C@@H]1CCN(Cc2cnn(C)c2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96207970 LEUIHZPNVMOCQP-IPMKNSEASA-N 341.459 1.536 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)CC1CC(F)(F)C1)C1CCOCC1 581603219 OURYYOCPJFFDQT-LLVKDONJSA-N 341.376 1.079 0 40 EDAB CC(C)Nc1ccnc([C@@H]2COCCN2C(=O)c2cscn2)n1 96218722 VVCBUUOJWJQSPO-LBPRGKRZSA-N 333.417 1.967 0 40 EDAB Cn1ccnc1CN1CC[C@]2(COCCN(Cc3ccoc3)C2)C1 96062349 PFNNDBDPHJQIJU-SFHVURJKSA-N 330.432 1.738 0 40 EDAB CN(CCNS(C)(=O)=O)Cc1ccc(Br)c(F)c1 96451996 RSNGBVMPMXMTLN-UHFFFAOYSA-N 339.230 1.569 0 40 EDAB O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(C4CCCC4)C3)N2C1 514288975 HOIHFJAYFSAOAS-WOJBJXKFSA-N 341.499 1.934 0 40 EDAB biogenic,in-vitro Cc1noc(C[C@]23COC[C@H]2CN(Cc2ccc4c(c2)OCO4)C3)n1 96206174 QEOVEJVYIPNUOX-KDOFPFPSSA-N 343.383 1.798 0 40 EDAB O=C(Cc1ccsc1)N1CCc2ncc(Cn3cccn3)n2CC1 96196964 AEWCOVUKWNXZDC-UHFFFAOYSA-N 341.440 1.817 0 40 EDAB CC(C)CN1C[C@H]2CCN(Cc3cccnc3)CC[C@H]2S1(=O)=O 96145609 LTURERPUCPWMGP-IAGOWNOFSA-N 337.489 1.964 0 40 EDAB O=C1NCC[C@]12CCCN2S(=O)(=O)c1cc(F)cc(Cl)c1 583650919 BPFRNUWMJSGDAN-CYBMUJFWSA-N 332.784 1.522 0 40 EDAB O=C(O)c1cccc(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)n1 91693653 HBWQISJAENXGPN-ZBFHGGJFSA-N 349.431 1.079 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cnn(-c3ccccn3)c1C)C2 97198282 YYTIZFMYZPAJSI-CQSZACIVSA-N 336.399 1.825 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N2CCc3ccc(F)cc3[C@H]2C)CCO1 245339351 SEPIPQLDQGZNOE-VXGBXAGGSA-N 328.409 1.710 0 40 EDAB CN(C)C(=O)CO[C@@H]1CN(CC2CCOCC2)Cc2cccn2C1 247973519 HZRYRNSBQLAQKH-QGZVFWFLSA-N 335.448 1.204 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(CN2CCCC2)CC1 257221402 DOXRNTIGAVVKJQ-GOSISDBHSA-N 334.464 1.408 0 40 EDAB CCOCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2C 257342924 ZQQAAOLIGUOMIU-KZNAEPCWSA-N 332.444 1.978 0 40 EDAB CC[C@@](O)(C(=O)N[C@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1 252500179 SOHCTZNNIWQEFU-YOEHRIQHSA-N 348.834 1.969 0 40 EDAB Cn1ncc(C(=O)OC(C)(C)C)c1NS(=O)(=O)c1cccnc1 585129671 RDNIYXOABYXQCI-UHFFFAOYSA-N 338.389 1.571 0 40 EDAB C[C@H](CCO)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCOC2 585122080 MRFGKFQHHPQIJS-AYBZRNKSSA-N 332.444 1.412 0 40 EDAB O=C(NC[C@H]1CC(C(F)(F)F)=NO1)NC1CCN(CC2CC2)CC1 585137647 MIVKQSZWVWCOIO-GFCCVEGCSA-N 348.369 1.867 0 40 EDAB COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1Br 252479903 BPJAPOWKWYTFKT-UHFFFAOYSA-N 342.598 1.554 0 40 EDAB CS(=O)(=O)C1(C(=O)NCc2nccn2-c2ccccc2)CCC1 252497779 QPLUJNVLXDFIAW-UHFFFAOYSA-N 333.413 1.456 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(C(=O)c2ccc3oc(C)cc3c2)C1 257211643 BZRTUZRCGWUHDM-HNNXBMFYSA-N 329.400 1.491 0 40 EDAB Cc1nccc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)n1 257295910 RAKFFXUSVGIRJW-HOTGVXAUSA-N 328.372 1.225 0 40 EDAB Cc1c(CCC(=O)N2CCC[C@H](c3ccnc(O)n3)C2)cnn1C 257303872 SJDBTBGUYXKJMU-AWEZNQCLSA-N 329.404 1.563 0 40 EDAB O=S(=O)(NC[C@@H](O)CCc1ccccc1)c1ccc2c(c1)OCO2 273035701 CWFFNBCVKPBNMF-AWEZNQCLSA-N 349.408 1.687 0 40 EDAB COc1ccc2cc(CN(C)C[C@@H]3COC[C@@H](O)[C@H]3O)ccc2c1 585290829 HCCGZRFSPUADLC-QRQLOZEOSA-N 331.412 1.648 0 40 EDAB CCN(C(=O)c1c(C)oc2ccc(OC)cc12)[C@@H]1COC[C@@H](O)[C@H]1O 585287246 VLYIXRPWVIMNBI-CPUCHLNUSA-N 349.383 1.333 0 40 EDAB CN1CCC(CO[C@@H]2CN(C(=O)C3(F)CCC3)[C@@H]3COC[C@H]23)CC1 585108140 ATNAIHYUSURNHG-ARFHVFGLSA-N 340.439 1.463 0 40 EDAB Cc1cc(CN2CC3(C[C@H](COCc4ccncc4)CN3C)C2)n[nH]1 585093890 NARGAQCPZSBZTK-KRWDZBQOSA-N 341.459 1.836 0 40 EDAB Cc1cncc(C(=O)N2CC[C@H](Cc3ccccc3F)[C@H](O)C2)n1 585278860 HTZOVWYEJJGLGS-RHSMWYFYSA-N 329.375 1.990 0 40 EDAB COc1cc(Cl)cc2cc(C(=O)N[C@@H]3CC[C@@H](O)[C@@H]3O)oc12 585267159 BMAGJIARDNFLSF-GIPNMCIBSA-N 325.748 1.709 0 40 EDAB CCOC(=O)C1CCN(Cc2c(O)nnn2-c2ccccc2)CC1 49979542 JQSMZBCIRBEMHI-UHFFFAOYSA-N 330.388 1.748 0 40 EDAB CCN1CCN(C(=O)c2cn(CCN(C)C)c3ccccc23)CC1 69442750 VHGFRAFFWTZSQU-UHFFFAOYSA-N 328.460 1.981 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)c2cccc(F)c2)CC1 69529750 MYAJFEQOQFKUGU-UHFFFAOYSA-N 327.359 1.748 0 40 EDAB NC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c2ccccc21 69656734 QNHHJXSREZITRS-CJNGLKHVSA-N 349.390 1.655 0 40 EDAB CN(C)C(=O)N1CCC(N[C@H](CO)Cc2c[nH]c3ccccc23)CC1 95985029 UAPGGWCKVNLTFF-INIZCTEOSA-N 344.459 1.807 0 40 EDAB O=C(CN1C(=O)CCC1=O)N1CCC(CSc2ccccn2)CC1 85557583 ARNYCZOCRBXZCL-UHFFFAOYSA-N 347.440 1.561 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C12CCC2 89985836 USILRUIUALHINH-CHWSQXEVSA-N 344.415 1.648 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CC[C@H](Oc2nccs2)C1 585320361 XOXGBBYIYDJMDE-FZMZJTMJSA-N 332.381 1.963 0 40 EDAB COc1cc(OC)nc(N2CCN(c3nc4ccccc4o3)CC2)n1 804432943 QIHQBSVJCUKOHP-UHFFFAOYSA-N 341.371 1.962 0 40 EDAB O=C(c1csnn1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160443 RHCDFKSFWDFCJG-MRXNPFEDSA-N 344.396 1.186 0 40 EDAB COC(=O)c1ccc(-c2noc(C[C@]3(O)CCCN(C)C3)n2)cc1 1615621565 MFNKAWNNPACJKV-QGZVFWFLSA-N 331.372 1.522 0 40 EDAB CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC[C@H](O)c1cnn(C)c1 1616034161 AHTYIRUKRDRIDI-SNPRPXQTSA-N 340.468 1.981 0 40 EDAB CC1CCN(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)CC1 11461994 MGNWCPCRCQZKDI-UHFFFAOYSA-N 328.368 1.943 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)Cn1c(=O)n(C(C)C)c2ncccc21 12117587 XTDLJZPHXQDKKW-UHFFFAOYSA-N 342.403 1.768 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NCC1(c2ccccc2)CCOCC1 12239650 LDQBKGAJONMAAP-UHFFFAOYSA-N 349.456 1.755 0 40 EDAB Fc1ccc([C@@H](CNc2ncnc3[nH]ncc23)N2CCOCC2)cc1 12547877 AVKJCBQMSGLTIM-OAHLLOKOSA-N 342.378 1.977 0 40 EDAB CN1N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 19169948 HZVOWVGSMXQICA-OWCLPIDISA-N 329.400 1.570 0 40 EDAB O=C(CN1CCC[C@H]1c1n[nH]c(-c2ccncc2)n1)N1CCCC1 19405804 WWOCOOQZTZGITI-AWEZNQCLSA-N 326.404 1.626 0 40 EDAB CCOCCCNC(=O)Cn1nc(-c2ccc(OC)cc2)ccc1=O 35315675 GVFHZDJRXMKUHU-UHFFFAOYSA-N 345.399 1.462 0 40 EDAB COCCNC(=O)NC(=O)COC(=O)c1oc2ccccc2c1C 9457853 XLJIQIIMEDCFQB-UHFFFAOYSA-N 334.328 1.370 0 40 EDAB NC(=O)C[C@H]1CCCCN1CC(=O)NC1C2CC3CC(C2)CC1C3 519024032 JTHGJJNHLKKSQT-IRJKRNAASA-N 333.476 1.657 0 40 EDAB CCN1C(=O)NC2(CCN(C(=O)Cc3ccc(OC)cc3)CC2)C1=O 11612487 WTKUMYUYSKEBAA-UHFFFAOYSA-N 345.399 1.171 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cc[nH]n5)C[C@H]4C3)n1)CCC2 1888867117 SZXUTKQYNSMLNQ-CHWSQXEVSA-N 338.415 1.205 0 40 EDAB O=C(CCc1c[nH]c2ccccc12)NCc1nnc2c(O)nccn12 238881412 PIVMSKZTNWMYPO-UHFFFAOYSA-N 336.355 1.560 0 40 EDAB O=C(c1ccc(-c2ccsc2)cc1)N1CC(N2C(=O)CNC2=O)C1 244983775 IQWCCRUBCCKWBV-UHFFFAOYSA-N 341.392 1.791 0 40 EDAB COc1ccc(CC(=O)N2CC[C@H]3CN(C)CCO[C@@H]3C2)cc1F 1565548108 RLJXNGISLALSCE-WMLDXEAASA-N 336.407 1.556 0 40 EDAB O=C(NC1CC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1)c1cscn1 1565544852 STXSVKWAAVQRTL-CVNLIECRSA-N 347.440 1.146 0 40 EDAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)CC1=O 1565554049 QCWPMOMRAMXXPI-KSSFIOAISA-N 347.415 1.279 0 40 EDAB Cc1ccc(OCC(=O)NCc2nnnn2-c2ccc(F)cc2)cc1 17042949 KQNKEZBANVFRLA-UHFFFAOYSA-N 341.346 1.805 0 40 EDAB COc1ccc(CC(=O)N2CC[C@@H](Oc3ccncn3)C2)cc1OC 575610211 FAIUKBADBDNJCM-CQSZACIVSA-N 343.383 1.716 0 40 EDAB CN1CCN(CCc2cn3ncnc3nc2-c2ccc(F)cc2)CC1 20218657 WVZHYJOBEBUHNT-UHFFFAOYSA-N 340.406 1.720 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCC1=CCCCC1 100455128 GOAMFDINFKIMQQ-NXNVCVFFSA-N 328.412 1.800 0 40 EDAB COc1ncccc1CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 31321756 RGIXHWGGNCXTCW-CYBMUJFWSA-N 329.331 1.972 0 40 EDAB CC(C)Oc1ccc([C@H]2CC(=O)N(CN3CCOCC3)C2=O)cc1 100674364 RMUPZSSPNZZGON-MRXNPFEDSA-N 332.400 1.606 0 40 EDAB Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 40527686 OVODCGPCIFQKER-HNNXBMFYSA-N 346.456 1.872 0 40 EDAB CCN(CC)C(=O)N1CCN(Cn2c(=O)oc3ccccc32)CC1 40520028 GLUGWBZTTJUDSM-UHFFFAOYSA-N 332.404 1.631 0 40 EDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)[C@@H]1CC(=O)N(Cc2ccco2)C1 40534793 LCZSUHRJCKJBFU-FVQBIDKESA-N 331.416 1.371 0 40 EDAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)NC1CC1 32072835 NZOUJSDAXCVMKK-GUYCJALGSA-N 343.427 1.459 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2CCc3sccc3C2)c(C)o1 81590637 DOBCGWNDAGECQI-UHFFFAOYSA-N 340.426 1.756 0 40 EDAB Cc1ccc2c(c1)[C@H](CC(=O)N1Cc3cnn(CCO)c3C1)C(=O)N2 102248456 FAWRMHVTYLRZTQ-AWEZNQCLSA-N 340.383 1.152 0 40 EDAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H](C(N)=O)C1 41128868 REHRILAIKZPRGJ-ZJUUUORDSA-N 341.205 1.550 0 40 EDAB CONC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 32848400 QOGIMGKSKYWVEQ-UHFFFAOYSA-N 326.418 1.471 0 40 EDAB CC[C@@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)O 4064962 WDOUZMRSHAVKKA-CYBMUJFWSA-N 333.340 1.632 0 40 EDAB biogenic CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)O)ccc12 489006 WCXZKKJUSFIZLR-JTQLQIEISA-N 333.340 1.714 0 40 EDAB biogenic Cc1cccc(Cn2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)c1 102603246 UZRFOVBQZBITPB-SRABZTEZSA-N 337.379 1.907 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@H]3OC(C)(C)O[C@@H]23)cc1 4973244 PCJMDKXWTOBFHV-MCIONIFRSA-N 327.402 1.192 0 40 EDAB COCCNC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 6326681 ZFHCUCCWAQAQTB-UHFFFAOYSA-N 342.461 1.316 0 40 EDAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)CC)c(=O)[nH]c1=O 6580506 XNZJLDUTFBWRRX-UHFFFAOYSA-N 334.376 1.455 0 40 EDAB COc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccccc2)cc1 8476344 KMZAYFQBVYWDIS-UHFFFAOYSA-N 338.367 1.665 0 40 EDAB COc1ccc(CCNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 8187319 YEYMEXVBOCBHAQ-GOSISDBHSA-N 345.399 1.074 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)CCc3cscn3)CCO2)n1 76045922 XUPCGPGNZDSYLF-LBPRGKRZSA-N 335.433 1.746 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCCn3cncn3)CC2=O)c(F)c1 41863206 GZCAJHXDIMYJLD-ZDUSSCGKSA-N 345.378 1.285 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)CCc1nc(-c2cccnc2)no1 46781664 GDCFUDDUVZSXTR-GFCCVEGCSA-N 326.360 1.466 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)Cn2c(=O)n(C)c3ccccc32)no1 76043218 NMGWHATZPWOEIP-AWEZNQCLSA-N 341.371 1.395 0 40 EDAB COC(=O)C(=O)[C@@H]1CCc2c(Cl)cc(OC)c(OC)c2C1=O 102872414 NJKPEOWCNNFGGQ-MRVPVSSYSA-N 326.732 1.844 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)N1CCN(c2ccncc2)CC1 47003136 CMPNQBCDRKSKFZ-MRXNPFEDSA-N 340.431 1.724 0 40 EDAB COc1cc(/C=C/C(=O)N(CC(N)=O)C2CCCC2)cc(OC)c1 47236633 LOZOVGOTHBNKQS-BQYQJAHWSA-N 332.400 1.974 0 40 EDAB O=C(NCCC(=O)N1CCOCC1)[C@@H]1CCCO[C@@H]1c1ccccc1 54654272 RBFCHXNESNTAIQ-SJLPKXTDSA-N 346.427 1.519 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@@H]2CCCO2)CC1 24286414 UPRDNRZEWBZNJE-HNNXBMFYSA-N 346.383 1.771 0 40 EDAB C[C@H](NC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1cccnc1 106095778 TXFOURFIAZZJIX-XIRDDKMYSA-N 348.447 1.179 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@@H](C)C(=O)N1CCCC1 78890556 AZLYWODPXDOEEK-JLJPHGGASA-N 334.464 1.715 0 40 EDAB C[C@@H](CNS(=O)(=O)c1cccc2cnccc12)N1CCOCC1 55238931 BWFSPNKDYWVWEM-ZDUSSCGKSA-N 335.429 1.234 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 25134076 ZHRSJKVAKDOQOR-LBPRGKRZSA-N 332.356 1.433 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H](C)c2c(C)nn(C)c2C)C[C@H]1N1CCOCC1 107323399 AOEPSLNYJFOITQ-KBRIMQKVSA-N 348.491 1.710 0 40 EDAB CCCCn1c(=O)c2sccc2n(CC(=O)N[C@H](C)CC)c1=O 57427150 GKLLGRMQNJNKBO-LLVKDONJSA-N 337.445 1.940 0 40 EDAB C[C@@H](OC(=O)c1cccnc1)C(=O)NCc1ccc2c(c1)OCO2 3286868 SHULRZSSPLCSGN-LLVKDONJSA-N 328.324 1.672 0 40 EDAB C[C@@H](c1nnc(-c2ccccc2)o1)N1CCO[C@H](Cn2cncn2)C1 70011625 NKDHIXMTQAIXPI-ZFWWWQNUSA-N 340.387 1.790 0 40 EDAB CC(C)[C@@H](C)NC(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F 69389805 JXOPOHXVZWLXFH-SNVBAGLBSA-N 338.383 1.597 0 40 EDAB CC[C@@](C)(NC(=O)Cn1cccc(C(F)(F)F)c1=O)C(=O)OC 58197479 IPSABIQEBDUIPF-CYBMUJFWSA-N 334.294 1.325 0 40 EDAB CC(C)COCCC(=O)N1CCC(NC(=O)c2cccnc2)CC1 58209974 YZERFXZPOWZYJF-UHFFFAOYSA-N 333.432 1.865 0 40 EDAB CCCN1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 36115801 KIIGZUPGLHKAKS-UHFFFAOYSA-N 328.434 1.420 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 44979793 AYTSVOBKMLOXAJ-CABCVRRESA-N 332.400 1.144 0 40 EDAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N[C@H]1CCCCNC1=O 44966478 PDIDHKNFFSLZGL-KBPBESRZSA-N 334.420 1.384 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(Cc2nnnn2-c2ccccc2)C1 44950520 XLQRJFULLUAURJ-OAHLLOKOSA-N 340.431 1.401 0 40 EDAB CCOc1ccc(S(=O)(=O)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 44947579 HSKINZWPZQLYBM-GXTWGEPZSA-N 341.429 1.543 0 40 EDAB Cc1nc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cs1 58366024 VBVBNLCXECIZLV-HNNXBMFYSA-N 330.369 1.758 0 40 EDAB CNc1snc(C)c1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 28017775 TYYVHXKXMXVUAJ-GFCCVEGCSA-N 326.466 1.580 0 40 EDAB COC[C@@H](C)NC(=O)COC(=O)CCc1nc2ccccc2s1 3334754 RLJCYUQWNXPKPA-LLVKDONJSA-N 336.413 1.923 0 40 EDAB Cc1n[nH]c2c1[C@@H](c1ccc(O)c(Cl)c1)c1c([nH]c(=O)[nH]c1=O)N2 36353183 OEZMLOAHGPIUQN-SNVBAGLBSA-N 345.746 1.691 0 40 EDAB C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc(-n2ccnc2)cc1 12791786 QJSFHCMLHISFOX-GFCCVEGCSA-N 325.372 1.658 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NCCN1CCc2ccccc2C1 48342896 WGUVGYFBEFXEFN-OAHLLOKOSA-N 327.432 1.629 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 306127514 GAMOPLBDGCQPCJ-CQSZACIVSA-N 340.445 1.427 0 40 EDAB CCN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)Cc1cccc(F)c1 13002462 XLHORINEVHMEPC-MRXNPFEDSA-N 342.436 1.341 0 40 EDAB COCCS(=O)(=O)Cc1ccc(I)cc1 91557673 DTHBPKOYFXDNJJ-UHFFFAOYSA-N 340.182 1.852 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccccc2SCC(N)=O)cn1 64370395 KETVFRXJQCMPIO-NWDGAFQWSA-N 330.413 1.740 0 40 EDAB COC[C@@H](C)N1CCN(C(=O)[C@H](C)Oc2cccc(C(C)=O)c2)CC1 69846635 VKRXLZOCWSVWBY-ZBFHGGJFSA-N 348.443 1.836 0 40 EDAB CNC(=O)c1cccc(NC(=O)N[C@@H]2CCCN(C(=O)OC)C2)c1C 69581236 LNCGYXULHGXXIQ-GFCCVEGCSA-N 348.403 1.707 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CCSCC2)C1 69581158 NDRWQPXIUAWLKQ-JKSUJKDBSA-N 347.484 1.500 0 40 EDAB COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(COC(C)=O)O1 409298214 NWSMLAXGOOACII-FSZRXZPDSA-N 343.335 1.071 0 40 EDAB Cc1cc(CN2CCN(S(=O)(=O)c3cccs3)CC2)no1 17284459 MOELIIWWRXFZQZ-UHFFFAOYSA-N 327.431 1.551 0 40 EDAB CC(C)N1CCN(C(=O)NCc2nncn2-c2ccccc2)CC1 65390724 QACWXDPXLGKWTM-UHFFFAOYSA-N 328.420 1.503 0 40 EDAB C[C@@H]1CN(C(=O)Cn2c(S)nnc2-c2cccs2)C[C@@H](C)O1 17327366 ZLXZEWXCVUKDPZ-NXEZZACHSA-N 338.458 1.931 0 40 EDAB CC(C)Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)n(C)n1 65405179 XBHFNKDIYOGFFA-MRXNPFEDSA-N 340.427 1.671 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H](C2CC2)N(C)C)[nH]n1 65499324 JOWDXADLGRAWHQ-HNNXBMFYSA-N 330.436 1.497 0 40 EDAB COCc1ccccc1NC(=O)CS(=O)(=O)N1CCC(C)CC1 65585707 ROJCCBUOFHOFRX-UHFFFAOYSA-N 340.445 1.833 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(N(C)C)n1C(C)C 69700935 KPLDNHWMOJNXQB-VIFPVBQESA-N 328.442 1.251 0 40 EDAB COC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 66156104 CEYUGEMVUVZLIN-SNVBAGLBSA-N 328.771 1.798 0 40 EDAB Cc1cc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)no1 5701541 LJYGYAAYYXROFN-UHFFFAOYSA-N 347.346 1.628 0 40 EDAB O=C(O)CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccco1 4844092 KYCKWRILHUFZMA-ACCUITESSA-N 328.324 1.641 0 40 EDAB CCOC(=O)c1c[nH]c2ccccc2c1=NCCCN1CCOCC1 5958593 LTBUNCBYIDTFJK-UHFFFAOYSA-N 343.427 1.968 0 40 EDAB CC(C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7376015 GTHTZSYUWWERGM-UHFFFAOYSA-N 346.474 1.500 0 40 EDAB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(O)CC3)cc21 26740199 BUZRYEUCJVTZNX-UHFFFAOYSA-N 335.335 1.370 0 40 EDAB in-vitro C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCc2cccc(Cl)c2)C1=O 7478896 RVPAJVWZFVKABY-KRWDZBQOSA-N 349.818 1.719 0 40 EDAB CCCc1cc(=O)[nH]c(SCn2nnc3ccccc3c2=O)n1 16049346 ZFMLIJYKAOIIHE-UHFFFAOYSA-N 329.385 1.577 0 40 EDAB COc1cccc(C(=O)O[C@H](C)C(=O)Nc2ncnc3nc[nH]c23)c1 9513397 YTQQVQLCRPZAKB-SECBINFHSA-N 341.327 1.546 0 40 EDAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)C2)c(OC(F)F)c1 71894453 YIOMAURBBBLEMM-SECBINFHSA-N 342.298 1.491 0 40 EDAB CNC(=O)c1ccc(CNC(=O)NCCN(C)C2CCCC2)cc1 71856606 MHPASIGHUABDFD-UHFFFAOYSA-N 332.448 1.720 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3ccccc3-n3cnnn3)C2)c1 71870921 MWZSSLFXTHLWJQ-CQSZACIVSA-N 337.387 1.645 0 40 EDAB O=C(NCc1nccn1CCc1ccccc1)N1CCC[C@H](O)C1 83751526 CGGAHRJHHUNBEI-INIZCTEOSA-N 328.416 1.792 0 40 EDAB CN1CCc2c(sc3nc(NN)n(-c4ccccc4)c(=O)c23)C1 19904558 HZJGXQFWBHNTMA-UHFFFAOYSA-N 327.413 1.721 0 40 EDAB CN1C[C@H](NC(=O)c2c[nH]nc2-c2ccc(F)c(Cl)c2)CC1=O 79020866 YAEUFNPOIUQREP-SECBINFHSA-N 336.754 1.830 0 40 EDAB CN1CCN(CC(=O)N[C@H]2CCCc3ccccc32)C(C)(C)C1=O 79074698 AKFPFCJKPRLZQK-INIZCTEOSA-N 329.444 1.733 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cnn(C)c2)C1=O 95398147 IEFSKDPEZUMFSV-AWEZNQCLSA-N 330.363 1.793 0 40 EDAB COC(=O)[C@@H](O)CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1 95448402 MKGGKDLKZKGNGK-HNNXBMFYSA-N 348.399 1.469 0 40 EDAB CC(=O)N1CCN(C(=O)c2cc(C)ccc2N2CCCC2=O)CC1 74165568 PGJCSRKEWIJQBT-UHFFFAOYSA-N 329.400 1.426 0 40 EDAB CC(C)COC1CCN(C(=O)CN(C)c2ncnc3[nH]cnc23)CC1 95954354 BFZYNFCPKKLSCP-UHFFFAOYSA-N 346.435 1.453 0 40 EDAB CNS(=O)(=O)c1ccc([C@H](C)NCc2nnc(C(C)C)o2)cc1 95984622 DEMXFBMTSIKLAL-NSHDSACASA-N 338.433 1.952 0 40 EDAB CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2nccc(OC)n2)C1 95999534 RJLCPKXVCNEXPJ-NSHDSACASA-N 345.407 1.734 0 40 EDAB Cc1cc(NCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)n2ncnc2n1 95960405 APXINQPXFJIXLA-HUUCEWRRSA-N 336.399 1.765 0 40 EDAB CC(C)n1cc([C@H](C)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cn1 89894029 SAMQCZVFIANXJW-LZLYRXPVSA-N 336.480 1.852 0 40 EDAB Cc1nc(-c2cccc(NC(=O)N[C@H]3CCc4ncnn4C3)c2)no1 119976804 GJHMKWKFUCQKQE-ZDUSSCGKSA-N 339.359 1.773 0 40 EDAB O=C(Nc1nc2ccccc2[nH]1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 42348022 TYQLWANJIACESB-GFCCVEGCSA-N 335.367 1.945 0 40 EDAB CCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 409026613 UNUFVVMBXDAGRM-UHFFFAOYSA-N 325.217 1.896 0 40 EDAB CC(=O)NCC1CCN(c2cncc(-n3nc(C)cc3C)n2)CC1 78979729 GUIXPFVGHRUUMO-UHFFFAOYSA-N 328.420 1.632 0 40 EDAB Cc1cc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)no1 30600808 UCAWEWWPDDGIEB-UHFFFAOYSA-N 349.412 1.995 0 40 EDAB CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccccc1 218030848 GUFHFHYWKSVMPA-YDHLFZDLSA-N 327.471 1.896 0 40 EDAB Cn1nnnc1S[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 188739460 CMCGCIBJOGVVCF-LBPRGKRZSA-N 339.371 1.772 0 40 EDAB O=C(O)[C@H]1CC[C@H](CNS(=O)(=O)CCC2CCOCC2)CC1 563614772 CNDVYIKPMIPBKN-HDJSIYSDSA-N 333.450 1.614 0 40 EDAB CSC[C@@H]1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1 73909388 KGOLWSFBCRENAD-MRXNPFEDSA-N 348.516 1.805 0 40 EDAB O=C1N[C@]2(C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCO2)Nc2ccccc21 72327440 JWZZKZSJYROUJW-IQFXKTMKSA-N 327.384 1.481 0 40 EDAB C[C@H]1C[C@H](c2ccccc2)N2NC(NC(=O)CCCC(=O)O)=NC2=N1 33902891 GKVNAJZHAUBRTQ-WCQYABFASA-N 343.387 1.423 0 40 EDAB C[C@](O)(CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1 62021790 OJOOELAZAYOBQW-AWEZNQCLSA-N 330.306 1.921 0 40 EDAB C[C@@H](NS(=O)(=O)N1CCC(C(=O)O)CC1)c1cccc(F)c1F 564653442 GTXVWFSKMRUYFB-SECBINFHSA-N 348.371 1.657 0 40 EDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCS(=O)(=O)C1 40466531 HHOFPGGLZIIKHM-SNVBAGLBSA-N 344.820 1.172 0 40 EDAB O=S1(=O)CCC[C@H]1CNCc1cnn(Cc2ccc(F)cc2)c1 189307044 FLXAFNHZMYBMED-INIZCTEOSA-N 337.420 1.737 0 40 EDAB Cc1cc(CNC(=O)[C@@H](C)Oc2ccn(-c3ccccc3)n2)n(C)n1 226853134 RNXRRNCFUJDLKI-CQSZACIVSA-N 339.399 1.998 0 40 EDAB CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)C1CCC(F)(F)CC1 190961142 VYRCXERAFAKSSO-UHFFFAOYSA-N 346.374 1.594 0 40 EDAB COc1cccc(CNC(=O)c2cc(NC(=O)C(C)C)n(C)n2)c1 46089020 DNEWJLFJURWTRI-UHFFFAOYSA-N 330.388 1.953 0 40 EDAB Cc1n[nH]c(C)c1C(=O)N1CC[C@@H](Oc2ccc(N(C)C)nn2)C1 225448625 FXEYYTLMDCISPM-GFCCVEGCSA-N 330.392 1.176 0 40 EDAB O=C(c1ccc(F)cc1)N1CC(c2nc(-c3ncccn3)no2)C1 49482897 DAPILKZLHQVKPS-UHFFFAOYSA-N 325.303 1.905 0 40 EDAB C[C@H]1CCC[C@@H]1NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 131975661 AUJUEXTVULPONG-JQWIXIFHSA-N 343.415 1.626 0 40 EDAB Cn1cc(NC(=O)C(=O)N2CC=C(c3ccccc3F)CC2)cn1 135014711 YNUMXFKJYWOBCR-UHFFFAOYSA-N 328.347 1.814 0 40 EDAB CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccn(C)c(=O)c1 425112540 PJZRCQKBIXTCHJ-MRXNPFEDSA-N 339.395 1.089 0 40 EDAB CC1(C)CN(CCNS(=O)(=O)c2cc3ccccc3o2)CCO1 195571869 YIUVVCKMXDTEQD-UHFFFAOYSA-N 338.429 1.822 0 40 EDAB O[C@@H](CN1CCc2ccccc2C1)Cn1nnc(-c2ccsc2)n1 193407770 ODNMPVGBRXUWHR-INIZCTEOSA-N 341.440 1.821 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CC(Oc2cccnc2)C1 238952455 XFNSOWJUWPHWOZ-UHFFFAOYSA-N 327.340 1.783 0 40 EDAB CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 96076372 GIDLNRIBWKITNO-SFHVURJKSA-N 335.448 1.396 0 40 EDAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(c1ncc(F)cn1)CC2 96261216 INKLBBGSZOQUHE-AWEZNQCLSA-N 344.394 1.334 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@@H]2c2ncnn2C)c2c1CCC2 333746032 WTWXSBBYUUDBFI-MRXNPFEDSA-N 326.400 1.826 0 40 EDAB CCC(=O)N1CCOC[C@@]2(CC[C@H](CN(C)Cc3cccnc3)O2)C1 96160651 VYPVWYRKNIOFRU-IEBWSBKVSA-N 347.459 1.700 0 40 EDAB O=S1(=O)C[C@@H](N2CCCC2)[C@@H](NCCOc2ccccc2F)C1 96407670 DNINRZBROCGAMH-LSDHHAIUSA-N 342.436 1.056 0 40 EDAB C[C@@H](NCC1(c2ccc(Br)cc2)CCOCC1)C(N)=O 96501959 PPUGLRKGVVRKFL-LLVKDONJSA-N 341.249 1.961 0 40 EDAB O=C(Cc1cccs1)N1C[C@@H]2OCCN(c3cnccn3)[C@@H]2C1 96248666 NXECCFHJGAZGQC-KGLIPLIRSA-N 330.413 1.197 0 40 EDAB NC(=O)Cn1nc(-c2ccc(NC(=O)c3ccccc3)cc2)ccc1=O 98087164 KVGBVARSGLHGSN-UHFFFAOYSA-N 348.362 1.648 0 40 EDAB Cn1cc(CN2CCO[C@@H]3CN(Cc4cccc(F)c4)C[C@@H]3C2)cn1 96108110 CCUNSQMFRUMPAE-PKOBYXMFSA-N 344.434 1.892 0 40 EDAB CCCn1c([S@](=O)[C@H](C)c2nc(-c3ccccc3)no2)n[nH]c1=O 96446929 SAJVRMADWCFXGO-ZZDSUILFSA-N 347.400 1.900 0 40 EDAB C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1nc(O)nc(O)c1N 331623258 YBIDPGVJRHRUMR-MWLCHTKSSA-N 330.344 1.072 0 40 EDAB C[C@@H](NCCC(=O)N1CCN(C)CC1)[C@H]1CCCN(C2CCC2)C1 330032853 SINMNEQHHJZXAA-SJORKVTESA-N 336.524 1.393 0 40 EDAB C[S@@](=O)CCCNS(=O)(=O)Cc1ccc(F)c(Cl)c1 95439704 MQDGJAWJUIANLJ-SFHVURJKSA-N 327.830 1.667 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1cc(-c3cccnc3)on1)CC2 97198674 MHAWDIJBUMVUAG-LBPRGKRZSA-N 338.371 1.635 0 40 EDAB CC1(C)CN(C(=O)N[C@H](CCN)C(F)(F)F)C[C@]2(CCOC2)O1 331487087 AKRDTGISOXXMHZ-MFKMUULPSA-N 339.358 1.246 0 40 EDAB C[C@H](c1ccsc1)N1CCN(C(=O)NCCCn2ccnn2)CC1 97378526 JBEFZHZWYNDMQH-CQSZACIVSA-N 348.476 1.818 0 40 EDAB O=C(N1CCCC1)N1CCC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048424 OXYJGIMTJFHRCX-PBHICJAKSA-N 331.420 1.728 0 40 EDAB CCn1nc(C)c(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1C 96484145 TZHKODHBGXXQJN-CQSZACIVSA-N 333.436 1.059 0 40 EDAB O=C1Nc2ccccc2CC[C@H]1N1CCC[C@@H](CN2CCOCC2)C1 248818728 FGIWAMRKCPFTNX-QFBILLFUSA-N 343.471 1.984 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@@H]2c2nc(C)cn2C)c1C 257232664 GLWILMBVTIWVAU-CYBMUJFWSA-N 337.449 1.779 0 40 EDAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@H](Cc1cncnc1)CO2 257207481 BHYOZMYYDDESKO-AWEZNQCLSA-N 341.415 1.464 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)Cn3ccnc3C)CCN2C)cc1 257271794 MZVGGFTWZREGMZ-KRWDZBQOSA-N 328.416 1.715 0 40 EDAB O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 252587618 ZMJKSAPOJZCEPC-LLPAXQPUSA-N 332.425 1.859 0 40 EDAB Cn1ncc(C(=O)O)c1C(=O)N1CCO[C@@](C)(c2ccccc2)C1 585134917 PEJHFGOUEPNUCW-QGZVFWFLSA-N 329.356 1.506 0 40 EDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)CC1CCC(F)(F)CC1 585123750 CIHIVORLCDLHNM-HNNXBMFYSA-N 332.391 1.956 0 40 EDAB C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1nnc2ccc(Cl)cn12 585127435 AFUTVEMWRKFPGK-PWSUYJOCSA-N 338.795 1.583 0 40 EDAB O=C(c1cc(F)c(F)c(F)c1F)N1CCN(c2nc[nH]n2)CC1 585126875 KGLBYBONVBZTPM-UHFFFAOYSA-N 329.257 1.324 0 40 EDAB CC(=O)N1CCC(c2nccnc2CNC(=O)c2cccnc2)CC1 257315331 VAVWOLZTMJJGNQ-UHFFFAOYSA-N 339.399 1.528 0 40 EDAB CCc1nnsc1C(=O)N1CCOC[C@@H]1CCc1nccnc1C 257335162 YIXVOXLBKDXEMK-LBPRGKRZSA-N 347.444 1.673 0 40 EDAB O=C(N[C@@H]1C[C@H]2Oc3ccccc3N[C@H]2[C@@H]1O)c1cccc(F)c1 257323566 WKXQINFVWKZOMP-MWQQHZPXSA-N 328.343 1.930 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC(c3cnccn3)CC2)c1C 257337069 YRGANLMDOCDETP-UHFFFAOYSA-N 335.433 1.570 0 40 EDAB O=S(=O)(c1cccnc1)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1 257267644 MIFSBBSFTGIRIT-COXVUDFISA-N 345.424 1.955 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)Cc1ccsc1 257241701 HZEVSFFOZODCGG-MRXNPFEDSA-N 330.413 1.345 0 40 EDAB COc1cccc([C@H]2[C@H](C(=O)NCCC(=O)O)CC(=O)N2C2CC2)c1 263567908 GSOPFOFDNMOFST-PBHICJAKSA-N 346.383 1.338 0 40 EDAB O=C(Cn1cccn1)NC[C@H](Cc1cccc(F)c1)N1CCCC1=O 85467451 CJQJNSAZXPILJU-INIZCTEOSA-N 344.390 1.372 0 40 EDAB CCc1nc(C)c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)s1 50611492 NDTRNRMGDYIBNG-SNVBAGLBSA-N 331.463 1.168 0 40 EDAB CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)c1csnn1 284930455 CDEITHJHLHMJRA-GJZGRUSLSA-N 332.429 1.682 0 40 EDAB CN1C(=O)CCc2cc(C(=O)N3CC[C@H]4CC[C@H](O)[C@H]3C4)ccc21 1615613475 AMQZNJQSXNGHIF-JLZZUVOBSA-N 328.412 1.971 0 40 EDAB O[C@@]1(COc2ccc(F)cc2)COCCN(Cc2cnccn2)C1 585268865 BUNWNWGCDLSPRG-QGZVFWFLSA-N 333.363 1.258 0 40 EDAB O=C(c1cccnn1)N1CCO[C@](CO)(Cc2ccccc2F)C1 585277451 WUVONEMBUXVQTN-QGZVFWFLSA-N 331.347 1.062 0 40 EDAB Cn1nc(C(=O)N[C@H]2CCN3CCCC[C@H]23)c2ccccc2c1=O 44941908 LSFKSHRNPVZLHK-LSDHHAIUSA-N 326.400 1.290 0 40 EDAB NC(=O)[C@H]1CN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CCO1 50845615 OKPGXNFRONKRBY-IAGOWNOFSA-N 340.379 1.519 0 40 EDAB CN(C)C(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 69413954 HEDMALFRMGDATO-HZPDHXFCSA-N 349.862 1.676 0 40 EDAB Cc1cc(C)c(CNC(=O)N2CCN(c3ccncc3)CC2)c(=O)[nH]1 72305736 GVBBUTDVOIJKNR-UHFFFAOYSA-N 341.415 1.419 0 40 EDAB C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2cnn(CC(N)=O)c2)C1 72305930 FDIWHAZJNGHESG-MEDUHNTESA-N 337.424 1.067 0 40 EDAB Cn1cnc(S(=O)(=O)Nc2ccccc2-c2nc(C3CC3)n[nH]2)c1 69533844 VPXXFRKNQVBTJG-UHFFFAOYSA-N 344.400 1.883 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)Nc3ccncc3)C2)n1 69701367 SKSBNEJEJDQAIG-HNNXBMFYSA-N 328.420 1.641 0 40 EDAB COc1ccc(F)cc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 65414295 FYUBHDLSVSPULT-NSHDSACASA-N 344.408 1.236 0 40 EDAB CN(C[C@H]1CN(C[C@H](O)c2ccc(F)cc2)CCO1)c1cccnn1 83859240 UTJBHGODMQESJI-IRXDYDNUSA-N 346.406 1.486 0 40 EDAB Cn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccncc1 16363609 BDVMVCYVJBNWKI-GFCCVEGCSA-N 333.417 1.264 0 40 EDAB CSc1ncc(CN2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cn1 19291467 JYKCBCKCFRKIDE-VMZNBEPHSA-N 345.472 1.947 0 40 EDAB O=C(NCCn1nc([C@@H]2CCNC2)c2nccnc21)C1CCCC1 19404434 VRHFNUACZKXJHG-CYBMUJFWSA-N 328.420 1.210 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)no1 78772729 ISMFBMBPDRFOMY-NSHDSACASA-N 338.408 1.863 0 40 EDAB CN1C[C@H](C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)CC1=O 220767883 RUDIVLQQTDDJHL-DGCLKSJQSA-N 332.404 1.206 0 40 EDAB Cn1nc(C2CC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1 225570820 DBIPKBNUTFHCFH-UHFFFAOYSA-N 346.456 1.808 0 40 EDAB CCN1C(=O)NC2(CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O 9660766 WATIRQIFKVULLS-UHFFFAOYSA-N 348.378 1.171 0 40 EDAB Nc1nccnc1C(=O)N1CCCN(C(=O)c2ccccc2)CC1 31252060 KEFBCQPLQDYZBZ-UHFFFAOYSA-N 325.372 1.047 0 40 EDAB COCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)nn1 585149661 HHVCCAJKKSWJNU-WBVHZDCISA-N 342.399 1.592 0 40 EDAB C[C@@H](Sc1nnc(N)s1)C(=O)NCc1ccc2c(c1)OCO2 3513202 JEDGZUVDVNLPMZ-SSDOTTSWSA-N 338.414 1.646 0 40 EDAB Cc1nsc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1 1889078035 UGYVYBQBDCCOPJ-UHFFFAOYSA-N 330.339 1.982 0 40 EDAB NC(=O)c1cc(OC2CN(Cc3ccc4c(c3)CCO4)C2)ccn1 1889119612 FKBRCMONBGPTCY-UHFFFAOYSA-N 325.368 1.379 0 40 EDAB Cc1nnc2c(N3CC[C@H](COc4ccc(F)cn4)C3)nccn12 1889139294 UHXQFEKONBMLHZ-LBPRGKRZSA-N 328.351 1.872 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2ccccc2Br)C1 41622007 IWTWVECJCDSHRT-GFCCVEGCSA-N 347.278 1.963 0 40 EDAB Cn1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1=O 32275884 JYWJHCKFCIETML-QGZVFWFLSA-N 341.411 1.016 0 40 EDAB Cn1cccc(C(=O)N2CC[C@H](c3noc(-c4ccco4)n3)C2)c1=O 244970151 HLUSPKSBCPSXHI-NSHDSACASA-N 340.339 1.658 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)c1 2037905596 NHUAHDVHCYPABD-SFHVURJKSA-N 347.390 1.995 0 40 EDAB Cc1ccc(CNC(=O)CSc2nc(=O)n3ccccc3n2)cc1 4499766 KNVSLAPQHDYJSO-UHFFFAOYSA-N 340.408 1.806 0 40 EDAB O=C(NCc1ccncc1)c1nccnc1C(=O)NCc1ccncc1 4623091 KANYOAGBYUVUIV-UHFFFAOYSA-N 348.366 1.127 0 40 EDAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCOC3)cc1 4776555 DXGGEEAJQWVXQO-UHFFFAOYSA-N 341.367 1.245 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCN(c2cccnc2)C(=O)C1 585150090 BEZHRDZZMLETGG-UHFFFAOYSA-N 347.396 1.128 0 40 EDAB O=C(N1CCOCC1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238919455 SVNDXVFAOMYOFR-HUUCEWRRSA-N 328.372 1.705 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1F 40105660 FHJVNGRUVWHGML-AWEZNQCLSA-N 330.425 1.915 0 40 EDAB O=c1cc(CNc2ccccc2-n2cnnn2)nc2sccn12 40135371 XZRIJQNBYDNJQA-UHFFFAOYSA-N 325.357 1.344 0 40 EDAB Cn1cccc1C(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 30575371 JKKUAXJIWWQPHA-UHFFFAOYSA-N 347.440 1.214 0 40 EDAB Cc1cc(=O)n2nc(N3CCN(c4ccccc4)CC3)sc2n1 40487919 XJPJLMMGLVQQME-UHFFFAOYSA-N 327.413 1.786 0 40 EDAB CC(C)n1nccc1NC(=O)CN1CCN(c2ccccn2)CC1 40473297 YYCGBQGCXUAZPW-UHFFFAOYSA-N 328.420 1.620 0 40 EDAB CC[C@](C)(CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1 40523118 BKRWAKHBCTWZSZ-CQSZACIVSA-N 348.369 1.519 0 40 EDAB NS(=O)(=O)CCNc1nc(-c2cccnc2)nc2ccccc12 40539816 JZWBTFMQHMIBNS-UHFFFAOYSA-N 329.385 1.392 0 40 EDAB CC(C)c1noc(CCC(=O)N[C@H]2CCCN(c3ncccn3)C2)n1 40553776 YUMUMDAZSPVGLK-ZDUSSCGKSA-N 344.419 1.701 0 40 EDAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(CCCO)CC1 51533533 BHKISLHZPRRGAK-OAHLLOKOSA-N 326.824 1.554 0 40 EDAB C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)N2)C[C@@H](C)O1 15953349 LGJUCTFKIRPRHL-GCETXLBUSA-N 329.356 1.351 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N(C[C@H]1CCOC1)C1CC1 32469389 LMJYANICTDHGDR-SNVBAGLBSA-N 345.442 1.724 0 40 EDAB O=C(NC1CCN(Cn2ncc(Cl)c(Cl)c2=O)CC1)C1CC1 29586768 AKYPZXMDKNTUOD-UHFFFAOYSA-N 345.230 1.498 0 40 EDAB C[C@H](c1cccnc1)N(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 68170623 FRICMMXWWLFYCV-GFCCVEGCSA-N 346.412 1.099 0 40 EDAB CCNC(=O)NC(=O)COC(=O)COc1ccc(C(C)(C)C)cc1 2634920 RGXPHQBGOMSBBU-UHFFFAOYSA-N 336.388 1.752 0 40 EDAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCCC1 2634776 AVDNHGQSJIWSHA-UHFFFAOYSA-N 334.397 1.994 0 40 EDAB COc1ccc(NC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)cc1 75584515 NYJYRYPZPJGGPW-UHFFFAOYSA-N 345.399 1.247 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)CC2(C(=O)O)CCCC2)c1 32771973 QQRXWANCQXNTSH-UHFFFAOYSA-N 329.360 1.851 0 40 EDAB Cc1ccc(OCC(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 102218917 KHYJKLJMORFTRO-APYUEPQZSA-N 326.352 1.212 0 40 EDAB CC1CCC2(CC1)NC(=O)N(C[C@@H](O)COCc1ccco1)C2=O 21559244 UJLQQCHASUPVJQ-UIORMTCPSA-N 336.388 1.658 0 40 EDAB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(C)s1 6679826 YEFXSVSQPYJPED-JTQLQIEISA-N 346.474 1.606 0 40 EDAB CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 6734648 HBXPSPMHXNTNCW-JTQLQIEISA-N 346.836 1.495 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCC[C@@H]1CN(C)C 102490810 CZOUOSKBKGCARH-AEFFLSMTSA-N 329.444 1.907 0 40 EDAB C[C@H](OC(=O)c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccccc1 7581312 JJTYJRCIDABPMW-LBPRGKRZSA-N 342.351 1.735 0 40 EDAB C[C@H](c1ccc(Cl)cc1)N1CCN(CCCS(N)(=O)=O)CC1 75863395 KBVMCHZMARLQMH-CYBMUJFWSA-N 345.896 1.697 0 40 EDAB c1ccc(CN2CC[C@H]3CO[C@H](CNc4ncccn4)[C@H]3C2)nc1 107202815 PLCONTMATZSZJC-BHYGNILZSA-N 325.416 1.821 0 40 EDAB COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1 8298016 HNKTZCQBYMTUSW-KFWWJZLASA-N 349.479 1.049 0 40 EDAB biogenic,in-vitro COc1ccc(NC(=O)c2nccnc2N)cc1N1CCCC1=O 32914669 PMBQWCBKTHPQEE-UHFFFAOYSA-N 327.344 1.447 0 40 EDAB CC(C)(CNC(=O)Cc1ccc2c(c1)OCCO2)N1CCOCC1 33026765 DCEMYGVQZKFPIS-UHFFFAOYSA-N 334.416 1.227 0 40 EDAB COC(=O)c1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 107750644 INEMEMNCWLIEPZ-IPJQOSJUSA-N 331.324 1.456 0 40 EDAB O=C1C[C@@H](c2ccccc2)N(Cc2nnnn2-c2ccccc2)CCN1 52834821 WSBMOSQYZPAHSX-KRWDZBQOSA-N 348.410 1.726 0 40 EDAB O=c1n(CCCn2c(=O)[nH]c3ccccc32)nnn1-c1ccccc1 9479045 PAUQZHJJIPQZTM-UHFFFAOYSA-N 336.355 1.162 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(N2CCNC2=O)c1 53417850 SSXKQXBDGMDRFS-LLVKDONJSA-N 342.355 1.566 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3ccnc(N(C)C)c3)CCO2)n1 76045835 FZHURHXKCCNLAT-CYBMUJFWSA-N 344.419 1.432 0 40 EDAB O=c1c2ccccc2nnn1CN(C[C@@H]1CCCO1)C[C@H]1CCCO1 54520388 ANEONONCKCTILB-GASCZTMLSA-N 344.415 1.409 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n(C)c1 105627990 SDRVOYYMEBWSKP-UHXUPSOCSA-N 339.461 1.488 0 40 EDAB CC(C)NC[C@]1(COc2ccc(C(F)(F)F)cn2)C[C@H](O)[C@H](O)C1 107430417 SGQOOZQEEDOGEN-AGGWBTHJSA-N 348.365 1.979 0 40 EDAB biogenic,in-vitro CCNC(=O)CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 24831422 CFBARSVRADUHTC-UHFFFAOYSA-N 335.404 1.828 0 40 EDAB Cc1c([C@H](C)NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)cnn1C 25005163 HRLBNHJHONDQEC-VIFPVBQESA-N 340.405 1.063 0 40 EDAB CCCCN1C(=O)[C@](NC(C)=O)(C(F)(F)F)C(C(=O)OC)=C1C 12419937 FJDTWYYPPYPQQN-ZDUSSCGKSA-N 336.310 1.513 0 40 EDAB CS(=O)(=O)Nc1nc(CC(=O)Nc2ccc(F)cc2)cs1 25045305 JJUKXKKBSXAWGK-UHFFFAOYSA-N 329.378 1.835 0 40 EDAB CCc1c(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[nH]c(C)c1C(C)=O 78702749 CDKTYBOELRFASZ-GOSISDBHSA-N 345.399 1.991 0 40 EDAB CCNC(=O)c1cccc(NC(=O)N2CCC[C@H](C(=O)NCC)C2)c1 61747909 JAHVIQCEVGHAJW-AWEZNQCLSA-N 346.431 1.816 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc2ccccc12 3147726 YPHSVMVSCKZXSF-UHFFFAOYSA-N 331.353 1.326 0 40 EDAB C[C@]12CC[C@@H](C[C@@H]1C(=O)NCCO)[C@]1(C2)NC(=O)c2ccccc2N1 100117149 HWWAOQAOTRGOBO-BXOLDHOESA-N 343.427 1.473 0 40 EDAB CN(CCNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1)Cc1ccccc1 107146547 JFXQVEKVFXNGJB-BRSBDYLESA-N 329.444 1.937 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(c2nnnn2-c2ccccc2)C1 52359909 WPWHYDXHWMWNMY-CQSZACIVSA-N 326.404 1.405 0 40 EDAB CC(=O)N1CCN(C(=O)CCc2c(C)nc3cc(C)nn3c2C)CC1 27476485 IARPYHVWCYEFSF-UHFFFAOYSA-N 343.431 1.278 0 40 EDAB O=C(Cn1cccn1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 44895494 BIAMXMRARVWYSZ-MRXNPFEDSA-N 332.379 1.212 0 40 EDAB C[C@@H]1CN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)C[C@@H](C)O1 44872026 ONEGTIPQEDMSQL-VMFRVMOISA-N 326.400 1.975 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 44890122 RZADHAFAXYICSN-ZDUSSCGKSA-N 330.363 1.571 0 40 EDAB COc1cc(CCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc(OC)c1 10268523 FZZGIOBUHFCTIK-GOSISDBHSA-N 342.395 1.979 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)cc1C 58278605 MIJMLPGMHGQBRF-UHFFFAOYSA-N 328.434 1.540 0 40 EDAB O=C(CN1CCN(C(=O)C2CCCCC2)CC1)NCc1ccco1 58246513 KASKIPNDDPCCNB-UHFFFAOYSA-N 333.432 1.620 0 40 EDAB C[C@]1(NC(=O)c2ccc3c(c2)OCCCO3)CCS(=O)(=O)C1 22550114 ZEFSMFRKNOVKAC-HNNXBMFYSA-N 325.386 1.155 0 40 EDAB CC(=O)N1CCC(NC(=O)c2ccc(-n3nc(C)cc3C)nc2)CC1 44918341 QWSBMBPETOYKJT-UHFFFAOYSA-N 341.415 1.625 0 40 EDAB Cc1cc(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)on1 58425493 IUCSBTHISWDFRT-CQSZACIVSA-N 334.397 1.813 0 40 EDAB Cc1c(C)n(C[C@@H](O)CN2CCN(CCO)CC2)c2ccc(F)cc12 28297175 PUASDONFHRADII-KRWDZBQOSA-N 349.450 1.368 0 40 EDAB CCn1c(C)cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1C 12607229 QFWUBPWBJIIVHW-UHFFFAOYSA-N 349.456 1.745 0 40 EDAB COc1ccccc1-n1nnnc1S[C@H](C)C(=O)N1CCOCC1 10885437 YIHNRCYDUQPBNE-LLVKDONJSA-N 349.416 1.010 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 3313661 AEZULKNIKFKUOR-QGZVFWFLSA-N 346.387 1.078 0 40 EDAB CC1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 3304105 IFTUDCAZUJOIOB-IBGZPJMESA-N 341.411 1.638 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)N[C@@H]1c2ccccc2C[C@@H]1O 48273750 WJCQOROTKMJZHJ-MAUKXSAKSA-N 340.379 1.915 0 40 EDAB COCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@@H](C)C4 2432471 JONJFWWGBUOSQU-SECBINFHSA-N 345.428 1.840 0 40 EDAB Nc1nc(SCC(=O)NCC2(c3ccccc3)CCOCC2)n[nH]1 48363970 XZUDRFMOEUDPLP-UHFFFAOYSA-N 347.444 1.344 0 40 EDAB CC(=O)N(c1nc(CN2CCNC(=O)C2)cs1)c1ccccc1F 12810647 MRCHDLOWSFXDRY-UHFFFAOYSA-N 348.403 1.899 0 40 EDAB NC(=O)[C@@H]1CCCN1C(=O)CN[C@H](c1ccccc1)C(F)(F)F 81344547 RISCMLUSUDRFDV-WCQYABFASA-N 329.322 1.356 0 40 EDAB Cn1nnnc1SCc1cc(=O)n2c(n1)sc1ccccc12 3433477 UZZCYHUQTOTFKF-UHFFFAOYSA-N 330.398 1.725 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)N2CCOc3ccccc32)CC1 69892718 BACGIRJJZJNTJY-GJZGRUSLSA-N 343.427 1.212 0 40 EDAB COc1cc2[nH]c(O)c(C(=O)Nc3ccncc3)c(=O)c2cc1OC 8994452 JCKOGWHIXYMXAV-UHFFFAOYSA-N 341.323 1.898 0 40 EDAB CN1CCN(C(=O)NCCNC(=O)c2ccco2)Cc2ccccc21 69265810 XWVSRHCQZRINFR-UHFFFAOYSA-N 342.399 1.671 0 40 EDAB Cc1cc(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)no1 64311175 ZFLUYXALIRDZPG-UHFFFAOYSA-N 328.777 1.840 0 40 EDAB CCOc1ccccc1NC(=O)N1CCN(C[C@@H]2COCCO2)CC1 70018820 HPLRFQFHJWOBPV-OAHLLOKOSA-N 349.431 1.650 0 40 EDAB O=C(CSc1nnnn1-c1cccc2ccccc12)NCCO 5016371 QQORCAPUGHDANW-UHFFFAOYSA-N 329.385 1.016 0 40 EDAB C[C@H](CC(=O)N1CCC2(CC1)NC(=O)NC2=O)c1ccccc1F 69321559 REXDJUVEZWASFB-LLVKDONJSA-N 333.363 1.520 0 40 EDAB Cc1ccc(C(=O)NCc2c(C)nn(C)c2N2CCCN(C)CC2)o1 69349351 ZWWJARKUZMBAAK-UHFFFAOYSA-N 345.447 1.702 0 40 EDAB Cn1nccc1CNC(=O)CN1C(=O)COc2ccc(Cl)cc21 23193655 MKVHFHVPJHXDTD-UHFFFAOYSA-N 334.763 1.115 0 40 EDAB C[C@H](NC(=O)CN[C@H](C)Cn1cccn1)c1ccc2c(c1)OCCO2 69413699 QVTDNRFDSBTBFL-KGLIPLIRSA-N 344.415 1.510 0 40 EDAB COCCNC(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C 69460681 HVTWPFHTVOFXOW-CYBMUJFWSA-N 335.404 1.340 0 40 EDAB Cc1cc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)nn1C 65408988 BJZUXYUZKZNKTD-UHFFFAOYSA-N 345.422 1.420 0 40 EDAB COC(=O)C(C)(C)N(C)C(=O)CCN1C(=O)COc2ccccc21 65517340 UCRHJTOAOWAIJB-UHFFFAOYSA-N 334.372 1.212 0 40 EDAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cnccn2)n1 5398511 LKVXCXXPNUUBRU-UHFFFAOYSA-N 337.343 1.653 0 40 EDAB CSCC[C@@H](NC(=O)c1ccccc1Br)C(N)=O 14112841 PRTOKXWYZGUBLR-SNVBAGLBSA-N 331.235 1.786 0 40 EDAB C[C@@H](C(=O)NCc1ccc(N2CCOCC2)nc1)N1[C@H](C)CC[C@H]1C 65604433 CMMGOCJDAYECQM-OAGGEKHMSA-N 346.475 1.796 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCCc2c(C)noc2C)o1 65626023 QTBXIZAFBOCDQR-UHFFFAOYSA-N 328.346 1.192 0 40 EDAB COc1ccc(-c2nnc(CN3C(=O)[C@@H]4CCCN4C3=O)o2)cc1 14372134 SCGCEMCDJFRASS-LBPRGKRZSA-N 328.328 1.672 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(OCC(F)(F)F)nc1 14307201 FXILIXOLEGKWTH-VIFPVBQESA-N 333.310 1.667 0 40 EDAB C[C@@H](O)CN1CCC(CN(C)Cc2cccc(C(=O)N(C)C)c2)CC1 69973954 OYZPVZHFVRAORR-MRXNPFEDSA-N 347.503 1.913 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(-c2noc(=O)[nH]2)cc1 69586089 HTXYANJDOJHZHU-UHFFFAOYSA-N 348.359 1.883 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccsc2)C1=O)c1ccco1 69568937 LXNUKXMSYSQYOC-QFYYESIMSA-N 347.396 1.986 0 40 EDAB Cc1ccccc1C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 69590936 HLJSJHJFHXZDKC-INIZCTEOSA-N 345.443 1.000 0 40 EDAB CN(C1CCN(C2CCOCC2)CC1)S(=O)(=O)c1ccccc1 66103577 SNCQJQBKTWYXBJ-UHFFFAOYSA-N 338.473 1.951 0 40 EDAB COCCN1CCN(CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1C 69972856 RFDWQMRZKSWCHL-CQSZACIVSA-N 330.432 1.118 0 40 EDAB COC(=O)CNc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 5693804 AJFYCMWVTQJFDS-UHFFFAOYSA-N 342.417 1.455 0 40 EDAB 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347.463 1.959 0 40 EDAB CC(C)CC(=O)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 306126949 FJSRTPMKNMUAND-AWEZNQCLSA-N 329.462 1.475 0 40 EDAB Cc1nc(NC(=O)C[C@@H]2NC(=O)NC2=O)sc1-c1ccccc1 97915081 LMFVPSHFRJCFHK-JTQLQIEISA-N 330.369 1.655 0 40 EDAB Cc1cc(S(=O)(=O)NCCN2CCOC[C@@H]2C)c(F)cc1F 95946047 KRBCXZTZRKYHFA-NSHDSACASA-N 334.388 1.272 0 40 EDAB O=C(CCC(=O)c1ccc(Cl)s1)N[C@H]1CCS(=O)(=O)C1 74627318 IWMABUKCGINKSS-QMMMGPOBSA-N 335.834 1.668 0 40 EDAB CN(C)C(=O)CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 74854802 AJRIZQCBVPGDQT-QGZVFWFLSA-N 346.475 1.771 0 40 EDAB COCC[C@]1(C(=O)N2CCOCC2)CCN(C(=O)OC(C)(C)C)C1 75106026 AXVMFUGNUDJOGW-QGZVFWFLSA-N 342.436 1.509 0 40 EDAB COC(=O)[C@@H](CNS(=O)(=O)c1ccccc1OC)CC(C)C 75147546 MAVFNUKLGAIPJQ-GFCCVEGCSA-N 329.418 1.809 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3cn4ccsc4n3)CCO2)n1 75132188 JQYGNDXIQIQHFW-CQSZACIVSA-N 332.433 1.505 0 40 EDAB O=C(CCNC(=O)c1ccsc1)N[C@@H](Cc1ccccc1)C(=O)O 89830045 VMSGNCHYQIEQDN-AWEZNQCLSA-N 346.408 1.680 0 40 EDAB CC(C)n1ncc2cc(/C=C/C(=O)Nc3cnn(C)c3)c(=O)[nH]c21 89893885 DSBLXOILLVDMMN-SNAWJCMRSA-N 326.360 1.691 0 40 EDAB Cn1c(C2CC2)nc2cc(NC(=O)C(=O)NCc3ccon3)ccc21 89951735 WUKSWUYIXWSVFQ-UHFFFAOYSA-N 339.355 1.694 0 40 EDAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cc(C)nc3[nH]nc(C)c23)C1 1553724806 ZIAVMYRTIOVHMV-DGCLKSJQSA-N 340.387 1.900 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2C(F)(F)F)C1 31789640 RKNTWBBWDKISRW-JTQLQIEISA-N 330.306 1.808 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(C)cc2)s1 36182592 XZXNNPHPURSYGZ-UHFFFAOYSA-N 326.403 1.283 0 40 EDAB Cc1noc(C)c1C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 32901164 UTRRAEOIECTAKE-UHFFFAOYSA-N 343.383 1.694 0 40 EDAB COCC(=O)N1CC[C@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 72352519 FFFXBFWUIPKCBC-NSHDSACASA-N 347.440 1.960 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C 33651734 RALLKKNKLMMCNT-LBPRGKRZSA-N 343.401 1.004 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3cc(N(C)C)ccn3)CC2)no1 126692343 HINBQSRWDDPJTO-UHFFFAOYSA-N 344.419 1.051 0 40 EDAB O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCN(Cc2cccnc2)C1 564477613 NHYDGEYBRZRFJX-JKSUJKDBSA-N 339.443 1.690 0 40 EDAB CN1CCN(C)[C@@H](CNC(=O)N2CCC[C@@](C)(c3ccccc3)C2)C1 79098682 IIWJNSCMUCUJCL-AZUAARDMSA-N 344.503 1.996 0 40 EDAB Cn1cc(N2CC[C@H](N3CCO[C@H](Cc4ccccc4)C3)C2=O)cn1 181524613 RDBZLZGZGODBMX-MSOLQXFVSA-N 340.427 1.469 0 40 EDAB CNC(=O)[C@]1(CCCc2cnccn2)CCCN(Cc2ncc[nH]2)C1 72367230 AZMAVODXOCVWKO-GOSISDBHSA-N 342.447 1.551 0 40 EDAB Cc1nn(C)c2cnn(Cc3ccc(C(=O)N4CCSCC4)o3)c12 41123748 MWYFZVAVBAMOAQ-UHFFFAOYSA-N 345.428 1.909 0 40 EDAB O=C(NCc1csc2ncnn12)c1cc(N2CCCCC2)ncn1 225538841 QRBLUABCFOELEK-UHFFFAOYSA-N 343.416 1.501 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)[C@]1(C)Oc2ccccc2NC1=O 40776573 QMLWBLKCRIQQRE-KRWDZBQOSA-N 328.372 1.443 0 40 EDAB O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CCO1 574963902 OXLITAPBRVHULC-LURJTMIESA-N 345.320 1.241 0 40 EDAB Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1cc(C)c(Cl)s1)CC2 191925979 LVNSZIPQDPMZNZ-SECBINFHSA-N 346.865 1.903 0 40 EDAB Cc1noc([C@H]2CN(C(=O)c3ccoc3C)Cc3ccnn3C2)n1 96188857 JJHVNVMFBRMXRP-LBPRGKRZSA-N 327.344 1.916 0 40 EDAB Fc1cnc(N2CCn3cc(CNc4ccccn4)nc3C2)nc1 96197508 VYSNLWRRPYFRRU-UHFFFAOYSA-N 325.351 1.840 0 40 EDAB O=C(c1cccnc1)N1CCC[C@]2(CCN(S(=O)(=O)C3CC3)C2)C1 96047067 XULZLJPZOVEWBJ-KRWDZBQOSA-N 349.456 1.502 0 40 EDAB Cn1cc(CN2C[C@H]3CCN(C(=O)c4cscn4)C[C@H]3C2)cn1 96054141 GCMANSMAUDPEDE-ZIAGYGMSSA-N 331.445 1.471 0 40 EDAB O=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)c3cnccn3)CC2)N1 96199941 FLCFZQCWQJKNES-AWEZNQCLSA-N 337.383 1.150 0 40 EDAB Cc1ccc([C@H]2[C@@H](C(=O)NCc3cnn(C)c3C)CC(=O)N2C)cc1 96181232 AZXNKUZQTWKSGR-WMZOPIPTSA-N 340.427 1.873 0 40 EDAB C[C@@H]1c2ncc(COCc3ccccn3)n2CCN1C(=O)CN(C)C 96206354 RIJNLPRSHPKYOO-CQSZACIVSA-N 343.431 1.460 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)c2ccc(OCCOC)c(C)c2)C[C@H]1O 536328141 IMXVUPGVRCXNDI-UKRRQHHQSA-N 343.445 1.412 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@H]21 96082539 DAELHQZGKSIMBQ-USXIJHARSA-N 342.399 1.641 0 40 EDAB 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Cc1c(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccs2)cnn1C 96181101 RKVSSYLSGCTDTB-IUODEOHRSA-N 332.429 1.626 0 40 EDAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]23)n1 96206621 WBNXYXSHMIITKY-BMFZPTHFSA-N 344.390 1.972 0 40 EDAB CCCS(=O)(=O)N1C[C@@H]2OCCN(Cc3csc(C)n3)[C@@H]2C1 96248783 SLIWBLAERSIKBG-KGLIPLIRSA-N 345.490 1.076 0 40 EDAB CC(=O)N1CCC(CC(=O)N2CCN(Cc3cnoc3C)CC2)CC1 98211264 CZGYTPUGQLYMOR-UHFFFAOYSA-N 348.447 1.276 0 40 EDAB CCS(=O)(=O)N1CCC2(CC[C@@H]2NC(=O)c2ccn(C)c2)CC1 96051734 HRKBKNYVUTZVSV-AWEZNQCLSA-N 339.461 1.349 0 40 EDAB Cc1ccc(C(=O)N2CC3(CCN(C(=O)c4cccnc4)C3)C2)o1 96046470 DFPIRPRSXFDQTC-UHFFFAOYSA-N 325.368 1.971 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2ccnnc2)cc1 583616117 LRPOGVXDUDYWGN-AEFFLSMTSA-N 327.384 1.998 0 40 EDAB O=C(O)CCC(=O)N1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)CC1 257283041 OWNZTJZNLNJRFO-IRXDYDNUSA-N 346.427 1.261 0 40 EDAB CNC(=O)c1cccc([C@@H]2CNCCN2C(=O)c2c(C)noc2C)c1 257297711 RIOFXIYOSOLMFL-HNNXBMFYSA-N 342.399 1.438 0 40 EDAB 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PHOMRFFYYAZMSD-HNNXBMFYSA-N 345.403 1.264 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC(N2CC[C@@H](O)C2)CC1 96099713 XJSZLYTUVZLUHU-GFCCVEGCSA-N 346.399 1.185 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CCCN(S(C)(=O)=O)CC1 24778523 ZRWVCJJHCTZIFK-UHFFFAOYSA-N 340.445 1.040 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(Cc3noc4c3CCCC4)C2=O)cn1 102703603 PCTMKZSUXXCYGD-LBPRGKRZSA-N 328.372 1.405 0 40 EDAB CN(Cc1cccs1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 30813349 YFRQUZUQMCPQJK-OAHLLOKOSA-N 342.424 1.827 0 40 EDAB CC[C@H]1CN(C(=O)c2cc(C)c(C)c(S(=O)(=O)NC)c2)CCO1 30855540 UQDCJNOFLOJFTF-AWEZNQCLSA-N 340.445 1.463 0 40 EDAB O=C(O)c1ccc(N2C(=O)C[C@@H](N(O)c3ccccc3)C2=O)cc1 20267387 BBDGPKPIFBOGGL-CQSZACIVSA-N 326.308 1.913 0 40 EDAB C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CCO1 40485405 GKELAPMGITVSCM-LLVKDONJSA-N 329.356 1.709 0 40 EDAB CCCOCC(=O)C[C@@H](C(=O)CCC(=O)O)C(=O)COCCC 100670771 DBSCRYQNCCHFEI-ZDUSSCGKSA-N 330.377 1.418 0 40 EDAB C[C@@H](C(N)=O)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 40528484 VWPAVWKKBXNVIV-QMMMGPOBSA-N 333.793 1.290 0 40 EDAB CC(=O)NC1CCN(C(=O)C(=O)c2c(C)[nH]c3ccccc23)CC1 51442160 VBFZCBNDQSEPAF-UHFFFAOYSA-N 327.384 1.786 0 40 EDAB CCCCc1noc(CN2CCc3cc(S(N)(=O)=O)ccc32)n1 29409551 OBGURNYGEDCJPI-UHFFFAOYSA-N 336.417 1.622 0 40 EDAB C[C@H](OC(=O)CCc1ccco1)C(=O)Nc1sccc1C(N)=O 17045436 XWIVQUXHPNZWNT-VIFPVBQESA-N 336.369 1.943 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 52052160 SJKDHATXQRPUHT-UHFFFAOYSA-N 342.486 1.734 0 40 EDAB C[C@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)NC(N)=O 3521086 CIQCNPWGBRUDEK-YFKPBYRVSA-N 349.568 1.843 0 40 EDAB O=C(CN1CCN(c2nccs2)CC1)Nc1nc2c(s1)CCC2 52359276 IBQXYBSAUNPOOI-UHFFFAOYSA-N 349.485 1.849 0 40 EDAB CCCOc1ccc2c(c1)OCC(C(=O)N1CC[C@@H](C(N)=O)C1)=C2 41129264 WITFTKVOOSSFIB-CYBMUJFWSA-N 330.384 1.585 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CC)cc1 6880425 DXPIGWWSIGUHLG-GFCCVEGCSA-N 328.434 1.668 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 100918882 SGHPRHVRHUWVMB-IUVQAAGXSA-N 338.363 1.577 0 40 EDAB 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CCN1C[C@]2(CC1=O)CN(Cc1ccco1)CCN(C(=O)N(C)C)C2 96036207 AMJNOXTWGKAYEZ-SFHVURJKSA-N 348.447 1.317 0 40 EDAB Cc1cnc(C(=O)N2C[C@@H]3COC[C@]3(COc3ccccn3)C2)cn1 96109047 GFBDHFAMLJYWST-KDOFPFPSSA-N 340.383 1.348 0 40 EDAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(N2CCOCC2)ncn1 243843937 RCJYIRUELDLRJE-UHFFFAOYSA-N 342.355 1.337 0 40 EDAB Cc1ncc(S(=O)(=O)Nc2ccc(N=S(C)(C)=O)cc2)[nH]1 585086334 BPDRFWDUCUJXPH-UHFFFAOYSA-N 328.419 1.878 0 40 EDAB Cc1noc([C@H]2CN(Cc3ccc4nc(O)[nH]c4c3)CCN2C)n1 585117696 SUTVVFPMDALPHO-CQSZACIVSA-N 328.376 1.449 0 40 EDAB COC(=O)c1cc(NC(=O)N[C@@H]2CCc3ncnn3C2)c(C)s1 585119912 ZTUYRZQKSLSQAP-SECBINFHSA-N 335.389 1.571 0 40 EDAB COC(=O)Cc1nn2cnc3sc4c(c3c2nc1=O)CCCC4 585152485 NUAKDSFSIHPWFS-UHFFFAOYSA-N 330.369 1.294 0 40 EDAB O=C(O[C@@H]1CCOC1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 585135237 VYRSUOQOMLVGSS-HUUCEWRRSA-N 344.371 1.566 0 40 EDAB CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccccc1C 585113742 AEQACJFKUGZNAJ-RHSMWYFYSA-N 326.400 1.961 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCCSCC1 585121583 SUIBTDMPZVHVHX-BLLLJJGKSA-N 344.477 1.712 0 40 EDAB CN(C(=O)NCc1cnc(Br)cn1)[C@H]1CCSC1 585137447 ZPQWRRIQVHYGOD-VIFPVBQESA-N 331.239 1.886 0 40 EDAB COC1(c2noc(-c3cc(N4CCOCC4)ncn3)n2)CCCC1 585136547 KJCIBHABDPFJLK-UHFFFAOYSA-N 331.376 1.779 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccncc3)CCN2C)c1 257273290 NFZUTERDDFNYCV-QGZVFWFLSA-N 338.411 1.570 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)c1ccc2c(ccn2C)c1 252498162 QVPNGAHIHCBMKO-MRXNPFEDSA-N 326.400 1.992 0 40 EDAB CN(C)c1ncc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)cn1 257253460 JZAOCORCBOPHEF-CQSZACIVSA-N 342.403 1.504 0 40 EDAB CC(=O)NCc1cc([C@@H]2CCCN2C2CCN(C(C)=O)CC2)ccn1 257281600 OQBNNMGETSWCEN-IBGZPJMESA-N 344.459 1.866 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3sc(C)nc3C)CCO2)n1 257205623 AZXHMBJJAYRKCA-GFCCVEGCSA-N 334.401 1.778 0 40 EDAB NC(=O)N1CCC(C(=O)NCCc2cnn(-c3ccccc3)c2)CC1 42660038 DYHJODDABHLYBQ-UHFFFAOYSA-N 341.415 1.322 0 40 EDAB CC(C)(N)C(=O)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 257260987 LFINLOFPSWUMMZ-HNNXBMFYSA-N 333.423 1.198 0 40 EDAB Cc1cc(N(C)C2CC3(CCN(C(=O)c4cnccn4)C3)C2)ncn1 257310280 UEMCCQOQPGWLGX-UHFFFAOYSA-N 338.415 1.706 0 40 EDAB C[C@@]1(NS(=O)(=O)c2cccc3cccnc23)CCS(=O)(=O)C1 265183785 GBTXJXOYQVOHJC-CQSZACIVSA-N 340.426 1.090 0 40 EDAB CCc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)cc1 85470729 YCFQVMCAOMOUGX-UHFFFAOYSA-N 328.294 1.802 0 40 EDAB CCN(CC(F)F)C(=O)c1sccc1S(=O)(=O)N(C)C 273339632 WGNVEGZEWSRDEP-UHFFFAOYSA-N 326.390 1.726 0 40 EDAB CSCCc1ccccc1NC(=O)[C@H]1Cn2c(C)nnc2CN1C 601720454 CATBHQSGSLIVOR-OAHLLOKOSA-N 345.472 1.945 0 40 EDAB CCC1(CO)CCN(C(=O)[C@]2(N)CCc3c(OC)cccc32)CC1 1615547802 QCSXKUIKCNJYSU-IBGZPJMESA-N 332.444 1.807 0 40 EDAB Cc1ccc(OCCC(=O)N2CC(n3cc(CO)nn3)C2)cc1C 1615615889 YUFNIWIYDYUIRC-UHFFFAOYSA-N 330.388 1.240 0 40 EDAB CCOC(=O)c1ccc(NS(=O)(=O)C[C@H](OC)C2CC2)c(O)c1 577751538 JQGLOBBMMXFLSF-AWEZNQCLSA-N 343.401 1.736 0 40 EDAB O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1ccc2c(c1)CCOC2 659126295 OIYOYGCNZMVTFC-MRXNPFEDSA-N 333.384 1.855 0 40 EDAB CCOCC(=O)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 575404062 PPCHCIOPDRIQSY-AWEZNQCLSA-N 329.462 1.553 0 40 EDAB Nc1nc(COC(=O)c2cc3c([nH]c2=O)CCC3)nc2ccccc12 61449980 CVCVJKATLJJTAV-UHFFFAOYSA-N 336.351 1.746 0 40 EDAB COc1ccc2[nH]cc(C(=O)N3C[C@@H](CC(N)=O)[C@@H](OC)C3)c2c1 585276481 ARHQNYGHZSJILA-BMIGLBTASA-N 331.372 1.139 0 40 EDAB O=C(N[C@@H](Cc1ccncc1)C(=O)O)c1cccc2c1OCCCO2 585091164 OTXQAXIXGKWJLE-AWEZNQCLSA-N 342.351 1.669 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCSc2ccccc21 47594083 OSFYKPYXUMAHNC-ZYHUDNBSSA-N 326.443 1.710 0 40 EDAB Cc1cc(C)c(CCNS(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C)c1 56109357 VVEOOAGJLQECPQ-UHFFFAOYSA-N 349.456 1.570 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)C1CC1 56111595 FAGOCNXCEZAZMA-QWHCGFSZSA-N 339.436 1.465 0 40 EDAB NS(=O)(=O)CCNC(=O)c1sccc1-c1ccc(F)cc1 58208717 XNSYVEHANKWOIK-UHFFFAOYSA-N 328.390 1.573 0 40 EDAB O=C(CSc1nncs1)N[C@@H]1CCN(c2ccccc2)C1=O 68199933 HOFDWROYBSLPDH-LLVKDONJSA-N 334.426 1.552 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2ccco2)[nH]c1=O 68217783 ZZCDLQHBMAGBCZ-ZDUSSCGKSA-N 331.372 1.525 0 40 EDAB Cc1cc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)no1 69419274 SBASSKANAQILNU-UHFFFAOYSA-N 332.364 1.229 0 40 EDAB COC(=O)c1sccc1NC(=O)N1CCC[C@H](OCCO)C1 72286271 GEIRNKIVBRECQG-JTQLQIEISA-N 328.390 1.540 0 40 EDAB CC(C)[C@H]1C(=O)NCCN1CC(=O)N(C)Cc1ccc(Cl)s1 66665793 BOMKBACNQSBIMB-AWEZNQCLSA-N 343.880 1.816 0 40 EDAB CCN1CCN(CCC(=O)N2CCO[C@@H](c3ccccc3C)C2)CC1 76087254 NQNMOQPREHVBEX-LJQANCHMSA-N 345.487 1.923 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC[C@H](CS(N)(=O)=O)C1)c1ccccc1 80121319 PCNCTRVIIGNRKS-GOEBONIOSA-N 338.473 1.953 0 40 EDAB O=C(O)[C@H](F)[C@H]1CCN(S(=O)(=O)c2cccc3c2OCC3)C1 1614994389 LPNYJJRINQUXGA-CMPLNLGQSA-N 329.349 1.055 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(C)c2OC)C1=O 5006744 VPWKIPHEHXZNTN-YRNVUSSQSA-N 334.328 1.078 0 40 EDAB COc1ccc(CCNC(=O)C(=O)Nc2cccnc2)cc1OC 5330252 FGNKLSSPIGESHD-UHFFFAOYSA-N 329.356 1.396 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NC[C@H](c1ccc(F)cc1)N(C)C 12239251 FVBVLVLAEPQZHM-CQSZACIVSA-N 340.424 1.449 0 40 EDAB Nc1nccnc1C(=O)OCCCCN1C(=O)c2ccccc2C1=O 14775190 ULJMOQGENPJJNA-UHFFFAOYSA-N 340.339 1.292 0 40 EDAB Nc1cc2ccccc2nc1C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 19376225 JXJIUBKNGPUKPA-INIZCTEOSA-N 338.411 1.802 0 40 EDAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(CCOC)C1 19695756 FBGINNYBHRUPPF-LJQANCHMSA-N 343.427 1.969 0 40 EDAB Cc1nn(C)cc1C(=O)N1CC(C(=O)NCCc2ccc(F)cc2)C1 19748658 HROVLICPPPYGJN-UHFFFAOYSA-N 344.390 1.299 0 40 EDAB CN(C)/C=C1\C(=O)N(c2ccc(Br)cc2)C[S@@]1=O 4642439 IEVLHWMAPWXHCT-JGZYNSJSSA-N 329.219 1.905 0 40 EDAB CN(C)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Cl)c[nH]2)c1 31149343 JVTDIFRZFKCTDP-UHFFFAOYSA-N 343.792 1.876 0 40 EDAB CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1ccc(-c2ccc(F)cc2)o1 643586207 HWAKRLSPMCDOFS-MRRJBJDNSA-N 349.358 1.526 0 40 EDAB CC1(C)C[C@]2(CCCN2C(=O)Cc2ccncc2)[C@H](CC(N)=O)O1 643585991 LLEJDJOQVZFBQD-KBXCAEBGSA-N 331.416 1.428 0 40 EDAB COc1cccc(CNC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 6847101 HNMVWJALGGMJOF-RCBQFDQVSA-N 344.411 1.875 0 40 EDAB Cc1nnc2ccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)nn12 1888891058 NZBWGPWLNLBYQS-UHFFFAOYSA-N 331.357 1.089 0 40 EDAB CC(C)c1nnc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)s1 1889108861 VDROIIRTZWYJAU-JTQLQIEISA-N 330.479 1.712 0 40 EDAB Cc1cc(N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)ncn1 1889138948 IDMITWKITABRGY-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB CCN=c1ccnc(N2CCN(c3nccn4nc(C)cc34)CC2)[nH]1 1889139002 XSYMMIOYIGLJMF-UHFFFAOYSA-N 338.419 1.008 0 40 EDAB CC(C)N1C[C@@]2(CCN(C(=O)c3cccc(F)c3)C2)COCC1=O 2037984917 RPXVWKBDCYSFRW-SFHVURJKSA-N 334.391 1.925 0 40 EDAB O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCCC1 9664201 GLQQXTVBNWOWER-GFCCVEGCSA-N 328.459 1.914 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N(C)C)cc1C 11899018 JIHNFJPDAJBJSY-QGZVFWFLSA-N 342.443 2.000 0 40 EDAB O=C(Nc1cccs1)N1CCN(c2ccc3nncn3n2)CC1 13700319 JYXHKCNVDFNIPT-UHFFFAOYSA-N 329.389 1.540 0 40 EDAB CCN(CC)C(=O)CSc1nnnn1-c1ccc(C(=O)O)cc1 19853137 UQOOIJBQDUMGBR-UHFFFAOYSA-N 335.389 1.321 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccc(-n3cncn3)cc2)C[C@@H](C)O1 40489256 PJRKMVRRSKFFTI-OKILXGFUSA-N 329.404 1.106 0 40 EDAB COc1ccc(OCCNc2nn3c(=O)cc(C)nc3s2)cc1 40487931 CMNAVOAXTAERDD-UHFFFAOYSA-N 332.385 1.959 0 40 EDAB O=C1COc2ccc(S(=O)(=O)N[C@@H]3CCc4ccccc43)cc2N1 40489774 OVLCIHXUHUPEQG-CQSZACIVSA-N 344.392 1.983 0 40 EDAB Cn1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1=O 40510522 OSLAFJPPNUPWRK-UHFFFAOYSA-N 340.305 1.641 0 40 EDAB COCCCNC(=O)c1nn(C)c2c1Cc1cc(OC)c(OC)cc1-2 32101737 CBDBTVGNRAJUOO-UHFFFAOYSA-N 345.399 1.775 0 40 EDAB CN(Cc1ccc2ccccc2c1)C(=O)CC[C@@H]1NC(=O)NC1=O 32678620 XCIMTHRLNFFPSD-HNNXBMFYSA-N 325.368 1.786 0 40 EDAB O=C(NCCOC(=O)[C@@H]1COc2ccccc2O1)c1ccncc1 2675160 XYTKDHWRUMELBX-HNNXBMFYSA-N 328.324 1.195 0 40 EDAB C[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1F 21310433 SPOIHCNGHSDSNA-NSHDSACASA-N 341.342 1.706 0 40 EDAB C[C@@H](C(=O)NCCNc1ccc(C(F)(F)F)cn1)S(C)(=O)=O 52579111 DMIVCILPIJIXDR-QMMMGPOBSA-N 339.339 1.062 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)Cn2cccnc2=O)cc1OC 32936569 ZFXRXIXBIMGECP-CQSZACIVSA-N 343.383 1.624 0 40 EDAB COC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2COCCO2)CC1 32945901 MWPWSGIJGYBJGG-OAHLLOKOSA-N 333.384 1.135 0 40 EDAB O=C(NCCNc1ncccn1)Nc1ccc(-n2cncn2)c(F)c1 70037228 FEBYONROZFURRN-UHFFFAOYSA-N 342.338 1.430 0 40 EDAB CN(C(=O)c1cc(Cl)c(Cl)n1C)[C@H]1CCS(=O)(=O)C1 32977322 AZHHRACCGRNSKY-ZETCQYMHSA-N 325.217 1.591 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2Cc3ccccc3O2)c1 33111967 QDXJDYIVNQWUCC-AWEZNQCLSA-N 346.408 1.328 0 40 EDAB CC(=O)N1CCC(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)CC1 76248728 LMPVKILASJURDH-HOTGVXAUSA-N 340.489 1.758 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(F)cc1Cl 53338920 YCSXJILEMRDMHL-VHSXEESVSA-N 328.771 1.970 0 40 EDAB Cc1nc(C(=O)NCCO[C@H]2CCCCO2)nn1-c1ccc(F)cc1 517976912 APBBZBKZYFZONV-HNNXBMFYSA-N 348.378 1.988 0 40 EDAB O=C(NCC12CC3CC(CC(C3)C1)C2)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102601535 PTQYCZUBYRLQBS-WYHBPWRNSA-N 331.412 1.973 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(c2ccncc2)CC1 23640663 OEXDDMSQPHJCJH-UHFFFAOYSA-N 343.431 1.416 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1cccnc1)C2=O 23874590 BDCILJFVSUTIGY-ACJLOTCBSA-N 344.415 1.241 0 40 EDAB NC(=O)Cc1nc2ccccc2n1C[C@@H](O)COCc1ccccc1 25265593 YVQRYDJIMBJNJQ-OAHLLOKOSA-N 339.395 1.642 0 40 EDAB C[C@H](c1ccc2c(c1)OCO2)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@H]3C1=O 100918368 LCPQTKFZJSZOCI-METCIYGBSA-N 343.335 1.343 0 40 EDAB biogenic Cc1n[nH]c([C@@H]2CN([C@H](C)C(=O)N[C@H](C)Cc3ccco3)CCO2)n1 107139722 RMZFDANLYSRGTM-JMSVASOKSA-N 347.419 1.215 0 40 EDAB CN(CCNC(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)Cc1ccccc1 107146550 JFXQVEKVFXNGJB-XMTFNYHQSA-N 329.444 1.937 0 40 EDAB NC(=O)CSc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 25708870 JYQMYPWYMIWPIR-UHFFFAOYSA-N 342.380 1.686 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)c1cc(Cl)ccc1-n1cnnn1 57097950 YHCWWTKBZJQNSR-JTQLQIEISA-N 331.767 1.331 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c1 26539571 AYPWANHGKBTOEO-UHFFFAOYSA-N 344.352 1.766 0 40 EDAB COc1ccnc(N2CCN(CC(=O)N(C)c3ccccc3)CC2)n1 58194227 WPZPRDAASSYFJW-UHFFFAOYSA-N 341.415 1.270 0 40 EDAB O=C(CN1CCC(c2cc[nH]n2)CC1)NCCOc1ccccc1 58227088 ZDRDRDVZAUTHQY-UHFFFAOYSA-N 328.416 1.784 0 40 EDAB CNC(=O)N1CCN([C@H](C)c2nc(Cc3ccccc3)no2)CC1 48235229 HEESYOUFIXEMFU-CYBMUJFWSA-N 329.404 1.678 0 40 EDAB COc1ccc([C@H](NC(=O)NC[C@@H]2CCCO2)c2nccn2C)cc1 44945730 HPDMAVDTXBZAHX-HOTGVXAUSA-N 344.415 1.996 0 40 EDAB CC(C)N(C)S(=O)(=O)NC[C@@H](c1ccco1)N1CCCCC1 44937221 OPTSRDZOUQFFLF-AWEZNQCLSA-N 329.466 1.981 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)N(C[C@@H]2CCOC2)C2CC2)C1=O 44940935 VDQRPXWNCNNASG-KBPBESRZSA-N 344.411 1.828 0 40 EDAB COc1cc(F)c(S(=O)(=O)NCC(C)(C)N(C)C)cc1OC 44936095 WUAXVNASOAQMCV-UHFFFAOYSA-N 334.413 1.461 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N1CCC(C(N)=O)CC1)=C2 44939229 HCAWLARVMOZBNP-UHFFFAOYSA-N 330.384 1.585 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)Nc3cccnc3)cn2)CC1 44969148 LOQWLICLAUDJLF-UHFFFAOYSA-N 340.431 1.940 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2F)on1 44915704 HODRIUCMDQXVMV-SNVBAGLBSA-N 338.360 1.645 0 40 EDAB O=C1COc2ccccc2N1CC(=O)N(C[C@@H]1CCOC1)C1CC1 44940953 IMMSIXWLGJEOMG-ZDUSSCGKSA-N 330.384 1.440 0 40 EDAB COCCOc1ncccc1C(=O)N[C@@H](C(=O)OC)c1ccccc1 58341178 NCXGVTADDWGHRP-OAHLLOKOSA-N 344.367 1.751 0 40 EDAB Cc1c(C(=O)NCc2cccs2)cnn1[C@@H]1CCS(=O)(=O)C1 58356559 ZQWLWYDXRMYFIA-LLVKDONJSA-N 339.442 1.543 0 40 EDAB O=S(=O)(CCNCc1cnc2ccnn2c1)Cc1ccccc1 58356046 GHXDBSMBUHSLHJ-UHFFFAOYSA-N 330.413 1.434 0 40 EDAB CCc1c(C(=O)N[C@H](Cc2ccccc2)C(N)=O)[nH]c(C)c1C(C)=O 58402719 IKNRMIQNAHHKCK-OAHLLOKOSA-N 341.411 1.915 0 40 EDAB CCCOc1cccc(CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 45674205 FDNKXOBDTDPHRL-AWEZNQCLSA-N 340.445 1.709 0 40 EDAB CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 12801242 KPDGOOWIOZROER-UHFFFAOYSA-N 346.836 1.501 0 40 EDAB C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1sccc1C(N)=O 12811649 FHGYCCHMRDWWND-LURJTMIESA-N 338.418 1.288 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CCCC3)C2=O)cc1 3461671 PFZOMOONHPUMNY-SFHVURJKSA-N 329.400 1.821 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C(F)(F)F)cc1 12927398 HMQSFQWSFULHDY-GFCCVEGCSA-N 330.306 1.569 0 40 EDAB CC1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 13056344 RMIHJLMIWOKXCE-UHFFFAOYSA-N 343.349 1.891 0 40 EDAB CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)Cc1cn2ccccc2n1 69453798 WTQHYWLLVGPYMZ-CQSZACIVSA-N 346.456 1.645 0 40 EDAB CCN1CCN(C2CCN(Cc3nnc(C4CC4)n3C)CC2)C1=O 69493361 VFNKHGJJNIRAEY-UHFFFAOYSA-N 332.452 1.414 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cccn2Cc2cccnc2)CC1 69843150 BNRWYCAUROGAPZ-HNNXBMFYSA-N 328.416 1.070 0 40 EDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2ncccc12 13628604 PDRQLGFGUHQHEW-ZDUSSCGKSA-N 326.400 1.774 0 40 EDAB O=C(C[C@@H]1C(=O)Nc2ncnn21)Nc1cccc(C(F)(F)F)c1 13687857 YHBQPSLLOPKQLH-SECBINFHSA-N 325.250 1.819 0 40 EDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1F 4248602 UEHRRDFZHPJXKO-UHFFFAOYSA-N 327.319 1.123 0 40 EDAB Cn1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)n1 69528183 QPTFZCYPMMJZTM-SNVBAGLBSA-N 340.430 1.273 0 40 EDAB COC(=O)c1ccc(NC(=O)NCC(=O)Nc2cccnc2)c(C)c1 69581081 VZKLVSMUZSARSJ-UHFFFAOYSA-N 342.355 1.937 0 40 EDAB Cc1nnc2n1CCN(C(=O)COCc1nc3ccccc3s1)C2 69587615 ZADREPVJCWVHIX-UHFFFAOYSA-N 343.412 1.755 0 40 EDAB Cc1cccc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)n1 69659049 PGRKNAMMRWXARF-SFHVURJKSA-N 325.412 1.881 0 40 EDAB CN(C)CCCN(CCCN(C)C)C(=O)c1ccc2c(c1)CCO2 69665832 RKQNNKYURCEYSQ-UHFFFAOYSA-N 333.476 1.967 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)Cn2nc(C)cc2C)CC1 69778754 BSAJPUGJHKALHE-UHFFFAOYSA-N 344.463 1.451 0 40 EDAB CCc1ccc(O)c(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1 65474550 OWPCWQKSYYSNBX-UHFFFAOYSA-N 346.427 1.666 0 40 EDAB O=C(NCCNc1cnccn1)[C@H]1CC(=O)N(c2ccccc2F)C1 65411574 GEDGZRQGSUTQBJ-LBPRGKRZSA-N 343.362 1.197 0 40 EDAB CCOC(=O)[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)C1CC1 69982653 NOOQVVGPYXTJGD-CQSZACIVSA-N 331.434 1.192 0 40 EDAB Cc1cc(C)nc(SCC(=O)NCc2nnc3ccccn23)n1 14170855 WMELUFUXULLALL-UHFFFAOYSA-N 328.401 1.545 0 40 EDAB O=C(CCN(CC1CC1)C1CC1)N1CCN(c2ccccn2)CC1 65622062 MKAWNVFPDOKTML-UHFFFAOYSA-N 328.460 1.995 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c1 4660902 NGXAGADOESECAD-UHFFFAOYSA-N 337.309 1.589 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(CCC2CCCC2)n[nH]1 8704678 XYPUYXUXMDVNQY-SECBINFHSA-N 325.438 1.864 0 40 EDAB COc1ccccc1CNC(=O)Cc1c(C)nc2nc(N)nn2c1C 9112586 QWMBXKJMLCUFRW-UHFFFAOYSA-N 340.387 1.191 0 40 EDAB C[C@H](C(=O)NCc1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 15302824 OHZVFRKVQPOXHX-WBVHZDCISA-N 345.443 1.015 0 40 EDAB CS(=O)(=O)c1nc(C(=O)NC(C2CC2)C2CC2)c2ccccn12 67658978 NWEZZFLQRVDJHX-UHFFFAOYSA-N 333.413 1.656 0 40 EDAB CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cccnc2)CC1 67800588 JJPGXEVLTCJZSF-UHFFFAOYSA-N 341.433 1.759 0 40 EDAB COCCn1cc2c(n1)[C@@H](NC(=O)c1cc(OC)ccn1)CCC2 96002909 DUOGMUHQMLQFDD-AWEZNQCLSA-N 330.388 1.741 0 40 EDAB O=C(Cn1ccc(-c2ccccc2)n1)NC[C@@H]1CCS(=O)(=O)C1 96475740 FYDCCMMBMVWPEE-ZDUSSCGKSA-N 333.413 1.101 0 40 EDAB O=C1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCN1 71839447 PQBVKBSPFCNVHA-HNNXBMFYSA-N 333.407 1.386 0 40 EDAB COc1c(C)cnc(CN2CCO[C@H](CNc3cccnn3)C2)c1C 78893955 HSZMREOTXFJITE-OAHLLOKOSA-N 343.431 1.810 0 40 EDAB O=C(COc1c(CO)cc(F)cc1CO)NCCc1ccccc1 9722593 UHWOURPPHQTSQJ-UHFFFAOYSA-N 333.359 1.548 0 40 EDAB NC(=O)c1cnn(CCOC(=O)C[C@H]2CCc3ccccc32)c1N 72289705 VTFYBHJJDBWXEY-GFCCVEGCSA-N 328.372 1.228 0 40 EDAB Cn1nccc1CCNC(=O)Nc1ccccc1N1CCOCC1 97140857 CUMPGLYJOOQLPA-UHFFFAOYSA-N 329.404 1.621 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1nc3c(F)cccc3[nH]1)CC2 72302249 DAWTXXRZSVZMPO-UHFFFAOYSA-N 327.363 1.837 0 40 EDAB COc1nc(N2CCC(CC(N)=O)CC2)ncc1Br 72312197 LUTCSEXWSFMJEB-UHFFFAOYSA-N 329.198 1.340 0 40 EDAB C[C@@H](CCc1ccccc1F)C(=O)N1CCCN(CC(N)=O)CC1 72302859 ALRNBWLIVSHQOW-AWEZNQCLSA-N 335.423 1.414 0 40 EDAB Cn1c(=O)c(CN2CCN(Cc3ccco3)CC2)nc2ccccc21 97201275 JRTATGBCFMBVOT-UHFFFAOYSA-N 338.411 1.844 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(CCCOc3ccc(F)cc3)C2)C1=O 84597339 WELPRNLTXDJZLK-GOSISDBHSA-N 349.406 1.999 0 40 EDAB CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC)c(O)c1 84774011 CVDJDUUPCFUWLN-JTQLQIEISA-N 337.376 1.239 0 40 EDAB Cc1c(CCNC(=O)NC[C@](C)(O)c2ccc(F)cc2)cnn1C 95442772 ZTUVZHAUKVYNIM-KRWDZBQOSA-N 334.395 1.617 0 40 EDAB CN(C)C1(CNC(=O)c2cc(Br)c[nH]2)CCOCC1 73131052 XXGCADWZAPWFMR-UHFFFAOYSA-N 330.226 1.618 0 40 EDAB O=c1oc2cccnc2n1CCn1nnnc1/C=C/c1ccccc1 95981535 FUZWVDVEWOHBTQ-CMDGGOBGSA-N 334.339 1.847 0 40 EDAB COCCN1CCC(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 89414240 SQFOBNIZIRLMCY-KRWDZBQOSA-N 346.427 1.243 0 40 EDAB Cc1nonc1NC(=O)CCn1cc(Br)ccc1=O 75092458 NVAVYRBVOCHOQW-UHFFFAOYSA-N 327.138 1.331 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)Cc1cc2ccccc2[nH]c1=O 89662652 XIJOKHJQWAOSLD-UHFFFAOYSA-N 345.399 1.712 0 40 EDAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC2(CC1)CNCCO2 1548586679 QBFUOCPJLGFDNE-HNNXBMFYSA-N 336.407 1.964 0 40 EDAB O=C(c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12)C(O)O 34140578 WRJHMXYZZKNSJD-UHFFFAOYSA-N 325.320 1.601 0 40 EDAB CC[C@@H](C)NC(=O)CCNC(=O)N(C)Cc1nccn1C(F)F 127049594 SBUKDASBIJQGCO-SNVBAGLBSA-N 331.367 1.724 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(c2nnc(C(C)C)o2)CC1 38518234 FJZQQGGKWPLCJI-UHFFFAOYSA-N 333.392 1.955 0 40 EDAB O=C(NC[C@@]12CNC[C@@]1(C(F)(F)F)C2)N1CCC(CCO)CC1 1551565854 PIRHVJGJQCRKHJ-KGLIPLIRSA-N 335.370 1.332 0 40 EDAB Cc1cc(N2CCC[C@](C)(c3[nH]ncc3C(=O)N(C)C)C2)nc(N)n1 72388790 QUTPDDOKDFRDDQ-KRWDZBQOSA-N 343.435 1.350 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCCN(C(=O)c2ccco2)CC1 75034874 BMMVOIBVBDJLCF-UHFFFAOYSA-N 342.351 1.997 0 40 EDAB Cc1nccn1-c1cccc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 72379190 PFLXEXDGXBWSKW-CQSZACIVSA-N 349.460 1.562 0 40 EDAB COC(=O)c1ccc(C(=O)NC[C@]2(OCCO)CCSC2)cc1 1565520543 YQMZSABYKDERSZ-MRXNPFEDSA-N 339.413 1.088 0 40 EDAB COCCC1(NS(=O)(=O)c2ccc(C(=O)O)cc2OC)CCC1 566735997 RYHGUDDFNBJUKP-UHFFFAOYSA-N 343.401 1.631 0 40 EDAB COCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241346 FPSQHQJNSAHGKO-KGLIPLIRSA-N 326.780 1.001 0 40 EDAB COCc1nnc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)s1 71284259 HYEHMAAXRMFZMQ-UHFFFAOYSA-N 345.384 1.113 0 40 EDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(F)cc1F 71980077 RIONVUFVHIBBHH-ZDUSSCGKSA-N 340.326 1.312 0 40 EDAB Cn1cccc(C(=O)Nc2cnc3cc(C(F)(F)F)nn3c2)c1=O 225570906 MSNQNJNLDHLZKL-UHFFFAOYSA-N 337.261 1.699 0 40 EDAB COC[C@H]1C[C@@H](NC(=O)c2cc(C(C)(C)C)oc2C)[C@H](O)[C@@H]1O 225507984 QRGAIUBMWSRIBD-LTZCYQRMSA-N 325.405 1.372 0 40 EDAB biogenic,in-vitro Cc1cc(S(=O)(=O)N2CCO[C@@H](CN(C)C)C2)sc1Cl 195578794 KWJNHJFDBFBJOJ-JTQLQIEISA-N 338.882 1.661 0 40 EDAB CCn1cnc2c(N3CCN(c4ccc(C#N)nc4)CC3)ncnc21 286347602 HAVSJCBQQAVYFM-UHFFFAOYSA-N 334.387 1.439 0 40 EDAB Cc1cc(NC(=O)c2c(C)noc2C)n([C@@H]2CCS(=O)(=O)C2)n1 43964314 SAZMKNGWPUYUCP-LLVKDONJSA-N 338.389 1.408 0 40 EDAB COCCNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 49544050 NSRCNPDBIXCAPL-UHFFFAOYSA-N 337.379 1.826 0 40 EDAB Cc1nn(CC(=O)NCC2(N(C)C)CCCC2)c(=O)c2ccccc12 42766161 HDEYZIMNNGWSDC-UHFFFAOYSA-N 342.443 1.696 0 40 EDAB Cc1ccc(N2C[C@@H](NC(=O)[C@@H]3CCc4[nH]cnc4C3)CC2=O)cc1 225514910 BAPAQIOAKNCZKG-KGLIPLIRSA-N 338.411 1.745 0 40 EDAB Cc1cccc(N2N=C(C(=O)N[C@@H](C)Cn3ccnc3)CCC2=O)c1 42510005 TZQKSTYANNJQLM-AWEZNQCLSA-N 339.399 1.879 0 40 EDAB CC(C)(C)N1C(=O)C[C@@H](NCC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 225420693 HMIYCSQGPMSLCA-IUODEOHRSA-N 341.814 1.995 0 40 EDAB O=C(NCCN1CCC(c2cccs2)CC1)C(=O)Nc1ccon1 77104238 NBLDVJDLVYQYNB-UHFFFAOYSA-N 348.428 1.670 0 40 EDAB Cn1cc(CN2CCC3(CCN(C(=O)c4cnccn4)CC3)C2)cn1 96062901 KSYNTLKTFMEPMJ-UHFFFAOYSA-N 340.431 1.338 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)N2CCOCC2)C1 96038717 KGFUQYHFSKCNNQ-SJLPKXTDSA-N 349.431 1.131 0 40 EDAB C[C@@H](C(=O)NCC1(C(N)=O)CCOCC1)c1cc2ccccc2o1 96451178 XVYWULCHKARGTC-GFCCVEGCSA-N 330.384 1.935 0 40 EDAB Cc1nc2ccc(NC(=O)CCn3nc4ccccn4c3=O)cc2o1 96405386 YECUVCVMXDXGOJ-UHFFFAOYSA-N 337.339 1.974 0 40 EDAB O=C(CCc1cccnc1)N1C[C@@H]2CN(Cc3ccncc3)C[C@H]2C1 96081002 UOAQMJWQXJKMET-OALUTQOASA-N 336.439 2.000 0 40 EDAB CC(C)NC(=O)N1CCN(Cc2ccoc2)C[C@]2(CNC(=O)C2)C1 96035987 FBWSMPJJELVLMO-KRWDZBQOSA-N 334.420 1.022 0 40 EDAB CS(=O)(=O)N1CC[C@@H](CNC(=O)/C=C/c2cc3ccccc3o2)C1 95435302 NLPGLQYNNPRZAB-YBJDMEARSA-N 348.424 1.844 0 40 EDAB Cn1nccc1CNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 96426201 ZQNPGFABOBMDER-MRXNPFEDSA-N 332.379 1.249 0 40 EDAB C[C@H]1OCCN(S(=O)(=O)c2ccc(C(C)(C)C(=O)O)cc2)[C@@H]1C 578643785 BYECEWLBHUENIK-VXGBXAGGSA-N 341.429 1.847 0 40 EDAB Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(CC2(CO)COC2)C1 578776375 QCHKIHQCCLUJTA-LLVKDONJSA-N 333.354 1.627 0 40 EDAB CN(C)CCN1C(=O)CC[C@@]12CCCN(C(=O)c1cccs1)C2 96203190 OAOMKPPZCURWNT-QGZVFWFLSA-N 335.473 1.907 0 40 EDAB CN(C)C(=O)COC[C@@H]1C[C@H]2OCCN(Cc3ccsc3)[C@@H]2C1 96055397 ODVCYKDOEOAVCE-ARFHVFGLSA-N 338.473 1.832 0 40 EDAB CC[C@@H](NC(=O)CN1CCN(c2ccccn2)CC1)c1nccs1 96437094 NFGPEWZSJVDUCF-CQSZACIVSA-N 345.472 1.928 0 40 EDAB O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1n[nH]c2ccccc12 96502333 NBAAVHNVMCWCGC-HNNXBMFYSA-N 335.367 1.883 0 40 EDAB Cc1ccccc1CCNC(=O)CN1CCC[C@@H]1[C@H]1COCC[C@H]1O 583614740 XBTJFXNDJOHBRF-GUDVDZBRSA-N 346.471 1.516 0 40 EDAB CCn1nncc1CNC(=O)Nc1ccc(Cn2cccn2)cc1 528946612 UUUHMMLNQLWJCB-UHFFFAOYSA-N 325.376 1.865 0 40 EDAB Cc1cnc(CCNS(=O)(=O)c2cc(C(=O)O)sc2C)cn1 584622203 IYANSKGEKFKFDV-UHFFFAOYSA-N 341.414 1.374 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)CCN3CCOCC3)CCN2C)cc1 257217905 DBBHLWZYFMOYCL-SFHVURJKSA-N 347.459 1.233 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)CCCn2ccnc2)n1 257228608 FUOAMTVYFBNICA-CQSZACIVSA-N 331.376 1.067 0 40 EDAB O=S(=O)(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1cccnc1 257209369 BQCQFTXANULZBA-BZUAXINKSA-N 339.461 1.128 0 40 EDAB CN(C)[C@H](C(=O)Nc1cccc2c1OCC(=O)N2)c1cccnc1 585084977 UDFOUDCBBVYAHA-HNNXBMFYSA-N 326.356 1.654 0 40 EDAB Cc1ncccc1C(=O)N(C)C[C@@]1(O)CCCN(c2cnccn2)C1 257222824 DUUVTECUXWYHMP-SFHVURJKSA-N 341.415 1.284 0 40 EDAB Cc1cccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)n1 257317507 VJZMAIDPRYAGTE-SFHVURJKSA-N 341.415 1.284 0 40 EDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1cc(-c2cccnc2)[nH]n1 257210313 BUBLRALGCWEJNC-HNNXBMFYSA-N 338.371 1.717 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C(=O)C3CCOCC3)CCN2C)c1 257233773 GQRCQSAJTYTUGS-QGZVFWFLSA-N 345.443 1.288 0 40 EDAB Cn1cc(C(=O)NCc2cn(-c3ccccc3C(=O)O)cn2)cn1 257302443 SCZBGVXFARZUSU-UHFFFAOYSA-N 325.328 1.234 0 40 EDAB CC(C)n1nccc1C(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257265094 LXHXOKFXJPSFCN-SFHVURJKSA-N 343.431 1.620 0 40 EDAB CCn1cc(-c2cnc([C@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1 257291613 QHWDVFSQARXVIN-LBPRGKRZSA-N 335.433 1.499 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)Cn2c(=O)oc3ccccc32)n1 257231230 GFWNLODTJBWFBJ-CYBMUJFWSA-N 342.355 1.226 0 40 EDAB COC[C@@H]1CN(C(=O)c2n[nH]c3ccccc23)C[C@H]1c1cnn(C)c1 585655588 FIULVQBPTLQUNR-ZFWWWQNUSA-N 339.399 1.799 0 40 EDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2cnc(C)cn2)n1 257318408 VNUHSAODENBXRZ-MRXNPFEDSA-N 340.387 1.188 0 40 EDAB C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCC2(CCOCC2)CC1 252498654 RHGPEYKNFUPYQW-ZDUSSCGKSA-N 332.466 1.412 0 40 EDAB CC(C)n1nnnc1-c1ccccc1NC(=O)N1CC[C@H](C(=O)O)C1 262998131 FQOJKBDLWAQVHT-NSHDSACASA-N 344.375 1.859 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCC1(C)CC1 280606980 YBLUGMMOJGLKKS-UHFFFAOYSA-N 331.459 1.867 0 40 EDAB CCOc1cccc(N2CCN(C(=O)[C@@H](C)c3ncccn3)CC2)n1 1615556943 PDZKMZAJYOPBNI-AWEZNQCLSA-N 341.415 1.723 0 40 EDAB COc1cc(Cn2nnnc2N2CCC(CO)(OC)CC2)ccc1C 1616033094 KROQEHJYAAXRMW-UHFFFAOYSA-N 347.419 1.016 0 40 EDAB Cc1cccc2nc(NCc3cn(CCO)c(=O)nc3O)sc12 1616039223 YQRRHRPSPAKRGU-UHFFFAOYSA-N 332.385 1.471 0 40 EDAB CCn1cc(-c2noc(CNC(=O)c3cnc4ccccc4n3)n2)cn1 390832382 ZDHQBYXFBPBXNI-UHFFFAOYSA-N 349.354 1.826 0 40 EDAB O=C(c1ccc2[nH]cnc2c1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122102 YBZHSHNPXDWDPH-UHFFFAOYSA-N 345.380 1.595 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)CC2CCOCC2)CCO1 585278023 OXUGZMLKTICWMQ-HXUWFJFHSA-N 347.455 1.944 0 40 EDAB COCCN1C[C@]2(COCCN([C@H](C)c3ccccc3)C2)CC1=O 585104421 MZFKRZPBZATHBV-APWZRJJASA-N 332.444 1.945 0 40 EDAB CC(C)CC(=O)N1Cc2cncn2[C@@H](C(=O)NCc2ccco2)C1 585095938 DWWAHCNNMZMXKV-OAHLLOKOSA-N 330.388 1.722 0 40 EDAB O=C(CN1CCOCC1)NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585284972 KXDKPPIMGKRZKZ-SZVBFZGTSA-N 348.443 1.043 0 40 EDAB Cn1cnc2c1C[C@H](COc1ccccn1)N(S(=O)(=O)C1CC1)C2 585095013 ZQSSUDZAYLJFFC-GFCCVEGCSA-N 348.428 1.113 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCSc2ccccc21 47594085 OSFYKPYXUMAHNC-CMPLNLGQSA-N 326.443 1.710 0 40 EDAB C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCC(=O)N1CCCC1 56322111 ZLXXNHYDQITJBB-WCQYABFASA-N 347.390 1.772 0 40 EDAB NC(=O)C1CCN(C(=O)NCCCN2CCc3ccccc32)CC1 58412177 VKJJNASGYSKJCT-UHFFFAOYSA-N 330.432 1.346 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCC(C(=O)Nc2nccs2)CC1 58419921 FXENOYLUFLPGGS-LBPRGKRZSA-N 336.461 1.805 0 40 EDAB COC(=O)C(C)(C)NS(=O)(=O)c1ccc(-n2cccn2)c(F)c1 70014716 WWQBPOARHUYREB-UHFFFAOYSA-N 341.364 1.241 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)C1 78235983 YGNUVEIGSPEOPB-SECBINFHSA-N 331.825 1.828 0 40 EDAB CC(C)C[C@H](NC(=O)Nc1cccc2cccnc12)C(=O)NCCO 79100506 VVUHLRRMSJJTQD-HNNXBMFYSA-N 344.415 1.880 0 40 EDAB F[C@H]1C[C@@H](CNc2ccnc(C3CC3)n2)N(Cc2cncnc2)C1 583622101 NJKZNADHCMUKHO-GJZGRUSLSA-N 328.395 2.169 0 40 EDAB CCCC[C@@H](N)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 1615046538 JCDRJSDNCQMBSN-CYBMUJFWSA-N 331.424 1.315 0 40 EDAB CCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)n[nH]c1=O 5925111 RFNUELSEWGXGFS-UHFFFAOYSA-N 334.401 1.915 0 40 EDAB O=C(CCn1ccc2ccncc21)N1CCN(C[C@H]2CCOC2)CC1 12144266 PRZVIWLXSHTWBN-MRXNPFEDSA-N 342.443 1.607 0 40 EDAB C[C@H](NC(=O)[C@@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)CCC2 12194956 DPHUBNDNMQZDOO-LRDDRELGSA-N 334.441 1.553 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C 18525985 IHTYYKNULISRPY-STQMWFEESA-N 328.368 1.968 0 40 EDAB Cn1c(=O)n(CC(=O)Nc2ccc3c(c2)COC3=O)c2cccnc21 19289535 BOAUJGYNXHUWOY-UHFFFAOYSA-N 338.323 1.044 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@H]21 19529727 ZJHQRZLSQPLXSE-NEULZYRMSA-N 334.347 1.023 0 40 EDAB NC(=O)NC(=O)C1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 158246401 ISCSQHQUXWPZGU-AXVKAWJUSA-N 347.390 1.799 0 40 EDAB CN1C[C@@H](C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)CC1=O 220767947 RUDIVLQQTDDJHL-YPMHNXCESA-N 332.404 1.206 0 40 EDAB O=C(NCC1CC1)C1CCN(c2nc3ccccc3[nH]c2=O)CC1 22582828 FDMRSBYIWVMIME-UHFFFAOYSA-N 326.400 1.666 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2)cc1C 1888853899 SIKHAMLGVMWULW-OAHLLOKOSA-N 338.473 1.835 0 40 EDAB CCNC(=O)CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O 1888888465 NJOWQUWRVVCPRJ-UHFFFAOYSA-N 328.347 1.828 0 40 EDAB COC(=O)c1ccc(C(=O)NCC2(O)CSCCSC2)cc1 1888914712 CPULEUTVPUGRQX-UHFFFAOYSA-N 341.454 1.414 0 40 EDAB O=C([C@@H]1CN(c2ncnc3ccc(F)cc23)CCO1)N1CCCCC1 1888914752 PQEWMUVMGBFNKT-INIZCTEOSA-N 344.390 1.987 0 40 EDAB CCN=c1cc(C)nc(N2CCN(c3ccnc(C(C)C)n3)CC2)[nH]1 1889103539 HMZWDIRLLPMBRD-UHFFFAOYSA-N 341.463 1.879 0 40 EDAB CCOc1ccccc1CN1CCO[C@]2(COCC(=O)N(C)C2)C1 2037984200 UBTRFVZIZBNGJG-SFHVURJKSA-N 334.416 1.145 0 40 EDAB Oc1ccc(N2CCN(c3ncnc4ccc(F)cc34)CC2)nn1 2087023449 AKDVMODUMOBBGN-UHFFFAOYSA-N 326.335 1.591 0 40 EDAB COC[C@H]1CC2(CCN(C(=O)CCc3cncnc3)CC2)CN1C 1565542771 PZJSEJKYYPJCNA-MRXNPFEDSA-N 332.448 1.369 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)C1(F)CCC1)C2 1565544483 LXAPYLZUDIXBLS-SFHVURJKSA-N 345.418 1.828 0 40 EDAB COc1ncccc1CN1CCC[C@@](C(=O)N(C)C)(n2cccn2)C1 2055771531 FPQKVUUWXDYNQJ-GOSISDBHSA-N 343.431 1.366 0 40 EDAB OCc1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(CO)cc2)cc1 28294258 OEWQHIUCWLZYRT-QZTJIDSGSA-N 332.352 1.828 0 40 EDAB CCOC(=O)[C@H]1C[C@@H]2C[C@@H]1[C@H]1Sc3c(C(=O)OC)ccc[n+]3[C@H]21 100245014 XCOYIPURENTESE-DDNRWTCHSA-N 334.417 1.995 0 40 EDAB CN(C)c1ccnc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 2086884706 LVTFQDJNEZMVQE-CYBMUJFWSA-N 335.477 1.334 0 40 EDAB Cn1cccc(C(=O)NC[C@H](c2ccsc2)n2cccn2)c1=O 575614228 PXZUYOMHLRPZBG-CQSZACIVSA-N 328.397 1.663 0 40 EDAB Cn1cc(-c2nccnc2CNC(=O)COc2ccccc2F)cn1 575620981 WYMJKGHNSIKVPI-UHFFFAOYSA-N 341.346 1.711 0 40 EDAB COc1cccc(OC)c1C(=O)Nc1cccc2c1C(=O)NC2=O 3315488 ZAJDUMBFGXEOSL-UHFFFAOYSA-N 326.308 1.840 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1cccs1 75155935 JJNMEAHUYDRYON-MRXNPFEDSA-N 348.380 1.439 0 40 EDAB COc1ccc(N[C@H](C)C(=O)NC(N)=O)cc1OC[C@H]1CCCO1 30454596 GYKWWNSHTNIBBJ-ZYHUDNBSSA-N 337.376 1.248 0 40 EDAB Cc1cc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)no1 31159251 LQCMPYAAQYBXED-SUMWQHHRSA-N 346.387 1.367 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N(Cc1ccc(Cl)cc1)C1CC1 40498907 AEJDJKMRYDWDQI-UHFFFAOYSA-N 333.775 1.381 0 40 EDAB Cc1ccc(-n2ncc(C(=O)N[C@@H]3CCCCNC3=O)c2C)cc1 40521886 BSXRKZJEJIBNNP-MRXNPFEDSA-N 326.400 1.888 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nncn3C)C2)cc1F 40527200 JPRWDJBGGBRMHT-GFCCVEGCSA-N 338.408 1.831 0 40 EDAB COC(=O)CNC(=O)Nc1ccccc1C(=O)N1CCSCC1 20714601 LULPGWXBOUNNDU-UHFFFAOYSA-N 337.401 1.170 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CCN(c2ccccc2)CC1 20726274 OZXPJHQEUNXLKF-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB O=C(O)[C@H]1CCCCN1C(=O)c1c[nH]n2c1nc(=O)c1ccccc12 101696526 CJOHDOUKPJPYNK-CYBMUJFWSA-N 340.339 1.255 0 40 EDAB Cc1ccoc1-c1nnc(CN2CCN(Cc3nccn3C)CC2)o1 69442853 BDZONVARBUCJAE-UHFFFAOYSA-N 342.403 1.689 0 40 EDAB CCCCn1nc(C(=O)NCc2ccc3c(c2)OCO3)ccc1=O 11781526 OZBKEJBZWAULEK-UHFFFAOYSA-N 329.356 1.702 0 40 EDAB Cn1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1=O 46375691 BJDRZKJHEMUZOH-UHFFFAOYSA-N 325.412 1.911 0 40 EDAB NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Nc1cccc(OCC(F)(F)F)c1 75572590 GQJUUWPITQDPOF-KOLCDFICSA-N 347.293 1.080 0 40 EDAB COC(=O)[C@H]1[C@@H](c2ccc(N(C)C)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4385906 PVTJDUYZYJQGNC-JOQOYGCGSA-N 345.399 1.410 0 40 EDAB Cc1ccc(Cn2cnc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)n2)cc1 6922868 KCDNGGLMXIMIEC-NMWPEEMBSA-N 338.367 1.302 0 40 EDAB COCCNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 8428335 LHPSTCDWGZUJOH-UHFFFAOYSA-N 343.408 1.888 0 40 EDAB Cc1ccoc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 8777095 NEDJCMWDQZFRJD-UHFFFAOYSA-N 340.426 1.796 0 40 EDAB C[C@@H](c1cccc(Cl)c1)N(C)CCS(=O)(=O)CCC(N)=O 53232852 FRFSDRUPIBYZMC-NSHDSACASA-N 332.853 1.623 0 40 EDAB C[C@@H](NC(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1)c1nncn1C 46939670 HIDDRRHEXFSJAP-LLVKDONJSA-N 342.403 1.349 0 40 EDAB COc1ccc(CN(C)C(=O)N[C@@H](C)c2nncn2C)cc1OC 46963975 DTNMJWIAQDYAQE-NSHDSACASA-N 333.392 1.735 0 40 EDAB CC(C)[C@H](CNC(=O)Cc1noc2ccccc12)N1CCOCC1 41871200 NOHSNXBRQOIBOL-INIZCTEOSA-N 331.416 1.843 0 40 EDAB COc1ccc2c(ccn2CCC(=O)N[C@H]2C=CS(=O)(=O)C2)c1 12324183 BXTDJTKYBGFAKR-ZDUSSCGKSA-N 334.397 1.467 0 40 EDAB CN1N=C(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CCC1=O 22678664 QLHATEMHUCCPAD-AWEZNQCLSA-N 332.404 1.531 0 40 EDAB CCS(=O)(=O)Nc1ccc(C(=O)NC2CCN(C)CC2)cc1 113943751 POWWHDPGFFHVQK-UHFFFAOYSA-N 325.434 1.272 0 40 EDAB COc1cc(CN(C(=O)NCCN2CCOCC2)C2CC2)ccc1O 55084009 QQCWDGMIEKKIMB-UHFFFAOYSA-N 349.431 1.407 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CCS(=O)(=O)C1 106669630 QZYQWPLTXXAVSY-CMPLNLGQSA-N 344.383 1.094 0 40 EDAB COc1cc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OCC(N)=O 106638183 UTAIOTGJYLIAIC-OBJOEFQTSA-N 332.400 1.725 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)CN2CCO[C@@H](CN(C)C)C2)cc1C 106787526 OEONNMTWTYKWAZ-AEFFLSMTSA-N 333.476 1.743 0 40 EDAB CN(C)c1ncccc1CNC(=O)NCc1nnc2n1CCCCC2 43779855 YJJCRRKDVMJSDM-UHFFFAOYSA-N 343.435 1.465 0 40 EDAB C[C@@H]1CCC[C@H]2CCCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)[C@@H]21 57102165 HQHZGTPBEBLGQA-TYNCELHUSA-N 339.461 1.713 0 40 EDAB CCN(Cc1ccco1)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 47929508 CAPLUTICFWOCPC-QWHCGFSZSA-N 328.434 1.136 0 40 EDAB O=C(C1=NO[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12)c1cccs1 100354900 JYZNJESGLCRSBP-RISCZKNCSA-N 326.333 1.875 0 40 EDAB O=S(=O)(NCc1ccccc1Cn1cncn1)N1CCCCCC1 26863185 ORWQWWNXVSCYFW-UHFFFAOYSA-N 349.460 1.537 0 40 EDAB Cc1cccc(NC(=O)CCNS(=O)(=O)Cc2ccccc2)n1 58190603 WGPNXFDQBLOLBN-UHFFFAOYSA-N 333.413 1.838 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O)C1CC1 58180703 NXXFOGXWUQGLRD-DYZYQPBXSA-N 333.363 1.507 0 40 EDAB CC(C)c1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n[nH]1 44851940 QQFCZTXGSXPCRA-UHFFFAOYSA-N 336.417 1.153 0 40 EDAB CC(=O)NCCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 27672304 FAQAYHMUWJLOEU-BQYQJAHWSA-N 343.427 1.191 0 40 EDAB CS(=O)(=O)c1ccc(OCCCC(=O)N2CCSCC2)cc1 58278935 BQSBHVADTICKEE-UHFFFAOYSA-N 343.470 1.825 0 40 EDAB CC(C)C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1cccs1 58291928 UOMPLPNHOWOWDJ-GFCCVEGCSA-N 349.460 1.945 0 40 EDAB C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1ccccc1Cl 44950048 MSBUCEAIOUJCDL-LLVKDONJSA-N 347.868 1.982 0 40 EDAB COc1ccc(OC)c(N2C[C@@H](C(=O)N3CCO[C@@H](C)C3)CC2=O)c1 44908721 WZGFRDMSFWGULK-STQMWFEESA-N 348.399 1.304 0 40 EDAB CCOCCCC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 58390963 HQFPDSARJHLKLP-UHFFFAOYSA-N 348.447 1.053 0 40 EDAB CC(C)(COC(=O)CN1CCCC1)COC(=O)CN1CCCC1 2294343 LALJIOHXLUTGRN-UHFFFAOYSA-N 326.437 1.291 0 40 EDAB Cc1ccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)s1 36397475 AQRBGXYVQBUZQQ-GHMZBOCLSA-N 346.474 1.225 0 40 EDAB COC(=O)c1cc(COC(=O)c2nc3nccc(C)n3n2)oc1C 3373048 JXCMOSOLCSVRKX-UHFFFAOYSA-N 330.300 1.478 0 40 EDAB C[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)cc1F 11010475 GVMFLPCEOASLAO-RKDXNWHRSA-N 347.339 1.270 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 48291064 WSECTXOFNJFXFK-AWEZNQCLSA-N 342.399 1.535 0 40 EDAB 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CC(C)n1nccc1C(=O)N1CCO[C@]2(CCCCN(C)C2=O)C1 2037985437 JUUXTWGYFKEGPB-QGZVFWFLSA-N 334.420 1.318 0 40 EDAB Cc1ncnc(C(=O)N2CC[C@H]3CN(Cc4cccnc4)C[C@H]32)c1C 1565552002 YRQJZCDPJNLVDT-DLBZAZTESA-N 337.427 1.835 0 40 EDAB COc1ccc(C(=O)N2C[C@H]3OCCN(C(C)C)[C@@H]3C2)c(OC)c1 1565551645 PYSFWGFEGRXEAQ-NVXWUHKLSA-N 334.416 1.637 0 40 EDAB O=S(=O)(NCc1nnnn1C1CCCCC1)c1cccs1 10594653 RBSPIZFIBDVZOV-UHFFFAOYSA-N 327.435 1.718 0 40 EDAB CN1C(=O)C[C@@H](N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C1=O 20478045 WVQOEYAXAXTOHS-LZUXJJCOSA-N 331.460 1.330 0 40 EDAB Cc1cc(OC2CN(C(=O)c3ccc4c(c3)OCO4)C2)cc(=O)o1 206957140 PDYXEONQWOIHEQ-UHFFFAOYSA-N 329.308 1.580 0 40 EDAB COc1ccc(CC(=O)N2CC[C@H](Oc3ncccn3)C2)cc1OC 575610741 OVZOMYFHEUEFMO-AWEZNQCLSA-N 343.383 1.716 0 40 EDAB O=C(NCCN1C(=O)COC1=O)c1cccc(Br)c1 575616908 QUDHRHUYQWKFHD-UHFFFAOYSA-N 327.134 1.158 0 40 EDAB Cc1nc(N2CCN([C@H]3CCCC[C@@H]3O)CC2)cc(-n2cccn2)n1 2298178979 HKPIAHBEPPQUGR-HOTGVXAUSA-N 342.447 1.396 0 40 EDAB O=C(c1csc(Nc2ncccn2)n1)N1CCC2(CC1)OCCO2 49032150 XPXGDUYBQBIGJW-UHFFFAOYSA-N 347.400 1.656 0 40 EDAB C[C@H]1CN(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cn2)C[C@@H](C)O1 30018595 DYPAXEWEIWVWOP-BETUJISGSA-N 346.431 1.033 0 40 EDAB Cc1csc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)n1 40145120 AVTPNIVAHCTOJO-UHFFFAOYSA-N 342.380 1.662 0 40 EDAB CS(=O)(=O)N1CCC(NCc2ccc(-n3ccnc3)cc2)CC1 30656565 VYMKDSABXVGFKG-UHFFFAOYSA-N 334.445 1.386 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(OC[C@H]2CCCO2)cc1 40534202 SOHPUHQEOSKXKQ-MSOLQXFVSA-N 346.427 1.872 0 40 EDAB COCCOc1ccc(CNC(=O)[C@@H]2COc3ccccc3C2)cn1 40541138 AWTFXDJFSBUVBK-INIZCTEOSA-N 342.395 1.974 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCC(CN2CCOCC2)CC1 40539536 XDSXNHBUTGBIFP-UHFFFAOYSA-N 328.416 1.747 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NC[C@@H]1CCCO1)=N[C@H]2[C@@H]1CC=CCC1 101264297 PDDQUYJKJXKOPI-IJEWVQPXSA-N 343.431 1.957 0 40 EDAB CNC(=O)Cn1cc(NC(=O)CN2c3ccccc3CC[C@@H]2C)cn1 51620342 MMHUHLPQLNTRMM-ZDUSSCGKSA-N 341.415 1.409 0 40 EDAB Cc1cc(C)n2nc(SCC(=O)Nc3nnc(C)s3)nc2n1 11611168 XRJDPGYWGSQYBZ-UHFFFAOYSA-N 335.418 1.632 0 40 EDAB O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cnsn1 75581880 POFVBJMXXCTXKI-UHFFFAOYSA-N 337.304 1.676 0 40 EDAB O=C(CNC(=O)c1ccccc1)OCN1C(=O)c2ccccc2C1=O 3101453 NWOHZIOJUBVDMQ-UHFFFAOYSA-N 338.319 1.213 0 40 EDAB CNC(=S)N(CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O 4132865 GFRHVZAYDCDVPU-UHFFFAOYSA-N 333.457 1.834 0 40 EDAB CCOc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OCC(=O)O 6892367 SUTDFODCQZJZEB-NOZJJQNGSA-N 327.358 1.337 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)NC1CCCCCC1 100466688 QJCXTFPFAWZWOQ-CNGUFQHNSA-N 342.439 1.879 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccccc2)cc1 8091281 CTFBASJOVRJMQD-UHFFFAOYSA-N 348.424 1.632 0 40 EDAB COc1ccc(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 41595617 MIVMAUVAVIFWGD-UHFFFAOYSA-N 346.427 1.335 0 40 EDAB CN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 53117669 GRANQNNHLNHQOF-KRWDZBQOSA-N 349.818 1.975 0 40 EDAB Cc1cc2nc([C@H](C)NC(=O)[C@@H](C)n3nccc3C)cc(O)n2n1 100217863 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EDAB NC(=O)C1CCN(C(=O)NCCc2cccc3cccnc23)CC1 55171182 DNUYEGKGWVPKJT-UHFFFAOYSA-N 326.400 1.684 0 40 EDAB O=C(NCc1nncn1C1CC1)[C@@H]1CCCN1Cc1ccccc1 78603830 OFORLFHRBDZEHF-INIZCTEOSA-N 325.416 1.894 0 40 EDAB Cc1cc2ccccc2n1CC(=O)N1CCCN(S(C)(=O)=O)CC1 24779134 TUJCKRNRPPHXNY-UHFFFAOYSA-N 349.456 1.444 0 40 EDAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C)n2)cc1 24829455 UUWZKSFLDCCUKM-UHFFFAOYSA-N 349.412 1.567 0 40 EDAB Cn1c(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc2ccccc21 78788436 GQJARHGBSIVIDX-FUHWJXTLSA-N 327.428 1.850 0 40 EDAB Cc1nc2ccccc2n1CCCNC(=O)N[C@@H]1CCCCNC1=O 43313216 ZFUMOTFWTKIQAI-OAHLLOKOSA-N 343.431 1.703 0 40 EDAB C[C@H](CN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1cnn(C)c1)Cn1cccn1 106839525 IPERONWWZGFTHG-NOLJZWGESA-N 345.403 1.317 0 40 EDAB CC[C@@H]1CN([C@H](C)C(=O)NCC2CCCCC2)CCN1C[C@H](C)O 106906636 YOBDMUMUENBDNC-LZLYRXPVSA-N 339.524 1.848 0 40 EDAB CC/N=c1\nc(NCC)nc2n1[C@](O)(c1ccc(C)cc1)CS2 102916274 PXGICKQNXWDTSL-MRXNPFEDSA-N 331.445 1.738 0 40 EDAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1 57265542 UQNXIQJTPVLHPC-UHFFFAOYSA-N 349.474 1.577 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cccc(C)c2C)CC1 57381160 SPLPAZIXCGKKRC-OAHLLOKOSA-N 332.448 1.660 0 40 EDAB NC(=O)c1ccc(OCC(=O)NCCn2cnc3ccccc32)cc1 58265877 UQMWLQPJOKEBRH-UHFFFAOYSA-N 338.367 1.330 0 40 EDAB O=C(NC1CC1)C1CCN(Cn2ncc3ccccc3c2=O)CC1 58247878 QWWOIRKBDRZLTF-UHFFFAOYSA-N 326.400 1.345 0 40 EDAB C[C@H]1CCCCN1[C@@H](C)CNC(=O)c1cccnc1N1CCOCC1 44952411 KAELVCMBLCSAMC-HOTGVXAUSA-N 346.475 1.911 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N2c3ccccc3C[C@@H]2C)on1 44909145 JPKXQCANWNVDKL-LBPRGKRZSA-N 334.397 1.876 0 40 EDAB O=C(COc1ccccc1)NCCCNC(=O)c1cccc(O)c1 58329110 AYHNGDOTFYVGOA-UHFFFAOYSA-N 328.368 1.707 0 40 EDAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCOCC2)C1=O 58357051 DCXIJYVETZJGJU-KRWDZBQOSA-N 331.372 1.302 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccccc1NS(=O)(=O)CC 58428712 UXEHPFUFYFWCRD-ZDUSSCGKSA-N 340.445 1.947 0 40 EDAB CS(=O)(=O)Nc1cccc(CNC(=O)c2n[nH]c3ccccc23)c1 10547326 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C[C@@H](N[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)C(=O)N1CCCC1 69739699 ARAZTKPLZSFXEK-UKRRQHHQSA-N 347.463 1.512 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)NCc3cc(C)on3)CC2=O)cc1 69738997 VPLCHOWGNFVSIB-CQSZACIVSA-N 343.383 1.657 0 40 EDAB COc1ccc(CN(C)C(=O)c2ccc(S(N)(=O)=O)c(C)c2)cc1 69815757 RREPGSZOWDDYKW-UHFFFAOYSA-N 348.424 1.923 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)COc2ccc(Cl)cc2)s1 13550455 NJLVNCZZPIBTAK-UHFFFAOYSA-N 347.805 1.613 0 40 EDAB O=C(Cn1nnc(-c2cccs2)n1)N1CCc2ccccc2C1 4183988 TWSRTYYHXLBOCX-UHFFFAOYSA-N 325.397 1.987 0 40 EDAB CN(C)C[C@@H]1CN(CC(=O)N(C)[C@@H]2CCCc3ccccc32)CCO1 69969635 FVHOKLPUSVEIOV-IEBWSBKVSA-N 345.487 1.785 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)Cc2coc(-c3cccs3)n2)CC1 69900020 ZTHWTBVNHNZMSO-AWEZNQCLSA-N 349.456 1.861 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)N1CCCN(Cc2nccn2C)CC1 69901824 HZMUPMMVCFNQGU-INIZCTEOSA-N 342.443 1.922 0 40 EDAB CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)NC(=O)NC(C)(C)C 8746164 VMGXSXHIHRFLGU-UHFFFAOYSA-N 349.387 1.851 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)n2)cc1 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O=C(CN1CCn2c(nnc2C2CC2)C1)N1CCO[C@H]2CCCC[C@@H]21 71880292 IJKUICYDMJGQAW-GJZGRUSLSA-N 345.447 1.141 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)CN1CCCC[C@@H]1Cn1cncn1 71876135 SWUPSHYECHXYLI-QGZVFWFLSA-N 345.422 1.930 0 40 EDAB CC(C)CN(Cc1ccno1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 71893059 LNGHWNDVHIJGRW-UHFFFAOYSA-N 335.408 1.425 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cc(C)nc3onc(C)c23)CC1 71880975 ZHFRKERTLWYDHK-ZDUSSCGKSA-N 332.404 1.368 0 40 EDAB CCn1cnnc1CCNS(=O)(=O)N1CCC[C@@H]1c1ccco1 83843658 SJPDFIOQDVOFQF-GFCCVEGCSA-N 339.421 1.105 0 40 EDAB CC(C)N(C)S(=O)(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 71909492 LAUFKHCOQYIKHM-AWEZNQCLSA-N 329.441 1.969 0 40 EDAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3nc(C)nn32)c1 9669343 JLSFBSMCSOBKNT-NSHDSACASA-N 331.332 1.126 0 40 EDAB COCCc1nnc(SCCN2CCCc3ccccc32)n1N 83912050 KBJDFNDMWJMEIZ-UHFFFAOYSA-N 333.461 1.726 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)NCCc1c[nH]c2ccc(F)cc12 97032190 YOOYMQFQZLJOQN-UHFFFAOYSA-N 341.408 1.247 0 40 EDAB Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC3CCOCC3)c2)cc1 78927072 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1.260 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)CCS(N)(=O)=O 79442986 SREVEIPEEDBUJH-HOCLYGCPSA-N 325.478 1.117 0 40 EDAB O=C1C[C@H](NCc2c[nH]nc2-c2cccnc2)CN1CC(F)(F)F 95990098 ILIFUYFHMZCHND-LBPRGKRZSA-N 339.321 1.725 0 40 EDAB COC(=O)[C@H]1CCCN1C(=O)CCn1cnc2c(C)cccc2c1=O 95947383 OZRWRZBHWNCJDT-CQSZACIVSA-N 343.383 1.259 0 40 EDAB C[C@@H](C(=O)N(Cc1ccccc1)C[C@H]1CCCO1)S(C)(=O)=O 89369018 AWXJYQBGJHICOE-DZGCQCFKSA-N 325.430 1.627 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1n[nH]c2ccccc12 89486715 JVUMIFFJHRPBCR-NSHDSACASA-N 336.417 1.107 0 40 EDAB Cc1cccc(/C=C/C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)c1 89668978 QEODKFVWTWEMCM-KXPUMZMLSA-N 338.411 1.972 0 40 EDAB O=C(Cc1cccs1)NC[C@H](O)CN1CCc2ccccc2C1 89861146 KGUVVBOBTCWIIK-INIZCTEOSA-N 330.453 1.826 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 89922176 ISKCJEXOZRIWKE-MJBXVCDLSA-N 333.436 1.348 0 40 EDAB Cn1ccc(C(=O)N2Cc3ccnn3[C@H](CN3CCCCC3)C2)n1 306125684 CXUSSGZUPUBCCY-OAHLLOKOSA-N 328.420 1.300 0 40 EDAB Nc1cc(=O)[nH]c(SCc2nnc(S)n2-c2ccccc2)n1 36644173 JNFUGXZVZCMBSE-UHFFFAOYSA-N 332.414 1.514 0 40 EDAB COc1cc(Br)cc(/C=C2/NC(=O)N(C)C2=O)c1O 409193783 MJQVUGKSQLPTFS-XBXARRHUSA-N 327.134 1.686 0 40 EDAB C[C@@H](c1ccsc1)N1CCN(C(=O)NCc2ncn(C)n2)CC1 127663620 DAAYUDNGIQYIEW-LBPRGKRZSA-N 334.449 1.465 0 40 EDAB COc1ccc(CN2CCN(c3nc(C(=O)O)co3)CC2)cc1F 514675085 LTZKJCNFHUVFPQ-UHFFFAOYSA-N 335.335 1.843 0 40 EDAB O=C1C=C(Nc2ccc(N3CCN(c4ccccc4)CC3)nc2)CN1 524734143 BDKUVHMKMBUXNW-UHFFFAOYSA-N 335.411 1.834 0 40 EDAB Cc1cc(CNC(=O)N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)ccc1F 1553425075 REGKLBVYKPVCJF-UKRRQHHQSA-N 331.395 1.504 0 40 EDAB Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2cnc3ccccn23)n[nH]1 1553981990 REXYBFYHGGTDFT-TZMCWYRMSA-N 340.387 1.406 0 40 EDAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)N1CCC[C@@H]1CO 121220325 FXCKGFPDXHEOJL-SECBINFHSA-N 334.269 1.766 0 40 EDAB CCNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 33660444 LKSRGZXGOSSZDH-UHFFFAOYSA-N 325.217 1.896 0 40 EDAB Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCCN3)nc2n(C)c1=O 72354419 ULFFTEDOELGQDV-VIFPVBQESA-N 342.321 1.466 0 40 EDAB O=C1N[C@@]2(O)C(=O)c3ccccc3[C@@]2(O)N1c1cccc(Cl)c1 39379195 ZYFGVOTWOJEPFK-CVEARBPZSA-N 330.727 1.600 0 40 EDAB C[C@H](NCC(=O)NC1CCOCC1)c1cccc(-n2ccnc2)c1 189895112 QSBZYKFATHFWNB-AWEZNQCLSA-N 328.416 1.818 0 40 EDAB CNC(=O)CCOc1ccc(NC(=O)N[C@H](C)[C@H]2CCCO2)cc1 78550583 NFJUJPIFPRKWMA-IUODEOHRSA-N 335.404 1.891 0 40 EDAB CN(C(=O)CC1(O)CCCCC1)[C@H]1CCN(CC(F)(F)F)C1=O 73613289 XYFCWLHCJLHQKX-NSHDSACASA-N 336.354 1.693 0 40 EDAB O=C(CCCNC(=O)c1cnccn1)Nc1nc2c(s1)CCC2 72404896 OKIFZCKSBFWDHV-UHFFFAOYSA-N 331.401 1.571 0 40 EDAB CC(C)C[C@H]1COCCN1C(=O)NCCCCN1CCN(C)CC1 79306007 HRMCPAYQMJIBEO-KRWDZBQOSA-N 340.512 1.471 0 40 EDAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1c1cc(C)ncn1 72361514 DRUYRZUBJYLOAI-MRXNPFEDSA-N 325.416 1.222 0 40 EDAB O=C(NCCN1CCOCC1)c1ccc(Br)cc1O 44490461 RFMJRXCDXNHYBE-UHFFFAOYSA-N 329.194 1.217 0 40 EDAB Cc1nc(CN2CCC[C@@](C)(c3[nH]ncc3C(=O)N(C)C)C2)no1 72388749 PQBOCORDGXPCFF-MRXNPFEDSA-N 332.408 1.357 0 40 EDAB O=C(NCCn1cnc2ccsc2c1=O)c1cc(C2CC2)n[nH]1 225775994 QGSNSWWKZJUCJO-UHFFFAOYSA-N 329.385 1.489 0 40 EDAB Cn1nnc2c(C(=O)N[C@H](c3nccs3)C(F)(F)F)ccnc21 567382442 XIGGYZQSWREDAO-MRVPVSSYSA-N 342.306 1.853 0 40 EDAB C[C@H](CCS(C)(=O)=O)NC(=O)NCCc1cccc2[nH]ccc12 225696548 LQWQNTMRPICTFG-GFCCVEGCSA-N 337.445 1.833 0 40 EDAB CN1CCN(C(=O)COc2nn(-c3ccccc3)cc2Cl)CC1 227151970 YLRQUXGTHWQXQY-UHFFFAOYSA-N 334.807 1.679 0 40 EDAB COC(=O)C1CCN(C(=O)c2nnc3ccc(Cl)cc3n2)CC1 46088517 JZUCGTYOGBAAET-UHFFFAOYSA-N 334.763 1.703 0 40 EDAB CS(=O)(=O)c1cccc(N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 81084183 XVRQGEAUOLXAOF-LLVKDONJSA-N 336.335 1.665 0 40 EDAB Cc1ccc(CCNC(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)o1 223240427 GMTVGZRPALWRME-ZDUSSCGKSA-N 341.371 1.690 0 40 EDAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CCN(C)S3(=O)=O)cc1OC 225953258 KBVNOPOAQGRCNV-ZUZCIYMTSA-N 340.401 1.066 0 40 EDAB Cn1ncc2c1C[C@@H](C(=O)N1CCN(c3cncc(F)c3)CC1)CC2 581320223 XFLKWYMYPBGZDG-ZDUSSCGKSA-N 343.406 1.408 0 40 EDAB Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc(C)s3)C2)nn1 225431656 SHSUFLPTODHAGL-LBPRGKRZSA-N 339.442 1.997 0 40 EDAB O=C(N1CC[C@@](O)(c2cnn[nH]2)C1)C1(Cc2ccccc2F)CC1 583618832 QBLULRBHCNHZPU-KRWDZBQOSA-N 330.363 1.387 0 40 EDAB CC[C@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1N1CCOCC1 333210085 TVPWSWNFQXZFHP-XJKSGUPXSA-N 330.432 1.537 0 40 EDAB CCCS(=O)(=O)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 96186753 IXZQSYFPBDLJOI-PMPSAXMXSA-N 340.445 1.822 0 40 EDAB C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CCO1 96403678 ILKWYHCMFNXCCN-VIFPVBQESA-N 334.344 1.936 0 40 EDAB O=C(Cc1ccccn1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 96185065 SOGRBOLGJOROTI-KSZLIROESA-N 339.395 1.462 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)c1ccc(Cn3cccn3)o1)CC2 97198507 KPFJTVSEZQNNJZ-GFCCVEGCSA-N 340.387 1.423 0 40 EDAB Cc1ccc(CN2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)o1 96064488 BGMIKQWZYFOQPI-DJIMGWMZSA-N 334.416 1.836 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccsc2)Cc2ncn(C)c21 96044866 SJBZHOVYAHNARS-AWEZNQCLSA-N 348.472 1.686 0 40 EDAB CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1cc(C(=O)O)n[nH]1 1589231599 WAQZJSQJPNFPGD-UHFFFAOYSA-N 334.298 1.207 0 40 EDAB Cc1ccsc1CN1CC[C@]2(C[C@H](OCC(=O)N(C)C)CO2)C1 96107588 JIPKXAKLEYEEBN-YOEHRIQHSA-N 338.473 1.895 0 40 EDAB COCCCN(Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 96424203 GGHRALPHQVAACG-CYBMUJFWSA-N 332.491 1.786 0 40 EDAB O=C(Cc1cccnc1)N1CCC2(CCN(C[C@H]3CCOC3)CC2)C1 96157521 JHSJACKQQAYDMT-GOSISDBHSA-N 343.471 1.975 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCc2c[nH]nc2C1 332911797 KDTYNJDUULJBEN-NWDGAFQWSA-N 329.408 1.255 0 40 EDAB Cn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)c1cccnc1)C2 96060120 HFRAKYOBANGJQE-MRXNPFEDSA-N 326.400 1.981 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@@H]2[C@H](COc3ncccn3)CC[C@@H]21 248101933 FAQNIWTXADGTDE-OFQRWUPVSA-N 342.399 1.514 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257216425 CUMOSTZHLSMGON-OAHLLOKOSA-N 341.415 1.909 0 40 EDAB CC1CN(C(=O)[C@H](NC(=O)c2cc(Cl)ccc2Cl)[C@H](C)O)C1 585135691 XAHDYYUDHMAMCQ-TVQRCGJNSA-N 345.226 1.951 0 40 EDAB COC(=O)[C@H]1CC12CCN(S(=O)(=O)CC1(OC)CCCC1)CC2 585115574 IPIIEHDCUVDBSX-CYBMUJFWSA-N 345.461 1.551 0 40 EDAB C[C@]1(c2ccccc2)CN(C(=O)C2CN(C3CCOCC3)C2)CCO1 585132398 VPKWKAJJASRWLL-HXUWFJFHSA-N 344.455 1.871 0 40 EDAB CN1CCN(C(=O)CCN2CCC(OCC3CCCC3)CC2)CC1 252500332 SSJVENOKWBVGEM-UHFFFAOYSA-N 337.508 1.822 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CCCC2=O)[C@H](c2ccccc2)C1 257228887 FVSKNRBMEFXTRJ-INIZCTEOSA-N 329.400 1.041 0 40 EDAB O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257234594 GUGQABLMBCZDIE-HOTGVXAUSA-N 338.835 1.638 0 40 EDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1nccs1 42758957 PHXNITVFTCNPQX-VXGBXAGGSA-N 326.422 1.002 0 40 EDAB CNc1cncc(C[C@@H]2COCCN(Cc3cccnc3NC)C2)n1 257340618 ZGWYXEIHALMISP-AWEZNQCLSA-N 342.447 1.646 0 40 EDAB Cc1nc(CC(=O)N2CCC[C@H](Cc3nccnc3N)C2)cs1 257320532 VXFNOAFJHHHLEK-GFCCVEGCSA-N 331.445 1.848 0 40 EDAB C[C@@H](NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1)C(=O)O 262831609 BIHGFLQMGZNMGD-WBMYTEFPSA-N 332.356 1.396 0 40 EDAB C[C@@]1(NC(=O)Cn2ncc3ccccc3c2=O)CCCC[C@@H]1C(=O)O 262831226 QHRUGLYIJJKZPK-RDTXWAMCSA-N 343.383 1.546 0 40 EDAB CC(C)(NC(=O)c1ccc(S(C)(=O)=O)s1)[C@H](O)C(F)(F)F 1615547440 IFDPYULPXMAYIS-VIFPVBQESA-N 345.364 1.583 0 40 EDAB CCOC(=O)CCNS(=O)(=O)CC1(C(C)(F)F)CCOCC1 1615585612 JPFHLUKNHXPVNU-UHFFFAOYSA-N 343.392 1.311 0 40 EDAB CN(C)Cc1ccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)cn1 1615621909 ANLVOBLCWIAESU-AWEZNQCLSA-N 331.338 1.673 0 40 EDAB O=C(CN1C(=O)CCC1=O)NCC[C@H](O)c1cc2ccccc2o1 96097212 YQHJZSYATMYJFA-LBPRGKRZSA-N 330.340 1.122 0 40 EDAB CC(=O)N1CCc2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc21 96025685 FNFLDCXYAOTEHT-UHFFFAOYSA-N 348.428 1.747 0 40 EDAB O=C(C1CC(F)C1)N1C[C@H]2CCN(Cc3cccnc3)C(=O)[C@@H]2C1 585107860 WAANGLUKVBYWBF-PRLABOORSA-N 331.391 1.637 0 40 EDAB CO[C@@]1(COc2ccccc2)CCN(C(=O)c2cnc(C)nc2O)C1 585277522 WBQYTWKWSHRDGF-SFHVURJKSA-N 343.383 1.801 0 40 EDAB O=C(NCCN1CCN(c2ccccc2)CC1)NC[C@@H]1CCCO1 47580100 GLSZOCWMJGYGJJ-KRWDZBQOSA-N 332.448 1.287 0 40 EDAB CCc1nc(C)c(C(=O)N2CCN(CCN3CCCC3)CC2)s1 51468297 STQUAHSMGNLLOR-UHFFFAOYSA-N 336.505 1.868 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)CCc1ccc2c(c1)OCO2 58014524 OFQKWOQACGFHNJ-UHFFFAOYSA-N 336.388 1.989 0 40 EDAB C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)N1CCOCC1 66934546 WVNSWBDDWFPNHI-ZFWWWQNUSA-N 326.418 1.025 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2ccccc2SCC(N)=O)cn1 68235739 KETVFRXJQCMPIO-NEPJUHHUSA-N 330.413 1.740 0 40 EDAB CCN1CCN(C2CCN([C@@H](C(N)=O)c3ccc(F)cc3)CC2)C1=O 69512756 YZROJCPZOVNIBE-MRXNPFEDSA-N 348.422 1.574 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CCN(C3CCOCC3)CC2)cc1 81037252 OJLVVAZEGBOSIA-UHFFFAOYSA-N 331.416 1.582 0 40 EDAB COc1ccnc(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)n1 269936351 FHGKXRNWJLAFBD-UHFFFAOYSA-N 340.309 1.621 0 40 EDAB CC(C)CNC(=O)CN1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 89840237 LZIANJGBKPCCPD-QZTJIDSGSA-N 331.460 1.344 0 40 EDAB CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(OC)cc1 5120167 NBZBTOPTUBYTNB-UHFFFAOYSA-N 328.434 1.621 0 40 EDAB O=S(=O)(N1CCCC1)N1C[C@@H](c2cc[nH]n2)[C@H](c2ccccc2)C1 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CC(C)NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O 40266410 MVSPDMOMFXWSBW-UHFFFAOYSA-N 341.414 1.011 0 40 EDAB CN(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2cn[nH]c2)c1 40443296 HEHMCULWYHAZJH-UHFFFAOYSA-N 328.781 1.566 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)CN2CCN(C(C)=O)CC2)cc1 51152419 NETLEYMGRPSJEH-GOSISDBHSA-N 345.443 1.523 0 40 EDAB O=S(=O)(c1ccc(F)cc1F)N1CCCC[C@@H]1C1OCCO1 60348847 MHUPCOIZECKPKQ-GFCCVEGCSA-N 333.356 1.881 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)CC)cc1 3342528 ONTBVXONFCSGDK-LBPRGKRZSA-N 328.434 1.668 0 40 EDAB CCCc1ccc(N2C[C@H](C(=O)Nn3cnnc3S)CC2=O)cc1 32795823 ZEKKPLVUIAJIMR-GFCCVEGCSA-N 345.428 1.643 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)N[C@@H](C)C(C)C 7292483 IVYCCJQHEINHQU-LBPRGKRZSA-N 330.388 1.893 0 40 EDAB C[C@H](O)CN1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 69810307 FPHVVDQMYKMXSZ-GJZGRUSLSA-N 337.439 1.171 0 40 EDAB COCCNC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10326202 HGYKIDRQRPOMHJ-CYBMUJFWSA-N 328.434 1.221 0 40 EDAB COC(=O)N1CCC(N2C(=O)[C@H](CCSC)NC2=S)CC1 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Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(C)(=O)=O)c2)cn1 24131502 BUEQIKCEACLUOB-UHFFFAOYSA-N 348.380 1.589 0 40 EDAB COc1ccccc1OCCN1CCO[C@H](CNc2cccnn2)C1 76049867 UBACNJHNCAOFGD-OAHLLOKOSA-N 344.415 1.677 0 40 EDAB Cc1cc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c(C)o1 54916124 UAAHKAOKIMQBGX-UHFFFAOYSA-N 341.411 1.975 0 40 EDAB C[C@@H]1COCCN1C(=O)NC[C@H](c1cccs1)N1CCOCC1 43099819 BAPJXMIEOXVCBV-ZIAGYGMSSA-N 339.461 1.552 0 40 EDAB CC(=O)NCCNC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 43140753 SSTNIDMKGUJORH-CYBMUJFWSA-N 330.388 1.853 0 40 EDAB CC(C)(C)c1noc(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)n1 76696590 NVONGLNHZGFTTJ-INIZCTEOSA-N 329.360 1.729 0 40 EDAB COCCCn1c(=C(C#N)C#N)s/c(=C\c2cccs2)c1=O 78288904 PSDSPUUVXREBJT-JYRVWZFOSA-N 331.422 1.034 0 40 EDAB Cn1cnnc1SCC(=O)Nc1cc(Cl)ccc1C(=O)O 3272781 GMTRIKUDLJFBHZ-UHFFFAOYSA-N 326.765 1.898 0 40 EDAB CN(CC(=O)N1CCC[C@@H]1c1ccsc1)[C@H]1CCS(=O)(=O)C1 106824125 XRSPUWQBRUHHCU-UONOGXRCSA-N 342.486 1.531 0 40 EDAB Cc1nc(CN2CCC[C@H](N[C@@H](C(N)=O)c3ccccc3)C2)no1 106868454 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O=C(NCCCn1cccn1)N[C@H]1CCCN(c2ncccn2)C1 44968431 DIPCPZGLHGNPIN-AWEZNQCLSA-N 329.408 1.031 0 40 EDAB Cc1nc(CN2CCN(C(=O)NCCc3cnn(C)c3)CC2)cs1 44971153 QQMWENBPVQYQOB-UHFFFAOYSA-N 348.476 1.255 0 40 EDAB CN(CC(=O)NCCc1ccccc1Cl)c1ncnc2[nH]cnc12 58327963 RJOSYSPXZUNNCY-UHFFFAOYSA-N 344.806 1.801 0 40 EDAB Cc1cc(NC(=O)COC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)no1 10947620 TVWJIVXXWQEQQL-ZUZCIYMTSA-N 332.312 1.693 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1(c2ccc(F)cc2)CC1 48300901 GLFHJJBOCNYHQA-CQSZACIVSA-N 340.420 1.398 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)[C@@H](C)CO1 45449080 QTZQWAMNSZEQIU-KBPBESRZSA-N 327.384 1.541 0 40 EDAB CS(=O)(=O)Nc1ccccc1CNC(=O)NCc1ccc(O)cc1 45530140 VDIRHSYYBCQHDN-UHFFFAOYSA-N 349.412 1.763 0 40 EDAB CCOCCCNC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 409132708 QXXADGMCUQNVCW-UHFFFAOYSA-N 342.461 1.612 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)CCc2cccc(Cl)c2)[nH]1 69386120 DTMYCCUCMIXVLI-UHFFFAOYSA-N 328.781 1.433 0 40 EDAB Cn1cccc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 12979316 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Cc1c(C(=O)N[C@H]2CCc3nccn3C2)sc2ncn(C)c(=O)c12 65512218 FUGMCTPCMZJNAJ-JTQLQIEISA-N 343.412 1.245 0 40 EDAB O=C(CCNC(=O)c1ccccc1)NC[C@@H]1COc2ccccc2O1 14140262 GROUEECGJPKZIV-OAHLLOKOSA-N 340.379 1.763 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)ccc1=O 69620377 OXTNWYNIVCYJRW-OAHLLOKOSA-N 330.388 1.206 0 40 EDAB O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1F 69700459 FHWPHCDQPMPXSK-HQJQHLMTSA-N 337.294 1.994 0 40 EDAB Cn1ccnc1SCc1ccc(C(=O)NCC[S@](C)=O)o1 69700630 SGJKWJJPHWNEIX-OAQYLSRUSA-N 327.431 1.414 0 40 EDAB C[C@@H](NC(=O)c1ccc(N2CCCC2)c(F)c1)C(=O)N1CCOCC1 69739992 WLQGBMIDRIBFHF-CYBMUJFWSA-N 349.406 1.403 0 40 EDAB CC1CCN(C[C@H](O)CN2CCN(C[C@H](O)C(C)(C)C)CC2)CC1 69776625 UWQLVHOFPRUKKO-ROUUACIJSA-N 341.540 1.104 0 40 EDAB O=S1(=O)C[C@H]2NC(=S)N(c3ccc(Br)cc3)[C@@H]2C1 6719355 WPOMZPKAPJRDOQ-NXEZZACHSA-N 347.259 1.309 0 40 EDAB Cn1nc(C(F)(F)F)cc1C(=O)N1N=CC[C@]1(O)C(F)(F)F 6925464 VGYUHEKMPLRNLR-QMMMGPOBSA-N 330.188 1.522 0 40 EDAB COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)c1cccn1C 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340.221 1.907 0 40 EDAB COc1c([C@H]2CCCN2CC(=O)Nc2cccnc2)c(C)nn1C 72253818 YXRDBKPUUXRMBR-CQSZACIVSA-N 329.404 1.908 0 40 EDAB CCn1cc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)O)cn1 72270980 PGOMDWYOHAEXGO-UHFFFAOYSA-N 331.300 1.680 0 40 EDAB CCc1nnc2n1C[C@H](N[C@@H](C)C(=O)NCc1cccs1)CC2 97199536 UBBVNTMYCPQLPL-NWDGAFQWSA-N 333.461 1.511 0 40 EDAB COC(=O)c1ccc(NC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)cc1 95458161 CYRCZGBUWVTXAF-YOEHRIQHSA-N 334.372 1.933 0 40 EDAB CN(C)c1ccc(CN2CCC[C@@H]2C(=O)N2CCSCC2)cn1 95982833 KEHWQXSFNNNKMH-OAHLLOKOSA-N 334.489 1.687 0 40 EDAB O=C(NC[C@H](O)Cc1ccccc1)[C@@H]1CCCN1c1nccs1 95966549 ZWUBBJTVOKVXRI-CABCVRRESA-N 331.441 1.832 0 40 EDAB Cc1cccc2nc(CN3CCC[C@@H](Cn4ccnn4)C3)cc(=O)n12 95973129 QTSMFXQSIBKWQQ-OAHLLOKOSA-N 338.415 1.507 0 40 EDAB Cn1cc(C[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C2)cn1 95963003 XCNUWYUCHWOGCX-YOEHRIQHSA-N 344.459 1.460 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N[C@H](C(=O)O)C(C)C)n1 95960574 JQPAKJOFYCZFNP-JTQLQIEISA-N 328.800 1.815 0 40 EDAB COC(=O)C1CCN(CCCNC(=O)Cc2ccccc2OC)CC1 89473608 KUBAVANGCRMJRC-UHFFFAOYSA-N 348.443 1.629 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)CNC(=O)Cc2cccc(F)c2)C1(C)C 75143500 PDCGITFZTFAGSF-CABCVRRESA-N 336.407 1.804 0 40 EDAB CN1CCN(C2CCN(Cc3nc(-c4ccccn4)no3)CC2)C1=O 75132923 CSOZCYYZECCPGV-UHFFFAOYSA-N 342.403 1.463 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)cn1 89756576 PRLUVRKAPKQVPV-AAEUAGOBSA-N 325.390 1.290 0 40 EDAB COc1ccc(OC)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409375953 RIORPRRFYXXRIS-UMPJEAMMSA-N 333.340 1.687 0 40 EDAB C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@@H]12 4058830 LTJAGZKGLNGMHB-WFXMFSGNSA-N 340.379 1.356 0 40 EDAB CCNC(=O)c1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 408697498 JWKKVSFSLSLANI-UHFFFAOYSA-N 326.418 1.620 0 40 EDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc(Cl)c1 547559061 YRVFRLDIOWMAAT-CABZTGNLSA-N 333.793 1.498 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](CCSC)C(=O)O)c1 35686140 XTEAHTVUHGSREL-JTQLQIEISA-N 349.430 1.188 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)NCC[C@@H](O)c1ccco1 72242644 GIVINRKPONDLEC-GFCCVEGCSA-N 325.386 1.999 0 40 EDAB COCCN1[C@@H](C)CN(C(=O)c2ccccc2-n2ccnn2)C[C@H]1C 183740503 XNTICIYCKYEGGK-GASCZTMLSA-N 343.431 1.449 0 40 EDAB O=C(c1cccnn1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2ncccn2)C1 1048488703 MEANSAYODYQOJE-AYDFFVQHSA-N 336.399 1.254 0 40 EDAB Cc1cccc(N2C(=O)CN(C3CCCC3)[C@H]3CS(=O)(=O)C[C@H]32)c1 36080490 KSOHZFLKLIKGCI-DLBZAZTESA-N 348.468 1.752 0 40 EDAB CN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 72237877 ORLQGGPFVRPZQW-SJORKVTESA-N 328.368 1.837 0 40 EDAB C[C@H]([C@@H](O)c1cc2c(cc1Br)OCO2)N1CCOCC1 31624116 BVFGPUFWKJHUEU-YMTOWFKASA-N 344.205 1.932 0 40 EDAB CN(C)CCn1nc([C@@H]2CCN(C(=O)C(C)(C)C)C2)c2nccnc21 72391685 PPVXZDVVQPUDAT-CYBMUJFWSA-N 344.463 1.750 0 40 EDAB C[C@H]1[C@@H](C)OCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1 566176358 HWQGSUNBOKOYKO-DTWKUNHWSA-N 333.793 1.836 0 40 EDAB CN1CCC[C@H](c2ccnc(C(=O)N3CCC(C(N)=O)CC3)c2)C1 72387217 DLFXPHBDWDRDIG-HNNXBMFYSA-N 330.432 1.228 0 40 EDAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NC2CCCC2)cc1 40288409 NFKXKXNVWBTGFE-UHFFFAOYSA-N 340.383 1.648 0 40 EDAB CC(C)c1nccn1CCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 74034374 CHIBLMOFVKOJTH-HUUCEWRRSA-N 332.448 1.723 0 40 EDAB C[C@H](NC(=O)COc1ccc2ncn(C)c(=O)c2c1)c1ccco1 225451221 IGJJGYSDVNOCAU-NSHDSACASA-N 327.340 1.783 0 40 EDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1 222247853 JMJGZKPJQVBIJM-MOROJQBDSA-N 327.336 1.696 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)c1cccc(C)c1 41097744 VWFVYIUYTNRDRJ-OAHLLOKOSA-N 334.416 1.819 0 40 EDAB Cc1cnc(C(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)cn1 225636746 GOKHSERFZJOHMF-CQSZACIVSA-N 340.339 1.235 0 40 EDAB O=C(c1nnn(-c2ccc(Cl)cc2)n1)N1CCC2(CC1)OCCO2 75163618 JVHLYZWLWHZRBS-UHFFFAOYSA-N 349.778 1.295 0 40 EDAB C[C@@H](Nc1cc(N2CCOCC2)ncn1)[C@H](O)Cc1ccccc1 225482279 UOGRNLRWOFNCPD-GDBMZVCRSA-N 328.416 1.717 0 40 EDAB CC(C)CC(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224327757 RXQMDQBVYXKXBO-UHFFFAOYSA-N 333.436 1.008 0 40 EDAB O=S(=O)(N[C@H]1C[C@H](c2ccc(F)c(Cl)c2)C1)N1CCOCC1 575603114 AGMPHZHDUPRDFA-HAQNSBGRSA-N 348.827 1.892 0 40 EDAB O=C(c1ccsc1)N1CCn2cc(CN3CCOCC3)nc2C1 96197290 GBZRZDFXFJWUIK-UHFFFAOYSA-N 332.429 1.433 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1cccnc1 96041730 HKKSYCHNJIXMMS-GVDBMIGSSA-N 340.383 1.460 0 40 EDAB Cc1ncoc1C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96108981 RRPNVBXMDCKURA-CRAIPNDOSA-N 343.383 1.683 0 40 EDAB COCCCNC(=O)c1ccc2ccc(N3CCN(C)CC3)n2c1 96038362 VWSZCTJBIUHZOT-UHFFFAOYSA-N 330.432 1.457 0 40 EDAB Cc1ccc(CN2CCC[C@]3(COCCN(Cc4c[nH]nn4)C3)C2)o1 96049502 KIQFGRWPRHMOCU-SFHVURJKSA-N 345.447 1.821 0 40 EDAB CC(C)C(=O)N1CCN(Cc2cccs2)C[C@@]2(CC(=O)N(C)C2)C1 97952744 PEFFPHAECLPPDW-SFHVURJKSA-N 349.500 1.897 0 40 EDAB Cc1nnc(NC[C@H]2CO[C@@]3(COCCN(Cc4ccco4)C3)C2)o1 96240587 AMBVFMFBNRANQC-YOEHRIQHSA-N 348.403 1.691 0 40 EDAB CN(C)S(=O)(=O)N1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 96109242 XEGNWUTYEDMVEJ-HIFRSBDPSA-N 325.434 1.369 0 40 EDAB CS(=O)(=O)C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 96098196 BCBGRVZGJXLVGL-UHFFFAOYSA-N 334.397 1.991 0 40 EDAB CN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)C1=O 96415492 PWKNQVZTINIEMX-AAEUAGOBSA-N 338.358 1.073 0 40 EDAB CCOC[C@H]1CN(C(=O)COc2ccccc2)Cc2nnn(C)c21 96198520 GSRCGQLCZMAVLD-CYBMUJFWSA-N 330.388 1.356 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCC2)CC1 333713336 ISFJQYOCNWAWGP-JSGCOSHPSA-N 329.466 1.146 0 40 EDAB CN(C)c1ncc2c(n1)[C@@]1(CCN(C(=O)CC(C)(C)C)C1)COC2 96244054 RHYKMUOQBDAQQR-GOSISDBHSA-N 332.448 1.979 0 40 EDAB COCCNC(=O)[C@@H]1CCC2(CCN(Cc3ccc(C)o3)CC2)O1 96109925 MXGBPCPOKZMIOW-INIZCTEOSA-N 336.432 1.864 0 40 EDAB Cn1cccc1C(=O)N1CCC2(CC1)C[C@@H](c1cccnc1)C(=O)N2 96199470 WRVQEJDVGWXMBQ-HNNXBMFYSA-N 338.411 1.699 0 40 EDAB Cc1cc(CNc2ccc3nnc(C)n3n2)ccc1S(C)(=O)=O 96468181 ZSPDMQXOANUTQX-UHFFFAOYSA-N 331.401 1.757 0 40 EDAB Cc1ncsc1CN1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCC2)C1 97953840 RSVGCRCRZQLNHO-SOUVJXGZSA-N 335.473 1.911 0 40 EDAB Cc1cnc(N2CCC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)nc1 96224655 VWPLOMOIXSZXSH-QGZVFWFLSA-N 326.404 1.542 0 40 EDAB O=C(NCC1CC1)[C@@H]1C[C@H]2OCCN(C(=O)c3ccccc3)[C@@H]2C1 96251675 ZXVBEEPJOQFKPJ-GVDBMIGSSA-N 328.412 1.832 0 40 EDAB COC(=O)[C@H](c1cccc(Br)c1)N1CCNC(=O)CC1 96487654 LXFUNDAYCGBMKM-ZDUSSCGKSA-N 341.205 1.485 0 40 EDAB COC[C@H]1CN(S(=O)(=O)c2ccccc2F)Cc2cncn2C1 96207182 XZJDSSKPXOYQBX-GFCCVEGCSA-N 339.392 1.489 0 40 EDAB CN1C[C@H](NC(=O)NCc2ccc(Br)cc2)CCC1=O 96415488 NNZGEEOTVKUIFU-GFCCVEGCSA-N 340.221 1.869 0 40 EDAB O=C(c1ccncn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1cccnc1 96041737 UHBZJGMTCSBWNU-GVDBMIGSSA-N 340.383 1.460 0 40 EDAB O=C(NCc1cccs1)[C@H]1CN(c2ncccn2)Cc2ccnn21 247477998 HYFRRVMLUJAINE-CQSZACIVSA-N 340.412 1.612 0 40 EDAB COc1ncccc1CN1Cc2cncn2[C@H](C(=O)NC(C)C)C1 247984741 IHSZFCDZWNHQIJ-HNNXBMFYSA-N 329.404 1.368 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc3oc(C)cc3c2)C1 257211644 BZRTUZRCGWUHDM-OAHLLOKOSA-N 329.400 1.491 0 40 EDAB CS[C@H]1CCC[C@H](NC(=O)NCC2(OCCO)CCOCC2)C1 252504798 VLRHNXCEXFVEBZ-KBPBESRZSA-N 346.493 1.518 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@H](OC)[C@]3(CCCO3)C2)cc1 257291761 QIMUQRYTIMLLHQ-GJZGRUSLSA-N 327.402 1.264 0 40 EDAB CNC(=O)[C@@]1(C)CN(Cc2cccc(Br)c2)CCO1 257219662 DHPLVDAFPRQVJY-CQSZACIVSA-N 327.222 1.786 0 40 EDAB Cc1cc([C@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)nc(C)n1 257272426 NCJFVQASZBPRBN-MRXNPFEDSA-N 346.431 1.396 0 40 EDAB COCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257269649 MQUCFZAFICAVKE-QRDCCXFBSA-N 343.427 1.737 0 40 EDAB O=C(CCc1cccnc1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257238241 HKCHZSFFEMTYKW-INIZCTEOSA-N 342.399 1.370 0 40 EDAB COCCOc1cccc(C(=O)NCc2ccnc(C(=O)OC)c2)c1 585131542 YQSYNDHYOBOLTL-UHFFFAOYSA-N 344.367 1.823 0 40 EDAB CO[C@]1(C(=O)O)CCN(C(=O)c2cccc(Nc3cnccn3)c2)C1 1599075920 WSHWFXFAHFSIOX-QGZVFWFLSA-N 342.355 1.536 0 40 EDAB Cn1cnc(C(=O)N2CCOC[C@H](Cc3ccc4[nH]ncc4c3)C2)c1 257273951 NIXHPKVBHYVOTH-CQSZACIVSA-N 339.399 1.628 0 40 EDAB CCc1cc(C(=O)NC[C@@]2(O)CCN(c3ccc(F)cn3)C2)no1 257333461 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O=c1n(CN(C[C@H]2CCCO2)C[C@H]2CCCO2)nc2ccccn12 54520426 NUCKVQMMTABWJT-HUUCEWRRSA-N 332.404 1.114 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCNc2cnccn2)c(C)c1 58344281 CCRZMXOEHWCKOD-UHFFFAOYSA-N 336.417 1.574 0 40 EDAB Cc1ccn2cc(CNS(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)nc2c1 58420943 CMNZBHKXMAHSSX-ZIAGYGMSSA-N 336.461 1.955 0 40 EDAB CC(C)Cc1noc(CS(=O)(=O)CC(=O)NC2CCCCC2)n1 58606957 FLFAOWPAGDUDFN-UHFFFAOYSA-N 343.449 1.632 0 40 EDAB NC(=O)c1ccc([C@@H]2CN(CCOc3ccccc3)CCO2)nc1 72388117 XYWDORUECGPXJJ-KRWDZBQOSA-N 327.384 1.633 0 40 EDAB CCc1ccsc1C(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 69900921 LQLPHPHGNITROH-UHFFFAOYSA-N 349.456 1.217 0 40 EDAB Cc1ccn2cc(C(=O)N3CCC(N4CCO[C@H](C)C4)CC3)nc2c1 71821644 GBZUGMZPLSSEHA-OAHLLOKOSA-N 342.443 1.968 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N1CC[C@@](O)(C(F)(F)F)C1 72294412 CNSXOVODCDRXMF-LBPRGKRZSA-N 343.367 1.260 0 40 EDAB CCNC(=O)NC(=O)CN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 75126671 NRNYQLIICPMUTP-LBPRGKRZSA-N 342.440 1.163 0 40 EDAB Oc1nncc(N2CC[C@@H](OCCN3CCCCC3)C2)c1Cl 95974194 YVNMZEJVCCGXBN-GFCCVEGCSA-N 326.828 1.917 0 40 EDAB O=C(c1ccccn1)N1CCCc2cnc(N3CCOCC3)nc21 675007596 SGWWWLYZYCEZEJ-UHFFFAOYSA-N 325.372 1.301 0 40 EDAB COc1ccc(Br)c(C(=O)N2CC(n3nccn3)C2)c1 952964700 MMKXWDZZIRBXGT-UHFFFAOYSA-N 337.177 1.746 0 40 EDAB CO[C@@H](CS(=O)(=O)Nc1ccc2ncnc(O)c2c1)C(C)C 1615587688 JASXPEQCVDKOME-ZDUSSCGKSA-N 325.390 1.748 0 40 EDAB CSc1ccc(NC(=O)N(C)N2CCS(=O)(=O)CC2)cc1 1615585455 GVYAIANUYIYQAT-UHFFFAOYSA-N 329.447 1.518 0 40 EDAB Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cn(C)nn1)CCC2 1615606123 SARAMMWWTTUSKT-JTQLQIEISA-N 327.435 1.278 0 40 EDAB COC(=O)c1cc(F)cc(C(=O)NCC2(C(=O)O)CCOCC2)c1 1616039450 NHCYRRFCISDOOB-UHFFFAOYSA-N 339.319 1.224 0 40 EDAB CC(C)[C@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)NC(N)=O 5626643 BZENQXRRSCVCIQ-JTQLQIEISA-N 348.186 1.952 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)CN1CCCC1=O 12154933 GBEYGRHXEWUJSQ-GXTWGEPZSA-N 339.399 1.248 0 40 EDAB C[C@@H](C(=O)N1CCn2c(nnc2C2CC2)C1)n1nc2ccccc2n1 12158614 RNTBFADCOGRGFH-NSHDSACASA-N 337.387 1.504 0 40 EDAB CC1CCN(c2nc([C@H](C)NC(=O)c3ccccn3)cc(=O)[nH]2)CC1 19497016 AZBYJWOIMSBYLH-ZDUSSCGKSA-N 341.415 1.892 0 40 EDAB C[C@H](CNC(=O)CCc1cn(C)c2ccccc12)N1CCOCC1 19657537 ONPDJFPWWKIQBM-OAHLLOKOSA-N 329.444 1.948 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](Oc3nccnc3N(C)C)C2)no1 225504384 KHACAGXWCVWNBZ-GFCCVEGCSA-N 331.376 1.523 0 40 EDAB O=S(=O)(C1CC1)N1CC(n2cc(COc3ccccc3)nn2)C1 225629105 FVFFWCFJVSHKOL-UHFFFAOYSA-N 334.401 1.206 0 40 EDAB CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O 3293597 NBCSLTYDMZRQIY-HNNXBMFYSA-N 341.314 1.191 0 40 EDAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCN(c2cnccn2)CC1 27632179 FPEAAELXSHELCA-MRXNPFEDSA-N 339.443 1.818 0 40 EDAB Cn1cnnc1C1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 30653958 XONNTMRNLCULKB-UHFFFAOYSA-N 342.399 1.996 0 40 EDAB CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@]12CCNC2 953019118 NEMJYEUCQOALCQ-YJBOKZPZSA-N 332.400 1.798 0 40 EDAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)C3CCOCC3)[C@@H](C)C[C@H]21 1775964465 YKSRAZYXUQFNLX-ARLBYUKCSA-N 338.448 1.049 0 40 EDAB biogenic,in-vitro Cc1cnc(OC[C@H]2CCCN(c3ccc4nnc(C)n4n3)C2)nc1 1776001125 ZSZMGSALDMNRAZ-AWEZNQCLSA-N 339.403 1.827 0 40 EDAB O=c1cc(C2CC2)ncn1CCNc1ncc(Br)cn1 1776007889 KHNOOBYHQQMSTC-UHFFFAOYSA-N 336.193 1.785 0 40 EDAB CCc1cc(C(=O)N2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)no1 2037984980 UGTQTLZNXOTYJS-QGZVFWFLSA-N 335.404 1.337 0 40 EDAB Cc1ncc(C(=O)N2CC[C@H]3C[C@]32C(=O)N2CCC(C)CC2)c(C)n1 2056225233 KPGDBHRWCXZXQY-HNAYVOBHSA-N 342.443 1.957 0 40 EDAB O=S(=O)(N[C@@H]1CCn2nccc2C1)c1cccc2nsnc12 253471637 DWBMVKSGCICMHY-SECBINFHSA-N 335.414 1.181 0 40 EDAB Cc1cc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)no1 2087143867 RBMGPDZVTLSUCJ-UHFFFAOYSA-N 325.376 1.281 0 40 EDAB COC1(CC(=O)N2CCCn3cnc(C(=O)NC(C)C)c3C2)CCC1 1565555591 KOONQPIBRRVMBX-UHFFFAOYSA-N 348.447 1.713 0 40 EDAB C[C@H](C(=O)Nc1cccnc1)N1C(=O)c2ccccc2S1(=O)=O 4330273 XNAFZSWYOSVYEX-SNVBAGLBSA-N 331.353 1.253 0 40 EDAB CCOC(=O)[C@@H](C)Sc1nnc(-c2cn(C)nc2OC)n1C 12422585 XITWSMNABZNYOS-MRVPVSSYSA-N 325.394 1.268 0 40 EDAB CCOCC(=O)N1CCC(Nc2cccc(OC)c2)(C(=O)NC)CC1 2055750722 SMDSIHSFDBPIDM-UHFFFAOYSA-N 349.431 1.251 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100474700 ITASIBIOHKWOKH-HKCMKHECSA-N 330.384 1.151 0 40 EDAB Cc1c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cnn1C 31596528 KZDGLAQLRHALMU-SNVBAGLBSA-N 336.417 1.591 0 40 EDAB Cc1csc(=O)n1CCN1CCN(C(=O)c2ccccc2F)CC1 40494077 BDQGXMDHAGVBNH-UHFFFAOYSA-N 349.431 1.815 0 40 EDAB C[C@@H](CO)NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 40541419 LKEVGYIFRCDPGW-JTQLQIEISA-N 346.353 1.749 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)c1 40523831 FCAODVUNIGSKMK-OAHLLOKOSA-N 348.399 1.735 0 40 EDAB CS[C@H](C)C(=O)N1CCN(c2ncc(Br)cn2)CC1 40525158 UYPXIRKPJZJSCK-SECBINFHSA-N 345.266 1.639 0 40 EDAB NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 51173250 YCUFFMZOLUULKN-QMMMGPOBSA-N 337.854 1.047 0 40 EDAB COc1cccc(NC(=O)CN(C)C(=O)CN2C[C@@H](C)O[C@H](C)C2)c1 20963072 NWJARQSOZSFUQK-ZIAGYGMSSA-N 349.431 1.201 0 40 EDAB CS(=O)(=O)NCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 67789883 HIWQXVFKDOGCRQ-KRWDZBQOSA-N 344.436 1.710 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1OC 75572314 AUMSKXDPYQOIBK-SNVBAGLBSA-N 329.374 1.250 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CN(C[C@@H]2CCOC2)C2CC2)c1 46092678 KICHKEPRZQPJBL-HNNXBMFYSA-N 338.473 1.938 0 40 EDAB O=C(CCN1CCSC1=O)N1CCCN(C[C@H]2CCCO2)CC1 46047104 DEYLIZQMVLZQAY-CQSZACIVSA-N 341.477 1.259 0 40 EDAB CCOC(=O)C1=C(C)N(N)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1 6439036 NVPYJLXNIRIQBF-GFCCVEGCSA-N 336.373 1.537 0 40 EDAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1OC 6951439 LFPJPXQMTAGDQE-XYOKQWHBSA-N 348.355 1.550 0 40 EDAB C[C@@H]1Oc2c(cccc2C(=O)NCCCCn2ccnc2)NC1=O 69811993 XGFABLINOSSFSU-LBPRGKRZSA-N 328.372 1.813 0 40 EDAB COc1cc(C(=O)OCC(=O)N[C@H](C)C(C)C)cc2c1OCCO2 7939268 VOWWVSDYWSISFT-LLVKDONJSA-N 337.372 1.784 0 40 EDAB COc1cccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c1 7939469 MZAVOXDDVJOFFN-PIVDIINCSA-N 330.336 1.619 0 40 EDAB COc1ccc(C(=O)NC(C)(C)C)cc1S(=O)(=O)NC(C)C 8475840 YHLVCQBDFOSHNP-UHFFFAOYSA-N 328.434 1.910 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 33327147 PNCPSONTGLYLGL-UHFFFAOYSA-N 349.290 1.191 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)NC[C@H]2Cc3ccccc3O2)cc1 46812033 GWRRRAUVNKNTJU-CYBMUJFWSA-N 332.381 1.068 0 40 EDAB Cc1cc(C)n(-c2nnc(SCC(=O)N[C@@H](C)C(C)C)n2N)n1 7530609 JIHLXYLBEXHKQV-NSHDSACASA-N 337.453 1.047 0 40 EDAB O=C(CSc1cccc[n+]1[O-])NCCN1CCCc2ccccc21 53356604 QNXFZFHQXQBGTQ-UHFFFAOYSA-N 343.452 1.981 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(Cl)cc3F)CC2)N1 22320737 BYZMVQAUVCORGF-UHFFFAOYSA-N 325.727 1.293 0 40 EDAB O=C(Cn1nc(-c2ccco2)oc1=O)N1CCO[C@@H]2CCCC[C@H]21 53650181 VRDQCFIMGWSQEG-VXGBXAGGSA-N 333.344 1.266 0 40 EDAB Cc1ccc([C@H]2[C@@H](C(=O)NCCCN(C)C)CCC(=O)N2C)cc1 57355920 CFZTZPBRGRWIIC-WMZOPIPTSA-N 331.460 1.972 0 40 EDAB Cc1cc(C)n(CCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1 22990933 YRCUNYLTEQCFDK-UHFFFAOYSA-N 346.456 1.936 0 40 EDAB O=C1C[C@H](C(=O)N2CCN(c3nccs3)CC2)c2ccccc2N1 23010002 BFYYXBMPENFOFL-ZDUSSCGKSA-N 342.424 1.918 0 40 EDAB NC(=O)c1cnn2c1NC[C@@H](CN[C@@H]1CCCOc3ccccc31)C2 69815604 LJELZOCXVDPRRD-IUODEOHRSA-N 341.415 1.527 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3nnc4n3CCC4)CC2)no1 47258619 PFIMAOIEGGSONJ-GFCCVEGCSA-N 344.419 1.727 0 40 EDAB Cc1cccc(NC(=O)[C@@H]2CCCN(CC(=O)NCC(C)C)C2)n1 47260933 BBLIPVQVULLAJM-OAHLLOKOSA-N 332.448 1.813 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)C[C@H](NC(N)=O)c1ccccc1Cl 24473888 MDEFBIIGEBFTBZ-AWEZNQCLSA-N 349.822 1.832 0 40 EDAB COc1ccccc1NC(=O)CN1CCN(CCn2cccn2)CC1 105818988 UBDNYUUHUIVVRA-UHFFFAOYSA-N 343.431 1.148 0 40 EDAB C[C@@H]1CN(CCNC(=O)NC[C@H](c2ccco2)N(C)C)C[C@@H](C)O1 106084565 DKKQNGKTJBBERR-RBSFLKMASA-N 338.452 1.291 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)c2ccccc2OC(F)F)CC1 24780728 NJFRKLSQGXYOGU-UHFFFAOYSA-N 348.371 1.396 0 40 EDAB NC(=O)COc1cccc(NC(=O)c2ccc(-n3ccnc3)nc2)c1 24858320 YCQAVMPPBGARBZ-UHFFFAOYSA-N 337.339 1.384 0 40 EDAB O=C(NCCc1cccc(F)c1)[C@H](c1ccccc1)n1cnnn1 61722104 LHLZIVWASUZZRS-INIZCTEOSA-N 325.347 1.761 0 40 EDAB CCN1CCN(c2ccc(NC(=O)C3=COCCO3)cc2C)CC1 12557479 JHQYGKFUNXSAKR-UHFFFAOYSA-N 331.416 1.964 0 40 EDAB CCOc1ccc2nc(NC(=O)CC(=O)N3CCOCC3)sc2c1 1409792 VYZWHMKIFKITJZ-UHFFFAOYSA-N 349.412 1.882 0 40 EDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 24686432 VQFSHTGCHCLTSL-MRXNPFEDSA-N 336.457 1.855 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccc(C(N)=O)c1 25334003 DHGGZILUKVXAOL-BZNIZROVSA-N 326.352 1.630 0 40 EDAB Cn1cc(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cn1 76188611 OKWCITGZZZRPIM-UHFFFAOYSA-N 327.388 1.339 0 40 EDAB Cc1cnn(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 76497074 YOVDZMHFZLXXPC-KGLIPLIRSA-N 327.450 1.396 0 40 EDAB O=C1O[C@@H](C(=O)NCc2nncn2-c2ccccc2)Cc2ccccc21 47908968 LCSXRDWVBGOUNH-MRXNPFEDSA-N 348.362 1.665 0 40 EDAB NC(=O)C1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 57593626 LMTGYTMFGXAGHN-QGZVFWFLSA-N 329.444 1.938 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)OCC(=O)c1ccc(O)cc1O 57588905 HAXTXOPHHAWHBO-SECBINFHSA-N 332.356 1.978 0 40 EDAB Cc1nn(C)cc1CN1CCC2(CC1)C[C@H](NC(=O)N(C)C)CCO2 108527189 KURBIPBTYKVACL-MRXNPFEDSA-N 349.479 1.513 0 40 EDAB C[S@@](=O)c1ccc(C(=O)NCc2nnc(S)n2C2CC2)cc1 109056092 MKFKTFIAFPKIBW-QFIPXVFZSA-N 336.442 1.569 0 40 EDAB CCOCCN1CCN(CCOc2ccc3c(c2)CCC(=O)N3)CC1 69700491 AIAIHAYHWUBKIP-UHFFFAOYSA-N 347.459 1.604 0 40 EDAB CCc1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1C(C)(C)C 44867483 KANACQCCCWRFOX-UHFFFAOYSA-N 342.447 1.953 0 40 EDAB COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cn1 44891818 DNLRSUGWSRURTC-AWEZNQCLSA-N 347.440 1.955 0 40 EDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CCCC2)c1 44895498 RYQUFOOHMWLAER-UHFFFAOYSA-N 345.852 1.074 0 40 EDAB CC(C)CC(=O)N1CCC(NC(=O)[C@@H](C)NC(=O)c2ccoc2)CC1 58292925 ZWIUBIRCYBEZAK-CYBMUJFWSA-N 349.431 1.551 0 40 EDAB CN(C)S(=O)(=O)N1CCN(c2nccc3sccc23)CC1 44975331 OMYQWIZVNGORBZ-UHFFFAOYSA-N 326.447 1.225 0 40 EDAB CCc1c(C(=O)N[C@@H](C)CN2CCOCC2)cnn1-c1ccccn1 44943424 QCDVOUSTAJEROC-AWEZNQCLSA-N 343.431 1.280 0 40 EDAB COc1cccc(C[C@H](C(=O)N2CCSCC2)n2nnnc2C)c1 44955003 MZRFCGWOGGCXBN-OAHLLOKOSA-N 347.444 1.349 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c2c(=O)[nH]n(C)c2n1 58393780 JOABIMZPEPOFQL-VIFPVBQESA-N 342.321 1.985 0 40 EDAB C[C@@H](O)CNC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@@H](C)C4 2225928 JZPPJONMVYUHDE-RKDXNWHRSA-N 345.428 1.574 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc[nH]n3)CC2)cc1 7683944 GZRNVMWAMGZEFZ-UHFFFAOYSA-N 349.416 1.153 0 40 EDAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)c1 22229594 OQKOTBHAOZSNAK-AWEZNQCLSA-N 338.429 1.435 0 40 EDAB O=C1NCCCC[C@H]1NC(=O)N1CCC[C@H]1c1nnc2ccccn12 45668973 MARAEFIEQYGVHO-OLZOCXBDSA-N 342.403 1.245 0 40 EDAB C[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 48368849 QJWVZUSRXMSCBP-ONGXEEELSA-N 332.372 1.854 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N1CCC(CCc2ccc(O)cc2)CC1 12847483 KSLZWCBSUFQCMN-ZDUSSCGKSA-N 333.432 1.881 0 40 EDAB Cc1nnc(COC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)o1 12845052 MJCVXQJOKWVYRS-UHFFFAOYSA-N 346.368 1.761 0 40 EDAB COCCN1CC[C@@H](CNC(=O)c2ccc3nc(C)c(C)nc3c2)C1 68493001 IPYURZWARMNGNQ-HNNXBMFYSA-N 342.443 1.945 0 40 EDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(F)cc1 3505306 ICGFPXRVVPTHMB-UHFFFAOYSA-N 333.363 1.697 0 40 EDAB CCCn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O 8195318 JBHVUVYQZMEQEI-UHFFFAOYSA-N 347.440 1.757 0 40 EDAB COC(=O)[C@]1(O)CC(C)=NN1c1nc(-c2cccc(O)c2)cs1 5274421 ZCQQKRBGOQSUQO-OAHLLOKOSA-N 333.369 1.963 0 40 EDAB CN1C(=O)C[C@H](C(=O)N[C@@H]2C=C[C@H](CO)C2)[C@@H]1c1cccc(Cl)c1 81765972 BXRODMULZIDSMI-UTNFCUCBSA-N 348.830 1.913 0 40 EDAB NC(=O)CN1CCC(NC(=O)Nc2cnc3ccccc3c2)CC1 65400967 IEUPEXHJFDEGFV-UHFFFAOYSA-N 327.388 1.306 0 40 EDAB CC(=O)Nc1nc(COC(=O)C2CCN(C(C)=O)CC2)cs1 14067883 HNQPHSZWIXHXHV-UHFFFAOYSA-N 325.390 1.403 0 40 EDAB Cc1cc(C(=O)CN2CCC(N(C)S(C)(=O)=O)CC2)c(C)[nH]1 69558355 QGYNMQWYJADVGY-UHFFFAOYSA-N 327.450 1.170 0 40 EDAB CN1N=C(C(=O)N2CCC[C@H](CN3CCCCCC3)C2)CCC1=O 69517090 GFXBENSVSBYLIM-OAHLLOKOSA-N 334.464 1.709 0 40 EDAB Cc1ccccc1OC[C@@H](O)CN1CCN(Cc2nccn2C)CC1 69535667 QAIDLPNCCAZBRD-KRWDZBQOSA-N 344.459 1.286 0 40 EDAB O=C(C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1CCc2ccccc21 14118791 KKDQFKFHQPAEBC-MRXNPFEDSA-N 348.468 1.475 0 40 EDAB CC1=C(C(=O)Nc2ccccc2)C2(CCCC2)[C@@H](C(N)=O)C(=O)N1 4681285 NFSQPLCLEQXYDP-AWEZNQCLSA-N 327.384 1.691 0 40 EDAB COCCNC(=O)CN1CCN(c2nc3cc(C)ccc3o2)CC1 70017957 VWVLWBYVXBMWIY-UHFFFAOYSA-N 332.404 1.021 0 40 EDAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(OC)nc2)cc1 18003915 PEUOUVHIUFFEAB-UHFFFAOYSA-N 329.356 1.810 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCN(CCCN2CCCC2=O)CC1 69390237 LFXMFGKXOUAAIW-CQSZACIVSA-N 347.463 1.638 0 40 EDAB O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1CCCN1C(=O)OCC(F)(F)F 69397096 NCJNDDRVWLVETJ-JQWIXIFHSA-N 349.353 1.503 0 40 EDAB O=c1[nH]nc(SCc2cn3ccsc3n2)n1C[C@@H]1CCCO1 69382053 IHRCLNHRBURDRZ-JTQLQIEISA-N 337.430 1.752 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)c2noc3c2CCCCC3)cc1 20478510 DOVHWRGIIUAOKP-UHFFFAOYSA-N 335.385 1.843 0 40 EDAB C[C@H](C(=O)NC(N)=O)N(C)CCc1ccc(Br)cc1 69627024 AGSZZYQQIBTPNJ-SECBINFHSA-N 328.210 1.507 0 40 EDAB COC(=O)CCN(CC(C)C)C(=O)C(=O)NCCCc1ccccc1 69420860 SRZDGRARXNQQOO-UHFFFAOYSA-N 348.443 1.783 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCO[C@@H](Cn3cccn3)C2)o1 69451449 AUIONSYWZYQTAL-MRXNPFEDSA-N 332.404 1.144 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCN(Cc3nccn3C)[C@H](C)C2)on1 69486283 BATISTBMIVPFCG-KGLIPLIRSA-N 346.435 1.250 0 40 EDAB O=S1(=O)CC[C@H](NCc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 97083858 MNHKIFHBLVBFQE-VIFPVBQESA-N 344.799 1.337 0 40 EDAB Cc1[nH]cc(C(=O)NC2(C)CCOCC2)c(=O)c1Br 97097820 IAQLPCQHWUWRHN-UHFFFAOYSA-N 329.194 1.745 0 40 EDAB Cc1cc(C)n2nc(C)c(C(=O)N3CCn4c(C)nnc4C3)c2n1 71185521 FWDODUDEDIJKFJ-UHFFFAOYSA-N 325.376 1.210 0 40 EDAB COc1ccc(OCCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 72269221 FVPDFIZWOGPCAH-ZWKOTPCHSA-N 348.443 1.522 0 40 EDAB CCS(=O)(=O)CC(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1 72232090 JHIXJZTVEOPOQI-NSHDSACASA-N 329.422 1.334 0 40 EDAB O=C(c1cc(I)c[nH]1)N1CCc2[nH]ncc2C1 72285770 LFUDEQPQYQYVAB-UHFFFAOYSA-N 342.140 1.541 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CCCN(c3cnccn3)C1)C2 72278937 XFQULIIMYAAAOS-CABCVRRESA-N 340.431 1.329 0 40 EDAB Cc1noc(C)c1CCC(=O)NCc1ccc(S(N)(=O)=O)cc1 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1.743 0 40 EDAB CCn1cc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cn1 95435086 HPZKAJBEVVVRGP-UHFFFAOYSA-N 338.415 1.737 0 40 EDAB CN(C[C@@H]1CCCO1)C(=O)CCN1CCN(c2ccccc2)CC1 73271970 SFHOCMVBEDMDNK-SFHVURJKSA-N 331.460 1.836 0 40 EDAB CCc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)Nc3nccs3)CCO2)n1 89289808 HTYIGXGPDHIBJN-UWVGGRQHSA-N 336.421 1.224 0 40 EDAB Cc1cnc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)s1 89702422 GQTUEBAXZPDWRX-ZDUSSCGKSA-N 331.397 1.818 0 40 EDAB Cc1cnn(CCNC(=O)Cc2csc(-c3ncccn3)n2)c1 89702486 LSFLVXOZKGAPNH-UHFFFAOYSA-N 328.401 1.464 0 40 EDAB C[C@H](CNC(=O)C1CCN(c2ccc(Cl)cn2)CC1)C(=O)O 89900626 OKBIWSQGUIQFEL-SNVBAGLBSA-N 325.796 1.788 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c2cccnc12 42122354 CJNKZCOIRHVSDU-CQSZACIVSA-N 331.347 1.237 0 40 EDAB Cn1cncc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 306134644 NUFJAVPSRDKKEY-AEFFLSMTSA-N 332.448 1.271 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)c1C 1551731956 KNSVCMWQYCTCTF-KDURUIRLSA-N 348.443 1.821 0 40 EDAB COC(=O)CCNC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 79494867 ORZHEKMICGAENA-UHFFFAOYSA-N 331.372 1.199 0 40 EDAB Cc1cccnc1Nc1cc(C[C@H]2CCCN(CC(N)=O)C2)ncn1 72383608 BIGYDAKWFGSBRM-CQSZACIVSA-N 340.431 1.663 0 40 EDAB CN(C)c1ccccc1CN1CCC(NC(=O)c2cnn(C)c2)CC1 78047761 BZVNSXLXBHWLSD-UHFFFAOYSA-N 341.459 1.881 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccco2)CC1 43935490 XQWHNAXMYKVCKM-CYBMUJFWSA-N 337.420 1.837 0 40 EDAB COc1cc(S(=O)(=O)NCC(C)(F)F)cc(C(=O)O)c1OC 562737191 UUAYPUWVPZWESX-UHFFFAOYSA-N 339.316 1.336 0 40 EDAB CCc1cc(NCCCNS(C)(=O)=O)nc(-c2ccccn2)n1 68662951 OXQUCCFERXBWFD-UHFFFAOYSA-N 335.433 1.452 0 40 EDAB CN(C)c1ccc(CCCNC(=O)C(=O)NCC(F)(F)F)cc1 49509467 BHJQXINLEPFOJK-UHFFFAOYSA-N 331.338 1.480 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 195542459 FLHVRALFAFWNAL-INIZCTEOSA-N 337.851 1.537 0 40 EDAB COc1ccccc1CCNC(=O)C(=O)Nc1n[nH]c2ncccc12 49547893 YMHDQFRBROAZQA-UHFFFAOYSA-N 339.355 1.264 0 40 EDAB O=C1C[C@@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)N3CCOCC3)cc21 49546516 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AQAABMVDQXIZRU-QGZVFWFLSA-N 342.443 1.228 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)Cc2ccc(-n3ccnc3C)cc2)[C@@H]1O 585292125 YNQINBPRRTXRNY-KURKYZTESA-N 331.416 1.387 0 40 EDAB Cn1cc(CCC(=O)N2CC[C@@](O)(COc3cccc(F)c3)C2)cn1 585272357 NJKINIJKMGDUFM-SFHVURJKSA-N 347.390 1.534 0 40 EDAB CO[C@]1(CCC(=O)NCc2ccc(CO)cc2)CCCN(C(C)=O)C1 585280584 KWPCNKRKHYSYSC-IBGZPJMESA-N 348.443 1.603 0 40 EDAB O=C(Cn1cccn1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585287766 FKRGDETZKFPBGJ-LZLYRXPVSA-N 327.384 1.029 0 40 EDAB C[C@]1(c2ccccc2)CC(=O)N(CC2(CS(C)(=O)=O)CC2)C1=O 679280817 SFDQATOXXXAPBZ-MRXNPFEDSA-N 335.425 1.528 0 40 EDAB CN1C[C@@H](C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)CC1=O 50379461 NHVBDWNYDDBWJR-GOEBONIOSA-N 334.391 1.812 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCO1 51585246 FOFXXSKVSJIANL-KRWDZBQOSA-N 337.379 1.976 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 56037166 KASBOPVTYDPGPY-ZDUSSCGKSA-N 347.433 1.474 0 40 EDAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO[C@H]1CCCCO1 58416158 MVMVNRMWHJLXNR-SJORKVTESA-N 345.399 1.790 0 40 EDAB O=C(CSCc1nc2ccccc2[nH]1)NCCNc1ncccn1 69457484 XITKNGNHLSBGJH-UHFFFAOYSA-N 342.428 1.814 0 40 EDAB CO[C@@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)C1 69918665 KIPGXZMBJRVYFO-CHWSQXEVSA-N 328.478 1.962 0 40 EDAB CCCOc1cc(CNC(=O)c2cc(O)nc3ncn(C)c23)ccn1 1615054523 BFIDSPGXIHHHDW-UHFFFAOYSA-N 341.371 1.788 0 40 EDAB CN(C)c1cccc(CNC2C[C@@H]3CC[C@H](C2)N3S(C)(=O)=O)c1 1616039348 XSBVBYOMCXPKAD-ZXFUBFMLSA-N 337.489 1.797 0 40 EDAB CN(CC1CC1)c1nnnn1CCCn1cc(Br)cn1 1616036693 SIGRTNJSMXGBIZ-UHFFFAOYSA-N 340.229 1.569 0 40 EDAB CC1(C)O[C@H]2[C@H](O[C@@H]([C@H](O)COC(=O)c3ccccc3)[C@H]2F)O1 5742015 KWTCJBZBPXSFRW-ZHZXCYKASA-N 326.320 1.419 0 40 EDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)n1 12133963 RFJDIECPEZUYQB-JJTKIYQPSA-N 340.427 1.505 0 40 EDAB COCCn1c2ccccc2n2c(=O)n(Cc3cscn3)nc12 12145090 FVIKLPSVZNBVIW-UHFFFAOYSA-N 329.385 1.602 0 40 EDAB C[C@@H](OC(=O)c1ccc(F)c(F)c1)C(=O)Nc1ncnc2nc[nH]c12 12979210 TZTFZCAHANDNEH-SSDOTTSWSA-N 347.281 1.815 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1OC 14223632 JYBHUVXMWBVZMS-GFCCVEGCSA-N 326.418 1.173 0 40 EDAB CC(C)[C@@H](Sc1nnnn1C1CCCCC1)C(=O)NC(N)=O 16295124 DWYQXRDFWNUOGD-SNVBAGLBSA-N 326.426 1.490 0 40 EDAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3C)C2=O)C1 17071841 ZSBQCLDGBGNXFW-GOEBONIOSA-N 344.411 1.902 0 40 EDAB CC(=O)NCCn1nc([C@@H]2CCN(CC(C)(C)C)C2)c2nccnc21 19021528 DCQZPCZKALAGHI-CQSZACIVSA-N 344.463 1.798 0 40 EDAB O=C(COc1ccccn1)NC1CCN(Cc2cccnc2)CC1 19402209 CWEHPBMHTKJMSL-UHFFFAOYSA-N 326.400 1.636 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 19526759 ARKAASZAGPCBAD-MMMWYMCRSA-N 344.411 1.582 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)O)CC2)[C@H]1c1ccccc1 563067292 DNSWYGNPAJCAJF-IUODEOHRSA-N 338.429 1.721 0 40 EDAB O=C(CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NCCC1=CCCCC1 577236174 LQLQUTNCTKVKTC-RCCFBDPRSA-N 336.476 1.855 0 40 EDAB COCc1cn([C@H]2CCN(C(=O)[C@@H]3CCc4ccccc4O3)C2)nn1 585149660 HHVCCAJKKSWJNU-RDJZCZTQSA-N 342.399 1.592 0 40 EDAB O=C(NCc1ccc(Br)cc1)c1ccc2nncn2n1 1888890345 MLHMMBBNNNZZFT-UHFFFAOYSA-N 332.161 1.817 0 40 EDAB C[C@@H](C(=O)NCCn1cccc1)n1nc(C(F)(F)F)ccc1=O 1888901234 CDOVQLNZFMAUPR-JTQLQIEISA-N 328.294 1.441 0 40 EDAB Cc1nc2c(c(N3CCN(c4ncnc5n[nH]cc45)CC3)n1)CCC2 1888906721 ZFAMAZWDFAOVLQ-UHFFFAOYSA-N 336.403 1.267 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N[C@H](Cn1nccn1)c1ccccc1 245131261 VLCNNMVYCWHYRE-CQSZACIVSA-N 347.400 1.603 0 40 EDAB Cc1nc2ccc(N3CCN(c4ncnc5[nH]cnc45)CC3)nn2c1C 2087064969 GXKNWOAKQAQJEQ-UHFFFAOYSA-N 349.402 1.339 0 40 EDAB COC1(CC(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)CCC1 1565554174 SREYAXZLOLOPHW-QLFBSQMISA-N 336.432 1.088 0 40 EDAB CCOc1c(C)cnc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 9571664 XJDVNQCRIZYIIB-UHFFFAOYSA-N 343.358 1.990 0 40 EDAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1nc(CCc2ccccc2)n[nH]1 18268708 DQHOZROFUZRKCF-SDSIWUNFSA-N 334.379 1.901 0 40 EDAB Cn1nc(C2CCN(c3ncnc4c3CCC4)CC2)n(C2CC2)c1=O 2086854668 RXLRPQFEMIDONI-UHFFFAOYSA-N 340.431 1.579 0 40 EDAB C[C@H](Oc1ccccc1F)C(=O)N1CCN(c2cccnc2)C(=O)C1 606440535 ZJAXKLNNDFXMLO-ZDUSSCGKSA-N 343.358 1.863 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](CCC[C@@H](N)C(=O)OC(C)(C)C)C(=O)O 43898878 XMSWNHNIMRSERP-MNOVXSKESA-N 346.424 1.804 0 40 EDAB O=C(NCCN1CCOCC1)c1cccc(OC[C@H]2CCCO2)c1 40489338 RPQOFISAOPFZNH-QGZVFWFLSA-N 334.416 1.306 0 40 EDAB COc1ccc(Cl)cc1CNC(=O)N[C@@H]1CCS(=O)(=O)C1 40539921 DQFUSBLENAGNGO-LLVKDONJSA-N 332.809 1.335 0 40 EDAB O=C(c1ccsc1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 51450599 IEUCDHSLOXQLQG-MRXNPFEDSA-N 346.452 1.946 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ccccn1)C2=O 16702696 ILWRPRGWNZZNGL-SJKOYZFVSA-N 331.372 1.626 0 40 EDAB CCOc1ccc(OC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1 45954609 KSZYFRSBACOIPW-UHFFFAOYSA-N 340.335 1.694 0 40 EDAB Cc1cc(C)nc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1 29530026 AVJYGMWKYCIBOL-INIZCTEOSA-N 331.464 1.616 0 40 EDAB C[C@H](CNC(=O)NCc1ccnn1C)N1CCc2ccccc2C1 29732000 GZGORUQNZWGAKP-CQSZACIVSA-N 327.432 1.666 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)Nc1ccc(Cn2cccn2)cc1 69187420 DOOLMXAVRMBRDV-HNNXBMFYSA-N 343.431 1.774 0 40 EDAB CC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 2623992 GEQWAJWLAKZNOV-UHFFFAOYSA-N 345.804 1.870 0 40 EDAB CN(C)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 2622915 ZZRLNNWSTVXCJK-UHFFFAOYSA-N 337.379 1.570 0 40 EDAB O=C1NCCN1C1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 52215203 RHTGTRXKXBQTHL-WBVHZDCISA-N 348.491 1.657 0 40 EDAB CCCOc1ccc(Oc2nc(NC)nc(N3CCOCC3)n2)nn1 2862062 AILBQYLWVBVVQC-UHFFFAOYSA-N 347.379 1.121 0 40 EDAB CONC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 32848395 RELXHLMBBHBLJC-UHFFFAOYSA-N 332.809 1.806 0 40 EDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CNCc2ccco2)cc1 4969167 VBQRHXPDTDOQHC-UHFFFAOYSA-N 337.401 1.258 0 40 EDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1 8428786 MQUMEVPUGIPONU-UHFFFAOYSA-N 329.400 1.948 0 40 EDAB COC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 8268596 BWDBKSKUQCTEHZ-VXGBXAGGSA-N 336.388 1.208 0 40 EDAB Cc1c(NC(=O)c2cc3ncc(Br)cn3n2)cnn1C 2791709 NISMDQSAIMRDPN-UHFFFAOYSA-N 335.165 1.786 0 40 EDAB CC[C@H]1CCc2nc(NC(=O)CN(C)S(C)(=O)=O)sc2C1 46785573 OKYRNQPXMZDVNY-VIFPVBQESA-N 331.463 1.488 0 40 EDAB CC(C)(C)c1cnc(CN2CCN(c3ccc4nncn4n3)CC2)o1 70008036 ZOWYIOUVYULNKE-UHFFFAOYSA-N 341.419 1.732 0 40 EDAB COC(=O)C1=C(C)NC(=O)[C@@H]1CC(=O)N(C)Cc1ccccc1OC 103301428 ZNSZEXRCXZZNTP-CYBMUJFWSA-N 346.383 1.237 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)N(C[C@H]1CCOC1)C1CC1 46935945 DDJCUOIVASDONI-CYBMUJFWSA-N 327.384 1.424 0 40 EDAB O=C(O)[C@@H]1CCCN1C(=O)CCn1cc(Br)ccc1=O 33510825 UPAFOEQGWBYIJQ-JTQLQIEISA-N 343.177 1.077 0 40 EDAB O=C(NCCCn1cncn1)c1cc(F)ccc1Br 41862755 LFQPDYYGVVOPFW-UHFFFAOYSA-N 327.157 2.000 0 40 EDAB O=c1c2ccccc2nnn1CN1CCN(Cc2ccccc2)CC1 22816063 UZLOZADIKDWETO-UHFFFAOYSA-N 335.411 1.567 0 40 EDAB Cc1nn(C)c2c(NCCCN3CCOCC3)nc(C3CC3)nc12 57356025 LYWXZPVKGSWWFV-UHFFFAOYSA-N 330.436 1.683 0 40 EDAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 76942514 GWWAUIHNQHBMDB-MSOLQXFVSA-N 341.455 1.521 0 40 EDAB COCC(=O)NC[C@H]1CC[C@H]([C@@H](NC(C)=O)c2ccccn2)CC1 100750056 GRNCHLARWRXQRA-RVKKMQEKSA-N 333.432 1.828 0 40 EDAB CCS(=O)(=O)NCCc1ccc(I)s1 69374742 SWHSBKMMHZOEOF-UHFFFAOYSA-N 345.227 1.835 0 40 EDAB Cc1noc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)n1 69348231 QGECGJKFEGDUPX-KRWDZBQOSA-N 326.356 1.834 0 40 EDAB CN(CC(N)=O)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 61572901 UQLSIMXDBGYBLF-UHFFFAOYSA-N 326.400 1.834 0 40 EDAB Cn1ccnc1CN1CCN(C[C@@H](O)COCc2ccccc2)CC1 69371314 TYNNIOLDGPWELJ-GOSISDBHSA-N 344.459 1.115 0 40 EDAB O=C(CS(=O)(=O)c1ccc2c(c1)OCCCO2)NC1CCCC1 47644685 TXLLFPUUUBATJY-UHFFFAOYSA-N 339.413 1.680 0 40 EDAB CCc1nc(CCNC(=O)NCc2nnc3ccccn23)cs1 69347686 ITJZBOOZQOJKIG-UHFFFAOYSA-N 330.417 1.790 0 40 EDAB COC(=O)C1(NC(=O)CCNC(=O)c2cccs2)CCCCC1 25173405 AOVUANRDIUFKRP-UHFFFAOYSA-N 338.429 1.860 0 40 EDAB O=C(OCCO)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 25388394 JCKAFLDUZRWNRR-UHFFFAOYSA-N 332.333 1.213 0 40 EDAB CC(C)c1nnc(NC(=O)NC[C@H](O)CN2CCCCC2)s1 43695992 SDVDNEPHIZJJSQ-NSHDSACASA-N 327.454 1.630 0 40 EDAB O=C1CN(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)C(=O)N1 12521596 FHAZDWQNZAOVOJ-UHFFFAOYSA-N 348.362 1.891 0 40 EDAB CN(C)c1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cn1 102838445 ZPYUDSUDYJQSQW-STQMWFEESA-N 330.388 1.261 0 40 EDAB CCOC(=O)C(NC(=O)Cc1c[nH]c2ccccc12)C(=O)OCC 25973235 KYSYQIYUWSWWEL-UHFFFAOYSA-N 332.356 1.321 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccc(F)cc2)CC1 35361636 JQTSWERNKNBDBU-UHFFFAOYSA-N 336.411 1.572 0 40 EDAB CCOC(=O)c1nc2[nH]c(CSc3ccccn3)cc(=O)n2n1 10157031 MTRVOVNZIRJFFX-UHFFFAOYSA-N 331.357 1.282 0 40 EDAB O=C(COC(=O)CNC(=O)c1ccccc1Cl)NC1CCCC1 3291840 ZFZZLGJBQNZZRA-UHFFFAOYSA-N 338.791 1.672 0 40 EDAB COc1ccc(C(=O)COC(=O)c2ccc(C(N)=O)cc2)cc1F 24932400 LEJAXFUXBFUBCY-UHFFFAOYSA-N 331.299 1.973 0 40 EDAB O=C(CCNC(=O)[C@H]1COc2ccccc2O1)NCc1cccnc1 58202223 ZGXMONDWCOEDLZ-MRXNPFEDSA-N 341.367 1.044 0 40 EDAB C[C@H](SCc1ccccc1)C(=O)N1CCCN(CC(N)=O)CC1 58223747 GWOIAJVPWRCUQP-AWEZNQCLSA-N 335.473 1.328 0 40 EDAB CC[C@@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)O 2112565 JMJZMJKLHZDUCT-GFCCVEGCSA-N 347.367 1.940 0 40 EDAB biogenic COCCn1cc(NC(=O)NC2CCN(c3ncccn3)CC2)cn1 44968338 TZRWMEYBLCPQBW-UHFFFAOYSA-N 345.407 1.110 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@@H](C)[C@H]2CCCO2)nn1-c1ccccc1F 27875535 YCQSBZOMWOLLDQ-BLLLJJGKSA-N 345.374 1.977 0 40 EDAB O=C(c1cn(-c2ccc(F)cc2)nn1)N1CCN(CC2CC2)CC1 58391556 NDGMIJGPAPMUBB-UHFFFAOYSA-N 329.379 1.574 0 40 EDAB Cc1cccc(NC(=O)C2CCN(CC(=O)N[C@H](C)C3CC3)CC2)n1 58330545 XESUXJUBFWIIHQ-CQSZACIVSA-N 344.459 1.955 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@@H](N)C2)ccc1Br 36297329 QLPYRNUJUFWNIH-SNVBAGLBSA-N 333.251 1.869 0 40 EDAB NC(=O)c1ccc(NC(=O)CNc2ccccc2-n2cncn2)cc1 28070990 DPYWSUNSKOSENZ-UHFFFAOYSA-N 336.355 1.417 0 40 EDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)N[C@@H]1CCCC[C@H]1C 3315381 FTIUKMBINLBCLI-WWISCJFESA-N 340.445 1.661 0 40 EDAB C=C1c2ccccc2C(=O)N1CCC(=O)N1CCN(C(C)=O)CC1 48253497 ZIECMOQBUGBEIF-UHFFFAOYSA-N 327.384 1.194 0 40 EDAB CC[C@@H](C)c1ccc(S(=O)(=O)NCCNS(=O)(=O)CC)cc1 58776677 KJGHUGGSGWGJIU-GFCCVEGCSA-N 348.490 1.418 0 40 EDAB O=C1NCc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc21 58747316 QYUXAQXAMTXILI-HNNXBMFYSA-N 349.390 1.917 0 40 EDAB C[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)c1c[nH]c2ccccc12 11005117 DYODDLASOFQWBD-MNOVXSKESA-N 335.381 1.717 0 40 EDAB O=C(CCc1n[nH]c(=S)[nH]c1=O)NCCc1c[nH]c2ccccc12 11256621 NPWKGSBBMMYTAD-UHFFFAOYSA-N 343.412 1.600 0 40 EDAB O=C1CN(C(=O)COc2ccc(Cl)cc2Br)CCN1 11571236 VNRBLVBXGBQOPB-UHFFFAOYSA-N 347.596 1.440 0 40 EDAB CC(=O)NCCCNC(=O)N[C@@H](c1ccccc1)c1nccn1C 45865138 YCBSAYXNCDHSDH-HNNXBMFYSA-N 329.404 1.335 0 40 EDAB Cc1cc2oc(=O)cc(COC(=O)Cn3cnnn3)c2cc1C(C)C 3430198 VYWSTUACGONHHG-UHFFFAOYSA-N 342.355 1.955 0 40 EDAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)Nc1nccs1 17045701 UTLQVMLMDONMJU-UHFFFAOYSA-N 331.357 1.250 0 40 EDAB O=C(CS(=O)(=O)NC[C@@H]1CCCO1)NCc1cccc(Cl)c1 69415483 XPUVXYRPTQXTTI-ZDUSSCGKSA-N 346.836 1.055 0 40 EDAB CN(C)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 409027560 FQHWKLWPKSLCGR-UHFFFAOYSA-N 325.217 1.848 0 40 EDAB COc1ccc(-c2nnc(CN[C@H]3CCc4ncnn4C3)o2)cc1 69661414 OOQSRKITEMDLBJ-LBPRGKRZSA-N 326.360 1.441 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCN3C)o1 69616613 NLCRZTDESDEKHE-UHFFFAOYSA-N 335.385 1.432 0 40 EDAB O=C1C[C@H](c2ccccc2)N2N=C(NC(=O)c3ccccn3)NC2=N1 18038298 GLLGSBDKEWPFNG-CYBMUJFWSA-N 334.339 1.015 0 40 EDAB COc1ccccc1COC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 91820279 CFEURJSIYOFTGR-SFHVURJKSA-N 348.443 1.533 0 40 EDAB CNS(=O)(=O)CCCSc1nncn1-c1ccccc1C 65491204 SXWZARWZWDNHOX-UHFFFAOYSA-N 326.447 1.607 0 40 EDAB NC(=O)CC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 65575815 QVIASFPCNOMJKR-UHFFFAOYSA-N 330.363 1.739 0 40 EDAB COc1ccc(NC(=O)N(C)C[C@@H](O)COCCOC(C)C)cn1 65564268 KAHHURCNZHPZPF-CQSZACIVSA-N 341.408 1.356 0 40 EDAB CS(=O)(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccco3)[nH]2)c1 65621341 WZXWVVBUXAMTPH-UHFFFAOYSA-N 347.356 1.689 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)COc2ccc(F)cc2)CC1 69899978 MOUXLKHUMWVQLR-UHFFFAOYSA-N 346.406 1.673 0 40 EDAB Cc1nc([C@@H](NC(=O)CCNC(=O)C(C)(C)C)c2ccccc2)n[nH]1 69808769 BSMPNWJGWRRNOO-HNNXBMFYSA-N 343.431 1.871 0 40 EDAB O=c1cc(CN2CCN(CCc3cccs3)CC2)[nH]c2ccnn12 66496539 IKNDAHFOABIKIT-UHFFFAOYSA-N 343.456 1.444 0 40 EDAB CNS(=O)(=O)c1cccc(CNCc2cccc3c2OCO3)c1 66988825 HVROUQLDJDIEIS-UHFFFAOYSA-N 334.397 1.613 0 40 EDAB COc1ccc(CCNC[C@@H](O)COC[C@@H]2CCCO2)cc1OC 6937417 RYALUNFXALENPN-CVEARBPZSA-N 339.432 1.392 0 40 EDAB CC(=O)N1CCC(NC(=O)NCc2ccc3c(c2)OCCCO3)CC1 67100225 FAAXKNASBWUNOH-UHFFFAOYSA-N 347.415 1.658 0 40 EDAB Cc1ccc([C@@H](NC(=O)CN2CCNC(=O)C2)c2cccs2)cc1 15479728 WCBMMTUYLWZVIV-GOSISDBHSA-N 343.452 1.694 0 40 EDAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 8775178 UDXMBWGCXSHDAR-UHFFFAOYSA-N 340.426 1.155 0 40 EDAB CCc1nn(C)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 92349174 QHGZUWIMCKWGMC-MRXNPFEDSA-N 326.400 1.513 0 40 EDAB Cn1ncc(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)c1C(F)F 68111937 WVQHRPYDOKXANQ-SECBINFHSA-N 346.403 1.788 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1ccc(C(N)=O)cc1 16119695 ZXDDVNJENNYLSE-UHFFFAOYSA-N 347.392 1.854 0 40 EDAB COc1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1Cl 9048324 RAXGAZURTZPHHX-LLVKDONJSA-N 332.809 1.711 0 40 EDAB O=C1NCCN(C(=O)c2cc[nH]n2)[C@H]1c1ccccc1C(F)(F)F 96005975 OYFZQDXMTCDZFJ-LBPRGKRZSA-N 338.289 1.742 0 40 EDAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(CCO)CC1 19799340 LVCVEFUOMLCIEE-UHFFFAOYSA-N 339.244 1.292 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H](c1ccc(F)cc1F)C1CCCC1 83615358 OVTFOQYRSTXNTM-OAHLLOKOSA-N 346.399 1.862 0 40 EDAB CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 96437398 GSVBLIPFJOGLQS-QANKJYHBSA-N 333.453 1.784 0 40 EDAB Cc1ccc2c(c1)S[C@H](C(=O)N1CCCN(CC(N)=O)CC1)C2 71829346 YMYCPCDJPXKCMX-HNNXBMFYSA-N 333.457 1.031 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(Br)s2)CC1 71871004 INNAVQJSROOIHE-VIFPVBQESA-N 333.251 1.649 0 40 EDAB Cc1csc(N2CCN(CC(=O)NCc3ccccn3)C[C@@H]2C)n1 71863970 IBHTZXFRKAOSNT-AWEZNQCLSA-N 345.472 1.673 0 40 EDAB COc1ccc(CCN2CCN(C(=O)c3csnn3)CC2)cc1 71836600 SOUCEWAIFVWLOZ-UHFFFAOYSA-N 332.429 1.547 0 40 EDAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCN2CCCC[C@@H]2C1 71839956 YFXCRTVBUSBHQO-JKSUJKDBSA-N 329.448 1.390 0 40 EDAB COc1cccc(N2C[C@H](C(=O)N(C)CCCC(=O)O)CC2=O)c1 83860798 RIMOTNICDPBBCY-GFCCVEGCSA-N 334.372 1.371 0 40 EDAB CN(C)CCNC(=O)Cn1cc(NC(=O)Nc2cccc(F)c2)cn1 71922266 DBJJQGCEHLFMRA-UHFFFAOYSA-N 348.382 1.344 0 40 EDAB Cn1cc([C@@H]2CN(C(=O)NC3CC3)CC[C@@H]2N2CCCCC2)cn1 306144509 ZHIQRENGAYCLMD-IRXDYDNUSA-N 331.464 1.936 0 40 EDAB Cc1cn2c(n1)[C@@H](CNCc1ccc(OCC(N)=O)cc1)CCC2 84257778 CRWWRAZEUBITEN-OAHLLOKOSA-N 328.416 1.723 0 40 EDAB Cc1nnc2n1C[C@H](N[C@@H](C(=O)NC(C)C)c1ccccc1)CC2 97199362 XFQKBMULCHAQFG-NVXWUHKLSA-N 327.432 1.757 0 40 EDAB Cc1ccn2c(CN[C@@H]3CCN(S(C)(=O)=O)C[C@@H]3C)cnc2c1 72300602 IBSZENIDNKNJPN-DZGCQCFKSA-N 336.461 1.402 0 40 EDAB O=C(NCCO)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 97213510 JIIACLAMCQWKAW-LBPRGKRZSA-N 331.199 1.707 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(OC(F)F)cc1 78725954 YXMGVJCQAVFDOA-SNVBAGLBSA-N 334.344 1.181 0 40 EDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3nnc(C(C)(C)C)o3)C2)C1=O 78899317 ZEUZQYWTTFPFSZ-PIGZYNQJSA-N 349.435 1.519 0 40 EDAB CCc1nc(CCNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cs1 78930448 FSHIWDGQRBOPEF-GFCCVEGCSA-N 338.477 1.947 0 40 EDAB C[C@H]1CCC[C@@H](C)N(C(=O)c2ccc(CNS(C)(=O)=O)o2)C1 84691683 LIMITAPCMQGTIE-NWDGAFQWSA-N 328.434 1.980 0 40 EDAB CC[C@@H]1CN(C(=O)c2ncoc2[C@@H]2CCCO2)C[C@H]1N1CCOCC1 84735992 QVQCZXGPCKJRIF-KFWWJZLASA-N 349.431 1.709 0 40 EDAB C[C@@H](CNc1nc2ccccc2nc1N1CCOCC1)[S@@](C)=O 95449499 DFVUFZCUPKSSBO-MYODQAERSA-N 334.445 1.645 0 40 EDAB COc1ccc(C)cc1-n1cnc(C(=O)N2CCCN(C)CC2)c1 95426756 DCKNYHTWPPCQPP-UHFFFAOYSA-N 328.416 1.967 0 40 EDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCc2ccccc21 79019028 ADLHVOCMEVMHSS-GOEBONIOSA-N 336.457 1.647 0 40 EDAB O=C(NCc1nncn1-c1ccccc1)Nc1ccc2[nH]nnc2c1 95973238 ZTCSXLICOKMTQQ-UHFFFAOYSA-N 334.343 1.860 0 40 EDAB Cn1ccnc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1=O 85733502 KRKZKKDMIVZXJE-OAHLLOKOSA-N 326.400 1.631 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](CN2CCN(Cc3ccco3)CC2)C1 85772101 LCYUMSQMICGNCJ-HNNXBMFYSA-N 341.477 1.069 0 40 EDAB O=C(NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn21)N1CCCC1 306143110 XTMFDDLOCDWUFZ-QGZVFWFLSA-N 347.463 1.472 0 40 EDAB C[C@@H]1CCN(c2ccc(C(N)=O)nn2)CCN1Cc1ccccc1 75055700 CTZOUEUEQLXCDC-CQSZACIVSA-N 325.416 1.676 0 40 EDAB CNC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 89702542 YCZZSUQPQBQHKE-OAHLLOKOSA-N 341.415 1.323 0 40 EDAB CCOCCCN(C[C@H](C)C(=O)OC)C(=O)[C@H](C)OCC1CC1 89986912 UXJXLMCQYMCDKH-KBPBESRZSA-N 329.437 1.866 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2nc(C(=O)NCC3CC3)sc2C1 306143741 YLCPRKFKCOEWAV-USWWRNFRSA-N 333.457 1.912 0 40 EDAB CC(C)CC(=O)Nc1ccc2c(c1)ncn2CC(=O)NCCN(C)C 61721055 SIUMQSLKDLVXGR-UHFFFAOYSA-N 345.447 1.699 0 40 EDAB CN(C)C(=O)N1CC2(C1)OCC[C@@H]2CCOCC1CCOCC1 306138776 SHDHWKJIKIISIY-HNNXBMFYSA-N 326.437 1.592 0 40 EDAB C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cnn(C)c1Cc1ccccc1 548845087 URGZSTLWCRXJDP-IUODEOHRSA-N 326.400 1.408 0 40 EDAB CC[C@@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 521269331 XZTPUBHBUDNWAA-SNVBAGLBSA-N 332.809 1.238 0 40 EDAB Cn1cc(CN2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)cn1 77266708 QJQDFOVLLBXMEV-QGZVFWFLSA-N 343.406 1.681 0 40 EDAB biogenic,in-vitro O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCC(=O)N1Cc1ccco1 72239656 BEKRQZWTWNOYCS-AWEZNQCLSA-N 342.351 1.816 0 40 EDAB O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@H](O)C1CCOCC1 531300393 RMVHDCIKPVWOCJ-QZTJIDSGSA-N 332.444 1.555 0 40 EDAB Cn1nc(C(F)(F)F)cc1CNC(=O)N1C[C@H](N)C2(CCC2)C1 1553532139 PIMAFBNZCYNWLQ-JTQLQIEISA-N 331.342 1.462 0 40 EDAB CCOC(=O)CCC(=O)NCCN1CCN(c2ccccc2)CC1 38587594 MERSBBITJCRLDZ-UHFFFAOYSA-N 333.432 1.268 0 40 EDAB O=S(=O)(c1ccccc1)[C@H]1[C@@H](c2ccc(F)cc2)C1(CO)CO 218449325 WSXDTOVYXUZAOF-CVEARBPZSA-N 336.384 1.736 0 40 EDAB COc1cccc(-c2cc(CNC(=O)c3ccc(=O)n(C)n3)no2)c1 38753452 WIEBFJHPJCVUPG-UHFFFAOYSA-N 340.339 1.374 0 40 EDAB O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]2[C@@H]1O 14555958 PHAPESVEHHOBEI-PLZKBRGSSA-N 340.416 1.611 0 40 EDAB biogenic CC(=O)Nc1ccc(OC[C@@H](O)CN[C@H]2CCCc3c[nH]nc32)cc1 564852945 VIAQIMHLNPGBNT-RDJZCZTQSA-N 344.415 1.775 0 40 EDAB Cc1onc(C2CC2)c1C(=O)NC[C@H](O)C(=O)OCc1ccccc1 521394683 FZYVCNAFADRQQD-AWEZNQCLSA-N 344.367 1.695 0 40 EDAB CSCC[C@@H](NS(=O)(=O)c1ccc2nc(O)oc2c1)C(=O)O 41125015 LXJVNLWNCYFOCQ-SECBINFHSA-N 346.386 1.018 0 40 EDAB C[C@H](NS(=O)(=O)C[C@H]1CCOC1)[C@H](c1ccccc1)N(C)C 225459472 XBEFSGCEDHDQSO-OFQRWUPVSA-N 326.462 1.634 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 1576082458 MRFRQURYWPDUDU-BBRMVZONSA-N 340.431 1.557 0 40 EDAB COc1ccccc1OS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226860101 MJFJEMFNGBNXCF-UHFFFAOYSA-N 333.321 1.347 0 40 EDAB Cc1ncc2n1CC[C@@H](C(=O)N1CCC(C)(N3CCOCC3)CC1)C2 529908005 CYNHMAYWQXOVDW-MRXNPFEDSA-N 346.475 1.467 0 40 EDAB COc1ccc([C@H](CC(=O)NC(C)(C)C)NS(C)(=O)=O)cc1 225954591 MXNZVLYGKOCXSG-ZDUSSCGKSA-N 328.434 1.590 0 40 EDAB O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1cccs1 75162138 MLWRGMUFDIPJNB-UHFFFAOYSA-N 326.403 1.176 0 40 EDAB O=C(NCCCC(=O)N1CCN(c2ccccc2)CC1)C(F)F 194594271 WCKANEPHLPJHEK-UHFFFAOYSA-N 325.359 1.497 0 40 EDAB NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1sccc1Cl 571493895 XSSLVUBWEQYSIJ-XKSSXDPKSA-N 334.850 1.676 0 40 EDAB Cn1ncc(Br)c1CC(=O)N[C@@]12CCC[C@@H]1NCC2 1579998550 QJSXEFJMWYFAEJ-WCQYABFASA-N 327.226 1.126 0 40 EDAB O=C(NCCCc1cnc2ncnn2c1)c1cnc2ccccc2n1 225642036 LSANWNXZZHQJPN-UHFFFAOYSA-N 333.355 1.430 0 40 EDAB C[C@H](O)[C@H]1CCCN(c2cc(N3CCC[C@@H]([C@@H](C)O)C3)ncn2)C1 195567149 JZKYHGKPTKFMAC-GEEKYZPCSA-N 334.464 1.671 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2c(Cl)cccc2OC)C1 97235526 HFFMJAJHWUGAPE-LLVKDONJSA-N 332.853 1.862 0 40 EDAB Cc1ccc(N[C@@H]2CN(C3CCOCC3)C[C@@H]3CCCO[C@@H]32)nn1 97953519 FONUEGXYYVCXIB-LESCRADOSA-N 332.448 1.855 0 40 EDAB C[C@H](O)C[C@@H]1COCCN1C(=O)NCCc1cc(F)c(F)c(F)c1 97095063 NSYUDDGRGNTZFA-CMPLNLGQSA-N 346.349 1.828 0 40 EDAB Cc1nnc(N2CCC[C@@]3(CN(C(=O)c4ccc[nH]4)CCO3)C2)o1 96226665 SYSNBXSZSLBPBW-MRXNPFEDSA-N 331.376 1.218 0 40 EDAB O=C(Cc1ccco1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 96208871 LJNDONNUIPMKPF-KDOFPFPSSA-N 328.368 1.771 0 40 EDAB Cc1cn2c(=O)c(C(=O)NC[C@@H](C)CN3CCCC3)cnc2s1 92881045 ABQXEWZCGYEILI-LLVKDONJSA-N 334.445 1.526 0 40 EDAB CC(C)c1ccc(N2CC[C@H](C(=O)NCCc3ncon3)C2=O)cc1 96423750 GCIVBFBLSYZUCF-OAHLLOKOSA-N 342.399 1.905 0 40 EDAB C[C@H](NC(=O)[C@H](C)n1cccn1)c1ccc(S(C)(=O)=O)c(F)c1 96425824 CCDFTKTZOREBKW-QWRGUYRKSA-N 339.392 1.864 0 40 EDAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)COC)CC2)Oc2ccccc21 96053293 NGUOZLPVEMXWMU-CQSZACIVSA-N 346.427 1.696 0 40 EDAB CO[C@H]1CO[C@@]2(CCCN(C(=O)c3nn(C)c4ccccc34)C2)C1 96073508 IRLAAGRDIRSDCE-ACJLOTCBSA-N 329.400 1.983 0 40 EDAB O=C(O)[C@H]1CCCN1S(=O)(=O)NCCCc1ccc(Cl)cc1 579227268 YTOCPEKMWLHHAW-CYBMUJFWSA-N 346.836 1.656 0 40 EDAB COCCn1ccc(NC(=O)N[C@H]2CCN(CC3CCCC3)C2)n1 96434496 ROURPWKRDNLNHE-HNNXBMFYSA-N 335.452 1.916 0 40 EDAB CN(C)C(=O)[C@H]1OC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 96058399 QVCCCJMWCNYHJX-AWEZNQCLSA-N 338.429 1.097 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(-c2nc[nH]n2)c1 96116867 MIBDUTVYKREQTK-UHFFFAOYSA-N 346.350 1.820 0 40 EDAB O=C(CC1CC1)N1C[C@H]2OCC(=O)N(Cc3cccc(F)c3)[C@@H]2C1 96246427 RKYIUSVEBKDWLG-HZPDHXFCSA-N 332.375 1.564 0 40 EDAB O=C(NCc1nccc(N2CCOCC2)n1)Nc1cccc(F)c1 96120889 RWFKHWNLKXKSLO-UHFFFAOYSA-N 331.351 1.774 0 40 EDAB Cc1ccc(N2CCC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)nn1 96223238 WWBQICGNGWIVAQ-WMLDXEAASA-N 344.394 1.954 0 40 EDAB Cc1nc(CN2CC[C@@]3(CCN(C(=O)[C@H]4CCOC4)C3)C2=O)cs1 96159473 UWRYFZDSNCFHRH-GUYCJALGSA-N 349.456 1.439 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Cc1n[nH]c2ccccc12 245338932 PKCKBHWSVFBLFX-NXKWAJLKSA-N 327.384 1.809 0 40 EDAB CN(C)CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 42741457 KXUNJDDAKGEEEU-UHFFFAOYSA-N 344.242 1.839 0 40 EDAB CC(=O)NCc1cnc(CC2CCN(c3cc(C)ncn3)CC2)cn1 257270591 MUWCQLBSTRXXTK-UHFFFAOYSA-N 340.431 1.670 0 40 EDAB O[C@@H]1[C@H](Oc2cccc(F)c2)CC[C@@H](NCc2cscn2)[C@H]1O 257262997 LNXQBSNJGQUUHS-KLHDSHLOSA-N 338.404 1.704 0 40 EDAB O=C1[C@H](N2C(=O)[C@@H]3CCCN3C2=O)CCN1c1ccccc1Cl 253420301 MEGPETVYYHTCBI-QWHCGFSZSA-N 333.775 1.872 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(C(=O)Cc2coc3cc(C)ccc23)C1 257218183 DCEDPNZLBDDNQM-HNNXBMFYSA-N 343.427 1.420 0 40 EDAB COc1cccc(CN2CCN(C3CCOCC3)C[C@H](C(N)=O)C2)c1 257291468 QHAYIMHNJWSUKZ-MRXNPFEDSA-N 347.459 1.093 0 40 EDAB C[C@H]1CCc2nc(C(=O)N3CCC[C@H](CN4CCOCC4)C3)cn2C1 585122491 POZMSMRQPQBBHB-JKSUJKDBSA-N 346.475 1.650 0 40 EDAB Cc1cccc(CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1C 585117294 XMBGHNKLRFUMJK-UHFFFAOYSA-N 334.445 1.533 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cn3c(C)cccc3n2)n1 257293976 QRYBVMSGXRPHEK-CQSZACIVSA-N 325.372 1.888 0 40 EDAB CCOc1ccccc1CN1CCN(C(C)=O)C[C@@H](C(=O)NC)C1 257241758 HZMOJUXWFFSQJP-INIZCTEOSA-N 333.432 1.112 0 40 EDAB COCC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O 257342280 ZNYPYQPGUNYUJH-WBVHZDCISA-N 346.427 1.206 0 40 EDAB C[C@@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1c1ncccn1 253592563 XBOQCCWZTOGENN-GFCCVEGCSA-N 338.371 1.777 0 40 EDAB CC1(C)CC[C@H](CNC(=O)Cn2cc(C(=O)O)nn2)c2ccccc21 263313471 HBGYRTRCXOSGBL-GFCCVEGCSA-N 342.399 1.948 0 40 EDAB COCCCN[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ncnc21 1616037719 LLZHKTUAMGHQKC-LBPRGKRZSA-N 337.424 1.295 0 40 EDAB O=C(CNC(=O)c1cc([N+](=O)[O-])cnc1O)Nc1ccc(F)cc1 390833715 LVTAEKXNXHQBIQ-UHFFFAOYSA-N 334.263 1.203 0 40 EDAB O=C(NC1CCC1)[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 575403110 CXPMHHMJJPBERY-INIZCTEOSA-N 340.383 1.455 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 585108852 WEDDNKHNOYUEEN-JYJNAYRXSA-N 328.372 1.394 0 40 EDAB O=C(c1cccc(O)n1)N1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 585276380 JDSIXQAZIGGZFR-CZUORRHYSA-N 330.359 1.992 0 40 EDAB Cc1c(Br)cccc1CS(=O)(=O)c1nnc(N)n1C 585136585 LUUVYVVRDDCVHK-UHFFFAOYSA-N 345.222 1.442 0 40 EDAB Cc1ncc(C(=O)N2CC[C@@](O)(COc3cccc(F)c3)C2)c(O)n1 585277924 XRMOKOOVFHAYDA-KRWDZBQOSA-N 347.346 1.286 0 40 EDAB O=C(NCCCn1cnc2ccccc21)[C@@H]1CC(=O)N(CC2CC2)C1 46319424 VRWSXALSVLRCJM-OAHLLOKOSA-N 340.427 1.801 0 40 EDAB CCOC(=O)CSc1nnc(NC(=O)N2CCOCC2)s1 47781441 UEFUEMRJHRNROJ-UHFFFAOYSA-N 332.407 1.057 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccccn2)C1=O 55517175 RJBOICZHALPFQY-KBXCAEBGSA-N 342.399 1.466 0 40 EDAB COc1ccc(C2(CNC(=O)[C@H]3CC(=O)N(C)C3)CCOCC2)cc1 56452426 HPPVMPXTNODCKZ-AWEZNQCLSA-N 346.427 1.338 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)c1ccc2c(=O)[nH]c(S)nc2c1 69389986 UVLQSEKKMNKNFU-VIFPVBQESA-N 348.428 1.246 0 40 EDAB C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccco1)C2 72346968 KOWKHQBPZHDEJX-GFCCVEGCSA-N 342.399 1.940 0 40 EDAB CC(C)CCN[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cnc3ccccc32)[C@H]1O 952844803 KDZMFYOULOCLSR-HSFUPAIVSA-N 331.416 1.698 0 40 EDAB biogenic,in-vitro Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@]1(O)CCc2ccccc2C1 96026047 NOLPAMCGNADNAW-QGZVFWFLSA-N 349.456 1.235 0 40 EDAB CCn1ccnc1[C@H](NC(=O)c1cn(C)nc1C)C1CCOCC1 514682964 PUHKBWWQGQTEOD-OAHLLOKOSA-N 331.420 1.843 0 40 EDAB CO[C@H]1C[C@@H](CN(C)C(=O)c2ccnc(OC3CCC3)c2)N(C)C1 517599037 ZISAXPIRSPOXEJ-HOCLYGCPSA-N 333.432 1.804 0 40 EDAB CN1C[C@H]2[C@H](CCCN2C(=O)Nc2cnn(-c3ccccc3)n2)C1=O 1615210318 LNGGKLWYVJAUAO-KBPBESRZSA-N 340.387 1.352 0 40 EDAB Cc1c(Cl)c(C(=O)NCC2(N(C)CCO)CCCCC2)nn1C 1615538128 XCHWMJVQUCRGMO-UHFFFAOYSA-N 342.871 1.739 0 40 EDAB O=C(Nc1ccc2nccn2c1)N1CCC2(CC1)C[C@@H](O)CCO2 1548453624 DFUNWUXBDNFABX-AWEZNQCLSA-N 330.388 1.872 0 40 EDAB CC(=O)N1CCN2CC(=O)Nc3cc(C(C)C)ccc3OC[C@@H]2C1 1772594676 SIEXLJXILVFFLK-HNNXBMFYSA-N 331.416 1.674 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC(O)(c3ccccn3)CC2)cc1 12114461 JIJGHDBCSAAMQJ-UHFFFAOYSA-N 348.424 1.763 0 40 EDAB Cn1c2ccccc2n2c(=O)n(CC(=O)NC3CCCCC3)nc12 12145269 HGEODSUCGNWKLY-UHFFFAOYSA-N 327.388 1.437 0 40 EDAB Cc1cc(O[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc(=O)o1 206968282 KRDVXUVLIMBQJG-NSHDSACASA-N 341.410 1.852 0 40 EDAB COc1cc(N2CCN(c3nnc(C4CC4)s3)CC2=O)ccn1 1888843084 DHSYAHFOTRRGQI-UHFFFAOYSA-N 331.401 1.672 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2cnccn2)C3)nc1 1888873355 LNTQZILBCZUBRV-RDTXWAMCSA-N 339.399 1.896 0 40 EDAB Cc1nnc(CN2CCN(c3nccc(N4CCCC4)n3)CC2)o1 2087124873 QPSHIKICDSSEEK-UHFFFAOYSA-N 329.408 1.090 0 40 EDAB COc1ccc(NC(=O)C[C@@H](NCc2cccnc2)C(=O)O)cc1 4139342 RZGLIJXZJXKRSR-OAHLLOKOSA-N 329.356 1.662 0 40 EDAB CCN1CCN(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 4373283 ZFKAJVWTFQGYCT-CQSZACIVSA-N 346.431 1.148 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NCCn1ccn2nccc12 206746550 BPHJUXPHZJRCQC-UHFFFAOYSA-N 338.364 1.262 0 40 EDAB O=C(NCc1ccc(Cl)cc1)N1CC[C@H](N2C(=O)COC2=O)C1 225703076 ONFNVZZLSRARCI-LBPRGKRZSA-N 337.763 1.603 0 40 EDAB Cc1ccccc1OCC(=O)NCC1CCN(S(C)(=O)=O)CC1 43979750 XWPCNVLJPKCMND-UHFFFAOYSA-N 340.445 1.162 0 40 EDAB O=C(NCCOCCn1ccnc1)c1ccc(C(F)(F)F)nc1 575621211 ZFBZYGBOXSRAAZ-UHFFFAOYSA-N 328.294 1.744 0 40 EDAB CN(C)c1nc(CNC(=O)c2cc3ccccc3o2)nc(N(C)C)n1 575606447 IKQQUIFZXJNMLL-UHFFFAOYSA-N 340.387 1.680 0 40 EDAB O=S1(=O)N=C(N2CC(COc3cccnc3)C2)c2ccccc21 2298060317 QYFULMJKGXPMRO-UHFFFAOYSA-N 329.381 1.541 0 40 EDAB Cc1nc(N2CCCC2)cc(N2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 2298180898 WMSRMFDYURZXNG-IRXDYDNUSA-N 345.491 1.811 0 40 EDAB O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)[nH]c2ccccc12 3596262 ZHQPRBRAQYOKMI-UHFFFAOYSA-N 341.348 1.795 0 40 EDAB in-vitro COC(=O)c1ccc2oc(=O)n(Cc3cc(=O)c(OC)co3)c2c1 104766385 OYTAMPQAOJUSER-UHFFFAOYSA-N 331.280 1.391 0 40 EDAB O=C(N[C@H]1Cc2ccccc2[C@@H]1N1CCOCC1)N1CCOCC1 20218857 NHHNYJOAJUCCLR-IRXDYDNUSA-N 331.416 1.026 0 40 EDAB CNC(=O)c1ccccc1NC(=O)CSc1nncn1C(C)C 40496998 OBIVXDYZTKVZDE-UHFFFAOYSA-N 333.417 1.949 0 40 EDAB CC(=O)Nc1ccc(CNC(=O)c2cnc3ccccn3c2=O)cc1 40488733 ZDLVFPMJGJMPMK-UHFFFAOYSA-N 336.351 1.583 0 40 EDAB COc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)o2)cc1OC 40478882 OPWIFLQVQLAVBZ-UHFFFAOYSA-N 326.326 1.969 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100646808 JRDUHJWDRYKTQG-GIRXQMHSSA-N 329.352 1.674 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)CCO1 50857579 DTAYMGIGFAKDSD-INIZCTEOSA-N 325.368 1.439 0 40 EDAB COC(=O)c1c(SCC(=O)NCCC(C)C)nc(=O)[nH]c1C 31618151 ZYSKQEIYVOTDBK-UHFFFAOYSA-N 327.406 1.119 0 40 EDAB Cn1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)nc2)cn1 40539659 NHNFPRXFGKGNJF-UHFFFAOYSA-N 335.433 1.284 0 40 EDAB COCCN(C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccncc1 101126751 OMRYBTIRRBEGGV-GJZGRUSLSA-N 345.399 1.236 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2ccc(O)cc2)NC(=O)N[C@]1(O)C(F)(F)F 67182 RSUAGPSEDHULFZ-GBIKHYSHSA-N 348.277 1.176 0 40 EDAB CN(CC(=O)N1CCc2sccc2C1)c1ncnc2[nH]cnc12 45979708 FFNRCPUCYFNFPW-UHFFFAOYSA-N 328.401 1.436 0 40 EDAB O=C(CCn1nc(-c2ccccc2)ccc1=O)NC[C@H]1CCCO1 220195 YCLOQKBBHABXIO-OAHLLOKOSA-N 327.384 1.596 0 40 EDAB COCCCS(=O)(=O)N1CCN(Cc2c(F)cccc2F)CC1 92062746 OCVIOUVRAPBQMK-UHFFFAOYSA-N 348.415 1.449 0 40 EDAB CC(=O)NC(CCC(=O)c1ccc(Cl)cc1)(C(=O)O)C(=O)O 1672633 ZAUMEIGSSPFLCB-UHFFFAOYSA-N 327.720 1.347 0 40 EDAB O=C(CCNC(=O)c1cccs1)NCCCOC[C@H]1CCCO1 52168362 XQWIKPALDANPRH-CYBMUJFWSA-N 340.445 1.570 0 40 EDAB COCCN1C[C@@H](C(=O)N2CCC[C@H]2Cc2cccc(F)c2)CC1=O 46626168 LVEDNZJIGYIRAZ-RDJZCZTQSA-N 348.418 1.854 0 40 EDAB CNC(=O)c1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1 21321330 FAYIOIPNCXHDEB-UHFFFAOYSA-N 332.381 1.702 0 40 EDAB O=C(CCc1nc(-c2ccsc2)no1)N[C@@H]1CCS(=O)(=O)C1 32784472 SYZYUUMKYAFRPS-SNVBAGLBSA-N 341.414 1.034 0 40 EDAB CCCS(=O)(=O)N1CCC(NC(=O)c2cccnc2S)CC1 32738782 GXSUIORYSSDCNL-UHFFFAOYSA-N 343.474 1.304 0 40 EDAB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c1 2779975 YCLKYPVDRKGQND-UHFFFAOYSA-N 348.380 1.772 0 40 EDAB CCCCn1nc(C(=O)N2CC[C@@H](C(N)=O)C2)c2ccccc2c1=O 41129076 IOPCSCGSEMUVSS-GFCCVEGCSA-N 342.399 1.144 0 40 EDAB NS(=O)(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 52487568 FAMCGMLJLGZQKR-UHFFFAOYSA-N 329.425 1.578 0 40 EDAB O=C(NCCN1CCOCC1)c1ccc(NC(=O)c2ccc[nH]2)cc1 68775360 WKYAXEIQBAJITR-UHFFFAOYSA-N 342.399 1.329 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)[C@@H]3CCCCN3CC)CCO2)n1 76046721 LKJBDYMTBOBDIA-UONOGXRCSA-N 335.452 1.532 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)C3CCOCC3)CC2)C1=O 108531232 BRAWSUCSXTVWLS-SFHVURJKSA-N 338.448 1.291 0 40 EDAB C[C@H]1CN(c2ccc(C(=O)N[C@@H]3CCCCNC3=O)cn2)C[C@@H](C)O1 54002138 SSWQDSRKRBWRJA-VNHYZAJKSA-N 346.431 1.094 0 40 EDAB O=C1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCN1 23418664 ILDBVVFVPGWGMG-UHFFFAOYSA-N 349.818 1.151 0 40 EDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N(C)Cc2cnn(C)c2)cc1 24478608 YXSZVPOBOVFOMU-RMKNXTFCSA-N 348.428 1.000 0 40 EDAB C[C@H]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C)CC(C)(C)C1 1273265 PEXSVDCNWCUXOL-NSHDSACASA-N 333.436 1.233 0 40 EDAB c1ccc2c(c1)[nH]c1c(N3CCOCC3)nnc(N3CCOCC3)c12 104187518 CTNVJORUCPHJDT-UHFFFAOYSA-N 339.399 1.784 0 40 EDAB O=C(NC[C@@H]1CCOC1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 48183538 QXUOZTPPRDXQFA-JKSUJKDBSA-N 348.418 1.760 0 40 EDAB Cc1cnn(-c2ccc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)cc2)c1 44478522 LQXUANDCXVPMRT-ZDUSSCGKSA-N 333.413 1.345 0 40 EDAB O=C1CN(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)CCN1 57748213 JPMRUHODMJIKOK-KRWDZBQOSA-N 347.415 1.525 0 40 EDAB Cc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)nc2)n1C 27334358 QGCWSDWHVMMMTI-UHFFFAOYSA-N 343.431 1.565 0 40 EDAB Cc1nc(-c2cccc(NC(=O)N[C@@H]3CCc4ncnn4C3)c2)no1 119976651 GJHMKWKFUCQKQE-CYBMUJFWSA-N 339.359 1.773 0 40 EDAB Cn1nnnc1SCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 77210927 OOXDJDAOYVUBOH-LBPRGKRZSA-N 337.380 1.041 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)N1CC[C@H](N2CCCC2)C1 78737154 CKTPRQHYLIUVST-HNNXBMFYSA-N 331.416 1.838 0 40 EDAB O=S(=O)(N[C@H](c1ccccc1)c1ccccn1)N1CCOCC1 44896190 OXKXTWAZVHLIHK-MRXNPFEDSA-N 333.413 1.338 0 40 EDAB COc1ccc(COC[C@H](O)Cn2nnc(-c3cccnc3)n2)cc1 58264530 NGOWNVLUVNDTTB-OAHLLOKOSA-N 341.371 1.321 0 40 EDAB C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 58279582 VBENGQVRURLJRY-SWLSCSKDSA-N 335.433 1.862 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@@H](C)CN2CCOCC2)n1 44955196 TWWABQHJGQDLAM-ZFWWWQNUSA-N 337.468 1.156 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1Cl 44935971 DRVMLMGLYRBLNH-SNVBAGLBSA-N 329.809 1.912 0 40 EDAB O=C(Cn1ccccc1=O)NCCNc1ncnc2sccc12 48290806 ASUDHMSDXHLHSF-UHFFFAOYSA-N 329.385 1.081 0 40 EDAB COc1c(CNCc2cccc(C(=O)NC3CC3)c2)c(C)nn1C 58411938 NEJJCZLXVYUUIY-UHFFFAOYSA-N 328.416 1.919 0 40 EDAB COC(=O)[C@H](CSCSC)NS(=O)(=O)c1ccc(C)cc1 2350962 VTECDPVYMZLZFB-LBPRGKRZSA-N 349.499 1.869 0 40 EDAB COc1ccc(Oc2ccc(CNC(=O)[C@H](C)NC(N)=O)cn2)cc1 58903981 WTKJSSYPHJYHQI-NSHDSACASA-N 344.371 1.556 0 40 EDAB Cc1nc(SCCN2C(=O)CCC2=O)n(C[C@@H]2CCCO2)c1C 48344821 RZCSAKULHJCHAT-ZDUSSCGKSA-N 337.445 1.920 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NOCc1ccccc1)C2=O 36727598 QMAHFPNXYULLGR-SCLBCKFNSA-N 345.399 1.735 0 40 EDAB CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccncc1 3501780 BEFYRXCSFBOMBD-ZDUSSCGKSA-N 347.444 1.747 0 40 EDAB COc1ccc(CNC(=O)NCc2ccc(N(C)C)nc2)cc1O 69150450 TYTCIPOACORVBH-UHFFFAOYSA-N 330.388 1.861 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@@H]12 27790788 CMCZQHNDMQTNPH-ATNYBXOESA-N 327.336 1.371 0 40 EDAB C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)NCC(=O)O 4000375 GFYULBSOBQVUJH-QMMMGPOBSA-N 337.763 1.151 0 40 EDAB biogenic CCCNC(=O)[C@H](C)NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63809037 UTEPHLLBZGWAAP-QMMMGPOBSA-N 334.401 1.642 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCCC[C@H]3CN(C)C)cnc12 69347920 YLLUJXQOQAWGOX-HNNXBMFYSA-N 342.443 1.648 0 40 EDAB CCCCNC(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 69974492 AIIPTROFQRVFEL-UHFFFAOYSA-N 338.496 1.810 0 40 EDAB CC1=NN(S(=O)(=O)c2c(C)nn(C)c2C)[C@](O)(C(F)(F)F)C1 17071183 QHSUCTGRGVIEKO-SNVBAGLBSA-N 340.327 1.058 0 40 EDAB NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 69452580 MVYFWMFZLHQPGG-HZPDHXFCSA-N 337.379 1.644 0 40 EDAB CNC(=O)CN1CCC(NC(=O)C[C@H](C)c2ccccc2F)CC1 69432851 DOOIMFTVSLPSDM-ZDUSSCGKSA-N 335.423 1.646 0 40 EDAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NC[C@H]1CCCO1 408709762 WQZQEDQGHIISOQ-GFCCVEGCSA-N 333.388 1.059 0 40 EDAB C[C@H](Cc1ccccc1Cl)NC(=O)Nc1cnn(CC(N)=O)c1 65410905 GOSYXEKGZRSBTK-SNVBAGLBSA-N 335.795 1.775 0 40 EDAB CC(C)CN1C[C@H](C(=O)NCCNC(=O)OC(C)(C)C)CC1=O 65406099 NGHYQUBHNMPUHZ-GFCCVEGCSA-N 327.425 1.132 0 40 EDAB COc1cc2c(cc1OC)S(=O)(=O)N(Cc1cc(C)on1)C2=O 69559637 UCBROSSDAJZIMT-UHFFFAOYSA-N 338.341 1.345 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 65554662 VRFUPYNOFPEDDP-IRXDYDNUSA-N 345.443 1.764 0 40 EDAB COCCN1CCC[C@@H]1CNC(=O)CNC(=O)OCc1ccccc1 65515010 ZSVCSELNZRLBBO-MRXNPFEDSA-N 349.431 1.140 0 40 EDAB CCSc1ccc(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cn1 65577424 XKUSZXXTRWAHAM-UHFFFAOYSA-N 348.428 1.901 0 40 EDAB CNC(=O)Cn1cc(Nc2ccc3nnc(-c4ccccc4)n3n2)cn1 69562660 RKDGLUUVEXFSBN-UHFFFAOYSA-N 348.370 1.477 0 40 EDAB NC(=O)c1ccc(CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 14196982 CTYVDSINJWCEIC-HNNXBMFYSA-N 348.424 1.568 0 40 EDAB O=C(CN1CCN(C(=O)Nc2ccccc2F)CC1)N1CCCCC1 14139892 ZZFKUVRQZUJCFE-UHFFFAOYSA-N 348.422 1.988 0 40 EDAB COc1ccc(-c2nnc(CN3CCN(C[C@H](C)O)CC3)o2)cc1 69652563 KOTGTOZOGNRUTI-ZDUSSCGKSA-N 332.404 1.244 0 40 EDAB Cc1cc(C)n2cc(CN3CCCC[C@H]3Cn3cncn3)nc2n1 69696915 BMBRUHACPBKHKP-INIZCTEOSA-N 325.420 1.992 0 40 EDAB COc1ccccc1N1CC[C@H](CNC(=O)NCc2nc(C)no2)C1 66193470 ZOTDYWOYHABWQD-CYBMUJFWSA-N 345.403 1.712 0 40 EDAB C[C@@H](c1cccc(F)c1)N1CCN(CCCNS(C)(=O)=O)CC1 91980730 OSRJPHAXKXTZQI-AWEZNQCLSA-N 343.468 1.444 0 40 EDAB O=c1c(Cl)c(NCCO)cnn1-c1ccc(C(F)(F)F)cn1 8780014 VZXXRLPCXZCKPA-UHFFFAOYSA-N 334.685 1.704 0 40 EDAB O=C(NCCNC(=O)c1cnccn1)c1ccc(Cl)c(Cl)c1 4985288 KOXSRWNPPIDNCG-UHFFFAOYSA-N 339.182 1.943 0 40 EDAB Cc1ccc(OCC(=O)NCCNC(=O)c2ccc(C)nc2)cc1 4985533 HABFKPVOXBLXQS-UHFFFAOYSA-N 327.384 1.623 0 40 EDAB C[C@H](O)CCNC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 92352975 QYJWPCBQANKJEE-VZJVUDMVSA-N 339.823 1.682 0 40 EDAB Cc1nc(N2CCC[C@@H](CS(N)(=O)=O)C2)nc(C)c1CC(C)C 80228409 YBZHEQWTUXPZGW-CQSZACIVSA-N 340.493 1.797 0 40 EDAB O=C([C@@H]1CC(=O)N(c2nccs2)C1)N1CCC(c2nc[nH]n2)CC1 82977551 OOCVUILSZBCMKN-LLVKDONJSA-N 346.416 1.020 0 40 EDAB O=C1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1 96006768 IJSAWKCTFBGZQL-KBPBESRZSA-N 327.377 1.584 0 40 EDAB C[C@H](C(=O)N1CC(S(=O)(=O)Nc2ccccc2)C1)n1cccn1 96005391 KWSLBQCNMPTAPG-GFCCVEGCSA-N 334.401 1.097 0 40 EDAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3cccs3)C[C@@H]1C2 306136635 PYUPQMAVRVPSLI-RYUDHWBXSA-N 343.456 1.536 0 40 EDAB CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)CC1CCOCC1 97013983 GXPSOEQFLLIXIG-CYBMUJFWSA-N 342.465 1.582 0 40 EDAB COc1ccc2c(c1)C(=O)CC1(CCN(S(C)(=O)=O)CC1)O2 170550467 VILJSCPLLABWDE-UHFFFAOYSA-N 325.386 1.455 0 40 EDAB COC(=O)[C@H](NC(=O)CCNC(=O)c1ccc(Cl)cc1)C(C)C 9502756 QZDUENUGCHTKLE-CQSZACIVSA-N 340.807 1.774 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 72234496 BDWPGEGPLQZGNE-IRXDYDNUSA-N 340.431 1.290 0 40 EDAB C[C@H]1CO[C@H](c2ccccc2Cl)CN1CCC(=O)NC(N)=O 71897374 DEVNSURYLOBNKC-GWCFXTLKSA-N 325.796 1.687 0 40 EDAB COc1ccc(-c2noc(CCC(=O)N3CCNC(=O)CC3)n2)cc1 71839565 RETPXHXFCIFTKF-UHFFFAOYSA-N 344.371 1.026 0 40 EDAB O=C(NCCNc1ncccn1)c1cc(=O)[nH]c2ccc(Cl)cc12 71893292 YFNQMCSLRDVBDE-UHFFFAOYSA-N 343.774 1.813 0 40 EDAB O=C1C[C@@H](C(=O)N2CCCN(c3nccs3)CC2)CN1CC1CC1 71830682 KYWVIPUJRYGKBH-CQSZACIVSA-N 348.472 1.440 0 40 EDAB CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1F 72292714 XSHKAJNNHFZJBY-SECBINFHSA-N 330.381 1.630 0 40 EDAB CN(Cc1nnc2ccccn12)C(=O)Nc1ccc(-n2cccn2)nc1 71911759 ALKKMBODWIBQNW-UHFFFAOYSA-N 348.370 1.974 0 40 EDAB O=C(NC1CC1)[C@H](NCc1nnc2n1CCCC2)c1ccccc1 72299714 SZSXBZWVUOSNDZ-QGZVFWFLSA-N 325.416 1.724 0 40 EDAB COc1ccc(CNC(=O)[C@@H](C)Sc2nc(N)cc(=O)[nH]2)cc1 9669726 JQGZFJUDEOHNNG-SECBINFHSA-N 334.401 1.158 0 40 EDAB Cc1nnc([C@H](C)N2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)o1 84291316 VGLKLTIDXRCFNM-FZMZJTMJSA-N 345.451 1.651 0 40 EDAB COC(=O)N[C@H](C(=O)N1CC[C@H](CN(C)CC2CC2)C1)C(C)C 72307168 OOCKARLIWYVHNI-CABCVRRESA-N 325.453 1.557 0 40 EDAB Cc1nc(S(=O)(=O)NC[C@@H](O)c2ccccc2Cl)cn1C 95433160 DIEJGYMYTKKREY-GFCCVEGCSA-N 329.809 1.394 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[C@@H]2CCCCN2C1 95406157 GPBOVNOZHADSEL-BZSNNMDCSA-N 342.439 1.987 0 40 EDAB C[C@H](NC(=O)Cc1cc(F)ccc1F)C(=O)N1CCSCC1 95403516 IIQJUDNPKWYJCO-JTQLQIEISA-N 328.384 1.587 0 40 EDAB C[C@H](CC(=O)N1CCOCC1)NC[C@@H]1CCO[C@@H]1c1ccccc1 95423209 CQXFVIHIKOGQDY-HHXXYDBFSA-N 332.444 1.991 0 40 EDAB CC(C)c1cccc(S(=O)(=O)NC[C@](C)(O)c2cnn(C)c2)c1 95433201 MCYPKZCUEYZFMP-INIZCTEOSA-N 337.445 1.730 0 40 EDAB Cc1ccccc1C1(C(=O)N(C)C[C@H](O)CN2CCN(C)CC2)CC1 95417552 NRYXOMIDOOBOAA-KRWDZBQOSA-N 345.487 1.093 0 40 EDAB O=C(NCCS(=O)(=O)Nc1ccccc1)c1ccc2[nH]nnc2c1 73802683 OXZVXWHSJCDXLT-UHFFFAOYSA-N 345.384 1.130 0 40 EDAB CCOC(=O)CCCNC(=O)c1cc(Br)c(C)[nH]c1=O 95943993 VFTFMZDLRWNDMC-UHFFFAOYSA-N 345.193 1.519 0 40 EDAB CN1CCC(N(C)c2ccccc2CNCC2(O)CCOCC2)CC1 89375222 WOMAXCOBIKQDET-UHFFFAOYSA-N 347.503 1.848 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc3nncn3c2)cc1 75301210 DYDQNZKMXJJZCO-UHFFFAOYSA-N 330.369 1.526 0 40 EDAB CC[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@H]1N(C)C 89948462 YKOYTCBDXDHFMQ-AAEUAGOBSA-N 345.365 1.666 0 40 EDAB CCCn1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)ccc1=O 89960616 JNMBZUKHGLIRDK-CQSZACIVSA-N 329.356 1.079 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 89904236 UGUYXLFFIFXOBB-YOEHRIQHSA-N 342.395 1.754 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)C[S@@](=O)c2cccc(Cl)c2)C1 89954631 JHBOXOQMTLZNEH-XMHCIUCPSA-N 342.848 1.575 0 40 EDAB CO[C@H](CNC(=O)C(=O)NCCc1ccc(C)o1)c1ccccc1 550768562 CHLKZDRPWTXUAL-MRXNPFEDSA-N 330.384 1.751 0 40 EDAB COc1cc(CNC(=O)Cn2cccn2)ccc1OC[C@H]1CCCO1 60521876 GZVLVGOMSFAIDQ-OAHLLOKOSA-N 345.399 1.766 0 40 EDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NCc1ccccc1 42091305 SUYSAQVIQZESTB-UHFFFAOYSA-N 334.379 1.999 0 40 EDAB CN(C)C[C@H](CNc1ncnc2c1cnn2C)[C@H](O)c1ccccc1 42099610 JDYDZIQURNPSND-GOEBONIOSA-N 340.431 1.687 0 40 EDAB O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1cccnc1-n1ccnc1 67514007 WHFWBZMEOLAQOA-INIZCTEOSA-N 347.378 1.758 0 40 EDAB Cc1ccc(C(=O)CCC(=O)NCC2(C(N)=O)CCOCC2)cc1 36393609 QBINWBFCAUVXLL-UHFFFAOYSA-N 332.400 1.356 0 40 EDAB CCCN1CCN(C(=O)Cc2c[nH]c3ncccc23)C(C)(C)C1=O 186472065 QOMJGQQEKLXXQY-UHFFFAOYSA-N 328.416 1.965 0 40 EDAB COc1cccc(N2CCN(C(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)CC2)c1 71281914 UKHHLUUHDSTQKA-LSDHHAIUSA-N 332.400 1.701 0 40 EDAB Cc1cc(C(N)=O)nc([C@]2(C)CCCN2C(=O)c2cscn2)n1 72388479 MYGYSAFYWLQOPT-HNNXBMFYSA-N 331.401 1.492 0 40 EDAB COc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1 72227667 ZRDYTUZRYKIIDL-IRXDYDNUSA-N 326.352 1.882 0 40 EDAB COc1ccc(CN2CCN(C(=O)CN3CCSC3=O)CC2)cc1 38376777 HUNIEYFSDDLQQD-UHFFFAOYSA-N 349.456 1.508 0 40 EDAB CCOC(=O)CNc1c(CC)c(C)nc2cc(-c3nccn3C)nn12 72338533 JTIKJDICMZPTNL-UHFFFAOYSA-N 342.403 1.976 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2(N)C(=O)O)cc1 218644568 RZYWPJMBWLNCHT-UXLLHSPISA-N 349.383 1.856 0 40 EDAB CNC(=O)c1cc(C)nc([C@]2(C)CCCN2C(=O)c2cc[nH]n2)n1 72388391 XBBQUYXKFJTYBU-INIZCTEOSA-N 328.376 1.019 0 40 EDAB CC[C@H](CO)N1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1 78523913 UHHSWHOTYMFZJS-OAHLLOKOSA-N 330.436 1.172 0 40 EDAB CN1C(=O)N(CC(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)C(=O)C12CCCCC2 71285524 BYGPLNJADXUEPM-QLFBSQMISA-N 345.443 1.912 0 40 EDAB COc1cc(N2CCOCC2)nc(NC(=S)NCc2ccco2)n1 225910991 GNFAGHCHEMEKQE-UHFFFAOYSA-N 349.416 1.401 0 40 EDAB Cc1cc(C)n(Cc2nc(-c3ccc(N4CCOCC4)nc3)no2)n1 329599176 WQYSFZZZULGPSE-UHFFFAOYSA-N 340.387 1.830 0 40 EDAB COc1ccc(C(N)=O)c(OCC(=O)NCCc2cccs2)c1 48231186 TUYSSWGGRKGZCA-UHFFFAOYSA-N 334.397 1.593 0 40 EDAB C[C@@H](O)CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 192445019 SOMQKFBQHPGEAJ-MNOVXSKESA-N 342.237 1.708 0 40 EDAB CS(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)NCc2ccco2)cc1 134900504 MUAQGPSQBQQAJR-INIZCTEOSA-N 348.424 1.968 0 40 EDAB C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CCOCC(F)F)C1=O 225439818 XOUYXEZUEMXPKS-JTQLQIEISA-N 326.299 1.820 0 40 EDAB c1cc(CN2CCOC[C@@]3(C[C@H](CN4CCCC4)CO3)C2)ccn1 96052030 MDFLFNLRLXNNOU-RTBURBONSA-N 331.460 1.785 0 40 EDAB OCCN(CCO)Cc1ccc(Br)c2cccnc12 96501973 DOJQMLQUNLQLTQ-UHFFFAOYSA-N 325.206 1.784 0 40 EDAB O=C(C[C@H]1CO[C@@H]2CN(c3ccncn3)C[C@@H]21)NCc1cccs1 96220446 ZHHJWXREAYVRFO-NWANDNLSSA-N 344.440 1.696 0 40 EDAB CCOC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)c1cn(C)cn1)C2 96039374 FXVUTBOAPNSTTB-HIFRSBDPSA-N 343.449 1.016 0 40 EDAB O=C(N[C@H]1CN(Cc2cccs2)[C@H]2CCCO[C@@H]12)c1cnccn1 97971548 ZVOQINPAIYKALE-JYJNAYRXSA-N 344.440 1.700 0 40 EDAB Cn1cc(N2CC[C@@]3(CCN(C(=O)c4cccc(F)c4)C3)C2=O)cn1 96159561 KUPIGLWBEWAJFL-GOSISDBHSA-N 342.374 1.828 0 40 EDAB COc1cccc(CCCN2CCC[C@@H]2C(=O)N2CCOCC2)c1 96424617 OMWUAZJZJZCKQW-GOSISDBHSA-N 332.444 1.951 0 40 EDAB CS(=O)(=O)N1CCOC[C@H]1c1nccc(Nc2ccccc2)n1 96218055 RUAKIDGXXVKJQF-ZDUSSCGKSA-N 334.401 1.553 0 40 EDAB CO[C@@H](CNC(=O)N1CCN(Cc2ccncc2)CC1)C(C)(C)C 96489012 YARKKTGDLSJIEX-INIZCTEOSA-N 334.464 1.970 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(CCCN(C(=O)c3cccnc3)C2)C1 96047065 AGFUJSUBOWKYEC-INIZCTEOSA-N 337.445 1.359 0 40 EDAB Cc1cc(F)c(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)O)cc1F 578298449 NNBCZYMAWLFIPI-NSHDSACASA-N 349.355 1.526 0 40 EDAB COC(=O)c1ccc2[nH]c(CO[C@H]3CN(C(C)=O)C[C@H]3F)nc2c1 96112107 BEIRCABJWKLKIX-RISCZKNCSA-N 335.335 1.435 0 40 EDAB biogenic,in-vitro CCCN1CCCn2c(nc(CNC(=O)c3ccsc3)cc2=O)C1 96197662 KZJSBGZNHUSUQX-UHFFFAOYSA-N 346.456 1.851 0 40 EDAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC[C@@H](C)CN1CCOCC1 96490557 RITYYAOHALSFSK-CZUORRHYSA-N 349.479 1.841 0 40 EDAB NS(=O)(=O)c1cccnc1NCCCn1cnc2ccccc21 97102981 GVULFQXAVXIQNM-UHFFFAOYSA-N 331.401 1.581 0 40 EDAB CN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC(=O)N1 96423831 HEERZAMUKQRURD-QGZVFWFLSA-N 341.411 1.806 0 40 EDAB COCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1c(C)noc1C)C2 96038699 NGJUAROKDCMHBS-NVXWUHKLSA-N 337.420 1.035 0 40 EDAB O=C([C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@@H]2O1)N1CCOCC1 97953609 AAVBXYDLTRVHOB-JYJNAYRXSA-N 336.457 1.586 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(Br)cc1C 93103342 YUKBPMMQDCCIAI-OLZOCXBDSA-N 328.206 1.866 0 40 EDAB O=C(NCCN1Cc2cc(F)ccc2OCC1=O)c1ccncc1 238876745 OFXMQOQZJBMFOZ-UHFFFAOYSA-N 329.331 1.372 0 40 EDAB CCn1nnnc1-c1cccc(NC(=O)CCc2cnn(C)c2)c1 96413949 XPTKOAXPCPCOKS-UHFFFAOYSA-N 325.376 1.665 0 40 EDAB c1cnc(N[C@H]2CO[C@]3(CCCN(CC4CCOCC4)C3)C2)nc1 96048404 KKTUIYXYBNMSEK-SJLPKXTDSA-N 332.448 1.939 0 40 EDAB Cc1cc(C)n(-c2ccc(CN3CC[C@](O)(c4cnn[nH]4)C3)cc2)n1 583618450 WJTTXZUAAJUKAF-GOSISDBHSA-N 338.415 1.701 0 40 EDAB Cc1nnc(CN2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)n1C1CC1 583617877 CRPVOTQSOGSUBB-KRWDZBQOSA-N 345.451 1.577 0 40 EDAB Cc1cccc(OCCC(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)c1 583617657 AHSUYGFCMQTRCV-KRWDZBQOSA-N 330.388 1.392 0 40 EDAB Cc1ccccc1C1(C(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)CC1 583619015 UPJYJSKGQDAMJR-SFHVURJKSA-N 326.400 1.655 0 40 EDAB Cc1nc2sccc2c(=O)n1CCNC(=O)/C=C\c1cccnc1 244975258 IIMVCDADEWMION-UHFFFAOYSA-N 340.408 1.991 0 40 EDAB O=S(=O)(C1CC1)N1Cc2cccn2[C@@H](COc2ccccn2)C1 247289214 AIFAPXOCTLBESY-CQSZACIVSA-N 333.413 1.811 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NC2CC(F)(F)C2)[C@H]1c1cnn(C)c1 584328055 JLAYLIZUIGDMSS-WCQYABFASA-N 326.347 1.244 0 40 EDAB C[C@@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C1CCOCC1 253591868 RARCTNOWGHNUOX-CYBMUJFWSA-N 332.448 1.507 0 40 EDAB O=C(c1cnccn1)N1CCC(N2CCc3ccccc3C2=O)CC1 257224402 FBRLYVGMIUIAKY-UHFFFAOYSA-N 336.395 1.780 0 40 EDAB CCCS(=O)(=O)N[C@H](C)C(=O)N(Cc1cccs1)C1CC1 42776894 LVPNVGBNMNNBLV-LLVKDONJSA-N 330.475 1.957 0 40 EDAB C[C@]1(O)CN(C(=O)CCN2CCCC2=O)CC[C@@H]1Oc1ccccc1 257312483 UODQBIOLWPKDJH-LPHOPBHVSA-N 346.427 1.430 0 40 EDAB C[C@H]1COC(=O)N1c1cccc(C2CCN(S(C)(=O)=O)CC2)n1 257281965 ORTKGRODIBYQIB-NSHDSACASA-N 339.417 1.566 0 40 EDAB COC(=O)[C@@H](NC(=O)CSC[C@@H]1CCCCO1)c1ccccn1 584907195 YNBKQCRHHOLMAI-WFASDCNBSA-N 338.429 1.714 0 40 EDAB CNC(=O)[C@@H]1CN(C(C)C)CCN1C(=O)CCOc1ccccc1 257284908 PEUUMPUJAOGUJW-INIZCTEOSA-N 333.432 1.123 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3cn(C)nc3C)CCO2)n1 257231745 GIAJVDMGKPLEAA-QGZVFWFLSA-N 343.431 1.712 0 40 EDAB C[C@@H]1NC(=O)[C@H](C)N(C(=O)NCCCOCC(F)(F)F)[C@@H]1C 585137575 HJYHNRTUNAAAJQ-AEJSXWLSSA-N 325.331 1.262 0 40 EDAB CC[C@@H](NC(=O)N1CCC(O)(C(N)=O)CC1)c1ccc(Cl)cc1 585137623 KFEHISIYLAVLPZ-CYBMUJFWSA-N 339.823 1.813 0 40 EDAB COCc1ccccc1S(=O)(=O)N1CCO[C@H]1C(F)(F)F 585129487 LHQNLTFACGIDBX-NSHDSACASA-N 325.308 1.742 0 40 EDAB C[C@H](CCc1ccc(O)cc1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 42868830 VLLCLOGCPHXBJI-DGCLKSJQSA-N 326.418 1.200 0 40 EDAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CN3CCN(C(C)C)CC3)C2)n1 257296362 RCMKCNVZWKINTL-MRXNPFEDSA-N 333.480 1.450 0 40 EDAB CN(C)c1cc([C@@H]2CCCN2C(=O)Cn2cccnc2=O)ccn1 257303868 SJCNEPYQJYEWAY-AWEZNQCLSA-N 327.388 1.068 0 40 EDAB CCn1nc(C)c(S(=O)(=O)Nc2cccc(C(=O)OC)c2)c1F 252489620 JUWAPCMTVOPMDN-UHFFFAOYSA-N 341.364 1.938 0 40 EDAB CN([C@H](C(=O)NCCc1ccccc1)c1ccccc1)S(C)(=O)=O 260845564 TZGOLOQWCNPWEE-KRWDZBQOSA-N 346.452 1.978 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(c3cc(N4CCCC4)ncn3)CCO2)n1 277458597 NVGVMWZUBITPPN-INIZCTEOSA-N 342.447 1.796 0 40 EDAB CCOC(=O)C(F)(F)C1(O)CCN(C(=O)CCc2ccco2)CC1 1615586468 OHJVRSVTLVOGOD-UHFFFAOYSA-N 345.342 1.764 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)N2CCC3(CC2)NC(=O)CO3)c1 1615592346 SNXFHJSDKNMVKY-UHFFFAOYSA-N 340.383 1.259 0 40 EDAB CCc1cccc(CC)c1S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 605584271 MAJOFAFBFXDORG-AWEZNQCLSA-N 345.486 1.619 0 40 EDAB Cc1occc(=O)c1OCC(=O)N[C@H]1CCC(=O)N[C@@H]1C(C)(C)C 1615039032 ICQXPKNSIMMIMZ-ZBEGNZNMSA-N 336.388 1.137 0 40 EDAB COc1c(C(=O)N[C@H](C)C(=O)N2CCc3ccccc32)cnn1C 1615049985 GIRPWENUJSERPJ-LLVKDONJSA-N 328.372 1.136 0 40 EDAB Cn1cc(-c2noc(CNC(=O)COc3ccc(Cl)cc3)n2)cn1 390829604 FIPHJPNCMBOYMH-UHFFFAOYSA-N 347.762 1.819 0 40 EDAB COC[C@@H]1Cc2c(ncn2C)CN1C(=O)Cc1ccc(F)cc1OC 585094785 MUPZPLKWIJPCMB-AWEZNQCLSA-N 347.390 1.710 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cccs2)[C@@H]2CCO[C@@H]12 585109402 NISAHPBYMGXXEP-NFAWXSAZSA-N 346.408 1.887 0 40 EDAB Cc1cc(CN2CCn3c(COCC4CC4)nnc3C[C@H]2C)n(C)n1 585096820 BDVPNNMSCLIUNR-CQSZACIVSA-N 344.463 1.693 0 40 EDAB CN1C[C@@H](COc2cccnc2)CC12CN(c1ncc(F)cn1)C2 585093747 BUWNTZARUCKZNP-ZDUSSCGKSA-N 329.379 1.600 0 40 EDAB CCCN(CCO)CC(=O)N1CCN(Cc2ccccc2F)CC1 53094429 GBAVQXYPGBVBJW-UHFFFAOYSA-N 337.439 1.174 0 40 EDAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)CC(=O)N(C)C 58282086 DEDWJUHUTSQTKO-LLVKDONJSA-N 329.408 1.278 0 40 EDAB O=C(CNS(=O)(=O)c1cc(F)ccc1F)NC1CCCCC1 58324376 DOVCBFWBDXXBDE-UHFFFAOYSA-N 332.372 1.692 0 40 EDAB CCS(=O)(=O)Nc1ccccc1C(=O)NCCN1CCCCC1 58307680 DNSMYZIHCFCJKA-UHFFFAOYSA-N 339.461 1.664 0 40 EDAB O=C(O)[C@@H]1CCN(C(=O)/C=C/c2c(Cl)nc3sccn23)C1 62117850 MYPFGLCMOLPDPQ-FHKCNRDCSA-N 325.777 1.996 0 40 EDAB O=C(Nc1nnc2ccccn12)c1ccc(-n2cnnn2)cc1Cl 69371606 YNUVJRCCOSNYLB-UHFFFAOYSA-N 340.734 1.611 0 40 EDAB Cc1ccc([C@H](C)NC(=O)CN2CCN(C[C@H](C)O)CC2)cc1C 69652301 RGBLYMWYAHMUKS-IRXDYDNUSA-N 333.476 1.479 0 40 EDAB CCCCS(=O)(=O)N1CCN(CCn2nc(C)cc2C)CC1 75156490 SCOISZLMINLQPG-UHFFFAOYSA-N 328.482 1.247 0 40 EDAB Cc1cccc2nc(NC[C@]3(c4nccn4C)NC(=O)NC3=O)oc12 1615614899 KLFNHKCFBYPYFL-MRXNPFEDSA-N 340.343 1.017 0 40 EDAB COC(=O)CN1C(=O)S/C(=C/c2cc(OC)cc(OC)c2)C1=O 8107577 MTXQZKATBDEBQA-WUXMJOGZSA-N 337.353 1.913 0 40 EDAB CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1 5966193 VKLBGDFVNLUPOP-UHFFFAOYSA-N 344.742 1.639 0 40 EDAB CNC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)CC(=O)c1cc(C)ccc1O2 12086717 NJONWAYDCBHDNO-YJYMSZOUSA-N 344.411 1.846 0 40 EDAB CCc1nn(CC(=O)N2CCCC2)c(=O)c2cc3oc(C)cc3n12 12115522 HSWFGFZKEYNMFS-UHFFFAOYSA-N 328.372 1.735 0 40 EDAB Cn1cc(C2=NO[C@H](C(=O)NCCCc3ccc(F)cc3)C2)cn1 12193560 BFGZNPCEPJZWPO-INIZCTEOSA-N 330.363 1.801 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19347221 PIZPQHPWCGDULG-OAHLLOKOSA-N 327.384 1.808 0 40 EDAB CN1CCC[C@@H](NC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@@]32C)C1 19576162 GMUNRPOIMCTCMF-YBJLUAFYSA-N 341.411 1.284 0 40 EDAB CC(=O)NCC[C@H]1CCCCN1Cc1ccnc(N2CCCC2)n1 19748915 DSWQSYPBQANRDS-QGZVFWFLSA-N 331.464 1.958 0 40 EDAB C[C@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)sc2C1 16847793 YLOUBKGLTFCHTO-GXSJLCMTSA-N 343.474 1.630 0 40 EDAB Cn1cc(C(=O)NC[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cn1 643585124 KKURUSDCHLHSQH-CSMYWGQOSA-N 347.390 1.898 0 40 EDAB Clc1cnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)nc1 1888842548 ISLXMNFAKQUCPZ-UHFFFAOYSA-N 345.838 1.847 0 40 EDAB CCCN(CCC(=O)NC(N)=O)Cc1nnc(-c2cccs2)o1 28970170 FLYVSSDDXOJJDV-UHFFFAOYSA-N 337.405 1.595 0 40 EDAB O=S(=O)(N[C@@H]1CCn2nccc2C1)c1ccc(F)c(Cl)c1 240178578 ZAXFMFVFKTZSRV-SECBINFHSA-N 329.784 1.969 0 40 EDAB O=C(c1cc[nH]c1)N1CCCn2nnc(COc3ccccn3)c2C1 1565547082 KCIRNOXGUFHBAN-UHFFFAOYSA-N 338.371 1.626 0 40 EDAB O=C([C@H]1[C@H]2COC[C@H]21)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 1565549970 LMYLHDJOBZKFLC-VRXFMZDNSA-N 330.384 1.111 0 40 EDAB COCCN1CC[C@@]2(CN(C(=O)C3CC3)C[C@@H]2c2ccccc2)C1=O 2055781411 AVCHAANZQYDISW-XLIONFOSSA-N 342.439 1.888 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)CO[C@H](COc1ccccn1)C2 2055806568 JUJSHOITAOLKQB-CVEARBPZSA-N 346.427 1.895 0 40 EDAB O=S(=O)(Cc1cccc(F)c1)N1CC(n2cc(C3CC3)nn2)C1 585394210 QHCNNVQNNPGNMO-UHFFFAOYSA-N 336.392 1.681 0 40 EDAB O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1Cn1nccn1 618255625 UULMYIDOONEPIE-NSHDSACASA-N 326.809 1.785 0 40 EDAB COC[C@](C)(CNS(=O)(=O)c1ccc(F)c(Cl)c1)OC 575613034 PGBLNSDMOOITQU-LBPRGKRZSA-N 325.789 1.809 0 40 EDAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccccc1 9136571 UOACQXHADACNDI-UHFFFAOYSA-N 338.367 1.471 0 40 EDAB Nc1nccnc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 30173625 XAPCNORSUQXNCL-GFCCVEGCSA-N 327.344 1.429 0 40 EDAB Nc1nccnc1C(=O)NCc1cccc(NC(=O)C2CCC2)c1 30118404 YOEDRVHZUVZRBM-UHFFFAOYSA-N 325.372 1.727 0 40 EDAB Cc1n[nH]c2c1[C@@H](c1ccccc1OCC(=O)O)C1=C(COC1=O)N2 20086340 JRSNHGCAJGAJGJ-CQSZACIVSA-N 341.323 1.550 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(-n2cnnn2)cc1 40113234 NLCWILBEFXHARR-XJKSGUPXSA-N 329.404 1.987 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)[C@@H]1CCc2ccccc21 30980421 INWJJLHTNZODRB-OAHLLOKOSA-N 327.384 1.450 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccnc1Nc1ccccc1F 40467873 JQZJGDSZOCRNDT-NSHDSACASA-N 349.387 1.881 0 40 EDAB O=C1/C(=C\c2ccc3c(c2)OCO3)NC(=S)N1CN1CCCCC1 20366933 NFOBDGGGKCOUEZ-MDWZMJQESA-N 345.424 1.916 0 40 EDAB COc1ccc(CCC(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cc1OC 100712347 WOCAVNTUXROEQQ-ZDUSSCGKSA-N 346.383 1.043 0 40 EDAB O=C(CS(=O)(=O)c1cccs1)Nc1ccc2c(c1)OCCO2 11666472 VRNHFROVDWSKDB-UHFFFAOYSA-N 339.394 1.932 0 40 EDAB CCOC(=O)CCNC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 60113911 UZMLXQWLLQZXJT-UHFFFAOYSA-N 345.399 1.856 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 60141521 UVLSQSCHGFZCEK-AWEZNQCLSA-N 339.436 1.467 0 40 EDAB CC(C)[C@H](NC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O)C(=O)O 1668492 JBLZLVXVKCRJPR-KBPBESRZSA-N 346.383 1.533 0 40 EDAB CCOC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4024289 VDLSNXQRYWSHGB-GGXPGOJBSA-N 348.395 1.853 0 40 EDAB Nc1nccnc1C(=O)NCc1nnc2ccc(C(F)(F)F)cn12 21446226 ILZWVZUCMHKFME-UHFFFAOYSA-N 337.265 1.050 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2)C1=O 21559237 KBEQOGNQTKKORK-MLGOLLRUSA-N 338.791 1.800 0 40 EDAB CC(C)c1noc(CN2CCN(Cc3ccn(C)c(=O)c3)CC2)n1 52490908 BIJHPAJZKBJDAK-UHFFFAOYSA-N 331.420 1.210 0 40 EDAB Cc1ncc2c(n1)CN(CC(=O)NCCCOC1CCCCC1)CC2 75584811 ZSKJRAAPDDAIHA-UHFFFAOYSA-N 346.475 1.999 0 40 EDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc2c(c1)CCC2 7866168 VJKWPPHEQCMCPC-MRVPVSSYSA-N 330.417 1.644 0 40 EDAB O=c1cc(CN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)nc2ccccn12 52850190 MNKQFHSRGGQDJF-IRXDYDNUSA-N 343.427 1.855 0 40 EDAB COc1ccc(OC)c([C@H](O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 103507329 NMRMPLQIAQLEOC-VNHYZAJKSA-N 333.384 1.912 0 40 EDAB Cn1c(=O)c2c(nc3n2CCN3c2ccc(Cl)cc2)n(C)c1=O 3015649 XTVQJIITIKSQPO-UHFFFAOYSA-N 331.763 1.239 0 40 EDAB O=C(c1ccccc1)N1CCN(C[C@H](O)COCc2ccco2)CC1 23409485 BLTRYLZGYPJPFO-KRWDZBQOSA-N 344.411 1.615 0 40 EDAB Cc1sc(NC(=O)c2ccccc2)c(C(=O)NC[C@@H](O)CO)c1C 3141990 UGZGLEZTNODHHY-CYBMUJFWSA-N 348.424 1.700 0 40 EDAB CN(CCO)[C@@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 3180624 OVKVLDCHODEXPC-SFHVURJKSA-N 348.468 1.804 0 40 EDAB CC(=O)N[C@@H](C)C(=O)NCC(=O)Nc1ccccc1Br 24682371 SXEITVWQKIWIJK-QMMMGPOBSA-N 342.193 1.028 0 40 EDAB COCCN1CC[C@]2(CCCN(C(=O)C3CCOCC3)CC2)C1=O 108531229 BRAWSUCSXTVWLS-GOSISDBHSA-N 338.448 1.291 0 40 EDAB O=C(CN1CSCC1=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 55943679 HUKLQCYMRLHZNC-CZUORRHYSA-N 338.404 1.695 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)CCO1 43702549 ZDLVZQPYELWSEZ-JTQLQIEISA-N 332.125 1.514 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 78890019 RYSQQYZTCVQQPU-AWEZNQCLSA-N 348.378 1.875 0 40 EDAB C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O 1854211 LZFZMUMEGBBDTC-CFVMTHIKSA-N 348.399 1.126 0 40 EDAB biogenic Cc1cc(C)cc(OCCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 44669457 ZSFJEOZUQPYUEW-INIZCTEOSA-N 325.430 1.766 0 40 EDAB COC(=O)c1ccccc1S(=O)(=O)NNc1ccc(Cl)nn1 68706763 OVFSJCFYAVBTDE-UHFFFAOYSA-N 342.764 1.222 0 40 EDAB CC(C)CCO[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 58023625 CXNWVTURBCPMQO-CYBMUJFWSA-N 342.461 1.444 0 40 EDAB O=C(CNC(=O)C1CCCCC1)NC[C@@H]1COc2ccccc2O1 10032629 VMBFKSJZDQXMOY-CQSZACIVSA-N 332.400 1.639 0 40 EDAB Cc1nc(COc2ccc(C(=O)N3CCN(C4CC4)CC3)cc2)no1 58136485 YCONKUFQUUBSCB-UHFFFAOYSA-N 342.399 1.877 0 40 EDAB CN1CCO[C@@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)C1 58136360 PUKSFEFIWIOHFP-HNNXBMFYSA-N 329.400 1.721 0 40 EDAB COc1ccc(CCCN(C)C(=O)NC[C@H]2CN(C)CCN2C)cc1 110585624 GWPJFDCEOLCHAS-KRWDZBQOSA-N 348.491 1.515 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(C)=O)C1=O 3385247 HFKQCNHVSUNMDT-UHFFFAOYSA-N 345.355 1.419 0 40 EDAB Cc1noc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)n1 44907251 KNVRZYYZQHTXDD-INIZCTEOSA-N 326.400 1.927 0 40 EDAB CN(C)[C@H](CNC(=O)c1cccc(N2CCNC2=O)c1)c1ccco1 44936643 NJMJXHWNDMNDQE-OAHLLOKOSA-N 342.399 1.842 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)NC1CCN(c2ncccn2)CC1 44948572 IYJZPSFHINACTB-MRXNPFEDSA-N 341.415 1.478 0 40 EDAB O=C(NCCNc1cnccn1)c1cccc(N2CCCC2=O)c1 44911164 PQGVQMAUDZWAHW-UHFFFAOYSA-N 325.372 1.445 0 40 EDAB O=C1NCCN1C1CCN(Cc2cnn(-c3ccccc3)n2)CC1 44976178 JZPMAQGNOGHIMF-UHFFFAOYSA-N 326.404 1.257 0 40 EDAB COCCOCCC(=O)N1CCc2cc(OC)c(OC)cc2CC1 58404858 LYTYWAAEWUZFEA-UHFFFAOYSA-N 337.416 1.684 0 40 EDAB O=C(NCC[C@@H]1CCCO1)c1cccc(N2CCCS2(=O)=O)c1 58403651 YWPKVNOBKHWUHU-HNNXBMFYSA-N 338.429 1.525 0 40 EDAB C[C@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)[C@@H](C)CO1 45449384 YQZZKDQKMBMCCT-STQMWFEESA-N 338.429 1.476 0 40 EDAB CC(=O)N(CCCNC(=O)c1nn(C)c(=O)c2ccccc12)C(C)C 48303249 DIEQJNLZUIMAAK-UHFFFAOYSA-N 344.415 1.310 0 40 EDAB CCCOC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 2480885 MQAMAOUZRULXGG-UHFFFAOYSA-N 326.146 1.998 0 40 EDAB COc1ccc(OCCOC(=O)c2nc3nccc(C)n3n2)cc1 3431862 CZYARUXRHCOEKM-UHFFFAOYSA-N 328.328 1.677 0 40 EDAB O=S(=O)(NCc1nnc2n1CCCCC2)c1ccc(F)cc1F 13004665 GWQUQJMPFBTUJS-UHFFFAOYSA-N 342.371 1.761 0 40 EDAB Cc1cnn(C[C@@H]2CN(CCC(=O)Nc3cc(C)on3)CCO2)c1 69877076 NVDZNNQUHJDYNC-AWEZNQCLSA-N 333.392 1.218 0 40 EDAB CNC(=O)NC(=O)[C@H](C)NCC1(N2CCSCC2)CCCCC1 69874084 MESAJNFIMCKHRP-ZDUSSCGKSA-N 342.509 1.172 0 40 EDAB O=C(Cc1ccccc1)N[C@@H](CCCCCP(=O)(O)O)C(=O)O 4029386 FDQHCBNEKYIVHI-ZDUSSCGKSA-N 343.316 1.537 0 40 EDAB biogenic CCOC(=O)c1sc2[nH]c([C@H](C)NCCOC)nc(=O)c2c1C 49552998 GWWWBMPDHIABAA-VIFPVBQESA-N 339.417 1.767 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(CCC(=O)Nc2cccc(F)c2)C1 69416529 PEKIUEYIMXPLAT-CQSZACIVSA-N 343.424 1.168 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H]1CCCN(c3nccs3)C1)C2 69486193 BWHDQRCVANDYKB-GFCCVEGCSA-N 346.460 1.556 0 40 EDAB O=C(C1CCN(c2cnccn2)CC1)N1CCC[C@@H](n2cccn2)C1 69418556 RRRHLVUIDWLMCQ-MRXNPFEDSA-N 340.431 1.753 0 40 EDAB CCn1ccnc1CN1CCN(CCC(=O)NC2CCCCC2)CC1 69443073 UYJGQVJKWXUPRM-UHFFFAOYSA-N 347.507 1.860 0 40 EDAB O=C(c1ccoc1)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 69487263 CMGLHWPAJCAQTI-AWEZNQCLSA-N 334.397 1.863 0 40 EDAB Cn1nc(C(=O)Nc2cc(-c3c(F)cccc3F)[nH]n2)ccc1=O 69435754 MHMMQRKQYZPWOV-UHFFFAOYSA-N 331.282 1.701 0 40 EDAB O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)Nc1cccnc1 69951182 YHOTXRCYZDXILK-GOSISDBHSA-N 340.427 1.371 0 40 EDAB CCN1C[C@@H](C(=O)NCCNc2ncc(Cl)cc2Cl)CC1=O 65403766 HHVITFXBVZJORE-VIFPVBQESA-N 345.230 1.785 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@H]1CCOC1)c1cccc(Br)c1 69927708 BAXDWTVKULTUJA-ONGXEEELSA-N 327.178 1.128 0 40 EDAB COc1c(CN[C@H]2CCCN(S(C)(=O)=O)C2)c(C(C)C)nn1C 65520805 WJKYTWHUTIWGEP-LBPRGKRZSA-N 344.481 1.066 0 40 EDAB Oc1nnc(-c2ccccc2)c2c1Nc1nnnn1[C@H]2c1cccnc1 112000140 FWQFMRJRJBSAJE-HNNXBMFYSA-N 344.338 1.925 0 40 EDAB CCCCn1c(N)c(N(CCC)C(=O)c2cnoc2C)c(=O)[nH]c1=O 14142198 DUAADCOXUFHCGN-UHFFFAOYSA-N 349.391 1.272 0 40 EDAB CC(C)CNC(=O)CNC(=O)N[C@@H](C)COc1ccccc1F 65620878 INTGIKDKJIXZLM-LBPRGKRZSA-N 325.384 1.664 0 40 EDAB C[C@@H]1CN([C@H](C(N)=O)c2ccccc2)CCN1Cc1nccn1C 69510960 OTGDYLRIWVJCHC-PBHICJAKSA-N 327.432 1.153 0 40 EDAB CN(C)C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(OCC(N)=O)cc1 69585973 HNFSDVPYGIHUSU-KXKDPZRNSA-N 345.443 1.507 0 40 EDAB Cc1cnc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cn1 14829677 ZGNRRNNAJSAYES-UHFFFAOYSA-N 346.412 1.822 0 40 EDAB CN(CC(=O)N1CCOCC1)[C@H](c1ccccc1)c1ccccn1 66541902 LMKZESYSEHZDIQ-LJQANCHMSA-N 325.412 1.962 0 40 EDAB CN(CCc1ccccn1)C(=O)CNC(=O)NCC1(C)CCCC1 66598706 XAVZPTVRCSDSJG-UHFFFAOYSA-N 332.448 1.962 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)N[C@H](C)c1cn(C)nc1C 69651042 XPDCLSYCLYOQGX-SECBINFHSA-N 331.376 1.719 0 40 EDAB CCN1CCN(C2CCN([C@@H](C)C(=O)Nc3ncccn3)CC2)C1=O 69600102 HZSKLTMBWYAJRI-ZDUSSCGKSA-N 346.435 1.026 0 40 EDAB CCOCCN1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 69627188 YUFULAUBRONOEK-ROUUACIJSA-N 337.508 1.822 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1ccccc1N1CCOCC1)CC2 69661118 OYHPYZXJGVMESU-INIZCTEOSA-N 341.459 1.782 0 40 EDAB CCOC(=O)[C@@H](C)n1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1 69663221 BULBBBYXAVBWFG-UKRRQHHQSA-N 345.403 1.371 0 40 EDAB C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)NC1CC1 8735897 PTBIZRWSOJUWGA-DYZYQPBXSA-N 346.408 1.826 0 40 EDAB Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@@H](C)C(=O)N(C)C)c1 69740187 HQUOMPWEVVHERL-DOTOQJQBSA-N 331.460 1.942 0 40 EDAB Cc1nc(CN2CCC[C@@H](NCc3nnc(-c4ccco4)o3)C2)no1 69776611 MIGQGHXNVMVSES-GFCCVEGCSA-N 344.375 1.775 0 40 EDAB CC[C@H]1CCCCN1CCNC(=O)Cn1ncc(=O)c2ccccc21 69737411 MIHBUNPNZXFLMD-HNNXBMFYSA-N 342.443 1.777 0 40 EDAB CCCNC(=O)CSc1nnc(COc2cc(C)cc(C)c2)n1N 7314959 DBQJRHMIZCRURY-UHFFFAOYSA-N 349.460 1.806 0 40 EDAB Cc1nc2c(c(NCc3csc(N4CCOCC4)n3)n1)CCNC2 67947620 VEUWUCQWVKOTFF-UHFFFAOYSA-N 346.460 1.336 0 40 EDAB CCOC(=O)CSCC1=C(C(=O)OCC)[C@@H](CC)NC(=O)N1 7506472 SUESRXYVYMFMBG-SECBINFHSA-N 330.406 1.191 0 40 EDAB NC(=O)[C@@H]1CN(C(=S)NCCc2ccccc2)c2ccccc2O1 7558389 MSVHYZRWDJWCEK-INIZCTEOSA-N 341.436 1.857 0 40 EDAB O=C(Cn1nc(-c2ccco2)ccc1=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 61721972 YOBAGYOIGXEWRY-RDBSUJKOSA-N 325.368 1.832 0 40 EDAB Cc1cccc(-c2cccc(CNC(=O)CNS(C)(=O)=O)c2)c1 71185158 SCRFKHPWEIUTOG-UHFFFAOYSA-N 332.425 1.827 0 40 EDAB CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)Cc2ccc(F)cc2F)C1 97054211 WMHCAACIFVRLRT-LBPRGKRZSA-N 346.399 1.595 0 40 EDAB Cn1nc2n(c1=O)CCN(Cc1c(F)cccc1Br)C2 93241341 BUNBVRINBXUPRE-UHFFFAOYSA-N 341.184 1.499 0 40 EDAB C[C@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)N1CCNC1=O 9363844 RRFWZCAPODDSBF-QMMMGPOBSA-N 330.373 1.243 0 40 EDAB CCCNC(=O)Nc1cccc(OC(=O)[C@H]2CCCN(C(N)=O)C2)c1 72271784 FFFOSQQKGNNCIK-LBPRGKRZSA-N 348.403 1.914 0 40 EDAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccccc1-n1cnnn1 9453804 DVYWQQLVAVAFNX-UHFFFAOYSA-N 333.315 1.095 0 40 EDAB Cc1nc(C2(NC(=O)Cn3cc(CCO)cn3)CCCCCC2)no1 97115079 FEQAKYFVIBPZFX-UHFFFAOYSA-N 347.419 1.475 0 40 EDAB CCc1ccc(CC(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 96422317 DMXQXRMTNOHNGM-UHFFFAOYSA-N 338.473 1.579 0 40 EDAB CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)CN1C(=O)CCC1=O 71898286 QUEAAXYOEHTCAK-CYBMUJFWSA-N 344.333 1.647 0 40 EDAB CC(C)(CC(=O)N1CCC[C@H](CS(N)(=O)=O)C1)c1ccccc1 71896328 LWCLTRQRWXQZGR-AWEZNQCLSA-N 338.473 1.881 0 40 EDAB COC(=O)[C@H](OC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 23222882 VVRRDRJCAXGGHH-GOSISDBHSA-N 341.363 1.803 0 40 EDAB CSCc1ccnc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1 71911129 AMXBNJNNVPEFPP-LBPRGKRZSA-N 343.474 1.697 0 40 EDAB CCn1cc(Br)c(=O)c(NC(=O)[C@H]2CCCOC2)c1 97110914 WMHCCFUWPWNHNY-VIFPVBQESA-N 329.194 1.996 0 40 EDAB CC(=O)N[C@H](C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)C(C)C 9709269 NXCWEKGCTFGVEQ-HNNXBMFYSA-N 342.403 1.774 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(OCC3CC3)nc2)C[C@@H]1N1CCOCC1 72300415 LJTOOWPWLHIJNK-PBHICJAKSA-N 345.443 1.663 0 40 EDAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)CO)c2)cc1 97203316 LZADVSCIDCREDM-ZDUSSCGKSA-N 348.424 1.906 0 40 EDAB C[C@H](CS(C)(=O)=O)N(Cc1nc(N)c2ccccc2n1)C1CC1 97370601 AETGKTOLVPLXPN-LLVKDONJSA-N 334.445 1.610 0 40 EDAB CCCCC[C@H](C)CC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 79585536 CXVITJMJXYRSIL-UONOGXRCSA-N 333.498 1.625 0 40 EDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cnn(-c2ccccc2)c1 79806329 VNBXGUGIJZKOSG-OAHLLOKOSA-N 327.388 1.861 0 40 EDAB CCN(C[C@H]1CN(CCc2ccccn2)CCO1)c1cccnn1 84774614 LSUWORDIFCRHKZ-QGZVFWFLSA-N 327.432 1.641 0 40 EDAB Cc1nc(S(=O)(=O)Cc2nccn2C)n(C[C@H]2CCCO2)c1C 95412158 IJBFUJHTNVBERD-CYBMUJFWSA-N 338.433 1.386 0 40 EDAB O=C1C[C@@H](Nc2ncnc3c2cnn3-c2ccccc2)CN1C1CC1 95406855 AZCHTPVQXFAIHT-GFCCVEGCSA-N 334.383 1.991 0 40 EDAB COC(=O)CC1CCN(C(=O)c2cc(F)ccc2-n2cnnn2)CC1 95479928 WIEHTAKVHITSOU-UHFFFAOYSA-N 347.350 1.217 0 40 EDAB C[C@H](O)C(=O)N1CCN(C(=O)CCc2ccc3ccccc3c2)CC1 95451927 GUMLPDHWEDVDOQ-HNNXBMFYSA-N 340.423 1.824 0 40 EDAB O=C(NC1CCCC1)[C@H]1CCCN1C(=O)Cc1cn2ccsc2n1 95408412 KXTUCLSQHACWBE-CQSZACIVSA-N 346.456 1.988 0 40 EDAB O=c1[nH]c(NCc2nncn2C2CC2)nc2c1cnn2-c1ccccc1 95403227 LEVNCCYKEMNHMY-UHFFFAOYSA-N 348.370 1.647 0 40 EDAB C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc(F)c(Br)c1 95450091 QQPYIDFIIAYNBB-PSASIEDQSA-N 332.169 1.810 0 40 EDAB O=c1[nH]c(=O)n(Cc2cc(Cl)cc3c2OCOC3)cc1Cl 85253656 HLPHDAGDJZZJCV-UHFFFAOYSA-N 329.139 1.758 0 40 EDAB CCS(=O)(=O)CC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 89272301 DYIULBNFIBIASK-GDBMZVCRSA-N 336.457 1.564 0 40 EDAB Cc1ccc(CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1O 89433647 IKEWRGKHDICXCM-MRXNPFEDSA-N 332.400 1.093 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N1CCCC[C@H]1CN1CCOCC1 75146792 ARGAZUYUOQXDGJ-CVEARBPZSA-N 335.452 1.168 0 40 EDAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC[S@@](=O)[C@H](C)[C@@H]2C)C1 75142673 BGCXNILGHHOWQP-BAYBQNOYSA-N 342.505 1.639 0 40 EDAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCc1nnc2n1CCCCC2 89917583 IBGGLIQGUHXOAX-GLQYFDAESA-N 333.436 1.617 0 40 EDAB Cn1cncc1CCNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 544356839 BRRXNPIZYOWTPF-QGZVFWFLSA-N 346.406 1.291 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)c1ccsc1)Oc1ccc(F)cc1 551996130 OKGYJHQPNVHJPB-GFCCVEGCSA-N 345.373 1.698 0 40 EDAB Cc1cc(CS(=O)(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)on1 547565537 NLBCGAIXBBEBFM-ZDUSSCGKSA-N 342.348 1.237 0 40 EDAB Cc1nccn1C[C@H](C)CNC(=O)N1CCC[C@H](Cn2ccnn2)C1 124504935 ISDWNXWURUSGMF-ZBFHGGJFSA-N 345.451 1.541 0 40 EDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2noc(C3CC3)n2)C1 547683683 YKJVXOUBWFZSDU-MRXNPFEDSA-N 347.444 1.949 0 40 EDAB Cn1cncc1[C@H]1C[C@H](NC(=O)c2cccc3c2OCO3)CCO1 548342135 LDNGTGPINIMEGQ-IAQYHMDHSA-N 329.356 1.799 0 40 EDAB O=C1COc2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2N1 32893715 LLEGPQZQTKZVGG-LLVKDONJSA-N 343.383 1.747 0 40 EDAB O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cc2c(nc1O)CCCC2 532598902 MVOBGDZUWSQRTN-CYBMUJFWSA-N 348.399 1.762 0 40 EDAB C[C@H](N)C(=O)N1CC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 79413061 AZMXTTOLMYGCJD-GOEBONIOSA-N 345.443 1.983 0 40 EDAB Cc1nc([C@@H](NC(=O)Cn2nnc3ccccc32)c2ccccc2)n[nH]1 78406440 KZZZIVGXUWDSQJ-KRWDZBQOSA-N 347.382 1.764 0 40 EDAB C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1[C@@H](CCc1ccccc1)C(=O)O 77292060 PDBULCBUWNSQTL-QEJZJMRPSA-N 330.384 1.294 0 40 EDAB in-vitro Cc1nc([C@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2F)no1 79351092 UNEIYKBKJVTQPJ-CQSZACIVSA-N 343.318 1.130 0 40 EDAB Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cn(Cc3ccccc3)nn1)C2 30784120 PDRYHIZQCIHAQW-MRXNPFEDSA-N 348.410 1.712 0 40 EDAB CS(=O)(=O)CCC(=O)N1C[C@H](n2cccn2)Cc2ccccc21 72526931 YMMXWECVMDWSFM-CQSZACIVSA-N 333.413 1.448 0 40 EDAB O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccccc1 72320179 AJVFRMRGYXQCPD-JKSUJKDBSA-N 329.352 1.108 0 40 EDAB COc1ccc(C(=O)Nc2ccc(-n3nnn(C)c3=O)cc2)cc1 75163064 FDSGYOZFIXGKKS-UHFFFAOYSA-N 325.328 1.227 0 40 EDAB COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(N)cc1 225314036 QFOUXGDQNXRWRS-UHFFFAOYSA-N 334.397 1.946 0 40 EDAB CN1CCN(C[C@@H](O)CN(C)c2ccnc3c(F)cccc23)CC1 195578583 TYWRUBANMVVFTI-AWEZNQCLSA-N 332.423 1.418 0 40 EDAB O=C(NCCCc1cnc2ncnn2c1)c1cnn(-c2ccccc2)n1 225644297 WVDGPNOCSBSIGY-UHFFFAOYSA-N 348.370 1.068 0 40 EDAB C[C@@H]1Oc2c(cccc2C(=O)N(CC(=O)O)C2CCOCC2)NC1=O 531747819 CBBUCWFYUCSLPH-JTQLQIEISA-N 348.355 1.112 0 40 EDAB O=C(Cc1ccc(F)cc1)NCc1nccc(N2CCOCC2)n1 96120877 IBEDSOIRGTXTFH-UHFFFAOYSA-N 330.363 1.311 0 40 EDAB Cn1nnc2c1[C@H](COCC1CC1)CN(C(=O)Cc1ccsc1)C2 96045479 MMWRLNIQWWPEGY-AWEZNQCLSA-N 346.456 1.972 0 40 EDAB CCCS(=O)(=O)N1CCc2c(CNc3ncccn3)cncc2C1 96067451 IJYVJEVQWOMGIU-UHFFFAOYSA-N 347.444 1.582 0 40 EDAB Cn1ccnc1CN1CCC[C@@]2(COCCN(c3nncs3)C2)C1 96229254 YIUBFLZFYILBHY-MRXNPFEDSA-N 348.476 1.391 0 40 EDAB Cc1nccn1Cc1cccc(CNc2nc3c(cnn3C)c(=O)[nH]2)c1 96453414 BOGJKQWMKGHXNV-UHFFFAOYSA-N 349.398 1.822 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c(C)[nH]c3ccccc23)C1 92771713 LXESUUAEUWHZIK-GFCCVEGCSA-N 335.429 1.630 0 40 EDAB O=S(=O)(c1ccccc1)N1CCCN(CCCn2ccnc2)CC1 96493046 BJNZNUZLVOIAOY-UHFFFAOYSA-N 348.472 1.670 0 40 EDAB COc1ccc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)cn1 95477382 QKBOUCVPCPQZIH-UHFFFAOYSA-N 340.339 1.500 0 40 EDAB Cc1noc(C)c1CN1CCO[C@@H]2[C@@H]1CC[C@H]2OCC(=O)N(C)C 96041562 ACPGGOQXBXIYES-ZMSDIMECSA-N 337.420 1.128 0 40 EDAB CN(C)CCN1CCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1=O 96157750 PFPMSIRPMZWKMD-UHFFFAOYSA-N 347.434 1.842 0 40 EDAB CCOc1cc(C(=O)N2CCN(c3cccc(OC)c3)CC2)ncn1 244970112 HKKHZIVXVLOINZ-UHFFFAOYSA-N 342.399 1.846 0 40 EDAB Cc1ncoc1C(=O)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 248069879 YCVHKRQYFSUQFH-CQSZACIVSA-N 343.383 1.826 0 40 EDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCc2ccccn2)c1 257325309 WSJSNQBTWKGGMQ-UHFFFAOYSA-N 349.394 1.833 0 40 EDAB O=C1C[C@@H](CNS(=O)(=O)C2CC2)[C@H](c2cccnc2)N1C1CC1 584718389 SUJAWQRXHKCPRL-LRDDRELGSA-N 335.429 1.215 0 40 EDAB Nc1cc(CC[C@H]2CN(C(=O)CCn3ccnc3)CCO2)ccn1 257239987 HRQLBRCECTUECT-HNNXBMFYSA-N 329.404 1.111 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CC[C@H](N3CCN4C(=O)CC[C@H]4C3)C2)cn1 585079714 YRNRCQGSQOINPY-IKGGRYGDSA-N 342.443 1.348 0 40 EDAB CNc1cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)ccn1 257287752 PRJFGGDIKKEFBU-CYBMUJFWSA-N 335.433 1.425 0 40 EDAB NC(=O)N1CC[C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 585115232 RWIGQJMHXRLUOS-GFCCVEGCSA-N 337.445 1.244 0 40 EDAB C[C@](O)(CNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1)C1CC1 585122123 ODKCMLNMSYVLQH-AWEZNQCLSA-N 346.214 1.395 0 40 EDAB COC(OC)C(=O)N1CCN(C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 585131296 RACXMPJFAFOCLT-UONOGXRCSA-N 340.464 1.739 0 40 EDAB Cc1cc(-c2cncn2C)nc(CC2CCN(S(C)(=O)=O)CC2)n1 257288854 PVZHBINHCNGUSE-UHFFFAOYSA-N 349.460 1.400 0 40 EDAB CN(C)C(=O)[C@]1(CCCc2ccccn2)CCN1Cc1nccn1C 257340641 ZGZYVOSDEYZFIY-IBGZPJMESA-N 341.459 1.871 0 40 EDAB O=C(/C=C/c1ccccc1)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257315447 VBKFZFPIJGXDLC-FYCOFBDGSA-N 339.395 1.913 0 40 EDAB CCc1ccc(C(=O)N2CCN(C(=O)NC[C@H]3CCCO3)CC2)cc1 42865015 FBGIFNUFMSSARX-QGZVFWFLSA-N 345.443 1.895 0 40 EDAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2ccn(C)n2)nc1 257251318 JQGYUWIZUVGSQU-INIZCTEOSA-N 327.388 1.429 0 40 EDAB CCn1cc(C(=O)N2CCC[C@H](Cc3nccnc3NC)C2)cn1 257318074 VMKBVWVBDALQGA-CYBMUJFWSA-N 328.420 1.830 0 40 EDAB COc1ccc([C@@H]2CNCCN2C(=O)c2ccc(=O)n(C)c2)cc1 257301679 RZJWVEQXOBRPIZ-INIZCTEOSA-N 327.384 1.181 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257292769 QMXAVFRGQUAZBJ-AWEZNQCLSA-N 331.376 1.067 0 40 EDAB CC(C)(C)C(=O)Nc1cnn(Cc2nnnn2CC2CCOCC2)c1 277619724 YUUSIYUOUQNCJY-UHFFFAOYSA-N 347.423 1.329 0 40 EDAB CN(C)c1ccnc(CNC(=O)[C@H]2NCCOc3ccccc32)c1 1615546120 JXAQCZVHDIRCLW-KRWDZBQOSA-N 326.400 1.487 0 40 EDAB CCCn1ccc2cc(NC(=O)[C@H](O)C3(O)CCOCC3)ccc21 1615586412 MGISOVDOKPDIPQ-INIZCTEOSA-N 332.400 1.892 0 40 EDAB COc1c(C)cc(S(=O)(=O)N2CC(c3ccnc(N)n3)C2)cc1C 1615614574 PIRUCBWINGDMTA-UHFFFAOYSA-N 348.428 1.472 0 40 EDAB COc1ncccc1C(=O)N1CC(c2nc(-c3ccco3)no2)C1 90567367 ZCWJJPQEBLEPMF-UHFFFAOYSA-N 326.312 1.973 0 40 EDAB COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cc(C)on1)OC 96385109 IMHCBCSTLRNNDC-ZDUSSCGKSA-N 333.344 1.434 0 40 EDAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NCc1ccccc1Cl 575420108 FVSCTVJOIBIKNU-OLZOCXBDSA-N 346.836 1.341 0 40 EDAB COc1ncc(CN2C[C@H](c3ccc(Cl)cc3)[C@@H](O)[C@H]2CO)cn1 585291594 AOKWIGONXLHNEQ-BZUAXINKSA-N 349.818 1.460 0 40 EDAB CCc1ccccc1S(=O)(=O)N1CCCC[C@@H]1c1nc(O)n[nH]1 585142096 OWROVDDCXPANEN-GFCCVEGCSA-N 336.417 1.989 0 40 EDAB CN1C[C@@H](COCc2cccnc2)CC12CN(Cc1cn[nH]c1)C2 585093938 RBCQQKQMKDOJIC-INIZCTEOSA-N 327.432 1.528 0 40 EDAB CNC(=O)COc1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1 66159252 FZLZPLZCXFUUCF-OAHLLOKOSA-N 346.431 1.513 0 40 EDAB O=C(CCNC(=O)c1cc(-c2ccccc2)[nH]n1)NCc1cccnc1 66455688 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329.374 1.143 0 40 EDAB CN1C(=O)N/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 8091531 NRVMRMFCYOUUGD-XVNBXDOJSA-N 342.105 1.585 0 40 EDAB NC(=O)[C@@H](Sc1nnnn1-c1ccc(O)cc1)c1ccccc1 14071631 KVITUPIWEXIGQV-ZDUSSCGKSA-N 327.369 1.687 0 40 EDAB CCCCn1c(N)c(N(CCC)C(=O)c2ccncc2)c(=O)[nH]c1=O 14699167 ZKQINHVSSHAWLP-UHFFFAOYSA-N 345.403 1.371 0 40 EDAB CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 16638827 OSCCNCWMYXAASR-UHFFFAOYSA-N 344.433 1.241 0 40 EDAB CNC(=O)c1ccc(-c2ccc(CNC(=O)COC)cc2)nc1C 19700746 ZPZGSTCDTXGFHE-UHFFFAOYSA-N 327.384 1.679 0 40 EDAB Nc1nc(N)nc(COC(=O)C2(c3ccccc3F)CCCC2)n1 17936790 YXKPWZUJNSDQJM-UHFFFAOYSA-N 331.351 1.730 0 40 EDAB CN(C)CC(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 1614948358 ICRWWWZMCARBGL-MRXNPFEDSA-N 328.416 1.223 0 40 EDAB CCC(=O)Nc1nnc(SCC(=O)Nc2nnc(C)s2)s1 9366910 UADBKZKVHCSZPS-UHFFFAOYSA-N 344.447 1.777 0 40 EDAB CN(C)c1ccc(CCNC(=O)C(=O)NCc2cccs2)cc1 11693722 CYQARBZJJZEBHT-UHFFFAOYSA-N 331.441 1.789 0 40 EDAB O=C(CCCn1nc(-c2ccco2)ccc1=O)NCc1cccnc1 13698429 LMLJZXRIZBTAGZ-UHFFFAOYSA-N 338.367 1.995 0 40 EDAB CN(C)C(=O)[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn2C1 2055713237 KBACGXOQCNBSCJ-ZDUSSCGKSA-N 334.370 1.882 0 40 EDAB O=S(=O)(c1cc(F)cc(F)c1)N1CC(Oc2ccncc2)C1 1775973979 TWCMFLCGHBEHAG-UHFFFAOYSA-N 326.324 1.812 0 40 EDAB O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@@H]1CO 96483465 ZOBIYSZMQCWMDG-MRVPVSSYSA-N 338.198 1.734 0 40 EDAB Cc1nc(C)c(CC(=O)N(C)Cc2ccc3c(c2)OCO3)c(=O)[nH]1 31217242 FDZZNRZHKCCJCY-UHFFFAOYSA-N 329.356 1.317 0 40 EDAB CN1CCN(c2ncnc3c2nnn3Cc2ccccc2Cl)CC1 159225 HBRLURZQOGXULO-UHFFFAOYSA-N 343.822 1.675 0 40 EDAB CCN(CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)Cc1ccco1 40520479 HHFSCJRUXSDZFT-CYBMUJFWSA-N 328.434 1.137 0 40 EDAB NC(=O)Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 32096945 RUGRQAYEFNKNLI-UHFFFAOYSA-N 334.353 1.213 0 40 EDAB C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CC(N)=O)c2ccccc21 299964 GGARBVOVUGOSFF-HXPMCKFVSA-N 338.363 1.225 0 40 EDAB CCOc1c(Cl)cccc1NC(=O)N1CCO[C@@H](C(N)=O)C1 51642587 IBJKONRTBCISST-LLVKDONJSA-N 327.768 1.457 0 40 EDAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](C)(O4)[C@@H]3C2=O)c1 179518 LUPTVSCTZKBZQL-ZXTQRBJTSA-N 327.336 1.696 0 40 EDAB COc1ccc(NC(=O)C[C@H](NCc2ccccn2)C(=O)O)cc1 352264 SOZKGUMLCRCAIQ-HNNXBMFYSA-N 329.356 1.662 0 40 EDAB C[C@@H](NC(=O)NCc1cccnc1N1CCOCC1)c1ccccn1 29734811 PQGJDHXWHKQDBV-CQSZACIVSA-N 341.415 1.874 0 40 EDAB CN1CC[C@H](C(=O)NCc2cccc(CN3CCCC3)c2)CC1=O 46375693 WKKLZWKVYUEXPY-KRWDZBQOSA-N 329.444 1.767 0 40 EDAB CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1cccnc1 4304074 GIPAMCDCMMZCEC-GFCCVEGCSA-N 327.340 1.336 0 40 EDAB Cn1c(N2CCCC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 4318040 XLXFKDCDISLCBZ-UHFFFAOYSA-N 339.399 1.082 0 40 EDAB O=C1CCC(C(=O)OCC(=O)Nc2cc(Cl)ccc2F)=NN1 4333900 LXOZUQCFJMZGJJ-UHFFFAOYSA-N 327.699 1.227 0 40 EDAB COc1cccc(OC[C@@H](O)Cn2c(CO)nc3ccccc32)c1 4906842 RAZYPDFJQMQOTB-ZDUSSCGKSA-N 328.368 1.977 0 40 EDAB CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 101939692 DEWNEODYXYEWOS-YRBFXIGRSA-N 331.368 1.761 0 40 EDAB O=C(NC1CCN(c2ncccn2)CC1)[C@H]1COc2ccccc2O1 46609485 ZXQJWYZLGFGFCO-MRXNPFEDSA-N 340.383 1.402 0 40 EDAB CS[C@H](C(=O)N1CCN(c2nccnn2)CC1)c1ccccc1 600185018 QDHTWQFPNYIDPS-AWEZNQCLSA-N 329.429 1.625 0 40 EDAB COc1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)c(OC)c1 9225498 LVRIRUSOPYDFAW-KCQAQPDRSA-N 347.415 1.432 0 40 EDAB CCOc1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 103110901 RUBVKUPZVUHCBV-JURCDPSOSA-N 326.352 1.537 0 40 EDAB CC(C)CN1C[C@H]2CCN(C(=O)c3ccno3)CC[C@H]2S1(=O)=O 107184046 DJSNEAMJJNNNKJ-TZMCWYRMSA-N 341.433 1.197 0 40 EDAB C[S@](=O)c1ccccc1NC(=O)CN1C(=O)COc2ccccc21 76042478 BRLYMYMNOMEDKJ-XMMPIXPASA-N 344.392 1.788 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ccccc32)n(C)c1 53477443 KGIVBKSOWUROPI-AWEZNQCLSA-N 333.413 1.351 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC1 22991274 TYHDYFKJXDNFHK-UHFFFAOYSA-N 329.356 1.442 0 40 EDAB COc1ncccc1NC(=O)CCn1nnc2ccccc2c1=O 47553958 SFKGQBLOSXXQRO-UHFFFAOYSA-N 325.328 1.224 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 42535772 HCWYCOWTHNAVJS-ZIAGYGMSSA-N 330.388 1.533 0 40 EDAB CCN(Cn1nc2n(c1=S)CCCCC2)[C@@H]1CCS(=O)(=O)C1 24013785 BAMGOFWRPVJDTH-GFCCVEGCSA-N 344.506 1.607 0 40 EDAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2N)cc1 1106951 YQMYPYOZSDYMGJ-UHFFFAOYSA-N 328.324 1.851 0 40 EDAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(-n2ccnc2)nc1 24785946 OSSZKYDSMHMUKT-UHFFFAOYSA-N 332.327 1.495 0 40 EDAB COc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cn1 12549357 HFYTWQQABYSMNY-UHFFFAOYSA-N 329.312 1.187 0 40 EDAB Cc1nc(CN2CC[C@@H]3OCCN(S(C)(=O)=O)[C@@H]3CC2)cs1 107255309 NXLSTNJOKLYEQV-KGLIPLIRSA-N 345.490 1.076 0 40 EDAB COc1cc(OC(=O)/C=C2/CCC(=O)O2)c2c(c1)O[C@H]1OC(=O)C[C@@H]21 104097372 NKWCOGPKSZIFFC-XYUNIQPYSA-N 346.291 1.571 0 40 EDAB Cn1cc(NC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)cn1 25309689 RXLVUAVBTGJXJP-KGLIPLIRSA-N 348.403 1.341 0 40 EDAB CC(C)c1nnc(NC(=O)NC[C@@H](O)CN2CCCCC2)s1 43695994 SDVDNEPHIZJJSQ-LLVKDONJSA-N 327.454 1.630 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN([C@@H](C(N)=O)c3ccc(F)cc3)C2)o1 107354111 LEGOSYZJYYOMHF-DOTOQJQBSA-N 346.406 1.855 0 40 EDAB Cc1cccc(C(=O)NCCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 107514672 YHWCMIVVLLYHCT-XJNFMUPTSA-N 338.407 1.922 0 40 EDAB CC(C)CN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)C1CC1 27110584 WLIJWYVLYTWIFM-INIZCTEOSA-N 331.416 1.386 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O)C1CC1 58180706 NXXFOGXWUQGLRD-QGHHPUGFSA-N 333.363 1.507 0 40 EDAB COCCN(Cc1ccccn1)C(=O)[C@H](C)NC(=O)c1cccs1 58294318 DUMGLMYMCUDTSG-ZDUSSCGKSA-N 347.440 1.937 0 40 EDAB C[C@H](C(=O)Nc1nccs1)N1CCC(c2ccnn2CCO)CC1 58290025 GCKMULXAJNAAAV-GFCCVEGCSA-N 349.460 1.539 0 40 EDAB CC(C)c1ccc(S(=O)(=O)Cc2nc(N)nc(N(C)C)n2)cc1 44947732 LKCGRIIPEXLGLZ-UHFFFAOYSA-N 335.433 1.617 0 40 EDAB COc1nn(C)c2nc(C)c(CCC(=O)N3CCO[C@@H](C)C3)c(C)c12 44913297 IILMZERHKIPHPW-NSHDSACASA-N 346.431 1.774 0 40 EDAB Cc1nc(CCNC(=O)N[C@H]2CCCN(c3ncccn3)C2)cs1 44967731 SPPYZGQLIFKZIF-ZDUSSCGKSA-N 346.460 1.752 0 40 EDAB Cc1cc(C)n(CCCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1 44998752 RKEBPOVCEODMJC-OAHLLOKOSA-N 332.448 1.797 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cn2)n1 44918618 UAFVHMJCNPEJMR-CYBMUJFWSA-N 348.428 1.049 0 40 EDAB Cc1noc(CCCC(=O)N(C)C[C@H]2COc3ccccc3O2)n1 44939194 VRZTWOQGESHDSQ-ZDUSSCGKSA-N 331.372 1.999 0 40 EDAB C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCC(=O)N2 44968910 GZXXUVOMVUYAGS-GWCFXTLKSA-N 336.413 1.183 0 40 EDAB O=C(c1ccc(O)c(Cl)c1)N1CCN(C(=O)c2cnccn2)CC1 58323685 SOWRXTNPUFTVQC-UHFFFAOYSA-N 346.774 1.434 0 40 EDAB CC(C)CCO[C@H](C)C(=O)NCCCN(C(C)C)S(C)(=O)=O 58312583 OSCYNVARTCEPHP-CQSZACIVSA-N 336.498 1.614 0 40 EDAB CCc1nc2c(c(=O)n1C)OCCN(C(=O)c1cc(C)cc(C)c1)C2 306127486 FZQICZMRLALUGK-UHFFFAOYSA-N 341.411 1.994 0 40 EDAB Cn1ccc(C(=O)N2CCCN(Cc3cccs3)CC2)cc1=O 28037136 QMFBVQINPGOVNJ-UHFFFAOYSA-N 331.441 1.795 0 40 EDAB O=C(NCCN1CCCCC1)NC1CCN(C(=O)c2ccco2)CC1 45208571 KGGSOMXTTUFWAG-UHFFFAOYSA-N 348.447 1.669 0 40 EDAB 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1.410 0 40 EDAB COc1ccc2[nH]cc(C(=O)N3C[C@@H](O)[C@H](N4CCCC4)C3)c2c1 299851054 VRZDWTVRLNCZDN-IAGOWNOFSA-N 329.400 1.458 0 40 EDAB CN1CCOC[C@@H]1C(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 390835000 ALXVVTPIDSREDH-RTBURBONSA-N 340.423 1.834 0 40 EDAB CN(C)CCN(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 575421110 MZBPNAVHXGTHEB-CQSZACIVSA-N 330.881 1.891 0 40 EDAB C[C@@]1(C(N)=O)CN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)CCO1 585283974 PYEOSBSKKZHDOS-YTQUADARSA-N 332.444 1.652 0 40 EDAB COc1ccc(F)cc1C(=O)N1CCC[C@H](OC)[C@@H]1CCC(N)=O 585278642 POJBQBZZETXWOF-ZFWWWQNUSA-N 338.379 1.719 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccccc1C)[C@H](C)C2 585098260 SQEYHKSXYPBZSY-CQSZACIVSA-N 344.415 1.585 0 40 EDAB O=C1CCCCCN1CC(=O)N1CC[C@@](O)(COc2ccccc2)C1 585275630 HOFDPGANEWLVNO-IBGZPJMESA-N 346.427 1.431 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)C1 44534453 VYVPYPQHXIERLY-HUUCEWRRSA-N 338.496 1.474 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)S(C)(=O)=O 46181424 MJEJYZFLXDOMKG-UHFFFAOYSA-N 336.417 1.319 0 40 EDAB C[C@@H](c1cccnc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 47266070 XTACPIKXUZBYLL-AWEZNQCLSA-N 332.429 1.544 0 40 EDAB NS(=O)(=O)c1cnc(N2CCN(Cc3cccs3)CC2)s1 69367197 JBJJSKWPEFSMFD-UHFFFAOYSA-N 344.487 1.174 0 40 EDAB O=C1NC2(CCS(=O)(=O)CC2)C(=O)N1Cc1ccc(Cl)cc1 69380714 KZGXNRZYABGDGX-UHFFFAOYSA-N 342.804 1.339 0 40 EDAB CN(Cc1nc(-c2cccnc2)no1)CC1CCN(CCO)CC1 69980636 IEZOHQNJXCXPAM-UHFFFAOYSA-N 331.420 1.268 0 40 EDAB COC(=O)NCCC(=O)NCCc1ccc(F)c(Br)c1 71886253 MWCBHMBYSHCFHG-UHFFFAOYSA-N 347.184 1.993 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3c(C)nn(C)c3Cl)CCO2)n1 72267560 RNUVXNVJRJMJIF-CYBMUJFWSA-N 338.843 1.491 0 40 EDAB Cc1noc(C)c1CC(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1 585590651 WBVRSDWNWNKZGU-UHFFFAOYSA-N 341.415 1.460 0 40 EDAB Cc1nccn1CCNC(=O)[C@H]1ON=C(c2ccc(F)cc2)[C@@H]1C 12116877 ROVSJIPBIDNVTN-ZBEGNZNMSA-N 330.363 1.886 0 40 EDAB CN(C)S(=O)(=O)c1cccc(Cn2nnc(-c3ccccc3)n2)c1 12695185 BRRVKDXUXUDQNQ-UHFFFAOYSA-N 343.412 1.639 0 40 EDAB CCOCc1ccc(C(=O)NCCCc2c(C)[nH]c(N)nc2=O)cc1 17039770 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337.383 1.379 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)Cc3ccc(Cl)cc3)C2)n1 1775985906 HXSAWPFKLAHIOZ-UHFFFAOYSA-N 331.803 1.906 0 40 EDAB O=C(NCC1CCC1)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055715776 IWHDWMKZQNOCCQ-CYBMUJFWSA-N 330.432 1.644 0 40 EDAB O=C(NCC(F)(F)F)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055713709 AGZPPZXTKDDLAC-SNVBAGLBSA-N 344.337 1.264 0 40 EDAB Cn1nccc1C(=O)N[C@@H]1CCc2onc(CN3CCCC3)c2C1 2055732611 UMBANSJIQFWSHQ-GFCCVEGCSA-N 329.404 1.291 0 40 EDAB Cc1cnc2c(c1NCCCc1ccccc1)c(=O)n(C)c(=O)n2C 22767686 VWKMOHDWUDVPSW-UHFFFAOYSA-N 338.411 1.985 0 40 EDAB COc1ccc(/C=C/C(=O)NC[C@@H](O)CCSC)cc1OC 1775968612 HDJIDBQKWQGKJW-IYNGYCSASA-N 325.430 1.947 0 40 EDAB Cc1cc(C)nc(NC(=N)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 100134939 WHMYZWIFHZKVFY-KBPBESRZSA-N 338.415 1.721 0 40 EDAB Cc1cccc(NC(=O)C(=O)NCC2CCN([C@H]3CCOC3)CC2)c1 575615424 FDHHKIHMLNKZSH-KRWDZBQOSA-N 345.443 1.551 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCn1cc(-c2ccoc2)cn1 575614746 FAOPMPLPNJMCOZ-UHFFFAOYSA-N 336.373 1.726 0 40 EDAB Cn1nccc1C(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 575616901 LCRFYHZMDUTLLW-UHFFFAOYSA-N 338.371 1.002 0 40 EDAB O=c1ccc(-n2cccn2)nn1CC1CCN(C[C@H]2CCOC2)CC1 585501770 LEVBDPJUQYALDU-MRXNPFEDSA-N 343.431 1.178 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2cncn2-c2ccc(F)cc2)C[C@@H](C)O1 40047532 DDADAWMNCDAWGT-ZIAGYGMSSA-N 346.406 1.850 0 40 EDAB O=C(NN1C(=O)c2ccc(Br)cc2C1=O)c1ccncc1 34665 UYOIVAFXMJXUEF-UHFFFAOYSA-N 346.140 1.785 0 40 EDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 40266316 ZIYOSXIOMUBTIC-NSHDSACASA-N 344.337 1.639 0 40 EDAB COc1ccc(CNC(=O)C(=O)Nc2c(C)nn(C)c2C)cc1OC 40267219 JIKQFQSOWVTMKE-UHFFFAOYSA-N 346.387 1.309 0 40 EDAB CC(=O)N1CCC(C(=O)NCc2cccnc2-n2cccn2)CC1 31228575 YWLWCAKEIZJMNO-UHFFFAOYSA-N 327.388 1.142 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C 40459518 YRXKWUNWJXXEFL-AWEZNQCLSA-N 347.415 1.298 0 40 EDAB C[C@@H](NC(=O)c1ccc2c(c1)CCO2)c1ccc(S(N)(=O)=O)cc1 40498076 HDJUNVGHZOFYAJ-LLVKDONJSA-N 346.408 1.760 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)N1CCO[C@@H]2CCCC[C@H]21 40553827 FTNCHDSLKPBRSO-CHWSQXEVSA-N 333.413 1.628 0 40 EDAB NS(=O)(=O)c1ccc(OCCN2CCOc3ccccc32)cc1 40511279 OQVWOQCCOAESJH-UHFFFAOYSA-N 334.397 1.612 0 40 EDAB COc1ccc(NC(=O)[C@H]2CS[C@]3(C)CSCC(=O)N23)cn1 40554200 DIUZXVZSLJTWIW-QMTHXVAHSA-N 339.442 1.436 0 40 EDAB Cc1c(C(=O)N[C@@H]2CCCCNC2=O)cnn1-c1ccccc1F 40522137 OXHMMONZQKKBOU-CQSZACIVSA-N 330.363 1.718 0 40 EDAB CCCN(CCC)C(=O)[C@@H]1[C@@H](C(=O)NCC(=O)OC)[C@H]2C=C[C@H]1C2 100993105 NKIQTOCUIJIQAG-SDADXPQNSA-N 336.432 1.363 0 40 EDAB O=C(NCCn1c(C2CC2)n[nH]c1=S)C1(O)Cc2ccccc2C1 81422545 IWNGHPPHVCLIDU-UHFFFAOYSA-N 344.440 1.464 0 40 EDAB CNC(=O)c1ccc(CN(C)Cn2nnc3ccccc3c2=O)cc1 8188784 XPPRBRBPRYAZSI-UHFFFAOYSA-N 337.383 1.241 0 40 EDAB Cc1cc(C(=O)CSc2nnnn2C)c(C)n1C[C@H]1CCCO1 2660269 SGMHKRCGLPDWPH-GFCCVEGCSA-N 335.433 1.782 0 40 EDAB O=C(N/C(=C\c1ccccc1)C(=O)N1CCOCC1)c1ccco1 2950327 HQMCWPZAWRHMRY-SQFISAMPSA-N 326.352 1.909 0 40 EDAB O=C1NCCN1C1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 52214842 DLJAOSPSSLEWCK-UHFFFAOYSA-N 345.378 1.865 0 40 EDAB CCOC(=O)C1=[N+]([O-])O[C@@H](C(=O)OCC)[C@@H]1c1c[nH]c2ccccc12 3098273 DYTXRRGYJIFRPF-UKRRQHHQSA-N 346.339 1.643 0 40 EDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 4064643 NNCKSAGIHJUGAY-CIVOKZAASA-N 343.379 1.711 0 40 EDAB biogenic CCN(CC)C(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 32797349 ZRPMOGCTTRBYTA-UHFFFAOYSA-N 333.480 1.899 0 40 EDAB Nc1cccc2c1C(=O)N(/C=C1\C(=O)NC(=O)c3ccccc31)C2=O 102211584 MSYCSARGWLKSKA-WQLSENKSSA-N 333.303 1.176 0 40 EDAB COc1ccc(OC[C@@H](O)Cn2nnc(-c3cccnc3)n2)cc1 32815374 WJQUDBKGJJPLOS-ZDUSSCGKSA-N 327.344 1.184 0 40 EDAB Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 4871673 NQDUYJUCOAQIIA-UHFFFAOYSA-N 328.324 1.836 0 40 EDAB CONC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 32848435 AWFKAIARYAZLRC-UHFFFAOYSA-N 340.445 1.862 0 40 EDAB O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccco1)c1cnccn1 107257530 QUGJCTWPLFNNTM-RRQGHBQHSA-N 342.399 1.479 0 40 EDAB CC[C@](C)(CNS(=O)(=O)N1CCC(C)CC1)N1CCOCC1 32923828 XXAYFLWXHVVNCO-OAHLLOKOSA-N 333.498 1.054 0 40 EDAB COC(=O)CCN(C)C(=O)c1ccc(CNC(=O)NC(C)C)cc1 32928154 MUGXOWXVORDUGC-UHFFFAOYSA-N 335.404 1.529 0 40 EDAB CN(C)C(=O)N[C@@H]1CCOC2(CCN(Cc3cccnc3)CC2)C1 108534580 INCKVZFYQKEJDL-MRXNPFEDSA-N 332.448 1.866 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 33210587 ZKSDNWYCHXTALT-HZPDHXFCSA-N 343.427 1.162 0 40 EDAB CCOc1ccc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 542311 ROWIRVDFWBXYKF-UHFFFAOYSA-N 341.371 1.364 0 40 EDAB C[C@@H]1CCCN(C(=O)C2CCN(c3ncnc4c3cnn4C)CC2)C1 42110448 YPDDLCRXXQGXEL-CYBMUJFWSA-N 342.447 1.838 0 40 EDAB O=C(NCCNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccco1 23041617 OIIRQPLVNBWBAT-UHFFFAOYSA-N 325.324 1.281 0 40 EDAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 172197842 FKYCLTAPLHENOI-LBPRGKRZSA-N 340.426 1.042 0 40 EDAB CC(C)[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccccc1 23773540 IJKAEJVBHOYASV-SXSDINLZSA-N 341.411 1.611 0 40 EDAB CN(Cc1ccccc1)S(=O)(=O)c1ccccc1S(C)(=O)=O 24050988 BXBXSDQQLMRMEH-UHFFFAOYSA-N 339.438 1.911 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)no1 107721450 PTIAHTRZFHQOCM-YESZJQIVSA-N 343.383 1.967 0 40 EDAB O=C(Cc1ccc(-n2cccn2)cc1)N1CC[C@](O)(C(F)(F)F)C1 77990469 RXYAJEWMVPLWCZ-OAHLLOKOSA-N 339.317 1.941 0 40 EDAB O=C(CNC(=O)c1cccs1)NCc1ccccc1-n1ccnc1 55695883 KNWNCBRHKNPFKT-UHFFFAOYSA-N 340.408 1.980 0 40 EDAB CCOC(=O)COc1cccc(NC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)c1 25275419 RLVHJVLTFPNYOX-SWLSCSKDSA-N 348.399 1.729 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)N1CCO[C@@H]2CCC[C@@H]21 56193893 VGGQDWBHRMTWDU-DOTOQJQBSA-N 327.384 1.567 0 40 EDAB O=C(CN1CCN(c2ncnc3sccc23)CC1)N1CCCC1 57281268 RELFZRQFDDPOMZ-UHFFFAOYSA-N 331.445 1.436 0 40 EDAB Cc1cc(C)nc(NN[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)n1 20634723 VKGPMUWCIBXUBQ-ZDUSSCGKSA-N 347.325 1.620 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NCCn2cccn2)[C@@H]1c1ccccc1F 57354938 PYRNHARXWHKXJP-YOEHRIQHSA-N 344.390 1.748 0 40 EDAB Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@H](C)CN1CCCC1 58217960 BQNNJWRAAPYOBW-AWEZNQCLSA-N 342.443 1.553 0 40 EDAB COCCN(CCOC)C(=O)c1cnn(C)c1-n1c(C)ccc1C 58265131 UMWJZAGQDXNDTO-UHFFFAOYSA-N 334.420 1.563 0 40 EDAB C[C@H](CNC(=O)Cc1csc(-c2ncccn2)n1)Cn1cccn1 58277515 BNRGEBMYKQBJLB-GFCCVEGCSA-N 342.428 1.792 0 40 EDAB COc1ccc(-c2noc(=O)n2Cc2nnc(C3CC3)o2)cc1OC 58278624 LTMNURZJGIVQOZ-UHFFFAOYSA-N 344.327 1.829 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)c1ccnc(-n2ccnc2)c1 58272916 UHAVZFFCUFSMJP-UHFFFAOYSA-N 346.354 1.173 0 40 EDAB CN(C)c1ccc(C(=O)NCCn2nc3ccccn3c2=O)cc1F 58328149 ANFHKGBGFADUFG-UHFFFAOYSA-N 343.362 1.131 0 40 EDAB COc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cn1 23139854 UBTBDEZHCAZGQL-UHFFFAOYSA-N 340.427 1.847 0 40 EDAB NS(=O)(=O)c1ccc(OCCN2CCC[C@@H]2c2ccc[nH]2)cc1 48250102 UOWRGXHPWZDQRP-MRXNPFEDSA-N 335.429 1.878 0 40 EDAB O=C(c1ccoc1)N1CCN(c2ncc(Br)cn2)CC1 36391524 FCOGUGMWQFTLLH-UHFFFAOYSA-N 337.177 1.795 0 40 EDAB COCCOc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)cc1 28326061 UUERPVYZXJHXOK-IUODEOHRSA-N 329.418 1.558 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)NC[C@@H]3CCCN3C)cnc12 48274838 HSCNQVIXWPMVED-AWEZNQCLSA-N 328.416 1.305 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1cccc2cccnc12 10915059 YZZXJMQAKOZWNR-UHFFFAOYSA-N 346.346 1.877 0 40 EDAB Nn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O 11519101 WSPJLCKNPGGBJW-UHFFFAOYSA-N 344.371 1.980 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc(Cl)ccn2)C1 37991520 YLSBETMBMLXUCE-JTQLQIEISA-N 331.825 1.136 0 40 EDAB NC(=O)CC1CCN(C(=O)NCCc2cn3ccccc3n2)CC1 48314140 RJCLFCBQUMZOGE-UHFFFAOYSA-N 329.404 1.174 0 40 EDAB Cn1nnnc1S[C@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O 3477729 OLPMGSDGPTXHIK-LBPRGKRZSA-N 349.391 1.663 0 40 EDAB COc1cc(C(=O)N(C)CC(=O)NC(C)(C)C)cc2c1OCCO2 12936786 QMJNRWWBPNWXNY-UHFFFAOYSA-N 336.388 1.453 0 40 EDAB O=C(NCc1nccn1CCCc1ccccc1)[C@H]1COCCO1 81931395 JXRDFZVGBABHGQ-MRXNPFEDSA-N 329.400 1.548 0 40 EDAB COc1ccc2[nH]c3c(=O)n(CCN4CCOCC4)cnc3c2c1 13635053 NMZRWMAIKJQJGD-UHFFFAOYSA-N 328.372 1.219 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)n3ccnc3)CC2)cc1 5266252 CGMLTJMWUKAXEG-UHFFFAOYSA-N 334.401 1.166 0 40 EDAB COc1ccc(NC(=O)NC[C@@H]([C@H]2CCOC2)N2CCCC2)cn1 65452467 POTOEJOQAFIAJR-ZFWWWQNUSA-N 334.420 1.713 0 40 EDAB CCC(CC)C(=O)N[C@H](C)c1ccc(-n2cc(C(N)=O)nn2)cc1 65520461 BKDIDTDOSGAIGP-LLVKDONJSA-N 329.404 1.980 0 40 EDAB CN(Cc1ccccc1)C[C@@H](O)Cn1cnc2sccc2c1=O 65515340 MTIPCRAKDCDPFT-CQSZACIVSA-N 329.425 1.951 0 40 EDAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc2c(c1)OCCO2 14111340 BBNQBYCFYISFHF-UHFFFAOYSA-N 348.380 1.382 0 40 EDAB Cc1ccn2c(=O)cc(COc3ccc(-n4cnnn4)cc3)nc2c1 14352345 XSBBWKCQABKPTH-UHFFFAOYSA-N 334.339 1.558 0 40 EDAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)cc1F 5519538 DSDUBCSRWOHYSX-CYBMUJFWSA-N 326.299 1.782 0 40 EDAB C[C@@H](C(=O)NC(N)=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 69529484 MYISIBROWDHTHM-JTQLQIEISA-N 336.367 1.060 0 40 EDAB CC[C@@H](C)N(C)CCNC(=O)c1ccc(S(=O)(=O)NC)cc1 66127091 LOXNQEOHCVEFBC-GFCCVEGCSA-N 327.450 1.055 0 40 EDAB CCc1nc(CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)no1 69564238 PCGLIGCSUHTFQE-JTQLQIEISA-N 328.328 1.684 0 40 EDAB CCN1CCN(C[C@@H](C)CNC(=O)COc2ccc(C)cc2)CC1 69662047 FHSSUUSLMSMFIS-KRWDZBQOSA-N 333.476 1.764 0 40 EDAB CC(=O)N1CCC[C@@H](S(=O)(=O)NCCOc2ccc(C)cc2)C1 69620534 FOTAGZWFRYSVPA-MRXNPFEDSA-N 340.445 1.304 0 40 EDAB C/C(NC[C@H]1CCCO1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 5816535 QDADVKBMKNIKRG-FQZGENGWSA-N 343.383 1.308 0 40 EDAB CCOC(=O)c1cnn(C)c1NC(=O)CN1CCn2cccc2[C@@H]1C 67116807 ZPNAGWUYQBCXNL-LBPRGKRZSA-N 345.403 1.414 0 40 EDAB Cc1noc(Cl)c1CC(=O)N1CCCN(c2cccnn2)CC1 69917547 VPWIPMYDDYSOTH-UHFFFAOYSA-N 335.795 1.708 0 40 EDAB CCN1C[C@@H](C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1=O 69702563 JHYJCUUEBPQZQO-NSHDSACASA-N 327.425 1.274 0 40 EDAB CCn1ccc(C(=O)NC[C@H]2CCN(Cc3cccc(O)c3)C2)n1 67773834 HJBQOLGOERSHEY-OAHLLOKOSA-N 328.416 1.861 0 40 EDAB Cc1cc(O[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 16222800 SKNBYDQBTHNQLC-QWRGUYRKSA-N 331.821 1.719 0 40 EDAB CCONC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 8923779 MXFALIDVHXRXNT-UHFFFAOYSA-N 334.397 1.846 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)CN1CC1CC1 84136584 ZIACMGGKMCQZSB-UONOGXRCSA-N 344.415 1.869 0 40 EDAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C)oc1C 97035140 SYRXOPOFUIFODT-LLVKDONJSA-N 340.405 1.448 0 40 EDAB COC(=O)c1ccc(NC(=O)CN2CCC(CCCO)CC2)cc1 96007915 NYFDGQHVCFONSD-UHFFFAOYSA-N 334.416 1.896 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N[C@H]2CN(c3ccccc3)C2=O)c1 96008917 LBGJGEGFHDCCEN-AWEZNQCLSA-N 334.372 1.828 0 40 EDAB Cc1ccc(CNCCCNS(C)(=O)=O)c(Br)c1 96483921 IBZKIQHKFBKTNA-UHFFFAOYSA-N 335.267 1.786 0 40 EDAB CN(C(=O)c1ccc(=O)[nH]n1)[C@@H]1CCN(c2ccccc2Cl)C1=O 72277559 XTILQDCWMJLCEU-CYBMUJFWSA-N 346.774 1.301 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)c3nccn4ccnc34)C2)no1 72294392 PZEZPTGRNBUJJY-LLVKDONJSA-N 326.360 1.695 0 40 EDAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(N)=O)cc3)ccc21 19936578 AVAYOIFDZOWSOW-UHFFFAOYSA-N 347.352 1.031 0 40 EDAB CC(C)C[C@H](CN(C)C)NC(=O)C1CCN(C(=O)N(C)C)CC1 72012911 IIAAIZYYOUWICE-OAHLLOKOSA-N 326.485 1.473 0 40 EDAB CN1CCN(C)[C@H](CNS(=O)(=O)c2cccc3ccccc23)C1 83992167 ZBUMTKGCIFLKIL-OAHLLOKOSA-N 333.457 1.364 0 40 EDAB COC(=O)c1cc(CNC(=O)CNC(=O)C(C)(C)C)ccc1OC 9723276 ATUARVHABGMDNM-UHFFFAOYSA-N 336.388 1.260 0 40 EDAB CCn1cc(CN[C@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)cn1 72300617 TVJCNNCHGLHLHN-ZFWWWQNUSA-N 328.482 1.441 0 40 EDAB O=C(NC1CCN(Cc2nc3ccccc3[nH]c2=O)CC1)C1CC1 97201527 SLOBOIDYQHQHOG-UHFFFAOYSA-N 326.400 1.414 0 40 EDAB CN1CCCC[C@@H]1C(=O)N1CCN(C(=O)Oc2ccccc2)CC1 95395233 KKAVKTXDJRUNNA-MRXNPFEDSA-N 331.416 1.814 0 40 EDAB CN1CCc2nc(C(=O)c3nc4c(s3)CN(C)CC4)sc2C1 95348229 SIEIMEFYCZOMNH-UHFFFAOYSA-N 334.470 1.806 0 40 EDAB in-vitro C[C@@](O)(CNC(=O)[C@H]1CCCN1C(=O)c1ccco1)C(F)(F)F 95445079 DUCLFNIIDDLMND-NOZJJQNGSA-N 334.294 1.314 0 40 EDAB CN(Cc1nnc(C2CC2)o1)[C@@H]1CCN(CCCc2cnn(C)c2)C1 95402395 HPFQXWDIZWOISM-MRXNPFEDSA-N 344.463 1.819 0 40 EDAB CS(=O)(=O)NCCN1CCC[C@H](Oc2ccccc2Cl)C1 95434288 ZVQFBSFNCDEMPM-LBPRGKRZSA-N 332.853 1.732 0 40 EDAB Cn1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccccc3F)C2)cn1 95448064 NBLYJPCWMPYWGV-LBPRGKRZSA-N 345.378 1.283 0 40 EDAB CC(C)n1nnnc1CN1CCN(Cc2nc3ccccc3[nH]2)CC1 95984011 OETGNEWCGMDFNH-UHFFFAOYSA-N 340.435 1.448 0 40 EDAB CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CCN(Cc2nnc(C)o2)C1 89736347 GAHXKUKEKMOXML-ZDUSSCGKSA-N 348.407 1.507 0 40 EDAB COc1cc(CNC2CCN(C(=O)C3CC3)CC2)cc2c1OCCO2 42209467 OAFGPESRNPKPAA-UHFFFAOYSA-N 346.427 1.957 0 40 EDAB O=C(Nc1c[nH]nc1[C@H]1CCNC1)c1cccc(N2CCCC2=O)c1 1549748092 VHTNRQHEEUEPOC-ZDUSSCGKSA-N 339.399 1.866 0 40 EDAB O=C(O)[C@@H]1[C@@H](c2ccccc2)CCN1S(=O)(=O)[C@@H]1CCCOC1 547606707 ZMANLHBDKPXUCY-KFWWJZLASA-N 339.413 1.438 0 40 EDAB CC[C@@](C)(CNS(=O)(=O)c1c(C)noc1C)N1CCOCC1 30425679 ZASRGLXPKQKHQO-AWEZNQCLSA-N 331.438 1.071 0 40 EDAB CCc1nsc(N2CCC[C@H](Oc3ccnc(C(=O)NC)c3)C2)n1 521398375 BLFQLTKILVELEF-LBPRGKRZSA-N 347.444 1.903 0 40 EDAB O=C(CN1CCS(=O)(=O)C[C@H]1C1CC1)Nc1cccc(F)c1 521545853 PZMKBRIBMFZXOG-AWEZNQCLSA-N 326.393 1.273 0 40 EDAB Cc1cc(C)n(C2CN(C(=O)NCC3(Cn4cccn4)CC3)C2)n1 534661110 ADMVKMVULHMVHQ-UHFFFAOYSA-N 328.420 1.743 0 40 EDAB CNC(=O)c1ccc([C@H]2CCCN(c3ncccn3)C2)nc1N(C)C 72352898 GEZJZDRPNWOCQX-ZDUSSCGKSA-N 340.431 1.681 0 40 EDAB C[C@H]1CN(CCO)CCN1C(=O)NCc1ncc(-c2ccccc2)o1 563687541 MNUUOHJJJGXRQI-AWEZNQCLSA-N 344.415 1.550 0 40 EDAB Cc1nc(CN2CCN(C(=O)COCc3ccccc3)CC2)no1 79001534 AQQPNMCKYQRZDM-UHFFFAOYSA-N 330.388 1.239 0 40 EDAB O=C(NCCc1ccsc1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 189003429 QCIGUWDYCIPQFE-HZPDHXFCSA-N 348.468 1.848 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)c2sccc2OC(F)F)cn1 73147459 CHXHVDNUNGVHMM-ZDUSSCGKSA-N 331.344 1.721 0 40 EDAB C[C@@H](CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)N1CCCC1 32824230 NMTPKKJTQSBLBR-NSHDSACASA-N 346.399 1.897 0 40 EDAB COCC(=O)N1CCC[C@H]1c1nccnc1Nc1nc(C)cc(C)n1 72384775 FCSZGFMOARIFOU-ZDUSSCGKSA-N 342.403 1.937 0 40 EDAB CN(CC(=O)N1CCOCC1)Cc1ccc(F)cc1Br 71418154 HNKIBXYRLRYBMN-UHFFFAOYSA-N 345.212 1.879 0 40 EDAB COCCn1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cc2ccccc21 79326739 BCVCPSORCTZOBY-ZDUSSCGKSA-N 336.413 1.205 0 40 EDAB CS(=O)(=O)N(Cc1noc(CCC(=O)O)n1)c1ccccc1F 78400932 FYXNVQKCQABKBR-UHFFFAOYSA-N 343.336 1.192 0 40 EDAB CN1CC[C@@H](NC(=O)c2cc(Br)cc(Cl)c2O)C1=O 73147128 PXMGMHWNVLWHGQ-SECBINFHSA-N 347.596 1.769 0 40 EDAB CCN1CCN(C(=O)COc2nn(-c3ccccc3)cc2C)CC1 227150170 LGXNHXOOZPMSBD-UHFFFAOYSA-N 328.416 1.724 0 40 EDAB COC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCN(C)CC1 226277897 LQBCJBFJEUKSTQ-UHFFFAOYSA-N 345.321 1.726 0 40 EDAB Cc1ccc(O[C@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)nn1 225428864 WJGYHLWEFNJBGF-ZDUSSCGKSA-N 341.367 1.850 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ncc(C(=O)O)cn1 571566284 PXWBJQNBPJQSDL-SNVBAGLBSA-N 335.385 1.776 0 40 EDAB CCOC(=O)c1c(S(=O)(=O)Nc2cccc(OC)c2)n[nH]c1C 47417489 OFCSVKZXZFJJFS-UHFFFAOYSA-N 339.373 1.704 0 40 EDAB COc1ccccc1CNC(=O)[C@H](C)n1cc2c(n1)c(C)nn2C 41124284 DEGLEKKRVHZXHF-LBPRGKRZSA-N 327.388 1.964 0 40 EDAB Cc1nc(C)c(C(=O)NCc2nccc(N3CCOCC3)n2)s1 224170518 QNXHFQSQIVMQKE-UHFFFAOYSA-N 333.417 1.317 0 40 EDAB O=C(N1CCOCC1)N1CC[C@H]2COC(=O)N2c2ccccc2C1 225481645 QCYPNSGSLYUAAZ-AWEZNQCLSA-N 331.372 1.670 0 40 EDAB biogenic,in-vitro CCC[C@H](C)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 222622572 GKWGBZPWRHIUTL-LBPRGKRZSA-N 330.425 1.892 0 40 EDAB Nc1cc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)ccn1 193542801 IQDQHQKRQTWBHU-OAHLLOKOSA-N 338.477 1.490 0 40 EDAB COc1ccc(-c2noc(C(=O)O)c2[C@@H](C)NS(C)(=O)=O)cc1 96296870 LTUTUVPSEGTBOK-MRVPVSSYSA-N 340.357 1.659 0 40 EDAB biogenic,in-vitro COc1ccc(N2CCC[C@@H](C(=O)NCCCOC(C)C)C2)nn1 95476843 MDMPJLULIVTONL-CQSZACIVSA-N 336.436 1.633 0 40 EDAB CNc1ncnc2ncn(C[C@@H](O)COc3c(C)cccc3C)c12 96407757 XPNBYLZULCGSPZ-CYBMUJFWSA-N 327.388 1.925 0 40 EDAB COCC(=O)N1Cc2cnn(CC3CCOCC3)c2[C@H](COC)C1 96198457 GAPFFWVZMAGMQC-HNNXBMFYSA-N 337.420 1.028 0 40 EDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(C(C)C)n(C)n1)CC2 96445376 ZYOCONXKESUMKX-JKSUJKDBSA-N 335.448 1.936 0 40 EDAB Cc1ccc(CN2CCn3c(COCC(=O)N(C)C)nnc3C2)s1 96084418 FNJWYHUZIJHEAO-UHFFFAOYSA-N 349.460 1.269 0 40 EDAB O=C(CNC(=O)N1CCc2ccccc2C1)Nc1ccc(F)cn1 96408385 AWMVOYXFWUUWDL-UHFFFAOYSA-N 328.347 1.927 0 40 EDAB CN(C)CCOC[C@H]1CN(C(=O)c2ccsc2)Cc2nnn(C)c21 96045448 XPSHLFLOAABODT-CYBMUJFWSA-N 349.460 1.194 0 40 EDAB CCc1cccc2c(CCNC(=O)N[C@@H]3CCS(=O)(=O)C3)c[nH]c12 96405608 OEXXPDXBCLOZTN-CQSZACIVSA-N 349.456 1.759 0 40 EDAB CCCCNC(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CN2C 96237868 VDCXCQURGHEJIC-LJQANCHMSA-N 344.459 1.919 0 40 EDAB Cc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)no1 96181798 LEMLNUZCDPWERQ-CABCVRRESA-N 333.319 1.659 0 40 EDAB Cn1nc(CNC(=O)[C@@H]2COc3ccccc3O2)c2c1CCCC2 96099129 NRUDNLAMKAUFGT-KRWDZBQOSA-N 327.384 1.755 0 40 EDAB CCn1ncc2c1[C@H](COCC1CC1)N(C(=O)c1ccncn1)CC2 96197846 VFYKWAYDQHJCGB-INIZCTEOSA-N 341.415 1.859 0 40 EDAB Cn1cccc1C(=O)NC[C@@H]1COCc2c(-c3ccoc3)nnn2C1 96045662 NSTWKGRJCJIAPU-LBPRGKRZSA-N 341.371 1.453 0 40 EDAB c1ccc(CN2CCOC[C@]3(CCN(c4ncccn4)C3)C2)nc1 96202309 UHTFLLQVNWPMPP-GOSISDBHSA-N 325.416 1.601 0 40 EDAB O=C(c1ccco1)N1CCc2ncc(CN3CCOCC3)n2CC1 96196906 SXUODEICBQSYLF-UHFFFAOYSA-N 330.388 1.007 0 40 EDAB COCCC(=O)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2 96207084 FCFHGFVOYZLQPC-INIZCTEOSA-N 334.416 1.895 0 40 EDAB CCC(CC)n1nc(C)cc1C(=O)N1CCC[C@@](O)(c2cnn[nH]2)C1 583618940 KZKIYLVQQCGVLU-KRWDZBQOSA-N 346.435 1.795 0 40 EDAB CN1C(=O)C[C@@H](NCc2noc(C(C)(C)C)n2)[C@@H]1c1cccnc1 583620196 UISVDVUZEWKRBD-DOMZBBRYSA-N 329.404 1.824 0 40 EDAB C[C@@H]1C[C@@H](N(C)CCNS(C)(=O)=O)CCN1Cc1ccccc1 96414938 XOMJIRFCRRGFOH-WBVHZDCISA-N 339.505 1.521 0 40 EDAB Cc1ccc(CN2CCC[C@@]3(COCCN(Cc4c[nH]nn4)C3)C2)o1 96049501 KIQFGRWPRHMOCU-GOSISDBHSA-N 345.447 1.821 0 40 EDAB CS(=O)(=O)[C@@H]1[C@@H](C(N)=S)[C@H]1c1ccc(Br)cc1 242750514 ZPJOFTHBLNKGLK-UTLUCORTSA-N 334.260 1.862 0 40 EDAB Cc1cc(CN2CC3(C2)OCC[C@H]3CCOCC(=O)N(C)C)no1 247960709 FEQIZNAQLPKXNQ-CQSZACIVSA-N 337.420 1.069 0 40 EDAB Cn1cc(C(=O)N2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)cn1 248145599 RUIBCGKSDBCHIE-MRXNPFEDSA-N 349.431 1.237 0 40 EDAB Cn1ccnc1C(=O)N1C[C@H]2CCC[C@H](Cc3cncnc3)[C@H]2C1 257235184 GWVCYHVVFRVKOJ-BZUAXINKSA-N 325.416 1.941 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c2c(C)noc2n1 257249820 JJXFXIWDUWUDPP-IIAWOOMASA-N 344.415 1.557 0 40 EDAB Cc1cc(CCC(=O)N2CC(N3C(=O)CNC3=O)C2)ccc1Cl 253473933 ZYIXTDIVPMLFJF-UHFFFAOYSA-N 335.791 1.344 0 40 EDAB Cn1cc(CCC(=O)N2C[C@@H]3C[C@H](C2)C3NC(=O)OC(C)(C)C)cn1 585083507 XZADTJFCDRAWAJ-MZBDJJRSSA-N 348.447 1.724 0 40 EDAB Cc1nc(CC(=O)N(C)[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)cs1 257262631 LMDLKHUMRSOADQ-BFYDXBDKSA-N 347.440 1.818 0 40 EDAB CCN(Cc1cccc(F)c1)C(=O)Cn1cnc2onc(C)c2c1=O 585118420 NYOUYYNRTWFNLJ-UHFFFAOYSA-N 344.346 1.881 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCO[C@@H](c3cccc(N)n3)C2)n1 257263410 LPURGFDDBPHRPZ-CYBMUJFWSA-N 345.403 1.703 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1 257247826 JARYMDISDJXLAW-INIZCTEOSA-N 345.447 1.922 0 40 EDAB CCS(=O)(=O)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 253493872 VPJMTPZFNYFBTI-RYUDHWBXSA-N 333.413 1.135 0 40 EDAB CCCn1cc(CN2CCO[C@H](CCc3cc(O)ncn3)C2)cn1 257283848 PADCJVCBQJFYBJ-MRXNPFEDSA-N 331.420 1.622 0 40 EDAB O=S(=O)(NCCN[C@H]1CCCC12CCOCC2)c1ccccc1 252496847 PSWOHUAIYUUVGD-INIZCTEOSA-N 338.473 1.904 0 40 EDAB CN(C)c1cc([C@@H]2CCCN2C(=O)c2cnc(O)nc2O)ccn1 257249573 JIYXQHVLOQLZOV-LBPRGKRZSA-N 329.360 1.326 0 40 EDAB CNc1cnc(C[C@H]2CCCN(C(=O)Cc3nonc3C)CC2)cn1 257304738 SMYVGTVRZMKFOK-ZDUSSCGKSA-N 344.419 1.624 0 40 EDAB O=C(O)COc1ccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 257232454 GKXJGUQIWKJFLX-QZTJIDSGSA-N 343.379 1.774 0 40 EDAB CC(C)[C@@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 260905833 SVBZTMOMQGNJPN-BXUZGUMPSA-N 326.418 1.374 0 40 EDAB CCc1ccc(C(=O)N2CCN(c3nccn4cnnc34)CC2)cc1 266440485 LHOSUVSRUSOTGY-UHFFFAOYSA-N 336.399 1.649 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN(C)c2cccc(C(=O)O)n2)cc1 263384463 DKFNVIZYYBNJAO-UHFFFAOYSA-N 349.412 1.503 0 40 EDAB COc1cc(OC)cc(S(=O)(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)c1 276099318 IQWWZWRTBXFTEA-YGRLFVJLSA-N 343.401 1.435 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NCc3cnn(CCO)c3)cc2)n1 1615614715 JPEWKTKVOGBYIO-UHFFFAOYSA-N 339.399 1.608 0 40 EDAB C[C@H]1[C@@H](C)N(C(=O)c2ccc(OCC(=O)O)cc2)CC[S@]1=O 595281608 OQUAMBYMXPHAOY-NFULHVNHSA-N 325.386 1.132 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N(C1CC1)[C@@H](C)C(=O)O 1615046474 ANJXSUJUZHFPMV-QMMMGPOBSA-N 333.793 1.975 0 40 EDAB CC[C@@H](NC(=O)c1cnc2cc(OC)ccc2c1)[C@@H](O)C(=O)OC 1615551305 XIJLRNUJKMBEAY-UKRRQHHQSA-N 332.356 1.286 0 40 EDAB CCN1C(=O)C[C@H](C(=O)NCC2(OC)CCCC2)[C@H]1c1nccn1C 1615591278 SINZVMTURNZFNH-ZFWWWQNUSA-N 348.447 1.405 0 40 EDAB CN(Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCC2CCOCC2)[C@@H]1O 585280493 JMHKZDNTSDJPJA-QRVBRYPASA-N 346.471 1.801 0 40 EDAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)/C=C/c2cnn(C)c2)C1 585289383 FOTNISYWBBORPN-KGVXHEBISA-N 330.432 1.683 0 40 EDAB CC(C)(C(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1)n1cncn1 585280434 IWHZYKQRGGZXRX-CVEARBPZSA-N 328.416 1.465 0 40 EDAB C[C@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)[C@H]1C[C@H]1C 585097442 KDBFGZWLIHTIJK-XUJVJEKNSA-N 330.432 1.654 0 40 EDAB O=c1cc2c(nn1CCNS(=O)(=O)c1cccs1)CCCC2 585150021 QUWFFJSYFVUSFS-UHFFFAOYSA-N 339.442 1.162 0 40 EDAB Cc1noc(CCCC(=O)N2CCC[C@H](c3nc(N(C)C)no3)C2)n1 684523082 SZEQRPRGJKQDTH-LBPRGKRZSA-N 348.407 1.556 0 40 EDAB CN1CC[C@H](CNC(=O)N2CCC(C(N)=O)CC2)c2ccccc21 56488558 WUUZNSFKJPMQCR-CQSZACIVSA-N 330.432 1.517 0 40 EDAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc[nH]c3=O)CC2)nc1 57199350 COXSBJWURXEXQW-UHFFFAOYSA-N 340.383 1.569 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc2c1OCCO2 58906821 WMZHEDVHCJDQAJ-UHFFFAOYSA-N 346.408 1.668 0 40 EDAB O=C1NCc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc21 69920280 QYUXAQXAMTXILI-OAHLLOKOSA-N 349.390 1.917 0 40 EDAB O=C(Nc1ccnn1C[C@@H]1CCOC1)[C@@H]1COc2ccccc2O1 65554330 ANNZSQXBOUVLPF-WFASDCNBSA-N 329.356 1.698 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 68137282 RULDGQHJZQHDKD-UHFFFAOYSA-N 327.344 1.331 0 40 EDAB O=S(=O)(NCC[C@H](O)C1CC1)c1ccc(Br)cc1 77108116 SNPYFJVLTVVGIP-LBPRGKRZSA-N 334.235 1.888 0 40 EDAB Cn1cc(Br)cc1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 97079990 MIVXMSWSOAWZRK-VIFPVBQESA-N 340.221 1.528 0 40 EDAB C[C@H](O)C[C@H]1COCCN1C(=O)NCCC1Cc2ccccc2C1 97162027 OVOPFYCDRODISB-KSSFIOAISA-N 332.444 1.973 0 40 EDAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C2 97198305 ZVXYAKFDAYEIIN-RYUDHWBXSA-N 339.461 1.046 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCN(C[C@H](O)C3CC3)CC2)c1 85436611 SXHYAMJHMQVRHT-KRWDZBQOSA-N 334.416 1.233 0 40 EDAB COc1cc(C(C)=O)ccc1OCC(=O)NCc1cc(C)ncn1 585359066 AMPDHFGTCZYFRH-UHFFFAOYSA-N 329.356 1.691 0 40 EDAB C[C@H](c1nc(-c2ccccc2)no1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1616039485 YOGUKKCFTQBZBP-KVRLPLMBSA-N 339.351 1.960 0 40 EDAB O=C1NC[C@]2(CCCN(CC(=O)N3CCCC3)C2)Oc2ccccc21 12087281 BAFZXRPGOBCTRG-IBGZPJMESA-N 343.427 1.266 0 40 EDAB Cc1nc2cccnc2n1C1CCN(CC(=O)N2CCOCC2)CC1 12114697 RPHOHKMNLOWIEM-UHFFFAOYSA-N 343.431 1.235 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H](C)C1)n1nc(-c2ccco2)cc(N)c1=O 12181493 IEUJOOSVGASPHR-NEPJUHHUSA-N 330.388 1.905 0 40 EDAB COc1ccccc1C[C@H](C)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 12196688 ACUBDKJITCKJJW-YVEFUNNKSA-N 342.399 1.669 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCCc1ccncc1 19576289 KLHNRSQOPPVSNH-RZQQEMMASA-N 349.390 1.828 0 40 EDAB Cc1noc(C)c1C(=O)N1CCC[C@H](NC(=O)c2cnccn2)CC1 19749082 LKNLENYBNXEGQO-ZDUSSCGKSA-N 343.387 1.506 0 40 EDAB COc1ccc(CCN2CCN(c3ccc(N(C)C)nn3)CC2)cc1 1889128304 GNPYLZBNPFNNIM-UHFFFAOYSA-N 341.459 1.916 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc2c(Cl)cc(Cl)cn12 28851414 DSHNQPXTFXBDBL-YFKPBYRVSA-N 348.215 1.972 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(c2nnc(C3CC3)o2)CC1 38518786 FLJPZBTZEVFKOE-UHFFFAOYSA-N 331.376 1.709 0 40 EDAB COc1nccn2c(CNC(=O)c3ccc(F)c(Cl)c3)nnc12 245015171 LOWCOKMRJYXRKC-UHFFFAOYSA-N 335.726 1.855 0 40 EDAB CN1CCCC[C@@]2(CN(Cc3ccc4c(c3)OCCO4)CCO2)C1=O 2037978443 WMHAONSFTIVVIS-LJQANCHMSA-N 346.427 1.671 0 40 EDAB COc1cnc(O[C@@H]2CCN(CC(=O)NC3CCCCC3)C2)nc1 2087048818 CHOCCGXWHQQYSJ-CQSZACIVSA-N 334.420 1.387 0 40 EDAB O=S(=O)(NCC1(OCCO)CCCC1)c1cccc(Cl)c1 1565520545 YTSISOJFCKAPJO-UHFFFAOYSA-N 333.837 1.940 0 40 EDAB O=C(N1CCCn2c(CNc3cccnc3)nnc2C1)C1(F)CCC1 1565546760 KCYCBNGNEZNMGY-UHFFFAOYSA-N 344.394 1.910 0 40 EDAB COc1cnc(C(=O)N2CCc3ncnc(NC4CC4)c3CC2)nc1 1565545154 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O=C(CN1CCN(c2ccccn2)CC1)N1CCO[C@H]2CCCC[C@H]21 51225954 PEIFUUXEJKOYIE-SJORKVTESA-N 344.459 1.374 0 40 EDAB CCc1nc(CN2CCC[C@H](NCc3nc(C)ccc3O)C2)no1 69562821 XZJVFKBODLWHII-ZDUSSCGKSA-N 331.420 1.795 0 40 EDAB CS(=O)(=O)Nc1ccccc1C(=O)N1CCO[C@H]2CCCC[C@H]21 69514602 FHBCIXJUURMQOO-CABCVRRESA-N 338.429 1.842 0 40 EDAB CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)COCC(F)(F)F)CC1)C2 101794013 DHANLDWPJCFKSU-STQMWFEESA-N 349.397 1.335 0 40 EDAB C[C@@H](CNC(=O)Nc1cccc(Cn2cncn2)c1)Cn1cccn1 52463822 IYYZPDMDNVBJGF-AWEZNQCLSA-N 339.403 1.981 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1 6467777 WZOOEAPWUNUYFT-ZDUSSCGKSA-N 348.424 1.678 0 40 EDAB O=C(CNC(=O)c1ccccc1F)NCC(=O)OCc1ccccc1 17638962 SEWJNTZBGBLWDR-UHFFFAOYSA-N 344.342 1.415 0 40 EDAB CCN(Cc1ccc(OC)cc1)Cc1nc2c(cnn2C)c(=O)[nH]1 52829400 YGIWGENWSRRJJN-UHFFFAOYSA-N 327.388 1.687 0 40 EDAB C[C@H](NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1)c1ccncc1 106931943 UZROWWSMMMIPKL-VHSSKADRSA-N 339.395 1.857 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 53475906 PWTWBWKCZANMME-VIFPVBQESA-N 340.326 1.386 0 40 EDAB CCOC(=O)[C@H](C)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 53239096 BLSULKIZADPERY-NSHDSACASA-N 332.356 1.017 0 40 EDAB CC(C)/N=c1\ccccn1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 104574268 BYXJVYHEHAAZFZ-YZGLPLCXSA-N 325.434 1.109 0 40 EDAB O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 42477174 IPUSLDKNRYOTEY-DGCLKSJQSA-N 349.818 1.478 0 40 EDAB CC(C)[C@H]1NC(=O)N(CCOc2ccc3c(c2)CCC(=O)N3)C1=O 69742325 AAXWHPKKKMLBSV-OAHLLOKOSA-N 331.372 1.527 0 40 EDAB CCc1nc(CN2CCCN(C(=O)[C@@H]3CCCN3C)CC2)cs1 69779160 KEWQCXMCTJIXFL-HNNXBMFYSA-N 336.505 1.834 0 40 EDAB CC[C@@H]1CCCCN1CCNC(=O)Cn1ncc(=O)c2ccccc21 69737410 MIHBUNPNZXFLMD-OAHLLOKOSA-N 342.443 1.777 0 40 EDAB C[C@H](O)CN1CCC(CN(C)[C@H](C)C(=O)NCC(F)(F)F)CC1 106786779 GGRQORKFGRDLBE-NWDGAFQWSA-N 339.402 1.078 0 40 EDAB Cc1cccn2cc(CC(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)nc12 78789595 LRTOHVYXSAHABR-DLBZAZTESA-N 342.443 1.243 0 40 EDAB Cn1nc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)ccc1=O 25463840 OLPZQWPUODJIDP-UHFFFAOYSA-N 340.427 1.347 0 40 EDAB CCOC(=O)[C@](O)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F 1896953 YMBZMWWUFCKKSO-LLVKDONJSA-N 325.670 1.884 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C(=O)N3c4ccccc4[C@H]4OCC[C@H]4[C@@H]3[C@]23C=C[C@H]1O3 104294208 ADBRMMHYTJFVFR-LLNBWRIOSA-N 339.347 1.517 0 40 EDAB CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 1926301 IEGCFAAXNWYWRC-UHFFFAOYSA-N 347.352 1.380 0 40 EDAB CCOc1ccc([C@@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)cc1 57896127 FQGHGEWDAXQWIN-KRWDZBQOSA-N 343.427 1.820 0 40 EDAB COCc1c(C(=O)NC[C@H]2CCS(=O)(=O)C2)oc2ccccc12 44720946 JIYSUHYWSIKJAN-LLVKDONJSA-N 337.397 1.744 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3337012 OHWLNWJAQSQLOH-ACJLOTCBSA-N 329.400 1.855 0 40 EDAB CCOc1ccccc1OC1CCN([C@H](C)C(=O)NC(=O)NC)CC1 58179828 APCASSFUUUMHHT-CYBMUJFWSA-N 349.431 1.773 0 40 EDAB NC(=O)Cn1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)n1 58246157 BEJJFYBEABNZFB-UHFFFAOYSA-N 345.746 1.929 0 40 EDAB CC(C)NC(=O)Cn1nnc(-c2cc(F)ccc2Br)n1 58208542 XKPIQQIPFUISBV-UHFFFAOYSA-N 342.172 1.766 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCNc2ccccc2)CC1 58282137 BHPHDPFSNWGWNU-HNNXBMFYSA-N 344.459 1.300 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cccc(Nc2ncccn2)c1 44908509 QGWVBJCWOJYBAU-LBPRGKRZSA-N 346.412 1.385 0 40 EDAB CN(C)c1ccc(CNC(=O)N[C@H]2CCCc3c2cnn3C)cn1 44954681 BDCJXAGNFLIPHI-AWEZNQCLSA-N 328.420 1.758 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 69870707 ZBGUGRQKZLUURY-GFCCVEGCSA-N 330.350 1.773 0 40 EDAB Cn1ncc2c(N3CCN(CC(=O)c4cccs4)CC3)ncnc21 44976481 UYAVDJBREBBEQT-UHFFFAOYSA-N 342.428 1.430 0 40 EDAB Cc1csc(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)n1 27816017 VABYRIWXGAERJN-UHFFFAOYSA-N 333.461 1.693 0 40 EDAB CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H](C)Cn1ccnc1 58412682 JPAWZLZHNZHJGX-HNNXBMFYSA-N 346.479 1.755 0 40 EDAB COc1cc(CNC(=O)N2CCN(c3ccccc3O)CC2)ccn1 45521941 UEOCQGWKQJENLC-UHFFFAOYSA-N 342.399 1.828 0 40 EDAB CS(=O)(=O)CCNCc1ccc(OCc2cscn2)cc1 62423091 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QJBAPFRMBPXEKQ-CQSZACIVSA-N 347.434 1.775 0 40 EDAB Cc1ccc([C@](O)(CCNC(=O)c2ccnn2C)C(F)(F)F)o1 69415962 WZTPQYXNFWFYLI-CYBMUJFWSA-N 331.294 1.892 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCC[C@H]1c1ccc[nH]1 69419323 AURYUUWFNRJZHK-HNNXBMFYSA-N 339.399 1.874 0 40 EDAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCOCC3)cc2O1 9418879 FPBKMAANMDXNEE-UHFFFAOYSA-N 335.356 1.374 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)NCC2CC2)c(Br)c1 19844357 MDKKQUOODPMHBU-UHFFFAOYSA-N 334.191 1.836 0 40 EDAB CC1(C)CC(=O)c2cnc3nc(N4CCOCC4)[nH]c(=O)c3c2C1 19819855 MZWVKHDMRZIAQO-UHFFFAOYSA-N 328.372 1.310 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](n3ccnc3)C2)c1 71796555 YVUNUDDUSHVKOQ-AWEZNQCLSA-N 348.428 1.269 0 40 EDAB CCCN(Cc1cnn(C)c1)C(=O)NC1CCC(C(=O)NC)CC1 71885942 VDFYRTNCKQYHEL-UHFFFAOYSA-N 335.452 1.647 0 40 EDAB O=C([C@@H]1CCCN1C(=O)c1n[nH]c2ccccc12)N1CCSCC1 71898248 DYYZFEFRGBKYPY-AWEZNQCLSA-N 344.440 1.743 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2ccncc2)C(N)=O)cc1 71826777 NSZATMXVMQBSMO-HNNXBMFYSA-N 327.384 1.554 0 40 EDAB CCc1cc(N[C@H]2CCCc3c2cnn3CCO)n2ncnc2n1 71811054 ZMLMPJWMNMWNAE-ZDUSSCGKSA-N 327.392 1.365 0 40 EDAB CCCCN(C)c1ncc(Cl)c(C(=O)N2CCNC(=O)CC2)n1 71839476 UTCHLYWYEGKSBZ-UHFFFAOYSA-N 339.827 1.328 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCCC[C@H]1Cn1cc(C)cn1 71866010 YQVWKJCZVRHUEP-CABCVRRESA-N 341.477 1.786 0 40 EDAB O=C(Nc1ccccc1S(=O)(=O)N1CCOCC1)c1ccco1 78897914 YRUOZXXRJVGTSJ-UHFFFAOYSA-N 336.369 1.553 0 40 EDAB Cc1nnc(CN(C(=O)Cn2nc3ccccn3c2=O)C(C)(C)C)o1 97019987 IWZSHSBPALDCLT-UHFFFAOYSA-N 344.375 1.015 0 40 EDAB O=C1CNC(=O)N1CCN1CCN(CC(F)(F)F)c2ccccc21 78972858 FWMNVWFKLDRTCL-UHFFFAOYSA-N 342.321 1.427 0 40 EDAB CCc1noc(CC)c1CC(=O)N1CCC[C@@H](N2CCNC2=O)C1 87191729 JLQQEPMUMMLKMB-GFCCVEGCSA-N 334.420 1.358 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)NCCc2csc(N3CCCC3)n2)c1C 72287604 VNYFRYLQBBWLBZ-UHFFFAOYSA-N 347.444 1.416 0 40 EDAB C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)NCCc1c[nH]c2ccccc12 72267891 AWIMPCXXFAVQPL-ZBFHGGJFSA-N 344.459 1.135 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CCCCN1Cc1ccncc1 72270385 JHRGWINGGWQRRO-SJORKVTESA-N 339.443 1.764 0 40 EDAB O=S(=O)(NCCN1CCC(c2cn[nH]c2)CC1)c1ccccc1 97202833 OEXKRAFEGSYZHQ-UHFFFAOYSA-N 334.445 1.568 0 40 EDAB CN(CC(=O)N1CCC[C@H]1c1cccnc1)c1ncnc2[nH]cnc12 79389044 LFANUPMICQTBSN-ZDUSSCGKSA-N 337.387 1.548 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(CCc3ccc4c(c3)CCO4)C2)C1=O 84597370 QYUFYOZTWGFKJM-IBGZPJMESA-N 343.427 1.569 0 40 EDAB COC(=O)[C@H](NC(=O)[C@H]1CCCN(C(=O)N(C)C)C1)C(C)(C)C 95398856 XNRQEAVIQWHQPH-RYUDHWBXSA-N 327.425 1.084 0 40 EDAB CC(C)n1ccc(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)n1 95396525 DENOHTQBAMEWNI-CYBMUJFWSA-N 341.415 1.572 0 40 EDAB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(COC)cc1 84736320 LIQRCTZDIWNDDY-SJORKVTESA-N 340.489 1.983 0 40 EDAB CN1CCC[C@H](CNS(=O)(=O)c2ccc(Br)cn2)C1 95402876 MIXVBNMOQBXLSD-SNVBAGLBSA-N 348.266 1.464 0 40 EDAB O=C(NCCCCC(F)(F)F)N1CCC(N2CCNC2=O)CC1 95434437 GKDRVPYUYFCSLP-UHFFFAOYSA-N 336.358 1.918 0 40 EDAB CN(CCNC(=O)N1CCN(Cc2ccon2)CC1)c1ccccc1 73559112 YUOPWPSUSNTFCR-UHFFFAOYSA-N 343.431 1.638 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CCC(F)(F)F)CC1 88212975 NLEYFNSTLFANPL-GFCCVEGCSA-N 335.370 1.484 0 40 EDAB Cn1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)ccc1=O 95949440 DYDWYTOLWHCZHJ-UHFFFAOYSA-N 325.412 1.733 0 40 EDAB C[S@@](=O)c1ncn(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)n1 95974843 ZMDKNRAWUASWGR-SAHAZLINSA-N 333.335 1.638 0 40 EDAB COc1ccccc1[C@H](CNC(=O)[C@H]1CNC(=O)N1)N1CCCCC1 89473465 UKRYUABKBVVELT-CABCVRRESA-N 346.431 1.020 0 40 EDAB CCC[C@H](C)N1C[C@H](C(=O)N2CCC(c3nncn3C)CC2)CC1=O 75120924 RFLIYDZQHLOWKX-DZGCQCFKSA-N 347.463 1.558 0 40 EDAB COc1ccc(Br)c(C(=O)O[C@@H](C)C(=O)N(C)C)c1N 75146660 JHROTEIFYVQRJB-ZETCQYMHSA-N 345.193 1.673 0 40 EDAB COC(=O)c1ccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)nn1 89643847 WGLXCGCIWMNFBD-CABCVRRESA-N 342.399 1.311 0 40 EDAB Cn1cc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c2ccccc21 89749898 NIZPAWWVVUIPNJ-ZDUSSCGKSA-N 349.456 1.580 0 40 EDAB CCN(CC)C(=O)[C@@H](SCc1nc(N)nc(N)n1)c1ccccc1 89967586 OBNPROUPWZJPRB-ZDUSSCGKSA-N 346.460 1.879 0 40 EDAB C[C@@H](NC(=O)NCCCN1CCC(C(N)=O)CC1)c1ccccn1 89909935 IKSZIDWUUIDJLC-CYBMUJFWSA-N 333.436 1.029 0 40 EDAB COc1ccc2c(C(=O)N3CCC[C@H]([C@H]4CCNC4)C3)cnn2c1 1549171613 BBIBXBCHKOJUEN-KBPBESRZSA-N 328.416 1.805 0 40 EDAB Cc1nc(CCC(=O)NCC(=O)O)cc([C@H]2CCCN2C(C)C)n1 72366953 LCWYYHSXTODTQI-OAHLLOKOSA-N 334.420 1.464 0 40 EDAB Cc1cc(C)n(CCCNC(=O)[C@H]2CCC(=O)N2Cc2ccco2)n1 72239548 BGFYPIXFGZSZHT-MRXNPFEDSA-N 344.415 1.790 0 40 EDAB COc1ccc(CCS(=O)(=O)NC[C@H](O)c2ccsc2)cc1 56906381 QDGBDZALFSCWJR-HNNXBMFYSA-N 341.454 1.952 0 40 EDAB COc1ccc(C)cc1NC(=O)Cn1nc(-n2cccn2)ccc1=O 70655877 GLJPKXJOPQGASR-UHFFFAOYSA-N 339.355 1.385 0 40 EDAB O=C(OCc1ccccc1)N1CC[C@@H]2NCCS(=O)(=O)[C@@H]2CC1 1565504638 IYHSXEGXXVTNBL-LSDHHAIUSA-N 338.429 1.174 0 40 EDAB COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2OC)C1 73635736 WIXFNEOJXQHZEE-MRVPVSSYSA-N 328.162 1.984 0 40 EDAB C[C@@H](c1ccc(F)cc1)N(C)CC(=O)N[C@]1(C)CCS(=O)(=O)C1 35264461 JFLIUXGHAHHPJB-BLLLJJGKSA-N 342.436 1.512 0 40 EDAB CNC(=O)c1cncc(/C=C/C(=O)N2CCOc3ccccc3C2)c1 78883163 VJLXKDIGJGBVAO-VOTSOKGWSA-N 337.379 1.876 0 40 EDAB COc1ccc(C(=O)N2[C@@H](C(=O)O)COC23CCN(C)CC3)cc1 71979965 YUHPYOCFSDHQCC-CQSZACIVSA-N 334.372 1.043 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)N1CCC2(CCNCC2)CC1 562794883 SXYMMTYRTCYGKQ-UHFFFAOYSA-N 333.480 1.755 0 40 EDAB NS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)o2)cc1 41127351 OKFVTEHYHWCUGH-UHFFFAOYSA-N 336.369 1.066 0 40 EDAB O=C([C@H]1CCc2[nH]cnc2C1)N1CCN(Cc2ccncc2)CC1 225511064 RFSHXAWVWDVROW-HNNXBMFYSA-N 325.416 1.254 0 40 EDAB CC(C)(C)[C@H](O)CCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 75157833 LCWPNKPXLBEEIR-CQSZACIVSA-N 336.388 1.310 0 40 EDAB CN1C(=O)c2ccc(F)cc2O[C@H]2CN(Cc3cncnc3)C[C@H]21 514288591 FFKBQLBFRSNYNN-ZBFHGGJFSA-N 328.347 1.333 0 40 EDAB biogenic,in-vitro C[C@H](O)Cn1cnc2c(I)cc(F)cc2c1=O 574039316 HATYCGRVWACPIE-LURJTMIESA-N 348.115 1.521 0 40 EDAB COCc1ccc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)o1 81463190 AXENXNSKOHYLOH-UHFFFAOYSA-N 348.321 1.957 0 40 EDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@]1(C)Cc1ccccc1 194086007 WQZPUHSYLGRWNU-YOEHRIQHSA-N 338.473 1.890 0 40 EDAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccco3)C[C@H]12)c1ccno1 96185489 IKLJIUKZGYIPQK-DUVNUKRYSA-N 331.372 1.535 0 40 EDAB O=C(c1ccncn1)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 96108158 NZHXFTDKYZRIAQ-XJKSGUPXSA-N 328.372 1.043 0 40 EDAB C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2F)[C@@H]1C(=O)O 1594433370 ZLNAEOXHSFXYTD-KBUNVGBDSA-N 349.311 1.147 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2C(=O)[C@@H]2CCCO2)N1Cc1cccnc1 96186361 TVEMNXCHFXCJKN-JYJNAYRXSA-N 329.400 1.353 0 40 EDAB CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cccc(C)n3)C[C@H]2N1C(C)C 96054237 XOAUGECPEHWJDS-CWRNSKLLSA-N 330.432 1.059 0 40 EDAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccsc1 96062100 YAEZHRZFZXLXOF-LLVKDONJSA-N 328.401 1.801 0 40 EDAB O=C(NC1CC1)N[C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 96189771 PBIZRHMNUMJDSN-INIZCTEOSA-N 344.459 1.263 0 40 EDAB CN(C)CCn1c2c(ccc1=O)C[C@@H](NC(=O)c1ccsc1)CC2 96189642 MMGBCCHEUVZPLZ-HNNXBMFYSA-N 345.468 1.759 0 40 EDAB COc1ccc(N2CCC[C@H](C(=O)N[C@H]3CCOC(C)(C)C3)C2)nn1 96230686 SHYPLNRBYSZPQU-KBPBESRZSA-N 348.447 1.775 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1cccnc1 96041747 QPNGAQOCMTUZLN-ARFHVFGLSA-N 338.429 1.322 0 40 EDAB C[C@H]1COCCN1S(=O)(=O)NCCc1csc2ccccc12 95402865 UYTFAACOUZNRID-LBPRGKRZSA-N 340.470 1.999 0 40 EDAB CCn1c(CN2CCC[C@@](O)(c3cnn[nH]3)C2)nc2c(F)cccc21 583618005 TZIZZIWMPQZPBS-KRWDZBQOSA-N 344.394 1.797 0 40 EDAB CC(C)N1[C@H](Cn2cncn2)C[C@@H]2CN(c3ncccn3)CC[C@@H]21 96185638 SKBZLZRDFQCBON-PMPSAXMXSA-N 327.436 1.446 0 40 EDAB Cn1cc(C(=O)N2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)cn1 96108902 LSRBCSWYYKLYAC-SJLPKXTDSA-N 342.399 1.121 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(Cc1ccoc1)C2)NCc1cccnc1 96209518 FNMXLFBQRDXFLP-MJGOQNOKSA-N 341.411 1.830 0 40 EDAB O=C(c1cnccn1)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1 96219075 SKKLSGSQPIDVAA-CQSZACIVSA-N 340.387 1.445 0 40 EDAB CCN(C)c1ncnc2c1CCN(S(=O)(=O)c1ccccc1)CC2 96255806 JOJOFUCLUMINJJ-UHFFFAOYSA-N 346.456 1.722 0 40 EDAB Cc1cc(CN2CC3(C2)OCC[C@@H]3CCOCC(=O)N(C)C)no1 247960707 FEQIZNAQLPKXNQ-AWEZNQCLSA-N 337.420 1.069 0 40 EDAB Cc1cccc(/C=C/C(=O)N2CCS(=O)(=O)c3c2c(C)nn3C)c1 584907221 NSLGMJQFTWNULV-BQYQJAHWSA-N 345.424 1.871 0 40 EDAB NC[C@]1(CO)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242473303 FFTOTBKRELNJLK-BBWFWOEESA-N 335.400 1.703 0 40 EDAB NC[C@]1(C(=O)O)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242554613 MOKXKSTYTPKBHM-UXLLHSPISA-N 349.383 1.795 0 40 EDAB CCOC(=O)c1cnc(N2CCC(N3CCOC[C@H]3C)CC2)nc1C 585092338 QKJVAXULCZVBHC-CYBMUJFWSA-N 348.447 1.651 0 40 EDAB COC(=O)c1cc(NC(=O)C[C@H](C)Cc2cccc(F)c2)nn1C 585128981 SRYFBCSOWXZRBE-LLVKDONJSA-N 333.363 2.553 0 40 EDAB CCOC(=O)[C@@]1(F)CN(CCO[C@H]2CCCCO2)CC12COC2 585116062 GAEMKZDJMCNPAB-BBRMVZONSA-N 331.384 1.133 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCS(=O)(=O)C3)cc2)n1 585139576 SUABPMHAFNZXBS-ZDUSSCGKSA-N 333.413 1.862 0 40 EDAB CC(C)[C@@H](SCc1ccccc1)C(=O)Nn1ccc(O)nc1=O 585128459 BPYPVUWRYJMOGL-CQSZACIVSA-N 333.413 1.977 0 40 EDAB CCc1cc(C(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3CCOC)C2)no1 257256744 KMSXNPRWWHNYMU-XJKSGUPXSA-N 349.431 1.727 0 40 EDAB Cc1ocnc1C(=O)N1CCC(c2nccnc2CN(C)C)CC1 257291154 QFXCHPMILPOBES-UHFFFAOYSA-N 329.404 1.854 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 253488971 CLLLDCPNEYEXJQ-CYBMUJFWSA-N 328.459 1.508 0 40 EDAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[C@H]1NC(=O)NC1=O 42815764 CPRGONZIDGNHGX-PSASIEDQSA-N 332.385 1.414 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NCC[C@H](O)c1ccoc1 90613232 UTOAKCQQGXIHFD-AWEZNQCLSA-N 332.356 1.144 0 40 EDAB C[C@H](CCO)CN[C@@H]1CCO[C@]12CCN(C(=O)OC(C)(C)C)C2 1616036521 XCZKFIFGLCUVGO-CPUCHLNUSA-N 328.453 1.763 0 40 EDAB C[C@H](NC(=O)C1CN(c2cc(-n3ccnc3)ncn2)C1)c1ccccc1 390829415 YKTHFQYFZJVUKM-AWEZNQCLSA-N 348.410 1.976 0 40 EDAB O=C(CNC(=O)c1ccccc1)Nc1cnn(C[C@@H]2CCCCO2)c1 390829453 YYKDDUBYJUVHEE-INIZCTEOSA-N 342.399 1.821 0 40 EDAB COc1cccc(S(=O)(=O)N2CCC[C@@H](c3ccn(C)n3)C2)c1 575615409 DJPRHFOJSDEKKZ-CYBMUJFWSA-N 335.429 1.997 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)c1ccc2ncccc2c1 585277024 FISGHVYYECOYFK-SFHVURJKSA-N 327.384 1.731 0 40 EDAB CCn1nc(C2CC2)cc1C(=O)N1CCC[C@]1(COC)CC(=O)NC 585278711 RFSXTKHZICWWBN-GOSISDBHSA-N 348.447 1.538 0 40 EDAB O=S(=O)(c1cn[nH]c1)N1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1 585279308 JXWQLLYFLYTVNX-DOMZBBRYSA-N 339.392 1.163 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2cncn2[C@@H](C(=O)NCc2cccs2)C1 585096005 KCQLBTPMLOXMQZ-KCPJHIHWSA-N 344.440 1.800 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)NCCN3C[C@@H](C)O[C@H](C)C3)cc12 48105156 VUZINFXAUFCNEK-VXGBXAGGSA-N 346.435 1.507 0 40 EDAB Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@H]1CO 133364268 QTFDOFIWUHPZSK-NSHDSACASA-N 334.235 1.903 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc(N3CCCC3)nn2)c1 70036722 GNSNQCJPZYDONX-HNNXBMFYSA-N 340.431 1.887 0 40 EDAB COC[C@@]1(C)NC(=O)N(Cc2csc(-c3cnn(C)c3)n2)C1=O 66082822 TUAPKGPSRCVPOP-CQSZACIVSA-N 335.389 1.001 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)NC(=O)c1cncnc1C1CC1 1615626890 LYQXKYBWNTZXLK-UHFFFAOYSA-N 335.360 1.920 0 40 EDAB Cc1ccccc1O[C@H](C)Cn1nnnc1N(C)C[C@@H]1COCCO1 1616031975 CDUXWVPEYWGCBT-HUUCEWRRSA-N 347.419 1.301 0 40 EDAB NC(=O)Cn1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1=O 5762741 FGGUPIWYJXQKFL-UHFFFAOYSA-N 327.167 1.937 0 40 EDAB O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1ccccn1)C2)NCc1ccco1 12114388 IKVHPMLDZNFLQI-RTHVDDQRSA-N 341.411 1.805 0 40 EDAB C[C@@H]1CCCCN1C(=O)Cn1nc2n(C)c3ccccc3n2c1=O 12145270 CTADZHRIVWRFPV-GFCCVEGCSA-N 327.388 1.389 0 40 EDAB O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccsc1 390831100 PQEPWVDLJBNLDG-CYBMUJFWSA-N 328.459 1.129 0 40 EDAB CN([C@@H]1CCN(c2nc3ccc(F)cc3o2)C1)S(=O)(=O)C1CC1 1888866342 GAJSEIJMVRTURL-LLVKDONJSA-N 339.392 1.970 0 40 EDAB Cn1cc(C(=O)N2C[C@H]3CCC[C@@]3(COc3ncc(F)cn3)C2)cn1 1888869527 MZPRCUOSCBOSIZ-DYVFJYSZSA-N 345.378 1.671 0 40 EDAB Cc1nccc(N2CC[C@H](N(C)S(=O)(=O)Cc3ccccc3)C2)n1 1888869584 FWDWLRLNYCHPKA-INIZCTEOSA-N 346.456 1.826 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@H](O)c1ccc(-n2cccn2)cc1 1888896986 VYIOJZSGGDTFTR-HNNXBMFYSA-N 341.371 1.078 0 40 EDAB CC(=O)N1CCC(NC[C@@H]2[C@@H](C)C[C@@H]3[C@H]2CC(=O)N3C2CC2)CC1 1775964208 WXXZCBIELZAORK-DUOKCRBOSA-N 333.476 1.622 0 40 EDAB biogenic,in-vitro NC(=O)CCOc1ccccc1NC(=O)CCNC(=O)c1ccco1 40549344 LLWIYASLGVYOFH-UHFFFAOYSA-N 345.355 1.292 0 40 EDAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CC[C@@H](n2nccn2)C1 244986027 JCOGTSBWGDYADX-CQSZACIVSA-N 344.400 1.100 0 40 EDAB Cc1cc(=O)n(CC(=O)NCc2ccnc(-c3cccs3)c2)cn1 244998617 KMMVGMKZIMSRIG-UHFFFAOYSA-N 340.408 1.992 0 40 EDAB Cc1cnc(C)c(OC2CCN(c3ncnc4c3ncn4C)CC2)n1 2087018079 CWLDWEHCOBEOHC-UHFFFAOYSA-N 339.403 1.818 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2ccc(C)c(F)c2)C1 2055771575 JFMLYEUHNZESQV-GOSISDBHSA-N 344.390 1.708 0 40 EDAB O=C(NCC1(N2CCOCC2)CCC1)C(=O)Nc1ccccc1F 1775974899 WEAXMAABXPVWJI-UHFFFAOYSA-N 335.379 1.135 0 40 EDAB CN(c1ncnc2ccsc12)C1CN(c2ccc3nncn3n2)C1 585592858 VSKFEMMAMBBFNH-UHFFFAOYSA-N 338.400 1.454 0 40 EDAB Cc1cnc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)nc1 2298045487 JVTSEIOMLJSBAG-UHFFFAOYSA-N 338.415 1.855 0 40 EDAB NS(=O)(=O)c1ccc(CCNCc2ccc(C(=O)O)cc2)cc1 10475155 KGJASOWGEILRNN-UHFFFAOYSA-N 334.397 1.365 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)on1 40032353 DSAGMOYVNKMRKF-UHFFFAOYSA-N 328.372 1.380 0 40 EDAB CC(C)C[C@H](NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)O 100117389 XYCDTEXPPATTQV-IHRRRGAJSA-N 347.415 1.476 0 40 EDAB Nc1nc(Cl)cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 40497811 UVWTWQUNGZDMQZ-UHFFFAOYSA-N 335.770 1.814 0 40 EDAB CC(C)COC[C@H](O)CNc1ccc2nnc(C(F)(F)F)n2n1 40542951 MZKDBYQFXKFXCU-SECBINFHSA-N 333.314 1.589 0 40 EDAB C[C@@H](CN1CCOCC1)NS(=O)(=O)C1=Cc2ccccc2CC1 40528167 IASPPUNKYJRAEA-AWEZNQCLSA-N 336.457 1.614 0 40 EDAB Cc1cc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1N1CCCC1=O 40555675 VHCQRZHPGHRRQN-DOMZBBRYSA-N 348.424 1.272 0 40 EDAB CN(C)c1cc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)ccn1 40553718 JXRDLJFCRWJOLT-AWEZNQCLSA-N 326.404 1.336 0 40 EDAB O=S(=O)(N1CC[C@H](N2CC=CC2)C1)N1CCC[C@@H]1c1ccco1 101287259 HNFWODXNFRBGCU-LSDHHAIUSA-N 337.445 1.607 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cn(-c2ccc(C)cc2)nn1 32178243 RHITVTGKTPBUCN-HNNXBMFYSA-N 327.388 1.316 0 40 EDAB O=C(CN1CSCC1=O)NC1CCN(Cc2ccccc2)CC1 20903568 NNKAYJMMGQAJSD-UHFFFAOYSA-N 333.457 1.300 0 40 EDAB O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCOCC1 1463572 XPQIMZXYFHVERT-OAHLLOKOSA-N 338.429 1.089 0 40 EDAB O=C(CCc1ncc(-c2ccccc2)o1)N[C@@H]1CCS(=O)(=O)C1 41018845 MVAVLWBENVSOCL-CYBMUJFWSA-N 334.397 1.578 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)no1 2643435 HLDXLJPVKIWPAZ-ZDUSSCGKSA-N 342.355 1.475 0 40 EDAB COc1ccc(CC(=O)N2CCN(c3ccncc3)CC2)cc1OC 8097896 CZKFWPXOZBIPSN-UHFFFAOYSA-N 341.411 1.990 0 40 EDAB CCOCCCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 4984139 KSHJWTBQGLVRBR-OWBHPGMISA-N 331.372 1.921 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)c(C)c1 8379008 KVQORIWDAVLOLB-UKRRQHHQSA-N 336.457 1.792 0 40 EDAB C[C@H](NC(=O)c1ccc(O)nn1)c1ccc(NC(=O)NC2CC2)cc1 53471674 SQNMKXDDQXHTRL-JTQLQIEISA-N 341.371 1.957 0 40 EDAB C[C@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)Cn1cccn1 53545015 VFSBVQLZGCMTSG-HUUCEWRRSA-N 328.420 1.342 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1 56073220 UNVYNZUWNCSOMJ-LLVKDONJSA-N 348.371 1.864 0 40 EDAB CCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1 811584 HGWDPGLUIUEKIB-UHFFFAOYSA-N 325.415 1.654 0 40 EDAB COCC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 58265532 DMEFKNMEXJXRRO-UHFFFAOYSA-N 327.280 1.574 0 40 EDAB CC(C)/N=c1\ccccn1C(=O)C1CCN(S(C)(=O)=O)CC1 104721845 GRISUTXTVYFASH-JQIJEIRASA-N 325.434 1.109 0 40 EDAB CN(Cc1ccccc1F)C(=O)Cn1nnc2ccccc2c1=O 23484423 ACXXLZLZXXXDLL-UHFFFAOYSA-N 326.331 1.589 0 40 EDAB NC(=O)c1ccc(CN2CCN(Cc3cn4ccccc4n3)CC2)cc1 54615380 MFBKAYHUGDSZGE-UHFFFAOYSA-N 349.438 1.751 0 40 EDAB COCCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321417 LJAGSHBKZVIZSW-AWEZNQCLSA-N 329.400 1.783 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)N[C@@H]1CCCN(c2ncccn2)C1 43049156 FDEYKXZHRDTTNF-CVEARBPZSA-N 341.415 1.478 0 40 EDAB NC(=O)c1cnc(NCc2cccnc2N2CCOCC2)c(Cl)c1 47255273 XCADDGOBGJPNDN-UHFFFAOYSA-N 347.806 1.678 0 40 EDAB Cn1c(C(=O)Nc2nccs2)cc2c(=O)n3ccccc3nc21 2917177 PFWLUBPAAXDOCO-UHFFFAOYSA-N 325.353 1.895 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3csc4ccccc34)CC2)N1 24961074 CDLLQDKXRFHORP-UHFFFAOYSA-N 329.381 1.716 0 40 EDAB C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 106656769 GADKHTYZANLQKE-DSRCVFDASA-N 336.457 1.817 0 40 EDAB C[C@@H](C(=O)N1CCOCC1)N1CCC(NC(=O)c2ccccc2)CC1 25826444 HGKYWPAMBOVVGS-HNNXBMFYSA-N 345.443 1.128 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)NCCCOc1ccc(OC)cc1 56954919 XYLVHLNEKSUHTR-ZDUSSCGKSA-N 337.420 1.678 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(C(=O)C3CC3)CC2)c1C 35286842 DORFKBBQPNZQSJ-ZDUSSCGKSA-N 345.443 1.960 0 40 EDAB CN(c1ccccc1)C1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 57089042 QVOSUCHVNCMJKQ-AWEZNQCLSA-N 336.457 1.549 0 40 EDAB CCN(CC)C(=O)C1CCN(C(=O)CNC(=O)c2ccccc2)CC1 57557820 KYWVGFSHQZUMNE-UHFFFAOYSA-N 345.443 1.523 0 40 EDAB O=C(NCCCOCc1ccco1)Nc1cnn(-c2ncccn2)c1 76023268 PQSYZGSLFWWKQH-UHFFFAOYSA-N 342.359 1.984 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CCNc2ccccc2)CC1 58282138 BHPHDPFSNWGWNU-OAHLLOKOSA-N 344.459 1.300 0 40 EDAB NC(=O)CN1CCC(NC(=O)N2CCC[C@@H]2c2cccs2)CC1 44967556 MBFTWPBMYMFNRK-CYBMUJFWSA-N 336.461 1.544 0 40 EDAB O=C(N[C@H]1CCOc2ccccc21)c1sccc1-n1cnnn1 44935082 UKYOGIDIQRJWIL-NSHDSACASA-N 327.369 1.977 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)NCc2cccnc2)c1 44955372 ANEFQCLYQDCRKH-HNNXBMFYSA-N 331.372 1.632 0 40 EDAB COc1ccc(C(=O)NCC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 58305475 AKDNDQRRZMIPAZ-HOTGVXAUSA-N 332.400 1.595 0 40 EDAB CCOc1ccccc1OC1CCN(CCCC(=O)NC(N)=O)CC1 58305550 SPRFFSALJAUDOV-UHFFFAOYSA-N 349.431 1.904 0 40 EDAB Cc1cc(CN2CCN([C@H](C)C(=O)NCc3cccs3)CC2)no1 58415338 HSYJINXXQNBMTR-CQSZACIVSA-N 348.472 1.867 0 40 EDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2ccccn2)CC1 3358339 QWIDOTZGJFZYQO-HUUCEWRRSA-N 326.400 1.112 0 40 EDAB CS(=O)(=O)N1CCN(Cn2c(=S)oc3ccccc32)CC1 28786867 XXZVHTXEHAEHCJ-UHFFFAOYSA-N 327.431 1.498 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Nc1ccc(Cl)cc1 69813201 YKQSICGOHSTOLU-LBPRGKRZSA-N 338.795 1.199 0 40 EDAB COCCNC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C 3493821 IWTQRBANQQRWHL-UHFFFAOYSA-N 349.456 1.907 0 40 EDAB Nn1c(SCC(=O)NCc2ccco2)nnc1-c1cccc(F)c1 3442925 AQSPECANNDWSAV-UHFFFAOYSA-N 347.375 1.800 0 40 EDAB COc1ccc([C@H]2CCCN2CCS(=O)(=O)CCC(N)=O)cc1 12913472 CIRUNPXKAGIRIS-OAHLLOKOSA-N 340.445 1.122 0 40 EDAB CC[C@]1(C)NC(=O)N(C[C@@H](O)COCc2ccc(Cl)cc2)C1=O 12917186 RKXFOJKTRHTPHQ-CJNGLKHVSA-N 340.807 1.938 0 40 EDAB COc1cc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)ccc1C 69389167 FXZMJBRBIIRZHA-MRXNPFEDSA-N 347.459 1.676 0 40 EDAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCCO1 48918877 LWOPQPQWFMZRKJ-GFCCVEGCSA-N 341.205 1.442 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)NCCN2CCN(C)CC2)c1 63342227 CUARDFIKMAEOFN-OAHLLOKOSA-N 333.432 1.020 0 40 EDAB CCn1cnnc1CNC(=O)c1nc(C)n(-c2ccccc2Cl)n1 64034708 TXLAVNYLCAVLKN-UHFFFAOYSA-N 345.794 1.771 0 40 EDAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nnc(C(F)(F)F)[nH]1)CS2 69457553 PJAQMRMFTYQBCQ-XUOSJQGZSA-N 335.311 1.216 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-n2ccnc2)nc1 69415080 MLLAHTQYZVVLAJ-CYBMUJFWSA-N 349.416 1.020 0 40 EDAB CCCNC(=O)NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 5087342 FQTPGUKMNWXBON-UHFFFAOYSA-N 330.392 1.699 0 40 EDAB CCc1ccc(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)cc1 39519563 NUECAQTTXVUZTF-UHFFFAOYSA-N 344.459 1.084 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCC2)cc1 13856353 POUVTRLZYGXBEV-GFCCVEGCSA-N 340.445 1.811 0 40 EDAB Cc1nccc(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)n1 69513439 MOWVAKNVMXFOLU-UHFFFAOYSA-N 332.385 1.478 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)NCC(F)(F)F)C(N)=O)cc1 65473835 OFPOOQRKJBFLKT-LLVKDONJSA-N 347.337 1.591 0 40 EDAB COCCN(C)CCCNC(=O)CNC(=O)CC1CCCCC1 65494800 KJVDRTCTXHKLSJ-UHFFFAOYSA-N 327.469 1.158 0 40 EDAB COC[C@@H](O)CN(C)C(=O)NCc1ccnc(N2CCCCC2)c1 65444312 HMQWIBNGLQWMOI-HNNXBMFYSA-N 336.436 1.221 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1cnc(-c2ccccc2)nc1 65407483 DYRWIRIWZLPJGK-UHFFFAOYSA-N 342.380 1.569 0 40 EDAB O=S(=O)(Nc1ccncc1)c1ccc(S(=O)(=O)C(F)F)cc1 65552083 LKLNREZXPQFHAX-UHFFFAOYSA-N 348.352 1.879 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H]1CCc2nnc(C)n2C1 65575210 GCGSZZIIRJPWAF-HNNXBMFYSA-N 344.463 1.730 0 40 EDAB CC(=O)Nc1nc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)cs1 69969471 ADZKXAJIZZEIAR-CQSZACIVSA-N 346.460 1.992 0 40 EDAB CN(C)[C@@H](CNC(=O)CSc1nnnn1C1CC1)c1ccccc1 14120016 SKPABAZNBWMRPE-AWEZNQCLSA-N 346.460 1.519 0 40 EDAB CN1CCO[C@@H](CNCc2cc(Cl)c3c(c2)OCCCO3)C1 65611153 DJIHPGYCOQDRQO-ZDUSSCGKSA-N 326.824 1.922 0 40 EDAB C[C@@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)NC1CC1 4546420 CUTNDVQRJLUMRE-NOZJJQNGSA-N 334.397 1.700 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc2c(c1)OCCO2 65987276 PCQBIVQUDNBJNZ-VXGBXAGGSA-N 335.404 1.560 0 40 EDAB CN1CCO[C@H](CNCC(=O)N(Cc2ccco2)CC(F)(F)F)C1 69702854 SMRFPNFEFYTWDN-CYBMUJFWSA-N 349.353 1.091 0 40 EDAB CCOC(=O)Cn1nc(NC(=O)COc2ccc(OC)cc2)cc1C 4785385 NCANPBUHUUFVMD-UHFFFAOYSA-N 347.371 1.781 0 40 EDAB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)N1CCCC1 5754721 ZAYUOFDKSGQPLH-NSHDSACASA-N 329.356 1.020 0 40 EDAB COc1ccc(CC[C@H](C)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 67069117 RQOPJKKJNAMUSB-DZGCQCFKSA-N 339.457 1.957 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1CC(=O)N(C)C 68546834 QQDBEHWWTJQKJU-STQMWFEESA-N 348.447 1.742 0 40 EDAB CC(C)n1nc2c(cc1=O)CN(c1ncnc3c1cnn3C)CC2 78931451 AUQURWKEQBCWBM-UHFFFAOYSA-N 325.376 1.064 0 40 EDAB CCc1nc(CN2CCN(C(=O)Cc3ccccc3F)CC2)n[nH]1 96012941 IFECHDSNRYBNKC-UHFFFAOYSA-N 331.395 1.393 0 40 EDAB O=C(Cn1cnnn1)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 96009012 YBBFNLZYSCEBPH-UHFFFAOYSA-N 337.265 1.516 0 40 EDAB C[C@@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ncc(CO)n1C 97035091 LTYKVMHNLLIIAE-VIFPVBQESA-N 327.406 1.733 0 40 EDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)N1Cc2ccccc2C1 71879680 JEWFKBXTUCUJKW-QZTJIDSGSA-N 345.443 1.449 0 40 EDAB CC(C)Oc1cccc(CC(=O)NC2CCN(CC(N)=O)CC2)c1 71832893 YWRZYNXVLYCGDY-UHFFFAOYSA-N 333.432 1.082 0 40 EDAB Cc1cnn(C[C@@H](C)NCC(=O)NCc2ccc3c(c2)OCO3)c1 71872159 KKCSOYIWVXLNKM-CYBMUJFWSA-N 330.388 1.215 0 40 EDAB O=C(NCCCn1ccnc1)N1CCCC[C@H]1CN1CCOCC1 71922288 RSSJUDODKVLUEP-INIZCTEOSA-N 335.452 1.170 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N[C@H](CO)[C@H](C)c2ccccc2)c1 97021197 JVEXOONDQJYSKX-UKRRQHHQSA-N 337.445 1.907 0 40 EDAB CCNC(=O)N[C@H]1CN(C(=O)c2ccc(O)c(Cl)c2)C[C@@H]1OC 72277970 WRXVSVOYSJFQHS-AAEUAGOBSA-N 341.795 1.204 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 84012135 AHSRCOQROHUTHT-SUMWQHHRSA-N 329.400 1.924 0 40 EDAB O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)NCc1ccc2c(c1)OCO2 72270595 FQDHXFGJDVYBLP-CQSZACIVSA-N 342.399 1.634 0 40 EDAB CC(C)(C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)c1ccccc1Cl 72290614 WSLVPRSLQUARDS-INIZCTEOSA-N 335.791 1.428 0 40 EDAB COc1ccc2c(CC(=O)N3CCc4nnc(N)cc4C3)coc2c1 72276785 ICJFIZMMBOFKQS-UHFFFAOYSA-N 338.367 1.941 0 40 EDAB CCc1onc(C)c1NC(=O)N1CCN(c2ccnc(C)n2)CC1 97135498 MVNOEVBYAJPYSJ-UHFFFAOYSA-N 330.392 1.998 0 40 EDAB CC1CCC(O)(CN2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 97147502 FONCPEKUHGJNFY-UHFFFAOYSA-N 344.521 1.122 0 40 EDAB CN(Cc1ccn(-c2ccccc2)n1)c1ncnc2c1cnn2CCO 97200254 LZVGIUZMYHVRKS-UHFFFAOYSA-N 349.398 1.641 0 40 EDAB NC(=O)OCCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 97371406 UYCXACNGSGOJCS-WDEREUQCSA-N 327.178 1.764 0 40 EDAB Cc1ccc(F)c(N2CCC[C@H](NC(=O)CCn3cncn3)C2=O)c1 95398149 DGOYEZXTNHWBMH-AWEZNQCLSA-N 345.378 1.428 0 40 EDAB NC(=O)[C@@H](NCC(=O)Nc1cccc2ncccc12)c1ccccc1 95396212 UTKHTQQPCVJFHE-SFHVURJKSA-N 334.379 1.990 0 40 EDAB COc1ccc(C(=O)N2CCCC[C@@H]2Cn2ccnn2)c(OC)c1 95456741 KTYRNSVIRTWVMO-CYBMUJFWSA-N 330.388 1.990 0 40 EDAB Nc1nccnc1C(=O)NC1(c2ccc(F)cc2F)CCOCC1 95446302 HXPKJGKEIHATEE-UHFFFAOYSA-N 334.326 1.773 0 40 EDAB Cn1c(=O)cc(C(=O)Nc2nc(C(F)(F)F)n[nH]2)c2ccccc21 95472311 ZAQISYLMTSWDDK-UHFFFAOYSA-N 337.261 1.928 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCN(CC3CC3)c3ccccc32)n1 73304441 AATMWRIYJVBCOZ-UHFFFAOYSA-N 338.411 1.815 0 40 EDAB CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccn(C)c(=O)c1 95954480 VVQJBQVHTDDBEG-UHFFFAOYSA-N 331.391 1.728 0 40 EDAB CN1C[C@@H](C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1=O 95950699 JKUCKMFLSBGCFJ-AWEZNQCLSA-N 325.368 1.313 0 40 EDAB COCCN1CCC(CNC(=O)Cc2ccc(OC)c(F)c2)CC1 89414285 QDOYMIDUCSZSEF-UHFFFAOYSA-N 338.423 1.851 0 40 EDAB C[C@@H](NC(=O)NC1(CO)CCCC1)c1cccc(-n2cncn2)c1 89905383 CGCYLUMOCMEKDK-CYBMUJFWSA-N 329.404 1.933 0 40 EDAB COCCN1CCC(CNC(=O)[C@H](NC(C)=O)C2CCCC2)CC1 89954593 JQEPDDPKIPPJSD-QGZVFWFLSA-N 339.480 1.156 0 40 EDAB CSc1nc(N2CCCC2)c2cc(C(=O)NCCO)sc2n1 408617641 CWURFDURUVEJGV-UHFFFAOYSA-N 338.458 1.736 0 40 EDAB COCc1cc(N[C@H]2CCCN(c3nc(C)cc(O)n3)C2)ncn1 1548521271 XZEAXOJAIMWKHP-LBPRGKRZSA-N 330.392 1.508 0 40 EDAB CC(C)Nc1nnccc1C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C 1548648003 ZVDLGFHFFFFBCM-STQMWFEESA-N 333.436 1.816 0 40 EDAB CCC(=O)C1(C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CC1 556130076 MCOGZNMTPUBDRD-AWEZNQCLSA-N 349.475 1.337 0 40 EDAB C[C@@H]1CN(C(=O)N2CCOCC2)C[C@]12CCN(c1ccsc1)C2=O 306127940 GLHQDGCUXBDCEJ-CXAGYDPISA-N 349.456 1.875 0 40 EDAB CCOC(=O)C1=C(C)N(N)C(=O)N[C@H]1c1ccc(O)c(OCC)c1 408729081 ALGACKHVSRNPGO-AWEZNQCLSA-N 335.360 1.568 0 40 EDAB CCOC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC 218085293 JRWUAKGYPKIFDE-OWCLPIDISA-N 327.446 1.577 0 40 EDAB C[C@H](CNC(=O)CCN1C(=O)CCC1=O)N1CCc2sccc2C1 31962791 TYNCNZKKSSOCSH-GFCCVEGCSA-N 349.456 1.150 0 40 EDAB O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCS[C@H](c2cccs2)CC1 219509156 CIWVPWNLPRPPMU-NSHDSACASA-N 337.426 1.445 0 40 EDAB CCn1c(-c2nc(C(=O)NCC(N)=O)cs2)cc2ccccc21 38910879 ATZCXOQFKZLIKB-UHFFFAOYSA-N 328.397 2.000 0 40 EDAB Cc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)n1 72237955 QAQCWECUORNTFL-IRXDYDNUSA-N 325.368 1.927 0 40 EDAB COc1ccccc1OCCNC(=O)C1(n2cnnn2)CCCCC1 72405889 ZCEVNEOBAGMMHI-UHFFFAOYSA-N 345.403 1.536 0 40 EDAB COc1ccc(S(=O)(=O)NC(C)(C)C)cc1N1CCCC1=O 30754482 UXGSVGNPBRBQSR-UHFFFAOYSA-N 326.418 1.899 0 40 EDAB CC(C)C(=O)N1CC[C@@H](c2nn(CCN(C)C)c3nccnc23)C1 72391683 RJXXEWWUTPXZDS-CYBMUJFWSA-N 330.436 1.360 0 40 EDAB O=C(O)C[C@H]1CCCN(C(=O)NCCc2cn3ccccc3n2)C1 562741645 JGANCBBJVZOCDY-CYBMUJFWSA-N 330.388 1.773 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)s1 224076208 CPBVWJRXOQYWNM-HLTSFMKQSA-N 330.435 1.354 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 195533317 HORRYLYPQNPMQM-IHRRRGAJSA-N 335.452 1.297 0 40 EDAB Cc1ccccc1C[C@H](CNS(=O)(=O)[C@H]1CCO[C@@H]1C)C(=O)O 574914628 AIHDJAQYCFFTFX-YUELXQCFSA-N 341.429 1.335 0 40 EDAB CCc1cnccc1C(=O)NCCNc1ncnc2c1cnn2C 195550784 YWMFTHXPQCTEOW-UHFFFAOYSA-N 325.376 1.163 0 40 EDAB COC(=O)[C@H]1CN(C(=O)c2c(C)nn(C)c2C)c2ccccc2O1 225884267 ALYOEGPKVMDKSZ-CQSZACIVSA-N 329.356 1.618 0 40 EDAB COc1cc(N2C[C@H]3C(=O)N(Cc4ccncc4)CC[C@H]3C2)ncn1 96249098 XTMKVEGTKWPAMV-LSDHHAIUSA-N 339.399 1.365 0 40 EDAB CCS(=O)(=O)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 96224451 JBOHRGLHWCBFLN-MRXNPFEDSA-N 337.445 1.246 0 40 EDAB CC(C)(C)[C@H](C(=O)O)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 1588636135 XAHXNWANZOBSFY-AWEZNQCLSA-N 347.415 1.549 0 40 EDAB CN1CCN(c2ncnc3c2CCN(Cc2cccnc2)CC3)CC1 96255680 KHESGULGHGBOFZ-UHFFFAOYSA-N 338.459 1.224 0 40 EDAB CN(C)C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CCO1 97380118 YFGQNXOQWKVZIL-SNVBAGLBSA-N 336.816 1.430 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2cnn(C)c2)N(C)C)cc1F 96410781 LRQWPEIOMBYORD-OAHLLOKOSA-N 347.394 1.225 0 40 EDAB COc1ccc2c(c1)C[C@@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)CC2 90797291 XFXUBGXYHGIOME-BBRMVZONSA-N 338.473 1.424 0 40 EDAB COCCN(C)CCNC(=O)N[C@@H]1CCCN(c2ccccc2)C1 96406861 BYLJTECAHXZCCV-MRXNPFEDSA-N 334.464 1.533 0 40 EDAB CCOC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)c1cn(C)cn1)C2 96039376 FXVUTBOAPNSTTB-ZFWWWQNUSA-N 343.449 1.016 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(c2nc(O)n[nH]2)CC1 583164282 AMQRWOAVDCUOBV-UHFFFAOYSA-N 344.297 1.132 0 40 EDAB CS(=O)(=O)CCCC(=O)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 96450199 MGNZFMAEZBSULF-RRFJBIMHSA-N 328.478 1.144 0 40 EDAB CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1nnc(C(C)(C)C)s1 332775752 KOKRAJUTKFXDMH-UWVGGRQHSA-N 339.465 1.550 0 40 EDAB COc1ccccc1CNC(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O 583614677 CILNBCIKXOEOOZ-GVDBMIGSSA-N 348.443 1.173 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccncc1 96041796 JGYJSSYJRPSCIM-GVDBMIGSSA-N 340.383 1.460 0 40 EDAB CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(C(=O)c3cc(C)oc3C)CC[C@@H]21 247949621 BTRONLSQQWBPJW-RYRKJORJSA-N 347.459 1.910 0 40 EDAB O=C(c1ccccn1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1 247798092 DOLBQAVDEJHEQZ-HNNXBMFYSA-N 326.400 1.977 0 40 EDAB Cn1cc(CN2CC[C@H]3CO[C@H](CNC(=O)c4ccco4)[C@H]3C2)cn1 248125681 LOAYWYWCYOYIPC-YQQAZPJKSA-N 344.415 1.280 0 40 EDAB CNc1cc([C@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)ccn1 257205695 BAFNXUNBFVRNRM-CYBMUJFWSA-N 335.433 1.691 0 40 EDAB Cc1c[nH]c(-c2cncc([C@@H]3CCCN3S(=O)(=O)N(C)C)n2)n1 257215788 CRQYMMDTZKJTSA-ZDUSSCGKSA-N 336.421 1.118 0 40 EDAB C[C@]12CCCN(C(=O)CN3CCCCCC3=O)[C@H]1CCCC(=O)N2 257297342 RGVOACCLGXGQLF-KSSFIOAISA-N 335.448 1.439 0 40 EDAB CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)nc(C)n1 257212040 CBRHPOXGQRCLKA-AWEZNQCLSA-N 333.417 1.748 0 40 EDAB Cc1nc(C[C@@H]2CCCN(c3ccnc(C)n3)C2)cc(C(N)=O)n1 257333397 YBJDZBGWWRHEHQ-ZDUSSCGKSA-N 326.404 1.441 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)n1 257336151 YNKILIAHTIJLOD-INIZCTEOSA-N 343.431 1.561 0 40 EDAB O=C(CCOc1ccccc1F)N1CCO[C@@H](c2cnccn2)C1 257341936 ZMMIXDBNEBJOIP-MRXNPFEDSA-N 331.347 1.985 0 40 EDAB Cc1ncsc1C(=O)NC[C@@]1(O)CCCN(c2cnccn2)C1 257304775 SNCKKQCNFKZBDF-HNNXBMFYSA-N 333.417 1.003 0 40 EDAB O=S(=O)(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1ccc(F)c(F)c1 253473877 ZKWOBYNVFLWUQM-BIGNPOOSSA-N 333.356 1.580 0 40 EDAB COc1ccccc1[C@H]1CN(Cc2cnccn2)CCN1C(C)=O 257208003 BKGMMQQTSYIFNQ-QGZVFWFLSA-N 326.400 1.891 0 40 EDAB Cn1nc(C(=O)N[C@H]2CC[C@H](Oc3ccccn3)CC2)ccc1=O 252523062 BTLQUTRBJUQWQK-JOCQHMNTSA-N 328.372 1.295 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2cncnc2C)n1 257289075 PWWXKOOMMWBQPQ-ZDUSSCGKSA-N 328.376 1.139 0 40 EDAB O=C(NC[C@H](c1ccsc1)n1cccn1)C(=O)Nc1ccon1 618255572 FRMPFGZSJRJXHB-LLVKDONJSA-N 331.357 1.277 0 40 EDAB Cc1csc([C@@H]2CN(C(=O)c3ccnc4c3nnn4C)CCO2)n1 282364067 ASRBIILNSGRITM-NSHDSACASA-N 344.400 1.342 0 40 EDAB COC[C@@]1(C(=O)O)CCN(C(=O)N[C@H](C)Cc2cccc(O)c2)C1 635508554 VLXDAFBWAITZBE-SJKOYZFVSA-N 336.388 1.456 0 40 EDAB CCCOc1cc(C)ccc1NC(=O)N1CC[C@@]2(C1)NC(=O)NC2=O 1615572521 WTOUZHPLZWNWPJ-KRWDZBQOSA-N 346.387 1.600 0 40 EDAB N[C@@H]1CC12CCC(NC(=O)c1ncc(Br)cn1)CC2 1615587825 LMTFHLVWZFNHRR-RUETXSTFSA-N 325.210 1.629 0 40 EDAB Cc1cc(NCCc2nncs2)n2nc(C(F)(F)F)nc2n1 1615585437 FYTYVZJSIPITRQ-UHFFFAOYSA-N 329.311 1.958 0 40 EDAB O=C(O)CN1CCCC[C@H](Nc2ccc(C(F)(F)F)nn2)C1=O 1615571223 GZQVEYFMWYKHKW-QMMMGPOBSA-N 332.282 1.373 0 40 EDAB COc1cc(F)c(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)c(F)c1 1615613381 VIQUPTHUDVRKLG-QMMMGPOBSA-N 333.356 1.669 0 40 EDAB Cc1cc(C(=O)N(CC(=O)O)C2CCOCC2)nc(C(F)(F)F)n1 569004080 YUESYWXSMJGNBA-UHFFFAOYSA-N 347.293 1.510 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N1Cc2cncnc2C1 96025515 BVGFUORBPXZYEG-UHFFFAOYSA-N 325.371 1.029 0 40 EDAB CCOCC(=O)N1CC2(C1)OCC[C@@H]2CCOCc1cccc(C)n1 575402388 CCBKPDOADWUMMM-INIZCTEOSA-N 348.443 1.951 0 40 EDAB Cn1c(=O)sc2cc(S(=O)(=O)NC(=O)c3ccncc3)ccc21 585273096 QUVXLWZWMTVXFW-UHFFFAOYSA-N 349.393 1.114 0 40 EDAB Cc1noc(CCC(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)n1 585279069 SGWXTHPMJOIGFT-SFHVURJKSA-N 345.399 1.143 0 40 EDAB CN(C)[C@H]1CN(Cc2cccc(OCCN3CCCCC3)c2)C[C@@H]1O 585271346 FKOCHBRDTRSXQU-PMACEKPBSA-N 347.503 1.658 0 40 EDAB O=C(C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21)N1CC(F)(F)C1 585095899 TXYOEUTYASJSEX-ZDUSSCGKSA-N 338.358 1.434 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NC2CCN(c3ncccn3)CC2)C1 56058942 UWJYVYSMYZWBQZ-CYBMUJFWSA-N 339.465 1.012 0 40 EDAB CCS(=O)(=O)NCCNC(=O)C1(c2cccc(Cl)c2)CCC1 58306908 FZKZBQRYCVWOLK-UHFFFAOYSA-N 344.864 1.817 0 40 EDAB CN(Cc1nnc2ccccn12)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 58327519 VRGLSMHDLMOBBO-CQSZACIVSA-N 349.394 1.741 0 40 EDAB CCNC(=O)NC(=O)CSc1nnc(NCC(F)(F)F)s1 57773069 HQJGSIRZGQHYQY-UHFFFAOYSA-N 343.356 1.450 0 40 EDAB CCCc1nnc(NC(=O)c2cc(S(N)(=O)=O)c(C)s2)s1 95350955 AYJJHRUUJSQPRY-UHFFFAOYSA-N 346.459 1.760 0 40 EDAB CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)[C@@]1(C)CC1(Cl)Cl 95943967 AAIXZVUTGAXBNS-NEPJUHHUSA-N 326.220 1.779 0 40 EDAB O=C(c1cocn1)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615125957 NDOMJGUUOQXFLL-SFHVURJKSA-N 341.367 1.713 0 40 EDAB O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CC(N2CCOCC2)C1 1616033704 CGMLZYDXRJTVKG-BJMVGYQFSA-N 342.848 1.657 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@H](Oc2ncccc2Br)C1 238955985 XYLJFAQPIBDXHC-VIFPVBQESA-N 347.234 1.789 0 40 EDAB COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3nc[nH]c32)c(OC)c1OC 5634313 NVAMUYXVNLMYHW-JQWIXIFHSA-N 333.344 1.124 0 40 EDAB CCn1c(=O)n(CC(=O)NCc2ccc(F)cc2)c2cccnc21 12117559 GQJZIPFPIBIXMG-UHFFFAOYSA-N 328.347 1.673 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NCC1CC1 12146260 ZPAYZPYLOHXJLO-HNNXBMFYSA-N 327.384 1.164 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)nn12 12697709 ASTQQJXQOZDFNY-CYZMBNFOSA-N 345.403 1.530 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1 151128025 XNZLJHNBJQCZKF-OAHLLOKOSA-N 334.397 1.932 0 40 EDAB CCOC[C@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)O)C1 574635453 NDEUPPXSPBANPR-JTQLQIEISA-N 333.431 1.884 0 40 EDAB Cc1ccnc(N2C[C@@H]3CN(C(=O)c4csc(C)n4)C[C@H]3C2)n1 1888843424 ZQKWEKJYJKRCMW-STQMWFEESA-N 329.429 1.758 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2)c1 1888853840 FPAIGZNIXIJFRN-OAHLLOKOSA-N 338.473 1.835 0 40 EDAB Oc1cc(C(F)F)nc(N2CCN(c3ncc(F)cn3)CC2)n1 1888856996 KUYQIEIBTVFWJE-UHFFFAOYSA-N 326.282 1.376 0 40 EDAB CN1CCCC[C@]2(CN(C(=O)Cc3ccccc3F)CCO2)C1=O 2037985846 YILUBMUHBMIIQI-SFHVURJKSA-N 334.391 1.608 0 40 EDAB COCCCN1CCC[C@]2(CCCN(C(=O)C3=CC=NC(=O)C3)C2)C1 2056223389 IZJIWKKULNAIGN-IBGZPJMESA-N 347.459 1.655 0 40 EDAB Cn1cncc1CN1CC[C@H]2[C@H](CC(=O)N3CCCCC3)OC[C@H]2C1 1565553263 QTPHEVBERQHAST-NXHRZFHOSA-N 346.475 1.660 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2c(C)noc2C)CC1 2055771696 RDRXRPAZSYTCNT-UHFFFAOYSA-N 346.435 1.218 0 40 EDAB Cc1cccc(OCC(=O)NCC2CCN(S(C)(=O)=O)CC2)c1 43979755 UELFQBGKAXAPJY-UHFFFAOYSA-N 340.445 1.162 0 40 EDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CC(Nc2cccnn2)C1 585148755 DIGFAWFDVXHIJY-UHFFFAOYSA-N 342.783 1.754 0 40 EDAB C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)Nc1ccc2ccccc2c1 2391104 MNETYPHAKOATDA-GUYCJALGSA-N 342.443 1.739 0 40 EDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCCCn1cccn1 30171708 XDFKLPCRGWJFOQ-GOSISDBHSA-N 342.443 1.773 0 40 EDAB CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 40467422 BYXCOFGZIDTSNE-ZDUSSCGKSA-N 327.377 1.434 0 40 EDAB CC(C)[C@H](CNC(=O)c1ccc(NS(C)(=O)=O)cc1)N(C)C 31272837 HHJQPSUGFOTGQB-AWEZNQCLSA-N 327.450 1.374 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)cnc21 40464868 JMTPLUDVZQYNDB-JSGCOSHPSA-N 329.404 1.311 0 40 EDAB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C[C@@]23C=C[C@H]1O3 100833640 BGQRXMCVRTWFOQ-FSZRXZPDSA-N 329.352 1.545 0 40 EDAB Cc1nn(CC(=O)NC[C@H](C)N2CCCC2)c(=O)c2ccccc12 40522571 BLRNSWJDISMYBV-ZDUSSCGKSA-N 328.416 1.305 0 40 EDAB Cc1ccc([C@H](C)NC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)o1 40540902 FVGGQTWGJVJULD-LBPRGKRZSA-N 343.387 1.802 0 40 EDAB Cn1cc(C(=O)NC2CCN(C(=O)CCc3cccs3)CC2)cn1 40541599 PNCQHDDETWOCQE-UHFFFAOYSA-N 346.456 1.835 0 40 EDAB COc1cccc(NC(=O)CN(C)C(=O)CN2C[C@H](C)O[C@H](C)C2)c1 20963064 NWJARQSOZSFUQK-OKILXGFUSA-N 349.431 1.201 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859078 RSUAGPSEDHULFZ-CWSCBRNRSA-N 348.277 1.176 0 40 EDAB NC(=O)C1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 32758234 ZUHQJOSNHUIARU-WMZOPIPTSA-N 332.444 1.639 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1F 102263169 HDUSHDGZBKGXLL-ZIAGYGMSSA-N 332.375 1.926 0 40 EDAB Cc1ccc(NC(=O)NC[C@H](C)Cn2cccn2)cc1-n1cnnn1 52462216 WAFVCUJNYQIBPY-LBPRGKRZSA-N 340.391 1.625 0 40 EDAB Cn1ccnc1[C@H](NC(=O)c1ccc(=O)[nH]c1)c1cccc(F)c1 32842280 IACBCRVLNBLKIP-OAHLLOKOSA-N 326.331 1.767 0 40 EDAB CC(C)n1nccc1NC(=O)NCCCN1CCC(C(N)=O)CC1 71831256 JPPBFJNXNXFPTK-UHFFFAOYSA-N 336.440 1.173 0 40 EDAB COc1ccc(OC)c(-n2nnnc2SCC(=O)N2CCCC2)c1 415290 MLBGAMNFZPEDIM-UHFFFAOYSA-N 349.416 1.394 0 40 EDAB CCNC(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 102633139 YHNQSVSQZMOXQA-AZHAFVHUSA-N 328.368 1.898 0 40 EDAB COc1ccc(CCNC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1OC 4851877 MKPBSJITNRALDA-CLWVCHIJSA-N 347.367 1.017 0 40 EDAB Cc1nc2ccccc2nc1SCC(=O)NN1CCN(C)CC1 6527596 BIXQMTJBBNRKSS-UHFFFAOYSA-N 331.445 1.309 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)cc12 32935022 RGHHRFLDKYBBPY-INIZCTEOSA-N 345.447 1.363 0 40 EDAB CCN(c1ccc(OCC(=O)NCCCOC)cc1)S(C)(=O)=O 10009961 MUBYZWBHQCHYLH-UHFFFAOYSA-N 344.433 1.004 0 40 EDAB CC(C)c1ccc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 102837612 OQRNXFOZDUCVTH-KBUPBQIOSA-N 328.368 1.617 0 40 EDAB CN(C)c1nc(Nc2ccccc2)nc(Oc2ccc(O)nn2)n1 8572693 RJYNNGGQCUKEBL-UHFFFAOYSA-N 325.332 1.969 0 40 EDAB Cc1cccc2nc(C(=O)N3CCC[C@@H](N4CCNC4=O)C3)cn12 71841755 PPLURJZADQFZMX-CYBMUJFWSA-N 327.388 1.273 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)c1cc(-c2cccnc2)on1 53187845 FNKUBIOWMNEFTN-UHFFFAOYSA-N 347.338 1.642 0 40 EDAB CN(C)c1nc2sc(C(=O)N[C@@H]3CCCCNC3=O)cc2s1 53478011 WRRJHHUDQTUTQG-MRVPVSSYSA-N 338.458 1.822 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)n1 71830313 IRTQMKOQOOPDEO-CQSZACIVSA-N 344.419 1.208 0 40 EDAB O=C(NCc1cccnc1-n1ccnc1)c1ccnc(-n2cncn2)c1 53798814 OAERDJVKZRWEPA-UHFFFAOYSA-N 346.354 1.173 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O 22843983 ZBHXQCVHAWACFC-HNNXBMFYSA-N 348.399 1.735 0 40 EDAB COc1cccc2cc(C(=O)N3CCC(C(N)=O)CC3)c(=O)oc12 807578 KLZGNWCKWRFNEB-UHFFFAOYSA-N 330.340 1.139 0 40 EDAB Cc1ccccc1CN1CCN([C@@H](C)C(=O)NC(=O)NC2CC2)CC1 22919103 SCHGBAZTMFHLKF-HNNXBMFYSA-N 344.459 1.489 0 40 EDAB CC(C)N(CC(N)=O)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 54172818 XLCQEHVSDSXYOH-UHFFFAOYSA-N 342.325 1.377 0 40 EDAB C[C@@H]1CCCN(C(=O)C2CCN(Cn3nnnc3C(C)(C)C)CC2)C1 54471801 GPQMVTCGWLAMMS-CQSZACIVSA-N 348.495 1.899 0 40 EDAB O=C(CN1CCC[C@H]1CN1CCOCC1)N(C1CCCC1)C1CC1 75889693 GDOSBXXVFLDOCM-SFHVURJKSA-N 335.492 1.717 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)COCCc3ccccc3)CCO2)n1 76045301 AEGMQVIZOVAAEM-HNNXBMFYSA-N 330.388 1.272 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)CCn1c(=O)n(C)c2ccccc21 24804416 AQXFTPJMBGMCFW-ZDUSSCGKSA-N 327.388 1.132 0 40 EDAB CC[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1OCC(=O)NC 55573309 AXUNEICWLGJFAR-CQSZACIVSA-N 343.383 1.381 0 40 EDAB CCN1C[C@@H](C(=O)N2CCN(Cc3ccccc3OC)CC2)CC1=O 76227349 MBHFCRDUUTVIBN-INIZCTEOSA-N 345.443 1.208 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cccn3)nc2)cc1 12539903 CYSRLOYTNNZKPJ-UHFFFAOYSA-N 342.380 1.923 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)Nc1nc(C)cs1 69927145 LEHKXZWIAVYGFJ-KGLIPLIRSA-N 336.461 1.865 0 40 EDAB Cc1cccc(C(N)=O)c1NS(=O)(=O)c1ncn(C)c1Cl 26539044 BNSBQTQVZMWCDK-UHFFFAOYSA-N 328.781 1.282 0 40 EDAB Cc1cc(=O)n(CC(=O)N2CCOCC2)c(-c2ccc(F)cc2)n1 57522332 MSKRBRBWQZACNL-UHFFFAOYSA-N 331.347 1.217 0 40 EDAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccncc2)n(C)c1 12639343 CKMVYPKJNZUALH-UHFFFAOYSA-N 336.417 1.703 0 40 EDAB COc1ccc2oc(C(=O)NC[C@H]3CCS(=O)(=O)C3)c(C)c2c1 44907969 ONRLKGQRURJCBH-LLVKDONJSA-N 337.397 1.914 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@H]1CCCN(C(=O)C2CC2)C1 58323634 AJFBKONHSVRESZ-ZDUSSCGKSA-N 340.387 1.249 0 40 EDAB COC(=O)CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 58341070 ZAYXHEWULKHTEW-UHFFFAOYSA-N 333.432 1.510 0 40 EDAB NC(=O)c1ccc(C(=O)Nc2ccccc2CN2CCOCC2)cc1 58356274 BZDNWNLQJUCJOH-UHFFFAOYSA-N 339.395 1.870 0 40 EDAB COC(=O)c1ccc(OC(C)C)c(NC(=O)NCC(=O)N(C)C)c1 58442949 PLKLBZABGBUDIV-UHFFFAOYSA-N 337.376 1.470 0 40 EDAB COC(=O)[C@@H](NC(=O)c1cn2cccnc2n1)c1cc(F)ccc1F 58406427 ZFMKCPZJCGRHBI-ZDUSSCGKSA-N 346.293 1.652 0 40 EDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cc(C)on2)c1 58407085 XZKFFSSRKLTAAH-UHFFFAOYSA-N 344.776 1.902 0 40 EDAB CNC(=O)CN(C)C(=O)Cc1ccc(OCc2c(C)noc2C)cc1 8728167 WXQTUQSYKBPEPX-UHFFFAOYSA-N 345.399 1.617 0 40 EDAB CS(=O)(=O)NCCCNC(=O)N[C@H]1CCCc2ccccc21 45139108 BUMQDXJNDVJGCN-AWEZNQCLSA-N 325.434 1.303 0 40 EDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NCc1cccs1 36654554 OEJDBTUNGDGZOB-AWEZNQCLSA-N 343.408 1.527 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(C(=O)CCc2nc(C3CC3)no2)C1 71916129 QSSWXGZJRPOIOH-CYBMUJFWSA-N 334.420 1.644 0 40 EDAB COc1ccc2c(CC(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)coc2c1 6156566 KITCUXBJQMNCAN-OAHLLOKOSA-N 348.355 1.747 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cnc(-c2ccccc2)nc1 65475540 QNZPNKBMWHYJFC-IAGOWNOFSA-N 338.411 1.737 0 40 EDAB CN(Cc1ccccc1)C[C@@H](O)Cn1cnc2ccsc2c1=O 65515337 BERJQNXQWRZDHR-CQSZACIVSA-N 329.425 1.951 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCNc3ccncc3)CC2=O)cc1 65574993 RQXBFRBAUDPSLF-OAHLLOKOSA-N 338.411 1.971 0 40 EDAB O=C(NCCc1nccn1C(F)F)C(=O)Nc1cccc(F)c1F 65613871 KIIKHRCYXMWLPA-UHFFFAOYSA-N 344.268 1.854 0 40 EDAB COC(=O)c1sc(NC(=O)C[C@H]2CCCCN2C(C)=O)nc1C 65620894 WUYANZRQGSHKFE-LLVKDONJSA-N 339.417 1.968 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 14285851 WUMQXQFFRKHMMQ-HZPDHXFCSA-N 326.396 1.905 0 40 EDAB CC(C)(C)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 66423487 YHCFEELXYVTQKW-UHFFFAOYSA-N 335.423 1.746 0 40 EDAB COc1cc(C(=O)O[C@@H]2CCOC2=O)cc(OC)c1Br 7269346 JGDWVXUGPBPVLS-MRVPVSSYSA-N 345.145 1.939 0 40 EDAB CN(C)C1(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)CCCCC1 7989090 NWIMQZWTWTXKNP-UHFFFAOYSA-N 342.443 1.846 0 40 EDAB C[C@@H](CNC(=O)C1(C(N)=O)CC1)Oc1cccc(Br)c1 81303496 YAPPFAWLQGBMJV-VIFPVBQESA-N 341.205 1.598 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Nc1cc(OC)c(OC)c(OC)c1 25424994 IDKBBDLFUAGZGZ-VIFPVBQESA-N 325.365 1.359 0 40 EDAB CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)/C=C/c1ccccc1 69388947 BXJIMPNLBIOQMP-ATWMFIQVSA-N 340.470 1.840 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[C@H]1CCOC1 69332920 ZZMPITDTXVKECX-ZDUSSCGKSA-N 338.429 1.253 0 40 EDAB O=C(N[C@H](CO)c1ccccc1)C(=O)c1ccc2c(c1)OCCO2 69580761 UGYCVACKPSQYMB-CQSZACIVSA-N 327.336 1.490 0 40 EDAB Cc1cccc(C)c1-n1nnnc1CN1CCC[C@H]1Cn1cncn1 69599003 MVEMXMATXWZCFZ-HNNXBMFYSA-N 338.419 1.535 0 40 EDAB O=C(O)[C@H]1CCC(=O)N(CCNc2ncccn2)[C@@H]1c1cscn1 69585676 NOLQAVIUKLDVMF-GWCFXTLKSA-N 347.400 1.410 0 40 EDAB CC(C)C(=O)NCCNC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1 69582431 NEFLXWQTVWLATP-HNNXBMFYSA-N 346.431 1.571 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)n1 69655127 PGVKBQWUBBOXTI-KGLIPLIRSA-N 342.399 1.839 0 40 EDAB C[C@@H](NC(=O)NC(C)(C)c1ccc2c(c1)OCCO2)c1nncn1C 69775971 KONKNRFAZYEIHL-LLVKDONJSA-N 345.403 1.882 0 40 EDAB O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CC[C@]2(CCOC2)C1 96462295 DMCLXGLMHKHVHR-SFHVURJKSA-N 343.358 1.624 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 97048148 OAGYVIQAVNXIGV-CQSZACIVSA-N 341.481 1.499 0 40 EDAB Nc1cc2c(nn1)CCN(C(=O)C[C@H]1OCCc3sccc31)C2 72279509 YWXNACIGRXBXIE-CYBMUJFWSA-N 330.413 1.709 0 40 EDAB C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)NCCc1c[nH]c2ccccc12 72267889 AWIMPCXXFAVQPL-GDBMZVCRSA-N 344.459 1.135 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@H](c3nccs3)C2)ccc1=O 72273476 NWHMHMJYNWUKKW-LBPRGKRZSA-N 348.428 1.366 0 40 EDAB COC(=O)c1nn(C)c(C)c1NS(=O)(=O)c1cc(C)ccc1C 72250841 DACIIIMDCQZYIW-UHFFFAOYSA-N 337.401 1.933 0 40 EDAB Cc1nnc(Cn2nnnc2Cc2ccc(Br)cc2)o1 84291592 QGNCUTDWCXRSNW-UHFFFAOYSA-N 335.165 1.766 0 40 EDAB Cn1c(=O)c(Cn2nc(-c3ccco3)oc2=O)nc2cc(F)ccc21 97201468 WGZPSUDQLVYRSH-UHFFFAOYSA-N 342.286 1.531 0 40 EDAB Cn1cc(CCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 79486617 WWCLPOWFIGBVBG-CQSZACIVSA-N 334.441 1.804 0 40 EDAB COc1ccccc1C1(CNC(=O)NCc2nnc3n2CCC3)CC1 95393500 LEDDNUYSEKNTGK-UHFFFAOYSA-N 341.415 1.764 0 40 EDAB CCOC(=O)N1CCC(N(C)CC(=O)Nc2ccc(C)cn2)CC1 95457080 RAXDQCLFPNNFDM-UHFFFAOYSA-N 334.420 1.881 0 40 EDAB CC(C)COc1cncc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1 95415164 GVISLUJGMLMPJJ-QGZVFWFLSA-N 331.420 1.997 0 40 EDAB NS(=O)(=O)c1ccc(CCNc2nc3ccccc3c(=O)[nH]2)cc1 97994924 UEMXPVDKJSSBKU-UHFFFAOYSA-N 344.396 1.225 0 40 EDAB CCc1nnc(COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1C 89296126 SRKBENCWCHKDHN-JTQLQIEISA-N 342.355 1.105 0 40 EDAB Nc1noc(CCNC(=O)c2ccc(F)c(Br)c2)n1 75093103 GYXJRVSXQPPJJC-UHFFFAOYSA-N 329.129 1.526 0 40 EDAB N[C@H](Cc1ccccc1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75126075 HHPFCGJNINGXSO-LLVKDONJSA-N 325.290 1.902 0 40 EDAB Cc1cnn(CCN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 89702499 IRXGJRSMPYPWKG-AWEZNQCLSA-N 336.461 1.793 0 40 EDAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNc1ncccn1 89884843 VRBRWQKUKXTWEW-UHFFFAOYSA-N 343.431 1.642 0 40 EDAB CC[C@H]1CN(C(=O)Cn2cnc3c(C)cccc3c2=O)C[C@@H]1N(C)C 89948474 GKCYIMOQXJAKON-HOCLYGCPSA-N 342.443 1.504 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NCCc2ccc3c(c2)OCCO3)C1 89954649 MIQQGMTXVGHSLY-HNNXBMFYSA-N 347.415 1.310 0 40 EDAB COc1cccc(-c2ccc(=O)n(CC(=O)Nc3cnn(C)c3)n2)c1 61720579 MKZLLWBHIBNQNB-UHFFFAOYSA-N 339.355 1.291 0 40 EDAB CCCS(=O)(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306127361 FWRUYXBRZHGVEG-CQSZACIVSA-N 340.445 1.681 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)N2CCCCC2)cc1F 32444791 KJUXLBGOPMTEIQ-UHFFFAOYSA-N 330.381 1.125 0 40 EDAB O=C(CCCn1cnnn1)N1CCC(O)(c2ccc(Cl)cc2)CC1 524733668 CJBFNISFAMUFEE-UHFFFAOYSA-N 349.822 1.617 0 40 EDAB COc1ccc([C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1OC 36040091 UGANDYWOMZTRQE-QWHCGFSZSA-N 341.360 1.715 0 40 EDAB Cc1nn(CCNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c(C)c1Cl 35670953 TUBBNEMNBDXTIE-VXGBXAGGSA-N 325.796 1.937 0 40 EDAB COc1ccc(N2CN(CCO)Cn3c2nc(C)c(C)c3=O)cc1 35581162 OREFGGGZWJLYOF-UHFFFAOYSA-N 330.388 1.230 0 40 EDAB CC(C)c1ocnc1C(=O)NCC(C)(C)N1CCS(=O)CC1 79310561 OOKMSJSXFMOFTB-UHFFFAOYSA-N 327.450 1.371 0 40 EDAB Cc1ccc(CNS(=O)(=O)CC2=NC(=O)n3cccc3C2=O)cc1 32611910 MSWFHEDHIBGQFG-UHFFFAOYSA-N 345.380 1.522 0 40 EDAB O=C(c1cc(I)ccc1O)N1CCC[C@@H]1CO 189796487 KQLIKXDEDTWZPJ-SECBINFHSA-N 347.152 1.594 0 40 EDAB C[C@@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)NCc1cccnc1 61984065 MFDDXTFKNZXIRT-ZDUSSCGKSA-N 338.367 1.851 0 40 EDAB COc1cccc(CC(=O)N2CCN(C[C@H](O)c3ccco3)CC2)c1 85436781 DJIDMKDUYLUGDZ-KRWDZBQOSA-N 344.411 1.709 0 40 EDAB C[C@@](O)(CO)CNC[C@@H](O)Cn1c2ccccc2c2ccccc21 564979080 QLJHUOUJTUPZFQ-KUHUBIRLSA-N 328.412 1.488 0 40 EDAB CS(=O)(=O)c1cccc(N[C@H]2CCN(CC(F)(F)F)C2=O)c1 81084185 XVRQGEAUOLXAOF-NSHDSACASA-N 336.335 1.665 0 40 EDAB O=S1(=O)CC[C@@H](N(C2CC2)S(=O)(=O)c2ccccc2F)C1 45810837 HISIGXNSSMFEMA-LLVKDONJSA-N 333.406 1.166 0 40 EDAB CCn1cc(CC(=O)NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1 195571985 CDSIIXVIIPCGAJ-UHFFFAOYSA-N 345.783 1.743 0 40 EDAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)N1CCC(C(N)=O)CC1 226852666 DWZSOFKJGFVHNF-ZDUSSCGKSA-N 342.399 1.364 0 40 EDAB COc1cccc2c1[C@@H](C(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1)CC2 529957970 DIAUXRNMHYSKTI-ZOCIIQOWSA-N 333.428 1.564 0 40 EDAB COC(=O)N1CCN(CCNC(=O)c2cccc3ccccc23)CC1 44227063 RAYDQOIMAOGWCR-UHFFFAOYSA-N 341.411 1.954 0 40 EDAB COc1ccc(NC(=O)C[C@@H]2Cn3ncnc3N=C2O)c(OC)c1 40386507 SHNMOHOOGQRTNI-SECBINFHSA-N 331.332 1.542 0 40 EDAB Cc1cc(O)nc([C@H](C)N2CCN(C(=O)Cc3ccccc3)CC2)n1 192541207 RVSCPCCAMJMFPC-HNNXBMFYSA-N 340.427 1.939 0 40 EDAB O=C(COC[C@H]1CC[C@H]2[C@H](CCN2[C@H]2CCOC2)O1)N1CCCC1 96186724 GHXNCEWHSDOZQG-YVSFHVDLSA-N 338.448 1.036 0 40 EDAB CN1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CC[C@@H]21 96185616 VOIBWBIPLNAIES-PVAVHDDUSA-N 343.406 1.652 0 40 EDAB CC(=O)NC[C@@H]1CN(Cc2ccc3oc(C(=O)O)cc3c2)CCO1 577957995 POAWIYNWUBKSFL-CQSZACIVSA-N 332.356 1.468 0 40 EDAB COCCN1CCO[C@@H]2CN(C(=O)NCc3ccccc3)CC[C@@H]2C1 96249622 ULMYZLXRKGBFIO-QZTJIDSGSA-N 347.459 1.565 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(c3ncncc3C)CC2)c(C)c1 96024462 WISMTIVULXJCPM-UHFFFAOYSA-N 346.456 1.913 0 40 EDAB CC1=NC(=O)[C@]2(CC[C@@H]3CN(C(=O)NCc4cccc(F)c4)C[C@@H]32)N1 96261391 FDSILRVMRGFHOH-QIIPPGSGSA-N 344.390 1.664 0 40 EDAB O=C(Cc1ccco1)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 96209457 ZTXQTDYSOQDZID-DOTOQJQBSA-N 330.384 1.775 0 40 EDAB COC[C@H](NS(=O)(=O)c1cncc(C(=O)O)c1)c1ccc(C)o1 582665277 TWTOXKRQRWIDFA-LBPRGKRZSA-N 340.357 1.347 0 40 EDAB Cc1cnc(C(=O)N[C@H]2CCc3c(ccc(=O)n3CC3CC3)C2)cn1 96067660 XCZWCNIZXTYIOW-HNNXBMFYSA-N 338.411 1.644 0 40 EDAB O=C(CCCn1nnc2ccccc2c1=O)Nc1nc(C2CC2)n[nH]1 95478698 MERKPFLTAPXMGP-UHFFFAOYSA-N 339.359 1.206 0 40 EDAB CCN1C[C@@H]2[C@@H](OC)CCN(S(=O)(=O)c3ccccc3F)[C@@H]2C1 96109405 LHCAHNPKCKGPLK-CFVMTHIKSA-N 342.436 1.555 0 40 EDAB Cc1cc(C(=O)NC2CCN(c3ncnc4c3cnn4C)CC2)no1 97160060 VFUBDOMRYIRDCY-UHFFFAOYSA-N 341.375 1.059 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@@H]1[C@H]1CCCN1C(C)=O 583621866 GMVWXSYGRVZCBJ-XLYJWPIUSA-N 347.463 1.129 0 40 EDAB O=C(O)c1cccc(-n2nc([C@@H]3CCOC3)nc2-c2ncc[nH]2)c1 97551471 AXTYJZWEEAMKIV-LLVKDONJSA-N 325.328 1.860 0 40 EDAB CC(C)N1Cc2ccnn2C[C@H](CNS(=O)(=O)c2ccccc2)C1 247982384 HOFGWMWAALTFKN-OAHLLOKOSA-N 348.472 1.702 0 40 EDAB Nc1nccnc1C[C@@H]1CCCN(C(=O)CCc2cccnc2)C1 257237385 HGFZDRXQHWHLOD-HNNXBMFYSA-N 325.416 1.868 0 40 EDAB O=c1/c(=C/Nc2ccc(F)cc2)sc2nc(-c3ccncc3)nn12 256055338 CLUIFLIHYUYMGA-LCYFTJDESA-N 339.355 1.921 0 40 EDAB O=C(/C=C/c1ccccc1Cl)N1CCC(N2C(=O)CNC2=O)CC1 253473042 RDDLMAXIHKGONS-AATRIKPKSA-N 347.802 1.896 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2C(=O)NCC2(C)C)cc1Cl 585094103 AZOFXJCZFFEUKK-NSHDSACASA-N 332.809 1.152 0 40 EDAB COC(=O)C1(CNC(=O)c2nc3n(c2Br)CCC3)CC1 585089478 PVSNQCMCAOMEOL-UHFFFAOYSA-N 342.193 1.275 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(Cc2c[nH]nc2-c2cccs2)C1 257318902 VPWXRQKYHVNZJN-CYBMUJFWSA-N 333.461 1.248 0 40 EDAB CN1CCC(CN[C@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1 585136302 AFJDDHQQOLTYQF-OAHLLOKOSA-N 327.469 1.554 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)c1nnn(CC(=O)NC2CCCC2)n1 585118140 DIXBRJLACAKNEV-SNVBAGLBSA-N 338.412 1.318 0 40 EDAB O=C1NC(=O)/C(=C/N2N=C(c3ccc(F)cc3)C[C@@H]2C(=O)O)S1 256028061 RBKMETKFTAYZOX-CHPNCVJKSA-N 335.316 1.513 0 40 EDAB NC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCO1 257340938 ZIFDJDUICONSIN-HNNXBMFYSA-N 330.340 1.331 0 40 EDAB O=C(NC[C@@]1(O)CCN(c2ccccn2)C1)c1noc2c1CCCC2 257204431 AUOYILLSMOEJRA-SFHVURJKSA-N 342.399 1.320 0 40 EDAB CCn1nccc1-c1nccnc1C[C@@H]1CCCN(S(C)(=O)=O)C1 257264782 LVZWAIRUQIPLCW-ZDUSSCGKSA-N 349.460 1.574 0 40 EDAB Cn1cc(C(=O)N2CCCC[C@H]2c2cc(O)n3ccnc3n2)cn1 257311034 UHQVHNXHGFTAFR-ZDUSSCGKSA-N 326.360 1.536 0 40 EDAB O=C(Nc1ccccc1)NC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 262748401 JBLRUNWPAGQANN-ZIAGYGMSSA-N 331.372 1.520 0 40 EDAB CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2=O)C(=O)O 263217138 PUNHMVFRPZYPOQ-CQSZACIVSA-N 339.413 1.983 0 40 EDAB O=C(O)C1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 262504196 NXWSZVKRMFTTFX-HNNXBMFYSA-N 346.383 1.741 0 40 EDAB CC1(CO)CN(C(=O)NC2CCC(O)(c3cccc(F)c3)CC2)C1 1615003452 KWMMIGUVQBRDNG-UHFFFAOYSA-N 336.407 1.980 0 40 EDAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ncn(CC(=O)O)n1 647780115 BPTQDUSGPJINCV-UHFFFAOYSA-N 329.238 1.337 0 40 EDAB CCN1CC[C@]2(CN(C(=O)c3ccn(C)n3)CC(F)(F)C2)C1=O 585093299 OHEKTMZPOAWUQO-AWEZNQCLSA-N 326.347 1.140 0 40 EDAB CO[C@H]1CN(C(C)=O)C[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 585280228 DEQLJHACODITGA-WMZOPIPTSA-N 345.443 1.219 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@@H]1OC 585276625 BSMLESQNBCSUHA-ZBFHGGJFSA-N 327.384 1.458 0 40 EDAB COCCc1cnc2n1CCN(C(=O)c1cccnc1OC)[C@H]2C 585097549 LOJCHVMRCSKGDX-LBPRGKRZSA-N 330.388 1.693 0 40 EDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2CC(=O)Nc2ccn(C)n2)cc1 585277378 TUIIPGRQPFAGNE-IRXDYDNUSA-N 342.443 1.735 0 40 EDAB O=S(=O)(NC[C@H]1CN(Cc2ccoc2)Cc2ccnn21)C1CC1 585112715 UIVCHDYGLOUHHN-AWEZNQCLSA-N 336.417 1.115 0 40 EDAB Cc1cnc([C@H]2COCCN2C(=O)Cc2c(C)nc3ccccn23)[nH]1 585181465 SHTAVCGUDSDKRD-OAHLLOKOSA-N 339.399 1.817 0 40 EDAB CO[C@@]1(COc2ccccc2)CCN(C(=O)CCn2nnnc2C)C1 585275584 DKOUHOJDUPEWPT-KRWDZBQOSA-N 345.403 1.068 0 40 EDAB Cn1ccc(CC(=O)N2C[C@@H]3CCN(Cc4cccnc4)[C@@H]3C2)n1 585107677 QSDPFIPKNNNTBJ-DOTOQJQBSA-N 325.416 1.091 0 40 EDAB CC(=O)N(CCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(C)C 48317362 IBOVSPXVXZLBNX-MRXNPFEDSA-N 345.443 1.803 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc(CC)n[nH]2)C1 54810137 ZIGUZVIBSWMVGA-SNVBAGLBSA-N 326.422 1.261 0 40 EDAB COc1cccc(OC)c1Oc1ccc(CNS(C)(=O)=O)cn1 56114195 LQGXSJLQEDECCR-UHFFFAOYSA-N 338.385 1.940 0 40 EDAB CN(C)C1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 71846644 JDVKROSZBDRMBW-UHFFFAOYSA-N 342.237 1.163 0 40 EDAB CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)Cc1cn2ccccc2n1 69453796 WTQHYWLLVGPYMZ-AWEZNQCLSA-N 346.456 1.645 0 40 EDAB COC(=O)Nc1ccccc1C(=O)NCCNC(=O)C1CCCC1 71903884 BHLBQPYDKIFMNB-UHFFFAOYSA-N 333.388 1.901 0 40 EDAB Cc1ncn(CC(=O)NCc2ccccc2)c(=O)c1Br 90766827 FIQFITIMQWJKGZ-UHFFFAOYSA-N 336.189 1.631 0 40 EDAB C[C@@H]1Oc2ccc(S(=O)(=O)NCc3cccnc3)cc2NC1=O 12148076 RFFHZVKWAZSBHB-JTQLQIEISA-N 333.369 1.280 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(N)=O)cc2)cc1 13585067 JXDFSKYUZRETBK-UHFFFAOYSA-N 334.397 1.684 0 40 EDAB CC(=O)N1CCc2nnc(C3CCN(CC(C)(C)C)CC3)n2CC1 19708970 ZCKJDQFKTHHLLQ-UHFFFAOYSA-N 333.480 1.908 0 40 EDAB C[C@@H](CC(=O)N1CC(S(=O)(=O)C2CCCCC2)C1)n1ccnc1 206583914 MUJVNYCDRCLYBL-ZDUSSCGKSA-N 339.461 1.793 0 40 EDAB Cc1cc(N2CCN(C)C(C)(C)C2)n2nc(C(F)(F)F)nc2n1 521398508 LDSUCKHPJZEFHA-UHFFFAOYSA-N 328.342 1.982 0 40 EDAB C[C@@H]1CCCCN1C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 5272505 FFDXWUNUGYHZIC-GFCCVEGCSA-N 336.413 1.622 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)O)cc1F 572458722 GTYVWMVGUNTLRK-GFCCVEGCSA-N 331.365 1.387 0 40 EDAB CNC(=O)[C@]1(COC)CCCN1C(=O)CC1CCC(F)(F)CC1 585123751 CIHIVORLCDLHNM-OAHLLOKOSA-N 332.391 1.956 0 40 EDAB Cc1ccncc1[C@@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 585140113 JUUVISGNYGRJFJ-CQSZACIVSA-N 334.445 1.919 0 40 EDAB NC(=O)c1ccsc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 5854878 JENPAOVQLNQNNL-UHFFFAOYSA-N 342.380 1.969 0 40 EDAB O=C(Cn1cnc(C2CC2)cc1=O)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1888860542 XQBVTODQEAIIRX-GASCZTMLSA-N 342.443 1.063 0 40 EDAB COc1ccc(C(=O)NC2CN(c3ccccn3)C2)c(OC)c1OC 1888863584 VZKDQMNMGGRHLV-UHFFFAOYSA-N 343.383 1.726 0 40 EDAB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(F)cc1 34879002 AJOMQDOSCXQRDW-WFASDCNBSA-N 342.436 1.292 0 40 EDAB CN1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)c3ccnn3C)C2)C1 1565541610 FISBEPMXFYLGES-MAUKXSAKSA-N 332.448 1.241 0 40 EDAB O=C(c1ccc2nc[nH]c2c1)N1CCN(c2nccs2)C(=O)C1 1565523028 DVVBDNZVPRCSBN-UHFFFAOYSA-N 327.369 1.508 0 40 EDAB CCc1nccn1CC1CN(C(=O)c2cnn(-c3ccccc3)n2)C1 1849221206 VAZYBLCBBZFLCY-UHFFFAOYSA-N 336.399 1.798 0 40 EDAB CCC(=O)N1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771731 SOFJLUBMGAVKPD-ZDUSSCGKSA-N 332.326 1.289 0 40 EDAB COc1cc(C(=O)N2Cc3cn(C)nc3[C@@H](COCC3CC3)C2)on1 2055751110 JIWSFTYOJBCNCZ-CYBMUJFWSA-N 346.387 1.583 0 40 EDAB Cc1ncoc1C(=O)N[C@H]1CCc2onc(C(=O)NC(C)C)c2C1 2055734698 MFGXTDZTNOUQQA-JTQLQIEISA-N 332.360 1.397 0 40 EDAB CC(=O)NCCn1ncc2c(NCc3ccc(F)cc3)ncnc21 38484601 FWNHQEMKDKFSGC-UHFFFAOYSA-N 328.351 1.714 0 40 EDAB Cc1ccc(N2CCN(CC(=O)N[C@H]3CCSC3=O)C2=O)cc1 49379713 RGYSPBRROHRQSE-ZDUSSCGKSA-N 333.413 1.385 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cn1 206713903 KJXGQKKNTKZFHB-LBPRGKRZSA-N 349.334 1.451 0 40 EDAB C[S@](=O)c1nncn1Cc1nc(N)c2c3c(sc2n1)CCCC3 103923611 YYFAKQACJQHSGE-HSZRJFAPSA-N 348.457 1.530 0 40 EDAB CCOC(=O)C1=C(C)NC(=O)[C@@]1(NC(=O)c1ccco1)C(F)(F)F 100152629 MEUSEWJZKULHME-CYBMUJFWSA-N 346.261 1.277 0 40 EDAB O=C(NCc1cccnc1-n1cccn1)c1ccc(-n2ccnc2)nc1 31227406 WQRVRQOAJPHYMG-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB O=S(=O)(N1CCCCCC1)N1CCN(Cc2ccco2)CC1 40488039 IVFLOLLPEWGPAJ-UHFFFAOYSA-N 327.450 1.518 0 40 EDAB CCN(CC)S(=O)(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 40488043 UYEDMHWMQCPPGC-AWEZNQCLSA-N 345.465 1.138 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccccc2)CCO1 50857458 VTWYCXIZBFNSSF-MRXNPFEDSA-N 338.363 1.244 0 40 EDAB CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cn1 31604864 VMJNYQFIGMYNMU-CYBMUJFWSA-N 339.399 1.530 0 40 EDAB COc1ccccc1C(=O)NCCCN(C(C)C)S(C)(=O)=O 40535273 RGKMWPCIDLRHSD-UHFFFAOYSA-N 328.434 1.485 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccco2)c1=O 17910419 BQIRMONYQTZSPS-UHFFFAOYSA-N 341.367 1.135 0 40 EDAB CC(C)N(CC(N)=O)CC(=O)N[C@@H](C)Cc1c(F)cccc1F 51966613 ZFOPUJLAIOXGJV-NSHDSACASA-N 327.375 1.208 0 40 EDAB O[C@H](COCc1ccccc1F)CN1CCN(c2ncccn2)CC1 46346188 DUFDHMCJIWSOKE-INIZCTEOSA-N 346.406 1.315 0 40 EDAB COc1cccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)c1 308580 XESVEZMGYIPWBM-UHFFFAOYSA-N 349.412 1.173 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1 1099686 MWLZHIVCKCIJQY-UHFFFAOYSA-N 325.434 1.237 0 40 EDAB COc1cc2c(c([C@@]3(O)C(=O)N(C)c4ccccc43)c1OC)OCO2 1612068 QDFZIRSAHZISLW-GOSISDBHSA-N 343.335 1.645 0 40 EDAB FC(F)(F)c1nnc2ccc(NCc3nnc4n3CCCC4)nn12 52394897 CQLAFJVWECAOTH-UHFFFAOYSA-N 338.297 1.683 0 40 EDAB Cc1ccc(OCC(=O)N2CC[C@@H](C(N)=O)C2)c(Br)c1 41128398 HXUKHRXETLPJAH-SNVBAGLBSA-N 341.205 1.470 0 40 EDAB Cc1cc(C(=O)N2CCN(c3ncnc4ccsc34)CC2)on1 52451046 NCIAOKHOQKLVMQ-UHFFFAOYSA-N 329.385 1.950 0 40 EDAB CN(C)C(=O)COc1cccc(CNc2ncnc3[nH]cnc23)c1 52429433 WURLMTWDVJAWIH-UHFFFAOYSA-N 326.360 1.432 0 40 EDAB CN(C)C(=O)Cc1nc(CSc2nc3ncccn3n2)cs1 32832068 CEGNPFOKYZWGJY-UHFFFAOYSA-N 334.430 1.504 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)N1CCCC1 4984937 KZFLYJOGFZDFPV-OAHLLOKOSA-N 327.384 1.260 0 40 EDAB COc1ccccc1C(=O)NCC(=O)Nc1ccc2c(c1)OCO2 7814205 UMZCMNIBRAPGJG-UHFFFAOYSA-N 328.324 1.792 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]1O2 107264477 PDEWHNNYHOFPQF-GBESFXJTSA-N 337.423 1.987 0 40 EDAB CS(=O)(=O)Nc1ccccc1CNC(=O)COc1ccccc1 32930703 JRRRXESZHMQRCF-UHFFFAOYSA-N 334.397 1.753 0 40 EDAB Cc1cccc(C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 32914965 LREVTGQJEPQKRN-KBPBESRZSA-N 340.445 1.164 0 40 EDAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC(n2ccnn2)C1 96000457 XICTUAYREOLIPY-UHFFFAOYSA-N 333.200 1.831 0 40 EDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCOC1 41374218 XOKDLOXAPQUNOL-GUYCJALGSA-N 329.400 1.368 0 40 EDAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC[C@@H]1CCOC1 41374159 IXKYOIKOHHAARW-IWUURBKTSA-N 334.460 1.862 0 40 EDAB CC[C@](C)(CNC(=O)CCc1c(C)nn(C)c1C)N1CCOCC1 41406813 ODWPCCMOUKYCQP-GOSISDBHSA-N 336.480 1.587 0 40 EDAB COc1ccc(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)cn1 9415644 UBRGCXQYJOJMLG-UHFFFAOYSA-N 341.396 1.876 0 40 EDAB CCN1C[C@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 76058538 XATFPABZPLFHKT-GXTWGEPZSA-N 340.445 1.466 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3ccn(C)n3)c(C)c12 47443535 SWSQWMGKLRFJGF-UHFFFAOYSA-N 328.376 1.183 0 40 EDAB CC(C)(C)c1n[nH]c([C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n1 76049765 QUXIXFQPIRILLT-NSHDSACASA-N 332.408 1.936 0 40 EDAB CCS(=O)(=O)N1CCO[C@H]2CC[C@H]1[C@H]2Oc1ncccc1F 107722192 VDYAQEZHAQPQKF-RWMBFGLXSA-N 330.381 1.181 0 40 EDAB O=C(Nc1nc[nH]n1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 23141122 JTFZCQJYDXNKKJ-UHFFFAOYSA-N 335.314 1.574 0 40 EDAB C[C@@H](CC(=O)NS(=O)(=O)N(C)Cc1ccccc1)n1cccc1 76016894 FIJKCUHMGQANSY-AWEZNQCLSA-N 335.429 1.932 0 40 EDAB CCOc1ccccc1-c1cc(C(=O)N2CCC(C(N)=O)CC2)n[nH]1 47720951 KOMYUIXONFVUSM-UHFFFAOYSA-N 342.399 1.813 0 40 EDAB Cc1ccccc1C(=O)N1CCC2(CC1)CC(NS(C)(=O)=O)C2 108529118 ZXGAXGHNIDUKSZ-UHFFFAOYSA-N 336.457 1.929 0 40 EDAB NC(=O)c1cccc(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)c1 105131432 AIFIESLPAVFTDL-QGZVFWFLSA-N 344.459 1.945 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 24085109 MYIDRVUOJUFAAA-LLVKDONJSA-N 335.379 1.210 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)no1 102849973 HNEOJLZLLLJEKS-RBSFLKMASA-N 346.431 1.502 0 40 EDAB COc1ccccc1CNC(=O)[C@]1(C)Oc2cccnc2NC1=O 1384565 FTMYHCWQEJUNGA-KRWDZBQOSA-N 327.340 1.496 0 40 EDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1cc2ccccc2c(=O)[nH]1 47982722 XVBAAMNRBLOLDQ-UHFFFAOYSA-N 329.400 1.905 0 40 EDAB CC[C@@H]1CN(CC(=O)NCCc2ccsc2)CCN1C[C@H](C)O 106906881 MFESKHGLHODKCU-GOEBONIOSA-N 339.505 1.184 0 40 EDAB CCn1cc(NC(=O)NCc2cccnc2N2CCOCC2)cn1 43644998 AWZBMYAMYXBVBV-UHFFFAOYSA-N 330.392 1.456 0 40 EDAB O=C1CCc2cc(OCC(=O)OCC(=O)N3CCCC3)ccc2N1 25668647 OUJPXCSIHDRQHZ-UHFFFAOYSA-N 332.356 1.116 0 40 EDAB CN(c1ccc(S(=O)(=O)N2CCOCC2)cn1)C1CCCCC1 25778205 IGXPRYLWXVBWFT-UHFFFAOYSA-N 339.461 1.871 0 40 EDAB Cc1ccc(C[C@H]2CCCN(C[C@@H](O)CN3CCOCC3)C2)cc1 107348934 RNWZTTWZTAVKPY-UXHICEINSA-N 332.488 1.943 0 40 EDAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 3365278 AOVNQYZISZFLSF-CYBMUJFWSA-N 339.461 1.750 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)c2n[nH]c(=O)c3ccccc23)C1 44871035 XVVUOWHRHDJKCI-ZDUSSCGKSA-N 344.415 1.010 0 40 EDAB NC(=O)Cn1ccc(NC(=O)c2occc2COc2ccccc2)n1 58264641 VZZBSVUAWOWGCM-UHFFFAOYSA-N 340.339 1.793 0 40 EDAB Cc1ccccc1CN(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 58292080 JEBVQSKWQKRTSD-UHFFFAOYSA-N 343.412 1.791 0 40 EDAB O=C1CO[C@H]2CN(C3CCOCC3)C[C@H]2N1Cc1ccc(F)cc1 67897191 PHFHJSRKJNRHAU-SJORKVTESA-N 334.391 1.416 0 40 EDAB biogenic,in-vitro CCc1cc(=O)oc2cc(OCC(=O)NCCCC(=O)O)ccc12 2104918 BGFOBFLXZYNCDV-UHFFFAOYSA-N 333.340 1.715 0 40 EDAB biogenic CN(CC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)s1 44937635 RDVRZELRNWKJMD-LLVKDONJSA-N 329.853 1.618 0 40 EDAB Cc1ccc(O)c(C(=O)N2CCN(C(=O)c3cnccn3)CC2)c1 58394372 RXLCDTBCRMDQRG-UHFFFAOYSA-N 326.356 1.089 0 40 EDAB COc1c(CNCCn2nc3ccccn3c2=O)c(C(C)C)nn1C 58407322 XABKNJTXLRIMBO-UHFFFAOYSA-N 344.419 1.151 0 40 EDAB CN(C)c1ncccc1CNC(=O)Nc1ccc(S(C)(=O)=O)nc1 48287769 YVKDTFKOBFTUFL-UHFFFAOYSA-N 349.416 1.268 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)C2=Cc3ccccc3OC2)C1 62303153 IZACCLFRSMGYBD-AWEZNQCLSA-N 336.413 1.003 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(-c2ccccn2)no1 48300993 HJKGYRSFTCCURD-INIZCTEOSA-N 349.394 1.805 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1nc2c(s1)CCCCC2 12830056 GIPJKMUDAFXWCZ-UHFFFAOYSA-N 348.428 1.668 0 40 EDAB Cc1ccc([C@H](O)CN2CCN(Cc3nccn3C)CC2)cc1C 69534833 ITKPTCQKISCKSN-GOSISDBHSA-N 328.460 1.888 0 40 EDAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)NC2CC2)no1 12982456 DJHVUGCTTOZEGO-QGZVFWFLSA-N 342.399 1.873 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Nc2ccccc2SC)CC1 69631488 SHTJFNNWHVCPJE-UHFFFAOYSA-N 343.474 1.908 0 40 EDAB COc1ccc([C@H]2C[C@H]2C(=O)N2CCN(CC(C)(C)O)CC2)cc1 69772110 FHRLTNAWJGVJKK-IAGOWNOFSA-N 332.444 1.714 0 40 EDAB C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)C(=O)NC(=O)NC1CC1 63897268 CUIFBZRQNHRPLG-SNVBAGLBSA-N 339.417 1.020 0 40 EDAB COCCN1CCN(CC(=O)Nc2ccnn2C2CCCC2)C[C@H]1C 69849562 BIQGYAVILRAEAV-OAHLLOKOSA-N 349.479 1.589 0 40 EDAB O=c1[nH]c(SCc2cc(=O)n3ccccc3n2)nc2c1CCC2 13750324 DFXWCCIIAZUPAB-UHFFFAOYSA-N 326.381 1.559 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 69951087 ITYRKHVMJNSMSY-UHFFFAOYSA-N 342.443 1.460 0 40 EDAB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCC2(CC1)OCCO2 5122989 TXGWYOWRGPIDQJ-AWEZNQCLSA-N 345.399 1.340 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)COc2ccccc2F)C1=O 65399434 UTNXRIOVDQMXLB-APPDUMDISA-N 348.330 1.626 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1C(=O)c2ccccc2C1=O 6383874 OBPWGNKEWJHINW-BXUZGUMPSA-N 343.383 1.687 0 40 EDAB CCNC(=O)NC(=O)CSc1nc(NCC)c2ccccc2n1 8775168 CIOCIOZBAVITJW-UHFFFAOYSA-N 333.417 1.999 0 40 EDAB O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 65549283 PJIFWEBDNBSELU-ZIAGYGMSSA-N 338.408 1.275 0 40 EDAB O=C(CN1CCN(c2ccccn2)CC1)N1CCc2sccc2C1 14190711 VNEWJMUXKZEHED-UHFFFAOYSA-N 342.468 1.850 0 40 EDAB CN(Cn1nc2n(c1=S)CCCCC2)[C@@H]1CCS(=O)(=O)C1 14169464 OSABJUZJAWZKNW-LLVKDONJSA-N 330.479 1.217 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1ccc(C(=O)O)cc1)c1ccccc1 14125295 HXQYWORZECHTHW-MRXNPFEDSA-N 348.424 1.966 0 40 EDAB CN1CCO[C@H](CNc2nc(-c3ccncc3)nc3c2CCC3)C1 65614328 IXDDINICXBFTRV-CQSZACIVSA-N 325.416 1.770 0 40 EDAB O=C(CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NC1CCCC1 5428207 FEJZDLVGNJKBOX-INIZCTEOSA-N 341.411 1.824 0 40 EDAB CN1N=C(C(=O)NCCOc2ccc3ccccc3c2)CCC1=O 9337135 DNSSFTSTFXYKLC-UHFFFAOYSA-N 325.368 1.943 0 40 EDAB CN1C(=O)C2(Cc3cccc(F)c3N3CCC[C@H]32)C(=O)N(C)C1=S 6670038 XXWOASWWBLHYRW-LBPRGKRZSA-N 347.415 1.552 0 40 EDAB COc1ccc(-c2noc(CN3CCCC[C@H]3C(N)=O)n2)cc1OC 66563247 VLHLQYRZNGNDQB-LBPRGKRZSA-N 346.387 1.594 0 40 EDAB O=C(O)[C@H]1CCCN(C(=O)COc2ccc3ccc(=O)oc3c2)C1 8879348 VUXXHUHCZSFHBG-LBPRGKRZSA-N 331.324 1.495 0 40 EDAB biogenic CC(C)NC(=O)NCc1ccc(C(=O)OCC(=O)NC2CC2)cc1 6849839 IGCPIAIHOOFEMJ-UHFFFAOYSA-N 333.388 1.330 0 40 EDAB NC(=O)C1CCN(C(=O)CN2CCC[C@H](c3ccccc3)CC2)CC1 66898178 HOLDUGIARCDPTH-KRWDZBQOSA-N 343.471 1.980 0 40 EDAB O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)c1cccnc1 6927952 KYYPIUZGIQSLSB-UHFFFAOYSA-N 345.380 1.367 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]12 409288410 HDCIGZYTDLPJNV-YYAJDYIMSA-N 341.363 1.680 0 40 EDAB Cc1cc(C)c(C(=O)CC2(C(F)(F)C(F)F)NCCN2)c(=O)[nH]1 19325772 XHXNBUDDSOFZSV-UHFFFAOYSA-N 335.301 1.354 0 40 EDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCc2sccc2C1 71186079 RCRGNWABOWDBKB-UHFFFAOYSA-N 328.397 1.520 0 40 EDAB Cc1ccc(NC(=O)NC(=O)COC(=O)c2c(C)noc2N)c(C)c1 16326920 LZHZEENREGTOQH-UHFFFAOYSA-N 346.343 1.687 0 40 EDAB Cc1cc(NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)on1 70039668 PZYBRUXHDCWDIG-HNNXBMFYSA-N 330.388 1.866 0 40 EDAB COC(=O)c1ccc(N2CCN(C(=O)c3cc[nH]n3)[C@@H](C)C2)cc1 69325017 NKSSESGJCLGUQP-LBPRGKRZSA-N 328.372 1.547 0 40 EDAB O=S1(=O)N[C@H](Cc2ccc3c(c2)OCO3)[C@@H](O)c2ccccc21 9483167 HLYJFIKEMXFAJO-WBMJQRKESA-N 333.365 1.352 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N[C@H](C(C)C)C2=O)c(OC)c1 9502105 AVWGZHGYYWUNJY-CQSZACIVSA-N 335.360 1.219 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(Cc3ccncc3)CC2)cn1 71830439 GNIYPIMISWOJNF-IAGOWNOFSA-N 325.416 1.263 0 40 EDAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC[C@@H]1Cn1cccn1 71875555 JJNHJOLOOLLNGA-NWDGAFQWSA-N 347.444 1.535 0 40 EDAB Cc1c(C(=O)Nc2nnn[nH]2)cnn1-c1cccc(Br)c1 71879988 UZCSGKAAAWGKES-UHFFFAOYSA-N 348.164 1.709 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)N1 71818687 UBFDANTXORHDNE-ZJUUUORDSA-N 347.337 1.556 0 40 EDAB COc1c([C@@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)c(C)nn1C 72253751 TZJPMRFCFHOJED-LBPRGKRZSA-N 349.435 1.204 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)no1 72299179 MDJSFTVNOMAUQB-ZDUSSCGKSA-N 326.360 1.740 0 40 EDAB O=C(c1ccc(N2CCNC2=O)cc1)N1CCC[C@H](n2cncn2)C1 72234783 FKLAFMNLYUPWAD-HNNXBMFYSA-N 340.387 1.285 0 40 EDAB CC(C)c1ncc2c(n1)CN(C[C@@H](O)COC[C@@H]1CCCO1)CC2 72268760 FKERWZSCBHNHNQ-CVEARBPZSA-N 335.448 1.515 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN([C@@H](C)C(=O)NC3CCCCC3)CCO2)n1 72253413 XYRVMEYOUCCVFL-GUYCJALGSA-N 349.479 1.433 0 40 EDAB CCc1cc(-n2nnnc2[C@H]2CCCNC2)nc(-c2ccncc2)n1 97117840 GOOBWKXMNCWTHO-ZDUSSCGKSA-N 336.403 1.544 0 40 EDAB O=C1CCc2cc(OCC(=O)N[C@H]3CCc4nccn4C3)ccc2N1 97197967 PUTXLZCTVPTZKG-ZDUSSCGKSA-N 340.383 1.278 0 40 EDAB CCc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(C2OCCO2)O1 409308233 WPRHYGNFGCGTBR-NXEZDXNNSA-N 341.363 1.435 0 40 EDAB CCCCCCNC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 78869738 RBERCOXPILVZPH-UHFFFAOYSA-N 331.438 1.250 0 40 EDAB NC(=O)c1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)nc1 78814608 GCHKXJYWXNHNGI-CYBMUJFWSA-N 347.758 1.780 0 40 EDAB CNC(=O)CC1CCN(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1 72525145 RVUNQODAEMAGIQ-HOTGVXAUSA-N 347.463 1.925 0 40 EDAB O=c1ccccn1CCN1CCN(CCOc2ccc(F)cc2)CC1 95360762 JYYBAWPEBCBHTB-UHFFFAOYSA-N 345.418 1.684 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)c3cc(C(N)=O)cs3)CCO2)n1 84630844 UINMRGLWTFSBAT-SNVBAGLBSA-N 349.416 1.302 0 40 EDAB NC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1n[nH]c(=O)c2ccccc12 79099399 JNIZDYGMEHGHCF-QWHCGFSZSA-N 328.372 1.087 0 40 EDAB CN1CC[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1=O 95421927 RVBSXHJOILXPJX-RYUDHWBXSA-N 329.322 1.690 0 40 EDAB CC(=O)c1cccc(NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1 95442285 ROSFJHSIMAKXNL-ZDUSSCGKSA-N 325.390 1.174 0 40 EDAB COC(=O)C[C@@H]1CN(c2ncc(Br)cc2C)CCO1 95412142 MGPWLCXTHPOPPR-LLVKDONJSA-N 329.194 1.921 0 40 EDAB CC(C)c1cc(C(=O)NCC(=O)N(C)Cc2ccncc2)n(C)n1 95405821 FIOLERCHDDPFBE-UHFFFAOYSA-N 329.404 1.327 0 40 EDAB O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(CN2CCC(CO)CC2)cc1 95450583 FSGDUIBXDCGJDL-RTBURBONSA-N 346.471 1.924 0 40 EDAB Cc1c(C(=O)NC2(C)CCCC2)cnn1[C@@H]1CCS(=O)(=O)C1 95955540 RTUDZBJOOXAGKZ-GFCCVEGCSA-N 325.434 1.614 0 40 EDAB CN(Cc1ccco1)C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 89363695 ZXLQBVNZBXWBGO-INIZCTEOSA-N 328.368 1.666 0 40 EDAB Cc1[nH]ncc1C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 75093826 TVMXASUECHGDAW-UHFFFAOYSA-N 344.390 1.774 0 40 EDAB Cc1ccc(NC(=O)CN2CSCC2=O)c(OCCN(C)C)c1 75143165 FLXRRMCXZFQJRM-UHFFFAOYSA-N 337.445 1.407 0 40 EDAB CC(=O)N1CC[C@@H](C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)C1 75104176 NTESWQOLLKAZJU-CYBMUJFWSA-N 332.400 1.678 0 40 EDAB Cc1ccc(C(=O)NC[C@H](O)COc2c(C)cccc2C)c(=O)[nH]1 75123743 YHMDUQGZVKTANK-AWEZNQCLSA-N 330.384 1.470 0 40 EDAB Cc1ccc([C@H](NC(=O)CNC[C@@H]2CN(C)CCO2)C2CC2)cc1 75133310 DVQKKCAITAKVEK-MJGOQNOKSA-N 331.460 1.483 0 40 EDAB CC[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@@H]1N(C)C 89948458 LTGYMFUVEFZTSS-BBRMVZONSA-N 328.416 1.195 0 40 EDAB Cc1nc2ccccc2n1CCCNC(=O)[C@@H]1CCS(=O)(=O)C1 41902471 PFJNOHCULBIBLA-CYBMUJFWSA-N 335.429 1.286 0 40 EDAB Cn1cc(CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cn1 68829538 CDOYCYHWXHFWTJ-SFHVURJKSA-N 339.443 1.343 0 40 EDAB CCN(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccccc1 39985315 AFEGRIVMVXVKEV-UHFFFAOYSA-N 342.461 1.629 0 40 EDAB NC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 35898086 IYLZVIBRIULOIL-ULCXWNMLSA-N 346.408 1.797 0 40 EDAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CC1 217442222 NXXRAWFQHFKYNO-UHFFFAOYSA-N 342.417 1.664 0 40 EDAB CCCn1cc(C(=O)N2CCN(c3nc(C)ns3)CC2)c(C)n1 1055878773 VRYOMEKCLDDUID-UHFFFAOYSA-N 334.449 1.724 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)cc1 30516873 CDWMFJUMOPGBMN-UHFFFAOYSA-N 341.411 1.352 0 40 EDAB CNc1cccc(C[C@H]2COCCN(C(=O)c3cccnc3)C2)n1 72388173 NHLGKLWZUHKPDF-CQSZACIVSA-N 326.400 1.850 0 40 EDAB O=C(NCc1ccccc1)C1CN(C(=O)COc2ccccc2F)C1 70814341 NSTNFHGZLAKLQD-UHFFFAOYSA-N 342.370 1.979 0 40 EDAB O=C1COc2nc3cc4c(cc3cc2CN1C[C@@H]1CCCO1)OCO4 72341563 SIVQFSUTMVWKCM-ZDUSSCGKSA-N 342.351 1.864 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1 73829129 MLHOYIJCDRWHCR-KGLIPLIRSA-N 347.440 1.828 0 40 EDAB COC[C@@H]1CN(Cc2ccc3nccnc3c2)CCN(C(C)=O)C1 72354500 NXVFPWMBZPSZOP-MRXNPFEDSA-N 328.416 1.557 0 40 EDAB CNCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3ccccn3)n2)C1 72360907 UXFLPEFMCRTJCE-AWEZNQCLSA-N 340.431 1.849 0 40 EDAB CCOC(=O)c1cnc(-c2ccc(N3CCCC3)c(N)c2)[nH]c1=O 225404288 AMGHPSZXVOSOBD-UHFFFAOYSA-N 328.372 1.796 0 40 EDAB COC(=O)CCNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 41097418 XVNMPSIFBCHGMH-UHFFFAOYSA-N 334.416 1.783 0 40 EDAB Cc1cc(N2CCOCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 225909478 SBVMFQVZXSCPBN-GFCCVEGCSA-N 337.449 1.087 0 40 EDAB CCOc1ccc(C(=O)N2CCC(c3cc(C(N)=O)[nH]n3)CC2)cc1 225558284 QFRRFOFQSIXONX-UHFFFAOYSA-N 342.399 1.927 0 40 EDAB Cc1cc(-c2noc(CNC(=O)c3ccc4c(c3)OCO4)n2)no1 225812019 OIMGORDDSQWROR-UHFFFAOYSA-N 328.284 1.692 0 40 EDAB C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)[C@@H]1c1ccccc1 572167611 LQELDYZAKJLBJS-ATGSNQNLSA-N 325.416 1.941 0 40 EDAB CC(=O)N1CCN(C(=O)c2c(-c3ccccc3)noc2[C@H](C)O)CC1 225438254 QDUOXFHHWGVHCV-LBPRGKRZSA-N 343.383 1.699 0 40 EDAB biogenic,in-vitro O=c1[nH]cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)[nH]1 223283269 OBBDCRWCBQYBDF-UHFFFAOYSA-N 336.156 1.171 0 40 EDAB O=C(NCCCc1cnc2ncnn2c1)c1ccc2c(c1)OCO2 225641737 WERBMHOVVBSHNB-UHFFFAOYSA-N 325.328 1.216 0 40 EDAB CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)CC(C)C)C[C@@H]32)C(=O)N1C 96261598 HBIHYKZQFJPTJG-DVOMOZLQSA-N 341.477 1.333 0 40 EDAB CN(CC(=O)N1CCNC1=O)Cc1csc(Br)c1 49001600 QQSVDDBBEMTJEJ-UHFFFAOYSA-N 332.223 1.494 0 40 EDAB Cc1ccc([C@@H]2[C@@H](C(=O)NCc3cccnc3)OCC(=O)N2C)cc1 96181519 NTIVVFGLFXNWHM-MSOLQXFVSA-N 339.395 1.605 0 40 EDAB Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)N(C)C)C3)C2=O)n1 96048833 LSJOWPFGCUMYIG-GOSISDBHSA-N 330.432 1.886 0 40 EDAB O=C1C[C@H](NC(=O)C2(c3ccccc3)CC2)CN1CC(F)(F)F 96414038 MDDMCGVVXDEXQA-LBPRGKRZSA-N 326.318 1.998 0 40 EDAB COc1ncccc1C(=O)N1C[C@H](OCC2CC2)[C@H]2OCCC[C@H]21 96187072 PVJNSFDZTPGLQR-PMPSAXMXSA-N 332.400 1.889 0 40 EDAB CC(=O)N1CCN(C(=O)CCN[C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 97233949 HIXNYMCLJYKCQJ-YWZLYKJASA-N 343.471 1.899 0 40 EDAB O=C(c1cccs1)N1CCOC2(CCN([C@@H]3CCOC3)CC2)C1 96158934 WSUFVYYSNWUAEA-CQSZACIVSA-N 336.457 1.844 0 40 EDAB CNC(=O)/C=C/CNC(=O)c1c[nH]c2c(C)c(Cl)ccc2c1=O 618254313 VOTXUVMJNUYLIU-ONEGZZNKSA-N 333.775 1.522 0 40 EDAB O=C(N[C@H]1CN(Cc2nccs2)[C@H]2CCCO[C@@H]12)c1cnccn1 96110734 SCIYHPKGMKBSPX-YDHLFZDLSA-N 345.428 1.095 0 40 EDAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4cccnc4)C[C@@H]32)N=C1C 96261501 ZRJRCEBDQSXRRK-ZIFCJYIRSA-N 342.443 1.569 0 40 EDAB O=C(c1ccco1)N1C[C@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 96082001 MHZPEOBDFSBPEY-CABCVRRESA-N 325.368 1.795 0 40 EDAB COc1cncc(N2CCN(CCC(=O)c3ccccc3)CC2)n1 96495516 NUAIFXUDCNYOBL-UHFFFAOYSA-N 326.400 1.880 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCc2nn(C)c(=O)cc2C1)c1ccc(F)cc1 238834981 GOJOKSFBTUZTBP-YPMHNXCESA-N 329.375 1.902 0 40 EDAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@H]1CC[S@@](=O)C1)C2 583598170 FUIFVPDWGINGFE-ZAMGYDSWSA-N 334.441 1.773 0 40 EDAB CN(C)c1cc(N2CC3(C[C@H](COCC4CC4)CCN3C)C2)ncn1 248135109 RINVWGSPBYQEFS-MRXNPFEDSA-N 345.491 1.870 0 40 EDAB Cc1noc(C)c1CN1CC2(C[C@H](OCC(=O)N(C)C)CS2)C1 248056597 YFGQXETVAHKCIU-ZDUSSCGKSA-N 339.461 1.456 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1C 583616397 NKSHMJONAWMCME-GVDBMIGSSA-N 339.457 1.854 0 40 EDAB CCN1C(=O)CCc2cc(S(=O)(=O)N3CCC(O)CC3)ccc21 252491289 LKVHOAICFTUTPH-UHFFFAOYSA-N 338.429 1.131 0 40 EDAB Cc1nc(CC(=O)N2CCOC[C@H](Cc3ccncn3)C2)cs1 257278800 ODSOIZKLZRANPA-CYBMUJFWSA-N 332.429 1.502 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(Cc3nccn3C)CCN2C)c1 257270033 MSNLRWIYONNZNI-INIZCTEOSA-N 327.432 1.268 0 40 EDAB CO[C@H]1CN(Cc2ccc3c(c2)n(C)c(=O)n3C)CC[C@@]12CCCO2 257222671 DUGRKESWQREMDF-HKUYNNGSSA-N 345.443 1.647 0 40 EDAB CC(=O)N1CCN(Cc2cnn(-c3ccccc3C(=O)O)c2)CC1 257334195 YEZBSXBPOFNSHS-UHFFFAOYSA-N 328.372 1.235 0 40 EDAB CNc1cnc(C[C@@H]2CCCN(C(=O)c3ccncn3)CC2)cn1 257253461 JZAVIKPFUGSNRK-CYBMUJFWSA-N 326.404 1.793 0 40 EDAB COc1ccc([C@H]2CN(C(C)=O)CCN2Cc2cnn(C)c2)cc1 257252417 JUSMDXFBXOXYDD-GOSISDBHSA-N 328.416 1.834 0 40 EDAB Cc1cc(-c2nc(C)c[nH]2)nc(C2CCN(S(C)(=O)=O)CC2)n1 257322799 WHLAABKQQFPTMZ-UHFFFAOYSA-N 335.433 1.623 0 40 EDAB CN(C)CC(=O)N(c1ccc(F)cc1)[C@H]1COC2(CCNCC2)C1 257339162 ZALACKPMCIJWOI-MRXNPFEDSA-N 335.423 1.631 0 40 EDAB CC(C)COC[C@@H](O)Cn1cnc2c(ncn2-c2ccccc2)c1=O 585086401 SYLOCWIRBAXQCS-HNNXBMFYSA-N 342.399 1.616 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC=C(Cl)Cl)C1 585131443 VZCHKNQKPLBNIY-SECBINFHSA-N 329.249 1.483 0 40 EDAB O=C(NCCc1ccco1)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 585122028 KXCOLUFIAZOCIC-DZGCQCFKSA-N 343.301 1.749 0 40 EDAB COc1cccc(-n2cc(NC(=O)[C@]3(C)CCC(=O)NC3)nn2)c1 585125967 JWGVHNTWGZDLAT-MRXNPFEDSA-N 329.360 1.131 0 40 EDAB CCOc1ccc2nnc(CNC(=O)c3nn(CC)cc3Cl)n2n1 252492616 MQNYQAMBRNOPHL-UHFFFAOYSA-N 349.782 1.323 0 40 EDAB O=C(c1cccc(-n2cnnc2)c1)N1CCC2(CC1)OCCC[C@H]2O 257298182 RKNFFYVMRCVAPA-MRXNPFEDSA-N 342.399 1.413 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)ncn1 257267589 MHYZRYIPMRGATN-MRXNPFEDSA-N 344.415 1.793 0 40 EDAB Cc1cn(C)c([C@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1 257252258 JUDMYOJNCAVULG-CQSZACIVSA-N 327.450 1.764 0 40 EDAB Cn1cnc(S(=O)(=O)N[C@@H]2CCCOc3ccc(F)cc32)c1 590066565 BAJBBCKKWQBDFH-GFCCVEGCSA-N 325.365 1.751 0 40 EDAB COC(=O)Cc1cccc(NC(=O)c2cnnn2C2CCNCC2)c1 595926338 KHIYCFRZPWCFLK-UHFFFAOYSA-N 343.387 1.170 0 40 EDAB COc1cc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)ccc1[N+](=O)[O-] 390834380 XNNBAALVMOSPJV-UHFFFAOYSA-N 347.249 1.408 0 40 EDAB O=C(c1ccccc1C(F)(F)F)N1CC[C@@H](N2C(=O)CNC2=O)C1 575604810 BRLJXSIHTUWRAA-SECBINFHSA-N 341.289 1.472 0 40 EDAB Cn1cccc1C(=O)N1Cc2ncn(C)c2C[C@@H]1CN1CCCCC1 585094848 PZWRMDNKURIEAW-OAHLLOKOSA-N 341.459 1.812 0 40 EDAB C[C@@H]1CN(C(=O)C2CCN(C(=O)Nc3cccnc3)CC2)C[C@@H](C)O1 44972806 MSWXWZCZCZZKIB-ZIAGYGMSSA-N 346.431 1.961 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(OCC(N)=O)c(OC)c1 48308701 BFSSDQKOWDLKHY-LBPRGKRZSA-N 336.388 1.058 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)CC1 49725780 KAFBWHDNJREINR-INIZCTEOSA-N 349.862 1.648 0 40 EDAB CCOc1ccc(Cl)c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 55128817 ZANHVLXAMHENAO-SECBINFHSA-N 332.809 1.393 0 40 EDAB Cn1cc(C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)c(C(F)(F)F)n1 53293928 FWKYNNMLVMRTNH-NSHDSACASA-N 340.305 1.935 0 40 EDAB O=C(CNC(=O)NCc1ccccc1F)NCCc1ccccc1 58354712 MQLOUOVCODWENI-UHFFFAOYSA-N 329.375 1.984 0 40 EDAB Cc1ccc(NC(=O)CN(C)CC(=O)NC2CCC(C)CC2)nc1 69015862 WOZFXEHXEWYMLM-UHFFFAOYSA-N 332.448 1.955 0 40 EDAB C[C@H](NC(=O)NCCc1ccc(N(C)C)cc1)C(=O)NC(C)(C)C 69775128 WECMIKJXIRROAD-ZDUSSCGKSA-N 334.464 1.898 0 40 EDAB CCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)CC(=O)NC(C)C 95965016 YLEBARYDKTUNMY-QGZVFWFLSA-N 348.491 1.252 0 40 EDAB Cc1ccccc1CNC(=O)Cc1noc([C@]23CC[C@H]2CNC3)n1 1615058095 LLIYVPBUDHJWHF-KSSFIOAISA-N 326.400 1.488 0 40 EDAB NCCc1ccc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cc1 1615552239 DAAQVYXLYDSUAS-HUUCEWRRSA-N 327.350 1.460 0 40 EDAB CC(C)[C@@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1)C(=O)O 5007675 LHCKVTPMAGSYGW-BRADTZPFSA-N 346.339 1.869 0 40 EDAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC2CCCC2)c1 16092975 GRJLUYAPTQBHSA-UHFFFAOYSA-N 341.385 1.481 0 40 EDAB COC(=O)C[C@H]1SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 16739628 WUDAWDGZUDNFCP-LLVKDONJSA-N 336.369 1.561 0 40 EDAB COc1cc(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)cc(OC)c1OC 19575218 DZDZQFGBRSXCJD-BPLDGKMQSA-N 336.432 1.352 0 40 EDAB C[C@H](CNC(=O)c1cc2ccc(N(C)C)cc2[nH]1)N1CCOCC1 19656452 YCKGGPIYNOZKMV-CYBMUJFWSA-N 330.432 1.684 0 40 EDAB CNC(=O)[C@]1(C)CN(C(=O)c2cc3cc(C)ccc3n2C)CCO1 19746825 FJTAWNSXTQVDPI-SFHVURJKSA-N 329.400 1.464 0 40 EDAB CO[C@H]1[C@H](CNC(=O)CCc2ccc(F)cc2)COC[C@H]1OC 643585357 BVCPABPEJMOAGG-UNEWFSDZSA-N 325.380 1.551 0 40 EDAB COCCN1CCC(CNS(=O)(=O)c2cccc(C)c2)CC1 22999847 JOSOORCAHNPGMB-UHFFFAOYSA-N 326.462 1.632 0 40 EDAB C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCOCC1 24682589 BNVPZPBFDWJJFR-CQSZACIVSA-N 338.473 1.564 0 40 EDAB Cc1ccc(OCC2CCN(c3ncnc4c3ncn4C)CC2)nn1 1775996317 WLOJSIZNGKEXTF-UHFFFAOYSA-N 339.403 1.757 0 40 EDAB Cc1nc(CN2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)no1 1776009785 QNKAFNNCYQNEMC-UHFFFAOYSA-N 341.293 1.641 0 40 EDAB COC(=O)CNC(=O)N1C[C@@H](c2ccccc2)[C@@H](c2nc(C)no2)C1 245108389 SVCQWHHNJFGMMD-KBPBESRZSA-N 344.371 1.444 0 40 EDAB COCCCN1CCC[C@]2(CCCN(C(=O)c3cncnc3)C2)C1 2056223486 NVIWCKJFXODRCO-SFHVURJKSA-N 332.448 1.831 0 40 EDAB 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PGHLGCCVHAKVPE-ZDUSSCGKSA-N 329.466 1.349 0 40 EDAB O=S(=O)(NCCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccs1 97034768 QQBHMLIHRMLHKU-YUTCNCBUSA-N 342.486 1.574 0 40 EDAB Cn1cc(C(N)=O)cc1C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 97084333 CAVFEKWZPDREDD-MRXNPFEDSA-N 341.411 1.945 0 40 EDAB O=C(CCc1c(F)cccc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269622 FTLCGIKHGYAPNS-IAGOWNOFSA-N 338.398 1.955 0 40 EDAB CNC(=O)COc1ccccc1CNC[C@H]1CCCn2cc(C)nc21 84257822 QXWUIWJLOIBOJN-MRXNPFEDSA-N 342.443 1.984 0 40 EDAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(C)n[nH]2)cc1OC 72330826 LUJKOSWHCDOVCM-FNORWQNLSA-N 345.355 1.930 0 40 EDAB CCCn1nc2c(cc1=O)CN([C@H](C(N)=O)c1ccc(F)cc1)CC2 72302282 VPKZKRXMSKLQBL-KRWDZBQOSA-N 344.390 1.377 0 40 EDAB Cn1ccc(NC(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 84321634 RWJAXQXJRRJOCR-CVEARBPZSA-N 341.415 1.537 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N[C@@H](c2ccn(C)c2)C(F)(F)F)c1C 95450606 HYBFMBROSZXMKU-LBPRGKRZSA-N 342.321 1.769 0 40 EDAB Cc1cnc(CNC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)s1 95428271 BKTZOXHRHWWDFP-TZMCWYRMSA-N 349.460 1.840 0 40 EDAB Cc1nnc(CN(C)CC(=O)NC(C)(C)c2ccc(F)cc2)n1C 73379386 JTWZSYPWQIVLAH-UHFFFAOYSA-N 333.411 1.746 0 40 EDAB Cn1cc(N2CCC[C@@H](Nc3ccc4c(c3)NC(=O)CC4)C2=O)cn1 98014374 KQKSEERGORTKQJ-OAHLLOKOSA-N 339.399 1.912 0 40 EDAB CC(=O)N1CCN(C(=O)CN[C@@H](C)C(C)(C)c2ccccc2)CC1 95984740 HZCLGZVQYPCGNV-HNNXBMFYSA-N 331.460 1.633 0 40 EDAB Cc1ccc(Br)c(NC(=O)C(=O)NCC(C)(C)CO)c1 95976944 GHLUSEFFNBZNSI-UHFFFAOYSA-N 343.221 1.831 0 40 EDAB O=C(O)C[C@H](NCc1ccco1)C(=O)Nc1ccccc1C(=O)O 9957048 CBZIBEWXUFRPOZ-ZDUSSCGKSA-N 332.312 1.549 0 40 EDAB COCCNC(=O)CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 89414628 WWUDCOOYYDXGKY-IRXDYDNUSA-N 326.396 1.822 0 40 EDAB CCC[C@@H](C)N1C[C@@H](C(=O)N2CCC(c3nncn3C)CC2)CC1=O 75120928 RFLIYDZQHLOWKX-HIFRSBDPSA-N 347.463 1.558 0 40 EDAB Cc1ccc(-n2nnc(CC(=O)N3CCN(C)C[C@@H]3C)c2C)cc1 89642694 QTYFPPNJNXOPJT-AWEZNQCLSA-N 327.432 1.589 0 40 EDAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCN(Cc2ccco2)CC1 89797762 KDSGVOLZGODCOR-UHFFFAOYSA-N 327.384 1.415 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C12CCC2 89985969 WIBUOEIOKCSZPD-CHWSQXEVSA-N 329.404 1.819 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 67201783 MXWHONCBXCKDAA-STQMWFEESA-N 337.424 1.572 0 40 EDAB O=C(OCc1ccccc1)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 521399716 JOTRMGVYFFCCOV-CVEARBPZSA-N 345.399 1.580 0 40 EDAB CC(C)[C@@H](CNC(=O)NC[C@H]1CN(C)CCN1C)c1ccccc1 78924895 ZEVXZVOBTBILDE-ZWKOTPCHSA-N 332.492 1.971 0 40 EDAB C[C@H]1Cc2cc([C@@H](O)CN3CCN(c4ncccn4)CC3)ccc2O1 36741407 ORARILZAFONWNR-YOEHRIQHSA-N 340.427 1.656 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CCS(=O)(=O)C1 32784497 ACXJVGXVKGQYBB-AWEZNQCLSA-N 341.477 1.392 0 40 EDAB O=C(NCC1CCN(CC(F)(F)F)CC1)N[C@@H]1C=C[C@H](CO)C1 189110515 YYIKEPHGUIPKPT-QWHCGFSZSA-N 335.370 1.497 0 40 EDAB Cc1cc(C)cc(OCC(=O)Nc2[nH]nnc2C(=O)N2CCCC2)c1 560683459 AHCPLUBXOYVRDE-UHFFFAOYSA-N 343.387 1.675 0 40 EDAB COc1ncccc1C(=O)N1CC[C@@](C(=O)O)(c2ccccc2)C1 565031240 AVCJZEIIUNFYPV-SFHVURJKSA-N 326.352 1.959 0 40 EDAB COC(=O)[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1c1ccccc1F 72346701 QBYNRJOVLYFJTO-KGLIPLIRSA-N 348.374 1.163 0 40 EDAB CC(=O)c1ccc(NC(=O)C[C@@H]2Cn3nc(C)nc3NC2=O)cc1 40386797 QSDZSHJLQYLASN-GFCCVEGCSA-N 327.344 1.386 0 40 EDAB COCCN(Cc1cccnc1)C(=O)c1[nH]ncc1Br 76988990 KZYGIUHIVRYTIZ-UHFFFAOYSA-N 339.193 1.856 0 40 EDAB CCOc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1OCC 48374820 OZQVOUZYVUPCPT-UHFFFAOYSA-N 349.387 1.753 0 40 EDAB CCOC(=O)COc1ccc(NC(=O)C2(C)COC(=O)OC2)cc1 225913762 MLLUOZCVQPCWNO-UHFFFAOYSA-N 337.328 1.740 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)c1nnc2ccc(Cl)cc2n1 46088531 WMKQQDFJJPDUFK-UHFFFAOYSA-N 330.779 1.959 0 40 EDAB CC(C)N1CCO[C@H](C(=O)NC2CCN(Cc3cccnc3)CC2)C1 225559683 DTCYNCJDYFLVLD-SFHVURJKSA-N 346.475 1.271 0 40 EDAB CN(CCCN1C(=O)CNC1=O)[C@@H]1CCCN(c2ccccc2)C1 81014033 GOZYTANQUSYAPA-MRXNPFEDSA-N 330.432 1.529 0 40 EDAB Cc1cc(C)c(CNC(=O)c2cn(Cc3ccccc3)nn2)c(=O)[nH]1 40039694 AVIMOOCFQNHMNB-UHFFFAOYSA-N 337.383 1.562 0 40 EDAB CC(C)NC(=O)N1CCN(Cc2ccco2)C[C@]2(CC(=O)N(C)C2)C1 96036088 VQOQFPZXOCBJAY-GOSISDBHSA-N 348.447 1.364 0 40 EDAB COc1ncnc2c1CN(C[C@H](O)COc1ccccc1C)CC2 97202072 MIVKRWRXJMROCF-AWEZNQCLSA-N 329.400 1.592 0 40 EDAB CS(=O)(=O)N[C@H]1CC2(CCN(CCF)CC2)Oc2ccccc21 96242738 IFBGJMVAUHQJRQ-AWEZNQCLSA-N 342.436 1.864 0 40 EDAB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2c(nc3ccccn3c2=O)O1 96230750 MVSWMVKLCYHJND-GFCCVEGCSA-N 336.303 1.834 0 40 EDAB C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N(C)Cc1ccc(F)cc1Cl 97235091 CWGOGBSKRMYZNQ-LKFCYVNXSA-N 342.798 1.713 0 40 EDAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(C(=O)c4ccc(F)cc4)CC[C@@H]23)n1 96206597 VOHCDGDXQIYAFY-BMFZPTHFSA-N 344.390 1.972 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)N1CCCC1)C2 96039576 SUNSPRBBPFXWNN-WMZOPIPTSA-N 339.480 1.652 0 40 EDAB CCc1nnnn1-c1ccccc1NC(=O)NCc1cc(C)on1 96446014 FDVAFCLJUYDOPE-UHFFFAOYSA-N 327.348 1.843 0 40 EDAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc([C@H]2CCCO2)nn1C 333057783 RUKAENPKDUXQFD-WCQYABFASA-N 345.407 1.828 0 40 EDAB C[C@H]1CN(Cc2cnn(C)c2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 96061282 UFPFKMOGXWDTCA-POZUXBRTSA-N 346.475 1.706 0 40 EDAB C[C@H]1c2ncc(COc3cccnc3)n2CCN1S(=O)(=O)C1CC1 96109849 WAHJXPHOKKTBQO-LBPRGKRZSA-N 348.428 1.726 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 96057975 NFWJDOVLMALGCH-USXIJHARSA-N 327.384 1.871 0 40 EDAB O=C(NC1CCC1)C1=NO[C@]2(CCN(C(=O)c3ccccn3)C2)C1 96225563 ZNCYDDVBPAXFFG-QGZVFWFLSA-N 328.372 1.111 0 40 EDAB COC[C@H]1CN(S(=O)(=O)c2cccs2)Cc2ccnn2C1 96067228 NVJGWENKERYLIW-NSHDSACASA-N 327.431 1.412 0 40 EDAB CC(=O)N[C@@H](C)C(=O)NC[C@H](C)Oc1cccc(Br)c1 96431861 UCRDDPWTMUABAC-UWVGGRQHSA-N 343.221 1.857 0 40 EDAB O=C(c1cc(Br)c[nH]1)N1CCC[C@](O)(c2cnn[nH]2)C1 583617771 QTPYGANEPJIXSW-GFCCVEGCSA-N 340.181 1.019 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2cnn(C)c2)cc1 583616179 SFCDCQJNTVUTKW-AEFFLSMTSA-N 329.400 1.941 0 40 EDAB CCc1ncnc(N2CCN([C@H](C)C(=O)N3CCCCC3)CC2)c1F 96489033 VSRNSYIOPYSJMQ-CQSZACIVSA-N 349.454 1.701 0 40 EDAB O=C(/C=C\c1ccccc1F)NCCn1nnc2ccccc2c1=O 244983912 IXKGYRWPEGXIPB-UHFFFAOYSA-N 338.342 1.760 0 40 EDAB CC(C)N1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1C(N)=O 257249578 JIZBUFABMINMCH-INIZCTEOSA-N 328.416 1.117 0 40 EDAB CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1cc(=O)c2ccccc2n1C 585089386 JEFPKHOEHFAZQM-NWDGAFQWSA-N 330.384 1.856 0 40 EDAB Cc1ccnc([C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nc3)C2)n1 257327231 XAOJUYCSGGXYCU-OAHLLOKOSA-N 334.383 1.995 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](c2cc(-n3ccnc3)ccn2)C1 257245939 IRUHAZDOSOKXED-ZDUSSCGKSA-N 335.433 1.253 0 40 EDAB CN(C)C[C@H]1COC2(CCCC2)CN1Cc1nnnn1C(C)(C)C 585116178 JTOSQBYTAGQAGG-AWEZNQCLSA-N 336.484 1.503 0 40 EDAB CN(c1ccn(C)n1)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 585115848 VWBNQTAGTSPLQF-FQEVSTJZSA-N 328.419 1.258 0 40 EDAB CN(C)S(=O)(=O)c1cnn(Cc2cc(O)cc(C(F)(F)F)c2)c1 585118933 IZJCSFNLTYVIHG-UHFFFAOYSA-N 349.334 1.906 0 40 EDAB CCOc1ncccc1C(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257274380 NKUXEIULJKISKC-BZUAXINKSA-N 333.432 1.540 0 40 EDAB COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1cc(C)c(C)s1 252510118 ZBUYRCVEPDFARQ-PSASIEDQSA-N 333.431 1.622 0 40 EDAB C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C1CCOCC1 253591870 RARCTNOWGHNUOX-ZDUSSCGKSA-N 332.448 1.507 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)Cn1ccnc1 257243666 IHZKBMLWVCCKBE-MRXNPFEDSA-N 342.399 1.324 0 40 EDAB CC(C)S(=O)(=O)N1CC[C@@](O)(CN(C)Cc2ccc(F)cc2)C1 257268724 MMXBAFFBOCBVRH-MRXNPFEDSA-N 344.452 1.433 0 40 EDAB Cn1cc([C@@H]2CN(C(=O)NCc3cn4ccccc4n3)CCO2)cn1 267628960 PZBRVVQZYVRPCU-HNNXBMFYSA-N 340.387 1.351 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 602919004 YKLJVOFJUSOAQP-WQHBLYJGSA-N 343.786 1.743 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3cnc(CO)cn3)CC2)cc1F 1615057111 VSWGHBLUPVLFEM-UHFFFAOYSA-N 330.363 1.379 0 40 EDAB CN(C1CCCC1)S(=O)(=O)N1CCC[C@H]1c1nccc(O)n1 1615549298 MPMNEDGDHGGTBS-LBPRGKRZSA-N 326.422 1.438 0 40 EDAB CS(=O)(=O)C1(C(=O)NC[C@H]2OCCc3sc(F)cc32)CCC1 1615578533 YEAJAPRNELGHDZ-SNVBAGLBSA-N 347.433 1.585 0 40 EDAB O=C(COc1ccc(Oc2ccccn2)cc1)NOCCOCCO 1615549106 KKXJNTVSQHRHGI-UHFFFAOYSA-N 348.355 1.309 0 40 EDAB Cc1cccc(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)n1 390826872 QKXZTGHQASBEHT-UHFFFAOYSA-N 335.371 1.441 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575406516 YDSHXMNCNBVICP-ZDUSSCGKSA-N 326.418 1.432 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CC(F)(F)C2)C1 585095662 AJRPZJLDQRXWRI-GFCCVEGCSA-N 326.347 1.434 0 40 EDAB O=C1CCCN1CC[C@H]1CN(Cc2ccncc2)Cc2ccnn21 585112769 WCVUWPNHALQGOI-KRWDZBQOSA-N 325.416 1.848 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1Cc1cnn2c(C)cc(C)nc12 585279785 YKAVARQFDTZVMJ-KRWDZBQOSA-N 331.420 1.203 0 40 EDAB CC(=O)Nc1nc([C@H]2CCCN2CC(=O)Nc2ccn(C)n2)cs1 585273592 XCLYXSXGIAFOQH-GFCCVEGCSA-N 348.432 1.611 0 40 EDAB CCn1c2c(ccc1=O)C[C@H](NC(=O)CCc1cncnc1)CC2 585110609 HPPBWDOPSTXSPL-OAHLLOKOSA-N 326.400 1.265 0 40 EDAB C[C@@H]1CN(S(=O)(=O)CCNCc2c(F)cccc2F)C[C@@H](C)O1 48783349 RKMFYUUCUQMEII-VXGBXAGGSA-N 348.415 1.493 0 40 EDAB Cc1ccc(C[C@@H]2CCCN(C(=O)CCNS(C)(=O)=O)C2)cc1 50769896 AEVYXDBLKKYEFI-INIZCTEOSA-N 338.473 1.715 0 40 EDAB Cc1ccc(OC2CCN(CC(=O)N3CCNC3=O)CC2)cc1C 53016265 WCKNDOXJQQZRMZ-UHFFFAOYSA-N 331.416 1.698 0 40 EDAB CN(C)C(=O)CCNC(=O)NCCOc1cccc2ccccc12 56960703 LSHTWOXSJNBCQE-UHFFFAOYSA-N 329.400 1.996 0 40 EDAB CCN1CCN(CCCNC(=O)c2cc(Cl)ccc2O)CC1 58161968 LENUHWQGMPMJCP-UHFFFAOYSA-N 325.840 1.803 0 40 EDAB CC[C@@](C)(NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)C(=O)OC 69451209 GXTYNEWYTVDTGI-OAHLLOKOSA-N 342.417 1.438 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 69421164 PIPYOUQEUOVSLY-NSHDSACASA-N 344.415 1.699 0 40 EDAB CCn1ccnc1CN1CCN(C[C@H](O)c2cccc(F)c2)CC1 69441357 SSFUNJWBAZUJRP-KRWDZBQOSA-N 332.423 1.893 0 40 EDAB CN(C)C(C)(C)CNC(=O)C(C)(C)n1cc(Br)cn1 69487307 KHVSXFFMCZJMPV-UHFFFAOYSA-N 331.258 1.837 0 40 EDAB C[C@@H](SCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1F 69813283 HGHMKXOPDDMDMF-GHMZBOCLSA-N 331.434 1.923 0 40 EDAB CO[C@@H](C(=O)N1CCCN(Cc2nccn2C)CC1)c1ccccc1 69946813 AHUHAGBMXQOGBO-GOSISDBHSA-N 342.443 1.842 0 40 EDAB O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc2c(c1)CCC2 71846745 WHWYYAANAVJILX-HZPDHXFCSA-N 336.457 1.317 0 40 EDAB CCO[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 79936779 MNLRZBLFUZZLQA-HOTGVXAUSA-N 334.391 1.925 0 40 EDAB Cc1nc(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nc2)no1 85436348 ZRABIERGFNTPEK-UHFFFAOYSA-N 349.416 1.054 0 40 EDAB COc1ccccc1C1(Cn2nnnc2N(C)C[C@@H]2CCOC2)CC1 1616035900 BEBQILZIROHYCZ-AWEZNQCLSA-N 343.431 1.886 0 40 EDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccc(F)cc2)nn1 1549163037 ZRBFGGIBJFZGJE-ZMSDIMECSA-N 348.422 1.633 0 40 EDAB O=C1[C@H]2CCCN2S(=O)(=O)c2ccccc2N1Cc1cccnc1 12113159 PHFLHXSTVZXZOX-OAHLLOKOSA-N 343.408 1.782 0 40 EDAB COCC(=O)N[C@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 12326258 KIJCSEWYWZKMNI-KBXCAEBGSA-N 332.400 1.654 0 40 EDAB COc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 12928267 ZROZLHCOQWLCAM-UHFFFAOYSA-N 348.424 1.712 0 40 EDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)n2nccc2C)c1 17070887 MJTIQVJXBMERKF-NSHDSACASA-N 337.401 1.890 0 40 EDAB CCN1CCN(C2=C(Cl)C(=O)N(c3ccccc3OC)C2=O)CC1 19358645 INANYHZMZMTDMO-UHFFFAOYSA-N 349.818 1.656 0 40 EDAB Cc1nn(C)cc1C(=O)Nc1cnn(CC(=O)N2CCCCC2)c1 19746141 DGQHYTHJFHOBTR-UHFFFAOYSA-N 330.392 1.190 0 40 EDAB CCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935167 CGKWTMDAKFHMNG-UHFFFAOYSA-N 346.836 1.639 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccnc3ncnn23)cc1 19211442 JOTHZAZMADGQHN-CQSZACIVSA-N 343.412 1.959 0 40 EDAB CCc1nc(N2C[C@H]3CN(C(=O)[C@@H]4CC4(C)C)C[C@H]3C2)nc(O)c1F 1888850319 OQUVETIVVBCNDC-TUAOUCFPSA-N 348.422 1.824 0 40 EDAB O=C(NCC1(O)CSCCSC1)C(=O)Nc1cccc(F)c1 1888926429 ACKBKBDGULBVQP-UHFFFAOYSA-N 344.433 1.092 0 40 EDAB Cc1noc(CN2CCN(c3ccc(-c4ccco4)nn3)CC2)n1 1888928831 WEBHQGUNSQEVHC-UHFFFAOYSA-N 326.360 1.750 0 40 EDAB NC(=O)c1cc(OC2CN(c3ncnc4c3CCCC4)C2)ccn1 1889091886 AJASMDNFGAZJMR-UHFFFAOYSA-N 325.372 1.117 0 40 EDAB CN1CCCC[C@@]2(CN(C(=O)CCc3ccccc3F)CCO2)C1=O 2037985738 USENWLHPDPMQTF-LJQANCHMSA-N 348.418 1.998 0 40 EDAB Cc1cnc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)nc1 2086968304 OCJOERATYPSZPZ-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB Cc1cc(N2C[C@@H]3CN(C(=O)[C@@H](C)n4cccn4)C[C@H]3C2)ncn1 2087132262 FKQZILHVEFBUEO-RBSFLKMASA-N 326.404 1.137 0 40 EDAB O=C(N1CC[C@@H]2CN(C3CCOCC3)CCO[C@@H]2C1)C1(F)CCC1 1565544802 RQGDVYZVDOVDJT-GDBMZVCRSA-N 340.439 1.607 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCCO2 114394 OLRVECSZLKJCGC-UHFFFAOYSA-N 338.319 1.693 0 40 EDAB O[C@@H]1CCN(Cc2noc3c2C[C@@H](NCc2ccccn2)CC3)C1 2055734494 BQHKDUANJYKEMC-DZGCQCFKSA-N 328.416 1.283 0 40 EDAB Cc1ncsc1CN1CCC(C(=O)N(C)C)(n2ccnc2)CC1 2055713227 INZZTYPVGXYMMF-UHFFFAOYSA-N 333.461 1.728 0 40 EDAB Cc1nsc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086875532 XTDNPRJTWMQUFP-SNVBAGLBSA-N 332.376 1.309 0 40 EDAB CCCc1cc(O)nc(-n2nc(C)cc2NC(=O)c2cnccn2)n1 38741246 HTFOLBVXWCOYKK-UHFFFAOYSA-N 339.359 1.671 0 40 EDAB COc1nc(CNC(=O)Cc2cn(C)c3ccccc23)nc(OC)n1 575608747 YBOFMYVSNONUAQ-UHFFFAOYSA-N 341.371 1.239 0 40 EDAB Cc1ccc(NC(=O)NCc2nc(N(C)C)nc(N(C)C)n2)cc1F 575605631 CLEMONZSNFAUGV-UHFFFAOYSA-N 347.398 1.773 0 40 EDAB CCOc1ccccc1CCC(=O)N1CC(N2C(=O)[C@H]3C[C@@H]3C2=O)C1 585388332 VQUIXIAXXZFANB-GJZGRUSLSA-N 342.395 1.234 0 40 EDAB CCCn1c(S[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)n[nH]c1=O 10438673 MLYRVIHEZQAEQL-TUAOUCFPSA-N 326.466 1.967 0 40 EDAB Cc1cccc(-n2ncc3c(N4CCN(CCO)CC4)ncnc32)c1 20150058 FZJHGFSWZSSOJV-UHFFFAOYSA-N 338.415 1.238 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(CCOc3ccc(F)cc3)C2=O)cn1 101404018 IEHAWDHTMUOZOE-ZDUSSCGKSA-N 331.347 1.556 0 40 EDAB C[n+]1cn(C[C@@H](O)COc2ccc(C(=O)O)cc2)c2ccccc21 316307 JMIBGBZWYUFBIA-CQSZACIVSA-O 327.360 1.604 0 40 EDAB Cc1cccc(CN2CCN(C(=O)CN(C)c3cnccn3)CC2)c1 32700904 MMGJSWDGTWIAAK-UHFFFAOYSA-N 339.443 1.566 0 40 EDAB Cc1nn(C)c2ncc(C(=O)Nc3ccc(OCC(N)=O)cc3)cc12 32769403 BFJSWHIJDBTKGJ-UHFFFAOYSA-N 339.355 1.393 0 40 EDAB Cc1noc(C)c1CC(=O)OCc1cc(=O)n2c(C)cccc2n1 21492533 ZGMGYSPIDNGMFJ-UHFFFAOYSA-N 327.340 1.894 0 40 EDAB COCCNC(=O)CSc1nnc2c3ccccc3n(C)c2n1 4856238 NCUMHBRSGGXOHY-UHFFFAOYSA-N 331.401 1.371 0 40 EDAB COCCCNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 6217594 KBHNUYOBXCMHLZ-UHFFFAOYSA-N 328.434 1.222 0 40 EDAB COCCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccon2)c1 6681464 WTYSQUNDWNPBPE-UHFFFAOYSA-N 345.402 1.255 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 6934238 ZOQVALLMDCZWFS-WDEREUQCSA-N 344.433 1.285 0 40 EDAB CCc1cnc(CCNC(=O)N2CCS(=O)(=O)C[C@H]2C)s1 75811141 CRJYMDMOVFKSTR-SNVBAGLBSA-N 331.463 1.077 0 40 EDAB COC(=O)c1cccc(CS(=O)(=O)NCCN2CCCCC2)c1 69814608 NNULBATXZICYFE-UHFFFAOYSA-N 340.445 1.379 0 40 EDAB c1ccc(-c2nc(CN3CCO[C@H](Cn4cncn4)C3)co2)cc1 69810508 WSMDXIFLVWGGET-INIZCTEOSA-N 325.372 1.834 0 40 EDAB CN(C)C[C@H]1CN(CC(=O)N(Cc2ccccc2F)C2CC2)CCO1 69818914 YKQGRGZPXODFNX-KRWDZBQOSA-N 349.450 1.579 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)c1cnoc1C)CC2 108533397 FBHLNFWUBUJIBB-UHFFFAOYSA-N 335.404 1.474 0 40 EDAB Cn1ncc2c(N[C@@H](CN3CCOCC3)c3ccccc3)ncnc21 12486563 SXKPGERTPZFGME-INIZCTEOSA-N 338.415 1.849 0 40 EDAB Cc1ccc([C@H](CNc2ncnc3[nH]cnc23)N2CCOCC2)o1 47509937 VMQGWDHUYJTIFS-LBPRGKRZSA-N 328.376 1.740 0 40 EDAB CC(C)c1cc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)n[nH]1 53352273 QGGQQZDXCJXBNO-UHFFFAOYSA-N 341.415 1.963 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccc(F)cc1Cl 53338915 YCSXJILEMRDMHL-UWVGGRQHSA-N 328.771 1.970 0 40 EDAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1 22408565 XDTFSNKVUYFHDV-UHFFFAOYSA-N 346.817 1.939 0 40 EDAB Cc1cc(NC(=O)[C@H](C)SCC(=O)NCC(C)(C)N(C)C)no1 42158860 UIKSQWOOECMLSA-NSHDSACASA-N 342.465 1.500 0 40 EDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 27976337 WTXNVWSLIXUVNV-UPJWGTAASA-N 331.376 1.065 0 40 EDAB Cc1ccc(CCNC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cn1 76094002 DADJSGGPCQVAKE-INIZCTEOSA-N 327.432 1.940 0 40 EDAB CCN(CC)C(=O)N1CCN(c2ccc(-n3ccc(C)n3)nn2)CC1 77927689 WNIOIWQLYLGSEL-UHFFFAOYSA-N 343.435 1.555 0 40 EDAB O=C(CCc1ccc(OC(F)(F)F)cc1)N1CCN(CCO)CC1 78783406 VCXZRSQKZHKYJI-UHFFFAOYSA-N 346.349 1.654 0 40 EDAB CCOc1ccc(N2C(=O)[C@H](CCSC)NC2=S)cc1CO 55180224 LYPLAGVYXNKWNC-LBPRGKRZSA-N 340.470 1.920 0 40 EDAB COc1ccccc1CC(=O)NS(=O)(=O)N1CCc2ccccc21 105769627 ATCKOHDRDDULFJ-UHFFFAOYSA-N 346.408 1.661 0 40 EDAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)C1=COCCO1 24651742 ZMMWBHHLUOJALH-UHFFFAOYSA-N 330.384 1.817 0 40 EDAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@H](C(N)=O)C2)C1 106829760 CCNZNUJKXUFRML-VNQPRFMTSA-N 330.432 1.339 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1N[C@H](C)c1nc(C)no1 107142284 MIJPCQLXVRYWSG-BNOWGMLFSA-N 344.481 1.867 0 40 EDAB O=C([C@@H]1Cc2ccccc2O1)N1CCN(Cc2cscn2)CC1 56249841 LPHZEWGOPAEACR-INIZCTEOSA-N 329.425 1.791 0 40 EDAB CN1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@H]1c1ccc(Cl)c(F)c1 107536155 ZJAPYASBSCMIMC-UMVBOHGHSA-N 339.798 1.619 0 40 EDAB CNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1 44866486 MTBCYJBNIOBRPJ-WCQYABFASA-N 340.445 1.912 0 40 EDAB CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 58245223 YLAPJVSVVMRKDV-NSHDSACASA-N 330.837 1.829 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)OCCO2 58245693 WSERAVUGNZYWKM-AWEZNQCLSA-N 326.352 1.284 0 40 EDAB NC(=O)c1ccc(CN2CCC(C(=O)NCc3ccco3)CC2)cc1 58296624 ZHVYAFGVYSINAR-UHFFFAOYSA-N 341.411 1.907 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 44909213 QIKGNYDEOLOEHI-UHFFFAOYSA-N 345.321 1.717 0 40 EDAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 58341351 FPALAHVOIWLDCA-DIFFPNOSSA-N 335.379 1.898 0 40 EDAB O=C(CN1CCN(C(=O)c2cn[nH]c2)CC1)Nc1ccccc1Cl 36394926 USLZZHNJIPWDRB-UHFFFAOYSA-N 347.806 1.460 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2cnc(-c3cnccn3)s2)CC1 69966600 PJBXYAKMSYRLST-UHFFFAOYSA-N 347.444 1.129 0 40 EDAB O=S1(=O)CC[C@H](NCc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 48686433 LQSCSRVFDSUAIU-LBPRGKRZSA-N 335.385 1.082 0 40 EDAB CCCOc1ccc(Oc2nc(N(C)C)nc(N3CCCC3)n2)nn1 5016898 VYVQVEHNOKODOE-UHFFFAOYSA-N 345.407 1.909 0 40 EDAB CCCn1c(SCC(=O)N2CCc3ccccc3C2)n[nH]c1=O 8924511 MLQZZHGTXCFUJD-UHFFFAOYSA-N 332.429 1.658 0 40 EDAB Cc1cc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl 4392082 SSFSAMXXSFVVNT-NSHDSACASA-N 331.821 1.639 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(C[C@@H](O)COc2ccccc2F)C1=O 65399436 UTNXRIOVDQMXLB-PIGZYNQJSA-N 348.330 1.626 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408600785 CKVRETOTJMHCSD-ZDUSSCGKSA-N 340.445 1.544 0 40 EDAB O=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1 65552261 MLHSPGBSPRTUDJ-ZDUSSCGKSA-N 344.433 1.416 0 40 EDAB Cc1ccc(CC(=O)N2CCN(Cn3ncn(C)c3=S)CC2)cc1 65603972 XDLSDNRPVGWVEM-UHFFFAOYSA-N 345.472 1.604 0 40 EDAB C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12C=C[C@@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O 4544908 IXORZMNAPKEEDV-XAJGXBPMSA-N 346.379 1.027 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)c(=O)[nH]1 14201622 YFXMXMNHDHYHOM-OAHLLOKOSA-N 326.352 1.390 0 40 EDAB CCc1ccc(OC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1 14244787 QQIYDFIEVZGQAL-CQSZACIVSA-N 332.400 1.853 0 40 EDAB C/C(NC[C@H]1CCCO1)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 5816533 VEDPHCVXJAYFNP-KECPUOCWSA-N 335.404 1.440 0 40 EDAB CC(=O)NCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 67118298 XPGOEMDDFZWEQO-UHFFFAOYSA-N 325.217 1.549 0 40 EDAB Cc1cnn(CC2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)c1 71877037 JCTYYSHLVSSTFX-QZTJIDSGSA-N 337.464 1.460 0 40 EDAB COCCc1noc(CN2CCC(O)(c3ccc(C)cn3)CC2)n1 67805373 IYEXKGSYDFUBJG-UHFFFAOYSA-N 332.404 1.446 0 40 EDAB Cc1c[nH]c(CN2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1 67934599 BSMPDBNQSJMARS-AWEZNQCLSA-N 338.415 1.972 0 40 EDAB CCC(=O)NCC(=O)Nc1ccc([C@@]2(CC)CCC(=O)NC2=O)cc1 68117584 VFSIOOPRWKKONG-GOSISDBHSA-N 345.399 1.236 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 16050724 WEGZLQROMFCINS-UHFFFAOYSA-N 349.412 1.658 0 40 EDAB NC1=Nc2nc3cc4c(cc3n2C2(CCSCC2)N1)OCCCO4 7738307 URRZVBNIMMHWGM-UHFFFAOYSA-N 345.428 1.927 0 40 EDAB CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)NC(C)C 7789864 PUEZLVCHCYPBTK-UHFFFAOYSA-N 325.840 1.803 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(-n2cnnn2)c1 7981627 SBGURNGZSFTWEP-UHFFFAOYSA-N 337.265 1.516 0 40 EDAB CNC(=O)NC(=O)CNc1ccccc1C(=O)NCc1ccco1 9337117 ACNPQXXASHDASJ-UHFFFAOYSA-N 330.344 1.077 0 40 EDAB CCC[C@@H](C)NC(=O)CSc1nnc(N2CCOCC2)n1CC 8229916 HXLWUESEMBIEGI-GFCCVEGCSA-N 341.481 1.532 0 40 EDAB Cc1cc(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)on1 8256394 WFXONNMBLZBPGC-JTQLQIEISA-N 329.312 1.514 0 40 EDAB CC(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3cnn(C)c3)cc21 70014169 OUHGIFVCPBUOJQ-UHFFFAOYSA-N 348.428 1.150 0 40 EDAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2cnccn2)CC1 69484237 NEBDKYRTPKXWOD-MRXNPFEDSA-N 330.363 1.652 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N2CCCC[C@@H]2CC(N)=O)cc1 69452455 BCZQDJAWHWSEQP-JOZWUWCOSA-N 329.400 1.316 0 40 EDAB C[C@H]1CN(Cc2nc3ccccc3o2)CCN1c1ccc2nncn2n1 69571706 YFSYCOSGAFURQZ-ZDUSSCGKSA-N 349.398 1.976 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCC(Nc2cccnn2)CC1 69655474 HNKJPSTWZKKRDG-UHFFFAOYSA-N 340.383 1.965 0 40 EDAB CCc1ccc(N2C[C@H](C(=O)N[C@@H]3CCSC3=O)CC2=O)cc1 9426624 WELPTIJBPBTBAF-TZMCWYRMSA-N 332.425 1.750 0 40 EDAB CCOc1ccccc1NC(=O)Cn1nc2n(c1=O)CCCCC2 9450508 BMBPADOAKDQKSS-UHFFFAOYSA-N 330.388 1.809 0 40 EDAB Cn1cc(CN2CC[C@H](Oc3ccccc3Cl)C2)c(=O)n(C)c1=O 93838519 WXVNFLJTLCTRAS-ZDUSSCGKSA-N 349.818 1.391 0 40 EDAB CN1CCN(c2ccc(CNC(=O)NC3CCCCC3)cn2)CC1 71793352 DSUIYYIUYNCWOK-UHFFFAOYSA-N 331.464 1.965 0 40 EDAB CNS(=O)(=O)CC(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C 83609252 LIQCNDDPIXZNMK-ZWNOBZJWSA-N 346.836 1.178 0 40 EDAB O=C(NCCN1CCCS1(=O)=O)[C@H]1CCCC[C@H]1C(F)(F)F 84137218 OMXLXOVRYKHDEP-WDEREUQCSA-N 342.383 1.507 0 40 EDAB C[C@@H]1CC(C)(C)[C@H](CNC(=O)c2ccon2)[C@@H]1NC(=O)c1ccon1 97002148 BKLUWVDMCLJMQS-JTNHKYCSSA-N 346.387 1.873 0 40 EDAB CNC(=O)Cn1cnc(NC(=O)c2ccc(Br)s2)n1 72296988 XIOXWBWEDQPCDT-UHFFFAOYSA-N 344.194 1.100 0 40 EDAB COc1cccc(CNC(=O)CN2CCC[C@H](c3noc(C)n3)C2)c1 72279286 VUJVPLZUWWWJII-HNNXBMFYSA-N 344.415 1.882 0 40 EDAB c1cc(-c2nc3c(c(NCCCn4ccnc4)n2)CCNCC3)ccn1 72429383 COPKKEIWYCNDRB-UHFFFAOYSA-N 349.442 1.926 0 40 EDAB O=C([C@H]1CCCN1c1ccc(Br)cn1)N1CCOCC1 84425374 MPOFTKIVJMKMPW-GFCCVEGCSA-N 340.221 1.672 0 40 EDAB CC(C)[C@@H](NC(=O)N[C@H]1CCN(CC2CC2)C1)c1nnc2n1CCC2 95394110 BSHNIMRNJKAQTK-GOEBONIOSA-N 346.479 1.705 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)ccc1=O 84759108 CWNJMLYHYQTFBF-CYBMUJFWSA-N 329.404 1.705 0 40 EDAB CCOc1ccccc1N1CCN(C[C@@H](C)CS(C)(=O)=O)CC1 95411612 OWDAEZWPRDNQDR-OAHLLOKOSA-N 340.489 1.888 0 40 EDAB Nc1ccnc(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)n1 95986374 PHSILWLCPIAJPP-OAHLLOKOSA-N 325.416 1.730 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N(C)C[C@@H](C)c1nnn[nH]1 95941932 OCVFPEBZVDPPCO-SECBINFHSA-N 329.813 1.586 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1F 95994976 HUBBEVGYZYHJHM-ZDUSSCGKSA-N 338.408 1.827 0 40 EDAB Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@@H](S(=O)(=O)NC2CC2)C1 95979455 AMNYNYNLGPORIT-GFCCVEGCSA-N 340.449 1.138 0 40 EDAB Cc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3cnn(C)c3)c12 75110630 APLKEGXBYIPVGY-UHFFFAOYSA-N 325.372 1.507 0 40 EDAB Cc1cccc(C)c1-n1nnnc1CN1CCN(C[C@@H](C)O)[C@H](C)C1 89688896 WOIMHQWKOAFJBK-HZPDHXFCSA-N 344.463 1.166 0 40 EDAB CC(C)[C@H](NC(=O)CSCc1nc(N)nc(N)n1)c1ccccc1 89801763 KTIOVAWWMPHHOC-AWEZNQCLSA-N 346.460 1.783 0 40 EDAB CCCOCc1ccccc1CNC(=O)CN1CCN(C)C[C@@H]1C 89960251 MSYCBFMOAZVNGU-INIZCTEOSA-N 333.476 1.865 0 40 EDAB COc1ccc(-c2noc(CCC(=O)N3CCN(C)CC3)n2)cc1 20502177 ZPNQUHVMHVNRCK-UHFFFAOYSA-N 330.388 1.452 0 40 EDAB CN(C)c1cccc(C(=O)N[C@H]2CCCN(Cc3nncn3C)C2)c1 1009328891 QEWFYWRYKLCTOW-HNNXBMFYSA-N 342.447 1.276 0 40 EDAB C[C@H](C(=O)O)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 517564787 IBWDCCPNPNMAFY-GXTWGEPZSA-N 333.388 1.910 0 40 EDAB CN(CC(=O)Nc1ccccc1C(=O)O)S(=O)(=O)c1ccoc1 551998750 UUODMZIXAFQKLT-UHFFFAOYSA-N 338.341 1.237 0 40 EDAB COc1cccc(NC(=O)NCc2nccc(N3CCOCC3)n2)c1 211096504 OJGLEWXZOXHRCD-UHFFFAOYSA-N 343.387 1.644 0 40 EDAB CS(=O)(=O)NCCNc1ccc2cc(Br)ccc2n1 77188659 FGYOAURGXNCWJQ-UHFFFAOYSA-N 344.234 1.958 0 40 EDAB CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(C)c1)NC(=O)N2 38671262 VLXHDPVOENDSPY-CYBMUJFWSA-N 328.372 1.870 0 40 EDAB CC[C@@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832307 VVYYIUCDMDNMDX-NOZJJQNGSA-N 346.836 1.782 0 40 EDAB O=C(CSc1ccc(F)cc1)N1CCN(CCn2cccn2)CC1 62022018 BLAAUEQUIKHUQK-UHFFFAOYSA-N 348.447 1.959 0 40 EDAB Cc1ncn(CC(=O)N[C@@H]2CCN(Cc3ccsc3)C2)c(=O)c1C 675008064 ULTDPJKVDBETEV-OAHLLOKOSA-N 346.456 1.312 0 40 EDAB Cc1occc(=O)c1OCc1noc(C(=O)NCc2ccncc2)n1 31820601 FZGYRFDVQSDDKT-UHFFFAOYSA-N 342.311 1.235 0 40 EDAB CN1C(=O)C[C@@H](CNC(=O)CC2=CCCCC2)[C@@H]1c1nccn1C 563736634 DRQSYDPAADLGCG-WMLDXEAASA-N 330.432 1.946 0 40 EDAB Cc1ccc(CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)o1 72241801 NQNKCGSYXZHYFI-DLBZAZTESA-N 346.358 1.942 0 40 EDAB CN1CCN(c2ncc3c(n2)CN(Cc2ccc(F)cc2)C3=O)CC1 46088744 XUUPWAIOCWAQIU-UHFFFAOYSA-N 341.390 1.524 0 40 EDAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NC(C)(C)C 225884495 FAAFOYHZVGUFHP-UHFFFAOYSA-N 342.461 1.793 0 40 EDAB O=C(NCCCc1nc(=O)[nH][nH]1)[C@H](F)c1ccc(C(F)(F)F)cc1 225791365 CVCXKCNKKNYMJG-LLVKDONJSA-N 346.284 1.876 0 40 EDAB Cc1ccc(=O)n([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)n1 44395318 SZNPVXNCLDOOCY-OAHLLOKOSA-N 326.400 1.462 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)n1ccc2c(nnc3ccnn32)c1=O 40388074 OOFWVHJJCBQRHT-ZDUSSCGKSA-N 335.323 1.308 0 40 EDAB CN(C)c1cnnc(N2CCN(C(=O)/C=C/c3ccco3)CC2)c1 224310385 DMFVBXPRXXUQDR-AATRIKPKSA-N 327.388 1.498 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2nnn(-c3ccc(F)cc3)n2)CC1 75163533 UTMJADCCCMUWEI-UHFFFAOYSA-N 347.350 1.217 0 40 EDAB Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)nn1 225431245 AHJHLKJXVIMCTE-LLVKDONJSA-N 325.415 1.689 0 40 EDAB CCc1cccc(N2C[C@@H](C(=O)NCCNC(=O)C3CC3)CC2=O)c1 44376109 ZVKYTSWZJMFGTQ-HNNXBMFYSA-N 343.427 1.244 0 40 EDAB O=S(=O)(c1cccnc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225687963 PFUJLQUGELDSEN-QGZVFWFLSA-N 343.452 1.903 0 40 EDAB Cc1ncc2c(n1)CCN(C(=O)NCCc1ccc3c(c1)OCO3)C2 44966731 IZRZTYVAVSSCIM-UHFFFAOYSA-N 340.383 1.824 0 40 EDAB COC(=O)NCC(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 40555372 AWXLIXRUFYZMLJ-LBPRGKRZSA-N 336.417 1.829 0 40 EDAB C[C@H]1CN(Cc2ccco2)C[C@@]12COCCN(Cc1nccn1C)C2 96202392 FCVPWAOMKBXHFF-LPHOPBHVSA-N 344.459 1.984 0 40 EDAB Cc1nn(CCS(C)(=O)=O)c(C)c1[C@H](C)NCc1ccco1 96476329 MKCGUVJONHHDHK-NSHDSACASA-N 325.434 1.988 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ncccn2)C1 96244405 DNDFCKVQVYPYFV-KRWDZBQOSA-N 326.404 1.319 0 40 EDAB CN(C)[C@@H](CNC(=O)CCS(C)(=O)=O)c1c(F)cccc1F 96406919 FTIVMKHSGVMRTD-LBPRGKRZSA-N 334.388 1.118 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 583616360 IXVCHBOBIYSUQX-RBSFLKMASA-N 329.393 1.376 0 40 EDAB Cc1ccccc1[C@@H](C)NC(=O)N1CCO[C@H](c2nncn2C)C1 583623936 WVSWTXJHJUHZEK-HIFRSBDPSA-N 329.404 1.968 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)Nc2cccnc2N2CCCC2)c1C 95450222 GBHVROWIVQHQBU-UHFFFAOYSA-N 327.388 1.645 0 40 EDAB O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(Cc3ccccc3)C[C@H]21 96040761 NNBDODQNGNAYNY-ZACQAIPSSA-N 338.411 1.810 0 40 EDAB O=C(c1c[nH]c(=O)c(Br)c1)N1CCN(C2CCC2)CC1 96426521 CIKGOXRHWYICPG-UHFFFAOYSA-N 340.221 1.448 0 40 EDAB O=C1CCCN1C[C@@H]1CN(C(=O)c2cccs2)Cc2nccn2C1 96188456 KNPGQCBBARHHSB-CYBMUJFWSA-N 344.440 1.839 0 40 EDAB CC(C)CNC(=O)c1nc2c(s1)CCN(c1ncccn1)CC2 96146984 RAGOIICXCUWTBA-UHFFFAOYSA-N 331.445 1.924 0 40 EDAB Cc1cnc(N2CCC[C@@]3(CO[C@@H](C(=O)NC4CCC4)C3)C2)nc1 96074312 QVFRNYRBOADMCG-QAPCUYQASA-N 330.432 1.829 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccc[nH]1)C2 96237708 WMFJGRQPEUUPQF-IBGZPJMESA-N 338.411 1.578 0 40 EDAB CCc1c(Cl)nc(C)nc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 96427281 DKLFDIUNRYQMBW-ZDUSSCGKSA-N 338.839 1.828 0 40 EDAB Nc1nnc(C2CCN(C(=O)NCCc3ccc(F)cc3)CC2)o1 585137449 ZRYFORAIOQHMSE-UHFFFAOYSA-N 333.367 1.923 0 40 EDAB COc1nsc(CNC(=O)Nc2ccn(C)n2)c1Br 585135328 BTZLMTPYORWJAT-UHFFFAOYSA-N 346.210 1.969 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)c3conc3C)CC2)c1 585130780 BVCFHRXAMLJIKM-UHFFFAOYSA-N 329.356 1.590 0 40 EDAB C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1F)[C@H]1CN(C)CCN1C 585125795 FXYLIAWERCWEBP-LDYMZIIASA-N 333.329 1.607 0 40 EDAB Cc1cc(CN2CCn3cc(C(=O)NCC4CC4)nc3[C@H]2C)no1 247909720 LAZOGQVROXWOET-GFCCVEGCSA-N 329.404 1.896 0 40 EDAB COc1ccc(CN2CCN(C(C)=O)C[C@@H](C(=O)N(C)C)C2)cc1 257268689 MMTUGOZDCDAGSC-INIZCTEOSA-N 333.432 1.064 0 40 EDAB Cc1c[nH]c([C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCO2)n1 257336673 YPMRJJWFJRKEJD-CYBMUJFWSA-N 325.365 1.619 0 40 EDAB Cc1cccc(N2CCC[C@H](N(C)C(=O)c3cc(O)nc(O)n3)C2)n1 257297940 RJKXZRSOUNMDKC-LBPRGKRZSA-N 343.387 1.332 0 40 EDAB Cc1ccc2nc(C(=O)N3CCO[C@@H](c4nccc(C)n4)C3)cn2c1 257307851 TUJWJORZRAVWEO-OAHLLOKOSA-N 337.383 1.955 0 40 EDAB CC(C)c1cc(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)cs1 257305786 SRMNKDZFLNYWDU-QGZVFWFLSA-N 338.473 1.781 0 40 EDAB Cc1nn(C)c2nc([C@H]3CCCN(C(=O)Cn4ccnc4)C3)ccc12 257334934 YHXNJPCPVPJDFG-AWEZNQCLSA-N 338.415 1.879 0 40 EDAB Cc1cn(C)c([C@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 257220499 DLBCOADGOADWLJ-ZDUSSCGKSA-N 340.383 1.653 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(-n2cncn2)ncn1 96025255 QRJSYPGMXHRFFE-ZUZCIYMTSA-N 338.327 1.224 0 40 EDAB COc1ccc(C(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)nn1 96025154 JQHCFJUMKMKQME-UHFFFAOYSA-N 337.339 1.498 0 40 EDAB Cc1cnc(C(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)cn1 390827132 DYVIFRUQWTUMFP-UHFFFAOYSA-N 333.373 1.168 0 40 EDAB Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c(S(C)(=O)=O)c1 647703466 DUKXJXLNIADFIA-WDEREUQCSA-N 340.401 1.773 0 40 EDAB CN(C)c1nc(CNC(=O)c2ccccc2)nc(N2CCCCC2)n1 575605627 LWDXMNKMPIXDIL-UHFFFAOYSA-N 340.431 1.858 0 40 EDAB O=C(c1cc[nH]n1)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 575403335 HMXYWDOQFHAFDF-AWEZNQCLSA-N 328.372 1.395 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)CCN2CCOCC2)C1 585275388 AEWQMPJDGYXVIF-IBGZPJMESA-N 348.443 1.060 0 40 EDAB CNC(=O)[C@H]1COC2(CN(Cc3ccc(C)cc3)C2)CN1CC1CC1 585109340 KQEQULVAIMDWIF-GOSISDBHSA-N 343.471 1.406 0 40 EDAB CNC(=O)[C@@]1(C)CN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)CCO1 585284932 KJYKLIFYJKNCGA-RLLQIKCJSA-N 346.471 1.912 0 40 EDAB CN(CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccc(F)cc1 42332635 MTTDLFLYPJXNBS-UHFFFAOYSA-N 343.406 1.396 0 40 EDAB C[C@@H](OC[C@H]1CCCCO1)C(=O)NCCC(=O)Nc1ccccn1 58393249 PREPLYXGSVNIAN-ZIAGYGMSSA-N 335.404 1.501 0 40 EDAB CCc1cc(NC[C@H]2CCS(=O)(=O)C2)nc(-c2ccncc2)n1 68663010 YJWVAFQTUMXPCI-GFCCVEGCSA-N 332.429 1.948 0 40 EDAB O=C(CC1CCCC1)N1CCCN(C(=O)NC[C@@H]2CCCO2)CC1 69814317 PYSUCGVVTQCSSJ-INIZCTEOSA-N 337.464 1.990 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1COC(=O)[C@H]1CCC(=O)NC1 69946364 WAUIQSWMQQHREE-QWHCGFSZSA-N 340.420 1.845 0 40 EDAB CS(=O)(=O)CCNCc1cc2ccccc2nc1N1CCOCC1 71837263 FFFFEFXXIYTJDX-UHFFFAOYSA-N 349.456 1.206 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cnn(Cc3ccccc3)c2C)CC1 71818665 RMJYXJZURPYCDH-UHFFFAOYSA-N 340.427 1.934 0 40 EDAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NCc3cccc(F)c3)[C@H]3CO[C@@H]2O3)c1 952844606 ATFZCTUDMSSPIU-OVYGPGRDSA-N 333.363 1.146 0 40 EDAB biogenic,in-vitro CN1C(=O)CN(C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1=O 826573283 PBQQKBQOWOVOAY-UHFFFAOYSA-N 337.326 1.463 0 40 EDAB Cc1cc(C)nc(NC(=O)NCc2cn(C3CC3)c(=O)nc2O)c1 1616033539 QCLWSCYFWVHYQI-UHFFFAOYSA-N 329.360 1.617 0 40 EDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NCc3ccccc3F)[C@H]3CO[C@@H]2O3)n1 1534639849 LLONTVGFDRJBNU-HSFUPAIVSA-N 347.390 1.455 0 40 EDAB CCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC 5978876 ISLKTCKDKJMDAX-CHWSQXEVSA-N 342.461 1.975 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 16189282 FKEBPMJXCMLWAD-UHFFFAOYSA-N 326.418 1.422 0 40 EDAB Cc1c([C@@H]2CCCN(C(=O)c3ccnn3C)C2)n2c(nc1=O)CCC2 19554873 JVFYEBUXRCQIET-CYBMUJFWSA-N 341.415 1.251 0 40 EDAB CN(Cc1nc(N2CCCC2)ncc1-c1ccccn1)S(C)(=O)=O 19586330 PIFGTMBDIQFQCE-UHFFFAOYSA-N 347.444 1.530 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](CCO)C(C)(C)C)CC2 163499798 XYAMABRTMCOQTD-CHWSQXEVSA-N 337.468 1.813 0 40 EDAB Cc1cc(C(=O)N2CC(n3cc(CN4CCCC4=O)nn3)C2)c(C)o1 225630223 ACEXPGODHSRLBU-UHFFFAOYSA-N 343.387 1.307 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)NC(C)(C)C1=O 4309265 YWECYUYJMZWLDV-UHFFFAOYSA-N 325.752 1.618 0 40 EDAB CN([C@H]1CCN(c2cnc3ccccc3n2)C1)S(=O)(=O)C1CC1 1888865668 KTBWDOVFIJOZBS-LBPRGKRZSA-N 332.429 1.633 0 40 EDAB Cc1nc(N2CCN(Cc3ccccn3)CC2)cc(-n2cccn2)n1 1889139405 HIFCPAAIOHGIPI-UHFFFAOYSA-N 335.415 1.688 0 40 EDAB CC(C)N(C)CC(=O)N1CCc2nc(C(=O)N(C)C)sc2CC1 1565554413 ZIKLFKBKHAPEMF-UHFFFAOYSA-N 338.477 1.112 0 40 EDAB O=C(NCc1ccccc1)NCc1nnnn1-c1ccc(F)cc1 9616608 UMVXFNOIKCXMJL-UHFFFAOYSA-N 326.335 1.801 0 40 EDAB O=C(Nc1cccnc1)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713627 OQNBONWQEZQAFE-CYBMUJFWSA-N 339.399 1.715 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)o1 2055747593 LJNUCZJSMQXZMW-RDJZCZTQSA-N 345.399 1.918 0 40 EDAB Cn1cccc(C(=O)N2CCC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c1=O 2055834993 PBPOOXUNUNMFEV-DNVCBOLYSA-N 346.427 1.576 0 40 EDAB c1nc(C2CCC2)cc(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 1775975792 ODVTVYNGVQWMFE-UHFFFAOYSA-N 336.403 1.737 0 40 EDAB Cc1nccnc1N1CC(Cn2nc(-c3ccncc3)ccc2=O)C1 585605542 CLIDOSSJNIOJKZ-UHFFFAOYSA-N 334.383 1.540 0 40 EDAB COCC[C@](C)(O)CNS(=O)(=O)c1cc(Cl)ccc1OC 278859665 UGKKYFIYUVKASZ-ZDUSSCGKSA-N 337.825 1.414 0 40 EDAB Cc1cc([C@@H](O)CCNC(=O)C(=O)NCCc2ccccc2)c(C)o1 85561958 UDHDOAGWHPKTJN-KRWDZBQOSA-N 344.411 1.795 0 40 EDAB O=C(O)[C@H]1[C@@H]2C[C@@H]2CN1S(=O)(=O)c1ccc(Br)cc1 13401158 UWSISCWAFROVHI-AVPPRXQKSA-N 346.202 1.543 0 40 EDAB CN1N=C(C(=O)NCCOc2cccc3c2OC(C)(C)C3)CCC1=O 40074733 NENJCVISEBJOOO-UHFFFAOYSA-N 345.399 1.503 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 20019957 LHGXHRRHUBYGGK-UHFFFAOYSA-N 346.355 1.034 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@@H](CN)C2)cc1Br 50246953 YSTFEMOXEYFTII-VIFPVBQESA-N 349.250 1.427 0 40 EDAB Cc1ccc(-c2noc(CCC(=O)N[C@@H]3CCCCNC3=O)n2)cc1 40521752 PQFVVGGQBXFMTD-CQSZACIVSA-N 342.399 1.763 0 40 EDAB Cc1ccc(CCNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101163101 XLRPJWMJLZNSFL-LAQRGFTBSA-N 338.407 1.461 0 40 EDAB COc1ccc(N2C(=O)C[C@@H](NCCCCCC(=O)O)C2=O)cc1 101253973 DXYGOJQVMJGKEF-CQSZACIVSA-N 334.372 1.562 0 40 EDAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCNS(C)(=O)=O 29677974 PQZLXFBTFPYNIC-SNVBAGLBSA-N 334.825 1.081 0 40 EDAB CC(C)(CNc1nn2cnnc2c2ccccc12)N1CCOCC1 21798670 AOTNZOBAVSJROI-UHFFFAOYSA-N 326.404 1.800 0 40 EDAB N=C1NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1 4976875 BKUMVXIXUVYKDQ-GHXNOFRVSA-N 349.393 1.733 0 40 EDAB in-vivo CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 6358317 NIXWAIXVLHWRDD-SECBINFHSA-N 349.250 1.641 0 40 EDAB COc1ccc(OC[C@@H](O)CN(CCO)CCO)c(C(C)(C)C)c1 6552183 BYINXSWQNYJQKF-AWEZNQCLSA-N 341.448 1.019 0 40 EDAB Cn1nccc1CN1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108528259 ZQQXUWUHLPIKRI-ROUUACIJSA-N 327.432 1.290 0 40 EDAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(O)c1 8338747 HEUUIEXNALQXSO-LLVKDONJSA-N 342.351 1.984 0 40 EDAB COc1cc(C2(C(=O)N3CCN(C[C@H](C)O)CC3)CC2)ccc1C 70040908 XCVWYQKJCCRKQZ-HNNXBMFYSA-N 332.444 1.560 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)c2ccc(Cn3ccccc3=O)o2)C1 46862096 KZJNGXAIAAAXHG-OAHLLOKOSA-N 343.427 1.951 0 40 EDAB O=S(=O)(NCCN1CCc2sccc2C1)N1CCCCC1 53685823 GTSGFZSWNOJJQQ-UHFFFAOYSA-N 329.491 1.427 0 40 EDAB O=C(NC[C@@H]1CCOC1)N1CCN(c2ncnc3sccc23)CC1 47067073 WSIWXWHNHFUNLI-LBPRGKRZSA-N 347.444 1.559 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CC[S@@](=O)c3ccccc3)CC2)n1 69393435 NZLVXJNGADLWFA-SHACYNPGSA-N 348.472 1.864 0 40 EDAB COc1coc(CN2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)cc1=O 91461381 OCVNHWCLUIXUCR-GOEBONIOSA-N 348.443 1.724 0 40 EDAB COC(=O)c1ccc(NC(=O)C[C@@H]2SC3=NCCN3C2=O)cc1 61720983 VBOIWBIVJGEJQB-NSHDSACASA-N 333.369 1.115 0 40 EDAB Cc1ccc(N2CCCC2)c(C(=O)N2CCC(NC(N)=O)CC2)c1 76092175 XPZHAIWGAWBEIG-UHFFFAOYSA-N 330.432 1.868 0 40 EDAB COC(=O)/C=C/c1ccc(OCc2nnnn2C2CC2)c(OC)c1 24832082 WLVPRALBKIYGCA-XBXARRHUSA-N 330.344 1.782 0 40 EDAB C[C@H](NC(=O)NCCNc1ncccn1)c1ccc2c(c1)OCCO2 43482492 JKRQKTBLQLJBRJ-LBPRGKRZSA-N 343.387 1.720 0 40 EDAB CC(C)C[C@@H](C(=O)N1CCN(C)CC1)N1C(=O)c2ccccc2C1=O 24632031 KVYZYHVZYCXZMM-INIZCTEOSA-N 343.427 1.471 0 40 EDAB FC(F)Oc1ccccc1NC(=S)NCCN1CCOCC1 25397447 JSZXXZKKLHRZFR-UHFFFAOYSA-N 331.388 1.907 0 40 EDAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCC(=O)N1CCOc2ccccc21 25312216 GUSGTKJQLUYHKK-KBPBESRZSA-N 342.395 1.977 0 40 EDAB Cc1noc(C)c1CN1CCN([C@@H](C(N)=O)c2ccccc2)CC1 43617832 HJMIVBZPQCKKES-QGZVFWFLSA-N 328.416 1.636 0 40 EDAB O=S(=O)(c1ccc(NCCCn2ccnc2)nc1)N1CCCC1 25784722 LZNROIQQYRBREL-UHFFFAOYSA-N 335.433 1.565 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 107721818 TUNIWZIVLPVNQS-OKZBNKHCSA-N 346.427 1.783 0 40 EDAB CC(=O)N1CCN([C@@H]2CN(CCOc3ccc(C)cc3)C[C@H]2C)CC1 78896050 YJNLNMAXODMVSJ-YLJYHZDGSA-N 345.487 1.858 0 40 EDAB CCCN(C(=O)c1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 78805691 OZTMMYHRTDYPGE-HNNXBMFYSA-N 325.430 1.872 0 40 EDAB Cc1ccc(C(=O)NC[C@H]2CCN(C(C)C)C2)cc1S(C)(=O)=O 58017945 OPJVDWIZALRETK-CQSZACIVSA-N 338.473 1.859 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 20150495 GXSBDFGSOBTNIJ-CENBSLRLSA-N 336.413 1.335 0 40 EDAB COc1ccccc1OCC(=O)N1CCN(c2nccs2)CC1 10269898 BHTLXRGJGMAGBJ-UHFFFAOYSA-N 333.413 1.879 0 40 EDAB O=C(CNC(=O)c1ccsc1)NC[C@H](O)c1cccc(Cl)c1 58229983 FMBARLRDOGDOEY-ZDUSSCGKSA-N 338.816 1.981 0 40 EDAB O=C(Cn1cccnc1=O)NCCc1cccc(Cl)c1Cl 58201959 JESHASBTHCQDFI-UHFFFAOYSA-N 326.183 1.909 0 40 EDAB C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)N1CCOCC1 58228891 GRXOOOBHAVLFIA-CQSZACIVSA-N 327.384 1.454 0 40 EDAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)C(=O)N1CCOCC1 58297053 DMJQQWKPCJFQSE-VIFPVBQESA-N 340.763 1.046 0 40 EDAB O=C(NCCc1ccccc1)c1nn(-c2ccccc2F)nc1CO 8613497 HKXHLSRWNJSYJC-UHFFFAOYSA-N 340.358 1.871 0 40 EDAB CSc1ncccc1C(=O)NC1CCN(c2ncccn2)CC1 36394123 NEUOHEVCXRPDSY-UHFFFAOYSA-N 329.429 1.992 0 40 EDAB CNS(=O)(=O)c1ccc(-c2nc(-c3ccccc3OC)no2)o1 36357902 DOQORGOSTMXEDL-UHFFFAOYSA-N 335.341 1.913 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)N1CCN(c2ncccn2)CC1 28404416 RUUGOEFSHMIUFL-OAHLLOKOSA-N 339.399 1.312 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 28665746 OXEGDLIVZAXYOV-CQSZACIVSA-N 332.381 1.588 0 40 EDAB COc1ccc(Br)c(C(=O)N[C@H]2CCCCNC2=O)c1 37993153 ZLQACKRXBDBJIX-LBPRGKRZSA-N 341.205 1.856 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(CC(F)(F)F)CC1 48359112 BISXRVYHMMNDKL-JTQLQIEISA-N 333.310 1.104 0 40 EDAB COc1ccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 48300687 RUJRCSHGPRDGIY-LLVKDONJSA-N 334.397 1.834 0 40 EDAB Cc1cc(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)on1 12807753 JDVMFXHNEKVZMB-UHFFFAOYSA-N 327.344 1.290 0 40 EDAB Cc1cc(C(=O)N2CCCC[C@H]2C2OCCO2)c2c(C)nn(C)c2n1 69415944 MCNLKEWYWAIUMV-AWEZNQCLSA-N 344.415 1.953 0 40 EDAB CCO[C@H]1CCCN(C(=O)c2sc(S(N)(=O)=O)cc2C)C1 69451263 KKWGCLOTJGMUFX-JTQLQIEISA-N 332.447 1.345 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(CCC(=O)NC2CCCC2)CC1 69899622 XMHPZPHOYBYZHQ-INIZCTEOSA-N 325.497 1.460 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)NCCc1cccs1 69924261 JZNHMDJCNKTNSW-IAGOWNOFSA-N 349.500 1.882 0 40 EDAB CCOCCN1CCN([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 69652501 URWANZXLSQDGGU-OAHLLOKOSA-N 337.468 1.445 0 40 EDAB C[C@H](CNC(=O)CCCOc1cccc(F)c1)N1CCN(C)CC1 69665742 YZZJBMKPOWULJI-OAHLLOKOSA-N 337.439 1.737 0 40 EDAB O=c1[nH]c(CCN2CCC[C@H](Cn3cncn3)C2)nc2ccccc12 69622548 CMFHTKPNTWHFMM-AWEZNQCLSA-N 338.415 1.469 0 40 EDAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N(C)CCN1CCOCC1 69927226 IZOBBJSULNPDJH-OAHLLOKOSA-N 337.439 1.437 0 40 EDAB O=C1C[C@H](Nc2ccc3c(c2)OCO3)C(=O)N1c1ccc(O)cc1 5016716 GTACOWQXDROQKQ-ZDUSSCGKSA-N 326.308 1.865 0 40 EDAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(N2CCCC2)CC1 65474415 VMWKRMRUQVFFPY-AWEZNQCLSA-N 344.459 1.673 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NCCc2ccc3c(c2)OCO3)C1 65454005 VKXXDCOGNYTIBV-CQSZACIVSA-N 333.388 1.268 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)Cc1cnn(-c3ccccc3)c1)CC2 65578018 GHUWLTYYLJYFBT-OAHLLOKOSA-N 336.399 1.446 0 40 EDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC1CCC(O)CC1 65553997 KOOKHKWQFWGUOM-UHFFFAOYSA-N 344.415 1.758 0 40 EDAB CC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 65552586 HDVLUCOMUPMUFM-LBPRGKRZSA-N 345.321 1.723 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1F 65537419 QYLKFBCSTVKNOD-PWSUYJOCSA-N 346.449 1.804 0 40 EDAB CCOC(=O)CN(CCOC)CC(=O)NCc1cccc(Cl)c1 65587467 ZGRUFPWACWJSNC-UHFFFAOYSA-N 342.823 1.468 0 40 EDAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCN(c2ncccn2)CC1 14162915 HMJANMQLKPZMTE-CYBMUJFWSA-N 330.392 1.312 0 40 EDAB O=C1Cc2cc(C3=NN=C(NC[C@H]4CCCO4)SC3)ccc2N1 14168074 NCPFWUZJMINNFO-GFCCVEGCSA-N 330.413 1.757 0 40 EDAB CN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C(N)=O)c1ccc(F)cc1 14162165 ZYTGYYWAGKXTOT-INIZCTEOSA-N 340.358 1.721 0 40 EDAB Cc1cc(OCC(=O)N2CCC(O)CC2)c2c(C)cc(=O)oc2c1 6760076 SUFOOQQGAIIMQD-UHFFFAOYSA-N 331.368 1.772 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(N)=O 4914282 XMWCTZXSCZBJGY-UHFFFAOYSA-N 334.353 1.623 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C1CC1 7279010 XTXVAQRTGYYTTM-BBATYDOGSA-N 327.384 1.295 0 40 EDAB Cn1nc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c2ccccc2c1=O 7770955 BGAMVXHRPOYIJP-UHFFFAOYSA-N 342.443 1.973 0 40 EDAB CC(C)Cn1cnc(S(=O)(=O)NCCc2nnc3ccccn23)c1 81063735 KOFJNIUBYFHSKM-UHFFFAOYSA-N 348.432 1.103 0 40 EDAB Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccccc2Cl)no1 96000553 BAFIWUURTUQNGP-LLVKDONJSA-N 343.792 1.794 0 40 EDAB COc1cccc(CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 9376996 USAOLDDVNHJBMR-LBPRGKRZSA-N 348.424 1.763 0 40 EDAB CC(C)c1cc(N2CCc3ncnc(N(C)C)c3C2)n2ncnc2n1 65458313 YYNYZRHWWZLUQZ-UHFFFAOYSA-N 338.419 1.666 0 40 EDAB O=C(Nc1cccnc1)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 71883859 OMNFZSRHKRUVGW-ZDUSSCGKSA-N 346.337 1.693 0 40 EDAB C[C@@H](C(=O)NCC1CCCCC1)[S@@](=O)Cc1nnnn1C1CC1 71859156 GPXBKBGBEALWGV-BSNNYGBQSA-N 339.465 1.342 0 40 EDAB CC(C)c1nnc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)n1C 97095825 IPBSLJZMPPZWHN-UHFFFAOYSA-N 326.360 1.105 0 40 EDAB CCOc1ccc(CCC(=O)Nc2n[nH]c(CC(=O)OC)n2)cc1 71911420 DEABWVQUXDQFGY-UHFFFAOYSA-N 332.360 1.490 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)c3ccc(N4CCCC4)nn3)C2)no1 72232618 FTKOYZLEFXWTGY-ZDUSSCGKSA-N 342.403 1.788 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1c(C)nn3c(C)cc(C)nc13)C2 72279175 XGIQAVCBJYVTRI-CQSZACIVSA-N 338.415 1.904 0 40 EDAB CCCCn1nnnc1CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC 72268586 RTWSSLWANZGCAZ-CABCVRRESA-N 334.468 1.839 0 40 EDAB CC(C)c1cc(NC(=O)CNC[C@@H]2CCCN2c2cccnn2)on1 72276752 GWWAIOZYNLMOJG-ZDUSSCGKSA-N 344.419 1.785 0 40 EDAB COc1ccc(N2C[C@H](C(=O)NCc3ncc(C)o3)CC2=O)cc1 72306754 PCMXIDXYSXOTFT-GFCCVEGCSA-N 329.356 1.661 0 40 EDAB Cn1cc(C(N)=O)cc1C(=O)OCCN1CCCc2ccccc21 84314400 NDFOZXOFNNTCRH-UHFFFAOYSA-N 327.384 1.734 0 40 EDAB O=c1cc2c(nn1CN1CCN(c3ccccn3)CC1)CCCCC2 72404792 NYSGCHARQSVMPF-UHFFFAOYSA-N 339.443 1.687 0 40 EDAB O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 95365049 CMROFSGGZCQQCJ-GFCCVEGCSA-N 339.399 1.784 0 40 EDAB Cn1ccc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc21 95472743 QJZYHNIVJAQPOC-UHFFFAOYSA-N 343.408 1.756 0 40 EDAB CC(C)N(C)CC(=O)N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1 95998215 VDWRHYHEJSPAGL-MRXNPFEDSA-N 341.459 1.640 0 40 EDAB COCC(=O)N1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 95982467 GBCIHHFWSYHFGH-UHFFFAOYSA-N 332.379 1.506 0 40 EDAB CN1CCN([C@@H](CNC(=O)NCc2cc[nH]n2)c2cccs2)CC1 89382596 WMZSHZWCNXOSJF-AWEZNQCLSA-N 348.476 1.259 0 40 EDAB O=C1COc2cc(C(=O)Nc3cnccc3-n3ccnc3)ccc2N1 75141315 MERSOOOPIBTRNO-UHFFFAOYSA-N 335.323 1.851 0 40 EDAB CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(-c2ccncc2)[nH]c1=O 75143443 ZSSSUIMYGZUVKC-KRWDZBQOSA-N 340.427 1.849 0 40 EDAB CN(C)C(=O)c1cc(NC(=O)C(=O)NCCC2=CCCCC2)ccn1 75105752 PGNYASMGPQGKBE-UHFFFAOYSA-N 344.415 1.729 0 40 EDAB CC(=O)c1cccc(NC(=O)N(C)C[C@H](O)CN2CCOCC2)c1 75107089 HCYMBHRHOAEMHV-INIZCTEOSA-N 335.404 1.046 0 40 EDAB O=C1NC[C@@H](C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)N1 89826391 JNZQWOAJYZDEBE-GJZGRUSLSA-N 343.358 1.743 0 40 EDAB Cc1ccccc1OCn1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 27972133 UZYPERTXTNEWOM-CYBMUJFWSA-N 349.412 1.145 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 23176823 CLSRCQSGPVWFRY-NSHDSACASA-N 334.372 1.116 0 40 EDAB CCCc1nnc(NC(=O)c2cccnc2N2CCOCC2)s1 41980133 GBFYPYPATSIMDM-UHFFFAOYSA-N 333.417 1.975 0 40 EDAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CCOC[C@H]1C[C@@H](C)O 545242887 GAFFWXFIXDTOIF-HZSPNIEDSA-N 335.400 1.560 0 40 EDAB O=C(NC[C@@H]1CC[C@]2(COCCN(CC3CC3)C2)O1)c1ccno1 306132570 LMNIQHYJJBGXEL-YOEHRIQHSA-N 335.404 1.064 0 40 EDAB Cn1nc(C(=O)N[C@@]2(C)CCN(CC[C@H]3CCOC3)C2)cc1Cl 1046474877 XBFBRKPLDHKSJU-LRDDRELGSA-N 340.855 1.694 0 40 EDAB CNC(=O)[C@@]12CCOC[C@H]1CN(C(=O)c1ccc(C3CC3)nc1C)C2 1551412477 TTWWDNIKZUTLGT-AUUYWEPGSA-N 343.427 1.492 0 40 EDAB CN(C)[C@H](CNc1cc(N2CCSCC2)ncn1)c1cnn(C)c1 302905610 SQLZRWVYLYBTRW-CQSZACIVSA-N 347.492 1.478 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2ccccc2Cl)C1 78602854 OOVZUEQZFYEKGZ-LBPRGKRZSA-N 339.823 1.506 0 40 EDAB CCCc1nc(N[C@H]2COC[C@@H]2N2CCCC2)c2cnn(C)c2n1 72447835 IWJQBIRQXGYLCV-KBPBESRZSA-N 330.436 1.591 0 40 EDAB COc1cc(N2CCN(Cc3cc(CO)ccc3F)CC2)ncn1 528452309 SGNIATGXYJQIFB-UHFFFAOYSA-N 332.379 1.439 0 40 EDAB COCC(=O)Nc1ccc(NS(=O)(=O)[C@H]2CCCC[C@@H]2O)cc1 78551954 ZPVOVVPQVMXINX-KBPBESRZSA-N 342.417 1.317 0 40 EDAB CC(C)Cc1noc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 42684610 RMOOGRICRSLOBX-CQSZACIVSA-N 336.436 1.339 0 40 EDAB O=C(NC1CCCCC1)N1CCN(C(=O)c2ccc[nH]c2=O)CC1 32796094 JSDGVFADZIPCTC-UHFFFAOYSA-N 332.404 1.175 0 40 EDAB COc1ccccc1CNc1nc(NCCO)c2nccnc2n1 32074063 XSVJIMMPXKWQJU-UHFFFAOYSA-N 326.360 1.445 0 40 EDAB CN1C(=O)CN(C2CCN(C(=O)Cc3ccccc3F)CC2)C1=O 675008413 XBGYCHKNOKBQEM-UHFFFAOYSA-N 333.363 1.253 0 40 EDAB O=C(O)CCC(=O)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225484892 APOBUZDJELZEDE-LBPRGKRZSA-N 336.319 1.748 0 40 EDAB biogenic,in-vitro Cc1cnccc1CC(=O)N1CCN(C(=O)Cc2ccccc2)CC1 194620837 ZYACXMLUSYPFOE-UHFFFAOYSA-N 337.423 1.846 0 40 EDAB Nc1nc(=O)n(CCN2CCOCC2)c2sc3c(c12)CCCC3 40267122 ALUDHAFCNQSDPY-UHFFFAOYSA-N 334.445 1.251 0 40 EDAB Cc1cc(-c2noc(CNC(=O)[C@@H]3COc4ccccc4O3)n2)no1 225812522 ZDWRMCVAISHCJB-ZDUSSCGKSA-N 342.311 1.489 0 40 EDAB Cc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)[nH]n1 47555416 BGWKYBGOBRIYTJ-UHFFFAOYSA-N 327.138 1.442 0 40 EDAB C[C@]1(C(=O)NCCCN2CCOCC2)Sc2ccccc2NC1=O 40808142 OUWFXTANFULCOF-QGZVFWFLSA-N 349.456 1.328 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)Cn1c(-c2ccncc2)noc1=O 193457068 CXOWRKPLPMWRSQ-LBPRGKRZSA-N 336.351 1.876 0 40 EDAB CCOC(=O)c1c(S(=O)(=O)Nc2ccc(F)cc2)n[nH]c1C 47417496 JSBPVGPMXCJRCF-UHFFFAOYSA-N 327.337 1.835 0 40 EDAB C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1nc(O)nc(O)c1N 331623256 YBIDPGVJRHRUMR-KOLCDFICSA-N 330.344 1.072 0 40 EDAB O=C(c1cccnc1)N1CCOC2(CCN(c3ncccn3)CC2)C1 96158944 YIPUOVUYBGSLFI-UHFFFAOYSA-N 339.399 1.383 0 40 EDAB CCN1C[C@@]2(CC1=O)CN(Cc1ccoc1)CCN(C(=O)C(C)C)C2 96036166 KGLHTEHJXSIECH-LJQANCHMSA-N 347.459 1.818 0 40 EDAB O=C1N(c2cncnc2)CC[C@]12CCCN(CC1CCOCC1)C2 96048726 ONMPEJQXGCKNGO-SFHVURJKSA-N 330.432 1.722 0 40 EDAB CN(C)C(=O)c1nn(C)c2c1CCN(Cc1ccc3c(c1)OCO3)C2 96187465 RZZKZKQRUXQESO-UHFFFAOYSA-N 342.399 1.409 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3[C@@H](CC2)OCCN3CC2CC2)cn1 96082222 TUOOIXZTDSTIFW-DLBZAZTESA-N 330.432 1.500 0 40 EDAB O=C(c1cccnc1)N1CCc2c(CNc3ncccn3)n[nH]c2C1 96084120 YITWTRMYLYMPGM-UHFFFAOYSA-N 335.371 1.405 0 40 EDAB O=C(NCc1ccccn1)[C@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21 96040770 HOXILZGUQRTINF-NXHRZFHOSA-N 341.411 1.685 0 40 EDAB CCc1nsc(N2CC[C@@H](Nc3ccc4nc(C)cn4n3)C2)n1 582338388 CYKSJFYMBGSUCM-LLVKDONJSA-N 329.433 2.142 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)c2noc3c2CCCC3)[C@@H]1c1cccnc1 583621010 ISQHVDFWFMBTIX-DYVFJYSZSA-N 340.383 1.650 0 40 EDAB c1cc(CN2CCc3ncc(CN4CCOCC4)n3CC2)cs1 96196903 IJHXVDVZJWRSRB-UHFFFAOYSA-N 332.473 1.835 0 40 EDAB CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2cccc(C(N)=O)c2)C1 90635733 FUQXSGQGEWCXJO-UHFFFAOYSA-N 340.401 1.179 0 40 EDAB c1cnc(N2CC[C@@]3(COCCN(Cc4ccncc4)C3)C2)nc1 96202311 YNJMSWKKVIAPPK-SFHVURJKSA-N 325.416 1.601 0 40 EDAB C[C@@H](NCC(=O)N1CCNC(=O)C1)c1c(Cl)ccc(F)c1Cl 96490960 ZDJURFOSCGWCTN-MRVPVSSYSA-N 348.205 1.742 0 40 EDAB CN(C)c1ccc(NC(=O)N2CCN(Cc3ccon3)CC2)cn1 96434024 ZTHRHOFUDLNBAQ-UHFFFAOYSA-N 330.392 1.485 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@@H]2CCN(c3cccnc3)CC[C@@H]21 96249489 BDFGEYYEAKPEBL-JKSUJKDBSA-N 337.445 1.243 0 40 EDAB O=C1[C@@H](n2cnc3cc(F)ccc3c2=O)CCN1CC(F)(F)F 96405353 YMEBVIICKSGVPS-NSHDSACASA-N 329.253 1.871 0 40 EDAB O=C([C@H]1CN(Cc2ccccc2F)C[C@H]2OCC[C@H]21)N1CCCO1 96041199 GLZCKHPVYIZSBD-YQQAZPJKSA-N 334.391 1.827 0 40 EDAB O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccccc1F 96447575 DEFXKBMCEAWVOI-UHFFFAOYSA-N 334.391 1.927 0 40 EDAB O=C(c1ncccn1)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 96108901 HLJQJXAZUOOJRJ-CRAIPNDOSA-N 340.383 1.177 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(Cc2cscn2)C1 257220879 DMPNDQGKRBVOCA-LLVKDONJSA-N 340.474 1.724 0 40 EDAB C[C@@]1(C(=O)NCc2nccn2CCc2ccccc2)CCNC1=O 585140563 HERBQXKVSGFEOC-GOSISDBHSA-N 326.400 1.268 0 40 EDAB CN(CC1CC1)S(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 585115547 GFKLOWFILLMINK-CYBMUJFWSA-N 348.465 1.294 0 40 EDAB COC(=O)c1ccc2nc(CNC(=O)c3nnc(C4CC4)o3)[nH]c2c1 585138405 NINUUHKUQMAETD-UHFFFAOYSA-N 341.327 1.540 0 40 EDAB C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(C)CCC(=O)NC1 585128694 KZARGAOEURZVGG-MDYRTPRTSA-N 343.471 1.930 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2nnc3cnccn23)C1 585126277 UYJWWXFJQRYSSR-JTQLQIEISA-N 332.364 1.320 0 40 EDAB O=C(Cc1ccc(F)c(F)c1)N1CCC(CO)(NCC2CC2)CC1 585129943 CMXSNUSMUPHDMW-UHFFFAOYSA-N 338.398 1.860 0 40 EDAB O=C(NC1(CO)CCSCC1)c1cc(-c2ccccc2O)[nH]n1 585120913 WLDULQGAXKRAQL-UHFFFAOYSA-N 333.413 1.770 0 40 EDAB O=c1c2occc2ccn1CCNS(=O)(=O)c1ccccc1F 253473449 UYBVAUUMGISQFM-UHFFFAOYSA-N 336.344 1.712 0 40 EDAB Cc1cccnc1C(=O)N1CCO[C@H](c2ncc(CN(C)C)[nH]2)C1 257229097 FWRCABGZBOORQR-AWEZNQCLSA-N 329.404 1.388 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCC[C@H]1CCc1ccncc1 257206270 BCQVCFWPVVNOJB-HNNXBMFYSA-N 325.434 1.056 0 40 EDAB C[C@@]1(O)CCN(C(=O)c2ccncn2)C[C@H]1Oc1cccc(F)c1 257344684 ZYHADVXTQVKMSW-NVXWUHKLSA-N 331.347 1.660 0 40 EDAB Cc1cc2nc([C@H]3CCCCN3S(=O)(=O)N(C)C)cc(O)n2n1 257202574 AMLKMBWYXHPJFY-GFCCVEGCSA-N 339.421 1.077 0 40 EDAB O=S(=O)(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1ccccc1F 257313307 URTUQXMBJOECIC-IIAWOOMASA-N 342.436 1.482 0 40 EDAB CC(=O)N1[C@H]2CCN(C(=O)Cc3ccc(F)cc3)C[C@@H]2C[C@]1(C)CO 257199948 ABJVQFJNHSJFPC-VDZJLULYSA-N 348.418 1.589 0 40 EDAB Cc1cc(C)nc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 257252252 JUDBWSFXBVRDEX-OAHLLOKOSA-N 333.413 1.856 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)s1 260790529 CPBVWJRXOQYWNM-CIUDSAMLSA-N 330.435 1.354 0 40 EDAB O[C@@H]1[C@H]2[C@@H]3C[C@H]1N(c1nc(C(F)(F)F)cs1)[C@H]1[C@H](O)[C@H]3C[C@H]21 606445135 XAOIMKHXOZLAGE-GIKDPBMESA-N 332.347 1.727 0 40 EDAB CCc1c(C)nc2ncnn2c1N1CCN[C@H](c2ccc(O)cc2)C1 1612845275 YICVHAQVQBBVEQ-INIZCTEOSA-N 338.415 1.852 0 40 EDAB Cc1nccn1-c1ncccc1CNC(=O)NCC[C@H]1CCCN1 1614994989 COPIMNXAHQXGQA-OAHLLOKOSA-N 328.420 1.517 0 40 EDAB Cc1cc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)oc1C 1615615253 NIRGICZECYCNSB-UHFFFAOYSA-N 327.402 1.316 0 40 EDAB CC(C)[C@H](Nc1ccccc1)C(=O)N1CCN(C(=O)CN(C)C)CC1 1615615669 ZNMQRGHMERTURR-SFHVURJKSA-N 346.475 1.356 0 40 EDAB O=C1COc2cccc(OC[C@H](O)COc3ccc(F)cc3)c2N1 390833377 GTDPFJQLEFPJFI-GFCCVEGCSA-N 333.315 1.975 0 40 EDAB COCCOc1cccc(C(=O)N2CC(Cc3cnn(C)c3)C2)c1 585140219 AEOBHNWBXAHHQA-UHFFFAOYSA-N 329.400 1.760 0 40 EDAB COc1cccc(-n2cc(NC(=O)[C@@H](C)OC[C@@H]3CCCO3)nn2)c1 585140844 LQMAFAMCLBQDEH-DOMZBBRYSA-N 346.387 1.799 0 40 EDAB CO[C@@H]1CCN(C(=O)c2cnc(C(C)(C)C)nc2)C[C@H]1CC(N)=O 585277831 YHEYEIOVEQTUNR-DGCLKSJQSA-N 334.420 1.127 0 40 EDAB CN(Cc1csc2ccccc12)C(=O)CC[C@H]1NC(=O)NC1=O 46921519 XBOQOULVSQVGSX-GFCCVEGCSA-N 331.397 1.848 0 40 EDAB O=C(NCCN1CCOCC1)N(Cc1ccco1)C[C@H]1CCCO1 55087031 BJLLKNPDQFTBJK-MRXNPFEDSA-N 337.420 1.302 0 40 EDAB C[C@H]1CCCN(CCCNC(=O)CNC(=O)Cc2cccc(F)c2)C1 53154587 LFTVIYAACJKKJF-HNNXBMFYSA-N 349.450 1.723 0 40 EDAB Cc1nc(CN2CCC[C@H](NC[C@H](O)COc3ccccc3)C2)no1 69875319 PVWAZLCTEVDTRX-HOTGVXAUSA-N 346.431 1.372 0 40 EDAB Cc1cc(CN2CCN(C(=O)Cn3ncc4ccccc43)CC2)on1 69813204 HUODLFOPWZHKNM-UHFFFAOYSA-N 339.399 1.677 0 40 EDAB C[C@H](O)CN1CCC(CN(C)CC(=O)NCc2cccs2)CC1 69901460 CUNSOSLTXHGTLT-AWEZNQCLSA-N 339.505 1.389 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccccc2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772594968 LSVNXRKWEPNOEH-BHIYHBOVSA-N 345.487 1.393 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(C(F)(F)F)n2N)C1 5993543 MYNJNOOFTNPRSY-YUMQZZPRSA-N 337.371 1.607 0 40 EDAB O=C1NC2(CCN(CC(=O)N3CCCCC3)CC2)Oc2ccccc21 12183423 AINAIQCDXPYRRW-UHFFFAOYSA-N 343.427 1.613 0 40 EDAB Cc1nn(C)cc1C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 12366128 HYPFALCXWYDYBX-OAHLLOKOSA-N 328.416 1.694 0 40 EDAB O=C(CN1CCC(O)(c2cccnc2)CC1)NCc1ccccc1 13267150 QBIJIQVCCJPRNI-UHFFFAOYSA-N 325.412 1.681 0 40 EDAB CCn1cncc1C(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19578383 DBWRWMPGNDEIGC-CYBMUJFWSA-N 341.415 1.426 0 40 EDAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2cc[nH]n2)cs1 548354227 DLERIFZXKNKXFS-AAEUAGOBSA-N 337.424 1.859 0 40 EDAB CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NC[C@@H]1CCCO1 14033741 YUJMRIUQIMJXCN-NEPJUHHUSA-N 337.445 1.699 0 40 EDAB O=C1C[C@]2(CCN(c3nc(C(F)(F)F)nc4[nH]cnc34)C2)CN1 573637039 UWCAOKAUTPMFQT-GFCCVEGCSA-N 326.282 1.088 0 40 EDAB FC(F)(F)c1ccnc(N2CCN(c3ccn4nccc4n3)CC2)n1 1889136159 LMXNLKQNESKDFU-UHFFFAOYSA-N 349.320 1.865 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCc3sccc3C2)c2ccccc21 22322661 NKHKVBCOASKLOO-UHFFFAOYSA-N 327.409 1.986 0 40 EDAB C[C@H](OC(=O)c1nccnc1N)C(=O)N1CCCc2ccccc21 22610711 AAIUUHKJNNTLQM-NSHDSACASA-N 326.356 1.584 0 40 EDAB Cc1nc(NS(=O)(=O)c2ccc(Br)cc2C)n(C)n1 129044147 VINLKJGEBLODJC-UHFFFAOYSA-N 345.222 1.995 0 40 EDAB Cc1cccc(CN2CCN(CCN3C(=O)NC(C)(C)C3=O)CC2)c1 26904506 NXNVJKJRVWXCGT-UHFFFAOYSA-N 344.459 1.443 0 40 EDAB CCC(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1 1775963819 FDMLVFUMEFRCIR-ZDUSSCGKSA-N 328.372 1.960 0 40 EDAB biogenic,in-vitro COc1ccc(S(=O)(=O)N[C@@H](Cn2nccn2)C(C)C)cc1F 238884846 PVNFSUCDOVZKTL-ZDUSSCGKSA-N 342.396 1.429 0 40 EDAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H]1CCOC1)CC2 1565551661 IXPGQPSUDRAZLO-GJZGRUSLSA-N 338.448 1.147 0 40 EDAB CCN1C(=O)c2cccnc2C12CCN(C(=O)[C@H]1CCOC1)CC2 1565551994 MZFFDCINPHVCNB-ZDUSSCGKSA-N 329.400 1.412 0 40 EDAB Cc1cccn2c(=O)nc(SCC(=O)N3CCC(C)CC3)nc12 4503998 LUEXODREPNSJQH-UHFFFAOYSA-N 332.429 1.749 0 40 EDAB CCN(CC)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713728 CXHJAZREDNPXIW-AWEZNQCLSA-N 332.448 1.940 0 40 EDAB Cc1cc(CN[C@@H]2CCc3onc(CN4CCOCC4)c3C2)n(C)n1 2055732358 DADLOJGDWJLVDH-CQSZACIVSA-N 345.447 1.196 0 40 EDAB O=C(N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1)c1cocn1 2055739007 GVEOLQZHZVQTQH-SNVBAGLBSA-N 330.344 1.090 0 40 EDAB Cn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cc(F)cc(F)c21 100893857 VTBAOOXSDIYOKR-VKAVYKQESA-N 339.323 1.094 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CC(Oc2nccs2)C1 208031984 LXMQVMZSDSSBIR-UHFFFAOYSA-N 327.369 1.627 0 40 EDAB COC(=O)c1ccc(Cn2nc(-c3cccnc3)n(C3CC3)c2=O)o1 207956696 CVVMZPBWXPZUSU-UHFFFAOYSA-N 340.339 1.870 0 40 EDAB Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2cc(C(N)=O)[nH]n2)s1 225554675 HKFNQSOYEFHTNS-LBPRGKRZSA-N 333.417 1.949 0 40 EDAB O[C@@H]1CCCC[C@H]1N1CCN(c2nccc(N3CCCC3)n2)CC1 2298178384 NKYRDDKBLDWKLK-HZPDHXFCSA-N 331.464 1.502 0 40 EDAB C[C@H](O)CN(C[C@H](C)O)C[C@H](O)COC12CC3CC(CC(C3)C1)C2 35590865 WEZRROLMUUBMCC-JYFSRGQHSA-N 341.492 1.396 0 40 EDAB COC[C@H](C)NC(=O)c1nnn(-c2ccc(Br)cc2)n1 75163757 QGNPRFYXFSMTBC-QMMMGPOBSA-N 340.181 1.190 0 40 EDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)cc(F)c1 10495487 FKXGXFLIKQOBNG-NSHDSACASA-N 339.385 1.163 0 40 EDAB O=C(NCc1cc(Br)ccc1F)c1ccc(=O)[nH]n1 40498908 LDJDAXSKMBZUJS-UHFFFAOYSA-N 326.125 1.602 0 40 EDAB Cc1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1C(C)(C)C 40538582 MFQVVILCPTXUHE-UHFFFAOYSA-N 328.420 1.699 0 40 EDAB O=C(CCCn1c(=O)oc2ccccc21)N[C@H]1CCCCNC1=O 40521254 DUDDSCNECAGXOP-LBPRGKRZSA-N 331.372 1.160 0 40 EDAB COc1ccc(Cl)cc1C(=O)NCCN1C(=O)CSC1=O 40554746 IMFKAVCJNMHVQR-UHFFFAOYSA-N 328.777 1.774 0 40 EDAB CNC(=O)CS(=O)(=O)Cc1noc(-c2ccc(Cl)cc2)n1 46175525 ZOSUJNPKULWCNI-UHFFFAOYSA-N 329.765 1.051 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NCC[C@H]3CCCO3)CC2=O)cc1 69388411 WZSDQPDPDHEUJM-DOTOQJQBSA-N 346.427 1.729 0 40 EDAB CCOC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C 310630 JCZYCSSJVFFPDK-MRVPVSSYSA-N 340.405 1.048 0 40 EDAB CNC(=S)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O 4132717 VGDKYWIOXKUUBZ-UHFFFAOYSA-N 333.457 1.834 0 40 EDAB COC(=O)[C@H]1[C@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@]1(C)O 4908586 VUGOLLUZWMJXDN-MRRJBJDNSA-N 348.355 1.058 0 40 EDAB Cc1nnc(CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1C 52667899 NJQOHUWJMWPNOV-UHFFFAOYSA-N 331.395 1.150 0 40 EDAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 32916365 RHANHFBNJGRXTR-XBFCOCLRSA-N 341.477 1.863 0 40 EDAB CCOC(=O)C12C3[C@@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 101049481 BBEXDNJULWVKLO-NJSOYJDQSA-N 327.174 1.178 0 40 EDAB COc1ccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2S(=O)(=O)N(C)C)cc1 100113526 UOOULBVXCDDOQJ-IOASZLSFSA-N 340.445 1.733 0 40 EDAB CCn1cnnc1CNC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 46964775 YXYNRGCLDCJBGO-SNVBAGLBSA-N 328.376 1.353 0 40 EDAB CN(C)c1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cn1 22421376 WDOFWPGKSYTUMG-UHFFFAOYSA-N 339.399 1.830 0 40 EDAB COc1ccc(Br)cc1CN(C)c1ccc2nnnn2n1 9113969 KKTRXQGDWIPDFV-UHFFFAOYSA-N 349.192 1.927 0 40 EDAB COC(=O)CS[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 23223317 LHMRUEFLMPOYEF-SECBINFHSA-N 331.415 1.536 0 40 EDAB O=C(Nc1ccccc1)C1CCN(C(=O)CCn2cncn2)CC1 23748831 JWBJDZSJHKOGCG-UHFFFAOYSA-N 327.388 1.546 0 40 EDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccncc2)C1=O 23751496 KQYYJHYBJJABBO-QGZVFWFLSA-N 342.330 1.626 0 40 EDAB COc1cn(CC(=O)N2CCN(c3ccccc3)CC2)c(C)cc1=O 12449699 ZIFAWYWIPURODP-UHFFFAOYSA-N 341.411 1.514 0 40 EDAB CC(C)C(=O)N1CCN(Cn2nnc(-c3ccc(Cl)cc3)n2)CC1 23702646 JZZLNPSKIKPWDB-UHFFFAOYSA-N 348.838 1.751 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2C(=O)N[C@]3(CCSC3)C2=O)c1 24096860 XZFFKDGYSWUKRQ-LRDDRELGSA-N 336.413 1.162 0 40 EDAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C)c1 24089643 LAPYPVUTABZVOE-KDOFPFPSSA-N 332.400 1.764 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)c1ccc2c(c1)CCC2 24161673 JSWXELDCEKMLLB-QGZVFWFLSA-N 330.409 1.786 0 40 EDAB C[C@H]1CN(c2ccc(N[C@H](C)C(=O)NC(N)=O)cc2F)C[C@@H](C)O1 106122969 IOEMPCNAQDKSNB-OUAUKWLOSA-N 338.383 1.435 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)OCCO2 24995330 FFHAACMMFLXZPH-CQSZACIVSA-N 336.388 1.400 0 40 EDAB COc1ccccc1[C@H](C)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 34889446 PYOGNHBQQGHPAF-UPJWGTAASA-N 328.434 1.700 0 40 EDAB C[C@H](COc1ccc(F)cc1F)NC(=O)N1CCC(C(N)=O)CC1 56896496 UWFXJVDNJDIMDD-SNVBAGLBSA-N 341.358 1.639 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCO3)C1=O 26234494 OPCLHVZMDYNTPE-UHFFFAOYSA-N 330.340 1.395 0 40 EDAB CC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 57272374 MSCFEJUXIAZJLD-CYBMUJFWSA-N 339.461 1.607 0 40 EDAB O=C([C@H]1COC[C@H]2CN(Cc3ccccc3)C[C@H]21)N1CCCCO1 107713841 WRIQIBKUGIXPSO-KURKYZTESA-N 330.428 1.935 0 40 EDAB O=C(O)c1cccnc1CN1CCNC(=O)[C@H]1c1cccc(F)c1 65387193 XCGUPDYQTMVPQD-OAHLLOKOSA-N 329.331 1.592 0 40 EDAB CN(CCn1nc2ccccn2c1=O)C[C@H]1COc2ccccc2O1 26922406 UUNRLXPNKVKMCZ-AWEZNQCLSA-N 340.383 1.268 0 40 EDAB C[C@H](NC(=O)[C@@H]1COCCO1)c1ccc(NC(=O)NC2CC2)cc1 44627987 IFAUYYMARIVNLE-NHYWBVRUSA-N 333.388 1.563 0 40 EDAB O=C(CCN1CCN(CCc2ccncc2)CC1)Nc1nccs1 65456176 IBAIKMCCYASDML-UHFFFAOYSA-N 345.472 1.727 0 40 EDAB NC(=O)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1 3231986 VIWXFMRAEGXSEJ-UHFFFAOYSA-N 326.352 1.900 0 40 EDAB COC(=O)CNC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 58191600 YWWBICSLFVBQJQ-UHFFFAOYSA-N 349.305 1.858 0 40 EDAB CS(=O)(=O)c1ccc(NCc2ccco2)c(S(C)(=O)=O)c1 44891950 BYTQNUHXOAIDPD-UHFFFAOYSA-N 329.399 1.699 0 40 EDAB CCc1nc2ccccc2n1CC(=O)N[C@H](C(N)=O)c1ccccc1 10268025 CKBUWQKGXNTXOK-SFHVURJKSA-N 336.395 1.942 0 40 EDAB CC(=O)NCCNC(=O)CCc1ccc(Br)cc1F 58217200 DWQJIRGQAMSTOC-UHFFFAOYSA-N 331.185 1.773 0 40 EDAB COc1ccc(NC(=O)NCc2cccc(S(N)(=O)=O)c2)cn1 44971337 ODFHYECJELGHLD-UHFFFAOYSA-N 336.373 1.059 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@@H]1CC(=O)N(C)C1)O[C@H](C)C2 44911824 INHMRFJJUGLEQH-BXUZGUMPSA-N 332.400 1.503 0 40 EDAB C[C@H]1CN(CCNC(=O)c2csc(-c3cnn(C)c3)n2)C[C@H](C)O1 44958282 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Cn1c(=O)c2cc(C(=O)Nc3ccc(F)cc3F)cnc2n(C)c1=O 12822102 IRXAXDQEAMRRJT-UHFFFAOYSA-N 346.293 1.163 0 40 EDAB O=C(CC1CCCC1)NCCNC(=O)c1c[nH]c2ccccc2c1=O 69414401 FYURPOSILPQZJE-UHFFFAOYSA-N 341.411 1.954 0 40 EDAB NC(=O)C1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 12947181 WCQIAMCLBRHRMU-UHFFFAOYSA-N 338.411 1.699 0 40 EDAB Cc1ccc(CC(=O)N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)cc1 69527876 AZZBVGIBJNMIEB-OAHLLOKOSA-N 341.415 1.061 0 40 EDAB Nc1nc(N)nc(CN2CCC[C@H]2c2nc3ccccc3s2)n1 49563554 GMDAVLFQTUMBCL-JTQLQIEISA-N 327.417 1.983 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)Nc2ccccn2)c1 64624518 UTFJRSHDQYHAGC-UHFFFAOYSA-N 334.401 1.453 0 40 EDAB CCOC(=O)CN1CCS(=O)(=O)c2c(Cl)c(F)nc(F)c21 13718436 BGICRXHKGBGZGQ-UHFFFAOYSA-N 340.735 1.170 0 40 EDAB NC(=O)C1CCC(NC(=O)Nc2cccc(N3CCOC3=O)c2)CC1 69626232 ZNMPHJMFGDKNJC-UHFFFAOYSA-N 346.387 1.809 0 40 EDAB Nc1nc(S[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)n[nH]1 20798877 AJUDSKPTXOSREY-MRVPVSSYSA-N 325.300 1.089 0 40 EDAB CC[C@H](C)NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 408705451 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1.166 0 40 EDAB O[C@H](COCc1ccccc1)CN1CCN(c2ncccn2)CC1 68049505 FZZVZTWVEUJIBM-KRWDZBQOSA-N 328.416 1.176 0 40 EDAB Cc1ccc(SCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 8762446 FZSZGZSLUPEGSD-LBPRGKRZSA-N 325.386 1.911 0 40 EDAB CCCn1c(SCC(=O)NCCc2ccccc2)nc(O)cc1=O 16046019 IWNXMKLLSIVKCZ-UHFFFAOYSA-N 347.440 1.810 0 40 EDAB C[C@@H](NC(=O)CN1CSCC1=O)c1ccc(-n2ccnc2)cc1 7990829 IXSOXYJPPIUGOH-GFCCVEGCSA-N 330.413 1.582 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)c2n1 68755082 YEUWXRJMZZXTCZ-CQSZACIVSA-N 341.415 1.416 0 40 EDAB O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1ccccn1 69161170 JTWKVENLXHWPCA-UHFFFAOYSA-N 336.395 1.672 0 40 EDAB COc1cccc(N2CCN(C(=O)[C@H]3[C@H](C(=O)O)C3(C)C)CC2)c1 71281916 UKHHLUUHDSTQKA-HUUCEWRRSA-N 332.400 1.701 0 40 EDAB NC(=O)[C@H]1CN(CCCc2ccccc2Br)CCO1 97085881 IDMAOIBEUIIPJD-CYBMUJFWSA-N 327.222 1.568 0 40 EDAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2cccc(C(N)=O)c2)C1=O 9316029 MKKGZGZKBQBYPT-LLVKDONJSA-N 339.351 1.538 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 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326.393 1.433 0 40 EDAB CN(C[C@H](O)CN1CCOCC1)[C@@H]1CCc2c(F)cc(F)cc21 95433855 FOYOEEOAQHTYAM-SUMWQHHRSA-N 326.387 1.577 0 40 EDAB CC(C)CN(CC(F)(F)F)C(=O)Cn1cc(Cl)c(=O)[nH]c1=O 85252517 XNFKQRKOCCLLML-UHFFFAOYSA-N 341.717 1.237 0 40 EDAB COC[C@@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCO1 73973164 HZQOUEZZRWPPCL-SFHVURJKSA-N 347.459 1.073 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(c2ccc3nnc(C4CC4)n3n2)C1 95955884 VNKWTFVUKVJICV-CQSZACIVSA-N 340.431 1.744 0 40 EDAB Cn1ncc(C(=O)NCC(=O)Nc2cccnc2)c1-c1ccccc1 95985546 NGUZARKTDTYPKT-UHFFFAOYSA-N 335.367 1.851 0 40 EDAB Cc1sc(=O)n(CCC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1C 75092543 IQGKTVWDHKLLNU-GOEBONIOSA-N 332.425 1.691 0 40 EDAB Cc1cc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)c(C)o1 89580307 QXVOCLOMTPIWIR-UHFFFAOYSA-N 328.434 1.135 0 40 EDAB COc1ccc(N2C[C@H](C(=O)Nc3c[nH]c(=O)c(C)c3)CC2=O)cc1 89583243 RHVRXIGRASRIPF-GFCCVEGCSA-N 341.367 1.684 0 40 EDAB NS(=O)(=O)[C@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 75144423 QAORWPVKNDSCQD-NSHDSACASA-N 341.820 1.714 0 40 EDAB 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EDAB Cc1cc(S(=O)(=O)N2CCSCC2)cc2c1NC(=O)C2(C)C 71196024 OAYOKHKBUFWTEC-UHFFFAOYSA-N 340.470 1.962 0 40 EDAB NC(=O)[C@@H]1CC(=O)N(c2cccc(I)c2)C1 216873529 BZZWOQWBYPVIGT-SSDOTTSWSA-N 330.125 1.129 0 40 EDAB COC(=O)c1ccc(N2CCOCC2)c(I)c1 39951835 PKNNUCZHEQOFGI-UHFFFAOYSA-N 347.152 1.914 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C12CCC2 74606655 DQKJBWZCMBYTMG-CVEARBPZSA-N 348.447 1.850 0 40 EDAB C[C@]1(c2[nH]ncc2S(C)(=O)=O)CCCN(C(=O)c2ccccn2)C1 72388765 SHAVOTDZAGNBTN-INIZCTEOSA-N 348.428 1.402 0 40 EDAB C[C@H]1CN(CC(=O)NCCc2ccc3c(c2)OCCO3)C[C@H](C)O1 44875081 DDDDTUVAPADLDH-KBPBESRZSA-N 334.416 1.226 0 40 EDAB C[C@@H]1Oc2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2NC1=O 227168394 QGONSXASXKWKQF-JTQLQIEISA-N 336.369 1.820 0 40 EDAB Cc1cc(-c2noc(CNC(=O)c3n[nH]c4c3CCCC4)n2)no1 225813832 VCFPXAVMELLYNU-UHFFFAOYSA-N 328.332 1.565 0 40 EDAB CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cn1 89305745 NFFRVOLKQLJTQC-ZWKOTPCHSA-N 340.427 1.628 0 40 EDAB 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c1ccc(CN2CCO[C@H]3CN(c4ncnc5[nH]cnc45)C[C@@H]32)cc1 96469764 AHDJYXMHCJVSMR-GJZGRUSLSA-N 336.399 1.443 0 40 EDAB CN(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(F)c1 96186270 QKGHBXUDWXCLPJ-HZPDHXFCSA-N 333.407 1.479 0 40 EDAB Cc1nnc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)s1 96217843 MCFARCOFSGHECC-LSDHHAIUSA-N 344.440 1.824 0 40 EDAB CNS(=O)(=O)CCCN1CCC[C@H](CN2CCCCCC2)C1 96407735 PFVUXSUNIXBRGW-MRXNPFEDSA-N 331.526 1.514 0 40 EDAB CC[C@@H]1C(=O)NCCN1C[C@H](CCOC)NC(=O)OC(C)(C)C 583651839 UIOXQZWUEBOUIC-QWHCGFSZSA-N 329.441 1.127 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCC[C@](O)(c2cnn[nH]2)C1 583617810 UFPGQFBCHXUJIE-OAHLLOKOSA-N 336.779 1.591 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)ccc1F 96496856 ZTDOTTBHWMGNSG-CYBMUJFWSA-N 338.408 1.827 0 40 EDAB COc1ccc([C@@H]2CN(c3nc(OC)nc(OC)n3)CCN2C)cc1 257334671 YGXQSWPHWAHKMD-AWEZNQCLSA-N 345.403 1.391 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(CC(=O)N3CCCC3)CCO2)ccn1 257321514 WBZNSXXUZUHUHI-KRWDZBQOSA-N 346.475 1.403 0 40 EDAB c1cnc(OCC[C@H]2CCOC3(C2)CN(C2CCOCC2)C3)cn1 253588819 UNJXTCGDIKOIKL-HNNXBMFYSA-N 333.432 1.906 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CCN(C)Cc2ccccn2)n1 257200352 ACYFDEAVOAKEKK-INIZCTEOSA-N 343.431 1.535 0 40 EDAB NC(=O)c1cc(Cl)cc(S(=O)(=O)NCC(F)(F)C(F)F)c1 585129736 UJFUPIBTTKBQEA-UHFFFAOYSA-N 348.705 1.618 0 40 EDAB CNC(=O)c1cc(O[C@@H]2CCCN([C@H](C)c3noc(C)n3)C2)ccn1 585116382 SSCLTFOWLVSLSU-BXUZGUMPSA-N 345.403 1.737 0 40 EDAB Cc1cc(C)n(CCCC(=O)N2CCC3(CC2)OCCC[C@@H]3O)n1 257314412 UWVLQMMUCGLZSI-INIZCTEOSA-N 335.448 1.813 0 40 EDAB CNCCOc1cccc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)c1 257306604 SUZULYMPJXMCFP-KRWDZBQOSA-N 348.443 1.431 0 40 EDAB CCn1ncc(S(=O)(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)c1C 257308620 TXKWJMQLXHJBOY-GJZGRUSLSA-N 343.449 1.170 0 40 EDAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C[C@@H]1C(N)=O 257325217 WRYYQVRSRWYWGW-OAHLLOKOSA-N 343.383 1.246 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCOC[C@H](Cc2ccncn2)C1 257294719 QVJLZLDRELKRHL-CYBMUJFWSA-N 337.383 1.684 0 40 EDAB O=C(CCCn1ccnc1)N1CCC2(CC(Nc3ccncn3)C2)C1 257261105 LFTCRIYAOGEJRD-UHFFFAOYSA-N 340.431 1.947 0 40 EDAB O=C(C1CCOCC1)N1CCC2(CC1)C[C@@H](Cc1cnccn1)CO2 257337417 YSRIGOWLMPQXNI-OAHLLOKOSA-N 345.443 1.843 0 40 EDAB COC(=O)[C@@H](c1cccnc1)N1CCn2c(CC3CC3)nnc2C1 593053055 BFSQHDXRZOCDFM-MRXNPFEDSA-N 327.388 1.356 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1[C@@H](Nc2cncc(Cl)n2)CC(=O)N1C 1615550955 QPKDYZMAHNZNLP-BONVTDFDSA-N 334.811 1.864 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)N2CCCc3ccccc3C2)cn1 566735186 BLAXCAMHNLPPMF-UHFFFAOYSA-N 332.381 1.917 0 40 EDAB O=C(Cn1cccc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96122150 GQANPTYGHNOMPK-UHFFFAOYSA-N 338.816 1.826 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)Nc1cnn([C@H]2CCOC2)c1 96123257 OPIRYNCUHJGIMD-ZDUSSCGKSA-N 337.401 1.962 0 40 EDAB O=C(Cn1cnnc1O)NCCn1c2ccccc2c2ccccc21 390835059 BYGOWHHVBPGPIV-UHFFFAOYSA-N 335.367 1.908 0 40 EDAB CC(C)NC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2cncn21 585095872 RCYNPCPGKQCCEL-HNNXBMFYSA-N 328.372 1.310 0 40 EDAB CCCN1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 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1.998 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)NC2CN(c3cnccn3)C2)cc1 1252060828 SAYYNCKMZTUIEZ-UHFFFAOYSA-N 346.456 1.941 0 40 EDAB CCOC(=O)c1cnn(C[C@H](O)CN(C)[C@@H](C)CCSC)c1 1615614306 DTBXXIXZVYJUMC-GXTWGEPZSA-N 329.466 1.494 0 40 EDAB CN1C[C@@H](C(=O)NCC2CCOCC2)[C@@H]2COc3ccccc3[C@@H]21 1772595498 BOUYLOZZBDHBEM-RYRKJORJSA-N 330.428 1.841 0 40 EDAB CC(C)[C@H](NC(=O)[C@H]1C=CCN1S(C)(=O)=O)c1cccs1 12200525 WXMLVJRQHJUMHK-YPMHNXCESA-N 328.459 1.761 0 40 EDAB CCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234193 QHGUGFVUYQGUFD-UHFFFAOYSA-N 331.351 1.459 0 40 EDAB CCS(=O)(=O)N1CCCc2cc(C(=O)N3CCOCC3)ccc21 13610479 JJCBRULMEYOYTN-UHFFFAOYSA-N 338.429 1.261 0 40 EDAB O=S(=O)(CCC(F)(F)F)NCC1CCN([C@H]2CCOC2)CC1 575615819 IHVWCSMEFZDSNO-LBPRGKRZSA-N 344.399 1.359 0 40 EDAB Cc1cnc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)nc1 1888854225 MMHLHNOIGAPKKY-RYUDHWBXSA-N 330.367 1.301 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 32269062 GDUMBTVGVFRTOD-GFCCVEGCSA-N 328.844 1.469 0 40 EDAB 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1.459 0 40 EDAB CC(C)NC(=O)Nc1ccc(CNC(=O)CNC(=O)NC2CC2)cc1 58235020 OYJXJYAETGZYMA-UHFFFAOYSA-N 347.419 1.294 0 40 EDAB CCCn1c(S[C@@H](C)c2nnnn2-c2ccccc2)n[nH]c1=O 44919302 TZWPHYHQJJFHKE-JTQLQIEISA-N 331.405 1.810 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)c1cn(-c2ccccc2Cl)nn1 58330023 RNEAXOKSZYYPMO-UHFFFAOYSA-N 349.822 1.907 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)[C@H]1CCCN(c2ncccn2)C1 58356491 QXJWFPXKQXGXQP-KBPBESRZSA-N 333.436 1.114 0 40 EDAB CN1N=C(C(=O)Nc2cccc(CN3CCSCC3)c2)CCC1=O 58331098 OQRFXMODTUNSMM-UHFFFAOYSA-N 346.456 1.782 0 40 EDAB COc1ccccc1N1CC[C@H](CNC(=O)CN2CSCC2=O)C1 58332098 NSMFQXNAGISJKT-CYBMUJFWSA-N 349.456 1.171 0 40 EDAB OCCOCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1 2366871 UTNKSHGKBYJRQW-UHFFFAOYSA-N 333.779 1.890 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCN(c4nccs4)CC3)nc2n1 11187548 TVWZKZLBFRMZLX-UHFFFAOYSA-N 343.416 1.160 0 40 EDAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCCCNS(C)(=O)=O 48362361 GLXVIPALBQKRQL-SNVBAGLBSA-N 349.403 1.607 0 40 EDAB Cc1cc(NC(=O)CSc2nnc(-c3cccs3)n2N)no1 3447143 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EDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2c(C)noc2N)c1C 7252700 VOWBRRINRCELCE-SECBINFHSA-N 349.343 1.725 0 40 EDAB Cc1ccccc1CN(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 67625118 RJOXPOPPYCOCJB-OAHLLOKOSA-N 339.461 1.560 0 40 EDAB O=C(N[C@@H](c1ccccc1)c1ccncc1)[C@H]1CCS(=O)(=O)C1 68262114 HEOYGLRFCXKROS-HOTGVXAUSA-N 330.409 1.722 0 40 EDAB CN(Cc1cccnc1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 96004992 JVCQTPHBURPROW-UHFFFAOYSA-N 337.445 1.244 0 40 EDAB CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCS(=O)CC1 81099657 IHUJOYQHJMTBHF-UHFFFAOYSA-N 338.517 1.914 0 40 EDAB CCc1ccccc1NC(=O)CNC(=O)CNC(=O)c1cccs1 7986690 ZLMHKWOTHSCVKJ-UHFFFAOYSA-N 345.424 1.795 0 40 EDAB COc1cccc(NC(=O)NC2CCN(CC(=O)N(C)C)CC2)c1 69038038 DTVZRWZJJIKRGV-UHFFFAOYSA-N 334.420 1.369 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1c2ccccc2C[C@H]1O 81702183 GYVQNDLAPRPHEI-APWZRJJASA-N 335.363 1.171 0 40 EDAB CCCN(C)c1ccc(C(=O)NC2CCN(CC(=O)NC)CC2)cc1 69349234 LMBLYDGCILOSDK-UHFFFAOYSA-N 346.475 1.473 0 40 EDAB C[C@H](NC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@H]1CCCO1 69459409 NTGSOQWSERCFOC-QJPTWQEYSA-N 330.450 1.980 0 40 EDAB CCc1noc(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 69489824 YQQPBFPKCBDURH-UHFFFAOYSA-N 336.342 1.868 0 40 EDAB Cc1ccc(/C=C/C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)o1 69444357 HHIRAEXIHXSJPB-MOEXGYKKSA-N 331.416 1.542 0 40 EDAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCO[C@H](C(N)=O)C1 69570461 GHEGZGVPILZKKK-CABZTGNLSA-N 346.305 1.185 0 40 EDAB COCCN1C[C@H](C(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)CC1=O 71827941 AANBIWYMOKMHTJ-UAGQMJEPSA-N 346.427 1.470 0 40 EDAB COCCCNC(=O)C1CCN([C@@H](C(N)=O)c2ccccc2)CC1 71821810 MNUFGUNFJCVUPY-MRXNPFEDSA-N 333.432 1.078 0 40 EDAB CC(C)[C@@H](NCC(F)(F)F)C(=O)OCC(=O)N1CCC[C@H](C)C1 71922233 KCXDIYCBUFIFAW-WCQYABFASA-N 338.370 1.965 0 40 EDAB C[C@@H]1[C@@H](NCCS(=O)(=O)N2CCOCC2)C[C@@H]1c1ccccc1 97085096 DHKNORYQEFEDOC-XIRDDKMYSA-N 338.473 1.430 0 40 EDAB C[C@@H](C(=O)N1CCC[C@H](n2cncn2)C1)N1CCc2ccccc2C1 72277951 VKJKVEARVHFDGN-YJBOKZPZSA-N 339.443 1.888 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)CNC[C@H]2CCc3nncn3C2)c1C 72252925 MIRCRGDEHPQBLK-SJORKVTESA-N 344.459 1.795 0 40 EDAB O=C(CNc1cc(N2CCC[C@H]2CO)ncn1)NCc1ccccc1 72276114 KROLPIUSZGSZQF-HNNXBMFYSA-N 341.415 1.166 0 40 EDAB Cc1nc([C@@H]2CCCN2CC(=O)NCc2ccc3c(c2)OCO3)no1 84280858 SJSUTRKXOFSUDD-ZDUSSCGKSA-N 344.371 1.560 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCc3nnc(C)n3C2)cc1S(C)(=O)=O 97198775 RVFWNNIWUNDEIC-CYBMUJFWSA-N 348.428 1.043 0 40 EDAB Cn1cc(CNCc2ccc(N3CCCC[C@@H]3CCO)nc2)cn1 97197974 AWSFQKQYLIKUJR-QGZVFWFLSA-N 329.448 1.846 0 40 EDAB Nc1nc(SC[C@H]2Cn3c(nnc3-c3cccnc3)S2)n[nH]1 95465679 RBWYTIKRQBLHIM-MRVPVSSYSA-N 332.418 1.307 0 40 EDAB O=C(NCCN1CCOCC1)N(CCc1cccc(F)c1)C1CC1 73998977 LENRZINIDKROJB-UHFFFAOYSA-N 335.423 1.874 0 40 EDAB CCc1ccccc1N1C[C@@H](C(=O)N2CCCN(C)CC2)CC1=O 95947601 XJLKORZFHSTFLK-INIZCTEOSA-N 329.444 1.766 0 40 EDAB COc1ccccc1CCNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C 95949175 IWOOBMBNDCBHFD-UHFFFAOYSA-N 340.383 1.551 0 40 EDAB COc1cccc(-n2nc(C)c([C@@H]3COCCN3CCO)c2C)c1 95999884 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NS(=O)(=O)c1cccc(CNC(=O)c2nc3cccnc3s2)c1 193880163 NFEAIBLTUYZUGW-UHFFFAOYSA-N 348.409 1.269 0 40 EDAB C[C@@H](Sc1nnnn1Cc1ccccc1)c1nnnn1C1CC1 191747335 NWOOLFLJRYFDFN-SNVBAGLBSA-N 328.405 1.896 0 40 EDAB Cc1nnc(CNC(=O)Cc2csc(Nc3ncccn3)n2)o1 49029436 FQGOOBXGVISBHW-UHFFFAOYSA-N 331.361 1.227 0 40 EDAB C[S@](=O)c1nncn1CC(=O)N1CCc2[nH]c3ccccc3c2C1 329227274 AZCVYHHMHKPIKJ-DEOSSOPVSA-N 343.412 1.082 0 40 EDAB COc1cccc([C@H](CC(=O)O)NC(=S)Nc2ncccn2)c1 225216951 DBGCDWCPLBPVNL-LBPRGKRZSA-N 332.385 1.988 0 40 EDAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C(=O)Nc1cnn(C)c1 134951247 KPHZDLYERJCWRC-JTQLQIEISA-N 332.408 1.496 0 40 EDAB CC(C)COCCNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 225586637 CGRFACJXGKOUEH-UHFFFAOYSA-N 335.809 1.989 0 40 EDAB CN(C)C(=O)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 96061770 LMSSIQSEQINQDV-QWQRMKEZSA-N 326.400 1.325 0 40 EDAB COc1ccccc1C1=NO[C@@](C)(C(=O)NCc2cnn(C)c2C)C1 96193063 HMHNINDDNDEKSO-GOSISDBHSA-N 342.399 1.937 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCN(CC3CC3)c3ncccc3C2)c1 96198923 TYDNMGDVTLOIKV-UHFFFAOYSA-N 347.444 1.236 0 40 EDAB Cc1ccccc1[C@H]1C[C@H]1C(=O)NC[C@](C)(O)CN1CCOCC1 96450069 DUDGJJZDPGTZSE-LMMKCTJWSA-N 332.444 1.298 0 40 EDAB CCS(=O)(=O)N1CCC[C@@]2(CCCN2C(=O)c2cscn2)C1 96071281 YPVZWNDLCMAEEK-CQSZACIVSA-N 343.474 1.563 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(Cc4nccn4C)C[C@@H]3C2=O)cs1 96245112 SAMVLGNRDUWPMD-JSGCOSHPSA-N 331.445 1.275 0 40 EDAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(C(=O)c1ccco1)CC2 96061532 AOFVMPXUNGLNOU-AWEZNQCLSA-N 342.399 1.634 0 40 EDAB CN(C)CC(=O)N1CC[C@@]2(C1)C(=O)N(CC1CC1)c1ccccc12 96244840 UCYZQRHNUMTDTR-IBGZPJMESA-N 327.428 1.475 0 40 EDAB O=C(c1cnccn1)N1CCC[C@@]2(CCN(Cc3ccccn3)C2)C1 96047080 AEHRIOUSUINCHO-IBGZPJMESA-N 337.427 2.000 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1ccc(-n2cccn2)cc1 96440692 BUDZOPIQLBGWBW-SWLSCSKDSA-N 327.388 1.463 0 40 EDAB CCN(Cc1nc(O)c2ccccc2n1)C(=O)[C@@H]1C[C@H](OC)CN1 583616657 WJDJTVQEYCFVDX-FZMZJTMJSA-N 330.388 1.061 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1)c1ccccn1 583623226 WSLMWZAMLUGLOT-STQMWFEESA-N 342.403 1.194 0 40 EDAB O=S1(=O)CCCN1C1CCN(c2ccnc3ccncc23)CC1 334113483 DZYGOEKNTWJRPW-UHFFFAOYSA-N 332.429 1.634 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1Cc1cnn(C)c1 96200658 JBNQYGFYRZGCND-HOTGVXAUSA-N 332.404 1.237 0 40 EDAB Cc1noc(C)c1CCCNC(=O)NC[C@H](C)N1CCOC[C@@H]1C 96461017 ATNOBHLFFXZCLS-STQMWFEESA-N 338.452 1.632 0 40 EDAB O=C(C[C@H]1CO[C@@H]2CN(CC3CCOCC3)C[C@@H]21)NCc1ccco1 96219579 VRQQTRVCAOXNBP-CGTJXYLNSA-N 348.443 1.659 0 40 EDAB Cc1cc(Br)c2oc(C(=O)NC(C)(CO)CO)cc2c1 97097999 XNUSNIZEIISMND-UHFFFAOYSA-N 342.189 1.977 0 40 EDAB COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC(N)=O 96420640 GUZRLLAACATENK-LLVKDONJSA-N 343.221 1.246 0 40 EDAB CC[C@@H](OC)C(=O)N[C@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 584907873 WNIVNUIGNNQKGA-VQIMIIECSA-N 348.443 1.735 0 40 EDAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1(NC2CC2)CCC1 585095641 RBAPCIYIWZXEEC-HNNXBMFYSA-N 349.500 1.912 0 40 EDAB COC(=O)CC1CCN(C(=O)c2cc(Br)n[nH]2)CC1 585089307 CXMVKLVZMPOIDX-UHFFFAOYSA-N 330.182 1.588 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1cnn(C)c1I 585115663 MPIXWKDRJRWBTD-LURJTMIESA-N 343.190 1.102 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 585121122 GMCCDSPQIGZBBA-DOMZBBRYSA-N 349.406 1.448 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)NCc1nccs1 585121341 MOIFLCHSVNSAEY-MEBBXXQBSA-N 341.433 1.520 0 40 EDAB CCS(=O)(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 253490566 JEHYEJUERFNPEL-MGPQQGTHSA-N 326.418 1.290 0 40 EDAB CO[C@H]1CCN(CC(=O)N2CCc3ccccc32)C[C@@]12CCCO2 257199798 AAVRCEIJCZPSPH-HKUYNNGSSA-N 330.428 1.846 0 40 EDAB CN([C@H]1CCCN(c2ccccn2)C1)S(=O)(=O)c1cn(C)cn1 257343964 ZVCZDQGBTDWOAW-ZDUSSCGKSA-N 335.433 1.105 0 40 EDAB CNC(=O)c1cc(C[C@H]2CCCN(C(=O)c3cccs3)C2)ncn1 257302268 SCFJUDVEQGAGIL-GFCCVEGCSA-N 344.440 1.993 0 40 EDAB O=C(O)COc1ccccc1CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 257296627 RDPZRVKFNHFUHA-SJLPKXTDSA-N 343.379 1.774 0 40 EDAB CNC(=O)c1cnn2c(C3CCN(C4CCOCC4)CC3)ccnc12 257275857 NRGAAYLIKOEGQJ-UHFFFAOYSA-N 343.431 1.447 0 40 EDAB CCn1nccc1-c1cnc([C@@H]2CCCN(C(=O)COC)C2)cn1 257249207 JHHJVEYIKGJGKO-CYBMUJFWSA-N 329.404 1.712 0 40 EDAB Cc1ncsc1C(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257246987 IWVYBEPZOIRMAH-MRXNPFEDSA-N 332.429 1.608 0 40 EDAB Cn1nccc1C(=O)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257222185 DSHLHENYCGUXGS-LBPRGKRZSA-N 326.360 1.536 0 40 EDAB Cc1noc(C)c1-c1nc([C@H]2CCCN(C(=O)CN)C2)ccc1CO 257206167 BCDPSHNYGULYJK-ZDUSSCGKSA-N 344.415 1.510 0 40 EDAB COCCC(=O)N1CCC(c2cc(-c3ncc[nH]3)nc(C)n2)CC1 257287716 PRFPORSBHMIJRN-UHFFFAOYSA-N 329.404 1.918 0 40 EDAB Cc1ccc(CC[C@@H](C)NC(=O)N2CCOC[C@H]2c2ncnn2C)o1 252488327 IPEVUJRUBBNQCB-DOMZBBRYSA-N 347.419 1.821 0 40 EDAB Cn1nnc(NC(=O)c2ccccc2I)n1 558128 FSYJVQWSVXBXOU-UHFFFAOYSA-N 329.101 1.067 0 40 EDAB CCN(C)C(=O)[C@@H](NC(=O)c1oc(-c2cnn(C)c2)nc1C)C(C)C 1615627131 YNFFXMCFLMHHNT-ZDUSSCGKSA-N 347.419 1.616 0 40 EDAB CCNc1ncc(S(=O)(=O)N2CC[C@]3(CCOC3)C2)cc1Cl 1615623793 QYDZWCSAHNUWNH-AWEZNQCLSA-N 345.852 1.968 0 40 EDAB Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccco2)OCCO)cc1 96338167 QVGNFTGXXYGEOV-INIZCTEOSA-N 346.383 1.071 0 40 EDAB C[C@H](NC(=O)NCCCn1nc2n(c1=O)CCCC2)c1cccs1 43289074 KFGQDPDXOVAQPF-LBPRGKRZSA-N 349.460 1.893 0 40 EDAB CCOc1ccc(C(=O)NCCn2cnc(C3CC3)cc2=O)cc1 575604371 YIXYQLJINLYCKA-UHFFFAOYSA-N 327.384 1.949 0 40 EDAB O=C(NC1CC(F)(F)C1)[C@@H]1CN(C(=O)CC2CC2)Cc2ccnn21 575404934 PPJQFCNJDKOKEH-ZDUSSCGKSA-N 338.358 1.480 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@H](C(=O)NCCc2cccs2)C1 575404246 MJMRKORIHONJSU-HNNXBMFYSA-N 346.456 1.843 0 40 EDAB CN1CCCN(C(=O)[C@@H]2CC[C@@H](N(C)Cc3ccccc3)[C@H]2O)CC1 585280384 HEQAAUULSQYVFB-QRVBRYPASA-N 345.487 1.422 0 40 EDAB O=C(C1=CCCCC1)N1Cc2ccnn2CC[C@@H]1CN1CCOCC1 585096771 COJDRPCLKASBDR-QGZVFWFLSA-N 344.459 1.817 0 40 EDAB CN(CC(=O)N1CCN(Cc2ccccc2F)CC1)c1cnccn1 48071687 DPZUOFHDYYBVBP-UHFFFAOYSA-N 343.406 1.396 0 40 EDAB Cc1cccc(CNCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 48783337 PERYKHIGPJLVSX-GJZGRUSLSA-N 326.462 1.524 0 40 EDAB NC(=O)CC1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 49395022 GLEXDWDUGQKAGM-UHFFFAOYSA-N 327.388 1.054 0 40 EDAB O=C(CN1CCC(CO)CC1)N1CCN(c2ccccc2F)CC1 52819918 KONCTJGEAIJOBU-UHFFFAOYSA-N 335.423 1.179 0 40 EDAB O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCO[C@@H]2CCC[C@H]21 56197144 FJMXGYVWVBJQMW-HUUCEWRRSA-N 331.347 1.316 0 40 EDAB COc1ccc(OC)c(CCC(=O)NC[C@@H]2CN(C3CC3)CCO2)c1 69739883 LWUQBNWAOHFHBA-QGZVFWFLSA-N 348.443 1.616 0 40 EDAB COc1nc(C)ccc1CNC(=O)[C@H]1CSCN1C(=O)C1CCC1 69874950 BXZGTXSVRQSQMK-CQSZACIVSA-N 349.456 1.716 0 40 EDAB CNC(=O)C1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 65399412 MBZPDVDPEIZHDM-UHFFFAOYSA-N 347.806 1.519 0 40 EDAB COCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)nc(N(C)C)c1 71903930 DDKCFWFWRZUQBI-CYBMUJFWSA-N 340.855 1.642 0 40 EDAB Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCOCC2)n1 96121292 VNHOPSNATDRMNE-UHFFFAOYSA-N 347.444 1.625 0 40 EDAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1n[nH]c(=O)c2ccccc12 79248769 YUJYOFIJOZHRIT-LBPRGKRZSA-N 339.355 1.551 0 40 EDAB Cc1cccnc1NC(=O)NC[C@@H]1CCN(CCN2CCOCC2)C1 89700582 QOHMMTXMBUSUQS-INIZCTEOSA-N 347.463 1.166 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)N1CC[C@H](Oc2nccs2)C1 585320871 WASZIBUEXKNSKH-JTQLQIEISA-N 335.385 1.144 0 40 EDAB CCOCCN[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccccc1)C(C)C 2569804 ZYRCZFNWEPUEFA-HOCLYGCPSA-N 335.448 1.781 0 40 EDAB CCOc1ccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@H]2C(=O)OC)cc1 13494526 JFJIGPZKTYYUGM-SIIHOXLZSA-N 346.383 1.742 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)[C@@H]4C[C@@H]4C)[C@H]3C2)cc1 19211712 JISCTOQYRNRPJY-DRBLLZIRSA-N 348.468 1.776 0 40 EDAB O=C(c1cnccn1)N1C[C@H]2CCc3nnc(-c4ccccc4)n3[C@H]2C1 19374410 BRTWRLRLGXJFKF-ZBFHGGJFSA-N 346.394 1.995 0 40 EDAB O=C(c1ccccn1)N1CC[C@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 19399894 OCTNMYDIUJROJN-AWEZNQCLSA-N 347.378 1.857 0 40 EDAB CN(CN1C(=O)C(=O)c2ccccc21)CN1C(=O)C(=O)c2ccccc21 19830918 KAUYGECTUHFBAZ-UHFFFAOYSA-N 349.346 1.292 0 40 EDAB O=C(c1cccs1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206903344 LNHLYSSFGCRBRV-UHFFFAOYSA-N 341.400 1.081 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2CCC[C@@]2(COc2ncc(C)cn2)C1 1888857062 CBVMOJIGNVZORJ-ZFWWWQNUSA-N 325.434 1.616 0 40 EDAB Cn1ncc2c(N3CCC[C@H](C(=O)N4CCSCC4)C3)ncnc21 1889111326 JOMCFDMOVRHTGI-LBPRGKRZSA-N 346.460 1.155 0 40 EDAB Cc1ncoc1C(=O)N1CCC2(CC(N(C)c3ccncn3)C2)C1 1848354171 HMWSMGQIHYZZDQ-UHFFFAOYSA-N 327.388 1.904 0 40 EDAB O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1cc(=O)c2ccccc2o1 238863626 LGGNYCWKLYYGRU-LLVKDONJSA-N 337.335 1.164 0 40 EDAB O=C(NCCn1nnc2ccc(F)cc2c1=O)c1ccc(F)c(F)c1 240122624 WDUNVGOOXJIUOH-UHFFFAOYSA-N 348.284 1.639 0 40 EDAB COc1ccc(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)c(OC)c1 2037983914 KUMRWZAMKXKCRP-HOCLYGCPSA-N 334.416 1.383 0 40 EDAB CNC(=O)NC[C@H]1CCC2(CCN(C(=O)C3(F)CC3)CC2)CO1 1565545666 JYDVKXWIBBBPIA-GFCCVEGCSA-N 327.400 1.205 0 40 EDAB COC(=O)[C@@H](C)NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 1907653 XWKTXAIXPJTINP-MNOVXSKESA-N 333.340 1.546 0 40 EDAB biogenic C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CN1)c1ccccc1F 40090996 JCGSVVQNZIEVQO-LBPRGKRZSA-N 340.358 1.953 0 40 EDAB C[C@H]1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)OCCO2 40105663 MEVIGWUWDNBNHI-ZDUSSCGKSA-N 340.445 1.611 0 40 EDAB O=C(Nc1nnc(C(F)(F)F)[nH]1)[C@@H]1CC(c2ccccc2)=NO1 50603520 NGXKAOIKLXKDAW-VIFPVBQESA-N 325.250 1.955 0 40 EDAB CC(C)c1noc([C@H](C)N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1 40496550 YCCZITKZPONFPC-OLZOCXBDSA-N 335.452 1.539 0 40 EDAB Cc1cnc2c(S(=O)(=O)N3CCCC[C@@H]3C(N)=O)cccc2c1 40489763 GAUDNZVRRSKYNT-CYBMUJFWSA-N 333.413 1.572 0 40 EDAB O=C(NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(=O)[nH]n1 40534186 KJYUZAADTLSYBF-CQSZACIVSA-N 329.356 1.258 0 40 EDAB Cn1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 40542957 MQFSNQGZJPUKPY-UHFFFAOYSA-N 341.411 1.432 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2cc(F)ccc2-n2cnnn2)CC1 20718115 JQNMDGFUQCOXAF-UHFFFAOYSA-N 347.350 1.217 0 40 EDAB Cc1ccnc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c1 29437719 MHHWEGLTHYYWGN-AWEZNQCLSA-N 341.346 1.588 0 40 EDAB Cc1ccc(-c2noc(CCC(=O)N3CCC(C(N)=O)CC3)n2)cc1 428158 ITTWDSFBZLMTNX-UHFFFAOYSA-N 342.399 1.702 0 40 EDAB Cc1ccc(-n2cc(C(=O)NC[C@H](C)N3CCOCC3)nn2)cc1 32650133 RBLOMJICKWSPFX-AWEZNQCLSA-N 329.404 1.026 0 40 EDAB COc1c(C)cnc(CNc2ncc(S(N)(=O)=O)s2)c1C 69453841 XIZMXTZOOAWGHX-UHFFFAOYSA-N 328.419 1.423 0 40 EDAB O=C1NCCN1C1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 52215199 RHTGTRXKXBQTHL-RDJZCZTQSA-N 348.491 1.657 0 40 EDAB Cc1ncc2c(n1)CN(CC(=O)N1CCc3sccc3C1)CC2 69452105 GGRVLSWYYKOZGC-UHFFFAOYSA-N 328.441 1.790 0 40 EDAB CCN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2F)CC1 57355104 NFMANGDLKHKNBS-YJBOKZPZSA-N 347.434 1.899 0 40 EDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCC(=O)NC(C)(C)C)c12 32900104 ACWDTGIYUTWUSS-UHFFFAOYSA-N 343.431 1.799 0 40 EDAB COc1cccc(N2CCN(C(=O)N[C@@H](C)Cn3cccn3)CC2)c1 46462711 IKIBGORKYZICTP-HNNXBMFYSA-N 343.431 1.812 0 40 EDAB CN(C(=O)Cc1cccc(O)c1)C1CCN(C[C@@H]2CCOC2)CC1 76083520 GQUKQZZBCSOOOW-INIZCTEOSA-N 332.444 1.894 0 40 EDAB C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[S@@](C)=O 76041480 YUQRQLZAJMJGKS-LZVRBXCZSA-N 334.235 1.711 0 40 EDAB COCCN1C(=O)/C(=C(\C)Nc2ccc(C)cc2)C(=O)NC1=S 105309201 YKNUZWROQCNJGP-ACCUITESSA-N 333.413 1.571 0 40 EDAB O=S1(=O)CC[C@@H](N(Cc2ccccc2)Cc2nnnn2C2CC2)C1 52828231 ZMWNFAPDBAGLHY-OAHLLOKOSA-N 347.444 1.197 0 40 EDAB CS(=O)(=O)Nc1ccccc1CNC(=O)c1ccc2c(c1)OCO2 46840660 FYNZSGMUDNPAKH-UHFFFAOYSA-N 348.380 1.717 0 40 EDAB C[C@H](NC(=O)N[C@H](C)c1nncn1C)c1ccc2c(c1)NC(=O)CO2 46962659 GDTQDWNYYZONEU-VHSXEESVSA-N 344.375 1.267 0 40 EDAB C[C@@H](NC(=O)NCCc1cnn(C)c1)c1ccc2c(c1)CCC(=O)N2 46986774 VMJTYBKORYHGBR-GFCCVEGCSA-N 341.415 1.908 0 40 EDAB CCc1noc(CCCC(=O)Nc2nnc(-c3ccccn3)[nH]2)n1 53528385 AFJAJTQLCFLMPM-UHFFFAOYSA-N 327.348 1.774 0 40 EDAB CCN(CC)C(=O)N1CCN(c2ncc(C(N)=O)cc2Cl)CC1 54058423 SSWTXXNWBGMVIC-UHFFFAOYSA-N 339.827 1.418 0 40 EDAB COC[C@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 2917285 BMJUBJHLCTZVFO-NSHDSACASA-N 328.372 1.259 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCn1cc(S(=O)(=O)N(C)C)ccc1=O 47368700 NMXSHJSLINNUEG-UKRRQHHQSA-N 342.461 1.694 0 40 EDAB CC(C)Cc1noc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)n1 42684609 RMOOGRICRSLOBX-AWEZNQCLSA-N 336.436 1.339 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 54703885 PLPRZBDPPKOEQQ-BBRMVZONSA-N 329.400 1.120 0 40 EDAB CCCn1cc(CN2CCCN(C(=O)c3csnn3)CC2)cn1 105833983 NOTHNCJEHMDRLX-UHFFFAOYSA-N 334.449 1.493 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)Cc3c(C)noc3Cl)CCO2)n1 76046687 QQCWKVCHGBRFKX-JTQLQIEISA-N 325.756 1.206 0 40 EDAB Cc1ccccc1OCC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24689370 BPZXUPXSIUDSBZ-CQSZACIVSA-N 340.445 1.304 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)CC2)C1(CC)CC 78346747 FBEQXRCASCDZFB-QWHCGFSZSA-N 332.466 1.410 0 40 EDAB CCOCCN1CCN([C@H](C)C(=O)Nc2cc(C)on2)C[C@@H]1CC 106777317 DVNSUJLVKUORLR-CABCVRRESA-N 338.452 1.743 0 40 EDAB COC(=O)C1(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CCCCC1 25171254 CVEVUQXHAUFNCE-ABAIWWIYSA-N 340.445 1.433 0 40 EDAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 20150396 NLZNOCHSXSJILW-ZBYUQBLASA-N 334.372 1.257 0 40 EDAB CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2N1C(C)C 107197080 HMMIBCLPKAILRH-ZACQAIPSSA-N 329.444 1.664 0 40 EDAB O=C(Nc1ncccc1O)C1CCN(c2ccc3nncn3n2)CC1 12546198 WDQILEWXFQQIMK-UHFFFAOYSA-N 339.359 1.080 0 40 EDAB O=C(CCC(=O)N1CCc2sccc2C1)Nc1c[nH]ccc1=O 56543996 WJTLVQYNDZTLPP-UHFFFAOYSA-N 331.397 1.740 0 40 EDAB NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 27915227 SYQCGIBSXDZISY-UHFFFAOYSA-N 348.380 1.138 0 40 EDAB Cn1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(N)=O 44759610 MGZYQJXXASDVPI-UHFFFAOYSA-N 337.445 1.371 0 40 EDAB CCCCNC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 27555803 KIVUQZFHTSRTIR-NSHDSACASA-N 325.434 1.001 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)NC1CCN(C(C)=O)CC1 44869675 RTGMSTCCEMVSPE-UHFFFAOYSA-N 342.399 1.622 0 40 EDAB CCOc1ccc(C(=O)NCC(=O)N2CCN(C3CC3)CC2)cc1 58208720 RKSKPBYSESABRU-UHFFFAOYSA-N 331.416 1.122 0 40 EDAB COc1ccc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1C 58264501 IZCAGKSWTMJNGT-GFCCVEGCSA-N 329.443 1.862 0 40 EDAB CCOc1ncccc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 44911317 HMZWQUNFMFBFFK-OAHLLOKOSA-N 333.432 1.807 0 40 EDAB COc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)cn1 44908663 WSRXRURXOYDZJT-CYBMUJFWSA-N 332.335 1.968 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)CCc1nnc(-c2ccccc2)o1 44940469 XZNVAZQLCLATAK-CQSZACIVSA-N 344.415 1.506 0 40 EDAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 58393278 CJHPDHDHCFRVQL-CQSZACIVSA-N 342.403 1.039 0 40 EDAB O=C(NC[C@H]1CCOC1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 48183540 QXUOZTPPRDXQFA-CVEARBPZSA-N 348.418 1.760 0 40 EDAB O=C(c1cccnc1-n1cncn1)N1CCN(C2CCCC2)CC1 45086109 OBBLNSYDIRISGP-UHFFFAOYSA-N 326.404 1.363 0 40 EDAB COc1c(CNCCNC(=O)COc2ccccc2)c(C)nn1C 58420019 XGJYKZUGWAVJCY-UHFFFAOYSA-N 332.404 1.022 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NC[C@@H]1CCOC1 48286984 WZPYOWZOBGPEPT-STQMWFEESA-N 340.445 1.829 0 40 EDAB Cc1cc(C)n2nc(C(=O)O[C@H](C)C(=O)N3CCC(C)CC3)nc2n1 12750826 YWCVUOPCAVPVFB-CYBMUJFWSA-N 345.403 1.545 0 40 EDAB CCc1ccc(OCC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 29205448 ZOIFXSJNJKJAGO-AWEZNQCLSA-N 340.445 1.168 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)NC[C@@H](O)CN1CCCCC1 48300631 GDVPSLNKCNSRIS-CQSZACIVSA-N 335.404 1.061 0 40 EDAB CCCn1nc(C(=O)OCC(=O)N2CCCC2)c2ccccc2c1=O 3485540 HXHOZNQOWVDUTD-UHFFFAOYSA-N 343.383 1.586 0 40 EDAB CN1CC(=O)N(C[C@H](O)COc2ccc(Br)cc2)C1=O 12997920 FFFKQVGUHPWLSB-JTQLQIEISA-N 343.177 1.083 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 12992890 PZDPUSKDDILOKZ-UHFFFAOYSA-N 340.427 1.958 0 40 EDAB Cc1cc(C)n(-c2cccc(NC(=O)[C@H]3CCS(=O)(=O)C3)c2)n1 69513552 YJJLUQUDHUYGNU-ZDUSSCGKSA-N 333.413 1.862 0 40 EDAB Cc1nc(C)c(C(=O)N2CCCN(Cc3nccn3C)CC2)s1 69878944 VBRYORGAXJJFOW-UHFFFAOYSA-N 333.461 1.842 0 40 EDAB O[C@@H](CN1CCN(c2ccc3nncn3n2)CC1)c1ccc(F)cc1 69814745 NRFYXGJLTQNVBN-HNNXBMFYSA-N 342.378 1.119 0 40 EDAB COC(=O)CCNC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 13688663 IZCOCGFUEQMFQW-UHFFFAOYSA-N 340.332 1.175 0 40 EDAB CN(CCNC(=O)[C@H]1CSCN1C(=O)C1CCCC1)C1CC1 69874881 HUYKEMBSIFOPHO-CQSZACIVSA-N 325.478 1.289 0 40 EDAB CC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 9193577 GRZFHDRYBSYMIQ-NHYWBVRUSA-N 330.384 1.791 0 40 EDAB COc1cccc([C@@H](CNC(=O)N[C@H](C)Cn2ccnc2)N(C)C)c1 65458049 VYHZTZKHCGHQGB-RHSMWYFYSA-N 345.447 1.882 0 40 EDAB CCC(=O)N1CSC[C@H]1C(=O)NCc1cnn(-c2ccccc2)c1 65474858 HBIKLHBJHHVEJK-HNNXBMFYSA-N 344.440 1.800 0 40 EDAB Cc1nc(C(C)C)sc1C(=O)NCCn1nc2ccccn2c1=O 65411656 XXEXGXLKUMQCQY-UHFFFAOYSA-N 345.428 1.814 0 40 EDAB C[C@@H](C(=O)NC(N)=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 65548233 NKWRUZXHTHVQKM-NSHDSACASA-N 347.394 1.664 0 40 EDAB COc1ncccc1CNCc1c(C)nn(C)c1N1CCOCC1 65595087 ABMSHYNYIQBIHH-UHFFFAOYSA-N 331.420 1.259 0 40 EDAB CCOc1nnc(CN2CCC[C@@H]2C(=O)NCC(F)(F)F)s1 65533443 MVJFUNBLNCMGNG-MRVPVSSYSA-N 338.355 1.580 0 40 EDAB COC[C@]1(C)NC(=O)N(Cc2cc(Cl)c3c(c2)OCO3)C1=O 66083453 RKJHHBQWIKGCJI-AWEZNQCLSA-N 326.736 1.526 0 40 EDAB O=C(C[C@H]1NCCN(CCO)C1=O)Nc1cc(Cl)cc(Cl)c1 6662386 KUQBVIPYKOKSAH-GFCCVEGCSA-N 346.214 1.115 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)N(C)CCN1CCOCC1 66149370 NZOAPFMVECOUIW-HOTGVXAUSA-N 327.469 1.555 0 40 EDAB C[C@@H](NC(=O)NCc1ccon1)[C@@H]1CN(Cc2ccccc2)CCO1 83233105 ABOBIZVFTWRAKM-PBHICJAKSA-N 344.415 1.763 0 40 EDAB COc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc2c1OCCO2 8936261 MMQPSRNGHBRSQR-UHFFFAOYSA-N 346.383 1.161 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(C(N)=O)c1 67731839 BSKCCWDOIZSELP-GFCCVEGCSA-N 335.429 1.215 0 40 EDAB CC(C)(C)NC(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 15843148 DCVGJLNMEMQCEP-UHFFFAOYSA-N 338.429 1.918 0 40 EDAB CCCn1nc(C(=O)/N=c2/sccn2C)c2ccccc2c1=O 16050428 PZEUPFHULCQFGH-WUKNDPDISA-N 328.397 1.948 0 40 EDAB O=C(Cc1cc(F)ccc1F)N[C@@H]1CCN(C2CCOCC2)C1=O 81086061 GLRMIENYPHJPOM-OAHLLOKOSA-N 338.354 1.403 0 40 EDAB CC(C)(C)n1ncc2c(=O)[nH]c(NCc3cccc(C(N)=O)c3)nc21 68881319 QEEBQNBLGZQUMY-UHFFFAOYSA-N 340.387 1.586 0 40 EDAB CN(C)C(C)(C)CNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C 69350307 SVCQTKWMOHWEJE-LLVKDONJSA-N 331.482 1.753 0 40 EDAB NC(=O)[C@H](NCC(=O)N1CCc2sccc2C1)c1ccccc1 69385484 RJTWQVINVKSVSD-MRXNPFEDSA-N 329.425 1.449 0 40 EDAB O=C(CCC(=O)N1CC[C@@H](Cc2ccncc2)C1)N1CCOCC1 96007950 CKCIEZONJLGVGG-INIZCTEOSA-N 331.416 1.112 0 40 EDAB C[C@H](NCC(=O)NC[C@@H]1COc2ccccc2O1)[C@@H](C)n1cccn1 84139624 VCIJHKJLUTYXHD-RRFJBIMHSA-N 344.415 1.378 0 40 EDAB CC(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)NC[C@@H]1CCCO1 9375985 CJLZHIJSRTVIGT-JSGCOSHPSA-N 344.415 1.529 0 40 EDAB O=C(CCn1cncn1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 97047593 PJAJAOBIKKRONE-LLVKDONJSA-N 337.786 1.856 0 40 EDAB CN1CCN(C(=O)[C@@H](C(=O)c2ccccc2)n2ccccc2=O)CC1 19810133 RZWIDUWTVQUJPL-QGZVFWFLSA-N 339.395 1.046 0 40 EDAB CN1CCCN(C(=O)Nc2ccc(CN3CCCC3=O)cc2)CC1 97051207 MTGNTEJDPYEQMT-UHFFFAOYSA-N 330.432 1.978 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccccc2Cl)C1 71799989 XZPOJJNZFKKYST-SMDDNHRTSA-N 343.832 1.675 0 40 EDAB Cn1cc([C@@H]2CCCN2CCNS(=O)(=O)c2ccccc2)cn1 71797179 SQPAKVQQDPKEFD-INIZCTEOSA-N 334.445 1.536 0 40 EDAB CC(C)c1nc([C@H]2CCCN(C(=O)CN3CCCNC3=O)C2)no1 72232366 YBRQNARVYZBTEX-LBPRGKRZSA-N 335.408 1.314 0 40 EDAB O[C@H](CN[C@H]1CCCN(c2cccnn2)C1)COCc1ccccc1 71876884 FSCRUUYXGYTQDI-ZWKOTPCHSA-N 342.443 1.613 0 40 EDAB O=C(CN1CSCC1=O)NCCc1nc(-c2ccccn2)cs1 71893141 GXWCUAVCIIROEX-UHFFFAOYSA-N 348.453 1.397 0 40 EDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OC[C@@H]2CCCO2)C1=O 71881726 VVCQCKJRESIUBQ-KSSFIOAISA-N 346.383 1.566 0 40 EDAB CCN(CCNC(=O)NC1CCC(O)CC1)C(=O)OC(C)(C)C 71803878 VCFNSMNGMUOPKO-UHFFFAOYSA-N 329.441 1.846 0 40 EDAB CC1=C(C)C[C@H](C(=O)NS(=O)(=O)c2ccc3nn[nH]c3c2)CC1 408497434 JHYDKFDSJQSAJL-LLVKDONJSA-N 334.401 1.899 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)N[C@@H]2CCCCc3ccccc32)C1 72277850 JKZNNWPZUVEWPZ-SJLPKXTDSA-N 330.476 1.999 0 40 EDAB CCCNC(=O)[C@H]1CCCN(C(=O)CCc2nc(C3CC3)no2)C1 71916130 QSSWXGZJRPOIOH-ZDUSSCGKSA-N 334.420 1.644 0 40 EDAB C[C@H](NC(=O)c1cccc(OC2CCCC2)c1)C(=O)N1CCOCC1 78716126 UMSXIMZIAJXEAN-AWEZNQCLSA-N 346.427 1.985 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nc2ccccn2n1 97164251 ZCXZVLMIXVOUHX-UHFFFAOYSA-N 348.432 1.999 0 40 EDAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCc1nccn1C 97142902 GRTBKZVKYCWXET-RDJZCZTQSA-N 341.459 1.782 0 40 EDAB CN(C)[C@H](CNC(=O)CN1CC[C@H]2OCCC[C@@H]2C1)c1ccccc1 97163439 JZEMOPQANNAVKP-GUDVDZBRSA-N 345.487 1.906 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H]1N(C)C 78896648 PLUSHZALKKHQKX-MFKMUULPSA-N 344.864 1.766 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(CC2(O)CCCCC2)C1 84304128 NPMDXJQHDMKTNH-MRXNPFEDSA-N 347.507 1.894 0 40 EDAB CC(C)n1ncc2cc(/C=C/C(=O)N3CCOC(C)(C)C3)c(=O)[nH]c21 84633043 FLMGJBOVJVVMQD-AATRIKPKSA-N 344.415 1.956 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)[C@H](N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 79471756 PFYMHPNALCYBLB-LULLPPNCSA-N 346.471 1.895 0 40 EDAB Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCCO)c(C)c1C 98067004 FKILEKNONCNSHM-UHFFFAOYSA-N 342.461 1.006 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-c2ccco2)[nH]c1=O 75125463 SMYMKINYWGRQFU-QWRGUYRKSA-N 329.356 1.361 0 40 EDAB CC(C)Cc1ccc(C(=O)CCC(=O)N2C[C@H](O)C[C@@H]2C(N)=O)cc1 89856503 AFMMJOBGZDMGAT-HZPDHXFCSA-N 346.427 1.295 0 40 EDAB C[C@@H](CNC(=O)N1CCNC(=O)CC1)c1nc(-c2ccccc2)no1 89910682 XPZHNZCMUVGUSJ-LBPRGKRZSA-N 343.387 1.372 0 40 EDAB Cc1ccc(-n2nnnc2SCC(=O)N2CCN(C)CC2)cc1C 22056555 ZIOXXSSEJBBZBK-UHFFFAOYSA-N 346.460 1.145 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)[C@@H](OC[C@@H]1CCCO1)C(C)C)CC2 65462975 CYCNMGAYKBAPTG-YCPHGPKFSA-N 336.436 1.238 0 40 EDAB CCCc1noc(CN2CCc3ncnc(N4CCOCC4)c3C2)n1 65513454 IUWHRKCWYKWVKB-UHFFFAOYSA-N 344.419 1.207 0 40 EDAB O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)N1CCC[C@@H]1CO 121208631 QYMLQNRREMDUPN-GFCCVEGCSA-N 330.306 1.713 0 40 EDAB CC(C)c1nnc(C(=O)NCc2cccc(N3CCOCC3)n2)s1 555945836 HJLOTVRKGWJBCE-UHFFFAOYSA-N 347.444 1.823 0 40 EDAB COCCOC(=O)c1c(C)n(C)c2ccc(OS(C)(=O)=O)cc12 2237208 VRXGWAZEUGUXRT-UHFFFAOYSA-N 341.385 1.628 0 40 EDAB biogenic O=C(O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1NCCO 217579341 KDNHYZWLGPMFIP-UHFFFAOYSA-N 342.417 1.400 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1)n1cncn1 548677324 STNYSTFZGYNVKD-NVXWUHKLSA-N 342.447 1.747 0 40 EDAB COc1ccc2nnc(CCC(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)n2n1 79487974 IJINLXMCNFKLJS-FRRDWIJNSA-N 327.388 1.394 0 40 EDAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(CCC(C)C)C2)s1 36365424 QYGZWPDHZYUFDT-JTQLQIEISA-N 326.422 1.518 0 40 EDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)Cc1ccccc1 71980122 OGNWYLKGYJYILW-OAHLLOKOSA-N 332.400 1.353 0 40 EDAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)Cc1ccccn1 72394824 RKJWBTBHIXKZQT-QGZVFWFLSA-N 325.412 1.976 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@@]2(N)CN)cc1 218627891 AXBGAARAMWESOR-IKGGRYGDSA-N 334.416 1.730 0 40 EDAB O=S(=O)(c1cnc2ccsc2c1)N1CC[C@H](c2nc[nH]n2)C1 573598871 MLYJYBVCCORXCE-VIFPVBQESA-N 335.414 1.593 0 40 EDAB COc1ccccc1CC(=O)N1CCC(c2cc(C(N)=O)[nH]n2)CC1 225560063 WVAHATXCINMZJZ-UHFFFAOYSA-N 342.399 1.466 0 40 EDAB Cc1cccc(OC[C@H](C)NS(=O)(=O)N2CCC[C@@H]2C(=O)O)c1 573798433 GPYNDANNWABPJY-GXTWGEPZSA-N 342.417 1.146 0 40 EDAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C)ccc1OCC(N)=O 49544779 UFCQLGDJABMKLX-SNVBAGLBSA-N 330.344 1.416 0 40 EDAB O=S1(=O)N[C@@H]2CN(Cc3cccs3)C[C@@H]2Oc2ccccc21 514290169 TZHDGOUDNZLQHX-OCCSQVGLSA-N 336.438 1.672 0 40 EDAB biogenic,in-vitro COc1ccc(NC(=O)[C@@H]2COCCN2C2CCCC2)cc1CO 193594792 IMENSIPYECKUMS-INIZCTEOSA-N 334.416 1.769 0 40 EDAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCc2nn(C)c(=O)cc2C1 225788959 SFCMNOKNVAKHDZ-LBPRGKRZSA-N 347.802 1.730 0 40 EDAB Cc1cc(C)n2nc(S(=O)(=O)CCc3scnc3C)nc2n1 195088146 MNYYRUSSKWMNNX-UHFFFAOYSA-N 337.430 1.522 0 40 EDAB O=S(=O)(C[C@H]1CCCCO1)NCc1noc(-c2ccccc2)n1 193706431 STCTXJZCWSVEIZ-CYBMUJFWSA-N 337.401 1.725 0 40 EDAB C[C@@H](CCS(C)(=O)=O)NC(=O)NCC1(C)Cc2ccccc2C1 94040703 WMOCCSCVSDQABA-ZDUSSCGKSA-N 338.473 1.914 0 40 EDAB O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(C4CCC4)C3)N2C1 514288986 HUASUBIYAKQMMD-RBUKOAKNSA-N 327.472 1.544 0 40 EDAB biogenic,in-vitro NC(=O)N1CC[C@@H](NC(=O)CCc2ccc(Br)cc2)C1 96451290 GSIOQLBWQAKICY-GFCCVEGCSA-N 340.221 1.651 0 40 EDAB O=C(NCC1CC1)[C@H]1C[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)O1 96183599 DVTAEUZMCDBFOO-RLFYNMQTSA-N 344.411 1.673 0 40 EDAB O=C(N1CCOCC1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96158294 IZOUSKKWXGRYHH-QGZVFWFLSA-N 331.420 1.221 0 40 EDAB O=C(c1ccoc1)N1CCC[C@]2(COCCN(c3ncccn3)C2)C1 96076557 WTOPJVPNWNIAST-SFHVURJKSA-N 342.399 1.829 0 40 EDAB CNC(=O)c1cc2c(nc1NC(C)C)CCN(c1ccncn1)CC2 96086802 PMCSVPAHNOIOIF-UHFFFAOYSA-N 340.431 1.657 0 40 EDAB CS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1ccc(N)cc1 96519723 SEIPMYPCLVQEOM-DTWKUNHWSA-N 328.615 1.634 0 40 EDAB CO[C@H](C)c1noc(CN2CCCN(Cc3cccnc3)CC2)n1 96455925 FRCFZQWNVFMTMO-CQSZACIVSA-N 331.420 1.880 0 40 EDAB O=C(NC[C@H]1CN(c2ccccc2)C(=O)O1)c1cnn2c1OCCC2 90584008 SRQCDRKETNKZDH-ZDUSSCGKSA-N 342.355 1.421 0 40 EDAB COc1ccc(C2(C(=O)NCc3cnc(C)nc3N)CCC2)cc1 583144404 DAQQTBNBXURBAX-UHFFFAOYSA-N 326.400 2.114 0 40 EDAB Cc1nc2ncnn2c(N[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1C 96419428 VKLWCJQHEZHJER-OAHLLOKOSA-N 336.399 1.954 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)[nH]n1 96245899 IUHXHKNJTUKHMK-LSDHHAIUSA-N 325.372 1.129 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2csc(C)n2)[nH]n1 96081317 AMJNHDMKVFPILQ-KGLIPLIRSA-N 345.428 1.499 0 40 EDAB Cc1noc(COCC(=O)Nc2ccc(Br)c(C)n2)n1 96444393 RRRHEOLNJGTLAA-UHFFFAOYSA-N 341.165 1.999 0 40 EDAB Cc1cc2ncn(CC(=O)NC[C@H]3CCS(=O)(=O)C3)c2cc1C 96475553 XUOZCMJZRFBPOS-CYBMUJFWSA-N 335.429 1.204 0 40 EDAB CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)NCC2CCC2)C1 583651937 WLAPCIGCODBQKY-ZDUSSCGKSA-N 348.465 1.342 0 40 EDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)CCCN1CCCC1)CC2 583650954 CCSRDUVNTINTES-AWEZNQCLSA-N 344.477 1.077 0 40 EDAB CC[C@]1(C(=O)OC)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230803 ZGXVQNNROBNADB-JRATXPSKSA-N 334.347 1.023 0 40 EDAB Cc1ccc(N2CC3(CC[C@@H](CNc4ncccn4)CO3)C2)nn1 247943760 VKYLDRVBTDHLPE-AWEZNQCLSA-N 326.404 1.673 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)CCO1 257220611 DLLVOXRZARPZOI-ZDUSSCGKSA-N 340.387 1.399 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)c2ccnc(OCC3CC3)c2)cc1 253403050 PHDGGVMOCGCUCQ-UHFFFAOYSA-N 347.396 1.770 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N[C@H]1CCCN(c2ccccn2)C1 257312126 UMPIIEIOHMZYFO-ZDUSSCGKSA-N 335.433 1.071 0 40 EDAB CN1C(=O)CO[C@H]2CCN(C(=O)c3ccc4ccccc4n3)CC[C@@H]21 257285111 PFSIOPUTVKPZDZ-IRXDYDNUSA-N 339.395 1.697 0 40 EDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)CCn2ccnc2)n1 257270204 MTDXBEZXYYXJCU-INIZCTEOSA-N 342.403 1.063 0 40 EDAB CN(C)Cc1cccc([C@@H]2CCCN2C(=O)CCN2CCOCC2)n1 257199660 AAIQMEBQUZJRPR-SFHVURJKSA-N 346.475 1.529 0 40 EDAB C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc2c(c1)B(O)OC2 584965468 PAIHZYLQPKCVRE-JTQLQIEISA-N 329.186 1.357 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccnn3C)CCO2)n1 257343696 ZUAWRBHWBRQYMM-MRXNPFEDSA-N 329.404 1.403 0 40 EDAB C[C@H](CCS(C)(=O)=O)NC(=O)N1CCC=C(Br)C1 252490025 KHPABRNTFRLMED-SECBINFHSA-N 339.255 1.504 0 40 EDAB CC[C@H](NC(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1)[C@@H](O)C(C)C 585132161 POWSHMFANOVSDR-YXWQFLTLSA-N 329.437 1.599 0 40 EDAB Cc1c(C(=O)N2CCN(C)C[C@@H](C(N)=O)C2)[nH]c2ccc(F)cc12 257294077 QSHUNPBLSQYGIM-LLVKDONJSA-N 332.379 1.105 0 40 EDAB COC[C@@]1(C(=O)O)CCN(C(=O)c2ccc(F)cc2OC(F)F)C1 262923788 GKLXJHNUOSMHIS-OAHLLOKOSA-N 347.289 1.990 0 40 EDAB CC1(C)CC[C@@H](CNC(=O)Cn2cc(C(=O)O)nn2)c2ccccc21 263314036 HBGYRTRCXOSGBL-LBPRGKRZSA-N 342.399 1.948 0 40 EDAB O=C(NCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)c1cccs1 262394684 BSOXEJZDOFVSIL-TUAOUCFPSA-N 336.413 1.722 0 40 EDAB O=C(O)[C@H](O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1610722941 FVSSPERADBNFFM-OAHLLOKOSA-N 339.413 1.022 0 40 EDAB Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2ccc(F)s2)cn1 597555420 QDSFJMNECXBLGS-LADRHHBVSA-N 327.406 1.567 0 40 EDAB CC(C)Oc1cccc(CNC(=O)CN[C@@]23CCC[C@@H]2NCC3)c1 1615059278 ZEZFTMVZCAWNRQ-PKOBYXMFSA-N 331.460 1.964 0 40 EDAB O=S(=O)(Cc1noc([C@H]2CNCC23CCCCC3)n1)C1CC1 1615059256 YISJZYQRKKDBSH-GFCCVEGCSA-N 325.434 1.784 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 575406381 XIINCGBAMMVSPC-LBPRGKRZSA-N 344.408 1.573 0 40 EDAB O=C([C@@H]1C[C@H]1F)N1CCc2[nH]nc(-c3cnn(CC4CC4)c3)c2CC1 585110406 QJYKVNVKGXFPPG-HUUCEWRRSA-N 343.406 1.968 0 40 EDAB O=C(Cc1cccc2ccccc12)N1CCC(O)(c2nn[nH]n2)CC1 585139781 SSSMRZPSVWFYBK-UHFFFAOYSA-N 337.383 1.406 0 40 EDAB CN1C(=O)C2(CCOCC2)c2cc(NC(=O)c3ncn(C)n3)ccc21 585106381 RNZHVUCVRSFQER-UHFFFAOYSA-N 341.371 1.092 0 40 EDAB CNC(=O)CC[C@]1(O)CCCN(C(=O)c2ccc3ncccc3c2)C1 585277677 KELJJZCBJIKMSP-LJQANCHMSA-N 341.411 1.728 0 40 EDAB Cc1nnc2ccc(N3CCN(CC4(O)CCCCC4)CC3)nn12 71876894 VSWVTHHUWNGHCE-UHFFFAOYSA-N 330.436 1.250 0 40 EDAB CN(C(=O)c1ccc(=O)[nH]c1)[C@H]1CCN(c2ccccc2Cl)C1=O 71896598 VUPSBGLVRHRPIE-AWEZNQCLSA-N 345.786 1.906 0 40 EDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1ccn(Cc2ccccc2)n1 96456560 RMZXIZSWRXYFBH-MRXNPFEDSA-N 341.415 1.920 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCN(c2ccccn2)C1 195433314 HHGXXEBLGZHWEN-AWEZNQCLSA-N 347.440 1.956 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 5016593 USXJRKVZMKMHMI-UHFFFAOYSA-N 332.381 1.302 0 40 EDAB CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 16610207 NQENNHQRORJYHS-NSHDSACASA-N 344.433 1.239 0 40 EDAB CCOC(=O)CC[C@H](C(=O)OCC)c1nc2ccccc2[nH]c1=O 17060333 XUIFHSKWMXEJFV-NSHDSACASA-N 332.356 1.913 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@]3(CC=CNC3=O)C2)c1C 19524010 JURWFWWSGSPXDS-OAHLLOKOSA-N 338.433 1.016 0 40 EDAB CCOC(=O)N1CCc2nc(NC(=O)c3cc(C)n(C)n3)sc2C1 9001932 MGTQIMUICXFJEP-UHFFFAOYSA-N 349.416 1.952 0 40 EDAB CC[C@@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O 251257406 CJDRUOGAGYHKKD-KYXHFJHGSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro Cc1ncc(C(=O)N2CCOCC2)c(CCNC(=O)C2CCCC2)n1 19697285 ZMHCFOGMRVVYJG-UHFFFAOYSA-N 346.431 1.106 0 40 EDAB CN(CCCCO)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCOC2 585121892 FAMSIMLGNNSGHV-ICSRJNTNSA-N 346.471 1.756 0 40 EDAB CC(C)CCNC(=O)NC(=O)Cn1ncc(Cl)c(Cl)c1=O 3279268 YCGJELNFHBRXOH-UHFFFAOYSA-N 335.191 1.422 0 40 EDAB COc1cc(C(=O)OCC(=O)N2CCCC2=O)cc(OC)c1OC 3511631 NIRHGCNNYWZCME-UHFFFAOYSA-N 337.328 1.018 0 40 EDAB O=C(c1ccccn1)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888850351 FQQFLVADVREFOC-GASCZTMLSA-N 335.411 1.957 0 40 EDAB O=C(COc1ccc(F)cc1)NCC1(O)CSCCSC1 1888863750 IEGUUXDMROZQRC-UHFFFAOYSA-N 331.434 1.532 0 40 EDAB O=C([C@H]1CN(c2ccnc(C(F)(F)F)c2)CCO1)N1CCCC1 1889096267 QJRILDGCWCEWPM-GFCCVEGCSA-N 329.322 1.928 0 40 EDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1csc(C)n1 28924704 TWAOINORZHINTL-OAHLLOKOSA-N 330.413 1.788 0 40 EDAB Cc1ccccc1CN1CCCN(C(=O)c2nccnc2N)CC1 31765696 HDVVYTMBRBJALD-UHFFFAOYSA-N 325.416 1.715 0 40 EDAB COc1nccnc1N(C)CC1CCN(C(=O)c2ccncc2)CC1 1776008535 JXCCKXIMRZXYEG-UHFFFAOYSA-N 341.415 1.869 0 40 EDAB Cc1nn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1Br 28576240 UAGSYEKFPVMWJA-IUCAKERBSA-N 330.226 1.898 0 40 EDAB COc1cnc(O[C@H]2CCN(c3ccc(S(C)(=O)=O)cc3)C2)nc1 2086992544 AGYBKTFFALMDOQ-ZDUSSCGKSA-N 349.412 1.546 0 40 EDAB COc1cnccc1C(=O)N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 1565544997 WJQISFKTMVSSRY-HOTGVXAUSA-N 331.416 1.416 0 40 EDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OCC)cc1 4784584 GTYAFBVRAPDKTJ-CQSZACIVSA-N 329.360 1.924 0 40 EDAB CNC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22908110 JROFRFDKSVFCCB-OAHLLOKOSA-N 343.452 1.710 0 40 EDAB CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22908113 JROFRFDKSVFCCB-HNNXBMFYSA-N 343.452 1.710 0 40 EDAB Cc1ccc(Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 23115343 DOYAWKBUIWRRFQ-UHFFFAOYSA-N 339.399 1.380 0 40 EDAB CN([C@@H]1CCCN(Cc2cc(C3CC3)on2)C1)S(=O)(=O)C1CC1 2086889126 CFJCQMQHHNFFAN-CQSZACIVSA-N 339.461 1.940 0 40 EDAB CC[C@@](C)(CNC(=O)c1cnn(-c2ccccc2)n1)N1CCOCC1 40089359 MZBQUMLGEDTFNI-SFHVURJKSA-N 343.431 1.498 0 40 EDAB CCN(CC)CCOC(=O)c1ccc(NC(=O)/C=C\C(=O)O)cc1 30885328 DTVXJINHUJSUDF-KTKRTIGZSA-N 334.372 1.765 0 40 EDAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)NCC(C)C)c1C 50515932 QZKOHYWAZQPYIY-UHFFFAOYSA-N 344.481 1.303 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(Cc2ccccn2)C2CC2)n(C)c1 40476683 FKOFZBJRMKIVJL-UHFFFAOYSA-N 348.428 1.133 0 40 EDAB CN(C)C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101420724 LBJDIAGKFWHPTR-QUSNUVHPSA-N 338.407 1.493 0 40 EDAB C[C@@H]1CCCN(C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)C1 20893478 MNDMCTLNLYCUCD-GFCCVEGCSA-N 335.429 1.326 0 40 EDAB Cn1cnc(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 69098068 ZVAAYTJHCWFZGS-OAHLLOKOSA-N 334.445 1.363 0 40 EDAB Nc1nccnc1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 21381800 ZSMXMORLKVHISJ-UHFFFAOYSA-N 331.807 1.670 0 40 EDAB NC(=O)N1CCC(C(=O)N2CCN(Cc3ccsc3)CC2)CC1 52410267 YFYCLUBAICNCQJ-UHFFFAOYSA-N 336.461 1.183 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2oc3c(F)cccc3c2C)CC1 46448998 VVXVVAVZZOXZOC-UHFFFAOYSA-N 347.390 1.821 0 40 EDAB N#Cc1ccccc1OCCN1CCN(C(=O)N2CCOCC2)CC1 60466967 SMXOAACDSNXFHR-UHFFFAOYSA-N 344.415 1.007 0 40 EDAB CCNc1nc(NCC)nc(OCCOC(=O)c2ccccc2)n1 4904906 BFDNTEZZMFANIO-UHFFFAOYSA-N 331.376 1.971 0 40 EDAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CCC(O)CC1 41295522 SQTKXSGZRJELET-UHFFFAOYSA-N 343.427 1.823 0 40 EDAB Cc1cc(C(=O)NCCNC(=O)Nc2cccc(Cl)c2)nn1C 2740963 YUBVWHVGWHZAAV-UHFFFAOYSA-N 335.795 1.933 0 40 EDAB O=C(OCCc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 21845168 ZHGQVUUFZFXNPR-UHFFFAOYSA-N 332.381 1.270 0 40 EDAB COc1ccc(NC(=O)[C@H](CCSC)NC(N)=O)cc1OC 8327499 VZZIYQZVJFVVOK-JTQLQIEISA-N 327.406 1.432 0 40 EDAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2nncs2)c(C)c1 53067022 VBONVRGQLCLHKJ-UHFFFAOYSA-N 347.444 1.972 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)CCOCc3ccccc3)CCO2)n1 76045005 JPQRPYHZNSEVRV-HNNXBMFYSA-N 330.388 1.620 0 40 EDAB CCCn1nc2c(cc1=O)CN(CC(=O)Nc1cccnc1)CC2 76064560 LQNHJSZZOQLWNM-UHFFFAOYSA-N 327.388 1.045 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2[nH]1 9548164 OFOVDEYNNCUMPV-UHFFFAOYSA-N 337.788 1.988 0 40 EDAB COc1ccc(-c2n[nH]c(SCCN3C(=O)CCC3=O)n2)cc1 23055461 JIJYKENIBBZEGC-UHFFFAOYSA-N 332.385 1.721 0 40 EDAB O=C(CN1CCN(C(=O)NC2CCCC2)CC1)Nc1ccccc1 23390466 ZEGGIXDLIBZBMJ-UHFFFAOYSA-N 330.432 1.895 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ccncc3)CC2)c1C 24086060 GACBNSCAQIQJPZ-UHFFFAOYSA-N 342.399 1.776 0 40 EDAB O=C(Nc1ccccc1NCC(=O)N1CCNC1=O)c1ccccc1 24661618 JNKNUCAWMJLHST-UHFFFAOYSA-N 338.367 1.903 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cc1ccc(Cl)cc1 24689707 ORYAIGZIDMNRSC-CQSZACIVSA-N 344.864 1.813 0 40 EDAB C[C@H](CO)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 106090572 JNBZVPSBWAHCQJ-IJLUTSLNSA-N 325.384 1.942 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(O)nc2ccccc12 106517162 VXDQTZUYRFRBKT-QWHCGFSZSA-N 327.384 1.533 0 40 EDAB COc1cccc(CN2CCC3(CC2)CC(NS(C)(=O)=O)C3)c1 108525183 SLPCWHCRAXZWPD-UHFFFAOYSA-N 338.473 1.989 0 40 EDAB CCNC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1CCC(N)=O 25246389 IAQSDUSMYVSEEP-VIFPVBQESA-N 337.405 1.030 0 40 EDAB O=C(CNC(=O)NCCC(=O)N1CCCCC1)Nc1ccccc1 56408689 ARSWSQSOHOUMRV-UHFFFAOYSA-N 332.404 1.327 0 40 EDAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)[C@H]1CC(=O)N(CC2CC2)C1 56954521 VVAAFDGPGDBZSF-DZGCQCFKSA-N 332.404 1.259 0 40 EDAB CC(C)CNC(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 105134312 SXZHLAHAPGPKTE-UHFFFAOYSA-N 348.428 1.392 0 40 EDAB CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NC)c1 53165194 MXDFIOCSDJJJKU-UHFFFAOYSA-N 348.424 1.923 0 40 EDAB CCOC(=O)CNC(=O)C[C@@H](C(=O)O)c1ccc(OC(C)C)cc1 2056667 LKONYZBZHMONHE-CQSZACIVSA-N 337.372 1.711 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)N[C@@H](C(N)=O)c1ccccc1 44771285 UVRHQGUPWTUJBO-CQSZACIVSA-N 325.434 1.312 0 40 EDAB C[C@]1(c2ccccc2F)NC(=O)N(Cc2cccc(C(N)=O)c2)C1=O 58191264 RNOUGAWCAWHNJL-GOSISDBHSA-N 341.342 1.892 0 40 EDAB CC(C)c1ccccc1OC[C@@H](O)CN1C(=O)[C@H]2CCCN2C1=O 44891885 AVBMGQHVTOESNW-DZGCQCFKSA-N 332.400 1.976 0 40 EDAB C[C@@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1cccnc1 44868952 HZOYWCOOBSHGPH-GFCCVEGCSA-N 333.413 1.539 0 40 EDAB Nc1nccnc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 58244987 QOAKMDOZNJSEGR-UHFFFAOYSA-N 343.456 1.902 0 40 EDAB C[C@H](CNC(=O)CSc1nnnn1C)c1nc2ccccc2s1 58290246 DQQPYYCQLMUQFQ-SECBINFHSA-N 348.457 1.832 0 40 EDAB CCCn1c(=O)c2ccccc2n2c(S[C@H]3CCOC3=O)nnc12 3375628 UPALOMOICDVUPH-LBPRGKRZSA-N 344.396 1.862 0 40 EDAB CC[C@H]1CN(C(=O)CSc2nnnn2-c2ccc(C)cc2)CCO1 58356137 NXIWAZUHJMTJQQ-AWEZNQCLSA-N 347.444 1.700 0 40 EDAB C[C@H](OC[C@H]1CCCCO1)C(=O)NCCC(=O)Nc1ccccn1 58393248 PREPLYXGSVNIAN-UONOGXRCSA-N 335.404 1.501 0 40 EDAB Cc1ccc([C@@H](CNC(=O)CN(C)c2cnccn2)N(C)C)cc1 58343848 LZUXHFPIBIRSJR-MRXNPFEDSA-N 327.432 1.640 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cc2cccc(F)c2)CC1 58391667 DBDNDPYNZZQHDX-MRXNPFEDSA-N 333.407 1.309 0 40 EDAB Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)c1Cl 27949882 WGOKOXPTDURGAM-UHFFFAOYSA-N 343.792 1.323 0 40 EDAB COCCn1cc(C(=O)NCCc2c(F)cccc2F)ccc1=O 48279785 XRMPKBGFJRNJQN-UHFFFAOYSA-N 336.338 1.745 0 40 EDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 45263209 OQEPOLREQHPBBN-CYBMUJFWSA-N 347.415 1.226 0 40 EDAB CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H]3CCOC3)cc2C[C@@H]1C 48363453 IUBUVYGOJLOBIK-AAEUAGOBSA-N 338.429 1.299 0 40 EDAB CCOc1cccc(CNC(=O)[C@H]2CCCN2S(C)(=O)=O)c1 48302291 OAUHUMZEZUXMCP-CQSZACIVSA-N 326.418 1.126 0 40 EDAB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@@]1(CO)C=C[C@H]2O1 408917979 DRLMDZNDXXAERA-BLTAXRJOSA-N 340.162 1.799 0 40 EDAB O=C(CSc1ncnc2nc[nH]c12)NCc1ccc2c(c1)OCO2 13549907 JEBDEEYAAYKJKB-UHFFFAOYSA-N 343.368 1.490 0 40 EDAB CNC(=O)CN(C)S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl 8499076 OLTOHZVULCIXTJ-UHFFFAOYSA-N 339.244 1.977 0 40 EDAB COc1cccc2[nH]c3c(=O)n(CCCN4CCOCC4)cnc3c12 13639080 BAANWKDAXOKASN-UHFFFAOYSA-N 342.399 1.609 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C(N)=O)cc1 9002269 MKEJGSIJLTXWLO-UHFFFAOYSA-N 340.382 1.434 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@@H](n2ccnc2)C1 69659975 ZEQKFNNUPPXRJH-LLVKDONJSA-N 327.310 1.962 0 40 EDAB COc1ccc(OC[C@H](O)CN2CCCC[C@@H]2Cn2cncn2)cc1 69629781 LVIDYZYQVXNFBJ-HZPDHXFCSA-N 346.431 1.581 0 40 EDAB COC[C@](C)(NC(=O)c1ccc(Br)cc1Cl)C(N)=O 69814399 SBZQDOHHKXHOOJ-LBPRGKRZSA-N 349.612 1.723 0 40 EDAB Cn1cc(CN2CCCN(C(=O)COc3cccc(F)c3)CC2)cn1 69842305 SXECHQVJNPRPKB-UHFFFAOYSA-N 346.406 1.673 0 40 EDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1n[nH]c2ccccc12 6370734 UOKSBRGFBHAIQT-UHFFFAOYSA-N 344.352 1.519 0 40 EDAB C[C@@H]1CN(C[C@](C)(O)c2ccccc2)CCN1Cc1nccn1C 69849156 UBABIKQPKFHGIB-APWZRJJASA-N 328.460 1.834 0 40 EDAB CCOc1ccc([C@H](C)NC(=O)Nc2cnn(CC(N)=O)c2)cc1 65440265 SFSBPOKVMDZVIP-NSHDSACASA-N 331.376 1.650 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)[C@H]1Cc3cc(Cl)ccc3O1)CC2 65463423 GTLXZDNLZTUUQV-TZMCWYRMSA-N 332.791 1.675 0 40 EDAB C[C@@H](C(N)=O)N1CCN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 69895530 XGIMKYOXUWXONG-NEPJUHHUSA-N 335.473 1.505 0 40 EDAB COc1ccccc1-c1nc2s/c(=C/c3ccco3)c(=O)n2n1 6453585 DBMGSTCAAGBHNU-UKTHLTGXSA-N 325.349 1.967 0 40 EDAB O=C(C=C(C1CC1)C1CC1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1 69742355 QDGNYKISWMHKRY-JKSUJKDBSA-N 338.473 1.110 0 40 EDAB COC(=O)C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)OC 14162593 VDSLWLITLYIBEZ-RQYMUSGFSA-N 338.404 1.359 0 40 EDAB CC(C)N(CC(N)=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 14181705 SZGIJQDWDOOODG-UHFFFAOYSA-N 325.217 1.878 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)COCC(F)(F)F)CC2)n1 69740112 CTVWJWQCVWYNDO-UHFFFAOYSA-N 348.325 1.021 0 40 EDAB Cn1ncc2c(N3CCC(C(=O)N4CCCCC4)CC3)ncnc21 14219453 MBTAQQVOVPQKBH-UHFFFAOYSA-N 328.420 1.592 0 40 EDAB O=C1[C@H]2ON3CCOC[C@H]3[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 5512449 QNBXMUGKYKVTDB-TUAOUCFPSA-N 342.273 1.209 0 40 EDAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCc2nnc(N)cc2C1 69919280 OAIUGVIKOOIWBB-UHFFFAOYSA-N 328.420 1.826 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccnc1Cl 69950470 HMNUJFAHCBIFAG-ZDUSSCGKSA-N 338.839 1.408 0 40 EDAB CC(C)Cc1nc(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)no1 67097230 MZZZYCPAUKCPIY-UHFFFAOYSA-N 342.355 1.759 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CN1CCC(O)CC1)CC2 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O=C1CN(CC(=O)Nc2nc3ccccc3n2-c2ccccc2)C(=O)N1 71893282 KRCXULPWRVBTOG-UHFFFAOYSA-N 349.350 1.516 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3ccc(C)nc3C)CC2)n1 71819952 UBVCPZLAFRQHGV-UHFFFAOYSA-N 327.388 1.459 0 40 EDAB COC(=O)C[C@@H](NC(=O)C(=O)Nc1cnccc1C)c1ccccc1 71857623 ZACFUFTZLYXYCB-CQSZACIVSA-N 341.367 1.749 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCCN(C(=O)c2ccncc2)CC1 71811829 BGWLROQQBDTWDW-QGZVFWFLSA-N 338.411 1.456 0 40 EDAB CCOc1cccc2c1CC[C@@H]2NC(=O)N1CCS(=O)(=O)CC1 71803983 DGJGVRBNBJVVGI-AWEZNQCLSA-N 338.429 1.513 0 40 EDAB O=C(NCC[S@@](=O)c1ccccc1)c1ccccc1-n1cnnn1 71893469 HITYRFQZEBBOIK-DEOSSOPVSA-N 341.396 1.200 0 40 EDAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCCC[C@@H]1Cn1cncn1 71876268 HUGLPPIZXMYJJV-ZIAGYGMSSA-N 332.408 1.846 0 40 EDAB COc1ccc(CCN2CCN(c3ncnc4[nH]cnc34)CC2)cc1 71836878 NFRBFOALSOIJJQ-UHFFFAOYSA-N 338.415 1.726 0 40 EDAB COC(=O)[C@@H](O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1 83884277 QBRIZFFRFKRSMH-HNNXBMFYSA-N 341.791 1.491 0 40 EDAB CCN1N=C(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)CC1=O 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336.816 1.478 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC(c3csc(N)n3)CC2)cn1 72368845 ZENMYOJVQFMADU-UHFFFAOYSA-N 327.435 1.027 0 40 EDAB COc1ccccc1[C@H](C)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 32895547 PYOGNHBQQGHPAF-AVGNSLFASA-N 328.434 1.700 0 40 EDAB Cc1cc(N2CCC(c3ncncc3S(C)(=O)=O)CC2)ncn1 72368983 NJDBOTOEQKKZMM-UHFFFAOYSA-N 333.417 1.363 0 40 EDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)/C=C/c1ccc2c(c1)OCO2 79042328 RKWWJANVMFAYCG-WAFBPQNNSA-N 339.413 1.710 0 40 EDAB CCS(=O)(=O)NCCN(CCO)[C@H]1CCCc2ccccc21 79311570 DVGNTDBIPLERHE-INIZCTEOSA-N 326.462 1.298 0 40 EDAB Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N2 40386769 IENZBYAUICJGTF-MRVPVSSYSA-N 337.742 1.976 0 40 EDAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(Cc2ccon2)CC1 72723395 PITQTOXMGDNHOX-SFHVURJKSA-N 340.427 1.812 0 40 EDAB COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1O 40268157 RXAMGPMJJKAKEW-NSHDSACASA-N 342.351 1.995 0 40 EDAB O=C1NC[C@]2(CCCN(C(=O)c3[nH]cnc3-c3ccccc3)C2)O1 72168032 ATRHNCZQUMJHCR-KRWDZBQOSA-N 326.356 1.791 0 40 EDAB Cc1ccncc1S(=O)(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1 566903789 LUAPYAAXMYXCCN-PBHICJAKSA-N 345.424 1.688 0 40 EDAB Cc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(N2CCCC2)n1 49410892 JXVXEAWHPGBEFF-UHFFFAOYSA-N 330.363 1.930 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(C)=O)CC1 44874855 HRQKKENAKPTSHZ-UHFFFAOYSA-N 328.372 1.185 0 40 EDAB O=S(=O)(NCc1ccnc(-c2cccs2)c1)N1CCOCC1 225653788 YLFYJJFQCPVLKK-UHFFFAOYSA-N 339.442 1.477 0 40 EDAB Cc1ccc2cnn(CCCNC(=O)[C@@H]3CSCCC(=O)N3)c2c1 226753212 MIIQJQSXXQUMRS-AWEZNQCLSA-N 346.456 1.473 0 40 EDAB Cc1cnc(C)c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1 195563797 YJUYQIHVLPVFLF-HNNXBMFYSA-N 331.464 1.663 0 40 EDAB O=C(NCc1ccc(CO)o1)c1ccc(O[C@H]2CCSC2)nc1 225716970 DEACEPKVTHYPLM-AWEZNQCLSA-N 334.397 1.981 0 40 EDAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)c1C 223295292 NCQQYRXONHOIJP-UHFFFAOYSA-N 334.397 1.968 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC[C@H](O)c2ccccc2)C1 96483559 AKMRXYSPWSLYTR-FMKPAKJESA-N 326.462 1.922 0 40 EDAB Cn1nc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)ccc1=O 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0 40 EDAB C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@H]1[C@@H]2c3ccccc3C[C@H]21 230310127 PYWGKNBGMBEGCL-BNEJOLLZSA-N 343.471 1.811 0 40 EDAB Cc1ccc(N2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@H]3C2)nn1 96043410 NFXCYMMMVDCLED-BZUAXINKSA-N 330.432 1.543 0 40 EDAB Cc1noc([C@@H](C)NS(=O)(=O)c2c(C)csc2C(=O)O)n1 583750875 QVDCKVICBPWOQM-ZCFIWIBFSA-N 331.375 1.486 0 40 EDAB Cn1cc(CN2CCC[C@@]3(COCCN(c4nncs4)C3)C2)cn1 96049665 XKOAWRZZHTYEIZ-MRXNPFEDSA-N 348.476 1.391 0 40 EDAB Cc1cccc(CNC(=O)CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1 583614697 FBIJJHJOPHEWAC-KZNAEPCWSA-N 332.444 1.473 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2coc(C3CCC3)n2)C1 583619639 RIPRENRLYGCAHM-YPMHNXCESA-N 331.376 1.971 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@H]2OCCC[C@]2(COCC2CCC2)C1 96040336 XGVNUBWUTUTJKW-HZPDHXFCSA-N 346.493 1.481 0 40 EDAB COc1ncccc1CN1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 96246204 GKJJHBZLWLIMBF-GDBMZVCRSA-N 325.416 1.839 0 40 EDAB Oc1nc2ccccc2cc1CN1CCC[C@@](O)(Cn2ccnn2)C1 583827891 PZNOUPLHEYJVBT-SFHVURJKSA-N 339.399 1.559 0 40 EDAB C[C@@H]1C[C@H](N(C)CCNS(C)(=O)=O)CCN1Cc1ccccc1 96414936 XOMJIRFCRRGFOH-NVXWUHKLSA-N 339.505 1.521 0 40 EDAB CC(C)[C@@H](NC(=O)NC[C@](C)(O)c1cnn(C)c1)c1ccccn1 96421616 KLYBOBXPWIEEOF-WBVHZDCISA-N 331.420 1.719 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 247884185 WNZIWGJKTCVGIJ-HNNXBMFYSA-N 349.456 1.620 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[C@@H]3[C@H]4CCC[C@H]43)CC2)C1 247974099 CBVJQVLDKORVGS-BCDMZGRMSA-N 347.503 1.872 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cnn(C)c1C(F)F 245343878 WGSYYGFXYNPKSV-OINDSLJFSA-N 327.331 1.675 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cnc(C)nc3)CC2)C[C@]1(C)CO 257241112 HWQODZWYMRQIKW-QGZVFWFLSA-N 346.431 1.011 0 40 EDAB Cn1cccc1CN1CCC[C@@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257337778 YUHPJTJKQUUOFP-ZDUSSCGKSA-N 336.461 1.606 0 40 EDAB COCc1cccc(NC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)c1 585136055 NZWYYMAWEAHSSX-CQSZACIVSA-N 341.433 1.508 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2nnc3cnccn23)C1 585126278 UYJWWXFJQRYSSR-SNVBAGLBSA-N 332.364 1.320 0 40 EDAB CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cccc2c1CCN(C)C2 585115877 XOBSXHIRYOXDCS-RISCZKNCSA-N 344.502 1.065 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](Nc3ccnc(C4CC4)n3)C2)on1 585134779 JTZXSAIIRQXMIF-CYBMUJFWSA-N 327.388 2.367 0 40 EDAB CN(C)Cc1nccnc1C1CCN(C(=O)Cn2ccnc2)CC1 257260893 LEXZVDRWHRQHKT-UHFFFAOYSA-N 328.420 1.141 0 40 EDAB CNC(=O)[C@@H]1CNCCN1C(=O)Cc1c(C)[nH]c2ccc(Cl)cc12 257322893 WHWAIWLNJSBDIJ-HNNXBMFYSA-N 348.834 1.219 0 40 EDAB C[C@@H](C(=O)NC[C@H]1CCCO1)n1cc(COc2ccccc2)nn1 257173556 QQFPBKLNGNZZKD-XJKSGUPXSA-N 330.388 1.713 0 40 EDAB CC(C)n1nccc1C(=O)N(C)C[C@]1(O)CCN(c2ccccn2)C1 257264716 LVTWNDDZEHXHGJ-GOSISDBHSA-N 343.431 1.572 0 40 EDAB O=C(C1CCOCC1)N1CCC2(CCO[C@H]2Cc2cncnc2)CC1 257309185 TZWKQUKZOODLRC-KRWDZBQOSA-N 345.443 1.843 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)[C@@H](c2ccccc2)C1 257218195 DCEZJKUXRZGCTG-OAHLLOKOSA-N 348.428 1.014 0 40 EDAB Cc1cnc([C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)cn1 257324658 WPPYNBIJLSXMOT-HNNXBMFYSA-N 325.434 1.821 0 40 EDAB COCCN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)c1cnc(C)cn1 257321299 WBAKXTNTSHUDLY-HZPDHXFCSA-N 346.431 1.417 0 40 EDAB Cc1cc(C)cc(-n2ccn(CC(=O)NC3CCCC3)c(=O)c2=O)c1 85558566 NIBMCKXMNNBFIL-UHFFFAOYSA-N 341.411 1.675 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCC[C@H](O)c2ccoc2)cc1 90613158 LOPBUTDFMGFXGW-AWEZNQCLSA-N 339.369 1.468 0 40 EDAB CCn1cc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2N2CCCC2)cn1 1615002019 VTJLARHRDFRKTL-HOCLYGCPSA-N 340.493 1.836 0 40 EDAB O=C(c1ccn(CC(F)(F)F)n1)N1CCN(Cc2ccco2)CC1 1615588505 BRYIZCGFHQNKRJ-UHFFFAOYSA-N 342.321 1.996 0 40 EDAB O=S1(=O)C[C@@H](O)[C@H](N(Cc2ccccc2)c2cccc(O)c2)C1 575422391 VMVGLCFBSZSLSZ-IAGOWNOFSA-N 333.409 1.557 0 40 EDAB Cc1ccccc1OCC(=O)N1CC(F)(F)C[C@]2(CCNC2=O)C1 585093490 ZJIUFBVHNXEAFV-MRXNPFEDSA-N 338.354 1.748 0 40 EDAB CO[C@@]1(COc2ccccc2)COCCN(C(=O)CCC(=O)O)C1 585269415 SQFUHPCHWZJRES-QGZVFWFLSA-N 337.372 1.174 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1cccc2ncccc12 585279702 XLTVGMGOQILUBR-IBGZPJMESA-N 341.411 1.992 0 40 EDAB CO[C@H]1CCCN(CC(=O)N2CCOCC2)[C@H]1Cc1ccccc1 585270936 CODQKAKDUOIMPC-ROUUACIJSA-N 332.444 1.567 0 40 EDAB COc1cccc(CN(C)C(=O)C[C@@H]2CN(C(C)=O)CC[C@H]2OC)c1 585280210 COOVHAWRQXVNJK-SJLPKXTDSA-N 348.443 1.927 0 40 EDAB O=C(CN1CCC[C@H](C(=O)N2CCOCC2)C1)Nc1ccc(F)cc1 54887033 BQCCBSYKKWYIBW-AWEZNQCLSA-N 349.406 1.335 0 40 EDAB CN(CCN1CCOCC1)C(=O)CCCOCCc1ccccc1 69456086 SATWQIJOLHCIOD-UHFFFAOYSA-N 334.460 1.817 0 40 EDAB CN1CCC(N(C)C(=O)CCCn2nnc(-c3ccccc3)n2)CC1 69420776 NZVWPZZNSCXFAF-UHFFFAOYSA-N 342.447 1.673 0 40 EDAB C[C@@H](NC(=O)NCCNC(=O)CC1CCCCC1)[C@@H]1CCCO1 69658805 MNKGPVFLHPJXFC-HIFRSBDPSA-N 325.453 1.940 0 40 EDAB Cc1nn2c(=O)cc(CN3CCCC[C@H]3Cn3cccn3)nc2s1 69703059 IVSWJHKDMOJBNI-AWEZNQCLSA-N 344.444 1.711 0 40 EDAB COC(=O)[C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C 1579883 DMNVPALQHCBBCC-NXEZZACHSA-N 334.438 1.311 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3ccccc3)[nH]n2)CC1 82347861 MFLPYERINYQMAC-UHFFFAOYSA-N 348.428 1.687 0 40 EDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H]1CCCN(c2cnn(C)c2)C1=O 89948761 NZDHJQHIJMZZFF-DJIMGWMZSA-N 347.463 1.152 0 40 EDAB CCOc1ccnc(N2CCCN(C(=O)C3(C(=O)CC)CC3)CC2)n1 583362828 UJHYQUCYIHGZTF-UHFFFAOYSA-N 346.431 1.673 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 39535087 REDLKZPAUARSBI-SFHVURJKSA-N 339.351 1.438 0 40 EDAB CC[C@H]1CN(c2nnnn2Cc2cccc(CO)c2)C[C@@H](CC)O1 1616033618 RHHANJIBBLXFLM-IYBDPMFKSA-N 331.420 1.608 0 40 EDAB CCN1OC2(CCN(C(=O)Cc3cccc(OC)c3)CC2)CC1=O 1549162633 TXQRJHXIWXGRAG-UHFFFAOYSA-N 332.400 1.783 0 40 EDAB CCNC(=O)NC(=O)CSc1nncn1-c1cccc(OC)c1 5895545 UFQFKUTUQQLCKR-UHFFFAOYSA-N 335.389 1.214 0 40 EDAB CCc1nn(CC(=O)NCc2ccco2)c(=O)c2cc3occc3n12 12115458 QOKSTIOKERYRKU-UHFFFAOYSA-N 340.339 1.714 0 40 EDAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(S(C)(=O)=O)C2)on1 12118482 BVXTURPHQKVKIE-LBPRGKRZSA-N 336.417 1.887 0 40 EDAB Cc1cnc(-c2nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)no2)cn1 12187423 VYHMUJHSSCAURN-CQSZACIVSA-N 343.387 1.720 0 40 EDAB CCOc1ccc(CC(=O)N2CCc3nc(C)[nH]c(=O)c3C2)cc1 12275739 QQBYGVQXXJUZHB-UHFFFAOYSA-N 327.384 1.604 0 40 EDAB Cn1c(S)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 13534764 OICAOKPYGHHTIB-UHFFFAOYSA-N 338.458 1.945 0 40 EDAB O=C(NC1CCN(C(=O)Cn2ccc3ccncc32)CC1)C1CC1 19404624 WDHPEIZYBHRVGI-UHFFFAOYSA-N 326.400 1.554 0 40 EDAB Cc1noc(C)c1C(=O)N1CC[C@@H](C(=O)NCCN2CCCCC2)C1 19747896 AGWBOMVPIPHAIG-OAHLLOKOSA-N 348.447 1.356 0 40 EDAB CC[C@H](C(=O)c1ccc(C)cc1)n1cnc2c1c(=O)[nH]c(=O)n2C 4606913 DCFUEEXYEJHSDM-GFCCVEGCSA-N 326.356 1.566 0 40 EDAB COc1ccc(-c2csc(CCNc3cn[nH]c(=O)n3)n2)cc1 12202274 XWJVYRLPGZVXFD-UHFFFAOYSA-N 329.385 1.952 0 40 EDAB O=C(c1cc2ccccn2c1)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1888879287 WXLQNTWLJIFCAO-HZPDHXFCSA-N 333.395 1.938 0 40 EDAB Cc1ccc(N2C[C@H]3CN(C(=O)c4ccc5nn[nH]c5c4)C[C@@H]3C2)nn1 1888913481 DFJOHINJMRSMIY-KBPBESRZSA-N 349.398 1.265 0 40 EDAB CC[C@@H]1CN(Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)CCO1 27115688 WMGOTODTFQUCCW-LLVKDONJSA-N 333.388 1.551 0 40 EDAB Cc1c(C(=O)N[C@@H]2CCCC[C@@H](O)[C@@H]2O)nnn1-c1ccc(F)cc1 2037885135 HEYHSCCCXJAOJF-IIAWOOMASA-N 348.378 1.109 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cc(=O)c2ccccc2o1 10255826 FVYPJWYBFBLOTH-CQSZACIVSA-N 334.331 1.850 0 40 EDAB CC(=O)N1CCN(C(=O)Cc2cc(-c3ccc(F)cc3)on2)CC1 12864895 ZIJFJKLNTBDRJL-UHFFFAOYSA-N 331.347 1.714 0 40 EDAB Cc1nc(CN2CCC(C(=O)N(C)C)(n3ccnc3)CC2)cs1 2055713240 KVWKEDKDYCWDQP-UHFFFAOYSA-N 333.461 1.728 0 40 EDAB COc1ccc(/C=C/C(=O)NCCn2cnc(C3CC3)cc2=O)cc1 575608152 PXKJNYXNOAGGKI-RUDMXATFSA-N 339.395 1.959 0 40 EDAB O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1cnc2ccccc2n1 225801645 KQGGZDJFSUBOEO-UHFFFAOYSA-N 348.322 1.298 0 40 EDAB Cc1nc(N2CCCC2)cc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 2298180897 WMSRMFDYURZXNG-IAGOWNOFSA-N 345.491 1.811 0 40 EDAB CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38731032 QXFCTOBKVYIMJD-NWDGAFQWSA-N 336.413 1.086 0 40 EDAB COc1ccc(OCC(=O)NCc2nncn2-c2ccccc2)cc1 40088222 COQNWGIQKDCTPZ-UHFFFAOYSA-N 338.367 1.971 0 40 EDAB COc1ccc(OCC(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 77519 QXGCNIUKTFZWSI-MRXNPFEDSA-N 329.352 1.886 0 40 EDAB CCN1C(=O)C[C@@H](Nc2ccc(OC)c(N3CCCC3=O)c2)C1=O 30519884 QPRZHOKBFVHJAQ-GFCCVEGCSA-N 331.372 1.381 0 40 EDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@H]1COc2ccccc2O1 40553727 OHBSPUQHIIHNQN-XJKSGUPXSA-N 340.383 1.402 0 40 EDAB Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1 40525372 DAGBAOYYYXLIKT-UHFFFAOYSA-N 340.449 1.259 0 40 EDAB COCCN1CCN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 51281778 KPWYTUMIBFMLIK-KRWDZBQOSA-N 346.475 1.278 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32087880 DLPDBKNCIKUTTP-GFCCVEGCSA-N 326.360 1.250 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)on1 32775133 ZUOGSJJKWGAVRE-QGZVFWFLSA-N 343.383 1.467 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1F 32722521 NRGWSUBHZAJOLR-UHFFFAOYSA-N 345.374 1.481 0 40 EDAB Cn1nc(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)ccc1=O 32796657 KEJCTLYILHWJPQ-UHFFFAOYSA-N 346.350 1.767 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC(C)C)cc1 6357870 RKZHRWOSSOXXLB-LBPRGKRZSA-N 328.434 1.524 0 40 EDAB Cc1ccc(C(=O)CSc2nc3c(c(=O)[nH]c(=O)n3C)n2C)cc1 408942 CAMWIBVZFOTITL-UHFFFAOYSA-N 344.396 1.244 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCO[C@@H]2CCCC[C@H]21 46493225 IGFMTHQCFNWVLH-HUUCEWRRSA-N 327.388 1.510 0 40 EDAB Cc1ccccc1CNC(=O)c1nccnc1C(=O)N1CCOCC1 32926142 FKBQZYWTSMDZLT-UHFFFAOYSA-N 340.383 1.187 0 40 EDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccccc3s2)n1 2746210 FPAXFXNPMJQPMR-UHFFFAOYSA-N 333.398 1.693 0 40 EDAB CCc1ccc(OCC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1 69818713 YCYNFNMSPGHVNE-KRWDZBQOSA-N 346.427 1.478 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)NC[C@H]1Cc2ccccc2O1 33112676 RIPUFYATVHELND-CQSZACIVSA-N 338.363 1.532 0 40 EDAB Cc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)oc2c(C)cccc12 52983778 RHVUOGRWJNBNAF-UHFFFAOYSA-N 336.413 1.767 0 40 EDAB CC(C)CNc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C 519836 HLZSCZDDARDCOA-UHFFFAOYSA-N 341.415 1.550 0 40 EDAB biogenic CCCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)n[nH]c1=O 8938468 CSFNTAWNPYFZIB-JTQLQIEISA-N 338.437 1.878 0 40 EDAB COCCOc1ccc(CNC(=O)c2cccc3cn[nH]c23)cn1 53520027 NSBLVWVQGQJKTG-UHFFFAOYSA-N 326.356 1.913 0 40 EDAB CC(C)[C@@H](CNS(=O)(=O)N1CCCCCC1)N1CCOCC1 22514678 UPUHEBIYHJPUKP-OAHLLOKOSA-N 333.498 1.054 0 40 EDAB O=C(NCCN1C(=O)S/C(=C/c2cccs2)C1=O)c1cc[nH]n1 42214764 WWUANTPCYHFONF-DHZHZOJOSA-N 348.409 1.938 0 40 EDAB CC(C)/N=c1\ccccn1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 23197836 LODLMZYAIWOHIA-NAVNFMRLSA-N 330.388 1.158 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H](C(=O)N2CCOCC2)C1 23317088 PBRSUIUYHSXOCL-ZDUSSCGKSA-N 342.399 1.274 0 40 EDAB COCC(=O)N1Cc2nc3c(C)c(-c4cccs4)nn3c(O)c2C1 100215465 WIXGTLFHOTZFSY-UHFFFAOYSA-N 344.396 1.960 0 40 EDAB c1cncc(CN2CCOC[C@@]3(C[C@@H](CN4CCCC4)CO3)C2)c1 107738823 QGXSIALJKWBLOP-RBUKOAKNSA-N 331.460 1.785 0 40 EDAB O=C1CCCN1c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 24433497 NGSQBSDXJXYJFZ-CQSZACIVSA-N 338.429 1.661 0 40 EDAB O=C1CC[C@H](C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CN1 106153406 CJCVPMCABRVNTA-OLZOCXBDSA-N 335.835 1.809 0 40 EDAB CN1CCN(c2ncc3c(n2)CN(c2ccc4c(c2)CCC4)C3=O)CC1 57355735 KGGMHHHYIDGTSS-UHFFFAOYSA-N 349.438 1.878 0 40 EDAB COC(=O)C1(NC(=O)Cn2c(=O)cnc3ccccc32)CCCCC1 25172649 INYYVRDUHVOWSM-UHFFFAOYSA-N 343.383 1.389 0 40 EDAB O=C1CCC(=O)N1C[C@H](O)CN1CCC[C@@H]1c1ccccc1Cl 106851107 YJXWULYBXJHOJS-IUODEOHRSA-N 336.819 1.987 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1Cc1nc(-c2ccccc2)no1 25254589 LXUBCJMVTAPVJI-HNNXBMFYSA-N 330.369 1.664 0 40 EDAB Cn1nc2c(cc1=O)CN(CC(=O)N1CCC[C@H]3CCCC[C@H]31)CC2 106919656 FELQQQQFYKAGER-RHSMWYFYSA-N 344.459 1.320 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@H]4CCCN4C[C@H]3C)cc12 106911710 USIOSJQVIFTLPE-DGCLKSJQSA-N 349.460 1.134 0 40 EDAB O=C(N[C@@]1(C(=O)O)CCSC1)c1cc(Cl)c2c(c1)OCO2 43509598 FAAMDZDTUXGBER-ZDUSSCGKSA-N 329.761 1.759 0 40 EDAB CCCc1n[nH]c([C@H]2CN([C@H](C)C(=O)Nc3cc(C)no3)CCO2)n1 107056876 JXLZHRWOZKHSSH-VXGBXAGGSA-N 348.407 1.454 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@H]3CCCN(c4ccccc4)C3=O)CCO2)n1 107056764 YYHDFRGJZNGRTR-HOTGVXAUSA-N 341.415 1.682 0 40 EDAB CCOC(=O)[C@]1(CCC(N)=O)CN(Cc2ccccc2)CCC1=O 12506001 TXVVVNJGOYSHDW-GOSISDBHSA-N 332.400 1.276 0 40 EDAB C[C@@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)NC(N)=O 57813541 DQTUNJMDPLKYOL-GSVOUGTGSA-N 329.329 1.188 0 40 EDAB O=C1CN(c2ccc(NC(=O)CCc3cccc(F)c3)cn2)CCN1 27264961 HKWBUDUHQGWBSQ-UHFFFAOYSA-N 342.374 1.728 0 40 EDAB O=C(c1ccnc(-n2ccnc2)c1)N1CCN(c2ccccn2)CC1 58026322 HDOWTZNOIOJNJA-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB CN(C(=O)CSc1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 21515467 FDEGFIOPZSZNDX-AWEZNQCLSA-N 339.482 1.913 0 40 EDAB CCN(CC)c1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cn1 58283540 JJIPHHNIZDDXQM-GFCCVEGCSA-N 325.434 1.092 0 40 EDAB CN(CCCNC(=O)N[C@H]1CCOc2ccccc21)S(C)(=O)=O 47867485 UMZHGQCDSHBSMC-ZDUSSCGKSA-N 341.433 1.091 0 40 EDAB Cc1cc2occ(CC(=O)NCC3(C(N)=O)CCOCC3)c2cc1C 47909229 AEJYIMRZANDMNX-UHFFFAOYSA-N 344.411 1.990 0 40 EDAB O=C(O)C[C@@H](NC(=O)Cn1ccccc1=O)c1ccccc1Cl 44915377 UPHBELGELGVVEW-CYBMUJFWSA-N 334.759 1.834 0 40 EDAB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@@H]2[C@@H]1CC=CCC1 10385455 RBNJCIXIIRGXHR-HIFRSBDPSA-N 329.404 1.520 0 40 EDAB CCN(CC)[C@@H](CNC(=O)CCN1C(=O)CCC1=O)c1ccco1 58354828 PAKSTIKHKPLDBD-ZDUSSCGKSA-N 335.404 1.318 0 40 EDAB C[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)C[C@@H](C)O1 27976334 WTXNVWSLIXUVNV-FRRDWIJNSA-N 331.376 1.065 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1ccc2c(c1)OCO2 58344075 FRNQOHJLTBUYDB-LBPRGKRZSA-N 334.372 1.030 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1OC 28326083 XWKHTEZRSWKQIB-RYUDHWBXSA-N 329.418 1.858 0 40 EDAB C[C@H](Sc1nnnn1Cc1ccco1)C(=O)NC[C@@H]1CCCO1 11308731 NEFZGCYLWJJLDO-QWRGUYRKSA-N 337.405 1.090 0 40 EDAB CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccco1 12688278 AVOLJLRIKXSALQ-UHFFFAOYSA-N 345.355 1.831 0 40 EDAB O=C(CCCNc1ncccn1)NCc1ccc(N2CCCC2)nc1 45882570 LSPTUUZAYMLLDQ-UHFFFAOYSA-N 340.431 1.980 0 40 EDAB Cn1cnc2c1CCN(c1ncnc3c1nnn3-c1ccccc1)C2 69977361 QEVLMWFJQPWPME-UHFFFAOYSA-N 332.371 1.507 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(CC(C)C)C2=O)cc1 3395985 BYIPZIFIMWZMKP-QGZVFWFLSA-N 333.388 1.990 0 40 EDAB O=c1c2ccccc2nnn1CCCOc1ccc2c(c1)OCO2 69288031 PXCVYTRISKXUJQ-UHFFFAOYSA-N 325.324 1.989 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 48264360 LYCNBHXICBZCCF-SMDDNHRTSA-N 333.413 1.661 0 40 EDAB CN(Cc1ccc(-n2cncn2)c(F)c1)Cc1ccn(C)c(=O)c1 48249751 DINHPKMCGQQGRW-UHFFFAOYSA-N 327.363 1.737 0 40 EDAB CCOC(=O)/C=C/c1ccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 12728729 HICUIXULKDPDSN-KADSFNECSA-N 345.355 1.190 0 40 EDAB CNC(=O)c1ccc(NC(=O)Cn2cnc3ccsc3c2=O)cc1 12802881 JQDLVZJKSDQQNB-UHFFFAOYSA-N 342.380 1.456 0 40 EDAB COCC[C@H](NC(C)=O)C(=O)N1CCC[C@@H](n2nc(C)cc2C)C1 70015717 BUHVORHXMXMCPO-CVEARBPZSA-N 336.436 1.205 0 40 EDAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NCC(=O)O 4039793 BVWZHAGAAZSCLU-JTQLQIEISA-N 345.351 1.640 0 40 EDAB biogenic C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1nnc2n1CCC2 69439379 RSSLQOWTNYJNTK-BDJLRTHQSA-N 328.372 1.411 0 40 EDAB COc1ccccc1CC1CCN(CC(=O)NCCNC(C)=O)CC1 69440296 OCYJHOBECJLXDA-UHFFFAOYSA-N 347.459 1.202 0 40 EDAB CC(C(=O)NCCNS(C)(=O)=O)(c1ccccc1)c1ccccc1 69415512 WOEYFLZQRMKNCW-UHFFFAOYSA-N 346.452 1.658 0 40 EDAB Cc1cc(NC(=O)N[C@H]2CCS(=O)(=O)C2)n(-c2ccccc2)n1 65436820 QCHQVQYREHIYGD-LBPRGKRZSA-N 334.401 1.489 0 40 EDAB CCN1CCN([C@@H](C)CNC(=O)N(C)Cc2c(C)noc2C)CC1 65452092 ZVTSYMYSUYAQFE-ZDUSSCGKSA-N 337.468 1.459 0 40 EDAB Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)NC(N)=O)n2n1 14095356 OSRDLXUIXUWKRU-SSDOTTSWSA-N 330.373 1.261 0 40 EDAB COC(=O)c1cccn1C1CCN(CC(=O)NC2CCCC2)CC1 65505153 OUDZBJYRFIOHDV-UHFFFAOYSA-N 333.432 1.970 0 40 EDAB CC(C)N(CCC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 65622709 KBCPFOJCBATWID-LBPRGKRZSA-N 348.465 1.325 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)OCc2cccc(F)c2F)cc1 14255227 UMNNBHLVQFOHFW-UHFFFAOYSA-N 327.308 1.969 0 40 EDAB COc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1F 6552659 SVZHBVOAOVRNGZ-UHFFFAOYSA-N 329.287 1.754 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c(C)c1 5614182 TWCUPGFSKNHSKT-UHFFFAOYSA-N 336.457 1.855 0 40 EDAB COC(=O)c1ccc(OCC(=O)NC2CCCC2)c(C(=O)OC)c1 6788095 BXZLMODFLSWSQZ-UHFFFAOYSA-N 335.356 1.697 0 40 EDAB COc1ccc(-n2cnnc2SCC(=O)NC2CCCC2)cn1 69618200 BNFUDJRSLVYKQZ-UHFFFAOYSA-N 333.417 1.822 0 40 EDAB Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1 6938062 NYGGNACGLCDUND-UHFFFAOYSA-N 332.425 1.923 0 40 EDAB CCN(CC)CC(=O)N1CCCN(Cc2ncc(Cl)n2C)CC1 69655920 JUDAADOCDRPGPC-UHFFFAOYSA-N 341.887 1.450 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2C[C@H](O)CN2CCC(C)CC2)n1 69601647 WYDBREHFTYNSRJ-RTBURBONSA-N 349.523 1.842 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 69741953 RUGOIWGZGOZWHF-CYBMUJFWSA-N 345.447 1.535 0 40 EDAB COc1ccccc1COC[C@@H](O)CN1CCc2cncnc2C1 69779850 MAZQZARHVGVNSS-INIZCTEOSA-N 329.400 1.421 0 40 EDAB CCOc1ccc2nc(NC(=O)Cn3cccnc3=O)sc2c1 69704872 KZCBPCMKWZXKBD-UHFFFAOYSA-N 330.369 1.890 0 40 EDAB COc1cc(C)nc(N2CCN(C[C@@H](O)c3cccc(F)c3)CC2)n1 69742683 SHHPBHNCFVXIOC-MRXNPFEDSA-N 346.406 1.788 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 80762664 PFISNGLEWUOUOE-CQSZACIVSA-N 343.468 1.296 0 40 EDAB NC(=O)CNc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 9118333 OZECFKULNRFYOH-UHFFFAOYSA-N 327.340 1.243 0 40 EDAB C[C@@H](c1nc(C2CC2)no1)N1CCO[C@H](CNc2cccnn2)C1 78894221 NLIHEUCEYPUJLV-WCQYABFASA-N 330.392 1.611 0 40 EDAB Cc1cc2c(N3CCN(c4ccnc(N(C)C)n4)CC3)nccn2n1 302571560 PUUYCGNBNBIERI-UHFFFAOYSA-N 338.419 1.220 0 40 EDAB O=C(CNC(=O)NC[C@@H]1C[C@@]12CCc1ccccc12)NCC1CC1 97048283 RVEXOTVMYQOZBE-KXBFYZLASA-N 327.428 1.716 0 40 EDAB Cc1nn(CC(=O)N2C[C@H](C)[C@H](N(C)C)C2)c(=O)c2ccccc12 78895240 KNXYWNGQLFLMRQ-BLLLJJGKSA-N 328.416 1.113 0 40 EDAB Cn1cnnc1CNCc1csc(-c2ccc3c(c2)OCO3)n1 72255089 GMVXLOPGCSWWDT-UHFFFAOYSA-N 329.385 1.957 0 40 EDAB CCn1nc(C)cc1C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 96416574 LNXQVXVLUYSZOZ-UHFFFAOYSA-N 343.435 1.030 0 40 EDAB O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1)C1CCC1 96405648 KSXAEKDWGZONHA-UHFFFAOYSA-N 328.416 1.879 0 40 EDAB Cc1cc(NCc2nnnn2-c2ccccc2)c(C(N)=O)cc1F 72290812 VIECEGVOEJKXHB-UHFFFAOYSA-N 326.335 1.821 0 40 EDAB c1cc2c(cc1CN1CCN(Cc3nnc(C4CC4)o3)CC1)OCO2 71824642 GHLVPQLDSWLSEI-UHFFFAOYSA-N 342.399 1.994 0 40 EDAB O=C([C@@H]1CCCN1C(=O)COCc1ccccc1)N1CCSCC1 71898274 DPTDKPOEWMCYPF-INIZCTEOSA-N 348.468 1.770 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 71870995 AAMXHFRTRLDAPP-GFCCVEGCSA-N 346.349 1.609 0 40 EDAB Cc1ccc([C@H]2C[C@H]2C(=O)NC2CCN(CC(N)=O)CC2)cc1C 71837342 XIHDAFUDCWOCHQ-IAGOWNOFSA-N 329.444 1.473 0 40 EDAB O=C1OCC[C@@H]1N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 71875006 ZUJHLJSFSYSACX-ZDUSSCGKSA-N 326.755 1.552 0 40 EDAB O=C(Cc1cc2ccccc2[nH]c1=O)N1CCN2CCCC[C@H]2C1 71839767 SGHXSHWDCSXRQV-INIZCTEOSA-N 325.412 1.767 0 40 EDAB O=C(NCCc1nccn1C(F)F)N[C@H]1c2ccccc2C[C@H]1O 71862760 BNDPJUUUTNEBLV-OCCSQVGLSA-N 336.342 1.778 0 40 EDAB CS(=O)(=O)CCN1CCC(NC(=O)NC2CCCCC2)CC1 71800050 XYFZFYSLHNZPMY-UHFFFAOYSA-N 331.482 1.127 0 40 EDAB CCN(CC(=O)NC(C)(C)C)C(=O)NCc1c(C)nn(CC)c1C 71856713 ZFFCYGVPENDGEE-UHFFFAOYSA-N 337.468 1.966 0 40 EDAB NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)[C@@H]3CCCO3)c2)C1 71888091 FVJMJHPHABJFBT-IRXDYDNUSA-N 345.443 1.179 0 40 EDAB CC(C)c1noc(CN2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)n1 71839637 MDZSBOUDEAEPSW-UHFFFAOYSA-N 346.435 1.998 0 40 EDAB Cc1cc(CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)on1 71920054 YJGGZHZLDCDVAA-UHFFFAOYSA-N 336.480 1.899 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)no1 71900249 RFHUTAZTNNQGCA-LBPRGKRZSA-N 333.219 1.606 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CCCCC[C@@H]2c2ccco2)CC1 71915040 SLNMEQNOUNIOGV-MRXNPFEDSA-N 333.432 1.887 0 40 EDAB COc1ccc(OC)c(/C=C/C(=O)NCCc2nnc3n2CCC3)c1 78954802 KBLQUUDGANGHDL-VMPITWQZSA-N 342.399 1.614 0 40 EDAB Cc1cccc(C(N)=O)c1NS(=O)(=O)c1cccc(C(=O)O)c1C 84225084 SCUGXIWCRDVHKU-UHFFFAOYSA-N 348.380 1.901 0 40 EDAB COc1cc(Br)ccc1[C@H]1NC(=O)[C@H]2COCCN12 97237613 MYILJBKFWWNWRE-PWSUYJOCSA-N 327.178 1.287 0 40 EDAB Cn1cc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)ccc1=O 84314444 CJECMAASYCVARN-CYBMUJFWSA-N 334.759 1.985 0 40 EDAB NS(=O)(=O)[C@H]1CCN(Cc2ccc(F)c(Br)c2)C1 84341283 VBISZVUJOQADCL-VIFPVBQESA-N 337.214 1.451 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)C3CC3)C2)n1 95369529 SVNDLLHSCFQSCB-UONOGXRCSA-N 332.404 1.485 0 40 EDAB O=C(c1c[nH]c(=O)cn1)N1CCC[C@H](c2nccn2CC2CCC2)C1 95382587 RUQRFFVRMJRRRS-AWEZNQCLSA-N 341.415 1.786 0 40 EDAB Nc1nc(Cl)cc(N2CCN(Cc3noc(C4CC4)n3)CC2)n1 95394633 JEGQOVUUDIQGBT-UHFFFAOYSA-N 335.799 1.295 0 40 EDAB COCC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F)C(C)C 84622376 RTUHLVZDKAHMLL-WNMQOVRZSA-N 340.370 1.724 0 40 EDAB CC(C)Cc1n[nH]c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1 95478905 PTRFNSIMEVEGNK-GFCCVEGCSA-N 327.388 1.995 0 40 EDAB C[C@H]1CN(C(=O)c2ccncc2I)[C@H](C)CO1 95447108 NXQAMJZVFFQRPF-BDAKNGLRSA-N 346.168 1.936 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@](C)(O)c1cnn(C)c1 95433198 RFWWZLDFAFIEJI-CQSZACIVSA-N 343.836 1.568 0 40 EDAB O=C(O)[C@@H]1COCCN1C(=O)c1cc(F)ccc1Br 88374084 LPZGMFYYRXKQKM-JTQLQIEISA-N 332.125 1.514 0 40 EDAB Cc1oc(C(=O)NCCc2cc3ccccc3o2)cc1S(N)(=O)=O 88591816 PVSNHANZBDJVLU-UHFFFAOYSA-N 348.380 1.954 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N1CCO[C@@H](Cc2ccccc2)C1 95988885 XLJPKFVAFQVXGB-HOCLYGCPSA-N 329.404 1.320 0 40 EDAB Cn1ncnc1CCNC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 95977530 RKSLHDJIKBKVRA-LBPRGKRZSA-N 341.774 1.183 0 40 EDAB Cc1cc(C)c(CNC(=O)N[C@@H](C)COCC(F)(F)F)c(=O)[nH]1 75124714 VUWVXIFFFYKIQF-JTQLQIEISA-N 335.326 1.758 0 40 EDAB CCN(C)C(=O)CCN1CCN(C(=O)c2ccc(C)c(F)c2)CC1 89960820 NVWCXBCJNKWAAM-UHFFFAOYSA-N 335.423 1.760 0 40 EDAB O=C1N[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1c1cccc(Cl)c1 39379194 ZYFGVOTWOJEPFK-HOTGVXAUSA-N 330.727 1.600 0 40 EDAB O=C(O)c1nccnc1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1 71280613 CZYXPJSBOSVVJH-UHFFFAOYSA-N 341.302 1.811 0 40 EDAB NC(=O)c1ccc(NC(=O)C[C@@H](c2ccsc2)n2cnnn2)cc1 524732502 KJKBVCLJZOBTSW-ZDUSSCGKSA-N 342.384 1.452 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CC[C@@](OC)(C(=O)O)C2)cc1C 530148863 ATPHLKGURXCXIZ-HNNXBMFYSA-N 343.401 1.176 0 40 EDAB NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)N1CCN(c2ccccc2F)CC1 534676171 HICJTNBZSHHIPP-UKRRQHHQSA-N 346.406 1.477 0 40 EDAB Cc1nn(C)c(C)c1C[C@H]1[C@H](O)c2ccccc2S(=O)(=O)N1C 35385164 VKYVYRAODNBZQT-GOEBONIOSA-N 335.429 1.316 0 40 EDAB CCNC(=O)c1ccc(N2CCN(c3cc(C)nc(C)n3)CC2)nc1 79031002 ZAIWWXQZVSOYDL-UHFFFAOYSA-N 340.431 1.565 0 40 EDAB CSCC(=O)N1CCN(Cc2ccc(Br)cn2)CC1 76618521 OLUMUIHBYNXHEE-UHFFFAOYSA-N 344.278 1.851 0 40 EDAB C[C@@H](Cc1ccc(Cl)cc1)N(C[C@@H](C)O)S(=O)(=O)N(C)C 225686348 VYVKAXWEPVERJJ-NWDGAFQWSA-N 334.869 1.760 0 40 EDAB COCCNC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccco1)CC2=O 49551879 XXLMGOQFXNFCMV-SNVBAGLBSA-N 330.340 1.257 0 40 EDAB CN(C)c1ncccc1O[C@@H]1CCN(S(=O)(=O)c2cccnc2)C1 225584088 LCVPYFNHBUTSOY-CYBMUJFWSA-N 348.428 1.385 0 40 EDAB C[C@H]1COCCN1CCN(Cc1ccccc1)CC1(O)CCOCC1 225627716 IKZYFJRFTNXXIA-SFHVURJKSA-N 348.487 1.751 0 40 EDAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NC3CC3)s2)cc1 222877576 WGZSJFDSAXNESI-UHFFFAOYSA-N 338.414 1.540 0 40 EDAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc[nH]1 223677551 QHGIBMZSJXKMCC-HUUCEWRRSA-N 330.413 1.945 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCC(C(F)F)CC2)C1 582950169 XRSAGAHARJJWDU-VQXHTEKXSA-N 339.408 1.143 0 40 EDAB Cc1ccc(Cl)c(OC[C@H](O)Cn2cnc([S@@](C)=O)n2)c1 97375799 ZAYGKKVMVPTUMW-UZJPJQLHSA-N 329.809 1.417 0 40 EDAB Cc1cccc(S(=O)(=O)CCCN2C[C@H]3OCCN(C)[C@@H]3C2)c1 97094646 SVNKALPGGGVACP-IAGOWNOFSA-N 338.473 1.174 0 40 EDAB Cc1cccc(S(=O)(=O)CCCN2C[C@H]3[C@@H](C2)OCCN3C)c1 97094647 SVNKALPGGGVACP-DLBZAZTESA-N 338.473 1.174 0 40 EDAB COCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2C 96183090 HOQZHVJMNAFZLF-UHFFFAOYSA-N 326.418 1.255 0 40 EDAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(OC)cc1 96186236 DNEIAPVKXQHXFC-IAGOWNOFSA-N 346.427 1.476 0 40 EDAB Cc1occc1C(=O)N1CC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 96219363 XWGCICAIRQIGQT-DYVFJYSZSA-N 328.372 1.864 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CN(C2CCOCC2)C[C@H]2OCC[C@H]21 96038893 JCGNFNBWOXJCNW-RCCFBDPRSA-N 345.443 1.214 0 40 EDAB O=C(Cc1cccs1)N1CCn2cc(CN3CCOCC3)nc2C1 96197299 CJDKLGLKIXWUNH-UHFFFAOYSA-N 346.456 1.362 0 40 EDAB Cc1cc(Br)ccc1CNC(=O)NCC[S@](C)=O 96408908 ZLPOZCFYDMWADY-GOSISDBHSA-N 333.251 1.935 0 40 EDAB O=C(COc1cccc(-n2cnnc2)c1)NCc1nnc2ccccn12 95473480 MEYYLLNRQXWTOH-UHFFFAOYSA-N 349.354 1.005 0 40 EDAB COc1cccc(C(=O)N2CC[C@@H](N3CCCC3)C[C@H]2C(=O)O)c1 96100118 REZYAJDSJYCAKZ-ZBFHGGJFSA-N 332.400 1.849 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccncc2)Cc2ccnn2C1 96189073 MKTUTLMIXHAOMR-MRXNPFEDSA-N 343.431 1.015 0 40 EDAB CCOC[C@H]1CN(C(=O)COc2ccccc2)Cc2cn(C)nc21 96197996 CMVLZSNECYEJJC-OAHLLOKOSA-N 329.400 1.961 0 40 EDAB CCn1cnnc1[C@H]1CN(C(=O)NC[C@@H]2CCCS2)CCO1 583621490 SDDCSJNJEHOTAF-NWDGAFQWSA-N 325.438 1.277 0 40 EDAB CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)C4CC4)C[C@@H]32)C(=O)N1CC 96261624 IKIPMKMHJMOIRZ-PVXIVEMSSA-N 339.461 1.230 0 40 EDAB Cn1cncc1[C@H]1C[C@H](NC(=O)c2ccn3cncc3c2)CCO1 583615968 YNKSJCRFXNUTOV-CZUORRHYSA-N 325.372 1.718 0 40 EDAB CCc1nnc2n1C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)CC2 97199560 HBVGVOZAUKEFJG-CRAIPNDOSA-N 339.443 1.765 0 40 EDAB CS(=O)(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 247554527 WYLDITVFIMJZSM-NQBHXWOUSA-N 332.447 1.099 0 40 EDAB COc1cncc(S(=O)(=O)NC[C@@H](C(=O)O)c2ccccc2)c1 542841124 VUJQPQNAYNOVLK-CQSZACIVSA-N 336.369 1.237 0 40 EDAB O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccoc1)c1ccnnc1 247489377 LWFRJOUVZXAJPX-UAGQMJEPSA-N 342.399 1.479 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NC[C@H](O)c1ccc2c(c1)OCCO2 253471961 GTOVZCWBNOVFRB-ZDUSSCGKSA-N 331.372 1.272 0 40 EDAB Cn1cnc(C(=O)N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)c1 257298134 RKIQBSAHDMBQSB-RDJZCZTQSA-N 333.363 1.604 0 40 EDAB Cc1cc(N)cc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257285256 PGHPAGSIOMLMJV-MRXNPFEDSA-N 330.388 1.720 0 40 EDAB CCOC[C@H]1CN(C(=O)NCc2nc3cccc(C)c3[nH]2)CCO1 527835350 HWYLXTCORJZXNS-CYBMUJFWSA-N 332.404 1.818 0 40 EDAB O=S(=O)(NC[C@H]1CCCO1)c1cc(O)cc(C(F)(F)F)c1 585135240 WIKDEBXKWHSDAI-SNVBAGLBSA-N 325.308 1.868 0 40 EDAB Cc1c(NC(=O)[C@@H]2COCCO2)cc(Br)cc1C(=O)O 585134072 COCZOEUUHIWGKF-NSHDSACASA-N 344.161 1.810 0 40 EDAB CC(=O)N1CC[C@H](Cc2nccnc2C(=O)NC2CCCCC2)C1 257275213 NOJIRIATIYZMKD-CQSZACIVSA-N 330.432 1.950 0 40 EDAB O=C(C1CCOCC1)N1CCCC[C@H]1c1cc(O)n2ccnc2n1 257255242 KGSGQPXJQSXHHR-AWEZNQCLSA-N 330.388 1.915 0 40 EDAB O=C(CN1CCCC1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257323232 WJGJXEGIJSPBBS-FQEVSTJZSA-N 343.471 1.104 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1cccc2c1OCCO2 257254111 KBRDHWQKYUNGPJ-BFYDXBDKSA-N 346.427 1.565 0 40 EDAB O=C(NCc1ccccc1)C(=O)NC[C@H](O)c1ccc2c(c1)CCO2 85559487 XFZBSTUCJSURBI-INIZCTEOSA-N 340.379 1.088 0 40 EDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)O)cc1 264520234 CHCGOVMEZAEORR-CQSZACIVSA-N 334.328 1.341 0 40 EDAB NC[C@H]1CN(C(=O)c2cnn3ccc(N)cc23)C[C@@H]1C(F)(F)F 1615547179 OQOZINWBOHKUNC-KWQFWETISA-N 327.310 1.126 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)NC[C@@H]1COC2(CCCCC2)O1 1615579226 LWJWKVWQRPAVIK-CYBMUJFWSA-N 349.435 1.442 0 40 EDAB CN1C(=O)CCc2cc(C(=O)N3CC[C@H]4CC[C@@H](O)[C@H]3C4)ccc21 1615613474 AMQZNJQSXNGHIF-CSMYWGQOSA-N 328.412 1.971 0 40 EDAB O=C1CC[C@@H](NC(=O)Cc2ccc(OC(F)F)c(F)c2)CCN1 1615621474 YBTBMPVRYRYOQQ-SNVBAGLBSA-N 330.306 1.755 0 40 EDAB Nc1cc2c(cc1NC(=O)c1ccc3c(c1)CCNCC3)OCO2 294686816 ADTRWIMFGMWAFQ-UHFFFAOYSA-N 325.368 1.938 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575406156 XAGQVONMUFCYSJ-GFCCVEGCSA-N 328.397 1.651 0 40 EDAB CC(=O)N1CCN(C2CCC2)C[C@@](O)(COc2cccc(F)c2)C1 585282687 MSZMKEFWNTZJSS-GOSISDBHSA-N 336.407 1.652 0 40 EDAB Cn1ccnc1C(=O)N1CCO[C@](CO)(Cc2ccccc2F)C1 585275697 IEFQAPCHMJMSSP-QGZVFWFLSA-N 333.363 1.005 0 40 EDAB Cc1nc(-c2c[nH]c(C(=O)N[C@H](C)CN3CCOCC3)c2)cs1 46888102 LUPGTASCLYNGMS-LLVKDONJSA-N 334.445 1.897 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 47729977 VVBUKKGLZKGXLE-LBPRGKRZSA-N 334.420 1.719 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCOC3)ccc21 56130198 BEERWBZMTABEQL-CYBMUJFWSA-N 338.429 1.301 0 40 EDAB C[C@H]1CN(CC2CCN(CCN3CCOC3=O)CC2)C[C@H](C)O1 69016938 XGXQMMQUMVQWQY-GJZGRUSLSA-N 325.453 1.260 0 40 EDAB CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC1(c2ccccc2)CC1 69809425 FLJVPOUKHJEHJN-DZGCQCFKSA-N 338.473 1.798 0 40 EDAB O=C(O)[C@@H]1[C@H](c2ccccc2)CCN1S(=O)(=O)[C@H]1CCCOC1 547606708 ZMANLHBDKPXUCY-KKUMJFAQSA-N 339.413 1.438 0 40 EDAB O=C(O)[C@@H]1[C@H](c2ccccc2)CCN1S(=O)(=O)[C@@H]1CCCOC1 547606706 ZMANLHBDKPXUCY-ILXRZTDVSA-N 339.413 1.438 0 40 EDAB Cc1ccccc1C1(C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)CC1 581360768 AMNBTTUSBCENBE-GOSISDBHSA-N 340.427 1.672 0 40 EDAB CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1ccccc1)C(N)=O 5714190 TUOBGXZCQZDHJZ-AWEZNQCLSA-N 349.431 1.965 0 40 EDAB CN1C[C@H](C(=O)N2CCC[C@@H](n3nnc4cc(F)ccc43)C2)CC1=O 12184852 YIDWMCCDTLDEGD-DGCLKSJQSA-N 345.378 1.212 0 40 EDAB Cc1cccc(Cn2ccc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)c1 13960263 UZRFOVBQZBITPB-FSDCSDTHSA-N 337.379 1.907 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 18704020 QBKPECXZSXCWTD-AEZGRPFRSA-N 336.388 1.366 0 40 EDAB Cc1noc(C)c1C(=O)N1CCC[C@@H](NC(=O)c2cnccn2)CC1 19749081 LKNLENYBNXEGQO-CYBMUJFWSA-N 343.387 1.506 0 40 EDAB Cc1cc(N2CCO[C@H](C(=O)N3CCCC3)C2)n2nc(C)cc2n1 1888854193 HBUYJHXNYPNOAA-AWEZNQCLSA-N 329.404 1.174 0 40 EDAB Cc1nnc(N2CC(NC(=O)[C@H](C)Oc3ccccc3F)C2)s1 1888855808 NDOYRTRAVFHALW-VIFPVBQESA-N 336.392 1.758 0 40 EDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5ccccn5)C[C@H]4C3)nn12 1888879367 GJKCVDHPHKWJKZ-ZIAGYGMSSA-N 349.398 1.036 0 40 EDAB Cc1cccc([C@@H](CNC(=O)c2nccnc2N)N2CCOCC2)c1 31996005 GWAZIQGFVHZCJO-OAHLLOKOSA-N 341.415 1.171 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(C)C3)n2)cn1 238880298 PBVAROWSXALHSQ-CYBMUJFWSA-N 345.403 1.488 0 40 EDAB O=C(NCC(=O)N1CC(Oc2cccnc2)C1)OCc1ccccc1 238852073 JNGACNOUMGUSQY-UHFFFAOYSA-N 341.367 1.598 0 40 EDAB CN1CCCC[C@]2(CN(C(=O)CCc3ccccc3)CCO2)C1=O 2037985252 CXSMZQBWFSCLCE-IBGZPJMESA-N 330.428 1.859 0 40 EDAB Cc1ccnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 4330253 MQCKLVWJBAXCQL-UHFFFAOYSA-N 331.353 1.173 0 40 EDAB O=C(NCc1ccccc1)NCc1nnnn1-c1cccc(F)c1 9615969 YSZHSJGMVFYIQG-UHFFFAOYSA-N 326.335 1.801 0 40 EDAB CCNC(=O)c1cc2c(CNC(=O)[C@H]3CCOC3)nn(C)c2s1 2055772724 UPTONDWKAVFAGH-VIFPVBQESA-N 336.417 1.037 0 40 EDAB O=C(CC1CC1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782236 RZBBMFMXMGTQSK-UHFFFAOYSA-N 330.432 1.527 0 40 EDAB CCN(CC)c1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 23141992 PCSCKNLLQKLVPS-UHFFFAOYSA-N 344.415 1.789 0 40 EDAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(C)on1 206794157 XIDDPBIBELNNBH-FZMZJTMJSA-N 348.330 1.957 0 40 EDAB Cn1nccc1-c1nnc(NC(=O)[C@@H]2COc3ccccc3O2)o1 38661759 PSGWQBRUFXRVFF-LBPRGKRZSA-N 327.300 1.249 0 40 EDAB COC1CCN(C2CN(S(=O)(=O)c3c(F)cccc3F)C2)CC1 575609963 CYKRRBRKRQEYHA-UHFFFAOYSA-N 346.399 1.449 0 40 EDAB COCc1cn([C@@H]2CCN(C(=O)[C@H](C)Oc3ccccc3)C2)nn1 585149787 WBJNEHYKWCGTNC-DZGCQCFKSA-N 330.388 1.665 0 40 EDAB Cn1cnn(CC(=O)N2CCC[C@H]2[C@@H]2CCCc3ccccc32)c1=O 97233882 DZRGEAUDEDVTAZ-SJORKVTESA-N 340.427 1.693 0 40 EDAB CCCC(=O)NCC(=O)N1CCN(c2ccccc2OCC)CC1 30672501 JWNBBXZKJCASOA-UHFFFAOYSA-N 333.432 1.650 0 40 EDAB CCOC(=O)[C@@H](N)CSCCCN1C(=O)c2ccccc2C1=O 20218595 BGFWUCUWTCUINV-ZDUSSCGKSA-N 336.413 1.296 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 40490059 ZBHXQCVHAWACFC-OAHLLOKOSA-N 348.399 1.735 0 40 EDAB Cc1cccc(OCCC(=O)NC2CCN(S(C)(=O)=O)CC2)c1 40512905 URDWKDPEEZIRRG-UHFFFAOYSA-N 340.445 1.304 0 40 EDAB COc1ccc(-c2nc(C(=O)N(C)CC(N)=O)cs2)cc1OC 40534727 IMEVMCICMPVFCG-UHFFFAOYSA-N 335.385 1.385 0 40 EDAB CC(=O)N(C)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 32272204 LOUYPUIKHVGBCW-UHFFFAOYSA-N 333.436 1.035 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)NCCc2cccnc2)C1=O 32349415 PCMIGFSJFXAXLX-ZDUSSCGKSA-N 325.368 1.554 0 40 EDAB COc1cccc([C@@H]2C=C(C(=O)O)Nc3nnnn32)c1OC(C)C 101675677 RCDPMZJKICMEBG-NSHDSACASA-N 331.332 1.452 0 40 EDAB CCCCN(C(=O)NC(C)(C)C)c1c(N)n(CCC)c(=O)[nH]c1=O 8428410 CQTRRYDUUNOGCZ-UHFFFAOYSA-N 339.440 1.643 0 40 EDAB COc1cccc(S(=O)(=O)CCN2CCc3cnc(C)nc3C2)c1 69516555 FJFZKMTUSXBCOG-UHFFFAOYSA-N 347.440 1.626 0 40 EDAB COc1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)cc1 379322 KLZXBUKGOJCSNS-UHFFFAOYSA-N 326.418 1.520 0 40 EDAB CNC(=O)c1ccc(Cl)cc1NC(=O)CCNC(=O)[C@@H]1C[C@@H]1C 69594303 IQUMKIAKHJMTAC-JOYOIKCWSA-N 337.807 1.800 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2noc(C(C)(C)C)n2)c2ccccc2O1 52048025 PGNIOUSAQINGEM-ZDUSSCGKSA-N 330.388 1.881 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2)cc1 6545366 YMKWLMPFJIHDAA-UHFFFAOYSA-N 348.424 1.632 0 40 EDAB Cc1cc(C(=O)NCCN2CCS(=O)(=O)CC2)c(C)n1C(C)C 75849951 YXHZSWWFPUPKOU-UHFFFAOYSA-N 341.477 1.146 0 40 EDAB C[C@H](O)CN1CCC(CN(C)Cc2nccn2CC(F)(F)F)CC1 69658771 MEWDYXSJPZPOCY-ZDUSSCGKSA-N 348.413 1.970 0 40 EDAB Cc1cc(CS(=O)(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)no1 69620898 SRLLGORBBFFIGJ-ZYHUDNBSSA-N 329.422 1.192 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 69628089 XADQPKKUGHMKCP-HOTGVXAUSA-N 337.439 1.377 0 40 EDAB O=c1n(C[C@H]2CCCO2)nc(C2CCNCC2)n1Cc1ccccc1 71639543 JUQCWZQGWSVPOU-QGZVFWFLSA-N 342.443 1.739 0 40 EDAB CC(=O)N1CCCN(C(=O)c2nn(-c3ccccc3)nc2C)CC1 53356025 MZSFMKDHJOXPLY-UHFFFAOYSA-N 327.388 1.270 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C)n2)cc1 9834526 OAARYNPMWHUDJG-LBPRGKRZSA-N 349.412 1.704 0 40 EDAB CCOc1ccccc1-c1noc(CN2CCN(CCOC)CC2)n1 54619760 RHMLRVXLJRWUQO-UHFFFAOYSA-N 346.431 1.899 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(C2CC2)nn1-c1ccccc1 17636753 SZLOYISMSHMXIY-CYBMUJFWSA-N 345.424 1.667 0 40 EDAB CCCn1cc(CN2CCCN(C(=O)c3cnsn3)CC2)cn1 105834257 JFXVTNCKWAQWFM-UHFFFAOYSA-N 334.449 1.493 0 40 EDAB O=C(NCCN1CCCCCC1=O)NCc1ccc2c(c1)OCO2 47575962 ZCGXBCPPIUUFNS-UHFFFAOYSA-N 333.388 1.617 0 40 EDAB CC(C)(CNC(=O)c1ccc(Cn2cncn2)cc1)N1CCOCC1 24840505 LJFRXFMJJYOFRR-UHFFFAOYSA-N 343.431 1.167 0 40 EDAB CN1C[C@@H](C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC1=O 69745014 NNQJNJHNXLMNND-JTQLQIEISA-N 334.376 1.685 0 40 EDAB COc1c(C)cnc(CN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)c1C 76059155 UURGUGNBJIPNAI-SCLBCKFNSA-N 346.431 1.517 0 40 EDAB CN1CC[C@H](C(=O)OCC2CCN(CC(F)(F)F)CC2)CC1=O 76020324 VBIIGDDDNQADDI-LBPRGKRZSA-N 336.354 1.672 0 40 EDAB CC(C)[C@H](NC(N)=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1 26562872 AAAIMASOGADCHT-AWEZNQCLSA-N 338.839 1.682 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)N(C)C 57482241 NKUHCIXTCZESEZ-SSDOTTSWSA-N 342.314 1.600 0 40 EDAB COc1cccc(CN2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)c1 76055175 QZXIUMNEZDINQB-BEFAXECRSA-N 331.460 1.680 0 40 EDAB c1cc(CN2CCOC[C@@]3(C[C@@H](CN4CCCC4)CO3)C2)ccn1 107738833 MDFLFNLRLXNNOU-RBUKOAKNSA-N 331.460 1.785 0 40 EDAB COc1cccc(CCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1OC 44873194 RJSAISICXHDFDX-CYBMUJFWSA-N 341.429 1.282 0 40 EDAB O=C(CCc1ccc(F)cc1)NCCn1nc2ccccn2c1=O 58280406 LJEOZDQILHWYMB-UHFFFAOYSA-N 328.347 1.384 0 40 EDAB O=C(CC1CCCC1)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 58230848 FZJWVJCBWHBVKH-UHFFFAOYSA-N 344.371 1.264 0 40 EDAB Cc1ccccc1NC(=O)[C@@H](C)[S@](=O)Cc1nnnn1C1CC1 78556160 YELUQIVMNYAROZ-BGJPBQGDSA-N 333.417 1.592 0 40 EDAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NC[C@H]1CCS(=O)(=O)C1 44909236 OXWJAUOZRMVKSS-LLVKDONJSA-N 338.404 1.709 0 40 EDAB O=C(NCCCn1ccnc1)c1cn(-c2ccccc2Cl)nn1 58332693 IJXPMIAYPRQILZ-UHFFFAOYSA-N 330.779 1.937 0 40 EDAB CC(C)CNC(=O)c1ccccc1NC(=O)CSc1n[nH]c(N)n1 10716104 ZQAKQSYEIIRKMY-UHFFFAOYSA-N 348.432 1.504 0 40 EDAB CCC(CC)[C@@H](CNc1ncnc2c1cnn2C)N1CCOCC1 12730199 XCYZEHQSQPJWIH-OAHLLOKOSA-N 332.452 1.912 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cccc2)c(F)c1 69814556 WQVXQJGFGBCQFX-GFCCVEGCSA-N 336.388 1.781 0 40 EDAB NC(=O)C1CCN(C(=O)/C=C/c2c(Cl)nc3ccccn23)CC1 3486837 DZTBQNIRNIERGZ-SNAWJCMRSA-N 332.791 1.725 0 40 EDAB C[C@H](C(=O)NC1CCCC1)N1CCN(C[C@H](O)c2ccccc2)CC1 69844955 UVHGYXIAJBHCOE-APWZRJJASA-N 345.487 1.785 0 40 EDAB CCc1nnc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)s1 12982045 PHNKVBIIVFAWSR-VIFPVBQESA-N 332.385 1.853 0 40 EDAB O=c1[nH]c(CN2CCC[C@H](OCCO)C2)nc2ccc(Cl)cc12 69982440 ZTXWVJAJZCEUID-LBPRGKRZSA-N 337.807 1.550 0 40 EDAB CC(C)n1ncc(C(=O)N2CCN(C[C@H](C)O)CC2)c1C(F)(F)F 69980808 OHDJHMJAKXZJOY-NSHDSACASA-N 348.369 1.621 0 40 EDAB CCc1nc(CN2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cs1 69975905 OXJIMJSIECWJFH-UHFFFAOYSA-N 346.456 1.742 0 40 EDAB C[C@H](O)CN1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 69950610 QXKSERMMSPPAJU-ZDUSSCGKSA-N 346.880 1.112 0 40 EDAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NCCN1CCOCC1 38429355 XCYBCYIVGXWTGP-LFYBBSHMSA-N 330.837 1.562 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)CC1 5030003 NCNSSDSKVSYSAV-OAHLLOKOSA-N 349.362 1.619 0 40 EDAB aggregator CCn1c(SCC(=O)N2CCN(C(C)=O)CC2)nc2ccccc21 8709749 NZVYRUYOPTWAQP-UHFFFAOYSA-N 346.456 1.839 0 40 EDAB COc1ccc(NC(=O)COCC(=O)N2CCCCC2)c(OC)c1 13844855 XVUAFPOPUZHQDJ-UHFFFAOYSA-N 336.388 1.671 0 40 EDAB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCCC2 8774694 SZYAROURJQGCEQ-CQSZACIVSA-N 343.470 1.373 0 40 EDAB O=C(Cn1cnnn1)Nc1nc2cc(OC(F)(F)F)ccc2s1 4776537 DIUMBGOWCYKTIS-UHFFFAOYSA-N 344.278 1.820 0 40 EDAB CCOC(=O)N[C@](Nc1nccs1)(C(=O)OC)C(F)(F)F 4770022 IVXVNDKZBKDPOE-SECBINFHSA-N 327.284 1.733 0 40 EDAB Cn1cc(-c2ncc(C(=O)N3CCC(CC(N)=O)CC3)s2)cn1 66376668 BCVCZBAPPICXLW-UHFFFAOYSA-N 333.417 1.271 0 40 EDAB Cc1c(C(=O)OCC2(C)COC2)sc2nc3n(c(=O)c12)CCC3 66522662 SLTUHKWJKVJVEK-UHFFFAOYSA-N 334.397 1.906 0 40 EDAB O=C(NCc1ccco1)C1CCN(c2ncnc3[nH]cnc23)CC1 9060352 FQPIKDIKNASUDM-UHFFFAOYSA-N 326.360 1.479 0 40 EDAB CCN(C(C)=O)c1nc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cs1 67029439 UWICVVCFBTZYJJ-NSHDSACASA-N 338.389 1.317 0 40 EDAB Nc1nc(N)nc(SCC(=O)N[C@H]2CCCc3ccccc32)n1 4921218 UUTAJNXXRACTAJ-NSHDSACASA-N 330.417 1.322 0 40 EDAB CN1C(=O)N[C@](NC(=O)c2ccccc2Cl)(C(F)(F)F)C1=O 7058380 ANXGPRFPEHZJGL-NSHDSACASA-N 335.669 1.510 0 40 EDAB COc1ccccc1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 7155435 LUSCYOQXJCONHF-UHFFFAOYSA-N 331.349 1.723 0 40 EDAB CCCCn1c(N)c(N(C)C(=O)c2cccc(OC)c2)c(=O)[nH]c1=O 7799585 SCAVGKPDCSULLO-UHFFFAOYSA-N 346.387 1.204 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)NCCN2CCN(C)CC2)c1 68845050 CUARDFIKMAEOFN-HNNXBMFYSA-N 333.432 1.020 0 40 EDAB COc1ccc(-c2cnc3n2CCN(C(=O)c2ccn(C)n2)C3)cc1 306142947 XOYCXNRTMZSTGB-UHFFFAOYSA-N 337.383 1.948 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)[C@H]2CSc3ccccc3O2)CC1 70016316 LTOUKXJBSNCCHD-UKRRQHHQSA-N 336.457 1.455 0 40 EDAB NC(=O)CCNC(=O)c1ccccc1NCCOc1ccccc1F 70040664 DXWZRFKBMNWXHV-UHFFFAOYSA-N 345.374 1.922 0 40 EDAB Cc1ccc(CC(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 69351926 BDUKQDHUCZGHKW-UHFFFAOYSA-N 339.395 1.210 0 40 EDAB CCOC(=O)C1CCN(CCCc2nnnn2-c2ccccc2)CC1 69414525 UHKSFXYURPQCMF-UHFFFAOYSA-N 343.431 1.870 0 40 EDAB Cc1ccccc1CN1CCCN([C@@H](C)C(=O)N2CCOCC2)CC1 69435106 CHHRKJXLTQYZHL-SFHVURJKSA-N 345.487 1.750 0 40 EDAB CN1CCN(C[C@H]2OC[C@@H]3CCN(Cc4cccc(F)c4)C[C@H]23)CC1 306135920 PEJZPTKVRANILE-YSIASYRMSA-N 347.478 1.910 0 40 EDAB CNC(=O)c1cccc(NC(=O)COC(=O)c2cccc(OC)c2)c1 9456388 MTWQOQVRYOOGQU-UHFFFAOYSA-N 342.351 1.850 0 40 EDAB Cn1cc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)c(=O)n(C)c1=O 93868360 PKWZNHHEVHNEAO-IRXDYDNUSA-N 343.427 1.172 0 40 EDAB O=C(COC(=O)c1ccccc1-n1cnnn1)c1ccc(F)cc1 9840045 HEPAOROGQIBGFE-UHFFFAOYSA-N 326.287 1.841 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cn1 71796877 YMHMFKISPFBNSY-BBRMVZONSA-N 330.432 1.875 0 40 EDAB Cc1nn(CCO)c(C)c1CN[C@H]1CCc2nc(C(C)C)nn2C1 71877280 SVAXQVKWYYFMHV-AWEZNQCLSA-N 332.452 1.312 0 40 EDAB CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCNC(=O)CC2)n1 71889020 AHHRZPUUDKSAEK-UHFFFAOYSA-N 342.399 1.996 0 40 EDAB Cc1nc(CN2CCCN(Cc3nc4ccccc4n3C)CC2)no1 71871626 PUGCNPMJNXALQI-UHFFFAOYSA-N 340.431 1.973 0 40 EDAB COC(=O)[C@H](c1ccc(F)cc1)N1CCN(Cc2noc(C)n2)CC1 71907402 QJZQSSQNRWPALS-INIZCTEOSA-N 348.378 1.549 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](CN2CCN(c3ncccn3)CC2)C1 71921529 ILOSIXPDBRFTMO-OAHLLOKOSA-N 347.463 1.856 0 40 EDAB CS[C@@H](C)C(=O)NCC1CCN(c2ncccc2C(N)=O)CC1 71916650 MHVNAKKDCBBHBV-NSHDSACASA-N 336.461 1.265 0 40 EDAB C[C@H](C(=O)NCc1ccccc1)N1CCC(O[C@@H]2CCOC2)CC1 84001206 PBFKIADEHNXVPD-CRAIPNDOSA-N 332.444 1.961 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)C1CCN(CC(F)(F)F)CC1)C2 72279134 ASPJQTNZECZAGM-CYBMUJFWSA-N 344.381 1.897 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)c3nccn4ccnc34)C2)no1 72294393 PZEZPTGRNBUJJY-NSHDSACASA-N 326.360 1.695 0 40 EDAB CCc1ccc([C@@H](C)N2CCN(CC(=O)N3CCOCC3)CC2)o1 97102018 GPNBXYHDPBVXNE-OAHLLOKOSA-N 335.448 1.379 0 40 EDAB CC(=O)N[C@@H](CC(=O)N[C@H]1CCc2nccn2C1)c1cccs1 97197962 QWYONLKQHOBGTK-STQMWFEESA-N 332.429 1.643 0 40 EDAB Cc1ccc(Cc2cnc(NC(=O)Cn3cn[nH]c3=O)s2)cc1 97102941 UCQAZYJUQNUITO-UHFFFAOYSA-N 329.385 1.566 0 40 EDAB CN(C[C@H](O)C(F)(F)F)C(=O)NCc1ccc(-n2cncn2)cc1 97375536 SPCMCXYCJSOPAB-LBPRGKRZSA-N 343.309 1.332 0 40 EDAB O=C(NCCO)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 97365537 MCJAXXWWYGVMLT-LLVKDONJSA-N 328.315 1.001 0 40 EDAB O=C(CN1CCN(c2nc(C3CC3)ns2)CC1)N1CCCCCC1 84544067 RIIJMBZWKAMTPL-UHFFFAOYSA-N 349.504 1.940 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)N(C)C[C@H](O)CN2CCN(C)CC2)cc1 95411164 MFUKHGURXSAMTD-AEFFLSMTSA-N 348.491 1.306 0 40 EDAB Cc1nnc(-c2cccc(C(=O)OCc3nc(O)cc(=O)[nH]3)c2)o1 95444279 MEIWXIBKPJQYGZ-UHFFFAOYSA-N 328.284 1.191 0 40 EDAB C[C@](O)(CNC(=O)Nc1ccc(-n2cccn2)nc1)c1ccco1 95962254 KPQPEPVRVHQULP-INIZCTEOSA-N 327.344 1.890 0 40 EDAB Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[C@@H](S(C)(=O)=O)C1)C2 95943062 ZPFHBBIOCPEVLJ-GDBMZVCRSA-N 337.441 1.643 0 40 EDAB C[C@@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@H]1O 89406594 PJUSGGGIHGVXSK-QMTHXVAHSA-N 337.807 1.713 0 40 EDAB COc1ccncc1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 89484098 GKPKDDAMGDZNKJ-OAHLLOKOSA-N 341.367 1.456 0 40 EDAB O=C(CO)N1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 89549317 DHVBXVAJILFITM-UHFFFAOYSA-N 347.198 1.035 0 40 EDAB O=C([C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)N1CC(O)C1 89598110 PUSPYDDZBVBCCI-QAQURRIXSA-N 332.444 1.397 0 40 EDAB O=C1NC[C@@H](C(=O)NCc2ccccc2COCc2ccccc2)N1 89836710 XTKQJMVJZHRZMF-KRWDZBQOSA-N 339.395 1.701 0 40 EDAB CC(C)OC[C@H](O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 89887771 LAZBFSGANQESKY-QAPCUYQASA-N 332.400 1.252 0 40 EDAB O=C1C[C@@H](Nc2cc(-c3ccccc3)nc3ncnn23)CN1C1CC1 89851107 RBXQYXYKURVUKH-CYBMUJFWSA-N 334.383 1.967 0 40 EDAB C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCc2ccc3c(c2)OCO3)CC1=O 89922168 FGQUFVAMNQQUIK-RAIGVLPGSA-N 331.372 1.224 0 40 EDAB C/C=C/c1ccc(OCC(=O)N2CCN(CCO)CC2)c(OC)c1 75568067 BAHIXMZCCPAFHP-ONEGZZNKSA-N 334.416 1.244 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)/C=C/c2ccnn2C)cc1 129647679 QCEOXVIAYPJNCO-MRZGDXHCSA-N 347.440 1.720 0 40 EDAB COC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 170549656 PAKGIUYNOZLBIX-UHFFFAOYSA-N 347.820 1.922 0 40 EDAB CN(CC(=O)NC1CCC2(CC1)OCCO2)C[C@@H]1CCCCO1 125981701 OJPPETMAUHUGGE-HNNXBMFYSA-N 326.437 1.289 0 40 EDAB CC(C)(C)NC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1 35312035 BYXQIDVAWPBEJX-UHFFFAOYSA-N 328.420 1.793 0 40 EDAB Cn1c(-c2cccs2)nn(CCNC(=O)c2ccccc2F)c1=O 36708583 MOUDLTUIOMITQD-UHFFFAOYSA-N 346.387 1.879 0 40 EDAB c1cc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)c2c(c1)OCO2 548677872 OZZKJCVNEQMRKC-CQSZACIVSA-N 337.383 2.144 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1C 408618177 DENWRJVXUJZWRG-LBPRGKRZSA-N 326.418 1.202 0 40 EDAB O=C1NCCN1[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 533491170 OABZWWMPUGEQJE-KRWDZBQOSA-N 325.416 1.862 0 40 EDAB CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CO)C(=O)O 218195020 LGOUXUNGDMLODC-HOSYDEDBSA-N 349.202 1.023 0 40 EDAB CCc1ccc(-c2noc(CN(C)[C@@H]3CCS(=O)(=O)C3)n2)cc1 32751267 KGUIPXXRSUUOPM-CQSZACIVSA-N 335.429 1.918 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(CCc2ccc3c(c2)CCO3)C1 72577504 KNSJLRVQYNCSKN-HNNXBMFYSA-N 338.473 1.425 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2ccccn2)[C@H]1c1ccccc1F 72241619 CMYADKCALXYLPW-SJORKVTESA-N 343.358 1.435 0 40 EDAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)NC[C@@H]1CCCO1 73387864 BYZQQNRDDLGHRJ-KRWDZBQOSA-N 330.428 1.877 0 40 EDAB COCC(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 72321772 CWIQHONCBJOXIL-HBJVGIJOSA-N 333.306 1.046 0 40 EDAB biogenic,in-vitro COC(=O)Nc1ccc(CNC(=O)CCN2C(=O)CCC2=O)cc1 47374121 MSPCQZSNSBNKNL-UHFFFAOYSA-N 333.344 1.020 0 40 EDAB Nc1ccc(-c2ccc(N3C(=O)N[C@H]4CS(=O)(=O)C[C@@H]43)cc2)cc1 40167327 FAGKCBLWLBUXOA-HOTGVXAUSA-N 343.408 1.631 0 40 EDAB O=C(NC[C@H]1CC[C@H](O)C1)NC1CCN(CCc2ccncc2)CC1 225584200 DBQGZTFGHRBGKQ-WMZOPIPTSA-N 346.475 1.549 0 40 EDAB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc[nH]c1=O 44226006 MKJKXLMMKRHAME-WDEREUQCSA-N 335.385 1.111 0 40 EDAB Cc1ccsc1C(=O)N1CCN(c2nccn3c(C)nnc23)CC1 225800111 PDKNDCFYMXXVGZ-UHFFFAOYSA-N 342.428 1.765 0 40 EDAB COC[C@H]1C[C@@H](NC(=O)c2cc(C)oc2C(F)(F)F)[C@H](O)[C@@H]1O 225508116 TZJKIORIHPMLQA-WKJUBOCMSA-N 337.294 1.093 0 40 EDAB biogenic,in-vitro CC[C@@H](CNS(=O)(=O)c1cccc(C(=O)OC)c1)N1CCCC1 48237791 VKLJLJWLOMQJDQ-AWEZNQCLSA-N 340.445 1.626 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)n1)c1c(F)cccc1F 224216442 FANOAABWAMZVDI-UHFFFAOYSA-N 334.326 1.521 0 40 EDAB Cc1cnc2n(c1=O)C[C@H](C(=O)NCCOc1ccccc1)CS2 85473779 PSSPTPFQOVIYOB-ZDUSSCGKSA-N 345.424 1.469 0 40 EDAB CC(C)N1CCO[C@@H](C(=O)NC2CCN(Cc3cccnc3)CC2)C1 225559651 DTCYNCJDYFLVLD-GOSISDBHSA-N 346.475 1.271 0 40 EDAB CN1C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccco3)cc21 227161770 HREGLHDBZNRYMQ-UHFFFAOYSA-N 336.369 1.456 0 40 EDAB COc1ccccc1C1=NO[C@@](C)(C(=O)N2CCN(C(C)=O)CC2)C1 222285199 OXFBWUYBDDIOCD-GOSISDBHSA-N 345.399 1.269 0 40 EDAB Cn1nccc1COCC(=O)N1Cc2ccc(O)cc2C2(CC2)C1 576590469 ONECQFGMOMORIS-UHFFFAOYSA-N 327.384 1.716 0 40 EDAB O=C(O)c1ccc(CNC[C@H]2COCc3nc4cccnc4n32)cc1 96112786 WKXAEVLGCVAXRQ-AWEZNQCLSA-N 338.367 1.991 0 40 EDAB biogenic,in-vitro C[C@H]1CN(Cc2cccc(F)c2)C[C@@]12CCN(CC(=O)N(C)C)C2=O 96070303 LXYBPMJWPXNLIT-LIRRHRJNSA-N 347.434 1.584 0 40 EDAB O=C(C1CCOCC1)N1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 96050821 KEAFBCKUKVDXEN-SFHVURJKSA-N 329.400 1.464 0 40 EDAB O=C1NC2(CCN(C(=O)c3ccncc3)CC2)C[C@H]1c1cccnc1 96061390 YHCOMIGEARLGOK-INIZCTEOSA-N 336.395 1.755 0 40 EDAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(Cc1nccn1C)CC2 96201563 APOSXZOCFLRESZ-AWEZNQCLSA-N 332.448 1.412 0 40 EDAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCCc1nccs1 95472985 YVJSJILFHWPGMU-UHFFFAOYSA-N 346.387 1.659 0 40 EDAB O=C(c1ccccn1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 96108783 GAXWPKCAYQMDRG-VQIMIIECSA-N 346.427 1.613 0 40 EDAB O=C(NCc1noc(C2CC2)n1)N1CC[C@H](n2cc(Cl)cn2)C1 578900136 CJXSQXCENSHZHQ-NSHDSACASA-N 336.783 1.954 0 40 EDAB COCCO[C@@H]1CCN(Cc2cnn(C)c2)[C@H]1Cc1cnn(C)c1 96200213 LXBPWRCBAVSMTR-DLBZAZTESA-N 333.436 1.002 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccc(C)nc2)Cc2nnn(CC3CC3)c21 96045578 MWAYNBYVTCHCAJ-HNNXBMFYSA-N 341.415 1.778 0 40 EDAB NC(=O)[C@@H]1CCCN1Cc1csc(CC(=O)Nc2ccccc2)n1 96443322 XFVZAISATFXVEA-AWEZNQCLSA-N 344.440 1.774 0 40 EDAB Cc1nc(CN2CCC3(C2)CN(C(=O)c2ccnn2C)C3)cs1 96202523 NJZDDWWYPDDMEH-UHFFFAOYSA-N 331.445 1.533 0 40 EDAB C[C@H]1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)O1 583622042 HAYXQZGSONJUEK-IGQOVBAYSA-N 336.436 1.673 0 40 EDAB O=C(c1ccoc1)N1CCOC[C@]2(CCN(C3CCOCC3)C2)C1 96202051 IGLHBNJWADKGEM-SFHVURJKSA-N 334.416 1.623 0 40 EDAB CCCS(=O)(=O)N1CCOC[C@]2(CCN(Cc3ccco3)C2)C1 96202161 OODVVNUOMCTZDS-INIZCTEOSA-N 342.461 1.544 0 40 EDAB Cc1occc1C(=O)N1Cc2nnn(C)c2[C@@H](COCCN(C)C)C1 96060679 JHGIWFTWCJBGEN-CYBMUJFWSA-N 347.419 1.034 0 40 EDAB O=C(NCc1ccco1)[C@H]1COC[C@H]2CN(c3ncccn3)C[C@H]21 96040759 XBDWEVYACUMVJN-YUELXQCFSA-N 328.372 1.085 0 40 EDAB Cc1ccc(N2CC[C@@H]3OCCC[C@]3(COCCN(C)C)C2)nn1 96039527 OMHCDEXDTBZELL-FUHWJXTLSA-N 334.464 1.739 0 40 EDAB Cc1noc(CCNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)n1 248699469 AAJMVVGOXDKONI-CJNGLKHVSA-N 343.431 1.740 0 40 EDAB COCC(=O)N1CC2(C[C@H](OCc3csc(C)n3)CS2)C1 247996032 AGYFQKSXOGQSSY-LBPRGKRZSA-N 328.459 1.701 0 40 EDAB Cc1ccc2nc(C(=O)N3CCO[C@H](c4cccc(N)n4)C3)cn2c1 257228553 FUGPETJPGSLWBT-HNNXBMFYSA-N 337.383 1.834 0 40 EDAB CN(C)Cc1cnc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)[nH]1 257322375 WFSPNLXRYAQMCQ-OAHLLOKOSA-N 346.435 1.048 0 40 EDAB C[C@H]1CN(c2cccc(C3CCN(S(C)(=O)=O)CC3)n2)C(=O)O1 257253340 JYMXPNBRPGYJSS-NSHDSACASA-N 339.417 1.566 0 40 EDAB COc1ccccc1CC(=O)N1CCO[C@@H](c2ccnc(C)n2)C1 257310217 UEEXPBYGRIIRID-QGZVFWFLSA-N 327.384 1.936 0 40 EDAB NC(=O)C1CCN(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 42948345 MYCBMMMINDYDIW-AWEZNQCLSA-N 330.432 1.420 0 40 EDAB COc1ccccc1CC(=O)N1CCO[C@H](c2nc(C)cc(O)n2)C1 257239312 HOTFMQAHWNPUSJ-HNNXBMFYSA-N 343.383 1.642 0 40 EDAB CC(=O)N1CCN(Cc2cccc(Cl)c2)C[C@@H](C(=O)N(C)C)C1 257328056 XDXSDRYQXFLBMZ-OAHLLOKOSA-N 337.851 1.709 0 40 EDAB COCCN1CCC(NC(=O)Cc2ccc(OC)c(OC)c2)CC1 85467975 AVVMTZVBKGMQFZ-UHFFFAOYSA-N 336.432 1.473 0 40 EDAB CN1CCN(c2ncc3c(n2)CCN(C(=O)OC2CCC2)C3)CC1 1616033073 ZXWCXTFWHYBTFS-UHFFFAOYSA-N 331.420 1.276 0 40 EDAB Cc1ncc(S(=O)(=O)N2CCc3ccccc3[C@H]2C(=O)O)n1C 630447175 PSEHIZPFQNEQCV-AWEZNQCLSA-N 335.385 1.101 0 40 EDAB CCN1CCN(C2CCN(c3cncc(-n4cccn4)n3)CC2)C1=O 595881383 JHFCZSWSJPHHFW-UHFFFAOYSA-N 341.419 1.389 0 40 EDAB CC(C)[C@H](NCCOCCO)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1615000694 CAWOXEUUBHSWNF-CABCVRRESA-N 330.469 1.867 0 40 EDAB CC[C@@H](C)[C@@H](C(=O)Nc1ccc(Cn2cncn2)cc1)n1cnnn1 1615154352 FVCJDMJDDFPYBG-DOMZBBRYSA-N 340.391 1.539 0 40 EDAB CCOc1ncccc1C(=O)NCCn1ccc2ccn(C)c2c1=O 575414955 TYIUXPMCVDJSFT-UHFFFAOYSA-N 340.383 1.564 0 40 EDAB Cn1cnc(C(=O)N2CC3(C[C@@H](Oc4ccccn4)CS3)C2)c1 575406094 VPTHKWZESPGKSV-GFCCVEGCSA-N 330.413 1.594 0 40 EDAB Cc1ccccc1C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NC2CC2)C1 585108570 VMEPTRRSFXAADC-VQIMIIECSA-N 328.412 1.895 0 40 EDAB CNc1cnc(C(=O)N2CC[C@@](COc3ccccc3)(OC)C2)nc1 585276074 JDDNBLUTJAGMMH-GOSISDBHSA-N 342.399 1.828 0 40 EDAB Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)C(F)(F)C2)ccc1F 584804214 HKCBZKFIULINJD-SNVBAGLBSA-N 337.319 1.865 0 40 EDAB Cc1cnccc1C(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 585277273 LRJPJOFHGJPRJB-LJQANCHMSA-N 326.396 1.836 0 40 EDAB CCOCC(=O)N1Cc2cncn2[C@H](C(=O)NCc2cccs2)C1 585096046 OVWLWPGJYGNIKB-AWEZNQCLSA-N 348.428 1.181 0 40 EDAB C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)C1CCC1 585098497 UFBFRQMAJJZUPH-ZDUSSCGKSA-N 328.416 1.527 0 40 EDAB Cc1ccc(OC[C@]2(O)CCN(C(=O)Cc3ccncc3)C2)cc1 585277819 PTCDFFAGVMYMHF-IBGZPJMESA-N 326.396 1.975 0 40 EDAB O=C(CCc1ccno1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585277848 QDNFCKCEFWETAM-KRWDZBQOSA-N 334.347 1.789 0 40 EDAB Cc1c[nH]cc(C(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)c1=O 679722383 JGCNAMORWXJPMX-LBPRGKRZSA-N 328.372 1.964 0 40 EDAB Cc1ccc([C@H](C)NC(=O)NCc2ccc(S(N)(=O)=O)cc2)o1 47619241 BMDAWUUJBVQPLM-NSHDSACASA-N 337.401 1.796 0 40 EDAB NC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 54703887 PLPRZBDPPKOEQQ-XJKSGUPXSA-N 329.400 1.120 0 40 EDAB O=C(CNC(=O)c1cccs1)Nc1cccc2c(=O)[nH]nc(O)c12 58214816 UNCZUAQTEDADHQ-UHFFFAOYSA-N 344.352 1.059 0 40 EDAB CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1c(C)nn(C)c1C)CC2 69876661 VKGXBKQSLKUTKK-WCQYABFASA-N 345.451 1.122 0 40 EDAB O=Cc1ccc(OCC(=O)NCCCN2CCCCCC2=O)cc1 75572686 YHDKOGRQUJUJLL-UHFFFAOYSA-N 332.400 1.787 0 40 EDAB O=C([C@@H]1CCCN(c2ncnc3ccc(F)cc23)C1)N1CCOCC1 77301229 WOLYQJCMQMVURF-CYBMUJFWSA-N 344.390 1.844 0 40 EDAB O[C@@H](COCc1ccccc1)CN1CCN(c2ccncc2)CC1 95415852 SZRHLQDTZCESSZ-LJQANCHMSA-N 327.428 1.781 0 40 EDAB CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cnn(C)c1 1609214018 GRPTVKKDCYOTOM-UHFFFAOYSA-N 325.376 1.653 0 40 EDAB C[C@]1(CNC(=O)NCc2ccn(-c3ccc(F)cc3)n2)CCC(=O)N1 1615627430 ZPHIOIDIDIVIHO-QGZVFWFLSA-N 345.378 1.479 0 40 EDAB O=C1NC[C@@]2(CCCN(CC(=O)N3CCCC3)C2)Oc2ccccc21 12087280 BAFZXRPGOBCTRG-LJQANCHMSA-N 343.427 1.266 0 40 EDAB CCn1ccnc1N1CCN(C(=O)c2c(OC)cccc2OC)CC1 12444633 SICZHFUAIJGWOK-UHFFFAOYSA-N 344.415 1.883 0 40 EDAB Cc1cccc(-n2c(-c3ccco3)nn(CC(=O)N(C)C)c2=O)n1 13227639 GMPCXLQLSLRUHR-UHFFFAOYSA-N 327.344 1.086 0 40 EDAB C[C@@H](C(=O)NCCCN(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 13671684 YEACFEYFIPPWIL-LBPRGKRZSA-N 345.440 1.048 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)C)cc1 16691809 CQKWBDKZURDYOG-UHFFFAOYSA-N 328.434 1.478 0 40 EDAB O=C(c1ccccc1)N1CCO[C@@H](c2nc(-c3ncccn3)no2)C1 19368903 IRQHCUWEZFANTR-CYBMUJFWSA-N 337.339 1.740 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)CN2C(=O)N(C)N(C)c3ncccc32)C1 19462484 JUAOWABFCMAHKR-STQMWFEESA-N 331.420 1.809 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N3CC[C@@H](c4ccccc4)C3)cnc21 19656440 AWOXVOBABQQATF-CQSZACIVSA-N 337.383 1.146 0 40 EDAB Cc1nc(N)ncc1C(=O)N1CCC[C@@](C)(C(=O)NC2CCCC2)C1 19746644 IDAUHBVAVCOVQP-GOSISDBHSA-N 345.447 1.668 0 40 EDAB Cc1[nH]c2cccc(C(=O)N3CC(C(=O)N4CCOCC4)C3)c2c1C 19747449 KEDVCNUNACZVEX-UHFFFAOYSA-N 341.411 1.716 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C(F)(F)F)C[C@H](C1)C2=O 169804877 AKBJEAUCFQISHM-DTORHVGOSA-N 336.310 1.443 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCC2CCN(C)CC2)c1 22999703 FHJZCWGOWNKIQD-UHFFFAOYSA-N 328.434 1.324 0 40 EDAB Nc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43 2491674 NRGHCWQGTHPFTE-KGSDWGHESA-N 349.434 1.675 0 40 EDAB Cc1ccnc(N2C[C@@H]3CN(Cc4nc(C(C)C)no4)C[C@H]3C2)n1 1888843429 NKAQJIWIFWZHSS-KBPBESRZSA-N 328.420 1.860 0 40 EDAB CN([C@H]1CCN(c2ncnc3cnccc23)C1)S(=O)(=O)C1CC1 1888856974 DNAUBTJYMXFJGZ-NSHDSACASA-N 333.417 1.028 0 40 EDAB Cc1ncc(C(=O)N2CC[C@@H]3C[C@]32C(=O)N2CCC(C)CC2)c(C)n1 2056225232 KPGDBHRWCXZXQY-DNVCBOLYSA-N 342.443 1.957 0 40 EDAB COc1ccnc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)n1 2086988566 SSGJRTZBJMRGCB-UHFFFAOYSA-N 349.398 1.664 0 40 EDAB c1nc(N2CC[C@@H](COc3ccc4nccn4n3)C2)c2c[nH]nc2n1 2087063148 AUSPRZYURRLLNO-LLVKDONJSA-N 336.359 1.301 0 40 EDAB O=C(N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1)c1cscn1 2055734507 DUMKPWYMSALHKA-JTQLQIEISA-N 346.412 1.558 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H]3OCC[C@@]3(C(=O)N3CCCC3)C2)o1 2055773034 NDWVZJVKDYOCTP-CRAIPNDOSA-N 332.400 1.832 0 40 EDAB COc1cnc(O[C@@H]2CCN(c3cc(C(F)(F)F)ncn3)C2)nc1 2086884535 HIHSRVUXZQCLFD-SECBINFHSA-N 341.293 1.952 0 40 EDAB COc1ccc(O[C@H]2CCN(C(=O)COc3ccccc3C)C2)nn1 225434824 OEXIWSNSDIOPOA-AWEZNQCLSA-N 343.383 1.852 0 40 EDAB CN1c2ccc(F)cc2N(CC(=O)Nc2nccs2)S1(=O)=O 575609559 YKIYXEBITBYPEX-UHFFFAOYSA-N 342.377 1.422 0 40 EDAB COc1ccccc1N1CCC(NC(=O)NCCn2ccnc2)CC1 50110181 UGWKXADDNPGGRQ-UHFFFAOYSA-N 343.431 1.860 0 40 EDAB CCN(CC)S(=O)(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 40488044 UYEDMHWMQCPPGC-CQSZACIVSA-N 345.465 1.138 0 40 EDAB CCc1ccccc1Nc1nc(N)nc(CN2CCC(O)CC2)n1 40460099 FXEHXAPNAGXLMH-UHFFFAOYSA-N 328.420 1.717 0 40 EDAB CCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C[C@@]23C=C[C@H]1O3 100833645 HJQFIYOXJTWIPH-OLMMMNRUSA-N 343.379 1.935 0 40 EDAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1(C)C 32242735 RAEBDELUFFUJKX-NVXWUHKLSA-N 333.476 1.648 0 40 EDAB CS(=O)(=O)c1ccccc1-n1cc(NC(=O)c2cnsn2)cn1 75606914 ZQAXAFDZTBVRRM-UHFFFAOYSA-N 349.397 1.380 0 40 EDAB O=C(NCCN1CCCCCC1=O)c1ccc(-n2ccnc2)nc1 32742326 CPUWCYBMMUJTEO-UHFFFAOYSA-N 327.388 1.400 0 40 EDAB CO[C@@H](C)c1noc(CN(C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)n1 81576932 IOBRCEUNYZUMOG-WCQYABFASA-N 348.407 1.138 0 40 EDAB CC(C)NC(=O)OCC[S@](=O)c1c(Cl)c(Cl)nn1C 4643012 VFALHXWQOVJNQU-LJQANCHMSA-N 328.221 1.969 0 40 EDAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N3CC(=O)Nc2ccccc2)cc1 102437007 QRIOWZYYJKMKIE-IRXDYDNUSA-N 335.363 1.560 0 40 EDAB COC(=O)[C@]12C(=O)N[C@@H](Cc3ccccc3)[C@H]1[C@@H](C)C(C)=C[C@H]2CO 6415445 QPXYJXNTJAUDTG-KXENWXKVSA-N 343.423 1.708 0 40 EDAB CCCNS(=O)(=O)c1ccc(CCC(=O)NCCCOC)cc1 6880235 MREXGMIAXOJMRZ-UHFFFAOYSA-N 342.461 1.460 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(CCOc2ccc(Cl)cc2)C1 52669436 LPPXQJZULBKWTF-ZDUSSCGKSA-N 332.853 1.732 0 40 EDAB CCn1ncc2nc(-c3cc(OC)c(OC)cc3OC)[nH]c(=O)c21 8340184 XBDJUEDZTROUMF-UHFFFAOYSA-N 330.344 1.832 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](O[C@H](O)CN1CCN(CCO)CC1)C2 104491794 UNIVYCDNGGXPIN-DFGXFYAUSA-N 326.481 1.146 0 40 EDAB COc1ccc(C(N)=O)c(OCC(=O)N2CCc3sccc3C2)c1 22320166 KLLWDWCXCAGNDU-UHFFFAOYSA-N 346.408 1.819 0 40 EDAB O=C1C=C(Nc2cccc(OCCO)c2)C(=O)N1Cc1ccccc1 12325172 HYUUKBOAHTYWCT-UHFFFAOYSA-N 338.363 1.923 0 40 EDAB O=C1CN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CCN1 22967946 LLCRNZILVNZDJJ-UHFFFAOYSA-N 337.379 1.760 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(c2ccccn2)CC1 23424313 RPVIKUCEIPVXIT-UHFFFAOYSA-N 343.431 1.416 0 40 EDAB COCCN1CCN(CC(=O)N(C)Cc2ccsc2)C[C@H]1C 70011648 JLIIEBFWVZCKED-CQSZACIVSA-N 325.478 1.359 0 40 EDAB CN(C)S(=O)(=O)CCCN1CCC[C@@H]1c1noc(C2CC2)n1 76047647 DHXNGKOLWHPOSW-GFCCVEGCSA-N 328.438 1.365 0 40 EDAB CCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H](C)C(C)C 70039200 QSWXIEWTNIDSNS-AWEZNQCLSA-N 335.448 1.533 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 23983432 YQYWTVDICYFWPG-CYBMUJFWSA-N 339.413 1.505 0 40 EDAB CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1 1282722 GZCHEJXFFDILCF-UHFFFAOYSA-N 334.401 1.487 0 40 EDAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccncc1 24975509 PCRAHDNTCXZWPI-UHFFFAOYSA-N 328.303 1.354 0 40 EDAB COCCN1CCN(Cc2nnnn2-c2cc(C)ccc2F)C[C@@H]1C 106776867 QYSBSAXJCDLPDO-AWEZNQCLSA-N 348.426 1.262 0 40 EDAB C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 25320858 YMYKVPOVTIISCV-GXFFZTMASA-N 330.837 1.941 0 40 EDAB COc1ccccc1C(=O)NC[C@@H](c1cccn1C)N1CCOCC1 21152295 MZKRXYVTUMMURA-KRWDZBQOSA-N 343.427 1.837 0 40 EDAB CC(C)CN(CC(N)=O)CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 26128345 XAIUMLSQLFHXDD-NEPJUHHUSA-N 337.386 1.667 0 40 EDAB O=C(c1ccc(NC2CC2)nc1)N1CCC(CN2CCOCC2)CC1 57215707 PQPQQUIXJCJCHC-UHFFFAOYSA-N 344.459 1.840 0 40 EDAB C[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccc(-c2ccccc2)cc1 57383080 CCKWDEXVQJRERT-OAHLLOKOSA-N 337.423 1.963 0 40 EDAB Cc1ccccc1OCC(=O)OCn1nnc2ccccc2c1=O 3239704 NKNMKDBTEAGMMS-UHFFFAOYSA-N 325.324 1.680 0 40 EDAB COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 58159373 MJJIYJCHAXKUAK-AOOOYVTPSA-N 331.365 1.410 0 40 EDAB Cc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccccc1 24034990 PITBWKXWGYBORW-UHFFFAOYSA-N 332.425 1.932 0 40 EDAB Cc1cc(C)cc(OC[C@H](O)CN2CCN(c3ncccn3)CC2)c1 44866870 BSPJDHFDLIMNRY-QGZVFWFLSA-N 342.443 1.655 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)Nc4cccnc4)CC3)ncnc21 44895830 UHJQJAZOUOSQRV-UHFFFAOYSA-N 338.375 1.112 0 40 EDAB CN1CCCN(C)CCN(CCc2ccccn2)CCCN(C)CC1 68605087 VRYDIPCPHODKET-UHFFFAOYSA-N 347.551 1.515 0 40 EDAB Cc1ccc(C(=O)NCCNC[C@@H]2CNc3ccnn3C2)cc1F 58298998 HOJGEBHPROWRDB-CYBMUJFWSA-N 331.395 1.392 0 40 EDAB Cc1cc(=O)c(C(=O)N2C[C@H](C)OC[C@H]2C)nn1-c1ccccc1F 44909509 CJWNJJFIKKEXTJ-OLZOCXBDSA-N 345.374 1.929 0 40 EDAB CCOc1cccc(CNC(=O)N2CCN(c3cnccn3)CC2)c1 44968671 XMPGVNRVQYKYHD-UHFFFAOYSA-N 341.415 1.907 0 40 EDAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 36406138 LQJHHSVLNQTBJY-UHFFFAOYSA-N 342.399 1.688 0 40 EDAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)CNC1=O 3336157 DHRNSPDZRYUDOL-SSDOTTSWSA-N 326.150 1.328 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCc2ccc(F)c(F)c2)C1 29202779 GPTBGAJYXDYEPT-GFCCVEGCSA-N 346.399 1.438 0 40 EDAB Cc1cc(N(C)C)ccc1NC(=O)NC[C@H]1CCS(=O)(=O)C1 48356621 QPPKNEIFAYLZGW-GFCCVEGCSA-N 325.434 1.617 0 40 EDAB O=c1cc(NCc2cccc(Cn3cncn3)c2)nc2ccccn12 69485112 BEEKEGZDROULBR-UHFFFAOYSA-N 332.367 1.946 0 40 EDAB Cc1ccc(NC(=O)c2nnc(CSc3nnnn3C)s2)cc1 12815174 CIUPOLQWGFCIRN-UHFFFAOYSA-N 347.429 1.915 0 40 EDAB CCNC(=O)NCCCOC(=O)c1ccc2c(c1)CCN2C(C)=O 68037419 GQBACSJQXDRZOP-UHFFFAOYSA-N 333.388 1.462 0 40 EDAB O=C1C[C@H](C(=O)Nc2nnc(-c3ccccn3)[nH]2)c2ccccc2N1 69432034 QHUZYGXQHNWUNT-NSHDSACASA-N 334.339 1.931 0 40 EDAB COc1ccccc1C(=O)N[C@H](C(=O)NCc1n[nH]c(C)n1)C(C)C 69416285 HSPIWHOEGPYMSO-HNNXBMFYSA-N 345.403 1.193 0 40 EDAB CC(C)NC(=O)COC(=O)c1nn(C(C)C)c(=O)c2ccccc12 3414362 BVAJFWKPTVJSHQ-UHFFFAOYSA-N 331.372 1.659 0 40 EDAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCCC1 13003109 HHJCNFSOSRCMQM-OAHLLOKOSA-N 349.456 1.762 0 40 EDAB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1ccc2c(c1)nnn2C 69561357 SPZIZLLANRMIJS-AWEZNQCLSA-N 347.444 1.352 0 40 EDAB COC[C@H](C)NC(=O)CSc1nc2ccccc2c2nc(C)nn12 13228940 VINWHLXAWBOVCL-JTQLQIEISA-N 345.428 1.829 0 40 EDAB CCCC(=O)NCC(=O)NCCc1coc(-c2ccc(OC)cc2)n1 69657170 OLLPHINDRRLIBO-UHFFFAOYSA-N 345.399 1.925 0 40 EDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2ccccc2)CC1 13526778 MCCXVUWYFIUJQI-IRXDYDNUSA-N 325.412 1.717 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCCN(Cc2nccn2C)CC1 69814885 FRGAWUPJDMMYRF-UHFFFAOYSA-N 344.463 1.047 0 40 EDAB COCC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1Cn1cc(C)cn1 69703111 QALCKMSRCWDCEN-HOTGVXAUSA-N 336.436 1.114 0 40 EDAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NC1CCCC1 5184091 UGWPFWPHVGJKGS-SNVBAGLBSA-N 329.356 1.527 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)NCc1nc2ccccc2[nH]1 49936359 PREZSKATIVLJCK-UHFFFAOYSA-N 339.380 1.651 0 40 EDAB O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1)[C@@]1(C3OCCO3)C=C[C@H]2O1 409285988 VHPVVWPOALRPKC-HPTBWKMGSA-N 347.754 1.526 0 40 EDAB CCc1nnsc1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 69929171 GGLDUGOKJWJKNX-LBPRGKRZSA-N 326.466 1.265 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)CC[C@@H]2CCCO2)CC1 69973173 TZMGDXRJWQNTAP-INIZCTEOSA-N 334.464 1.897 0 40 EDAB Cc1ccccc1OCC(=O)N1CCCN(c2cccnn2)CC1 69947752 ONTPLBKMASWMBQ-UHFFFAOYSA-N 326.400 1.903 0 40 EDAB COC[C@H](C)NC(=O)CS(=O)(=O)c1c(Cl)cccc1Cl 65390707 MGHHKVJXEBGFLJ-QMMMGPOBSA-N 340.228 1.918 0 40 EDAB CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)c2cccnc2C1=O 65479798 RADQYEDPMYVDAI-UHFFFAOYSA-N 341.342 1.865 0 40 EDAB Cc1ccc([C@H](CNC(=O)NC[C@H](C)N(C)C)N2CCOCC2)o1 65444370 ZOTYOIWAJXEBAN-ZFWWWQNUSA-N 338.452 1.211 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 4468655 AYILUTYKNFFDIB-BFUOFWGJSA-N 343.427 1.931 0 40 EDAB Cc1ccc([C@@H](CNC(=O)Cc2nc3ncccn3n2)N(C)C)cc1 65564570 MWCOPYGSYKLBPM-OAHLLOKOSA-N 338.415 1.394 0 40 EDAB CCOC(=O)c1nc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)sc1C 71280602 HHQYCDDZOQZUKE-JGVFFNPUSA-N 326.374 1.924 0 40 EDAB C[C@H]1CCc2c(sc(N)c2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 6455802 GCEXZGJFRJFHRJ-IUCAKERBSA-N 328.459 1.372 0 40 EDAB COC(=O)c1cccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 8778137 NSHWDGLPXCDZOJ-MLGOLLRUSA-N 334.397 1.866 0 40 EDAB Cc1cnc(CNC(=O)[C@H]2CN(CC3CC3)Cc3ncn(C)c32)cn1 306124738 BXZDCELRFBLVJR-HNNXBMFYSA-N 340.431 1.144 0 40 EDAB C[C@H](Sc1nncn1C)C(=O)c1ccc(NS(C)(=O)=O)cc1 7026389 KLAIKPUGUGLNRP-VIFPVBQESA-N 340.430 1.550 0 40 EDAB C[C@@H](SCc1cccc(F)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 15492622 VAYNWNKWCJYRNV-ZWNOBZJWSA-N 331.434 1.751 0 40 EDAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1cccc3nonc13)C2 90168587 PMYXTFBZZBWWIO-JTQLQIEISA-N 333.373 1.021 0 40 EDAB CCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7542690 DCFBDTWMQNFULV-UHFFFAOYSA-N 336.457 1.808 0 40 EDAB O=C(CNC(=O)c1ccc(Br)o1)NCc1cccnc1 7782163 ZYFZRKXTFBYFAQ-UHFFFAOYSA-N 338.161 1.483 0 40 EDAB O=C(c1ccccn1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 7785211 IALQFFSOCNXFEF-UHFFFAOYSA-N 345.424 1.369 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2O1 7827967 YUYHZFBFOODUIE-DLBZAZTESA-N 338.363 1.530 0 40 EDAB CN(C)C(=O)CN1CCC(NC(=O)c2ccc3c(c2)CCCC3)CC1 68600145 KDPPIVUMSLDAFF-UHFFFAOYSA-N 343.471 1.848 0 40 EDAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)N1C[C@H]2[C@H](O)CC[C@H]2C1 96010783 CYFWBZUUDDIQFH-JCURWCKSSA-N 329.375 1.783 0 40 EDAB COC(=O)C1(NC(=O)c2ccc(C)cc2C)CCS(=O)(=O)CC1 84133174 DQIONTIJDRFDGX-UHFFFAOYSA-N 339.413 1.154 0 40 EDAB COC(=O)c1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)oc1C 9476877 DLSHWKWDVGTGMU-CYBMUJFWSA-N 325.328 1.821 0 40 EDAB COc1ccc(OC)c(CN2CCC(N3CCN(C)CC3)CC2)c1 19889831 JMZRCEPYMSSQFP-UHFFFAOYSA-N 333.476 1.916 0 40 EDAB O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)N1CCS(=O)(=O)CC1 96415572 COOWRMOJNHICEV-JKSUJKDBSA-N 336.457 1.838 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)N1CCCC[C@@H]1Cn1cccn1 71865291 JJKYIVLKRFSYTR-CQSZACIVSA-N 327.450 1.335 0 40 EDAB C[C@H](CC(=O)NCc1cnn(C)c1)S(=O)(=O)c1ccc(F)cc1 71847402 LSPKNKWJNSDNPT-LLVKDONJSA-N 339.392 1.428 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H](Cn3nc(C)nc3C)C2)on1 71875114 RMMIFFVTLFIRES-DOMZBBRYSA-N 346.435 1.931 0 40 EDAB C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)CCN1C(=O)CCC1=O 71894286 PNAFLGOTIBGEGA-TYILLQQXSA-N 344.411 1.903 0 40 EDAB COCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2F)C1 71920368 YLKFFAFVDYQYEZ-SNVBAGLBSA-N 343.786 1.255 0 40 EDAB CN1CCO[C@@H](CNCCC(=O)NCc2ccccc2Cl)C1 72267887 BIHNKOOELAFPAN-AWEZNQCLSA-N 325.840 1.267 0 40 EDAB CCc1ccc(N2C[C@@H](C(=O)NC[C@@]3(O)CCSC3)CC2=O)cc1 72310451 SOVROQOVUQWJIQ-KSSFIOAISA-N 348.468 1.586 0 40 EDAB COc1ncnc2c1CN([C@H](C)c1nnnn1-c1ccccc1)CC2 97201830 HNLHDDHLKGADOI-GFCCVEGCSA-N 337.387 1.580 0 40 EDAB Cc1ccc2[nH]nc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)c2c1 97255520 VKAZDYHVOIBCRJ-UHFFFAOYSA-N 343.431 1.154 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N1CCN([C@@H]3CCOC3)CC1)C2 79103395 ISWIKBDJWKJEER-JKSUJKDBSA-N 346.427 1.179 0 40 EDAB C[C@@H]1CN(C(=O)CNc2ccccc2N2CCC(O)CC2)CCO1 79183064 ZPQXDUXYNUERMG-CQSZACIVSA-N 333.432 1.307 0 40 EDAB COc1ccsc1S(=O)(=O)NC[C@@H](c1ccco1)N(C)C 79107777 IORGJPYIHWEKMF-JTQLQIEISA-N 330.431 1.931 0 40 EDAB CN1C[C@H](C(=O)/N=c2\[nH]c3ccccc3n2-c2ccccc2)CC1=O 79316541 ZNXILNMTHPNFMV-CYBMUJFWSA-N 334.379 1.864 0 40 EDAB CCS(=O)(=O)NCCNCc1ccc(Cl)c2cccnc12 95415422 FZGVMNVPRDXOAG-UHFFFAOYSA-N 327.837 1.917 0 40 EDAB Cc1ccc(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)o1 95435854 MYTHUJMGBNWGRU-UHFFFAOYSA-N 340.387 1.156 0 40 EDAB Cc1n[nH]c(-c2ccc(C(=O)N[C@H](C)CCN3CCOCC3)cc2)n1 73620179 BXKDIVAGRRTDTK-CYBMUJFWSA-N 343.431 1.621 0 40 EDAB CCCc1noc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 73688189 INFGYFWGBCGCDY-LLVKDONJSA-N 338.433 1.863 0 40 EDAB CCCn1nc(C(=O)NCCCC(C)(C)C2OCCO2)ccc1=O 74089408 JQXOWECZJHVICG-UHFFFAOYSA-N 337.420 1.562 0 40 EDAB C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCC(C)(CO)CC1 95941069 XPCUGVCDWYGZJL-XVJNWHFHSA-N 330.428 1.826 0 40 EDAB C[C@H](NCC(=O)NC[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 95984185 DPFGQKZVVJJRNZ-NWDGAFQWSA-N 344.864 1.542 0 40 EDAB O=S1(=O)CC[C@H](N2CCN(c3ncnc4ccsc34)CC2)C1 95946703 SHPSUMYPKVYKEO-NSHDSACASA-N 338.458 1.000 0 40 EDAB CCN1CCN([C@@H](C)CNC(=O)c2ccc3cncn3c2C)CC1 95993679 BGMRXQIYWXIYHE-AWEZNQCLSA-N 329.448 1.399 0 40 EDAB c1cc2nccc(NC[C@H]([C@H]3CCOC3)N3CCOCC3)c2cn1 75094573 BMLMIRFAICDZHY-KBXCAEBGSA-N 328.416 1.779 0 40 EDAB CN(C)[C@H](CNC(=O)Nc1cnn(C(C)(C)C)c1)c1cnn(C)c1 89761599 WULKBGTZEVNDLL-CQSZACIVSA-N 333.440 1.796 0 40 EDAB Cc1ccc(O[C@@H](C)CNC(=O)N2CCS(=O)(=O)C[C@@H]2C)cc1 75307922 BENNZBNFMDDAHO-KBPBESRZSA-N 340.445 1.591 0 40 EDAB C[C@H](NC(=O)c1ccnc(N(C)C)c1)c1nnc2n1CCCCC2 89913891 ZFGSTEIXCXSZBW-LBPRGKRZSA-N 328.420 1.957 0 40 EDAB C[C@@H]1CN(C)CCN1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 89938995 LEBXGSAPPFLGKC-SJORKVTESA-N 330.476 1.265 0 40 EDAB CCN1CCCC[C@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 75583822 SBVMEIUFFVFRSP-INIZCTEOSA-N 330.432 1.436 0 40 EDAB COc1ccc(CC2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 75572991 ONDXKMUZZPXFGR-DLBZAZTESA-N 339.457 1.108 0 40 EDAB C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 22539820 LINDEKMMSGHRMS-LLVKDONJSA-N 328.409 1.675 0 40 EDAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cnccn1 24926135 IOXQGEVYIOVMBL-UHFFFAOYSA-N 348.384 1.178 0 40 EDAB O=C(Nc1cnc2n1CCCC2)c1cccnc1N1CCOCC1 67983092 BACGUVOYIOZQKQ-UHFFFAOYSA-N 327.388 1.703 0 40 EDAB C[C@H](NC(=O)N1CC(C(C)(C)O)C1)c1cn(-c2ccccc2)nn1 548035835 YFVWAGHZRBDWDI-LBPRGKRZSA-N 329.404 1.741 0 40 EDAB Cc1cccc(OCCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 32816290 JVPOWUIMLAXQFE-GFCCVEGCSA-N 344.333 1.901 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC(C)(C)C 72233752 UCDILZVSBMKGTE-GHMZBOCLSA-N 329.393 1.984 0 40 EDAB COc1ccc(NC(=O)[C@@H](NC(N)=O)C(C)C)cc1OC(F)F 30926609 RXMYLPFHTHZDTQ-NSHDSACASA-N 331.319 1.928 0 40 EDAB Cn1cc(CCNC(=O)N2Cc3ncccc3N3CCC[C@H]3C2)cn1 1553185816 VVKIZEMJTLPKTR-HNNXBMFYSA-N 340.431 1.552 0 40 EDAB Cc1cc(C)n(-c2ccc(CC(=O)N3CCCNC(=O)[C@@H]3C)cc2)n1 530364139 YXDXLHIJAORNPZ-HNNXBMFYSA-N 340.427 1.769 0 40 EDAB COC(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21 72335747 NQTNFCSSRFQKDQ-UHFFFAOYSA-N 339.355 1.438 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCc2nc(C)cn2C1 72278932 AAYAQUMGZIKZIF-ZDUSSCGKSA-N 347.440 1.730 0 40 EDAB CC(=O)Nc1nc(C2CCN(C(=O)c3ccn(C)n3)CC2)cs1 72368513 KANWGKUOQZIXEO-UHFFFAOYSA-N 333.417 1.855 0 40 EDAB Cc1nc([C@@H]2CCN2C(=O)c2cccnc2)cc(N2CCOCC2)n1 72387533 AHKYUDRDBRFYPQ-INIZCTEOSA-N 339.399 1.604 0 40 EDAB N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 30769039 QVOWRQXALDMGET-BBWFWOEESA-N 337.423 1.364 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@H](Oc2ccncc2)C1 120473720 UEHWMEHEAPNPBJ-CQSZACIVSA-N 339.351 1.669 0 40 EDAB Cc1nn(C(F)F)cc1S(=O)(=O)N(C)Cc1c(C)nn(C)c1C 36615324 HXNMYRBWKBIEAF-UHFFFAOYSA-N 347.391 1.758 0 40 EDAB O=C(CCCn1cnc2ccccc2c1=O)NCCc1ccccn1 32153791 QTIACKLIUNUGGY-UHFFFAOYSA-N 336.395 1.931 0 40 EDAB biogenic CN1CCN(C(=O)[C@@H]2CCCN(c3ncc(Cl)cc3F)C2)CC1 79298902 ZIOWUTVBJYDFSL-GFCCVEGCSA-N 340.830 1.865 0 40 EDAB NC(=O)c1cccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)c1 72238930 KXKLSANFMMGFFR-UHFFFAOYSA-N 343.368 1.167 0 40 EDAB O=C(O)c1ccc(NCCO)c(S(=O)(=O)Nc2ccccc2)c1 217504137 XRWJFUFIQOXPAD-UHFFFAOYSA-N 336.369 1.590 0 40 EDAB CCN1C[C@H](CN(C)S(=O)(=O)N(C)C(C)C)Oc2ccccc21 40105616 RDOQBZOSNRGKSJ-AWEZNQCLSA-N 341.477 1.791 0 40 EDAB Cc1onc(N)c1S(=O)(=O)N1CCCc2cc(C(=O)O)ccc21 568507421 XJPUIWUQIZLXAR-UHFFFAOYSA-N 337.357 1.405 0 40 EDAB C[C@@]1(C(=O)NCCCN2CCOCC2)CC(c2cccs2)=NO1 226749812 NQJUQUZDHMWYRB-INIZCTEOSA-N 337.445 1.470 0 40 EDAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)N1CCOCC1)C2 225487433 NGWARHQOVNCFTM-HNNXBMFYSA-N 345.399 1.978 0 40 EDAB biogenic,in-vitro NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(Br)co1 569936381 RQYPIXLLELGZBE-HDBBIHSSSA-N 327.178 1.768 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl 83605263 OZRADNSSKNJKIA-QMMMGPOBSA-N 339.244 1.590 0 40 EDAB CCc1c[nH]ccc1=NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C 574746468 ICBRQMDEBYUANS-GUYCJALGSA-N 341.415 1.266 0 40 EDAB C[C@@H]1CN(S(=O)(=O)NC[Si](C)(C)c2ccccc2)C[C@@H](C)O1 195567543 LOHQDUXRRWVLSW-ZIAGYGMSSA-N 342.537 1.085 0 40 EDAB CC(C)OC(=O)[C@]1(C)CC(c2cnc(N3CCOCC3)nc2)=NO1 226084958 OBSUKNDQHNNAJB-INIZCTEOSA-N 334.376 1.148 0 40 EDAB C[C@@H](C(N)=O)N1CCN(C(=O)[C@H](C)CCc2ccccc2F)CC1 80294907 SVXPMNUEHOOELO-KGLIPLIRSA-N 335.423 1.412 0 40 EDAB COCC(=O)N1CCC2(CC1)C[C@H](Nc1cccc(OC)c1)CO2 96221531 FSHOASSWILEBHK-HNNXBMFYSA-N 334.416 1.904 0 40 EDAB COCCn1nnc2ccc(NC(=O)c3ccncc3)cc2c1=O 96231751 LYPQDRFPEMCZMA-UHFFFAOYSA-N 325.328 1.085 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](C)n2ccc(-c3ccc(F)cc3)n2)CC1 96455270 WIEASLQDAFZLBL-CYBMUJFWSA-N 344.390 1.941 0 40 EDAB O=C(C[C@@H]1OC[C@H]2CN(C3CCC3)CC[C@@H]12)NCc1cccnc1 96206509 VEBVLWFEWIUXOV-NXHRZFHOSA-N 329.444 1.977 0 40 EDAB COc1cccc(CCCN2CCC(N(C)S(C)(=O)=O)CC2)c1 96424161 XMGBMAOFQGMQAP-UHFFFAOYSA-N 340.489 1.984 0 40 EDAB O=C(NCC1CC1)[C@H]1CN(C(=O)c2ccccn2)CC12CCOCC2 96052159 DMKXVDSEDZXHBU-OAHLLOKOSA-N 343.427 1.477 0 40 EDAB CCOC[C@@H]1C[C@]2(COCCN2C(=O)Cc2cccc(OC)c2)CO1 96240723 MJASADOLJKLQGA-HKUYNNGSSA-N 349.427 1.661 0 40 EDAB O=C(c1cnccn1)N1Cc2nccn2C[C@H](COCC2CC2)C1 96187902 CUHYZNXFDGAELK-AWEZNQCLSA-N 327.388 1.372 0 40 EDAB Cc1noc(C)c1CN1C[C@@]2(CCN(c3nncs3)C2)CC1=O 96239389 IKKYRDSBALYDRJ-HNNXBMFYSA-N 333.417 1.772 0 40 EDAB CCCn1nnnc1CN(Cc1nccs1)[C@@H]1CC12CCNCC2 583615140 KHZMBUUBGRGROS-CYBMUJFWSA-N 347.492 1.684 0 40 EDAB Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2c(C)noc2C)no1 583623101 MPSMDWVUBZYFGA-STQMWFEESA-N 336.367 1.930 0 40 EDAB O=C1COC2(CCN(c3ncccn3)CC2)CN1c1cccnc1 96159131 FCVMQAWDTRFGCI-UHFFFAOYSA-N 325.372 1.274 0 40 EDAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)Cn2ccnc2)C1 96420658 LRQQRDDUWQXLNP-LSDHHAIUSA-N 335.452 1.465 0 40 EDAB O=C1CCC[C@]2(CCCN(c3ncccn3)C2)N1CCN1CCCC1 96230008 WFJLBJHBEJRDOR-LJQANCHMSA-N 343.475 1.924 0 40 EDAB COCCC(=O)N1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 96202188 FZTABOIGWOPOTB-QGZVFWFLSA-N 338.473 1.836 0 40 EDAB CN1Cc2c(C(=O)N3CCCC3)ncn2-c2ccccc2S1(=O)=O 96147329 IKVHLTZISHIZTG-UHFFFAOYSA-N 346.412 1.242 0 40 EDAB Cc1cccc(CN2C[C@@H]3CN(C(=O)[C@H]4CCOC4)C[C@@H]3C2=O)c1 96245291 WGBLEPVCIXZQDQ-BBWFWOEESA-N 328.412 1.448 0 40 EDAB CN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)N(C)C)C2)C1 96220175 GYZLOHWPEYZQFF-CRAIPNDOSA-N 332.448 1.534 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccco1)C2 96039528 LTYGDNFTKVJDMB-AEFFLSMTSA-N 336.432 1.869 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1cccnc1 96057990 CKLUJGQSTXGFRW-GVDBMIGSSA-N 340.383 1.460 0 40 EDAB O=C1NC2(CCN(C(=O)c3ccnnc3)CC2)C[C@@H]1c1ccncc1 96199560 DAEOGUPLGWFHSH-OAHLLOKOSA-N 337.383 1.150 0 40 EDAB Cc1oncc1C(=O)NC[C@]12COC[C@H]1CN(Cc1ccccc1)C2 96108486 LAQJEVPVWITPET-APWZRJJASA-N 341.411 1.861 0 40 EDAB CCO[C@H]1C[C@@H](N(C)C(=O)Cn2nc(C)ccc2=O)C12CCCC2 96419206 GLCJFRHGPURYNY-CABCVRRESA-N 333.432 1.748 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCn2c(Cn3cccn3)cnc2C1 96201116 ACXCONXODRJXKZ-UHFFFAOYSA-N 339.374 1.852 0 40 EDAB CCc1cnc(CNC(=O)NC[C@@H](C)N2CCOC[C@H]2C)s1 245289761 DZIWFYWDSUGFNV-VXGBXAGGSA-N 326.466 1.614 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)[C@@H](C)c1c(C)nn(C)c1C 245339014 PYKBFQANJIRVOT-SUMAQBCMSA-N 333.432 1.844 0 40 EDAB COC[C@@H]1CN(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2F)CCO1 245339040 QDVPJOTVDOJNIF-WHOFXGATSA-N 326.343 1.878 0 40 EDAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1-c1ccncc1 340547964 REBFEWWGAIKSIW-UHFFFAOYSA-N 346.460 1.226 0 40 EDAB NS(=O)(=O)c1cc(NS(=O)(=O)C2=CCCCC2)ccc1F 585136672 PDHWKSMQVQTEAJ-UHFFFAOYSA-N 334.394 1.673 0 40 EDAB O=C1CCC[C@]2(CN(CC(=O)N3CCCC3)C[C@H]2c2ccccc2)N1 257282370 OTMQYNVHRBSVHR-FXAWDEMLSA-N 341.455 1.747 0 40 EDAB CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 585123834 DNUKGACTDPLVGS-ABAIWWIYSA-N 331.434 1.144 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)NCc1ccccn1 42879616 XJLFAXGLJBFNNE-NSHDSACASA-N 330.310 1.434 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)c2c(O)n[nH]c2C[C@]1(C)O 252586025 NAIPXCJKLWSVPB-YEWWUXTCSA-N 346.383 1.828 0 40 EDAB Cc1c(C(=O)NC2CCN(CC(N)=O)CC2)oc2ccc(F)cc12 43121772 PTPAWQFVAMSXTG-UHFFFAOYSA-N 333.363 1.560 0 40 EDAB CCOc1ccc(CN2CCO[C@](C)(C(=O)N(C)C)C2)cc1CO 257236542 HCPZAURBCKNQSO-SFHVURJKSA-N 336.432 1.257 0 40 EDAB NC(=O)c1cnn2c([C@@H]3CCCN(Cc4ccccn4)C3)ccnc12 257289259 PXUUHUOVLKQVMX-CYBMUJFWSA-N 336.399 1.603 0 40 EDAB CN(C(=O)Cc1ccc(F)c(F)c1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257303718 SIKVLZWAYCGSPT-JFIYKMOQSA-N 338.398 1.953 0 40 EDAB Cc1cccc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)n1 257314659 UXYKRBYGWDPEAW-INIZCTEOSA-N 339.386 1.698 0 40 EDAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(C3CCCCC3)C2=O)C1 250661707 FSAZJGLRHHTZQE-ZFWWWQNUSA-N 336.432 1.722 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cccnc3)CCN2C)c1 257248484 JDVWMCSYCZALSC-KRWDZBQOSA-N 338.411 1.570 0 40 EDAB O=C(NC[C@]1(O)CCN(c2ncccn2)C1)C1CCC(F)(F)CC1 257337223 YRXWKIYPEGXUQC-OAHLLOKOSA-N 340.374 1.360 0 40 EDAB CC(=O)N1[C@@H](CNC(=O)c2ccccn2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257336676 YPNLISZBULZMIM-VYCZESIESA-N 345.443 1.742 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCN(C)[C@H](c3ccccc3)C2)c1C 257256144 KKGIEFTWRBPOPO-INIZCTEOSA-N 348.472 1.889 0 40 EDAB CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)c1cscn1 257219997 DJDNEBIZQOUFKG-OAHLLOKOSA-N 333.417 1.037 0 40 EDAB COCC(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(C)=O)CC1 257301354 RYDANPDJSWXPBN-UMVBOHGHSA-N 339.461 1.889 0 40 EDAB C[C@@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1nncn1C 43080507 SZGPGUVWBXAXSE-LLVKDONJSA-N 331.376 1.189 0 40 EDAB CCCC(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)O)[C@@H]2CCCOC2)C1 262753445 JOGDJIYQKZKIOE-GUTXKFCHSA-N 340.420 1.021 0 40 EDAB CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1cccnc1C(F)(F)F 287465837 JECYCWFTOOBDHE-QMMMGPOBSA-N 340.323 1.974 0 40 EDAB C[C@H]1CN(C(=O)N[C@@H](c2cnn(C)c2)C2(CO)CCC2)C[C@@H](C)O1 1616033687 BLEWOOFCLDZJSD-GUTXKFCHSA-N 336.436 1.443 0 40 EDAB O[C@@H](CNc1cc(N2CCOCC2)ncn1)COc1ccccc1 605433542 XEQDFOAUFXWPKV-AWEZNQCLSA-N 330.388 1.165 0 40 EDAB O=C(C[C@H]1CO[C@@H]2CN(C(=O)C3(F)CCC3)C[C@@H]21)N1CCCCO1 585108413 HYMUZMGZGRSMHU-BFHYXJOUSA-N 340.395 1.296 0 40 EDAB Cn1cnc2c1C[C@H](COc1ncccn1)N(Cc1ccco1)C2 585094851 QDUPDECUBBRQFB-CYBMUJFWSA-N 325.372 1.809 0 40 EDAB Cc1ccc(CN2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)cc1 585112464 RAUZMXHAUHVWBJ-QGZVFWFLSA-N 348.472 1.688 0 40 EDAB FC1(F)CCN(C[C@H]2CCn3nccc3CN2Cc2cn[nH]c2)C1 585096703 ASMQPZYGJFHRMP-CQSZACIVSA-N 336.390 1.722 0 40 EDAB Cc1occc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCOCC1 585097190 ILVGJPDIDIEKDM-HNNXBMFYSA-N 344.415 1.531 0 40 EDAB O=C1CCCN1CCC(=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 585280428 IUDNTVIINDPWIU-IAGOWNOFSA-N 330.428 1.451 0 40 EDAB C[C@@]1(C(N)=O)CCCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C1 585289331 PZIGTTDOGXQKJD-DODZYUBVSA-N 332.444 1.935 0 40 EDAB CSc1ccc(CNCc2ccc(C(=O)NCC(N)=O)cc2)cc1 47799153 DDJSCHFWRPRSJQ-UHFFFAOYSA-N 343.452 1.913 0 40 EDAB O=C(NCCOc1cccc(Cl)c1)NC[C@H]1CCS(=O)(=O)C1 48342011 WZBVRPAWUNHGKD-LLVKDONJSA-N 346.836 1.453 0 40 EDAB CONC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 53496443 CWAWSRUJDIIDEZ-LURJTMIESA-N 327.134 1.111 0 40 EDAB O=C(NCc1nncn1-c1ccccc1)c1ccnc(-n2cncn2)c1 53807815 UPGCLTBIUMDANX-UHFFFAOYSA-N 346.354 1.173 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)C1 56489526 RWQMSKSBIVPSSU-CJNGLKHVSA-N 345.399 1.426 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 69283710 JKIPGNDBJJUYOD-OCCSQVGLSA-N 343.435 1.548 0 40 EDAB OCCN1CCC(CNCc2cnn(-c3ccc(F)cc3)c2)CC1 69436412 GXQWGKXTXLUHGP-UHFFFAOYSA-N 332.423 1.805 0 40 EDAB O=C(NCCC(=O)N1CCCC1)C(=O)Nc1cc(F)ccc1Cl 69488305 XSESVRPSWSTZTG-UHFFFAOYSA-N 341.770 1.546 0 40 EDAB CCc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)o1 69652874 NEXGXBRSYQRTBC-KGLIPLIRSA-N 340.445 1.223 0 40 EDAB CC(C)Cc1cc(C(=O)N2CCCN(Cc3nccn3C)CC2)[nH]n1 69946745 LNWSHEMBZPDTFT-UHFFFAOYSA-N 344.463 1.690 0 40 EDAB COc1ccc2oc(C)c(C(=O)N3CCN(C[C@H](C)O)CC3)c2c1 69980773 QIIHHMMSNHOCDO-LBPRGKRZSA-N 332.400 1.888 0 40 EDAB CC(C)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)C(N)=O 69900376 BYRDSULPPXSKDX-DGCLKSJQSA-N 337.445 1.226 0 40 EDAB CCN([C@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)N1CCCC1 70019200 IJRYKYCJAGRSBD-HNNXBMFYSA-N 337.445 1.454 0 40 EDAB O=C1C[C@H](NC(=O)C2(c3ccccc3)CCOCC2)CN1C1CC1 75161448 LCUGNQCVKKPUSU-HNNXBMFYSA-N 328.412 1.614 0 40 EDAB NC(=O)[C@@H]1CCC[C@H]1NC(=O)COc1cccc(C(F)(F)F)c1 78879304 PTPGQWIHIVURSC-VXGBXAGGSA-N 330.306 1.854 0 40 EDAB COCCN1CCC(NC(=O)c2cnn(-c3ccccc3)n2)CC1 85467876 LRHVMZTWJNEYIK-UHFFFAOYSA-N 329.404 1.108 0 40 EDAB CCCCS(=O)(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 85472088 MWOAWADAESGAHF-UHFFFAOYSA-N 349.460 1.519 0 40 EDAB CCc1ccc([C@H](COC)NS(=O)(=O)CC(=O)OC(C)C)o1 585115618 KOMPBTRKOWESHE-LBPRGKRZSA-N 333.406 1.401 0 40 EDAB FC(F)(F)c1ccc(Cn2nnnc2N2CCCOCC2)cc1 1616034130 XTNHPZIFEOOYCL-UHFFFAOYSA-N 327.310 1.967 0 40 EDAB CC(C)CNC(=O)CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107590043 LZIANJGBKPCCPD-MSOLQXFVSA-N 331.460 1.344 0 40 EDAB COc1ccc(C(=O)NCCOC(=O)c2cccnc2)cc1OC 5527282 BGSAAYSLDLFVGV-UHFFFAOYSA-N 330.340 1.686 0 40 EDAB O=C1CC[C@@H](Cc2ccc(I)cc2)C(=O)N1 5766402 OIIOMGUXUXNDTH-VIFPVBQESA-N 329.137 1.887 0 40 EDAB CCOCCCNC(=O)Cn1nc(C)n2c(cc3sccc32)c1=O 12115237 ZUGVZSMTIYUTSM-UHFFFAOYSA-N 348.428 1.562 0 40 EDAB CCn1ncc(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)c1C 12115837 VGTDGHPZXVTPHV-UHFFFAOYSA-N 325.376 1.364 0 40 EDAB C[C@H]1Oc2ccc(S(=O)(=O)NCc3ccccn3)cc2NC1=O 12118250 LOHAEOOZVSVVIP-SNVBAGLBSA-N 333.369 1.280 0 40 EDAB Nc1cc(-c2ccco2)nn(CC(=O)NCC2CCCCC2)c1=O 12146624 MYJHRIOSPUVKIH-UHFFFAOYSA-N 330.388 1.782 0 40 EDAB O=C(COCc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)O 13470809 MJQRXIJMUFIOOQ-INIZCTEOSA-N 329.352 1.721 0 40 EDAB COC[C@@H](C)NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 13608639 YHARGUSHGMPAAO-ZIAGYGMSSA-N 342.461 1.609 0 40 EDAB Cc1cc(=O)[nH]c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)n1 13638238 JHGNYVAKPMYQKJ-UHFFFAOYSA-N 331.353 1.384 0 40 EDAB COc1ccccc1C[C@@H]1[C@@H](O)c2ccccc2S(=O)(=O)N1C 13681523 GGAZERUPDAAWJX-PBHICJAKSA-N 333.409 1.974 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)[C@H]2Cc3ccccc3S2)cc1 14267598 HIEVUFPLOPDIPF-OAHLLOKOSA-N 348.449 1.667 0 40 EDAB CCn1cc(S(=O)(=O)N2CCC[C@]3(CC=CNC3=O)C2)c(C)n1 19524650 JTKYEEIKRZQSME-OAHLLOKOSA-N 338.433 1.016 0 40 EDAB Cc1c(-c2cc(C(=O)N3CCCC[C@H]3CN(C)C)no2)cnn1C 19554054 QZIHDYZXZNKYCP-ZDUSSCGKSA-N 331.420 1.940 0 40 EDAB Cc1nn(CCNC(=O)c2ccnc(N3CCOCC3)c2)c(C)c1C 19557267 ADSWWEXXEACDFD-UHFFFAOYSA-N 343.431 1.470 0 40 EDAB CCN(CC)c1ncc(CN2CCO[C@](C)(C(=O)N(C)C)C2)s1 19746907 HWCFRINJIBOCIR-INIZCTEOSA-N 340.493 1.668 0 40 EDAB Cc1ccn2cc(C(=O)N[C@H]3CCO[C@@H]3c3nccn3C)nc2c1 583620041 LVUWEDQFHAGAHF-WFASDCNBSA-N 325.372 1.636 0 40 EDAB Cc1nsc(N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)n1 1888897013 CQJVNISZMQCTEJ-PHIMTYICSA-N 342.432 1.096 0 40 EDAB CS(=O)(=O)c1cccc2sc(N3CCC[C@@H](CO)C3)nc12 1889096850 UDKGAUPBWNDNSQ-SNVBAGLBSA-N 326.443 1.909 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1C 25997700 ABHSVIXJNCMLJN-GFCCVEGCSA-N 335.404 1.501 0 40 EDAB COCCN1CC[C@]2(CCCN(C(=O)C3CC(F)(F)C3)CC2)C1=O 1614946721 BMYSHNWQDJXYPV-MRXNPFEDSA-N 344.402 1.909 0 40 EDAB Cc1cnnn1Cc1ncn2c1CN(C(=O)C1CC(C)C1)CCC2 1565549262 OSVZVEUNHPYWJV-UHFFFAOYSA-N 328.420 1.610 0 40 EDAB Cc1cccc(NC(=O)Cn2ccn(-c3ccccc3)c(=O)c2=O)c1 4313315 LRYFUIYWNCFAKL-UHFFFAOYSA-N 335.363 1.946 0 40 EDAB O=C(Cc1ccccc1)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251278 LWLILFQIRNILHC-UHFFFAOYSA-N 345.362 1.895 0 40 EDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(OC(F)(F)F)cc1 10326983 NKNMGISCUUWJIZ-LLVKDONJSA-N 332.278 1.819 0 40 EDAB Cn1cc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(Oc2cccnc2)C3)cn1 390828225 AJTCYYBJBNLWCA-STQMWFEESA-N 348.428 1.578 0 40 EDAB COc1ccnc(N2CCC(Oc3ccn4nccc4n3)CC2)n1 2298074380 QXWGSTTVSPXQBD-UHFFFAOYSA-N 326.360 1.576 0 40 EDAB Cc1cc(Br)ccc1NC(=O)c1c[nH]c(=O)n(C)c1=O 75172478 QZIVECPFUNCNHV-UHFFFAOYSA-N 338.161 1.397 0 40 EDAB CCC[C@H](O)Cc1oc(=O)cc(OC)c1CSC[C@H](O)C(=O)O 2332242367 KFVNFLYPJPYCBL-ONGXEEELSA-N 346.401 1.031 0 40 EDAB C[C@@H](NC(=O)c1nccnc1N)c1ccc(NC(=O)C2CC2)cc1 31399708 HREFYPXOAAGTEJ-SNVBAGLBSA-N 325.372 1.898 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)NCc1ccnc(N2CCOCC2)c1 40525066 VSKYCJNUFXBFNN-NSHDSACASA-N 347.337 1.502 0 40 EDAB Cn1ncc(C(=O)NCCN2CCCCCC2=O)c1-n1cccc1 32309851 QMLLCYUIMPKWCX-UHFFFAOYSA-N 329.404 1.343 0 40 EDAB O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1cccc(Cl)c1Cl 115580 GUHIZFSBRQBKCC-UHFFFAOYSA-N 347.183 1.496 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1cnn(C)c1)c1cccc(F)c1 46033776 AYZYZGHTMNMJPD-CQSZACIVSA-N 326.397 1.140 0 40 EDAB COc1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)cn1 69652556 XLUNHDUBWURSIB-UHFFFAOYSA-N 329.404 1.172 0 40 EDAB Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)N1C[C@H](C)O[C@H](C)C1 29505084 MFVAYYMIGZYGIZ-GGTJGZGTSA-N 345.378 1.755 0 40 EDAB CC(C)c1ccc(-c2nc(C(=O)NC(C(N)=O)C(N)=O)cs2)cc1 29611796 SYGGUXDUDRKRQU-UHFFFAOYSA-N 346.412 1.003 0 40 EDAB O[C@@H](CN1CCN(c2nc3ccccc3o2)CC1)Cn1cccn1 69737591 AOZGBMFRVXHFGO-AWEZNQCLSA-N 327.388 1.207 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C 32736769 GWOMWVDAZVQUMA-DZGCQCFKSA-N 333.432 1.390 0 40 EDAB CCOC(=O)CCN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=S 1644357 MNWISZQHHYEREN-UHFFFAOYSA-N 336.369 1.109 0 40 EDAB COc1ccc(CCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 32771005 XWQGSWVDULQHPR-UHFFFAOYSA-N 340.445 1.168 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)C1 41130095 LYALUYAPSNMUMX-SNVBAGLBSA-N 337.217 1.815 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(Cn3cccc3)cc2)CC1 69874976 RGQOMLDBQLYHOP-MRXNPFEDSA-N 327.428 1.675 0 40 EDAB Cc1ccc(-c2ccc(=O)n(CC3(O)C[C@@H]4CC[C@@H](C3)N4)n2)cc1 100736827 XHRYOEMJAMKVKW-HOTGVXAUSA-N 325.412 1.864 0 40 EDAB CC(C)(O)CN1CCN(C(=O)Cc2csc(-c3ccco3)n2)CC1 69809596 WXAUCQMRCDIOHT-UHFFFAOYSA-N 349.456 1.861 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN1CCC(=O)Nc1cccc(Cl)c1 69841829 XYVBVPULJYCJHD-CYBMUJFWSA-N 345.852 1.422 0 40 EDAB CC(=O)N1CCN(C(=O)Cc2ccc(-n3nc(C)cc3C)cc2)CC1 46728065 NQKAJLSBJWLICQ-UHFFFAOYSA-N 340.427 1.722 0 40 EDAB O=C(CCn1cncn1)NCc1ccc(OC[C@@H]2CCCO2)cc1 46852070 WSLHEZRZAYTUEM-INIZCTEOSA-N 330.388 1.542 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCCOc2ccc(C(F)(F)F)cc2)C1 46942144 WYQMIDMOSFVMKB-SNVBAGLBSA-N 345.321 1.601 0 40 EDAB COC(=O)C1=C(C)NC(=O)[C@H]1CC(=O)N(C)Cc1ccccc1OC 103301425 ZNSZEXRCXZZNTP-ZDUSSCGKSA-N 346.383 1.237 0 40 EDAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N1CCOC[C@H]1C 47449707 DQCBHPCIUJPNIC-CYBMUJFWSA-N 341.411 1.925 0 40 EDAB C[C@H]1CN(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C[C@@H](C)O1 109024917 HJLLRWIZYNEJAF-XHSDSOJGSA-N 345.443 1.265 0 40 EDAB COc1cc(CNC2CCN(C(=O)C3CC3)CC2)cc2c1OCO2 42209458 IBXUBUGDSHSNKZ-UHFFFAOYSA-N 332.400 1.915 0 40 EDAB CCCc1nc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)no1 9974816 BYBFUFHTWSFCMK-UHFFFAOYSA-N 335.360 1.978 0 40 EDAB CCN1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 22942232 PHBYLAQDTDMYPO-UHFFFAOYSA-N 332.404 1.891 0 40 EDAB NC(=O)c1cnc(N2CCN(Cc3ccncc3)CC2)c(Cl)c1 54043453 SCELNFXMAMLWPE-UHFFFAOYSA-N 331.807 1.551 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 42367379 ICHLBNXCFUIKOW-OLZOCXBDSA-N 330.363 1.580 0 40 EDAB CC(C)Cn1cc(NC(=O)N2CCN(c3cnccn3)CC2)cn1 76082477 ZBFDSAPQBZFSST-UHFFFAOYSA-N 329.408 1.683 0 40 EDAB COc1ccccc1N1CCN(S(=O)(=O)N2CCCCC2)CC1 42665556 GVIDOFNNJQGQKV-UHFFFAOYSA-N 339.461 1.548 0 40 EDAB Cc1noc(C2CCN(CC(=O)NC(=O)Nc3ccccc3)CC2)n1 54678211 FBOXVNFQDSNIAY-UHFFFAOYSA-N 343.387 1.906 0 40 EDAB C[C@H](CNC(=O)N[C@@H]1CC(C)(C)OC1(C)C)CN1CCN(C)CC1 97048262 HVCWFBLVAOKYEI-HUUCEWRRSA-N 340.512 1.515 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCN(Cc2cccs2)CC1 55129578 YRYQBWMTNIRTHE-UHFFFAOYSA-N 330.475 1.217 0 40 EDAB CSc1nnc(CNS(=O)(=O)c2ccc(Cl)cc2)n1C 1388266 QSARFFSXRKVHSO-UHFFFAOYSA-N 332.838 1.669 0 40 EDAB Cc1noc(CN2CCN(C(=O)NCc3sccc3C)CC2)n1 72291911 OOVJIIRZJWLXRJ-UHFFFAOYSA-N 335.433 1.775 0 40 EDAB Cc1ccc(CN(C)C(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)o1 72284222 SDWVMIFKDIPBAC-TZMCWYRMSA-N 338.404 1.917 0 40 EDAB O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCc2ccccc2C1 24936347 YALSENXNOALHPK-MRXNPFEDSA-N 336.391 1.702 0 40 EDAB CCCCc1nc(CN2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)no1 76055669 UGDSFINEKORSTN-GOEBONIOSA-N 349.479 1.397 0 40 EDAB CC[C@@H]1CN([C@H](C)C(=O)N2CCCCCC2)CCN1C[C@H](C)O 106906739 NBJXCLMZRGOBQS-GVDBMIGSSA-N 325.497 1.555 0 40 EDAB Cc1cc(-c2nn(C)c(Cl)c2CN2CCOC[C@H](O)C2)no1 77298810 NLUCWFISLFKVDT-SNVBAGLBSA-N 326.784 1.230 0 40 EDAB O=C(NCCCCN1CCOCC1)N[C@@H]1CCOc2ccccc21 47866678 VFLJVGDSAUOQSJ-MRXNPFEDSA-N 333.432 1.922 0 40 EDAB CCN(C(=O)NCCc1ccc(C)nc1)[C@@H](C)CS(C)(=O)=O 72281528 XKRBITNLXFXMPH-ZDUSSCGKSA-N 327.450 1.397 0 40 EDAB COC(=O)CNC(=O)CSc1ncnc2sc(C)c(C)c12 3245947 UOHGVQGADHMQET-UHFFFAOYSA-N 325.415 1.689 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3cccn3)o2)cc1 27981261 LGVWCNJYTSWLOK-UHFFFAOYSA-N 346.368 1.424 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccccc1F)CC2 72288373 BKGBXZMEVPDICL-UHFFFAOYSA-N 334.372 1.605 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)Cc1cc(Cl)c2c(c1)OCCO2 12615419 MGJGCZGIGPNKTF-UHFFFAOYSA-N 340.807 1.685 0 40 EDAB NC(=O)CSCC(=O)NC1(c2cccc(Br)c2)CC1 72293673 WRNHJQCBDRWECK-UHFFFAOYSA-N 343.246 1.773 0 40 EDAB CC1(C)[C@@H]2CC=C(CN3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)O)[C@@H]5C3=O)[C@@H]1C2 100781666 KFWIQRFOCDYDRG-AEKDSCCUSA-N 329.396 1.845 0 40 EDAB CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 113948429 SSQUNOGJBPLHCQ-UHFFFAOYSA-N 331.825 1.099 0 40 EDAB O=C(O)c1sccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 37837531 LXYYSPLEFUPXFJ-UWVGGRQHSA-N 331.415 1.778 0 40 EDAB COc1ccc2[nH]cc(C(=O)Nc3ccccc3C(N)=O)c(=O)c2c1 44893990 LWNLHHGJSZKYJR-UHFFFAOYSA-N 337.335 1.888 0 40 EDAB COc1cc(OC)c2c(C)c(CC(=O)NCCC(=O)O)c(=O)oc2c1 2113407 OFVDBUYETRCEEN-UHFFFAOYSA-N 349.339 1.252 0 40 EDAB biogenic CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2cccnc2)cc1 44951417 AYCAGACFNARZEL-LBPRGKRZSA-N 348.428 1.550 0 40 EDAB CC[C@@H]1CN(C(=O)NCc2ccccc2Cn2cncn2)CCO1 44968687 GENWETOUQKHQLC-MRXNPFEDSA-N 329.404 1.647 0 40 EDAB COc1cccc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1 58328405 IKJVNEZHGXUEGS-KRWDZBQOSA-N 328.324 1.938 0 40 EDAB Cc1csc(NC(=O)CN2CCC(c3ccnn3CCO)CC2)n1 58355151 RTISSXCBOMBQSO-UHFFFAOYSA-N 349.460 1.458 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)NC1CCNCC1 36286030 NSZNWDGDIZUDFH-UHFFFAOYSA-N 333.251 1.788 0 40 EDAB COc1ccc2c(CN(C)[C@@H]3CCS(=O)(=O)C3)cc(=O)oc2c1 20679313 ZPDARZOUBIVBCZ-GFCCVEGCSA-N 337.397 1.421 0 40 EDAB C[C@@H]1CN(C(=O)CN(C)Cc2cc(F)cc3c2OCOC3)CCO1 36392082 OUZMXKLJSPGJJO-GFCCVEGCSA-N 338.379 1.371 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)Nc1ncccc1O 48314482 LBYNVPLYOWDPRQ-UHFFFAOYSA-N 337.339 1.422 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)c1ccc(N2CCCC2=O)cc1 12922579 NCKYLWXJIDQWPO-UHFFFAOYSA-N 339.399 1.623 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nncs2)cc1C 12928479 RMLJMQBBMYUINN-UHFFFAOYSA-N 340.430 1.414 0 40 EDAB CO[C@H](C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 49114620 KDZBIJUIJANVJV-SNVBAGLBSA-N 328.210 1.528 0 40 EDAB CCCN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C1CCCCC1 63668012 ZJVVXQWFSVYDMA-ZHACJKMWSA-N 333.432 1.669 0 40 EDAB Cc1ccc(CN(C)C(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)o1 8744867 DCHDHWPJWIHJRY-YUELXQCFSA-N 330.384 1.886 0 40 EDAB COc1cc(NC(=O)[C@@H](C)Sc2nc(N)cc(N)n2)cc(OC)c1 8720459 ANUXIDHZZQEJKH-MRVPVSSYSA-N 349.416 1.778 0 40 EDAB COc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1 5000055 PSUAOAGWMQEPBV-UHFFFAOYSA-N 339.351 1.348 0 40 EDAB C[C@H](C(=O)NC(=O)NC1CCCC1)N1CCC(c2nc[nH]n2)CC1 83424265 NHKJFKDNSGTNSX-LLVKDONJSA-N 334.424 1.141 0 40 EDAB Cc1ccc(OCC(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)c(C)c1 4302859 MGZWGTPDEXBMSN-MRXNPFEDSA-N 325.430 1.718 0 40 EDAB Nc1nc(CCNc2ncnc3c2CCN(C(=O)C2CC2)C3)cs1 71615250 VDOKHLMHONUPLA-UHFFFAOYSA-N 344.444 1.465 0 40 EDAB Cc1ccccc1-c1cc(C(=O)NCCN2C(=O)CSC2=O)[nH]n1 65415527 WIRYCVKJYGNCMV-UHFFFAOYSA-N 344.396 1.810 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccncc2)CC1 65564402 WVGPMIYAPNQJML-HNNXBMFYSA-N 328.420 1.194 0 40 EDAB NC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 19078913 VPEHQBXKGPMAKC-GFCCVEGCSA-N 348.409 1.196 0 40 EDAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)c1 14108660 NWFIBKBCKQGAIT-UHFFFAOYSA-N 337.401 1.859 0 40 EDAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(S(C)(=O)=O)CC1 14119985 CZJSXAMVZDKBAE-LLVKDONJSA-N 345.852 1.244 0 40 EDAB O=C(NCc1nnc2ccccn12)[C@@H]1CC(=O)N(Cc2ccccc2)C1 14170803 ILLDBEJPJNSUIW-OAHLLOKOSA-N 349.394 1.394 0 40 EDAB Nn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccco1 4538694 SVDHGFSUCNVVPG-UHFFFAOYSA-N 343.412 1.703 0 40 EDAB COc1ccccc1Nc1nc(N)nc(CN2C[C@H](C)O[C@H](C)C2)n1 14914266 IZYPEDXBQJEZJX-TXEJJXNPSA-N 344.419 1.815 0 40 EDAB CCN(CC(=O)NC(C)C)CC(=O)c1ccc(N2CCCC2=O)cc1 6849187 DZDZUQIYGMTQSK-UHFFFAOYSA-N 345.443 1.843 0 40 EDAB COc1ccc(CCNC(=O)Cn2nnc(-c3cccs3)n2)cc1 15555118 VIYLKYPTHDEIPQ-UHFFFAOYSA-N 343.412 1.769 0 40 EDAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1 7248558 WIXCKAGCKJHHOH-INDWDQIESA-N 343.470 1.886 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)N1CCCCC1 7293084 ROCUIGHYIHJDJP-UHFFFAOYSA-N 328.372 1.745 0 40 EDAB C[C@@H](OC(=O)COc1ccccc1)C(=O)Nc1sccc1C(N)=O 15688058 NAUKXWWULBLPRC-SNVBAGLBSA-N 348.380 1.796 0 40 EDAB COc1cc(CN2CCC(NS(C)(=O)=O)CC2)ccc1SC 68802882 FTHRZTCCAQMPNS-UHFFFAOYSA-N 344.502 1.931 0 40 EDAB Cc1nc(S(=O)(=O)N(C)C[C@@H](C)O)sc1Br 96008631 RAFRFYAUGUFXKD-RXMQYKEDSA-N 329.241 1.215 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2cn(C)nc2-c2ccncc2)CC1 69349811 DMFXBAOBONOJEG-OAHLLOKOSA-N 343.475 1.665 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 8314239 OWGRJFZOANOYSB-ZDUSSCGKSA-N 346.431 1.571 0 40 EDAB CCN(CC)CC(=O)N(C)C1CCN(c2cc(C)nc(C)n2)CC1 69451986 DANCRSRRKURWOT-UHFFFAOYSA-N 333.480 1.862 0 40 EDAB CN(Cc1ccc(/C=C/C(=O)NCc2ccncc2)o1)S(C)(=O)=O 20449856 DTRQTAVVTIQROC-AATRIKPKSA-N 349.412 1.396 0 40 EDAB O=C(O)c1ccccc1OCCN1CCN(c2ccccn2)CC1 19832775 HNMDXILTZLDNLO-UHFFFAOYSA-N 327.384 1.981 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cccn1Cc1ccncc1)C2 69518118 GVIRTOQZHATWII-UHFFFAOYSA-N 336.399 1.741 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)N[C@@H]1CCCc2ccccc21 69596021 YANDRGPLCZTBFP-SJLPKXTDSA-N 339.443 1.936 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(C(=O)c3ccnc(Cl)c3)CCO2)n1 96432804 MCDPECBKCQVISR-ZDUSSCGKSA-N 335.795 1.485 0 40 EDAB CCC(CC)(CNC(=O)[C@@H]1CCCCN1C(C)C)S(C)(=O)=O 96441310 MYBXGMQHGXCDEE-AWEZNQCLSA-N 332.510 1.969 0 40 EDAB Cn1cc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1C(N)=O 78255684 PSFAXFKIPQSXIX-UHFFFAOYSA-N 335.747 1.801 0 40 EDAB O=C(CNC(=O)c1c(F)cccc1Cl)NCC[C@@H]1CCCO1 71885989 XIDWRQGBJCIWBJ-JTQLQIEISA-N 328.771 1.894 0 40 EDAB CNC(=O)CN1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 71812634 VSLJTQHTTNPDMR-UHFFFAOYSA-N 335.835 1.262 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cccc(C(N)=O)c2)n1 71870154 PZDUVUPYRIZTGD-MRXNPFEDSA-N 326.400 1.904 0 40 EDAB O=C(NCCCNC(=O)c1ccc2[nH]nnc2c1)c1cccc(F)c1 71896655 YRJHXYNDQPIGDQ-UHFFFAOYSA-N 341.346 1.647 0 40 EDAB CCCn1nc(C(=O)N2CCCC[C@@H]2Cn2cccn2)ccc1=O 71865002 GDQHUFGXHWDXSD-CQSZACIVSA-N 329.404 1.545 0 40 EDAB C[C@H](C(=O)N1CCCCCC1)[S@@](=O)Cc1cccc(C(N)=O)c1 83888847 HSVRKYNLEZULIM-JCQPUDPBSA-N 336.457 1.825 0 40 EDAB CC[C@@H](C)[C@](C)(O)CNC(=O)CCN1C(=O)c2ccccc2C1=O 71916753 GQJQAYNESMAKSN-KZULUSFZSA-N 332.400 1.586 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCN(c3ncccn3)CC2)cc1C 71921588 LXFNGNJJBGHKIY-UHFFFAOYSA-N 346.456 1.994 0 40 EDAB Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc2c(c1)nnn2C 97143895 KDECHYXJZWELLZ-INIZCTEOSA-N 325.372 1.521 0 40 EDAB C[C@H](c1ccsc1)N1CCN(C(=O)NCCC[S@](C)=O)CC1 97142712 RJZKPAIKXMFYAW-MCMMXHMISA-N 343.518 1.905 0 40 EDAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)c1cnn3cccnc13)C2 97198063 YKZADPSTHGBPGN-LBPRGKRZSA-N 338.415 1.968 0 40 EDAB Cc1cccc(C)c1-n1nnnc1C[S@](=O)CCC(=O)NC(C)C 83954622 WAMQNFSGEHAGAK-DEOSSOPVSA-N 349.460 1.443 0 40 EDAB CNC(=O)c1cccc(CN2CC[C@H](N(C)Cc3nnc(C)o3)C2)c1 78891390 ODIBPLSDUZLVQB-INIZCTEOSA-N 343.431 1.444 0 40 EDAB COC(=O)[C@@H](O)CNC(=O)c1ccccc1C(=O)c1ccc(C)cc1 95451055 UTYONFYAUSRVRG-INIZCTEOSA-N 341.363 1.490 0 40 EDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1n[nH]c3ccccc13)CC2 95400625 ZQJSRQKGWQRVIH-CABCVRRESA-N 329.400 1.955 0 40 EDAB CCS(=O)(=O)CCn1nc(Br)nc1Br 79001457 HXGNYQJZUGZZDS-UHFFFAOYSA-N 347.032 1.238 0 40 EDAB CCc1cc(N[C@@H](CS(C)(=O)=O)c2ccccc2)n2ncnc2n1 89282827 AAHOXAOMBCGBRG-AWEZNQCLSA-N 345.428 1.885 0 40 EDAB CC(C)CNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408703652 VVTSGVOOZMZQAR-UHFFFAOYSA-N 328.434 1.229 0 40 EDAB Cc1cccc(CCNC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 75128025 RLRDINZYSWTOGB-QGZVFWFLSA-N 346.475 1.424 0 40 EDAB CC(C)c1c(C(=O)N2C[C@H](O)[C@H](O)C2)cnn1-c1ccc(F)cc1 89891153 VKECGXWDYDDCNZ-GASCZTMLSA-N 333.363 1.312 0 40 EDAB NS(=O)(=O)CC1CCN(Cc2nc(-c3ccccc3)no2)CC1 89991646 KHFZATSGDYQRSV-UHFFFAOYSA-N 336.417 1.237 0 40 EDAB Cn1cc([C@@H]2CN(CCOc3cccc(C(=O)O)c3)CCO2)cn1 514943751 LDSGQGDMNSDANG-INIZCTEOSA-N 331.372 1.571 0 40 EDAB Cc1cc(N[C@@H]2CCC(=O)N(C)C2=O)n2nc(C(F)(F)F)nc2n1 521395936 FLAAVXALQZZXCP-SSDOTTSWSA-N 342.281 1.011 0 40 EDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1 71979974 FJVVQCCDPDYTDE-ZDUSSCGKSA-N 338.791 1.688 0 40 EDAB Cc1cc(-c2cnc(N3CCNC(=O)C3)nc2[C@@H]2CCCO2)on1 72324931 UDURLEMVURTJJO-LBPRGKRZSA-N 329.360 1.228 0 40 EDAB COC(=O)c1scc(C)c1S(=O)(=O)NCCc1ccn(C)n1 318639589 DJMFPBHJWQGVCP-UHFFFAOYSA-N 343.430 1.098 0 40 EDAB COC(=O)c1cc(OC)ccc1OC(=O)c1cccc(C(N)=O)c1 78442922 TYESRMVKOHVONK-UHFFFAOYSA-N 329.308 1.800 0 40 EDAB CN1C(=O)C[C@@H](CNc2noc(C(C)(C)C)n2)[C@@H]1c1nccn1C 560344039 BWGKYZDVOXRQML-CMPLNLGQSA-N 332.408 1.732 0 40 EDAB O=C([C@H]1CCCCN1C(=O)c1c(O)cccc1F)N1CCOCC1 123271258 MYGVKPNNBKFBGP-CYBMUJFWSA-N 336.363 1.385 0 40 EDAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCc1ccc2c(c1)CCC2 77345075 LLGKNVXFLHNZRK-QWHCGFSZSA-N 336.457 1.892 0 40 EDAB O=C(CN1CC(=O)Oc2ccccc21)Nc1nnc(C2CC2)s1 71289043 QPYYNROVATUUPR-UHFFFAOYSA-N 330.369 1.780 0 40 EDAB CCC(=O)N1CCCN(c2cncc(-n3nc(C)cc3C)n2)CC1 78719007 WVBPWJOMVKDQDX-UHFFFAOYSA-N 328.420 1.728 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1 226087684 GCVMQHGLUSEAPB-UHFFFAOYSA-N 342.461 1.914 0 40 EDAB CCCS(=O)(=O)NC1CCN([C@H](C(=O)O)c2ccsc2)CC1 570220263 QSLQAYRLEVHAKL-ZDUSSCGKSA-N 346.474 1.668 0 40 EDAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccccc2)s1 224257286 YTXCXLYLYWWRBE-UHFFFAOYSA-N 345.427 1.604 0 40 EDAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C)CC2)cs1 225422910 BAWAKEBOIICGFP-CYBMUJFWSA-N 325.478 1.667 0 40 EDAB biogenic,in-vitro COC[C@@H]1CN(S(=O)(=O)Cc2ccccc2)Cc2cn(C)nc21 96068282 SORIKMFUVLDLRQ-HNNXBMFYSA-N 335.429 1.496 0 40 EDAB O=C(Cn1cc(C(=O)O)ccc1=O)NCc1ccc(F)cc1Cl 95470258 YULSVNMQXICJBJ-UHFFFAOYSA-N 338.722 1.655 0 40 EDAB O=S(=O)(C1CC1)N1CCC2(CC1)C[C@H](Oc1ccccn1)CO2 96107011 IIIPEGIDOCVXJG-ZDUSSCGKSA-N 338.429 1.576 0 40 EDAB CN(C)S(=O)(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 96456162 KMASEWCLCIYMAL-AWEZNQCLSA-N 340.836 1.958 0 40 EDAB Cn1cc([C@@H]2CC(=O)NC23CCN(C(=O)c2ccoc2)CC3)cn1 96199785 DXXQIRLVAVYXSR-AWEZNQCLSA-N 328.372 1.292 0 40 EDAB C[C@H](C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21)n1cccn1 331977036 RYDWDBZSVFCFJX-LLVKDONJSA-N 335.385 1.273 0 40 EDAB Cn1nnc(-c2ccc(OCC(=O)NCCc3ccccn3)cc2)n1 96223266 JFPZUQWKVRZXAU-UHFFFAOYSA-N 338.371 1.010 0 40 EDAB Cc1nc(N(C)C)sc1C(=O)Nc1cc(-c2nccn2C)[nH]n1 96496681 MECUZYNUAUOTDC-UHFFFAOYSA-N 331.405 1.893 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCCc2cscn2)[C@H]1c1cccnc1 96419976 ZCFRZNOISVZJSH-DZGCQCFKSA-N 330.413 1.416 0 40 EDAB CN1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1=O 96161472 CDNLXVCKFGRSIS-MDZRGWNJSA-N 328.412 1.497 0 40 EDAB Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(CC4CC4)C[C@H]3O2)cn1 96066224 IZNKWJFBVLVJJQ-BHYGNILZSA-N 330.432 1.291 0 40 EDAB CNC(=O)C[C@H]1CC2(CCN(C(=O)COC)CC2)Oc2ccccc21 96053294 NGUOZLPVEMXWMU-AWEZNQCLSA-N 346.427 1.696 0 40 EDAB O[C@@]1(c2cnn[nH]2)CCCN(Cc2cncc(Br)c2)C1 583617539 PHIGFULFUCXPHX-ZDUSSCGKSA-N 338.209 1.446 0 40 EDAB CO[C@](C)(CNS(=O)(=O)c1cn(C)cn1)c1ccccc1F 96123611 RFUBJDWWERYHTR-CQSZACIVSA-N 327.381 1.399 0 40 EDAB O=C(c1ccncc1)N1CC2(C1)OCC[C@@H]2COCC1CCOCC1 247842897 FZCNHBVPDCMZAA-QGZVFWFLSA-N 346.427 1.756 0 40 EDAB O=C([C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21)N1CCC1 247864377 NWJNEHJOHHXDDL-OAHLLOKOSA-N 340.383 1.401 0 40 EDAB NC[C@]1(C(=O)O)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242688578 VTFMVLIRCLWHFQ-UXLLHSPISA-N 349.383 1.795 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 257297032 RFLYQGSOBUUJBD-AWEZNQCLSA-N 334.420 1.265 0 40 EDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(Cc2ccccn2)C3)n1 253479273 PNJYZUXOGUTFIS-MRXNPFEDSA-N 326.400 1.992 0 40 EDAB Cc1cccnc1C(=O)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257313433 USJAWXVFFDFRGA-HOTGVXAUSA-N 337.379 1.646 0 40 EDAB O=C(N[C@@H]1CC[C@H](N2CCN3C(=O)CC[C@@H]3C2)C1)c1cccc(F)c1 585079708 USDQGXCYBJNULF-IXDOHACOSA-N 345.418 1.783 0 40 EDAB CC(=O)n1ccc2cc(C[C@H]3COCCN(CCC(N)=O)C3)ccc21 257326287 WWQJVQNWOOUBHB-MRXNPFEDSA-N 343.427 1.668 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)C1=C(c2ccccc2)SCCO1 585120873 SAOSILMCFZIMPZ-UHFFFAOYSA-N 332.425 1.856 0 40 EDAB Cc1ccc(-n2cc(NC(=O)NCc3nc(CO)n[nH]3)cn2)c(C)c1 585135458 KSZCBXOGXHRGFW-UHFFFAOYSA-N 341.375 1.421 0 40 EDAB COCC[C@H](CN[C@@H](C)c1ncn(C)n1)NC(=O)OC(C)(C)C 585117558 LHEDRYBHRXUQFL-NWDGAFQWSA-N 327.429 1.396 0 40 EDAB Cc1cn(C)c([C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1 257327361 XBBMPMOJDIWHQI-MRXNPFEDSA-N 349.456 1.706 0 40 EDAB CS(=O)(=O)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 257210240 BTTFTUVAADPXMZ-HOTGVXAUSA-N 325.430 1.786 0 40 EDAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 257326846 WYVMUISWXKLJKE-CYBMUJFWSA-N 340.383 1.803 0 40 EDAB Cn1ccc(C(=O)NCc2ncc(-c3ccccc3C(=O)O)cn2)n1 257282799 OVJHEJSBPOCLRP-UHFFFAOYSA-N 337.339 1.505 0 40 EDAB O=C(NC1CC1)[C@@H](O)C1CCN(Cc2ccc3c[nH]nc3c2)CC1 585655742 FSIGEHIUZRPEGB-KRWDZBQOSA-N 328.416 1.414 0 40 EDAB CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)c2nccn2C)C1 257261736 LIPKGCXLJQADDX-ZDUSSCGKSA-N 328.420 1.371 0 40 EDAB Cc1nccc([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257242138 IBGIBUTWHFOWQD-LBPRGKRZSA-N 325.415 1.609 0 40 EDAB COC(=O)c1ncnc(N2CCC[C@@](O)(C(F)(F)F)CC2)c1OC 603377003 TYAKJGUPDJGKSC-ZDUSSCGKSA-N 349.309 1.556 0 40 EDAB O=C(c1cnns1)N1C[C@@H]2CC[C@]2(Nc2cncc(Cl)n2)C1 1615055576 CUBMDBUQQGFDFK-SDBXPKJASA-N 336.808 1.698 0 40 EDAB NC(=O)CN1[C@H](c2ccc(Br)cc2)CCS1(=O)=O 1615588814 SNSSRHIDWSFSRA-JTQLQIEISA-N 333.207 1.011 0 40 EDAB O=C(NCC[C@H](O)c1ccoc1)C(=O)Nc1ccc2c(c1)OCO2 96097335 JIMNBHLNAIRRAD-LBPRGKRZSA-N 332.312 1.187 0 40 EDAB Cc1cccc(CC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)c1 96122048 OMCLVCKHWDFFPH-UHFFFAOYSA-N 333.409 1.956 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@H](CNC(=O)c3cccn3C)CO2)C1 575403685 JYDINHFBZXQBLT-KFWWJZLASA-N 345.443 1.419 0 40 EDAB CCOc1ccc(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)cc1 575603782 KOMDIFWNBXZAAJ-UHFFFAOYSA-N 344.419 1.332 0 40 EDAB CN(C)CCN1CCOCC2(CCN(C(=O)C3(F)CCC3)CC2)C1 585102425 FWRRRVKGAPYYDC-UHFFFAOYSA-N 341.471 1.381 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1nccnc1C 585287761 FGBNFYOUXYHOBJ-SCLBCKFNSA-N 346.431 1.463 0 40 EDAB CC(=O)N[C@@H](C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1)C(C)C 44939156 RSRWBXYKMWQXFP-SUMWQHHRSA-N 348.447 1.084 0 40 EDAB O=C(Cc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)OCCO2 53845972 XODQUNJYWFSITG-UHFFFAOYSA-N 337.335 1.876 0 40 EDAB COc1ccc(NC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1 58014553 WEFCBQBIFAPUAN-UHFFFAOYSA-N 341.433 1.583 0 40 EDAB O=C1[C@H](Sc2nnc(Cn3cncn3)o2)CCN1c1ccccc1 69251597 QIWYQZREKSIEBJ-GFCCVEGCSA-N 342.384 1.607 0 40 EDAB Cn1cc(N2CCC[C@@H](Nc3ccccc3S(C)(=O)=O)C2)cn1 78368748 ORLZJEVYSPJAKR-CYBMUJFWSA-N 334.445 1.905 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@@H](N(C)C)[C@H](C)C1 78894419 UHIQCWICPXNBPQ-IAQYHMDHSA-N 330.436 1.082 0 40 EDAB O=C(c1cc[nH]n1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 585582099 NLXBQMNGYSJGJR-UHFFFAOYSA-N 337.387 1.745 0 40 EDAB Cn1cc(S(=O)(=O)N[C@@H]2C[C@H](N)C23CCC3)c(C2CCCC2)n1 1615057034 CXBBLPZSLISOCN-UONOGXRCSA-N 338.477 1.626 0 40 EDAB Cc1ccccc1N1CCC(O)(CN2CCC[C@@](C)(C(N)=O)C2)CC1 1616178898 GOVJKKQADHMDAZ-LJQANCHMSA-N 345.487 1.914 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 5090821 YIHVHEGAAFLWJZ-UGUYLWEFSA-N 348.374 1.353 0 40 EDAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)NCCCc3ccccn3)N2C=C1 12148608 QAADZDZJZDWYSO-IBGZPJMESA-N 338.411 1.994 0 40 EDAB COCCNCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O 12291644 WBMVMQWJCSNIIS-UHFFFAOYSA-N 330.363 1.897 0 40 EDAB Cc1cccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CCNC4)C2)c1 19234630 GMIUEWVFFNYFPA-INIZCTEOSA-N 336.439 1.989 0 40 EDAB COc1cccc(C(=O)N2CC[C@H](C(=O)Nc3cn(C)nc3C)C2)c1 19750236 GPWVPKJWRNNGRY-AWEZNQCLSA-N 342.399 1.838 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)C1CN(c2cc(-n3ccnc3)ncn2)C1 575604693 CYWQGEPBCFEUGU-DZGCQCFKSA-N 340.431 1.793 0 40 EDAB C/C=C/C(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 6461341 JCPQMULTHOCMQS-ZRQQLDRUSA-N 340.401 1.383 0 40 EDAB O=S(=O)(C1CC1)N1CCN(c2nc(C3CC3)nc3c2CCC3)CC1 1888876200 CLZWJZMGYNOISQ-UHFFFAOYSA-N 348.472 1.457 0 40 EDAB CS(=O)(=O)c1cccc2sc(N3CCC[C@@H]3C(N)=O)nc12 1889101215 RCMBGSUBHJPOFK-MRVPVSSYSA-N 325.415 1.154 0 40 EDAB FC(F)(F)c1ccc(N2CCN(C[C@@H]3COCCO3)CC2)nc1 1849115979 NPQFLJRGDUDFLQ-CYBMUJFWSA-N 331.338 1.638 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCC2 30583887 IFRFBJPCUSQMPD-INIZCTEOSA-N 336.457 1.719 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@@H](c2ncon2)C1 238862114 KXFOGGLYGPEWFE-SNVBAGLBSA-N 337.357 1.019 0 40 EDAB CC(C)N1C[C@]2(CCN(C(=O)Cc3ccccc3F)C2)COCC1=O 2037985705 SRPWNEACIOSBMM-LJQANCHMSA-N 348.418 1.854 0 40 EDAB Cn1ccc(CN2CCCN(c3ccc4nccn4n3)CC2)cc1=O 2086992661 CTEORGMABNYOJH-UHFFFAOYSA-N 338.415 1.140 0 40 EDAB COc1cnc(O[C@H]2CCN(CC(=O)NC3CCCCC3)C2)nc1 2087048817 CHOCCGXWHQQYSJ-AWEZNQCLSA-N 334.420 1.387 0 40 EDAB Cc1cc(C)nc(N2CC[C@H]3[C@@H]2CC(=O)N3Cc2cc(C)nn2C)n1 1565541905 OCOLYJWBDFVLPL-HOTGVXAUSA-N 340.431 1.515 0 40 EDAB O=C(CC1(O)CCC1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 1565543477 RPHZNAOMPJCHTG-KEYYUXOJSA-N 332.400 1.524 0 40 EDAB O=C(C1CC(F)C1)N1CCC2(CC1)CCN(c1cncnc1)C2=O 1565545126 AIEIRCMSDFTTRX-UHFFFAOYSA-N 332.379 1.570 0 40 EDAB CCC(=O)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21 9016612 BJFBVEYYNKZXCN-UHFFFAOYSA-N 343.362 1.307 0 40 EDAB COCCN1CCC(CNC(=O)c2cccc(OC)c2OC)CC1 23014119 PLICXKQLNPAXKX-UHFFFAOYSA-N 336.432 1.792 0 40 EDAB Cc1nnc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)s1 2086884460 WGIQJCOPZKDVOT-SNVBAGLBSA-N 332.376 1.309 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)Cc2ccco2)cc1C 206620811 QRMDQCVERMAKCV-SFHVURJKSA-N 330.384 1.945 0 40 EDAB CCOC(=O)N1CCC(NC(=O)C(=O)Nc2ccccc2OC)CC1 38490229 AHIOILJCBCSVNW-UHFFFAOYSA-N 349.387 1.371 0 40 EDAB Cc1cccc(C(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)c1 575616627 UOYQALVHAXOVEZ-UHFFFAOYSA-N 339.461 1.243 0 40 EDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(Nc2ccncn2)C1 618256944 ZREUVKQPLCVLBI-NSHDSACASA-N 342.355 1.296 0 40 EDAB COC(=O)[C@@](C)(Cl)CNS(=O)(=O)c1ccc(Cl)cc1 2697793 PJWMPBWINLHRGW-NSHDSACASA-N 326.201 1.789 0 40 EDAB O=C(NCCN1CCOCC1)c1cc(-c2cccc(Cl)c2)[nH]n1 40082792 OXXNJLMHSYYVIJ-UHFFFAOYSA-N 334.807 1.792 0 40 EDAB COC(=O)c1cccc2c3c([nH]c12)CCN(C(=O)[C@@H]1COCCO1)C3 31226099 ROTAUSDTYAOAET-HNNXBMFYSA-N 344.367 1.255 0 40 EDAB CN(C)C(=O)N1CCN(Cn2c(=O)oc3cc(Cl)ccc32)CC1 40520042 RVCPFPGPTSSDRH-UHFFFAOYSA-N 338.795 1.505 0 40 EDAB COc1ncccc1NC(=O)CN1C(=O)[C@H](C)Oc2ccccc21 40539858 XUXRSVBUEDEJTB-NSHDSACASA-N 327.340 1.843 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)C3=NN(C)C(=O)CC3)cn2)C[C@H](C)O1 40553203 SHSBPFMQPUNTBC-RYUDHWBXSA-N 345.403 1.242 0 40 EDAB O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc2c(c1)OCCO2 40525189 JMGPPGHUILKWIP-CQSZACIVSA-N 335.404 1.426 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1C[C@H](O)c1ccccc1Cl 51260122 HKGOUMCEOYHDKM-SMDDNHRTSA-N 326.805 1.801 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)CN(C)S(C)(=O)=O)cc1 46148586 FKCHDPMKNZKHLT-CQSZACIVSA-N 326.418 1.250 0 40 EDAB CCN1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC)CC1 68288157 HCJGUVQYIFHWNP-INIZCTEOSA-N 333.432 1.554 0 40 EDAB O=C1COc2ccccc2N1CC(=O)N(Cc1cccnc1)C1CC1 1361683 VMJJGRSPUILGGK-UHFFFAOYSA-N 337.379 1.998 0 40 EDAB O=C(NC[C@@H]1COc2ccccc2C1)c1n[nH]c(=O)c2ccccc12 21407422 SEQCIQXPRULKEW-GFCCVEGCSA-N 335.363 1.904 0 40 EDAB CCOC(=O)C1=C(CN(CC)C2CC2)NC(=O)N[C@@H]1c1ccco1 29913605 WAJJCYOIDGHDRL-OAHLLOKOSA-N 333.388 1.935 0 40 EDAB O=C(NCCc1nnc2ccccn12)Nc1ccc2c(c1)OCO2 32862340 XVZSLKPJBQFTKB-UHFFFAOYSA-N 325.328 1.822 0 40 EDAB O=C(CSc1nc2ccccc2c(=O)n1C1CC1)N1CCNC1=O 7861106 DOSZBPGQCAENGH-UHFFFAOYSA-N 344.396 1.375 0 40 EDAB COC(=O)CNC(=O)CN1C(=O)[C@H](C(C)C)Oc2ccc(C)cc21 4970852 DTCBNSISZGUBJE-INIZCTEOSA-N 334.372 1.034 0 40 EDAB COc1ccc(CNCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 6052477 SZIWVIWCUKRPAC-UHFFFAOYSA-N 349.412 1.071 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)n2cnc3c(S)ncnc32)cc1 6186258 NXYWCULPGSAJOR-UHFFFAOYSA-N 349.397 1.310 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1cccc(F)c1 6739632 ACYKJOMKTADUKI-UHFFFAOYSA-N 326.324 1.882 0 40 EDAB COc1ccccc1N1CCN(C(=O)C(=O)N2CCCCC2)CC1 6954923 HZQQBIBSJCZTQY-UHFFFAOYSA-N 331.416 1.356 0 40 EDAB COc1cc(CNn2nnnc2N)ccc1OCc1ccccc1 7602415 MCDNBSMRZWSJPJ-UHFFFAOYSA-N 326.360 1.587 0 40 EDAB Cc1ccc2c(c1)S[C@@H](C(=O)NCC1(C(N)=O)CCOCC1)C2 52743926 COSZULJEFJOFKQ-CQSZACIVSA-N 334.441 1.410 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)CCc1c(C)nn(C)c1C 102747884 AHEFIPFOLKKMTC-PYTWLRIVSA-N 333.432 1.673 0 40 EDAB OCCN1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 22030144 SANUBOPPIDSKJG-MJGOQNOKSA-N 334.460 1.051 0 40 EDAB C[C@H](C(=O)NC1CC1)N1C(=O)N[C@]2(CCCc3ccccc32)C1=O 8315843 JNVIVGPVIWLEBN-ZMZPIMSZSA-N 327.384 1.437 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 47009879 XXRCIEFWDNJZME-KFWWJZLASA-N 346.493 1.370 0 40 EDAB COc1ccccc1C(=O)NC(=S)Nc1nnn(CC(C)C)n1 21596157 MKZNBHAFPKHIFU-UHFFFAOYSA-N 334.405 1.465 0 40 EDAB Cc1nc2ccc(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)cc2nc1C 104111017 WAPBXIBPFFLPSF-HNNXBMFYSA-N 338.367 1.266 0 40 EDAB COc1cccc(OC)c1C(=O)NC(=S)NC1=NCCS1 9140200 AHTGHPPKPZUDGA-UHFFFAOYSA-N 325.415 1.411 0 40 EDAB C[C@]1(NC(=O)CNc2ccc(F)c(F)c2F)CCS(=O)(=O)C1 22907739 KBHOSPXPWCSQFP-ZDUSSCGKSA-N 336.335 1.209 0 40 EDAB CCOC(=O)N1CCC(NS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 23018074 QVWAUCZJKMNIAV-STQMWFEESA-N 347.481 1.420 0 40 EDAB CN(C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccco1 42476216 NHNRBAKBPBBJQW-LSDHHAIUSA-N 333.432 1.647 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)CC1 100267900 HEPJPRFOZWRCOJ-IAGOWNOFSA-N 338.404 1.409 0 40 EDAB O=C(NCc1cn2ccccc2n1)c1ccc(Cn2cncn2)cc1 23754883 NYNINANIPGNWNE-UHFFFAOYSA-N 332.367 1.904 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3cnn(C)c3)CC2)cc1OC 24336577 KYHIXYIKHLEGSG-UHFFFAOYSA-N 344.415 1.395 0 40 EDAB C[C@H](CNC(=O)[C@@H](C)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 24594098 OGVJRZHOWRKYIP-HZPDHXFCSA-N 343.471 1.849 0 40 EDAB CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](C)Cn2cccn2)cc1 24806720 ZYXWBFHEWFJVAP-CQSZACIVSA-N 343.431 1.909 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 106781783 RBUAFQARLHTYDZ-GRYCIOLGSA-N 345.369 1.420 0 40 EDAB Cn1c(C(=O)N2CCC(N3CCNC3=O)CC2)cc(Cl)c1Cl 55786524 OGVOJWZRQQDZGX-UHFFFAOYSA-N 345.230 1.962 0 40 EDAB Cc1ccc(Cn2ccc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)n2)cc1 102015340 NHWMWPCCTXFXQU-NXNVCVFFSA-N 337.379 1.907 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN([C@@H](C(N)=O)c3ccccc3)C2)no1 107056211 UNEYBSCIRMJIOL-GOEBONIOSA-N 329.404 1.111 0 40 EDAB CCOc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 102354036 ANTCXSHKLKSCLR-AFWDSHEPSA-N 331.368 1.917 0 40 EDAB C[C@H](Cn1cc(Br)cn1)C(=O)N1CCC(C(N)=O)CC1 28233282 ZNYPQSKYXYLDNF-SECBINFHSA-N 343.225 1.006 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)[C@@H]2CCCCN2C1=O 58082884 NCWBQNMKWNHLQD-GJZGRUSLSA-N 332.400 1.860 0 40 EDAB O=c1ccc(-c2nnco2)cn1CCOCCOc1ccccc1 58144522 OFPHHWYIMFYRNF-UHFFFAOYSA-N 327.340 1.994 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NC[C@H](C)Cn2nc(C)cc2C)C1 44971681 RFDXCXRHKRVIMK-LRDDRELGSA-N 335.452 1.446 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)NC[C@@H](O)c1ccccc1F 44966688 YISPAYFRRXTHBB-CQSZACIVSA-N 347.394 1.676 0 40 EDAB CCCn1c(=O)n(CC(=O)N[C@@H](C)[C@H]2CCCO2)c2ccccc21 27882846 PUODMDVIOANLEN-XJKSGUPXSA-N 331.416 1.897 0 40 EDAB COc1nc(C(=O)N(C)CC(=O)N2CCCC2)cc2ccccc12 58305522 KZMMIFZBKNSTGA-UHFFFAOYSA-N 327.384 1.938 0 40 EDAB CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1F 58323304 YUNMWCYLNXRNPP-NSHDSACASA-N 346.449 1.804 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cc2c1C 29190839 DOKJTGFOTDBCBF-AWEZNQCLSA-N 349.456 1.939 0 40 EDAB COc1ccc(C(=O)C2CCN(C(=O)c3nccnc3N)CC2)cc1 12743771 XXHRABPHOHQAQE-UHFFFAOYSA-N 340.383 1.803 0 40 EDAB COc1ccc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 12736206 JSIITNDWQOMJEV-UHFFFAOYSA-N 327.406 1.241 0 40 EDAB CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1COCCO1 68824066 GBKFCOXRBLWXQK-IHRRRGAJSA-N 344.477 1.244 0 40 EDAB C[C@@H](NC(=O)[C@@H](c1ccccc1)N1CCCC1)C(=O)N1CCOCC1 69844289 BSUFXVXTACSNMX-NVXWUHKLSA-N 345.443 1.187 0 40 EDAB C[C@@H](CCNC(=O)NCC(C)(C)NS(C)(=O)=O)c1ccccc1 69104998 LOAYHSNEBLPSGL-ZDUSSCGKSA-N 341.477 1.807 0 40 EDAB CC1=NN(c2ccc(C(=O)N3CCN(C[C@@H](C)O)CC3)cc2)CC1 70016213 LXTUPSSBCMBWOY-OAHLLOKOSA-N 330.432 1.411 0 40 EDAB CCc1ccc(N2C(=O)c3sc4nncc(=O)n4c3C2=O)cc1 4121873 BXIOEXREAAZUKS-UHFFFAOYSA-N 326.337 1.514 0 40 EDAB FC(F)(F)c1nnc2ccc(N3CCC[C@@H](C4OCCO4)C3)nn12 69310201 LYDJDLZRKPSCIG-SECBINFHSA-N 343.309 1.732 0 40 EDAB COc1ccc(C)cc1CCNC(=O)CCc1c(C)nc(C)[nH]c1=O 13986515 LQXKGKJEJTXUTH-UHFFFAOYSA-N 343.427 1.995 0 40 EDAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 6316192 ISRVOLYIBWIKPL-UHFFFAOYSA-N 348.380 1.618 0 40 EDAB COCCn1cc(NC(=O)N2CCN(Cc3cccnc3)CC2)cn1 65415640 PXKMNISDFKEOLW-UHFFFAOYSA-N 344.419 1.274 0 40 EDAB COc1ccc(C2(C(=O)NCCN3CCCC3)CCOCC2)cc1 65443814 MPMGLYHDACYRQX-UHFFFAOYSA-N 332.444 1.955 0 40 EDAB Cc1cccc(OCCNC(=O)[C@H](C)N2CCO[C@H](CN(C)C)C2)c1 69972495 GMGRNXMSJRKWPH-FUHWJXTLSA-N 349.475 1.141 0 40 EDAB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(=O)[nH]c1 65504247 FOYLATPLBKSXGJ-UHFFFAOYSA-N 327.384 1.137 0 40 EDAB Cc1oc(C)c(C(=O)N2CCN(C[C@@H](C)O)CC2)c1Br 69980687 ZZYKLTLWRMOGFX-SECBINFHSA-N 345.237 1.798 0 40 EDAB Cn1cc(-c2nc(CN3c4ccccc4C[C@H]3C(N)=O)cs2)cn1 65623136 ZZKWTFPNHOMGPY-HNNXBMFYSA-N 339.424 1.960 0 40 EDAB NC(=O)c1sc2nc(N)c(C(=O)Nc3ccccc3)cc2c1N 22025294 WPFCWZXCYSTDPV-UHFFFAOYSA-N 327.369 1.812 0 40 EDAB O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)c1ccccc1 69537850 BLRLIVQFRZSBKT-UHFFFAOYSA-N 327.388 1.933 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@]1(O)CCCc2ccccc21 66930427 OBHQKYRCYHIAGP-YJYMSZOUSA-N 342.395 1.738 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)s1 69655227 NMIIELBGYKMUPZ-UHFFFAOYSA-N 329.425 1.979 0 40 EDAB COC(=O)c1cc(C)nc2nc(SCc3cnn(C)c3)[nH]c(=O)c12 69742880 HVRAHYYQLMFXSC-UHFFFAOYSA-N 345.384 1.439 0 40 EDAB CC(C)c1nc(CSCC(=O)N[C@H]2CCS(=O)(=O)C2)cs1 69737751 MCIZNEUNHNGZNP-JTQLQIEISA-N 348.515 1.803 0 40 EDAB COC(=O)CSCCNC(=O)N[C@@H]1CCCc2c1cnn2C 69700466 WWNUCZQIPVYJIN-LLVKDONJSA-N 326.422 1.003 0 40 EDAB Cc1ccnn1-c1ccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)cc1 69740095 GGGSHIQNMFQSLU-SFHVURJKSA-N 340.427 1.774 0 40 EDAB Cc1ccc([C@@H](CNC(=O)CCN2C(=O)CCC2=O)N2CCCC2)o1 69707329 XLOSCACPOSAZRM-CQSZACIVSA-N 347.415 1.380 0 40 EDAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 17920978 RDCHQYFNINCDCX-ZIAGYGMSSA-N 337.335 1.220 0 40 EDAB CN1CCC[C@@]2(CCN(C(=O)c3scc4c3OCCO4)C2)C1=O 67740896 NYMUEOPIIADJHR-INIZCTEOSA-N 336.413 1.604 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O 8704975 TYGMVRDGHHFSSA-ZDUSSCGKSA-N 335.429 1.915 0 40 EDAB COCCCN1CC2=C(C1=O)[C@H](c1ccc(OC)cc1)NC(=O)N2 7573159 DCTLLIDQWLGIGB-HNNXBMFYSA-N 331.372 1.182 0 40 EDAB COc1ccccc1[C@H](NC(=O)c1cnns1)c1noc(C)n1 70982716 MEDQLKPRSLXXOP-LBPRGKRZSA-N 331.357 1.758 0 40 EDAB CN(C)c1ncccc1C(=O)NCCc1n[nH]c(-c2ccco2)n1 78912113 NJMGTRPXKJXTBW-UHFFFAOYSA-N 326.360 1.498 0 40 EDAB O=C(NCc1ccc(O)c(F)c1)c1c[nH]c(=O)c(Br)c1 78939596 NUDRXHVYVJLQOH-UHFFFAOYSA-N 341.136 1.912 0 40 EDAB CO[C@H]1CCC[C@H]1OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 78985167 ZAVFRIOCPRKWPU-UONOGXRCSA-N 332.356 1.191 0 40 EDAB CCc1ccc(CCC(=O)N2CCN(CCn3cncn3)CC2)cc1 72293054 WHQGSXKNNPOOPG-UHFFFAOYSA-N 341.459 1.618 0 40 EDAB C[C@@H](C(=O)O[C@H](C)C(=O)NC(=O)NC1CC1)N(C)Cc1ccccc1 72290054 OVKBHIDEMFPLBI-QWHCGFSZSA-N 347.415 1.427 0 40 EDAB C[C@H](Cn1cccn1)NCC(=O)NC[C@H]1CCN(c2ccccc2)C1 72267735 FFXBTADRZZSZFE-IAGOWNOFSA-N 341.459 1.504 0 40 EDAB C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@@H]1Cn1cncn1 72267524 KQVYOBDQZGLMNZ-CRAIPNDOSA-N 339.443 1.716 0 40 EDAB O=C(O)c1cc(-c2cccnc2)cc(S(=O)(=O)N2CCOCC2)c1 71738793 PJLDYSQAYCPMFK-UHFFFAOYSA-N 348.380 1.468 0 40 EDAB CS(=O)(=O)c1ccc(CNC[C@@H]2CCCN2c2cccnn2)cc1 71877228 DDQQUTRYDVMBDX-HNNXBMFYSA-N 346.456 1.639 0 40 EDAB Nc1nc(SCC(=O)N[C@@H](c2ccccc2)c2nccs2)n[nH]1 71887998 IFHUDIIFCBYUBW-NSHDSACASA-N 346.441 1.841 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cn(Cc2ccccc2)nn1 71829682 LQUJCQLOJBYYEE-OCCSQVGLSA-N 327.388 1.052 0 40 EDAB Cc1cc2c(NCCNS(=O)(=O)c3cccnc3)nccc2o1 97145231 DNNBLQPLEXIVNU-UHFFFAOYSA-N 332.385 1.922 0 40 EDAB COCCNC(=O)[C@H]1CSCN1C(=O)Nc1ccc(F)cc1 97124720 QQZQOMXKSCUADP-GFCCVEGCSA-N 327.381 1.495 0 40 EDAB Cn1nnc2cc(CNC[C@H]3CCN(CC(F)(F)F)C3)ccc21 79093466 OTRIAQWJKCTORN-GFCCVEGCSA-N 327.354 1.942 0 40 EDAB CC[C@H]1CN(C(=O)Cc2noc3ccccc23)C[C@H]1N1CCOCC1 84735894 ZFBFRPTWBZILSD-WMLDXEAASA-N 343.427 1.940 0 40 EDAB CC(C)COC[C@@H](O)CNC(=O)c1cc(Br)cn1C 95418194 HGYGWBNWHBWLOJ-NSHDSACASA-N 333.226 1.551 0 40 EDAB CCN1CCOC[C@@H]1C(=O)O[C@@H]1CCCN(c2cc(C)nc(C)n2)C1 95461518 UHXCSWBHNILIFS-HZPDHXFCSA-N 348.447 1.326 0 40 EDAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCc1ccncc1 95472130 KKFUFYVPBSDXTR-UHFFFAOYSA-N 326.331 1.555 0 40 EDAB O=C(NCC1CCS(=O)(=O)CC1)N[C@@H]1C[C@H]1c1ccccc1F 95440266 ITBJIWSYMHFTHB-DZGCQCFKSA-N 340.420 1.806 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-n2nc(C)nc2C)cc1 79651011 WLULLOUZHZQEPR-INIZCTEOSA-N 343.431 1.775 0 40 EDAB CCC(O)(CC)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 95991045 ZINKBWWNJBVFAW-UHFFFAOYSA-N 344.452 1.683 0 40 EDAB CCc1cc(=O)[nH]c(CN2CCC[C@@H]2c2nncn2CC(C)C)n1 89282860 FALSMOCBOQAWEF-CQSZACIVSA-N 330.436 1.917 0 40 EDAB Cc1sc2nc([C@H](C)N3CCN(C(=O)CO)CC3)nc(N)c2c1C 89267296 YYRDOKVBEGXQER-JTQLQIEISA-N 349.460 1.088 0 40 EDAB Cc1sc(=O)n(CCC(=O)Nc2ccc(C(N)=O)cc2F)c1C 75092467 CHDYKKMHQYCMBY-UHFFFAOYSA-N 337.376 1.793 0 40 EDAB C[C@H](NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cnccn1 89550546 LJCHATZFGKSYDB-DOTOQJQBSA-N 340.427 1.770 0 40 EDAB CCN1CCC[C@@H](NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 75123115 ICBPMTWPXMTBRE-SNVBAGLBSA-N 332.326 2.000 0 40 EDAB CCC(=O)N1CC[C@H](NCc2c(C)nn(CCO)c2C)[C@H](CC)C1 89948797 HQVTZKSSWATQRA-WBVHZDCISA-N 336.480 1.619 0 40 EDAB O=C(Nc1cc2ccccn2n1)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 554416331 RYYSFEIDHOGUGV-KFWWJZLASA-N 330.388 1.728 0 40 EDAB COc1ccccc1S(=O)(=O)NC[C@@H](c1cccn1C)N(C)C 38674824 DJPACUZRDPCAMY-AWEZNQCLSA-N 337.445 1.615 0 40 EDAB Cc1nc(CCNS(=O)(=O)c2cncc(F)c2)sc1C(=O)O 548208985 AFSJHFOZMYWZEN-UHFFFAOYSA-N 345.377 1.205 0 40 EDAB COc1ccc(-c2nnc(SCC(C)(CO)CO)o2)cc1OC 521394513 IEKQNDFPOZJPFN-UHFFFAOYSA-N 340.401 1.837 0 40 EDAB COc1ccc(NC(=O)C[C@@H]2SC3=NCCN3C2=O)c(OC)c1 36635306 IBQVJUYZIDXNTF-LBPRGKRZSA-N 335.385 1.346 0 40 EDAB NC(=O)Cc1ccc(NS(=O)(=O)c2ccc3nc(O)oc3c2)cc1 32097039 CUTFEXNTGISILU-UHFFFAOYSA-N 347.352 1.362 0 40 EDAB O=C(NCc1ccnc(-n2ccnc2)c1)C1(O)Cc2ccccc2C1 73104570 JSVCAIRBXZUFHN-UHFFFAOYSA-N 334.379 1.413 0 40 EDAB Cn1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)ccc1=O 78992810 VZYMWCJSCUVBHM-UHFFFAOYSA-N 349.500 1.867 0 40 EDAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 32611142 CNMFOSXPRAMORZ-DTWKUNHWSA-N 339.339 1.075 0 40 EDAB C[C@@H](C(=O)N[C@H]1CCOC(C)(C)C1)n1nnc2ccccc2c1=O 71285504 LIFJOVNDVNGNBB-RYUDHWBXSA-N 330.388 1.426 0 40 EDAB COCc1nnc(NC(=O)c2cnc3scc(C)n3c2=O)s1 49544857 OVYAJTMFHTUDRS-UHFFFAOYSA-N 337.386 1.315 0 40 EDAB CC(C)C[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)O 136342188 XYCDTEXPPATTQV-MJBXVCDLSA-N 347.415 1.476 0 40 EDAB COc1cccc(CO[C@H](C)C(=O)N[C@H](C(N)=O)c2ccccc2)c1 42876621 MHKBVBAPVZPCOW-DYVFJYSZSA-N 342.395 1.943 0 40 EDAB CCN(C)C(=O)[C@@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 190130573 NGVSCZOUTLOWPA-WBVHZDCISA-N 346.475 1.817 0 40 EDAB COCCNC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 96231551 VEFQWKBDOYFUGP-UHFFFAOYSA-N 343.408 1.956 0 40 EDAB Cc1noc([C@H]2CCC3(CCN(C(=O)c4ccnnc4)CC3)O2)n1 96109949 BBUWXHMXEUBSGO-CYBMUJFWSA-N 329.360 1.695 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)NCc2cccc3cccnc23)cn1 96421486 SLTPYBAMJLPVSJ-GOSISDBHSA-N 339.399 1.675 0 40 EDAB Cn1nnc2c1CCN(C(=O)CC1CC1)[C@@H]2COCCN1CCCC1 96045315 FYONTEMEDZBYND-MRXNPFEDSA-N 347.463 1.153 0 40 EDAB Cc1occc1C(=O)N1CCOC[C@@]2(CC[C@H](Cn3cncn3)O2)C1 96160507 IGBZJYJESPTDMK-RHSMWYFYSA-N 346.387 1.270 0 40 EDAB COCCN1CCC[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 577761066 BTKRUCVYOALFAN-AWEZNQCLSA-N 331.420 1.187 0 40 EDAB COc1csc(C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1 96446307 BMPVQWRQXUSSGU-SECBINFHSA-N 336.335 1.992 0 40 EDAB O=C([C@H]1CC=CCC1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124291 KZAFBVREMVYIKK-AWEZNQCLSA-N 339.403 1.062 0 40 EDAB CN(CCn1cccn1)C(=O)NCC1(c2ccc3c(c2)OCO3)CC1 96405583 IRTUKBKXXDLNTN-UHFFFAOYSA-N 342.399 1.985 0 40 EDAB Cc1cc([C@@](C)(O)CNS(=O)(=O)c2c[nH]c(C(C)C)n2)c(C)o1 96483548 KRPLOZCCQOYBQV-HNNXBMFYSA-N 341.433 1.929 0 40 EDAB O=C(NCc1ccncc1)c1nc2c(o1)CN(Cc1cccnc1)C2 96147296 SKTMWEYHBPUVKG-UHFFFAOYSA-N 335.367 1.910 0 40 EDAB CC(C)CS(=O)(=O)C1CN(C(=O)c2ccc3nccnc3c2)C1 96380129 HSYKTBGKXXVYPW-UHFFFAOYSA-N 333.413 1.525 0 40 EDAB CCN1C[C@H](COC(=O)c2cncc(Br)c2)CC1=O 96416230 JEVURGOQTRGORF-SECBINFHSA-N 327.178 1.869 0 40 EDAB Cc1cccc(CNC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1 583614698 FBIJJHJOPHEWAC-RCCFBDPRSA-N 332.444 1.473 0 40 EDAB Cn1cnnc1[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc32)CCO1 583623943 YYNAIGPYAQVCJD-UKRRQHHQSA-N 327.388 1.238 0 40 EDAB Cc1ccc(OCCC(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)cc1C 583617747 MKIVTEUWYWNZQT-GOSISDBHSA-N 344.415 1.701 0 40 EDAB COc1ccc(CN2C[C@@H]3OCCN(C[C@H]4CCCO4)[C@@H]3C2)cc1 247869316 CJIUMKBXRFPFPD-QRVBRYPASA-N 332.444 1.759 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)CCn2ccnc2)C1 257245970 IRXOTVYPJNCABF-CQSZACIVSA-N 328.420 1.586 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2cc(C)no2)CC1 257236095 HASQZLHFYUXKDO-UHFFFAOYSA-N 343.387 1.429 0 40 EDAB O=C(c1ccncc1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257270615 MUYJBFMLWFVZSQ-FQEVSTJZSA-N 337.423 1.717 0 40 EDAB CN(C)c1cccc([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)n1 257329579 XKOFDTTXKJPKQJ-HNNXBMFYSA-N 344.419 1.119 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2cncnc2)C1 257208812 BNRMTLDDVAJZEE-GOSISDBHSA-N 344.390 1.325 0 40 EDAB Cc1cccc(Cn2[nH]cc/c2=N\C(=O)CN2CCN(C)C[C@H]2C)c1 584906792 RDUULHBQLKLVIT-AXNLMSORSA-N 341.459 1.236 0 40 EDAB COC(=O)C1(S(=O)(=O)N[C@@H](C)Cc2c(C)noc2C)CCC1 585115683 NWSQHZVGCJEUDK-VIFPVBQESA-N 330.406 1.238 0 40 EDAB CCCCNC(=O)Cc1noc(-c2sccc2-n2cnnn2)n1 585133278 CZRVTGVCPRDCGB-UHFFFAOYSA-N 333.377 1.233 0 40 EDAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 575425400 YVUKFJKMGBFINT-CYBMUJFWSA-N 335.422 1.414 0 40 EDAB CN1C[C@H](COc2cccnc2)CC12CN(C(=O)c1ccnnc1)C2 585093933 QGAPJXQBVURYFL-CQSZACIVSA-N 339.399 1.097 0 40 EDAB COCC(=O)N1CCC[C@@H](c2cncc(-c3cnc(C)n3C)n2)C1 585260982 ZXSAJTFJOGAVNY-CYBMUJFWSA-N 329.404 1.538 0 40 EDAB CCCNC(=O)C1=NO[C@@]2(CCCN(Cc3cncc(C)n3)C2)C1 585101277 UMXGJLFCSSCJTI-KRWDZBQOSA-N 331.420 1.422 0 40 EDAB CCCNC(=O)C1=NO[C@]2(CCCN(Cc3cncc(C)n3)C2)C1 585101278 UMXGJLFCSSCJTI-QGZVFWFLSA-N 331.420 1.422 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 48290233 ZLKAOTZYKRQEQD-HNNXBMFYSA-N 336.484 1.854 0 40 EDAB O=C(NC[C@@H]1CCN1C1CCOCC1)Nc1ccc2c(n1)CCC2 931672788 FOONUKZUEBGORF-HNNXBMFYSA-N 330.432 1.945 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@](C)(O)C1CC1 62021787 UQQCHXRWHLUWLZ-HNNXBMFYSA-N 326.780 1.564 0 40 EDAB CCOCCN(Cc1nnnn1-c1ccccc1)C[C@@H](C)C(=O)OC 65479451 OINHWPMRGPYFMU-CQSZACIVSA-N 347.419 1.310 0 40 EDAB O=C(O)[C@@H]1CCCC[C@@H]1CNS(=O)(=O)CCC1CCOCC1 899941660 CASJVAVBKALENL-ZIAGYGMSSA-N 333.450 1.614 0 40 EDAB O=S(=O)(NC1CCN(C[C@H]2CCCOC2)CC1)c1cccs1 95426303 KESIITGGPDPTPR-CYBMUJFWSA-N 344.502 1.917 0 40 EDAB CCCCc1nc(C)cc(N2CCC[C@@H](CNS(N)(=O)=O)C2)n1 96011566 WDFQVWWMGLAVBF-ZDUSSCGKSA-N 341.481 1.137 0 40 EDAB CC1(C2CCN(c3nnnn3[C@H]3CO[C@H](C4CC4)C3)CC2)OCCO1 1616031885 FMFBHLFMZKVHAY-CABCVRRESA-N 349.435 1.393 0 40 EDAB COC(=O)c1sc(N2CC(OC)(c3ccnn3C)C2)nc1Cl 1616038852 QUQVCPAZTLLASF-UHFFFAOYSA-N 342.808 1.679 0 40 EDAB CCS(=O)(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 1616022708 RUJOSYNLLSXVIN-SECBINFHSA-N 325.356 1.746 0 40 EDAB COC1(CO)CCN(c2nnnn2CCc2cccc(F)c2)CC1 1616032499 FCRLKQZVHKPHLQ-UHFFFAOYSA-N 335.383 1.033 0 40 EDAB Cc1cc(O[C@H](C)C(=O)NCCCO)c2c3c(c(=O)oc2c1)CCC3 5321832 XLEILNVAUCMXOD-GFCCVEGCSA-N 345.395 1.856 0 40 EDAB Cc1nonc1CC(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 12366133 VUTSEZXJRNHHCY-AWEZNQCLSA-N 330.388 1.272 0 40 EDAB C[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)N1CCNC1=O 12520725 ICGJAESEWYNPQS-JTQLQIEISA-N 346.318 1.109 0 40 EDAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCCO 16491267 MBXOTFCEDAGTPP-UHFFFAOYSA-N 340.445 1.119 0 40 EDAB Cc1ccnn1[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19238286 ITKMDYGAVAMXGU-CJNGLKHVSA-N 340.431 1.552 0 40 EDAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccccn1)CC2 19401886 ZKMPFNYMFIMWCP-UHFFFAOYSA-N 333.395 1.828 0 40 EDAB Cc1noc(C)c1CC(=O)NCCS(=O)(=O)N1CCCC[C@@H]1C 19580491 XZQDIEJBZJWHIP-NSHDSACASA-N 343.449 1.154 0 40 EDAB CCC(=O)N1CC[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19694728 VBYIAGUEXSMOKE-LBPRGKRZSA-N 326.404 1.726 0 40 EDAB CN(CCCc1ccccc1)C(=O)[C@H]1CN(c2ncccn2)CCO1 19747325 SLEGVEJHFUFHKD-QGZVFWFLSA-N 340.427 1.773 0 40 EDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[C@@H](n2ccnn2)C1 206934879 VLDDZMIZYMQYNE-SECBINFHSA-N 330.772 1.706 0 40 EDAB COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(C)CC1 22999744 BWQLXUSUVUBLIU-UHFFFAOYSA-N 326.462 1.932 0 40 EDAB CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)C1(c2ccccc2)CCCC1 643586257 PVPFTGQRADHNOY-OIISXLGYSA-N 333.428 1.325 0 40 EDAB CCOc1ccc(CC(=O)NC2CN(c3nnc(C)s3)C2)cc1 1888856949 ZPCQPCYOKQUSFX-UHFFFAOYSA-N 332.429 1.793 0 40 EDAB CC(C)S(=O)(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C)C[C@@H]2C1 1888864006 TZPJKRQBYCHYOE-OKILXGFUSA-N 348.472 1.680 0 40 EDAB CN([C@@H]1CCN(c2ncnc3ccccc23)C1)S(=O)(=O)C1CC1 1888865629 FWRFQMOKXIPRQU-GFCCVEGCSA-N 332.429 1.633 0 40 EDAB Cc1nc(N2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)nc(O)c1F 1888867014 ZDKVGAMILCYQDS-OKILXGFUSA-N 342.374 1.838 0 40 EDAB COc1ccc(CNC(=O)NCC2(O)CSCCSC2)cc1 1888876284 HZYZAVPRKMUZOW-UHFFFAOYSA-N 342.486 1.706 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889128702 AYXLSPLJEQHGCH-KOLCDFICSA-N 335.351 1.571 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 29193444 WBKDNCCZSBSFLB-CYBMUJFWSA-N 348.428 1.231 0 40 EDAB Cc1ccc(-n2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)nn2)cc1 33223188 GJPGOFKDNDSFDH-UHFFFAOYSA-N 337.383 1.811 0 40 EDAB COc1ccc2nnc(CNC(=O)Cc3c(F)cccc3Cl)n2n1 245093514 RRPDPQKJFWFAHR-UHFFFAOYSA-N 349.753 1.784 0 40 EDAB CC1CCN([C@H]2CSC3(C2)CN(C(=O)C2=CC=NC(=O)C2)C3)CC1 2056223380 IPBBDKFHBBIKPD-OAHLLOKOSA-N 347.484 1.732 0 40 EDAB O=C(c1cnco1)N1CC2(C[C@H](NCc3cccnc3)CS2)C1 2056224775 VGMAGZTWVJPWDS-ZDUSSCGKSA-N 330.413 1.560 0 40 EDAB CCc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)NCC3CC3)C2)cn1 1565553600 ADTPQHZGOJDAPX-BRWVUGGUSA-N 343.427 1.400 0 40 EDAB Cc1ccc(N[C@@H]2CO[C@@]3(CCN(C(=O)C4(F)CCC4)C3)C2)nn1 1565550960 HVIBFTPFGUUHMT-BBRMVZONSA-N 334.395 1.849 0 40 EDAB COCCCNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342479 JVRCEDQDNQDCNE-UHFFFAOYSA-N 345.399 1.003 0 40 EDAB O=C(NCC1CC1)c1noc2c1C[C@H](NCc1nccs1)CC2 2055739371 TVFRXAYMNZBEPU-LLVKDONJSA-N 332.429 1.918 0 40 EDAB CCCCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055713905 YHWCNZPOFYLLLR-AWEZNQCLSA-N 332.448 1.844 0 40 EDAB CC(C)CCNC(=O)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055713527 ADFHMJIZLAGDTI-CQSZACIVSA-N 332.448 1.748 0 40 EDAB COCCNC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 44035998 DWVBTLKVBAYNIR-UHFFFAOYSA-N 333.310 1.676 0 40 EDAB CC(C)[C@H](Cn1ccnn1)NC(=O)c1cc(-c2cccnc2)on1 575615359 DNZCLROAPYVLIP-AWEZNQCLSA-N 326.360 1.783 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)Cn1nc(C2CC2)ccc1=O 575620368 QAZXDWPGMQKNHR-UHFFFAOYSA-N 342.399 1.619 0 40 EDAB C[C@H]1CN(S(=O)(=O)N(C)CCCOc2ccccc2)C[C@@H](C)O1 40091329 MPJYHPVISQMHFQ-GASCZTMLSA-N 342.461 1.741 0 40 EDAB CC(=O)Nc1nc(C(=O)NCCN2CCc3ccccc3C2)cs1 30634696 JNNSSRRZBWJEES-UHFFFAOYSA-N 344.440 1.890 0 40 EDAB CN(CC(=O)N1CCC(c2nncn2C)CC1)C(=O)c1ccccc1 30855786 WGFYDFBVSYPAQM-UHFFFAOYSA-N 341.415 1.293 0 40 EDAB NC(=O)[C@@H]1CC(C(=O)NCc2ccc(O)cc2)=NN1c1ccccc1 40497908 TXWCCKXHRUZKDF-INIZCTEOSA-N 338.367 1.129 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)o1 31487660 IHJDPIFXAIYNJR-MRVPVSSYSA-N 344.339 1.957 0 40 EDAB C1=C[C@H]2C[C@H]1C[C@@H]2CNCCCN1CCN(c2ncccn2)CC1 101542388 HQVGSQSNTDMNQX-OKZBNKHCSA-N 327.476 1.791 0 40 EDAB CCOC(=O)c1ccc(N2CCN(CC(=O)N[C@H](C)CC)CC2)nc1 29532240 WBJUSGLHMVYQLV-CQSZACIVSA-N 348.447 1.295 0 40 EDAB CC(C)CCN1CCN(CC(=O)Nc2cccc3nonc23)CC1 32578593 LVUKVTXITXYYRE-UHFFFAOYSA-N 331.420 1.825 0 40 EDAB Cc1cc(NC(=O)CN2CCN(Cc3ccc(F)cc3)CC2)no1 29641609 BOBQKPXZCBMVRR-UHFFFAOYSA-N 332.379 1.878 0 40 EDAB C[C@@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)c1ccccn1 29732429 RTDPFFCSGDYGQY-CQSZACIVSA-N 341.415 1.874 0 40 EDAB NC(=O)CCOc1ccccc1NC(=O)NCc1ccccc1CO 69456673 CJATVIMXMNTOJE-UHFFFAOYSA-N 343.383 1.755 0 40 EDAB COC(=O)c1cc(C)sc1NS(=O)(=O)c1cn(C)nc1C 2804318 OTGWXOCMJLBVAJ-UHFFFAOYSA-N 329.403 1.686 0 40 EDAB Cc1ccc(C(=O)NCC(=O)OCc2ccc(C(N)=O)cc2)s1 32837563 BIVPMQKHAOKQQV-UHFFFAOYSA-N 332.381 1.629 0 40 EDAB CC(=O)N1CCCN(C(=O)c2ccc(-c3nc(C)no3)cc2)CC1 32827768 JSRSPEQDPWOUES-UHFFFAOYSA-N 328.372 1.739 0 40 EDAB COc1ccc(NC(=O)Nc2c[nH]nc2C)cc1-n1nnnc1C 102541526 PHQSJHSIANSFIZ-UHFFFAOYSA-N 328.336 1.655 0 40 EDAB O=C(CNS(=O)(=O)c1ccc2c(c1)OCO2)Nc1ccccc1 11999532 OCEDEQSJOONVIU-UHFFFAOYSA-N 334.353 1.332 0 40 EDAB Cc1nnc(CNC(=O)C2(N3CCCCC3)Cc3ccccc3C2)[nH]1 12022856 MMCGUROAXVQKJW-UHFFFAOYSA-N 339.443 1.753 0 40 EDAB CCOC(=O)c1ccc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 103618039 HFONFDOIGODJRZ-UYAYXHRUSA-N 343.335 1.234 0 40 EDAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCN(c3ncccn3)CC1)CC2=O 100755791 RFEDFTJQXZCVPD-OALUTQOASA-N 342.443 1.911 0 40 EDAB Cc1cccc2c(CCNC(=O)N[C@@H]3CCC(=O)N(C)C3)c[nH]c12 76087196 DBTQLTMYSIGNDP-CQSZACIVSA-N 328.416 1.939 0 40 EDAB CCOC(=O)/C(C#N)=C/Nc1cccc(S(=O)(=O)NC2CC2)c1 54319177 OXZATFOEJGZQLH-ZHACJKMWSA-N 335.385 1.510 0 40 EDAB O=c1[nH]nc(SCCN2CCOCC2)n1CCc1ccccc1 23624876 MFAQZUXOKHVVBN-UHFFFAOYSA-N 334.445 1.238 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCCc2cccnc2)C1=O 23875169 DRSHVBJPZRXNRG-AWEZNQCLSA-N 339.395 1.945 0 40 EDAB CN1CCO[C@H](CNC[C@@H](O)c2ccc(Br)cc2)C1 106908559 LCCRUAIGTQBCRT-ZIAGYGMSSA-N 329.238 1.403 0 40 EDAB NC(=O)C1(CNC(=O)Cc2cccc3ccccc23)CCOCC1 47931179 RDONXIBYOJXZTL-UHFFFAOYSA-N 326.396 1.781 0 40 EDAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N2CCCC2)c1=O 57525831 TZAHHBLRCWCZQR-UHFFFAOYSA-N 343.427 1.832 0 40 EDAB C[C@H](C[S@](C)=O)NC(=O)N[C@H](C)c1ccccc1-n1cccn1 108468016 NKPJCXXBJGJOIH-NSCUQIJASA-N 334.445 2.000 0 40 EDAB Cc1csc(N2CCN([C@@H](C)C(=O)Nc3cc(C)on3)CC2)n1 48008665 SFCOIHMZUMJOOM-LBPRGKRZSA-N 335.433 1.897 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)NCc1ccc(F)cc1 57997077 GAGBVRCBXNCDHH-UHFFFAOYSA-N 343.362 1.525 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](C)CN1CCCC1=O 58214540 VJLXWFUCFUIHAE-LLVKDONJSA-N 327.384 1.786 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2F)C1 58265857 IQUUNSABWXVTAD-SNVBAGLBSA-N 348.371 1.864 0 40 EDAB CCOC(=O)C[C@H](NC(=O)N[C@@H](C)C(=O)N(C)C)c1ccccc1 58265229 JVYHJGZQBJXBIO-JSGCOSHPSA-N 335.404 1.457 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@H]1c1ccsc1 44943578 ZEVSKAMXCALYMC-ZDUSSCGKSA-N 333.413 1.729 0 40 EDAB COc1ncccc1CNC(=O)NC[C@@H](O)c1ccc(F)c(F)c1 44955263 GTUPOPNHGOQWLR-CQSZACIVSA-N 337.326 1.901 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN(C(C)C)C2)cc1 58357385 PYVWSLHRKCKDCQ-CYBMUJFWSA-N 339.461 1.055 0 40 EDAB CN1CCO[C@@H](CNC(=O)CCC(=O)c2ccc(F)cc2F)C1 58342981 XKTRDNDMJSKEPR-LBPRGKRZSA-N 326.343 1.375 0 40 EDAB COC(=O)c1cccc(NCC(=O)NCc2ccc3c(c2)OCO3)c1 58330192 LLKATRMNLRUGTA-UHFFFAOYSA-N 342.351 1.930 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)CCN1C(=O)COc2ccccc21 48262866 URZQPGNYZIDJNR-AWEZNQCLSA-N 332.400 1.687 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccccc2Cn2cncn2)C[C@@H](C)O1 28400837 APVSWNDKVLTXAZ-OKILXGFUSA-N 329.404 1.645 0 40 EDAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)N3CC[C@H]4CCCC[C@H]4C3)nc21 28426469 SQHCGBFKPGGPJP-NEPJUHHUSA-N 342.399 1.274 0 40 EDAB CCn1c(=O)n(CC(=O)NCc2ccnc(OC)c2)c2ccccc21 48325035 GXVAUHHFTPXQKW-UHFFFAOYSA-N 340.383 1.543 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1COc2ccccc2C1 45786112 VOXXTJACHJKPFU-AWEZNQCLSA-N 335.363 1.516 0 40 EDAB COc1cccc(C(=O)CN2C(=O)CN(C)C(=O)c3ccccc32)c1 12892572 DFPPJDHDVJAAKC-UHFFFAOYSA-N 338.363 1.997 0 40 EDAB biogenic COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(CC(N)=O)cs1 12888125 HLSFGXJSONIQJY-UHFFFAOYSA-N 347.396 1.563 0 40 EDAB CCOC(=O)NC(=O)COC(=O)c1ccc(OCC)c(OCC)c1 3441766 MUFZDKJDYQZCRM-UHFFFAOYSA-N 339.344 1.914 0 40 EDAB C[C@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)NC(=O)CO2 48765902 KTNUNMXBNUPLSL-LBPRGKRZSA-N 343.387 1.665 0 40 EDAB c1cnn(-c2ccc(CNCc3cnc(N4CCCC4)nc3)cn2)c1 48710735 WJMRTXZSEDZEBP-UHFFFAOYSA-N 335.415 1.947 0 40 EDAB Cn1c(Cl)cnc1CN1CCCN(C(=O)Cn2cccn2)CC1 69655807 XYJHLZZBNGXRFS-UHFFFAOYSA-N 336.827 1.005 0 40 EDAB CC[C@H]1CN(C(=O)CN2CCC[C@H](Cn3nc(C)nc3C)C2)CCO1 69698017 SAYFQRGNGXBWSQ-IRXDYDNUSA-N 349.479 1.244 0 40 EDAB C[C@@H](CNC(=O)c1ccccc1OC(F)F)CN1CCN(C)CC1 69661941 JRILXZXCARLDGO-ZDUSSCGKSA-N 341.402 1.901 0 40 EDAB Cc1c(C(=O)N2CCC(C)CC2)cnn1[C@H]1CCS(=O)(=O)C1 49658002 SRDNYQRNXGCROB-ZDUSSCGKSA-N 325.434 1.423 0 40 EDAB CC(C)c1nc2c(n1C)CCN(CCN1C(=O)NC(C)(C)C1=O)C2 69738535 IUKKFRLLQBKDPO-UHFFFAOYSA-N 333.436 1.232 0 40 EDAB CCNC(=O)c1cccc(NC(=O)CN[C@@](C)(CC(C)C)C(N)=O)c1 69970806 CSDRWAMLSLGQKE-SFHVURJKSA-N 348.447 1.255 0 40 EDAB Cc1csc(N2CCC(C(=O)NCCNc3cnccn3)CC2)n1 65408987 DYYVPUSCHYOMPA-UHFFFAOYSA-N 346.460 1.686 0 40 EDAB CN1CCN(C(=O)NCCNc2cnccn2)[C@H](c2ccccc2)C1 65565415 PNOBHDHXBBWCSJ-INIZCTEOSA-N 340.431 1.587 0 40 EDAB COCCN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCS(=O)(=O)C1 65564345 TZRXVMPOUABFJN-GFCCVEGCSA-N 343.470 1.513 0 40 EDAB Cc1cc(O[C@@H](C)C(=O)NCCCO)c2c(C)c(C)c(=O)oc2c1 5324156 IJXSHCLPXYKMFV-ZDUSSCGKSA-N 333.384 1.984 0 40 EDAB NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1Br 8877170 FUZFLPVOBRPROG-SECBINFHSA-N 333.207 1.088 0 40 EDAB COC(=O)C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1CCN(C)C 6759634 GHZUARIAWIGLHJ-CYBMUJFWSA-N 335.429 1.113 0 40 EDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc2c(s1)CCCC2 19134835 WPOFXJNEKTUXJJ-GHMZBOCLSA-N 345.424 1.912 0 40 EDAB Cc1ccc(OCC(=O)NCCNC(=O)c2cnccn2)cc1C 4985309 YYUUUEKECMJFSW-UHFFFAOYSA-N 328.372 1.018 0 40 EDAB Cc1cnn(C[C@@H]2CN([C@@H](C)C(=O)Nc3nccs3)CCO2)c1 71186514 SWQJJZQSIVARAW-STQMWFEESA-N 335.433 1.376 0 40 EDAB Cc1ccc([C@H](NC(=O)CN2CCNC(=O)C2)c2cccs2)cc1 15479729 WCBMMTUYLWZVIV-SFHVURJKSA-N 343.452 1.694 0 40 EDAB CCc1nc(CN(C)C(=O)[C@H]2CC(=O)N(c3cccc(O)c3)C2)no1 67490553 UTVCVZSKMZMCBM-NSHDSACASA-N 344.371 1.349 0 40 EDAB O=C(NC[C@@H]1CCCN(Cc2c[nH]cn2)C1)c1cccc2c1OCC2 67473458 XKRWLKVNCACWGH-AWEZNQCLSA-N 340.427 1.987 0 40 EDAB CCOC(=O)c1sc(NC(=O)[C@@H]2CCS(=O)(=O)C2)nc1C 15608199 FKYNKRPTDKDKRL-MRVPVSSYSA-N 332.403 1.001 0 40 EDAB CCn1c(SCC(N)=O)nnc1[C@@H](C)NC(=O)c1ccccc1 409125018 MCNOQUIRHUPTBM-SNVBAGLBSA-N 333.417 1.366 0 40 EDAB CC(C)c1noc(CCNC(=O)NC[C@@H]2COc3ccccc3O2)n1 69028770 WQOXEUAUAXCMBI-GFCCVEGCSA-N 346.387 1.875 0 40 EDAB CC1=CC(=C2C(=O)NC(=S)N=C2O)C=C(C)N1CCCN(C)C 16756365 YSVMAHWZCNCBQH-UHFFFAOYSA-N 334.445 1.729 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)C2(S(C)(=O)=O)CCCC2)c1 70039639 RHXBSJVYGBKDNC-AWEZNQCLSA-N 339.461 1.540 0 40 EDAB c1ncn(C[C@@H]2CN(CCCOc3ccc4c(c3)OCO4)CCO2)n1 70018049 JAGXKODJLDGIAC-HNNXBMFYSA-N 346.387 1.177 0 40 EDAB CC(C)(C)[C@@H](NC(=O)CN1CCN(CCO)CC1)c1cccs1 70037082 JUSQSLGPZFSIAS-INIZCTEOSA-N 339.505 1.561 0 40 EDAB C[C@@H]1Oc2ccc([C@@H](C)N)cc2N(CC(=O)NC2CCCC2)C1=O 19768833 NZHWDPPRXJKLNA-NEPJUHHUSA-N 331.416 1.879 0 40 EDAB O=C(c1cc2ccccc2s1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 71764697 UDSYYRMUUMGKSL-KBPBESRZSA-N 332.425 1.419 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1ccc3c(c1)OCO3)C2 71860244 FECKMKMBWJUKJE-UHFFFAOYSA-N 326.356 1.836 0 40 EDAB COC(=O)N[C@@H](C(=O)NCc1cc(F)cc2c1OCOC2)C(C)C 71888067 VOSXRANTIBNHSC-CYBMUJFWSA-N 340.351 1.689 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2csc(C)n2)C(N)=O)cc1 71841584 FYWHMRMSKZHEAM-CYBMUJFWSA-N 347.440 1.924 0 40 EDAB C[C@@H](NC(=O)N1CCC[C@H](CO)C1)C(=O)N1CCc2ccccc21 71855136 LQAFOIOMPSEBKL-KGLIPLIRSA-N 331.416 1.378 0 40 EDAB C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)CN1CSCC1=O 71894296 MYTWCCIFYZBEJA-IIYDPXPESA-N 334.441 1.896 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cccn1)NCCOc1cccc(F)c1 71875685 PQOUTULYDSTIPG-INIZCTEOSA-N 346.406 1.682 0 40 EDAB O=C(Nc1ccc(I)cn1)[C@@H]1COCCO1 72295125 XTRBRRTUARWPQA-QMMMGPOBSA-N 334.113 1.040 0 40 EDAB O=C(Nc1cccnc1)C(=O)NC1CCN(c2cccc(F)c2)CC1 72292103 JNDJCAXIVFYDKQ-UHFFFAOYSA-N 342.374 1.944 0 40 EDAB C[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)[C@H](C)n1cccn1 72269707 DLNDDCFWDPAGNS-IHRRRGAJSA-N 333.388 1.591 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)no1 72231934 RUUCIHLUGCVDFH-GFCCVEGCSA-N 326.360 1.529 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)[C@@H]1CCCN(c2nccs2)C1 72240555 RLOPEMBERRVDPE-OLZOCXBDSA-N 331.445 1.687 0 40 EDAB C[C@H](NC(=O)Cn1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1=O)C1CC1 95351241 BTWISZZWWGDWPR-STQMWFEESA-N 345.443 1.634 0 40 EDAB O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCCC2(C1)OCCO2 95443529 GFGXHWIZJAOUTA-GFCCVEGCSA-N 336.354 1.626 0 40 EDAB O=C(Cc1ccc2c(c1)CCO2)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 73301173 UCVPIBOLFDAWQC-OAHLLOKOSA-N 335.425 1.342 0 40 EDAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OC 408588529 BSMXMIRCCSAPHS-QVIVLVACSA-N 348.355 1.850 0 40 EDAB CC[C@H](C)[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C#N)cc1F 547596549 BDWWSFVNGOFIOJ-ZANVPECISA-N 328.365 1.817 0 40 EDAB Cc1ccc(C)c(C2CCN(C(=O)Cn3ncn(C)c3=O)CC2)c1 1551160123 DDFWRWQCUVDYGK-UHFFFAOYSA-N 328.416 1.605 0 40 EDAB C[C@H](Oc1ccc(S(N)(=O)=O)cc1)C(=O)NC1CCCCC1 38556530 IIHDTYATYZBSTK-NSHDSACASA-N 326.418 1.550 0 40 EDAB Cc1nc(-c2cccc(NC(=O)CN(C)S(C)(=O)=O)c2)cs1 120903208 XBIYGCHBNVKRJB-UHFFFAOYSA-N 339.442 1.948 0 40 EDAB COC(=O)c1cccc(CN2C(=O)c3ccccc3CS2(=O)=O)c1 78395014 ZARUHLGGTGJIKT-UHFFFAOYSA-N 345.376 1.959 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1 1565523742 ZTJZUGNPDWBCAF-MRXNPFEDSA-N 332.400 1.410 0 40 EDAB COc1cc(C(=O)O)cc(OC)c1OCC(=O)NCc1ccco1 217731197 GCVOLKYWLAMVQQ-UHFFFAOYSA-N 335.312 1.690 0 40 EDAB Cc1cnn(CCC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 78997648 XUVIWZKKRGICNG-CQSZACIVSA-N 330.363 1.642 0 40 EDAB CN(CC(F)F)C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 78441084 UTXPCXGZBQILOL-UHFFFAOYSA-N 341.405 1.405 0 40 EDAB NS(=O)(=O)c1cnc(N2CCCC[C@H](N3CCCC3)C2)s1 71886583 PWARZEZUANUVQM-NSHDSACASA-N 330.479 1.245 0 40 EDAB Cc1nc(-c2ccncc2)nc(NC[C@H]2CN(C)CCN2C)c1C 71904588 SSTHGGHRWUEUPU-INIZCTEOSA-N 326.448 1.813 0 40 EDAB CC1(C)Oc2cc(S(=O)(=O)NCc3cccnc3)ccc2NC1=O 46088707 JEMNNWXPOCORIJ-UHFFFAOYSA-N 347.396 1.670 0 40 EDAB CCCCNC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 44787008 GAVCSBMIPYVJBN-CQSZACIVSA-N 326.418 1.520 0 40 EDAB O=S(=O)(CCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NCC1CCC1 195550678 ASZCMDJTCYVPGU-XHSDSOJGSA-N 342.505 1.643 0 40 EDAB CCc1cc(NC(=O)N2CCC(C)(C)S(=O)(=O)CC2)n(C)n1 194745625 AMPGPTAGWWVZNK-UHFFFAOYSA-N 328.438 1.414 0 40 EDAB COc1ccnc(CNC(=O)N2CCOC[C@H]2c2ccc(F)cc2)n1 575603897 SBZLLIWTUDASHV-AWEZNQCLSA-N 346.362 1.907 0 40 EDAB CC1(C)C[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)CCO1 85877748 PKEXSHISRBTSKO-BXUZGUMPSA-N 345.399 1.201 0 40 EDAB biogenic C[C@H](NS(=O)(=O)N(C)C)c1noc(-c2ccc(Cl)cc2)n1 80279529 CRMBRCNULQLJRN-QMMMGPOBSA-N 330.797 1.847 0 40 EDAB CC(=O)Nc1cccc(-n2cnnc2S[C@H]2CCCCNC2=O)c1 46585363 QQEHTOOKEBNWBC-AWEZNQCLSA-N 345.428 1.987 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC[C@@H](O)c2ccccc2)C1 195544909 AKMRXYSPWSLYTR-IIAWOOMASA-N 326.462 1.922 0 40 EDAB O=C(Cn1cc(COc2ccc(F)cc2)nn1)NC[C@@H]1CCCO1 227160722 DMVXIGUYRNGVGU-HNNXBMFYSA-N 334.351 1.291 0 40 EDAB COc1ncccc1CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 96064386 ONFQWJSAOARTRG-IKGGRYGDSA-N 342.447 1.277 0 40 EDAB CC(C)N1CCCn2c(nc(CNC(=O)c3ccsc3)cc2=O)C1 96197661 BLTJEPGVMYEZPJ-UHFFFAOYSA-N 346.456 1.849 0 40 EDAB Cc1c(C(=O)NCC(C)(C)S(C)(=O)=O)cnn1C1CCCC1 96486533 FRPJFHZERNRYKV-UHFFFAOYSA-N 327.450 1.860 0 40 EDAB Cn1cc(CN2C[C@@H](OCc3ccccn3)[C@@H]3OCCC[C@@H]32)cn1 96058147 AIMWBHLDJPWFLG-RCCFBDPRSA-N 328.416 1.764 0 40 EDAB CCOC(=O)c1c(O)c2c([nH]c1=O)CCN(Cc1ccccc1)C2 95097361 AOPZUVKTSAPPPC-UHFFFAOYSA-N 328.368 1.816 0 40 EDAB O=C(Cc1ccccn1)N1CCN(c2ncnc3sccc23)CC1 95433667 MDIHLZYQRWOCOW-UHFFFAOYSA-N 339.424 1.978 0 40 EDAB CC1CCN(C[C@@H](O)CN(C)S(=O)(=O)c2cccs2)CC1 95438723 YRBPDCMKBSPIKR-ZDUSSCGKSA-N 332.491 1.461 0 40 EDAB c1ccc(OCc2nnc3n2CCN(Cc2cccnc2)CC3)nc1 96058882 ZDUJXIQTVNXSPU-UHFFFAOYSA-N 336.399 1.705 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)N3CCO[C@H](C)C3)C2)c1 96403175 UGSWJQSZPMNVNA-HUUCEWRRSA-N 333.432 1.952 0 40 EDAB COc1csc(C(=O)NCCCn2nc3ccccn3c2=O)c1 96446261 TXOURUZEVJWQEW-UHFFFAOYSA-N 332.385 1.386 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cccc(O)c1 330033245 YGSSIMGUCWNMTN-UHFFFAOYSA-N 341.410 1.905 0 40 EDAB C[C@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cscn1)CC2 96201578 ABOGTZABNAVEHB-GFCCVEGCSA-N 349.456 1.775 0 40 EDAB O=C(c1ccncn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 96041697 SFDJECDYDGIPLA-ARFHVFGLSA-N 326.356 1.323 0 40 EDAB O=C(NCc1cccnc1)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccco1 96252444 JBNDFTOCVAHZPJ-GASCZTMLSA-N 340.383 1.873 0 40 EDAB CCc1cnc(N2CCOC[C@@]3(CC[C@H](Cn4cncn4)O3)C2)nc1 96063437 HVKFPYMBUBRYDF-NVXWUHKLSA-N 344.419 1.085 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@]2(N)C(=O)O)cc1 242649286 RZYWPJMBWLNCHT-BFYDXBDKSA-N 349.383 1.856 0 40 EDAB COCC(=O)NCC[C@H]1CN(Cc2scnc2C)Cc2ccnn21 248011138 GJBIDHDSDIBSJP-ZDUSSCGKSA-N 349.460 1.358 0 40 EDAB CCN1CCN(CC(=O)N2CCC(Cc3ccnc(C)c3)CC2)CC1 257297857 RJBOMDZINCLCMC-UHFFFAOYSA-N 344.503 1.809 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2ccncc2)n1 257221409 DOYIZJSUTKZLFE-MRXNPFEDSA-N 325.372 1.485 0 40 EDAB CCN(CC)C(=O)CN1CCC[C@H](c2ccc3c(N)nn(C)c3n2)C1 257280207 OJYFGCGNEHWABN-ZDUSSCGKSA-N 344.463 1.598 0 40 EDAB CNc1cc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)ccn1 257307812 TUFQQJCFWHIJDL-AWEZNQCLSA-N 326.400 1.842 0 40 EDAB CC(=O)N1CC[C@@H]2[C@@H](CCCCN2C(=O)CCCn2ccnc2)C1 257294450 QUFIHFWYEJUBBA-DLBZAZTESA-N 332.448 1.913 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCOC[C@H](Cc2cncnc2)C1 257342206 ZNNXPULSKLJTIG-MRXNPFEDSA-N 329.375 1.876 0 40 EDAB Cc1cc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)nc(C)n1 257303786 SISNLFOYFLVJPT-MRXNPFEDSA-N 329.404 1.670 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](c3ccnc(N(C)C)c3)C2)nc(O)n1 257251349 JQJOWEZVSRJMSH-CQSZACIVSA-N 341.415 1.971 0 40 EDAB Cc1ccn(CCC(=O)N2CCC[C@@H](Cc3nccnc3N)C2)n1 257323430 WKCWXLMBJNDHAG-AWEZNQCLSA-N 328.420 1.435 0 40 EDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2ccnc(C)n2)n1 257314255 UWAYQPUJNGWGPQ-MRXNPFEDSA-N 340.387 1.188 0 40 EDAB COc1ccccc1[C@@H]1CNCCN1C(=O)CCCn1ccnc1 257238391 HKTXTRHJNGFSLH-INIZCTEOSA-N 328.416 1.845 0 40 EDAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCCN(C(=O)CN)C2)n1 257245140 IOFNAICUYDQDTO-GFCCVEGCSA-N 346.460 1.958 0 40 EDAB O=C1CO[C@H]2CN(CCc3ccccc3)C[C@@H]2N1C1CCOCC1 257343598 ZTQGZRBVBIMNRV-ROUUACIJSA-N 330.428 1.320 0 40 EDAB COCc1c(C(=O)N2CCO[C@@H](c3nc(C)cc(C)n3)C2)noc1C 257261268 LGMBVAMLCICMJG-CQSZACIVSA-N 346.387 1.750 0 40 EDAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@H]1CCc2[nH]nnc2C1 252500880 TXNWWJSFMQBXNN-ZDUSSCGKSA-N 344.415 1.976 0 40 EDAB O=C(N[C@H](C(=O)O)[C@@H]1CCCOC1)c1csc([C@H]2CCCO2)n1 262853109 UKAWDOGPCSIRGH-JLLWLGSASA-N 340.401 1.604 0 40 EDAB CC1(CNC(=O)Nc2ccnc(O[C@H]3CCOC3)c2)CCNCC1 1614365469 FNCJUTUOCDKUKY-AWEZNQCLSA-N 334.420 1.761 0 40 EDAB CNc1nc(C)ccc1C(=O)N1CC2(CCOCC2)CC[C@@H]1CO 1615550146 WFNMXKPXQAIUEU-CQSZACIVSA-N 333.432 1.825 0 40 EDAB CC(C)(C)n1nnnc1SC[C@H]1CCCN(S(C)(=O)=O)C1 390834028 QMPFHJHWZGSIGL-JTQLQIEISA-N 333.483 1.192 0 40 EDAB COC(=O)c1c(F)cccc1NS(=O)(=O)C[C@@H](OC)C1CC1 585140460 FMCYOWDNGDCZAH-GFCCVEGCSA-N 331.365 1.779 0 40 EDAB Cc1ncc(C(=O)N2CCn3c(COCC4CC4)nnc3[C@H]2C)[nH]1 585097130 HQSVIVAQGMJVSE-SNVBAGLBSA-N 330.392 1.453 0 40 EDAB O[C@H]1CCN(C2CCOCC2)C[C@]1(O)COc1ccc(F)c(F)c1 585285185 CQUMVRPENIUMFS-IRXDYDNUSA-N 343.370 1.320 0 40 EDAB O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(Cn2ccnc2)C1 585288929 AVKJZJCWLYWSEP-WBVHZDCISA-N 349.818 1.104 0 40 EDAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NC(=O)Nc3ccccc3)[C@H]3CO[C@@H]2O3)c1 952844674 FUNYWRPTJNREPV-DGXTUMSLSA-N 344.371 1.039 0 40 EDAB biogenic,in-vitro Cc1nc(CN2CCN(CC(=O)N(C)Cc3cccs3)CC2)no1 78972659 AHRAJLIYDHPABT-UHFFFAOYSA-N 349.460 1.216 0 40 EDAB O=C1CCCN1CC[C@@H]1CN(C(=O)[C@H]2CCCN2)c2ccccc21 81644896 WURWLSAOCPMTDM-GDBMZVCRSA-N 327.428 1.881 0 40 EDAB Cc1nc(C(C)(C)NS(=O)(=O)c2ccsc2C(=O)O)no1 567798703 UFGNBNGVHHNDCW-UHFFFAOYSA-N 331.375 1.351 0 40 EDAB COc1ccccc1NC(=O)CN1CCC[C@H](NC(=O)C2CC2)C1 1006513654 DHDJCMOAWNJCSL-AWEZNQCLSA-N 331.416 1.624 0 40 EDAB Cc1ccc([S@](C)(=O)=NC(=O)[C@@H]2CCc3nnn(C)c3C2)cc1 1616038897 XDLAPVSXFJSVIF-SPSFWMDKSA-N 332.429 1.912 0 40 EDAB COc1ccc2c(CC(=O)N3CCO[C@]4(CCNC4)C3)coc2c1 1616036733 WIOIHBGOLIQWCE-SFHVURJKSA-N 330.384 1.575 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)n[nH]2)cc1 5588453 FXWHESSNXFKVAP-AWEZNQCLSA-N 348.428 1.818 0 40 EDAB COc1cc2c(c([C@]3(O)C(=O)N(C)c4ccccc43)c1OC)OCO2 5766472 QDFZIRSAHZISLW-SFHVURJKSA-N 343.335 1.645 0 40 EDAB CN(Cc1nc(N(C)C)ncc1-c1ccncc1)C(=O)[C@@H]1CCCO1 12222367 VQUXEBXSYLZAQQ-INIZCTEOSA-N 341.415 1.742 0 40 EDAB CC1(C)NC(=O)N(CCC(=O)Nc2ccc(OC(F)F)cc2)C1=O 12797803 MCZVXTJGKPGGLV-UHFFFAOYSA-N 341.314 1.947 0 40 EDAB CC(=O)c1ccc(C(=O)NCCCc2c(C)nc(N)[nH]c2=O)cc1 17025434 FMUGASNXYCXPJY-UHFFFAOYSA-N 328.372 1.226 0 40 EDAB C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(Sc2ncccn2)o1 19575266 MVIJQFAVAILYQB-HZSPNIEDSA-N 346.456 1.860 0 40 EDAB NC(=O)CSc1nc2ccccc2n1CC(=O)NC1CCCC1 4859100 QXQVKPZMKLTHJZ-UHFFFAOYSA-N 332.429 1.673 0 40 EDAB CS(=O)(=O)CC1(CC(=O)N2CCc3ccccc3[C@H]2CO)CC1 548134570 CAXGMQUCTLISIO-OAHLLOKOSA-N 337.441 1.320 0 40 EDAB CN([C@H]1CCN(c2ncnc3ncccc23)C1)S(=O)(=O)C1CC1 1888856976 DOMLFRFOIFBSLL-NSHDSACASA-N 333.417 1.028 0 40 EDAB COc1cc(N2CCN(c3ncnc4sccc34)CC2=O)ccn1 1888897150 PXNLAWICASSGQC-UHFFFAOYSA-N 341.396 1.948 0 40 EDAB O=CN1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 10284917 FAGSXYKWLRHKPQ-UHFFFAOYSA-N 347.234 1.053 0 40 EDAB CN1Cc2nccn2C[C@]12CCN(C(=O)c1cc(C3CC3)on1)C2 1614936880 HCPDAGLRIBQBFH-KRWDZBQOSA-N 327.388 1.479 0 40 EDAB CN(C)CCN1C(=O)CCC12CCN(C(=O)CCc1ccc[nH]1)CC2 1565546832 FGKBJISZSYRHDC-UHFFFAOYSA-N 346.475 1.493 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(CCN(c3ccccc3)C2=O)C1 1565552613 PKEDBHMWHRFRHS-NHAYFPRASA-N 340.423 1.925 0 40 EDAB O=c1c2cnn(CCO)c2ncn1Cc1ccc(C(F)(F)F)cc1 4940567 ZTFLMJFNORWAAJ-UHFFFAOYSA-N 338.289 1.652 0 40 EDAB COCCNC(=O)Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C 12230590 QGKAPABPFFKCOC-UHFFFAOYSA-N 348.374 1.637 0 40 EDAB Cc1cc(NC[C@@H](c2ccco2)N2CCOCC2)n2ncnc2n1 1775972579 LOXIOEJHHFNTMM-ZDUSSCGKSA-N 328.376 1.511 0 40 EDAB COC(=O)N1CCC(CNS(=O)(=O)c2c(F)cccc2F)CC1 43956790 WJTVMXUNVQFFCK-UHFFFAOYSA-N 348.371 1.722 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)c2cccc(Cl)c2)CC1 43979642 OQEPQLPNJKCXNM-UHFFFAOYSA-N 330.837 1.741 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NC[C@@](C)(O)Cc1ccco1 206618789 ZJYZAWWCWVOLPG-HNNXBMFYSA-N 343.376 1.699 0 40 EDAB COc1ccc(-c2nc(CNC(=O)Cc3cnn(C)c3)no2)cc1 96407848 DVCLHIZUKNCRAE-UHFFFAOYSA-N 327.344 1.338 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CCO1 40051324 QGVBLEXFWVDETG-SECBINFHSA-N 325.308 1.995 0 40 EDAB NC(=O)[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCCCC2)CCO1 50810315 NEMFULDJWLAMTQ-OAHLLOKOSA-N 334.391 1.740 0 40 EDAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cnns1 40554689 NYAJGEUGWPXOLV-UHFFFAOYSA-N 348.384 1.414 0 40 EDAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(=O)[nH]n1 40510919 HUNIUORTBJKFBW-HNNXBMFYSA-N 349.394 1.822 0 40 EDAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCCN1CCOCC1 69414746 APCCJUUHKYQMKE-GFCCVEGCSA-N 346.349 1.921 0 40 EDAB Cc1cc(C)n(CCCNC(=O)[C@H]2CCCN(c3cnccn3)C2)n1 29779449 LJINXJOHXZDPLA-INIZCTEOSA-N 342.447 1.713 0 40 EDAB Cc1ccc(C)c([C@H]2CN(CCCS(N)(=O)=O)[C@H](C)CO2)c1 75837101 RPZOSPHGNMRGDR-GDBMZVCRSA-N 326.462 1.744 0 40 EDAB CC(=O)N(C)CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 46320504 DSDMZQFNMGAEJL-UHFFFAOYSA-N 337.851 1.899 0 40 EDAB CCn1ccnc1CN1CCN(Cc2nnc(C3CC3)n2C)C[C@@H]1C 69493498 NYQDJBWXKRRBJY-AWEZNQCLSA-N 343.479 1.615 0 40 EDAB Cn1ccnc1CN(C(=O)CNC(=O)OCc1ccccc1)C1CC1 69417554 SPKBWSTZTLYMKP-UHFFFAOYSA-N 342.399 1.838 0 40 EDAB CC(=O)c1cccc(NC(=O)Cn2nc(O)c3ccccc3c2=O)c1 2644641 PREXEFWDXPPWHT-UHFFFAOYSA-N 337.335 1.943 0 40 EDAB CCOC(=O)c1cnn(-c2nc(OC)cc(OC)n2)c1C(F)(F)F 385027 GXOMQQCMUBMHTR-UHFFFAOYSA-N 346.265 1.875 0 40 EDAB C[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@@H]1N1CCOCC1 76056900 IEFKDOOOAFXCNZ-QAPCUYQASA-N 342.443 1.606 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(CC(=O)Nc3cc(C)no3)CCO2)n1 76049449 KOWRDKMPQUKWGD-NSHDSACASA-N 334.380 1.066 0 40 EDAB CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCO)CC(=O)N21 2087569 STTQPWGUEOUBMQ-HNNXBMFYSA-N 341.411 1.381 0 40 EDAB biogenic COCCNC(=O)CSc1nc2ccccc2c2nc(C)nn12 2969124 AHVZDKCCWJUJSH-UHFFFAOYSA-N 331.401 1.441 0 40 EDAB O[C@H](COCc1ccccc1)CN1CCC[C@H](Cn2cncn2)C1 69810491 FFGWUXWWOBRFSZ-ROUUACIJSA-N 330.432 1.568 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2cccnc2)cc1 6044422 FRDIQNUFZJNVOG-CYBMUJFWSA-N 333.413 1.373 0 40 EDAB O=C(CN[C@H]1CCCN(c2cccnn2)C1)N1CCc2ccccc21 69878107 FOJALVSAOBAKNH-INIZCTEOSA-N 337.427 1.624 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCOC3)CC2=O)cc1OC 41367292 JJPDQDPKGGVELN-OLZOCXBDSA-N 348.399 1.209 0 40 EDAB Cc1cccc(N[C@H]2SC(=O)N(CCN3C(=O)CCC3=O)C2=O)c1 10152155 CQXREUZWCXBOKY-AWEZNQCLSA-N 347.396 1.577 0 40 EDAB CCOc1cc([C@H]2c3c(C)nnc(O)c3Nc3nnnn32)ccc1O 10298542 KQNXTOPIGUCMKT-ZDUSSCGKSA-N 341.331 1.276 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)nn12 8394465 ASTQQJXQOZDFNY-WCFLWFBJSA-N 345.403 1.530 0 40 EDAB COC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 22617377 SNCZPKXUVPZCFU-OAHLLOKOSA-N 341.367 1.691 0 40 EDAB CC(C)N1C(=O)C[C@H](NC(=O)CCc2ccc3[nH]ccc3c2)C1=O 104360834 OQYWRNCOTZYNRS-HNNXBMFYSA-N 327.384 1.753 0 40 EDAB Cc1cccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)c1 889102 QRVJNCUFTUKAAQ-UHFFFAOYSA-N 333.413 1.472 0 40 EDAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)cc1 100187754 DGUPNGRGMKZIAX-YRBFXIGRSA-N 329.352 1.281 0 40 EDAB CCn1cc(C(=O)NCc2c(Br)cnn2CC)cn1 2804974 GDMGNWPAXVBABZ-UHFFFAOYSA-N 326.198 1.812 0 40 EDAB O=[S@](Cc1nc(-c2ccc(F)cc2)no1)Cc1nnnn1C1CC1 105678908 BEVQTUYAOLXCTF-XMMPIXPASA-N 348.363 1.646 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 47028444 LCUXQPGGDDVSMX-KGLIPLIRSA-N 329.408 1.030 0 40 EDAB O=C(Nc1nc[nH]n1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 12321813 RDZVWUSUWCHMKN-QMMMGPOBSA-N 339.277 1.815 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2cc(C)no2)c1 47266164 GTFKWZCPKWCYJB-AWEZNQCLSA-N 349.412 1.868 0 40 EDAB CCOC(=O)N1CCN(C2=CC(=O)N(c3ccccc3)C2=O)CC1 1442092 IRFIEEYUBGWXNL-UHFFFAOYSA-N 329.356 1.218 0 40 EDAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2CC(=O)Nc1nccs1 100128246 CBSZAHLHKCOHPE-RYUDHWBXSA-N 347.444 1.330 0 40 EDAB C[C@@H](NC(=S)NCCCN1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2 102664017 RCRSUUKSJLBIGR-FXUDXRNXSA-N 325.522 1.998 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2F)n(C)c1 25449581 GQMFOZHSZORABM-JTQLQIEISA-N 339.392 1.563 0 40 EDAB O=C(NCC[S@@](=O)c1ccccc1F)N[C@@H]1C[C@H]2CC[C@H]1O2 108105926 WFUMXGQYOLIJEA-JVRQGXOZSA-N 326.393 1.552 0 40 EDAB O=C1NC2=C(C(=O)N(CCN3CCCCC3)C2)[C@H](c2cccs2)N1 57531463 YAUCBNPWTQNBHD-HNNXBMFYSA-N 346.456 1.684 0 40 EDAB O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCS(=O)(=O)CC1 72294072 RGNGDJRFSQJQHM-CHWSQXEVSA-N 328.821 1.636 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)NC3CC3)ccc12 3248642 STYWBPZXVZYZGE-UHFFFAOYSA-N 331.324 1.302 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)NCCCOC[C@@H]1CCCO1 44606164 JROIFVRCGPKPGI-HNNXBMFYSA-N 345.399 1.098 0 40 EDAB COCCNC(=O)CN(C)Cc1nn(-c2ccccc2)c2c1CCC2 58192343 LOOKHFHNUFISPV-UHFFFAOYSA-N 342.443 1.555 0 40 EDAB CC(C)n1nccc1NC(=O)CN1CCN(c2ncccn2)CC1 44875214 BUDQCZKQGKIIMS-UHFFFAOYSA-N 329.408 1.015 0 40 EDAB O=C(Cc1ccccc1)NCCNS(=O)(=O)c1ccc(F)cc1 58265618 ZNPYISXEUVIKNY-UHFFFAOYSA-N 336.388 1.463 0 40 EDAB C[C@H]1CN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)C[C@H](C)O1 58222892 HTGQAVIXNDITFI-STQMWFEESA-N 329.400 1.924 0 40 EDAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)C1 58295103 IETMSMVQPCVROL-KPZWWZAWSA-N 347.390 1.851 0 40 EDAB CC(C)(CNC(=O)CNC(=O)c1ccoc1)c1ccc2c(c1)OCO2 58228637 OYRMQVTUZWZBLN-UHFFFAOYSA-N 344.367 1.832 0 40 EDAB COc1ccc2cc(C(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)[nH]c2c1 72269609 UCCQTPYUHKMKLQ-ROUUACIJSA-N 343.427 1.848 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 44916432 BYAVOYAMAQAKSH-UONOGXRCSA-N 327.384 1.771 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)CCn1c(=O)n(C)c2ccccc21 44919454 DWHDJNVDJXOGMH-ZDUSSCGKSA-N 346.431 1.007 0 40 EDAB Cc1ccc(NC(=O)C2CCN(CC(=O)N[C@@H](C)C3CC3)CC2)nc1 58324861 KUBLQIGKTLSPCM-AWEZNQCLSA-N 344.459 1.955 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)N1 45037627 COKNZENSHCWOPA-ZJUUUORDSA-N 347.337 1.556 0 40 EDAB O=C(NCCN1CCCCCC1=O)Nc1cccnc1-n1cccn1 48196225 NEXMRZVBGVFJFK-UHFFFAOYSA-N 342.403 1.791 0 40 EDAB COC(=O)CNC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C 36350733 VNBCDSGFCPKRRU-CYBMUJFWSA-N 326.780 1.384 0 40 EDAB CCOc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)N1CCCC1 408699283 VZIRWSRNGWRQCQ-UHFFFAOYSA-N 338.429 1.762 0 40 EDAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](C)NC(C)=O)CC3 58703515 ZLOLXISSDGEASO-JTQLQIEISA-N 343.383 1.364 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(CC3CCOCC3)C[C@H]12)c1cccnc1 306138410 RWYWVMVWMIEKCH-RCCFBDPRSA-N 345.443 1.185 0 40 EDAB C[C@H]1CN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCO1 48275359 YQHHKWUSKDTGNI-LBPRGKRZSA-N 325.372 1.330 0 40 EDAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NCc1ccco1 11460132 CQIKVWZWABCDJH-LLVKDONJSA-N 340.335 1.983 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1cc(-c2cccnc2)on1 48311524 WGGVLQKGQIUDRV-UHFFFAOYSA-N 334.339 1.752 0 40 EDAB C[C@H](CN1CCOCC1)N1CCN(Cc2nccn2C(F)F)CC1 91623586 NVNZBCNVVASWBU-CQSZACIVSA-N 343.422 1.117 0 40 EDAB COC(=O)CN(Cc1cnn(C)c1)S(=O)(=O)/C=C/c1ccccc1 69629185 XERKDNIAAMERIF-CMDGGOBGSA-N 349.412 1.396 0 40 EDAB CO[C@H]1CCCN(C(=O)NCCNC(=O)Cc2ccc(F)cc2)C1 69699700 SIAYSALAFKULFF-HNNXBMFYSA-N 337.395 1.305 0 40 EDAB C[C@H]1C[C@@H]1COC(=O)c1sccc1S(=O)(=O)N1CCOCC1 63246236 BDWFSNLZQZRXBF-WDEREUQCSA-N 345.442 1.582 0 40 EDAB Cc1ccnc(NC(=O)CN(C)C(=O)CCNC(=O)C(C)(C)C)c1 69779468 XZOFUTATQAUHPM-UHFFFAOYSA-N 334.420 1.339 0 40 EDAB COc1ccc(Cl)cc1NCC(=O)N[C@@H](C)CN1CCOCC1 63863261 CIXPRFOEQFOXSM-LBPRGKRZSA-N 341.839 1.597 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(=O)O 49549454 HMARZUXPCKWLQH-BMIGLBTASA-N 349.412 1.587 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2cccnc2)NC(=S)N[C@]1(O)C(F)(F)F 4140103 RSLVVUUOPBHYPT-YGOYTEALSA-N 349.334 1.031 0 40 EDAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCC(O)CC3)cc2O1 8764218 VSCGNTMWMFAWIK-UHFFFAOYSA-N 349.383 1.498 0 40 EDAB biogenic CCCCN(CC(N)=O)C(=O)/C=C/c1cnn(-c2ccccc2)n1 49743679 BAOXTZAFPWWKOY-MDZDMXLPSA-N 327.388 1.395 0 40 EDAB O=C(Nc1nnc(C(F)(F)F)[nH]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 65437240 INVXSLVPZCSBQM-BYPYZUCNSA-N 345.203 1.173 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](CO)Cc1ccc(F)cc1 65476960 UOPRFFYPABWYON-HNNXBMFYSA-N 334.439 1.874 0 40 EDAB CCOCCO[C@H](C)C(=O)N1CCN(C(=O)c2ccc(C)o2)CC1 65588246 OXWIJAWCIVOSCH-CQSZACIVSA-N 338.404 1.314 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)C1 65538396 WAYWYYAPYNFSAE-RNOHYWCBSA-N 341.411 1.316 0 40 EDAB Cc1sc(NCc2ccco2)nc1-c1c(N)n(C)c(=O)n(C)c1=O 14197499 SGJJABXABREGPO-UHFFFAOYSA-N 347.400 1.303 0 40 EDAB COc1ccc(C)cc1[C@H](O)CS(=O)(=O)Cc1cc(C)on1 65651655 VLQVVHAVKLSDGO-CQSZACIVSA-N 325.386 1.948 0 40 EDAB CC(=O)N[C@H](C(=O)O[C@H](C)c1nc2ccccc2c(=O)[nH]1)C(C)C 6505073 SRPQNPXKRCZZQJ-YGRLFVJLSA-N 331.372 1.688 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccs1)c(=O)n2C 6599563 UYXJULDAHOPNIW-UHFFFAOYSA-N 332.385 1.312 0 40 EDAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 92760261 VNGSFSRGXFDAQC-NWDGAFQWSA-N 326.422 1.060 0 40 EDAB Cc1nn(-c2ccccc2)c(N)c1[C@@]1(O)C(=O)N(C)c2ccccc21 5783222 VNNULWYMILRVOZ-LJQANCHMSA-N 334.379 1.975 0 40 EDAB COc1ccc(CCNC[C@H](O)COC[C@H]2CCCO2)cc1OC 6937421 RYALUNFXALENPN-JKSUJKDBSA-N 339.432 1.392 0 40 EDAB C[C@@H](C(=O)N1CCCCC1)N1CCN(Cc2ccc(CO)o2)CC1 93087175 VEFNXYXRWGQYPI-HNNXBMFYSA-N 335.448 1.291 0 40 EDAB O=C(COC(=O)c1cc(Br)c[nH]1)NCc1ccco1 8184433 GFECAEHJTLIXOG-UHFFFAOYSA-N 327.134 1.843 0 40 EDAB Nc1nnc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)s1 8293651 NYKXOBUJZTVZOG-LLVKDONJSA-N 336.442 1.813 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N(C1=CCCCC1)C1CC1)CC2 70015936 JSLXGQLODDPBEJ-CQSZACIVSA-N 329.448 1.940 0 40 EDAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)nc1 69347896 JUTXYDOXEFMJEL-UHFFFAOYSA-N 338.389 1.254 0 40 EDAB O=S(=O)(NCCn1ccnc1)c1cc(Cl)cc2c1OCC2 96009864 CQFOWANTJRGYGT-UHFFFAOYSA-N 327.793 1.450 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)[C@H]1Oc3ccccc3O[C@H]1C)C2 71864891 ULJSMXZZAIJUAA-LRDDRELGSA-N 342.399 1.972 0 40 EDAB COc1cc(CNCc2ccc(OCC(N)=O)cc2)cc2c1OCO2 71837056 SLPWBYKCCQJUSD-UHFFFAOYSA-N 344.367 1.578 0 40 EDAB Cc1nn(C)c(Cl)c1CSc1nnc(N2CCOCC2)n1C 71804196 QDTRCZKEDMYYJN-UHFFFAOYSA-N 342.856 1.639 0 40 EDAB CN(Cc1ccoc1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 71820725 FAZLMVCRJQLTHZ-OAHLLOKOSA-N 326.356 1.358 0 40 EDAB Cn1cc(C(=O)N2CCN3CCCC[C@@H]3C2)c(-c2cccnc2)n1 71839696 RPKXQWWSTJUNGV-OAHLLOKOSA-N 325.416 1.792 0 40 EDAB NC(=O)CC1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)n2)CC1 71821017 WPEIGHWIQRMYJR-VOTSOKGWSA-N 339.399 1.395 0 40 EDAB CN1CCN(CCOc2ccccc2NC(=O)NCC2CC2)CC1 71883795 CJVVYZFXBKJNMM-UHFFFAOYSA-N 332.448 1.844 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)n1 83829928 HKNLPBJWXUUYRF-AWEZNQCLSA-N 341.371 1.651 0 40 EDAB CN(C)c1ccc(NC(=O)c2ccccc2SCC(N)=O)nc1 83854393 AFYYBCMKWPACJR-UHFFFAOYSA-N 330.413 1.977 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CCO2)n1 72300111 CQRIAWLZDXJZIM-HZMBPMFUSA-N 340.387 1.484 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCN(c3nc(C)ns3)CC2)on1 78970431 JJKOQGGUYGPRFA-JTQLQIEISA-N 336.421 1.292 0 40 EDAB Cc1cnc(CN2CCN([C@@H](C)C(=O)N3CCCCCC3)CC2)o1 95404854 OUESMDMKFRGMHI-INIZCTEOSA-N 334.464 1.892 0 40 EDAB Cc1ccccc1CNC(=O)CN1CCN(Cc2cccnc2)CC1 95446659 JQRKHOPOGJZBSU-UHFFFAOYSA-N 338.455 1.824 0 40 EDAB CCOC(=O)c1ccc(N2CCN(Cc3cc(C)n(C)n3)CC2)nc1 95425727 HWRQIONHCKFFBW-UHFFFAOYSA-N 343.431 1.622 0 40 EDAB CCCn1nc(C(=O)N[C@@](CC)(C(=O)O)c2ccccc2)ccc1=O 95424617 OISCPLJXIAVZPK-GOSISDBHSA-N 343.383 1.773 0 40 EDAB O=C(NC[C@H](O)COCC1CC1)NC[C@@H]1C[C@]12CCc1ccccc12 88619463 UKZPPPIKHZHZCN-ABSDTBQOSA-N 344.455 1.977 0 40 EDAB C[C@@H](CCc1cccn1C)NC(=O)N1CCC[C@@H]1CN1CCOCC1 74744569 CLSCHJJLMBAUPF-FUHWJXTLSA-N 348.491 1.852 0 40 EDAB Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c(=O)[nH]1 75118622 BAUNXQDTOHEONW-QGZVFWFLSA-N 341.411 1.487 0 40 EDAB COc1ccccc1CCNC(=O)N1CCC[C@H](c2nncn2C)C1 89761897 XGLRWIYPNRBXHK-HNNXBMFYSA-N 343.431 1.955 0 40 EDAB O=C1[C@H](n2c(=O)[nH]c3ccccc3c2=O)CCN1CC(F)(F)F 89866513 WZGGJQNRZPIWMX-SNVBAGLBSA-N 327.262 1.026 0 40 EDAB COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccccc1 67286603 JBOGQKRTEAEOQV-MRXNPFEDSA-N 329.400 1.954 0 40 EDAB CCOc1cccc(S(=O)(=O)N2CCC[C@H](CC(=O)O)C2)c1 515673523 PVPHOGKITMNULX-GFCCVEGCSA-N 327.402 1.961 0 40 EDAB CC(C)c1nn(C)cc1C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 519538425 STESFGZFNUCPCP-GFCCVEGCSA-N 347.440 1.844 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2c(F)cccc2F)C1 78602822 RXEPKPJGFZNADN-NSHDSACASA-N 341.358 1.130 0 40 EDAB O=C(Cc1noc(CCN2CCCC2=O)n1)NCc1ccccc1 78773462 DOCAPTDDGOALCM-UHFFFAOYSA-N 328.372 1.093 0 40 EDAB O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CCCN(c2ncccn2)C1 79473468 MQGROIVDXDCDCO-CYBMUJFWSA-N 336.399 1.886 0 40 EDAB C[S@@](=O)CCNC(=O)N1CCN(c2cc(F)ccc2F)CC1 78328930 SCPFQBVSDHWUDN-QFIPXVFZSA-N 331.388 1.175 0 40 EDAB COC(=O)[C@@H](C)N(C(=O)CCC1CCCC1)[C@H]1CCS(=O)(=O)C1 32641333 YTVNYCNOUJOXNW-OCCSQVGLSA-N 345.461 1.534 0 40 EDAB Cc1cnc(Nc2nccc([C@@H]3CCCCN3C(=O)CN)n2)s1 72382983 RRFQQNGLYCIXQS-LBPRGKRZSA-N 332.433 1.997 0 40 EDAB CCOC(=O)C[C@@H](c1cccc(OC)c1)c1oc(CO)cc(=O)c1O 71280110 SWRHXKNERIPEFX-AWEZNQCLSA-N 348.351 1.931 0 40 EDAB O=C(CNc1nnc(-c2ccccc2Cl)s1)N1CCNCC1 566905651 MCKWEWCEAYHNAI-UHFFFAOYSA-N 337.836 1.702 0 40 EDAB COc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)CCC(=O)N2C)cc1 72242016 RTWPZZLECKPBPW-DOTOQJQBSA-N 332.400 1.464 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)COCCOc1ccccc1)C2 72279014 AYQMOJMXODLPLK-OAHLLOKOSA-N 329.400 1.718 0 40 EDAB Cn1nc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1NC(=O)C1CC1 46089149 AQBNPXKZYHFKNT-UHFFFAOYSA-N 347.463 1.808 0 40 EDAB CN(C)c1ncc(CN2CCNC(=O)C[C@H]2c2ccccc2)n1C 569596956 FODKFEYPMZPZER-INIZCTEOSA-N 327.432 1.549 0 40 EDAB Cc1ccc(NC(=O)NCc2nccc(N3CCOCC3)n2)cc1 224172222 JUCRQYUTDKWUBO-UHFFFAOYSA-N 327.388 1.943 0 40 EDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)Cc3ccsc3)C2)nn1 225447950 XJKDDPKWVZPADK-ZDUSSCGKSA-N 332.429 1.827 0 40 EDAB O=C(CCn1cnc2ccccc21)N1CCC[C@@](O)(c2cnn[nH]2)C1 583621372 XYGZERUUGKKQPH-KRWDZBQOSA-N 340.387 1.055 0 40 EDAB CC/C(=C\C(=O)N1CCN([C@H](C)C(N)=O)CC1)c1ccc(C)cc1 96423742 VCGSYLTXCJFOMS-WTNDLDAUSA-N 329.444 1.806 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H](C)C(=O)N(C)C 530751083 UJJLVRMTBRKQFE-CYBMUJFWSA-N 328.416 1.755 0 40 EDAB COCCN(C)C(=O)[C@H]1CCCN(C(=O)c2sccc2OC)C1 95381565 DWDFWDFQVYVWGW-LBPRGKRZSA-N 340.445 1.714 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(CCN(C(=O)c3cscn3)C2)C1 96071098 KUHYRSYNKWNJPO-ZDUSSCGKSA-N 329.447 1.031 0 40 EDAB O=C(c1ccoc1)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1ccccn1 96216605 REBYIYDZJGNVBB-RDTXWAMCSA-N 341.367 1.332 0 40 EDAB COc1ccc2c(c1)CN(S(=O)(=O)c1ccc(C(=O)O)nc1)CC2 579829602 SKMFTYXIXLFSHP-UHFFFAOYSA-N 348.380 1.535 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 96186807 ITKQPAKSUNYREQ-ILXRZTDVSA-N 326.418 1.180 0 40 EDAB CCn1nc(C)c(S(=O)(=O)NCCc2ccc3c(c2)CCO3)c1C 96428023 DAJGLFPUXUXIIX-UHFFFAOYSA-N 349.456 1.976 0 40 EDAB Cc1nn(CCO)c(C)c1CNCc1ccc(N2CCCC2=O)cc1 97159696 HEBILAUCGIZGJI-UHFFFAOYSA-N 342.443 1.909 0 40 EDAB Cc1cc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)on1 97238286 LNBVYBKJMXDXMO-MRXNPFEDSA-N 329.400 1.870 0 40 EDAB O=C(c1cccs1)N1CC[C@@H]2[C@@H]1CC(=O)N2CC1CCOCC1 96063863 QUAPAZYYGDGIPS-KGLIPLIRSA-N 334.441 1.990 0 40 EDAB Cc1cccc(CS(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)c1 95433039 QPIZQUBFZMAEIX-KRWDZBQOSA-N 340.489 1.507 0 40 EDAB COCCN(C)C(=O)c1nc2c(s1)CCCN2c1ncccn1 96146862 IUDLSOKHAFRAHU-UHFFFAOYSA-N 333.417 1.736 0 40 EDAB O=C1NC2(CCN(C(=O)c3ccco3)CC2)C[C@H]1c1cccnc1 96061388 UQGRMTCKGRAONU-AWEZNQCLSA-N 325.368 1.953 0 40 EDAB CCN1C[C@H](COCc2ccccn2)[C@]2(CCN(C(=O)N(C)C)C2)C1 96220176 MGENLZPCTWHDEC-VQIMIIECSA-N 346.475 1.924 0 40 EDAB CC1CCN(C(=O)[C@@H]2C[C@@H]3CCN(CCN4CCCC4)C[C@@H]3O2)CC1 96065483 JGRUGFOVNULHGV-FHWLQOOXSA-N 349.519 1.820 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)c1 96428635 KQPWFXBQSDDVEV-CQSZACIVSA-N 342.436 1.619 0 40 EDAB C[C@H]1CCCN(c2ccccc2OC[C@H](O)CN2CCOCC2)C1 95439074 FCUSUYNDTORAFN-DLBZAZTESA-N 334.460 1.995 0 40 EDAB O=C(c1cccs1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124237 GVSYAIDFWMGYKT-UHFFFAOYSA-N 341.400 1.081 0 40 EDAB CN(C)c1ccnc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1 97101477 PQGNWPUGVHRBSV-KRWDZBQOSA-N 338.411 1.851 0 40 EDAB COc1ccc([C@@H](NC(=O)CN2CCCC[C@H]2C(N)=O)C(C)C)cc1 245237556 NOGJVXWBQJAPKQ-WMZOPIPTSA-N 347.459 1.848 0 40 EDAB CC[C@@H](OC)C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1 585126023 LOMXOBNIOJSZBI-JCQPUDPBSA-N 341.433 1.765 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(c2nnc(-c3ccc(O)cc3)s2)C1 585132953 JGOPOCKJTBTJRY-SNVBAGLBSA-N 340.430 1.039 0 40 EDAB COC(=O)[C@@](C)(CO)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 585114618 NLJRTPBTQIFNAI-OAHLLOKOSA-N 329.418 1.186 0 40 EDAB COC(=O)N[C@H](C(=O)Nc1cn(C)nc1Br)C(C)C 585125187 JQCAAMPOAPDWFM-QMMMGPOBSA-N 333.186 1.502 0 40 EDAB Cc1cc(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)no1 253471803 FTKBVXVQQPUQIJ-UHFFFAOYSA-N 325.332 1.034 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)Cc2cccc(OC)c2)CCO1 257281272 OOJRGFHWTGXREA-OAHLLOKOSA-N 342.399 1.670 0 40 EDAB COC(=O)[C@H]1CCc2nnc(-c3cc(Br)c[nH]3)n2C1 601045910 ZZLUVFKNMBMOEK-ZETCQYMHSA-N 325.166 1.771 0 40 EDAB CCCn1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)n1 257254983 KFQBHPJAKKGZRC-HZPDHXFCSA-N 333.363 1.697 0 40 EDAB Cc1nccc(C(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)n1 257263758 LRIASDAAGWAGIU-KRWDZBQOSA-N 345.378 1.080 0 40 EDAB COc1cc(CCC(=O)NCc2cnc([C@@H]3CCCCO3)nc2)on1 257244542 ILVAZDXNHVZUFH-AWEZNQCLSA-N 346.387 1.964 0 40 EDAB CN1CCC[C@@H](c2cncc(N3CC4(CCOCC4)OC3=O)n2)C1 257333255 YAVTTYCGEQQOHS-CYBMUJFWSA-N 332.404 1.792 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1ccn(C)n1 257224153 FANKMBNAVKWYQL-QGZVFWFLSA-N 328.416 1.834 0 40 EDAB COC(=O)c1oc(S(=O)(=O)N2CC[C@H](C)[C@H](CO)C2)cc1C 598623468 AQZUFCHOWKTFNF-ONGXEEELSA-N 331.390 1.014 0 40 EDAB Cc1nnc2n1CCC[C@@H]2NC(=O)c1ccc(CCN(C)C)cc1 1615054745 IXBWIWSDMROQLS-INIZCTEOSA-N 327.432 1.956 0 40 EDAB COC1(OC)CCOC[C@@H]1NC(=O)Nc1cc2c(cc1C)OCO2 1615587360 JVKCAKDTRZPDMR-AWEZNQCLSA-N 338.360 1.623 0 40 EDAB N[C@@H]1C[C@@H]2C[C@@H](C(=O)N3CCn4c(cnc4C(F)(F)F)C3)C[C@H]21 1615544799 DBXLUSJHEOTIMO-LUTQBAROSA-N 328.338 1.618 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)OCC(F)(F)F)C[C@H]1c1cncn1C 1615614646 QBKHYYYPJBAQGV-RKDXNWHRSA-N 335.282 1.307 0 40 EDAB CCN(Cc1nc2ncc(Br)cn2n1)c1cnn(C)c1 1616036698 SMSZPGULFVVRLX-UHFFFAOYSA-N 336.197 1.647 0 40 EDAB CC(C)C(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccnc1 575402678 FBKMDEMSYLZSIP-HNNXBMFYSA-N 331.416 1.475 0 40 EDAB COc1ccc([C@@H]2NC(=O)[C@H](c3ccc(OC)cc3)NC2=O)cc1 144513978 ZWGLQYYQYWBZRJ-HOTGVXAUSA-N 326.352 1.732 0 40 EDAB COc1ccc(COCC(=O)N2CC(=O)Nc3ccccc3C2)cn1 585123898 LOUVGBFWYCXJGU-UHFFFAOYSA-N 341.367 1.588 0 40 EDAB COC[C@H]1CN(C)C2(C1)CN(S(=O)(=O)c1ccc(F)cc1)C2 585093858 KGIXQTXZNWXPGC-GFCCVEGCSA-N 328.409 1.167 0 40 EDAB CNC(=O)CN1CCC[C@]12CC(C)(C)O[C@H]2CC(=O)N1CCCC1 585292215 YZYXIGHEWKGAEA-KBXCAEBGSA-N 337.464 1.147 0 40 EDAB COc1cccc([C@H]2CO[C@]3(C2)CN(Cc2cc[nH]n2)C[C@H]3O)c1 585290363 BWXDGQSLPAXEMR-ZTFGCOKTSA-N 329.400 1.538 0 40 EDAB CC(C)COC[C@H](O)CNC(=O)NCc1cnn(-c2ccccc2)c1 44967526 FWTANBKKMKFMTQ-QGZVFWFLSA-N 346.431 1.705 0 40 EDAB O=S1(=O)CC[C@H](CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 48709539 XOYYCVBLSFUZRJ-LLVKDONJSA-N 349.412 1.330 0 40 EDAB CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCCO3)C1 69277153 DQDQNZZOMAKKGK-AWEZNQCLSA-N 347.415 1.385 0 40 EDAB CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC1(c2ccccc2)CC1 69809424 FLJVPOUKHJEHJN-UKRRQHHQSA-N 338.473 1.798 0 40 EDAB Cc1nc([C@@H]2CCCN2Cc2ccc(S(=O)(=O)N(C)C)o2)no1 75573030 LFRSDJFJBAEZEB-LBPRGKRZSA-N 340.405 1.558 0 40 EDAB CCn1c(C)nnc1CN(C)[C@H]1CCN(Cc2nnc(C3CC3)o2)C1 83836891 RWAUYPWFSOSQEZ-AWEZNQCLSA-N 345.451 1.573 0 40 EDAB CCOc1cccc(Cc2noc([C@]3(O)CCCN(C(C)=O)C3)n2)n1 1614997898 GVWQOWXPGVSCAK-KRWDZBQOSA-N 346.387 1.284 0 40 EDAB COC(=O)c1cc(NC(=O)[C@@H]2CCC(=O)N2C)c(Cl)c(OC)c1 1615585749 DCUHAXNGKDVICP-JTQLQIEISA-N 340.763 1.695 0 40 EDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3c(C)noc3C)C[C@H]21 12120074 JXYKJUNUGJWTQB-YPMHNXCESA-N 328.372 1.485 0 40 EDAB Cc1nc(O)c2nnn(C3CCN(C(=O)c4ccccc4)CC3)c2n1 12336926 UPYGOXLWEBCNKD-UHFFFAOYSA-N 338.371 1.713 0 40 EDAB Cc1csc2nc3n(c(=O)c12)CCN(C(=O)c1cnccn1)CC3 12337315 BZPFSYPMLGSBIV-UHFFFAOYSA-N 341.396 1.255 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)/C=C/c2ccco2)cc1 12981998 KWWQQVIUYZKOOS-RMKNXTFCSA-N 334.397 1.696 0 40 EDAB CC(C)(CNC(=O)Cn1ncc2ccccc2c1=O)N1CCCCC1 19656495 GXLYIHZKOCCTIX-UHFFFAOYSA-N 342.443 1.777 0 40 EDAB O=C([C@H]1CN(Cc2ccc(F)c(F)c2)CCO1)N1CCSCC1 1888843789 QKWBXCWDERBMCN-OAHLLOKOSA-N 342.411 1.741 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(c3nnc(C4CC4)s3)CC2)n1 1888903985 ZZOLYDDDOMXYCT-UHFFFAOYSA-N 345.476 1.907 0 40 EDAB CC(C)S(=O)(=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 1848352037 BJEZDTJAFVHRES-KRWDZBQOSA-N 338.473 1.220 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CCN1C(=O)CSc2ccccc21 24475861 GRAXGKWDLILLER-UHFFFAOYSA-N 344.440 1.908 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CC(Nc3ncccn3)C2)cc1 238810774 AFZJXFLZFJDJPM-UHFFFAOYSA-N 332.385 1.164 0 40 EDAB COC(CNC(=O)c1cnc(O[C@@H]2CCOC2)c(Cl)c1)OC 245130827 UZLCGHIBFUEZTJ-SNVBAGLBSA-N 330.768 1.251 0 40 EDAB CCN(CC)C(=O)CN1CCC[C@](O)(COc2ccc(F)cc2)C1 2037909160 ZCOKVAQJUQNHIX-GOSISDBHSA-N 338.423 1.900 0 40 EDAB CC(C)N(C)C[C@@H]1CN(C(=O)CC2(O)CCC2)Cc2nccn2C1 1565542447 ATRNCHADQTWDKL-HNNXBMFYSA-N 334.464 1.487 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1 4941422 UNTGPJIHDBXASH-AWEZNQCLSA-N 334.372 1.436 0 40 EDAB COCCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 5438096 NIWBNAGDOGEWBK-UHFFFAOYSA-N 340.449 1.476 0 40 EDAB CC(C)(C)n1ncc2c(=O)n(NC(=O)Cc3ccc(F)cc3)cnc21 10250903 UVKVWXPIGZTAOS-UHFFFAOYSA-N 343.362 1.800 0 40 EDAB CCOCC(=O)Nn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O 10251922 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340.445 1.468 0 40 EDAB CCn1c(=O)[nH]c2ccccc2/c1=N/S(=O)(=O)c1ccc(C)cc1 100198221 SFRHRSQIBWZNFK-MNDPQUGUSA-N 343.408 1.948 0 40 EDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 40508522 HKPOJFQJLLXLGU-OCCSQVGLSA-N 327.388 1.265 0 40 EDAB CN(CC(=O)N1CCOCC1)Cc1cc(Br)cs1 40540201 XNDAQDOFGICBOL-UHFFFAOYSA-N 333.251 1.801 0 40 EDAB COc1ccc(C(=O)NCCCN(C(C)C)S(C)(=O)=O)cc1 40535293 VMTLSRXKSKONJX-UHFFFAOYSA-N 328.434 1.485 0 40 EDAB O=C(NCC(=O)N1CCn2c1nc1ccccc12)c1ccccc1F 29376510 UXGKZOLACJFRPB-UHFFFAOYSA-N 338.342 1.952 0 40 EDAB COc1ccccc1[C@@H](C)NC(=O)CN(C)c1ncnc2[nH]cnc12 45978102 KWGXWYDJLBZMKG-LLVKDONJSA-N 340.387 1.675 0 40 EDAB COc1ccc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl 8024811 LGZZHDQJJBSMEG-SECBINFHSA-N 339.822 1.277 0 40 EDAB CC(=O)CCc1ccc(OC[C@H](O)CN2CCC(C(N)=O)CC2)cc1 2627991 GURBUXPYMKPRFT-QGZVFWFLSA-N 348.443 1.145 0 40 EDAB NC(=O)SCC(=O)Nc1cccc(NC(=O)CSC(N)=O)c1 1681348 VECYFHZYPXNCRC-UHFFFAOYSA-N 342.402 1.187 0 40 EDAB COc1ccc(-c2nc(N)nc3c2CN(CCCC(=O)O)C3=O)cc1 1725299 OGJOPSQMHFGUBJ-UHFFFAOYSA-N 342.355 1.555 0 40 EDAB Cc1ccsc1/C=C/C(=O)N1CCN(CC(=O)N2CCCC2)CC1 32731576 HSQNTAWBCHIGKX-SNAWJCMRSA-N 347.484 1.836 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccn3)C2=O)cc1 6966147 SQURLEZZRWWHRG-XNTDXEJSSA-N 336.351 1.921 0 40 EDAB CN(C)S(=O)(=O)c1ccc2oc(S[C@H]3CCOC3=O)nc2c1 7254582 QSXSDGOQEZUSPI-NSHDSACASA-N 342.398 1.486 0 40 EDAB Cc1ccc(-c2nc(CN3CCc4nn(C)c(=O)cc4C3)no2)cc1 76064797 YWALHXVKYGENTF-UHFFFAOYSA-N 337.383 1.697 0 40 EDAB C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H](C(N)=O)C1 52961436 BJNJIFXTXJMZPY-MNOVXSKESA-N 341.814 1.633 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 76087321 WPWDBKCGARJBCV-APHBMKBZSA-N 349.479 1.130 0 40 EDAB c1cnnc(NC[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)c1 76049919 AUAJUHBDWBWIKL-HNNXBMFYSA-N 342.399 1.561 0 40 EDAB COC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 9647952 XIENJIDISYDZNG-CYBMUJFWSA-N 341.161 1.389 0 40 EDAB Cn1cc(-c2nc(C(=O)N3CCC(CC(N)=O)CC3)cs2)cn1 53890740 HHAYUPVPIJEXDD-UHFFFAOYSA-N 333.417 1.271 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCNc2nnc(C)s2)c1 77188907 ZBWWLHKZCVZJMH-UHFFFAOYSA-N 326.447 1.854 0 40 EDAB Nc1cc(O)nc(SCC(=O)Nc2cccc3nsnc23)n1 12409641 DRGDTXGEJXZDJV-UHFFFAOYSA-N 334.386 1.500 0 40 EDAB COC(=O)c1ccoc1Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 23508497 PVNMLADDULQACF-UHFFFAOYSA-N 344.245 1.394 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)NC[C@@H]2COc3ccccc3O2)c1 23683552 GLEHCMSLAFOSBS-CYBMUJFWSA-N 347.392 1.660 0 40 EDAB O=C(CNC(=O)c1ccc(F)cc1F)NCc1cn2ccccc2n1 23754741 DRVVIVMCYUFTLB-UHFFFAOYSA-N 344.321 1.659 0 40 EDAB O=C(NCc1cc(-c2ccccc2)no1)N[C@@H]1CCS(=O)(=O)C1 42871145 FHUAPHSCXVVOMX-GFCCVEGCSA-N 335.385 1.328 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cn2cncn2)cc1 54815279 HLBSACRQCORDME-HNNXBMFYSA-N 327.388 1.019 0 40 EDAB Cc1cccc(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c1C 22517621 XLOUDDWXIRZBMK-QGZVFWFLSA-N 333.476 1.824 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)N3CC[C@@](O)(C(F)(F)F)C3)cc12 81607545 DKMWCOKJSRRJMS-ZDUSSCGKSA-N 343.309 1.808 0 40 EDAB O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 106654134 WDFCDDWHYPLIOZ-ILXRZTDVSA-N 329.400 1.502 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1C(=O)N(C)Cc1cnn(C)c1 25303919 GJSCWLKRIRJIBO-UHFFFAOYSA-N 335.429 1.874 0 40 EDAB Cn1ccnc1CN1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 107785433 AOZJSEPMBDIKKW-AEFFLSMTSA-N 328.416 1.765 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)OCc2cn3ccccc3n2)cc1 57945955 CFKGSSIVZDQMHM-UHFFFAOYSA-N 345.380 1.599 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 107334437 HGIGFGVMCMWFCS-IHRRRGAJSA-N 341.411 1.632 0 40 EDAB O=C(NCc1ccccc1)N1[C@H]2CC[C@H]1CN(S(=O)(=O)C1CC1)C2 107806385 PLGLXEGDDYVMQU-GJZGRUSLSA-N 349.456 1.537 0 40 EDAB Cc1noc([C@H]2COCCN2C[C@@H](O)COc2ccc(F)cc2)n1 108498235 YHRXXSPDRPXUBR-UKRRQHHQSA-N 337.351 1.330 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2c(C)noc2C)cc1 27235389 VLMGCLWSNGOEFA-UHFFFAOYSA-N 337.401 1.271 0 40 EDAB NC(=O)C1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 29632313 CQUPAYRDQQUYOW-UHFFFAOYSA-N 334.401 1.455 0 40 EDAB C[C@@H](OC(=O)Cn1c(=O)oc2ccccc21)C(=O)N1CCCCCC1 48235033 DLQFKIXBOLBBTA-CYBMUJFWSA-N 346.383 1.929 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)N1CCC(n2cncn2)CC1 58158914 YBYVUWIVJBKCQH-UHFFFAOYSA-N 328.372 1.803 0 40 EDAB C[C@@H](CNC(=O)NCc1ccnc(N2CCCC2)c1)N1CCOCC1 48286755 UVHUNPWURWYFDB-HNNXBMFYSA-N 347.463 1.202 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NC2CCN(C3CC3)CC2)c1 48237247 RMRAXESTHGSPJR-UHFFFAOYSA-N 340.445 1.609 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(Oc2ccccc2)nc1 58278832 CBZUNHBNPIWGTR-UHFFFAOYSA-N 338.323 1.363 0 40 EDAB Cc1cc(NC(=O)CNC(=O)c2cnccn2)ccc1Br 58226609 CXKUNGUBNOMEMQ-UHFFFAOYSA-N 349.188 1.916 0 40 EDAB O=C(CC1CCN(C(=O)c2ccccc2O)CC1)N1CCOCC1 58249283 CAXFLPZGWLMOPY-UHFFFAOYSA-N 332.400 1.493 0 40 EDAB CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)c1nc2ccccc2s1 12763780 BDDRXVABZCUCFK-LLVKDONJSA-N 339.442 1.683 0 40 EDAB C[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)[C@H]1CCCO1 27853352 RCRPYVXSULTXHX-CZUORRHYSA-N 327.384 1.589 0 40 EDAB C[C@@H](N[C@@H]1CCS(=O)(=O)C1)c1nc(N)nc(Nc2ccccc2)n1 58305198 QIDKNMOZHGQSRQ-ZYHUDNBSSA-N 348.432 1.035 0 40 EDAB CCOc1ccccc1OC1CCN(CCC(=O)NC(N)=O)CC1 58434908 LEPIQIDQNWASJN-UHFFFAOYSA-N 335.404 1.514 0 40 EDAB CNC(=O)[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)NCC(C)C 36391063 XZVFOEZFAJKEJR-OAHLLOKOSA-N 325.840 1.831 0 40 EDAB C[C@H](NC(=O)N[C@@H](C)c1ccccn1)c1ccc(S(N)(=O)=O)cc1 48363095 WDGZDHHWUKNVPJ-RYUDHWBXSA-N 348.428 1.850 0 40 EDAB COCCOc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 28326046 UUERPVYZXJHXOK-WFASDCNBSA-N 329.418 1.558 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 36674514 XXGYRZOKAHQAEH-TZMCWYRMSA-N 346.383 1.106 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1ccccc1 3463917 IYWRWOIGLACGBJ-FQEVSTJZSA-N 349.390 1.696 0 40 EDAB O=C(CN1C(=O)CCC1=O)Nc1ncc(Cc2ccccc2)s1 11637578 YIIPTQIMACUBLO-UHFFFAOYSA-N 329.381 1.821 0 40 EDAB Cc1ccccc1CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12921537 VFKQZMVAOVGIJN-UHFFFAOYSA-N 337.379 1.705 0 40 EDAB CSc1cccc(N2C[C@H](C(=O)NCC(=O)NC3CC3)CC2=O)c1 12999145 SFSPUNXOXJXLEY-LLVKDONJSA-N 347.440 1.156 0 40 EDAB CCC[C@H]1NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 13039128 UWIHZHJLNDEUTN-HUUCEWRRSA-N 329.400 1.901 0 40 EDAB O=C(NCCCOc1ccc(F)cc1)NCCNc1ncccn1 63799712 OWEJUVTWMPZIKY-UHFFFAOYSA-N 333.367 1.796 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@@H]2Cn2nc(C)nc2C)n(C)n1 69491553 LVKFBNSJNZTYKA-CQSZACIVSA-N 331.424 1.040 0 40 EDAB CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(N2CCOCC2)c1 69433022 QSIJHSFVBXMVLF-HNNXBMFYSA-N 349.456 1.773 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N[C@H]2CCCN(Cc3noc(C)n3)C2)on1 69842485 FYYQEOXBDCRLIM-AAEUAGOBSA-N 348.407 1.256 0 40 EDAB COc1cccc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2C)c1O 13684058 QDSGPIPWCQMTHL-DYVFJYSZSA-N 349.408 1.680 0 40 EDAB CC(=O)NCCN(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 69510221 CCYWOCBUOKWMMR-LJQANCHMSA-N 333.476 1.500 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(CS(N)(=O)=O)cc1)c1ccncc1 65453693 ORVLXNNIDFYSLR-GFCCVEGCSA-N 348.428 1.431 0 40 EDAB CC[C@](C)(NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)C(=O)OC 65494066 VYIMRJRKAOGMQG-KDOFPFPSSA-N 348.399 1.876 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N[C@H](C)[C@@H](C)n3cncn3)cnc12 69696816 JMJDIIOICPAQPN-CHWSQXEVSA-N 340.387 1.062 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)Cc3cccs3)CC2)n1 69656076 VCKGQUAQFUULAI-UHFFFAOYSA-N 332.429 1.746 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@@H](OC)c3ccccc3)CC2)n1 65625505 BLDOAGWEZJEFHU-INIZCTEOSA-N 342.399 1.522 0 40 EDAB C[C@H]1CCCCN1C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1 5585876 MBQXFUVKBDYCNQ-LBPRGKRZSA-N 339.413 1.648 0 40 EDAB Cc1ccc(N2CCCN(C(=O)c3ccc(N(C)C)nc3)CC2)nn1 69778878 SZBSLNNAPUQVNM-UHFFFAOYSA-N 340.431 1.599 0 40 EDAB COc1cc(/C=C/C(=O)N2CCC[C@H]2C(=O)O)c(OC)c2c1OCO2 15108217 HFHDDBIDYBKLKK-QRGHLMKCSA-N 349.339 1.521 0 40 EDAB COc1cccc(S(=O)(=O)CCN[C@H](C)[C@@H](C)n2cccn2)c1 69952289 LZVKHYDELRRBQA-ZIAGYGMSSA-N 337.445 1.905 0 40 EDAB Cc1cc(C)c(CNC(=O)c2ccc(S(C)(=O)=O)cc2)c(=O)[nH]1 7118317 LGHVSBCMEMTWSM-UHFFFAOYSA-N 334.397 1.325 0 40 EDAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1cccc(Br)c1 7327424 KHAMVDMIYURNIK-UHFFFAOYSA-N 338.161 1.328 0 40 EDAB O=C(c1ccc(Br)cn1)N(CCO)Cc1cccnc1 97022715 HGVJMDHIIDQCOH-UHFFFAOYSA-N 336.189 1.874 0 40 EDAB CCc1nn(C)cc1CN1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 97033857 MOLMAUOHYDBXAY-HUUCEWRRSA-N 348.491 1.830 0 40 EDAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)CN(C)S(C)(=O)=O)C2CC2)o1 41896814 HWTWBWVEQBQEJQ-FZMZJTMJSA-N 340.445 1.785 0 40 EDAB Cn1ncc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1-n1cccc1 71329027 BHBPQMDWSXJADC-KBXCAEBGSA-N 328.416 1.978 0 40 EDAB CC(=O)N(c1nc(CN(C)[C@@H](C)C[S@@](C)=O)cs1)C1CC1 96012890 SYLYNJBTFJZBOS-CWKPULSASA-N 329.491 1.857 0 40 EDAB CCn1cc(CN2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)cn1 97084982 RYTZORCKZWSVOC-MRXNPFEDSA-N 339.399 1.556 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)no1 72231983 SHHIDTXKLJEOCB-LBPRGKRZSA-N 342.355 1.692 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)c1ccc(OCC(=O)C2CC2)cc1 72275246 ZBMVHNRSTVDZDL-AWEZNQCLSA-N 346.427 1.495 0 40 EDAB Cc1ccc([C@@H](CNc2ccc3nnnn3n2)N2CCOCC2)s1 72276391 AXIIRUHBKNCFDU-GFCCVEGCSA-N 345.432 1.375 0 40 EDAB C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 72280783 KPAPDECTOJCDTM-ZDUSSCGKSA-N 339.395 1.719 0 40 EDAB OCCN1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 19868437 ADTWFDIPAKVGOL-UHFFFAOYSA-N 331.504 1.694 0 40 EDAB CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cnn(C)c1 96454193 PDFHTCPAMXIKNT-MRXNPFEDSA-N 343.362 1.726 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)C[C@@H]3CCOc4ccccc43)CCO2)n1 72299554 KLUSRXZNWDQXRD-XJKSGUPXSA-N 342.399 1.969 0 40 EDAB NC(=O)CN1CCCN(C(=O)Cc2ccc(-n3cccc3)cc2)CC1 71829312 KFKIZFQYPAYNBF-UHFFFAOYSA-N 340.427 1.039 0 40 EDAB O=C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CCN1 71839596 QXENJCFMUAGBQU-NSHDSACASA-N 335.791 1.041 0 40 EDAB COc1ccc(CC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 71826755 NSMLZPULOMOJTE-OAHLLOKOSA-N 344.386 1.837 0 40 EDAB CN(C(=O)C1CCN(C[C@@H](O)Cn2cccn2)CC1)c1ccccc1 71880215 UXDHFHKNNRFYCS-GOSISDBHSA-N 342.443 1.619 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)CCCc3nc(CC)no3)CCO2)n1 83830494 GIIBMNCXRBBOQR-NSHDSACASA-N 348.407 1.235 0 40 EDAB CCN(C[C@H]1CCCO1)C(=O)CN1CCN(c2ccccn2)CC1 71916700 CMAYKXQZMQDODB-MRXNPFEDSA-N 332.448 1.231 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1CCc2ncnc(N(C)C)c2C1 97202292 MRMRPEIEXMNTFN-UHFFFAOYSA-N 345.472 1.621 0 40 EDAB O=C(CN1C[C@H]2CCC[C@@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 84364189 WCMJEYBVJLBERH-IAGOWNOFSA-N 341.455 1.927 0 40 EDAB O=C1CN(C(=O)NCc2ccc3c(c2)OCO3)[C@@H]2CCCC[C@@H]2N1 84459164 BKOQRYQGHURXNB-QWHCGFSZSA-N 331.372 1.368 0 40 EDAB C[C@@H](C(=O)N1CCC(CS(N)(=O)=O)CC1)c1cccc(Cl)c1 78878213 GKJMRWLDQXIDRE-LLVKDONJSA-N 344.864 1.971 0 40 EDAB CCS(=O)(=O)CCn1ccc(NC(=O)Cc2ccc(F)cc2)n1 78845601 PRNOSALBDPQRJF-UHFFFAOYSA-N 339.392 1.638 0 40 EDAB CC(=O)N1CCCN([C@@H]2CN(Cc3cnc(C)cn3)C[C@@H]2C)CC1 78896306 PNCGPSRGGXTBEF-KBXCAEBGSA-N 331.464 1.160 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3cc(COC)oc3C)CCO2)n1 78888733 DJSWQJDMJATDGQ-ZDUSSCGKSA-N 334.376 1.629 0 40 EDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 95439615 XWBOEPUXDJYEJK-ZDUSSCGKSA-N 348.827 1.909 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)NCCCN(C)c1ccccc1F 95436867 QXJHMOBECQFDHN-HNNXBMFYSA-N 336.411 1.572 0 40 EDAB CCOC(=O)c1cnn([C@@H]2CCCN(Cc3cn(C)nc3C)C2)c1 95999625 HPYWPKRTTIFIQO-MRXNPFEDSA-N 331.420 1.939 0 40 EDAB CC(C)N1CCC[C@H](N2CCN(C(=O)c3cccn3C)CC2)C1=O 95963674 GKJULNBLNQALMJ-INIZCTEOSA-N 332.448 1.182 0 40 EDAB O=C1NC(=O)[C@H](Cc2nc(-c3cccc(Br)c3)no2)N1 95986416 JXRYKFZUOUPEBD-QMMMGPOBSA-N 337.133 1.250 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(N(C)C)nc1 89280031 RYUXDMKOEYEZRT-UHFFFAOYSA-N 337.449 1.807 0 40 EDAB COC(=O)[C@H](C)CS(=O)(=O)Nc1ccc(F)c(NC(C)=O)c1 75094412 BKPQEYVLJVFIMU-MRVPVSSYSA-N 332.353 1.335 0 40 EDAB Cc1ccccc1OC[C@H](O)CNC[C@H]1CCCN1c1cccnn1 75584877 RVICEUFZWLOLOW-IAGOWNOFSA-N 342.443 1.783 0 40 EDAB CNS(=O)(=O)c1cccc(CNCc2ccc(NC(C)=O)cc2)c1 66988887 GEXVPZPOPBAFIG-UHFFFAOYSA-N 347.440 1.843 0 40 EDAB CC(C)C(=O)N1CC[C@@]2(C1)OCc1cnc(-c3cnn(C)c3)nc12 306125487 CSJKZKRHOQFRKX-KRWDZBQOSA-N 327.388 1.491 0 40 EDAB CCn1c(SCC(N)=O)nnc1[C@H](C)NC(=O)c1ccccc1 409125015 MCNOQUIRHUPTBM-JTQLQIEISA-N 333.417 1.366 0 40 EDAB CN(C)CCNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408708435 ZTKJWWPMJKHVOM-UHFFFAOYSA-N 339.439 1.613 0 40 EDAB Cc1ccc(-c2c[nH]cc2C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)s1 548634196 VVTPEUMXQBCVGP-GFCCVEGCSA-N 344.396 1.428 0 40 EDAB C/C(=C\C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(C)(C)C 79318682 ZHXSDGLCWKOFPQ-CMPYXILNSA-N 328.478 1.310 0 40 EDAB O=C(Nc1ccccc1CC(F)(F)F)C(=O)N1CCC[C@H]1CO 121013755 NYKBEBOBHQRWBB-NSHDSACASA-N 330.306 1.713 0 40 EDAB COc1cc(CNCCc2nnc3n2CCC3)cc2c1OCCO2 30657295 VCRYYSNJZKCDIB-UHFFFAOYSA-N 330.388 1.336 0 40 EDAB C[C@@H]1CCSCCN1C(=O)NC[C@H](c1cnn(C)c1)N(C)C 189069617 CLXJAAQGKHBCGQ-TZMCWYRMSA-N 325.482 1.560 0 40 EDAB Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN2C(=O)CC[C@H]2C1 558665436 NUXUZCRZFROKAN-ZFWWWQNUSA-N 339.399 1.302 0 40 EDAB C[C@@H]1Oc2c(cccc2C(=O)OCCCc2cnn(C)c2)NC1=O 78446158 ILMVVORJFIKORY-NSHDSACASA-N 329.356 1.929 0 40 EDAB Cc1nc2cc(-c3nccn3C)nn2c(N2CCC[C@@H](CO)C2)c1C 72338529 KXFMEESULXOPOE-CQSZACIVSA-N 340.431 1.955 0 40 EDAB COc1cc(C)nc(N2CCC[C@@H](C(=O)NCc3ccco3)C2)n1 35315757 UHPWZRYBVLUYPB-CYBMUJFWSA-N 330.388 1.919 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2O)CC1 73688731 WUPIBEKDQWVGDT-KRWDZBQOSA-N 339.395 1.377 0 40 EDAB CC(C)S(=O)(=O)CC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 79358478 VPQRILAITVPGSH-MRXNPFEDSA-N 338.473 1.937 0 40 EDAB Cc1ccccc1-n1nc(C(=O)NCCn2cnnc2)c2c1CCC2 567604602 IETSGEGSKFFHEG-UHFFFAOYSA-N 336.399 1.691 0 40 EDAB CN1CC[C@@H](CN(C)C(=O)NCc2ccccc2-n2cccn2)C1 89374952 GPUBZYZYIIKPMA-OAHLLOKOSA-N 327.432 1.965 0 40 EDAB NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(Br)co1 569936380 RQYPIXLLELGZBE-ARENWVFISA-N 327.178 1.768 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)NCCSc1ncn[nH]1 223006526 XWRQFGKVRNZMGM-UHFFFAOYSA-N 348.837 1.537 0 40 EDAB C[C@H](CN1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(F)cc1 195572844 DOMDLHNPTUNPCT-CYBMUJFWSA-N 333.407 1.352 0 40 EDAB CSC[C@H](C)C(=O)N1CCN(CCNC(=O)C2CCCC2)CC1 95394247 QKUKMMSFHXWMKM-AWEZNQCLSA-N 341.521 1.436 0 40 EDAB O=C(NCC1CC1)[C@H]1CN(Cc2nccs2)CC12CCOCC2 96052129 KCEYDQYZJDPUOT-CQSZACIVSA-N 335.473 1.898 0 40 EDAB COCc1cc(N2CCO[C@H](c3nccs3)C2)n2ncnc2n1 97203818 ANWKYATVQCZQPU-NSHDSACASA-N 332.389 1.305 0 40 EDAB CC(C)c1cc(C(=O)NCCCN2CCOCC2)nc(N(C)C)n1 96101176 DMFCBOZYOXPSDD-UHFFFAOYSA-N 335.452 1.118 0 40 EDAB Cc1cc(N2CCOCC2)nc(CNC(=O)c2cccc(F)c2)n1 96120897 NTWVVKRGHZRUJV-UHFFFAOYSA-N 330.363 1.691 0 40 EDAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1ccccn1)C2 96039767 IFWKTTDIVZIONC-PKOBYXMFSA-N 347.459 1.558 0 40 EDAB CS(=O)(=O)N1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 96239631 MASLWTQEKXBHAT-CYBMUJFWSA-N 331.388 1.579 0 40 EDAB C[C@H](Oc1cccc(Br)c1)C(=O)NN1CCOCC1 96435952 GLQPKABSYRYADV-JTQLQIEISA-N 329.194 1.580 0 40 EDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2cccnc2)C1)N1CCCCO1 96057676 CLTQXRUOCJALDF-GVDBMIGSSA-N 331.416 1.615 0 40 EDAB CC(C)c1nnc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)o1 96466077 AONCUVXIZLLWLW-UHFFFAOYSA-N 337.343 1.532 0 40 EDAB O=C(C1CC1)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 96239081 FHNDAYWDNCHZPB-IBGZPJMESA-N 342.395 1.823 0 40 EDAB C[C@@H]1CN(C(=O)Cn2nnnc2CCCc2ccccc2)C[C@@H](C)O1 96456779 STWJPZQPBRQERB-HUUCEWRRSA-N 343.431 1.484 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@]2(N)CO)cc1 242498504 HJGLTZLPAOUQSF-GVDBMIGSSA-N 335.400 1.764 0 40 EDAB O=C(c1ccncc1)N1CC2(C1)OCC[C@@H]2COc1ccccn1 247870241 QMGDQGGGVYMGFV-OAHLLOKOSA-N 325.368 1.787 0 40 EDAB CN(C[C@]1(O)CCN(c2ccccn2)C1)C(=O)Cc1ccsc1 257224755 FDFKLJJYUKWBFK-QGZVFWFLSA-N 331.441 1.785 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)c3cccnn3)CCO2)ccn1 257227496 FPOIUGWFGIWBMV-OAHLLOKOSA-N 341.415 1.411 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2S(=O)(=O)c2cccs2)n1 257224075 FAFCUKIDBCZLQD-NSHDSACASA-N 341.414 1.314 0 40 EDAB O=C(NCc1cnc([C@H]2CCCCO2)nc1)c1cnn2cccnc12 257312970 UQLLBRWGOBSHDN-CQSZACIVSA-N 338.371 1.691 0 40 EDAB COCCC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(N)=O)C1 257287180 POVOMUAIZYYJEG-WFASDCNBSA-N 338.379 1.334 0 40 EDAB CS(=O)(=O)c1cncnc1C1CCN([C@H]2CCCC[C@@H]2O)CC1 257343467 ZTDNEBSUSYSTAQ-KBPBESRZSA-N 339.461 1.363 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1 257280747 OMFGCVFXAYHOPU-IBGZPJMESA-N 340.427 1.889 0 40 EDAB O=c1cc(C(F)(F)F)c(Br)cn1CC1(CO)COC1 585123128 WSKGKGJPKSDAFP-UHFFFAOYSA-N 342.111 1.639 0 40 EDAB CN(C)[C@H]1CN(S(=O)(=O)c2csc3ccccc23)C[C@@H]1O 585114750 XCCIVQQTNUDOAN-RYUDHWBXSA-N 326.443 1.197 0 40 EDAB CCOC(=O)[C@]1(F)CN(CCO[C@H]2CCCCO2)CC12COC2 585116065 GAEMKZDJMCNPAB-XJKSGUPXSA-N 331.384 1.133 0 40 EDAB COC(=O)C[C@H]1Cc2ccccc2N1Cc1nnnn1C(C)(C)C 585116430 VAZMDXOUPWDRFB-CYBMUJFWSA-N 329.404 1.923 0 40 EDAB CC(=O)N/C(=C\c1cnc(C)[nH]1)[C@H]1CCCCN1S(C)(=O)=O 257244104 IJVRSZFQTYEMKQ-YLHGKKIISA-N 326.422 1.009 0 40 EDAB CN(CCCO)S(=O)(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 1615586028 PDZBBFWNWQFTMQ-CHWSQXEVSA-N 348.262 1.949 0 40 EDAB C[C@@H]1CC(=O)N[C@H](C(=O)N2CC3(CCOCC3)c3ccccc32)C1 1615574708 LXBFJFWWBFFQFW-ZFWWWQNUSA-N 328.412 1.996 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(-n2cncn2)ncn1 96025254 QRJSYPGMXHRFFE-MEBBXXQBSA-N 338.327 1.224 0 40 EDAB Cc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C 96306413 RKEYDMLDDFVQFT-JTQLQIEISA-N 325.372 1.520 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@H](CNC(=O)c3ccco3)CO2)C1 575406108 VUQUWRBNJNXLRX-MGPQQGTHSA-N 332.400 1.673 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](C(=O)NCCc2cccs2)C1 575404249 MJMRKORIHONJSU-OAHLLOKOSA-N 346.456 1.843 0 40 EDAB Cc1cccc(O[C@@H]2CCC[C@H](NCCN3CCOCC3)[C@H]2O)c1 585288888 KXOGQJPWBMFXJP-IPMKNSEASA-N 334.460 1.578 0 40 EDAB Cc1cccc(OC[C@]2(O)CCN(CC(=O)Nc3ccccn3)C2)c1 585276106 JVKXMFAYUCHCEQ-IBGZPJMESA-N 341.411 1.844 0 40 EDAB Cc1ccc(OC[C@@]2(O)COCCN(C(=O)c3cnc[nH]3)C2)cc1 585276006 KQQQCUIVGYXCIY-KRWDZBQOSA-N 331.372 1.001 0 40 EDAB CC(=O)N1CCC(N2CCO[C@@](CO)(Cc3cccc(C)c3)C2)CC1 585275785 AGSLBQPVNUGZQF-FQEVSTJZSA-N 346.471 1.612 0 40 EDAB C[C@H]1CCc2nc(C(=O)N3CCCN(CC(F)F)CC3)cn2C1 585141439 UQLHPILGKYAINQ-LBPRGKRZSA-N 326.391 1.878 0 40 EDAB Cn1cc(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)cn1 585268972 GDJPPNYVWGXSJZ-QGZVFWFLSA-N 335.379 1.202 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)c1cc(C2CC2)nn1C(C)(C)C 48221405 JCDGOGDWYBGPGG-CYBMUJFWSA-N 334.464 1.966 0 40 EDAB CC[C@@H]1CN([C@@H](C)C(=O)NCC(F)(F)F)CCN1CCOC 69840519 NHARBXOUIGYYGO-NWDGAFQWSA-N 325.375 1.096 0 40 EDAB NC(=O)[C@@H]1CCCN1C(=O)NC(=O)CSc1ccccc1Cl 71916359 VAXGRCXRLCZCCB-JTQLQIEISA-N 341.820 1.618 0 40 EDAB O=C1CC[C@H](C(=O)N2CCc3c(Br)cccc3C2)CN1 79334685 MRSWELDFYKEWBS-JTQLQIEISA-N 337.217 1.860 0 40 EDAB Cc1cc2cc(OCC(=O)N(C)[C@@H]3CC[C@@H](O)[C@@H]3O)ccc2n1C 1615075396 GIKDRFRHIVZEEX-JFIYKMOQSA-N 332.400 1.208 0 40 EDAB O=C(c1cocn1)N1CC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615157618 LLLGLFVIBLXEOA-QGZVFWFLSA-N 345.330 1.462 0 40 EDAB CN1C[C@H]2[C@H](CCCN2C(=O)Nc2cn(C)nc2C(F)(F)F)C1=O 1615208205 MZCCMSLBHMOCHQ-WPRPVWTQSA-N 345.325 1.523 0 40 EDAB C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1nc(-c2cccnc2)oc1=O 1615548267 CSIAUJIPAVWBAE-JSGCOSHPSA-N 330.388 1.935 0 40 EDAB COc1ccccc1[C@H](CNS(=O)(=O)N1CCCC1)N(C)C 12362302 BMCUFKPRRRKMFK-AWEZNQCLSA-N 327.450 1.228 0 40 EDAB O=C(O)C[C@@H]1CCN(C(=O)C2CCC2)C[C@@H]1CCN1CCOCC1 12481162 IKCHSEKNDBMADL-HOTGVXAUSA-N 338.448 1.448 0 40 EDAB biogenic,in-vitro COc1ccc([C@H]2[C@@H]3[C@@H](NC(=O)N2C)N(C)C(=O)N[C@@H]3C)c(OC)c1 12653531 IVGBQRCBJJPBGS-FHOOGIDHSA-N 348.403 1.386 0 40 EDAB COc1cc(NC(=O)C2CC2)c(OC)cc1NC(=O)CCC(=O)O 13427298 GVOIKLJFPRSCTB-UHFFFAOYSA-N 336.344 1.856 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19529531 HPFWDUDMFYFZEJ-HNSFDTNUSA-N 330.384 1.192 0 40 EDAB Cc1cc(C)n(C[C@H](O)CN(Cc2ncc[nH]2)Cc2ccco2)n1 19573760 AYWVLKDCFAHXLX-OAHLLOKOSA-N 329.404 1.879 0 40 EDAB CCOc1ccccc1OCc1nnc2n1C[C@@H](C(=O)OC)CC2 601044118 HBJMVJFLNYCIND-LBPRGKRZSA-N 331.372 1.991 0 40 EDAB O=C(COc1ccc(F)cc1)N1CCOC[C@@H](Cc2cnccn2)C1 607853309 KFCJMEBPQJDQOB-AWEZNQCLSA-N 345.374 1.712 0 40 EDAB Cc1nnsc1C(=O)NC[C@@H](c1ccco1)N1CCSCC1 244909746 ATMKDBWHDFKDSQ-NSHDSACASA-N 338.458 1.959 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(c2ccc(C3CC3)nn2)C1 827736466 UEKPHOVZGONIJM-HUUCEWRRSA-N 330.432 1.866 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NCC1(N2CCOCC2)CCC1 1776009066 SUBZHRFOQJCNHU-UHFFFAOYSA-N 342.436 1.667 0 40 EDAB CCc1cnc(OC2CCN(C(=O)NC[C@H]3CCCO3)CC2)nc1 1776001980 WYPHTANFKIFKTN-OAHLLOKOSA-N 334.420 1.771 0 40 EDAB COC(=O)c1ccc(CSc2nnc3[nH]c(=O)c(C)c(C)n23)o1 4250432 KLDLXLNYYBBHSS-UHFFFAOYSA-N 334.357 1.706 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 5250871 KTMIXORBPKAWNI-UHFFFAOYSA-N 342.351 1.987 0 40 EDAB Cc1cc(CN2CCC[C@@](C(=O)N(C)C)(n3cccn3)C2)n(C)n1 2055771765 VXIXXEOOYUCDQC-QGZVFWFLSA-N 330.436 1.005 0 40 EDAB Cc1cc(N2C[C@@H]3CN(c4ncccc4F)C[C@H]3C2)n2ncnc2n1 2086865394 TXRUULGRWFHLOA-CHWSQXEVSA-N 339.378 1.539 0 40 EDAB Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4ccccn4)C3)ncn2)n1 575607215 AVOFQSMMYVNESJ-UHFFFAOYSA-N 349.398 1.749 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)N=c2[nH]c3ccccc3[nH]2)C1 40139487 TVQNWRNEIUNDDK-CYBMUJFWSA-N 331.420 1.463 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 40463070 KYIVOXVCZPHUBT-INIZCTEOSA-N 349.412 1.188 0 40 EDAB Cc1nc2ccccc2c(=O)n1CCCC(=O)N1CCOC[C@@H]1C 40509679 DJBVXDXFEUMEHX-ZDUSSCGKSA-N 329.400 1.732 0 40 EDAB CNC(=O)c1cccc(CNS(=O)(=O)c2cc(F)ccc2C)c1 32433216 YLJHUFCIZWCHKX-UHFFFAOYSA-N 336.388 1.972 0 40 EDAB O=C(COC(=O)C1CCOCC1)Nc1ccccc1N1CCCC1=O 29447621 ZPWRVGUUABADFH-UHFFFAOYSA-N 346.383 1.722 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 21063844 NBDGGYQQGHWFOB-STQMWFEESA-N 336.480 1.583 0 40 EDAB C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)n1cncn1 29758989 SYYSAOUJOHFTCT-CQSZACIVSA-N 341.415 1.118 0 40 EDAB CC(=O)N[C@@H](CSC(=O)c1ccccc1OC(C)=O)C(=O)O 1905201 QLOBGRBOWVVKIE-NSHDSACASA-N 325.342 1.075 0 40 EDAB in-man COCCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)C 4161286 UBBMOSCKSKNBLN-UHFFFAOYSA-N 334.445 1.696 0 40 EDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)cc1 6849283 NWGYRTRPFAHIES-OAHLLOKOSA-N 344.371 1.765 0 40 EDAB CCn1cnnc1CNC(=O)N1CCCN(Cc2ccccc2)CC1 46965424 DARQNWUINFVRDE-UHFFFAOYSA-N 342.447 1.716 0 40 EDAB Cn1c(CN2CCN(c3ccc4nncn4n3)CC2)nc2ccccc21 69814865 RCMCVOXVSRXFRI-UHFFFAOYSA-N 348.414 1.333 0 40 EDAB Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C 101074235 QOOKFECIGXERRL-VDERGJSUSA-N 349.390 1.796 0 40 EDAB CS(=O)(=O)NCCCNC(=O)c1cc(-c2cccc(F)c2)no1 41811182 QSCXWJQUHNNPOB-UHFFFAOYSA-N 341.364 1.150 0 40 EDAB C[C@]1(NC(=O)c2cccc(N3CCCC3=O)c2)CCS(=O)(=O)C1 22550767 OMGDMPHWLWATCK-INIZCTEOSA-N 336.413 1.120 0 40 EDAB Cc1c(Cl)cccc1N1C(=O)C[C@@H](N2CCC(C(N)=O)CC2)C1=O 101982784 RXJMXKWAJWHACU-CQSZACIVSA-N 349.818 1.478 0 40 EDAB COC(=O)C[C@H]1CCCCN1CC(=O)NC(=O)NC1CCCCC1 54394378 UPWQSFNDLJHGGK-CQSZACIVSA-N 339.436 1.563 0 40 EDAB CC(C)c1nccn1[C@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 72234662 VTXMELJVTCGCBO-ZDUSSCGKSA-N 331.420 1.778 0 40 EDAB Cc1cc(C)cc(OC[C@H](O)Cn2cnc3c(cnn3C)c2=O)c1 42758195 LZUCWLDBTIRMMZ-CYBMUJFWSA-N 328.372 1.187 0 40 EDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N(C)Cc1cnn(C)c1 24475438 KABVKZRTXWXKTG-AWEZNQCLSA-N 334.445 1.895 0 40 EDAB O=C(C[C@H]1CCCN1c1ccc2nnnn2n1)c1ccc(F)cc1 97049869 XIJYQEKZDZOQOH-CYBMUJFWSA-N 326.335 1.900 0 40 EDAB O=C(c1ccncc1)N1C[C@H](OCC2CCOCC2)[C@H]2COC[C@H]21 107201250 YAMILVUTNHCUDO-BBWFWOEESA-N 332.400 1.364 0 40 EDAB CN1N=C(C(=O)N2CCC(N(C)c3ccccc3)CC2)CCC1=O 57089534 GMSKESWCJFZCEV-UHFFFAOYSA-N 328.416 1.722 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)COc2ccccc2F)CC1 26781741 CUYAOFDEQMYSQQ-ZDUSSCGKSA-N 326.368 1.340 0 40 EDAB CCn1ccnc1CN1CCN(CC(=O)N(C)Cc2ccco2)CC1 69387128 HXGWRKWMKYCHKA-UHFFFAOYSA-N 345.447 1.272 0 40 EDAB CNC(=O)NC(=O)CNC1(c2ccc(Br)cc2)CCC1 69350591 MCYWTRIWEVBMDH-UHFFFAOYSA-N 340.221 1.874 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)Nc3cccc(Cl)c3)cnc21 12619977 CKEZHBLPTAAHEU-UHFFFAOYSA-N 331.763 1.812 0 40 EDAB CC(C)Cn1ccnc1CNS(=O)(=O)c1cc(Cl)cnc1N 97052404 JTTVJJBVVNWFKV-UHFFFAOYSA-N 343.840 1.648 0 40 EDAB O=C(NCC(=O)N1CCN(c2nccs2)CC1)c1ccc(F)cc1 10270499 YKACNXHBORYCOQ-UHFFFAOYSA-N 348.403 1.361 0 40 EDAB COc1c(CNC2CCN(C(=O)c3ccoc3)CC2)c(C)nn1C 58297466 NGNXDNXQTPRJCV-UHFFFAOYSA-N 332.404 1.725 0 40 EDAB CN(C(=O)CN1CCSc2ccccc21)[C@@H]1CCS(=O)(=O)C1 23707226 FIINCFNCKLWLOI-GFCCVEGCSA-N 340.470 1.244 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)NC[C@@H]1CCN(C2CC2)C1 44934342 ZXZJAIFBLRYVFK-ZDUSSCGKSA-N 329.400 1.013 0 40 EDAB C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(C(F)(F)F)nc1O 58344283 PPNWSAOXSGGXSI-QMMMGPOBSA-N 331.294 1.547 0 40 EDAB C[C@H]1CN(C(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)C[C@@H](C)O1 27976340 WTXNVWSLIXUVNV-XQQFMLRXSA-N 331.376 1.065 0 40 EDAB COC(=O)c1ccc(F)c(NC(=O)NCCCC(=O)NC2CC2)c1 58393815 AGQGJKULPRQUKX-UHFFFAOYSA-N 337.351 1.793 0 40 EDAB COCCOc1ccc(NC(=O)N[C@@H](C)CN2CCCC2=O)cn1 58419939 SPSBVEMANBJYNW-LBPRGKRZSA-N 336.392 1.239 0 40 EDAB COc1cc(CNC(=O)NCCC(=O)N2CCCCC2)cc(OC)c1 58440207 BAAZYVSOGZSWFL-UHFFFAOYSA-N 349.431 1.906 0 40 EDAB Cc1cc(NC(=O)Cn2ccc(=O)[nH]c2=O)ccc1Br 10916859 QCJQRYIABIZRJF-UHFFFAOYSA-N 338.161 1.246 0 40 EDAB CCCn1nc(C(=O)NCc2ccc(OC)c(OC)c2)ccc1=O 36735265 VZLOWRFSVUPJIZ-UHFFFAOYSA-N 331.372 1.601 0 40 EDAB CCOc1ccc(C)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 11566127 JGCINUAQMMZXIF-UHFFFAOYSA-N 326.418 1.247 0 40 EDAB CCONC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 12736444 MKUYEJUNVFCCFI-VIFPVBQESA-N 327.178 1.870 0 40 EDAB C[C@@H](NC(=O)c1cnccn1)C(=O)Nc1cccc(N2CCCC2)c1 69457625 MVTFFXMYHZARET-CYBMUJFWSA-N 339.399 1.834 0 40 EDAB CN(c1ncnc2c1cnn2C)[C@@H]1CCCN(c2ccccc2)C1=O 69972078 RPXPILVGIQZIHS-OAHLLOKOSA-N 336.399 1.995 0 40 EDAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 76942520 GWWAUIHNQHBMDB-ZWKOTPCHSA-N 341.455 1.521 0 40 EDAB CC(C)Sc1ccc([C@H](C)NC(=O)CNS(C)(=O)=O)cc1 69569079 PEVSHOIANPSZRN-NSHDSACASA-N 330.475 1.914 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCC1(N2CCOCC2)CCCCC1 69585796 COMKBDUTQIDKNJ-UHFFFAOYSA-N 349.523 1.919 0 40 EDAB CS(=O)(=O)CCOc1cccc(NC(=O)NCc2ccccn2)c1 69595657 RRLHVOZTFVRHLD-UHFFFAOYSA-N 349.412 1.827 0 40 EDAB CNC(=O)NC(=O)CN(CC(=O)N1CCCCC1)c1cccc(C)c1 69518572 GKPZOPYBAMOFDW-UHFFFAOYSA-N 346.431 1.270 0 40 EDAB CC(=O)N(C)c1nc(CN2CCC[C@@H]2Cn2nc(C)nc2C)cs1 69534716 UYJDQXDUZASXOB-OAHLLOKOSA-N 348.476 1.999 0 40 EDAB c1ccc(-n2nnc3c(N4CCC[C@@H]4Cn4cncn4)ncnc32)cc1 69699235 RTZONBVUZIDTEZ-CQSZACIVSA-N 347.386 1.471 0 40 EDAB C[C@H](OC(=O)C1=NN(C)C(=O)CC1)C(=O)c1c[nH]c2ccccc12 17734377 POVSQEKNEYBQPL-JTQLQIEISA-N 327.340 1.891 0 40 EDAB C[C@@H]1CN(CCNS(=O)(=O)Cc2ccccc2Cl)C[C@@H](C)O1 69703137 WOTIKYQBVUPTDH-CHWSQXEVSA-N 346.880 1.869 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)NCc1ccc(F)cc1 69706108 QATIFKPRHUSFJC-ROUUACIJSA-N 347.434 1.917 0 40 EDAB COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(C)n[nH]1)CC2 65437296 QFWLHKQIUKWZMN-UHFFFAOYSA-N 344.415 1.523 0 40 EDAB CC[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 65418990 GNBFKYSQTBKTCB-WFASDCNBSA-N 340.445 1.880 0 40 EDAB C[C@@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccc2c(c1)OCCO2 65473523 YGUFTJBIUVAARV-SNVBAGLBSA-N 345.359 1.022 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Nc1cc(F)ccc1OC[C@@H]1CCCO1 69740647 GMVRUJMBNJNUPP-JQWIXIFHSA-N 339.367 1.640 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)[C@@H]1CCCCN1Cc1ccncc1 69743693 DGFGHQDYPXTMPK-KRWDZBQOSA-N 346.475 1.809 0 40 EDAB CN1N=C(C(=O)Nc2nnc(-c3ccccc3Cl)[nH]2)CCC1=O 65531442 FLTZMILYOVCAEA-UHFFFAOYSA-N 332.751 1.672 0 40 EDAB Cc1ccc(CN(C(=O)CN2CCN(CCO)CC2)C2CC2)cc1 69773485 SNWVBTLAHZLVGP-UHFFFAOYSA-N 331.460 1.096 0 40 EDAB Cc1ccccc1[C@H](C)NC(=O)Cn1cnc2c(cnn2C)c1=O 14417410 FHVYVLLQIOQRFJ-LBPRGKRZSA-N 325.372 1.316 0 40 EDAB Cc1cc(C)c(CS(=O)(=O)CC(=O)N2CCO[C@@H](C)C2)c(C)c1 67226222 CDKDOGXMHCTHNQ-HNNXBMFYSA-N 339.457 1.774 0 40 EDAB Cc1cc(N)nc(SCC(=O)N2CCN(c3ccccn3)CC2)n1 19056752 VJCVMKWTLBMELC-UHFFFAOYSA-N 344.444 1.203 0 40 EDAB CCN(C)[C@@H](C(=O)N[C@@H](C)C(=O)N1CCOCC1)c1ccccc1 68310825 PPHUOXKEYWOUOS-GOEBONIOSA-N 333.432 1.043 0 40 EDAB O=C(Cc1cn2ccsc2n1)OCc1cc(=O)n2ccsc2n1 7702769 FXCCFZQNVGEKER-UHFFFAOYSA-N 346.393 1.751 0 40 EDAB C[C@@H](NC(=O)CCNS(=O)(=O)c1cccs1)c1ccncc1 7778848 HOTDJOAKUVPUJV-LLVKDONJSA-N 339.442 1.689 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)N2CCS(=O)(=O)CC2)C1(CC)CC 78346743 FBEQXRCASCDZFB-STQMWFEESA-N 332.466 1.410 0 40 EDAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)cc1 71288893 AHMMIBCHTGFCAE-NEPJUHHUSA-N 340.401 1.232 0 40 EDAB CCN(CC(=O)NC(C)C)Cc1cccc(S(=O)(=O)N(C)C)c1 16563400 ABORDNNUHZNGKJ-UHFFFAOYSA-N 341.477 1.283 0 40 EDAB Cc1c(CC(=O)N2CCC(O)CC2)c(=O)oc2cc(O)cc(O)c12 9134437 HUDWRMBNJAFMRB-UHFFFAOYSA-N 333.340 1.038 0 40 EDAB COc1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1Br 8133560 DYBHJLPGZYGLRA-SNVBAGLBSA-N 341.205 1.795 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@](C)(CC(C)C)C(N)=O 72277396 KYYKIEMUNCZHOT-INIZCTEOSA-N 347.444 1.928 0 40 EDAB O=C(CCNc1cc(N2CCC[C@H]2CO)ncn1)NC1CCCC1 72276175 CWSKBZKQYOYXJU-AWEZNQCLSA-N 333.436 1.299 0 40 EDAB CC(=O)N[C@@H](CC(=O)N[C@H]1CCc2nccn2C1)c1ccc(C)cc1 97197471 LNNLJDCPNROYAX-IRXDYDNUSA-N 340.427 1.890 0 40 EDAB COCCCNC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 9419935 FYLYZSQONLZKGC-AWEZNQCLSA-N 333.388 1.040 0 40 EDAB Cc1cccc(CS(=O)(=O)Nc2ncn(Cc3ccncc3)n2)c1 97140229 MDXXHXQDEXGNPB-UHFFFAOYSA-N 343.412 1.972 0 40 EDAB O=C(CCc1nc(-c2cccnc2)no1)N1CCN2CCCC[C@@H]2C1 71839768 QVQKGGGDKUNGNX-OAHLLOKOSA-N 341.415 1.761 0 40 EDAB NC(=O)[C@@H](CNC(=O)COc1ccccc1F)Cc1ccc(F)cc1 71826743 OKDQMEMFWNYEBF-CYBMUJFWSA-N 348.349 1.804 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2occc2COc2ccccc2)CC1 71871127 LWXGSKBABDHWAS-OAHLLOKOSA-N 344.411 1.997 0 40 EDAB CN(C(=O)CCOC[C@@H]1CCCO1)[C@@H]1CCN(c2ccccc2)C1=O 71896558 JEKWTLSNUBLEAZ-DLBZAZTESA-N 346.427 1.836 0 40 EDAB COc1ccc(C)cc1CN[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C 72300529 CUDXWXWPIJCNRF-ZFWWWQNUSA-N 326.462 1.763 0 40 EDAB CCn1nc2c(cc1=O)CN(C[C@H](O)COCc1ccccc1)CC2 72302175 YFQFMNKIOGWUCD-KRWDZBQOSA-N 343.427 1.199 0 40 EDAB O=C(N[C@H]1c2ncnn2CC[C@@]12CCN(C(=O)C1CC1)C2)C1CCC1 306141112 VLQNQVWIGWBSHD-KBXCAEBGSA-N 343.431 1.268 0 40 EDAB Cc1ccccc1CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 79094562 LJXVMIUJJKXJCT-MRXNPFEDSA-N 342.399 1.625 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N[C@H]1CCCN(c2ccccc2F)C1 95447248 KYLKERHGVVCARH-KGLIPLIRSA-N 346.410 1.774 0 40 EDAB CN1CCCC[C@@H]1C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 95414315 LOCAQJFWKZHOAL-GUDVDZBRSA-N 343.471 1.583 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H]3C[C@H]3c3cnn(C)c3)CC2)on1 95956431 ASRCGXZDAJRLKU-HOTGVXAUSA-N 329.404 1.164 0 40 EDAB CC(C)CN(C)S(=O)(=O)NCCCN1CCc2ccccc2C1 95993830 NNFJVMLQSFFUCW-UHFFFAOYSA-N 339.505 1.857 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)NC[C@@H]2Cc3ccccc3O2)C1 89761883 RSCZBUQUPPAPKP-GJZGRUSLSA-N 341.415 1.708 0 40 EDAB CCCN(C)c1ccc(C(=O)OCCOCCn2cncn2)cc1 89955576 RXXRKTUUHBXQDI-UHFFFAOYSA-N 332.404 1.998 0 40 EDAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CC1 409387744 BGIFSAZZKIGPTA-ZETCQYMHSA-N 337.228 1.939 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 31818464 NCXPKASAOPFRSW-CQSZACIVSA-N 337.387 1.052 0 40 EDAB CN1CCC[C@@]2(CCN(C(=O)NCc3cnn4ccccc34)C2)C1 516731977 BBXUWGGXUIHPEB-GOSISDBHSA-N 327.432 1.962 0 40 EDAB O=C(CNC(=O)c1ccccn1)NCCc1nc2ccccc2s1 74718363 RIOCRVJBJKUONQ-UHFFFAOYSA-N 340.408 1.780 0 40 EDAB N[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218061122 CPMGZWJFQHDAPZ-HRCADAONSA-N 337.828 1.970 0 40 EDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)Cn1ccnc1 42534823 PIGVKEPDIRXUHQ-JSGCOSHPSA-N 334.445 1.904 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)s1 36182943 OMPIJPJZQKQOEN-QMMMGPOBSA-N 338.414 1.636 0 40 EDAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C(=O)O)cc1 218616484 YTWWPAWCLSQKMQ-JFIYKMOQSA-N 345.420 1.971 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2O)c1=O 32855808 IPGWDHYSGZGOTQ-UHFFFAOYSA-N 339.351 1.527 0 40 EDAB C[C@@H](NC(=O)NCc1ncnn1C)c1nc(C2CCCCC2)no1 74909425 UIAHHDCCBYCHML-SNVBAGLBSA-N 333.396 1.806 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1nc2ccccc2o1 72244850 HZYGBAAUJXCACD-PWSUYJOCSA-N 337.401 1.429 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCCN(C)C)c(C)c1CC(=O)O 317131535 PFUJJTIJZGLVOH-UHFFFAOYSA-N 328.434 1.079 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCC1 33722939 QMKMPSGYMCDCKU-LLVKDONJSA-N 328.409 1.941 0 40 EDAB C[C@H](O)CN(C[C@H](O)COC12CC3CC(CC(C3)C1)C2)C[C@@H](C)O 35590861 WEZRROLMUUBMCC-DVSNYIGJSA-N 341.492 1.396 0 40 EDAB O=S1(=O)CCCC[C@@H]1CNCc1cnnn1Cc1ccccc1 565575566 WOHXZQDAGYZSBH-MRXNPFEDSA-N 334.445 1.383 0 40 EDAB COc1ccccc1C(=O)N1[C@H](C(=O)O)COC12CCN(C)CC2 71980053 CGPRUHPNJCPYQM-ZDUSSCGKSA-N 334.372 1.043 0 40 EDAB O=S(=O)(NCCn1ccnc1-c1ccccn1)c1cccs1 217863668 PRBQQGIAUODBKM-UHFFFAOYSA-N 334.426 1.985 0 40 EDAB O=C(NCCCNC(=O)c1ccc(F)cc1)NC1CCC(O)CC1 78644970 MUOKHJUENGTFAC-UHFFFAOYSA-N 337.395 1.548 0 40 EDAB CC(C)OCCS(=O)(=O)N1CCO[C@H](Cc2ccccc2)C1 183422313 DWBCJJYNUCILAC-MRXNPFEDSA-N 327.446 1.685 0 40 EDAB CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](C)C(=O)O)c1C 563957563 OICSYIWFZBWIAT-SNVBAGLBSA-N 328.390 1.806 0 40 EDAB CN(C)c1cnnc(N2CCN(C(=O)c3ccccc3F)CC2)c1 224307870 OWFNISGXEGTMKT-UHFFFAOYSA-N 329.379 1.644 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccc(Cl)s2)CCS(=O)(=O)C1 192153781 JMNXRZZKRRYXRM-VIFPVBQESA-N 336.866 1.978 0 40 EDAB CC(C)(C)c1nccc(N2CCC(C(=O)N3CCOCC3)CC2)n1 80768657 VNTNNHQUCCXCKV-UHFFFAOYSA-N 332.448 1.849 0 40 EDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@]1(O)CCc2ccccc21 77180641 QOUWTPZEROAGFM-FQEVSTJZSA-N 342.439 1.943 0 40 EDAB COCCOC1CN(S(=O)(=O)c2cc(Cl)cc(C(=O)O)c2)C1 576634164 BHEUJQJJPREGHU-UHFFFAOYSA-N 349.792 1.074 0 40 EDAB COc1cccc(NC(=O)NCc2nn(C)c3c2COCC3)c1OC 96104038 NNXXOFBMYIQTRY-UHFFFAOYSA-N 346.387 1.832 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)n1 96107552 KPIPYTDJLBLQPL-KSSFIOAISA-N 342.399 1.658 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 96073664 VQMAHXVRIYVMRE-QAPCUYQASA-N 342.399 1.658 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H]2Cc2cccnc2)cc1 96200463 UBZYGBQCLYTJAL-IRXDYDNUSA-N 348.424 1.457 0 40 EDAB C[C@H](C1CC1)N(C(=O)Cn1cc(C(=O)N2CCCC2)cn1)C1CC1 97212549 BGNPXNRCLTXMAA-CYBMUJFWSA-N 330.432 1.909 0 40 EDAB O=C(c1cccnc1)N1CCC2(CC1)CN(c1ccccn1)CCO2 96159001 ZQTMVWUHFVTJIP-UHFFFAOYSA-N 338.411 1.988 0 40 EDAB CCc1nncn1CCNC(=O)N1CCO[C@@](C)(c2ccccc2)C1 96470000 DADNXQDIZGKILL-GOSISDBHSA-N 343.431 1.798 0 40 EDAB Cc1nnc(N2C[C@@H](F)C[C@H]2CNCc2cnn3ccccc23)o1 583622983 DNVGRHPUGSHAHY-KBPBESRZSA-N 330.367 1.732 0 40 EDAB Cn1nnnc1-c1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 96427681 JMRCJXXWJZLFJB-UHFFFAOYSA-N 347.375 1.495 0 40 EDAB CC(C)NC(=O)N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 96260666 BDONYXKVSCQJDJ-HNNXBMFYSA-N 343.431 1.310 0 40 EDAB O=C(Cc1ccsc1)N1CCC2(CC1)CN(CC1CC1)C(=O)CO2 96201409 PJOOAORFFQDWRQ-UHFFFAOYSA-N 348.468 1.921 0 40 EDAB CN1CC2(CCN(S(=O)(=O)N(C)C)CC2)C[C@H]1COCC1CC1 96207878 BVOHDPJCHBKYRC-HNNXBMFYSA-N 345.509 1.006 0 40 EDAB CN(C)C(=O)CN1CCC(NC(=O)N2C[C@H]3CC=CC[C@H]3C2)CC1 96440593 HVLCSRDBHQKEIK-GASCZTMLSA-N 334.464 1.147 0 40 EDAB O=C(c1ccncc1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 96226516 DTMXRKSYVQFKPO-SFHVURJKSA-N 339.399 1.383 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 96426815 NYPYEPQKYGWNFT-JTQLQIEISA-N 332.326 1.673 0 40 EDAB c1ccc(N2CCOCC2)c(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1 245742652 GHUREAPQKQYROM-RTBURBONSA-N 332.444 1.903 0 40 EDAB COCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 247891251 TUFJQCMCRDPHPX-FAYLSGKYSA-N 344.411 1.704 0 40 EDAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCCN(CC(N)=O)C2)n1 257252777 JWCULATXKXMAOK-GFCCVEGCSA-N 346.460 1.958 0 40 EDAB CSc1ncc2c(N3CCN4C(=O)OCC[C@H]4C3)nccc2n1 585118241 HZPFDXJOGCURRA-JTQLQIEISA-N 331.401 1.778 0 40 EDAB Cc1ccc2c(CC(=O)N3C[C@@H](O)[C@H](N4CCCC4)C3)coc2c1 257283298 OXSCBNLGRUBSBA-IAGOWNOFSA-N 328.412 1.951 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1cnn(C)c1 257336776 YPZNBKASMKOROB-QGZVFWFLSA-N 328.416 1.834 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257319647 VTLVJUISKWCEPA-CYBMUJFWSA-N 349.460 1.368 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@@H](c2cccc(O)c2)c2c(O)n[nH]c2C[C@]1(C)O 252584870 DNCJJLVEVNKBAQ-YEWWUXTCSA-N 346.383 1.828 0 40 EDAB CCn1nccc1-c1nccnc1C[C@H]1CCCN(S(C)(=O)=O)C1 257264781 LVZWAIRUQIPLCW-CYBMUJFWSA-N 349.460 1.574 0 40 EDAB COC(=O)c1ccc(CN2CCS(=O)(=O)CC2(C)C)cc1F 284867609 DPIBTGMICNYRNA-UHFFFAOYSA-N 329.393 1.621 0 40 EDAB COc1c[nH]c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1=O 604418992 DGDCDNXBSVZWOG-UHFFFAOYSA-N 341.411 1.778 0 40 EDAB C[C@H]1C(=O)NCCCN1C(=O)c1ccn(-c2cc(F)cc(F)c2)n1 1615057410 CBFYFHHOQGNYCH-JTQLQIEISA-N 334.326 1.501 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N1CCc2noc(N)c2C1 1615586927 SHTGYCHDIJFZNP-UHFFFAOYSA-N 327.337 1.152 0 40 EDAB Cc1ccccc1C[C@H](C)C(=O)N1CCC2(CC1)OCC(=O)N2C 1615592412 TXMDULCFTKURLT-HNNXBMFYSA-N 330.428 1.981 0 40 EDAB COc1ccccc1OCC(=O)N1CC(S(=O)(=O)CC(C)C)C1 96121975 ZZNFIRLZVDKDSO-UHFFFAOYSA-N 341.429 1.356 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 585093563 VINNDGUGJXBHHN-CQSZACIVSA-N 349.518 1.728 0 40 EDAB CCOCC(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111321 OLCUXMFMNPGJQF-INIZCTEOSA-N 329.400 1.698 0 40 EDAB O=C(/C=C/c1cnc[nH]1)N1CCO[C@](CO)(Cc2ccccc2)C1 585289016 MGSNINRJZNIMCP-IPLHWJFFSA-N 327.384 1.256 0 40 EDAB Cc1cc(NCc2cccc(CO)n2)n2nc(C(F)(F)F)nc2n1 585142511 XPSILZHQQKDFLV-UHFFFAOYSA-N 338.293 1.951 0 40 EDAB Cc1ccccc1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC(=O)N(C)C 585108448 NYLHBQBXSCUTIA-HZPDHXFCSA-N 343.427 1.289 0 40 EDAB CC(C)C(=O)NC[C@@H]1CCn2nccc2CN1Cc1ccccn1 585097125 HQGYPPOSGDVQFH-INIZCTEOSA-N 327.432 1.825 0 40 EDAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)CCn3cncn3)[C@H]2O)cc1 585283670 CPXPSDDIASSBAX-QGPMSJSTSA-N 344.415 1.311 0 40 EDAB CC(C)(CNC(=O)COc1ccc2c(c1)CCC2)N1CCOCC1 47872689 XNMDKNVDIWXTPA-UHFFFAOYSA-N 332.444 1.781 0 40 EDAB Cc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1S(N)(=O)=O 58229939 UXSGSBJYGVWRFT-MRVPVSSYSA-N 340.323 1.548 0 40 EDAB CC(=O)Nc1cccc(OCCNC(=O)Nc2cc(C)nn2C)c1 69582348 KDJNLMXFSSFJQF-UHFFFAOYSA-N 331.376 1.887 0 40 EDAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccccn3)C2=O)C1 69570078 OVHDHJLBDOLUIK-YVEFUNNKSA-N 330.388 1.107 0 40 EDAB O=C(Nc1cccnc1)C(=O)N[C@H](Cn1cccn1)c1ccccc1 95401118 DKMWVKZEJFTPHY-MRXNPFEDSA-N 335.367 1.774 0 40 EDAB CO[C@@]1(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CCSC1 96097682 HCGMXPPVHQUQFF-CQSZACIVSA-N 345.442 1.258 0 40 EDAB COCCCN(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 106555330 ZMPRALAXNCSHFD-JONQDZQNSA-N 343.489 1.865 0 40 EDAB COCc1nccc([C@@H]2CCCN(Cc3nnnn3C3CC3)C2)n1 89420473 MXCLMHMLGYHYPA-GFCCVEGCSA-N 329.408 1.324 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)[C@H]1CCCN(CC(F)(F)F)C1 89505807 YRRXTNFXKQZJOV-ZDUSSCGKSA-N 346.397 1.970 0 40 EDAB O=C(C[S@@](=O)C1CCCC1)NCc1cccc(C(=O)NC2CC2)c1 89774482 SLZUNOIAEMJZPO-DEOSSOPVSA-N 348.468 1.886 0 40 EDAB COC(=O)CCNC(=O)c1ccc(I)c(C)c1 69534669 GYNQTJALXOLSGS-UHFFFAOYSA-N 347.152 1.893 0 40 EDAB CCNC(=O)C1CN(C(=O)c2ccc(Br)c(O)c2)C1 96486899 QRIQTEQKGRRSMU-UHFFFAOYSA-N 327.178 1.363 0 40 EDAB O=C(c1cocn1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1615153213 CJWPGUVUNMLRAF-UHFFFAOYSA-N 341.367 1.713 0 40 EDAB Cc1noc(C)c1CN[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(C(C)(C)C)nn1 1549161386 KNOQAVODOLADDA-SQWLQELKSA-N 349.435 1.099 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(=O)c2cc(Cl)ccc2o1 5346166 DYGLQKPRGAWMMK-SECBINFHSA-N 341.772 1.363 0 40 EDAB Cn1cc(C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)cn1 12852603 QOTNLGLIFGWVKB-UHFFFAOYSA-N 342.355 1.342 0 40 EDAB O=c1[nH]ncc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1Cl 14244046 ONVYKQZCSZHBRU-UHFFFAOYSA-N 345.790 1.908 0 40 EDAB COc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2cccnc2)cc1 15935363 ZIZIWQWVXLSWTR-DEOSSOPVSA-N 347.396 1.416 0 40 EDAB O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 5198901 ZKPCLUSBDPGCDC-WUXMJOGZSA-N 326.333 1.962 0 40 EDAB CCn1cc(S(=O)(=O)Nc2cccc(-c3nncn3C)c2)c(C)n1 19524686 DSMZHFRBNIJKLD-UHFFFAOYSA-N 346.416 1.808 0 40 EDAB CC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnn2cc(C)cnc12 19748977 HRNIAGQFWCYQEV-AWEZNQCLSA-N 329.404 1.559 0 40 EDAB Cc1cnc(C(=O)N[C@H]2CCCN(C(=O)COC(C)C)CC2)cn1 19749788 KNFOANRSUBVWQR-AWEZNQCLSA-N 334.420 1.321 0 40 EDAB CC1(C)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)C(=O)O)C=C1COC(=O)[C@@]12O 514288316 XOYLBZQBJFFPCE-LJYYHZRSSA-N 338.356 1.043 0 40 EDAB biogenic,in-vitro CCN1CCN(C(=O)C[C@H]2CSc3nc(C)c(C)c(=O)n32)CC1 14034783 FBGRRXSCWKZKIG-ZDUSSCGKSA-N 336.461 1.061 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)Cc1ccc(Br)c(O)c1 585121355 NBARDWGNYYHLNU-UHFFFAOYSA-N 341.205 1.434 0 40 EDAB CCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 16681667 ZDZJASCSRUFSCB-UHFFFAOYSA-N 335.223 1.206 0 40 EDAB Cn1c(CN2CCC(CCc3ccccc3)CC2)cc(=O)n(C)c1=O 11156066 UMGGVCYXPZNEGB-UHFFFAOYSA-N 341.455 1.929 0 40 EDAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CCCO1 27394277 QVTNHMKOACSJHW-GJZGRUSLSA-N 336.457 1.833 0 40 EDAB O=C1CN(NC(=O)COC(c2ccccc2)c2ccccc2)C(=O)N1 29018817 TUOIFRZBVXLWKF-UHFFFAOYSA-N 339.351 1.376 0 40 EDAB CN(C)Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 2037694217 UCQRBPJOFSTSBZ-HNNXBMFYSA-N 335.433 1.392 0 40 EDAB CC(C)N1C[C@@]2(COCC1=O)CN(Cc1ccc(F)cc1)CCO2 2037981025 QVBHVBLJFIAXHA-GOSISDBHSA-N 336.407 1.664 0 40 EDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)c2csnn2)cn1 1614933141 FYGYUMHCSPSCTD-LSDHHAIUSA-N 347.444 1.524 0 40 EDAB Cc1cc(N2C[C@@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)ncn1 2086866200 RBNHWIWMFCCOBD-CHWSQXEVSA-N 336.403 1.034 0 40 EDAB O=C(CN1C(=O)CCC1=O)Nc1ccsc1-c1nc(C2CC2)no1 206667458 UZZZXGKCXVOAFU-UHFFFAOYSA-N 346.368 1.763 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)C2CC2)cc1 206711745 DGCZTFAUOFOKFM-AWEZNQCLSA-N 328.390 1.304 0 40 EDAB CSc1ccc(CCC(=O)N2CC(N3C(=O)[C@@H]4C[C@H]4C3=O)C2)cc1 585388346 VUYHXJXDQNDZAU-HUUCEWRRSA-N 344.436 1.557 0 40 EDAB O=C(c1ccno1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147166 RYBSROBHCRBIML-SECBINFHSA-N 339.149 1.521 0 40 EDAB Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 11635318 WOPLZRYVWPXFQO-UHFFFAOYSA-N 347.352 1.664 0 40 EDAB C[C@H](Sc1nnc(-c2cccs2)n1C)C(=O)N1CCNC1=O 22005931 PDUYHSNDKHAJNL-QMMMGPOBSA-N 337.430 1.576 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)c1cc(C)cc(C)c1 30848442 VJTFYHZBIJXHES-OAHLLOKOSA-N 334.416 1.737 0 40 EDAB O=C(OCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(CO)cc1 50500290 UHXCTJIYRXDALN-HOTGVXAUSA-N 333.384 1.506 0 40 EDAB Cc1ccc([C@@](O)(CCNC(=O)c2cnccn2)C(F)(F)F)o1 40498038 DEEOQPPPHSEMBS-ZDUSSCGKSA-N 329.278 1.948 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2c[nH]ccc2=O)C1=O 40555042 HVWOZDAPRDJFIA-LLVKDONJSA-N 327.340 1.518 0 40 EDAB C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc2c(c1)OCCCO2 32282496 LXQALIOOELRKJO-NSHDSACASA-N 331.372 1.633 0 40 EDAB Cc1cc(N2CCN(c3ncc(Br)cn3)CC2)nc(C)n1 52075733 UVYYIUHIZTVPEK-UHFFFAOYSA-N 349.236 1.973 0 40 EDAB CCN1CCC(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 29455293 PQPLTDDGTIBBOF-UHFFFAOYSA-N 339.461 1.750 0 40 EDAB Cc1cccc(OCCNC(=O)c2cnc3n(c2=O)CCS3)c1 8367560 AZQWNDRTEVARFC-UHFFFAOYSA-N 331.397 1.466 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN1S(=O)(=O)c1ccccc1 29974403 GBQOBDZQWVOTLY-LLVKDONJSA-N 336.335 1.518 0 40 EDAB CN1CC(=O)N(C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O 32750836 ASGUMWURDDBOSS-VIFPVBQESA-N 333.171 1.627 0 40 EDAB CC(C)CNC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1 32776252 BTBQBRGXGJJJCC-NSHDSACASA-N 345.490 1.585 0 40 EDAB CC[C@H](C)[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1Cl)C(=O)O 3205668 BFVLJADCRQKHHY-CPCISQLKSA-N 349.792 1.816 0 40 EDAB Cc1ccc(-c2cc(C(=O)OCC(=O)N3CCCC3=O)[nH]n2)cc1 21752543 YOTQKBFENCJOKI-UHFFFAOYSA-N 327.340 1.691 0 40 EDAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1C[C@@H]1CCCO1 488305 ZDVIUYCBJXVZSX-SJCJKPOMSA-N 339.395 1.442 0 40 EDAB biogenic CCn1ncc(C(=O)Nn2c(C)nc3sc(C)cc3c2=O)c1C 2780422 ZIMBJOKVRMYWLG-UHFFFAOYSA-N 331.401 1.984 0 40 EDAB CCCCNC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2)c1=O 4898849 DMXLHHKKDQJUGY-UHFFFAOYSA-N 339.399 1.807 0 40 EDAB COC[C@H](C)NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 6876260 KPGKLGPYVLFFRM-NSHDSACASA-N 348.355 1.738 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2cc(C)on2)cc1 7823002 MELFAUAVMFVGKB-UHFFFAOYSA-N 338.385 1.655 0 40 EDAB Cn1ncc2c(=O)[nH]c(CN(Cc3cccc(F)c3)C3CC3)nc21 52832416 JBMUNRBJDLHDOA-UHFFFAOYSA-N 327.363 1.960 0 40 EDAB Cc1c([C@@H](C)NC(=O)CCNS(C)(=O)=O)oc2ccc(F)cc12 69440622 YFTNCWASPDGGMO-SNVBAGLBSA-N 342.392 1.997 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C 69417465 TVUVXMXFHRUVKX-PWSUYJOCSA-N 342.465 1.105 0 40 EDAB CCn1c(C)cc(C(=O)COC(=O)CN(C)c2ncccn2)c1C 23199734 KOMQEXPUXVUJBM-UHFFFAOYSA-N 330.388 1.777 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC(c2nnc3n2CCC3)CC1 47288662 NGXWCOQTIQVLJO-UHFFFAOYSA-N 329.404 1.778 0 40 EDAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1C 3015895 DNGLJUFPDDCRSD-UHFFFAOYSA-N 325.372 1.202 0 40 EDAB CC(C)N1C[C@H](C(=O)NCc2cccc(Cn3ccnc3)c2)CC1=O 24752771 JCJLSGGDCOTRMK-QGZVFWFLSA-N 340.427 1.805 0 40 EDAB COc1cc(C)c(CN(C)[C@H](C)C(=O)NC(=O)NC2CC2)cc1OC 24803583 NIPXVYJXCBCTEF-GFCCVEGCSA-N 349.431 1.821 0 40 EDAB C[C@H](NC[C@H]1CN(C)CCO1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 106787782 RAGOJZRZBLPWFR-XEZPLFJOSA-N 339.867 1.826 0 40 EDAB CC(=O)NC1(C(=O)N2CCO[C@@H](c3nc(C)n[nH]3)C2)CCC(C)CC1 76046703 WGPXBNZYUGTVPZ-CHHLVHLRSA-N 349.435 1.098 0 40 EDAB C[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)N1CCOCC1 25567977 RKYQMJULRQEXAP-SECBINFHSA-N 330.314 1.276 0 40 EDAB COc1cccc(CN(C)C(=O)CN(C)c2ncnc3[nH]cnc23)c1 56108533 IZNIAEAKALNNQS-UHFFFAOYSA-N 340.387 1.456 0 40 EDAB CC[C@H]1CN(Cc2cc(=O)n3cc(C)ccc3n2)CCN1C[C@H](C)O 107351116 GIQHMLNSLHAKLW-RDJZCZTQSA-N 344.459 1.280 0 40 EDAB CCn1c(C)cc(C(=O)N2CCN(c3nccc(OC)n3)CC2)c1C 57253880 XWWKMJYDCIRNNT-UHFFFAOYSA-N 343.431 1.886 0 40 EDAB O=C(NC1CCC(O)CC1)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 12565194 CFVPXYZXLLLHER-SEEARECTSA-N 329.400 1.641 0 40 EDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)NCCN1CCOCC1 57449232 XAKSTYPXOONZDG-LBPRGKRZSA-N 327.375 1.527 0 40 EDAB Cc1ccc(Cn2cnc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)n2)cc1 102015073 KCDNGGLMXIMIEC-AJNGGQMLSA-N 338.367 1.302 0 40 EDAB C[C@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)NC(N)=O 57813538 DQTUNJMDPLKYOL-VKHMYHEASA-N 329.329 1.188 0 40 EDAB CN(C)C(=O)CN1CCN(CCCOc2ccc(Cl)cc2)CC1 57996247 BXINNAMFYSNBRS-UHFFFAOYSA-N 339.867 1.815 0 40 EDAB CNC(=O)[C@H](C)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 44895413 JUIQCJGFADNDBH-AWEZNQCLSA-N 343.431 1.297 0 40 EDAB Cn1cc(C(=O)NCCOc2cccc3c2OC(C)(C)C3)ccc1=O 58208737 ATOSJXFMEUZNSA-UHFFFAOYSA-N 342.395 1.908 0 40 EDAB Cc1nc(C(=O)N[C@H](C)C(C)(C)C)nn1-c1nnc(C(F)(F)F)[nH]1 78985301 QZHBGCIAOMKRCE-ZCFIWIBFSA-N 345.329 1.877 0 40 EDAB COc1cc2c(cc1OC)-c1cc(OCCCO)nc(=O)n1CC2 2100262 DGVMDRUSUQUEFG-UHFFFAOYSA-N 332.356 1.245 0 40 EDAB biogenic CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(F)c2)C1 44942469 VKVNHWHDPKCKQR-GFCCVEGCSA-N 345.378 1.415 0 40 EDAB COc1ccc([C@@H](NC(=O)CCNC(N)=O)c2ccccc2)cc1 44916834 XTLCLOVJNFJAAZ-KRWDZBQOSA-N 327.384 1.959 0 40 EDAB COC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 12604613 AYEIQUOBNQFCMZ-UHFFFAOYSA-N 335.337 1.972 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@H]2c2ccccc2)cc1C(N)=O 58414696 GRDPVEMQZYNVQE-HNNXBMFYSA-N 346.408 1.930 0 40 EDAB C[C@H](CNC(=O)c1cnc(-c2ncccn2)s1)Cn1ccnc1 78986674 HQGWKZNADHHDHP-LLVKDONJSA-N 328.401 1.863 0 40 EDAB CCOC(=O)c1c(C)n(C)c2cc(S(=O)(=O)O)c(OC)cc12 2261175 VBMOIRQAKVGONM-UHFFFAOYSA-N 327.358 1.919 0 40 EDAB Cn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2)n(C)c1=O 12647826 VMNUBWSDHHNJET-UHFFFAOYSA-N 331.763 1.239 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 10753609 IGEVPMLFXQMYCL-MRXNPFEDSA-N 336.457 1.807 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@]2(C)Oc3ccccc3N=C2O)CC1 36354568 JZPMRMFXVBIDGW-QGZVFWFLSA-N 347.371 1.726 0 40 EDAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCOCC1 3358715 GEHXDAVTMYPYRA-AWEZNQCLSA-N 326.396 1.746 0 40 EDAB O=C(C1CCN(Cc2nnnn2-c2ccccc2)CC1)N1CCCC1 29146129 KBWNZPDCWCNNOZ-UHFFFAOYSA-N 340.431 1.497 0 40 EDAB C[C@H](C(=O)NCc1ccccc1OC(F)(F)F)S(C)(=O)=O 48253106 XTYXSJBORRWGAZ-MRVPVSSYSA-N 325.308 1.635 0 40 EDAB O=C(NCc1ccnc(-n2cccn2)c1)N[C@@H]1CCN2CCCC[C@H]12 48265145 GJFWYCMLIZJMNH-HZPDHXFCSA-N 340.431 1.693 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NCc1ccc(N2CCCC2)nc1 48236200 ZEOCAIALEDQFRF-CQSZACIVSA-N 328.420 1.766 0 40 EDAB NC(=O)[C@@H]1CCCN1CCCNC(=O)Cc1ccc2c(c1)CCCC2 69582691 YVESDIOFMNQCMB-SFHVURJKSA-N 343.471 1.564 0 40 EDAB CN1C(=O)C(Cc2ccc(Br)s2)C(=O)N(C)C1=O 3618113 XVJCMHKVGLBKEJ-UHFFFAOYSA-N 331.191 1.720 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)c3cncnc3C)CC2)n1 69518113 GCORGIRHXMCNJK-UHFFFAOYSA-N 342.403 1.245 0 40 EDAB CCc1c(C(=O)N2CCC[C@@H](C(N)=O)C2)cnn1-c1ccccn1 63666947 OZFAEGLGZDMUJZ-GFCCVEGCSA-N 327.388 1.167 0 40 EDAB COC[C@H](C)N1CCN(C(=O)[C@H](C)NC(=O)c2cccs2)CC1 69810715 YWTUQWLKHMFQGN-STQMWFEESA-N 339.461 1.046 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 69981009 OAGUSSDWAYCODE-FUHWJXTLSA-N 332.444 1.258 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)NCCCOC1CCCCC1 69976485 JICBGPXXMAUNCM-AWEZNQCLSA-N 335.452 1.038 0 40 EDAB Cc1cc(CN2CC3(CC[C@@H](CNC(=O)N4CCCC4)CO3)C2)no1 306143828 YNQXKZMYOMKQII-HNNXBMFYSA-N 348.447 1.769 0 40 EDAB C[C@H]1CN(CCNC(=O)c2cnc(-c3ccccc3)nc2)C[C@@H](C)O1 65402491 WQBMCTCWLPSHIX-GASCZTMLSA-N 340.427 1.983 0 40 EDAB COc1cc2c(cc1OC)CN(CCNC(=O)c1cc[nH]n1)CC2 65424113 OEOQBQZPBXHGFS-UHFFFAOYSA-N 330.388 1.215 0 40 EDAB CC(C)CC(=O)N[C@]1(C(F)(F)F)NC(c2ccccc2)=NC1=O 4452607 QIZPRFKGOOWMMR-AWEZNQCLSA-N 327.306 1.984 0 40 EDAB CN(CCNC(=O)c1ccc(N2CCCC2)nn1)Cc1ccccc1 65591941 QYXZGXUTOWKJRE-UHFFFAOYSA-N 339.443 1.939 0 40 EDAB Cc1cnn(CCC(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1 65505182 POVLAWXOMAMQLC-UHFFFAOYSA-N 333.823 1.979 0 40 EDAB CN1CC(=O)N(CCCC(=O)Nc2cccc3cccnc23)C1=O 14185138 ODADDGUDHNXHNJ-UHFFFAOYSA-N 326.356 1.848 0 40 EDAB C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 65623236 HQMBKNBJBHVUSO-NSHDSACASA-N 347.396 1.432 0 40 EDAB Cc1cn([C@@H]2C=C[C@H](COC(=O)c3ccccc3)O2)c(=O)[nH]c1=O 5423106 BKZQWZPYZIYYAQ-KGLIPLIRSA-N 328.324 1.156 0 40 EDAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(N)=O)CCCS3 6719359 YJMDQHFHXQPUNA-UHFFFAOYSA-N 344.396 1.341 0 40 EDAB Cc1ccc(Sc2nccn3c(=O)n(CC(N)=O)nc23)c(C)c1 67255746 MMZNQPOHGSUPQO-UHFFFAOYSA-N 329.385 1.144 0 40 EDAB Cc1csc(=O)n1CC(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 7073517 DINLJMDCXPSHEH-HNNXBMFYSA-N 346.408 1.781 0 40 EDAB CCc1nn(C)cc1CNC(=O)NCCc1ccc2c(c1)CCO2 93125464 CSMBEJPVHILBDY-UHFFFAOYSA-N 328.416 1.959 0 40 EDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccco1 7987189 BGRLZJKMVUPDGH-LLVKDONJSA-N 347.396 1.365 0 40 EDAB CN1CCO[C@H](C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)C1 81484140 JEIWKNIYSOBAQI-ROUUACIJSA-N 331.460 1.298 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCN2CCCC[C@H]2C1 71839899 FRNODTHUSDRACH-LBPRGKRZSA-N 348.428 1.262 0 40 EDAB CCn1cnnc1CNC(=O)Nc1ccc(Cn2cccn2)cc1 71832937 FKLFDUQFBZFVHB-UHFFFAOYSA-N 325.376 1.865 0 40 EDAB NC(=O)COc1ccc(CNC[C@H]2CCCN2c2cccnn2)cc1 71859935 MXZJLYMSPWCJHM-OAHLLOKOSA-N 341.415 1.099 0 40 EDAB CS(=O)(=O)NCCSc1nnc2c(Cl)cc(Cl)cn12 71884063 ODRLFHKKCZUIFS-UHFFFAOYSA-N 341.245 1.677 0 40 EDAB CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1noc2c1CCCC2 71889593 LNFRTESHFUWHSS-HNNXBMFYSA-N 341.411 1.983 0 40 EDAB COCCN1CCN(CC(=O)NCCc2ccsc2)C[C@@H]1C 71864786 ONUPAWUVPYTUNP-AWEZNQCLSA-N 325.478 1.059 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccc(N2CCCC2=O)cc1 71829752 UIRPTAHBDZXLJU-ZFWWWQNUSA-N 343.427 1.468 0 40 EDAB C[C@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)N1CCCC[C@H]1C 71904029 LGUGTCZTRJEHJL-OLZOCXBDSA-N 344.477 1.250 0 40 EDAB C[C@@H]1C(=O)NCCN1S(=O)(=O)Cc1ccccc1C(F)(F)F 71904715 QFZMCDITKMPFFL-SECBINFHSA-N 336.335 1.356 0 40 EDAB COc1ccc(F)cc1C(=O)C(=O)N1CCC[C@H](c2n[nH]c(C)n2)C1 83996329 DLUACSNSEWYTPA-NSHDSACASA-N 346.362 1.850 0 40 EDAB CN(C)Cc1nc(C(C)(C)NC(=O)c2cc(F)c(O)c(F)c2)no1 97140470 PEFDQXJKCXXSQU-UHFFFAOYSA-N 340.330 1.780 0 40 EDAB CC[C@H](NC(=O)CO[C@H](C)CC)c1cccc(S(N)(=O)=O)c1 97229548 NSXFZICEXKGNPT-RISCZKNCSA-N 328.434 1.716 0 40 EDAB C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1cnc(-c2ccccc2)n1 97230109 GGIIWYJYKAQJQT-ZBFHGGJFSA-N 327.432 1.744 0 40 EDAB CCn1cc(C(=O)N=c2[nH]cc[nH]2)c(=O)c2cc3c(cc21)OCO3 95478894 ZXJORZLVWPBJAX-UHFFFAOYSA-N 326.312 1.147 0 40 EDAB CC(C)CCC[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCOC2)C1=O 95439408 BPDHLIJTQMSBAS-BLLLJJGKSA-N 325.409 1.028 0 40 EDAB CN(Cc1ccccc1)[C@@H]1CCN(c2nnc(Cl)cc2C(N)=O)C1 95406111 RTDBJSDCNHRAFQ-CYBMUJFWSA-N 345.834 1.940 0 40 EDAB Cc1cccc(C(=O)N[C@@H](C(=O)N2CCO[C@H](C(=O)O)C2)C(C)C)c1 95425352 CGFLDRKZXQDOPA-LSDHHAIUSA-N 348.399 1.061 0 40 EDAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCOC[C@H]1CCO 95451157 MACBOFFKWLDNPD-LLVKDONJSA-N 335.791 1.954 0 40 EDAB COc1ccc(-c2nnc(CN3CCC[C@H]3C(=O)N(C)C)o2)cc1 95946695 BCLJNQDZVYBBGY-AWEZNQCLSA-N 330.388 1.798 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 95997742 GSYIFFFJRLUPJI-AWEZNQCLSA-N 331.420 1.055 0 40 EDAB O=C(NCCOCC(F)(F)F)c1ccc(-c2ccco2)[nH]c1=O 75125265 VRCJJKWISVUIOF-UHFFFAOYSA-N 330.262 1.944 0 40 EDAB Cc1noc([C@@H](NC(=O)C2CCN(c3ncccn3)CC2)C(C)C)n1 89718515 XYXFNMOMVBNXMM-AWEZNQCLSA-N 344.419 1.898 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cn1 89756575 PRLUVRKAPKQVPV-YPMHNXCESA-N 325.390 1.290 0 40 EDAB CO[C@H](CNC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1)C(C)C 89791336 OBFREJPFQFBQOF-NWDGAFQWSA-N 325.375 1.935 0 40 EDAB O=C(CNCC1CCN(CCO)CC1)N1CCC[C@H]2CCCC[C@H]21 89818632 XQTMIRISSBTASP-QZTJIDSGSA-N 337.508 1.462 0 40 EDAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H](CCO)C1 89834955 ATBWBKQAKFJVSZ-MSOLQXFVSA-N 332.444 1.508 0 40 EDAB CCC(=O)N1CC[C@H](NCc2c(C)nn(CCO)c2C)[C@@H](CC)C1 89948798 HQVTZKSSWATQRA-RDJZCZTQSA-N 336.480 1.619 0 40 EDAB CCCCN(CC)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 24970789 PBJQQFMCZBSZPE-OAHLLOKOSA-N 334.395 1.894 0 40 EDAB CS(=O)(=O)c1ccc(N2CCCN(c3ccncc3)CC2)nc1 1548453239 VEMPENNFSSUUQL-UHFFFAOYSA-N 332.429 1.597 0 40 EDAB CCN1CCN(C(=O)N[C@H](C)c2ccc(OC)cc2OC)CC1=O 1548453592 QXMSLMYQKMOMNM-GFCCVEGCSA-N 335.404 1.639 0 40 EDAB Cc1cccc(S(=O)(=O)NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 42313483 WIYBETBYSGMJMT-UHFFFAOYSA-N 346.364 1.445 0 40 EDAB CCC[C@@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 38859517 UQJFGWBVOJNZEM-RISCZKNCSA-N 326.418 1.518 0 40 EDAB CCc1nnc(CN2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)o1 548336290 FKRXVEWUFMKKMB-OAHLLOKOSA-N 335.433 1.634 0 40 EDAB CC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O 217663171 LZJNNPABPAVNCD-GHMZBOCLSA-N 344.433 1.908 0 40 EDAB CCc1noc(CN(C)C(=O)[C@H](C)n2nnc(-c3ccccc3)n2)n1 79935569 PCJFNYHEALHLLM-NSHDSACASA-N 341.375 1.505 0 40 EDAB Cc1nc2c(c(=O)n1C)CN(C(=O)c1ccccc1[C@H]1CCNC1)C2 72130738 QKVOJJROSQYWMT-ZDUSSCGKSA-N 338.411 1.322 0 40 EDAB CC(C)c1nnc(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)s1 530160276 IUYPUVVATUYZBE-LLVKDONJSA-N 333.417 1.513 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(CN)CO)cc1 218047432 JPTPFODCTOUOQV-FGTMMUONSA-N 331.437 1.872 0 40 EDAB CN(C)S(=O)(=O)N(C)CCOC(=O)c1cccc2ccccc12 78715130 IERDINNFIFVMAS-UHFFFAOYSA-N 336.413 1.735 0 40 EDAB CC(C)[C@H](N)C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1 79393250 LSNFTBNQWICYQC-INIZCTEOSA-N 333.432 1.887 0 40 EDAB CCCNc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217629287 VGJRRYNYHKPFTD-NSHDSACASA-N 342.417 1.664 0 40 EDAB CON(C)C(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C 32978614 PYFWOSWODNMUBH-LBPRGKRZSA-N 334.825 1.663 0 40 EDAB COc1ccc(CC(=O)N2CCC(c3nncn3C)CC2)cc1OC 30858430 KXSSYQLTDCYKRQ-UHFFFAOYSA-N 344.415 1.781 0 40 EDAB CC(=O)Nc1cccc(-n2nnnc2SCCn2cccn2)c1 60539560 KOAXILQSTLOKFE-UHFFFAOYSA-N 329.389 1.610 0 40 EDAB CCn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)cn1 72237879 VIUSETKJNCTWOV-HOTGVXAUSA-N 328.372 1.440 0 40 EDAB CC(C)n1cnnc1CNC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1 79001399 WVWYMUVPNSEMSM-NSHDSACASA-N 349.822 1.947 0 40 EDAB Cc1ccc([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)nc1 72363987 VTBRYDNSVOBFBU-CQSZACIVSA-N 325.434 1.146 0 40 EDAB CCOc1cc(C(=O)NCC(=O)N2CCOCC2)cc2occc12 72240117 YIJZAPQFBPORQY-UHFFFAOYSA-N 332.356 1.420 0 40 EDAB Nc1ncc(Cl)cc1S(=O)(=O)N1CC2(CCC2)[C@@H]2COC[C@H]21 566844600 AVINOWUDNHMYKP-GHMZBOCLSA-N 343.836 1.507 0 40 EDAB Cc1nc(CCC(=O)NCc2nccn2C)cc([C@@H]2CCCNC2)n1 72366881 YOUQIMGXYSYHDI-CQSZACIVSA-N 342.447 1.235 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)NC(=O)CO2 40457607 HJFIVVKMFRFEFS-VIFPVBQESA-N 329.312 1.368 0 40 EDAB C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79393189 QIUUAXIZZLEWAW-XJKSGUPXSA-N 331.416 1.736 0 40 EDAB Cc1nc(C(C)(C)NS(=O)(=O)c2cc(C(=O)O)oc2C)no1 567798208 KMFMFVWBKSMCMB-UHFFFAOYSA-N 329.334 1.191 0 40 EDAB CO[C@@H](CNS(=O)(=O)c1cn(C)cn1)c1ccc(Cl)s1 225707015 FNCLZOGIWBDUEQ-QMMMGPOBSA-N 335.838 1.801 0 40 EDAB COc1ccccc1-c1nc(CN2C[C@H](O)[C@@H](N(C)C)C2)cs1 569775441 WCZOFQSCTADOPV-GJZGRUSLSA-N 333.457 1.925 0 40 EDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccco2)cc1 224200858 DMUCEMOIAHZKGB-UHFFFAOYSA-N 338.385 1.339 0 40 EDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2cccnc2)cc1 223286574 NFZGGYMDEOWSRF-RMKNXTFCSA-N 331.397 1.319 0 40 EDAB COc1cccc(NC(=O)C(=O)NCc2ccc(OC)c(OC)c2)c1 48654421 KOTBCBTXENVCTA-UHFFFAOYSA-N 344.367 1.967 0 40 EDAB O=C1NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)ccc21 226860496 HPXYBGUUJNCKFU-UHFFFAOYSA-N 330.365 1.091 0 40 EDAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC(C)C 223737737 LPHJWSOZADCLTB-AWEZNQCLSA-N 328.434 1.764 0 40 EDAB CC(C)(O)C(C)(C)OB(O)c1cnc(Cl)n1[C@@H]1CCCCO1 199349684 KOWQGHANGUZUND-NSHDSACASA-N 330.621 1.489 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)C2 97199030 LUUUDGMTSSFTLN-CYBMUJFWSA-N 339.461 1.370 0 40 EDAB CCN1CCCC[C@H]1C(=O)NCCc1ccc(S(C)(=O)=O)cc1 96426578 VHCUEOYETPFZEJ-INIZCTEOSA-N 338.473 1.623 0 40 EDAB Cc1cc(C(=O)N2Cc3ccnn3C[C@H](COCC3CC3)C2)no1 96189116 PWTAALQCRUNTLC-CQSZACIVSA-N 330.388 1.878 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)Cn1c(C)nc2ccc(F)cc2c1=O 96117933 VWYIXRBZGJQFDL-UHFFFAOYSA-N 343.362 1.833 0 40 EDAB C[S@@](=O)c1ncn(C[C@H](O)c2ccc(OC(F)(F)F)cc2)n1 95438953 WSSDUSMSNBUBGI-MGUXCZDKSA-N 335.307 1.648 0 40 EDAB Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1cccc2nn[nH]c12 97103915 AAQJOUQHTUESAR-INIZCTEOSA-N 335.367 1.580 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccc(OCc3nnnn3C)c2)C1 96101340 SCFQNHFDWOCBMC-BETUJISGSA-N 329.404 1.907 0 40 EDAB 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1.381 0 40 EDAB Cc1cc(=O)n(CC(=O)NCc2cncc(-c3cccs3)c2)cn1 225667296 ABTYZDHUXDVYMH-UHFFFAOYSA-N 340.408 1.992 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCC[C@@H](Oc2ccncn2)C1 575609739 OTQXKXILULZHCX-GFCCVEGCSA-N 337.376 1.848 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(F)c(F)c1 10493369 YYPYOHKYHVOIPI-UHFFFAOYSA-N 331.278 1.607 0 40 EDAB CCN1CCN(CC(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)CC1 20029226 VGDSUKIVSBEAIE-UHFFFAOYSA-N 340.471 1.999 0 40 EDAB COC(=O)c1sc(S(=O)(=O)N2CCCC2)c(C(=O)OC)c1C 74771 KMEJYUYQYBCWAJ-UHFFFAOYSA-N 347.414 1.414 0 40 EDAB COC(=O)[C@@](NC(=O)c1ccco1)(C(C(C)=O)C(C)=O)C(F)(F)F 100150106 MWXBWVKWSSXGEW-ZDUSSCGKSA-N 349.261 1.278 0 40 EDAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 40468896 MWCUIXDUCWJTCI-DOMZBBRYSA-N 337.441 1.588 0 40 EDAB CC1(C)NC(=O)N(CCCn2cccc(C(F)(F)F)c2=O)C1=O 40515571 SBVVJVRLGQHLMY-UHFFFAOYSA-N 331.294 1.588 0 40 EDAB CCOCCCNC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40513708 HVFLZKYBWKUKEJ-LBPRGKRZSA-N 326.828 1.889 0 40 EDAB Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3)n2C)o1 31842135 POKXGXJNCCOTPZ-UHFFFAOYSA-N 330.373 1.904 0 40 EDAB CCN1CC[C@H](CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 101689354 ZVADKWXVMGSPSQ-CQSZACIVSA-N 326.400 1.304 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 798700 CBHHKJPWFAEDLN-UHFFFAOYSA-N 327.402 1.659 0 40 EDAB O=C(COC(=O)c1cncc(Br)c1)NC[C@@H]1CCCO1 2658381 BFGPMNLEILDNCI-NSHDSACASA-N 343.177 1.296 0 40 EDAB Cc1cc(CNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F 11984764 ZWXLOTVSZIJAIA-UHFFFAOYSA-N 341.342 1.454 0 40 EDAB CCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1 6203470 PJUJUUGSFYQNKZ-UHFFFAOYSA-N 342.461 1.931 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 69870001 ONICJZYSVLEUHP-MRXNPFEDSA-N 342.443 1.330 0 40 EDAB CCOC(=O)c1c(NC(=O)COC(=O)COC)sc(CC)c1C 6638498 KYJOJJMFKPMBDJ-UHFFFAOYSA-N 343.401 1.924 0 40 EDAB CCN(CC)C(=O)[C@@H](C)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 32925697 FXUKVNIUGBQQIQ-CNELAYHGSA-N 332.400 1.860 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)Nc2c(C)nn(C)c2C)n1 69444139 CDOWWGHTPNBNHE-OAHLLOKOSA-N 345.451 1.348 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCc2nc(C)cs2)c1 41594011 WWKMWHINOVBDNH-UHFFFAOYSA-N 328.415 1.947 0 40 EDAB CCOC(=O)C1=NN[C@@]2(CC(=O)N(c3cccc(Cl)c3)C2=O)C1 547352 NAZMZDLBYBPSLH-OAHLLOKOSA-N 335.747 1.255 0 40 EDAB CCN(Cc1c(C)nn(CC)c1C)C(=O)c1nn(C)cc1C(=O)O 12358028 BNRUQMKZVIRKJD-UHFFFAOYSA-N 333.392 1.614 0 40 EDAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CN2CCCC2=O)c1 22468190 ITWJJCQZSMNQPW-GFCCVEGCSA-N 332.356 1.382 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CN1CCNC(=O)[C@H]1C(C)C 104062574 UDYPLRWKRDSGMM-OAHLLOKOSA-N 339.823 1.744 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)c1 970782 MYPXXWAXKIKCLM-UHFFFAOYSA-N 325.368 1.688 0 40 EDAB Oc1ccc(N2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)cc1 23624654 XDGCXLFDHUKUGF-ZWKOTPCHSA-N 336.432 1.071 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 24724155 CTTPQWWCDQGOQZ-JKSUJKDBSA-N 346.427 1.739 0 40 EDAB Cn1c(=O)n(CC(=O)NCCc2ccc(F)cc2)c2ccccc21 25008811 KOPKLLBDQXFIPU-UHFFFAOYSA-N 327.359 1.838 0 40 EDAB C[C@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)N1CCc2ccccc21 25140360 NUGLFNXMHUQAKQ-HIFRSBDPSA-N 330.432 1.345 0 40 EDAB O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(F)c2)c1 102604663 JVJGDQUWIYUOTE-WCVJEAGWSA-N 341.342 1.737 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(NC(C)=O)cc2)C1 25380873 DLYWXKKOXCUFBB-OAHLLOKOSA-N 332.400 1.989 0 40 EDAB CC(C)Cc1nnc([C@H](C)N[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)o1 107058661 AMILEJREWCWSNW-RWMBFGLXSA-N 344.481 1.589 0 40 EDAB CCc1nc(CC(=O)N2CCC[C@H]2C(=O)NCC(F)(F)F)cs1 56133337 FTHFCIUWIFHRPX-JTQLQIEISA-N 349.378 1.918 0 40 EDAB Cc1sc2ncn(CC(=O)N3CCO[C@H]4CCC[C@H]43)c(=O)c2c1C 56193640 YULYACIHIQEGBF-OLZOCXBDSA-N 347.440 1.855 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@H]1N1CCOCC1 107354586 LLWBIMIXFTWVHX-ZMSDIMECSA-N 333.432 1.418 0 40 EDAB C[C@@H](COc1ccc(F)cc1F)NC(=O)N1CC[C@@H](C(N)=O)C1 56897855 BIEXNROKIGNIIR-VHSXEESVSA-N 327.331 1.249 0 40 EDAB CN(CC(=O)NC[C@@]1(O)CCCc2ccccc21)[C@H]1CCSC1 108365294 AYYBENRATIDSFJ-YJBOKZPZSA-N 334.485 1.764 0 40 EDAB Cc1cccc(NC(=O)CCNC(=O)[C@H]2COc3ccccc3O2)n1 58177963 RIKDZQPMLGLRGH-OAHLLOKOSA-N 341.367 1.675 0 40 EDAB CC(=O)NCCNC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 48100977 LTBZPTSBUZWZER-CYBMUJFWSA-N 346.431 1.959 0 40 EDAB C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)[C@@H]1CCCO1 58245429 LKIBFGFJWBUHCM-MFKMUULPSA-N 347.458 1.473 0 40 EDAB CC(C)N(CC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1 58201348 AOYSTROXAJOCQY-UHFFFAOYSA-N 339.461 1.005 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)Nc1ccc(-n2cncn2)nc1 58283329 DQTUOKSGGAHZJN-UHFFFAOYSA-N 326.364 1.448 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)N[C@H](CCO)C(C)(C)C)c1 58245260 MWBKDORRVDLSQZ-CYBMUJFWSA-N 332.408 1.796 0 40 EDAB COCCn1nc(C(=O)N[C@H](C)Cc2ccccc2Cl)ccc1=O 44940842 BZZCDHMLBBSXDV-GFCCVEGCSA-N 349.818 1.904 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)[C@@H](C)S(=O)(=O)C(C)C)c1 58343005 KCKGDQRVWIAFIQ-CQSZACIVSA-N 340.489 1.966 0 40 EDAB COc1c(CNCc2ccnc(-n3ccnc3C)c2)c(C)nn1C 58392536 QIBRJPFSMWLPRR-UHFFFAOYSA-N 326.404 1.916 0 40 EDAB Cc1nn(C)c(N(C)C)c1CN[C@@H](C(=O)NC1CCCC1)C(C)C 58428083 MIWZWGKZJQGBHD-MRXNPFEDSA-N 335.496 1.968 0 40 EDAB COc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1C(=O)O 58519249 ZKCPHLPARTYWDM-UHFFFAOYSA-N 349.364 1.981 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(NC(C)=O)c(Cl)c1 10943564 MXRTXGKYACFAQK-QMMMGPOBSA-N 326.784 1.945 0 40 EDAB CCc1ccccc1NC(=O)CNC(=O)CN1C[C@@H](C)OC[C@@H]1C 48249588 WXKTUCZKRWUNCF-UONOGXRCSA-N 333.432 1.413 0 40 EDAB NC(=O)CN(Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@@H]1CCCO1 48276097 LMOTXHKPIUPMMJ-INIZCTEOSA-N 348.834 1.992 0 40 EDAB C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(Cl)cc1Cl 12776709 PQTQMIGKZUEABE-QMMMGPOBSA-N 342.182 1.721 0 40 EDAB COc1ccc2c(C)nc(Nc3nc(CC(=O)O)c(O)[nH]3)nc2c1 408978658 AFVWYBZKUPRDBL-UHFFFAOYSA-N 329.316 1.746 0 40 EDAB O=C(CCCN1C(=O)CNC1=O)OCc1nnc(-c2ccccc2)o1 12777855 DSYPOOAVNZYQPP-UHFFFAOYSA-N 344.327 1.112 0 40 EDAB C[C@@]1(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)CCS(=O)(=O)C1 12808358 UEGJDMZRTATOKJ-IWAYRVGRSA-N 345.424 1.579 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(-n2cnnn2)cc1 3416990 PRZSZNSROZFWMD-BETUJISGSA-N 343.387 1.609 0 40 EDAB Nc1nc(N)nc(COC(=O)c2ccccc2NCc2ccco2)n1 8487734 JTEBEBAFENCYPG-UHFFFAOYSA-N 340.343 1.598 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)C1=O 3597124 YAVBKFMDNIQBDH-RISCZKNCSA-N 335.379 1.969 0 40 EDAB CCOC(=O)N1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 12904290 ZQQSIRSZWLFIHL-UHFFFAOYSA-N 347.371 1.285 0 40 EDAB O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccc(=O)[nH]n1 69568032 SUMDQEWMAYOJGP-UHFFFAOYSA-N 325.353 1.963 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2[nH]c3c(c2c1)CCCC3 12978933 IWRPVDZKFVYAOX-GFCCVEGCSA-N 332.425 1.964 0 40 EDAB CCn1nc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1C 28577827 ZKBZEYIZXDBGEL-UHFFFAOYSA-N 337.401 1.727 0 40 EDAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCCN(c3cccnn3)CC2)n1 69946787 OADLTEKGGRGACH-INIZCTEOSA-N 342.447 1.980 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N[C@@H](C)[C@@H](C)n3cncn3)cnc12 69696814 JMJDIIOICPAQPN-QWHCGFSZSA-N 340.387 1.062 0 40 EDAB Cc1ccccc1-n1cc(C(=O)N[C@H](C)CN2CCCC2=O)cn1 69696047 WNEKLQOYKABMAU-CQSZACIVSA-N 326.400 1.921 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1nnc(-c3occc3C)o1)CC2 69697661 ARAPJLYSJWPHSU-NSHDSACASA-N 328.376 1.897 0 40 EDAB Cc1cnn([C@H](C)[C@H](C)NCC2=NS(=O)(=O)c3ccccc3N2)c1 69737425 WSVFBJRGTIEPEJ-QWHCGFSZSA-N 347.444 1.944 0 40 EDAB COCC[C@@H](NC(C)=O)C(=O)N1CCCC[C@H]1Cn1cc(C)cn1 69703106 QALCKMSRCWDCEN-JKSUJKDBSA-N 336.436 1.114 0 40 EDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 6078787 SEDBDKHYRAOJAB-DJJJIMSYSA-N 343.427 1.627 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCN2CCC(C)CC2)[nH]n1 65415690 NQXABURLDKQDJT-UHFFFAOYSA-N 344.463 1.889 0 40 EDAB C[C@@H](CNC(=O)NCCCn1cncn1)N1CCc2sccc2C1 65447294 LRHPMPRIWHTZEY-ZDUSSCGKSA-N 348.476 1.476 0 40 EDAB COc1ccccc1[C@H](CNC(=O)N[C@H](C)Cn1cccn1)N(C)C 65440773 OVQXWTUZILRKGB-ZBFHGGJFSA-N 345.447 1.882 0 40 EDAB CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc[nH]c1=O 65594166 UCIYSIXUANBONV-UHFFFAOYSA-N 328.372 1.545 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)Nc2ncccn2)CC1 65552046 UTQYONXCIUIEBE-OAHLLOKOSA-N 339.399 1.354 0 40 EDAB C[C@H]1CN(CN2C(=O)C(=O)c3cc(Br)ccc32)CCO1 14112621 WTSBPASPMLZZSI-VIFPVBQESA-N 339.189 1.657 0 40 EDAB COc1ccc(Br)cc1CNC[C@@H]1CN(C)CCO1 65611225 OCMKDTZJAPWDLY-CYBMUJFWSA-N 329.238 1.878 0 40 EDAB CC(C)(C)NC(=O)c1ccc(NCC(=O)NC(=O)NC2CC2)cc1 24257977 ZTWIVHUPUYKPRJ-UHFFFAOYSA-N 332.404 1.615 0 40 EDAB CCn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccccc1C 7044373 JNAGCQYYZRENFS-UHFFFAOYSA-N 345.428 1.917 0 40 EDAB COc1ccc(/C=C/C(=O)NC(=S)N2CCN(C)CC2)cc1OC 19723144 RTWRZDUTFMUVCY-FNORWQNLSA-N 349.456 1.366 0 40 EDAB C[C@@H](CO)NC(=O)NC[C@H](C)Oc1cccc(Br)c1 80546598 IKCGTMGUCJTXHR-UWVGGRQHSA-N 331.210 1.896 0 40 EDAB CC(C)Cn1c(S[C@@H](C)C(=O)N(C)C)nnc1N1CCOCC1 7777231 YAJAXMJKXMMVKO-LBPRGKRZSA-N 341.481 1.340 0 40 EDAB COc1cc(C)ccc1OCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 72269043 OQIDJXNBVTVHPY-JKSUJKDBSA-N 348.443 1.440 0 40 EDAB COc1ccc(CCNC(=O)c2cc(=O)c(OC)c[nH]2)cc1OC 16968336 CFDIAAOKSFCBAL-UHFFFAOYSA-N 332.356 1.373 0 40 EDAB biogenic O=C(c1coc(Br)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 78789006 XISMQKXUDHUMOW-NWDGAFQWSA-N 343.221 1.713 0 40 EDAB COc1ccc2c(C)c(CC(=O)Nc3nc[nH]n3)c(=O)oc2c1OC 9420282 SGIJLWJZTBCOOK-UHFFFAOYSA-N 344.327 1.418 0 40 EDAB C[C@@H](OC(=O)c1nc(Br)cnc1N)C(=O)NC(C)(C)C 72312502 WXZQQVALHHRRED-ZCFIWIBFSA-N 345.197 1.281 0 40 EDAB O=S(=O)(N[C@H]1CCCN(CCCn2ccnc2)C1)c1ccccc1 96493103 XOZJRQOTHZSCKL-INIZCTEOSA-N 348.472 1.716 0 40 EDAB COc1ccc(NC(=O)CC[C@H]2CCCCO2)cc1S(N)(=O)=O 71894580 ANXSYKXHIRSYPX-GFCCVEGCSA-N 342.417 1.630 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N(C)C)C2)c(C)c1F 96501616 XWRZTTLWASXYFS-RYUDHWBXSA-N 330.425 1.904 0 40 EDAB COC(=O)CSCCC(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 78869418 SWNAJCCMMDPIDA-CYBMUJFWSA-N 339.461 1.734 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 9726236 BGOSADISTUOVDZ-CYBMUJFWSA-N 335.429 1.915 0 40 EDAB O=C(CCC1CCC1)NCC1CCN(S(=O)(=O)C(F)F)CC1 95407966 ALAXYDZAGMGLHK-UHFFFAOYSA-N 338.420 1.947 0 40 EDAB c1ccc(OC[C@H]2CCOC23CN(c2ccc4nncn4n2)C3)nc1 306144450 ZFQWLVFRPGIZOR-CYBMUJFWSA-N 338.371 1.194 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc[nH]n3)CC2)c(C)c1 95982274 PYHZTVDOEWOERA-UHFFFAOYSA-N 334.445 1.533 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CC[C@@]2(O)CCCC[C@H]2C1 79473859 BJEHFCFOIMOFDF-DJJJIMSYSA-N 341.411 1.619 0 40 EDAB Cc1csc(CCCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 89705496 KKXBSTZBCZIMRH-OLZOCXBDSA-N 336.461 1.837 0 40 EDAB Cc1csc(=O)n1Cc1nnc2n(C)c(=O)c3sccc3n12 89702622 OBZGVJDXGJIVGR-UHFFFAOYSA-N 333.398 1.223 0 40 EDAB O=C(N1CCOCC1)N1CCN(Cc2nc3ccc(F)cc3o2)CC1 89807283 PVMNLBVGKAOVPT-UHFFFAOYSA-N 348.378 1.537 0 40 EDAB O=C(Nc1nc2c(s1)COCC2)c1ccccc1-n1cnnn1 75443253 WUYBGYFRIZUSPZ-UHFFFAOYSA-N 328.357 1.444 0 40 EDAB COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)n(C)c(C)cc1=O 1547206004 YKZJZZQMARSVPO-GFCCVEGCSA-N 347.367 1.809 0 40 EDAB NCC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 36296641 SSKCZBQFYKEGEJ-UHFFFAOYSA-N 339.280 1.870 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=S)Nc1ccc(C)cc1 36848057 VMRHZJDAEYDLDK-UHFFFAOYSA-N 329.491 1.953 0 40 EDAB Cc1cnn(C)c1S(=O)(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 518526343 XTTMCGFNASUKMG-GFCCVEGCSA-N 341.364 1.362 0 40 EDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)c1cc3cccnc3[nH]1)C2 519536225 COAURKOYRDECID-ZDUSSCGKSA-N 339.399 1.347 0 40 EDAB Cc1c(CCC(=O)N2CCCc3cc(C(N)=O)ccc32)cnn1C 120761251 TXLSWLQBWSGTRS-UHFFFAOYSA-N 326.400 1.739 0 40 EDAB COCCn1ccc2ccc(NC(=O)CN3CCCNC3=O)cc21 537818017 HMRUNMUGFTYRNC-UHFFFAOYSA-N 330.388 1.642 0 40 EDAB COCC(=O)N1CCC[C@@H]1c1cc(Nc2nncs2)nc(C)n1 72360296 BSFLGVBPGDTYPF-LLVKDONJSA-N 334.405 1.690 0 40 EDAB CS[C@@H]1CCC[C@@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 74065953 LXQHDPVZAXMYIH-JKSUJKDBSA-N 348.516 1.994 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CCCN(C[C@H](O)C(F)(F)F)C2)nc1 181762866 CMYJTDYEKAHLCR-RYUDHWBXSA-N 331.338 1.964 0 40 EDAB CN1CCC[C@H](Cc2cncc(C(=O)N3CCC(C(N)=O)CC3)c2)C1 72365913 GNSHACXRBZYLRH-CQSZACIVSA-N 344.459 1.303 0 40 EDAB Cc1cc(C)cc(NC(=O)C(=O)NCC(=O)Nc2ccccc2)c1 193412657 AGOFMOFFDMHVPD-UHFFFAOYSA-N 325.368 1.997 0 40 EDAB COCC(=O)Nc1nn2c(-c3ccc(OC)c(OC)c3)nnc2s1 41076504 XPTSPSDDUFJDFH-UHFFFAOYSA-N 349.372 1.455 0 40 EDAB Nc1ncc2c(n1)CCN(C(=O)Cc1cnccc1C(F)(F)F)C2 569000961 ULROPEYDUIWCDC-UHFFFAOYSA-N 337.305 1.600 0 40 EDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2)s1 222979689 MYEZTXYUNRRJIF-UHFFFAOYSA-N 326.403 1.933 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)[C@H]3COc4ccccc4O3)C2)n1 41123595 HQFCISZDQJOQBT-SWLSCSKDSA-N 329.356 1.924 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@@H](C)c1c(C)nn(C)c1C 195530484 PYKBFQANJIRVOT-ATONCRMDSA-N 333.432 1.844 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(CCn2ccnc2)CC1 75158032 XCTOQOTZOJCXKC-UHFFFAOYSA-N 343.387 1.462 0 40 EDAB O=C1c2cnc(N3CCOCC3)nc2CN1Cc1ccccc1F 41122931 IOKZVTOGBQGVQC-UHFFFAOYSA-N 328.347 1.608 0 40 EDAB CN(C)C(=O)c1ccc(S(=O)(=O)NCC(F)(F)C(F)F)cc1 194820669 PWLTZRFIMFEIGE-UHFFFAOYSA-N 342.314 1.567 0 40 EDAB CCC(=O)c1cccc(S(=O)(=O)N2CC[C@H](c3nc[nH]n3)C2)c1 573318610 HEVLBIKSMFEFLG-LBPRGKRZSA-N 334.401 1.576 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 96041384 UGZQQTYXRCVWRN-ULQDDVLXSA-N 340.383 1.460 0 40 EDAB Cc1nc(C)n(C[C@@H]2CC[C@]3(COCCN(Cc4ccco4)C3)O2)n1 96160670 IUDPEGIDSJSLEE-ROUUACIJSA-N 346.431 1.938 0 40 EDAB O=C(NCC(=O)N1CCc2ccccc2[C@@H]1CO)c1cccs1 97097732 UFJWCCPDLAUSCK-AWEZNQCLSA-N 330.409 1.596 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cnccn1)C2 96065020 DPBVLBJZRJBCRS-WMZOPIPTSA-N 348.447 1.066 0 40 EDAB CCS(=O)(=O)N1CCO[C@@]2(CCCN(Cc3ccccn3)C2)C1 96226753 VFEOTWCEDNOLLG-MRXNPFEDSA-N 339.461 1.098 0 40 EDAB COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccc(C)s3)C[C@H]2O1 96058183 QZXVFVJKYBAOFR-NUEKZKHPSA-N 338.473 1.799 0 40 EDAB Cc1nc(C)n(C[C@H]2CC[C@@]3(COCCN(c4ncccn4)C3)O2)n1 96100467 DAEGBTZNKNZTTR-NVXWUHKLSA-N 344.419 1.140 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3nccs3)Cc3nccn3C2)n1 96188703 CJZYFFRGOATADR-CQSZACIVSA-N 343.460 1.880 0 40 EDAB C[S@](=O)c1ncn(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)n1 95438956 WSSDUSMSNBUBGI-ZQJOYCHOSA-N 335.307 1.648 0 40 EDAB O=C(N1CCCN(c2ncccn2)CC1)C(F)(F)C1(O)CCC1 95449326 JLCCGUIJNVXCLQ-UHFFFAOYSA-N 326.347 1.066 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)cc1F 96410780 LRQWPEIOMBYORD-HNNXBMFYSA-N 347.394 1.225 0 40 EDAB Cc1ccc(CN2CC[C@@H]3O[C@@H](C(=O)N4CCN(C)CC4)C[C@@H]32)cc1 96183658 YLCHDZUADFEPCZ-GBESFXJTSA-N 343.471 1.501 0 40 EDAB CNS(=O)(=O)c1ccc(NCCCn2cnc3ccccc32)nc1 97103000 YQLKDYYYAIVWSF-UHFFFAOYSA-N 345.428 1.842 0 40 EDAB C[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccncc1 96444580 TVFWPZFMKJMASF-INIZCTEOSA-N 339.443 1.866 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CCN(Cc3nccs3)C2)CC1 96157455 UEZKWBHMCCCMTG-CQSZACIVSA-N 335.473 1.994 0 40 EDAB O=C(c1ccco1)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 96202313 NPVNBYPULDLABJ-QGZVFWFLSA-N 328.372 1.439 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCc2cnn(C)c2)cc1N(C)C 96472559 FNLFTUDRVRUYNH-UHFFFAOYSA-N 336.461 1.706 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)c2cnn(C)c2C2CC2)[C@@H]1c1cccnc1 583621007 HVKJUELYWMCBQK-PBHICJAKSA-N 339.399 1.394 0 40 EDAB COc1ncc(Cl)c(N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 583617761 ONQCKZYFXCAXOF-YPMHNXCESA-N 333.779 1.918 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)C[C@]1(C)CC1(Cl)Cl 583651618 POCPBJXCLBLIOC-JTQLQIEISA-N 331.265 1.358 0 40 EDAB Cn1cc(N2CC[C@]3(CCCN(Cc4ccncc4)C3)C2=O)cn1 96074090 IKZZXOWDAAZZAX-SFHVURJKSA-N 325.416 1.834 0 40 EDAB Cn1cnc(C(=O)N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 96072494 SNBMBQTYEFKAQG-PBHICJAKSA-N 328.372 1.268 0 40 EDAB O=C(c1ncccn1)N1CC2(C1)OCC[C@H]2COc1ccccn1 247807059 BYBITDPCGXLDDE-ZDUSSCGKSA-N 326.356 1.182 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 247809075 DEFCQKCPAFYWRR-CQSZACIVSA-N 349.456 1.620 0 40 EDAB COc1ccsc1S(=O)(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 245339256 RNJUNXYANXIEFJ-XQQFMLRXSA-N 342.486 1.862 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@]1(COC)C(=O)O 242495406 GDXYXEFNQZLUFE-NFAWXSAZSA-N 328.386 1.313 0 40 EDAB Cc1ncsc1CN1Cc2cncn2[C@@H](C(=O)N2CCCCO2)C1 248046852 QQQBTEUARUKMOS-CQSZACIVSA-N 347.444 1.759 0 40 EDAB C[C@@H](C(=O)O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 51638987 SUKDPSAUFATMCG-JTQLQIEISA-N 341.205 1.680 0 40 EDAB Cc1cc(O)nc(N2CCC(NC(=O)COc3ccccc3)CC2)n1 253537345 PMOIXIXZEWBFRQ-UHFFFAOYSA-N 342.399 1.655 0 40 EDAB Cn1nc2c(cc1=O)CN(C(=O)c1ccnc(C(F)(F)F)c1)CC2 585084056 INMMOEXLJGNTEF-UHFFFAOYSA-N 338.289 1.393 0 40 EDAB CCN(C)C(=O)Cn1nc(Br)c(Br)n1 585086764 RMUDRQGHZHIIRB-UHFFFAOYSA-N 325.992 1.281 0 40 EDAB Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)n1 257311269 UITAFHZIASAVHD-AWEZNQCLSA-N 338.415 1.879 0 40 EDAB CN(C[C@@]1(O)CCN(c2ccccn2)C1)C(=O)CCCn1ccnc1 257299313 RPNDXQVSYWIGHN-SFHVURJKSA-N 343.431 1.158 0 40 EDAB COc1ncc(Br)cc1S(=O)(=O)N(C)CC1CC1 585115360 XOGANXAMCSOUAA-UHFFFAOYSA-N 335.223 1.883 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cncnc3)CC2)C[C@H](O)C1(C)C 257328996 XHYKESRYZIZOJT-HNNXBMFYSA-N 346.431 1.091 0 40 EDAB CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)Cc1cccnc1 257204739 AWCVPRANVGOEBE-LJQANCHMSA-N 340.427 1.509 0 40 EDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccnc(C)n2)c1 257209668 BRJYKYBATQWVHA-KRWDZBQOSA-N 325.416 1.291 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3cncnc3)CCN2C(C)=O)cc1 257234252 GSUANBYHAVQAEV-QGZVFWFLSA-N 340.383 1.531 0 40 EDAB CN(C)c1ncc(Br)c2c1CN(Cc1cnon1)CC2 1615614851 JHZMJESZKDCOHK-UHFFFAOYSA-N 338.209 1.851 0 40 EDAB COCCO[C@@H](C)c1nnc2n1CCN(C(=O)OC(C)(C)C)C2 1616038368 KJCCHJWUWDMQOR-NSHDSACASA-N 326.397 1.753 0 40 EDAB Cc1nc2ccc(O)cc2cc1C(=O)NC[C@@H](C)N1CCOCC1 1616042145 MDGDITAZFXPYSO-GFCCVEGCSA-N 329.400 1.699 0 40 EDAB CCCOc1cccc(CNC(=O)CN[C@@]23CCC[C@@H]2NCC3)c1 1615059194 WZVNUBUEURTLJX-PKOBYXMFSA-N 331.460 1.966 0 40 EDAB CC(C)c1ncncc1C(=O)N1CCN(C)C2(CCOCC2)CC1 1615588573 CYAGGHVSSSDVHZ-UHFFFAOYSA-N 332.448 1.927 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@@H](Oc3cncc(C)n3)CCO2)C1 575406199 XVZQZCKHTSSLQS-ZDUSSCGKSA-N 341.433 1.137 0 40 EDAB Cc1ccc(NC(=S)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 575421033 MGEKJKDPDLXZSB-CYBMUJFWSA-N 327.475 1.658 0 40 EDAB Cn1cc(C(=O)NC[C@H]2CCCN2c2ccnc(C3CC3)n2)cn1 585132722 PIFIHZLRTAZDSM-CQSZACIVSA-N 326.404 1.486 0 40 EDAB CCCC[C@@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)C(=O)OC 585141722 ZECFSTCWYITZKR-GFCCVEGCSA-N 348.852 1.809 0 40 EDAB CO[C@]1(COc2ccccc2)CCN(C(=O)CCn2nnnc2C)C1 585275589 DKOUHOJDUPEWPT-QGZVFWFLSA-N 345.403 1.068 0 40 EDAB O=C(CN1CC[C@@](O)(COc2ccccc2)C1)Nc1ccccn1 585275511 BXVOPQFZKMOAOA-SFHVURJKSA-N 327.384 1.536 0 40 EDAB Cn1cc(-c2nc(=O)c3[nH]c4ncc(Br)cc4c3[nH]2)cn1 141831234 UAIMRIUSFMTVER-UHFFFAOYSA-N 345.160 1.962 0 40 EDAB CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)Nc2ccncn2)n1 585140440 DRRITQUUTJQKAT-JTQLQIEISA-N 347.379 1.680 0 40 EDAB CCCCC(=O)N1CCn2cc(CC(=O)N3CCOCC3)nc2[C@H]1C 585097156 GFCKHNCQQFYTGO-CQSZACIVSA-N 348.447 1.378 0 40 EDAB Cc1ccccc1S(=O)(=O)N1CC(F)(F)C[C@]2(CCNC2=O)C1 585093134 DOLSOCHDCVZIEZ-CQSZACIVSA-N 344.383 1.531 0 40 EDAB O=C(C1CC(O)C1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 585108819 NXPWYMYNKQLAHD-LMNGEROHSA-N 332.400 1.128 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1ccccc1OC)C2 585103656 QQSPKXWBCVZTHN-OAHLLOKOSA-N 339.457 1.721 0 40 EDAB Cc1ccc2nc(CNC(=O)NC[C@@H](C)Cn3cccn3)cn2c1 52559368 JNOVEIIRZCSWHU-CQSZACIVSA-N 326.404 1.975 0 40 EDAB COc1cccc(CN(C)[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 71794644 GCJMZVAGOOQJPT-ZDUSSCGKSA-N 333.432 1.239 0 40 EDAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC1CCOCC1 71978262 OXDMGRJKWUGFJV-UHFFFAOYSA-N 327.340 1.438 0 40 EDAB COc1ccccc1CCNC(=O)CN1CCC[C@H]1c1noc(C)n1 75573186 BQZYQGFJXHIRFN-HNNXBMFYSA-N 344.415 1.882 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)[C@@H]4C[C@H]4C)[C@H]3C2)cc1 19211709 JISCTOQYRNRPJY-ZLVKTETGSA-N 348.468 1.776 0 40 EDAB CO[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 5433765 NFKOVFYQYUVPBA-ZJIFWQFVSA-N 331.347 1.876 0 40 EDAB biogenic,in-vitro O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 5774196 MUGQNKRQJPOELU-WQLSENKSSA-N 325.280 1.762 0 40 EDAB COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@@H](CO)C3)[nH]n2)c1 12143827 TWWBPIREUZSKLP-LLVKDONJSA-N 331.372 1.548 0 40 EDAB Cc1nn(C)cc1[C@H](C)NS(=O)(=O)c1cccc2nsnc12 14248102 WQAWIWXYHCZMHY-VIFPVBQESA-N 337.430 1.773 0 40 EDAB CC1=CC(=O)N2C(=NC(NCc3ccco3)=N[C@H]2c2cccnc2)N1 14607555 YRDYBAYRZAXSPK-OAHLLOKOSA-N 336.355 1.524 0 40 EDAB Cc1ccccc1N[C@@H]1SC(=O)N(CCN2C(=O)CCC2=O)C1=O 14904402 HJJOTQGSCRFERB-CQSZACIVSA-N 347.396 1.577 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)C)cc1Cl 16575428 VWUUZOPRSVCEHC-UHFFFAOYSA-N 334.825 1.494 0 40 EDAB Cn1cc(CN2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)cn1 19290678 HMUSXRYJNNMXEQ-NSHDSACASA-N 341.462 1.055 0 40 EDAB Nc1cc(-c2ccco2)nn(CC(=O)NCc2cccs2)c1=O 19342446 ZFYGOFFRVFYZPI-UHFFFAOYSA-N 330.369 1.463 0 40 EDAB c1cnc(N2CCC[C@H](CNC3CCC4(CC3)OCCO4)C2)nc1 161706582 LOTDMLLDGBMVJA-OAHLLOKOSA-N 332.448 1.968 0 40 EDAB CC[C@@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@H]1O 253387332 CJDRUOGAGYHKKD-XNBGQMOSSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)C5CCC5)C[C@H]4C3)nn12 1888844602 MUZNXDHIVYLFNY-ZIAGYGMSSA-N 326.404 1.127 0 40 EDAB Cc1nc(N2CCN([C@H](C)C(=O)NC(C)C)CC2)c2ccncc2n1 1888906826 JXBLFSCTVGRSQI-CYBMUJFWSA-N 342.447 1.368 0 40 EDAB COCC(=O)N1CCC[C@@H](c2cnc(-c3c(C)n[nH]c3C)cn2)C1 1848355485 YVYNQRMFWJYVHP-CYBMUJFWSA-N 329.404 1.836 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)NCCc2cccs2)CC1 26280899 ZFNXUVJUSFIZQG-UHFFFAOYSA-N 331.463 1.014 0 40 EDAB O=C1SCCN1CC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 29249558 QERSOMDRGUYLLB-GFCCVEGCSA-N 349.460 1.837 0 40 EDAB COCCN[C@H]1CSC2(C1)CN(C(=O)CC1CCOCC1)C2 2056223919 HLHXYPCPBBDADB-CQSZACIVSA-N 328.478 1.126 0 40 EDAB CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3cc[nH]c3)CCO2)C1=O 1565551110 AORGKMGIEGODKV-VQIMIIECSA-N 339.395 1.482 0 40 EDAB O=C(c1cccs1)N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 1565550820 GGFPYUYMFKFZSM-UHFFFAOYSA-N 340.470 1.825 0 40 EDAB COc1ccc(NC(=O)CSc2cc(C)[nH]c(=O)n2)c(OC)c1 4314625 VUVQGOCLNWHBEZ-UHFFFAOYSA-N 335.385 1.826 0 40 EDAB COc1ccc(N2C[C@H](NC(=O)NCC(C)C)CC2=O)cc1OC 5201999 LOQNLIFXKNQMLK-GFCCVEGCSA-N 335.404 1.764 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3c2CCC3)cc1 9202544 NVSOKTWYFPUSDX-UHFFFAOYSA-N 346.412 1.468 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCN(c2cnsn2)CC1 585148781 HPVUOGUJORJUBW-UHFFFAOYSA-N 326.385 1.444 0 40 EDAB CN1CCN(C(=O)N2CC[C@@H](Oc3cnc4ccccc4n3)C2)CC1 618254591 BEZZOGWGISYWQJ-CQSZACIVSA-N 341.415 1.450 0 40 EDAB O=C(NCCCN1CCOCC1)c1c(O)nc2ccccc2c1O 8716745 NAHXNGVXGSRKIJ-UHFFFAOYSA-N 331.372 1.098 0 40 EDAB C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 40466694 INPUKBYTROXSGB-QWRGUYRKSA-N 331.821 1.753 0 40 EDAB COc1cc(OC)cc(C(=O)NCC(=O)Nc2nnc(C)s2)c1 40489001 HYDAERFMTGPOBN-UHFFFAOYSA-N 336.373 1.232 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)c(F)c1 46121039 FJSJDUOKVOCDST-ZDUSSCGKSA-N 347.390 1.211 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NCc2ccccc2C)no1 46155093 HPWIRPIFLXFUTB-CYBMUJFWSA-N 336.413 1.911 0 40 EDAB COC(=O)CCC(=O)Nc1ccc(OC(=O)CCC(=O)OC)cc1 306055 MKMWTPLRXOTREU-UHFFFAOYSA-N 337.328 1.437 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@H](n2ccnc2C)C1 69899195 KGMFWTMFGILEAO-OCCSQVGLSA-N 327.450 1.568 0 40 EDAB CNS(=O)(=O)c1cnccc1N1CCN(c2cccc(C)c2)CC1 481323 NYORUPMMRYPOFV-UHFFFAOYSA-N 346.456 1.625 0 40 EDAB COc1ccccc1CNC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 2631135 GIZGMHOITMLGOG-KBPBESRZSA-N 328.368 1.263 0 40 EDAB CCOc1ccccc1N(CC(=O)N1CCCCC1)S(C)(=O)=O 379505 ZYSRRVYOQFAXOB-UHFFFAOYSA-N 340.445 1.864 0 40 EDAB CCC[C@@H](C)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)=O 2041403 PDKAAOCPTMAORX-LLVKDONJSA-N 341.433 1.310 0 40 EDAB O=C(Nc1ccc2c(c1)OCCO2)c1cnc2n(c1=O)CCS2 2455852 LRLHJXGEWZKWSM-UHFFFAOYSA-N 331.353 1.373 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1csc(NC(C)=O)n1)CC2 72302271 FQHKJZNJTNIOKD-UHFFFAOYSA-N 333.417 1.236 0 40 EDAB Cc1csc(=O)n1CCC(=O)OCc1nc(-c2cccnc2)no1 21487454 UDPFFRLTPATMSG-UHFFFAOYSA-N 346.368 1.797 0 40 EDAB Cc1cnc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cn1 3513287 BIJNMUSGNAYOTK-LLVKDONJSA-N 343.339 1.740 0 40 EDAB COc1cccc(C(=O)Oc2ccc(-n3cnnn3)cc2)c1OC 32995917 VGESIRWZUONDBD-UHFFFAOYSA-N 326.312 1.899 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@@H]1CCN(c2ccccc2)C1 41329344 WKMZUUASBZIKNC-AWEZNQCLSA-N 328.420 1.624 0 40 EDAB CCC(=O)N1CCN(CCCS(=O)(=O)c2cccc(C)c2)CC1 97380071 GMACNFTUUKFIML-UHFFFAOYSA-N 338.473 1.713 0 40 EDAB CC(=O)N1CCC(NC(=O)Cn2cnc3cc(C)c(C)cc32)CC1 60817029 YAWOKNPFYDMIDL-UHFFFAOYSA-N 328.416 1.780 0 40 EDAB CN(CCc1cnc2nc(N)nc(O)c2n1)c1ccc(C(=O)O)cc1 8627701 MIUZSVWSDAHDND-UHFFFAOYSA-N 340.343 1.085 0 40 EDAB O=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1nc2ncccn2n1 2809020 YCBVKDVKDVHDKG-UHFFFAOYSA-N 338.306 1.156 0 40 EDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)N(C[C@@H]1CCOC1)C1CC1 47101424 OCVNUABDUKYZIQ-GJZGRUSLSA-N 345.447 1.656 0 40 EDAB CN1N=C(C(=O)N2CCCN(Cc3ccccc3)CC2)CCC1=O 22611134 DEZHPDXSWFNUGJ-UHFFFAOYSA-N 328.416 1.329 0 40 EDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)/N=c1/sccn1C 104675432 NSPUTIVDEIPNPN-WATITHJCSA-N 342.424 1.743 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccnc(-n2cncn2)c1 54705954 PBDGBWBSSVZPOO-HIFRSBDPSA-N 329.404 1.987 0 40 EDAB CC(=O)c1ccc(NC(=O)CCN2CCN(C(=O)C3CC3)CC2)cc1 24595570 LRQGCINDURLCFD-UHFFFAOYSA-N 343.427 1.772 0 40 EDAB Cc1ccsc1CNC(=O)C1=NN(c2ccccc2)C(=O)CN1 24696149 QLRAXAAAYKGTNE-UHFFFAOYSA-N 328.397 1.623 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccccn2)C1=O 55517167 RJBOICZHALPFQY-KSSFIOAISA-N 342.399 1.466 0 40 EDAB Cc1nn(C)c(Cl)c1CN1CCN(Cc2nccn2C)[C@@H](C)C1 106786546 HVKGXPAWLVNMOB-LBPRGKRZSA-N 336.871 1.822 0 40 EDAB COC(=O)C1(C(=O)OC)CCC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 1442026 FDKRHTPAJMMPHI-ZDUSSCGKSA-N 335.312 1.764 0 40 EDAB O=C(CN1CCC[C@@H]1C(=O)O)Nc1ccc(Br)cn1 35303633 AEDLKWKPVJKUSJ-SECBINFHSA-N 328.166 1.332 0 40 EDAB CCOc1ccc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)nn1 97082570 OIFPPKYLLAJLHT-JTQLQIEISA-N 332.326 1.770 0 40 EDAB CN1CCO[C@@H]2CN(Cc3cc(O)ccc3Br)C[C@H]21 108369434 WCXRHLUFAUZBTM-ZIAGYGMSSA-N 327.222 1.670 0 40 EDAB Cc1ccc(N2C(=O)C[C@H](N3CCC4(CC3)OCCO4)C2=O)cc1C 104346081 QCPBSWBAASZXIL-INIZCTEOSA-N 344.411 1.774 0 40 EDAB CN1CC[C@@H](C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1=O 44328677 BKTHSJCMXYKOLN-OAHLLOKOSA-N 349.862 1.853 0 40 EDAB Cc1csc(C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n1 57876285 QQOQFTYYSSUOSA-UHFFFAOYSA-N 326.447 1.753 0 40 EDAB CCSc1nc2[nH]c(CSc3nnc(N)s3)cc(=O)n2n1 100071825 SQAMGZNPEOGZEO-UHFFFAOYSA-N 341.447 1.256 0 40 EDAB CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(C(=O)COC)CC1 47996843 CRGKMUQQORDXNW-SFHVURJKSA-N 347.459 1.387 0 40 EDAB O=C(CN1CCC(n2cncn2)CC1)NC(=O)Nc1ccccc1 58213055 YFPDUGGKCXYLMT-UHFFFAOYSA-N 328.376 1.263 0 40 EDAB Cc1cc(NC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)no1 58210461 WNQCLKYMCZUYHR-UHFFFAOYSA-N 346.391 1.390 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)N(C)CC2CCCC2)cc1 58221495 LZHKBOLCDMUFSP-UHFFFAOYSA-N 339.461 1.926 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1C 44947886 XUARDYONOIXPAI-UONOGXRCSA-N 325.430 1.761 0 40 EDAB Cc1nc(CCNC(=O)NC[C@@H](C(C)C)N2CCOCC2)cs1 44953625 SFRCDHZAVBHZGQ-HNNXBMFYSA-N 340.493 1.650 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)Cn2nc(C)cc2C)C1 44971690 RFDXCXRHKRVIMK-MLGOLLRUSA-N 335.452 1.446 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)Nc1cccc(-n2nccc2C)c1 58331699 HACKTYJNZVPAGJ-AWEZNQCLSA-N 347.444 1.909 0 40 EDAB Cc1nn(C)c(N(C)C)c1CN[C@H]1CCCN(c2ncccn2)C1 58406118 JRWXXHNEAPJHPH-AWEZNQCLSA-N 329.452 1.343 0 40 EDAB O=C(Nc1nccs1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 68509993 KHLPMOCNVJKVKO-OLZOCXBDSA-N 347.396 1.854 0 40 EDAB CCOC(=O)N1CCN(C(=O)Nc2ccc(C(=O)NC)cc2C)CC1 48184401 XSYUOPDFJIWATL-UHFFFAOYSA-N 348.403 1.661 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N1CCC(C)CC1 48244617 HEAJJMHKBMQLIP-UHFFFAOYSA-N 326.400 1.941 0 40 EDAB COC[C@@H](C)NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 408616438 GIQRTUARBNJJIE-GFCCVEGCSA-N 328.434 1.221 0 40 EDAB O=c1cc(CN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)nc2sccn12 48251065 JESYLMVKZHJSKZ-GJZGRUSLSA-N 349.456 1.916 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)N(C[C@H]1CCOC1)C1CC1 48232143 JREPYHKTZVXIKK-CYBMUJFWSA-N 333.436 1.715 0 40 EDAB Cn1c(COC(=O)c2ccccc2C(F)(F)F)cc(=O)n(C)c1=O 11298890 YTFGOBMGPXETCY-UHFFFAOYSA-N 342.273 1.460 0 40 EDAB COc1cccc(CN(C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 45654917 UZYOGAXWXOSZRU-ZDUSSCGKSA-N 326.418 1.271 0 40 EDAB COc1cc(NC(=O)[C@H](C)OC(=O)c2cnc(C)cn2)cc(OC)c1 11480970 MURSBNFFASCCBZ-NSHDSACASA-N 345.355 1.986 0 40 EDAB CC(C)CN(CC(=O)N1CCOCC1)C[C@H](O)c1ccc(F)cc1 69975235 ODRANHONDSYCQN-KRWDZBQOSA-N 338.423 1.676 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)N1CCc2ccccc21 69922065 BAEAXPYVDPTBGK-HNNXBMFYSA-N 325.416 1.579 0 40 EDAB O=C(CNC(=O)c1ccccc1)NC[C@@H]1COc2ccccc2O1 3436920 BTXAYJGDASZQFI-CQSZACIVSA-N 326.352 1.373 0 40 EDAB COCCCCN1C(=O)[C@@H](n2cnnn2)[C@H]1c1ccc(OC)cc1 62582209 CJOGTRMNTLJMLU-CABCVRRESA-N 331.376 1.233 0 40 EDAB Cc1nc2cc(F)cc(C(=O)N3CCN(C[C@H](C)O)CC3)c2nc1C 69978912 WOHCTFJZRXKJMI-NSHDSACASA-N 346.406 1.524 0 40 EDAB Cn1cc(C(=O)OCCn2nc3ccccn3c2=O)c(C(C)(C)C)n1 92286828 HXPQCQMNCHZNOX-UHFFFAOYSA-N 343.387 1.384 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 8755721 HJXDQELYBVOGHR-PWSUYJOCSA-N 342.392 1.441 0 40 EDAB O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCCO2 13027847 VXAUZAFUIHOAKI-NSHDSACASA-N 327.358 1.086 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)Nc1cccc2nonc12 13629453 BMWIAQXUOQINCK-UHFFFAOYSA-N 335.323 1.962 0 40 EDAB CC(C)[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCCC1=O 65531493 MVIBXUOWDJFBOZ-SFHVURJKSA-N 346.427 1.764 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)c1cn(-c2ccccc2Cl)nn1 65577450 IVKUMTJRUKIWQA-UHFFFAOYSA-N 349.822 1.907 0 40 EDAB CN(CCN1CCOCC1)C(=O)C[C@H]1Sc2ccccc2NC1=O 65550706 QJMQGEQWKKRRAO-OAHLLOKOSA-N 349.456 1.280 0 40 EDAB COCc1nnc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)s1 4502989 MHMUNXKLMICCBJ-UHFFFAOYSA-N 341.414 1.405 0 40 EDAB COCc1nnc(NC(=O)C2CCN(c3ncccn3)CC2)s1 71286685 YOBZXGZQDYVIHG-UHFFFAOYSA-N 334.405 1.330 0 40 EDAB CCN1C(=O)C[C@@H](N2CCC(Nc3ccc4c(c3)OCO4)CC2)C1=O 4708568 WGNZEQRSUNWVLC-CQSZACIVSA-N 345.399 1.439 0 40 EDAB Cc1cc(C)c(CNC(=O)c2ccc(Cn3cccn3)o2)c(=O)[nH]1 72280301 DBQRVYQZWBIUTH-UHFFFAOYSA-N 326.356 1.760 0 40 EDAB Cn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccco1 5862063 JCDIBIGWKWYXEL-UHFFFAOYSA-N 337.405 1.792 0 40 EDAB COCCn1c(N)c(C(=O)CSc2cccc(C)c2)c(=O)[nH]c1=O 67008727 ARBYFVNZEFSRQE-UHFFFAOYSA-N 349.412 1.049 0 40 EDAB CNC(=O)c1ccccc1NCC(=O)NC(=O)Nc1ccccc1F 15362864 BJDLGIKFKPQNPY-UHFFFAOYSA-N 344.346 1.946 0 40 EDAB O=C(c1ccc[nH]1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005302 JIJLXTGKRYRXQC-CYBMUJFWSA-N 325.434 1.481 0 40 EDAB O=C(NCCN1CCCCC1)[C@@H]1CCCN1C(=O)Cc1ccccc1 67481771 OLOBCCFUAKITSX-SFHVURJKSA-N 343.471 1.822 0 40 EDAB Cc1cccc(C(=O)N2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)n1 306127453 FYYGNIYIAJNDFM-SQWLQELKSA-N 339.399 1.379 0 40 EDAB CS(=O)(=O)[C@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1 96098089 PUPVTORSFFWNOH-HNNXBMFYSA-N 337.441 1.380 0 40 EDAB O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc[nH]c1 68323330 DEWDYNSRPKOSBJ-UHFFFAOYSA-N 347.440 1.845 0 40 EDAB C[C@@H](NCc1nnc2n1CCCC2)C(=O)NCCc1ccc(F)cc1 72299688 BLLUBWHIWRQOSW-CYBMUJFWSA-N 345.422 1.591 0 40 EDAB COc1ccc([C@@H]2C[C@H]2NC(=O)NCC(C)(C)N2CCOCC2)cc1 69442769 IZGDRIMODAEDOE-DLBZAZTESA-N 347.459 1.961 0 40 EDAB Cc1nnc2n1CCN(C(=O)CN1C(=O)CCCc3ccccc31)C2 69665384 IDGKKGSCVGWOSG-UHFFFAOYSA-N 339.399 1.298 0 40 EDAB COC(=O)CN(CCN1CCOCC1)C(=O)CCc1ccc(C)cc1 69737807 KHDVTMUUWZJQLI-UHFFFAOYSA-N 348.443 1.261 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2ccc(Br)o2)CC1 69778450 HODLAUXWCGAZOF-UHFFFAOYSA-N 331.210 1.571 0 40 EDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 69741250 HCCPBVNMFMSSBA-JTQLQIEISA-N 325.365 1.061 0 40 EDAB CCOC(=O)[C@H](N)CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 19830903 YWBAIGPKLVDRPY-VXGBXAGGSA-N 340.376 1.081 0 40 EDAB biogenic CNS(=O)(=O)c1ccccc1N1CCN(c2cccc(C)n2)CC1 97163288 NVQBLLCJTBWHOV-UHFFFAOYSA-N 346.456 1.625 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)Nc3n[nH]c(C)n3)CC2=O)cc1 71799399 RSZDNPUHNZHPNU-LBPRGKRZSA-N 329.360 1.109 0 40 EDAB CCCc1c(C(=O)N[C@@H]2CCN(C(N)=O)C2)cnn1-c1ccccc1 97107311 YOABZEKLBLNVMT-CYBMUJFWSA-N 341.415 1.708 0 40 EDAB CCN1CCC(NC(=O)c2cc(F)ccc2N2CCN(C)CC2)CC1 71893244 RWYMKLZZSUSCNX-UHFFFAOYSA-N 348.466 1.792 0 40 EDAB CC(C)(C)c1cc(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)[nH]n1 71856796 DONJNPXBPWGEFP-UHFFFAOYSA-N 336.417 1.536 0 40 EDAB O=C1C[C@H](NCc2cnc(N3CCCC3)nc2)CN1c1ccccc1 71832879 RVDNOAADYKDIHA-INIZCTEOSA-N 337.427 1.972 0 40 EDAB CC[C@H](C(N)=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 71856514 HWQWSXSJVHNODC-LLVKDONJSA-N 335.433 1.180 0 40 EDAB CN(CC(=O)N1CCCC1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 71877578 HYXWPPGYSVGMPP-HNNXBMFYSA-N 347.463 1.466 0 40 EDAB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(OC)cc1 84736322 MQACWRBMIVFGBV-ZBFHGGJFSA-N 326.462 1.845 0 40 EDAB NS(=O)(=O)CCNC(=O)C1(Cc2ccc(Cl)cc2)CCCC1 95404115 SNLIOVHRRQHUBR-UHFFFAOYSA-N 344.864 1.848 0 40 EDAB COc1cccc(/C=C/C(=O)N2CCOC[C@@H]2c2noc(C)n2)c1 95468255 JREWGKDBHXMKJT-LQYUOIDQSA-N 329.356 2.000 0 40 EDAB CN(CC(=O)NCc1ccc(C(=O)O)cc1)C(=O)c1cccs1 78355224 ZFHHCJDRNPUMCU-UHFFFAOYSA-N 332.381 1.835 0 40 EDAB CCN(Cc1nc(-c2ccsc2)no1)[C@@H]1CCS(=O)(=O)C1 78720290 ZLNIRAPUEPERHE-LLVKDONJSA-N 327.431 1.807 0 40 EDAB O=C(CN1CCn2c(nnc2C2CC2)C1)NCCOc1ccccc1 78787933 PAWLVQDMEOFPSQ-UHFFFAOYSA-N 341.415 1.166 0 40 EDAB COC(=O)C[C@H]1Oc2ccccc2N(CC(=O)N2CCCCC2)C1=O 73658938 SCUCYPHMIVBAQF-OAHLLOKOSA-N 346.383 1.356 0 40 EDAB Cc1cnn(CC(=O)NCc2ccccc2CN2CCC(O)CC2)c1 78964170 MAAWKSGUWPORHD-UHFFFAOYSA-N 342.443 1.465 0 40 EDAB Cc1nn(-c2ccccc2)cc1CN1CCN(C(=O)N(C)C)CC1 95982531 SGOSHRJEVXKGTP-UHFFFAOYSA-N 327.432 1.980 0 40 EDAB CN(Cc1cccnc1)C(=O)CNC(=O)Cc1cc(F)ccc1F 79896507 DIUKFHVVPSOOPC-UHFFFAOYSA-N 333.338 1.677 0 40 EDAB Cc1cc(=O)[nH]cc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 75109687 CQGHPVQZBAOCDN-UHFFFAOYSA-N 333.369 1.369 0 40 EDAB CC(C)(CC(=O)O)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 89761642 MUXQTGKIVRSWAN-UHFFFAOYSA-N 340.401 1.110 0 40 EDAB CC(C)n1cc(CN2C[C@H]3OC[C@H](CNC(=O)N(C)C)[C@H]3C2)cn1 306137541 QZIOOOFUOBYTDP-ARFHVFGLSA-N 335.452 1.182 0 40 EDAB C[C@H](NC(=O)NCC1CCN(S(C)(=O)=O)CC1)c1ccccc1 60321926 FCQKONHVOQJXCM-ZDUSSCGKSA-N 339.461 1.718 0 40 EDAB COc1ccc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)c(Cl)c1 68561783 VOEFFUSSCDUJOU-SECBINFHSA-N 332.809 1.905 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)N1 21474390 JTWUDQJHVSHTRP-UHFFFAOYSA-N 338.367 1.292 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CC)c(C)c1 408623646 PFEOVYLXOWPSNF-CYBMUJFWSA-N 342.461 1.977 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NC1CCCC1 31053783 OHKAKTHMWOEVSG-LLVKDONJSA-N 325.434 1.979 0 40 EDAB O=C1[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1cccc(Cl)c1 409286001 VHPVVWPOALRPKC-ZOPJHEKZSA-N 347.754 1.526 0 40 EDAB CCOCCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 409136568 XLJPDCIGMWDWIH-UHFFFAOYSA-N 332.397 1.135 0 40 EDAB COc1cc(C)ccc1[C@@H]1[C@@H]2[C@@H](C)NC(=O)N(C)[C@H]2NC(=O)N1C 519063 NAWGKDIMLGSLRQ-AQNFWKISSA-N 332.404 1.686 0 40 EDAB biogenic CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)c2cccnc2)C1 72369550 VUGMERCQQIZBNR-GFCCVEGCSA-N 334.401 1.228 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CN(CCO)c2ccccc2)c1 78660078 ALRSLPLFWDKWJZ-UHFFFAOYSA-N 334.441 1.936 0 40 EDAB Cc1cccc(Nc2cc([C@H]3CCCN(CC(N)=O)C3)nc(C)n2)n1 72361868 NRWPUZHVFVDBKN-AWEZNQCLSA-N 340.431 1.897 0 40 EDAB COc1cc(S(=O)(=O)Nc2nnc[nH]2)ccc1Br 72414441 MISIOBDEPKFMPR-UHFFFAOYSA-N 333.167 1.377 0 40 EDAB COc1ccccc1[C@H](NC(=O)CN(C)C(C)C)c1noc(C)n1 72871133 NWPFCCOMUIWUJU-INIZCTEOSA-N 332.404 1.932 0 40 EDAB Cc1c(/C=C/C(=O)N(CCS(C)(=O)=O)C(C)(C)C)cnn1C 123194252 AHDILSVTRPIFNB-BQYQJAHWSA-N 327.450 1.413 0 40 EDAB Cn1cccc1[C@@H]1CCCN1C(=O)CNC(=O)NCc1ccco1 79355337 MKUSZJMFXKWUQS-HNNXBMFYSA-N 330.388 1.781 0 40 EDAB CC(C)(C)OC(=O)NC[C@@H]1CCN(CC(=O)NCc2ccco2)C1 78393992 SBIXRCGLLMQVIA-ZDUSSCGKSA-N 337.420 1.742 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 78609970 IKJCOMDDKBDFEP-XHSDSOJGSA-N 338.448 1.432 0 40 EDAB CNc1cc(I)ccc1C(=O)N(C)[C@@H](C)CO 521396321 MHFSJNAWMUNYIO-QMMMGPOBSA-N 348.184 1.786 0 40 EDAB C[C@@H](CCc1ccccc1)NC(=O)C1CN(S(=O)(=O)C2CC2)C1 70818351 GMHMTKALAZLXAU-ZDUSSCGKSA-N 336.457 1.548 0 40 EDAB C[C@H](c1cccc(F)c1)n1cc(C(=O)NCCN2CCCC2)nn1 72341634 OJWYCSJSFNRCIE-CYBMUJFWSA-N 331.395 1.852 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(COC)C(=O)O 218447943 HKTMNCQMPQOEMH-YRGRVCCFSA-N 332.805 1.958 0 40 EDAB CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(C)c1 185656173 FJOVNZINFSAQFN-UHFFFAOYSA-N 340.426 1.704 0 40 EDAB COC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCC(C)C 217425806 LSYOMORVHCNKCQ-LLVKDONJSA-N 344.433 1.766 0 40 EDAB CNC(=O)c1ccc([C@@H]2CN(C(=O)c3cscn3)CCO2)nc1 72388087 GEDZEXDHXSPXOR-ZDUSSCGKSA-N 332.385 1.111 0 40 EDAB CC(C)(C)C(=O)N1CCC(Cn2c(-c3cnccn3)noc2=O)CC1 181759628 NPNQRUYHGPGRPM-UHFFFAOYSA-N 345.403 1.578 0 40 EDAB O=C(Nc1ccc(Cn2cccn2)cc1)N[C@@H]1CCc2ncnn2C1 131689004 UMZPORWGLKMCSF-OAHLLOKOSA-N 337.387 1.659 0 40 EDAB COc1ccnc(CNC(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)n1 564322678 BKKWJXAOHVOVJV-SECBINFHSA-N 348.325 1.737 0 40 EDAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1c(O)cc(F)cc1F 81712537 MTHWERQQTNANHT-LBPRGKRZSA-N 328.359 1.853 0 40 EDAB CCOC(=O)CCC(=O)NCCc1c(C)nn(-c2ccccn2)c1C 225581523 HSPICSAAMGCWFK-UHFFFAOYSA-N 344.415 1.886 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2ccc3c(c2)OCO3)C1 225806918 OWFVZFLZAYIQLU-GFCCVEGCSA-N 343.339 1.507 0 40 EDAB CN1C(=O)[C@@H](NC(=O)C(=O)NC2CCCCCC2)c2ccccc21 40284983 NADIKRBYUIXUFA-HNNXBMFYSA-N 329.400 1.659 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)Cc1cccc(N(C)C)c1 89923280 DHQPMJJIPBYKNR-GDBMZVCRSA-N 346.475 1.297 0 40 EDAB O=C(Cn1cc(COc2ccc(F)cc2)nn1)NC[C@H]1CCCO1 227160725 DMVXIGUYRNGVGU-OAHLLOKOSA-N 334.351 1.291 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 96049184 HXOGBAWOMBMMIY-SFHVURJKSA-N 346.431 1.101 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H]2CN2CCOCC2)c1 96428636 KQPWFXBQSDDVEV-AWEZNQCLSA-N 342.436 1.619 0 40 EDAB Cn1cc(CN2CCn3cc(CNC(=O)CC4CC4)nc3C2)cn1 96059441 DXDKCKAYLHZZID-UHFFFAOYSA-N 328.420 1.049 0 40 EDAB CC(C)OC(=O)c1cccc(-c2nnn(Cc3ccnn3C)n2)c1 91578531 UNMDELOWIOMECS-UHFFFAOYSA-N 326.360 1.687 0 40 EDAB CCO[C@@H](C)c1noc(CN2CCN(Cc3cccnc3)CC2)n1 96441588 HGOCIHLPDLTDKH-AWEZNQCLSA-N 331.420 1.880 0 40 EDAB Cc1cccc(CN2C(=O)CC[C@H]3[C@@H]2CCN3CC(=O)N(C)C)n1 96186535 OZYZSKLCBFMSSO-HOTGVXAUSA-N 330.432 1.044 0 40 EDAB CCc1nnc2n1C[C@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 97199514 UJNNSVKFWCJSJI-CMPLNLGQSA-N 348.838 1.821 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1cccnc1 96200879 VFSQVHBBROSXOC-KGLIPLIRSA-N 349.412 1.050 0 40 EDAB Cc1ccc(CCN(C[C@@H]2CCCO2)S(=O)(=O)N(C)C)cc1 96428695 XVUHVXYQYSXEJH-INIZCTEOSA-N 326.462 1.825 0 40 EDAB Cc1cccc(CN2C(=O)CO[C@@H]3CN(C[C@@H]4CCOC4)C[C@H]32)c1 96081645 DVPQBUMZCJELJS-RCCFBDPRSA-N 330.428 1.443 0 40 EDAB C/C(=C\C(=O)N(C)CCNS(C)(=O)=O)c1cccc(Cl)c1 98018796 QKFMKSCTVJVEKF-PKNBQFBNSA-N 330.837 1.751 0 40 EDAB O=C1CO[C@@]2(COCCN(CC3CC3)C2)CN1c1ccc(F)cc1 96051318 PMAZQODNHANVLB-GOSISDBHSA-N 334.391 1.670 0 40 EDAB O=C(NC[C@H]1CCCO1)C1=NO[C@@]2(CCN(Cc3ccsc3)C2)C1 247504175 QTZTVXFIAPWFHH-PBHICJAKSA-N 349.456 1.764 0 40 EDAB COc1ccc(S(=O)(=O)N2CC3(C[C@@H](OC)CCO3)C2)cc1F 248125915 HNEPNRPPWGQVJQ-NSHDSACASA-N 345.392 1.403 0 40 EDAB Cc1n[nH]cc1-c1cnc(C[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 257233073 GNQIYXITBLFHEL-LBPRGKRZSA-N 335.433 1.389 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(Cc2c[nH]nc2-c2cccs2)C1 257318903 VPWXRQKYHVNZJN-ZDUSSCGKSA-N 333.461 1.248 0 40 EDAB NC(=O)c1cnc([C@@H]2CCCCN2C(=O)Cc2cccnc2)s1 257314121 UVKIEWUGGZIGBG-LBPRGKRZSA-N 330.413 1.933 0 40 EDAB O=C(CN1CCCCC1)N1CCC2(CC(Nc3ccncn3)C2)C1 257326956 WZGDLUHOHPSMFY-UHFFFAOYSA-N 329.448 1.756 0 40 EDAB O=C(O)c1nn(-c2ccccc2C(F)(F)F)nc1N1CCOCC1 256047149 KTPWJOVIQWHVJN-UHFFFAOYSA-N 342.277 1.821 0 40 EDAB C[C@@H]1CN(Cc2ccc(OCC(=O)N3CCCC3)cc2)CC[C@H]1O 253601653 CVZZLBCUNSFKJF-CRAIPNDOSA-N 332.444 1.891 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)n1 257336152 YNKILIAHTIJLOD-MRXNPFEDSA-N 343.431 1.561 0 40 EDAB Cc1cc2nc(C3CCN(CC4(O)CCOCC4)CC3)ccn2n1 257203074 AOOSOQFVBIVLIE-UHFFFAOYSA-N 330.432 1.759 0 40 EDAB Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN2Cc2cncn2C)n1 257207689 BITYPSHFDKICTP-GOSISDBHSA-N 342.447 1.732 0 40 EDAB Cc1nc(C(=O)N2CC[C@@H]3[C@@H](CCCCN3S(C)(=O)=O)C2)co1 257268885 MNQSBFQBMLCZBL-GXTWGEPZSA-N 341.433 1.259 0 40 EDAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccn2nnnc12 585122389 ZDFGTWDXEWDAOY-CYBMUJFWSA-N 342.428 1.753 0 40 EDAB Nc1cc(CC[C@@H]2CN(C(=O)CCc3cccnc3)CCO2)ccn1 257206812 BEYSCBFOYUXZOO-QGZVFWFLSA-N 340.427 1.852 0 40 EDAB CN1c2ccccc2N(CCNC(=O)c2ccncc2)S1(=O)=O 253473171 RXWBTTYBTPTJEH-UHFFFAOYSA-N 332.385 1.013 0 40 EDAB O=C(N[C@@H](C(=O)O)[C@@H]1CCCOC1)c1cc(O)nc2cc(F)ccc12 262814306 PMNAIUMGTXDGCY-RFAUZJTJSA-N 348.330 1.689 0 40 EDAB C[C@@](O)(CN1CCN(C(=O)c2ccc(O)cc2)CC1)C(F)(F)F 281956436 KAPXEOGWZVMEAL-CQSZACIVSA-N 332.322 1.463 0 40 EDAB COC(=O)c1ccc(-c2noc(CN3CCCC[C@H](O)C3=O)n2)cc1 591650727 AUCMCMAAHYWZHU-ZDUSSCGKSA-N 345.355 1.397 0 40 EDAB Cc1ncc(CN(C)c2nc(NCCO)nc(NC(C)C)n2)s1 283426463 BZXOCYIRJVHEJH-UHFFFAOYSA-N 337.453 1.497 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1cc(-n2cccn2)ncn1 90614182 JGCZWLFCDWWUFA-UHFFFAOYSA-N 347.338 1.011 0 40 EDAB COCCN1CC[C@]2(CN(Cc3cnn(C)c3)CC(F)(F)C2)C1=O 585093169 GYGWPINIHZONLB-HNNXBMFYSA-N 342.390 1.126 0 40 EDAB CO[C@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/c2cnn(C)c2)C1 585290639 RUKDVXPWSPPJOE-DKFQHHCZSA-N 348.447 1.309 0 40 EDAB O=C1CCCN1CC[C@H]1CN(Cc2cccnc2)Cc2ccnn21 585113002 ZTCKWHJLHIOXOV-KRWDZBQOSA-N 325.416 1.848 0 40 EDAB Cc1cc(C)nc(N2CCOC[C@](O)(COc3cccc(F)c3)C2)n1 585278078 ZINZDUXOGQADSG-SFHVURJKSA-N 347.390 1.879 0 40 EDAB COc1ccc(OCc2cc(=O)n3cc(C)ccc3n2)c(C(N)=O)c1 51970719 DVIVSURVJWASGG-UHFFFAOYSA-N 339.351 1.689 0 40 EDAB Cc1nnc2n1CCN(CCC(=O)N[C@H]1CCCc3ccccc31)C2 69659312 MDCHXZBHODAEHQ-KRWDZBQOSA-N 339.443 1.986 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)NC1(c2ccc(F)cc2)CCC1 69618477 RTWNDDYSEZWTEO-ZDUSSCGKSA-N 326.393 1.691 0 40 EDAB Cc1cc(OCC2CCN(c3ncnc4[nH]cnc34)CC2)ncn1 1565520873 WRBWRUXJGZOPEQ-UHFFFAOYSA-N 325.376 1.747 0 40 EDAB CCn1cc(S(=O)(=O)N2CCC[C@H](c3ccn(C)n3)C2)nc1C 585389853 RLPFMQJFWMZYQC-ZDUSSCGKSA-N 337.449 1.513 0 40 EDAB COc1ccccc1CNC(=O)C[C@@H]1CSc2nc(C)cc(=O)n21 12236412 QUJRNSJQRCQYGF-CYBMUJFWSA-N 345.424 1.914 0 40 EDAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(C[C@@H]2CCC=CO2)C1 12730437 WKRQPYILGBZGOA-NEPJUHHUSA-N 343.474 1.814 0 40 EDAB CNc1cc(CCNC(=O)[C@H]2CCCO2)nc(-c2ccncc2)n1 19592301 BCKHDASOSJQUGZ-CQSZACIVSA-N 327.388 1.418 0 40 EDAB O=C(CSc1nc2ccsc2c(=O)n1CCO)N1CCCC1 206597197 MDPPBALTVMGAPX-UHFFFAOYSA-N 339.442 1.165 0 40 EDAB Cc1nc2n(n1)C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 156418187 YBEQLLDJXKEKPM-KGLIPLIRSA-N 335.452 1.890 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)O)cc1F 572458723 GTYVWMVGUNTLRK-LBPRGKRZSA-N 331.365 1.387 0 40 EDAB Cc1ccc(N2CC(N(C)C(=O)c3nn(C)c4ccccc34)C2)nn1 1888881697 FYXHNFAEMKZDLH-UHFFFAOYSA-N 336.399 1.633 0 40 EDAB Cc1ccc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)nn1 1889077250 VCFTXIXPNKNTEY-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2)C[C@H](C)O1 31093640 KCPYUXYDBVRMJR-STQMWFEESA-N 341.433 1.247 0 40 EDAB CN(C)c1cc(N2CCN(CC(=O)N3CCCCCC3)CC2)ncn1 891609671 GKHPZSNHIRYYMT-UHFFFAOYSA-N 346.479 1.067 0 40 EDAB COCCNC(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1 38550741 PNAVLOYBXBGYEX-UHFFFAOYSA-N 338.408 1.913 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](c3ncon3)C2)cc1 238863238 LDZZDFUVWSXVGA-LLVKDONJSA-N 336.373 1.206 0 40 EDAB Cc1cc(CN2CCN(c3ccnc(N4CCCC4)n3)CC2)no1 1206821037 QDAFQCRIGGBMLG-UHFFFAOYSA-N 328.420 1.695 0 40 EDAB Cc1cccc(F)c1C(=O)N1C[C@H]2ON=C(C(=O)NC3CCC3)[C@H]2C1 1565544584 MIQBCUGRNSPTEQ-GXTWGEPZSA-N 345.374 1.630 0 40 EDAB O=C(Cn1ccn(-c2ccccc2)c(=O)c1=O)NCCc1ccccc1 4313306 UCAURHBRKBZQOA-UHFFFAOYSA-N 349.390 1.358 0 40 EDAB C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2S1(=O)=O 4940711 QXPQESZTPIYAJL-SNVBAGLBSA-N 348.355 1.997 0 40 EDAB CN(C)CCN[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)O 22809370 CTBZWVRVKTZHBA-LBPRGKRZSA-N 348.230 1.926 0 40 EDAB O=S(=O)(c1cccnc1)N1CC(c2nc(-c3cccs3)no2)C1 49483796 KBHWEKYDUVQFNJ-UHFFFAOYSA-N 348.409 1.981 0 40 EDAB CCc1ncnc(O[C@@H]2CCN(C(=O)C(C)(C)OC(C)=O)C2)c1F 575413917 QTFQODFYXVXBHA-LLVKDONJSA-N 339.367 1.500 0 40 EDAB C[C@H](C(=O)Nc1ccccc1C(N)=O)n1nc2c(cc1=O)CCC2 575619137 HMOBGRSASXHROA-SNVBAGLBSA-N 326.356 1.031 0 40 EDAB O=C(c1ccccn1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 606440877 LXIYCWPAKAUXEY-LLVKDONJSA-N 349.188 1.928 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCOc2cccc(F)c2)C[C@H](C)O1 40105079 HAAHNYCMPIZZHJ-RYUDHWBXSA-N 332.397 1.148 0 40 EDAB CS(=O)(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20223969 FDIUJUNSSCXUBH-UHFFFAOYSA-N 343.758 1.835 0 40 EDAB CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)OC 40462364 DRKZYUVRDZGBKV-GXFFZTMASA-N 339.417 1.160 0 40 EDAB O=C(Cn1[nH]cc2c(=O)ncnc1-2)Nc1cccc(Br)c1 101004682 JNCGKOZTKPBOHQ-UHFFFAOYSA-N 348.160 1.472 0 40 EDAB COc1ccc(C(=O)NCC(=O)Nc2cn[nH]c2)cc1OC(F)F 51413496 MOVCYWOTFMWTME-UHFFFAOYSA-N 340.286 1.388 0 40 EDAB CC(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101411381 BCBALDGXRAAYKN-APYUEPQZSA-N 341.363 1.968 0 40 EDAB CCCCn1nnnc1CN1CCC(N2CCN(CC)C2=O)CC1 69815424 VDRPDQKQKHDNBS-UHFFFAOYSA-N 335.456 1.195 0 40 EDAB CCN1C[C@@H](C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)CC1=O 46166112 NLQJDIIIJDOWIE-HIFRSBDPSA-N 341.415 1.655 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)N(C)Cc3ccco3)C2)n1 69815325 MMXJCRSPRBQEGC-MRXNPFEDSA-N 345.447 1.859 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@H](C)[C@H]2CCCO2)c1 69895825 FDEFIINDIMLOIC-BXUZGUMPSA-N 341.433 1.592 0 40 EDAB COc1ccc(CCNC(=O)Cn2c(=O)cnc3ccccc32)cc1 2633689 BPELCIDIWLDDBN-UHFFFAOYSA-N 337.379 1.764 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCCCOC(C)C)cc(C)c1C 32520153 CZGALPIFQDDKIJ-UHFFFAOYSA-N 342.461 1.756 0 40 EDAB Cc1ccccc1NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 60455644 RTPINEBHVHSQLM-UHFFFAOYSA-N 343.412 1.986 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2ccc(F)cc2s1 32784604 VYVORPZWTWXEEU-JTQLQIEISA-N 343.405 1.798 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)NCCCN2CCc3ccccc3C2)C1 32817041 IDZRRLLSDIFVDB-IBGZPJMESA-N 343.471 1.810 0 40 EDAB CN1CCN(c2ccc(NC(=O)c3cccnc3S)cn2)CC1 32889375 KYZPIRLZQKTWIZ-UHFFFAOYSA-N 329.429 1.769 0 40 EDAB CCN(Cc1ccccc1)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102429864 RRYGMZUINWMMOT-IYBDPMFKSA-N 326.396 1.986 0 40 EDAB C[C@H](Sc1ncccn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6912644 RGFFMHGVRJDEOW-VIFPVBQESA-N 338.414 1.243 0 40 EDAB Cc1oc(-c2ccco2)nc1CN1CCO[C@H](Cn2cncn2)C1 69976675 UYUVRUUVANFYON-ZDUSSCGKSA-N 329.360 1.736 0 40 EDAB Clc1cnc(N2CCN(CCN3CCOCC3)CC2)c(Cl)c1 69902604 WSMXNYBJNNKGCB-UHFFFAOYSA-N 345.274 1.843 0 40 EDAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC(=O)O)ccc12 487680 QMDDKAOEIYXBGV-JTQLQIEISA-N 333.340 1.714 0 40 EDAB biogenic CC(C)Cc1noc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)n1 32905351 DLYVLFVRYSRINT-CYBMUJFWSA-N 328.372 1.931 0 40 EDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2cccc(F)c2)C(=O)N1 10385035 DCCYDGDAMSEEDO-NWDGAFQWSA-N 340.376 1.318 0 40 EDAB CCc1cccc(N2C[C@@H](C(=O)NCc3nncn3CC)CC2=O)c1 47021576 FEOZNJDLYUXQLI-AWEZNQCLSA-N 341.415 1.530 0 40 EDAB COc1cc(C(=O)N[C@H](C)Cc2ccco2)ccc1OCC(N)=O 33208191 RBXBFNQFYDIOAA-LLVKDONJSA-N 332.356 1.513 0 40 EDAB CC(C)OCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n1C 2917014 MICQKXDQPDPUQA-UHFFFAOYSA-N 342.399 1.731 0 40 EDAB CC(C)c1csc(NC(=O)NCC2(C(N)=O)CCOCC2)n1 47380402 SNWFLCGFBGBRAZ-UHFFFAOYSA-N 326.422 1.670 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 47325980 FDOAZJMNXPWWDU-LLVKDONJSA-N 329.397 1.619 0 40 EDAB CN(C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccco1 42476214 NHNRBAKBPBBJQW-HUUCEWRRSA-N 333.432 1.647 0 40 EDAB NC1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 37574170 BZDWPGATTDQYGS-UHFFFAOYSA-N 337.214 1.700 0 40 EDAB CC(C)[C@@H](NC(=O)CN(C)CC(N)=O)c1ccc2c(c1)OCCCO2 47628675 BWUITBCMNXUNCV-GOSISDBHSA-N 349.431 1.078 0 40 EDAB CCOC(=O)N[C@@H](n1ccc(=O)[nH]c1=O)C(Cl)(Cl)Cl 3102006 CAXFSUTVBDAIGX-LURJTMIESA-N 330.555 1.152 0 40 EDAB biogenic C[C@@H](OCC(F)(F)F)C(=O)NCc1ccc(N2CCOCC2)nc1 42876944 XOQBEGDWJYWLID-LLVKDONJSA-N 347.337 1.502 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCc1ccccc1F 24678155 KSMIRPUXEGBDMZ-CQSZACIVSA-N 342.436 1.689 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN([C@H](C(N)=O)c3ccccc3)C2)no1 76047317 UNEYBSCIRMJIOL-HOCLYGCPSA-N 329.404 1.111 0 40 EDAB O=C(NCc1cc(O)n2nc(-c3cccnc3)cc2n1)c1cccnc1 100744350 LVTCCQVJRVOFHK-UHFFFAOYSA-N 346.350 1.822 0 40 EDAB C[C@H](Sc1nnc(N)s1)C(=O)N1CCN(c2ccccc2)CC1 12534550 SEHXTHREUYNWEB-NSHDSACASA-N 349.485 1.950 0 40 EDAB CN1CCCN(C[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)O)CC1 106590692 VHEQBGKSVGZSSY-ZDUSSCGKSA-N 337.395 1.493 0 40 EDAB C[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)C[C@@H](C)O1 25413888 CWYHOEDSCRYOLM-JHJVBQTASA-N 340.445 1.526 0 40 EDAB C[C@@H]1CN([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C[C@@H](C)O1 25413513 QOOLYKZIGDSSQM-KBUPBQIOSA-N 334.416 1.440 0 40 EDAB COCCNC(=S)N1[C@@H]2CCC[C@@H]1CC(NC(=O)C1CC1)C2 100426809 CPPZKXRJXKZLEP-ZIAGYGMSSA-N 325.478 1.419 0 40 EDAB Nc1nc(COC(=O)[C@@H]2CCCO2)nc(Nc2ccc(F)cc2)n1 26255993 OSFTUKYHKYGKSA-NSHDSACASA-N 333.323 1.559 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(C)nc2cc(C)cc(C)c12 55131188 AZRVIHVICHDQDW-CJNGLKHVSA-N 342.395 1.908 0 40 EDAB O=C(c1ccn(-c2ccccc2Cl)n1)N1CCN(CCO)CC1 78783458 SOYFZHRAYXISMZ-UHFFFAOYSA-N 334.807 1.276 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H]1N(C)C 78896660 PLUSHZALKKHQKX-GXFFZTMASA-N 344.864 1.766 0 40 EDAB Cc1ccc(N2CCC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)nn1 107228666 WWBQICGNGWIVAQ-PBHICJAKSA-N 344.394 1.954 0 40 EDAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cc2ccccc2cc1O 100572380 INUZZPZUZVKGCF-MGBSGCIJSA-N 348.358 1.997 0 40 EDAB Cn1cc(C(=O)N2CCS(=O)CC2)c(-c2ccccc2Cl)n1 108813207 CVPSYKLQACGYFA-UHFFFAOYSA-N 337.832 1.945 0 40 EDAB CN(CC(=O)N(C)C1CCCC1)C1=NS(=O)(=O)c2ccccc21 44890229 YPXFASZSJSQIMA-UHFFFAOYSA-N 335.429 1.468 0 40 EDAB Cc1csc(CNC(=O)NC[C@@H](O)COc2cccc(F)c2)n1 44955229 TVBSETCMZOZLFR-GFCCVEGCSA-N 339.392 1.830 0 40 EDAB Cc1cc([C@H]2CCCN2Cn2nnn(-c3cccs3)c2=O)on1 44979279 AAXPITVYQYVMGM-LLVKDONJSA-N 332.389 1.582 0 40 EDAB CCOCCO[C@H](C)C(=O)N1CCC(c2n[nH]c(C3CC3)n2)CC1 58393194 ZUXZFGODVDBBFS-GFCCVEGCSA-N 336.436 1.830 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNCc1ccc(-n3ccnc3C)nc1)CN2 58432802 VNXBBDPEWNCSBI-INIZCTEOSA-N 337.431 1.912 0 40 EDAB C[C@H](Sc1nncs1)C(=O)NCc1ccc(-n2cccn2)nc1 48273047 KHVLBLNUURWZSU-JTQLQIEISA-N 346.441 1.916 0 40 EDAB Cc1ccc([C@H](C)NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)cc1 45365011 AURGKCPBGBDQIS-NSHDSACASA-N 338.367 1.421 0 40 EDAB CC(C)[C@@H](NC(N)=O)C(=O)NCCc1cnn(-c2ccccc2)c1 11147649 ZYKHOXAWCUOLPJ-OAHLLOKOSA-N 329.404 1.224 0 40 EDAB CCOC(=O)CN(CC)S(=O)(=O)c1ccc2c(c1)OCCO2 48302599 DFEUQOLFIDDRHC-UHFFFAOYSA-N 329.374 1.032 0 40 EDAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 13265531 HBNQCYHUHFOLAW-UHFFFAOYSA-N 334.353 1.545 0 40 EDAB CS(=O)(=O)c1nc(C(=O)OC[C@H]2CCCCO2)c2ccccn12 63568884 BREDWFSLWXPAHV-LLVKDONJSA-N 338.385 1.464 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2nnc3ccccn23)C1 63765973 JFBNLNDGUHYIKR-KBPBESRZSA-N 349.460 1.843 0 40 EDAB CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 8991883 JLXFOVUVDVSCTF-CHWSQXEVSA-N 342.417 1.490 0 40 EDAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Cl)[C@@]1(C3OCCO3)C=C[C@H]2O1 409281143 CPSRRXCPVVMVKA-HPTBWKMGSA-N 347.754 1.526 0 40 EDAB CN(CC(N)=O)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 71829210 IPCBVMZWFQGGNK-KRWDZBQOSA-N 336.395 1.938 0 40 EDAB CC(C)(C)c1nnnn1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 71839268 QDFCJICSEWHVAB-CQSZACIVSA-N 347.394 1.710 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71820007 QDXFLGIOZLMWJM-TZMCWYRMSA-N 343.832 1.675 0 40 EDAB Cc1ccc(OCCC(=O)NC(C)(C)C(N)=O)c(Br)c1 71836493 HCUROSQKARUMBH-UHFFFAOYSA-N 343.221 1.907 0 40 EDAB CC(C)N(C)S(=O)(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 65437661 WJQNZOQQJZZESK-CQSZACIVSA-N 340.424 1.823 0 40 EDAB NC(=O)CCN(C(=O)CS(=O)(=O)C1CCCC1)c1ccccc1 71185845 GJHGUIDZKPIUSO-UHFFFAOYSA-N 338.429 1.252 0 40 EDAB O=C(NC1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CCC1 65552292 MDCVNJWFDRIIED-UHFFFAOYSA-N 340.420 1.895 0 40 EDAB Cn1ccnc1C(=O)c1cccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)c1 71287474 RKOUCSADBRNTOC-QWHCGFSZSA-N 341.367 1.946 0 40 EDAB COC[C@@H](O)CNC(=O)COc1ccc(Br)cc1F 71266982 OOSDAKGOZMVTOB-VIFPVBQESA-N 336.157 1.091 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNc1ncnc2c1cnn2C 14326398 MYZKCGOLJVMZRP-UHFFFAOYSA-N 346.416 1.226 0 40 EDAB COc1ccc(Cl)cc1N1C(=S)N[C@@H]2CS(=O)(=O)C[C@H]21 6673271 YNGCEUOHUHDCOX-PSASIEDQSA-N 332.834 1.209 0 40 EDAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCCCO 6658651 RYMZCWSYBSFCKJ-NSHDSACASA-N 331.368 1.548 0 40 EDAB CC[C@H]1CN(CC(=O)N(C)Cc2ccc(C)o2)CCN1C[C@@H](C)O 71877557 FCWUPCAUZNQUCL-ZBFHGGJFSA-N 337.464 1.323 0 40 EDAB O=C(CCc1ccsc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 71834927 GUKYLIBVHQXYMR-AWEZNQCLSA-N 342.486 1.012 0 40 EDAB Cc1nn(CC(=O)N2CCN(c3ccncc3)CC2)c(C)c1Cl 71819785 JTDUXNCRMBENOK-UHFFFAOYSA-N 333.823 1.897 0 40 EDAB CCO[C@H](CC)C(=O)NCc1ccccc1CN1CCN(C)CC1 71830048 RJSPAEPNDDHGNH-GOSISDBHSA-N 333.476 1.865 0 40 EDAB CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCc3[nH]ncc3C2)cc1 90454834 OGYJJPGUUPUAOG-SMDDNHRTSA-N 334.445 1.526 0 40 EDAB CCc1nc(C(=O)N(C)CC(=O)N(C)C)nn1-c1ccccc1Cl 71847903 AGPIRJOBLSPGEI-UHFFFAOYSA-N 349.822 1.643 0 40 EDAB COc1ccc(CN2CCN(C(=O)Cn3cc(C)cn3)CC2)cc1 71821492 GFXZOIVIUKFBPB-UHFFFAOYSA-N 328.416 1.545 0 40 EDAB C[C@@H](Sc1ccc(F)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 16514108 FTXHJMQJPVRIFP-MRVPVSSYSA-N 337.376 1.169 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1S(N)(=O)=O 8110963 VJFKITBBPPZMLF-UHFFFAOYSA-N 344.389 1.582 0 40 EDAB O=C(NCC(F)(F)F)N1CCN(C[C@H](O)c2ccccc2)CC1 70013123 SBDUMBQKGUVUBS-ZDUSSCGKSA-N 331.338 1.610 0 40 EDAB COCCn1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(C)o2)cn1 70040433 PFJHEJBVFJEUMO-CQSZACIVSA-N 346.387 1.733 0 40 EDAB CCN(CC)C(=O)CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 69325872 WTCHTHISAICVKQ-RDJZCZTQSA-N 346.475 1.990 0 40 EDAB Cc1nc2c(c(C)c1CC(=O)Nc1ccnn1C(C)C)c(=O)[nH]n2C 69461504 XGXXMXDXVCONLR-UHFFFAOYSA-N 342.403 1.837 0 40 EDAB CCOc1cccc(NC(=O)C(=O)N2CCCN(C(=O)OC)CC2)c1 69419685 BHNYBMBWYRRPQH-UHFFFAOYSA-N 349.387 1.325 0 40 EDAB CN(CCOc1cccc(F)c1)c1ncc(S(N)(=O)=O)s1 69453834 WUPDSUVFXLWMAJ-UHFFFAOYSA-N 331.394 1.445 0 40 EDAB CC(=O)NCCC(=O)Nc1ccccc1C(=O)NCC(F)(F)F 9450886 JDOYBPSFYXZOHZ-UHFFFAOYSA-N 331.294 1.443 0 40 EDAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CNC[C@H]1CN(C)CCO1 69569181 AIQGLWQYBODMAW-AAEUAGOBSA-N 337.386 1.096 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN1CCC[C@@H](N2CCCCCC2)C1 69627249 UNTHOKBEGOCTJE-OAHLLOKOSA-N 338.496 1.951 0 40 EDAB Fc1ccc(OCc2noc(CN[C@H]3CCc4ncnn4C3)n2)cc1 69600228 ZLKKEHZTTDRNEV-LBPRGKRZSA-N 344.350 1.484 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1C 69744638 AGZLWLXGGJOOET-GHMZBOCLSA-N 344.433 1.312 0 40 EDAB Cn1nncc1CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 97032557 OMWCKZZYULSBKL-UHFFFAOYSA-N 348.838 1.225 0 40 EDAB Cc1nc2ncnn2c(NCCC(=O)NCc2ccncc2)c1C 72293767 IFIFUZOTFUWZPJ-UHFFFAOYSA-N 325.376 1.255 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)NCCNC(=O)c1ccccc1F 72274242 QKQDDMRRNSIBSJ-ZDUSSCGKSA-N 337.395 1.766 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)c3cccc(S(C)(=O)=O)c3)C2)no1 72231980 MKRVUHFYOWMBPD-CYBMUJFWSA-N 349.412 1.801 0 40 EDAB Cc1nnc(NC(=O)CN2CCc3c(nc(C4CC4)n3C)C2)s1 84291805 AOMKMVDOVOHSPT-UHFFFAOYSA-N 332.433 1.454 0 40 EDAB O=S(=O)(NCc1nc(C2CC2)no1)N1CCC[C@@H]1c1ccco1 84432422 BNIXKSLKONZCSP-LLVKDONJSA-N 338.389 1.712 0 40 EDAB C[C@@H](CNC(=O)N(C)Cc1cc(Cl)cn1C)N1CCOC[C@@H]1C 84715364 JVABSCKFVXJYMF-STQMWFEESA-N 342.871 1.929 0 40 EDAB Cc1noc2ncc(S(=O)(=O)NC[C@@H](N)c3ccccc3)cc12 95432041 ONGJHBJSBLTXKS-CQSZACIVSA-N 332.385 1.510 0 40 EDAB COc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](COC(C)=O)(O4)[C@@H]3C2=O)c1 409279353 GUPVJTOGRVMUHE-LLDVTBCESA-N 343.335 1.071 0 40 EDAB C[C@@H]1CC[C@@H](CCC(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)O1 95962527 CAUNMEWVEDNHKZ-NXHRZFHOSA-N 337.508 1.961 0 40 EDAB C[C@@H](NC(=O)N[C@@H](Cn1cncn1)c1ccccc1)c1cnn(C)c1 95962791 YCHQREMBCHDZNG-CJNGLKHVSA-N 339.403 1.813 0 40 EDAB CN(CCN1CCCC1=O)S(=O)(=O)Cc1cc(Cl)ccc1F 89346184 GYLXYLOAQSSIFP-UHFFFAOYSA-N 348.827 1.863 0 40 EDAB Cc1c[nH]/c(=N/C(=O)c2ccc(Br)cc2-n2cncn2)[nH]1 89506321 PVPVTVNIIVJATL-UHFFFAOYSA-N 347.176 1.736 0 40 EDAB Cc1nn(C)c2[nH]nc(NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)c12 89567318 MMXXCEZPYPRDRL-LLVKDONJSA-N 330.392 1.192 0 40 EDAB CCCc1noc(CCCC(=O)NC[C@@](C)(O)c2cnn(C)c2)n1 75145957 CNYSECPDBAOACH-MRXNPFEDSA-N 335.408 1.102 0 40 EDAB O=C1CC[C@@H](C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)N1 89800400 AXVJXOIODZRAIB-AWEZNQCLSA-N 344.411 1.664 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)N2CCC(C)CC2)c1 89929949 PPWLCQDCSQNGGN-UHFFFAOYSA-N 325.434 1.536 0 40 EDAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCN(CCO)CC1 75572779 VKGYBQNRMBTVJA-INIZCTEOSA-N 332.444 1.642 0 40 EDAB CC(C)Oc1ccc(Cl)c(C(=O)N2CCN(CCO)CC2)n1 75572820 VBEVPQSVUVBWIP-UHFFFAOYSA-N 327.812 1.272 0 40 EDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCC(C)C)cc1 408528410 GCHLWSVYBNZYCP-UHFFFAOYSA-N 342.461 1.916 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@@H]1C2 306127547 GBNHLNNBTXDALT-KBPBESRZSA-N 329.404 1.314 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 408593308 PXISSRLVDMWQIG-CYBMUJFWSA-N 342.461 1.913 0 40 EDAB CNS(=O)(=O)c1ccc(OC)c(-c2noc(C(C)(C)C)n2)c1 64789588 VJUSYRBSMPAIFP-UHFFFAOYSA-N 325.390 1.951 0 40 EDAB C[C@@H](C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1)n1cnnn1 524735127 XMEUTQOMEFPWFR-SMDDNHRTSA-N 325.376 1.864 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)NCc2cccnc2C)[C@@H]1n1cccn1 527972766 LUQXLOSHXLCGSC-OAGGEKHMSA-N 329.404 1.804 0 40 EDAB CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 78554405 AQCLYEKAMXFBFF-UHFFFAOYSA-N 326.399 1.676 0 40 EDAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)N2 31815019 ZPMMGVKFEVTZPE-LBPRGKRZSA-N 342.359 1.321 0 40 EDAB CCc1nccn1-c1nccnc1[C@H]1CCCN(C(=O)COC)C1 72350616 UMKUBGPSEUJQSE-ZDUSSCGKSA-N 329.404 1.577 0 40 EDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](O)Cc1ccccc1 70639382 DWXUAFXSTOVTOP-INIZCTEOSA-N 330.359 1.162 0 40 EDAB COC(=O)C1=NO[C@H](C(=O)N2CC=C(c3ccc(OC)cc3)CC2)C1 78718365 OJRSVCMUMRASAR-INIZCTEOSA-N 344.367 1.629 0 40 EDAB O=C1c2cnc(N3CCC(O)CC3)nc2CN1Cc1ccc(F)cc1 72260015 LTBCDMYHWNESPV-UHFFFAOYSA-N 342.374 1.733 0 40 EDAB Cc1nccc(N2CCC[C@H](c3ncncc3S(C)(=O)=O)C2)n1 72369049 PBJXJROLYAACNF-LBPRGKRZSA-N 333.417 1.363 0 40 EDAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)NCc3cccnc3)cc21 49659642 LMUIIISJYDBHPP-UHFFFAOYSA-N 331.397 1.790 0 40 EDAB O=S1(=O)CCC[C@H](CNCc2cnnn2Cc2ccccc2)C1 568824010 KPRHDSALJAJOGM-OAHLLOKOSA-N 334.445 1.241 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC[C@]1(C)C(=O)O 530209798 YISBEHQKLTXJFU-BFQNTYOBSA-N 325.409 1.330 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 572100550 FFJFSMMRQBXUHO-OGHNNQOOSA-N 349.383 1.697 0 40 EDAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCO 223571179 FPFPMMFFUWYKDL-HZPDHXFCSA-N 346.456 1.494 0 40 EDAB O=C(NCc1ccc(Cl)cc1)N1CC[C@@H](N2C(=O)COC2=O)C1 225703109 ONFNVZZLSRARCI-GFCCVEGCSA-N 337.763 1.603 0 40 EDAB CCN1C[C@]2(CC1=O)CN(Cc1ccco1)CCN(C(=O)C(C)C)C2 96036165 FLBBDQQIMHQJBA-IBGZPJMESA-N 347.459 1.818 0 40 EDAB O=C(c1cscn1)N1CCC2(C1)CN(C(=O)C1CCOCC1)C2 96046453 XDNJKGXXHSZMAB-UHFFFAOYSA-N 335.429 1.244 0 40 EDAB CNC(=O)CO[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccc(C)cc3)C2)C1 96222299 OIFLITGWCBXTQX-LPHOPBHVSA-N 346.427 1.521 0 40 EDAB COCCN1CCC[C@]2(C(=O)O)CN(Cc3cccc(C)n3)C[C@@H]2C1 96064292 IKMRKWFZPPAASD-LPHOPBHVSA-N 347.459 1.635 0 40 EDAB CN(C)CCOC[C@@H]1CN(C(=O)c2cccnc2)Cc2ccnn2C1 96044192 STODFCHLRPXYRV-OAHLLOKOSA-N 343.431 1.129 0 40 EDAB O=C([C@@H](c1cccc(F)c1)N1CCOCC1)N1CCc2[nH]ncc2C1 96426185 QKFVFBGIFJJXPD-QGZVFWFLSA-N 344.390 1.507 0 40 EDAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(F)cc1 96186248 DALHYJZWKVZLBF-HZPDHXFCSA-N 334.391 1.607 0 40 EDAB O=S(=O)(C1CC1)N1C[C@@H]2CN(Cc3ccsc3)CCO[C@@H]2C1 96108225 QHTWUYJNCDRYOC-DZGCQCFKSA-N 342.486 1.373 0 40 EDAB O=C(c1c[nH]cn1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96073803 MANAONPQULTRKV-MLGOLLRUSA-N 346.366 1.215 0 40 EDAB CC[C@H](NC(=O)N1CCN(c2ccnc(C)n2)CC1)C1CCOCC1 332053276 MMZVUIQNBCIJBE-INIZCTEOSA-N 347.463 1.822 0 40 EDAB Cc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)no1 96181796 LEMLNUZCDPWERQ-GJZGRUSLSA-N 333.319 1.659 0 40 EDAB CC(=O)N1CCN(Cc2ccc(C)s2)C[C@@]2(CC(=O)N(C)C2)C1 96036038 DIALJSPRALHFTB-KRWDZBQOSA-N 335.473 1.569 0 40 EDAB O=C(c1ncccn1)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 96209069 FCKPHLRFAWRNEI-QAPCUYQASA-N 340.383 1.572 0 40 EDAB Cc1nc(CN2C(=O)COC3(CCN(C(N)=O)CC3)[C@H]2C)cs1 96201596 SMPZZLDITGKOOQ-SNVBAGLBSA-N 338.433 1.112 0 40 EDAB O=C(NCC1CCOCC1)[C@H]1CN(Cc2ccoc2)Cc2cncn21 247500303 PRAUAPBAZHGPKA-QGZVFWFLSA-N 344.415 1.576 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 247358460 YOIJMYGCLQPTDH-ZDUSSCGKSA-N 338.429 1.434 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CN(Cc3ccc(C)cc3)CCO2)n1 257308569 TXFZPWVZDUYOEO-SFHVURJKSA-N 340.427 1.995 0 40 EDAB C[C@@]1(c2cnccn2)NC(=O)N(CCC(=O)Nc2ccccc2)C1=O 252508345 XKSVVFABQPSAMG-KRWDZBQOSA-N 339.355 1.272 0 40 EDAB CCOc1ccc([C@H]2[C@H](C(=O)NCCCO)CCC(=O)N2CC)cc1 257246526 IUMOHQCSGRUWMV-AEFFLSMTSA-N 348.443 1.884 0 40 EDAB O=C(CCc1cccs1)NC[C@@]1(O)CCN(c2ncccn2)C1 257272436 NCKHMUKTNREUGL-INIZCTEOSA-N 332.429 1.228 0 40 EDAB O=C(c1ccc2[nH]nnc2c1)N1CCO[C@@H](CCc2ccncn2)C1 257308360 TWLNCQDFWLGFRQ-AWEZNQCLSA-N 338.371 1.222 0 40 EDAB C[C@H]1c2nc(C(=O)N3CCOCC3)cn2CCN1CC1CCOCC1 253592695 XQJCUOVUQKJRES-AWEZNQCLSA-N 348.447 1.159 0 40 EDAB CCn1cc(C(=O)N2CCO[C@@H](c3cc(NC)cc(C)n3)C2)cn1 257210136 BTIBYJIUJSNPQZ-MRXNPFEDSA-N 329.404 1.862 0 40 EDAB O=C(O)c1ccc(=O)n(-c2cnn(CCNC(=O)C3CCCC3)c2)c1 257324776 WQCMLJJHPPBMNN-UHFFFAOYSA-N 344.371 1.039 0 40 EDAB NS(=O)(=O)c1ccc(F)c(CNC(=O)C(C2CC2)C2CC2)c1 584908224 VGOIESFONQWIOH-UHFFFAOYSA-N 326.393 1.526 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ccnn3C)CC2)C[C@H](O)C1(C)C 257231751 GIBDKKLSGZHZRP-HNNXBMFYSA-N 348.447 1.034 0 40 EDAB Cc1ncc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)c(C)n1 257207210 BGUSZUOMOJQODD-GOSISDBHSA-N 341.415 1.250 0 40 EDAB O=C(c1noc2c1CCCC2)N1CCOC[C@@H](Cc2ccncn2)C1 257212826 CFCNXWWSDGTRJQ-ZDUSSCGKSA-N 342.399 1.675 0 40 EDAB O=C(Nc1cc2n(n1)CCCC2)c1cccc(C(=O)N2CCCC2)n1 585082739 UWVIUJROZZGQSR-UHFFFAOYSA-N 339.399 2.103 0 40 EDAB CN(C)[C@H]1[C@H](NC(=O)c2cocn2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257329761 XLLLYRANEDYJPX-OJLVUWQFSA-N 349.362 1.055 0 40 EDAB CCO[C@@]1(CS(=O)(=O)N[C@@H](C)Cc2c(C)noc2C)CCOC1 585115901 ZBPNBVWHABFDAT-NHYWBVRUSA-N 346.449 1.337 0 40 EDAB Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc([S@@](C)=O)cn1 585124728 PGAOHAVNSHFCHY-HSZRJFAPSA-N 346.334 1.981 0 40 EDAB COc1ncc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cn1 85557388 DIRJZIOZEJKROF-UHFFFAOYSA-N 329.765 1.948 0 40 EDAB O=C(N[C@@H]1CCN(Cc2cccnc2)C[C@@H]1O)c1cccc(F)c1 1090022954 MRZJBJGOXCIECW-SJORKVTESA-N 329.375 1.586 0 40 EDAB C[C@@H]1CN(c2nnc3ccc(Br)cn23)C[C@@H](C)S1=O 596208648 UQFOVFUJDKHFQA-RKDXNWHRSA-N 343.250 1.838 0 40 EDAB CN1C[C@H](C(=O)Nc2ccc(=O)n(Cc3cccc(F)c3)c2)CC1=O 1615058770 WNVXAJGTLQJWDF-CYBMUJFWSA-N 343.358 1.453 0 40 EDAB CC[C@@H](NC(=O)c1cnc2cc(OC)ccc2c1)[C@H](O)C(=O)OC 1615551301 XIJLRNUJKMBEAY-HIFRSBDPSA-N 332.356 1.286 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575402536 CEGHLVIRMQPXCQ-CYBMUJFWSA-N 328.459 1.759 0 40 EDAB O=C(c1ccc(O)nc1)N1CC[C@H](Cc2ccccc2F)[C@H](O)C1 585279490 MVJNZAXBGZRSLH-CZUORRHYSA-N 330.359 1.992 0 40 EDAB COCCN1CC[C@]2(CN(Cc3ccccn3)CC(F)(F)C2)C1=O 585093495 ZWQATXNRASNNOV-INIZCTEOSA-N 339.386 1.788 0 40 EDAB Cc1nccc(N2CCOC[C@@](O)(COc3ccc(F)cc3)C2)n1 585277795 XYZIPGWYIQHZNS-QGZVFWFLSA-N 333.363 1.571 0 40 EDAB Cc1cc(CN2Cc3ccnn3CC[C@H]2CN2CCOCC2)n[nH]1 585098318 WCKDWUBEARHQOZ-INIZCTEOSA-N 330.436 1.021 0 40 EDAB O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CN2CCCC2)C1 585285099 VZJSGZKOFZKANU-DOTOQJQBSA-N 338.835 1.374 0 40 EDAB C[C@H](C(=O)NC1CCN(Cc2ccccc2F)CC1)S(C)(=O)=O 58167297 HYCINDPOKKXQTK-GFCCVEGCSA-N 342.436 1.339 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)C2)c(OC[C@H]2CCCO2)c1 56303422 RQLMTOLVHSBTBB-UONOGXRCSA-N 332.400 1.970 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccc(-n3cccn3)c(F)c1)C2 69415581 QCIUXMIPXXACJL-UHFFFAOYSA-N 340.362 1.821 0 40 EDAB CCCc1cc(N2CCC(N3CCNC3=O)CC2)n2ncnc2n1 69519359 IONMONQAINCRPG-UHFFFAOYSA-N 329.408 1.071 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccnn1CCc1ccccc1 69527491 ONJVBDVVPUENAU-OAHLLOKOSA-N 347.440 1.889 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2ccc(N(C)C)nn2)n1 69928712 HUVDMUUFAFHOEA-CQSZACIVSA-N 328.420 1.661 0 40 EDAB COC(=O)c1cccn1C1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 71186093 GDEOPLNHBZQMFQ-UHFFFAOYSA-N 343.383 1.451 0 40 EDAB CCc1cc(N2CCC(CC(=O)N3CCCC3)CC2)n2ncnc2n1 71811067 ICCLVWPONQAPRJ-UHFFFAOYSA-N 342.447 1.916 0 40 EDAB CCn1ccnc1[C@@H](NC(=O)c1cn(C)nc1C)C1CCOCC1 514682831 PUHKBWWQGQTEOD-HNNXBMFYSA-N 331.420 1.843 0 40 EDAB Cc1cc(N2CCC(NC(=O)c3[nH]c(O)nc3C)CC2)nc(C)n1 514796630 LFMKSXPVLJGQNF-UHFFFAOYSA-N 330.392 1.229 0 40 EDAB Cc1ccccc1N1CCC(O)(CN2CCC[C@](C)(C(N)=O)C2)CC1 1616178897 GOVJKKQADHMDAZ-IBGZPJMESA-N 345.487 1.914 0 40 EDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCC(C)CC2)c1 5485608 ZLMQWHVWYLKJLW-UHFFFAOYSA-N 348.399 1.930 0 40 EDAB C[C@@]1(NC(=O)CSc2nc3ccccc3[nH]2)CCS(=O)(=O)C1 5628172 JEOVTRRRIPNCIN-CQSZACIVSA-N 339.442 1.348 0 40 EDAB CC(=O)N1CCN(c2cc(C)nc3c4c(C)cc(C)nc4nn23)CC1 12114019 IKXQPDKVNNTEOA-UHFFFAOYSA-N 338.415 1.871 0 40 EDAB CC(C)CCNC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 12233468 JLJZVEFJQXCDCP-UHFFFAOYSA-N 327.388 1.566 0 40 EDAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)NC(C)(C)C)n1 12735033 INTCTVFVHHIEPP-LBPRGKRZSA-N 331.420 1.736 0 40 EDAB COc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1OC 17114504 LQCSBBUCPHHAPH-UHFFFAOYSA-N 347.371 1.603 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCc2nc([C@H]3CCNC3)ncc2C1 19293738 CEXUBEKSDKBBPH-AWEZNQCLSA-N 340.402 1.820 0 40 EDAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCCCO)cc21 5442160 GUEOJRJJKNONPK-UHFFFAOYSA-N 347.415 1.059 0 40 EDAB C[C@H]1CCc2c(sc3nc(SC[C@H](O)CO)[nH]c(=O)c23)C1 19993593 YKERRRWILQSTNP-JGVFFNPUSA-N 326.443 1.555 0 40 EDAB CCC(CC)n1ncc(C(=O)N[C@H](CO)Cc2cnn(C)c2)c1C 585088095 JVXNGNIHAZCNRL-AWEZNQCLSA-N 333.436 1.620 0 40 EDAB COc1ccc(OCc2noc(CN3CCC(C(N)=O)CC3)n2)cc1 22189437 OWPKCXDUYSTTHG-UHFFFAOYSA-N 346.387 1.355 0 40 EDAB COCCn1nc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1=O 31110822 YBSBEMKBMNEGKG-UHFFFAOYSA-N 339.395 1.819 0 40 EDAB O=S(=O)(N[C@H]1CCn2nccc2C1)c1ccc(F)c(Cl)c1 240178579 ZAXFMFVFKTZSRV-VIFPVBQESA-N 329.784 1.969 0 40 EDAB COC(=O)c1ccccc1C(=O)N1CCC(N2C(=O)COC2=O)CC1 244947593 DNKMKEMVRXNIRG-UHFFFAOYSA-N 346.339 1.057 0 40 EDAB CC(C)N1C[C@]2(CCN(C(=O)Cc3ccncc3)C2)COCC1=O 2037984933 SDVUYRPVGZHERH-GOSISDBHSA-N 331.416 1.110 0 40 EDAB O=C(c1cc[nH]c1)N1CCc2ccc(C(=O)N3CCCC3)n2CC1 1565544315 DSKVWTRVRKMFQL-UHFFFAOYSA-N 326.400 1.751 0 40 EDAB CC(C)NC(=O)[C@H]1CN(C(=O)[C@]2(C)CC=CCC2)Cc2ncnn2C1 1565550192 UABOSRIDZSSPCE-KBXCAEBGSA-N 345.447 1.508 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc3ccccc3s2)C1 13789867 AMNLQQLQHBSGRG-JTQLQIEISA-N 339.442 1.906 0 40 EDAB CN(C)C(=O)C1(Nc2ccccc2)CCN(Cc2cnn(C)c2)CC1 2055751452 ZSDJOOJOXAQONM-UHFFFAOYSA-N 341.459 1.955 0 40 EDAB C[C@H](C(=O)Nc1cccc2nsnc12)n1nc2c(cc1=O)CCC2 575620404 QPTXMHKZAUEXON-SECBINFHSA-N 341.396 1.936 0 40 EDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCOCCn1cccn1 575620408 SIXKHFADJNUENX-ZDUSSCGKSA-N 347.371 1.212 0 40 EDAB Cn1cc(-c2noc(CNc3nccc(C(F)(F)F)n3)n2)cn1 575616482 LKPDAPHHQSPLJQ-UHFFFAOYSA-N 325.254 1.891 0 40 EDAB O=C(Nc1ncccn1)c1cccc(S(=O)(=O)N2CCCC2)c1 10434395 PNECRHSXRFFOIV-UHFFFAOYSA-N 332.385 1.513 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cccc(F)c1 40162008 JKLSPDXZSAVCHG-BMLIUANNSA-N 333.363 1.723 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2cccc(C(F)(F)F)c2)n(C)c1=O 93725 ZWRIANJZNDIMFH-UHFFFAOYSA-N 338.289 1.501 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)c2occc2-c2ccccc2)CC1 40480869 BFYYZNUEASEWBE-UHFFFAOYSA-N 334.397 1.664 0 40 EDAB O=c1[nH]c(=O)n(Cc2cccnc2)c2c1CN(C1CCCCC1)CN2 20479390 XULFWKNZNMOCFI-UHFFFAOYSA-N 341.415 1.498 0 40 EDAB O=C(Cn1nnc2ccccc21)N1CCC(CN2CCOCC2)CC1 40539045 NLCQPKUHPOJFMF-UHFFFAOYSA-N 343.431 1.002 0 40 EDAB CN(C)c1cc(CNC(=O)NC[C@@H]2COc3ccccc3O2)ccn1 40512804 RTWPHZBNFXFYRE-CQSZACIVSA-N 342.399 1.787 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(Cl)s1 40510119 ASVGJFCOVAUTQT-QMMMGPOBSA-N 341.820 1.897 0 40 EDAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H](C)Cn1ccnc1 40522654 WNQVCRBPOOWMRH-LBPRGKRZSA-N 331.372 1.678 0 40 EDAB C[C@@H](CNS(=O)(=O)c1cnn(C)c1)N1CCc2ccccc2C1 40528197 IYHINKXVWSFIQE-ZDUSSCGKSA-N 334.445 1.145 0 40 EDAB CCN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CCCC1 40500846 KECSVMUTYYAHJK-UHFFFAOYSA-N 330.388 1.037 0 40 EDAB C[C@@H](NC(=O)CS(=O)(=O)c1nncn1C)c1ccccc1Cl 40539975 LCURPHZENWSAGN-SECBINFHSA-N 342.808 1.120 0 40 EDAB CNC(=O)c1ccc(CN(CCC(=O)N2CCOCC2)C2CC2)cc1 40555422 ZBUMUIZXURRNLT-UHFFFAOYSA-N 345.443 1.260 0 40 EDAB O=C(Nc1nccs1)C1=C(c2ccccc2)S(=O)(=O)CCO1 31806880 TZICJYBORLTZAW-UHFFFAOYSA-N 336.394 1.895 0 40 EDAB c1ccc(CCNc2nc(N3CCOCC3)c3nccnc3n2)cc1 32103598 WHCYLBJNTDNYHZ-UHFFFAOYSA-N 336.399 1.911 0 40 EDAB CS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 51896813 IAIXSCKHRMXXEE-UHFFFAOYSA-N 331.415 1.092 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccc1Cl 17028325 FRKASVZMYIGRCP-UHFFFAOYSA-N 329.743 1.982 0 40 EDAB CC(C)CN1C[C@H](C(=O)Nc2ccc(-n3cnnn3)cc2)CC1=O 29784998 GAHXUUDTLAHMMR-GFCCVEGCSA-N 328.376 1.105 0 40 EDAB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1)c1ccc(Cl)s1 69482824 GGIFEODQROMHJL-ZJUUUORDSA-N 348.877 1.393 0 40 EDAB Cc1cnc(S(=O)(=O)CCn2cc(Br)cn2)nc1 91576250 JDXLLWGPORHNJY-UHFFFAOYSA-N 331.195 1.218 0 40 EDAB O[C@@H](CN[C@H]1CCc2ncnn2C1)c1ccc(C(F)(F)F)cc1 69875376 WGCJBACOZWSXIQ-STQMWFEESA-N 326.322 1.935 0 40 EDAB C[C@H](Sc1nnc(CN2CCCCC2)o1)C(=O)N1CCNC1=O 32776044 QRLNWBNALMFWPV-JTQLQIEISA-N 339.421 1.088 0 40 EDAB O=C(Nc1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C1CC1 32857912 MRCHZAFMNBKAAE-CYBMUJFWSA-N 336.413 1.086 0 40 EDAB COCCOCC(=O)Nc1ccc(I)cc1 32868781 UTBOKVWBJUHQKW-UHFFFAOYSA-N 335.141 1.893 0 40 EDAB COc1ccc([C@H](NC(=O)c2cnn(C)c2C)c2nccn2C)cc1 29987433 GMNXVHKGSJPDCE-INIZCTEOSA-N 339.399 1.990 0 40 EDAB CC(C)[C@](C)(CNC(=O)COCC1CC1)NC(=O)COCC1CC1 75612060 CSGYICKWODMKAJ-SFHVURJKSA-N 340.464 1.487 0 40 EDAB CCNC(=O)CN(CC)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 69848976 VIORENNKXFRUBS-RDJZCZTQSA-N 346.475 1.990 0 40 EDAB COc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3cccs3)s2)cc1 7715392 KWXJYPYQSRIMQL-KAVGSWPWSA-N 343.429 1.999 0 40 EDAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCCSCC2)cc1 32935845 AWCYGDFFWJMLRJ-UHFFFAOYSA-N 340.470 1.941 0 40 EDAB COc1ccc(F)cc1CN1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 76055782 UBDIFEDVGZYHBE-KSSFIOAISA-N 349.450 1.819 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2ccc(-n3cccn3)cc2)n(C)n1 10349238 PZWSGDMEFRENNF-UHFFFAOYSA-N 339.355 1.710 0 40 EDAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1 27975666 OXHLRWZLAIIUKH-ZBFHGGJFSA-N 337.441 1.636 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 46883235 HHRLVCCQEQAXKO-MGPQQGTHSA-N 348.534 1.001 0 40 EDAB CN(C)CC1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 78394465 IELNOOSLYDYAIF-UHFFFAOYSA-N 328.416 1.197 0 40 EDAB COC(=O)Nc1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 53595896 FUUGGTJQXBRYRF-CYBMUJFWSA-N 333.388 1.738 0 40 EDAB C[C@@H](OC(=O)CCc1nc(-c2cccs2)no1)C(=O)NC1CC1 24204533 JTDWRROFQSMPTK-SECBINFHSA-N 335.385 1.941 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2nc3nc(C)cc(C)n3n2)CC1 24471339 QKOHLJOFQUMAOA-UHFFFAOYSA-N 346.391 1.092 0 40 EDAB Cc1cc(C(=O)N2CSC[C@H]2C(=O)NCc2ccccc2)on1 24661588 HFQUVGFDKCOCMB-ZDUSSCGKSA-N 331.397 1.815 0 40 EDAB COc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C 20768407 NVLULOPJQWOMGW-UHFFFAOYSA-N 334.397 1.581 0 40 EDAB CN(C)C(=O)c1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O 1391168 QKALKALKOPKKTJ-UHFFFAOYSA-N 336.294 1.920 0 40 EDAB Cc1ccc(C(=O)NCCn2c(=O)[nH]c3ccccc3c2=O)cc1F 24960098 FRFWFRGWESWHOU-UHFFFAOYSA-N 341.342 1.567 0 40 EDAB COc1ccc(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cn1 25433036 XLLLKFNBBBANSA-UHFFFAOYSA-N 340.339 1.394 0 40 EDAB CCCc1n[nH]c([C@H]2CN([C@H](C)C(=O)Nc3cc(C)on3)CCO2)n1 107141218 OMXUHYYVMRQBEQ-VXGBXAGGSA-N 348.407 1.454 0 40 EDAB CN(CC(=O)NCc1ccncc1)S(=O)(=O)/C=C/c1ccccc1 12552507 RXJYWHVCWDMGQW-FMIVXFBMSA-N 345.424 1.630 0 40 EDAB Cn1cc(CCC(=O)NCCc2cc(F)cc3c2OCOC3)cn1 56511465 ZHKBUOOLKBBMMB-UHFFFAOYSA-N 333.363 1.717 0 40 EDAB CNC(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 44152210 QUBZJZLRWVHWIX-UHFFFAOYSA-N 342.330 1.705 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 108060601 XHFSHZHNQHVJFC-ZQDZILKHSA-N 328.478 1.743 0 40 EDAB CN1C(=O)C(C2CCN(Cc3ccccc3)CC2)C(=O)N(C)C1=O 103720858 IFCYXLMPWJVASZ-UHFFFAOYSA-N 329.400 1.565 0 40 EDAB CCOC(=O)c1ccc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 103618035 HFONFDOIGODJRZ-NPSOMJIGSA-N 343.335 1.234 0 40 EDAB Cc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1S(N)(=O)=O 58229943 UXSGSBJYGVWRFT-QMMMGPOBSA-N 340.323 1.548 0 40 EDAB Cc1cc(CNC(=O)CS(=O)(=O)C[C@@H]2CCCO2)ccc1F 44938308 VCXMNBKMEJRRNY-ZDUSSCGKSA-N 329.393 1.344 0 40 EDAB Cc1cc(C(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)sc1C 44916307 ZFGPNPQDKJHDME-GJZGRUSLSA-N 338.473 1.832 0 40 EDAB COc1ncccc1CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 44968842 RNYRMQFNYNPALN-CQSZACIVSA-N 342.403 1.348 0 40 EDAB COC(=O)[C@H](C)Sc1nnc(N2CCCC2)n1C[C@@H]1CCCO1 58393853 OHPXWQOPHHCDIS-RYUDHWBXSA-N 340.449 1.711 0 40 EDAB COc1cc(NC(=O)C2=NNC(=O)CC2)ccc1N1CCCC1=O 11446067 RAGKCBWMJLUIJN-UHFFFAOYSA-N 330.344 1.027 0 40 EDAB CC(=O)N1CCCN(C(=O)NCc2ccc(OC(C)C)nc2)CC1 48290142 ZCWHRHKQAZYCFL-UHFFFAOYSA-N 334.420 1.633 0 40 EDAB O=C(Cn1ccccc1=O)N[C@H]1CCCN(Cc2ccccc2)C1 48277758 STDRSHWFNRFTJL-KRWDZBQOSA-N 325.412 1.629 0 40 EDAB Cc1cc(N[C@H](C)c2cccc(S(N)(=O)=O)c2)n2ncnc2n1 48309764 WONVNISYQJVKDA-SNVBAGLBSA-N 332.389 1.253 0 40 EDAB Cc1nn2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc2nc1O 69561327 PBLIGAOEKNOZMG-IUCAKERBSA-N 336.421 1.415 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1coc(Br)c1)C2 69571661 SONMCGNCYRPSPP-UHFFFAOYSA-N 325.166 1.852 0 40 EDAB COCCCNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 12903014 ZDPYCSNHYMBIDV-UHFFFAOYSA-N 337.372 1.668 0 40 EDAB biogenic COC(=O)c1ccc(N2CCN(C(=O)c3cnn(C)c3)[C@H](C)C2)cc1 69620600 YKIXTOGNGKXDTP-CYBMUJFWSA-N 342.399 1.558 0 40 EDAB CCS(=O)(=O)NCCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 69619303 DGEBCQIFTUTSFP-WCQYABFASA-N 345.852 1.434 0 40 EDAB CCc1noc(C)c1C(=O)N1CCN(c2nc(C)cc(OC)n2)CC1 69630094 JCGPWVDLCKEIAM-UHFFFAOYSA-N 345.403 1.615 0 40 EDAB Cc1cnc(CCNC(=O)CCN2C(=O)COc3ccccc32)s1 69737317 YMHIIIVVAIFHKL-UHFFFAOYSA-N 345.424 1.926 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 69935942 HDIKJQXOCSMTEP-ZBFHGGJFSA-N 349.479 1.543 0 40 EDAB COC1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1 69739428 HFNCWOSZHZRZHE-OAHLLOKOSA-N 349.450 1.974 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)cn1 49543283 NPIXDXZWLRRCOX-ZFWWWQNUSA-N 346.431 1.409 0 40 EDAB biogenic Cc1ccc(-c2nnn(C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)n2)cc1 65475219 LJGCKPQFYZNMGV-IIAWOOMASA-N 331.420 1.119 0 40 EDAB C[C@@H](NC(=O)N1CCC(NS(C)(=O)=O)CC1)c1cccc(F)c1 65440096 QFXXGSVCFIFLSW-LLVKDONJSA-N 343.424 1.610 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC(=O)c1cccc2c1OCCO2 65643581 HDCRMBVBQFREPJ-UHFFFAOYSA-N 338.341 1.181 0 40 EDAB C[C@H](OC(=O)C1CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5507684 YMLOSJDBLIWHPC-JTQLQIEISA-N 340.401 1.394 0 40 EDAB Cc1cc(C)nc(NNS(=O)(=O)c2cccc3nsnc23)n1 19079847 UDNADBLIOXRVKU-UHFFFAOYSA-N 336.402 1.404 0 40 EDAB NC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1 6755233 IJJHNEFWLFPSKR-UHFFFAOYSA-N 346.818 1.647 0 40 EDAB C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5860100 RFCSPYCVNAAOBI-JTQLQIEISA-N 338.360 1.879 0 40 EDAB Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1C1CC1 7235536 LDEIZXVRPSTACK-UHFFFAOYSA-N 346.412 1.830 0 40 EDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCSC2=O)cc1 15605132 GXJNLBZOTZMSOZ-UHFFFAOYSA-N 343.430 1.044 0 40 EDAB Cc1n[nH]cc1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 68237991 INEPFRLVIHHROM-NSHDSACASA-N 342.355 1.116 0 40 EDAB Cc1ccc(Nc2nc(N)nc(CSc3n[nH]c(N)n3)n2)cc1 8025250 YRBMHEXQLYUDPY-UHFFFAOYSA-N 329.393 1.498 0 40 EDAB C[C@H](NC(=O)NC[C@H]1CCCO1)c1ccccc1NS(C)(=O)=O 69040198 KDJDVFSMFMGHCK-NWDGAFQWSA-N 341.433 1.597 0 40 EDAB CC(C)(C)c1csc(CCNC(=O)C[C@H]2CCS(=O)(=O)C2)n1 71856421 BBEDUJVHUZUQKX-LLVKDONJSA-N 344.502 1.924 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccc(C)cc1Cl 71892888 QAPDJICYSCAULV-MFKMUULPSA-N 326.780 1.195 0 40 EDAB CCc1ncncc1C(=O)N1CCN(Cc2c(C)noc2C)CC1 71820931 VBNOOADFQHDUOY-UHFFFAOYSA-N 329.404 1.602 0 40 EDAB COc1cccc(S(=O)(=O)CCN2CCC[C@@H]2Cn2cccn2)c1 71875748 OSBRTQYHTQAJCE-OAHLLOKOSA-N 349.456 1.830 0 40 EDAB CCS(=O)(=O)CCNC(=O)NCc1nc(C(C)(C)C)cs1 71856714 LABQSVVQGGMVCW-UHFFFAOYSA-N 333.479 1.675 0 40 EDAB Cc1nnc(O)c(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1C 71841528 WOJYPLHEFKYYIZ-GFCCVEGCSA-N 346.362 1.012 0 40 EDAB NC(=O)C1CCN(CCCS(=O)(=O)c2ccc(F)cc2)CC1 71824641 FRJNUCMNWJOKHE-UHFFFAOYSA-N 328.409 1.187 0 40 EDAB CCc1ccc([C@H]2CCCN2S(=O)(=O)N2CCCOCC2)o1 78880361 DUWZKJHHUIJEMB-CQSZACIVSA-N 328.434 1.946 0 40 EDAB Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCO[C@H](C)C3)c2)cc1 72275240 PCTXQKNRJJEAPG-CQSZACIVSA-N 348.424 1.894 0 40 EDAB OC[C@@H]1CCCN1c1cc(NCCc2ccc3c(c2)OCO3)ncn1 72276015 RCYGPZXAHISSPU-AWEZNQCLSA-N 342.399 1.821 0 40 EDAB COc1ccccc1COC[C@H](O)CN[C@@H]1CCc2nc(C)nn2C1 72254068 UXSGLMRJFBOOIG-HZPDHXFCSA-N 346.431 1.077 0 40 EDAB Cc1ccc(-n2nc(C(C)C)cc2NC(=O)Cn2cnnn2)cc1 72292276 XNMOMGCEVIAHMW-UHFFFAOYSA-N 325.376 1.929 0 40 EDAB Cn1cc(N2CC[C@@H](Nc3cnn(Cc4ccccc4)c3)C2=O)cn1 97139975 HURFFQXCXABUOM-QGZVFWFLSA-N 336.399 1.882 0 40 EDAB Cc1cccc(-c2noc(CN3CCc4nn(C)c(=O)cc4C3)n2)c1 72302461 NNEUHYCAKGDLSG-UHFFFAOYSA-N 337.383 1.697 0 40 EDAB OC1(CN2CCc3ncnc(N4CCOCC4)c3C2)CCCCC1 97200422 MCXIAMQHPUTDCG-UHFFFAOYSA-N 332.448 1.367 0 40 EDAB CC(C)c1nsc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)n1 97233389 AAEZJVSSGYDTQC-UHFFFAOYSA-N 333.417 1.312 0 40 EDAB Cn1cc(S(=O)(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)cn1 84318770 FHMKRWQTSAKILO-UHFFFAOYSA-N 339.327 1.889 0 40 EDAB COc1ccccc1CC(C)(C)C(=O)N[C@H](C)C(=O)N1CCOCC1 79032417 QRRRCVZFGBLNAP-CQSZACIVSA-N 348.443 1.627 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)c1cc(Cl)c(Cl)[nH]1 97360650 QWDDYFMQMYOWON-UHFFFAOYSA-N 342.248 1.723 0 40 EDAB CC1(C)OC[C@@H](CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)O1 79107420 ACEXUVMSXDWHIO-IAGOWNOFSA-N 348.443 1.545 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Br)cc2F)C[C@H](C(N)=O)O1 79106963 OTYYNMJICQFACL-RDDDGLTNSA-N 345.168 1.303 0 40 EDAB Cc1noc(CCCNC(=O)N2CCO[C@H](Cc3ccccc3)C2)n1 95463688 FKZQUDQTJIBWNM-MRXNPFEDSA-N 344.415 1.964 0 40 EDAB CC(C)N(C)C(=O)C1CCN(C(=O)C[S@](=O)C2CCCC2)CC1 95417725 OKZZNZXBVZPQNV-HSZRJFAPSA-N 342.505 1.783 0 40 EDAB Cn1ccc(CNC(=O)c2ccncc2I)c1 95447222 TVHQYSLSFQILNG-UHFFFAOYSA-N 341.152 1.955 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1C 98013630 WALWRVKYZXQIBH-OAHLLOKOSA-N 348.472 1.984 0 40 EDAB C[C@@H](C(=O)Nc1cccc(F)c1)[S@@](=O)CCCC(=O)N(C)C 95965818 OMMZEFPQVWIUMP-KPWVOAKYSA-N 328.409 1.770 0 40 EDAB COc1cc(=O)n(CC(=O)NCC(F)(F)F)cc1Br 95979990 YREBKCOUAJHWII-UHFFFAOYSA-N 343.099 1.298 0 40 EDAB C[C@@H](CNC(=O)NCC1(O)CCCCCC1)CN1CCN(C)CC1 74655101 MRGIVJCHEQFDJR-INIZCTEOSA-N 340.512 1.254 0 40 EDAB O=C1CC2(CCCC2)C(=O)N1CCN1C(=O)c2ccccc2C1=O 9949076 WEMPTAZLKIXWFN-UHFFFAOYSA-N 326.352 1.602 0 40 EDAB Cc1nn(C)cc1CCC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 89544339 BUSHXAOIWBALIZ-MRXNPFEDSA-N 349.456 1.563 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@H]1CCCCO1 75123796 QTFUFSXGEGAOAM-CYBMUJFWSA-N 342.399 1.368 0 40 EDAB CCOC(=O)Cn1cccc(-c2nc(-c3ccncc3)no2)c1=O 75166144 HZTKKJPKVOOCSO-UHFFFAOYSA-N 326.312 1.523 0 40 EDAB CON(C)C[C@H](O)Cn1cc(NC(=O)Nc2cc(C)cc(C)c2)cn1 75143800 RPDFFPDEJOOOSE-INIZCTEOSA-N 347.419 1.998 0 40 EDAB COc1ccc(CC2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 75572988 ONDXKMUZZPXFGR-SJORKVTESA-N 339.457 1.108 0 40 EDAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C)CC1 23970901 JCUSKLFMWQCUIV-LBPRGKRZSA-N 349.460 1.720 0 40 EDAB COc1ccc(-n2nnnc2C2(N3CCOCC3)CCCC2)cc1 35622078 XXYLPHYZSKWLRT-UHFFFAOYSA-N 329.404 1.772 0 40 EDAB Cc1nnc(CNC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C 79049382 JHDQMKUPOJBDGA-LBPRGKRZSA-N 337.424 1.529 0 40 EDAB Cc1nnc(Nc2cccc([C@H]3CCCN(C(=O)CO)C3)n2)s1 72376066 XZLQZIBXXZFXTG-NSHDSACASA-N 333.417 1.683 0 40 EDAB COc1nscc1CN1CC[C@@]2(CCN(C(=O)c3ccon3)C2)C1 1041101032 JTKCPQQYJCPTHN-MRXNPFEDSA-N 348.428 1.878 0 40 EDAB CCn1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)n1 72241525 JBDLPNIXEBVTGD-HOTGVXAUSA-N 346.362 1.579 0 40 EDAB CC(=O)N1CCN(c2ccc(CNC(=O)OC(C)(C)C)cn2)CC1 72225629 JCSRWQIEJJNWSR-UHFFFAOYSA-N 334.420 1.775 0 40 EDAB COc1ccc(COCC(=O)N[C@@H]2CCc3nc(C)cn3C2)cc1 72279032 MRZKEUCJFPBNOA-OAHLLOKOSA-N 329.400 1.848 0 40 EDAB c1cnc(N2CCC[C@H](Cc3ccc(N4CCOCC4)nn3)C2)nc1 72387279 NJPBHXNTOMTQOI-OAHLLOKOSA-N 340.431 1.562 0 40 EDAB CC(=O)N1CCC(N2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)CC1 77266899 MBAATCZEJFEXNW-GOSISDBHSA-N 348.491 1.752 0 40 EDAB biogenic,in-vitro COCc1cc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc(C(=O)O)c1 562350846 CXVXPNPSQHOKDN-GFCCVEGCSA-N 332.356 1.481 0 40 EDAB Cc1csc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)n1 72238009 ZJJNIUMQGVOCBE-ZIAGYGMSSA-N 331.397 1.989 0 40 EDAB COC[C@@H](NS(=O)(=O)c1ccc(C(=O)O)cc1C)c1ccco1 567798626 SZCUBZUQKNUDQY-GFCCVEGCSA-N 339.369 1.952 0 40 EDAB C[C@@H]1CN(c2ccnc(C(=O)N3CCN4CCC3CC4)c2)C[C@@H](C)O1 192627084 AQMIEVPVHRVCDL-HUUCEWRRSA-N 344.459 1.615 0 40 EDAB O=C(Cn1cc(COc2ccc(F)cc2)nn1)NCc1ccco1 227160949 OBGMSAIOCGYQHO-UHFFFAOYSA-N 330.319 1.906 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)N1CCN[C@@H](c2cccc(F)c2)C1 328665018 YYKKAAVFMMZTOW-IUODEOHRSA-N 340.420 1.123 0 40 EDAB Cc1ccc2c(c1)O[C@@H](C(=O)N[C@@H](C)C(C)C)CN2S(C)(=O)=O 225218641 GCEKYTOWUDKCSJ-SWLSCSKDSA-N 340.445 1.683 0 40 EDAB CCn1ccnc1CS(=O)(=O)c1nnc(-c2ccoc2C)n1C 195107269 WDQLWAGFWACOHE-UHFFFAOYSA-N 335.389 1.574 0 40 EDAB C[C@H](CC[C@H]1CCCO1)NC(=O)N1CCN(Cc2ccon2)CC1 96439670 GULKSSYUHXPNQO-GDBMZVCRSA-N 336.436 1.850 0 40 EDAB CN1C(=O)C[C@H](CNC(=O)CCn2cccn2)[C@@H]1c1ccccc1 96500312 PKEDQVIHGKCQTK-QAPCUYQASA-N 326.400 1.609 0 40 EDAB Cn1cc(N2CCN(Cc3ccccc3)C3(CCNCC3)C2=O)cn1 96230352 JAPINXIVLBDLBR-UHFFFAOYSA-N 339.443 1.391 0 40 EDAB CCn1cc(C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)cn1 96422422 UMXPHEBAOSMXCZ-MRXNPFEDSA-N 341.459 1.844 0 40 EDAB Cn1nc(COCC2CC2)c2c1CN(C(=O)c1ccnnc1)CC2 96259903 WSDRZRPDCPIGSM-UHFFFAOYSA-N 327.388 1.335 0 40 EDAB CO[C@H]1C[C@@H](C(=O)NCc2ccnc(N3CCCCCC3)c2)N(C)C1 583619123 MDWZHZJIXNYMDK-IRXDYDNUSA-N 346.475 1.797 0 40 EDAB Cc1cnnn1C[C@@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1cccnc1 96250282 VHKXRNPCTOSFLP-HRCADAONSA-N 327.388 1.301 0 40 EDAB CCN1CCC[C@H]1CNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1 95479920 ZSPKYWSFSCDAOG-KRWDZBQOSA-N 345.491 1.910 0 40 EDAB Cc1ncoc1C(=O)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96219271 WBGRUFVIUXDDIQ-ZENOOKHLSA-N 329.356 1.829 0 40 EDAB Cc1cc(Cl)ccc1C(=O)N1CCO[C@H](CN(C)CC(=O)O)C1 580073593 NIYYOGHVMBNGJU-CYBMUJFWSA-N 340.807 1.506 0 40 EDAB O=C(COc1ccccc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 96182472 VNPRYPHOLZVPDJ-LJQANCHMSA-N 340.423 1.943 0 40 EDAB C[C@@H]1CN(C(=O)NCCOc2ccc(F)cc2F)CC[S@@](=O)C1 580937365 MIKRMINAVRWETR-QVQLBTGDSA-N 346.399 1.754 0 40 EDAB C[C@H]1CC[C@H](C)N1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 95411859 KCHARFHGXYTRHR-UWVGGRQHSA-N 328.372 1.433 0 40 EDAB CS(=O)(=O)N1CC[C@H](CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 249275248 LUTWSSRGCYHUNZ-IJLUTSLNSA-N 328.400 1.979 0 40 EDAB Cn1cnc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 241470616 NWNCGCJXAUDPRM-JKSUJKDBSA-N 328.416 1.033 0 40 EDAB CC(C)CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 604382293 NLPQWFKFLGSNPT-QBPKDAKJSA-N 335.492 1.920 0 40 EDAB biogenic,in-vitro CN(C)C(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1 249637309 WXSWTJBWYCXGTA-RRFJBIMHSA-N 338.429 1.234 0 40 EDAB CN(C)c1cnc(C[C@H]2CCCN(C(=O)c3ccnnc3)CC2)cn1 257281616 OQDFSAOPOADYFX-AWEZNQCLSA-N 340.431 1.818 0 40 EDAB COc1ncc(CN2CCO[C@@H](CCc3ccnc(N)c3)C2)cn1 257334614 YGRLVCFQQWSZQI-HNNXBMFYSA-N 329.404 1.296 0 40 EDAB CCS(=O)(=O)N1CCO[C@H](CCc2ccnc(N(C)C)c2)C1 257263315 LPHCOKRXZYQUFS-CQSZACIVSA-N 327.450 1.131 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCOC[C@@H](Cc2ccncn2)C1 257294720 QVJLZLDRELKRHL-ZDUSSCGKSA-N 337.383 1.684 0 40 EDAB Cc1ccc(Nc2ccccc2C(=O)N2CC[C@](O)(C(N)=O)C2)cc1 585082061 WMHGXJJRZFURII-LJQANCHMSA-N 339.395 1.801 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCCCN3C)CC2)c1 585131517 XXHAQQKOCCESSS-KRWDZBQOSA-N 345.443 1.464 0 40 EDAB CNC(=O)c1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CC2)nn1 585119510 JKTMABOOKOQHJW-UHFFFAOYSA-N 343.362 2.172 0 40 EDAB CN1C(=O)CS/C1=C\C(=O)N1CCO[C@](C)(c2ccccc2)C1 585131619 AQUCZZGCRPSTLK-RNIVLKNTSA-N 332.425 1.807 0 40 EDAB Cc1nn(CCS(=O)(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(=O)o1 585135188 KFBZENVHCIWJGN-LALPHHSUSA-N 343.449 1.279 0 40 EDAB Cc1cc(-c2cc(C)nc(CC3CCN(S(C)(=O)=O)CC3)n2)[nH]n1 257212894 CFJQNCCWLPSTOZ-UHFFFAOYSA-N 349.460 1.698 0 40 EDAB CO[C@@]1(C(=O)O)CCN(C(=O)c2cccc(Nc3cnccn3)c2)C1 1599075919 WSHWFXFAHFSIOX-KRWDZBQOSA-N 342.355 1.536 0 40 EDAB CC(C)c1nnc(CCC(=O)N2CCO[C@@H](c3nccnc3N)C2)o1 257244440 ILHNDWVQECYFEP-LLVKDONJSA-N 346.391 1.098 0 40 EDAB COCc1cccc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)c1 257321925 WDWHEOGTXXKNID-BRWVUGGUSA-N 329.400 1.914 0 40 EDAB CCn1cc(C(=O)NC2(c3noc(C(F)(F)F)n3)CCCC2)nn1 1615036809 ACIVGTLSFWFDAK-UHFFFAOYSA-N 344.297 1.899 0 40 EDAB COC[C@H]1CCCN1S(=O)(=O)CCCNC(=O)OC(C)(C)C 1615549480 NHSIKHYPCHAXFU-GFCCVEGCSA-N 336.454 1.342 0 40 EDAB Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccnc2)OCCO)cc1 96338165 CCFHORZQAWFWQW-INIZCTEOSA-N 343.383 1.195 0 40 EDAB Cc1nc2ccc(N3C(=S)N[C@@H]4CS(=O)(=O)C[C@H]43)cc2s1 575424283 UMVZDJRGLFFNOO-GHMZBOCLSA-N 339.467 1.465 0 40 EDAB Cc1n[nH]cc1C(=O)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585287901 HAHIHBBTMDOWGM-YXJHDRRASA-N 327.384 1.478 0 40 EDAB CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC[C@H](O)CN1CCN(CCO)CC1 585657671 SPYRNWLNZNVRQZ-MJQMVNBJSA-N 340.508 1.189 0 40 EDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)NCc1cc[nH]n1 58296666 RRLRJERPSZIXGS-UHFFFAOYSA-N 338.371 1.112 0 40 EDAB Cc1ccc([C@H](CNC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)N(C)C)cc1 58293655 SYBXPMZLBMEYNU-UAGQMJEPSA-N 331.460 1.876 0 40 EDAB Cc1cc(CN(C)C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)no1 69484079 FMUACINVDKJIDL-UHFFFAOYSA-N 329.360 1.137 0 40 EDAB C[C@@H](O)CN1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 69950611 QXKSERMMSPPAJU-CYBMUJFWSA-N 346.880 1.112 0 40 EDAB CC(C)[C@@H]1CCCN1CC(=O)NCc1ccc(OCC(N)=O)cc1 71828287 IZZJJLLQVSVBLX-INIZCTEOSA-N 333.432 1.287 0 40 EDAB O=C(O)c1csc(C2CCN(C(=O)O[C@@H]3CCOC3)CC2)n1 1615001914 KTRHMRBITDENMM-SNVBAGLBSA-N 326.374 1.946 0 40 EDAB Cn1nc(C2CC2)cc1C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1615037896 YCWZXUFUXSIUDM-OAHLLOKOSA-N 345.424 1.697 0 40 EDAB Cc1oc(C(=O)N2CCCC[C@]23CCOC3)cc1S(C)(=O)=O 1615616097 VQHZINNWRKNWDP-OAHLLOKOSA-N 327.402 1.777 0 40 EDAB COc1ccc(S(=O)(=O)N2c3ncnn3CC[C@H]2C)cc1F 1616042280 QBDHHKKZSITIAL-SECBINFHSA-N 326.353 1.413 0 40 EDAB CC(C)NC(=O)c1nc(O)c2nnn(Cc3ccccc3Cl)c2n1 5625087 SEYOSNQFFUKOMO-UHFFFAOYSA-N 346.778 1.767 0 40 EDAB O=C(Cn1nc(-c2cccs2)n(-c2cccnc2)c1=O)NC1CC1 12117429 YGAFBOYKNSBGKK-UHFFFAOYSA-N 341.396 1.436 0 40 EDAB O=C(Cn1nc2c3ccccc3ncn2c1=O)NC1CCCCC1 12183023 JHVOVTZXNGYYKD-UHFFFAOYSA-N 325.372 1.493 0 40 EDAB Cc1nc(NC(=O)CSc2nnc[nH]2)nc2c1C(=O)C[C@@H](C)C2 13636249 ZEZHSAQIWZVVSG-ZETCQYMHSA-N 332.389 1.399 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cccc(Cl)c3)N2N1 14607167 STZSHHIYQLVIEZ-LLVKDONJSA-N 333.779 1.595 0 40 EDAB COCCNC(=S)NC[C@@H](c1ccccc1OC)N1CCCC1 15348425 UMAWGUUUHZLZHQ-HNNXBMFYSA-N 337.489 1.943 0 40 EDAB O=C(C1CC1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19406840 XHAAGFMNHUYPCX-GRYCIOLGSA-N 325.363 1.917 0 40 EDAB Cc1ccnc(N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)n1 1888854291 WJCXXZZCKMBVEP-VXGBXAGGSA-N 330.367 1.301 0 40 EDAB CN(C)C(=O)[C@@H]1CN(Cc2ccc(C(N)=O)cc2)c2ccccc2O1 27374587 AYQPZFZVJOBWMJ-KRWDZBQOSA-N 339.395 1.641 0 40 EDAB Cc1cc([C@@H]2CCCN2C(=O)CN2C(=O)NC3(CCCC3)C2=O)no1 29236773 RXHHNOUTDBDIHB-ZDUSSCGKSA-N 346.387 1.511 0 40 EDAB O=C([C@H]1CCOC1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1776001872 OYDLPLIYDKITLB-HNNXBMFYSA-N 341.411 1.672 0 40 EDAB CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCN1C(=O)c1cncs1 2037655564 NJYZFKFZNROXBC-QMMMGPOBSA-N 326.403 1.247 0 40 EDAB C[C@]1(C(=O)N2C[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)CC=CCC1 1565550532 CEUGWPXHVNJQAN-FCEWJHQRSA-N 342.443 1.887 0 40 EDAB COc1ccc(S(=O)(=O)NCCOCC(F)(F)F)cc1OC 4653292 RNXZJZZVXLMOJH-UHFFFAOYSA-N 343.323 1.561 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2cc(C)cs2)C1 2055772024 RNIKKRYEHPOSFP-MRXNPFEDSA-N 332.429 1.631 0 40 EDAB CCOCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC)CC1 2055738660 HYVIUTYBBBVPMW-UHFFFAOYSA-N 337.395 1.381 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CC[C@H](Oc2cnsn2)C1 1775967516 VAWCLWHJHNWPFF-NSHDSACASA-N 348.384 1.630 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)cc1C 49983246 HTCLTDWUUIVSHT-UHFFFAOYSA-N 348.472 1.506 0 40 EDAB C/C=C/C(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148476 HOQJUJQJXLOWCK-NSCUHMNNSA-N 333.310 1.380 0 40 EDAB O=c1ccncn1CC1CCN(c2ncnc3c2CCCC3)CC1 585637948 WTJAMDDPROBTPM-UHFFFAOYSA-N 325.416 1.829 0 40 EDAB COc1ccccc1S(=O)(=O)NC[C@H]1CCCN1c1ncccn1 618256443 ILGPRLCLHVZTSI-CYBMUJFWSA-N 348.428 1.433 0 40 EDAB O=C(CSCc1ccccc1)NC[C@H](O)Cn1ccccc1=O 211127498 RQSFIJRFRLUFJW-HNNXBMFYSA-N 332.425 1.259 0 40 EDAB C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 30377605 MCTXGMOYKDYSSS-FZMZJTMJSA-N 344.415 1.283 0 40 EDAB Cc1cc(C)c(CNC(=O)c2cnn(C)c2-n2cccc2)c(=O)[nH]1 30937777 PERYSSQPMXWPDF-UHFFFAOYSA-N 325.372 1.446 0 40 EDAB CCc1nnc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 100301710 KFZJQFDEIOYMBO-DWFQIMNCSA-N 346.412 1.235 0 40 EDAB COC(=O)C[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(C)cc1 31100516 XNZVMNCEDHVPHD-CQSZACIVSA-N 329.356 1.123 0 40 EDAB Cc1cccc(-n2ncc(C(=O)NCCCN3CCOCC3)c2C)c1 40493810 VBEVXQAXVWLTFI-UHFFFAOYSA-N 342.443 1.941 0 40 EDAB CCOc1ccc(OC[C@@H](O)Cn2nnc3ccccc3c2=O)cc1 40477422 SLFHEKJBWYMMOM-ZDUSSCGKSA-N 341.367 1.630 0 40 EDAB CCOCCCNC(=O)c1cn(-c2ccc3c(c2)OCCO3)nn1 40510370 WCEPJDXKWKZXJD-UHFFFAOYSA-N 332.360 1.195 0 40 EDAB O=C(N[C@H]1CCN2CCCC[C@H]12)C1=NN(c2ccccc2)C(=O)CC1 40534876 BXXLMXOKBFSWPQ-DOTOQJQBSA-N 340.427 1.912 0 40 EDAB C[C@@H](NS(=O)(=O)N1CCOCC1)c1ccc2c(c1)OCCCO2 40520595 ZOQDLKPNEZRYRT-GFCCVEGCSA-N 342.417 1.076 0 40 EDAB CCN(CC)C(=O)N1CCN(Cn2ncc3ccccc3c2=O)CC1 40520033 AGLKXMOIFXRDCY-UHFFFAOYSA-N 343.431 1.433 0 40 EDAB CN(C)[C@H]1CCCN(C(=O)CCNC(=O)OCC(F)(F)F)C1 69845019 HAPWYQALILXRAT-JTQLQIEISA-N 325.331 1.218 0 40 EDAB C[C@@H]1CN2CCC[C@@H]2CN1C(=O)CN1C(=O)CSc2ccccc21 69843506 CIHYWZXBPVDFDQ-ZIAGYGMSSA-N 345.468 1.820 0 40 EDAB CC1CCC(NC(=O)CN(C)CC2CCN(C[C@@H](C)O)CC2)CC1 69818264 ZLBYHVAOFWVZCA-UPTPFMHGSA-N 339.524 1.706 0 40 EDAB NC(=O)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 2653460 ORKISADSUUZMIJ-UHFFFAOYSA-N 326.308 1.269 0 40 EDAB C[S@](=O)Cc1cccc(C(=O)NCc2nnc3n2CCCC3)c1 41141783 HPPQJPKRILORQF-HSZRJFAPSA-N 332.429 1.423 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)C1 41128683 UKHRTOJCBZLGAA-LBPRGKRZSA-N 332.791 1.532 0 40 EDAB CCn1c(SCC(=O)NC(=O)NC)nnc1-c1cccs1 3516812 XAUTZYQFWYLGNS-UHFFFAOYSA-N 325.419 1.574 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@H]3OC(C)(C)O[C@@H]23)cc1 4973245 PCJMDKXWTOBFHV-MJBXVCDLSA-N 327.402 1.192 0 40 EDAB COc1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1 6259473 BFJKHHJISOXVCE-UHFFFAOYSA-N 345.330 1.528 0 40 EDAB NC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 7130826 UJVVJAPOXXCWMI-UHFFFAOYSA-N 325.324 1.722 0 40 EDAB COCC[C@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)O 52784928 MQIKJDZKLKRUPD-JTQLQIEISA-N 336.171 1.978 0 40 EDAB COc1ccnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1 52721583 KXYKUFRZTXUEAZ-HUUCEWRRSA-N 347.463 1.112 0 40 EDAB Cc1cccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1C 100646843 UKNWPUNPCQDPRV-BXMOBXRTSA-N 343.379 1.983 0 40 EDAB Cc1cccc(OCCCNC(=O)c2cnc3n(c2=O)CCS3)c1 33238611 HBPJNDUWBORTSI-UHFFFAOYSA-N 345.424 1.856 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N[C@@H]1COc2ccccc2C1 53047160 IPVSAPBWODRZMR-AWEZNQCLSA-N 337.441 1.854 0 40 EDAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCC[C@H]1Cn1cccn1 71866440 IBOATHZTHUBEKW-HOTGVXAUSA-N 340.431 1.581 0 40 EDAB O=C1C[C@@H](N(C(=O)c2csc(-c3ccccc3)n2)C2CC2)C(=O)N1 104111003 BXVKRSXCVSPRQM-CYBMUJFWSA-N 341.392 1.830 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)Cc2coc(-c3cccs3)n2)CC1 69980780 ACNZAFBXUGHQIS-GFCCVEGCSA-N 335.429 1.471 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(C[C@@H]2CCCO2)CC1 23640931 FPUWRVCVGSMLSO-INIZCTEOSA-N 346.427 1.324 0 40 EDAB CNc1cc(N2CCC[C@@H]2CNCc2c(C)nn(C)c2C)ncn1 105797887 KIFINVHHHQANMQ-CQSZACIVSA-N 329.452 1.627 0 40 EDAB Cc1ccc(NC(=O)CCNC(=O)[C@H]2C[C@H]2C)cc1-n1cnnn1 25148007 UTELGYJGMSWAMU-YPMHNXCESA-N 328.376 1.072 0 40 EDAB CC1([C@@H]2CCCN(Cc3nnnn3-c3ccccc3)C2)OCCO1 97086599 LXYOSKZBFLJQPM-CQSZACIVSA-N 329.404 1.637 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N(C2=CCCCC2)C2CC2)C[C@@H]1C 106869290 KTYIHCIZIFSZOM-HOTGVXAUSA-N 335.492 1.822 0 40 EDAB O=S(=O)(NCCOC[C@H]1CCOC1)N1CCC[C@H]1c1ccco1 107140002 FFOZRTKEGKRGHX-KBPBESRZSA-N 344.433 1.304 0 40 EDAB Cn1ncc2c(N3CCN(CCc4cccs4)CC3)ncnc21 57141379 GJUKJBOCULSSJO-UHFFFAOYSA-N 328.445 1.790 0 40 EDAB COc1cccc(NC(=O)CNC(=O)[C@@H]2Cc3ccccc3CN2)c1 35380354 ZDLMCTRPSGRJNA-KRWDZBQOSA-N 339.395 1.464 0 40 EDAB C[C@@](O)(CC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 97059362 IPYJGCYTBOUTCN-SWLSCSKDSA-N 344.333 1.564 0 40 EDAB CC[C@@H](C)NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 57486030 AXZQHZBYJLKICG-LLVKDONJSA-N 337.445 1.795 0 40 EDAB Cn1cnn(CC(=O)Nc2ccccc2C(=O)c2ccccc2)c1=O 97049252 DHKONLQCLPRRRY-UHFFFAOYSA-N 336.351 1.452 0 40 EDAB NS(=O)(=O)c1cccc(C(=O)NCCOc2ccc(F)cc2)c1 27345597 UZSMCLIIKLJGAK-UHFFFAOYSA-N 338.360 1.282 0 40 EDAB COc1ccc(CCC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1OC 44718830 WHSVXCYRKGHSNF-CYBMUJFWSA-N 341.429 1.187 0 40 EDAB Cc1ccc([C@H](CNC(=O)CCCN2C(=O)CNC2=O)N(C)C)cc1 72274769 RTPNLXMMBSDOMX-HNNXBMFYSA-N 346.431 1.046 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(C(=O)CCOc2cccc(Cl)c2)C1 72286855 XMESCDIZURVWFY-LBPRGKRZSA-N 346.836 1.259 0 40 EDAB Cc1cnc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)s1 44896078 YUMFKLONYDXYOV-NSHDSACASA-N 334.323 1.964 0 40 EDAB O=C(CN1CCN(CCn2ccnc2)CC1)N1CCc2ccccc21 77119889 SGSHXABFGUNNQH-UHFFFAOYSA-N 339.443 1.090 0 40 EDAB C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)NC2CCCC2)C1=O 58289365 ZLPPRNGONCMPLQ-QGZVFWFLSA-N 333.363 1.652 0 40 EDAB Cn1nccc1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 77839765 LEPFCNOYNNRPPB-INIZCTEOSA-N 327.432 1.884 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCCO3)C1 44911603 SHGDLMDMOYQNHT-CQSZACIVSA-N 342.399 1.996 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)CSCC(=O)c1ccccc1 58316298 AJWBCAJUBFPOQF-CYBMUJFWSA-N 334.441 1.730 0 40 EDAB Cn1ccnc1[C@H](NC(=O)NC[C@@H]1CCOC1)c1ccccc1F 48256038 ZFAZHMBQHLMTFY-SWLSCSKDSA-N 332.379 1.984 0 40 EDAB COc1ncccc1C(=O)N1CCN(Cc2c(C)noc2C)CC1 48230359 SZWAKJSOZLBTPC-UHFFFAOYSA-N 330.388 1.653 0 40 EDAB CC(C)N1CCO[C@@]2(CN(C(=O)N(C)C)C[C@H]2c2cccnc2)C1=O 306130532 JIYVGBVWLBWNQF-MAUKXSAKSA-N 346.431 1.168 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(F)cc1 3430032 MJLWFWWEYJPAOB-BMLIUANNSA-N 333.363 1.723 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]12 409282151 NYAJYGWWSZCZRN-XJIUQZFPSA-N 331.299 1.202 0 40 EDAB CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCCO[C@H](C)C2)ncn1 173416959 OYHZPHAMGYFJTN-ZIAGYGMSSA-N 348.451 1.308 0 40 EDAB COc1cc(C)c(S(=O)(=O)NCCNC(C)(C)C)cc1OC 71921610 ZJSBCNMHYGUNRA-UHFFFAOYSA-N 330.450 1.679 0 40 EDAB COCCN1C(=O)C[C@H](Nc2ccc(N3CCCCC3)cc2)C1=O 4317796 JPPTVFQHXUGVMG-INIZCTEOSA-N 331.416 1.863 0 40 EDAB Cn1ncc2c(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)ncnc21 65449058 DHRQKGFWQIIPBV-NSHDSACASA-N 332.408 1.857 0 40 EDAB Cc1cccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)c1 65552054 NBZAYKWUEPMQHZ-CQSZACIVSA-N 340.470 1.679 0 40 EDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 65593170 LYUVAUXQQQEXJG-GFCCVEGCSA-N 348.790 1.759 0 40 EDAB Cn1ccnc1CCNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C 65542143 BTNIFGMPKOVYCX-LLVKDONJSA-N 340.449 1.389 0 40 EDAB CC(=O)c1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc(=O)[nH]c1C 14116972 URORWRUAGVNSBS-MNOVXSKESA-N 339.417 1.057 0 40 EDAB Cn1cccc1C(=O)NC(=O)CSc1nnc(C2CC2)n1C1CC1 5400795 SNJGYJDLIRUOMI-UHFFFAOYSA-N 345.428 1.878 0 40 EDAB COC[C@H](O)CNC(=O)COc1ccc(Br)cc1F 71266980 OOSDAKGOZMVTOB-SECBINFHSA-N 336.157 1.091 0 40 EDAB Cn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2)c1=O 6679455 KEJJEMKRBZTOEQ-UHFFFAOYSA-N 329.381 1.078 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)CCC(=O)c1ccc(Cl)cc1 5616290 UUQZGXZAXWZREA-SECBINFHSA-N 340.763 1.690 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCc2ccccc21 6879845 IQDAIPLKBKWBIC-UHFFFAOYSA-N 327.384 1.830 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@@]1(O)CCCc2ccccc21 66931294 ZXZZNVBEYCUEHI-DYVFJYSZSA-N 337.441 1.152 0 40 EDAB Cc1cccc(NC(=O)CNC(=O)CSc2ncccn2)c1C 6913579 IMBLXTWGMZCRMZ-UHFFFAOYSA-N 330.413 1.940 0 40 EDAB C[C@H](CO)Nc1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1 67690873 ZVXDMARGLSMERA-CQSZACIVSA-N 343.431 1.623 0 40 EDAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H]2C[C@H](C)OC2=O)cc1 7313686 FXVALHZKUIFILR-AAEUAGOBSA-N 326.370 1.406 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(C)c(F)c2)C1=O 9389107 XBPGCKMWDLXZBJ-GFCCVEGCSA-N 339.392 1.746 0 40 EDAB C[C@]1(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1(Cl)Cl 68783244 OIIOFQAACOSTHF-SECBINFHSA-N 343.257 1.596 0 40 EDAB O=S(=O)(CCNc1ncnc2sccc12)NCC1CCC1 68765944 AEVGMMGZBSYENS-UHFFFAOYSA-N 326.447 1.823 0 40 EDAB CCc1nn(C)cc1NC(=O)CSc1nnnn1C1CCCC1 91157342 KMZIWAGLDLTHMW-UHFFFAOYSA-N 335.437 1.815 0 40 EDAB Cc1cc(N(C(C)C)S(=O)(=O)c2cnn(C)c2)ccc1C(N)=O 69351495 ZGOZQFSHBYWZPM-UHFFFAOYSA-N 336.417 1.431 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2C[C@H](O)CN2CCC(C)CC2)n1 69529289 SBEPHVHEECAHFG-ZWKOTPCHSA-N 335.496 1.452 0 40 EDAB Cc1ccccc1[C@@H](C)CC(=O)NCCN1CCS(=O)(=O)CC1 96407503 BUXGEIDLPBVLHL-HNNXBMFYSA-N 338.473 1.335 0 40 EDAB CCOCCN1CCN(CCCc2nnnn2-c2ccccc2)CC1 69652519 VCWBCCRSCLJVAV-UHFFFAOYSA-N 344.463 1.249 0 40 EDAB NC(=O)c1cccc(OCC(=O)NCC[S@](=O)c2ccccc2)c1 69617677 QJHNXXAOBVQILA-XMMPIXPASA-N 346.408 1.088 0 40 EDAB CCC[C@H]1NC(=O)N(CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1=O 9503849 HGGOHHCUIOXVMH-SNVBAGLBSA-N 335.360 1.321 0 40 EDAB O=C1CO[C@H]2CN(Cc3ccccn3)C[C@H]2N1Cc1ccc(F)cc1 67897187 LVWSCLJTXCSYAY-MSOLQXFVSA-N 341.386 1.833 0 40 EDAB biogenic,in-vitro O=C(CN[C@@H]1CCc2ncnn2C1)N[C@H]1CCCc2ccccc21 69740460 OSROEISDLLEKRQ-ZBFHGGJFSA-N 325.416 1.376 0 40 EDAB CS[C@H](C)C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 69779806 NCEBFUGBTFHETB-OAHLLOKOSA-N 349.500 1.983 0 40 EDAB Cc1nc(-c2c[nH]c(C(=O)N3CCN(CC(C)(C)O)CC3)c2)cs1 69771808 JBZDIYJHBFYJMR-UHFFFAOYSA-N 348.472 1.975 0 40 EDAB CCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2OC)CC1 69703184 CZYMNOLDEAIJFB-UHFFFAOYSA-N 325.796 1.836 0 40 EDAB C[C@H](O)CN1CCN(C(=O)CCOc2ccccc2Cl)CC1 71871218 QFFQYFGHRLGRBN-ZDUSSCGKSA-N 326.824 1.634 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H](N2CCNC2=O)C1 71841738 SJUFECIHQCGJBH-ZDUSSCGKSA-N 341.415 1.512 0 40 EDAB CCOC(=O)N1CCC(NC(=O)NC[C@H]2CCCCN2CC)CC1 72277869 GHIMQZDTRRVGQX-OAHLLOKOSA-N 340.468 1.781 0 40 EDAB C[C@H](O)C1CCN(c2nccnc2N2CCC([C@@H](C)O)CC2)CC1 97144842 LWDNKGNLZLHNHW-OKILXGFUSA-N 334.464 1.671 0 40 EDAB O=C1NCCN(Cc2nc3ccsc3c(=O)[nH]2)[C@H]1c1cccs1 72799385 GTRZWANKCKTLLU-LBPRGKRZSA-N 346.437 1.719 0 40 EDAB C[C@@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)C(=O)N1CCSCC1 95397478 NQNOQAYEEJDAJT-LLVKDONJSA-N 349.431 1.930 0 40 EDAB O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc2cn[nH]c2c1 95432991 SBYWORORZJYUOS-CQSZACIVSA-N 331.397 1.445 0 40 EDAB CCN(CCO)C(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C 98075295 QFBDKTCSSANUKA-AWEZNQCLSA-N 328.359 1.560 0 40 EDAB COCCCN1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95999695 YRZGFUZEIMYPCO-GOSISDBHSA-N 331.460 1.836 0 40 EDAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccnnc2)c(OC)c1 95989807 NRDWIURJTHAFJJ-CYBMUJFWSA-N 331.328 1.440 0 40 EDAB c1ccc(-n2nnnc2N2CC[C@H](OCCN3CCCCC3)C2)cc1 95974189 BRKQLUHVMJXGBA-KRWDZBQOSA-N 342.447 1.744 0 40 EDAB CCc1c(C(=O)N2CCN(CCO)CC2)cnn1-c1cccc(C)c1 89282489 SMKKXWBVHJVCQF-UHFFFAOYSA-N 342.443 1.493 0 40 EDAB CN1CCN(C[C@@H](O)CN(C)C(=O)c2cccc(F)c2Cl)CC1 89382675 YBUIIJBJBHEGCQ-LBPRGKRZSA-N 343.830 1.159 0 40 EDAB Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CNC(=O)N3)cn2)c1 89623943 IYDUQVDEOIWISL-AWEZNQCLSA-N 340.383 1.788 0 40 EDAB O=C(NCCCn1ccnc1)N[C@@H]1CCN(c2ncccc2Cl)C1 89773216 PGYXEWCAGFCFHR-CYBMUJFWSA-N 348.838 1.900 0 40 EDAB Cn1cc(C[C@H](CNC(=O)Nc2cccc(Cl)c2)C(N)=O)cn1 89755386 KRWVFGQYLHMMLH-LLVKDONJSA-N 335.795 1.539 0 40 EDAB NS(=O)(=O)[C@@H]1CCN(Cc2ccc(Br)c(F)c2)C1 89768328 ZTWNDVSLXDBBAA-SECBINFHSA-N 337.214 1.451 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)C[S@](=O)c2cccc(Cl)c2)C1 89954633 JHBOXOQMTLZNEH-WHEQGISXSA-N 342.848 1.575 0 40 EDAB CN(C)C[C@@H]1CN(C(=O)Cc2ccccc2F)Cc2ccnn2C1 306137657 RCNDDKXDGOHRBU-CQSZACIVSA-N 330.407 1.785 0 40 EDAB O=C(c1cccs1)N1CCN(c2cc(-n3cccn3)ncn2)CC1 23144326 MTNVIUQELGTADZ-UHFFFAOYSA-N 340.412 1.686 0 40 EDAB CCC[C@@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 408611804 RNTNLAJBWXVTPT-GFCCVEGCSA-N 330.425 1.892 0 40 EDAB CNC(=O)c1cn[nH]c1C1(C)CCN(C(=O)c2ccccn2)CC1 72388898 IREHGOPBRAGBBY-UHFFFAOYSA-N 327.388 1.358 0 40 EDAB COc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)CN)C2)cc1 72363183 HBHHMIREYQXWHE-ZDUSSCGKSA-N 342.399 1.942 0 40 EDAB CN(C)c1cc(C[C@@H]2COCCN(CCc3ccccn3)C2)ncn1 72388310 DMTUOJOEDKISBK-INIZCTEOSA-N 341.459 1.671 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC(NC(=O)c2ccncc2)CC1)N(C)C 78611410 ANEGXSQCBHQZOY-INIZCTEOSA-N 332.448 1.389 0 40 EDAB CCN(C1CCN(C(=O)N[C@H]2CC=CCC2)CC1)S(C)(=O)=O 77641646 DZLBVNFWAXONPT-ZDUSSCGKSA-N 329.466 1.551 0 40 EDAB COc1ccc(Cc2noc(CCCN3C(=O)CN(C)C3=O)n2)cc1 78774455 HCTWGTOWSVGIMT-UHFFFAOYSA-N 344.371 1.496 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)NCCN2CCCCCC2=O)cc1 32443889 KDDGATLGUNCILY-UHFFFAOYSA-N 338.429 1.570 0 40 EDAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)cc1 71288887 AHMMIBCHTGFCAE-NWDGAFQWSA-N 340.401 1.232 0 40 EDAB CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38728970 GDCHVMGNQXZJST-LSDHHAIUSA-N 330.384 1.024 0 40 EDAB CCNC(=O)[C@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327658 RRQBFCZFRZMXFV-ORAYPTAESA-N 344.411 1.928 0 40 EDAB O=c1ncc2c(cnn2[C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1 32642346 IYYJGEVQBFYXQQ-ZDUSSCGKSA-N 344.396 1.001 0 40 EDAB COC(=O)C[C@H](C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 79321142 GJWLRQWOXZCLLM-QMMMGPOBSA-N 348.808 1.393 0 40 EDAB CC(=O)NC[C@H]1CN([C@H](C(=O)O)c2cccc(Cl)c2)CCO1 566360422 ZKSXQWXSDGZREV-KBPBESRZSA-N 326.780 1.303 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCc2nc3ccccn3c(=O)c2C1 225777941 BJJHDMTWAYONBB-UHFFFAOYSA-N 349.346 1.622 0 40 EDAB Cc1nnc(CNC(=O)CN(C)C(=O)c2c[nH]c3ccccc23)o1 49027895 BRFGWCBEPFXSLV-UHFFFAOYSA-N 327.344 1.248 0 40 EDAB CN([C@@H]1CCCc2c1cnn2C)S(=O)(=O)CCN1CCCC1 192810072 WZFIKKVTQKGLPP-OAHLLOKOSA-N 326.466 1.155 0 40 EDAB COc1cccc(N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)c1 225191820 XOGWOLGERDUHRY-LBPRGKRZSA-N 328.434 1.622 0 40 EDAB COC(=O)c1nn(C[C@H](O)CN2CCC(C)CC2)c2c1CCCC2 89584249 UWGSATFEQGDFBY-CQSZACIVSA-N 335.448 1.641 0 40 EDAB CC[C@H]1CN(C(=O)c2cncnc2C2CC2)C[C@@H]1N1CCOCC1 333210082 TVPWSWNFQXZFHP-BBRMVZONSA-N 330.432 1.537 0 40 EDAB COc1ncnc(N(C)C)c1NC(=O)NC[C@@H](CO)Cc1ccco1 533579923 DNMYNRGODZCKSA-NSHDSACASA-N 349.391 1.117 0 40 EDAB Cc1ccoc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2CC1CCOCC1 96063860 GJAFLFYPUGFWGV-CABCVRRESA-N 332.400 1.830 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)C2 97198127 VYXNBJABILHRKN-CABCVRRESA-N 338.411 1.676 0 40 EDAB CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(Cc1nccs1)C2 514288595 DBAVUADTHZHUSW-LSDHHAIUSA-N 336.505 1.104 0 40 EDAB biogenic,in-vitro O=C(c1ccnnc1)N1CCN(Cc2ccncc2)c2ncccc2C1 96198975 QXZMGVQLIWVQIJ-UHFFFAOYSA-N 346.394 1.929 0 40 EDAB CCN1CC[C@]2(CN(C(C)=O)CC23CCN(CC2CC2)CC3)C1=O 96036512 HWQGVAFPVWCZGL-IBGZPJMESA-N 333.476 1.579 0 40 EDAB COc1ccc(C(=O)N2CC(n3nc(C)nc3C)C2)c(C)c1OC 577843445 RMJSFRNOSWPWCK-UHFFFAOYSA-N 330.388 1.918 0 40 EDAB O=C1CN(C(=O)c2ccc(CNc3ncccc3F)cc2)CCN1 96460529 BYNKYEOMAMHTKB-UHFFFAOYSA-N 328.347 1.405 0 40 EDAB C[C@@H]1CN(C(=O)c2ccccc2OCc2nnnn2C)C[C@@H](C)O1 96192611 TVPIOFGVVZPLJO-VXGBXAGGSA-N 331.376 1.039 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1cccnc1)C2)c1cscn1 96108494 DYDDCYIPPCKEBI-PBHICJAKSA-N 344.440 1.417 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(c3nnc(C(C)C)o3)C2)on1 96110121 UGNTXTXJSPAICT-BDJLRTHQSA-N 332.360 1.530 0 40 EDAB CC(C)[C@@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)CCS1 96432254 ANXDTSJJMLKMHX-HNNXBMFYSA-N 331.441 1.997 0 40 EDAB COc1ncccc1C(=O)N1CCC(Oc2ccc(C)nn2)CC1 96119396 ICVZDXPAYCDWBQ-UHFFFAOYSA-N 328.372 1.872 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@]3(CCN(C4CCOCC4)C3)C2)o1 96202059 JFYNYOXYMLFVGP-IBGZPJMESA-N 348.443 1.932 0 40 EDAB C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCc2ccc(F)cc21 96474834 SLJLKSGJFQSYML-IINYFYTJSA-N 328.409 1.935 0 40 EDAB O=C(c1ccnnc1)N1Cc2cccn2C[C@H](Oc2cccnc2)C1 247852479 JIUZPUMLIJHGRG-KRWDZBQOSA-N 335.367 1.777 0 40 EDAB COCCNC(=O)[C@@H]1CN(Cc2scnc2C)Cc2ncn(C)c21 248029512 KUAHZYKBZDJLTO-GFCCVEGCSA-N 349.460 1.047 0 40 EDAB C[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)[C@@H]1CCCCN1 583651854 UGUYWYWETADBCY-QAPCUYQASA-N 331.460 1.779 0 40 EDAB Cc1cc([C@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)ccn1 257284132 PBIMJOHYRRFYTD-MRXNPFEDSA-N 331.416 1.693 0 40 EDAB CC(=O)N1CCCN(Cc2cnc([C@]3(C)CCCCO3)nc2)CC1 257308434 TWRIFCHTISUUMY-SFHVURJKSA-N 332.448 1.947 0 40 EDAB Cc1nccc([C@@H]2CCCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 257266902 MFBSSNAYPNPOMV-CQSZACIVSA-N 338.477 1.388 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2ccn3nccc3n2)c1 257266160 MBVIPCDAYANMCL-ZDUSSCGKSA-N 346.416 1.379 0 40 EDAB COCCN1C(=O)Cc2c(C)nc([C@]3(C)CCCN(C(C)=O)C3)nc21 257235714 GZBMMCXBIPUGHM-GOSISDBHSA-N 346.431 1.221 0 40 EDAB O=C(c1cncnc1)N1CCOC[C@H](Cc2nccn3cccc23)C1 257303730 SILQQTDJYCIWHB-CQSZACIVSA-N 337.383 1.456 0 40 EDAB COc1cc(CCC(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)on1 257338377 YXCFLPFHRNRGAB-CKEIUWERSA-N 337.420 1.062 0 40 EDAB O=C1[C@@H]2CCCN2C(=O)N1C1CCN(CCc2ccncc2)CC1 253420053 CUOCVRUBVKXACZ-INIZCTEOSA-N 328.416 1.515 0 40 EDAB CC1(C(N)=O)CCN(Cc2cn(-c3ccccc3C(=O)O)cn2)CC1 257262199 LKOGNSQCPHHRIY-UHFFFAOYSA-N 342.399 1.658 0 40 EDAB CC(C)C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 585083409 AZOVJMUDYRBHFU-UHFFFAOYSA-N 331.416 1.329 0 40 EDAB O=C(N[C@H]1CC[C@@H](CO)CC1)c1ccccc1S(=O)(=O)C(F)F 585087314 CWTRCWAWOOIQPI-PHIMTYICSA-N 347.383 1.964 0 40 EDAB C[C@@H]1CC(NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C[C@@H](C)C1 585090340 RTKGLSYQFGEMFF-MKBNYLNASA-N 336.407 1.857 0 40 EDAB Cc1ccc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cn1 257287525 PQIWPUPKJDMGSS-INIZCTEOSA-N 339.386 1.698 0 40 EDAB COC(C)(C)CCN1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 585116401 ULZBKUDBZNWOHW-QGZVFWFLSA-N 346.468 1.390 0 40 EDAB Cc1c(C(=O)NCc2nnc3cc(C(F)(F)F)ccn23)cnn1C 585127881 LNYGMSCDDOTCJR-UHFFFAOYSA-N 338.293 1.720 0 40 EDAB CN1CC[C@@](C)(C(=O)NCc2nccn2CCc2ccccc2)C1=O 585121215 ISCOCTOWRFJSDG-IBGZPJMESA-N 340.427 1.610 0 40 EDAB Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)c2c(C)noc2n1 585130215 KNOPZVKKZCGGNX-BXUZGUMPSA-N 331.420 1.204 0 40 EDAB CN(C)CC(=O)N1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 257303424 SHFBAYLOFOJEJO-ZDUSSCGKSA-N 341.419 1.278 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2Cc2ccc(OCC(=O)O)cc2)n1 257344777 ZYQHLPOGOQQVAS-HNNXBMFYSA-N 331.372 1.755 0 40 EDAB COc1ccc(NC(=O)NCC(F)(F)C(F)F)cc1-n1cnnn1 282681420 QDWRZQBYHQTMPS-UHFFFAOYSA-N 348.260 1.693 0 40 EDAB COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCC1CCCCCC1 1615053635 NINDKDWLQGXNBJ-CQSZACIVSA-N 345.461 1.536 0 40 EDAB O=S(=O)(Cc1ccon1)N1CCN(C[C@@H]2[C@H]3CCC[C@H]32)CC1 1615590157 JQTTUCLRZMQRBZ-FICVDOATSA-N 325.434 1.168 0 40 EDAB Cc1ccc(Cl)c(NC(=O)c2ccc(S(N)(=O)=O)nc2)c1 390833716 LWPNROXAHYAGLV-UHFFFAOYSA-N 325.777 1.943 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CC[C@H](Oc2ncc(F)cn2)C1 390827165 FHJRIUZQFUOSGF-LBPRGKRZSA-N 345.330 1.680 0 40 EDAB CN1c2ccc(NC(=O)c3ccncc3F)cc2N(C)S1(=O)=O 390830717 MVOOBVFCDKSPCJ-UHFFFAOYSA-N 336.348 1.604 0 40 EDAB Cc1cccc(N2N=C(C(=O)N[C@H](C)Cn3cccn3)CCC2=O)c1 42366371 YNVLWFWUVAHGCA-CQSZACIVSA-N 339.399 1.879 0 40 EDAB COc1ncccc1C(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C 585097011 GOEOVGHNJPEEFX-CYBMUJFWSA-N 329.404 1.263 0 40 EDAB CC(=O)N1CCOC[C@@](O)(CC(=O)N(C)CCCc2ccccc2)C1 585281012 RJSOKBFBGFQODD-LJQANCHMSA-N 348.443 1.078 0 40 EDAB COC[C@H]1CN(C(=O)c2cnn(C)c2)CC12CCN(C(C)C)CC2 585103329 OHGVCSWWFKHAEN-MRXNPFEDSA-N 334.464 1.629 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ncoc1C 585288289 UCFQRNSWXSBIMU-YVEFUNNKSA-N 335.404 1.661 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1c1ncnc2c1cnn2-c1ccccc1 42740165 KXWPTEZMTABQTD-OLZOCXBDSA-N 336.399 1.906 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NCc2ccnc(-n3cccn3)c2)C1 48324771 LREWICVLYIXVCA-HNNXBMFYSA-N 342.403 1.077 0 40 EDAB CN(Cc1cccs1)C(=O)CN1CCO[C@@H](Cn2cccn2)C1 69436562 FPLHEQWJWAVUJB-CQSZACIVSA-N 334.445 1.304 0 40 EDAB Cc1[nH]c2ccccc2c1CC(=O)N(C1CC1)[C@H]1CC(=O)NC1=O 85944054 LVZQIFYXGWZUIJ-HNNXBMFYSA-N 325.368 1.425 0 40 EDAB CCN(C(=O)c1cc(Br)ccc1C)[C@H]1CC(=O)NC1=O 102727595 GHFAOLFZJQTYBP-NSHDSACASA-N 339.189 1.635 0 40 EDAB CN1CCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1 5438403 XFHZYUOHYGFODV-UHFFFAOYSA-N 337.445 1.004 0 40 EDAB CCNC(=O)NC(=O)CSc1nccn1-c1ccc(OC)cc1 5262940 FSLQSRVSUHJPQM-UHFFFAOYSA-N 334.401 1.819 0 40 EDAB O=C([C@@H]1CCCN(c2ncnc3sccc23)C1)N1CCOCC1 12813912 BQMXHJZKBNXOCZ-GFCCVEGCSA-N 332.429 1.767 0 40 EDAB COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1OC 15734220 NTDWPUJJOIYADB-UHFFFAOYSA-N 344.323 1.970 0 40 EDAB CC(C)C(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1 19085768 MGJRBEPZFIQCLH-UHFFFAOYSA-N 327.432 1.782 0 40 EDAB C[C@H]1Cc2cc([C@@H](O)CN3CCOCC3)ccc2N1C(=O)C1CC1 19497837 JYLDVVWUAVSJSG-UGSOOPFHSA-N 330.428 1.740 0 40 EDAB O=C(CC1CCNCC1)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 643585165 NXPBHYSCIKEDGD-SZVBFZGTSA-N 332.444 1.711 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](Oc3ncccn3)C2)CC1 575607034 WWBNCOLHRFQXED-OAHLLOKOSA-N 332.404 1.105 0 40 EDAB C[C@]1(C(=O)NCc2cccnc2-n2cncn2)CC1(Cl)Cl 36397487 IGRCPQVCVADJPJ-GFCCVEGCSA-N 326.187 1.862 0 40 EDAB O=C([C@H]1CN(c2ccnc(C3CC3)n2)CCO1)N1CCSCC1 1888834210 ACOPPCRHFYEFOT-CYBMUJFWSA-N 334.445 1.135 0 40 EDAB Cc1cncnc1N1CCN(C(=O)c2cc3c(nn2)CCCC3)CC1 1888859860 AHCDSFJHDYGIDO-UHFFFAOYSA-N 338.415 1.416 0 40 EDAB COc1cnc(OC2CCN(Cc3ccn(C)c(=O)c3)CC2)nc1 1889096038 MAABGNALFULBIW-UHFFFAOYSA-N 330.388 1.227 0 40 EDAB O=C([C@@H]1CN(Cc2cc(F)cc(F)c2)CCO1)N1CCOCC1 1889119633 LORSCVHIACCTHK-HNNXBMFYSA-N 326.343 1.024 0 40 EDAB CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 15357427 GGTJBIHOBXHWLC-UHFFFAOYSA-N 349.250 1.642 0 40 EDAB CNc1ncc(CN2C[C@@H](CN3CCOCC3)c3ccccc32)cn1 36740672 ZOCKZUFYOHBEPO-MRXNPFEDSA-N 339.443 1.954 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H]2[C@@H](C)C[C@H]3NC(=O)C[C@H]32)cc1 1775964373 LFXMPGJURPCWQO-BSLXNSKLSA-N 338.429 1.134 0 40 EDAB biogenic,in-vitro COc1nccnc1N(C)CC1CCN(C(=O)c2ccccn2)CC1 1776008962 TWIQHSMJMVWUFA-UHFFFAOYSA-N 341.415 1.869 0 40 EDAB Fc1cnc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)nc1 1776008444 FPYROAKSKCQKRA-UHFFFAOYSA-N 337.362 1.794 0 40 EDAB CCCn1nc(C(=O)NC[C@H](C)N(C)c2ccccc2)ccc1=O 40534616 LXWJPRXGYZHLRX-AWEZNQCLSA-N 328.416 1.908 0 40 EDAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)CN2CCOCC2)C1 2037909073 RUSUEZMNKGXIIC-IBGZPJMESA-N 348.443 1.405 0 40 EDAB COCC(=O)N1CC[C@H](N2CCCC2)C[C@]1(CC1CC1)C(=O)OC 2056223242 TWDGDDUIEWTOEG-MAUKXSAKSA-N 338.448 1.432 0 40 EDAB Cc1nc2ccccn2c1C(=O)N1CC[C@H]2CN(C)CCO[C@@H]2C1 1565551796 KLBJTBWQOBWGOO-LSDHHAIUSA-N 328.416 1.435 0 40 EDAB Cc1noc([C@H]2CCC3(CCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)CC3)O2)n1 1565542926 ITOAYVDNBDVXFG-RQJABVFESA-N 333.388 1.483 0 40 EDAB Cc1cc(O)nc(-n2ncc(C(=O)Nc3nnc(C)s3)c2C)n1 35598410 SFTFCYPSIQBSLJ-UHFFFAOYSA-N 331.361 1.397 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCSC1=O)n1nc(-c2ccccc2)ccc1=O 44395715 GAJUACOCXOTSLC-BXUZGUMPSA-N 343.408 1.620 0 40 EDAB O=c1ccc(-c2cccnc2)nn1CC1CN([C@H]2CCC[C@@H]2O)C1 585606373 WPIPXVDMCIVMSV-IRXDYDNUSA-N 326.400 1.151 0 40 EDAB CSCC[C@@](C)(O)CNS(=O)(=O)c1ccc(F)c(F)c1 75157557 NGRNLGVNXZLXJR-GFCCVEGCSA-N 325.402 1.747 0 40 EDAB O=C(Nc1ccc(Cn2ccccc2=O)cc1)N[C@@H]1CCC[C@H]1O 96415819 GLQDUKJFRNZYIW-HZPDHXFCSA-N 327.384 1.932 0 40 EDAB CCc1nn2c(=O)cc(CN3CCN(C(=O)C(C)C)CC3)nc2s1 40466252 QKMYOQMFWCTCTR-UHFFFAOYSA-N 349.460 1.014 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1=O 40480997 PATDKFKJRLUXAD-SNVBAGLBSA-N 333.310 1.304 0 40 EDAB CCN(Cc1ccccc1)C(=O)[C@@H](C)S(=O)(=O)c1nncn1C 40539992 LVNAFFVAINNCAC-GFCCVEGCSA-N 336.417 1.026 0 40 EDAB CC(C)N1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cn2)CC1=O 40511975 HDWDVMTUYQOWGI-ZDUSSCGKSA-N 332.404 1.114 0 40 EDAB COC(=O)[C@@H]1Cc2nc[nH]c2CN1C(=O)c1cn2cccc(C)c2n1 20542763 PHBXKCYQCDTPBD-AWEZNQCLSA-N 339.355 1.106 0 40 EDAB CC1(C)Cc2nc3sc4c(OCC(N)=O)ncnc4c3cc2CO1 215816 FEVXYJZREBSSJT-UHFFFAOYSA-N 344.396 1.955 0 40 EDAB CN1CCN(C(=O)C2CCN(C(=O)NC3CCCCC3)CC2)CC1 70004842 COCFUQBESDESOT-UHFFFAOYSA-N 336.480 1.515 0 40 EDAB CCC(=O)Nc1nnc(CCc2nnc(NC(=O)CC)s2)s1 16956597 HLTYUJUBFHSZMP-UHFFFAOYSA-N 340.434 1.872 0 40 EDAB COc1cccc(OCCNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 32797084 PTBVGFANLASYCI-KRWDZBQOSA-N 341.363 1.972 0 40 EDAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCCO 32721881 IRJQPSIKNHSCKS-LZUXJJCOSA-N 336.476 1.842 0 40 EDAB O=C(O)c1cc(C(=O)O)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 3681376 JOQBGFKVMFUNCX-GRUGVGOFSA-N 327.292 1.395 0 40 EDAB C[C@H]1CCCN([C@H](C)CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 60554774 QNZXUKSMOZABQF-UONOGXRCSA-N 338.473 1.940 0 40 EDAB O=C(CN1CSCC1=O)NCc1ccc(CN2CCCCC2)cc1 21637753 SGDZKQCOLNNQCZ-UHFFFAOYSA-N 347.484 1.822 0 40 EDAB O=C(CCN1CCN(c2cnccn2)CC1)Nc1ccc(F)c(F)c1 37176433 VYGQNAWVQKJBMR-UHFFFAOYSA-N 347.369 1.906 0 40 EDAB COc1cc(N2CCCC2)c(OC)cc1/C=C1/NC(=O)N(C)C1=O 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348.371 1.898 0 40 EDAB O=c1[nH]nc(SCc2cc(=O)n3cc(Cl)ccc3n2)n1C1CC1 24715192 VSNWBUKADLYPCV-UHFFFAOYSA-N 349.803 1.860 0 40 EDAB C[C@H](C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)n1cncn1 55409992 VUBDQUZHHRSELR-CYBMUJFWSA-N 348.451 1.462 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)c1cccc(N2CCCS2(=O)=O)c1 25049777 JDLKFXYVGLVMHP-UHFFFAOYSA-N 348.428 1.232 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)o1 47910644 JMTAHCIHLTYLIK-UHFFFAOYSA-N 346.267 1.501 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc[nH]n3)CC2)c1 47994933 SNROMYUYYYLYRA-UHFFFAOYSA-N 348.428 1.173 0 40 EDAB CN1C[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1=O 106871653 KBBUBLAFEFGKMO-IOASZLSFSA-N 349.818 1.206 0 40 EDAB Cc1nc(C(=O)N2CCC(NC(=O)C(C)C)CC2)c2n1CCCC2 76094772 PYSAOKUOJCNUIR-UHFFFAOYSA-N 332.448 1.905 0 40 EDAB COc1cc(SC)ccc1C(=O)OCC(=O)NC[C@H]1CCCO1 3276229 JRJUYDHNUJNGHY-LLVKDONJSA-N 339.413 1.869 0 40 EDAB CCn1cc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cn1 43644974 DFXJDBPFGZVISN-KRWDZBQOSA-N 343.431 1.444 0 40 EDAB CC[C@@H]1C(=O)NCCN1CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 76417640 QTGDOTULNXSAIZ-XHDPSFHLSA-N 339.386 1.695 0 40 EDAB NC(=O)C1(NC(=O)c2ccc(N3CCNC3=O)cc2)CCCCC1 77641806 LHJOSQCRVUNTMZ-UHFFFAOYSA-N 330.388 1.134 0 40 EDAB COCCCCNC(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1 56868498 BGMHVLWEOVPQAL-GFCCVEGCSA-N 340.449 1.930 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1 26280939 HYPIESCLJYATME-UHFFFAOYSA-N 345.852 1.563 0 40 EDAB COc1ccc(OC)c(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 103061735 SIDGIBQMEFLQAK-CHWSQXEVSA-N 344.367 1.594 0 40 EDAB Cc1ccnn1-c1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 44720260 WTDICEIJYNYNFB-ZDUSSCGKSA-N 333.413 1.345 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C3CC3)n[nH]2)cc1 58158111 LJQAYHBGPXGCSG-UHFFFAOYSA-N 334.401 1.790 0 40 EDAB CNC(=O)NC(=O)CN1CCC(c2c[nH]c3ccc(OC)cc23)CC1 58172110 YLLVRDRUERMZFN-UHFFFAOYSA-N 344.415 1.812 0 40 EDAB O=C1NCCN(S(=O)(=O)c2ccccc2F)[C@@H]1c1ccccc1 58195143 FGZCHLMDZFPGLR-OAHLLOKOSA-N 334.372 1.688 0 40 EDAB COc1ccc(C)cc1C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 58293042 GEGUXIDLHBXZAO-UHFFFAOYSA-N 344.367 1.920 0 40 EDAB O=C(NCc1ncc(-c2ccccc2)o1)N[C@@H]1CCS(=O)(=O)C1 44946219 ALQKBXBLBPZUGM-GFCCVEGCSA-N 335.385 1.328 0 40 EDAB Cc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c2ccc(F)cc2n1 44911945 PTWOTCPNZMPREJ-NSHDSACASA-N 336.388 1.847 0 40 EDAB CC(C)c1noc(CCCC(=O)NC[C@H]2CCS(=O)(=O)C2)n1 44939663 OYKXBAPEPHRPOY-LLVKDONJSA-N 329.422 1.067 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)N1CCN(Cc2ccco2)CC1 44971244 WDTLWCONIHRKIR-MRXNPFEDSA-N 343.431 1.918 0 40 EDAB CC(C)[C@@H](C(=O)Nc1cnn(Cc2ccncc2)c1)N1CCCC1=O 58391982 FZXMXOWSXIPDRC-KRWDZBQOSA-N 341.415 1.912 0 40 EDAB CCc1noc(CN2CCN(C(=O)Cc3cccc(OC)c3)CC2)n1 58328787 TZCDMNUPJAYMQU-UHFFFAOYSA-N 344.415 1.528 0 40 EDAB CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(O)cc2)CC1 3314104 FUSCQQQSVDBFPQ-UHFFFAOYSA-N 335.356 1.351 0 40 EDAB COc1ccc(OC)c([C@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 48234341 LHCBFTXATPYYRB-WDEREUQCSA-N 342.417 1.251 0 40 EDAB O=C(c1cnc2ccccn2c1=O)N1CCN(c2nccs2)CC1 48229827 VQJXALVAMBBTCD-UHFFFAOYSA-N 341.396 1.113 0 40 EDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCCO)nn12)CCCC3 2342281 SNSJJMLECHKQKL-UHFFFAOYSA-N 345.428 1.638 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2nnc3ccccn23)C1 36408827 JFBNLNDGUHYIKR-KGLIPLIRSA-N 349.460 1.843 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)Cn1cnc2c(C)cccc2c1=O 12873588 QMDDIRYSUPZDPR-UHFFFAOYSA-N 325.372 1.694 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@H]3CCCN3C2=O)c1C 8329112 YIUPEOJYJDPDLG-SNVBAGLBSA-N 333.344 1.027 0 40 EDAB Cc1cccc(C(=O)N[C@H](C(=O)NCC(=O)NC(C)C)C(C)C)c1 22765083 HBACYQMALXHQHO-INIZCTEOSA-N 333.432 1.390 0 40 EDAB c1ncc2c(n1)CN(Cc1nc(-c3ccc4c(c3)OCO4)no1)CC2 69484889 GTUHGFQFEZLHKV-UHFFFAOYSA-N 337.339 1.814 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)C2)c1 69415692 ITFLIXNYELVLTJ-CVEARBPZSA-N 330.432 1.614 0 40 EDAB C[C@H]1CN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)[C@H](C)CO1 69484380 LEJNLVDPLSGCDL-OLZOCXBDSA-N 339.399 1.718 0 40 EDAB O=C1CCc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)ccc2N1 13197104 LEPGFABNIFWNLY-CYBMUJFWSA-N 338.385 1.199 0 40 EDAB CC(C)[C@H](C(=O)N[C@H](C)c1nnc2ccccn12)N1CCCC1=O 69582214 OZPOBSXSFWROTH-IUODEOHRSA-N 329.404 1.554 0 40 EDAB C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(Br)cn2)C(=O)O1 69569535 RLXLSYCJCXUYQK-PSASIEDQSA-N 342.193 1.418 0 40 EDAB COc1ccc(-c2nnc(CN[C@@H]3CCc4ncnn4C3)o2)cc1 69661410 OOQSRKITEMDLBJ-GFCCVEGCSA-N 326.360 1.441 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCCC(=O)N(C)Cc1ccccc1 69669322 YKYURWVNEQBKCX-UHFFFAOYSA-N 342.443 1.744 0 40 EDAB COc1ccc(OC)c(CCC(=O)NCc2c(C)c(C)n[nH]c2=O)c1 69618766 GSFDMYFAUVEXLC-UHFFFAOYSA-N 345.399 1.653 0 40 EDAB O=C(CCC(=O)NCc1ccco1)NCc1ccc2c(c1)OCO2 13943336 LKODUBXOXIBXLU-UHFFFAOYSA-N 330.340 1.721 0 40 EDAB O=C(O)c1cccnc1S[C@@H]1CC(=O)N(c2ccc(O)cc2)C1=O 17877409 YRCMLBJLMROVGF-GFCCVEGCSA-N 344.348 1.910 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2cccc3cccnc23)C1 65452972 JDJCCGRUCPKKQW-HNNXBMFYSA-N 347.440 1.318 0 40 EDAB NC(=O)CCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 65493277 HGBFWXIWJGKIDM-UHFFFAOYSA-N 347.396 1.093 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 65434863 BXYGUIYHXDQJNP-CYBMUJFWSA-N 340.445 1.167 0 40 EDAB O=C(Nn1cnc2ccccc2c1=O)C1CCN(C(=O)C2CC2)CC1 17848353 WBFKLQGYCIWFST-UHFFFAOYSA-N 340.383 1.115 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 14093093 JETWDZMMCGMUFZ-KRWDZBQOSA-N 344.371 1.304 0 40 EDAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)N[C@@H]1CCS(=O)(=O)C1 65516583 NZHUQNMVWGJLNT-MRVPVSSYSA-N 334.300 1.317 0 40 EDAB COCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1C 5325387 PNFBHMVYSKKRMZ-UHFFFAOYSA-N 328.372 1.261 0 40 EDAB c1cnc(N2CCN(Cc3nc(-c4ccsc4)no3)CC2)nc1 14120801 XKSWCLLWBKLKDJ-UHFFFAOYSA-N 328.401 1.910 0 40 EDAB Cc1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)c(C)n1C1CC1 14142095 KQYFRIYISIZPCW-UHFFFAOYSA-N 332.448 1.286 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccco1)Cc1ccc(F)cc1 4511426 QIWKWJSZOSKHBV-UHFFFAOYSA-N 340.376 1.497 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(C(C)C)c2)C1=O 66083467 GPTYZQXKUFDCGP-QGZVFWFLSA-N 333.388 1.705 0 40 EDAB C[C@@H](C(=O)NC(N)=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 67401379 GPMQFQRDNVDDIK-HZMBPMFUSA-N 339.823 1.669 0 40 EDAB Cc1cc(N(C)C)nc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1 72276301 IYMHVCBHQKSNDR-CQSZACIVSA-N 327.436 1.746 0 40 EDAB COc1ccccc1OC[C@H](O)CN1CCN(c2ncccn2)CC1 71283861 SOKWVAGQQDPNOO-OAHLLOKOSA-N 344.415 1.047 0 40 EDAB Cc1csc(-c2cn(C)c(=O)n(CC(=O)c3ccccc3)c2=O)n1 69138157 MJGUYDUDHRRUNE-UHFFFAOYSA-N 341.392 1.862 0 40 EDAB COC(=O)C[C@H](NC(=O)CSc1ccccc1Cl)C(=O)OC 72245341 JCSRROFBSZIXOM-JTQLQIEISA-N 345.804 1.653 0 40 EDAB CC[C@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)CS(=O)(=O)N(C)C 96010534 HNJFSHSYSGLRKV-HOTGVXAUSA-N 338.473 1.981 0 40 EDAB CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(Cc2nnc(C3CC3)o2)C1 84259283 WPYJEIAOWDXQRO-AWEZNQCLSA-N 345.403 1.866 0 40 EDAB CNC(=O)NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 9322183 URVBYWRGUKJWBE-UHFFFAOYSA-N 330.413 1.937 0 40 EDAB CCOc1ccccc1NC(=O)Cn1nnn(-c2cccs2)c1=O 9499830 DEFKIVBSLDLJJE-UHFFFAOYSA-N 345.384 1.528 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1occc1CN1CCOCC1)C2 97198738 KNSSDWIFRJJBFT-OAHLLOKOSA-N 344.415 1.362 0 40 EDAB O=C(Cc1csc(N2CCCC2=O)n1)N1CCN2CCCC[C@H]2C1 71839965 XPGCVCHCUQMQNR-AWEZNQCLSA-N 348.472 1.509 0 40 EDAB CCO[C@H]1CCCN(C(=O)Cn2nc(O)c3ccccc3c2=O)C1 71825546 UWMDDSYMVOENJM-LBPRGKRZSA-N 331.372 1.130 0 40 EDAB CCCCN(CC(N)=O)S(=O)(=O)c1cnn(-c2ccccc2)c1 71832840 DHLRYBOUHMELJH-UHFFFAOYSA-N 336.417 1.148 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(=O)n2ccccc2n1 71885745 WAIVBTJESOKJRU-INIZCTEOSA-N 334.379 1.107 0 40 EDAB Cn1cc([C@H]2CCCN2C[C@H](O)CN2CCc3ccccc3C2)cn1 71876865 PQPPEEOSDITJBL-WOJBJXKFSA-N 340.471 1.976 0 40 EDAB O=C(Cn1cccn1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 71850260 GAWOLESEULBBPO-MRXNPFEDSA-N 326.400 1.233 0 40 EDAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC[C@H]1CCCOC1 71821415 TZUOCNTWXLYKDB-CYBMUJFWSA-N 342.399 1.226 0 40 EDAB O=C(O)[C@]1(O)[C@@H](c2ccccc2)[C@@H](c2ccccc2)Nc2ncnn21 72332390 KYYRQCBFOZVMLT-HDMKZQKVSA-N 336.351 1.958 0 40 EDAB COc1ccc(F)cc1CN1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 72300783 SKQMGGFZAHYOJX-SJKOYZFVSA-N 335.379 1.644 0 40 EDAB NC(=O)NC1CCN(C(=O)Cc2ccc(OC(F)F)cc2)CC1 72306322 HKMNBWHSHJSGSP-UHFFFAOYSA-N 327.331 1.490 0 40 EDAB CNC(=O)c1c(C)cccc1NC(=O)[C@H](C)S(=O)(=O)C(C)C 71903566 SMCPKRXCLCNSSN-NSHDSACASA-N 326.418 1.505 0 40 EDAB CCN1CCN(C[C@@H](C)CNC(=O)c2cccc3[nH]ncc23)CC1 71904007 BQBVJCVCSZCUGX-AWEZNQCLSA-N 329.448 1.566 0 40 EDAB CN(Cc1nc(-c2ccccn2)no1)[C@@H](C(N)=O)c1cccc(F)c1 71908264 COGLUIQASWJZDN-OAHLLOKOSA-N 341.346 1.929 0 40 EDAB CN1CCN(C[C@@H](CC(=O)Nc2ccc(Cl)nc2)C(=O)O)CC1 72405468 LWMSNXDYGQJUAC-LLVKDONJSA-N 340.811 1.012 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 78789328 WREZBAPMKIMHCH-RYUDHWBXSA-N 326.828 1.053 0 40 EDAB COCCCN(Cc1cccc(Cl)n1)[C@@H]1CCS(=O)(=O)C1 72629369 WCZUQSDBPVOIHG-CYBMUJFWSA-N 332.853 1.761 0 40 EDAB CC(C)CC(=O)NCCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C 78874972 NVHXENBLVDABHM-KBPBESRZSA-N 325.453 1.445 0 40 EDAB COC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 95369504 XJLIZJFVYZBMOS-NHYWBVRUSA-N 347.440 1.834 0 40 EDAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 84640688 QVKKRMVSHWGMAN-WCQYABFASA-N 326.418 1.152 0 40 EDAB O=C(NCCc1nc[nH]n1)c1cnn2c(-c3cccs3)ccnc12 95412997 IVOGUFZAACBYCK-UHFFFAOYSA-N 339.384 1.548 0 40 EDAB O=C(NCCc1csc(-c2ccccc2)n1)N[C@@H]1CCCNC1=O 84899621 ZUMYDQWLTBHAQS-CQSZACIVSA-N 344.440 1.930 0 40 EDAB NC(=O)NC(=O)[C@H](c1ccccc1)N1CCO[C@H](c2ccccc2)C1 74159356 IKKIVJMROFAIFB-IRXDYDNUSA-N 339.395 1.996 0 40 EDAB CN(C(=O)CN1CCSc2ccccc21)[C@H]1CCS(=O)(=O)C1 23707228 FIINCFNCKLWLOI-LBPRGKRZSA-N 340.470 1.244 0 40 EDAB CCN(Cc1ccccc1)c1ccc(C(=O)NOCC(N)=O)cc1 89462705 WDYMFXDDQYHDSR-UHFFFAOYSA-N 327.384 1.860 0 40 EDAB COc1c(C(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)c(C)nn1C 75104372 LEAWTLMAFHRSBY-JTQLQIEISA-N 334.342 1.446 0 40 EDAB Cn1[nH]c([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)nc1=N 550116713 SEQXVPVQNSRVNI-OAHLLOKOSA-N 325.416 1.623 0 40 EDAB COCc1nc(C)cc(N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)n1 1548520962 LOZOJMBLTHPWRO-CYBMUJFWSA-N 344.419 1.816 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](F)[C@@]2(CCN(Cc3cnn(C)c3)C2)C1 306131401 KDQVFPYEISSWBF-NOVWEMISSA-N 334.439 1.839 0 40 EDAB COCC(=O)N1CCCC[C@H]1c1ccnc(Nc2cncnc2)n1 72377814 OKJCVELPWBXQMY-AWEZNQCLSA-N 328.376 1.710 0 40 EDAB COc1cccc(N2CCN([C@@H](C)C(=O)NCC(F)(F)F)CC2)c1 72553581 AHVNXDYLOACHEE-LBPRGKRZSA-N 345.365 1.884 0 40 EDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)CN 218204618 LMFHWQNFCAIFMR-WOPDTQHZSA-N 333.251 1.006 0 40 EDAB Cc1noc(C)c1CCNC(=O)c1ccnc(N2CCN(C)CC2)c1 79001654 KXMXKHWILKIRCY-UHFFFAOYSA-N 343.431 1.411 0 40 EDAB CCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOCC 217506583 UTNKUEWFUWWUHO-UHFFFAOYSA-N 344.433 1.912 0 40 EDAB C[C@H]1CN(c2nccc(CN3CCN4CCC[C@@H]4C3)n2)C[C@H](C)O1 72348153 VXDSJMYLSONGSN-YQQAZPJKSA-N 331.464 1.370 0 40 EDAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)N(CC)CC)nc3c12 72335280 NVOLCZNVPIRGFT-UHFFFAOYSA-N 347.444 1.845 0 40 EDAB CCN(CCS(N)(=O)=O)Cc1cc(Br)ccc1F 77272553 HOIRFBULAPDTTO-UHFFFAOYSA-N 339.230 1.699 0 40 EDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(F)cc1F 71980078 RIONVUFVHIBBHH-CYBMUJFWSA-N 340.326 1.312 0 40 EDAB COc1ccc(CN2CCO[C@@H](c3ccc(C(N)=O)cn3)C2)cc1 72388114 WCRREGDJESPBNJ-QGZVFWFLSA-N 327.384 1.763 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 32682847 ZQBBCYKVYRWSQS-LSDHHAIUSA-N 348.447 1.714 0 40 EDAB CS(=O)(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1 77159869 HUFIBEHNHPCUKE-UHFFFAOYSA-N 334.445 1.127 0 40 EDAB CCn1nccc1CN(C)C(=O)[C@@H](C)n1cc2c(n1)c(C)nn2C 40715012 QVYJULTUMWNBGD-GFCCVEGCSA-N 329.408 1.514 0 40 EDAB C[C@H]1CCCN(Cc2ccc(C(=O)N3CCN(C=O)CC3)cc2)C1 44885779 WBJXAGCCNOUWQP-INIZCTEOSA-N 329.444 1.833 0 40 EDAB COc1cc(NC(=O)NC[C@@H](O)c2cccn2C)cc(OC)c1OC 75155190 NWYOMICZGSFTDR-CYBMUJFWSA-N 349.387 1.906 0 40 EDAB CC(C)N1CC2(CN(C(=O)c3ccccc3)C[C@@H]3C[C@@H](O)CN32)C1 514288981 HQOHPKKRHGTOIV-DLBZAZTESA-N 329.444 1.040 0 40 EDAB biogenic,in-vitro O=C([C@@H]1CC(c2cnc(N3CCCCC3)nc2)=NO1)N1CCCCC1 226081149 JYMXFKALMOIWJQ-INIZCTEOSA-N 343.431 1.972 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H](Oc2cccnn2)C1 225454011 CKBCKFWMCGLFDI-BBRMVZONSA-N 341.367 1.686 0 40 EDAB O=C(c1cccs1)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 179068766 UWWNKTUUQNCGJF-UHFFFAOYSA-N 344.440 1.879 0 40 EDAB Cn1cc(CN2C[C@@H]3COC[C@@H](C(=O)NCc4ccco4)[C@@H]3C2)cn1 96038611 ANBTVVGZYVRGBO-DJIMGWMZSA-N 344.415 1.024 0 40 EDAB CCCCNC(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C 96238071 AODFTAFWUZKACK-SFHVURJKSA-N 345.447 1.314 0 40 EDAB CCCS(=O)(=O)N[C@H]1CCN(C(=O)Cc2ccc(F)cc2F)C1 97227534 VNVGANINJVYHTP-ZDUSSCGKSA-N 346.399 1.438 0 40 EDAB CN(C)C[C@@H]1CCN(C(=O)NCc2cnn(-c3ccccc3)c2)C1 97101603 AUWBHJNCTIQYNS-HNNXBMFYSA-N 327.432 1.965 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(C(=O)c3ccco3)Cc3nccn3C2)n1 96188710 YTSBLPBBMNIAPO-CQSZACIVSA-N 340.387 1.657 0 40 EDAB Cc1noc(C[C@H]2CO[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@@H]32)n1 96216411 SAWZAZNQIJEJFK-YNEHKIRRSA-N 332.360 1.313 0 40 EDAB COc1ccc(N2C(=O)C[C@@H](NCc3cccc(N)c3)C2=O)cc1 95952609 QEIGLABKXJJMFR-MRXNPFEDSA-N 325.368 1.699 0 40 EDAB COC[C@H]1CC2(CCN(CC3CCC3)CC2)CN1CC(=O)N(C)C 96217706 JQSDBKSYBFQJMU-QGZVFWFLSA-N 337.508 1.678 0 40 EDAB Cc1c(S(=O)(=O)N2CCN(C)C3(CCCCC3)C2)cnn1C 583652156 ZYOIGUKHCPFOEM-UHFFFAOYSA-N 326.466 1.368 0 40 EDAB Cc1cnc(N2CC[C@@H]3O[C@@H](COCC(=O)N(C)C)CC[C@@H]32)nc1 96064777 KOGNICPAENBKGS-ILXRZTDVSA-N 334.420 1.016 0 40 EDAB Cc1noc(C)c1CN1C[C@@H]2COC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 96038648 LSXNLSHVHOZLEH-FVQBIDKESA-N 335.404 1.150 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3ccncc3)Cc3nccn3C2)n1 96188707 LEWKDKSGKUZUQW-QGZVFWFLSA-N 337.431 1.819 0 40 EDAB CN1CCN(C[C@H]2CN(Cc3nccs3)Cc3nccn3C2)CC1 96067018 WQFTUNCBNYXATQ-HNNXBMFYSA-N 346.504 1.219 0 40 EDAB C[S@](=O)CCCNS(=O)(=O)Cc1ccc(F)c(Cl)c1 95439705 MQDGJAWJUIANLJ-GOSISDBHSA-N 327.830 1.667 0 40 EDAB O=C(c1ccno1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2CC1 96249387 ZWELSOUNLGQTRH-HOTGVXAUSA-N 342.399 1.575 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 96420662 QSRHEVOXAZYCGC-WBVHZDCISA-N 328.416 1.289 0 40 EDAB COc1ncnc2c1CN([C@H](C)c1nc3ccccc3c(=O)[nH]1)CC2 97202201 MSAZUEVDMCJJTK-LLVKDONJSA-N 337.383 1.841 0 40 EDAB COc1ccccc1N1CC[C@@H](NC(=O)NCc2nccn2C)C1 96461972 VBEYGTRNHXYFTH-CYBMUJFWSA-N 329.404 1.507 0 40 EDAB O=C(C[C@@H]1CCOC1)N1CCN(c2nncc3ccccc23)CC1 96443714 KSXOPXRINUCJFV-AWEZNQCLSA-N 326.400 1.705 0 40 EDAB COc1ncccc1CN1CCn2c(C(=O)N3CCCC3)cnc2C1 96198674 GRKQZRVZNPGNNT-UHFFFAOYSA-N 341.415 1.539 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncc(F)cn2)O1 97953577 RAUUNAGJQPKRME-KFWWJZLASA-N 346.362 1.651 0 40 EDAB O=C(c1ccnnc1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CO2 96221597 BQGFTIMPQNBVAL-CQSZACIVSA-N 340.387 1.142 0 40 EDAB C1CC(COC[C@H]2CCOC23CN(C2CCOCC2)C3)CCO1 247820556 CTWHIMSUQZDYHX-MRXNPFEDSA-N 325.449 1.700 0 40 EDAB COCC1(C(=O)O)CCN(S(=O)(=O)Cc2ccccc2C)CC1 584564432 IOHLGBTVKHQPJS-UHFFFAOYSA-N 341.429 1.638 0 40 EDAB O=C(CN1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1)N1CCCCC1 257242550 IDBPVVYONJLYKJ-OWCLPIDISA-N 329.448 1.611 0 40 EDAB COCCOc1ccc(CC(=O)N[C@@H](CO)c2ccccn2)cc1 585087644 BCLSIUKNXIKWSJ-KRWDZBQOSA-N 330.384 1.499 0 40 EDAB CCc1nccn1-c1ccc(C(=O)N2CCC(NC(C)=O)CC2)cn1 257328110 XEFFPSXMFAQPIL-UHFFFAOYSA-N 341.415 1.570 0 40 EDAB COc1ccc(CC(=O)N2C[C@H](C(=O)O)CC[C@H]2C(=O)O)cc1F 585134066 CEVPYOMAMWVEEN-PWSUYJOCSA-N 339.319 1.153 0 40 EDAB CNC(=O)c1cc(O[C@H]2CCCN([C@@H](C)c3noc(C)n3)C2)ccn1 585116383 SSCLTFOWLVSLSU-FZMZJTMJSA-N 345.403 1.737 0 40 EDAB CCc1nccn1CC(=O)N1CCO[C@@H](CCc2ccncn2)C1 257339527 ZCCOMXLLOBQCRT-HNNXBMFYSA-N 329.404 1.096 0 40 EDAB CNC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cnccn2)s1 257270462 MUHZYFDUBXUTSV-NSHDSACASA-N 331.401 1.660 0 40 EDAB CC(C)Nc1nc(NCCO)nc(N2CCC[C@H]3CN(C)CC[C@@H]32)n1 252507531 WNZKVBLEYXKPKR-KBPBESRZSA-N 349.483 1.017 0 40 EDAB Cc1nc(CN2CCOC[C@@H]2c2[nH]ncc2S(C)(=O)=O)cs1 257306748 SVQYNBTVPPVIJC-LLVKDONJSA-N 342.446 1.152 0 40 EDAB CN(Cc1cn(-c2ccccc2C(=O)O)cn1)C(=O)C1CCOCC1 257316443 VFPGSBXELCSLEU-UHFFFAOYSA-N 343.383 1.956 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)CCc1cccnc1 257227476 FPMCLRQZYNGOLT-KRWDZBQOSA-N 340.427 1.973 0 40 EDAB O=C(Cc1ccc(O)cc1)N1CCC[C@@](O)(CN2CCOCC2)CC1 257271902 NAGLHTNMQROZFG-IBGZPJMESA-N 348.443 1.011 0 40 EDAB COc1cc(OC)cc(S(=O)(=O)N2CC[C@@H](C(=O)O)[C@@H](C)C2)c1 276099313 IQWWZWRTBXFTEA-IINYFYTJSA-N 343.401 1.435 0 40 EDAB Cc1cccc(F)c1NC(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 274129981 OXFGYHWLNMZMBU-HWPZZCPQSA-N 334.351 1.634 0 40 EDAB O=S(=O)(c1cnc(N2CCOCC2)c(Cl)c1)N1CCCC1 1615045884 CVBZCNLYGDYFAW-UHFFFAOYSA-N 331.825 1.356 0 40 EDAB COC(=O)[C@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@@H]1c1cncn1C 1615615339 OSTVQSHFQQJUAN-HOTGVXAUSA-N 341.411 1.686 0 40 EDAB CCS(=O)(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1 96099631 BQVJNXYRDXMJDN-UHFFFAOYSA-N 347.458 1.283 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](Oc2ccncn2)C1 575606281 UGIULIDRUAZIDP-CQSZACIVSA-N 329.404 1.819 0 40 EDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1cc2nc(Cl)ccc2s1 585142154 QCUCTWYSJRHJJS-ZETCQYMHSA-N 347.849 1.753 0 40 EDAB O=C([C@@H]1C[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@H]2O1)N1CCCCO1 585109111 WEXIHDFTYZVSMV-MELADBBJSA-N 340.395 1.439 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCO[C@@H]21 585109194 CPNNPEXAWJCCGT-IXDOHACOSA-N 340.379 1.826 0 40 EDAB CCCNC(=O)CCNC(=O)c1cnn(C)c1-n1c(C)ccc1C 56133829 XYWUIODERAWYGG-UHFFFAOYSA-N 331.420 1.474 0 40 EDAB O=C([C@@H]1CSCN1S(=O)(=O)c1ccccc1F)N1CCCC1 69329428 ZKYBYYUXFCMILW-LBPRGKRZSA-N 344.433 1.512 0 40 EDAB Cc1cc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)sc1C=O 75107594 ZVYKUSBJBUCCGY-LLVKDONJSA-N 327.427 1.661 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCN(c3ccccn3)C(=O)C2)cn1 1565522219 KWUFMKGFZYTRJJ-UHFFFAOYSA-N 340.383 1.753 0 40 EDAB CCC(=O)N(C)c1ccccc1C(=O)NCc1cccc(CO)n1 1615056053 CCCBJALOVZFSSZ-UHFFFAOYSA-N 327.384 1.877 0 40 EDAB CC(=O)N1CCN(C2COC2)C[C@@H](Cc2ccc3ncccc3c2)C1 1615156606 WXQGKVIARUOHLZ-KRWDZBQOSA-N 339.439 1.956 0 40 EDAB O=C(c1nccs1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615161311 MUJDAJHQDGGGIH-UONOGXRCSA-N 342.461 1.678 0 40 EDAB COc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc(C)n1 12223624 WDONHJUJTXFQAF-UHFFFAOYSA-N 330.363 1.895 0 40 EDAB CCS(=O)(=O)N(CC(=O)NCC(C)C)c1ccc2c(c1)OCO2 14397035 DGAPRKWZGOWWDV-UHFFFAOYSA-N 342.417 1.344 0 40 EDAB CCN1C(=O)[C@@H]2[C@@H](c3ccccc3C)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526742 SEKYBLVOEUSLDW-UYAYXHRUSA-N 330.384 1.192 0 40 EDAB COCC(=O)N1C[C@H]2CCc3nnc(-c4ccccc4OC)n3[C@H]2C1 19592973 UWPJUOIXFBPEAZ-OCCSQVGLSA-N 342.399 1.546 0 40 EDAB CO[C@@H](C)CS(=O)(=O)Nc1nnn(-c2ccc(F)cc2)c1C 585129571 OAWNEEAXMHWHJV-VIFPVBQESA-N 328.369 1.491 0 40 EDAB O=C(NCC1(N2CCOCC2)CCC1)[C@@H]1COc2ccccc2O1 1888843179 WNJKASRDFLVCSV-INIZCTEOSA-N 332.400 1.198 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)c2ncnc3c2CCCC3)cc1 1888854278 UMAOLJRNDVPFIP-UHFFFAOYSA-N 332.385 1.255 0 40 EDAB Cc1cc2c(N3CCN(c4nc(C)nc5c4CCC5)CC3)nccn2n1 1888897184 HVTIDLCEEJEIDD-UHFFFAOYSA-N 349.442 1.951 0 40 EDAB Cc1cc(N2CCCC2)nc(N2CCN(c3nnc(C)s3)CC2)n1 1888897888 BGCUFESKQMFFOV-UHFFFAOYSA-N 345.476 1.872 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCCc2ccc3c(c2)OCO3)C1 27960111 LJUXMLZMMFODFU-LBPRGKRZSA-N 326.418 1.524 0 40 EDAB O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1ccc2nsnc2c1 238890112 QNACYFQFRODZDS-SNVBAGLBSA-N 327.369 1.062 0 40 EDAB Cc1cc(C(=O)N=c2sc3cc4c(cc3n2C)OCO4)n(C)n1 252427598 QIVWQCYXXGYCBB-UHFFFAOYSA-N 330.369 1.752 0 40 EDAB O=c1ccc(N2CCN(c3cnccn3)CC2)nn1Cc1ccccc1 2086992577 RJBSLADDMSJRBI-UHFFFAOYSA-N 348.410 1.408 0 40 EDAB CCNC(=O)c1cc2c(CNC(=O)C3(F)CCC3)nn(C)c2s1 1565554023 PAIRVYLWWJSYKF-UHFFFAOYSA-N 338.408 1.893 0 40 EDAB CC(C)N1CCO[C@@H]2CN(C(=O)c3ncc(Cl)cn3)CC[C@H]2C1 1565546161 WICZVZYAJVEPEB-GXTWGEPZSA-N 338.839 1.701 0 40 EDAB O=C([C@H]1[C@H]2COC[C@H]21)N1CCC2(CCN(Cc3nccs3)C2)CC1 1565549766 BZKPFYMXXGDOKK-MIFYACCESA-N 347.484 1.850 0 40 EDAB CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1Cl 104304 QPSMFMXYGWSOSO-UHFFFAOYSA-N 334.723 1.730 0 40 EDAB CCC(=O)Nc1nnc(SCC(=O)NC[C@@H]2CCCO2)s1 4328438 FSIRJEDWYKBJIZ-QMMMGPOBSA-N 330.435 1.274 0 40 EDAB O=C(NCCCN1CCCC1=O)C(=O)NCc1ccccc1Cl 10327569 JHDQEHTYAWEKTK-UHFFFAOYSA-N 337.807 1.085 0 40 EDAB O=C(NCCCn1ncccc1=O)Nc1ccc2c(c1)OCCO2 23241685 YUWBTCKBKFQBCY-UHFFFAOYSA-N 330.344 1.226 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1ccc2ccccc2n1 575617533 UGBYYLVSHZLFEF-UHFFFAOYSA-N 345.362 1.770 0 40 EDAB COc1nc(CNC(=O)c2ccsc2)nc(N2CCCCC2)n1 575607401 MUWUDCOFMPXITI-UHFFFAOYSA-N 333.417 1.862 0 40 EDAB Cc1ccsc1CN(C)C(=O)C1=NN(c2ccccc2)C(=O)CN1 40091004 QMZXWLVKTDAGAT-UHFFFAOYSA-N 342.424 1.965 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(F)cc(Br)c1 40529129 ISZPBQDVUPVWGK-JTQLQIEISA-N 336.182 1.505 0 40 EDAB CC(C)N(CCCNC(=O)c1cc2ccccc2[nH]1)S(C)(=O)=O 40535331 MSLSZBNUXBQVIA-UHFFFAOYSA-N 337.445 1.958 0 40 EDAB COc1ccccc1-c1cc(C(=O)N2CCC(C(N)=O)CC2)no1 40512457 ISNHQWPXRRUIOG-UHFFFAOYSA-N 329.356 1.688 0 40 EDAB CC(C)(CNC(=O)c1ccn(-c2ccccc2)n1)N1CCOCC1 40513806 OZKPZUIZVLRDQY-UHFFFAOYSA-N 328.416 1.713 0 40 EDAB O=C(COCc1nc2ccccc2s1)N[C@@H]1CCCCNC1=O 40521567 UCUYJMYHXLXCRG-GFCCVEGCSA-N 333.413 1.598 0 40 EDAB O=C(CCN1CCN(c2cnccn2)CC1)Nc1cccc(F)c1 37176419 QDFBPRTUSIBMHI-UHFFFAOYSA-N 329.379 1.767 0 40 EDAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(C)n2N)cc1 3486519 SRXBITGXGMODRI-UHFFFAOYSA-N 335.389 1.208 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)Cc2ccccc2F)CC1 69877378 RLDQXAIRNXPWED-UHFFFAOYSA-N 330.407 1.836 0 40 EDAB O=C(Cc1ccc(Cl)cc1)NN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 102602399 RJIZTXJEPYRSSO-OXHZDVMGSA-N 334.759 1.076 0 40 EDAB CCN1CCCC[C@H]1CNC(=O)NC[C@H](O)c1ccc(OC)cc1 75610453 GOXBTUBIRYWXPS-RDJZCZTQSA-N 335.448 1.902 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C)c1c(C)cc(C)cc12 523267 HUJWXYAJGSEVJT-MRXNPFEDSA-N 346.412 1.435 0 40 EDAB CN1C(=O)c2ccc(C(=O)NCCSC(F)(F)F)cc2C1=O 47387595 ULEDRTKQNOYZFG-UHFFFAOYSA-N 332.303 1.895 0 40 EDAB Cc1cnc(N2C[C@H]3O[C@H](C[C@H]3C(=O)NCc3ccco3)C2)nc1 107266405 AIOVPQJVGBUCAZ-RBSFLKMASA-N 328.372 1.288 0 40 EDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@@H]1c1cccc(F)c1 53718019 RNSDWCYWAJAOME-CQSZACIVSA-N 328.409 1.253 0 40 EDAB Cc1cc(NC(=O)Cn2c(NCCO)nc3ccccc32)n(C)n1 84101888 AKUJYPUPZQQLSP-UHFFFAOYSA-N 328.376 1.121 0 40 EDAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 23886433 CULYESAZEWYLMY-ZBFHGGJFSA-N 338.473 1.938 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)c3ccccc3S(C)(=O)=O)cc12 24032918 CSJJQHJQLLQDAL-UHFFFAOYSA-N 344.396 1.933 0 40 EDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1c(C)noc1C 24481678 JWYCLMYXYDDSKC-AGIUHOORSA-N 342.417 1.786 0 40 EDAB O=C(NCCO)/C(=C/c1ccc(O)cc1)NC(=O)c1ccccc1 100568539 OGBFVJUCYCSDCG-VBKFSLOCSA-N 326.352 1.272 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)[C@@H](C)CO1 106516736 HTDYKVKROVPYPK-KBPBESRZSA-N 335.429 1.729 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 25045576 BCXUGRRIKYGGKQ-INIZCTEOSA-N 326.400 1.427 0 40 EDAB O[C@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccc2c(c1)OCCO2 106665595 NTLLCMLVWJTVQV-JKSUJKDBSA-N 345.399 1.089 0 40 EDAB Cc1ncc2c(n1)CN(CC(=O)N1CCO[C@H]3CCCC[C@H]31)CC2 106659808 VDQQQOOHPVGZAC-SJORKVTESA-N 330.432 1.313 0 40 EDAB CC(C)(CNC(=O)c1ccc[n+]([O-])c1)N1CCc2ccccc2C1 25461308 OYLXYRSPFOYTSR-UHFFFAOYSA-N 325.412 1.887 0 40 EDAB Cn1cccc1C(=O)N[C@@H]1CN(Cc2cccs2)[C@@H]2COC[C@H]12 107201381 MTPFUNUEMDTXCB-IIAWOOMASA-N 331.441 1.716 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)nc1 57200553 HNTBTUYDWQCVLI-ZDUSSCGKSA-N 340.383 1.569 0 40 EDAB CCn1cc(NS(=O)(=O)c2ccc3ccccc3c2)c(C(N)=O)n1 28234224 JEEPINUESVPHKK-UHFFFAOYSA-N 344.396 1.956 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cccc(-n3cnnn3)c2)n1 44652984 HTXAPHFKWQHJQC-GFCCVEGCSA-N 339.403 1.542 0 40 EDAB COC(=O)c1ccc2c(cnn2CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 72295921 RPVZTNSHIXFFMS-RYUDHWBXSA-N 331.372 1.459 0 40 EDAB CCOC(=O)C1=C(CN2CCCc3cc(F)ccc32)NC(=O)NC1 48251468 DNRMYMZOHKRRFH-UHFFFAOYSA-N 333.363 1.708 0 40 EDAB O=C1CCc2cc(C(=O)N3CCN(c4cnccn4)CC3)ccc2N1 44895571 XANVSVTZOJOJFT-UHFFFAOYSA-N 337.383 1.324 0 40 EDAB CC(=O)N1CCc2cc(C(=O)NCCCOC[C@H]3CCCO3)ccc21 48262531 LITRQQGMXQZJHV-QGZVFWFLSA-N 346.427 1.911 0 40 EDAB CN1N=C(C(=O)N(CCN2CCCC2)Cc2ccccc2)CCC1=O 72275294 HOYHHUJBVZHUMF-UHFFFAOYSA-N 342.443 1.719 0 40 EDAB O=C(CNC(=O)c1ccccc1)N[C@@H]1CC(=O)N(c2ccccc2)C1 58246041 YDPLLOPJNQZIJS-OAHLLOKOSA-N 337.379 1.338 0 40 EDAB CO[C@H](CNC(=O)Nc1ccc(S(C)(=O)=O)nc1)c1ccccc1 48254050 PCOXVGPSNUKGJI-CQSZACIVSA-N 349.412 1.994 0 40 EDAB Cc1cnc(CN2CC[C@@H](N(C)Cc3nnc(C4CC4)n3C)C2)cn1 84258429 BSZOOCIDVBLKSE-MRXNPFEDSA-N 341.463 1.497 0 40 EDAB O[C@H](CNn1cnnc1)COc1ccc(OCc2ccccc2)cc1 26770409 GATCSACNWYJYHX-MRXNPFEDSA-N 340.383 1.841 0 40 EDAB CCNC(=O)NC(=O)CN(Cc1ccccc1)C[C@H](C)C(=O)OC 58344041 YIKGWOGKFSWMBR-ZDUSSCGKSA-N 335.404 1.143 0 40 EDAB CCOCCO[C@@H](C)C(=O)N(C)C1CCN(Cc2ccncc2)CC1 58378925 VRMACGIFYWQSIH-INIZCTEOSA-N 349.475 1.946 0 40 EDAB COC(=O)Cc1csc(NC(=O)[C@H](CC(C)C)NC(=O)OC)n1 58378920 DFKHJZROTMOXLF-JTQLQIEISA-N 343.405 1.568 0 40 EDAB O=S1(=O)CC[C@H](N(C2CC2)S(=O)(=O)c2cccc(F)c2)C1 58457588 GNJRQERONBUMII-LBPRGKRZSA-N 333.406 1.166 0 40 EDAB O=S(=O)(NC1CCCC1)[C@H]1CCCN(c2nc(C3CC3)no2)C1 97109541 LBQNQPKPBKUZQA-ZDUSSCGKSA-N 340.449 1.778 0 40 EDAB Cc1ccc([C@@H](CNc2cn[nH]c(=O)c2Cl)N2CCOCC2)o1 48312165 LOPVGVFBLKBQOY-GFCCVEGCSA-N 338.795 1.810 0 40 EDAB Cc1cccc(NC(=O)C2CCN(C[C@H](O)C(F)(F)F)CC2)n1 97141590 PMDBZRCKCZEDPJ-LBPRGKRZSA-N 331.338 1.964 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)C=C(C)C)n2CC 8424736 RLUVKJOHSNPAJB-UHFFFAOYSA-N 348.403 1.716 0 40 EDAB Cc1ccc(O)c(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1 13121929 LLBIXASBRUARBY-SNVBAGLBSA-N 335.385 1.008 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)NCc3nccs3)CC2=O)cc1 69620330 CQCGVGLFAILPHB-CYBMUJFWSA-N 345.424 1.817 0 40 EDAB CC(C)CO[C@@H](C)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69972543 UEFWQSBUKXCQCS-FUHWJXTLSA-N 334.460 1.925 0 40 EDAB COC[C@H](C)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 17641107 FFMFWRFWSXOAMA-NSHDSACASA-N 349.456 1.878 0 40 EDAB CCOc1c(Cl)cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 17635188 POHFCCCKDBMEPH-SNVBAGLBSA-N 347.820 1.664 0 40 EDAB NS(=O)(=O)c1cnc(NCCOc2ccc(F)c(F)c2)s1 69708506 IINQSDPVINENNB-UHFFFAOYSA-N 335.357 1.560 0 40 EDAB CCC(CC)NC(=O)C[S@](=O)Cc1cccc(C(=O)N(C)C)c1 64839222 GHPVEVZCMHPKNE-QHCPKHFHSA-N 338.473 1.942 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 8708261 DFBCDXILBCWRRB-KZULUSFZSA-N 345.399 1.377 0 40 EDAB O=C(CN1CCCC1=O)NCc1ccc(CN2CCCCC2)cc1 39995625 KDZFUJXAOYDPEN-UHFFFAOYSA-N 329.444 1.911 0 40 EDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N(CCN(C)C)Cc1cccc(F)c1 97166228 SCMOEVULZMVJKI-BBRMVZONSA-N 344.452 1.697 0 40 EDAB CN(C)CCCNC(=O)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 20029584 IRMKWLXSFXWQLS-UHFFFAOYSA-N 333.432 1.449 0 40 EDAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1 6339406 GDSJSRJKWNBJHQ-IRXDYDNUSA-N 328.412 1.998 0 40 EDAB CCOc1ncnc2c1CN(C[C@H](O)COc1ccc(C)cc1)CC2 65457952 UGYVMEVJGMZBJV-HNNXBMFYSA-N 343.427 1.982 0 40 EDAB COC[C@H](O)CN(C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 65449217 VGNBUSHYSXAHSG-GXTWGEPZSA-N 338.404 1.558 0 40 EDAB CCOC1CCN(C(=O)CCn2ncc(=O)c3ccccc32)CC1 65535263 ISRSBKNRILAHQJ-UHFFFAOYSA-N 329.400 1.814 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)C3CC3)C2=O)cc1 18415474 UNMWKCGRAYACMI-XIKOKIGWSA-N 329.400 1.677 0 40 EDAB O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCC2(CCCO2)CC1 71385557 MGODECCXZVEOLX-UHFFFAOYSA-N 327.384 1.951 0 40 EDAB CC(=O)N1CCN(C(=O)COC(=O)c2oc3ccccc3c2C)CC1 5310612 LRDKZYYXQJKHQW-UHFFFAOYSA-N 344.367 1.589 0 40 EDAB Cc1ccn2ncc(C(=O)Nc3cccc(N4CCNC4=O)c3)c2n1 65614203 ZFLPJJOOXONIDL-UHFFFAOYSA-N 336.355 1.820 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc3c(c2)OCO3)C1 14230806 OTKCJRWQVAFVFU-CQSZACIVSA-N 335.404 1.894 0 40 EDAB Cc1ccc(C)c([C@H](O)CN2CCC[C@H](N(C)S(C)(=O)=O)C2)c1 75768224 HAQYTPOMKDWXQU-DOTOQJQBSA-N 340.489 1.693 0 40 EDAB O=S(=O)(NCCNCc1ccncc1)c1cccc(Cl)c1 65978246 RQQADQJSPFROLD-UHFFFAOYSA-N 325.821 1.803 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCN[C@H](C)c2cccs2)C[C@@H](C)O1 110686654 JAZUWCDMXSJQFU-FRRDWIJNSA-N 332.491 1.838 0 40 EDAB CCOC(=O)C1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)NC(=O)N1 4977357 PKIIZUSHWFUWGE-ZDUSSCGKSA-N 348.355 1.429 0 40 EDAB CC(C)CNC(=O)Cn1c(=O)[nH]c2sc3c(c2c1=O)CCCC3 8914119 FVHIODNYVQXUFF-UHFFFAOYSA-N 335.429 1.402 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)c1C 7086388 AFKDSNJIARNGSO-UHFFFAOYSA-N 346.387 1.980 0 40 EDAB O=c1[nH]nc2c(N3CCC(NCc4ccc(F)cc4)CC3)nccn12 67350099 KXDADUMMWBUASD-UHFFFAOYSA-N 342.378 1.315 0 40 EDAB CCc1nnc(NC(=O)COc2ccc(-n3cnnn3)cc2)s1 27913027 ZYMKZLGHIIBJNT-UHFFFAOYSA-N 331.361 1.094 0 40 EDAB CC[C@H](C)[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)OC 7767532 GMPCPDALRZKDOL-GTNSWQLSSA-N 347.367 1.876 0 40 EDAB COC(=O)C(C)(C)NC(=O)Cc1cc(=O)oc2cc(OC)ccc12 68856818 ADASEIRHSLBTPP-UHFFFAOYSA-N 333.340 1.412 0 40 EDAB COc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)NCC(F)(F)F)cc1 8132161 YYDCYIKIZWXIAK-JTQLQIEISA-N 347.337 1.633 0 40 EDAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC1 22227501 VEAJHTBVMZNIGH-UHFFFAOYSA-N 336.457 1.930 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)n1 76049030 LKTIBPDTJPOAHZ-HNNXBMFYSA-N 327.388 1.076 0 40 EDAB C[C@](O)(CNC(=O)c1ccc2ccccc2n1)CN1CCOCC1 72306612 KUBOVXCLDPHJEG-SFHVURJKSA-N 329.400 1.048 0 40 EDAB CC(C)NC(=O)CNC(=O)CSc1nnc(NC(C)C)s1 9337364 RHOUVPXPPZZCMV-UHFFFAOYSA-N 331.467 1.091 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)c1ccc(Br)cc1N 94043457 CLSSQGMFTBBPGI-SECBINFHSA-N 340.221 1.772 0 40 EDAB CS(=O)(=O)c1cccc(OCCn2nnc(-c3ccccc3)n2)c1 77902055 HUJCFYUTXZBDRU-UHFFFAOYSA-N 344.396 1.823 0 40 EDAB C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](C)N1CCN(C)CC1 71867478 VCCCWFAIJNWWQT-KGLIPLIRSA-N 339.867 1.859 0 40 EDAB Cc1cccn2cc(CNC(=O)c3cccc(S(C)(=O)=O)c3)nc12 71893153 KQMMCLUGEXUEBS-UHFFFAOYSA-N 343.408 1.976 0 40 EDAB CC(C)(C)n1nc(C(=O)N2CCCN(CC(N)=O)CC2)cc1C1CC1 71829277 BWGDLFOFTWAFMM-UHFFFAOYSA-N 347.463 1.149 0 40 EDAB O=C(CN1CCCNC1=O)N[C@@H]1CCCC[C@@H]1Oc1ccccc1 71904549 DJQNAYOBYCJOOF-CVEARBPZSA-N 331.416 1.908 0 40 EDAB O=C([C@H]1CCCN1c1ccnc(-c2ccccc2)n1)N1CCOCC1 71904079 XWVOZGRZXXBTMJ-MRXNPFEDSA-N 338.411 1.971 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)NC[C@H](C)CN2CCOCC2)c1 71915571 HOJCOVHEVCNYTB-HOCLYGCPSA-N 348.443 1.741 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(S(N)(=O)=O)s1 95396276 OXKXQQWIAPANGI-PWSUYJOCSA-N 346.474 1.607 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)o2)C[C@H]1N(C)C 84735565 DXBATAHXZSJPSN-DGCLKSJQSA-N 328.434 1.236 0 40 EDAB O=C(NCCc1c(F)cccc1F)NCC1CCS(=O)(=O)CC1 95440231 DLYLVEJJEWIZMQ-UHFFFAOYSA-N 346.399 1.631 0 40 EDAB O=C1NC[C@@H]2CN(C(=O)Nc3cccc4ccccc34)CCN2C1=O 79046204 MAUXYBMPJHVUGC-CYBMUJFWSA-N 338.367 1.014 0 40 EDAB Cc1cc(N2CC[C@H](NC(=O)CSc3ccccc3)C2=O)n(C)n1 174124146 FEBSGLKPGXHWAY-AWEZNQCLSA-N 344.440 1.742 0 40 EDAB CC(C)n1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccccn2)C1 95986149 HYIVHSALWYCXFS-CYBMUJFWSA-N 335.433 1.822 0 40 EDAB C[C@H]1CN(c2ccccc2CNCC2(O)CCOCC2)C[C@@H](C)O1 88701718 WLDFFWJBMAMABU-IYBDPMFKSA-N 334.460 1.931 0 40 EDAB CN(Cc1cnccn1)C(=O)NCCc1csc(N2CCCC2)n1 74501777 ZADYGDMOUKUXQY-UHFFFAOYSA-N 346.460 1.917 0 40 EDAB CC(=O)c1cn(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc12 79486343 RMIBWGAEHPAEDR-GFCCVEGCSA-N 334.397 1.147 0 40 EDAB C[C@H](NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)C(=O)N(C)C 79480732 APROXIIBGBHIKN-BBRMVZONSA-N 333.432 1.618 0 40 EDAB CN(OCc1ccccc1)C(=O)Cc1ccc(S(N)(=O)=O)cc1 89310204 JSOFMOGGWFQFJI-UHFFFAOYSA-N 334.397 1.467 0 40 EDAB O=C(NC[C@H]1CN(C2CCOCC2)Cc2ccnn21)N1CCCC1 306127373 FXCOVOTZHKSMMO-INIZCTEOSA-N 333.436 1.224 0 40 EDAB O=C(NCCCc1nc[nH]n1)c1cccc(OC[C@H]2CCCO2)c1 75144723 GYPRBNMCZJHYEU-OAHLLOKOSA-N 330.388 1.725 0 40 EDAB CCN(CCNC(=O)[C@H]1CC(=O)N(CCOC)C1)c1cccc(C)c1 65405985 ZNSUQHNFXDKSGT-INIZCTEOSA-N 347.459 1.432 0 40 EDAB COCC(=O)N[C@H]1CCCC[C@]12CN(Cc1ccncc1)CCO2 306133730 MTWZZNPIMRSIJU-WMZOPIPTSA-N 333.432 1.358 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ccn(C)c3)CC2)[C@H]2COC[C@H]21 1026095867 HJMVIWPKIMTFEV-JKSUJKDBSA-N 331.416 1.125 0 40 EDAB Cc1cc(C(=O)NC[C@@H]2CCCN2[C@H]2CCN(C3CCC3)C2=O)no1 1027743581 LTQPHEILNLNWBS-HOCLYGCPSA-N 346.431 1.331 0 40 EDAB COCC(=O)Nc1ccc(NS(=O)(=O)[C@H]2CCCC[C@H]2O)cc1 78551958 ZPVOVVPQVMXINX-KGLIPLIRSA-N 342.417 1.317 0 40 EDAB C[C@H](NC(=O)NCc1ccccc1Br)C(=O)N(C)C 189780420 QCONQXVUGGLWSF-VIFPVBQESA-N 328.210 1.725 0 40 EDAB O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cc2ccccc2[nH]1 129133787 NTIGLFRTMZNFCC-PYTWLRIVSA-N 349.390 1.705 0 40 EDAB Cc1nccn1C[C@H]1CCCN(CC(=O)NCc2ccccn2)C1 36752981 VMKRUGLBPVEKDU-INIZCTEOSA-N 327.432 1.615 0 40 EDAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nnc2n1CCN(C)C2 72373994 XVYKWZYBKCZKDA-GFCCVEGCSA-N 346.460 1.856 0 40 EDAB Cc1noc(CCCNC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)n1 79000004 IFRBXTRIXZHSFG-GJZGRUSLSA-N 348.447 1.856 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)c1ccc(C)cc1 41097885 NRINJIJNZTXPKZ-HNNXBMFYSA-N 334.416 1.819 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NCC(C)(C)C 226057414 UFMORDFKYFKVAN-UHFFFAOYSA-N 346.424 1.617 0 40 EDAB O=S1(=O)CCN(C2CCN(c3ccc(Cl)cn3)CC2)CC1 225602872 AUDQSKRGWHQDHM-UHFFFAOYSA-N 329.853 1.434 0 40 EDAB CC(C)(C)c1cc(C(=O)NCCn2cnc3sccc3c2=O)[nH]n1 225810752 VQZGDSAECXOTLW-UHFFFAOYSA-N 345.428 1.909 0 40 EDAB COC(=O)[C@@H](NCc1cnc2ccc(Br)cn12)[C@@H](C)O 191021080 SBEKGFJGNLQVTD-PELKAZGASA-N 342.193 1.109 0 40 EDAB COCC(=O)NC[C@H]1Cn2c(-c3cccc(Cl)c3)cnc2CO1 96269326 LTPVJEGZFRNACA-ZDUSSCGKSA-N 335.791 1.865 0 40 EDAB biogenic,in-vitro CCOC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cn(C)nc21 96044696 BBBVAEQJTDVLPM-AWEZNQCLSA-N 343.383 1.925 0 40 EDAB CN1C(=O)C[C@H](C(=O)Nc2ccncc2)[C@H]1c1ccc2c(c1)OCO2 95475969 DYBCSRUHJOXVRV-SUMWQHHRSA-N 339.351 1.968 0 40 EDAB Cn1cc(CN2CC[C@@H]3O[C@H](COCCN4CCCC4)CC[C@@H]32)cn1 96186091 SHDUAHAYYDVSSA-FHWLQOOXSA-N 348.491 1.654 0 40 EDAB Cc1oncc1C(=O)NC[C@]12COC[C@H]1CN(Cc1nccs1)C2 96108484 VWDCONMORRKDBJ-WBMJQRKESA-N 348.428 1.318 0 40 EDAB Cc1ccc(N[C@@H]2CO[C@@]3(CCCN(Cc4nccn4C)C3)C2)nn1 96223182 SWOXDCJMXKPDPM-YJBOKZPZSA-N 342.447 1.754 0 40 EDAB O=C([C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@H]21)N1CCCCO1 96043380 XCRDDWQFJFRBJN-FGTMMUONSA-N 345.443 1.863 0 40 EDAB Cc1ccc(C(=O)N2Cc3nccn3C[C@H](CN3CCCC3=O)C2)o1 96066984 ZBNFYVXBFDJHOV-CQSZACIVSA-N 342.399 1.679 0 40 EDAB Cc1ccc(NC(=O)C(C)(C)C(=O)O)cc1N1CCCS1(=O)=O 579838260 OMNMPHLGKLQGMZ-UHFFFAOYSA-N 340.401 1.584 0 40 EDAB COc1cc(CN2C[C@@H]3C[C@@H](CC(=O)N(C)C)O[C@@H]3C2)cc(OC)c1 96206616 WZHKAGSKDIZSFV-JCGIZDLHSA-N 348.443 1.771 0 40 EDAB CS(=O)(=O)c1cccc(OCCN2CC[C@H](N3CCCC3)C2)c1 96414855 MYHLFWBHGRWWHX-HNNXBMFYSA-N 338.473 1.639 0 40 EDAB O=C1N(c2ccccc2)CC[C@]12CCCN(S(=O)(=O)C1CC1)C2 96224484 XRORXSGOZWKWQP-KRWDZBQOSA-N 334.441 1.998 0 40 EDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)c2cccnc2)CC12CCOCC2 96052152 LYIJQPYPBSARCB-INIZCTEOSA-N 343.427 1.477 0 40 EDAB O=C(c1cccnc1)N1CC2(C1)OCC[C@H]2COCc1ccncc1 247859807 MGHANUPCDQUAOU-KRWDZBQOSA-N 339.395 1.925 0 40 EDAB CCOc1cc(CNC(=O)c2nc(=N)cc[nH]2)ccc1OC(F)F 585118992 LPMGJFGRKDRVLV-UHFFFAOYSA-N 338.314 1.819 0 40 EDAB CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccccc1C 585113744 AEQACJFKUGZNAJ-YOEHRIQHSA-N 326.400 1.961 0 40 EDAB C[C@@H]1CO[C@@H](CO)CN1Cc1cnc(SC(F)(F)F)n1C 585117223 VMTDJBCPGIOXSN-PSASIEDQSA-N 325.356 1.614 0 40 EDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccsc3)C2)ncn1 257268420 MLQAFDPMYFFNMA-INIZCTEOSA-N 332.429 1.560 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCCCNC1=O)c1ccc(-n2ccnc2)cc1 43148076 QEUZVKYWAAADGI-BBRMVZONSA-N 341.415 1.901 0 40 EDAB COc1cc(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)ccn1 253537697 KQAOULDQYPEESI-UHFFFAOYSA-N 343.387 1.293 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(Cc3cnn(C)c3)CCN2C)c1 257305651 SQWUNXRPKVRWGP-QGZVFWFLSA-N 327.432 1.268 0 40 EDAB CNC(=O)CN1CCC2(CC1)C[C@H](N(C)c1ccc(C)cc1)CO2 257254366 KCTNDKQKDIMAFR-KRWDZBQOSA-N 331.460 1.801 0 40 EDAB COc1ccc2nnc(CNC(=O)c3cccc(SC)c3)n2n1 252494405 NUPPYQORYAEOIC-UHFFFAOYSA-N 329.385 1.785 0 40 EDAB COc1cccc([C@H](C)C(=O)N[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1615586545 OPIYBTCHEPUYBO-GXTWGEPZSA-N 342.399 1.454 0 40 EDAB CC(C)(C)OC(=O)NC1(CCN[C@@H]2C(=O)NCC2(C)C)CCC1 1616038373 RZOVHTDVIKNRPV-GFCCVEGCSA-N 325.453 1.938 0 40 EDAB CN(C)[S@@](C)(=O)=NCc1ccc(NC(=O)C2(O)CCC2)cc1 1616037816 PSHLROMCMXISDC-QFIPXVFZSA-N 325.434 1.615 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@H]2COc1ncccc1F 575403041 HWOZRXYZJJQQJB-LBPRGKRZSA-N 344.408 1.429 0 40 EDAB CC(=O)N1CCC(C(=O)NCc2cccnc2-c2cnn(C)c2)CC1 575606061 CTORNSHIODLRSQ-UHFFFAOYSA-N 341.415 1.357 0 40 EDAB Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)Cn3cccn3)[C@H]2O)c1 585286627 NREQMUWXXTTXSM-SZVBFZGTSA-N 343.427 1.916 0 40 EDAB CO[C@H]1CCCN(CC(=O)NCc2ccc(C)cc2)[C@H]1CCC(N)=O 585279111 TYQDDMLVAVYYCL-IRXDYDNUSA-N 347.459 1.356 0 40 EDAB COCc1nnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@@H](C)C2 585096787 AMGVVOXEELDVCR-NSHDSACASA-N 344.371 1.240 0 40 EDAB Cc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CO[C@H]2CNC(=O)C2CC2)C1 585108090 WBQGGOKMIDQFOF-NXHRZFHOSA-N 342.439 1.998 0 40 EDAB O=C(CCNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)Nc1ccncc1 69587319 UNCLDQYPNNXPHA-HNNXBMFYSA-N 339.351 1.308 0 40 EDAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cnn3ccc(C)nc23)C1 1553717495 BGWMUELQTLEOQR-DGCLKSJQSA-N 326.360 1.363 0 40 EDAB CCOc1ccc(/C=C/C(=O)N(C)C[C@H]2CCS(=O)(=O)C2)cc1 72293432 MRXRTYPOHGQIAK-RZIFZGNASA-N 337.441 1.992 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N2CCN(c3cnn(C)c3)CC2)c1 80768181 VXHHFJOUWGKAQZ-UHFFFAOYSA-N 338.408 1.379 0 40 EDAB CCCCC(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 96121335 UMPGZURGVVHQCS-UHFFFAOYSA-N 333.436 1.152 0 40 EDAB Cc1cnn(C)c1S(=O)(=O)N[C@@H](CC(=O)O)c1ccccc1F 551995539 SYOLDTXRKNFQFZ-LBPRGKRZSA-N 341.364 1.362 0 40 EDAB COc1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c(F)c1 5088488 VSSFEHRNPWTAGO-UHFFFAOYSA-N 346.314 1.729 0 40 EDAB CCCCN(CCCC)Cc1c(C(=O)O)nnn1-c1nonc1N 5451981 ZYFAWPDYKUOSMS-UHFFFAOYSA-N 337.384 1.333 0 40 EDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cc(C)on1 11615692 OXQJQDUQNXECFV-UHFFFAOYSA-N 325.346 1.751 0 40 EDAB Cc1nc(C)n(CCNC(=O)[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C)n1 12195761 KLBWSIDIAVXKJU-QLJPJBMISA-N 345.378 1.589 0 40 EDAB CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C1=O 12918271 NCHFAEQUOIBKBR-UHFFFAOYSA-N 334.719 1.701 0 40 EDAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1ccco1 19930488 DNJXPDCSLWKGLK-UHFFFAOYSA-N 348.424 1.969 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC 19936834 RRHAATITYJJMRV-UHFFFAOYSA-N 328.390 1.319 0 40 EDAB Cn1nccc1C(=O)NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 643585173 OMILJTFAGVLUTB-KBRIMQKVSA-N 329.400 1.759 0 40 EDAB Cc1cc(N2CC(Cn3cc(Br)cn3)C2)n2ncnc2n1 1889134432 JNDMSWGKSNUAKC-UHFFFAOYSA-N 348.208 1.528 0 40 EDAB COc1ccc(CN2CCO[C@]3(CCCCN(C)C3=O)C2)cc1OC 2037983640 BBODJJOZISMCIM-LJQANCHMSA-N 348.443 1.917 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)c3cnc(Cl)cc3Cl)C[C@@H]2C1 1614929589 FKVQXLGJPBAZAQ-JOYOIKCWSA-N 330.215 1.791 0 40 EDAB O=C(N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1)C1(F)CC1 1614929978 KUHCPWAXUZUIDX-KRWDZBQOSA-N 331.391 1.925 0 40 EDAB COc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 11126303 GCLQUDLTJMZHAG-UHFFFAOYSA-N 327.384 1.857 0 40 EDAB COc1cc(C(=O)O[C@H]2[C@H]3C=CO[C@@H](C)[C@H]3[C@@]3(CO)O[C@H]23)ccc1O 100230907 DVELQCYNMSLGKX-JBLCSEPFSA-N 348.351 1.235 0 40 EDAB CC(=O)Nc1nc(CC(=O)NCc2nc3ccccc3[nH]2)cs1 44174702 UATPLZHGTJBJHQ-UHFFFAOYSA-N 329.385 1.837 0 40 EDAB O=C(NCc1ccccc1)C(=O)NC[C@H](c1ccco1)n1cccn1 575613339 FXRYFAACDYWHOR-OAHLLOKOSA-N 338.367 1.498 0 40 EDAB O=c1ccc(-c2cccnc2)nn1CC1CN(c2ncncc2F)C1 585606146 QLEAQGFEXSAOFW-UHFFFAOYSA-N 338.346 1.371 0 40 EDAB O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1ccc2c(c1)OCO2 225801069 RMJLXLDGAVOUQV-UHFFFAOYSA-N 340.295 1.084 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(CC4(O)CCCC4)CC3)nn2)n1 2298181576 ZMYPGLBLJJRBJM-UHFFFAOYSA-N 342.447 1.398 0 40 EDAB COc1ccc2cc(C(N)=O)/c(=N/c3ccc(C(N)=O)cc3)oc2c1 191920 DPDUDKQUZYYOCU-UZYVYHOESA-N 337.335 1.872 0 40 EDAB CCOc1ccc(N[C@H](CC)C(=O)OC)cc1S(=O)(=O)N(C)C 40480300 AULHLCOEAROQPC-GFCCVEGCSA-N 344.433 1.699 0 40 EDAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCCN1CCOCC1 40488866 SNMBAROEBRXGFG-OAHLLOKOSA-N 331.416 1.026 0 40 EDAB COc1ncccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 31320131 OAOGWZHQNKJIKP-CYBMUJFWSA-N 343.358 1.899 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 31402436 RQNYHMMWLZTJGF-VXGBXAGGSA-N 348.353 1.719 0 40 EDAB CNC(=O)CCS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 40528492 SPUFGJVWKBSQAD-UHFFFAOYSA-N 347.820 1.552 0 40 EDAB Cn1cc(S(=O)(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cn1 40539684 IJAGJGHYOQTKFE-HNNXBMFYSA-N 348.428 1.062 0 40 EDAB COc1cc2nc(N3CCC(C(=O)O)CC3)nc(N)c2cc1OC 59743237 VKAOJUHYNXZMSM-UHFFFAOYSA-N 332.360 1.530 0 40 EDAB CN(C)C[C@H]1CN(CCCc2nc(-c3cccs3)no2)CCO1 70021095 FUWLWDYNAQAHAI-ZDUSSCGKSA-N 336.461 1.993 0 40 EDAB CCS(=O)(=O)CC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C 46138489 JVMAYDSEYVAODL-GFCCVEGCSA-N 347.458 1.082 0 40 EDAB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1 11999637 LAVHZWNSPRIUBD-UHFFFAOYSA-N 348.380 1.375 0 40 EDAB COC(=O)[C@@H]1CCCN1CC(=O)N1CCCc2cc(OC)ccc21 69876828 RYBMVPVNWLMPTP-INIZCTEOSA-N 332.400 1.612 0 40 EDAB COCCNC(=O)CN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 52553719 FNUKOOSQVJZZSG-UHFFFAOYSA-N 347.459 1.330 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@H](C(N)=O)C1 52550713 MNCNOCBJFRXZEB-RDJZCZTQSA-N 341.411 1.675 0 40 EDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 6623341 URMCECZMHHBBDC-UHFFFAOYSA-N 346.364 1.769 0 40 EDAB COCc1nc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cs1 76056724 BKOACQSINAOTJO-YPMHNXCESA-N 325.434 1.082 0 40 EDAB c1cnc(N2CC[C@@H]3OCCN(Cc4ccncc4)[C@@H]3CC2)nc1 107803191 LRYSOELNLJUUDQ-SJORKVTESA-N 325.416 1.741 0 40 EDAB Cc1cccc(Cn2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)n2)c1 102603250 UZRFOVBQZBITPB-MUIFIZLQSA-N 337.379 1.907 0 40 EDAB Cc1cnc(NC(=O)CCNS(=O)(=O)c2cccs2)s1 32989074 STASHIDBEUICNP-UHFFFAOYSA-N 331.444 1.820 0 40 EDAB C[C@@H]1CN(C(=O)c2c[nH]c3ccccc3c2=O)C[C@@H]1N1CCOCC1 76056740 UTFFENDYRCNLCV-DYVFJYSZSA-N 341.411 1.321 0 40 EDAB COc1ccc([C@H](CNC(=O)c2ccncc2)N2CCOCC2)cc1 33026094 KISPDZMJSWRXHA-SFHVURJKSA-N 341.411 1.894 0 40 EDAB COCCn1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1=O 47209066 OBZYZMSOPYUXOU-UHFFFAOYSA-N 326.396 1.956 0 40 EDAB Cn1ccnc1CN1CCN(Cc2noc(-c3ccccc3)n2)CC1 69490439 QHYUKHROOVGHES-UHFFFAOYSA-N 338.415 1.788 0 40 EDAB Cc1ccc(N2CCCN(C(=O)c3c(C)nn(C)c3Cl)CC2)nn1 69493454 OJQJMKUYGFPHAZ-UHFFFAOYSA-N 348.838 1.833 0 40 EDAB O=C(C1CC1)N1CCC(C(=O)N2CCN(c3nccs3)CC2)CC1 22181535 LFLAGPVHXSFMGY-UHFFFAOYSA-N 348.472 1.440 0 40 EDAB O=C(NCc1ccccc1)[C@@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]1O2 107264944 NKXARDJFJUTCQM-IPMKNSEASA-N 337.423 1.987 0 40 EDAB CS(=O)(=O)Nc1ccc(CNC(=O)c2cc(C3CC3)n[nH]2)cc1 53536048 XANLANZBUAXZEW-UHFFFAOYSA-N 334.401 1.589 0 40 EDAB Cn1ccc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)cc1=O 53572342 GCQQREYTYQYZEJ-UHFFFAOYSA-N 343.383 1.567 0 40 EDAB C[C@@H](NC(=O)CN1CCN(CCO)CC1)c1ccccc1Cl 22943266 JWRDPJLMHTXCFM-CYBMUJFWSA-N 325.840 1.127 0 40 EDAB Cc1ccc(CNC(=O)CCn2nnc3ccccc3c2=O)n1C 23593008 UKAZEJTWISSUNU-UHFFFAOYSA-N 325.372 1.145 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47932408 UJQIEDZPPUIGAL-UHFFFAOYSA-N 334.401 1.642 0 40 EDAB O=C(NCc1nnc2n1CCC2)N[C@@H]1CCN(Cc2ccccc2)C1 47964589 ORVOHBXSYAMSKQ-OAHLLOKOSA-N 340.431 1.298 0 40 EDAB O=C(Nc1c[nH]ccc1=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 47929243 KBHBGFVZOJSNMQ-AWEZNQCLSA-N 337.379 1.855 0 40 EDAB O=C(CCn1c(S)nnc1-c1cccs1)NC[C@H]1CCCO1 24923619 AOMITTUXMDGJHZ-SNVBAGLBSA-N 338.458 1.981 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(-n2ccnc2)nc1 24900504 PHCVEEDSBCXUED-UHFFFAOYSA-N 346.350 1.616 0 40 EDAB CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(C(=O)NC3CC3)C[C@H]12 107202764 PNXLWVCTSQUMLV-RRQGHBQHSA-N 333.432 1.920 0 40 EDAB COC(=O)COc1ccc(C(=O)OCc2cnn(C)c2)cc1OC 56229567 QKDPQKKVIPXSOY-UHFFFAOYSA-N 334.328 1.338 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H]2Cc3cccc(F)c3O2)C[C@H]1N1CCOCC1 107323201 GRFPLXBLXSVLCL-KBRIMQKVSA-N 348.418 1.698 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C[C@H]21 108148567 SKPRRRCAWRPEJB-MCIONIFRSA-N 345.226 1.568 0 40 EDAB CN(C)CCOc1cc(C(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)ccn1 108465405 RALCXPZSEAUFMJ-IAGOWNOFSA-N 346.475 1.578 0 40 EDAB CCn1cc(NC(=O)N(C)C[C@H](O)COCc2ccccc2)cn1 58016489 ZOJTWZNPABQECH-INIZCTEOSA-N 332.404 1.944 0 40 EDAB C[C@H](C(=O)NCc1ccc(-n2cnc3ccccc32)nc1)n1cncn1 58214589 QRLPWNRCAJNDIP-CYBMUJFWSA-N 347.382 1.889 0 40 EDAB Cn1cc(S(=O)(=O)N[C@H]2CCCCc3ccccc32)cc1C(N)=O 58265977 WTTXFTICBQXQIP-HNNXBMFYSA-N 347.440 1.870 0 40 EDAB CC(C)[C@@H](CNS(=O)(=O)Cc1ccccc1)N1CCOCC1 12782753 QMOFYSPILZXEOE-MRXNPFEDSA-N 326.462 1.463 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)N3CCOC[C@@H]3C)CC2=O)cc1OC 44912262 AYAJZRRTMPIACV-STQMWFEESA-N 348.399 1.304 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 44916438 BYAVOYAMAQAKSH-ZIAGYGMSSA-N 327.384 1.771 0 40 EDAB CCCCN1C(=O)C(=O)N(Cc2cc(=O)n3cc(C)ccc3n2)C1=O 10392595 NKVOVEDSQRGTHT-UHFFFAOYSA-N 342.355 1.094 0 40 EDAB CC(C)[C@H](NC(=O)CN1CSCC1=O)c1nnc2ccccn12 58305415 SLBBSAHNRKLWOC-AWEZNQCLSA-N 333.417 1.076 0 40 EDAB COCCOc1nc(C(=O)NC2=NCC(O)=N2)cc2ccccc12 58323285 HZOCIFABGAGTLD-UHFFFAOYSA-N 328.328 1.316 0 40 EDAB CN(CC(=O)Nc1ccnn1C[C@H]1CCOC1)Cc1ccccc1 58332290 PURNPSDELLAZHM-MRXNPFEDSA-N 328.416 1.990 0 40 EDAB COC(=O)CNS(=O)(=O)c1ccc(NC(=O)CC(C)(C)C)cc1 12852795 NDFBDFJJJDCJTF-UHFFFAOYSA-N 342.417 1.513 0 40 EDAB C[C@@H](OC(=O)CCn1cnc2sccc2c1=O)C(=O)NC1CC1 12875686 AGXHZKQWICVPJU-SECBINFHSA-N 335.385 1.058 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)C1=O 3597262 CHXJHXOBSDCGQX-JSGCOSHPSA-N 329.400 1.931 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C1=O 3597264 CHXJHXOBSDCGQX-OCCSQVGLSA-N 329.400 1.931 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2cc(C)ccc2C)NC(=O)NC1 12981438 XABUZELQYMKDSJ-UHFFFAOYSA-N 332.356 1.590 0 40 EDAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cn[nH]n1 69560026 AZLLGOGAWOKXEL-UHFFFAOYSA-N 333.307 1.858 0 40 EDAB CC(=O)N1CCCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)CC1 69557632 NADHFQQLYWNZEH-UHFFFAOYSA-N 332.400 1.800 0 40 EDAB CC(C)c1nc2c(n1C)CCN(Cc1cccc(OCC(N)=O)c1)C2 69528938 BKEHMSCXUYFRNB-UHFFFAOYSA-N 342.443 1.966 0 40 EDAB CN(Cc1ccco1)C(=O)CN1C(=O)N[C@](C)(c2ccccn2)C1=O 69582013 DNWKJDGUGNHPQZ-QGZVFWFLSA-N 342.355 1.100 0 40 EDAB CN(CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 63118097 OVPBVYZMBMPBNP-LBPRGKRZSA-N 335.835 1.903 0 40 EDAB Cc1ccc(-c2nc(CC(=O)N3CCC[C@@H](C(N)=O)C3)cs2)o1 63615580 PLVIGATXJUVJBT-LLVKDONJSA-N 333.413 1.978 0 40 EDAB CCOCCN1CCN([C@H](C)C(=O)NCc2cccs2)CC1 69738350 JKGWQAPEULVRJK-CQSZACIVSA-N 325.478 1.407 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2ccccc2)NC(=O)N[C@H]1CC 6065746 KWZSDQHMOGVPCD-LBPRGKRZSA-N 332.356 1.752 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1cccc2nsnc12 13718922 QXVFPSNHELNGFZ-UHFFFAOYSA-N 344.400 1.297 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCCC[C@H]2Cn2cccn2)cn1 69968928 XTTVYHJEGKZDNN-AWEZNQCLSA-N 327.388 1.333 0 40 EDAB C[C@@H](O)CN1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 69948960 LKGYPCIUQHFWKK-MJGOQNOKSA-N 345.487 1.739 0 40 EDAB Cn1c(=O)c2c(ncn2CCOc2ccc(Cl)cc2)n(C)c1=O 5263215 IHSPQZWXQQCFLS-UHFFFAOYSA-N 334.763 1.166 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 65434868 BXYGUIYHXDQJNP-ZDUSSCGKSA-N 340.445 1.167 0 40 EDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cccs1)C2=O 4469317 DBAGSDNZVTWIJM-UHFFFAOYSA-N 335.429 1.865 0 40 EDAB O=C(Nc1ccc[nH]c1=O)[C@H]1CSCN1C(=O)c1ccccc1 65534202 FUIIHXMTTXNGJL-CYBMUJFWSA-N 329.381 1.529 0 40 EDAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)Nn1cnc2ccccc21 14169319 KIVGCEHAHCLMQT-UHFFFAOYSA-N 329.385 1.794 0 40 EDAB CNC(=O)c1nn(CN(C)C2CCCCC2)c(=O)c2ccccc12 14202515 UVDNVOULCZWLRA-UHFFFAOYSA-N 328.416 1.978 0 40 EDAB Cn1cnn(CN2CCC(NC(=O)c3ccccc3)CC2)c1=S 14226106 QSUFAVBTHZJVIB-UHFFFAOYSA-N 331.445 1.803 0 40 EDAB CC(=O)N(c1nc(CN(C)[C@H](C)C[S@@](C)=O)cs1)C1CC1 96012891 SYLYNJBTFJZBOS-UZJPJQLHSA-N 329.491 1.857 0 40 EDAB COCC(=O)Nc1cccc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1 66159011 RXEBCHDFFYWJOV-INIZCTEOSA-N 346.431 1.974 0 40 EDAB NC(=O)Cc1csc(NS(=O)(=O)C2=Cc3ccccc3CC2)n1 66250599 IMNLZCYXNDSIFE-UHFFFAOYSA-N 349.437 1.900 0 40 EDAB C[C@H](Sc1cccc[n+]1[O-])C(=O)NCc1ccc2c(c1)OCO2 5780071 BXZHDZDLWSOPPL-NSHDSACASA-N 332.381 1.846 0 40 EDAB Cn1cccc1C(=O)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 6846659 UBKDHTOWVAWWTE-MRXNPFEDSA-N 328.368 1.782 0 40 EDAB CC(=O)Cn1c(=O)c2c(nc3n(C4CCCC4)c(C)cn23)n(C)c1=O 4945200 HOTKECDKEYCSAX-UHFFFAOYSA-N 343.387 1.162 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@H]32)cn1 306129189 HWZCGDJLTZHXML-ARFHVFGLSA-N 329.404 1.269 0 40 EDAB CC[C@@H](C)NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 7346083 BYTIIUMTZUGDHR-GFCCVEGCSA-N 334.445 1.821 0 40 EDAB Cc1n[nH]c(=S)n1CCNC(=O)C1=Cc2cc(F)ccc2OC1 90685127 YCNXSQOFIYEGJT-UHFFFAOYSA-N 334.376 1.980 0 40 EDAB Cn1cc(-c2ccc(N3CCCN(C4CCOCC4)CC3)nn2)cn1 78294909 GWCSXUYDUUGEHH-UHFFFAOYSA-N 342.447 1.568 0 40 EDAB Cc1cc2ncn(C[C@@H](O)Cn3cnc(C)c(C)c3=O)c2cc1C 97082249 FIDPZMLNUWKOPZ-OAHLLOKOSA-N 326.400 1.888 0 40 EDAB NS(=O)(=O)NC[C@@H]1CCCN(Cc2cc3ccccc3s2)C1 97032671 UDLLFRGFTOEKNB-LBPRGKRZSA-N 339.486 1.906 0 40 EDAB C[C@H](CCN1CCOCC1)NC(=O)c1cn(Cc2cccs2)nn1 96431050 PTIHNHMYORKANJ-CYBMUJFWSA-N 349.460 1.229 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2nc(C)c(C)s2)CCN1C[C@@H](C)O 71864681 ZJEIPKUMUQHRBK-BXUZGUMPSA-N 340.493 1.475 0 40 EDAB COc1ccc(CN(C)C(=O)CN2CC(n3cccn3)C2)cc1F 71879115 KORPKXIXIVHPCD-UHFFFAOYSA-N 332.379 1.546 0 40 EDAB COc1ccnc(N2CCN(C(=O)CCc3c(C)noc3C)CC2)n1 71819932 BLMDSYRXXQOPCJ-UHFFFAOYSA-N 345.403 1.371 0 40 EDAB C[C@H](NC(=O)C[C@H]1CCCc2ccccc21)C(=O)N1CCOCC1 71888053 XGOPMYUSNSMZGM-GOEBONIOSA-N 330.428 1.860 0 40 EDAB O=C(c1ccc2c(c1)OCCCO2)N1CCN([C@@H]2CCC[C@H]2O)CC1 72268942 DMFOITHSYQDYLG-HZPDHXFCSA-N 346.427 1.519 0 40 EDAB C[C@@H](NC(=O)NCc1ccc2c(c1)OCCCO2)C(=O)NC(C)(C)C 72274312 OZMNWOALVDVXTA-GFCCVEGCSA-N 349.431 1.950 0 40 EDAB COC(=O)CCN(C(=O)c1ccc(=O)n(C)n1)c1cccc(F)c1 72295942 WYHKBGUZKWMQDS-UHFFFAOYSA-N 333.319 1.129 0 40 EDAB Cc1nn(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c(C)c1Cl 72268997 TVCHEXMMGYLDCG-KBPBESRZSA-N 340.855 1.211 0 40 EDAB CCOC(=O)CN1CCC[C@H](OC(=O)c2cccc3c2OCCO3)C1 72310676 YZGZVRGMZSNHKZ-ZDUSSCGKSA-N 349.383 1.642 0 40 EDAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCC1(O)CCN(C)CC1 72306588 AQDRWBPLIBMITA-LBPRGKRZSA-N 326.824 1.680 0 40 EDAB C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2cnn(CC(N)=O)c2)C1 72305927 FDIWHAZJNGHESG-BZNIZROVSA-N 337.424 1.067 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1ncc(C)c(OC)c1C)CC2 72302189 XVKOGOHUQXFCAZ-UHFFFAOYSA-N 328.416 1.842 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cn(CC(=O)C(C)(C)C)nn1 78902889 SEMSDIFENFHLPA-GFCCVEGCSA-N 344.419 1.434 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)[C@H]1CCCO1 97374127 UXLMUQFRKZNMKM-AEGPPILISA-N 336.457 1.965 0 40 EDAB CN1CCC(CN(C)C(=O)CC2(N3CCOCC3)CCCC2)CC1 78966086 HMEKKDATKLJABG-UHFFFAOYSA-N 337.508 1.822 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)N(C)Cc1cnn(C)c1 25047708 RPSGXBOYPIHEFB-UHFFFAOYSA-N 330.388 1.207 0 40 EDAB Cc1ccc(C[C@H](CNC(=O)Cc2c(C)nn(C)c2C)C(=O)O)cc1 95425424 SBEJCYAUUCGXIZ-MRXNPFEDSA-N 343.427 1.948 0 40 EDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1c[nH]c3ncccc13)CC2 95400563 QGQVNDZLHHLNPD-GJZGRUSLSA-N 329.400 1.955 0 40 EDAB COC[C@@H](NC(=O)c1cc(OC)ccc1Br)C(=O)OC 95994587 SCVDIGZCCGUPHY-LLVKDONJSA-N 346.177 1.376 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(=O)n(C)n1 95948065 ZFRKKZONPHWHCS-LLVKDONJSA-N 349.412 1.017 0 40 EDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccnc1 95949453 GHWUGCAWXPAPGP-HNNXBMFYSA-N 326.335 1.938 0 40 EDAB CC(C)N1CCC[C@H](CNC(=O)NCCNC(=O)c2ccccc2)C1 75128125 ATTGVEFAXQBSFG-MRXNPFEDSA-N 346.475 1.836 0 40 EDAB CC(C)n1nc(C(=O)N2CCN(C)C[C@@H]2C)c2ccccc2c1=O 89938322 PCLGZAZSCDKXOG-ZDUSSCGKSA-N 328.416 1.754 0 40 EDAB CN(C)c1ccc(CNc2cc(N3CCC[C@@H]3CO)ncn2)cn1 75584637 PQZACJDKVACHIJ-CQSZACIVSA-N 328.420 1.511 0 40 EDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2noc(C3CC3)n2)C1 547683682 YKJVXOUBWFZSDU-INIZCTEOSA-N 347.444 1.949 0 40 EDAB CCC[C@@H](C)NC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 36392873 KDTFPRPDLPUJCC-GFCCVEGCSA-N 337.424 1.437 0 40 EDAB Cc1ccc([C@](O)(CCNC(=O)N2CCOCC2)C(F)(F)F)o1 42758395 OYMHPTPVYYLSFX-CYBMUJFWSA-N 336.310 1.770 0 40 EDAB CC[C@H]1CN(S(=O)(=O)c2ccc(OCCOC)c(C)c2)C[C@H]1O 536328123 IMXVUPGVRCXNDI-DZGCQCFKSA-N 343.445 1.412 0 40 EDAB Cc1cc(N2CC[C@@H](Nc3cnn(CC(F)(F)F)c3)C2=O)n(C)n1 126219053 HURZWMRBMMVUAD-LLVKDONJSA-N 342.325 1.705 0 40 EDAB O=S(=O)(Cc1noc2ccccc12)N[C@@H](CO)Cc1ccccc1 125840839 QWGISLLSEVHUTJ-CQSZACIVSA-N 346.408 1.851 0 40 EDAB CCSc1nnc(NC(=O)c2ccc(-n3cccn3)nn2)s1 70641217 GBNWETWUAKOCHC-UHFFFAOYSA-N 333.402 1.878 0 40 EDAB COc1ccccc1CNS(=O)(=O)c1ccc(-n2cnnn2)cc1 35291027 TUKZUENBZIKUIQ-UHFFFAOYSA-N 345.384 1.149 0 40 EDAB O=C1c2ccccc2C(=O)N1CCCC(=O)N1[C@H]2CC[C@@H]1COC2 75166529 ITNGBLUCSBUKND-BETUJISGSA-N 328.368 1.453 0 40 EDAB Cn1[nH]c([C@H]2CCCN2C(=O)[C@H]2CCc3ccccc3C2)nc1=N 520416854 VYFVNLZXZPLJIW-LSDHHAIUSA-N 325.416 1.696 0 40 EDAB CCOC(=O)c1cc(N)c(Sc2nnc(C)n2N)c(Cl)c1 70462539 ODSWFNMOZDYIIH-UHFFFAOYSA-N 327.797 1.864 0 40 EDAB COc1ccccc1Oc1cncc([C@@H]2CCCN(CC(N)=O)C2)n1 72361839 WEBIEZHGJHWEAD-CYBMUJFWSA-N 342.399 1.942 0 40 EDAB Cc1nc([C@@H]2CCN2Cc2cncn2C)cc(N2CCOCC2)n1 72387507 NIRZCVCQVJEGBV-INIZCTEOSA-N 328.420 1.302 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NCCCOC2CCCC2)s1 223693177 KBUFGBLGWHSDBF-UHFFFAOYSA-N 348.450 1.124 0 40 EDAB COc1ccc(OCCNC(=O)c2cccnc2-n2cncn2)cc1 44906841 QBANRQYXUIGLQZ-UHFFFAOYSA-N 339.355 1.480 0 40 EDAB Cc1cc(C)c(N2CC[C@@H](NC(=O)NCc3cc[nH]n3)C2=O)c(C)c1 225583659 JBOACMAJTZJHML-OAHLLOKOSA-N 341.415 1.940 0 40 EDAB O=C(NCCn1nc([C@@H]2CCNC2)c2nccnc21)C1CCCCC1 19404440 BTVPVQMTLTXYPF-CQSZACIVSA-N 342.447 1.600 0 40 EDAB CN1CCN(CCCN[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 89223471 ZWNIDRZIFNCKFJ-HNNXBMFYSA-N 326.485 1.223 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccc(Br)s2)CC(=O)N1C 225689076 YAXRJKYALGPDDQ-QMMMGPOBSA-N 346.250 1.883 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCC(=O)NC2(C)C)nn1C1CCOCC1 529305375 WWQXHNGSXLAVTP-AWEZNQCLSA-N 334.420 1.330 0 40 EDAB Cc1noc(C)c1CCCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 84806251 ZWDXQWOMKWURCB-HNNXBMFYSA-N 333.432 1.989 0 40 EDAB Cc1cc2c(NC[C@@H]3CCCN(C)[C@H]3c3cncn3C)nccn2n1 583618152 FYHVNAXVGGANJP-WMLDXEAASA-N 339.447 2.266 0 40 EDAB CCOC(=O)N1CCC(C)(CNc2cnn(CC(=O)NC)c2)CC1 583650945 DBKRFCPZSJCMSY-UHFFFAOYSA-N 337.424 1.300 0 40 EDAB O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95382586 RUQRFFVRMJRRRS-CQSZACIVSA-N 341.415 1.786 0 40 EDAB COc1ccc(CC(=O)N2CC[C@H]3[C@H]2CCN3c2nncs2)cc1 96184887 NQSGYOBCHDCVEI-CABCVRRESA-N 344.440 1.969 0 40 EDAB O=C(c1cccnc1)N1CCC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96048376 ZKQKCNVZWFAJIM-YJBOKZPZSA-N 339.399 1.747 0 40 EDAB Cc1ccsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccno2)C1 96108479 MWJRYYWSXFQIFW-DYVFJYSZSA-N 347.440 1.923 0 40 EDAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2Cc2cnn(C)c2)cn1 96200686 XGPGUWZNHBUPQS-ROUUACIJSA-N 329.448 1.766 0 40 EDAB CCN1CCO[C@@H](C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)C1 578892049 LRCBFODODWNLAB-OWCLPIDISA-N 332.400 1.034 0 40 EDAB CNC(=O)c1ccc(OC)c(NC(=O)C[C@@H](N)Cc2ccccc2)c1 578998214 PXGNLZBCMXPEQH-HNNXBMFYSA-N 341.411 1.953 0 40 EDAB Cc1cncc(C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)c1 96186217 KKCWZQRDEIHOHA-HZPDHXFCSA-N 330.432 1.157 0 40 EDAB CN1CCN(Cc2nnc(C3CC3)n2C)C[C@H]1c1nc(C2CC2)no1 580103445 BDUOWLHSYYSXEH-ZDUSSCGKSA-N 343.435 1.442 0 40 EDAB O=C(c1ccncc1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109002 GLXABIINUQDYAR-APWZRJJASA-N 339.395 1.782 0 40 EDAB CC(C)c1nn(C)c(Cl)c1C(=O)N1CC[C@@](O)(c2cnn[nH]2)C1 583619109 HULIHJLTVFLZRX-AWEZNQCLSA-N 338.799 1.049 0 40 EDAB CN(C)C(=O)C[C@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2O1 96208173 FCBNUXDPYRNXHK-JJRVBVJISA-N 332.400 1.483 0 40 EDAB COc1cccc(S(=O)(=O)N2CC3(C[C@@H](OC)CCO3)C2)c1 247944695 JKXWLKUTCFXJBV-ZDUSSCGKSA-N 327.402 1.264 0 40 EDAB O=C(COC[C@H]1CCOC12CN(Cc1ccccn1)C2)N1CCCC1 247733588 IQGNKAJVBVZXIO-MRXNPFEDSA-N 345.443 1.312 0 40 EDAB CC(=O)N1Cc2ccnn2[C@H](CC(=O)NCCc2cccs2)C1 247950202 QJQVMRIOZVTJFF-CQSZACIVSA-N 332.429 1.597 0 40 EDAB O=C1N[C@]2(C[C@H]3CC[C@H]2N3C(=O)Cc2cccnc2)Nc2ccccc21 247877003 UJEGTNAPYZYEBO-ZTQAJYAQSA-N 348.406 1.939 0 40 EDAB CC(C)[C@H](Cn1nccn1)NC(=O)c1cncc(Br)c1 245093505 RRHJGRQQVZAUIJ-LBPRGKRZSA-N 338.209 1.890 0 40 EDAB CS(=O)(=O)NC[C@H]1CN(Cc2cccs2)Cc2ccnn2C1 247516173 JXPGOYYHUDWEIF-LBPRGKRZSA-N 340.474 1.126 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2[nH]nnc2C(=O)N2CCCC2)c(C)c1 585086152 NFTWDWRHCGMPKT-UHFFFAOYSA-N 349.416 1.458 0 40 EDAB CN(C1CCN(c2cnccn2)CC1)S(=O)(=O)c1ccsc1 585081704 JXDSXJWIGYRFPJ-UHFFFAOYSA-N 338.458 1.828 0 40 EDAB CC(C)=CC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 585087018 VRZRVCMBXGAQBS-UHFFFAOYSA-N 330.381 1.277 0 40 EDAB O=C1N[C@@]2(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)C[C@H]3C[C@H]1[C@H]2C3 585090324 GFCSPRBDAJOZNA-RLMIQPIMSA-N 344.802 1.747 0 40 EDAB COc1cccc(/C=C/C(=O)N[C@H]2CCN(C[C@@H]3CNC(=O)O3)C2)c1 585087811 SWASISDOYVWZMK-NCVJHSOJSA-N 345.399 1.007 0 40 EDAB COC(=O)C1(CNC(=O)c2cc(C)nc(NCC(F)(F)F)c2)CC1 585132252 RGVVYBREASKSAW-UHFFFAOYSA-N 345.321 2.047 0 40 EDAB CC(C)(C)OC(=O)[C@@H]1C[C@H](O)[C@H](NC(=O)c2ccc(O)c(F)c2)C1 585126644 FBVYQRHKSAFTQH-SUHUHFCYSA-N 339.363 1.742 0 40 EDAB O=C(C[C@H]1CCCS(=O)(=O)C1)N1CC(Nc2ccc(F)cc2)C1 585137725 QSDVRUULHXDXLJ-GFCCVEGCSA-N 340.420 1.663 0 40 EDAB CCO[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 253386239 WBNZOFGRNKJSAL-OAHLLOKOSA-N 343.383 1.602 0 40 EDAB CCn1nccc1-c1nccnc1C1CCN(S(C)(=O)=O)CC1 257260751 LEDZOKPCQGNAKC-UHFFFAOYSA-N 335.433 1.499 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCO[C@H](c3nccnc3N)C2)n1 257271959 NALZMMZZOGYPPU-NSHDSACASA-N 346.391 1.098 0 40 EDAB Cc1nccc(C(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)n1 257252727 JVXRJYMJRRTKOI-GOSISDBHSA-N 341.415 1.284 0 40 EDAB Cc1c(CCC(=O)N2CCOC[C@@H](Cc3ccncn3)C2)cnn1C 257218296 DCOLBTLXWONPJA-HNNXBMFYSA-N 343.431 1.169 0 40 EDAB CNC(=O)[C@]1(COC)CCCN1C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 606445100 YECKFIKWMCYBAV-YKTARERQSA-N 328.412 1.326 0 40 EDAB CN(C)C(=O)c1cn(CC(=O)NC2CCCC2)c(=O)c2ccccc12 585141901 IBGPIBDUVVOJNO-UHFFFAOYSA-N 341.411 1.762 0 40 EDAB Cc1ccc(C[C@]2(CO)CN(C(=O)Cc3cnc[nH]3)CCO2)cc1 585276090 LTVLZDNUPNJNLG-GOSISDBHSA-N 329.400 1.093 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)Cc3nonc3C)CCO2)c1 585276305 GBXIKRGULYPAFI-GOSISDBHSA-N 345.399 1.062 0 40 EDAB Cn1ncc(NS(=O)(=O)c2cc(C(=O)O)ccc2O)c1C(F)F 677551600 DPMOOWUHLONHNS-UHFFFAOYSA-N 347.299 1.562 0 40 EDAB O=C(Cn1c(-c2ccccn2)noc1=O)N1CCc2sccc2C1 58283302 BCUATMBRDVMXCT-UHFFFAOYSA-N 342.380 1.545 0 40 EDAB CCNC(=O)CN1CCN(C(=O)Cc2ccccc2OC(C)C)CC1 69372908 SUMFSXPQVWWSIZ-UHFFFAOYSA-N 347.459 1.297 0 40 EDAB Cc1cc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)n(C)n1 65412680 ZTAHAHDMMUMWLY-UHFFFAOYSA-N 341.459 1.276 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 66084293 GSDOZYOOSPWBAM-CQSZACIVSA-N 325.752 1.235 0 40 EDAB O[C@H]1[C@H](NCC2CCCC2)[C@H]2CO[C@H](O2)[C@@H]1n1cnc2ccccc21 952844870 PTGFBKITBJXYKL-IEWDOMPSSA-N 343.427 1.842 0 40 EDAB biogenic,in-vitro O=C(N[C@@H](C(=O)O)[C@@H](O)c1ccncc1)c1cc2c(s1)CCCC2 1548599751 MKIKHEXVYWKWOV-CABCVRRESA-N 346.408 1.939 0 40 EDAB CCNC(=O)C1CN(C(=O)c2cc(C)cc(Br)c2)C1 134773552 AEEMFKLWSQKEBN-UHFFFAOYSA-N 325.206 1.966 0 40 EDAB COc1cc2c(cc1OC)[C@H]1C[C@]3(CCN1CC2)CC(=O)NC3=O 5766735 IEEDLAUTWDHEGT-FZKQIMNGSA-N 330.384 1.430 0 40 EDAB C[C@@H]1CN(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)C[C@@H](C)O1 12146754 PXCYULNFGWMMLS-GHMZBOCLSA-N 348.428 1.190 0 40 EDAB COc1ccc(OC)c(NC(=O)Nc2c(C)nc3ncnn3c2O)c1 15777622 YGTXRKRNOYMUQD-UHFFFAOYSA-N 344.331 1.800 0 40 EDAB Cc1nc(O)c(C(c2ccccc2)c2c(O)nc(C)[nH]c2=O)c(=O)[nH]1 16363276 RUYUVTQFPVHRMT-UHFFFAOYSA-N 340.339 1.061 0 40 EDAB Cc1nn(C)c(C)c1CN(C(=O)c1ccc(C)n(C)c1=O)C1CC1 19131541 JPLBFSCAHGDNEO-UHFFFAOYSA-N 328.416 1.849 0 40 EDAB CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)c1cncc(O)c1 19451138 SVSLDSQPGXMYGW-OAHLLOKOSA-N 325.372 1.987 0 40 EDAB Cn1c(=O)n(C)c2cc(CN3CCN(C4CCCC4)C(=O)C3)ccc21 19657950 DNMZMRGOGCPEPL-UHFFFAOYSA-N 342.443 1.464 0 40 EDAB CN(C)C(=O)c1cccc(C2CCN(CC3(O)CCOCC3)CC2)n1 607853186 IRUBLMLQOXLNRH-UHFFFAOYSA-N 347.459 1.504 0 40 EDAB CC(C)(C)c1cn2nc(C(=O)N3CC[C@](F)(C(N)=O)C3)ccc2n1 1888855781 JIWFEVPGYBSAKI-MRXNPFEDSA-N 333.367 1.066 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCc1cccnc1N1CCOCC1 31328708 ZMOLVMRBPWOODE-UHFFFAOYSA-N 343.431 1.127 0 40 EDAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)c1nc3ccccn3c1C)C2 1614937796 OWNOYNHMTZSXNH-HNAYVOBHSA-N 342.443 1.683 0 40 EDAB CC1CC(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)C1 1565551091 JIUIVJDVZUGRNS-KXIUCKCTSA-N 329.444 1.929 0 40 EDAB COC(CN1CC2=C(C1=O)[C@H](c1ccccc1C)NC(=O)N2)OC 12346035 WHKZPRJMYODQSR-HNNXBMFYSA-N 331.372 1.064 0 40 EDAB O=C(c1cc[nH]n1)N1CCC(n2c(O)nc3ccsc3c2=O)CC1 1775973793 TXGBWNIOYGFBOG-UHFFFAOYSA-N 345.384 1.364 0 40 EDAB O=C(NCCc1ccccc1)NC[C@@H]1CCCN1c1ncccn1 585150448 OWXFWNAJTMOEDL-INIZCTEOSA-N 325.416 1.987 0 40 EDAB Cc1ccc(=O)n(CC2CN(c3cc(C(F)(F)F)ncn3)C2)n1 585603420 TVMZWIUBTGUKOX-UHFFFAOYSA-N 325.294 1.497 0 40 EDAB O=S(=O)(NC[C@@H](O)c1ccc2c(c1)CCO2)c1ccccc1F 85559356 DAJRMKKRVKXDMH-CQSZACIVSA-N 337.372 1.773 0 40 EDAB Cn1cc(/C=C/C(=O)N2CCC[C@H](S(N)(=O)=O)C2)c2ccccc21 73098903 IWLDQDGHBCUOEG-VFNNOXKTSA-N 347.440 1.471 0 40 EDAB O=C1CN(c2ccc(NC(=O)NCCc3ccccc3)cn2)CCN1 31085306 GAXDIRGWMJWJNP-UHFFFAOYSA-N 339.399 1.382 0 40 EDAB CC(=O)N1CCN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 51087345 CCLSOOXSUUPWPX-MRXNPFEDSA-N 330.432 1.178 0 40 EDAB CN1CCC(N(C)CCN(C)C(=O)NCc2ccc(F)cc2)CC1 40554999 JYPSGJVAPUERLA-UHFFFAOYSA-N 336.455 1.993 0 40 EDAB C[C@H]1CN(Cc2nc(CC(=O)NCc3ccccc3)no2)C[C@H](C)O1 40513746 NOOMMNMQPUYDQB-KBPBESRZSA-N 344.415 1.538 0 40 EDAB O=S(=O)(c1cccc2nsnc12)N1CCC2(CC1)OCCO2 215260 XORLEAIHGKFTDD-UHFFFAOYSA-N 341.414 1.219 0 40 EDAB CCOc1cc2c(cc1/C=C/C(=O)N1CC[C@@H](C(N)=O)C1)O[C@H](C)C2 41128854 XCHPTPHSWQJVNU-BSWNYTGASA-N 344.411 1.756 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCO[C@@H]2CCCC[C@@H]21 46493222 IGFMTHQCFNWVLH-LSDHHAIUSA-N 327.388 1.510 0 40 EDAB C[C@H](C(=O)N1CCN(c2ncnc3sccc23)CC1)n1cncn1 75699257 STWKAAGIQDLODK-LLVKDONJSA-N 343.416 1.193 0 40 EDAB CC(C)(C)c1nc(NCCO)c2nnn(Cc3ccccc3)c2n1 4898923 QPCGTFKJCJFJFM-UHFFFAOYSA-N 326.404 1.971 0 40 EDAB COC(=O)[C@]12C(=O)N[C@@H](Cc3ccccc3)[C@H]1[C@H](C)C(C)=C[C@H]2CO 6416962 QPXYJXNTJAUDTG-SDKGRYJGSA-N 343.423 1.708 0 40 EDAB CC(=O)NCc1ccc(C(=O)Cn2cnc3ccccc3c2=O)s1 7268913 ODWFWFOQWZFSNL-UHFFFAOYSA-N 341.392 1.977 0 40 EDAB C[C@]1(NS(=O)(=O)c2ccc(Cl)cc2F)CCS(=O)(=O)C1 7304304 KRLZJTSMCRRLAR-NSHDSACASA-N 341.813 1.335 0 40 EDAB CS(=O)(=O)N1CCC[C@H](Nc2ccnc(-c3ccccc3)n2)C1 69810935 NOQANMCLLDCNOS-AWEZNQCLSA-N 332.429 1.980 0 40 EDAB Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 69816884 BUWNNGOLKRAMQM-CQSZACIVSA-N 340.445 1.209 0 40 EDAB CN(C)S(=O)(=O)c1ccc2[nH]c(COC(=O)C3CCC3)nc2c1 69841202 VWLNIDOCGAYXIE-UHFFFAOYSA-N 337.401 1.657 0 40 EDAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCCCOC)cc1 59290316 ASRVYSDCYKJWLI-UHFFFAOYSA-N 343.449 1.875 0 40 EDAB CCOC(=O)[C@@H](Cc1ccccc1)N(CC(=O)NC(=O)NC)C1CC1 69848184 OLPAFGUVOURMBY-OAHLLOKOSA-N 347.415 1.081 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)Nc3cccnc3)C2)n1 69847597 ZVUNWCWFXDXQNM-OAHLLOKOSA-N 328.420 1.641 0 40 EDAB Cc1ccc([C@@H](CNC(=O)N2CCS(=O)(=O)CC2)N(C)C)cc1 103870270 AGRJHDMRDPEAQH-OAHLLOKOSA-N 339.461 1.038 0 40 EDAB Cc1cnc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cn1 22687209 MWRBOCQTIHLBCC-MRXNPFEDSA-N 326.400 1.416 0 40 EDAB Cc1ccccc1OCC(=O)N1CCCN(Cc2nccn2C)CC1 69899992 CDGDPTDXWYFDBN-UHFFFAOYSA-N 342.443 1.842 0 40 EDAB CCOC(=O)c1ccc(N2CCC[C@@H]2C(=O)NCC(F)(F)F)nc1 25570733 LBVVEZTWDCVLHC-LLVKDONJSA-N 345.321 1.906 0 40 EDAB COCCOCC(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 76023241 XJEITQYTSIYDFV-STQMWFEESA-N 330.425 1.459 0 40 EDAB O=C(NCc1cc(=O)[nH]c2ccccc12)[C@@H]1COc2ccccc2O1 76042122 WFBOLPKASAJJCP-KRWDZBQOSA-N 336.347 1.984 0 40 EDAB COCC(=O)N1CCC2(CCCN(Cc3cccnc3)C2=O)CC1 108525742 KFFFTYPLZOUJSL-UHFFFAOYSA-N 331.416 1.459 0 40 EDAB CCS(=O)(=O)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 107731318 VQIZJDQRJKYBQJ-TZMCWYRMSA-N 344.412 1.001 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)[C@@H]1CCOC1 77405425 WUGLHGFVUBSLOQ-DOTOQJQBSA-N 338.473 1.702 0 40 EDAB Cc1nc2c(c(C)c1CC(=O)Nc1ncccc1O)c(=O)[nH]n2C 78497509 MTHJRTIKAVNJHS-UHFFFAOYSA-N 327.344 1.160 0 40 EDAB NS(=O)(=O)c1cccc(CNC(=O)Cc2ccc3c(c2)CCC3)c1 25269792 SGHHJUOADVYDPC-UHFFFAOYSA-N 344.436 1.682 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)Cc3ccsc3)C2)C1 108534834 AZIUGBPKAVUYDT-UHFFFAOYSA-N 328.459 1.221 0 40 EDAB CCOc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1O 100280202 WDBQJJLKYSJHQY-YWEYNIOJSA-N 327.134 1.734 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102590079 HWYZOLTUJQNTFA-UJARPBSLSA-N 336.391 1.987 0 40 EDAB C[C@@H](C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)n1ccnc1 47918740 WPZJCEADPDCFKW-ZDUSSCGKSA-N 330.363 1.568 0 40 EDAB O=C(COc1ccc2c(c1)CCCC2=O)NC(=O)NCC(F)(F)F 58293211 MPMXKABMSYWUDH-UHFFFAOYSA-N 344.289 1.973 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccnc2)n2nc(C)nc2N1 10157083 NVIYXBBFKXYMQU-HNNXBMFYSA-N 340.387 1.129 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@H]1CCCCNC1=O 44967988 JTGZLURJGWDEQP-KGLIPLIRSA-N 347.415 1.527 0 40 EDAB C[C@@H]1CN(S(=O)(=O)NCCCOCc2ccco2)C[C@@H](C)O1 44936070 NAODLNXIVKJQOY-CHWSQXEVSA-N 332.422 1.130 0 40 EDAB COCCn1nc(C)c(CNC(=O)c2cccc3[nH]ncc23)c1C 58323498 OZBWAQNNXDZALB-UHFFFAOYSA-N 327.388 1.953 0 40 EDAB Cc1cc(C(=O)NCCN2CCOCC2)c2cnn(C(C)C)c2n1 45701378 MHRREPYQGAVZRS-UHFFFAOYSA-N 331.420 1.383 0 40 EDAB CC(C)N1C(=O)C(=O)N(Cc2ccn(-c3cccc(F)c3)n2)C1=O 70040357 QENNSSBFNUXXLL-UHFFFAOYSA-N 330.319 1.711 0 40 EDAB Cc1cnn(CCN[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)c1 70006404 FIDKIQDOLFUHKP-GJZGRUSLSA-N 344.415 1.126 0 40 EDAB CN(C)c1cc(CNC(=O)NC[C@@H]2Cc3ccccc3O2)ccn1 48363162 SXGVTRHMJRQQCK-HNNXBMFYSA-N 326.400 1.951 0 40 EDAB CCN1CCN(c2ccc(NC(=O)N[C@H](C)C(=O)NC)cc2C)CC1 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CC[C@@H](CNC(=O)CS(=O)(=O)N(C)C)c1ccc(Cl)cc1 97107413 ZEQAVJSFFPXQGW-NSHDSACASA-N 332.853 1.841 0 40 EDAB CC[C@H](CNC(=O)CS(=O)(=O)N(C)C)c1ccc(Cl)cc1 97107414 ZEQAVJSFFPXQGW-LLVKDONJSA-N 332.853 1.841 0 40 EDAB CCN(CC)CCC[C@@H](C)NC(=O)c1cnc2n(c1=O)CCS2 42537100 KHIAQQHIYHHXEO-GFCCVEGCSA-N 338.477 1.589 0 40 EDAB CN(CC(=O)NC1CCOCC1)[C@@H]1CCCN(c2ccccc2)C1 78969219 XMZGQRCKPVWYAZ-GOSISDBHSA-N 331.460 1.882 0 40 EDAB COCCNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 79075567 CHJOMOGBYHMDPU-VXGBXAGGSA-N 345.440 1.693 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCCNc2ccccn2)[C@H]1c1ccccc1 95396240 YCXAIQZTCKRKOY-MAUKXSAKSA-N 338.411 1.829 0 40 EDAB O=C([C@H](c1ccccc1)n1cnnn1)N1CCO[C@H](c2ccccc2)C1 79494326 DWXVPFZDYBUWLU-ROUUACIJSA-N 349.394 1.863 0 40 EDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 84736502 AFJCVANIRHWGDO-CABCVRRESA-N 336.457 1.678 0 40 EDAB O=C(NC[C@H]1CCC[C@@H]1O)NCC1(N2CCOCC2)CCCCC1 73443558 JVUVWUXSNVIJPQ-CVEARBPZSA-N 339.480 1.482 0 40 EDAB 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COc1ccc(CN2CC[C@@H]3CN(CCN(C)C)CCO[C@@H]3C2)cc1 96249588 PLNBVBHSDRZJCK-UYAOXDASSA-N 347.503 1.780 0 40 EDAB O=c1ccc2c(n1Cc1cccnc1)CCN(C[C@H]1CCOC1)CC2 96196712 XTNWOOJVTRDSET-QGZVFWFLSA-N 339.439 1.729 0 40 EDAB CN(C)C(=O)COC[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2 96208598 SOOAYSRESWXBKB-WBVHZDCISA-N 338.473 1.834 0 40 EDAB Cc1cc(CN2CCn3cc(C(=O)NCC4CC4)nc3[C@@H]2C)no1 247909724 LAZOGQVROXWOET-LBPRGKRZSA-N 329.404 1.896 0 40 EDAB O=C(CCn1ccnc1)N1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 257281383 OOYCBMTWQARFQC-IRXDYDNUSA-N 347.390 1.843 0 40 EDAB Cn1ccnc1CN1CCOC[C@H](Cc2ccc3nccn3n2)C1 257202636 AMRURNJMPONYKP-CQSZACIVSA-N 326.404 1.154 0 40 EDAB NC(=O)c1cc(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)ccc1F 584906629 MRWRXVAJBILIDD-CABCVRRESA-N 329.331 1.704 0 40 EDAB CC(C)[S@](=O)c1ccc(C(=O)N2CCO[C@H](C(=O)O)C2)cc1 584908051 HSFQFBXIPLVJJK-XMHCIUCPSA-N 325.386 1.128 0 40 EDAB CC(C)Oc1ncc(C(=O)N2CCO[C@@H](C(=O)O)C2)cc1Cl 584908046 DXDNVYBZYSVCJE-LLVKDONJSA-N 328.752 1.448 0 40 EDAB O=C(Cn1cc(Cl)cn1)NCc1ccnc([C@@H]2CCCOC2)n1 257332202 XWFNJFTZTMWPRW-LLVKDONJSA-N 335.795 1.537 0 40 EDAB COc1cccc(-c2nc(=N[C@H]3CCO[C@@H]3c3nccn3C)o[nH]2)c1 585079910 XCXXRHRMNYMEBL-KBPBESRZSA-N 341.371 1.843 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](CO)c2cccnc2)c1 585088154 MUYJGTPZZNCQAE-CXAGYDPISA-N 328.368 1.901 0 40 EDAB CNc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccs3)C2)ncn1 257291669 QICHXRYTWZLNAH-INIZCTEOSA-N 347.444 1.293 0 40 EDAB COC(=O)c1ccc(S(C)(=O)=O)cc1NC(=O)COC(C)C 585124487 FOKJDAHEVZSXPH-UHFFFAOYSA-N 329.374 1.240 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CN(Cc3ccsc3)CCO2)n1 257248730 JEXPUKXUYXEQOI-OAHLLOKOSA-N 332.429 1.748 0 40 EDAB CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2cnco2)C1 257338353 YWZUUBLKFRUTPF-KRWDZBQOSA-N 330.388 1.169 0 40 EDAB CCN1CCN(C(=O)c2cncc(C[C@@H]3CCCN(C)C3)c2)CC1 257308815 TYFJTNFERYQPLP-INIZCTEOSA-N 330.476 1.744 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cn1 43008626 QJZTTZYDOMXTFX-UHFFFAOYSA-N 327.388 1.621 0 40 EDAB Cc1cnc(C(=O)N2CCC[C@H](c3ccc4c(N)n[nH]c4n3)C2)cn1 257343504 ZTHGHVSJOAYJGK-NSHDSACASA-N 337.387 1.658 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@](O)(c1ccsc1)c1ccco1 253472805 PLCDMKHBAUNDHB-INIZCTEOSA-N 347.396 1.749 0 40 EDAB C[C@@H](NC(=O)NCCCn1nc2n(c1=O)CCCC2)c1ccccn1 43180823 VTFDMGSPBJLKSU-CYBMUJFWSA-N 344.419 1.227 0 40 EDAB Oc1cc([C@@H]2CCCCN2CC2(O)CCOCC2)nc2ccnn12 257232099 GJKSTCPHNJXIEP-AWEZNQCLSA-N 332.404 1.503 0 40 EDAB CNC(=O)c1cccc(CCC(=O)N2CCC(CC(=O)O)CC2)c1 263249077 ITHLCFDYQDLJJN-UHFFFAOYSA-N 332.400 1.692 0 40 EDAB C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCO1 273096210 DHBQRDUROALSLO-OWCLPIDISA-N 347.463 1.950 0 40 EDAB Cc1nccn1-c1ccnc(C(=O)NC[C@H]2CCNCC2(F)F)c1 1615046614 NSKZEOZLRIZKDB-GFCCVEGCSA-N 335.358 1.550 0 40 EDAB O=C(Cn1cnc(C(F)F)cc1=O)N1CCO[C@H]2CCCC[C@H]21 291556237 BQIHFOYFEAXPJC-NEPJUHHUSA-N 327.331 1.351 0 40 EDAB CC1(C)COC[C@@H](CS(=O)(=O)N(Cc2cccnc2)C2CC2)O1 1615587619 NWNZKJHXJKKHAA-HNNXBMFYSA-N 340.445 1.570 0 40 EDAB N#Cc1ccc(CCC(=O)NCc2cn(-c3ccncc3)nn2)cc1 390828593 BHXVSSMKRKNCKK-UHFFFAOYSA-N 332.367 1.783 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](OCc3cccc(C)n3)CS2)C1 575404632 OYJVAZCWYUUXRP-CQSZACIVSA-N 342.486 1.816 0 40 EDAB C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)nc1Cl)C(N)=O 585139916 APFSOSUCPWVEIG-VKHMYHEASA-N 332.596 1.194 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1nonc1C 585288383 YNEOALUAHDMXRK-MEDUHNTESA-N 336.392 1.056 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21 585095371 SGKSXAQVXRZLKR-AWEZNQCLSA-N 337.383 1.698 0 40 EDAB NC(=O)CN(CC(=O)N[C@H]1CCOc2ccccc21)C1CCCC1 52826470 PEZSRYBBRPJNAJ-HNNXBMFYSA-N 331.416 1.356 0 40 EDAB NC(=O)c1cccc(CN2CCC[C@@H]2C(=O)NCC(F)(F)F)c1 54991954 LITZSXUQIGGMLI-GFCCVEGCSA-N 329.322 1.428 0 40 EDAB O=C(NCCN1C(=O)CNC1=O)c1c[nH]nc1-c1ccc(Cl)cc1 69769674 KQHIMBWZASPKRZ-UHFFFAOYSA-N 347.762 1.012 0 40 EDAB CCOC(=O)N1CCN(C(=O)Nc2cccc([S@](C)=O)c2)CC1 69704379 CUFFJQCLGLLVIL-HSZRJFAPSA-N 339.417 1.730 0 40 EDAB COc1ccnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1 70792206 OCPOWTJKMUMOGT-UHFFFAOYSA-N 333.436 1.010 0 40 EDAB CN1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)Cc2ccccc21 79060230 WNPMNOPCQFJIIF-CQSZACIVSA-N 328.416 1.411 0 40 EDAB CCN(CC)[C@H]1CCN(S(=O)(=O)c2csc(C(=O)O)c2)C1 106365048 HZCZPKQDEBYRQN-JTQLQIEISA-N 332.447 1.551 0 40 EDAB Cc1noc([C@H]2CCN(C(=O)c3cnn(-c4ccccn4)c3C)C2)n1 583620911 BQEDQRBDPKXNCY-ZDUSSCGKSA-N 338.371 1.897 0 40 EDAB O=C(c1ccc(Br)cn1)N1CCC(n2ccnn2)CC1 97032052 MKEIPADGYPNAQN-UHFFFAOYSA-N 336.193 1.913 0 40 EDAB O=C(CN1CCn2ccnc2C1)Nc1ccc(Br)cn1 97201284 XYVAMLGSQDISSD-UHFFFAOYSA-N 336.193 1.495 0 40 EDAB Cc1cnc(-c2nc(O)c3c(n2)CCN(C(=O)c2ccncc2)C3)cn1 13227889 XMBOXYITUBPPSD-UHFFFAOYSA-N 348.366 1.541 0 40 EDAB CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C(C)=C1C(=O)OC 19819199 LCJGMTCPBKAYHB-ZDUSSCGKSA-N 334.347 1.762 0 40 EDAB Cc1nc2n(n1)C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 156418057 YBEQLLDJXKEKPM-ZIAGYGMSSA-N 335.452 1.890 0 40 EDAB NC1(C(=O)NC[C@H]2CC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CCCC1 643585055 HIKAHXXWZOPNER-DAXOMENPSA-N 336.407 1.732 0 40 EDAB COCc1ccc(OC)c(S(=O)(=O)N2CCOCC23CC3)c1 551979297 NLXWISBWJGYYNZ-UHFFFAOYSA-N 327.402 1.395 0 40 EDAB O=S(=O)(CCC(F)(F)F)N1CC[C@@H](Oc2ccncn2)C1 575605074 HBDWWSQJOORZQT-SECBINFHSA-N 325.312 1.212 0 40 EDAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC1 6553531 OUSGCNURINLXST-UHFFFAOYSA-N 342.848 1.973 0 40 EDAB CNC(=O)CN1CCN(Cc2nc(-c3ccccc3)cs2)CC1 22630066 VNRFJULVDCQJBA-UHFFFAOYSA-N 330.457 1.674 0 40 EDAB Cn1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)cc1C(N)=O 28197224 ADPSBTQVZQZROA-UHFFFAOYSA-N 345.327 1.526 0 40 EDAB Cc1nnc(NC(=O)CSc2cc(N3CCCC3)ncn2)s1 36708495 FRHZGABQYPERPG-UHFFFAOYSA-N 336.446 1.968 0 40 EDAB CCC(C)(C)NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 40473987 MWOYJHXFMOMBOF-ZDUSSCGKSA-N 342.461 1.574 0 40 EDAB O=C(c1sccc1F)N1CC2(C[C@H](N3CCOCC3)CS2)C1 2056224107 RMCDQBDFBXVAMF-NSHDSACASA-N 342.461 1.920 0 40 EDAB O=C([C@@H]1CCOC1)N1C[C@H]2c3nc(N4CCCC4)ncc3C[C@H]2C1 1565552963 FFZMOZPFGGFOEY-VHDGCEQUSA-N 328.416 1.211 0 40 EDAB O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCCC1 4479652 OCIYJCLICWACPJ-GFCCVEGCSA-N 331.372 1.369 0 40 EDAB Cc1noc(CC(=O)N2CCC3(CC2)C[C@H](N2CCCC2)CO3)n1 2055835554 GAJZSROZCJVRCR-AWEZNQCLSA-N 334.420 1.166 0 40 EDAB CCc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOC3=O)C2)s1 618257601 YZRIQNUMZUOXJL-SNVBAGLBSA-N 330.431 1.526 0 40 EDAB O=S(=O)(NC[C@](O)(c1ccoc1)c1ccco1)c1cccnc1 618255768 YVKAWNDIAUVWRZ-HNNXBMFYSA-N 334.353 1.482 0 40 EDAB Cc1cc(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)no1 292346763 DTWNSUIACYWMLU-UHFFFAOYSA-N 339.403 1.780 0 40 EDAB O=C(CCNc1ccc2nnc(C(F)(F)F)n2n1)N1CCCC1 40480154 PIDMAKQBDIYIQD-UHFFFAOYSA-N 328.298 1.568 0 40 EDAB CCN(Cc1ccco1)C(=O)C1=NN(c2ccccc2)C(=O)CN1 40516625 UIBOBMSYJSETFX-UHFFFAOYSA-N 326.356 1.578 0 40 EDAB CC(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cccnc2)C1 51467263 BNJRMQKIASXRJI-ZDUSSCGKSA-N 325.434 1.262 0 40 EDAB Cc1ccc(NC(=O)NC(=O)CN2CCC(C(N)=O)CC2)c(C)c1 8392178 KDHSGVAACZTFKC-UHFFFAOYSA-N 332.404 1.149 0 40 EDAB COc1ccccc1CN(Cc1cccs1)C(=O)Cn1cnnn1 8395085 MZUYHBVMGOVIHW-UHFFFAOYSA-N 343.412 1.972 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)cc1 60348798 MCAAKKFKGMDBOW-HNNXBMFYSA-N 339.413 1.805 0 40 EDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2=NCCS2)c1 2620846 IFMXFNTYHZYZOJ-UHFFFAOYSA-N 347.849 1.423 0 40 EDAB CCOC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)c(=O)[nH]2)C1 11905834 SVUHQKRADUVOLL-CYBMUJFWSA-N 328.372 1.611 0 40 EDAB CCN(CC)CCNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 69443981 DJSXXUYZGCDFAF-AWEZNQCLSA-N 327.494 1.536 0 40 EDAB COCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CCCC4 2329714 NVLZNNCKIAPULB-UHFFFAOYSA-N 345.428 1.902 0 40 EDAB Cc1cc(C(=O)NCCS(N)(=O)=O)sc1-c1ccc(F)cc1 69489840 IHVAVUGVRFAMGB-UHFFFAOYSA-N 342.417 1.881 0 40 EDAB CCCOCCCNc1nc(N)nc(NCCCOCCC)n1 4778098 BXJKATAWSCKZNJ-UHFFFAOYSA-N 326.445 1.911 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)NCCc2ccccn2)C1=O 21775085 LHZDOLBRQYAWKN-CQSZACIVSA-N 339.395 1.945 0 40 EDAB COc1ccc(CC(=O)NS(=O)(=O)N2CCCCC2)cc1OC 52794236 UYTDMKKMUFBVNX-UHFFFAOYSA-N 342.417 1.093 0 40 EDAB CN(C)C(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 102742335 BJSCWLFAIZZOIY-GVARAGBVSA-N 328.368 1.850 0 40 EDAB C[C@H](NC(N)=O)C(=O)N1CCN(Cc2cccc3ccccc23)CC1 61072258 XBZKPNODPGUJHW-AWEZNQCLSA-N 340.427 1.541 0 40 EDAB O=S(=O)(NC[C@@H]1CCCN1)c1ccc(F)cc1Br 53254480 KLXGORFOCBZEEQ-VIFPVBQESA-N 337.214 1.619 0 40 EDAB C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 52752890 DGCNRJULNFXOKP-NSHDSACASA-N 348.366 1.545 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H]1Cc2ccccc21 103673538 HIJXDLWHDORTSK-TZUPDSNESA-N 336.391 1.250 0 40 EDAB O=C(/C=C/c1cccs1)N1CCN(c2ncnc3[nH]cnc23)CC1 12323767 KITQNDWSHUTJPE-ONEGZZNKSA-N 340.412 1.776 0 40 EDAB Cc1cc(C)cc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)c1 886870 GBOINSVWVDLVBK-UHFFFAOYSA-N 336.413 1.979 0 40 EDAB CCn1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)n1 57280226 SSUIMAYKNWIOKM-UHFFFAOYSA-N 348.428 1.958 0 40 EDAB Cn1cc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O 61718430 PSQWHRJJBVWKQX-UHFFFAOYSA-N 348.406 1.896 0 40 EDAB O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 104850957 GQNPGRIHXHALTO-SIGLWIIPSA-N 345.351 1.027 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)c1ccc(CN2CCCC2=O)cc1 24475373 URLRWMSTNTWRQR-UHFFFAOYSA-N 326.400 1.815 0 40 EDAB CCN1CCN([C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)CC1 101274132 GPPGRSHTCMNRLU-INIZCTEOSA-N 329.444 1.881 0 40 EDAB c1cc(CN2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)ccn1 107739698 ZIUIARWBNQZANO-OALUTQOASA-N 347.459 1.164 0 40 EDAB O=C(CCc1cc(F)ccc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269419 CFUOIXXCTPLSSP-IRXDYDNUSA-N 338.398 1.955 0 40 EDAB COCc1cccc(CNC(=O)NC[C@H](c2cnn(C)c2)N(C)C)c1 72287690 XQTZSSYVGLVNDI-QGZVFWFLSA-N 345.447 1.669 0 40 EDAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCO[C@@H](CN(C)C)C1 106787283 CEKHXWLQPMJYSS-PBHICJAKSA-N 337.439 1.435 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 25902484 MILTURKHPYJRFX-QWHCGFSZSA-N 340.445 1.544 0 40 EDAB CNc1snc(C)c1C(=O)NCc1ccnc(N2CCOCC2)c1 25291455 ACKIXEAUPGZBPR-UHFFFAOYSA-N 347.444 1.655 0 40 EDAB O=C(O)[C@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)CCO1 43701879 XWBIXSHTVHKZOV-LLVKDONJSA-N 334.155 1.684 0 40 EDAB Cc1ccc(NC(=O)C2CCN(C(=O)NC[C@H]3CCCO3)CC2)nc1 57419168 ARCDNLZPNOGHLY-OAHLLOKOSA-N 346.431 1.929 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1CC(=O)NCc1ccco1 26915961 XTIHRANKBRQYGO-MRXNPFEDSA-N 327.384 1.069 0 40 EDAB O=C1CN(C2CCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 57738253 SWYCQLUVPXHQLQ-JKSUJKDBSA-N 334.441 1.443 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)no1 102849976 HNEOJLZLLLJEKS-KFWWJZLASA-N 346.431 1.502 0 40 EDAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N(C)Cc1ccc2c(c1)OCCO2 27536324 PLQUJMQMZQCXKM-LBPRGKRZSA-N 349.431 1.902 0 40 EDAB C[C@H](Sc1nncs1)C(=O)NCc1ccnc(-n2cccn2)c1 58157444 FUPXNCQCSGHMSL-JTQLQIEISA-N 346.441 1.916 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 44890054 JQNTZWHKPOFYRG-OAHLLOKOSA-N 331.395 1.929 0 40 EDAB Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)C(=O)N(C)C)no1 44952414 BQKYIIGFTDMOEA-NSHDSACASA-N 348.428 1.877 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN2CCCC[C@H]2C)cc1C(N)=O 44937465 ZFLONXQTYKCBQX-CYBMUJFWSA-N 339.461 1.247 0 40 EDAB O=c1oc2ccccc2n1CCN1CCN(C[C@@H]2CCCO2)CC1 44974432 FASDBIRJKYOZSO-HNNXBMFYSA-N 331.416 1.391 0 40 EDAB CC(C)(CNC(=O)c1cccc(N2CCNC2=O)c1)N1CCOCC1 44936584 SZZULOONXVGIDK-UHFFFAOYSA-N 346.431 1.057 0 40 EDAB CCOC(=O)CCN(C(=O)CN(C)C(=O)c1cccs1)C1CC1 58862085 IHDBYYHKUWSQGJ-UHFFFAOYSA-N 338.429 1.764 0 40 EDAB CCn1nccc1CNC(=O)c1cc(-c2ccccc2)nc2ncnn12 36619129 DJHQXZYECRRCMP-UHFFFAOYSA-N 347.382 1.938 0 40 EDAB C[C@@H](CNC(=O)N1CCC(CO)CC1)N1CCc2sccc2C1 48253411 SZFCXWOUZRHQFU-ZDUSSCGKSA-N 337.489 1.909 0 40 EDAB Cn1cc([C@H]2C[C@@H](c3ccc4c(c3)OCCO4)Nc3ncnn32)cn1 48354367 LJRIPOJMBMAYTA-UONOGXRCSA-N 338.371 1.929 0 40 EDAB Cc1nn2c(=O)cc(CN3CCCC[C@@H]3C3OCCO3)nc2s1 69561966 ARHXPBMGIAMWQG-GFCCVEGCSA-N 336.417 1.187 0 40 EDAB Cc1ccc(C(=O)NC2CCN(C[C@@H](O)Cn3cccn3)CC2)o1 69975067 PGDLBNDAXWLTRG-OAHLLOKOSA-N 332.404 1.040 0 40 EDAB COc1ccc(C(=O)N2CCC[C@@H](n3cccn3)C2)cc1OCCO 69652031 PNWJYQQFQNBUMK-OAHLLOKOSA-N 345.399 1.740 0 40 EDAB COc1ccc(C(=O)N2CCCN(Cc3nccn3C)CC2)c(F)c1 69921102 IKYFSWMNMBOPEO-UHFFFAOYSA-N 346.406 1.916 0 40 EDAB CCCCc1c(O)nc(SCC(=O)NC[C@@H]2CCCO2)[nH]c1=O 8582809 JGAQJTHBEHSTRO-JTQLQIEISA-N 341.433 1.205 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cn(C)nc2-c2cccnc2)CC1 69981444 IKUXWXHUAHPCLC-OAHLLOKOSA-N 343.431 1.011 0 40 EDAB CS(=O)(=O)Cc1noc(CN2CCc3cc(F)ccc3C2)n1 91896263 CYGGXLIVRUQDTL-UHFFFAOYSA-N 325.365 1.312 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)N3CCNC3=O)c(Cl)cc12 5040116 DNYMFXBVFSIJJQ-UHFFFAOYSA-N 336.731 1.685 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C(=O)c2ccccc2C1=O 6383872 OBPWGNKEWJHINW-RISCZKNCSA-N 343.383 1.687 0 40 EDAB CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCOc2ccccc21 65417513 DBPSHYDNJNBFPW-UONOGXRCSA-N 340.445 1.590 0 40 EDAB Cc1cccc(-c2nnc(SCC(=O)N3CCNC3=O)n2C)c1 8943170 RJZNVPUMKFAEIG-UHFFFAOYSA-N 331.401 1.434 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)no1 72299308 XLSSCBIVJNAHOT-CYBMUJFWSA-N 341.371 1.639 0 40 EDAB CCCCNC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(F)cc1 67245513 PVKPMUJNXLKYIL-UHFFFAOYSA-N 340.380 1.880 0 40 EDAB CCOc1cc(=O)c(C(=O)N2CCOCC2)nn1-c1ccc(F)cc1 67350178 XSTICVBXRULDLD-UHFFFAOYSA-N 347.346 1.243 0 40 EDAB Brc1cnc(NC[C@@H]2CN3CCCC[C@@H]3CO2)nc1 90145968 FYRLJOISMFBXKM-VXGBXAGGSA-N 327.226 1.904 0 40 EDAB CCc1ncc(CN(C)S(=O)(=O)c2c(C)nn(C)c2C)s1 67405712 LVDGAIKTYVRPGH-UHFFFAOYSA-N 328.463 1.877 0 40 EDAB COc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc2c1OCO2 7127845 YSKFVOKWAVUSET-OAHLLOKOSA-N 337.339 1.870 0 40 EDAB CCOCCNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1 68017071 OJEJCYWMODRUQC-UHFFFAOYSA-N 332.397 1.037 0 40 EDAB CC[C@H](Sc1nnc(O)[nH]c1=O)C(=O)NCCc1ccccc1 71405369 YORZXLRSTHURSR-NSHDSACASA-N 334.401 1.100 0 40 EDAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccccc2O)CC1 7814401 IYYPQPNTAFMNHS-LBPRGKRZSA-N 349.383 1.739 0 40 EDAB O=C(Nc1ccc(C(=O)O)cc1)C(=O)N[C@@H](CO)Cc1ccccc1 71328893 QKGADNYVWHMGQL-OAHLLOKOSA-N 342.351 1.043 0 40 EDAB O=C(c1ccco1)N1CCN(C[C@H](O)COc2ccccc2)CC1 16336559 OVKHAGVNHRVFNP-HNNXBMFYSA-N 330.384 1.477 0 40 EDAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)OCCO3)C1 16336711 DRDSVQNQWKHSJO-CYBMUJFWSA-N 348.399 1.671 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)NCCCOC(C)C)CC2=O)c1 8261498 QZRUFNAAGPKADA-AWEZNQCLSA-N 334.416 1.979 0 40 EDAB Cc1ccc(F)c(-n2nnnc2COc2ccccc2C(N)=O)c1 69370796 AGVSUSAAEPZOEI-UHFFFAOYSA-N 327.319 1.788 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)COCc1cccc(OC)c1)CC2 97198788 PEGHGEMOFIBEMX-AWEZNQCLSA-N 344.415 1.497 0 40 EDAB Cc1nsc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1 96429499 GDODHJGWEQKKHT-UHFFFAOYSA-N 344.384 1.820 0 40 EDAB O=C(Cc1noc2ccccc12)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 71814845 SZLCWCIIUZFWDG-GFCCVEGCSA-N 334.397 1.548 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 71869718 FDMRSNYGYODBOC-WBVHZDCISA-N 344.459 1.974 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCC(=O)N(C)Cc1ccccc1 71853488 IDPXMPHJEZEGEC-ZBFHGGJFSA-N 345.443 1.314 0 40 EDAB CCS(=O)(=O)CCn1nnc(-c2cccc(C(F)(F)F)c2)n1 71910947 MHEDPNWKULCABX-UHFFFAOYSA-N 334.323 1.794 0 40 EDAB CCOc1cc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](CC)C2)ccn1 84736112 CFOZCWHPIYQKAE-GDBMZVCRSA-N 333.432 1.663 0 40 EDAB Cc1ccc(F)c(-n2nnnc2C[S@@](=O)CC2CCOCC2)c1 95439187 RRDYRVAVNBNCDZ-HSZRJFAPSA-N 338.408 1.785 0 40 EDAB CCc1noc2ncc(S(=O)(=O)N(C)CCCCN(C)C)cc12 95940990 CKMFRDYAFPJIPM-UHFFFAOYSA-N 340.449 1.748 0 40 EDAB O=C1Cc2ccccc2N1CCNS(=O)(=O)Cc1ccccc1 74840773 GSWZRZQJRNVIQK-UHFFFAOYSA-N 330.409 1.695 0 40 EDAB CN1CCC(O)(CNC(=O)[C@H]2C[C@]23CCCc2ccccc23)CC1 89375176 JSXBDFQBSQMLRK-XLIONFOSSA-N 328.456 1.854 0 40 EDAB Cc1nc(N2CCN(C(=O)NCc3ccnn3C)CC2)sc1C 89562543 HJQIUCDAFKRLHZ-UHFFFAOYSA-N 334.449 1.525 0 40 EDAB O=C(NCc1cscn1)[C@@H]1COCC(=O)N1Cc1ccccc1 89834826 SBLFZDSNNMCAHT-AWEZNQCLSA-N 331.397 1.187 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CCO1 75582747 UGSRAGHHLPBMKT-HNNXBMFYSA-N 344.371 1.160 0 40 EDAB O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cnn2c1OCCC2 556815985 VBCKOVXJJHMDSV-MRXNPFEDSA-N 340.427 1.918 0 40 EDAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCC(=O)O 409192899 FRPONGLFMBAPKD-RUDMXATFSA-N 340.719 1.335 0 40 EDAB COCCN1CCN([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 42565595 IKALOVDRBINJKN-NVXWUHKLSA-N 347.459 1.279 0 40 EDAB Cn1nc(CC(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)c2ccccc21 519136553 HFKVFKYIJHFNQI-NSHDSACASA-N 340.387 1.346 0 40 EDAB C[C@](O)(CNCc1sccc1Br)CN1CCOCC1 185038821 IAPJTKQCBHAOCW-ZDUSSCGKSA-N 349.294 1.683 0 40 EDAB Cc1c(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)cnn1C 72242304 NINZRINRCUJWSC-DOTOQJQBSA-N 344.390 1.703 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N(C)N(C)c2ncccc21 72335317 MHEXFSXXQXBDND-STQMWFEESA-N 331.420 2.000 0 40 EDAB CC[C@H](O)[C@H]1CCCCN1Cc1csc(CS(C)(=O)=O)n1 75751814 OEFRBLKOVVFOIY-OLZOCXBDSA-N 332.491 1.813 0 40 EDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc[n+](C)cc1 33467495 OVKPMCASSWLPBH-UHFFFAOYSA-O 345.419 1.872 0 40 EDAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccs1 71980292 MHAORHQQOKWPRD-LBPRGKRZSA-N 338.429 1.876 0 40 EDAB O=C(NCCC1CCS(=O)(=O)CC1)N1CC[C@H](n2cccn2)C1 562285422 AQUNXTJAWXITSX-AWEZNQCLSA-N 340.449 1.054 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 46642455 KODBVNYMFRKWHZ-UHFFFAOYSA-N 327.384 1.342 0 40 EDAB C[C@H](c1ccccc1)N1C(=O)C(=O)N(CCOCC(F)F)C1=O 225439777 XOUYXEZUEMXPKS-SNVBAGLBSA-N 326.299 1.820 0 40 EDAB CCN1CN(C(=O)NCc2ccc(F)cc2Br)CC1=O 195580029 SWKKLAQVUSGESX-UHFFFAOYSA-N 344.184 1.919 0 40 EDAB COC(=O)N1CCc2ccccc2[C@H]1C(=O)N[C@@H]1CCSC1=O 75165740 FEDLUEWBDMMLPC-OLZOCXBDSA-N 334.397 1.501 0 40 EDAB Cc1ncc(S(=O)(=O)NCc2noc(-c3ccccc3)n2)s1 225752551 WHFKSAMQPHYLQY-UHFFFAOYSA-N 336.398 1.980 0 40 EDAB COc1ccc(-n2cnc(C(=O)NCCC(=O)NC(C)C)c2)cc1 226752148 GVIGRACXHIPREZ-UHFFFAOYSA-N 330.388 1.525 0 40 EDAB CCc1cc(CNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)on1 81827754 AAFHTQIASAGAAG-UHFFFAOYSA-N 346.778 1.860 0 40 EDAB COC1(c2noc(-c3csc(S(C)(=O)=O)c3)n2)CCOCC1 331623432 UMFJWIIOCRVZQG-UHFFFAOYSA-N 344.414 1.854 0 40 EDAB O=C(Nc1cnn(CC(F)F)c1)N1CC[C@H](CN2CCOCC2)C1 97101296 AIEFDOPWMJGDTM-GFCCVEGCSA-N 343.378 1.334 0 40 EDAB CCOC[C@@H]1C[C@]2(COCCN2S(=O)(=O)c2cccs2)CO1 96240739 UCVZUUQCPFVBMA-JSGCOSHPSA-N 347.458 1.333 0 40 EDAB O=C(NCCc1ccccc1)c1ncn(C[C@@H](O)c2ccccc2)n1 583649698 VFSRTWIBEQWHSJ-QGZVFWFLSA-N 336.395 1.984 0 40 EDAB COc1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc(C)n1 583619586 YCSHUNYJLNAUBA-PBHICJAKSA-N 340.383 1.495 0 40 EDAB C[C@@H]1CN(C(=O)c2cccc(OCc3nnnn3C)c2)C[C@@H](C)O1 96101352 OKVZNKCMNITDRW-VXGBXAGGSA-N 331.376 1.039 0 40 EDAB CN(C)c1ccncc1CN1CCN(c2ccc(C(N)=O)cc2)CC1 97376997 OVAMPOUYXYHRIC-UHFFFAOYSA-N 339.443 1.569 0 40 EDAB Cc1cc(C)n(CCN2CCc3ccc(S(=O)(=O)N(C)C)cc32)n1 96406634 UNTYFEYHOBCNCD-UHFFFAOYSA-N 348.472 1.813 0 40 EDAB CCOC[C@@H]1C[C@@]2(COCCN2C(=O)Cc2cccc(OC)c2)CO1 96240721 MJASADOLJKLQGA-PKOBYXMFSA-N 349.427 1.661 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1)N1CCCCC1 332310645 KGBWLEQEVPOEJD-CVEARBPZSA-N 344.521 1.923 0 40 EDAB O=C([C@@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21)N1CCOCC1 96038873 YDBSECBYNWXTPW-ARFHVFGLSA-N 336.457 1.444 0 40 EDAB O=C(NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@H]1CCOC1 96199258 JPGJRDGQJSDUNA-GXTWGEPZSA-N 346.362 1.136 0 40 EDAB CCN(CCNC(=O)C(=O)Nc1ccc2ncccc2c1)C1CC1 96410742 FOSLAPODYDKRRB-UHFFFAOYSA-N 326.400 1.774 0 40 EDAB CO[C@@H]1CCN(C(=O)C2CCOCC2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 96108617 QIEUZYVKPBJTNZ-RCCFBDPRSA-N 348.443 1.754 0 40 EDAB O=C(CC1CCCC1)N1Cc2nccn2C[C@H](Cn2cncn2)C1 96188671 AWLOQCMQSKATLX-HNNXBMFYSA-N 328.420 1.714 0 40 EDAB COc1ncccc1CN1Cc2ncn(C)c2[C@@H](C(=O)N2CCC2)C1 248038699 NRBKNARMFJTUFW-AWEZNQCLSA-N 341.415 1.155 0 40 EDAB CS(=O)(=O)NC[C@H]1CN(CC2CCCC2)Cc2ccnn2C1 247562558 ZFBOKLMRMOHUGA-AWEZNQCLSA-N 326.466 1.054 0 40 EDAB COc1cccc(C(=O)N2CCC[C@@]2(C(N)=O)c2cnccn2)c1 257283011 OWJGAFFYARLALE-KRWDZBQOSA-N 326.356 1.102 0 40 EDAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cnn(C)c2)ccn1 257344505 ZXPYGTKOILXXEB-MRXNPFEDSA-N 327.388 1.429 0 40 EDAB O=C(O)COc1ccc(CN2CCO[C@H](c3cnccn3)C2)cc1 257210160 BTLZMVINVQYMHV-INIZCTEOSA-N 329.356 1.514 0 40 EDAB Cc1nc[nH]c1CN1CCC[C@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257212477 CDPSDVMPPFYFJV-GFCCVEGCSA-N 337.449 1.299 0 40 EDAB Cn1cc([C@H]2CN(C(=O)c3cc(Cl)cc(F)c3N)CCN2)cn1 585134213 IQFWJKRQHYFSFF-CYBMUJFWSA-N 337.786 1.582 0 40 EDAB O=C(/C(F)=C/c1ccc(C(F)(F)F)cc1)N1C[C@@H](O)C[C@@H](O)C1 585135480 MBPOWRZCMJYECN-AUKXFGQPSA-N 333.281 1.970 0 40 EDAB O=S1(=O)CCN(Cc2cnc(-c3ccccc3)o2)[C@H]2CCOC[C@@H]21 585136635 NSVVLYZHIXFYCJ-HOTGVXAUSA-N 348.424 1.730 0 40 EDAB CC(C)c1nsc(N2CCN(C[C@H]3CCCS3(=O)=O)CC2)n1 585132829 YTXPWFQVMYFOKX-GFCCVEGCSA-N 344.506 1.361 0 40 EDAB O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cnn(-c2ccccc2)n1 43056137 HKXGRSKCLBRIRF-OAHLLOKOSA-N 335.367 1.763 0 40 EDAB CC(C)(C)CN1CCC[C@H](N2CCO[C@H](Cn3ccnn3)C2)C1=O 585115935 AIJVSBWLMMHYQR-GJZGRUSLSA-N 335.452 1.016 0 40 EDAB CCS(=O)(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 253490564 JEHYEJUERFNPEL-BFHYXJOUSA-N 326.418 1.290 0 40 EDAB CN(C(=O)Cc1ccsc1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257324527 WPCSNNYWLBLVBV-BFYDXBDKSA-N 338.473 1.363 0 40 EDAB CN1CC[C@@H](O)[C@@H]2[C@@H](C1)N(Cc1ncc[nH]1)C[C@H]2c1ccccc1 257232851 GMRVTQLRKDKFSP-FAJBIJEISA-N 326.444 1.690 0 40 EDAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2cnc(C)cn2)nc1 257322169 WEVLDQWLGWLZGD-KRWDZBQOSA-N 339.399 1.793 0 40 EDAB Cn1ccnc1CN1CCOC[C@H](Cc2nccn3cccc23)C1 257285116 PFSQYLWPQLFELH-OAHLLOKOSA-N 325.416 1.759 0 40 EDAB COc1ncccc1C(=O)N1CCO[C@@H](c2nc(C)cc(O)n2)C1 257272057 NAXIPKHGWORISS-GFCCVEGCSA-N 330.344 1.108 0 40 EDAB Cn1cc(-c2nccnc2C[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 257213348 CHEJLNHZPFWSCX-LBPRGKRZSA-N 335.433 1.091 0 40 EDAB CCOc1ccccc1CN1CCN(C(=O)CNC(=O)NC)[C@H](C)C1 252492462 MNAJGEWDIRATJM-CQSZACIVSA-N 348.447 1.047 0 40 EDAB CCCn1cc(-c2nccnc2[C@H]2CCCN(S(C)(=O)=O)C2)cn1 257255241 KGSCCHIOUPLOCG-ZDUSSCGKSA-N 349.460 1.889 0 40 EDAB CN(C)c1cccc([C@H]2CN(CC(=O)N3CCCCC3)CCO2)n1 257334385 YFRBJWWLUNSDGI-MRXNPFEDSA-N 332.448 1.533 0 40 EDAB Cc1ncoc1C(=O)N1CCOC[C@H](Cc2nccn3cccc23)C1 257315430 VBIFCJFGLNYIPH-CQSZACIVSA-N 340.383 1.962 0 40 EDAB O=S(=O)(NCCN1CCCOCC1)c1cccc(Cl)c1F 275630363 PYEKAGXMFXTFLZ-UHFFFAOYSA-N 336.816 1.480 0 40 EDAB CCCc1nc(C(=O)NC[C@H]2CN(c3nncs3)CCO2)co1 1615046997 WFUHYONLIMYPHY-JTQLQIEISA-N 337.405 1.114 0 40 EDAB Cc1ccc(CNC(=O)c2cccn(CC(F)(F)F)c2=O)n1C 1615589771 ULEQJXSSZSIOTD-UHFFFAOYSA-N 327.306 1.988 0 40 EDAB C[C@H](Oc1ccccc1F)C(=O)NCc1nc(-c2cnn(C)c2)no1 390829815 GUYCZLDCELCLDX-JTQLQIEISA-N 345.334 1.693 0 40 EDAB COc1ccnc(N2CCN([C@H](C(=O)O)c3ccccc3F)CC2)n1 568061012 WTPFXFQBVGIGGL-HNNXBMFYSA-N 346.362 1.572 0 40 EDAB COCC(=O)N1Cc2ccnn2[C@@H](COCc2cccc(C)n2)C1 575405518 IRNFTJQPKMGRHE-MRXNPFEDSA-N 330.388 1.333 0 40 EDAB Cc1cncc(C(=O)N2CC3(C[C@H](Oc4cnccn4)CCO3)C2)c1 575403855 JZGMXWYNKCYDNV-OAHLLOKOSA-N 340.383 1.633 0 40 EDAB Cn1cnc2c1[C@H](C(=O)N1CC(F)(F)C1)CN(Cc1ccccc1)C2 585110824 LDJFUEYZQRXFIY-CQSZACIVSA-N 346.381 1.997 0 40 EDAB Cc1ccccc1CN1CC2(CC[C@H](CNS(C)(=O)=O)CO2)C1 585103526 BOBPGYZVDJDQGY-OAHLLOKOSA-N 338.473 1.525 0 40 EDAB Cc1nc(CN2CCN([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)no1 69777490 LIYRZLGOSXTIDV-SQWLQELKSA-N 349.479 1.579 0 40 EDAB CS(=O)(=O)c1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)cc1 69893788 YTEOZWPSXZTMBK-OAHLLOKOSA-N 346.456 1.639 0 40 EDAB COc1ncc(Cl)c(N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)n1 1548518792 HDEYESGLJYFPMF-NWDGAFQWSA-N 347.806 1.493 0 40 EDAB C[C@H](C(=O)N1CCCN(C(=O)c2ccc[nH]2)CC1)N1CCCCCC1 95404201 WSRYEGQQVNUKGF-MRXNPFEDSA-N 346.475 1.954 0 40 EDAB O=C1CC[C@@H](C(=O)N2CCC(c3ccc4cccnc4n3)CC2)CN1 655266020 USOCGUJRKYKHOF-OAHLLOKOSA-N 338.411 1.862 0 40 EDAB CCNc1ncc(S(=O)(=O)N(C)CCO)cc1C(F)(F)F 1615045879 KKQGZIZAMALTNM-UHFFFAOYSA-N 327.328 1.145 0 40 EDAB Cc1nccn1-c1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)cc1 19288265 SUFPOKXVBSWMBR-ZOCIIQOWSA-N 326.444 1.820 0 40 EDAB Cc1cc(C)c(NC(=O)C(=O)NCCCN2CCOCC2)c(C)c1 19831573 USWSAXZSZABANQ-UHFFFAOYSA-N 333.432 1.389 0 40 EDAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 205762331 NFYAHIPROQSOES-KPKJPENVSA-N 337.353 1.913 0 40 EDAB CCCn1c(=O)c2c(nc3n(C4CCCC4)c(C)cn23)n(C)c1=O 4945185 VVPDRSZYTYNDNB-UHFFFAOYSA-N 329.404 1.983 0 40 EDAB CCN(CC)C(=O)Cn1c(=O)n(Cc2ccco2)c2ncccc21 12117506 KGDJFHSNGKSSEG-UHFFFAOYSA-N 328.372 1.708 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cn[nH]c5)C[C@H]4C3)n1)CCC2 1888867112 STARJDWXQHYCMC-OKILXGFUSA-N 338.415 1.205 0 40 EDAB CC(C)c1ocnc1CN1CCC[C@H](NS(=O)(=O)C2CC2)C1 1889118461 ZTDBODYGRATRIH-LBPRGKRZSA-N 327.450 1.844 0 40 EDAB COc1cnc(OC2CCN(C(=O)[C@H](C)n3cccn3)CC2)nc1 1889139446 KMTTVOAMGPLBIE-LBPRGKRZSA-N 331.376 1.313 0 40 EDAB CCOCC(=O)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776008882 QXUMCSSMERGUKD-UHFFFAOYSA-N 333.310 1.902 0 40 EDAB O=C(NC[C@@H]1CCCO1)NC1CN(c2ncnc3ccsc23)C1 1776009335 DQTNAFWYBFFBMR-NSHDSACASA-N 333.417 1.358 0 40 EDAB CCCn1nccc1C(=O)NCCn1cc(Br)cn1 28240183 SZYKMWXZRUWMJD-UHFFFAOYSA-N 326.198 1.682 0 40 EDAB Cc1nc(Nc2nccs2)cc([C@@H]2CCCN(CC(N)=O)C2)n1 2037838443 HIORHQCEJVHVSO-LLVKDONJSA-N 332.433 1.650 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(c2ccncc2Br)C1 682239841 ZKQQERZCFNFUKT-SECBINFHSA-N 334.239 1.362 0 40 EDAB Cc1nnc2ccc(N3C[C@@H]4CN(c5ncccc5F)C[C@H]4C3)nn12 2087023443 HVIBUUADHJOJLY-CHWSQXEVSA-N 339.378 1.539 0 40 EDAB Cc1noc(CN2CCN(c3ccnc(N4CCCC4)n3)CC2)n1 2087124866 MUXXCKWRVRNLOC-UHFFFAOYSA-N 329.408 1.090 0 40 EDAB O=C1CC[C@@H]2[C@@H](CCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)N1Cc1ccncc1 1565549864 HLCHIBFWLDWYFV-DXWTWGPWSA-N 341.411 1.066 0 40 EDAB COc1ccc(NC(=O)N2CC(OC[C@H]3CCOC3)C2)c(OC)c1 1565522801 QXTKVGKTATUXJL-LBPRGKRZSA-N 336.388 1.973 0 40 EDAB CNC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21 4359043 NBJKIRQVVRWPHI-UHFFFAOYSA-N 349.346 1.645 0 40 EDAB Cc1cc(NC(=O)C(=O)NCC2(c3ccccc3)CCOCC2)no1 16974264 IVYQGTPZELTWMU-UHFFFAOYSA-N 343.383 1.786 0 40 EDAB COc1cccc([C@H](c2sc3ncnn3c2O)N2CCOCC2)c1 22609852 CVQWZDHYNBBZPI-CYBMUJFWSA-N 346.412 1.927 0 40 EDAB COc1ccccc1OCCNS(=O)(=O)c1ccc2c(c1)CCO2 40162290 HXKMCEIREWAZPL-UHFFFAOYSA-N 349.408 1.987 0 40 EDAB Cc1ccc(C)c(C(=O)CCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 30998158 ZNVTUYVZPLURPK-QGZVFWFLSA-N 337.441 1.960 0 40 EDAB Cc1nc(C)c(CC(=O)NCCCN2CCc3ccccc32)c(=O)[nH]1 31285068 YZAJDRVDDCUPHZ-UHFFFAOYSA-N 340.427 1.498 0 40 EDAB Cc1cnc2c(S(=O)(=O)N3CCCC[C@H]3C(N)=O)cccc2c1 40489764 GAUDNZVRRSKYNT-ZDUSSCGKSA-N 333.413 1.572 0 40 EDAB CC(C)c1ccc(-c2nnn([C@@H](C)C(=O)N3CCNC3=O)n2)cc1 31730281 SBBVQTDKUWWADO-NSHDSACASA-N 328.376 1.576 0 40 EDAB COc1ccc(C(=O)NCCN2CCN(C(=O)C(C)(C)C)CC2)cc1 20904609 FCDDGQRXEWRAIE-UHFFFAOYSA-N 347.459 1.615 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(OC(C)C)c(C)c2)CC1 32401370 GVUGWLTUTJRCOY-UHFFFAOYSA-N 340.445 1.635 0 40 EDAB Nc1cc(=O)[nH]c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)n1 18082427 APXWOVFACCIWDP-CQSZACIVSA-N 330.413 1.808 0 40 EDAB CCN1CCC(NC(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 29607692 KWODAIUORKKWRB-UHFFFAOYSA-N 329.444 1.956 0 40 EDAB CN(C)C[C@@H]1CN(CC(=O)N(Cc2ccsc2)C2CC2)CCO1 69818976 VQLUGIGUUMUCSK-MRXNPFEDSA-N 337.489 1.502 0 40 EDAB CCOc1ccccc1C(=O)NCCS(=O)(=O)Nc1ccccn1 69812962 FJBOMLUBGMNYLJ-UHFFFAOYSA-N 349.412 1.652 0 40 EDAB CCOc1ccnc(N2CCN([C@H](C)c3nc(CC)no3)CC2)n1 69893783 QHOOHMNBAFHHJI-GFCCVEGCSA-N 332.408 1.704 0 40 EDAB CN(C)C(=O)N1CCN(Cc2nc(O)c3ccc(Cl)cc3n2)CC1 29925321 ZUEIQQZYUVTBRU-UHFFFAOYSA-N 349.822 1.788 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)NCC(F)(F)F)ccc2c1=O 32626137 NCVIRVSMJXQTBS-UHFFFAOYSA-N 329.278 1.563 0 40 EDAB CCC[C@H](C)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)=O 1567062 PDKAAOCPTMAORX-NSHDSACASA-N 341.433 1.310 0 40 EDAB COc1cc(N2C(=O)C(=O)[C@@H](C(C)=O)C2=O)c(OC)cc1Cl 1573205 YRLNVNLJKXLZNY-LLVKDONJSA-N 325.704 1.005 0 40 EDAB Cc1cc(C)n(C2CN([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 69948363 QMQIVTVVNGGHDU-NSHDSACASA-N 347.444 1.544 0 40 EDAB CSCC[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1)C(=O)O 41155370 OXEYMGPDKLGFCS-ZDUSSCGKSA-N 338.429 1.437 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)o1 32957012 XYXLFWOCZSMQPX-ZDUSSCGKSA-N 334.397 1.947 0 40 EDAB NC(=S)NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 481552 NSAGLPVITJXVIW-CKUJCDMFSA-N 349.415 1.627 0 40 EDAB CCSCCOC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 52744821 RLVRFKSGPJDONE-UHFFFAOYSA-N 347.458 1.855 0 40 EDAB C[C@H](NC(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1)c1nncn1C 46939668 HIDDRRHEXFSJAP-NSHDSACASA-N 342.403 1.349 0 40 EDAB N=C(N)NC1=NC(=O)C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)S1 8559549 ZYSKBLKSXXLVTD-MRVPVSSYSA-N 343.771 1.289 0 40 EDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)c1cc(C2CC2)[nH]n1 41408268 MYWMFVQPGZCORL-MRXNPFEDSA-N 336.461 1.225 0 40 EDAB Nc1nc(N)nc(SCc2cc(=O)oc3cc4c(cc23)CCC4)n1 8922416 LYQDAKURQIZYIP-UHFFFAOYSA-N 341.396 1.923 0 40 EDAB Cc1ncsc1CN1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 108532713 LDTUWVSPDICEIS-UHFFFAOYSA-N 341.502 1.888 0 40 EDAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(O)cc1 12390701 HKARSZJLUPVJLY-LBPRGKRZSA-N 335.385 1.051 0 40 EDAB Cc1cc(CN2CC[C@@H](N(C)Cc3nnc(C4CC4)n3C)C2)no1 84117055 BKFJMGCTYLYDDS-OAHLLOKOSA-N 330.436 1.695 0 40 EDAB NC(=O)[C@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccccc1 41792785 SGLFZYHLVFPVQM-HZPDHXFCSA-N 341.342 1.662 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N[C@H](CO)[C@@H](C)c2ccccc2)c1 97021193 JVEXOONDQJYSKX-DZGCQCFKSA-N 337.445 1.907 0 40 EDAB CCn1nc(C(=O)N2CCO[C@H]3CCC[C@H]32)c2ccccc2c1=O 53373986 SCRWCCJNXLLNKJ-CABCVRRESA-N 327.384 1.810 0 40 EDAB Cc1ccn2cc(CNC(=O)c3ccnc(-n4cncn4)c3)nc2c1 54139943 BURPHZQQDNRYIO-UHFFFAOYSA-N 333.355 1.548 0 40 EDAB COc1ccc(CN2CCN([C@H](C)C(=O)NC(C)C)CC2)cc1F 23248881 NILSZXQSTNRSHP-CQSZACIVSA-N 337.439 1.865 0 40 EDAB COC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(O)c(OC)c1 1007311 JNDGTZBMZLLHRG-AWEZNQCLSA-N 348.380 1.834 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)NC2CCCCCCC2)C1 42952857 ZMCMBHDDPZCGQJ-AWEZNQCLSA-N 331.482 1.823 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2c(C)oc3nc[nH]c(=O)c23)C1 24602204 UDGBMLUCGMZXBY-JTQLQIEISA-N 333.344 1.240 0 40 EDAB CN1C(=O)C[C@H](C(=O)N2CCC3(CC2)OCCO3)c2ccccc21 24998703 WUZHKSLXUXWASH-AWEZNQCLSA-N 330.384 1.502 0 40 EDAB Cc1ccc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)o1 108534173 BEDGOORMWAHTEA-UHFFFAOYSA-N 326.418 1.522 0 40 EDAB CNC(=O)c1ccc(CN(C)Cn2ncc3ccccc3c2=O)cc1 25065198 BIINFVTUNAUKHV-UHFFFAOYSA-N 336.395 1.846 0 40 EDAB O=C(Cn1cccnc1=O)Nc1cccc(NC(=O)c2ccncc2)c1 25129786 QPBLIJZFPQTRAY-UHFFFAOYSA-N 349.350 1.529 0 40 EDAB Cn1cnn(CC(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c1=O 97048241 OWFNIKHYUWWNOM-JQWIXIFHSA-N 340.305 1.273 0 40 EDAB C[C@H](O)CN1CCN(C[C@@H](O)COCc2cccs2)C[C@H]1C 106869164 RTVRIDMAYUDNIG-QLFBSQMISA-N 328.478 1.013 0 40 EDAB CCc1nnc([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)o1 97033221 JSWAHSQJIHGSPK-WDEREUQCSA-N 338.433 1.952 0 40 EDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)NCCNC(=O)C(C)C 26247535 BFOUFYGPTLBTDH-UHFFFAOYSA-N 348.447 1.656 0 40 EDAB COC(=O)c1ccc(CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 26320947 XAGSCVBKTAYBGH-LLVKDONJSA-N 344.419 1.499 0 40 EDAB O=C(Nc1ccccn1)C1CCN(C(=O)NC[C@H]2CCCO2)CC1 57418550 AVXZRQBPRWMYCI-CQSZACIVSA-N 332.404 1.621 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)COC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106219852 ACRQKMKKIIBDSE-LUKYLMHMSA-N 340.464 1.574 0 40 EDAB O=C(CCn1cncn1)N[C@H]1CCCN(c2ccccc2Cl)C1=O 76022603 ORXANMPIPZQPTC-ZDUSSCGKSA-N 347.806 1.633 0 40 EDAB CC[C@@H]1CN([C@@H](C)C(=O)N2CCCCCC2)CCN1C[C@@H](C)O 72279726 NBJXCLMZRGOBQS-IXDOHACOSA-N 325.497 1.555 0 40 EDAB C[C@H](NC(=O)NC1CCN(CC(N)=O)CC1)c1ccc(Cl)s1 48263999 GCFFYNVSXAZTDU-VIFPVBQESA-N 344.868 1.711 0 40 EDAB CCN1C[C@@H](C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)CC1=O 44913360 KSPZHHDFYMZZQX-KBPBESRZSA-N 341.415 1.304 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCCCCN3CCC[C@@H](C)C3)nc2n1 44952502 LXGJSBANACFXRH-CYBMUJFWSA-N 344.463 1.983 0 40 EDAB Cc1csc(=O)n1CCN(C[C@H]1CCCO1)C[C@H]1CCCO1 44949084 CXHIEKJXDMFCBO-HUUCEWRRSA-N 326.462 1.878 0 40 EDAB COCCCNC(=O)CN(C)C(=O)CCc1ccccc1Cl 58341881 IJSLMGRDGMKCDZ-UHFFFAOYSA-N 326.824 1.884 0 40 EDAB O=C(CCNC(=O)COc1ccc(F)cc1F)NCc1ccncc1 58329341 AZRAMAVOBLBZLR-UHFFFAOYSA-N 349.337 1.561 0 40 EDAB O=C(/C=C/c1ccco1)N1CCN(CC(=O)N2CCCCCC2)CC1 58305556 GZERCUFYEMWQDL-BQYQJAHWSA-N 345.443 1.840 0 40 EDAB NC(=O)c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 58331942 ZJNPURYOGZIIKO-UHFFFAOYSA-N 342.380 1.772 0 40 EDAB C[C@@H](NC(=O)C[C@@H](C)C1CC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 58430416 ITJGWHHSQQSUDR-VXGBXAGGSA-N 341.415 1.980 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 58426600 IXOMREHPFLVIQS-OAHLLOKOSA-N 335.835 1.894 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1ccc(C(=O)NC2CC2)cc1 58428854 GVVJBTJVYBIMGG-UHFFFAOYSA-N 341.459 1.977 0 40 EDAB Cc1noc(C(C)C)c1C(=O)N1CCN(CC(=O)NC2CC2)CC1 36389571 FFPDVTCXLAFWPT-UHFFFAOYSA-N 334.420 1.143 0 40 EDAB Cc1cccc(N2CCN(C(=O)CCNc3ncccn3)CC2)c1 45801063 QOQXKNSIJZHFOX-UHFFFAOYSA-N 325.416 1.936 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 3456723 PBNPDLHHPMBYIL-MRXNPFEDSA-N 337.807 1.975 0 40 EDAB C[C@@H]1CCCN(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 63308852 QQNBDXCMDQJSLI-CYBMUJFWSA-N 339.461 1.072 0 40 EDAB O=C1COc2c(cccc2C(=O)N2CCC[C@@H]2Cn2cccn2)N1 71866822 IIONGJGWKJMAOT-GFCCVEGCSA-N 326.356 1.519 0 40 EDAB COCCNC(=O)CCCCCNS(=O)(=O)c1ccc(C)cc1 4076599 XPMUKDNTCBMYMF-UHFFFAOYSA-N 342.461 1.596 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccc(-c3nc(C)no3)cc2)CC1 71880982 ICGTUZCZABPJPY-INIZCTEOSA-N 344.415 1.574 0 40 EDAB C[C@@H](CNC(=O)NCc1ccccc1Cn1cncn1)N1CCCC1 65565525 ZRGKPVNLWRHBOM-HNNXBMFYSA-N 342.447 1.610 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(C(=O)Nc2ccccc2F)CC1 65585043 DJWXJVOWHJBVFO-ZDUSSCGKSA-N 336.411 1.888 0 40 EDAB O=C(NCCCn1cccn1)[C@@H]1CSCN1C(=O)C1CCCC1 65591470 BUPFHVODRANCKO-AWEZNQCLSA-N 336.461 1.481 0 40 EDAB COc1ccc(Br)cc1C(=O)CSc1nnnn1C 65536318 XOTWBWLAPQGNDS-UHFFFAOYSA-N 343.206 1.956 0 40 EDAB CN(CCOc1ccccc1Cl)Cc1nc(N)nc(N(C)C)n1 14168790 CEXPMFOAFLHKFN-UHFFFAOYSA-N 336.827 1.684 0 40 EDAB O=C(CCN1CCOC1=O)Nc1ccnn1CCc1ccccc1 65607686 BIXVRFGQTCKPOC-UHFFFAOYSA-N 328.372 1.907 0 40 EDAB Cc1ccc(C)c(N2N=C(C(=O)N3CCNC(=O)CC3)CCC2=O)c1 71839438 YOJNKTWSFFSVPL-UHFFFAOYSA-N 342.399 1.135 0 40 EDAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc2c(c1)OCO2 4730857 MUBKMCAAHPLSHH-UHFFFAOYSA-N 340.383 1.571 0 40 EDAB CCNC(=O)c1nc(Cn2nc(C)c(Br)c2C)no1 4721601 BLSNZHQNPZUUMB-UHFFFAOYSA-N 328.170 1.443 0 40 EDAB COCc1ccccc1CNC(=O)CN1C[C@@H](C(N)=O)CC[C@H]1C 71897052 NFCVQYXHWSDXSW-HIFRSBDPSA-N 333.432 1.035 0 40 EDAB O=C(c1csc(-c2ncccn2)n1)N1CCN2CCCC[C@@H]2C1 71839730 CKXNCNWUJRRKCE-GFCCVEGCSA-N 329.429 1.910 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cccnc1S)C2=O 5938938 VJFBRLOVZAOGCH-UHFFFAOYSA-N 334.401 1.516 0 40 EDAB CCCC(=O)N1CCCC[C@@H]1C(=O)/N=c1/[nH]nc(-c2ccoc2)[nH]1 71888476 FRXSBQAMEVYXFZ-GFCCVEGCSA-N 331.376 1.606 0 40 EDAB O=C(NCCSCc1ccccc1F)N1CCS(=O)(=O)CC1 71803882 KWHIDRWVCNMBLO-UHFFFAOYSA-N 346.449 1.499 0 40 EDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnnn1C 7132865 YMAAEBJACYZSLF-VIFPVBQESA-N 332.389 1.066 0 40 EDAB Cc1cc(C)c(CNC(=O)Cn2ncc(=O)c3ccccc32)c(=O)[nH]1 7118663 YJAHCIOGQKTMAD-UHFFFAOYSA-N 338.367 1.018 0 40 EDAB Cc1ccc2c(CCNC(=O)[C@H](C)N3C(=O)CCC3=O)c[nH]c2c1 68126364 VFTUKSFWBUNQTN-LBPRGKRZSA-N 327.384 1.673 0 40 EDAB CCCCN(C(=O)CCSC)c1c(N)n(CCC)c(=O)[nH]c1=O 8036324 CELKKNYQRJJHFI-UHFFFAOYSA-N 342.465 1.415 0 40 EDAB O=C(c1ccc(N2CCCC2)nn1)N1CCC[C@H](n2cccn2)C1 69349446 NVASYDSJDGOUJM-AWEZNQCLSA-N 326.404 1.751 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N[C@H](C)[C@H]3CCCO3)CC2=O)cc1 69421305 UCIQEOZTJUAQCZ-FRFSOERESA-N 346.427 1.727 0 40 EDAB Cc1ccnc2nc(C(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3)nn12 69566774 MTFWROWWPRSTFI-LBPRGKRZSA-N 338.415 1.860 0 40 EDAB CCn1ccnc1CN1CCN([C@H](C)C(=O)NCc2ccco2)CC1 69510828 YGMZNGSOXDJWGL-OAHLLOKOSA-N 345.447 1.319 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](NS(=O)(=O)c3ccccc3)C2)on1 69537165 JYYYDSQEBFNBHD-ZDUSSCGKSA-N 349.412 1.566 0 40 EDAB O=C(C[C@H]1CCCO1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69530885 BMMPXNQNIDIPJR-CYBMUJFWSA-N 342.399 1.416 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2CCS(=O)(=O)c2ccccc2)n1 69534688 ILVYOFOXRPNHEV-INIZCTEOSA-N 348.472 1.833 0 40 EDAB O=C(NCCc1ccco1)c1cccc(S(=O)(=O)NC2CC2)c1 17910191 GPHKODDEVFSCMI-UHFFFAOYSA-N 334.397 1.693 0 40 EDAB CS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 96407473 QINRPFRXZCDCLH-VHSXEESVSA-N 332.372 1.124 0 40 EDAB O=C(O)[C@]1(O)[C@H](c2ccccc2)[C@H](c2ccccc2)Nc2ncnn21 72332387 KYYRQCBFOZVMLT-RVKKMQEKSA-N 336.351 1.958 0 40 EDAB O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1C[C@H]2CCC[C@@H]2C1 97227598 JSMAUZBBFNZLEJ-IAGOWNOFSA-N 348.491 1.372 0 40 EDAB CCN(C(=O)c1ccc(-c2ccccc2)n1C)[C@@H]1CC(=O)NC1=O 76041566 UWAWTHNYEDNFHL-OAHLLOKOSA-N 325.368 1.569 0 40 EDAB NC(=O)c1ccsc1NC(=O)CCN1CCC[C@H](c2cc[nH]n2)C1 95350155 OBKXWZWALLDFPZ-NSHDSACASA-N 347.444 1.778 0 40 EDAB O=C(CN1CCCC[C@H]1C1OCCO1)NCC(=O)c1cccs1 95394567 URBFFHSBLUKMLW-LBPRGKRZSA-N 338.429 1.274 0 40 EDAB CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)CNS(C)(=O)=O 95395727 VQKGTGFUFRZGMM-CYBMUJFWSA-N 346.424 1.285 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)o2)C[C@H]1N1CCOCC1 84736088 WXQTWUFDHLBWSO-GDBMZVCRSA-N 349.431 1.099 0 40 EDAB COCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 77912418 RXXQUEHBJTTZGI-LBPRGKRZSA-N 342.342 1.655 0 40 EDAB CCc1[nH]c(C(=O)NCc2cnc(N(C)C)n2C)c(C)c1C(=O)OC 74094696 LMVBEBWKYPNEJI-UHFFFAOYSA-N 347.419 1.402 0 40 EDAB CCN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3noc(C4CC4)n3)C2)C1=O 95961678 DLLPZTPTKXTWCS-SJCJKPOMSA-N 347.419 1.489 0 40 EDAB COC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(Cl)c(F)c1 89390826 YMPDADHHMJHIHI-JQWIXIFHSA-N 328.727 1.088 0 40 EDAB COc1ccc(Br)cc1CC(=O)OCc1ncnn1C 79110404 RUAUSYVSNVFOGB-UHFFFAOYSA-N 340.177 1.872 0 40 EDAB COC(=O)c1ccc(NCCc2ccc(S(N)(=O)=O)cc2)nc1C 89536995 IQTUZRKXDRUCAR-UHFFFAOYSA-N 349.412 1.479 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)CC1 75131200 TURGJXSJTNPTEU-HNNXBMFYSA-N 345.443 1.342 0 40 EDAB Cc1cnn(C2CN(CC(=O)N3CC(=O)Nc4ccccc43)C2)c1 75132518 KUIGYBRLAQJVHJ-UHFFFAOYSA-N 325.372 1.034 0 40 EDAB CC(C)c1n[nH]c(NC(=O)CCN2C(=O)CC3(CCCC3)C2=O)n1 79485563 GXGQTGJBEUCBSK-UHFFFAOYSA-N 333.392 1.576 0 40 EDAB O=C(NCC1(CO)CC1)[C@@H]1CCCN1c1ncnc2sccc12 89885387 WVWMIOFVKBDLBQ-LBPRGKRZSA-N 332.429 1.549 0 40 EDAB NC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1nnc(-c2ccccc2)s1 75500536 RJFUATFXOXLPOA-QWRGUYRKSA-N 331.401 1.981 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)CCCc1nc(C(C)C)no1)CC2 65591373 HIVPSBOQAYACTE-LBPRGKRZSA-N 332.408 1.547 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)c1ccccc1)Oc1ccc(F)cc1 547899963 KFHRNXPLHSETLO-CQSZACIVSA-N 339.344 1.636 0 40 EDAB Cc1cc(CN2CCn3cc(C(=O)NC4CC4)nc3[C@H]2C)n(C)n1 306135804 PBLNHVBMKGHECK-GFCCVEGCSA-N 328.420 1.394 0 40 EDAB CC(=O)NC1CN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 189960875 MUOXLJQANWXUQM-GOSISDBHSA-N 344.459 1.662 0 40 EDAB Cc1nsc(N2CCCN(c3cc(Cl)nc(N)n3)CC2)n1 78557933 BUPNHPVPZNINOP-UHFFFAOYSA-N 325.829 1.589 0 40 EDAB Cn1nc(C(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)c2c1CCCC2 72172561 CQHIPQGEIVOASV-QGZVFWFLSA-N 332.404 1.404 0 40 EDAB Cc1csc(N2CCN(C(=O)CN(C)c3cnccn3)CC2)n1 30700825 DPUHVVZPURYZED-UHFFFAOYSA-N 332.433 1.027 0 40 EDAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(O)cc2)cc1OC 36354862 ZGERAXVUHIXWFD-UHFFFAOYSA-N 344.367 1.707 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(N)C(=O)O)cc1 218644393 RZYWPJMBWLNCHT-INMHGKMJSA-N 349.383 1.856 0 40 EDAB Cc1nonc1CC(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1N2 72347538 XFMHOPABQPLTAJ-QGZVFWFLSA-N 341.371 1.095 0 40 EDAB Cc1cc(C(=O)N2CCc3ccccc3C2)nc(N2CCOCC2)n1 71195518 RPLVLCIWGUWBOH-UHFFFAOYSA-N 338.411 1.820 0 40 EDAB Cc1ccc(Cc2nnn(C[C@@H](O)CN3C[C@H](C)O[C@H](C)C3)n2)cc1 225709463 NYGYJILUMAUZRS-UXLLHSPISA-N 345.447 1.042 0 40 EDAB Cc1cccc(OCc2cn(CC(=O)Nc3ccn(C)n3)nn2)c1 227167523 HGADWJUFDBMZFD-UHFFFAOYSA-N 326.360 1.538 0 40 EDAB c1cc2c(cc1P(N1CCOCC1)N1CCOCC1)OCCO2 84490100 QAJKGQXVRXRWRH-UHFFFAOYSA-N 338.344 1.059 0 40 EDAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C 223695550 AYAQOQLUGKFODN-HOTGVXAUSA-N 344.440 1.956 0 40 EDAB Cc1csc(NC(=O)[C@@H]2COCC(=O)N2Cc2cccs2)n1 85472597 CRLVZWLPICWGHE-NSHDSACASA-N 337.426 1.879 0 40 EDAB O=C(COCc1ccccc1)NCc1nc(-c2ccc[nH]c2=O)no1 225804426 NVFQHSHLSPZPCM-UHFFFAOYSA-N 340.339 1.258 0 40 EDAB COc1ccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)cc1Cl 41670491 UZBFBYUBGXSPII-UHFFFAOYSA-N 336.731 1.847 0 40 EDAB COc1ccc(CNC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1 49546170 BLIOUKWSPLCEDB-KRWDZBQOSA-N 337.383 1.782 0 40 EDAB CN(C)S(=O)(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 193955839 OGNDFRBTMIDMCW-SNVBAGLBSA-N 333.479 1.620 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)[C@H]2NCCc3ccccc32)CC1 195543376 QTBUAMXDMFFJAL-KRWDZBQOSA-N 329.444 1.637 0 40 EDAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccno1 85467325 YVTBUTVCUFBTQS-CQSZACIVSA-N 331.347 1.777 0 40 EDAB CC(=O)N1CCN(C(=O)COCc2nc3ccccc3s2)CC1 44870525 NKLHPKXPCJAGKX-UHFFFAOYSA-N 333.413 1.504 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cn(-c3ccccc3)cn2)CC1 227154570 XBKIVPDZEOPRFK-UHFFFAOYSA-N 328.372 1.787 0 40 EDAB Cc1nc(C(=O)NCc2cn(C(C)C)nn2)nn1-c1ccc(F)cc1 576536806 BKRMOUFFKLAWFY-UHFFFAOYSA-N 343.366 1.817 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cncn2C1 96206915 QPZLBBSTWYNYKU-GFCCVEGCSA-N 329.356 1.530 0 40 EDAB CCc1nnc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)o1 96491205 PLQIGXKFGXLZTD-QWRGUYRKSA-N 338.433 1.952 0 40 EDAB CO[C@@H](C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 96414026 FUJXHPVEIZRQGL-DGCLKSJQSA-N 330.306 1.654 0 40 EDAB O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1 96042721 RPDNSZOLLXSSKY-ARFHVFGLSA-N 346.431 1.003 0 40 EDAB CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(F)c(C)cc2F)C1 95411713 WRCARHUIBWOQKU-SNVBAGLBSA-N 332.372 1.427 0 40 EDAB CCOC(=O)c1cn(N(C)CO)c2c(F)c(F)c(F)cc2c1=O 141238811 PSLBCIIDXWCGLB-UHFFFAOYSA-N 330.262 1.113 0 40 EDAB CC(C)Cn1cnc(S(=O)(=O)NCC(=O)c2cccs2)c1 97380109 JKZSRDFFTHEMQP-UHFFFAOYSA-N 327.431 1.762 0 40 EDAB O=C(c1cccs1)N1CCc2ncc(Cn3cncn3)n2CC1 96067919 JQZBKTNMXLSUTQ-UHFFFAOYSA-N 328.401 1.283 0 40 EDAB C[C@H](c1ccsc1)N1CCN(C(=O)N[C@H]2CCN(C)C2=O)CC1 97378470 VGUQGOQMUIVCTI-OCCSQVGLSA-N 336.461 1.367 0 40 EDAB Cc1ccc(N2C[C@]3(COCCN(CC4CC4)C3)OCC2=O)s1 96051472 TVOYRTUTXJRKHF-QGZVFWFLSA-N 336.457 1.901 0 40 EDAB COCCN1C(=O)CCC[C@]12CCCN(C(=O)c1cccnc1)C2 96229873 CXHQBFOTVYSWLJ-GOSISDBHSA-N 331.416 1.715 0 40 EDAB CN1CC2(CCN(C(=O)c3ccncn3)CC2)C[C@H]1COCC1CC1 96219275 ZHFWPPFMBDYXEO-INIZCTEOSA-N 344.459 1.830 0 40 EDAB CC(C)n1cc([C@@]2(O)CCCN(S(=O)(=O)CCC3CC3)C2)nn1 583616313 FYTMVKAYGOPQMT-OAHLLOKOSA-N 342.465 1.272 0 40 EDAB O=C(CN1CCC[C@@](O)(c2cnn[nH]2)C1)N1CCCc2ccccc21 583618023 VCWSADRYWOTPLL-SFHVURJKSA-N 341.415 1.068 0 40 EDAB Cc1noc(CNC(=O)N2CCN([C@@H](C)c3ccccn3)CC2)n1 96503168 QDFIMSVIHRCGFG-LBPRGKRZSA-N 330.392 1.361 0 40 EDAB Cn1cnnc1[C@@H]1CCCN1C(=O)NCCc1ccc2c(c1)CCO2 95453728 CWUZDTQJFIMLBJ-HNNXBMFYSA-N 341.415 1.839 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2n[nH]c(C3CC3)n2)n[nH]1 95475420 KMCATKMFCMJJDN-UHFFFAOYSA-N 326.364 1.675 0 40 EDAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(C(=O)NC1CC1)CC2 96261218 AFZBIBQVJXHAQR-AWEZNQCLSA-N 331.420 1.072 0 40 EDAB Cc1ncsc1CN1Cc2cccn2[C@@H](COCC(=O)N(C)C)C1 247949615 BTOWRFKFLFGQPL-OAHLLOKOSA-N 348.472 1.915 0 40 EDAB O=C(Nc1cc(Cl)ccc1O)[C@H]1C[C@@H](O)CN1c1ccncn1 585122259 UDMPGAYPVHJEJL-ZYHUDNBSSA-N 334.763 1.414 0 40 EDAB Cc1cc(C[C@@H]2COCCN(C(=O)Cc3csc(C)n3)C2)ncn1 257329577 XKNYXDQSZDXCNI-AWEZNQCLSA-N 346.456 1.810 0 40 EDAB CCOc1ccccc1CN1CCC[C@@]1(C(N)=O)c1cnccn1 257312707 UPFJVSWZBCJECI-SFHVURJKSA-N 326.400 1.852 0 40 EDAB CCn1nc(C(=O)N2CCOC[C@H]2CCc2nccnc2C)cc1C 257264495 LUQSQOGKCLQJOU-OAHLLOKOSA-N 343.431 1.784 0 40 EDAB CCCS(=O)(=O)N1C[C@@H](O)[C@H](N(C)Cc2ccc(F)cc2)C1 257329941 XMCUFGCOZWGQBG-HUUCEWRRSA-N 330.425 1.042 0 40 EDAB CNc1ncccc1CN1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257231680 GHVDBOUSKCFFQA-GFCCVEGCSA-N 349.460 1.630 0 40 EDAB Cc1cc(C)n(CCCC(=O)N2CC[C@](O)(CN3CCCC3)C2)n1 257293343 QPCIFVGFXINNPY-SFHVURJKSA-N 334.464 1.339 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)c1cccnn1 257306616 SVARKECFEFPSAU-OAHLLOKOSA-N 340.387 1.188 0 40 EDAB CCn1cc(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 257218379 DCXSEUBEENJUIJ-BRWVUGGUSA-N 329.400 1.994 0 40 EDAB CC[C@@H](NC(=O)CN1CCN(CCO)CC1)c1ccc(Cl)cc1 42287240 BABLFMXPYZKLOX-MRXNPFEDSA-N 339.867 1.517 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CCCN2Cc2cnn(C)c2C)n1 257270111 MSVDPFHBZMPQOG-MRXNPFEDSA-N 328.420 1.492 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)c2noc3c2CCCC3)CCO1 257275947 NRQROIURMFPHOM-LBPRGKRZSA-N 329.360 1.139 0 40 EDAB O=C(CC1(O)CCCCC1)NC[C@]1(O)CCCN(c2ncccn2)C1 257270885 MWAIAYXUDWYJCK-GOSISDBHSA-N 348.447 1.009 0 40 EDAB Cc1oc(C(=O)NC(C)(C)[C@@H](O)C(F)(F)F)cc1S(C)(=O)=O 1615550043 UVDUBRVLDSRFTO-SNVBAGLBSA-N 343.323 1.423 0 40 EDAB Cc1cnc(NCC[C@H]2CCOC23CN(C(=O)c2ccco2)C3)nc1 585102665 FNCANJYTJDROJT-AWEZNQCLSA-N 342.399 2.111 0 40 EDAB CO[C@@]1(COc2ccccc2)COCCN(Cc2cncn2C)C1 585268858 BRFSRYREOVTBOB-GOSISDBHSA-N 331.416 1.717 0 40 EDAB Cn1ccc(CCNC(=O)N2CCO[C@@H](c3ccccc3F)C2)n1 680630649 SUTPUZCUMVMUFB-MRXNPFEDSA-N 332.379 1.885 0 40 EDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@H]1CCc1ccccc1 53182142 MMPQMEIQQXNZHD-INIZCTEOSA-N 338.473 1.374 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1 58095258 PDECBHJAOBKXRU-AWEZNQCLSA-N 335.429 1.712 0 40 EDAB CC(C)(C)c1ncc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cn1 58225249 CZMBJDKJAZKKQX-CHWSQXEVSA-N 344.415 1.888 0 40 EDAB CCNC(=O)C1(NC(=O)c2ccc(-n3ccnc3)nn2)CCCCC1 69418302 LDUJOOOPVGCATG-UHFFFAOYSA-N 342.403 1.231 0 40 EDAB Cc1nc(CS(=O)(=O)N(C)Cc2ccn(-c3ccccc3)n2)no1 1561195520 RRLBFMILOIEJCE-UHFFFAOYSA-N 347.400 1.526 0 40 EDAB COc1ccc([C@H](O)CNC(=O)c2ccc3c(c2)OCO3)cc1OC 170213280 WYVIDYFNDPWBJS-CYBMUJFWSA-N 345.351 1.896 0 40 EDAB Cc1cnccc1CCNCC1(S(=O)(=O)NC(C)(C)C)CC1 585117605 NBMYDCXXJIPGER-UHFFFAOYSA-N 325.478 1.773 0 40 EDAB O=S1(=O)CC[C@@H](NCc2cc(Br)cc3c2OCC3)C1 96009285 RNEMDFSNCVGWQH-GFCCVEGCSA-N 346.246 1.661 0 40 EDAB COC(=O)[C@]1(O)CC(C)=NN1C(=O)c1ccc(Br)cc1 5416531 ZZZZGVBJQRJQTI-CYBMUJFWSA-N 341.161 1.533 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CN1CCCCCC1=O 11875384 UIADUMPBRVUXFH-CQSZACIVSA-N 344.411 1.910 0 40 EDAB CS(=O)(=O)N1CC=C[C@H]1C(=O)NCCCc1ccc(F)cc1 12193214 VLAUIHTZINRSAY-AWEZNQCLSA-N 326.393 1.075 0 40 EDAB C[C@H](OC(=O)c1ccc(F)c(F)c1)C(=O)Nc1ncnc2nc[nH]c12 12979212 TZTFZCAHANDNEH-ZETCQYMHSA-N 347.281 1.815 0 40 EDAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 13073686 IAYBSSFCDQMHEO-NXEZZACHSA-N 329.374 1.191 0 40 EDAB COc1nc(COC(=O)NC(C)C)c(COC(=O)NC(C)C)n1C 13212099 NLDMBZXRZXZSFO-UHFFFAOYSA-N 342.396 1.698 0 40 EDAB COc1cccc(OC)c1OC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 13361629 SVHIBLHKENVHQS-MELADBBJSA-N 325.405 1.553 0 40 EDAB CCCc1nnc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)s1 18840407 XHEOMLUVWSVARF-UHFFFAOYSA-N 329.385 1.908 0 40 EDAB CN(C)C1(CNC(=O)CN2CCC[C@H]2Cn2cccn2)CCCCC1 19659242 DWNZJOLQYZIZRC-KRWDZBQOSA-N 347.507 1.728 0 40 EDAB COc1ccc(-c2noc([C@H](N)CCS(C)(=O)=O)n2)cc1OC 169676235 QAUWREFPRWDWJA-SNVBAGLBSA-N 341.389 1.188 0 40 EDAB O=C(Cn1cccc1)N1CCCc2cnc(N3CCOCC3)nc21 675008412 XAXPWOWBDKCMKV-UHFFFAOYSA-N 327.388 1.094 0 40 EDAB CC(=O)O[C@@H]1C[C@H](C(C)(C)O)O[C@@H]2CC[C@](C)(O)[C@H](C(=O)O)[C@@]12C 252516247 QRCCFDIDLFCYHO-SDUSXYTHSA-N 344.404 1.098 0 40 EDAB biogenic,in-vitro CCCn1nc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc2c1=O 2632792 YRVNQESUOMRZIC-UHFFFAOYSA-N 342.399 1.144 0 40 EDAB CS(=O)(=O)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888864276 FLYJJFYTYRJLFK-HUUCEWRRSA-N 344.440 1.471 0 40 EDAB Fc1cncnc1N1CCN(c2nccc(N3CCCC3)n2)CC1 1889077997 BVYRFMBPHDKQID-UHFFFAOYSA-N 329.383 1.333 0 40 EDAB CNC(=O)CN1CCC(NC(=O)CCCOc2cccc(C)c2)CC1 25228565 WGUKCGLLCHEJPL-UHFFFAOYSA-N 347.459 1.481 0 40 EDAB O=S(=O)(N[C@@H]1CO[C@]2(CCCNC2)C1)c1ccc(F)c(F)c1 2056226001 HOTQATIEFKEDEE-IINYFYTJSA-N 332.372 1.154 0 40 EDAB COc1cc(N2CCN(c3ncnc4c3ccn4C)CC2=O)ccn1 2087018094 CJRFHIJLONVBSB-UHFFFAOYSA-N 338.371 1.225 0 40 EDAB O=C(N1CCC2(CC1)CN(Cc1cccnc1)CCO2)C1(F)CC1 1565553157 MIXFBLVZBRLZTQ-UHFFFAOYSA-N 333.407 1.777 0 40 EDAB O=C(c1cc[nH]c1)N1CCOC[C@H]1c1nccc(NC2CCC2)n1 1565543966 MJGZOWXQQRLLJD-AWEZNQCLSA-N 327.388 1.983 0 40 EDAB CN(C)CCN1CC[C@@]2(CCCN(C(=O)C3(F)CCC3)C2)C1=O 1565542389 UKQGICYHDMZGSA-MRXNPFEDSA-N 325.428 1.281 0 40 EDAB CN1CC2(CCN(C(=O)c3cn(C)nc3C(F)(F)F)CC2)CC1=O 1565546386 ZSPNYJVEAYUWEK-UHFFFAOYSA-N 344.337 1.523 0 40 EDAB COc1ccc(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)cc1 567906 WKDYBDXPUMPLPB-UHFFFAOYSA-N 345.380 1.906 0 40 EDAB CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 5152841 RPFJLFNNZMQWST-HNNXBMFYSA-N 327.384 1.636 0 40 EDAB Cn1cccc1[C@@H](CNC(=O)NCc1ccccc1)N1CCOCC1 38676013 WRMZGMWOUYFFBH-GOSISDBHSA-N 342.443 1.898 0 40 EDAB CCCc1nnsc1C(=O)NCCCc1cnc2ncnn2c1 225641989 CNWDMBDWFVZCTJ-UHFFFAOYSA-N 331.405 1.291 0 40 EDAB COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](O)c1ccoc1 75171875 PZDQXBQYTIPALG-CYBMUJFWSA-N 325.386 1.917 0 40 EDAB CN(C)[C@@H]1C[C@H](C(=O)N2CCCC2)[C@@H](O)[C@H]1c1cnc(C2CC2)[nH]1 2332241797 JEXFQZUOSAJNHB-DRPJVOAASA-N 332.448 1.304 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)C[C@@H](C)O1 40047538 MNOXCTXTCHVADV-GHMZBOCLSA-N 340.807 1.908 0 40 EDAB Cc1cccc(N2C[C@@H](C(=O)N3CCC(C(=O)O)CC3)CC2=O)c1C 20200780 MVHUMHIFXOULAK-HNNXBMFYSA-N 344.411 1.980 0 40 EDAB CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 31135117 NQZLZXFWILRDMS-SNVBAGLBSA-N 337.401 1.008 0 40 EDAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1nnc2n1CCC2 40480495 AJQMUKDRMDQCHM-UHFFFAOYSA-N 336.827 1.969 0 40 EDAB CC(C)C(=O)NC1CCN(Cc2nnnn2Cc2ccccc2)CC1 40540188 LQEYPCYIRPVNQD-UHFFFAOYSA-N 342.447 1.458 0 40 EDAB CCOc1ncccc1NC(=O)N1CCN(c2cnccn2)CC1 40540914 IMFDIQIMCDHYDO-UHFFFAOYSA-N 328.376 1.624 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NCCCN1CCc2ccccc2C1 40509355 BPOKHBBDGJQHAY-SFHVURJKSA-N 329.444 1.562 0 40 EDAB COc1ncccc1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 31936622 UWOWIKHQTYKKEG-INIZCTEOSA-N 337.445 1.028 0 40 EDAB CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1nnc(C)o1 245612 YWYKHKXULPPWLE-UHFFFAOYSA-N 339.315 1.784 0 40 EDAB CC(C)CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 20737272 UCBMIZRHYUZJJL-CQSZACIVSA-N 331.416 1.318 0 40 EDAB COc1ccc([C@H]2CC(O)=c3cc4c(cc3=N2)OCO4)cc1OC 101413367 TUAYNNDTIYVUSL-GFCCVEGCSA-N 327.336 1.863 0 40 EDAB Cc1ccc(Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)cc1 41307 UBOMXZZVAKZXEJ-UHFFFAOYSA-N 349.188 1.543 0 40 EDAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc[nH]c1=O 18047321 RYLKJTURQVTFIL-MRXNPFEDSA-N 345.374 1.317 0 40 EDAB O[C@H](CN1CCN(c2ccc3nncn3n2)CC1)c1ccccc1F 69814752 BUTDPOYEBHKDEF-OAHLLOKOSA-N 342.378 1.119 0 40 EDAB COc1ccc([C@H](CNC(=S)NC2CC2)N2CCOCC2)cc1 21194181 XCGMUHYLBYOMFH-INIZCTEOSA-N 335.473 1.695 0 40 EDAB COCCN1CCN(C[C@H](O)COc2c(C)ccc(C)c2C)CC1 69925524 MUFZHCFJQSZJBJ-SFHVURJKSA-N 336.476 1.616 0 40 EDAB CCNC(=O)NC(=O)COC(=O)Cc1ccc(Br)cc1 3449718 JONZVTNHGFFVEW-UHFFFAOYSA-N 343.177 1.381 0 40 EDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CCN(C(N)=O)CC1 52527691 AQOJHVLABPFIIP-UHFFFAOYSA-N 341.415 1.621 0 40 EDAB Cc1ccc(SCCNC(=O)CC[C@@H]2NC(=O)NC2=O)cc1C 41299735 GUDLHTQCOCCLCA-ZDUSSCGKSA-N 335.429 1.500 0 40 EDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(F)c1 4940634 MYUKDUNOHVKDMK-UHFFFAOYSA-N 348.355 1.999 0 40 EDAB O=C1C[C@H](c2ccc(OCC(=O)N3CCCC3)cc2)n2ncnc2N1 6322327 UHTWNCIVYZYYJV-CQSZACIVSA-N 341.371 1.211 0 40 EDAB C[C@H]1C[C@@H](C)CN2c3ccccc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@H]12 103406092 GCQXKQZJQISPAA-NCPSFGDWSA-N 341.411 1.788 0 40 EDAB CCc1noc(CN2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 83830508 TXHHHFMLNDLXMQ-HZPDHXFCSA-N 328.416 1.717 0 40 EDAB C[C@H](NC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O)c1ccc(F)c(F)c1 97050474 RHQBSPXFOAIQSL-QIBSRJKCSA-N 326.343 1.418 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)NCc2cccnc2OC)cc1 41448528 PNISWCFWGFDTRG-HNNXBMFYSA-N 331.372 1.632 0 40 EDAB CCN(CC)[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccsc1 41441408 SCGRNSTYRMVAQA-ZIAGYGMSSA-N 344.502 1.682 0 40 EDAB COc1ccc(N[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 58271211 OOYSQFTZQMJUQY-WCQYABFASA-N 326.418 1.141 0 40 EDAB Cc1nc(NC(=O)CN2CCC(N3CCNC3=O)CC2)sc1C 53283607 VMCAEKXLJOWQHV-UHFFFAOYSA-N 337.449 1.188 0 40 EDAB CC1CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 22240729 PANGGHZQPSXYSP-UHFFFAOYSA-N 338.473 1.939 0 40 EDAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 9338403 VLXPKIRVMUYPCL-UHFFFAOYSA-N 347.352 1.880 0 40 EDAB C[C@@H]1CN(C(=O)C(C)(C)n2cc(Cl)cn2)C[C@@H]1N1CCOCC1 76056808 ZSFZXUDTNIRSDL-OCCSQVGLSA-N 340.855 1.451 0 40 EDAB CN(C)C(=O)Cc1nc(CN2CCC[C@H](c3ccn[nH]3)C2)cs1 72274135 AIBFKCGFBGGJRB-LBPRGKRZSA-N 333.461 1.877 0 40 EDAB O=C(N[C@H]1CCCN(c2ccccn2)C1)N1CCCC[C@H]1CCO 110707941 AWLCJVZOGHONMJ-HOTGVXAUSA-N 332.448 1.997 0 40 EDAB CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(C(=O)c3cccc(F)c3)CC[C@@H]21 107202997 BEUUNQOEUDHZQI-NJAFHUGGSA-N 347.434 1.839 0 40 EDAB O=C(NCCCn1ccnc1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 42897232 KJWHPQDNNLETFN-HZPDHXFCSA-N 336.436 1.643 0 40 EDAB C[C@H](CCc1ccc(O)cc1)NC(=O)N[C@H]1CCS(=O)(=O)C1 42868836 VLLCLOGCPHXBJI-YPMHNXCESA-N 326.418 1.200 0 40 EDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)C1=NO[C@H](c2ccccc2)C1 71903684 NVFMPPTTYNIDDY-WFASDCNBSA-N 338.429 1.786 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)COCc1ccccc1F 24209824 RUKFTRNJRMQREJ-CYBMUJFWSA-N 336.363 1.568 0 40 EDAB Cc1ccc(CN(C)S(=O)(=O)c2ccccc2S(N)(=O)=O)o1 71921655 ACKYTTLPHPUTDU-UHFFFAOYSA-N 344.414 1.056 0 40 EDAB O=C(NS(=O)(=O)c1c(Cl)nc2ccccn12)c1cocn1 105764913 MYFQKJZAIVEOEB-UHFFFAOYSA-N 326.721 1.094 0 40 EDAB C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C[C@@H](C)O1 24479930 KCMCQAURDXFTEL-XQQFMLRXSA-N 346.383 1.404 0 40 EDAB Cc1ccc(N2CCC[C@H](N(C)Cc3nnnn3C3CC3)C2)nn1 72276685 GODDCGKEPBHEOU-AWEZNQCLSA-N 328.424 1.207 0 40 EDAB C[C@H](NCC(=O)NC[C@H]1COc2ccccc2O1)[C@H](C)n1cccn1 107321082 VCIJHKJLUTYXHD-KKUMJFAQSA-N 344.415 1.378 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCc1ccccc1F 25928000 XNORRRAHWRTXBJ-CQSZACIVSA-N 328.409 1.299 0 40 EDAB CC(C)n1cc([C@H](C)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cn1 107524848 SAMQCZVFIANXJW-XYJFISCASA-N 336.480 1.852 0 40 EDAB CN(CC(=O)N1CCCN(c2nccs2)CC1)[C@H]1CCSC1 110698291 NZFLNKFJCNCZMN-ZDUSSCGKSA-N 340.518 1.619 0 40 EDAB O=C1COc2ccc(S(=O)(=O)NC[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2N1 102451748 VWYBMNCJNPYZKN-UTUOFQBUSA-N 336.413 1.732 0 40 EDAB C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)c2cccn2C)C1=O 27293067 YKWWXWRRHDZRDO-LBPRGKRZSA-N 339.351 1.760 0 40 EDAB CCn1cc(C(=O)N2CCC(C(N)=O)CC2)c(=O)c2cc(C)ccc21 22234682 IUCIPUYOANPXOS-UHFFFAOYSA-N 341.411 1.667 0 40 EDAB O=C(NCCCn1cncn1)NC[C@H](c1ccco1)N1CCCC1 48278304 TZLQUTUTZPBMAP-CQSZACIVSA-N 332.408 1.398 0 40 EDAB COC(=O)C1CCN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 12776315 ZKJCOKRVMHUTGW-SNVBAGLBSA-N 346.387 1.068 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCNC(=O)CC1CCCCC1 58289922 YDLCDSZOBUVIAE-UHFFFAOYSA-N 343.449 1.656 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)NCc2cccnc2N(C)C)C1 44951648 QBXZPSLAFYFEET-MRXNPFEDSA-N 349.479 1.304 0 40 EDAB COC(=O)CN(C)C(=O)c1ccc(SCc2nc(C)no2)cc1 44916101 OTJUGDVYDYOOQV-UHFFFAOYSA-N 335.385 1.915 0 40 EDAB Cc1cc(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)no1 58343676 ADTGQLKEMAJAAS-NHYWBVRUSA-N 326.418 1.798 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CCN(c2ccncc2)CC1 28406615 BYZGQMLNPYXZPZ-KRWDZBQOSA-N 338.411 1.917 0 40 EDAB Cc1ccccc1[C@@H](C)NC(=O)CS(=O)(=O)C[C@@H]1CCCO1 45359898 HCQWSHYBMHNVRO-KGLIPLIRSA-N 325.430 1.766 0 40 EDAB Cc1ccc(-c2csc3nc(SCC(N)=O)n(N)c(=O)c23)cc1 36646115 CHPAMUVNBAUDMF-UHFFFAOYSA-N 346.437 1.725 0 40 EDAB Cc1nc2sc3c(c2c2nc(C(=O)NC[C@@H](C)O)nn12)CCC3 2443635 PLRCATWBUZZUEC-SSDOTTSWSA-N 331.401 1.247 0 40 EDAB O=C1NCCCC[C@@H]1Sc1n[nH]c(=O)n1CCc1ccccc1 28936404 ZHODZPZPUBVIFO-ZDUSSCGKSA-N 332.429 1.575 0 40 EDAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1=COCCO1 12822449 SMBCLICDRCBRTF-UHFFFAOYSA-N 330.262 1.389 0 40 EDAB C[C@@H](NC(=O)Cn1nnc2ccccc21)c1nnc2n1CCCCC2 45897357 AGOFFOWGHTZBTO-GFCCVEGCSA-N 339.403 1.627 0 40 EDAB Cc1cc(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 6087002 IHWZQYJUFCTVMC-LLVKDONJSA-N 331.821 1.673 0 40 EDAB COc1cc(CNC(=O)c2cc(C(C)C)[nH]n2)ccc1OCC(N)=O 65467390 AJZXFBFXYZPWQN-UHFFFAOYSA-N 346.387 1.336 0 40 EDAB COCCS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 65592405 WKEAZCLMFCFIHW-CHWSQXEVSA-N 341.429 1.356 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NCCn3cccn3)CC2=O)cc1 65575078 CTELQQPTDPDKTO-ZDUSSCGKSA-N 328.372 1.061 0 40 EDAB CSCC[C@H](NC(=O)c1ccccc1Br)C(N)=O 14112844 PRTOKXWYZGUBLR-JTQLQIEISA-N 331.235 1.786 0 40 EDAB COC(=O)CN1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 65605254 RECHMORWLLCISL-UHFFFAOYSA-N 334.416 1.335 0 40 EDAB Cc1cc(F)ccc1NC(=O)C(=O)NCc1cn2c(n1)CCCC2 65623429 DZUIQMFRGMYIAV-UHFFFAOYSA-N 330.363 1.922 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCNC(=O)OC(C)(C)C)C1 65795661 HFISSACNUCGBFK-VXGBXAGGSA-N 335.470 1.323 0 40 EDAB Cc1c(C(=O)c2ccccc2Br)c(=O)n(C)c(=O)n1C 4741211 RQKINHRSSJIZAJ-UHFFFAOYSA-N 337.173 1.386 0 40 EDAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 4778312 QZEVABWEGVTYSP-VIFPVBQESA-N 334.825 1.542 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)[C@@H]2C)cc1 4999042 JTHPHXAFQICALI-NSHDSACASA-N 327.406 1.029 0 40 EDAB O=C(O[C@H]1CCOC1=O)C1CCN(C(=O)Nc2ccccc2)CC1 5970895 FOMXGCJAKYLHLY-AWEZNQCLSA-N 332.356 1.789 0 40 EDAB O=C1NCCN1C1CCN(CCN2CCCc3ccccc32)CC1 90518276 CBXRISDFEZIZPY-UHFFFAOYSA-N 328.460 1.929 0 40 EDAB COC(=O)c1cccc(OC[C@@H](O)CNCCCOC(C)C)c1 7718627 JJKUPPLPPLOHSN-HNNXBMFYSA-N 325.405 1.618 0 40 EDAB C[C@@H](NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccco1 7801239 DORVVUMJQZRIDU-LLVKDONJSA-N 334.376 1.216 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)Oc1ccccc1 409002130 MGMSKYGWUOXNGK-BPLDGKMQSA-N 347.415 1.714 0 40 EDAB CCOC(=O)COc1ccc([C@H]2NC[C@H](C(=O)O)S2)cc1OC 408978540 MRJBFSGIEUBUQY-OCCSQVGLSA-N 341.385 1.425 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 8270527 QCOFYEOLOMAGRL-DNVCBOLYSA-N 341.411 1.901 0 40 EDAB C[C@H](NC(=O)CC1CCCC1)C(=O)Nc1ccc(-n2cncn2)nc1 69442310 CJSKWURQMRFURK-LBPRGKRZSA-N 342.403 1.686 0 40 EDAB COC(=O)c1ccc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)cc1 8428025 IXCHXCGKGRMFHR-UHFFFAOYSA-N 333.344 1.132 0 40 EDAB O=C(NC1CCC(C(=O)N2CCSCC2)CC1)N1CCOCC1 69531642 AYHYUYBIXZFHLW-UHFFFAOYSA-N 341.477 1.162 0 40 EDAB CN(CCN(C)C(=O)c1cncc(F)c1)C(=O)c1cncc(F)c1 96468088 WLYGLYAHWUUMHL-UHFFFAOYSA-N 334.326 1.599 0 40 EDAB CN(C)CC1CCN(CCOc2cccc(S(C)(=O)=O)c2)CC1 96414866 YFRYRLCFJVXJJB-UHFFFAOYSA-N 340.489 1.743 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)CC[C@H]3CCCO3)CC2)n1 69625611 GCTZCTQSJUGDBN-OAHLLOKOSA-N 348.447 1.792 0 40 EDAB COC(=O)N[C@H](C(=O)NCc1ccnc(-n2ccnc2C)c1)C(C)C 69653506 RSIVPYOEUVBYFD-HNNXBMFYSA-N 345.403 1.573 0 40 EDAB CC(C)c1nc(NC(=O)CCn2ncc(=O)c3ccccc32)n(C)n1 69707024 NAOHZKKUYFIAIC-UHFFFAOYSA-N 340.387 1.677 0 40 EDAB CCc1nnc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)o1 69770339 AUBHFGBHZWENLE-HNNXBMFYSA-N 346.431 1.190 0 40 EDAB Nc1nc(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n[nH]1 8692938 ZYVXDUOVOJLWPZ-UHFFFAOYSA-N 334.430 1.856 0 40 EDAB Cc1ccc(NC2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)nn1 71863606 JUMMJVPIXBCTMV-UHFFFAOYSA-N 345.428 1.662 0 40 EDAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCC(=O)N1CCOCC1 71890263 KUXLQUKLAXWOHN-AWEZNQCLSA-N 341.452 1.177 0 40 EDAB COc1ccc(-c2nc(CCNC(=O)Cn3cccn3)co2)cc1 71853807 XIJKCLPDKHSRJB-UHFFFAOYSA-N 326.356 1.906 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1CNCCNS(C)(=O)=O 97160160 BMKRMFVYXXTCHY-UHFFFAOYSA-N 336.461 1.187 0 40 EDAB CCn1c(CN2CCc3nn(C)c(=O)cc3C2)nc2c(F)cccc21 72302341 WCCGKAHOOCGRRU-UHFFFAOYSA-N 341.390 1.847 0 40 EDAB Cc1cccc(OCCNC(=O)CN2CCn3c(nc(C)c3C)C2)c1 97201314 CYQFOPNKVQAINO-UHFFFAOYSA-N 342.443 1.819 0 40 EDAB Fc1cccc(OCCN2CCO[C@@H](CNc3cccnn3)C2)c1 78894103 HOSIJHZFXGJFOZ-INIZCTEOSA-N 332.379 1.807 0 40 EDAB CC(C)N1C[C@H](C)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 78899186 PEAZQXDVQKPVOC-JSGCOSHPSA-N 340.445 1.465 0 40 EDAB Cc1cc(=O)c(OCC(=O)N2CCO[C@H](c3ccccc3)C2)co1 72401418 ZUHSGBGNPKRJTP-INIZCTEOSA-N 329.352 1.927 0 40 EDAB Cc1ccc(CC(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)cn1 78901294 RCFPNLDWGLTVKP-CYBMUJFWSA-N 327.388 1.161 0 40 EDAB O=C(NCCCO)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 97367545 YQMBYWLNRZKNSH-GFCCVEGCSA-N 342.342 1.391 0 40 EDAB CNC(=O)CC1CCN(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)CC1 72525147 RVUNQODAEMAGIQ-JKSUJKDBSA-N 347.463 1.925 0 40 EDAB Cc1nccn1C[C@H](C)CNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 78923479 IOFVDIWXEXMADF-OCCSQVGLSA-N 335.452 1.526 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)C[C@H]1N1CCOCC1 84735633 AOEPSLNYJFOITQ-IAOVAPTHSA-N 348.491 1.710 0 40 EDAB CC(=O)Nc1cccc(C(=O)N(CCCN(C)C)CCCN(C)C)c1 84796863 JDGGYHOAUDNCGW-UHFFFAOYSA-N 348.491 1.991 0 40 EDAB C[C@H]1Cc2cc(S(=O)(=O)NC[C@H](N)c3ccccc3)ccc2O1 95432051 SNFRFUZZQPSKED-LRDDRELGSA-N 332.425 1.988 0 40 EDAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)Cc1c(F)cccc1F)C2 95452349 OMCZIYBGISUNDQ-NSHDSACASA-N 341.383 1.904 0 40 EDAB C[C@H](CNC(=O)N1CCCC[C@@H]1CN1CCOCC1)Cn1cccn1 73815072 WENZKLHJGLKIEA-IAGOWNOFSA-N 349.479 1.416 0 40 EDAB Cc1nnc2ccc(N3CCN(CCSCC(C)C)CC3)nn12 95976136 DGSWRLBXZZGHNU-UHFFFAOYSA-N 334.493 1.944 0 40 EDAB CC(C)[C@H](C)N(C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 95949101 WGUVTRGBOKJVHQ-GOEBONIOSA-N 344.521 1.921 0 40 EDAB Cc1cnc2cc(C(=O)N3CCC[C@@H]3CN3CCOCC3)ccn12 517757424 QSDRXLRXXGAHOW-MRXNPFEDSA-N 328.416 1.580 0 40 EDAB Cc1noc(CCCNC(=O)CC2(n3cccc3)CCOCC2)n1 524733168 BHPJYECLJDXFAY-UHFFFAOYSA-N 332.404 1.824 0 40 EDAB CCOC(=O)C1=C(CN2C[C@H](C)O[C@@H](C)C2)NC(=O)N[C@@H]1CC 32642303 LDBDWMDKBYEMAL-SDDRHHMPSA-N 325.409 1.004 0 40 EDAB CC(C)(C)OC(=O)N[C@]1(CN)C[C@@H]1S(=O)(=O)c1ccccc1 217978037 KIAYRNFCCBEVHG-WFASDCNBSA-N 326.418 1.455 0 40 EDAB O=C([C@@H]1CCCCN1C(=O)c1c(O)cccc1F)N1CCOCC1 123271488 MYGVKPNNBKFBGP-ZDUSSCGKSA-N 336.363 1.385 0 40 EDAB C[C@H]1CN=C(N2CCN(Cc3nc(-c4ccccn4)no3)CC2)S1 79497073 NGOZWEZENPPCTL-LBPRGKRZSA-N 344.444 1.741 0 40 EDAB COC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 70655705 QDFGOEWXAMHCGF-CYBMUJFWSA-N 334.294 1.158 0 40 EDAB Cc1cnc2cc(C(=O)N3CC[C@H](CN4CCOCC4)C3)ccn12 565607300 HHUVDYGQSNLNBF-OAHLLOKOSA-N 328.416 1.437 0 40 EDAB COCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1 217444358 ZLLDBZQQTHUBMX-UHFFFAOYSA-N 342.417 1.664 0 40 EDAB C[C@@H](CNC(=O)C1=NN(C)C(=O)CC1)CN(C)C(=O)OC(C)(C)C 78882001 QOKQCUGWFKAXIG-NSHDSACASA-N 340.424 1.214 0 40 EDAB COc1ccc(CN2C[C@H]3CN(C4CCOCC4)CCN3C2=O)cc1 77266724 OWCXYVZGBQBWMH-QGZVFWFLSA-N 345.443 1.796 0 40 EDAB biogenic,in-vitro CCOc1ccccc1C(=O)NCCCc1cnc2ncnn2c1 225641775 BYHPWLJTGPIYIN-UHFFFAOYSA-N 325.372 1.886 0 40 EDAB Nc1nnc(SCCCN2C(=O)c3ccccc3C2=O)n1C1CC1 46094041 ITISVQKUMNYWSF-UHFFFAOYSA-N 343.412 1.974 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(CC)s1 49590276 UODVVEXVKQCDJX-SECBINFHSA-N 332.451 1.243 0 40 EDAB Cc1cn2nc(N[C@@H]3CCN(C(=O)c4cc(Cl)c[nH]4)C3)ccc2n1 569834192 CFODKFFZLNTMQD-GFCCVEGCSA-N 344.806 2.346 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)NCc2cccnc2C)[C@@H]1n1cccn1 527972767 LUQXLOSHXLCGSC-XHSDSOJGSA-N 329.404 1.804 0 40 EDAB CCn1ncc(CNC(=O)N[C@H]2CCC[C@H](N3CCCC3=O)C2)n1 528043555 PONGJUWIFLJFBU-JSGCOSHPSA-N 334.424 1.031 0 40 EDAB COc1ccc(NC(=O)[C@H]2CSc3nccc(=O)n3C2)c(OC)c1 85473984 HBKZZGBPSGGTJT-SNVBAGLBSA-N 347.396 1.621 0 40 EDAB Cc1ccc(S(=O)(=O)NC2CN(Cc3cn(C)nc3C)C2)cc1 572962361 UCQXURBPAOGERE-UHFFFAOYSA-N 334.445 1.200 0 40 EDAB C[C@@H](O)[C@@H]1CCCN(c2cc(N3CCC[C@@H]([C@@H](C)O)C3)ncn2)C1 195567146 JZKYHGKPTKFMAC-KLHDSHLOSA-N 334.464 1.671 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@H](c2cccnc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101338 QKICAXGIFLFMLC-HACGYAERSA-N 331.372 1.517 0 40 EDAB CCN1C[C@]2(CC1=O)CN(Cc1ccoc1)CCN(C(=O)C(C)C)C2 96036167 KGLHTEHJXSIECH-IBGZPJMESA-N 347.459 1.818 0 40 EDAB O=C(Cc1ccco1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 96108797 OMGANURNNKEJKR-VQIMIIECSA-N 349.427 1.740 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C[C@@H]2C(=O)O)cc1C 96069092 UPDZXDVWYBPGFG-IAGOWNOFSA-N 346.427 1.693 0 40 EDAB O=C(c1cocn1)N1CCC2(CC1)C[C@H](Oc1ccccn1)CO2 96107019 REXGXWCGZVWGJW-ZDUSSCGKSA-N 329.356 1.912 0 40 EDAB Cc1ncsc1CN1CC[C@@]2(C[C@H](NC(=O)N(C)C)CCO2)C1 96206046 OCUBSJIJNIPBIP-CZUORRHYSA-N 338.477 1.846 0 40 EDAB CC(C)c1ccc(-n2cc(O)c(C(=O)NCc3nncn3C)n2)cc1 96436022 FSTJLPSRMNGKQY-UHFFFAOYSA-N 340.387 1.760 0 40 EDAB Cc1oncc1C(=O)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 96040950 VMTXJRDPLSYGHB-IKGGRYGDSA-N 343.383 1.967 0 40 EDAB Cn1cc(CN2CC[C@@]3(CCCN(C(=O)c4cccnc4)C3)C2)cn1 96047040 ZUKZZQQZARPHGG-IBGZPJMESA-N 339.443 1.943 0 40 EDAB O=C(NCCc1cccnc1)NCC[S@@](=O)Cc1ccccc1 96408747 QLNZUUZMJBQMLI-QHCPKHFHSA-N 331.441 1.872 0 40 EDAB O=C(N1CCC[C@](O)(c2cnn[nH]2)C1)C1(Cc2ccccc2F)CC1 583618958 MXZUQXARYWYVCG-GOSISDBHSA-N 344.390 1.777 0 40 EDAB CN(C1Cc2ccccc2C1)S(=O)(=O)c1cccnc1C(=O)O 581605580 MMEMLUTZFXSTNA-UHFFFAOYSA-N 332.381 1.568 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CN(C(=O)NC3CCCC3)C[C@H]1O2 96253375 ZHNLSOISQREYSD-OWCLPIDISA-N 344.415 1.762 0 40 EDAB CNS(=O)(=O)[C@@H]1CCCN(c2ncc(Br)cc2C)C1 95412049 ZHGDXSKJRDHDIZ-LLVKDONJSA-N 348.266 1.671 0 40 EDAB Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)OCC(=O)N3)c[nH]1 524735575 LEZHNTMJQFATBF-UHFFFAOYSA-N 329.312 1.032 0 40 EDAB O=S(=O)(NC[C@@H]1CO[C@@H]2CN(CC3CC3)C[C@@H]21)c1ccccc1 245482586 RVUDWODJNVETRS-DJIMGWMZSA-N 336.457 1.322 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1 257295409 QYEZFYMKGWXBRB-AWEZNQCLSA-N 345.403 1.824 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257286971 PNWDVEHDBZCJHJ-HNNXBMFYSA-N 330.388 1.871 0 40 EDAB O=C(COc1ccccc1F)N1CCC(N2C(=O)COC2=O)CC1 252502994 UWSQYUQPQYBVQE-UHFFFAOYSA-N 336.319 1.174 0 40 EDAB CN(CC(=O)Nc1cscc1Br)S(C)(=O)=O 585110587 ZFPDGHYVLAPYLP-UHFFFAOYSA-N 327.225 1.341 0 40 EDAB Cn1nc(O)c2c1CN(C(=O)c1cc(F)c(F)c(F)c1F)CC2 585128683 KEZRTDXLECXDAK-UHFFFAOYSA-N 329.253 1.881 0 40 EDAB CCN(CC)S(=O)(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257220237 DKDMKVMBDPKMIB-HOTGVXAUSA-N 342.461 1.477 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257298495 RLYAKBZWKXIPKL-CQSZACIVSA-N 340.387 1.844 0 40 EDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2nccn2C(C)C)c1 257246185 ISYBOUHHAXQQKY-KRWDZBQOSA-N 341.459 1.970 0 40 EDAB Cc1cc(C)nc(-n2nc(C)c(C/C(O)=N/S(C)(=O)=O)c2C)n1 42280104 QNPQDSNYZYOPGV-UHFFFAOYSA-N 337.405 1.355 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257292770 QMXAVFRGQUAZBJ-CQSZACIVSA-N 331.376 1.067 0 40 EDAB CS(=O)(=O)c1ccc(CN2CCO[C@@H](c3cnccn3)C2)cc1 257220178 DJWDSYQRXQJGEJ-MRXNPFEDSA-N 333.413 1.454 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257255501 KHSWBFZJNURJKU-ZDUSSCGKSA-N 339.442 1.796 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 257245405 IPIJJSQCXGAJNE-OAHLLOKOSA-N 339.355 1.581 0 40 EDAB Cc1nc(CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)cs1 257315493 VBQXWPVMPDGEDK-HUUCEWRRSA-N 334.397 1.774 0 40 EDAB Cc1nccn1-c1ncc(NC(=O)Cn2cnc3ccccc32)cn1 85555569 RLYZDCJSWISEDM-UHFFFAOYSA-N 333.355 1.959 0 40 EDAB O=C(N[C@H](C(=O)O)[C@@H](O)c1ccncc1)c1cccc2c1CCC2 1615003607 XDUVNAFWGWJJJE-HOTGVXAUSA-N 326.352 1.487 0 40 EDAB CC(C)Oc1ncccc1-c1noc([C@]23CNC[C@H]2CCOC3)n1 1615591535 XRJYPMKBIJXARN-PXAZEXFGSA-N 330.388 1.796 0 40 EDAB Cn1nccc1/C=C/C(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 585290520 XRVDMUCGMIUZPK-IHHMQQGQSA-N 341.411 1.266 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccc(F)cc3)C2)OC1 585105052 OJOQWTDNTMIBFZ-AWEZNQCLSA-N 342.436 1.356 0 40 EDAB Cc1cc(C)n(C(=O)CNC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n1 585287255 WARUBPXVMBHNJV-SZVBFZGTSA-N 343.427 1.948 0 40 EDAB CC(=O)N1CCC(N2CC[C@@](O)(COc3cccc(C)c3)C2)CC1 585269417 SRFFNKOWZUHBBF-IBGZPJMESA-N 332.444 1.822 0 40 EDAB Cc1cc(O[C@@H](C)C(=O)OCc2nc(N)nc(N)n2)ccc1C(C)C 51773950 DATYEQIUUKXMNB-NSHDSACASA-N 345.403 1.979 0 40 EDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)OC1CCCC1 55104643 XNAQVYWBJOBJIT-UHFFFAOYSA-N 335.404 1.333 0 40 EDAB Cc1cc(C(=O)NC2CCN(C(=O)Nc3nccs3)CC2)on1 58157366 KIRWTXDVHPUJGL-UHFFFAOYSA-N 335.389 1.866 0 40 EDAB Cc1ccc(C)n1-c1c(C(=O)N2CC[C@@H]([C@H](F)C(=O)O)C2)cnn1C 1548600168 VHSRXHLXPCTVGU-OCCSQVGLSA-N 348.378 1.712 0 40 EDAB CCc1ccc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1 68508436 WSQIFAYQHQLZFP-UHFFFAOYSA-N 338.473 1.488 0 40 EDAB Cc1ccc(S(=O)(=O)NCC/N=C(\O)c2ncccc2O)c(C)c1 69901014 ZTERNMMGLFXWEQ-UHFFFAOYSA-N 349.412 1.687 0 40 EDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1ccc(-n2cccn2)cc1 69970617 NXMMCTSRPSAWJI-LBPRGKRZSA-N 333.413 1.454 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(Cc3ccon3)CC2)c(C)s1 71913998 VPICHNZTXGHQQE-UHFFFAOYSA-N 341.458 1.859 0 40 EDAB CC(C)Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1cccnc1 71915819 WEFJBNHJQNMNLK-AWEZNQCLSA-N 335.433 1.855 0 40 EDAB CNC(=O)NC(=O)CN[C@@H](c1c(F)cccc1F)C(F)(F)F 96002818 PWFXVLKLTSJPEN-JTQLQIEISA-N 325.237 1.613 0 40 EDAB O=C1NC[C@H](C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)N1 89769619 LHJIBURXWLDEED-LLVKDONJSA-N 338.339 1.632 0 40 EDAB CS(=O)(=O)N1CCCN(c2cncc(Br)c2)CC1 96429121 PFZBYYSACCEEMW-UHFFFAOYSA-N 334.239 1.316 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 5090820 YIHVHEGAAFLWJZ-QXSJWSMHSA-N 348.374 1.353 0 40 EDAB CCOCCN1CCN([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1C 106776944 MKMWJURBBVHTDK-DLBZAZTESA-N 325.497 1.820 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)[C@H]1C[C@@H]1c1ccccc1 516853569 NIPVIZPJTKGFGA-OAGGEKHMSA-N 338.411 1.659 0 40 EDAB O=S(=O)(C1CCCCC1)N1CCC[C@H](Oc2ccncn2)C1 575604607 AHTUNSWXSFZSBN-ZDUSSCGKSA-N 325.434 1.982 0 40 EDAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)N1CCOCC1 575607057 UMIKYSAMEYXGLG-UHFFFAOYSA-N 329.282 1.290 0 40 EDAB Cc1cc(S(=O)(=O)NC2CCNCC2)ccc1Br 36286286 IZKKRONCSQIFHF-UHFFFAOYSA-N 333.251 1.788 0 40 EDAB Cc1ccc(OCC2CCN(C(=O)c3ccnc(O)c3)CC2)nn1 1888849819 SJYSBAGVKXLAOX-UHFFFAOYSA-N 328.372 1.817 0 40 EDAB Cn1nc(C2CCN(c3ccnc(C4CC4)n3)CC2)n(C2CC2)c1=O 1888864372 YIVBLFXREODELP-UHFFFAOYSA-N 340.431 1.968 0 40 EDAB Cc1cc2nc(C3CCN(Cc4cn(C)cn4)CC3)cc(O)n2n1 2037846320 NTQSJTKGURCGIY-UHFFFAOYSA-N 326.404 1.856 0 40 EDAB COC[C@@H]1CN(C(=O)c2csnn2)Cc2ncn(CC3CC3)c21 1614937911 UUGVIERYFXHORM-NSHDSACASA-N 333.417 1.531 0 40 EDAB O=C(NC(=S)Nc1cccc2c1C(=O)NC2=O)c1cccs1 4135278 WKABQNHIQBCSMP-UHFFFAOYSA-N 331.378 1.759 0 40 EDAB CCCCCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 5147988 IUNZMJNNMWCKOR-LBPRGKRZSA-N 346.435 1.771 0 40 EDAB CN(C)c1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1 5353669 WRONJNGSCRVUBD-HNNXBMFYSA-N 347.415 1.493 0 40 EDAB CCCS(=O)(=O)NC[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1 9035948 XRWFXHLBUIGDSE-ZDUSSCGKSA-N 340.445 1.768 0 40 EDAB Cc1cc(OC2CCN(C(=O)c3ccccn3)CC2)cc(=O)n1C 585326512 RESGACVQXMRPDQ-UHFFFAOYSA-N 327.384 1.772 0 40 EDAB Cc1cccc(CN2CCC[C@](C(=O)N(C)C)(n3ccnc3)C2)n1 2055772518 PTPJODWHCUIFJK-SFHVURJKSA-N 327.432 1.666 0 40 EDAB O=C(NCC1CC1)c1noc2c1C[C@@H](Nc1ncc(F)cn1)CC2 2055734547 IBLYREWTMJOBQR-NSHDSACASA-N 331.351 1.713 0 40 EDAB CC(C)(C)CNC(=O)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055713790 LQSZLRWHYKSEMS-ZDUSSCGKSA-N 332.448 1.748 0 40 EDAB CCN1CCN(CCCNC(=O)C(=O)c2c[nH]c3ccccc23)CC1 22461378 ZXVBAXJWBHKMME-UHFFFAOYSA-N 342.443 1.494 0 40 EDAB O=C(NCc1nc(-c2ccccc2)no1)c1nc(-c2cnccn2)no1 42381582 BNLQAPVOZZSYQR-UHFFFAOYSA-N 349.310 1.507 0 40 EDAB CCCc1nnsc1C(=O)N[C@H]1CCc2nc(N(C)C)ncc2C1 606440788 QHPQGJKAJLPGAD-NSHDSACASA-N 346.460 1.634 0 40 EDAB Cn1cc(-c2nccnc2CNC(=O)COCc2ccccc2)cn1 575618434 AAONYFLVTNVVAL-UHFFFAOYSA-N 337.383 1.710 0 40 EDAB CNC(=O)CNC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 30858355 UQDPVZUGFQVVOT-QGZVFWFLSA-N 336.395 1.856 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2cccnc2)cc1 40476230 XHICHKSYVCKHGH-UHFFFAOYSA-N 334.401 1.453 0 40 EDAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cn[nH]c1 40512164 HQXCAPKCXIGUAA-CYBMUJFWSA-N 347.400 1.112 0 40 EDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@H](C)C1 40540279 UZCQOPINFTWGEQ-XHDPSFHLSA-N 333.367 1.152 0 40 EDAB O=C(CN1CC(=O)Oc2ccc(Cl)cc21)NCc1ccccn1 31845055 QOFVMVZVPZZEAF-UHFFFAOYSA-N 331.759 1.777 0 40 EDAB Cc1cc(C)n2ncc(-c3noc(C(=O)NCc4ccncc4)n3)c2n1 31818718 AJRMEDRYUKSWEF-UHFFFAOYSA-N 349.354 1.721 0 40 EDAB N=c1c2nc(-c3ccccc3)[nH]c(=O)c2[nH]c(=O)n1-c1ccccc1 100914761 KCMVKILOWYDBKR-UHFFFAOYSA-N 331.335 1.549 0 40 EDAB COC(=O)CCCCC(=O)[C@@H]1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 101258474 AAHHLCOFCISNAT-KGLIPLIRSA-N 340.372 1.262 0 40 EDAB CC(C)CN1CCN(C(=O)NCc2cccnc2-n2cccn2)CC1 46080364 MPGWIPQJEGQZEM-UHFFFAOYSA-N 342.447 1.751 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCc1ccccc1N1CCOCC1)CC2 69840690 RKVHQWSXEZDRMT-INIZCTEOSA-N 327.432 1.528 0 40 EDAB O=C(O)[C@H]1CC(=O)N(CCCN2CCOCC2)[C@@H]1c1ccsc1 69819634 HTQUCFZYOGSTTI-DZGCQCFKSA-N 338.429 1.445 0 40 EDAB C[C@H](NC(=O)CNC[C@H]1CN(C)CCO1)c1ccc2c(c1)CCCC2 69869743 ZPCCMUBIAYJCCY-KXBFYZLASA-N 345.487 1.663 0 40 EDAB COC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 9615263 GLRACZRYBQNVGT-JTQLQIEISA-N 334.825 1.257 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)CC1 32645036 VXTVILYPVXAZLO-UHFFFAOYSA-N 327.388 1.188 0 40 EDAB CCOc1ccc(Br)cc1S(=O)(=O)NCCCO 32603620 IUTRJABAXORLDI-UHFFFAOYSA-N 338.223 1.509 0 40 EDAB CC1(C)C[C@@H](NC(=O)c2c(-n3cnnn3)sc3c2CCC3)CCO1 41128079 XLQRLXICRPOBGB-JTQLQIEISA-N 347.444 1.900 0 40 EDAB CS(=O)(=O)N1CCC2(CCN(Cc3nccs3)CC2)CC1 4238047 ZOMNJDXYLURUPP-UHFFFAOYSA-N 329.491 1.781 0 40 EDAB CCNC(=O)CN1C(=O)N[C@@](C)(CCc2ccc(OC)cc2)C1=O 21719804 LAPJTCBCTVQNHM-KRWDZBQOSA-N 333.388 1.074 0 40 EDAB CC(C)(C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6214819 JUKQIADMOUUHOJ-UHFFFAOYSA-N 326.418 1.236 0 40 EDAB C[C@H](NC(=O)CNc1cc(F)cc(Br)c1)C(=O)N(C)C 95418011 XPUVLMIXBSTUGH-QMMMGPOBSA-N 346.200 1.593 0 40 EDAB Cn1c(=O)c2sccc2n(CC(=O)NCCc2ccccc2)c1=O 6679470 RHHXEUMHOWDCGZ-UHFFFAOYSA-N 343.408 1.121 0 40 EDAB N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)NC(N)=O 6971209 ARUJZTLMTMQDEW-NTMALXAHSA-N 325.284 1.487 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CC2)c(C)c1 7604532 FBXFKWKVUSCGKI-UHFFFAOYSA-N 326.418 1.341 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)Cc1n[nH]c2ccccc12 102746743 PKCKBHWSVFBLFX-ZAGRPGIDSA-N 327.384 1.809 0 40 EDAB O=S(=O)(NCc1cccc2c1OCO2)c1ccc2c(c1)OCCO2 60509064 JWWZZGDCUYQIBP-UHFFFAOYSA-N 349.364 1.665 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(F)cc1 8328352 FNMNABUWHHQDPM-UHFFFAOYSA-N 341.342 1.535 0 40 EDAB NC(=O)CN(CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCCC1 52826567 MBOWIJOCAZBKKF-RYUDHWBXSA-N 349.397 1.954 0 40 EDAB CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2C(=O)OC)cc1 8778935 XOHBYNVYKXRWBE-UHFFFAOYSA-N 348.380 1.634 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NC[C@H]2Cc3ccccc3O2)cc1 33112560 ICIRTRUIUOCWLJ-CQSZACIVSA-N 331.393 1.824 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)CN1CCC(N2CCNC2=O)CC1 52214411 GTJBIVNKKDGLBJ-UHFFFAOYSA-N 348.422 1.274 0 40 EDAB Cc1ccccc1OC[C@@H](O)CN1CCC(N2CCN(C)C2=O)CC1 75604257 ABAZIBJBFMZKHE-KRWDZBQOSA-N 347.459 1.567 0 40 EDAB O=C(Nc1ccn(Cc2cccc3cccnc23)n1)[C@H]1COCCO1 61313911 NOHDKDJEORMKQT-OAHLLOKOSA-N 338.367 1.834 0 40 EDAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCN(Cc2ccccc2)CC1 61719263 SOJNAJLZBGVTKW-UHFFFAOYSA-N 337.423 1.822 0 40 EDAB Cn1ccs/c1=N\C(=O)CCCc1nc2ccccc2c(=O)[nH]1 23653901 DTKNZXLDUFJIRU-MNDPQUGUSA-N 328.397 1.773 0 40 EDAB O=C(NCCCOCc1ccco1)c1cccnc1N1CCOCC1 54918664 UYDPFKHZDZYSKI-UHFFFAOYSA-N 345.399 1.848 0 40 EDAB O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cn(Cc2ccccc2)nn1 43056599 LBXMIIBNUIQFMR-MRXNPFEDSA-N 349.394 1.822 0 40 EDAB C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1nncn1C 43135970 YZUQQVHWIGNPSD-UONOGXRCSA-N 346.435 1.996 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)C[S@@](=O)c1ccc(F)cc1F 72271674 KNAKSCVHEVCCQB-QFIPXVFZSA-N 327.356 1.465 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)CCCNc2ncccn2)no1 72299250 XVEVJGPIZLZSEQ-GFCCVEGCSA-N 330.392 1.978 0 40 EDAB Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCN(Cc3ccco3)C2)n1 55281059 ITWSOHCAKYCRSL-ZDUSSCGKSA-N 330.388 1.200 0 40 EDAB C[C@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)NC1CCCC1 24977053 ZSVOTMABKZGLEW-NHYWBVRUSA-N 331.368 1.759 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)no1 72299137 QLLSMFZJDRDHGU-OLZOCXBDSA-N 332.404 1.554 0 40 EDAB COCCc1noc(CN2CCC[C@H]2c2c(C)nn(C)c2OC)n1 72253825 HEQWDOPHTKSVSF-LBPRGKRZSA-N 335.408 1.646 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccnc(N3CCCC[C@@H]3C)c2)CC1 106868696 YMYFXKUKBYUUKK-HOTGVXAUSA-N 346.475 1.599 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c1 25399222 GSENCAXSJICHPP-INIZCTEOSA-N 345.399 1.922 0 40 EDAB CCCNC(=O)c1ccc(NC(=O)[C@@H](C)S(C)(=O)=O)cc1Cl 56151700 IUVKQBIQKHIJAJ-SECBINFHSA-N 346.836 1.851 0 40 EDAB C[C@@H](NC(=O)NCC(=O)Nc1ccccc1)c1nnc2ccccn12 56384016 FQONZAQUYGXBBW-GFCCVEGCSA-N 338.371 1.728 0 40 EDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)Nc1cc(F)ccc1F 25972806 OWIJMRWKAXIMGN-SECBINFHSA-N 342.342 1.997 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2ccncc2)CC1 56906504 QADZAVAIEYNPEK-UHFFFAOYSA-N 343.387 1.315 0 40 EDAB COc1ccccc1NCCC(=O)OCC(=O)NCc1ccco1 3245489 SCSFJMDUILKHSZ-UHFFFAOYSA-N 332.356 1.950 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NCc1ccc(N2CCOCC2)nc1 27355541 IKIDCUKKSVXOEE-AWEZNQCLSA-N 344.419 1.003 0 40 EDAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)S(=O)(=O)c1ncccc1Cl 110579258 IUBUIUOHOLGJBQ-MXWKQRLJSA-N 346.836 1.533 0 40 EDAB O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)NCCOc1cccc(F)c1 72270707 QLUCYQCLPHRNNY-CQSZACIVSA-N 346.406 1.923 0 40 EDAB CCOC(=O)N1CCC[C@H](C(=O)NC[C@@H](CO)Cc2ccccc2)C1 72290268 YBHGXUZDEVCPCZ-IRXDYDNUSA-N 348.443 1.822 0 40 EDAB Cc1nc(CN2CCN(C(=O)NCc3cccnc3)CC2)cs1 44895114 UTPHCEMBWNCTAF-UHFFFAOYSA-N 331.445 1.874 0 40 EDAB O=C(NCc1cn(-c2ccccc2)nn1)N[C@H]1CCCC[C@H]1CO 95410365 WXVGCDXUDSWNFN-BBRMVZONSA-N 329.404 1.618 0 40 EDAB Cn1ncc2cnn(C[C@@H](O)COc3cccc4[nH]ccc34)c2c1=O 95438877 IYDCFPBNONTJQA-GFCCVEGCSA-N 339.355 1.051 0 40 EDAB Cc1csc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1 27757095 LDZCYMBMYRTKSS-UHFFFAOYSA-N 338.414 1.443 0 40 EDAB COc1nn(C)c2nc(C)c(CCC(=O)N3CCO[C@H](C)C3)c(C)c12 44913293 IILMZERHKIPHPW-LLVKDONJSA-N 346.431 1.774 0 40 EDAB COc1cccc(N2CCN(C(=O)NCCCn3cccn3)CC2)c1 44968382 ATIASUXQNJIKAT-UHFFFAOYSA-N 343.431 1.814 0 40 EDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1n[nH]c3ccccc13)CC2 95400622 ZQJSRQKGWQRVIH-LSDHHAIUSA-N 329.400 1.955 0 40 EDAB CCCS(=O)(=O)N[C@H]1CCN(C(=O)Nc2cccc(OC)c2)C1 58306334 DDROECAFKPYIBV-ZDUSSCGKSA-N 341.433 1.631 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1cccs1)CC2 76022935 QHMHNJQHGLYPIL-UHFFFAOYSA-N 336.438 1.788 0 40 EDAB COc1ccc(Br)cc1CS(=O)(=O)c1nc[nH]n1 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331.303 1.975 0 40 EDAB CCOc1ncnc2c1CN(C[C@@H](O)COc1ccccc1C)CC2 65463514 IZIKJQXTZFOHCE-OAHLLOKOSA-N 343.427 1.982 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 97197822 AILHSVITMCHJHP-HZPDHXFCSA-N 338.411 1.363 0 40 EDAB O=C(COn1nnc2ccc(Cl)cc21)Nc1ccc2c(c1)OCO2 5457816 NYJQIJOKVVNWFN-UHFFFAOYSA-N 346.730 1.881 0 40 EDAB CC(C)OCCCNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 4689050 NDAYALICQLIZJF-AWEZNQCLSA-N 342.461 1.772 0 40 EDAB Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 78182645 SSKRLCZQUGVDAG-KBPBESRZSA-N 329.400 1.641 0 40 EDAB COC[C@]1(C)NC(=O)N(CC(=O)N(c2ccccc2)C(C)C)C1=O 66084209 XKQBKIBTNHRTIZ-KRWDZBQOSA-N 333.388 1.385 0 40 EDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)COc1ccc(C)cc1)C2 306138667 SDWVRUJPBBVSAG-INIZCTEOSA-N 332.444 1.943 0 40 EDAB CC1(CNC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)CCCC1 66596362 KWUFMDOFNYRFDG-HOTGVXAUSA-N 339.480 1.603 0 40 EDAB C[C@H]1C[C@H]1C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 4806652 BLKGJDUGIBRLEB-GXSJLCMTSA-N 334.328 1.305 0 40 EDAB CCN(C1CCN(C(=O)c2ccc(F)c(F)c2)CC1)S(C)(=O)=O 66855185 FUXCGBFWUOUNQK-UHFFFAOYSA-N 346.399 1.851 0 40 EDAB O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc[nH]c1=O 66942049 BBOBCZAORAQAEC-INIZCTEOSA-N 345.374 1.317 0 40 EDAB CCN1CCN(C(=O)[C@H](C)Sc2nc(-c3ccccn3)n[nH]2)CC1 78768143 XYYHCRVKQBFQSP-LBPRGKRZSA-N 346.460 1.511 0 40 EDAB O=C(N[C@H]1C[C@@H]1c1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 67511666 JVUNMFAWSWIITL-CABCVRRESA-N 343.408 1.156 0 40 EDAB C/C=C/c1cc(C(=O)OCc2nc(N)nc(N)n2)cc(OC)c1OC 16170126 YQJZLXHQQBJOOM-SNAWJCMRSA-N 345.359 1.443 0 40 EDAB COc1ccccc1-c1noc([C@@H](C)NC(=O)[C@H](C)NC(C)=O)n1 72303535 ZLGKQCYEAUZSQF-VHSXEESVSA-N 332.360 1.447 0 40 EDAB CC(C)N1C(=O)[C@H](NC(=O)C(=O)NCc2ccco2)c2ccccc21 9304432 ZDRAJDPQXJYDRF-OAHLLOKOSA-N 341.367 1.508 0 40 EDAB CCOc1cccc([C@@H](C)NC(=O)NCCNS(=O)(=O)CC)c1 68843079 ORMKITNKICUQQY-GFCCVEGCSA-N 343.449 1.385 0 40 EDAB CC(=O)NCCC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 8188456 ATDHNVWNUFYMFW-UHFFFAOYSA-N 341.433 1.228 0 40 EDAB NC(=O)NCc1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1 23009012 VNKRKVJBWJEFPB-UHFFFAOYSA-N 345.428 1.274 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCCC1 8262835 KLGOMDPCNQKQMV-ZDUSSCGKSA-N 339.461 1.668 0 40 EDAB NC(=O)c1ccc(NC(=O)CNC(=O)c2ccccc2Cl)cc1 8316321 NABNTLHHLIMGSF-UHFFFAOYSA-N 331.759 1.807 0 40 EDAB NC(=O)CN(Cc1nc(-c2ccc3c(c2)OCO3)no1)C1CCCC1 69462260 VUSSULWKYALSRL-UHFFFAOYSA-N 344.371 1.695 0 40 EDAB Cc1noc(C)c1CN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1cnn(C)c1 69492171 XVVJGRMQRXXNAL-DOMZBBRYSA-N 332.360 1.589 0 40 EDAB Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)c1 97375990 RTHWZDPIRWQVRV-UHFFFAOYSA-N 332.429 1.483 0 40 EDAB CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H](C)OCc1cccc(OC)c1 69738614 IYRJQRXMUIXPIP-CHWSQXEVSA-N 343.445 1.540 0 40 EDAB O=C(c1ccc(-c2cn[nH]c2)nc1)N1CCCN(c2ncccn2)CC1 71748425 PNZOIIVYPWUFNI-UHFFFAOYSA-N 349.398 1.614 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](NCc1nc(-c3cccnc3)no1)CC2 71877606 JAHRMVCQIOVQJG-CYBMUJFWSA-N 339.403 1.951 0 40 EDAB O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCN(c2ccncc2)CC1 71846888 TYVYKAOMSSDJTA-HNNXBMFYSA-N 342.443 1.521 0 40 EDAB CCNC(=O)N1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 71811275 JIQJHSUTQRFRPC-UHFFFAOYSA-N 344.415 1.301 0 40 EDAB COc1ccc(CCC(=O)N2CCN([C@@H]3C[C@@H](C)OC3=O)CC2)cc1 71832828 UHRUPIYATQATSH-RHSMWYFYSA-N 346.427 1.476 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2cccc(F)c2)CC1 71803116 RFKFOSTVDYXLLE-ZDUSSCGKSA-N 348.422 1.320 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@@H]3Cc4ccccc4S3)CCO2)n1 83829845 AWQUFDJYNIIHEO-OCCSQVGLSA-N 344.440 1.984 0 40 EDAB COC(=O)Cn1ncc2c(N[C@@H](CCO)C3CCCCC3)ncnc21 71911560 RMBWQOMUONBTLI-AWEZNQCLSA-N 347.419 1.743 0 40 EDAB CNC(=O)c1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 95439078 TULOJMIUDZIJBD-KRWDZBQOSA-N 340.423 1.844 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 95994974 QXWYOGSIPAFAFK-ZDUSSCGKSA-N 338.408 1.827 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)on1 95956430 ASRCGXZDAJRLKU-JKSUJKDBSA-N 329.404 1.164 0 40 EDAB O=C(N[C@H]1CCN(C2CCCCC2)C1=O)[C@@H]1Cc2ccccc2CN1 95971177 AXJHHJFUMJDEON-ROUUACIJSA-N 341.455 1.751 0 40 EDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C 75130513 UEGKIORRHTWCQB-ZIAGYGMSSA-N 336.461 1.622 0 40 EDAB COc1c(C)cnc(CNC(=O)NCCCN2C(=O)CCC2=O)c1C 89702208 ZRZARNZIOMIATI-UHFFFAOYSA-N 348.403 1.045 0 40 EDAB CC[C@@H](C)C(=O)NCC(=O)N1CCC[C@@H]1c1nncn1CC(C)C 89942146 VTJQMZGAPIZBGY-ZIAGYGMSSA-N 335.452 1.760 0 40 EDAB CN1CCN([C@@H](C(=O)O)c2cn(C)c3cc(C(=O)O)ccc23)CC1 36367201 MTRZWZRJPXACCF-OAHLLOKOSA-N 331.372 1.250 0 40 EDAB CCSc1nnc(Sc2nnc(SCC(N)=O)o2)s1 524732520 LQNJZRLBZUJSNC-UHFFFAOYSA-N 335.461 1.762 0 40 EDAB Cc1cc(Nc2cnccn2)nc([C@@H]2CCN(C(=O)CN(C)C)C2)n1 72382583 OUFPTBZDRYICES-CYBMUJFWSA-N 341.419 1.196 0 40 EDAB CN1C(=O)CO[C@H](C(=O)N2CCSCC2)[C@@H]1c1cccc(F)c1 72241807 PXXALPJRLFBXEG-GJZGRUSLSA-N 338.404 1.299 0 40 EDAB Cn1cc(S(=O)(=O)N2CCN(CC3CC3)c3ccccc32)cn1 74977071 JGOBDJUYTMKXQP-UHFFFAOYSA-N 332.429 1.845 0 40 EDAB CN(C)C(=O)CCc1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 72360477 RSUOMYJUIVUKOG-CYBMUJFWSA-N 339.461 1.241 0 40 EDAB COC(=O)CNC(=O)c1cn(-c2ccccn2)c(=O)c2ccccc12 79475484 KNRDYFGIVWRCKG-UHFFFAOYSA-N 337.335 1.289 0 40 EDAB COC(=O)c1ccsc1NC(=O)C1CN(C(=O)c2cnccn2)C1 70809167 CXGASMNAPFDYMH-UHFFFAOYSA-N 346.368 1.035 0 40 EDAB CC(C)[C@@H](CNC(=O)NC[C@@H]1CN(C)CCN1C)c1ccccc1 78924880 ZEVXZVOBTBILDE-QZTJIDSGSA-N 332.492 1.971 0 40 EDAB Cc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)n(C)n1 72241646 KZKYYAJGZSJKER-CVEARBPZSA-N 346.362 1.405 0 40 EDAB CCN1CCN(CCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 79335586 UMXOGYJGNJXLLW-SFHVURJKSA-N 349.450 1.753 0 40 EDAB c1nc(N2CCN3CCC[C@@H]3C2)cc(N2CCN3CCC[C@@H]3C2)n1 185379689 LQVNAFFKDGYLOA-HZPDHXFCSA-N 328.464 1.045 0 40 EDAB CC(C)Oc1ccc(NC(=O)[C@@]23C[C@@H]2CCN(C)S3(=O)=O)cc1 225953144 YMHFDCBYTONEMO-BLLLJJGKSA-N 338.429 1.836 0 40 EDAB COc1cccc2cc(C(=O)NC[C@@H](O)c3cccn3C)c(=O)oc12 75155078 PKCGTCUHXQXOHG-CQSZACIVSA-N 342.351 1.604 0 40 EDAB O=S(=O)(N[C@@H]1CCc2nnnn2CC1)c1cc2ccccc2o1 576336704 TVHKAJGIWMHPJR-LLVKDONJSA-N 333.373 1.103 0 40 EDAB CCN1CCN(c2ncc3c(n2)CN(c2cccc(F)c2)C3=O)CC1 46088856 JPLUKPVMPFBDST-UHFFFAOYSA-N 341.390 1.918 0 40 EDAB NC(=O)c1ccc(C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1 573253646 XIDHOTGYVLQJOL-IRXDYDNUSA-N 335.407 1.994 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3cccc(F)c3)N[C@](C)(C(=O)OC)[C@@H]2C1=O 229994508 YETVZQMIBWNCBG-MRHIQRDNSA-N 334.347 1.023 0 40 EDAB Cc1nn(C)c(C)c1OCCN(Cc1ccccc1)S(C)(=O)=O 190092020 AFWKGTFYIPIWOW-UHFFFAOYSA-N 337.445 1.878 0 40 EDAB C[C@H]1CN([C@@H](CNc2nc(C(=O)O)co2)c2cccs2)CCO1 577637665 ABTQNRFLURVWNL-JQWIXIFHSA-N 337.401 2.308 0 40 EDAB CN1C(=O)[C@@H](c2cccnc2)CC12CCN(Cc1cnn(C)c1)CC2 96199491 PCNJBXAWSJZMPK-QGZVFWFLSA-N 339.443 1.796 0 40 EDAB COc1ccc(C(=O)N2CCC(c3nncn3C)CC2)c(N)c1F 1595349830 OMCDSNWZFHXQSH-UHFFFAOYSA-N 333.367 1.565 0 40 EDAB Cc1cc(=O)c(OCC(=O)N2CCN(Cc3ccccc3)CC2)c[nH]1 95472398 OUFBMWQIBKQSPV-UHFFFAOYSA-N 341.411 1.407 0 40 EDAB CC(C)c1noc(CCC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)n1 97198880 YFWNAYIZFGXDOK-LBPRGKRZSA-N 346.435 1.972 0 40 EDAB O=C1CC[C@H](C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)N1 96495831 QIQFDCXOCREXGL-UONOGXRCSA-N 339.399 1.456 0 40 EDAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@@H]1CC[S@](=O)C1)C2 583598171 FUIFVPDWGINGFE-ZLOXQWCVSA-N 334.441 1.773 0 40 EDAB CCS(=O)(=O)N1CCC[C@@]2(COCCN(c3ccccn3)C2)C1 96229066 RCGCWUGCDMNOHJ-INIZCTEOSA-N 339.461 1.350 0 40 EDAB Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(c1ncccn1)CCO2 96074927 PCQSJXXCRPPITF-GOSISDBHSA-N 343.431 1.953 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@]3(C[C@@H](Oc4ncccn4)CO3)C2)[nH]n1 96222623 XEFIPDCJXRFMAN-CXAGYDPISA-N 343.387 1.351 0 40 EDAB O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@H]1C[C@@]12CCOC2 332914205 TWVGEUMHBZTLET-UKRRQHHQSA-N 327.377 1.142 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1ccccn1 96041870 AWHCRWSPGXMCKQ-SQWLQELKSA-N 326.356 1.323 0 40 EDAB CCc1ccc(CN2C[C@H]3CN(C(=O)c4cnccn4)C[C@H]3C2)o1 96182300 CIQIZJBZBDTBFJ-OKILXGFUSA-N 326.400 1.836 0 40 EDAB CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)c(F)c1 249133430 DJBGDJWYFCCGTP-STQMWFEESA-N 337.370 1.989 0 40 EDAB O=C(c1ccncn1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 247857469 LDSJVLVQTKQSFV-AWEZNQCLSA-N 349.456 1.620 0 40 EDAB Cc1nc(CN2Cc3ccnn3[C@H](C(=O)N3CCCCO3)C2)cs1 247963468 PNXOZEOJXXMOIW-HNNXBMFYSA-N 347.444 1.759 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)CN(C)C 585115393 YKSGOCPQUXEMCV-SWLSCSKDSA-N 342.509 1.778 0 40 EDAB COc1ccc(CN2CC[C@H]2C(=O)N[C@H]2CC[C@@H](CO)CC2)cc1 585131946 KLGVOWCAPGMLCB-JZXOWHBKSA-N 332.444 1.937 0 40 EDAB Cn1cncc1CC(=O)N1CCC[C@H](O)[C@@H]1CCc1ccccc1 585125820 GRAVACNCCIETQH-ROUUACIJSA-N 327.428 1.947 0 40 EDAB Cc1ccnc([C@H]2CCN(C(=O)CCn3nnc4ccccc43)C2)n1 257341267 ZJPAOYXPNNSFTJ-AWEZNQCLSA-N 336.399 1.936 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ccon3)CC2)C[C@@H](O)C1(C)C 257289358 PYGSGFFJOQXCDK-CQSZACIVSA-N 335.404 1.289 0 40 EDAB O=C(CCN1CCCC1=O)NCc1cnc([C@@H]2CCCCO2)nc1 257291213 QGDKVSYVEUVWAY-AWEZNQCLSA-N 332.404 1.347 0 40 EDAB 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EDAB Cc1cccc(S(=O)(=O)NC[C@H](O)c2ccc3c(c2)CCN3C)c1 96362598 VNQLTKOCJAQOBS-SFHVURJKSA-N 346.452 1.999 0 40 EDAB CCn1ccc2ccn(CCNC(=O)Cc3c(C)noc3C)c(=O)c21 575605750 HBYYJUIDTSYSIJ-UHFFFAOYSA-N 342.399 1.787 0 40 EDAB CCc1ccc(S(=O)(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1 575421183 NINQNERYHJXPNA-AWEZNQCLSA-N 331.459 1.447 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575406121 WCGNDURRWCIFDE-LSDHHAIUSA-N 334.441 1.721 0 40 EDAB Cc1cccc(C[C@H]2CCN(C(=O)c3cc(O)nc(C)n3)C[C@H]2O)c1 585279890 SNWFZDYHOCRRTD-NVXWUHKLSA-N 341.411 1.865 0 40 EDAB CC(C)CNC[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O 585284477 LHGHZSWIZYVNCQ-RDJZCZTQSA-N 340.851 1.524 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2cnc3ccccc3c2)CC[C@H]1OC 585277821 YEQGKSVOBDNHEW-NVXWUHKLSA-N 341.411 1.848 0 40 EDAB CCc1n[nH]cc1C(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1 585275990 CSCLRKQTKDMLPO-SFHVURJKSA-N 329.400 1.418 0 40 EDAB O=C(N=c1cc[nH]cc1Br)NC1C[C@@H]2CC[C@H](C1)N2 667299781 VCEBCEWVRZSCEN-ULKQDVFKSA-N 325.210 1.671 0 40 EDAB CCCC(=O)N1Cc2cncn2[C@@H](C(=O)NCc2cccnc2)C1 585095990 IEEKHOLNKFHCJZ-OAHLLOKOSA-N 327.388 1.278 0 40 EDAB COCCNC(=O)Cc1cn2c(n1)[C@@H](C)N(C(=O)CC(C)C)CC2 585096360 JZEVLXYMDDLHJS-CYBMUJFWSA-N 336.436 1.138 0 40 EDAB CNC(=O)c1cccc([C@@H]2CNCCN2C(=O)c2ccc(F)cc2)c1 585182289 WUDCQSNOGRYRIC-KRWDZBQOSA-N 341.386 1.972 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)CC2=CC(C)(C)NC(C)(C)C2)[C@@H]1O 585286065 IPWZDSVWDYCPMO-FMKPAKJESA-N 340.464 1.087 0 40 EDAB Cc1c[nH]nc1C[C@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 585182119 JSSLYGICZUIRSN-CQSZACIVSA-N 338.415 1.944 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CC[C@@H](Oc2cnsn2)C1 828199713 CXJSNHCTNDDSEY-SNVBAGLBSA-N 327.369 1.775 0 40 EDAB CC(C)(CNS(=O)(=O)Cc1ccc(F)cc1)N1CCOCC1 48290267 WPAMIBACHMZSJR-UHFFFAOYSA-N 330.425 1.356 0 40 EDAB O=C(/C=C/c1ccc(F)cc1)N1CCN(CC(=O)N2CCCC2)CC1 58265440 WNDKGGAXSBDHHU-VMPITWQZSA-N 345.418 1.606 0 40 EDAB CCC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CC 58298356 RXQJIHUOZIUESC-UHFFFAOYSA-N 327.431 1.775 0 40 EDAB CN(C)C(=O)N1CCN(CC(=O)N(C)Cc2ccc(F)cc2)CC1 59372672 NVTYDJMYWDYPDE-UHFFFAOYSA-N 336.411 1.083 0 40 EDAB O=C(NCc1ncc(Br)cn1)N[C@H]1CC12CCOCC2 1548452866 NZBIAAHMDHXSDB-JTQLQIEISA-N 341.209 1.607 0 40 EDAB COc1ccnc(N2CCCN(C(=O)Nc3ccccn3)CC2)n1 69420589 KLOQJBXYCDQOIK-UHFFFAOYSA-N 328.376 1.624 0 40 EDAB COc1ccc(S(=O)(=O)NCC[S@](=O)c2ccccc2)cc1 69627144 DIRFYAUQHUPWOR-OAQYLSRUSA-N 339.438 1.781 0 40 EDAB Cc1nnc2ccc(N3CCN(Cc4cccc(F)c4)CC3)nn12 70011654 TWGJWYBXRQVKMJ-UHFFFAOYSA-N 326.379 1.894 0 40 EDAB CCC(=O)N1CCC[C@@H](C(=O)N2CCCN(CCCOC)CC2)C1 71792371 KLBXJKWRQSZTKM-MRXNPFEDSA-N 339.480 1.206 0 40 EDAB Cn1cc(Cl)cc1CNC(=O)NCC1CCS(=O)(=O)CC1 95440327 LFORCPYJCBIFOL-UHFFFAOYSA-N 333.841 1.303 0 40 EDAB CCN1CCC(NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)CC1 95964341 GNRFEIKHIMZTJY-SFHVURJKSA-N 329.444 1.560 0 40 EDAB COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)on1 585128994 TYRAUSSRXRBODH-QMMMGPOBSA-N 338.341 1.585 0 40 EDAB Cc1cc(N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)ncn1 585610205 AKTPPOHQGHQGRV-HUUCEWRRSA-N 336.443 1.945 0 40 EDAB CC(C)(C)OC(=O)N1CC2(CC[C@H](N[C@@H]3CCc4ncnn4C3)C2)C1 1616031189 JMHINPVMKYNWFB-UONOGXRCSA-N 347.463 1.972 0 40 EDAB CCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(OCC)cc1 12234005 BMVPURBODXFXGH-UHFFFAOYSA-N 343.387 1.329 0 40 EDAB CCOc1ccccc1N1C[C@@H](C(=O)OCc2nnc(C)o2)CC1=O 12741268 CZXLHMDVXCILSI-LBPRGKRZSA-N 345.355 1.873 0 40 EDAB CCCNS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585637 QRDWLQHYAAFATI-UHFFFAOYSA-N 328.415 1.413 0 40 EDAB O=S(=O)(NCCc1ccccc1)c1ccc(-n2cnnn2)cc1 15935475 CPSBPEHRRAUQGR-UHFFFAOYSA-N 329.385 1.183 0 40 EDAB Cc1occc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 19355719 WOCGMLXMBDYJKU-UHFFFAOYSA-N 325.342 1.471 0 40 EDAB O=C(O)CCNC(=O)c1cc(Br)c(Br)[nH]1 204302693 JKVFRRMEVSUCAD-UHFFFAOYSA-N 339.971 1.744 0 40 EDAB C[C@@]1(C(=O)O)CCCN1CC(=O)Nc1ccc2c(c1)OCCCO2 530210192 YZPHZUKKLWPKDD-KRWDZBQOSA-N 334.372 1.726 0 40 EDAB COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 244933219 CHTLFNRQIKAXJC-MBNYWOFBSA-N 327.402 1.310 0 40 EDAB CCc1ncc(CN2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cn1 19523388 IXASXGZJXSBMPO-HNNXBMFYSA-N 339.443 1.922 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 29190335 VXLVAEGATFSKKO-KGLIPLIRSA-N 340.445 1.303 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 29200447 YLOINIQANWGBQE-VIFPVBQESA-N 334.800 1.633 0 40 EDAB O=C(NCCC1CCCC1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 29343804 NJWDYERSGHZIIN-UHFFFAOYSA-N 342.399 1.730 0 40 EDAB Cc1ccc(Cl)cc1N1CCN(c2ccc3nnnn3n2)CC1 32871774 RMAHESIAQNRYCD-UHFFFAOYSA-N 329.795 1.808 0 40 EDAB O=C(NCC[C@@H](CCO)c1ccccc1)C(=O)NCc1ccco1 245130867 VBTIRNGMLFHPOO-HNNXBMFYSA-N 330.384 1.568 0 40 EDAB CC(C)N1C[C@@]2(COCC1=O)CN(CCCc1ccccc1)CCO2 2037980692 FJEMGLWQACVBOX-HXUWFJFHSA-N 346.471 1.957 0 40 EDAB COc1cc(CN2CCO[C@]3(CCCCN(C)C3=O)C2)cc(OC)c1 2037983798 GLWWPKGHNWIPER-LJQANCHMSA-N 348.443 1.917 0 40 EDAB Cc1nc(C(=O)N2C[C@H]3CCN(c4cnccn4)C[C@@H]3C2)cs1 1565554086 JWCKSWSYJCZLOW-CHWSQXEVSA-N 329.429 1.840 0 40 EDAB CCc1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1 4061647 UOYZUCWDHMUNSW-UHFFFAOYSA-N 343.412 1.277 0 40 EDAB CCOc1ccc(N2C[C@@H](NC(=O)NC[C@@H]3CCCO3)CC2=O)cc1 4373646 SPJWCPFBTSFZJZ-BBRMVZONSA-N 347.415 1.669 0 40 EDAB Cn1ncc2c(N3C[C@H]4CN(c5ncccc5F)C[C@@H]4C3)ncnc21 2086866205 RMRUJEAUAUNKRQ-RYUDHWBXSA-N 339.378 1.470 0 40 EDAB O=C(Nc1cccnc1)[C@@]1(F)CCN(Cc2n[nH]c3c2CCC3)C1 2086864690 BFYHARSSUOVIMN-QGZVFWFLSA-N 329.379 1.846 0 40 EDAB Cc1cc(C)nc(N2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)n1 585604920 MODKSSGNSLPXGO-UHFFFAOYSA-N 348.410 1.849 0 40 EDAB Brc1cnc(N2CC[C@@H](COc3cnccn3)C2)nc1 2298183850 GMEFHJHAMSPGML-SNVBAGLBSA-N 336.193 1.934 0 40 EDAB O=C1NCCC[C@H]1N1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1 2298187878 DAKDDGNPHKMXTJ-CHWSQXEVSA-N 329.391 1.235 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CN1CCSCC1)CC2 40540644 DPBJZMRTNWQTJI-UHFFFAOYSA-N 336.457 1.637 0 40 EDAB CCCn1c(S[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)n[nH]c1=O 10438674 MLYRVIHEZQAEQL-GRYCIOLGSA-N 326.466 1.967 0 40 EDAB O=C(NCCCN1CCOCC1)c1ccc(Cn2ccnc2)cc1 30944577 SPXPJKGRXYEYSM-UHFFFAOYSA-N 328.416 1.384 0 40 EDAB Cc1ccc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)c1 31711371 DHQXCDLPMYSBNF-UHFFFAOYSA-N 348.424 1.598 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)c3scnc3C)cn2)CC1 40541116 CIPCHVYYHKXTBT-UHFFFAOYSA-N 345.472 1.918 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 20548697 NUANHMFWMWBFGM-GNEJLTCGSA-N 341.411 1.535 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 20722439 RQZQJAKLZQXNHW-UHFFFAOYSA-N 329.360 1.078 0 40 EDAB O=C(c1ccncc1)N1N=C(c2cccnc2)C[C@]1(O)C(F)(F)F 302770 BTMFHFLEQNDJTE-AWEZNQCLSA-N 336.273 1.978 0 40 EDAB COCCN1CCN(CC(=O)N(C2CCC(C)CC2)C2CC2)CC1 69873492 HAEBBNQWNKUOIQ-UHFFFAOYSA-N 337.508 1.820 0 40 EDAB CCOc1nnc(CN2CCN(C[C@H](O)c3ccccc3)CC2)s1 69876970 FISGVTAMZIFIJM-HNNXBMFYSA-N 348.472 1.788 0 40 EDAB COC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(O)c(OC)c1 1007310 JNDGTZBMZLLHRG-CQSZACIVSA-N 348.380 1.834 0 40 EDAB Cc1cc(F)ccc1CN1CCN(CCN2C(=O)CCC2=O)CC1 92148206 MPWGPGSLSVSLQT-UHFFFAOYSA-N 333.407 1.401 0 40 EDAB COc1ccc(CNC(=O)COC(=O)Cc2c(C)noc2C)cc1 21492816 FCRPDXMFDHYIJJ-UHFFFAOYSA-N 332.356 1.702 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cn2)o1 32827269 ZVBNWZOLHAHGLS-UHFFFAOYSA-N 329.765 1.831 0 40 EDAB CCOc1ccc(CN(C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 32803269 VIXDJZVQDLWQCC-AWEZNQCLSA-N 340.445 1.661 0 40 EDAB COc1cc([C@H]2C(C(N)=O)=C(C)N=C3N=NNN32)ccc1OC(C)C 4368735 KLYNPWJQXKDOMI-AWEZNQCLSA-N 344.375 1.840 0 40 EDAB COCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4435514 WXBQYUSXHNZBRN-OAHLLOKOSA-N 332.331 1.174 0 40 EDAB O=C(O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)Cc1ccccc1 6575145 FNWLISINDBGMPA-OAHLLOKOSA-N 335.381 1.508 0 40 EDAB Cn1cc(CCNC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cn1 46993646 ACHYDCLXELZRQS-MRXNPFEDSA-N 332.379 1.885 0 40 EDAB CC[C@@](C)(CNC(=O)N(C)Cc1c(C)noc1C)N1CCOCC1 46940822 VCLTXJLWPVGPBW-KRWDZBQOSA-N 338.452 1.934 0 40 EDAB COc1ccc(/C=C/C(=O)NC(=S)N2CCC[C@@H](C(N)=O)C2)cc1 527083 BGPDMKACDNLBPE-YSKGHYERSA-N 347.440 1.307 0 40 EDAB CCOC(=O)COc1nc(Nc2ccccc2C)nc(N(C)C)n1 522370 NLMIHQQSSTZOKJ-UHFFFAOYSA-N 331.376 1.932 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccc3O)CC2)C1 61476104 PYOJUZHBGKBZLW-HNNXBMFYSA-N 331.416 1.299 0 40 EDAB CC(C)N(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3cccn3C)C2)O1 107194779 UGZYSNRIVDBANQ-APWZRJJASA-N 349.475 1.756 0 40 EDAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CC[C@H](C(N)=O)C1 53895021 RGAFABKPYPHJAT-ZDUSSCGKSA-N 344.390 1.505 0 40 EDAB CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(-n3cccn3)nc2)C1 61767856 QAHOXMPLWSHGBW-ZDUSSCGKSA-N 342.403 1.647 0 40 EDAB Cc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)NC3CC3)CC2)cc1 22933342 SUDKLIWQNMFWJR-HNNXBMFYSA-N 344.459 1.218 0 40 EDAB CSc1nc2nc(CSc3nnc(N)s3)cc(O)n2n1 9302698 KRGVEGZFNMGRIM-UHFFFAOYSA-N 327.420 1.278 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)OCC(=O)NCC(F)(F)F 47771404 GYVSLHABEHAZSH-UHFFFAOYSA-N 342.273 1.881 0 40 EDAB C[C@H](NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1cccnc1 23109516 YTXGMMDLDKRLEH-NSHDSACASA-N 326.331 1.808 0 40 EDAB COc1ccccc1N1C[C@@]23C=C[C@H](O2)[C@H](C(=O)OC(C)C)[C@H]3C1=O 102157191 VTCRUVJPMOKWNC-IUVQAAGXSA-N 343.379 1.933 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 42533605 TWLVVKDCIFVXFO-ZIAGYGMSSA-N 330.388 1.533 0 40 EDAB C[C@@H]1CN(C(=O)CCCc2nc(C3CC3)no2)C[C@@H]1N1CCOCC1 76052127 OBCNJFHGJPRDHB-HIFRSBDPSA-N 348.447 1.449 0 40 EDAB CCc1cccc(OC[C@@H](O)Cn2cnc3c(cnn3C)c2=O)c1 42758150 JNQGYPMCUQWOJW-ZDUSSCGKSA-N 328.372 1.132 0 40 EDAB O=C(NCCOc1ccc(F)cc1)c1ccnc(-n2cncn2)c1 54705492 NEBRCLYCTSSJFU-UHFFFAOYSA-N 327.319 1.610 0 40 EDAB Cn1cc(CN2CCCN(C(=O)c3cccc4[nH]ncc34)CC2)cn1 72279797 VETJOHDVZZOYAI-UHFFFAOYSA-N 338.415 1.645 0 40 EDAB Cc1ccc(C)c(NC(=O)CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 106871496 IISWZWNPDIMMMO-KGLIPLIRSA-N 326.462 1.995 0 40 EDAB Cc1ncc(CN2CC[C@H](Nc3ccc4nnnn4n3)[C@@H](C)C2)s1 106915755 KDRWUMJNCIGMDU-GWCFXTLKSA-N 344.448 1.607 0 40 EDAB O=C(NCc1ccncc1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 34916437 ZCMUSLKTYCMZDV-HNNXBMFYSA-N 327.359 1.886 0 40 EDAB C[C@@H](Cc1ccccc1F)NC(=O)CN(C)c1ncnc2[nH]cnc12 56146704 QIBASSNTCOUVLO-NSHDSACASA-N 342.378 1.676 0 40 EDAB Cc1nc(CNC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cs1 43819779 QVWGQFACVPBILL-CQSZACIVSA-N 326.466 1.608 0 40 EDAB CCOc1cccc(CNC(=O)c2cnc3n(c2=O)CCS3)c1 48261505 CYXPKUWZGYSZDZ-UHFFFAOYSA-N 331.397 1.678 0 40 EDAB Cc1ccnc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)n1 3357740 JGRNHXFCWXDPMX-UHFFFAOYSA-N 329.389 1.570 0 40 EDAB CCn1cc(C(=O)N2CCN(C)CC2)c(=O)c2cc(OC)ccc21 22235905 RRTHZABISIMSCV-UHFFFAOYSA-N 329.400 1.418 0 40 EDAB O=C(C[C@@H]1C=CCC1)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 58231305 WGDMHALPWQAGDC-SNVBAGLBSA-N 342.355 1.040 0 40 EDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccc(Cn2cncn2)cc1 44941960 XOXDDEUWPINWPC-IAGOWNOFSA-N 325.416 1.683 0 40 EDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-n2ccnc2)nn1 69444191 HTMLTNJSIDLJMG-INIZCTEOSA-N 348.410 1.667 0 40 EDAB Cc1oc(-c2ccsc2)nc1CC(=O)NCCS(C)(=O)=O 58405139 XECQSRYUVDEJJI-UHFFFAOYSA-N 328.415 1.415 0 40 EDAB COCCN1C[C@@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1=O 45287188 KWXHYNUHQLUIGZ-JSGCOSHPSA-N 348.399 1.130 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCCc2ccc(Br)s2)C1 45394071 KJMKWQRKCDZUSC-MRVPVSSYSA-N 346.250 1.570 0 40 EDAB Cc1nc(C(=O)N(C)CC(=O)NC(C)(C)C)nn1-c1ccc(F)cc1 45580817 DRNPSKPFRJHYMU-UHFFFAOYSA-N 347.394 1.702 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)Nc1nncs1 48316842 OGLQJFBOYZBUQL-UHFFFAOYSA-N 328.357 1.173 0 40 EDAB NC(=O)c1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1 48300104 DHEUGMUZVMPQIG-UHFFFAOYSA-N 334.379 1.960 0 40 EDAB CC1(C)NC(=O)N(C[C@@H](O)COCc2ccc(Cl)cc2)C1=O 12862965 GFVXVSHLJJGFIR-GFCCVEGCSA-N 326.780 1.548 0 40 EDAB CCNC(=O)NC(=O)COC(=O)c1ccccc1NCc1ccco1 3496688 SQRYREWIMRKDOP-UHFFFAOYSA-N 345.355 1.894 0 40 EDAB Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)[C@H]2C[C@@H]2C)c1C 12916431 MNYNBLBCWBVDIN-JSGCOSHPSA-N 331.416 1.473 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)COc3ccc(C(N)=O)cc3)C2)no1 72231712 MQTSXPNZLLUGRB-ZDUSSCGKSA-N 344.371 1.262 0 40 EDAB COc1ccc(/C=C2\NC(=S)N(C[C@H]3CCCO3)C2=O)c(OC)c1 13119069 IAHWWXFUQYOXKT-HRYODUOUSA-N 348.424 1.940 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(C(N)=O)c3)C2=O)o1 60346261 CUJCUJGKUMJOIF-QGZVFWFLSA-N 327.340 1.654 0 40 EDAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NC1CC1 38790986 SYEAEZYQDVQQGU-UHFFFAOYSA-N 348.200 1.951 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)NCCc2nnc3n2CCC3)c1 71906582 ROJGMISKKPYGBK-ZDUSSCGKSA-N 344.415 1.497 0 40 EDAB CC1(C)CN(C(=O)C(=O)Nc2ccnn2C2CCCCC2)CCO1 71920382 HUBHRHXFRNKDLW-UHFFFAOYSA-N 334.420 1.964 0 40 EDAB COC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 65494509 HPGSYDQZPCLZNI-GFCCVEGCSA-N 341.408 1.297 0 40 EDAB NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3c(c2)OCO3)c1 14092693 MWQLSPZQFWWMCN-UHFFFAOYSA-N 338.316 1.454 0 40 EDAB c1ccc2c(c1)OCC[C@H]2NCc1cnc(N2CCOCC2)nc1 65549045 WSSOQHFIUBGWQQ-MRXNPFEDSA-N 326.400 1.927 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1ccc(N2CCCC2=O)cc1 14121107 UIJSXCCRKJLDBM-UHFFFAOYSA-N 349.412 1.897 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CC(=O)N(C)C1 65624970 JVWMVIOYYKNJOV-CQSZACIVSA-N 326.400 1.379 0 40 EDAB COCc1nnc2sc(CN3C(=O)c4ccccc4C3=O)nn12 6754880 NCJBGSFFCYTASL-UHFFFAOYSA-N 329.341 1.128 0 40 EDAB CCOC(=O)NC(=O)COC(=O)CSc1nc2ccccc2o1 5969727 KOZSLXHHSVXFGL-UHFFFAOYSA-N 338.341 1.736 0 40 EDAB Cc1nc2c(c(N3CCC(O)(c4cccnc4)CC3)n1)CCNCC2 65372945 SMZPPNLIEUJPSF-UHFFFAOYSA-N 339.443 1.356 0 40 EDAB CNC(=O)Cn1cc(NC(=O)CCc2c(C)noc2Cl)cn1 68432976 HBWPHGMSZHDNGR-UHFFFAOYSA-N 325.756 1.150 0 40 EDAB O=C(CN1CCC[C@@H](O)C1)Nc1ccccc1C(=O)NC1CCCC1 68517150 MZVNYBJRTRORFM-OAHLLOKOSA-N 345.443 1.754 0 40 EDAB CCN1C(=S)N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 9302657 IDRVLQBXVNWPRI-RYUDHWBXSA-N 330.862 1.932 0 40 EDAB CCN(C(=O)c1ccc(-c2ccccc2)nc1C)[C@H]1CC(=O)NC1=O 69493618 NLLNGZXONBNOFP-INIZCTEOSA-N 337.379 1.934 0 40 EDAB Cc1cc(Cl)ccc1OCC(=O)NC1CCN(CC(N)=O)CC1 71795930 WIDMFMGCYRWZBQ-UHFFFAOYSA-N 339.823 1.093 0 40 EDAB CCOc1cc(C)nc(N2CCN([C@@H](C)c3nc(C)no3)CC2)n1 69560864 HOJCFGJAJNTBJM-LBPRGKRZSA-N 332.408 1.758 0 40 EDAB Cc1cnn(C[C@H](C)NC[C@@H](O)COc2ccc3c(c2)OCO3)c1 69652122 XQNHYVHJMAKATL-UONOGXRCSA-N 333.388 1.338 0 40 EDAB Cn1c(Cl)cnc1CN1CCCN(C(=O)[C@H]2CCCO2)CC1 69653472 VOSHGFAVEVGTDV-GFCCVEGCSA-N 326.828 1.287 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@@H](CO)Cc2ccccc2)c(=O)[nH]1 84072762 SXWMOXAETDXDGR-INIZCTEOSA-N 343.427 1.642 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](C)C2=O)c(Br)c1 9591335 QAJMFZIRPGMLHR-MRVPVSSYSA-N 340.177 1.636 0 40 EDAB Cn1c(=O)[nH]c2cc(C(=O)N3CCC[C@@H]3Cn3cccn3)ccc21 71866680 KVAAGUJHLAJEQH-CYBMUJFWSA-N 325.372 1.368 0 40 EDAB CCn1c(CNC(=O)[C@@H](C(C)C)N2CCCC2=O)n[nH]c1=S 71846974 UAQRMGGEGNBBAJ-GFCCVEGCSA-N 325.438 1.224 0 40 EDAB COCCN(C)C(=O)Nc1ccc2c(ccn2CC(=O)N(C)C)c1 71883753 ITRPKZVVQSSFJZ-UHFFFAOYSA-N 332.404 1.840 0 40 EDAB CNS(=O)(=O)c1cc(NC(=O)N[C@H](C)CCOC)ccc1C 71853363 YCYJLRWLIPYBNG-LLVKDONJSA-N 329.422 1.450 0 40 EDAB COCCNC(=O)CNC(=O)c1cccc(Br)c1Cl 97236108 QIFKUGVCDRPFHU-UHFFFAOYSA-N 349.612 1.595 0 40 EDAB Cc1ccc(-c2csc(NC(=O)C[C@H]3NC(=O)NC3=O)n2)cc1 97597453 RYDYPTLUKIISFY-SNVBAGLBSA-N 330.369 1.655 0 40 EDAB Cn1ncc(C(=O)N2CCCN(c3cccnn3)CC2)c1C1CC1 78766561 FCVBCRCLAKPLJF-UHFFFAOYSA-N 326.404 1.440 0 40 EDAB CCC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 84740161 IXJYPZGTIHITIZ-LLVKDONJSA-N 331.438 1.200 0 40 EDAB CC[C@H]1CN(C(=O)Cc2noc3ccccc23)C[C@@H]1N1CCOCC1 84735892 ZFBFRPTWBZILSD-YOEHRIQHSA-N 343.427 1.940 0 40 EDAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 78883451 FWSDWXDKPCSRAB-INIZCTEOSA-N 345.374 1.770 0 40 EDAB NC(=O)NC(=O)CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 95433534 PPOMEUPBQYWRSI-UHFFFAOYSA-N 344.337 1.412 0 40 EDAB NC(=O)CN1CCC(N[C@@H](CCc2ccccc2)C(F)F)CC1 95466836 WRKAZFMESORKJY-HNNXBMFYSA-N 325.403 1.792 0 40 EDAB COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)CCN1CCCC1=O 95414046 GDYUIJNCZIKJOU-HNNXBMFYSA-N 344.333 1.872 0 40 EDAB CS(=O)(=O)NCCN1CCC[C@@H](Oc2ccccc2Cl)C1 95434289 ZVQFBSFNCDEMPM-GFCCVEGCSA-N 332.853 1.732 0 40 EDAB CCN(CC)C(=O)N1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC1 95411669 JMHIGSUYJWHVFO-CYBMUJFWSA-N 333.436 1.436 0 40 EDAB C[C@H](C(=O)N(C[C@H]1CN(C)CCO1)c1nccs1)n1cccn1 95402118 XQWNCVHYTZUIJU-CHWSQXEVSA-N 335.433 1.264 0 40 EDAB O=C1N[C@]2(CCOC2)C(=O)N1Cc1ccc(Br)s1 95439416 QQCKMNJHKXLYGS-NSHDSACASA-N 331.191 1.722 0 40 EDAB CCS(=O)(=O)c1ccc(CNc2cnn(C)c(=O)c2Cl)cc1 95990625 VYFQQTPVRVJWMC-UHFFFAOYSA-N 341.820 1.839 0 40 EDAB Cc1c(C(=O)N[C@@H]2CCN(C3CC3)C2=O)cnn1Cc1ccccc1 89544841 KCVOVKSLBAGAMZ-QGZVFWFLSA-N 338.411 1.733 0 40 EDAB O=C(NCc1nc(C2CC2)no1)Nc1cc(C(F)(F)F)c[nH]c1=O 75123155 SKJQSQOQBJGARB-UHFFFAOYSA-N 343.265 1.976 0 40 EDAB Cc1cc(C)nc(CCNC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 75122245 UXFCSGAWYAZZKV-UHFFFAOYSA-N 329.404 1.440 0 40 EDAB O=S(=O)(CC[C@@H]1CCCO1)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 89819174 HWMJCSSMICMAJL-VGWMRTNUSA-N 328.478 1.301 0 40 EDAB COc1cccc([C@@H](CNC(=O)N[C@@H](C)Cn2cccn2)N(C)C)c1 89904375 GALLJPSDLPBHCK-WMLDXEAASA-N 345.447 1.882 0 40 EDAB O=C1CN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)CCN1 33225002 IQDSYVKSBMCILN-UHFFFAOYSA-N 332.335 1.157 0 40 EDAB O=C(Cc1ccc(F)cc1)NCCNc1cc(-n2cccn2)ncn1 35597292 QNZWYXLVLRRNKG-UHFFFAOYSA-N 340.362 1.572 0 40 EDAB CCc1nnc2ccc(N3CCN(C(=O)c4ccsc4)CC3)nn12 68668956 NOFSIQNTCSGADW-UHFFFAOYSA-N 342.428 1.711 0 40 EDAB COCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408709861 YIURCDIGJJVVAQ-UHFFFAOYSA-N 347.415 1.450 0 40 EDAB Cn1cc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3CC2CC2)cn1 306132202 LBODDSVSFYPIDF-IRXDYDNUSA-N 325.416 1.513 0 40 EDAB CCOC(=O)c1cccc(NC(=O)CSc2nc(=O)[nH]nc2C)c1 31773538 NOJNNWRIDPZTIM-UHFFFAOYSA-N 348.384 1.381 0 40 EDAB Cc1ccc(CCCC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)s1 79536546 ZEQYSRYWKYWJPI-CYBMUJFWSA-N 344.502 1.919 0 40 EDAB C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CN1C1CC1 531484040 XOUCZZYEZQDKTB-UKTARXLSSA-N 343.493 1.267 0 40 EDAB CCOC[C@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(F)cc1 218558320 FEULHMJOOJEMCV-SGMGOOAPSA-N 331.434 1.645 0 40 EDAB O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc(N2CCC(O)CC2)cc1 73476739 HQTXVAWRYXIKHK-KRWDZBQOSA-N 343.471 1.862 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)c(=O)[nH]1 74684942 UCLAZRCELNXDGY-OAHLLOKOSA-N 325.368 1.609 0 40 EDAB COc1ccc([C@H]2[C@@H](C(=O)N3CCN(C)CC3)CCC(=O)N2C)cc1 72242065 CIHKICFBVGFCDJ-WMZOPIPTSA-N 345.443 1.379 0 40 EDAB COCC(=O)Nc1ccc([C@@H]2NC(=O)c3ccc(C)nc3N2C)cc1 72341161 XZHDFVDNKYJFAY-MRXNPFEDSA-N 340.383 1.853 0 40 EDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(F)cc1 71980114 OLKRMAKYJQPODC-CQSZACIVSA-N 336.363 1.563 0 40 EDAB COC[C@@H]1CN(c2nnc(-c3c(C)nc4ccccn34)n2C)CCO1 566219581 DLPGDXYYFALOJK-ZDUSSCGKSA-N 342.403 1.290 0 40 EDAB O=C([C@H]1OCCc2ccccc21)N1CCO[C@@H](Cn2cccn2)C1 133102577 HNDKDGHXYAIUOJ-WBVHZDCISA-N 327.384 1.425 0 40 EDAB CCCn1nc(C(=O)Nc2ccc(N3CCOCC3)nc2)ccc1=O 40037518 XAOWBVQHBWVPDE-UHFFFAOYSA-N 343.387 1.137 0 40 EDAB CNC(=S)Nc1nc(OC)cc(N2CCc3ccccc3C2)n1 225877897 QIOHKGOEWBQURF-UHFFFAOYSA-N 329.429 1.964 0 40 EDAB CCCC[C@@H](CC)CNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 224072941 POCHJJIKFFERKH-CQSZACIVSA-N 347.525 1.837 0 40 EDAB Cn1ncc2c(N)nc(N3C[C@@H](O)C[C@@H]3c3ccc(F)c(F)c3)nc21 569513102 OGQNEUURMBKLDC-TVQRCGJNSA-N 346.341 1.536 0 40 EDAB C[C@H](C(=O)N(C)C)S(=O)(=O)NCC1(c2ccc(F)cc2)CCC1 193882482 SFEKCYVNWFVURO-GFCCVEGCSA-N 342.436 1.644 0 40 EDAB COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)NC[C@H](C)Cn1cccn1)C2 225457941 AWJZEEOTHUHKDP-HDMKZQKVSA-N 348.447 1.894 0 40 EDAB COc1cc(NC(=O)C[C@@H]2Cn3nc(C)nc3NC2=O)cc(OC)c1 40386703 OZNGVVJSKVNDQQ-SNVBAGLBSA-N 345.359 1.201 0 40 EDAB O=C(/C=C/c1ccco1)NCCn1c(=O)[nH]c2ccsc2c1=O 225804964 XVSCVAWFUVGTMI-ONEGZZNKSA-N 331.353 1.174 0 40 EDAB Cc1noc([C@H]2CCN(C(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)n1 332788691 JMPFDJWHHRCDDA-UONOGXRCSA-N 342.403 1.551 0 40 EDAB Cn1ncc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c1C(F)F 576456431 MMJNBMDCTFPSDD-UHFFFAOYSA-N 327.291 1.626 0 40 EDAB Cc1nc2c(C(=O)N3CCN[C@H](Cc4ccccc4)C3)ccnc2[nH]1 1586883711 OQDSMHMXKQNAJC-OAHLLOKOSA-N 335.411 1.923 0 40 EDAB CCS(=O)(=O)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 96042483 LARLNIOZNPUUOP-KFWWJZLASA-N 326.418 1.180 0 40 EDAB NC[C@H]1CN(c2ccc(I)c(F)c2)C(=O)O1 95937770 FKFIPBBFIQKWOE-ZETCQYMHSA-N 336.104 1.714 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ncc(F)cn2)C1 96244407 HICHSIPGEHTRGI-KRWDZBQOSA-N 344.394 1.458 0 40 EDAB COCCN1CC[C@]2(COCCN(Cc3cccnc3OC)C2)C1 96201984 PCXQCTNZODVUKN-SFHVURJKSA-N 335.448 1.261 0 40 EDAB C[C@@H](NC(=O)N1CCN(Cc2ccccn2)CC1)C(C)(C)CN(C)C 97096576 XNBHZKHBSPKOMS-MRXNPFEDSA-N 347.507 1.885 0 40 EDAB Cc1nc(C2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n[nH]1 96404579 PHLHMMDVHMDZBQ-UHFFFAOYSA-N 348.428 1.616 0 40 EDAB CCOC[C@@H]1C[C@]2(COCCN2C(=O)Cc2ccc(OC)cc2)CO1 96078590 UMGNMDCOWLLRLX-HKUYNNGSSA-N 349.427 1.661 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 96076544 LLCMZMWIWGXGEU-MAUKXSAKSA-N 346.431 1.101 0 40 EDAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CCc2[nH]ncc2C1 96436018 XUMJWSKRECUZMH-QGZVFWFLSA-N 340.427 1.586 0 40 EDAB Cc1nc([C@H](C)NC(=O)CN2CCN(c3ccccn3)CC2)cs1 96436405 GKOOGQUPSAMOAT-ZDUSSCGKSA-N 345.472 1.846 0 40 EDAB CN(c1ncccn1)[C@@H]1CO[C@@]2(CCN(Cc3nccn3C)C2)C1 96219776 YOTNULLIKUBERT-YOEHRIQHSA-N 328.420 1.080 0 40 EDAB COCCNC(=O)c1nc(-c2cn(CC3CC3)cn2)n2ccccc12 96266935 LBBKFUOQBRMAHZ-UHFFFAOYSA-N 339.399 1.984 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H](C(=O)NC(C)C)C3(CCOCC3)C2)o1 96240770 OHSTZWXBCZCCHS-AWEZNQCLSA-N 334.416 1.981 0 40 EDAB Cc1cc(C)c(Br)c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 97377760 FOSFHIQCYPCLSL-JTQLQIEISA-N 346.246 1.983 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(COCCN(CC3CCOCC3)C2)C1 96062380 OGDHHKOMVIKGIM-LJQANCHMSA-N 348.491 1.371 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1C 583616395 NKSHMJONAWMCME-BBWFWOEESA-N 339.457 1.854 0 40 EDAB CN1C(=O)C[C@@H](NCc2cnn(-c3ccccc3)n2)[C@@H]1c1cccnc1 583616555 KWWYBEPXQFJGMZ-MJGOQNOKSA-N 348.410 1.724 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCO[C@@H](CCc2ccncn2)C1 257259502 KYQUGLMHHYRAJB-AWEZNQCLSA-N 337.383 1.827 0 40 EDAB COc1ccc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)cn1 257236179 HBCABBDYFQNGCI-OAHLLOKOSA-N 342.399 1.765 0 40 EDAB CCc1nccn1CC(=O)N1CCC[C@H](Cc2nccnc2NC)C1 257331573 XTKRTPJWHLRSIQ-CQSZACIVSA-N 342.447 1.759 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1ncoc1C 257241500 HYGJGIPRPJDURU-AWEZNQCLSA-N 343.387 1.695 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1nccn1C 585113908 WJQOKNUFUGMBKJ-ZBFHGGJFSA-N 327.432 1.905 0 40 EDAB CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1ccoc1CC(=O)O 585134248 JUNOFNQSDAPARX-UHFFFAOYSA-N 334.372 1.380 0 40 EDAB Cc1c(NC(=O)[C@H]2COCCO2)cc(Br)cc1C(=O)O 585134071 COCZOEUUHIWGKF-LLVKDONJSA-N 344.161 1.810 0 40 EDAB COc1ccc(C(=O)N2CCO[C@H](c3nc(C)cc(O)n3)C2)cc1F 257290758 QEEZCRXGZYJOTB-AWEZNQCLSA-N 347.346 1.852 0 40 EDAB CN1CCn2c(nnc2[C@@H]2CCCCN2C(=O)c2ccccn2)C1 257208602 BMVQBDLETRPGDW-AWEZNQCLSA-N 326.404 1.486 0 40 EDAB Cc1cncc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)c1 257305545 SQMNJSYZWLUKTR-GOSISDBHSA-N 341.415 1.284 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1nccn1C 257305467 SQEALPGPQBDLRG-INIZCTEOSA-N 328.416 1.834 0 40 EDAB CO[C@@H]1[C@@H](C)[C@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1(C)C 272016635 WVMUZELDWCOECP-NZVBXONLSA-N 340.445 1.983 0 40 EDAB COC(=O)Cc1ccc(CNS(=O)(=O)C[C@H](OC)C(C)C)cc1 599382685 SSBLQGVRAYWTRC-HNNXBMFYSA-N 343.445 1.493 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C(F)(F)F)C2)o1 606863042 LAXHUDADAVAOMX-QMMMGPOBSA-N 327.280 1.086 0 40 EDAB C[C@@H](NS(=O)(=O)CCn1cnnn1)c1cccc(C(F)(F)F)c1 1616038929 SHZZFYQYBPNVBN-SECBINFHSA-N 349.338 1.373 0 40 EDAB CN(Cc1nccs1)C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O 292374412 ZJLDEZCSCXQRNG-GHMZBOCLSA-N 331.463 1.640 0 40 EDAB CC(=O)N1CCc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C1 96025695 ANNJLFJZVJSLCG-UHFFFAOYSA-N 334.401 1.126 0 40 EDAB Cc1cccc(C(=O)N2CC3(C2)CN(C)[C@@H](C(=O)NC(C)C)CO3)c1 575406175 VWUHMYKYFUXCEE-MRXNPFEDSA-N 345.443 1.045 0 40 EDAB O=C(CCCn1cccn1)N1CC[C@](O)(COc2ccc(F)cc2)C1 585270873 CESBFKCOZAJPLP-GOSISDBHSA-N 347.390 1.845 0 40 EDAB C/C=C/C(=O)O[C@@H]1C=C[C@H](O)[C@H](OC(C)=O)CCC(=O)O[C@H]1C 585660617 GXBAKQFLYWSOJH-GPGBKLIXSA-N 326.345 1.049 0 40 EDAB biogenic,in-vitro C[C@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)C1CCC1 585097375 JUFLSJKPSRTOKU-LBPRGKRZSA-N 330.432 1.798 0 40 EDAB CC(=O)N1CCC(N2CCC[C@@](O)(COc3ccccc3)C2)CC1 585269255 MZZUZHUHSPSPJE-IBGZPJMESA-N 332.444 1.903 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](c2cnn(C)c2)c2noc(C)n2)cc1 585142457 WYFCPBQJEIEWPQ-AWEZNQCLSA-N 347.400 1.488 0 40 EDAB CC(=O)NC1(C(=O)N2CCN(c3ccncc3)CC2)CCCCC1 58268065 RCPFHLTUQYAABO-UHFFFAOYSA-N 330.432 1.569 0 40 EDAB Cn1c(CNC2(c3ccc(F)cc3)CCOCC2)cc(=O)n(C)c1=O 69771760 WOBBKLQUOVKWBH-UHFFFAOYSA-N 347.390 1.019 0 40 EDAB CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccc(COC)cc1 107323929 LIQRCTZDIWNDDY-DLBZAZTESA-N 340.489 1.983 0 40 EDAB O=C1[C@H](N2CCC(n3cncn3)CC2)CCN1c1ccccc1F 78670783 HSLRIKRPZVIDLQ-MRXNPFEDSA-N 329.379 1.860 0 40 EDAB Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)c2cccs2)cn1 90446870 PBMKDVWTHVOXJC-GFCCVEGCSA-N 339.442 1.908 0 40 EDAB O=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2cccs2)C1 96378552 DFQFDKUPRNGQEQ-UHFFFAOYSA-N 349.499 1.869 0 40 EDAB O=C(NCCOc1ccccc1)NCC1(N2CCOCC2)CCC1 1775974374 ZYCYGYYTVGNBOK-UHFFFAOYSA-N 333.432 1.620 0 40 EDAB CCN1CCC[C@@H](Sc2nc3c([nH]2)c(=S)n(C)c(=O)n3C)C1 5979393 APLDNAXBEDLBDA-SECBINFHSA-N 339.490 1.906 0 40 EDAB Cc1cccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1 5740285 BIPZGQXDPRMCEE-UHFFFAOYSA-N 348.380 1.438 0 40 EDAB O=C(C[C@@H]1CSc2nccc(=O)n21)N1CCc2ccccc2C1 12236141 RAKBMEBSNASVNB-CQSZACIVSA-N 327.409 1.865 0 40 EDAB CC(=O)N1C[C@H](NC(=O)c2ncccc2O)CC[C@H]1C(F)(F)F 583619986 FOLVEUGTFKXPOX-KOLCDFICSA-N 331.294 1.459 0 40 EDAB CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](F)[C@H]1OC(C)=O 1771591580 JMEMYKBTQDHFEB-HLPPOEQASA-N 340.303 1.401 0 40 EDAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)c3cc(C)on3)[C@@H](C)C[C@H]21 1775964340 HIBXXUAJOVCKQZ-MUYACECFSA-N 335.404 1.232 0 40 EDAB biogenic,in-vitro FC(F)(F)c1cc(OC2CN(Cc3nnc4n3CCC4)C2)ccn1 1776008322 CUYPDTHCAWYWTK-UHFFFAOYSA-N 339.321 1.901 0 40 EDAB COc1ccccc1S(=O)(=O)N1CC[C@@H](Oc2nccs2)C1 245020832 MJEVXGAEIPQLDK-LLVKDONJSA-N 340.426 1.994 0 40 EDAB Cc1ncsc1CN1CCC2(CC1)C[C@H](N(C)C)[C@@](C)(O)CO2 2037849753 DRYIHCYVRMWDNR-HOTGVXAUSA-N 339.505 1.888 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@H]2NC(=O)C1CC(F)(F)C1 1614936882 HDYLYEVKZJKXTL-LLVKDONJSA-N 325.359 1.924 0 40 EDAB CCc1ccc(C(=O)N2CCC3(CC(NS(C)(=O)=O)C3)C2)cn1 1565553420 YFSYZCIXZBCLLB-UHFFFAOYSA-N 337.445 1.188 0 40 EDAB O=C(NCC1CC1)c1ccc2n1CCN(C(=O)c1csnn1)CC2 1565545161 WUYYCJVHEOBXHE-UHFFFAOYSA-N 345.428 1.178 0 40 EDAB O=c1c(=O)n2c(nn1Cc1ccccc1F)N(c1ccccc1)CC2 8848751 QCVCECFMAHAQMO-UHFFFAOYSA-N 338.342 1.744 0 40 EDAB Cc1nc(CN2CCC[C@@](C(=O)N(C)C)(n3cccn3)C2)cs1 2055771642 OGPWWQDCBNPEFI-MRXNPFEDSA-N 333.461 1.728 0 40 EDAB CC(C)C(=O)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055772943 AZVYPBHNLKKLRD-UHFFFAOYSA-N 346.353 1.535 0 40 EDAB CC(C)CNC(=O)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055716052 UNGGIWMLEOUGAY-ZDUSSCGKSA-N 332.448 1.890 0 40 EDAB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(Cc2cn[nH]c2)C1 2055751253 ARUQBPRBLNQABJ-SFHVURJKSA-N 327.432 1.945 0 40 EDAB Cn1cnc2c(NC[C@@H](c3ccsc3)N3CCOCC3)ncnc21 1775972659 PZJZVRGANYATHR-ZDUSSCGKSA-N 344.444 1.910 0 40 EDAB CCOc1ccccc1CCC(=O)N1CC(N2C(=O)CSC2=O)C1 585325539 WTQGBACMYGXYSC-UHFFFAOYSA-N 348.424 1.924 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)Cc1ccco1 206620918 SNCBITMCFSRTHA-KRWDZBQOSA-N 334.347 1.145 0 40 EDAB CCc1nnsc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 28319814 OXBRVTGNUKDRBG-SECBINFHSA-N 339.442 1.995 0 40 EDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCCCn1cccn1 30171710 XDFKLPCRGWJFOQ-SFHVURJKSA-N 342.443 1.773 0 40 EDAB CC1=C(C(N)=O)[C@H](c2cccs2)N2NC(c3cccnc3)=NC2=N1 73465 LFAZWNLQFDSYON-ZDUSSCGKSA-N 338.396 1.580 0 40 EDAB CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CCCCCC1 40498585 MUVZIPGNFUIYJI-UHFFFAOYSA-N 344.415 1.427 0 40 EDAB CCCCn1nc(C(=O)N2CC(=O)Nc3ccccc32)ccc1=O 40460003 OFHBJMHICYBDHZ-UHFFFAOYSA-N 326.356 1.642 0 40 EDAB CC(C)N1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cn2)CC1=O 40511974 HDWDVMTUYQOWGI-CYBMUJFWSA-N 332.404 1.114 0 40 EDAB Cn1c(C(=O)NC2CCN(CC(N)=O)CC2)cc(Cl)c1Cl 45979327 WULPLZVOBNBGKY-UHFFFAOYSA-N 333.219 1.011 0 40 EDAB Cc1nn2c3c(sc2nc1=O)C(=O)N(c1ccccc1Cl)C3=O 113479 PLDPEZCBJHWIAW-UHFFFAOYSA-N 346.755 1.913 0 40 EDAB CCOC(=O)c1cnn(-c2ncnc3c2cnn3-c2ccccc2)c1N 125902 BLHPTMRXNXMMET-UHFFFAOYSA-N 349.354 1.760 0 40 EDAB Cc1cc(N2CCOCC2)nc(SCC(=O)NCc2ccco2)n1 2699377 GGFIHBYMOTXLPG-UHFFFAOYSA-N 348.428 1.623 0 40 EDAB CN(C)c1ncccc1CNC(=O)Cc1ccc2c(c1)OCCO2 32685725 JIIMGLANCPQISI-UHFFFAOYSA-N 327.384 1.778 0 40 EDAB COc1cc2c(cc1OC)[C@@H]1C[C@]3(CCN1CC2)CC(=O)NC3=O 1612269 IEEDLAUTWDHEGT-SCLBCKFNSA-N 330.384 1.430 0 40 EDAB CC(=O)C[C@@H]1C[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](C(C)=O)[C@@H]1C(C)=O 3852630 XLWBUYJUDZPCSS-SYQHCUMBSA-N 344.371 1.070 0 40 EDAB COc1ccc(Cn2nnnc2S[C@@H]2CCCCNC2=O)cc1 32871741 JFSNNHGHSWEZMK-CYBMUJFWSA-N 333.417 1.491 0 40 EDAB COc1cc2nc(CN3CCCC[C@H]3CO)[nH]c(=O)c2cc1OC 32819309 XLXIUBZGGIBJGO-NSHDSACASA-N 333.388 1.287 0 40 EDAB CCN(CC)C(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 6891303 WNNPLFXPCYUTNY-UHFFFAOYSA-N 332.853 1.970 0 40 EDAB COCCOC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 6905216 HYEFONGUWFNFHM-UHFFFAOYSA-N 336.348 1.927 0 40 EDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 7375757 GPQUNKVVSYBKOZ-CQSZACIVSA-N 339.413 1.853 0 40 EDAB O=S(=O)(NCCCn1cncn1)c1ccc(Br)cc1 41630306 LASPEXRLEZBGJP-UHFFFAOYSA-N 345.222 1.409 0 40 EDAB Cc1csc(N(C)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 103297672 RTKOIPOWBZQXPR-XRRVDJEJSA-N 331.397 1.221 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]3c3noc(C)n3)nc2n1 76043107 BRLCXXBHJMBOIV-LLVKDONJSA-N 327.348 1.410 0 40 EDAB CN1CCN(C(=O)c2nnc3sc(-c4ccccc4)nn23)CC1 57354689 UYXUPYKGKRZEKF-UHFFFAOYSA-N 328.401 1.240 0 40 EDAB O=C(NCCNc1ncccn1)c1ccc(N2CCCC2=O)cc1 47106563 IHKCXOMLKOHNGZ-UHFFFAOYSA-N 325.372 1.445 0 40 EDAB Cc1nn(C)c2ncc(C(=O)OCc3nnnn3-c3ccccc3)cc12 24199118 WYMLYXZDRFCOOV-UHFFFAOYSA-N 349.354 1.609 0 40 EDAB CN(C)C(=O)COc1cccc(NC(=O)N(C)Cc2cnn(C)c2)c1 47580400 RMNSMVMDGAZLGP-UHFFFAOYSA-N 345.403 1.551 0 40 EDAB CN(C)c1ncccc1CNC(=O)c1ccc(N2CCNC2=O)cc1 43051217 QFVKLZQRJKANRW-UHFFFAOYSA-N 339.399 1.607 0 40 EDAB Cc1cccc(Cn2cc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cn2)c1 102014886 GPJXSXZTXRZBOT-LUKYLMHMSA-N 337.379 1.907 0 40 EDAB COc1ccnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 47694047 YNUQMMIDSIXQGW-UHFFFAOYSA-N 346.362 1.352 0 40 EDAB NC1=N[C@H](c2ccc(OCC(=O)O)cc2)n2c(nc3ccccc32)N1 1432053 LGTIGIQJEPXFAO-HNNXBMFYSA-N 337.339 1.787 0 40 EDAB NC(=O)[C@H](NC[C@H]1CCCN1c1cccnn1)c1ccc(F)cc1 106906370 WZROXINLSVHWNB-GDBMZVCRSA-N 329.379 1.401 0 40 EDAB C[C@@H](COc1ccc(F)cc1F)NC(=O)N1CC[C@H](C(N)=O)C1 56897853 BIEXNROKIGNIIR-UWVGGRQHSA-N 327.331 1.249 0 40 EDAB CS(=O)(=O)c1ccc(F)c(NCC(=O)NCc2ccccc2)c1 26789012 YDGDYLSWSUWZFR-UHFFFAOYSA-N 336.388 1.958 0 40 EDAB NC(=O)C1(CNC(=O)c2ccc(Br)o2)CCOCC1 47930914 XIYWDMMFOKOPPC-UHFFFAOYSA-N 331.166 1.054 0 40 EDAB COc1cc2ccccc2cc1C(=O)OCC(=O)N1CCOCC1 3229885 VCVIEHAEWKJANZ-UHFFFAOYSA-N 329.352 1.864 0 40 EDAB O=C(CCc1nc(-c2cccnc2)no1)N[C@H]1CCc2nccn2C1 97197889 IBKZTOKIECNWHA-ZDUSSCGKSA-N 338.371 1.392 0 40 EDAB Cn1nccc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 108532190 JCAQDNJUMOMQEV-GDBMZVCRSA-N 338.402 1.890 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NC[C@H](c1ccco1)N1CCCC1 44891302 PKLVOQUIJDSJJT-OAHLLOKOSA-N 331.420 1.992 0 40 EDAB CN(Cc1cnn(C)c1)C[C@@H](O)COCc1ccc2c(c1)OCO2 44890593 AOQBZEXDHGJWNO-OAHLLOKOSA-N 333.388 1.158 0 40 EDAB Cc1cc2n(n1)C[C@H](CNC[C@H](O)CO[C@@H](C)c1ccccc1)CN2 58299933 YVMHKCCLAPZDNQ-JZXOWHBKSA-N 344.459 1.962 0 40 EDAB O=C1CCSc2ccc(C(=O)NCCNc3ncccn3)cc2N1 44942912 WMWPHNRCXWZDHC-UHFFFAOYSA-N 343.412 1.753 0 40 EDAB C[C@H](NC(=O)COCC(F)(F)F)c1ccc(S(N)(=O)=O)cc1 44942610 DJOALJQTDIUCGS-QMMMGPOBSA-N 340.323 1.090 0 40 EDAB CC(=O)N1CCCN(C(=O)NC[C@@H](c2cccs2)N(C)C)CC1 44966428 PIUAHFWHOQIGQJ-AWEZNQCLSA-N 338.477 1.615 0 40 EDAB COc1ccc(CC(=O)N(C)CC(=O)NCC(F)(F)F)cc1OC 44952818 SODPXVWCHWQCHX-UHFFFAOYSA-N 348.321 1.383 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)N1CCN(C[C@H]2CCCO2)CC1 58305010 DEYHPDFNLKRQDS-MRXNPFEDSA-N 335.452 1.157 0 40 EDAB Cc1cccc(NC(=O)CN(C)CC(=O)N[C@H]2CCCC[C@@H]2C)n1 58343642 PYGKNMUFZLXKAD-ZFWWWQNUSA-N 332.448 1.955 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NC1CCN(c2ncccn2)CC1 48275432 QAEOXPKZVMGDLG-ZDUSSCGKSA-N 329.408 1.030 0 40 EDAB CN(Cc1ccco1)C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 45536512 LHJHUXZNKVSRPD-GDBMZVCRSA-N 337.420 1.158 0 40 EDAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H]1CCS(=O)(=O)C1 12770814 NENLUSHOVUUGHS-LBPRGKRZSA-N 336.417 1.238 0 40 EDAB COc1cccc([C@@H](NC(=O)c2ccc[nH]c2=O)c2nccn2C)c1 29096886 BXRIVWKWMRMJDQ-OAHLLOKOSA-N 338.367 1.636 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 48362367 HDZHZICFRLAMIC-MRXNPFEDSA-N 332.400 1.281 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)NCCCN1CCN(C)CC1 48343904 XKBXPEQHGWHNNJ-UHFFFAOYSA-N 345.896 1.564 0 40 EDAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)no1 3444142 IHKKRAKWIIVRDA-UHFFFAOYSA-N 348.363 1.825 0 40 EDAB Cn1nc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)ccc1=O 13173080 BBDFNQDHECYKLZ-GFCCVEGCSA-N 335.747 1.380 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)CCc2c(C)nn(C)c2C)cc1 8748181 KGJPFPRMXYEUGP-UHFFFAOYSA-N 342.443 1.988 0 40 EDAB Cc1cc(C)c(CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)c(C)c1 64927505 DPZJWGGVSFVOJP-AWEZNQCLSA-N 338.429 1.467 0 40 EDAB CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 8991884 JLXFOVUVDVSCTF-QWHCGFSZSA-N 342.417 1.490 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)c1ccc(C)c(C)c1 65479418 XAVYEEYMSKFCIG-OAHLLOKOSA-N 333.432 1.310 0 40 EDAB CNC(=O)CCN(C)C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 65503815 ABNWSMPXPHFXMY-AWEZNQCLSA-N 331.416 1.251 0 40 EDAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)NCCCC(N)=O)c1 65594105 BKITZVLKPPLSIF-AWEZNQCLSA-N 335.404 1.816 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(SC(F)F)cc1 14198439 VPNJAMHEEPRBHM-UHFFFAOYSA-N 327.312 1.490 0 40 EDAB CC(C)(C)n1cc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)cn1 93015014 BEEAFDRKBNDLNR-MRXNPFEDSA-N 334.464 1.851 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CO 93020804 AFELIJHEIBSGAH-FZMZJTMJSA-N 329.466 1.326 0 40 EDAB Cc1cc(C)n2nc(C)c(C(=O)N3CCc4nnc(N)cc4C3)c2n1 72279491 QXJIHCDOCGHBOK-UHFFFAOYSA-N 337.387 1.225 0 40 EDAB COCCOC(=O)CCC(=O)NC(=S)Nc1cccc(O)c1 7498595 AZUGYQNLLYFBCQ-UHFFFAOYSA-N 326.374 1.175 0 40 EDAB CC[C@@H](C)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1 68459717 BKVDYNZEPNGKCG-GDBMZVCRSA-N 346.427 1.883 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 7860466 FJVXMORZZMEPOO-SECBINFHSA-N 346.412 1.668 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1nnc2ccccc2c1=O 7888262 WZSGHLANRRNINU-AAEUAGOBSA-N 343.387 1.196 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)N(C)C 69347617 JPBTXZGSUYCTLD-JSGCOSHPSA-N 347.415 1.086 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)n1 69453474 LEBHHSVCVVPQGX-LOUJCGABSA-N 349.479 1.384 0 40 EDAB O=C(CN1C(=O)c2ccccc2CS1(=O)=O)Nc1ccc(F)cc1 69516985 OEVPXYYUTWJXOZ-UHFFFAOYSA-N 348.355 1.750 0 40 EDAB CCn1cc(CN2CCCN(C(=O)Cc3csc(C)n3)CC2)cn1 69659183 UTBYVUZJXFCTMU-UHFFFAOYSA-N 347.488 1.945 0 40 EDAB CC1CCC(NC(=O)CN2CCN(Cc3cccnc3)CC2)CC1 69667956 YTGQIEJWUNSWOW-UHFFFAOYSA-N 330.476 1.894 0 40 EDAB CCS(=O)(=O)NCCNC(=O)N[C@H]1C[C@H]1c1ccccc1Cl 69619305 DGEBCQIFTUTSFP-AAEUAGOBSA-N 345.852 1.434 0 40 EDAB CON(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 17793039 GGBHMPCPXQJNIO-UHFFFAOYSA-N 330.381 1.246 0 40 EDAB COc1ccc(-c2nc(CNC(=O)c3cc(C(C)=O)c[nH]3)n[nH]2)cc1 71800020 MRMVOYUVWSYAQO-UHFFFAOYSA-N 339.355 1.941 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)N1CCC[C@H]1c1cccs1 71871721 ZNGUROHSRCSPJZ-OLZOCXBDSA-N 331.445 1.608 0 40 EDAB CN(Cc1cc(=O)n2ccccc2n1)[C@@H]1CCN(c2ccccc2)C1=O 71893020 AKQVIZWYTKMPSG-QGZVFWFLSA-N 348.406 1.932 0 40 EDAB CN1C(=O)C[C@H](C(=O)NNc2ncccn2)[C@@H]1c1cccc(Cl)c1 71908813 CTNFWHGDHAPTNO-JSGCOSHPSA-N 345.790 1.793 0 40 EDAB COc1cc(C(=O)N[C@@H]2CCOC2)cc(OC)c1Br 83921264 VMWRKIHFUILXMK-SECBINFHSA-N 330.178 1.985 0 40 EDAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCN([C@H](C)C(=O)NC(C)C)CC1 97372645 KLDVUPJRKKEDOO-SWLSCSKDSA-N 349.479 1.187 0 40 EDAB O=C(c1c(Cl)nc2ccccn12)N1CCN([C@@H]2CCC[C@H]2O)CC1 78789101 ILZYYEPVECVKJI-CHWSQXEVSA-N 348.834 1.659 0 40 EDAB CC(C)[C@H](Sc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1 78737119 XTTBRHNQVSEJRC-KRWDZBQOSA-N 349.500 1.869 0 40 EDAB CC1CCN(C(=O)c2ccc(NC(=O)NC[C@H](O)CO)cc2)CC1 95446518 VWXXESKIJYJPKT-HNNXBMFYSA-N 335.404 1.033 0 40 EDAB CC[C@@H](CO)N1CCN(S(=O)(=O)c2cc(C)cc(F)c2)CC1 95433293 MZWPHTAFRNRXAE-AWEZNQCLSA-N 330.425 1.211 0 40 EDAB CCn1cc(S(=O)(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)cn1 95433424 WSCQDFQWMWLVFA-LLVKDONJSA-N 341.355 1.227 0 40 EDAB O=C(C1CCCC1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 74209854 UQQZSBBUNIJEPK-QGZVFWFLSA-N 332.444 1.761 0 40 EDAB O=C(Cc1cccs1)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306135684 OXTVJHGBUBVIPP-NWANDNLSSA-N 344.440 1.666 0 40 EDAB CC(C)N1C(=O)N[C@](C)([C@H]2CCCN(Cc3nccn3C)C2)C1=O 89869818 HDGPCXQWAYOVGO-SUMWQHHRSA-N 333.436 1.351 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@H]1N(C)C 89948459 LTGYMFUVEFZTSS-CZUORRHYSA-N 328.416 1.195 0 40 EDAB O=C(CCCc1nnc(-c2ccccc2)o1)N1CCN(CCO)CC1 75572437 QUUVIZKKGKGOHP-UHFFFAOYSA-N 344.415 1.196 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)Nc2ccc(-n3nccn3)cc2)C1 75582401 VNQXTZQMYZDVAH-CYBMUJFWSA-N 344.375 1.620 0 40 EDAB O=C(c1c[nH]c2ccccc2c1=O)N1CCS(=O)(=O)C[C@@H]1C1CC1 1548452878 RBSIZPXPRPSXLU-OAHLLOKOSA-N 346.408 1.177 0 40 EDAB COc1ccc2c(CN(C)[C@H]3CCS(=O)(=O)C3)cc(=O)oc2c1 20679316 ZPDARZOUBIVBCZ-LBPRGKRZSA-N 337.397 1.421 0 40 EDAB CCOCCCNC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 409117909 MCSQRYQVJSHCCM-UHFFFAOYSA-N 328.434 1.304 0 40 EDAB Cc1c(F)cccc1NC(=O)[C@@H](CC(N)=O)NC(=O)OCC(C)C 409001116 GYUXZVAPIXJVPC-CYBMUJFWSA-N 339.367 1.699 0 40 EDAB O=C(c1ccccc1)N1CC(CS(=O)(=O)NCc2ccco2)C1 521398250 KVPSATGFPLPQGV-UHFFFAOYSA-N 334.397 1.471 0 40 EDAB NC(=O)C(=O)N[C@H](c1ccccc1)C1(c2ccccc2)OCCO1 3847560 JQNUODYKNBGUFA-OAHLLOKOSA-N 326.352 1.229 0 40 EDAB biogenic CNc1ccc(C[C@H]2CCCN(Cc3cnc(NC)nc3)C2)nn1 72369275 RNPHSXXNERAOHS-CYBMUJFWSA-N 327.436 1.805 0 40 EDAB Cc1nc(-c2ccc(C(=O)N3C[C@H](O)C[C@H]3C(N)=O)cc2)cs1 529766678 LRGSFWUJADNDQL-OCCSQVGLSA-N 331.397 1.179 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC(O)(Cc2ccncc2)CC1 536100518 XUXORVJQICSQEM-UHFFFAOYSA-N 329.400 1.825 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCS(=O)(=O)CC(C)C)C2 72279017 YCIISDKPIBQBQY-ZDUSSCGKSA-N 327.450 1.083 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 72368816 RYTISOISRBXHBQ-GFCCVEGCSA-N 345.428 1.865 0 40 EDAB CC[C@H](C)N1CC(=O)N(c2cccc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773613 AKJYQGZRJMFUJR-CWRNSKLLSA-N 336.457 1.608 0 40 EDAB Cc1nnnn1-c1cccc(C(=O)NCCNC(=O)OC(C)(C)C)c1 71288638 KNWWOVNAWCUHRD-UHFFFAOYSA-N 346.391 1.225 0 40 EDAB Cc1ccc(CN2CCC(C(=O)N3CCN(C=O)CC3)CC2)cc1 39749774 XFRBMBXEKNMRKY-UHFFFAOYSA-N 329.444 1.508 0 40 EDAB Cc1nnc(NC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)s1 70655748 VGDCBIYCVCCDIO-UHFFFAOYSA-N 338.339 1.835 0 40 EDAB CCc1nc2n(n1)[C@H](CC(=O)Nc1cc(OC)ccc1OC)C(=O)N2 31816055 CETLAJQYTSSRTQ-LLVKDONJSA-N 345.359 1.380 0 40 EDAB CCc1[nH]c(C(=O)OCC(=O)N2CCCCC2)c(C)c1C(=O)OC 32877601 OTDSQTHYACVWQX-UHFFFAOYSA-N 336.388 1.841 0 40 EDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)n1 71284482 BNOJIRMBDNMJAK-CHWSQXEVSA-N 343.387 1.883 0 40 EDAB O=S(=O)(Cc1ccccc1)Nc1ccc(N2CCOCC2)nc1 39314744 QZXQBBWBEQRFGH-UHFFFAOYSA-N 333.413 1.860 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccnc1Oc1ccccc1 44873787 QTYAZZPEKAQOGC-GFCCVEGCSA-N 332.381 1.791 0 40 EDAB COC[C@@H](O)CN(C)S(=O)(=O)c1cccc2c1OC(C)(C)C2 225710558 VTHMSLLFLGSGKA-LBPRGKRZSA-N 329.418 1.028 0 40 EDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3ccccc3F)C2)nn1 225444592 TVWJHPNMHYHEMC-GFCCVEGCSA-N 330.363 1.975 0 40 EDAB COc1ccc(N(C)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1 226076006 LLQACDMNXRSCOF-UHFFFAOYSA-N 326.418 1.330 0 40 EDAB CC(C)CN1CC[C@@H](CNC(=O)c2cc(N3CCOCC3)ccn2)C1 131761725 VXUDSRNZAIOKDF-INIZCTEOSA-N 346.475 1.626 0 40 EDAB CC(C)c1nncn1CCNc1ccc2nnc(C(F)(F)F)n2n1 80759211 PQRAIDMVQGHOIE-UHFFFAOYSA-N 340.313 1.970 0 40 EDAB COc1ccc(C(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)c(F)c1 573568180 PVDHDAGLQDNLJR-SNVBAGLBSA-N 348.334 1.601 0 40 EDAB C[C@H](Sc1cccnn1)C(=O)N1CCN(C(=O)c2ccco2)CC1 225443673 WMLOHPJICSPBBZ-LBPRGKRZSA-N 346.412 1.535 0 40 EDAB Cn1ccnc1CN1CC[C@H]2OCCN(c3cccnc3)[C@@H]2CC1 96249437 AXGOWZOZIFZGBY-IAGOWNOFSA-N 327.432 1.685 0 40 EDAB CS(=O)(=O)c1cccc(OCCN2CC[C@@H](N3CCCC3)C2)c1 96414856 MYHLFWBHGRWWHX-OAHLLOKOSA-N 338.473 1.639 0 40 EDAB COCCCN(Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 96424204 GGHRALPHQVAACG-ZDUSSCGKSA-N 332.491 1.786 0 40 EDAB Cn1cc(CN2CCC[C@]3(CO[C@@H](C(=O)NCC4CC4)C3)C2)cn1 96224843 XBEOTTRNUDUXIA-SJLPKXTDSA-N 332.448 1.317 0 40 EDAB Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)NC4CCCC4)[C@@H]3C2)cn1 96043341 BOTALVMQODADCI-FGTMMUONSA-N 346.475 1.706 0 40 EDAB O=C(N[C@@H]1CCC[C@@H]1CO)c1ccc(CN2CCC(CO)CC2)cc1 96487142 OHLBVYUJKNKJSN-RTBURBONSA-N 346.471 1.782 0 40 EDAB Cc1ccccc1-n1nccc1NC(=O)C(=O)NCCn1cccc1 95445969 PSGWPVFKEUHANT-UHFFFAOYSA-N 337.383 1.737 0 40 EDAB Cc1ccc(CN2Cc3ncn(C)c3[C@H](COCC(=O)N(C)C)C2)o1 96044868 SEEIEBZDWIBNFC-AWEZNQCLSA-N 346.431 1.526 0 40 EDAB Cc1cccc(OCC(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 583618235 VUYKIMFQVPOFAW-SFHVURJKSA-N 344.415 1.666 0 40 EDAB CC(C)C[C@H](C)OC(=O)NCC1CCN(CC(=O)N(C)C)CC1 583651635 PTRADQPZJZNDPM-AWEZNQCLSA-N 327.469 1.947 0 40 EDAB Cc1nc(C(=O)NCc2nnc3ccc(N4CCCC4)nn23)cs1 244970107 HKAQULBRRGXPHA-UHFFFAOYSA-N 343.416 1.419 0 40 EDAB O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccco1)c1cnccn1 247504198 QUGJCTWPLFNNTM-JQFCIGGWSA-N 342.399 1.479 0 40 EDAB O=S1(=O)CC[C@H](COCc2ccccn2)C12CN(C1CCC1)C2 247307264 HJUXEMRMTNBESG-CQSZACIVSA-N 336.457 1.640 0 40 EDAB O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)Cc2ccccc2)CC1 244210211 VTTPLGZGFPGMQV-KRWDZBQOSA-N 330.428 1.763 0 40 EDAB Cn1cnc(S(=O)(=O)N2CC3(C[C@H](OCC4CC4)CS3)C2)c1 248041072 OGMHRVJVGQQSLT-LBPRGKRZSA-N 343.474 1.095 0 40 EDAB O=C(O)c1ccccc1-c1cnc(Cn2c(O)ncc(F)c2=O)s1 257206424 BDIVWCARCIUWBY-UHFFFAOYSA-N 347.327 1.958 0 40 EDAB CN(C)[C@H]1CN(C(=O)CCc2cc(Br)cs2)C[C@@H]1O 584711287 MAWNPSSRGVZNHT-RYUDHWBXSA-N 347.278 1.577 0 40 EDAB Cc1ncoc1C(=O)N1C[C@H]2CC[C@@H](N(C)c3cccnn3)[C@H]2C1 257266741 MEHODKNERJIWNW-HZSPNIEDSA-N 327.388 1.760 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 257217392 CYTIIKTYAWRRFB-CQSZACIVSA-N 346.387 1.628 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(CCOc2ccccc2)C1 257227659 FQHRPGISOVWOSP-ZDUSSCGKSA-N 335.429 1.682 0 40 EDAB O=C(c1cc2c(nc1O)CCC2)N1CCO[C@@H](c2cnccn2)C1 257208826 BNSUZKCSQVVUKY-OAHLLOKOSA-N 326.356 1.280 0 40 EDAB Cc1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)no1 257230199 GBGVVEBANNHNAQ-CQSZACIVSA-N 329.347 1.291 0 40 EDAB CCOCCS(=O)(=O)N(C)[C@H](c1ccc(F)cc1)c1ncc[nH]1 585114937 FYFWDAYHIJENGH-CQSZACIVSA-N 341.408 1.936 0 40 EDAB O=C([C@@H]1COCCO1)N1CC(Cc2cccc(Br)c2)C1 585128423 AUVYYCBAHKPFIZ-AWEZNQCLSA-N 340.217 1.865 0 40 EDAB COc1ccc(CN2CC[C@@H]2C(=O)NCc2cnn(C)c2C)cc1 585132560 ZSFFQHJOZVIVCD-QGZVFWFLSA-N 328.416 1.628 0 40 EDAB C[C@H]1c2nc(C(=O)N3CCOCC3)cn2CCN1Cc1nccs1 253590478 BOSWGMRQBKFEFV-LBPRGKRZSA-N 347.444 1.389 0 40 EDAB Cc1cn[nH]c1[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1 257337136 YRNPLEKQTHBHMF-CYBMUJFWSA-N 325.365 1.619 0 40 EDAB NS(=O)(=O)c1ccc(CCN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 253369382 BWOPOPUQJREOPL-ARFHVFGLSA-N 336.457 1.424 0 40 EDAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCNC4)nc32)cc1 257244066 IJRYAZSVWQKMBT-CQSZACIVSA-N 338.411 1.960 0 40 EDAB Cn1ccnc(NC(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1=O 274324681 ZPGCQQTUXWDQES-LLVKDONJSA-N 336.392 1.366 0 40 EDAB COc1cc(C)nc(N2CCN(Cc3nccn3C(F)F)CC2)n1 591887532 YZXUOBUDBDKDEK-UHFFFAOYSA-N 338.362 1.707 0 40 EDAB O=C1CCc2cc(S(=O)(=O)N[C@@H]3CCn4nccc4C3)ccc2N1 575607020 WPYPJFWOWONRGV-GFCCVEGCSA-N 346.412 1.061 0 40 EDAB CSc1ccc(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)cc1 575603253 BLMWFFJIWPVUPT-UHFFFAOYSA-N 346.460 1.656 0 40 EDAB Cn1cc(/C=C/C(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)cn1 585289471 HNLOYXREFYRQJD-UCFODXPJSA-N 341.411 1.266 0 40 EDAB Cc1ncc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCCC2)[nH]1 585097417 LMDRULDPMSGVMU-OAHLLOKOSA-N 342.447 1.815 0 40 EDAB Cn1ccnc1C(=O)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585277329 UQCGYFOUWYUZPE-KRWDZBQOSA-N 333.363 1.005 0 40 EDAB C[C@@H](Sc1ccccc1)C(=O)N1CCN(S(C)(=O)=O)CC1 52855285 FYJKMPQTWWQLJD-GFCCVEGCSA-N 328.459 1.271 0 40 EDAB CC(C)N1CCC[C@@H](CNC(=O)Cn2c(=O)n(C)c3ccccc32)C1 58197861 FSQIIKKACCASPF-HNNXBMFYSA-N 344.459 1.577 0 40 EDAB CCS(=O)(=O)NCCCNc1ncnc2cc(F)c(F)cc12 76062878 JPETVBVLRWFXID-UHFFFAOYSA-N 330.360 1.649 0 40 EDAB CC(C)(C)CCCCNC(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 1615588164 OVPHZYSHFRHHFA-PXAZEXFGSA-N 338.452 1.880 0 40 EDAB CCOC(=O)C1=NN[C@H](S(=O)(=O)C(C)(C)C)[C@@H]1c1ccccc1 5048840 BYCRYVXIRAYLCZ-TZMCWYRMSA-N 338.429 1.832 0 40 EDAB Cc1ccc2[nH]c([C@H]3CCCCN3C(=O)Cn3cnnn3)nc2c1 12221579 VJXIDSAIDBKNIN-CQSZACIVSA-N 325.376 1.612 0 40 EDAB Cc1ccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)cc1F 12389311 DLPUESANAKTDLL-UHFFFAOYSA-N 329.335 1.745 0 40 EDAB Cn1ccnc1N1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 12444531 XSSNCOBUGBEDPC-UHFFFAOYSA-N 338.367 1.489 0 40 EDAB CC(=O)c1ccc(N2CCN(c3ccc4nnnn4n3)CC2)c(F)c1 12642564 SDUZWRLQRAQEAE-UHFFFAOYSA-N 341.350 1.188 0 40 EDAB Cc1cnc(-c2nc(O)c3c(n2)CN(C(=O)c2cccnc2)CC3)cn1 13227863 SYDZFIZCDNAFND-UHFFFAOYSA-N 348.366 1.541 0 40 EDAB O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(CC2CC2)C1 15675013 OLGQQYCGPSGCII-OLZOCXBDSA-N 329.356 1.983 0 40 EDAB biogenic,in-vitro Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCC(C)CC1 16249187 QXIABLKPEDKLDL-UHFFFAOYSA-N 327.431 1.485 0 40 EDAB O=C(CN1CCCC1=O)N1CCC(c2cc3ncccc3cn2)CC1 19347396 OCIIOVOPCJFCJL-UHFFFAOYSA-N 338.411 1.958 0 40 EDAB Cc1nc(C)c(C(=O)N2CCO[C@H](C(=O)N3CCCCC3)C2)s1 19747194 ZBIZWEYKXUGYIJ-ZDUSSCGKSA-N 337.445 1.613 0 40 EDAB Cc1ccn(C[C@@H](C)C(=O)N2CC(C(=O)N3CCCCCC3)C2)n1 19748715 YAYWSUOGZHYMBU-CQSZACIVSA-N 332.448 1.689 0 40 EDAB O=S(=O)(N1CCCC1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220786202 LJNVSTJWUMQKKH-LBPRGKRZSA-N 340.449 1.542 0 40 EDAB CC(=O)NC1(c2ccccc2)CCN(c2cc(N)nc(C)n2)CC1 13228081 SFBDODNJGYCJAA-UHFFFAOYSA-N 325.416 1.999 0 40 EDAB C[C@@H]1CCN(C(=O)NCCn2c(=O)oc3ccccc32)C[C@@H]1C(=O)O 564925156 IYFRYCBJUDRYIX-NEPJUHHUSA-N 347.371 1.347 0 40 EDAB O=C(NCCCN1CCOCC1)C1(c2cccs2)CCOCC1 20614723 DRCLMSSTHSSNOJ-UHFFFAOYSA-N 338.473 1.635 0 40 EDAB CCc1nnc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 6664173 AREDXMZPYJKRNO-GUBZILKMSA-N 334.401 1.379 0 40 EDAB Fc1cnc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nc1 1888843103 HBJQDLUQNASQQO-UHFFFAOYSA-N 332.261 1.340 0 40 EDAB CCS(=O)(=O)N1C[C@H]2CCC[C@]2(COc2ncc(C)cn2)C1 1888857061 CBVMOJIGNVZORJ-UKRRQHHQSA-N 325.434 1.616 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)no1 1888888333 OKKCACPWBVXNJG-ZIAGYGMSSA-N 348.428 1.131 0 40 EDAB CCc1ncnc(N2C[C@@H]3CN(c4ncncc4C)C[C@@H]3C2)c1F 1889077973 IGUXZZASDRRXBE-BETUJISGSA-N 328.395 1.849 0 40 EDAB CN(C)c1ccnc(N2CCN(c3ncnc4ccccc34)CC2)n1 1889149162 OWGSIZZUEZJNOJ-UHFFFAOYSA-N 335.415 1.812 0 40 EDAB O=C(NCc1noc([C@@H]2CCC(=O)N2CC2CC2)n1)C1CCOCC1 1775963911 JLGDPGSCIFANKN-ZDUSSCGKSA-N 348.403 1.186 0 40 EDAB biogenic,in-vitro Cc1cccc(CC(=O)N2CCN(c3cc(O)nc(O)n3)CC2)c1 1775995212 IMGZEZMPIZHADN-UHFFFAOYSA-N 328.372 1.088 0 40 EDAB O=C1CCC(C(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)CC1 39625069 HNIDYTQURQDBHQ-QGZVFWFLSA-N 326.396 1.714 0 40 EDAB in-vitro Cc1cc(C(=O)N2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)ccn1 2037984673 JOYDVABIDVOVPK-GOSISDBHSA-N 331.416 1.490 0 40 EDAB CCN(C)C(=O)c1cnn2c1CN(C(=O)CCc1ccc[nH]1)CCC2 1565544913 AKEXYAVLOIMINY-UHFFFAOYSA-N 343.431 1.668 0 40 EDAB CCOCc1nn(CC2CC2)c2c1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CC2 1565547254 HGHHUCBMUXCPIH-HWWDLCQESA-N 345.443 1.607 0 40 EDAB Cc1cccc(CSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)c1 4570952 IDMMRYAQIKIYAY-UHFFFAOYSA-N 330.413 1.571 0 40 EDAB Cc1ncnc(C(=O)N2CC[C@H]3OC[C@@H](C(=O)N(C)C)C[C@H]3C2)c1C 2055732553 NTAVGJOLROWZAG-SOUVJXGZSA-N 346.431 1.049 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(CC2CCCCC2)CC1 2055746439 FNWATJBKUSMGEN-UHFFFAOYSA-N 333.480 1.993 0 40 EDAB C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)Cc1ccco1 206621355 IKOWKGGICGTEKF-QGZVFWFLSA-N 346.339 1.057 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)N1CC[C@@H](Oc2ncccn2)C1 575611348 VRFGHECNCSCCQH-GFCCVEGCSA-N 328.328 1.891 0 40 EDAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C 5045892 GPKJWHKPBLHTSV-UHFFFAOYSA-N 348.428 1.562 0 40 EDAB O[C@@H](CNC[C@@H]1COc2ccccc2O1)COc1ccccc1F 7653965 KLUNJYXSFMNMHE-UONOGXRCSA-N 333.359 1.995 0 40 EDAB COc1coc(Cn2nnn(-c3ccccc3Cl)c2=O)cc1=O 96191881 IPXBNHYHCIGQLC-UHFFFAOYSA-N 334.719 1.093 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]12 101021482 KLEYYSKCIOEDSL-DGCLKSJQSA-N 344.327 1.078 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 32434705 GIOHXWVHQWPFJR-AWEZNQCLSA-N 344.452 1.769 0 40 EDAB C[C@H]1CN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CCO1 29789949 HOMSWQPUCODHII-RYUDHWBXSA-N 338.429 1.258 0 40 EDAB NC(=O)[C@@H]1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 52394088 UAOCMZGMWLUHDP-SNVBAGLBSA-N 331.376 1.909 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)c1ccc(Br)cc1 3273597 ZIPZFSQMEJOHHJ-UHFFFAOYSA-N 343.177 1.840 0 40 EDAB O=C([C@@H]1COCCO1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 32805560 FWRCYSSPPFAJDV-YOEHRIQHSA-N 333.384 1.927 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1C 6235018 JQXSNKJWJSWBLR-UHFFFAOYSA-N 334.397 1.968 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCS(=O)(=O)C1 41448405 UPXOUWWOQSKNBS-ZDUSSCGKSA-N 334.397 1.496 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCO[C@@H]2CCC[C@@H]21 53381919 TWQYKAYEOWRJLY-WDEREUQCSA-N 335.385 1.345 0 40 EDAB NC(=O)Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1C1CC1 23350772 LZBWILKKVACAQF-UHFFFAOYSA-N 349.391 1.511 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)c1ccncc1F)CC2 108534610 HOILWEUTYXSOTN-UHFFFAOYSA-N 349.406 1.712 0 40 EDAB CCCc1nnc(S)n1CC(=O)NCCN(C)c1ccccc1 24242252 QNOGEVCYBVJTMT-UHFFFAOYSA-N 333.461 1.772 0 40 EDAB CCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 12569155 IASFSAWFQJTTQR-UHFFFAOYSA-N 327.406 1.157 0 40 EDAB COc1ccc(CN2CCNC(=O)C2)c(Br)c1OC 55898019 ABTKNUPZJZGJAR-UHFFFAOYSA-N 329.194 1.398 0 40 EDAB NC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 25333309 ZBBUQKYGJHSRFC-AWEZNQCLSA-N 329.400 1.193 0 40 EDAB Cn1nc(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)ccc1=O 55943504 YGOWOMHQUSMGFG-HOCLYGCPSA-N 331.347 1.570 0 40 EDAB CNC(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 107316685 ZUJXNWWFDBVAJE-ABHRYQDASA-N 331.416 1.149 0 40 EDAB CN(C)C[C@@H]1OC[C@H]2CN(S(=O)(=O)c3cccc(F)c3)CC[C@H]21 107201761 YPHDXHBHJWPMMQ-WQVCFCJDSA-N 342.436 1.413 0 40 EDAB NC1(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)CCCC1 97019101 YMKOSFCSAMHYOI-UHFFFAOYSA-N 333.407 1.772 0 40 EDAB CN(C[C@H]1CCCN1c1cccnn1)[C@H](C(N)=O)c1ccccc1 72279463 RQDLJXDKQHUHEZ-WBVHZDCISA-N 325.416 1.604 0 40 EDAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(CO)O2)cc1 101360901 DGUPNGRGMKZIAX-FSZRXZPDSA-N 329.352 1.281 0 40 EDAB O=C(C[C@H]1SC[C@H](C(=O)O)NC1=O)Nc1ccccc1Cl 20635103 BPADCFRPGPKVHC-NXEZZACHSA-N 328.777 1.353 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCC(c2ccccc2)=N1 10205022 RFMXJRVOHJFZRJ-GJZGRUSLSA-N 337.379 1.574 0 40 EDAB O=C(Cc1ccc(F)cc1)NCCNC(=O)c1cccnc1S 58277364 ITKVJKGOALPQRB-UHFFFAOYSA-N 333.388 1.598 0 40 EDAB O=C(CCNC(=O)[C@@H]1Cc2ccccc2S1)NCc1cccnc1 58278421 RCMGQUQIQYBBAW-INIZCTEOSA-N 341.436 1.921 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)CCn2cc(Cl)cn2)cc1 27968962 POEURLFATNGCDU-UHFFFAOYSA-N 328.781 1.213 0 40 EDAB COc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CCCCN3C2=O)cc1 58210618 RDSDNPHNPGMKAQ-IUODEOHRSA-N 334.372 1.252 0 40 EDAB Cc1nc2ccccc2n1CCCOC(=O)C1=NN(C)C(=O)CC1 58283802 BEKLYDAUWSYYLN-UHFFFAOYSA-N 328.372 1.886 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccc(N(C)C)nn3)C2)n1 72253248 BRIGYQQBFCCZML-CYBMUJFWSA-N 329.408 1.228 0 40 EDAB COc1cccc(COCC(=O)N[C@H](C(N)=O)c2ccccc2F)c1 72287850 ZXGYJIKANZGSGT-KRWDZBQOSA-N 346.358 1.694 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)O)cc1 3331365 LHWUEWUYTCXHHH-WCQYABFASA-N 327.402 1.193 0 40 EDAB CC(=O)N1CCC(NC(=O)NC[C@H]2COc3ccccc3O2)CC1 44934032 PSYHCJZNNYVSSZ-AWEZNQCLSA-N 333.388 1.137 0 40 EDAB O=C(CCN1CCSC1=O)NCCOc1ccc2c(c1)OCO2 44953848 IKCWJRXEBBYPCT-UHFFFAOYSA-N 338.385 1.469 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 24724167 CTTPQWWCDQGOQZ-CVEARBPZSA-N 346.427 1.739 0 40 EDAB CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 44954001 DIRGALDNCDVPMJ-CQSZACIVSA-N 332.448 1.682 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 44971847 ISLJKRFPLQWMAH-CQSZACIVSA-N 329.408 1.021 0 40 EDAB CC[C@H](C)c1ccc(S(=O)(=O)NCCNS(=O)(=O)CC)cc1 58776679 KJGHUGGSGWGJIU-LBPRGKRZSA-N 348.490 1.418 0 40 EDAB C[C@H](OC(=O)c1cccc2c1O[C@H](C)[C@@H]2C)C(=O)N1CCNC1=O 8484642 YZJZRHAYHMHRDY-AXFHLTTASA-N 332.356 1.668 0 40 EDAB CSCC[C@H](NC(=O)[C@H]1CCC(=O)N1)c1nc2ccccc2[nH]1 48302383 IEMZZONZLWFLCT-QWHCGFSZSA-N 332.429 1.752 0 40 EDAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cnn(C)c2)cc1OC 12852951 OUMMYWDAPDMOMO-LLVKDONJSA-N 347.371 1.299 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 110660768 RZPKBCYJGVXLAU-LTIDMASMSA-N 331.464 1.787 0 40 EDAB O=C(NC1CC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12811611 GENIYADTRKLQCV-UHFFFAOYSA-N 345.371 1.143 0 40 EDAB O=C1NC2=C(C(=O)N(Cc3ccco3)C2)[C@H](c2ccc(O)cc2)N1 12821428 SQGUNVMVLQKVJR-HNNXBMFYSA-N 325.324 1.636 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@H]1Cc3cc(Cl)ccc3O1)C2 69592442 JGMOWRRBUJXGEG-CYBMUJFWSA-N 332.791 1.840 0 40 EDAB CC(C)C[C@H]1NC(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C1=O 3597261 CHXJHXOBSDCGQX-TZMCWYRMSA-N 329.400 1.931 0 40 EDAB CCCn1c(S[C@H](CC)C(=O)Nc2cc(C)on2)n[nH]c1=O 12908943 XKSAGFVMIADFKN-SECBINFHSA-N 325.394 1.787 0 40 EDAB O=C1CC[C@H](C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)N1 63770923 YLFGLFSHAKOSGO-JKSUJKDBSA-N 338.411 1.704 0 40 EDAB CCOCCN1CCN(CCS(=O)(=O)c2ccccc2)CC1 69738361 FUGKIFFCVQXAJI-UHFFFAOYSA-N 326.462 1.114 0 40 EDAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)NC[C@H]1CCS(=O)(=O)C1 65452941 MYAJAKOGEPPJOP-CYBMUJFWSA-N 348.428 1.311 0 40 EDAB COC[C@@H](O)CN(C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 65449213 VGNBUSHYSXAHSG-JSGCOSHPSA-N 338.404 1.558 0 40 EDAB NC(=O)Cn1cc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)cn1 65491152 HARBPOAXZCYGGT-CYBMUJFWSA-N 342.403 1.016 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)c1nncn1C)CC2 65452177 SGYDOVPTSFXDSZ-LLVKDONJSA-N 345.403 1.661 0 40 EDAB CC1(C)C(=O)NCCN1C(=O)CCc1nnc(-c2ccsc2)o1 65523833 SIWSNIARAORIMA-UHFFFAOYSA-N 334.401 1.468 0 40 EDAB CCNC(=O)CNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C 65606547 NWXSZFHTFKTBSZ-HNNXBMFYSA-N 347.459 1.806 0 40 EDAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCCCO)cc1 408562970 SQNIVCQFSWQCRQ-UHFFFAOYSA-N 329.422 1.221 0 40 EDAB Cc1cc(NC(=O)CN[C@@H](CO)c2ccc(Cl)c(F)c2)n(C)n1 96006522 HTBWFVAOTRJNDE-ZDUSSCGKSA-N 340.786 1.783 0 40 EDAB CCSc1nnc(NC(=O)CSc2nc(N)cc(=O)[nH]2)s1 9167293 HSJTWRSZSUJEHX-UHFFFAOYSA-N 344.447 1.046 0 40 EDAB Cc1ccc(CN(C)C(=O)NCC(C)(C)NS(C)(=O)=O)s1 69151296 HUMGUHDDDQIZTP-UHFFFAOYSA-N 333.479 1.526 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN([C@H](C(N)=O)c3ccccc3)C2)n1 70040038 MQJSMHGLJJXUCH-RDJZCZTQSA-N 327.432 1.834 0 40 EDAB COCCN1CCN(CCCS(=O)(=O)c2ccccc2)C[C@H]1C 70008492 GSAAKFLXRQWUFD-MRXNPFEDSA-N 340.489 1.503 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 70014305 JWGYNCSDVOLUCK-UHFFFAOYSA-N 343.366 1.686 0 40 EDAB CC[C@@H]1CN(C(=O)CN2CCC(c3nnc4n3CCC4)CC2)CCO1 71830893 BYFSDTLGIURNDN-OAHLLOKOSA-N 347.463 1.041 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCCN(c2nccs2)CC1 71830865 KNPBEWGTXPREQH-UHFFFAOYSA-N 331.445 1.957 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 71841362 QLLLICHBYFAPQR-JKSUJKDBSA-N 343.431 1.473 0 40 EDAB O=C(COc1ccccc1OCc1ccccc1)Nc1nnn[nH]1 71886679 QGKIQTRPUXRWMS-UHFFFAOYSA-N 325.328 1.796 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCC1(c2ccc3c(c2)OCO3)CC1 71853456 TYULSTJTVLKFAC-OCCSQVGLSA-N 344.411 1.725 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@@H]1CCCN1c1nccs1 71895994 HDUHISWPOUCTAQ-ZDUSSCGKSA-N 331.445 1.889 0 40 EDAB NC(=O)[C@H](NCCNC(=O)c1c(F)cccc1F)c1ccccc1 71903207 RZVOSEAFRJVUAT-OAHLLOKOSA-N 333.338 1.511 0 40 EDAB Cc1cccc(C)c1-n1nnnc1C[S@@](=O)CC(=O)NCC(C)C 83954649 GVIMFNXYLCVFRW-DEOSSOPVSA-N 349.460 1.300 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](CC)c1noc(C)n1 87140881 PVTLWHRLNVLRSQ-WDEREUQCSA-N 333.396 1.817 0 40 EDAB Cc1cc(C)n(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)n1 95350736 VLNPSQYPEKKGSQ-MRXNPFEDSA-N 340.383 1.793 0 40 EDAB CNc1nc(C(=O)NCCc2n[nH]c(=S)n2C(C)C)cs1 84633021 HPLSLBIWBDTDPQ-UHFFFAOYSA-N 326.451 1.992 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)C[C@H]1N1CCOCC1 84735757 YOOZAPJMWBHREB-RKVPGOIHSA-N 346.427 1.396 0 40 EDAB c1ccc(CN2CCO[C@H]3CN(c4nccn5cnnc45)C[C@@H]32)cc1 95413926 SZIWZNLUEKZEPI-HOTGVXAUSA-N 336.399 1.214 0 40 EDAB COCC(=O)N[C@H](C(=O)NC[C@@H]1CCc2ccccc2C1)C(C)C 95400442 FEFOWHRXUJVLKE-KDOFPFPSSA-N 332.444 1.695 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)c2cn(Cc3cccnc3)nn2)C12CCC2 95403597 ZGJYSHHWJOPIMU-HOTGVXAUSA-N 341.415 1.799 0 40 EDAB O=S(=O)(N[C@H](CO)C[C@H](O)c1ccccc1)c1ccccc1F 95436039 FOQCJRHYGNLRMS-ZFWWWQNUSA-N 339.388 1.589 0 40 EDAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(O)c(S(N)(=O)=O)c2)n1 95444602 LSLBRHTZSVXZJP-JTQLQIEISA-N 338.389 1.053 0 40 EDAB CC(=O)N1CC[C@H](NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 95450571 BKFUTGAIWJTOIY-QWHCGFSZSA-N 331.199 1.764 0 40 EDAB CS(=O)(=O)CCC(=O)Nc1ccnc(OCC(F)(F)F)c1 95463728 YYOPVRZTSSNXML-UHFFFAOYSA-N 326.296 1.396 0 40 EDAB O=C(NCCc1ccccn1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 95461266 GHDJZOUUVMJNCN-UHFFFAOYSA-N 335.367 1.769 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3cc4sccc4s3)CC2)N1 97914208 GLASBYRTGDVSPA-UHFFFAOYSA-N 335.410 1.777 0 40 EDAB CCN1CCCN(C(=O)NCc2cn(-c3ccccc3)nn2)CC1 95971457 VQAUYCVHBPGFSG-UHFFFAOYSA-N 328.420 1.505 0 40 EDAB CN1CCN(c2ccc(NC(=O)CN3CCCCC3=O)cc2)CC1 74695894 WTFGAJUYRZZEML-UHFFFAOYSA-N 330.432 1.389 0 40 EDAB CN1CCN(C[C@H](O)CN(C)C(=O)CC2CCCCCC2)CC1 89382644 IUZAOTANKFWLOX-QGZVFWFLSA-N 325.497 1.414 0 40 EDAB C[C@H](C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)n1cccn1 75129234 BIGRBOUTNSCEQR-NVXWUHKLSA-N 328.416 1.322 0 40 EDAB Cc1nc2cc(NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)ccc2o1 89721659 HWBQYUJJFVMFQM-JTQLQIEISA-N 325.328 1.851 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCN(CCCc2cn[nH]c2)CC1 75589121 AZVMKZCDTMLXSJ-UHFFFAOYSA-N 330.407 1.868 0 40 EDAB Cc1cc(C)n(-c2ccc(CC(=O)N3CCN(CCO)CC3)cc2)n1 75572459 NFNAZBITWWHDHB-UHFFFAOYSA-N 342.443 1.168 0 40 EDAB COc1ccc(C(=O)[C@H](NCCO)c2oc(C)cc(=O)c2O)cc1 1547138795 RZCWRWGYHDTWBK-AWEZNQCLSA-N 333.340 1.168 0 40 EDAB biogenic O=C(CN1CCN(c2cnc3ccccc3n2)CC1)N1CCCCC1 26137691 TZASNCAGQFZKRK-UHFFFAOYSA-N 339.443 1.764 0 40 EDAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cccc(Cl)c1 547559062 YRVFRLDIOWMAAT-JOYOIKCWSA-N 333.793 1.498 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)O)c(F)cc1F 547554509 PEWLXNKPBSUKMM-JOYOIKCWSA-N 349.355 1.431 0 40 EDAB O=C(C1CC1)N1CCO[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306134410 NMLWQUMDRHYBAA-OAHLLOKOSA-N 341.415 1.639 0 40 EDAB NC(=O)CCc1cccc([C@H]2CCCN2C(=O)C2CCOCC2)n1 72360534 WCLPMXGOCOPOIA-MRXNPFEDSA-N 331.416 1.590 0 40 EDAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(CCO)CC1 30882641 PBHFBZLZASVUSP-BZSNNMDCSA-N 338.492 1.360 0 40 EDAB biogenic,in-vitro COc1cc(NC(=O)C2(n3cnnn3)CCCCC2)cc(OC)c1 36358355 MNZBXQJLHVAITG-UHFFFAOYSA-N 331.376 1.988 0 40 EDAB COc1cccc(C(=O)N2CCn3c(nnc3[C@@H]3CCCCN3)C2)c1 72374068 CBEIRBPJXMYREG-HNNXBMFYSA-N 341.415 1.757 0 40 EDAB CC(C)CCNC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 32101434 NJIMBYQTSLLHNM-AWEZNQCLSA-N 331.416 1.318 0 40 EDAB CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1c(C)nn(CC)c1C 133454003 CERIUNKWSLVMTB-CABCVRRESA-N 347.463 1.544 0 40 EDAB C[C@@](NC(=O)c1ccc(C(=O)O)cn1)(C(N)=O)c1cccc(Cl)c1 562406023 GZJJZFBPMMKUAJ-INIZCTEOSA-N 347.758 1.564 0 40 EDAB Cc1c(S(=O)(=O)N[C@H]2CCCN(C)c3ccccc32)cnn1C 562730597 OWBAPUUVSQWQGS-AWEZNQCLSA-N 334.445 1.978 0 40 EDAB C[C@H](O)CNC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 48663983 VLZSJWPVOYXNSL-JTQLQIEISA-N 334.401 1.007 0 40 EDAB Cn1nc(C(=O)NCCn2cccn2)cc1NC(=O)c1ccccc1 40761987 QXKVOJGWUWQILI-UHFFFAOYSA-N 338.371 1.299 0 40 EDAB CC(C)(C)OC(=O)N1CCC(CNCCCN2CCOCC2)CC1 89212613 KLRXZADQZYDWEZ-UHFFFAOYSA-N 341.496 1.945 0 40 EDAB Cn1cnnc1S(=O)(=O)Cc1cc(Cl)cc2c1OCOC2 47622653 FCRPKQUSFMXOQQ-UHFFFAOYSA-N 329.765 1.309 0 40 EDAB Cc1nnc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3)s1 40287039 VJKBEPSBMRFRID-OAHLLOKOSA-N 343.368 1.052 0 40 EDAB Cn1nnn(-c2ccc(NC(=O)c3c[nH]c4ccccc34)cc2)c1=O 75163126 PBAPRZKYOYYFOD-UHFFFAOYSA-N 334.339 1.700 0 40 EDAB Cc1cccc(OC[C@H]2C[C@@H](NCc3ccc(C)o3)[C@H](O)[C@@H]2O)n1 225502449 NURQLQMRJKWTAF-UWIFEVILSA-N 332.400 1.570 0 40 EDAB biogenic,in-vitro O=C([C@H]1CCc2ccccc2O1)N1CCC(c2nnc(O)o2)CC1 571397497 YTRUJECUFFCJRJ-CQSZACIVSA-N 329.356 1.875 0 40 EDAB C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C3[C@H]4CCC[C@@H]34)CC2)C1 195534256 CBVJQVLDKORVGS-VPQNOXPISA-N 347.503 1.872 0 40 EDAB CCOc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 225791902 ANTCXSHKLKSCLR-JMWBNMSQSA-N 331.368 1.917 0 40 EDAB Cc1ccc(CS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c(C)n1 195091215 QQCPGUNUBJZLRX-UHFFFAOYSA-N 331.401 1.727 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)c2cccnc2N2CCCCC2)cn1 96444499 CSISEHVCXGLARX-GOSISDBHSA-N 343.431 1.443 0 40 EDAB O=C(c1cscn1)N1C[C@H]2OCC(=O)N(CC3CCCC3)[C@@H]2C1 96246405 RCTKQHNWRWBAMS-ZIAGYGMSSA-N 335.429 1.385 0 40 EDAB CS(=O)(=O)N1CCCN(CCSCc2ccccc2)CC1 192531362 YIYVKEDYVWXTIU-UHFFFAOYSA-N 328.503 1.887 0 40 EDAB Cc1cnn(CCCNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 96420730 VOEQXYLOFHAOMU-GOSISDBHSA-N 342.443 1.599 0 40 EDAB Cc1ccc(F)c(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)c1 577130625 IGSVWMJPSRHLMS-BLLLJJGKSA-N 344.390 1.817 0 40 EDAB COCCO[C@H]1CCN(S(=O)(=O)C2CC2)[C@H]1Cc1cccnc1 96200527 VFLYEAZBIIGCFR-HOTGVXAUSA-N 340.445 1.222 0 40 EDAB COCCN1C(=O)C[C@H](c2ccccc2)C12CCN(C(N)=O)CC2 96199691 WXDJRZKSOGWVMM-OAHLLOKOSA-N 331.416 1.562 0 40 EDAB Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cc(O)nc(C3CC3)n1)C2 578664221 GLYPYKVZBZVTSZ-GFCCVEGCSA-N 325.372 1.445 0 40 EDAB C[C@@H](c1nc(Cc2ccccc2)no1)N1CCCS(=O)(=O)CC1 96424224 JYSPANJSTJADFO-ZDUSSCGKSA-N 335.429 1.842 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3cccnc3)Cc3nccn3C2)n1 96188704 POJSOVNGBKVNHN-KRWDZBQOSA-N 337.431 1.819 0 40 EDAB O=C(c1cnccn1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@@H]21 96058108 SYCULDCOWZLTAD-BBWFWOEESA-N 340.383 1.460 0 40 EDAB O=C(Nc1cnccn1)[C@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1 96042816 RLRKGNGWSORYAD-NWANDNLSSA-N 328.372 1.688 0 40 EDAB CC(C)NC(=O)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 96188054 HVFHVIJJRJRKFC-CQSZACIVSA-N 329.404 1.907 0 40 EDAB COc1ccc(C2=NO[C@@](C)(C(=O)NCc3cnn(C)c3C)C2)cc1 96192764 HQHNQESSVMJPHM-GOSISDBHSA-N 342.399 1.937 0 40 EDAB Cn1ncc(C(=O)OCCNC(=O)c2ccccc2)c1-n1cccc1 96442818 YDPOXBVMZCFGKI-UHFFFAOYSA-N 338.367 1.798 0 40 EDAB CN(C[C@@H]1CCCCO1)C(=O)CNC(=O)c1cc(F)cc(F)c1 96404944 NATKBUUETXMWPX-AWEZNQCLSA-N 326.343 1.722 0 40 EDAB Cc1cc(NC(=O)C2(S(C)(=O)=O)CCCC2)nn1-c1ccccc1 332183324 OCVOUACCFVSGPE-UHFFFAOYSA-N 347.440 2.477 0 40 EDAB O=C(CC1CC1)NCc1cn2c(n1)CN(C(=O)C1CCOCC1)CC2 96059465 FSLSETYUNGSWFJ-UHFFFAOYSA-N 346.431 1.068 0 40 EDAB O=C(CCc1ccc(Cl)cc1)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617755 OFFSETMJWVYNOU-INIZCTEOSA-N 334.807 1.901 0 40 EDAB CN(C)c1nc(N2CCOCC2)nc2c1CN(CC1CCC1)CC2 96254021 FASCFBYKHLHHSU-UHFFFAOYSA-N 331.464 1.537 0 40 EDAB C[C@@H]1CN(C(=O)c2ccno2)C[C@]12CCN(Cc1cccnc1)C2=O 96070310 QLCNFCUCKKWDGY-FZKQIMNGSA-N 340.383 1.580 0 40 EDAB c1cn(C[C@H]2CO[C@@]3(COCCN(CC4CCOCC4)C3)C2)cn1 96052083 BLYASCITYFFUQL-ROUUACIJSA-N 335.448 1.417 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccncc3)C[C@@H]21)c1cscn1 247385304 KASYERHJFLFCJB-IIAWOOMASA-N 344.440 1.415 0 40 EDAB COc1ncccc1C(=O)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 247832805 IAVFOPGEMOKSTF-HNNXBMFYSA-N 342.399 1.738 0 40 EDAB Cc1cnn(CC(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)c1 257340564 ZGRRUXSONWTBGA-OAHLLOKOSA-N 329.404 1.029 0 40 EDAB CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1O 257300445 RUHJRURFSBQLBL-QZTJIDSGSA-N 343.402 1.467 0 40 EDAB Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)C4CCOCC4)C[C@@H]32)nn1 257274895 NNCOCTIJNDWDFF-IXDOHACOSA-N 344.459 1.885 0 40 EDAB CCn1cc(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)c(C)n1 257312341 UNMNIWNQAXZQET-CYBMUJFWSA-N 329.404 1.825 0 40 EDAB O=S(=O)(C1CCCC1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257237423 HGKJKGOBILJECI-CHWSQXEVSA-N 338.420 1.035 0 40 EDAB C[C@@H]1CN(C(=O)NCCS(=O)(=O)CCc2ccccc2)CCO1 252498585 RFOMLIXDVHCYLB-CQSZACIVSA-N 340.445 1.074 0 40 EDAB CCNC(=O)C[S@](=O)c1cccc(NC(=O)c2c[nH]cc2C)c1 585087423 AHNGRLFAQFJELG-QHCPKHFHSA-N 333.413 1.819 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)C2=Cc3ccccc3OC2)CCO1 257326590 WXTPYKRAPFGDPK-OAHLLOKOSA-N 338.367 1.435 0 40 EDAB CC(=O)N1[C@@H]2CN(C(=O)Cn3cc(C)cn3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257213813 CJEDYZKCPGEIPB-MJQMVNBJSA-N 344.459 1.972 0 40 EDAB CNc1cc(C)nc([C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)c1 257204434 AUPKSQSJJGHJSW-INIZCTEOSA-N 348.428 1.589 0 40 EDAB C[C@@]1(O)CCN(Cc2nccs2)C[C@H]1n1cnc2c(N)ncnc21 257211214 BXXUJTZTSWSBNC-MEBBXXQBSA-N 345.432 1.063 0 40 EDAB CN(C)C(=O)CN1CCC[C@]1(CCCc1cccnc1)C(=O)N(C)C 257214345 CLQQKDDNJAZREO-LJQANCHMSA-N 346.475 1.415 0 40 EDAB CC(C)(C)CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C2CC2)n1 604382197 KAXPTKQWNVHHAG-QBPKDAKJSA-N 333.476 1.890 0 40 EDAB biogenic,in-vitro Cn1ccnc1C(=O)N1CCC2(CCO[C@H]2Cc2cncnc2)CC1 257256425 KLLBKAUUGSZZRV-HNNXBMFYSA-N 341.415 1.464 0 40 EDAB Cc1cc2nc([C@@H]3CCCCN3C(=O)CN3CCCC3)cc(O)n2n1 257324869 WQNNDCLWGIOZGP-HNNXBMFYSA-N 343.431 1.893 0 40 EDAB Cc1ccc(C(=O)N[C@H](C(=O)N[C@H]2C[C@@H](C(=O)O)C2)C(C)C)cc1 263171364 FYWASLKSFNUZBS-ZNMIVQPWSA-N 332.400 1.729 0 40 EDAB CN(Cc1ncccn1)C[C@@H](O)CN1CCc2ccccc2CC1 1615541876 VYDSNMYXXIDFPW-GOSISDBHSA-N 326.444 1.370 0 40 EDAB Cc1oc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@@]12CCOC2 1615615999 UNWQVAOEMUOXBO-HNNXBMFYSA-N 327.402 1.777 0 40 EDAB O=S(=O)(Cc1ccccc1)NCCc1csc(-n2cccn2)n1 90703620 QBWHCMSVWDBPRA-UHFFFAOYSA-N 348.453 1.991 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@H]2NCCC1CC(O)C1 1616036240 QXZIDULTAHNSEQ-PPPKJHQXSA-N 340.464 1.906 0 40 EDAB COc1ccccc1OCC(=O)N1CCC(Oc2cccnn2)CC1 96102909 UQYWKKZIRBVAMN-UHFFFAOYSA-N 343.383 1.934 0 40 EDAB CC(C)CC(=O)N1Cc2ccnn2[C@H](C(=O)NCc2ccco2)C1 575402528 BOEJKTQWDZHPLZ-HNNXBMFYSA-N 330.388 1.722 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@H](Oc2ccncc2)C1 151135960 QQSYHQXCULIOEO-HNNXBMFYSA-N 346.408 1.859 0 40 EDAB COCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(F)ccc1F 58429197 HCUMFBRKVKUCIN-GFCCVEGCSA-N 334.388 1.354 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccc(N(CC)CC)nc1)C2 69776397 HCWOZZIVEMPNDP-UHFFFAOYSA-N 328.420 1.738 0 40 EDAB COC(=O)c1ccc(CS(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1 69874205 UXAFBXAMRMACKE-HNNXBMFYSA-N 340.445 1.329 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 69977043 NZVGPMKQAZQPPR-DOTOQJQBSA-N 329.444 1.888 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(N3CCC[C@@H]3CO)CC2)s1 96099742 QKICTYFMPDUCDL-CQSZACIVSA-N 344.502 1.666 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2nccn2)cc1F 670321630 REYNGWDSCVNUSV-NSHDSACASA-N 340.380 1.279 0 40 EDAB COC(=O)c1sccc1NC(=O)CN1CC[C@](C)(N(C)C)C1 1615589304 XGTGKOZVEGXEGE-HNNXBMFYSA-N 325.434 1.499 0 40 EDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 8105119 WZFIFEZXEAVKNO-WQLSENKSSA-N 338.360 1.625 0 40 EDAB Cc1cc2c(cc3c(=O)n(CC(=O)N4CCOCC4)nc(C)n32)s1 12115319 BOXHGYPISPSWFJ-UHFFFAOYSA-N 346.412 1.186 0 40 EDAB Cc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1ccccc1 13960397 SKVLQVXVOFRSCK-FSDCSDTHSA-N 337.379 1.907 0 40 EDAB COCC(=O)N1C[C@@H](c2ccc(F)c(F)c2)[C@@]2(CCCC(=O)N2)C1 19592968 ZENXGZBFLMBGCH-YVEFUNNKSA-N 338.354 1.576 0 40 EDAB CC(=O)N[C@@H]1CN(C(=O)CCc2ccc(F)cc2)C2(CCNCC2)C1 19704870 BQZSLFPUMLDOKH-KRWDZBQOSA-N 347.434 1.618 0 40 EDAB O=C(N[C@@H]1Cc2ccccc2[C@H]1N1CCOCC1)N1CCOCC1 20218858 NHHNYJOAJUCCLR-IAGOWNOFSA-N 331.416 1.026 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3C[C@]32C(=O)NCc2cccnc2)n(C)n1 2056223845 HFHDEOQWKVMRAD-KBXCAEBGSA-N 339.399 1.045 0 40 EDAB O=C(c1csnn1)N1CCCn2nnc(Cn3cccc3)c2C1 1565552422 SNNUIVRSGOSEBZ-UHFFFAOYSA-N 329.389 1.026 0 40 EDAB COC1(CC(=O)N2CCc3ncnc(-c4cnn(C)c4)c3C2)CCC1 1565555810 PTTSYKDCPOVJOW-UHFFFAOYSA-N 341.415 1.721 0 40 EDAB Oc1cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc(O)n1 1565519229 ISGZNTVHODMRIC-UHFFFAOYSA-N 341.293 1.628 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2ccccc2C)C1 2055772588 ZHENWGOXJUGVMW-IBGZPJMESA-N 340.427 1.498 0 40 EDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2cc(C)nn2C)C1 2055750954 QMZTXAFMQONQFK-SFHVURJKSA-N 345.422 1.670 0 40 EDAB Cn1cc(C(=O)N[C@H]2CCc3onc(CN4CCCC4)c3C2)cn1 2055732525 KXJCXJHDAPYWOY-ZDUSSCGKSA-N 329.404 1.291 0 40 EDAB COc1ccc(CCNC(=O)N2CC[C@@H](Oc3ccncn3)C2)cc1 575610987 RAMTZACDAMEOSQ-MRXNPFEDSA-N 342.399 1.891 0 40 EDAB CCn1cc(N2CC(Cn3ccnc3C(C)C)C2)c(=O)n(CC)c1=O 2298048324 HQCSNRYMQQXIDP-UHFFFAOYSA-N 345.447 1.506 0 40 EDAB CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)C(C)(C)C 8706209 WUWDUOHODWVMBC-UHFFFAOYSA-N 349.435 1.261 0 40 EDAB CCCCOc1ccc(/C=c2\sc3ncnn3c2=O)cc1OC 13426884 CVZOVFHOJJFKRS-ZROIWOOFSA-N 331.397 1.886 0 40 EDAB CCNC(=S)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 15480048 AUYWDKNKWOIFQA-NSHDSACASA-N 334.445 1.577 0 40 EDAB C[C@@H](CNC(=O)c1ccn(-c2ccc(F)cc2)n1)N1CCOCC1 30682753 NIKCVFLFJYCOJN-ZDUSSCGKSA-N 332.379 1.462 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 40497261 AXGVSUXEMMBYIX-UHFFFAOYSA-N 346.836 1.259 0 40 EDAB COc1ccc(C)cc1/C=C/C(=O)N1CCN(S(C)(=O)=O)CC1 40480863 UTPMQPCQOMEZRC-FNORWQNLSA-N 338.429 1.121 0 40 EDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)NCC1CC1 40493415 KFNZRKHMOJOMFP-GFCCVEGCSA-N 344.415 1.802 0 40 EDAB O=C(Cn1nnc2ccccc21)N1CCCN(C[C@@H]2CCCO2)CC1 40512852 KIYYGXYWDCXGOJ-HNNXBMFYSA-N 343.431 1.145 0 40 EDAB Cc1ccc(OCC(=O)NCc2nncn2C)c(Br)c1 40512114 HPGPXGCUJHZPHL-UHFFFAOYSA-N 339.193 1.581 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c2ccccc21 40553871 YROWVEKJXBXCPW-HZPDHXFCSA-N 329.400 1.510 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)c1cccc(N2CCCS2(=O)=O)c1 40522666 PWXIELVOGLVDIR-ZDUSSCGKSA-N 348.428 1.242 0 40 EDAB Cc1nnc2ccc(N3CCC(C(=O)NCc4ccco4)CC3)nn12 20727959 WJLFQGBCMKAHRS-UHFFFAOYSA-N 340.387 1.559 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1F 46036536 IMHKURZLDJOWFP-ZIAGYGMSSA-N 328.409 1.739 0 40 EDAB O=C(O)[C@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N1c2ccccc2[C@H]2OCC[C@H]2[C@@H]13 211883 ADBRMMHYTJFVFR-WMLMVPQVSA-N 339.347 1.517 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1OC 386182 PVTPALFFPVDSNP-UHFFFAOYSA-N 326.418 1.620 0 40 EDAB CC(C)CN1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cn2)CC1=O 29785789 JGPTVQXGSWIDDW-AWEZNQCLSA-N 346.431 1.361 0 40 EDAB O=S(=O)(c1cc(F)ccc1F)N1CCCC[C@H]1C1OCCO1 60348758 FNFBJLYXOIECHK-LBPRGKRZSA-N 333.356 1.881 0 40 EDAB CC(=O)N1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)CC1 69441066 JCZLFURYPLKJKQ-UHFFFAOYSA-N 349.456 1.047 0 40 EDAB CC(C)S(=O)(=O)Cc1ccc(N[C@@H](C)C(=O)NC(N)=O)cc1 52117920 ISNRGFSWSJFEDQ-JTQLQIEISA-N 327.406 1.005 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)CSc2cccc[n+]2[O-])no1 21604104 KLBKKAHOLJXYDR-SNVBAGLBSA-N 337.357 1.279 0 40 EDAB CC(C)OCCCNC(=O)c1ccccc1N(C)S(C)(=O)=O 6307151 UDJCIJRHAFUQDE-UHFFFAOYSA-N 328.434 1.627 0 40 EDAB COCCCNC(=O)CSc1nnc(C)n1-c1ccc(F)cc1 6969532 YLAQFTLDFVJDHC-UHFFFAOYSA-N 338.408 1.960 0 40 EDAB O=C(c1cccnc1N1CCOCC1)N1CCC[C@@H](n2ccnc2)C1 69870838 YALIXNVBLHXHLA-OAHLLOKOSA-N 341.415 1.592 0 40 EDAB Cc1noc(CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)n1 52701246 XMSMCVDWELIXHN-UHFFFAOYSA-N 346.822 1.997 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@H]1CCOC2(CCOCC2)C1 97019223 QLBJLMHADQUELS-JYJNAYRXSA-N 341.448 1.805 0 40 EDAB CN(CCN1CCCC1=O)C[C@@H](c1cccs1)N1CCOCC1 75603799 VVXYFQNZOKONMO-HNNXBMFYSA-N 337.489 1.676 0 40 EDAB O=C(c1ccoc1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005218 JLULJGRFOMXKRM-CQSZACIVSA-N 326.418 1.746 0 40 EDAB CC(C)CN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2)CC1 52960330 NBUMBPJZYLPECV-UHFFFAOYSA-N 335.423 1.746 0 40 EDAB O=S(=O)(c1ccccc1)N1CC[C@@]2(C[C@@H](n3ccnc3)CO2)C1 107226659 SNSLZVGOSMSTGX-GDBMZVCRSA-N 333.413 1.678 0 40 EDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CN1CCN(c2ccccn2)CC1 103277733 DJXYMUWNFYHJHJ-GASCZTMLSA-N 328.416 1.336 0 40 EDAB COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)ccc1OCC(N)=O 9188981 OTTJHZLKKKJVBO-GHMZBOCLSA-N 338.429 1.344 0 40 EDAB CC1CCN(S(=O)(=O)NCCN2CCc3sccc3C2)CC1 53685835 MRJBUJVLJHRKHY-UHFFFAOYSA-N 343.518 1.673 0 40 EDAB CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1F 97046572 OIRBEWPSWMFTSQ-MRXNPFEDSA-N 330.359 1.961 0 40 EDAB Cc1cccc(CN2C[C@H](C(=O)N3CCCCO3)[C@H]3OCC[C@H]32)n1 108535285 DUIXVAHBRSKECK-GVDBMIGSSA-N 331.416 1.533 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H]1C 53957252 DGJKVEWPNHAWGE-WCVJEAGWSA-N 337.464 1.844 0 40 EDAB Cc1nn(C)cc1CN1CCC2(CC1)C[C@H](NC(=O)C1CC1)CCO2 108532704 QPPVINMAWUDSPQ-QGZVFWFLSA-N 346.475 1.768 0 40 EDAB CCS[C@@H]1CC[C@@H](NC(=O)N[C@@H](C)CN2CCN(C)CC2)C1 76088863 FSCBUJJYGJGELN-RRFJBIMHSA-N 328.526 1.596 0 40 EDAB CC(C)[C@H](NC(N)=O)C(=O)NCCOc1cccc2c1OC(C)(C)C2 47688699 OXRNVTKXWYGNJM-AWEZNQCLSA-N 349.431 1.588 0 40 EDAB Cn1cnnc1CNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 47728723 QSWXIUYBSFPDOV-UHFFFAOYSA-N 348.794 1.682 0 40 EDAB Cc1cc(N2CCN(C(=O)C3=COCCO3)CC2)nc(C(C)C)n1 24218978 OOQZDCDIQHBZDD-UHFFFAOYSA-N 332.404 1.445 0 40 EDAB Cc1ccc(N2CCC[C@@H](N[C@@H](C(N)=O)c3ccccc3)C2)nn1 106774498 BFVMVDFEPQJYIV-NVXWUHKLSA-N 325.416 1.570 0 40 EDAB CCn1cc(NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 43645834 YYEVLRUXIWCKCH-JTQLQIEISA-N 337.405 1.433 0 40 EDAB COc1ccc(OC)c([C@@H]2c3c(C)nnc(O)c3Nc3nnnn32)c1 10298526 XYELYSWSVWEWKP-CYBMUJFWSA-N 341.331 1.189 0 40 EDAB COc1ccc([C@@H](NC(=O)N2CCOCC2)c2nccn2C)cc1 27338759 XHBSAXFFTMQEQE-OAHLLOKOSA-N 330.388 1.560 0 40 EDAB C[C@H]1CN(C(=O)CCNC(=O)c2cccc3[nH]ncc23)C[C@H](C)O1 58281694 VCUVHIYBYZAHTR-RYUDHWBXSA-N 330.388 1.319 0 40 EDAB Cc1ccc(NC(=O)NCCOc2nc(N)nc(N(C)C)n2)cc1 27532592 CWYZZWBZOLXTQI-UHFFFAOYSA-N 331.380 1.029 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCN(Cc2c(C)noc2C)CC1)C(C)C 44917198 PQRUZDWICPTIBW-MRXNPFEDSA-N 336.436 1.096 0 40 EDAB O=C(NCCN1CCCCC1)[C@H](Cc1ccccc1)n1cnnn1 44940157 XWCBSADELSIOGM-INIZCTEOSA-N 328.420 1.059 0 40 EDAB C[C@@H](NC(=O)OCC(F)(F)F)c1ccc(S(N)(=O)=O)cc1 44980504 YWECKJAVWIVBKG-SSDOTTSWSA-N 326.296 1.684 0 40 EDAB Cc1noc2ncc(C(=O)NCc3ccc(-n4cncn4)nc3)cc12 44952496 VAMWTRJQDXSXOU-UHFFFAOYSA-N 335.327 1.437 0 40 EDAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3cnn(C)c3)CC2=O)c1 44915759 HEBOIIDNGOJTNW-NSHDSACASA-N 344.371 1.429 0 40 EDAB COCc1cccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 58393985 RRSCVERPPBVRGT-KRWDZBQOSA-N 345.443 1.387 0 40 EDAB C[C@@H](N[C@H]1CCS(=O)(=O)C1)c1nc(N)nc(Nc2ccccc2)n1 58305200 QIDKNMOZHGQSRQ-PWSUYJOCSA-N 348.432 1.035 0 40 EDAB O=C(CNC(=O)c1ccsc1)Nc1cnn(Cc2ccccn2)c1 58343209 BSJIFNSSJPSWJG-UHFFFAOYSA-N 341.396 1.756 0 40 EDAB O=C(NO[C@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 58377073 QYDAUGVHLQYBLH-BZNIZROVSA-N 348.355 1.343 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)NC[C@H]3CCN(C(C)C)C3)cnc12 58393297 ZRCGYGNHPVUJHW-OAHLLOKOSA-N 342.443 1.551 0 40 EDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc2c(c1)OCCCO2 28057973 PLDPQJCXBUXLHL-NWDGAFQWSA-N 327.402 1.646 0 40 EDAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCCC2)cc1 3320770 KXNXQQRJVKIXIC-UHFFFAOYSA-N 348.399 1.371 0 40 EDAB CCOc1ccc(Br)cc1N[C@H](C)C(=O)NC(N)=O 69580826 ZBYIHKRLFXCJAN-SSDOTTSWSA-N 330.182 1.843 0 40 EDAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 69558206 OKZHXNOYGYTNOE-PBHICJAKSA-N 346.427 1.837 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1cccc(Br)c1 69580793 XWDMINVREZCXQA-SKDRFNHKSA-N 325.206 1.951 0 40 EDAB COc1ccnc(N2CCCN(C(=O)c3ccc[nH]c3=S)CC2)n1 69532777 LRWVWXKZTSZFNY-UHFFFAOYSA-N 345.428 1.895 0 40 EDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCCc1ccccc1 3505576 YCIZBCUBRCWKCC-UHFFFAOYSA-N 343.427 1.990 0 40 EDAB C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCS(N)(=O)=O 69601801 CDDYSNSFDKZYIT-ZETCQYMHSA-N 341.216 1.165 0 40 EDAB Cc1n[nH]c2cc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)ccc12 91827925 KRTYKILTNKJQEU-NSHDSACASA-N 336.417 1.481 0 40 EDAB O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 13341185 MOHDMLZLCLODMH-LLVKDONJSA-N 327.358 1.086 0 40 EDAB CC(=O)Nc1nc(CN2C[C@@H](C(N)=O)Oc3ccccc32)cs1 8724363 NMRHSUDMRBBQLJ-ZDUSSCGKSA-N 332.385 1.354 0 40 EDAB COc1ccc(CNS(=O)(=O)N2CCCCCC2)c(OC)c1 8714530 QGHSZIIBPQMTCN-UHFFFAOYSA-N 328.434 1.914 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)N[C@H](C)Cn1cccn1)N(C)C 65440777 OVQXWTUZILRKGB-GDBMZVCRSA-N 345.447 1.882 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2ccc(C)nc2)C(N)=O)cc1 65493117 SDQFGSFKMYILPC-INIZCTEOSA-N 341.411 1.863 0 40 EDAB COCCN1CCC[C@@H]1CNC(=O)/C=C/c1ccc(OC)c(OC)c1 65564049 FWLKNMVUECACFR-MNDMWVCDSA-N 348.443 1.944 0 40 EDAB CN(C)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 6430096 MPDBDXCRSQZJEF-UHFFFAOYSA-N 335.223 1.206 0 40 EDAB C[C@@H](C(=O)N1CCCCCC1)N1C(=O)N[C@@H](Cc2ccccc2)C1=O 14246984 OPDDAKRYPWRBAH-HOCLYGCPSA-N 343.427 1.941 0 40 EDAB CCc1nn2c(=O)cc(COC(=O)c3c(C)noc3C)nc2s1 6588336 RQPYZDNNCPGXGE-UHFFFAOYSA-N 334.357 1.675 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 14517582 JXOFMPOSAYRHCY-UHFFFAOYSA-N 346.350 1.971 0 40 EDAB CC[C@H](CCNC(=O)NCc1ccc(C)nc1OC)N1CCCC1=O 66195393 UZXBFUCFOYSFLI-OAHLLOKOSA-N 348.447 1.989 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)c2ccc3c(c2)OCCO3)cn1 4985586 XCESFPVPURELAI-UHFFFAOYSA-N 341.367 1.321 0 40 EDAB O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)N1CCOCC1 6971942 GEDFFXOYWDLUFG-UHFFFAOYSA-N 349.406 1.113 0 40 EDAB CC[C@H](C)n1ncc(C(=O)N2CCN([C@@H](C)C(N)=O)CC2)c1C1CC1 90050131 BODXIXAKEXMRIO-STQMWFEESA-N 347.463 1.363 0 40 EDAB CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1n[nH]c2ccccc12 67331472 SWIHLRZBNFDWJP-INIZCTEOSA-N 336.395 1.992 0 40 EDAB Cc1cncc(C(=O)N2CCN(C3(C(N)=O)CCCCC3)CC2)c1 80209280 LQGXCRFQOWLIPK-UHFFFAOYSA-N 330.432 1.336 0 40 EDAB CCCCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 7398805 XDALDZUIHZBOJW-GFCCVEGCSA-N 338.429 1.916 0 40 EDAB CN(C)Cc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1 69388879 RHVHQHUEHJRXNU-UHFFFAOYSA-N 346.452 1.952 0 40 EDAB CC[C@H]1CN(CC(=O)NCc2cccc(OC)c2)CCN1C[C@@H](C)O 72279717 CSKKFWWTFFXXGV-WBVHZDCISA-N 349.475 1.088 0 40 EDAB CN(C[C@@H]1CCCCO1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 71821458 MGPKAVYSBPLRBH-JCVNQNCUSA-N 332.400 1.591 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)n1 71839649 FQEPJSMCVZBOOH-UHFFFAOYSA-N 346.435 1.351 0 40 EDAB Cc1nn2cccnc2c1C(=O)N1CCC(Nc2cccnn2)CC1 71863402 VLDIGVDYOJUWHU-UHFFFAOYSA-N 337.387 1.544 0 40 EDAB CS[C@H](C)C(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1 71858633 JAPMJKODWFRTQX-LLVKDONJSA-N 344.458 1.398 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(CC(=O)NC3CCCCCC3)CCO2)n1 72253431 CXBLOWXBWHQKQV-KRWDZBQOSA-N 349.479 1.435 0 40 EDAB CCOC(=O)C1(NCC(=O)NC2CCCC2)Cc2ccccc2C1 71912051 DCMBUMFHAOCSLO-UHFFFAOYSA-N 330.428 1.736 0 40 EDAB O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1cccnc1 97238318 WTCJXLWJCINVPW-SFHVURJKSA-N 325.412 1.968 0 40 EDAB Cn1cc(N2CCC[C@@H](NC[C@@H]3CCCn4ccnc43)C2=O)cn1 84318620 MGJQWLZASHOUPZ-DZGCQCFKSA-N 328.420 1.279 0 40 EDAB O=C(Cn1cnnn1)Nc1cccc(OCCN2CCCCC2)c1 95393058 JUSSMPVFIHBRDC-UHFFFAOYSA-N 330.392 1.177 0 40 EDAB Cc1cnn(CCNCc2c(C)n(C)n(-c3ccccc3)c2=O)c1 95373366 FRJPYJFETNCEIS-UHFFFAOYSA-N 325.416 1.779 0 40 EDAB O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc2ccccc2c1 84606030 OHWKKURLKRHPSV-IAGOWNOFSA-N 346.452 1.981 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)CCCc3sccc32)C[C@H]1N(C)C 84714285 WTEWGLNPQJMSIL-GXTWGEPZSA-N 335.473 1.826 0 40 EDAB CN(CCn1cnnc1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 95439800 LRWHEZMABZBQCC-UHFFFAOYSA-N 332.788 1.532 0 40 EDAB CN1CCO[C@@H](C(=O)N2CCC[C@H](n3nccc3C(F)(F)F)C2)C1 95466192 DVNFWUMULCJRRP-NWDGAFQWSA-N 346.353 1.396 0 40 EDAB CC1CCN(C(=O)c2ccc(NC(=O)NC[C@@H](O)CO)cc2)CC1 95446519 VWXXESKIJYJPKT-OAHLLOKOSA-N 335.404 1.033 0 40 EDAB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCC(C)(CO)CC1 95941068 XPCUGVCDWYGZJL-HVHJFMEUSA-N 330.428 1.826 0 40 EDAB C[C@H]1CN(c2ccccc2CNC2CCN(C(N)=O)CC2)C[C@H](C)O1 88722279 NWLPQTAUJJMZRY-GJZGRUSLSA-N 346.475 1.933 0 40 EDAB CCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1Cl 89272290 GBLCNIYAXVZLBP-SNVBAGLBSA-N 333.841 1.480 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCN1CCCCC1 89295902 AWQNWWCIVBMOHK-AWEZNQCLSA-N 334.468 1.851 0 40 EDAB OC[C@H]1CCCN1C[C@@H]1CCCN1Cc1nc(-c2ccco2)no1 75094065 INMRFLJDZGBZGC-UONOGXRCSA-N 332.404 1.751 0 40 EDAB Cc1cnc(CN(C)[C@@H]2CCN(CC(=O)NCc3cccs3)C2)o1 89702279 CRPJBBHZDYINLT-CQSZACIVSA-N 348.472 1.867 0 40 EDAB CC[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@H]1N(C)C 89948464 YKOYTCBDXDHFMQ-WCQYABFASA-N 345.365 1.666 0 40 EDAB CC[C@@H](C(=O)c1ccc(C)cc1)c1cnc2n(C)c(=O)[nH]c(=O)n12 28527394 WAZLPKIOLDXWPK-GFCCVEGCSA-N 326.356 1.406 0 40 EDAB CC(=O)NCCc1ccc(C(=O)O)cc1I 39952464 TUOKQFSQMAQKMG-UHFFFAOYSA-N 333.125 1.668 0 40 EDAB O=C(O)c1ccc(CNC(=O)[C@H]2COCCN2CC(F)(F)F)cc1 519400696 MTKGFTYXCSNXPP-GFCCVEGCSA-N 346.305 1.264 0 40 EDAB CNC(=O)c1cc(O[C@H]2CCCN(c3cc(C)nc(C)n3)C2)ccn1 521398528 MEGAPFKFBCQLGJ-HNNXBMFYSA-N 341.415 1.896 0 40 EDAB O=C(NS(=O)(=O)c1cnccn1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 152484404 QHCRDKMMDFENHM-NEPJUHHUSA-N 337.788 1.739 0 40 EDAB O=C(NCCCc1c[nH]c2ccccc12)NC[C@@H]1CCS(=O)(=O)C1 78663402 KQODHWIGJUBFPM-ZDUSSCGKSA-N 349.456 1.834 0 40 EDAB C[C@H](NC(=O)CN1CCCCC1)c1cc(O)nc(-c2ccncc2)n1 72390196 RBIHGXNTFFHVER-ZDUSSCGKSA-N 341.415 1.907 0 40 EDAB Cc1nc2cc(-c3nccn3C)nn2c(N2CCC(O)CC2)c1C 72338500 ZHDYTZDRDQFKIX-UHFFFAOYSA-N 326.404 1.708 0 40 EDAB CC[C@@H]1CN(C(=O)CN2CCCC2=O)CCN1Cc1ccccc1 185338199 QQDWFMBUCKDHOZ-QGZVFWFLSA-N 329.444 1.732 0 40 EDAB O=S(=O)(c1cncc(Br)c1Cl)N1CCOCC1 72210961 LFHWUXQBGXGHTP-UHFFFAOYSA-N 341.614 1.518 0 40 EDAB O=C([C@H]1CCCCN1CCc1ccc2c(c1)CCO2)N1CCOCC1 75711373 SDOMIYBXCRVEIS-GOSISDBHSA-N 344.455 1.877 0 40 EDAB O=C(CN1CC(=O)Oc2ccccc21)Nc1ccc2c(c1)OCCO2 71279764 OKHATWXSDQGENT-UHFFFAOYSA-N 340.335 1.822 0 40 EDAB c1cnc(N2CCC[C@@H]2c2cncc(CN3CCOCC3)n2)nc1 72366112 JLOYMGFHQNCRAB-MRXNPFEDSA-N 326.404 1.440 0 40 EDAB COc1cccc([C@H](C)N2CCN(C(=O)C3(C(=O)O)CC3)CC2)c1 565044211 PKEGXOQPCVAWQU-ZDUSSCGKSA-N 332.400 1.765 0 40 EDAB COCC(=O)N1CCC[C@@H](c2ccnc(Nc3ncccn3)n2)C1 72377806 RABTXFHNFGNXGB-GFCCVEGCSA-N 328.376 1.363 0 40 EDAB Cc1ccc(-n2cc(S(=O)(=O)N3CC[C@@H](N)C[C@H]3C)cn2)cc1 521394661 YXSJPWBKXDTVQW-ZIAGYGMSSA-N 334.445 1.681 0 40 EDAB COCCN(C)CCNC(=O)Cc1ccc(Br)s1 72573997 CZUUUGLLQJZAQJ-UHFFFAOYSA-N 335.267 1.748 0 40 EDAB COCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241369 JHDOVHXBDYEYJV-LSDHHAIUSA-N 340.807 1.391 0 40 EDAB O=C1CCSC[C@H](C(=O)NCCCn2cnc3ccccc32)N1 226753943 GWVJXXMAWFOHIQ-CYBMUJFWSA-N 332.429 1.164 0 40 EDAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccco1 85467704 HOEKOMWJNPBTBM-CQSZACIVSA-N 331.347 1.785 0 40 EDAB CN(CCO)S(=O)(=O)c1ccccc1CNc1ncccc1F 84486634 OMZCPTZAMURDHS-UHFFFAOYSA-N 339.392 1.446 0 40 EDAB NC(=O)c1cc([C@@H]2CCCCN2C(=O)c2cnc(O)c(Cl)c2)n[nH]1 225556591 NOFYQXBPZAOSHZ-LBPRGKRZSA-N 349.778 1.630 0 40 EDAB CNS(=O)(=O)c1cc(NC(=O)NCc2ccncc2)ccc1C 43691952 LBGABDWOOXZXNC-UHFFFAOYSA-N 334.401 1.620 0 40 EDAB Cc1cc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)no1 40287146 GRLMTLRUDMWIRW-UHFFFAOYSA-N 334.353 1.735 0 40 EDAB CNC(=O)c1cccc(NC(=O)c2cc(NC(=O)C(C)C)n(C)n2)c1 46089006 FAGXICNGZZJPEY-UHFFFAOYSA-N 343.387 1.627 0 40 EDAB CSCC[C@H](N)C(=O)N1CCCN(c2nc(C)cs2)CC1 195543768 YNAYDDFCDSEKCC-LBPRGKRZSA-N 328.507 1.571 0 40 EDAB CNC(=O)C[C@H]1CC2(CCN(C(=O)COC)CC2)c2ccccc21 96052598 AIIWBPSNEXGZRI-AWEZNQCLSA-N 330.428 1.817 0 40 EDAB Cc1ccnc(OC[C@]23COC[C@H]2CN(C(=O)c2cccn2C)C3)n1 96111012 SEECKNCTYOQNJZ-KDOFPFPSSA-N 342.399 1.291 0 40 EDAB Cn1c(=O)c2c(nc3n2CCN(c2ccc(Cl)cc2)C3)n(C)c1=O 96306548 JOJMEKIQIVONGO-UHFFFAOYSA-N 345.790 1.107 0 40 EDAB Cn1cnnc1[C@H]1CCCN1C(=O)NCCc1ccc2c(c1)CCO2 95453729 CWUZDTQJFIMLBJ-OAHLLOKOSA-N 341.415 1.839 0 40 EDAB Cc1ccc(CN2CCc3c(C(=O)N4CCN(C)CC4)n[nH]c3C2)o1 96187454 YVOTTWYIPZVBFL-UHFFFAOYSA-N 343.431 1.257 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1csc(-c3cnn(C)c3)n1)C2 97199184 UYAXGMHMWAAHFS-GFCCVEGCSA-N 342.428 1.793 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c1C 97230307 UVWUDNYPBDIZDM-ZDUSSCGKSA-N 331.420 1.438 0 40 EDAB C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2F)[C@H]1C(=O)O 1594433373 ZLNAEOXHSFXYTD-KSBSHMNSSA-N 349.311 1.147 0 40 EDAB Cc1nccc(N2CCN(C(=O)N[C@H](C)c3cnn(C)c3)CC2)n1 97376483 HTKGIDPIDAXQSW-GFCCVEGCSA-N 329.408 1.111 0 40 EDAB CC(C)Cn1cc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cn1 96192228 XKEFJLMXXKWVCD-HIFRSBDPSA-N 334.420 1.187 0 40 EDAB O=C(NCCNC(=O)C(F)(F)C1(O)CCC1)c1ccc(F)cc1F 97230244 OOUUHWLSXXCKPA-UHFFFAOYSA-N 348.296 1.361 0 40 EDAB O=C(NCCN1CCOCC1)c1ccnn1-c1ccc2ccccn12 96266948 PYEMNJQGYLTDNX-UHFFFAOYSA-N 339.399 1.187 0 40 EDAB O=C(CCN1CCCS1(=O)=O)NC[C@@H]1CSc2ccccc21 579798804 KCVZTKORMNNPCS-GFCCVEGCSA-N 340.470 1.418 0 40 EDAB CCn1nc(C(=O)NCCNc2ccc3ccccc3n2)ccc1=O 96436759 LZODQDLQALTXAG-UHFFFAOYSA-N 337.383 1.653 0 40 EDAB CCn1cc(S(=O)(=O)NCCOc2cncc(Cl)c2)cn1 583651856 UGXGVCNRYOFADU-UHFFFAOYSA-N 330.797 1.309 0 40 EDAB O=C(c1cscn1)N1CCN2C[C@H](OCc3ccccn3)C[C@H]2C1 96183488 VRGABNHTTMXUMA-LSDHHAIUSA-N 344.440 1.654 0 40 EDAB CNC(=O)c1cc2c(nc1NCC(C)C)CCN(CCOC)CC2 96260494 YJUSSCPICKUQGS-UHFFFAOYSA-N 334.464 1.556 0 40 EDAB C[C@@H](C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)n1cccc1 95448729 OINUCTJFSIBUIG-NSHDSACASA-N 341.458 1.677 0 40 EDAB C[C@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 583622982 CDDYXJLPQCRDGS-ZOBORPQBSA-N 336.436 1.530 0 40 EDAB O=C(NCCc1ccco1)N1CCn2c(nnc2C(F)(F)F)C1 96417602 ROKXMUIMQQCWNC-UHFFFAOYSA-N 329.282 1.658 0 40 EDAB Cc1ncsc1CN1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1 96107879 KYXOWFRJJQJEQX-GXTWGEPZSA-N 345.490 1.124 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)ccc1-n1cnnn1 245230735 XUWOEJBGWJFZQK-OBJOEFQTSA-N 333.417 1.438 0 40 EDAB Cc1nc(COC[C@@H]2CN(CC(=O)N(C)C)Cc3ccnn32)cs1 247969871 HHUWSNDJKHQNFX-HNNXBMFYSA-N 349.460 1.310 0 40 EDAB Cc1ccc(CN2CC3(CC[C@@H](CNS(C)(=O)=O)CO3)C2)o1 248098485 NDIOYJPHGVTXAW-ZDUSSCGKSA-N 328.434 1.118 0 40 EDAB C[C@@H]1CN(c2nccc(CN3CCN4CCC[C@H]4C3)n2)C[C@@H](C)O1 253604450 VXDSJMYLSONGSN-INMHGKMJSA-N 331.464 1.370 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)ncn1 257302645 SDRKAKYTRZNAOD-QGZVFWFLSA-N 343.431 1.311 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2ccncc2)n1 257221408 DOYIZJSUTKZLFE-INIZCTEOSA-N 325.372 1.485 0 40 EDAB O=C1CO[C@H]2CCN(C(=O)C3(c4ccccc4F)CC3)CC[C@@H]2N1 257225712 FHKYGFXPLYYAFY-GJZGRUSLSA-N 332.375 1.363 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)CCc2c(C)noc2C)CCO1 257209183 BPHVUDRDGHVHNR-AWEZNQCLSA-N 345.403 1.656 0 40 EDAB O=C(c1ccc2c(c1)CCCC2)N1CC[C@](O)(CN2CCOCC2)C1 257301193 RXJIFPRLFZIJIA-FQEVSTJZSA-N 344.455 1.475 0 40 EDAB C[C@H](NC(=O)COC[C@H]1CCCO1)c1ccc(N2CCNC2=O)cc1 585089796 CNPSARDBVIMTGN-XJKSGUPXSA-N 347.415 1.589 0 40 EDAB CS(=O)(=O)c1ccc(CN2CCO[C@H](c3cnccn3)C2)cc1 257220177 DJWDSYQRXQJGEJ-INIZCTEOSA-N 333.413 1.454 0 40 EDAB CO[C@H]1CCCN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 585115594 JIBNIJLQSRFKLF-ZDUSSCGKSA-N 348.465 1.294 0 40 EDAB CNc1nccnc1[C@H]1CN(S(=O)(=O)c2ccccc2)CCO1 257309637 UBTUEQKFFRMDFB-CYBMUJFWSA-N 334.401 1.281 0 40 EDAB CCC[C@@H](C(=O)OCC)S(=O)(=O)N[C@@H](C)Cc1c(C)noc1C 585115583 JBXRTUOJXZZWJX-HZMBPMFUSA-N 346.449 1.874 0 40 EDAB CCc1ncnc(O[C@H]2CCN(C(=O)Cc3cccnc3)C2)c1F 253472096 IZZIZVQULVYNPX-ZDUSSCGKSA-N 330.363 1.796 0 40 EDAB C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1ccc(CO)cc1 585126300 VRMINOFCXRLUKG-LJQANCHMSA-N 340.379 1.524 0 40 EDAB CN(C)C(=O)[C@]1(CCCc2ccccn2)CCCN(CC(N)=O)C1 257251122 JPMAATBOSDPZRH-GOSISDBHSA-N 332.448 1.060 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC3(CC=CCOC3)CC2)c1C 257243042 IFGXSURGMFOYCZ-UHFFFAOYSA-N 339.461 1.959 0 40 EDAB O=S(=O)(c1cccs1)N1CCOC[C@@H](Cc2ccncn2)C1 257255025 KFUIKSCPZJBGLV-LBPRGKRZSA-N 339.442 1.418 0 40 EDAB Cc1nccc(N2CCC[C@@H](Cc3[nH]ncc3S(C)(=O)=O)C2)n1 257260902 LEYSYVIGEJVNAA-LBPRGKRZSA-N 335.433 1.371 0 40 EDAB CN(C)C[C@]1(O)CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 257275302 NOUCLAFHXSGPOO-IBGZPJMESA-N 342.443 1.996 0 40 EDAB Cn1cc(S(=O)(=O)N2C[C@H]3CC[C@H](Cc4cccnc4)[C@H]3C2)cn1 257342762 ZQBDMQSQVVPKSM-BFYDXBDKSA-N 346.456 1.705 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccsc3)C2)ncn1 257210340 BUEWPOYOKTWLFW-MRXNPFEDSA-N 332.429 1.608 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)O)CC1 262868650 WGFIQEZLTGFUID-SUMWQHHRSA-N 339.436 1.530 0 40 EDAB CO[C@@H]1[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1(C)C 272016633 WVMUZELDWCOECP-COLVAYQJSA-N 340.445 1.983 0 40 EDAB COC(=O)[C@H]1CCn2c(nnc2C(=O)NCc2ccc(Cl)cc2)C1 601044236 KVRUNIFOYSBCTH-NSHDSACASA-N 348.790 1.597 0 40 EDAB Cc1c(C)[n+](C)c([C@@H](CC(=O)O)c2coc3ccccc3c2=O)n1O 604405239 OEWQDWYXSRFMKD-ZDUSSCGKSA-O 343.359 1.880 0 40 EDAB biogenic CCn1cc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2N2CCCC2)cn1 1615002020 VTJLARHRDFRKTL-ZBFHGGJFSA-N 340.493 1.836 0 40 EDAB C[C@@H]1CN(C(=O)CCCn2nnc(-c3ccccc3)n2)C[C@@]1(C)CN 1615581383 QGSVQRFNXWWOQU-RDTXWAMCSA-N 342.447 1.564 0 40 EDAB CCc1c(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)nnn1CC 1615546412 OCBKDYBTFCBVAT-CHWSQXEVSA-N 331.342 1.132 0 40 EDAB Cn1cc(S(=O)(=O)N2C[C@@H](CCC(=O)O)Cc3ccccc32)cn1 1616035254 XOWPEVTZRSBDDV-LBPRGKRZSA-N 349.412 1.653 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@H](CNC(=O)c3ccncc3)CO2)C1 575405628 SSUCVEZXQKUJBV-IIAWOOMASA-N 343.427 1.475 0 40 EDAB Cc1ccccc1OC[C@]1(O)COCCN(C(=O)c2nccn2C)C1 585276030 LHVYJYLGYIKXLK-GOSISDBHSA-N 345.399 1.011 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4ccnn4C)C[C@H]3C2)cs1 585107603 OWGYRMUPUWZVNV-CHWSQXEVSA-N 331.445 1.389 0 40 EDAB CC(=O)N1CCC[C@@]1(CO)CC(=O)NCc1ccc(F)cc1F 585280553 KKJGILREBGFGCL-INIZCTEOSA-N 326.343 1.345 0 40 EDAB Cc1nc(S(=O)(=O)Nc2ccc(C(=O)O)c(Cl)c2)cn1C 50253322 YBKOXYUIGPAQQR-UHFFFAOYSA-N 329.765 1.881 0 40 EDAB CNC(=O)CN(C)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 52987938 IPEVDFOTJZTEEW-UHFFFAOYSA-N 331.420 1.954 0 40 EDAB Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCCN(C(N)=O)CC1 98016286 NRXRACGLIIAZKG-OAHLLOKOSA-N 332.448 1.428 0 40 EDAB CCc1cc(CNC(=O)c2ccc(-n3cnnn3)cc2Cl)on1 78126592 ZTWRFWJGGVHART-UHFFFAOYSA-N 332.751 1.796 0 40 EDAB CN1C(=O)C[C@@H](NCc2nc(-c3ccco3)no2)[C@@H]1c1cccnc1 583620205 WYAQJPFHLJHXBB-WBMJQRKESA-N 339.355 1.786 0 40 EDAB Cc1ccc(N2CN=c3s/c(=C\c4ccco4)c(=O)n3C2)cc1 121190 IAQCGMRGMMJFED-DHDCSXOGSA-N 325.393 1.695 0 40 EDAB C/C=C/C=C/C(=O)O[C@H]1CC/C=C/[C@@H](O)[C@@H](O)[C@@H](CCC)OC1=O 4097624 TXPRZPDVUZCNLB-KRTNHDJISA-N 338.400 1.814 0 40 EDAB biogenic,in-vitro CC/N=c1\nc(NCC)nc2n1[C@@](O)(c1ccc(OC)cc1)CS2 5716237 APNHFJPHPIEXKQ-INIZCTEOSA-N 347.444 1.438 0 40 EDAB Cc1cnc(C(=O)N2Cc3ccccc3O[C@@H](CN(C)C)C2)cn1 12235115 ZQMXFKUGLHIPAS-HNNXBMFYSA-N 326.400 1.750 0 40 EDAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3cnn(C)c3C)cc2n1 12337029 RKCNTPPUKWNKNQ-AWEZNQCLSA-N 340.387 1.763 0 40 EDAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N=C(N2CCCCC2)N1 17071849 CPVSLFKZYCHWKG-CQSZACIVSA-N 344.415 1.673 0 40 EDAB CN(C)c1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cn1 18228543 ZPYUDSUDYJQSQW-CHWSQXEVSA-N 330.388 1.261 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 252478062 ABSKIRDUYHHLDW-RDBSUJKOSA-N 329.393 1.749 0 40 EDAB C[C@H](OC(=O)COc1ccc(Br)cc1Cl)C(N)=O 7330326 CKKKTCPORMOHTD-LURJTMIESA-N 336.569 1.898 0 40 EDAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 13986601 LRDUBCIPNNKNHU-CQSZACIVSA-N 331.807 1.479 0 40 EDAB CC(=O)N1CCC(C(=O)NC[C@H](C)N2CCc3sccc3C2)CC1 32428535 VASVNDHITKZYLV-ZDUSSCGKSA-N 349.500 1.869 0 40 EDAB CSc1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O 32689161 OQXKIJMLBIAPAL-UHFFFAOYSA-N 333.369 1.300 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)[C@@H](C)Oc3ccc(F)cc3)C2)n1 1775995325 NZRKBQADGKJBBF-CYBMUJFWSA-N 345.374 1.617 0 40 EDAB COC1(CC(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC(C)C)C2)CCC1 1565545448 FHOKPFAANIBUNU-QLFBSQMISA-N 338.448 1.334 0 40 EDAB O=C(c1cc[nH]c1)N1Cc2c(N3CCCC3)ncnc2-n2nccc2C1 1565551456 QVMLJVGBQNEHAS-UHFFFAOYSA-N 349.398 1.747 0 40 EDAB CCOCC(=O)N[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055746343 QCWJRIYPEFVCNC-LBPRGKRZSA-N 335.404 1.357 0 40 EDAB Cc1ccc(OCC2CCN(c3ncnc4[nH]cnc34)CC2)nn1 1775965586 FBTKESWZCOOIDJ-UHFFFAOYSA-N 325.376 1.747 0 40 EDAB O=C(CCc1cccc(Cl)c1)N1CC[C@H](N2C(=O)COC2=O)C1 225700977 FEMWKGHSLAGSEX-ZDUSSCGKSA-N 336.775 1.852 0 40 EDAB Cn1nc(C(=O)NCc2nccnc2-c2ccsc2)ccc1=O 575617803 AFCWTAHWTSKCAU-UHFFFAOYSA-N 327.369 1.229 0 40 EDAB O=S(=O)(NC[C@@]1(O)C=CCCC1)c1ccc(-n2cccn2)cc1 618256707 LBDRSTLZSDVPTL-MRXNPFEDSA-N 333.413 1.622 0 40 EDAB O=C(N[C@@H]1CCC[C@H]1O)c1nn(-c2ccccc2)cc1CCCO 97104324 VVKKYGHJQOZZQO-HZPDHXFCSA-N 329.400 1.440 0 40 EDAB Cc1noc([C@@H](C)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 30198892 OTCXRJJVKGZSHW-GFCCVEGCSA-N 332.379 1.965 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCCN1CCCCCC1=O 40485767 JFXRKJJBUPVDID-UHFFFAOYSA-N 329.422 1.362 0 40 EDAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)cc1 40488240 WLTFJLKPEPQLDS-MRXNPFEDSA-N 340.445 1.799 0 40 EDAB Cc1cc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)on1 31628592 AGDQQVQZGJUBHZ-UHFFFAOYSA-N 330.369 1.882 0 40 EDAB O=C(COc1ccc(F)cc1)N[C@@H]1CCCN(c2ncccn2)C1 40553758 PDELZNNNGHUARO-CQSZACIVSA-N 330.363 1.780 0 40 EDAB O=C(NCCCN1CCCC1=O)[C@H]1CC(=O)N(c2ccccc2)C1 40511891 CSOKIQUZUVKVMC-AWEZNQCLSA-N 329.400 1.168 0 40 EDAB CC1(C)NC(=O)N(CCCn2nnc(-c3ccc(Cl)cc3)n2)C1=O 40515565 UEQMVYSERCIGHM-UHFFFAOYSA-N 348.794 1.714 0 40 EDAB Cc1nc(C)c(CC(=O)NCCOc2c(C)cccc2C)c(=O)[nH]1 40536191 JZYPOWSEHPKFSJ-UHFFFAOYSA-N 329.400 1.741 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N2CCc3ccccc32)no1 46154814 XTQWBMORSFSKNS-GFCCVEGCSA-N 334.397 1.876 0 40 EDAB CCN1C[C@H](C(=O)N2CCCN(Cc3ccccc3)CC2)CC1=O 46180658 FMIVAWJPQZQUCS-QGZVFWFLSA-N 329.444 1.589 0 40 EDAB O=S1(=O)c2ccccc2C2C1C1c3ccccc3S(=O)(=O)C21 339639 IQZFZXBGCBIKBO-UHFFFAOYSA-N 332.402 1.879 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)NCCc1ccc(Cl)s1 46480120 ACCWRQWJLGFWPH-LLVKDONJSA-N 331.869 1.964 0 40 EDAB C[C@H](OCC1CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 69484025 JSISDTRWFKOWHQ-SUMWQHHRSA-N 330.428 1.808 0 40 EDAB COc1ccc2c(CC(=O)NCC(=O)NC(C)(C)C)cc(=O)oc2c1 69489957 MRLCHTYGNOMYPN-UHFFFAOYSA-N 346.383 1.375 0 40 EDAB NC(=O)[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 21446972 NISHMIHPFYNRBN-CJNGLKHVSA-N 342.351 1.398 0 40 EDAB COc1ccc(C)cc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102389728 RJAZHXSHWAACSA-BETUJISGSA-N 328.368 1.893 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NCc1cccc(N2CCCC2=O)c1 41177569 PLMQIUXCOTWAAX-AWEZNQCLSA-N 341.415 1.898 0 40 EDAB Nc1ccc(C(=O)OCCOCCOC(=O)c2ccc(N)cc2)cc1 3114363 ZBUIOKOKFSYRFY-UHFFFAOYSA-N 344.367 1.881 0 40 EDAB CCCn1c(O)c(C(=O)NNC(=O)C(C)C)c(=O)c2ccccc21 6493390 MDHKFSXWEFVXKK-UHFFFAOYSA-N 331.372 1.534 0 40 EDAB Cc1cc(C(=O)O[C@@H](C)C(=O)NC(N)=O)c(C)n1Cc1ccccc1 7575198 QJNHKJMUDFBYRA-ZDUSSCGKSA-N 343.383 1.893 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100474705 ITASIBIOHKWOKH-YIKOMLBNSA-N 330.384 1.151 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)n(C)c1 102445301 SDRVOYYMEBWSKP-SFTQSGBHSA-N 339.461 1.488 0 40 EDAB C[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@H]1N(C)C 76050572 TUEGYMWYBWAMLN-PWSUYJOCSA-N 331.338 1.276 0 40 EDAB Cc1ccccc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 8853080 NPAMEUIAVAOAGT-GFCCVEGCSA-N 349.412 1.099 0 40 EDAB COCCN(Cc1ccco1)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102811330 YMZKXDBNAHAMRF-GASCZTMLSA-N 346.383 1.206 0 40 EDAB Cc1nc(CN2C(=O)[C@H]3CN(Cc4ccccc4)C[C@@H]3C2=O)oc1C 97054599 HYUDLRPBVFLXEJ-HOTGVXAUSA-N 339.395 1.908 0 40 EDAB O=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1ccccc1 47266680 ACXKIAWJJPMVIK-UHFFFAOYSA-N 346.452 1.997 0 40 EDAB Cn1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c2ccccc21 47456243 FARODWROXUUAGP-UHFFFAOYSA-N 335.429 1.286 0 40 EDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1cc2ccccc2[nH]1 47635211 FSVPMVIGXYUFEE-QAPCUYQASA-N 343.427 1.635 0 40 EDAB CCC[C@@H]1NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O 23249036 JBDSWCVZVKXZPY-AWEZNQCLSA-N 336.461 1.544 0 40 EDAB COc1cc(CNC(=O)Cn2nc(-c3ccccc3)oc2=O)ccn1 42621537 KKDYFRGRQVKEBE-UHFFFAOYSA-N 340.339 1.223 0 40 EDAB C[C@@H]1CN([C@H](C)CNCc2ccc(-n3cncn3)c(F)c2)C[C@@H](C)O1 106559846 APKFZNRRGGZIJA-RBSFLKMASA-N 347.438 1.994 0 40 EDAB Cn1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)n1 25169311 FRUKUDKAKACWRZ-UHFFFAOYSA-N 344.343 1.005 0 40 EDAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(C[C@H]2CCCO2)CC1 34857725 XXIXJTWYESTJOW-CQSZACIVSA-N 344.864 1.825 0 40 EDAB CCC[C@](C)(CNC(=O)C[C@@H]1CCCO1)NC(=O)C[C@H]1CCCO1 106915663 VUVASKMLOZZXHO-HDMKZQKVSA-N 340.464 1.916 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 106922633 PTCKKZIVUDCMIJ-MAZHCROVSA-N 338.835 1.775 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccncc2)C1=O 26001217 JUBNIUCVPFLJHT-KDOFPFPSSA-N 342.399 1.466 0 40 EDAB COC(=O)N(C)CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 48048793 PHRCRFYIRCBPOL-INIZCTEOSA-N 336.388 1.969 0 40 EDAB COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 116549422 VBDMCZGBIBBIKC-GDBMZVCRSA-N 335.452 1.030 0 40 EDAB CC(=O)N[C@@H](CC(=O)N1CCC[C@H](n2cncn2)C1)c1ccccc1 72272230 IDPHSJXKKKTMAS-IRXDYDNUSA-N 341.415 1.709 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)CCn1nnc2ccccc2c1=O 48265585 VZYRQMPMANKAHD-CYBMUJFWSA-N 330.388 1.067 0 40 EDAB Cc1nc(C(=O)NCCCN2CCCC2)nn1-c1ccc(F)cc1 48236158 ILEFADSPRWQEFZ-UHFFFAOYSA-N 331.395 1.931 0 40 EDAB CCn1nnc2cc(C(=O)N3CCC[C@H](n4cncn4)C3)ccc21 72234717 GMVJJRSHKSYWLX-ZDUSSCGKSA-N 325.376 1.520 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)NCC(=O)N(C)C)cc2)C[C@H](C)O1 50082311 AQJBNKMNDYRULH-STQMWFEESA-N 334.420 1.510 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 44709382 NXOKVOSKKMJBGW-GXTWGEPZSA-N 327.377 1.160 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1c2c(nc3ccccc13)CCC2 44723860 OVOHZQDDOHZCDT-LBPRGKRZSA-N 344.436 1.888 0 40 EDAB CN(C)CCN(C(=O)c1cnc2n(c1=O)CCS2)c1ccccc1 58169372 FRRSODAZSLYFMQ-UHFFFAOYSA-N 344.440 1.557 0 40 EDAB COCCOc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1 58214283 ODSVETMDRUKIFT-DOTOQJQBSA-N 343.383 1.887 0 40 EDAB CCOC(=O)c1cc(C(N)=O)c(S[C@@H](C)C(=O)OCC)nc1C 58265248 PXVCHTHJUNJMTG-VIFPVBQESA-N 340.401 1.709 0 40 EDAB CCOC(=O)CN(C(=O)C1=NN(C)C(=O)CC1)c1ccc(F)cc1 58266711 NJHDQLRGLQSFIP-UHFFFAOYSA-N 335.335 1.330 0 40 EDAB COc1ccc(OC)c2c1CN(Cc1ccn(C)c(=O)c1)C[C@@H]2O 44975407 NVSXFPVQMDWONN-AWEZNQCLSA-N 330.384 1.452 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)N[C@H]1CCCCNC1=O)c1ccccc1 44967197 FJTDHQCJOAXAAY-GJZGRUSLSA-N 341.415 1.477 0 40 EDAB Cc1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[nH]c2=O)[nH]n1 58310101 WXMUPINYAJDCAQ-UHFFFAOYSA-N 338.371 1.743 0 40 EDAB C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCOCC1)n1cccn1 45053855 IKUMOZBDUIDDHH-UONOGXRCSA-N 334.445 1.695 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCC[C@@H]2CN2CCCC2)c2ccccc21 58412000 ZSFIJRAAGDZULN-OAHLLOKOSA-N 342.443 1.427 0 40 EDAB Cc1cc(N2CCN(Cc3nnc4n3CCCCC4)CC2)nc(N)n1 45725546 SXHDWIGXTUKEMM-UHFFFAOYSA-N 342.451 1.007 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@@H](O)c1ccc2c(c1)OCO2 2518285 BJQJOBNEPFXROF-NEPJUHHUSA-N 325.317 1.427 0 40 EDAB COc1cncc(N2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)n1 97107326 PHKLLXLCKNSPPJ-AWEZNQCLSA-N 326.400 1.938 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C[C@@H](C)O1 13152711 PEDJSUQELMFYGY-FHSNZYRGSA-N 345.399 1.089 0 40 EDAB COc1cc(C(=O)NC2(C(=O)O)CCCCC2)cc2c1OCCO2 13426238 LUAHBDVCSVVKLN-UHFFFAOYSA-N 335.356 1.984 0 40 EDAB O=C(O)[C@@H]1CC(=O)N(CCCN2CCOCC2)[C@H]1c1ccsc1 69819632 HTQUCFZYOGSTTI-HIFRSBDPSA-N 338.429 1.445 0 40 EDAB CS(=O)(=O)c1ccc(OCCNC(=O)Cc2cccs2)cc1 69809686 PTLJLPHJIWVQMN-UHFFFAOYSA-N 339.438 1.889 0 40 EDAB CC(C)CC(=O)N[C@]1(C(F)(F)F)N=C(O)N(Cc2ccco2)C1=O 13569927 IHNPLFJHWPRVLC-ZDUSSCGKSA-N 347.293 1.957 0 40 EDAB CCc1ccsc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 69571380 IGAVYDBPSOMYNP-STQMWFEESA-N 342.486 1.302 0 40 EDAB O=C(O)[C@@H]1CCC(=O)N(CCCn2cccn2)[C@@H]1c1cscn1 69557574 LNZASBMVCCHRKZ-RISCZKNCSA-N 334.401 1.794 0 40 EDAB CC(=O)N1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 39263483 GBEOPKMIZPSOFG-UHFFFAOYSA-N 331.294 1.327 0 40 EDAB CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCC[C@@H](CO)C1 69816801 JBIYDXFEZNWBSZ-MRXNPFEDSA-N 333.432 1.449 0 40 EDAB CCN(CC(=O)NC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 69667271 MELRVIMVPZOMFG-CQSZACIVSA-N 346.431 1.525 0 40 EDAB COC(=O)N1CCCN(C(=O)C(=O)Nc2cc(C)ccc2C)CC1 69820203 DHYWHEXTSITIBP-UHFFFAOYSA-N 333.388 1.543 0 40 EDAB O=C(C1CCOCC1)N1CCN(c2nc3cccnc3s2)CC1 69869887 GIBFTTYXEUQHRB-UHFFFAOYSA-N 332.429 1.767 0 40 EDAB O=S1(=O)N=C(CN2CCC[C@H]2Cn2cccn2)Nc2ccccc21 69740172 NVWSLILDRQCBJR-ZDUSSCGKSA-N 345.428 1.560 0 40 EDAB O=C1[C@@H](NS(=O)(=O)c2cccs2)CCN1c1ccccc1F 69744358 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1.797 0 40 EDAB CCCC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 8777949 YOQZLVLQRHBLGS-UHFFFAOYSA-N 340.445 1.265 0 40 EDAB COC[C@@H](C)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 15301100 RZPOPYKKCILFND-UKRRQHHQSA-N 334.416 1.746 0 40 EDAB COc1ccccc1CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 7398080 CEBYZQQGBOTJHA-QGZVFWFLSA-N 331.372 1.032 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CCc2nccn2C1 97197395 GHCFOZUCAPDMFA-ZDUSSCGKSA-N 337.383 1.114 0 40 EDAB CCc1nnsc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 8060842 ROZDXEJHIXNDKD-UHFFFAOYSA-N 340.430 1.603 0 40 EDAB C[C@H](C(=O)NCCOc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 8072666 CILAUFMHMLKRKE-BMFZPTHFSA-N 342.395 1.521 0 40 EDAB NC(=O)c1cccc(OCC(=O)N[C@H]2CCc3c(O)cccc32)c1 69352102 OVKQIOXQNGXBLK-HNNXBMFYSA-N 326.352 1.674 0 40 EDAB COCCOc1cccc(CNCc2ccc(-n3cncn3)nc2)c1 69375336 SLOWVJJXDDBEHW-UHFFFAOYSA-N 339.399 1.977 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccccc2)cc1-n1nnnc1C 69370936 NPPASPWNUHMTJX-UHFFFAOYSA-N 345.384 1.780 0 40 EDAB O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)c1ccccc1F 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349.406 1.783 0 40 EDAB CCN(Cc1ccoc1)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 71856711 LRXUNZVKVPLCFF-OAHLLOKOSA-N 336.436 1.399 0 40 EDAB NC(=O)C1(CNC(=O)c2ccc(C(F)(F)F)nc2)CCOCC1 71811809 DKTTXXVQODWOID-UHFFFAOYSA-N 331.294 1.112 0 40 EDAB COc1cc(C)ccc1NC(=O)N1CCN(C[C@H]2COCCO2)CC1 71911817 SDKMGWKNOJGSSC-HNNXBMFYSA-N 349.431 1.569 0 40 EDAB Cn1c(N)c(-c2csc(Nc3ccc(F)cc3)n2)c(=O)n(C)c1=O 9835619 BKHLTGZSQCWPFT-UHFFFAOYSA-N 347.375 1.672 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN[C@@H](C)C2)sc1Br 94541464 YUJPMUZIIZZVDN-QMMMGPOBSA-N 339.280 1.801 0 40 EDAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C(N)=O)c1ccccc1 84736226 FOUWHUPCKRBCST-XYPHTWIQSA-N 329.444 1.840 0 40 EDAB CC[C@@H](O)CCNC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 95418767 WFQWZDHKPSCWCZ-OAHLLOKOSA-N 345.447 1.716 0 40 EDAB C[C@H]1CN(C(=O)NOCc2cccnc2)CCN1CC(F)(F)F 95447412 CABRCTKNRCBTOS-NSHDSACASA-N 332.326 1.791 0 40 EDAB O=S(=O)(c1cccc(F)c1F)N1CCCC[C@H]1c1nc[nH]n1 95455696 LSENVJMQRJMQEU-JTQLQIEISA-N 328.344 1.999 0 40 EDAB O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(NC(=O)[C@H]2CCCO2)c1 95991986 QGROGVRJKBEBKY-NWANDNLSSA-N 346.383 1.787 0 40 EDAB CCOC(=O)[C@@H](C)N(C)S(=O)(=O)c1cc(OC)ccc1OC 75110668 QRTYYLFQBQEHHA-SNVBAGLBSA-N 331.390 1.276 0 40 EDAB CC(=O)C[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 89894474 SZDPBOOUMYWTCH-BTDLBPIBSA-N 349.362 1.077 0 40 EDAB C[C@H](NC(=O)NC(C)(C)C)[C@H]1CCCN(C(=O)c2cnns2)C1 89894260 KBUQSCZXVSQRTD-QWRGUYRKSA-N 339.465 1.877 0 40 EDAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccc(C)o3)CC[C@@H]21 306135442 OQXMRDDSWGZBRG-RYRKJORJSA-N 343.431 1.691 0 40 EDAB O=C(NCC[C@H]1CN(CC2CCC2)Cc2ccnn21)c1cnccn1 306140057 UIJZAOWNMCLHIS-HNNXBMFYSA-N 340.431 1.650 0 40 EDAB C[C@@H](CNC(=O)c1ccc(-n2cncn2)cc1)N1C[C@@H](C)O[C@H](C)C1 32430709 MXNBIBVCEVHJFJ-RRFJBIMHSA-N 343.431 1.495 0 40 EDAB O=c1cc(CO)oc(CN2CCN(c3ccc(F)cc3)CC2)c1O 61722200 CQDKMAJEXQQLNN-UHFFFAOYSA-N 334.347 1.299 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(C)c(C)n1C[C@H]1CCCO1 32719386 HXAYYJJKMHWBIW-VXGBXAGGSA-N 340.449 1.615 0 40 EDAB CCCNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1C 408626786 WZSNJJGPFQUEQI-CYBMUJFWSA-N 340.445 1.592 0 40 EDAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@@]2(COC)C(=O)O)cc1 218470870 IKRLAWHJHXNVRB-YCPHGPKFSA-N 326.414 1.867 0 40 EDAB C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCc1ccc(F)cc1F 79098695 YAXCUYQZYVBBSX-QWRGUYRKSA-N 348.415 1.970 0 40 EDAB Cc1cc(N(C)C)nc([C@]2(C)CCCN2C(=O)Cn2cccn2)n1 72388459 GGXMHLSHNRDKFN-KRWDZBQOSA-N 328.420 1.585 0 40 EDAB COC(=O)[C@H]1C[C@@H](O)CN1Cc1nc2cc(C(F)(F)F)ccc2o1 185519075 FXXIWQXHXGVPFE-MWLCHTKSSA-N 344.289 1.955 0 40 EDAB O=C(c1ccc2ncsc2c1)N1CCN(CCn2cccn2)CC1 62153594 OOJXUEBYDOTESK-UHFFFAOYSA-N 341.440 1.951 0 40 EDAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C(=O)O)cc1 218616566 YTWWPAWCLSQKMQ-LZLYRXPVSA-N 345.420 1.971 0 40 EDAB O=C(O)c1cc(O)n(-c2ccc(I)cc2)n1 217712155 RYXMANFBEJWNKC-UHFFFAOYSA-N 330.081 1.881 0 40 EDAB O=C1CCSC[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N1 75171499 GYTLWTTZSHHWAM-NSHDSACASA-N 348.346 1.823 0 40 EDAB CC(C)(C)c1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 42646585 QEVSLNIXKAADLI-UHFFFAOYSA-N 333.432 1.371 0 40 EDAB C[C@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1F)c1nnn[nH]1 134051490 KRCHRXKFUACSKF-SSDOTTSWSA-N 333.776 1.416 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCO1)N1CCc2c(nc(C3CC3)n2C)C1 83967363 ZAEJFPASIKXBPI-TZMCWYRMSA-N 332.448 1.339 0 40 EDAB O=S(=O)(C[C@H]1CCCCO1)N1CC[C@H](c2nc(C3CC3)no2)C1 328893291 AEUMIORUGSFWPW-QWHCGFSZSA-N 341.433 1.635 0 40 EDAB COc1ccccc1CCNC(=O)c1nnn(-c2ccc(F)cc2)n1 75163554 YVBRYKBZGBBFOJ-UHFFFAOYSA-N 341.346 1.783 0 40 EDAB CN(C)S(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1 222758245 VSMQZWFXZNAHDW-UHFFFAOYSA-N 328.434 1.478 0 40 EDAB Cc1nn(C(C)(C)C)cc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 570699210 SGBBSGJHJYFWCC-CYBMUJFWSA-N 337.420 1.804 0 40 EDAB CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCO 223045524 SUPQSRYNIDVLDX-IBGZPJMESA-N 340.423 1.755 0 40 EDAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617841 YFMWAVOBTINNPV-SFHVURJKSA-N 326.400 1.346 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)CCn1cnnn1)c1nc2ccccc2[nH]1 583652574 QPOQMCORBGTGQP-IAQYHMDHSA-N 327.392 1.843 0 40 EDAB CCOC(=O)C1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 144157865 QZHAFWVQZMTJLK-UHFFFAOYSA-N 342.395 1.803 0 40 EDAB CCS(=O)(=O)N1C[C@H]2CC[C@@]3(N=C(C)N(CC4CC4)C3=O)[C@H]2C1 96261488 PNUQCQJDKRZKAO-IJEWVQPXSA-N 339.461 1.087 0 40 EDAB COCCN1CC[C@]2(COCCN(C(=O)c3cccc(F)c3)C2)C1 96201992 QNJBMURQSTVCLS-SFHVURJKSA-N 336.407 1.637 0 40 EDAB CCc1nnc(NC(=O)c2nn(C)c(OC)c2Br)s1 96181019 HJOYCQBYMXVAMU-UHFFFAOYSA-N 346.210 1.857 0 40 EDAB CCN1C[C@@]2(CC1=O)CN(Cc1ccc(C)o1)CCN(C(C)=O)C2 96036136 UCJJIVHFFIIWFP-GOSISDBHSA-N 333.432 1.491 0 40 EDAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1nn(C)c2ccccc12 96041472 HTTHXNOMXRONRO-ZMSDIMECSA-N 329.400 1.982 0 40 EDAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccncc3)C[C@H]12)c1ccno1 96185497 OIHAHLXFFGQMOR-YQQAZPJKSA-N 342.399 1.337 0 40 EDAB Cc1cc(C(=O)N2Cc3nccn3C[C@H](COCC3CC3)C2)no1 96187908 MKSJIZZWTXCZBD-AWEZNQCLSA-N 330.388 1.878 0 40 EDAB C[C@@H](CCN1CCOCC1)NC(=O)c1ccc(-n2cncn2)c(F)c1 96426500 XDEBKPFDEGCNJZ-ZDUSSCGKSA-N 347.394 1.247 0 40 EDAB Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2cccc(F)c2)cn1 96063921 MZROBPVRMXAAGA-CABCVRRESA-N 328.347 1.579 0 40 EDAB O=C(c1cccc(-n2cccn2)c1)N1CC[C@@H](N2CCOC2=O)C1 618254195 NTEGCPVEQZGMFG-OAHLLOKOSA-N 326.356 1.539 0 40 EDAB CS(=O)(=O)[C@@H]1CCCN(Cc2nc(CC(F)(F)F)no2)C1 330367833 GXKCSOMIOXJBAZ-MRVPVSSYSA-N 327.328 1.183 0 40 EDAB CN1c2ccccc2N(CCNC(=O)c2cccs2)S1(=O)=O 253471748 FJUNGTNDJXSMOY-UHFFFAOYSA-N 337.426 1.679 0 40 EDAB CC(C)[S@](=O)c1ccc(C(=O)N2CCO[C@@H](C(=O)O)C2)cc1 584908048 HSFQFBXIPLVJJK-DMZKTXOQSA-N 325.386 1.128 0 40 EDAB COc1ccc([C@H]2CN(C(C)=O)CCN2C(=O)c2cnccn2)cc1 257312206 UMWDKSMESFHWHK-QGZVFWFLSA-N 340.383 1.531 0 40 EDAB NC(=O)C1CCN(CCCCNC(=O)Nc2nccs2)CC1 43160427 PZCGITWVWVWVFZ-UHFFFAOYSA-N 325.438 1.242 0 40 EDAB CC(=O)N1CC2(CCN(Cc3ccnn3C)CC2)C[C@@H](O)C1(C)C 257287484 PQEPIWYYTGQVTQ-MRXNPFEDSA-N 334.464 1.394 0 40 EDAB 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SJOVVYUVUVBYQG-UHFFFAOYSA-N 333.363 1.900 0 40 EDAB CN(CC(=O)N1CCCC1)c1cc(C(F)(F)F)nc2ncnn12 51476559 OHTFMMAHQAQART-UHFFFAOYSA-N 328.298 1.202 0 40 EDAB Cc1ccc2nc(CNC(=O)NC[C@H](C)Cn3cccn3)cn2c1 52559370 JNOVEIIRZCSWHU-AWEZNQCLSA-N 326.404 1.975 0 40 EDAB C[C@H]1CCCCN1c1cc(C(=O)NCCN2CCN(C)CC2)ccn1 69417203 XNKZTQYPWFTWLV-INIZCTEOSA-N 345.491 1.438 0 40 EDAB COC(=O)CN(CCN1CCOCC1)C(=O)C[C@H](C)c1ccccc1 71893447 MPGAFORINOELSA-INIZCTEOSA-N 348.443 1.514 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)O)c1 555127893 WNGSENLXNFVEEE-ZETCQYMHSA-N 329.300 1.148 0 40 EDAB CCS(=O)(=O)NCCNCc1cc(F)ccc1Br 89274503 BXITWFZQLBNHKU-UHFFFAOYSA-N 339.230 1.617 0 40 EDAB CCCCS(=O)(=O)NC(=O)CN1CCC[C@H](C(F)(F)F)C1=O 1615058674 UMOONQXLAYEAPG-VIFPVBQESA-N 344.355 1.033 0 40 EDAB CCn1cc(CN2CCO[C@](CO)(Cc3ccc(F)cc3)C2)cn1 1615190534 GFNFUJRRXQSRNB-GOSISDBHSA-N 333.407 1.848 0 40 EDAB CN(C)S(=O)(=O)N1CCN(c2cccc(Br)c2)CC1 225454182 PNRRZMFGAWNHOK-UHFFFAOYSA-N 348.266 1.378 0 40 EDAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cccc(C)c3)C2=O)C1 5510360 UCIQSIOPSQOSMU-ZBFHGGJFSA-N 344.411 1.902 0 40 EDAB C[C@H]1CN(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)C[C@@H](C)O1 13120631 CISXOWNNDCDLKR-PHIMTYICSA-N 335.791 1.686 0 40 EDAB CCN(c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccccc1 13584852 ZPPBBZUZKUGYSE-UHFFFAOYSA-N 334.397 1.766 0 40 EDAB COc1cccc(OCC(=O)N2CCN(c3nccn3C)CC2)c1 13693529 AWTVBNNLRRWQJP-UHFFFAOYSA-N 330.388 1.156 0 40 EDAB O[C@H]1C[C@H](CNC2CCC3(CC2)OCCO3)N(Cc2ccccc2)C1 161734250 DQBQLMYMPUFTRU-MOPGFXCFSA-N 346.471 1.897 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)C34CC5CC(CC(C5)C3)C4)nnc21 154500093 FCXXALPJRQAUGO-UHFFFAOYSA-N 327.388 1.311 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](CN2CCCC2)C1 12239367 NYTGKXXXQBGOSC-AWEZNQCLSA-N 326.466 1.225 0 40 EDAB Cc1cc(CCC(=O)N2CCC(N3C(=O)CNC3=O)CC2)ccc1F 253397613 FUYYWNDWQFAJOJ-UHFFFAOYSA-N 347.390 1.610 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)[C@H]1C[C@H]1c1ccccc1 583621975 NIPVIZPJTKGFGA-PMPSAXMXSA-N 338.411 1.659 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2cn(C)cn2)C3)nc1 1888864234 XJKAVFBRCDTQBL-KBXCAEBGSA-N 341.415 1.840 0 40 EDAB c1cnc(N2CC[C@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888882099 MFLCUNKBRIGQBI-LBPRGKRZSA-N 337.387 1.697 0 40 EDAB Cc1nc(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nc(O)c1F 1888885506 QJSFQVLAGOPJNC-PHIMTYICSA-N 338.383 1.933 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCO[C@@H](c2ccncc2)C1 1848352160 VCBVAAQLVTZGDT-GFCCVEGCSA-N 340.305 1.897 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H](C)N2CCOCC2)cc1C 30338046 PXHNUDOPEMZRNM-ZDUSSCGKSA-N 328.434 1.003 0 40 EDAB Cc1cc(C(=O)N=c2sc3cc4c(cc3n2C)OCCO4)n(C)n1 245171759 XTQISKVSKRJTFH-UHFFFAOYSA-N 344.396 1.794 0 40 EDAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(c1ncc(C(=O)O)cn1)C2 1603379456 ROPWBFYISNIZTI-RYUDHWBXSA-N 334.376 1.763 0 40 EDAB CC1CC(C(=O)N2CC[C@H]3O[C@H](COCC(=O)N(C)C)CC[C@H]32)C1 1565545447 FGTQYUBTQGAUSL-UIEKQHFFSA-N 338.448 1.286 0 40 EDAB O=C1CCC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CN1CC1CC1 1565550446 AWDJBVHGDJFFDB-QLPKVWCKSA-N 332.444 1.520 0 40 EDAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)CC1(O)CCC1)CC2 1565555935 SNAKLRYBNQIGHU-UHFFFAOYSA-N 337.445 1.077 0 40 EDAB CCOc1ccc(CC(=O)OCn2nnc3ccccc3c2=O)cc1 428872 CWAUSOMWVUTBLV-UHFFFAOYSA-N 339.351 1.934 0 40 EDAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1 4113696 QHCYUMZXQYJFDF-OAHLLOKOSA-N 334.372 1.903 0 40 EDAB CCc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3CCCO3)n2)cc1 5397720 QQZPYZVLTQYQRQ-MRXNPFEDSA-N 341.411 1.768 0 40 EDAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)C1CC1 9822054 OVMXJQADOHZREA-UHFFFAOYSA-N 337.383 1.168 0 40 EDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2ccsc2)C1 2055772010 QLUNSSKVMGHWQJ-QGZVFWFLSA-N 346.456 1.593 0 40 EDAB Cc1cc(OC2CCN(C(=O)Cc3cccnc3)CC2)cc(=O)n1C 575610730 ORDXFVFIKMOBEU-UHFFFAOYSA-N 341.411 1.701 0 40 EDAB CS(=O)(=O)N1C[C@@H]2CN(c3ccc(Br)cn3)C[C@@H]2C1 2298206431 JDSDIVVMXDSKBX-AOOOYVTPSA-N 346.250 1.172 0 40 EDAB CO[C@@H]1CCN(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1254176137 QGJNLGPUIKLKHP-MRXNPFEDSA-N 338.473 1.869 0 40 EDAB O=C(NCc1ccccc1)C(=O)NC[C@]1(O)CCOc2ccccc21 75158177 ICJOQHKMTVTXBA-LJQANCHMSA-N 340.379 1.089 0 40 EDAB O=S(=O)(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccccc1F 85559351 DAJRMKKRVKXDMH-AWEZNQCLSA-N 337.372 1.773 0 40 EDAB COC(=O)[C@H](C)NC(=O)c1cc(=O)c(OCc2ccccc2)co1 40312555 BQNINRZGEDAZGN-NSHDSACASA-N 331.324 1.510 0 40 EDAB biogenic O=C1CN(Cc2ccco2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 56998189 JEZRKQQYUXLFQO-CVEARBPZSA-N 346.408 1.294 0 40 EDAB CCCN(C(=O)c1cc(=O)[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 10446962 SMLWRBBXXXBPNR-GFCCVEGCSA-N 348.424 1.567 0 40 EDAB O=C(CCCOc1ccccc1Cl)N[C@H]1CCS(=O)(=O)C1 50294857 XLXDZKKEHKNNPE-NSHDSACASA-N 331.821 1.802 0 40 EDAB O=C(O)C1CCN(C(=O)CCC(=O)N2CCc3ccccc32)CC1 20263045 FWJFFDLRQNAGIE-UHFFFAOYSA-N 330.384 1.679 0 40 EDAB COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)CNC(=O)C1CC1 50633122 QAODSCRYUBHUSH-INIZCTEOSA-N 346.427 1.729 0 40 EDAB Cc1nc(CCNC(=O)CN2C(=O)COc3ccccc32)cs1 40489814 BSRWVKFOMROUNM-UHFFFAOYSA-N 331.397 1.536 0 40 EDAB Cc1ccc(-n2nc(C)c(C(=O)N[C@H]3CCCCNC3=O)n2)c(C)c1 40521506 FDFVSHQJXUSYNS-AWEZNQCLSA-N 341.415 1.591 0 40 EDAB CCN1C[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1=O 40534557 UBLBIBKBTRVQOK-VIFPVBQESA-N 331.294 1.830 0 40 EDAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCN(c2ncccn2)CC1 20745627 JLXAXHQOCKPLCR-MRXNPFEDSA-N 337.383 1.906 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NCCN3CCCCCC3=O)cc12 32309612 NHHARNRFXXGJQZ-UHFFFAOYSA-N 329.404 1.409 0 40 EDAB CN1CCc2c(n(C[C@H](O)CN3CCCC3)c3ccccc23)C1=O 202097 NFZZSFGXDYIPHZ-CQSZACIVSA-N 327.428 1.726 0 40 EDAB biogenic CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 415936 JDGUAZOWRWEKIF-UHFFFAOYSA-N 346.474 1.502 0 40 EDAB CCn1ncc(C(=O)N2CCN(CC(C)(C)O)CC2)c1C(F)(F)F 69807647 WFKQMKGJLNIQLN-UHFFFAOYSA-N 348.369 1.451 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)NCC(=O)N2CCCCC2)cc1 69894052 WJRDIJMIJILXSL-JXMROGBWSA-N 330.384 1.615 0 40 EDAB O=C(CN1C(=O)C(=O)N(CC(F)(F)F)C1=O)Nc1cccc(F)c1 32777543 NHHNNJRMNBMSHV-UHFFFAOYSA-N 347.224 1.117 0 40 EDAB NC(=O)Cn1c(SCc2noc(-c3ccco3)n2)nnc1C1CC1 32830999 JJKLNUUKDBTOKV-UHFFFAOYSA-N 346.372 1.576 0 40 EDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](C)(O4)[C@@H]3C2=O)c1 100179266 LUPTVSCTZKBZQL-NUXNZHGMSA-N 327.336 1.696 0 40 EDAB CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 573005 JVYIQXPWIPRFAI-UHFFFAOYSA-N 336.388 1.763 0 40 EDAB O=C(Cn1ccccc1=O)NCCNc1ncc(Cl)cc1Cl 47163281 PKCMJSCNUJDDAD-UHFFFAOYSA-N 341.198 1.778 0 40 EDAB NC(=O)NCc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1 22368997 WEVBSICREJGFMP-UHFFFAOYSA-N 337.383 1.704 0 40 EDAB COc1ccc(OC)c(/C=C/C(=O)N(CC(N)=O)C2CCCC2)c1 47236146 UZBFTUJFCXVXPG-JXMROGBWSA-N 332.400 1.974 0 40 EDAB C[C@H](CNC(=O)N[C@H]1CC(C)(C)OC1(C)C)CN1CCN(C)CC1 97048264 HVCWFBLVAOKYEI-CABCVRRESA-N 340.512 1.515 0 40 EDAB O=C([C@H]1CCCN(c2ccccn2)C1)N1CCC[C@H](n2cncn2)C1 72234927 IIECYAXQXAMHDD-HOTGVXAUSA-N 340.431 1.753 0 40 EDAB C[C@@H]1CN(C(=O)c2c[nH]c3ccccc3c2=O)C[C@H]1N1CCOCC1 76056750 UTFFENDYRCNLCV-CXAGYDPISA-N 341.411 1.321 0 40 EDAB C[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1nnc2ccccn12 22981494 HSFXDRKPMSMGSD-CYBMUJFWSA-N 347.382 1.860 0 40 EDAB O=C(NCCCN1C(=O)CNC1=O)N[C@H]1CCCCc2ccccc21 72273322 BVIYPAYWCULOBR-HNNXBMFYSA-N 344.415 1.695 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc2c([nH]c1=O)CCCC2=O 24728599 WSGKASZDPFOLIU-ZDUSSCGKSA-N 334.372 1.211 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C[C@@H](C)O1 24479923 KCMCQAURDXFTEL-UPJWGTAASA-N 346.383 1.404 0 40 EDAB O=C(NCCOc1ccccc1)C1=NN(c2ccccc2)C(=O)CN1 24625177 GCHVPHQFRCRHJJ-UHFFFAOYSA-N 338.367 1.132 0 40 EDAB CN1C[C@@H](C(=O)NCc2cccc(N3CCCCC3=O)c2)CC1=O 55662591 KQRLDDJXVYPRAL-AWEZNQCLSA-N 329.400 1.298 0 40 EDAB Cc1ccc([C@@H]2[C@H](C(=O)N3C[C@@H](C)O[C@H](C)C3)OCC(=O)N2C)cc1 108418506 VQEGXBROURYMGR-DTTOXWODSA-N 346.427 1.529 0 40 EDAB COc1c([C@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)c(C)nn1C 72234362 SNCUSPYTAXLBIV-CYBMUJFWSA-N 330.388 1.413 0 40 EDAB CC(C)c1noc(CN(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 106870853 UNJJQCAIEWMVCM-STQMWFEESA-N 343.449 1.361 0 40 EDAB Cn1cc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)cn1 56001740 MWFTYSHGQXDXNY-UHFFFAOYSA-N 335.307 1.797 0 40 EDAB O=C(NCCn1ccnc1)N1CCCN(C(=O)c2ccsc2)CC1 56797654 FKCSGTWLFHDCSI-UHFFFAOYSA-N 347.444 1.502 0 40 EDAB CCOc1ccc(CN2CCN(c3nccn4cnnc34)CC2)cc1 72289791 PUXRRVDROMDSHY-UHFFFAOYSA-N 338.415 1.845 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 110660772 RZPKBCYJGVXLAU-LUKYLMHMSA-N 331.464 1.787 0 40 EDAB C[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)n1cccn1 44669252 FCHIUDUHRRPLLP-YOEHRIQHSA-N 346.406 1.773 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)c12 48274800 XCSWUYPKBIZPNI-MRXNPFEDSA-N 349.412 1.716 0 40 EDAB COc1ccc(CNC2=NS(=O)(=O)c3ccccc32)cc1OC 10037363 OYVDQXSGEGWIJZ-UHFFFAOYSA-N 332.381 1.943 0 40 EDAB O=C(CCCn1ccnc1)Nc1ccc(CN2C(=O)CCC2=O)cc1 58159306 ALDISLHIGNMXPC-UHFFFAOYSA-N 340.383 1.951 0 40 EDAB COC(=O)c1ccc(NC(=O)CN2C(=O)c3cccnc3C2=O)cc1 20722265 VYFGPMRGNQKZKA-UHFFFAOYSA-N 339.307 1.103 0 40 EDAB COC(=O)COc1ccc(NC(=O)C2=C(C)C(C)(C)OC2=O)cc1 58228874 BFFUBYRKGFJPPP-UHFFFAOYSA-N 333.340 1.829 0 40 EDAB Cc1c(CNCCNc2ncccn2)c(=O)n(-c2ccccc2)n1C 97160044 UPZVDQQERUHLMJ-UHFFFAOYSA-N 338.415 1.476 0 40 EDAB CCN1C[C@H](C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)CC1=O 44913356 KSPZHHDFYMZZQX-UONOGXRCSA-N 341.415 1.304 0 40 EDAB CN(C(=O)NCCCn1nc2n(c1=O)CCCC2)C1CCCCC1 44972198 CCRMINJLUXJREF-UHFFFAOYSA-N 335.452 1.745 0 40 EDAB COc1ccc([C@@H](NC(=O)NC[C@H]2CCCO2)c2nccn2C)cc1 44945735 HPDMAVDTXBZAHX-HZPDHXFCSA-N 344.415 1.996 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCC(c3ccnn3CCO)CC2)on1 58342427 GBWJASWMWCDEMP-ZDUSSCGKSA-N 347.419 1.378 0 40 EDAB CC(=O)c1ccccc1NC(=O)CSc1n[nH]c(=O)n1C1CC1 3396982 NIYMRXYHRQALBY-UHFFFAOYSA-N 332.385 1.840 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN(C)c1ncnc2[nH]cnc12 58404792 UKSNDPPKPJXOCC-OLZOCXBDSA-N 346.435 1.501 0 40 EDAB CCO[C@H](C)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1 36397363 APUMROCANFPZTL-CYBMUJFWSA-N 342.461 1.758 0 40 EDAB O=S(=O)(c1ccc(F)cc1F)N1CCN(c2nccs2)CC1 12755990 CIYHTZVXIZNRHS-UHFFFAOYSA-N 345.396 1.932 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NC[C@@H]1Cc2ccccc2O1 48354340 OAGODTSMYUTEST-AWEZNQCLSA-N 335.363 1.516 0 40 EDAB COCC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 45900588 ROFFATWTKNZDJE-UHFFFAOYSA-N 332.322 1.876 0 40 EDAB COc1ccc(CCNC(=O)[C@@H](C)OC(=O)c2cnn(C)c2)cc1 12852847 YPIBGNDQSKTKPP-GFCCVEGCSA-N 331.372 1.333 0 40 EDAB O=C(c1ncccc1C(F)(F)F)N1CCN(c2cnccn2)CC1 92276512 JUMHWBTUUSSXDH-UHFFFAOYSA-N 337.305 1.853 0 40 EDAB CCNC(=O)[C@H]1CCCN(c2ccc(-n3nc(C)cc3C)nn2)C1 96413690 FQKRUOIVTKBLQH-AWEZNQCLSA-N 328.420 1.632 0 40 EDAB Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c2c(C)noc2n1 12979681 ISOQVORRZLHGFV-UHFFFAOYSA-N 338.371 1.592 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)Cc2cccc(OC)c2)c2ccccc2O1 12938993 KHMKNMVELAQUHM-QGZVFWFLSA-N 340.379 1.778 0 40 EDAB CCc1nc(CN2CCN(C(=O)CSC(F)(F)F)CC2)no1 71893388 ROCCFNUGJUJHFU-UHFFFAOYSA-N 338.355 1.529 0 40 EDAB CCN(CC)C(=O)CN(C)C(=O)[C@H]1CCCCN1Cc1ccncc1 71883634 GNDAMUZKNOJXFZ-QGZVFWFLSA-N 346.475 1.763 0 40 EDAB C[C@H](Sc1nnc(NC(C)(C)C)s1)C(=O)N1CCNC1=O 8744763 LLWDCZAQAAIEGT-ZETCQYMHSA-N 329.451 1.781 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CC2)cs1 71830640 DHXWXWMDOZETIN-HZPDHXFCSA-N 345.472 1.633 0 40 EDAB COc1ccc(F)cc1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 65414293 FYUBHDLSVSPULT-LLVKDONJSA-N 344.408 1.236 0 40 EDAB CN(CC(N)=O)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 65412952 CVLWUABGMLSQDY-UHFFFAOYSA-N 344.390 1.838 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 71826888 ZUYNUVUMJCTSJU-AWEZNQCLSA-N 346.406 1.179 0 40 EDAB O=C(N[C@H]1CCCCNC1=O)c1ccc(-c2ccccc2)[nH]c1=O 65538725 XTENJICCJLCBGN-HNNXBMFYSA-N 325.368 1.440 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)C(=O)NC1CCCC1 65531272 IALKVXACZWUQBO-AWEZNQCLSA-N 349.479 1.102 0 40 EDAB Cn1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cn1 65610814 RLBZPCJKUWHOEF-LLVKDONJSA-N 340.430 1.273 0 40 EDAB CN1CCN(C2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)CC1 19358617 JLAYDOAARQTGFI-UHFFFAOYSA-N 333.819 1.296 0 40 EDAB CCCn1c(SCC(=O)NCCOC)nc2ccccc2c1=O 6560634 YYUMEFURYPKBNO-UHFFFAOYSA-N 335.429 1.661 0 40 EDAB O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCC1 6639815 GWHWIGUMDFYLFN-UHFFFAOYSA-N 339.413 1.551 0 40 EDAB CCOC(=O)c1cc(NC(=O)C2=COCCO2)cc(C(=O)OCC)c1 14700057 CYGGXKYHFXIDMN-UHFFFAOYSA-N 349.339 1.867 0 40 EDAB Cc1nn2cnnc2c(C)c1CCC(=O)N=c1[nH]c2ccccc2[nH]1 71285077 UHJIGGHSSQMBPI-UHFFFAOYSA-N 335.371 1.611 0 40 EDAB Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H]2CCCO2)n1 9157898 DTPNGURAPXTIEA-LBPRGKRZSA-N 329.360 1.728 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc[nH]1 9583751 PAXMLMSPUXLEHI-KRWDZBQOSA-N 325.324 1.427 0 40 EDAB C[C@@H]1CN(C(=O)NCC(=O)N2CCCC2)C[C@H](c2ccccc2)O1 67590992 OEZQXOUIFCCQFN-GDBMZVCRSA-N 331.416 1.780 0 40 EDAB O=c1oc(-c2cccs2)nn1Cc1cc(=O)n2ccsc2n1 7251470 IKQSMVFJPHMJHM-UHFFFAOYSA-N 332.366 1.683 0 40 EDAB CC[C@H](Sc1nnc(O)[nH]c1=O)C(=O)NCc1ccc(C)cc1 71405392 NTZBFWHYONRDBG-NSHDSACASA-N 334.401 1.366 0 40 EDAB Cc1ccc(C)c(-n2ccnc2S(=O)(=O)Cc2nnc(C)n2C)c1 90988976 OIBCSSBDOVWYJY-UHFFFAOYSA-N 345.428 1.900 0 40 EDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1Cl 20719596 IJEAAXLVYZETOZ-OAHLLOKOSA-N 348.790 1.893 0 40 EDAB CN1C(=O)[C@@]2(NC(=O)c3oc4ccccc4c(=O)c32)c2ccccc21 16742485 YEZTXDLSBKEFCM-LJQANCHMSA-N 332.315 1.756 0 40 EDAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 70038213 GOLHLMMCCQLKRX-ZIAGYGMSSA-N 339.461 1.605 0 40 EDAB CC(C)c1nc2n(n1)C[C@@H](NC[C@H](O)COCc1ccccc1)CC2 70037371 PGYFKFAOYBVTFO-IRXDYDNUSA-N 344.459 1.884 0 40 EDAB Cc1ccc(CC(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 69458013 KUUGASBHGIJMBE-UHFFFAOYSA-N 328.416 1.705 0 40 EDAB NS(=O)(=O)c1ccc(OCCC(=O)NCCc2ccccc2)cc1 69440548 GBSNUTOUUIIYQC-UHFFFAOYSA-N 348.424 1.462 0 40 EDAB CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1cccnc1 69568309 XKZKXFGZBQRBBN-UHFFFAOYSA-N 349.188 1.950 0 40 EDAB CCOCCO[C@H](C)C(=O)NCCCNC(=O)c1cccc(O)c1 69596216 LWASJMCVIKVIRR-CYBMUJFWSA-N 338.404 1.070 0 40 EDAB Cc1cc(C)n2cc(CN3CCC[C@@H](Cn4cncn4)C3)nc2n1 69626911 PAIOXNNZEPNZGB-OAHLLOKOSA-N 325.420 1.850 0 40 EDAB Cc1cccc2[nH]cc(CC(=O)N3CCN(CC(C)(C)O)CC3)c12 69741583 YTTTYNGCQLRUKQ-UHFFFAOYSA-N 329.444 1.934 0 40 EDAB CCn1ccnc1CN1CCN(c2nc(C)cc(N(C)C)n2)C[C@@H]1C 69740412 UDBJKXXELGIISO-HNNXBMFYSA-N 343.479 1.778 0 40 EDAB Cc1cc2ncn(C[C@@H](O)CN3CCN(C[C@H](C)O)CC3)c2cc1C 69779227 UDLRKCJKIVZXIJ-IRXDYDNUSA-N 346.475 1.012 0 40 EDAB CC(=O)N(C)C1CCN(C(=O)NCCN(C)c2ccccc2)CC1 69703920 FHXLZZUULINSBR-UHFFFAOYSA-N 332.448 1.775 0 40 EDAB O=C(c1ccc[nH]1)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 69704571 WFHOPYNMFYNHTA-CYBMUJFWSA-N 333.413 1.598 0 40 EDAB C[C@H](Cn1cccn1)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 71863698 BHJFTMWRSYQVQE-SJLPKXTDSA-N 342.443 1.397 0 40 EDAB CN1CCN(c2ncc3c(n2)CC[C@@H](NCc2nccs2)C3)CC1 306130984 JUATWALSFWFUHT-CQSZACIVSA-N 344.488 1.332 0 40 EDAB CN1C[C@@]2(CCN(Cc3nccn3Cc3ccccc3)C2)OC1=O 72142129 COTSWWHASFEQNT-GOSISDBHSA-N 326.400 1.958 0 40 EDAB C[C@H](CNS(=O)(=O)c1ccccc1Cl)CN1CCN(C)CC1 77616097 ILOFRNPFEQXJQE-CYBMUJFWSA-N 345.896 1.502 0 40 EDAB C[C@H](CS(C)(=O)=O)NC(=O)c1cnc(Cc2ccccc2)s1 87293969 FYPFFCXGZXNGQY-LLVKDONJSA-N 338.454 1.897 0 40 EDAB NC(=O)COc1cccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)c1 95394320 XIHHWQCCOOXRAB-UHFFFAOYSA-N 341.367 1.370 0 40 EDAB COc1cc(C)cc2c1OCC[C@H]2NC(=O)C(C)(C)S(C)(=O)=O 95396350 JDENCBIATOJREJ-GFCCVEGCSA-N 341.429 1.767 0 40 EDAB CNC(=O)c1cccc(CN2CC[C@H](N(C)Cc3noc(C)n3)C2)c1 78891220 RVMHEUHFDGMVPR-INIZCTEOSA-N 343.431 1.444 0 40 EDAB CN(c1nc(N)c2ccccc2n1)[C@@H]1CCN(CC(F)(F)F)C1=O 95449388 GUVDCXDQDFRUFX-LLVKDONJSA-N 339.321 1.811 0 40 EDAB O=C(NCC(=O)N1CCC[C@H]2COCC[C@@H]21)c1cc(F)cc(F)c1 95440906 KLKHWOQRNOQXAS-NHYWBVRUSA-N 338.354 1.722 0 40 EDAB COC(=O)c1ccccc1CS(=O)(=O)N[C@@H](C)[C@@H](CO)SC 95443835 FYWNWWLHRQBKFS-GXFFZTMASA-N 347.458 1.005 0 40 EDAB NC(=O)c1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccco2)nc1 95412395 MNMURSVNSVJTMU-GFCCVEGCSA-N 327.340 1.651 0 40 EDAB CS(=O)(=O)Cc1cc(F)ccc1NCC(=O)NCC(F)(F)F 95414077 DMOZDLDQHRANCW-UHFFFAOYSA-N 342.314 1.461 0 40 EDAB COc1cc(CCC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cc(OC)c1 79015885 FVQXMAXPWGSWMT-JKSUJKDBSA-N 334.416 1.797 0 40 EDAB Cc1cccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1C 74753099 HFJBMBCYPHYVLJ-UHFFFAOYSA-N 339.461 1.002 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 89938524 WCBKWCYJYYWTCZ-HOCLYGCPSA-N 344.459 1.164 0 40 EDAB O=c1[nH]c2c(c(=O)n1CCCO)C1(CCCC1)Cc1ccccc1-2 20735577 WRACLWUVEJAWOD-UHFFFAOYSA-N 326.396 1.954 0 40 EDAB COc1cccc(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)c1 20236984 FKBKPUZXIXILLY-UHFFFAOYSA-N 340.445 1.720 0 40 EDAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1 408547972 BDONUKUIZJATNZ-LUHPIMIVSA-N 332.356 1.930 0 40 EDAB CCC[C@@H](CC)C(=O)NCC1(O)CN(C(=O)c2[nH]c(C)nc2C)C1 1045346592 FBMQNLNAZNXSBV-CYBMUJFWSA-N 336.436 1.156 0 40 EDAB CCc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc1 408648907 CVMADFDWWDWFQQ-VJOHVRBBSA-N 343.379 1.928 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 521395328 FQHOJSVCFNOFLQ-DRZSPHRISA-N 328.420 1.881 0 40 EDAB COc1ccc(CCN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1OC 36092739 IYAZKECBAROYGG-UPUJQMMVSA-N 329.352 1.185 0 40 EDAB CN(C)C(=O)[C@]1(C)CN(Cc2ccccc2N2CCCC2)CCO1 72379852 UGVJCZQKWTZAFZ-IBGZPJMESA-N 331.460 1.966 0 40 EDAB CC(C)c1cccc2c1CCN(Cc1cn(C)c(=O)n(C)c1=O)C2 188129277 MFEPKSSQDUBGQR-UHFFFAOYSA-N 327.428 1.766 0 40 EDAB COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)c2cscn2)nn1 78411365 SJTJZOICTASUHK-NEPJUHHUSA-N 336.373 1.862 0 40 EDAB CCOc1ccc(C(=O)N2CC(N3C(=O)CCC3=O)C2)cc1OCC 238954684 XRVIWBRVYMCSPB-UHFFFAOYSA-N 346.383 1.457 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCC3 36370048 XERVZMDAPXYAKM-QGZVFWFLSA-N 349.390 1.806 0 40 EDAB biogenic Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN3CC(N)=O)n2)n1 72383566 KRNUFGZPTAJNSA-ZDUSSCGKSA-N 326.404 1.854 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NC[C@]2(OCCO)CCSC2)c1 1565519722 MYPJKNSFXCEXEG-OAHLLOKOSA-N 345.486 1.466 0 40 EDAB Cc1cc(=O)n2c(CCN3C(=O)c4ccccc4C3=O)csc2n1 61968070 AWHQCSMBBVMMJF-UHFFFAOYSA-N 339.376 1.903 0 40 EDAB CCc1nnc2ccc(N3CCC(OC4CCOCC4)CC3)nn12 77227038 DBJPUPHQHBRXIO-UHFFFAOYSA-N 331.420 1.851 0 40 EDAB CCn1nc(C)cc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 226749030 OFTUCQNZLZNIPX-MRXNPFEDSA-N 340.427 1.876 0 40 EDAB COCCCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225290936 AGNYUFJVBWPUEP-LBPRGKRZSA-N 344.433 1.002 0 40 EDAB C[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)[C@H]1C[C@H]2CC[C@H]1C2 225427174 AZWICPUYWQDOJM-PWNZVWSESA-N 349.456 1.425 0 40 EDAB O=C(NCc1nccc(N2CCOCC2)n1)Nc1cc(F)cc(F)c1 224172065 OZQCICYGMHYRFH-UHFFFAOYSA-N 349.341 1.913 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCc3ccccc32)C1=O 44890840 RDKUGFNSRYZBSJ-KSSFIOAISA-N 327.384 1.511 0 40 EDAB COc1ccccc1NC(=O)c1coc(NC(=O)c2cnccn2)n1 75157973 YQLVJYSKHGEUEK-UHFFFAOYSA-N 339.311 1.978 0 40 EDAB CC(=O)Nc1ncc(S(=O)(=O)N(C)Cc2cccnc2)s1 223810139 KQIZTGWHDBRUQG-UHFFFAOYSA-N 326.403 1.317 0 40 EDAB CC(C)NC(=O)[C@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 223185321 CKQDFPUDJAGVFD-ZDUSSCGKSA-N 329.404 1.195 0 40 EDAB O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCc2[nH]cnc2C1 225515871 SGGJGWHDVWWMBO-KGLIPLIRSA-N 338.411 1.684 0 40 EDAB CCN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 227161961 JBAGKLZQLBSQFD-UHFFFAOYSA-N 338.429 1.853 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(C)cc2)s1 225254964 NHMVPNDWKRQMQM-UHFFFAOYSA-N 340.430 1.674 0 40 EDAB CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)c2cccc3[nH]ccc23)C1 576486521 BJSJSVRCXGXTFD-ABAIWWIYSA-N 325.372 1.899 0 40 EDAB C[C@H](C(=O)Nc1ccc2ccn(CCN(C)C)c2c1)S(C)(=O)=O 96418429 FNAQFBQFCZHYKA-GFCCVEGCSA-N 337.445 1.575 0 40 EDAB Cn1nncc1CNc1ccnn1Cc1cnn(-c2ccccc2)c1 95442663 FQNRTFJQGAUGID-UHFFFAOYSA-N 334.387 1.858 0 40 EDAB O=C(c1cocn1)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1 96110454 OIUINQQBTDVZQK-PBHICJAKSA-N 347.346 1.909 0 40 EDAB Cc1cc(CN2C[C@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)oc1C 96185893 FQKLFJJTMSNSLE-KKUMJFAQSA-N 328.434 1.177 0 40 EDAB CC[C@H](C(=O)Nc1ccn(CCc2ccccn2)n1)N1CCCC1=O 96436266 XSIDLPSNWRYDDQ-OAHLLOKOSA-N 341.415 1.860 0 40 EDAB CCS(=O)(=O)N1CCCn2cnc(COc3cccnc3)c2C1 96259983 QSWHTKCFRKQPMP-UHFFFAOYSA-N 336.417 1.413 0 40 EDAB CN1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccoc3)O2)CC1 96057502 SDIOCCWGLSQNSK-BRWVUGGUSA-N 333.432 1.176 0 40 EDAB CCOCC(=O)N1CC[C@@]2(CN(C)C[C@@H]2COCc2ccccn2)C1 96220599 FBCUYMPKHLORKL-VQIMIIECSA-N 347.459 1.415 0 40 EDAB CCn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)c1cnccn1)C2 96068322 CNNHKWILPNAQOH-OAHLLOKOSA-N 341.415 1.859 0 40 EDAB O=C(NCc1ccco1)[C@H]1CN(C2CCOCC2)C[C@H]2OCC[C@H]21 96041182 AUIAHAOEHJVISE-YESZJQIVSA-N 334.416 1.412 0 40 EDAB O=C([C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1)N1CCSCC1 95477112 BDXJLWSPDKEUMS-JTQLQIEISA-N 348.403 1.630 0 40 EDAB CCN(C)c1ccnc([C@@H]2COCCN2C(=O)COC2CCCC2)n1 96216729 RLKNIBBWGPBIJB-HNNXBMFYSA-N 348.447 1.792 0 40 EDAB CC(C)NC(=O)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccncc1 96201030 ISNSYKJDEKYLNO-SJORKVTESA-N 332.448 1.517 0 40 EDAB CCS(=O)(=O)N1CCO[C@@]2(CCCN(c3ccccn3)C2)C1 96226387 URRZMNQKCPTKAA-OAHLLOKOSA-N 325.434 1.103 0 40 EDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccccn2)C1)N1CCCCO1 96057682 SUULPWOYCCVKPM-NUEKZKHPSA-N 345.399 1.255 0 40 EDAB C[C@@H](NCCS(=O)(=O)N1CCSCC1)c1ccc(F)cc1 96477304 MKGXPEREMMHZRT-GFCCVEGCSA-N 332.466 1.855 0 40 EDAB COc1ncnc2c1CN(C[C@@H](O)COc1cc(C)cc(C)c1)CC2 97200460 LKEWRQREWPHLNO-OAHLLOKOSA-N 343.427 1.900 0 40 EDAB O=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(c3ncc(F)cn3)C[C@H]2O1 96066216 XGQCCGYJDJDVQV-TUKIKUTGSA-N 346.362 1.509 0 40 EDAB O=C([C@H]1COC[C@H]2CN(Cc3ccsc3)C[C@H]21)N1CCCCO1 97953541 ZHGIOPKMQVFNBT-OAGGEKHMSA-N 336.457 1.997 0 40 EDAB Nc1cc(CC[C@H]2CN(C(=O)CCc3cccnc3)CCO2)ccn1 257206811 BEYSCBFOYUXZOO-KRWDZBQOSA-N 340.427 1.852 0 40 EDAB O=C1CCC(C(=O)N2CC[C@H](c3noc(-c4cccs4)n3)C2)=NN1 253404186 QVKVDCSYWKKWIW-VIFPVBQESA-N 345.384 1.380 0 40 EDAB CCn1cc(C(=O)N2CCOC[C@@H]2c2cc(O)nc(C)n2)c(C)n1 257253234 JYBNUARGDUDFHW-CQSZACIVSA-N 331.376 1.229 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1S(=O)(=O)c1ccccc1 257329256 XJCGTFWGCMHSEH-OAHLLOKOSA-N 347.440 1.807 0 40 EDAB CN1CCN(c2ccc(F)cc2C(=O)N2CCn3nccc32)CC1 585081595 YFRCMYSTULHDKG-UHFFFAOYSA-N 329.379 1.434 0 40 EDAB CN(C)[S@](C)(=O)=NC(=O)c1ccc(NC(=O)c2ccn(C)c2)cc1 585127824 KMPQTACYQBWAPC-XMMPIXPASA-N 348.428 1.992 0 40 EDAB COCCn1ccc(NC(=O)C(=O)N2CCc3cc(Cl)ccc32)n1 585138261 ZKRPDOOWSIBGPH-UHFFFAOYSA-N 348.790 1.711 0 40 EDAB Cn1cncc1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 585113022 YNYVEOFEQIUXLR-QWHCGFSZSA-N 334.420 1.986 0 40 EDAB Cc1ccccc1C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 585129160 ZQXCLYNABNTUTN-OAHLLOKOSA-N 336.457 1.330 0 40 EDAB COC(=O)[C@H](CO)NC(=O)c1nccnc1SCc1ccccc1 585122376 YUVYUKUJWKGDFW-LBPRGKRZSA-N 347.396 1.033 0 40 EDAB Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)CN[C@H](C)CO)cnn1C 585116785 IJOPDTUOSDEBAY-TZMCWYRMSA-N 340.468 1.382 0 40 EDAB CCC1(CNS(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1 585115827 VCTPAGHZKRAWQL-UHFFFAOYSA-N 332.466 1.963 0 40 EDAB CCO[C@]1(CS(=O)(=O)N[C@H](C)Cc2c(C)noc2C)CCOC1 585115900 ZBPNBVWHABFDAT-IAQYHMDHSA-N 346.449 1.337 0 40 EDAB Cc1ccoc1C(=O)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 253476799 BKZGNPVVHCIEHV-CYBMUJFWSA-N 329.356 1.831 0 40 EDAB CNC(=O)c1cnn2c([C@H]3CCN(Cc4cncs4)C3)ccnc12 257202247 ALAOWWYSMNPIAV-NSHDSACASA-N 342.428 1.535 0 40 EDAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2cnccn2)ccn1 257268372 MLKIUVOTUDVJQI-MRXNPFEDSA-N 325.372 1.485 0 40 EDAB COc1c(C)cc(S(=O)(=O)NC[C@H](C(=O)O)C(C)C)cc1C 274940038 DZPUOHQTHSXBIC-ZDUSSCGKSA-N 329.418 1.947 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCCN(C(=O)c2nccn2C)C1 585275657 CYIWUNJFWZUCIL-SFHVURJKSA-N 329.400 1.775 0 40 EDAB Cc1csc(N2CCCN(C(=O)CCc3cnn(C)c3)CC2)n1 55760447 LLDTZIMCWKSDKA-UHFFFAOYSA-N 333.461 1.857 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)C(=O)Nc1cc(F)ccc1Cl 69581471 YDRBIBLHNMJUOV-UHFFFAOYSA-N 329.759 1.449 0 40 EDAB Cc1cc(C)c(CNC(=O)NCc2cn3ccsc3n2)c(=O)[nH]1 75111233 SBIUWPBBQATQBR-UHFFFAOYSA-N 331.401 1.700 0 40 EDAB CO[C@@H]1CCC[C@@H](NC(=O)COc2cccc3c2OC(C)(C)C3)[C@H]1O 1615076592 PXNHVHAPVCJDEM-CKEIUWERSA-N 349.427 1.824 0 40 EDAB Cc1nccn1-c1ccc(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)cc1 19288264 SUFPOKXVBSWMBR-GDIGMMSISA-N 326.444 1.820 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19293737 CEXUBEKSDKBBPH-CQSZACIVSA-N 340.402 1.820 0 40 EDAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc2c(c1)OCCO2 8477331 ZQBNGTKTJFBFQC-UKTHLTGXSA-N 342.351 1.862 0 40 EDAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)C(C)C)c2n1 8946331 MSSAKTNPMWXMEN-UHFFFAOYSA-N 348.476 1.921 0 40 EDAB CCc1ncc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 19523449 LWRUTUOKGBOKPX-UHFFFAOYSA-N 348.410 1.743 0 40 EDAB COCCN1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 23127567 CQXJQAJNAJYAKZ-UHFFFAOYSA-N 346.880 1.977 0 40 EDAB Cc1cc(N2C[C@@H](C(=O)Nc3nnn(C)c3C)CC2=O)ccc1F 582533211 VOTFVVCKLORKKL-NSHDSACASA-N 331.351 1.563 0 40 EDAB CN(C)C(=O)CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O 1888913297 FIUGTTMIDGPSCZ-UHFFFAOYSA-N 328.347 1.780 0 40 EDAB Cn1cnc2ncnc(N3CCN(c4ncnc5ccccc45)CC3)c21 1888922032 NWNJEMDKBWMXHX-UHFFFAOYSA-N 346.398 1.633 0 40 EDAB Cc1cncc(N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)n1 1889138942 AGNKCSZQNFAYMH-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB CC[C@H]1CN(C(=O)c2cn(-c3ccc4c(c3)OCCO4)nn2)CCO1 30848764 RSBMHPIQJGTFEP-ZDUSSCGKSA-N 344.371 1.290 0 40 EDAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CC(N2C(=O)COC2=O)C1 252536948 JWEGKQMVUCMFKB-UHFFFAOYSA-N 342.273 1.438 0 40 EDAB COc1cc(C(=O)N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)on1 1565555757 GXCRECULZJSGAE-DZGCQCFKSA-N 347.371 1.249 0 40 EDAB Cn1cc(-c2ncnc3c2CN(C(=O)C2CC(F)(F)C2)CC3)cn1 1565556479 UWSOFNZUEYGFRJ-UHFFFAOYSA-N 333.342 1.807 0 40 EDAB COc1ccc(-c2nn(CC(N)=O)c(=O)c3nc(C)sc23)cc1 8955341 BOMWRSCUCADUQS-UHFFFAOYSA-N 330.369 1.322 0 40 EDAB CCN1CC2(CCN(C(=O)c3cnn4ccccc34)CC2)CC1=O 2055796240 YIYNNRCGSCOOAP-UHFFFAOYSA-N 326.400 1.809 0 40 EDAB CCOCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)NC(C)C)C2 2055714931 ZYTCGNXDPWAENL-CYBMUJFWSA-N 336.436 1.127 0 40 EDAB COCCN1CCC(CNC(=O)C(=O)Nc2cccc(F)c2)CC1 23127349 UECWAFCSICDNBF-UHFFFAOYSA-N 337.395 1.239 0 40 EDAB Cc1cc(N(C)C2CCN(S(=O)(=O)N3CCCC3)CC2)ncn1 585559708 TZCUYEFMJSSUFX-UHFFFAOYSA-N 339.465 1.026 0 40 EDAB COc1cc(C)n(CCNC(=O)c2ccc3nsnc3c2)c(=O)c1 225614709 WIIADHDOKADBRT-UHFFFAOYSA-N 344.396 1.600 0 40 EDAB Cc1ccc(OCCNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 31357334 AFZCMHXXQDBIGP-HNNXBMFYSA-N 340.445 1.304 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1OC[C@H]1CCCO1 40476117 HXSCGBCZGLWTJG-CHWSQXEVSA-N 339.413 1.161 0 40 EDAB CCOCc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OC 40468088 UJYKMYISGFWHCP-CYBMUJFWSA-N 327.402 1.149 0 40 EDAB CC(C)Oc1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cn1 40541296 AOTMLOKQYUTFPW-UHFFFAOYSA-N 346.412 1.461 0 40 EDAB C[C@H]1C[C@H](C)CN(CCNC(=O)c2cccc(S(N)(=O)=O)c2)C1 40534341 SZRMOEWKOIWQSM-STQMWFEESA-N 339.461 1.042 0 40 EDAB COc1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)c(OC)c1 40553760 YTQCWCHDVXPHRM-ZDUSSCGKSA-N 342.399 1.893 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccnc1N(C)C 40525136 YSWJUFRFRUFYCG-MLGOLLRUSA-N 327.384 1.992 0 40 EDAB Cc1cc(NC(=O)[C@@H]2C(O)=CC(=O)N3CCc4ccccc4[C@@H]23)[nH]n1 100918026 MZGJYRBEXBLFBW-SJORKVTESA-N 338.367 1.854 0 40 EDAB O=C(CSc1nnnn1C1CC1)Nc1ccc(-n2cccn2)nc1 29852077 UDCAAAFDNFJRGP-UHFFFAOYSA-N 342.388 1.320 0 40 EDAB Cc1ccc(CNC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1 32754946 RLTORIIYDGTSMS-MSOLQXFVSA-N 347.459 1.532 0 40 EDAB O=C(C[C@H](NC[C@@H]1CCCO1)C(=O)O)Nc1cccc(Cl)c1 4280004 QWUVENMKKQCXCW-STQMWFEESA-N 326.780 1.890 0 40 EDAB CNC(=O)C1CCN(CCC(=O)Nc2ccc3c(c2)CCC3)CC1 32870935 PZONHNDHPUMWGX-UHFFFAOYSA-N 329.444 1.962 0 40 EDAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 7248592 SZZQKYHPFCYTJX-AWEZNQCLSA-N 345.486 1.891 0 40 EDAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)cc3)nn12 8394455 WUPLRFWWSMKXGZ-JTQLQIEISA-N 343.318 1.756 0 40 EDAB CCNc1nc(NCC)n2c(n1)nc(=S)n2CN1CCCCC1 8653748 PNNZCHICKIVOEV-UHFFFAOYSA-N 336.469 1.962 0 40 EDAB COc1ccccc1NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 58049158 YMJWJRNLNZYQMJ-LLVKDONJSA-N 327.406 1.241 0 40 EDAB CC(C)NC(=O)CNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1 12391348 NWQYRKQLMYVGLG-UHFFFAOYSA-N 327.344 1.472 0 40 EDAB CSCC[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)O 37406025 PUYUTGQOTMKJSA-SECBINFHSA-N 325.358 1.449 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)COc2ccccc2Cl)CC1 23643521 CQHOMNPZOKULPG-ZDUSSCGKSA-N 342.823 1.854 0 40 EDAB O=C(NC[C@H]1CCCO1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 42565214 OBVNMWOGDPSTOB-CQSZACIVSA-N 333.363 1.599 0 40 EDAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(N)(=O)=O 29651907 GISOLDPFJIWDDP-LLVKDONJSA-N 334.397 1.834 0 40 EDAB COc1ccnc(N2CCN(C(=O)CCc3ccccc3)CC2)n1 47693984 CJJRCOXHBKSHHS-UHFFFAOYSA-N 326.400 1.767 0 40 EDAB C[C@H](CN1CCCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 24803487 HTIAGHINHSUVTL-CYBMUJFWSA-N 328.416 1.456 0 40 EDAB O=C(c1ccnc(OCC(F)F)c1)N1CC[C@](O)(C(F)(F)F)C1 97022157 OWFXRIDVDYMANX-GFCCVEGCSA-N 340.248 1.865 0 40 EDAB Cn1cnn(CC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1=O 97048238 OWFNIKHYUWWNOM-ZYHUDNBSSA-N 340.305 1.273 0 40 EDAB Cc1nc(CN(C)[C@@H]2CCN(CC(=O)NCc3ccccc3)C2)no1 76047300 KSGWIBPENGOHJT-MRXNPFEDSA-N 343.431 1.201 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CCCO)CC2)c1C 58032404 UTOUWLIKXVPXII-UHFFFAOYSA-N 340.489 1.609 0 40 EDAB CC(C)(C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)O 3223818 SQDJLLIDJLQWJF-JTQLQIEISA-N 329.403 1.469 0 40 EDAB CCc1ccsc1C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 69893220 HTDRFXUMHLILPU-LBPRGKRZSA-N 331.459 1.586 0 40 EDAB C[C@@H]1CN(Cc2csc(NC(=O)Cc3ccon3)n2)C[C@@H](C)O1 76302573 ANTFSTIGMRZMPT-GHMZBOCLSA-N 336.417 1.922 0 40 EDAB Cc1cnn(CCC(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 76497085 YOVDZMHFZLXXPC-UONOGXRCSA-N 327.450 1.396 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1NC(C)=O 12698118 KVJPUVUHPNCLCR-PHIMTYICSA-N 342.417 1.452 0 40 EDAB CCOC(=O)CNC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 1907648 HBWJYJUHNFOQKH-NSHDSACASA-N 333.340 1.548 0 40 EDAB biogenic Cc1ccccc1CN(C)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 78518521 PMEGYXUGXTZBAF-KRWDZBQOSA-N 346.475 1.724 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@@H](O)c1cccc(Cl)c1 48229682 BFNROWOWNCXJMT-GXFFZTMASA-N 346.836 1.107 0 40 EDAB CSCc1nc2ccccc2n1CC(=O)NCCN1CCOCC1 58158881 KGETUWJKPUCWSC-UHFFFAOYSA-N 348.472 1.348 0 40 EDAB CCc1cnc(CN(C)[C@@H]2CCN(Cc3nnnn3C3CC3)C2)o1 78892064 PHFRICSFYGZTNU-CYBMUJFWSA-N 331.424 1.265 0 40 EDAB O=C1CCCN1CCCNS(=O)(=O)c1ccccc1OC(F)F 58265545 SKJAKTVTIFLBIV-UHFFFAOYSA-N 348.371 1.579 0 40 EDAB CCCCNC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 3345251 QAVFYAKBVMTOPD-UHFFFAOYSA-N 348.808 1.061 0 40 EDAB C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc2c(c1)OCCCO2 44952399 XDFQSQFPJCMRMD-GHMZBOCLSA-N 327.402 1.458 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)NC[C@@H]3CCCO3)cn2)C[C@@H](C)O1 44952131 SOTAXENQZPLALS-GUTXKFCHSA-N 334.420 1.996 0 40 EDAB CC[C@H](CNC(=O)[C@H](C)n1cncn1)N1CCc2ccccc2C1 44912157 PKIABLAVNFXLOJ-WMLDXEAASA-N 327.432 1.792 0 40 EDAB Cc1nccc(CNS(=O)(=O)N2CCC[C@@H]2c2ccc(C)o2)n1 78880058 MPAOTHDQAGRMPJ-CQSZACIVSA-N 336.417 1.858 0 40 EDAB COc1c(CNCCN2CCN(c3ccccc3)CC2)c(C)nn1C 58391829 LAFAKSOIJINFDC-UHFFFAOYSA-N 343.475 1.649 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2cn3ccsc3n2)c2ccccc2O1 58342338 QJHPCSYLUAVTSQ-AWEZNQCLSA-N 328.397 1.909 0 40 EDAB COC(=O)CCN(CC(F)(F)F)C(=O)c1cn2cccnc2n1 58420102 CABUULFVJVAWFP-UHFFFAOYSA-N 330.266 1.297 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 10925911 PSAVGLOQQACVBQ-LLVKDONJSA-N 339.351 1.931 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(-n2cncn2)nc1 48309820 WIFQLEBDDRVARJ-UHFFFAOYSA-N 346.391 1.193 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)Cc1ccc3c(c1)CCO3)C2 69922790 DSFOHPDDXMMIAZ-UHFFFAOYSA-N 338.411 1.971 0 40 EDAB COCCOc1cccc(CNCc2cccnc2-n2cncn2)c1 48713092 QLXJHDFYBQBLSQ-UHFFFAOYSA-N 339.399 1.977 0 40 EDAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)NCC(F)(F)F 6160652 OSVAJVAPXSNJPM-SECBINFHSA-N 330.310 1.508 0 40 EDAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 6339384 GDSJSRJKWNBJHQ-SJORKVTESA-N 328.412 1.998 0 40 EDAB CN(C)c1ncnc2c1CN(CC(=O)NCc1cccs1)CC2 65474341 AEDFNDFMKXEAMI-UHFFFAOYSA-N 331.445 1.279 0 40 EDAB CC(C)CNC(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1 65537701 BNJGYCRDSIQKQQ-ZDUSSCGKSA-N 346.449 1.662 0 40 EDAB COc1ccc(CC[C@@H](C)NC(=O)Cc2nc3ncccn3n2)cc1 65538388 WTTQPNNUSSJYFL-CYBMUJFWSA-N 339.399 1.813 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H](CN2CCC(C(N)=O)CC2)C1 65536677 GVGIEBJFUJQLEG-CYBMUJFWSA-N 325.453 1.831 0 40 EDAB CC(C)NC(=O)Nc1cccc(C(=O)N[C@@H](C)CN2CCCC2=O)c1 65520455 HCFYIEHOBLBNJR-ZDUSSCGKSA-N 346.431 1.957 0 40 EDAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)c(C)c1 409288985 DGOHCJHZRVLPOS-BKEDOTJMSA-N 341.363 1.489 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cccc(C(=O)NC2CC2)c1 14185174 UCDNIKYGTLZZGR-LLVKDONJSA-N 336.413 1.342 0 40 EDAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc(N)nc(N)n2)c1 6590414 CFWQVJIJODGVOC-GFCCVEGCSA-N 330.392 1.390 0 40 EDAB CCc1nnc2n1CCN(C(=O)C[C@H]1OCCc3sccc31)C2 71186402 AMNHVCZUIZUNOR-GFCCVEGCSA-N 332.429 1.948 0 40 EDAB O=C1C[C@H](n2nnn(-c3cccc(Cl)c3)c2=S)[C@H]2CO[C@@H]1O2 6659595 RGTCKGUCBKGBRY-MVWJERBFSA-N 338.776 1.707 0 40 EDAB CC1(C)CO[C@@H](c2ccccc2)CN1S(=O)(=O)N1CCOCC1 66937404 ZAPVJORONMBPNV-OAHLLOKOSA-N 340.445 1.416 0 40 EDAB Cc1cc(N)nc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)n1 7048737 GBOCLVCDMBSPPP-SNVBAGLBSA-N 346.412 1.893 0 40 EDAB CCn1nnc2cc(C(=O)Nc3ccc(-n4cnnn4)cc3)ccc21 15645774 LAHSMVUIADIGCX-UHFFFAOYSA-N 334.343 1.679 0 40 EDAB CCCn1nnnc1Cn1cnc2sc3c(c2c1=O)CCCC3 7475475 AIMYDQJTTOERNR-UHFFFAOYSA-N 330.417 1.782 0 40 EDAB CC(C)Cn1cnnc1[C@@H]1CCCN1CC(=O)NC[C@@H]1CCCO1 96415750 GGTCLDUOVDVUSM-GJZGRUSLSA-N 335.452 1.366 0 40 EDAB Cc1cc(C)n(-c2nnc(SCC(=O)NCCC(C)C)n2N)n1 7530494 INPNFOFMTKQRKP-UHFFFAOYSA-N 337.453 1.049 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)NC[C@H](C)CN2CCN(C)CC2)c1 80762667 PFISNGLEWUOUOE-AWEZNQCLSA-N 343.468 1.296 0 40 EDAB CCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408584361 OQRHFVPELJXEMC-LBPRGKRZSA-N 328.434 1.539 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[C@@H]2CCCC[C@H]2C1 16694865 GLVZMCISBMPCJT-KBPBESRZSA-N 333.432 1.890 0 40 EDAB CCc1nnc2n1CCN([C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 69442388 BETKCMAFEQSXDB-QGZVFWFLSA-N 343.406 1.815 0 40 EDAB O=C(CN1CCCC[C@H]1C1OCCO1)NC(=O)NC1CCCCC1 69535265 YRFHVTRWFCAZKQ-AWEZNQCLSA-N 339.436 1.372 0 40 EDAB Cc1nnc(SCCC(=O)Nc2cccc(F)c2)n1CC(N)=O 69655007 NLPBSAJHIQHJHG-UHFFFAOYSA-N 337.380 1.332 0 40 EDAB CCCCc1c(O)nc(SCC(=O)NC[C@H]2CCCO2)[nH]c1=O 8582810 JGAQJTHBEHSTRO-SNVBAGLBSA-N 341.433 1.205 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)cs1 71869801 KNDJMWQDYMQJKZ-GFCCVEGCSA-N 333.417 1.911 0 40 EDAB C[C@@H](C(=O)NCCCn1ccccc1=O)N1CCc2ccccc2C1 71897943 WGSKRBFEVHYPDI-INIZCTEOSA-N 339.439 1.801 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(Cl)s2)CC1 71881983 CSXAQZNLWWQGQF-LLVKDONJSA-N 332.853 1.557 0 40 EDAB NC(=O)CN1CCCN(C(=O)c2sccc2-n2cccc2)CC1 71829338 ZAFHUSMLMIGJPP-UHFFFAOYSA-N 332.429 1.172 0 40 EDAB O=C(CN1CCn2c(nnc2C2CC2)C1)Nc1ccc(Cl)cn1 71880265 KZOFKTSBOVWQJD-UHFFFAOYSA-N 332.795 1.658 0 40 EDAB CC(C)S(=O)(=O)[C@@H](C)C(=O)N1CCC(Nc2cccnn2)CC1 71863416 ZGMNTRUCMGSMFS-LBPRGKRZSA-N 340.449 1.091 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3COc4ccccc43)CCO2)n1 83829816 YWVYVYIRWMXMKT-OCCSQVGLSA-N 328.372 1.443 0 40 EDAB CCOCCC(=O)NC[C@@](C)(CC(C)C)NC(=O)CCOCC 72283918 UNCXJCHEHYSKMM-QGZVFWFLSA-N 330.469 1.877 0 40 EDAB CC(C)(C)[S@@](=O)CCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 71900271 PDJRJRMQLMQAMQ-WHEQGISXSA-N 328.478 1.298 0 40 EDAB COc1ccc2cc(C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)[nH]c2c1 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COCCN1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 95955577 XGGIIEALWBFVJC-UHFFFAOYSA-N 329.400 1.322 0 40 EDAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)c1ccnc(-n2cncn2)c1 95954657 WDVGUZPLURETGY-UHFFFAOYSA-N 345.366 1.982 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2F)CC1 95958254 REDGRMVVKBOBIZ-KRWDZBQOSA-N 333.407 1.481 0 40 EDAB CN(CC(F)F)S(=O)(=O)c1cc(Br)cnc1N 89340143 HDBDNRGWEGVSBC-UHFFFAOYSA-N 330.154 1.312 0 40 EDAB CN(C(=O)Cn1cnnn1)[C@@H](c1ccncc1)c1ccc(Cl)cc1 75093861 NCGLKGJQFOMLGP-MRXNPFEDSA-N 342.790 1.970 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)CCCc2nc3ccccc3[nH]2)CC1 75133723 MEFHYTQTIGHCKG-HNNXBMFYSA-N 344.459 1.801 0 40 EDAB COC(=O)c1ccc(CCNS(=O)(=O)c2c(C)noc2C)cc1 24484787 NIUACFUDFFPPJY-UHFFFAOYSA-N 338.385 1.599 0 40 EDAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NOC)C2=O 23041158 YRPFVXDWTLZUFR-UHFFFAOYSA-N 325.409 1.581 0 40 EDAB O=C(CCNC(=O)c1ccsc1)NCCc1ccc2c(c1)OCO2 32741243 DUUBHHBDTOCVIQ-UHFFFAOYSA-N 346.408 1.956 0 40 EDAB COCCS(=O)(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1 72265418 DDXOHHSOVDGWPW-UHFFFAOYSA-N 340.445 1.165 0 40 EDAB COC[C@@](C)(O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 70655690 LTOGUKNODJEEBZ-KSSFIOAISA-N 334.416 1.170 0 40 EDAB COC(=O)c1cc(NC(=O)[C@@H]2CCCN(C)C2)cc(C(=O)OC)c1 78578555 CZYZIBOUZJVRKN-LLVKDONJSA-N 334.372 1.540 0 40 EDAB Nc1ccc(C[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)nn1 72387403 YHJKFZWRDDFJFP-GFCCVEGCSA-N 333.417 1.097 0 40 EDAB Cn1ccnc1C[C@@H]1CCCN(S(=O)(=O)CC2CCOCC2)C1 122078390 ADSAUTGEHJXRBR-HNNXBMFYSA-N 341.477 1.431 0 40 EDAB CCn1c(=O)sc2cc(S(=O)(=O)N3CCOCC3)ccc21 75433488 ACPWZMZODCGGQV-UHFFFAOYSA-N 328.415 1.104 0 40 EDAB CC[C@H](NC(=O)N1CCO[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 78447476 IIRWKDJHZZEHJR-FZMZJTMJSA-N 341.433 1.215 0 40 EDAB COCCN1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC)CC1 78979408 WESBXAPKFOYSAT-IAGOWNOFSA-N 332.444 1.979 0 40 EDAB O=C1N[C@]2(C[C@H]3CC[C@@H]2N3C(=O)Cc2cccnc2)Nc2ccccc21 72327437 UJEGTNAPYZYEBO-LIVBEALHSA-N 348.406 1.939 0 40 EDAB CN(C)S(=O)(=O)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 75156493 FUIDKGNIIHMALL-UHFFFAOYSA-N 342.808 1.596 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(F)cc1 218579992 PACMMUHJVBRHGH-YDHLFZDLSA-N 329.393 1.234 0 40 EDAB CCOCCCNC(=O)c1cc(NC(=O)c2cccs2)n(C)n1 40745923 UEDKVYBBJVKDTI-UHFFFAOYSA-N 336.417 1.890 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)NCC=C(C)C)cn2)CC1 225620415 AYLNGVHUUWSONX-UHFFFAOYSA-N 331.464 1.989 0 40 EDAB COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2ccsc2)C1 190835553 MHQNESYLZSQMND-CQSZACIVSA-N 332.491 1.621 0 40 EDAB O=C(NCc1ccccc1F)c1ccc(S(=O)(=O)NC2CC2)o1 40088087 SZYUFEPZEZMQIH-UHFFFAOYSA-N 338.360 1.789 0 40 EDAB O=C1c2cnc(N3CCOCC3)nc2CN1c1ccc2c(c1)CCC2 41122945 WWVQKJJYZPCRQJ-UHFFFAOYSA-N 336.395 1.962 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@H]1Cc2ccccc2[C@@H]1O 195286601 QDLGUPNALGCKSS-YOEHRIQHSA-N 333.409 1.940 0 40 EDAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCOC)ccc21 225721661 CNUJMXCVOCLEOU-UHFFFAOYSA-N 330.431 1.398 0 40 EDAB CNC(=O)c1ccc(N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)nn1 583615975 ZASAJMRUVCZITF-HZMBPMFUSA-N 334.326 1.427 0 40 EDAB Cc1nc(C)c(CNC(=O)NCCN2CCC(N(C)C)CC2)s1 96452374 STVIALLWNSOPSL-UHFFFAOYSA-N 339.509 1.585 0 40 EDAB COC[C@@H]1CN(S(=O)(=O)c2ccccc2F)Cc2cncn2C1 96207183 XZJDSSKPXOYQBX-LBPRGKRZSA-N 339.392 1.489 0 40 EDAB CN1C(=O)C[C@@H](c2ccncc2)C12CCN(C[C@@H]1CCOC1)CC2 96069799 OULAWYYDOZYMPN-RDJZCZTQSA-N 329.444 1.898 0 40 EDAB O=C(CN1CCCS1(=O)=O)NCC1(c2ccc(Cl)cc2)CC1 96403626 RQKGMJGWHBLKKO-UHFFFAOYSA-N 342.848 1.523 0 40 EDAB c1cc(CN2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)ccn1 96202044 DYCWPFUMKMSYNA-IBGZPJMESA-N 331.460 1.785 0 40 EDAB CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ncccn3)CC[C@H]2C1=O 96041111 LRLDAZBLVYLNHI-BRWVUGGUSA-N 344.459 1.824 0 40 EDAB O=C(NCC[S@](=O)c1ccccc1)NC[C@@H](O)c1ccsc1 96417779 SWJSFMAMWQWGGB-JLCFBVMHSA-N 338.454 1.889 0 40 EDAB Cn1cc(CN2CCC[C@@]3(CCN(Cc4cnn(C)c4)C3)C2)cn1 96046980 KFQUFLWMLKSDMI-GOSISDBHSA-N 328.464 1.642 0 40 EDAB Cc1nc(C)n(CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1 332322235 PAOHOZJDWZVHIZ-CYBMUJFWSA-N 347.463 1.392 0 40 EDAB CC(C)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3nccs3)C[C@@H]21 96182718 NRWXHNJLWYNPQB-OAGGEKHMSA-N 348.516 1.952 0 40 EDAB Cn1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc21 95473067 JACRZMJLYSXRPE-UHFFFAOYSA-N 344.396 1.151 0 40 EDAB COc1ccc(CN2CCOC[C@@]3(C[C@H](CN(C)C)CO3)C2)cc1 96051944 OUECYEPEFWWLKF-IEBWSBKVSA-N 334.460 1.864 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)CN1CCN(c2ccccn2)CC1 96436331 ADZUDOZEOODZEB-CQSZACIVSA-N 342.447 1.123 0 40 EDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CN)CO)cc1 242548257 LFYXCTKVCKRHEA-FGTMMUONSA-N 347.436 1.572 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(CN)CO 242495534 GISYQPJWARCQMP-UPJWGTAASA-N 348.262 1.287 0 40 EDAB Cn1cc(C(=O)N2CCCC[C@@H]2c2cc(O)n3ccnc3n2)cn1 257311033 UHQVHNXHGFTAFR-CYBMUJFWSA-N 326.360 1.536 0 40 EDAB Cc1ccsc1C(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257251393 JQOARLZRHWNHOI-VXGBXAGGSA-N 330.400 1.973 0 40 EDAB O=C(c1cc2c(nc1O)CCCC2)N1CCO[C@H](c2cnccn2)C1 257223762 DYSFVWYRLXKATA-INIZCTEOSA-N 340.383 1.670 0 40 EDAB CCOc1ccsc1C(=O)N1Cc2ccnn2[C@@H](C(=O)NC)C1 253385153 RPKNKBYAQXHSNH-LLVKDONJSA-N 334.401 1.286 0 40 EDAB Cn1ncc2c(NCc3ccc(OCC(F)(F)F)nn3)ncnc21 585092612 GWIRKAOBYOJFBF-UHFFFAOYSA-N 339.281 1.707 0 40 EDAB CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@H]1CCN(c1cnccn1)C2 257201982 AJYNFNLHKKLFSW-QRQLOZEOSA-N 337.427 1.522 0 40 EDAB O=C(CC1(O)CCCCC1)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257246327 ITPNGQQXVAZKNZ-CQSZACIVSA-N 349.431 1.285 0 40 EDAB CC(=O)N1CC(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3NCCCC[C@@H]32)C1 257266135 MBSZPWIKUMNGFX-FHWLQOOXSA-N 341.455 1.601 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(CC(=O)N3CCCC3)CCO2)n1 257332029 XVLOMYRKSZHMIJ-QGZVFWFLSA-N 332.448 1.452 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN1Cc1ccccc1 257326182 WWECWSCXFDQQCI-KRWDZBQOSA-N 338.411 1.154 0 40 EDAB CCc1ccccc1S(=O)(=O)N1CCC[C@@H](N2CCOCC2)C1 585114772 YFFXOQCNPFBRGQ-MRXNPFEDSA-N 338.473 1.734 0 40 EDAB Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 585138222 WRRKAJJLIQFYEC-AOOOYVTPSA-N 331.365 1.630 0 40 EDAB CCn1cc(S(=O)(=O)NCc2cc(Br)no2)cn1 585114739 WPOBKYUXJQLNBP-UHFFFAOYSA-N 335.183 1.132 0 40 EDAB CNC(=O)[C@H]1CN(C[C@H](C(=O)OC(C)(C)C)c2ccccc2)CCO1 585133396 GYBYBEBHAHFDIF-JKSUJKDBSA-N 348.443 1.559 0 40 EDAB Cn1cncc1CC(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 585112966 PPDYLZIBLQYZQL-KBPBESRZSA-N 348.447 1.915 0 40 EDAB CNc1cc([C@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)ccn1 257264051 LSSMKYKDRXSVAI-GFCCVEGCSA-N 345.403 1.117 0 40 EDAB COCC1(C(=O)NS(=O)(=O)c2c(F)cc(OC)cc2F)CCC1 252489117 JFYJPVSURCZQCU-UHFFFAOYSA-N 349.355 1.595 0 40 EDAB O=S(=O)(c1cccs1)N1CCOC[C@@H]1CCc1cnccn1 257280103 OJLPCSIVYJRGRL-ZDUSSCGKSA-N 339.442 1.560 0 40 EDAB CCc1nccn1CCC(=O)NCc1ccnc([C@H]2CCCO2)n1 257328424 XFOUHSTUPWWSKD-CQSZACIVSA-N 329.404 1.794 0 40 EDAB COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)[C@@H]1CCN(C)[C@@H]1C 592797877 KWSDZPUOPHTZJO-ABFRBSLYSA-N 332.444 1.863 0 40 EDAB Cn1cc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)nn1 96098425 AAOXEUAMACWUHM-UHFFFAOYSA-N 337.339 1.863 0 40 EDAB O=C(Nc1cnn([C@@H]2CCOC2)c1)c1cccc(-n2cnnn2)c1 96122970 WFTJQXXABJSJAV-CQSZACIVSA-N 325.332 1.073 0 40 EDAB CC(C)NS(=O)(=O)CCNC(=O)N1CCC(=C(F)F)CC1 1615570974 FSFCNKVUKALHLF-UHFFFAOYSA-N 325.381 1.270 0 40 EDAB O=C(NCc1ccco1)C(=O)NC[C@@](O)(c1ccoc1)c1ccco1 390826564 NHJNLUFYIXQDFK-QGZVFWFLSA-N 344.323 1.134 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](C(=O)NC2CC(F)(F)C2)C1 575406202 YEWCXHLLZFOPJR-ICCXJUOJSA-N 338.358 1.336 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@H](OCc3cccc(C)n3)CS2)C1 575404620 OYJVAZCWYUUXRP-AWEZNQCLSA-N 342.486 1.816 0 40 EDAB CC(C)(C)NC(=O)c1ccc(C(=O)NCCCN2CCCC2=O)cc1 58283849 CVLOAVAQZQBMRH-UHFFFAOYSA-N 345.443 1.957 0 40 EDAB Cc1nc([C@H]2CCN(C(=O)Nc3cnn(CCN(C)C)c3)C2)no1 1548453591 NDVXQYVNPGIZTL-LBPRGKRZSA-N 333.396 1.158 0 40 EDAB CC(C)(C)c1cn2nc(N3CCO[C@H](Cn4cncn4)C3)sc2n1 69814083 XWRAYQXMLBBHAV-NSHDSACASA-N 347.448 1.585 0 40 EDAB CC(C)(C)N1C[C@@H](NC(=O)NCc2ccc3c(c2)OCO3)CC1=O 84170004 GFAYVULFDXEHJA-LBPRGKRZSA-N 333.388 1.614 0 40 EDAB CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCNC2)c1 95996583 GSNJEFVHCCYNDW-VIFPVBQESA-N 348.266 1.155 0 40 EDAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)Cc1ccccc1 96375677 RRTLGOXCQMEZSI-YIONKMFJSA-N 343.470 1.556 0 40 EDAB OCCN(CCO)c1ncc(-c2nc3cc(Cl)ccc3o2)cn1 5582976 JBFQOEHCKHPWPK-UHFFFAOYSA-N 334.763 1.729 0 40 EDAB Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 12117078 ZENKSEMUGYBFPF-VIFPVBQESA-N 336.373 1.547 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1 12156088 SYDKAQVSBRPEQT-OAHLLOKOSA-N 345.378 1.822 0 40 EDAB COc1cc(NC(=S)NN2CCOCC2)cc(OC)c1OC 17067040 ALWQNQBMQFSIKN-UHFFFAOYSA-N 327.406 1.246 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)CC(C)(C)C)C[C@@H]4C3)ncnc21 1888854175 FOUOYOYJZROLEC-CHWSQXEVSA-N 342.447 1.694 0 40 EDAB COc1ccc(N[C@@H](C)c2nc(C)no2)cc1S(=O)(=O)N(C)C 27170642 YLALWLYOYMCCHL-VIFPVBQESA-N 340.405 1.810 0 40 EDAB Cc1noc([C@@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 27765359 QFTANZWDUFVHBR-GFCCVEGCSA-N 330.388 1.986 0 40 EDAB CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)s1 29028507 RHPASOSODZOOSM-UHFFFAOYSA-N 330.391 1.196 0 40 EDAB O=C(c1ccc(-n2cccc2)cc1)N1CC(N2C(=O)COC2=O)C1 244983877 IUWOFYWIEIPQDU-UHFFFAOYSA-N 325.324 1.281 0 40 EDAB COc1cc(C(=O)N2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)on1 1565548072 QOACGHMODIKFGJ-MQIPJXDCSA-N 345.355 1.529 0 40 EDAB Cc1cc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccccn2)n(C)n1 1565541597 ASGIIJHSFNSYMZ-IRXDYDNUSA-N 325.416 1.499 0 40 EDAB COC1(CC(=O)N2CC3(C2)CN(C(C)C)c2nccnc23)CCC1 2055794369 QZTMUBFFZQRQHB-UHFFFAOYSA-N 330.432 1.744 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CCN(c2cnsn2)CC1 585148774 HEGSLZICKSHFNE-UHFFFAOYSA-N 342.421 1.497 0 40 EDAB C[C@H](NC(=O)C(=O)NC[C@@](C)(O)Cc1ccco1)c1ccccc1 206620663 XRCZQUYAGOVNGF-UGSOOPFHSA-N 330.384 1.567 0 40 EDAB CSc1ncccc1C(=O)NCc1nc(-c2cnn(C)c2)no1 390831802 VBRJVMQHQABCDI-UHFFFAOYSA-N 330.373 1.517 0 40 EDAB O=c1cc2c(nn1CC1CCN([C@H]3CCC[C@@H]3O)CC1)CCCC2 585500374 IFZSXECMQLAEAX-ROUUACIJSA-N 331.460 1.748 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccco2)cc1F 75156320 UVCVIALBQUSDMT-AWEZNQCLSA-N 329.349 1.613 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](CN)C1 50246679 XVGWPFVUOGOCBO-JTQLQIEISA-N 333.251 1.727 0 40 EDAB CN1CCN(c2ccc(NC(=O)COc3ccccc3)cn2)CC1 20374151 WOPWYFHQAWPTEP-UHFFFAOYSA-N 326.400 1.851 0 40 EDAB O=C(Cc1cnn(-c2ccccc2)c1)NCCNC(=O)c1cccnc1 31796453 CPBWYLWGRZJAFH-UHFFFAOYSA-N 349.394 1.356 0 40 EDAB CC(C)N(CC(N)=O)CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 51966553 SEBXCRSBSHBPKV-UHFFFAOYSA-N 345.365 1.860 0 40 EDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC 32513939 MPJFGSBTDPJDEQ-UHFFFAOYSA-N 344.433 1.193 0 40 EDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 311478 YTWDRJONHCRXPX-UHFFFAOYSA-N 336.344 1.903 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cccc(F)c2)cc1 2630638 FRYMNBALTKULAS-RMKNXTFCSA-N 348.399 1.845 0 40 EDAB COC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1 1720422 FBFNJDZYIIOJMK-UHFFFAOYSA-N 339.359 1.007 0 40 EDAB in-vitro CNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C 6202992 VZDAQRGTCQRBHD-UHFFFAOYSA-N 340.445 1.731 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649499 NODWSPSDMANELZ-BXUZGUMPSA-N 343.383 1.775 0 40 EDAB O=C(NCc1ccco1)[C@@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@]23C=C[C@H]1O3 6759692 DXIBGXRLIIIXPI-YYAJDYIMSA-N 342.395 1.620 0 40 EDAB Cc1[nH]c2ccccc2c1CCNC(=O)CCS(=O)(=O)N(C)C 97032182 MCFBQFAZUKPRMV-UHFFFAOYSA-N 337.445 1.417 0 40 EDAB CON(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 47295581 FYIDWGTVBPLCDL-UHFFFAOYSA-N 327.337 1.588 0 40 EDAB Cc1cc(NC(=O)NCC(=O)NCC2CC2)nn1-c1cccc(F)c1 97047334 QRSLBZLLVAQHJJ-UHFFFAOYSA-N 345.378 1.968 0 40 EDAB Cc1cc(C)n(CCC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)n1 22184069 SLNLPKNDRRQGPY-OAHLLOKOSA-N 347.440 1.925 0 40 EDAB CN(C(=O)[C@H]1CCCN1C(=O)Cc1cn2ccsc2n1)C1CC1 97012322 RXIMNINOKHVUJC-CYBMUJFWSA-N 332.429 1.550 0 40 EDAB Cc1occc1C(=O)NCC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 54078484 GJTDLOIWZBQZSM-CQSZACIVSA-N 347.415 1.083 0 40 EDAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCNC(=O)C2)cc1 23418469 ZHVBBBSSDIKBGN-UHFFFAOYSA-N 331.416 1.062 0 40 EDAB Nc1nc(CN2CCN(C=O)CC2)nc(Nc2ccc(Cl)cc2)n1 24203529 OBMMBFGAOGUGQP-UHFFFAOYSA-N 347.810 1.125 0 40 EDAB Cn1cc(CN2CCC3(CC2)CC(NC(=O)c2ccnnc2)C3)cn1 108532385 YXYKHOAEUCBGQE-UHFFFAOYSA-N 340.431 1.385 0 40 EDAB Cc1nc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)c2ccccn12 76056138 CFKFAFLYHXIMPB-CZUORRHYSA-N 328.416 1.435 0 40 EDAB CC(=O)N[C@@H](C(=O)Nc1ccc(-n2nc(C)cc2C)nc1)C(C)C 24571913 SCNCLBXKXIQXGJ-MRXNPFEDSA-N 329.404 1.983 0 40 EDAB CCNC(=O)NC(=O)CN1CCC[C@@H](c2nc3ccccc3o2)C1 24664081 WKXFEKJWXNGIDF-GFCCVEGCSA-N 330.388 1.853 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)CCCn1c(=O)oc2ccccc21 24808119 GRJAUVQGLXDFJN-ZDUSSCGKSA-N 328.372 1.776 0 40 EDAB Cc1ccc(N2CCC[C@@H](NC[C@@H](O)COc3ccccc3)C2)nn1 106774514 YYZQPLDAKKWHFQ-IAGOWNOFSA-N 342.443 1.783 0 40 EDAB CCOc1cccc(N2CCN(C(=O)c3cnn(C)c3C)CC2)n1 106705880 MXKWNUWYVAFXDC-UHFFFAOYSA-N 329.404 1.485 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)CCCC(C)C)n(C)c1 25345896 GBONHVZRMZNAFN-GFCCVEGCSA-N 329.466 1.878 0 40 EDAB C[C@H]1CN(CC(=O)NCc2cccc(NC(=O)C3CC3)c2)C[C@H](C)O1 25412258 IQOHRFIWCZWZNT-KBPBESRZSA-N 345.443 1.761 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC(C)C)C2=O)cc1 12687622 ZLMYNFIDHMSHFX-QGZVFWFLSA-N 333.388 1.234 0 40 EDAB Cc1nn(C)c2cnn(CCCNS(=O)(=O)c3cccs3)c12 57279689 JUUSBQORYUTECW-UHFFFAOYSA-N 339.446 1.508 0 40 EDAB O=C(CNc1cccc(Cl)c1Cl)N[C@@H]1CCS(=O)(=O)C1 25894931 HRXZVNUSVRMOIQ-MRVPVSSYSA-N 337.228 1.709 0 40 EDAB O=C(c1c[nH]cn1)N1CC[C@H]2OCCN(Cc3ccncc3)[C@@H]2CC1 107255185 UPCWQWBJRPFEDQ-IAGOWNOFSA-N 341.415 1.310 0 40 EDAB Cc1nn(C)c2cnn(CC(=O)N3CCN(c4ccccc4)CC3)c12 57279020 ADGORXSONXVCDD-UHFFFAOYSA-N 338.415 1.427 0 40 EDAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCCC1 48253372 VZVRAFQHGDIRIU-UHFFFAOYSA-N 347.459 1.058 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CCC(=O)N3CCc4ccccc43)CCO2)n1 76048518 HSAPMBUUOLYTSO-INIZCTEOSA-N 341.415 1.466 0 40 EDAB Cn1cccc1[C@@H]1COCCN1C(=O)c1cccc(-n2cccn2)n1 97144121 QIEHHYKXIZOWMD-INIZCTEOSA-N 337.383 1.820 0 40 EDAB CC1CCN(CCCNC(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 44869557 UKQCFUJWFFKPQW-OAHLLOKOSA-N 345.509 1.039 0 40 EDAB Cc1ccccc1C(C)(C)CNS(=O)(=O)c1cc(C(N)=O)n(C)c1 58281515 HMTJOWOYMNVKFK-UHFFFAOYSA-N 349.456 1.689 0 40 EDAB C[C@H]1C[C@H](Sc2nc3ccccc3c(=O)n2CCCO)C(=O)O1 12771230 REVFRDWUKHXSIG-GWCFXTLKSA-N 334.397 1.575 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)NC[C@H](O)c1ccccc1 44966331 BTFKVCMSTMSNGH-AWEZNQCLSA-N 329.404 1.537 0 40 EDAB O=c1cc(CN2CCC[C@H](c3nc4ccccc4o3)C2)[nH]c(=O)[nH]1 44933945 WEVACXZTXOPIBI-NSHDSACASA-N 326.356 1.584 0 40 EDAB CC1(C)CC(NC(=O)C(=O)NCCc2ccccc2)CC(C)(C)N1 2246781 KTJIAOOGDAQKMA-UHFFFAOYSA-N 331.460 1.771 0 40 EDAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)c1cnn3cccnc13)C2 97198064 YKZADPSTHGBPGN-GFCCVEGCSA-N 338.415 1.968 0 40 EDAB COc1ccccc1OCC(=O)N1CCN(c2cnccn2)CC1 11544215 VBSWSOQJUKJBMU-UHFFFAOYSA-N 328.372 1.213 0 40 EDAB O=C(CCCNc1ncccn1)N1CCN(c2nccs2)CC1 45801112 XRYYBDDZCGAMDZ-UHFFFAOYSA-N 332.433 1.474 0 40 EDAB CNC(=O)COc1ccc(CNc2cncc(-n3cccn3)n2)cc1 48314913 QAKGWASEZLMTML-UHFFFAOYSA-N 338.371 1.399 0 40 EDAB Cc1ccccc1CC(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 69386699 LQBXEBSBZVORSX-UHFFFAOYSA-N 349.394 1.873 0 40 EDAB COc1cccc(CNC(=O)CNc2ccc(S(N)(=O)=O)cc2)c1 69380972 BJRPJCXXFKPPTE-UHFFFAOYSA-N 349.412 1.071 0 40 EDAB C[C@H]1CN(C2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H](C)O1 13115899 WSDALVGVMYXOLO-GASCZTMLSA-N 338.473 1.949 0 40 EDAB CO[C@@H](C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 49114617 KDZBIJUIJANVJV-JTQLQIEISA-N 328.210 1.528 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306131968 KUDUYNUPDHCDRY-LBPRGKRZSA-N 344.346 1.321 0 40 EDAB O=C(/C=C/c1ccco1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 69922261 SOFNJMRQVIIWBD-KXLSMFKISA-N 338.429 1.061 0 40 EDAB CCN1C(C(=O)Nc2cc(C)on2)=C(O)c2ccccc2S1(=O)=O 8475919 HAENNUDFQUYKCN-UHFFFAOYSA-N 349.368 1.873 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)[C@@H]1Cc3cc(Cl)ccc3O1)CC2 65463417 GTLXZDNLZTUUQV-OCCSQVGLSA-N 332.791 1.675 0 40 EDAB CC[C@@H](COC)NC(=O)N1CCN(c2ccc(Cl)cn2)CC1 76018530 NVZWMHFAAQEXBI-ZDUSSCGKSA-N 326.828 1.992 0 40 EDAB NS(=O)(=O)c1cnn(CCC(=O)Nc2ccc3ccccc3n2)c1 65594478 QLRLCCFMPAVKPW-UHFFFAOYSA-N 345.384 1.108 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)COCC(F)(F)F 65585710 QHNXJCHQPMHHEN-QMMMGPOBSA-N 349.309 1.883 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c2ccccc21 69656739 QNHHJXSREZITRS-XJKSGUPXSA-N 349.390 1.655 0 40 EDAB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N1CCN(CCOC)CC1 69627832 GVEVHWVAFCRLDB-HUUCEWRRSA-N 337.468 1.445 0 40 EDAB CC(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOc2ccccc2)C1 69702326 GZIMWRPIDJEBKO-INIZCTEOSA-N 340.445 1.338 0 40 EDAB CN(CCO)C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)OC2 6662866 FJHOTEJGIFVIOI-UHFFFAOYSA-N 328.390 1.754 0 40 EDAB Cc1cc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)c(OC(F)F)cc1C 92008031 QLDBRJQMPBGYEQ-RISCZKNCSA-N 328.359 1.979 0 40 EDAB CCCOc1ccccc1NC(=O)Cn1cnc2c(cnn2C)c1=O 8728902 TZDJFWOUPCFLPU-UHFFFAOYSA-N 341.371 1.558 0 40 EDAB CN(C)C(=O)CNC(=O)COc1ccc2oc3c(c2c1)CCCC3 7036983 QQZWREXVYBAEDF-UHFFFAOYSA-N 330.384 1.895 0 40 EDAB COc1ccc(-c2nnc(SCC(N)=O)n2C[C@@H]2CCCO2)cc1 7007784 KIUZBKBTBDYWHJ-ZDUSSCGKSA-N 348.428 1.710 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)N1CCCCC1 23022609 KQPWLRYMCWVMJB-CQSZACIVSA-N 340.445 1.879 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)CCOc2ccccc2)cc1 15613510 LZJIAKPZGAAHCB-UHFFFAOYSA-N 334.397 1.419 0 40 EDAB Cc1ccc(CC(=O)N2CCN(C(=O)NC[C@@H]3CCCO3)CC2)cc1 71186335 MBJSRXQSRLRZIB-KRWDZBQOSA-N 345.443 1.570 0 40 EDAB Cc1cnn(C[C@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)c1 71186524 XWGYPOGGXSVRRC-MRXNPFEDSA-N 332.404 1.144 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCN(C(C)C)CC1 68776722 NIZGCKYSONACQF-SFHVURJKSA-N 329.444 1.907 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCc1nnc2n1CCC2 97299729 SJPJJCZBLLMKMM-JXDHDYMSSA-N 349.460 1.098 0 40 EDAB O=C(NC1CCCCC1)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 97238298 CYWINKPMFMAROC-HNNXBMFYSA-N 343.493 1.270 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@@H](C(N)=O)C1 72656302 DPURGQMJBAWVAR-CQSZACIVSA-N 326.400 1.827 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)C[C@H](NC(N)=O)c2cccs2)cn1 71796854 BPPTUTDOWQNRIZ-QWHCGFSZSA-N 347.444 1.945 0 40 EDAB O=C1CCc2cc(OCCOC(=O)c3ccc[nH]c3=O)ccc2N1 71796286 SFULYQKGIYCABS-UHFFFAOYSA-N 328.324 1.495 0 40 EDAB CN1CC[C@H](NC(=O)NCc2nccn2CCc2ccccc2)C1=O 83655542 FRTUUAKRRUYELR-HNNXBMFYSA-N 341.415 1.156 0 40 EDAB CC(C)(C)c1ncc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)s1 71827005 UGGGMGPYICEXCR-UHFFFAOYSA-N 336.417 1.255 0 40 EDAB O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@H](N2CCNC2=O)C1 71841690 UBQVCRVPJOCEOX-HNNXBMFYSA-N 339.399 1.502 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)COCc2ccccc2Cl)CC1 71881139 GCFQCTXMDUHFJH-HNNXBMFYSA-N 340.851 1.772 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)on1 71828056 FGIYBBJYHHWGLG-HNNXBMFYSA-N 331.420 1.702 0 40 EDAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CCS(C)(=O)=O)C2=O 71802078 BMZOWLVFTSHJGN-UHFFFAOYSA-N 344.477 1.948 0 40 EDAB CC[C@@H](C)[C@H](CO)Nc1ncnc2c1c(Br)nn2C 71920887 YZIATCNYQFSOQN-SFYZADRCSA-N 328.214 1.945 0 40 EDAB CC(C)(C)c1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n[nH]1 71913807 IWSOPMGRSGRTMF-UHFFFAOYSA-N 348.428 1.794 0 40 EDAB CC(C)OCCOC[C@H](O)CN(C)C(=O)NCCc1ccccn1 71913537 TUIVSUADKGEBCV-MRXNPFEDSA-N 339.436 1.068 0 40 EDAB COc1ccc(S[C@H](C)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 83927543 RYKIXAYODIASSK-NEPJUHHUSA-N 336.413 1.839 0 40 EDAB CN(C)CCCN(CCCN(C)C)C(=O)c1ccc2cc[nH]c2n1 95467426 RJNWTQYXTWAFFW-UHFFFAOYSA-N 331.464 1.909 0 40 EDAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cnn(C)c1 79189332 OZOYSSXBZCUWEY-BBRMVZONSA-N 340.335 1.983 0 40 EDAB biogenic O=C([C@H]1CCCN1C(=O)C1CC1)N1CCN(c2ccc(F)cc2)CC1 73720263 XNCQMIMFWFLOBA-QGZVFWFLSA-N 345.418 1.875 0 40 EDAB Cc1cnn(CCCNC(=O)N2CCC[C@H]2CN2CCOCC2)c1 73946607 YZZLDDAOSOHQAE-INIZCTEOSA-N 335.452 1.088 0 40 EDAB Cc1cccc(F)c1NC(=O)NC[C@@](C)(O)CN1CCOCC1 95996401 IHRPXHBKFKTVFE-MRXNPFEDSA-N 325.384 1.339 0 40 EDAB CCO[C@@H]1C[C@H](NC[C@H]2CCCN2S(C)(=O)=O)C12CCCC2 95988130 VIFWUQFTWQOPFD-QLFBSQMISA-N 330.494 1.738 0 40 EDAB CC(C)CCS(=O)(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 95986790 YKVHZUBGJYPOEG-UKRRQHHQSA-N 328.478 1.838 0 40 EDAB Cc1cc(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl 42178640 LKGHUKHZYGAJJA-LBPRGKRZSA-N 345.848 1.981 0 40 EDAB O=c1oc2cccnc2n1CCSc1nnnn1C1CCCC1 89527133 JJIVXDJXQPYZMG-UHFFFAOYSA-N 332.389 1.883 0 40 EDAB COC[C@@](C)(CC(=O)OC)NCC(=O)N[C@H](c1ccccc1)C1CC1 75105686 YSNZAHWKECDJAS-RTBURBONSA-N 348.443 1.812 0 40 EDAB O=C1CNC(=O)N1CCCOc1ccc(Br)cc1F 89768246 JYYNQDHTZHKODK-UHFFFAOYSA-N 331.141 1.909 0 40 EDAB O=C(NCCc1cccnc1)[C@H]1COCC(=O)N1Cc1ccccc1 89834811 HKMURTVQAXHAQM-QGZVFWFLSA-N 339.395 1.168 0 40 EDAB CC(=O)N1CCCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 89930547 JZEVOUGXSMLRGG-UHFFFAOYSA-N 347.419 1.004 0 40 EDAB C[C@@H]1CN(C(=O)C2=NO[C@@]3(CCCNC3)C2)C[C@H](c2ccsc2)O1 1548545660 QMGREQFIFHNGJE-VMGRFDJRSA-N 349.456 1.935 0 40 EDAB CCn1cccc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 409128504 FGDLXAJGFSHVHK-JLHYYAGUSA-N 349.412 1.403 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 69926606 GGQCSAUXXBDNFF-MDZLAQPJSA-N 328.434 1.978 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218050148 CMBXNNHKDHTMJE-SOLBZPMBSA-N 346.404 1.998 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)nnc1C 78115111 ODGBJWGNRXFRHQ-INIZCTEOSA-N 326.400 1.933 0 40 EDAB COc1cccc([C@H]2CCCN2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 42869100 LIEHSQOTAGEITH-DZGCQCFKSA-N 338.429 1.729 0 40 EDAB CC1CCN(C[C@H](O)Cn2ccnc2[C@@H](O)c2cccnc2)CC1 189454705 KHWZQMNSIUQTIZ-IRXDYDNUSA-N 330.432 1.453 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](Oc2cnsn2)C1 670902325 FIQHCFHDCABDMZ-NSHDSACASA-N 343.405 1.828 0 40 EDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)/C=C/c1ccc2c(c1)OCO2 79042337 RKWWJANVMFAYCG-WMADIVHISA-N 339.413 1.710 0 40 EDAB COCCCNC(=O)C(=O)Nc1ccc(Br)c(C)c1 42646168 IVONXHSKKCMQOL-UHFFFAOYSA-N 329.194 1.849 0 40 EDAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 44577069 JWJFNCWGFWQPFH-ZDUSSCGKSA-N 325.372 1.431 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccc(F)cc1F 48991443 FFQPLVQOYCONDN-UHFFFAOYSA-N 345.327 1.343 0 40 EDAB CCN(CC)C(=O)Cn1c(=O)n(CC(C)C)c(=O)c2ccccc21 40478560 BVBFLBRCDCLUJN-UHFFFAOYSA-N 331.416 1.688 0 40 EDAB C[C@H](CC(=O)Nc1cn(C)c(=O)n(C)c1=O)C(=O)c1cccc(F)c1 573862098 YKMASLIYANDQBX-SNVBAGLBSA-N 347.346 1.071 0 40 EDAB NC(=S)n1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O 40391541 FBXGLIRTSRYPTE-UHFFFAOYSA-N 340.343 1.337 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)N(C)Cc1cccc(O)n1 1579287818 BXGZKLQAYPJJNU-GOSISDBHSA-N 327.384 1.555 0 40 EDAB Cn1cccc1-c1noc(CNC(=O)[C@H]2COc3ccccc3O2)n1 225765490 CQDIZEJMBIAIRK-CQSZACIVSA-N 340.339 1.531 0 40 EDAB O=C(CC1CC1)NCc1cnc2n1CCN(Cc1ccccn1)CC2 96197044 LMTOEMCIJKTATC-UHFFFAOYSA-N 339.443 1.753 0 40 EDAB Cc1cnc(N(C)C[C@@H](O)CN2CCOCC2)c(Br)c1 194322591 IHEJKCXDTAIYON-GFCCVEGCSA-N 344.253 1.282 0 40 EDAB Cc1noc([C@H]2CO[C@@H]3CN(S(=O)(=O)c4ccccc4C)C[C@@H]32)n1 96217136 MRAHQNKHIIDXOV-HZSPNIEDSA-N 349.412 1.490 0 40 EDAB Cc1cnc(C(=O)Nc2ccnc(OC3CCN(C)CC3)c2)cn1 95462407 OWUJWXNGDIFSPA-UHFFFAOYSA-N 327.388 1.905 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N1CCN([C@H](C)c2ccsc2)CC1 96503147 LEBKHHIDAHUAIG-ZIAGYGMSSA-N 348.476 1.817 0 40 EDAB Cn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)Cc1cccs1)C2 96198597 MYQRLSRNMHXMNP-CYBMUJFWSA-N 346.456 1.972 0 40 EDAB O=C(c1cccs1)N1CCOC[C@]2(CC[C@@H](Cn3cncn3)O2)C1 96160567 QYONVNDMYGWUAY-BBRMVZONSA-N 348.428 1.430 0 40 EDAB O=C(N[C@@H]1CCCN(c2ccccn2)C1)N1CCCC[C@@H]1CCO 96493260 AWLCJVZOGHONMJ-HZPDHXFCSA-N 332.448 1.997 0 40 EDAB c1cnc(OC[C@@H]2CC[C@@H]3[C@@H]2OCCN3Cc2ccncc2)nc1 96249998 GKMXSUAOFHNXOM-GVDBMIGSSA-N 326.400 1.930 0 40 EDAB O=C(c1ccccn1)N1CCC2(CC1)C[C@H](Nc1cnccn1)CO2 96224792 AKXTVSVFTZDBLF-AWEZNQCLSA-N 339.399 1.747 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)nn1 96120443 KDHRXZVZGCVWLS-UHFFFAOYSA-N 345.378 1.236 0 40 EDAB Cn1ccc(C(=O)N2CCC3(CC2)CO[C@H](COCC2CC2)C3)n1 96106051 OEOXRYSWZXCTCN-HNNXBMFYSA-N 333.432 1.858 0 40 EDAB COc1cc(N2CCO[C@@]3(CCCN(c4ccccn4)C3)C2)ncn1 96226363 XCWSAPFLSCEHHR-GOSISDBHSA-N 341.415 1.756 0 40 EDAB CS(=O)(=O)N(Cc1ccccn1)Cc1cnn(-c2ccccc2)n1 96404220 VNXADJBIPDJNEJ-UHFFFAOYSA-N 343.412 1.624 0 40 EDAB c1ccc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1 96415025 VYLFWTFKODSHDO-UHFFFAOYSA-N 340.431 1.030 0 40 EDAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)N1CCCC1)C2 96238075 UNFGEKWJFXXZDN-GOSISDBHSA-N 343.431 1.020 0 40 EDAB Cc1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cn1 96420490 FLKGDOLQSJAZMC-GOSISDBHSA-N 325.412 1.907 0 40 EDAB O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 247369250 GQNPGRIHXHALTO-XSXPHNMFSA-N 345.351 1.027 0 40 EDAB COC[C@H]1CN(C(C)=O)CC12CCN(Cc1cccnc1OC)CC2 247962722 WATRVVAQDHTKHB-QGZVFWFLSA-N 347.459 1.797 0 40 EDAB CCCS(=O)(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccs2)C1 249687591 HKQQMKWUSRWQAQ-ZFWWWQNUSA-N 342.486 1.816 0 40 EDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CN)C(=O)O)cc1 242649045 RSPXKHMQBUSDDP-SOLBZPMBSA-N 345.420 1.964 0 40 EDAB COCCC(=O)N1CCC[C@H](c2cncc(-c3cnc(C)n3C)n2)C1 257336116 YNGNEEJUXIKTLP-AWEZNQCLSA-N 343.431 1.928 0 40 EDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CCn2ccnc2)n1 257270205 MTDXBEZXYYXJCU-MRXNPFEDSA-N 342.403 1.063 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cc(C)no3)CC2)C[C@@H](O)C1(C)C 257213564 CICOCXRBPTVPRI-OAHLLOKOSA-N 349.431 1.597 0 40 EDAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1cccc(F)c1 257284921 PEWIDBIYOGPSQJ-GOSISDBHSA-N 342.374 1.835 0 40 EDAB Cc1nnc(CNC(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)o1 253400568 LJSMLAUBCLVDDF-SNVBAGLBSA-N 338.751 1.524 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2nnc(C(C)C)o2)n1 257218171 DCDGLGNMRAEOTL-LBPRGKRZSA-N 333.392 1.757 0 40 EDAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N(C)Cc1nncn1C 585083410 OHNYFAABLIYVOH-UHFFFAOYSA-N 345.794 1.630 0 40 EDAB CO[C@H]1CN(S(=O)(=O)c2ccccc2F)CC[C@@]12CCCO2 257224303 FBFGUEMRDUJVKK-GJZGRUSLSA-N 329.393 1.784 0 40 EDAB Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1ccc(F)nc1F 585114987 ICBSIIYGPDIMHR-ZETCQYMHSA-N 331.344 1.874 0 40 EDAB CC[C@H]1NC(=O)N(C[C@H](O)COc2ccc(CCC(C)=O)cc2)C1=O 585138183 TVPLWTVTLUYFHW-GOEBONIOSA-N 348.399 1.278 0 40 EDAB C[C@H]1CN(C(=O)c2coc(Sc3ncccn3)n2)[C@H](C)CN1C 585135585 RISXQXSDVCRQMQ-WDEREUQCSA-N 333.417 1.780 0 40 EDAB COC(=O)[C@H]1CN(Cc2cnc(N(C)C)n2C)c2ccc(F)cc2O1 585116832 JTBMEZAHZHGJEO-OAHLLOKOSA-N 348.378 1.566 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@H](Oc4nccc(C)n4)CCO3)C2)on1 253478234 JYHFPHXUQITPPH-CYBMUJFWSA-N 344.371 1.534 0 40 EDAB Cc1csc(=O)n1CCC(=O)Nc1cnn(C[C@H]2CCCO2)c1 43282925 NUXMWNXLAGSGSV-CYBMUJFWSA-N 336.417 1.623 0 40 EDAB Cc1cc(O)nc(N2CCC(NC(=O)NCc3ccccc3)CC2)n1 253537676 GTOFINSFUFTSEP-UHFFFAOYSA-N 341.415 1.959 0 40 EDAB O=C(c1ccnc(N2CCCC2)c1)N1CC[C@](O)(CN2CCCC2)C1 257284677 PDTXEBNVSDIDNR-IBGZPJMESA-N 344.459 1.355 0 40 EDAB CC(C)n1nccc1-c1cc(C[C@H]2CCN(S(C)(=O)=O)C2)ncn1 257298421 RLNCPYJPEHWIPZ-CYBMUJFWSA-N 349.460 1.745 0 40 EDAB CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2cnc(O)nc2O)nc1 257248805 JFHAZURECWCLCV-AWEZNQCLSA-N 343.387 1.322 0 40 EDAB Cc1cnc([C@H]2CN(Cc3ccc(OCC(=O)O)cc3)CCO2)cn1 257212149 CCCWLSWSLINJCT-QGZVFWFLSA-N 343.383 1.822 0 40 EDAB COC[C@@](C)(NC(=O)c1cncc(-n2ccnn2)c1)c1ccccc1 252495817 PBMXYJHGCDKMRB-GOSISDBHSA-N 337.383 1.954 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(C(=O)c3ccno3)CCO2)ccn1 257325796 WULOSQBNNITESE-AWEZNQCLSA-N 330.388 1.609 0 40 EDAB CC[C@H](C(=O)O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 263581111 WSYVFQXYRCVRHP-MRXNPFEDSA-N 334.416 1.690 0 40 EDAB COC(=O)[C@@H]1CCn2c(nnc2C(=O)NCc2ccc(Cl)cc2)C1 601044235 KVRUNIFOYSBCTH-LLVKDONJSA-N 348.790 1.597 0 40 EDAB Cc1nonc1CC(=O)NCCC1CCN(c2ccncc2)CC1 1615050963 QPJGEFBXQAXHFW-UHFFFAOYSA-N 329.404 1.738 0 40 EDAB CCn1nc(C)c(CNC(=O)[C@@]2(N)CCc3c(OC)cccc32)n1 1615554042 PJFJREQRTLRAHC-QGZVFWFLSA-N 329.404 1.032 0 40 EDAB CCN1CCC(N2CCOC[C@@](O)(COc3ccccc3C)C2)CC1 585279340 YDZJOHXWFNDSNU-HXUWFJFHSA-N 348.487 1.921 0 40 EDAB CC(C)C(=O)N1CCn2cc(C(=O)NCc3cccnc3)nc2[C@@H]1C 585096291 GBAHJIHGRPZWSL-ZDUSSCGKSA-N 341.415 1.767 0 40 EDAB Cc1cccc(C[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]2O)c1 585279401 LRPIEDNIEQLKEC-QZTJIDSGSA-N 332.444 1.079 0 40 EDAB O=C(c1cc[nH]c1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 585108776 BXEYAHNWQSSVRO-YESZJQIVSA-N 327.384 1.999 0 40 EDAB O=C(c1cc(F)cc(F)c1)N1CC2(C[C@@H](CO)CN2CC2CC2)C1 585093990 XDJYPXBRMOOJTR-CYBMUJFWSA-N 336.382 1.884 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C(N)=O)C1 69594091 PNYJLBVAMHXIIO-VXGBXAGGSA-N 325.409 1.110 0 40 EDAB Cc1nc(-c2ccc(I)cc2)nn1CC(N)=O 72296520 WVPUKKXXMMSRFL-UHFFFAOYSA-N 342.140 1.343 0 40 EDAB COC(=O)c1ccccc1C(=O)N1CCC(Oc2ncccn2)CC1 90677501 XYQHINVHMGSZJQ-UHFFFAOYSA-N 341.367 1.947 0 40 EDAB N[C@@H]1CCN(c2cccc(CNC(=O)c3ncoc3C3CC3)n2)C1 1615550638 YNHPTZKEBXLZKK-GFCCVEGCSA-N 327.388 1.414 0 40 EDAB Cc1cc(N2CCC[C@@H](NC(=O)NCc3cnccn3)C2)nc(C)n1 1615614831 LGJIPNZKHOEVEK-CQSZACIVSA-N 341.419 1.352 0 40 EDAB O=S(=O)(Cc1ccccc1)NCC1CCN(c2ncccn2)CC1 5001938 QGPBLBHLXVLJDE-UHFFFAOYSA-N 346.456 1.813 0 40 EDAB C[C@@H](NC(=O)C1Oc2ccccc2O1)c1nc(-c2cccnc2)n[nH]1 12191788 CGDZVBKPASDTTH-SNVBAGLBSA-N 337.339 1.841 0 40 EDAB Cc1ccc2c(c1)cc(C(=O)N1CCO[C@](C)(C(=O)N(C)C)C1)n2C 19746807 HWNYJBWHAQCDQB-IBGZPJMESA-N 343.427 1.806 0 40 EDAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)[C@@H]1CCOC1 245053593 PBXQKAUKUKKECV-SNVBAGLBSA-N 344.337 1.617 0 40 EDAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)NC(C)C)CC2)cc1 21151050 IHNGVPIGLGDQIZ-UHFFFAOYSA-N 343.435 1.206 0 40 EDAB CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)CCc2ccncc2)C1 585131077 KQRLQKVVNKLSBT-CQSZACIVSA-N 342.399 1.930 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC(n2nnc3ccsc3c2=O)CC1 390829819 GVFJLXLNXYLXHL-LBPRGKRZSA-N 334.401 1.196 0 40 EDAB Cc1ccc(N2C[C@H]3CN(Cc4nc(C(C)C)no4)C[C@@H]3C2)nn1 1888856809 HWZKDPBTHYKKGQ-ZIAGYGMSSA-N 328.420 1.860 0 40 EDAB CC[C@@H]1CN(C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CCO1 30854024 BBSXEKKCDVZYKN-CYBMUJFWSA-N 345.374 1.931 0 40 EDAB COC(=O)c1c(C)nn2c1ncc1c(=O)n(C(C)(C)OC)ccc12 2033970403 RDNSWXOVUQGSDM-UHFFFAOYSA-N 330.344 1.478 0 40 EDAB O=C(NCC1CC1)[C@H]1C[C@@]12CCN(C(=O)Cc1ccc(F)cn1)C2 1565547160 LLVXQERTUZZJBW-CRAIPNDOSA-N 331.391 1.528 0 40 EDAB CC1CC(C(=O)N2CCO[C@]3(C2)C(=O)N(C)C[C@@H]3c2ccccc2)C1 1565553446 ZAWQJMFNZNMYGL-ZCQYEXLDSA-N 342.439 1.886 0 40 EDAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n(C)n1 12443966 QKDSEPRTZZHHAL-UHFFFAOYSA-N 348.428 1.765 0 40 EDAB O=C(NC1CCCC1)[C@@H]1CCc2c(C(=O)N3CC(F)C3)ncn2C1 2055716098 ZCQPDIKMPACTEO-LLVKDONJSA-N 334.395 1.298 0 40 EDAB CN(CC(=O)N1CCS[C@H](c2ccco2)CC1)S(C)(=O)=O 219404265 CDVZLOKOSQOKJV-LBPRGKRZSA-N 332.447 1.178 0 40 EDAB Cc1cc2nc(C3CCN(Cc4cnc(N)nc4)CC3)cc(N)n2n1 12121591 KAESCPYVLUVIJC-UHFFFAOYSA-N 338.419 1.372 0 40 EDAB O=C(NCc1ccccc1)C(=O)NC[C@@]1(O)CCc2ccccc2C1 85560425 WESNZVCNSSPSCA-HXUWFJFHSA-N 338.407 1.339 0 40 EDAB CCC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 20567850 DKYKUHONWAMQIF-ZDUSSCGKSA-N 327.450 1.604 0 40 EDAB O=S(=O)(NCc1ccc(Cn2cccn2)cc1)N1CCCCC1 30008272 XLPOYQKVBUHSLV-UHFFFAOYSA-N 334.445 1.752 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@@H]2c2cc(C)on2)ccc1=O 31160649 WSVXFMWODVPAHL-CQSZACIVSA-N 332.360 1.163 0 40 EDAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(c2cnccn2)CC1 40487855 CBDGVSPXRYAECI-UHFFFAOYSA-N 335.371 1.020 0 40 EDAB COc1ccccc1C(=O)Nc1ccc(NCCOCCO)nc1 20380685 JRPSPWAHTGCISX-UHFFFAOYSA-N 331.372 1.763 0 40 EDAB CN(C(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 31610553 FWJAOCXPIJWKAQ-LBPRGKRZSA-N 325.386 1.107 0 40 EDAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 31613363 GODSVNQDOCPYAW-LERXQTSPSA-N 336.413 1.198 0 40 EDAB Nc1nccnc1C(=O)NCCNc1ncccc1C(F)(F)F 40555192 AYDDSXMJPCLPKA-UHFFFAOYSA-N 326.282 1.315 0 40 EDAB COc1ccccc1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 31941713 VQKKVXUQZYMYMB-KRWDZBQOSA-N 336.457 1.633 0 40 EDAB COc1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(C(C)C)C2=O)cc1 51381962 AMDWPZZESOSZLL-PXAZEXFGSA-N 336.388 1.401 0 40 EDAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2 101121822 XBLTXUXYZLKLNF-PKFCDNJMSA-N 339.369 1.084 0 40 EDAB CCN1C(=O)C[C@H](N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1=O 101332801 MNAZTOOFFVMJIP-INIZCTEOSA-N 347.390 1.298 0 40 EDAB CCOCCN1CCN(CC(=O)N2CCc3ccccc32)C[C@@H]1C 70008356 XIJATSZYFNRUNE-INIZCTEOSA-N 331.460 1.618 0 40 EDAB COc1ccc(CNC(=O)Cn2c(=O)oc3ccccc32)cc1OC 2625369 UYELGGKIEQGAPW-UHFFFAOYSA-N 342.351 1.928 0 40 EDAB Cc1cc(C(=O)O[C@@H]2CCCCC2=O)cc(S(N)(=O)=O)c1C 21484799 YCYKFBVUPOWLJB-CYBMUJFWSA-N 325.386 1.619 0 40 EDAB CCc1nnc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)s1 6881272 MYCTZCZRNFRIBJ-UHFFFAOYSA-N 337.405 1.294 0 40 EDAB Cc1ccc(OCCN2CCN(CCn3ccccc3=O)CC2)cc1 84157215 WGWLGJCHWPPKNN-UHFFFAOYSA-N 341.455 1.853 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)c3cc(C)n[nH]3)CC2)C1=O 108528800 VKVBPMHLEOIRQH-KRWDZBQOSA-N 334.420 1.209 0 40 EDAB C=Cn1nnc(NC(=O)c2cccc(I)c2)n1 10119542 AEZGRBLTOPNIPD-UHFFFAOYSA-N 341.112 1.631 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Br)c[nH]2)C1 76019623 IQJYWKJLSBXATM-VHSXEESVSA-N 349.250 1.863 0 40 EDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2cccc(F)c2)C(=O)N1 10385048 DCCYDGDAMSEEDO-RYUDHWBXSA-N 340.376 1.318 0 40 EDAB COc1ccc(S(=O)(=O)N2CCOC(=O)C2(C)C)c(OC)c1 12193308 NJJBEWKSFZVCKV-UHFFFAOYSA-N 329.374 1.030 0 40 EDAB C[C@@H](NC(=O)N1CCN(Cc2cccs2)CC1)c1nncn1C 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40 EDAB O=C1CN(C(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CCN1 12919543 MDXLKFRHPKXTKI-GOSISDBHSA-N 348.406 1.952 0 40 EDAB O=C(CN1CCOCC1)Nc1ccnn1Cc1ccccc1Cl 12924762 KYNGLOQNBASBGR-UHFFFAOYSA-N 334.807 1.856 0 40 EDAB CC(C)NC(=O)NC(=O)COc1ccc(Br)cc1CO 12909560 YNYUFLBAGIKAQD-UHFFFAOYSA-N 345.193 1.554 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)NCc1ccc2c(c1)OCO2 12974110 DYQVKGHCYGJKGW-UHFFFAOYSA-N 333.365 1.749 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccco1 13038384 SLHAHNOWUYYEPV-KRWDZBQOSA-N 326.308 1.692 0 40 EDAB CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 13152416 UNDBYZRBSMNMOO-UHFFFAOYSA-N 330.413 1.974 0 40 EDAB O=C(c1cnc2nc(CCCO)nn2c1)c1cc(Cl)ccc1O 8429008 WWPNEGRCQGMVQG-UHFFFAOYSA-N 332.747 1.639 0 40 EDAB O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccco1 13692058 QLCFYFHPZKRKMU-UHFFFAOYSA-N 335.323 1.632 0 40 EDAB COC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3ccc(C)c(C)c3)C2=O)C1 5068463 KIPKSHMFCILGTA-MRXNPFEDSA-N 344.327 1.222 0 40 EDAB CCOC(=O)c1sc(NC(=O)Cn2c(C)csc2=O)nc1C 17365180 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40 EDAB COC(=O)/C=C/c1cc(S(=O)(=O)N2CCCC2)ccc1OC 15108716 AKWVUZGBYXRUFI-VMPITWQZSA-N 325.386 1.666 0 40 EDAB CCOC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 7141048 FGMDVETXPIFXSH-UHFFFAOYSA-N 348.808 1.929 0 40 EDAB COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)N(C)C)C2=O)cc1 7411269 XDZAXWNDZVSSGW-QGZVFWFLSA-N 333.388 1.027 0 40 EDAB C[C@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccc(F)cc1F 7458996 LGRNVGKLSOQYSM-JTQLQIEISA-N 325.359 1.339 0 40 EDAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)C[C@H]1SC(=O)NC1=O 9058703 NBRIJELLFJSJHR-GFCCVEGCSA-N 345.380 1.228 0 40 EDAB CCc1cnc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)s1 81232860 GXEXYEPNDIEFCP-OCCSQVGLSA-N 347.444 1.987 0 40 EDAB COCCn1nc(C(=O)NCC(C)(C)c2cccc(C)c2)ccc1=O 68822845 ONTZVXQCCFSXDS-UHFFFAOYSA-N 343.427 1.906 0 40 EDAB CNC(=O)NC(=O)[C@H](C)NCC1(c2ccc(C)cc2)CCOCC1 68950913 AWXXFILGDQFIBM-AWEZNQCLSA-N 333.432 1.477 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@@H]1CCOC1 96009935 WOEGJPBRVHRHCN-BXUZGUMPSA-N 329.466 1.859 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)NCCc1cccc2ccccc12 97032326 VLUJBSNJSCRVLI-UHFFFAOYSA-N 334.441 1.780 0 40 EDAB Cn1cc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c2ccccc21 72269537 PMTVNJPGURZTQZ-OALUTQOASA-N 341.455 1.778 0 40 EDAB O=C(CNC(=O)NCc1ccco1)Nc1ccc(-c2nc[nH]n2)cc1 72277603 WZDWBWAFUVIYJK-UHFFFAOYSA-N 340.343 1.503 0 40 EDAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@@H](N2CCNC2=O)C1 71830598 RATYHPTXDADYCZ-GFCCVEGCSA-N 340.383 1.158 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)NC2(C(=O)O)CCCCC2)C1=O 71802795 VUIRJTYYVHQCRZ-LBPRGKRZSA-N 346.383 1.704 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCCCCC1 71833238 QCFWRMUUYSCDPV-HNNXBMFYSA-N 337.445 1.019 0 40 EDAB CN([C@H]1CCCN(c2cccnn2)C1)[C@H](C(N)=O)c1ccc(F)cc1 71859743 HQICCNTZSRBZKT-RDJZCZTQSA-N 343.406 1.743 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H](c2ccccc2)O1 71827198 AQWNOZUABOWUTI-UNEWFSDZSA-N 328.412 1.986 0 40 EDAB Cc1nc2cc(C(=O)N(CCN(C)C)CCN(C)C)ccc2n1C 71847794 QWJQGBZVZKYZCN-UHFFFAOYSA-N 331.464 1.447 0 40 EDAB COCc1cccc(CN2C(=O)C[C@@H](C(=O)O)[C@H]2c2cnn(C)c2)c1 72275755 ULAHIGLXQTXCNS-NVXWUHKLSA-N 343.383 1.741 0 40 EDAB C1C[C@@H](NCc2nc(C3CC3)no2)CN(Cc2noc(C3CC3)n2)C1 72234616 MRUQEBHGQDIQCD-CYBMUJFWSA-N 344.419 1.962 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)C2)no1 72231770 DYWBJYKUHVOTIJ-PWSUYJOCSA-N 329.422 1.296 0 40 EDAB COc1ccc(CCNC(=O)C(=O)Nc2ccncc2)cc1OC 9858881 SHQXDNHVGMWHQU-UHFFFAOYSA-N 329.356 1.396 0 40 EDAB O=C1CCC(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 72306908 FCWZDAQHDUIADJ-SFHVURJKSA-N 330.428 1.935 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CC[C@H](N(C)Cc3noc(C)n3)C2)no1 78891085 NOBPLNIJBBQXPP-AAEUAGOBSA-N 348.407 1.208 0 40 EDAB C[C@@H](C(=O)N[C@H](c1ccc(F)cc1)c1ccccn1)S(C)(=O)=O 95396366 ZOFUTYXCTSFZCQ-XHDPSFHLSA-N 336.388 1.859 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 84752969 JBQVZKSCARMUGG-ROUUACIJSA-N 329.444 1.778 0 40 EDAB CCC(=O)N1CCC[C@H](C(=O)NCCOc2ccc(C(=O)O)cc2)C1 95464495 QIWZPVRKZMNVAR-AWEZNQCLSA-N 348.399 1.528 0 40 EDAB O=c1c2ccccc2ncn1CC[S@](=O)Cc1nc(C2CC2)no1 95419052 OOMRFOCALKYJQV-XMMPIXPASA-N 344.396 1.606 0 40 EDAB O=C(c1cc(F)ccc1-n1cnnn1)N1CC[C@]2(O)CCCC[C@H]2C1 95480410 RJWQAWNDZDVINI-YVEFUNNKSA-N 345.378 1.569 0 40 EDAB O=C(NCCc1cn2c(n1)CCCC2)c1cccc(-n2ccnn2)c1 95439330 OGXBUIBVHJJOBH-UHFFFAOYSA-N 336.399 1.773 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)C1CCCCC1 408618250 DTZVOOKVWKBPFB-UHFFFAOYSA-N 340.445 1.812 0 40 EDAB COc1ccc(S(=O)(=O)N(C)C[C@@H](C)c2nnn[nH]2)c(C)c1C 95941938 GRVXYNGTOVHXIC-SECBINFHSA-N 339.421 1.249 0 40 EDAB CCn1nnnc1-c1cccc(NC(=O)N(C)CCCN(C)C)c1 95996552 LHNIHNZBCZFQSC-UHFFFAOYSA-N 331.424 1.775 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)N1CCC[C@@H]1CN1CCOCC1 74534807 XVKIOHAUTTZBMF-MRXNPFEDSA-N 349.479 1.545 0 40 EDAB O=C(C1CC1)N1C[C@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 306124521 BSOBFXLRBCAVJX-DLBZAZTESA-N 336.395 1.701 0 40 EDAB CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)CC[C@@H]2CCCO2)c1 75144291 ZVYGCXSNPAIUKL-NSHDSACASA-N 344.408 1.974 0 40 EDAB Cc1noc(COCC(=O)N2C[C@H]3CCCN3Cc3ccccc32)n1 89721183 FIZGSCKBAXGZFH-OAHLLOKOSA-N 342.399 1.906 0 40 EDAB O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 75572255 CWEHFKKOOMNKQM-JTQLQIEISA-N 339.291 1.823 0 40 EDAB CCCCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20487501 JCBZKQGMVKNIOX-CQSZACIVSA-N 326.418 1.520 0 40 EDAB N#Cc1cccc(CN(CC(=O)O)S(=O)(=O)c2cncc(F)c2)c1 547598446 WPDBSOUYXBKISE-UHFFFAOYSA-N 349.343 1.368 0 40 EDAB O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 72368747 LQQVRMAOGCUUIE-NSHDSACASA-N 331.401 1.854 0 40 EDAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](c2cccc(F)c2)C1(CO)CO 218454384 UDLBLHILERCRLJ-JKSUJKDBSA-N 336.384 1.736 0 40 EDAB COc1ccc2nnc(CCC(=O)Nc3nnc(C(C)C)s3)n2n1 72402456 HPBSARQCVGRXRQ-UHFFFAOYSA-N 347.404 1.679 0 40 EDAB Cc1nc(CCC(N)=O)cc([C@@H]2CCCN2C(=O)c2ccncc2)n1 72367131 MSWMQQZHAXQBMU-INIZCTEOSA-N 339.399 1.575 0 40 EDAB Cc1c(Cl)c(C(=O)N2CCC[C@@]3(CC2)CN(C)C(=O)O3)nn1C 72122277 MTWASTHWACSEQK-OAHLLOKOSA-N 340.811 1.829 0 40 EDAB Cc1cc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc(C(=O)O)c1 507570259 SKUQNSAZPIBPSY-UHFFFAOYSA-N 348.380 1.901 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](CNC(=O)OC[C@H]2CCCO2)[C@@H](O)C1 521394199 RDXQZCMOSHXOCZ-XQQFMLRXSA-N 344.408 1.119 0 40 EDAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 218601748 GYOCTJNJWBUSNI-FGTMMUONSA-N 330.453 1.845 0 40 EDAB CCn1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)n1 72241526 JBDLPNIXEBVTGD-JKSUJKDBSA-N 346.362 1.579 0 40 EDAB O=S(=O)(NC[C@]1(O)CCCc2occc21)c1ccc2c(c1)CCO2 1565523326 KODXZWCDDGAWJL-QGZVFWFLSA-N 349.408 1.717 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(N[C@@H](C)COC)c(C(=O)O)c1 217562783 LUCUMSPKGPJKOI-MNOVXSKESA-N 344.433 1.908 0 40 EDAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(Cc2nccn2C)CC3)C1 72389580 CBKAGMWFQYOLEB-CYBMUJFWSA-N 342.447 1.298 0 40 EDAB CS(=O)(=O)CCN1CCN(c2ccc(Br)cn2)CC1 44917974 QVWBYPSIRUHKDN-UHFFFAOYSA-N 348.266 1.011 0 40 EDAB COCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 47156246 WGTLZCYOALRFJQ-UHFFFAOYSA-N 334.397 1.864 0 40 EDAB CNS(=O)(=O)CC(=O)NC(C)(C)c1ccc(Br)cc1 83599219 VHXMUYFSPUJXID-UHFFFAOYSA-N 349.250 1.350 0 40 EDAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CCCC(=O)c1ccccc1 225632492 KTELOYFRGMGVCM-GJZGRUSLSA-N 333.384 1.829 0 40 EDAB Cc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c(C)c1 44791204 QIHUPYSUVLXGCG-CQSZACIVSA-N 340.445 1.365 0 40 EDAB O=C1CC[C@H](N=c2nc(C3CCCC3)[nH]s2)[C@H]([C@@H]2CCCO2)N1 572591707 OGIKIWVGFJDQPH-SGMGOOAPSA-N 336.461 1.856 0 40 EDAB CSc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)s1 224514556 JDLRBJGJKVHQGQ-UHFFFAOYSA-N 344.443 1.884 0 40 EDAB CN(C(=O)Cn1ccnc1S(C)(=O)=O)[C@H]1CCCc2ccccc21 81272450 PBUOWTUDIAEYFX-HNNXBMFYSA-N 347.440 1.823 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(Cc1ccccc1F)C2)N1CCOCC1 96205964 IBNCXARFIYWBSM-APWZRJJASA-N 348.418 1.523 0 40 EDAB CCc1cnc(N2CC[C@@]3(CCCN(CC(=O)N(C)C)C3)C2)nc1 96215333 DGPJDSVBCUPMHI-GOSISDBHSA-N 331.464 1.420 0 40 EDAB O=C1[C@@H]2CCN(Cc3ccoc3)C[C@@H]2OCCN1Cc1cccnc1 96107097 DPRGXFVPQVWRQI-MSOLQXFVSA-N 341.411 1.924 0 40 EDAB c1cnc(N2CCOCC3(CCN(Cc4ccc[nH]4)CC3)C2)nc1 96239999 CMVKVIPZUOPJLE-UHFFFAOYSA-N 327.432 1.924 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cn[nH]c2C)C1 96426813 ZNJZZOAIPQDTEO-NSHDSACASA-N 346.353 1.981 0 40 EDAB O=C(c1ccncc1C(F)(F)F)N1CC[C@@H]2OCC(O)=N[C@H]2C1 330033041 VTJFPMMTVHGBBE-QWRGUYRKSA-N 329.278 1.670 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccoc2)Cc2ncn(C)c21 96044865 DEAAJXLOOBPNGL-CQSZACIVSA-N 332.404 1.217 0 40 EDAB O=C(NC1CC1)[C@H]1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@@H]2O1 97953832 MAIQFNDSFCTYTQ-VHSSKADRSA-N 344.411 1.673 0 40 EDAB Cc1c(C(=O)NC[C@@H](O)c2cnn(C)c2)c(=O)oc2ccccc12 96461232 GVXOBAIQORVYGP-CYBMUJFWSA-N 327.340 1.298 0 40 EDAB CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21 96064446 HSDMFVXDPJJWKC-PMPSAXMXSA-N 342.399 1.628 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1cccnc1N1CCCCC1)CC2 97198399 JRKXBNSXBGCVOE-CQSZACIVSA-N 340.431 1.717 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1ccccc1 96200823 YCYPWLRIWNRXDW-CABCVRRESA-N 348.424 1.655 0 40 EDAB CN(Cc1ccco1)Cc1cncc2c1CCN(S(C)(=O)=O)C2 96189522 ARKQLFWPUNTIOJ-UHFFFAOYSA-N 335.429 1.624 0 40 EDAB Cc1noc(C)c1C(=O)N1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 96225539 XRCIYNUSLCPEIP-QGZVFWFLSA-N 348.403 1.519 0 40 EDAB CN(C)c1nccc(N2CCN(CCC(=O)c3ccccc3)CC2)n1 96495522 AYIAZYKEGYEMCR-UHFFFAOYSA-N 339.443 1.938 0 40 EDAB O=C(CCCn1cnnn1)NCc1cc(Cl)cc2c1OCOC2 524732965 GLSZCKSAVYBKJR-UHFFFAOYSA-N 337.767 1.290 0 40 EDAB CNC(=O)[C@H]1C[C@@H]2CN(Cc3cccnc3OC)C[C@@H]2N1C(C)C 96182647 VTZJOTKADDYJCE-OAGGEKHMSA-N 332.448 1.119 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21)c1ccccc1 247448378 ZBQAKBQYBHEMFG-FVQBIDKESA-N 342.374 1.497 0 40 EDAB COCC(=O)N1CC2(C1)OCC[C@H]2CCOCc1cccc(C)n1 247889775 UXMJWOSSKQBBAG-OAHLLOKOSA-N 334.416 1.561 0 40 EDAB Cc1ncoc1C(=O)N1CC2(C[C@H](COCC3CC3)CCN2C)C1 248124890 LJFMBTHREBYAGI-OAHLLOKOSA-N 333.432 1.946 0 40 EDAB Cc1cc(N(C)C)nc([C@H]2COCCN2C(=O)c2cscn2)n1 257327326 XAYLICADUXJOBL-GFCCVEGCSA-N 333.417 1.521 0 40 EDAB COc1ccnc(N2CC(N3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 585138748 QQCWPNFJFCPOIL-UHFFFAOYSA-N 349.435 1.227 0 40 EDAB Cc1noc(C)c1CCC(=O)NC[C@@]1(O)CCN(c2ccccn2)C1 257256119 KKEBBAIKARTKGQ-SFHVURJKSA-N 344.415 1.377 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 257334927 YHXBSPBKEVEHHB-AWEZNQCLSA-N 343.435 1.371 0 40 EDAB Cc1nc([C@]2(C)CCCN(C3CCOCC3)C2)nc2c1CC(=O)N2C 257311281 UITPSJBFCYURAY-LJQANCHMSA-N 344.459 1.836 0 40 EDAB O=C(CN1CCCC[C@@H]1c1cc(O)n2nccc2n1)N1CCCC1 257309347 UAPFWYAPMWJRPQ-CQSZACIVSA-N 329.404 1.584 0 40 EDAB O=C(N1CCCC1)[C@]1(c2cnccn2)CCCN1Cc1ncc[nH]1 257220963 DMYXJWZUSDFWKX-QGZVFWFLSA-N 326.404 1.313 0 40 EDAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257336575 YPAYWXQFMWUZKT-RDJZCZTQSA-N 328.372 1.228 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)c3ccncn3)CC2)cn1 257263720 LRDSLBCMRIHLBU-UHFFFAOYSA-N 340.431 1.423 0 40 EDAB CN(C)c1ccc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c(F)c1 269699474 IPQMGBCVKUSHDX-LLVKDONJSA-N 343.424 1.046 0 40 EDAB OCCC1(CNC[C@@H](O)COc2ccc(F)cc2)CCOCC1 1615045887 KPMRLPALMXZYGS-OAHLLOKOSA-N 327.396 1.334 0 40 EDAB NC(=O)[C@@]1(O)CCN(C(=O)NC2CCC(c3ccc(F)cc3)CC2)C1 1615057622 VDOLODOONYZQJP-LEHRNKBSSA-N 349.406 1.484 0 40 EDAB C[C@@H](NC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)c1cccc(O)c1 292211470 HKNXUYLOMPGNAL-VXGBXAGGSA-N 326.418 1.529 0 40 EDAB CC(C)CN1CCC[C@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 585100618 QGJQULHZGFFOKU-INIZCTEOSA-N 330.494 1.534 0 40 EDAB CC(=O)N1CCO[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585284261 HRUADVOLKCKZON-HNNXBMFYSA-N 326.780 1.212 0 40 EDAB CC(=O)N1CCC(N2CCO[C@](CO)(Cc3cccc(C)c3)C2)CC1 585275789 AGSLBQPVNUGZQF-HXUWFJFHSA-N 346.471 1.612 0 40 EDAB Cc1c(CN2CCn3c(COCC4CC4)nnc3[C@@H]2C)cnn1C 585098325 WFWMAXDZTFKXSH-ZDUSSCGKSA-N 330.436 1.823 0 40 EDAB O=C1CCCN1CCC(=O)N1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 585277959 YITXWORSSNCKPL-NVXWUHKLSA-N 348.418 1.590 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 52538155 GBXWYTLZTIRSOO-HNNXBMFYSA-N 347.440 1.748 0 40 EDAB COc1cccc(NC(=O)NCCS(=O)(=O)NCC2CCC2)c1 69032283 AAONXAGGZIBPIA-UHFFFAOYSA-N 341.433 1.536 0 40 EDAB Cn1ccc(NC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)n1 84321646 AIZOKXVHWBBLKY-UHFFFAOYSA-N 333.314 1.343 0 40 EDAB Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccc(C(F)(F)F)nc21 84310325 XTDMSFCRENDFHW-QMMMGPOBSA-N 329.278 1.293 0 40 EDAB O=C1CCCN1[C@@H](CNS(=O)(=O)C1CC1)Cc1cccc(F)c1 85467502 NSNKHFLUTYMWSV-CQSZACIVSA-N 340.420 1.441 0 40 EDAB CN(CCOc1cccc(F)c1)[C@H]1CCN(C2CCOCC2)C1=O 98016345 KWTRBUGTSCUDQG-KRWDZBQOSA-N 336.407 1.916 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CC(c3ccc(F)cc3)=NO2)CC1 5030001 NCNSSDSKVSYSAV-HNNXBMFYSA-N 349.362 1.619 0 40 EDAB aggregator CCOCCCNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580455 UGDKYVHCJVLQJG-UHFFFAOYSA-N 340.445 1.555 0 40 EDAB O=C(C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CCCC1 14111395 GABQVZOWYLKLCL-UHFFFAOYSA-N 347.440 1.470 0 40 EDAB Cc1nnsc1C(=O)NCC1CCN([C@H]2CCSC2)CC1 225567389 GWEATCAVKGCWII-LBPRGKRZSA-N 326.491 1.794 0 40 EDAB CCc1nnc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)s1 5388247 UFRIHPJJRBEZFN-UHFFFAOYSA-N 341.396 1.963 0 40 EDAB CCCn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)n[nH]c1=O 9588516 HVBKDEUXFRYKJY-UHFFFAOYSA-N 348.384 1.287 0 40 EDAB O=C1[C@@H]2CN(c3ccn4nccc4n3)C[C@@H]2C(=O)N1Cc1ccccc1 1888888305 CYBFLJINSDABLK-GASCZTMLSA-N 347.378 1.351 0 40 EDAB O=C([C@H]1CN(Cc2ccc3ccccc3c2)CCO1)N1CCOCC1 1888921656 NXNCOJCELLXOCI-LJQANCHMSA-N 340.423 1.899 0 40 EDAB Cc1nc(N2CCO[C@@H](C(=O)N3CCCC3)C2)cc(C(F)(F)F)n1 1889095564 ZNIZJIKONJBHQT-LLVKDONJSA-N 344.337 1.631 0 40 EDAB O=C(c1ccc2ccccc2n1)N1CC[C@@](O)(CN2CCCC2)C1 1848352028 BODZPUAOHTXEKT-LJQANCHMSA-N 325.412 1.908 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)NCc1cccnc1N1CCOCC1 30310650 UCEMLSAQTSXZIJ-UHFFFAOYSA-N 349.822 1.544 0 40 EDAB Fc1cnc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)nc1 1776009020 RGDFIEGRXSIDPL-UHFFFAOYSA-N 337.362 1.794 0 40 EDAB O=C(c1csnn1)N1CCN2CCc3c(ncn3CC3CC3)[C@@H]2C1 1565549966 LJFRLSCRRGQWKX-AWEZNQCLSA-N 344.444 1.200 0 40 EDAB O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1cccc(F)c1 4941319 BFZAZOHLBXSPOX-AWEZNQCLSA-N 336.363 1.956 0 40 EDAB CN1CC2(CN(C(=O)c3ccc4c(ccn4C)c3)C2)c2nccnc21 2055794330 KIVGACWSEIXNCM-UHFFFAOYSA-N 333.395 1.812 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)COc2ccc(CC)cc2)CC1 19809497 WZCSXHKMKAARFQ-INIZCTEOSA-N 336.432 1.763 0 40 EDAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 34406 FLJHGZDAZQSIIU-VIFPVBQESA-N 327.387 1.319 0 40 EDAB Cc1nnc(CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)o1 40493381 HDELWUVQBQUQMX-MRXNPFEDSA-N 326.400 1.927 0 40 EDAB O=C(COc1ccccc1C(F)(F)F)N[C@@H]1CCS(=O)(=O)C1 40477441 DWGDDMLFWDXCDF-SECBINFHSA-N 337.319 1.388 0 40 EDAB CCN(C(=O)Cc1cccc(Br)c1)[C@H]1CC(=O)NC1=O 100667159 OFXXAQCLDJTBSH-NSHDSACASA-N 339.189 1.255 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccco3)cn2)CCO1 40539896 SFZUQNQDVGDDFM-CYBMUJFWSA-N 330.388 1.899 0 40 EDAB N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 11754307 YNGWGMGGEBSKKT-HNNXBMFYSA-N 327.384 1.134 0 40 EDAB Cc1nc(C)c2c(C)c(C(=O)N3CCC(C(N)=O)CC3)sc2n1 29567609 ANINUPWDLNXQGP-UHFFFAOYSA-N 332.429 1.954 0 40 EDAB CCc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2noc(C)n2)cc1 46159422 AIUVYBXRVOWNIX-JTQLQIEISA-N 337.401 1.882 0 40 EDAB C[C@@H](C(=O)c1ccc(F)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 8012058 IFKPZENNGWTUOX-VIFPVBQESA-N 330.319 1.017 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 32923700 JSAIVFWBYVKTNW-SECBINFHSA-N 338.355 1.261 0 40 EDAB Cc1nnc(N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c(C(N)=O)c1C 69847239 IFBABVCOMZZPNO-CQSZACIVSA-N 343.431 1.197 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)N(C)Cc1ccc2c(c1)OCO2 46486328 QVSXCDAYRNVVMX-ZDUSSCGKSA-N 335.404 1.277 0 40 EDAB CC[C@@H](C)NC(=O)COc1ccc(N(CC)S(C)(=O)=O)cc1 10009951 ZSOOSUJRACOYHD-GFCCVEGCSA-N 328.434 1.766 0 40 EDAB COCCN1CCC[C@H](NC(=O)NCc2sc(C)nc2C)C1 76088524 DUWLDSAOILCGCZ-ZDUSSCGKSA-N 326.466 1.670 0 40 EDAB Cn1c(SC2Cc3ccccc3C2)nnc1[C@@H]1CCS(=O)(=O)C1 69816518 OBWAOXAJNBNFJR-CYBMUJFWSA-N 349.481 1.977 0 40 EDAB Cc1cc(CN2CCN(CC(=O)N3CCc4ccccc43)CC2)on1 22251029 MRPVLRDUNRUXRV-UHFFFAOYSA-N 340.427 1.690 0 40 EDAB CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCCOC3)ccc2c1=O 103469624 YGYHATUZCKNVTI-NSHDSACASA-N 347.440 1.862 0 40 EDAB Cc1cc(C)n(C2CN([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)n1 69948365 QMQIVTVVNGGHDU-LLVKDONJSA-N 347.444 1.544 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@H]2Cn2cccn2)CN1C1CCCC1 69951940 KAXXHNYAGXCGFE-ZBFHGGJFSA-N 330.432 1.665 0 40 EDAB CCCCNC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22773162 JISDAXNKHWAOEE-UHFFFAOYSA-N 333.432 1.449 0 40 EDAB NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CCOc3ccccc32)c1 76844476 GRCONCLNBZFMLT-OAHLLOKOSA-N 346.408 1.517 0 40 EDAB CCOC(=O)C1=C(COC(=O)CCc2ccccc2)NC(=O)N[C@@H]1C 22860284 LEXORUYKNWFMKR-GFCCVEGCSA-N 346.383 1.681 0 40 EDAB COc1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1OC 105739907 WOMAKSPZSRHNNL-IEPNIYFGSA-N 347.436 1.678 0 40 EDAB CC(C)[C@H](CNC(=O)[C@@H]1COCCO1)N1CCc2ccccc2C1 24622385 TZCCYWKEVBDRHZ-ROUUACIJSA-N 332.444 1.601 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(C(=O)O)cc1 106150904 WOCYZUXJQGVZAD-LWWSYDQCSA-N 342.351 1.354 0 40 EDAB CN1N=C(C(=O)N2CCC(COc3ccccc3)CC2)CCC1=O 55424349 IAVXFWRBGLPPHB-UHFFFAOYSA-N 329.400 1.912 0 40 EDAB Cc1csc(N2CCN(CC(=O)Nc3nncs3)C[C@H]2C)n1 106775786 BRDKLTYVIPWEBL-SNVBAGLBSA-N 338.462 1.452 0 40 EDAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1ccccn1 47572185 HPQWEHUXKVQKKJ-UHFFFAOYSA-N 338.371 1.411 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)NC2CCCCC2)C[C@H](C)O1 47579393 CQXUQMYBCAQCDO-STQMWFEESA-N 347.481 1.057 0 40 EDAB O=C(CN1CSCC1=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 55943678 HUKLQCYMRLHZNC-CJNGLKHVSA-N 338.404 1.695 0 40 EDAB NC(=O)N1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 78489545 TVLGORWNNHQESH-UHFFFAOYSA-N 335.788 1.254 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)NCCOc1ccccc1 44889211 JTVLOCDBYBRNCH-UHFFFAOYSA-N 345.380 1.760 0 40 EDAB O=C(CN(C1CC1)[C@H]1CCc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 58293236 LPFSDLHVCRARNO-PBHICJAKSA-N 348.468 1.442 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C3[C@H]4CCC[C@H]34)CC2)C1 102694603 CBVJQVLDKORVGS-QZWWFDLISA-N 347.503 1.872 0 40 EDAB Cc1noc(C)c1Cc1ccc(C(=O)NCCN2CCOCC2)o1 28241934 BFZWOKBLLAJVBY-UHFFFAOYSA-N 333.388 1.537 0 40 EDAB CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCC2)cc1 2136378 PVQNUWLXIZMTEN-UHFFFAOYSA-N 341.458 1.550 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCCCNC1=O 44968190 SXTIXWXZWMLWQH-CYBMUJFWSA-N 333.388 1.616 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2ccccc2)cc1 26102098 BEVATKPBDKGBNF-UHFFFAOYSA-N 332.425 1.632 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCc2ccccc2OC(F)(F)F)C1 45313417 JKNFIHRDBCGSMQ-SNVBAGLBSA-N 331.294 1.602 0 40 EDAB CCN(C(=O)CS(=O)(=O)Cc1nc(C(C)(C)C)no1)C1CC1 58936532 UKCDNHMEVNMRJE-UHFFFAOYSA-N 329.422 1.293 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 29188992 WACPVXWJQPSOLD-AWEZNQCLSA-N 349.456 1.641 0 40 EDAB Cc1nnc(SCC(=O)Nc2cccc(Br)c2)n1N 3441749 FUDNKHKIJHAFBS-UHFFFAOYSA-N 342.222 1.794 0 40 EDAB O=C(CN1C(=O)CSC1=O)Nc1ccccc1N1CCOCC1 3655819 USTVRJKCSXUEOI-UHFFFAOYSA-N 335.385 1.157 0 40 EDAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 13263120 KDLAHIJAVBPISK-NSHDSACASA-N 341.385 1.333 0 40 EDAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccnn1C)CC3 63537782 FURLKEHOIABADL-UHFFFAOYSA-N 338.367 1.887 0 40 EDAB O=C(O)C1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 13425687 ZTSKLHQVDFDGNJ-UHFFFAOYSA-N 339.775 1.977 0 40 EDAB CNC(=O)C1(NC(=O)CNC(=O)NC2CCCCC2)CCCCC1 69491949 DRUDXNLDYAOROQ-UHFFFAOYSA-N 338.452 1.183 0 40 EDAB Cc1c(CC(=O)N2CCC[C@H]2C(=O)O)c(=O)oc2c(C)c(O)ccc12 4060814 QXXBZHVEJDLPFM-ZDUSSCGKSA-N 345.351 1.734 0 40 EDAB biogenic CCOC(=O)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1 4041730 HFONFDOIGODJRZ-UHQDVWGKSA-N 343.335 1.234 0 40 EDAB biogenic COC[C@H](O)CN(C)C(=O)NCc1ccc(N2CCCCC2)nc1 65446480 RLWCNWFRPXUFCS-OAHLLOKOSA-N 336.436 1.221 0 40 EDAB C[C@@H](NCc1cnc(N2CCOCC2)nc1)c1ccc2c(c1)OCO2 65488670 LGMQUPDZVZKRPF-CYBMUJFWSA-N 342.399 1.893 0 40 EDAB CC1(C)CN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCO1 65439865 IUIANZALPZYZHS-UHFFFAOYSA-N 339.399 1.720 0 40 EDAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccc(=O)[nH]n1 69590242 WWGUYEOBLUISHK-UHFFFAOYSA-N 345.309 1.854 0 40 EDAB NC(=O)CC1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 65564423 GNIAQZCVPRUUKC-OAHLLOKOSA-N 348.447 1.714 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1C 65593501 SACOJTYIDQCCOY-OLZOCXBDSA-N 335.404 1.011 0 40 EDAB COc1ccc(NC(=O)C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)c(C)c1 65593107 YVSXBSRRKIVFEY-ZIAGYGMSSA-N 349.431 1.168 0 40 EDAB CCN(CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cccc(C)c1 65402223 LNPVYJGUKXDBDU-HNNXBMFYSA-N 329.444 1.948 0 40 EDAB CN(C)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 22273341 JZYSRLJDJUHBCW-UHFFFAOYSA-N 335.223 1.303 0 40 EDAB C[C@@H]1CN(C[C@H](O)CN2CCC(Cn3cccn3)CC2)C[C@@H](C)O1 65623982 IYUUGGYVNDVADA-JFIYKMOQSA-N 336.480 1.065 0 40 EDAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O 4513977 MQNCJXDKMNXNKV-DIFFPNOSSA-N 335.379 1.898 0 40 EDAB Cc1cnc(C(=O)N2Cc3cncn3[C@H](CN3CCCCC3)C2)cn1 306126563 DYZAUXZRHVCVIP-MRXNPFEDSA-N 340.431 1.665 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN(CCCO)[C@@H]1CCc2ccccc21 69654420 UGNIRWWFPFCESA-MRXNPFEDSA-N 347.459 1.983 0 40 EDAB Cc1cccc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 69659052 PGRKNAMMRWXARF-GOSISDBHSA-N 325.412 1.881 0 40 EDAB Cn1nc(C(=O)Nc2nnc(C3CC3)s2)c2ccccc2c1=O 5560718 RAAFANQBVHOUNG-UHFFFAOYSA-N 327.369 1.915 0 40 EDAB CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 4778310 QZEVABWEGVTYSP-SECBINFHSA-N 334.825 1.542 0 40 EDAB NC(=O)[C@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CCO1 66643803 HIPRWNUKBSIWQG-GFCCVEGCSA-N 342.317 1.450 0 40 EDAB CCCc1nc(Cn2nc(C)c(S(=O)(=O)N(C)CC)c2C)no1 67098646 VFZJLYZLVPFFIB-UHFFFAOYSA-N 341.437 1.524 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7543034 KGGXWWYVRGGKCZ-CXAGYDPISA-N 348.468 1.664 0 40 EDAB CC(C)Oc1ccc(C(=O)NCCCNC(=O)c2cnccn2)cc1 7871481 JAOXGPNDNPTZQM-UHFFFAOYSA-N 342.399 1.814 0 40 EDAB CC1CCC2(CC1)NC(=O)N(Cc1nnnn1-c1ccccc1)C2=O 7990848 GGELSHUDYZHGPP-UHFFFAOYSA-N 340.387 1.663 0 40 EDAB Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)no1 96000515 GWRJFGBQVNQOIJ-LBPRGKRZSA-N 343.792 1.794 0 40 EDAB CC(C)(C)NS(=O)(=O)NCc1ccnc(N2CCCCC2)c1 96012603 BYOFMWNAMNOBRA-UHFFFAOYSA-N 326.466 1.794 0 40 EDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCC(C)C)[C@@H]4C2=O)no1 9305824 KLFYJWOZWHIGPW-SCFUHWHPSA-N 345.399 1.432 0 40 EDAB O=S(=O)(CC1CCOCC1)NCCc1nc2c(s1)CCCC2 97009542 LPFQMDOZGDYDTE-UHFFFAOYSA-N 344.502 1.910 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)CCc1ccccc1 71818521 SONFVECLMJMYBO-KRWDZBQOSA-N 344.436 1.471 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1cnn(-c2ccccc2)c1 71829678 YQZCWJUVGGPTCI-HIFRSBDPSA-N 326.400 1.527 0 40 EDAB CN(Cc1cnn(-c2ccccc2)n1)CC1CCN(CCO)CC1 83867663 XYIQIQSBGXDWHJ-UHFFFAOYSA-N 329.448 1.403 0 40 EDAB COCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc3cccnc23)C1 71920364 BQAPDBUEBKHGIX-CQSZACIVSA-N 342.399 1.010 0 40 EDAB COCCN1CC[C@H](NC(=O)C(=O)Nc2cccc3cccnc23)C1 71920363 BQAPDBUEBKHGIX-AWEZNQCLSA-N 342.399 1.010 0 40 EDAB CNc1snc(C)c1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 72279767 CDOGKNQDDAVOOS-UHFFFAOYSA-N 348.476 1.575 0 40 EDAB COC(=O)[C@H](NC(=O)c1cnn2c1CCCC2)c1ccc(O)cc1 72132100 YZRPFQNPWCQDCN-OAHLLOKOSA-N 329.356 1.569 0 40 EDAB Cc1nc(C)c(CN2CCO[C@@H](CN(C)c3cccnn3)C2)s1 84062447 KJZRVXBKCHLTEZ-AWEZNQCLSA-N 333.461 1.887 0 40 EDAB Cc1ncc(CN2CC[C@@H](Nc3ccc4nnnn4n3)[C@H](C)C2)s1 72293796 KDRWUMJNCIGMDU-ZWNOBZJWSA-N 344.448 1.607 0 40 EDAB Cn1cc(CNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cn1 72271516 ASSDOMALEAAGOH-CYBMUJFWSA-N 342.321 1.972 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3C(=O)O2)no1 72299031 AYRXYQLGECVJCT-UONOGXRCSA-N 327.340 1.823 0 40 EDAB CC(=O)N1CCCN([C@@H]2CN(Cc3cnc(C)cn3)C[C@H]2C)CC1 78896311 PNCGPSRGGXTBEF-RDTXWAMCSA-N 331.464 1.160 0 40 EDAB O=S(=O)(NCCOC[C@@H]1CCCO1)N1CCC[C@H]1c1ccco1 78880904 NBKYBDOQVHDWJS-KBPBESRZSA-N 344.433 1.447 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 78894309 BZGYSGDLYKAYJC-CQSZACIVSA-N 340.387 1.847 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)[C@@H]1CC(=O)Nc3cc(F)ccc31)CC2 97198769 QJOGVSXYRDGCPE-DGCLKSJQSA-N 343.362 1.283 0 40 EDAB Cc1c(CNC(=O)c2nccnc2C(N)=O)oc2ccc(F)cc12 78965822 JBQCYIRRGGLQEK-UHFFFAOYSA-N 328.303 1.699 0 40 EDAB Cc1cc(CNC(=O)CCN2CCN(c3ccccc3)CC2)no1 78964457 MTGLXBPQZAHRSK-UHFFFAOYSA-N 328.416 1.812 0 40 EDAB O=C(Cn1ccccc1=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 79022360 QWIKKLTVQIWAMD-CQSZACIVSA-N 345.786 1.423 0 40 EDAB C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CCO1 84715057 LLKLVFVVHDSLKI-LBPRGKRZSA-N 346.383 1.914 0 40 EDAB CCN(CC)C(=O)CCCNC(=O)[C@H](C)n1nnnc1C(C)(C)C 95465628 SELOEBQBBGZESD-LBPRGKRZSA-N 338.456 1.296 0 40 EDAB CCOc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1OCC 61523687 QYGICVVQCQQRCJ-UHFFFAOYSA-N 349.475 1.851 0 40 EDAB CN(Cc1ncnn1C)c1nc2ccccc2nc1N1CCOCC1 95449407 GLERVVAJMLYREU-UHFFFAOYSA-N 339.403 1.231 0 40 EDAB O=C(NCCc1nnc2n1CCC2)NC[C@H]1COc2ccccc2C1 95409918 BPJPQNYVPKKSIV-ZDUSSCGKSA-N 341.415 1.317 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)c3ccc4c(c3)COC4)CCO2)n1 89289791 VPNRJMOQIFANMN-CQSZACIVSA-N 328.372 1.611 0 40 EDAB Cc1ccccc1-n1nccc1NC(=O)C(=O)NCc1ccon1 89697027 YFMKRFWNUPYKHU-UHFFFAOYSA-N 325.328 1.424 0 40 EDAB COc1cncc(N2CCN(c3nnc(C(C)(C)C)s3)CC2)n1 89761559 QROWKGHMLAFDKD-UHFFFAOYSA-N 334.449 1.961 0 40 EDAB CCCc1noc(CCCC(=O)N2CCN(Cc3ccon3)CC2)n1 89960501 HZPGGCWVHXNYJJ-UHFFFAOYSA-N 347.419 1.677 0 40 EDAB COc1ccc(F)cc1[C@H](C)NC(=O)N[C@H]1CCS(=O)(=O)C1 42870008 JEDCHILIUDLAAG-ONGXEEELSA-N 330.381 1.382 0 40 EDAB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C\C(N)=O)o2)cc1 409416109 QAVPNCCKGJTLRH-UITAMQMPSA-N 334.353 1.270 0 40 EDAB NC(=O)C1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 32809710 HJXVMOQTMZBYCB-UHFFFAOYSA-N 336.335 1.682 0 40 EDAB Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)c2cccs2)c1=O 38486422 STBFPACLQMLQBU-UHFFFAOYSA-N 347.396 1.172 0 40 EDAB CNC(=O)[C@]1(C)CN(Cc2cnc(-c3ccccc3)nc2)CCO1 72379908 QBRGJOCOHZIRGA-SFHVURJKSA-N 326.400 1.481 0 40 EDAB C[C@H]1CCN(C(=O)CCS(C)(=O)=O)CCN1Cc1ccccc1 75490581 UFDWEFADWYRGRK-HNNXBMFYSA-N 338.473 1.544 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CCN(CCn3cccn3)CC2)cc1 62153596 KKRZNBNYBOKKLO-UHFFFAOYSA-N 341.415 1.300 0 40 EDAB Nc1cc(-n2cnnc2)ccc1N1CCN(C(=O)c2ccccc2)CC1 70461874 WIRACTDMRRPABO-UHFFFAOYSA-N 348.410 1.812 0 40 EDAB CCNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217540182 AOSYYPVLZCJFDN-SNVBAGLBSA-N 328.390 1.274 0 40 EDAB CCc1ccccc1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)O 567044109 CHOTWQMLJZNNKZ-YPMHNXCESA-N 327.402 1.407 0 40 EDAB O=C(Nc1nncs1)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223332739 WYZXDELCPYMWIE-SNVBAGLBSA-N 346.368 1.397 0 40 EDAB C[C@H]1CN(c2ncc3c(n2)CN(C2CCSCC2)C3=O)C[C@@H](C)O1 41122953 ANTFCLWIRCLYEK-TXEJJXNPSA-N 348.472 1.942 0 40 EDAB CCNS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 223229113 QSIRPFXGMKLEQV-UHFFFAOYSA-N 326.403 1.397 0 40 EDAB COc1ncccc1NC(=O)C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 49543674 QIYKAIKOCJOMFN-DZGCQCFKSA-N 346.431 1.409 0 40 EDAB biogenic CN(C)C(=O)OCCn1cnc2c(Br)cccc2c1=O 130652823 RYNLTCCKCKXALC-UHFFFAOYSA-N 340.177 1.857 0 40 EDAB O=C(O)CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCS1(=O)=O 574338931 GZGJOYGTFXZINZ-LBPRGKRZSA-N 345.804 1.330 0 40 EDAB CN(C)c1ncccc1O[C@H]1CCN(c2nccn3cnnc23)C1 225575134 FEDVHGNVPCYJHK-LBPRGKRZSA-N 325.376 1.243 0 40 EDAB O=C(N1CCC(c2ccnn2CCO)CC1)C(F)(F)C1(O)CCC1 195550123 PRVYOMHGRVNVOA-UHFFFAOYSA-N 343.374 1.132 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(C(=O)N(C)C)cn1 330993100 SQUIRPFDBSCWAI-JTQLQIEISA-N 329.404 1.876 0 40 EDAB Cc1nc(C)c(C)c(N2CCC[C@H](CNS(=O)(=O)C(C)C)C2)n1 95416507 RENYYFSFGYALLY-OAHLLOKOSA-N 340.493 1.946 0 40 EDAB O=C(CC1(N2CCOCC2)CCCC1)NC1CCN(C2CC2)CC1 96411820 LRUQPLOCPQTWKR-UHFFFAOYSA-N 335.492 1.765 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1Cc1cccnc1 96200876 GNYRFHMOPPPMQS-MSOLQXFVSA-N 345.468 1.816 0 40 EDAB O=c1ccc2c(n1Cc1ccncc1)CC[C@H](N[C@@H]1CCOC1)C2 96196615 VENXNQZZSMTCES-DLBZAZTESA-N 325.412 1.527 0 40 EDAB C[C@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2ccncc2F)CC1 96449539 UEYIWRHYUJURHY-CQSZACIVSA-N 348.422 1.380 0 40 EDAB Cc1ccoc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 96063875 ZVLFGCCEUYDWDZ-CABCVRRESA-N 325.368 1.999 0 40 EDAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C2)c1F 239578970 DCTQMKBLULUGFQ-LLVKDONJSA-N 346.362 1.170 0 40 EDAB COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3ccccc3)C[C@@H]12 96040832 VPCYXVCOBHCYIR-KURKYZTESA-N 332.444 1.534 0 40 EDAB Cc1nc(C)c(CN2CCN(CCN3C(=O)CCC3=O)CC2)s1 96452943 XNACPGGYNFFIPK-UHFFFAOYSA-N 336.461 1.027 0 40 EDAB CC(C)[C@@H](NC(=O)N1CC[C@@]2(CCOC2)C1)c1nnc2n1CCC2 96461956 SARQDYFTIIMLOR-RHSMWYFYSA-N 333.436 1.743 0 40 EDAB CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3nccs3)C2)O1 96206480 IGCDNVGNPQUBDQ-TZMCWYRMSA-N 345.490 1.206 0 40 EDAB Cc1csc(C[C@@H]2OC[C@H]3CN(C(=O)c4ccnn4C)CC[C@@H]23)n1 96218382 OCUKXPTYTRRZEX-NFAWXSAZSA-N 346.456 1.905 0 40 EDAB COc1ccc(CCC(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1 96414039 BWMOCEVCYDDWDY-GFCCVEGCSA-N 344.333 1.907 0 40 EDAB CCOC(=O)[C@]12CCCN(C(=O)c3ccco3)C[C@H]1CN(C(C)=O)C2 96056010 HZXDUMUWQHBLJD-KSSFIOAISA-N 348.399 1.543 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 96426807 LMDDMKNBQLJXNN-NWDGAFQWSA-N 336.354 1.815 0 40 EDAB Cn1cc(-c2ncnc3c2CCN(C(=O)N2CCCC2)CC3)cn1 96187602 GRLIBBUIAZEPJG-UHFFFAOYSA-N 326.404 1.494 0 40 EDAB O=C(CC1(O)CCCC1)NC[C@@H]1C[C@H](F)CN1Cc1ncccn1 583622000 MIMAOKUHKKFWES-KBPBESRZSA-N 336.411 1.200 0 40 EDAB COCC(=O)N[C@@H]1CCc2c(ccc(=O)n2Cc2cccc(C)n2)C1 96196625 ZHZAUUKXFQSOCN-OAHLLOKOSA-N 341.411 1.220 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCCn1ccc(-c2cnccn2)n1 244998694 KPWIWOPVMYHRCV-UHFFFAOYSA-N 325.376 1.120 0 40 EDAB COc1cc(N2CC3(CC[C@@H](CN4CCCC4=O)CO3)C2)ncn1 247889131 MDYFOSRGEYVILV-ZDUSSCGKSA-N 332.404 1.093 0 40 EDAB O=C(Cc1ccco1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 247871769 QYVWQKSNAUUPMM-CQSZACIVSA-N 329.356 1.451 0 40 EDAB Cc1nc(CN2C[C@@H](O)[C@H](Oc3ccc(C(=O)O)cc3)C2)cs1 257228964 FWAIRYZWDRNMQN-HUUCEWRRSA-N 334.397 1.774 0 40 EDAB Cc1nc(C(=O)N2CCO[C@@H](CCc3ccnc(N(C)C)c3)C2)co1 257208891 BNYNTNHFUAIHKF-HNNXBMFYSA-N 344.415 1.918 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@H](Cc3cc(C)ncn3)C2)cn1 257321105 WACCRFWUCDYHMU-OAHLLOKOSA-N 326.400 1.820 0 40 EDAB Cc1noc(C)c1C(=O)N(C)C[C@@]1(O)CCCN(c2ncccn2)C1 257213398 CHKNVRPTTSHQDF-KRWDZBQOSA-N 345.403 1.185 0 40 EDAB O=C(N[C@H](CO)C(=O)NCCc1ccco1)OCc1ccccc1 585122062 LWZUCEDVYPRRFU-OAHLLOKOSA-N 332.356 1.226 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(-n2ccnn2)ccc1F 585114361 QHLGOLINSULNAL-AAEUAGOBSA-N 334.351 1.929 0 40 EDAB COc1nc(OC)nc(N2CCN(C(C)=O)C[C@H]2c2ccccc2)n1 257331992 XVGANUICAHBWSA-AWEZNQCLSA-N 343.387 1.299 0 40 EDAB COc1ccccc1[C@H]1CN(C(=O)CCN2CCCC2)CCN1C 257255840 KJBIRYNKYZEYMO-QGZVFWFLSA-N 331.460 1.996 0 40 EDAB Cc1ncoc1C(=O)N1CCO[C@@H](CCc2ccnc(N(C)C)c2)C1 257295984 RASKVQUBOPIPRT-HNNXBMFYSA-N 344.415 1.918 0 40 EDAB Nc1nccnc1C[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 257320376 VWOBJYQUBMCQRK-LBPRGKRZSA-N 333.417 1.097 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)cn1 257342880 ZQMDYWTYCJRYGT-OAHLLOKOSA-N 328.372 1.359 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)n1 257258318 KTICASQENLXTNL-AWEZNQCLSA-N 345.403 1.065 0 40 EDAB CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)C[C@H](C)C(=O)OC 268105118 XUHXGIATFRNLCJ-QMMMGPOBSA-N 348.808 1.250 0 40 EDAB C[C@@]1(C(=O)N[C@H](Cc2ccccc2)c2ncco2)CCC(=O)NC1 606444886 KOCNWJWYNBCAAQ-RDTXWAMCSA-N 327.384 1.991 0 40 EDAB CNS(=O)(=O)c1ccc(CCNC(=O)c2cc(C)nc(C)c2)cc1 1615547645 KHKPXDQGLIMMNC-UHFFFAOYSA-N 347.440 1.579 0 40 EDAB O=C([C@@H]1C[C@@H]2OCC[C@H]2N1C(=O)c1ccc(Cl)cn1)N1CCCC1 1615550510 VADYIEKXCOQEDL-ILXRZTDVSA-N 349.818 1.729 0 40 EDAB Cc1csc(CNC(=O)N2CC[C@@H](N3CCCS3(=O)=O)C2)c1 1615587549 HDBORAOHVUJJAU-GFCCVEGCSA-N 343.474 1.376 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)O)CCC[C@@H]2C)cc1C(=O)O 1615586999 AAVGGXAKIVCVIJ-BONVTDFDSA-N 341.385 1.615 0 40 EDAB C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)[C@@H]1C[C@H]1C 585097108 FTERPQORKMKVTQ-VNHYZAJKSA-N 328.416 1.383 0 40 EDAB CCc1n[nH]cc1C(=O)N1CCO[C@@](CO)(Cc2cccc(C)c2)C1 585277146 KMURUFNWQSRKDK-IBGZPJMESA-N 343.427 1.727 0 40 EDAB Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1=O 585097389 KPUSAIQLZCDBEM-CQSZACIVSA-N 342.399 1.822 0 40 EDAB CCn1cc(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)cn1 585269297 OKRWLAWRMWTSNC-SFHVURJKSA-N 349.406 1.684 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)N(Cc2ccccn2)C2CC2)C1 44403484 UOCRZUMWQVYSRG-ZDUSSCGKSA-N 337.445 1.244 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)N1CCO[C@@H]2CCCC[C@H]21 46493834 OHNLCVWUTVJRNW-SJLPKXTDSA-N 341.411 1.957 0 40 EDAB C[C@@H](NC(=O)NCCCNS(C)(=O)=O)c1cccc(Cl)c1 45138233 XMXIBDHLKKGZPZ-SNVBAGLBSA-N 333.841 1.640 0 40 EDAB CC(C)c1noc(CS(=O)(=O)CC(=O)NCc2ccccc2)n1 58935455 OMEPIWFZFKLZDB-UHFFFAOYSA-N 337.401 1.424 0 40 EDAB Cn1cc(CN2C(=O)C[C@H](C(=O)O)[C@@H]2c2ccc3c(c2)CCO3)cn1 69492039 FEYOWCWFKCKUQM-YOEHRIQHSA-N 341.367 1.529 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)NC[C@@H]1CN(C)CCN1C 71897637 CGXBTMVMJMQFSC-OAGGEKHMSA-N 326.485 1.127 0 40 EDAB Cc1nc([C@H]2CCCN2Cc2ccc(S(=O)(=O)N(C)C)o2)no1 75573031 LFRSDJFJBAEZEB-GFCCVEGCSA-N 340.405 1.558 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCN(C[C@@H](O)C3CC3)CC2)c1 85436612 SXHYAMJHMQVRHT-QGZVFWFLSA-N 334.416 1.233 0 40 EDAB CC(C)(C)CC(=O)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(C(C)(C)C)nn1 1549161896 PPRMKFPCVSJKMK-YWPYICTPSA-N 338.452 1.256 0 40 EDAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O 8103667 AYWDZEVQOMPOBP-RAXLEYEMSA-N 334.397 1.876 0 40 EDAB Cc1cc(-c2cnc(N3CCNC(=O)C3)nc2-c2ccoc2)on1 12252358 CCFNZSCOCLDJOA-UHFFFAOYSA-N 325.328 1.636 0 40 EDAB CCCn1c(SC)nc(COC(=O)NC)c1COC(=O)NC 13215570 JLRWVYNLMCZOHM-UHFFFAOYSA-N 330.410 1.727 0 40 EDAB Cn1c(=O)c2[nH]c(CCCc3nc4ccccc4[nH]3)nc2n(C)c1=O 13284729 FDLAPWGRNFMXPE-UHFFFAOYSA-N 338.371 1.012 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585647 AFSHBDWHFQGTFH-LBPRGKRZSA-N 342.442 1.802 0 40 EDAB O=C(C[C@@H]1C=CCC1)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19404451 MFAMTUZWEJBYPE-ZIAGYGMSSA-N 340.431 1.376 0 40 EDAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(CC1CC1)C2 19707348 OBBYGMFCKKXFFS-INIZCTEOSA-N 329.448 1.970 0 40 EDAB Cn1nc(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)ccc1=O 220726277 HTHLYAOYZPZCNO-NSHDSACASA-N 343.387 1.136 0 40 EDAB CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCN(C)CC1 14033049 YGKCKOUPUXWLOU-ZDUSSCGKSA-N 336.461 1.007 0 40 EDAB CCc1ccc(OC)c(S(=O)(=O)NCC2CCN(C)CC2)c1 22999773 WQBMDISLIPVGHB-UHFFFAOYSA-N 326.462 1.878 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 25178018 QSBGCHQPLRJBOG-HNNXBMFYSA-N 346.408 1.848 0 40 EDAB O=C1CN(C2CCN(c3ncnc4[nH]ccc34)CC2)C(=O)N1C1CC1 1888863608 ZLYKYMCYPFQYAR-UHFFFAOYSA-N 340.387 1.353 0 40 EDAB Cc1cn2nncc2c(=O)n1C[C@@H]1CC(=O)N(Cc2ccccc2)C1 1888956275 ACXLDDSBWUCCHB-OAHLLOKOSA-N 337.383 1.248 0 40 EDAB CCCn1c(=O)n(CC(=O)OCc2nc(C)no2)c2ccccc21 25449878 XIDDKRMIXLBPAV-UHFFFAOYSA-N 330.344 1.648 0 40 EDAB O=C1SCCN1CC(=O)N1CCC[C@@H]1c1nnc2ccccn12 31504485 DMFHMWSHYMQIAO-LLVKDONJSA-N 331.401 1.562 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C1 33185188 KOWKSDRYURXGPL-ZYHUDNBSSA-N 342.399 1.728 0 40 EDAB Cc1ccc(C(=O)NCCn2c(C)nc3sccc3c2=O)cn1 239611964 FGJCLXAPDJECPG-UHFFFAOYSA-N 328.397 1.900 0 40 EDAB O=C(c1cnco1)N1CCC[C@@]2(CCCN(c3ncccn3)C2)C1 2056223324 GBRPGLGTMLZDEX-QGZVFWFLSA-N 327.388 1.987 0 40 EDAB O=C(c1csnn1)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 1614927725 ARUVYMVGHQXXCG-INIZCTEOSA-N 343.412 1.592 0 40 EDAB Cc1cc(C)nc(N2CC[C@H]3[C@H](CC(=O)NC(C)C)OC[C@H]3C2)n1 1565550837 GKXSEZLYSZCHFO-OAGGEKHMSA-N 332.448 1.849 0 40 EDAB Cc1cc(NC(=O)C(=O)NCc2ccco2)ccc1N1CCCC1=O 10220947 ILNAAGUKFZTRCX-UHFFFAOYSA-N 341.367 1.970 0 40 EDAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2F)cc1 10594537 CZNAFDUDWSAWIB-UHFFFAOYSA-N 347.375 1.588 0 40 EDAB CCC(=O)N1CCC(Nc2cccc(OC)c2)(C(=O)N(C)C)CC1 2055750780 XLWCEMPFGGTHMT-UHFFFAOYSA-N 333.432 1.967 0 40 EDAB CN1CCN([C@@H](c2cccc(F)c2)c2sc3ncnn3c2O)CC1 22031223 UNDORCSYTVADJJ-ZDUSSCGKSA-N 347.419 1.972 0 40 EDAB Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)n(N)c1=O 94462 PPTCVZOURBBPFW-UHFFFAOYSA-N 325.781 1.045 0 40 EDAB O=C1CN(C(=O)COc2ccc(Oc3ccccn3)cc2)CCN1 30576815 QLTGYVYXELKHBN-UHFFFAOYSA-N 327.340 1.211 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1ccc(OC[C@@H]2CCCO2)cc1 40486200 GTKPXDZUQVWGED-HNNXBMFYSA-N 342.399 1.712 0 40 EDAB O=C(NCC(=O)N1CCCC1)c1nn(-c2ccccc2)c2c1CCC2 40485941 VJTADKZFPGYVCW-UHFFFAOYSA-N 338.411 1.713 0 40 EDAB CCN1C(=O)C(=O)N(Cc2coc(-c3ccc(OC)cc3)n2)C1=O 40490054 HSMZMQLJWDZXSE-UHFFFAOYSA-N 329.312 1.661 0 40 EDAB CC(=O)N[C@@H](C(=O)NCc1ccnc(-n2cccn2)c1)C1CCCC1 40510781 FRUYHFYWNMYKQR-QGZVFWFLSA-N 341.415 1.578 0 40 EDAB CN1CCN(CCCNC(=O)c2nc(-c3cccs3)no2)CC1 20744539 USRSANAVBILIGF-UHFFFAOYSA-N 335.433 1.165 0 40 EDAB CNS(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C 98817 CYNLIAKUFSXUDE-UHFFFAOYSA-N 343.408 1.817 0 40 EDAB CNC(=O)NC(=O)CN1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 69509850 ONQMMHYENBGQGT-NEPJUHHUSA-N 342.440 1.210 0 40 EDAB O=C(CN1CCCCCC1=O)NCCNC(=O)c1ccccc1F 69591195 YLJFGKXVGASVSE-UHFFFAOYSA-N 335.379 1.074 0 40 EDAB CCn1cc2nc(SCC(=O)NCC(C)C)n(CC)c(=O)c2n1 2732867 QSEJDHNPRBMTGG-UHFFFAOYSA-N 337.449 1.497 0 40 EDAB CCOCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OC 7457633 XJGCCNXCVDLTJB-UHFFFAOYSA-N 345.399 1.706 0 40 EDAB Cc1csc(=O)n1CC(=O)O[C@H](C)C(=O)NCc1ccccc1 7673404 UMJPBQMEZXUTKC-GFCCVEGCSA-N 334.397 1.466 0 40 EDAB CCOC(=O)CSCc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 7738283 UQGPNPHRAJHLPU-UHFFFAOYSA-N 336.369 1.506 0 40 EDAB CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C)C=C[C@]3(C)O2)c1 100201787 ZTDNVMSMAVGYJS-KNCCTNLNSA-N 327.336 1.835 0 40 EDAB COc1ncccc1C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 33120386 IIYCCIOFBLNYKV-JTQLQIEISA-N 327.340 1.912 0 40 EDAB C[C@H](O)CNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 538061 ZMMYBNHDNYVBMZ-LBPRGKRZSA-N 337.379 1.711 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccoc2)c1 53019920 XGXHXBQOZQQNCW-UHFFFAOYSA-N 336.413 1.881 0 40 EDAB COCC(=O)N1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1 53060225 YNOAOLLNVGZLIT-UHFFFAOYSA-N 349.818 1.612 0 40 EDAB O=C(NCc1cccnc1)N1CCN(C(=O)c2cccs2)CC1 53251168 QWTHOPVYVVYMKH-UHFFFAOYSA-N 330.413 1.811 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 20490489 UUYAVPJNAGZOHF-UKRRQHHQSA-N 339.461 1.382 0 40 EDAB C[C@@H](C(=O)N1CCCCCC1)N1CCN(C(=O)NC(C)(C)C)CC1 97014700 GJZRMWUQZVEGBU-HNNXBMFYSA-N 338.496 1.903 0 40 EDAB Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)NC4CC4)cnc32)c1 22878257 CJEURBHWCUSVCU-UHFFFAOYSA-N 337.383 1.478 0 40 EDAB CCc1cnc2c(c1OC)c(=O)n(Cc1ccccc1F)c(=O)n2C 9571562 AQYSDNGGNWJBDS-UHFFFAOYSA-N 343.358 1.854 0 40 EDAB C[C@H]1CN(Cc2nc(C3CC3)no2)CCN1Cc1nc(C2CC2)no1 69699706 WCTZEALBDSCPHP-NSHDSACASA-N 344.419 1.914 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCN3C2=O)c(OC)c1 12567972 YXBFTLVBZDOQNF-LBPRGKRZSA-N 333.344 1.069 0 40 EDAB COC(=O)C[C@H]1CCCCN1CC(=O)NC(=O)NCc1ccco1 54394389 KHHMEJHDXAHJFO-GFCCVEGCSA-N 337.376 1.023 0 40 EDAB Cc1ccc(OC[C@H](O)CN2CCN(c3ncccn3)CC2)cc1 23387171 WPXBUUDDSONYOE-MRXNPFEDSA-N 328.416 1.347 0 40 EDAB NC(=O)C1(CNC(=O)COc2ccccc2Cl)CCOCC1 47909446 LAYMVJWIPIEWPF-UHFFFAOYSA-N 326.780 1.117 0 40 EDAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(Cc3ccccn3)[C@@H]2C1 107747566 JSUVDCAFGYOLAK-UAGQMJEPSA-N 333.432 1.166 0 40 EDAB COc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 24210169 XCWWLPIJZNLRSR-KCXAZCMYSA-N 333.384 1.610 0 40 EDAB Cc1cccc(C)c1N1C(=O)C[C@@H](N2CCC[C@@H](C(N)=O)C2)C1=O 24762645 SLWHWXFYLZLBNZ-ZIAGYGMSSA-N 329.400 1.133 0 40 EDAB COc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 55231823 VUYJXSQZTRENKN-HNNXBMFYSA-N 332.400 1.406 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)c3ccnc(N4CCCC4)n3)C2)no1 72292208 RCDOTVULLMPVPT-ZDUSSCGKSA-N 342.403 1.788 0 40 EDAB Cc1cc(C)nc(SCC(=O)N2CCN(Cc3ncc[nH]3)CC2)n1 72282097 PQZOWCTUIWVMOT-UHFFFAOYSA-N 346.460 1.253 0 40 EDAB O=C(CCNC(=O)c1ccoc1)Nc1cccnc1-n1cccn1 25012267 SKROJMISVWDMOV-UHFFFAOYSA-N 325.328 1.619 0 40 EDAB O=C1C[C@H](N(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C2CC2)C(=O)N1 106763928 QMFWDQCCXWWURT-YWVKMMECSA-N 332.322 1.761 0 40 EDAB CC1(C)[C@@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)[C@H]1C(=O)O 62001690 ITASIBIOHKWOKH-BVIHXZOGSA-N 330.384 1.151 0 40 EDAB CCCc1n[nH]c([C@@H]2CN([C@H](C)C(=O)Nc3cc(C)no3)CCO2)n1 107056879 JXLZHRWOZKHSSH-NEPJUHHUSA-N 348.407 1.454 0 40 EDAB COCc1ccccc1CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 25794730 JVMRLXMXDGXRIE-HNNXBMFYSA-N 340.445 1.263 0 40 EDAB O=C([C@@H]1CCCN1Cc1nc(-c2cccs2)no1)N1CCOCC1 48264554 RHEHQGCHKGWNMH-LBPRGKRZSA-N 348.428 1.621 0 40 EDAB O=C(NCc1ccco1)[C@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@@]23C=C[C@H]1O3 108234088 DXIBGXRLIIIXPI-NNFUDEMPSA-N 342.395 1.620 0 40 EDAB O=C(Cc1nc2ncccn2n1)N1CCC(Nc2ccccc2)CC1 72277561 IKIZPCJNFHHAOW-UHFFFAOYSA-N 336.399 1.770 0 40 EDAB O=S1(=O)CC[C@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)C1 44789921 AOYBZTYKEDVPMQ-GFCCVEGCSA-N 341.454 1.328 0 40 EDAB CC(=O)c1sc2nc(CN3CCC(C(N)=O)CC3)[nH]c(=O)c2c1C 58160503 LTGPUCUJYYVPQI-UHFFFAOYSA-N 348.428 1.193 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 44893113 OTBQJHCXPHXMGJ-HNNXBMFYSA-N 329.425 1.733 0 40 EDAB Cc1c(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cnn1C 58282661 KPETWLFBWZZTOM-UHFFFAOYSA-N 347.463 1.965 0 40 EDAB O=C(CN(C1CC1)[C@@H]1CCc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 58293237 LPFSDLHVCRARNO-RHSMWYFYSA-N 348.468 1.442 0 40 EDAB Cn1nccc1CNC(=O)N1CCO[C@@H](CCc2ccccc2)C1 97109780 DBCNVYLQUCXMKU-KRWDZBQOSA-N 328.416 1.963 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCN(Cc2c(C)noc2C)CC1)C(C)C 44917203 PQRUZDWICPTIBW-INIZCTEOSA-N 336.436 1.096 0 40 EDAB CC(=O)N1CCC(NC(=O)c2cccc(Nc3ncccn3)c2)CC1 44908438 BBHOAWPLBJAAFX-UHFFFAOYSA-N 339.399 1.961 0 40 EDAB C[C@H](c1nc(-c2cccs2)no1)N1CCN(CC(=O)N(C)C)CC1 58328895 BCSFMGWRCMCWMI-GFCCVEGCSA-N 349.460 1.565 0 40 EDAB CCOCCO[C@@H](C)C(=O)N1CCN(C(=O)CC(F)(F)F)CC1 58380070 WJXUOARLUPUYIX-NSHDSACASA-N 340.342 1.051 0 40 EDAB COCCN(C)CCCNC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 58342901 CQABQVJGGYGYLS-UHFFFAOYSA-N 349.475 1.913 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 58426602 IXOMREHPFLVIQS-HNNXBMFYSA-N 335.835 1.894 0 40 EDAB Cc1ccc(C(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)cn1 69698829 XBOZQAAVMGVCRG-UHFFFAOYSA-N 327.388 1.608 0 40 EDAB O=C(NCc1nnc2ccccn12)[C@H]1CCCN(c2ncccn2)C1 45133166 MJUXPBLRXJKPBR-ZDUSSCGKSA-N 337.387 1.052 0 40 EDAB Cc1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1-n1cnnn1 28260968 DMHADTYHJPKIIS-UHFFFAOYSA-N 333.348 1.911 0 40 EDAB COc1ccccc1CN(C)C(=O)Cn1nnnc1-c1ccccn1 69743819 QJZBRRIFKCUAJI-UHFFFAOYSA-N 338.371 1.402 0 40 EDAB CN1CCN(c2ncccc2CNC(=O)Cc2cccc(O)c2)CC1 69700706 WUPATHGHMRPEPQ-UHFFFAOYSA-N 340.427 1.398 0 40 EDAB CCOC(=O)Cc1nnc(NC(=O)NC(=O)c2ccccc2)s1 408718074 HJCMORBDHGVHQG-UHFFFAOYSA-N 334.357 1.606 0 40 EDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccccc1Cl 4386490 ZNQLASSCYQLRRG-UHFFFAOYSA-N 343.774 1.935 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)N[C@@H](C)Cn2cccn2)c1 65414264 AAZHGLKMNCUTLI-WFASDCNBSA-N 348.403 1.322 0 40 EDAB COC(=O)C[C@H](NC(=O)c1cnccn1)c1ccc(OC)c(OC)c1 14018459 RGEWGTBFOABLAJ-LBPRGKRZSA-N 345.355 1.528 0 40 EDAB CN(C)[C@@H](CNc1ncnc2c1c(Br)nn2C)C1CC1 65566519 GHXBDBIXBBIKKZ-VIFPVBQESA-N 339.241 1.878 0 40 EDAB C[C@H]1CCc2c(sc(N)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 6455801 GCEXZGJFRJFHRJ-DTWKUNHWSA-N 328.459 1.372 0 40 EDAB CN(C)c1cccc(N2C(=S)S[C@H]3CS(=O)(=O)C[C@H]32)c1 5488926 BZUKHUMTXMZIDM-NEPJUHHUSA-N 328.484 1.756 0 40 EDAB CC(C)NC(=O)NC(=O)CSc1nnc(Cc2ccccc2)o1 6543862 KLKSTCDEHIYDAY-UHFFFAOYSA-N 334.401 1.987 0 40 EDAB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc21 6670468 LRWXNOKWPKZESG-UHFFFAOYSA-N 348.336 1.661 0 40 EDAB COCCN1C(=O)[C@@H]2Cc3cc(OC)c(OC)cc3CN2C1=S 4761215 GBDZFYUDLXQVQV-LBPRGKRZSA-N 336.413 1.204 0 40 EDAB COc1ccccc1N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5694353 XEVJEMSDWGTGBO-LLVKDONJSA-N 349.412 1.782 0 40 EDAB CS(=O)(=O)c1nc(C(=O)Nc2ncccc2O)c2ccccn12 67286341 CBONVPUGTOEFTR-UHFFFAOYSA-N 332.341 1.091 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCc2ccccc2F)C1=O 7478982 XIRXCSKFFDRLFK-QGZVFWFLSA-N 333.363 1.205 0 40 EDAB CC(C)c1nnc2n1C[C@@H](NCc1cnc(N3CCCC3)nc1)CC2 97199471 YTUSNHWXKADDPA-HNNXBMFYSA-N 341.463 1.896 0 40 EDAB COc1ccc(CN(C(=O)CN(C)CC(=O)NC2CC2)C2CC2)cc1 7793132 OMMDGSFGMMPUGL-UHFFFAOYSA-N 345.443 1.397 0 40 EDAB C[C@]1([C@@H]2CCCN(Cc3nc4ccccc4o3)C2)NC(=O)NC1=O 72300787 ZSVQBOCYTMNGDY-PIGZYNQJSA-N 328.372 1.638 0 40 EDAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1ccccn1 96117519 YVRQOJPHIFGLRS-AWEZNQCLSA-N 338.367 1.573 0 40 EDAB O=S(=O)(Cc1ccon1)N1CCN(c2ccc(F)cc2)CC1 78050837 KEARSXAXCDVYOT-UHFFFAOYSA-N 325.365 1.466 0 40 EDAB Cn1nc2c(cc1=O)CN(CC(=O)N(C1=CCCCC1)C1CC1)CC2 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1.463 0 40 EDAB O=C(CN1C[C@@H](O)C[C@@H]1C1CCCCC1)NC(=O)NCc1ccco1 71907861 SETRNCHIDAJXKM-GOEBONIOSA-N 349.431 1.621 0 40 EDAB Cc1cccc(NC(=O)[C@H]2CCCN(CCc3nnc(N)s3)C2)n1 97373546 FHADHCKGOAWMCU-LBPRGKRZSA-N 346.460 1.717 0 40 EDAB C[C@H]1CCC[C@@H](C)CN1C(=O)c1ccc(CNS(C)(=O)=O)o1 84691676 LIMITAPCMQGTIE-NEPJUHHUSA-N 328.434 1.980 0 40 EDAB Cn1cc(CNc2ccc(CCN3CCC(C(N)=O)CC3)cc2)cn1 95428917 PQJLFERJXSSEMG-UHFFFAOYSA-N 341.459 1.772 0 40 EDAB Cn1cc(-c2cnc3c(N4CCN(CC5CC5)CC4)nccn23)cn1 306129407 ICDPVKHYYLUVTM-UHFFFAOYSA-N 337.431 1.662 0 40 EDAB CS[C@@H](CO)[C@H](C)NC(=O)CCCc1nc(C(C)(C)C)no1 95426675 PHTZFQREGWZMCD-QWRGUYRKSA-N 329.466 1.918 0 40 EDAB O=C(Cn1cnnn1)NCCc1ccc(Oc2ccccc2)c(F)c1 84838312 KGYVLGZDZMFGBJ-UHFFFAOYSA-N 341.346 1.963 0 40 EDAB O=S(=O)(c1cncc(F)c1)N(CCO)[C@H]1CCc2ccccc21 95972879 DIJUUGKRYQZFAY-INIZCTEOSA-N 336.388 1.891 0 40 EDAB O=S(=O)(c1cn[nH]c1)N(CCO)c1ccc(Br)cc1 95965575 RKDPOSDGIMAVTQ-UHFFFAOYSA-N 346.206 1.360 0 40 EDAB COC(=O)[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)c(F)c1 89390695 YMPDADHHMJHIHI-ZYHUDNBSSA-N 328.727 1.088 0 40 EDAB CCS(=O)(=O)N1CCCN(C(=O)CCc2cccc(F)c2)CC1 75019240 RAFAZCQLXKUBLG-UHFFFAOYSA-N 342.436 1.642 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N1CCSCC1 75121660 BFCVRCBYUVIVKZ-UHFFFAOYSA-N 330.413 1.258 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCCN2CCCC2)c1 61547376 DYBMSBYQUFNEKC-UHFFFAOYSA-N 339.461 1.153 0 40 EDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccccn1 35388669 MASWAICCANJEFW-BORJPKMPSA-N 349.383 1.248 0 40 EDAB O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccon1 188975599 ZHQJNWXIRSWSOD-AWEZNQCLSA-N 335.310 1.874 0 40 EDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375326 CUZJTCOREIJEIC-CJRVDHQOSA-N 345.374 1.365 0 40 EDAB CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1F 77844673 CYPOXXCMALCNGD-GLEZIHRCSA-N 332.322 1.956 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)CO 218206850 PLZZNICIVUHIIE-UTUOFQBUSA-N 334.235 1.039 0 40 EDAB COC[C@@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218466702 OGGRRYXSGGBLQV-GVXVVHGQSA-N 333.862 1.769 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@@](O)(c1ccccc1)C1CC1 70968496 KPWIMZJCRAXVLE-GOSISDBHSA-N 344.436 1.778 0 40 EDAB CCOC[C@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(C)cc1 218442963 DYGAXBMARXIJLH-KCQAQPDRSA-N 327.471 1.814 0 40 EDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)NCc2ccc(F)cc2)n1 40802969 MAHLWJOPTACBPN-UHFFFAOYSA-N 343.767 1.603 0 40 EDAB Cc1ccc(=O)n([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)n1 44395316 SZNPVXNCLDOOCY-HNNXBMFYSA-N 326.400 1.462 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1csc(-c2ccc(F)cc2)n1 48232231 LWMQOBCKGQHUII-NSHDSACASA-N 340.401 1.866 0 40 EDAB COc1ccc(NC(=O)N2CC[C@H](N3C(=O)COC3=O)C2)c(OC)c1 225703217 KBXIMVPGZUYIOV-JTQLQIEISA-N 349.343 1.289 0 40 EDAB CCOc1ccccc1NC(=O)C[C@H]1Cn2nc(C)nc2NC1=O 40386676 IQTFKNBYUSGTFJ-NSHDSACASA-N 329.360 1.582 0 40 EDAB Cc1cc(C[C@H](C)NC(=O)N2CCCN(C(=O)C3CC3)CC2)n[nH]1 132873415 TWDWRADPOAMNRI-LBPRGKRZSA-N 333.436 1.303 0 40 EDAB Cc1cc(C(F)(F)F)ccc1CNCC1CN(S(C)(=O)=O)C1 225502779 VSMMZKGCONEMEO-UHFFFAOYSA-N 336.379 1.995 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccccc2)s1 225885001 ADOJUCDPWXFANR-SECBINFHSA-N 340.430 1.926 0 40 EDAB C[C@@H]1CCC[C@H]1NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 131975887 AUJUEXTVULPONG-ZYHUDNBSSA-N 343.415 1.626 0 40 EDAB C[C@H]1CN(CCN(Cc2ccccc2)S(C)(=O)=O)CC[C@H]1O 225401176 DMKDPPMSNMKNSM-GOEBONIOSA-N 326.462 1.151 0 40 EDAB C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H](C)C(=O)N1CCOCC1 96430762 QZFRGYMNCNYVEK-KBPBESRZSA-N 336.407 1.758 0 40 EDAB C[C@@H](CN1CCOCC1)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 91583929 NSSYUFCAJSNTCA-STQMWFEESA-N 337.386 1.098 0 40 EDAB Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 96043286 OGDWLSIKFURXJF-QGTPRVQTSA-N 345.443 1.987 0 40 EDAB C[C@H](Cc1ccccc1Br)NC(=O)CCS(C)(=O)=O 96471238 GARYMFDOBWSDIJ-SNVBAGLBSA-N 348.262 1.931 0 40 EDAB O=C([C@H]1CCCO1)N1CCC2(CC1)Cc1ccccc1CNC2=O 96243378 BSKPXMSGYQVDSG-MRXNPFEDSA-N 328.412 1.647 0 40 EDAB C[C@H]1CCN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)C[C@@H]1O 96494200 JAGHPJKUSBMKPV-ZANVPECISA-N 338.770 1.903 0 40 EDAB CCS(=O)(=O)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96224341 IBXAHPSNFMSJGW-MRXNPFEDSA-N 337.445 1.246 0 40 EDAB O=C(c1ccncc1)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 96202328 BVVLCNMOOJRKPC-GOSISDBHSA-N 339.399 1.241 0 40 EDAB c1cnc(N2Cc3nccn3C[C@@H](COCCN3CCCC3)C2)nc1 96066863 SWMTXRRBYLUWHA-MRXNPFEDSA-N 342.447 1.422 0 40 EDAB CCNC(=O)N1C[C@H](OCc2nc3ccc(OC)cc3[nH]2)[C@H](F)C1 96112067 CHFHQMAOUOPEAA-RISCZKNCSA-N 336.367 1.840 0 40 EDAB biogenic,in-vitro O=C1CO[C@@H]2CN(Cc3ccsc3)C[C@H]2N1Cc1ccncc1 96054266 FJSHDNYOXCCTTL-HZPDHXFCSA-N 329.425 1.755 0 40 EDAB CC(C)C(=O)N1CCN(Cc2ccsc2)C[C@@]2(CC(=O)N(C)C2)C1 96036051 XWVPZAITTFDNML-SFHVURJKSA-N 349.500 1.897 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CCc2c(F)cccc21 96444662 QPZKIXVGLFXLAJ-AWEZNQCLSA-N 328.409 1.601 0 40 EDAB O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1cccnc1)N1CCCC1 96041673 YBTATMWMFCCZSJ-YQVWRLOYSA-N 345.443 1.452 0 40 EDAB Cc1cccc2c1OC[C@@H](NC(=O)N1CCOCC(F)(F)C1)C2 581045677 IJQKABIBMHYDDZ-ZDUSSCGKSA-N 326.343 1.976 0 40 EDAB O=C1NCCN1C(=O)N1CC[C@H](Oc2cccc3cccnc23)C1 238916717 SPNHERRHNGSURP-ZDUSSCGKSA-N 326.356 1.833 0 40 EDAB COCCNc1ccnc([C@H]2COCCN2C(=O)c2cccs2)n1 96217570 HOMZCSMCQJPXLG-GFCCVEGCSA-N 348.428 1.810 0 40 EDAB Cc1nn(CCO)c(C)c1CNCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 97159770 SRWKOFUGPOLERA-ZIAGYGMSSA-N 338.496 1.470 0 40 EDAB Cn1cc(CN2CCC3(CC2)C[C@@H](c2ccncc2)C(=O)N3)cn1 96199538 NECQLVSNZLJEPB-INIZCTEOSA-N 325.416 1.453 0 40 EDAB Cc1ccc(CN2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)o1 96185494 ZACGPJULOWWTHL-JLJPHGGASA-N 345.399 1.843 0 40 EDAB O=C1NC2(CCN(C(=O)c3cscn3)CC2)C[C@H]1c1cccnc1 96069578 TVZAORGGUDGKTG-ZDUSSCGKSA-N 342.424 1.817 0 40 EDAB Cc1cc(O)nc([C@@H](C)N2CCO[C@H](Cn3nc(C)cc3C)C2)n1 248722384 HATGCDRRUXJJJX-CABCVRRESA-N 331.420 1.766 0 40 EDAB Cc1ccnn1CCC(=O)N(C)C[C@]1(O)CCN(c2ccccn2)C1 257272646 NDGPKGOCVRAEAY-GOSISDBHSA-N 343.431 1.076 0 40 EDAB O=C(c1ccc(F)cc1F)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257230611 GDBHRMTYSNZIBB-ZIAGYGMSSA-N 346.324 1.881 0 40 EDAB COc1ccccc1[C@H]1Cn2ccnc2CN1C(=O)CCC(=O)O 257341970 ZMPHSXNNLDISOX-CYBMUJFWSA-N 329.356 1.840 0 40 EDAB CNC(=O)[C@H]1CN(Cc2cccs2)CCN(C2CCOCC2)C1 257252035 JTHUNSFQDKVJSS-AWEZNQCLSA-N 337.489 1.407 0 40 EDAB COCCC(=O)N1CCC[C@@H](c2cncc(-c3cnc(C)n3C)n2)C1 257336117 YNGNEEJUXIKTLP-CQSZACIVSA-N 343.431 1.928 0 40 EDAB O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@H](c2cnccn2)C1 257224473 FBZDAWNDWPFKGK-HNNXBMFYSA-N 336.355 1.271 0 40 EDAB COCCC(=O)N1CCC[C@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1 257337989 YVIGNJDDUIFMOT-ZDUSSCGKSA-N 329.404 1.918 0 40 EDAB COCC(=O)N1CCC(Cc2cncc(-c3cnc(C)n3C)n2)CC1 257206061 BBQFYONQKYWPLO-UHFFFAOYSA-N 343.431 1.613 0 40 EDAB CCn1cc(C(=O)N2CCC[C@H]2c2cccc(CNC(C)=O)n2)cn1 257245623 IQJDWGJFYYLSBR-KRWDZBQOSA-N 341.415 1.911 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)CCOc2ccccc2)CCN1C(C)C 257313491 USTJROJUQXUIQJ-MRXNPFEDSA-N 333.432 1.123 0 40 EDAB C[C@H](C(=O)N1CCC(c2cnc[nH]2)CC1)n1cnc2c(N)ncnc21 612063992 OPUGWGJZZQUGET-SNVBAGLBSA-N 340.391 1.099 0 40 EDAB C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NCc1nn[nH]n1 602164853 GRDAWOGEODDGKT-LLVKDONJSA-N 338.371 1.674 0 40 EDAB COCc1cccc(S(=O)(=O)N(C)CCN2CCCC2=O)c1 602895143 HOVUNNZTOODVSC-UHFFFAOYSA-N 326.418 1.076 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NCC[C@H](O)c1ccoc1 90613116 NJYCSRBFNZFIKS-LBPRGKRZSA-N 329.349 1.829 0 40 EDAB COCCn1ncc2c1[C@H](NC(=O)c1c(Cl)cnn1C)CCC2 1615557517 PCUMDUIKEBGECU-GFCCVEGCSA-N 337.811 1.724 0 40 EDAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 563351710 NBVLCVGFQCTFAQ-SPWCGHHHSA-N 339.413 1.342 0 40 EDAB CCn1cc(-c2noc(CNC(=O)c3c(C)nn(C)c3C)n2)cn1 390832390 ZEKZXOXKSLPFPU-UHFFFAOYSA-N 329.364 1.233 0 40 EDAB C[C@H](Sc1n[nH]c(CO)n1)C(=O)NCCc1c[nH]c2ccccc12 571842514 JGVCHEODZUIOJS-JTQLQIEISA-N 345.428 1.618 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575405643 SZRFWCFXXKUVTA-AWEZNQCLSA-N 342.486 1.896 0 40 EDAB CN(CC(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1)C1CCCC1 585278704 QZPLFQDHMBAASL-FQEVSTJZSA-N 346.471 1.693 0 40 EDAB CNC(=O)C1=NO[C@@]2(CCCN(c3cc(C(F)(F)F)ncn3)C2)C1 585101289 VDLZUIHTAYEHAP-ZDUSSCGKSA-N 343.309 1.357 0 40 EDAB O=C(c1ccc(F)c(F)c1)N1CC2(C[C@@H](CO)CN2CC2CC2)C1 585093876 MEZZCCYKDQTTMO-CYBMUJFWSA-N 336.382 1.884 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1ccc(F)cc1)C2 585102934 JJLVTJWYIDDMGT-CQSZACIVSA-N 327.421 1.851 0 40 EDAB COc1ccc2oc(C)c(C(=O)NC[C@@H]3COC[C@@H](OC)[C@H]3O)c2c1 585285662 QHTBAWIVWDGTGY-JGFGOQIWSA-N 349.383 1.502 0 40 EDAB O=C(C1CC(F)C1)N1C[C@@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 585107858 WAANGLUKVBYWBF-LBDPXKHJSA-N 331.391 1.637 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(n2ccnn2)CC1 155577151 NVXZLLYQVWEBOQ-UHFFFAOYSA-N 327.344 1.050 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccnc(-n2cncn2)c1)c1ccsc1 54675920 QLCIQNOWXZMIOV-CQSZACIVSA-N 342.428 1.757 0 40 EDAB CCN(CCCNC(=O)Nc1ccnn1C(C)C)S(C)(=O)=O 56560316 BXKBGYMKHSBSAH-UHFFFAOYSA-N 331.442 1.257 0 40 EDAB CC(C)[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCN(CC(C)(C)O)CC1 69703049 RPOFNUAHKDIMMA-JKSUJKDBSA-N 342.480 1.122 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCCN([C@@H]2CCSC2)CC1 1565521862 DNAFLMUVNMLOIT-PBHICJAKSA-N 348.468 1.866 0 40 EDAB CC(=O)c1c(C)cc(C)c(CN(C)C[C@@H](O)CN2CCOCC2)c1C 75107701 NUKHGFHGEDSFGC-GOSISDBHSA-N 348.487 1.939 0 40 EDAB COC(=O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H]1c1ccc(F)cc1 12157268 TVRVZMFMFVAPFT-CFVMTHIKSA-N 348.374 1.019 0 40 EDAB O=C(Nc1ccccc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCCC2)[C@H]1O 12529625 FLHFCMDMRMNUGT-OVYGPGRDSA-N 347.415 1.147 0 40 EDAB biogenic,in-vitro Cc1ccc(Cl)cc1NC(=O)C[C@H]1SC[C@H](C(=O)O)NC1=O 13636944 CDRJXXJUFITDOF-GHMZBOCLSA-N 342.804 1.662 0 40 EDAB CC(C)(C)OC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 14674404 BPPHQSNPENPQDY-UHFFFAOYSA-N 349.792 1.486 0 40 EDAB COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 16641106 WNAAJRGFHTUELJ-NSHDSACASA-N 346.474 1.300 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nnc2n1CCNCC2 19706372 YCFIVRHRCQUIOP-HNNXBMFYSA-N 343.406 1.469 0 40 EDAB COCC(=O)N1CCC[C@H]1c1c(CN(C)C)cnc2cc(C)nn12 19743524 SPZWAJBJQYNBBW-AWEZNQCLSA-N 331.420 1.409 0 40 EDAB C[C@H](CNC(=O)Cc1cc(Br)ccc1F)c1nnn[nH]1 153474921 GEXTZELJQMFCPK-SSDOTTSWSA-N 342.172 1.564 0 40 EDAB Cc1cc(N2CCC[C@@H]2CNC(=O)C2(C)CCOCC2)nc(C)n1 1100846743 CCBBHLWDIXKWNO-OAHLLOKOSA-N 332.448 1.995 0 40 EDAB Cc1ccc(N2CC(N(C)C(=O)[C@H]3CCc4ccccc4O3)C2)nn1 1888856801 PGXSBUZRPVVDJE-QGZVFWFLSA-N 338.411 1.826 0 40 EDAB CSc1nccc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)n1 1888866630 PXLKMAPLJSBVEZ-CHWSQXEVSA-N 340.408 1.824 0 40 EDAB Cn1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)cc1=O 27935918 YLDZLQZIJWOBIA-UHFFFAOYSA-N 339.439 1.822 0 40 EDAB Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1Cl 27931082 HZWMBAPFYKMZEN-UHFFFAOYSA-N 329.765 1.281 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O 32409222 DYMHNMQUKDKUBX-HNNXBMFYSA-N 348.399 1.735 0 40 EDAB Cc1ccc(OCC2CCN(c3cc(C)nc4ncnn34)CC2)nn1 1775986169 YRUNTOOBTZGSQE-UHFFFAOYSA-N 339.403 1.827 0 40 EDAB O=C(NCc1nnc2c(O)nccn12)c1ccc(Cn2ccnc2)cc1 238816630 BPRZBGNJXBEGPE-UHFFFAOYSA-N 349.354 1.005 0 40 EDAB Cc1ncc(C(=O)N2CC3(C[C@H](N4CCCCC4)CS3)C2)cn1 2056224450 QYQKLVFYCNEIDW-HNNXBMFYSA-N 332.473 1.971 0 40 EDAB CCOCCC(=O)N1C[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2C1 2056224680 PIARPNCEYBMPSF-GJZGRUSLSA-N 339.461 1.290 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)CC1=O 1565554047 QCWPMOMRAMXXPI-KBXCAEBGSA-N 347.415 1.279 0 40 EDAB C[C@H](C(=O)Nc1cccc(F)c1)N1C(=O)c2ccccc2S1(=O)=O 4940709 XRMHQGMHFCWCIP-SNVBAGLBSA-N 348.355 1.997 0 40 EDAB CSc1nccc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)n1 2086889386 QITVOOQPXQMXRR-UHFFFAOYSA-N 342.490 1.591 0 40 EDAB Cc1ccnc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086881871 RWEAUHPPISWBGB-GFCCVEGCSA-N 326.347 1.248 0 40 EDAB O=C(CN1C(=O)CCC1=O)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148980 OVMBMJRONOSMOZ-CQSZACIVSA-N 328.368 1.086 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCC[C@H](Oc3ncccn3)C2)cc1 575613152 PFENGTATBDPJLV-HNNXBMFYSA-N 341.367 1.947 0 40 EDAB CCOC(=O)CNC(=O)CSc1nc(-c2ccccc2)ns1 4167285 IMYZICUPWQQQJT-UHFFFAOYSA-N 337.426 1.977 0 40 EDAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(N)=O)c1 6642259 JGXHIHIXFGOQGH-MNEFBYGVSA-N 348.443 1.857 0 40 EDAB biogenic COC(=O)c1cccc2c1CCCN2C(=O)[C@H]1CCS(=O)(=O)C1 40040682 UZHLJIPGXLTPIY-NSHDSACASA-N 337.397 1.187 0 40 EDAB O=C(N[C@@H]1Cc2ccccc2[C@@H]1N1CCOCC1)N1CCOCC1 20218855 NHHNYJOAJUCCLR-SJORKVTESA-N 331.416 1.026 0 40 EDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(F)c(Cl)c1 40540031 XLDUKZQWENWDHW-UWVGGRQHSA-N 349.811 1.937 0 40 EDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(C[C@H](O)c2ccco2)CC1 69538700 IDOSDADMKKBCIX-JSGCOSHPSA-N 332.404 1.952 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H](n4ccnc4C)C3)nc2n1 69659211 PXOKPMMFXZZWQY-AWEZNQCLSA-N 339.403 1.723 0 40 EDAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3COCCO3)c2C)no1 46312925 YDMCRZOYBLURGB-HNNXBMFYSA-N 348.355 1.532 0 40 EDAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCOCC1 2632946 BCVGFPSQZFKPQG-UHFFFAOYSA-N 333.171 1.591 0 40 EDAB CC(C)c1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O 32689134 ZFTPYIGZLDZCGN-UHFFFAOYSA-N 329.356 1.702 0 40 EDAB O=C(NCCc1cccnc1)C1CCN(C(=O)N2CCCC2)CC1 60502152 MQXPCGHXWRPKCK-UHFFFAOYSA-N 330.432 1.668 0 40 EDAB CCN1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 41184641 RZFGMHPAPOKUDP-UHFFFAOYSA-N 332.379 1.972 0 40 EDAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4512367 GCGMPWGQRXTVMA-WALBABNVSA-N 343.379 1.983 0 40 EDAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6326331 MSMIZOAMTBLZQC-UHFFFAOYSA-N 342.461 1.914 0 40 EDAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)NC1CC1 7088966 GMHCBJUNINMWFJ-LBPRGKRZSA-N 333.369 1.953 0 40 EDAB COc1ccc(CCNC(=O)CCNC(=O)c2ccco2)cc1OC 7814410 FKHXNDMVTIQFRP-UHFFFAOYSA-N 346.383 1.776 0 40 EDAB C[C@@H](CNC(=O)CNC(=O)c1ccc(F)cc1)N1CCC[C@@H](C)C1 32931422 FWZGZLZAIYVJRE-KGLIPLIRSA-N 335.423 1.792 0 40 EDAB O=C(OCn1nnc2ccccc2c1=O)c1ccc2c(c1)OCO2 428864 ZRBRBLVPTGFZBL-UHFFFAOYSA-N 325.280 1.335 0 40 EDAB CC1CCN(CCNC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)CC1 46955876 OOMVIMXALQPMOJ-HNNXBMFYSA-N 345.443 1.649 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)NCc2cccc(S(N)(=O)=O)c2)C1 47033477 WGTWCZIVULDRQO-TXEJJXNPSA-N 325.434 1.522 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 69741956 RUGOIWGZGOZWHF-ZDUSSCGKSA-N 345.447 1.535 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCCc3ccccn3)CC2)no1 53517823 NBQJLDZVSHTOJA-UHFFFAOYSA-N 329.404 1.448 0 40 EDAB O=C1C[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCC4)n[nH]2)CCN1 97021300 JXOYSXFLKQTIAB-ZDUSSCGKSA-N 325.372 1.425 0 40 EDAB O=C(CCC(=O)N1CCOc2ccccc21)NO[C@@H]1CCCCO1 69874191 SCZSYJYXWMIYMP-QGZVFWFLSA-N 334.372 1.767 0 40 EDAB Cn1/c(=N\C(=O)[C@@H]2CSC(C)(C)C(=O)N2)sc2ccccc21 104716104 MIIUFJKMJMWVQQ-OHTIZWCHSA-N 335.454 1.677 0 40 EDAB O=C(C1CCN(Cn2cnc3ccccc32)CC1)N1CCOCC1 42912790 LIWUTRWFFURWFF-UHFFFAOYSA-N 328.416 1.565 0 40 EDAB NC(=O)[C@@H]1CN(c2cnc3cc(Cl)c(Cl)cc3n2)CCO1 97082428 TYSLZTHBZONJPN-NSHDSACASA-N 327.171 1.627 0 40 EDAB CC(=O)NCCNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 43140752 SSTNIDMKGUJORH-ZDUSSCGKSA-N 330.388 1.853 0 40 EDAB O=C(CCOc1ccc(F)cc1)NCCc1nnc2ccccn12 24750373 TYZHEDQMKLOVJN-UHFFFAOYSA-N 328.347 1.996 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Oc1ccc(F)cc1 101375147 JNRORLUEXNJJDR-CDSWZMAWSA-N 341.338 1.784 0 40 EDAB CCNC(=O)N1CCC(NC[C@]2(O)CCCc3ccccc32)CC1 97033758 NEGLELRACOGFIM-LJQANCHMSA-N 331.460 1.994 0 40 EDAB COc1ccc([C@@H](CNC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)N(C)C)cc1 106712836 ZPLXMYRPBNYYBO-RBSFLKMASA-N 334.416 1.771 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCCC2)nc1 48083346 LLOWGSHUETYBPU-LBPRGKRZSA-N 338.433 1.238 0 40 EDAB Cc1nnc(CN(C)CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)n1C 72271070 VNYNYDLTZGEORC-LLVKDONJSA-N 345.403 1.161 0 40 EDAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 56073209 LPYHCPADQANWHA-MJBXVCDLSA-N 347.481 1.420 0 40 EDAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H]1CCN(C(N)=O)C1 76066061 WDESPJWLMGILSO-LBPRGKRZSA-N 347.806 1.717 0 40 EDAB CCOC(=O)N[C@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 48287434 AHJZEKXAVJRBEA-NSHDSACASA-N 336.417 1.467 0 40 EDAB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CCN2CCOC2=O)C1 72230330 QGRSIHBNECCNHE-ZDUSSCGKSA-N 327.425 1.770 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)NCc2ccccc2Br)CCO1 43706776 ZCFVNTFQXVJPID-NSHDSACASA-N 343.177 1.444 0 40 EDAB COc1ccc(CCNC(=O)[C@@H](C)N2CCN(C)C[C@@H]2C)cc1OC 107580732 ZJHZJLKPHKREJS-LSDHHAIUSA-N 349.475 1.387 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)C[C@@H]1C 107502358 SWWGXZNYMLDXSX-QWRGUYRKSA-N 340.807 1.596 0 40 EDAB CCN(Cc1ccccc1)C(=O)CN1CCO[C@H](c2nc(C)n[nH]2)C1 76047968 MRMPVFGVHKPUOF-INIZCTEOSA-N 343.431 1.535 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NCC(=O)NC(N)=O 57841759 KVNMJAVPRLCYPE-TXEJJXNPSA-N 346.431 1.720 0 40 EDAB Cc1ccc(C)c(SCC(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1 72292888 QXDYHKAEFZVXKJ-ZDUSSCGKSA-N 342.486 1.675 0 40 EDAB CC1CCN(C(=O)CS(=O)(=O)c2nccn2-c2ccccc2)CC1 58102902 IBAXCMGFXDJDEP-UHFFFAOYSA-N 347.440 1.905 0 40 EDAB CC[C@@H]1CN(C(=O)COc2ccc(C(=O)NC3CC3)cc2)CCO1 58201686 YTQBPGKAXAEOID-OAHLLOKOSA-N 332.400 1.595 0 40 EDAB COc1ncccc1CNC(=O)NC[C@H](C)N1C[C@H](C)O[C@@H](C)C1 44914770 WXDYBLFLKDEBFV-IHRRRGAJSA-N 336.436 1.387 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccccc2OCC(N)=O)n1 44953328 RZRHRRYBGXLKME-LBPRGKRZSA-N 344.415 1.430 0 40 EDAB COC(=O)c1cc(-c2cccnc2)nc2c1c(=O)[nH]c(=S)n2C 36617073 LTSDFRQBNZLEKL-UHFFFAOYSA-N 328.353 1.840 0 40 EDAB CCn1cc(S(=O)(=O)NC[C@@H](C)Cn2nccc2C)c(C)n1 36614646 ZZGURFJLLNWWSN-LLVKDONJSA-N 325.438 1.331 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 11332134 ANBXRKOMENNCKP-CYBMUJFWSA-N 349.362 1.552 0 40 EDAB C[C@@H](NC(=O)NCc1cccnc1N1CCOCC1)[C@H]1CCCO1 45682334 JIHVBTTZERLQEY-UKRRQHHQSA-N 334.420 1.285 0 40 EDAB COc1cc(NC(=O)CN2CCC(O)CC2)c(OC)cc1Cl 12883730 CJYMUCIHLWMWJI-UHFFFAOYSA-N 328.796 1.752 0 40 EDAB CC(C)C[C@H]1NC(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)C1=O 3597126 YAVBKFMDNIQBDH-BXUZGUMPSA-N 335.379 1.969 0 40 EDAB CO[C@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)C1 69918664 KIPGXZMBJRVYFO-STQMWFEESA-N 328.478 1.962 0 40 EDAB Cc1cc(N2CCCC2)ccc1NC(=O)CN1C(=O)CN(C)C1=O 18218051 CCBBYFNIYOTFKM-UHFFFAOYSA-N 330.388 1.428 0 40 EDAB Cc1nnc(SCC(=O)NC(=O)NC(C)C)n1-c1ccccc1 6109136 GGYAPLXIMCWXGM-UHFFFAOYSA-N 333.417 1.902 0 40 EDAB Cc1ccc(N2CC[C@H](C(=O)Nc3ccc[nH]c3=O)C2=O)cc1C 65474878 IFBHJHATKIWNHX-CQSZACIVSA-N 325.368 1.983 0 40 EDAB O=C(Cc1csc(-c2nc[nH]n2)n1)NCCOc1cccc(F)c1 65538117 XZDRLAAADYZJTL-UHFFFAOYSA-N 347.375 1.805 0 40 EDAB O=C(COCC(=O)N[C@@H]1CCc2ccccc21)NCc1cccnc1 65565754 AJZUBIZTJQSBOX-QGZVFWFLSA-N 339.395 1.518 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 65554659 VRFUPYNOFPEDDP-DLBZAZTESA-N 345.443 1.764 0 40 EDAB CC(C)(O)[C@@H]1CCCN1C(=O)NCCn1c(=O)oc2ccccc21 97114558 IIWAPILLVHFEHF-AWEZNQCLSA-N 333.388 1.539 0 40 EDAB C/C(N[C@H]1CCCC[C@@H]1N)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 19361585 AVYJCAHDYPQLRZ-YDKPKVKMSA-N 348.447 1.531 0 40 EDAB CCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)OC)c1 14202451 GPPLPZXAGBWHHE-UHFFFAOYSA-N 344.433 1.797 0 40 EDAB O=C(O)COCC(=O)Nc1ccc(C(=O)Nc2ccccn2)cc1 6659294 WVVCCYSYOPTJLN-UHFFFAOYSA-N 329.312 1.374 0 40 EDAB COc1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21 6679496 KFNGZXNRYMXDTQ-UHFFFAOYSA-N 345.380 1.409 0 40 EDAB CCCCN(C(=O)C1CCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O 7795921 XVXRLDDMSANXQZ-UHFFFAOYSA-N 336.436 1.852 0 40 EDAB CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2O)CC1 80930558 DRSGPINRVUYEMF-AWEZNQCLSA-N 333.432 1.311 0 40 EDAB Cc1oc(-c2ccccc2)nc1C(=O)NC1CCN(CC(N)=O)CC1 71795926 YWYSJIQVXLJTFD-UHFFFAOYSA-N 342.399 1.330 0 40 EDAB C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)C(=O)NC(=O)NC1CC1 69149845 CUIFBZRQNHRPLG-JTQLQIEISA-N 339.417 1.020 0 40 EDAB O=S(=O)(c1ccc(CN2CCCC[C@@H]2CCO)o1)N1CCCC1 69250020 XGRNPHQYBHVLHL-CQSZACIVSA-N 342.461 1.801 0 40 EDAB CNS(=O)(=O)c1ccc(NC(=O)c2ccsc2)cc1OC 70008118 BGHNPGPYASPRII-UHFFFAOYSA-N 326.399 1.917 0 40 EDAB COC(=O)c1ccc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 8392175 WKIWAPRRFOQIKD-UHFFFAOYSA-N 347.371 1.522 0 40 EDAB COc1cc(CNS(=O)(=O)c2cc(F)c(F)cc2F)ccn1 69418971 LAFYTNSKYMCGKN-UHFFFAOYSA-N 332.303 1.986 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(N2CCOCC2)nc1 69489634 PDBNSIWWBDHYJS-SJORKVTESA-N 344.459 1.617 0 40 EDAB O=C(CCc1nc(-c2ccccn2)no1)N1CCN(C2CC2)CC1 71836671 XBKQEEFOFZBYHN-UHFFFAOYSA-N 327.388 1.371 0 40 EDAB Cc1cnn(C2CN(Cc3cc(=O)n4cc(Cl)ccc4n3)C2)c1 71876771 QVXVNRKKGCFQSI-UHFFFAOYSA-N 329.791 1.910 0 40 EDAB CC(C)c1nnc2n1CCN(CC(=O)N1CCc3ccccc3C1)C2 71871963 JHXLXFWAJXQIAL-UHFFFAOYSA-N 339.443 1.802 0 40 EDAB Cc1ccccc1-c1noc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)n1 71864311 PZZKVCTZPLMFSK-HUUCEWRRSA-N 330.432 1.932 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCO[C@@H]2CCCC[C@@H]21 71805022 VNKYVIDSFLPBJK-DOTOQJQBSA-N 327.384 1.567 0 40 EDAB COc1ccc(COCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 83947383 DVJQFSXWVIRPLK-ZWKOTPCHSA-N 348.443 1.269 0 40 EDAB O=C(NC1(c2cc(F)ccc2F)CC1)[C@H]1CC2(CCNCC2)CN1 72119579 FIBHCQWOTQUVAE-OAHLLOKOSA-N 335.398 1.802 0 40 EDAB COc1ccc([C@@H]2[C@H](CNC(=O)c3cnn(C)c3N)CCN2C)cc1 97376058 VKTZWUHYXHWDBU-XJKSGUPXSA-N 343.431 1.434 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1noc2ccccc12 72769465 KZPOCYWFWLZJJP-INIZCTEOSA-N 335.363 1.809 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)N(CC3CC3)CC3CC3)C2=O)cn1 95398416 KHMANLPTTSGAHJ-OAHLLOKOSA-N 331.420 1.357 0 40 EDAB COC(=O)[C@H](NC(=O)Cn1c(C)nc2ccc(F)cc2c1=O)C(C)C 95477243 JBXYNLQBPQTCGL-OAHLLOKOSA-N 349.362 1.158 0 40 EDAB CC(C)(CNC(=O)c1cncnc1-c1ccccc1)NS(C)(=O)=O 95465604 SRWDMMAOBQPMRU-UHFFFAOYSA-N 348.428 1.201 0 40 EDAB COCc1nc(C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)cs1 78901436 USQPPGOWAVTNER-VIFPVBQESA-N 349.416 1.131 0 40 EDAB O=C(NCC1CCOCC1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 85431247 ZYWOZINLDCSKLD-ZDUSSCGKSA-N 338.839 1.889 0 40 EDAB Cc1ccc(Cl)c2ccc(N3CCN4C(=O)C(=O)NC[C@H]4C3)nc12 95985564 HJVAGNNMWKPISD-NSHDSACASA-N 344.802 1.344 0 40 EDAB C[C@@H](c1nnnn1-c1ccccc1)N1CCC[C@H](Cn2ccnn2)C1 95973130 GEAMZLCRXBCZPV-GJZGRUSLSA-N 338.419 1.727 0 40 EDAB CNS(=O)(=O)c1csc(C(=O)N2CCc3ccc(F)cc32)c1 79013145 HOPHJMGCWCNLBT-UHFFFAOYSA-N 340.401 1.998 0 40 EDAB O=C(NCCCN1CCOCC1)c1ccc(Nc2ncccn2)cc1 79483419 VLCNXWCNBZMDQY-UHFFFAOYSA-N 341.415 1.672 0 40 EDAB CC(C)Cc1nc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)n[nH]1 79474072 SUMMOMVIBIFTAF-LBPRGKRZSA-N 329.408 1.648 0 40 EDAB C[C@@H](CNC(=O)c1ccc(-c2ccco2)[nH]c1=O)Cn1cccn1 75125430 KUGQLBGHQUVASB-LBPRGKRZSA-N 326.356 1.898 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 75132198 XEHKTTMGJWVIJJ-OAHLLOKOSA-N 340.431 1.683 0 40 EDAB COCc1cccc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1 89621413 WKIFYMDBXXVJIX-CYBMUJFWSA-N 328.434 1.735 0 40 EDAB Cc1ccc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1Cl 89643335 FGKVVTDZCJMBCQ-LLVKDONJSA-N 330.837 1.660 0 40 EDAB O=C(NCCOC(=O)c1cccc(C2OCCO2)c1)c1ccncc1 89774498 ULRMJLFUOCEZFD-UHFFFAOYSA-N 342.351 1.714 0 40 EDAB CC(C)[C@H]1C(=O)NCCN1c1cc(-c2ccccc2)nc2ncnn12 89801966 KVUUFNCWRUDTFE-INIZCTEOSA-N 336.399 1.752 0 40 EDAB CC(C)n1ncc2cc(NC(=O)N[C@@H]3CCCCNC3=O)cnc21 89893887 ZOCXOZLAGQTRTA-CYBMUJFWSA-N 330.392 1.802 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccc(N3CCNC3=O)cc2)C[C@@H](C)O1 89936677 GRYFQJOSBQHVQE-OKILXGFUSA-N 346.431 1.055 0 40 EDAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(Cc4cc(C)on4)C[C@@H]23)n1 306123642 ASVAHPOWJVNJMF-XIRDDKMYSA-N 344.415 1.997 0 40 EDAB COCCn1cnnc1S[C@@H](C)C(=O)NCc1cccs1 24067756 VYCCNFVGBKWWBA-JTQLQIEISA-N 326.447 1.783 0 40 EDAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cc(=O)cc[nH]1 1551917974 WGMYNAMTJLLWCY-NSHDSACASA-N 333.338 1.909 0 40 EDAB Cc1nc(-c2ccncc2)sc1C(=O)NCCN1CCOCC1 31868053 KWMFXOJCKBJZHH-UHFFFAOYSA-N 332.429 1.576 0 40 EDAB COc1ccc(CC(=O)N[C@H]2Cc3ccccc3NC2=O)cc1OC 30952731 DGHRNAMNEFNMNA-HNNXBMFYSA-N 340.379 1.926 0 40 EDAB COC[C@@H](C)NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 408614843 ITVPBKCAHDWUSJ-CYBMUJFWSA-N 328.434 1.221 0 40 EDAB O=C(NCCn1ncc2c(N3CCCC3)ncnc21)c1ccccc1 38483350 YNBIOFPMVIINCG-UHFFFAOYSA-N 336.399 1.857 0 40 EDAB C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)N(C)Cc1ccc(F)cc1 79100413 YQCQUEFOZKDVSU-STQMWFEESA-N 344.452 1.538 0 40 EDAB CNC(=O)c1cn[nH]c1C1(C)CCN(C(=O)c2cccnc2)CC1 72388892 GXUOPXNCDAYOIM-UHFFFAOYSA-N 327.388 1.358 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O)c1ccccc1 77264369 IXEQJQDSOYOIGU-OAGGEKHMSA-N 332.425 1.396 0 40 EDAB biogenic,in-vitro O=C1[C@@H](N2CCC[C@@H](OCCO)C2)CCN1c1cccc(Cl)c1 195535414 TUQJOEAXSMVSCQ-CVEARBPZSA-N 338.835 1.919 0 40 EDAB O=C(c1ccsc1)N1CCN(C(=O)c2cnn3ccccc23)CC1 75170985 BTMMBWBQFRVDQM-UHFFFAOYSA-N 340.408 1.994 0 40 EDAB Cc1ccc(CN(CC(=O)NCCC(C)C)S(C)(=O)=O)cc1 224053401 HNBCHUIWNBFVGP-UHFFFAOYSA-N 326.462 1.919 0 40 EDAB Cn1nc2c(cc1=O)C[C@H](NC(=O)c1cnc3ccccc3n1)CC2 225787435 FNZBGZINPDQWOK-GFCCVEGCSA-N 335.367 1.011 0 40 EDAB CC(C)(C)n1cc(C(=O)OCc2ccc(-n3ccnc3)nc2)nn1 195580169 IFPPLGXCDHDFTQ-UHFFFAOYSA-N 326.360 1.971 0 40 EDAB CN1C[C@H](NC(=O)c2ccc3nncn3c2)CC[C@@H]1C(F)(F)F 583620032 LICKBDIDDXCFLY-GHMZBOCLSA-N 327.310 1.484 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 96073665 VQMAHXVRIYVMRE-CRAIPNDOSA-N 342.399 1.658 0 40 EDAB CS(=O)(=O)N1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 96070392 ORSKEBYXFBDZJZ-CQSZACIVSA-N 330.475 1.232 0 40 EDAB C[C@H]1CCCCN1C(=O)Cn1cc(I)cn1 96413720 KAMCNDAXFDMEKX-VIFPVBQESA-N 333.173 1.889 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12)c1cnccn1 96185958 HOEIIJPZLZQTRN-BRWVUGGUSA-N 339.399 1.033 0 40 EDAB CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)C1(N2CCOCC2)CCCC1 97101676 CRAVWYAIWUXMQU-HOTGVXAUSA-N 325.497 1.865 0 40 EDAB O=C(NCC1CCOCC1)[C@H]1C[C@H]2[C@H](CCN2Cc2ccoc2)O1 96183661 ZEBOTDIBSRJJHV-YESZJQIVSA-N 334.416 1.554 0 40 EDAB CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@H]([C@@H](C)O)C1 96485677 QNUHVJWEPJBOLB-CRAIPNDOSA-N 332.444 1.697 0 40 EDAB CNS(=O)(=O)c1csc(C(=O)NC[C@H]2Cc3ccccc32)c1 96451187 KZHQLXPAZMDPEC-LLVKDONJSA-N 336.438 1.726 0 40 EDAB CN(CC(=O)NC(N)=O)CC1(c2ccc(Br)cc2)CC1 96421181 JRFXIRLLYZMYHH-UHFFFAOYSA-N 340.221 1.607 0 40 EDAB COCCN1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)cc1)CCO2 96228910 WIRHKMLSQNSPFF-LJQANCHMSA-N 348.443 1.185 0 40 EDAB O=C(c1c(O)cnc2ccccc12)N1CCN(Cc2ccon2)CC1 96466454 NVDDPSVWACXDEX-UHFFFAOYSA-N 338.367 1.886 0 40 EDAB CN(C)C[C@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CCO1 97380119 YFGQNXOQWKVZIL-JTQLQIEISA-N 336.816 1.430 0 40 EDAB CN1C(=O)C2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 96161110 IOZXSFQKTIHJFU-UHFFFAOYSA-N 329.400 1.449 0 40 EDAB CN1CCC(CNC(=O)Nc2cnn(C)c2)(N2CCCCC2)CC1 96433854 WQUMEQQPXIFWNZ-UHFFFAOYSA-N 334.468 1.492 0 40 EDAB COCCN1CCOC[C@]2(CC[C@@H](CN(C)Cc3cccnc3)O2)C1 248021405 FNNWWUWDPQERJP-OALUTQOASA-N 349.475 1.410 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Cn1ncc2ccccc21 245339465 TVCNKOHIJAWQKY-IYVPYFHTSA-N 327.384 1.740 0 40 EDAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)COc1ccccc1C)C2 248115697 IQLYKZSSGAZWPJ-MRXNPFEDSA-N 332.444 1.943 0 40 EDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)c2cnn(C)c2)n1 257331838 XUMAOVDOKYEMNF-OAHLLOKOSA-N 328.420 1.557 0 40 EDAB Cc1cc(C)n(CCNC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)n1 253404749 HYIKDOUFYBPNAE-SHTZXODSSA-N 331.424 1.109 0 40 EDAB O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 585088790 STPHAWVNPAJIHL-ZSYWTGECSA-N 343.471 1.913 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@H]2CCNc1ncc(C)cn1 253600331 KVQFNQXGWJPYBN-CYBMUJFWSA-N 340.449 1.028 0 40 EDAB Cc1cncc([C@@H]2CCCN2C(=O)CN(C)Cc2cccnc2)n1 257282574 OUILAYRBZNIFLQ-KRWDZBQOSA-N 325.416 1.976 0 40 EDAB O=C(c1noc2c1CCCC2)N1CCOC[C@H](Cc2ccncn2)C1 257212825 CFCNXWWSDGTRJQ-CYBMUJFWSA-N 342.399 1.675 0 40 EDAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H]1c1ccnc(O)n1 257261651 LIGVEMXVZMEVKC-CQSZACIVSA-N 336.355 1.740 0 40 EDAB CCCn1nccc1-c1cncc(C[C@@H]2CCN(S(C)(=O)=O)C2)n1 257222091 DRWAFOORHORFNY-ZDUSSCGKSA-N 349.460 1.574 0 40 EDAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)C2CCOCC2)nc1 257252145 JTSGWMQSPLFISU-KRWDZBQOSA-N 331.416 1.808 0 40 EDAB CN(C)S(=O)(=O)N[C@H](c1cncc(Br)c1)C1CC1 252503101 UYJXXLPNXSQMDZ-NSHDSACASA-N 334.239 1.691 0 40 EDAB CC1(c2[nH]ncc2C(N)=O)CCN(CCOc2ccccc2)CC1 257214939 COAISBFOGIXTCS-UHFFFAOYSA-N 328.416 1.941 0 40 EDAB O=C(COc1cccc(F)c1)N1CCO[C@@H](CCc2ccncn2)C1 257250946 JORHOMRZJZQMBX-KRWDZBQOSA-N 345.374 1.855 0 40 EDAB CCS(=O)(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 253491008 KVVHJNISGSUSTK-SGMGOOAPSA-N 346.474 1.489 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)c2ccc3ncccc3c2)CCO1 257318644 VOWDZKBOCSKSMB-OAHLLOKOSA-N 335.367 1.821 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)n1 257296073 RBCKKDRBQRHTCQ-OAHLLOKOSA-N 341.415 1.376 0 40 EDAB Cc1cn(C)c([C@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)n1 257272960 NEQOTWFBGXQRFU-CQSZACIVSA-N 326.466 1.289 0 40 EDAB O=C(O)[C@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 263244090 UKVLAOXABYRRFZ-XIRDDKMYSA-N 345.395 1.718 0 40 EDAB CCCn1c(NC(=O)Cn2cc(C(=O)O)nn2)nc2ccccc21 263325644 KGAHNJPAAGBROL-UHFFFAOYSA-N 328.332 1.375 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](C)N2CCCC2)c1 42507616 RHFBIQBVIKSQRI-ZDUSSCGKSA-N 339.461 1.117 0 40 EDAB O=C(c1ccnc(-n2cccn2)c1)N1Cc2nc(C3CC3)nc(O)c2C1 1614994416 NQKDFSYRVNJMRR-UHFFFAOYSA-N 348.366 1.796 0 40 EDAB NC(=O)c1cccc(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)c1 1615547599 UPHDTTOJAFODQJ-ZIAGYGMSSA-N 327.306 1.057 0 40 EDAB COC(=O)[C@@H]1Cc2ccc(O)cc2CN1CCN1C[C@H](C)O[C@@H](C)C1 1616032783 WZWRBLJENXDPDA-DEYYWGMASA-N 348.443 1.401 0 40 EDAB Cc1ccc(OCC(=O)N2CC(F)(F)C[C@@]3(CCNC3=O)C2)cc1 585093145 FCQIULKJIBCKJL-INIZCTEOSA-N 338.354 1.748 0 40 EDAB O=C(c1cc[nH]n1)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 585109453 QHMNMKIKVHWXHZ-BQFCYCMXSA-N 338.411 1.652 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1cnn(C(C)C)c1)C2 585102776 FIGWYWJGTMAHEI-HNNXBMFYSA-N 341.477 1.490 0 40 EDAB COCCN1CCC[C@@]2(CCCN2C(=O)c2snnc2C)CC1 585099975 BSXAHTBIJGDASO-MRXNPFEDSA-N 338.477 1.954 0 40 EDAB O[C@@H]1[C@@H](NCCCN2CCOCC2)CCC[C@H]1Oc1ccccc1 585289135 MUCFIOOHFNGHPR-IPMKNSEASA-N 334.460 1.659 0 40 EDAB COC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 44723041 JYTATLBHVPRZDX-ZDUSSCGKSA-N 348.374 1.590 0 40 EDAB C[C@@H](NC(=O)CSc1ccc(F)c(F)c1)C(=O)N1CCOCC1 58280954 BIDRASHLGRAZBM-SNVBAGLBSA-N 344.383 1.420 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@H](n3cncn3)C2)c1 72272212 GGKJRGNKCVBDON-HNNXBMFYSA-N 348.428 1.300 0 40 EDAB Cn1cnc(S(=O)(=O)N[C@H](C(=O)O)c2ccc(Cl)c(F)c2)c1 547938949 QEGISXUQRFUCJN-NSHDSACASA-N 347.755 1.317 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCc1nn(C)c2c1CCCC2 96099196 CTAYWQMWAHLBLD-UHFFFAOYSA-N 337.449 1.128 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 96559779 OBRDXLMGJUPKMN-INIZCTEOSA-N 337.441 1.771 0 40 EDAB COC[C@]1(C(=O)OC)CCCCN1S(=O)(=O)c1ccc(C)o1 585129464 KMDIMWKNLDAIJZ-AWEZNQCLSA-N 331.390 1.321 0 40 EDAB CC[C@@H](C)NC(=O)c1nc(O)c2nnn(Cc3ccc(F)cc3)c2n1 5059029 JNNCYZYXSFFASI-SECBINFHSA-N 344.350 1.643 0 40 EDAB CC(C)[C@H](NC(=O)[C@@H]1C=CCN1S(C)(=O)=O)c1cccs1 12200517 WXMLVJRQHJUMHK-AAEUAGOBSA-N 328.459 1.761 0 40 EDAB C[C@@H]1CCc2nn(CCNC(=O)Cc3cccs3)c(=O)cc2C1 12232627 NFCOORAVISGWNS-GFCCVEGCSA-N 331.441 1.789 0 40 EDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@H](C)N)C2)C1 12365953 BHAATZMPNVXBHZ-SCLBCKFNSA-N 331.416 1.136 0 40 EDAB O=C(CN1CCC(O)(c2cccnc2)CC1)N1CCc2ccccc21 13267341 WKDAYZCAGLBZGH-UHFFFAOYSA-N 337.423 1.954 0 40 EDAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(c2ncccn2)CC1 15679286 RINSDYQZNUAHBZ-UHFFFAOYSA-N 334.383 1.829 0 40 EDAB Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1N 5030737 JDWACQXFBMAXKV-UHFFFAOYSA-N 345.409 1.775 0 40 EDAB O=C([C@@H]1CCOC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 575605470 QBWDOCXGGPTZDI-SNVBAGLBSA-N 330.310 1.181 0 40 EDAB C[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-n2cnnn2)cc1 3416547 ZUXOADLFQLFIMY-GFCCVEGCSA-N 329.360 1.220 0 40 EDAB NC(=O)c1cc(OC2CN(c3ncnc4ccc(F)cc34)C2)ccn1 1888906540 LQPGMUOMLWWZTR-UHFFFAOYSA-N 339.330 1.530 0 40 EDAB COc1ccccc1NC(=O)N1CCCN(CC(=O)N(C)C)CC1 27354680 HNOIXBAGKUYYAB-UHFFFAOYSA-N 334.420 1.323 0 40 EDAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNS(C)(=O)=O 1775964117 SIUINAXFHSRIIA-ARLBYUKCSA-N 336.457 1.609 0 40 EDAB biogenic,in-vitro COCC(=O)N1CC[C@@H](N2CCCC2)C[C@]1(CC1CC1)C(=O)OC 2056223241 TWDGDDUIEWTOEG-CRAIPNDOSA-N 338.448 1.432 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 4518022 IVXHDTSMKZOAHO-UHFFFAOYSA-N 344.348 1.226 0 40 EDAB O=C(NCCCN1CCCCC1)N[C@H]1CC(=O)N(c2ccccc2)C1 5123248 RNUUTBMKGOMVDF-INIZCTEOSA-N 344.459 1.967 0 40 EDAB O=C(C1CC(F)(F)C1)N1CC[C@@]2(C[C@H]2C(=O)N2CCOCC2)C1 2055815463 UNNOGFDGYXAIDF-SWLSCSKDSA-N 328.359 1.129 0 40 EDAB CCOc1ccccc1CCC(=O)N1CC(N2C(=O)[C@@H]3C[C@H]3C2=O)C1 585388333 VQUIXIAXXZFANB-HUUCEWRRSA-N 342.395 1.234 0 40 EDAB COCCN1C(=O)CO[C@H]2CN(Cc3cn(C)c4ccccc34)C[C@H]21 67897301 YXQVRHKYWWZYGN-MSOLQXFVSA-N 343.427 1.236 0 40 EDAB biogenic,in-vitro CN(C)/C=C1\C(=O)N(c2ccc(Br)cc2)C[S@]1=O 100255557 IEVLHWMAPWXHCT-DBEXCURXSA-N 329.219 1.905 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCN2CCCC2=O)c2cccnc12 40496159 VONBHJOSUGKDDL-UHFFFAOYSA-N 347.440 1.834 0 40 EDAB CN(C(=O)CCc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 40473642 KPCLHCOFWLRKBC-MRXNPFEDSA-N 347.440 1.450 0 40 EDAB O=C(CCCc1nc(-c2ccccc2)no1)N[C@@H]1CCS(=O)(=O)C1 40474056 WQEWKLRUFRRDHX-CYBMUJFWSA-N 349.412 1.363 0 40 EDAB COc1cc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc(OC)c1OC 100795056 GTAQLJUTQDXTOC-SNVBAGLBSA-N 347.367 1.905 0 40 EDAB biogenic Cc1ccc2nc(C(F)(F)F)n(N3C(=O)[C@H]4C[C@@H]4C3=O)c(=O)c2c1 100892424 DXAWCFDFTPJANM-YUMQZZPRSA-N 337.257 1.365 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c2ccccc21 40553868 YROWVEKJXBXCPW-HOTGVXAUSA-N 329.400 1.510 0 40 EDAB CN(C)c1cc(CNS(=O)(=O)c2ncn(C)c2Cl)ccn1 40512725 MMUREBKPHAHIIR-UHFFFAOYSA-N 329.813 1.013 0 40 EDAB O=c1c(NCc2ccco2)c(N2CCN(c3ccccn3)CC2)c1=O 101709632 MKIYVWCDQXDRPJ-UHFFFAOYSA-N 338.367 1.209 0 40 EDAB CN(CC(=O)N1CCN(c2ccccc2)CC1)Cc1cnn(C)c1 32539817 FJYOSHNPWVNFKQ-UHFFFAOYSA-N 327.432 1.201 0 40 EDAB C[C@H](CN(C(=O)[C@H]1CCCO1)c1ccccc1)NC(=O)[C@@H]1CCCO1 69846334 RWNIZTYVFAPSTC-HYVNUMGLSA-N 346.427 1.882 0 40 EDAB CCCCn1c(SCCNCCO)nnc1[C@@H](CC)N(C)C 2639157 JARUMEMTFKAUOJ-CYBMUJFWSA-N 329.514 1.765 0 40 EDAB Cc1cc(C)n2nc(SCC(=O)NC(=O)c3ccccc3)nc2n1 2631937 FBCSTYKTQQTGBD-UHFFFAOYSA-N 341.396 1.790 0 40 EDAB CCOC(=O)c1ccc[n+](CC[n+]2cccc(C(=O)OCC)c2)c1 1691472 PADFNQKNRLANHI-UHFFFAOYSA-N 330.384 1.315 0 40 EDAB CCOC(=O)C1(C(=O)OCC)[C@@H](C)CC(=O)N1c1ccccc1OC 1753242 VZVYNKHRLJUOOV-LBPRGKRZSA-N 349.383 1.933 0 40 EDAB O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3=O)c(F)cc2c1=O 2540801 UPKKUQMVZIDVBE-UHFFFAOYSA-N 345.330 1.110 0 40 EDAB C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c1ccccc1 4321030 BQCGPMZEBOHHTF-AAEUAGOBSA-N 335.404 1.633 0 40 EDAB O=C(NC1CCN(c2ncccn2)CC1)[C@@H]1COc2ccccc2O1 46609488 ZXQJWYZLGFGFCO-INIZCTEOSA-N 340.383 1.402 0 40 EDAB CC(=O)O[C@H](C)C(=O)OCCCCCOC(=O)[C@@H](C)OC(C)=O 4804941 LNCHADWZXKSXCS-GHMZBOCLSA-N 332.349 1.146 0 40 EDAB CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCC(O)CC1 22007835 ABANKJCJOQEMJY-UHFFFAOYSA-N 333.432 1.468 0 40 EDAB COc1ccccc1OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 41749095 GZCIXOREKSUNFO-UHFFFAOYSA-N 326.308 1.304 0 40 EDAB O=C(NCC(=O)N1CCc2sccc2C1)c1ccc2c(c1)OCO2 12216146 AYWHMMICDHHBLW-UHFFFAOYSA-N 344.392 1.792 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)c1cc(-c2ccccc2)[nH]n1 47122937 KPGRQMCVWAHWEY-UHFFFAOYSA-N 345.366 1.982 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N2CCCN(Cc3ccccc3)CC2)C1 53721372 LFYCZMITAMTECW-LJQANCHMSA-N 343.471 1.979 0 40 EDAB COc1ccc(OC)c(N2C[C@H](C(=O)N[C@H](C)C3CC3)CC2=O)c1 23111386 ITTDZNDJRGBZNJ-DGCLKSJQSA-N 332.400 1.971 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)CCCc3nc(C4CC4)no3)CCO2)n1 76045602 LRPAXVZHFSEXRC-GFCCVEGCSA-N 346.391 1.296 0 40 EDAB CCNC(=O)COC(=O)c1ccccc1SCC(=O)NC(C)C 12423182 PYQCPMNFQOXPFW-UHFFFAOYSA-N 338.429 1.596 0 40 EDAB C[C@H]1CCCN(C(=O)C2CCN(Cn3nnnc3C(C)(C)C)CC2)C1 54471804 GPQMVTCGWLAMMS-AWEZNQCLSA-N 348.495 1.899 0 40 EDAB CN(Cc1cccnc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 42625940 WNEPAWLJROOZAW-UHFFFAOYSA-N 333.369 1.233 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 23861961 URRFSQILNOSCQN-MRVPVSSYSA-N 338.223 1.771 0 40 EDAB COc1ccc(-c2nc(CN(C)[C@H]3CCS(=O)(=O)C3)co2)cc1 42753334 GLAILNSDAADIHF-AWEZNQCLSA-N 336.413 1.969 0 40 EDAB COc1ccc(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)cc1F 43016744 GJFLBTSGMSWJEI-IAGOWNOFSA-N 338.423 1.226 0 40 EDAB Cc1c(C(=O)NCC(=O)NC(C)(C)C)nnn1-c1cccc(Cl)c1 55045648 XBGLMLCRWVAUGO-UHFFFAOYSA-N 349.822 1.874 0 40 EDAB Cc1ncsc1CNC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 76065937 AVCMPSPATKVSHU-LLVKDONJSA-N 328.401 1.982 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 25320854 YMYKVPOVTIISCV-GWCFXTLKSA-N 330.837 1.941 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)NCCc1cn2ccccc2n1 25530205 GBDNKZBEYYRXKY-UHFFFAOYSA-N 343.408 1.710 0 40 EDAB O=C(O)[C@H]1CN(C(=O)/C=C/c2ccc(Br)s2)CCO1 43702326 QKQOWLKBFRXGND-HDMKULJXSA-N 346.202 1.836 0 40 EDAB COc1ccccc1CCNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 25815372 ABYHXHQHZOTNDT-CXAGYDPISA-N 334.441 1.808 0 40 EDAB CC[C@@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccccc1 56973194 AINHOFFRQZCWSD-ZDUSSCGKSA-N 329.404 1.290 0 40 EDAB COCCn1nnnc1[C@@H](C)N1CCN(c2ccccc2F)CC1 57613948 HWLRCHPKHGVLFS-CYBMUJFWSA-N 334.399 1.342 0 40 EDAB Cc1sc(Br)cc1S(=O)(=O)NCC[C@@H](C)N 87308084 UROFWCHXPKFSMJ-ZCFIWIBFSA-N 327.269 1.835 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)Nc1ccc(N2CCOCC2)nc1 48070416 MWYGIABIRKTLAX-CYBMUJFWSA-N 330.392 1.325 0 40 EDAB O=C(CN1CCC[C@H](O)C1)NC1CCN(Cc2ccccc2)CC1 44871139 OGZZYWMKZSRLSA-SFHVURJKSA-N 331.460 1.224 0 40 EDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc2ncccc12 58201421 DUMSGVPSKGBESV-AWEZNQCLSA-N 333.413 1.524 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)Nc2nccn2CC(C)C)cc1 58227497 BKOQXLBVCYGOFE-UHFFFAOYSA-N 336.417 1.700 0 40 EDAB O=C(C1CCCCC1)N1CCN(Cn2nc3ccccn3c2=O)CC1 58247880 ZCAUGKJQHXKVCT-UHFFFAOYSA-N 343.431 1.178 0 40 EDAB O=C(c1ccnc(-n2ccnc2)c1)N1CCN(c2ncccn2)CC1 48297432 VSESAPUGGCNIRS-UHFFFAOYSA-N 335.371 1.020 0 40 EDAB Cc1nc(CN2CCN(c3cncc(-n4cccn4)n3)CC2)cs1 44945217 XXRDQKNFKFHTOI-UHFFFAOYSA-N 341.444 1.749 0 40 EDAB C[C@H](C(=O)NCCc1nccn1Cc1ccccc1)S(C)(=O)=O 44951825 LJFTVZFOOOYEQS-CYBMUJFWSA-N 335.429 1.023 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)NCCc2cc(F)cc(F)c2)C1 58330472 OZQFGRCBKCWNIA-LBPRGKRZSA-N 346.399 1.295 0 40 EDAB CCC[C@H]1CCCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 58379970 ZWWHQLAQMLNJTM-VFNNOXKTSA-N 333.432 1.526 0 40 EDAB COc1cccc(-c2nnn(C[C@@H](O)COCc3ccco3)n2)c1 48229876 ORNIREXVFDBYGZ-CYBMUJFWSA-N 330.344 1.519 0 40 EDAB Cc1ccccc1OCCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 72268923 DLSCNMBRFSVQOB-DLBZAZTESA-N 332.444 1.822 0 40 EDAB CCCS(=O)(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306129462 IDZZCCIWIBUVQW-HNNXBMFYSA-N 340.445 1.429 0 40 EDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cn2cncn2)cc1 11167728 RMFODTRONAKENH-UHFFFAOYSA-N 334.339 1.748 0 40 EDAB O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cccc(F)c1 45684927 UEUYIRSBURPPAU-INIZCTEOSA-N 349.406 1.478 0 40 EDAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CC(=O)N(CC2CC2)C1 45838759 CMUBHLQVBSIDOQ-SECBINFHSA-N 343.305 1.591 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 45810640 NFEJOOLBQPHUDI-LBPRGKRZSA-N 335.452 1.152 0 40 EDAB CN1CCN(c2ccc(CNC(=O)CC[C@@H]3CCCO3)cn2)CC1 48343326 NVIMWYVGCOFOIV-INIZCTEOSA-N 332.448 1.409 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 3456720 PBNPDLHHPMBYIL-INIZCTEOSA-N 337.807 1.975 0 40 EDAB Nc1cc2c(nn1)CCN(C(=O)c1ccn(-c3cccc(F)c3)n1)C2 71860099 KQMVUVWFIIWLIJ-UHFFFAOYSA-N 338.346 1.582 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 3592709 YEBIVULZPMGARC-UHFFFAOYSA-N 338.408 1.256 0 40 EDAB CC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCO3)C1=O 12921649 SBBMMTLFJWPHME-UHFFFAOYSA-N 330.340 1.251 0 40 EDAB CCn1c(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n[nH]c1=S 71846979 MQDXRASRNAEFOI-LLVKDONJSA-N 345.428 1.630 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(OCC(F)(F)F)nc1 71829699 YGOJSCCOKDJUHS-GXSJLCMTSA-N 345.321 1.749 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1cc(Cl)c(Br)[nH]1)C2 71864828 FFJMTFNMNZQCPC-UHFFFAOYSA-N 344.600 1.987 0 40 EDAB NS(=O)(=O)c1cnc(NC[C@H]2COc3ccccc3O2)s1 65530792 BLHDTTZASBEVSF-QMMMGPOBSA-N 327.387 1.042 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)c1ccoc1CN1CCNC(=O)C1 65563178 DTSRUVPJGPMDFP-UHFFFAOYSA-N 345.374 1.623 0 40 EDAB COC(=O)Cc1csc(NC(=O)[C@H](C)S(=O)(=O)C(C)C)n1 65550212 LGJLFHOTZSLFER-QMMMGPOBSA-N 334.419 1.009 0 40 EDAB CC(C)NC(=O)CCS(=O)(=O)Cc1nccn1Cc1ccccc1 65565734 FVWFOJVDBZZIMC-UHFFFAOYSA-N 349.456 1.761 0 40 EDAB NS(=O)(=O)c1ccc(CC(=O)NCc2cccc(Cl)c2)cc1 65607292 JZGGBUUKAJQECK-UHFFFAOYSA-N 338.816 1.846 0 40 EDAB NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 4731592 DYYOTAOYTXCDPB-CYBMUJFWSA-N 329.400 1.905 0 40 EDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nccn1C 4804947 AHKKMQFBLPBLHX-UHFFFAOYSA-N 336.392 1.748 0 40 EDAB C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc2c(c1)OCCO2 6899094 LYBCEOVBDVNJIS-JTQLQIEISA-N 335.312 1.216 0 40 EDAB Cn1c(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cnc2n(C)c1=O 6941385 NWZHCSBORSZLLT-UHFFFAOYSA-N 345.742 1.222 0 40 EDAB Cc1sc2nc(COC(=O)c3ccc[nH]c3=O)[nH]c(=O)c2c1C 15587184 IGRUBBFRKCGOGJ-UHFFFAOYSA-N 331.353 1.647 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)COCc3ccccc3)CCO2)n1 83829908 OGXVMSLAARMTFT-CQSZACIVSA-N 330.388 1.484 0 40 EDAB C[C@H](NC(=O)N1CCN([C@@H](C)c2ccccn2)CC1)[C@@H]1CCOC1 96503156 ZFHHTFRFKUXVPY-HRCADAONSA-N 332.448 1.895 0 40 EDAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ncccn2)CC1 7445911 OSNQVEDKROAJCU-ZDUSSCGKSA-N 336.399 1.596 0 40 EDAB CC(=O)Nc1ccc(CC(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 7511021 LCXDDGRTGLDELE-CHWSQXEVSA-N 348.399 1.367 0 40 EDAB COCCN1CCN(CC(=O)N2CCc3ccccc3C2)C[C@@H]1C 70015616 LDJSBWDGQLXZJE-INIZCTEOSA-N 331.460 1.224 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1F 69348929 GIRUUZXOGZICOA-HNNXBMFYSA-N 336.388 1.342 0 40 EDAB CCOCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 8379015 VTJRQIAMHMCZLP-UHFFFAOYSA-N 340.445 1.173 0 40 EDAB COc1ccccc1CC(=O)N1CCN(C[C@H]2CCCCN2C)CC1 69517065 MQTRSIQCJMJJPZ-GOSISDBHSA-N 345.487 1.866 0 40 EDAB CCc1nc(CCNC(=O)NCCC(=O)N2CCCCC2)cs1 69596333 FZDJZHJPUZFRRV-UHFFFAOYSA-N 338.477 1.950 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)Cc2ccn[nH]2)[C@@H]1c1ccc(Cl)cc1 91769836 HRZADMGGXNEOBX-CJNGLKHVSA-N 332.791 1.694 0 40 EDAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)N(C)CC1CC1 69658245 UEHLCBIEIDXRLM-LBPRGKRZSA-N 339.461 1.195 0 40 EDAB Cc1cn2nc(N3CCCN(Cc4noc(C)n4)CC3)sc2n1 69696975 CHWYGKYARCIBPI-UHFFFAOYSA-N 333.421 1.503 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)CCn1nc2ccccn2c1=O 69620005 IQVGVVPWEXMFAL-CABCVRRESA-N 346.431 1.598 0 40 EDAB Cc1noc([C@H](C)N[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 69624810 NCMWBVPWSCDOPI-GWCFXTLKSA-N 332.408 1.954 0 40 EDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1[C@H](O)C(Cl)(Cl)Cl 18037165 GKEJJXHPPBBOFZ-QMMMGPOBSA-N 342.610 1.319 0 40 EDAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc[nH]c1=O 18047322 RYLKJTURQVTFIL-INIZCTEOSA-N 345.374 1.317 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc(N3CCCC3)nn2)cn1 71799263 FCNOFTFIINRINL-HNNXBMFYSA-N 326.404 1.788 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)COc2cccnc2)c(C)nn1C 72253214 ZAYTUOFCRKWIFY-AWEZNQCLSA-N 330.388 1.875 0 40 EDAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)CN2CSCC2=O)C1 72234659 UPGPPXFYYQOEFJ-CYBMUJFWSA-N 336.461 1.703 0 40 EDAB Cn1cc(Br)cc1C(=O)N1CCC[C@@H](n2cncn2)C1 72299450 TWQUEBKXFSDAPG-LLVKDONJSA-N 338.209 1.856 0 40 EDAB CC(C)N1C[C@@H](NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1=O 72293241 PRYYPHOEVYJEGB-OCCSQVGLSA-N 347.415 1.827 0 40 EDAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCn2c(CO)nnc2C1 72306209 HPTNCRCJFGFZGL-UHFFFAOYSA-N 341.293 1.837 0 40 EDAB Cc1ccccc1-c1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)[nH]n1 78777023 YQMGIWHALHKHJE-CQSZACIVSA-N 328.416 1.524 0 40 EDAB C[C@H](CN1CCCCC1)NC(=O)NCc1ccc(-n2ccnc2)nc1 79060072 JEQCDGWJTWPRTB-OAHLLOKOSA-N 342.447 1.941 0 40 EDAB CC(C)CN(C)C(=O)c1ccc(Br)c(S(N)(=O)=O)c1 87895024 LGBLOKDPICZZQL-UHFFFAOYSA-N 349.250 1.825 0 40 EDAB C[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(S(N)(=O)=O)s1 95396278 OXKXQQWIAPANGI-ZYHUDNBSSA-N 346.474 1.607 0 40 EDAB Cc1cccc(C(=O)N2CCCN(C(=O)NC[C@H]3CCOC3)CC2)c1 95351572 BYSKUBRBCARYCX-MRXNPFEDSA-N 345.443 1.889 0 40 EDAB COC(=O)[C@H](CNC(=O)c1cn(C)nc1C)Cc1ccccc1F 95396712 IDJIFMJXONJDQZ-ZDUSSCGKSA-N 333.363 1.629 0 40 EDAB CN1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1=O 95421929 RVBSXHJOILXPJX-NWDGAFQWSA-N 329.322 1.690 0 40 EDAB COC(=O)CNC(=O)c1cn(-c2ccc(Br)cc2)cn1 95439169 AGCITAVVWHNPPF-UHFFFAOYSA-N 338.161 1.538 0 40 EDAB Cc1ccc(-c2noc(N3CCC(CS(N)(=O)=O)CC3)n2)cc1 95994749 KRIPTSZSQVVAFU-UHFFFAOYSA-N 336.417 1.550 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCCC1(C)C 95961534 NYTXQWJVSKAROQ-LLVKDONJSA-N 342.465 1.105 0 40 EDAB CN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H]1CCN(CC2CCCC2)C1 95939438 QMEQRNYOPLSDFQ-QWHCGFSZSA-N 337.386 1.816 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)NC3CCN(C4CC4)CC3)cnc12 9962143 OAENWLLSEPMVRL-UHFFFAOYSA-N 340.427 1.448 0 40 EDAB CCCc1ccc(S(=O)(=O)N2CC(OCC(=O)N(C)C)C2)cc1 75107126 KLPLYNVIQXVBFH-UHFFFAOYSA-N 340.445 1.117 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCN2CCC(O)CC2)c(F)c1 89616794 MPVLJRIIPJZAQR-UHFFFAOYSA-N 330.425 1.259 0 40 EDAB O=C(/C=C/c1c(F)cccc1F)N1CCN(Cc2ncon2)CC1 89768085 CZXSWRJGENNBPG-SNAWJCMRSA-N 334.326 1.705 0 40 EDAB CC(C)[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1nc(-c2ccccc2)no1 89801870 GEMUYGIBRQHGHB-NWDGAFQWSA-N 329.360 1.231 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 89922180 ISKCJEXOZRIWKE-BFHYXJOUSA-N 333.436 1.348 0 40 EDAB CC(C)n1ncc2cc(C(=O)NCCC(=O)N3CCCC3)cnc21 25254011 UGXDMPVLZZYKIN-UHFFFAOYSA-N 329.404 1.755 0 40 EDAB Cc1cnc(N2CC[C@]3(COCC[C@H]3NC(=O)N3CCCC3)C2)nc1 306143510 YEJMHFBBNSKHPQ-CRAIPNDOSA-N 345.447 1.576 0 40 EDAB CC[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1nc2ccccc2[nH]1 67358952 HUJYCDCRQXDWFM-GHMZBOCLSA-N 336.417 1.500 0 40 EDAB COc1ccccc1S(=O)(=O)NC[C@H](c1cccn1C)N(C)C 38674821 DJPACUZRDPCAMY-CQSZACIVSA-N 337.445 1.615 0 40 EDAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)Nc1nncs1 79027957 LZBLGMMTVJAJEO-JTQLQIEISA-N 341.437 1.418 0 40 EDAB COC(=O)[C@H]1Oc2ccc(F)cc2-c2nc(S(C)(=O)=O)ncc21 72207119 WWCUNHPICMRUGR-LBPRGKRZSA-N 338.316 1.293 0 40 EDAB C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1F)c1ccccc1 70639761 YNDFWJHIKCZNQJ-KRWDZBQOSA-N 334.322 1.927 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(CC)cc1 218541326 TWOORSUUPMNTET-ZOBUZTSGSA-N 339.457 1.658 0 40 EDAB CCOc1cccc(CNC(=O)c2c3n(c(=O)n2C)CCCC3)c1 560064110 HLVPPAGCHXTZIH-UHFFFAOYSA-N 329.400 1.852 0 40 EDAB NC(=O)CCc1cccc(C2CCN(C(=O)c3ccncc3)CC2)n1 72360483 WCYCXNSLOVSPEL-UHFFFAOYSA-N 338.411 1.914 0 40 EDAB CNCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2ccccn2)n1 72363277 KSYGBHLTFHJJQP-CYBMUJFWSA-N 326.404 1.807 0 40 EDAB NC(=O)CN1CCO[C@@H](COc2ccc(Br)cc2)C1 217499071 AOHPAGAPNHUZED-GFCCVEGCSA-N 329.194 1.014 0 40 EDAB CC(C)[C@@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1 188402371 ILVKZXRLPTUTDF-HZPDHXFCSA-N 338.473 1.988 0 40 EDAB O=C(O)CNC(=O)CNC(=O)CCn1ccc2c(Cl)cccc21 40312626 VBOYTNMGBCEIKE-UHFFFAOYSA-N 337.763 1.002 0 40 EDAB biogenic CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(O)c1)c1ccccc1 40267049 LMMOOTNFFWMFTG-INIZCTEOSA-N 327.384 1.750 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](Oc2cccnn2)C1 225452890 RMBRTDSCUASHMW-ZDUSSCGKSA-N 327.340 1.889 0 40 EDAB CN1C[C@H](C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)CC1=O 84369295 LOCAVZJRLGLQEK-CVEARBPZSA-N 342.395 1.820 0 40 EDAB COc1ccc(CNC(=O)NC[C@@](C)(O)CSC)cc1OC 75157373 DRCHFZFCPRMJIP-OAHLLOKOSA-N 328.434 1.617 0 40 EDAB O=C(Nc1cccc(Cl)c1-n1cccn1)[C@H]1CCS(=O)(=O)C1 46778384 MPGRZQMWGWCFST-JTQLQIEISA-N 339.804 1.899 0 40 EDAB Cn1cccc1[C@H]1COCCN1Cc1cc(=O)n2ccsc2n1 97379614 PJVPUTMEWQAXOS-CQSZACIVSA-N 330.413 1.668 0 40 EDAB Cc1ccc(NC[C@H]2CCN(CCCN3C(=O)CNC3=O)C2)nc1 97200518 QFEKLGTVOUOYQX-CQSZACIVSA-N 331.420 1.066 0 40 EDAB CCc1cc(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2C)on1 96422098 WUKGCWXRPMXJLT-UHFFFAOYSA-N 330.388 1.866 0 40 EDAB CC(C)OC[C@@H](O)CN1CCN(CC(=O)Nc2ccccc2)CC1 97028323 LJUUVBSXCLQLGL-KRWDZBQOSA-N 335.448 1.029 0 40 EDAB O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)N1CCC[C@@H]1CO 95987626 WPKHODSPSHFHCP-UGFHNGPFSA-N 326.343 1.961 0 40 EDAB Cc1ccccc1NC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 96410793 AIDVRMREAPQQQQ-ZDUSSCGKSA-N 327.388 1.062 0 40 EDAB O=C(C[C@H]1OC[C@H]2CN(C3CCOCC3)CC[C@H]21)Nc1cccnc1 96207595 ZVNACQAUJJCODB-ZTFGCOKTSA-N 345.443 1.926 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1 96043014 CLEUBIFMGKXNCA-RYQLBKOJSA-N 345.443 1.356 0 40 EDAB O=C(NCc1cccnc1)N1CC[C@H]2[C@H]1CCN2c1nncs1 96184888 ZFWSJOPEKCQOPT-OLZOCXBDSA-N 330.417 1.496 0 40 EDAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCc2ncnc(OC)c2C1 97202257 CBOCCHFNWYUWBP-ZDUSSCGKSA-N 331.376 1.557 0 40 EDAB O=C(c1cccnc1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 96109046 CYVHUMOAVRNLQU-QAPCUYQASA-N 325.368 1.644 0 40 EDAB COc1cccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1 96120896 GCUPPUQLMLNPFJ-UHFFFAOYSA-N 342.399 1.560 0 40 EDAB Cc1cc(C)cc(OCCC(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)c1 583617695 GHDRCKJJCJNOTF-SFHVURJKSA-N 344.415 1.701 0 40 EDAB Cc1cc([C@@H](C)NC(=O)N2CCO[C@@H](c3nncn3C)C2)c(C)o1 583622864 KBPSRPJWORDSDR-BXUZGUMPSA-N 333.392 1.869 0 40 EDAB O=C(c1ccccc1F)N1C[C@@H]2COC[C@]2(CN2CCOCC2)C1 96207507 FVLCVLLIMPPHHW-KDOFPFPSSA-N 334.391 1.247 0 40 EDAB CC(C)(C)CNC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96266072 GOHGPYAOBOBGQJ-UHFFFAOYSA-N 348.428 1.440 0 40 EDAB Cc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H]3CCCO3)OCC(=O)N2C)cc1 96181515 QGRGYXDGDLDYJY-UAGQMJEPSA-N 332.400 1.189 0 40 EDAB CCN1CCC[C@@H](NC(=O)N2CCN([C@H](C)c3ccccn3)CC2)C1 248866429 QDVJUMYKONDTQH-IAGOWNOFSA-N 345.491 1.954 0 40 EDAB Cc1ncc(CNC(=O)Cn2cc(Cl)cn2)c([C@@H]2CCCN2C)n1 257207184 BGRWPBUWSZMVOP-AWEZNQCLSA-N 348.838 1.718 0 40 EDAB NC(=O)c1ccc(C(=O)N2CC3(CCN3Cc3ccccc3)C2)cc1 585088374 YQONOSMKJTTWLT-UHFFFAOYSA-N 335.407 1.886 0 40 EDAB CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](O)CC(C)(C)C1 585130893 FQNZHDZLRZGHDM-IAGOWNOFSA-N 348.443 1.449 0 40 EDAB Cc1ccccc1CNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 585131723 DZKIGZKMAMZYRZ-RYUDHWBXSA-N 335.347 1.834 0 40 EDAB COCCOc1cccc(C(=O)N2CCC(N3CCOCC3)CC2)c1 585123986 YKDSWORHKPKQJW-UHFFFAOYSA-N 348.443 1.649 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)c3cccc(C)c3)CC2)OC[C@]1(C)O 257204375 AUGUSHMWRJDQRR-WMZOPIPTSA-N 332.444 1.729 0 40 EDAB Cc1cc(C[C@@H]2COCCN(C(=O)c3ccnc(C)n3)C2)ncn1 257268627 MMMVCRHYQGENSD-AWEZNQCLSA-N 327.388 1.215 0 40 EDAB CNC(=O)[C@H]1CN(Cc2cccc(C)n2)CCN(C2CCOCC2)C1 257321579 WCFPCDNOETXOTH-INIZCTEOSA-N 346.475 1.049 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 257222637 DUDLNWRUIXJZHP-INIZCTEOSA-N 343.431 1.630 0 40 EDAB COc1nccc(NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)n1 276522065 LOYOWGXYVUDXHH-UHFFFAOYSA-N 330.392 1.932 0 40 EDAB Cc1cccnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 287494619 KXVRFCZHUZYMBB-KGLIPLIRSA-N 338.429 1.334 0 40 EDAB CC[C@H](C)[C@@H](C(=O)NC[C@@H]1CCCN2CCCC[C@H]12)n1cnnn1 604405256 YEGGPFDAYRABSL-JONQDZQNSA-N 334.468 1.641 0 40 EDAB biogenic COC(=O)[C@H]1CCc2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC1 601043580 DPCPODOGOZXGLX-NSHDSACASA-N 349.412 1.474 0 40 EDAB O=C(O)c1ccc(C(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)nc1 647742624 DCRIGECJKLPRPY-OAHLLOKOSA-N 345.399 1.691 0 40 EDAB Cc1cncc(C(=O)N2Cc3ccnn3[C@@H](CN3CCCC3=O)C2)c1 575406807 UGDYWOALKORMPK-INIZCTEOSA-N 339.399 1.406 0 40 EDAB Cc1ccc(OCC(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)cc1 585098146 UXGZJSZZPYLHRY-INIZCTEOSA-N 342.443 1.933 0 40 EDAB O=C(c1csnn1)N1CCc2[nH]nc(-c3cccnc3)c2CC1 585110390 ONOFTJZVIZBBFF-UHFFFAOYSA-N 326.385 1.564 0 40 EDAB O=C(Cc1ccccn1)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585278051 PRNFSHRLBFBKTE-IBGZPJMESA-N 344.386 1.596 0 40 EDAB O=C(NC1(C(F)(F)F)CCOCC1)[C@H]1CCCN(C(=O)C2CC2)C1 580807643 PXKRLEQYKUMDOE-LBPRGKRZSA-N 348.365 1.863 0 40 EDAB O=C(NCc1cccnc1N1CCOCC1)NC1CCC(O)CC1 45548070 LJEXHKJEEIWPPA-UHFFFAOYSA-N 334.420 1.021 0 40 EDAB Cc1occc1C(=O)Nc1cc(N[C@@H](C)C(=O)NC(N)=O)ccc1F 56154818 HEEFPWUGSUJARW-QMMMGPOBSA-N 348.334 1.975 0 40 EDAB NC(=O)COc1cccc(CN2CCCC[C@@H]2Cn2cncn2)c1 69536431 CVWZLMQZCAQWIK-OAHLLOKOSA-N 329.404 1.197 0 40 EDAB O=C(Nc1nccs1)N1CC(Cn2nc3c(cc2=O)CCC3)C1 585603680 FWEFRDYRFFWJJJ-UHFFFAOYSA-N 331.401 1.352 0 40 EDAB COc1nccc(CNC(=O)c2cc(F)cc(N3CCOCC3)c2)n1 1614648504 UQRPHHNEVNORGG-UHFFFAOYSA-N 346.362 1.391 0 40 EDAB Nc1ccn2ncc(C(=O)N3CCOC[C@@H]3C[C@@H]3CCOC3)c2c1 1615552934 FLVHTQAMFWMMSO-JSGCOSHPSA-N 330.388 1.184 0 40 EDAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc(C)n2N)c1 5580831 QAVUWBCGTJZAPF-UHFFFAOYSA-N 349.416 1.598 0 40 EDAB O=C(NCCNC(=O)c1[nH]nc2c1CCCCC2)c1ccccn1 12147438 WXKXCVKHJVDCHF-UHFFFAOYSA-N 327.388 1.233 0 40 EDAB C[C@@H]1CN(Cc2ccc(OCC(=O)N3CCCC3)cc2)CC[C@@H]1O 12188243 CVZZLBCUNSFKJF-QAPCUYQASA-N 332.444 1.891 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12 13554949 HNXDUGTVEZIXBY-ZBFHGGJFSA-N 331.416 1.742 0 40 EDAB O=C(/C=C/c1ccc(O)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)O 14824976 LEEDEKWKJVUWGA-YKXBDCQTSA-N 327.336 1.923 0 40 EDAB endogenous,in-man N=c1nc([C@H]2CCCCN2CC(N)=O)c(-c2ccccc2F)c[nH]1 607853332 RRXBUWUEVQAWMK-CQSZACIVSA-N 329.379 1.708 0 40 EDAB COC[C@H](C)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 9390268 JMUKKSRJSHREBC-ZETCQYMHSA-N 345.182 1.741 0 40 EDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(F)c(F)c1 7135611 XKIRDTNXAJQOGF-UHFFFAOYSA-N 345.305 1.997 0 40 EDAB O=C(NOCc1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1 11332777 DQKAWMDCFUWTAX-UHFFFAOYSA-N 339.351 1.600 0 40 EDAB CCOc1ccc(-n2ccn3c(=O)n(CC4CCC4)nc3c2=O)cc1 1888908442 SSMKLBFCJKQLPB-UHFFFAOYSA-N 340.383 1.846 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccccc1Cl 24690355 NHVZCVZFJBGYQZ-NSHDSACASA-N 330.837 1.884 0 40 EDAB O=C1CN(c2ccc(NC(=O)Cc3ccccc3F)cn2)CCN1 27270515 HDOZTEGRQMMXDL-UHFFFAOYSA-N 328.347 1.338 0 40 EDAB CCc1c(C)ncnc1N1CCN(Cc2nnc(C3CC3)o2)CC1 1776009594 LEXUUPGBQPZZBT-UHFFFAOYSA-N 328.420 1.930 0 40 EDAB O=C(O)c1cnn(C2CCN(C(=O)COCc3ccccc3)CC2)c1 263161726 JTWYBDTTZAGHOM-UHFFFAOYSA-N 343.383 1.962 0 40 EDAB CC(C)N(C)C(=O)[C@H]1CN(Cc2cncn2C)CC12CCOCC2 2056225821 CKCMZDJELQBADB-MRXNPFEDSA-N 334.464 1.516 0 40 EDAB Cn1cccc(C(=O)N2[C@H]3CC[C@H]2CN(Cc2cccnc2)C3)c1=O 1018189441 NMMRFCZBIRJUSA-HOTGVXAUSA-N 338.411 1.269 0 40 EDAB CC(C)N(C)CC(=O)N1CCc2ccc(C(=O)NCC3CC3)n2CC1 1565546466 CERUCPNMIVANFC-UHFFFAOYSA-N 346.475 1.353 0 40 EDAB COc1ccc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)cc1 566949 QMNFNLZCXXUEPN-GXDHUFHOSA-N 336.376 1.769 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 4687826 HOIPITSALYMZEM-RBSFLKMASA-N 345.509 1.037 0 40 EDAB CN(c1ncc(Cl)cn1)C1CCN(CCC2OCCO2)CC1 1849470903 VWNYYCGHDOZQAE-UHFFFAOYSA-N 326.828 1.794 0 40 EDAB NCCn1ncc2c(=O)n(Cc3ccc(Br)cc3)cnc21 26421692 HWLSJQXBSZLVIG-UHFFFAOYSA-N 348.204 1.363 0 40 EDAB Cc1nc2ccc(N3CCN(c4nccn5nccc45)CC3)nn2c1C 2298094976 DISZKYMAAXZGTR-UHFFFAOYSA-N 348.414 1.715 0 40 EDAB CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 40476464 MKYUSHQCHCTYDN-GFCCVEGCSA-N 329.393 1.629 0 40 EDAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OC 40498893 SUHRUBWOTGHOMS-CMPLNLGQSA-N 327.402 1.316 0 40 EDAB CN1CCN(c2c(NCCc3c[nH]c4ccccc34)c(=O)c2=O)CC1 100794031 ABWFYVNZVOLCOE-UHFFFAOYSA-N 338.411 1.170 0 40 EDAB biogenic Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 40508601 HGEFSWSNVXINDW-GFCCVEGCSA-N 338.360 1.706 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCc1ncc(-c2ccccc2)[nH]1 51411366 KIJPDQLTWGARFY-TZMCWYRMSA-N 326.400 1.855 0 40 EDAB COC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C)C(=O)OC 32412984 RHONBZNOYUYPSD-SNVBAGLBSA-N 349.792 1.031 0 40 EDAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 32503003 YAUOWEHHTWOZGB-ZDUSSCGKSA-N 326.418 1.881 0 40 EDAB COc1ccc(CC(=O)NCCS(=O)(=O)Cc2ccccc2)cc1 41007476 FQYWTRMGULEQNO-UHFFFAOYSA-N 347.436 1.969 0 40 EDAB O=C(NCC1CCCC1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 69896893 HNRRFLVKJUZPTB-UHFFFAOYSA-N 349.406 1.907 0 40 EDAB O=C(CN1C(=O)C(=O)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1 32777523 QNVYUUXRFUDGQZ-UHFFFAOYSA-N 347.224 1.117 0 40 EDAB Cc1ccc2c(c1)N(CC(=O)OCC(=O)NC1CCCC1)C(=O)CO2 1328864 NLENVPBXRHZXFJ-UHFFFAOYSA-N 346.383 1.322 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCCO1 41274010 RICCXOOFTIJYOD-RISCZKNCSA-N 326.418 1.457 0 40 EDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)N2CCCC2)c1C 4550056 VKFJOSSDTGMSIM-GFCCVEGCSA-N 336.388 1.976 0 40 EDAB CCCOc1ccc(C(=O)NC(=S)Nc2nnnn2CCC)cc1 6462621 WWJTWBGGMZLYBR-UHFFFAOYSA-N 348.432 1.999 0 40 EDAB CCOC(=O)C1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 6612668 YQALNDZNQVIXAF-UHFFFAOYSA-N 346.387 1.070 0 40 EDAB CNC(=O)NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 6879735 LUQFYBSKQFQSQL-UHFFFAOYSA-N 330.315 1.891 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N[C@@H](c1ccccc1)C1CC1)C2 69528267 PXQJPSHEILGLFQ-SFHVURJKSA-N 325.416 1.670 0 40 EDAB CCOC(=O)Cc1cc(=O)c2c(=O)n(-c3ccc(F)cc3)[nH]c2[nH]1 8020869 GIEOVIYOMLTHGU-UHFFFAOYSA-N 331.303 1.252 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 52922342 SVXLVYNPAZQXPX-ROUUACIJSA-N 329.444 1.636 0 40 EDAB CN1C[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)CC1=O 69533161 QSUZTXBZGAYASH-LBPRGKRZSA-N 336.819 1.940 0 40 EDAB Cc1nn2c(=O)cc(CN3CCCC[C@H]3C3OCCO3)nc2s1 69561969 ARHXPBMGIAMWQG-LBPRGKRZSA-N 336.417 1.187 0 40 EDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc(F)cc2)C1 57318832 IGYATTWIFUZYOT-HIFRSBDPSA-N 336.407 1.758 0 40 EDAB CCOC(=O)C1CCN(C(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)CC1 100267541 MQYZVOOLWRLLRW-ROUUACIJSA-N 337.416 1.910 0 40 EDAB O=S(=O)(c1ccccc1)N1CCN(Cc2noc(C3CC3)n2)CC1 53602616 NNDMTGNRDMPKTO-UHFFFAOYSA-N 348.428 1.454 0 40 EDAB COCCN(Cc1ccco1)C(=O)c1ccnc(-n2cncn2)c1 53799728 BILYRSVWHBDPFJ-UHFFFAOYSA-N 327.344 1.544 0 40 EDAB COc1ccc(Nc2nc(C(=O)NCC(=O)NC3CC3)cs2)cc1 37426163 GKXWFOPSFDRTBX-UHFFFAOYSA-N 346.412 1.904 0 40 EDAB COC(=O)C(C)(C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 23176511 FNEQTKJCHLVNGX-UHFFFAOYSA-N 333.793 1.425 0 40 EDAB COc1ccccc1CN1C[C@H](C(=O)NC2CCC2)[C@H]2OCC[C@H]21 108529329 QDLISHBPLLVKGO-LZLYRXPVSA-N 330.428 1.953 0 40 EDAB C[C@H](C(=O)Nc1nccs1)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69628082 TWLGXWNFJOMDFZ-CHWSQXEVSA-N 340.493 1.495 0 40 EDAB CCN(CC)CCCNCC(=O)NCc1ccc(OC)c(OC)c1 23486725 BORPZEBDURKBKE-UHFFFAOYSA-N 337.464 1.642 0 40 EDAB Cn1ccnc1C1(O)C[C@H]2CC[C@H](C1)N2CC(=O)Nc1nccs1 100128254 CBSZAHLHKCOHPE-VXGBXAGGSA-N 347.444 1.330 0 40 EDAB CCc1noc([C@H](C)N2CCN(c3cc(Cl)nc(N)n3)CC2)n1 105792062 HOQONPHCZJDTBN-VIFPVBQESA-N 337.815 1.541 0 40 EDAB O=S(=O)(CCn1cnc2ccccc21)NCCCOCC1CC1 24707348 XHIJQMKLHWFASU-UHFFFAOYSA-N 337.445 1.772 0 40 EDAB C[C@H]1CN([C@H](C)CNC(=O)[C@@H](c2ccccc2)N(C)C)C[C@@H](C)O1 106144955 DDZIVHUEIHMLJV-XLMAVXFVSA-N 333.476 1.903 0 40 EDAB Cc1cc(NC(=O)c2ccc(-n3ccnc3)nc2)ccc1-n1cnnn1 25084866 IFYOPTZBTHYOKR-UHFFFAOYSA-N 346.354 1.804 0 40 EDAB CN1CCO[C@@H](CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 106666513 COBDBPAQHWPDBO-UONOGXRCSA-N 334.338 1.539 0 40 EDAB CCN(CC)C(=O)CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 106641994 WTCHTHISAICVKQ-NVXWUHKLSA-N 346.475 1.990 0 40 EDAB Cc1cccc2c1cnn2CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 57354924 KBEKONPYBDPEFW-CYBMUJFWSA-N 335.429 1.380 0 40 EDAB CCCN(Cc1cc(=O)n(C)c(=O)n1C)[C@H]1C[C@@H](OCC)C1(C)C 106931426 DGWQTOIJBXGBCF-LSDHHAIUSA-N 337.464 1.500 0 40 EDAB CC(C)c1nnc(NC(=O)N2CCN(c3ncccn3)CC2)s1 43697447 DGLKBSYTBWWVRP-UHFFFAOYSA-N 333.421 1.806 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN([C@@H](C(N)=O)c3ccc(F)cc3)CCO2)n1 107354492 JGWMLZNJDZDMLX-UONOGXRCSA-N 347.394 1.667 0 40 EDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CCC(=O)NC1 48049401 WMEGTAUAYMMCPC-OCCSQVGLSA-N 327.388 1.313 0 40 EDAB CCCCCCn1c(=O)c2c(nc(CN(CC)CC)n2C)n(C)c1=O 12660123 CDQLMFMERLPJLC-UHFFFAOYSA-N 349.479 1.856 0 40 EDAB biogenic O=C(Cn1ccc(-c2ccccc2)n1)NC[C@H]1CCS(=O)(=O)C1 96475743 FYDCCMMBMVWPEE-CYBMUJFWSA-N 333.413 1.101 0 40 EDAB COc1ccc(S(=O)(=O)NCCn2ncc3c2c(C)nn3C)cc1 57279776 HDSPPOHYUDDDOS-UHFFFAOYSA-N 349.416 1.065 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 96408577 RZEOVQRRGPJGTO-AWEZNQCLSA-N 340.420 1.398 0 40 EDAB Cc1c(C(=O)NCCCN2CCCC2=O)sc2ncn(C)c(=O)c12 27479567 KDTLBUAWRMPPOH-UHFFFAOYSA-N 348.428 1.046 0 40 EDAB COc1cccc(OCCNC(=O)c2ccc3c(c2)OCC(=O)N3)c1 44909643 XAAWFLPJCYGWKZ-UHFFFAOYSA-N 342.351 1.835 0 40 EDAB COc1ccc(CNC(=O)NC2CCN(c3ncccn3)CC2)cc1 44946645 XMUWFJKWYZMOFV-UHFFFAOYSA-N 341.415 1.953 0 40 EDAB C[C@@H](Sc1nncn1C)C(=O)NCCN1CCCc2ccccc21 58418517 UHWFLJWNRMJJCI-CYBMUJFWSA-N 345.472 1.865 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(c2nccs2)CC1 58442186 MMFHSZBCOPYDJT-CYBMUJFWSA-N 348.476 1.643 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNC(=O)CN(C)c1ncnc2[nH]cnc12 58404800 UKSNDPPKPJXOCC-QWHCGFSZSA-N 346.435 1.501 0 40 EDAB CCCCOc1ccccc1/C=c1\sc2nc(=O)c(C)nn2c1=O 28467629 BULKBXDDKBNWSV-UVTDQMKNSA-N 343.408 1.546 0 40 EDAB CC(=O)N[C@@H](CC(=O)NCc1c(C)cc(C)[nH]c1=O)c1cccs1 12826101 QFHSDZZXBZMEHG-AWEZNQCLSA-N 347.440 1.937 0 40 EDAB Cn1nnnc1S[C@@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O 3477732 OLPMGSDGPTXHIK-GFCCVEGCSA-N 349.391 1.663 0 40 EDAB CCCN(C(=O)c1cc(OC)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 3422814 CQYMIHQBALAFRQ-CYBMUJFWSA-N 341.429 1.743 0 40 EDAB CN1CC[C@@H]2[C@H](CCCN2C(=O)CNC(=O)c2cccc(F)c2)C1 97083283 JHTHPOMGCLIQTR-GDBMZVCRSA-N 333.407 1.498 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC(c2n[nH]c(=S)n2CC)CC1 69708041 VXJCYOOWACXIPL-UHFFFAOYSA-N 347.510 1.727 0 40 EDAB CCn1c(S[C@H](C)c2nc(N)nc(N(C)C)n2)nnc1C1CC1 13003121 DMVMHYQECRQQSL-MRVPVSSYSA-N 334.453 1.862 0 40 EDAB CSCc1nnc(SCC(=O)NC(=O)NCCC(C)C)o1 13022089 OZCXDUCJDDPICK-UHFFFAOYSA-N 332.451 1.897 0 40 EDAB CC(C)C[C@@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)O 4088785 BDWZXGZGXPGEHF-WWGRRREGSA-N 348.424 1.872 0 40 EDAB biogenic CCC[C@@H]1NC(=O)N(Cc2cccc(S(=O)(=O)N(C)C)c2)C1=O 8707500 DPDOGRFEXCJPAE-ZDUSSCGKSA-N 339.417 1.157 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 8755733 DNJUHANCPAMJQM-CYBMUJFWSA-N 328.416 1.456 0 40 EDAB Cc1nn(C)c(C)c1C[C@H]1[C@@H](O)c2ccccc2S(=O)(=O)N1C 13731483 VKYVYRAODNBZQT-HOCLYGCPSA-N 335.429 1.316 0 40 EDAB COCCCNC(=S)N1CCN(Cc2cccc(OC)c2)CC1 13767908 DQSUNJHCRZPMSL-UHFFFAOYSA-N 337.489 1.724 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)N[C@H](C(=O)O)C(C)C)CC2 8879722 OXVAOTYHLYYFGA-HNNXBMFYSA-N 336.388 1.881 0 40 EDAB biogenic CN1CCc2ncnc(N(C)C3CCN(C4CCOCC4)CC3)c2C1 65478876 QJRCRMJYOMLGCG-UHFFFAOYSA-N 345.491 1.544 0 40 EDAB CN1CCCN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1 65440867 VKRYBODIAUYDHI-UHFFFAOYSA-N 346.353 1.870 0 40 EDAB Cc1cc(N2CCN(C(=O)NCc3cc[nH]n3)CC2)nc(C(C)C)n1 65564243 FLWIGVLTWPXSEG-UHFFFAOYSA-N 343.435 1.663 0 40 EDAB COC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 65591240 QCEAKBXYKSDKKA-ZDUSSCGKSA-N 341.452 1.474 0 40 EDAB COc1ccnc(N2CCC(NS(=O)(=O)c3ccccc3)CC2)n1 14140655 ILPWSNSCOOAEBM-UHFFFAOYSA-N 348.428 1.433 0 40 EDAB O=C(NC1CCC2(CC1)OCCO2)c1cn(-c2ccc(F)cc2)nn1 65611542 VOAUSTCQTVWDQX-UHFFFAOYSA-N 346.362 1.822 0 40 EDAB CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1N1CCOCC1 65615152 WKACPRNDSWCOSK-OAHLLOKOSA-N 349.456 1.773 0 40 EDAB COC(=O)c1ccc(CSCc2nc(N)nc(N(C)C)n2)cc1 8993930 FHVGUHKVWQFLTI-UHFFFAOYSA-N 333.417 1.740 0 40 EDAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)NC(N)=O 6549663 ODXQAMYGXFDPTL-VIFPVBQESA-N 331.401 1.820 0 40 EDAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C(N)=O 66147009 WAPWBRINZRDCAI-KOLCDFICSA-N 330.306 1.949 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@@H](c3nccs3)C2)ccc1=O 72273477 NWHMHMJYNWUKKW-GFCCVEGCSA-N 348.428 1.366 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)NC(=O)CO3)CC1 9048984 GGBLPDQNHNESOD-UHFFFAOYSA-N 347.371 1.368 0 40 EDAB CN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(=O)Nc2ccccc21 66649912 ZUMATAOGAGAMST-DGCLKSJQSA-N 333.413 1.102 0 40 EDAB COc1cccc2c1OC[C@@H](C(=O)N[C@@H]1CCc3nccn3C1)C2 72235891 ZCPUQLHTKDNLTJ-UONOGXRCSA-N 327.384 1.574 0 40 EDAB CCNC(=O)CNC(=O)COc1ccc(F)cc1Br 7694132 BLHGZFVASKLLIN-UHFFFAOYSA-N 333.157 1.219 0 40 EDAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N=c1[nH]c2ccccc2[nH]1 16050858 USLOXHJUIXUOKO-VXGBXAGGSA-N 338.367 1.265 0 40 EDAB Cc1cc(CN(C)C(=O)c2ccccc2OCC(=O)N(C)C)no1 25137598 UIGWMBSKISCZJP-UHFFFAOYSA-N 331.372 1.722 0 40 EDAB CC(C)C(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1 306140029 UHSXJGOCDOTJOF-HNNXBMFYSA-N 331.416 1.475 0 40 EDAB CN(C)C(=O)[C@H]1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 69031181 DMYKWOTWMJJEKN-ZDUSSCGKSA-N 338.429 1.031 0 40 EDAB COCCN1CCN(CC(=O)N(C)Cc2ccc(F)cc2)C[C@H]1C 70018289 LFNCXERFKASUPM-OAHLLOKOSA-N 337.439 1.437 0 40 EDAB CC1CCN(C(=O)CN2CCN(C[C@H](O)c3ccccc3)CC2)CC1 70037723 TZEJTWRTQJGTQH-IBGZPJMESA-N 345.487 1.596 0 40 EDAB COc1ccc(NC(=O)CCCN2C(=O)CN(C)C2=O)cc1Cl 8395820 AGMLHAPRABANIM-UHFFFAOYSA-N 339.779 1.961 0 40 EDAB Cc1cnn(C[C@H]2CN(CC(=O)N[C@@H](C)c3cccs3)CCO2)c1 69458786 JVMCQACBTPMZBD-LSDHHAIUSA-N 348.472 1.831 0 40 EDAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCO[C@H](Cn2cccn2)C1 69414716 FPDBFPPPZDAUHM-JSGCOSHPSA-N 349.822 1.660 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(N2CCCC2)c(Cl)c1 71886706 DDEIQAPBZBHFQY-UHFFFAOYSA-N 348.790 1.429 0 40 EDAB COc1ccc(CCN2CCN(C(=O)c3cnsn3)CC2)cc1 71836589 NWDIPQLVMYGBEG-UHFFFAOYSA-N 332.429 1.547 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)[C@H](c2ccccc2)N2CCCC2)CC1 71875842 MYZOZYSLZRDLOX-AEFFLSMTSA-N 331.460 1.349 0 40 EDAB C[C@H]1CN(C2CCN(C(=O)c3cnc4ccccc4n3)CC2)CCO1 71821627 FUACJSXDWLBDPC-AWEZNQCLSA-N 340.427 1.955 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CN1C(=O)CSc2ccccc21 71829774 QBLADNQGZMEGSM-RYUDHWBXSA-N 347.440 1.238 0 40 EDAB Cc1cnn(CCCNC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)c1 84265259 YYNIEHDSFOIABI-CYBMUJFWSA-N 347.385 1.860 0 40 EDAB Cc1nn(CCO)c(C)c1CNCc1ccc(Cn2cncn2)cc1 97159942 JRAXMOAIFKMLLY-UHFFFAOYSA-N 340.431 1.422 0 40 EDAB Cc1nn(CCO)c(C)c1CN[C@@H](C)c1ccc(-n2cncn2)cc1 97159710 QULQEIILILYJFI-ZDUSSCGKSA-N 340.431 1.924 0 40 EDAB C[C@@H]1C[C@H](NC(=O)NCc2nccn2C)C(=O)N1c1ccccc1 76088147 LFJRQEYATPUMAV-OCCSQVGLSA-N 327.388 1.413 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)cn1)[C@@H]1Cc2ccccc2O1 84581745 DAJWANSOCHWANO-INIZCTEOSA-N 325.368 1.860 0 40 EDAB O=C(NC[C@H]1COc2ccccc2O1)c1cccn1C1CCNCC1 95393836 XQRZUVBTZTXIPH-HNNXBMFYSA-N 341.411 1.982 0 40 EDAB Cc1cccc(N2CCN(CCNC(=O)N(C)CC(C)(C)O)CC2)c1 95411135 HBRYWQAACZWHAA-UHFFFAOYSA-N 348.491 1.529 0 40 EDAB C[C@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)[C@H](O)Cc1ccccc1 95434316 AJEOALZOBGKKKN-YVEFUNNKSA-N 339.395 1.589 0 40 EDAB Cc1cnccc1CCNC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 95438102 YKRHOQXAMXPKPL-LBPRGKRZSA-N 344.337 1.395 0 40 EDAB CCO[C@H](C)c1noc(CN2CCN(c3nnc(C)s3)CC2)n1 78508649 OZWVUNYESKORIB-SNVBAGLBSA-N 338.437 1.649 0 40 EDAB O=C(O)c1ccc(CCNC(=O)C2(O)Cc3ccccc3C2)cc1 95463845 PLGOTAQHKZBURN-UHFFFAOYSA-N 325.364 1.573 0 40 EDAB C[C@H](C(=O)OCc1cccc(C(N)=O)c1)n1c(=O)oc2ccccc21 73754456 WCZREVAMKRMJJM-LLVKDONJSA-N 340.335 1.998 0 40 EDAB C[C@@H](NC(=O)N1CCO[C@@H](CO)C1)c1ccc(Br)cc1 78830553 ZYAZBUIINLGXHN-ZWNOBZJWSA-N 343.221 1.913 0 40 EDAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)NC[C@H]1CN(C)CCN1C 78925638 MLAMTCXMYAWMHH-GOEBONIOSA-N 332.448 1.282 0 40 EDAB Cn1ccc(C(=O)Nc2nc3ccc(Br)cn3n2)cc1=O 78987393 RWBKFPJEJVEZLP-UHFFFAOYSA-N 348.160 1.443 0 40 EDAB CCCC(=O)N1CSC[C@H]1C(=O)NCc1nnc(C(C)C)n1C 95997258 KEHLIAHRTHAOEJ-NSHDSACASA-N 339.465 1.256 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(=O)[nH]n1 95978427 CXQHFKALORTLQC-SECBINFHSA-N 336.754 1.571 0 40 EDAB COc1ncc(Cl)c(NCCCn2nc3n(c2=O)CCCC3)n1 79109353 ITUKTDDEBQBNAV-UHFFFAOYSA-N 338.799 1.335 0 40 EDAB O=C([C@H](O)c1ccccc1)N1CCN(Cc2cccc(O)c2)CC1 86247356 GBOVDMBXQNESTA-GOSISDBHSA-N 326.396 1.770 0 40 EDAB O=C(NCCc1nnc2n1CCC2)NCc1csc(C2CC2)n1 86397052 QHIQLSFXIKDEPO-UHFFFAOYSA-N 332.433 1.600 0 40 EDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)c1cnn(C)c1)C2=O 75146447 RWECZEYPUDSUNF-UHFFFAOYSA-N 347.419 1.274 0 40 EDAB Cc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)c(=O)[nH]1 75119801 CMQLZGYBRVNSKI-UHFFFAOYSA-N 335.473 1.775 0 40 EDAB O=C1NCCN1[C@H]1CCCN(c2cncc(Br)c2)C1 89764614 KKWIIUMEAOXCFK-NSHDSACASA-N 325.210 1.838 0 40 EDAB CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccco2)cc1 67896925 MJMSDAKJEIRAOZ-CZUORRHYSA-N 330.340 1.423 0 40 EDAB biogenic,in-vitro NS(=O)(=O)c1ccc(OC[C@@H]2CCCN2c2nccs2)cc1 1548453502 TYSALGDEPXCAIG-NSHDSACASA-N 339.442 1.838 0 40 EDAB CN(C)C1(CNC(=O)COc2ccc3c(c2)CCC(=O)N3)CCCC1 42765630 COHSAQKTGKOYPS-UHFFFAOYSA-N 345.443 1.941 0 40 EDAB CS(=O)(=O)CCN1CCN(Cc2ccc(F)c(Cl)c2)CC1 189739611 XEIUIFLTOOGHHU-UHFFFAOYSA-N 334.844 1.641 0 40 EDAB Cc1cc(CCC(N)=O)cc([C@H]2CCCN2Cc2ccnn2C)n1 72360521 GHDHRCQCTCHBQW-QGZVFWFLSA-N 327.432 1.879 0 40 EDAB CCOC(=O)[C@@H]1CCCN(Cc2ccnc(N3CCOCC3)n2)C1 72348177 WVBXUBSQSJEMHU-CQSZACIVSA-N 334.420 1.088 0 40 EDAB CC(=O)Nc1ccccc1OCc1noc(C(=O)N2CCOCC2)n1 36366087 ASUXFXRLOPRGFT-UHFFFAOYSA-N 346.343 1.079 0 40 EDAB COC(=O)c1ccccc1NC(=O)C1CN(C(=O)c2cc(C)on2)C1 70811013 GQRDIJGUGZAHJE-UHFFFAOYSA-N 343.339 1.480 0 40 EDAB CC(=O)N1CCC(C)(c2nc(C)cc(C(=O)N3CCCC3)n2)CC1 72387216 WVLIDHJZMKFYHU-UHFFFAOYSA-N 330.432 1.921 0 40 EDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)Cc3cccnc3)C2)nn1 225447824 VABLPGLDZXFCDH-CQSZACIVSA-N 327.388 1.160 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)c1ccoc1 75171882 GCVFDJAGAJNDHY-NSHDSACASA-N 331.777 1.954 0 40 EDAB C[C@H]1CN(Cc2ccc(CN(C)[C@@H]3CCN(C)C3=O)cc2)C[C@@H](C)O1 583651291 KFSRIIBXPAQBIM-JTDSTZFVSA-N 345.487 1.958 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 226687266 ZHFXMPAZSPXAEU-GFCCVEGCSA-N 326.418 1.375 0 40 EDAB O=C1C[C@@H](Cc2ccc(C(=O)NC[C@@H]3Cc4ccccc43)cc2)C(=O)N1 96436170 XRSMFIKOCVBQPN-SJORKVTESA-N 348.402 1.962 0 40 EDAB CCn1cnnc1CNC(=O)NC1CCN(c2ccc(C)cn2)CC1 96431266 ZSTBTYRHPIZJDF-UHFFFAOYSA-N 343.435 1.470 0 40 EDAB CN(C)CC(=O)N1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96224683 STHROBSLCBORLS-LJQANCHMSA-N 347.434 1.728 0 40 EDAB CNC(=O)c1cc2c(nc1NC(C)C)CCN(c1ncccn1)CC2 96086800 SQSYCFJPPBCHMA-UHFFFAOYSA-N 340.431 1.657 0 40 EDAB O=C(c1ccsc1)N1C[C@H]2CN(Cc3cccnc3)C(=O)[C@H]2C1 96245088 WARPMPOGSSSOHH-CABCVRRESA-N 327.409 1.874 0 40 EDAB C[C@H](CNS(=O)(=O)Cc1cccc(F)c1)CN1CCN(C)CC1 96428376 BAIASOZYUVBVNG-CQSZACIVSA-N 343.468 1.129 0 40 EDAB CN(C)CCN1CCOC[C@]2(CCCN(C(=O)c3ccoc3)C2)C1 96228836 HTHYJPODKYAFOR-GOSISDBHSA-N 335.448 1.396 0 40 EDAB O=C(NC1CC1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96074005 MQQBZZKYJKGICP-GOSISDBHSA-N 328.416 1.768 0 40 EDAB O=C(c1ccco1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96159074 NKIXVYTZWUWVPH-UHFFFAOYSA-N 346.362 1.720 0 40 EDAB O=C(c1ccnnc1)N1CCc2ncnc(-c3cccnc3)c2CC1 96255326 SAIJXDDITIBBJU-UHFFFAOYSA-N 332.367 1.570 0 40 EDAB O=S(=O)(C1CC1)N1CCC2(CC1)C[C@@H](Oc1ccccn1)CO2 96107010 IIIPEGIDOCVXJG-CYBMUJFWSA-N 338.429 1.576 0 40 EDAB COC(=O)c1cc(S(=O)(=O)NCCCn2ccnc2)ccc1C 91212567 NRMSOQWJGWQZTD-UHFFFAOYSA-N 337.401 1.347 0 40 EDAB CCOC[C@@H]1CN(C(=O)c2ccnnc2)Cc2ncn(CC3CC3)c21 96045132 YPKCVDAFXGMTCT-HNNXBMFYSA-N 341.415 1.859 0 40 EDAB Cn1ncc2c(N)nc(N3C[C@@H](O)C[C@@H]3c3ccc(F)cc3)nc21 581831716 WMCLYJINGFCSCY-WCQYABFASA-N 328.351 1.397 0 40 EDAB O=C(C1CCOCC1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96047170 DCABXPGWERYLGT-SFHVURJKSA-N 330.432 1.722 0 40 EDAB Cc1cccc(C(=O)N2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)n1 96050541 VPYGFYPZDIOMAO-SFHVURJKSA-N 339.399 1.393 0 40 EDAB COC[C@@H]1CN(C(C)=O)CC12CCN(C(=O)Cc1ccco1)CC2 247918736 GMJLLGPGWNVIIV-HNNXBMFYSA-N 334.416 1.556 0 40 EDAB O=C(NCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1F 247445160 YGEMFUGEWLDDAM-YXAMBPQSSA-N 342.370 1.753 0 40 EDAB CS(C)(=O)=NC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1 585114535 HXFUSALPYNLYQP-ZDUSSCGKSA-N 344.458 1.235 0 40 EDAB Cc1cccnc1NC(=O)CCNS(=O)(=O)N1CCCCC1 585114726 VBGYVTXEMOZFSJ-UHFFFAOYSA-N 326.422 1.039 0 40 EDAB CN(CCCCO)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12CCOC2 585121891 FAMSIMLGNNSGHV-AZUAARDMSA-N 346.471 1.756 0 40 EDAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)N=S(C)(C)=O)C1 585116628 CUTGBQYZMOGPED-QWHCGFSZSA-N 331.482 1.257 0 40 EDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1nc(C)cc1C 257314963 UZHSLQKYMAOTOT-MJQMVNBJSA-N 344.459 1.890 0 40 EDAB COc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 257282326 OTHQUTVMYSEBNL-TZMCWYRMSA-N 333.413 1.127 0 40 EDAB COc1ccc([C@H]2CNCCN2C(=O)Cn2cc(Cl)cn2)cc1 257266205 MBZPLTHHFBASFK-OAHLLOKOSA-N 334.807 1.718 0 40 EDAB O=C(CCc1cccs1)NC[C@]1(O)CCN(c2ccccn2)C1 257278311 OBSXDNFSAQESER-QGZVFWFLSA-N 331.441 1.833 0 40 EDAB O=C(c1cc(F)ccc1F)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257326352 WWXKSYHUODZKKJ-HOTGVXAUSA-N 340.370 1.263 0 40 EDAB Nc1cccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257297035 RFMVCZFHCBWFHT-AWEZNQCLSA-N 327.388 1.479 0 40 EDAB CCc1noc(CCC(=O)N2CCNC[C@@H]2c2ccc(OC)cc2)n1 257238148 HJUOGURKVZXQFH-OAHLLOKOSA-N 344.415 1.746 0 40 EDAB COc1cc(CCC(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)on1 257339094 ZAEMDEFTAPAMJA-LLVKDONJSA-N 332.360 1.518 0 40 EDAB Cc1nccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCCn2cncn2)[C@H]1O 257243795 IIOORXNWZFHPLU-BFYDXBDKSA-N 346.435 1.176 0 40 EDAB CCn1ncnc1-c1ccc(C(=O)N2C[C@H](N)C3(CCC3)C2)cc1 1615555918 ZSTPTUGWSKNJCO-HNNXBMFYSA-N 325.416 1.918 0 40 EDAB O=C(COc1ccc(F)cc1)NCCn1nc2c(cc1=O)CCCC2 575605935 BEQVJQQFUDLCPN-UHFFFAOYSA-N 345.374 1.456 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)Cc1cccc2cccnc12 585287723 CFHXLQHRUOKNRR-MDZRGWNJSA-N 344.411 1.665 0 40 EDAB CNC(=O)CC[C@@]1(O)CCCN(CC(=O)N(C)C2CCCCC2)C1 585278069 LMKOXNRFVQPKEN-SFHVURJKSA-N 339.480 1.131 0 40 EDAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCOCC2)C1 585095389 UIWZNKSWRJTXMH-HNNXBMFYSA-N 334.420 1.061 0 40 EDAB O=C(CN1CCCCCCC1=O)N[C@@H](C(=O)O)c1ccccc1F 678986304 FDPUJVXRFLEOQH-MRXNPFEDSA-N 336.363 1.860 0 40 EDAB CN1C[C@H](C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CC1=O 47431176 OMCPRRZGSFEUDO-OAHLLOKOSA-N 333.407 1.338 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)s1 54838695 FOBSNACQZFHJIY-UHFFFAOYSA-N 328.401 1.685 0 40 EDAB Cc1ccnc2nc(C(=O)NCc3ccccc3Cn3cccn3)nn12 53673932 GJSQSJUSFXKYQG-UHFFFAOYSA-N 347.382 1.608 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)c2nc(N3CCCCC3)ncc2Cl)C1 53895027 LNVHHJOAYRRVJG-JTQLQIEISA-N 337.811 1.068 0 40 EDAB Cc1noc([C@H](C)N2CCN(CCC(=O)N3CCCCC3)CC2)n1 69386175 XZOSNYHOUQLLJF-AWEZNQCLSA-N 335.452 1.459 0 40 EDAB CC(C)C(=O)N1CCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CC1 69349529 HCFRWYNGUKFOBV-UHFFFAOYSA-N 346.435 1.179 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(CC(=O)NC3CCCCC3)CCO2)n1 69349962 PTOBJYUHBBQIAX-QGZVFWFLSA-N 334.464 1.650 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)c2cncc(O)c2)CCO1 1615143159 HZPJXHRVYOEANI-IBGZPJMESA-N 342.395 1.542 0 40 EDAB N[C@@H]1C[C@@H]2C[C@@H](C(=O)NCC3CCN(CC(F)(F)F)CC3)C[C@@H]21 1615616174 IMHAQJDYEGCFHQ-RFQIPJPRSA-N 333.398 1.750 0 40 EDAB CCN1C(=O)[C@H]2CN(C(=O)c3ccccc3)CCN2C12CCOCC2 1772595199 BLTPLOLKRFFRQP-MRXNPFEDSA-N 343.427 1.182 0 40 EDAB COc1cc(OC)cc(C(=O)NCC(=O)N(C)Cc2ccc(C)o2)c1 5173075 CQFFNFYFAGVKCT-UHFFFAOYSA-N 346.383 1.994 0 40 EDAB COc1ccccc1N1C[C@@H](NC(=O)CC[C@@H]2CCCO2)CC1=O 19570985 BCWGFFHEKBUIRR-KBPBESRZSA-N 332.400 1.876 0 40 EDAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC[C@H](C)N1CCCC1 19577614 ZXPQXXBFZWPCFA-VIFPVBQESA-N 336.408 1.658 0 40 EDAB COC(=O)c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)ccc1Cl 169617863 FCBUFYFFWZMHFV-PFHKOEEOSA-N 347.754 1.960 0 40 EDAB Cc1cc(Nc2nccs2)nc([C@H]2CCCN(C(=O)CN)C2)n1 643550494 IKUJCSWFTHAGKD-NSHDSACASA-N 332.433 1.650 0 40 EDAB Cc1nccn1CCCNC(=O)N1CCC(N2CCCC2=O)CC1 591566617 KJRSWPIAWKCJFJ-UHFFFAOYSA-N 333.436 1.378 0 40 EDAB CC(=O)N1CCC(C(=O)Nc2cnn(C[C@@H]3CCCCO3)c2)CC1 390827721 JLIOPPXERKEUGO-INIZCTEOSA-N 334.420 1.649 0 40 EDAB O=S(=O)(C1CC1)N1CCN(c2ncnc3cc(F)ccc23)CC1 1888863727 BVTBVDYJTWZQBQ-UHFFFAOYSA-N 336.392 1.383 0 40 EDAB Cn1c(N2C[C@H]3CN(C(=O)c4cnccn4)C[C@H]3C2)nc2ccccc21 1888888356 BISCTDXVCGLTFC-OKILXGFUSA-N 348.410 1.572 0 40 EDAB Cc1cc(-c2ncccc2C[C@H]2CCCN(S(C)(=O)=O)C2)n[nH]1 1848352116 QWSWQIFEGLHYNY-CYBMUJFWSA-N 334.445 1.994 0 40 EDAB CC[C@@H]1CN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)CCO1 29153936 YISDAVWPLMOMMF-KBOKABMXSA-N 326.400 1.977 0 40 EDAB Cc1noc([C@H]2CN(S(=O)(=O)N(C)C)C[C@H]2c2ccccc2)n1 238861967 KWGQJWJCXQLWPJ-KBPBESRZSA-N 336.417 1.367 0 40 EDAB COc1cccc(OC)c1CN1CCO[C@]2(CCCCN(C)C2=O)C1 2037984378 YURJNPJJBKUOJB-LJQANCHMSA-N 348.443 1.917 0 40 EDAB O=C(c1cc[nH]n1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 949307113 DEZHIYLELWCYNW-UHFFFAOYSA-N 341.415 1.312 0 40 EDAB CSc1nc(C)c(C)c(N2CCN(c3ccc(=O)n(C)n3)CC2)n1 2086861261 CUOMNSJYKLFWCH-UHFFFAOYSA-N 346.460 1.236 0 40 EDAB C[C@H]1CN(c2ccc3nncn3n2)CCN1Cc1ccncc1F 2086968237 ZQDPHWKQVJKXDF-LBPRGKRZSA-N 327.367 1.369 0 40 EDAB CC(C)N(C)CC(=O)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 1565550014 MNUJRYMSGRFXTG-AOIWGVFYSA-N 347.459 1.697 0 40 EDAB CCN(CC)CCCNC(=O)Cn1c(=S)[nH]c2ccccc2c1=O 3043426 PENNDIBXGCRJPD-UHFFFAOYSA-N 348.472 1.907 0 40 EDAB C[C@H]1O[C@@H](Nc2ccc(OC(F)(F)Cl)cc2)[C@@H](O)[C@@H](O)[C@H]1O 4185485 SSZQWCRMTHHHNO-FXFBJLSPSA-N 339.722 1.094 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCCO3)cc1 8961786 BIMRUUZYBOAALI-UHFFFAOYSA-N 332.381 1.918 0 40 EDAB CC[C@H](C)CNC(=O)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055716091 YQWAXYWIDUPQMM-STQMWFEESA-N 332.448 1.890 0 40 EDAB COc1ccc(S(=O)(=O)N2CC(Oc3nccs3)C2)cc1C 208033160 GDLSRZNPLNDLHU-UHFFFAOYSA-N 340.426 1.912 0 40 EDAB COCCNC(=O)Nc1nnc(SCc2cccnc2)s1 35590165 OHAAELORNKMPNI-UHFFFAOYSA-N 325.419 1.993 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CC[C@@H](Oc2ncccn2)C1 575611120 ULARDQPKUIGZND-CYBMUJFWSA-N 342.355 1.568 0 40 EDAB CN(C)c1ccc(NC(=O)C(=O)NC[C@](C)(O)c2cccs2)cc1 75155934 YSEKHYBWAZOJRH-KRWDZBQOSA-N 347.440 1.777 0 40 EDAB O=C(N/C(=C\c1ccco1)C(=O)N1CCOCC1)c1ccccc1 4837436 QXVAJZPBNHIOOY-SSZFMOIBSA-N 326.352 1.909 0 40 EDAB C[C@H](NC(=O)Cn1ccccc1=O)c1ccc2c(c1)OCCCO2 40498592 DTQBQUJTWAKBEQ-ZDUSSCGKSA-N 328.368 1.887 0 40 EDAB Cc1ccc(CN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)o1 40554940 YFCMOORXYJKQTL-ZDUSSCGKSA-N 328.434 1.102 0 40 EDAB CC[C@H](C)C(=O)NCC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 40556281 KSMFXMXHGPDBLI-NSHDSACASA-N 329.404 1.985 0 40 EDAB CSCC[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)c1nc2ccccc2[nH]1 40543630 QBFGZKGTSQCDHL-BXUZGUMPSA-N 346.456 2.000 0 40 EDAB CC(C)c1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccccn1 40513502 WJVFDUOPVLSLLB-GFCCVEGCSA-N 348.428 1.308 0 40 EDAB CN(CCCNC(=O)c1cccc(-n2cccc2)c1)S(C)(=O)=O 40515410 NHHRSADPBLEZLM-UHFFFAOYSA-N 335.429 1.489 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(CCOc2cccc(F)c2)c1 32326982 ODZZXYXEKBLJPU-UHFFFAOYSA-N 340.376 1.317 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)C1CCN(C(=O)C2CC2)CC1 101177172 JFGOWDBGBBZVLW-JONQDZQNSA-N 348.443 1.339 0 40 EDAB CCN(CC)C[C@H](O)Cn1c2c(c3ccccc31)CCN(C)C2=O 202094 NUXCKAZLYDJUGI-AWEZNQCLSA-N 329.444 1.972 0 40 EDAB biogenic COCCNC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8040832 HQVKDNWGGAMGKW-UHFFFAOYSA-N 348.852 1.649 0 40 EDAB C[C@H](NC(=O)Nc1cccc(Cn2cncn2)c1)C(=O)NC(C)(C)C 69894153 URJOUMRBQJOULL-LBPRGKRZSA-N 344.419 1.751 0 40 EDAB O=S(=O)(c1ccc(F)cc1F)N1CCCC[C@H]1C1OCCO1 60348848 MHUPCOIZECKPKQ-LBPRGKRZSA-N 333.356 1.881 0 40 EDAB CC(C)CN1C[C@H](C(=O)Nc2ccc(-n3cncn3)nc2)CC1=O 29891877 TZIQAHHEJJVXMN-GFCCVEGCSA-N 328.376 1.105 0 40 EDAB C[C@@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)NC(C)(C)C 32776093 UANWQJHJPYJSPT-SNVBAGLBSA-N 327.402 1.550 0 40 EDAB COc1cc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1C 84187997 ZKFCDLGZSRVZKW-IRXDYDNUSA-N 332.444 1.604 0 40 EDAB Cc1cc([C@H]2CCCN(C(=O)CCS(=O)(=O)CC(C)C)C2)n[nH]1 84110455 FSXIMGWZLBKCIW-AWEZNQCLSA-N 341.477 1.885 0 40 EDAB O=C(N[C@@H]1C(=O)NN[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 465610 NBWUKGASCBKUCZ-KBPBESRZSA-N 333.750 1.953 0 40 EDAB O=C(O)CNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 4976783 SUJLBQJPANEUCK-WQLSENKSSA-N 348.742 1.905 0 40 EDAB C[C@H](CO)CCNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C 6437126 SYUWUCOJHCSYKU-LBPRGKRZSA-N 349.435 1.989 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Br)cc1 7644936 GGJKQHVZBQSIKO-VHSXEESVSA-N 343.221 1.857 0 40 EDAB Cc1csc(=O)n1CC(=O)O[C@H](C)C(=O)NC1CCCCC1 7673459 OSSUFGDLSDLOBJ-LLVKDONJSA-N 326.418 1.599 0 40 EDAB CCc1c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)[nH]c(C)c1C(C)=O 97002017 LPXWKUZUMRKJDH-CYBMUJFWSA-N 348.491 1.701 0 40 EDAB Cc1ccc([C@@H](O)CNC(=O)Cn2c(=O)n(C)c3ccccc32)cc1 41456903 XJHRQPRIWSVQBQ-KRWDZBQOSA-N 339.395 1.498 0 40 EDAB CCCCNC(=O)Cn1nc(C)c(S(=O)(=O)NC(C)(C)C)c1C 8329221 OQSYRRQWSBWAQC-UHFFFAOYSA-N 344.481 1.493 0 40 EDAB CC[C@@H](NC(=O)c1ccc(CNC(=O)[C@H]2CCCO2)cc1)C(=O)O 33520400 QCKAQRKQYRREBJ-ZIAGYGMSSA-N 334.372 1.075 0 40 EDAB Cc1cnc(N2CCC[C@@]3(C[C@@H](Oc4ncccn4)CO3)C2)nc1 107228179 IXUULKUASZXHNM-RHSMWYFYSA-N 327.388 1.782 0 40 EDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101268975 FIERBIPPSYHFNK-SDDRHHMPSA-N 328.409 1.907 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 25516432 RIMBQBSWWLHETA-INIZCTEOSA-N 348.399 1.167 0 40 EDAB CCn1cc(Br)cc1C(=O)N1CCO[C@H](C(=O)O)C1 43702615 YZWGEVMGXSARCA-JTQLQIEISA-N 331.166 1.196 0 40 EDAB CCn1cc([C@@H]2OCC[C@@H]2CN[C@H](C)C(=O)Nc2cc(C)on2)cn1 107353850 YOMHKZWEDPNHSY-XJKCOSOUSA-N 347.419 1.894 0 40 EDAB Cn1ccc(C(=O)N2CCO[C@@H](c3nc(C(C)(C)C)n[nH]3)C2)cc1=O 76046307 FRLBJNDOENVRGN-GFCCVEGCSA-N 345.403 1.015 0 40 EDAB O=C(NCCNS(=O)(=O)c1ccc(F)c(F)c1F)c1ccoc1 57008713 OAUSDJSDFXIYKI-UHFFFAOYSA-N 348.302 1.405 0 40 EDAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)CS2 26329750 QSHJWTBNYQYIIU-ABAIWWIYSA-N 332.385 1.249 0 40 EDAB O=C1CN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CCN1 57697444 UXOCRTLHDUNKJG-UHFFFAOYSA-N 340.408 1.583 0 40 EDAB Cc1csc(CNC(=O)NCc2ccc(N3CCOCC3)nc2)n1 27339268 AWYBIYHQUUFFAP-UHFFFAOYSA-N 347.444 1.683 0 40 EDAB CCN1CCN(C(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)CC1 102833673 OIUOVNLVTAJWKV-XYCLOBBJSA-N 343.475 1.738 0 40 EDAB CCOCC(=O)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 108529702 ZJTIYQOVOVMJKA-UHFFFAOYSA-N 345.443 1.849 0 40 EDAB O[C@H]1O[C@@H]2CC[C@@H]3C[C@@H]4[C@H]5C[C@H]6CC[C@H]7O[C@@H](O)[C@H]([C@@H]5[C@@H]67)[C@H]1[C@H]4[C@H]32 104290457 LLQSWWSEGPPGKJ-NSRDYWLTSA-N 332.440 1.991 0 40 EDAB CC(C)CC[C@@H](C)NC(=O)CN1C(=O)N[C@@]2(CCSC2)C1=O 27491414 KBFPCQCQGAKMOV-IAQYHMDHSA-N 327.450 1.355 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)NCCN1CCCCCC1=O 48171297 WYVJDHSZQTVCCM-UHFFFAOYSA-N 347.415 1.660 0 40 EDAB Cc1ccc(CNC(=O)CN2CCN(c3cnccn3)CC2)cc1F 27635102 ZYLBRISUIRSXLC-UHFFFAOYSA-N 343.406 1.363 0 40 EDAB CC1CCC(O)(Cn2cnc3c(nnn3-c3ccccc3)c2=O)CC1 76082612 BNCMCSLDHBDOSR-UHFFFAOYSA-N 339.399 1.918 0 40 EDAB C[C@H]1CN(CCNC(=O)COCCOc2ccccc2)C[C@H](C)O1 48290054 MXKNMFALKOHDKR-HOTGVXAUSA-N 336.432 1.307 0 40 EDAB CCOCCOc1c(Cl)cccc1NCC(=O)N1CCNC1=O 58291824 LMELLFFVPFVUJW-UHFFFAOYSA-N 341.795 1.719 0 40 EDAB COc1ccc(OC)c(CNC(=O)N2CCC[C@@H](NC(C)=O)C2)c1 44967850 HHUFOAJGSNVNSR-CQSZACIVSA-N 335.404 1.514 0 40 EDAB CCO[C@@H](CC)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 58343677 VGBVLEIGJPLAKX-HNNXBMFYSA-N 344.419 1.126 0 40 EDAB COc1ccc(C)cc1CN1CCC(N(C)S(C)(=O)=O)CC1 58393897 SUHMXHFCFLRSJG-UHFFFAOYSA-N 326.462 1.859 0 40 EDAB COc1ncccc1CNC(=O)c1ccc(N2CCNC2=O)cc1 45076315 HJBLYZGAKYBYDA-UHFFFAOYSA-N 326.356 1.550 0 40 EDAB COc1ccc(OC[C@@H](O)Cn2cnc3ncccc3c2=O)cc1 58434678 AWVJUBWUUAZLQR-LBPRGKRZSA-N 327.340 1.240 0 40 EDAB C[C@H]1C(=O)N(CC(=O)N2CCO[C@H](C)C2)C(=O)N1c1ccc(F)cc1 10909438 DEYNSRCYCPDZMU-NEPJUHHUSA-N 349.362 1.230 0 40 EDAB CCn1nc(C)c(S(=O)(=O)NC[C@H](C)Cn2nccc2C)c1C 36614597 CAIVWDINTRLHMM-NSHDSACASA-N 339.465 1.639 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12753474 UGVPFGRXFWEWKS-HQZHTGGTSA-N 337.430 1.973 0 40 EDAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 29204483 VXXXBVWREKASQP-YPMHNXCESA-N 344.408 1.133 0 40 EDAB Cn1ncc2c(SCc3cc(=O)n4ccsc4n3)ncnc21 11679220 XJCRAIWFMZSLKU-UHFFFAOYSA-N 330.398 1.725 0 40 EDAB C[C@]1(c2cccs2)NC(=O)N(C[C@H](O)COc2ccccc2)C1=O 48345619 ULEWAXZDQCFLQM-YVEFUNNKSA-N 346.408 1.955 0 40 EDAB CCCNC(=O)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 8274757 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1.501 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nc2ccccc2[nH]1 5171130 XKGFTVBHZAQLQE-UHFFFAOYSA-N 346.368 1.471 0 40 EDAB CC(C)[C@@H](CNC(=O)NCc1ccc2c(c1)OCO2)N1CCOCC1 13964385 WYQJIDGSXSFBDT-OAHLLOKOSA-N 349.431 1.571 0 40 EDAB CS(=O)(=O)NCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 69521525 TZKHGKLRPUTWOB-UHFFFAOYSA-N 344.396 1.718 0 40 EDAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2 5200946 OIQLFBDPJBYVPE-CABZTGNLSA-N 326.399 1.064 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)NCC(=O)Nc2cn[nH]c2)c1C 69520212 CPRQRTKTVYGKCJ-UHFFFAOYSA-N 338.371 1.581 0 40 EDAB c1ccc2c(c1)C[C@@H](CNCc1cnc(N3CCOCC3)nc1)CO2 65465152 GBSNXDHQUYPZRB-HNNXBMFYSA-N 340.427 1.654 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CSc1ccccc1 69532198 SODATWUKWINJCO-INIZCTEOSA-N 349.500 1.838 0 40 EDAB CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1 4416036 RDAMITSUPFEENV-UHFFFAOYSA-N 325.434 1.688 0 40 EDAB COc1cc(CNC[C@@H]2CN(C3CC3)CCO2)c2c(c1)C[C@@H](C)O2 69589886 JFVFHRNORNLIJM-FZKQIMNGSA-N 332.444 1.971 0 40 EDAB 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CCC(=O)N1CC[C@@H](NCc2c(C)nn(CCO)c2C)[C@@H](CC)C1 89948800 HQVTZKSSWATQRA-DOTOQJQBSA-N 336.480 1.619 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccccc3)C[C@@H]1C2 306131705 KNHVCEJYACAJCD-JKSUJKDBSA-N 339.443 1.721 0 40 EDAB Cc1nc(CCNS(=O)(=O)c2ccc(F)cc2)sc1C(=O)O 548535913 XNZPHLRQSOGBDA-UHFFFAOYSA-N 344.389 1.810 0 40 EDAB Cc1cc(NCc2cnc(C)nc2N)n2nc(C(F)(F)F)nc2n1 521398461 HRJNURUMJQYITD-UHFFFAOYSA-N 338.297 1.744 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(=O)O 71335129 HMARZUXPCKWLQH-MEBBXXQBSA-N 349.412 1.587 0 40 EDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)CCc1ccccc1 71980161 DZTXWHRXIYQWNH-INIZCTEOSA-N 346.427 1.743 0 40 EDAB COC1CCC(NCCNS(=O)(=O)c2ccc(C)cc2)CC1 183141882 NURFULKMLIQTQM-UHFFFAOYSA-N 326.462 1.821 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@@]1(COC)C(N)=S 218580501 VMVORXNUJKQNGT-YRGRVCCFSA-N 331.434 1.645 0 40 EDAB CCn1c(Nc2ccc3c(c2)OCO3)nc2c(C)nn(C)c2c1=O 32651764 KIIYCSNBANSNPC-UHFFFAOYSA-N 327.344 1.931 0 40 EDAB 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Cc1cc(C)c(CNS(=O)(=O)N=[S@](C)(=O)N(C)C)c(C)c1 585115619 KVLISCVUBFVKSX-FQEVSTJZSA-N 333.479 1.521 0 40 EDAB O=C(NCCc1ccco1)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 585122030 KXCOLUFIAZOCIC-UKRRQHHQSA-N 343.301 1.749 0 40 EDAB COC1(CS(=O)(=O)NCc2noc(-c3cccs3)n2)CCC1 585115895 YUHRTOWMHGCJMC-UHFFFAOYSA-N 343.430 1.787 0 40 EDAB CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cnn2ccc(C=O)cc12 585140839 JYFSOHSODRHPEM-GFCCVEGCSA-N 329.278 1.532 0 40 EDAB Cc1cc(C)c(C(=O)N2CC(S(=O)(=O)c3nncn3C)C2)c(C)c1 252487484 HWRJQTDXSJMRHX-UHFFFAOYSA-N 348.428 1.039 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)ncn1 257267588 MHYZRYIPMRGATN-INIZCTEOSA-N 344.415 1.793 0 40 EDAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@@H]2CCN(C(=O)CO)C2)n1 257315920 VDGRNAYGMANOJE-GFCCVEGCSA-N 347.444 1.910 0 40 EDAB Cn1cncc1-c1cncc([C@@H]2CCCN(C(=O)c3cncnc3)C2)n1 257208369 BLXXQIWGCNRPLI-CYBMUJFWSA-N 349.398 1.687 0 40 EDAB CN(C)Cc1nccnc1C1CCN(C(=O)c2ccccn2)CC1 257222959 DVHLQTWHUNLVON-UHFFFAOYSA-N 325.416 1.953 0 40 EDAB Cc1cnc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)Cn4cccn4)C[C@@H]32)cn1 257211641 BZQXPWCCQUEVSV-OWCLPIDISA-N 340.431 1.355 0 40 EDAB O=S(=O)(c1ccccc1)N1CCN(c2ccnc(C3CC3)n2)CC1 264599029 BBQRHMKQCGFFSO-UHFFFAOYSA-N 344.440 1.865 0 40 EDAB COCCS(=O)(=O)c1ccc(NC(=O)N2CCSCC2)cc1 265004210 MKCSJACIMRBFGA-UHFFFAOYSA-N 344.458 1.687 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 592756664 ACLJBTIOMHMPDW-AWEZNQCLSA-N 346.456 1.784 0 40 EDAB CCNc1ncc(C(=O)N[C@H]2CCN(c3nc(C)cc(O)n3)C2)s1 1616037179 AXVVDVGTJLCPMD-JTQLQIEISA-N 348.432 1.388 0 40 EDAB CCOc1ccc(CNS(=O)(=O)[C@@H]2CC[C@@H](C(=O)OC)C2)cc1 1616041291 NWJJZPCVKCTLTP-UKRRQHHQSA-N 341.429 1.846 0 40 EDAB O=C([C@@H]1CCCN1C(=O)C1CC1)N1CCCn2ncc(C3CC3)c21 1616043722 CSBGWDPSQTZHHY-HNNXBMFYSA-N 328.416 1.898 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CC2(CCN(C(=O)[C@H](C)O)CC2)O1 1616031949 GWVQDLFXVGXPHX-HOTGVXAUSA-N 332.444 1.649 0 40 EDAB O=C(Cn1cnc(C(F)F)cc1=O)N1CCO[C@@H]2CCCC[C@@H]21 291556239 BQIHFOYFEAXPJC-NWDGAFQWSA-N 327.331 1.351 0 40 EDAB Cn1nccc1C(=O)NC1CCN(c2nc3cccnc3s2)CC1 575603998 NSUTWDCKUAGCNG-UHFFFAOYSA-N 342.428 1.824 0 40 EDAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2cccc(NC)n2)C1 585276249 FEPGAEZMSVYWSY-QGZVFWFLSA-N 334.420 1.271 0 40 EDAB Cc1ccc2nc(CNC(=O)c3ccnc(-n4cncn4)c3)cn2c1 54119105 YMZMZJNYUWRYJR-UHFFFAOYSA-N 333.355 1.548 0 40 EDAB CN(CCNC(=O)CCNC(=O)OCC(F)(F)F)c1ccccc1 57193946 WBFUERQVIVZASO-UHFFFAOYSA-N 347.337 1.918 0 40 EDAB CCOc1cc(C)c(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OCC 5018859 VOTJXSXZXZRLAV-KPKJPENVSA-N 348.355 1.770 0 40 EDAB CCc1onc(C)c1C(=O)N1CC[C@H](c2cc(O)nc(N(C)C)n2)C1 12406517 UOFJIXMPRWIKDI-NSHDSACASA-N 345.403 1.737 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)O 13027070 QVXSKGGOWRQGSA-AWEZNQCLSA-N 349.408 1.978 0 40 EDAB C[C@@H]1[C@@H](C)N(C(=O)c2cc3ccccc3c(=O)o2)[C@H](C)C(=O)N1C 585127333 XMXRYWGPLKLUGY-IJLUTSLNSA-N 328.368 1.873 0 40 EDAB Cc1noc(C)c1C(=O)NCCn1nc(C(F)(F)F)ccc1=O 1888844470 QTSUULWOPLKHCX-UHFFFAOYSA-N 330.266 1.297 0 40 EDAB Cn1ccc(CN2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)cc1=O 1888849568 YDDMAVXYUYYTSC-IYBDPMFKSA-N 337.379 1.007 0 40 EDAB Cc1ccc(N2C[C@H]3CN(c4cc(C)nc5ncnn45)C[C@@H]3C2)nn1 1888897217 TYFQHNPBWNTIFE-KBPBESRZSA-N 336.403 1.104 0 40 EDAB O=C1OCCN1[C@H]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 853806255 BHWJZNIMTFUFNU-QMMMGPOBSA-N 342.281 1.174 0 40 EDAB O=C(Nc1nc[nH]n1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 26262857 RLYRWGDNTIMWHG-LLVKDONJSA-N 333.779 1.949 0 40 EDAB COc1ccc(C(=O)N2CC3(C[C@@H](NCC4CC4)CS3)C2)cn1 2056223680 AGWMQOXOMLFZGF-CQSZACIVSA-N 333.457 1.790 0 40 EDAB Cc1ccc(C(=O)N2CCc3ncc(CN4CCCC4)n3CC2)cn1 1147162608 QZCBFIOKGSRQMI-UHFFFAOYSA-N 339.443 1.881 0 40 EDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)CCc3cncnc3)C2)n1 1565549107 PXZYWSZQNKFJOV-RRFJBIMHSA-N 343.387 1.274 0 40 EDAB C[C@@]12CC(=O)[C@@](C)(C1)[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]12 4452034 QBBIKAMODROGHL-XHSVMWQWSA-N 327.336 1.880 0 40 EDAB O=C(Nc1cccnc1)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055714790 RPFMZISVNHEYEO-CYBMUJFWSA-N 339.399 1.619 0 40 EDAB COc1ccc(C)c2s/c(=N\C(=O)CN3C(=O)CCC3=O)n(C)c12 100909088 JEDQLFQJHOMSLL-MSUUIHNZSA-N 347.396 1.133 0 40 EDAB O=C(NC1CC1)[C@H]1CN(c2ncccc2Br)CCO1 2086850142 HLKIYSALSRGYPG-LLVKDONJSA-N 326.194 1.328 0 40 EDAB CCN(CC)c1ccc(CNC(=O)[C@H]2C(=O)NC[C@H]2C(C)(C)C)cn1 585149552 GNCXKMSKHYYVFM-ZBFHGGJFSA-N 346.475 1.952 0 40 EDAB Cc1cc(CCC(=O)N2CC(N3C(=O)[C@H]4C[C@H]4C3=O)C2)ccc1Cl 585387724 SUFXRCGIDWNNKT-OKILXGFUSA-N 346.814 1.797 0 40 EDAB CCc1ncnc(N2CCN(c3ccn4nccc4n3)CC2)c1F 2298209800 ZHJBMYODEDQSJK-UHFFFAOYSA-N 327.367 1.547 0 40 EDAB COc1ncccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 31320127 OAOGWZHQNKJIKP-ZDUSSCGKSA-N 343.358 1.899 0 40 EDAB CS(=O)(=O)c1cc(S(=O)(=O)NCc2cccs2)ccc1F 40556374 NFIGXWFZBZRQRV-UHFFFAOYSA-N 349.430 1.769 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)nc1 40553326 BYBPTHQQSOJSGH-AWEZNQCLSA-N 347.396 1.556 0 40 EDAB CCN(Cc1ccccc1)C(=O)[C@H](C)S(=O)(=O)c1nncn1C 40539993 LVNAFFVAINNCAC-LBPRGKRZSA-N 336.417 1.026 0 40 EDAB CCCN(C[C@H](O)Cn1cccn1)C[C@@H]1COc2ccccc2O1 51688179 MSJBYTCKLCEETN-JKSUJKDBSA-N 331.416 1.796 0 40 EDAB C[C@H]1CN(C(=O)C2CCN(C(=O)c3cccnc3)CC2)C[C@@H](C)O1 29748110 NUEGUCFFMDZMBQ-OKILXGFUSA-N 331.416 1.570 0 40 EDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 32636519 WNLZJTKSRKQEFH-MRXNPFEDSA-N 333.344 1.117 0 40 EDAB CCCc1n[nH]c([C@H]2CN([C@@H](C)C(=O)Nc3cc(C)no3)CCO2)n1 76049068 JXLZHRWOZKHSSH-NWDGAFQWSA-N 348.407 1.454 0 40 EDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)nc1 32902531 WYZQBAXFZPMHGC-CYBMUJFWSA-N 348.447 1.085 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1 6345592 VGMDWKZHDOBSCZ-UHFFFAOYSA-N 345.417 1.332 0 40 EDAB COc1ccc(N(CCCC(=O)N(C)C)S(C)(=O)=O)cc1Cl 10362561 WNNBXIMGNTZWSB-UHFFFAOYSA-N 348.852 1.983 0 40 EDAB Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccncc1 533055 DMKRUOAFHSRLMJ-UHFFFAOYSA-N 344.375 1.924 0 40 EDAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@]2(CCSC2)C1=O 22612885 QASBUHJBOYJFTB-MRXNPFEDSA-N 334.397 1.825 0 40 EDAB O=C(c1cnccn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 22926485 BHVYJMMHOPUVKC-UHFFFAOYSA-N 337.305 1.853 0 40 EDAB C[C@H]1CN(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CCO1 72235868 PHLASWJVMIMUQL-FUHWJXTLSA-N 346.475 1.405 0 40 EDAB Cc1ccc(SCC(=O)N2CCN(CC[S@@](C)=O)CC2)cc1 76020361 OWYIJIONVXPTNC-QFIPXVFZSA-N 340.514 1.610 0 40 EDAB CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CCCCC1 24444781 RBMBDWVBKGTUHU-UHFFFAOYSA-N 330.388 1.037 0 40 EDAB Cc1c(C(=O)N[C@@H](C(N)=O)c2ccccc2)nnn1-c1ccccc1 55099389 PYGYEBWGRMOSMG-MRXNPFEDSA-N 335.367 1.532 0 40 EDAB O=C(CNC(=O)c1ccc(-n2ccnc2)nc1)OCc1ccccc1 24566590 FHOXICNYFMMRAI-UHFFFAOYSA-N 336.351 1.741 0 40 EDAB CC(C)[C@H](C(=O)NCc1ccc(C(N)=O)cc1)N1C[C@@H](C)O[C@H](C)C1 106153703 PGVWWLQGJVXNCF-CKEIUWERSA-N 347.459 1.536 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(C[C@@H](O)COCc3ccco3)C2)n1 106785701 NBTPVMBQADSYPL-DLBZAZTESA-N 348.447 1.778 0 40 EDAB Cc1nn(C)c(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1C 106719053 MEGGZFWNVMQBLL-UHFFFAOYSA-N 348.428 1.611 0 40 EDAB CS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 107712784 GLKDVGJWKANBCG-HIFRSBDPSA-N 344.408 1.430 0 40 EDAB O=C1CCN(C(=O)Cn2c(=O)oc3ccccc32)c2ccccc2N1 72288070 KEJZPTZHOPEZPI-UHFFFAOYSA-N 337.335 1.970 0 40 EDAB O=C(CN1CSCC1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 25836316 JVKURIOICYRWGF-UHFFFAOYSA-N 344.440 1.802 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)N[C@H]1CCN2CCCC[C@H]12 43889816 IMHCQNPUSSTEST-LSDHHAIUSA-N 331.416 1.884 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)CCCN3CCCC3=O)C2)no1 72234580 LYZQPRIJBDRPLE-OAHLLOKOSA-N 335.452 1.287 0 40 EDAB CN(CCN1CCCC[C@@H]1CNC(=O)OC(C)(C)C)S(C)(=O)=O 84240535 FOOXEBNFZQYLAE-CYBMUJFWSA-N 349.497 1.257 0 40 EDAB CCc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)[nH]n1 108364186 SCZJKIACZIYNRZ-YJBOKZPZSA-N 342.443 1.585 0 40 EDAB CCN(CC)C(=O)CN1CCN(C(=O)Nc2ccc(OC)cc2)CC1 57941184 DPZNEGDWMOXNLR-UHFFFAOYSA-N 348.447 1.713 0 40 EDAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CCCO1 27394272 QVTNHMKOACSJHW-LSDHHAIUSA-N 336.457 1.833 0 40 EDAB COc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)N(C)C 10027947 KBGCRVPRLDHOLS-UHFFFAOYSA-N 340.445 1.818 0 40 EDAB CCCNC(=S)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 58298344 ZFKOYGPJCZMYLI-CQSZACIVSA-N 326.487 1.960 0 40 EDAB COc1ccccc1SCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 58278765 WGUGQXRQNKLHEU-NSHDSACASA-N 329.443 1.433 0 40 EDAB CCCc1noc([C@H](C)N2CCN(c3nccc(OC)n3)CC2)n1 58226031 BMTVRPMSTDXWHZ-LBPRGKRZSA-N 332.408 1.704 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)N3CCC(O)CC3)c2O1 44971266 NZPVTYQITGJDKB-UHFFFAOYSA-N 334.416 1.945 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)NC[C@H](C)N2CCOCC2)n1 44954617 JEMDUXUDCNCOIQ-CJNGLKHVSA-N 337.468 1.156 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 44977436 RXQBVZTVCNJSLO-NSHDSACASA-N 342.446 1.312 0 40 EDAB Cc1ccnc2nc(C(=O)Nc3ncn(Cc4ccccc4)n3)nn12 58325517 NLEJMXKJADXZHO-UHFFFAOYSA-N 334.343 1.325 0 40 EDAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 3322662 VRNFJIVKOIWOIG-QGZVFWFLSA-N 335.379 1.799 0 40 EDAB CN(CCOc1ccccc1F)C(=O)NC[C@@H]1CCS(=O)(=O)C1 45675640 BHCXCYLEEXSRQU-LBPRGKRZSA-N 344.408 1.281 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)C2CC2)cc1 29269802 HDGGEMRYNWHYJQ-UHFFFAOYSA-N 334.397 1.993 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2ccccc2cc1O 3348378 YZYKZLCKTKRHKS-JTQLQIEISA-N 330.340 1.936 0 40 EDAB NC(=O)CCc1nnc(SCC(=O)N2CCCCC2)n1C1CC1 12747242 SHFAFVIQQCHYED-UHFFFAOYSA-N 337.449 1.136 0 40 EDAB C[C@@H](NC(=O)N[C@H](C)c1ccccn1)c1ccc(S(N)(=O)=O)cc1 48363104 WDGZDHHWUKNVPJ-VXGBXAGGSA-N 348.428 1.850 0 40 EDAB CCN1C[C@H](CN(C)C(=O)NCCCC(N)=O)Oc2ccccc21 48313983 GHNCTIKPMWUORQ-ZDUSSCGKSA-N 334.420 1.181 0 40 EDAB CN(C)Cc1ccccc1CNC(=O)c1ccc(-n2cnnn2)cc1 12858714 XQCKARNORFEFQW-UHFFFAOYSA-N 336.399 1.654 0 40 EDAB Cc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c(O)c1 3494687 NFZFPEWGKJEHKO-UHFFFAOYSA-N 343.335 1.903 0 40 EDAB NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2O)c1 12988674 JDLSPQOYQRYBKF-UHFFFAOYSA-N 326.761 1.945 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccc(OCC3CC3)nc2)CC1 69567869 WAUNDQGXJCHXFW-UHFFFAOYSA-N 332.404 1.277 0 40 EDAB CCOc1ccc2c(c1)C[C@H](C(=O)NCCC(=O)N1CCCC1)CO2 69507814 YYBDHJRENLVIST-HNNXBMFYSA-N 346.427 1.765 0 40 EDAB C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CCCO1 69509445 QGERTYFWGWOFKB-OIBJUYFYSA-N 347.293 1.016 0 40 EDAB CCOCCN1CCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 69652498 URWANZXLSQDGGU-HNNXBMFYSA-N 337.468 1.445 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCN(C[C@@H](C)O)CC1 69652352 YVNNPKDKCNIAOJ-ZNMIVQPWSA-N 337.468 1.180 0 40 EDAB Cc1nc(C)c(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)s1 69770475 DEHOFAHEBNYNEP-UHFFFAOYSA-N 344.440 1.682 0 40 EDAB Cn1cc(CN2CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC2)cn1 69769910 IWYPGVITFKJJDM-QGZVFWFLSA-N 336.386 1.550 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 69704011 WJDJKUAYFICKKC-STQMWFEESA-N 343.431 1.977 0 40 EDAB CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1C[n+]1ccc(C)cc1 13522003 MUSOBRSVNPAEKU-UHFFFAOYSA-O 346.407 1.653 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)NCCc1ccsc1 69737481 DMIYSKGKGOHPMV-SJORKVTESA-N 349.500 1.882 0 40 EDAB COC(=O)C1CCN(C(=O)C(=O)Nc2cccc3ncccc23)CC1 13628894 NPKAETDDALZJMM-UHFFFAOYSA-N 341.367 1.585 0 40 EDAB C[C@H](OC(=O)c1ccccc1O)C(=O)NCc1ccc2c(c1)OCO2 5078126 RFDAUZIDEXBYBX-NSHDSACASA-N 343.335 1.983 0 40 EDAB CCN(C(=O)c1ccc(OC)c(OC)c1)[C@@H](C)CS(=O)(=O)CC 69895835 PPAXCWXBBPNQJL-LBPRGKRZSA-N 343.445 1.989 0 40 EDAB CC(C)Cn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 13817457 RKXQJMQEEHLNLM-UHFFFAOYSA-N 347.463 1.322 0 40 EDAB Cn1c(CSc2nccn2-c2cccc(F)c2)cc(=O)n(C)c1=O 8706443 RGQNZVOQCCNUGQ-UHFFFAOYSA-N 346.387 1.701 0 40 EDAB CC[C@H](CNC(=O)NCc1nncn1-c1ccccc1)N1CCCC1 65439526 JYRITILDTZCOBJ-OAHLLOKOSA-N 342.447 1.941 0 40 EDAB COc1ccccc1-c1cc(C(=O)N2CCN(C(C)=O)CC2)no1 65411627 ADLYTHZSVJHFJO-UHFFFAOYSA-N 329.356 1.655 0 40 EDAB Cc1nc2n(c1C)CCN(CC(=O)N[C@@H]1CCOc3ccccc31)C2 65463065 UOJYFYOKFGIIKY-MRXNPFEDSA-N 340.427 1.956 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CCCN(c3ncccn3)C1)C2 65463411 JSWKREBCXYBDRX-GJZGRUSLSA-N 340.431 1.329 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCNc3ccncc3)CC2=O)cc1 65574995 RQXBFRBAUDPSLF-HNNXBMFYSA-N 338.411 1.971 0 40 EDAB CN1CCCN(c2ccc(CNC(=O)NC[C@@H]3CCCO3)cn2)CC1 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EDAB O=C(NC1(c2nnn[nH]2)CC1)C1(c2cccc(Cl)c2)CCOCC1 97105263 REGOKTUECJJCSC-UHFFFAOYSA-N 347.806 1.707 0 40 EDAB C[C@@H]1CCCN(CCCNC(=O)c2nn(C)c3ccccc3c2=O)C1 71897872 FESFUZZQDKZCDI-CQSZACIVSA-N 342.443 1.785 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 71826887 ZUYNUVUMJCTSJU-CQSZACIVSA-N 346.406 1.179 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)NCCc1nc2ccc(F)cc2n1C 71890928 WBWIWYKUQBTFTF-GXTWGEPZSA-N 349.406 1.955 0 40 EDAB Cc1cc(N[C@@H]2CCCN(Cc3noc(C)n3)C2)n2ncnc2n1 71859533 OAVRQBSQJQQEHJ-GFCCVEGCSA-N 328.380 1.201 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2Cc3ccccc32)cc1 71916673 FMRBXAIFJGPHQV-KRWDZBQOSA-N 344.436 1.692 0 40 EDAB CCOCCCNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl 72307512 HRTBBJAHOHWCSG-UHFFFAOYSA-N 334.781 1.479 0 40 EDAB CN(Cc1cccs1)C(=O)CN(C)[C@H]1CCC[C@@H]1S(C)(=O)=O 84093674 VNRLATHMHXSCIU-KBPBESRZSA-N 344.502 1.604 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 84367424 ZSVYPEJKTYPCHX-UHFFFAOYSA-N 337.228 1.427 0 40 EDAB Cn1cnn(-c2ccc(NC(=O)NC3Cc4ccccc4C3)cc2)c1=O 97377579 IFAKBYWWMQJEJM-UHFFFAOYSA-N 349.394 1.860 0 40 EDAB O=C(Nc1ccc(-n2cnnn2)cc1)Nc1cnn(CC(F)F)c1 72501285 FEKAULIPJFPGRS-UHFFFAOYSA-N 334.290 1.768 0 40 EDAB O=C(NCc1cccnc1)C1CCN(c2ccc3nncn3n2)CC1 20720331 ZKTGWYHJJPTNDH-UHFFFAOYSA-N 337.387 1.052 0 40 EDAB Cc1ccc(C(=O)NC2(C(=O)O)CCCC2)cc1S(C)(=O)=O 95350841 YRQXEUGLHWPWOD-UHFFFAOYSA-N 325.386 1.526 0 40 EDAB O=C(NC1CCN(c2ccccn2)CC1)c1cc2c([nH]c1=O)CCC2 84610207 VTFWDMSANYIUSG-UHFFFAOYSA-N 338.411 1.657 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)c3ccc4nncn4c3)CCO2)n1 84630855 GSCNTBRUPIGFAS-GFCCVEGCSA-N 341.375 1.185 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)COCc3ccccc3)CCO2)n1 78889885 QBEAZZVVJNOPID-OAHLLOKOSA-N 344.415 1.874 0 40 EDAB O=C(NC[C@H]1CCCN(C(=O)CCc2ccccc2)C1)[C@@H]1CCCN1 95435773 ZQSUFECGNMRBFQ-MSOLQXFVSA-N 343.471 1.726 0 40 EDAB Cc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](CO)C2)c1 95461873 AIUHALJQXJKLEH-SNVBAGLBSA-N 334.235 1.760 0 40 EDAB CCCc1nc([C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)CCO2)n[nH]1 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1.576 0 40 EDAB O=C(NCC[C@@H]1CCOC12CN(c1ncccn1)C2)N1CCCC1 306144151 YXTCUMSQDHSTLZ-CQSZACIVSA-N 331.420 1.267 0 40 EDAB COc1ncccc1C(=O)N1CCOC[C@]2(CC[C@H](CN(C)C)O2)C1 306141013 VIZPACBTCWMLGO-KDOFPFPSSA-N 349.431 1.042 0 40 EDAB CCOCCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 409130602 ILGOVUBIUZXOFC-UHFFFAOYSA-N 348.852 1.649 0 40 EDAB Cc1cccc(CN2CCC(NC(=O)c3cn(C)c(O)n3)CC2)c1 1003560044 CAJMCJPVLOWHSH-UHFFFAOYSA-N 328.416 1.829 0 40 EDAB Cn1ccc(C(=O)Nc2cccc(OCCN3CCOCC3)c2)n1 72392179 KGWDZQNUYBJKBK-UHFFFAOYSA-N 330.388 1.383 0 40 EDAB COCCn1cc(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)nn1 557018679 HEEKQBQSUIPMDV-AWEZNQCLSA-N 341.415 1.944 0 40 EDAB CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(OCCOC)cc1 32072957 CTWNJXOUSLWOBW-AWEZNQCLSA-N 344.477 1.720 0 40 EDAB CCC(=O)N1CCC[C@@H](C(=O)OCCOc2cncc(Cl)n2)C1 78442856 MRKHOYFBSXRSPO-LLVKDONJSA-N 341.795 1.701 0 40 EDAB Nc1cccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)c1 31343314 HREXQHZXEKRKSY-GOSISDBHSA-N 327.428 1.831 0 40 EDAB NC(=O)C1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 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336.816 1.768 0 40 EDAB CSC[C@H](CCO)NS(=O)(=O)c1cccc2c1OC(C)(C)C2 225709018 XSKZRENENGHVHL-LBPRGKRZSA-N 345.486 1.792 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2nnc3ccc(C)cc3n2)C1 46088583 PNEHYADTUNZGQD-GFCCVEGCSA-N 328.372 1.749 0 40 EDAB COC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)c1ccccc1)C2 96039046 JZQVADSDBHEHDG-CVEARBPZSA-N 325.430 1.893 0 40 EDAB OCCN1CCC2(CC1)C[C@H](N[C@H]1CCOC1)c1ccccc1O2 96079873 HVGRBADOXRMHRW-RDJZCZTQSA-N 332.444 1.716 0 40 EDAB CCOCC(=O)N1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 96202189 RFFUXJDDOSLWJX-KRWDZBQOSA-N 338.473 1.836 0 40 EDAB Cn1cc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cn1 96183529 SCWOICNWBNIWND-FUHWJXTLSA-N 330.407 1.897 0 40 EDAB Cc1cccc(C(=O)N2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)n1 96108152 BPRKFNXTURVGCN-MAUKXSAKSA-N 341.411 1.956 0 40 EDAB Cc1cc(CN2CCC[C@]3(C[C@H](OCC(=O)N(C)C)CO3)C2)no1 96208557 GKYFWFXOWLSBQO-RDJZCZTQSA-N 337.420 1.211 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)no1 96108880 JMCIJUXYWDARRY-CRAIPNDOSA-N 343.383 1.683 0 40 EDAB CCS(=O)(=O)N1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 96042527 HLYTZVRPIYSEDE-KFWWJZLASA-N 326.418 1.180 0 40 EDAB O=C(c1ccncn1)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 96039910 GNNDWXSOYCFBRM-AEFFLSMTSA-N 331.416 1.915 0 40 EDAB C[C@@H]1N(CCN(C)C)C(=O)COC12CCN(Cc1ccccn1)CC2 96201531 JOVQPDFCMFOWMR-INIZCTEOSA-N 346.475 1.225 0 40 EDAB CN(C1(CO)CCC1)S(=O)(=O)c1ccc(Br)cc1 583652027 XECUPPWLGREOIF-UHFFFAOYSA-N 334.235 1.985 0 40 EDAB Cc1cc(C)cc(CN2C[C@@H]3OCCN(CC(=O)N(C)C)[C@@H]3C2)c1 96248692 BASKKUFOZIKCNJ-MSOLQXFVSA-N 331.460 1.277 0 40 EDAB C[C@@H]1CN(Cc2cccnc2)C[C@]12CCN(CCN1CCCC1)C2=O 96201714 IZLRNFRGKOLIFV-YLJYHZDGSA-N 342.487 1.848 0 40 EDAB CC(=O)N[C@@H](CC(=O)N[C@@H]1CCc2nc(C)cn2C1)c1ccccc1 97198522 SPIMXTDBXJWJQS-SJORKVTESA-N 340.427 1.890 0 40 EDAB Cc1nnc(C[C@@H]2C[C@H]3CN(C(=O)Cc4cccs4)C[C@H]3O2)o1 96217276 WBTHQMVHCQIMSU-SGMGOOAPSA-N 333.413 1.841 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccsc2)Cc2nccn2C1 96059125 AYIUDJGEZLGIRX-HNNXBMFYSA-N 348.472 1.681 0 40 EDAB CCC(=O)N1CCC2(CC1)O[C@H](C(=O)N1CCCC1)Cn1ccnc12 96243704 LOHJUIIBQHJDJA-AWEZNQCLSA-N 346.431 1.132 0 40 EDAB CNS(=O)(=O)C[C@H]1CCCN1c1ccc(Br)cn1 96455848 HXDMXTBNOOHECL-SNVBAGLBSA-N 334.239 1.362 0 40 EDAB Cc1nnc([C@H]2CO[C@@H]3CN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]32)o1 96216803 HGRFNJFAXVFJQF-TYNCELHUSA-N 343.339 1.361 0 40 EDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cnn(C)c1C(=O)O 536994410 VFWIUOGNERETDR-UHFFFAOYSA-N 341.393 1.313 0 40 EDAB Cc1nc(S(=O)(=O)Nc2cccc(N=S(C)(C)=O)c2)cn1C 585118744 AFBLGMNLRZHYHR-UHFFFAOYSA-N 342.446 1.888 0 40 EDAB Cn1ccnc1[C@H](CC(=O)N1CCCC[C@H]1C(=O)O)C(F)(F)F 585134938 PUPRSOXMBIZCKO-UWVGGRQHSA-N 333.310 1.922 0 40 EDAB Cc1csc2nc(CN3C[C@]4(C)CN(C)C[C@@]4(C)C3)cc(=O)n12 585133741 SVBIJOSOXRICBW-IRXDYDNUSA-N 332.473 1.838 0 40 EDAB CCn1nccc1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 257333269 YAXADOWHUQWIEQ-ZDUSSCGKSA-N 349.460 1.574 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN1Cc1ccccc1 257326183 WWECWSCXFDQQCI-QGZVFWFLSA-N 338.411 1.154 0 40 EDAB CCn1cc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)c(C)n1 257322239 WFDVTBIUQAIJBN-BRWVUGGUSA-N 329.400 1.912 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)CCc2cn(C)nc2C)n1 257214583 CMNYDWNFODJTDP-OAHLLOKOSA-N 345.403 1.065 0 40 EDAB COc1cccc2c1OC1(CCN(C(=O)CN)CC1)[C@H]1CCCO[C@H]21 257277471 NYCSPMVYMZVJTJ-WMLDXEAASA-N 346.427 1.875 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cccnc2)[C@H](c2ccccc2)C1 257248553 JEEITEUNUIYSFL-KRWDZBQOSA-N 345.424 1.676 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCCn1ccc(-c2cnccn2)n1 253471331 BVWYOICBCVGRRK-CQSZACIVSA-N 337.383 1.924 0 40 EDAB CCn1ncc(S(=O)(=O)N2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)c1C 257328869 XHKURSDAXGLTTH-YUELXQCFSA-N 327.450 1.526 0 40 EDAB CC(=O)N1CCN(C(=O)CCn2ccnc2)C[C@H]1c1ccccc1 257229845 FZRYKEVURFOKJE-KRWDZBQOSA-N 326.400 1.705 0 40 EDAB O=S(=O)(Cc1ccc(F)cc1)N1CCN(C[C@@H](O)C2CC2)CC1 85467108 ZXRKPKKBENSVNC-MRXNPFEDSA-N 342.436 1.044 0 40 EDAB Cc1cccnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 287494616 KXVRFCZHUZYMBB-KBPBESRZSA-N 338.429 1.334 0 40 EDAB CN(C)C[C@@H]1CSCCCN1S(=O)(=O)c1ccccc1F 90608951 AILSRNGKKIDBIF-GFCCVEGCSA-N 332.466 1.884 0 40 EDAB O=C(N[C@H](C(=O)O)[C@H](O)c1ccncc1)c1cccc2c1CCC2 1615003609 XDUVNAFWGWJJJE-JKSUJKDBSA-N 326.352 1.487 0 40 EDAB CC(C)n1cc(CNC(=O)N2CCC[C@@H](C3CC3)C2)c(O)nc1=O 1615546183 MJRZKMWINVFEAS-CYBMUJFWSA-N 334.420 1.861 0 40 EDAB O=C(c1ccns1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 1615589217 ADJLSUYMCDDVCW-CYBMUJFWSA-N 345.428 1.747 0 40 EDAB O[C@@H](CN1CCN(c2ncc(Br)cn2)CC1)C1CC1 1615579036 MSRZOLYQKFRJAH-LBPRGKRZSA-N 327.226 1.132 0 40 EDAB CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2Br)NC1=O 1615544945 CCNBCFDQHIBVAI-VXGBXAGGSA-N 325.206 1.631 0 40 EDAB CCn1cc(Br)c(C(=O)N[C@@H](C)c2noc(C)n2)n1 1615613176 SJDMEPLYGXFKNB-LURJTMIESA-N 328.170 1.848 0 40 EDAB C[C@H](CCc1ccccc1)NS(=O)(=O)C[C@@H]1C[C@H]2COC[C@@H]2O1 1616035018 ZFLAEDLGURRDMV-IWCQGFGOSA-N 339.457 1.731 0 40 EDAB CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@@H](CC)O1 1616031844 CUZSYUFUYWDXPP-RRFJBIMHSA-N 333.440 1.600 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1C 96098105 IQWWGOMBMWEVDU-CYBMUJFWSA-N 347.458 1.201 0 40 EDAB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)N1CC[C@@H](O)[C@H]1C 907007902 NJHJYLJJSBFGMO-ZWNOBZJWSA-N 327.402 1.652 0 40 EDAB O=C(c1cncc(O)c1)N1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1 585280091 YIYURRKEDDCWSM-DYVFJYSZSA-N 330.359 1.992 0 40 EDAB Cc1cnn(CC(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)c1 585279372 YJLWAQCHFRRSPC-SFHVURJKSA-N 329.400 1.024 0 40 EDAB O=C(NCCC(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccccc1 69291769 FACRCNZDNYFPDZ-QGZVFWFLSA-N 345.443 1.130 0 40 EDAB C[C@@H]1CN(C2CCC2)CCN1C(=O)[C@H]1C[C@@H]1c1ccc(C(N)=O)cc1 68245684 NJJBLDDRYMCIMQ-XWIAVFTESA-N 341.455 1.974 0 40 EDAB C[C@H](NC(N)=O)C(=O)N(C)C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 107522078 WDVOVSXDKKKTST-KKUMJFAQSA-N 346.475 1.658 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCCN1C[C@@H](O)CN1CCCC1=O 195530744 ZWGLEXJBTRHTOD-IEBWSBKVSA-N 345.487 1.566 0 40 EDAB Cc1nsc(N2CCN(C[C@@H](O)COCc3ccccc3)CC2)n1 89721380 RCPCCDKPQFCLFK-MRXNPFEDSA-N 348.472 1.546 0 40 EDAB COc1cc(OC)cc(C(=O)NCCc2csc3ncnn23)c1 5451331 FGDDRRLFSLNLLK-UHFFFAOYSA-N 332.385 1.781 0 40 EDAB Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)o1 12367421 ZRXXPEWMNBTHRS-NSHDSACASA-N 331.376 1.483 0 40 EDAB CC(C)c1cc(C(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)no1 12406464 FIOWASMSGUVBPW-NSHDSACASA-N 345.403 1.989 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(F)cc1 14406000 CBGUEZYIXHFZCE-HNNXBMFYSA-N 341.346 1.172 0 40 EDAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2N[C@@H]3CCCC[C@@H]3NC2=O)cc1 17071852 WSNLIHQOCSPKGG-PMPSAXMXSA-N 344.415 1.373 0 40 EDAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)CC(C)C)C[C@H]1CC2 19446604 FFJITJAPNHYLEY-ZBFHGGJFSA-N 332.448 1.554 0 40 EDAB CS(=O)(=O)c1ccc(NCC(=O)NCCc2ccccn2)cc1 585121168 HQPRYGHVQKVULY-UHFFFAOYSA-N 333.413 1.256 0 40 EDAB Cc1cc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n2nccc2n1 1888854282 VSTDFQCWMIBRKJ-CQSZACIVSA-N 329.404 1.113 0 40 EDAB CCN=c1ccnc(N2CCN(c3nc4ccccc4nc3C)CC2)[nH]1 1889186492 RXHACMQRBPWCLN-UHFFFAOYSA-N 349.442 1.909 0 40 EDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2ncc(Br)cc12 19481375 KPWIGQJHUKOUNV-VIFPVBQESA-N 330.207 1.862 0 40 EDAB in-vitro Cc1nnc(CN2CCN(c3ccc(Br)cn3)CC2)o1 30972092 LXAMQRJBJVZKKB-UHFFFAOYSA-N 338.209 1.858 0 40 EDAB Cc1ncc(C(=O)N2C[C@H]3CCN(c4ncccn4)CC[C@H]3C2)cn1 2056224362 ZVPWYWPCGVRKHL-GASCZTMLSA-N 338.415 1.564 0 40 EDAB CCOc1ccccc1CCC(=O)N1CC(CN2C(=O)CCC2=O)C1 1565520559 ZMVATTDKIPBRKP-UHFFFAOYSA-N 344.411 1.625 0 40 EDAB Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)Cc2ccc(F)cn2)C3)n1 1565542773 QDKWDOFLIZIHHB-RHSMWYFYSA-N 346.362 1.414 0 40 EDAB CNC(=O)CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 9621900 VLPYGMSDAYAUNS-UHFFFAOYSA-N 349.803 1.600 0 40 EDAB CCCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)COC)n1 12125053 ASNTVVQTCQOFLU-UHFFFAOYSA-N 331.376 1.370 0 40 EDAB O=C(CCN1CCSC1=O)Nc1ccc(N2CCOCC2)nc1 40487760 OIOFCEIDMZHTBI-UHFFFAOYSA-N 336.417 1.416 0 40 EDAB COc1ccc(CN(C)S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1F 40488024 PGSLYFLHYYFAFN-TXEJJXNPSA-N 346.424 1.620 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCCn1ccnc1-c1cnccn1 575610253 VABKDVFDAVSLOZ-UHFFFAOYSA-N 325.376 1.120 0 40 EDAB CCCCS(=O)(=O)NCc1nc(OC)nc(N2CCCCC2)n1 575608577 VICQQZJEYUSUFA-UHFFFAOYSA-N 343.453 1.090 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccc(OC)cc1 17306809 RQTQCKDTHQMYQZ-UHFFFAOYSA-N 339.373 1.074 0 40 EDAB Cc1ccc(NC(=O)COC(=O)c2ccoc2)cc1S(N)(=O)=O 30404447 GMJAGZJOFMZINR-UHFFFAOYSA-N 338.341 1.031 0 40 EDAB CCN(CC(=O)NC)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 40539440 GDVMTDNLZLXDKN-UHFFFAOYSA-N 342.321 1.650 0 40 EDAB NC(=O)CC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 40540757 DXWFFNLRHPLQJJ-CQSZACIVSA-N 326.824 1.667 0 40 EDAB Cc1cc(C)n(C2CN(CC(=O)/N=c3\cc[nH]n3[C@H](C)C3CC3)C2)n1 100980289 AHBWCOXVXCZXQS-SYLQMPFCSA-N 342.447 1.585 0 40 EDAB CCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 2648281 IIPFUGFHGAVRNY-UHFFFAOYSA-N 328.434 1.668 0 40 EDAB COc1ccccc1-c1nnc(C2CCN(S(C)(=O)=O)CC2)o1 6737449 RJZLUZOFHIFXNW-UHFFFAOYSA-N 337.401 1.884 0 40 EDAB Cc1ccc2c(CC(=O)NCC3(C(N)=O)CCOCC3)coc2c1C 52742626 ACINZZVFJLKZMW-UHFFFAOYSA-N 344.411 1.990 0 40 EDAB CCn1c(S)nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c1=O 102777500 GCLAWFJFRHQQQN-LLVKDONJSA-N 333.413 1.614 0 40 EDAB C[C@@H](CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)N(C)C 33093808 SVXHKMOUONNYFD-AWEZNQCLSA-N 344.415 1.002 0 40 EDAB O=C1[C@H]2[C@H](C(=O)N1c1ncn(Cc3cccc(F)c3)n1)[C@H]1CC[C@H]2O1 103155227 KRGONKNMLGXJML-AAVRWANBSA-N 342.330 1.132 0 40 EDAB c1ccc(-c2nnn(Cc3nc4c5ccccc5ncn4n3)n2)cc1 2806411 VFYICRRXERZZRI-UHFFFAOYSA-N 328.339 1.979 0 40 EDAB O=C1CCCN1c1cccc(OCC(=O)N2CCO[C@H]3CCC[C@@H]32)c1 53379954 ZRSFWKQBWHYSSJ-IRXDYDNUSA-N 344.411 1.972 0 40 EDAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cn2cccnc2n1 53455443 NWVFDDHHKVHHTO-NSHDSACASA-N 342.384 1.429 0 40 EDAB CCCCOC(=O)CSc1nnc(C2CC2)n1CCC(N)=O 22407283 BVUNUMMGXQOMCD-UHFFFAOYSA-N 326.422 1.466 0 40 EDAB CCc1nc2n(n1)[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 9135260 BLMSTASNZYEGFD-GFCCVEGCSA-N 327.344 1.565 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)NCc1ccccc1 102084264 RZTGVAXRTUTHCG-CNGUFQHNSA-N 336.391 1.356 0 40 EDAB O=C(CC[C@H]1CCCO1)N1CCN(Cc2cn3ccccc3n2)CC1 47430875 BZVLRBGHHAETQU-QGZVFWFLSA-N 342.443 1.938 0 40 EDAB O=C1C[C@@H](c2ccccc2)N(CC(=O)N2CCCCCC2)CCN1 54395390 BRYOUBYWUUGQNU-KRWDZBQOSA-N 329.444 1.952 0 40 EDAB CCc1nnc2n1C[C@@H](CNCc1nc(-c3cccnc3)no1)CC2 75605670 IKIBKIQOQLPGFZ-GFCCVEGCSA-N 339.403 1.638 0 40 EDAB CCNC(=O)[C@@H]1CCCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1 68900700 CGIBRXWFVNOZBD-LLVKDONJSA-N 346.435 1.227 0 40 EDAB Cc1ccccc1OCn1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)n1 27972136 UZYPERTXTNEWOM-ZDUSSCGKSA-N 349.412 1.145 0 40 EDAB C[C@@H]1CN([C@H](C)CNC(=O)c2cnn(C)c2-n2cccc2)C[C@@H](C)O1 106057188 KTMPLCUYTWSHDW-RBSFLKMASA-N 345.447 1.438 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N1CCC[C@H](n2ccnc2)C1 69925619 IXNNKVFOYKDBRU-AWEZNQCLSA-N 339.461 1.794 0 40 EDAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(-n2cnnn2)cc1 12529779 DULNCBAIKKQSMS-UHFFFAOYSA-N 347.382 1.901 0 40 EDAB Cn1cc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cn1 56137540 OBZXORDZQGLDRJ-CABCVRRESA-N 339.392 1.758 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2cccs2)C1 3235584 JBLGVWPQYAUOLV-LLVKDONJSA-N 325.386 1.707 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccncc2)C1=O 26001236 JUBNIUCVPFLJHT-KBXCAEBGSA-N 342.399 1.466 0 40 EDAB CC(=O)N1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 57126606 WQXVFWPGBMXSBS-UHFFFAOYSA-N 340.362 1.599 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3Oc4ccccc4[C@@H]3C)CCO2)n1 108086935 ZEMJYGFZAILQAG-PJODQICGSA-N 342.399 1.832 0 40 EDAB COC(=O)c1cc(CN[C@@H]2CCCN(c3cnn(C)c3)C2)oc1C 97034948 FETKGSZJYVXVKJ-CYBMUJFWSA-N 332.404 1.867 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 12684676 BLAAEFSLNBNDPA-LBPRGKRZSA-N 339.392 1.115 0 40 EDAB CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 100634774 ZRPJZVCYFPIXTC-CYJAXWMASA-N 327.380 1.840 0 40 EDAB COC(=O)c1ccccc1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 12682062 WTKCCAIRLNYXHK-RYUDHWBXSA-N 344.367 1.587 0 40 EDAB CN(C)CC(C)(C)CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 44597777 AVYDGHLWEPQIMY-AWEZNQCLSA-N 335.448 1.836 0 40 EDAB C[C@H](OC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C(N)=O 10068215 VSMZIUBBHACVTB-JTQLQIEISA-N 337.353 1.284 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCN(Cc2cc(C)no2)CC1)C1CCCC1 44890818 PLYNYVGESSFKNL-QGZVFWFLSA-N 348.447 1.322 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)N2CCCC[C@@H]2C)c1 58264607 LQSZODKCOLEKCI-ZDUSSCGKSA-N 339.461 1.820 0 40 EDAB COC[C@@H](C)N(C)C(=O)c1cccc(CN2C(=O)CSC2=O)c1 44970049 ZOSSKQIDXHNVKF-LLVKDONJSA-N 336.413 1.989 0 40 EDAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H]1CCS(=O)(=O)C1 44966271 YDSUPGDCBZKMEY-KOLCDFICSA-N 332.372 1.854 0 40 EDAB O=C(CCN1CCSC1=O)NCc1ccnc(-n2cccn2)c1 44913492 QFWRNGCWDKFPMF-UHFFFAOYSA-N 331.401 1.442 0 40 EDAB O=C(OCCN1CCOC1=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 44938228 IVIFDLVGYJFWLG-AWEZNQCLSA-N 348.355 1.413 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)NC[C@@H](c1ccsc1)N(C)C 44954841 NPHCHTPGTPQUQQ-HIFRSBDPSA-N 340.493 1.371 0 40 EDAB O=C(CN1CCCC1=O)NCc1ccc(N2CCCCCC2)nc1 44954332 GDXZBPMQTZWQOJ-UHFFFAOYSA-N 330.432 1.701 0 40 EDAB COc1ccc(C2=CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1 44950753 URDRLPBJELGOBN-UHFFFAOYSA-N 341.411 1.382 0 40 EDAB O=C(COc1ccc(F)cc1Cl)NCCN1C(=O)CSC1=O 3387321 SGPOMDMYHSXPQO-UHFFFAOYSA-N 346.767 1.670 0 40 EDAB CS(=O)(=O)NCCCN1CCC[C@H]1c1ccc2c(c1)OCCO2 58368352 JVBSDSHPXKXSQN-AWEZNQCLSA-N 340.445 1.534 0 40 EDAB O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)NC1CC1 58330249 HAYICZXTFAAAHY-UHFFFAOYSA-N 337.445 1.697 0 40 EDAB C[C@H](OCC1CC1)C(=O)NCCNC(=O)c1n[nH]c2ccccc12 58325315 BMYJLGVMZHFEBZ-NSHDSACASA-N 330.388 1.224 0 40 EDAB CC(C)c1cc(C(=O)NC2CCN(CC(N)=O)CC2)nn1C(C)(C)C 45056973 FHKQGPNDXBQGLY-UHFFFAOYSA-N 349.479 1.441 0 40 EDAB O=C(NO[C@H]1CCCCO1)[C@H]1CCCN(C(=O)N2CCCC2)C1 58419876 XZYZSMOBXBCELJ-KBPBESRZSA-N 325.409 1.489 0 40 EDAB COc1cc(CNCCNCCO)ccc1OCc1ccccc1 22075086 UTWAQJSEQUBMJY-UHFFFAOYSA-N 330.428 1.946 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1C[C@@H](O)c1cc(F)ccc1F 48374247 WQMQRRFZXSYVRF-RISCZKNCSA-N 328.340 1.426 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)COc2cccc(Cl)c2)C1 29191220 AXKBJKQZINREHS-LBPRGKRZSA-N 346.836 1.259 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)nc2)cc1 72275930 VLWCENXUXBLCHI-UHFFFAOYSA-N 343.368 1.167 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3noc(C)n3)CC2)cc1 69351559 KCWHEINSUOCKIZ-AWEZNQCLSA-N 344.415 1.798 0 40 EDAB Cc1noc(CCNC(=O)c2ccccc2NC(=O)NC(C)C)n1 64317938 SXLZMHNNWNCLGI-UHFFFAOYSA-N 331.376 1.880 0 40 EDAB CN(CCNC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1 49615474 ZCBBRSPCIAVNJM-UHFFFAOYSA-N 339.443 1.946 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@H](C(C)C)n3cncn3)CC2)nn1 69493399 CRDIZJHUMVSNKO-INIZCTEOSA-N 343.435 1.313 0 40 EDAB COc1cc2c(cc1CNCC1CCN(CCO)CC1)O[C@@H](C)C2 69420706 XFCNRUCZRDDXRW-AWEZNQCLSA-N 334.460 1.813 0 40 EDAB COc1cc(CNC(=O)[C@@H]2CCC(=O)N2)ccc1OC[C@@H]1CCCO1 65590811 UIXHUYALXNXMEI-KBPBESRZSA-N 348.399 1.148 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cccc(C(=O)NC2CC2)c1 14185173 UCDNIKYGTLZZGR-NSHDSACASA-N 336.413 1.342 0 40 EDAB Cc1ccc(CNC(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)cc1 14215432 KEXBWHLKTBTOKJ-UHFFFAOYSA-N 340.383 1.532 0 40 EDAB Cc1nc(-c2ccccc2C)n(Cc2cc(=O)n(C)c(=O)n2C)n1 66081945 OVYGGHAPPSDSJE-UHFFFAOYSA-N 325.372 1.008 0 40 EDAB Cc1cc(=O)oc2c(C)c(OCC(=O)NCCCN(C)C)ccc12 6658974 CPTIDUWHQRLTNB-UHFFFAOYSA-N 332.400 1.857 0 40 EDAB COCCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cn1 69698792 WOCGFHZWZWZQFD-UHFFFAOYSA-N 338.385 1.916 0 40 EDAB CN1C(=O)N(C)[C@@]2(c3ccccc3)NC(=N)NN[C@]12c1ccccc1 4811962 QJKCPCXPWISPEK-QZTJIDSGSA-N 336.399 1.322 0 40 EDAB C[C@@H](OC(=O)CNC(=O)c1cccs1)C(=O)NCc1ccco1 4828048 LVCCCBVJYAWDFH-SNVBAGLBSA-N 336.369 1.319 0 40 EDAB CSC[C@H](C)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 66765237 UBQONUHVYBDGAI-AWEZNQCLSA-N 349.500 1.941 0 40 EDAB C[C@H](NC(=O)C1(S(C)(=O)=O)CCCC1)c1ccc2c(c1)OCO2 69627222 MKFWDYGGBVTXHZ-NSHDSACASA-N 339.413 1.950 0 40 EDAB Cc1cnn(C[C@H](C)NCC(=O)N2CC(=O)Nc3ccccc32)c1 69659285 PERFCKLPIWTVAO-ZDUSSCGKSA-N 327.388 1.155 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1ccc(-n3cccn3)c(F)c1)C2 69665447 ZKZZUBUHKQOJPD-UHFFFAOYSA-N 326.335 1.567 0 40 EDAB CCc1nnc2n1C[C@@H](CNCc1nc(-c3ccoc3)no1)CC2 69700143 KNBLVOUKIHLKEN-LLVKDONJSA-N 328.376 1.836 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1sc(C)nc1C)C2 90168847 HUZBICLDZNCQKT-LLVKDONJSA-N 326.447 1.558 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)COc2ccccc2)CC1 69740539 UDSJZUWBCRBSFU-UHFFFAOYSA-N 328.416 1.533 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1 7238879 RUVCHKSGUJUYKH-UHFFFAOYSA-N 346.408 1.840 0 40 EDAB Cc1ccc(NC2CCN(C(=O)[C@H](C)OC[C@H]3CCCO3)CC2)nn1 69896936 QHKXXZUBBRXDRI-GOEBONIOSA-N 348.447 1.772 0 40 EDAB CN(C)CCn1nnnc1S[C@H]1CCN(c2ccccc2)C1=O 68050676 IYYJUAFWVXKNEZ-ZDUSSCGKSA-N 332.433 1.132 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)Nc1cnc(C(C)(C)C)nc1 69817077 VQIYVCQBJAFCCH-UHFFFAOYSA-N 343.453 1.225 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)Cn2ccc3ccccc32)CC1 69894547 OKJTUGGJSKZBSO-KRWDZBQOSA-N 345.443 1.183 0 40 EDAB O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1cccc2c1OCCO2 68102850 QYPXSQAHJJVRIT-ZDUSSCGKSA-N 348.424 1.499 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)c3nc4nccc(C)n4n3)C2)c1 71185983 LWGOHUZMRVOCLO-ZDUSSCGKSA-N 325.376 1.415 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)NC[C@H]2CCCN2c2cccnn2)no1 72276738 AUJVLYNIIYEZTC-CHWSQXEVSA-N 330.392 1.359 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H](C)S(=O)(=O)C(C)C 72234112 CVDBKOCNVZMEEZ-ZIAGYGMSSA-N 341.477 1.912 0 40 EDAB COCc1ccccc1CNC(=O)CN1CCC[C@@H]1c1noc(C)n1 84280874 FXSAXVZPLCFAEU-MRXNPFEDSA-N 344.415 1.978 0 40 EDAB COc1ccc(Cl)cc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1 9155675 WDXYILREULUUFR-SNVBAGLBSA-N 332.809 1.064 0 40 EDAB O=C(COc1cccnc1)N1CC(S(=O)(=O)Nc2ccccc2)C1 96005413 WFRUYRHAJRWCTR-UHFFFAOYSA-N 347.396 1.113 0 40 EDAB O=C(CSc1nccc2ccccc12)NCCN1CCOCC1 19681473 NHNGWNYDLKYPDG-UHFFFAOYSA-N 331.441 1.775 0 40 EDAB COc1ccc(CCNC(=O)N2CCN(c3ncccn3)CC2)cc1 9389765 NOANNYPYBLYJOZ-UHFFFAOYSA-N 341.415 1.560 0 40 EDAB OCCn1ncc2c(NCc3cnn(Cc4ccccc4)c3)ncnc21 97200086 YDADNGRIFBCWEB-UHFFFAOYSA-N 349.398 1.676 0 40 EDAB CN1CC(=O)N(CC(=O)N2CCC(=Cc3cccc(F)c3)CC2)C1=O 71829877 RVFFHBFXZRJHMW-UHFFFAOYSA-N 345.374 1.726 0 40 EDAB CC1CCN(C[C@H](O)CN[C@H]2CCCN(c3cccnn3)C2)CC1 71876880 VXGVIFHGWRVZIO-DLBZAZTESA-N 333.480 1.128 0 40 EDAB CNc1cc2c(nn1)CCN(C(=O)Cc1ccc(OC)c(F)c1)C2 71860122 ABUKNPRYKSKFLS-UHFFFAOYSA-N 330.363 1.793 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 71841713 AMRZYOLOSBQBCN-OAHLLOKOSA-N 331.391 1.874 0 40 EDAB Cc1nc(CNC(=O)NCc2cccnc2-n2cncn2)sc1C 76085524 WFACMLLCNFGLFI-UHFFFAOYSA-N 343.416 1.735 0 40 EDAB COc1cccc(CN2CCO[C@@H](CN(C)c3cccnn3)C2)c1 83859297 PLMUJEIADBRBTM-KRWDZBQOSA-N 328.416 1.822 0 40 EDAB CN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1 83877744 IJOKJPBZELMZID-IAGOWNOFSA-N 329.444 1.288 0 40 EDAB C[C@H](CNC(=O)Nc1cccc(F)c1F)CN1CCN(C)CC1 76069424 OGFCFAKVXYJNHT-GFCCVEGCSA-N 326.391 1.970 0 40 EDAB CNC(=O)[C@H]1CN(Cc2ccc3c(c2)OCCO3)c2ccccc2O1 95377453 DTKIWHLYZOMMHU-GOSISDBHSA-N 340.379 1.971 0 40 EDAB CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)CCOCc2ccccc2)O1 95460076 YZHVRIVZQVYCLI-CVEARBPZSA-N 334.416 1.345 0 40 EDAB CC(C)C[C@@](C)(NC(=O)c1cncc(Br)c1)C(N)=O 78619383 ACGPEHACJRRDHQ-CYBMUJFWSA-N 328.210 1.864 0 40 EDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc(C(N)=O)c[nH]1 88201390 HFGHLPOZXBBOBB-AWEZNQCLSA-N 326.400 1.984 0 40 EDAB Cc1noc(Cl)c1CC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 78789612 XEIXPDSWEFZEAU-QWHCGFSZSA-N 327.812 1.237 0 40 EDAB COC[C@@H](C)NC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 78758275 KMIGKOOXWYCSAN-MRVPVSSYSA-N 348.371 1.170 0 40 EDAB CNC(=O)c1cccc(CN2CC[C@@H](N(C)Cc3nnc(C)o3)C2)c1 78891387 ODIBPLSDUZLVQB-MRXNPFEDSA-N 343.431 1.444 0 40 EDAB O=C1[C@@H](N2CCS(=O)CC2)CCN1c1ccc(C(F)(F)F)cc1 79097331 GQLFMOXYQAUFHY-ZDUSSCGKSA-N 346.374 1.875 0 40 EDAB COc1ccc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)cn1 89466122 VVIRGQPOMYVEKS-OAHLLOKOSA-N 341.367 1.456 0 40 EDAB CN(CCN1CCN(c2ccccc2)CC1)CCN1CCCC1=O 75143596 NBLFMVRDSJPSHZ-UHFFFAOYSA-N 330.476 1.363 0 40 EDAB O=C(CN1CCCCC[C@@H]1C[C@H](O)c1ccco1)N1CCOCC1 89794366 APWIWXVTHLURFQ-CVEARBPZSA-N 336.432 1.807 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)NC[C@@H]2Cc3ccccc3O2)C1 89761882 RSCZBUQUPPAPKP-CABCVRRESA-N 341.415 1.708 0 40 EDAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(C(N)=O)o2)cc1 89942306 CVVZSBWQRSSZPZ-LLVKDONJSA-N 343.383 1.837 0 40 EDAB CCOC(=O)[C@]1(C)CCCN1CC(=O)NCc1ccc(OC)cc1 89978183 MXWWIDGSOAZJPB-SFHVURJKSA-N 334.416 1.729 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCc2nc(C3CC3)no2)CC1 89920405 PKNODSYEDDTTSP-AAEUAGOBSA-N 332.404 1.206 0 40 EDAB O=C([C@H]1CCCOC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 119373926 FTGUUXPDYRRBLJ-DZGCQCFKSA-N 329.462 1.761 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)C[C@@H](C)O1 42655822 VMEYFKUBROXYSC-UMVBOHGHSA-N 325.434 1.573 0 40 EDAB COc1ccccc1CNC(=O)CCn1nnc2ccccc2c1=O 32200472 AOWAYTTXQBMJLO-UHFFFAOYSA-N 338.367 1.507 0 40 EDAB CCCN1CCN(C(=O)/C(=C/c2ccccc2)n2nnnc2C)CC1 32962334 IWBLZVHMRBVDPL-VKAVYKQESA-N 340.431 1.534 0 40 EDAB O=C(C[C@H](c1ccsc1)n1cccc1)N[C@@H]1CCS(=O)(=O)C1 524733603 XZUZDHXXDRKOIK-ZIAGYGMSSA-N 338.454 1.832 0 40 EDAB Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CCCC(=O)N2)cc1F 1027954256 ISQPKBIBXQDFRN-DOTOQJQBSA-N 347.434 1.883 0 40 EDAB CN(C(=O)CCc1cccnc1)[C@@H]1CCN(CC(F)(F)F)C1=O 79002141 FOOVXXMRZUDHCG-GFCCVEGCSA-N 329.322 1.636 0 40 EDAB Cc1noc(CCCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)n1 79000013 IFRBXTRIXZHSFG-HUUCEWRRSA-N 348.447 1.856 0 40 EDAB O=C(O)[C@@]1(C(=O)NCc2cc3n(n2)CCC3)C[C@H]1c1ccccc1 1553331642 XCCNFGPIZLRSGA-YJBOKZPZSA-N 325.368 1.704 0 40 EDAB Cc1nnsc1C(=O)N1CCc2nc(NC(=O)C3CC3)sc2C1 70638423 AQHIUAONGBZSQD-UHFFFAOYSA-N 349.441 1.850 0 40 EDAB Cc1ccc2c(c1)N(CC(=O)N(C)CCc1ccncc1)CC(=O)O2 31846304 KVXREDZWLMIASW-UHFFFAOYSA-N 339.395 1.817 0 40 EDAB CN1CCC(NC(=O)[C@]2(C)Oc3ccc(Cl)cc3NC2=O)CC1 41549575 XTLOUNAATMCOLV-INIZCTEOSA-N 337.807 1.640 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccco2)cc1 44225309 ISKMMLKICDFZTQ-NSHDSACASA-N 330.340 1.752 0 40 EDAB Cc1csc(=O)n1CCC(=O)NC1CCN(c2ncccn2)CC1 44938983 KWSALQFFGZDYSH-UHFFFAOYSA-N 347.444 1.184 0 40 EDAB CCCc1nc(C)c(C(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)o1 563262670 QBRUJABGWXNXKJ-CYBMUJFWSA-N 346.431 1.720 0 40 EDAB Cc1cc(Br)cc(S(=O)(=O)NCc2ccnn2C)c1 186931760 BLRPDWWFKGEFHA-UHFFFAOYSA-N 344.234 1.970 0 40 EDAB CS(=O)(=O)N1CCN(c2cnnc3ccc(Cl)cc23)CC1 46087315 UDENWYKXJWSOLG-UHFFFAOYSA-N 326.809 1.365 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCCc2c1cnn2C 87059045 ZVIQHPDUUOBDBP-CHWSQXEVSA-N 343.435 1.786 0 40 EDAB CCc1cc(-c2nnc(CCC(=O)Nc3nccc(C)n3)o2)nn1C 41070296 RIFYRURKHLUYCZ-UHFFFAOYSA-N 341.375 1.702 0 40 EDAB CCN(CC)C[C@@H]1OC[C@@H](NC(=O)Nc2ccc(F)cc2F)[C@H]1O 514289394 SBDMIHQEKITHAC-QLFBSQMISA-N 343.374 1.556 0 40 EDAB biogenic,in-vitro O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1ccccn1 225772388 WOVHTMFIQKEIEF-UHFFFAOYSA-N 345.786 1.886 0 40 EDAB CN(CC(=O)NCCc1c[nH]c2ccc(Cl)cc12)S(C)(=O)=O 80662134 JOKPFVCACGXCMW-UHFFFAOYSA-N 343.836 1.371 0 40 EDAB CN1C[C@H](C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)CC1=O 84369301 LOCAVZJRLGLQEK-HZPDHXFCSA-N 342.395 1.820 0 40 EDAB O=C(NCC1(N2CCOCC2)CCCC1)[C@H]1COc2ccccc21 96449780 MVUNRFIYIXSWSF-INIZCTEOSA-N 330.428 1.924 0 40 EDAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCCCc2cnn(C)c2)C1 96420516 FSWVZFYIYGQYIM-MRXNPFEDSA-N 349.479 1.547 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1[C@H]2CCc3ccccc3[C@H]21 95428259 KRQLVRFWDXTSDZ-WBQNTZJQSA-N 348.468 1.696 0 40 EDAB Cc1noc(C)c1CN1CC[C@]2(COCc3cnc(N(C)C)nc32)C1 96243978 JRBYQEZAMLGGMA-GOSISDBHSA-N 343.431 1.821 0 40 EDAB CC(C)NC(=O)N1Cc2nc(C(=O)NCc3cccnc3)oc2C1 96266066 AUDUTUMXXJMYKV-UHFFFAOYSA-N 329.360 1.433 0 40 EDAB Cc1cncnc1N1CCN(S(=O)(=O)c2ccccc2F)CC1 96024469 CWLRKAQDAIGPHV-UHFFFAOYSA-N 336.392 1.435 0 40 EDAB CCOc1ccc2c(c1)CN(C(=O)[C@@]1(O)CCCN(C(C)=O)C1)CC2 583620135 BZJMTNBKIFWZMB-LJQANCHMSA-N 346.427 1.343 0 40 EDAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cscn3)C2)o1 96108492 UCAGLLDMFCYQIN-DYVFJYSZSA-N 347.440 1.923 0 40 EDAB CNC(=O)[C@@H](Cc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 96113026 KATBRIPEBWKPLG-DLBZAZTESA-N 329.444 1.431 0 40 EDAB biogenic,in-vitro CCc1cnc(N2CCC3(CC2)C[C@H](NC(=O)N(C)C)CO3)nc1 96220703 SQUFURUJMQSZIP-AWEZNQCLSA-N 333.436 1.438 0 40 EDAB CCCS(=O)(=O)N1CCC2(CC1)NC(=O)C[C@H]2c1ccncc1 96069786 VDUYJNMAYHLGJX-AWEZNQCLSA-N 337.445 1.260 0 40 EDAB CCO[C@@H]1C[C@H](O)C12CCN(c1nnnn1-c1ccc(C)cc1)CC2 96421013 KJVGTDWZPVRDRM-JKSUJKDBSA-N 343.431 1.727 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(CC3CCOCC3)C[C@H]2O1)N1CCCCO1 96218749 BEQRNCNZBRFYEH-YESZJQIVSA-N 338.448 1.446 0 40 EDAB CNC(=O)c1cc2c(nc1N(C)C)CCN(C(=O)NC(C)C)CC2 96260328 NWYBHBISVMEMNI-UHFFFAOYSA-N 333.436 1.026 0 40 EDAB Cc1ccc(NC(=O)Cc2ccc(OCc3nnnn3C)cc2)nc1 96101407 DEEFFJNCRNRLOB-UHFFFAOYSA-N 338.371 1.674 0 40 EDAB O=C(CC(F)(F)F)N1CCC2(CC1)CN(c1cccnc1)C2=O 96202968 UBAGIBOGJQASSC-UHFFFAOYSA-N 327.306 1.989 0 40 EDAB C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C 249508276 HXPFSAXLEJOMRS-XJFOESAGSA-N 325.453 1.652 0 40 EDAB Cc1ccc(CN(CC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1 243712797 PNEIXVSGZLHMHV-OAHLLOKOSA-N 340.445 1.052 0 40 EDAB CCCn1nccc1-c1cc([C@H]2CCN(S(C)(=O)=O)C2)nc(C)n1 257318688 VOZVOVQDZRUWKM-ZDUSSCGKSA-N 349.460 1.807 0 40 EDAB CCN1CCN(CC(=O)N2CCC[C@@H](c3ccnc(C)n3)C2)CC1 257244909 INIBOLFXCDMIDP-MRXNPFEDSA-N 331.464 1.129 0 40 EDAB CCc1noc(CCC(=O)N[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)n1 257257075 KNZZPCZUEHCIKL-PBFPGSCMSA-N 346.387 1.047 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)CCCc2ccncc2)CCO1 257233593 GPVNBQRRMDTYHT-CQSZACIVSA-N 327.388 1.377 0 40 EDAB Cc1cc(CCC(=O)O)nc([C@H]2CCCN2C(=O)c2ccnn2C)n1 257280001 OJBRRCNAVCOXBQ-CYBMUJFWSA-N 343.387 1.513 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)cc1 585114691 RZXRJZQCGAFSPK-HOTGVXAUSA-N 338.473 1.773 0 40 EDAB CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(CC3CC3)C2)C1 252581966 UXPIQHMNZVXIBY-RUGILSMQSA-N 341.521 1.850 0 40 EDAB NCCc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1 257227260 FOJILUQYSIBDHA-QZTJIDSGSA-N 344.386 1.591 0 40 EDAB CNS(=O)(=O)c1ccc(N[C@H]2CCN(C)[C@H]2c2ccccc2)nc1 252549624 RKXDOFGSLXKMLJ-RDJZCZTQSA-N 346.456 1.847 0 40 EDAB Cc1ccc(CC(=O)NC[C@]2(O)CCCN(c3ncccn3)C2)s1 257271025 MWNIMNQZVNEDIL-QGZVFWFLSA-N 346.456 1.537 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(N)COC 252514841 FBPFMGPDSCKGRH-YNEHKIRRSA-N 348.262 1.694 0 40 EDAB CN1CCN(C(=O)CCCc2c[nH]c3ccccc23)[C@@H](C(N)=O)C1 257204712 AVYXKXQVWMFYPE-MRXNPFEDSA-N 328.416 1.119 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccncn3)CCO2)n1 257260664 LDUYNUMOMAGZOW-MRXNPFEDSA-N 327.388 1.460 0 40 EDAB Cn1nccc1-c1ncccc1C[C@@H]1CCCN(S(C)(=O)=O)C1 257290410 QCVNIRPFYGNQBU-ZDUSSCGKSA-N 334.445 1.696 0 40 EDAB Cc1ncc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3C)CC2)cn1 257234400 GTJCJCTYJMCWAG-RDJZCZTQSA-N 342.399 1.533 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cscn3)CCN2C)c1 257334577 YGNFCHUUKZBSNR-HNNXBMFYSA-N 344.440 1.632 0 40 EDAB COC(=O)c1sccc1NC(=O)c1cc(N2CCOCC2)ncn1 252500167 SOEYCIIDOFSAAC-UHFFFAOYSA-N 348.384 1.414 0 40 EDAB CC(C)Oc1ccc(NC(=O)[C@@]23C[C@H]2CCN(C)S3(=O)=O)cc1 260842893 YMHFDCBYTONEMO-MLGOLLRUSA-N 338.429 1.836 0 40 EDAB O=C(c1occc1CN1C(=O)Cc2ccccc21)N1CCC(O)CC1 590699989 OFUVSBFEXPTPFE-UHFFFAOYSA-N 340.379 1.966 0 40 EDAB O=C(COc1ccccc1F)NCCn1ccnc1-c1ncccn1 96103895 BFOQSSUUEMMXRC-UHFFFAOYSA-N 341.346 1.674 0 40 EDAB O=C(Cc1ccccc1F)N[C@H]1CCN(c2nccn3cnnc23)C1 575618105 ZKDSPHDCXBLSCR-ZDUSSCGKSA-N 340.362 1.201 0 40 EDAB Cc1ncc(C(=O)N2CC[C@](O)(COc3ccccc3C)C2)c(O)n1 585276098 JTJDTZQXVHRZTP-GOSISDBHSA-N 343.383 1.455 0 40 EDAB O=c1n(CCN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)nc2ccccn12 44949170 ADCMROMPXFGKKZ-HOTGVXAUSA-N 346.431 1.156 0 40 EDAB CNC(=O)NC(=O)CN(Cc1ccc2c(c1)OCCO2)C1CCCC1 57630848 CQKYYWPPHBBQLE-UHFFFAOYSA-N 347.415 1.658 0 40 EDAB O=C(NCCNC(=O)[C@H]1CCCO1)c1cccc(Br)c1 69372968 RFWUOXQFFBENQZ-GFCCVEGCSA-N 341.205 1.474 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNC[C@H](O)c1ccccc1 69414958 HLMOIPRATSQJTF-KRWDZBQOSA-N 330.432 1.388 0 40 EDAB Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCOCC3)c2)cc1 69702973 XCWGEVVJPGUBTQ-UHFFFAOYSA-N 334.397 1.506 0 40 EDAB Cc1cc(S(=O)(=O)N2CC(OC[C@H]3CCOC3)C2)ccc1F 1565522796 QSONNOLARFKHNI-LBPRGKRZSA-N 329.393 1.560 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCCN([C@@H]2CCSC2)CC1 1565522250 LTNLDTVDNBLSFY-CYBMUJFWSA-N 345.490 1.493 0 40 EDAB Cn1ccnc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1=O 97113827 TXFVNBSDKAZOLK-HNNXBMFYSA-N 341.415 1.739 0 40 EDAB Cc1cc(CN2CCN(c3nc(C)nc4c3cnn4C)CC2)on1 96308942 YDGXSTPMKHZGNP-UHFFFAOYSA-N 327.392 1.290 0 40 EDAB Cc1cc(S(=O)(=O)Nc2n[nH]cc2C(=O)N(C)C)sc1Cl 585118821 CYUZITBRGFNVDH-UHFFFAOYSA-N 348.837 1.936 0 40 EDAB Cc1nccc(N[C@@H]2COCC[C@@H]2NS(=O)(=O)CCC2CC2)n1 1615551034 QVPXUNPNKPIZQF-UONOGXRCSA-N 340.449 1.074 0 40 EDAB COc1ccccc1NC(=O)CCc1c(C)[nH]c2ncnn2c1=O 12409923 BWBDIKWTAHHNTE-UHFFFAOYSA-N 327.344 1.306 0 40 EDAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)c1 13673624 GGDREPWGEBJEPS-CQSZACIVSA-N 341.477 1.136 0 40 EDAB Cc1cc2nc([C@H](C)NC(=O)c3cc(C4CC4)nn3C)cc(O)n2n1 19129766 FMYNDRHHJXZIRV-JTQLQIEISA-N 340.387 1.845 0 40 EDAB COc1ccccc1[C@H]1CC(=O)c2cnc3nc(N)[nH]c(=O)c3c2C1 19973955 XNGMDXKMUYGGJU-SECBINFHSA-N 336.351 1.822 0 40 EDAB NC(=O)NC(=O)C1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 158246256 ISCSQHQUXWPZGU-MOQPVCNJSA-N 347.390 1.799 0 40 EDAB CCOC(=O)c1sc2ncn(C(C(C)=O)C(C)=O)c(=O)c2c1C 98276 ZSYDDAATIOEVKA-UHFFFAOYSA-N 336.369 1.662 0 40 EDAB Cc1csc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)n1 9342627 YXLWQUHHSFZGRH-UHFFFAOYSA-N 343.405 1.898 0 40 EDAB O=C(c1ccc2nc(C3CC3)cn2n1)N1CCN(c2ncccn2)CC1 1888903936 IDXGGRHJYNRXDU-UHFFFAOYSA-N 349.398 1.359 0 40 EDAB O=C1O[C@H](C(=O)NCCN2CCCCCC2=O)Cc2ccccc21 32309315 SRACDTSPKOGXQA-HNNXBMFYSA-N 330.384 1.287 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CC(Oc2cccnc2)C1 238893171 QUWQUDBFHNMRTL-UHFFFAOYSA-N 336.351 1.081 0 40 EDAB COc1ccc2nnc(CNC(=O)Cc3noc4ccccc34)n2n1 238853417 JROXYHVUMWJXBX-UHFFFAOYSA-N 338.327 1.133 0 40 EDAB CN(Cc1cn(C)nn1)S(=O)(=O)c1ccccc1Br 534133160 PUXJQWPKRZGHDY-UHFFFAOYSA-N 345.222 1.398 0 40 EDAB O=C(CCc1cncnc1)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccco1 968356410 XITPSZULWGXTCE-GASCZTMLSA-N 340.383 1.518 0 40 EDAB CC(C)N1CCO[C@H]2CN(C(=O)Cn3cc(Cl)cn3)CC[C@H]2C1 1565547936 UDWXRVXJSYXBKF-ZFWWWQNUSA-N 340.855 1.494 0 40 EDAB Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(N)=O 426829 JMRQMWWSQUNKAJ-UHFFFAOYSA-N 343.408 1.375 0 40 EDAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OC)c1 4113697 QHCYUMZXQYJFDF-HNNXBMFYSA-N 334.372 1.903 0 40 EDAB O=C(c1cc[nH]c1)N1CC[C@H]2OCC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 2055718413 XZPMFWKYAYHWRS-OWCLPIDISA-N 331.416 1.504 0 40 EDAB CCc1n[nH]c(S(=O)(=O)NCCc2ccccc2)c1C(=O)OC 33256041 VWYJZOMTWRWCSZ-UHFFFAOYSA-N 337.401 1.280 0 40 EDAB O=C(/C=C/c1cccs1)N[C@H]1CCN(c2ccc3nncn3n2)C1 575414499 SXHNFHOYZNSULT-UXONFWTHSA-N 340.412 1.594 0 40 EDAB CN1c2ccc(F)cc2N(CC(=O)NCc2ccco2)S1(=O)=O 575608365 KBLRPZXQCRPLFH-UHFFFAOYSA-N 339.348 1.236 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@H](Oc2cnsn2)C1 618256405 HEIHEGHNSUZNNN-KMOQFTEPSA-N 345.380 1.960 0 40 EDAB Cc1nn(C)cc1C1=NO[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 103505583 GRNLWNQNLYGSGD-OCCSQVGLSA-N 344.758 1.674 0 40 EDAB CNc1snc(C)c1C(=O)NCc1cccnc1N1CCOCC1 31329202 DEVRUACZVBMAER-UHFFFAOYSA-N 347.444 1.655 0 40 EDAB C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 40477826 OEZHZZUJZYUIIQ-LLVKDONJSA-N 345.852 1.688 0 40 EDAB COc1ccc(-n2nnnc2-c2cnc(N)nc2C(F)(F)F)cc1 153784 WNWTUKOGFGHBTM-UHFFFAOYSA-N 337.265 1.729 0 40 EDAB O=C1COc2ccccc2N1CCC(=O)N1CCO[C@H]2CCCC[C@@H]21 40553900 YBXRFQOXMNZHQV-HOCLYGCPSA-N 344.411 1.972 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@H]1COc2ccccc2O1 224203 YHFKTRMABZBRBT-LBPRGKRZSA-N 340.335 1.551 0 40 EDAB CC1(C)[C@@H]2CN(C(=O)NCCS(=O)(=O)c3ccccc3F)C[C@H]21 101388260 XUFUSHQFRLEDAS-VXGBXAGGSA-N 340.420 1.897 0 40 EDAB COc1cc(CNCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1F 101782332 SKHYNHTZYRANCU-MGBSGCIJSA-N 344.386 1.731 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccc(F)cc1 308956 YCWFTXDBKBCHST-UHFFFAOYSA-N 337.376 1.303 0 40 EDAB Cc1ccc(CN(C)C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)o1 29433165 NUXFTDCZNXFHDR-MRXNPFEDSA-N 340.383 1.667 0 40 EDAB Cc1cc(C)cc(NC(=O)CN2CCN(CCN3CCCC3)CC2)c1 69979979 CMRKFUDZYYNSPG-UHFFFAOYSA-N 344.503 1.955 0 40 EDAB COc1c(C)cnc(CNC(=O)N2CCC(N(C)C(C)=O)CC2)c1C 69900934 XHKHQJJYCFTEFE-UHFFFAOYSA-N 348.447 1.859 0 40 EDAB Cn1nnc(NC(=S)NC(=O)c2ccc(Br)cc2)n1 558170 WXOXAPRKJFWXSE-UHFFFAOYSA-N 341.194 1.099 0 40 EDAB O=C(CSc1n[nH]c(=O)n1C1CC1)NCc1ccc2c(c1)OCO2 2661712 KAKZYLZOOUIPQA-UHFFFAOYSA-N 348.384 1.044 0 40 EDAB CCOC(=O)c1cnn2c(N)c(C(=O)Nc3cccc(C)c3)nnc12 1408856 HWUWVOFRORHIET-UHFFFAOYSA-N 340.343 1.444 0 40 EDAB O=C(c1ccc(F)cc1)c1ccc(OCC(=O)N2CCNC2=O)cc1 21464243 FQLSPZGPLAMGAF-UHFFFAOYSA-N 342.326 1.987 0 40 EDAB O=c1c2sccc2ncn1CCS(=O)(=O)Oc1ccccc1 32850508 FMJQJAQRMOEDMC-UHFFFAOYSA-N 336.394 1.867 0 40 EDAB CCOc1ccc(NC(=O)CSc2nnc(C3CC3)n2N)cc1 3484465 JAYWUCRQAPNLLT-UHFFFAOYSA-N 333.417 1.999 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1 3886854 IZXNCTIKDNVKDB-LLVKDONJSA-N 328.346 1.103 0 40 EDAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](COC[C@@H]5CO5)(O4)[C@@H]3C2=O)cc1 3982490 XFUHVCZVGQJFMO-GMKVZWAMSA-N 341.363 1.223 0 40 EDAB C[S@](=O)c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 21643402 NQMREVQMSIBROF-HSZRJFAPSA-N 348.405 1.850 0 40 EDAB COc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1OC 4905137 NWQLKYXVVVMRQI-OWLDWWDNSA-N 342.351 1.156 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(C)c1 6439415 YNRRGONLTNIPQS-UHFFFAOYSA-N 345.417 1.252 0 40 EDAB CCC(=O)NC(=S)Nc1ccc(I)cn1 6569683 DEFZTBKOKFPVNL-UHFFFAOYSA-N 335.170 1.909 0 40 EDAB Cc1nc(S(=O)(=O)Nc2ccc3c(C(=O)O)c[nH]c3c2)cn1C 75610235 BHQZKELBTSBNMF-UHFFFAOYSA-N 334.357 1.709 0 40 EDAB NC(=O)CCN1CCN(Cc2ccc(Br)s2)CC1 53420488 WQZGZGMKJPMXIL-UHFFFAOYSA-N 332.267 1.504 0 40 EDAB O=C(c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)N1CCOCC1 103527273 BPVCJGBAXLLFDW-IYBDPMFKSA-N 340.379 1.615 0 40 EDAB COCCCCNC(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 46735019 NAFZUVVYSFARPQ-ZDUSSCGKSA-N 338.404 1.689 0 40 EDAB COCCn1nc(C(=O)N(C)Cc2ccc(C)cc2C)ccc1=O 23040667 KQNPTUSQEMMTIR-UHFFFAOYSA-N 329.400 1.779 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@H]2c2noc(C3CC3)n2)n(C)n1 76047465 UOJLIGPSERSHBM-LBPRGKRZSA-N 330.392 1.765 0 40 EDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NC[C@@H]1CCCO1 23993568 MVIWBBGKQYWKSY-LBPRGKRZSA-N 328.390 1.111 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 24603546 XYSMHKFGEGZPJD-MRXNPFEDSA-N 349.456 1.641 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)CCc2ccc(Cl)cc2)CC1 24780041 CRLGRPRPCPZKTF-UHFFFAOYSA-N 344.864 1.767 0 40 EDAB C[C@@H]1c2ccccc2CCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 106684748 QEDXIQCCKZQAKL-CYBMUJFWSA-N 349.390 1.836 0 40 EDAB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@H](C)c1nc(C2CC2)no1 107354979 XNANDSBUOPGJQA-WZRBSPASSA-N 342.465 1.658 0 40 EDAB CCCN1CCN(C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 56501520 WEJKFGFPQHHYBC-UHFFFAOYSA-N 331.420 1.776 0 40 EDAB CN1CC[C@@H](NC(=O)Cn2cnnn2)[C@H]1c1ccc(Cl)c(F)c1 107536299 AAHHGFMTXGXIHN-TZMCWYRMSA-N 338.774 1.027 0 40 EDAB CC(C)(NC(=O)CCCOc1cccc(Br)c1)C(N)=O 57050196 RWHGZMVWSIRMQO-UHFFFAOYSA-N 343.221 1.988 0 40 EDAB C[C@@H]1CN(C(=O)NCC[C@@H](C)[S@@](C)=O)CCN1CC(F)(F)F 108145485 VYGNRWKCCRVOCF-RUYXUOGBSA-N 343.415 1.422 0 40 EDAB CN1CC[C@@H](C(=O)NCc2ccc(CN3CCCC3)cc2)CC1=O 44334899 CQULWUCYJHJIEG-QGZVFWFLSA-N 329.444 1.767 0 40 EDAB Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCC(=O)NC(N)=O 58223066 WMQQMYXPHJYTRR-LBPRGKRZSA-N 332.404 1.616 0 40 EDAB COc1ncccc1CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 44968844 RNYRMQFNYNPALN-AWEZNQCLSA-N 342.403 1.348 0 40 EDAB COc1ccc(Cl)cc1CN1CCCN(S(C)(=O)=O)CC1 58379291 TVULOAYICRCRTA-UHFFFAOYSA-N 332.853 1.816 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@H](N)C2)ccc1Br 36297327 QLPYRNUJUFWNIH-JTQLQIEISA-N 333.251 1.869 0 40 EDAB O=C(O)C[C@@H](NCc1ccco1)C(=O)OCC(F)(F)C(F)F 2222136 ICTQVPCUINFNAD-MRVPVSSYSA-N 327.230 1.656 0 40 EDAB CNC(=O)N1CCN([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 48235228 HEESYOUFIXEMFU-ZDUSSCGKSA-N 329.404 1.678 0 40 EDAB O=C(CCCn1c(=O)oc2ccccc21)NCc1nnc2n1CCC2 48285576 QRKNPUPPOAOBQE-UHFFFAOYSA-N 341.371 1.229 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=S)NCCCN(C)C)CC2)cc1 3334908 LVYXOTFOSSEBLW-UHFFFAOYSA-N 348.516 1.837 0 40 EDAB CC1CCN(C(=O)COC(=O)Cn2nnc(-c3ccccc3)n2)CC1 3306878 WXNWGCLKLWYOOG-UHFFFAOYSA-N 343.387 1.142 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 29190402 GPUJMHXRMWCLRO-CYBMUJFWSA-N 344.864 1.813 0 40 EDAB C[C@H](CN1CCOCC1)Nc1ccc2nnc(C(F)(F)F)n2n1 48344308 NFVSEBULROSSGD-SECBINFHSA-N 330.314 1.276 0 40 EDAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@H](C)C1CC1 48345414 CYONQTIGYRHGNI-CQSZACIVSA-N 344.459 1.600 0 40 EDAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(=O)[nH]c1 18214047 JXUKRHASZIMZSS-UHFFFAOYSA-N 327.384 1.137 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1 70901630 NRKBDLFKBBODGS-DVOMOZLQSA-N 335.448 1.934 0 40 EDAB O=C(NCCc1ccccc1)C(=O)NC[C@@H]1OCCc2ccccc21 4131591 CURUEDVWRYUPJG-SFHVURJKSA-N 338.407 1.776 0 40 EDAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccccc2)NC(=O)N[C@H]1C 6053696 XIINNTUQVMEHEN-VMPCVLLUSA-N 344.367 1.762 0 40 EDAB CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)nn1 72299471 ANGIWELUNATMJZ-GFCCVEGCSA-N 328.376 1.780 0 40 EDAB O=C(COC(=O)C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1 4392834 DAXSYAUDENCBRM-JTQLQIEISA-N 329.349 1.132 0 40 EDAB Cn1cnn(-c2ccc(NC(=O)NCCc3cccs3)cc2)c1=O 92837485 RDWIKXZFPNMYSH-UHFFFAOYSA-N 343.412 1.997 0 40 EDAB CC[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)n1nnc2ccccc2c1=O 5206869 YWZWABGYALLLLH-OAHLLOKOSA-N 348.366 1.680 0 40 EDAB CCN1CCN([C@H](C)CNC(=O)NCc2csc(C)n2)CC1 65440567 MBDXBGJQIKBEHJ-GFCCVEGCSA-N 325.482 1.277 0 40 EDAB CC[C@@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 65419001 GNBFKYSQTBKTCB-IUODEOHRSA-N 340.445 1.880 0 40 EDAB C[C@@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 14171713 YZVDENAXOCGMLR-LBPRGKRZSA-N 325.372 1.050 0 40 EDAB CCOc1ccccc1-c1nnc(SCC(=O)N2CCNC2=O)o1 14116191 GATSBQZGLRSETF-UHFFFAOYSA-N 348.384 1.779 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cnc2onc(C)c2c1 65622905 BRKFEXFGKHYZRW-RNCFNFMXSA-N 348.428 1.961 0 40 EDAB COC(=O)[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccccc1OC 4599630 PCDSHAPUCMZHDS-SLEUVZQESA-N 349.383 1.917 0 40 EDAB Cn1c(CO)cnc1S(=O)(=O)Cc1ncc(Cl)cc1Cl 97148208 XUGPRWHEFADAML-UHFFFAOYSA-N 336.200 1.588 0 40 EDAB CN(C)C[C@H]1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1 96009925 APWXFEDEBQTQOT-GFCCVEGCSA-N 348.415 1.903 0 40 EDAB CCc1c(O)nc(SCC(N)=O)n(-c2ccccc2OC)c1=O 68274907 GFMPCTBJIQBTSA-UHFFFAOYSA-N 335.385 1.087 0 40 EDAB CC(C)c1ccc(NC(=O)CN2C(=O)NC3(CCOCC3)C2=O)cc1 68639409 MXQKYZWFJGSLDL-UHFFFAOYSA-N 345.399 1.850 0 40 EDAB C[C@H]1C[C@H]1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 16582800 QNZZNVNNIRQMCC-DZGCQCFKSA-N 345.399 1.562 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)CN1CCO[C@@H](Cn2cccn2)C1 69391841 PKCSAYZTHOSQBJ-QGZVFWFLSA-N 346.406 1.382 0 40 EDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1nc(N)nc(N)n1 8314209 WIIWOWLRSZHJFH-UHFFFAOYSA-N 337.767 1.590 0 40 EDAB CCc1noc([C@@H](C)N2CCN(Cc3nnc(C4CC4)n3C)CC2)n1 69436427 DVIYBZRDZWIFJQ-GFCCVEGCSA-N 345.451 1.517 0 40 EDAB C[C@H](CCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 69459002 PXWTVNRDLZHBOD-GDBMZVCRSA-N 338.473 1.968 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)N(C)c2nccs2)n1 69452950 VXYXRYUSIMDXKX-ZDUSSCGKSA-N 334.449 1.479 0 40 EDAB O=C(CN1CCc2c(ncn2C2CC2)C1)NC1CCN(C2CC2)CC1 69464832 OUJDBDCDMHJHOP-UHFFFAOYSA-N 343.475 1.319 0 40 EDAB COCCCN1CCCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 71792373 UMXMACYGDQAXQC-UHFFFAOYSA-N 343.431 1.452 0 40 EDAB NC(=O)CCNC(=O)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1 71796416 QKXROSYFUXMQIE-UHFFFAOYSA-N 347.321 1.822 0 40 EDAB Cc1cc(C(=O)N2CCN(CCC(=O)Nc3ccccc3)CC2)on1 69566880 RNOWPJJFJVVJKY-UHFFFAOYSA-N 342.399 1.770 0 40 EDAB CCN1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1 69531318 ILYCQBOCNLRUOO-AWEZNQCLSA-N 325.478 1.242 0 40 EDAB CCc1nc(CN2CCC[C@@H](NCC(=O)NCc3ccco3)C2)no1 69661422 BVDANQHYUCYAOC-CYBMUJFWSA-N 347.419 1.095 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 96408576 RZEOVQRRGPJGTO-CQSZACIVSA-N 340.420 1.398 0 40 EDAB O=C(C[C@@H]1C=CCC1)Nc1ccccc1NCC(=O)N1CCNC1=O 69632549 SRJCRYCTIIQTCA-CYBMUJFWSA-N 342.399 1.945 0 40 EDAB CCOCCN1CCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 69661496 ITGIZNNFGCTAQA-GOSISDBHSA-N 349.450 1.800 0 40 EDAB O=C(CCS(=O)(=O)c1ccccc1)N1CCC[C@@H](n2cccn2)C1 69704373 DAFKXJAAPVSBQS-OAHLLOKOSA-N 347.440 1.911 0 40 EDAB CN(c1cccnn1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 69744826 MRIOMVIEWFQCEF-UHFFFAOYSA-N 340.383 1.946 0 40 EDAB CC[C@@H](C)N(C)CCNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 69738043 BEFJQIJUNLGDIK-GFCCVEGCSA-N 348.490 1.099 0 40 EDAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(OCC(N)=O)cc2)c1 69739814 HNLUGCOSOMPTNJ-AWEZNQCLSA-N 342.395 1.943 0 40 EDAB C[C@H]1Oc2c(cccc2C(=O)N2CCC[C@@H]2Cn2cccn2)NC1=O 69744644 AOCPPJVGLMAXJT-CHWSQXEVSA-N 340.383 1.907 0 40 EDAB COC(=O)CN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)CCO2 69869840 WYJHLQXUPPXMQC-UHFFFAOYSA-N 349.383 1.578 0 40 EDAB CCS(=O)(=O)N[C@@H]1CCN(c2ccccc2Br)C1 69841744 AKMSEIMKUHDARV-SNVBAGLBSA-N 333.251 1.967 0 40 EDAB O=C(Nc1cnn(-c2ccccc2Cl)c1)[C@@H]1CCS(=O)(=O)C1 69842080 PBDHRTYZXKOANO-SNVBAGLBSA-N 339.804 1.899 0 40 EDAB c1cnnc(N2CCC[C@H]2CNCc2nc(-c3ccoc3)no2)c1 71859944 RAPAHZYVFCMKLU-ZDUSSCGKSA-N 326.360 1.878 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CCCCN1CC(=O)NCc1ccccn1 71897265 UPGYHEMFIRWEEL-OAHLLOKOSA-N 332.448 1.467 0 40 EDAB Cc1noc(CN(C)[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 71870795 QHSVRWDXXYFEJJ-CYBMUJFWSA-N 332.408 1.735 0 40 EDAB CCOC(=O)CCCS(=O)(=O)N1CCC[C@@H]1CN1CCCC1 71893102 YDWBJXKRSUJEDJ-CQSZACIVSA-N 332.466 1.220 0 40 EDAB COc1cc(CN2CCNC(=O)C2)cc(Br)c1OC 71842038 XODZGFKTIOCFPW-UHFFFAOYSA-N 329.194 1.398 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](NCC(=O)NCc1ccccn1)CC2 71871849 XDOAPHJXKXUZGW-CQSZACIVSA-N 328.420 1.017 0 40 EDAB Cc1cccc(NS(=O)(=O)c2ncn(C)c2Cl)c1C(=O)O 71909723 NIPRWOUNNBEVNL-UHFFFAOYSA-N 329.765 1.881 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C(=O)O)cc1 71909275 CGUROTHOPFBUNA-UHFFFAOYSA-N 348.380 1.854 0 40 EDAB COc1c(CNC(=O)N[C@H]2CCN(CC3CCCC3)C2)c(C)nn1C 97377847 MLGFEJHPDFIVMX-HNNXBMFYSA-N 349.479 1.801 0 40 EDAB Cc1nccc(N2CCN(C(=O)NCCc3cscn3)CC2)n1 97376484 ASHQSPSVKQIXHX-UHFFFAOYSA-N 332.433 1.316 0 40 EDAB O=C(NCc1cc(Cl)ccn1)N1CCN(c2ncccn2)CC1 97373462 QRTHVLVZUGDUQA-UHFFFAOYSA-N 332.795 1.557 0 40 EDAB COCCN(CC(=O)OC)C(=O)c1csc(-c2ccc(C)o2)n1 78714024 CXAGHJIJFJPNQJ-UHFFFAOYSA-N 338.385 1.973 0 40 EDAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@H]1CCS(=O)(=O)C1 84640693 QVKKRMVSHWGMAN-YPMHNXCESA-N 326.418 1.152 0 40 EDAB C[C@@H](Nc1nccn2nnnc12)[C@H](O)c1ccc(Br)cc1 95407602 WBZFWAZDJUPQNY-KCJUWKMLSA-N 349.192 1.816 0 40 EDAB CO[C@@H]1CCCC[C@H]1NC(=O)N1CCN(Cc2ccncc2)CC1 74758821 JWYHVLMSJVLCTR-IAGOWNOFSA-N 332.448 1.866 0 40 EDAB Cc1cccc(CNC(=O)Cn2nc(C(F)(F)F)ccc2=O)c1 89669511 IDCIMNVYBZEWIJ-UHFFFAOYSA-N 325.290 1.887 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cn1 89652209 AHGWGOMLIXJIDQ-RDJZCZTQSA-N 327.428 1.934 0 40 EDAB NC(=O)C(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12 408569896 KEGSEZYVZWNTKE-UHFFFAOYSA-N 325.324 1.219 0 40 EDAB COc1ccc([C@H](NS(=O)(=O)CC2CCC2)C(=O)O)cc1F 548226636 VRJARZXULOOCBE-ZDUSSCGKSA-N 331.365 1.680 0 40 EDAB CCC[C@H](C(=O)NS(=O)(=O)c1cc(C)c(F)cc1F)N(C)C 125389578 WQAVXKBNDQJSLN-GFCCVEGCSA-N 334.388 1.808 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1 32648536 JOQBBKWZIXWDSY-UHFFFAOYSA-N 334.401 1.898 0 40 EDAB COc1ccc(CNC(=O)[C@@H](C)NC(=O)c2cccnc2)cc1OC 36359293 VDAYICXSDCZJKJ-GFCCVEGCSA-N 343.383 1.534 0 40 EDAB CC[C@H](OC)C(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 520982863 LZMNAJOCHUJXGN-HNNXBMFYSA-N 344.415 1.806 0 40 EDAB O=S(=O)(NCCc1ccccc1)c1cnn(-c2ccccn2)c1 72239031 LNMHNZIYKKREQM-UHFFFAOYSA-N 328.397 1.788 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CCO1 183986606 GWOSFDBZSPMXFM-DLBZAZTESA-N 345.443 1.015 0 40 EDAB COc1ccccc1CCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 32895595 MBGBGJRCAWSIHK-CHWSQXEVSA-N 328.434 1.181 0 40 EDAB CCOC(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21 72347687 ASDRWOSKMWLCCJ-UHFFFAOYSA-N 339.355 1.438 0 40 EDAB CC(C)(C)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 35686498 NJZIQKVIPXKCBR-CQSZACIVSA-N 333.432 1.571 0 40 EDAB CCN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 72242219 KGCCZHPOSVJSCE-DOTOQJQBSA-N 333.407 1.509 0 40 EDAB Nc1nc(N2CCN(c3ccccc3Cl)CC2)c2nc[nH]c2n1 31817596 GKZHERWGCDTNCM-UHFFFAOYSA-N 329.795 1.915 0 40 EDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 218095568 LFYXCTKVCKRHEA-KURKYZTESA-N 347.436 1.572 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@H](CN)C[C@@H]2C)c2cccnc12 563121546 LCHCEHFOINXLPS-RYUDHWBXSA-N 335.429 1.601 0 40 EDAB CC(=O)N1CCC[C@@H](Cc2cncc(C(=O)NC3CCCC3)n2)C1 72365904 GRQCTUFSYOXORY-AWEZNQCLSA-N 330.432 1.950 0 40 EDAB COc1cc2c3c(c1)C(CN1CCNCC1)=CC(C)(C)N3C(=O)C2=O 575473016 XWNLPCDLYKHDKF-UHFFFAOYSA-N 341.411 1.305 0 40 EDAB Cn1nc(C(=O)Nc2ccc(Cl)cn2)c2c1CCS(=O)(=O)C2 41120917 HXMJHGXNNWBAMW-UHFFFAOYSA-N 340.792 1.192 0 40 EDAB O=C(Cn1ncccc1=O)NCc1ccnc(-c2ccsc2)c1 225756454 NSLFCNNMYCEEFH-UHFFFAOYSA-N 326.381 1.683 0 40 EDAB CCN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)C1 81358923 DMMTZYSFYAKJQH-CZUORRHYSA-N 339.386 1.380 0 40 EDAB Cc1cnc2cc(C(=O)N[C@H]3CCCN(c4ncccn4)C3)ccn12 574170188 KFWQHBJTCSLPPX-HNNXBMFYSA-N 336.399 1.832 0 40 EDAB NC(=O)Cc1cccc(OCC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 193599838 KAOCKUGTMQEHRU-LBPRGKRZSA-N 344.333 1.894 0 40 EDAB Cc1cc(C)c(N2CC[C@@H](N3CCN(CCO)[C@@H](C)C3)C2=O)c(C)c1 225599897 JPZLPRDFSHRVDW-ZWKOTPCHSA-N 345.487 1.716 0 40 EDAB O=S(=O)(CCc1cccs1)NC[C@@H]1CN(C2CC2)CCO1 195378008 FMLBOAUHTBVMHS-CYBMUJFWSA-N 330.475 1.073 0 40 EDAB CN1C[C@H](N(C)C)CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC1=O 96113470 ZKRRVVDMRRFSQS-IAGOWNOFSA-N 346.475 1.619 0 40 EDAB biogenic,in-vitro CC(C)(C)c1nnnn1CC(=O)Nc1ccc(N2CCCCC2)nc1 96482524 XYUCVGFYNMJVEZ-UHFFFAOYSA-N 343.435 1.995 0 40 EDAB O=C(Nc1cccnc1)[C@H]1CO[C@@H]2CN(CC3CCOCC3)C[C@@H]21 96219584 VVHFMLDZSDPAKL-IXDOHACOSA-N 331.416 1.394 0 40 EDAB O=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(c3ccccc3)C2)C1 96074515 KQUPCLQCVABEMP-MAUKXSAKSA-N 329.400 1.707 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 583615419 HMUQJZZMMOWMIQ-ZNHODATISA-N 346.406 1.601 0 40 EDAB Cc1cccc(C(=O)N2C[C@H](c3nc(C)no3)C[C@H]3OCC[C@H]32)n1 96038924 NXDGYQWDAFVTCH-BPLDGKMQSA-N 328.372 1.869 0 40 EDAB COc1ccc(CCNC(=O)Cn2c(C)cc(O)cc2=O)cc1OC 96222776 KROMTQAKCNIGBV-UHFFFAOYSA-N 346.383 1.238 0 40 EDAB biogenic CNc1ncc(C(=O)N2CCC(NC(=O)c3ccc[nH]3)CC2)s1 96486574 MTFQZTCPPDVKCH-UHFFFAOYSA-N 333.417 1.548 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2[C@H](CCN2Cc2ccco2)O1 96186579 QDDZYEZEWQZWOR-ULQDDVLXSA-N 327.384 1.723 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)N[C@@H]2CCc3ccc(F)cc32)cn1 96421543 RXQMSDUFMWURGM-WBVHZDCISA-N 332.379 1.753 0 40 EDAB Cc1cccc(CN2C[C@@H]3CN(C(=O)[C@@H]4CCOC4)C[C@@H]3C2=O)c1 96245290 WGBLEPVCIXZQDQ-ZACQAIPSSA-N 328.412 1.448 0 40 EDAB CO[C@H]1CCN(C(=O)C2CCOCC2)[C@@H]2CN(Cc3ccco3)C[C@H]12 96109506 QIEUZYVKPBJTNZ-KSZLIROESA-N 348.443 1.754 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)c2ccnc(N3CCN(C)CC3)c2)C1(C)C 96414715 VARUSEGXMQLCHS-HZPDHXFCSA-N 346.475 1.767 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccccn2)Cc2nccn2C1 96066837 SKMPHPPQTYLUKA-OAHLLOKOSA-N 343.431 1.015 0 40 EDAB COC(=O)N(C)CCCC(=O)Nc1ccc2oc(C(N)=O)nc2c1 585125766 FGGMYYUHILFYMH-UHFFFAOYSA-N 334.332 1.344 0 40 EDAB Cc1cc(CNC(=O)[C@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)no1 585121131 GRTKMWDEKUZMOB-LRDDRELGSA-N 339.392 1.360 0 40 EDAB CC[C@H](NC(=O)c1cc(N)nc(Br)c1)[C@@H](O)C(C)C 585131610 AKUXXACHQKVNRG-CABZTGNLSA-N 330.226 1.952 0 40 EDAB CCO[C@H]1CSC2(C1)CN(S(=O)(=O)c1ccc(OC)cc1)C2 247903518 GUVVVIGJXLJJFR-CYBMUJFWSA-N 343.470 1.980 0 40 EDAB Cn1cc(CN2CCO[C@H]3CC[C@H]2[C@@H]3OCc2cccnc2)cn1 248124830 LHCCAFLRCJGMJK-BZSNNMDCSA-N 328.416 1.764 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)Cn3cccn3)CCO2)ccn1 257230134 GAYUURXZKWIUPT-MRXNPFEDSA-N 343.431 1.204 0 40 EDAB Cc1cc(-c2cccc([C@H]3CCCN3S(=O)(=O)N(C)C)n2)[nH]n1 257202312 ALFPRSFUDSMIME-OAHLLOKOSA-N 335.433 1.723 0 40 EDAB C/C=C/C=C/C(=O)O[C@@H]1CC/C=C/[C@H](O)[C@@H](O)[C@@H](CCC)OC1=O 253389620 TXPRZPDVUZCNLB-VRBHEVOQSA-N 338.400 1.814 0 40 EDAB biogenic,in-vitro O=C(c1ccccc1F)N1CCc2c(O)nc([C@@H]3CCNC3)nc2C1 257241419 HXZNFBQQRCYEPV-LLVKDONJSA-N 342.374 1.597 0 40 EDAB COc1ccc2c(O)nc(C3CCN([C@@H]4COC[C@H]4O)CC3)cc2c1 257226539 FLBDQUMSDGBUNX-QZTJIDSGSA-N 344.411 1.888 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cccnc2-c2cncs2)CC1 257268720 MMWOJZQEHIOURT-UHFFFAOYSA-N 330.413 1.900 0 40 EDAB Cc1cc(C)n(CC(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)n1 257320810 VYTJBFDPMFAFLR-SFHVURJKSA-N 343.431 1.043 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(Cc3cscn3)CCN2C)c1 257302726 SEBGJYOIFLWSOP-INIZCTEOSA-N 330.457 1.991 0 40 EDAB O=C1CO[C@H]2CCN(C(=O)c3cc4cc(Cl)ccc4o3)C[C@@H]2N1 257304658 SMOMDYGYUBIDJW-AAEUAGOBSA-N 334.759 1.816 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2noc(C)c2COC)CCO1 257200079 ABXBRKDBODFGNM-LBPRGKRZSA-N 347.375 1.175 0 40 EDAB CN(C)C(=O)CN1CCC[C@@]1(CCCc1cccnc1)C(=O)N(C)C 257214344 CLQQKDDNJAZREO-IBGZPJMESA-N 346.475 1.415 0 40 EDAB Cn1c(C(F)(F)F)nn(CC(=O)NCc2ccccc2Cl)c1=O 85470760 NNUVWJOLRNLQAD-UHFFFAOYSA-N 348.712 1.570 0 40 EDAB CN=[S@@](=O)(c1ccc(NC(=O)NC[C@H]2CCCO2)cc1)N(C)C 1615613170 GCHIDVUVPRFPBJ-ZLOXQWCVSA-N 340.449 1.920 0 40 EDAB COC(=O)[C@H](CCn1ccc(C(C)=O)n1)NC(=O)OC(C)(C)C 1615611175 USTQGRASZJDLAG-LBPRGKRZSA-N 325.365 1.542 0 40 EDAB CS(=O)(=O)NCc1ccccc1NS(=O)(=O)C1=CCCCC1 1616042220 NUDWXOZNKSCEAY-UHFFFAOYSA-N 344.458 1.935 0 40 EDAB O=C(NCC(=O)N1CC[C@H](Oc2ncc(F)cn2)C1)c1ccccc1 390828682 SWBSOARLOTUVAI-AWEZNQCLSA-N 344.346 1.025 0 40 EDAB Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3nccn4cnnc34)C2)s1 575414740 ZHZTWJJIOKBSDP-LLVKDONJSA-N 343.416 1.206 0 40 EDAB COc1ccc(C)cc1C(=O)N(CC(C)C)[C@@H]1COC[C@@H](O)[C@H]1O 585287017 QXMLGLIXHKPCDS-INMHGKMJSA-N 337.416 1.222 0 40 EDAB CO[C@@H]1CCN(CC(=O)N2CCOCC2)C[C@H]1Cc1ccccc1 585270770 ALUJCFMLBFGNRR-QZTJIDSGSA-N 332.444 1.425 0 40 EDAB Cc1c(CN2CCn3c(COCC4CC4)nnc3[C@H]2C)cnn1C 585098323 WFWMAXDZTFKXSH-CYBMUJFWSA-N 330.436 1.823 0 40 EDAB CC(=O)c1cccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)c1 585137246 OHDOWOGWTVYIOL-UHFFFAOYSA-N 340.445 1.902 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2ccc(Cl)cc2Cl)[C@@H]1O 585287368 YYHURDPGEMWYMS-UPJWGTAASA-N 334.199 1.840 0 40 EDAB COc1cc(OC)c2[nH]c(C(=O)N[C@H](C)CN3CCOCC3)cc2c1 47151498 SOLXHTIGEZCIGM-GFCCVEGCSA-N 347.415 1.636 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 56321987 NXGUQFCDKIVDKS-NSHDSACASA-N 339.417 1.367 0 40 EDAB CCn1cc(CN2CCCN(C(=O)c3cncnc3C)CC2)cn1 69951958 MPCXGSIQPHYRGK-UHFFFAOYSA-N 328.420 1.350 0 40 EDAB COC(=O)[C@@H](C)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C 1579885 DMNVPALQHCBBCC-ZJUUUORDSA-N 334.438 1.311 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N(C)[C@H](c1ccccc1C)C(C)C 79002073 GFTUPIWQTHHSBF-SFHVURJKSA-N 333.432 1.403 0 40 EDAB O=C(Cn1ccnc1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 580496796 QTLSRIPDNGLNLV-MRXNPFEDSA-N 348.834 1.726 0 40 EDAB CO[C@H]1CCC[C@H]1S(=O)(=O)NCc1noc(-c2cccs2)n1 1615623260 RDSHDGDGHHMTGP-GXSJLCMTSA-N 343.430 1.785 0 40 EDAB CCC(=CC(=O)NCCc1nnc2c(=O)n(C3CC3)ccn12)CC 1615604602 ASFFFXLSRNSIIS-UHFFFAOYSA-N 329.404 1.631 0 40 EDAB C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1 5141600 DYRWTUITSIYILW-SNVBAGLBSA-N 345.374 1.972 0 40 EDAB in-vitro O=C(NCCC1=CCCCC1)C(=O)NC[C@@H]1COC2(CCCC2)O1 5352781 QDSMPUOQWAHSFI-OAHLLOKOSA-N 336.432 1.795 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2cc(C)oc2C)NC(=O)N[C@@H]1C 5992300 GBEAKQPDUKBACE-SECBINFHSA-N 336.344 1.572 0 40 EDAB CC(=O)N1CCc2nc(C3CCN(C(=O)C4CCC4)CC3)ncc2C1 19018788 KECHDEDKJBUYPX-UHFFFAOYSA-N 342.443 1.887 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCc1ccccn1 19576324 WKFWQKQAVDBBMM-QMTMVMCOSA-N 335.363 1.785 0 40 EDAB Cc1cnccc1CCNC(=O)N1CCO[C@@H](c2cnn(C)c2)C1 164060269 WYIVRVKBRWWVFC-MRXNPFEDSA-N 329.404 1.449 0 40 EDAB O=C1COc2ccccc2N1CC(=O)N1CCOC[C@@H]1c1ccco1 604859022 NSNAGQYQFRBBJA-CQSZACIVSA-N 342.351 1.605 0 40 EDAB NC(=O)C1CCN(C(=S)NC(=O)Cc2ccc(Cl)cc2)CC1 226346347 LSIINSUMOXPIFH-UHFFFAOYSA-N 339.848 1.481 0 40 EDAB CN1CCN(C(=O)c2cc([C@@H]3CNCCO3)nc3ccccc23)CC1 257325528 WTIOMBRJEBXXQM-SFHVURJKSA-N 340.427 1.283 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)[C@H]2CCOC2)C3)nc1 1888859584 ZUBCVXGSPROUGJ-HDMKZQKVSA-N 331.416 1.829 0 40 EDAB O=C(c1ccc2nc(C3CC3)cn2n1)N1CCN(c2ccccn2)CC1 1888900942 FYCPOJSEOBPEFC-UHFFFAOYSA-N 348.410 1.964 0 40 EDAB Cn1ncnc1CN1CC[C@H](Oc2ccncc2Br)C1 1776008866 QERTXAMETSVBEQ-JTQLQIEISA-N 338.209 1.626 0 40 EDAB CNC(=O)CN(C)c1ncncc1-c1nc(-c2ccccc2F)no1 240178507 YXZHTBBAGOGAJL-UHFFFAOYSA-N 342.334 1.515 0 40 EDAB O=S(=O)(c1cc(Cl)sc1Cl)N1CCN(CCO)CC1 35112028 NNFVKUMHZCIFCZ-UHFFFAOYSA-N 345.273 1.354 0 40 EDAB Cc1cn2nc(N3CCN(c4ncnc5[nH]ccc45)CC3)ccc2n1 2087046754 SERSFVLLGZVGPE-UHFFFAOYSA-N 334.387 1.636 0 40 EDAB Cc1ncnc(OCC2CCN(c3cc(=O)n(C)cn3)CC2)c1C 1565519307 KNZGUXJILKZYNG-UHFFFAOYSA-N 329.404 1.483 0 40 EDAB CC(=O)N1c2ccc(Br)cc2C2=NNC(S)=N[C@@]21O 2491355 WCJGFZBRXJKAAD-NSHDSACASA-N 341.190 1.055 0 40 EDAB Cc1ncnc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1F 1775976359 ZEGLXDQJPAWYTC-UHFFFAOYSA-N 340.362 1.763 0 40 EDAB COc1cnc(O[C@@H]2CCN(CC(=O)Nc3ccc(C)cc3)C2)nc1 2086869150 YITBTKADMVAGDV-OAHLLOKOSA-N 342.399 1.885 0 40 EDAB O=C(Cn1nnc2ccccc21)NC[C@@H]1CCCN1c1nccs1 206781640 KHYKBDBBRVWYLO-LBPRGKRZSA-N 342.428 1.673 0 40 EDAB Cn1cccc(C(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)c1=O 207985588 WSOAFXYKJFOUEU-LJQANCHMSA-N 338.363 1.687 0 40 EDAB CCc1ccc(OC)c(S(=O)(=O)NC[C@](C)(COC)OC)c1 575612148 KZVAORGRRUHWDF-OAHLLOKOSA-N 331.434 1.587 0 40 EDAB Cc1cc(O[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)nc(C)n1 575608156 DQLUYZZMBJXDIC-CQSZACIVSA-N 348.428 1.721 0 40 EDAB Cc1nc(N2CCC(Cn3cnccc3=O)CC2)c2cnn(C)c2n1 585636853 AKFHEKOTLGYARS-UHFFFAOYSA-N 339.403 1.145 0 40 EDAB COc1ccccc1-c1nc2s/c(=C\c3ccco3)c(=O)n2n1 526860 DBMGSTCAAGBHNU-LCYFTJDESA-N 325.349 1.967 0 40 EDAB CC[C@@]1(c2ccccc2)C(=O)N(CN2CCOCC2)C(=O)N=C1O 20065220 FOEQHWOACOYFPK-KRWDZBQOSA-N 331.372 1.543 0 40 EDAB O=C(CNC(=O)CSc1ccc(F)c(F)c1)NCC(F)(F)F 40554082 DTWJUOQHVJLCMG-UHFFFAOYSA-N 342.289 1.852 0 40 EDAB CCc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cnn1-c1ccc(O)nn1 32034138 DYKLPUOZBKHAQO-QWRGUYRKSA-N 331.376 1.180 0 40 EDAB CCOC(=O)C(=O)N1CCN(C(=O)c2cc3ccccc3n2C)CC1 20719845 RCYIPXITWXIJCC-UHFFFAOYSA-N 343.383 1.026 0 40 EDAB CCOc1cc([C@@H]2C=C(C(=O)O)Nc3nnnn32)cc(Cl)c1O 101675716 MRVCVRKBPPTOEN-VIFPVBQESA-N 337.723 1.414 0 40 EDAB O=C(CSc1nnnn1-c1cccnc1)Nc1ccc(F)cc1 1357569 FZHFBXOJOQDJRH-UHFFFAOYSA-N 330.348 1.927 0 40 EDAB O=C(CCc1nc(-c2cccs2)no1)N[C@H]1CCS(=O)(=O)C1 32784486 FLSBVBNCLTYOOP-VIFPVBQESA-N 341.414 1.034 0 40 EDAB CN(c1ccccc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 1480056 XEOQBNWZCYEVJI-UHFFFAOYSA-N 326.399 1.159 0 40 EDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCCN(Cc2cscn2)CC1 69842532 RUEFORHVOWTOGX-ZDUSSCGKSA-N 348.472 1.188 0 40 EDAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1O 21561216 LODMUXYPYKSWPH-UHFFFAOYSA-N 331.372 1.377 0 40 EDAB O=C([C@H]1COCCO1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32805559 FWRCYSSPPFAJDV-RHSMWYFYSA-N 333.384 1.927 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cccnc2)cc1 6044421 FRDIQNUFZJNVOG-ZDUSSCGKSA-N 333.413 1.373 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccn2)cc1 6546547 URAGRFVYSFNNAT-ZDUSSCGKSA-N 333.413 1.373 0 40 EDAB COc1ccc(NC(=O)CCc2ccccc2)cc1S(N)(=O)=O 7006799 YPCOYRDADADITK-UHFFFAOYSA-N 334.397 1.914 0 40 EDAB CCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1c(C)nn(C)c1C)CC2 69876669 VKGXBKQSLKUTKK-YPMHNXCESA-N 345.451 1.122 0 40 EDAB Cn1c([C@H]2CCCN2CCC(=O)N2CCOCC2)nc2ccccc21 84116642 AENLDFFLBVXPIH-QGZVFWFLSA-N 342.443 1.959 0 40 EDAB COc1ccc2c(ccn2CC(=O)N[C@@H](C(N)=O)c2ccccc2)c1 46757173 YZTLZIYHMAOKLC-GOSISDBHSA-N 337.379 1.993 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N[C@H]1CCS(=O)(=O)C1)=C2 46742065 HDIJWOIGRLHPRS-ZDUSSCGKSA-N 337.397 1.164 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccc(O)cc2)CC1 22010179 MLGGVAFLTAQRAR-GFCCVEGCSA-N 343.435 1.109 0 40 EDAB CC(=O)N[C@H](CC(=O)N[C@H](C)CN1CCOCC1)c1cccs1 46884689 FXFOOJVNEJMGJO-TZMCWYRMSA-N 339.461 1.152 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 69951654 OJGBFJSRELYIEU-AWEZNQCLSA-N 339.867 1.609 0 40 EDAB O=C(CCNc1ncnc2[nH]cnc12)NCCc1ccc(O)cc1 12296560 SKSBIYFHPDITSV-UHFFFAOYSA-N 326.360 1.219 0 40 EDAB biogenic C[C@H](Sc1ccccn1)C(=O)Nc1cccc(S(N)(=O)=O)c1 9746288 VIXGIPSQRXWCKW-JTQLQIEISA-N 337.426 1.848 0 40 EDAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2nncs2)C1=O 22705115 TUTVPYCPISJFGW-AWEZNQCLSA-N 349.347 1.083 0 40 EDAB COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 2917282 KELVNRYCVOLFMS-UHFFFAOYSA-N 328.372 1.261 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)c4ccc(F)cc4)CC3)ncnc21 23462115 NYKOFGDOHLLFPP-UHFFFAOYSA-N 340.362 1.465 0 40 EDAB COc1cc(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)ccc1O 47513388 NGKXZBJTTQEWRE-MRXNPFEDSA-N 327.336 1.799 0 40 EDAB Cn1nc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)ccc1=O 24868690 GSWUFIDYKIOPAI-CYBMUJFWSA-N 340.383 1.271 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)[C@H]3CCCCN3CC)CCO2)n1 76046726 LKJBDYMTBOBDIA-ZIAGYGMSSA-N 335.452 1.532 0 40 EDAB COc1ccc(/C=C/C(=O)NC(=S)N2CCOCC2)cc1OC 1297444 BXPBYPYOGPISHZ-GQCTYLIASA-N 336.413 1.450 0 40 EDAB CC(C)Cn1ccnc1CNS(=O)(=O)c1cn(C(C)C)cn1 97052393 DUFKDHUNWPGZFX-UHFFFAOYSA-N 325.438 1.795 0 40 EDAB C[C@@H]1CN([C@H](C)CNC(=O)[C@H]2CC(=O)Nc3ccccc32)C[C@@H](C)O1 106057205 PAIDYKJKFUQOGD-KQTLUZQSSA-N 345.443 1.726 0 40 EDAB C[C@H]1CN(CCNC(=O)N[C@H]2CCOc3ccccc32)C[C@@H](C)O1 106084998 MJZNUOOTFBCIDH-LZWOXQAQSA-N 333.432 1.919 0 40 EDAB CCc1c(C)nc2ccccc2c1N1CCN2C(=O)C(=O)NC[C@@H]2C1 97046801 MMINIWFAZWOKRT-CYBMUJFWSA-N 338.411 1.253 0 40 EDAB C[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(c2ncccn2)CC1 25078887 IGEZHFQTBHVRDC-GFCCVEGCSA-N 345.428 1.005 0 40 EDAB Cn1ccs/c1=N\C(=O)COc1ccc(N2CCCC2=O)cc1 25320170 WBNDXNXAXFMOKJ-MSUUIHNZSA-N 331.397 1.720 0 40 EDAB O=C(N[C@@]1(C(=O)O)CCSC1)c1cncc(Br)c1 43508717 LSMUERGOEJPRLM-NSHDSACASA-N 331.191 1.534 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](OC)c2ccccc2)o1 56468733 HNCOACFQQGHXSC-CYBMUJFWSA-N 338.385 1.305 0 40 EDAB COCCn1cc(NC(=O)N2CCN(Cc3cc(C)no3)CC2)cn1 47876304 INBXLEICATULQV-UHFFFAOYSA-N 348.407 1.176 0 40 EDAB Cc1cc(Br)c(O)c(C(=O)NCC(=O)N2CCCC2)c1 47817080 ZPRMDLSGSNPBLK-UHFFFAOYSA-N 341.205 1.815 0 40 EDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCC3CCC3)cc(C(C)C)nc21 26146565 XRLXUCBQQRLBPR-UHFFFAOYSA-N 344.415 1.758 0 40 EDAB CC(C)(NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)C(N)=O 57258068 YZSKRGQIVRBKMA-UHFFFAOYSA-N 330.363 1.494 0 40 EDAB C[C@H]1C(=O)NCCN1C[C@@H](O)COc1ccccc1C(F)(F)F 108467789 KLCLTNDNPACFJO-WDEREUQCSA-N 332.322 1.265 0 40 EDAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCC1(O)CCCC1 72283844 OJXZWKPQXOJERJ-UHFFFAOYSA-N 341.367 1.564 0 40 EDAB C/C=C/C=C/C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 57735351 ITLVGNTXOVKFMI-COBAKMAKSA-N 349.456 1.376 0 40 EDAB Cc1cc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)c(C)s1 72294465 UAJKGBHFAOCSNA-UHFFFAOYSA-N 327.431 1.858 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)Cn2nnc3ccccc32)no1 72299180 MDJSFTVNOMAUQB-CYBMUJFWSA-N 326.360 1.740 0 40 EDAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1CN1CCN(Cc2ccccc2)CC1 102838458 QYRSJEJRHHANEV-ROUUACIJSA-N 341.455 1.937 0 40 EDAB NC(=O)N1CCC(C(=O)NCCc2ccc(-n3cccn3)cc2)CC1 48265730 IULLRICVEKIIEX-UHFFFAOYSA-N 341.415 1.322 0 40 EDAB Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@@H](C)CN1CCCC1 58217959 BQNNJWRAAPYOBW-CQSZACIVSA-N 342.443 1.553 0 40 EDAB CCn1cnnc1CNC(=O)C1CCN(c2ccc(Cl)nn2)CC1 48231612 NBCBXRNYHYDBBN-UHFFFAOYSA-N 349.826 1.274 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCc3ccccc32)C1 48261944 OMFJMUXRVGXRPR-HIFRSBDPSA-N 337.445 1.397 0 40 EDAB COc1ccc(CN2CCN(C[C@H](O)Cn3cccn3)CC2)cc1F 44975168 QINFNTCVMCZAFI-INIZCTEOSA-N 348.422 1.210 0 40 EDAB O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccc(F)c2ncccc12 44935835 HLKACYKUUHZEJZ-LBPRGKRZSA-N 337.376 1.321 0 40 EDAB CO[C@@H](C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 44955690 MTCPOZBWUSAJNJ-DZGCQCFKSA-N 340.445 1.162 0 40 EDAB CC[C@@H](C)NC(=O)CCNC(=O)[C@@H]1CCCN(c2ncccn2)C1 58356488 QXJWFPXKQXGXQP-ZIAGYGMSSA-N 333.436 1.114 0 40 EDAB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc(O)cc1 2232802 BJLYSVXGUGCKTE-AWEZNQCLSA-N 333.369 1.423 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H](C)[C@@H]1CCCO1 48319804 VSWCUVRYJFKZGF-WFASDCNBSA-N 342.399 1.367 0 40 EDAB COc1ccc(CN(C)[C@H](C)C(=O)NC(=O)NC2CC2)c(OC)c1 11215853 NFCLEJUBXGOOLV-LLVKDONJSA-N 335.404 1.512 0 40 EDAB O=C(NCCCn1cncn1)N1CCN(c2cccc(Cl)c2)CC1 45646919 VFFBTGHAIBVYFQ-UHFFFAOYSA-N 348.838 1.853 0 40 EDAB O=C(NCc1cccnc1OCC(F)(F)F)N1CCC[C@@H](O)C1 45942588 NSBBIWIENDAPKZ-LLVKDONJSA-N 333.310 1.689 0 40 EDAB CCNC(=O)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 3493100 RICMLVNCZQUXRB-UHFFFAOYSA-N 340.796 1.254 0 40 EDAB CC(C)N(C)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 49574821 IUVXGBNARLOKCG-OAHLLOKOSA-N 342.399 1.498 0 40 EDAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCN2CCCC[C@@H]2C1 71839957 YFXCRTVBUSBHQO-HZPDHXFCSA-N 329.448 1.390 0 40 EDAB O=C(COC(=O)C[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1 4392832 VRVOHUJXEVABAP-SNVBAGLBSA-N 345.804 1.647 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)c1 71185417 WRIHXXKXVVVPPZ-CQSZACIVSA-N 337.383 1.677 0 40 EDAB CS[C@@H](C)C(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1 71858632 JAPMJKODWFRTQX-NSHDSACASA-N 344.458 1.398 0 40 EDAB O=C1CCCN1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 65476103 UYSJDKJZFJXNSF-UHFFFAOYSA-N 342.443 1.979 0 40 EDAB Cc1cc(N2CCN(Cc3nnc4n3CCCCC4)CC2)nc(C)n1 65418592 NCXTXCACQAKHCE-UHFFFAOYSA-N 341.463 1.734 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCc2nccn2C1)c1ccc2c(c1)OCCO2 72232579 JZNAEQNLLOUNCU-GXTWGEPZSA-N 327.384 1.889 0 40 EDAB COC(=O)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 9114054 ONXRHHKYOWZMCU-INIZCTEOSA-N 339.347 1.871 0 40 EDAB CCN1CCN(c2nc3sc4c(c3c3ncnn23)CCC4)CC1 5529717 UQSUIMKYOFQZET-UHFFFAOYSA-N 328.445 1.970 0 40 EDAB COc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1 6787687 OKZDDRXZFAGEFE-UHFFFAOYSA-N 336.369 1.604 0 40 EDAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCN(c2ncccn2)CC1 14848294 MGOCNIFTPBQHEF-UHFFFAOYSA-N 348.410 1.554 0 40 EDAB Cc1ccccc1SCC(=O)NCCCN1C(=O)NC(C)(C)C1=O 71907997 MTLUKJSVOIAYIJ-UHFFFAOYSA-N 349.456 1.924 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7307839 YKKQYKKINYPCTF-LBPRGKRZSA-N 346.474 1.548 0 40 EDAB CCCNC(=O)Cn1ncn2nc(-c3ccc(CC)cc3)cc2c1=O 15772678 LDRCKOUAYLQMPD-UHFFFAOYSA-N 339.399 1.647 0 40 EDAB COc1cc([C@@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)ccc1O 9316428 CCMKMMGCIKUNOR-QMMMGPOBSA-N 333.369 1.680 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)Nc1cccc(F)c1 69032432 ZKCRGWICDXWGEK-UHFFFAOYSA-N 329.397 1.667 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)[C@@H]1CCCN1C(=O)C1CCCC1 69384723 MEGFVVAXINPRSU-HNNXBMFYSA-N 337.464 1.541 0 40 EDAB CCOC(=O)c1sc2[nH]c(=O)n(Cc3ccco3)c(=O)c2c1C 17045065 ZIDDGBIZZMJSIQ-UHFFFAOYSA-N 334.353 1.878 0 40 EDAB Cc1cnn([C@H](C)[C@H](C)NCc2cnc(N3CCOCC3)nc2)c1 69463888 VJVWPNSVBZKZRN-LSDHHAIUSA-N 330.436 1.557 0 40 EDAB C[C@H]1CN(CC(=O)Nc2nccs2)CCN1Cc1nccn1C 69464407 FVZLBFCYURQVMK-LBPRGKRZSA-N 334.449 1.021 0 40 EDAB Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)o1 69414396 YXUGMPGLYOPBBE-VOTSOKGWSA-N 347.396 1.806 0 40 EDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CCCCCC2)cc1 20245575 LIHWBARNKBMMIA-UHFFFAOYSA-N 339.461 1.945 0 40 EDAB CC(=O)NCCN(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 69510218 CCYWOCBUOKWMMR-IBGZPJMESA-N 333.476 1.500 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccc(-n3ccc(C)n3)cc1)C2 69571413 AUUGAPKLJQVGKF-UHFFFAOYSA-N 336.399 1.991 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CC[C@H]4CC[C@@H](C3)N4C(C)C)nc2n1 96443946 QTIRUXIPYVVXOW-CABCVRRESA-N 342.447 1.828 0 40 EDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCc3[nH]ncc3C2)cc1 96430555 STBGTMKXXYYGEP-QGZVFWFLSA-N 338.411 1.794 0 40 EDAB CC[C@@H](NC(=O)c1cc[nH]n1)[C@@H]1CN(Cc2ccccc2)CCO1 96473743 WMXLJLMGBDGCAA-WBVHZDCISA-N 328.416 1.819 0 40 EDAB CN(CCN1CCOCC1)C(=O)CCCC(=O)c1ccc(F)cc1 69622245 LXFJRFKHJSNDGG-UHFFFAOYSA-N 336.407 1.969 0 40 EDAB COc1c(C)cnc(CN2CCN([C@@H](C)C(=O)NC(C)C)CC2)c1C 69629137 FBPDAEGOFDBBCW-INIZCTEOSA-N 348.491 1.738 0 40 EDAB CCNC(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3cccnc3)C2)O1 306132644 LOHMUXXZTJGBMA-SJLPKXTDSA-N 348.447 1.151 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(CCC(=O)Nc3cc(C)on3)C2)n1 69701384 HMHJLJCHODHKAO-HNNXBMFYSA-N 346.435 1.932 0 40 EDAB C[C@H](O)CN1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 69776760 WLFCRMYHDSXVOU-XKGZKEIXSA-N 348.487 1.440 0 40 EDAB O=C(COc1ccccc1)N1CCCN(C[C@H](O)C(F)(F)F)CC1 97141597 HLVHWBXLLNNZPL-AWEZNQCLSA-N 346.349 1.523 0 40 EDAB CC(C)(Oc1cccc(Cl)c1)C(=O)NCCCNS(C)(=O)=O 78806527 XOQZOKFYQAALEX-UHFFFAOYSA-N 348.852 1.553 0 40 EDAB O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1C[C@@H]2CCC[C@H]2C1 97227599 JSMAUZBBFNZLEJ-IRXDYDNUSA-N 348.491 1.372 0 40 EDAB Cc1nc(CN2CCC(CNC(=O)c3ccc[nH]c3=O)CC2)cs1 78917427 ZERXIOKAHWPQQB-UHFFFAOYSA-N 346.456 1.782 0 40 EDAB O=C(NS(=O)(=O)N1CCCCC1)c1occc1Br 79052247 DVZXVNZRPXPYNY-UHFFFAOYSA-N 337.195 1.503 0 40 EDAB COC(=O)Cn1ncc2c(N[C@@H](c3nc(C)no3)C(C)C)ncnc21 79063788 KGUHIXFXGMAQLK-GFCCVEGCSA-N 345.363 1.500 0 40 EDAB COC(=O)Cn1ncc2c(N[C@H](c3nc(C)no3)C(C)C)ncnc21 79063793 KGUHIXFXGMAQLK-LBPRGKRZSA-N 345.363 1.500 0 40 EDAB Cc1cc(CS(=O)(=O)N2CCN(c3cccc(O)c3)CC2)no1 95399823 NMVLZYPXPCEOND-UHFFFAOYSA-N 337.401 1.341 0 40 EDAB CC(C)c1noc(CN2CCN(C(=O)c3ccncc3F)CC2)n1 95400498 WTHNLENNQFUCPL-UHFFFAOYSA-N 333.367 1.685 0 40 EDAB CN(C)[C@@](C)(C(=O)NCC(=O)Nc1cccnc1)c1ccc(F)cc1 95402771 GCDRJSNJWBYPGS-GOSISDBHSA-N 344.390 1.752 0 40 EDAB CCOc1nc(N(C)CCn2cnnc2)ncc1Br 95415023 PIBAOUNLVOEEJS-UHFFFAOYSA-N 327.186 1.366 0 40 EDAB Cn1cc([C@@]2(C)CN(S(=O)(=O)c3cccs3)CCO2)cn1 98020254 SZJWHDUPFSKVEQ-CYBMUJFWSA-N 327.431 1.418 0 40 EDAB C[C@@H](O)c1cn(C2CN(C(=O)C3(c4cccc(F)c4)CCC3)C2)nn1 95998059 LGRFOFWKLHNKFD-GFCCVEGCSA-N 344.390 1.976 0 40 EDAB CCCCCN1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1 95999658 DFGFGZXDJCYATA-SFHVURJKSA-N 337.508 1.964 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(Cc2nc(C(C)C)no2)CC1 95956385 WSQAYWNLGMKQAZ-UHFFFAOYSA-N 347.419 1.685 0 40 EDAB CNC(=O)NC(=O)CCN1CCC[C@@H]1C(=O)OCc1ccccc1 89386334 IHBARDUXCHAOFO-CQSZACIVSA-N 333.388 1.040 0 40 EDAB Cc1nsc2ncc(C(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)cc12 89568252 JTTLZYOVDFHEFZ-GJZGRUSLSA-N 346.456 1.671 0 40 EDAB C[C@H](Cn1cccn1)NCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 75133217 OYSLXMUIXCJKND-AEFFLSMTSA-N 341.459 1.252 0 40 EDAB C[C@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)c2cnns2)C1 89894258 KBUQSCZXVSQRTD-WDEREUQCSA-N 339.465 1.877 0 40 EDAB CCOc1ccc2c(c1)c(=O)c(C(=O)NC[C@H]1CCCO1)cn2C 22237135 HJOYKIUYXRMGNR-CYBMUJFWSA-N 330.384 1.846 0 40 EDAB CN1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 113948222 CXHKHSPMTNAPOG-UHFFFAOYSA-N 345.852 1.536 0 40 EDAB CNC(=O)c1ccc(OC)c(NC(=O)c2cc(=O)c(OC)c[nH]2)c1 524733918 CZJAXEDGHSWRLG-UHFFFAOYSA-N 331.328 1.004 0 40 EDAB CCOC(=O)[C@@H](N)CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 38600274 WFLNMRHMSASNEO-NSHDSACASA-N 331.409 1.567 0 40 EDAB in-vitro O=C(Nc1cc2c(cn1)CCC2)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 529105718 JKJPFOCRIYACDP-KGLIPLIRSA-N 335.429 1.754 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCC[C@@]2(C1)NC(=O)c1ccccc1O2 72347570 VKNZKZMKOBNJCF-GOSISDBHSA-N 340.383 1.483 0 40 EDAB C[C@H]1CN(C(=O)CNC(=O)c2cc(F)cc(F)c2)C(C)(C)CO1 126735940 FEVDLXDSVJBXFN-JTQLQIEISA-N 326.343 1.721 0 40 EDAB CN(C)C(=O)[C@]1(C)CN(Cc2cnc(-c3ccccc3)nc2)CCO1 72379910 UQBPDKDBLULPKA-IBGZPJMESA-N 340.427 1.823 0 40 EDAB COc1ccc(Oc2nccnc2[C@@H]2CCCN(CC(N)=O)C2)cc1 72361802 QYALZKLALQTMQS-CYBMUJFWSA-N 342.399 1.942 0 40 EDAB C[C@@H](NC(=O)NCc1cccnc1N(C)C)C(=O)Nc1ccccc1 78988641 QFRATWBNRPULKV-CYBMUJFWSA-N 341.415 1.974 0 40 EDAB O=C(NCC12CC3CC(CC(C3)C1)C2)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 35898143 PTQYCZUBYRLQBS-ZSVYHXPESA-N 331.412 1.973 0 40 EDAB COC[C@H]1CN(Cc2ccc3nccnc3c2)CCN(C(C)=O)C1 72354499 NXVFPWMBZPSZOP-INIZCTEOSA-N 328.416 1.557 0 40 EDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1cnn(-c2ccccn2)c1 72238908 YTRRORSLSMXIDY-UHFFFAOYSA-N 332.389 1.418 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)Nc3cnn(C)c3)CC2)s1 79511179 SHHBVYCWBJBOFZ-UHFFFAOYSA-N 333.417 1.780 0 40 EDAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(Cl)c1 218412814 VXJOXLVIIQPCPT-SGMGOOAPSA-N 331.821 1.501 0 40 EDAB Cn1ncc(NCCc2nccn2C(F)F)c(Br)c1=O 79034968 BPSLNFJMABTSFB-UHFFFAOYSA-N 348.151 1.789 0 40 EDAB CC(=O)N1CCO[C@@H](c2cc(NCc3ccccn3)nc(C)n2)C1 72387142 XALOAQFNJKLBPG-MRXNPFEDSA-N 327.388 1.712 0 40 EDAB COc1ccc2c(c1)C[C@@H](C(=O)N1[C@H]3CC[C@H]1[C@H](C(=O)O)C3)CO2 566301012 LIAIXSKIKKMBDJ-OSRDXIQISA-N 331.368 1.710 0 40 EDAB CC(C)CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 45969702 RQIVMNBKXQADHG-UHFFFAOYSA-N 349.250 1.500 0 40 EDAB O=C(/C=C\c1ccc(O)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)O 49601481 LEEDEKWKJVUWGA-AVFOEOQDSA-N 327.336 1.923 0 40 EDAB biogenic,in-vitro CCc1ccc(C(=O)NCc2nccc(N3CCOCC3)n2)cc1 224169879 YOLROWALXVOBOJ-UHFFFAOYSA-N 326.400 1.806 0 40 EDAB CC(C)(C(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccccc1 96420592 ZGHRYTAVIKPPPN-UHFFFAOYSA-N 335.429 1.844 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2nccs2)Cc2cncn2C1 96209189 KEVSDVRGSWORRE-CYBMUJFWSA-N 349.460 1.076 0 40 EDAB O=C([C@H]1CCCO1)N1CC[C@]2(c3ccccc3)CN(CCO)C[C@@H]2C1 96083365 HVFBFULGUBJFTC-QWFCFKBJSA-N 344.455 1.260 0 40 EDAB Cn1nnc2c1CCN(C(=O)c1cccnc1)[C@@H]2COCC1CC1 96045277 OIINLJIUSJBKBA-OAHLLOKOSA-N 327.388 1.376 0 40 EDAB O=C(COn1nnc2ccccc21)NCCc1c(F)cccc1F 96428809 JVVXZQSBHRRELH-UHFFFAOYSA-N 332.310 1.497 0 40 EDAB O=C(NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1)c1cnccn1 96269322 CVWWJYHJISZMTA-AWEZNQCLSA-N 335.367 1.669 0 40 EDAB biogenic,in-vitro O=C(NCC1(N2CCOCC2)CCCC1)[C@@H]1COc2ccccc21 96449779 MVUNRFIYIXSWSF-MRXNPFEDSA-N 330.428 1.924 0 40 EDAB COCCNc1ccnc([C@@H]2COCCN2C(=O)C2=CCCCC2)n1 96219542 IBQVWYXQCFDZTD-HNNXBMFYSA-N 346.431 1.935 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)N1CCCC1)C2 96238225 WRYWWVUQFXGBTH-QGZVFWFLSA-N 348.472 1.687 0 40 EDAB CN(C)CCN1CCOC[C@]2(C1)CN(Cc1cccs1)CCO2 96049772 UXOVFFIUPNLMJI-KRWDZBQOSA-N 339.505 1.213 0 40 EDAB O=C(c1ccsc1)N1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 96249740 VKGNMRWSNIMNCC-UKRRQHHQSA-N 344.440 1.906 0 40 EDAB O=C1CCCN1C[C@@H]1CCC[C@]2(CCN(S(=O)(=O)C3CC3)C2)O1 96206712 UYBGZCYBHDJZJL-XJKSGUPXSA-N 342.461 1.115 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@@H]12)NCC1CC1 96040820 QHMQBEQVTBQBET-KURKYZTESA-N 329.444 1.692 0 40 EDAB COc1ccc(N2C[C@]3(CCN(C(=O)[C@H]4CCCO4)C3)CC2=O)cc1 96239008 RCGCLOWJRIGUCS-VQIMIIECSA-N 344.411 1.830 0 40 EDAB COc1ncnc2c1CN(C[C@@H](O)COc1cccc(C)c1)CC2 97200464 JBVLOQPBUHSABG-CQSZACIVSA-N 329.400 1.592 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCCN(C)C1 96502169 YZDRRJGDECGKEQ-HNNXBMFYSA-N 342.509 1.776 0 40 EDAB CN(C)CC(=O)N1CCc2c(nnn2C)[C@@H]1COCc1ccccc1 96045326 NYXAMGVXLHPTGN-INIZCTEOSA-N 343.431 1.019 0 40 EDAB Cn1c(CNC(=O)c2ccc(-n3cnnn3)cc2)nc2ccccc21 96231472 VMCKBRNDSWLOCJ-UHFFFAOYSA-N 333.355 1.479 0 40 EDAB COC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)c1cccnc1)C2 96039126 DFOPDDCIEADWBR-CABCVRRESA-N 326.418 1.288 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1 96365252 SBUPGLOTEUMANQ-AWEZNQCLSA-N 345.486 1.792 0 40 EDAB c1cnc(N2CCOC[C@@]3(CCCN(CC4CCOCC4)C3)C2)nc1 96049528 HQHBAKLJVVGNBA-LJQANCHMSA-N 346.475 1.822 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2C(=O)[C@H]2CCOC2)N1Cc1ccncc1 96186406 ILWNRFJMEAECDF-JYJNAYRXSA-N 329.400 1.210 0 40 EDAB CN(C)c1ncnc2c1CCN(C(=O)Cc1ccc(F)cc1)CC2 96255431 IDEJCIISCXQHBX-UHFFFAOYSA-N 328.391 1.852 0 40 EDAB Cc1cc(NC(=O)[C@H](C)[S@@](=O)c2nnc(C(C)C)n2C)on1 96450268 SSXWRERXXWZCMA-AUADJRAKSA-N 325.394 1.370 0 40 EDAB CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)c1cnn(C)c1Br 583651383 KUQUDRKTUPJWSO-DTWKUNHWSA-N 336.255 1.992 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)Cc2cccnc2)n1 257215398 CPYOCAWPYBVXOG-INIZCTEOSA-N 339.399 1.414 0 40 EDAB O=C(CCCn1cccn1)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257269031 MOGSWODUHYLXKE-JFIYKMOQSA-N 334.464 1.547 0 40 EDAB Cc1nc(C[C@@H]2CCCN(c3ccc(F)cn3)C2)cc(C(N)=O)n1 257333443 YBOTXKPCPJIZCE-LBPRGKRZSA-N 329.379 1.877 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)NCCOC)[C@@H]1c1ccccc1OC 257317403 VJPXVQVQNSNBSE-PBHICJAKSA-N 334.416 1.757 0 40 EDAB CCn1cc(CN2CCCC[C@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257313373 USCTUSTYXGUXLK-ZDUSSCGKSA-N 337.449 1.757 0 40 EDAB CN(C)C(=O)[C@]1(C)CN(Cc2c[nH]nc2-c2cccs2)CCO1 257212924 CFLGONMUQNVEFH-INIZCTEOSA-N 334.445 1.817 0 40 EDAB CN([C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1ccccc1F 257313561 UTESBURCFXIFOR-IIAWOOMASA-N 342.436 1.434 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCO[C@@H](c2nccnc2N)C1 257266092 MBNRZPMJCBGCQM-CYBMUJFWSA-N 331.376 1.196 0 40 EDAB CO[C@@H](C)CS(=O)(=O)Nc1c(C(=O)OC(C)(C)C)cnn1C 585129246 CNDIPNDCJMOCJD-VIFPVBQESA-N 333.410 1.152 0 40 EDAB O=S(=O)(NCc1ccc(OCC(F)(F)F)nn1)c1cccnc1 585139378 QGMQRDREPYYMSJ-UHFFFAOYSA-N 348.306 1.291 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1 257204521 AUZWXIJIMPLVMF-OAHLLOKOSA-N 341.415 1.573 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)CN2CCC(C)CC2)n1 257308819 TYGNGNUMHCDICC-HNNXBMFYSA-N 347.463 1.459 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)CCCn2ccnc2)CCO1 257323351 WJUJJOSZIVIGIZ-ZDUSSCGKSA-N 330.392 1.095 0 40 EDAB C[C@]1(O)CN(C(=O)c2cnccn2)CC[C@@H]1Oc1cccc(F)c1 257288715 PVHAWRSBYSZVMI-RDJZCZTQSA-N 331.347 1.660 0 40 EDAB C[C@H]1CCCCN1c1nc(O)c2c(n1)CN(C[C@H]1CCOC1)CC2 257275659 NQHQXPDNBXGVBL-UONOGXRCSA-N 332.448 1.956 0 40 EDAB O=C(Cn1cccn1)NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O 85467454 CJQJNSAZXPILJU-MRXNPFEDSA-N 344.390 1.372 0 40 EDAB COC(=O)[C@H]1CCn2c(nnc2CN2CCCc3ccccc32)C1 601043805 BVJFONCUPWWPPN-AWEZNQCLSA-N 326.400 1.966 0 40 EDAB COCc1nc(C(=O)NC[C@H]2OCCc3sc(F)cc32)no1 1615578511 LSWOXUPXOCCXFE-MRVPVSSYSA-N 327.337 1.460 0 40 EDAB COC(=O)[C@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)Cc2ccccc21 599505519 RDIXRFRVXRTCFD-DOMZBBRYSA-N 338.429 1.345 0 40 EDAB CCn1cc(-c2noc(CNC(=O)c3sc(C)nc3C)n2)cn1 390832527 ZZHKEQWCVZFJSD-UHFFFAOYSA-N 332.389 1.956 0 40 EDAB O=C(Cc1ccc(F)cc1)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 47635888 ZZAJKZFDCPXPKQ-RDJZCZTQSA-N 336.407 1.222 0 40 EDAB Cn1ccc(CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1=O 51200685 DOXWVKMJGLJVOO-UHFFFAOYSA-N 343.402 1.411 0 40 EDAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)N1CCC[C@@H]1CO 58245399 ZBIVBYYEPJJOFM-CQSZACIVSA-N 328.376 1.664 0 40 EDAB O=C1[C@H](NC[C@@H]2CNc3ccnn3C2)CCN1Cc1ccccc1 58345366 XQCUHFAYEPSFEB-HZPDHXFCSA-N 325.416 1.316 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)Cc2ccc(OC(F)(F)F)cc2)C1 69620329 DRTOAWBSRZSSNR-CYBMUJFWSA-N 345.365 1.490 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)[C@H]1COc3ccccc3O1)C2 69970013 FKEVCFDDJMZYOJ-MRXNPFEDSA-N 340.383 1.633 0 40 EDAB CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1c[nH]c2ccccc12 72283875 DIIFRKZBHRUDTR-INIZCTEOSA-N 340.383 1.724 0 40 EDAB C/C=C1\C=C(C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 1559538515 UAYZNOYHWPOXJQ-JJEOMGMZSA-N 333.384 1.113 0 40 EDAB Cc1noc(C)c1C(=O)OCC(=O)NC[C@@H]1COc2ccccc2O1 5216717 OEFNGTKIHSYWHT-GFCCVEGCSA-N 346.339 1.404 0 40 EDAB O=C(N[C@H](CO)C(=O)OCc1ccccc1)OCCc1ccccn1 5582124 DDWHHFRJUDVTPA-MRXNPFEDSA-N 344.367 1.455 0 40 EDAB CCOC(=O)C(Sc1nnnn1-c1ccccc1)C(=O)OCC 5795803 QLBCKFOAPYWPLX-UHFFFAOYSA-N 336.373 1.249 0 40 EDAB CN(C)c1nc(O)cc([C@H]2CCN(C(=O)Cc3ccccn3)C2)n1 12134652 IOBFMDCVQLHVRY-LBPRGKRZSA-N 327.388 1.202 0 40 EDAB Cc1nonc1CC(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2 12145756 WHAWEPVOPWZRGE-UHFFFAOYSA-N 341.371 1.095 0 40 EDAB CCn1ccnc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 12444561 OMHXQIILUXSYAS-UHFFFAOYSA-N 328.372 1.594 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 12496139 ZMQYZPMMYXYTHK-NRTGNBEESA-N 344.411 1.582 0 40 EDAB Cc1cccc2c(=O)c(NC(=O)NCCN3CCOCC3)c[nH]c12 13565883 ZAWJOXMHAWFXBY-UHFFFAOYSA-N 330.388 1.290 0 40 EDAB C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)C[C@@H](C)O1 17326986 IIMCQTOLOCGURG-RKDXNWHRSA-N 345.193 1.408 0 40 EDAB CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(OC)c(C)c1 19929572 SXDZGDBNSXNVSE-UHFFFAOYSA-N 342.461 1.929 0 40 EDAB CCc1ccc(S(=O)(=O)NCCc2cccnc2)cc1C(=O)O 152952555 PKURKGTVXUTIAP-UHFFFAOYSA-N 334.397 1.863 0 40 EDAB O=C(c1cc2n(n1)CCCC2)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 225602516 MAJSVLKJJPSUNO-HNNXBMFYSA-N 342.443 1.860 0 40 EDAB C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccco1 8155568 XLHNVVHXYZZZMU-JTQLQIEISA-N 334.353 1.302 0 40 EDAB CCc1ncnc(N2C[C@@H]3CN(c4ncncc4F)C[C@@H]3C2)c1F 1888853457 DARZLZSHJNAPJW-PHIMTYICSA-N 332.358 1.680 0 40 EDAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)c2cnccn2)C3)nc1 1888873354 LNTQZILBCZUBRV-KSSFIOAISA-N 339.399 1.896 0 40 EDAB O=C1CN(NC(=O)c2ccc(CSc3ccccc3)o2)C(=O)N1 29020136 ZNIZQIYQMRXODL-UHFFFAOYSA-N 331.353 1.769 0 40 EDAB COc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)c2)cc1F 30356025 KVKUJNJUANBACL-UHFFFAOYSA-N 339.392 1.774 0 40 EDAB O=C(C1CC(F)(F)C1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 1614939619 URWWFBYNPHAUKH-LLVKDONJSA-N 336.346 1.179 0 40 EDAB Cc1ccc(-n2ncc3c(=O)nc(SCC(=O)O)[nH]c32)cc1C 429075 ZRGXSUQTMJKUJA-UHFFFAOYSA-N 330.369 1.902 0 40 EDAB COc1cccc(NC(=O)CSc2nc(O)c3c[nH]nc3n2)c1 4249602 DHXUGEVGVNHURI-UHFFFAOYSA-N 331.357 1.798 0 40 EDAB CC(=O)N[C@@]1(C(F)(F)F)NC(=O)N([C@@H](C)c2ccccc2)C1=O 4686612 KPASCKZYGIULJW-ISVAXAHUSA-N 329.278 1.694 0 40 EDAB CC(C)(C)NC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 12069458 AFYMNCRXZOSAIF-UHFFFAOYSA-N 346.475 1.230 0 40 EDAB Cc1ccc(-c2cc(=O)n(CC(=O)NCc3cccnc3)cn2)cc1 13806688 NDJNGFJKXMBOFF-UHFFFAOYSA-N 334.379 1.930 0 40 EDAB O=S(=O)(c1cccnc1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575612278 KXRDQFDQBBYILT-NSHDSACASA-N 340.792 1.367 0 40 EDAB O=c1ccc(-c2ccncc2)nn1CC1CCN([C@H]2CC[C@H]2O)CC1 585503586 SYYHXJCPSRMIDQ-ZWKOTPCHSA-N 340.427 1.541 0 40 EDAB CC(=O)c1c[nH]c(C(=O)N2CCN(Cc3csc(C)n3)CC2)c1 31260338 LYOBMQJBGVAVHJ-UHFFFAOYSA-N 332.429 1.940 0 40 EDAB COCc1cccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 40542761 DGPKEKRXLOMNTG-CQSZACIVSA-N 340.445 1.234 0 40 EDAB CN(CCCNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)S(C)(=O)=O 40515408 GNTDIXKQBMKUID-CYBMUJFWSA-N 346.836 1.041 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)c3cnccn3)cn2)C[C@@H](C)O1 40529374 KPDFMXSSXNJSGI-CHWSQXEVSA-N 327.388 1.415 0 40 EDAB Cc1nc2sc3c(c2c2nc(OCC(N)=O)nn12)CC(C)(C)OC3 32093142 WMFBLZVQLDLHFF-UHFFFAOYSA-N 347.400 1.363 0 40 EDAB C[C@@H]1CCCN(C(=O)C2CCN(CN3C(=O)[C@H]4C=C[C@H]3C4)CC2)C1 101231629 XDFKKGLTFMDFIC-PVAVHDDUSA-N 331.460 1.701 0 40 EDAB O=c1cc(CN2CCC[C@@H]2c2noc(C3CC3)n2)[nH]c2ccnn12 101306218 XMVJHUZQUSUOJK-GFCCVEGCSA-N 326.360 1.620 0 40 EDAB CCN1CC[C@H](CNC(=O)c2ccc(-n3nc(C)cc3C)nc2)C1 101689315 DKVBRECODUQNHF-OAHLLOKOSA-N 327.432 1.956 0 40 EDAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(=O)N(Cc2ccco2)C1 21291864 HWGDBAXRGRYRRC-JTQLQIEISA-N 332.385 1.996 0 40 EDAB Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(N(C)C)nc2)c1C 46319025 GCADYYHCIFKJFE-UHFFFAOYSA-N 348.428 1.664 0 40 EDAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCCC2 8774697 SZYAROURJQGCEQ-AWEZNQCLSA-N 343.470 1.373 0 40 EDAB COc1ccccc1NC(=O)COC(=O)CNC(=O)C1CCCCC1 2623274 JXVRAHXKEODFHH-UHFFFAOYSA-N 348.399 1.873 0 40 EDAB CCCOc1ccc2c(c1)OCC(C(=O)N1CC[C@H](C(N)=O)C1)=C2 41129263 WITFTKVOOSSFIB-ZDUSSCGKSA-N 330.384 1.585 0 40 EDAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3594697 BWGUHLRUDOQZAP-XIKOKIGWSA-N 329.400 1.685 0 40 EDAB Cc1ccc(-n2nc(CO)c(C(=O)NC[C@@H]3CCCO3)n2)cc1C 21783363 CGETWPCQTYDVMN-AWEZNQCLSA-N 330.388 1.285 0 40 EDAB CN(CC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)CC1OCCO1 4994898 FRTDQSQZPWWSGK-UHFFFAOYSA-N 347.390 1.496 0 40 EDAB CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 7311027 LMIIFMQAAFRRAV-UHFFFAOYSA-N 326.418 1.156 0 40 EDAB CC(C)Cn1ncnc1CN1C(=O)N[C@H](Cc2ccccc2)C1=O 97047876 NNLSUVDLENANFK-CQSZACIVSA-N 327.388 1.597 0 40 EDAB COc1ccc([C@H](O)CN2CCC(NC(=O)C3CC3)CC2)cc1F 52827882 JHJXFTWDGAGLBC-MRXNPFEDSA-N 336.407 1.858 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCC[C@@H](CC(N)=O)C1 95405954 XKFFVGPFVJMMRJ-RISCZKNCSA-N 335.452 1.265 0 40 EDAB COc1cc([C@H]2C=C(C(=O)O)Nc3nc(C)nn32)cc(OC)c1OC 12408110 QOTBMFCMCOPGQZ-LLVKDONJSA-N 346.343 1.596 0 40 EDAB Cc1cc(CN2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)no1 22799002 HQLPREAKQIQGLV-MRXNPFEDSA-N 342.443 1.978 0 40 EDAB NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(OCC(F)(F)F)cc1 97083148 DINGQSXCNFGWIH-LBPRGKRZSA-N 330.306 1.647 0 40 EDAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ncnc3nc[nH]c23)cc1O 9953248 BYJDLTNOBCYJJE-SECBINFHSA-N 341.327 1.551 0 40 EDAB C[C@H]1CN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 23991072 YXZWUOPZWYXYAE-WPUBBZCQSA-N 349.475 1.890 0 40 EDAB Cc1ccc(C(=O)NC2(C(=O)O)CCCCC2)cc1S(C)(=O)=O 95350840 SSMPREZMIMXTFH-UHFFFAOYSA-N 339.413 1.916 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 107057737 SBOISQLCNWXIQB-LTIDMASMSA-N 340.464 1.140 0 40 EDAB COC(=O)CN(C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 95381679 HDPXDHBUUZIYEZ-ZDUSSCGKSA-N 345.355 1.655 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 107721564 ZWBXEFGWOMUNJY-OKZBNKHCSA-N 346.427 1.783 0 40 EDAB CCc1ncncc1C(=O)NCCNC(=O)c1ccc(C)c(F)c1 44468867 YPVDGBQIJFIREI-UHFFFAOYSA-N 330.363 1.646 0 40 EDAB COc1ccc([C@H](CNC(=O)[C@H]2COCCO2)N2CCCCC2)cc1 48079769 VYBFHLCUOSGVGC-ZWKOTPCHSA-N 348.443 1.754 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccccc2O)c1 25124904 JNCKNGREURQLDX-UHFFFAOYSA-N 348.424 1.717 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)c1cccc2[nH]ncc12 58283418 PLBINZHDIXIGTK-LBPRGKRZSA-N 340.305 1.846 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1F)C(=O)NC1CCCC1 58266576 KQHBLVAMVLBEMW-VIFPVBQESA-N 332.372 1.690 0 40 EDAB COc1ccc(CCNC(=O)CSC(=S)N(C)C)cc1OC 2178962 JHASKDSHXYPEJR-UHFFFAOYSA-N 342.486 1.942 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cnccn3)CC2)c1 3325675 LHKVNCVONSIVAE-UHFFFAOYSA-N 332.429 1.604 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1 44934814 ZMWZVYCILVDYFF-JTQLQIEISA-N 342.325 1.437 0 40 EDAB COCc1cccc(NC(=O)NCCCN(C)S(C)(=O)=O)c1 44935746 SAZCCZWVQTUZTD-UHFFFAOYSA-N 329.422 1.236 0 40 EDAB Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)no1 44916599 UKZOKDBAGIYNTM-CYBMUJFWSA-N 328.372 1.385 0 40 EDAB Cn1c(=O)n(CC(=O)N[C@H]2CCN3CCCC[C@H]23)c2ccccc21 44942052 TXNDNGJBDPETFR-UONOGXRCSA-N 328.416 1.083 0 40 EDAB Cc1nc2ccccn2c1Cn1nnc(-c2ccc(C(N)=O)cc2)n1 76040650 ZBSAVDGAESFSOM-UHFFFAOYSA-N 333.355 1.443 0 40 EDAB CCOCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 58393892 KYHLVTQJDDLHHG-LLVKDONJSA-N 332.447 1.054 0 40 EDAB Cc1ccc(N2CC[C@H](N3CCO[C@H](c4nc(C)n[nH]4)C3)C2=O)cc1 76048338 BMLDMNAKFOKZAB-HOTGVXAUSA-N 341.415 1.600 0 40 EDAB CCN1C(=O)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O 12736595 NSGNIZNXKXDWEV-UHFFFAOYSA-N 338.747 1.812 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 48324832 RIUUPOAKKPROEW-INIZCTEOSA-N 341.411 1.790 0 40 EDAB Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 78182644 SSKRLCZQUGVDAG-UONOGXRCSA-N 329.400 1.641 0 40 EDAB CNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3514975 NOYITDUOSKRRKI-UHFFFAOYSA-N 327.340 1.336 0 40 EDAB CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)C1 71186428 LOWJFQXINNRNDK-WBVHZDCISA-N 343.427 1.481 0 40 EDAB Cn1ccc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)n1 64486894 HPWUVPYAKDGNJW-UHFFFAOYSA-N 328.781 1.697 0 40 EDAB CCNC(=O)c1nnc2n1CCN(C(=O)C1CC1)[C@H]2c1ccccc1 306143344 XZSMOZQHOPDLPM-AWEZNQCLSA-N 339.399 1.369 0 40 EDAB COc1cc2c(=O)n(C(C)C)c(=O)n(CCN(C)C)c2cc1OC 71280805 YIVHATMDZSSTSX-UHFFFAOYSA-N 335.404 1.323 0 40 EDAB CCOc1ccc([C@@H](C)NC(=O)Nc2cnn(CC(N)=O)c2)cc1 65440263 SFSBPOKVMDZVIP-LLVKDONJSA-N 331.376 1.650 0 40 EDAB Cc1cc(CNC(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)no1 65523625 SVMPVVHRTXTKPD-UHFFFAOYSA-N 343.387 1.424 0 40 EDAB O=S(=O)(Nc1ccc(Cl)nc1)c1cccc(-n2cnnn2)c1 65513346 XZYZTFNYUGHBLL-UHFFFAOYSA-N 336.764 1.512 0 40 EDAB COc1ccc(Nc2nc(N3CCOCC3)nc3c2cnn3C)cc1 9273292 IZFDDXSOJXCNEI-UHFFFAOYSA-N 340.387 1.952 0 40 EDAB C[C@H](OC(=O)c1cc(Br)ccc1O)C(=O)NC1CC1 5743343 FZNBWUUJCKJVCD-ZETCQYMHSA-N 328.162 1.979 0 40 EDAB CCN(C1CCN(Cc2occc2C(=O)OC)CC1)S(C)(=O)=O 66883817 VDHBKQIKFZGSPJ-UHFFFAOYSA-N 344.433 1.312 0 40 EDAB COc1ccc2c(C)c(CCC(=O)Nn3cnnc3)c(=O)oc2c1 9306094 NIDLCCKDROYZIA-UHFFFAOYSA-N 328.328 1.404 0 40 EDAB O=c1c2cnc(N3CCCC3)nc2nc(O)n1-c1cccc(F)c1 67264284 FNKWDTLGBUVCHD-UHFFFAOYSA-N 327.319 1.621 0 40 EDAB COc1cc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C)ccc1O 9486271 BNFCRDOWLALXBO-SUMWQHHRSA-N 349.408 1.680 0 40 EDAB CC(=O)Nc1ccc(CC(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 7511018 LCXDDGRTGLDELE-STQMWFEESA-N 348.399 1.367 0 40 EDAB Cn1cc([C@H]2CCCN2CC2=NS(=O)(=O)c3ccccc3N2)cn1 71797172 RKDFBNUQNFJBKH-CQSZACIVSA-N 345.428 1.770 0 40 EDAB c1ccc(Cn2cncn2)c(CNc2cncc(-n3cccn3)n2)c1 71792427 GQYSESKXICKGEO-UHFFFAOYSA-N 332.371 1.914 0 40 EDAB CS(=O)(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 16438827 HRVSSNWGOPPSRV-UHFFFAOYSA-N 328.825 1.065 0 40 EDAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C 71835214 MDYNJQVALPUTRQ-GJZGRUSLSA-N 341.411 1.608 0 40 EDAB CN(CCn1cccn1)C(=O)NCc1ccc(Cn2cccn2)cc1 71897594 GQYLLJZHJWTBKS-UHFFFAOYSA-N 338.415 1.970 0 40 EDAB Cn1ccnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCO2 8458717 BUKGBFGCTDSMRH-UHFFFAOYSA-N 334.357 1.589 0 40 EDAB CC(C)(CNC(=O)c1cccc(N2CCCC2=O)c1)N1CCOCC1 71854193 ZKBZTBJUXCCPQF-UHFFFAOYSA-N 345.443 1.654 0 40 EDAB CC(C)N(C)C(=O)CSCc1ccc(S(=O)(=O)N(C)C)o1 69570601 GHWILMDCKWNJII-UHFFFAOYSA-N 334.463 1.630 0 40 EDAB O=C(NC1CCC(C(=O)N2CCSCC2)CC1)c1cccnc1 69527652 FIVBSMFODPLIJQ-UHFFFAOYSA-N 333.457 1.946 0 40 EDAB Cn1cc(CN2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)cn1 306143036 XRKWTEBALSPFLJ-DLBZAZTESA-N 331.420 1.067 0 40 EDAB OC1CCN(Cc2nnnn2-c2ccccc2Br)CC1 69531239 KUOVZENCLDBRHQ-UHFFFAOYSA-N 338.209 1.382 0 40 EDAB CNC(=O)COc1ccccc1CNCC[S@@](=O)c1ccccc1 69633018 XXWURVRKTPRLCN-DEOSSOPVSA-N 346.452 1.709 0 40 EDAB C[C@@H](c1cccc(F)c1)S(=O)(=O)CC(=O)NC[C@H]1CCCO1 69620789 HNSOKYZMLNJXJW-SMDDNHRTSA-N 329.393 1.597 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(Cc2nnc(-c3ccc(F)cc3)o2)C1 71841151 LEXPGIKOKAZKLD-CQSZACIVSA-N 345.378 1.865 0 40 EDAB CCS(=O)(=O)NCCNC(=O)N(Cc1ccc(C)s1)C(C)C 69776349 DBYVDHNUBORIDL-UHFFFAOYSA-N 347.506 1.916 0 40 EDAB Cc1csc(N2CCN([C@@H](C)C(=O)Nc3ncccn3)C[C@@H]2C)n1 69871272 FBOUGAWCTIDFMJ-STQMWFEESA-N 346.460 1.779 0 40 EDAB COC[C@@H](C)N1CCN(C(=O)[C@@H](C)NC(=O)c2cccs2)CC1 69810713 YWTUQWLKHMFQGN-CHWSQXEVSA-N 339.461 1.046 0 40 EDAB Cc1cc(C)n(C[C@H](C)NC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 69813699 CKIYTFAOKBIPPF-ZDUSSCGKSA-N 349.456 1.863 0 40 EDAB COCCN(CC(=O)N1C[C@H](C)OCC1(C)C)C(=O)OC(C)(C)C 95459610 FCCJXEVGEIJPMZ-ZDUSSCGKSA-N 344.452 1.896 0 40 EDAB CSCc1ccnc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1 71911130 AMXBNJNNVPEFPP-GFCCVEGCSA-N 343.474 1.697 0 40 EDAB COC(=O)c1c(C)cccc1NS(=O)(=O)c1c(C)nn(C)c1C 9606218 ISRQZXRPPZHXCY-UHFFFAOYSA-N 337.401 1.933 0 40 EDAB COc1cccc(C(=O)NC[C@@H](O)COCC2CC2)c1OC(F)F 83975845 NLEXVMHLKLGBBU-LLVKDONJSA-N 345.342 1.814 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CCC[C@H]1C(N)=O 78879343 ZJMOSTWNPYIBJY-HZPDHXFCSA-N 334.464 1.859 0 40 EDAB Cc1noc([C@@H](C)NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)n1 95951123 AVKNZCXTNMCBCH-SECBINFHSA-N 329.360 1.748 0 40 EDAB CC(=O)N(CCc1ccccc1)CC(=O)N[C@@H]1CCC2(C1)OCCO2 95991380 MXTHVKXTRQSVKW-QGZVFWFLSA-N 346.427 1.489 0 40 EDAB COc1ccccc1CN(Cc1cccs1)C(=O)[C@H]1CNC(=O)N1 89473650 GEOKNTRHSVIFLK-CQSZACIVSA-N 345.424 1.967 0 40 EDAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1cnc(N2CCCC2)nc1 89949104 QJUPUMFYTNMQSO-DLBZAZTESA-N 331.464 1.813 0 40 EDAB O=C(NCC[C@H]1CCOC12CN(C(=O)C1CCC1)C2)c1cccnc1 306124441 BPRUOIAFMGZDFV-INIZCTEOSA-N 343.427 1.619 0 40 EDAB Cc1cc(=NC(=O)N=c2ncn(C(C)(C)C)[nH]2)[nH]n1[C@H](C)C1CC1 547847991 ITQDPJPJVAIJHJ-LLVKDONJSA-N 331.424 1.997 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OC)cc1 1471236 JFOIPCAAQHAVQO-ZDUSSCGKSA-N 343.335 1.824 0 40 EDAB biogenic O=C(Cc1cccnc1)N1CC2(CCN(C(=O)c3ccccc3)C2)C1 1018943830 MICCOVWINBNAMN-UHFFFAOYSA-N 335.407 1.999 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccsc4)[C@H]3C2)no1 306133824 MXGJHZISDPHIGC-NUEKZKHPSA-N 347.440 1.921 0 40 EDAB Cc1cc(CN2CCn3cc(CC(=O)NC(C)C)nc3[C@H]2C)n(C)n1 306144636 ZKNSFILBJWUCLW-CQSZACIVSA-N 344.463 1.569 0 40 EDAB CN1CCN([C@H](C(=O)O)c2cn(CC(=O)O)c3cc(F)ccc23)CC1 36354396 LRAKTYUMEXGUKW-INIZCTEOSA-N 349.362 1.238 0 40 EDAB CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCN(C)C2)cc1 79682524 NVCLFSJFNWUXHO-INIZCTEOSA-N 329.444 1.951 0 40 EDAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CC1 217468294 QZEQOSLIQDJXNL-UHFFFAOYSA-N 328.390 1.274 0 40 EDAB CC(C)n1nccc1C(=O)N(C)C1CCN(CCn2cccn2)CC1 122168644 XLRASBJRPSUXFE-UHFFFAOYSA-N 344.463 1.897 0 40 EDAB COc1cc(OC)c2[nH]c(C(=O)N3CCN(C(C)=O)CC3)cc2c1 32906229 RLCVUQURBBGCAI-UHFFFAOYSA-N 331.372 1.489 0 40 EDAB CC(C)CNc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O 217592440 PAZUULPSBLLMDP-UHFFFAOYSA-N 330.406 1.113 0 40 EDAB CN1C(=O)C[C@@H](CNCc2cn3ccccc3n2)[C@@H]1c1nccn1C 561303339 COIJCNJNMGRCPD-SUMWQHHRSA-N 338.415 1.377 0 40 EDAB COc1ccc2cc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)cnc2c1 72247506 ZBNPPOGMFFXAQT-HNNXBMFYSA-N 349.412 1.606 0 40 EDAB Cc1cc(C)nc(N2CCC[C@@H](c3ncncc3S(C)(=O)=O)C2)n1 72369154 NVXCECCZAJHOPY-CYBMUJFWSA-N 347.444 1.671 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@H]1COc2ccccc2C1=O 128846294 PKPQDYHTXHVIEY-BZNIZROVSA-N 341.411 1.976 0 40 EDAB O=C(NCCC1CCS(=O)(=O)CC1)N1CC[C@@H](n2cccn2)C1 562285423 AQUNXTJAWXITSX-CQSZACIVSA-N 340.449 1.054 0 40 EDAB NC(=O)C1CCN(C(=O)c2ccc(Oc3ncccn3)cc2)CC1 70655610 SXPTVQSWYVXJDJ-UHFFFAOYSA-N 326.356 1.606 0 40 EDAB COc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)CN)C2)n1 72363204 RCTLZSHCEFVSTF-CYBMUJFWSA-N 342.399 1.942 0 40 EDAB CN1CCC[C@@H](Cc2cncc(C(=O)N3CCC(C(N)=O)CC3)c2)C1 72365914 GNSHACXRBZYLRH-AWEZNQCLSA-N 344.459 1.303 0 40 EDAB Cn1nc(C(=O)NCc2cccnc2)cc1NC(=O)c1ccccc1 40761733 YZZAQEHJWIIJTK-UHFFFAOYSA-N 335.367 1.997 0 40 EDAB CN1CCN(C)[C@@H](CNC(=O)c2ccc(F)c(COCC3CC3)c2)C1 195531091 MIPQVNINMJUONF-KRWDZBQOSA-N 349.450 1.728 0 40 EDAB Cc1sc2nc([C@H](C)N3CCC(O)(C(N)=O)CC3)nc(N)c2c1C 573382963 BBGNZHIQCCSANY-VIFPVBQESA-N 349.460 1.264 0 40 EDAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccco1 85467703 HOEKOMWJNPBTBM-AWEZNQCLSA-N 331.347 1.785 0 40 EDAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1n[nH]c2ccccc12 44227472 AUGJFLDXEBGXDH-UHFFFAOYSA-N 349.350 1.810 0 40 EDAB Cn1cc(S(=O)(=O)N2CC[C@H](c3ccc4c(c3)OCO4)C2)cn1 225679262 MNTKEYYDOYEXFM-LBPRGKRZSA-N 335.385 1.327 0 40 EDAB O=C1C[C@@]2(CCN(C(=O)c3csc(-c4ccccc4)n3)C2)C(=O)N1 82126787 JFJVPYNOUUDEOM-QGZVFWFLSA-N 341.392 1.689 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)c2cccc(O)c2)C1 195556740 GNQCCUJGZRVNFF-LLVKDONJSA-N 330.306 1.923 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2cccnc2)Cc2ccnn2C1 96189070 TZYZHGNTOGRLDI-INIZCTEOSA-N 343.431 1.015 0 40 EDAB O=C1CCC(=O)N1CC1CN(C(=O)C2(c3ccc(F)cc3)CC2)C1 618254211 PZARGFQUZGZVAM-UHFFFAOYSA-N 330.359 1.465 0 40 EDAB C[C@@]1(C(=O)NCCCN2CCOCC2)CC(c2cccc(F)c2)=NO1 96193015 ZHAXGMZVSIKBOV-SFHVURJKSA-N 349.406 1.547 0 40 EDAB O=C(NCCO)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1 96038097 KUKSJJFARXJBPY-UHFFFAOYSA-N 347.378 1.909 0 40 EDAB CCOc1c(F)cccc1C(=O)N1CCC[C@](O)(c2cnn[nH]2)C1 583618897 BVDXJWXOOXUZBG-MRXNPFEDSA-N 334.351 1.466 0 40 EDAB Cc1c(S(=O)(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)cnn1C 583651696 RFWBDQWUISAZGU-SNVBAGLBSA-N 340.371 1.034 0 40 EDAB CCN1CCCC[C@@H]1C(=O)Nc1cc(Br)c(=O)n(C)c1 96461705 PTSBEABACRUDDC-GFCCVEGCSA-N 342.237 1.961 0 40 EDAB CC(C)[C@@H](C(=O)NC[C@H]1CCCO1)n1nnc2ccccc2c1=O 95477456 GWKTVOXENTUHOR-DOMZBBRYSA-N 330.388 1.284 0 40 EDAB O=C([C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCO1)N1CCCC1 585091587 YNXARBABJFDHSJ-SJORKVTESA-N 328.412 1.741 0 40 EDAB Cc1cc(N2CCC[C@](O)(CN(C)C)C2)nc(-c2ccccn2)n1 585092181 IONTWUKLPMYLMK-SFHVURJKSA-N 327.432 1.740 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(Cc2nn[nH]n2)c1 585087916 BFAPXYPUVILSNF-AWEZNQCLSA-N 342.403 1.520 0 40 EDAB O=C(NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@@H]1CCOC1 96199255 JPGJRDGQJSDUNA-OCCSQVGLSA-N 346.362 1.136 0 40 EDAB O=c1cc(Cn2ccnc2)nc2n1CCCN(Cc1ccco1)C2 96059595 HCEJXEAIXIGPCC-UHFFFAOYSA-N 325.372 1.487 0 40 EDAB 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COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1[nH]ncc1Br 247817403 GQHNVUSDBORATL-AKEJEFCPSA-N 342.193 1.490 0 40 EDAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)Cn2cccn2)ccn1 257302731 SECFIOHQXFLWIM-INIZCTEOSA-N 327.388 1.278 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)c3cccn3C)CCO2)ccn1 257257010 KNRPLQJOLDLZHO-MRXNPFEDSA-N 342.443 1.960 0 40 EDAB Cc1ccn(CCC(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)n1 257291068 QFMSGRNHQNXLSZ-GOSISDBHSA-N 343.431 1.076 0 40 EDAB CCN(C(=O)Nc1ccccc1N1CCN(C)CC1)[C@@H]1COC[C@H]1O 1615055789 PWEBTAGTUPREHG-IAGOWNOFSA-N 348.447 1.052 0 40 EDAB CCCN(CC(=O)NC)S(=O)(=O)c1c(Cl)cc(C)c(O)c1C 1615587905 VKWAKSXUKQVXIO-UHFFFAOYSA-N 348.852 1.809 0 40 EDAB CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 575424956 WIDUOKJTFITTKL-QWHCGFSZSA-N 331.459 1.663 0 40 EDAB O=C(COc1ccccc1F)NCCn1nc(C2CC2)ccc1=O 575609619 XZNYLFDPFKBPOP-UHFFFAOYSA-N 331.347 1.455 0 40 EDAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1cccs1)C2 585103123 RFPVANRDRCSPKA-CYBMUJFWSA-N 344.502 1.668 0 40 EDAB 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COC(=O)Cc1csc(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)n1 65550214 LGJLFHOTZSLFER-MRVPVSSYSA-N 334.419 1.009 0 40 EDAB C[C@H]1CN(C(=O)NCCCS(=O)(=O)c2ccccc2)C[C@@H](C)O1 65592255 YJEUADOMKAKEJS-OKILXGFUSA-N 340.445 1.669 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc1=O 65592196 YVAAOJUGZBAYDW-HNNXBMFYSA-N 345.443 1.686 0 40 EDAB CN1CCc2ncnc(N3CCN(CCc4cccs4)CC3)c2C1 65523269 IDIJCKFYNKVMQV-UHFFFAOYSA-N 343.500 1.891 0 40 EDAB COc1ccc(C(=O)NCCC(=O)NCCCc2cn[nH]c2C)cc1 69873165 NDNFNZHYSQRLGB-UHFFFAOYSA-N 344.415 1.596 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)c1cnn(-c2ccccc2)n1 14199824 MEUSQLMTCGYZIM-UHFFFAOYSA-N 336.351 1.969 0 40 EDAB Cc1noc(N)c1C(=O)OCC(=O)N(CC(F)(F)F)[C@H](C)C1CC1 14236798 KYVSFXBDSFKBMC-MRVPVSSYSA-N 349.309 1.911 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccccn2)CC1)C1CCCCC1 18217897 YROWNFBZXNJIQR-UHFFFAOYSA-N 330.432 1.427 0 40 EDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2ccccn2)CC1 18324266 QWIDOTZGJFZYQO-GJZGRUSLSA-N 326.400 1.112 0 40 EDAB Cc1nnnn1-c1ccc(F)c(NCC(=O)NCc2cccs2)c1 66470089 DJIZDTNBZLAHDO-UHFFFAOYSA-N 346.391 1.900 0 40 EDAB CCCCN(CCO)C[C@H](O)COCc1ccc(OC)c(OC)c1 6938887 UWXYOSWPMILDDH-INIZCTEOSA-N 341.448 1.676 0 40 EDAB CCCn1c(N)c(C(=O)CSCc2ccccc2)c(=O)[nH]c1=O 7451055 XIKBJGDZBGQZIA-UHFFFAOYSA-N 333.413 1.645 0 40 EDAB CC(C)n1nccc1NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 68235644 RWNKYIRHSBUOHR-GFCCVEGCSA-N 340.387 1.741 0 40 EDAB NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 7769981 QLSKYLCHQQXLCF-LBPRGKRZSA-N 327.340 1.366 0 40 EDAB CCOc1ncccc1CNc1cc(N2CCC[C@H]2CO)ncn1 72276070 FWLJPOGDIYJVSN-AWEZNQCLSA-N 329.404 1.844 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)C[C@H]1Oc2ccccc2NC1=O 96232401 SGRYUDAPCSUFMB-CYBMUJFWSA-N 349.387 1.417 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(CC[S@@](=O)c3ccccc3)CCO2)n1 72253506 PQRIIFWEGRRLSN-GYCJOSAFSA-N 348.472 1.404 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)c(C)nn1C 72234333 OZVCHUOSORAJRQ-AWEZNQCLSA-N 340.387 1.986 0 40 EDAB CC[C@@H](CC(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)c1ccc(C)cc1 72291704 MZSCVPHZUZZIGE-UGSOOPFHSA-N 329.400 1.689 0 40 EDAB COc1ccc(OCCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 72269220 FVPDFIZWOGPCAH-QZTJIDSGSA-N 348.443 1.522 0 40 EDAB CC(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1ccc(-n2cnnn2)cc1 96454485 KMPGMUUJICGCDL-PBHICJAKSA-N 329.404 1.382 0 40 EDAB Cc1ccc(NC2CCN(C(=O)CCNc3ncccn3)CC2)nn1 71863545 JEWSZMKPCHUABJ-UHFFFAOYSA-N 341.419 1.480 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2)n1 71856704 NNZDWPHBRSZIAP-RBSFLKMASA-N 349.435 1.130 0 40 EDAB CN(Cc1ccccc1)C[C@H](O)CN1CCCC[C@@H]1Cn1cncn1 71877014 PDBKCNDPMGAUCO-MOPGFXCFSA-N 343.475 1.626 0 40 EDAB CCOc1ccc(C(=O)NCC(=O)NC[C@@H](O)C(CC)CC)cc1 71898201 IULGJNPIDYDMKJ-MRXNPFEDSA-N 336.432 1.728 0 40 EDAB Cn1ncc(C(=O)NCC[S@](=O)c2ccccc2)c1-n1cccc1 71896478 CPMXNRGKRVIKMH-XMMPIXPASA-N 342.424 1.748 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCOC2)cc1)[C@H]1CCCO1 71903660 RIUKELUSYBNERG-SWLSCSKDSA-N 339.413 1.614 0 40 EDAB CC(C)(O)[C@@H]1CCCN1C(=O)NCC[S@@](=O)Cc1ccccc1 97114612 VEXXODJRYIMNTI-WNSKOXEYSA-N 338.473 1.880 0 40 EDAB CC(C)OC(=O)c1cccnc1N1CCN(c2cnn(C)c2)CC1 97140744 YTZOFJPGCZMDDG-UHFFFAOYSA-N 329.404 1.707 0 40 EDAB CC(C)CN1C(=O)N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 9834518 JQAOHHLFFISHBE-OAHLLOKOSA-N 340.376 1.406 0 40 EDAB CC[C@H](C)OCC(=O)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1 97229549 NSXFZICEXKGNPT-FZMZJTMJSA-N 328.434 1.716 0 40 EDAB O=C(NC1CCOCC1)c1sccc1S(=O)(=O)N1CCCC1 79023094 RBAZNUKAHUOGMN-UHFFFAOYSA-N 344.458 1.441 0 40 EDAB CC[C@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@H]1N1CCOCC1 84735902 LQRFRBOZVTZNMU-DOTOQJQBSA-N 334.464 1.576 0 40 EDAB CCOc1ccc2nc(NC(=O)Cn3ncn(C)c3=O)sc2c1 95456861 ZVYQPSJGPOBUSJ-UHFFFAOYSA-N 333.373 1.229 0 40 EDAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC(N(C)C)C1 95462487 LTKPRPHSALKGLX-CQSZACIVSA-N 332.448 1.096 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2N[C@H]1CCCN(c2cnn(C)c2)C1=O 88559947 LGRFMFDNYPRNAL-KGLIPLIRSA-N 343.435 1.194 0 40 EDAB Cc1nc(C(=O)N(CC(=O)O)C2CCOCC2)nn1-c1ccccc1 95970152 WBYKGUWFWHKBNR-UHFFFAOYSA-N 344.371 1.282 0 40 EDAB COc1ccc(CN(C)[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 95962682 VMBOQVNRYFJQLE-INIZCTEOSA-N 328.416 1.974 0 40 EDAB Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2cccn2C)s1 75136836 WDIVFMPYPSCOOM-LLVKDONJSA-N 336.442 1.944 0 40 EDAB COc1cc(NC(=O)[C@H](C)OC)ccc1S(=O)(=O)N1CCCC1 75139500 XYMAFNZTIWDSLV-NSHDSACASA-N 342.417 1.453 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)CCCc2nc3ccccc3[nH]2)CC1 75133724 MEFHYTQTIGHCKG-OAHLLOKOSA-N 344.459 1.801 0 40 EDAB CN(CCNC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 29953693 OSWNBZBJPUATMY-UHFFFAOYSA-N 347.440 1.924 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2cn(C)nc2C)n1 36615112 JHKQOPARHQVRGH-SNVBAGLBSA-N 325.438 1.156 0 40 EDAB Cc1cc(C)n2nc(C(=O)N(C[C@@H]3CCC(=O)N3)C(C)C)cc2n1 67834066 UMBCWCJTINWWRM-ZDUSSCGKSA-N 329.404 1.475 0 40 EDAB O=C(CCSc1nc2c3ccccc3ncn2n1)N1CCOCC1 32815328 MNZSUGFTUVJOSF-UHFFFAOYSA-N 343.412 1.619 0 40 EDAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CO)CO)cc1 218361497 NTXFOYAWWNFLOB-DLBZAZTESA-N 332.421 1.906 0 40 EDAB CN(CS(=O)(=O)c1ccccc1)CS(=O)(=O)c1ccccc1 31795533 HCIUZSGYRXQBLC-UHFFFAOYSA-N 339.438 1.781 0 40 EDAB C[C@@](O)(CNCc1sccc1Br)CN1CCOCC1 185038802 IAPJTKQCBHAOCW-CYBMUJFWSA-N 349.294 1.683 0 40 EDAB NC(=O)c1cccc(C[C@@H]2COCCN(C(=O)c3ccccc3)C2)n1 72382794 TZELVXZTXQAVMI-AWEZNQCLSA-N 339.395 1.512 0 40 EDAB COCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CC1 217440945 FQTKFWBNBFDOJR-UHFFFAOYSA-N 328.390 1.274 0 40 EDAB Cc1cccc([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)n1 72364002 TVBKJOVPTRHUAS-CQSZACIVSA-N 325.434 1.146 0 40 EDAB Cc1csc(Nc2nccnc2[C@H]2CCCN(CC(N)=O)C2)n1 72367837 QJNUKGYSOFVKEI-NSHDSACASA-N 332.433 1.650 0 40 EDAB Cc1cc(C)n(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 44159248 QANNICIZGCSDCO-UHFFFAOYSA-N 337.401 1.250 0 40 EDAB CCCCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1 225957198 QHUSWUNQYPYIEH-OAHLLOKOSA-N 342.461 1.982 0 40 EDAB CCN(C)C[C@H](O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 568882197 WGVBJMHHEZAGOR-ZBEGNZNMSA-N 337.445 1.144 0 40 EDAB CCOc1ccc(NS(=O)(=O)c2n[nH]cc2C(=O)OC)cc1 48991487 HWEKAEDEOFBVIR-UHFFFAOYSA-N 325.346 1.396 0 40 EDAB Cc1cc(S(=O)(=O)NCC(=O)NCc2ccco2)sc1Cl 195578725 UGPWJNDPVINQLT-UHFFFAOYSA-N 348.833 1.898 0 40 EDAB Cn1cnc(S(=O)(=O)NCc2cccnc2-c2ccncc2)c1 225750676 IHGGFDMACVAYNB-UHFFFAOYSA-N 329.385 1.356 0 40 EDAB O=C([C@@H]1Cc2ccccc2CO1)N1CCC[C@H](Oc2cccnn2)C1 225457269 PQNHGOPNVIAAPU-IRXDYDNUSA-N 339.395 1.988 0 40 EDAB CN(C(=O)c1cn(CC2(C)COC2)nn1)c1nc2ccccc2n1C 329742979 PUAWHISLMNZZLN-UHFFFAOYSA-N 340.387 1.478 0 40 EDAB CCOc1ncccc1C(=O)N1CCC[C@H](Oc2cccnn2)C1 225456289 XBZWLQPUYWWBPQ-ZDUSSCGKSA-N 328.372 1.954 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-n2cnnn2)c1 47328477 FCWHQHRUIYTWHL-UHFFFAOYSA-N 343.368 1.666 0 40 EDAB C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1cncnc1-c1ccccc1 330033174 WWAWMLAJIKNVTL-LLVKDONJSA-N 334.401 1.362 0 40 EDAB CCc1ncnc(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)c1F 195547741 YNLKJIPGRCSOJV-CYBMUJFWSA-N 335.427 1.169 0 40 EDAB COc1cc(N2CCc3nc(NC(C)C)nc(N(C)C)c3C2)ncn1 96254040 QUPBCUAEGNYVCI-UHFFFAOYSA-N 343.435 1.724 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)Cn2nc(C)cc2C)cc1 97098703 FDTPKCLOUAYWCO-CQSZACIVSA-N 349.456 1.787 0 40 EDAB Cc1cccc(CN2CCC(NC(=O)N[C@H]3CCN(C)C3=O)CC2)c1 96415240 IAKUQNJKBOZOLJ-KRWDZBQOSA-N 344.459 1.489 0 40 EDAB O=C(C1CCCC1)N1CCn2nnc(COc3ccccn3)c2C1 96084300 FVKSYKATNINJRI-UHFFFAOYSA-N 327.388 1.785 0 40 EDAB O=C1CCCN1C[C@@H]1CN(Cc2ccccn2)Cc2nccn2C1 96188426 CUSRLRAUWNBDON-OAHLLOKOSA-N 325.416 1.533 0 40 EDAB O=C1COC2(CCN(Cc3cccs3)CC2)CN1c1cncnc1 96159138 OTRSXBJKKYAHDV-UHFFFAOYSA-N 344.440 1.936 0 40 EDAB Cc1cc(CN2C[C@H]3OCCN(C(=O)c4ccco4)C[C@H]3C2)no1 96108075 VIDZQHCLDDMGKV-CZUORRHYSA-N 331.372 1.549 0 40 EDAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)c3c[nH]cn3)C2)CC1=O 96239411 WGMLZLITIHVOJA-KRWDZBQOSA-N 343.387 1.279 0 40 EDAB CN(C)CCn1c2c(ccc1=O)C[C@H](NC(=O)c1ccsc1)CC2 96189643 MMGBCCHEUVZPLZ-OAHLLOKOSA-N 345.468 1.759 0 40 EDAB COCC(=O)N1CCC2(CC1)CO[C@@H](COCc1cccnc1)C2 96106150 IJTSDZWMAJVVSQ-MRXNPFEDSA-N 334.416 1.642 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N1CCOCC1 96460342 FWRHLVRVRAHMIK-MRXNPFEDSA-N 329.400 1.781 0 40 EDAB CN1C[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2ncon2)CC1=O 96485605 FJUSOVHEOHESDD-GXFFZTMASA-N 334.763 1.407 0 40 EDAB O=C(N[C@H]1CCC[C@@H]1CO)c1ccc(CN2CCC(CO)CC2)cc1 96487144 OHLBVYUJKNKJSN-MOPGFXCFSA-N 346.471 1.782 0 40 EDAB Cc1noc(C)c1CN1C[C@@]2(CCN(Cc3nccn3C)C2)CC1=O 96239399 NRYJSVJKDUMNTI-SFHVURJKSA-N 343.431 1.650 0 40 EDAB CCS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 96040463 MVHJXLPGCHERAC-GOEBONIOSA-N 340.445 1.681 0 40 EDAB CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)c1cncnc1N 583620947 LSAJVKRVPIRLKI-HOTGVXAUSA-N 341.415 1.203 0 40 EDAB Cc1noc([C@@H]2CN(Cc3nnc(C4CCC4)n3C)CCN2C)n1 583617686 FCVWIFIAVXDHIU-ZDUSSCGKSA-N 331.424 1.263 0 40 EDAB Cc1ccc(C(N)=O)cc1NC(=O)NC[C@@H]1CC(C(F)(F)F)=NO1 583651244 JHVTWNSTYFELSA-VIFPVBQESA-N 344.293 1.923 0 40 EDAB CC[C@H]1C(=O)NCCN1C[C@H](CCOC)NC(=O)OC(C)(C)C 583651840 UIOXQZWUEBOUIC-STQMWFEESA-N 329.441 1.127 0 40 EDAB O=C(Cc1ccco1)N1C[C@@H]2COC[C@]2(c2nnc(C3CC3)o2)C1 96218260 JTMSQDOFUADNIJ-SJKOYZFVSA-N 329.356 1.509 0 40 EDAB CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@H](CCc2ccccc2)C1 241262065 LBCBIENKFZLMFH-CVEARBPZSA-N 347.459 1.930 0 40 EDAB COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)[C@@H](C)C1CC1 585088194 OHIQALIBQYCTFZ-UMNHJUIQSA-N 328.434 1.002 0 40 EDAB CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2COC(=O)C2)c1 585087073 KUZVJJSDJGKWDZ-NSHDSACASA-N 340.401 1.267 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 247333387 POSASLCIEIEOJX-CVEARBPZSA-N 329.462 1.776 0 40 EDAB O=C([C@H]1CN(CCc2ccccc2)Cc2cncn21)N1CCCO1 247858141 LKPGLCXSMJYSNT-QGZVFWFLSA-N 326.400 1.646 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N2CCS[C@@H]2C(F)(F)F)c[nH]1 585129180 AJBUMLMBBXSUQO-SECBINFHSA-N 344.336 1.427 0 40 EDAB CCOC(=O)[C@@](NC(=O)Cc1ccnn1C)(C1CCC1)C(F)(F)F 585125634 ZRLKQTVZFRALIS-AWEZNQCLSA-N 347.337 1.743 0 40 EDAB COc1c(F)cc(NC(=O)NCc2nc(N(C)C)n[nH]2)cc1F 585136094 PQHLCRBTVXDNCT-UHFFFAOYSA-N 326.307 1.479 0 40 EDAB C[C@@H]1Oc2cc(S(=O)(=O)NCCc3ccco3)ccc2NC1=O 252485002 GMDVBPMYRWEIOF-JTQLQIEISA-N 336.369 1.520 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)CCc2cc(OC)no2)CCO1 257208995 BONDGZJPWHRVRT-GFCCVEGCSA-N 347.375 1.048 0 40 EDAB CCCCc1nc(CN2CC[C@H]3[C@H](C2)C[C@](C)(CO)N3C(C)=O)c[nH]1 257280727 OMCJBKYECYFFPF-VDZJLULYSA-N 348.491 1.946 0 40 EDAB CCCn1nccc1-c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1 257322898 WHXHCOFEINUZBI-UHFFFAOYSA-N 349.460 1.889 0 40 EDAB Cc1cc2nc(C3CCN(S(=O)(=O)c4cn[nH]c4)CC3)ccn2n1 257291046 QFISDGOMBSXMHU-UHFFFAOYSA-N 346.416 1.329 0 40 EDAB Cc1cc(C[C@H]2COCCN(C(=O)CCCn3ccnc3)C2)ncn1 257308966 TYYFEABWMKTQQO-MRXNPFEDSA-N 343.431 1.479 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)ccn1 257284131 PBIMJOHYRRFYTD-INIZCTEOSA-N 331.416 1.693 0 40 EDAB O=C(c1n[nH]c2c1CCCC2)N1CCOC[C@H]1CCc1cnccn1 257330041 XMNDFVGVPNTVAW-CQSZACIVSA-N 341.415 1.552 0 40 EDAB CS(=O)(=O)c1ccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 257210361 BUHISFFQUYFPNY-QZTJIDSGSA-N 347.436 1.714 0 40 EDAB CC(C)(C)OC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C[C@H]1O 265540632 KPKXBGLKFPRIOJ-QAPCUYQASA-N 336.432 1.509 0 40 EDAB CC(C)[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1CCCS1(=O)=O 262177617 RCARSRLJFJCBTE-ZDUSSCGKSA-N 340.401 1.383 0 40 EDAB O=C1[C@H](Nc2nccc(CO)n2)CCN1c1ccc(Cl)cc1F 624608160 UBGRJPPISOACLE-GFCCVEGCSA-N 336.754 1.979 0 40 EDAB CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)C1 604204062 JCADKWXSMCSFDE-ILXRZTDVSA-N 347.463 1.946 0 40 EDAB CN1CCN(c2ncc(S(=O)(=O)NCC3CC3)cc2Cl)CC1 1615046069 VKSFHJGPYLLUMG-UHFFFAOYSA-N 344.868 1.175 0 40 EDAB CN(C)c1ccc([C@H](O)CNC(=O)C(=O)NCc2cccs2)cc1 90611904 PMUFXOSMEGAGLN-OAHLLOKOSA-N 347.440 1.280 0 40 EDAB Cc1cc(C(=O)N2[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)ccn1 1615548123 MVQSWGPZTKOLKV-JYJNAYRXSA-N 329.400 1.384 0 40 EDAB O=C1CCCN1C[C@H]1CCn2nccc2CN1CC1CCOCC1 585097460 LWEVHHLBITUOAD-MRXNPFEDSA-N 332.448 1.506 0 40 EDAB O=C(CCCn1cccn1)N1CC[C@@](O)(COc2cccc(F)c2)C1 585270843 BSEGDQRAGUKZKX-SFHVURJKSA-N 347.390 1.845 0 40 EDAB CCn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)c1ncn(C)n1)C2 585110822 LBWFYPVWVZVJTM-CQSZACIVSA-N 344.419 1.198 0 40 EDAB Cc1ccncc1N1CCN(Cc2nc3ccccc3c(=O)n2C)CC1 685007270 VHHPWQLDIWBEHP-UHFFFAOYSA-N 349.438 1.959 0 40 EDAB Cc1sc2ncn(CC(=O)N3CCO[C@@H]4CCC[C@H]43)c(=O)c2c1C 56193641 YULYACIHIQEGBF-CHWSQXEVSA-N 347.440 1.855 0 40 EDAB Cc1cnc(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)s1 55484821 IOQXCWPXHBJYOP-UHFFFAOYSA-N 330.369 1.756 0 40 EDAB CNC(=O)c1ccc(NC(=O)NCC(=O)NC2CCCCC2)c(C)c1 58624305 SNWTUJVAXROTFE-UHFFFAOYSA-N 346.431 1.925 0 40 EDAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NCCCc3ccccc3)[C@H]3CO[C@@H]2O3)c1 952844599 AKMGDCGXQRESTO-IEWDOMPSSA-N 343.427 1.440 0 40 EDAB biogenic,in-vitro Cc1nc(S(=O)(=O)NCCNc2ccc3ccccc3n2)cn1C 71914092 YORMGIJDBYHYBT-UHFFFAOYSA-N 345.428 1.667 0 40 EDAB CC[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)C(=O)N1CCOCC1 91704103 DMDDVQPUEQFQLI-MRXNPFEDSA-N 349.406 1.531 0 40 EDAB C[C@@](CO)(NC(=O)NC1CCN(Cc2cscn2)CC1)C1CC1 95966588 ZFROMECGNOXQHQ-INIZCTEOSA-N 338.477 1.568 0 40 EDAB C[C@H](O)CCN(C)S(=O)(=O)Cc1ccc(Br)cc1 95433828 OPKOQMJQZZPSTA-JTQLQIEISA-N 336.251 1.982 0 40 EDAB O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 134746 WZKMVUQBVMHBLW-IZZDOVSWSA-N 339.332 1.175 0 40 EDAB COc1ccc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc1Br 5355342 DIGQXKQLTQEUTO-ZCFIWIBFSA-N 345.149 1.198 0 40 EDAB CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCCCN1CCOCC1 5000579 SMKVZXNBOVLKBZ-FRQCXROJSA-N 337.508 1.629 0 40 EDAB C[C@@H]1CCc2noc(C3CCN(S(=O)(=O)N(C)C)CC3)c2C1 12120330 CABYODJECYUEDH-LLVKDONJSA-N 327.450 1.785 0 40 EDAB CCCC(=O)N1CCC(c2ncc3c(n2)CCN(C(C)=O)C3)CC1 19501173 RHZHMBQFHOSQHY-UHFFFAOYSA-N 330.432 1.887 0 40 EDAB O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)N1CCC[C@H](OC2CCC2)C1 585090925 ANJQEPZDZTYPOL-XHSDSOJGSA-N 335.448 1.883 0 40 EDAB Clc1cnc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)nc1 1888869923 GVLCFBGTPFOMNQ-UHFFFAOYSA-N 342.794 1.432 0 40 EDAB Cc1nnc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)o1 1888888347 XXNJPZZVSMUGJH-ZIAGYGMSSA-N 348.428 1.131 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2cncc(N3CCCC3=O)n2)CC1 1888888512 SONWFYPZGJYMER-UHFFFAOYSA-N 347.419 1.661 0 40 EDAB COc1nc(OC)nc(N2CCN(c3ccccc3OC)CC2)n1 1889136132 TUXOXHNLDVDGIN-UHFFFAOYSA-N 331.376 1.224 0 40 EDAB NC(=O)c1cc(OC2CN(C(=O)Cc3ccccc3Cl)C2)ccn1 1889152038 ZHBTXNSVOBAIMC-UHFFFAOYSA-N 345.786 1.666 0 40 EDAB Nn1c(SCC(=O)NC[C@H]2CCCO2)nnc1C1CCCCC1 20860541 KWYRQOLEQOPRHB-GFCCVEGCSA-N 339.465 1.427 0 40 EDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nncs1 21214368 QVHPBBQSVLJPDD-ZDUSSCGKSA-N 329.385 1.705 0 40 EDAB Cc1noc(C)c1CC(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 21492851 HIFSYTBXZXCWLN-UHFFFAOYSA-N 344.323 1.591 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H]1CCS(=O)(=O)C1 32784494 QTSWOASUPDGCFX-ZDUSSCGKSA-N 327.450 1.002 0 40 EDAB CCO[C@H]1CCN(C(=O)CCS(C)(=O)=O)[C@H]1Cc1ccccc1 1565552462 VHPUUWUCZVNCOP-HOTGVXAUSA-N 339.457 1.670 0 40 EDAB O=C(CSc1nc(=O)n2ccccc2n1)OCc1ccccc1 4499783 SPNURUDCTNHBSN-UHFFFAOYSA-N 327.365 1.925 0 40 EDAB COc1ccc(CCNC(=O)c2cc3cccnc3n(C)c2=O)cc1 5303565 GANFHMFDODZJSI-UHFFFAOYSA-N 337.379 1.915 0 40 EDAB CC(C)NC(=O)[C@H]1CCc2c(C(=O)N3CCCCCC3)ncn2C1 2055715761 HPHYCAAURZMTIZ-AWEZNQCLSA-N 332.448 1.986 0 40 EDAB CCCN(CC)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713396 JHAYTEJYBWNLBX-AWEZNQCLSA-N 348.447 1.176 0 40 EDAB COc1ccc2cc(-c3nnc(-c4cn(C)nn4)o3)c(=O)oc2c1 1775967363 OKAFUGVHZGJDGZ-UHFFFAOYSA-N 325.284 1.647 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)c3ccc(OC)c(F)c3)C2)nn1 225439290 HMDXPJDKIDBFJW-GFCCVEGCSA-N 347.346 1.926 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCc1nccnc1-c1cnn(C)c1 575619698 MIIMDPYWGFSEGC-ZDUSSCGKSA-N 337.383 1.961 0 40 EDAB Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)o1 49026914 FUTAQMHDPQPOMZ-LLVKDONJSA-N 332.312 1.105 0 40 EDAB O=C(Nc1ccccc1F)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 12908338 KBBCNNYZVGDYIN-LBPRGKRZSA-N 341.408 1.162 0 40 EDAB O=C(CN[C@H](CN1CCOCC1)c1ccccc1)NCc1ccco1 102700493 GVMNUMBUQJGIED-GOSISDBHSA-N 343.427 1.559 0 40 EDAB Cc1cc(C(=O)N2CCC(C(N)=O)CC2)c2cnn(C(C)C)c2n1 40477580 XMTGTEQAXVARCN-UHFFFAOYSA-N 329.404 1.658 0 40 EDAB Cc1cc(=O)n2nc(NCCc3ccc4c(c3)OCO4)sc2n1 40489711 ASKZKHRKMCCNPA-UHFFFAOYSA-N 330.369 1.843 0 40 EDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc(Cl)nc1 31941407 QEGCAZGFKBONQW-OAHLLOKOSA-N 341.864 1.673 0 40 EDAB Cc1cnc(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)s1 101246111 WMZIMHRCALSKDK-GFCCVEGCSA-N 329.381 1.909 0 40 EDAB Cc1cc(C)n(CCC(=O)Nn2c(S)nc3ccccc3c2=O)n1 101606660 XWBDKLFHAZEGAJ-UHFFFAOYSA-N 343.412 1.659 0 40 EDAB O=C(NCc1ccco1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 29460163 CFALMHXHCRBWIC-CABCVRRESA-N 348.399 1.878 0 40 EDAB O[C@]1(c2ccc(I)cc2)CSC2=NCCN21 267302 HSGUFWTZNKSPSF-NSHDSACASA-N 346.193 1.855 0 40 EDAB Cc1ccc(-c2cnc(CCC(=O)N3CC[C@@H](C(N)=O)C3)o2)cc1 41129216 NXIVMPZPXZKABI-CQSZACIVSA-N 327.384 1.916 0 40 EDAB O=C(CCNS(=O)(=O)c1cccc(Br)c1)NC1CC1 8034904 QWVKBFZMPPLTEP-UHFFFAOYSA-N 347.234 1.396 0 40 EDAB C[C@@H]1CN(CC(=O)NCC2(c3ccccc3)CCOCC2)[C@H](C)CO1 52566398 SBDKRCDISDRMHT-IAGOWNOFSA-N 346.471 1.960 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc(F)cc1 2707824 YDSPIWWZZQSJIO-UHFFFAOYSA-N 341.294 1.848 0 40 EDAB CCc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 6938070 HDYMQAYRWCRRJA-UHFFFAOYSA-N 332.425 1.869 0 40 EDAB CCN(Cc1ccoc1)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C 97048253 DJDZSDKNCBUVGR-UHFFFAOYSA-N 339.417 1.531 0 40 EDAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)CC(N)=O 46979037 GYSOOQXTBQEDQG-ZETCQYMHSA-N 349.612 1.814 0 40 EDAB CC[C@@H](CNC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccccc1 72267643 VPIQRKPNPWGMJP-FUHWJXTLSA-N 333.476 1.559 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 33209525 FJIALCNKCIJHKL-WBMJQRKESA-N 340.383 1.447 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)CCC(=O)N2CCOCC2)cc1 8376067 JSQSQYOSOHTNNZ-UHFFFAOYSA-N 347.415 1.031 0 40 EDAB CN(C(=O)CNc1ccc(CC(=O)N2CCSCC2)cc1)C1CC1 72296258 XUNJDWFBBOTJKL-UHFFFAOYSA-N 347.484 1.837 0 40 EDAB C[C@@H](NC(=O)CSc1cccc[n+]1[O-])c1ccc2c(c1)CC(=O)N2 53356372 PUVBRQRVBZMBBM-LLVKDONJSA-N 343.408 1.784 0 40 EDAB Cc1csc2ncc(C(=O)Nc3ccc(C(N)=O)cc3)c(=O)n12 33698958 YWRNFZUZQKZYNQ-UHFFFAOYSA-N 328.353 1.416 0 40 EDAB O=C(CCn1cncn1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 41979880 PRMAPSUOTHFCDH-CQSZACIVSA-N 328.372 1.803 0 40 EDAB Cc1cc(C)nc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)n1 9140185 KGMUZSQTXKMXLY-UHFFFAOYSA-N 344.396 1.991 0 40 EDAB O=C(c1nc(N2CCOCC2)ncc1Cl)N1CCSCC1 53819195 VNHDCFHUCBLCPS-UHFFFAOYSA-N 328.825 1.156 0 40 EDAB O=C(O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1003612 ZOJIHMPEOUAVKG-UHFFFAOYSA-N 335.337 1.957 0 40 EDAB CN(Cc1ccsc1)S(=O)(=O)c1ccccc1S(C)(=O)=O 24051718 OAISCBGIDKZLFL-UHFFFAOYSA-N 345.467 1.972 0 40 EDAB CCc1nnc(CN2CCN(CC(=O)Nc3ccccc3)CC2)o1 24250172 RSFZFUZAEXDBPY-UHFFFAOYSA-N 329.404 1.388 0 40 EDAB O=C(CN1CCOCC1)Nc1nc2cc3c(cc2s1)OCCO3 24528533 RPCGDVAKOCXWOF-UHFFFAOYSA-N 335.385 1.338 0 40 EDAB CN1CCO[C@H](CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 106666518 COBDBPAQHWPDBO-ZIAGYGMSSA-N 334.338 1.539 0 40 EDAB COc1ccc(C[C@H]2CCCN2C(=O)CN(C)S(C)(=O)=O)cc1 55613798 SLRLOGVSWKMIHK-CQSZACIVSA-N 340.445 1.120 0 40 EDAB COc1ccc(-n2nc(C(N)=O)/c(=N/C(=O)c3ccco3)s2)cc1 1405169 HFXMJWLIDLQLEZ-ICFOKQHNSA-N 344.352 1.375 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)c3ncoc3[C@H]3CCCO3)CCO2)n1 76045389 XVGJCGWQJJWXGB-GHMZBOCLSA-N 333.348 1.166 0 40 EDAB CON(C)S(=O)(=O)c1ccc(NC(=O)Nc2cnn(C)c2)cc1 48059634 DSQFPJUVCPCGKG-UHFFFAOYSA-N 339.377 1.246 0 40 EDAB C[C@H]1CN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C[C@@H](C)O1 48274498 CSWLETRHCXNFBO-BETUJISGSA-N 339.399 1.718 0 40 EDAB O=C(NCCc1cccc(O)c1)[C@H]1CCCN(c2ncccn2)C1 58192320 PBQFMEWWXJXRIT-HNNXBMFYSA-N 326.400 1.758 0 40 EDAB Cn1cc(/C=C/C(=O)N2CCC[C@@H]2c2cccs2)c(=O)n(C)c1=O 44892957 LAGXKLASBPCBLO-SBDDDAINSA-N 345.424 1.522 0 40 EDAB Cc1c(C)c2ccc(OCC(=O)NCCC(=O)O)c(C)c2oc1=O 2146670 DKAVUNCQGBGDEN-UHFFFAOYSA-N 333.340 1.688 0 40 EDAB biogenic CCn1cnnc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 44942303 HUIYUGUJFXMDBB-ZDUSSCGKSA-N 327.388 1.276 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N(C)Cc1ccc2c(c1)OCCO2 44969609 LBHCQQXZOAGPEU-CYBMUJFWSA-N 330.388 1.884 0 40 EDAB CN(C)C1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 44934975 PWKRRLRGWJPXPW-MRXNPFEDSA-N 328.420 1.010 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CNC[C@@H]1CNc2ccnn2C1 58304919 HLUVOVKAWJPLTO-HZPDHXFCSA-N 330.432 1.571 0 40 EDAB CC(=O)NCCNC(=O)CN(CCc1ccccc1)C1CCCC1 58333169 IVHNSSPGHFHCBH-UHFFFAOYSA-N 331.460 1.726 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)CSCc1ccncc1 58378335 CPMNGCOARHQPNF-OAHLLOKOSA-N 329.425 1.528 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)c1 45030390 HJMJVOOFONYXCS-UHFFFAOYSA-N 344.371 1.982 0 40 EDAB C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)N1CCc2ccccc2C1 72282372 SKVOZLCGKLDNJF-WMLDXEAASA-N 335.473 1.458 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=O)CSc2n[nH]c(N)n2)c(C)c1 10715778 KFDCIJNGDWMBPV-UHFFFAOYSA-N 348.432 1.159 0 40 EDAB CN(CCN1C(=O)NC(C)(C)C1=O)Cc1cnn(-c2ccccc2)c1 45736101 OFEPVUDLQKHSDA-UHFFFAOYSA-N 341.415 1.635 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)N1CCN(c2cnccn2)CC1 11545979 OMVRWVSPUPQLFJ-UHFFFAOYSA-N 340.383 1.487 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N[C@@H]1COc2ccccc2C1 45836568 ZOIBVGPAEMKHKE-AWEZNQCLSA-N 335.363 1.516 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H](C)c1ccccn1 48315873 XQSDUFPQAISCIA-ZDUSSCGKSA-N 349.394 1.955 0 40 EDAB O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)[C@H]1CCS(=O)(=O)C1 110597652 NUEFKEGZDJXSIW-JSGCOSHPSA-N 340.420 1.345 0 40 EDAB Cc1ccc(C(N)=O)cc1NCC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C 69148449 AJHHPIVFVLTUFO-BXUZGUMPSA-N 346.431 1.910 0 40 EDAB CNC(=O)c1ccccc1NC(=O)c1c(O)c2c([nH]c1=O)CCCC2 13126221 XIZBIYGADCFMNH-UHFFFAOYSA-N 341.367 1.571 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)/C=C/c1ccncc1 70005961 AJHSDAWOTQRNSM-FYCOFBDGSA-N 330.432 1.154 0 40 EDAB COCCNC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 5060272 FTBHPAJRYQSGPV-UHFFFAOYSA-N 346.408 1.625 0 40 EDAB CCN1CCC(NC(=O)C(=O)Nc2ccn(-c3ccccc3)n2)CC1 65593111 DPQYMORAXCRPDW-UHFFFAOYSA-N 341.415 1.411 0 40 EDAB O=C(NCCCNC(=O)c1ccc2c(c1)OCO2)c1cccc(O)c1 65512739 RGAVITDLUMVZFE-UHFFFAOYSA-N 342.351 1.671 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCSc2c(F)cccc21 14134562 WQAVLAINQFTLGK-LLVKDONJSA-N 335.360 1.029 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(=O)[nH]c1 14185701 NQLZDFBLJMKVNC-UHFFFAOYSA-N 347.396 1.412 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2cccs2)NC(=O)N[C@@]1(O)C(F)(F)F 6576730 PGEUKBIMRDIPOG-LAEOZQHASA-N 338.307 1.532 0 40 EDAB O=C(NC1CC1)[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1 69571674 KCEUPTQSBSJZQX-HOCLYGCPSA-N 329.379 1.342 0 40 EDAB O=C(COCC(=O)Nc1ccc(Cl)cc1)NCCN1CCCC1 4682632 GAOSEKVHUAMGSC-UHFFFAOYSA-N 339.823 1.507 0 40 EDAB CCCc1nc(C)c(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)s1 69595597 XASMYKMCEANIEW-NSHDSACASA-N 345.490 1.545 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)C3(C)CCOCC3)CC2)n1 69624827 HKAMYONWKBSDIQ-UHFFFAOYSA-N 334.420 1.341 0 40 EDAB Cc1nc2sccn2c(=O)c1S(=O)(=O)NCc1ccco1 6859788 WCIYGYUIIFJBLC-UHFFFAOYSA-N 325.371 1.136 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@@]1(O)CCCc2ccccc21 66930426 OBHQKYRCYHIAGP-DJJJIMSYSA-N 342.395 1.738 0 40 EDAB C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 69768949 KUNIJRQBQGZGQC-ABAIWWIYSA-N 337.370 1.449 0 40 EDAB O=C(CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1)NC1CC1 20952173 FDQPFNUZGXKPGA-UHFFFAOYSA-N 341.415 1.133 0 40 EDAB CCCCN(C)S(=O)(=O)N[C@H]1CCN(c2ccccc2F)C1=O 69846287 IYZJVVVWEJQIED-ZDUSSCGKSA-N 343.424 1.497 0 40 EDAB CCCC(=O)NCC(=O)N1CCN([C@H](C)c2ccccc2F)CC1 69813577 GZJUSVBBBCHIJV-CQSZACIVSA-N 335.423 1.947 0 40 EDAB C[C@@H](C(=O)NC1CCCC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69844958 UVHGYXIAJBHCOE-QFBILLFUSA-N 345.487 1.785 0 40 EDAB CCn1ccc(C(=O)NC[C@@H]2CCN(Cc3cccc(O)c3)C2)n1 67773831 HJBQOLGOERSHEY-HNNXBMFYSA-N 328.416 1.861 0 40 EDAB COCc1nnc(NC(=O)CCc2c(C)nn3cnnc3c2C)s1 71288818 OQZDQDXCJOIGAC-UHFFFAOYSA-N 347.404 1.310 0 40 EDAB O=C(NCCCO)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 97175939 ZBKVKEBVXRBSEP-SNVBAGLBSA-N 341.205 1.301 0 40 EDAB Cc1nn(CCO)c(C)c1CNCc1ccc(N2CCCC2)nc1 97159888 NUDBPXXVZDLJNO-UHFFFAOYSA-N 329.448 1.777 0 40 EDAB COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 96005334 WAEVRNIPXMHBPZ-CQSZACIVSA-N 332.466 1.076 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@H](C(=O)O)C3)ccc12 9419002 OWLQWFCKFRBMMM-LBPRGKRZSA-N 345.351 1.803 0 40 EDAB biogenic C[C@@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ncnc2nc[nH]c12 9478642 BMDVKXGPSFPPSO-MRVPVSSYSA-N 327.300 1.243 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCC[C@@H]1[C@H]1CCCc2ccccc21 83616705 PKWRLUDZVOBIOQ-JKSUJKDBSA-N 336.457 1.647 0 40 EDAB CS(=O)(=O)NCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 96481148 DJQNCHOSSVCMAW-GFCCVEGCSA-N 343.518 1.751 0 40 EDAB CC(C)c1nc(NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)n[nH]1 72302848 KUZXTOPJFDQXKD-SNVBAGLBSA-N 326.364 1.781 0 40 EDAB Cn1c(=O)c(CN2CCN(c3ncccn3)CC2)nc2ccccc21 97201065 FKYYUQORHUUPAP-UHFFFAOYSA-N 336.399 1.046 0 40 EDAB c1ccc(-n2cc(CNC[C@H]3CCCN3c3cccnn3)nn2)cc1 71859938 HXFQBDREZVEBHD-QGZVFWFLSA-N 335.415 1.816 0 40 EDAB Cc1ccc(-n2cc(C(=O)N3CCN4CCCC[C@@H]4C3)nn2)cc1 71839772 APQBAUHHZSRIIU-MRXNPFEDSA-N 325.416 1.886 0 40 EDAB CCc1noc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 71883328 ZPAKNJSTXRBCMW-LLVKDONJSA-N 346.362 1.783 0 40 EDAB O=C1CCCCCN1CC(=O)N1CCCC[C@@H]1CN1CCOCC1 71896621 QCHQXZOEJIUSCV-MRXNPFEDSA-N 337.464 1.102 0 40 EDAB CN1N=C(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)CCC1=O 71839175 QTHQSHYVZHVROF-OAHLLOKOSA-N 339.399 1.845 0 40 EDAB CCCCCC(=O)OC(CN1CCOCC1)CN1CCOCC1 19996573 QWAOKIGWNRURQX-UHFFFAOYSA-N 328.453 1.143 0 40 EDAB COc1ccccc1N1CCC[C@H](Nc2ccc3nnnn3n2)C1 71910175 WLIHFXSXDMDRFW-LBPRGKRZSA-N 325.376 1.609 0 40 EDAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CCOCC(F)(F)F 71945019 ASWABLVOVYAASZ-CQSZACIVSA-N 344.289 1.795 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(CCc2scnc2C)C1 84065684 MKRMETOQLXVXHG-CQSZACIVSA-N 349.460 1.808 0 40 EDAB Cc1nn(C)c(Cl)c1CN1CCC(N2CCN(C)C2=O)CC1 84012376 GPCFZBCXSAVMNE-UHFFFAOYSA-N 325.844 1.714 0 40 EDAB NC(=O)c1cccc(CNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 79997375 RYGRACAAKCQOAC-OAHLLOKOSA-N 343.387 1.483 0 40 EDAB COc1c(C(=O)NCCc2ccn(-c3ccccc3)n2)c(C)nn1C 95395665 UIFOLDJUVRSSQM-UHFFFAOYSA-N 339.399 1.895 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CCCc3cn[nH]c32)C1 95436661 KNLVHWAYEUCCCZ-CABCVRRESA-N 330.432 1.594 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CCO[C@@]2(CCOC2)C1 95457463 QBASSSNDSLKUOQ-GUYCJALGSA-N 334.372 1.553 0 40 EDAB CCc1cccc(CC)c1S(=O)(=O)NC[C@@H]1CN(C)CCN1C 95960476 CFDKOHNYZKNPBT-MRXNPFEDSA-N 339.505 1.336 0 40 EDAB C[C@@H](Cc1ccc(F)cc1)NC(=O)CN(C)c1ncnc2[nH]cnc12 95954296 TVQZGGUDOMSFAX-NSHDSACASA-N 342.378 1.676 0 40 EDAB COCCN1CCC(CNC(=O)c2ccc([S@](C)=O)cc2)CC1 89414389 IKLOFQRHBVIKJZ-HSZRJFAPSA-N 338.473 1.512 0 40 EDAB CO[C@@H](C)c1noc(CCC(=O)NCc2ccc3c(c2)OCCO3)n1 75094368 WWHUEZRUFHLGHI-NSHDSACASA-N 347.371 1.797 0 40 EDAB Cc1ccc(C(=O)NCCNc2ncnc3sccc23)c(=O)[nH]1 75119854 CYDDGUDRNFZGOB-UHFFFAOYSA-N 329.385 1.530 0 40 EDAB O=C1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CCN1 89768161 YEKQCTOPXIVLMV-LLVKDONJSA-N 338.358 1.075 0 40 EDAB Cn1cc(CNS(=O)(=O)c2cnn(-c3ccccc3F)c2)cn1 89755785 NLHJRMMHPDVLKQ-UHFFFAOYSA-N 335.364 1.223 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)CCn1c(=O)oc2cc(Cl)ccc21 89937999 ZFOHLJWFLMRRLH-NSHDSACASA-N 337.807 1.801 0 40 EDAB CN(C)C[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 21410558 SUWIISCKIOAHBK-MRXNPFEDSA-N 336.395 1.956 0 40 EDAB N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3nc[nH]c4nccc3-4)C2)C1 1549293087 RJXVBBLRWMODEP-BZPMIXESSA-N 329.404 1.268 0 40 EDAB CCNc1cc(NCCNS(=O)(=O)c2cccnc2)nc(C)n1 38670710 TXXAZELEXOWCIF-UHFFFAOYSA-N 336.421 1.002 0 40 EDAB C[C@H](CN(C)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1nnn[nH]1 124153934 VPGIYSIRWSFNQQ-HQJQHLMTSA-N 344.202 1.802 0 40 EDAB CCn1ccnc(N2CCC(NC(=O)[C@H]3C[C@H]3C3CC3)CC2)c1=O 548349174 APZAITJIIGSIAW-GJZGRUSLSA-N 330.432 1.394 0 40 EDAB CC(C)n1nnnc1SCc1csc(CC(=O)N(C)C)n1 32832044 JICMMRTZFCGHSK-UHFFFAOYSA-N 326.451 1.634 0 40 EDAB O=C(CCn1cncn1)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 79000081 BTZASWNDINOYGO-UHFFFAOYSA-N 339.355 1.313 0 40 EDAB O=C(NC[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1)[C@@H]1CCCN1 122031155 FKGZOYWSBOCXNQ-QTYXSNHHSA-N 341.455 1.807 0 40 EDAB C[C@@H](CNS(=O)(=O)c1ccc(C(=O)O)cc1F)N(C)C1CC1 184993551 CUJHHSFMNHLZEB-VIFPVBQESA-N 330.381 1.285 0 40 EDAB CCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217414265 STLHXNAJKYSGMF-GFCCVEGCSA-N 342.417 1.664 0 40 EDAB CNCC(=O)N1CCC[C@@H]1c1cc(Nc2nccs2)nc(C)n1 72360925 HXEMAVOCUOJFJP-GFCCVEGCSA-N 332.433 1.868 0 40 EDAB Cc1cccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCCC3)c2=O)c1 222658791 CXCQQXHVUYSMIW-UHFFFAOYSA-N 343.383 1.518 0 40 EDAB COc1cc(OC)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226011461 KQOOQYCBNCAZIF-UHFFFAOYSA-N 348.384 1.709 0 40 EDAB C[C@@](O)(CCc1ccccc1)C(=O)N1CCN(Cc2ccon2)CC1 225766991 NPHBFSBMNCXLEQ-LJQANCHMSA-N 343.427 1.703 0 40 EDAB CC(=O)NCc1ccc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)cc1 571947740 XULAPTJYTOEDAD-INIZCTEOSA-N 348.399 1.419 0 40 EDAB C[C@H](CCO)CNC(=O)Cc1ccc(I)cc1 225414499 KPKRYPFESDCUOD-SNVBAGLBSA-N 347.196 1.968 0 40 EDAB COc1cc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc(OC)c1O 85875586 MHEMPPAQDDSYGI-JTQLQIEISA-N 331.324 1.847 0 40 EDAB biogenic O=C(c1ccno1)N1CCO[C@@H]2[C@H](COc3ncccn3)CC[C@H]21 96250016 HTSQRWWOJZIYPQ-OUCADQQQSA-N 330.344 1.163 0 40 EDAB CCOC[C@@H]1CN(C(=O)c2cnccn2)Cc2cnn(CC3CC3)c21 96198401 GJWPTVNEOGDXSR-HNNXBMFYSA-N 341.415 1.859 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@@H]2CN(Cc3nccs3)C[C@@H]2C1 96108069 CKBWMAWZCAAGGB-UKRRQHHQSA-N 346.456 1.455 0 40 EDAB O=C1C[C@@H]2[C@H](CCN2S(=O)(=O)c2cccs2)N1CC1CC1 96183920 KXZNKHGINLRASF-NWDGAFQWSA-N 326.443 1.522 0 40 EDAB CC(=O)N1CCC(N2C[C@@H]3Oc4ccccc4C(=O)N(C)[C@@H]3C2)CC1 514289586 LJJHNECFIAOBEI-AEFFLSMTSA-N 343.427 1.215 0 40 EDAB biogenic,in-vitro c1cncc(CO[C@H]2CC[C@H]3[C@H]2OCCN3CCN2CCCC2)c1 96042184 IRFSIQHOSFTKKG-GBESFXJTSA-N 331.460 1.926 0 40 EDAB CC(C)NC(=O)CS(=O)(=O)Cc1cn2cc(Cl)ccc2n1 96404467 RYJLRWKNPHNSDJ-UHFFFAOYSA-N 329.809 1.427 0 40 EDAB Cn1cc(CN2CCO[C@]3(CCCN(c4ccccn4)C3)C2)cn1 96226364 VJSSJSVDZQVWDW-GOSISDBHSA-N 327.432 1.687 0 40 EDAB COCCNC(=O)CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 95397808 QWWILRQFFUMSME-WDEREUQCSA-N 326.343 1.337 0 40 EDAB O=S1(=O)CC[C@@H](c2nn3c(-c4ccsc4)nnc3s2)C1 96231419 ZOGTYPXXJJOEKJ-MRVPVSSYSA-N 326.428 1.816 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N[C@@H]2CNC[C@H]2c2ccccc2)c1 578732154 OZZVDISFEDDLHH-LSDHHAIUSA-N 334.445 1.498 0 40 EDAB Cc1cc(C)c(C(=O)NCCS(=O)(=O)NCc2ccccc2)o1 96454131 VOTZQQVFXPMNEL-UHFFFAOYSA-N 336.413 1.746 0 40 EDAB COC(=O)[C@@H]1C[C@@H]2c3ccc(O)cc3N(C(C)=O)[C@@H]2N1C(=O)OC 95936517 KBAAHMQZNNBUBY-KWCYVHTRSA-N 334.328 1.182 0 40 EDAB CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1 96107890 NHXNGHIYFXRJAA-TZMCWYRMSA-N 330.475 1.421 0 40 EDAB COCCN1C(=O)CC[C@]12CCCN(C(=O)c1cnccn1)CC2 96217819 DRRZCPRMCZDHHC-KRWDZBQOSA-N 332.404 1.110 0 40 EDAB CCn1nc(C)cc1C(=O)N1CC[C@H]2O[C@@H](c3noc(C)n3)C[C@H]2C1 96043653 OPCPAURRIXXQFQ-NWANDNLSSA-N 345.403 1.895 0 40 EDAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2n[nH]c3c2CCCC3)[C@H]1O 257206536 BDWXTDNXGNFOEN-BFYDXBDKSA-N 343.431 1.630 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)n1 257217250 CYFCSCYKPAXOKA-HNNXBMFYSA-N 334.401 1.129 0 40 EDAB CC(=O)N1C[C@@H](NC(=O)c2cc(C)nc(C)n2)CC[C@@H]1C(F)(F)F 583620030 LACQFPRVGBPQHW-WCQYABFASA-N 344.337 1.765 0 40 EDAB Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)CCc2ccccn2)o1 583621390 ANVUZKHIUCCPFL-JSGCOSHPSA-N 333.367 1.439 0 40 EDAB Nc1nc(O)c2c(n1)NC(=O)C[C@@H]2c1ccc(OC(F)(F)F)cc1 585655786 LYWKSJCFZUBKKB-MRVPVSSYSA-N 340.261 2.137 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)c2cccnc2C)n1 257301418 RYJNPIVLOKDCJJ-INIZCTEOSA-N 339.399 1.793 0 40 EDAB Cc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc(C)c1CC(N)=O 257208546 BMPJTQVUYHXVDF-OAHLLOKOSA-N 338.411 1.751 0 40 EDAB Cc1cnc(NCC[C@@H]2CCOC23CN(c2ncccn2)C3)nc1 253600778 YNTJHJBKBBSHRF-CQSZACIVSA-N 326.404 1.673 0 40 EDAB O=C(C[C@]1(O)CCCN(Cc2ccccc2)C1)NN1CCCCC1 585088698 VFRIFBZQTNZSSD-LJQANCHMSA-N 331.460 1.921 0 40 EDAB CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@H](CCO)C(F)F)cc1 585087735 MCZOKCFUSUYXGK-CYBMUJFWSA-N 342.386 1.846 0 40 EDAB Cn1ccc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2(C)C)n1 585086786 FDPFQTCXDHSYFS-UHFFFAOYSA-N 326.400 1.683 0 40 EDAB Cc1nc(C)c(CC(=O)NC[C@]2(O)CCN(c3ccccn3)C2)s1 257303881 SJDSIGDDFMUXEN-QGZVFWFLSA-N 346.456 1.455 0 40 EDAB CCc1cnc(N2CCN(c3ccc4nnc(C)n4n3)CC2)s1 608091355 RBQONWGEAWKHMT-UHFFFAOYSA-N 329.433 1.778 0 40 EDAB Cn1cncc1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 585113023 YNYVEOFEQIUXLR-STQMWFEESA-N 334.420 1.986 0 40 EDAB CC(C)=CCNS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 585115476 BLGWMXNXCYTKTI-CYBMUJFWSA-N 348.465 1.508 0 40 EDAB CC1(NS(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CCC1 585115580 IUNRFIKGQRTBLD-LBPRGKRZSA-N 348.465 1.484 0 40 EDAB COC[C@]1(C(=O)O)CCN(C(=O)c2ccc(F)cc2OC(F)F)C1 262923786 GKLXJHNUOSMHIS-HNNXBMFYSA-N 347.289 1.990 0 40 EDAB COCCn1ncc2c1[C@@H](NC(=O)c1c(CO)noc1C)CCC2 1615056206 LXOIERXPSUSJKZ-LBPRGKRZSA-N 334.376 1.126 0 40 EDAB NS(=O)(=O)c1cccc(Cc2noc(-c3cc(C4CC4)on3)n2)c1 1615001327 QCFYGHVLNYVDSM-UHFFFAOYSA-N 346.368 1.840 0 40 EDAB C[C@H](O)CNC(=O)N[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 1615055734 POYLGTRILIAPGP-WFASDCNBSA-N 345.365 1.873 0 40 EDAB Cn1cc(CCCNS(=O)(=O)c2cc(C(=O)O)c(Cl)o2)cn1 1615572288 WPWCXLSEOOKABS-UHFFFAOYSA-N 347.780 1.276 0 40 EDAB Cc1cc(NC(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)n[nH]1 575414019 KBOGHROVRSGQGG-UHFFFAOYSA-N 334.383 2.250 0 40 EDAB COc1ccc(C(=O)CN(C)[C@@]2(C)CCS(=O)(=O)C2)cc1OC 575424973 WKDHPMXHJRCJBR-INIZCTEOSA-N 341.429 1.396 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1nnc(O)n1C 585137307 RRCBJWHYEKJBQI-TZMCWYRMSA-N 344.419 1.155 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)Cc2coc3cc(C)cc(C)c23)[C@@H]1O 585285735 RGONFMDSCDEDGH-OGWOLHLISA-N 347.411 1.731 0 40 EDAB COCC[C@@H]1CN(S(=O)(=O)c2cccnc2)Cc2cccn2C1 585095507 UPBACDNBSHXZQX-AWEZNQCLSA-N 335.429 1.740 0 40 EDAB COCC[C@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2cccn2C1 585095045 BCUDNAOESIMXMO-CYBMUJFWSA-N 338.433 1.079 0 40 EDAB Cc1csc(N2CCCN(c3ncnc4c3cnn4C)CC2)n1 57148391 DHDNRADLKFRZPA-UHFFFAOYSA-N 329.433 1.845 0 40 EDAB CCn1cnnc1C1CCN(C(=O)c2ccc3c(c2)nnn3C)CC1 65625550 IQLJUWMQFPFKMJ-UHFFFAOYSA-N 339.403 1.600 0 40 EDAB Cn1nnc2cc(COC(=O)c3ccc(Cn4cncn4)cc3)ccc21 78868949 LROAODPGIYUHES-UHFFFAOYSA-N 348.366 1.965 0 40 EDAB CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCc3[nH]ncc3C2)cc1 90454835 OGYJJPGUUPUAOG-BXUZGUMPSA-N 334.445 1.526 0 40 EDAB O=C(Nc1nc2c(s1)C(=O)NCCC2)c1noc2c1CCCC2 96124407 BGUFKQTYBFQVIF-UHFFFAOYSA-N 332.385 1.938 0 40 EDAB O=C(CC1CCCC1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124239 GJYDJGOUTWIIBA-UHFFFAOYSA-N 341.419 1.286 0 40 EDAB COc1ccc(CCC(=O)N2CCNCC2)cc1Br 107511973 UTPBKZFJGBIHHX-UHFFFAOYSA-N 327.222 1.822 0 40 EDAB NC(=O)c1ccc(CN(CC(=O)NCC(F)(F)F)C2CC2)cc1 13004814 ZFTMNKVOHTUHGM-UHFFFAOYSA-N 329.322 1.428 0 40 EDAB CC(C)(C)CC(=O)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19082785 WOZJBTUKULUYSW-GFCCVEGCSA-N 330.436 1.456 0 40 EDAB CNc1nc([C@H]2CCCN(C(=O)C(C)C)C2)nc2c1CN(C)CC2 19711513 HHFIMGIVJPEHIA-ZDUSSCGKSA-N 331.464 1.868 0 40 EDAB Fc1ccc(C2=Nn3c(CN4CCOCC4)nnc3SC2)cc1 19897458 UDANYESWTHCDNQ-UHFFFAOYSA-N 333.392 1.608 0 40 EDAB COCCCNC(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225730424 NMZAPLOLBRZDJF-UHFFFAOYSA-N 347.341 1.364 0 40 EDAB Cn1c2ccccc2n2c(=O)n(CC(=O)Nc3ccc(F)cc3)nc12 19289900 WNJIDKSRMFGQOM-UHFFFAOYSA-N 339.330 1.766 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cn1nccn1)C(C)C 253473882 ZLIXSTHSWQKXOJ-CYBMUJFWSA-N 338.433 1.598 0 40 EDAB Cn1cc(NS(=O)(=O)c2cccc(Br)c2)ccc1=O 40691038 PBTSTDUGLDEMOT-UHFFFAOYSA-N 343.202 1.949 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)o1 1614940707 VDRZWYZTOQPQTK-QGZVFWFLSA-N 328.372 1.591 0 40 EDAB Cn1c(C(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)C3)cccc1=O 1565543989 VLHKDQDDPFEXHE-UHFFFAOYSA-N 343.427 1.250 0 40 EDAB O=C(C1CC(F)(F)C1)N1CCc2ncnc(-c3cncnc3)c2C1 1565556258 AEKYVKNYZAOIBF-UHFFFAOYSA-N 331.326 1.864 0 40 EDAB CCCc1cc(=O)n(CC(=O)NC(C)C)c(-n2nc(C)cc2C)n1 5254800 YIASPPQVHAILKZ-UHFFFAOYSA-N 331.420 1.523 0 40 EDAB Cn1c(=O)c2cc(C(=O)NC3CCCCCC3)sc2n(C)c1=O 12422744 KBYRCRFEPREQNS-UHFFFAOYSA-N 335.429 1.751 0 40 EDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2cc(C)[nH]n2)C1 2055750811 AGOBCTXDRJNXCS-KRWDZBQOSA-N 331.395 1.660 0 40 EDAB CNC(=O)[C@H]1CCc2ncc(CNC(=O)[C@@]3(C)CC=CCC3)n2C1 2055772436 IPRRSTXSNGVFTH-UGSOOPFHSA-N 330.432 1.554 0 40 EDAB Cc1c(CN2CCC(C(=O)N3CCC3)(n3cccn3)CC2)cnn1C 2055772247 MSOJQSXVROEJMW-UHFFFAOYSA-N 342.447 1.149 0 40 EDAB O=C(C1CC1)N1CCc2ccc(=O)n(CC3CCOCC3)c2CC1 2055772868 OPFQUKHZQQAUHI-UHFFFAOYSA-N 330.428 1.612 0 40 EDAB COc1nccnc1N(C)CC1CCN(c2ccnc(C)n2)CC1 1775973908 PEEAPOGFPWPDFW-UHFFFAOYSA-N 328.420 1.936 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)CCSC)cc1 1775967506 UUCKFDKSZNYRGJ-NSHDSACASA-N 348.446 1.257 0 40 EDAB Cc1cc(-c2nnc(NC(=O)COc3ccccc3F)o2)n(C)n1 23128119 HRZAATPZOBIBSQ-UHFFFAOYSA-N 331.307 1.935 0 40 EDAB Cn1cc(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)nn1 206842564 WYYGAXKJNYIJDC-GFCCVEGCSA-N 340.343 1.104 0 40 EDAB CCCc1nnsc1C(=O)Nc1nc2c(s1)C(=O)NCCC2 211129890 DIMGEDIRJPOQMU-UHFFFAOYSA-N 337.430 1.875 0 40 EDAB CN1C[C@@H](CN2CCC(O)(c3ccc(Cl)cc3)CC2)OCC1=O 2298028264 LSUGNTRGJSQJIY-HNNXBMFYSA-N 338.835 1.481 0 40 EDAB Cc1cc(N2CCN(Cc3cnn(C)c3)[C@@H](C)C2)n2nccc2n1 2298048813 PGWPTCYGSQZHNI-AWEZNQCLSA-N 325.420 1.482 0 40 EDAB CN(C)c1ccc(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)cc1 70639393 JHAWDFAJBSMPFA-KRWDZBQOSA-N 341.411 1.411 0 40 EDAB CC1=C(C(N)=O)[C@H](c2cccc(Br)c2)N2NC=NC2=N1 71241 BSXCJHFSPUZZSF-NSHDSACASA-N 334.177 1.468 0 40 EDAB O=C(CCN1CCSC1=O)N1CCN(Cc2ccccn2)CC1 40474121 AVFWFGUOZIXBHA-UHFFFAOYSA-N 334.445 1.285 0 40 EDAB Cn1nc(C(=O)N(CC(N)=O)c2ccccc2)c2ccccc2c1=O 40481164 CMCGEIQSTMLADO-UHFFFAOYSA-N 336.351 1.066 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(OC[C@H]2CCCO2)cc1 40467895 QFQLGGRSHMMXHF-UKRRQHHQSA-N 339.413 1.161 0 40 EDAB CN1C(=O)C[C@@H](N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O 100823845 OXZXWLKPZHTVLO-CYBMUJFWSA-N 342.226 1.873 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1ccc(N2CCOC2=O)cc1 40523774 NDTXYQNGRVIISK-UHFFFAOYSA-N 327.344 1.111 0 40 EDAB CN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccccc1-n1cnnn1)C2 101348287 SPMCEQUWUWGUAD-KBPBESRZSA-N 326.404 1.407 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)Nc1ccc(F)cc1 69032158 MUCGVCFVVNYTCL-UHFFFAOYSA-N 329.397 1.667 0 40 EDAB Cc1cc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(=O)o1 2617457 HWEJOTGXTSPPEM-UHFFFAOYSA-N 337.353 1.418 0 40 EDAB O=C(N[C@@H]1CCOc2ccccc21)c1cnc2n(c1=O)CCS2 32688991 DYYDAOMPRHNAHZ-GFCCVEGCSA-N 329.381 1.603 0 40 EDAB C[C@@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)N1CCOCC1 29961725 WNTWQPCENUNTNZ-LBPRGKRZSA-N 332.379 1.666 0 40 EDAB N[C@@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 41028912 DZFNKHGMACDNKP-GFCCVEGCSA-N 347.278 1.646 0 40 EDAB in-vitro CCCNC(=O)[C@@H](C)NC(=O)C1=NN(c2ccccc2)C(=O)CC1 32736745 RYPRQYBQJFIWFN-GFCCVEGCSA-N 330.388 1.200 0 40 EDAB Nc1ccccc1C(=O)NCCCCNC(=O)c1ccccc1N 3013813 PWJSEKIRPOGWSZ-UHFFFAOYSA-N 326.400 1.791 0 40 EDAB CCOc1cc2c(cc1/C=C/C(=O)N1CC[C@H](C(N)=O)C1)O[C@H](C)C2 41128853 XCHPTPHSWQJVNU-JUGZCIIYSA-N 344.411 1.756 0 40 EDAB O=C(Oc1ccc2c(c1)CCC2)C1=CN2CCS(=O)(=O)N=C2C=C1 60656962 VWCALTDTCQBGAB-UHFFFAOYSA-N 344.392 1.578 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 21714388 SWCUDQLUPPZKNJ-QGZVFWFLSA-N 344.436 1.857 0 40 EDAB CCN1C(=O)[C@H]2[C@H](c3ccccc3F)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 4884591 UMDOTPGLDWJGAM-ZOPJHEKZSA-N 334.347 1.023 0 40 EDAB CCOCCCNC(=O)Cn1nc(-c2cccc(OC)c2)ccc1=O 4968159 IACBJGRIIAZUPZ-UHFFFAOYSA-N 345.399 1.462 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 32907747 GARZXPOAEVTFTK-UWVGGRQHSA-N 347.337 1.542 0 40 EDAB COc1ccc(NC(=O)[C@H]2CCCN2CC(=O)NCC2CC2)cc1 52715132 BEXLDGKTZFFPHX-MRXNPFEDSA-N 331.416 1.624 0 40 EDAB Cc1ccc(NC(=O)NCCS(C)(=O)=O)cc1Br 41340017 IKLGYVDJVAEAJT-UHFFFAOYSA-N 335.223 1.924 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCCO3)cn2)CCO1 47187069 SXUIYMMBTRUIDP-HOCLYGCPSA-N 333.432 1.882 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCN1C(=O)CCNC(=O)[C@H]1C[C@H]1C 76495452 QFZPDMKCHCEPLE-RYRKJORJSA-N 343.471 1.882 0 40 EDAB CC(=O)c1ccccc1NC(=O)CN1CCC(N2CCNC2=O)CC1 53282101 ZSUVYJQHQVXBNW-UHFFFAOYSA-N 344.415 1.317 0 40 EDAB Cn1nc(CC(=O)N2CCO[C@H]3CCC[C@H]32)c2ccccc2c1=O 53382150 FLUMHCQXIDOUNZ-CVEARBPZSA-N 327.384 1.256 0 40 EDAB Cc1ncc2c(n1)CCN(CC(=O)/N=c1\cc[nH]n1[C@@H](C)C1CC1)C2 103521667 HIJDBSXGKMWYAW-PHTQZVSBSA-N 340.431 1.371 0 40 EDAB CCOc1ccc(-c2c(C(=O)O)nnn2-c2nonc2N)cc1OC 12412086 CJWJKMPZTKWKSH-UHFFFAOYSA-N 346.303 1.005 0 40 EDAB COC(=O)C1(Cl)[C@@H]2CCC[C@@H]1C2NS(=O)(=O)c1ccccc1 101051672 DSIRNRZNPRXWMX-SIUPQYRZSA-N 343.832 1.914 0 40 EDAB O=C(c1cc[nH]n1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 42316003 UTIONHVEAIPIPK-UHFFFAOYSA-N 325.294 1.786 0 40 EDAB Cc1nc(CCNC(=O)Cn2ncc(=O)c3ccccc32)cs1 42636127 JUMSUQUGJWUAIB-UHFFFAOYSA-N 328.397 1.520 0 40 EDAB CCOC(=O)Cn1ncc(N2CCCCC2)c(Br)c1=O 26511288 AZZLHJKUCDZYME-UHFFFAOYSA-N 344.209 1.559 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)NCC(=O)Nc1ccc(Cl)cc1 54648769 TXYCTZDXQUILOX-UHFFFAOYSA-N 340.811 1.492 0 40 EDAB CO[C@H](C)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 55051897 RGVXVJUUAJXMQT-LLVKDONJSA-N 332.356 1.879 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CCO2)n1 78888675 CMYPWMSLNSVPGA-GXTWGEPZSA-N 341.371 1.139 0 40 EDAB Cc1nccn1CCCNC(=O)N[C@H](C)C(=O)Nc1ccccc1 78988674 FPDYLHRIJGSVIQ-CYBMUJFWSA-N 329.404 1.908 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N[C@H]2CCCc3c2cnn3C)cc1 24994992 CMMALBUQQHALPP-KXKDPZRNSA-N 338.411 1.987 0 40 EDAB O=C(NCc1nnc2n1CCC2)N[C@H]1CCN(Cc2ccccc2)C1 47964587 ORVOHBXSYAMSKQ-HNNXBMFYSA-N 340.431 1.298 0 40 EDAB COc1ccccc1[C@@H](C)NC(=O)CN1C(=O)N[C@H](C(C)C)C1=O 25008302 XUHJXYLZSRFIKO-IAQYHMDHSA-N 333.388 1.449 0 40 EDAB COCCN1CCN(CC(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)CC1 106627461 YSZMMQBPXLVTHE-BZSNNMDCSA-N 337.508 1.678 0 40 EDAB COc1ccc(C[C@@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)cc1 55612800 GDTDTKCLBLINGG-AWEZNQCLSA-N 329.400 1.837 0 40 EDAB CCN1C(=O)C(=C2C=C(C)N(CCO)C(C)=C2)C(=O)N(CC)C1=S 3251793 KACJYJXXSNADLO-UHFFFAOYSA-N 349.456 1.394 0 40 EDAB Cc1noc(C(C)C)c1C(=O)NCc1cccc(S(N)(=O)=O)c1 25270303 DSQJZMRXPMZRAN-UHFFFAOYSA-N 337.401 1.684 0 40 EDAB CCN1CCN([C@H]2CCN(C(=O)Nc3cnc(C4CC4)nc3)C2)CC1 106946143 BOQXZLVZMBMGPU-INIZCTEOSA-N 344.463 1.598 0 40 EDAB CN(C)C[C@@H]1CN(C[C@@H](O)COCc2ccccc2Cl)CCO1 106785943 WNLLESUUTCUCNB-HZPDHXFCSA-N 342.867 1.480 0 40 EDAB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 69160776 VDCOMRYWLFJZRM-LSDHHAIUSA-N 325.368 1.900 0 40 EDAB Cc1noc2ncc(S(=O)(=O)N3CCCC[C@@H]3[C@H](C)O)cc12 108137156 IOTITMWBDJMWMB-GXFFZTMASA-N 325.390 1.455 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)N2CCc3ccccc32)c1=O 57525665 GJLLMRURHHAMOQ-UHFFFAOYSA-N 335.363 1.290 0 40 EDAB O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cncc(F)c1 108460705 JTALTBMNALZOEH-QAPCUYQASA-N 343.402 1.834 0 40 EDAB COc1cc(N2CCC[C@@]3(CCN(C(=O)[C@H]4CCOC4)C3)C2)ncn1 107224620 JZEVHDYOAHXCHX-KBXCAEBGSA-N 346.431 1.341 0 40 EDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cnn(Cc2ccccc2)c1 79042159 FCVBYPXGKOVZTE-CQSZACIVSA-N 349.456 1.827 0 40 EDAB CCN(CC)C(=O)CN(C)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C 57752497 RVVUEMXPRDPYNK-UHFFFAOYSA-N 337.420 1.401 0 40 EDAB C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)N(C)C1CC1 57701392 DEZHDSOUDFNMMT-CJNGLKHVSA-N 349.500 1.881 0 40 EDAB O=C(CN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1)N1CCCC1 25195062 NRDPAEFXRXGINL-UHFFFAOYSA-N 341.455 1.556 0 40 EDAB Cc1ccc(C(=O)C(=O)NCCc2nnc(S)n2C2CC2)cc1 109058991 SCTGRNKVHSBMPF-UHFFFAOYSA-N 330.413 1.752 0 40 EDAB CC(C)CCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230741 OVWCRJITKOICLD-UHFFFAOYSA-N 328.434 1.624 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C)CC2)c(Cl)c1Cl 36049146 ORVOPHFDQZXVST-UHFFFAOYSA-N 339.244 1.938 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1ccc(-n2cccn2)nc1 58296193 KPJFEFVLXNJBEP-HOCLYGCPSA-N 344.415 1.858 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 44969665 MTOVVAZQFPMHIK-VXGBXAGGSA-N 333.358 1.455 0 40 EDAB O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(Cn2cncn2)cc1 44944168 LOOMOAKIWUBUCS-UHFFFAOYSA-N 346.354 1.759 0 40 EDAB Cc1cccc(OCCNC(=O)c2c(C)oc3nc[nH]c(=O)c23)c1 27998840 LMVGOGPUUIDOPF-UHFFFAOYSA-N 327.340 1.942 0 40 EDAB COc1cc(CNC(=O)CCn2c(=O)n(C)c3ccccc32)ccn1 48326489 NAHYYUVPGNBETP-UHFFFAOYSA-N 340.383 1.450 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 62406626 RGEZGIDNVPBZLN-YUMQZZPRSA-N 348.325 1.818 0 40 EDAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)N3CCC(C)CC3)nn12 12803642 LUAZIFOVORZCJF-GFCCVEGCSA-N 331.376 1.237 0 40 EDAB CC(=O)N[C@@H](C)C(=O)O[C@H](C(=O)Nc1cc(C)on1)c1ccccc1 12803393 CBTLXUBNPUHXEZ-NHYWBVRUSA-N 345.355 1.731 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)NCc2cccc(F)c2F)cc1 3591122 QASSMVGOSBNFQY-UHFFFAOYSA-N 326.324 1.542 0 40 EDAB in-vivo Cc1nn(C)cc1[C@H](C)NC(=O)NC1CCN(c2ncccn2)CC1 69335735 ZYWBYKRLRBHIDW-LBPRGKRZSA-N 343.435 1.548 0 40 EDAB C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)N(C)C 69347621 JPBTXZGSUYCTLD-GXTWGEPZSA-N 347.415 1.086 0 40 EDAB O=C(Nc1cccc(N2CCCC2=O)c1)N[C@H]1CCS(=O)(=O)C1 69352205 ANWQKMMUDVKUPK-LBPRGKRZSA-N 337.401 1.122 0 40 EDAB CCNC(=O)NC(=O)CN(C)Cc1c(C)nn(-c2ccccc2)c1C 8311577 SUOCCWKSTBLRAD-UHFFFAOYSA-N 343.431 1.767 0 40 EDAB Cc1ccccc1[C@@H]1[C@@H](C(=O)O)CCC(=O)N1CCN1CCOCC1 69492967 HGUXBEQHFMGUEZ-FUHWJXTLSA-N 346.427 1.692 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)c1 69445587 DIKUNNRZVVFHRN-CQSZACIVSA-N 339.399 1.329 0 40 EDAB CCc1ncc(C(=O)NCCNC(=O)c2ccc(OC)cc2)s1 65066751 WOKZKLNZKIMFHD-UHFFFAOYSA-N 333.413 1.874 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 4308205 ODFZKJVJDCDROZ-UHFFFAOYSA-N 335.379 1.595 0 40 EDAB COc1cc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc(OC)c1 13985154 LENMXELXOZBMAW-UHFFFAOYSA-N 331.372 1.975 0 40 EDAB O=C1CSC(=O)N1CCNC(=O)C1(c2ccccc2)CCOCC1 65407567 SZGGKXNHHLADNP-UHFFFAOYSA-N 348.424 1.546 0 40 EDAB COCC[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 69531498 ULLPVLLQVOQMTC-LBPRGKRZSA-N 343.449 1.920 0 40 EDAB NS(=O)(=O)c1ccc(CC(=O)NCc2ccc3c(c2)CCC3)cc1 69533433 GJLLLWQSRIGWEK-UHFFFAOYSA-N 344.436 1.682 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccccc1)C2=O 6680808 RNURKYPNQGCRKX-SCLBCKFNSA-N 329.400 1.804 0 40 EDAB C[C@@H](CC(=O)N1CCCN(Cc2cnn(C)c2)CC1)n1cccc1 69622586 CBSLJRZAEHCNFL-INIZCTEOSA-N 329.448 1.907 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@H](Cn2cncn2)C1 69653138 AMNQDVKNIATMSI-CABCVRRESA-N 345.451 1.795 0 40 EDAB Cc1ccc(C[C@H](C)NC(=O)NCCCN2C(=O)CNC2=O)c(C)c1 66599395 INEWYIBWVVCFGO-AWEZNQCLSA-N 346.431 1.476 0 40 EDAB CCCNC(=O)NC(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 6851306 OUOQJYBSWSEVDA-KRWDZBQOSA-N 346.387 1.080 0 40 EDAB O=S(=O)(CCN1CCC[C@H](Cn2cncn2)C1)c1ccccc1 69872975 BESZLPFTPKMHDO-HNNXBMFYSA-N 334.445 1.464 0 40 EDAB Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccccc2)cc1C 408551754 IOTJLFQEEQOOSI-UHFFFAOYSA-N 325.368 1.997 0 40 EDAB CN(C)C(=O)CN(C)S(=O)(=O)c1c(Cl)cccc1Cl 16091234 KRBLZZUZYVDVEB-UHFFFAOYSA-N 325.217 1.702 0 40 EDAB CC[C@H](C)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1 68459718 BKVDYNZEPNGKCG-GOEBONIOSA-N 346.427 1.883 0 40 EDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc2ccccc2c1 16342948 AENRFIJLUBZFHJ-KRWDZBQOSA-N 346.452 1.575 0 40 EDAB CN(C(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O)c1ccccc1 16400174 QMIOBFSISQDPPY-QGZVFWFLSA-N 327.340 1.710 0 40 EDAB CCC[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)C(=O)OC 91137976 CCSILIKCPBPJHG-OAHLLOKOSA-N 332.400 1.881 0 40 EDAB Cn1cc(CNS(=O)(=O)c2cc(Cl)cc3c2OCC3)cn1 97086224 ZESCHNGAKCAWPJ-UHFFFAOYSA-N 327.793 1.487 0 40 EDAB COc1ccc(-n2ccc(=O)c(C(=O)Nc3nnc(C)s3)n2)cc1 8995652 UWMMIBOWCCPNFF-UHFFFAOYSA-N 343.368 1.653 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)C2)no1 72231846 WODDRERFGJFWSA-KGLIPLIRSA-N 334.420 1.589 0 40 EDAB CNC(=O)Cn1cnc(NC(=O)CCn2ccc3ccccc32)n1 72297650 XDPBFGMOGGLVQG-UHFFFAOYSA-N 326.360 1.008 0 40 EDAB O=c1[nH]c(=O)n(C[C@H](O)COCc2ccccc2Cl)cc1Cl 96443612 TZRNHXOGELCHFI-JTQLQIEISA-N 345.182 1.421 0 40 EDAB CC(C)NC(=O)[C@@H](c1ccccc1)N1CCO[C@H](Cn2cncn2)C1 71876586 CVHQWFJBSKQHBT-DLBZAZTESA-N 343.431 1.245 0 40 EDAB CCN1CCN([C@H](C)CNC(=O)c2cn(-c3ccccc3)nn2)CC1 71853864 GOUOVCSMUYDXLE-OAHLLOKOSA-N 342.447 1.023 0 40 EDAB COCCc1noc(CN(C)C[C@H]2CCCN2c2cccnn2)n1 71860091 KRFWONYPYHTWND-CYBMUJFWSA-N 332.408 1.149 0 40 EDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1Cl 71849056 HEODHXBJACYBAS-UHFFFAOYSA-N 336.816 1.968 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccccc2Br)CC1 71870965 LPKKNFOPXAGVGD-LLVKDONJSA-N 327.222 1.588 0 40 EDAB CCCn1nnnc1CN(C)[C@H]1CCN(c2ccccc2Cl)C1=O 71893630 QOKOYFINGHAUJD-AWEZNQCLSA-N 348.838 1.974 0 40 EDAB O[C@@H](CN[C@H]1CCCN(c2cccnn2)C1)COCc1ccccc1 71876885 FSCRUUYXGYTQDI-ROUUACIJSA-N 342.443 1.613 0 40 EDAB C[C@H](Cn1cncn1)NS(=O)(=O)c1c(Cl)cccc1Cl 71972644 OOJFYJUCNDBMIW-MRVPVSSYSA-N 335.216 1.952 0 40 EDAB COCCOc1ccc(NC(=O)NCC[S@](C)=O)cc1Cl 71911799 KPGNSSLOFAFWJV-OAQYLSRUSA-N 334.825 1.865 0 40 EDAB Cc1ccccc1-n1ccnc1SCC(=O)NCC(C)(C)C(N)=O 72011230 ZTNUBFSPDWQCFM-UHFFFAOYSA-N 346.456 1.901 0 40 EDAB O=C1NC[C@]2(CCCN(C(=O)CCNC(=O)c3ccc(F)cc3)C2)O1 72151637 PKDQQNZXFPAWBN-KRWDZBQOSA-N 349.362 1.047 0 40 EDAB CC[C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1N1CCOCC1 84735797 AAFOZIGQPAEAIL-HUUCEWRRSA-N 336.436 1.270 0 40 EDAB CCN(CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)S(C)(=O)=O 84761280 XJMPCMBKULWDTJ-SNVBAGLBSA-N 334.388 1.766 0 40 EDAB CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1c(C)nn(CCO)c1C 84736273 VZZYXXZOYAQISN-YJBOKZPZSA-N 348.491 1.619 0 40 EDAB C[C@H]1C[C@H](NCc2ccccc2OCCN2CCOCC2)CN1C 95421116 PZCPZEUSNFAITD-WMZOPIPTSA-N 333.476 1.580 0 40 EDAB CCn1cc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cn1 95440519 LLUPPUBLWRGCMC-GOEBONIOSA-N 330.363 1.744 0 40 EDAB Cc1nc2sccn2c1CN1CCC[C@H](C(=O)N2CCOCC2)C1 95982405 CDONNDONURPISR-AWEZNQCLSA-N 348.472 1.775 0 40 EDAB CC(C)Cc1ccc(CC(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 95997853 WTQZAZCQOYOENB-UHFFFAOYSA-N 341.415 1.202 0 40 EDAB Cc1ccc(CCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)(C)C)cc1 95970073 MPDHGGVNMQRDOM-INIZCTEOSA-N 334.416 1.659 0 40 EDAB C[C@@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)NC(C)(C)C 89448490 JGVJWQFTGCSQOD-ZJUUUORDSA-N 347.385 1.796 0 40 EDAB CCOC(=O)N1CCN(C(=O)NC[C@@H]2CCCN(C(C)C)C2)CC1 75128227 KLAXBHLEWJARPC-HNNXBMFYSA-N 340.468 1.591 0 40 EDAB CC(C)(C(=O)NCC1CCN(S(C)(=O)=O)CC1)c1cccs1 89775545 MJWDJSBPIVWWNL-UHFFFAOYSA-N 344.502 1.814 0 40 EDAB O=C(Nc1cnn(CCN2CCOCC2)c1)[C@H]1C[C@@H]1c1ccccc1 89827926 HDPQVYLASRXOEC-MSOLQXFVSA-N 340.427 1.958 0 40 EDAB COC(=O)c1coc(S(=O)(=O)NCCCCN(C)C(C)C)c1 89869462 VRVOVOYGSXXGAE-UHFFFAOYSA-N 332.422 1.465 0 40 EDAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(COC(C)=O)O2)cc1 409308898 ZCTKVONBELEJQR-FSZRXZPDSA-N 343.335 1.071 0 40 EDAB CN1C[C@H]2CC[C@H](C(=O)NCC3CC3)N2c2ccccc2S1(=O)=O 306139311 SUJFSCKYCZBIJH-UKRRQHHQSA-N 349.456 1.184 0 40 EDAB CC[C@](C)(CNC(=O)c1c(C)nn(C)c1Cl)N1CCOCC1 42775923 PKIUSZKGRNZMGT-OAHLLOKOSA-N 328.844 1.613 0 40 EDAB Cc1noc([C@H](NC(=O)NC[C@@H]2CCCN2C)C2CCOCC2)n1 548012786 UNDGPPRRVKZUJS-UONOGXRCSA-N 337.424 1.239 0 40 EDAB C[C@H](SCc1nnnn1-c1ccccc1Br)C(N)=O 69166393 DJKUURCLBYVPLM-ZETCQYMHSA-N 342.222 1.532 0 40 EDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1c(F)cccc1F 548210494 PKRUSSBICYOGQF-LDYMZIIASA-N 335.328 1.123 0 40 EDAB Cc1cc(C(=O)NCCN2CCCC2)nc([C@@H]2CCCN(C)C2)n1 72369318 ZVIKFXIRQVVOQI-OAHLLOKOSA-N 331.464 1.420 0 40 EDAB CCC[C@@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 30755292 VVOGUTNCRKCHCD-GFCCVEGCSA-N 345.440 1.743 0 40 EDAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NCCc1c[nH]cn1 33527052 FYZDQGZPGUYQQG-SDQBBNPISA-N 346.368 1.398 0 40 EDAB C[C@H](N)C(=O)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 79391347 NSCULTFJGXIHGV-QWHCGFSZSA-N 325.453 1.972 0 40 EDAB Cc1cccnc1[C@@H](NCC(=O)N1CCC[C@H](C(N)=O)C1)C(C)C 72296429 GMDVBFWVCGGAGR-HOCLYGCPSA-N 332.448 1.401 0 40 EDAB CN(C)c1cccc([C@@H]2CCCN2CCCN2C(=O)CNC2=O)c1 75839104 WNWKCKINUKPUHX-INIZCTEOSA-N 330.432 1.831 0 40 EDAB COc1ccc2[nH]cc(NC(=O)N3CC[C@H](O)[C@H](C)C3)c(=O)c2n1 72347426 PRSKVOIDLMXGFV-SKDRFNHKSA-N 332.360 1.166 0 40 EDAB CC(C)[C@H](N)C(=O)NC[C@H]1CCCN1C(=O)OCc1ccccc1 79393238 VJUQMQGVXIPMJH-CVEARBPZSA-N 333.432 1.887 0 40 EDAB CCc1nccn1-c1cncc(C2CCN(C(=O)COC)CC2)n1 72355362 YVLRZSFXSQKAMW-UHFFFAOYSA-N 329.404 1.577 0 40 EDAB Cc1cc(N2CCC(C(N)=O)CC2)n2nc(-c3nccn3C)cc2n1 72338483 QRTKCNAVUBZGOM-UHFFFAOYSA-N 339.403 1.140 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCN1C(=O)CCn1ccccc1=O 76494544 YEOTWHDUPQESTM-KRWDZBQOSA-N 339.439 1.971 0 40 EDAB Cn1nc(C(=O)NCc2cccnc2-c2ccsc2)ccc1=O 225646340 DFWZCVPNCNAYQU-UHFFFAOYSA-N 326.381 1.834 0 40 EDAB Cc1nc(CN2CCN(c3ncnc4c(C)csc34)CC2)n[nH]1 225457372 KBAYLCJBPHBVLT-UHFFFAOYSA-N 329.433 1.748 0 40 EDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)C1CCCCC1 224357830 GZPNCSWXCPWBDY-UHFFFAOYSA-N 333.436 1.898 0 40 EDAB O=C(Nc1ccnnc1)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 572485690 HZFNWPGXYMKGNE-ZBFHGGJFSA-N 338.371 1.498 0 40 EDAB Cc1nn(CCO)c(C)c1CNCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 97159771 SRWKOFUGPOLERA-KBPBESRZSA-N 338.496 1.470 0 40 EDAB C[C@H](N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1)C(F)(F)F 96453776 DLKMHNQHJLLVIZ-JTQLQIEISA-N 326.322 1.996 0 40 EDAB O=S(=O)(c1cccs1)N1CCn2c(Cn3cccn3)cnc2C1 96070122 YNCKAOSMRCPJKC-UHFFFAOYSA-N 349.441 1.394 0 40 EDAB C[C@@H](C(N)=O)N1CCN(C(=O)[C@H](C)CCc2cccc(F)c2)CC1 96431063 XSPVRAMNUVEMSL-KGLIPLIRSA-N 335.423 1.412 0 40 EDAB COc1cc(N2CCC3(CC2)C[C@H](Nc2ncccn2)CO3)ncn1 96221571 QSZYOQXNYFIIEN-ZDUSSCGKSA-N 342.403 1.515 0 40 EDAB COC[C@@]12CCO[C@@H]1CCN(C(=O)COc1ccccc1OC)C2 96110344 DFAVVADMPCRBDW-AEFFLSMTSA-N 335.400 1.728 0 40 EDAB Cc1oncc1C(=O)N1CCn2cc(CNc3ccccn3)nc2C1 96068055 PANZSKLMBLETLQ-UHFFFAOYSA-N 338.371 1.843 0 40 EDAB CC(C)[C@@H](Cn1nccn1)NS(=O)(=O)c1ccccc1Cl 238824742 DLVMVRFTSQFORJ-GFCCVEGCSA-N 328.825 1.935 0 40 EDAB Cc1nc(CNC[C@H]2Cn3nnc(-c4ccoc4)c3CO2)cs1 96069309 PBOKEYMSLUGJSU-ZDUSSCGKSA-N 331.401 1.992 0 40 EDAB Cc1ccc(Cl)c(OC[C@@H](O)Cn2cnc([S@@](C)=O)n2)c1 97375801 ZAYGKKVMVPTUMW-CWKPULSASA-N 329.809 1.417 0 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COCCC(=O)N1CC[C@@H](c2ncncc2-c2ccnc(N)c2)C1 257224872 FDUJIUVVEBAYQZ-CYBMUJFWSA-N 327.388 1.473 0 40 EDAB CC(=O)N1CCN(C(=O)C2CCN(C)CC2)C[C@H]1c1ccccc1 257254990 KFQXNCYFVHMGCR-SFHVURJKSA-N 329.444 1.760 0 40 EDAB COC(=O)[C@H](NC(=O)CSC[C@H]1CCCCO1)c1ccccn1 584907193 YNBKQCRHHOLMAI-IUODEOHRSA-N 338.429 1.714 0 40 EDAB C/C=C/C=C/C(=O)NCc1ccc(CN2CCS(=O)CC2)cc1 585089506 SLJURAYCJOLUPH-MQQKCMAXSA-N 332.469 1.999 0 40 EDAB O=C1CCCN1CC[C@H]1CN(CC2CCOCC2)Cc2ccnn21 253616721 ATLOCJLQDBFIKB-KRWDZBQOSA-N 332.448 1.679 0 40 EDAB COCc1cccc(C(=O)N2CCO[C@H](c3nc(C)cc(O)n3)C2)c1 257323384 WJXZNHFRXPISPC-HNNXBMFYSA-N 343.383 1.851 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2scc3c2OCCO3)C1 585118680 YDIDWBGTTPZUBU-GHMZBOCLSA-N 331.459 1.965 0 40 EDAB O=C(CCN1CCO[C@H](Cn2ccnn2)C1)Nc1cccc(F)c1 585116203 LBKAMZWDXAUQRR-HNNXBMFYSA-N 333.367 1.147 0 40 EDAB O=S(=O)(N1CCOCC1)N1Cc2nccn2C[C@@H]1c1ccccc1 257237391 HGGGMPXLEUVZNN-OAHLLOKOSA-N 348.428 1.017 0 40 EDAB Cn1ccc2cc([C@@H](O)CNC(=O)C(=O)NCc3ccco3)ccc21 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0 40 EDAB Cn1cnc(C(=O)N2Cc3cccn3C[C@@H](Oc3ccccn3)C2)c1 575406040 VQTOCQGRBCYPJJ-OAHLLOKOSA-N 337.383 1.720 0 40 EDAB COCC(=O)N1CCn2c(CCOc3cccnc3)cnc2[C@H]1C 585098659 WKBPCENJRJJYGP-CYBMUJFWSA-N 330.388 1.449 0 40 EDAB Cc1cc(C(=O)N2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)nc(O)n1 585279822 QAGPJPUWLYCVAL-CZUORRHYSA-N 345.374 1.695 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 48615080 KIVBOMIUJXSSMJ-PBHICJAKSA-N 335.423 1.631 0 40 EDAB CNC(=O)COc1cccc(CN[C@@H](C(N)=O)c2ccccc2)c1 56203296 IHSQVSFZVJUHHB-QGZVFWFLSA-N 327.384 1.128 0 40 EDAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1nc(C(=O)O)co1 577642885 YVZCJQNBIIAFBG-VIFPVBQESA-N 339.373 1.213 0 40 EDAB COCCn1c(-c2ccnn2C)nnc1N1CC[C@@]2(CCCOC2)C1 1615555691 WZCNBGSBSCGWHH-KRWDZBQOSA-N 346.435 1.332 0 40 EDAB C[C@@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)C1(S(C)(=O)=O)CC1 1615613194 UFEVIYJRUPHPSR-SSDOTTSWSA-N 339.339 1.134 0 40 EDAB C[C@@H]1[C@H]2OC(=O)[C@H]3C(=O)[C@](C)(O)O[C@@H]2[C@H]2CCCC[C@@H]2[C@@]1(C)C3=O 1772591636 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40 EDAB O=C(CN1CCc2cncnc2C1)Nc1ccnn1C1CCCC1 69569056 ZUFVRGVTQDKAPQ-UHFFFAOYSA-N 326.404 1.785 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCN(C[C@@H](O)c2ccco2)CC1 69538706 IDOSDADMKKBCIX-TZMCWYRMSA-N 332.404 1.952 0 40 EDAB CCCn1nnnc1NC(=S)NC(=O)COc1ccc(C)c(C)c1 569728 PKJKOUHXASCPCJ-UHFFFAOYSA-N 348.432 1.592 0 40 EDAB CSc1ncccc1C(=O)OCC(=O)NC(=O)NCCC(C)C 2663977 SRCXDWPVEOKNCD-UHFFFAOYSA-N 339.417 1.832 0 40 EDAB Cc1cc(N2CCN(Cc3nnnn3C3CC3)CC2)nc(C(C)C)n1 29965276 KIKPITCYOAQQIU-UHFFFAOYSA-N 342.451 1.552 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 4151141 GYSZDHKATPXQEB-QXSJWSMHSA-N 348.374 1.353 0 40 EDAB CCS(=O)(=O)NC1CCN(C(=O)c2ccc(C)c(F)c2)CC1 32928664 WSUUHCRKYQFCSJ-UHFFFAOYSA-N 328.409 1.678 0 40 EDAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 6541751 FOMIBKNYVXXVMA-LBPRGKRZSA-N 328.434 1.667 0 40 EDAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 6879669 BSTOKKOLKFKUOU-QPEQYQDCSA-N 348.380 1.978 0 40 EDAB c1cncc(CN2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)c1 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EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N1CCC[C@H]3CCCC[C@@H]31)CC2 69709188 WFFWPWJWRJMRIW-OAGGEKHMSA-N 331.464 1.672 0 40 EDAB COC(CNC(=O)c1cccc(I)c1)OC 42208168 ODTOUONZOTYKOQ-UHFFFAOYSA-N 335.141 1.640 0 40 EDAB Cc1cc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)n(C)n1 47232317 PUDALNIZMFVGQL-UHFFFAOYSA-N 348.428 1.730 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102590074 HWYZOLTUJQNTFA-ZJMHZOEWSA-N 336.391 1.987 0 40 EDAB CC[C@@H](C)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23447285 KIUPQWXPRRUYSO-GFCCVEGCSA-N 334.445 1.446 0 40 EDAB CN(CCCOc1ccccc1)Cc1nc2c(cnn2C)c(=O)[nH]1 54418229 YHTQJOAPEAITNO-UHFFFAOYSA-N 327.388 1.558 0 40 EDAB O=C(Cc1ccc(Cl)cc1)NN1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102202601 RJIZTXJEPYRSSO-IMIFBBOLSA-N 334.759 1.076 0 40 EDAB CCOC(=O)C(=CNc1ccsc1C(=O)OC)C(=O)OCC 3179842 GMYNCQIGQDXWMM-UHFFFAOYSA-N 327.358 1.957 0 40 EDAB CC1([C@H]2CCCN(Cc3nnnn3-c3ccccc3)C2)OCCO1 97086600 LXYOSKZBFLJQPM-AWEZNQCLSA-N 329.404 1.637 0 40 EDAB O=C(CN1CCCNC1=O)Nc1nc(-c2ccc(F)cc2)ns1 97001892 JWXWNEUSTQSPKK-UHFFFAOYSA-N 335.364 1.698 0 40 EDAB C[C@@H]1Oc2ccc(N[C@H](C)C(=O)NC(=O)NC3CC3)cc2NC1=O 12516042 BPURGPWKSMPLHX-BDAKNGLRSA-N 332.360 1.195 0 40 EDAB CNC(=O)CCNC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 47810770 SYYDTSVJHMDOKT-STQMWFEESA-N 334.420 1.558 0 40 EDAB CC[C@@H]1[C@@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O 100069268 CJDRUOGAGYHKKD-QTAXDZHDSA-N 326.440 1.555 0 40 EDAB COc1ccc(OC)c([C@H](O)CN2CCCC[C@@H]2Cn2cncn2)c1 72253344 JOXUXRLRISYRPP-RHSMWYFYSA-N 346.431 1.883 0 40 EDAB COCCCS(=O)(=O)N1CCN(Cc2ccc(C)s2)CC1 92062662 KSPZDZYDHYNAMK-UHFFFAOYSA-N 332.491 1.540 0 40 EDAB COc1ncccc1CNC(=O)NC[C@@H]1COc2ccccc2O1 26384758 SPDWNAFWXZPHTA-CYBMUJFWSA-N 329.356 1.729 0 40 EDAB COc1cccc(COCC(=O)N2CCC[C@H](n3cncn3)C2)c1 72234887 IZWFCYWDHZCMRB-HNNXBMFYSA-N 330.388 1.667 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1 76045860 SYNRKCQWXWCVIK-AWEZNQCLSA-N 346.435 1.250 0 40 EDAB CCN1CCO[C@H](CN2CCN(CCOc3ccc(C)cc3)CC2)C1 72279894 QFWVEWLVULGLNS-FQEVSTJZSA-N 347.503 1.712 0 40 EDAB CN(Cc1ccc(/C=C/C(=O)NCc2cccnc2)o1)S(C)(=O)=O 20449854 TUNNCTHWIVFXSE-BQYQJAHWSA-N 349.412 1.396 0 40 EDAB CN(C)CCN(CCCc1ccccc1)C(=O)[C@H]1CCC(=O)NC1 66946121 DNVMOJILIQSXTH-KRWDZBQOSA-N 331.460 1.536 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)C1(c2cccc(Cl)c2)CC1 44724589 QRFZRUJYIACRRL-NSHDSACASA-N 327.833 1.923 0 40 EDAB Cc1cccc(CCNC(=O)CCn2nnc3ccccc3c2=O)c1 58209014 XSAUSLDWZZDAPL-UHFFFAOYSA-N 336.395 1.849 0 40 EDAB O=C(COCCOc1ccccc1)Nc1ccnn1C[C@@H]1CCOC1 58283415 RXWLNFYJRPTHTN-HNNXBMFYSA-N 345.399 1.954 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NCc1cccc(N2CCCC2=O)c1 44955141 QLEPELAWXLMIOO-CQSZACIVSA-N 341.415 1.898 0 40 EDAB Cc1nc(CCNC(=O)N2CCN(Cc3cccnc3)CC2)cs1 44967697 LZWFBYSSUSELSG-UHFFFAOYSA-N 345.472 1.916 0 40 EDAB O=C(C1CCCC1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 44908058 DTDXCXIILZEZJH-UHFFFAOYSA-N 347.440 1.470 0 40 EDAB CC(C)CCC[C@@H](C)NC(=O)CCn1cc(S(N)(=O)=O)cn1 58344404 VXNUYCJCVXOMAS-GFCCVEGCSA-N 330.454 1.252 0 40 EDAB CCOc1ccccc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 58418521 AAPZDTGQSMPWMV-MRXNPFEDSA-N 345.443 1.640 0 40 EDAB C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(N)=O 11458513 XSESQRIUTPRFRG-JQWIXIFHSA-N 338.791 1.609 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccc(-n2ccnc2)nc1)c1ccco1 48380315 ALQXOSXYJJMKGZ-CQSZACIVSA-N 325.372 1.893 0 40 EDAB Cc1ccc(CNC(=O)NCc2cccnc2N2CCOCC2)n1C 48353609 JVILSAGCIHPXCS-UHFFFAOYSA-N 343.431 1.565 0 40 EDAB O=C(O)[C@@H]1CS[C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)N1 62712263 XXSLJOJLGNERDO-VHSXEESVSA-N 335.303 1.813 0 40 EDAB O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@@]1(C3OCCO3)C=C[C@H]2O1 409305098 LVEYPUVVBVOFHI-HPTBWKMGSA-N 331.299 1.012 0 40 EDAB CNc1ccc(S(=O)(=O)NC)cc1NC(=O)c1csc(C)n1 69811251 HOCUJLQUHJBKAC-UHFFFAOYSA-N 340.430 1.654 0 40 EDAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)Cn1c(=O)ccn(C)c1=O 13008664 QPHIGBXTJQWJLF-HNNXBMFYSA-N 346.427 1.593 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 69951603 YONMRBWURSKHEC-LBPRGKRZSA-N 326.466 1.351 0 40 EDAB NC(=O)CNC(=O)c1cccc(OCC(=O)Nc2cccc(F)c2)c1 69970986 YLSXTETZPIZQIV-UHFFFAOYSA-N 345.330 1.058 0 40 EDAB CNCC1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 63159770 KJCORMRJNXJZJI-UHFFFAOYSA-N 332.853 1.969 0 40 EDAB CN1CCC[C@@H]1C(=O)N1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 93821281 ZQLAPRAHXAQCCB-OAHLLOKOSA-N 333.480 1.446 0 40 EDAB CCOc1ncnc2c1CN(CC(=O)Nc1c(C)nn(C)c1C)CC2 65463391 AKHFOTOYMCALTM-UHFFFAOYSA-N 344.419 1.222 0 40 EDAB CC(C)[C@@H](C)NC(=O)C1CCN(Cn2nc3ccccn3c2=O)CC1 65553570 GKENIGOTRQASNS-CQSZACIVSA-N 345.447 1.326 0 40 EDAB Cn1ccnc1[C@](O)(CCNC(=O)Cc1ccccc1)C(F)(F)F 65563069 WYHCCZPZNDODAK-OAHLLOKOSA-N 341.333 1.919 0 40 EDAB O=C(NC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 14137924 BJBCQRULQQIOLC-UHFFFAOYSA-N 337.445 1.645 0 40 EDAB CC(C)NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 4682214 IFDBCHKZCHHIMX-UHFFFAOYSA-N 328.434 1.667 0 40 EDAB COC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1=O 66083241 MIDYPCXYMOOLHJ-YJBOKZPZSA-N 345.399 1.211 0 40 EDAB CC(=O)c1cccc(-n2nnn([C@H]3CC(=O)[C@@H]4OC[C@H]3O4)c2=S)c1 6667739 CQTRXPWTCMYNJI-IACUBPJLSA-N 346.368 1.256 0 40 EDAB COc1cc([C@H]2N[C@@H](C(=O)O)Cc3[nH]cnc32)cc(OC)c1OC 5728262 DCGSQVPEJVYNBL-ZWNOBZJWSA-N 333.344 1.124 0 40 EDAB Cc1nnc(COC(=O)COc2ccc3c(C)cc(=O)oc3c2)o1 7743619 UCLRREGCCPHSGB-UHFFFAOYSA-N 330.296 1.915 0 40 EDAB COc1ccc(OCC(=O)N2CCN(Cc3ccccn3)CC2)cc1 19841912 YQVKFMAKSKILHE-UHFFFAOYSA-N 341.411 1.813 0 40 EDAB c1cncc(CN2CCOC[C@]3(CC[C@@H](Cn4cncn4)O3)C2)c1 306144556 ZINWGRGBKGEKEB-IRXDYDNUSA-N 329.404 1.123 0 40 EDAB NC(=O)[C@H]1CCCN1Cc1csc(CNC(=O)c2ccccc2)n1 81671192 MXKGLVORNKEBNU-CQSZACIVSA-N 344.440 1.523 0 40 EDAB COc1cccc(N2C[C@H](C(=O)NCCCOC(C)C)CC2=O)c1 8261493 QZRUFNAAGPKADA-CQSZACIVSA-N 334.416 1.979 0 40 EDAB CC1(C)Cc2ccc(C(=O)NCC3(C(N)=O)CCOCC3)c(O)c2O1 70040477 VNCMXRCBZZSPSI-UHFFFAOYSA-N 348.399 1.118 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)n1 69349737 PMVLARRVBOAHID-HNNXBMFYSA-N 330.436 1.407 0 40 EDAB Cc1ccoc1C(=O)NC1CCN(S(=O)(=O)N2CCCC2)CC1 69415390 WAABIUYLWBWUOT-UHFFFAOYSA-N 341.433 1.123 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C2 69456820 XKZWPYFUDONIQU-UHFFFAOYSA-N 348.428 1.425 0 40 EDAB O=C1CCCN1C[C@@H](NC[C@@H]1CNc2ccnn2C1)c1ccccc1 69490351 AQNQYPCTTBNBCE-NVXWUHKLSA-N 339.443 1.878 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(Cc3cscn3)CC2)cn1 71841460 OBVZGYCYGMEFRB-GJZGRUSLSA-N 331.445 1.325 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 71893691 CQALFQLKYBOYPT-ZDUSSCGKSA-N 342.399 1.470 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 71865502 UGHUOVRYDQTAFX-RDJZCZTQSA-N 344.459 1.892 0 40 EDAB CC(C)[C@@H](C(=O)NCc1cccc(CN2CCN(C)CC2)c1)N(C)C 71883694 IXWUMFQDXHYPJY-IBGZPJMESA-N 346.519 1.636 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCN(C(=O)c2ccc[nH]c2=O)CC1 71834698 SPQHAASSFDTYLV-UHFFFAOYSA-N 343.358 1.041 0 40 EDAB Cc1cc(C)c(O)c(C(=O)NCCC(=O)NCc2ccncc2)c1 71893321 YQIBTULMNICWIR-UHFFFAOYSA-N 327.384 1.840 0 40 EDAB CN(C)C1CCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 71828421 JBJPKDITJDJYAF-UHFFFAOYSA-N 344.390 1.538 0 40 EDAB Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCc1nc(C(C)C)no1 83716486 OHMWCYLGGOOZEX-GFCCVEGCSA-N 347.423 1.860 0 40 EDAB CCOC(=O)c1cc(C)sc1NC(=O)C[C@@H]1SC(=N)NC1=O 19941788 LLRJLZXHXLFWBZ-QMMMGPOBSA-N 341.414 1.728 0 40 EDAB C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 71903533 NVBLPAQTAUPSEI-IUODEOHRSA-N 347.415 1.436 0 40 EDAB CCOC(=O)[C@H](Cc1ccccc1)OC(=O)Cn1ccccc1=O 96999135 SEROFOUFFRAJNJ-HNNXBMFYSA-N 329.352 1.566 0 40 EDAB CCc1nnc(O)c(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1CC 95447897 NYSIPGZFYHIKPG-GDBMZVCRSA-N 327.384 1.695 0 40 EDAB COC(=O)[C@@]1(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)CCSC1 95444102 KDZDHYSTNFATMD-WMLDXEAASA-N 335.425 1.772 0 40 EDAB COCCN1CCC[C@@H]1CNS(=O)(=O)c1cc2ccccc2o1 79060422 QPXZLSFCYGCYLM-CQSZACIVSA-N 338.429 1.822 0 40 EDAB COCc1nc2n(n1)CCC[C@@H]2Nc1ncc(Br)cn1 95415155 XUEFMBIMTBUSGR-VIFPVBQESA-N 339.197 1.924 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3[nH]ccc3c2)cc1 74715605 QCJPOXGUQBJPMA-UHFFFAOYSA-N 329.381 1.745 0 40 EDAB CC(=O)NC[C@@H]1CN(C(=O)c2cnc(C(C)(C)C)s2)CCO1 75140605 BEIDPOLADMQHFQ-LLVKDONJSA-N 325.434 1.418 0 40 EDAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(N)=O)n2C)c1 409128435 OTVUXCCSPDRDIZ-SNVBAGLBSA-N 333.417 1.192 0 40 EDAB COc1cc2c(cc1O)CCN[C@]2(Cc1ccc(O)cc1)C(=O)O 1559564 VZDPKTWMYYCQKK-SFHVURJKSA-N 329.352 1.775 0 40 EDAB biogenic CNC(=O)CN(C)C(=O)[C@@H](c1cc(Br)cs1)N(C)C 521312460 MLQXFAVQEZVTHB-LLVKDONJSA-N 348.266 1.318 0 40 EDAB CN(Cc1cnn(Cc2ccc(F)cc2)c1)[C@H]1CCS(=O)(=O)C1 189525169 KVUPTBMHCSNTBR-INIZCTEOSA-N 337.420 1.689 0 40 EDAB COCC(=O)N1CCC[C@@H]1c1cncc(Nc2nc(C)cc(C)n2)n1 72376294 XSMKRTXOCRLWDX-CQSZACIVSA-N 342.403 1.937 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3ccccc3F)N[C@](CC)(C(=O)OC)[C@@H]2C1=O 33938623 XVWSLVWCEQQYGW-NUXNZHGMSA-N 348.374 1.413 0 40 EDAB COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(C(=O)O)c1 565303490 OERITCBPSCANTI-GFCCVEGCSA-N 330.344 1.388 0 40 EDAB CNC[C@H]1CCN(S(=O)(=O)c2ccc(OC)c3ncccc23)C1 565421320 VWTQJBQEGLTZNL-GFCCVEGCSA-N 335.429 1.473 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)[C@H]2N)cc1 218173890 YCKAMNPVQMGNAF-GVDBMIGSSA-N 331.393 1.991 0 40 EDAB Cc1cc(C(=O)N2CC(C(=O)Nc3ccc4c(c3)OCCO4)C2)no1 70811133 XHSCMIZGTUMBLC-UHFFFAOYSA-N 343.339 1.465 0 40 EDAB Cc1noc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 44455373 GFGUKLUDALDHCA-UHFFFAOYSA-N 337.279 1.755 0 40 EDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCC(=O)N1CCCCC1)O2 40808719 NWUWGHJVHYXSNF-SFHVURJKSA-N 345.399 1.213 0 40 EDAB CC(C)[C@H](NC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cn1 195555452 AHHLIFBAJDYKOK-HNNXBMFYSA-N 329.441 1.931 0 40 EDAB Cc1cn2nc(N[C@H]3CCN(C(=O)c4cc(Cl)c[nH]4)C3)ccc2n1 569834195 CFODKFFZLNTMQD-LBPRGKRZSA-N 344.806 2.346 0 40 EDAB O=C(NCc1cnc2n1CCCC2)NC[C@@H](CO)c1ccc(F)cc1 571861378 VICOBZIFHOWYNV-AWEZNQCLSA-N 346.406 1.934 0 40 EDAB CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H]1c1ccc(O)nn1 528308565 SIVMBIIBFNHBOW-QWHCGFSZSA-N 330.392 1.987 0 40 EDAB CCn1cnnc1CNC(=O)c1cc(OC)ccc1Br 47020882 WRCSLODQFCKJNQ-UHFFFAOYSA-N 339.193 1.999 0 40 EDAB O=C([C@@H]1CC(c2cnc(-c3ccccc3)nc2)=NO1)N1CCOCC1 226079318 PLSQYMREIIAURN-INIZCTEOSA-N 338.367 1.495 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 222422057 CZCGFUUYBSKBGL-RMHZUWNSSA-N 344.386 1.997 0 40 EDAB COc1ccc(CCC(=O)O)cc1NS(=O)(=O)c1ccn(C)n1 532292445 ZONDEZQCMUHOSS-UHFFFAOYSA-N 339.373 1.247 0 40 EDAB O=C(NCc1ccccn1)[C@H]1CO[C@@H]2CN(Cc3ccsc3)C[C@@H]21 96219442 IRHKZQJGMZPKCE-IXDOHACOSA-N 343.452 1.906 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@H]2[C@@H](CNc3cccnc3)CC[C@H]21 96082606 JMTPRLRXQOWECX-KBRIMQKVSA-N 339.399 1.603 0 40 EDAB Cc1ncoc1C(=O)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 96205796 WYAOCUUNVHXQOO-DYVFJYSZSA-N 329.356 1.546 0 40 EDAB CN(C)C(=O)N[C@H]1COCCC12CCN(Cc1cnn(C)c1)CC2 96216693 MSBPUCNOHHOUPR-HNNXBMFYSA-N 335.452 1.062 0 40 EDAB c1cncc(CN2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)c1 96052075 UEPOILGZIKXSFL-MSOLQXFVSA-N 328.416 1.586 0 40 EDAB CN(C)CC(=O)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 96207059 ZJTXONRSPIZIPI-WMZOPIPTSA-N 333.432 1.310 0 40 EDAB CS(=O)(=O)N1CCc2c(COCCN3CCCC3)cncc2C1 96067366 SKVBRNSBIOCTOY-UHFFFAOYSA-N 339.461 1.012 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)c(F)c1 96410782 OBZNGUJQODFJJN-HNNXBMFYSA-N 347.394 1.225 0 40 EDAB C[C@@H](CNC(=O)C(C)(C)N(C)C1CCCC1)N1CCOC[C@@H]1C 96488965 NYEIRDXYJUNHIT-GJZGRUSLSA-N 325.497 1.865 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1ccccn1 96041867 VYZGHYMJLHQNSH-YSVLISHTSA-N 327.384 1.871 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@H]2CCc3nn(C)c(=O)cc3C2)cc1 238971221 ZKTGPVLLBRIJNL-ZDUSSCGKSA-N 325.368 1.727 0 40 EDAB CC(C)N1[C@H](Cn2cncn2)C[C@@H]2CN(C[C@@H]3CCOC3)CC[C@@H]21 96185640 AWXUIIIUBATQGI-MHORFTMASA-N 333.480 1.488 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)n1 585088558 RCCKDRSWUHWZHS-OAHLLOKOSA-N 346.818 1.378 0 40 EDAB CC(C)(CCCO)CNS(=O)(=O)c1[nH]cnc1Br 585115489 CIIJBVHKJNCAQL-UHFFFAOYSA-N 340.243 1.249 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)O)C2)cc(C(=O)O)c1C 585122396 ZHXIDLGMIQPUPH-STQMWFEESA-N 341.429 1.783 0 40 EDAB CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)c2cc(C)sn2)C1 585131266 QIPFKTCYJINTSS-SNVBAGLBSA-N 334.401 1.981 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)CC 242554628 MPSWWIWTYUUGEJ-UMVBOHGHSA-N 329.393 1.234 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)c3ccc(OC)nc3)CCO2)n1 257339895 ZDPITSXMUNWYMP-CQSZACIVSA-N 328.372 1.741 0 40 EDAB OCCOc1cccc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)c1 257259603 KZBSJGNBUNIGKJ-RTBURBONSA-N 347.386 1.821 0 40 EDAB Cc1cc(N(C)C)nc([C@@H]2COCCN2CC(=O)N2CCCCC2)n1 257228763 FVDJVZSLIQGTJH-HNNXBMFYSA-N 347.463 1.237 0 40 EDAB Cc1nc(CN2CCN(C(=O)NCC(C)(C)N(C)C)CC2)cs1 43188406 KZYRFGZINLNBNX-UHFFFAOYSA-N 339.509 1.619 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)Cc2cccnc2)n1 257215399 CPYOCAWPYBVXOG-MRXNPFEDSA-N 339.399 1.414 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257214233 CLDQHBHYHBTBBP-CQSZACIVSA-N 341.371 1.372 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)COc3cccnc3)CCO2)n1 257315937 VDJPLIAMBABYER-MRXNPFEDSA-N 342.399 1.522 0 40 EDAB O=C(Cc1ccsc1)NC[C@]1(O)CCCN(c2ncccn2)C1 257235217 GWXUHVNSJQUCTH-MRXNPFEDSA-N 332.429 1.228 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2Cc2ccnc(N3CCCC3)n2)n1 257238929 HNDUPGBUHLWTTB-OAHLLOKOSA-N 328.420 1.682 0 40 EDAB CNC(=O)c1cccc([C@H]2CNCCN2C(=O)c2cccc(C)n2)c1 257215417 CPZVFRVBWXJMRC-QGZVFWFLSA-N 338.411 1.536 0 40 EDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)Cn1c(C)nc2ccccc21 257344243 ZWGDMTRSNWZQMC-INIZCTEOSA-N 339.399 1.976 0 40 EDAB Cc1c[nH]c([C@H]2CCCN(C(=O)CN3CCN(C(C)C)CC3)C2)n1 257296361 RCMKCNVZWKINTL-INIZCTEOSA-N 333.480 1.450 0 40 EDAB CCN1C(=O)CCc2cc(S(=O)(=O)NCCCOC)ccc21 252490024 KHOOOTMKXREUIA-UHFFFAOYSA-N 326.418 1.301 0 40 EDAB COC(=O)[C@@H](C)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 355132886 APVXSDUAIWUVIR-CYBMUJFWSA-N 340.445 1.299 0 40 EDAB CCCc1nnsc1C(=O)N1CCCSC[C@H]1CN(C)C 90700145 DGNRYPPSVIIXOL-LLVKDONJSA-N 328.507 2.000 0 40 EDAB C[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1ccc2ncsc2c1 650233198 CADZZUWLKXGAAK-LDYMZIIASA-N 326.399 1.923 0 40 EDAB CSc1cccc(C(=O)NCCn2nc3c(cc2=O)CCC3)c1 585150469 MGJRPKLFNYOWOS-UHFFFAOYSA-N 329.425 1.884 0 40 EDAB O=C(c1ccccc1)N1CCO[C@@H]2CN(C(=O)C3CC(F)C3)C[C@@H]2C1 585107904 DZFXYVGQEWYNCZ-ODZFXCKXSA-N 346.402 1.734 0 40 EDAB C[C@H]1CNCCN1S(=O)(=O)c1ccc(F)cc1Br 54371144 FALGVKAYRUXSBB-QMMMGPOBSA-N 337.214 1.571 0 40 EDAB CN1C[C@@H](NC(=O)CCCc2nc(-c3cccs3)no2)CC1=O 69581049 BDMQHDKLUAWKRX-JTQLQIEISA-N 334.401 1.468 0 40 EDAB COCCN1CCN(CCS(=O)(=O)c2cc(C)ccc2C)CC1 69814980 OVPLTMCSIBPWPK-UHFFFAOYSA-N 340.489 1.341 0 40 EDAB CNC(=O)NCC(=O)N1CCN(c2ccc(F)cc2F)CC[C@H]1C 1616037537 JQTRIFPSLGTWFF-LLVKDONJSA-N 340.374 1.321 0 40 EDAB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccco3)C2=O)cc1 8092316 HVOQEGQWEZEACU-UKTHLTGXSA-N 340.291 1.733 0 40 EDAB COc1ccc(-c2ccc(NCCN3CCOCC3)nn2)cc1OC 12481158 AFGSVFLIZWYSLV-UHFFFAOYSA-N 344.415 1.905 0 40 EDAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3C)C2=O)CC1 17946111 CBVAXCUXFRGPMX-MRXNPFEDSA-N 344.411 1.902 0 40 EDAB Cc1ccc(CN(C)C(=O)COC(=O)c2nc3nccc(C)n3n2)o1 18272648 OLAGOLNFTBPDGP-UHFFFAOYSA-N 343.343 1.150 0 40 EDAB O=S(=O)(O)c1ccc(-c2ccc(S(=O)(=O)O)cc2O)c(O)c1 3845657 AUGYROJVCJMCAJ-UHFFFAOYSA-N 346.338 1.258 0 40 EDAB biogenic COCCNC(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390832486 ZRCJMNFSZQVEGZ-UHFFFAOYSA-N 340.445 1.422 0 40 EDAB Cc1cc(C)nc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)n1 1888854202 IGOLAOKJQCUZBI-STQMWFEESA-N 344.394 1.609 0 40 EDAB Cc1cc(C)n(-c2cc(N3CCN(Cc4ccncc4)CC3)ncn2)n1 1889139252 RRNVEKVGNSMGGO-UHFFFAOYSA-N 349.442 1.996 0 40 EDAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2cnn(C)c2)c1 1889148768 DIGYILZOKXJAJE-PBWFPOADSA-N 335.433 1.482 0 40 EDAB Cc1csc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n1 31257436 SQOVDOKVHAMNIU-GFCCVEGCSA-N 330.413 1.511 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)cn1 2037985742 UVKXFXURZQIEHO-LJQANCHMSA-N 345.443 1.418 0 40 EDAB CC1CCC(C(=O)N2C[C@H]3ON=C(C(=O)N4CCCC4)[C@H]3C2)CC1 1565544681 QNDGABHSKUDALA-PFSRBDOWSA-N 333.432 1.648 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@]2(COCCN(c3nccs3)C2)C1 1565547110 KRANFPPXYNOIPH-INIZCTEOSA-N 347.444 1.625 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCC(=O)NCc2ccco2)cc1 10383273 PDJNJNZZNHTZMZ-UHFFFAOYSA-N 336.413 1.963 0 40 EDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2cc(C)nn2C)C1 2055750953 QMZTXAFMQONQFK-GOSISDBHSA-N 345.422 1.670 0 40 EDAB O=C(CC1CC1)N1CCC[C@@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771501 CQFAVIDBGDGUIK-GOSISDBHSA-N 330.432 1.527 0 40 EDAB O=C(NCC(F)(F)F)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713869 UAIIDVQUTATXPY-SNVBAGLBSA-N 344.337 1.360 0 40 EDAB CO[C@H](CCSC)CNC(=O)C(=O)NCc1ccc(F)cc1 1775968233 ABZVAWHIBZXEDE-CYBMUJFWSA-N 328.409 1.326 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CCC(n2ccnn2)CC1 206941005 HCGCIGSOLHZLDR-UHFFFAOYSA-N 336.417 1.621 0 40 EDAB O=C1NC2(CCOCC2)C(=O)N1Cc1cn(-c2ccccc2F)nn1 2298051610 DKVUJHMNHOLWTP-UHFFFAOYSA-N 345.334 1.007 0 40 EDAB Cn1cc(/C=C/C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c2ccccc21 73098905 IWLDQDGHBCUOEG-MYSGNRETSA-N 347.440 1.471 0 40 EDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CCc2ccccc21 40486197 ADZBFCBNRZJAFZ-HNNXBMFYSA-N 336.399 1.670 0 40 EDAB CCOC(=O)Cn1c([C@H](C)N2CCOCC2)nc2ccccc2c1=O 20445544 PVHBHFBJQPXAHC-ZDUSSCGKSA-N 345.399 1.353 0 40 EDAB O=C(c1cn(-c2cccc(Br)c2)nn1)N1CCOCC1 40505908 DHTOQBXPKYNMDI-UHFFFAOYSA-N 337.177 1.502 0 40 EDAB COCCOc1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)cn1 40541135 SJEYEDRDIVJDIQ-INIZCTEOSA-N 344.367 1.563 0 40 EDAB O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(CC(F)(F)F)C1 40508559 GUCDQARBJAZILR-SSDOTTSWSA-N 333.335 1.981 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)Nc1ccc(F)cc1OC 51612492 QMMFWBRXEWSKRB-UHFFFAOYSA-N 333.385 1.285 0 40 EDAB COc1ccc([C@]2(C)SC(NC(C)=O)=NN2C(C)=O)cc1OC 201322 FTIVBJDJHDHTCA-HNNXBMFYSA-N 337.401 1.879 0 40 EDAB CCNC(=O)CN1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 29674857 ZBAPKRZWOIJCFD-UHFFFAOYSA-N 346.406 1.734 0 40 EDAB COC(=O)c1cccc(C(=O)N(C)CCN(C)C2CCN(C)CC2)c1 69155796 AUEUVQGLJGTPAL-UHFFFAOYSA-N 347.459 1.571 0 40 EDAB CN1N=C(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)CCC1=O 32843042 DSAVAPHYWYXNLL-UHFFFAOYSA-N 342.399 1.016 0 40 EDAB CC(=O)C[C@H]1C[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](C(C)=O)[C@@H]1C(C)=O 3852632 XLWBUYJUDZPCSS-DGAVXFQQSA-N 344.371 1.070 0 40 EDAB CCOC(=O)[C@H]1[C@@H](c2cccnc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 3999671 OZEKMLJYTCPRAI-AFIMGQEJSA-N 349.383 1.248 0 40 EDAB COc1cccc(-c2noc(CNCCCN3CCOCC3)n2)c1 6590300 RRMMYFNDRLMRFE-UHFFFAOYSA-N 332.404 1.557 0 40 EDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCCCc1ccccc1 69919937 UZKLIDVJPPUGPW-GOSISDBHSA-N 341.459 1.739 0 40 EDAB CN(Cc1csc(-c2cnn(C)c2)n1)CC1CCN(CCO)CC1 75603063 MNWSAKBYWXBVPM-UHFFFAOYSA-N 349.504 1.680 0 40 EDAB Cc1cc(CN2CC[C@H]3[C@H]2CC(=O)N3CCN2CCOCC2)oc1C 107198543 ZJXUJGJFLZZNHE-ZWKOTPCHSA-N 347.459 1.404 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 52938903 SBIKYLADXMYCMW-LBPRGKRZSA-N 335.429 1.569 0 40 EDAB CCn1nc(C)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c1C 2788724 NPJFLAFCSUMOCV-UHFFFAOYSA-N 325.376 1.812 0 40 EDAB CCc1nnc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 103171942 KLYGESLNMBZOJY-RBJBARPLSA-N 346.412 1.236 0 40 EDAB CCOc1cc(CNCc2cc[nH]n2)ccc1O[C@@H](C)C(=O)N(C)C 70019992 BLNAYIDHAZNZEN-ZDUSSCGKSA-N 346.431 1.954 0 40 EDAB COC(=O)c1cc(OCC(=O)Nc2ccon2)cc(C(=O)OC)c1 12259926 XCTUEGHMMLBSKX-UHFFFAOYSA-N 334.284 1.265 0 40 EDAB Cc1ccc2c(c1)[C@]1(N[C@@H](C)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 33543071 MYNLKDKCNCJUIJ-NBBJHMQYSA-N 341.411 1.534 0 40 EDAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(C[C@@H]2CCCO2)CC1 22774290 XNEMNMSMVGCIDJ-YOEHRIQHSA-N 335.423 1.949 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)COc2cccc(Oc3ccccn3)c2)C1 53893878 KOHGFYGMQWENOY-ZDUSSCGKSA-N 341.367 1.587 0 40 EDAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)NC2CC2)CC1 22929858 SQISJZNNNRFJCX-ZDUSSCGKSA-N 348.422 1.049 0 40 EDAB Cc1cc(C)n(Cc2cccc(CNC(=O)[C@H]3COCCO3)c2)n1 54031833 RRFKECGJGBKCJH-QGZVFWFLSA-N 329.400 1.580 0 40 EDAB COC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1cn(C)c(C)n1 69381868 HYLRABUIVNGCPF-UHFFFAOYSA-N 349.412 1.657 0 40 EDAB C[C@H](NCc1ccc(F)c(CO)c1)c1ccc(S(N)(=O)=O)cc1 91404153 BXCOLSXKMCPQMW-NSHDSACASA-N 338.404 1.816 0 40 EDAB CCc1cc(C(=O)NC[C@@](C)(O)CN2CCOCC2)sc1C 76092336 SNZGQHBWMXDRPU-MRXNPFEDSA-N 326.462 1.432 0 40 EDAB CC(C)COC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 59895842 FJLVCLLLUFMUBJ-UHFFFAOYSA-N 345.443 1.986 0 40 EDAB COc1ccc(C(=O)N[C@H](C)C(C)C)cc1S(=O)(=O)N(C)C 17054903 PBCWGCDMMFCYNY-LLVKDONJSA-N 328.434 1.720 0 40 EDAB Nc1nccnc1C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 24419831 AJLCQXRFAUAOOT-UHFFFAOYSA-N 331.719 1.077 0 40 EDAB O=C(NCCNc1cnccn1)N[C@H]1CCN(Cc2ccccc2)C1 43238966 IZNDIDLWJRAIOM-INIZCTEOSA-N 340.431 1.462 0 40 EDAB CCCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 113966838 NLZCSFBMSLMDNK-UHFFFAOYSA-N 328.434 1.768 0 40 EDAB C[C@H]1CN(C(=O)c2c(I)cnn2C)C[C@@H](C)O1 17072496 IBCUXCRGJLIMAG-OCAPTIKFSA-N 349.172 1.274 0 40 EDAB CN(C)c1ccc(NC(=O)N2CCN(Cc3cscn3)CC2)cn1 56647615 ZGHIBLSGTVEOPX-UHFFFAOYSA-N 346.460 1.954 0 40 EDAB Cc1cccc(N2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)c1C 43946487 RYSZJDDFZSBPJW-HNNXBMFYSA-N 326.400 1.669 0 40 EDAB O=C(C1CCCC1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617438 IEVVAGUPSDSEKT-UHFFFAOYSA-N 346.456 1.590 0 40 EDAB O=C1CN(c2ccc(NC(=O)CCc3ccccc3F)cn2)CCN1 27261215 NBJGFBRXPWEKLC-UHFFFAOYSA-N 342.374 1.728 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 25373597 ZMKSVJLFUHWTPQ-INIZCTEOSA-N 342.461 1.330 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O 20006647 IIXUMWHRJUQFQM-AWEZNQCLSA-N 348.424 1.379 0 40 EDAB O=C1COc2cc(C(=O)NCCc3ccc4c(c3)OCO4)ccc2N1 48231802 RWMPQNJZKHSWKP-UHFFFAOYSA-N 340.335 1.719 0 40 EDAB C[C@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C[C@H](C)O1 44979778 WURJUMJKFCDSBC-CXOVXGEYSA-N 341.477 1.348 0 40 EDAB C[C@@H](NC(=O)CCCn1cnc2ccccc2c1=O)[C@@H]1CCCO1 27885152 BZCZSMADAHOPMS-CJNGLKHVSA-N 329.400 1.860 0 40 EDAB CN1CCC(NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1 58342591 YSYTYHVLERCMGL-UHFFFAOYSA-N 342.399 1.282 0 40 EDAB CCOCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20050111 AMLMIKKAAPPAGB-UHFFFAOYSA-N 334.825 1.868 0 40 EDAB COc1ccnc(NCC(=O)N2CCN(c3ccccc3)CC2)n1 58343101 RDFSTIJXQUKSQY-UHFFFAOYSA-N 327.388 1.246 0 40 EDAB CC(C)N(C(=O)COC(=O)CSc1cccc[n+]1[O-])C(C)C 3368863 HOQAGRVCJKHHBB-UHFFFAOYSA-N 326.418 1.601 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCO[C@H](C)C1 11500253 ZGBHSOVOWZCHOZ-GFCCVEGCSA-N 327.384 1.919 0 40 EDAB C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 12813954 JHYWIZISCGRVMA-KOLCDFICSA-N 348.827 1.925 0 40 EDAB O=C(c1ccoc1)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 69487258 CMGLHWPAJCAQTI-CQSZACIVSA-N 334.397 1.863 0 40 EDAB CCn1ccnc1CN1CCN(Cc2nnc(-c3ccco3)o2)CC1 69443527 PLLHTFQOQNRIAS-UHFFFAOYSA-N 342.403 1.864 0 40 EDAB CC1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccn(C)c(=O)c2)CC1 69451991 LUYXHLAVMARFRL-INIZCTEOSA-N 345.443 1.639 0 40 EDAB CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)C1 69454247 MEWOJLVJTWBCON-WBVHZDCISA-N 343.427 1.339 0 40 EDAB Cc1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)nc(N)n1 69443134 PQQLTVVVQJFCNT-CYBMUJFWSA-N 330.367 1.907 0 40 EDAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)NC(N)=O 3522141 NWNYIQQTLIHSAD-ZETCQYMHSA-N 339.808 1.811 0 40 EDAB CCc1nc(CN2C(=O)C(=O)N(c3ccc(C)cc3C)C2=O)no1 69566335 GMPGFDBBDJZYQR-UHFFFAOYSA-N 328.328 1.744 0 40 EDAB Cc1nc2c(c(C)c1CC(=O)NCc1ccccc1F)c(=O)[nH]n2C 69569753 YIVZMOQUYLUXJC-UHFFFAOYSA-N 342.374 1.876 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(CC(=O)Nc2nccs2)CC1 69655204 UMZQZRUFUSJKCF-LBPRGKRZSA-N 326.466 1.106 0 40 EDAB COc1ccc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c(C)nc2c1 17638382 CVQQDQKJBKCTDT-GFCCVEGCSA-N 334.397 1.469 0 40 EDAB CCCCNC(=O)CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O 69768975 MJZAAXGGXKWGFL-SFHVURJKSA-N 347.415 1.465 0 40 EDAB Cc1cccc(-n2c(O)c([C@H]3NCCc4ccccc43)c(=O)[nH]c2=O)c1 5123775 WDEPBCAYAKSPNF-KRWDZBQOSA-N 349.390 1.775 0 40 EDAB CCOC(=O)CNS(=O)(=O)c1ccc(F)cc1Br 13830474 NXDBOQOKPRTCBY-UHFFFAOYSA-N 340.170 1.430 0 40 EDAB O=C(CC1CCCCC1)NCCNC(=O)N1CCC[C@H](CO)C1 69810742 LIBAWKPHRSTTRO-HNNXBMFYSA-N 325.453 1.487 0 40 EDAB Cc1noc(C)c1CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 65465137 WJHLTPCLWUUAFY-UHFFFAOYSA-N 348.447 1.227 0 40 EDAB CCCc1noc([C@@H](C)n2nnc(-c3ccc(C(N)=O)cc3)n2)n1 65515551 IURWODMKCXWZRU-SECBINFHSA-N 327.348 1.384 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CCOc1ccccc1F 14136293 IQKCRSXVEKKHBY-LLVKDONJSA-N 334.399 1.731 0 40 EDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1=NN(c2ccccc2)C(=O)CC1 6757884 XICLAVRIAKVYOV-UHFFFAOYSA-N 349.350 1.978 0 40 EDAB CCCNC(=O)c1c(-n2c(=S)[nH]c3ccccc3c2=O)cnn1C 6907372 RRKZATLYNUUUPG-UHFFFAOYSA-N 343.412 1.922 0 40 EDAB O=C([C@H]1CCCN1C[C@@H](O)c1cccc(F)c1)N1CCSCC1 67117603 DRFAPGFOSNGXJU-HZPDHXFCSA-N 338.448 1.899 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)CSc2ncnc3sccc23)C1 8921660 QCBVAOGRTPIDDY-SECBINFHSA-N 336.442 1.507 0 40 EDAB Cc1ccccc1CN(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 67625121 RJOXPOPPYCOCJB-HNNXBMFYSA-N 339.461 1.560 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N(C)Cc1ccccc1C 78441289 DROXOHANTXEJMK-UHFFFAOYSA-N 327.450 1.466 0 40 EDAB C[C@@H](C(=O)NCc1cn[nH]n1)N1CCC(Cc2ccccc2)CC1 97011713 MCQGFASLEIZHDW-AWEZNQCLSA-N 327.432 1.764 0 40 EDAB Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCNC[C@H](CC(=O)O)C1 71764601 XJZHICJENFMLKJ-ZDUSSCGKSA-N 342.399 1.521 0 40 EDAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(F)cc32)co1 96484840 NEORBRJEGHVMMU-UHFFFAOYSA-N 338.360 1.872 0 40 EDAB CCNC(=O)CN1CCN(Cc2cn(C)nc2-c2ccccc2)CC1 97033830 QEBBKKXTQXRNET-UHFFFAOYSA-N 341.459 1.341 0 40 EDAB Cc1ccc(NC2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cn1 97049813 FZLNZGCJOZYKKX-UHFFFAOYSA-N 349.460 1.995 0 40 EDAB NC(=O)CCNC(=O)c1ccccc1NC(=O)c1cc(C2CC2)[nH]n1 71889049 BRKLJMSTVYWUDU-UHFFFAOYSA-N 341.371 1.145 0 40 EDAB NC(=O)[C@H](CNC(=O)c1n[nH]c2ccccc12)Cc1ccc(F)cc1 71826904 MNEWJPVFGLBHJC-LBPRGKRZSA-N 340.358 1.776 0 40 EDAB C[C@@H](C(=O)NCC1CCCCC1)[S@](=O)Cc1nnnn1C1CC1 71859158 GPXBKBGBEALWGV-RULNZOCKSA-N 339.465 1.342 0 40 EDAB Cc1ccn(-c2cccc(C(=O)N3CCN(C[C@H](C)O)CC3)c2)n1 71871368 HVKLELVORMMLLJ-HNNXBMFYSA-N 328.416 1.319 0 40 EDAB C[C@H]1CCc2c(sc3nc(SC[C@@H](O)CO)[nH]c(=O)c23)C1 19993587 YKERRRWILQSTNP-YUMQZZPRSA-N 326.443 1.555 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3C(=O)O2)no1 72299029 AYRXYQLGECVJCT-KBPBESRZSA-N 327.340 1.823 0 40 EDAB COC(=O)[C@H]1CCCN1CC(=O)NCCc1c(F)cccc1F 71907760 CYOUEZGIDMTIEZ-CQSZACIVSA-N 326.343 1.261 0 40 EDAB CN(CCN1CCOCC1)C(=O)N[C@H]1CCCOc2ccccc21 72274302 JUANGBPWXHCARE-INIZCTEOSA-N 333.432 1.874 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cc(C(N)=O)cs3)C2)n1 72235529 CQRFUTUUYODUKH-LBPRGKRZSA-N 333.417 1.533 0 40 EDAB CN(CC(=O)N1CCC[C@H](n2cncn2)C1)c1ccc(Cl)cn1 72234921 PZHSOUKVCQMZHU-ZDUSSCGKSA-N 334.811 1.626 0 40 EDAB C[C@@H](OC(=O)[C@@H](C)N(C)Cc1ccccc1)C(=O)NC(=O)NC1CC1 72290055 OVKBHIDEMFPLBI-CHWSQXEVSA-N 347.415 1.427 0 40 EDAB CC1(C)CC[C@@H](C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c2ccccc21 72290626 IRCBKKGVDTVFGA-YJYMSZOUSA-N 341.411 1.652 0 40 EDAB Cc1ccc(OC[C@H](C)NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 72274047 GUJCZTKFQGUPAV-LZLYRXPVSA-N 347.459 1.925 0 40 EDAB O=S(=O)(NCCn1ccnc1)c1ccc(Br)cc1F 97163105 BQGISNAPVDESFR-UHFFFAOYSA-N 348.197 1.763 0 40 EDAB C[C@@H]1CN(CCNCc2cn(C)nc2-c2cccnc2)C[C@@H](C)O1 97159992 QLKVNKIDFWUBLG-HUUCEWRRSA-N 329.448 1.681 0 40 EDAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C2 97198304 ZVXYAKFDAYEIIN-VXGBXAGGSA-N 339.461 1.046 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1ccc(C(F)(F)F)cn1)CC2 97198230 KSDGKTMKZLVBJF-JTQLQIEISA-N 339.321 1.999 0 40 EDAB C[C@H](CC(=O)NCCS(N)(=O)=O)c1ccccc1Br 72304059 NXINOBPGTKFGCF-SECBINFHSA-N 349.250 1.347 0 40 EDAB O=C(CN1CCn2ccnc2C1)N1CCN(c2ccccc2F)CC1 97201117 XZJFEZDJGKBZDV-UHFFFAOYSA-N 343.406 1.187 0 40 EDAB CC(C)n1ccc(CN2CCO[C@@H](CN(C)c3cccnn3)C2)n1 84633232 UCMNSFNVSHZRPB-INIZCTEOSA-N 330.436 1.591 0 40 EDAB C[C@]1(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCCC[C@H]1O 79001273 YXXXHDFRSDJJRI-JTNHKYCSSA-N 336.354 1.455 0 40 EDAB C[C@H]1c2cc(F)ccc2CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 73728138 KCDQAOWEERMHTG-ZFWWWQNUSA-N 347.434 1.682 0 40 EDAB Cc1nnc(CN(C)[C@@H]2CCN(c3c(F)cccc3F)C2=O)n1C 88537168 ZNEURZANSIHSOG-CYBMUJFWSA-N 335.358 1.639 0 40 EDAB CC[C@H](NC(=O)N1CCCN(CC(F)F)CC1)c1noc(C)n1 95980817 QCMGBURAIVMBTA-NSHDSACASA-N 331.367 1.812 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)cc1 95953779 UIOKELCZUSLMRY-INIZCTEOSA-N 329.444 1.902 0 40 EDAB COc1cncc(N2CCN(Cc3nc4c(s3)CCC4)CC2)n1 95986760 WHOYWWUUJQFNGL-UHFFFAOYSA-N 331.445 1.753 0 40 EDAB Cc1nc(CN2CCN(Cc3noc(C4CCCCC4)n3)CC2)n[nH]1 95987384 WXFULZCIQYEDRL-UHFFFAOYSA-N 345.451 1.862 0 40 EDAB COc1cc2nc(C)n(CCNC(=O)C(C)C)c(=O)c2cc1OC 85879060 AKAXQFBKDFTUKN-UHFFFAOYSA-N 333.388 1.494 0 40 EDAB biogenic Cc1cc(NC(=O)CN2CCN(c3ccncc3Cl)CC2)no1 89606716 JMMXQHJTECFKJL-UHFFFAOYSA-N 335.795 1.792 0 40 EDAB O=S1(=O)C[C@@H](NS(=O)(=O)c2ccccc2F)c2ccccc21 89857839 BPMZLBHZGUHDNK-GFCCVEGCSA-N 341.385 1.633 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)c2ccccc2-n2cnnn2)C12CCC2 89985916 ZNNNQBBIFCPLHE-LSDHHAIUSA-N 327.388 1.740 0 40 EDAB COc1ccc(S(=O)(=O)NCCCOC[C@H]2CCCO2)cc1 21699688 KBUIUIMNTLMHFM-CQSZACIVSA-N 329.418 1.559 0 40 EDAB C[C@H](C(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1nccn1C 63862009 HHBJGVOXCNUWRJ-SNVBAGLBSA-N 341.820 1.552 0 40 EDAB CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)cc1 32854305 YJBOXQLVEOAKNB-ZFWWWQNUSA-N 332.356 1.056 0 40 EDAB O=C(NC[C@H]1CCCO1)c1c(O)n2c3c(cccc3c1=O)CCC2 1321218 CZHWUEWKWJWJQJ-GFCCVEGCSA-N 328.368 1.562 0 40 EDAB biogenic CC(=O)N1CCN(C(=O)CCN[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 129801119 JDSIENFIRHLTRS-ZIAGYGMSSA-N 349.397 1.778 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2cccc(O)c2)NC(=O)N[C@]1(O)C(F)(F)F 6439216 PJNBCPGIVGWJIH-OUJBWJOFSA-N 348.277 1.176 0 40 EDAB C/C=C/C(=O)O[C@H]1/C=C/[C@@H](O)[C@H](OC(C)=O)CCC(=O)O[C@@H]1C 35458801 GXBAKQFLYWSOJH-GVEOFBPJSA-N 326.345 1.049 0 40 EDAB biogenic,in-vitro O=C(CN1CCC[C@@H](C(=O)N2CCOCC2)C1)Nc1ccccc1 32888456 OTMBXCNPVDSQOA-OAHLLOKOSA-N 331.416 1.196 0 40 EDAB CC[C@@H](C)Nc1ccc(S(=O)(=O)NCCOC)cc1C(=O)O 217596286 RIHRDNHWUHSGJI-SNVBAGLBSA-N 330.406 1.520 0 40 EDAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCCc1ccc(F)cc1F 79098687 YAXCUYQZYVBBSX-WDEREUQCSA-N 348.415 1.970 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)NCC[C@H](O)c1ccco1 72243136 UIGGREOJJAYQGX-AWEZNQCLSA-N 327.344 1.038 0 40 EDAB Cn1cc(S(=O)(=O)NCCN2CC=C(c3ccccc3)CC2)cn1 75622317 ZPFHZAQQXOMOSR-UHFFFAOYSA-N 346.456 1.488 0 40 EDAB C[C@]1(NC(=O)C[C@@H]2CCCO2)CCN(C(=O)c2cnc3n2CCC3)C1 1536757134 CFFFNJDWCLPRAP-UGSOOPFHSA-N 346.431 1.119 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)c(Br)c1 42646193 BLYAQZXLAMQQDO-SNVBAGLBSA-N 341.205 1.991 0 40 EDAB CCNC(=S)N1CCN(C(=O)c2nc3ccccc3s2)CC1 226751891 FFSMIRYRBYHYGL-UHFFFAOYSA-N 334.470 1.949 0 40 EDAB CCOCCCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225059738 JBAPRKBMBSWMFC-UHFFFAOYSA-N 346.424 1.130 0 40 EDAB CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(Cl)s2)C1 191899340 HVVKOJRZWOJASQ-SNVBAGLBSA-N 336.866 1.999 0 40 EDAB Cc1cc(F)ccc1CCNC(=O)N[C@H](C)CN1CCN(C)CC1 87137925 IALOSESAQKGWDJ-OAHLLOKOSA-N 336.455 1.612 0 40 EDAB COCCCNC(=O)Cn1cc(COc2ccc(OC)cc2)nn1 227167962 GNOPMBQYLYMWMB-UHFFFAOYSA-N 334.376 1.018 0 40 EDAB O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 44872587 SNWVUAZHVGYOMC-JTQLQIEISA-N 333.862 1.983 0 40 EDAB CCN(Cc1ccccn1)c1cc(N2CCN(C)C(=O)C2)ncn1 192334980 WLCIWAILWRFKFH-UHFFFAOYSA-N 326.404 1.177 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2O[C@@H](COCc3cccnc3)CC[C@@H]21 96064804 BPNMWBOQRMRSRS-ILXRZTDVSA-N 326.418 1.180 0 40 EDAB Cc1cc(C)nc(NCCC(=O)N2CCN(c3ccccn3)CC2)n1 95476816 PRTIHVCJMGEUOD-UHFFFAOYSA-N 340.431 1.639 0 40 EDAB c1cc(CN2CCCn3nnc(COCCN4CCCC4)c3C2)co1 96084382 HNAKGZQEPGWKCW-UHFFFAOYSA-N 345.447 1.889 0 40 EDAB CC(C)n1cc(Br)cc1C(=O)N1CC[C@@H](C(N)=O)C1 96430914 RVDMBMWFXJEROG-SECBINFHSA-N 328.210 1.779 0 40 EDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cccnc2)C1)N1CCCC1 96057616 QPCSTJMBEJVRSI-ARFHVFGLSA-N 329.400 1.324 0 40 EDAB CC(C)c1nn(C)c(Cl)c1C(=O)N1CC[C@](O)(c2cnn[nH]2)C1 583619110 HULIHJLTVFLZRX-CQSZACIVSA-N 338.799 1.049 0 40 EDAB O=C1CCCN1C[C@@H]1CN(C(=O)c2cccnc2)Cc2nccn2C1 96188446 UNLSOPXVAYSKAR-CQSZACIVSA-N 339.399 1.173 0 40 EDAB c1ccc(NCc2cnc3n2CCN(C2CCOCC2)CC3)nc1 96197124 OSVUZYAAJHZAEL-UHFFFAOYSA-N 327.432 1.927 0 40 EDAB O=C(c1ccncn1)N1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1 96209659 JDXKZOBRQRXKBY-CXAGYDPISA-N 340.387 1.142 0 40 EDAB Cc1cc(CN2CCOC[C@]3(CC[C@H](Cn4cncn4)O3)C2)oc1C 96160571 KMMAJRXHWLNABL-AEFFLSMTSA-N 346.431 1.938 0 40 EDAB CN(C)CCOC[C@@H]1CN(C(=O)c2cccn2C)Cc2ccnn2C1 96188978 NNSIYAKRCFHUIW-OAHLLOKOSA-N 345.447 1.072 0 40 EDAB Cc1cccc(CN2C[C@@H](NC(=O)c3ccno3)[C@H]3OCCC[C@H]32)n1 96185945 CCRXQBGFIVEWQO-BFYDXBDKSA-N 342.399 1.540 0 40 EDAB COCCn1ccc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccc21 95475404 QMGVZPSSJGJOII-AWEZNQCLSA-N 336.413 1.205 0 40 EDAB O=C(NCc1cccnc1)[C@]12COC[C@H]1CN(Cc1cccs1)C2 96110070 MIRBJLWPRALMIH-CRAIPNDOSA-N 343.452 1.908 0 40 EDAB COCCNC(=O)[C@H]1CN(CCc2ccccc2)C[C@H]2OCC[C@H]21 96041138 YDMDDXIVPFMXQN-OKZBNKHCSA-N 332.444 1.329 0 40 EDAB Cc1cc(CN2C[C@@H]3C[C@@H](CC(=O)N4CCCCO4)O[C@@H]3C2)no1 96217104 UNFRRYDREKDGMU-CWRNSKLLSA-N 335.404 1.516 0 40 EDAB O=C(C1CCOCC1)N1Cc2ccnn2C[C@H](CN2CCCC2)C1 247877993 USXNSANPRKVXGN-OAHLLOKOSA-N 332.448 1.364 0 40 EDAB COCCNC(=O)[C@H]1CN(Cc2sccc2C)Cc2ncn(C)c21 248000619 ALYXWFNXZZPQGE-ZDUSSCGKSA-N 348.472 1.652 0 40 EDAB O=C(COCc1cncc2c1CCN([C@H]1CCOC1)C2)N1CCCC1 247756072 ZIYBSUAPENPXTF-KRWDZBQOSA-N 345.443 1.368 0 40 EDAB CC(=O)N1[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257271819 MZXSCPFOTBODNO-MJQMVNBJSA-N 349.475 1.099 0 40 EDAB O=C(NC[C@H](O)CO)c1ccc(-c2ccsc2C(F)(F)F)cn1 585133965 LVQPUZAVNAZCSD-VIFPVBQESA-N 346.330 1.912 0 40 EDAB Cc1nc(O)cc([C@H]2CN(S(=O)(=O)c3ccccc3C)CCO2)n1 257213327 CHBLGOHPQIDNLR-CQSZACIVSA-N 349.412 1.561 0 40 EDAB CCc1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3C)CC2)no1 257252533 JVCYYVMDMCCAFQ-RDJZCZTQSA-N 345.399 1.985 0 40 EDAB O=C(COc1ccc(F)cc1)N1CCOC[C@H](Cc2ccncn2)C1 257305423 SPYGUCTXULKJOP-CQSZACIVSA-N 345.374 1.712 0 40 EDAB COc1ccccc1[C@@H]1CN(S(=O)(=O)C(C)C)CCN1C(C)=O 257227331 FOUHYTSFGQAVLM-HNNXBMFYSA-N 340.445 1.639 0 40 EDAB COc1ccc(NC(=O)[C@]23C[C@H]2CN(C)S3(=O)=O)cc1Cl 260838618 TZDWDLBVWRAMBK-SDBXPKJASA-N 330.793 1.321 0 40 EDAB O=C(CCc1ccc(C(=O)O)cc1)NC1CCN(C(=O)C2CC2)CC1 262567266 BPHHUMHYZNRTPH-UHFFFAOYSA-N 344.411 1.835 0 40 EDAB Cc1cc(C(=O)N[C@H](C(=O)O)[C@@H]2CCCOC2)ccc1-n1cncn1 262777506 LWSOAPLPIAMNGU-HIFRSBDPSA-N 344.371 1.185 0 40 EDAB O=C(O)[C@H]1Cc2ccccc2N1S(=O)(=O)C1Cc2ccccc2C1 1615582629 BUFNPLKABQDDQW-QGZVFWFLSA-N 343.404 2.000 0 40 EDAB COc1cc(F)cc(F)c1S(=O)(=O)N1C[C@H]2CCC[C@@]2(N)C1 1615622004 YMVPPEQKQPCOKS-YMTOWFKASA-N 332.372 1.475 0 40 EDAB CCN(CC)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C1 1615617279 ZVYQZQXAAFDMKY-UWVGGRQHSA-N 345.387 1.202 0 40 EDAB Cc1cc(C)nc(O[C@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 390828866 UZXCHNYFYUGAQQ-LBPRGKRZSA-N 339.442 1.997 0 40 EDAB O=C(c1cc[nH]n1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575414629 FRKDLEBMIGDLJB-GFCCVEGCSA-N 325.415 1.473 0 40 EDAB CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 575425675 GTCBOXGLJGJCIG-HNNXBMFYSA-N 345.486 1.891 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)Nc1nnc(C3CC3)n1C)C2 585113356 SKIIEYVYDORJLC-LBPRGKRZSA-N 328.372 1.891 0 40 EDAB COCc1ncc(C(=O)Nc2nc(-c3cnn(C)c3)ns2)s1 900796029 QMEOTXXVDFOUBC-UHFFFAOYSA-N 336.402 1.794 0 40 EDAB Cc1cnc(-c2cncc(C[C@@H]3CCCN(S(C)(=O)=O)C3)n2)[nH]1 585178905 KEOYOTQRFJESBB-LBPRGKRZSA-N 335.433 1.389 0 40 EDAB O=C(COc1cccc(Cl)c1)N1Cc2ccnn2CC[C@@H]1CO 585096749 CBAYWAILCRZAPF-CQSZACIVSA-N 335.791 1.709 0 40 EDAB Cc1cccc(CN2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)c1 585105289 SHQGPYPRANXKCW-MRXNPFEDSA-N 338.473 1.525 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)N(Cc2ccsc2)C2CC2)CC1 44446614 RJDVETPGVRBRSQ-UHFFFAOYSA-N 342.486 1.911 0 40 EDAB C[C@@H](C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1)n1cncn1 548677325 STNYSTFZGYNVKD-RDJZCZTQSA-N 342.447 1.747 0 40 EDAB Cn1[nH]c(C2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)nc1=N 1614423201 MCOJGYKOCOCKID-UHFFFAOYSA-N 339.447 1.768 0 40 EDAB O=C(O)CCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O 1549184537 YHHCZEGTBBCKHT-ZDUSSCGKSA-N 331.409 1.924 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1 12946569 GDWYYDWGWUBRMH-UHFFFAOYSA-N 338.429 1.378 0 40 EDAB Cc1cc(NC(=O)CSCC(=O)Nc2nnc(C)s2)no1 13005949 OINRTUNSTAZGLL-UHFFFAOYSA-N 327.391 1.453 0 40 EDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCC(C)C)[C@H]4C2=O)no1 13627061 KLFYJWOZWHIGPW-OYUZRVEBSA-N 345.399 1.432 0 40 EDAB CNC(=O)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 16016017 XLHMZRZLCUDRBV-UHFFFAOYSA-N 336.351 1.395 0 40 EDAB CS(=O)(=O)c1cccnc1[C@H]1CCCN(C(=O)c2ccccn2)C1 19573516 SWZRTEPGUKJDBY-ZDUSSCGKSA-N 345.424 1.900 0 40 EDAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 169333361 NLZNOCHSXSJILW-ZFRZLUBXSA-N 334.372 1.257 0 40 EDAB CS(=O)(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 23145092 FYHBGTQNWXRTDV-UHFFFAOYSA-N 343.499 1.949 0 40 EDAB O=S1(=O)CC[C@@H](CN2CCC(COc3ncccn3)CC2)C1 1888853037 UDPMVVXJZMPWJE-AWEZNQCLSA-N 325.434 1.002 0 40 EDAB Cc1cc(OC2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)ccn1 1889205593 UKKDWGQDKHZCFA-UHFFFAOYSA-N 346.408 1.777 0 40 EDAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1ccon1 1848354206 SGCAKSFZPURFSW-UWIFEVILSA-N 349.431 1.725 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](C3CC3)N(C)C)cn2)n1 40555208 GTQAKXUJAATVCI-MRXNPFEDSA-N 327.432 1.954 0 40 EDAB O=C1CO[C@]2(CCCN(Cc3cnc[nH]3)C2)CN1c1ccc(F)cc1 2037839716 BIJLUMIVWHUNIY-SFHVURJKSA-N 344.390 1.947 0 40 EDAB COc1ccc(CN2CCO[C@@]3(CO[C@@H](C(=O)N(C)C)C3)C2)cc1 2056225800 CBOPZMYTDRVXCE-SJLPKXTDSA-N 334.416 1.143 0 40 EDAB Cc1nnc(N2CCC[C@]3(CN(C(=O)C4(F)CCC4)CCO3)C2)o1 1565546826 ASLJUBSDWRQJCQ-HNNXBMFYSA-N 338.383 1.468 0 40 EDAB COc1cc(C(=O)N2C[C@@H]3CCN(Cc4cccnc4)[C@@H]3C2)on1 1565542659 SZBQKNMOWLYWOL-UONOGXRCSA-N 328.372 1.425 0 40 EDAB O=C(C1CC(O)C1)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1 1565545248 YJSBDOBNVMUXRP-UHFFFAOYSA-N 343.427 1.336 0 40 EDAB CC1CCN(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)CC1 4304778 QFMQAWCJUYGQGQ-UHFFFAOYSA-N 335.429 1.698 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H]2COC3(CCCC3)O2)cc1F 10220562 GCRAMTCIMNJZFY-NSHDSACASA-N 345.392 1.798 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2ccc(C)s2)C1 2055772348 AZBZWDHIHCDJOW-MRXNPFEDSA-N 332.429 1.631 0 40 EDAB Cc1ccc(C(=O)N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CC3)C2)cn1 2055718089 HVLRPHNJOSJRMT-HRCADAONSA-N 329.400 1.146 0 40 EDAB CSCC[C@@H](O)CNS(=O)(=O)c1ccc(-n2cccn2)cc1 1775967360 OBZCUBBAJXZTFS-CYBMUJFWSA-N 341.458 1.265 0 40 EDAB COc1cccc(CC(=O)NCC2CCN(S(C)(=O)=O)CC2)c1 43979735 UBHFEQWPBATUJA-UHFFFAOYSA-N 340.445 1.026 0 40 EDAB CCOc1ccc(C(=O)NCc2nccnc2-c2cnn(C)c2)cn1 575619254 KEBWACCLDUEGJS-UHFFFAOYSA-N 338.371 1.601 0 40 EDAB CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 40476466 MKYUSHQCHCTYDN-LBPRGKRZSA-N 329.393 1.629 0 40 EDAB Cc1ccc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)s1 51098041 MVEBDPOKIJFQIU-UHFFFAOYSA-N 330.475 1.295 0 40 EDAB CC[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CCO1 51083513 OETLNDNRYBLZKC-ZFWWWQNUSA-N 332.400 1.634 0 40 EDAB O=C(CS(=O)(=O)c1cccc[n+]1[O-])Nc1ccc2c(c1)CCC2 40555227 CCNUNCCFUMZPJS-UHFFFAOYSA-N 332.381 1.221 0 40 EDAB O=C(CCCc1nnc(-c2ccccc2)o1)N[C@H]1CCS(=O)(=O)C1 40523567 XKOVPQVGJGJKFE-ZDUSSCGKSA-N 349.412 1.363 0 40 EDAB Cc1nnc2ccc(N3CCC[C@@H](C(=O)NCc4ccco4)C3)nn12 32093942 URQZLJRHRBVHSK-CYBMUJFWSA-N 340.387 1.559 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)N[C@@H](C)[C@@H]3CCCO3)ccc2c1=O 32638574 NPTUTABJEKDIKU-NHYWBVRUSA-N 345.399 1.568 0 40 EDAB Cn1c(C(=O)NCCCN2CCC[C@@H]2C(N)=O)cc(Cl)c1Cl 69622868 ZPSFZLRAWFHBCJ-SNVBAGLBSA-N 347.246 1.402 0 40 EDAB NC(=O)[C@H](CNS(=O)(=O)c1cccs1)Cc1ccc(F)cc1 69631517 KGUBTQZAQDPPMH-NSHDSACASA-N 342.417 1.510 0 40 EDAB CCOC(=O)[C@H]1C(=O)O[C@@]2(CCOC(C)(C)C2)[C@@H]1C(=O)OCC 1225598 WJYLFABUDRLBIA-XMZIXOGTSA-N 328.361 1.230 0 40 EDAB COCCCn1nnnc1SCC(=O)Nc1cccc(C(C)=O)c1 4883442 UMFMSAFALQPQII-UHFFFAOYSA-N 349.416 1.643 0 40 EDAB O=C(NC1CCN(CC(=O)N2CCOCC2)CC1)C1CCCCC1 4908509 DWXQLQXERRDOQH-UHFFFAOYSA-N 337.464 1.006 0 40 EDAB CC(C)Cn1c(S[C@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 6049636 AWNWIKWJZBKOKO-SNVBAGLBSA-N 348.428 1.728 0 40 EDAB C[C@H](NC(=O)NC(C)(C)c1ccc2c(c1)OCCO2)c1nncn1C 69775970 KONKNRFAZYEIHL-NSHDSACASA-N 345.403 1.882 0 40 EDAB O=C(Nc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1 8298365 APOMESVZCKLZCL-XYPHTWIQSA-N 341.415 1.120 0 40 EDAB biogenic,in-vitro Cn1ccnc1CN1CC[C@@]2(C[C@@H](OCc3cccnc3)CO2)C1 107785430 AOZJSEPMBDIKKW-SJLPKXTDSA-N 328.416 1.765 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)[C@@H](C)OC[C@@H]1CCCCO1)C2 69741180 KSMRJPBCTYWHJO-KGLIPLIRSA-N 336.436 1.718 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 41448408 QHJPUCPBXFIJKA-CQSZACIVSA-N 348.424 1.838 0 40 EDAB C[C@H]1C(=O)NCCN1S(=O)(=O)Cc1ccccc1C(F)(F)F 71904716 QFZMCDITKMPFFL-VIFPVBQESA-N 336.335 1.356 0 40 EDAB Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1 104336046 MJRDIJXZTKKXKI-BHYGNILZSA-N 342.420 1.711 0 40 EDAB Cn1cc(C(=O)N2CC[C@H](C(N)=O)C2)c(-c2coc3ccccc23)n1 54080529 XCOPZSMTIORPIC-NSHDSACASA-N 338.367 1.781 0 40 EDAB C[C@@H](NC(=O)N(C)C[C@H]1COc2ccccc2O1)c1nncn1C 46962224 UKPVVHJJAMCSIV-NEPJUHHUSA-N 331.376 1.358 0 40 EDAB CCOc1ncccc1NC(=O)Nc1cnn(CC(=O)N(C)C)c1 71793556 RGTATMFHXDNQHM-UHFFFAOYSA-N 332.364 1.409 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)c1cc2ccccc2c(=O)[nH]1 71820913 AGOJGTWSBXWBLV-UHFFFAOYSA-N 346.350 1.434 0 40 EDAB C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)CC(N)=O 71853386 YYMUTKXATRUBFC-ZETCQYMHSA-N 333.157 1.299 0 40 EDAB O=C1CCN(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)CCN1 105182534 IHEIMFSFRULXRT-UHFFFAOYSA-N 349.406 1.405 0 40 EDAB COc1ccccc1NC(=O)Cc1noc(CN2CCO[C@@H](C)C2)n1 24177885 PHFWAYBOWMUACA-LBPRGKRZSA-N 346.387 1.480 0 40 EDAB COc1ccc(F)cc1CN1CCN(C(=O)c2cnccn2)CC1 24385733 RECPARCTEWTCQT-UHFFFAOYSA-N 330.363 1.582 0 40 EDAB Cn1cnnc1C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 24695383 ZQZJNMQLMIHZMX-UHFFFAOYSA-N 328.372 1.606 0 40 EDAB C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCOCC1 24682583 BNVPZPBFDWJJFR-AWEZNQCLSA-N 338.473 1.564 0 40 EDAB Cc1cnc(N2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1 107230370 ZFWGPWGUXKTTEG-YJBOKZPZSA-N 346.431 1.019 0 40 EDAB CN(C)c1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccn1 47571136 UPYQXGAASCTKDV-CQSZACIVSA-N 342.399 1.406 0 40 EDAB O=C(CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(-n2cncn2)cc1 106835660 QIMYUHJBZJYCAB-HEHGZKQESA-N 339.399 1.758 0 40 EDAB CC[C@H](C)[C@H](C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)c1ccccc1 106914550 ZFHXJNOYDTUQIG-YEWDVWPNSA-N 329.400 1.627 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1Cc1ccc(F)cc1 55999279 SRINCPCFSRRRGJ-HIFRSBDPSA-N 325.405 1.794 0 40 EDAB CC(C)[C@H](C(=O)N1CCN(C(=O)C2CCC2)CC1)N1CCCCC1 69922382 KCWVHESNDMFBRE-QGZVFWFLSA-N 335.492 1.968 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2nc3ccccc3o2)CC1 26100405 ZBMAWHIHNKDKHC-VOTSOKGWSA-N 349.412 1.381 0 40 EDAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@@H](C)CO)c2)n1 57588669 SXSLBUKMVUZKCO-NSHDSACASA-N 332.360 1.551 0 40 EDAB COC(=O)CCCN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 47878887 DQVKTPQRXRNXFS-UHFFFAOYSA-N 335.809 1.922 0 40 EDAB CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)CCO1 69927252 LPWLFVFWMGORGC-ZACQAIPSSA-N 337.464 1.099 0 40 EDAB C[C@@H](NS(=O)(=O)N1CCOCC1)c1ccc(-n2ccnc2)cc1 58250872 WOQAZIUAODSAEE-CYBMUJFWSA-N 336.417 1.100 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@H]2C(=O)NCc2ccco2)no1 27141709 HPUVTIRGHHXJKK-ZDUSSCGKSA-N 332.360 1.295 0 40 EDAB C=CCN1C(=O)C(=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 10130653 IPLOWEDIDUZLRK-UHFFFAOYSA-N 325.324 1.023 0 40 EDAB COc1ccc2c(c1)CN(C(=O)Cn1cnc3ccccc3c1=O)CC2 58179741 ZAXFUFWMXNEUTC-UHFFFAOYSA-N 349.390 1.990 0 40 EDAB CN1CCC(CCNC(=O)c2cccc(CN3CCOCC3)c2)CC1 110679241 IHNVVUUVWSCBAH-UHFFFAOYSA-N 345.487 1.981 0 40 EDAB Cn1cnnc1CNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 58214550 MFHHIIYAIGUJEM-VXGBXAGGSA-N 335.205 1.998 0 40 EDAB COC(=O)[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(C)C 2116255 HVHUPLKHSHAJIC-QGZVFWFLSA-N 347.367 1.794 0 40 EDAB biogenic COCCN1CCCN(C(=O)Cc2csc(C(C)C)n2)CC1 44953592 OOIPCNNXRLTUQH-UHFFFAOYSA-N 325.478 1.990 0 40 EDAB COc1cccc(CCNC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1 44952746 AIHWZDHSJAQFCM-OAHLLOKOSA-N 340.445 1.168 0 40 EDAB Cn1cc([C@H](O)CNC(=O)NCC(C)(C)c2cccc(F)c2)cn1 76087798 FAMGDZDFKDJVPP-OAHLLOKOSA-N 334.395 1.870 0 40 EDAB CN1N=C(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)CCC1=O 44915389 XIMSBDBCSDLNIS-GFCCVEGCSA-N 337.763 1.580 0 40 EDAB O=C(NCCCn1cccn1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 44968414 IUXHRNZCBUEMGZ-IYBDPMFKSA-N 336.436 1.643 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)c3cc(C4CC4)[nH]n3)cn2)CCO1 44939164 FLEXFLUAFQRHEZ-GFCCVEGCSA-N 341.415 1.837 0 40 EDAB CN(C)c1cc(CNC(=O)CCS(=O)(=O)C2CCCC2)ccn1 48103644 SLZDHGFMOCAAQM-UHFFFAOYSA-N 339.461 1.511 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)Cn1nnc(COc2ccccc2)n1 48262837 VSCQCAOLPNKHJG-AWEZNQCLSA-N 345.403 1.137 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)CC[C@@H]3CCCO3)cn2)CC1 48251571 VLFBOEJHRPZYSF-KRWDZBQOSA-N 346.475 1.799 0 40 EDAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21 2353058 CKMRYSWVCGZBLN-UHFFFAOYSA-N 330.365 1.883 0 40 EDAB Cc1occc1-c1nnc(SCc2nc(N)nc(N(C)C)n2)o1 12724811 HPKVEJHSZMBGJA-UHFFFAOYSA-N 333.377 1.764 0 40 EDAB CCn1c(CNS(=O)(=O)c2cn(C)c(C)n2)nc2ccccc21 69846225 VAUFWUPSQSJJKC-UHFFFAOYSA-N 333.417 1.577 0 40 EDAB NC(=O)NCCCCNC(=O)COc1ccc(Br)cc1 76017386 IRIQZISVWGCNHU-UHFFFAOYSA-N 344.209 1.393 0 40 EDAB Cn1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 12981138 UAVRVMUWWNCZOX-LLVKDONJSA-N 342.355 1.183 0 40 EDAB NC(=O)[C@H]1CN(S(=O)(=O)c2cccc(F)c2)c2ccccc2O1 13015885 WNCAFOHZAZNSIO-CQSZACIVSA-N 336.344 1.267 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1O 13012417 GSLYHWUPNHVDDK-QMMMGPOBSA-N 334.191 1.072 0 40 EDAB Cc1oc2ncn(CC(=O)N3CCC[C@H](C)C3)c(=O)c2c1C(=O)O 13056279 UZPQCDDZGGAAEO-VIFPVBQESA-N 333.344 1.255 0 40 EDAB C[C@@H](CCN1CCCC1=O)NC(=O)c1ccccc1Cn1cncn1 76065756 QHXVQRVDZAODEP-AWEZNQCLSA-N 341.415 1.457 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)c2nonc12)c1cccnc1 13327019 MENDPSPCIDXZKU-UHFFFAOYSA-N 325.328 1.707 0 40 EDAB CN1C[C@@H](C(=O)N2CCC[C@H](c3cc(C(F)(F)F)[nH]n3)C2)CC1=O 76059765 YIJJEHKNASZCON-UWVGGRQHSA-N 344.337 1.613 0 40 EDAB CCN1CCN(CCNC(=O)Nc2ccc(N3CCCC3)nc2)CC1 65577992 NBNXLUSUVQDUED-UHFFFAOYSA-N 346.479 1.441 0 40 EDAB COc1cc(C(=O)OCC(=O)N(C)C)cc(Br)c1O 14118418 OCGSDGNAIIEYEK-UHFFFAOYSA-N 332.150 1.408 0 40 EDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(C)c1 4505459 NEZSDYOWWNSHED-GFCCVEGCSA-N 347.458 1.201 0 40 EDAB CCCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccccc31)C2=O 19323301 OUWUWLKSHNGJSL-UHFFFAOYSA-N 325.412 1.798 0 40 EDAB biogenic CCN(CC)S(=O)(=O)CCNC(=O)N(C)[C@@H](C)c1ccccn1 71883622 AGXMCBNZWSRNGX-ZDUSSCGKSA-N 342.465 1.456 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)CC2(CC(=O)O)CCCC2)c1 4948762 QUSVCEXESWFGTP-UHFFFAOYSA-N 340.401 1.698 0 40 EDAB CCCNC(=O)CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 80058038 QTNKJPMIDHMRJG-ZDUSSCGKSA-N 338.839 1.744 0 40 EDAB Cc1cc2ncn(C[C@@H](O)CN3CC(n4cccn4)C3)c2cc1C 71877103 HDJVWUPTAHXISP-INIZCTEOSA-N 325.416 1.767 0 40 EDAB COCCNC(=O)CN1CCN(C(=O)Nc2cccc(C)c2C)CC1 71911683 QJTKTUDTUVQEGS-UHFFFAOYSA-N 348.447 1.216 0 40 EDAB CCc1ccsc1C(=O)NCC(C)(C)N1CCS(=O)CC1 71907628 QLKOFPXNPMALNN-UHFFFAOYSA-N 328.503 1.883 0 40 EDAB O=S(=O)(c1cccc2cnccc12)N1CCC(c2nc[nH]n2)CC1 81078105 ODJJYKPJULWYFL-UHFFFAOYSA-N 343.412 1.921 0 40 EDAB CCc1ccc(NC(=O)CN2C(=O)NC3(CCOCC3)C2=O)cc1 68639376 YXYQSFCAYJQGCW-UHFFFAOYSA-N 331.372 1.289 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1ccc(-n3cnnc3)cc1)C2 71860291 RIWHXMHHBSLBLN-UHFFFAOYSA-N 349.398 1.688 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2nc3nccc(C)n3n2)c1 71869748 GGBGUMAOTAPNMD-CYBMUJFWSA-N 325.376 1.242 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc(-n2cccn2)cc1 71829562 JJDCGSBDIOOZRI-DZGCQCFKSA-N 326.400 1.527 0 40 EDAB COc1ccccc1[C@@H]1CCCN1C(=O)CN(C)S(C)(=O)=O 68807902 JIPPHDXBSYDTQA-ZDUSSCGKSA-N 326.418 1.250 0 40 EDAB C[C@H](C(=O)c1ccc(F)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 8012061 IFKPZENNGWTUOX-SECBINFHSA-N 330.319 1.017 0 40 EDAB CCN1CCN(C(=O)CC2CCN(C(=O)c3ocnc3C)CC2)CC1 81690131 JNASOTLZUCENAK-UHFFFAOYSA-N 348.447 1.389 0 40 EDAB Cc1ccc(N2CCC[C@H](NCCC(=O)Nc3cc(C)on3)C2)nn1 71859774 OHJGKBVHADRUBX-AWEZNQCLSA-N 344.419 1.669 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)[C@@H](c2ccccc2)N2CCCC2)CC1 71875840 MYZOZYSLZRDLOX-SJLPKXTDSA-N 331.460 1.349 0 40 EDAB CCOC(=O)CC[C@H](NC(=O)c1cccnc1OC)C(=O)OCC 72288587 KLORKDAQDFAEFA-LBPRGKRZSA-N 338.360 1.095 0 40 EDAB CN(C(=O)CNc1ccc(C(=O)N2CCC(CO)CC2)cc1)C1CC1 72296252 SSHSCOGGNPMMRT-UHFFFAOYSA-N 345.443 1.564 0 40 EDAB Cc1csc(NC(=O)CN(C)Cc2nc3ccsc3c(=O)[nH]2)n1 97161866 WTDLYJOJNCVVOC-UHFFFAOYSA-N 349.441 1.820 0 40 EDAB O=C(NCCCO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 97176035 KLWBMNOLZQOYDH-UHFFFAOYSA-N 338.363 1.595 0 40 EDAB C[C@H](NC(=O)C1=CCCC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 97227972 KPRFTZOITHGZLM-NSHDSACASA-N 325.372 1.654 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1cccc(CC(=O)NC2CC2)c1 72400893 ZZDYSHWUQWMHBG-HUUCEWRRSA-N 330.384 1.803 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC3(CCCCC3)C2)C1=O 78876620 PXMWZXLOCDAAAN-MRXNPFEDSA-N 336.436 1.394 0 40 EDAB O=C1NCCN(Cc2cc(=O)n3ccsc3n2)[C@H]1c1cccs1 72799159 FUKBNWCQNIVLMW-ZDUSSCGKSA-N 346.437 1.491 0 40 EDAB C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(CNS(C)(=O)=O)o2)C1 84691679 LIMITAPCMQGTIE-RYUDHWBXSA-N 328.434 1.980 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(C(C)(C)C)nn2C)C[C@H]1N1CCOCC1 84736028 JUBBPSOSNFOZTD-GDBMZVCRSA-N 348.491 1.900 0 40 EDAB CNS(=O)(=O)c1cc(-c2nc(Cc3ccc(F)cc3)no2)co1 95439320 FNPLVVXWIHPTSC-UHFFFAOYSA-N 337.332 1.968 0 40 EDAB CN(C)CCOCCNC(=O)c1cccc(OCc2cccnc2)c1 95465025 VNAGBELEIDBMOQ-UHFFFAOYSA-N 343.427 1.969 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@@H]1N(C)C 78895691 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0 40 EDAB COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 409055872 JWNVGKAMARRPQR-FOCJUVANSA-N 335.743 1.154 0 40 EDAB COC[C@@H]1CN(C(=O)C[C@H]2COc3cc(OC)ccc32)C[C@H](C)O1 527134906 GBGXPRUCCMVSHK-YDHLFZDLSA-N 335.400 1.824 0 40 EDAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccn2C)C3)C1 72335614 XJJAFRWAEQZFFI-AWEZNQCLSA-N 341.459 1.903 0 40 EDAB O=C1COc2c(cccc2C(=O)N2CCN(c3ccncc3)CC2)N1 78498274 LIAIREKUOPSVNE-UHFFFAOYSA-N 338.367 1.375 0 40 EDAB O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N[C@@H]1C[C@H]1c1cccc(F)c1 181531163 GSSJIMQEMUMMIR-KNXALSJPSA-N 331.391 1.992 0 40 EDAB CC[C@@H](C)NC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1 35312027 XHMGHRVRJFUZNW-CYBMUJFWSA-N 328.420 1.793 0 40 EDAB COCCNc1cc([C@@H]2CN(Cc3noc(C)n3)CCO2)nc(C)n1 72387781 SHNYAXHEANOPBE-AWEZNQCLSA-N 348.407 1.108 0 40 EDAB Fc1ccc(OCc2nn3c(CN4CCOCC4)nnc3s2)cc1 36357164 OWHHQCAQZZQOGX-UHFFFAOYSA-N 349.391 1.736 0 40 EDAB O=C1CCCCCN1CCNS(=O)(=O)c1ccc(F)cc1F 32443841 JMWDFPXWRKQIOA-UHFFFAOYSA-N 332.372 1.646 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)N(Cc1cn3ccsc3n1)CC2 72661463 RTEUOPJHDJVARR-UHFFFAOYSA-N 334.426 1.606 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)Nc3ccon3)CC2)C1 183523410 MIDSILJLJMREPP-OKILXGFUSA-N 349.435 1.329 0 40 EDAB Cn1cc(-c2nnc(N3C[C@@H]4CCC[C@@H]43)n2C[C@H]2CCCO2)cn1 566396692 FSLGWJDZHCLLPI-CFVMTHIKSA-N 328.420 1.846 0 40 EDAB COC(=O)CS[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C)c2)C1 217567173 ATKFHEWYVUGDDW-NSHDSACASA-N 347.433 1.803 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c1nc(N)n2Cc1ccc(Cl)c(Cl)c1 72226864 JMIPGDDKXXOJBK-UHFFFAOYSA-N 340.170 1.361 0 40 EDAB Cc1cccc(Nc2cncc([C@H]3CCCN(C(=O)CO)C3)n2)n1 72354363 RVUKGTZPUNQIIC-ZDUSSCGKSA-N 327.388 1.622 0 40 EDAB COc1ccccc1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238829698 FPPUILZSJZJCHV-KBPBESRZSA-N 340.379 1.471 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)/C=C/c2cccs2)CC1 43979618 PIFCXMFOOMJMMP-SNAWJCMRSA-N 328.459 1.549 0 40 EDAB CCO[C@@H](C)c1nc(CN2CCN(C(=O)c3cc[nH]n3)CC2)cs1 80804586 MTHQWKCQFUIQLV-LBPRGKRZSA-N 349.460 1.922 0 40 EDAB O=C(COc1ccn(-c2ccccc2)n1)NCCC(=O)NC1CC1 227150377 BZURUYQGDWJODU-UHFFFAOYSA-N 328.372 1.036 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)cc1Cl 577465306 AFRJTJXLQAQYDZ-LLVKDONJSA-N 349.792 1.131 0 40 EDAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@@H](O)C(F)(F)F)C1=O 97378053 XBGVSAFPWCQZSH-IUODEOHRSA-N 342.317 1.866 0 40 EDAB O=C(c1ccoc1)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 96202316 COQQNTNQRNHGJY-QGZVFWFLSA-N 328.372 1.439 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)NC[C@@](C)(O)c3ccco3)cc12 96434044 MGKJOWPPIARPQQ-MRXNPFEDSA-N 329.360 1.899 0 40 EDAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(Cc1ccoc1)CC2 96199837 DEWJMHPUPLNMOE-INIZCTEOSA-N 328.416 1.994 0 40 EDAB O=C(Cc1cccs1)N1CCc2ncc(Cn3cccn3)n2CC1 96067914 IPPRQVKYTIOWOJ-UHFFFAOYSA-N 341.440 1.817 0 40 EDAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc(C)c(F)c1 96186249 PHXJPJPHDUGKAL-HZPDHXFCSA-N 334.391 1.986 0 40 EDAB CCn1nc(C)cc1C(=O)N1C[C@H]2OC[C@@H](c3nc(C)no3)[C@H]2C1 96209617 MJDCBXQTYPZYOG-YRGRVCCFSA-N 331.376 1.157 0 40 EDAB C[C@@H](CNC(=O)C(=O)Nc1ccc2ncccc2c1)N(C)C1CC1 96410752 RYEIOBSLAYNXGZ-LBPRGKRZSA-N 326.400 1.772 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(c1ncccn1)C2)NCc1cccs1 96207449 OOISUGPTBYTZIR-DYVFJYSZSA-N 344.440 1.697 0 40 EDAB c1cnn(CCCO[C@H]2CN(CC3CCOCC3)[C@@H]3CCCO[C@H]23)c1 97953597 WZEDWTFUDBCRNK-QYZOEREBSA-N 349.475 1.948 0 40 EDAB CN(C)C(=O)N1Cc2ncn(C)c2[C@@H](COCC2CCOCC2)C1 96045015 DUOVXHLJKSKMJU-CQSZACIVSA-N 336.436 1.444 0 40 EDAB Cc1cnc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3CC2)cn1 96255209 IQRFYHFBYZKTGR-UHFFFAOYSA-N 349.398 1.217 0 40 EDAB CC(C)CCC(=O)N1CC[C@]2(COCc3cnc(N(C)C)nc32)C1 96244062 TVLGQGCBYZWYNI-GOSISDBHSA-N 332.448 1.979 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CCN(c1cccnc1)C2=O 96157885 XCONXNSGVJINIH-UHFFFAOYSA-N 325.416 1.834 0 40 EDAB CN([C@H]1CCc2ccccc2C1)S(=O)(=O)c1cnn(CC(=O)O)c1 581664819 FMQJLZLGBMGXLG-AWEZNQCLSA-N 349.412 1.146 0 40 EDAB O=S(=O)(c1cccc2ccccc12)N1CC[C@](O)(c2cnn[nH]2)C1 583616290 CDDLMIDWYVLZOM-MRXNPFEDSA-N 344.396 1.240 0 40 EDAB Cc1cnc(C(=O)N2C[C@@H]3COC[C@]3(COc3cccnc3)C2)cn1 96209005 LNLDNQLGGGXZAZ-KDOFPFPSSA-N 340.383 1.348 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(C(=O)c3ccco3)Cc3nccn3C2)n1 96188711 YTSBLPBBMNIAPO-AWEZNQCLSA-N 340.387 1.657 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cn1 1594174333 KYJAZLRRJTWFJU-ZDUSSCGKSA-N 334.353 1.041 0 40 EDAB CN(C)c1nccc(N2CCO[C@H]3CN(c4ccccn4)C[C@H]32)n1 96081827 HWJXEVQDDLKWRT-KGLIPLIRSA-N 326.404 1.032 0 40 EDAB CCn1nnc2c1CCN(C(=O)COC)[C@@H]2COCc1ccccc1 96198502 JRHRPLALFOCQRL-MRXNPFEDSA-N 344.415 1.587 0 40 EDAB O=C(c1cscn1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 96202260 VSVIMNCIAPIWSE-KRWDZBQOSA-N 344.440 1.907 0 40 EDAB CC(C)COc1ccccc1NC(=O)N1CCn2nnc(CO)c2C1 585086480 MXFZQSNCGRRLGV-UHFFFAOYSA-N 345.403 1.853 0 40 EDAB O=C(NCc1nnc(O)n1C1CC1)c1cc(F)c(F)c(F)c1F 585126964 MIDPSPNNRBRNLE-UHFFFAOYSA-N 330.241 1.805 0 40 EDAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3ccc(=O)n(C)c3)C2)n1 257259627 KZFONGVEOJZKHH-MRXNPFEDSA-N 340.427 1.830 0 40 EDAB CN(C(=O)c1ccnc(Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 257317080 VIHGNIDNRBFKGM-QGZVFWFLSA-N 344.436 1.932 0 40 EDAB O=C(CCn1ccccc1=O)N1CCC[C@H](c2ccnc(O)n2)C1 257329450 XKBFBIOGSRAODQ-ZDUSSCGKSA-N 328.372 1.140 0 40 EDAB CCOc1nccn2c(CNC(=O)C3(c4ccccc4)CC3)nnc12 253471993 HJKQEIDWVQKTLX-UHFFFAOYSA-N 337.383 1.871 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1 257293887 QRPRCGYQRAPKOD-GFCCVEGCSA-N 334.401 1.146 0 40 EDAB CC(=O)NCC(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2 257243332 IGLGHCQOFDNVCS-QGZVFWFLSA-N 345.443 1.409 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1cnn(C)c1 257250333 JMCQLOADCOVDDZ-INIZCTEOSA-N 342.399 1.474 0 40 EDAB Cc1cc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2ccncc2)no1 253476591 AGVCSZJQCDZBCJ-OAHLLOKOSA-N 343.383 1.826 0 40 EDAB COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2cnccn2)cc1 257312205 UMWDKSMESFHWHK-KRWDZBQOSA-N 340.383 1.531 0 40 EDAB CCn1cc(S(=O)(=O)N2CCOc3c(F)cc(F)cc32)cn1 1616029945 TZPPHBGGKROBHD-UHFFFAOYSA-N 329.328 1.769 0 40 EDAB CC1([C@H]2CCCN(c3nnnn3CCc3ccco3)C2)OCCO1 1616032623 RVGKWMBEMBFCGP-ZDUSSCGKSA-N 333.392 1.488 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12 298154260 ZACCELQOVPXZAK-OAHLLOKOSA-N 342.443 1.427 0 40 EDAB O=S1(=O)C[C@@H](O)[C@@H](N(Cc2ccccc2)c2cccc(O)c2)C1 575422387 VMVGLCFBSZSLSZ-DLBZAZTESA-N 333.409 1.557 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1Cc1ccccc1 69631683 RELGWMTXADRTPV-HOTGVXAUSA-N 336.457 1.980 0 40 EDAB CS(=O)(=O)NCCNC(=O)N[C@H](c1ccccc1)C1CCC1 69744213 FQPIQQYMOGNNTC-CQSZACIVSA-N 325.434 1.376 0 40 EDAB O[C@H]1[C@H](NCc2ccccc2Cl)[C@H]2CO[C@H](O2)[C@@H]1n1cccn1 952844802 KDUAWALIFWOTGX-DGXTUMSLSA-N 335.791 1.352 0 40 EDAB biogenic,in-vitro COc1cc(CN[C@@H]2CCCN(c3ccn(C)n3)C2=O)ccc1F 95437393 ITPZJQGPLLDJEI-CQSZACIVSA-N 332.379 1.853 0 40 EDAB CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)Cc1ccc(Cl)cc1Cl 1615150647 YHCHHVFSSBJVQE-YVLXSGLVSA-N 348.226 1.363 0 40 EDAB CC(C)(O)c1cc(CC2(NCc3ccc4c(c3)OCO4)COC2)no1 1772595168 XSOCPGHQRNOBCC-UHFFFAOYSA-N 346.383 1.732 0 40 EDAB CCOC(=O)C1=NO[C@@H](Cc2cc(OC)c3c(c2OC)OCO3)C1 12412845 BHBCXOMVVGUZPE-JTQLQIEISA-N 337.328 1.683 0 40 EDAB CCN(c1ccccc1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 12817997 WOVLZZVAEICJDL-UHFFFAOYSA-N 340.426 1.549 0 40 EDAB Cc1cc(NC(=O)CCN2CCN(C(=O)c3cccs3)CC2)no1 12921399 FVDJYNVMUYHXQU-UHFFFAOYSA-N 348.428 1.831 0 40 EDAB CC[C@H](C(=O)N[C@@H](C)COC)N(c1ccc(C)cc1)S(C)(=O)=O 13713890 RSXYLAZOVXCXDP-DZGCQCFKSA-N 342.461 1.691 0 40 EDAB CCN(CC)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 14400925 OKOLPXUQVLZMAG-UHFFFAOYSA-N 342.417 1.440 0 40 EDAB CO[C@@H]1CCC[C@H](C(=O)NCc2cc(=O)[nH]c(N3CCCC3)n2)C1 19592673 QKHWSAFYIKPOIE-GXTWGEPZSA-N 334.420 1.192 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC[C@@H](Oc2ccc(C)nn2)C1 225461592 APEZTOVOTMYECC-GFCCVEGCSA-N 331.376 1.211 0 40 EDAB CCCCN(C(C)=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 3249654 SGEQXYYKQUAAKH-UHFFFAOYSA-N 344.415 1.331 0 40 EDAB COCCNc1ccc(S(=O)(=O)N2CCCCCC2)cc1N 5692915 BMQPQCHEOKNCJA-UHFFFAOYSA-N 327.450 1.892 0 40 EDAB CC(C)c1nc(N2CCN(C(=O)c3ccn(C)n3)CC2)nc(O)c1F 1888844324 GQSMSJQCXQFLAT-UHFFFAOYSA-N 348.382 1.141 0 40 EDAB O=C([C@H]1CC=CCC1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888866249 HZUSUZGYKWRBQE-SOUVJXGZSA-N 338.415 1.375 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCC[C@H](C)C1 33182654 VHDAORXOFYZVCZ-WDEREUQCSA-N 326.418 1.651 0 40 EDAB CS(=O)(=O)CCNc1ccccc1S(=O)(=O)C(F)(F)F 37750764 DZHXDZLHKWYTHD-UHFFFAOYSA-N 331.337 1.437 0 40 EDAB CN(Cc1ccncc1)[C@@H]1CCC[C@H](N2CCC(C(=O)O)CC2)[C@H]1O 2037795282 BXVGXUIDUMNJMX-SQNIBIBYSA-N 347.459 1.592 0 40 EDAB O=C(CCc1cncnc1)N1CC2(CCN(C(=O)c3ccoc3)C2)C1 1019187841 NMWRQJSVJWQDJX-UHFFFAOYSA-N 340.383 1.377 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)C1(F)CC1)C2 1565553014 GSNXTAWLLVJYJE-PBHICJAKSA-N 331.391 1.781 0 40 EDAB O=C(CSc1nc(=O)n2ccccc2n1)NCc1ccc(F)cc1 4499762 IHTCOFQHKRLAQE-UHFFFAOYSA-N 344.371 1.637 0 40 EDAB O=C(NC1CCCC1)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055717994 SAFFQHZQOYTTKI-LBPRGKRZSA-N 330.432 1.787 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(F)C3)cc1 1775967355 NPSAFHIXRYLYMP-RYUDHWBXSA-N 342.392 1.204 0 40 EDAB Cc1cc(C)c2s/c(=N\C(=O)CN3C(=O)CCC3=O)n(C)c2c1 100909082 HBCPZNLNEANDCS-MSUUIHNZSA-N 331.397 1.433 0 40 EDAB C[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2cccnc2)C(=O)C1 606440534 ZJAXKLNNDFXMLO-CYBMUJFWSA-N 343.358 1.863 0 40 EDAB C[C@H]1CN(S(=O)(=O)N(C)CCOc2ccccc2F)C[C@H](C)O1 40039941 IPXLWTRICWNMOG-STQMWFEESA-N 346.424 1.490 0 40 EDAB CCC(N[C@H](C)Cc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 20028341 PMPLFWINBSNJHR-GFCCVEGCSA-N 329.400 1.922 0 40 EDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(OC)c1OC 71055 BDJJYQATYXMMND-LBPRGKRZSA-N 331.332 1.152 0 40 EDAB O=C(NCCC(=O)N1CCCC1)c1cn(Cc2ccccc2)nn1 40488615 VBAPPZJCPSQRFF-UHFFFAOYSA-N 327.388 1.069 0 40 EDAB COc1cccc(C[C@@H](C(=O)N[C@H](C)C2CC2)n2nnnc2C)c1 40540204 SBXGPRMFNZWBAZ-BZNIZROVSA-N 329.404 1.689 0 40 EDAB COCCn1c(C(=O)NCc2ccco2)nc2ccccc2c1=O 32073050 OWBCWIAJJDJYSM-UHFFFAOYSA-N 327.340 1.566 0 40 EDAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)O 93978 IGRPGLBXMJHLPT-GMSGAONNSA-N 329.403 1.469 0 40 EDAB O=C(CSc1nnnn1-c1ccccc1)NC(=O)c1ccccc1 138077 XVXNHYSVIYJEQZ-UHFFFAOYSA-N 339.380 1.711 0 40 EDAB O=C(CNc1cc2c(cc1Cl)OCCCO2)N1CCNC1=O 29943067 GSWWYBPATUYRLW-UHFFFAOYSA-N 325.752 1.465 0 40 EDAB COCCNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 6301243 JIQFKJJLZXSBDL-CYBMUJFWSA-N 328.434 1.221 0 40 EDAB CC(C)NC(=O)CN1CCO[C@@H](c2noc(-c3ccccc3)n2)C1 96000263 SVDKFQCFUMSZQH-CQSZACIVSA-N 330.388 1.635 0 40 EDAB CC(C)(C)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NC2CC2)nn1 8298511 SDEHYEXGJUSBNV-CFVMTHIKSA-N 331.464 1.565 0 40 EDAB biogenic,in-vitro O=C(NCc1cccnc1)c1c[nH]c2cc3c(cc2c1=O)OCCO3 8579184 BMCGIWXTTHMTSP-UHFFFAOYSA-N 337.335 1.624 0 40 EDAB Cc1ccc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1C 541531 RYALRNJQTHMCMF-UHFFFAOYSA-N 325.372 1.582 0 40 EDAB CCc1csc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)n1 72285667 AXOKBUOCQCSDDV-GXTWGEPZSA-N 347.444 1.987 0 40 EDAB CCNC(=O)CCS(=O)(=O)Cc1cc(Cl)cc2c1OCOC2 58935191 FWHWZKWRFSXILD-UHFFFAOYSA-N 347.820 1.648 0 40 EDAB Cc1noc(C2CCN(CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC2)n1 53619596 MUAUKCAEJBCSOI-JKSUJKDBSA-N 348.447 1.727 0 40 EDAB CCc1noc(CSc2nnnn2Cc2ccc(OC)cc2)n1 22751419 GKFQJCVLBJKANC-UHFFFAOYSA-N 332.389 1.968 0 40 EDAB CN(C)CCOc1ccc(CNC(=O)[C@H]2CCN(C)C(=O)C2)cc1 53992824 VRYLFPJPTZEJSP-HNNXBMFYSA-N 333.432 1.112 0 40 EDAB CCc1nc2n(n1)[C@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 9135259 BLMSTASNZYEGFD-LBPRGKRZSA-N 327.344 1.565 0 40 EDAB Cc1ccc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1Cl 9157012 DTFWBVWQFLCTMA-UHFFFAOYSA-N 345.790 1.927 0 40 EDAB CCN1CCCC[C@@H]1C(=O)NCCc1cccc(C(=O)N(C)C)c1 76022681 OZHJWCGFDDWZIO-QGZVFWFLSA-N 331.460 1.922 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)c2ccc(S(C)(=O)=O)o2)no1 76043924 SLAOXZVDJOPKJD-SECBINFHSA-N 339.373 1.606 0 40 EDAB CN(C(=O)CN1CCC[C@H]1C(=O)NCC(F)(F)F)c1ccccc1 54991242 ULLYJJPCWBZXNA-ZDUSSCGKSA-N 343.349 1.792 0 40 EDAB COc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)C2CC2)CC1 24593330 WQTXCSKMIDVZRZ-ZDUSSCGKSA-N 331.416 1.576 0 40 EDAB Cc1nc([C@@H]2CCCN2CC(=O)N2CC(=O)Nc3ccccc32)no1 84280816 QNFGIQNHFKALBW-AWEZNQCLSA-N 341.371 1.500 0 40 EDAB CCOC(=O)[C@@H]1C(=O)CC(=O)[C@@H](C(=O)OCC)C1c1ccc(O)cc1 104139519 YREWCCCAPNMOJS-HZPDHXFCSA-N 348.351 1.376 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)c1cn(Cc2ccccc2)nn1 24892113 TWNQDPJUQGCUNA-UHFFFAOYSA-N 346.354 1.554 0 40 EDAB Cc1cccc(C(=O)NCCNC2=NS(=O)(=O)c3ccccc32)c1 59488036 HBYJNUPJNVKAKG-UHFFFAOYSA-N 343.408 1.464 0 40 EDAB CN(Cc1ccncc1)C(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 106735092 SCIHUEYONFFONH-CVEARBPZSA-N 331.416 1.600 0 40 EDAB Cc1nnc(COC(=O)c2cc(S(N)(=O)=O)ccc2Cl)o1 25199837 YRRQXUREAXFNMD-UHFFFAOYSA-N 331.737 1.036 0 40 EDAB Cc1cc(CN(C)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)no1 25135757 JZVVAKMCXCBHEN-UHFFFAOYSA-N 338.367 1.860 0 40 EDAB O=C(Cn1cc(I)cn1)Nc1nccs1 1431859 PATSJDIQKHTEFH-UHFFFAOYSA-N 334.142 1.583 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1cc(C)n(C(C)(C)C)n1)CC2 97198970 BDUGLUHPPFNADO-LBPRGKRZSA-N 330.436 1.845 0 40 EDAB COc1cccc(CC(=O)NCc2cccc(S(N)(=O)=O)c2)c1 25273517 WLDHNFLGKPXEPF-UHFFFAOYSA-N 334.397 1.202 0 40 EDAB CNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F 25587265 DPIGJZRHMAATSZ-UHFFFAOYSA-N 326.349 1.356 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c(=O)[nH]1 26310833 HXPOZZWKSLSJBB-BLLLJJGKSA-N 335.429 1.062 0 40 EDAB O=C1NC2=NN[C@@H](c3cn(-c4ccccc4)nc3C(=O)O)[C@H]2S1 101459186 CEHFZXOEANDWKD-GXSJLCMTSA-N 329.341 1.353 0 40 EDAB COc1cc(CNCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1F 108132032 SKHYNHTZYRANCU-WRFANHODSA-N 344.386 1.731 0 40 EDAB CCCNC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2sccc21 57426685 VGZFWMPWOUQWQM-UHFFFAOYSA-N 337.445 1.797 0 40 EDAB CN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)C1 108382743 UOMCGJIVLAUUOE-OIISXLGYSA-N 348.495 1.149 0 40 EDAB CC(=O)[C@@H]1[C@H](Cc2nc3ccccc3s2)C(=O)N2CCOC[C@@H]12 108398696 VOVOQXBCYGNZMA-DETPVDSQSA-N 330.409 1.901 0 40 EDAB CC(C)=C[C@H]1[C@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)C1(C)C 44778067 MSSOCOWATLNWTN-UONOGXRCSA-N 328.478 1.765 0 40 EDAB CCCS(=O)(=O)N[C@H](C)C(=O)NCC1(c2ccc(F)cc2)CC1 58156440 JNJLUJSPMQBBBI-GFCCVEGCSA-N 342.436 1.691 0 40 EDAB O=C(OCCn1cccn1)c1ccc(CN2C(=O)CCC2=O)cc1 58289866 CFEBAVWUTBFDIU-UHFFFAOYSA-N 327.340 1.389 0 40 EDAB c1cc2c(cc1CN1CCN(c3ccc4nncn4n3)CC1)OCO2 27748111 PVSKBDYJCDWKDP-UHFFFAOYSA-N 338.371 1.175 0 40 EDAB C[C@@H](NC(=O)CCCn1cnc2ccccc2c1=O)[C@H]1CCCO1 27885166 BZCZSMADAHOPMS-CZUORRHYSA-N 329.400 1.860 0 40 EDAB CCOC(Cn1cc(C(=O)N(C)Cc2ccc(C)o2)nn1)OCC 58378474 UCZSWJSBWTUWRS-UHFFFAOYSA-N 336.392 1.851 0 40 EDAB COCCN(Cc1ccccn1)C(=O)[C@H](C)NC(=O)c1ccco1 58325816 QYDBNIVMAHCCPI-ZDUSSCGKSA-N 331.372 1.468 0 40 EDAB COc1nc(C(=O)N[C@@H](C)CN2CCOCC2)cc2ccccc12 58415049 FYQJEIYNSQJPRD-ZDUSSCGKSA-N 329.400 1.694 0 40 EDAB CCCn1nc(C(=O)NCc2cc(OC)cc(OC)c2)ccc1=O 58688560 BMPKDYFMOALMAK-UHFFFAOYSA-N 331.372 1.601 0 40 EDAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(N)=O)o1 2375605 CFSGEMATVFJJGA-VIFPVBQESA-N 330.410 1.869 0 40 EDAB O=C(NCCCCN1CCCC1)NCCc1nnc2n1CCCCC2 45385127 CSGBUNFAIOKHNA-UHFFFAOYSA-N 348.495 1.722 0 40 EDAB Cc1nnc2ccc(N3CCN(c4cnc5ccccc5n4)CC3)nn12 69929693 XSDQGXHIABBUNN-UHFFFAOYSA-N 346.398 1.703 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)c1cccnc1-n1cncn1 48230964 RRLFIMMMMRYXRV-UHFFFAOYSA-N 337.339 1.364 0 40 EDAB O=C(CCC(=O)N1CCN(c2cnccn2)CC1)c1cccs1 11543917 BPCOBDGETDHGMT-UHFFFAOYSA-N 330.413 1.850 0 40 EDAB O=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 3394214 DOCGCIMQYBQMOA-UHFFFAOYSA-N 340.401 1.006 0 40 EDAB COCC(=O)NC1CCN(Cc2ccc(-n3cccn3)cc2)CC1 48331933 YNPPHATZNFLART-UHFFFAOYSA-N 328.416 1.599 0 40 EDAB O=C(NCCCn1cncn1)c1ccc(Cl)c(N2CCCC2=O)c1 48310632 FNNCEMVXSMDJFZ-UHFFFAOYSA-N 347.806 1.878 0 40 EDAB CN(C)C[C@@H]1CN(C[C@H](O)COCc2ccccc2Cl)CCO1 69665683 WNLLESUUTCUCNB-JKSUJKDBSA-N 342.867 1.480 0 40 EDAB COc1ccccc1[C@H]1CCCN1C(=O)NCCN1CCOCC1 69618863 XLFCHZZPMYFRII-MRXNPFEDSA-N 333.432 1.874 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1Cc2ccccc2O1 12983597 CSYWANLSEXPSGC-HNNXBMFYSA-N 348.380 1.285 0 40 EDAB CCCOc1cccc(C(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)c1 69741356 CUOTUEQYJXUCFI-QGZVFWFLSA-N 346.427 1.939 0 40 EDAB CC[C@@H]1CCCCN1CCNC(=O)Cn1nc2n(c1=O)CCCCC2 69737367 NWNVZJFFWGMEQJ-OAHLLOKOSA-N 349.479 1.152 0 40 EDAB O=C(CCc1cccs1)NCCNC(=O)COc1ccccc1 25997656 BLOVEGDWYCNDJV-UHFFFAOYSA-N 332.425 1.992 0 40 EDAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cnc2sccn2c1=O 72273033 JHUATTXEPZZRLK-OLZOCXBDSA-N 327.365 1.144 0 40 EDAB Cc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)n(C)n1 65403785 AIJLDQUZBLVFTK-UHFFFAOYSA-N 327.432 1.281 0 40 EDAB CCS(=O)(=O)Nc1ccccc1C(=O)N[C@@H](C)[C@H]1CCCO1 65625693 VRWYUULBRHGAKD-SMDDNHRTSA-N 326.418 1.746 0 40 EDAB COc1ccc(CNC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 6537862 PXPOZSWIHFDMDG-CQSZACIVSA-N 333.388 1.278 0 40 EDAB CS(=O)(=O)NCCC(=O)NCCCc1nc2c(s1)CCCC2 71185847 UYWMLPKUAXYYPK-UHFFFAOYSA-N 345.490 1.010 0 40 EDAB COc1ccccc1-n1c(O)nc2nc(N3CCCC3)ncc2c1=O 67264310 YXBUPHMQRLVGNP-UHFFFAOYSA-N 339.355 1.490 0 40 EDAB CCN(CC)C(=O)c1cccc(NC(=O)CN2CCO[C@H](C)C2)c1 24045761 ILYIJTPNIGDVLJ-CQSZACIVSA-N 333.432 1.828 0 40 EDAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(C)cc2)c2ccccc2O1 7252855 GCHSKQDCTXKAMN-QGZVFWFLSA-N 339.395 1.947 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)CCc2c[nH]c3ccccc23)C1=O 7985168 WOBWRCWUWHZMJH-QGZVFWFLSA-N 328.372 1.852 0 40 EDAB CN(C)CCN(C(=S)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 8149762 HCUMHPILYQPJQL-AWEZNQCLSA-N 347.550 1.244 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCCCN1C 72295742 DFQOOEYKRRTMMD-IEBWSBKVSA-N 344.503 1.798 0 40 EDAB COc1ccc(OC)c(NC(=O)COc2nnc3ccccn23)c1 8224835 XVUFSIUANQLQDR-UHFFFAOYSA-N 328.328 1.764 0 40 EDAB COc1cc(C)c(S(=O)(=O)N(C)CCCC(=O)O)cc1OC 72274793 NJKZGVWDOMDXAN-UHFFFAOYSA-N 331.390 1.498 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(Cc3ccc(C(N)=O)cc3)CCO2)n1 69349991 NRIHDANNXYHVRE-QGZVFWFLSA-N 328.416 1.500 0 40 EDAB COc1ccc(CN(C)C(=O)c2nc3nccc(C)n3n2)cc1F 78914284 DRMIWCZNIUWAOB-UHFFFAOYSA-N 329.335 1.853 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 83600026 BAKMZJYXKOOCPA-UHFFFAOYSA-N 349.456 1.732 0 40 EDAB Cc1cc(C(=O)N2CCSCC2)ccc1NCc1nncn1C 97233286 UGNPDSVMXWZMML-UHFFFAOYSA-N 331.445 1.925 0 40 EDAB c1cnnc(N2CCC[C@H]2CNCc2nc(-c3ccco3)no2)c1 71859897 LMHACARLVCEHBI-LBPRGKRZSA-N 326.360 1.878 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CN(C)c1cnccn1 71870341 KFBMFZDLHBZTAY-AWEZNQCLSA-N 328.420 1.627 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(C[C@@H](C)O)CC1 71877400 IEPVXCOAMBJEMC-OWCLPIDISA-N 349.475 1.259 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)Nc2nncs2)C(N)=O)cc1 71826944 NWYULNNOCVZLDX-NSHDSACASA-N 349.416 1.403 0 40 EDAB Cc1noc(Cl)c1CCC(=O)N1CCN(c2cnccn2)CC1 71830465 XHPJDJSOQSRTHE-UHFFFAOYSA-N 335.795 1.708 0 40 EDAB Cc1cccc2nc(C[S@](=O)[C@@H](C)C(=O)NCC(F)(F)F)cn12 97370502 HWCCAPWXGVMJOC-SDWAUSNYSA-N 347.362 1.958 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 71903908 YQRLGMQARMRCHI-MRVPVSSYSA-N 349.778 1.227 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)Nc1cccnc1N1CCCC1 71903443 WLZZDPBZCJECGP-GFCCVEGCSA-N 325.434 1.834 0 40 EDAB CN(C)CCN(CC1CCCCC1)S(=O)(=O)c1cn(C)cn1 71921582 WCWOWHMLGDACKL-UHFFFAOYSA-N 328.482 1.553 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN([C@@H](C)c3nc(C4CC4)no3)C2)C1=O 84597299 RJEHJZNWNGFFTB-MGPLVRAMSA-N 333.392 1.413 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCc2nc(-c3cnccn3)no2)C1=O 84509742 FSFPXAWJWDRDQK-NSHDSACASA-N 337.339 1.883 0 40 EDAB CSc1ccc(N2CCC(C(=O)Nc3ncccn3)CC2)nn1 95396552 BOZHFSJWNXFPQD-UHFFFAOYSA-N 330.417 1.844 0 40 EDAB CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)C1C2CC3CC(C2)CC1C3 95349828 DQTFNSMLIHNQGD-BAPHQMLMSA-N 340.489 1.694 0 40 EDAB CCOC[C@H]1CCCN(CC(=O)N2CC(=O)Nc3ccccc32)C1 72976965 PYOVLPKDLQTGOD-AWEZNQCLSA-N 331.416 1.720 0 40 EDAB CC[C@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1N1CCOCC1 84736013 BEBDSKBOXZVUDL-WCQYABFASA-N 337.445 1.030 0 40 EDAB CC[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@@H]1N1CCOCC1 84735819 BMHVEZVFYMKUHW-AEFFLSMTSA-N 348.491 1.539 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C 73988315 BKSGXWPYQWWADT-KGLIPLIRSA-N 336.457 1.789 0 40 EDAB COC[C@@](C)(CC(=O)O)NC(=O)CNC(=O)CCC1CCCC1 95989858 NNZSDHZCVRXQJE-MRXNPFEDSA-N 328.409 1.069 0 40 EDAB CC1(C)CN=C(N2CCN(Cc3cc(=O)n4nccc4[nH]3)CC2)S1 85821305 PZPQGXBWLYLABS-UHFFFAOYSA-N 346.460 1.022 0 40 EDAB CS(=O)(=O)c1ccccc1NC(=O)N1CCN2CCCC[C@H]2C1 89492968 BTCDNYIWUJWLDW-ZDUSSCGKSA-N 337.445 1.792 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@@H]1CC(=O)N(C)C1 75105727 FFLLQHXLIUSICS-CQSZACIVSA-N 341.415 1.519 0 40 EDAB CC(C)c1nc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)no1 89893613 FOZNDSICMBLGGA-UHFFFAOYSA-N 337.343 1.532 0 40 EDAB C[C@H](O)[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(F)c(F)c1 126763358 ABRALETWAKNSGW-HZMBPMFUSA-N 326.343 1.457 0 40 EDAB COc1cccc(C(=O)NCC(=O)N2CC[C@H](O)C23CCCC3)c1 548789950 AAEWLUXNDZLQNC-HNNXBMFYSA-N 332.400 1.331 0 40 EDAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(C(C)C)C[C@@H]32)cc1 306141941 WKXQPDOAYLVKNW-HZPDHXFCSA-N 340.427 1.199 0 40 EDAB COCCCNS(=O)(=O)c1ccc(N2CCCC2)c(C(=O)O)c1 217602261 WCMMJVCLOMHNIJ-UHFFFAOYSA-N 342.417 1.300 0 40 EDAB Cc1cnn(CCC(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 79002151 TVRHYGGRXSCAGH-MRXNPFEDSA-N 344.390 1.985 0 40 EDAB C[C@](O)(CNC(=O)c1cc(N2CCCCC2)ncn1)C(F)(F)F 521395355 QUWSFXPJOWHKTQ-ZDUSSCGKSA-N 332.326 1.510 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NC2CCCC2)ccc1NCCCO 217575750 YQRVJPOFUMAMSG-UHFFFAOYSA-N 342.417 1.400 0 40 EDAB COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)CCC(N)=O)C2)cc1C 12581934 YUSQQFOFDNDXRM-CQSZACIVSA-N 346.427 1.999 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCn2c(nnc2-c2ccccc2)C1 72900238 PBSABAYMOZHNES-QGZVFWFLSA-N 333.395 1.987 0 40 EDAB C[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1cccc(-n2ccnc2)c1 189895958 VVSUYNCLSYLVDZ-ZDUSSCGKSA-N 339.399 1.121 0 40 EDAB Cc1nc(CCC(=O)O)cc([C@H]2CCCN(c3ncccn3)C2)n1 72363420 VWKQAHHEIFQDNA-ZDUSSCGKSA-N 327.388 1.976 0 40 EDAB CCOc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCCC2)cc1 38556551 USAQBGJVWSINKF-UHFFFAOYSA-N 340.445 1.894 0 40 EDAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccccc2)N1CCO 35379672 ORHKZLVVDXKINP-DOTOQJQBSA-N 333.409 1.328 0 40 EDAB CN1C(=O)CO[C@H](c2ccc(NC(=O)NC(C)(C)C)cc2)[C@H]1CO 72321442 PYCKJAUSLZRHBB-UKRRQHHQSA-N 335.404 1.497 0 40 EDAB biogenic,in-vitro C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N(C)N(C)c2ncccc21 72335316 MHEXFSXXQXBDND-OLZOCXBDSA-N 331.420 2.000 0 40 EDAB C[C@H]1OCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)O)c2)[C@@H]1C 566176360 HWQGSUNBOKOYKO-RKDXNWHRSA-N 333.793 1.836 0 40 EDAB CCN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)CC1 72241926 RKKDHZDEKMZPFY-WMZOPIPTSA-N 347.434 1.899 0 40 EDAB C[C@@H](NC(N)=O)C(=O)N(C)CC1(C)CCN(Cc2ccccc2)CC1 78512024 LRRBQIVQCDSHFJ-OAHLLOKOSA-N 346.475 1.804 0 40 EDAB COCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3nncs3)n2)C1 72360032 XEQDBBZXSNVCPK-NSHDSACASA-N 348.432 1.733 0 40 EDAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@H](C)OC[C@@H]3CCCCO3)[C@H]2C1 328820513 HNQTVTCULYKXKQ-QEOTZNIISA-N 341.448 1.756 0 40 EDAB CCn1c(=O)sc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc21 225688373 XKXAUFHFSUVDFE-JTQLQIEISA-N 342.442 1.540 0 40 EDAB O=c1c(F)cn([C@H]2CCCO2)c(=O)n1C[C@H](O)C1CCCCC1 191357527 CNXPJTVGASXVEK-UONOGXRCSA-N 326.368 1.399 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NCCN3CCCCC3)CC2=O)cc1 46853874 LXDXNECXBAHACS-HNNXBMFYSA-N 345.443 1.650 0 40 EDAB NC(=O)c1cc(N2CCCN(C(=O)c3ccc(F)cc3)CC2)ccn1 131308924 INJQJQXAUVJXDS-UHFFFAOYSA-N 342.374 1.672 0 40 EDAB O=S(=O)(CCCC(F)(F)F)Nc1cnn(-c2ncccn2)c1 225662730 WRLZIXAURGFRMM-UHFFFAOYSA-N 335.311 1.747 0 40 EDAB CN(C[C@H](O)COCc1ccccc1)C(=O)c1conc1C(C)(C)N 571894308 JPPKOGGRQAYISI-AWEZNQCLSA-N 347.415 1.518 0 40 EDAB O=C(Cc1ccc(F)cc1)NCc1ccnc(N2CCOCC2)n1 224217972 OROFGZARMWDTQC-UHFFFAOYSA-N 330.363 1.311 0 40 EDAB Cc1ccc(-c2nn(C)cc2C(=O)N2CCc3c(O)ncnc3C2)o1 529008888 NBFFHDWXSAMDCA-UHFFFAOYSA-N 339.355 1.683 0 40 EDAB CC(C)(C)c1ccccc1S(=O)(=O)NC(=O)CCn1ccnn1 225789840 AKFJUIRNKUCHEV-UHFFFAOYSA-N 336.417 1.471 0 40 EDAB Cc1n[nH]c(SCC(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2)n1 81474985 MCMVNNFVWPEPAA-YPMHNXCESA-N 331.445 1.989 0 40 EDAB O=C1[C@@H](n2cncc(Br)c2=O)CCN1CC(F)(F)F 95414756 NMGBCPQICNWQOC-ZETCQYMHSA-N 340.099 1.342 0 40 EDAB CN(C)CCN1CCC2(CCN(C(=O)c3cccnc3)CC2)C1=O 96157752 QDAFRISEPNUAKO-UHFFFAOYSA-N 330.432 1.098 0 40 EDAB Cc1ccc(CN2CCc3ncnc(N4CCOCC4)c3CC2)o1 96255706 GRFJWVIAEZLZSQ-UHFFFAOYSA-N 328.416 1.815 0 40 EDAB Cc1ccc(N2C[C@@]3(CCN(S(=O)(=O)C4CC4)C3)CC2=O)s1 96050890 FGMRAODAPDDJFC-HNNXBMFYSA-N 340.470 1.978 0 40 EDAB Cc1nc(CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)no1 96424695 AAGINWHCGHJSPY-UHFFFAOYSA-N 337.468 1.294 0 40 EDAB Cc1[nH]ncc1C(=O)NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 96466849 FFZKJEYFSAZPND-HNNXBMFYSA-N 326.400 1.539 0 40 EDAB O=C(c1ccco1)N1CCC[C@]2(CCN(CCN3CCCC3)C2=O)C1 96073994 MMACZZCUUJEXHJ-IBGZPJMESA-N 345.443 1.830 0 40 EDAB c1cc(CN2CCC[C@@]3(COCCN(c4cnccn4)C3)C2)ccn1 96049643 YAXIRKPCZALILJ-LJQANCHMSA-N 339.443 1.991 0 40 EDAB O=C(c1cnccn1)N1CCOC2(CCN(c3ccccn3)CC2)C1 96158968 AKZBFULAPPMKIT-UHFFFAOYSA-N 339.399 1.383 0 40 EDAB CCOC[C@H]1CN(C(=O)COc2ccccc2)Cc2c1cnn2C 96044615 NMWDWMLMMHZVEN-CQSZACIVSA-N 329.400 1.961 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(C(=O)c3ccccn3)C[C@@H]12)N1CCCC1 96057216 DQRUBPMLYOUISC-OAGGEKHMSA-N 343.427 1.429 0 40 EDAB Cc1ccc(CN2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)o1 96107750 KQGJWHASHLUVEW-MJGOQNOKSA-N 348.443 1.960 0 40 EDAB CCc1nsc(N2CCN(C(=O)CCc3cnn(C)c3)CC2)n1 96432236 YJWQWCRGZVZOAN-UHFFFAOYSA-N 334.449 1.115 0 40 EDAB CCN1CCN(C(=O)N[C@@H](COC)C2CC2)C[C@H]1c1nccn1C 583623263 QATCZKVVNJKCAI-GJZGRUSLSA-N 335.452 1.233 0 40 EDAB Cc1cccc(CN2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCCC3)C2)n1 97953391 AVIXKMCOEHUROG-RCCFBDPRSA-N 329.444 1.849 0 40 EDAB COc1cc(N2Cc3ccnn3[C@H](CC(=O)NCC3CC3)C2)ncn1 247915071 VTZZBUASQFUHFJ-CQSZACIVSA-N 342.403 1.159 0 40 EDAB CCc1cnc(CN(C)C(=O)NC[C@@H](C)N2CCOC[C@H]2C)s1 245316657 KBTJDQOYCGWOGD-CHWSQXEVSA-N 340.493 1.956 0 40 EDAB Cc1ccc(CN2CC3(C2)OCC[C@@H]3CCNS(C)(=O)=O)o1 248133099 ZKPGQFJKWIIKCA-ZDUSSCGKSA-N 328.434 1.118 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 257306540 SURBRXOXNLQIFX-INIZCTEOSA-N 330.388 1.923 0 40 EDAB NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)Cc1ccccc1F 257202775 ANKGVRYEEFROCS-KRWDZBQOSA-N 328.347 1.161 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@@H](c3ncc(CN(C)C)[nH]3)C2)cs1 257277232 NWZBUTFGABYMKE-CQSZACIVSA-N 349.460 1.379 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1ccnnc1 257289090 PWXZIJFBUDURQQ-HNNXBMFYSA-N 340.387 1.188 0 40 EDAB Cc1cccc(C)c1-n1nnnc1[C@@H](NN1CCOCC1)C(C)C 255187293 COKCYHGTJZBATN-HNNXBMFYSA-N 330.436 1.813 0 40 EDAB Cc1cc(N(C)C2CC3(CCN(C(=O)c4ccno4)C3)C2)ncn1 257304715 SMVHIOZWZIQCFN-UHFFFAOYSA-N 327.388 1.904 0 40 EDAB CN([C@@]1(CO)CCOC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 585114670 QMSNTDQEDCCEDF-MRXNPFEDSA-N 327.446 1.756 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(CC3(O)CCOCC3)CCO2)n1 257241035 HWJDEBQZEQWXIZ-KRWDZBQOSA-N 335.448 1.371 0 40 EDAB Cc1nc2ccccn2c1CC(=O)N1CCO[C@@H](c2cnccn2)C1 257294858 QWAHGMVBFCRWCZ-MRXNPFEDSA-N 337.383 1.575 0 40 EDAB C[C@@]1(c2ncc(C(N)=O)s2)CCCN(C(=O)c2cccnc2)C1 257249881 JKCWNWIZTSRZLE-MRXNPFEDSA-N 330.413 1.831 0 40 EDAB CCOC[C@@H]1CN(C(=O)c2ccc(O)nc2)C[C@H]1c1cnn(C)c1 585655644 RFLJQMGVOVAMSO-GJZGRUSLSA-N 330.388 1.413 0 40 EDAB Cc1ccccc1CN1CCCN(C(=O)Cn2cnccc2=O)CC1 268380323 YOACXHMMGDZRKY-UHFFFAOYSA-N 340.427 1.286 0 40 EDAB CN([C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1)S(C)(=O)=O 260798258 QXTZOGWQUZUQLJ-ARLBYUKCSA-N 336.457 1.924 0 40 EDAB COC(=O)C1(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)CC2(CCC2)C1 597609662 JJFFAQOKVCMMRG-NSHDSACASA-N 349.387 1.605 0 40 EDAB COc1ccc(C(=O)NC2CCC3(CC2)C[C@@H]3N)c2c1CNCC2 1615546244 NJDVYWPXRXKRBI-FGRSOLKCSA-N 329.444 1.731 0 40 EDAB CC(C)C[C@@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100972091 JMPKMGUKLHYPQY-UVPYHEFZSA-N 346.427 1.067 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@H](C(=O)NCc2cccs2)C1 575402519 BJCLSUOPZIFEOW-AWEZNQCLSA-N 332.429 1.800 0 40 EDAB O=C(CCc1ccccc1)N1CC[C@](O)(CN2CCCC2)[C@@H](O)C1 585282310 DJHJFKDILXTCHL-HKUYNNGSSA-N 332.444 1.039 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 585095245 MCTSRULYBXMQTJ-INIZCTEOSA-N 348.447 1.499 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585095717 FHKOJFUWIAWWFM-YUELXQCFSA-N 332.404 1.367 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)NC[C@@H]1Cc2ccccc2O1 46278705 KOXOMHYESLTHKD-AWEZNQCLSA-N 335.363 1.516 0 40 EDAB CN1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 48301281 GMECSGOCEONENV-UHFFFAOYSA-N 338.351 1.911 0 40 EDAB O=C(NCc1nc(-c2ccccc2)no1)c1ccnc(-n2cncn2)c1 58364733 FRWQDWPFCQHVPN-UHFFFAOYSA-N 347.338 1.642 0 40 EDAB Cc1cccnc1NC(=O)CS(=O)(=O)NC1CCC(C)CC1 69537593 OEDOMVBBFJWDGY-UHFFFAOYSA-N 325.434 1.827 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@@H](C)n1c(=O)oc3ccccc31)C2 69656147 USBYGLDYLYNSLU-SNVBAGLBSA-N 327.344 1.098 0 40 EDAB CCN(CC(=O)NC(=O)NC1CC1)[C@@H]1CCN(c2ccccc2)C1=O 69697256 JOHHWDATRCJBFW-OAHLLOKOSA-N 344.415 1.102 0 40 EDAB CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)NCc1ccc(OC)cc1 69658484 CUDKJGPXEBCMTR-CYBMUJFWSA-N 342.461 1.066 0 40 EDAB CCCOC(=O)CCNS(=O)(=O)c1ccc(OC)c(C)c1C 72313095 KCBCFCQVCORMEN-UHFFFAOYSA-N 329.418 1.934 0 40 EDAB COCCOCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 65611663 HBWWKJRPRFSOKU-INIZCTEOSA-N 334.416 1.046 0 40 EDAB COc1ccccc1CC(=O)N1CCN(c2nccs2)C(=O)C1 1565522784 QBELOKBUFBWGGE-UHFFFAOYSA-N 331.397 1.570 0 40 EDAB CCOc1cccc(CC(=O)N2CCN(c3cncc(F)c3)CC2)n1 1615056555 RRFPFFNIERUVNH-UHFFFAOYSA-N 344.390 1.906 0 40 EDAB C[C@H]1CCC[C@H]1S(=O)(=O)NCc1ccnc(N2CCOCC2)c1 1615614224 OHQWKDYUWMIKSR-DZGCQCFKSA-N 339.461 1.526 0 40 EDAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C 1626958 WJVKOPPVPCFLMG-GFCCVEGCSA-N 336.388 1.759 0 40 EDAB CC1(C)NC(=O)N(CC(=O)NCCSCc2ccccc2)C1=O 5317714 ILPHMLPYBPDIQF-UHFFFAOYSA-N 335.429 1.366 0 40 EDAB CCNC(=O)NC(=O)[C@H](Sc1nnc(N)s1)c1ccccc1 5636782 RNMOUCOJWXDKHT-SECBINFHSA-N 337.430 1.799 0 40 EDAB CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccnc1 12661333 OZEKMLJYTCPRAI-LLDVTBCESA-N 349.383 1.248 0 40 EDAB Oc1nc(C2CCNCC2)nc2c1nnn2Cc1ccc(F)cc1 13564028 YHAPIKZFJRDFGO-UHFFFAOYSA-N 328.351 1.581 0 40 EDAB Cc1nc(C[C@@H](NC(=O)c2cnccn2)c2ccccc2)cc(=O)[nH]1 19285424 KSIHKLLXAWBXLH-OAHLLOKOSA-N 335.367 1.582 0 40 EDAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(C(=O)C1CC1)CC3 19550807 ZTFAHAKMCAJWIL-UHFFFAOYSA-N 343.383 1.208 0 40 EDAB Cc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1Cl 19619375 XDDMCZBIISTSDP-UHFFFAOYSA-N 332.853 1.649 0 40 EDAB CC1=C(C(N)=O)[C@@H](c2cccs2)N2NC(c3cccnc3)=NC2=N1 73459 LFAZWNLQFDSYON-CYBMUJFWSA-N 338.396 1.580 0 40 EDAB O=C(CN1C(=O)CCC1=O)N1CCS[C@H](c2cccs2)CC1 219498562 OGNRMDHDYNIHMC-LBPRGKRZSA-N 338.454 1.904 0 40 EDAB Cc1nc(-c2ccc(C(=O)N[C@]3(C(N)=O)CCOC3)cc2)cs1 519620213 XZHZSZMUTOJURL-MRXNPFEDSA-N 331.397 1.493 0 40 EDAB COc1cccc(CN2CCO[C@@H](C(=O)N3CCSCC3)C2)c1 1888864348 QYKQOOHYFPBBMO-MRXNPFEDSA-N 336.457 1.471 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cnc[nH]5)C[C@H]4C3)n1)CCC2 1888867061 JIQMDNYGYCWXGF-BETUJISGSA-N 338.415 1.205 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 31230424 JLSHKVSSNVEDGM-LBPRGKRZSA-N 348.428 1.024 0 40 EDAB CC(C)(C)c1ccc(NC(=O)N2CC(N3CCNC(=O)C3)C2)cc1 1191142487 XYXNZNRXIURFCH-UHFFFAOYSA-N 330.432 1.632 0 40 EDAB CN(C)CCOC[C@@H]1C[C@@H]2OCCN(C(=O)C3(F)CCC3)[C@H]2C1 1565544694 QRRXLIRVAFDENN-KKUMJFAQSA-N 328.428 1.463 0 40 EDAB Cc1c(C)n2c(SCC(=O)Nc3ccc(F)cc3)nnc2[nH]c1=O 4250462 QSOUTJHZJBZPFL-UHFFFAOYSA-N 347.375 1.904 0 40 EDAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)C(C)C)C1 2055754602 HKGJSRYHDZCKJJ-LJQANCHMSA-N 347.459 1.878 0 40 EDAB O=C(c1cc(C2CC2)on1)N1CCC(N2C(=O)CSC2=O)CC1 206980546 RUJVVNVOZHDWFN-UHFFFAOYSA-N 335.385 1.852 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CC[C@H](Oc3cnsn3)C2)cc1 618257393 VLKNXLCCSAFIHL-ZDUSSCGKSA-N 332.385 1.790 0 40 EDAB CNC(=O)Cc1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 23136659 QHXQNCUYQOCUMQ-UHFFFAOYSA-N 325.415 1.579 0 40 EDAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 40553247 XLXLWNTWSXBNFS-LLVKDONJSA-N 349.412 1.619 0 40 EDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@@H]1COc2ccccc2O1 40553728 OHBSPUQHIIHNQN-BBRMVZONSA-N 340.383 1.402 0 40 EDAB CC(C)N1C[C@@H](C(=O)NCCOc2ccc3c(c2)OCO3)CC1=O 40541395 JJUVLHWMTIDHRT-LBPRGKRZSA-N 334.372 1.167 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N1Cc2ccccc2C1=O 32124328 OMCNVSGQEFDCGJ-SWLSCSKDSA-N 332.400 1.735 0 40 EDAB biogenic COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1 20735991 KEQFHDHXIOTNIJ-HNNXBMFYSA-N 332.335 1.379 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)c2cncn2-c2ccccc2)C1 32268455 URJYQDIEZMDGCW-KRWDZBQOSA-N 342.443 1.959 0 40 EDAB CC(C)(CO)Nc1nc(NCc2ccco2)nc(N2CCOCC2)n1 337986 VPGSGZNWGARWHF-UHFFFAOYSA-N 348.407 1.096 0 40 EDAB COc1ccc2c(c1)[nH]c1c(N3CCC(C(N)=O)CC3)ncnc12 533481 PWNYPILVVPJWJG-UHFFFAOYSA-N 325.372 1.821 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)COC2CCCCC2)CC1 69878286 MTKLIMFHXXODRW-UHFFFAOYSA-N 334.464 1.804 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)CCCCN2CCCC2)CC1 69840369 QNAZBEDFEPKPJI-QGZVFWFLSA-N 339.524 1.804 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCC(N3CCNC3=O)CC2)o1 52215283 MCGFUHJSMLPIFG-UHFFFAOYSA-N 334.420 1.036 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)OC[C@H]1CN(CC(C)C)CCO1 69948702 OIXRNQCPZGDUIB-HZPDHXFCSA-N 340.464 1.678 0 40 EDAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(O)nn2)CC1 32744994 OUUZQZYRUFSDOX-UHFFFAOYSA-N 326.356 1.673 0 40 EDAB CCn1c(=O)cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c1=O 4033798 GPCJNOBFTQWKDD-UHFFFAOYSA-N 334.807 1.537 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4564534 BYTMZVVIAPQSOD-OJXGSEEGSA-N 326.352 1.441 0 40 EDAB O=C(CN1CCN(c2ncnc3ccccc23)CC1)N1CCCC1 52718893 KZWNPPFWAYBFJQ-UHFFFAOYSA-N 325.416 1.374 0 40 EDAB CCNC(=O)NC(=O)COC(=O)c1csc(-c2ccccc2)n1 7162265 NCQYRKMMYLTPBJ-UHFFFAOYSA-N 333.369 1.813 0 40 EDAB COc1ccc(CCC(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)cc1 7694623 IKOCXWAZNVUKDU-HNNXBMFYSA-N 348.399 1.037 0 40 EDAB Cc1nn(C)c(C)c1C(=O)C(=O)NCCOc1ccc2c(c1)CCC2 84008633 AHVSODSRHKFPKZ-UHFFFAOYSA-N 341.411 1.904 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)cc1 10044228 RMOCQGXSPXGSRB-HNNXBMFYSA-N 347.396 1.150 0 40 EDAB COCCNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10326197 HGYKIDRQRPOMHJ-ZDUSSCGKSA-N 328.434 1.221 0 40 EDAB CCn1cnnc1CNC(=O)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 46965086 VCJSYIUGFDSVIA-OKILXGFUSA-N 337.424 1.168 0 40 EDAB Cc1cc(C)n(CC(=O)NCc2nc(-c3ccccc3)no2)c(=O)n1 12391512 CPSCKJXBRSIMRA-UHFFFAOYSA-N 339.355 1.227 0 40 EDAB O=C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CCN1 71839595 QXENJCFMUAGBQU-LLVKDONJSA-N 335.791 1.041 0 40 EDAB CN(CC(=O)Nc1cccc(F)c1)Cc1nc(O)c2cnn(C)c2n1 54418072 GNZNXAYMMMBQQR-UHFFFAOYSA-N 344.350 1.279 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCN(Cc2ccccc2C)CC1)C(C)C 23624726 KNPKODGFBREZBO-GOSISDBHSA-N 331.460 1.800 0 40 EDAB CCc1nc(COC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cs1 71884497 ZOHKAKJGDHPQHK-SNVBAGLBSA-N 332.447 1.420 0 40 EDAB Cc1c(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)nnn1-c1ccccc1 71829500 HJLMTHASASYALN-DGCLKSJQSA-N 327.388 1.302 0 40 EDAB CC(C)[C@H](NC(=O)CN1CCS(=O)(=O)CC1)c1ccc(F)cc1 47207798 HUQPALMSTQSZTD-INIZCTEOSA-N 342.436 1.369 0 40 EDAB O=S(=O)(N1CCCCC1)N1CCC(c2nnc3n2CCC3)CC1 47267821 JJUCSMXNHJOLLP-UHFFFAOYSA-N 339.465 1.134 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)Cc1csc(N2CCCC2=O)n1 24475769 NHQSKKVNXIIKKQ-UHFFFAOYSA-N 333.417 1.205 0 40 EDAB COC[C@H](N)C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1 55072426 JDJRCPLSKDTGLO-INIZCTEOSA-N 327.384 1.780 0 40 EDAB CCc1c(C(=O)N2CCC(C(N)=O)CC2)cnn1-c1ccc(F)cc1 24565491 IVNDMZVYVSYHDT-UHFFFAOYSA-N 344.390 1.911 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 106042008 NBZQHGUNBZJZSS-ZIAGYGMSSA-N 336.436 1.825 0 40 EDAB O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@H](N2CCNC2=O)C1 71841730 RZHFAKAYRJUMTR-HNNXBMFYSA-N 329.400 1.180 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)NC[C@H]1CN(C)CCO1 106787764 JOTAQEMKDINKEZ-KKUMJFAQSA-N 335.448 1.181 0 40 EDAB CC(C)Cn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O 3015546 DBZYZIWTKWJQSX-UHFFFAOYSA-N 339.399 1.704 0 40 EDAB CCCn1nnnc1COC(=O)CCNC(=O)c1ccccc1C 25217676 HDYAVDOFJKXETI-UHFFFAOYSA-N 331.376 1.255 0 40 EDAB COc1ccc(/C=C/C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c(OC)c1 71823423 BZMFBBDATZTZHD-ODAKQPGBSA-N 332.400 1.829 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1 12552057 GMOCFLPIZKWUEO-UHFFFAOYSA-N 345.340 1.161 0 40 EDAB CCCn1nc2c(cc1=O)CN(Cc1csc(NC(C)=O)n1)CC2 76064656 AKHFLAVZOYEFGL-UHFFFAOYSA-N 347.444 1.627 0 40 EDAB COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 57289580 OXPRJHJCWVSFPI-INIZCTEOSA-N 331.416 1.355 0 40 EDAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 57525534 DRSZAJAKLIUEOL-CYBMUJFWSA-N 329.400 1.491 0 40 EDAB CCCNC(=O)[C@@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 44643472 YNVXBPXUAVPTEG-SECBINFHSA-N 347.820 1.898 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@H]2CC[C@H]1[C@H]2Oc1ncccc1F 109933156 UTDFPZBIMLAGFF-MELADBBJSA-N 342.392 1.324 0 40 EDAB COCCCNC(=O)CN(C)C(=O)[C@H](C)Oc1ccc(F)cc1 58004494 DUARKRNISNRXIO-LBPRGKRZSA-N 326.368 1.204 0 40 EDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nnsc1Cl 27557013 YIKVWOREXXNYJT-ZETCQYMHSA-N 344.849 1.790 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCc1cccnc1 44891749 WYFUAGOQNKVIGF-GFCCVEGCSA-N 348.428 1.632 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H](O)C1 44896805 SZQMIDMRDAAGLN-OAHLLOKOSA-N 327.384 1.655 0 40 EDAB C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)N2CCCCCC2)C1=O 58209100 CWKJHGCCVJYPRU-GOSISDBHSA-N 347.390 1.995 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccccc3)C2=O)o1 58292952 FJRUODPVWLFLGY-GOSISDBHSA-N 341.367 1.671 0 40 EDAB O=C(COCCOc1ccccc1)Nc1cccnc1-n1cncn1 58290475 MQWILCGMVQQYOZ-UHFFFAOYSA-N 339.355 1.696 0 40 EDAB CC(C)NC(=O)[C@H](C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 67488590 AVVTYIOHVOFRTH-VIFPVBQESA-N 347.820 1.798 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)NC1CCNCC1 36286252 DHNHPJHUXARRGI-UHFFFAOYSA-N 349.250 1.488 0 40 EDAB COc1cc(CNC(=O)Nc2ccc(N3CCOCC3)nc2)ccn1 48070514 SKRYVWHFVLWFCN-UHFFFAOYSA-N 343.387 1.644 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCc2ccccc21 12606631 WXXPFWBGAQQXSU-UHFFFAOYSA-N 335.363 1.669 0 40 EDAB C[C@@]1(CNC(=O)N2CCNC(=O)CC2)CCCN1Cc1ccccc1 119635597 UQURRYLTPXIYTB-IBGZPJMESA-N 344.459 1.573 0 40 EDAB Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)NC4CC4)C3)nn2)n1 62164311 CAJCMZVHWLTMFC-CQSZACIVSA-N 340.431 1.774 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CCn1cnc2sccc2c1=O 48263980 GHHNAWSLQJXCHC-UHFFFAOYSA-N 331.401 1.837 0 40 EDAB COc1ccccc1-c1nnc(SCC(=O)NC(C)(C)C)n1N 3368287 HAAVTJVEFMFLDO-UHFFFAOYSA-N 335.433 1.674 0 40 EDAB O=C(CC[C@@H]1NC(=O)NC1=O)Nc1cccc(Br)c1 12728713 AWBBNQWGIDFGNO-VIFPVBQESA-N 326.150 1.376 0 40 EDAB Cc1cccc2c(=O)n(CCCC(=O)N3CCO[C@H](C)C3)cnc12 11503276 OOALCWPHNGOMTH-CQSZACIVSA-N 329.400 1.732 0 40 EDAB CCOc1ccc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 29207165 MMHVOEHOYBKBMW-CYBMUJFWSA-N 326.418 1.239 0 40 EDAB CC(C)NC(=O)NCc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 48342775 SRNKZAHPHFRHLW-MRXNPFEDSA-N 344.459 1.861 0 40 EDAB O=C(COc1ccc(Br)cc1CO)NCC(F)(F)F 3452270 YLMJCMPEQSLVOF-UHFFFAOYSA-N 342.111 1.999 0 40 EDAB CCc1ccc(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)o1 71905606 WFPZWUUTXDYNLZ-UHFFFAOYSA-N 349.416 1.090 0 40 EDAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccco2)NC(=O)N[C@@H]1C 6053450 ZDAWOCYYRMEVCZ-VQCYPWCPSA-N 334.328 1.355 0 40 EDAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cnc2sccn2c1=O 72273032 JHUATTXEPZZRLK-STQMWFEESA-N 327.365 1.144 0 40 EDAB COc1ccccc1/C=C/C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 65423106 IBDKFEUZSJHBDL-ATWMFIQVSA-N 338.429 1.249 0 40 EDAB O=C(NCCc1ccsc1)N[C@H]1CCCc2c1cnn2CCO 65446777 VAMFBRYOBRHWAL-AWEZNQCLSA-N 334.445 1.856 0 40 EDAB C[C@@H](NC(=O)N1CCCN(C)CC1)c1ccc2c(c1)CCC(=O)N2 65444303 XUFYLMRQCDHAOA-CYBMUJFWSA-N 330.432 1.979 0 40 EDAB Cc1cc(C)c(CNC(=O)NCCc2ccc3c(c2)OCO3)c(=O)[nH]1 65530212 CGLUFYUQUFWBKJ-UHFFFAOYSA-N 343.383 1.762 0 40 EDAB COc1c(CN[C@@H]2CCCN(S(C)(=O)=O)C2)c(C(C)C)nn1C 65520802 WJKYTWHUTIWGEP-GFCCVEGCSA-N 344.481 1.066 0 40 EDAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)O 5306144 VUHVXNPVPKXISX-AWEZNQCLSA-N 348.399 1.939 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 6456787 CQUGOOVYUVMBEV-UHFFFAOYSA-N 347.396 1.222 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccccc1CC(=O)NC1CC1 71285038 NKVJBJBDYAVHLR-LSDHHAIUSA-N 330.384 1.803 0 40 EDAB O=C1[C@@H](N[C@H]2CCc3ncnn3C2)CCCN1c1cccc(F)c1 115542798 RRSXVGZULXAMFJ-ZFWWWQNUSA-N 329.379 1.517 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cccc(C(N)=O)c3)C2)n1 72235386 WTDVFKBETHEPRH-OAHLLOKOSA-N 327.388 1.471 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 5679834 NWFPAZFYDYYENF-INIZCTEOSA-N 335.429 1.604 0 40 EDAB Cn1ncc(N[C@H](CO)Cc2c[nH]c3ccccc23)c(Cl)c1=O 76065050 JNCLXVFMBGGDNI-NSHDSACASA-N 332.791 1.931 0 40 EDAB C[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@H]1N(C)C 76050585 TUEGYMWYBWAMLN-CMPLNLGQSA-N 331.338 1.276 0 40 EDAB CC(C)N(CCNC(=O)c1nn(C)c(=O)c2ccccc12)C(C)C 6852262 UISVUOHNNOXMCG-UHFFFAOYSA-N 330.432 1.782 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1CC(=O)N1CCc2ccccc21 6836790 VUOMWXAIAJCYGK-INIZCTEOSA-N 331.397 1.003 0 40 EDAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)NC[C@@H]1CCCO1 6909121 YKOXZUBWYUJEMF-VIFPVBQESA-N 326.809 1.999 0 40 EDAB Cc1ccc(-n2c(=O)[nH]c(O)c([C@@H]3NCCc4ccccc43)c2=O)cc1 20171572 FJEQKVXTEALKLS-QGZVFWFLSA-N 349.390 1.775 0 40 EDAB COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1OC 7728138 HRMNXIPXFUDJIF-UHFFFAOYSA-N 328.434 1.468 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)N1CCN(C2CCOCC2)CC1 81032966 DVFGGUHWIXOSJI-INIZCTEOSA-N 337.464 1.101 0 40 EDAB CC(=O)N1CCC(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)CC1 76248726 LMPVKILASJURDH-HZPDHXFCSA-N 340.489 1.758 0 40 EDAB CCCNC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 8153440 JNTCBDWIFROYEJ-UHFFFAOYSA-N 330.354 1.749 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(N(C)C)cc2)CC1 70012456 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0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)NCc1ccccc1 9514079 UIWWTGSHZDPYPN-HNNXBMFYSA-N 334.416 1.787 0 40 EDAB CC(C)CNC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1 97123983 HEBPIFRMCIUYBO-CYBMUJFWSA-N 328.459 1.522 0 40 EDAB CCCc1nc([C@H]2CN(C(=O)[C@H]3CCCCN3CCC)CCO2)n[nH]1 78890209 DVLFRVGBSOECRR-HUUCEWRRSA-N 349.479 1.922 0 40 EDAB NC(=O)c1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1 78814612 GCHKXJYWXNHNGI-ZDUSSCGKSA-N 347.758 1.780 0 40 EDAB O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 95365179 PMWKIXFIDLSSBU-SNVBAGLBSA-N 345.428 1.846 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C(=O)CCc3cccs3)C2)n[nH]1 78900096 YVQQDBVSXHMJBN-NSHDSACASA-N 332.429 1.909 0 40 EDAB CC[C@H]1CN(C(=O)c2cc(F)cc3[nH]cnc23)C[C@H]1N1CCOCC1 84736005 OWASEJNTPUNSCL-BLLLJJGKSA-N 346.406 1.885 0 40 EDAB CN(C)C[C@](C)(O)CNC(=O)Nc1cc(Cl)ccc1N(C)C 95434435 WTVRXURWZBXTBW-OAHLLOKOSA-N 328.844 1.840 0 40 EDAB O=C(CN1CCCN(C(=O)c2cc(C3CC3)on2)CC1)N1CCCC1 73705006 BXGCYHCRGZZESC-UHFFFAOYSA-N 346.431 1.322 0 40 EDAB COc1ccc(OC)c(CC(=O)NCc2ccnc(N(C)C)n2)c1 95986984 RXVXYIKNEAHJFL-UHFFFAOYSA-N 330.388 1.419 0 40 EDAB Cc1cc(C(=O)CN2CCCC[C@@H]2C(=O)N2CCOCC2)c(C)[nH]1 95992483 DGNKAMKTULKYGX-MRXNPFEDSA-N 333.432 1.528 0 40 EDAB CSc1ccc(CNC(=O)NCCc2nnc3n2CCC3)cc1 86371368 MFXIJGJITBCMST-UHFFFAOYSA-N 331.445 1.988 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 89651234 LZPIWCXZHQJWQC-AWEZNQCLSA-N 328.409 1.229 0 40 EDAB CC(C)N1C(=O)N[C@](C)([C@@H]2CCCN(Cc3nccn3C)C2)C1=O 89869814 HDGPCXQWAYOVGO-CXAGYDPISA-N 333.436 1.351 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)CCCn1nnc(-c2ccccc2)n1 89937945 OWGTZTLBTQCTTO-CQSZACIVSA-N 328.420 1.283 0 40 EDAB CC[C@@H](CNC(=O)NCc1cccnc1-n1cccn1)N1CCCC1 89943413 NODYTEZONHCLOJ-INIZCTEOSA-N 342.447 1.941 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2ccc(N3CCNC3=O)cc2)C[C@@H](C)O1 89936680 GRYFQJOSBQHVQE-ZIAGYGMSSA-N 346.431 1.055 0 40 EDAB COCc1cccc(CNC(=O)N[C@@H](C)c2nnc3n2CCC3)c1 89913809 SQBIPEASIQLPFG-LBPRGKRZSA-N 329.404 1.931 0 40 EDAB CCNC(=O)CN(CC)C(=O)c1cccc(Nc2cnn(C)c2)c1 89977401 SAHMMKORBAENFA-UHFFFAOYSA-N 329.404 1.762 0 40 EDAB Cc1cc(C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)n(C)n1 89962595 VYEUDZQWMJJRLJ-CVEARBPZSA-N 328.416 1.094 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)C2 75572999 SYLDIPOAWKSIAW-OAHLLOKOSA-N 347.440 1.481 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(OC)cc2)[C@@]1(COC)C(=O)O 218087721 GDXYXEFNQZLUFE-GZBFAFLISA-N 328.386 1.313 0 40 EDAB Cn1cc(-c2ncc(C(=O)N3CCN(CC(F)F)CC3)s2)cn1 69698713 JRXPYAZMERCKGQ-UHFFFAOYSA-N 341.387 1.567 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)c3ccc(F)c(F)c3)nn12 60382528 JERPMTCJESAODB-UHFFFAOYSA-N 332.266 1.751 0 40 EDAB O=C(NC[C@@H]1CCC(F)(F)CO1)N1CC[C@H]2[C@H]1CCCN2CCO 1553245024 ZXCWSONFZGPBMI-MELADBBJSA-N 347.406 1.041 0 40 EDAB NC(=O)c1cc(-c2csc(CCN3CCCC3=O)n2)ccc1O 30447809 DUFLIKVSWZHUAD-UHFFFAOYSA-N 331.397 1.780 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1CO[C@@H]2CN(Cc3ccoc3)C[C@H]12 306141484 VXTDLWJYEPHZNW-ZMSDIMECSA-N 329.400 1.495 0 40 EDAB CCCN1CCC[C@@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 78914581 QYOFROINLQLLAT-GOSISDBHSA-N 336.524 1.347 0 40 EDAB NC(=O)[C@H]1CCCN(CCCNC(=O)c2cc3ccccn3c2)C1 73271173 PBAPXWYJLQTKNA-AWEZNQCLSA-N 328.416 1.257 0 40 EDAB CC(C)N1CCN(CCCn2c(-c3cccs3)noc2=O)CC1 188302378 XFHBBAROVHWOOQ-UHFFFAOYSA-N 336.461 1.981 0 40 EDAB C[C@]1(CO)CCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1 544774717 QSWDDPYBAMRRAH-GOSISDBHSA-N 327.384 1.279 0 40 EDAB Cc1nc(=O)c2cccnc2n1C1=CCN(C(=O)c2cccnc2)CC1 72396443 OZKVDRRHECXUNC-UHFFFAOYSA-N 347.378 1.882 0 40 EDAB CS(=O)(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1 70638594 IKDHFLAFZYILOQ-UHFFFAOYSA-N 327.387 1.306 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)CCO1 78883624 WWHMIMJEVNNHEC-UPJWGTAASA-N 342.317 1.522 0 40 EDAB CNc1ncccc1CN1CCO[C@H](c2cc(N(C)C)nc(C)n2)C1 72387845 WCMXLOMNPDJWNN-INIZCTEOSA-N 342.447 1.861 0 40 EDAB C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCN(CC(=O)N(C)C)CC1 79043636 NIILCEIWNLSXBP-HZPDHXFCSA-N 339.480 1.204 0 40 EDAB COCC(=O)N1CCC[C@H](c2ccc(Nc3cnccn3)cn2)C1 72353298 WIWAWZOVIUSEJN-ZDUSSCGKSA-N 327.388 1.968 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC(Cc3ccnn3C)CC2)CC1 72367492 KMDADTNVQLDKQW-UHFFFAOYSA-N 334.464 1.048 0 40 EDAB CCOC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)CC)cc1 225958181 CLCXZYCNLVNZNW-UHFFFAOYSA-N 342.417 1.012 0 40 EDAB COCCOCCCNS(=O)(=O)c1ccc(Cl)cc1F 48381825 FJDXXMSKUQRTET-UHFFFAOYSA-N 325.789 1.811 0 40 EDAB COC(=O)[C@H](C)NC(=O)c1cc(=O)c(OCc2ccccc2F)co1 40267227 UFATYRNEEKDDHU-JTQLQIEISA-N 349.314 1.649 0 40 EDAB CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CCN(Cc3cncn3C)C2)C1 96219871 GUCJFYMYHMPERK-HKUYNNGSSA-N 341.459 1.681 0 40 EDAB O=C(c1ccnnc1)N1CCC2(CC1)Cc1ccccc1CNC2=O 96088868 FSVJGRRMWQQPHS-UHFFFAOYSA-N 336.395 1.572 0 40 EDAB Cc1noc(C)c1CCNS(=O)(=O)Cc1cccc(C(=O)O)c1 578440079 GNEZZXUXJCITJS-UHFFFAOYSA-N 338.385 1.652 0 40 EDAB O=C(C[C@H]1OC[C@H]2CN(C3CCC3)CC[C@H]21)NCc1cccnc1 96206461 VEBVLWFEWIUXOV-KBAYOESNSA-N 329.444 1.977 0 40 EDAB COCCN1[C@H]2CCN(C)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263921 OAFMNEFJZMZULJ-KBPBESRZSA-N 340.445 1.179 0 40 EDAB O=C([C@H]1CCCO1)N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1 96226420 XTFYKYKOOPGSID-CRAIPNDOSA-N 349.406 1.598 0 40 EDAB Cn1ccnc1CN1CCC[C@]2(CCN(CCN3CCCC3)C2=O)C1 96224248 ATDMDDOPHKPLTQ-IBGZPJMESA-N 345.491 1.330 0 40 EDAB O=C(NC[C@H]1OCCc2cn(Cc3ccccn3)nc21)c1ccco1 96059793 JABLYBCBPHYUHW-MRXNPFEDSA-N 338.367 1.963 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(CC(=O)N(Cc3csc(C)n3)C2)C1 96239377 QVQYFMMFRZHJNU-CQSZACIVSA-N 343.474 1.226 0 40 EDAB CCOc1cc(CO)cc(Cl)c1OCC(=O)N1CCOCC1 95095162 PNDNJKXMPOKEFK-UHFFFAOYSA-N 329.780 1.469 0 40 EDAB COCC(=O)N1Cc2cncn2C[C@H](COCc2ccncc2)C1 96208319 AQZCQGUNKDCQIN-OAHLLOKOSA-N 330.388 1.100 0 40 EDAB CCC(=O)N1CCOC[C@]2(CC[C@@H](CN(C)Cc3cccnc3)O2)C1 96160653 VYPVWYRKNIOFRU-HKUYNNGSSA-N 347.459 1.700 0 40 EDAB C[C@@H](C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)n1cncn1 96420033 RMUNMHGQZIVSLC-GZMMTYOYSA-N 329.187 1.996 0 40 EDAB COCCC(=O)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 96188030 CTQRLGCQWOWNEX-CQSZACIVSA-N 330.388 1.352 0 40 EDAB Cc1c(S(=O)(=O)N2CCC(=O)C[C@@H]2c2ccccc2)cnn1C 583651329 JRDXKLFFPYUIDC-OAHLLOKOSA-N 333.413 1.823 0 40 EDAB C[C@H]1OCCN[C@@H]1C(=O)NCCNc1ncccc1C(F)(F)F 583617632 SWAXLEOAHFGAAG-KOLCDFICSA-N 332.326 1.005 0 40 EDAB CC(C)(O)Cn1nnc(C2(NC(=O)c3ccccc3)CCCC2)n1 96408707 VDGRNZKICJWGNY-UHFFFAOYSA-N 329.404 1.643 0 40 EDAB CCOCC(=O)N1Cc2cncn2[C@@H](COCc2ccncc2)C1 248289888 KGDRCEVLVFSQAS-MRXNPFEDSA-N 330.388 1.415 0 40 EDAB O=C(NCc1ccc2c(n1)CCCC2)[C@H]1CCCN1C(=O)C1CC1 585085566 GWOUQXMRXSWJJU-QGZVFWFLSA-N 327.428 1.978 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cccnc2)C[C@H]1c1ccccc1 257327298 XAWGMSILYVBABO-KRWDZBQOSA-N 345.424 1.676 0 40 EDAB CC[C@H](CS(=O)(=O)Nc1nnn(-c2ccc(F)cc2)c1C)OC 585129239 CKTLFGOWRPAHJI-CYBMUJFWSA-N 342.396 1.882 0 40 EDAB COc1c[nH]nc1NC(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 585120060 MKTREIFGIJDURQ-UHFFFAOYSA-N 331.376 2.509 0 40 EDAB Cc1ccccc1S(=O)(=O)N(C)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257286211 PKSUUTISEGBWQX-IIAWOOMASA-N 335.429 1.577 0 40 EDAB CN(C)c1nc([C@@H]2CCN(C(=O)c3cccnc3)C2)cn2nccc12 257239585 HPZTTXOFPAHTKW-CQSZACIVSA-N 336.399 1.820 0 40 EDAB Cc1cc(C)nc(N2CCC3(CC2)C[C@H](N(C)C)[C@@](C)(O)CO3)n1 257286312 PLCDLJQWKTTZBM-RDJZCZTQSA-N 334.464 1.534 0 40 EDAB CC(C)c1noc(CCC(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)n1 257208445 BMEGUVVKDJBJMF-UONOGXRCSA-N 348.447 1.985 0 40 EDAB C[C@]1(c2[nH]ncc2S(C)(=O)=O)CCCN(C(=O)c2cccnc2)C1 257221531 DPLULHLWTVRVLM-INIZCTEOSA-N 348.428 1.402 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257344406 ZXBOFUFVRQXWKN-GOSISDBHSA-N 340.427 1.994 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccc(OC)cc2)C1 260728410 AWIXDMOOEKLJML-ZDUSSCGKSA-N 340.445 1.720 0 40 EDAB O=C(NC1CCN(c2cccnn2)CC1)[C@H](C1CC1)N1CCCC1 277460925 GNKXEUZPSUCVFH-KRWDZBQOSA-N 329.448 1.436 0 40 EDAB Cc1cc(C(=O)O)c(F)c(S(=O)(=O)NC[C@H]2CCOC[C@@H]2C)c1 285545614 SDPKACWUYBJCLS-WDEREUQCSA-N 345.392 1.783 0 40 EDAB CC(C)C[C@](C)(CC(=O)O)C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 634919956 YUKNGHZERVNVRI-KBRIMQKVSA-N 327.421 1.920 0 40 EDAB COc1cccc([C@H](C)C(=O)N[C@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1615586550 OPIYBTCHEPUYBO-JSGCOSHPSA-N 342.399 1.454 0 40 EDAB c1cncc(CN2Cc3ccnn3CC[C@@H]2CN2CCOCC2)c1 585097823 RBRLNXSRQHCGOU-QGZVFWFLSA-N 327.432 1.385 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)Cn2ccnc2)CCO1 585275218 APKZNDSSHXRJGO-GOSISDBHSA-N 329.400 1.024 0 40 EDAB O=C(N1CC[C@]2(C1)C(=O)NC[C@H]2COc1cccnc1)C1(F)CCC1 585105199 QBGKKQAPRCUWQY-SUMWQHHRSA-N 347.390 1.317 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCc1ccc(F)cc1 55024730 IFOGGGQOXDRFSD-UKRRQHHQSA-N 335.423 1.412 0 40 EDAB COc1ccc(CNCc2c(C)nn(C)c2N2CCOCC2)cn1 58392390 ZJZSMYGHJUUQLB-UHFFFAOYSA-N 331.420 1.259 0 40 EDAB Cc1cc(C)cc(OCCNC(=O)NCCCN2CCN(C)CC2)c1 56820538 KTHVTDKMZPORAB-UHFFFAOYSA-N 348.491 1.619 0 40 EDAB CCc1n[nH]cc1C(=O)N1CCCN(Cc2nccn2CC)CC1 69952126 BUAXKJHTSDHBFW-UHFFFAOYSA-N 330.436 1.537 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2c(C)c(C)n[nH]c2=O)n1 70010461 FANDJVOEPLYIFU-CQSZACIVSA-N 329.404 1.505 0 40 EDAB COc1cccc(C(=O)N2CCN(C[C@H](O)C3CC3)CC2)c1OC 85436609 RQPGCSDJSXQEFJ-HNNXBMFYSA-N 334.416 1.233 0 40 EDAB O=S1CCN(Cc2ccc(I)cc2)CC1 88185392 DQEONDYRNYSFLG-UHFFFAOYSA-N 335.210 1.856 0 40 EDAB Cc1c(Br)ccc(F)c1C(=O)NCc1nnn(C)n1 1614420425 YUELQILFBLETLU-UHFFFAOYSA-N 328.145 1.350 0 40 EDAB COc1ccccc1NC(=O)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549166562 GFYNKYKKHAWHJQ-UHFFFAOYSA-N 331.372 1.855 0 40 EDAB COc1cc(C2=NO[C@H](C(=O)N3CCCC3)C2)cc(OC)c1OC 5030997 RLDXQUPWBVYZGI-HNNXBMFYSA-N 334.372 1.828 0 40 EDAB CCCc1nn(CC(=O)NC2CC2)c(=O)c2cc3ccsc3n12 12181658 ANAZXHNICZSHNK-UHFFFAOYSA-N 330.413 1.942 0 40 EDAB Cc1cnc(C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)cn1 12366123 WBCMKLCNYZCFCC-HNNXBMFYSA-N 326.400 1.750 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)Oc1ccc2c(c1)OCO2 14471062 SMYKKCFELADFQU-UHFFFAOYSA-N 327.292 1.746 0 40 EDAB CCOC[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc(C)nc32)CCO1 527826593 KWZRVSRWCFPAAS-CABCVRRESA-N 336.436 1.516 0 40 EDAB O=S(=O)(c1cnc[nH]1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888869778 PRGAYTAYAXVDNK-LLVKDONJSA-N 349.416 1.167 0 40 EDAB CC(C)(CNC(=O)c1cc(=O)[nH]c2ccccc12)N1CCOCC1 25765146 XOQKWQXDZFZCBC-UHFFFAOYSA-N 329.400 1.369 0 40 EDAB CCOC(=O)c1ccc(N2CCN(Cc3nc(C)no3)CC2)nc1 26141296 RWEMIGGRGGRWJL-UHFFFAOYSA-N 331.376 1.272 0 40 EDAB NC(=O)COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 28256733 VVMYNDQVSQLCOW-UHFFFAOYSA-N 346.408 1.840 0 40 EDAB CCn1cc(Br)c(C(=O)NCc2c(C)nn(C)c2C)n1 28234768 YUTXNEYYPLWWTP-UHFFFAOYSA-N 340.225 1.946 0 40 EDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccc(F)c(F)c1 2037971248 IVVBHNVDAYTWLZ-ZSYWTGECSA-N 349.377 1.474 0 40 EDAB Cc1ncc(C(=O)N2CC[C@@H]3C[C@@]32C(=O)N2CCC(C)CC2)c(C)n1 2056225231 KPGDBHRWCXZXQY-BEFAXECRSA-N 342.443 1.957 0 40 EDAB O=C(N1CC[C@H]2CN(C3CCOCC3)CCO[C@@H]2C1)C1(F)CC1 1565547886 YBAHFNAICPCSIG-DZGCQCFKSA-N 326.412 1.217 0 40 EDAB COc1ccc(NC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)cc1 424197 DYGJNQIOAYPMED-UHFFFAOYSA-N 339.351 1.727 0 40 EDAB O=C(Nc1ccc(SCC(=O)N2CCOCC2)nn1)c1ccco1 11739222 CNRALPBKIZAHNC-UHFFFAOYSA-N 348.384 1.273 0 40 EDAB Cc1ccc(CN[C@H]2CCc3onc(CNS(C)(=O)=O)c3C2)cc1 2055729867 VUYWJKPZYBPWAK-AWEZNQCLSA-N 349.456 1.679 0 40 EDAB CCOC(=O)c1ccc(Nc2n[nH]c3nc4[nH]ncc4c(=O)n23)cc1 100858004 CLORFSDEPBWRQM-UHFFFAOYSA-N 339.315 1.214 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)O[C@H]1CCCCNC1=O 40025141 PKQWAVLIFSHJDN-ZDUSSCGKSA-N 329.356 1.706 0 40 EDAB CC(C)CNC(=O)CNC(=O)Nc1cc(F)c(N(C)C)c(F)c1 50058272 SZZJQFQUTQHNRS-UHFFFAOYSA-N 328.363 1.925 0 40 EDAB COC(=O)c1cccc(C(=O)N(CCC(N)=O)Cc2ccccc2)c1 20120008 NFMHGXYASDZJOY-UHFFFAOYSA-N 340.379 1.991 0 40 EDAB COc1ccc(CC(=O)Nc2ccc(-n3cnnn3)c(OC)c2)cc1 40288333 NZTNZKFUSHFUSP-UHFFFAOYSA-N 339.355 1.861 0 40 EDAB CN(Cc1nccn1C(F)F)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 31153283 PCMWJPYFCPQBJJ-UHFFFAOYSA-N 348.309 1.776 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCCN1CCc2ccccc2C1 31338671 UBHHMRMYEQHMRC-UHFFFAOYSA-N 337.423 1.591 0 40 EDAB CC(C)OCc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 40475526 XVGHPLOTHPSZGY-UHFFFAOYSA-N 340.445 1.329 0 40 EDAB C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccn1 40463083 ICSQREWZDFYXRI-NSHDSACASA-N 345.380 1.104 0 40 EDAB Cc1cnc2c(S(=O)(=O)N[C@@H](C)CN3CCOCC3)cccc2c1 40528165 GVIZWJBKSDYCMA-AWEZNQCLSA-N 349.456 1.542 0 40 EDAB CC(C)n1[nH]cc/c1=N\C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 101681402 JBFZSCPSYPSNGZ-YJJAPZNASA-N 333.436 1.941 0 40 EDAB C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)CSc1nncn1C1CC1 101985421 CIVVNVRPGOKMMQ-LNLNWCRDSA-N 332.433 1.933 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)[C@@H](C)n2cncn2)CC1 29755481 RJDLQWBVEJHZCY-CQSZACIVSA-N 329.404 1.587 0 40 EDAB c1ccc(-n2nnnc2CCCN2CCC[C@H]2Cn2cccn2)cc1 69902144 FBKFAKBKSCTCSX-KRWDZBQOSA-N 337.431 1.956 0 40 EDAB CC(=O)N(C)CC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 69948165 SVJPUZBCRPDJGW-UHFFFAOYSA-N 337.273 1.778 0 40 EDAB CCOC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 2462031 JTNKXJRSAMLJJP-VXGBXAGGSA-N 340.426 1.544 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)NCc1ccc(F)cc1 32903844 FTNSWXOMORWLCV-UHFFFAOYSA-N 333.367 1.614 0 40 EDAB CCOC(=O)N[C@H](C(=O)N1CCN(c2nccs2)CC1)C(C)C 32912201 BCBZNIXLDSODIW-LBPRGKRZSA-N 340.449 1.562 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@H]1Cn1cccn1 71866464 VHJIPMNFKXZHND-MRXNPFEDSA-N 337.387 1.093 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@H](N2CCNC2=O)C1 71830605 KOMONWCKBKMXOW-AWEZNQCLSA-N 345.399 1.017 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)Nc3nncs3)cn2)CC1 60857436 SVSXYZWQTFKMQI-UHFFFAOYSA-N 347.448 1.397 0 40 EDAB O=C(NC[C@@H](O)Cc1ccccc1)C1CCN(c2cnccn2)CC1 71856883 JDWWEGDNHVROTC-KRWDZBQOSA-N 340.427 1.413 0 40 EDAB Cc1ccccc1-c1nnn(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)n1 53115221 WYYMEGNDNBMZIW-JKSUJKDBSA-N 341.415 1.819 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccccc1 41792772 SGLFZYHLVFPVQM-HOTGVXAUSA-N 341.342 1.662 0 40 EDAB COc1cc(N2CCC[C@]3(C[C@@H](CN4CCOCC4)CO3)C2)ncn1 107790510 KHMYICPPSZOJLN-YJBOKZPZSA-N 348.447 1.193 0 40 EDAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O 41841896 MDQULEJHPYHRFR-WHANRRFUSA-N 347.459 1.184 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 53475905 PWTWBWKCZANMME-SECBINFHSA-N 340.326 1.386 0 40 EDAB COc1ccc([C@H](NC(=O)CNC[C@@H]2CN(C)CCO2)C2CC2)cc1 71879298 PNBLLWGYBIJNHB-IEBWSBKVSA-N 347.459 1.183 0 40 EDAB CCn1nccc1CNc1nnc(-c2ccc(S(C)(=O)=O)cc2)o1 97085408 CSTXWFSIORBMAV-UHFFFAOYSA-N 347.400 1.969 0 40 EDAB O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(F)c(Cl)c1 97013400 PRDKTGUVWXCFTA-LLVKDONJSA-N 330.772 1.884 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1)c1ccccn1 47594095 RLTKDEUWTXHUAM-HOCLYGCPSA-N 345.424 1.657 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)cn1 75602407 QRQZFGMTAFUUMP-LBPRGKRZSA-N 347.806 1.853 0 40 EDAB CN(C)c1ncc(Br)cc1C(=O)Nc1c[nH]ccc1=O 72282056 IBFNRFYNYRDZGK-UHFFFAOYSA-N 337.177 1.851 0 40 EDAB C[C@@H]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C)CC(C)(C)C1 1273266 PEXSVDCNWCUXOL-LLVKDONJSA-N 333.436 1.233 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CC[C@H](N(C)Cc3noc(C)n3)C2)on1 76047264 XYCRKXMOONKIOM-AAEUAGOBSA-N 348.407 1.208 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc2c(c1)CCO2 25291672 YMGWPXYYKLYETA-UHFFFAOYSA-N 339.395 1.783 0 40 EDAB CC(C)c1nnc(NC(=O)N2CCN(c3cnccn3)CC2)s1 43696282 GFHZZUIPNMKTBN-UHFFFAOYSA-N 333.421 1.806 0 40 EDAB Cc1cc(C)cc(OCCNC(=O)N2CCC(CC(N)=O)CC2)c1 56820856 SZTVJFMPSGDHPP-UHFFFAOYSA-N 333.432 1.979 0 40 EDAB CC[C@@H](C)[C@H](O)CNC(=O)Nc1ccc(CS(C)(=O)=O)cc1 72289441 DOQGIMOOIVGDKT-BXUZGUMPSA-N 328.434 1.760 0 40 EDAB Cc1ccccc1CN1CCCN(C(=O)c2ccc(=O)n(C)n2)CC1 27387029 LXEJIRDJSUJJPO-UHFFFAOYSA-N 340.427 1.437 0 40 EDAB Cc1cccc([C@H]2CCCN2CC(=O)N2CCC(C(N)=O)CC2)c1 48291005 TXGVQIDYPVLQJA-QGZVFWFLSA-N 329.444 1.856 0 40 EDAB CCCCNC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 27555805 KIVUQZFHTSRTIR-LLVKDONJSA-N 325.434 1.001 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NCc2ccnc(N3CCCC3)c2)C1 48273187 VVXOWAYTCRFGEC-INIZCTEOSA-N 345.447 1.492 0 40 EDAB Cc1cccc(C(=O)N[C@H](C(=O)OCc2nccc[n+]2[O-])C(C)C)c1 58158284 CHFGPQMNHSKAJA-INIZCTEOSA-N 343.383 1.521 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCN1CCOCC1 48251392 TZWOYHUWQVCRPH-SFHVURJKSA-N 343.427 1.399 0 40 EDAB CC(C)Sc1ncccc1C(=O)N1CCC2(CC1)NC(=O)NC2=O 58296781 FYFSJKRDOSXXBQ-UHFFFAOYSA-N 348.428 1.396 0 40 EDAB CC(C)[C@H](CNC(=O)CN(C)S(C)(=O)=O)Nc1ccccc1 58282042 STIQQPXPMXYSRW-AWEZNQCLSA-N 327.450 1.131 0 40 EDAB COCCCNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113941432 FHSLTFHKJUTVDN-NSHDSACASA-N 348.852 1.647 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCC(CN3CCOCC3)CC2)c1 36103405 JANATRQZHKONPL-UHFFFAOYSA-N 348.443 1.888 0 40 EDAB COc1cccc(CC(=O)N2CCN([C@H](C)c3nnc(C)o3)CC2)c1 58343243 KTBYRWAYEVZGBY-CYBMUJFWSA-N 344.415 1.835 0 40 EDAB Cc1nc(CNC(=O)NC[C@H](C(C)C)N2CCOCC2)cs1 45342345 KFYNNNARCZEMNL-CQSZACIVSA-N 326.466 1.608 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2cncn2)cc1 11608189 ODNJVHCSQASTFI-UHFFFAOYSA-N 336.351 1.985 0 40 EDAB Cc1ccccc1[C@@H](C)NC(=O)Cn1nnn(-c2ccccc2)c1=O 12872641 XJKLWEQKDSMEGS-CQSZACIVSA-N 337.383 1.615 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2csc(C)n2)C(N)=O)cc1 71841583 FYWHMRMSKZHEAM-ZDUSSCGKSA-N 347.440 1.924 0 40 EDAB CC1CCN(CC2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)CC1 71819961 MWVHPSIAUQJEOI-UHFFFAOYSA-N 331.460 1.969 0 40 EDAB CC(C)[C@H](C(=O)N1CCNC(=O)CC1)N1CCc2ccccc2C1 71839444 GNQASBLCNHLRHZ-GOSISDBHSA-N 329.444 1.418 0 40 EDAB Cc1c(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)cnn1C(C)C 92553992 YDYUIFKSANOPEF-UHFFFAOYSA-N 326.360 2.000 0 40 EDAB COc1cc(C(=O)N2CCOCC2)cc(OC)c1Br 12973848 FEYOQKLYBDYRAL-UHFFFAOYSA-N 330.178 1.939 0 40 EDAB COc1ccc([C@@H](NC(=O)CSc2nnnn2C)C(C)C)cc1 13004941 UCVFPOYYBRVOKQ-AWEZNQCLSA-N 335.433 1.824 0 40 EDAB C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)C[C@@H](C)O1 13395063 JBVPLLBTQUDUCG-TXEJJXNPSA-N 345.848 1.891 0 40 EDAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)OCC(=O)N[C@H](C)C2CC2)cc1 63990555 FHFOXONWZXLJNW-GFCCVEGCSA-N 343.383 1.546 0 40 EDAB CCCCCn1c(SC[C@H](C)O)nc2c1c(=O)[nH]c(=O)n2C 13590361 QDVZYENCBAPCDE-VIFPVBQESA-N 326.422 1.086 0 40 EDAB CC(=O)c1ccc(NC(=O)C[C@@H]2N=C(N3CCOCC3)N=C2O)cc1 13693329 QPCFWGFCWPOYAX-AWEZNQCLSA-N 344.371 1.245 0 40 EDAB O=C(N[C@H]1CCCc2c1cnn2CCO)N(C[C@@H]1CCOC1)C1CC1 65428960 DSWNNWBTSBSRMH-BBRMVZONSA-N 348.447 1.463 0 40 EDAB NC(=O)CN(C(=O)c1ccc(=O)n(-c2ccccc2)n1)C1CCCC1 65548634 FLAZWZRCYRCBOJ-UHFFFAOYSA-N 340.383 1.103 0 40 EDAB O=C1C[C@H](N(C(=O)c2cc(-c3ccccc3)on2)C2CC2)C(=O)N1 65521990 MVXRKHHAQHRQIA-ZDUSSCGKSA-N 325.324 1.361 0 40 EDAB CNC(=O)[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)C(C)(C)C 5383737 BYQJJSMAWPKCQK-ZDUSSCGKSA-N 339.823 1.347 0 40 EDAB CCC(=O)c1ccc(OCC(=O)NCC(C)(C)N2CCOCC2)cc1 14135217 DBZURHPHCQPRIN-UHFFFAOYSA-N 348.443 1.885 0 40 EDAB CCc1nnc(NC(=O)CCc2c(C)nc(SC)[nH]c2=O)s1 14138782 WSISHAAJULRNIS-UHFFFAOYSA-N 339.446 1.785 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCCc1ccccc1 14140188 HZVYHMKOJHHIJW-SFHVURJKSA-N 337.423 1.258 0 40 EDAB COc1ccc(Br)cc1CN(C)C(=O)CCNC(C)=O 14119258 YZXZPSGMVVIORT-UHFFFAOYSA-N 343.221 1.942 0 40 EDAB COc1ccnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 14125455 LYZZVXQURXMDLT-UHFFFAOYSA-N 345.378 1.385 0 40 EDAB C[C@H]1CN(CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C[C@@H](C)O1 14198009 JORSRHOAUSQGEM-JKDFXYPNSA-N 335.379 1.659 0 40 EDAB O=C(CN1CCN(c2nccs2)CC1)NCCc1ccccc1 65624926 DNPJCZZVZCGZLY-UHFFFAOYSA-N 330.457 1.624 0 40 EDAB CN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)C1=O 409191992 RXBJBGYXLHTFFG-RUDMXATFSA-N 345.138 1.979 0 40 EDAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 7054398 LPZSOYOOWACYCP-UHFFFAOYSA-N 347.396 1.805 0 40 EDAB COc1ccc(CC(=O)NCc2c(C)cc(C)[nH]c2=O)c(OC)c1 7118617 RUJHYBGTNPVOFR-UHFFFAOYSA-N 330.384 1.868 0 40 EDAB O=S1(=O)CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)C1 7308409 DKBYQCKIXLTASR-MRVPVSSYSA-N 344.241 1.459 0 40 EDAB CN1CC[C@@H](NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1=O 80402833 OZTNXIWHOSJGLN-CYBMUJFWSA-N 326.356 1.575 0 40 EDAB O=C(Cn1cnnn1)Nc1cccc(Cn2cnc3ccccc32)c1 68146587 MHMKZISGYWXZRU-UHFFFAOYSA-N 333.355 1.710 0 40 EDAB CN1C[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1=O 91153641 KMHCNQXQBVXEGW-WDBKCZKBSA-N 340.782 1.904 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)COc2ccc(C(N)=O)cc2)cn1 71796603 LJGCIKGMORCMGA-HNNXBMFYSA-N 328.372 1.262 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)C)cc1Cl 408588113 CKGJGLBWFNQBLM-JTQLQIEISA-N 348.852 1.930 0 40 EDAB C[C@@H](C(=O)NCc1cccs1)N1CCO[C@H](Cn2cccn2)C1 69417292 SELQXFQGQCJOJK-KBPBESRZSA-N 334.445 1.350 0 40 EDAB COc1ccc(CNC(=O)N2CCNC(=O)[C@@H]2C(C)C)cc1OC 69516866 IUJQJDHJPVJHAD-HNNXBMFYSA-N 335.404 1.370 0 40 EDAB CN(C)C(=O)Cc1nc(CN2CCCC[C@H]2Cn2cncn2)cs1 69583011 GSDWFISKYVWJDW-AWEZNQCLSA-N 348.476 1.420 0 40 EDAB CCN(Cc1cccc(F)c1)C(=O)CCC(=O)NCCNC(C)=O 69633068 SSNPOFDRAIQLJG-UHFFFAOYSA-N 337.395 1.207 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N1CCN([C@H](C)c2cccc(OC)c2)CC1 69654241 YGTWXXRCRWEDIB-ZIAGYGMSSA-N 348.447 1.218 0 40 EDAB COCCN1CCN(CC(=O)NC[C@H]2CCCc3ccccc32)CC1 69654067 ZXROQPYVLXNNHB-GOSISDBHSA-N 345.487 1.487 0 40 EDAB Cc1cc(N2CCO[C@@H](CN(C)C)C2)n2nc(C(F)(F)F)nc2n1 69665362 SAANPDZJXIIQEK-JTQLQIEISA-N 344.341 1.218 0 40 EDAB CC(C)c1nc(CCNC(=O)N[C@@H]2CCS(=O)(=O)C2)cs1 69775115 KENWIHXXNWIBPT-LLVKDONJSA-N 331.463 1.295 0 40 EDAB CCc1nc(CN2CCC[C@@H](NCc3nnc(C4CC4)o3)C2)no1 69700147 YFSMRJWGNZNXHO-GFCCVEGCSA-N 332.408 1.647 0 40 EDAB CCN(C(=O)CN1CCN(CCO)CC1)[C@@H](C)c1ccc(F)cc1 69896359 WHKVAXVSIGPZPM-HNNXBMFYSA-N 337.439 1.345 0 40 EDAB CCc1c(C(=O)N(C)CCN2CCCC2=O)cnn1-c1ccccn1 69809192 JKHCFZBNDGDPNW-UHFFFAOYSA-N 341.415 1.524 0 40 EDAB O=C(Cn1cncn1)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 71896234 CBQOEVQLGDPCDS-UHFFFAOYSA-N 348.794 1.308 0 40 EDAB Cc1c(CNC(=O)Nc2cccc(-c3ncn(C)n3)c2)cnn1C 97163478 COGXOTYDRLDATI-UHFFFAOYSA-N 325.376 1.846 0 40 EDAB C[C@@H]1CCc2ccccc2N1CCC(=O)N[C@@H]1CCN(C(N)=O)C1 78966206 RIJKDSMSBFBHBC-UKRRQHHQSA-N 330.432 1.487 0 40 EDAB Cn1ccnc1CN1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 95450216 IYGLDPGTYPHSNR-UHFFFAOYSA-N 334.445 1.146 0 40 EDAB Cc1ccccc1OCCN1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 95407284 MBTGWUBDPYYKOH-GOSISDBHSA-N 343.471 1.755 0 40 EDAB C[C@H](CCN1CCCC1)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 95400527 YAYRMASEPJERDX-MJGOQNOKSA-N 345.487 1.878 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1COc2ccccc2C1=O 95444693 ZDGICMWMZOEZST-ZIAGYGMSSA-N 330.384 1.538 0 40 EDAB O=C(c1n[nH]c2c1CCC2)N1CCN(c2nncc3ccccc23)CC1 73102127 CGYDMCQPFOMJGR-UHFFFAOYSA-N 348.410 1.804 0 40 EDAB COc1cccc(NC(=O)NC2CCN([C@H]3CCOC3=O)CC2)c1 95996709 YXHDVEGFTFQIRJ-HNNXBMFYSA-N 333.388 1.597 0 40 EDAB COC(=O)[C@H]1CCCN1CC(=O)N(Cc1ccccc1F)C1CC1 95959745 YOEXJOMSCBHFSG-MRXNPFEDSA-N 334.391 1.954 0 40 EDAB C[C@H](NCC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 95984256 MNEPQPNKIXEQNZ-QWRGUYRKSA-N 346.399 1.166 0 40 EDAB COc1ccc([C@H]2C[C@@H]2C(=O)N2CCC(N3CCNC3=O)CC2)cc1 89439055 OPRJNAZKPGKDSU-SJORKVTESA-N 343.427 1.815 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@@H](O)c2ccc(F)cc2)c(=O)[nH]1 75111329 WQBDEWQFUMAVRD-OAHLLOKOSA-N 333.363 1.664 0 40 EDAB CC(C)N1CCC[C@@H](CNC(=O)NCCNC(=O)c2ccccc2)C1 75128129 ATTGVEFAXQBSFG-INIZCTEOSA-N 346.475 1.836 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)CCCc1nc2ccccc2c(=O)[nH]1 89937917 DCAJPBTYOHZHET-ZDUSSCGKSA-N 328.416 1.408 0 40 EDAB COc1ccc(CCNC(=O)CN2CCC[C@@H]2c2noc(C)n2)cc1 75573199 COLLMRCDQPKJLO-MRXNPFEDSA-N 344.415 1.882 0 40 EDAB C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 20325044 ADAIHSXKPCQUJA-NTCAYCPXSA-N 342.399 1.856 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)c3cc(CN(C)C)on3)CCO2)cc1 1549867483 UAEOMGXLVLWNKQ-KRWDZBQOSA-N 345.399 1.959 0 40 EDAB Cc1ccc2[nH]c3c(=O)n4c(nc3c2c1)S[C@@H]1CS(=O)(=O)C[C@@H]14 67341797 MKZWIUFCZOYATJ-WDEREUQCSA-N 347.421 1.630 0 40 EDAB O=C([C@@H]1NCc2ncncc21)N1CCCN(Cc2ccccc2)CC1 1553350049 TWXOBFBFONSUAT-GOSISDBHSA-N 337.427 1.355 0 40 EDAB COC[C@@H]1CN(C(=O)C[C@H]2COc3cc(OC)ccc32)C[C@@H](C)O1 527134903 GBGXPRUCCMVSHK-IPYPFGDCSA-N 335.400 1.824 0 40 EDAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1 32999405 FUBIUXSBOMFEAQ-CYBMUJFWSA-N 326.824 1.946 0 40 EDAB CN1C(=O)CO[C@H](C(=O)N2CCSCC2)[C@H]1c1cccc(F)c1 72241806 PXXALPJRLFBXEG-CABCVRRESA-N 338.404 1.299 0 40 EDAB CC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H]2CCCc3c[nH]nc32)cc1 564852943 VIAQIMHLNPGBNT-DOTOQJQBSA-N 344.415 1.775 0 40 EDAB O=C(CN1C(=O)CCC1=O)OCc1cc(-c2ccccc2F)on1 36662625 YKEGBGVHESJNFW-UHFFFAOYSA-N 332.287 1.673 0 40 EDAB CC(C)c1ccc(C(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)nc1 565902018 IKIGYPKUIXNGKH-CYBMUJFWSA-N 343.387 1.972 0 40 EDAB Cn1nnc2c(C(=O)N[C@@H](c3nccs3)C(F)(F)F)ccnc21 567382443 XIGGYZQSWREDAO-QMMMGPOBSA-N 342.306 1.853 0 40 EDAB CCOC(=O)c1csc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 71282311 QESIXTIHNFZLJE-SECBINFHSA-N 339.417 1.905 0 40 EDAB CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cnccn1 68825196 BBBJMHDPCYRTIV-JSGCOSHPSA-N 336.461 1.933 0 40 EDAB O=C(O)CCCNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 49549595 UXWXOGVECOZPEP-UHFFFAOYSA-N 333.319 1.030 0 40 EDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2cccnc2)cc1 40176775 YCWAEEQJUBGIHM-UHFFFAOYSA-N 331.353 1.536 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@H]1Cc2ccccc2[C@H]1O 195286625 QDLGUPNALGCKSS-WMLDXEAASA-N 333.409 1.940 0 40 EDAB CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1C 328789698 KXNXWIGGHZWIIN-CQSZACIVSA-N 347.394 1.670 0 40 EDAB CS(=O)(=O)C[C@H]1CCCCN1C(=O)CN1CCCCCCC1=O 571756298 XPRLEBMKOGPJAD-CQSZACIVSA-N 344.477 1.205 0 40 EDAB Cc1cc(O)c(I)c(=O)n1Cc1cccnc1 225733228 NFYRJWGNYLUODO-UHFFFAOYSA-N 342.136 1.910 0 40 EDAB CN(CCN1CCC(NC(=O)c2cnn(C)c2)CC1)c1ccccc1 85786731 AOFHRCKGRYISPA-UHFFFAOYSA-N 341.459 1.751 0 40 EDAB CC(C)NC(=O)CCNC(=O)COc1ccn(-c2ccccc2)n1 226853273 MDQXOTOOWPHWCB-UHFFFAOYSA-N 330.388 1.282 0 40 EDAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)NCCC(=O)N(C)C 226853185 UUZYYDFADUCREJ-ZDUSSCGKSA-N 330.388 1.234 0 40 EDAB Cn1cc(-c2noc(Cc3csc(NC(=O)C(C)(C)C)n3)n2)nn1 573120400 OASJLTYTKDRFNA-UHFFFAOYSA-N 347.404 1.897 0 40 EDAB Cc1cc(C)n(-c2ccc(N3CC[C@H](c4nc(C)no4)C3)nn2)n1 333673825 JMFACPQZYLQRGH-ZDUSSCGKSA-N 325.376 1.964 0 40 EDAB Nc1cc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)ccn1 193542787 IQDQHQKRQTWBHU-HNNXBMFYSA-N 338.477 1.490 0 40 EDAB Cn1ccnc1CN1C[C@H]2CN(C(=O)c3ccccc3)CCN2C1=O 85436123 XTBVTRNKPJDDJG-OAHLLOKOSA-N 339.399 1.182 0 40 EDAB biogenic,in-vitro CN(Cc1cccnc1)[C@@H]1CN(c2ncccn2)[C@@H]2CCCO[C@H]12 96186002 IQPSJVLUVSFCBB-ZACQAIPSSA-N 325.416 1.740 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(CCn2cccn2)c2ncccc2C1 96198996 UATJXEPARCEDPH-MRXNPFEDSA-N 341.415 1.306 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@@]2(C)CC(c3ccccc3)=NO2)CC1 96192736 MQZNGSGMWWWWAU-GOSISDBHSA-N 345.399 1.870 0 40 EDAB COCCN1C[C@@H]2CN(Cc3nccs3)CCC[C@]2(C(=O)O)C1 96185173 WYFLRHKQRZKZSG-BBRMVZONSA-N 339.461 1.388 0 40 EDAB CN1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)Cc3ccccc3)CC[C@@H]21 96185619 RPSLGSFLOITPLH-SQNIBIBYSA-N 339.443 1.442 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)CCN2CCS(=O)CC2)cc1 96445714 XHIWFOLNJUEHJU-UHFFFAOYSA-N 343.514 1.822 0 40 EDAB CN1CCC[C@H](C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 97095281 APOTXYFRFZVBNI-RBUKOAKNSA-N 345.487 1.601 0 40 EDAB Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3cnccc3c1)CC2 579483802 XIBGXSRKPAXFAJ-NSHDSACASA-N 325.397 1.956 0 40 EDAB COCC(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 96065123 CCEPNUFHDZHHDB-WMZOPIPTSA-N 334.416 1.642 0 40 EDAB O=C(Nc1nnc(-c2ccco2)s1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 579911542 PWLXBUMUSSABIC-DDLVRULKSA-N 332.385 2.031 0 40 EDAB CN1Cc2c(NC(=O)[C@@]34CCC(=O)N3CCS4)cccc2C1=O 580535886 MQOJCVBCUKSHLC-INIZCTEOSA-N 331.397 1.276 0 40 EDAB Cc1cc(CN2CCOC[C@H]2c2nccc(N3CCOCC3)n2)no1 96215132 AJENVBXGOOEHSG-HNNXBMFYSA-N 345.403 1.183 0 40 EDAB OC[C@H]1CN(c2ncnc3sccc23)C[C@H]1CN1CCOCC1 92061548 LSOGROMFXWXQFR-CHWSQXEVSA-N 334.445 1.068 0 40 EDAB CO[C@](C)(C(=O)N1CC(n2nc(C)nc2C)C1)c1ccccc1F 581385495 XXELNGVJTJSVNX-KRWDZBQOSA-N 332.379 1.979 0 40 EDAB COc1cccc(/C(C)=C/C(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)c1 583617780 RDUVMUSOHGTMBS-FHLIRTJZSA-N 342.399 1.727 0 40 EDAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1csnn1 583623141 TVEJLILUMYOZSK-QWRGUYRKSA-N 339.396 1.485 0 40 EDAB CN(Cc1nccc(N)n1)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 583620187 SBUWMWHQNJZQCV-SUMWQHHRSA-N 329.452 1.307 0 40 EDAB CC(=O)N1[C@H]2CCN(C(=O)c3ccoc3)C[C@H]2C[C@@H]1CN1CCCC1 96064381 JJFRRIJSQQABPK-KURKYZTESA-N 345.443 1.827 0 40 EDAB C[C@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@]12CCN(c1cccnc1)C2=O 96201762 JZRUKGSHKXPNNW-IYOUNJFTSA-N 329.400 1.320 0 40 EDAB CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C1=CCCCC1 585087245 YIHTVJSDKIANHA-ZDUSSCGKSA-N 343.445 1.454 0 40 EDAB O=C1N[C@]2(C[C@H]3CC[C@H]2N3C(=O)[C@@H]2CCCO2)Nc2ccccc21 247856234 JWZZKZSJYROUJW-OPNLHGRLSA-N 327.384 1.481 0 40 EDAB Cn1nccc1S(=O)(=O)Nc1ccccc1N=S(C)(C)=O 585128976 SLIVFSOPTAIBLE-UHFFFAOYSA-N 328.419 1.580 0 40 EDAB CCCCCOCC(=O)N[C@H](C(=O)OCC)[C@H](O)c1ccncc1 585128416 AOGQZCAQRWWBSH-JKSUJKDBSA-N 338.404 1.370 0 40 EDAB CC(C)(CN1CCOCC1)NC(=O)c1ccc(-n2ccnc2)nc1 257342329 ZODYPQABTGHGTN-UHFFFAOYSA-N 329.404 1.108 0 40 EDAB O=C(O)C[C@@H](O)CNC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 1601910791 NIQBWBOHWUOWSS-SSDOTTSWSA-N 346.261 1.632 0 40 EDAB Cn1nccc1C(=O)N1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 257231337 GGGGLJDNKPXFPP-HOTGVXAUSA-N 333.363 1.604 0 40 EDAB CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)CCn1ccnc1 257206918 BFLTXEKKEPFZRX-GOSISDBHSA-N 343.431 1.158 0 40 EDAB COCC(=O)N1CCCC[C@@H]1c1cc(-c2ccnn2C)nc(C)n1 257320570 VXJVKGBDIFXVEE-MRXNPFEDSA-N 329.404 1.886 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@]2(O)CCCN(c3ncccn3)C2)s1 257226394 FKMOUWKBUVIGPN-MRXNPFEDSA-N 347.444 1.311 0 40 EDAB COCC(=O)N1CC[C@H](c2c(C(=O)N(C)C)sc3nccnc23)C1 257239435 HPGOJWHKAGLJLD-JTQLQIEISA-N 348.428 1.355 0 40 EDAB COc1ccccc1[C@H]1CN(Cc2ccn(C)n2)CCN1C(C)=O 257325934 WVBXPSVHZLOJSX-QGZVFWFLSA-N 328.416 1.834 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CN(C(=O)c3cccs3)CCO2)n1 257249932 JKHYRIOHYCFCIH-ZDUSSCGKSA-N 346.412 1.388 0 40 EDAB CS(=O)(=O)[C@H]1CCN(C(=O)NCCc2cc(F)ccc2F)C1 252499100 RVMXVYKAUFBWFH-LBPRGKRZSA-N 332.372 1.336 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)c3cc[nH]n3)CCO2)ccn1 257312793 UPMRHTXVDQMBML-CQSZACIVSA-N 329.404 1.345 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257211167 BXTFJWBASADPDC-HKUYNNGSSA-N 343.427 2.000 0 40 EDAB Cc1ncccc1O[C@@H]1CC[C@@H]2CN(S(=O)(=O)c3c[nH]cn3)C[C@@H]21 257223374 DXAZIHWDOAFTOT-VNHYZAJKSA-N 348.428 1.591 0 40 EDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)CCn2ccnc2)n1 257206912 BFLLQESWPSNLEY-MRXNPFEDSA-N 342.447 1.797 0 40 EDAB COCCNC(=S)Nc1nc(OC)cc(N2CCCC[C@H]2C)n1 260735059 FGBAVFODMYFQOP-LLVKDONJSA-N 339.465 1.797 0 40 EDAB CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1c[nH]c2nccc-2c1 1604814451 WFUHLDNNWQLOLB-UHFFFAOYSA-N 333.355 1.967 0 40 EDAB CSc1ccc(S(=O)(=O)N2CC(O)(c3nccn3C)C2)cc1 1615615154 UMZQBRBPVYGGNF-UHFFFAOYSA-N 339.442 1.034 0 40 EDAB COC1(c2nccn2C)CN(S(=O)(=O)c2cccc(Cl)c2)C1 1616031900 ASQSVAVGVYFFFH-UHFFFAOYSA-N 341.820 1.620 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)O1 1616034137 GVYAAGBGRAUVJC-OAHLLOKOSA-N 338.473 1.702 0 40 EDAB O=C(Nc1cnc(O)nc1O)[C@H]1CCCN1c1nc2ccccc2o1 390825887 MLKFWWLTVFOBTE-LLVKDONJSA-N 341.327 1.637 0 40 EDAB O=C1CCc2cc(S(=O)(=O)N[C@H]3CCn4nccc4C3)ccc2N1 575607023 WPYPJFWOWONRGV-LBPRGKRZSA-N 346.412 1.061 0 40 EDAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)N1CCOCC1 575609994 DSZLUDQQWWTVJJ-UHFFFAOYSA-N 344.400 1.395 0 40 EDAB Cn1ccnc1CN1CCC[C@]2(C1)CN(Cc1cncs1)C2=O 585099281 BCHXAHFMSBBSJS-INIZCTEOSA-N 331.445 1.501 0 40 EDAB C[C@]1(C(N)=O)CCCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C1 585289339 PZIGTTDOGXQKJD-FAJBIJEISA-N 332.444 1.935 0 40 EDAB CSCC(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@@H]1C 585096459 OJFXVOPFTFPMBO-NSHDSACASA-N 348.428 1.672 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NC[C@H]3CCCO3)C2)nc1 57418557 VLQNUBULVGYGBR-HUUCEWRRSA-N 346.431 1.929 0 40 EDAB COC(=O)c1cc2ccccc2cc1NCC(=O)N1CCNC1=O 55859915 HLYYAUCLDWHKDM-UHFFFAOYSA-N 327.340 1.590 0 40 EDAB CCOc1ncccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 60242950 DNCMOQHSEOWBTL-UHFFFAOYSA-N 326.356 1.923 0 40 EDAB CC(C)(C)NC(=O)CN1C(=O)N[C@]2(CCc3cc(Cl)ccc32)C1=O 95430250 JFKOBSFLRIYSPC-KRWDZBQOSA-N 349.818 1.948 0 40 EDAB O=C1O[C@]2(COCCN(C3COC3)C2)CN1c1ccc(Cl)cc1 1615157052 ZDNYNNWSJIZADH-INIZCTEOSA-N 338.791 1.766 0 40 EDAB Oc1ccc(CN2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)cc1 1615147113 PIDISXSUCMKXOM-OALUTQOASA-N 347.386 1.908 0 40 EDAB CCCOc1cc(C)ccc1NC(=O)N1CC[C@]2(C1)NC(=O)NC2=O 1615572522 WTOUZHPLZWNWPJ-QGZVFWFLSA-N 346.387 1.600 0 40 EDAB Cn1nnc(Cn2ccc(=O)c3cccc(OC(F)(F)F)c32)n1 1616019466 GCFRMZOVUFZHKD-UHFFFAOYSA-N 325.250 1.472 0 40 EDAB CCNC(=O)NC(=O)[C@@H](Sc1nnc(N)s1)c1ccccc1 5636785 RNMOUCOJWXDKHT-VIFPVBQESA-N 337.430 1.799 0 40 EDAB CCc1c(C)nc(NC(=O)NS(=O)(=O)c2cccs2)nc1O 13407807 HCXWGYGBFBTEMB-UHFFFAOYSA-N 342.402 1.625 0 40 EDAB Cn1nnc2c(N3CCN(C(=O)Nc4cccs4)CC3)ncnc21 13534701 VGZYORMSOXNVFS-UHFFFAOYSA-N 344.404 1.174 0 40 EDAB O=C1N[C@]2(CCc3ccccc31)CN(Cc1ccccn1)C[C@H]2CO 19375516 JLXJOLDPRKOPPY-OXJNMPFZSA-N 337.423 1.621 0 40 EDAB CCn1c(=O)oc2cc(S(=O)(=O)NCCCOC(C)C)ccc21 19936835 NWLTVNFMRIXACQ-UHFFFAOYSA-N 342.417 1.708 0 40 EDAB CC(C)C[C@H](C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C)N1CCCCC1=O 205388811 LCTJCNUZOALPNV-YGZBKVGRSA-N 342.505 1.782 0 40 EDAB CCCCC(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23134379 QHEUOSAGLWELEF-UHFFFAOYSA-N 346.410 1.636 0 40 EDAB CCN(CC)C[C@H](C)NC(=O)c1c(Br)c(C)nn1C 2781028 DTXYNHVJXWPMJN-VIFPVBQESA-N 331.258 1.951 0 40 EDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cccnc5)C[C@H]4C3)nn12 1888879390 JQIBGOYPOBSVCZ-HUUCEWRRSA-N 349.398 1.036 0 40 EDAB O=C(c1ccccc1)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888906793 AETVIIYBKOZXOD-HUUCEWRRSA-N 334.383 1.333 0 40 EDAB Cc1cc(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(C)[nH]1 23508493 RQFTZDKDTPULGI-UHFFFAOYSA-N 341.289 1.794 0 40 EDAB Cc1cc(N2CCC[C@H](C(N)=O)C2)n2nc(C(F)(F)F)nc2n1 26693178 NQPCIXLKYRKQME-QMMMGPOBSA-N 328.298 1.153 0 40 EDAB Cc1cc(=O)n2c(n1)CC[C@]1(CCN(C(=O)CC3(O)CCC3)C1)CC2 1614937447 KPPOUZVYSRDVMI-SFHVURJKSA-N 345.443 1.412 0 40 EDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)CC2(O)CCC2)cn1 1614935836 WNPOPBXVZDQXCS-DLBZAZTESA-N 347.459 1.664 0 40 EDAB COCC(=O)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 1142819067 SCXAZUFVRUMCLR-INIZCTEOSA-N 339.386 1.788 0 40 EDAB Cc1snnc1C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 1565542434 ZSDNQRRBEDINQJ-UONOGXRCSA-N 329.429 1.731 0 40 EDAB Cc1cnnn1Cc1nnn2c1CN(C(=O)C1CC(C)C1)CCC2 1565555335 XLEAMHWJZYYVAR-UHFFFAOYSA-N 329.408 1.005 0 40 EDAB CC[C@H](C)n1c(C)cn2c3c(=O)n(CC(C)=O)c(=O)n(C)c3nc12 10233545 DKIOMEVYMSETSK-VIFPVBQESA-N 331.376 1.018 0 40 EDAB O=C(/C=C/c1cccs1)N1CC[C@]2(C[C@@H](n3cnnc3)CO2)C1 2055839586 VMTGEEKNSMWRGE-DNKIIHMASA-N 330.413 1.986 0 40 EDAB CN(C)c1nccc(N2CCC[C@]3(CN(C(=O)C4CC4)CCO3)C2)n1 2055830296 KSNDBICNBTVWRF-GOSISDBHSA-N 345.447 1.150 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)CCSC)cc1 1775967505 UUCKFDKSZNYRGJ-LLVKDONJSA-N 348.446 1.257 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCn1cc(-c2ccco2)cn1 575616291 YYEKDNCNZGBMPX-UHFFFAOYSA-N 349.416 1.472 0 40 EDAB O=C(c1cccc(-n2cccn2)c1)N1CC[C@@H](Oc2ncccn2)C1 575610577 LANCJFWYMQJEHB-MRXNPFEDSA-N 335.367 1.956 0 40 EDAB Cc1cc(C)n([C@H](CNC(=O)c2cn(C)nn2)c2ccsc2)n1 575612963 DWDIWFSBDRFACY-CQSZACIVSA-N 330.417 1.709 0 40 EDAB Cn1ccc2ccn(CCNS(=O)(=O)Cc3ccccc3)c(=O)c21 575615595 DZXWXWUPLQIPTK-UHFFFAOYSA-N 345.424 1.460 0 40 EDAB O=C(NC[C@]1(OCCO)CCOC1)c1ccc(Br)cc1 617717507 IZMNIAMCWYYCLR-CQSZACIVSA-N 344.205 1.347 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)Nc3c[nH]ccc3=O)CC2=O)cc1 40088202 HMLAPHVZISQRPV-NSHDSACASA-N 327.340 1.375 0 40 EDAB CCc1noc(CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 40513744 HUVKWHFSZDGAEU-UHFFFAOYSA-N 332.379 1.658 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1 40515925 GBGJPPIUFKWHSP-LBPRGKRZSA-N 338.429 1.023 0 40 EDAB C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)c(Cl)c2)CCO1 40540016 KMWNMOSCAATLCY-SECBINFHSA-N 335.784 1.500 0 40 EDAB CC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CCO1 69451861 XGBPNZOPLPQDKW-CVEARBPZSA-N 346.427 1.681 0 40 EDAB C[C@@]1(NC(=O)c2csc(-c3ccco3)n2)CCS(=O)(=O)C1 29644904 IZTCBKNICJXVME-CYBMUJFWSA-N 326.399 1.710 0 40 EDAB COc1ccc(NC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)cc1 69489539 OSNVCQBKJMCHSO-UHFFFAOYSA-N 347.415 1.351 0 40 EDAB CCC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc21 428753 UUKDSIKBQAWPLZ-ZDUSSCGKSA-N 338.429 1.443 0 40 EDAB CN1CC[C@@H](C(=O)NCc2cccc(CN3CCCC3)c2)CC1=O 46375696 WKKLZWKVYUEXPY-QGZVFWFLSA-N 329.444 1.767 0 40 EDAB COc1ccc(C2(C(=O)NCCN3CCN(C)CC3)CCCC2)cc1 60480195 LINRRKWHVSXXIR-UHFFFAOYSA-N 345.487 1.871 0 40 EDAB COc1ccc([C@@H](NC(=O)c2cnn(C)c2C)c2nccn2C)cc1 29987432 GMNXVHKGSJPDCE-MRXNPFEDSA-N 339.399 1.990 0 40 EDAB CN(C)CCCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 4984182 KRCZWYYXBBAUNZ-OWBHPGMISA-N 330.388 1.447 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccncc2)cc1 6546553 UGKKDEBGNMNUSD-CYBMUJFWSA-N 333.413 1.373 0 40 EDAB COC(=O)Cc1cc(O)nc(S[C@@H](C)C(=O)NC2CCCC2)n1 7047922 VSCCJXMXKDPRLB-VIFPVBQESA-N 339.417 1.437 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 47101288 HQVATAGJQYWHFO-GJZGRUSLSA-N 333.436 1.513 0 40 EDAB COC(=O)N(C)CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 53504142 WWZOVYHMSCTXIP-UHFFFAOYSA-N 339.436 1.372 0 40 EDAB CC(C)CC(=O)NCCNS(=O)(=O)c1cccc2nsnc12 12409260 KQUSZEHLDXMEPF-UHFFFAOYSA-N 342.446 1.132 0 40 EDAB COCCn1c(S[C@@H]2CCCCNC2=O)nnc1-c1ccncc1 22611649 STLYWEAPMGOHFE-CYBMUJFWSA-N 347.444 1.747 0 40 EDAB S=C(NCCc1c[nH]c2ccccc12)NCCN1CCOCC1 23508641 KXTMEAOQWAMSSD-UHFFFAOYSA-N 332.473 1.507 0 40 EDAB COc1ccccc1OCC(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 43055491 DQSGBSVFGHSQEI-CQSZACIVSA-N 328.368 1.956 0 40 EDAB O=C(CCn1c(S)nnc1-c1cccs1)NC[C@@H]1CCCO1 24923616 AOMITTUXMDGJHZ-JTQLQIEISA-N 338.458 1.981 0 40 EDAB CNC(=O)C1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 106019298 DLYVYNUZFCXNHW-MRXNPFEDSA-N 329.444 1.684 0 40 EDAB O=C(Nc1ccc(Cl)nn1)c1ccc(=O)n(-c2ccccc2)n1 72281624 DMFMOMVKAJXFGA-UHFFFAOYSA-N 327.731 1.928 0 40 EDAB Cc1ccccc1Cn1cnc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)n1 102015321 YNGPNBQFLNJWOZ-AJNGGQMLSA-N 338.367 1.302 0 40 EDAB O=C(Nc1cn[nH]c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 107218725 KPKKKUWQRUBLOQ-CQSZACIVSA-N 348.428 1.590 0 40 EDAB O[C@@H](COc1ccc(Cl)cc1)CN1CCN(c2ncccn2)CC1 25658956 ANWXWAZCOCWUCR-OAHLLOKOSA-N 348.834 1.692 0 40 EDAB O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc2ccccc2c1 107348257 OHWKKURLKRHPSV-DLBZAZTESA-N 346.452 1.981 0 40 EDAB Cc1ccc(CC(=O)N2CCCN(Cc3nccn3C)CC2)cn1 72279615 PWPUUZLRLSXFAQ-UHFFFAOYSA-N 327.432 1.401 0 40 EDAB C[C@@H](Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1N)C(N)=O 26123618 HXFGAQIXGGICKZ-SNVBAGLBSA-N 349.460 1.834 0 40 EDAB C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(Cl)cc1 35288707 JUYMHXOJJYPDJH-RISCZKNCSA-N 344.864 1.464 0 40 EDAB CCn1c(C)cc(C(=O)COC(=O)[C@H]2CCCN(C(N)=O)C2)c1C 12693445 ABOSQUCBJSZYJT-ZDUSSCGKSA-N 335.404 1.641 0 40 EDAB C[C@H](NC(=O)[C@H](C)N1CCCN(C(N)=O)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 108078188 MVCAHSCHRMMKTH-QXKUPLGCSA-N 336.480 1.402 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)CCn3cncn3)CC2)cc1 12615877 JOXJMLLRARNZQM-UHFFFAOYSA-N 327.388 1.220 0 40 EDAB C[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1ccc(S(C)(=O)=O)cc1 44610610 QQTGRMHWPZXAES-LLVKDONJSA-N 334.397 1.280 0 40 EDAB CC(C)c1nc([C@H]2CCCN2C(=O)Cc2nc3ncccn3n2)no1 76044432 XPZBOTRPJDVTJJ-LLVKDONJSA-N 341.375 1.537 0 40 EDAB CCC(C)(C)NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 27556715 HVPVQVBULRDCNA-LLVKDONJSA-N 339.461 1.390 0 40 EDAB CC(=O)Nc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1Cl 58156921 PNHYOLSLVVYKMG-UHFFFAOYSA-N 328.781 1.833 0 40 EDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCc2ccccc2C1 10219034 APEGASOJLNVJNY-UHFFFAOYSA-N 341.411 1.826 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)c2cc(Cl)ccc2O)C1 58283035 GDIYXPHYWVCAOG-SNVBAGLBSA-N 332.809 1.199 0 40 EDAB CC(C)(C)CC(=O)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 58208952 RJHWKMFUJHGDBY-UHFFFAOYSA-N 332.360 1.120 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1CCc1ccccc1 58224977 OEFCLSVKAWCTIN-OAHLLOKOSA-N 327.384 1.160 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCCC(=O)NCc1ccccc1 58290186 STOYLKIWXYTGHL-CYBMUJFWSA-N 343.383 1.221 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1CCN1C(=O)c2ccccc2C1=O 3347643 UCLSWAVVLGEKCW-UHFFFAOYSA-N 341.367 1.537 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)C1 44910658 RPPYPOIUSXVOKI-ZDUSSCGKSA-N 340.445 1.567 0 40 EDAB C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCOCC1 58357168 UQTIGGLKRTUDAX-NSHDSACASA-N 344.333 1.611 0 40 EDAB O=C(O)CC1(CC(=O)N2CCN(c3ncccn3)CC2)CCCCC1 3306179 YSPUKYSAADTDLV-UHFFFAOYSA-N 346.431 1.941 0 40 EDAB O=C(NC1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1)c1ccccc1 10556478 RMRJCDDDUKDKSY-UHFFFAOYSA-N 349.394 1.993 0 40 EDAB O=C(Cn1cnnn1)Nc1ncc(Cc2cc(F)cc(F)c2)s1 12769759 GHAVJVQPGPYEFQ-UHFFFAOYSA-N 336.327 1.637 0 40 EDAB CN1C(=O)c2ccc(C(=O)NCCOc3ccccc3F)cc2C1=O 12766576 APCZASGCWWUCCO-UHFFFAOYSA-N 342.326 1.860 0 40 EDAB O=C(CCc1ccsc1)N1CCN(CC(=O)N2CCCC2)CC1 36383682 FQMBKJLSNREPGK-UHFFFAOYSA-N 335.473 1.447 0 40 EDAB O=C1NCc2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc21 58747936 UPSHAGIBDRBJAX-LBPRGKRZSA-N 327.384 1.660 0 40 EDAB O=C(NCCO)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 2344846 RGJAHBIJBJJDJQ-FOWTUZBSSA-N 328.343 1.705 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C[C@H](C)O1 28700151 BJZDYUSDRGNJKO-KBPBESRZSA-N 327.384 1.541 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O)c1ccco1 69568934 LXNUKXMSYSQYOC-QLJPJBMISA-N 347.396 1.986 0 40 EDAB COC(=O)c1cccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1 3559125 VLBWOQIBBPYZRO-UHFFFAOYSA-N 337.335 1.972 0 40 EDAB CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(C(=O)NC)cc1 69597082 MDPCNSDAHVOODN-LBPRGKRZSA-N 327.450 1.055 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)Cn2c(-c3cnccn3)noc2=O)c1C 69516289 SDZGGFLBTSSUCI-UHFFFAOYSA-N 341.327 1.324 0 40 EDAB CC[C@](C)(NC(=O)c1ccc(N2CCOCC2)c(F)c1)C(=O)OC 69571261 JHGAODIHSJXKDO-KRWDZBQOSA-N 338.379 1.734 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2CCN(Cc3cnn(C)c3)CC2)c1 69628410 CYRMIEBEYBBBOH-SFHVURJKSA-N 344.459 1.286 0 40 EDAB CCn1nnc2cc(C(=O)OCc3nnnn3-c3ccccc3)ccc21 17726097 VQRCJKZUKCSXSI-UHFFFAOYSA-N 349.354 1.784 0 40 EDAB O=C(NC[C@@H]1CCCO1)N[C@@H]1CCCN(c2cccc(F)c2)C1=O 69976815 UIDUAQBHYXUTBA-LSDHHAIUSA-N 335.379 1.799 0 40 EDAB CC1(C)CC(=O)c2cc(C(=O)NCc3ccccn3)c(=O)[nH]c2C1 49547708 KHKISZPFVFAMAP-UHFFFAOYSA-N 325.368 1.855 0 40 EDAB CCNC(=O)N1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 69704626 VCFBKBJANRSCFY-UHFFFAOYSA-N 331.416 1.963 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)c2c(C)noc2C)CC1 69738444 NBETYVJDAKCWNE-UHFFFAOYSA-N 331.420 1.856 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1cccc2ncccc12 13624597 BGJYWGVMHLKZHM-UHFFFAOYSA-N 337.383 1.840 0 40 EDAB CCOc1ccc(S(=O)(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 4505415 SPKAHJGOVAKWSK-GFCCVEGCSA-N 347.458 1.283 0 40 EDAB CCc1nn(C)cc1C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O 92443443 IEFBGIAZSJBMMN-MRXNPFEDSA-N 326.400 1.860 0 40 EDAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(=O)CC1 6905446 XKZCGZSEHVOFRX-QGZVFWFLSA-N 327.384 1.407 0 40 EDAB CNS(=O)(=O)[C@H]1CCN(c2cc(C(C)C)nc(C(C)C)n2)C1 90138922 RRXHBIJUQZZDHF-LBPRGKRZSA-N 326.466 1.851 0 40 EDAB C[C@@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1ccccc1 7123543 HAXQNJYRCYHVLP-CYBMUJFWSA-N 337.379 1.957 0 40 EDAB O=C(N[C@@H](c1ccccc1)c1ccncc1)[C@@H]1CCS(=O)(=O)C1 68262111 HEOYGLRFCXKROS-CVEARBPZSA-N 330.409 1.722 0 40 EDAB Cn1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 81186744 RXEUOCJERJHKQJ-UHFFFAOYSA-N 340.836 1.584 0 40 EDAB CC(C)NC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C 8166048 SVEVUPNJMJKJDQ-HNNXBMFYSA-N 337.395 1.221 0 40 EDAB CCN([C@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)c1cnn(C)c1 70040284 SBWWPWYLJAIALJ-HNNXBMFYSA-N 348.428 1.236 0 40 EDAB O=C(OCC(=O)N1CCOCC1)[C@@H]1CCCN(Cc2ccccc2)C1 70009604 VNBOZMLWZOSTMZ-QGZVFWFLSA-N 346.427 1.301 0 40 EDAB CC(C)n1ncc2cc(C(=O)O[C@@H](C)C(=O)N3CCNC3=O)cnc21 9454111 PMDYSFRWOXRHLW-JTQLQIEISA-N 345.359 1.109 0 40 EDAB Cc1nsc(N2CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)n1 96444983 FKUMHAHCHVJQGQ-TZMCWYRMSA-N 337.493 1.663 0 40 EDAB CN(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(CC(N)=O)cc1 71882387 KUDDDHAUFXGLSO-QGZVFWFLSA-N 325.412 1.826 0 40 EDAB O=C(Nc1cc(F)ccc1-n1cccn1)N[C@@H]1CCS(=O)(=O)C1 71883780 VCUJXMIXDGCLAT-LLVKDONJSA-N 338.364 1.320 0 40 EDAB C[C@@H](C(=O)N1CCOCC1)S(=O)(=O)c1nc(-c2ccccc2)c[nH]1 71843984 KKOVWEFWNPLUAP-LBPRGKRZSA-N 349.412 1.098 0 40 EDAB CN1C[C@H](C(=O)NCc2ccc(Br)cc2F)CC1=O 71894370 MWMZSVJSIVXDTB-SECBINFHSA-N 329.169 1.683 0 40 EDAB Cc1cccc(OCCC(=O)NC[C@H](C)N2CCN(C)CC2)c1C 71867408 ADGPVDZVONRYTE-INIZCTEOSA-N 333.476 1.824 0 40 EDAB COc1cc2nc(CN(C)C[C@@H]3CCCCO3)[nH]c(=O)c2cc1OC 71821814 CDDNFDSPOJRWSP-LBPRGKRZSA-N 347.415 1.941 0 40 EDAB C[C@@H](O)CN1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 71877410 BKKCFAGDMYFFDC-AEFFLSMTSA-N 331.460 1.349 0 40 EDAB CNC(=O)c1cc(NS(=O)(=O)N2CCCCCC2)ccc1F 71900104 JYRFQZBYSQBYLV-UHFFFAOYSA-N 329.397 1.718 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H](C)N3CCCCC3=O)CCO2)n1 78889728 SFQAOWIEQXAPNJ-STQMWFEESA-N 349.435 1.058 0 40 EDAB COc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1C 84093595 LKHXTOXFCPHGBD-UHFFFAOYSA-N 341.415 1.825 0 40 EDAB O=C(Cc1ccccc1O)Nc1nc(CN2CCOCC2)cs1 95347343 NBNHGDGMWJTIJK-UHFFFAOYSA-N 333.413 1.862 0 40 EDAB CCC1CCC(NC(=O)CCn2ccccc2=O)(C(=O)OC)CC1 79049460 VPBGERXRMSIRMV-UHFFFAOYSA-N 334.416 1.867 0 40 EDAB C[C@]1(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CCCO1 79070208 CFSOFUUGPPGSBF-VQIMIIECSA-N 330.428 1.905 0 40 EDAB CN(CCN1C(=O)CCC1=O)C1CCN(c2cccc(F)c2)CC1 95963801 WTENNSHWDPZCQQ-UHFFFAOYSA-N 333.407 1.875 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1 75092440 QBTWFQCQYOYZLA-HZMBPMFUSA-N 348.369 1.845 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1nccn1C)CCC2 75143549 WMMODCHDIJWKPM-UHFFFAOYSA-N 334.445 1.623 0 40 EDAB CC(C)(C)c1n[nH]cc1CNc1ccn(CCS(C)(=O)=O)n1 89694604 GOMWTWYUASDPMX-UHFFFAOYSA-N 325.438 1.560 0 40 EDAB COc1cc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)nn1C 547807826 PWFUAMTWMLZKFV-LBPRGKRZSA-N 343.305 1.911 0 40 EDAB Cn1nc(C(=O)N[C@]2(C)CCN(CC[C@@H]3CCOC3)C2)cc1Cl 1046474878 XBFBRKPLDHKSJU-MLGOLLRUSA-N 340.855 1.694 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N[C@H]1CCCN(C2CCCCC2)C1 69110426 PDQHIJLZMYHEMJ-GJZGRUSLSA-N 334.468 1.763 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@H]2COCc1ccccn1 306127513 GAMOPLBDGCQPCJ-AWEZNQCLSA-N 340.445 1.427 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(Cl)c2)s1 36182810 FAQYLCIXACLWRG-UHFFFAOYSA-N 332.794 1.951 0 40 EDAB CN(Cc1nn(C)c(Cl)c1Cl)C(=O)c1nc2ncccn2n1 36618715 BHMTXFDSQFACSY-UHFFFAOYSA-N 340.174 1.437 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)CCO1 78883618 WWHMIMJEVNNHEC-AGIUHOORSA-N 342.317 1.522 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)COC 218208738 FBPFMGPDSCKGRH-AVGNSLFASA-N 348.262 1.694 0 40 EDAB Cc1cccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)c1 211096918 RUQABGXRQNNQKC-UHFFFAOYSA-N 348.428 1.100 0 40 EDAB C[C@@H]1c2nncn2CCN1C(=O)c1cnn(-c2ccccc2F)c1 564811073 FWBZNINQWPSKTC-LLVKDONJSA-N 326.335 1.820 0 40 EDAB COc1ccccc1OCC(=O)N1CCC(Oc2cnsn2)CC1 670508400 ZFZIDOWPVVJUMK-UHFFFAOYSA-N 349.412 1.996 0 40 EDAB Cc1cc([C@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c(C)o1 1565519849 QBTNRVKOVURLMJ-CYBMUJFWSA-N 346.339 1.413 0 40 EDAB COCC(=O)N1CCC[C@@H](c2cnc(Nc3ncccn3)cn2)C1 72362313 JYXSQYAGQRVIJD-GFCCVEGCSA-N 328.376 1.363 0 40 EDAB Cn1ccc(-c2cc(C(=O)N3CC(C)(C)O[C@@]4(CCOC4)C3)n[nH]2)c1 566019490 JQUIJBCCSGMNMK-SFHVURJKSA-N 344.415 1.825 0 40 EDAB Cn1cc(/C=C/C(=O)NCCN2C(=O)CCCC2=O)c2ccccc21 73122344 YQLAZSMMWLBFMT-MDZDMXLPSA-N 339.395 1.847 0 40 EDAB O[C@H](c1ccccn1)C1CCN(Cc2cc3n(n2)CCNC3)CC1 72133608 LWSXKSSSOILBCK-SFHVURJKSA-N 327.432 1.327 0 40 EDAB CC(C)[C@@H](C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 47363004 SSKPKTRAUOPWMH-GFCCVEGCSA-N 328.434 1.622 0 40 EDAB Cc1cccc(S(=O)(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1 49736966 KOBNJVYMQMNZIB-QGZVFWFLSA-N 339.505 1.545 0 40 EDAB Cn1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1=O 40691032 QTADUHBJENVCLM-UHFFFAOYSA-N 343.202 1.949 0 40 EDAB O=C(NC[C@]1(O)CCSC1)[C@@H]1CCCN1C(=O)c1cccs1 82966499 PYXUTNVNHFNLJR-XHDPSFHLSA-N 340.470 1.337 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N3Cc4cncnc4C3)CC2=O)cc1C 96025485 QICJWACYCTWRDI-AWEZNQCLSA-N 336.395 1.989 0 40 EDAB COc1cc(N2CC[C@]3(CCC[C@H](CN4CCOCC4)O3)C2)ncn1 96207331 ZXRLOWNTRJHCAH-CRAIPNDOSA-N 348.447 1.335 0 40 EDAB Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3cnn(C)c3)C[C@H]21 96054355 JMWXCKBNMITSIN-SJORKVTESA-N 331.420 1.110 0 40 EDAB O=C(c1cccnc1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 96072477 DOLQESMNHLQZQM-FUHWJXTLSA-N 325.368 1.929 0 40 EDAB O=C(NCC1CC1)[C@H]1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)C[C@H]1O2 96253015 BGVVNZQVSIMYIN-OWCLPIDISA-N 347.390 1.973 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccco3)C2=O)cc1 98004174 JFPKWKJTZMQMFH-NTEUORMPSA-N 341.323 1.820 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccc3c(c2)OCO3)[C@@H]2CCCO[C@H]12)C1CC1 96185904 MFXWOPSYDCIFQB-IIDMSEBBSA-N 344.411 1.673 0 40 EDAB CN(C)c1ncnc2c1CCN(C(=O)Cc1cccc(F)c1)CC2 96255402 CHDOBFUTLDJXBO-UHFFFAOYSA-N 328.391 1.852 0 40 EDAB CCn1cc(Cl)c(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)n1 1593665370 GASPXJVIHJIZIJ-AMIZOPFISA-N 328.756 1.121 0 40 EDAB CC(C)NC(=O)N1CCOC[C@@]2(C[C@@H](CNc3ccccn3)CO2)C1 96240474 QXEBQERSMXHXLR-MAUKXSAKSA-N 348.447 1.719 0 40 EDAB O=C(N[C@H]1CN(c2ncc(F)cn2)[C@@H]2CCCO[C@H]12)c1cccnc1 96065210 NWBACRCWXPHATR-RRFJBIMHSA-N 343.362 1.177 0 40 EDAB COc1ccccc1[C@@H](NC(=O)CNS(C)(=O)=O)c1ccccc1 96404865 ROKOSEKEHXWCLH-KRWDZBQOSA-N 348.424 1.450 0 40 EDAB Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cc[nH]n3)CCCC2)cc1 584907821 JBDALFPIZXIVJT-UHFFFAOYSA-N 333.413 2.443 0 40 EDAB O=C(O)[C@]12CCCN(c3ncccn3)C[C@H]1CN(Cc1ccco1)C2 96185211 MEQRVZZFYFLZNJ-KDOFPFPSSA-N 342.399 1.873 0 40 EDAB COc1ccc(NC(=O)C(=O)NCCc2c(C)noc2C)c(OC)c1 96404760 MGCSLLNQRNKDLA-UHFFFAOYSA-N 347.371 1.606 0 40 EDAB O=C(NCc1ccc(N=c2cc[nH]cc2)cc1)[C@H]1CCS(=O)(=O)C1 585128226 WMJVXFFXVVBEGO-AWEZNQCLSA-N 345.424 1.298 0 40 EDAB CC(C)(C)c1csc(CCNS(=O)(=O)CC2COCOC2)n1 585115856 WHRLKKAYQXZAMR-UHFFFAOYSA-N 348.490 1.523 0 40 EDAB CO[C@@H](CS(=O)(=O)N[C@@H](C)Cc1c(C)noc1C)C1CCC1 585115712 PRMJICFRASGTKV-BONVTDFDSA-N 330.450 1.957 0 40 EDAB CCCCCOCC(=O)N[C@@H](C(=O)OCC)[C@H](O)c1ccncc1 585128415 AOGQZCAQRWWBSH-HZPDHXFCSA-N 338.404 1.370 0 40 EDAB CC(=O)N1CCCN([C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 245266644 KKPNXILIVVSPCJ-QJESEZNXSA-N 335.492 1.870 0 40 EDAB COc1cc(CCC(=O)N2CC[C@@H]3[C@@H](CCCCN3C(C)=O)C2)on1 257311627 UKJDDOBLCFDYMX-GOEBONIOSA-N 349.431 1.865 0 40 EDAB Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN2Cc2nccn2C)n1 257266795 MEOCJRYMQNLALW-SFHVURJKSA-N 342.447 1.732 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@H](Cc2nccnc2N)C1 257325908 WUYUZIUFNVPYOC-CYBMUJFWSA-N 329.404 1.687 0 40 EDAB Cc1c(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)oc2ccccc12 257340060 ZEHIDBRLTKGXQR-LJQANCHMSA-N 344.411 1.650 0 40 EDAB C[C@]1(O)CN(C(=O)c2cncnc2)CC[C@@H]1Oc1cccc(F)c1 257221898 DQZVJLDXFUSOSV-RDJZCZTQSA-N 331.347 1.660 0 40 EDAB Cc1ncncc1C(=O)N1CCC2(CC(N(C)c3ccncn3)C2)C1 257202137 AKQIQEWCACVUCB-UHFFFAOYSA-N 338.415 1.706 0 40 EDAB Cc1cc(-c2cnc(C[C@@H]3CCCN(S(C)(=O)=O)C3)cn2)[nH]n1 257245429 IPLBELUCWRLVHA-LBPRGKRZSA-N 335.433 1.389 0 40 EDAB Cc1cc(N)cc([C@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257262285 LKVMPNZVSIJCSR-MRXNPFEDSA-N 329.404 1.467 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2Cc2c[nH]cn2)c1 257261678 LIJUAQRZJOECDA-KRWDZBQOSA-N 341.415 1.175 0 40 EDAB Cc1cncc([C@H]2CCCN2C(=O)CN(C)Cc2cccnc2)n1 257282575 OUILAYRBZNIFLQ-QGZVFWFLSA-N 325.416 1.976 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C(=O)c3cscn3)CCN2C)c1 257334578 YGNFCHUUKZBSNR-OAHLLOKOSA-N 344.440 1.632 0 40 EDAB CN(C)Cc1cnc([C@H]2CN(C(=O)c3ccccc3F)CCO2)[nH]1 257298992 ROFCCTBJRSLKMK-OAHLLOKOSA-N 332.379 1.824 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(OC)cc2)[C@]1(COC)C(N)=S 252515308 IHCOUJQVSNYTIG-GUTXKFCHSA-N 343.470 1.515 0 40 EDAB CC1=CCN(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 542121905 QZCLRJZCRWPOBJ-AWEZNQCLSA-N 331.420 1.273 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)CCC(=O)O)CCO2)ccn1 257287624 PQTRRUMOELSBPK-CQSZACIVSA-N 335.404 1.172 0 40 EDAB CCc1nocc1CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1615056500 ZLZQBZRWSSOMOX-UONOGXRCSA-N 325.409 1.697 0 40 EDAB CO[C@@]1(CNC(=O)C(=O)Nc2ccccc2Cl)CCSC1 96097732 YJRMKUZRXLPZET-CQSZACIVSA-N 328.821 1.917 0 40 EDAB O=C(NCc1nc(-c2cccnc2O)no1)c1cnc2ccccc2n1 575616928 OMIMCEIQJKQBMR-UHFFFAOYSA-N 348.322 1.710 0 40 EDAB Cc1ccoc1C(=O)N1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1 575406190 XVJPTPSDKHLBGD-AWEZNQCLSA-N 344.371 1.536 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccsc3)[C@H]2C1 575405766 TYFWDKBQZWANMJ-BGNCJLHMSA-N 334.441 1.607 0 40 EDAB Cc1ccc(OC[C@@]2(O)CCN(C(=O)Cc3ccccn3)C2)cc1 585279164 WINTUGWTOMJYCD-LJQANCHMSA-N 326.396 1.975 0 40 EDAB CO[C@]1(COc2ccc(F)cc2)CCN(C(=O)Cn2ccnc2)C1 585279213 XGJFFZDEBLXGGY-QGZVFWFLSA-N 333.363 1.719 0 40 EDAB COCC(=O)N1CCn2c(CCOc3cccnc3)cnc2[C@@H]1C 585098660 WKBPCENJRJJYGP-ZDUSSCGKSA-N 330.388 1.449 0 40 EDAB CC(=O)Nc1nc(C(=O)NCc2ccnc(-n3ccnc3)c2)cs1 54629123 BMZZLKLJGYKQPT-UHFFFAOYSA-N 342.384 1.612 0 40 EDAB CN(C(=O)CCNC(=O)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 60136574 MHLIXGSBTZHJMB-UHFFFAOYSA-N 340.445 1.605 0 40 EDAB CCN1CCC(NC(=O)CN2CCC[C@H]2Cn2nc(C)cc2C)CC1 70019228 BBEYAKVRIQMZMD-SFHVURJKSA-N 347.507 1.565 0 40 EDAB CCOC(=O)N[C@@H](C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)C(C)C 75572744 DYLXJQOYRNDTKI-QMTHXVAHSA-N 348.403 1.804 0 40 EDAB O=C1CNC(=O)N1CCCn1cc(-c2ccc3c(c2)CCC3)nn1 1616037580 DGSQNFAOVHEZIW-UHFFFAOYSA-N 325.372 1.376 0 40 EDAB C[C@@H](OC(=O)c1cnc2n(c1=O)CCS2)C(=O)c1ccccc1 11214805 IADDEDQKZBGLPW-SNVBAGLBSA-N 330.365 1.777 0 40 EDAB NCCn1nc([C@H]2CCN(C(=O)C3CCCC3)C2)c2nccnc21 19404314 KVRBAWHRDRKTNF-ZDUSSCGKSA-N 328.420 1.291 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(c2cc(C3CC3)nn2C)CC1 225570163 IXZRYIFKCDGCOH-UHFFFAOYSA-N 343.431 1.794 0 40 EDAB O=C(NC[C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O)c1ncc[nH]1 643585123 KKDQKNKJUDBQAF-KCPJHIHWSA-N 333.363 1.887 0 40 EDAB Cc1cn2nc(OCC3CCN(C(=O)[C@H]4CCOC4)CC3)ccc2n1 1888850398 IWUDVQMOKWYWEI-HNNXBMFYSA-N 344.415 1.692 0 40 EDAB COc1ccc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)ccc2=O)cn1 1888904286 BKRZDZUZCIYJFW-MRVPVSSYSA-N 342.277 1.865 0 40 EDAB Cn1ccc2c(N3CCC[C@@H](C(=O)N4CCOCC4)C3)ncnc21 1889111382 HPMXPEVIXBOFDJ-CYBMUJFWSA-N 329.404 1.044 0 40 EDAB CN(CC(=O)NC(C)(C)C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 24002832 BPVDGGOEOWWYTM-UHFFFAOYSA-N 336.823 1.923 0 40 EDAB Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCN(CC(N)=O)C2)n1 2037834954 LQCUPMFCDMUMFT-LLVKDONJSA-N 332.433 1.568 0 40 EDAB O=C1COC[C@]2(CCN(Cc3cncnc3)C2)CN1c1ccccc1 2037981011 QNGFNDIBWMKDOB-IBGZPJMESA-N 338.411 1.732 0 40 EDAB C[C@@]1(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)CC=CCC1 1565545480 HBJZJXLLDOXLIS-CRAIPNDOSA-N 340.431 1.880 0 40 EDAB CCn1cc(CN2CC[C@H]3[C@@H]2CC(=O)N3Cc2cc(C)nn2C)cn1 1565551988 VNUMPXYFYQQZQF-IRXDYDNUSA-N 342.447 1.320 0 40 EDAB CCS(=O)(=O)NC1CC2(CCN(Cc3cncc(C)n3)CC2)C1 1565541786 ZBSMDCNJCHIZOO-UHFFFAOYSA-N 338.477 1.469 0 40 EDAB CN(C(=O)c1ccccn1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 1565519672 WCBNJOVOLCZGOS-UHFFFAOYSA-N 349.398 1.358 0 40 EDAB COc1cccc(N2C[C@@H](NC(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)c1 12180147 YRLFJJGXRLIRBJ-MJBXVCDLSA-N 347.415 1.619 0 40 EDAB COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(CO)cc1O 14761006 WSRCOMOWYVKWBE-UHFFFAOYSA-N 348.307 1.322 0 40 EDAB biogenic Cc1ncoc1C(=O)N[C@@H]1CCc2onc(C(=O)NC(C)C)c2C1 2055734699 MFGXTDZTNOUQQA-SNVBAGLBSA-N 332.360 1.397 0 40 EDAB O=C(NCC(F)(F)F)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713868 UAIIDVQUTATXPY-JTQLQIEISA-N 344.337 1.360 0 40 EDAB CSCC[C@H](O)CNS(=O)(=O)c1cccc2cccnc12 1775967925 GVWXMXPDVWAANS-LBPRGKRZSA-N 326.443 1.627 0 40 EDAB Cc1c(C(=O)C(=O)NCCN2CCOCC2)c2ccccc2n1C 23182868 CGFXQEIYTXEERO-UHFFFAOYSA-N 329.400 1.118 0 40 EDAB O=C([C@@H]1CCCN(c2ccn3nccc3n2)C1)N1CCSCC1 2086854468 FQHACUPGKQVHDJ-CYBMUJFWSA-N 331.445 1.521 0 40 EDAB CC(=O)Nc1ccc(CC(=O)N2CC(Oc3nccs3)C2)cc1 208031805 UEDQRWWQZDRLBB-UHFFFAOYSA-N 331.397 1.934 0 40 EDAB CN(C)c1ncc2c(n1)CC[C@@H](NS(=O)(=O)c1cccs1)C2 618256323 GLUSOZUUYXMMOM-LLVKDONJSA-N 338.458 1.440 0 40 EDAB CC(=O)N1CCC(N2C[C@H]3C[C@H](O)[C@@H](n4ccnc4C)C[C@H]3C2)CC1 2332242777 PLSIMGUVFLMLCJ-NBMJBFSESA-N 346.475 1.446 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(CC(C)C)no1 30708390 CRUJNIRGGKSQEE-HNNXBMFYSA-N 328.416 1.941 0 40 EDAB CCc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccc(C)cc1 40498444 WSRYHSAEKULQSN-CYBMUJFWSA-N 347.440 1.660 0 40 EDAB COC(=O)c1cccc(OCc2ccc(S(=O)(=O)N(C)C)o2)c1 40538698 BZVMHPIAFZYBBW-UHFFFAOYSA-N 339.369 1.896 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Oc2ccccc2)nc1 40549824 ZEMGHTTYISXWAJ-CYBMUJFWSA-N 332.381 1.791 0 40 EDAB CC[C@@](C)(CNC(=O)c1c(C)nsc1NC)N1CCOCC1 31925144 CAGGELNMTJBFLP-HNNXBMFYSA-N 326.466 1.724 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@H]1COc2ccccc2O1 224204 YHFKTRMABZBRBT-GFCCVEGCSA-N 340.335 1.551 0 40 EDAB C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)[C@H]1CCCO1 32247521 CUSMTBJOMXFKJW-TVQRCGJNSA-N 330.388 1.436 0 40 EDAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCCCC1 314858 QKFDASACICBUTH-SOFGYWHQSA-N 325.386 1.968 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2CCc1ccccc1 119561 VUCSVBSJKTWDPH-UHFFFAOYSA-N 339.399 1.266 0 40 EDAB O=C(NS(=O)(=O)C[C@@H]1CCCCO1)c1cc2c(s1)CCC2 102141275 MTBKFFJZUUJROS-NSHDSACASA-N 329.443 1.866 0 40 EDAB COc1ccc(NC(=O)CCN2CCC[C@@H](N3CCNC3=O)C2)cc1 69775522 FIPJFZLTORVAJR-OAHLLOKOSA-N 346.431 1.513 0 40 EDAB Cc1[nH]c2ccccc2c1CC(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O 69737885 LVZQIFYXGWZUIJ-OAHLLOKOSA-N 325.368 1.425 0 40 EDAB CN1CCC(CNC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1 69740317 VVRVFBXFOJPFDX-CYBMUJFWSA-N 343.493 1.754 0 40 EDAB CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccsc1 7926954 LMTIJYNLHIEJDW-UHFFFAOYSA-N 339.442 1.466 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N)nc(N)c32)cc1Cl 10339067 LUZJQLVNYYDAPC-MRVPVSSYSA-N 346.778 1.667 0 40 EDAB O=C(CC[C@H]1NC(=O)NC1=O)NCCOc1ccc2ccccc2c1 52975803 NZCDBQAQVNBSNX-OAHLLOKOSA-N 341.367 1.323 0 40 EDAB CN(CCc1ccccc1)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 103063624 MNLAJKYHGDPDTI-LAQRGFTBSA-N 338.407 1.495 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)C2CCN(C(=O)c3ccoc3)CC2)C1 46861540 FTWAHSVAGXHBES-OAHLLOKOSA-N 347.459 1.980 0 40 EDAB CC1CCC2(CC1)NN=c1s/c(=C/c3ccc(O)cc3)c(=O)n1N2 8655877 FLBIKYAMFOVZFI-GXDHUFHOSA-N 344.440 1.032 0 40 EDAB COc1cccc(-n2c(C)nc3ccc(OCC(N)=O)cc3c2=O)c1 12297078 QGYGUJMGPLBXRC-UHFFFAOYSA-N 339.351 1.567 0 40 EDAB biogenic C[C@@H](c1nc(C2CC2)no1)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 76060198 ZQJYXXAJKQPKND-ONGXEEELSA-N 330.392 1.710 0 40 EDAB CCCn1nc(C(=O)OCC(=O)NC2CCC(C)CC2)ccc1=O 22722677 WACPAGYIZQGBFB-UHFFFAOYSA-N 335.404 1.505 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1cc(-c2ccc(F)cc2)[nH]n1 47693562 DRHLTWZQXSWGPM-UHFFFAOYSA-N 348.359 1.641 0 40 EDAB O=C(NCc1ccsc1)C1CCN(c2ccc3nncn3n2)CC1 42930142 BNSRCPOJWBOXMO-UHFFFAOYSA-N 342.428 1.719 0 40 EDAB CC(C)c1noc(CCC(=O)NC[C@@H](C)N2C[C@@H](C)O[C@H](C)C2)n1 106059309 VWJJSPLBHRVAHU-MGPQQGTHSA-N 338.452 1.740 0 40 EDAB CCOc1c(Br)cc(CNCCNCCO)cc1OC 22076019 SPOXGQDYPLNDEE-UHFFFAOYSA-N 347.253 1.528 0 40 EDAB C[C@@H](NC(=O)NCCn1ccnc1)c1ccc2c(c1)CCC(=O)N2 43310976 OJMDDZRTZPMXHQ-GFCCVEGCSA-N 327.388 1.828 0 40 EDAB Cc1csc(N2CCN(CC(=O)NCc3ccccn3)C[C@H]2C)n1 106840823 IBHTZXFRKAOSNT-CQSZACIVSA-N 345.472 1.673 0 40 EDAB COc1ccc(NC(C)=O)cc1NC(=O)c1cnn2cccnc12 43508572 HUCXSFDPIUVBOZ-UHFFFAOYSA-N 325.328 1.949 0 40 EDAB O=S1(=O)CCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 97083722 YKVZKXPXFPPWOG-UHFFFAOYSA-N 344.799 1.290 0 40 EDAB Cc1ccc(-n2nc(C(=O)NCCS(C)(=O)=O)c3c2CCC3)cc1 56880462 CHEFVONBTJZXAR-UHFFFAOYSA-N 347.440 1.444 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCN(Cc2ccncc2)CC1 57291058 GJJQDSHIPNJODV-UHFFFAOYSA-N 339.395 1.811 0 40 EDAB C[C@H](CO)NC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 44355636 BPBMLWJOTNHJHW-LLVKDONJSA-N 326.418 1.905 0 40 EDAB CC(=O)N1CCC(NC[C@@H](c2cccs2)N2CCOCC2)CC1 72276788 WZURTTBLISILIC-INIZCTEOSA-N 337.489 1.722 0 40 EDAB CN(CCNC(=O)NCC(C)(C)N1CCOCC1)C1CCCC1 72274021 QTEUDVJSSRMUDX-UHFFFAOYSA-N 326.485 1.271 0 40 EDAB COCCN1C(C)=C/C(=C2/C(=O)NC(=O)N=C2O)C=C1C(F)(F)F 57478221 ZPYFTEJUVVOEMI-UHFFFAOYSA-N 345.277 1.801 0 40 EDAB Cc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c1C 62720384 RMNCUGOFOVERGN-JTQLQIEISA-N 339.399 1.828 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 24689141 YDIQHONZQDITEA-ZIAGYGMSSA-N 340.445 1.384 0 40 EDAB CCn1c2ccccc2c2nnc(SCC(=O)NC(=O)NC)nc21 3383955 DYFGIVLWGPTBHH-UHFFFAOYSA-N 344.400 1.547 0 40 EDAB CC(C)[C@@H](CNC(=O)NCc1cccnc1N(C)C)N1CCOCC1 44953619 HBOULGPFIKNJMR-MRXNPFEDSA-N 349.479 1.304 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)NCCc2cccnc2)cc1 44907637 CTCKMOUJVAHEMJ-UHFFFAOYSA-N 334.397 1.779 0 40 EDAB C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1cc(F)ccc1F 44919654 WVIKERKNIQQMEY-SECBINFHSA-N 347.387 1.058 0 40 EDAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1ccccc1 3321427 DITMBACGYCPBAJ-UHFFFAOYSA-N 329.400 1.948 0 40 EDAB Cc1cc(NC(=O)COC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)no1 10947644 TVWJIVXXWQEQQL-MEBBXXQBSA-N 332.312 1.693 0 40 EDAB C[C@H](C(=O)Nc1ccccc1F)N1CCN(C[C@@H]2CCCO2)CC1 22777098 HAKZMUVOZKDARQ-CABCVRRESA-N 335.423 1.949 0 40 EDAB Cc1cc(NC(=O)CSc2nnc(-c3ccoc3C)n2N)no1 3447310 FDXMORXMBZNYOD-UHFFFAOYSA-N 334.361 1.588 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CN(C2CC2)CCO1 69898675 STHAEXIDBCHELH-GDBMZVCRSA-N 349.431 1.013 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1cnc3onc(C)c3c1)C2 69969995 GDZUNVSSWSJRFA-UHFFFAOYSA-N 338.371 1.952 0 40 EDAB C[C@@H](NCCOc1ccc(S(N)(=O)=O)cc1)[C@@H](C)n1cccn1 69973973 WGZVTIDTYDKFCN-CHWSQXEVSA-N 338.433 1.149 0 40 EDAB C[C@H]1C(=O)NCCN1CCC(=O)Nc1cccc(Br)c1 72290410 HHKSBUPVAGKHCY-JTQLQIEISA-N 340.221 1.598 0 40 EDAB COc1cccc(CNC(=O)Cc2nn(C)c(=O)c3ccccc23)c1 8748100 SKTQARJPIYIGQD-UHFFFAOYSA-N 337.379 1.801 0 40 EDAB CCOc1ccccc1N(CC(=O)N[C@H](C)COC)S(C)(=O)=O 13858156 UYHPXAKIQXBIDV-GFCCVEGCSA-N 344.433 1.002 0 40 EDAB CCc1ccc(OC[C@@H](O)CN(C)c2ncnc3c2cnn3C)cc1 65414333 MLIDCLOWGICZPA-AWEZNQCLSA-N 341.415 1.802 0 40 EDAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cnccn1 6486383 JNJHFHAWYKMZOK-UHFFFAOYSA-N 340.339 1.397 0 40 EDAB CS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2CCC2)c(F)c1 65626704 TUEKAXNUKRDGJC-UHFFFAOYSA-N 336.410 1.276 0 40 EDAB CC[C@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2)C1=O 14201329 HSXLSTAMSOYZRY-ABAIWWIYSA-N 326.780 1.800 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)NCCc3ccsc3)CCO2)c1 71186400 CHMXZXQLAQUWJI-INIZCTEOSA-N 348.472 1.313 0 40 EDAB Cc1c(C)c2ccc(OCC(=O)NCCN(C)C)c(C)c2oc1=O 6756723 CZOXTCJYTRPSEO-UHFFFAOYSA-N 332.400 1.775 0 40 EDAB O=C(NCCO)/C(=C\c1ccc(O)cc1)NC(=O)c1ccccc1 4893768 OGBFVJUCYCSDCG-FOWTUZBSSA-N 326.352 1.272 0 40 EDAB COc1ccc(C(=O)NCCNC(=O)c2ccc(C)nc2)cc1OC 4985527 VAUICNNGMJUGNM-UHFFFAOYSA-N 343.383 1.567 0 40 EDAB CS(=O)(=O)N1CCC(Nc2ncc(Br)cn2)CC1 67120339 SIWDDBLVPIKPCG-UHFFFAOYSA-N 335.227 1.075 0 40 EDAB CCSCCC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 67728098 RNDSQEWJGCCTJQ-UHFFFAOYSA-N 338.477 1.532 0 40 EDAB O=C(C1=CCCC1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1 306127881 GJTUMBIKWLZRKX-AWEZNQCLSA-N 338.415 1.854 0 40 EDAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)Cn3cnnn3)n2c1 8012601 KKAMFXZWDNFWCL-UHFFFAOYSA-N 333.355 1.935 0 40 EDAB Cc1cc(F)ccc1-n1cc(O)c(C(=O)N(C)CCn2cccn2)n1 81756136 JWRGGMNBLVDVEU-UHFFFAOYSA-N 343.362 1.994 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)n1 69349917 XSJDWWBNZYYENN-KRWDZBQOSA-N 328.416 1.500 0 40 EDAB O=C(CCSCCC(=O)Nc1nncs1)Nc1nncs1 17071890 KCQXIFUYQQGTCU-UHFFFAOYSA-N 344.447 1.480 0 40 EDAB CC1CCC(NS(=O)(=O)CC(=O)N[C@H](C)[C@@H]2CCCO2)CC1 69439463 BPXKBHDHSNHYHI-HHTDUIENSA-N 332.466 1.168 0 40 EDAB COc1ccc(NC(=O)C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cc1 69562382 UWXOGEWBTOHZPM-AWEZNQCLSA-N 347.415 1.397 0 40 EDAB CS(=O)(=O)Nc1ccccc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 69514595 FHBCIXJUURMQOO-GJZGRUSLSA-N 338.429 1.842 0 40 EDAB Cc1c(CC(=O)N2CC[C@H](C(N)=O)C2)nnn1-c1cccc(Cl)c1 71824133 HRPQPUSOLZMKLP-NSHDSACASA-N 347.806 1.105 0 40 EDAB CCCn1nnnc1CN(CC)[C@@H]1CCN(c2ccccc2)C1=O 71893041 PXGBBXNDYMDHBH-OAHLLOKOSA-N 328.420 1.711 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCC[C@@H](n3ccnc3C)C2)cn1 71870639 FIILDEMGTDTOQD-CQSZACIVSA-N 327.388 1.423 0 40 EDAB CC(C)c1noc(CN(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 71892904 UNJJQCAIEWMVCM-CHWSQXEVSA-N 343.449 1.361 0 40 EDAB O=C(Nc1cc(F)ccc1-n1cccn1)N[C@H]1CCS(=O)(=O)C1 71883781 VCUJXMIXDGCLAT-NSHDSACASA-N 338.364 1.320 0 40 EDAB CCc1n[nH]c(=O)c(C(=O)N2CCN(C)c3ccccc3C2)c1CC 83817607 SIZBVOFBMDFVCU-UHFFFAOYSA-N 340.427 1.987 0 40 EDAB CC(C)(C)[S@](=O)CCNC(=O)NC[C@@H](O)c1ccccc1F 71909932 XVQZYQZBIIKJMM-DMZKTXOQSA-N 330.425 1.706 0 40 EDAB Cc1nnc2n1CCN([C@H](C)C(=O)N1CCc3ccccc3C1)C2 72267502 IZRRGVYLGBBBFU-CYBMUJFWSA-N 325.416 1.376 0 40 EDAB COCCN1CCN(Cc2nc(-c3ccccc3OC)no2)C[C@@H]1C 72279851 NGZGNBUTGRYETN-AWEZNQCLSA-N 346.431 1.898 0 40 EDAB Cc1cccc(CC(=O)N2CCc3ccc(S(N)(=O)=O)cc32)c1 72290185 UGWQDZHPQMNBHY-UHFFFAOYSA-N 330.409 1.774 0 40 EDAB Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)N=c1[nH]cc[nH]1 72403411 UNBMMTIYKWJZCV-UHFFFAOYSA-N 338.367 1.519 0 40 EDAB Cc1cccc(C)c1OC[C@@H](C)NC(=O)CN1CCC(=O)NC1=O 95394697 PHAPTDMAQJBQFO-CYBMUJFWSA-N 333.388 1.129 0 40 EDAB CCS(=O)(=O)NCCSc1nnc(-c2ccccc2)n1C 84811608 XMBWLQSWUSCMRM-UHFFFAOYSA-N 326.447 1.514 0 40 EDAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1nc2ncccn2n1 78877061 DSWABSDZUZMMOJ-UHFFFAOYSA-N 337.318 1.630 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CSC(=O)N1 73945710 LOESERAYIVARMV-DZGCQCFKSA-N 348.472 1.138 0 40 EDAB NC(=O)OCCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 95992844 NJXDHUAEEJELPC-UHFFFAOYSA-N 332.360 1.270 0 40 EDAB CC(C)C[C@@H](C)S(=O)(=O)NCc1ccnc(N2CCOCC2)c1 74366971 ZAGJDHPXDDSICJ-CQSZACIVSA-N 341.477 1.772 0 40 EDAB CN(C)c1cccc(CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)n1 89326735 MHROHHZTRMRPLO-CQSZACIVSA-N 340.431 1.470 0 40 EDAB Cc1cc(O)cc(=O)n1CC(=O)OCc1nnc(-c2ccccc2)o1 75108507 HDSLLRUSZCTEEM-UHFFFAOYSA-N 341.323 1.656 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@H](CO)OC[C@@H]2C)c2cccnc12 89626923 KIAKAJUSEHBKER-QWHCGFSZSA-N 336.413 1.314 0 40 EDAB O=C(CN1CCN(Cc2cccc(O)c2)CC1)Nc1ccncc1 89780637 JXTZABVMYTWZGB-UHFFFAOYSA-N 326.400 1.544 0 40 EDAB COc1cc([C@H](C)NC(=O)[C@H]2CNC(=O)N2)ccc1OC1CCCC1 89904736 ZGBUPMIAYQZSMZ-SMDDNHRTSA-N 347.415 1.875 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NCCN1CCc2ccccc2C1 89904398 IQYKHRNMLQGZJA-OAHLLOKOSA-N 327.432 1.629 0 40 EDAB O=C(c1cccnn1)N1C[C@@H]2[C@@H]3CC[C@@H](CN3c3ncccn3)[C@H]2C1 1048488704 MEANSAYODYQOJE-FQLMCAECSA-N 336.399 1.254 0 40 EDAB CCn1cc(C(=O)N2CCC[C@H](c3ccnc4ncnn34)C2)cn1 72334863 SOJBLHRCOJVEMF-LBPRGKRZSA-N 325.376 1.361 0 40 EDAB O=C(CCNCc1ccc(F)cc1)N1CCN(c2ncccn2)CC1 78979896 YLWBKNWVFYDEBA-UHFFFAOYSA-N 343.406 1.444 0 40 EDAB Cc1ncc2n1CC[C@H](C(=O)N1CCC(C)(N3CCOCC3)CC1)C2 529908004 CYNHMAYWQXOVDW-INIZCTEOSA-N 346.475 1.467 0 40 EDAB CNC(=O)c1cn[nH]c1[C@@H]1CCCN1S(=O)(=O)c1ccccc1 72388691 XUWAKSNMFXMEQL-ZDUSSCGKSA-N 334.401 1.295 0 40 EDAB COCCN(CC(F)F)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C 78441156 SZJPBTAPOVROJC-NEPJUHHUSA-N 335.395 1.699 0 40 EDAB CCNc1ccc(S(=O)(=O)NCCCOCC)cc1C(=O)O 217709781 SOZBFMZPDCENOP-UHFFFAOYSA-N 330.406 1.522 0 40 EDAB COC(=O)NCCC(=O)Oc1cccc(I)c1 78658152 OJUUBDOQDBFFMO-UHFFFAOYSA-N 349.124 1.943 0 40 EDAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O 218442737 DYGAXBMARXIJLH-IPYPFGDCSA-N 327.471 1.814 0 40 EDAB C[S@](=O)CCNC(=O)N1CCN(c2cc(F)ccc2F)CC1 78328932 SCPFQBVSDHWUDN-JOCHJYFZSA-N 331.388 1.175 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)CN2CCCCC2)n1 72379640 DFSMXPIEYXWOLW-QGZVFWFLSA-N 345.447 1.262 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C(C)=O)c2)C1 78602816 RVHPUSYOLJJLPB-MRXNPFEDSA-N 347.415 1.055 0 40 EDAB CN1CCC[C@H](c2cnc(CCC(=O)NC3CCOCC3)cn2)C1 72366865 SRBXUBMIGJAWFM-AWEZNQCLSA-N 332.448 1.514 0 40 EDAB COc1ccc2nnc(C(=O)NCCCn3nc(C)cc3C)nc2c1 46088259 BWJWBZWJRDGNBZ-UHFFFAOYSA-N 340.387 1.667 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 42012619 XNMHIJPZHVXFIV-LLVKDONJSA-N 330.837 1.829 0 40 EDAB CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C 328789697 KXNXWIGGHZWIIN-AWEZNQCLSA-N 347.394 1.670 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(F)c1 226686973 XAJZTKBAAINPAC-UHFFFAOYSA-N 332.397 1.227 0 40 EDAB O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)C1CCN(C(=O)N2CCCC2)CC1 570970730 QLYSEBJFNHSSKF-RBSFLKMASA-N 349.431 1.378 0 40 EDAB COCCOCCCNS(=O)(=O)c1ccc(F)c(Cl)c1 48285707 MJAXEKWNLQUFGL-UHFFFAOYSA-N 325.789 1.811 0 40 EDAB CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(C)=O 223591991 GUVLWNSCOOPUKB-UHFFFAOYSA-N 343.474 1.303 0 40 EDAB Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1csnc1C(=O)O 575865193 RMIXQECNIDATFS-ZCFIWIBFSA-N 345.402 1.528 0 40 EDAB CCc1cnc(CN(C)C(=O)NC[C@@H](C)N2CCOC[C@@H]2C)s1 83231773 KBTJDQOYCGWOGD-OLZOCXBDSA-N 340.493 1.956 0 40 EDAB CCn1nc(C)c2nnn(CC(=O)Nc3ccc(F)cc3)c(=O)c21 96182367 PTIUCDMWCLGVDD-UHFFFAOYSA-N 330.323 1.094 0 40 EDAB COC(=O)Cn1ncc2c(=O)n(Cc3c(C)cccc3C)cnc21 96413687 JXPPMWROQGWQOQ-UHFFFAOYSA-N 326.356 1.431 0 40 EDAB OCCn1ncc2c(N3CCO[C@H](c4ccccc4)C3)ncnc21 97199913 RULWAVWLSREQBX-HNNXBMFYSA-N 325.372 1.397 0 40 EDAB CC(C)N1CC2(CCN(S(C)(=O)=O)CC2)C[C@@H]1COCC1CC1 96207074 MEMVXHOJDORIHH-MRXNPFEDSA-N 344.521 1.938 0 40 EDAB COC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2nnn(CC3CC3)c21 96045580 CMZCOMDMWUEKBU-AWEZNQCLSA-N 341.415 1.398 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2c[nH]nc2-c2cccs2)C1 97235520 SLNFTTLOEDIZIV-GFCCVEGCSA-N 340.474 1.652 0 40 EDAB Cc1cc(C)c(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c(=O)[nH]1 96444721 LFKNTGDMTJKHHO-UHFFFAOYSA-N 349.328 1.650 0 40 EDAB CN(Cc1cccnc1)[C@@H]1CCN(C(=O)c2ccoc2)[C@H](C(=O)O)C1 96069113 VUHUCPWKFZWCSJ-CVEARBPZSA-N 343.383 1.864 0 40 EDAB CCn1ccc(NC(=O)c2ccc(OCc3nnnn3C)cc2)n1 96101284 UUXBIVBZDRGKNZ-UHFFFAOYSA-N 327.348 1.258 0 40 EDAB COCCS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 96415060 FWKASBYBXLASJL-DOTOQJQBSA-N 340.489 1.948 0 40 EDAB C[C@H]1c2ncc(CNC(=O)C3CC3)n2CCN1Cc1ccccn1 96201305 XFFDURVGSIPIOV-ZDUSSCGKSA-N 325.416 1.881 0 40 EDAB Cc1cccc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCO3)C2)n1 97953379 OUKDCAPMCHXMBF-SJLPKXTDSA-N 331.416 1.535 0 40 EDAB COCCNC(=O)C[C@]12COC[C@H]1CN(Cc1cccc(F)c1)C2 96207082 DVJNUMCTJSFLEC-QAPCUYQASA-N 336.407 1.427 0 40 EDAB Cn1cc(N2CC[C@]3(CCN(C(=O)c4cccnc4)C3)C2=O)cn1 96159562 GETFTACOIYQULU-KRWDZBQOSA-N 325.372 1.084 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 96107861 MHOCLLAJDHVHNQ-ABAIWWIYSA-N 342.392 1.325 0 40 EDAB NC(=O)c1csc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)c1 96404148 YAQOFUJLNNRBSN-RYUDHWBXSA-N 340.470 1.974 0 40 EDAB C[C@]1(NC(=O)CNC(=O)c2ccc(Br)s2)CCOC1 96486101 SFIUTLYUXDPIOP-LBPRGKRZSA-N 347.234 1.536 0 40 EDAB Cn1cc(CN2C[C@H]3CCC[C@@]3(COCC(=O)N3CCCC3)C2)cn1 96109214 AZERLROWXRGAAC-MJGOQNOKSA-N 346.475 1.661 0 40 EDAB Cc1nc(C)c(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)nc1C 583618205 ODVXKWROTVPMGD-KRWDZBQOSA-N 344.419 1.308 0 40 EDAB CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 96415180 QHWHDWJVEPDMFH-IAGOWNOFSA-N 346.475 1.990 0 40 EDAB O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCS(=O)(=O)C1 96407381 NUEFKEGZDJXSIW-TZMCWYRMSA-N 340.420 1.345 0 40 EDAB O=C(N[C@@H](CO)c1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 230214144 BTEJUQAPUHHZFT-HOCLYGCPSA-N 328.368 1.478 0 40 EDAB Cn1cc(CN2CCOC[C@]3(CCN(Cc4ccco4)C3)C2)cn1 96202121 DOUOAPKCWLHFMH-SFHVURJKSA-N 330.432 1.738 0 40 EDAB COCCn1cc2c(n1)[C@@H](CNCc1ccc(OC)cc1)OCC2 96059703 OQLBYQHHRXIROR-QGZVFWFLSA-N 331.416 1.942 0 40 EDAB CCO[C@@H]1CCOC2(C1)CN(S(=O)(=O)c1ccccc1C)C2 248044548 WNNABDPZDOBRGM-CQSZACIVSA-N 325.430 1.954 0 40 EDAB COCCN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)CC1 245343867 WESBXAPKFOYSAT-DLBZAZTESA-N 332.444 1.979 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCN1C(C)C 257257224 KOQFYQPZRSQJDP-INIZCTEOSA-N 346.406 1.588 0 40 EDAB Cc1csc(C(=O)N(C)C[C@@]2(O)CCN(c3cc(C)ncn3)C2)c1 257280088 OJJSUMYZLNVJAK-KRWDZBQOSA-N 346.456 1.868 0 40 EDAB Cc1cn[nH]c1C[C@H]1CCCN(C2CCN(S(C)(=O)=O)CC2)C1 257217737 DAJQDWKPDZRRJL-CQSZACIVSA-N 340.493 1.397 0 40 EDAB O=C(CCCn1cccn1)N1CCOC[C@@H]1CCc1cnccn1 257315431 VBIQGAUDYBGGOU-INIZCTEOSA-N 329.404 1.314 0 40 EDAB COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)[C@@H](C)C1CC1 585088192 OHIQALIBQYCTFZ-NHCYSSNCSA-N 328.434 1.002 0 40 EDAB CCc1cc(C(=O)N2CCOC[C@H](Cc3cc(O)ncn3)C2)on1 257336302 YNVNDSQDKTXHDY-LLVKDONJSA-N 332.360 1.064 0 40 EDAB O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(Cl)no1 585122159 OTNASXVDJUQSPI-LLVKDONJSA-N 349.774 1.738 0 40 EDAB CC[C@H]1COCCN1C(=O)Nc1ccc(F)c(S(N)(=O)=O)c1 585135552 QCEMZDMGBAIWIP-JTQLQIEISA-N 331.369 1.116 0 40 EDAB Cc1cnc(NCC[C@@H]2CCOC23CN(C2CCOCC2)C3)nc1 253600298 JLOAIPALPYLUKN-OAHLLOKOSA-N 332.448 1.857 0 40 EDAB CN1C(=O)CCC[C@@H]2[C@H]1CCCN2S(=O)(=O)c1cccc(F)c1 257219596 DHIQNPHBMJVQIN-HUUCEWRRSA-N 340.420 1.990 0 40 EDAB CN(C)c1cc([C@@H]2CCCN(C(=O)c3cnc(O)nc3O)C2)ccn1 257343189 ZRVMMSZYUQUGAQ-GFCCVEGCSA-N 343.387 1.369 0 40 EDAB CC(=O)N1C[C@@H]2CN(C(=O)Cc3ccccc3)CCN2C(C)(C)C1 253399436 JGYNABPUKVAPAX-KRWDZBQOSA-N 329.444 1.383 0 40 EDAB biogenic,in-vitro COc1ncccc1C(=O)NCc1cnc(C)nc1[C@H]1CCCN1C 257312615 UOUIXOPXTNKLGQ-OAHLLOKOSA-N 341.415 1.885 0 40 EDAB CN(C)Cc1cn(-c2ccccc2C(=O)NC[C@H]2CCCO2)cn1 257225842 FICSBVVKNJWERA-OAHLLOKOSA-N 328.416 1.843 0 40 EDAB CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ncccn3)C2)C1 261507233 GRZWGTRUTYVEFM-CYBMUJFWSA-N 347.419 1.038 0 40 EDAB O=C(O)c1cc(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)oc1Cl 1602290937 IQDHYXZOPIDASH-DTWKUNHWSA-N 335.765 1.573 0 40 EDAB COc1ccc(CCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1OC 61650519 KTQQEBUQGMBOBT-JKSUJKDBSA-N 348.443 1.616 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCC(Oc2cnccn2)CC1 90678178 RXRNAQMOWQSGJH-UHFFFAOYSA-N 349.412 1.717 0 40 EDAB CO[C@H]1CCCN(c2ccc(NC(=O)Cn3ncccc3=O)cc2)C1 96122491 GBTSJITTYWOZGU-INIZCTEOSA-N 342.399 1.497 0 40 EDAB CCc1noc(CC)c1CNS(=O)(=O)c1cncc(C(=O)O)c1 579004175 VIXMDWLQRWOQOD-UHFFFAOYSA-N 339.373 1.371 0 40 EDAB Cc1ccoc1C(=O)N1Cc2ncn(C)c2C[C@H]1CN1CCOCC1 585094865 QVRYMMHVKKXIKM-AWEZNQCLSA-N 344.415 1.221 0 40 EDAB O=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2cnsn2)CC1 585149076 ZSKYYENQYBXGGP-UHFFFAOYSA-N 343.334 1.914 0 40 EDAB O=C(NC1CC1)[C@H]1C[C@@H]2CCN(C(=O)c3ccnc(F)c3)C[C@@H]2O1 585108690 ZYYAXVCYUFEQMF-GDLCADMTSA-N 333.363 1.119 0 40 EDAB CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 585290094 RVVQBTFXWOBOGC-QJGZVHSTSA-N 329.404 1.243 0 40 EDAB OC1(CN2CCOC[C@@](O)(COc3ccccc3)C2)CCCCC1 585275723 ABPAADRCBMXRNJ-LJQANCHMSA-N 335.444 1.824 0 40 EDAB C[C@H]1CN([C@@H](C)CNC(=O)NCc2cccc3c2OCO3)C[C@@H](C)O1 50100133 BNRRBHIMPYRLNO-MELADBBJSA-N 349.431 1.712 0 40 EDAB Cc1cccc(O[C@H](C)C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1C 58281795 FQDKLHMSSZRMHC-CYBMUJFWSA-N 345.399 1.271 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCSCC2)c(Cl)c1 58290702 WKRZFIYNQAFXNS-UHFFFAOYSA-N 335.834 1.864 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[C@H]1CCCCO1 69583510 AFRHOMQSTQMUCW-LLVKDONJSA-N 340.401 1.414 0 40 EDAB CCOc1ccc(CCC(=O)NC[C@H](C)N2CCN(C)CC2)cc1 69665826 PXIAUBBSBHXIHT-INIZCTEOSA-N 333.476 1.770 0 40 EDAB CC(C)CNC(=O)c1ccccc1NS(=O)(=O)C[C@@H]1CCCO1 69739263 SVRRVVCGNQLISE-ZDUSSCGKSA-N 340.445 1.993 0 40 EDAB O=C(C[C@H]1C=CS(=O)(=O)C1)Nc1ccc2c(c1)OC(F)(F)O2 70813006 PGIHMKFFKBZADZ-MRVPVSSYSA-N 331.296 1.895 0 40 EDAB NC(=O)C1[C@@H](c2ccc(O)cc2)C(C(=O)O)[C@@H]1c1ccc(O)cc1 1772591410 VWJPPBYVFVIWFP-WXLSXGNJSA-N 327.336 1.781 0 40 EDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)c1ccnn1C)CC3 12253204 ZEZUOMDKZZHHSA-UHFFFAOYSA-N 343.412 1.198 0 40 EDAB CCN1CCC[C@@H]1Cn1c(O)nc2cc(C(=O)OC)ccc2c1=O 12741114 COFVFHULQFDBAG-GFCCVEGCSA-N 331.372 1.373 0 40 EDAB C[C@@H]1CN(C(C)(C)CNc2nnnn2-c2ccccc2)C[C@@H](C)O1 15496981 QOOLCVZSDOAVDE-ZIAGYGMSSA-N 330.436 1.962 0 40 EDAB c1ccc(CCn2nnnc2CN2CCN(C3CCCC3)CC2)cc1 19369298 MZIAWNNRTILARG-UHFFFAOYSA-N 340.475 1.976 0 40 EDAB C[C@@H](Cc1ccccn1)NC(=O)C1CCN(C2CCN(C)CC2)CC1 19457018 GITIQSKMMSYTGM-INIZCTEOSA-N 344.503 1.935 0 40 EDAB Cc1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1Cl 19831299 MQPDIBVLAOXMIY-UHFFFAOYSA-N 325.796 1.035 0 40 EDAB CO[C@@H]1COC[C@@H](CNCc2cc3c(cc2Cl)OCO3)[C@@H]1O 643585528 RMDLLMXCBYUOOF-KMUNFCNLSA-N 329.780 1.181 0 40 EDAB COc1ccccc1C1(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 556482091 LGSGOEUUUSLYGS-PBHICJAKSA-N 328.412 1.900 0 40 EDAB Cc1ccc(NC(=O)C[C@H](C(=O)O)N2CCNCC2)cc1Cl 22592741 HLXMIUWBGCCPNU-CYBMUJFWSA-N 325.796 1.335 0 40 EDAB CCN=c1cc(C)nc(N2CCN(Cc3csc(C)n3)CC2)[nH]1 1889098143 YCQXTQMEHOWPSK-UHFFFAOYSA-N 332.477 1.726 0 40 EDAB c1cc2c(N3CCN(c4ncnc5c4CCC5)CC3)ncnc2cn1 1889149020 YCIBVUXHLINJGV-UHFFFAOYSA-N 333.399 1.630 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CCc1nc(-c2ccccn2)no1 25304078 XFLFHZFXENBZBW-UHFFFAOYSA-N 326.360 1.456 0 40 EDAB c1ccc(CN2C[C@@H]3CC[C@H](NCCN4CCOCC4)[C@H]3C2)cc1 252587318 XLPNKMBUYSNUTG-UFYCRDLUSA-N 329.488 1.819 0 40 EDAB COc1cnc(C(=O)N2CC3(C[C@H](NC4CCCC4)CS3)C2)cn1 2056223484 NUQOTAZPBABTQT-ZDUSSCGKSA-N 348.472 1.718 0 40 EDAB Cc1nc(C(=O)N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)cs1 1565548588 FQIJRZZSUAIPHD-INIZCTEOSA-N 345.428 1.454 0 40 EDAB O=C(C1CC(F)(F)C1)N1CCn2c(CNc3cccnc3)nnc2C1 1565554268 WONFYVVWEASHBM-UHFFFAOYSA-N 348.357 1.673 0 40 EDAB COc1cccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 5184153 NKDOPAWLFYLWGP-UHFFFAOYSA-N 328.324 1.679 0 40 EDAB CN(C)[C@H](CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccsc1 8863596 IXWZFYDFVSAZFD-OAHLLOKOSA-N 349.431 1.923 0 40 EDAB COc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)NCCO3)cc1 9172146 FNFKTRNGCLGZOG-UHFFFAOYSA-N 342.351 1.835 0 40 EDAB O=C(NC1CCC1)[C@H]1CCc2c(C(=O)N3CCCCC3)ncn2C1 2055714563 HQDYFTOKRHECMM-ZDUSSCGKSA-N 330.432 1.740 0 40 EDAB Cc1nc(S(=O)(=O)NCCn2cc(-c3ccco3)cn2)cn1C 575615670 SNWXFWXZMAKEAT-UHFFFAOYSA-N 335.389 1.164 0 40 EDAB Cc1cccc(NC(=O)C(=O)NCC2CCN([C@@H]3CCOC3)CC2)c1 575615426 FDHHKIHMLNKZSH-QGZVFWFLSA-N 345.443 1.551 0 40 EDAB Cc1nc2ccccc2n1[C@@H]1CCN(S(=O)(=O)N2CCCC2)C1 585149219 KHXLJBUSBJQSSW-CQSZACIVSA-N 334.445 1.932 0 40 EDAB O=C(NCCCN1CCCCCC1=O)c1cccc(-n2cnnn2)c1 40489197 FRRNSAXQDOGCRL-UHFFFAOYSA-N 342.403 1.185 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1Br 52093574 PEKABCDROHNJMI-MRVPVSSYSA-N 335.223 1.098 0 40 EDAB CCc1nn(C)cc1CN(C)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 101962549 BGOHGAMVBFOFOA-KRWDZBQOSA-N 340.427 1.742 0 40 EDAB Cc1cnn([C@@H](C)[C@H](C)NCC2=NS(=O)(=O)c3ccccc3N2)c1 69737424 WSVFBJRGTIEPEJ-STQMWFEESA-N 347.444 1.944 0 40 EDAB CCOc1ccc(C(=O)N2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1 69737091 XOGHNPVHCODEAR-QGZVFWFLSA-N 346.427 1.939 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)CSCC(=O)c1ccccc1 69743551 LUOSRLKJMHTKHI-GFCCVEGCSA-N 343.470 1.494 0 40 EDAB CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H](C)O 32738735 AOAGIDOXAAPDJZ-RYUDHWBXSA-N 349.456 1.784 0 40 EDAB C[C@@H]1CN(S(=O)(=O)NCCc2cccc(Cl)c2)C[C@@H](C)O1 32895601 JMJSIALRRHAQSW-VXGBXAGGSA-N 332.853 1.826 0 40 EDAB CC(=O)Nc1cc(NC(=O)CSc2nc(N)cc(N)n2)ccc1C 4126196 UYGJYAABPCFPSE-UHFFFAOYSA-N 346.416 1.639 0 40 EDAB Cn1c(Cl)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C 494633 WGYYIQYFRXRBFA-UHFFFAOYSA-N 339.182 1.789 0 40 EDAB O=C(NCCc1ccco1)c1ccc(S(=O)(=O)NC2CC2)cc1 17910495 FQKSPQFPKINITI-UHFFFAOYSA-N 334.397 1.693 0 40 EDAB COc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc(OC)c1OC 7473254 XQHDFORVHMBNQZ-OAHLLOKOSA-N 343.401 1.019 0 40 EDAB CCN(C(=O)Nc1cc(OC)ccc1OC)[C@@H](C)CS(C)(=O)=O 75611076 KXDALBKLFQVDGZ-NSHDSACASA-N 344.433 1.991 0 40 EDAB COC(=O)CN(Cc1ccccc1Cl)Cc1nnnn1C1CC1 52864677 PUMIEGPDJSODEI-UHFFFAOYSA-N 335.795 1.837 0 40 EDAB COCCOc1ccc(CNC(=O)N[C@H]2CCN3CCCC[C@H]23)cn1 46818917 VSSRAETVCQWESN-JKSUJKDBSA-N 348.447 1.533 0 40 EDAB C[C@@H]1C[C@@H]1CNC(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1 47096797 OCYOMIBPZNVCQD-HUUCEWRRSA-N 346.479 1.488 0 40 EDAB C[C@H](O)CN1CCN(C(=O)CCCc2nc3ccccc3[nH]2)CC1 75602902 MFUFDOXMSWRYKE-AWEZNQCLSA-N 330.432 1.411 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 41672609 ALRFNEWLTGYSHF-CYBMUJFWSA-N 343.449 1.012 0 40 EDAB Cc1ccccc1CCNC(=O)CN1CCN(c2nccs2)CC1 54634836 JXBUPVVLEWBPHG-UHFFFAOYSA-N 344.484 1.932 0 40 EDAB O=C(CCc1ncc(-c2ccccc2)o1)NCCNC(=O)C1CC1 54671487 UWJZMNQNXJKOLU-UHFFFAOYSA-N 327.384 1.917 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1cccnc1)C2=O 23874592 BDCILJFVSUTIGY-UGSOOPFHSA-N 344.415 1.241 0 40 EDAB C[C@@H]1CN(C(=O)c2cc(F)cc3[nH]cnc23)C[C@H]1N1CCOCC1 76056834 JQRPTRKXGMWDBE-IAQYHMDHSA-N 332.379 1.495 0 40 EDAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(-c2nnn[nH]2)cc1 24382293 JDSKYFLWBUUBRH-UHFFFAOYSA-N 347.382 1.955 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)NCc1cccnc1-n1cccn1 24795768 FRNLEYQXSYVSLK-LBPRGKRZSA-N 339.355 1.295 0 40 EDAB O=C(Nc1ccccc1)C1CCN(Cc2nnnn2C2CC2)CC1 24857548 VIZGNXITUHAJAX-UHFFFAOYSA-N 326.404 1.859 0 40 EDAB COCCCNC(=O)C1CCN(C(=O)NC2CCCCC2)CC1 55340797 YDADPXZEDNCQBO-UHFFFAOYSA-N 325.453 1.893 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1 106512274 JBZNUNZYCOGCPA-ZQDZILKHSA-N 328.478 1.601 0 40 EDAB NC(=O)c1ccccc1OCC(=O)NCCCOCc1ccccc1 25182310 IJRHZTWJBJLLFQ-UHFFFAOYSA-N 342.395 1.887 0 40 EDAB CC[C@H](COC)NC(=O)N1CCN(c2ccc(Cl)cn2)CC1 76018531 NVZWMHFAAQEXBI-CYBMUJFWSA-N 326.828 1.992 0 40 EDAB COc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 100572375 NWQLKYXVVVMRQI-FCIDVOKBSA-N 342.351 1.156 0 40 EDAB O=C(NCCNC(=O)c1ccccc1)N[C@@H]1c2ccccc2C[C@@H]1O 57004268 LXCMNTKYVDZGAZ-DLBZAZTESA-N 339.395 1.374 0 40 EDAB CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3241679 XKQGDFUEKCGJIW-CQSZACIVSA-N 340.445 1.362 0 40 EDAB C[C@H](CNC(=O)N1CCO[C@H](CCc2ccccc2)C1)[S@@](C)=O 108393500 KKIURBDBZOLFFB-SWHMAYCHSA-N 338.473 1.797 0 40 EDAB Cn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)CCC4)CCO2)cn1 97012743 GEEMONQJYIILSF-QGZVFWFLSA-N 347.440 1.671 0 40 EDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 62119899 NOQUYDTVNLRSOR-MRVPVSSYSA-N 334.191 1.544 0 40 EDAB COCCNC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C 44895402 QQZQJZKMBMGVPG-UHFFFAOYSA-N 331.298 1.065 0 40 EDAB CC(C)c1nc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c[nH]1 97048146 NRERPCHCYFMIFY-GFCCVEGCSA-N 338.437 1.226 0 40 EDAB Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(-n3cnnn3)c2)o1 58290770 GSYBPARRNPVSCJ-LLVKDONJSA-N 333.373 1.603 0 40 EDAB CNc1snc(C)c1C(=O)N1CCN(Cc2cc(C)no2)CC1 48291112 IOIUYQQNIMALFR-UHFFFAOYSA-N 335.433 1.748 0 40 EDAB CCCN(CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1)CC(F)(F)F 58295310 BYUINKMYFITCSJ-VIFPVBQESA-N 337.342 1.779 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccc(F)cc1)C2=O 3362627 XRTCMEBYTNOZAX-KZULUSFZSA-N 347.390 1.943 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cccc(-n3cnnn3)c2)c1 72233946 SYICUZHXPDLHNI-MRXNPFEDSA-N 337.387 1.472 0 40 EDAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCCCN1CCCC1=O 58304652 SKYMWVIILUWVIX-LLVKDONJSA-N 326.343 1.861 0 40 EDAB Cn1cc(/C=C/C(=O)N2CCC[C@H]3CCCC[C@H]32)c(=O)n(C)c1=O 58403953 UPTZEALPQRNNBI-YQPYWJPPSA-N 331.416 1.278 0 40 EDAB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C)c1nncn1C 58417980 BRSAQQPJXZRQCS-GBYBRZQVSA-N 327.388 1.210 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C1 28199924 JFDUXKVFEIGDGI-KBPBESRZSA-N 338.473 1.896 0 40 EDAB CCCn1c(CN2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C 2334769 NOGCEGUQZGEWPO-LBPRGKRZSA-N 333.436 1.218 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@H]1Cn1cccn1 72280002 LIXZEJNFMIKMKX-HNNXBMFYSA-N 337.387 1.228 0 40 EDAB COc1ccc(CNC(=O)COc2ccccc2C(N)=O)cc1OC 3452717 MYDKJGXUXGIBQN-UHFFFAOYSA-N 344.367 1.498 0 40 EDAB Cn1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)n1 72269166 BQKYEIIVTFELIY-VXGBXAGGSA-N 346.353 1.110 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)C[C@@H]1CCCN1c1cccnn1 69894731 DZNAHBXUKBZGIF-PMPSAXMXSA-N 347.463 1.061 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1=O 3597122 YAVBKFMDNIQBDH-FZMZJTMJSA-N 335.379 1.969 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CC1CCN(CCO)CC1 69951314 KWZPXNSJHBBATG-WBVHZDCISA-N 325.497 1.317 0 40 EDAB C[C@H](C(=O)NCCc1ccccc1)N1CCN(C(=O)C2CC2)CC1 12913625 SJRNASJZQIROJL-OAHLLOKOSA-N 329.444 1.288 0 40 EDAB Cc1ccc(CC(=O)N2CCC(N(C)c3cccnn3)CC2)cn1 69929819 RRYUQFGSYDXHIL-UHFFFAOYSA-N 325.416 1.850 0 40 EDAB O=C(CCCNc1ncccn1)N1CCCC[C@@H]1Cn1cccn1 69971803 GVRCMVCVHDAZAO-OAHLLOKOSA-N 328.420 1.947 0 40 EDAB C[C@@H](Cn1cccn1)NCC(=O)NC[C@H]1CCN(c2ccccc2)C1 72267734 FFXBTADRZZSZFE-DLBZAZTESA-N 341.459 1.504 0 40 EDAB COc1ccc(NCC(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)cc1 6388414 YXXXTYSILOKCCB-CYBMUJFWSA-N 331.294 1.966 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)N[C@H](C)Cn2cccn2)c1 65414267 AAZHGLKMNCUTLI-IUODEOHRSA-N 348.403 1.322 0 40 EDAB Cc1cc(C(=O)NC2CCN(c3ncnc4c3cnn4C)CC2)on1 65410681 KJBCERLOAVDZGO-UHFFFAOYSA-N 341.375 1.059 0 40 EDAB NC(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 4490382 RRTQUODYYILVEJ-UHFFFAOYSA-N 334.353 1.130 0 40 EDAB Cc1ccccc1CCNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 65590450 FPIHWRIQJWHBMG-OAHLLOKOSA-N 339.461 1.261 0 40 EDAB Cc1cc2n(n1)C[C@H](CNCc1ccc(OCCN(C)C)cc1)CN2 65623847 HHUMUZSHRWIQKA-QGZVFWFLSA-N 343.475 1.963 0 40 EDAB CN(Cn1c(=O)oc2cc(Cl)ccc21)[C@H]1CCS(=O)(=O)C1 14286984 KWFWHZXXSPGKCV-JTQLQIEISA-N 330.793 1.324 0 40 EDAB O=C(O)[C@@H]1CS[C@@H](c2cc3c(cc2Br)OCO3)N1 5730949 UDKXIQLKNNYCCI-XVKPBYJWSA-N 332.175 1.966 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)c2cc(Cl)ccc2O)C[C@H](C)O1 4808830 WWJDANWGSFCOKP-UWVGGRQHSA-N 327.764 1.838 0 40 EDAB COc1ccc([C@H]2NNC(=O)[C@@H]2NC(=O)c2cccc(C)c2)cc1 9094796 ILSKKHDJVDEDMV-HZPDHXFCSA-N 325.368 1.478 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1 84281322 OMTXAOIQPZPHIN-CYBMUJFWSA-N 346.391 1.261 0 40 EDAB Cc1ccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1F 67557545 LEGFFNRTIWLMDI-GFCCVEGCSA-N 329.397 1.680 0 40 EDAB C[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)c1nnnn1-c1ccccc1 97135227 UZIRPLUQYJCPGV-CZUORRHYSA-N 340.431 1.714 0 40 EDAB CC(=O)NCCC(=O)N(CCN(C)C)Cc1ccc(Cl)cc1 68476345 SLIARXXWBREOMA-UHFFFAOYSA-N 325.840 1.756 0 40 EDAB CC(C)c1cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)nn1C 81091618 PJTAUSCSQWEZTK-ZDUSSCGKSA-N 334.420 1.053 0 40 EDAB COc1cccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)c1 7802624 BOPNJMQVJVMIAT-UHFFFAOYSA-N 338.363 1.998 0 40 EDAB CCNC(=O)CNC(=O)CSc1nccn1-c1ccc(C)cc1C 9367171 ZTKQXAVZIVEVJI-UHFFFAOYSA-N 346.456 1.834 0 40 EDAB Cc1ccc(N2CCCN(C(=O)CCn3nc(C)cc3C)CC2)nn1 69493557 ZTOIHCXZRKSSMT-UHFFFAOYSA-N 342.447 1.727 0 40 EDAB COCCN(Cc1ccc(F)cc1Cl)C(=O)CN(C)C(C)=O 69489937 RUADEWBDHZXNPM-UHFFFAOYSA-N 330.787 1.932 0 40 EDAB O=C(CN1CCN(CCO)CC1)Nc1ccnn1CC1CCCCC1 69631827 ZEXKYIATCHIRRR-UHFFFAOYSA-N 349.479 1.012 0 40 EDAB Cc1cccc(Cn2cccc(C(=O)N3CC[C@@H](C(N)=O)C3)c2=O)c1 71829415 FANIVROUSZPRCP-OAHLLOKOSA-N 339.395 1.152 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)CS(=O)(=O)C(C)C)c1 71865984 RLVHIGZBQFXNME-AWEZNQCLSA-N 327.450 1.396 0 40 EDAB COc1ccc(CCN2CCN(C(=O)c3cc(C)nn3C)CC2)cc1 71836587 CAZDQRMPQVGPLE-UHFFFAOYSA-N 342.443 1.738 0 40 EDAB Cn1c(CN2CCC[C@H]2Cc2ccc(F)cc2)cc(=O)n(C)c1=O 71818425 TVKQENNPDKHZTQ-HNNXBMFYSA-N 331.391 1.430 0 40 EDAB COc1cc(CNC(=O)c2csc(C)n2)ccc1OCC(N)=O 71833078 RPUBTNKWXAFOMZ-UHFFFAOYSA-N 335.385 1.254 0 40 EDAB CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc(N(C)C)nc1 71853492 NJUJYBGBGVPFKP-UHFFFAOYSA-N 340.427 1.926 0 40 EDAB COc1cccc(C(=O)NC2CCN(C[C@@H](O)C(F)(F)F)CC2)c1 97141581 SDDGWPNIGUFUCH-CQSZACIVSA-N 346.349 1.813 0 40 EDAB CCn1nc2c(cc1=O)CN(CC(=O)N(C)Cc1ccc(C)o1)CC2 72302218 PMKJQBWEGUYREP-UHFFFAOYSA-N 344.415 1.181 0 40 EDAB COc1c(C(=O)OCC(=O)N2CCCc3ccccc32)c(C)nn1C 71900808 MOESHZPPUWIFBW-UHFFFAOYSA-N 343.383 1.873 0 40 EDAB C[C@H](NC[C@@H](c1cccs1)N1CCOCC1)C(=O)N1CCCC1 72314837 AQCNRNBMFZAHKS-GJZGRUSLSA-N 337.489 1.722 0 40 EDAB O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN1C(=O)Cc1ccccc1 77150982 JTGXFZQOTVAHEM-BZSNNMDCSA-N 344.455 1.887 0 40 EDAB CC(C)CNC(=O)[C@@H](C)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 84544294 FYABURYHLLUHCK-GHMZBOCLSA-N 347.385 1.653 0 40 EDAB CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(COC)cc1 84736321 LIQRCTZDIWNDDY-IRXDYDNUSA-N 340.489 1.983 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cnc(N)c(Cl)c1 95459323 BOQPGZGJOFIKCC-CYBMUJFWSA-N 349.822 1.881 0 40 EDAB Cc1nc(-c2ccc(NC(=O)c3ccc(=O)n(C)n3)cc2Cl)n[nH]1 95463305 LAHUAVATPLAGKY-UHFFFAOYSA-N 344.762 1.780 0 40 EDAB CCCc1n[nH]c([C@H]2CN(Cc3nnsc3Cl)CCO2)n1 78893226 YLMIGPZDYFPSJH-SECBINFHSA-N 328.829 1.836 0 40 EDAB O=C(COc1ccc2c(c1)CCC2)N1CCOC[C@@H]1c1ncon1 95981341 JSYKUQRJXBEHGB-OAHLLOKOSA-N 329.356 1.537 0 40 EDAB CCC[C@@](C)(NC(=O)COc1cccc(S(C)(=O)=O)c1)C(=O)O 95969840 GMAAYCHLSTYDKD-OAHLLOKOSA-N 343.401 1.229 0 40 EDAB Cc1cc(=O)[nH]c([C@@H](C)Sc2nnc(N3CCOCC3)s2)n1 79105150 PAZXARUDASNRAW-SECBINFHSA-N 339.446 1.620 0 40 EDAB Cc1cc(O)cc(=O)n1CC(=O)NCc1cccc(OC(F)F)c1 75108461 LHFMAPVRAFMBDA-UHFFFAOYSA-N 338.310 1.780 0 40 EDAB OC[C@H]1CCCN1c1cc(NCCc2cn3ccccc3n2)ncn1 75584624 SNMIVQZDXZHYKM-OAHLLOKOSA-N 338.415 1.740 0 40 EDAB Cc1cc(CN2CC3(C[C@H](Oc4ncccn4)CCO3)C2)n(C)n1 306132217 LCAAOPFJLRFEKI-OAHLLOKOSA-N 329.404 1.331 0 40 EDAB CO/C=C1\C(=O)NC(=O)c2ccc(I)cc21 36257424 DCJOJTUNUGODPU-UITAMQMPSA-N 329.093 1.549 0 40 EDAB COc1c[nH]c(C(=O)NCCc2c[nH]c3ccc(F)cc23)cc1=O 524733306 GEIRHIXBZUIJGR-UHFFFAOYSA-N 329.331 1.976 0 40 EDAB COc1ccccc1CC(=O)Nc1cc(N2CCN(C)CC2)ncn1 75166225 PYPXYOQNQDWBIS-UHFFFAOYSA-N 341.415 1.418 0 40 EDAB COCCCNC(=O)CC1(c2oc(C)cc(=O)c2O)CCOCC1 1547139675 XOAIWYDYRUGFBQ-UHFFFAOYSA-N 339.388 1.245 0 40 EDAB biogenic Cn1ccc(/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)c1 35648629 MRJWIUBJEKUUMN-HMXLAXJASA-N 340.382 1.154 0 40 EDAB CC(C)Cc1nc(NC(=O)[C@H](c2ccccc2)n2cnnn2)n[nH]1 79488661 QIDYTYCXIHCPOK-ZDUSSCGKSA-N 326.364 1.218 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2Cc2ccco2)N1CCN1CCOCC1 503867892 WGVQRABWCFGWLP-IRXDYDNUSA-N 333.432 1.177 0 40 EDAB Cn1cc(C(=O)Nc2ccc3nncn3c2)c([C@H]2CCCNC2)n1 567462922 LTOVATVEGITZAL-NSHDSACASA-N 325.376 1.182 0 40 EDAB c1ccc(OCCNC2CCN(c3ncnc4[nH]ncc34)CC2)cc1 78294202 DOEGXHIZPOBGSK-UHFFFAOYSA-N 338.415 1.990 0 40 EDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCOC)cc(C)c21 71195935 DYCGAWWDDAVTIS-UHFFFAOYSA-N 340.445 1.564 0 40 EDAB CCOC(=O)CN1CC(c2nc(Cc3ccccc3OC)no2)C1 75156534 MYGORHCVUJKEJJ-UHFFFAOYSA-N 331.372 1.631 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H](Oc2cccnn2)C1 225456113 SNMLSCSOXIKRFW-AWEZNQCLSA-N 341.367 1.818 0 40 EDAB O=S(=O)(N1CCCC1)N1CCN(c2ncnc3ccccc23)CC1 44406373 NXZLOBUCTNCVHE-UHFFFAOYSA-N 347.444 1.092 0 40 EDAB CCC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224740218 AOLZTZDSYWDHFC-MRVPVSSYSA-N 334.467 1.990 0 40 EDAB O=C1CN(C(=O)NCCc2cnc(C3CC3)nc2)[C@@H]2CCCC[C@@H]2N1 332764371 XPILCEAQQHNOAB-LSDHHAIUSA-N 343.431 1.349 0 40 EDAB CN(C)CCN1CCOCC12CCN(C(=O)c1cccc(F)c1)CC2 96074656 WXJIQQLMURZWBT-UHFFFAOYSA-N 349.450 1.694 0 40 EDAB O=C(NCC1CCOCC1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95475753 HNHKGQHEQPMMEL-CYBMUJFWSA-N 342.399 1.459 0 40 EDAB CC(C)[C@@H](C)NC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96266081 FECVMIHNNMYQNG-LLVKDONJSA-N 348.428 1.439 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(-c2nc[nH]n2)c1 95959621 LJXJNTIACROTES-CYBMUJFWSA-N 349.416 1.224 0 40 EDAB CN(C)CCn1c2c(ccc1=O)CCN(C(=O)c1cccs1)CC2 96067736 FZSGZXPAJOZPEP-UHFFFAOYSA-N 345.468 1.712 0 40 EDAB O=C(N1CCOCC1)N1CCC2(CC1)C(=O)N[C@H]2c1ccccc1 96244731 FRTWPCIPUNEPTE-HNNXBMFYSA-N 329.400 1.392 0 40 EDAB COCCNc1ccnc([C@H]2COCCN2Cc2nccs2)n1 96220562 IMLFVYBUCPRBCQ-GFCCVEGCSA-N 335.433 1.565 0 40 EDAB CN1C(=O)C[C@@H](CNC(=O)c2cccc(F)c2F)[C@@H]1c1nccn1C 580105411 WLRHOLZSXCMCOH-ZUZCIYMTSA-N 348.353 1.648 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CN(Cc1ccccn1)CCO2 96158835 NESILNCDWYDTTO-UHFFFAOYSA-N 341.459 1.682 0 40 EDAB c1cnc(N2CC[C@H]3[C@@H](CC2)OCCN3Cc2ccncc2)nc1 96082246 LRYSOELNLJUUDQ-DLBZAZTESA-N 325.416 1.741 0 40 EDAB O=C(c1c[nH]nc1-c1cccc(Cl)c1)N1CCCS1(=O)=O 97094589 GHJLPDZKLZYFOB-UHFFFAOYSA-N 325.777 1.906 0 40 EDAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2c(c1)OCO2 96186228 WMOVVVFAIDJMMR-HUUCEWRRSA-N 332.400 1.627 0 40 EDAB CCn1nc(C)cc1C(=O)NCCc1cccc(C(=O)N(C)C)c1 96423160 XQPIDJZPGBJKRE-UHFFFAOYSA-N 328.416 1.886 0 40 EDAB CCc1noc(Cn2cc(I)cc(C)c2=O)n1 95441018 UJYIOEKXUXQCBY-UHFFFAOYSA-N 345.140 1.755 0 40 EDAB COc1ccccc1[C@@H]1CNCCN1S(=O)(=O)c1cccnc1 257252898 JWOUTWHVGDASLW-HNNXBMFYSA-N 333.413 1.425 0 40 EDAB Cc1cn[nH]c1C[C@@H]1CCCN(S(=O)(=O)c2cn(C)nc2C)C1 257245738 IQXHNNMJWFARKW-ZDUSSCGKSA-N 337.449 1.403 0 40 EDAB O=C(C1CC1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 585086051 BWINNSTXDXZHJQ-HTQZYQBOSA-N 332.244 1.997 0 40 EDAB CCc1cc(C(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)no1 257205472 AZFZMTXNRSXMSE-GOSISDBHSA-N 344.415 1.736 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2coc3cc(C)ccc23)C1 257218184 DCEDPNZLBDDNQM-OAHLLOKOSA-N 343.427 1.420 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)Cc2c(C)noc2C)CCO1 257225911 FIILAVSOKVKDRJ-ZDUSSCGKSA-N 331.376 1.266 0 40 EDAB CC(=O)N[C@@H]1CO[C@@H]2CCN(Cc3ccc(C)cc3)C[C@@H]2C[C@@]1(C)O 257279132 OFDIMMMGNHCNLG-MTQWCTHYSA-N 346.471 1.862 0 40 EDAB CC[C@H](O)CN(C)[C@@H](C)c1ccccc1N1CCCS1(=O)=O 252487872 IDBCMSMLWPEHTL-KBPBESRZSA-N 326.462 1.990 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)c2cccc3ncccc23)CCO1 257309932 UCYFSHWBMKCUPI-HNNXBMFYSA-N 335.367 1.821 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1 257235420 GXTWLZJMIMXRJK-KRWDZBQOSA-N 343.431 1.465 0 40 EDAB C/C=C/C=C/C(=O)O[C@@H]1CC/C=C/[C@H](O)[C@@H](O)[C@H](CCC)OC1=O 253389619 TXPRZPDVUZCNLB-IEVLOGKLSA-N 338.400 1.814 0 40 EDAB biogenic,in-vitro CN(Cc1ccccc1)CC1CCN(c2cc(=O)n(C)c(O)n2)CC1 1615053149 DMKIDLXWPDAJJS-UHFFFAOYSA-N 342.443 1.834 0 40 EDAB O[C@H]1[C@H]2C[C@@H]3[C@@H]4[C@@H]2C[C@H]([C@@H]4O)N(c2ccc(C(F)(F)F)cn2)[C@H]13 606445128 SGPWDFMZSANYFV-CBZUBXMBSA-N 326.318 1.665 0 40 EDAB CCN1CC[C@@H](NC(=O)c2cc(C(F)(F)F)nn2C)C(F)(F)C1 1615615399 QMHVXNGXFKAHPD-SECBINFHSA-N 340.296 1.898 0 40 EDAB O=C(Cn1cnc(C(F)F)cc1=O)N1CCO[C@@H]2CCCC[C@H]21 291556243 BQIHFOYFEAXPJC-VXGBXAGGSA-N 327.331 1.351 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)NCCn1cnc2ccsc2c1=O 390829689 FXWOOIXNILLTAR-UHFFFAOYSA-N 345.428 1.547 0 40 EDAB COCCOCCS(=O)(=O)Nc1ccc2[nH]c(=O)c(C)cc2c1 585140052 MHPPXGHEFZLJCZ-UHFFFAOYSA-N 340.401 1.241 0 40 EDAB Cc1cc(C(=O)N2CC[C@](O)(COc3ccccc3)C2)nc(O)n1 585276968 QMPBNEXDZJQJIP-QGZVFWFLSA-N 329.356 1.147 0 40 EDAB Cc1ccc(C)c(CC(=O)N2CCn3c(nnc3C(C)(C)O)C2)c1 585141860 ZTPQHLLNVDPRHF-UHFFFAOYSA-N 328.416 1.707 0 40 EDAB CC(C)C(=O)NCC[C@@H]1CN(Cc2cnn(C)c2)Cc2ccnn21 585112193 KYYRBAKCUMQZNB-OAHLLOKOSA-N 330.436 1.336 0 40 EDAB Cc1cccc(CN2Cc3ccnn3[C@@H](CNC(=O)N(C)C)C2)n1 585112529 RATBULUVPIMUHJ-INIZCTEOSA-N 328.420 1.415 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)c1nc(CC)n(-c2ccccc2Cl)n1 69390724 KAAYENWUPJIGTH-SNVBAGLBSA-N 349.822 1.738 0 40 EDAB Cc1cnn(C[C@@H](C)NCC2=NS(=O)(=O)c3ccccc3N2)c1 69493505 FSVAOQXBZOISHW-GFCCVEGCSA-N 333.417 1.383 0 40 EDAB Cc1c(NC(=O)NC[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 69452248 BEGUVMHLNVTVHC-AWEZNQCLSA-N 330.388 1.785 0 40 EDAB CC(=O)N1CCCC[C@@H]1CC(=O)N1CCCN(c2cccnn2)CC1 69979477 PYVCQKXYIASQSF-MRXNPFEDSA-N 345.447 1.306 0 40 EDAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CSCN2C(C)=O)C1 69919382 OIEZCQXKIWFESK-ZIAGYGMSSA-N 336.461 1.530 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(Cc3csc(C)n3)CC2)n1 68126800 SSJYYUXLLLPEQW-UHFFFAOYSA-N 332.477 1.938 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)[C@@]3(C)CC3(Cl)Cl)C2=O)cn1 98010392 OOPZWZUCCMHSJJ-BXKDBHETSA-N 331.203 1.226 0 40 EDAB Cc1nc(O)cc(C(=O)N[C@H]2CCCN(C)[C@H]2Cc2ccccc2)n1 1615086159 CCNWSNALYKXFQC-RDJZCZTQSA-N 340.427 1.926 0 40 EDAB O=C(C1CCCC1)N1CCC[C@@H]1Cn1nnc(-c2ccncc2)n1 12142284 WAFNPDKGCOWJCA-OAHLLOKOSA-N 326.404 1.916 0 40 EDAB O=C(Cn1nc2c3ccccc3ncn2c1=O)N1CCCCCC1 12181784 XRRHTBUOBXXJCK-UHFFFAOYSA-N 325.372 1.447 0 40 EDAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)N3CCC[C@@H](C)C3)n2)c(C)o1 12183707 DRMWMWKDXHOGTR-LLVKDONJSA-N 344.415 1.961 0 40 EDAB COc1nc(C)c(CC(=O)N[C@H](C)c2c(C)n[nH]c2C)c(OC)n1 12198260 ZMNYPDYKVDWQJX-SECBINFHSA-N 333.392 1.562 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1ccc(OC)cc1 16955641 CYTLSYCGVLNAOS-ZDUSSCGKSA-N 342.351 1.560 0 40 EDAB biogenic COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccncc3)C2)no1 19593569 CDNSWPXNSCXWSO-OAHLLOKOSA-N 344.415 1.825 0 40 EDAB CN1CCC(c2nnc3n2CCN(C(=O)[C@H]2CC24CCC4)C3)CC1 19711275 ZXWFWVITYZMNGX-CQSZACIVSA-N 329.448 1.620 0 40 EDAB COCC(=O)N1CCC[C@@H]1c1c(CN(C)C)cnc2cc(C)nn12 19743522 SPZWAJBJQYNBBW-CQSZACIVSA-N 331.420 1.409 0 40 EDAB O=S(=O)(CCc1ccccc1)N[C@H]1CCN(c2nccs2)C1 206817763 GBEPNYZWSYYMDX-AWEZNQCLSA-N 337.470 1.884 0 40 EDAB Cn1ccnc1[C@H]1CNCCN1C(=O)c1ccnn1C1CCCC1 516048811 OZBFNDXBADNRNF-OAHLLOKOSA-N 328.420 1.518 0 40 EDAB CN1C(=O)CCc2cc(C(=O)N3[C@H]4CC[C@H]3[C@H](C(=O)O)C4)ccc21 563212522 UFKUBUCJIYVPJF-GUTXKFCHSA-N 328.368 1.673 0 40 EDAB CC(C)c1nccc(N2C[C@@H]3CN(c4cc(O)nc(O)n4)C[C@H]3C2)n1 1888844126 KJLVEHDXQUXOQG-VXGBXAGGSA-N 342.403 1.374 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)CC5CC5)C[C@@H]4C3)n1)CCC2 1888857079 HJIYXYNBTLVWLK-HUUCEWRRSA-N 326.444 1.968 0 40 EDAB CC(C)(C)c1cc(N2CCN(c3ncnc4n[nH]cc34)CC2)ncn1 1888879510 YKQLUTKOSFFXSN-UHFFFAOYSA-N 338.419 1.767 0 40 EDAB CC(=O)N1CCC(N2C[C@H]3CC[C@@H](N=c4cncc[nH]4)[C@H]3C2)CC1 2037846368 OSCMRXTZQVQNPO-HYVNUMGLSA-N 329.448 1.032 0 40 EDAB O=C1CC(C(=O)N2CC[C@H]3C[C@]32C(=O)Nc2cccc(F)c2)=CC=N1 2056224333 YNMOCLLQQDLPAZ-KPZWWZAWSA-N 341.342 1.683 0 40 EDAB COc1cnccc1C(=O)N1CC2(C1)CN(C(C)C)c1nccnc12 1565556519 MBYDPSRMKVBGIA-UHFFFAOYSA-N 339.399 1.502 0 40 EDAB CCc1ccc(C(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)cn1 1565545219 ZTNXOQGLRJSMDS-UHFFFAOYSA-N 330.432 1.910 0 40 EDAB COc1cnccc1C(=O)N1C[C@@H]2COC[C@]2(Cc2nc(C)no2)C1 2055756365 JIYPBRDIMQANNL-PXAZEXFGSA-N 344.371 1.113 0 40 EDAB CCC(CC)NC(=O)c1ncn2c1CC[C@H](C(=O)NCCOC)C2 2055714587 KGYAASAWMGDZBN-LBPRGKRZSA-N 336.436 1.127 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@]2(O)C=CCCC2)cc1 618257450 WMFWSRANYICBCB-OAHLLOKOSA-N 325.386 1.223 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)C1 40071760 PCROEMODNRBHNK-AWEZNQCLSA-N 338.477 1.748 0 40 EDAB COc1ncccc1CNC(=O)C1=NN(c2ccccc2)C(=O)CC1 30307343 MZHJPCAMQDCLHJ-UHFFFAOYSA-N 338.367 1.889 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN2CCCCCC2)cc1C(N)=O 30338385 BZSHJEGCFGLCTB-UHFFFAOYSA-N 339.461 1.248 0 40 EDAB CCN1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2C)CC1 51133799 MXDMKFFEUCZETK-UHFFFAOYSA-N 326.418 1.108 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)/C=C/c1ccccc1F 30584002 BNZPJZOJLNZLRE-ATWMFIQVSA-N 340.420 1.769 0 40 EDAB O=C(CN1CCOc2ccccc21)NC[C@@H]1COc2ccccc2O1 30594485 FGCCZGLXLCRCHM-CQSZACIVSA-N 340.379 1.842 0 40 EDAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cnc(C)cn2)cc1 30536353 FPXIRUAAILVWNY-SFHVURJKSA-N 340.427 1.897 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 31389995 GPAKNPNPBWRXHX-CYBMUJFWSA-N 339.399 1.647 0 40 EDAB CCn1cc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)ccc1=O 40554160 RYYAJWJAKSOJKA-BJMVGYQFSA-N 348.380 1.767 0 40 EDAB COC(=O)CCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32424698 MRJKWJPVJVYNCJ-HNNXBMFYSA-N 344.411 1.598 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)N3CCOC[C@H]3C)ccc2c1=O 32652180 AEBRCFHBJKVMAO-LLVKDONJSA-N 331.372 1.132 0 40 EDAB Cc1nn(C)c(C)c1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 9478479 RPBRGCBLMWFEGL-UHFFFAOYSA-N 343.339 1.408 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(c3nc4ccccc4s3)C[C@@]23C=C[C@H]1O3 102160363 KHOAGJBAFBWFAW-WKCLZBRGSA-N 328.349 1.667 0 40 EDAB CC(=O)N[C@@H](CCCCN)C(=O)Nc1ccc2ccc(=O)oc2c1 2569708 RIVQVXAGEYHPQV-AWEZNQCLSA-N 331.372 1.365 0 40 EDAB CCc1[nH]c(C(=O)NCC(=O)NCc2ccco2)c(C)c1C(=O)OC 32821050 COOKABWFJNEXDM-UHFFFAOYSA-N 347.371 1.311 0 40 EDAB S=c1c2nc[nH]c2ncn1CCSC1=NC=NC2=NC=N[C@H]21 6585258 CQGCYOVRVCDJGX-SSDOTTSWSA-N 330.402 1.471 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCC(C)C)cc1 7077750 GIDOOVUULGJROD-ZDUSSCGKSA-N 342.461 1.914 0 40 EDAB CN1CC[C@@H](NC(=O)COc2ccccc2Br)C1=O 97031914 GKXTVNVUYUATLR-SNVBAGLBSA-N 327.178 1.175 0 40 EDAB NC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1Cl)C(=O)O 37366728 UJKXCPLXWMVDSV-MRVPVSSYSA-N 349.568 1.161 0 40 EDAB CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2CC(=O)NCc1ccc(F)cc1 100433687 CMQKFRXCWMINRL-ROUUACIJSA-N 347.434 1.964 0 40 EDAB CCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3ccc(C)o3)ccc2c1=O 47301889 VJOSJHBDJPBNAU-UHFFFAOYSA-N 341.367 1.883 0 40 EDAB C[C@@H](NC(=O)CN1CCC(N2CCN(C)C2=O)CC1)c1ccco1 75604069 OAHWBAJGPKMSEL-CYBMUJFWSA-N 334.420 1.289 0 40 EDAB O=C(CCOc1ccccc1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269104 ZJVCFKALEFBDJJ-CVEARBPZSA-N 336.407 1.652 0 40 EDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 42629291 XYXVQLYXGVMVCQ-UHFFFAOYSA-N 326.418 1.190 0 40 EDAB CC(C)c1nc([C@@H]2CCCN(C(=O)CN3CCCNC3=O)C2)no1 72232365 YBRQNARVYZBTEX-GFCCVEGCSA-N 335.408 1.314 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCc2c(Cl)cccc21 55088836 WZIFRTCABMHDTB-NOZJJQNGSA-N 328.821 1.814 0 40 EDAB CCCCN(C(=O)CCCn1ccnc1)[C@H]1CCS(=O)(=O)C1 72274538 HILLKIISMKRBNJ-AWEZNQCLSA-N 327.450 1.479 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 24803954 UJSNPZYBAYWQLK-SNVBAGLBSA-N 343.355 1.698 0 40 EDAB COC(=O)c1n[nH]c2ccc(NC(=O)CN3CCCCCC3=O)cc12 25014774 KRFMIJXQXHLHDM-UHFFFAOYSA-N 344.371 1.691 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C3[C@H]4CCC[C@H]34)CC2)C1 102694610 CBVJQVLDKORVGS-NCOADZHNSA-N 347.503 1.872 0 40 EDAB O=C(Cc1csc(-c2ncccn2)n1)N1CCO[C@H]2CCC[C@H]21 56198234 LVZKKHVREAZVDP-OLZOCXBDSA-N 330.413 1.923 0 40 EDAB COc1ccc(-c2nn([C@@H]3CC(=O)[C@H]4OC[C@H]3O4)c(=S)n2C)cc1 103281698 WRMVYVASKKHCME-KYOSRNDESA-N 347.396 1.882 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1nc2ccccc2[nH]1 26964724 HJQVHEWPLLCDDA-UHFFFAOYSA-N 347.378 1.701 0 40 EDAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NC1CCN(C)CC1 113944230 LVCOPNLKZHQJJW-UHFFFAOYSA-N 325.434 1.191 0 40 EDAB CCNc1nnc(SC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)s1 58162455 XEXBLDRBVOWMDE-AXFHLTTASA-N 332.495 1.532 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)NC[C@H](O)c1cccc(Cl)c1 48229691 BFNROWOWNCXJMT-MFKMUULPSA-N 346.836 1.107 0 40 EDAB COc1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)ccc1OCC(N)=O 58264932 PQSAZFVROUAYRW-UONOGXRCSA-N 348.399 1.343 0 40 EDAB Cc1noc(C)c1CC(=O)NCC1(N2CCOCC2)CCCCC1 23625014 VXSKPWIUKJTKRN-UHFFFAOYSA-N 335.448 1.985 0 40 EDAB CN(C)c1nc(CN2CCOC[C@@H]2CC(=O)c2ccco2)ns1 97103300 WHDMDMZBJDNGDU-NSHDSACASA-N 336.417 1.671 0 40 EDAB C[C@H]1CN(C[C@@H]2CCCN2Cc2cccc(C(N)=O)c2)C[C@@H](C)O1 58202961 YIDLPRPDWMCKIK-DAYGRLMNSA-N 331.460 1.859 0 40 EDAB COc1ccccc1N1CC[C@H](CNS(=O)(=O)N(C)C(C)C)C1 58295906 CWPUANZRUWERKV-CQSZACIVSA-N 341.477 1.696 0 40 EDAB C[C@@H](NC(=O)c1ccccc1-n1ccnn1)[C@@H](O)Cc1ccccc1 97107465 QIIIFWXLQXRVFB-KDOFPFPSSA-N 336.395 1.989 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@H]1CC(=O)N(C)C1)O[C@@H](C)C2 44911833 INHMRFJJUGLEQH-FZMZJTMJSA-N 332.400 1.503 0 40 EDAB CC(=O)c1ccc(N2CCN(Cn3nnnc3C(C)(C)C)CC2)cc1 44936439 WFMQYNLYNGFOBT-UHFFFAOYSA-N 342.447 1.953 0 40 EDAB Cc1cc(NC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)no1 44968465 SJVQSPIBLJKEBC-LBPRGKRZSA-N 347.297 1.678 0 40 EDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](C)C2)c1 27967227 QGCDMEXEMAOIMD-SECBINFHSA-N 333.793 1.536 0 40 EDAB CC1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc(Cl)s2)C1=O 3341434 RQDAYWVSWZLOMV-UHFFFAOYSA-N 344.776 1.458 0 40 EDAB O=C(CCc1cccs1)N1CCN(CC(=O)N2CCCC2)CC1 36383684 DMNCMPHEPVNCIX-UHFFFAOYSA-N 335.473 1.447 0 40 EDAB CCc1noc(CS(=O)(=O)CC(=O)Nc2ccccc2F)n1 36396064 PATYFJJCQPCFEK-UHFFFAOYSA-N 327.337 1.325 0 40 EDAB O=C1NCc2ccc(NC(=O)[C@H]3CCCN3c3nccs3)cc21 58749127 QGNWRIQWBFMMEI-CYBMUJFWSA-N 328.397 1.994 0 40 EDAB O[C@@H](COCc1ccccc1)CN1CCN(CC2CCOCC2)CC1 77176276 FVMYWNVZNAURBC-HXUWFJFHSA-N 348.487 1.608 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)[C@@H]3CCCCN3C2=O)c1 48361506 XQCBQFGHSBSMDN-GJZGRUSLSA-N 332.400 1.860 0 40 EDAB O=C(NCCN1C(=O)CCC1=O)c1cc(Br)ccc1F 78703229 ACEBIUDAOIRZLK-UHFFFAOYSA-N 343.152 1.467 0 40 EDAB COC(=O)c1ccoc1COC(=O)Cn1c(=O)oc2ccccc21 22473460 UMRXLBDXXITQOO-UHFFFAOYSA-N 331.280 1.718 0 40 EDAB CCCOc1ccc(C(=O)OCC(=O)NC(=O)NC)cc1OCC 3550550 VTUWNWVWNYXADZ-UHFFFAOYSA-N 338.360 1.487 0 40 EDAB CC(C)CCC[C@H](C)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 12908493 ZGGPOTBAFVTCDV-LBPRGKRZSA-N 346.431 1.577 0 40 EDAB COc1cc(/C=C/C(=O)N2CCC[C@H](C(=O)O)C2)cc2c1OCCO2 13260694 SXRKDPYVNREJHX-IHVVCDCBSA-N 347.367 1.803 0 40 EDAB COC[C@H](C)NC(=O)COc1ccc(C(=O)O)cc1Br 13231615 GLCGUGBOQSGCGQ-QMMMGPOBSA-N 346.177 1.677 0 40 EDAB CCOC(=O)[C@@]1(NC(=O)CCN2CCOC2=O)CCc2ccccc21 70990354 OUDDNNDHBWLBNQ-GOSISDBHSA-N 346.383 1.350 0 40 EDAB O=S(=O)(NCCN1CCOCC1)c1cccc(C(F)(F)F)c1 19878763 XKNCFCHRZQHZOY-UHFFFAOYSA-N 338.351 1.316 0 40 EDAB CSc1cccc(NC(=O)[C@H]2CC(O)=Nc3[nH]c(=O)[nH]c(=O)c32)c1 49547376 SVUHBFTUOIQAOA-VIFPVBQESA-N 346.368 1.499 0 40 EDAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)N1CCCC1)O2 64988372 ZLPVAEWIYCASMU-HNNXBMFYSA-N 338.429 1.535 0 40 EDAB CCN1C(=S)N(c2ccccc2Cl)[C@@H]2CS(=O)(=O)C[C@@H]21 13734361 CXNBRJMFMQGCSA-NWDGAFQWSA-N 330.862 1.932 0 40 EDAB COC(=O)C1CCN(C(=O)COc2ccc(NC(C)=O)cc2)CC1 4349718 GUJRCAIEBJIODB-UHFFFAOYSA-N 334.372 1.435 0 40 EDAB CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)c3ncccc23)CC1 65393043 BNHGLCXMEAKFCS-UHFFFAOYSA-N 347.440 1.690 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CCc3ccccc32)CC1 65439537 KVKRIOVUTSHFJY-OAHLLOKOSA-N 337.445 1.397 0 40 EDAB CCN(CC)S(=O)(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 65593386 MSSMRAUDHFOOHJ-UHFFFAOYSA-N 349.497 1.810 0 40 EDAB CCc1nc(C(=O)N2CCN(C)CC2)nn1-c1ccccc1Cl 65520765 LBUYCZHWUALNFK-UHFFFAOYSA-N 333.823 1.871 0 40 EDAB COc1cc(C(=O)NCc2ccnc(N(C)C)c2)cc2c1OCCO2 65575096 TZKXIGIOSIOYOP-UHFFFAOYSA-N 343.383 1.857 0 40 EDAB O=C(NCCCNC(=O)c1cccs1)NCCCn1cccn1 65595669 AQPSAPGSPLNUON-UHFFFAOYSA-N 335.433 1.454 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)C)CC2)c(C)c1 14116302 HFDBMPHQEYUXRB-UHFFFAOYSA-N 339.461 1.728 0 40 EDAB Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1[nH]nc(C)c1C)C2=O 65607808 SRKZKGUDIUIGIR-UHFFFAOYSA-N 326.356 1.960 0 40 EDAB Cn1cc([C@H]2CCCN2CC(=O)NCCOc2cccc(F)c2)cn1 71797188 WGWRLUOTNLQMNO-QGZVFWFLSA-N 346.406 1.891 0 40 EDAB C[C@@H](NC(N)=O)C(=O)NC(C)(C)Cc1ccc(Br)cc1 66761890 FJJNYZYQZILUGI-SECBINFHSA-N 342.237 1.943 0 40 EDAB CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1ccc2nnn(C)c2c1 96013769 XQKKPUMHSWQQBF-UHFFFAOYSA-N 343.309 1.061 0 40 EDAB O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1[nH]nc2c1CCCC2 96010890 QCQPAARWNPIWFR-OAHLLOKOSA-N 339.399 1.609 0 40 EDAB Cc1cc(C(=O)OCC(=O)N2CCNC2=O)c(C)n1Cc1ccco1 7626346 ISAWGYFRYBVVGJ-UHFFFAOYSA-N 345.355 1.455 0 40 EDAB COCC(=O)Nc1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1 68518671 WQUJCVMURMXUCW-UHFFFAOYSA-N 336.369 1.711 0 40 EDAB Cc1ccsc1-c1nnc(NC(=O)CCNC(=O)[C@@H]2C[C@H]2C)[nH]1 69388447 JOOWBJBLAJCJSE-NXEZZACHSA-N 333.417 1.942 0 40 EDAB COC(=O)C1CCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 8471145 YWYLFDOGYUDZFX-VIFPVBQESA-N 339.417 1.059 0 40 EDAB O=C1CN(Cc2occc2C(=O)NCCc2ccc(F)cc2)CCN1 69589853 RKIJZOVWDHEYAX-UHFFFAOYSA-N 345.374 1.323 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCN(C(=O)Cc2ccccn2)CC1 69587358 PQIAFIHYURBZKG-UHFFFAOYSA-N 341.386 1.677 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)nc2)cc1 69654711 GTGQXYYDAZBIAA-UHFFFAOYSA-N 325.777 1.895 0 40 EDAB CC(=O)Nc1ccc(/C=C/C(=O)N2CCNC(=O)[C@@H]2C(C)C)cc1 69704556 QJUIWVJJTOQAQT-NADMHLTPSA-N 329.400 1.641 0 40 EDAB CCc1nc(CN2CCCN(C(=O)[C@H](C)n3cncn3)CC2)cs1 69878745 BKZYAVXPLVGTMZ-ZDUSSCGKSA-N 348.476 1.593 0 40 EDAB CCc1ccc(C(=O)CCC(=O)N[C@H](C)CS(C)(=O)=O)cc1 69874167 RBJXUBDRTBAQTD-GFCCVEGCSA-N 325.430 1.761 0 40 EDAB Cc1nc(CN2CCC[C@H](NCC[S@@](=O)c3ccccc3)C2)no1 69842392 MHEMPUSSLIMNDR-OWJWWREXSA-N 348.472 1.740 0 40 EDAB CCn1ccnc1CN1CCN(Cc2cccc3c2OCCO3)CC1 69870850 SCUPHUMNOMLLHQ-UHFFFAOYSA-N 342.443 1.992 0 40 EDAB C[C@H](NC(=O)CNC[C@H]1CCCN1c1cccnn1)c1ccccc1 71859846 ASIRMQAVKVQNMD-DOTOQJQBSA-N 339.443 1.912 0 40 EDAB CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccnc1 71889599 CPJBOHZKBHDZST-KRWDZBQOSA-N 325.412 1.830 0 40 EDAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)C(=O)Nc1ccccc1 83722415 UBRUTAOJOIQXDG-FZMZJTMJSA-N 342.403 1.748 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 83829934 KSMSDGWMDXLIBI-MRXNPFEDSA-N 340.427 1.998 0 40 EDAB c1ccc2[nH]c(N3CCCN(c4ncnc5nc[nH]c45)CC3)nc2c1 72302101 RLLBQTNWJPZOPC-UHFFFAOYSA-N 334.387 1.946 0 40 EDAB CCCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(N(C)C)c2)n1N 71914314 FGNONBXPUALGRB-LLVKDONJSA-N 348.476 1.732 0 40 EDAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCCO2)N1C(=O)CCC1=O 84651777 YCWOFNDYLJBAMA-NEPJUHHUSA-N 346.383 1.563 0 40 EDAB CCCN(Cc1cnn(C)c1)C(=O)c1cccc2c1oc(=O)n2C 95441746 MLZIWOTZWWWGJF-UHFFFAOYSA-N 328.372 1.917 0 40 EDAB Cc1cccc([C@H](C)[S@@](=O)CC(=O)N2CCC[C@H](C(N)=O)C2)c1 95414481 WCZLFVIXZABCAA-VXOUBLIBSA-N 336.457 1.529 0 40 EDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cn1ncc3ccccc31)CC2 95400583 NVUZQPLGFDRSAM-IRXDYDNUSA-N 343.427 1.815 0 40 EDAB Cc1cc(CNc2cnn(C)c(=O)c2Cl)ccc1S(C)(=O)=O 95413026 GGCTXKWJHRUFNK-UHFFFAOYSA-N 341.820 1.758 0 40 EDAB CNC(=O)[C@@H](C)NC(=O)Cc1cccc(I)c1 95966127 NPBKUUKKKWYMBX-MRVPVSSYSA-N 346.168 1.084 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N1CCO[C@H](Cc2ccccc2)C1 95988883 XLJPKFVAFQVXGB-GOEBONIOSA-N 329.404 1.320 0 40 EDAB COC(=O)N1CCC[C@H](NC2CCN(Cc3cccnc3)CC2)C1 95967616 ZRWHNSBNGUFYLW-KRWDZBQOSA-N 332.448 1.866 0 40 EDAB COc1ccc(CN(C)[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 95962683 VMBOQVNRYFJQLE-MRXNPFEDSA-N 328.416 1.974 0 40 EDAB Cn1cc(NC(=O)N2CCN(Cc3cscn3)CC2)ccc1=O 95955742 JOBXBUUTAUZHOJ-UHFFFAOYSA-N 333.417 1.192 0 40 EDAB CC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@@H]1c1ccccc1 74285084 WZWILWPGLXIYCQ-ZBFHGGJFSA-N 338.473 1.920 0 40 EDAB COc1ccc2nc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)sc2c1 74753336 CPNKBBUWFOTZSN-MRVPVSSYSA-N 341.414 1.614 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=O)CN2[C@H](C)COC[C@H]2C)c(C)c1 75145440 DBJLTGJVXHTJOU-HZPDHXFCSA-N 347.459 1.776 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 89621592 KPOFMVCBFNMMSU-ZDUSSCGKSA-N 334.388 1.717 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)no1 89600946 WTSJYNOZXOYUBJ-SJORKVTESA-N 327.384 1.708 0 40 EDAB C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1nnc2n1CCCC2 89913852 HYIMCBXHPADEHX-ZJUUUORDSA-N 331.342 1.428 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C[C@H]1N(C)C 89948471 YWSSMPOUMZNNIE-DGCLKSJQSA-N 345.365 1.666 0 40 EDAB Cc1cc(C(=O)N[C@H](C(=O)O)c2ccnn2C)c(C)n1[C@H]1CCOC1 1548453673 WHYKVIALFWJSEO-WFASDCNBSA-N 346.387 1.356 0 40 EDAB COCCCNc1c(NCCc2c[nH]c3ccccc23)c(=O)c1=O 100793624 ZQCJYPQIVWJQCE-UHFFFAOYSA-N 327.384 1.867 0 40 EDAB biogenic COc1ccccc1CNC(=O)C(=O)NC[C@@H](O)c1ccsc1 56906462 STRFTHUNDQATIT-CYBMUJFWSA-N 334.397 1.223 0 40 EDAB COc1cc(C)c(S(=O)(=O)NC[C@H](C(=O)O)C(C)C)cc1C 548592104 FZDIQCVPMNGYJO-LBPRGKRZSA-N 329.418 1.947 0 40 EDAB Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc(C(N)=O)c1 529113745 FGBBOTKEIKLJEX-XXAQJILISA-N 335.429 1.611 0 40 EDAB CC(C)OCCS(=O)(=O)N1CCO[C@@H](Cc2ccccc2)C1 183422330 DWBCJJYNUCILAC-INIZCTEOSA-N 327.446 1.685 0 40 EDAB COc1cccc(OS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 32755119 AEXIVDLSMVATHD-UHFFFAOYSA-N 335.337 1.908 0 40 EDAB N[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218488992 KWSKWCXUZRABRJ-JYJNAYRXSA-N 337.828 1.970 0 40 EDAB CCN(CC(=O)N[C@@H](C)COC)S(=O)(=O)c1ccc(C)cc1 39985964 HBSFEKLMWBPXAB-ZDUSSCGKSA-N 328.434 1.157 0 40 EDAB COc1cccc(CC(=O)N2CCCN(c3cccnn3)CC2)n1 187107750 BFEYLZCOIUIJKI-UHFFFAOYSA-N 327.388 1.162 0 40 EDAB CSC[C@H](C)C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 74064610 SHIGJKJXFWSVBD-VIFPVBQESA-N 326.384 1.903 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2F)C1 78602775 BBLJOLNHETTWTI-CYBMUJFWSA-N 337.395 1.300 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218047942 OOZWHILKDKLSDA-XYJFISCASA-N 345.420 1.964 0 40 EDAB O=C(NCC[C@@H]1CCN(C(=O)c2nc[nH]c3nccc2-3)C1)C(F)F 1059968122 WTBAEHDPJHCXFC-SECBINFHSA-N 337.330 1.143 0 40 EDAB Cn1ncc(C(=O)NC[C@](C)(O)c2ccsc2)c1-n1cccc1 80891935 QYYJUCYJOZUHBL-INIZCTEOSA-N 330.413 1.910 0 40 EDAB O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(C3CCOCC3)CCN12 85436185 UDQKLFNSOHJWTJ-QGZVFWFLSA-N 333.407 1.927 0 40 EDAB biogenic,in-vitro COc1cccc(/C=C/C(=O)N[C@H](C)CN2CCOCC2)c1OC 40534362 TWSBFCMZIQQMNR-HSBSLETESA-N 334.416 1.554 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCC(Cc2ccc(F)cc2)CC1 83605253 YSWMEGGJMGJRGQ-UHFFFAOYSA-N 328.409 1.156 0 40 EDAB Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCN3c2ncccn2)c1 96064052 XJGXWKYNMGHQQE-JKSUJKDBSA-N 344.440 1.827 0 40 EDAB O=C(c1cnccn1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 96110654 RNVPWLOUXVSQCI-GASCZTMLSA-N 326.375 1.820 0 40 EDAB Cn1cc(N2CC[C@]3(CCCN(Cc4cccn4C)C3)C2=O)cn1 96074088 HKJJDDBRLBDFFV-SFHVURJKSA-N 327.432 1.778 0 40 EDAB CS(=O)(=O)NC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21 96112478 SJOFOHNYUPBTMW-VIFPVBQESA-N 349.334 1.676 0 40 EDAB biogenic,in-vitro O=C(c1ccccn1)N1CCC2(CC[C@H](C(=O)N3CCCC3)O2)CC1 96061258 XHMFDFFWRAAUCJ-MRXNPFEDSA-N 343.427 1.858 0 40 EDAB O=C([C@@H]1CCOC1)N1CCN(Cc2cccnc2)c2ncccc2C1 96198952 MAJGECNGKDVYJD-QGZVFWFLSA-N 338.411 1.862 0 40 EDAB O=C(NCc1cnc2n1CCN(Cc1ccoc1)CC2)C1CCC1 96197059 VUJHDLWCDVUMJW-UHFFFAOYSA-N 328.416 1.951 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 96486989 XEHSLKREIMIZME-PRHODGIISA-N 329.187 1.823 0 40 EDAB COC[C@H]1CC2(CCN(C(=O)c3cccnc3OC)CC2)CN1C 96208263 ZDQMROKGQOYNNM-CQSZACIVSA-N 333.432 1.663 0 40 EDAB Cn1cc(CCCNC(=O)c2cc(N3CCNC3=O)ccc2F)cn1 96414393 LDDKSMYXTFISSX-UHFFFAOYSA-N 345.378 1.451 0 40 EDAB Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2ccco2)cn1 96200950 AHVJGYTYBYMGCA-MSOLQXFVSA-N 330.432 1.531 0 40 EDAB CNC(=O)NC(=O)CN1CCc2c(Br)ccc(F)c2C1 96502773 PQMYKBXUSYSHDH-UHFFFAOYSA-N 344.184 1.402 0 40 EDAB O=C(NCC1CC1)[C@H]1CN(Cc2ccccn2)CC12CCOCC2 96052137 FWKFZIIUPXKJFG-QGZVFWFLSA-N 329.444 1.836 0 40 EDAB COc1c(Br)c(C(=O)NCc2cccnc2)nn1C 96181044 GVPZRZWCNMHIPO-UHFFFAOYSA-N 325.166 1.516 0 40 EDAB Cn1nnnc1SCc1cn(-c2ccc(F)c(Cl)c2)nn1 96501451 BDTFDXJQUKQVAP-UHFFFAOYSA-N 325.760 1.876 0 40 EDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2cccnc2)C1)N1CCCCO1 96057679 GLVVXYFJKAAEIH-ARFHVFGLSA-N 345.399 1.255 0 40 EDAB CS(=O)(=O)NC[C@H]1CCC2(CN(Cc3cccs3)C2)OC1 247546722 UTAPYBIPDRRARF-GFCCVEGCSA-N 330.475 1.278 0 40 EDAB C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@]1(C)Cc1ccccc1 249047931 WQZPUHSYLGRWNU-RHSMWYFYSA-N 338.473 1.890 0 40 EDAB CN(C)CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1 243857154 RHAHKFSRVKVVPF-UHFFFAOYSA-N 339.461 1.153 0 40 EDAB CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2cscn2)C[C@H]1O 257297383 RGZLXHDHCAKGQT-HUUCEWRRSA-N 335.404 1.600 0 40 EDAB COCc1ccc(C(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 42312118 UQKQURQVQYBTAG-UHFFFAOYSA-N 348.380 1.051 0 40 EDAB Cc1ncccc1C(=O)N1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1 257294514 QUMXLDMHDOCCNC-HZPDHXFCSA-N 342.351 1.353 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCO)[C@@H]1c1cccc(OC)c1 257247980 JBMHSXLXDAOMIH-WBVHZDCISA-N 334.416 1.446 0 40 EDAB CNC(=O)OC[C@H]1CCCCN1C(=O)c1cccc(-n2ccnc2)n1 585084009 TTYSVNQSRCXGHH-CYBMUJFWSA-N 343.387 1.618 0 40 EDAB CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2cc(=O)cc[nH]2)cc1 585088375 YRPHFAGTRJNUEC-UHFFFAOYSA-N 341.411 1.719 0 40 EDAB O=C(CC1(O)CCCCC1)NC[C@]1(O)CCCN(c2ccccn2)C1 257303044 SFNXHIFQVZTHOD-LJQANCHMSA-N 347.459 1.614 0 40 EDAB CCC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2nccc(N)n2)c1 585137496 BRPFNIDEGCHAFQ-SNVBAGLBSA-N 334.401 1.691 0 40 EDAB Cc1nc2cc(NC(=O)Nc3nccs3)ccc2n1C(CO)CO 585119900 ZIFHUMFZLKJTCO-UHFFFAOYSA-N 347.400 1.971 0 40 EDAB CS(=O)(=O)N1CCN(c2cnc3cc(Cl)ccc3n2)CC1 623818885 HDUXOGCDYWKLCL-UHFFFAOYSA-N 326.809 1.365 0 40 EDAB COc1cccc2cc(C(=O)N[C@@H]3CCc4n[nH]c(=O)cc4C3)oc12 252536187 HUUXYVHBVLILSB-GFCCVEGCSA-N 339.351 1.812 0 40 EDAB O=C1CCCCN1C[C@@H]1CCC2(CN(C(=O)c3cnccn3)C2)OC1 575405424 HXQCVCLJSJEEMC-AWEZNQCLSA-N 344.415 1.110 0 40 EDAB COCc1nnc2n1CCN(Cc1cc(OC)cc(OC)c1)[C@@H](C)C2 585097489 KKPNYQNYGXPOLY-ZDUSSCGKSA-N 346.431 1.889 0 40 EDAB CN(C)c1cccc(CC[C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 585178906 LGJCIFLCPRXFFQ-HNNXBMFYSA-N 340.493 1.741 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)CCN2CCCC2=O)C1 585275395 AHRVQYNFIBXFPF-IBGZPJMESA-N 346.427 1.350 0 40 EDAB CC[C@H](C)Oc1cc(CNC(=O)N2CCO[C@H](C(=O)O)C2)ccn1 666539981 CPWMUFYOARZCRW-AAEUAGOBSA-N 337.376 1.254 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 44227178 MKGHOLSNUZAIJR-ZDUSSCGKSA-N 338.429 1.090 0 40 EDAB CC[C@@H](CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 61745264 YVPZAIONENZLIO-HOCLYGCPSA-N 338.473 1.415 0 40 EDAB CCONC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 69516826 VFPAONIGUKGPTA-UHFFFAOYSA-N 332.447 1.850 0 40 EDAB O=C(N1CC(OC[C@H]2CCOC2)C1)C1(c2ccccc2)CCOCC1 1565522715 XRIPAJQQVVXFHE-INIZCTEOSA-N 345.439 1.999 0 40 EDAB NC(=O)C[C@@H](NC(=O)Nc1nc(-c2cccnc2)cs1)C1CC1 75109240 NLJISMDRWXLSQF-LLVKDONJSA-N 331.401 1.981 0 40 EDAB Cn1ccnc1S(=O)(=O)[C@H](C(=O)N1CCCCC1)c1ccccc1 78758608 QZHNPLFUHXITJH-HNNXBMFYSA-N 347.440 1.948 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@@H](c3cc4cccnc4c(=O)[nH]3)C2)n1 19290926 PKEXNOXHAJZKGW-CYBMUJFWSA-N 337.383 1.676 0 40 EDAB CC1(C)OC(=O)C[C@@H]1C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19460463 DMAPTFUBGTZCKK-OCCSQVGLSA-N 344.415 1.128 0 40 EDAB COc1cccc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)c1 19565441 JMFKXSZAMJJTLG-UHFFFAOYSA-N 349.394 1.794 0 40 EDAB Cc1cc(C)nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)n1 1888843594 FIVNQMZYAGNZQS-UHFFFAOYSA-N 329.404 1.489 0 40 EDAB Cc1cc(C(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)nn1C 1888853255 GYBZTARHFHTPDD-ZDUSSCGKSA-N 341.415 1.937 0 40 EDAB Cn1ncnc1CN1CC[C@@H](Cc2nc(-c3ccncc3)no2)C1 1888875899 DCUHKBYAVVOYMJ-LBPRGKRZSA-N 325.376 1.325 0 40 EDAB COC1(CNC(=O)Nc2cccs2)CCN(S(C)(=O)=O)CC1 1889184615 IRBQJWGBNPCDGO-UHFFFAOYSA-N 347.462 1.310 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(Cc2ccc(Br)cc2)C1 41621219 KIVQHCNRQRJOQS-ZDUSSCGKSA-N 347.278 1.963 0 40 EDAB O=C(CCc1ccc[nH]1)N1C[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 1565544486 IKDWFDXOVWFMMM-GOEBONIOSA-N 341.415 1.101 0 40 EDAB CNC(=O)Cn1nc(-c2ccc(OC)cc2)c2sc(C)nc2c1=O 8955427 GMAFVJNJBORLQC-UHFFFAOYSA-N 344.396 1.583 0 40 EDAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc1C 9822543 QXOMLPQGKKYBGO-OAHLLOKOSA-N 346.408 1.609 0 40 EDAB COc1cccc(CN2CCC[C@@](C(=O)N(C)C)(n3ccnc3)C2)c1 2055771818 AZNFJADMHMSEHX-LJQANCHMSA-N 342.443 1.971 0 40 EDAB Cn1cc(CN2CC[C@@H]3OCC[C@H](C(=O)NCC4CC4)[C@H]3C2)cn1 503850686 PMRNPGAMLFFSGX-BBWFWOEESA-N 332.448 1.173 0 40 EDAB C[C@H](C(=O)NCc1cccnc1N(C)C)n1nc2c(cc1=O)CCC2 585150587 VOTPSWPBQVSQHL-GFCCVEGCSA-N 341.415 1.070 0 40 EDAB O=C([C@@H]1CCc2ccccc2O1)N1CCN(c2cccnc2)C(=O)C1 618256231 FKAMWMHULZPJEP-KRWDZBQOSA-N 337.379 1.651 0 40 EDAB Cc1nnc2ccc(N3C[C@H]4CN(c5ccc(F)cn5)C[C@@H]4C3)nn12 2298054329 KHQCNIJPSWFVBH-CHWSQXEVSA-N 339.378 1.539 0 40 EDAB COc1ccc2o/c(=N\c3ccccc3C(N)=O)c(C(N)=O)cc2c1 176113 FQAOKUKZIXWBLP-UZYVYHOESA-N 337.335 1.872 0 40 EDAB C=CC(=O)Nc1ccc(C(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 81580645 TYGFBSYPXVUMRY-CQSZACIVSA-N 325.372 1.976 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(C[C@H](O)c2ccco2)CC1 85436748 SGJPPDTWXWVIQX-WBVHZDCISA-N 344.411 1.925 0 40 EDAB O=C(Cc1ccc2c(c1)CCCC2)NCCN1C(=O)CSC1=O 40554753 KTMXYDGTJVKCLI-UHFFFAOYSA-N 332.425 1.920 0 40 EDAB CCOC(=O)c1ccc(NC(=O)COc2c(C)[nH]ccc2=O)cc1 40284720 RTYZBBGSLBABGS-UHFFFAOYSA-N 330.340 1.878 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)Nc1nnc(C(F)(F)F)[nH]1 50603829 GGXBLVONPPLTLN-UHFFFAOYSA-N 344.278 1.234 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)cc1 40474128 ADENRFGFXQAESY-OAHLLOKOSA-N 346.408 1.848 0 40 EDAB CN(C)C(=O)C1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC1 40477456 GFHFCJZJDMPVFA-UHFFFAOYSA-N 348.378 1.400 0 40 EDAB Cc1c(C(=O)NCCCn2cncn2)[nH]c2c1C(=O)CC(C)(C)C2 31443218 OPJLFVFYFMMEFL-UHFFFAOYSA-N 329.404 1.890 0 40 EDAB CCCNC(=O)NC(=O)CN(CCC(=O)OC)Cc1ccccc1 50962308 MRZCPOHYBQQCMB-UHFFFAOYSA-N 335.404 1.288 0 40 EDAB COc1ccc(N2C[C@H](C(=O)Nc3cc(C)nn3C)CC2=O)cc1 40512288 TYNZUUAQIAYARS-GFCCVEGCSA-N 328.372 1.729 0 40 EDAB O=C(COc1ccc(F)cc1)NC[C@H](c1ccco1)N1CCOCC1 20622318 KASJKPLZNLUUDL-MRXNPFEDSA-N 348.374 1.987 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)cc1 250696 QOYAKTUUIMULGW-UHFFFAOYSA-N 340.445 1.621 0 40 EDAB COCCN(CCC(=O)OC)C(=O)[C@]1(C)Cc2ccccc2C(=O)O1 69848738 IBJILUMZGNDXPB-SFHVURJKSA-N 349.383 1.196 0 40 EDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)N1CCc2ccccc21 69922067 BAEAXPYVDPTBGK-OAHLLOKOSA-N 325.416 1.579 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N1CCC(C(=O)NC)CC1)=C2 60500386 GZDAJRBKNNURLV-UHFFFAOYSA-N 344.411 1.846 0 40 EDAB O=C1CCC(C(=O)N2CCO[C@@H]3CCC[C@H]32)=NN1c1ccccc1 71822654 KTUVCCIPFMUULY-HZPDHXFCSA-N 327.384 1.949 0 40 EDAB O=CN1CCN(c2nc(NC[C@H]3CCCO3)c3ccccc3n2)CC1 41151707 NTUWMLLNQRLREQ-CQSZACIVSA-N 341.415 1.499 0 40 EDAB COC(=O)c1nc2n(n1)[C@@H](c1ccc(OC)cc1)C=C(C(=O)O)N2 102742023 RNWJRLZKMVKWJZ-LLVKDONJSA-N 330.300 1.057 0 40 EDAB CN1C(=O)C(Br)=C(Br)[C@]1(O)c1cccnc1 4822610 KTXPVEPIXXSNIM-SNVBAGLBSA-N 347.994 1.700 0 40 EDAB Cc1nn([C@@H](C)C(=O)N(C)Cc2cnn(C)c2)cc1Br 2777642 PMNOUQMPONQZKC-JTQLQIEISA-N 340.225 1.907 0 40 EDAB O=C1C[C@@H]2[C@H](CCN2Cc2ccc(F)cc2)N1CCN1CCOCC1 107198504 DZSQHQJCMDKEMK-ZWKOTPCHSA-N 347.434 1.333 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](c1ccccc1)c1cccs1 12272195 VMXZSSKPPMBWNL-MRXNPFEDSA-N 341.392 1.504 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)CC3CCCC3)CC2)no1 71881425 UFKWRPIXLSKYJV-UHFFFAOYSA-N 334.420 1.646 0 40 EDAB Cc1c([C@H](C)NC(=O)N2CCN(Cc3cccnc3)CC2)cnn1C 47005215 ZQWVLQVQAOUEFT-AWEZNQCLSA-N 342.447 1.712 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N2CCCN(c3nccs3)CC2)C1 71830808 QYEZRMPULFCDSA-CQSZACIVSA-N 336.461 1.440 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CCN(c2ccccc2)C1 71882856 JIESYKGDMYZYIN-CQSZACIVSA-N 336.457 1.739 0 40 EDAB O=C(CNc1nc2ccccc2s1)N[C@H]1CCS(=O)(=O)C1 47304991 SFRVEQZWQDLNRY-VIFPVBQESA-N 325.415 1.012 0 40 EDAB CC(=O)N1CCCN(c2ncnc3c2cnn3-c2ccccc2)CC1 54448897 XXJJJGHOVFIPBW-UHFFFAOYSA-N 336.399 1.874 0 40 EDAB CCOC[C@H](O)CN1CCN(c2ccnc(-c3ccccc3)n2)CC1 105795407 FKESRYOAOQHXDF-QGZVFWFLSA-N 342.443 1.663 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@H](c1ccco1)N1CCCCC1 47777775 VHKVTIZUBCASBS-CQSZACIVSA-N 346.435 1.917 0 40 EDAB Cc1csc(=O)n1CCC(=O)N1CCN(C(=O)c2ccoc2)CC1 25238250 PXGJVNQXHGWJKB-UHFFFAOYSA-N 349.412 1.186 0 40 EDAB C[C@H]1CN(Cc2ccc(CNC(=O)[C@H]3CCC(=O)N3)cc2)C[C@@H](C)O1 107490458 CXIHZAZYKIBPGV-JKIFEVAISA-N 345.443 1.191 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)N(C)C1CCCCC1 26398486 AZEQAEPULHKKNK-UHFFFAOYSA-N 343.449 1.703 0 40 EDAB Cc1cc(CN(C)C(=O)NCc2ccc(N3CCOCC3)nc2)no1 27353814 WIDMLULXDWCTMU-UHFFFAOYSA-N 345.403 1.556 0 40 EDAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ncccc2C)n1 27666290 HZZUUFZOXSCUMY-UHFFFAOYSA-N 340.792 1.879 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)CN3CCC(O)CC3)cc2)C[C@H](C)O1 58209389 OHFTYMOIWKZIDO-GJZGRUSLSA-N 347.459 1.695 0 40 EDAB CCc1nnc(NC(=O)CSC(=S)N2CCOCC2)s1 2141316 YFARKTZSMBMJDL-UHFFFAOYSA-N 332.476 1.389 0 40 EDAB CNC(=O)C1CCN(C(=O)c2nn(-c3ccccc3)cc2OC)CC1 48261677 LTDPGUHTUVUERA-UHFFFAOYSA-N 342.399 1.479 0 40 EDAB COCCNC(=O)[C@H](C)S(=O)(=O)c1c(Cl)cccc1Cl 44947746 KELTWOFMHOLZIK-QMMMGPOBSA-N 340.228 1.918 0 40 EDAB CNC(=O)C1(NC(=O)c2ccc(N3CCOCC3)cc2)CCCCC1 58378717 CUVRCMDDRLAVOT-UHFFFAOYSA-N 345.443 1.702 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)N[C@H]3CCc4ccccc43)cnc21 11173768 KKHIBBDTVCKJFM-HNNXBMFYSA-N 337.383 1.324 0 40 EDAB NC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1 61971840 FENKYKMAJSEWLI-UHFFFAOYSA-N 343.427 1.263 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)NC1CCN(c2ncccn2)CC1 45711104 PKTPUJCPNUBCAY-AWEZNQCLSA-N 333.436 1.513 0 40 EDAB Cc1c(C(=O)N[C@@H]2CCc3nnc(C)n3C2)cnn1-c1ccccn1 62640063 MYBOVUBRPCUWQU-CYBMUJFWSA-N 337.387 1.220 0 40 EDAB CC(C)n1nc(C(=O)N2CCC(C(=O)O)CC2)c2ccccc2c1=O 13167331 NHSNDCKTQPJUKA-UHFFFAOYSA-N 343.383 1.914 0 40 EDAB COC(=O)c1ccc(NC(=O)COC(=O)c2cnn(C)c2C)cc1 13296853 PEIGNSNRPBRCSQ-UHFFFAOYSA-N 331.328 1.311 0 40 EDAB CC(C)Oc1ccc(CNC(=O)NC[C@H](C)N2CCOCC2)cn1 49130181 OWJKMEOFWKMDBJ-AWEZNQCLSA-N 336.436 1.389 0 40 EDAB COC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 71924091 QVGPRESXVSHYPQ-OAHLLOKOSA-N 345.443 1.145 0 40 EDAB CON(C)C[C@H](O)Cn1cc(Nc2ncnc3cc(F)ccc23)cn1 71915173 WEEIWYDADBEXBH-ZDUSSCGKSA-N 346.366 1.563 0 40 EDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccn1 49545875 RAORKTZCAROFPI-UHFFFAOYSA-N 339.399 1.552 0 40 EDAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(N)=O 6049614 JICGFYICHPDSJT-GFCCVEGCSA-N 326.780 1.513 0 40 EDAB CC(C)(C)C(=O)NCC(=O)NCc1ccc(N2CCCC2=O)cc1 8938794 BTNRWIVRFVSTGG-UHFFFAOYSA-N 331.416 1.592 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@H](c1ccco1)N1CCCC1 65423178 NWPYKXXUKVYISM-CYBMUJFWSA-N 332.408 1.527 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1 65473381 WTFKPNWHYVDQAM-ZDUSSCGKSA-N 343.387 1.633 0 40 EDAB C[C@H](c1ccccc1F)N1CCN(CC(=O)NC(=O)NC2CC2)CC1 65591507 WMWVQYDXYGAKFB-CYBMUJFWSA-N 348.422 1.493 0 40 EDAB CC(C)NC(=O)[C@@H](C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 67488589 AVVTYIOHVOFRTH-SECBINFHSA-N 347.820 1.798 0 40 EDAB C[C@H](NC(=O)[C@@H](C)N(C)CC(=O)N1CCOCC1)c1ccccc1 14184286 LMSGBCQGJQWKHX-LSDHHAIUSA-N 333.432 1.043 0 40 EDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 4505401 IUTYFHPZOXRXRA-CYBMUJFWSA-N 331.459 1.501 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)NC[C@H]1COc2ccccc2O1 5631011 VGTDNXUTLOPSOH-AWEZNQCLSA-N 341.363 1.957 0 40 EDAB O=C(OCc1cc(=O)n2ccsc2n1)c1n[nH]c2ccccc12 4823022 BTVMUMWJEFTCQU-UHFFFAOYSA-N 326.337 1.989 0 40 EDAB CCNC(=O)NC(=O)CSc1nnc(C)n1-c1ccc(C)cc1 4835901 VBSOVFQXZLBTHJ-UHFFFAOYSA-N 333.417 1.822 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2cnc3cc(C(=O)O)ccc3c2=O)C1 15019921 OSMCYVFHLBBTBK-TXEJJXNPSA-N 343.383 1.599 0 40 EDAB COC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 15276490 RGSDRBMHTDALNV-RVSPLBMKSA-N 332.356 1.352 0 40 EDAB O=S(=O)(NC[C@H](O)C1CCCC1)c1ccc(C(F)(F)F)nc1 96007691 YEMIXJXASDUSSF-NSHDSACASA-N 338.351 1.930 0 40 EDAB CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Cl)s1 16091530 CRXPGQAVRSCXBN-UHFFFAOYSA-N 348.833 1.931 0 40 EDAB COCC(=O)Nc1nnc(CS(=O)(=O)c2ccccc2)s1 9355811 ZDNPCZVVABCTEO-UHFFFAOYSA-N 327.387 1.097 0 40 EDAB CS(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1 8023070 LEDXQNVSEOSDAP-AWEZNQCLSA-N 340.426 1.146 0 40 EDAB CN1CCO[C@@H](C(=O)N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)C1 81453370 LCOQMQBCHNQWNE-LLVKDONJSA-N 346.353 1.465 0 40 EDAB O=c1oc2ccccc2n1CCNCc1nnc2n1CCCCC2 69153636 CNJKGTMBYMZEII-UHFFFAOYSA-N 327.388 1.702 0 40 EDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2c(C)nn(C)c2C)c1 17070881 MZUKNIIMYTUXDI-UHFFFAOYSA-N 337.401 1.788 0 40 EDAB CCc1nsc(N2CCN(C(=O)COc3ccccc3)CC2)n1 96432233 BCSZYUMVCNLWKX-UHFFFAOYSA-N 332.429 1.828 0 40 EDAB C[C@]1(c2ccccn2)NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 69486868 DVAWFHVGHOKBFC-GOSISDBHSA-N 344.415 1.688 0 40 EDAB CC(C)N(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 69484997 LRVCOZQYKUIHJE-CYBMUJFWSA-N 344.864 1.858 0 40 EDAB CCc1noc([C@H](C)N2CCN(CC(=O)Nc3cccnc3)CC2)n1 69418330 KFIFCHVORMYEHM-ZDUSSCGKSA-N 344.419 1.344 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2C[C@H](O)COCc2ccco2)n1 69534811 LVCSCDUIMKLKPI-CVEARBPZSA-N 334.420 1.530 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1cccc(Br)c1 69580798 XWDMINVREZCXQA-BXKDBHETSA-N 325.206 1.951 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cn(-c2ccccc2Cl)nn1 69519777 MQKMQKBTTFUKCA-MNOVXSKESA-N 347.806 1.647 0 40 EDAB CCc1nc(CCNC(=O)c2ccccc2-n2cnnn2)sc1C 69531629 QNKNJIBYBLCEOB-UHFFFAOYSA-N 342.428 1.962 0 40 EDAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)C1 69570082 OVHDHJLBDOLUIK-PXAZEXFGSA-N 330.388 1.107 0 40 EDAB C[C@H]1CN([C@H](C(N)=O)c2ccccc2)CCN1Cc1nccn1C 69510963 OTGDYLRIWVJCHC-YOEHRIQHSA-N 327.432 1.153 0 40 EDAB COc1ccc(CNC(=O)NCCC(N)=O)cc1Br 69567401 WHRRBNUWAKMPMS-UHFFFAOYSA-N 330.182 1.132 0 40 EDAB O=C1COc2ccc(C(=O)N3CCC[C@@H](n4ccnc4)C3)cc2N1 69738223 FCMYGAVMBNVEJO-CYBMUJFWSA-N 326.356 1.691 0 40 EDAB O=S(=O)(CCCN[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 69739220 UMRYQKUSWXNVNK-CYBMUJFWSA-N 338.408 1.186 0 40 EDAB COc1cccc2cc(CNC(=O)N3CCC(C(N)=O)CC3)oc12 69704703 NVOZDWCPUJBOOX-UHFFFAOYSA-N 331.372 1.848 0 40 EDAB Cc1cc(NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)n(C)n1 69777508 XYMIPGXPBCHZEJ-LBPRGKRZSA-N 333.367 1.333 0 40 EDAB CCc1ccc(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)o1 71815179 GJXHRRMPRGHIEP-UHFFFAOYSA-N 332.356 1.645 0 40 EDAB Cc1nc([C@H]2CCCN2CCn2cnc3ccsc3c2=O)no1 72299832 WXRWNNACTREGCP-GFCCVEGCSA-N 331.401 1.987 0 40 EDAB CCn1nnnc1-c1cccc(NC(=O)c2c(C)cc(C)[nH]c2=O)c1 72291492 PDVDBXBNTQHZFJ-UHFFFAOYSA-N 338.371 1.917 0 40 EDAB CN1CCN(C(=O)c2ccc(CSc3nccn3C)o2)CC1=O 72293602 GTOLHKNKANZCML-UHFFFAOYSA-N 334.401 1.220 0 40 EDAB CC[C@@H](CO)N1CCN(C(=O)Cc2c(Cl)cccc2OC)CC1 97143287 FMBIBDFRPQMRCF-ZDUSSCGKSA-N 340.851 1.806 0 40 EDAB Cc1ccc2[nH]nc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c2c1 97285940 XWWZVOHBBRWPEV-UHFFFAOYSA-N 336.417 1.025 0 40 EDAB C[C@@H](C(=O)NCc1nnc2ccccn12)N1Cc2ccccc2C1=O 79484105 FDDIBDRYDPMQAJ-LBPRGKRZSA-N 335.367 1.390 0 40 EDAB COC(=O)CN1CCCN(Cc2cn(C)nc2-c2cccs2)CC1 95986576 UEZXZFRDYSZXDH-UHFFFAOYSA-N 348.472 1.829 0 40 EDAB O=C(N[C@@H]1CCC[C@H]1CO)c1cn(-c2cccc(Cl)c2F)nn1 95989166 CGBNUIRZSNSXQL-GXSJLCMTSA-N 338.770 1.951 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCC(C)(C)O 74480509 SYHLOAJUCXEZKY-HNNXBMFYSA-N 334.464 1.267 0 40 EDAB COC(=O)Nc1cccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)c1 75140504 VQONIMUYZSDRFA-AWEZNQCLSA-N 343.387 1.607 0 40 EDAB COCCCC(=O)NC1CCC(CN(C)C(=O)CCCOC)CC1 75139737 FBWKEFCUFOSLOK-UHFFFAOYSA-N 342.480 1.973 0 40 EDAB Cc1ccc(C(=O)NCCc2nccn2Cc2ccccc2)c(=O)[nH]1 75119192 ZXTWXUXNWKGZJJ-UHFFFAOYSA-N 336.395 1.901 0 40 EDAB Cc1nc(CNC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)no1 89718375 WOVPJUCEGMYTFT-JTQLQIEISA-N 336.783 1.505 0 40 EDAB O=C1CC[C@@H](NC(=O)Nc2ncc(-c3ccccc3)s2)C(=O)N1 89851263 ZRLSQUMQGXNBTF-SNVBAGLBSA-N 330.369 1.737 0 40 EDAB C[C@H](NC(=O)N[C@H](C)[C@@H]1CCCO1)c1ccc(S(N)(=O)=O)cc1 89904862 XSNZXCPQBXFMCW-WDMOLILDSA-N 341.433 1.262 0 40 EDAB CCc1nc(CNS(=O)(=O)c2cncc(F)c2)ccc1C(=O)O 548220666 HUKMQVPJLNBWTN-UHFFFAOYSA-N 339.348 1.355 0 40 EDAB Cc1cccc(C(=O)NCC(=O)N(C)CCc2ccccn2)c1O 171301973 KDZKLZZGWHVSEF-UHFFFAOYSA-N 327.384 1.527 0 40 EDAB COc1ccnc(N2CCN(C(=O)NCc3ccnc(C)n3)CC2)c1 171588490 LXQOKCCICGCGPE-UHFFFAOYSA-N 342.403 1.220 0 40 EDAB O=C1/C(=C/c2cccs2)N=C(S)N1CN1CCC[C@H](CO)C1 33493194 VJUNXPAQVWNAFR-HKMIMPICSA-N 337.470 1.879 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CC)ccc1OCC 408698515 QLQCAQWTCJNEAK-LLVKDONJSA-N 328.434 1.912 0 40 EDAB Cc1cc(C(=O)NC[C@@H]2CCCN2[C@@H]2CCN(C3CCC3)C2=O)no1 1027743580 LTQPHEILNLNWBS-GOEBONIOSA-N 346.431 1.331 0 40 EDAB CS(=O)(=O)N1CCC[C@H](Cc2cnc(Br)cn2)C1 72343550 QFYBBVFPXGKOIG-SECBINFHSA-N 334.239 1.453 0 40 EDAB O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cscn1 79048718 QFBKKAMFDRNJMH-CYBMUJFWSA-N 327.369 1.976 0 40 EDAB Cc1nccn1-c1cccc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 72378773 WNZUBFHCIXZQKG-CQSZACIVSA-N 335.433 1.519 0 40 EDAB CN(C)CCN(C(=O)c1cnc2ccccn2c1=O)C1CCCC1 78394517 MZIPUNAWMKYGEJ-UHFFFAOYSA-N 328.416 1.641 0 40 EDAB CCCn1c(CNC(=O)[C@@H]2CSCCC(=O)N2)nc2ccccc21 226753921 VXPQQHQVCSMPRW-ZDUSSCGKSA-N 346.456 1.684 0 40 EDAB CCOC(=O)c1cc(C(C)=O)nn(-c2cc(OC)ccc2OC)c1=O 225967644 VNFLFGUGTITFDZ-UHFFFAOYSA-N 346.339 1.629 0 40 EDAB O=C(NCCCn1ccnc1)c1ccc(O[C@@H]2CCSC2)nc1 225712889 HATQIRTWWZHNJN-CQSZACIVSA-N 332.429 1.983 0 40 EDAB COC1(CNC(=O)NC[C@H](O)c2cc(C)cc(C)c2)CCOCC1 225759128 BSTZPDBYVQFVFW-INIZCTEOSA-N 336.432 1.832 0 40 EDAB Cn1cc(CCN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)cn1 576486749 YAPTVUNBZVSXPT-IBGZPJMESA-N 338.411 1.919 0 40 EDAB O=C(O)c1ccc(CS(=O)(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc1 576515683 PPWNACNVNDHGIC-KGLIPLIRSA-N 325.386 1.325 0 40 EDAB CCOC[C@H]1C[C@]2(COCCN2C(=O)Cc2ccc(OC)cc2)CO1 96078591 UMGNMDCOWLLRLX-MJGOQNOKSA-N 349.427 1.661 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@]12CCN(c1ccsc1)C2=O 96201800 KOYSZJPKCVXYFL-PBFPGSCMSA-N 334.441 1.986 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)N1CCCC1)C2 96227452 QPQBSVGOVWZDLY-LPHOPBHVSA-N 342.443 1.968 0 40 EDAB Cc1nc([C@@H]2CCN(CC(=O)NCc3cccc(Cl)c3)C2)n[nH]1 578844285 UISRNIWKUDVRRY-CYBMUJFWSA-N 333.823 1.872 0 40 EDAB O=C(NC[C@@H]1Cn2nnc(-c3cccnc3)c2CO1)c1ccco1 96199234 PJXCWGMTPSCHML-GFCCVEGCSA-N 325.328 1.262 0 40 EDAB COCC(=O)N1CCC2(CC1)C[C@@H](COC)N(Cc1cccnc1)C2 96216097 UCLREFBSOGORHA-KRWDZBQOSA-N 347.459 1.558 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)C2 90168594 YFIZGDNIIVJWMS-SECBINFHSA-N 345.346 1.902 0 40 EDAB CC(C)c1cc(C(=O)NCC(=O)N(C)C)nc(N2CCCCCC2)n1 96192024 CUFVBJHEKRNEJX-UHFFFAOYSA-N 347.463 1.798 0 40 EDAB C[C@H]1CS(=O)(=O)CCN1Cc1nnc(-c2ccc(F)cc2)o1 96443428 RCPHLCIQQFRYPZ-JTQLQIEISA-N 325.365 1.495 0 40 EDAB O=C(NCc1cccc(Cn2cccn2)c1)N[C@@H](C(=O)O)C1CC1 580692497 GBLLYUFIKNQTAP-OAHLLOKOSA-N 328.372 1.594 0 40 EDAB CN1CCN(CC2CC2)C(=O)C12CCN(C(=O)CC(F)(F)F)CC2 96077170 ZEMJCMGFZDLOCD-UHFFFAOYSA-N 347.381 1.484 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(Cc3ccoc3)C[C@@H]2O1 96100364 FGKJRNNZOUISPR-INMHGKMJSA-N 329.400 1.637 0 40 EDAB COc1cc(N2CC[C@H]3OCC[C@@H](C(=O)NC(C)C)[C@H]3C2)ncn1 96043404 PMLRGFHOUPRPTB-MGPQQGTHSA-N 334.420 1.241 0 40 EDAB Cc1cc(F)c(S(=O)(=O)Nc2cncnc2N(C)C)cc1F 97375694 POOBZQDXGMWMJN-UHFFFAOYSA-N 328.344 1.930 0 40 EDAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(S(C)(=O)=O)C3)n1 247854049 BPIABEIAILKPJN-CQSZACIVSA-N 326.418 1.100 0 40 EDAB Cc1ccsc1CN1CC2(C[C@H](OCC(=O)N(C)C)CCO2)C1 247955924 CUZZPLRFBRPBLL-CQSZACIVSA-N 338.473 1.895 0 40 EDAB COc1ccc(CC(=O)N2CCO[C@@H](c3cccc(N)n3)C2)cc1 257285685 PIGRNDUFXQULNF-MRXNPFEDSA-N 327.384 1.815 0 40 EDAB CCn1ncc(S(=O)(=O)N2CC[C@H](OC)[C@]3(CCCO3)C2)c1C 257338444 YXLGABXWEMMVHF-GJZGRUSLSA-N 343.449 1.170 0 40 EDAB O=C(Cc1csc(-c2ccccc2)n1)N1CC(N2CCNC2=O)C1 585087617 VMODKFJBXZVQJT-UHFFFAOYSA-N 342.424 1.589 0 40 EDAB Cc1ccnn1CCC(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 257272647 NDGPKGOCVRAEAY-SFHVURJKSA-N 343.431 1.076 0 40 EDAB CC(C)C(=O)N[C@H]1CCN(Cc2ccc(Cl)cn2)CC[C@@H]1O 257310916 UHDXZLDMMHKRKT-GJZGRUSLSA-N 325.840 1.833 0 40 EDAB COc1ccccc1Cc1ccc(C(=O)N2CCNC(=O)C2)cn1 257297914 RJIBDGQCSIAUFD-UHFFFAOYSA-N 325.368 1.253 0 40 EDAB NS(=O)(=O)CCCCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 585137115 JESXLTREASWVIP-UWVGGRQHSA-N 345.387 1.475 0 40 EDAB O=C([C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N1CCCSCC1 585122017 KKBSRFSEDVUPBL-TZMCWYRMSA-N 349.374 1.763 0 40 EDAB COC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cn1 585136779 SEHVTEJGFTUMKC-LBPRGKRZSA-N 333.388 1.131 0 40 EDAB Cc1cc(CNC(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)no1 585121130 GRTKMWDEKUZMOB-BLLLJJGKSA-N 339.392 1.360 0 40 EDAB Cc1cc(C(=O)N2CC[C@@](O)(CN3CCCC3)C2)c2c(C)noc2n1 257321974 WEDCNHJVHRHZCU-GOSISDBHSA-N 344.415 1.512 0 40 EDAB CN([C@@H]1CCCN(c2ccccn2)C1)S(=O)(=O)c1cn(C)cn1 257343963 ZVCZDQGBTDWOAW-CYBMUJFWSA-N 335.433 1.105 0 40 EDAB COc1cccc(CNC(=O)c2cc(N3CCOCC3)ncn2)c1 252490182 KLGPLZPBJISUTR-UHFFFAOYSA-N 328.372 1.252 0 40 EDAB NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1c(F)cccc1F 257335478 YKHYFVXBFKDMLN-INIZCTEOSA-N 332.310 1.372 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2ccn3ccnc3n2)c1 257200363 ACZDCVCGIWAHTM-CYBMUJFWSA-N 346.416 1.379 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1c(C)noc1C)C2 253380760 BPJQYXOTUJOAEM-CYBMUJFWSA-N 328.434 1.317 0 40 EDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)C2CCOCC2)C3)n1 253480228 VPJLPUWNIYXDLU-HNNXBMFYSA-N 347.415 1.350 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2n[nH]c3ccccc23)n1 257218990 DFDZJQOQEDWJOV-AWEZNQCLSA-N 339.355 1.581 0 40 EDAB COc1ccccc1CN1CC[C@]1(CCCc1cnccn1)C(N)=O 257248001 JBPWAFWTXKUEQR-LJQANCHMSA-N 340.427 1.938 0 40 EDAB CC(C)N1CCN(c2ccc(B(O)OC(C)(C)C(C)(C)O)cc2)CC1 604934450 QJHZHNNKXYVPNN-UHFFFAOYSA-N 348.296 1.471 0 40 EDAB COc1ccc(C(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)cn1 257248855 JFMZVEWXLAEBNT-OAHLLOKOSA-N 342.399 1.541 0 40 EDAB CCO[C@@H]1C[C@](NC(=O)c2cnn3ccccc23)(C(=O)O)C1(C)C 262858087 YNNXZNUQVXEOSU-DYVFJYSZSA-N 331.372 1.723 0 40 EDAB C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1Cc1nnnn1CC1CCOCC1 1604652345 NFTDHUAVEJVGNN-DABQJJPHSA-N 337.424 1.173 0 40 EDAB CN1C(=O)NC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1=O 283869041 UUCBABKKFYKLKP-UHFFFAOYSA-N 328.294 1.621 0 40 EDAB O=C(COc1ccc2c(c1)CCCC2)N1CC(C2CS(=O)(=O)C2)C1 606445053 GJFWELFRWZYVCZ-UHFFFAOYSA-N 349.452 1.447 0 40 EDAB CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCCCc2cnoc2)C1 1615549672 RBYCUBRAGSATQA-CYBMUJFWSA-N 339.392 1.359 0 40 EDAB Cc1ccn2ncc(C(=O)NCC(C)(C)C3(O)CCOCC3)c2n1 1615549108 PFKKQOJEKDXOKA-UHFFFAOYSA-N 332.404 1.335 0 40 EDAB CC(C)(C(=O)O)C(=O)N1CCn2c(Cc3ccccc3F)nnc2C1 652083197 SXQCZZPCJDRNSE-UHFFFAOYSA-N 346.362 1.461 0 40 EDAB Cc1ccc(Oc2ccc(CN3[C@@H](C)[C@H](O)[C@H](O)[C@H]3CO)cn2)cc1 585295390 XSZRSZWTWKUHJI-KRDRHDLTSA-N 344.411 1.469 0 40 EDAB Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)c2cnc[nH]2)C1 585277854 YMDAVEPYKRUXDM-KRWDZBQOSA-N 331.372 1.001 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4ccnn4C)C[C@@H]3C2)cs1 585107604 OWGYRMUPUWZVNV-STQMWFEESA-N 331.445 1.389 0 40 EDAB C[C@@H]1CCCCN1CCNC(=O)Nc1ccc(-n2cncn2)nc1 48132025 FLZXZWSGHCQDOW-CYBMUJFWSA-N 329.408 1.658 0 40 EDAB CC[C@H](C)NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 49458079 KIFKNKSGKGKWKN-YFKPBYRVSA-N 341.252 1.686 0 40 EDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@H]3CN(C)CCO3)c12 69585095 ZMHPKWYEDSODBS-ZDUSSCGKSA-N 343.431 1.215 0 40 EDAB Cc1ccc(CCNC(=O)N2CCC(CN3CCNC3=O)CC2)cc1 1553195946 NDGOSLMGACJLFR-UHFFFAOYSA-N 344.459 1.984 0 40 EDAB O=C(OCc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1COCCO1 84572747 STVJOOKJSBGWEM-KRWDZBQOSA-N 328.368 1.820 0 40 EDAB COc1ccc(NC(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc1 96380206 KIDCNCYDPDHJBD-UHFFFAOYSA-N 326.418 1.982 0 40 EDAB CC(C)(C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1)c1cccnc1 563907552 FSEFCQPQOWERKU-OAHLLOKOSA-N 329.404 1.307 0 40 EDAB CCCN(C(=O)c1ccc2c(c1)CCCN2C)[C@@H]1COC[C@@H](O)[C@H]1O 1615106020 AJVVAHFOUVIOEN-KURKYZTESA-N 348.443 1.042 0 40 EDAB COc1cc([C@@H](C)NC(=O)c2cccnc2)ccc1S(C)(=O)=O 1615615193 LSCWUWZJAKTULA-LLVKDONJSA-N 334.397 1.985 0 40 EDAB CCOC(=O)[C@H]1CCCN(CCN2C(=O)c3ccccc3C2=O)C1 7461565 ISQORTUGLPUGRP-ZDUSSCGKSA-N 330.384 1.558 0 40 EDAB COC[C@@H](C)NC(=O)COC(=O)c1nn(-c2ccccc2)cc1OC 16289328 UHRBHPJOEZTCNC-GFCCVEGCSA-N 347.371 1.189 0 40 EDAB O=C(C[C@H]1C=CCC1)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19404447 MFAMTUZWEJBYPE-UONOGXRCSA-N 340.431 1.376 0 40 EDAB C[C@H]1Cc2cc([C@@H](O)CN3CCN(c4cnccn4)CC3)ccc2O1 19498056 CUYSGNLFFPOTSS-YOEHRIQHSA-N 340.427 1.656 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3ccccc3C)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526743 SEKYBLVOEUSLDW-WZTLGTBRSA-N 330.384 1.192 0 40 EDAB COc1cccc(-c2noc([C@@H](N)CCS(C)(=O)=O)n2)c1OC 169676232 JAKNQQMPWBLZMT-JTQLQIEISA-N 341.389 1.188 0 40 EDAB Cc1cccc(S(=O)(=O)CCCn2nc3cnccn3c2=O)c1 165117338 AWLXACZKBBEUBZ-UHFFFAOYSA-N 332.385 1.063 0 40 EDAB O=C(c1ccc(OC[C@H]2CCCO2)nc1)N1CCN(C2CCC2)CC1 390825776 AQUVUNAVXCNGPN-QGZVFWFLSA-N 345.443 1.950 0 40 EDAB C[C@H](Sc1nnnn1C1CC1)C(=O)NC(=O)NCc1ccccc1 16375920 JXNSTSFUAGWLPD-JTQLQIEISA-N 346.416 1.515 0 40 EDAB O=C([C@@H]1CN(c2nc(C(F)(F)F)cs2)CCO1)N1CCCC1 1889095560 YUUPSVSAUOBGSO-VIFPVBQESA-N 335.351 1.990 0 40 EDAB O=C([C@@H]1CCCN(c2ncnc3c2CCC3)C1)N1CCSCC1 1889096040 MOSRUHHVQHIFRV-CYBMUJFWSA-N 332.473 1.757 0 40 EDAB CC(C)c1nsc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)n1 1889108857 SGLKALKKPRTWQD-SNVBAGLBSA-N 330.479 1.712 0 40 EDAB CCN=c1ccnc(N2CCN(Cc3cccc(OC)c3)CC2)[nH]1 1889130262 KDRJVXAARDNVSP-UHFFFAOYSA-N 327.432 1.661 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNc2cn[nH]c(=O)c2Cl)cc1 30765553 JRZCWTZIBLFZFY-UHFFFAOYSA-N 342.808 1.085 0 40 EDAB CC(C)Cn1c(SCC(=O)NC2CC2)nc2ncccc2c1=O 32893318 BLGOQLHLGOLAKK-UHFFFAOYSA-N 332.429 1.818 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@H]1CC(=O)N(c2ccccc2)C1 32817020 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O=C(CCc1nc(-c2ccncc2)no1)NCCc1nccs1 50451102 GMEHOBOQMZJJFN-UHFFFAOYSA-N 329.385 1.880 0 40 EDAB Cc1ccc(OC[C@H](O)CN(C)CC(=O)Nc2cc(C)on2)c(C)c1 40477673 ZTHWLLREIVWAHO-OAHLLOKOSA-N 347.415 1.910 0 40 EDAB O=C1COc2ccccc2N1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 40553820 VHLLHYJSXYHDHK-ZFWWWQNUSA-N 330.384 1.582 0 40 EDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 40528470 MIZVQJIXJQIZFU-QMMMGPOBSA-N 333.793 1.161 0 40 EDAB C[C@@H]1CCCCN1S(=O)(=O)NCc1ccc(S(C)(=O)=O)cc1 32440151 WDTCSVQNZJJHQD-GFCCVEGCSA-N 346.474 1.299 0 40 EDAB Cc1nccn1CCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 52193144 NRRBKMOKVGLPRO-KRWDZBQOSA-N 340.427 1.399 0 40 EDAB O=C(NCc1ccc(F)cc1)C1=NN(c2ccccc2)C(=O)CN1 32659751 BAQGUHVNJWBGPP-UHFFFAOYSA-N 326.331 1.392 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)Cn1cnc2ccccc2c1=O 46016381 UNTVDPBGVRWKLX-OAHLLOKOSA-N 337.383 1.324 0 40 EDAB CCc1nc(CS(=O)(=O)CCC(=O)Nc2cc(C)on2)cs1 46160784 UTIGSQRZOIIVAL-UHFFFAOYSA-N 343.430 1.946 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccn(-c3ccccc3)n2)C1 69531589 RNSJTKWRPHFNIT-HNNXBMFYSA-N 348.472 1.634 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)c1 60348805 KXUJAIUDKFJZOL-OAHLLOKOSA-N 339.413 1.805 0 40 EDAB CC1(C)[C@]2(C(=O)N3CCN(c4ncccn4)CC3)CC[C@@]1(C)C(=O)C2 532348 RFEDFTJQXZCVPD-RBUKOAKNSA-N 342.443 1.911 0 40 EDAB CCOC(=O)c1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 2671295 GVRICAFAAAYWDP-UHFFFAOYSA-N 347.400 1.549 0 40 EDAB CC(C)C[C@@H](C)S(=O)(=O)N1CCC(CN2CCOCC2)CC1 69696413 MZNUMCTYMMDMMB-OAHLLOKOSA-N 332.510 1.795 0 40 EDAB CN(C)C(=O)COc1cccc(CNc2ncnc3c2cnn3C)c1 52429396 XUVZFDUFTTYVFU-UHFFFAOYSA-N 340.387 1.442 0 40 EDAB O=C(NCc1cccnc1)C1CCN(C(=O)COC2CCCC2)CC1 52536062 SNIBURWWVXZHSS-UHFFFAOYSA-N 345.443 1.896 0 40 EDAB COc1ccc(CCNC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1OC 4851879 MKPBSJITNRALDA-VRKREXBASA-N 347.367 1.017 0 40 EDAB Cc1nc(CCNC(=O)C2=NN(c3ccccc3)C(=O)CN2)cs1 32939103 UEABMDGCGQANPI-UHFFFAOYSA-N 343.412 1.060 0 40 EDAB CCOC(=O)C1=C(C)N(N)C(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 6205959 RSSLNZIEOGRSAT-GFCCVEGCSA-N 336.373 1.537 0 40 EDAB CN(C(=O)CN1CCN(Cc2cccnc2)CC1)C1CCCCC1 69698429 PFENHKHFMXLHIS-UHFFFAOYSA-N 330.476 1.990 0 40 EDAB CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1 6636403 CSNKRHHHZCYBPU-NWDGAFQWSA-N 328.434 1.667 0 40 EDAB Cc1c(Br)c(C(=O)N2CCC3(CC2)OCCO3)nn1C 2775069 XOLNUEXAODZSKL-UHFFFAOYSA-N 344.209 1.470 0 40 EDAB COC(=O)C[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186375 MMUMROJPLZJRGC-SPYBWZPUSA-N 345.395 1.715 0 40 EDAB C[C@H](NC(=O)[C@H](C)N1CC[C@H](C(N)=O)C1)c1ccc2c(c1)CCCC2 52961344 HUJQRPMXESXWIQ-DEYYWGMASA-N 343.471 1.938 0 40 EDAB Cc1ccn2cc(C(=O)N3CCCN(c4cccnn4)CC3)nc2c1 69949398 MNKISILDWJPFIV-UHFFFAOYSA-N 336.399 1.785 0 40 EDAB O=C(COc1ccccc1)NCc1ccc(N2CCOCC2)nc1 12171619 FLOWQACCGIBYSS-UHFFFAOYSA-N 327.384 1.613 0 40 EDAB CN1N=C(c2ccncc2)[C@H](C(=O)c2ccc3c(c2)OCCO3)C1=O 103263883 SBCKCQWAMOGIJS-OAHLLOKOSA-N 337.335 1.528 0 40 EDAB CCOC[C@@H]1c2c(cnn2C)CCN1S(=O)(=O)Cc1ccccc1 106774997 BXRKIDGJVQKSJR-MRXNPFEDSA-N 349.456 1.886 0 40 EDAB O=C(N[C@H](CO)c1ccccc1)c1cc(F)ccc1-n1cnnn1 12390228 UXEKWJJGOKMEPO-CQSZACIVSA-N 327.319 1.265 0 40 EDAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NCc2ccccn2)cc1 22687975 JHZHTYWQCMQJME-ZHZWZMEUSA-N 339.395 1.925 0 40 EDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 17636180 PMXUPCYRTRHSJK-LLVKDONJSA-N 331.821 1.801 0 40 EDAB Cc1cccc(OC[C@H](O)CN2C(=O)N[C@]3(CCSC3)C2=O)c1 24096861 XZFFKDGYSWUKRQ-WBMJQRKESA-N 336.413 1.162 0 40 EDAB Cc1ccc(-n2nc(C)c(NC(=O)CN(C)CC(N)=O)c2C)cc1 47628681 DECFQXYCXGOCHC-UHFFFAOYSA-N 329.404 1.153 0 40 EDAB COc1cccc(CNC(=O)[C@@H](C)N2CCN(C(=O)C3CC3)CC2)c1 24596573 ZUNBPQRAAQBMES-CQSZACIVSA-N 345.443 1.254 0 40 EDAB C[C@H](C(=O)Nc1ccc(NC(=O)c2cnccn2)cc1)n1cncn1 24704747 WTOPCKFLDBHODI-LLVKDONJSA-N 337.343 1.520 0 40 EDAB NC(=O)CCNC(=O)NCC1CCN(Cc2ccccc2F)CC1 72271359 DUDLERPCAHVTBS-UHFFFAOYSA-N 336.411 1.212 0 40 EDAB O=C1C[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)c2ccccc2N1 55311070 CCMDNUWHPBTHSF-GFCCVEGCSA-N 341.333 1.819 0 40 EDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)OCCO2 24995333 FFHAACMMFLXZPH-AWEZNQCLSA-N 336.388 1.400 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)Cn1c(=O)cnc2ccccc21 24989486 XVIHYVFIBCKYTP-ZDUSSCGKSA-N 337.383 1.324 0 40 EDAB Cn1cc(NS(=O)(=O)c2ccc3c(c2)OC(C)(C)C(=O)N3)cn1 57280375 BRJXLHWFDKPLFB-UHFFFAOYSA-N 336.373 1.330 0 40 EDAB CCc1ccc(C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)o1 25105587 LLDOQNKNVGZVLG-UHFFFAOYSA-N 336.413 1.821 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N(C)Cc2ccsc2)C[C@@H]1C 106868062 ZXNLUKMKVJXVTN-KBPBESRZSA-N 325.478 1.093 0 40 EDAB COCCOc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1F 55726421 CSOLLGUEHKIJQY-UHFFFAOYSA-N 338.335 1.329 0 40 EDAB C[C@]1(c2ccccc2)CC(=O)N(Cc2nnnn2-c2ccccc2)C1=O 179207480 HNGGQISTALJSJI-LJQANCHMSA-N 347.378 1.879 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCOc1ccc2c(c1)OCO2 57853755 JKELUISBMBHMMX-DGCLKSJQSA-N 334.372 1.073 0 40 EDAB CCCn1c(N)c(C(=O)CN(CC)c2ccccc2)c(=O)[nH]c1=O 44874691 GNPRHRQQLUAQIW-UHFFFAOYSA-N 330.388 1.238 0 40 EDAB O=C(NCCCN1CCCCC1)N1CCN(c2nccs2)CC1 48235440 AJJGDYQYODPWBT-UHFFFAOYSA-N 337.493 1.851 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2ccccc2OC(F)F)CC1 58265615 XGGVMXAVNQOQCV-UHFFFAOYSA-N 334.344 1.141 0 40 EDAB O=C(Cc1ccccc1)N1CCN(C(=O)c2cn3cccnc3n2)CC1 48248143 KXECBNPUURFUBD-UHFFFAOYSA-N 349.394 1.256 0 40 EDAB O=C(NC[C@H](O)COc1ccc(F)cc1)c1cccc2c1OCCO2 58281287 ZPQRFQGEKIKQBX-ZDUSSCGKSA-N 347.342 1.767 0 40 EDAB CN1CCN(S(=O)(=O)c2ccc3c(c2)N=C(O)CS3)CC1 36139314 DVLMKHPEACKEBA-UHFFFAOYSA-N 327.431 1.316 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1nnc2ccccn12 44948126 SMFUISKNYZLPPR-NEPJUHHUSA-N 336.417 1.198 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 44970317 LHTYARLFWNSRKX-KGLIPLIRSA-N 329.404 1.969 0 40 EDAB CCn1c(=O)n(CC(=O)N(C[C@H]2CCOC2)C2CC2)c2ccccc21 44941231 ILIVUARZTMWCJM-CQSZACIVSA-N 343.427 1.850 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)COc2ccc(Cl)cc21)[C@@H]1CCCO1 27889578 NTIWXBVJQGOEBW-MFKMUULPSA-N 338.791 1.749 0 40 EDAB CN1CCO[C@H](CNC(=O)CCC(=O)c2ccc(F)cc2F)C1 58342980 XKTRDNDMJSKEPR-GFCCVEGCSA-N 326.343 1.375 0 40 EDAB O=c1onc(-c2ccccc2)n1CCS(=O)(=O)c1ccccc1 58378039 IKIFFYWJDHQQHX-UHFFFAOYSA-N 330.365 1.977 0 40 EDAB CCO[C@H]1CCCN(C(=O)C2(NS(C)(=O)=O)CCCCC2)C1 58423917 VDCVFPPICXBKMX-ZDUSSCGKSA-N 332.466 1.266 0 40 EDAB CN1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 3310189 RKAIOBCBNKXOTR-UHFFFAOYSA-N 344.242 1.887 0 40 EDAB NC(=O)CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 28922716 UBWFSTHIUHETPY-UHFFFAOYSA-N 331.338 1.578 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)N[C@H]1COc2ccccc2O1 27298840 XXRMGCGSZCPTGW-MRXNPFEDSA-N 342.351 1.856 0 40 EDAB O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCc2ccccc21 12747527 UVEWSUFKAQUFMW-UHFFFAOYSA-N 348.362 1.623 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)c1ccco1 48300435 DFWUDGHJMQSDSW-JSGCOSHPSA-N 341.367 1.620 0 40 EDAB CCn1cc(NC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)cn1 48351333 JKFBSXDYSCNIOU-ZDUSSCGKSA-N 343.453 1.229 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)c2ccc(CNC(C)=O)o2)no1 72299265 HQZJYFLKCBZQTN-LBPRGKRZSA-N 332.360 1.838 0 40 EDAB Cc1cc(NCCNc2ncc(Br)cn2)n2ncnc2n1 72289204 DMKXFIFAQDLRIE-UHFFFAOYSA-N 349.196 1.509 0 40 EDAB CC(C)C[C@@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)O 4088789 BDWZXGZGXPGEHF-DVOMOZLQSA-N 348.424 1.872 0 40 EDAB biogenic CC(C)C(=O)N[C@@]1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O 9419149 FFSPYRMDTPNPSQ-CYBMUJFWSA-N 344.293 1.164 0 40 EDAB O=C(O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1O 8880096 GWIAYBQIWRZRIQ-AWEZNQCLSA-N 327.292 1.811 0 40 EDAB biogenic Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCC(C)C)[C@H]4C2=O)no1 13627065 KLFYJWOZWHIGPW-LJGDNWOOSA-N 345.399 1.432 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)C1CCN(c3cnccn3)CC1)C2 72278981 WKCOKSKSLQSYRI-HNNXBMFYSA-N 340.431 1.329 0 40 EDAB CC(=O)NCCNC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 39977617 DCCHPXNWLCRMBU-CQSZACIVSA-N 325.796 1.160 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCN(C)C3CC3)CC2=O)cc1F 65404115 HCXMGFKSSYSUCM-CYBMUJFWSA-N 333.407 1.697 0 40 EDAB CCCOCC(=O)NS(=O)(=O)c1ccc2c(c1)OCCCO2 65484776 IDPOACJTTWSHNY-UHFFFAOYSA-N 329.374 1.079 0 40 EDAB CC[C@@H]1CN(C(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)CCO1 65490050 ZTPAAELXCOQGET-CYBMUJFWSA-N 342.399 1.320 0 40 EDAB Cn1ccnc1[C@H](NC(=O)NC[C@@H]1CCOC1)c1ccc(F)cc1 65405048 NQNWTYBGWHNXKA-SWLSCSKDSA-N 332.379 1.984 0 40 EDAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)N2CCCC[C@@H]2C)nc1 65576109 PYPDROLQXJOSFU-ZDUSSCGKSA-N 340.449 1.380 0 40 EDAB CCNC(=O)NC(=O)CNc1ccc(OCCO)cc1C(F)(F)F 65548055 FAXVINHNZIGQMI-UHFFFAOYSA-N 349.309 1.334 0 40 EDAB Cn1ccnc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1=O 92964100 LNMXNXJOPCRGEJ-NSHDSACASA-N 340.305 1.852 0 40 EDAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC(C)(C)N1CCOCC1 14240719 KQARGNDUDQJYNN-CQSZACIVSA-N 348.447 1.424 0 40 EDAB COc1cn(C)c(C(=O)N2CCN(c3ccccc3)CC2)cc1=O 71283748 FNIIDOUNDANNOD-UHFFFAOYSA-N 327.384 1.356 0 40 EDAB C[C@@H]1CCCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1 6881936 BWORFVNSTAYUER-SNVBAGLBSA-N 343.349 1.891 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NCc1ccccc1OC 4973917 FGUJLJGQPIOPEL-UHFFFAOYSA-N 328.368 1.636 0 40 EDAB CN(C)CCOc1ccccc1C(=O)N[C@H]1CCc2nccn2C1 72278668 IJQIMZIUCVYFDV-AWEZNQCLSA-N 328.416 1.568 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 67792079 OGGZKZCHLAAOOZ-MRXNPFEDSA-N 345.443 1.251 0 40 EDAB CC(C)(C)c1ncc(C(=O)NC2CCN(S(C)(=O)=O)CC2)s1 67790811 CPBGEOYBRNYHRA-UHFFFAOYSA-N 345.490 1.594 0 40 EDAB Cn1c(CCNC(=O)[C@H]2COc3ccc(F)cc3C2)n[nH]c1=S 90552219 WATAXLZKEQNNOV-SNVBAGLBSA-N 336.392 1.527 0 40 EDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(=O)[nH]c2)c1 16050290 MAXGDNUEHRFQJD-UHFFFAOYSA-N 349.412 1.658 0 40 EDAB CCN(C)S(=O)(=O)N1CCC(NC(=O)c2ccccc2C)CC1 81182767 YCIWFLHTDZDOFI-UHFFFAOYSA-N 339.461 1.386 0 40 EDAB O=C(OCC(=O)N1CCNC1=O)c1ccc(Br)cc1F 8261155 IXVGLMOMDKIFAQ-UHFFFAOYSA-N 345.124 1.297 0 40 EDAB CC(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 8259336 HUZAMJSEYSWUIF-LLVKDONJSA-N 332.360 1.752 0 40 EDAB C/C(=C\C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 96256309 XEPFGPAFVQYEFF-CCEZHUSRSA-N 342.443 1.593 0 40 EDAB CCN(CC)C(=O)COC(=O)CNC(=O)N1CCc2ccccc2C1 70040729 BLYYMOAPOKKPID-UHFFFAOYSA-N 347.415 1.166 0 40 EDAB Cc1noc([C@H](C)N2CCN([C@@H](C(N)=O)c3ccc(F)cc3)CC2)n1 69386969 PNSMMFOWELEVKK-XHDPSFHLSA-N 347.394 1.422 0 40 EDAB CC[C@H](CO)NC(=O)C(=O)N1CCc2ccc(Br)cc21 72281350 IGIQZERXSXOKFM-LLVKDONJSA-N 341.205 1.225 0 40 EDAB C[C@H](CNC(=O)c1nnn(-c2ccccc2)c1C(F)(F)F)N(C)C 69456075 SXTDZOKWHBDETD-SNVBAGLBSA-N 341.337 1.966 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1Cc1cccc2c1OCCO2 69417058 SKYZZLOFTRVJLS-AWEZNQCLSA-N 340.445 1.362 0 40 EDAB Cn1cc(C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)c(-c2cccnc2)n1 71839319 LKRMTCGEBYTXSN-INIZCTEOSA-N 349.394 1.978 0 40 EDAB COc1ccc(CN2CCN(C(=O)Cn3nc(C)cc3C)CC2)cc1 71860628 JRBZMNBDHJWOJE-UHFFFAOYSA-N 342.443 1.853 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)NCCc1ccc(C(F)(F)F)cc1 71856563 BNITZBZMXDHXKC-SNVBAGLBSA-N 329.322 1.778 0 40 EDAB O=C1C(=O)N(CCN2CCOCC2)c2ccc(Br)cc21 19966845 YJRWQMXMSCWHSQ-UHFFFAOYSA-N 339.189 1.311 0 40 EDAB COC(=O)c1n[nH]c2ccc(NC(=O)NCCCn3cccn3)cc12 71912122 PCORFHUYLGQNIL-UHFFFAOYSA-N 342.359 1.758 0 40 EDAB Cc1ccccc1COC(=O)c1cnn(CCN2CCOCC2)c1 71921380 LDPIICGBEQYYQO-UHFFFAOYSA-N 329.400 1.881 0 40 EDAB O=C(NCCN1CCCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 71921767 DPMCIYYZZGQUNX-SFHVURJKSA-N 331.460 1.490 0 40 EDAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC[C@@H]1CCC[C@H]1O 72301330 UHLCDJOZKVYWSU-WCQYABFASA-N 325.792 1.931 0 40 EDAB COc1cc(Br)ccc1[C@@H]1NC(=O)[C@@H]2COCCN21 97237614 MYILJBKFWWNWRE-CMPLNLGQSA-N 327.178 1.287 0 40 EDAB NC(=O)OCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 97371408 UYCXACNGSGOJCS-GHMZBOCLSA-N 327.178 1.764 0 40 EDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCC(C(N)=O)CC2)o1 78879780 DMNMOHIZHRZKBS-CYBMUJFWSA-N 341.433 1.167 0 40 EDAB Cc1cnn(Cc2cc(C(=O)Nc3n[nH]c(-c4ccoc4)n3)no2)c1 95439388 NWNJLBIDKVIJEA-UHFFFAOYSA-N 339.315 1.858 0 40 EDAB Cc1cc(C)n(CCCNC(=O)N2CCC[C@@H]2CN2CCOCC2)n1 78951266 CAKXHVGXKWUSLY-QGZVFWFLSA-N 349.479 1.396 0 40 EDAB Cc1nsc(N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)n1 78997294 XTBGZLDOARTGRB-UHFFFAOYSA-N 328.401 1.685 0 40 EDAB CC(C)c1cc(NC(=O)CN2CCC(N3CCN(C)C3=O)CC2)on1 75131508 ZDGUIWJSJZRYSX-UHFFFAOYSA-N 349.435 1.568 0 40 EDAB C[C@H]1COC[C@H](C)N1CC(=O)NC(=O)NCCc1cccs1 75145450 SHJIOQUETZUMJE-RYUDHWBXSA-N 325.434 1.226 0 40 EDAB O=C1CCN(C(=O)NC[C@@H]2C[C@@]23CCCc2ccccc23)CCN1 89858226 FIDZFAVCYKGLOM-KXBFYZLASA-N 327.428 1.812 0 40 EDAB CCN(CC)c1ccc(C(=O)N[C@]2(C(=O)OC)CCSC2)cn1 89969110 MQXGGOXRMIKONT-MRXNPFEDSA-N 337.445 1.706 0 40 EDAB CCn1ccnc1[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H](C)c1nc(C)no1 1548453494 JZETUWSEMLIAFD-RAIGVLPGSA-N 348.407 1.827 0 40 EDAB CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@@H]1C2 306135888 PDWBXKYTNXYWDK-KBPBESRZSA-N 343.406 1.471 0 40 EDAB O=C(C1CC1)N1C[C@H]2[C@@H](C1)N(Cc1cccnc1)C(=O)c1cccn12 306139739 TYYLVQJHAGSGGO-DLBZAZTESA-N 336.395 1.701 0 40 EDAB Cc1nc(CN2CC[C@H]3[C@H]2CCN3S(=O)(=O)C2CC2)cs1 306132306 LEOVXOWCJQGURJ-KGLIPLIRSA-N 327.475 1.592 0 40 EDAB COC[C@@H](C)NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 408623608 YFOWCGVLLXYICE-CYBMUJFWSA-N 328.434 1.221 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)n(C)n1 306144069 YVJPGECAOQTEAP-NUEKZKHPSA-N 328.420 1.077 0 40 EDAB CCCCNS(=O)(=O)c1ccc(N[C@@H](C)COC)c(C(=O)O)c1 217552250 RBNGRMFQGJUCQH-NSHDSACASA-N 344.433 1.910 0 40 EDAB CCc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 408648905 CVMADFDWWDWFQQ-DTWJZALFSA-N 343.379 1.928 0 40 EDAB CSCC[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O 6408278 DPWXMRJIQVUCRE-SNVBAGLBSA-N 326.374 1.786 0 40 EDAB biogenic COc1ccc(OC)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1 74584745 SIRLBNDHOSFUSJ-UHFFFAOYSA-N 348.380 1.851 0 40 EDAB CO[C@@H]1C=C[C@]23c4cc5c(cc4[C@H](O)O[C@H]2CN(C)[C@H]3C1)OCO5 72283751 KLJOYDMUWKSYBP-SLEMLFNQSA-N 331.368 1.332 0 40 EDAB biogenic,in-vitro CN(C)c1cncc(C2CCN(C(=O)[C@]3(C)CCCCN3)CC2)n1 72367357 JIUJQZAPXPRMIR-SFHVURJKSA-N 331.464 1.781 0 40 EDAB O=C(CCN1CCn2c(nnc2-c2ccccc2)C1)N1CCOCC1 76183559 NHXMVISURZSRNX-UHFFFAOYSA-N 341.415 1.010 0 40 EDAB CNCC(=O)N1CC[C@H](c2nc(C)cc(Nc3ncccc3C)n2)C1 72383029 ATLXRAUAYDIRMH-AWEZNQCLSA-N 340.431 1.767 0 40 EDAB Cc1cc(C(=O)NCCCn2nc(-c3ccncc3)ccc2=O)no1 38488136 ZOLCKURVZQUFRU-UHFFFAOYSA-N 339.355 1.422 0 40 EDAB CCNS(=O)(=O)c1cccc(C(=O)NCCCOC(C)C)c1 31436160 UCRHSIVSUVVNRU-UHFFFAOYSA-N 328.434 1.530 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)C1 72237825 VBKFKECWAKNDDI-ZIAGYGMSSA-N 348.447 1.539 0 40 EDAB CCn1nccc1S(=O)(=O)NC[C@@H](C(=O)O)c1ccc(F)cc1 563532300 KSJZEECTMNYVRA-GFCCVEGCSA-N 341.364 1.189 0 40 EDAB Cc1nnc2ccc(NCCc3ccc(S(C)(=O)=O)cc3)nn12 78380773 IWPRMSZHPWDCKF-UHFFFAOYSA-N 331.401 1.491 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1nc(-n2cccn2)ccc1=O 70655872 DJIJZWRNPYSJJS-CYBMUJFWSA-N 335.367 1.407 0 40 EDAB O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)NC1CCNCC1 564209325 SMQYAEIWWAVBMQ-UHFFFAOYSA-N 346.456 1.686 0 40 EDAB O=C(c1ccc2ccncc2n1)N1CCC[C@H](N2CCNC2=O)C1 575174632 LYHPPVIOQVYCNY-ZDUSSCGKSA-N 325.372 1.260 0 40 EDAB CCc1nc(NCCC(=O)NCCOC)c2c(n1)c(C)nn2CC 226688155 ZXFWAOYDDJPLSV-UHFFFAOYSA-N 334.424 1.282 0 40 EDAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)[C@H]1CC=CCC1 75170389 QRGFYCCTAHYFCI-AWEZNQCLSA-N 326.462 1.663 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1nc(C)n2c1CCCC2 195533174 NPVARZJLIAHPKG-VIRABCJISA-N 331.416 1.845 0 40 EDAB C[C@H]1CN([C@H](CNc2nc(C(=O)O)co2)c2cccs2)CCO1 577637664 ABTQNRFLURVWNL-CMPLNLGQSA-N 337.401 2.308 0 40 EDAB C[C@@H]1SCCN(C(=O)Cn2cc(Br)ccc2=O)[C@@H]1C 96411121 RYKGYNCZSORAOE-ZJUUUORDSA-N 345.262 1.963 0 40 EDAB Cc1nccn1Cc1ccc(NC(=O)N[C@H]2CCN(C)C2=O)cc1 96415962 VYPUQFQAPRFHIO-HNNXBMFYSA-N 327.388 1.592 0 40 EDAB Cc1ncoc1C(=O)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1 96219076 IZCSKKBONKNOJB-CYBMUJFWSA-N 343.387 1.951 0 40 EDAB O=c1cc(CN2CCCC2)nc2n1CCCN(CC1CCOCC1)C2 96059590 NUAKEYFJJDAJQA-UHFFFAOYSA-N 346.475 1.471 0 40 EDAB O=C(Cc1ccccc1)N1CCn2nnc(COc3cccnc3)c2C1 96256007 ILNCDPLGVXUPMQ-UHFFFAOYSA-N 349.394 1.837 0 40 EDAB O=C(NC1CC1)N1CCC[C@]2(C(=O)O)CN(Cc3ccoc3)C[C@@H]2C1 96064270 AWRDHXXJNNBSBU-KDOFPFPSSA-N 347.415 1.750 0 40 EDAB CCOC[C@@H]1C[C@]2(COCCN2C(=O)c2ccc3c(c2)OCO3)CO1 96078582 ZHFVRNHRQIUGQS-KSSFIOAISA-N 349.383 1.452 0 40 EDAB CC(C)CN1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1 96251165 IJBFBNZUIJMMHY-CRAIPNDOSA-N 331.464 1.492 0 40 EDAB Fc1cnc(N2C[C@@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)nc1 96042617 ICLHQFCCVGJIPB-MCIONIFRSA-N 334.326 1.965 0 40 EDAB CN(C)C(=O)N1CCC2(CC1)C[C@H](OCC1CCOCC1)CO2 96206302 BOHGRRRTAGEMFU-HNNXBMFYSA-N 326.437 1.735 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@](O)(c2cnn[nH]2)C1 583618936 JUPXRWSWXBPBBE-QGZVFWFLSA-N 325.372 1.718 0 40 EDAB C[C@H]1COCC[C@H]1S(=O)(=O)NCc1noc(-c2cccs2)n1 583651523 NWFFIVMTLJVGCN-GXSJLCMTSA-N 343.430 1.643 0 40 EDAB O=C(c1cccnc1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 96226514 RZZUAQBJFMMULB-SFHVURJKSA-N 339.399 1.383 0 40 EDAB O=C1CN(C(=O)NCCc2cnc(C3CC3)nc2)[C@H]2CCCC[C@@H]2N1 332764370 XPILCEAQQHNOAB-GJZGRUSLSA-N 343.431 1.349 0 40 EDAB CC(C)[C@H]1CN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CCCO1 584157817 ALFKXHZJGCQKCV-DOTOQJQBSA-N 349.479 1.845 0 40 EDAB COCCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccsc1)CC[C@H]2OC 96218688 UUBXOUJGMXYGOK-ARFHVFGLSA-N 338.473 1.485 0 40 EDAB CC[C@H](CO)Nc1ncc(Br)c(N[C@H](CC)CO)n1 584907827 ADLZDMPFIMXMGR-RKDXNWHRSA-N 333.230 1.605 0 40 EDAB Cc1nc(N2CCCC2)nc2c1CCN(C(=O)c1c[nH]cn1)CC2 96254548 LIMLZVJTVZSOLI-UHFFFAOYSA-N 326.404 1.349 0 40 EDAB CC[C@@H]1CN(C)CCN1C(=O)Cc1ccc(N2CCOC2=O)cc1 585085981 DUDUFQKTHAIJQU-OAHLLOKOSA-N 331.416 1.738 0 40 EDAB CO[C@H]1CCN(S(=O)(=O)C2CC2)[C@@H]2CN(Cc3ccco3)C[C@H]12 96109505 BGNFOPFBSJEFJJ-XHSDSOJGSA-N 340.445 1.293 0 40 EDAB CN(C)[C@H]1CCc2ccccc2N(S(=O)(=O)c2ccnn2C)C1 585122556 YYUNGXHMKVLKBP-AWEZNQCLSA-N 334.445 1.492 0 40 EDAB O=C(O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H]1COCCO1 585134260 KDLXBIZJXVILBT-JKSUJKDBSA-N 329.352 1.367 0 40 EDAB CCc1cc(NS(=O)(=O)c2ccsc2C(=O)OC)nc(C)n1 241383195 MTGQVACIXSSSGR-UHFFFAOYSA-N 341.414 1.996 0 40 EDAB O=C(CCc1ccc(F)cc1)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257272065 NAYBNGYPFFOHFZ-JFIYKMOQSA-N 336.407 1.099 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCO[C@H](c2nccnc2N)C1 257266093 MBNRZPMJCBGCQM-ZDUSSCGKSA-N 331.376 1.196 0 40 EDAB Cc1nc(O)cc([C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)n1 257290587 QDMYXOKQWSOPRR-GFCCVEGCSA-N 337.405 1.140 0 40 EDAB CN(CCC(=O)N1CCC2(CC1)OCCC[C@@H]2O)Cc1cccnc1 257302810 SEOAAYOPSPCCGU-KRWDZBQOSA-N 347.459 1.436 0 40 EDAB Nc1nccnc1C[C@@H]1CCCN(C(=O)COc2cccnc2)C1 257320203 VVSZQAZXTLDRSV-ZDUSSCGKSA-N 327.388 1.314 0 40 EDAB Cc1nc(-c2ncc[nH]2)cc(C2CCN(C(=O)CN(C)C)CC2)n1 257322454 WGBOLDHYJHSWIL-UHFFFAOYSA-N 328.420 1.443 0 40 EDAB Cc1ccnc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257227638 FQFQHWKRECVBHH-AWEZNQCLSA-N 325.372 1.666 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCO[C@@H](CCc2ccncn2)C1 257342724 ZPWWNYITCPQGRO-HNNXBMFYSA-N 341.367 1.679 0 40 EDAB COc1ccc(NC(=O)[C@]23C[C@H]2CCN(C)S3(=O)=O)c(OC)c1 260836459 PTYWDTNGMALWIC-BMIGLBTASA-N 340.401 1.066 0 40 EDAB O=C(N[C@@H](C(=O)O)[C@H]1CCCOC1)c1cc(O)nc2cc(F)ccc12 262814302 PMNAIUMGTXDGCY-BJOHPYRUSA-N 348.330 1.689 0 40 EDAB C[C@]1(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CCC(=O)NC1 281614822 XGXYIVGVXNMEMK-FKIZTMCRSA-N 341.455 1.760 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCNC(=O)C[C@H]2C)cc1C 608034478 JSAINRAEHHEVGR-GFCCVEGCSA-N 326.418 1.293 0 40 EDAB Cn1ccc(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)no2)n1 1615589831 VRCXUMAUBBYFRZ-UHFFFAOYSA-N 341.371 1.626 0 40 EDAB CCOCC(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1 575404899 PLYBNSWKZHZVGO-QGZVFWFLSA-N 329.400 1.847 0 40 EDAB COc1cccc(C(=O)NCc2nc(OC)nc(N3CCCC3)n2)c1 575603112 ACSYQVNNOSZMOO-UHFFFAOYSA-N 343.387 1.419 0 40 EDAB CN1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)Cc3ccn(C)n3)C2)C1 585103276 UBLRXSLDMAJZAU-QFBILLFUSA-N 346.475 1.170 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)c1ccnc(N2CCCC2)c1 585278153 LYXKLLRBSSZXKO-SFHVURJKSA-N 346.431 1.178 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1nccc2ccccc12 585288016 MPPMJKIYAKEWCI-INMHGKMJSA-N 330.384 1.736 0 40 EDAB O=S(=O)(c1ccccc1)N1CCO[C@](CO)(Cc2ccccc2)C1 585276711 DAUQHINYYBUTDK-GOSISDBHSA-N 347.436 1.681 0 40 EDAB O=C(CN1CCC[C@@H]1C(=O)NC1CC1)NCc1cccc(Cl)c1 54985808 WKXZMPIOSSSLJP-OAHLLOKOSA-N 335.835 1.699 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CCOc1cccc(F)c1 53186516 GVESPWSSYWKJEJ-NSHDSACASA-N 334.399 1.731 0 40 EDAB NS(=O)(=O)c1ccc(C[C@H](SC(F)(F)F)C(=O)O)cc1 91252819 QQMUTPKFZXUVGZ-QMMMGPOBSA-N 329.321 1.583 0 40 EDAB COC(=O)C[C@H](O)CNC(=O)c1nn(-c2ccccc2)c2c1CCC2 600466914 ASVJTPWDJVOIEM-ZDUSSCGKSA-N 343.383 1.015 0 40 EDAB CCSc1nnc(NC(=O)CN2CCC(COC)CC2)s1 585211222 CVCBIVTZCKQVIF-UHFFFAOYSA-N 330.479 1.947 0 40 EDAB Cc1nc2c(c(N(C)C3CN(c4ccc5nncn5n4)C3)n1)CCC2 585592556 IQUIAOZEPIDHSD-UHFFFAOYSA-N 336.403 1.036 0 40 EDAB CN(C)C(=O)CNC(=O)COc1ccc(F)cc1Br 7694140 MIYFOCSJTDZYTP-UHFFFAOYSA-N 333.157 1.171 0 40 EDAB Cc1cccc(-n2c(-c3ccco3)nn(CC(=O)NC(C)C)c2=O)n1 12117414 JNJGKLCWFMGIPP-UHFFFAOYSA-N 341.371 1.522 0 40 EDAB C[C@H]1CCCCN1C(=O)Cn1nc(-c2cccs2)cc(N)c1=O 12146722 QKVIYTLXRYIJKG-NSHDSACASA-N 332.429 1.955 0 40 EDAB O=C(C1CCC1)N1CCC(n2nnc3c(O)nc(C4CC4)nc32)CC1 12219352 ISZITVBBQSXEAT-UHFFFAOYSA-N 342.403 1.768 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](Cn3ccnc3)C2)cc1 12219626 KBDWYKCKOZCXSQ-HNNXBMFYSA-N 349.412 1.175 0 40 EDAB O=C(C1CC1)N1CCC[C@@H](c2cc(O)nc(-c3cnccn3)n2)C1 13268060 FNYBODXIFQIEMY-GFCCVEGCSA-N 325.372 1.755 0 40 EDAB CCS(=O)(=O)N1CCCc2cc(C(=O)NCCCOC)ccc21 13610390 VMCGURHQDUTIBL-UHFFFAOYSA-N 340.445 1.555 0 40 EDAB COC(=O)c1coc(S(=O)(=O)NCCc2cc(F)cc(F)c2)c1 152477908 CUZBZRLCPKYZTC-UHFFFAOYSA-N 345.323 1.865 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C(=O)O)c2ccccc2)cc1F 11804153 OMJZZPXZVHRBKD-AWEZNQCLSA-N 339.344 1.939 0 40 EDAB COC1CCN(C2CN(C(=O)c3ccc(NC(C)=O)cc3)C2)CC1 575609896 AKOXDBHVSPDWBS-UHFFFAOYSA-N 331.416 1.580 0 40 EDAB COCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCO[C@@H](C(C)C)C1 1066567984 XCHKVSNRJLPQSO-JKSUJKDBSA-N 342.480 1.781 0 40 EDAB Cn1ccc(CN2CCN(c3ccc(C4CC4)nn3)CC2)cc1=O 1849887470 YTNUPOWPCWIJHM-UHFFFAOYSA-N 325.416 1.375 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1cc(F)cc(F)c1 22063419 SFBIEHFWBWYHFZ-INIZCTEOSA-N 345.349 1.816 0 40 EDAB CC(=O)NCCNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 27672001 INXVNIUYYTWGCH-UHFFFAOYSA-N 337.326 1.805 0 40 EDAB CC(C)(C)c1cc(NC(=O)C2CC2)n([C@H]2CCS(=O)(=O)C2)n1 28621427 NHWKHTGZMUBCHT-NSHDSACASA-N 325.434 1.889 0 40 EDAB O=C(NCc1nnc2ccc(N3CCCC3)nn12)c1ccc(F)cc1 245131216 VJJPHYNNWXCDDO-UHFFFAOYSA-N 340.362 1.794 0 40 EDAB Cn1nccc1CN1CCC[C@]2(CCCN(C(=O)c3cnco3)C2)C1 2056224012 NEHJMKQICPLLLS-SFHVURJKSA-N 343.431 1.927 0 40 EDAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@@H]1CCOC1)CC2 1565551662 IXPGQPSUDRAZLO-HUUCEWRRSA-N 338.448 1.147 0 40 EDAB CCCS(=O)(=O)NCCn1nc(-c2cccs2)ccc1=O 8954877 MLRQUKAGSRJEFP-UHFFFAOYSA-N 327.431 1.301 0 40 EDAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccco2)n1 12123615 KTYLNHXLDFNQEO-UHFFFAOYSA-N 325.328 1.987 0 40 EDAB CCCCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055718020 VZZVKIGCYPEGGS-CYBMUJFWSA-N 332.448 1.986 0 40 EDAB O=C(Cn1nc(C2CC2)ccc1=O)Nc1ccc2nc(O)[nH]c2c1 575620247 OXWOJRSKHBFVPT-UHFFFAOYSA-N 325.328 1.341 0 40 EDAB c1cc2nc(OC3CCN(c4ccn5nccc5n4)CC3)ccn2n1 2298101372 QZUHPXLJVOBIRH-UHFFFAOYSA-N 335.371 1.820 0 40 EDAB CN1C[C@H](C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1=O 40073728 UVFRAXVYRKEIIV-LLVKDONJSA-N 341.864 1.524 0 40 EDAB c1cnc(-n2cccn2)c(CNCc2cnc(N3CCCC3)nc2)c1 40153242 CSCIWCKZNBRAOO-UHFFFAOYSA-N 335.415 1.947 0 40 EDAB C[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1cccc(F)c1 40493522 YYIWGGKNFQJPFO-SMDDNHRTSA-N 328.409 1.817 0 40 EDAB Cc1ccc(N2N=C(C(=O)N3CCNC(=O)C3)CCC2=O)cc1Cl 40481167 IJBPQCDUISXNMZ-UHFFFAOYSA-N 348.790 1.090 0 40 EDAB CN1CCN(C(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)CC1 20387145 LTHRDWZFYIVADH-UHFFFAOYSA-N 345.830 1.938 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OCC(F)(F)F)nc1 40542898 NIDHPQYGLDKHCZ-LLVKDONJSA-N 347.337 1.913 0 40 EDAB CN(CCCN1C(=O)NC(C)(C)C1=O)CCOc1ccccc1F 40515877 DJVBXISWFOUZEI-UHFFFAOYSA-N 337.395 1.857 0 40 EDAB NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 32069438 OKGIFUWMRVAPTH-LBPRGKRZSA-N 349.818 1.417 0 40 EDAB COc1ccccc1-n1nnc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1C 32633748 LOLZLLUKGBCOAT-VXGBXAGGSA-N 330.388 1.834 0 40 EDAB CCc1ccc([C@@H](CNS(=O)(=O)c2cnn(C)c2)N(C)C)cc1 46033783 WCJVAZWTFGEXRT-MRXNPFEDSA-N 336.461 1.564 0 40 EDAB CC(C)C[C@H](NS(=O)(=O)N(C)C1CCCCC1)C(=O)N(C)C 46035003 YABNYTSMQAYZHI-AWEZNQCLSA-N 333.498 1.588 0 40 EDAB NC(=O)CC1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 52391530 KQBOVDWWIQZBRX-UHFFFAOYSA-N 336.399 1.907 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1)C(C)C 1642758 HPCAUARJFQDLKR-SJORKVTESA-N 346.427 1.882 0 40 EDAB COc1ccc(C)cc1CN(C)C(=O)[C@H]1CCCN1S(C)(=O)=O 52610155 DNUOAQIAIPXDMS-CQSZACIVSA-N 340.445 1.386 0 40 EDAB CCOc1ccccc1/C=C1/C(=O)N(CC(=O)OC)C(=S)N1C 6965180 MNYQTXGCLJKJFH-XFXZXTDPSA-N 334.397 1.658 0 40 EDAB Cc1nc(S(=O)(=O)N(C)C[C@H](C)O)sc1Br 96008632 RAFRFYAUGUFXKD-YFKPBYRVSA-N 329.241 1.215 0 40 EDAB Cc1ccc(OC[C@@H](O)Cn2cnc3cnccc3c2=O)c(C)c1 96004377 KURBUUATPRNEII-AWEZNQCLSA-N 325.368 1.848 0 40 EDAB CCOc1ncccc1CNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 103049121 HCGSTMHRIPASNV-ZIAGYGMSSA-N 345.399 1.272 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCc3c(nc[nH]c3=O)C2)cc1Cl 96012532 HZBRXQQUEDENKM-UHFFFAOYSA-N 339.804 1.479 0 40 EDAB O=C(Nc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 8298369 APOMESVZCKLZCL-XKQJLSEDSA-N 341.415 1.120 0 40 EDAB biogenic,in-vitro O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc(O)nn2)CC1 22702167 DOYPSSBNEBIIAY-UHFFFAOYSA-N 327.340 1.623 0 40 EDAB CCOc1cc2c(cc1NC(=O)CCN1C(=O)CCC1=O)O[C@H](C)C2 21837609 PQCIYRTUBWRETP-LLVKDONJSA-N 346.383 1.886 0 40 EDAB O=C(NCCNC(=O)N1CCN2CCCC[C@H]2C1)c1ccccc1F 105173414 BEPSNULTYNESEO-AWEZNQCLSA-N 348.422 1.435 0 40 EDAB CCn1nnc2cc(C(=O)N3C[C@@H](C)[C@@H](N4CCOCC4)C3)ccc21 76054437 JDDXBBFINGOYAZ-DYVFJYSZSA-N 343.431 1.244 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1nnsc1Cl 24085146 NWVLDAJTKAIKLO-UHFFFAOYSA-N 336.760 1.714 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NCC1(N2CCOCC2)CCCCC1 47793229 DVXPFUGSAOKQCZ-INIZCTEOSA-N 349.479 1.606 0 40 EDAB COC(=O)[C@@H](CNC(=O)CSc1nccn1C)c1ccccc1 76041783 KMDFACANUNRNSE-ZDUSSCGKSA-N 333.413 1.585 0 40 EDAB Cc1cc(C(=O)N[C@@H](C)c2cnn(C)c2C)ccc1-n1cnnn1 25004631 ZFHKCXGARWMAQE-NSHDSACASA-N 325.376 1.504 0 40 EDAB COC(=O)c1ccnc(N2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1 55504705 KUELVANBUDWGRJ-AWEZNQCLSA-N 333.388 1.086 0 40 EDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 106858851 JHQRBKIZDYJVMA-LFPKGMGHSA-N 327.384 1.921 0 40 EDAB COC(=O)c1cccc(CN2CCc3cc(S(N)(=O)=O)ccc32)c1 27550663 ALRFGFIYVYPCQI-UHFFFAOYSA-N 346.408 1.683 0 40 EDAB Cc1ccc(N2N=C(C(=O)N[C@@H](C)Cc3ccco3)NCC2=O)cc1 25301144 WADLSZRCMMBPKW-ZDUSSCGKSA-N 340.383 1.585 0 40 EDAB NC(=O)C[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)C1 107148712 OBPCIWGFXQWTNO-KKUMJFAQSA-N 333.436 1.664 0 40 EDAB CCn1cnnc1CNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 48021004 ZFGHLTHFZFZTGR-NSHDSACASA-N 331.376 1.630 0 40 EDAB O=C(N[C@@H]1CN(C2CCCC2)C[C@@H]2CCCO[C@@H]21)c1cnccn1 107713359 RKLKVFJPGOEERK-XKQJLSEDSA-N 330.432 1.628 0 40 EDAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 44893766 WWFLPTPWQNYWIA-KBUPBQIOSA-N 331.478 1.767 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1nnc2n1CCC2 44895337 PEWQNXWEOJYMTG-GFCCVEGCSA-N 343.387 1.206 0 40 EDAB CC(=O)NCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 58291526 MHMSFJXOKCZEFJ-KRWDZBQOSA-N 332.448 1.476 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)nc2n1 48271107 LDWKYHBSYWNPQG-BETUJISGSA-N 344.463 1.839 0 40 EDAB CCN(Cc1cccc(S(=O)(=O)N(C)C)c1)C[C@@H]1CCOC1 48236134 RYVYEEQLDYAELE-HNNXBMFYSA-N 326.462 1.795 0 40 EDAB CC(=O)N1CCN(CCNC(=O)c2sccc2-n2cccc2)CC1 44940060 JTXWAINNKSRZOQ-UHFFFAOYSA-N 346.456 1.433 0 40 EDAB Cc1csc(CNC(=O)NC[C@H](CC(C)C)N2CCOCC2)n1 44952945 XSEQJMVHKWFVTN-AWEZNQCLSA-N 340.493 1.998 0 40 EDAB CCN(C)c1ccc(C(=O)NC2CCN(CC(=O)NC)CC2)cc1 58392387 OZLXCUMMYWAKMX-UHFFFAOYSA-N 332.448 1.083 0 40 EDAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC(C)(C)C)cc1 28209408 DRBWLFMMJGKXDM-CYBMUJFWSA-N 338.429 1.589 0 40 EDAB CC(=O)NCCNC(=O)c1ccc(I)cc1 3336738 WPPUMNGOOIPWHZ-UHFFFAOYSA-N 332.141 1.157 0 40 EDAB Cn1ncc2c(SCC(=O)NCCc3ccccc3)ncnc21 11676516 WAFDOSDWZYOMOU-UHFFFAOYSA-N 327.413 1.814 0 40 EDAB COc1ccccc1OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 48310273 IXFNYCXQTGRMBN-UHFFFAOYSA-N 340.335 1.694 0 40 EDAB Cc1csc(-c2cccc(NC(=O)C[C@H]3NC(=O)NC3=O)c2)n1 69771056 YBTRTLZWFCFIML-LLVKDONJSA-N 330.369 1.655 0 40 EDAB C[C@H](c1cccc(F)c1)N1CCN(CCCNS(C)(=O)=O)CC1 91980731 OSRJPHAXKXTZQI-CQSZACIVSA-N 343.468 1.444 0 40 EDAB O=C(O)CCN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 69807775 QATYTDUBWCRBKC-UHFFFAOYSA-N 330.306 1.938 0 40 EDAB O=C(CNC(=O)N1CCSCC1)N1CCc2sccc2C1 69846812 SRTZRAKOSQEEQC-UHFFFAOYSA-N 325.459 1.391 0 40 EDAB COc1ccc([C@H]2CCCN2CCCN2C(=O)CNC2=O)c(OC)c1 69813904 ACIIHNZFJVUCOR-OAHLLOKOSA-N 347.415 1.783 0 40 EDAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(C)cc1 3903499 QYLMZOSCRKUEBH-LDDOYCOJSA-N 334.368 1.381 0 40 EDAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1 4065468 VYNLXJBLGPPAOY-OAHLLOKOSA-N 334.372 1.903 0 40 EDAB O=C([C@@H]1CSCN1C(=O)C1Cc2ccccc2C1)N1CCCC1 13737606 WSVJCNROPWKXNO-INIZCTEOSA-N 330.453 1.925 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)C3CC3)C2=O)cc1 18415478 UNMWKCGRAYACMI-KZULUSFZSA-N 329.400 1.677 0 40 EDAB CC(=O)c1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nc(=O)[nH]c1C 14116976 URORWRUAGVNSBS-QWRGUYRKSA-N 339.417 1.057 0 40 EDAB COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(OC)cc1 5426725 UINSQUGYGVQSCJ-LBPRGKRZSA-N 343.339 1.076 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cnc(-c2cnn(C)c2)s1 66376844 NCQQRFMCSGMASL-ZJUUUORDSA-N 333.417 1.270 0 40 EDAB Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1O 5987003 UDILXZOXNUWTFY-LLVKDONJSA-N 342.351 1.984 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 15302826 OHZVFRKVQPOXHX-RDJZCZTQSA-N 345.443 1.015 0 40 EDAB CN(C)c1nc(N)nc(CN(Cc2ccccc2)C[C@H]2CCCO2)n1 83169195 RZWRFSJBSKCRIE-OAHLLOKOSA-N 342.447 1.701 0 40 EDAB COc1cccc(-c2noc(CN3C(=O)C(=O)N(C(C)C)C3=O)n2)c1 8275188 ARLQYHJTKNKSNC-UHFFFAOYSA-N 344.327 1.444 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)Cn2c(=O)oc3ccccc32)c1 70039730 VFYZXIJXCPMRMU-CQSZACIVSA-N 340.383 1.791 0 40 EDAB CN(Cc1ccncc1)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1 69418890 MOLBPZWXAZVKLD-UHFFFAOYSA-N 337.376 1.864 0 40 EDAB Cn1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1=O 69406896 IKKMFKRMHBBMID-UHFFFAOYSA-N 332.791 1.396 0 40 EDAB O=C1CCCc2cc(NC(=O)NCCN3CCOCC3)ccc2N1 71799365 VNXRROBLSWUFHE-UHFFFAOYSA-N 332.404 1.415 0 40 EDAB O=C(Nc1cc(F)c(Br)cc1F)N(CCO)CCO 97032406 BTNVWQVGCYKVJX-UHFFFAOYSA-N 339.136 1.546 0 40 EDAB CCC[C@H](NCC(=O)N1CCNC(=O)C1)c1ccc(F)cc1F 96492309 KRNLJRBQOSIPSV-AWEZNQCLSA-N 325.359 1.354 0 40 EDAB CS[C@@H]1CCCC[C@@H]1NCc1cnc(N2CCN(C)CC2)nc1 97015953 SHYILRSBJUALSQ-JKSUJKDBSA-N 335.521 1.992 0 40 EDAB CN1CCN(C2CCN(Cc3nc(N)c4ccccc4n3)CC2)C1=O 71879604 GBRLQAXASIYVEJ-UHFFFAOYSA-N 340.431 1.544 0 40 EDAB Cc1ccc([C@H]2C[C@H]2C(=O)NCC2(C(N)=O)CCOCC2)cc1C 71836375 IPYOKXZFBCPYCD-HZPDHXFCSA-N 330.428 1.805 0 40 EDAB O=C(Cc1csc(-c2ncccn2)n1)N1CCN2CCCC[C@@H]2C1 71839732 FXROBLVEQJRQHF-CQSZACIVSA-N 343.456 1.839 0 40 EDAB O=C(CCCOc1ccccc1)N1CCC[C@H](N2CCNC2=O)C1 71830607 JEDRYCRUEULSLB-HNNXBMFYSA-N 331.416 1.862 0 40 EDAB NC(=O)CN1CCCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 71829381 LFDXEAIPCMDYDI-UHFFFAOYSA-N 344.242 1.556 0 40 EDAB COc1cc(C(C)=O)ccc1O[C@H]1CCN(c2cnn(C)c2)C1=O 72277625 DZOQYCZFJSYKQF-HNNXBMFYSA-N 329.356 1.816 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCc2nn(C)c(=O)cc2C1 72302373 OOSFLHKHKQNWPX-CYBMUJFWSA-N 338.411 1.116 0 40 EDAB CS(=O)(=O)CC1(CC(=O)NCc2ccc(-n3cncn3)cc2)CC1 72309542 ZFQROJVRJOHLMR-UHFFFAOYSA-N 348.428 1.098 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cnc(Cc2ccccc2)s1 84544504 USIMYRVZDGFSFW-GFCCVEGCSA-N 336.438 1.651 0 40 EDAB O=C1CN(CC(=O)N[C@H](c2ccccc2)c2cccs2)CCN1 84525058 YFGIZLFNCHNYNU-QGZVFWFLSA-N 329.425 1.386 0 40 EDAB COC(=O)c1ccc(CN(C)Cn2nc3n(c2=O)CCCCC3)cc1 95349864 UXOLGISSUTYOIF-UHFFFAOYSA-N 344.415 1.647 0 40 EDAB C[C@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)C(=O)N1CCSCC1 95397477 NQNOQAYEEJDAJT-NSHDSACASA-N 349.431 1.930 0 40 EDAB CCN(C(=O)CCn1nc2ccccn2c1=O)c1ccc(OC)nc1 95394696 DETISKDOCMKDST-UHFFFAOYSA-N 341.371 1.343 0 40 EDAB CC1(C)OC[C@H](CNC(=O)COc2ccc3ccc(=O)oc3c2)O1 84673856 QGPPOOKMSVQPQZ-ZDUSSCGKSA-N 333.340 1.440 0 40 EDAB O=S(=O)(CC[C@H]1CCCO1)N1CCN(Cc2ccco2)CC1 95415191 QGVXLMKGCHPHIC-CQSZACIVSA-N 328.434 1.296 0 40 EDAB CCOc1cc(CNCCC(N)=O)cc(Br)c1OC 95452869 CUIMMDYCXVMRBG-UHFFFAOYSA-N 331.210 1.821 0 40 EDAB COC(=O)[C@@H](N[C@H](C(N)=O)C(C)C)c1ccc(Br)cc1 95960191 UQRSAROBFPHVOK-RYUDHWBXSA-N 343.221 1.763 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@@H](O)C1 74479574 CQLKUPWJNCNMDH-SJLPKXTDSA-N 346.475 1.363 0 40 EDAB COCc1nccc([C@H]2CCCN(Cc3nnnn3C3CC3)C2)n1 89420474 MXCLMHMLGYHYPA-LBPRGKRZSA-N 329.408 1.324 0 40 EDAB O=C([C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)N1CC(O)C1 89598109 PUSPYDDZBVBCCI-SFIVQVFOSA-N 332.444 1.397 0 40 EDAB COC[C@@H](C)N(C)C(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O 75121674 JPDIHJNCUISYIY-LLVKDONJSA-N 330.388 1.176 0 40 EDAB CC(=O)N1CC[C@H](C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)C1 75104173 NTESWQOLLKAZJU-ZDUSSCGKSA-N 332.400 1.678 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(N(C)C)nn1 75131723 ZREJAYVFZDONFC-CQSZACIVSA-N 328.420 1.870 0 40 EDAB Cc1ccc(Cc2cnc(NC(=O)[C@H]3CNC(=O)N3)s2)cc1F 89643390 IJXBQNUBMQGFBX-GFCCVEGCSA-N 334.376 1.801 0 40 EDAB O=C(Cc1ccc(OC(F)(F)F)cc1)NCC1(O)CCOCC1 75229525 RZHDOFIVDBHBDN-UHFFFAOYSA-N 333.306 1.785 0 40 EDAB NC(=O)COCCNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 89783284 QROYTHPJZUWEKZ-NWDGAFQWSA-N 341.205 1.171 0 40 EDAB O=C1NC[C@@H](C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)N1 89814044 VUYVERVCUSVPLU-ZDUSSCGKSA-N 346.774 1.170 0 40 EDAB CC(C)OCC[C@@H]1CCCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 89887829 WFNBCOGXMUPTFK-KGLIPLIRSA-N 332.466 1.553 0 40 EDAB CCN(CCNC(=O)N1CCN(c2ncccc2F)CC1)C(C)C 89969203 ZNKHIEBSPVKYPL-UHFFFAOYSA-N 337.443 1.783 0 40 EDAB CN(C)CCn1cc(NC(=O)N2CCC(c3ccn(C)n3)CC2)cn1 1548453623 AJMFMFCRPUMXHX-UHFFFAOYSA-N 345.451 1.590 0 40 EDAB Cn1nc(C(=O)NC2(C(=O)O)CCCCC2)c2ccccc2c1=O 60796911 HXLXTERHBAGDJB-UHFFFAOYSA-N 329.356 1.451 0 40 EDAB CCNC(=O)NC[C@H]1CC[C@]2(COCCN(Cc3cccnc3)C2)O1 306132642 LOHMUXXZTJGBMA-AEFFLSMTSA-N 348.447 1.151 0 40 EDAB CCN(CC(=O)NCc1nnc(C)n1C)Cc1ccc(Cl)cc1 79099466 BRMPTAJNTBHKEH-UHFFFAOYSA-N 335.839 1.915 0 40 EDAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2CC(N)=O)n1 72360955 OQJGWQLCVMZNMF-CQSZACIVSA-N 326.404 1.854 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NCc2ccncc2)[C@@H]1O)Nc1ccccc1 77265479 SEELGWZNYHCZKQ-ZACQAIPSSA-N 342.399 1.121 0 40 EDAB biogenic,in-vitro COCCS(=O)(=O)N1CCN([C@H](C)c2ccccc2F)CC1 79097914 VYZHJYJSEDGUIX-CYBMUJFWSA-N 330.425 1.481 0 40 EDAB Cn1cnc(S(=O)(=O)N(Cc2ccccn2)C2CC2)c1Cl 37984294 JEIRLGLNXHWWNQ-UHFFFAOYSA-N 326.809 1.822 0 40 EDAB C[C@@H](NC(=O)C[C@H]1CCc2ccccc2C1)C(=O)N1CCOCC1 78986506 JPISEKGYULXOQT-CABCVRRESA-N 330.428 1.545 0 40 EDAB O=C(CN1CCC[C@H](c2nc(O)n[nH]2)C1)Nc1nc2c(s1)CCC2 566701457 CEGIDWXXMQPWMW-VIFPVBQESA-N 348.432 1.274 0 40 EDAB NCC(=O)N(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 79393002 WFUMRLFJPYLNPZ-MRXNPFEDSA-N 345.443 1.985 0 40 EDAB Cc1nn(C)c2cnn([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)c12 41123786 DOXQYGUXZOLNIB-NSHDSACASA-N 341.371 1.684 0 40 EDAB CCn1nc(C(=O)OCc2cncc(Br)c2)ccc1=O 78876104 MAGRWNSQBWWAKL-UHFFFAOYSA-N 338.161 1.778 0 40 EDAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC=C(C)C3)cc2CC1 225450078 PVFGNMILXWGALW-UHFFFAOYSA-N 348.468 1.974 0 40 EDAB O=S(=O)(NC[C@@H](O)c1ccncc1)c1c(F)cccc1Cl 133140926 ZUKHHADYJKLKAV-GFCCVEGCSA-N 330.768 1.886 0 40 EDAB O=C(CCOC1CCOCC1)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 195536845 COSXFBHPPHZKTI-JFIYKMOQSA-N 336.476 1.905 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)Nc2cc(C(=O)O)cs2)CC1 568948063 NEEAMTNBLADSAI-UHFFFAOYSA-N 325.390 1.778 0 40 EDAB COc1ccc(NC(=O)[C@]23C[C@@H]2CCN(C)S3(=O)=O)cc1OC 225953271 KBVNOPOAQGRCNV-BONVTDFDSA-N 340.401 1.066 0 40 EDAB CCN1C(=O)COc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc21 227161975 VVMLJLCJDAYKCU-LBPRGKRZSA-N 338.429 1.853 0 40 EDAB COc1cccc(Cn2c(=O)[nH]c3cc(C(=O)O)ccc3c2=O)c1 40478872 CLXJYWCAVIAEJV-UHFFFAOYSA-N 326.308 1.445 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@H](Oc2cccnn2)C1 225454050 CKBCKFWMCGLFDI-XJKSGUPXSA-N 341.367 1.686 0 40 EDAB Cn1nccc1CN[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 190475260 UTLRFRPXPAXMLS-MRXNPFEDSA-N 334.370 1.979 0 40 EDAB O=C(c1ncccn1)N1CCC2(CC1)C[C@@H](Oc1cccnc1)CO2 96106748 PEIVZVCOAXXQSS-OAHLLOKOSA-N 340.383 1.714 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N2CC(=O)N(CC(F)(F)F)C2)s1 330312553 WNXWIPHVNJVSOF-UHFFFAOYSA-N 342.364 1.718 0 40 EDAB CN1CC[C@@H](CNC(=O)NCC[C@@H]2CCCO2)[C@@H]1c1cccnc1 583623192 WYEMLAUXPDNEHV-ULQDDVLXSA-N 332.448 1.943 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)c2coc(C3CCC3)n2)[C@@H]1c1ccnn1C 583621075 YLRLIQQEOPGQRH-IAQYHMDHSA-N 343.387 1.377 0 40 EDAB CC(=O)c1cn(CC(=O)N2CCC(OCC3CCCC3)CC2)nn1 582341459 YSPJSTPKGXUDAQ-UHFFFAOYSA-N 334.420 1.679 0 40 EDAB COC[C@@H]1c2c(cnn2C)CCN1S(=O)(=O)Cc1ccccc1 96197717 TYXYOUSYMUNEAL-OAHLLOKOSA-N 335.429 1.496 0 40 EDAB CCc1ccc(OC[C@@H](O)CN2CCc3ncnc(OC)c3C2)cc1 97202081 KBLDAILRVYHBGV-HNNXBMFYSA-N 343.427 1.846 0 40 EDAB COc1ncccc1CN1CC[C@@H]2[C@@H](CO[C@H]2CNC(=O)C2CC2)C1 96185303 FUIYRSZKTSADCC-ZACQAIPSSA-N 345.443 1.453 0 40 EDAB CC(C)(C)N1C[C@@H](C(=O)N2CCNC[C@H]2c2ccncc2)CC1=O 333323339 UVLXPHDFOKJLES-GJZGRUSLSA-N 330.432 1.202 0 40 EDAB Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)c1ccncc1 96098604 PJXNBQQRQHSZLF-UHFFFAOYSA-N 326.404 1.493 0 40 EDAB CN(C[C@@H](O)Cn1cccn1)[C@@H]1CCCN(c2ccccc2)C1=O 96406641 YUWHDRPPDSYFGO-IAGOWNOFSA-N 328.416 1.371 0 40 EDAB CN(C)CCOC[C@@H]1CN(C(=O)CC2CCCC2)Cc2nnn(C)c21 96198530 MFDOIPMVENURGJ-HNNXBMFYSA-N 349.479 1.399 0 40 EDAB CO[C@](C)(C(=O)NC[C@H](CO)Cc1cnn(C)c1)c1ccccc1F 582801297 SHYFWYNGFSPTCM-KDOFPFPSSA-N 349.406 1.388 0 40 EDAB CN1CCO[C@H](C(=O)NCCNc2cccc(Br)c2)C1 96497185 JTXVHVNETJGQQS-ZDUSSCGKSA-N 342.237 1.308 0 40 EDAB CN(CCc1cccs1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 96440408 MYPAWSPUWVFGCH-ZDUSSCGKSA-N 333.461 1.944 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N(CCc2cccc(F)c2)C2CC2)CCO1 96428016 JNPXLQJDRZEVTA-CYBMUJFWSA-N 342.436 1.798 0 40 EDAB CN1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@H]1c1ccc(F)c(F)c1 95449226 MCPRXUOZVXWPJQ-DOTOQJQBSA-N 347.365 1.839 0 40 EDAB CCOC(=O)c1sc(NC(=O)[C@H]2CCOC2)c(C(=O)O)c1C 1591425397 DCZHRXCREWCIRS-QMMMGPOBSA-N 327.358 1.906 0 40 EDAB Cc1nc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCO3)C2)cs1 96038836 ODFMBZKGODWROO-GDBMZVCRSA-N 337.445 1.596 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(c1ccncn1)C2 96238231 MCCCEXJTIRMGOK-MRXNPFEDSA-N 329.429 1.466 0 40 EDAB COCCN1CC[C@@]2(COCCN(C(=O)c3ccncc3F)C2)C1 96202011 HOGFXWXYVYAPRL-QGZVFWFLSA-N 337.395 1.032 0 40 EDAB Cn1cc(CNC[C@H]2OCCc3cn(Cc4ccccn4)nc32)cn1 96086890 ZDLHCRKKNYLPDL-QGZVFWFLSA-N 338.415 1.464 0 40 EDAB COC[C@]12COC[C@H]1CN(C(=O)c1cn3cc(Cl)ccc3n1)C2 96108660 QKQITHGTLDYYIX-BDJLRTHQSA-N 335.791 1.723 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cccc(-n2cccn2)c1 96409639 VXKWHOPIJFYMEY-ZIAGYGMSSA-N 343.431 1.975 0 40 EDAB Cc1ccc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc1 96344704 MGJYTSWWKVUQNJ-CQSZACIVSA-N 338.367 1.859 0 40 EDAB COc1cccc(C(=O)NCc2nc(C)cc(N(C)C)n2)c1OC 96120951 QGGIWWRHVVGWPJ-UHFFFAOYSA-N 330.388 1.798 0 40 EDAB CNC(=O)CN1CCOC[C@]2(CCCN(Cc3cccs3)C2)C1 96049477 JCVPFMXOUAFIIZ-KRWDZBQOSA-N 337.489 1.409 0 40 EDAB COC(=O)c1cc(I)c(Cl)nc1C=O 96511179 CLOYBTXFIKSWTD-UHFFFAOYSA-N 325.489 1.939 0 40 EDAB O=C(NCC(=O)N1CCc2ccccc2[C@H]1CO)c1cccs1 97097730 UFJWCCPDLAUSCK-CQSZACIVSA-N 330.409 1.596 0 40 EDAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1cccnc1 96114130 ARPCNKAJJQYENL-HNNXBMFYSA-N 336.351 1.891 0 40 EDAB biogenic CC(C)c1nnc2n1C[C@H](NCc1cnc(N3CCCC3)nc1)CC2 97199470 YTUSNHWXKADDPA-OAHLLOKOSA-N 341.463 1.896 0 40 EDAB C[C@@H]1COCCN1CCN(C)[C@H]1CCN(Cc2ccccc2)C1=O 249580528 NGNDWUSRGRRUGW-AEFFLSMTSA-N 331.460 1.440 0 40 EDAB Cc1ccc(N2CC3(C2)OCC[C@H]3COCC(=O)N2CCCC2)nn1 247948615 XQELSRZTFZGSGR-HNNXBMFYSA-N 346.431 1.019 0 40 EDAB Cc1cc(CN2CC3(C2)OCC[C@@H]3COCc2ccncc2)n(C)n1 248073613 YCLJGYSBZBVJKN-QGZVFWFLSA-N 342.443 1.931 0 40 EDAB C1CC(COC[C@@H]2CC[C@H]3[C@H](CCN3[C@@H]3CCOC3)O2)CCO1 247826300 FZOQGJXJYUWEGL-OWSLCNJRSA-N 325.449 1.840 0 40 EDAB O=C(NC[C@H]1CCCO1)c1cnc(I)c(O)c1 585089298 BYVKYVFHMHOANX-MRVPVSSYSA-N 348.140 1.301 0 40 EDAB COc1cccc(-n2cc(NS(=O)(=O)CCCCF)nn2)c1 585129848 YUESZEAQKQLGRH-UHFFFAOYSA-N 328.369 1.767 0 40 EDAB COCCn1cc(NC(=O)C[C@H](O)COCc2ccccc2)cn1 585129185 AQLYSOROJQLWEQ-INIZCTEOSA-N 333.388 1.436 0 40 EDAB CNC(=O)c1cnc(C2(C)CCN(C(=O)c3cncnc3)CC2)s1 257257414 KPMTWTDCZCWIBJ-UHFFFAOYSA-N 345.428 1.487 0 40 EDAB Cc1c(CCC(=O)N2CCC[C@H](Cc3nccnc3N)C2)cnn1C 257206801 BEXVDLUKCBJKTC-CQSZACIVSA-N 342.447 1.515 0 40 EDAB Cc1cccnc1CN1CCC[C@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257242267 IBSORHVNKQFAMU-CQSZACIVSA-N 348.472 1.971 0 40 EDAB Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@H]32)nn1 257261036 LFMACYQIKQKSRP-QLFBSQMISA-N 326.404 1.331 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)[C@H](c2ccccc2)C1 257218194 DCEZJKUXRZGCTG-HNNXBMFYSA-N 348.428 1.014 0 40 EDAB CN1CCN(C(=O)c2cccc(Oc3ccccc3)c2)[C@@H](C(N)=O)C1 257337720 YUCSHZBTCFNIQD-QGZVFWFLSA-N 339.395 1.720 0 40 EDAB Cc1c(C(=O)N2CCN(C)C[C@H](C(N)=O)C2)[nH]c2ccc(F)cc12 257294078 QSHUNPBLSQYGIM-NSHDSACASA-N 332.379 1.105 0 40 EDAB CN(C)CCOc1cccc(C(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)c1 257280042 OJFPOPWVGQYLPB-HKUYNNGSSA-N 348.443 1.383 0 40 EDAB COc1ccc(CCN2CCN(c3nccc(OC)n3)CC2)cc1 299112314 BCPXAMBCWOGUCI-UHFFFAOYSA-N 328.416 1.859 0 40 EDAB Cc1c[nH]c([C@@H]2CN(C(=O)Cc3c(C)nc4ccccn34)CCO2)n1 257218823 DENOAMXVSFDHDP-HNNXBMFYSA-N 339.399 1.817 0 40 EDAB CC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)C[C@H](C(N)=O)C1 257269792 MRJQINRHBZNSGR-ZDUSSCGKSA-N 343.349 1.471 0 40 EDAB O=C(c1cccc(F)c1)N1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 257297467 RHIYCNPLTFUWCO-HOTGVXAUSA-N 348.374 1.057 0 40 EDAB O=C(NC[C@H](O)CN1CCCCC1)Nc1ccn(-c2ccccc2)n1 43621007 OPFUXCLXXKXPEB-INIZCTEOSA-N 343.431 1.841 0 40 EDAB COc1c2c(c(CNC(=O)C3CCC3)c3c1C(=O)N(C)CC3)OCO2 604404075 BPBIYIIIPZGBAX-UHFFFAOYSA-N 346.383 1.468 0 40 EDAB biogenic O=C(Nc1cnc(O)nc1O)[C@@H]1CCCN1c1nc2ccccc2o1 390825888 MLKFWWLTVFOBTE-NSHDSACASA-N 341.327 1.637 0 40 EDAB Cn1cc([C@@H](O)CNS(=O)(=O)c2cccnc2)c2ccccc21 96096477 GYVRGYJHLPWSPJ-INIZCTEOSA-N 331.397 1.585 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccnc1 575402393 CFKHSLCZMNNVTD-FVQBIDKESA-N 343.427 1.475 0 40 EDAB COc1nc(CNC(=O)[C@H](C)Oc2ccccc2)nc(N(C)C)n1 575603243 BHUGHPOERDGBED-NSHDSACASA-N 331.376 1.030 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)N[C@@H](Cc1ccncc1)C(=O)O 655602279 YTQGSZBHLFUFNM-AWEZNQCLSA-N 342.351 1.207 0 40 EDAB CN(C)CCC(=O)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 585093692 HLFFKWNBURBWQK-INIZCTEOSA-N 333.432 1.310 0 40 EDAB COc1cc(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)ccn1 585277456 UWBLBBHAZDSSMP-SFHVURJKSA-N 328.368 1.746 0 40 EDAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3cccn(C)c3=O)C2)n1 585147371 UIGJSGNSHFGSIX-AWEZNQCLSA-N 342.399 1.476 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2ccsc2)[C@@H]2CCO[C@@H]12 585109263 FLNQQLFZVZIADB-KFWWJZLASA-N 346.408 1.887 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)C2(c3ccccc3)CCCC2)[C@@H]1O 585286021 HOUVECDFKKLQML-OIISXLGYSA-N 333.428 1.637 0 40 EDAB O=c1cc(C2CC2)ncn1CC1CCN(CC2(O)CCOCC2)CC1 585628147 FONOHIGWKAFUAV-UHFFFAOYSA-N 347.459 1.374 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@H](CN)C2)c(Br)c1 50246696 XDDYKYRIHZXRGB-SNVBAGLBSA-N 333.251 1.727 0 40 EDAB CCCCN(C)c1ncc(Cl)c(C(=O)N2CC[C@H](C(N)=O)C2)n1 56877287 LDOWYKZEVDSFRG-JTQLQIEISA-N 339.827 1.314 0 40 EDAB CS(=O)(=O)CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 62092811 UPYQYMVYKUZDSE-UHFFFAOYSA-N 330.837 1.423 0 40 EDAB O=C(c1cc(=O)c2ccccc2o1)N1CCN(C[C@@H](O)C2CC2)CC1 85436674 MHSQFBAXDKBWQK-MRXNPFEDSA-N 342.395 1.322 0 40 EDAB Cc1ccc(CCNC(=O)c2cc(C)ccc2S(N)(=O)=O)cc1 95453447 YXVAZZSKADZXCW-UHFFFAOYSA-N 332.425 1.923 0 40 EDAB O=C(Cc1ccon1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 95976933 DGJVTZVJHQEBMC-NVXWUHKLSA-N 329.400 1.216 0 40 EDAB NC(=O)C[C@@H]1CN(C(=O)c2ccncc2)CC[C@H]1Oc1cccnc1 1615192429 RUSWQLBKILACNT-GDBMZVCRSA-N 340.383 1.262 0 40 EDAB COc1ccccc1CNC(=O)C[C@H]1CSc2nccc(=O)n21 12236180 YACFYBUWXJBIQH-LBPRGKRZSA-N 331.397 1.605 0 40 EDAB COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CC(C)C)C3)cc1OC 12346518 GNGCHISJLJRGJX-MRXNPFEDSA-N 345.399 1.810 0 40 EDAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 15746596 GYSZDHKATPXQEB-FXUDXRNXSA-N 348.374 1.353 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)Nc2nc3ccccc3[nH]2)CC1 17304306 MEOQFSVWXOLPOT-UHFFFAOYSA-N 336.417 1.563 0 40 EDAB O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1cccnc1)CC2 19339596 HTFRUOIEOZVPMS-UHFFFAOYSA-N 325.416 1.366 0 40 EDAB CN1C[C@H](C(=O)N2CCC(c3cc4ncccc4cn3)CC2)CC1=O 19587187 OMWGWBBDCLAJOW-OAHLLOKOSA-N 338.411 1.814 0 40 EDAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC[C@@H](n2ccnn2)C1 206927477 ZOFQMGHNENXCFE-CQSZACIVSA-N 340.362 1.905 0 40 EDAB O=C(NCCCN1CCOCC1)c1ccnc(OC2CCCC2)c1 244986205 JKHZUWYBFNOUCV-UHFFFAOYSA-N 333.432 1.855 0 40 EDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)C5CCCC5)C[C@H]4C3)nn12 1888844590 MBUTVEPGMOLGRJ-GASCZTMLSA-N 340.431 1.518 0 40 EDAB CCN=c1cc(C)nc(N2CCN(Cc3c(C)noc3C)CC2)[nH]1 1889098181 USMYATDWWYPHFG-UHFFFAOYSA-N 330.436 1.566 0 40 EDAB Cn1c(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)nc2cccnc21 1889118402 BNFPFZIGCWWSRX-LLVKDONJSA-N 335.433 1.019 0 40 EDAB O=C(CCc1c(F)cccc1Cl)N1CC(N2C(=O)COC2=O)C1 238867517 MCRCSXBTSFVCCL-UHFFFAOYSA-N 340.738 1.601 0 40 EDAB CCc1cnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 2086968332 HRRPFKNMKOPBFQ-UHFFFAOYSA-N 332.429 1.550 0 40 EDAB O=C(c1csnn1)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 1565545145 ARUVYMVGHQXXCG-MRXNPFEDSA-N 343.412 1.592 0 40 EDAB Cc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n(N)c1=O 8141609 BZRWLJVJGJGIHH-UHFFFAOYSA-N 343.771 1.184 0 40 EDAB CC(=O)N[C@]1(C(F)(F)F)NC(=O)N(c2cccc(C)c2C)C1=O 9420448 ZDCKFKSGUHJDDK-ZDUSSCGKSA-N 329.278 1.754 0 40 EDAB CCn1nc(C)c(CN(C)C(=O)c2cc3c(=O)[nH]c(C)cn3n2)c1C 206646687 KVENXELPTRPRRA-UHFFFAOYSA-N 342.403 1.436 0 40 EDAB O=C(NCc1ccco1)C(=O)NCC1CCN(c2ccccn2)CC1 43941340 BNXTVNFIZPHDGX-UHFFFAOYSA-N 342.399 1.324 0 40 EDAB C[C@@H](N)C(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 248378385 JJGKMUOINUOBSS-SNPRPXQTSA-N 328.416 1.268 0 40 EDAB Cn1ccc(CN2CCC(Oc3ccn4nccc4n3)CC2)cc1=O 2298066461 IOGDJMJPKWLZHV-UHFFFAOYSA-N 339.399 1.471 0 40 EDAB CN(C)c1ccnc(N2CCC(C(=O)N3CCSCC3)CC2)n1 2298187942 JIJRPZLRKSYQOY-UHFFFAOYSA-N 335.477 1.334 0 40 EDAB O=c1cc(CO)oc([C@@H](Nc2ncccn2)c2ccc(F)cc2)c1O 38255 KCXADROKGXQEOT-AWEZNQCLSA-N 343.314 1.968 0 40 EDAB biogenic O=C(NCc1ccc(F)cc1)C(=O)NC[C@@](O)(c1ccco1)C1CC1 75154983 YAKULMRWDXIXCI-SFHVURJKSA-N 346.358 1.449 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)Cc2ccccc2)cc1 75170513 UKOUJVOGHNXCMZ-OAHLLOKOSA-N 349.408 1.355 0 40 EDAB CCOC(=O)C1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 40459231 JRDMINNAWOHJFJ-OAHLLOKOSA-N 325.380 1.841 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NC[C@@H]1CCCO1)=N[C@@H]2[C@H]1CC=CCC1 101264288 PDDQUYJKJXKOPI-DZKIICNBSA-N 343.431 1.957 0 40 EDAB O=C(CCC(=O)c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 17636156 CZOSEWKAWMYDLQ-GFCCVEGCSA-N 329.805 1.606 0 40 EDAB Cc1ccccc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O 289705 WKCGYBJSPACPFE-UHFFFAOYSA-N 333.413 1.472 0 40 EDAB Cc1cc(C)n(-c2ccc(CC(=O)N3CC[C@H](C(N)=O)C3)cc2)n1 41129255 WEAPZGFWMYOOQZ-HNNXBMFYSA-N 326.400 1.365 0 40 EDAB CCNC(=O)NC(=O)CSc1nnc(-c2ccc(OC)cc2)o1 3516656 IEHDOVKVOPCRNL-UHFFFAOYSA-N 336.373 1.683 0 40 EDAB O=C(Nc1ncccn1)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 4487150 SUNAOIPNQIXSKE-UHFFFAOYSA-N 326.356 1.810 0 40 EDAB CN(C)CCNC(=O)CCCCCN1C(=O)c2ccccc2C1=O 4537115 KLLIEMXIOSWUSE-UHFFFAOYSA-N 331.416 1.521 0 40 EDAB CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O 4713653 OJRFNXGMICVJAG-RYUDHWBXSA-N 329.441 1.552 0 40 EDAB O=C(CCCCC(=O)N[C@@H]1CCCC[C@@H]1O)N[C@H]1CCCC[C@@H]1O 6261914 SJGRLYPQEVOQDD-FZKCQIBNSA-N 340.464 1.386 0 40 EDAB Cc1ccccc1Cn1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)n1 6925095 ONMJLDCACDZQAE-MDBPOYHNSA-N 337.379 1.907 0 40 EDAB CCNC(=O)NC(=O)COC(=O)c1cc(Cl)c2c(c1)OCO2 8262977 GVVNHRMLZYNFEH-UHFFFAOYSA-N 328.708 1.071 0 40 EDAB CNC(=O)CNC(=O)c1cc(C2CC2)nc2onc(-c3ccco3)c12 47057065 ZFZNZGASMUPZQG-UHFFFAOYSA-N 340.339 1.836 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(Cc2nc(-c3ccoc3)no2)CC1 69893718 LMEMCXIJHIKTPS-ZDUSSCGKSA-N 347.419 1.360 0 40 EDAB O=C1CN(CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C(=O)N1 69873755 JNSFVFUUIFQISU-NSHDSACASA-N 342.355 1.086 0 40 EDAB CN(CC(=O)N1CCC[C@@H]1c1ccsc1)[C@@H]1CCS(=O)(=O)C1 47165706 XRSPUWQBRUHHCU-ZIAGYGMSSA-N 342.486 1.531 0 40 EDAB COC[C@H](C)N1CCN(C(=O)[C@H](C)Oc2cccc(C(C)=O)c2)CC1 69846633 VKRXLZOCWSVWBY-HOCLYGCPSA-N 348.443 1.836 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)CNC(=O)c3cccc(F)c3)C2)n1 97128596 INSRIABEAJQSCN-ZDUSSCGKSA-N 346.362 1.653 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)CC1 104617200 PTSYEASAIZWFBC-BYNSBNAKSA-N 337.489 1.373 0 40 EDAB CC[C@@](C)(CNC(=O)c1c(C)nn(C)c1Cl)N1CCOCC1 42775918 PKIUSZKGRNZMGT-HNNXBMFYSA-N 328.844 1.613 0 40 EDAB CN1CC[C@H](NC(=O)Nc2ccc(Br)c(F)c2)C1=O 76081764 PHMUMGIFVXAEBK-JTQLQIEISA-N 330.157 1.940 0 40 EDAB COc1cccc(CO[C@H](C)C(=O)NCc2nnc3n2CCC3)c1 42955019 OGSZSMFEJUGUHO-GFCCVEGCSA-N 330.388 1.454 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@@H]2c2noc(C)n2)ccc1=O 76043081 WKSDYFHPGBIAKK-CYBMUJFWSA-N 332.360 1.163 0 40 EDAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN(c2ncccn2)C1 106136240 GADZDKJRKWMIHL-IXDOHACOSA-N 345.491 1.930 0 40 EDAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)[C@@H]2CCCN(c3ncccn3)C2)C1 55405740 GADZDKJRKWMIHL-BRWVUGGUSA-N 345.491 1.930 0 40 EDAB C[C@@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)C[C@H]1N1CCOCC1 107057302 MOBVLEWPNVZRPM-LZQZEXGQSA-N 344.455 1.870 0 40 EDAB O=C(Cn1nc2ccccn2c1=O)N[C@H]1CCc2c(Cl)cccc21 56338067 VCEGCHFTBFOAIU-AWEZNQCLSA-N 342.786 1.953 0 40 EDAB C[C@@H](c1nc2ccccc2s1)N(C)Cc1cc(=O)n(C)c(=O)n1C 56677729 KYEPMECUUBGKTO-NSHDSACASA-N 344.440 1.887 0 40 EDAB O=C(NCc1cccc2cccnc12)NC[C@@H]1CN2CCC[C@H]2CO1 107496799 CECAUGFBYKFJHC-DLBZAZTESA-N 340.427 1.897 0 40 EDAB O=C(NCCCCN1CCOCC1)N[C@H]1CCOc2ccccc21 47866680 VFLJVGDSAUOQSJ-INIZCTEOSA-N 333.432 1.922 0 40 EDAB CN(C)c1ccc(NC(=O)CSc2nnc(C3CC3)n2N)cc1 3273503 NOZZABMMHZEYBI-UHFFFAOYSA-N 332.433 1.666 0 40 EDAB COc1ccc([C@@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)cc1 57406601 FWSOBTCFQHYWNZ-INIZCTEOSA-N 329.400 1.430 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cccnc2N2CCCCC2)CC1 69920801 CETCJBLQUZDJJV-INIZCTEOSA-N 346.475 1.601 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 69917531 PTIHAUUUJFAVAL-TZMCWYRMSA-N 336.461 1.480 0 40 EDAB Cc1nnc(NC(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)s1 58023567 QSMWJRHZDBFDQQ-LOWVWBTDSA-N 339.465 1.952 0 40 EDAB Cc1cc(C)n2nc(C)c(C(=O)N3CCC[C@@H](n4cncn4)C3)c2n1 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Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCSCC1 44955012 ZKZWTIGICGLUAY-AWEZNQCLSA-N 335.408 1.480 0 40 EDAB Cc1cccc(OCCNC(=O)[C@H](C)S(=O)(=O)c2ccccn2)c1 44946883 XEAMABQEBIEPGV-AWEZNQCLSA-N 348.424 1.747 0 40 EDAB COc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1OC(F)F 58306177 DFHKJXUQUUCQFK-NSHDSACASA-N 330.331 1.357 0 40 EDAB COc1cc(F)ccc1NS(=O)(=O)c1cccc(-n2cnnn2)c1 58342551 HTASNTAKNQWJQP-UHFFFAOYSA-N 349.347 1.611 0 40 EDAB OCCn1nccc1C1CCN(Cc2nc(-c3ccco3)no2)CC1 58311005 DQHNABIGMIURLJ-UHFFFAOYSA-N 343.387 1.898 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)N1CCC(n2cncn2)CC1 78729446 GERQPAQWJOWGLE-UHFFFAOYSA-N 343.387 1.596 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](N)C1 36296989 VMLHCHUEKHXAKU-LLVKDONJSA-N 333.251 1.869 0 40 EDAB Cc1cc(C)n2nc(C(=O)NC[C@H](C)N3CCC[C@H](C)C3)nc2n1 48230338 FTRXFNRAZZIGFM-FZMZJTMJSA-N 330.436 1.591 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)N[C@H](C)CN1CCOCC1)CO2 48221375 HHWMSCIIJFWXQI-CQSZACIVSA-N 346.427 1.698 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2ccnc(-n3ccnc3)c2)C1 48314810 NYHYNTAGKCYVHS-MRXNPFEDSA-N 343.431 1.354 0 40 EDAB COc1cccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 3407649 SFCBTLGOFIYFGQ-UHFFFAOYSA-N 345.355 1.367 0 40 EDAB CC(C)CN1C(=O)C(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 3454398 KYPYECGMJSTGRI-UHFFFAOYSA-N 343.383 1.018 0 40 EDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)NCCNc1ccccn1 13250120 RQYOUTBWDIMXEX-UHFFFAOYSA-N 335.385 1.479 0 40 EDAB N=C(N)NC1=NC(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)S1 13693723 PHBMNVWLMNVRIM-QMMMGPOBSA-N 343.771 1.289 0 40 EDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nncn1C 6063594 CGRJVUTWHPUDPN-GFCCVEGCSA-N 347.444 1.667 0 40 EDAB Cc1cccc(N2CN=c3s/c(=C\c4ccccn4)c(=O)n3C2)c1 6174132 JCYILMVYZGSHJL-YBEGLDIGSA-N 336.420 1.497 0 40 EDAB CCN1C(=S)N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@@H]21 8993642 KJICILMITGQIRS-RYUDHWBXSA-N 330.862 1.932 0 40 EDAB Cc1ccc(N2N=C(C(=O)N[C@H](C)c3ccccn3)NCC2=O)cc1 65434999 VLCPYYGCUJGZLX-CYBMUJFWSA-N 337.383 1.517 0 40 EDAB Cc1ccc(-c2ccnc(N3C[C@H](O)[C@@H](N4CCCC4)C3)n2)c(C)n1 71746798 ABXKORMBIYCYBX-ROUUACIJSA-N 339.443 1.801 0 40 EDAB Cc1ccc(CC(=O)N2CCN(C(=O)NC[C@H]3CCCO3)CC2)cc1 71186336 MBJSRXQSRLRZIB-QGZVFWFLSA-N 345.443 1.570 0 40 EDAB O=C(NCCCC(=O)N1CCN(C2CC2)CC1)c1ccc(F)cc1 65564100 GENXXPHWLVLIAT-UHFFFAOYSA-N 333.407 1.642 0 40 EDAB Cc1ccc(OCCN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1 14136859 ZNAOGXYXRGVXIF-ZDUSSCGKSA-N 330.436 1.900 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 5471653 RGTJJYGNIVFGHX-UHFFFAOYSA-N 347.419 1.620 0 40 EDAB O=C(COC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)NC1CC1 9156512 LBCRYXMDJCPIRA-UHFFFAOYSA-N 343.339 1.283 0 40 EDAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)C1CC1 9134027 GOMOOLQFVMABTB-AWEZNQCLSA-N 341.289 1.523 0 40 EDAB COC(=O)c1ccc(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 9114055 ONXRHHKYOWZMCU-MRXNPFEDSA-N 339.347 1.871 0 40 EDAB Cn1cc(C(N)=O)c(NC(=O)c2ccc(F)cc2C(F)(F)F)n1 93282818 PWNQALVXJVIVOO-UHFFFAOYSA-N 330.241 1.929 0 40 EDAB NS(=O)(=O)c1cc(C(=O)NCCc2ccccn2)ccc1Cl 5939788 HEFVKCPGKIRCKH-UHFFFAOYSA-N 339.804 1.355 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1C[C@@H](N(C)C)Cc2ccccc21 67244645 UNVLRPQAGNCKPX-AWEZNQCLSA-N 335.429 1.973 0 40 EDAB Cc1noc2nc3c(c(C(=O)NCC[C@H]4CN(C)CCO4)c12)CCC3 67821899 SPLBLZTVMGPXEC-LBPRGKRZSA-N 344.415 1.470 0 40 EDAB Cc1nc(C)c(CCC(=O)NCc2cn3c(C)cccc3n2)c(=O)[nH]1 68569178 HRQPYQHFMMXUGI-UHFFFAOYSA-N 339.399 1.592 0 40 EDAB O=C(CCc1nc2ccccc2o1)N1CCN(c2ncccn2)CC1 7986881 IEMPHVMFUVQUOV-UHFFFAOYSA-N 337.383 1.899 0 40 EDAB CC(C)NC(=O)CN(C)CC(=O)NC(=O)NCCC1=CCCCC1 7923957 XRHOHEDZRPOSQD-UHFFFAOYSA-N 338.452 1.159 0 40 EDAB Cc1noc(C)c1CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 7988080 QKAYKFRBOAXKIC-ZDUSSCGKSA-N 328.434 1.506 0 40 EDAB CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@H]2CCC(=O)N2)cc1 70017922 XFERJCXPFLHIIG-AZWQULSGSA-N 331.372 1.663 0 40 EDAB CCn1ccnc1CN1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 69444525 VDNFESLBWBTXNR-KRWDZBQOSA-N 345.422 1.386 0 40 EDAB Cc1noc(C)c1CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 69566909 BHAIAUCGAIFEGE-AWEZNQCLSA-N 337.445 1.999 0 40 EDAB CCN(Cc1ccoc1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 69699477 BRWOKZJGGSVBPW-UHFFFAOYSA-N 343.449 1.483 0 40 EDAB COc1ccc(-n2cnnc2SCC(=O)NCc2ccco2)cn1 69617572 FOZHSSXXDULLEB-UHFFFAOYSA-N 345.384 1.672 0 40 EDAB O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC[C@@H](O)C1 71897832 NWKPZHLCDXIVKE-GOSISDBHSA-N 331.460 1.572 0 40 EDAB CC(=O)CCc1ccc(OC[C@H](O)CN2C(=O)C[C@H](C)C2=O)cc1 72312485 PDSDCSUJYDUZAO-SWLSCSKDSA-N 333.384 1.343 0 40 EDAB CCc1nc(C)ncc1C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 78900554 BPVDOXVJRADFDC-NSHDSACASA-N 342.403 1.189 0 40 EDAB Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(F)nc3)C2=O)n(C)n1 72539903 BNPBSVYEHDEMSL-GFCCVEGCSA-N 331.351 1.188 0 40 EDAB O=c1ccccn1CCN1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 95360765 HMYNUASWYBPLOZ-GOSISDBHSA-N 345.418 1.339 0 40 EDAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)Cn1ncn2nccc2c1=O 95395575 UGPSQPIIHMOBJG-NSHDSACASA-N 345.790 1.292 0 40 EDAB O=C(NCC1(CO)CC1)c1nnn(-c2cccc(F)c2)c1C1CC1 95417867 VAHFRBZWLNZTMN-UHFFFAOYSA-N 330.363 1.786 0 40 EDAB O=C(NCC(=O)N1CCC[C@@H]2COCC[C@@H]21)c1cc(F)cc(F)c1 95440907 KLKHWOQRNOQXAS-ABAIWWIYSA-N 338.354 1.722 0 40 EDAB O=C(O)c1ccc(C(=O)NCc2ccc(Cn3cncn3)cc2)cc1 95424275 HJIWHPIDOFRNIA-UHFFFAOYSA-N 336.351 1.955 0 40 EDAB Cn1cc(CCCC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 79486621 WWCLPOWFIGBVBG-AWEZNQCLSA-N 334.441 1.804 0 40 EDAB CN(C(=O)NCc1ccccc1-n1ccnc1)[C@@H]1CCS(=O)(=O)C1 98033528 GERIXISSIFAIBZ-CQSZACIVSA-N 348.428 1.201 0 40 EDAB CSc1ncc(C(=O)NC[C@@H]2CCC(=O)N2)n1-c1ccccc1 74069935 PMNSULIOPVDLDQ-NSHDSACASA-N 330.413 1.603 0 40 EDAB Cc1ccc(-c2noc(N3CCN(C(=O)[C@H]4CCCO4)CC3)n2)cc1 95994682 VSFAQTONUSNBDM-OAHLLOKOSA-N 342.399 1.873 0 40 EDAB O=C(N1CCOCC1)N1CCN(Cc2cccc3[nH]ccc23)CC1 95982393 LGFIWFWUCGKNHS-UHFFFAOYSA-N 328.416 1.738 0 40 EDAB CCOc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1OC 89267858 WNWVSDZKALYDGF-ZIAGYGMSSA-N 336.432 1.621 0 40 EDAB CN(CC(=O)N[C@@H]1CCC[C@H](C2CC2)C1)c1ncnc2[nH]cnc12 89337138 ROGNZZJEEWJUBB-QWHCGFSZSA-N 328.420 1.874 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)N1CCCCC1 89473456 UKRYUABKBVVELT-LSDHHAIUSA-N 346.431 1.020 0 40 EDAB COCCN1CCC(CNC(=O)c2cc(=O)c3ccccc3[nH]2)CC1 89414344 UKXBQZCSABZOKK-UHFFFAOYSA-N 343.427 1.616 0 40 EDAB CCc1ccc(NC(=O)[C@@H](C)N(CCOC)CC(=O)N(C)C)cc1 75141993 IQBIFVZKPZLLHK-CQSZACIVSA-N 335.448 1.613 0 40 EDAB CN1CCN(C2CCN(Cc3nccn3CC(F)(F)F)CC2)C1=O 75131579 RMVIBOPUSWTTIL-UHFFFAOYSA-N 345.369 1.777 0 40 EDAB O=C(Cn1nc2n(c1=O)CCCCC2)NC1(c2cccc(F)c2)CC1 89774780 WHTYXDYYZACDQL-UHFFFAOYSA-N 344.390 1.716 0 40 EDAB Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2cn3ccnc3s2)cn1 545989653 BMZSQTBXVYUGPK-RULNZOCKSA-N 349.441 1.075 0 40 EDAB Cc1nnsc1C(=O)NCc1cccnc1N1CCC[C@@H](O)C1 39518434 ZAARWQXRXCOUOA-GFCCVEGCSA-N 333.417 1.133 0 40 EDAB O=C(c1cc2c(s1)CCC2)N1CCC[C@H](C(=O)N2CCOCC2)C1 42010756 RNBHDBGQYTXZER-AWEZNQCLSA-N 348.468 1.948 0 40 EDAB C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@@H](C)O1 23640578 YBYHGWOHSNWGTN-CHWSQXEVSA-N 331.416 1.627 0 40 EDAB CC(C)(C)c1nnc(CNS(=O)(=O)c2ccc(C(=O)O)o2)s1 516924787 YFZOMLIVRDFMEL-UHFFFAOYSA-N 345.402 1.605 0 40 EDAB Cc1c2nnn(CC(=O)Nc3ccccc3Cl)c(=O)c2nn1C 32647386 RKSYMBFMSRAUKA-UHFFFAOYSA-N 332.751 1.126 0 40 EDAB CCOc1ccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 36182842 UNPDHQHJBGYWFT-UHFFFAOYSA-N 342.402 1.696 0 40 EDAB C[C@@H](NC(=O)C(=O)NC[C@](C)(O)c1ccccc1)c1ccccc1 70639744 KGRZVNYLOAXQJH-KUHUBIRLSA-N 326.396 1.888 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)c1ccnc(N2CCN(C)CC2)c1 78998849 XBOZRIQWYKKNPR-CQSZACIVSA-N 328.416 1.787 0 40 EDAB CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1 79032175 QZIAKPZFPMGWCS-AWEZNQCLSA-N 337.420 1.125 0 40 EDAB CC(C)n1ccc(CNC(=O)N2CCCC[C@@H]2CS(C)(=O)=O)n1 568035471 QQMWWQONGASNDG-CQSZACIVSA-N 342.465 1.573 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)no1 79001618 KGQNMACMNLIXAI-HZPDHXFCSA-N 344.390 1.965 0 40 EDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)c1cccc(Br)c1 76585558 RAQVSFOYZOBLSB-QMMMGPOBSA-N 332.219 1.890 0 40 EDAB COc1ccccc1C1=NO[C@@](C)(C(=O)NCCCn2ccnc2)C1 222284928 GEXMSOFMTRUIHH-GOSISDBHSA-N 342.399 1.981 0 40 EDAB O=C(c1ccc[nH]c1=O)N1CC(c2nc(-c3cccs3)no2)C1 49483910 JVZYRVZDAWRKJI-UHFFFAOYSA-N 328.353 1.726 0 40 EDAB O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1C[C@@H](O)CCc1ccccc1 195562192 RQSHVIQSXBZLFW-HOCLYGCPSA-N 348.374 1.452 0 40 EDAB CN(CC1(N(C)C)CCC1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 195572589 LLKOGLKPXCSODY-LBPRGKRZSA-N 336.402 1.749 0 40 EDAB COc1ccc(C2(C(=O)N3C[C@@H](O)[C@H](CO)C3)CC3(CCC3)C2)cc1 575603392 DWFNTSUSXUMATJ-WMLDXEAASA-N 345.439 1.709 0 40 EDAB COc1ccc(C2=NO[C@@H](CNC(=O)c3cnccn3)C2)cc1F 225768669 SWQDWQAXGCZLEO-LLVKDONJSA-N 330.319 1.547 0 40 EDAB Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)C[C@H](C)O 190108770 YRYMKLGJCSKRIN-QMMMGPOBSA-N 340.214 1.898 0 40 EDAB O=c1nc(NC[C@H](c2cccs2)N2CCOCC2)[nH]c2[nH]ncc12 195567288 HPNUTKQKLGNDKM-LLVKDONJSA-N 346.416 1.193 0 40 EDAB O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)[C@H]1CCCOC1 96466868 XBGNEXKLVQLGRI-SJORKVTESA-N 330.428 1.620 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)S1 96443737 NACVFOJZVZODMX-NSHDSACASA-N 329.429 1.812 0 40 EDAB CN1CCCC[C@@H]1CN1CCN(C[C@H](O)COC(C)(C)C)CC1 96407749 ZZJUPGCPVMTALJ-SJORKVTESA-N 327.513 1.264 0 40 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1.474 0 40 EDAB COc1ccc([C@H](NC(=O)N2CCOCC2)c2nccn2C)cc1 27338761 XHBSAXFFTMQEQE-HNNXBMFYSA-N 330.388 1.560 0 40 EDAB O=C(c1nccn2ccnc12)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 102695867 FSYAADNGAMIQOG-KFWWJZLASA-N 325.416 1.676 0 40 EDAB Cc1nc2ccc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cc2nc1C 44721645 SNNJUXOQFFHEAD-GFCCVEGCSA-N 333.413 1.411 0 40 EDAB C[C@@H]1CN(C[C@H](O)Cn2nc(-c3ccccc3)ccc2=O)C[C@@H](C)O1 71825119 BUGXATROIKSUJR-INMHGKMJSA-N 343.427 1.380 0 40 EDAB CC(=O)N1CCC(NC(=O)COCc2nc3ccccc3s2)CC1 44869683 DOYXCFTZIHHHCF-UHFFFAOYSA-N 347.440 1.940 0 40 EDAB CCc1noc(CN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)n1 83830509 TXHHHFMLNDLXMQ-JKSUJKDBSA-N 328.416 1.717 0 40 EDAB COc1ccc(-c2nc(CCNS(=O)(=O)N(C)C)co2)cc1 58357203 LCNIQCJNDAAHJR-UHFFFAOYSA-N 325.390 1.289 0 40 EDAB COc1cccc(-c2nc(CC(=O)NCC(=O)O)cs2)c1OC 36357298 DPXNUEPSBWYEJW-UHFFFAOYSA-N 336.369 1.571 0 40 EDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2nnn[nH]2)c1 12793817 JMMZKXMMQMVVNN-KRWDZBQOSA-N 348.410 1.871 0 40 EDAB CC(C)N(C)S(=O)(=O)N(C)C1CCN(c2ccccn2)CC1 69705354 WUJVRLVFTLOAFW-UHFFFAOYSA-N 326.466 1.567 0 40 EDAB O=C1NCCN1c1cccc(C(=O)N2CCC[C@H]2Cn2cccn2)c1 69740280 ZCWABUSHAYFJKU-INIZCTEOSA-N 339.399 1.718 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2ccccc2Br)CC1 69771544 CQYBLWTYJYXPFQ-UHFFFAOYSA-N 341.249 1.978 0 40 EDAB Fc1ccc([C@@H](CNc2ccc3nnnn3n2)N2CCOCC2)cc1 12855178 FUBSSCOXSICYBV-CQSZACIVSA-N 343.366 1.144 0 40 EDAB CCOC(=O)[C@H]1ON2CCc3ccccc3[C@@H]2[C@@]1(O)C(F)(F)F 12859665 OHQJJUUDLKRCPW-BZPMIXESSA-N 331.290 1.756 0 40 EDAB COc1ccccc1CNS(=O)(=O)c1cc(C(=O)O)cs1 13306748 MEWIWGVCGNCZMZ-UHFFFAOYSA-N 327.383 1.933 0 40 EDAB COC(=O)N1CCCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1 69876903 NOPUHRVKFQGTKY-OAHLLOKOSA-N 325.453 1.798 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2)CC1 69873256 VZJJXQYGWAWQAU-GFCCVEGCSA-N 346.349 1.766 0 40 EDAB C[C@@]1(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)CC1(Cl)Cl 5031592 XLAUYQVOMUZVRU-ZDUSSCGKSA-N 345.182 1.851 0 40 EDAB Cc1[nH]ncc1S(=O)(=O)N1CCC[C@@H]1c1nncn1CC(C)C 71915817 ZPFHNBXIIGLCMN-GFCCVEGCSA-N 338.437 1.491 0 40 EDAB CC[C@@](C)(NCC(=O)NCCCOC1CCCCC1)C(=O)OC 71912043 HUNZCVRNCJTNOZ-QGZVFWFLSA-N 328.453 1.773 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 8889247 JYWPYROBMQNMNY-KRWDZBQOSA-N 333.388 1.331 0 40 EDAB COCCNC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 65588545 MTMVRLCAAUEONF-UHFFFAOYSA-N 346.431 1.741 0 40 EDAB COc1nc(C(=O)NCC2(C(N)=O)CCOCC2)cc2ccccc12 65549060 ZVMWVETWUOMJMV-UHFFFAOYSA-N 343.383 1.255 0 40 EDAB Cc1ccc(OC[C@@H](C)NC(=O)CNC(=O)NCc2ccco2)cc1 65607297 QUCRPYPJVJCORI-CQSZACIVSA-N 345.399 1.971 0 40 EDAB COc1c[nH]c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1=O 71280282 RNDDSGFFDULBQS-UHFFFAOYSA-N 347.802 1.999 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(Cl)cn2)cc1 66582228 LKUOCAWCSJGYER-UHFFFAOYSA-N 339.804 1.920 0 40 EDAB Cc1cc(C)n(-c2nnc(C)n2S(=O)(=O)c2ccc(F)cc2)n1 4815492 HWGFBOSEDVIJAY-UHFFFAOYSA-N 335.364 1.765 0 40 EDAB Cn1cc(CCNC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 67202876 YHUFDSGZZWLMIU-AWEZNQCLSA-N 336.436 1.868 0 40 EDAB Cc1ccc(C(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)cn1 71839645 YPNIRUXYYLJOMV-UHFFFAOYSA-N 329.404 1.854 0 40 EDAB O=S1(=O)CC[C@H](Cc2nn3c(Cc4ccccc4)nnc3s2)C1 71479646 LCFKYUOWPMJHFR-GFCCVEGCSA-N 348.453 1.754 0 40 EDAB COc1ccc(CCNC(=O)CSc2ncnc3nc[nH]c23)cc1 9420617 SJHBAOPRQIRMRO-UHFFFAOYSA-N 343.412 1.813 0 40 EDAB CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1cccc(F)c1 69327938 KMELFPYIRPZHDN-UHFFFAOYSA-N 337.420 1.973 0 40 EDAB CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cccs1 69434893 HLKLEROOMCCWPG-JTQLQIEISA-N 334.488 1.679 0 40 EDAB CCN(Cc1ccoc1)C(=O)c1ccc(OC)c(-n2cnnn2)c1 97081245 BXHUOYGHKJSAJM-UHFFFAOYSA-N 327.344 1.926 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2CCC2)s1 72274335 MFOZSINAVBMEAA-UHFFFAOYSA-N 345.490 1.736 0 40 EDAB CN(C)[C@@H]1CCCN(C(=O)NC2CCN(c3ccccn3)CC2)C1 72274220 WQPOJZCJQVWCTA-MRXNPFEDSA-N 331.464 1.786 0 40 EDAB CNC(=O)c1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1 78898496 CWWHKVCTFUHVLU-CXAGYDPISA-N 329.444 1.783 0 40 EDAB Cc1ccc(N2CCC(NC(=O)NC[C@H]3CCC[C@H]3O)CC2)nc1 78953077 VFBZJVXTMQZLKS-GDBMZVCRSA-N 332.448 1.819 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCCSCC(=O)O)[C@H]1c1cccs1 95425376 SKKSVITUDFMIOH-RNCFNFMXSA-N 342.442 1.202 0 40 EDAB Cc1cc(NC(=O)C(=O)Nc2cnn(CCC(C)C)c2C)n(C)n1 95442880 GJBYLZYLEVQXSP-UHFFFAOYSA-N 332.408 1.857 0 40 EDAB CC(C)n1c(CCNC(=O)C2(O)Cc3ccccc3C2)n[nH]c1=S 73497185 NPVOFLKKSJVVQT-UHFFFAOYSA-N 346.456 1.710 0 40 EDAB C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1nccnc1C(N)=O 73846777 SCLAPZJBYUUHSM-ZYHUDNBSSA-N 328.347 1.733 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(c2ncnc3ccsc23)CC1 85468159 MFWXTVRGQYGMHE-LLVKDONJSA-N 331.445 1.480 0 40 EDAB Cn1cc(CCC(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)cn1 95965352 WKPYZOLJAGJWEJ-QGZVFWFLSA-N 341.411 1.853 0 40 EDAB CCc1nnc(O)c(C(=O)N2CC[S@@](=O)C(C)(C)C2)c1CC 89282519 DXPXEJMVOBTPKD-QFIPXVFZSA-N 325.434 1.290 0 40 EDAB COCCN1C[C@H](C(=O)N2CCc3c([nH]c4ccccc34)C2)CC1=O 89363862 IQCLSAJAJMGVAF-CYBMUJFWSA-N 341.411 1.548 0 40 EDAB CCNC(=O)N1CC[C@H](NC(=O)NCCc2ccc(C)cc2C)C1 89977438 PQGYHBREVSVDQM-INIZCTEOSA-N 332.448 1.949 0 40 EDAB COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3ccco3)CC2)C1 306135760 OZZBWVNTPIAYLR-UHFFFAOYSA-N 345.403 1.753 0 40 EDAB CN(C)C(=O)COCC[C@H]1CO[C@H]2CN(Cc3cccnc3)C[C@@H]12 306135854 PCYNLOWNZDVZCI-ULQDDVLXSA-N 333.432 1.023 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)nn2C)c(Cl)c1 66247918 IYFPJJIIBKJEHN-UHFFFAOYSA-N 343.792 1.969 0 40 EDAB Brc1cnc2ccc(N3CC[C@H](n4cncn4)C3)nn12 1522916707 IJKOLABLQQVVSP-VIFPVBQESA-N 334.181 1.535 0 40 EDAB O=C(CN1CCC[C@H]1c1cncc(-n2ccnc2)n1)N1CCCC1 72378730 VGRLAENCVRSCIU-HNNXBMFYSA-N 326.404 1.422 0 40 EDAB O=S(=O)(Cc1ccccc1F)N1CC[C@@H](Oc2cnsn2)C1 675008050 SBNSRZUXRUCMHD-LLVKDONJSA-N 343.405 1.660 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(NCC(C)C)c(C(=O)O)c1 217662909 VDLXIUNPKBJMFM-NSHDSACASA-N 344.433 1.766 0 40 EDAB COc1ccc(OC)c(Nc2nc3c(C)nn(C)c3c(=O)n2C)c1 32651457 LXAQWBXTHILEMG-UHFFFAOYSA-N 329.360 1.736 0 40 EDAB CC[C@@H](C)Nc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O 217592544 JTFJFPRPZZWYDS-SNVBAGLBSA-N 330.406 1.256 0 40 EDAB CN(CC(=O)NCC(C)(C)c1cccs1)c1ncnc2[nH]cnc12 74647755 JCRIPYXHCIOTDF-UHFFFAOYSA-N 344.444 1.945 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc[nH]3)CC2)c1 190682435 AGOFQFGZQGHYRH-UHFFFAOYSA-N 347.440 1.376 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NC[C@H](O)c1cccs1 75156083 OBKYCGLRALGEOH-QMMMGPOBSA-N 347.439 1.608 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 223301439 KFHLIBIZBKIDGJ-UHFFFAOYSA-N 348.424 1.632 0 40 EDAB Cc1nc([C@@H]2CN(Cc3cc(=O)n4ccsc4n3)CCO2)no1 329518515 PTDKNZXYOBBYRM-NSHDSACASA-N 333.373 1.021 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(C(=O)CCc2ccc(Cl)s2)C1 96408601 HRIKMOQGAPPNAC-VIFPVBQESA-N 336.866 1.484 0 40 EDAB CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncccn4)C3)O2)CC1 96209136 MHBUJAZQPYTEEC-SJLPKXTDSA-N 331.464 1.242 0 40 EDAB C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CCN1Cc1cccnc1 96201306 OTRZLVJYMAMTEW-CYBMUJFWSA-N 325.416 1.881 0 40 EDAB COc1cccc(NC(=O)NCCn2cncc(C)c2=O)c1OC 96119194 LCQJZAPIEDFMAA-UHFFFAOYSA-N 332.360 1.391 0 40 EDAB Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](CO[P@@](=O)(O)OP)O1 90741960 VCGZXRNAVIEYAS-BQBZGAKWSA-N 347.208 1.010 0 40 EDAB CCn1nnnc1-c1cccc(NC(=O)CCn2cc(C)cn2)c1 96413956 UBOWRCXVOUIPJA-UHFFFAOYSA-N 325.376 1.894 0 40 EDAB Cc1cc(NC(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)nn1C 95479467 ABPHAQKLCCGPQH-UHFFFAOYSA-N 340.391 1.250 0 40 EDAB O=C(NCC[C@H](O)c1ccccc1)C(=O)NCc1ccc(F)cc1 81251540 CDLINWGVZHWMDX-INIZCTEOSA-N 330.359 1.682 0 40 EDAB O=C(c1ccnnc1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96187192 KJZZOCMHLBALHK-YCPHGPKFSA-N 326.356 1.323 0 40 EDAB CC(C)COC[C@H](C)NC(=O)c1c[nH]c(=O)c(Br)c1 96426369 FZMSNPUTVSYUNQ-VIFPVBQESA-N 331.210 1.928 0 40 EDAB CCCS(=O)(=O)N1CC2(CCN(Cc3csc(C)n3)C2)C1 96202533 ALLKTRGZDFSHRC-UHFFFAOYSA-N 329.491 1.699 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)on1 96108983 VXSIXYPTMJJMIS-CRAIPNDOSA-N 343.383 1.683 0 40 EDAB C[C@@H]1c2ncc(COCC3CC3)n2CCN1S(=O)(=O)C1CC1 96109762 VUFVUZVVDRJXBR-LLVKDONJSA-N 325.434 1.679 0 40 EDAB Cc1cc(CN2Cc3cccn3[C@H](COCC(=O)N(C)C)C2)no1 247980400 JJZQLGYUMCNTGG-INIZCTEOSA-N 332.404 1.446 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)CN(C)C2CCCC2)n1 257258480 KUESXVBAECYTMT-HNNXBMFYSA-N 347.463 1.601 0 40 EDAB C[C@](O)(CCc1ccccc1)C(=O)NC[C@@H]1CN(C2CC2)CCO1 252507670 WRDQZWPRGQSIJP-MJGOQNOKSA-N 332.444 1.350 0 40 EDAB Cc1[nH]nc(I)c1C(=O)N(C)CCCCO 585122260 UDTNEYJAHJCUMP-UHFFFAOYSA-N 337.161 1.167 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1 257313919 UURJEGBUBYQFQD-LLVKDONJSA-N 334.405 1.149 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1c1ccccc1 257260304 LCGLXMMABJWCIK-KRWDZBQOSA-N 339.395 1.431 0 40 EDAB CC(=O)N1CCC(c2nccnc2CNC(=O)c2ncoc2C)CC1 257200863 AFEDIDOVPWRERU-UHFFFAOYSA-N 343.387 1.429 0 40 EDAB Cc1nccc(C(=O)N2CCC(c3cc(O)n4nccc4n3)CC2)n1 257300362 RTZFCAWKPGBRKU-UHFFFAOYSA-N 338.371 1.553 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)Cc2csc(C)n2)n1 257291311 QGLMRXOZSPEREQ-ZDUSSCGKSA-N 347.444 1.734 0 40 EDAB O=C(CC1(O)CCCCC1)NC[C@@]1(O)CCCN(c2ncccn2)C1 257270886 MWAIAYXUDWYJCK-SFHVURJKSA-N 348.447 1.009 0 40 EDAB Cc1cc(CCC(=O)N2CC(N3C(=O)COC3=O)C2)ccc1Cl 253395069 BOVUQHDFERTXFT-UHFFFAOYSA-N 336.775 1.771 0 40 EDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccno2)C1 262466155 SZPHZUPKGCUQMC-LLVKDONJSA-N 336.369 1.827 0 40 EDAB O=S(=O)(c1cnc2sccc2c1)N1CCOCC(F)(F)C1 606444599 XLMBSSFKVDTOIT-UHFFFAOYSA-N 334.369 1.953 0 40 EDAB C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CN1CCC[C@H](C(F)(F)F)C1=O 1615586519 OIAPELPWUVKXHY-AGIUHOORSA-N 349.397 1.586 0 40 EDAB CC(C)(C)OC(=O)N1CC2(C1)OCCCN2C(=O)[C@H]1CCCCO1 1615606140 SWECQGCKFJNVRO-CYBMUJFWSA-N 340.420 1.751 0 40 EDAB C[C@H]1CN(C(=O)c2oc3ccccc3c2Cn2cccn2)CC(=O)N1 1615627410 YRPGCMPPGNBFOC-LBPRGKRZSA-N 338.367 1.638 0 40 EDAB Cc1noc(C)c1CCC(=O)NCC1CCN(S(C)(=O)=O)CC1 96120333 DLEJZFLAVRAWCC-UHFFFAOYSA-N 343.449 1.012 0 40 EDAB Cn1cnc2cc(NC(=O)c3ccc(S(N)(=O)=O)cc3)ccc21 390832995 AIESQVJJNMMQTI-UHFFFAOYSA-N 330.369 1.473 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 575406150 WVOBIAQZDQBBOT-AWEZNQCLSA-N 342.486 1.896 0 40 EDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1)[C@H]2C 585097354 JDKMCNGRZFFJRU-JTQLQIEISA-N 340.380 1.329 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@H]1C 585097436 KDBFGZWLIHTIJK-JMSVASOKSA-N 330.432 1.654 0 40 EDAB O[C@@H]1[C@H](O)COC[C@H]1CNCc1cccc(C(F)(F)F)c1Cl 585286562 LJLDNPOFUYVAKB-XWIASGKRSA-N 339.741 1.817 0 40 EDAB Cc1nccc(N2CCOC[C@](O)(COc3ccc(F)cc3)C2)n1 585277794 XYZIPGWYIQHZNS-KRWDZBQOSA-N 333.363 1.571 0 40 EDAB O=S(=O)(c1ccccc1)N1CC[C@](O)(COc2ccccc2)C1 585276116 JXPNATVVIDJKLH-QGZVFWFLSA-N 333.409 1.891 0 40 EDAB Cc1ccc(N2C[C@]3(CCN(C(=O)C4CC(O)C4)C3)CC2=O)cc1 585101600 ZPUAWMSYLYMWCD-GSQSYGFSSA-N 328.412 1.721 0 40 EDAB NC(=O)C[C@@H]1CN(Cc2cccnc2)CC[C@H]1Oc1cccnc1 585269441 UTWBKHOUMQEARD-NVXWUHKLSA-N 326.400 1.622 0 40 EDAB COC[C@@H]1CN(C)C2(C1)CN(C(=O)COc1ccccc1OC)C2 585093758 CWJKPDCVGAPEGC-AWEZNQCLSA-N 334.416 1.253 0 40 EDAB COC[C@@]1(CC(=O)N(C)C)CCCN1Cc1ccc(C(=O)O)cc1 585276726 HTSDKWRRUQFYJD-SFHVURJKSA-N 334.416 1.844 0 40 EDAB COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cc(C)cn3)[C@H]2O)cc1 952844614 BOYCPZSMVMJNRT-HSFUPAIVSA-N 345.399 1.016 0 40 EDAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)cn1 97081404 XXJBIXDIDQOPAY-CQSZACIVSA-N 349.412 1.717 0 40 EDAB CC1CCC(NC(=O)Cn2cnc3c2CCNC32CCOCC2)CC1 1615589277 KDRYHHQHPFEHOJ-UHFFFAOYSA-N 346.475 1.729 0 40 EDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc21 11615478 SHNWWFXZMBHMTJ-UHFFFAOYSA-N 335.360 1.817 0 40 EDAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 16610279 LZRMJFKVBHGHSD-ZDUSSCGKSA-N 340.445 1.765 0 40 EDAB CN(C)CCN(C)C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 154768038 RNQRFPANPZLKPW-UHFFFAOYSA-N 343.431 1.409 0 40 EDAB O=S(=O)(N1CCCC1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220786138 LJNVSTJWUMQKKH-GFCCVEGCSA-N 340.449 1.542 0 40 EDAB Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](Oc2ccc(N(C)C)nn2)C1 225448713 GNXCQCAQMAOTMG-CYBMUJFWSA-N 344.419 1.186 0 40 EDAB Cc1cc(NCCN2CCOCC2)n2nc(C(F)(F)F)nc2n1 12421736 QFMIVOLSMVCNIW-UHFFFAOYSA-N 330.314 1.196 0 40 EDAB CC[C@H](C)[C@@H](NS(=O)(=O)c1cc2c(cc1C)OCO2)C(=O)O 566559506 HFMRQFCUEWBWLO-ISVAXAHUSA-N 329.374 1.501 0 40 EDAB Cc1cccc(S(=O)(=O)NCC2(OCCO)CCSCC2)c1 828765457 QRADCXQQWFJXRK-UHFFFAOYSA-N 345.486 1.548 0 40 EDAB Cc1cc(C(=O)NCC2(N3CCSCC3)CCOCC2)no1 1888834284 UDFBZMRFXANSFV-UHFFFAOYSA-N 325.434 1.311 0 40 EDAB Cc1nc(C2CC2)nc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c1C 1888850049 ZYFTVQVHCOZTPB-OAHLLOKOSA-N 330.432 1.798 0 40 EDAB Cc1cc(N2CCCC2)nc(N2CCN(c3ncncc3F)CC2)n1 1889077252 VJUAESVUHHRMTC-UHFFFAOYSA-N 343.410 1.641 0 40 EDAB O=c1n(Cc2noc(-c3ccc(F)cc3)n2)nnn1-c1ccccc1 31765267 VVAJFHFMORTYFV-UHFFFAOYSA-N 338.302 1.666 0 40 EDAB Cc1ncnc(C(=O)N2CCC3(CC(NC(=O)C4CC4)C3)C2)c1C 1565545174 WWKXMHIQUCEFNX-UHFFFAOYSA-N 328.416 1.614 0 40 EDAB Cc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1Cl 4337926 SAYIADWJEXAUGK-UHFFFAOYSA-N 339.808 1.353 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)Cc2ccco2)c(C)c1 206618680 CMXOWYPQGOBIEO-INIZCTEOSA-N 339.413 1.869 0 40 EDAB O=C(NCCc1ccc(F)cc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 40073489 HGIRTHNFMMCETJ-LLVKDONJSA-N 332.297 1.895 0 40 EDAB CCOc1ncccc1CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 30307931 HIHLEODNLWHGRF-LRDDRELGSA-N 335.429 1.551 0 40 EDAB O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccccc1 100472145 DHFHJLRUFGWPSJ-JURCDPSOSA-N 325.368 1.615 0 40 EDAB aggregator O=C1NCCC[C@@H]1NC(=O)[C@H](c1ccccc1)N1CCSCC1 50633442 NIQYWTHEFKXTIN-GJZGRUSLSA-N 333.457 1.171 0 40 EDAB Fc1ccc(-c2nc3ncnn3cc2CCN2CCOCC2)cc1 20365723 YJCFBPZTUHHEPQ-UHFFFAOYSA-N 327.363 1.805 0 40 EDAB Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cs1 40510424 NKCATPSWFZDOKT-SECBINFHSA-N 335.351 1.521 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCCn1cccn1 40504676 MFOGTUOSNXSYJP-MRXNPFEDSA-N 328.416 1.844 0 40 EDAB COCCOCCCNS(=O)(=O)c1ccc(C(=O)OC)cc1C 51134803 WRKANFYKICYBJR-UHFFFAOYSA-N 345.417 1.113 0 40 EDAB CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccc(NN)nn1 658 QGONODUKOFNSOY-GFCCVEGCSA-N 331.420 1.557 0 40 EDAB in-man NC(=O)C1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 32758223 JPMKMKULLLAGRP-OAHLLOKOSA-N 326.824 1.415 0 40 EDAB COc1ccccc1C(=O)COC(=O)c1cccc(-n2cnnn2)c1 32708021 NVQTYECDQUPQJK-UHFFFAOYSA-N 338.323 1.711 0 40 EDAB O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cccc2cn[nH]c12 32818294 AEPNMDIGUMYFLB-UHFFFAOYSA-N 349.350 1.867 0 40 EDAB C[C@@H](C(=O)N1CCC(c2nc3ccccc3o2)CC1)S(C)(=O)=O 46761785 KLKULRJKKXKDAC-NSHDSACASA-N 336.413 1.967 0 40 EDAB CO[C@@H]1CO[C@@H]2[C@@H](NC(=S)Nc3ccc(Cl)cc3)CO[C@H]12 4222789 QUNHDYFGXISFDJ-UMSGYPCISA-N 328.821 1.808 0 40 EDAB biogenic,in-vitro CCCCn1nc(C(=O)Nn2cnc3ccccc3c2=O)ccc1=O 32987969 OATMAEXSUJCYKJ-UHFFFAOYSA-N 339.355 1.137 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(-n3cncn3)nc2)c1C 32932453 CJMBNKMHILDGGX-UHFFFAOYSA-N 338.371 1.740 0 40 EDAB O=C(NCC1(c2ccc(F)cc2F)CC1)N1CCS(=O)(=O)CC1 97022604 IUOJLXPRKVHZLI-UHFFFAOYSA-N 344.383 1.436 0 40 EDAB CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)CCO1 46974619 LGUANQRANREZQP-AAEUAGOBSA-N 333.388 1.899 0 40 EDAB O=C1O[C@@H]2CC[C@H]3[C@H]2[C@H]2[C@H]4[C@H]5[C@H]6[C@@H]7[C@@H]8CC[C@H]7[C@H]5[C@]12[C@]6([C@@H](O)O8)[C@H]43 104294392 AZMXBLVUVMAYAD-JMVVHYCKSA-N 326.392 1.419 0 40 EDAB O=S(=O)(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 22872942 LYEHMQRHEDOURC-KRWDZBQOSA-N 346.452 1.866 0 40 EDAB CCN1C(=O)c2cccc3c(S(=O)(=O)NCCC(=O)O)ccc1c23 816433 FMIRDVWBBYNABL-UHFFFAOYSA-N 348.380 1.573 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 47644607 CWRQVFKXXRJOCV-MRXNPFEDSA-N 340.387 1.720 0 40 EDAB CCOC(=O)N1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 23751466 GJYDYQJPIYZMNR-LBPRGKRZSA-N 330.388 1.758 0 40 EDAB Cc1cccnc1NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 42946569 HDUXRNMIXGNJNV-UHFFFAOYSA-N 334.401 1.402 0 40 EDAB COc1ccccc1N1C[C@@H](C(=O)N(C)Cc2cnn(C)c2)CC1=O 24479966 BILFFVMFWGAHMU-AWEZNQCLSA-N 342.399 1.440 0 40 EDAB Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C(N)=O)c2)on1 55258634 ZKPWJFRIJUQPLE-AWEZNQCLSA-N 349.412 1.916 0 40 EDAB Cc1cc(C(=O)NCCN2CCN(C)C[C@H]2c2ccccc2)[nH]n1 106570930 IXNORGKDJVRMBH-KRWDZBQOSA-N 327.432 1.437 0 40 EDAB Cc1cc(S(=O)(=O)N(C)CC(=O)NCC(F)(F)F)c(C)s1 56070138 RJGRBEMNYLSXEU-UHFFFAOYSA-N 344.380 1.664 0 40 EDAB CNC(=O)[C@H]1CN(Cc2cc(C)c(C(=O)OC)o2)c2ccccc2O1 25929000 XGXUNDDYXMSJGA-OAHLLOKOSA-N 344.367 1.888 0 40 EDAB CC[C@@H](C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)N(CC)CC 78823434 CCURPYGIHFJYDL-AWEZNQCLSA-N 333.436 1.077 0 40 EDAB C[C@H](NC(=O)COC(=O)c1ccn(C)c(=O)c1)[C@@H]1C[C@H]2CC[C@H]1C2 108066925 CSUTXTLJIGHPAJ-ABHRYQDASA-N 332.400 1.483 0 40 EDAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 108183412 ZTYVKJOWNSYFOI-SDDRHHMPSA-N 327.384 1.773 0 40 EDAB CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CCCN(C(N)=O)C2)c1C 12693439 ABOSQUCBJSZYJT-CYBMUJFWSA-N 335.404 1.641 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCCn3c(C)nc4ccccc43)nc2n1 12608893 BGGDIFKGJVOFES-UHFFFAOYSA-N 349.398 1.829 0 40 EDAB O=C(NCc1ccnc(-n2cccn2)c1)N[C@H]1CCN2CCCC[C@H]12 48265148 GJFWYCMLIZJMNH-JKSUJKDBSA-N 340.431 1.693 0 40 EDAB Cc1ccc(OCC(=O)NCCCn2ncc3c2c(C)nn3C)cc1 57279036 PZTFKKYBXBPMHI-UHFFFAOYSA-N 341.415 1.972 0 40 EDAB O=C(NCCCn1cncn1)NC[C@@H](c1ccco1)N1CCCC1 48278307 TZLQUTUTZPBMAP-AWEZNQCLSA-N 332.408 1.398 0 40 EDAB CC(C)=C[C@H]1[C@@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)C1(C)C 44778073 MSSOCOWATLNWTN-KBPBESRZSA-N 328.478 1.765 0 40 EDAB Nc1nccnc1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 10141172 CMJNRAHSQTXAEY-UHFFFAOYSA-N 330.388 1.301 0 40 EDAB Cc1ccn(CCC(=O)N[C@H](C)c2cc(O)n3nc(C)cc3n2)n1 100217826 CDEONMYTAUDDNP-GFCCVEGCSA-N 328.376 1.516 0 40 EDAB C[C@H]1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@@H]1N(C)C 78895027 DJBDRBLVFWXYGO-WFASDCNBSA-N 328.416 1.264 0 40 EDAB Cc1ccc(N2CC[C@@H]3OCCC[C@@]3(COCCN(C)C)C2)nn1 107711551 OMHCDEXDTBZELL-WMZOPIPTSA-N 334.464 1.739 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](C)C2)cc1 44968310 XMRYEAMVNRXQQA-LBPRGKRZSA-N 325.434 1.536 0 40 EDAB CN(CC(=O)NC[C@@H](O)COc1ccc(F)cc1)Cc1ccccc1 58369270 NNQVFWDGWLCMJH-QGZVFWFLSA-N 346.402 1.814 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)CN(C)c1ncnc2[nH]cnc12 58404798 UKSNDPPKPJXOCC-CHWSQXEVSA-N 346.435 1.501 0 40 EDAB CN(CC(=O)OCC(=O)NCC(F)(F)F)c1ccc(Cl)cn1 36392881 ODPAIYLUNYDLET-UHFFFAOYSA-N 339.701 1.393 0 40 EDAB O=C(CS(=O)(=O)C[C@H]1CCCO1)N[C@@H]1CCCc2ccccc21 45359671 JICRCWWQRCDXBS-GDBMZVCRSA-N 337.441 1.774 0 40 EDAB C[C@@H](CN[C@H](C)CC(=O)N1CCCCCC1)N1CCOC[C@@H]1C 110687411 AIYYZTWMEXNOQI-IKGGRYGDSA-N 325.497 1.866 0 40 EDAB Cc1ccccc1-n1c(SCC(=O)NC2CC2)nc(O)cc1=O 59203569 HYUBINWLYSJQOJ-UHFFFAOYSA-N 331.397 1.617 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 45838490 FAPWVYKTIPGCNS-VIFPVBQESA-N 331.294 1.591 0 40 EDAB CNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 3510649 DXEAHIHZRLJHEN-UHFFFAOYSA-N 341.367 1.726 0 40 EDAB CC(=O)N1C[C@H](C(=O)Nc2ccc(C(N)=O)cc2)Oc2ccccc21 12975075 JMPNWKNGPHXGLK-MRXNPFEDSA-N 339.351 1.538 0 40 EDAB Cn1nccc1C(=O)N1C[C@@H]2OC[C@H](CCOc3cccnc3)[C@@H]2C1 306131997 KVHYFWOWZHLFQB-QRTARXTBSA-N 342.399 1.371 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 13148340 FQKBRLJTDBIJPT-ZIAGYGMSSA-N 344.367 1.587 0 40 EDAB COCCN1CC[C@H](NC(=O)Nc2cc(F)c(N(C)C)c(F)c2)C1 69971880 KMQZKPKRWOBUQK-NSHDSACASA-N 342.390 1.873 0 40 EDAB CCn1c(=O)c2c(nc3n2CCN3c2ccccc2C)n(C)c1=O 13540756 BEVXSUVLVFYJRS-UHFFFAOYSA-N 325.372 1.377 0 40 EDAB c1cnn(C[C@@H]2CN(Cc3nc(-c4ccsc4)no3)CCO2)c1 69376504 YCBUNDZDQSMZSL-ZDUSSCGKSA-N 331.401 1.896 0 40 EDAB CN1CCCC[C@@H]1CN1CCN(C(=O)c2noc3c2CCCC3)CC1 69950886 BFHUQMLQLJGYQL-OAHLLOKOSA-N 346.475 1.796 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2cccn2Cc2cccnc2)CC1 69928037 SDMYASVECQPFKV-UHFFFAOYSA-N 342.443 1.460 0 40 EDAB COCCN1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 69925282 AYDGCJDVEXOMJN-OAHLLOKOSA-N 343.265 1.747 0 40 EDAB COCCC(=O)N1CC2(C[C@@H](CCOc3ccccn3)CCO2)C1 306126185 DPAIXPVPNPDRQA-HNNXBMFYSA-N 334.416 1.895 0 40 EDAB COC(=O)CCCCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 69973416 OCXNQNMKDIOXEU-PBHICJAKSA-N 347.415 1.451 0 40 EDAB CN(CCOc1ccccc1F)CC(=O)Nc1ccccc1C(N)=O 8938745 MBERUZJOUISLCB-UHFFFAOYSA-N 345.374 1.874 0 40 EDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1ccccc1F 4370630 UYHSNAKEYWYCMM-UHFFFAOYSA-N 341.346 1.182 0 40 EDAB O=C([C@H]1CCCN1CC[S@](=O)c1ccccc1)N1CCOCC1 69455475 AOCMDQVBSNJPIQ-WAIKUNEKSA-N 336.457 1.117 0 40 EDAB Cc1ncc2c(n1)CN(CC(=O)NCc1ccc3c(c1)OCO3)CC2 69443581 ULXMVSNTPUQNQL-UHFFFAOYSA-N 340.383 1.188 0 40 EDAB Cc1ccc(NS(C)(=O)=O)c(C(=O)N[C@H](C)[C@H]2CCCO2)c1 69434093 QGTGVDCEUOQEKP-BXUZGUMPSA-N 326.418 1.664 0 40 EDAB C[C@@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)s1 65422819 JJJBKDOFSCNISG-SSDOTTSWSA-N 327.797 1.966 0 40 EDAB Cc1ccc2c(CC(=O)N[C@]3(C)CCS(=O)(=O)C3)cc(=O)oc2c1 65575298 FFFDNKAWUPCEAG-QGZVFWFLSA-N 349.408 1.337 0 40 EDAB COCCN(C)CCCNC(=O)[C@H](C)Oc1cccc(C(C)=O)c1 65541569 BUCJOQOEJVBCFR-HNNXBMFYSA-N 336.432 1.741 0 40 EDAB OCCn1ncc2c(NCc3ccc(N4CCCC4)nc3)ncnc21 65590842 RBFNGCQCGJIKGU-UHFFFAOYSA-N 339.403 1.426 0 40 EDAB COc1ncnc(OC)c1C(=O)Nc1cnc2c(c1)c(C)nn2C 65586263 HJODOXDJZBTRCO-UHFFFAOYSA-N 328.332 1.336 0 40 EDAB CC(C)CCNC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 14201186 YUIMJGONBBSOFE-UHFFFAOYSA-N 331.416 1.706 0 40 EDAB Cn1ccc(C(=O)OCC(=O)Nc2ccc(Br)cn2)n1 4734969 RDQRNRRTEZPFDH-UHFFFAOYSA-N 339.149 1.373 0 40 EDAB Cc1cc(NNS(=O)(=O)c2ccc(Cl)s2)n2ncnc2n1 8746141 MQEWAAUAYYBSJX-UHFFFAOYSA-N 344.809 1.453 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H]1Cn1cncn1 69653296 VSXGQQHWKOXFTP-RRFJBIMHSA-N 345.451 1.937 0 40 EDAB O=C1N(CCO)CCN1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 66794742 ZIDUKHAHDPKUQI-OAHLLOKOSA-N 341.358 1.026 0 40 EDAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)NC[C@H]1CCCO1 6909123 YKOXZUBWYUJEMF-SECBINFHSA-N 326.809 1.999 0 40 EDAB c1cnnc(N2CCC[C@@H](NCc3ccc(-n4cncn4)cc3)C2)c1 69741906 CEZWLSMDGPXPDS-MRXNPFEDSA-N 335.415 1.816 0 40 EDAB O=S1(=O)N=C(CN2CCC[C@@H]2Cn2cccn2)Nc2ccccc21 69740171 NVWSLILDRQCBJR-CYBMUJFWSA-N 345.428 1.560 0 40 EDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc1ccc(F)cc1 7136965 HQBWEZPKOKUCLO-UHFFFAOYSA-N 341.342 1.535 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)Nc2cccnc2N2CCOCC2)C1 69844503 RQVUJALPJMNIND-CQSZACIVSA-N 347.419 1.051 0 40 EDAB Cc1nnc2ccc(N3CCN(C[C@H](O)c4ccccc4)CC3)nn12 69816021 IJGYUZXAMLHVNU-INIZCTEOSA-N 338.415 1.288 0 40 EDAB CCOCC(=O)N(c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 67994518 DGRSTPJYEDCVRF-CYBMUJFWSA-N 327.402 1.252 0 40 EDAB COc1ccc(CCNC(=O)[C@H](C)OC(=O)c2cc(C)no2)cc1 18598015 WKRQZQAIPHOQMW-LBPRGKRZSA-N 332.356 1.896 0 40 EDAB CC(C)CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cnccn1 68825201 BBBJMHDPCYRTIV-TZMCWYRMSA-N 336.461 1.933 0 40 EDAB CC(=O)c1cccc(NC(=O)Cn2nc3c(cc2=O)CSCC3)c1 71287487 GERFEAPCQKZIOQ-UHFFFAOYSA-N 343.408 1.874 0 40 EDAB O=C(CN1CCC[C@@H](c2noc(C3CC3)n2)C1)NC1CCOCC1 72299904 MRKCYBLWRJJGGL-CYBMUJFWSA-N 334.420 1.422 0 40 EDAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cn1 72272771 OEOCNESVQJYHKI-UHFFFAOYSA-N 326.305 1.728 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1cnccn1 72292824 OAVKQMKJGANYFO-UHFFFAOYSA-N 347.400 1.299 0 40 EDAB CC(C)CNC(=O)CNC(=O)c1cc(I)c[nH]1 72285789 KFCBAWGVFBJOOD-UHFFFAOYSA-N 349.172 1.121 0 40 EDAB COc1cccc(CNC(=O)[C@H](C)NCc2nnc3n2CCCC3)c1 72299695 GSYGZECZSVVEMX-ZDUSSCGKSA-N 343.431 1.418 0 40 EDAB O=C1[C@H](NCc2nnc3n2CCCC3)CCCN1c1ccccc1 72299704 QYFZGOWMKHCWKJ-OAHLLOKOSA-N 325.416 1.900 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C)C(=O)O)c1 9537174 GRBTUQUNVFYQAV-SECBINFHSA-N 346.380 1.059 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2occc2COc2ccccc2)CC1 71871126 LWXGSKBABDHWAS-HNNXBMFYSA-N 344.411 1.997 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@H]1CCCN(c2ccccn2)C1)c1ccccc1 71820857 RMEORROVRHGPPQ-RDJZCZTQSA-N 338.411 1.641 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C 71870351 UAYWBIQRYUMJKE-UONOGXRCSA-N 341.477 1.914 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 71827298 IQZWBRZZQRBRHZ-SBJJXXPASA-N 332.400 1.449 0 40 EDAB O=C(Cc1cccc2cccnc12)N1CCC(N2CCNC2=O)CC1 71821360 HRWPMFCZLWJCTJ-UHFFFAOYSA-N 338.411 1.794 0 40 EDAB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1cc[nH]n1 71911637 KGSBFEOZKNUWFQ-CMPLNLGQSA-N 338.408 1.786 0 40 EDAB C1=CCN(c2ncnc3c2CCN(c2ncnc4[nH]cnc24)CC3)CC1 72427951 DLUACPCCMQZYFG-UHFFFAOYSA-N 348.414 1.514 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 78901568 RGFPYDJOTBAUMP-NSHDSACASA-N 331.376 1.062 0 40 EDAB COc1nccnc1N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 95965838 BHJSKUXAEAXLOB-HZPDHXFCSA-N 326.400 1.575 0 40 EDAB Cc1nc(C)n(-c2ccccc2NC(=O)NCCn2ccnc2)n1 89271256 WGDMVJXKUFIUEB-UHFFFAOYSA-N 325.376 1.902 0 40 EDAB C[C@@H](CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O)N1CCOCC1 75117590 IXBJUENQJMCHNB-AWEZNQCLSA-N 341.411 1.492 0 40 EDAB CN(Cc1nccn1C)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 89761416 CMWABCKNZSLBAU-KRWDZBQOSA-N 342.443 1.670 0 40 EDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 65403950 CYRXNAZVDCNFOR-QGZVFWFLSA-N 331.460 1.802 0 40 EDAB Cc1cccc(CN2C[C@@H]3C[C@@]4(CCN(CCF)C4=O)[C@H](C2)O3)n1 306123816 AXVJNUSWGOWFGJ-BQFCYCMXSA-N 333.407 1.551 0 40 EDAB CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408709564 UFDWGHODKIFMCE-UHFFFAOYSA-N 325.368 1.691 0 40 EDAB Cc1nn(C)cc1CN1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)CC1 36611007 FFGWFCFJTNACMP-CVEARBPZSA-N 346.431 1.040 0 40 EDAB O=C(NC[C@@H]1CCC2(CN(Cc3cccnc3)C2)OC1)N1CCCC1 306131445 KEONJAQBAUHLRC-KRWDZBQOSA-N 344.459 1.868 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 521395330 FQHOJSVCFNOFLQ-UHTWSYAYSA-N 328.420 1.881 0 40 EDAB CC(=O)N1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 306124600 BUBBPDAVVLOICN-OLZOCXBDSA-N 325.372 1.181 0 40 EDAB NC(=O)c1ccn(-c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)cc2)n1 70816639 PKFGDCBXVSOENO-NFAWXSAZSA-N 326.356 1.477 0 40 EDAB Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(=O)[nH]1 31413898 NLLCWZDUYHAYMX-JTQLQIEISA-N 343.383 1.578 0 40 EDAB CCOC[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC 218085212 JRWUAKGYPKIFDE-PMPSAXMXSA-N 327.446 1.577 0 40 EDAB COCCNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72339019 TUFJQCMCRDPHPX-BFDPJXHCSA-N 344.411 1.704 0 40 EDAB CCn1nnnc1-c1cccc(NC(=O)NCCCn2cccn2)c1 76326797 KIURYSLOUMEMFD-UHFFFAOYSA-N 340.391 1.768 0 40 EDAB COc1ccc([C@@H](CC(=O)O)CC(=O)NCC(=O)NC(C)C)cc1 226750551 HJRLFJJKRMQWQL-CYBMUJFWSA-N 336.388 1.284 0 40 EDAB COC1(CNC(=O)C(=O)NCc2ccccc2)Cc2ccccc2C1 225722146 DUBNMNPWYAYSSK-UHFFFAOYSA-N 338.407 1.603 0 40 EDAB O=C([C@@H](CNC(=O)C(F)(F)Cl)c1ccccc1)N1CCOCC1 195570573 NHWVJDWSJGDURJ-LBPRGKRZSA-N 346.761 1.577 0 40 EDAB O=S(=O)(NCCO)c1cc(C(F)(F)F)ccc1Br 194780619 RBMQFSPFVIUUFF-UHFFFAOYSA-N 348.140 1.739 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)c(F)c1 331408588 IWMMFINKABWFDO-GFCCVEGCSA-N 339.392 1.884 0 40 EDAB C[C@@H](CN1CCOCC1)N(C)S(=O)(=O)c1cccc2cccnc12 331672610 OXXUHAXJVJFWMW-AWEZNQCLSA-N 349.456 1.576 0 40 EDAB Cn1cccc1C(=O)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96072480 WTTGWXDCWGTMIO-YJBOKZPZSA-N 327.384 1.873 0 40 EDAB CCS(=O)(=O)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96048539 VQIZJDQRJKYBQJ-GXTWGEPZSA-N 344.412 1.001 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C[C@H]2C(=O)O)cc1 96198734 OINJSBLQUOUIIA-CVEARBPZSA-N 332.400 1.385 0 40 EDAB CCc1ccc([C@H](COC)NC(=O)c2ccnc(-n3cncn3)c2)o1 96423274 LAZBMWSQCTXYRN-AWEZNQCLSA-N 341.371 1.935 0 40 EDAB COCC(=O)N1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244304 RKTMFEQKVJPYAN-GOSISDBHSA-N 340.383 1.185 0 40 EDAB Cn1cc([C@@H]2CC(=O)NC23CCN(Cc2ccccn2)CC3)cn1 96061490 LTAGLYCQORDFSH-INIZCTEOSA-N 325.416 1.453 0 40 EDAB Cc1nc(CSc2nnnn2CCN(C)C)nc2ccccc12 96455712 WAYAKASLIORAKK-UHFFFAOYSA-N 329.433 1.779 0 40 EDAB CN1CCN(C(=O)c2nn(C)c3c2CN(Cc2ccsc2)C3)CC1 96187560 VDMIQGVNOYJWLV-UHFFFAOYSA-N 345.472 1.385 0 40 EDAB COCCN1CC[C@@H](NC(=O)NCCc2c(F)cccc2F)C1 96413288 SYXLROHNXKCAFV-GFCCVEGCSA-N 327.375 1.527 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 96408571 YRPSESCWOPJMPM-MJBXVCDLSA-N 342.848 1.594 0 40 EDAB O=C(NCc1ccco1)[C@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21 96041179 YXACEVCMEPDQMW-SOUVJXGZSA-N 347.440 1.889 0 40 EDAB O=C(NCCN1CCCC1)[C@H]1C[C@H]2[C@H](CCN2Cc2ccsc2)O1 96183687 BTZUSQWBOKTTDC-YESZJQIVSA-N 349.500 1.692 0 40 EDAB O=C(c1ccco1)N1CCOC[C@]2(C1)CN(c1ccoc1)C(=O)CO2 96051407 JPONTKSTFYUCRY-KRWDZBQOSA-N 346.339 1.147 0 40 EDAB C[C@@H](Cn1cccn1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 97095677 QVWUEVPDMIZRNT-HNNXBMFYSA-N 348.472 1.846 0 40 EDAB C[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nnc2ccccn12 95477016 QPWQBTAZURVJMA-LBPRGKRZSA-N 340.391 1.253 0 40 EDAB Cn1cnn(CC(=O)N2CCC[C@H]2[C@H]2CCCc3ccccc32)c1=O 97233885 DZRGEAUDEDVTAZ-IRXDYDNUSA-N 340.427 1.693 0 40 EDAB CCCS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccs2)C1 96227707 HKQQMKWUSRWQAQ-UKRRQHHQSA-N 342.486 1.816 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCC(=O)NCc2ccncc2)c(C)c1 243504026 NXBWZOOIEXKYCV-UHFFFAOYSA-N 347.440 1.602 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(Cc3cnn(C)c3C)CCN2C)c1 257272730 NDPBLYGZOLKBHA-SFHVURJKSA-N 341.459 1.577 0 40 EDAB Cc1oncc1C(=O)N1CCO[C@H]2CC[C@H]1[C@H]2Oc1ncccc1F 251923350 BMWWQWBIELMDEF-SOUVJXGZSA-N 347.346 1.968 0 40 EDAB O=C(Cc1ccc(Cl)cc1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 585089722 WROQPJZILZNPHW-OAHLLOKOSA-N 343.832 1.299 0 40 EDAB Cc1ccn(Cc2nc(CC(=O)NCc3ccccc3)no2)c(=O)c1 252509578 YQRRSXZJQPOCBQ-UHFFFAOYSA-N 338.367 1.447 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)C3(N)CCCC3)CCO2)n1 257240208 HSNUGCOWZKATAK-MRXNPFEDSA-N 332.448 1.627 0 40 EDAB COC(=O)c1ccc(NC(=O)CSC[C@@H]2CCCCO2)c(O)n1 585124575 IDSIBYGLQQNIHT-JTQLQIEISA-N 340.401 1.815 0 40 EDAB O=C(O[C@H]1CCOC1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 585135238 VYRSUOQOMLVGSS-LSDHHAIUSA-N 344.371 1.566 0 40 EDAB C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)CC(N)=O)[C@@H]1C 585126166 QRHDMTCVBGACIA-IJLUTSLNSA-N 327.425 1.402 0 40 EDAB CO[C@@H](CNC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccccc1 43520571 NJJCBVSTMMSUTH-KRWDZBQOSA-N 339.395 1.844 0 40 EDAB Cc1nn(C)cc1C(=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257272906 NEILOSAKCBSCPH-BRWVUGGUSA-N 329.400 1.819 0 40 EDAB CC(=O)N1CCC[C@H]1c1nc(C)ncc1CNC(=O)c1ncoc1C 257327787 XCTHOBTZDYOBAV-AWEZNQCLSA-N 343.387 1.695 0 40 EDAB O=C(N[C@H]1CCCNC1=O)c1ccnc(Cc2ccc(F)cc2)c1 257228840 FVMQBAZAYLHSLN-INIZCTEOSA-N 327.359 1.820 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC(C)(CC(F)F)C2)C1 606444713 HQUCFFUUQAIYGQ-NSHDSACASA-N 338.420 1.552 0 40 EDAB COc1ccc(S(=O)(=O)Nc2cnc(OC)nc2)c(OC)c1 90607752 QQKGPBZCYLQSTH-UHFFFAOYSA-N 325.346 1.303 0 40 EDAB CCc1cccc(S(=O)(=O)NCc2cncc(C(=O)OC)c2)c1 1615585270 AFQPWLOKNKSEHD-UHFFFAOYSA-N 334.397 1.909 0 40 EDAB C[C@@H]1C[C@H](C(=O)O)CCN1S(=O)(=O)N1CCc2ccccc2C1 391036483 CGWBKRKDXBAOHY-TZMCWYRMSA-N 338.429 1.475 0 40 EDAB CO[C@]1(COc2ccccc2)COCCN(C(=O)c2cncnc2)C1 585268989 GQZOGTPVOXXJAA-SFHVURJKSA-N 343.383 1.413 0 40 EDAB O=C(N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1)[C@@H]1[C@H]2COC[C@H]21 585110642 ROAHYHZATRAAII-BSXFFOKHSA-N 328.412 1.124 0 40 EDAB CC(C)CCNC[C@]1(O)CN(C(=O)Cc2ccccc2)CC[C@H]1O 585283545 ALBJEZIWMYGCTO-MJGOQNOKSA-N 334.460 1.189 0 40 EDAB CCc1oc2ccccc2c1CC(=O)N1CC(N2CC[C@@H](O)C2)C1 585123790 PLRGTSZYHHZEPG-CQSZACIVSA-N 328.412 1.815 0 40 EDAB C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1cccc(Oc2ccccc2)c1 585294798 KKLPTOMFMRPOPN-NUDXDXSLSA-N 329.396 1.766 0 40 EDAB CC(=O)N1CC(F)(F)C[C@]2(CCN(Cc3cccc(C)n3)C2=O)C1 585093068 SEDNOGIOYLLYRN-MRXNPFEDSA-N 337.370 1.996 0 40 EDAB COc1ccc(CN2Cc3ncn(C)c3[C@@H](C(=O)N3CCC3)C2)cc1 585110788 GNELERLUFJNQAV-INIZCTEOSA-N 340.427 1.760 0 40 EDAB CCC(CC)[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1cccs1 56008102 MNZSZPPNWDMZED-INIZCTEOSA-N 349.456 1.902 0 40 EDAB CCN(CCCNC(=O)NCc1ccc(F)cc1)S(C)(=O)=O 56346266 DINYRMPZMCCKQX-UHFFFAOYSA-N 331.413 1.297 0 40 EDAB CN(Cc1cnc(N(C)C)nc1)C(=O)c1ccc(-n2cnnc2)cc1 97057473 ZXVPAGUTJHAZAA-UHFFFAOYSA-N 337.387 1.396 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCC(=O)NC(C)C)[nH]n1 97358533 GXWWJRHYNKWBFP-UHFFFAOYSA-N 332.408 1.072 0 40 EDAB Cc1nccn1-c1ccnc(C(=O)NC[C@@H]2CCNCC2(F)F)c1 1615046615 NSKZEOZLRIZKDB-LBPRGKRZSA-N 335.358 1.550 0 40 EDAB O=C(N[C@H]1COCC[C@@H]1O)c1cc(F)cc(Br)c1F 1615205159 KXWNZSIOOUWJNP-UWVGGRQHSA-N 336.132 1.607 0 40 EDAB O=C([C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12)N1CCOCC1 1772595600 HIHLWHCNJOBMDS-AOIWGVFYSA-N 342.439 1.937 0 40 EDAB CCN1C(=O)NC2(CCN(C(=O)c3c(F)cccc3F)CC2)C1=O 11612483 RNQGRPBCNSGUIF-UHFFFAOYSA-N 337.326 1.511 0 40 EDAB Cc1nccn1CCNC(=O)[C@@H]1ON=C(c2ccc(F)cc2)[C@H]1C 12116880 ROVSJIPBIDNVTN-BDJLRTHQSA-N 330.363 1.886 0 40 EDAB CCCNC(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1OC 13581099 CRKGMSCHXGDVJT-UHFFFAOYSA-N 332.397 1.371 0 40 EDAB O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19292204 BCASGFXUQBYAPV-OAHLLOKOSA-N 339.399 1.965 0 40 EDAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2C(=O)CCc1nc(C)no1 19712370 JRUYHZRPCACMKP-CABCVRRESA-N 334.420 1.703 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H](Oc2nccnc2N(C)C)C1 225507316 WCSBDBOXOLMKPG-LBPRGKRZSA-N 328.438 1.126 0 40 EDAB COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)N1CCOCC1 10885426 YIHNRCYDUQPBNE-NSHDSACASA-N 349.416 1.010 0 40 EDAB CN(C(=O)c1cncc(O)c1)C1CN(c2cc3c(nn2)CCC3)C1 1888844299 SBFITYQJLLXZDO-UHFFFAOYSA-N 325.372 1.027 0 40 EDAB O=C1COC2(CCN(Cc3cnc[nH]3)CC2)CN1c1ccccc1 1136867667 YZUOZULDGCOYGC-UHFFFAOYSA-N 326.400 1.808 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCCC[C@@H]3CC)cnc21 29506166 CRGQNWONCWESPI-ZDUSSCGKSA-N 344.415 1.900 0 40 EDAB Cc1cccc(N2CCN(CCNC(=O)c3ccc(O)nn3)CC2)c1 29843222 AXMGYJYKGJUWHI-UHFFFAOYSA-N 341.415 1.043 0 40 EDAB CN(C)C(=O)c1cnn(CC2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 2037597106 RSTNGAWVIUWHFP-IRXDYDNUSA-N 334.464 1.600 0 40 EDAB Cc1nc2ccc(N3CCN(c4ncc(F)cn4)CC3)nn2c1C 2087139265 RKIRKWMAMOSSFK-UHFFFAOYSA-N 327.367 1.602 0 40 EDAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CCOC2)n1 1565555957 KLABACSJSKJLAL-KBMXLJTQSA-N 329.400 1.128 0 40 EDAB COc1ccc(C)cc1Nc1ccnc2c1c(=O)n(C)c(=O)n2C 12227549 MDSWUOGKVVYLGN-UHFFFAOYSA-N 326.356 1.693 0 40 EDAB CN1CCCc2cc(CCNC(=O)C(=O)Nc3nccs3)ccc21 13006893 ZYBBSBCJWUIWOY-UHFFFAOYSA-N 344.440 1.823 0 40 EDAB Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)c2ccccc2)c1=O 23109214 SKRYGAFVDHAQJB-UHFFFAOYSA-N 341.367 1.110 0 40 EDAB CCN=c1nc(N2CCN(Cc3cccc(OC)c3)CC2)cc(C)[nH]1 2069618809 FCZBRQKTPVOVQR-UHFFFAOYSA-N 341.459 1.970 0 40 EDAB CCOC(=O)CNC(=O)CN1CCN(c2ccc(C(C)C)cc2)C1=O 49026369 DXPIWHJFZSVABZ-UHFFFAOYSA-N 347.415 1.731 0 40 EDAB CCOC(=O)[C@H]1C(=O)CC(=O)[C@H](C(=O)OCC)C1c1ccccc1 100099391 WUYSYSSMKKOSRN-HOTGVXAUSA-N 332.352 1.671 0 40 EDAB Cc1ccc([C@H](C)NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)o1 50138685 YAIYHLBURKFTPM-AWEZNQCLSA-N 349.431 1.929 0 40 EDAB CN1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 20129957 MAMJCNSCIAPPRH-UHFFFAOYSA-N 341.452 1.226 0 40 EDAB NC(=O)Cn1cc(NC(=O)c2ccn(-c3ccccc3Cl)n2)cn1 50581418 NIZNJUUUKIPTSJ-UHFFFAOYSA-N 344.762 1.460 0 40 EDAB COc1ccc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1F 40477294 ZABVGKCKZFQNCU-JTQLQIEISA-N 334.399 1.861 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)N[C@H](C)Cn3cccn3)CC2=O)cc1 31400794 NXWUKNXQIOZOSI-KGLIPLIRSA-N 342.399 1.450 0 40 EDAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 40540107 LVLOKLWYLDWRFU-HUUCEWRRSA-N 333.367 1.200 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nncn3C)C2)cc1 40513451 QMEDOSSSZKAJRI-GFCCVEGCSA-N 336.417 1.392 0 40 EDAB COc1ccccc1CC(=O)N1CCC(CN2CCOCC2)CC1 40539528 YPEWXJDYTQUQKD-UHFFFAOYSA-N 332.444 1.809 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)nc(C(C)C)n1 32272211 HSHNHOGVNQXFHE-CQSZACIVSA-N 345.447 1.035 0 40 EDAB O=C1CCc2cc(S(=O)(=O)NCCN3CCCCC3)ccc2N1 46034722 UWBZCDMNZHXCOB-UHFFFAOYSA-N 337.445 1.336 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)C 46034982 WXKZKVSKASDEJV-CYBMUJFWSA-N 330.425 1.915 0 40 EDAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)c(O)c1 132755 VEWYEXMJTSUDFR-CQSZACIVSA-N 330.344 1.844 0 40 EDAB c1ccc(-n2nnnc2NC[C@]2(N3CCOCC3)CCSC2)cc1 29625776 MEJDLULXRLGPCV-MRXNPFEDSA-N 346.460 1.282 0 40 EDAB O=C(Nn1cnnc1S)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 32795819 CBDTUBFSLBKWQE-MRVPVSSYSA-N 337.792 1.343 0 40 EDAB OC1CCN(c2ncnc3c2nnn3Cc2ccccc2F)CC1 1349139 WMLYNGKJGAGTRQ-UHFFFAOYSA-N 328.351 1.370 0 40 EDAB O=C(CCSc1n[nH]c(=O)n1C1CC1)N1CCc2ccccc21 32871248 WARFYLWUAVKDAC-UHFFFAOYSA-N 330.413 1.978 0 40 EDAB CC(C)[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1cccs1 21669598 GHNBHCWCUHXBPM-WCQYABFASA-N 330.475 1.985 0 40 EDAB O=C(c1ccc(N2CCOCC2)nc1)N1CCO[C@H]2CCCC[C@@H]21 46494508 RJAVDVPNHNQLMY-HOTGVXAUSA-N 331.416 1.702 0 40 EDAB CCOC(=O)N1CCC2(CC1)C(=O)N(CO)CN2c1ccccc1 4272139 GNRUADBGDJQTSK-UHFFFAOYSA-N 333.388 1.234 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cn2)n1 32977346 ITLNJOYZAPPCSM-AWEZNQCLSA-N 348.428 1.143 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 32923698 JSAIVFWBYVKTNW-VIFPVBQESA-N 338.355 1.261 0 40 EDAB O=S1(=O)C[C@H]2NC(=S)N(c3ccc(Br)cc3)[C@H]2C1 6719356 WPOMZPKAPJRDOQ-ZJUUUORDSA-N 347.259 1.309 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2)s1 6817759 XWBOCPNYXKQISL-UHFFFAOYSA-N 326.403 1.365 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccccc2O)CC1 33002130 BVZBJBVINGORDU-SFHVURJKSA-N 340.379 1.881 0 40 EDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)CC2CC2)C1=O 53141110 YEHCFTUFYBYMSM-SFHVURJKSA-N 347.390 1.851 0 40 EDAB Cc1cccc(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c1 69738693 BIRVACPVSWPXMN-UHFFFAOYSA-N 345.428 1.243 0 40 EDAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCCCn1cncn1 41862982 JPXGNHGWFSPPKO-AWEZNQCLSA-N 327.388 1.376 0 40 EDAB CC[C@H](C(=O)Nc1ccccc1)N1CCN(CC(=O)NC2CC2)CC1 22847317 FNTWRHXIAKLVIY-QGZVFWFLSA-N 344.459 1.300 0 40 EDAB CC[C@H]1[C@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O 100068171 CJDRUOGAGYHKKD-AIJSTZPPSA-N 326.440 1.555 0 40 EDAB in-vitro Cc1cc(CN2CCN(C(=O)N[C@@H]3CCN4CCCC[C@H]34)CC2)on1 47105565 UWZBYBZJIMKTEF-IAGOWNOFSA-N 347.463 1.437 0 40 EDAB COC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 25440843 SBLBDQPHRJLVHP-SNVBAGLBSA-N 334.825 1.257 0 40 EDAB COc1ccc(CNC(=O)C(=O)NCc2cccc(OC)c2)cc1 9913963 JMKHGMIXZCXEIC-UHFFFAOYSA-N 328.368 1.636 0 40 EDAB Cc1cc(NC(=O)CN(C)C(=O)c2cc3c(C)nn(C)c3s2)no1 54465079 RHJYSIVSPOVATL-UHFFFAOYSA-N 347.400 1.950 0 40 EDAB CS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1ccccc1F 113966239 UZAASIJYWQXVAP-UHFFFAOYSA-N 344.408 1.231 0 40 EDAB CCn1cnnc1C1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 75603061 KXPYVVDRPVMMGD-CYBMUJFWSA-N 331.420 1.015 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)Nc1ccc(N2CCCS2(=O)=O)cc1 42854930 INVIOROAEBGSSN-STQMWFEESA-N 339.461 1.942 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cnc2ccccc2c1 105947508 JEBANTWCELVJON-RPLLJCPNSA-N 347.374 1.980 0 40 EDAB Cc1cccc(NC[C@H]2CCN(c3nc4[nH]ncc4c(=O)[nH]3)C2)n1 97097205 OHCIGAHMVYDRJX-LLVKDONJSA-N 325.376 1.288 0 40 EDAB COCCn1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cn1 43238392 DFGPRKJPVGQHTK-INIZCTEOSA-N 343.431 1.926 0 40 EDAB C[C@H]1CN1C(=O)c1cc(C(=O)N2C[C@@H]2C)cc(C(=O)N2C[C@@H]2C)c1 100261559 PBWSPPTYGLDOFW-DEBJPHTRSA-N 327.384 1.220 0 40 EDAB CCc1cc(=O)[nH]c(-c2ccc(NCCNC(=O)C(C)(C)C)nc2)n1 78516237 IMXVCKYDQQZXNV-UHFFFAOYSA-N 343.431 1.969 0 40 EDAB CN(Cc1cn2c(n1)CN(C[C@H]1CCOC1)CC2)Cc1ccco1 107213207 RSMDXPSXKDHCJZ-OAHLLOKOSA-N 330.432 1.960 0 40 EDAB CN(C)CCCNC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C 100217134 GHJVQEULJIRVQR-SUNYJGFJSA-N 329.400 1.142 0 40 EDAB O=C1CCCc2[nH]c(=O)c(C(=O)NCCOc3ccccc3)cc21 25984634 IVYBXRCWFFHWEC-UHFFFAOYSA-N 326.352 1.703 0 40 EDAB CCOC(=O)[C@H](C)NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 58018398 GWXPLQUCWDPCPX-JTQLQIEISA-N 333.319 1.053 0 40 EDAB O=S(=O)(N1CCCCC1)N1CCO[C@H](c2ccc(F)cc2)C1 44783191 UCWDHGVDUJVKJB-HNNXBMFYSA-N 328.409 1.930 0 40 EDAB CC(C)(CNC(=O)CCc1ccc2c(c1)OCO2)N1CCOCC1 44891499 UVHWHTMZSQPBJU-UHFFFAOYSA-N 334.416 1.575 0 40 EDAB O[C@H](COc1ccc(F)cc1)CN1CCN(c2nccs2)CC1 44894438 QUNYOZNXYKDKBC-AWEZNQCLSA-N 337.420 1.844 0 40 EDAB Cn1ccnc1[C@H](NC(=O)NC[C@H]1CCOC1)c1ccccc1F 48256040 ZFAZHMBQHLMTFY-IUODEOHRSA-N 332.379 1.984 0 40 EDAB Cc1c(C)n(C[C@@H](O)CN(CCO)CCO)c2c(Cl)cccc12 28296747 KIXSQXBWSZXCPF-AWEZNQCLSA-N 340.851 1.559 0 40 EDAB O=C(NCCCn1cccn1)N[C@@H]1CCCN(c2ncccn2)C1 44968433 DIPCPZGLHGNPIN-CQSZACIVSA-N 329.408 1.031 0 40 EDAB O=C(NCCNc1cnccn1)c1cccc(OC[C@@H]2CCCO2)c1 44915347 MXQAHBFZHFHZDP-INIZCTEOSA-N 342.399 1.876 0 40 EDAB CN1CCN(C2(CNC(=O)Nc3cn[nH]c3)CCCCCC2)CC1 44970703 WNHPZCHBUXQZJI-UHFFFAOYSA-N 334.468 1.872 0 40 EDAB O[C@H](COCc1ccc(Cl)cc1)Cn1nnc(-c2cccnc2)n1 58393082 HTIBWKTZNXCJQR-HNNXBMFYSA-N 345.790 1.966 0 40 EDAB CCn1cnnc1CNC(=O)[C@H](c1ccccc1)N1CCSCC1 58378437 DAWUASQGVGDSNE-INIZCTEOSA-N 345.472 1.704 0 40 EDAB COc1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1C 58393986 AWLPUFFJYOVOSC-MRXNPFEDSA-N 345.443 1.558 0 40 EDAB Cc1ccccc1C[C@H](C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 58314579 VFUJUNSSHFNZSI-DZGCQCFKSA-N 341.498 1.963 0 40 EDAB CCN(CC)C(=O)CSc1nnc(-c2ccccc2OC)n1N 3368284 BQSJVNKHPLPZIH-UHFFFAOYSA-N 335.433 1.628 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCN(C(C)C)CC3)cnc12 45429576 XLOCBSCYJFAPPJ-UHFFFAOYSA-N 328.416 1.258 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)NC[C@@H](C(C)C)N1CCOCC1 45487122 BKUNBQMGIHSKBV-INIZCTEOSA-N 338.452 1.790 0 40 EDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)N[C@H]1CCCc2ccccc21 11233422 CZYKDTYJBHFVRW-SKDRFNHKSA-N 344.444 1.710 0 40 EDAB CN1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 306130281 JBGKKFDECJYLBY-CABCVRRESA-N 345.424 1.348 0 40 EDAB COC[C@@H](C)NC(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C 69845068 PIXZFJRWSUWMJE-LLVKDONJSA-N 343.449 1.920 0 40 EDAB NS(=O)(=O)c1ccc(CC(=O)N2CCOc3ccccc3C2)cc1 69918518 BOLWATJIQDJEBN-UHFFFAOYSA-N 346.408 1.298 0 40 EDAB C[C@@H](CCc1ccccc1)NC(=O)Cn1nnc2ccccc2c1=O 3579146 FEXLWTJLSANFCR-AWEZNQCLSA-N 336.395 1.929 0 40 EDAB CCOC(=O)c1sc2nc(O)n(CCCN(C)C)c(=O)c2c1C 8738023 OEGKIKNXEUKFNO-UHFFFAOYSA-N 339.417 1.600 0 40 EDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCSCC1)C2=O 49214989 JCQLOPRDFLPBJW-UHFFFAOYSA-N 339.461 1.453 0 40 EDAB COc1cc(OC)c(NC(=O)CCN2C(=O)CCC2=O)cc1Cl 21588556 AHYKWGWHJDMJCG-UHFFFAOYSA-N 340.763 1.835 0 40 EDAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CCCC1 6219389 KDOXJAAUWCHFQD-OAHLLOKOSA-N 340.383 1.253 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 65451759 WRBJZYTZDGVATK-INIZCTEOSA-N 342.447 1.934 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccon3)C2=O)cc1 14076457 UCCBMLYINSWZRK-INIZCTEOSA-N 328.328 1.389 0 40 EDAB CNC(=O)CC1CCN(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 96444906 BBYMDCQPMNVLCB-OAHLLOKOSA-N 336.480 1.561 0 40 EDAB COC(=O)c1ccc(NC(=O)NCCCS(C)(=O)=O)c(C)c1 65610413 YCVHYHITXKZBCC-UHFFFAOYSA-N 328.390 1.338 0 40 EDAB Cc1cc(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)[nH]n1 65609974 YYJPGGYJEKKSCU-UHFFFAOYSA-N 334.342 1.445 0 40 EDAB CC(C)n1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 96420861 BAWJQOGYIVCPJJ-GOSISDBHSA-N 342.443 1.981 0 40 EDAB Cc1cccnc1CN1CCN(S(=O)(=O)Cc2ccon2)CC1 93176988 YIKPCKDYYBOBCI-UHFFFAOYSA-N 336.417 1.026 0 40 EDAB CCOC(=O)C(=O)Oc1c(CC)c(C)nn1-c1nc(C)cc(C)n1 9134991 YWZLFLFGMSVOPR-UHFFFAOYSA-N 332.360 1.618 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCNC1 71397489 SECYGLYUXCXECI-JTQLQIEISA-N 349.250 1.488 0 40 EDAB CCCCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 15631581 WUTWPXDWTJTABG-UHFFFAOYSA-N 345.355 1.132 0 40 EDAB Cc1ccccc1OCCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 7416462 IDJSKWVIKHQUMS-UHFFFAOYSA-N 348.790 1.475 0 40 EDAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)COC 217529247 KIYIMOGBROJIAI-MNOVXSKESA-N 344.433 1.908 0 40 EDAB C[C@H](C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1)n1cncn1 96010031 BOUJCQKBGRMQES-GFCCVEGCSA-N 349.822 1.963 0 40 EDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c(=O)cnc2ccccc21 7814753 URGQUNVTDCSHAO-KRWDZBQOSA-N 349.390 1.713 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1S(C)(=O)=O 96000364 AJUNJFJCSTUYKV-OAHLLOKOSA-N 335.429 1.822 0 40 EDAB NC(=O)[C@H]1CCCN(c2cnn(-c3ccccc3)c(=O)c2Cl)C1 8063865 NCGFOVHVYPIFRM-NSHDSACASA-N 332.791 1.588 0 40 EDAB COc1ccc(Cc2c(OC(C)=O)nc3n(c2=O)CCS3)cc1 9305132 JDJDBINOGALSBP-UHFFFAOYSA-N 332.381 1.874 0 40 EDAB Cc1nc(-c2cccc(NC(=O)C(=O)NCCc3ccco3)c2)n[nH]1 77685916 DXVLERDNELXLFA-UHFFFAOYSA-N 339.355 1.671 0 40 EDAB Cc1cccc(CN2CCCC[C@H]2C(=O)OCC(=O)NC(N)=O)c1 70011918 COUZOLJRCKHLMH-AWEZNQCLSA-N 333.388 1.088 0 40 EDAB COc1ccc(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1 17011643 LKDFGHBYCPGQQN-ZDUSSCGKSA-N 349.412 1.812 0 40 EDAB Cc1cc(NC(=O)CCN2C(=O)N[C@@](C)(c3ccsc3)C2=O)no1 69432294 URJKNOHZPQSFDE-HNNXBMFYSA-N 348.384 1.840 0 40 EDAB COCCn1nc(C(=O)NCCSc2ccc(C)cc2)ccc1=O 9315378 DIPVYJGERKFESK-UHFFFAOYSA-N 347.440 1.720 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)Nc3ccn(C)n3)CC2=O)cc1 69559266 OTBIVUGDWYGSNV-ZDUSSCGKSA-N 328.372 1.416 0 40 EDAB COc1ccc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)cn1 69530393 MLCREFDLGYGNNO-STQMWFEESA-N 334.420 1.679 0 40 EDAB CC(C)(C)c1cc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)no1 69531351 MDUKSWFOTUQHSF-UHFFFAOYSA-N 344.362 1.320 0 40 EDAB COC(=O)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O 9512133 PXXSLQLAXIHQML-CYBMUJFWSA-N 341.161 1.389 0 40 EDAB C[C@H](c1ccccc1F)N1CCN(CCNS(C)(=O)=O)CC1 71897091 GSPCMNHDVUACSU-CYBMUJFWSA-N 329.441 1.054 0 40 EDAB CCOC(=O)CN(C)Cc1nc2ncc(Br)cc2[nH]1 72290406 QQCGTWVSWCWBMT-UHFFFAOYSA-N 327.182 1.715 0 40 EDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCCC[C@@H]1Cn1cccn1 71865039 BGOMOGKIIOXXTC-MRXNPFEDSA-N 337.387 1.554 0 40 EDAB Cc1cc(NC(=O)CN(C)[C@H]2CCCN(Cc3noc(C)n3)C2)on1 72234568 VSCKUCNPZQYVMS-ZDUSSCGKSA-N 348.407 1.209 0 40 EDAB O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCS(=O)(=O)CC1 72294071 RGNGDJRFSQJQHM-QWHCGFSZSA-N 328.821 1.636 0 40 EDAB CCn1nc(C)cc1C(=O)NC[C@@H](CO)Cc1ccc(OC)c(O)c1 83836802 PJIXKKZHBXGDBV-AWEZNQCLSA-N 347.415 1.507 0 40 EDAB CC[C@H](C)[C@](C)(O)CNC(=O)CCN1C(=O)c2ccccc2C1=O 71916754 GQJQAYNESMAKSN-KPZWWZAWSA-N 332.400 1.586 0 40 EDAB O=C(Nc1cc(-n2nnnc2C2CC2)ccc1F)N1CCC[C@@H](O)C1 71921432 NJYKILFYODRYGX-GFCCVEGCSA-N 346.366 1.667 0 40 EDAB Cc1ccc(CC(=O)N2CCO[C@@H](c3nc(C(C)(C)C)n[nH]3)C2)cn1 78890079 JOORZFMNOLHPSR-CQSZACIVSA-N 343.431 1.948 0 40 EDAB CCCc1cc(NC(=O)N2CCCN(C(=O)C3CC3)CC2)n(C)n1 97103421 GLOOPEUQJFOEEC-UHFFFAOYSA-N 333.436 1.849 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1Cc3ccccc3C(=O)O1)C2 97198810 OHXBSPNWIDCQGC-UKRRQHHQSA-N 325.368 1.404 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(C)o2)C1 97235625 CZAFMFNJGBFYCG-CYBMUJFWSA-N 338.433 1.492 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCCNc2ccccn2)[C@@H]1c1ccccc1 95396239 YCXAIQZTCKRKOY-QAPCUYQASA-N 338.411 1.829 0 40 EDAB O=C(Cn1cnnn1)N[C@H](c1cccc(Cl)c1)c1ccccn1 84609849 WPGAIVHHVARQEP-OAHLLOKOSA-N 328.763 1.627 0 40 EDAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OC)c(O)c1 85413688 JKVQFTBSHMHNSH-UKRRQHHQSA-N 332.308 1.728 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N1CCN([C@@H](C)c2ccccn2)CC1 95943249 XIIDMPRHBBIYKF-GJZGRUSLSA-N 343.435 1.150 0 40 EDAB C[C@@H](CC(=O)NC[C@@H](c1cnn(C)c1)N(C)C)NC(=O)C1CCCC1 75140634 QCSVQLOHCUBNCU-BBRMVZONSA-N 349.479 1.224 0 40 EDAB COc1ccccc1NC(=O)Nc1cnn(C[C@H](O)CN(C)OC)c1 75143683 DZDCKMIAEZANCA-CYBMUJFWSA-N 349.391 1.390 0 40 EDAB CC(C)[C@@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 75116552 NFMMDTBYYXORDC-LPHOPBHVSA-N 332.444 1.743 0 40 EDAB Cc1cc(C)c2c(OCC(=O)N3C[C@H](C)[C@@H](N(C)C)C3)nn(C)c2n1 89600754 YCJRFWQOASJTNG-JSGCOSHPSA-N 345.447 1.372 0 40 EDAB NC(=O)c1ccc(OCC(=O)Nc2cccc(CC(=O)O)c2)cc1 89780531 RTLROKIEAMYNMY-UHFFFAOYSA-N 328.324 1.430 0 40 EDAB Cc1cc(N(C)C)nc(N[C@H]2CCCN(Cc3noc(C)n3)C2)n1 75584720 ONMIUSYCEXAJNL-ZDUSSCGKSA-N 331.424 1.619 0 40 EDAB NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Nc1cccc(OCC(F)(F)F)c1 75572588 GQJUUWPITQDPOF-MWLCHTKSSA-N 347.293 1.080 0 40 EDAB Cc1cccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)c1 27526541 XJAQDPZFKDDFOW-UHFFFAOYSA-N 347.425 1.894 0 40 EDAB COC(=O)c1ccc(N2CCNCC2)c(I)c1 39952466 KFSKJNMIGHESTC-UHFFFAOYSA-N 346.168 1.487 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)O)c(F)c1 548528660 BLCWNIGYRJQUHN-JQWIXIFHSA-N 331.365 1.292 0 40 EDAB C[C@@H]1c2nc(C(=O)NCc3ncccn3)cn2CCN1CC1CCC1 306143687 YJCQXHUQYJQTJZ-CYBMUJFWSA-N 340.431 1.780 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CC)cc1 408596342 SCQOINRLZVZVJX-VXGBXAGGSA-N 328.434 1.667 0 40 EDAB Cc1c(CC(=O)NCCn2cccc2)c(=O)oc2cc(O)ccc12 524730168 YDJYFEOPPAKLBM-UHFFFAOYSA-N 326.352 1.967 0 40 EDAB biogenic COc1ccc([C@H](NC(=O)NC[C@@H]2CCN(C)C(=O)C2)C2CC2)cn1 528025978 KJKFXXLYQQUFEW-SJKOYZFVSA-N 346.431 1.709 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 551899410 FFZUEPYCFVVFBE-GVDBMIGSSA-N 339.457 1.936 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccncc2)CC1)OCC(F)(F)F 78882919 KCAWOTLEDRQQHG-UHFFFAOYSA-N 346.309 1.019 0 40 EDAB COCC(=O)N1CCC[C@H]1c1cc(Nc2ncccn2)nc(C)n1 72360279 DGOXKCPMHVAFBY-ZDUSSCGKSA-N 328.376 1.629 0 40 EDAB O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1cccs1 70922914 PAJXCEYUCHYHSC-UHFFFAOYSA-N 338.458 1.733 0 40 EDAB O=C(O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 35587897 PAIVQYNHWNPGDH-JTQLQIEISA-N 328.353 1.704 0 40 EDAB COc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1 72227666 ZRDYTUZRYKIIDL-DLBZAZTESA-N 326.352 1.882 0 40 EDAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)[C@@]2(COC)C(=O)O)cc1 218471086 IKRLAWHJHXNVRB-LZWOXQAQSA-N 326.414 1.867 0 40 EDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)Cn1ccc(C(F)(F)F)n1 79042269 OZCPCHSZAIPISZ-VIFPVBQESA-N 341.355 1.184 0 40 EDAB CCCc1nnsc1C(=O)N1CCN(CCn2cccn2)CC1 62022030 BYPROVDIJFNFQH-UHFFFAOYSA-N 334.449 1.145 0 40 EDAB O=C1C[C@@H](C(=O)NC[C@@H]2CCCO2)[C@@H](c2ccc3c(c2)OCCO3)O1 66088335 ZQTKUYRERVQWEM-OGHNNQOOSA-N 347.367 1.357 0 40 EDAB O=c1c2c(-c3ccc(F)cc3)n3ncnc3nc2ccn1CCCO 40398289 PIXHMPFLEIRZOS-UHFFFAOYSA-N 339.330 1.628 0 40 EDAB COc1cc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)ncn1 225530229 NEPCQPOCIPLJQD-UHFFFAOYSA-N 347.338 1.842 0 40 EDAB COCCNC(=O)Cn1ccc(=O)c2ccc(Br)cc21 225737964 BERJCNKTFBXVNK-UHFFFAOYSA-N 339.189 1.527 0 40 EDAB O=C(C[C@H](O)Cc1ccccc1)N1CCC[C@H]1c1ccc(O)nn1 530077219 AQJFPQWNIFKPMC-ZBFHGGJFSA-N 327.384 1.839 0 40 EDAB COc1cc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc2c1OCCO2 85878813 INEIYIIKOVYVSC-NSHDSACASA-N 343.335 1.904 0 40 EDAB biogenic O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2ccc(Cn3cccn3)o2)C1 226745601 DLMHVXUDNNCXMY-CYBMUJFWSA-N 342.399 1.655 0 40 EDAB CCCCNC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 222555620 VWCSJOKNLQADMV-UHFFFAOYSA-N 342.461 1.794 0 40 EDAB O=C1CO[C@]2(COCCN(Cc3ccoc3)C2)CN1c1cccnc1 96051333 JCJPNHFQFQDDOB-SFHVURJKSA-N 343.383 1.309 0 40 EDAB Cc1ccc(NCc2cnc3n2CCN(C[C@@H]2CCOC2)CC3)nn1 96197135 UABXYRDJIBIDEQ-HNNXBMFYSA-N 342.447 1.488 0 40 EDAB CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[C@@H](C)Cn2ccnc2)C1 96420666 ZNUKLMCXIJYIQY-HOTGVXAUSA-N 349.479 1.856 0 40 EDAB O=C(C[C@H]1CO[C@@H]2CN(Cc3ccncc3)C[C@@H]21)N1CCCCO1 96216818 XLPYQFGLPDLJPA-GVDBMIGSSA-N 331.416 1.473 0 40 EDAB Cc1cccnc1NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 96115358 YBDJVJLWQFLZAF-AWEZNQCLSA-N 338.367 1.859 0 40 EDAB biogenic CC(C)Cn1cnc(S(=O)(=O)N2CC[S@](=O)C(C)(C)C2)c1 96475486 NTZSATRVSMLIGH-HXUWFJFHSA-N 333.479 1.071 0 40 EDAB O=C(CC1CC1)NCc1cn2c(n1)CN(CC1CCOCC1)CC2 96059459 MROAEHCSCIQRKO-UHFFFAOYSA-N 332.448 1.542 0 40 EDAB C[C@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1C1CCC1 96109821 FVMBIJOUVIFSDY-AWEZNQCLSA-N 332.448 1.951 0 40 EDAB Cn1ccc(C(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)n1 96192335 HLVHOFCIRNQYSD-UHFFFAOYSA-N 326.278 1.807 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(c1ncc(F)cn1)C2 96039521 BIKOPFBPLLYMBT-DOTOQJQBSA-N 338.427 1.569 0 40 EDAB Cn1cc(CN2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)cn1 96055177 JMUSMSCRIPKWPQ-RTBURBONSA-N 341.459 1.538 0 40 EDAB COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3scnc3C)C[C@@H]2O1 96043182 LTJYJGJTQZPMOE-MJBXVCDLSA-N 339.461 1.194 0 40 EDAB COCCN(C)C(=O)c1ccc2nnc([C@H]3CCN(C(C)C)C3)n2c1 96267458 SBHTZFOTNCEJGG-AWEZNQCLSA-N 345.447 1.645 0 40 EDAB CO[C@@]1(C)CCCN(C(=O)Nc2cnc(N3CCNCC3)nc2)CC1 333321162 MYVFPXHPJVIBJX-KRWDZBQOSA-N 348.451 1.309 0 40 EDAB O=C(Cc1ccccn1)N1CCC2(CC1)CC(N1CCOCC1)C2 96159245 KFIMNIQFCIOTPB-UHFFFAOYSA-N 329.444 1.728 0 40 EDAB CCCC(=O)N1CCC2(CC1)CN(Cc1cccc(C)n1)C(=O)CO2 96201463 JGEZFLONEZBMLP-UHFFFAOYSA-N 345.443 1.910 0 40 EDAB Cn1ccnc1CN1CCO[C@H]2[C@@H]1CC[C@@H]2CNc1cccnc1 96250165 UIMFYXXDDXGCSG-UWWQBHOKSA-N 327.432 1.907 0 40 EDAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(C(=O)c4ccccc4)CC[C@@H]23)n1 96216758 STJNEDFDCYXATO-OAGGEKHMSA-N 326.400 1.833 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C 96446883 IZHKKFHXDOOBOI-OLZOCXBDSA-N 332.448 1.685 0 40 EDAB COCCN1CCC[C@]2(CCN(Cc3[nH]nc(C)c3Cl)C2)C1=O 91966460 UVLBFBPUYXVQKV-MRXNPFEDSA-N 340.855 1.832 0 40 EDAB CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1cccnc1)C2 96060871 RKSMHXHVQMJDIS-INIZCTEOSA-N 344.463 1.371 0 40 EDAB Cn1ncc2c1[C@H](COCC1CC1)N(C(=O)c1ccncn1)CC2 96044505 UJGBBINVHXMXHL-HNNXBMFYSA-N 327.388 1.376 0 40 EDAB C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](C)C(=O)N1CCOCC1 96430765 QZFRGYMNCNYVEK-ZIAGYGMSSA-N 336.407 1.758 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N1CCN(Cc2ccon2)CC1 96439521 BFXZREKKNCCHFH-GFCCVEGCSA-N 346.435 1.613 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(N)C(=O)O 242522161 IJSYYZNIRUEONY-CKYFFXLPSA-N 348.218 1.132 0 40 EDAB COC(=O)C1(CNC(=O)Cc2cccnc2Br)CC1 585089471 PLBTVRKPZPTGCC-UHFFFAOYSA-N 327.178 1.456 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)CC2CCCC2)C1 257217553 CZLRFUGNIHNYGI-LBPRGKRZSA-N 325.434 1.709 0 40 EDAB CC(=O)NCc1cnc([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)[nH]1 257228483 FUBMRBUGAPNWGL-CYBMUJFWSA-N 348.428 1.224 0 40 EDAB Cc1cc(C)nc(Nc2cccc(C3CCN(CC(N)=O)CC3)n2)n1 257302403 SCUSMJOXVWLYPZ-UHFFFAOYSA-N 340.431 1.897 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)c3cn4c(C)cccc4n3)CCO2)n1 257268838 MNKYQBOOEJLDBN-INIZCTEOSA-N 337.383 1.955 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cnn(C)c3)CCO2)n1 257305306 SPIPAPALUZATRX-INIZCTEOSA-N 329.404 1.403 0 40 EDAB COc1ccccc1[C@@H]1CN(Cc2cnccn2)CCN1C(C)=O 257208002 BKGMMQQTSYIFNQ-KRWDZBQOSA-N 326.400 1.891 0 40 EDAB CCn1nccc1-c1nccnc1[C@@H]1CCCN(S(C)(=O)=O)C1 257319547 VSZFLLCOQAPTOA-GFCCVEGCSA-N 335.433 1.499 0 40 EDAB Cc1noc([C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]2c2ccccc2)n1 253473620 WTWSRUCGFNNSOW-HZPDHXFCSA-N 337.383 1.984 0 40 EDAB CNC(=O)c1cc(C[C@H]2CCCN(C(=O)c3ccncc3)C2)ncn1 257251436 JQTFNRVIOZELBV-CYBMUJFWSA-N 339.399 1.326 0 40 EDAB Cc1cc(C)n(CCCC(=O)N2CCOC[C@@H]2c2[nH]ncc2C)n1 257236208 HBEYSPLZVMAESK-OAHLLOKOSA-N 331.420 1.912 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)COc2cccc(F)c2)CCO1 257343668 ZTYDCVIXUSSJCA-AWEZNQCLSA-N 346.362 1.636 0 40 EDAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](O)c2cnn(C)c2)CC1 252498790 RLFBIXCKBNRZKE-INIZCTEOSA-N 348.834 1.764 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 257294897 QWENQQBVBPARLS-BRWVUGGUSA-N 329.400 1.901 0 40 EDAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCNC4)nc32)cc1 257244065 IJRYAZSVWQKMBT-AWEZNQCLSA-N 338.411 1.960 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 42533272 NMKYZVOHZNXYBX-XJKSGUPXSA-N 342.399 1.819 0 40 EDAB CC(=O)N(C)[C@@H]1CO[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C[C@@]1(C)O 257292742 QMTZXTITKPUTKJ-MTQWCTHYSA-N 346.471 1.895 0 40 EDAB Cc1cc(CC2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)ccn1 257287568 PQMPFWRWAXOSLV-UHFFFAOYSA-N 340.427 1.736 0 40 EDAB Cc1cnc(C(=O)NCCn2c(C)nc3sccc3c2=O)cn1 253471875 GHVGQPBHUPHZSO-UHFFFAOYSA-N 329.385 1.295 0 40 EDAB Cn1c(O)ncc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c1=O 262830621 RYBAGZCWVVISHF-UHFFFAOYSA-N 331.328 1.100 0 40 EDAB COC(=O)Cc1cccc(NC(=O)Nc2ccc(OC)nc2OC)n1 1615054883 BPVVYWSEUVNCRR-UHFFFAOYSA-N 346.343 1.853 0 40 EDAB O=C(c1ccn(CC(F)(F)F)n1)N1CC(Oc2nccs2)C1 1615589438 BPJBRJBEUWFRCC-UHFFFAOYSA-N 332.307 1.805 0 40 EDAB Cn1cncc1C1CCN(C(=O)NCCN2CCOCC2(C)C)CC1 1615615864 SQXCNNCTJPVYMX-UHFFFAOYSA-N 349.479 1.420 0 40 EDAB C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1Cc2cc(F)ccc2NC1=O 1616037485 BVEACNWGCGRYOG-HONMWMINSA-N 336.363 1.247 0 40 EDAB O=C(COc1ccc(F)cc1)NCc1cn(-c2ccncc2)nn1 390832097 XGDZPYYSTBLNMT-UHFFFAOYSA-N 327.319 1.497 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 575402531 CAKVTHWNUWNKOM-HNNXBMFYSA-N 340.445 1.571 0 40 EDAB COc1cccc2cc(C(=O)NCCOCCn3cncn3)oc12 585150536 YWYQCKAKYKJOOX-UHFFFAOYSA-N 330.344 1.480 0 40 EDAB CO[C@H]1CCN(CC(=O)Nc2ccn(C)n2)C[C@H]1Cc1ccccc1 585275540 CKGNKZWIEODWFP-SJORKVTESA-N 342.443 1.938 0 40 EDAB Cc1cc(CN2Cc3ccnn3[C@@H](CCN3CCCC3)C2)n(C)n1 585112756 VWAITRCJCORMCH-KRWDZBQOSA-N 328.464 1.968 0 40 EDAB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 585289560 JUYZOICVZYNBGH-AOYZLZMISA-N 346.475 1.496 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)Cn2nnc(-c3cccnc3)n2)c1 58023638 FZLLHUBXKUXASW-OAHLLOKOSA-N 325.372 1.792 0 40 EDAB Cc1ccccc1CN(C)S(=O)(=O)C1CCS(=O)(=O)CC1 58086511 PJINNUPUWIVBJU-UHFFFAOYSA-N 331.459 1.334 0 40 EDAB CC(C)n1ncc2c(C(=O)NCc3n[nH]c(=O)[nH]3)cc(C3CC3)nc21 72311725 DOXSFXQLIDJEHP-UHFFFAOYSA-N 341.375 1.231 0 40 EDAB O=S(=O)(NCCCn1cccn1)c1cc(Cl)cc2c1OCC2 96009875 PAPJFPRQRYZBRS-UHFFFAOYSA-N 341.820 1.840 0 40 EDAB O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc[n+]([O-])c1 80401987 NISWRHGITAUDFO-UHFFFAOYSA-N 347.365 1.993 0 40 EDAB Cc1cc2c(cc3c(=O)n(CC(=O)NC4CCCC4)nc(C)n32)o1 12115502 HAAPLWUTKYUKKQ-UHFFFAOYSA-N 328.372 1.918 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 12922737 LWBQLBKAPRSFJE-LLVKDONJSA-N 328.372 1.938 0 40 EDAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2C)cc1 14153195 SDKSUHYFBRXNQU-UHFFFAOYSA-N 341.367 1.697 0 40 EDAB CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 16610182 WHRZLOPWKKCKAE-LBPRGKRZSA-N 328.434 1.539 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@@]3(CC=CNC3=O)C2)c1C 19524009 JURWFWWSGSPXDS-HNNXBMFYSA-N 338.433 1.016 0 40 EDAB Cc1c(C(=O)NCCn2ccnc2)nnn1-c1ccc(Cl)cc1 19557711 KAJYQUYRCHKTLS-UHFFFAOYSA-N 330.779 1.856 0 40 EDAB O=S(=O)(Cc1cccc(F)c1)N[C@@H]1CCN(c2nccs2)C1 206818068 CTMOJNUXPIBRHY-CYBMUJFWSA-N 341.433 1.981 0 40 EDAB O=C(NC[C@H](O)Cn1ccccc1=O)C1(c2cccs2)CCCC1 206889209 BULPIKMUMSLYAM-AWEZNQCLSA-N 346.452 1.899 0 40 EDAB O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CNc1ncncc1Br 527566250 SHKPZUOTJVQGDG-QXFUBDJGSA-N 339.197 1.324 0 40 EDAB NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 26421587 VMOCHUGLCVCGME-UHFFFAOYSA-N 341.394 1.251 0 40 EDAB Cc1noc([C@@H]2C[C@@H](F)CN2C(=O)Cn2nnc3ccccc32)n1 1888890723 PQSUWWHLOPXHBE-MFKMUULPSA-N 330.323 1.434 0 40 EDAB CN1C[C@H](CN2CCN(c3nsc4ccccc34)CC2)OCC1=O 1850014917 UUNQLXMVVWNKFQ-CYBMUJFWSA-N 346.456 1.276 0 40 EDAB O=C(CC1(O)CCC1)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 1614929086 CUWKFOSGGXIDAI-SFHVURJKSA-N 343.427 1.732 0 40 EDAB O=C(c1cccc(F)c1)N1C[C@@H]2OCCN(Cc3ccncc3)[C@@H]2C1 1565542299 IWMIZXAKEHCMTH-MSOLQXFVSA-N 341.386 1.946 0 40 EDAB Cc1nc(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)cs1 1565545562 IVZLHFBTBPVOLU-LBPRGKRZSA-N 343.416 1.212 0 40 EDAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)c4cc[nH]c4)C3)C2)cn1 1565549242 SLZRLVKBNVWUQJ-UHFFFAOYSA-N 327.388 1.173 0 40 EDAB O=C(Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1)N1CCCC1 4594244 XHFDGZILDDELSM-UHFFFAOYSA-N 325.294 1.981 0 40 EDAB CCc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3CCCO3)n2)cc1 5397693 QQZPYZVLTQYQRQ-INIZCTEOSA-N 341.411 1.768 0 40 EDAB O=C(C[C@@H]1CSc2nccc(=O)n21)Nc1ccc2c(c1)OCO2 12236261 NTHVCDCUUMZVPJ-SNVBAGLBSA-N 331.353 1.648 0 40 EDAB CCc1ccc(NC(=O)CSc2ncc(CO)n2CC(N)=O)cc1 22715017 VVBLKRWFTBNKGN-UHFFFAOYSA-N 348.428 1.154 0 40 EDAB COc1ncc(NC(=O)/C=C/c2ccccc2)c(N2CCOCC2)n1 206731242 WGUUMMBYHFDDKP-BQYQJAHWSA-N 340.383 1.974 0 40 EDAB COC(=O)Cn1/c(=N/C(=O)c2ccn(C)n2)sc2ccccc21 101337893 IOKLEWNJPPSKQE-NXVVXOECSA-N 330.369 1.350 0 40 EDAB COc1ccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 43979586 UXLAFBTUIOHJJY-UHFFFAOYSA-N 326.418 1.097 0 40 EDAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1cc[nH]n1 225794074 OGFPXJMSAOYWEY-UHFFFAOYSA-N 326.404 1.477 0 40 EDAB Cc1cc(-c2noc(CNC(=O)c3cccc4c3OCCO4)n2)no1 225813485 WDKFQHKATPZSOX-UHFFFAOYSA-N 342.311 1.734 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@H](C)N1CCOCC1 30683036 CWAFSZRQKHXILX-LBPRGKRZSA-N 329.400 1.496 0 40 EDAB COc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)ccc1OC(C)C 40497134 PKWMORGSSAHXBC-LBPRGKRZSA-N 341.429 1.647 0 40 EDAB Cc1cccc(C)c1N(CC(=O)NCc1ccccn1)S(C)(=O)=O 308914 UWPMMTVQVDAIMU-UHFFFAOYSA-N 347.440 1.781 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CC[C@H]1CCCO1 46321238 DYNQXPVPHJCEHL-TZMCWYRMSA-N 340.445 1.813 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)CN(C)c2ccc(Cl)cn2)CC1 70011708 MZRDUEBGEWFOKL-CQSZACIVSA-N 340.855 1.086 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795034 DQMXXDRHJPJWOK-DOTOQJQBSA-N 328.412 1.823 0 40 EDAB CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6305992 SSRCDQTZUSQBAQ-UHFFFAOYSA-N 340.445 1.626 0 40 EDAB Cc1ccc(NS(=O)(=O)c2c(C)nc3sccn3c2=O)nc1 6859809 MHFAHGVCAYOMSD-UHFFFAOYSA-N 336.398 1.569 0 40 EDAB Cc1cc2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2c(C)n1 32922600 PWZCSGHNSZGKSB-UHFFFAOYSA-N 336.421 1.458 0 40 EDAB O=C(CN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2)N1CCCC1 102707019 QXDMPEBCPUEROQ-QAETUUGQSA-N 332.444 1.829 0 40 EDAB CCN1CCN(CCC(=O)N2CCO[C@H](c3ccccc3C)C2)CC1 76087250 NQNMOQPREHVBEX-IBGZPJMESA-N 345.487 1.923 0 40 EDAB CCc1cc(=O)[nH]c(-c2cccc(N3C(=O)[C@@H](C)NC3=S)c2)n1 55179284 ZUOAHSWUXRCYIG-SECBINFHSA-N 328.397 1.609 0 40 EDAB Cc1nccn1-c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cn1 47385504 WRMSGPPUPVPBQC-UHFFFAOYSA-N 346.354 1.804 0 40 EDAB Cc1cc(CN2CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)no1 22799429 ISBOBOZFTHYVRE-RHSMWYFYSA-N 334.464 1.796 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NCC(C)C 107747478 URWQPHGMBRHWKC-LBPRGKRZSA-N 328.434 1.443 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)CCc3ccccn3)CCO2)n1 76045829 QOVVHHLRIHVTLH-CQSZACIVSA-N 329.404 1.685 0 40 EDAB COc1ccc(Nc2nc(C(=O)N[C@H]3CCCNC3=O)cs2)cc1 76019183 WRRCRPYMIBSTAD-LBPRGKRZSA-N 346.412 1.904 0 40 EDAB CC(=O)NCC1CCN(CC(=O)N2CCc3sccc3C2)CC1 47772526 PNCQRXBDILPBAI-UHFFFAOYSA-N 335.473 1.481 0 40 EDAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@H](C)Cc1ccsc1 110604185 DZYFCCLHMXDPTH-GRYCIOLGSA-N 330.475 1.896 0 40 EDAB CCOC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2F)CC1 34800921 CZEFEAKKSQZUSJ-UHFFFAOYSA-N 327.331 1.677 0 40 EDAB CC(=O)N1CCN([C@H]2CN(CCOc3cccc(C)c3)C[C@H]2C)CC1 107058323 LBEGFVTYAQCVAX-XLIONFOSSA-N 345.487 1.858 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCOc1ccc2c(c1)CCC2 56009857 BVRCZHAVWNHEQK-GUYCJALGSA-N 330.428 1.833 0 40 EDAB C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)C(=O)N1CCOCC1 56156105 VEOAYGKTKIWJTP-SNVBAGLBSA-N 333.310 1.682 0 40 EDAB C[C@H](Sc1cc(C(N)=O)c2ccccc2n1)C(=O)N1CCOCC1 25911103 XHKYHTOWEDGXFJ-NSHDSACASA-N 345.424 1.673 0 40 EDAB O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccn1)C2)NCc1ccco1 100161991 IKVHPMLDZNFLQI-HUUCEWRRSA-N 341.411 1.805 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 78113868 RQTNOAZTTDXOGP-HIFRSBDPSA-N 349.479 1.983 0 40 EDAB O=C(Nc1nc[nH]n1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 26262863 RLYRWGDNTIMWHG-NSHDSACASA-N 333.779 1.949 0 40 EDAB Cc1cc([C@@H](C)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(C)o1 58278073 JHQQYKQQTHVHHR-LLVKDONJSA-N 349.412 1.571 0 40 EDAB Cn1c(=O)n(CCC(=O)N2CCO[C@H]3CCCC[C@H]32)c2ccccc21 44969895 ZDTBUWWDLXKMLH-SJORKVTESA-N 343.427 1.900 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCCCCN3CCC[C@H](C)C3)nc2n1 44952499 LXGJSBANACFXRH-ZDUSSCGKSA-N 344.463 1.983 0 40 EDAB C[C@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C[C@@H](C)O1 44979775 WURJUMJKFCDSBC-KBRXKUPHSA-N 341.477 1.348 0 40 EDAB O=C(CNS(=O)(=O)c1cc(F)cc(F)c1)NC1CCCCC1 58325425 XVBOSGOQBKTOJC-UHFFFAOYSA-N 332.372 1.692 0 40 EDAB COc1ccc(CCC(=O)N2CCCN(CCC(N)=O)CC2)cc1 58378008 OFWVXEZMMTWRKP-UHFFFAOYSA-N 333.432 1.038 0 40 EDAB C/C=C/CN1CCCn2c1nc1c2c(=O)n(C/C=C/C)c(=O)n1C 36369945 GQRPZQWNLVNUKJ-YDFGWWAZSA-N 329.404 1.259 0 40 EDAB biogenic COc1ccc(-c2nc(COC(=O)C3=NN(C)C(=O)CC3)no2)cc1 58644514 JYHNYEKEJUDZHB-UHFFFAOYSA-N 344.327 1.397 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCC[C@@H](CO)C2)cc1 12781107 TTZGLDREQVDUHV-HZPDHXFCSA-N 347.459 1.485 0 40 EDAB CNC(=O)NC(=O)COc1ccc(C(=O)OC)cc1Br 12728194 QIBVMTPHDNZZOE-UHFFFAOYSA-N 345.149 1.070 0 40 EDAB COc1ccc(CN(C)c2nc3c(cnn3C)c(=O)[nH]2)c(OC)c1 69350735 DXHCDSAPTNWKFH-UHFFFAOYSA-N 329.360 1.310 0 40 EDAB Cc1cc(C)c2cc(CNCCCN3CCOCC3)c(=O)[nH]c2c1 28641165 LOQRCCKYROIAPO-UHFFFAOYSA-N 329.444 1.957 0 40 EDAB CO[C@H](CNC(=O)NCc1nnc2n1CCCC2)c1ccccc1 45577044 JJTHORZWBAHMTR-CQSZACIVSA-N 329.404 1.801 0 40 EDAB CCOc1cc(C)c(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1C 11566101 UKDDZGUZZOKUIZ-UHFFFAOYSA-N 340.445 1.555 0 40 EDAB CC(C)c1nn(C)cc1CNCCCN1C(=O)NC2(CCCC2)C1=O 48684414 BYWAUFPCBACBMY-UHFFFAOYSA-N 347.463 1.888 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)[C@H](C)OC[C@H]2CCCCO2)cc1 69420147 GFORHWRTIVEEFU-WMLDXEAASA-N 348.443 1.979 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 69977037 NZVGPMKQAZQPPR-NVXWUHKLSA-N 329.444 1.888 0 40 EDAB CCCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2ccccc21 4124930 DCWQMMXPTPPKDC-MRXNPFEDSA-N 346.412 1.598 0 40 EDAB NC(=O)[C@@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1 49625064 BOVHLVYCBUZKDB-HNNXBMFYSA-N 339.399 1.036 0 40 EDAB CCO[C@@H](C)C(=O)Nc1n[nH]cc1C(=O)NCc1ccc(OC)cc1 69951685 DGTZBZFLMZCMFH-NSHDSACASA-N 346.387 1.712 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3ccc(F)cc3)C2=O)C1 5068811 KKPLHCVXCHAZJZ-HNNXBMFYSA-N 348.290 1.134 0 40 EDAB CCOc1ccc(OCC(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 5287568 PBCZIWRQGGNRDW-HNNXBMFYSA-N 337.372 1.303 0 40 EDAB Cc1nc(CN2CCN(C(=O)NC[C@@H](C)N(C)C)CC2)cs1 65440767 HEPCIOPUKZGQRE-GFCCVEGCSA-N 325.482 1.229 0 40 EDAB Cc1csc(=O)n1CCN1CCN(C(=O)N2CCCCC2)CC1 65434634 KFZKBQLCJFBHBI-UHFFFAOYSA-N 338.477 1.442 0 40 EDAB C[C@@H](CNC(=O)NCCOc1ccc2c(c1)OCO2)N1CCCC1 65437506 ZBMJUTUNLSLNCZ-ZDUSSCGKSA-N 335.404 1.578 0 40 EDAB COC[C@@H](C)NC(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 69631446 DOOOEVFZBAECPV-OAHLLOKOSA-N 333.432 1.426 0 40 EDAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCS(=O)(=O)CC1 65538034 UYCSZZUFNDMNBP-UHFFFAOYSA-N 338.307 1.848 0 40 EDAB Cn1c(=O)c2[nH]c(NC34CC5CC(CC(C5)C3)C4)nc2n(C)c1=O 6423702 HZBVSRGBDYGLDZ-UHFFFAOYSA-N 329.404 1.341 0 40 EDAB CN(CC(=O)NCc1cccc(S(N)(=O)=O)c1)Cc1ccccc1 66044844 UPNPFKHTVTWYNZ-UHFFFAOYSA-N 347.440 1.082 0 40 EDAB CS(=O)(=O)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1 6670471 MOBHZGQOOXHJFE-UHFFFAOYSA-N 329.381 1.816 0 40 EDAB CC(C)CC(=O)N[C@@H](C(=O)NC[C@H](O)Cc1ccccc1)C(C)C 69810020 WXJHUEJWYXLMPH-SJLPKXTDSA-N 334.460 1.893 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cc3c(cc2Cl)OCO3)C1=O 4813725 VQTNGYFCKPDAAT-XNWCZRBMSA-N 338.703 1.134 0 40 EDAB CCCn1c(SCC(=O)NC(=O)NCc2ccccc2)n[nH]c1=O 6888199 VNSNEUOQQIPLJH-UHFFFAOYSA-N 349.416 1.100 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(OC)c1 7398195 FPRSPUQQAVRLJJ-KRWDZBQOSA-N 347.371 1.363 0 40 EDAB Cc1nnc(-c2ccc(NC(=O)c3nccnc3C(=O)O)cc2)o1 71285769 HRTPFHVTSMGDMD-UHFFFAOYSA-N 325.284 1.786 0 40 EDAB Cn1nccc1CNC(=O)NCCCC(=O)N1Cc2ccccc2C1 72277813 BACJFPFXGTVRHJ-UHFFFAOYSA-N 341.415 1.542 0 40 EDAB O=C1NC(=O)[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3)C2)N1 72290684 BLNXSKYUBHRQRG-BFQNTYOBSA-N 333.775 1.254 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1noc(C2CC2)n1 72299494 JDAWNBZPABACMD-MNOVXSKESA-N 325.390 1.045 0 40 EDAB COc1c([C@H]2CCCN2CCC(=O)N2CCOCC2)c(C)nn1C 72253764 CGUHAFCYLKHZBG-CQSZACIVSA-N 336.436 1.123 0 40 EDAB Cc1nc2c3ccccc3nc(N3CCN([C@H](C)CO)CC3)n2n1 72280828 ANTXZACPXIHADY-GFCCVEGCSA-N 326.404 1.089 0 40 EDAB CC(=O)N(c1nc(CN(C)[C@@H](C)C[S@](C)=O)cs1)C1CC1 96012888 SYLYNJBTFJZBOS-CHNSCGDPSA-N 329.491 1.857 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCC(=O)N1Cc1ccco1 72239657 BEKRQZWTWNOYCS-CQSZACIVSA-N 342.351 1.816 0 40 EDAB CC(C)c1nc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)no1 72232197 PHLCGBQQSQWLFX-QWHCGFSZSA-N 346.431 1.910 0 40 EDAB CCCCn1c(N)c(N(CC)Cc2c(C)noc2C)c(=O)[nH]c1=O 9377334 GHKLEDAGORPJAK-UHFFFAOYSA-N 335.408 1.550 0 40 EDAB Cc1nc([C@H]2CCCN2CCn2cnc3ccccc3c2=O)no1 84281011 WRWLASNXTUXKCA-OAHLLOKOSA-N 325.372 1.925 0 40 EDAB COC(=O)N1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 78748141 UQCRITOVAAVQIN-CYBMUJFWSA-N 343.221 1.867 0 40 EDAB Fc1ccccc1OCCN1CCO[C@@H](CNc2cccnn2)C1 78893664 SWBYGJNQFUBIPY-AWEZNQCLSA-N 332.379 1.807 0 40 EDAB COc1cccc(N2CCC(NC(=O)c3ccc(=O)[nH]c3)CC2)c1 71840011 GCRWIGZVEBQFRM-UHFFFAOYSA-N 327.384 1.782 0 40 EDAB C[C@H](CNC(=O)CCn1ccc2ccccc21)N1CCN(C)CC1 71867400 XEZFQMKNVVAMEO-MRXNPFEDSA-N 328.460 1.784 0 40 EDAB Cc1ccc2nc(CN3CCCC[C@H]3Cn3cncn3)cc(=O)n2c1 71876153 JWMOSNVKEFGOAL-INIZCTEOSA-N 338.415 1.649 0 40 EDAB O=C(Cc1ccccc1Br)NCC(=O)Nc1cn[nH]c1 71847475 AVIMAPHQOBNUTJ-UHFFFAOYSA-N 337.177 1.470 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CCC[C@H](N2CCNC2=O)C1 71841768 QEVDAFDCVOPKSF-HNNXBMFYSA-N 331.416 1.562 0 40 EDAB C[C@@H]1CN(C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)CCO1 71821656 CYSFJAMULNUGEJ-CYBMUJFWSA-N 328.416 1.888 0 40 EDAB NC(=O)CCn1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)n1 71910629 WEFHXPZKFUZOLE-UHFFFAOYSA-N 348.370 1.607 0 40 EDAB Cc1ccsc1CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 71909457 LZUOILNUMVDCSW-UHFFFAOYSA-N 336.438 1.821 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3c[nH]c(C(C)C)n3)CCO2)n1 78894314 BBVCTWZLLNFWON-GFCCVEGCSA-N 332.408 1.817 0 40 EDAB O=C(c1ccc(O)cc1)N1CCN(CCOCC(F)(F)F)CC1 84387916 XZSHQHQEOYHSCP-UHFFFAOYSA-N 332.322 1.729 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cccc4cn[nH]c34)CCO2)n1 78890194 DWQIDHFPRYULMW-CYBMUJFWSA-N 340.387 1.847 0 40 EDAB Cc1n[nH]c([C@H]2CN(C[C@H](O)COCc3cccs3)CCO2)n1 78894380 MLEREEKTUJQTEG-GXTWGEPZSA-N 338.433 1.126 0 40 EDAB CC(=O)c1cc2c(cc1NC(=O)c1c(C(=O)O)cnn1C)OCO2 20614777 NETGRIJCAUQQRP-UHFFFAOYSA-N 331.284 1.302 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1c(C)c(C)cc(C)c1C 84075031 AELXLOYPQFCVFV-KBPBESRZSA-N 341.429 1.217 0 40 EDAB O=C(NCCO)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 95351655 UACZZUCFSDGTIK-UHFFFAOYSA-N 338.360 1.349 0 40 EDAB Cc1cc([C@](C)(O)CNC(=O)CNC(=O)c2cccs2)c(C)o1 78939910 HJUSJNADZABNCR-MRXNPFEDSA-N 336.413 1.712 0 40 EDAB C[C@@H](NC(=O)COC[C@@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2 84651731 OBMIZAMFXADNKC-DOMZBBRYSA-N 332.400 1.944 0 40 EDAB CS[C@H]1CC[C@H](N(C)C(=O)CN2CCN(c3ccccn3)CC2)C1 78966648 CRSSXCLDFGJUDY-HOTGVXAUSA-N 348.516 1.946 0 40 EDAB CN(C(=O)CCn1cc(S(N)(=O)=O)cn1)C1CCCCCC1 78978522 IHZACPPULDZEQC-UHFFFAOYSA-N 328.438 1.102 0 40 EDAB O=C(NC1CCC(N2C(=O)CCC2=O)CC1)[C@H]1CC1(Cl)Cl 95440332 YAWIDKWXGFINOW-UDNWOFFPSA-N 333.215 1.757 0 40 EDAB CCC(CC)c1cc(NC(=O)Cn2nc3ccccn3c2=O)[nH]n1 95996022 YAZKNFREYYUQBM-UHFFFAOYSA-N 328.376 1.761 0 40 EDAB CN1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@H]1c1ccc(F)c(F)c1 95978421 KEWXSEZSHLEGBB-DOTOQJQBSA-N 347.365 1.839 0 40 EDAB CN(C)S(=O)(=O)CCCN1CCC[C@@H](c2noc(C3CC3)n2)C1 89319475 VDJDBYAMBBGKFN-CYBMUJFWSA-N 342.465 1.408 0 40 EDAB Cc1c([C@H](C)NC(=O)[C@H]2CNC(=O)N2)cnn1-c1ccc(F)cc1 89544914 KMOZKIIXRSDZBD-LKFCYVNXSA-N 331.351 1.178 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)no1 89600948 WTSJYNOZXOYUBJ-IRXDYDNUSA-N 327.384 1.708 0 40 EDAB CN(Cc1nccn1C)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 89761415 CMWABCKNZSLBAU-QGZVFWFLSA-N 342.443 1.670 0 40 EDAB CS(=O)(=O)N(CC(N)=O)c1ccc(Br)cc1Cl 75373169 PDHUPTSCIROYFL-UHFFFAOYSA-N 341.614 1.354 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cc2c([nH]c1=O)CCC2 89884833 APWIHANAGOKCIA-CYBMUJFWSA-N 339.399 1.052 0 40 EDAB COC[C@H](O)CNC(=O)N[C@H](C)Cc1ccccc1Br 89904203 DHGRRXYYJZWWLT-ZYHUDNBSSA-N 345.237 1.687 0 40 EDAB Cc1nc2c(c(C)c1CC(=O)N1CCCSCC1)c(=O)[nH]n2C 75583960 KVSVBJXIGGYEMU-UHFFFAOYSA-N 334.445 1.386 0 40 EDAB NC(=O)C[C@H]1CCCN(C(=O)Nc2c[nH]nc2-c2nccs2)C1 556032457 YGCFHGATHURCTA-SECBINFHSA-N 334.405 1.653 0 40 EDAB Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@H]2CCCC[C@H]2O1 43200569 DJKJVWJQAVGLHJ-WCQYABFASA-N 327.432 1.715 0 40 EDAB CN(C)c1nccc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)n1 552357853 VDKAKPXNEGCFMF-QGZVFWFLSA-N 339.443 1.476 0 40 EDAB O=C1CN(CC(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)C(=O)N1 409412891 ZXYWHPWJNFPNIM-UTJXIGIESA-N 327.384 1.237 0 40 EDAB COCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 36626129 IRXFSUCMLDEICV-QGZVFWFLSA-N 326.396 1.790 0 40 EDAB COCCN1C(=O)N[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC[C@H]21 529483587 JPCVZWYNMRBGKF-LJISPDSOSA-N 349.456 1.493 0 40 EDAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2F)cc1 74936862 GPKBBAAQFMNOIY-UHFFFAOYSA-N 343.401 1.708 0 40 EDAB CC1(c2[nH]ncc2C(N)=O)CCN(S(=O)(=O)c2ccccc2)CC1 72388934 KGXUWDUKTRHJRI-UHFFFAOYSA-N 348.428 1.251 0 40 EDAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(CCN2C(=O)CCC2=O)C1 78978625 ITPMTQYCUZGOID-CQSZACIVSA-N 348.378 1.171 0 40 EDAB O=C(c1nc2ccccc2s1)N1CCN(CCn2cccn2)CC1 62022017 KPSGVGPGONTROW-UHFFFAOYSA-N 341.440 1.951 0 40 EDAB Cc1cc(CCC(=O)O)nc([C@@H]2CCCN(c3cnccn3)C2)n1 72367030 BXINUOAPOYPHAB-CYBMUJFWSA-N 327.388 1.976 0 40 EDAB O=c1[nH]c2cc(S(=O)(=O)NCCCn3ccnc3)ccc2s1 30952706 ZSQROTHMXCLQJV-UHFFFAOYSA-N 338.414 1.155 0 40 EDAB Cc1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)n(C)n1 72237858 VCQKCFFZAOXBEU-HZPDHXFCSA-N 328.372 1.266 0 40 EDAB Cc1cc(C)n([C@H](C)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)n1 78987058 CVMDIUUMFCLGBQ-MNOVXSKESA-N 332.326 1.340 0 40 EDAB CN1CCN(c2cc(C(=O)N[C@@H]3COc4ccccc43)ccn2)CC1 78999452 PVVFTMCRHAYLBF-MRXNPFEDSA-N 338.411 1.697 0 40 EDAB Cc1cccn2cc(CC(=O)NC[C@@H](CO)Cc3cccnc3)nc12 567137176 UECOZUCFULSPKW-INIZCTEOSA-N 338.411 1.548 0 40 EDAB CC[C@@]1(C)CN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CCO1 190603372 FMZZRBOYQFZJCD-PBHICJAKSA-N 335.452 1.599 0 40 EDAB COc1cncc(O[C@@H]2CCN(C(=O)NCCc3ccccc3)C2)n1 225395955 YSVIZMPHISSUAN-OAHLLOKOSA-N 342.399 1.891 0 40 EDAB CC(C)CN1CCC[C@H]1CNC(=O)c1cc(N2CCOCC2)ccn1 133037044 PYQIFQPEVPVNSP-KRWDZBQOSA-N 346.475 1.768 0 40 EDAB COC(=O)C1CCN(S(=O)(=O)c2c(C)cc(OC)cc2C)CC1 47462030 YVVUHNGJGRSMIQ-UHFFFAOYSA-N 341.429 1.886 0 40 EDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(=O)O)ccc1C 49546248 SCWUKGANNVCACJ-ZDUSSCGKSA-N 333.388 1.232 0 40 EDAB CCCCNC(=O)[C@H]1CCCN(C(=O)Cn2ccc(C)cc2=O)C1 194506396 UGLGXNZKPXLCDR-HNNXBMFYSA-N 333.432 1.312 0 40 EDAB Cn1cc(CC(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)cn1 191692066 FJBFQEOLRZCDBT-UHFFFAOYSA-N 345.783 1.401 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(Cc2ccc(OC(F)F)c(F)c2)C1 93530802 BOSOEWASVKWCJJ-JTQLQIEISA-N 338.351 1.551 0 40 EDAB CN1[C@@H](COCC2CC2)CCC12CCN(C(=O)c1ccnn1C)CC2 96208208 QCYQMOZENLNINP-MRXNPFEDSA-N 346.475 1.916 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1CN(c2ncccn2)C[C@H]2OCC[C@H]21 96038906 SBNBXYZXXYIMJH-ARFHVFGLSA-N 339.399 1.029 0 40 EDAB CCO[C@H]1C[C@H](N(C)C(=O)Cn2nc(C)ccc2=O)C12CCCC2 96419204 GLCJFRHGPURYNY-GJZGRUSLSA-N 333.432 1.748 0 40 EDAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1cccnc1)C2 96039768 ACFILNLZVNGTLO-MJGOQNOKSA-N 347.459 1.558 0 40 EDAB O=C(C1CCOCC1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96058170 RHWNINYIHULMKZ-VYDXJSESSA-N 332.400 1.645 0 40 EDAB CC1(C)CC(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc21 96183419 ZPPMAZNHEKKHOJ-LLVKDONJSA-N 338.429 1.764 0 40 EDAB C[S@](=O)c1cccc(NC(=O)CNC(=O)c2cccc(F)c2)c1 96449768 SFHMYWZNLMIDMP-HSZRJFAPSA-N 334.372 1.932 0 40 EDAB CN1CCN(Cc2nnc(C3CC3)n2C)C[C@@H]1c1nc(C2CC2)no1 580103444 BDUOWLHSYYSXEH-CYBMUJFWSA-N 343.435 1.442 0 40 EDAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NC(C)(C)CO 95475088 DXSCNPUNQJCABW-LBPRGKRZSA-N 326.466 1.514 0 40 EDAB O=S(=O)(C1CC1)N1Cc2nccn2C[C@H](COc2cccnc2)C1 96188050 AHAOHJHFCRBSPO-ZDUSSCGKSA-N 348.428 1.281 0 40 EDAB COc1ccc2nnc(CCCC(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)n2n1 95472800 WPMVWUMURKBMIQ-RDBSUJKOSA-N 341.415 1.784 0 40 EDAB Cn1cc(CN2CCC3(CC2)C[C@@H](OCC2CCOCC2)CO3)cn1 96106683 HUYSCPBDJXRIMC-GOSISDBHSA-N 349.475 1.987 0 40 EDAB CN1C(=O)CCc2cc(C(=O)Cn3nc4ccccn4c3=O)ccc21 95435598 RMFINKPBVLNXOY-UHFFFAOYSA-N 336.351 1.288 0 40 EDAB CN(C)CCN1C(=O)CCC12CCN(C(=O)c1cccnc1)CC2 96228045 LMXLSIHHNJIVLP-UHFFFAOYSA-N 330.432 1.240 0 40 EDAB O=C(CCCCCn1nnc2ccccc2c1=O)Nc1nc[nH]n1 95480037 GWFANKOVFXDNIV-UHFFFAOYSA-N 327.348 1.109 0 40 EDAB Cc1nnc(-c2ccc(C(=O)NC[C@@H](C)N3CCOC[C@H]3C)cc2)[nH]1 245339067 QGTHMQDGGSWMHI-CHWSQXEVSA-N 343.431 1.619 0 40 EDAB CCn1ccnc1[C@@H]1OCC[C@H]1NC(=O)N1CCc2ncsc2C1 346637521 RDOHIMYCCXXSBU-TZMCWYRMSA-N 347.444 1.957 0 40 EDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCNC[C@H]1c1ccccc1 257254439 KDBZWKKPZVUOSL-INIZCTEOSA-N 334.379 1.710 0 40 EDAB Cc1noc(C)c1CC(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257309413 UAVIJKWOFNPVNL-JFIYKMOQSA-N 330.384 1.921 0 40 EDAB CN(C(=O)CCCn1ccnc1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257271569 MYWOEQMMHUQIFL-JFIYKMOQSA-N 344.415 1.488 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)Cc2c(C)noc2C)n1 257221667 DQAZXZQBWOJAIB-AWEZNQCLSA-N 345.403 1.574 0 40 EDAB CN1C(=O)CO[C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)CC[C@@H]21 257331792 XUGVFDNXLOMXRM-HOTGVXAUSA-N 327.384 1.630 0 40 EDAB CCOc1ccccc1-n1nc(C(=O)O)c(N2CCN(CC)CC2)n1 256048686 VMVCONWOYWNUNM-UHFFFAOYSA-N 345.403 1.506 0 40 EDAB Cc1ccn(CCC(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)n1 257280247 OKBDKUGJTJOADD-SFHVURJKSA-N 343.431 1.124 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)COc2cccnc2)n1 257337591 YTKTZZNMMHGZPU-AWEZNQCLSA-N 343.387 1.201 0 40 EDAB Cc1cc(CNC(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)no1 585121885 DWXJFRDTVPKHKX-JSGCOSHPSA-N 344.289 1.410 0 40 EDAB Cc1nc(Cl)cc(N2CCN(C[C@H]3CCCS3(=O)=O)CC2)n1 585132608 FNQAGJVENXXLEP-GFCCVEGCSA-N 344.868 1.138 0 40 EDAB COCCOc1cccc(CNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1 252503225 UZSLTRNWNDIIEE-TVNOUSRMSA-N 346.427 1.623 0 40 EDAB Cc1n[nH]cc1-c1cnc(CC2CCN(S(C)(=O)=O)CC2)cn1 257272657 NDIHITLJGYOLNX-UHFFFAOYSA-N 335.433 1.389 0 40 EDAB Cn1nc(N)c2ccc([C@@H]3CCCN(C(=O)C4CCOCC4)C3)nc21 257225445 FGFSWZWTXMFSPT-CYBMUJFWSA-N 343.431 1.683 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)O)CC1 262868647 WGFIQEZLTGFUID-GUYCJALGSA-N 339.436 1.530 0 40 EDAB CCS(=O)(=O)c1ccccc1CCNC(=O)[C@]12CC[C@H]1CNC2 1615544392 BDPVWUDTZFFDKZ-YOEHRIQHSA-N 336.457 1.139 0 40 EDAB COc1ccc(CNC(=O)N2CC[C@H](Oc3ncc(F)cn3)C2)cc1 390827709 JICZQTQOWCCPBB-HNNXBMFYSA-N 346.362 1.987 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@]2(OC)CCSC2)cc1 96097708 KFBOPJMFCDOEMU-AWEZNQCLSA-N 345.442 1.274 0 40 EDAB COc1cc(S(=O)(=O)NC[C@@H]2C(C)(C)C2(F)F)ccc1C(=O)O 663424709 CKEKKICJUOTIKK-LLVKDONJSA-N 349.355 1.963 0 40 EDAB O=C([C@H]1[C@H]2COC[C@H]21)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 585108813 NRLNEYQMSJEVOW-ONTMVUMWSA-N 344.411 1.249 0 40 EDAB O=C(c1cccnn1)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 585276111 LYXDQADJFQBISV-KRWDZBQOSA-N 331.347 1.062 0 40 EDAB O=C(CCCn1cccn1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585270875 CESBFKCOZAJPLP-SFHVURJKSA-N 347.390 1.845 0 40 EDAB Cc1ccccc1OC[C@@]1(O)COCCN(Cc2cncnc2)C1 585277322 UMRIOGXMGAPEGF-SFHVURJKSA-N 329.400 1.427 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC[C@](O)(C(F)(F)F)C1 69973634 ISCGXIVQRRHQBL-ZWNOBZJWSA-N 339.358 1.246 0 40 EDAB Cn1nccc1CNCC1CCN(S(=O)(=O)c2ccccc2)CC1 80199365 WJOCZADBLMLSFM-UHFFFAOYSA-N 348.472 1.611 0 40 EDAB COc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2)cc1OC 170264524 BQADIQWGFBNLOM-AWEZNQCLSA-N 337.397 1.716 0 40 EDAB Cc1ccccc1Cn1cc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cn1 13960284 LUIZAZJQLVUIBW-YVSFHVDLSA-N 337.379 1.907 0 40 EDAB CN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)N1CCCCCC1 14850603 VAKAGAVLYYMCNS-UHFFFAOYSA-N 343.424 1.817 0 40 EDAB C[C@H](C(=O)NCc1cc(=O)[nH]c(N2CCCC2)n1)c1ccccc1 19459435 IKSFFOCIDNWHSR-ZDUSSCGKSA-N 326.400 1.790 0 40 EDAB O=C(Cn1nnc2ccccc21)N1CC(C(=O)N2CCCCCC2)C1 19748679 ARZXYPNSQJIENG-UHFFFAOYSA-N 341.415 1.292 0 40 EDAB Nc1ccnc(CNC(=O)Cc2cc(Br)ccc2F)n1 158380651 OOJXFYISTZKKJR-UHFFFAOYSA-N 339.168 1.819 0 40 EDAB Cn1cccc(C(=O)NCC2CCN([C@@H]3CCSC3)CC2)c1=O 225567720 RSQQKCSYKFORKZ-CQSZACIVSA-N 335.473 1.333 0 40 EDAB O=C1NCCN1C(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225735791 SAJPRUQZKNRSLS-SNVBAGLBSA-N 344.293 1.699 0 40 EDAB NC(=O)c1ccc(NC(=O)COc2ncnc3sccc23)cc1 3599050 HWKAWSGQIQXXDC-UHFFFAOYSA-N 328.353 1.808 0 40 EDAB Cc1cc(NC(=O)CN2C[C@@H](C(=O)N(C)C)Oc3ccccc32)on1 21322122 YLJWHZXUDMVICP-AWEZNQCLSA-N 344.371 1.277 0 40 EDAB COc1cccc(OC)c1C(=O)NCC1(N2CCOCC2)CCC1 1776009172 XEQHLWWWTXTOIF-UHFFFAOYSA-N 334.416 1.689 0 40 EDAB O[C@@H]1CCCC[C@@H]1N1CCN(c2ccc(-n3cccn3)nn2)CC1 2087122239 ZMCOKDPXAYYBFC-LSDHHAIUSA-N 328.420 1.088 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCN([C@@H]2CCOC2)CC1 1565523711 UNQQMSXKEJJFGX-LLCTXKFZSA-N 344.411 1.752 0 40 EDAB COc1cncc(O[C@@H]2CCN(C(=O)COc3cccc(C)c3)C2)n1 225393165 XEWXXTHRUWRNOT-OAHLLOKOSA-N 343.383 1.852 0 40 EDAB CC(C)n1cc(C(=O)NCCCn2ccnc2)c2n[nH]c(=O)c-2c1 44213592 ZCKPOJMWLKDKLQ-UHFFFAOYSA-N 328.376 1.274 0 40 EDAB O=C(CCc1ccccc1)N[C@H]1CCN(c2nccn3cnnc23)C1 575614928 AOUBMRFAVMILBV-HNNXBMFYSA-N 336.399 1.452 0 40 EDAB O=S(=O)(NCC[C@@H](O)c1ccoc1)c1ccc2c(c1)OCCO2 90613137 NERYYJHIGPSBSD-CYBMUJFWSA-N 339.369 1.453 0 40 EDAB COc1ncnc2c1CN(C[C@H](O)COCc1ccccc1F)CC2 97200468 AKRDTDHQSDFTGJ-AWEZNQCLSA-N 347.390 1.560 0 40 EDAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NCc1ccco1 35876590 FMSVNJWEDDJFCV-MLGOLLRUSA-N 327.384 1.115 0 40 EDAB CCn1c(=O)n(CC(=O)N2CCO[C@H]3CCCC[C@H]32)c2ccccc21 40145757 UQVJLCQVFYXXCJ-SJORKVTESA-N 343.427 1.993 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCOc2cccc(F)c2)C[C@@H](C)O1 40105078 HAAHNYCMPIZZHJ-TXEJJXNPSA-N 332.397 1.148 0 40 EDAB CC[C@H](C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)O 93981 IGRPGLBXMJHLPT-OIBJUYFYSA-N 329.403 1.469 0 40 EDAB CC(C)OCCn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 40497979 MSADTCPBOZTTEX-UHFFFAOYSA-N 331.294 1.539 0 40 EDAB CC(=O)OCCc1c(C)[nH]c2nc(-c3ccc(C)cc3)nn2c1=O 100650730 GTUWZOZFZHDVOU-UHFFFAOYSA-N 326.356 1.807 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)CN2CCOCC2)c1C 40535739 FEZTWQJQUISSRE-LLVKDONJSA-N 337.420 1.259 0 40 EDAB CSCC[C@@H]1NC(=O)N(c2ccc(CN3CCOCC3)cc2)C1=O 20566572 BIJQBPLOIFBTGB-HNNXBMFYSA-N 349.456 1.697 0 40 EDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1 20762478 SPHGVNULXYANSD-INIZCTEOSA-N 344.371 1.248 0 40 EDAB biogenic Cc1cc(S(N)(=O)=O)cc(NC(=O)COC(=O)C2CCC2)c1C 32550517 PMEOJTDHUMCMQK-UHFFFAOYSA-N 340.401 1.233 0 40 EDAB Cc1n[nH]c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 11701145 KKFNIZTVIQVSCS-UHFFFAOYSA-N 335.408 1.693 0 40 EDAB CC[C@H]1c2ccsc2CCN1CC(=O)N[C@@H]1CCCCNC1=O 46054768 MLGUYFCLXUZHLU-KGLIPLIRSA-N 335.473 1.842 0 40 EDAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)NC(N)=O 2629143 NWQWRWXGYNBUAR-MRVPVSSYSA-N 337.430 1.826 0 40 EDAB NC(=O)c1cc(OCc2ccccc2)nc2nc(Cl)nc(N)c12 1560458 GSDJPCXBMASVGN-UHFFFAOYSA-N 329.747 1.938 0 40 EDAB O=C(Nc1ccc2n(c1=O)C[C@@H]1CNC[C@H]2C1)c1ccc(F)cc1 4236308 MBOHPRSVJMWMKE-WCQYABFASA-N 327.359 1.946 0 40 EDAB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)Nc2nc(N)nc(O)c2[C@@H]1c1ccccc1 4945503 VIFQPTFOAGUUAQ-ONGXEEELSA-N 328.328 1.028 0 40 EDAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)[nH]1 102723217 XLBWUXWSJHVPIL-BETUJISGSA-N 346.383 1.533 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)Cn2c(=O)n(C)c3ccccc32)cn1 69625775 YVNUMDIPYGEMPB-AWEZNQCLSA-N 339.399 1.437 0 40 EDAB Cc1cc(=O)c(C(=O)NC[C@H]2CCOC2)nn1-c1ccccc1Cl 41373282 AYEAROJOCNQZRF-GFCCVEGCSA-N 347.802 1.961 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccn2)n2nc(C)nc2N1 10157081 MVWSZOXMVQDGMZ-HNNXBMFYSA-N 340.387 1.129 0 40 EDAB CN(CC(N)=O)C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 46980168 GCAIYAWMTCGOJN-JTQLQIEISA-N 344.337 1.261 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N(C)C[C@H]1COc2ccccc2O1 47027694 NTHDVRPCFOUHHG-KGLIPLIRSA-N 330.388 1.753 0 40 EDAB COc1ccccc1N1CCN(c2nc(-c3nonc3N)no2)CC1 12371767 ZKQBYOVFVHKLFM-UHFFFAOYSA-N 343.347 1.037 0 40 EDAB Cc1ccc(CN2CCCN(C(=O)[C@H](C)n3cncn3)CC2)cc1 42358392 MHRNWLRUZPVVSE-INIZCTEOSA-N 327.432 1.882 0 40 EDAB Cc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1S(N)(=O)=O 9501980 UDQFBILIXLEMPQ-UHFFFAOYSA-N 347.440 1.713 0 40 EDAB CC(C)[C@H](C(=O)NCc1ccc(N(C)C)nc1)N1C[C@H](C)O[C@H](C)C1 106153818 YKBPURASNFLMAS-RVKKMQEKSA-N 348.491 1.898 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1cccnc1OCC(F)(F)F 24861188 JPMHGZJTXMIEBY-UHFFFAOYSA-N 341.293 1.490 0 40 EDAB c1cnc(N2CCOCC2)c(CNCc2cccc3c2OCO3)c1 47701811 NRWSIJANEJQRLL-UHFFFAOYSA-N 327.384 1.937 0 40 EDAB COc1c(CNC[C@]2(N3CCOCC3)CCSC2)c(C)nn1C 58300222 ZLNXRAPKSANEJN-MRXNPFEDSA-N 340.493 1.035 0 40 EDAB Cc1ccc(-c2noc(CN3CCN(C[C@@H](C)O)[C@@H](C)C3)n2)cc1 106867966 YSCDUKOCBLQNTI-LSDHHAIUSA-N 330.432 1.932 0 40 EDAB COc1cccc2c1[C@H]1CO[C@@H]3[C@H]4C[C@H](C(=O)O)[C@H]([C@H](C2)N13)N4C 100659909 VOUMVHRRAVBACH-LOHNFIHCSA-N 330.384 1.106 0 40 EDAB CCc1nnc(CN2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)o1 107141997 UOQOCRWLULVYNP-HIFRSBDPSA-N 335.452 1.007 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NCCNc1ncccc1C(F)(F)F 56991893 WZXVDPNXDMMOJD-LBPRGKRZSA-N 344.337 1.639 0 40 EDAB O=C1NC(=O)[C@@H](CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)N1 57071882 MURNZJWMQUSUHM-CMPLNLGQSA-N 342.355 1.132 0 40 EDAB COc1ccc(OC)c([C@@H](O)Cn2nc(-c3ccco3)oc2=O)c1 44264954 GOWQEWWGKIFQCN-LBPRGKRZSA-N 332.312 1.847 0 40 EDAB CCOC(=O)CN1CCC(C(=O)NCCc2ccccc2F)CC1 47936653 NZHXWULOGJHSHA-UHFFFAOYSA-N 336.407 1.760 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)C3=NN(C(C)C)C(=O)CC3)C2)no1 72271701 FOHRNBSUCBRCHB-LBPRGKRZSA-N 333.392 1.471 0 40 EDAB Cc1cc(NCC(=O)NCC(F)(F)F)nc(-c2ccncc2)n1 57827496 FBBDRAIFXVJDSN-UHFFFAOYSA-N 325.294 1.937 0 40 EDAB CCOC(=O)[C@H]1CCCCN1C(=O)Cn1nnc(-c2ccccc2)n1 57915132 SLFVAMWESGIIMA-CQSZACIVSA-N 343.387 1.284 0 40 EDAB O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1CCSc2c(F)cccc21 57939884 WTOUUUAOFZHXKV-MNOVXSKESA-N 337.376 1.467 0 40 EDAB CC(C)C[C@H](C(=O)N1CC[S@@](=O)[C@H](C)[C@@H]1C)N1CCCCC1=O 110676293 LCTJCNUZOALPNV-UMPGKWJCSA-N 342.505 1.782 0 40 EDAB CC(=O)Nc1cccc(OCCNC(=O)NCc2ccncc2)c1 72271801 IFGFPVXFLWCRBV-UHFFFAOYSA-N 328.372 1.918 0 40 EDAB CC(C)Cn1c(S[C@H]2CCOC2=O)nnc1N1CCOCC1 58158872 OHZDFBTYBIALDT-NSHDSACASA-N 326.422 1.178 0 40 EDAB CCOC(Cn1cc(C(=O)Nc2cc(C3CC3)n[nH]2)nn1)OCC 58230191 JFDWLZRPKJUQDH-UHFFFAOYSA-N 334.380 1.530 0 40 EDAB COc1ccc([C@@H](NC(=O)NC[C@@H]2CCCO2)c2nccn2C)cc1 44945724 HPDMAVDTXBZAHX-JKSUJKDBSA-N 344.415 1.996 0 40 EDAB CC(C)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N(C)C 44943842 DESZMRGFHMZQCR-AWEZNQCLSA-N 340.445 1.323 0 40 EDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCSCC1 44955015 ZKZWTIGICGLUAY-CQSZACIVSA-N 335.408 1.480 0 40 EDAB COCC(=O)N1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 44950703 KLKAGNNJPDQYKE-UHFFFAOYSA-N 333.363 1.771 0 40 EDAB Cc1ccn2cc(CNS(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)nc2c1 58420938 CMNZBHKXMAHSSX-OKILXGFUSA-N 336.461 1.955 0 40 EDAB COc1ccccc1CS(=O)(=O)CCC(=O)Nc1cc(C)on1 58612655 JAKQJSMENATWHQ-UHFFFAOYSA-N 338.385 1.935 0 40 EDAB CC(=O)O[C@H]1[C@H](OC(C)=O)C=CO[C@@H]1COC(=O)c1ccccc1 36452641 VIPPCINCFXHHBN-OAGGEKHMSA-N 334.324 1.619 0 40 EDAB Cc1cc(OCC(=O)NN2CC(=O)NC2=O)c(C(C)C)cc1Cl 29018201 GFXHZNIVUNMAPY-UHFFFAOYSA-N 339.779 1.734 0 40 EDAB NC(=O)[C@@H]1CC(C(=O)NCCc2cccs2)=NN1c1ccccc1 29203547 IBQHVBKOSSTMIM-HNNXBMFYSA-N 342.424 1.527 0 40 EDAB COc1cccc(CNC(=O)CN(C)c2ncnc3[nH]cnc23)c1 45978072 AJNIHSOWQCBWOC-UHFFFAOYSA-N 326.360 1.114 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1CCOCCOc1ccccc1 48324967 RGXWFJDUURSXER-INIZCTEOSA-N 336.413 1.510 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(Cn2cncn2)c1 62405217 XTHDYPOKQNLGNF-CHWSQXEVSA-N 344.419 1.751 0 40 EDAB O=C(COC(=O)c1cccc(I)c1)NC1CC1 3436045 DDOYKKBTWPHGGV-UHFFFAOYSA-N 345.136 1.727 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cn(-c3ccccc3Cl)nn2)CC1 69875141 PNUCUEKBCGOWRA-GFCCVEGCSA-N 349.822 1.059 0 40 EDAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(C[C@H](C)O)CC1 69871437 VAPUREDIAYTVKV-LBPRGKRZSA-N 346.456 1.652 0 40 EDAB COc1ccc(OC[C@H](O)Cn2c(=O)n(C)c3ccccc32)cc1 12913028 NTHNQZQFYKFKQQ-CYBMUJFWSA-N 328.368 1.789 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)C[C@H]1N1CCOCC1 76053420 IPUFKTDUBSNTFH-CPUCHLNUSA-N 332.400 1.006 0 40 EDAB CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1nc(C)c(C)[nH]c1=O 92496328 UODFLZFXKDZDJF-OAHLLOKOSA-N 329.400 1.891 0 40 EDAB O=C(Cn1nnc(-c2cccs2)n1)NC(=O)NCc1cccs1 8877534 BFOBLDLLGSQMIP-UHFFFAOYSA-N 348.413 1.489 0 40 EDAB COC(=O)CNC(=O)c1ccc(NC(=O)COc2ccccc2)cc1 8881379 YLVNVQSHMVNNRR-UHFFFAOYSA-N 342.351 1.607 0 40 EDAB COCCOCCCNC(=O)C(C)(C)n1cc(Br)cn1 65550448 OOEYQQFEBSQBTC-UHFFFAOYSA-N 348.241 1.550 0 40 EDAB O=C(NCc1cccnc1)c1cccc(N2CCCCS2(=O)=O)c1 5381164 NLLGTXUQOOLJRH-UHFFFAOYSA-N 345.424 1.942 0 40 EDAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)[C@@H]1CCCO1 65635644 UXLMUQFRKZNMKM-CFVMTHIKSA-N 336.457 1.965 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Br)o2)C[C@H]1N1CCOCC1 76054455 BHBQLRAZWIXVOE-WDEREUQCSA-N 343.221 1.835 0 40 EDAB Nc1nccnc1C(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1 5506425 ZMTWADFDENCQGN-HNNXBMFYSA-N 340.383 1.969 0 40 EDAB O=C(NC1CC1)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 9046143 MWUBKJSHVQDKPU-KRWDZBQOSA-N 349.390 1.752 0 40 EDAB Cc1cccn2cc(CSc3n[nH]c(=O)n3C[C@@H]3CCCO3)nc12 8012900 NXLOUNKSCKJPBA-ZDUSSCGKSA-N 345.428 1.999 0 40 EDAB CN(C)c1cc(C(F)(F)F)nc(NCC2(C(N)=O)CCOCC2)n1 70040306 VQCREVCZMWXDTG-UHFFFAOYSA-N 347.341 1.255 0 40 EDAB CC(C)CNC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1 69348850 FKZNPCJTXCWANH-ZDUSSCGKSA-N 346.449 1.662 0 40 EDAB NC(=O)C1CCN(C(=O)CN2CCCC[C@@H]2Cc2ccccc2)CC1 69453423 JUBROIWJXREFQR-GOSISDBHSA-N 343.471 1.808 0 40 EDAB Cc1cc(CNC(=O)CCNS(C)(=O)=O)c2[nH]c(C)c(C)c2c1 69489982 PDSAOBIXDIKLTA-UHFFFAOYSA-N 337.445 1.649 0 40 EDAB COc1ccc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)c(OC)c1 9460089 MQFKIQWYXQSROR-UHFFFAOYSA-N 335.360 1.363 0 40 EDAB 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HKTVEJVSQKITNB-UHFFFAOYSA-N 326.809 1.822 0 40 EDAB CN1CCN(Cc2cnn(C)c2)C[C@@H](Cc2cn3ccnc3cn2)C1 2037838614 RIQATVUWYUAFNR-HNNXBMFYSA-N 339.447 1.069 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 1565555575 DFXRIZUIVAUMSA-IAGOWNOFSA-N 346.427 1.785 0 40 EDAB CCCc1cc(O)nc2nnc(SCC(=O)NCc3ccco3)n12 4250213 UTAHNWKDIQLSFN-UHFFFAOYSA-N 347.400 1.784 0 40 EDAB Cc1cc(C(=O)NCCn2nc(-c3cccs3)n(C)c2=O)c(C)o1 36708610 DRWAHODTMDHQFN-UHFFFAOYSA-N 346.412 1.950 0 40 EDAB Cc1csc(C(=O)Nc2ccc(-n3nnc(C(N)=O)n3)cc2)c1 70999448 MBPIFJBYXRDIHI-UHFFFAOYSA-N 328.357 1.383 0 40 EDAB O=C(CNc1ccc(-n2cnnn2)cc1)NCc1ccc(F)cc1 40461016 RDUNBICWEIOTCS-UHFFFAOYSA-N 326.335 1.530 0 40 EDAB CCNC(=O)CNC(=O)Nc1cccc(I)c1 40526166 NBKMZUOOIMRGTL-UHFFFAOYSA-N 347.156 1.549 0 40 EDAB O=C1CN(c2ccc(NC(=O)COCc3ccccc3)cn2)CCN1 40514198 KITQPMWZGXAFIA-UHFFFAOYSA-N 340.383 1.173 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](c1ccccc1)C1CCCC1 40555176 XIJKPCWHUAJEKS-KRWDZBQOSA-N 327.384 1.584 0 40 EDAB COc1cc(C(=O)N[C@H]2CCCCNC2=O)cc(Cl)c1OC 40521182 VDYGLCLYCPCTJB-NSHDSACASA-N 326.780 1.756 0 40 EDAB COc1cccc(CC(=O)N2CCNC(=O)C[C@@H]2C(F)(F)F)c1 40554184 LSZDXZJIFIBWNZ-GFCCVEGCSA-N 330.306 1.517 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1c[nH]c2cc(Cl)ccc2c1=O 20728928 VTRFKBXKYJKCSW-SECBINFHSA-N 340.788 1.098 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccn2)c1 387235 HMONNBOYMSDSBD-AWEZNQCLSA-N 347.440 1.682 0 40 EDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc21 32643052 RYJDUGVQAZXMOS-UHFFFAOYSA-N 349.387 1.495 0 40 EDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1cc(-c2ccccc2)no1 46112377 INGNDACPKJPQBS-LLVKDONJSA-N 334.397 1.924 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCCc1ccccn1)C(=O)C2 102234593 JOHNHEJDNJPWSH-SUMWQHHRSA-N 336.457 1.939 0 40 EDAB NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1ccc(-n2ccnc2)cc1 32907239 RQBMEXLOSVCVOH-SFHVURJKSA-N 347.378 1.606 0 40 EDAB CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCCOC)nn1 8298019 NPWAXSURFWQNOS-UAGQMJEPSA-N 349.479 1.094 0 40 EDAB biogenic,in-vitro CC(C)CN(C(=O)CCNC(=O)c1ccco1)C1CCN(C)CC1 53222687 WLUHITDXZTUSJN-UHFFFAOYSA-N 335.448 1.978 0 40 EDAB CC(=O)N[C@H](CC(=O)N[C@@H](C)CN1CCOCC1)c1cccs1 46884687 FXFOOJVNEJMGJO-GXTWGEPZSA-N 339.461 1.152 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(C(=O)O)cc1 104050659 RFPKWAJKRSWJOD-UOVKNHIHSA-N 340.335 1.130 0 40 EDAB NC(=O)[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1ccccc1 53944971 QNKUNTYBJYKTQV-KRWDZBQOSA-N 326.352 1.343 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 42367370 ICHLBNXCFUIKOW-QWHCGFSZSA-N 330.363 1.580 0 40 EDAB CCn1cnnc1CNC(=O)N1CCN(c2ccccc2OC)CC1 46964721 MQIIVICZJULBDP-UHFFFAOYSA-N 344.419 1.338 0 40 EDAB CSc1ccc(N2C[C@H](C(=O)NCCNC(C)=O)CC2=O)cc1 25342102 YPPPLVDKZNRTBK-GFCCVEGCSA-N 335.429 1.014 0 40 EDAB COCCN(Cc1ccco1)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102811335 YMZKXDBNAHAMRF-GJZGRUSLSA-N 346.383 1.206 0 40 EDAB CC1(C)CC(NC(=O)NCCN2CCCCCC2=O)CC(C)(C)N1 42909907 LBGRYMYLCRVJMQ-UHFFFAOYSA-N 338.496 1.997 0 40 EDAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC[C@@H]3CCCO3)c2C)n1 24538884 LTACNDONAOFHEC-HNNXBMFYSA-N 343.431 1.734 0 40 EDAB CC(=O)N[C@H](C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1)C(C)C 106097216 JWIQLZFRKYVEQV-AHIWAGSCSA-N 348.447 1.794 0 40 EDAB CC(C)NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 1330598 AQQVJIFLOYDFQO-UHFFFAOYSA-N 329.335 1.246 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1[C@@H]2CCCC[C@@H]12 100773552 GSNJVWUYLRHUCU-ZIAGYGMSSA-N 334.441 1.920 0 40 EDAB CCN1CC[C@@H](CNC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)C1 106567600 UGYOAOHMAQHSDH-OLZOCXBDSA-N 330.432 1.883 0 40 EDAB NS(=O)(=O)c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 55493560 UFHOWAJAWLGFSX-UHFFFAOYSA-N 347.421 1.788 0 40 EDAB CN(C)c1ncccc1CNC(=O)N[C@H]1CCN(C2CCCC2)C1 78604785 GWNZZYRONHYXNQ-HNNXBMFYSA-N 331.464 1.964 0 40 EDAB CNC(=O)C1(NC(=O)c2cccc(OCCOC)c2)CCCCC1 56099886 ODKYFLLCAMYXRA-UHFFFAOYSA-N 334.416 1.891 0 40 EDAB O=C(/C=C/c1ccco1)NCC(=O)Nc1ccc(-n2cccn2)nc1 56413696 NKWONPYZUMAJSF-FNORWQNLSA-N 337.339 1.628 0 40 EDAB Cc1cccc(OCCNC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1 25965321 FASPAQWVHPTSOC-OAHLLOKOSA-N 340.445 1.304 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(C)[C@H](C)CS(C)(=O)=O)o1 110586643 GGQCSAUXXBDNFF-WZRBSPASSA-N 328.434 1.978 0 40 EDAB O=C(CCN1CCN(c2cnccn2)CC1)N1CCc2ccccc21 26170969 MFEGMWQSULEUPB-UHFFFAOYSA-N 337.427 1.578 0 40 EDAB O=C(COc1ccc(CCNc2ncc(F)cn2)cc1)NC1CC1 97020382 UBHPURGAPIRLSN-UHFFFAOYSA-N 330.363 1.928 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)NC[C@@H]3CCCO3)CC2)cc1F 57419096 PCJDMTNXKHHOMO-HNNXBMFYSA-N 349.406 1.781 0 40 EDAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H](C)Cn1cncn1 108474684 ZNXUPLDEPPNTGW-UXLLHSPISA-N 342.447 1.486 0 40 EDAB O=C(OCCCOC(=O)c1ccc(O)cc1O)c1ccc(O)cc1O 12553044 UPBMEZVKYYEYRK-UHFFFAOYSA-N 348.307 1.913 0 40 EDAB CCCN(CCC)C(=O)NCCS(=O)(=O)N1CCSCC1 72271325 NMNJOKXYNBNPCK-UHFFFAOYSA-N 337.511 1.197 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)c(C)nn1C 72234361 SNCUSPYTAXLBIV-ZDUSSCGKSA-N 330.388 1.413 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)C1CCOCC1)CC2 108530734 QRCUMTZJCKEOFY-UHFFFAOYSA-N 338.448 1.291 0 40 EDAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(C)C)c1 58190737 BDCSTQYQQMNWIG-VOTSOKGWSA-N 329.374 1.140 0 40 EDAB CCCNC(=O)CSc1nnc(S[C@H](CC)C(N)=O)s1 58278572 NZFWCXFXKNWMFK-SSDOTTSWSA-N 334.492 1.512 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)NC[C@H]2CCCO2)c(C)c1 44948102 IIAYKWASIKXFTG-UONOGXRCSA-N 325.430 1.761 0 40 EDAB Cn1c(=O)n(CCC(=O)N2CCO[C@@H]3CCCC[C@H]32)c2ccccc21 44969898 ZDTBUWWDLXKMLH-IAGOWNOFSA-N 343.427 1.900 0 40 EDAB COc1ccc(OC)c(N2C[C@H](C(=O)N3CCOC[C@H]3C)CC2=O)c1 44912214 USSXDLXXAIOUNB-CHWSQXEVSA-N 348.399 1.304 0 40 EDAB C[C@@H]1CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)[C@H](C)CO1 58345439 GQARWNZAQLOJHH-CHWSQXEVSA-N 343.383 1.707 0 40 EDAB CCn1nc(C)c2c(C(=O)NCCCN3CCOCC3)cc(C)nc21 28239953 WTGJAJQHUTTXPZ-UHFFFAOYSA-N 345.447 1.520 0 40 EDAB COc1ccc(-c2noc(CN3CC[C@@H](C(N)=O)C3)n2)cc1OC 48037073 BKCMSDDUPDVYIG-LLVKDONJSA-N 332.360 1.061 0 40 EDAB O=c1oc(-c2cccs2)nn1CN1CCN(c2ccncc2)CC1 28785828 OARWUAUSMLGENE-UHFFFAOYSA-N 343.412 1.740 0 40 EDAB COc1ccc(CC(=O)NCc2ccc(N3CCOCC3)nc2)cc1 11115217 AUWKBJIOMLADAS-UHFFFAOYSA-N 341.411 1.786 0 40 EDAB O=C(c1cnc2n1C[C@H](Nc1ncccn1)CC2)N1CCCCC1 306138801 SHSYJYVPUIXRBW-CYBMUJFWSA-N 326.404 1.726 0 40 EDAB COC(=O)C1CCN([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 8471195 UFJYRAJUUNQDRD-CYBMUJFWSA-N 347.415 1.286 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCCC2)cc1 3361690 UTUCSXYEJCQTFY-ZDUSSCGKSA-N 340.445 1.765 0 40 EDAB Cc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)nc1 29437640 CKZGQBNCKJJQKG-CQSZACIVSA-N 341.346 1.588 0 40 EDAB C[C@H]1c2cccn2CCN1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 12873515 IQYLCZCBLFXMDV-ZDUSSCGKSA-N 347.440 1.907 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)no1 3472145 KGQITXINLWXPTA-UHFFFAOYSA-N 328.280 1.885 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2ccccc2)CC1 3486915 YGMWNVRUGPJJLJ-UHFFFAOYSA-N 337.379 1.943 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)CCc2ccc(Cl)s2)[nH]1 69567374 HWDNHRWTKMXVDD-UHFFFAOYSA-N 334.810 1.494 0 40 EDAB COc1cccc(NC(=O)[C@@H](C)OC(=O)C2CCN(C(N)=O)CC2)c1 12945829 JWGFWSIPVGPMPD-LLVKDONJSA-N 349.387 1.356 0 40 EDAB COC(=O)c1nc(-n2nc(O)ccc2=O)sc1-c1ccccc1 12951043 AWMNBMYBRHBNIO-UHFFFAOYSA-N 329.337 1.848 0 40 EDAB CCO[C@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(C)cn2)C1 69561815 KUKYZVFCPHQSCK-AWEZNQCLSA-N 334.420 1.929 0 40 EDAB CC(C)[C@H](C(=O)N(C)CC(=O)N(C)C)n1nnc(-c2ccccc2)n1 69950929 CSIKIJJOPROADI-OAHLLOKOSA-N 344.419 1.084 0 40 EDAB Cc1cccc(NC(=O)CN(C)C(=O)CCc2c(C)nn(C)c2C)n1 69656508 LRNTVVLYWRSIRE-UHFFFAOYSA-N 343.431 1.770 0 40 EDAB CC[C@H]1CN(C[C@H](O)CN2CCC(C)CC2)CCN1CCOC 69739231 HZTMICLIZCJDJM-ZWKOTPCHSA-N 327.513 1.122 0 40 EDAB COc1ccc(-c2ccc(C(=O)N3CCS(=O)(=O)CC3)o2)cc1 65374311 JXJHUDLVXCFYEN-UHFFFAOYSA-N 335.381 1.826 0 40 EDAB Cc1ccc(N2CCC[C@@H](N(C)CC(=O)Nc3nncs3)C2)nn1 69809295 HKDNUXMTPBYMQC-GFCCVEGCSA-N 347.448 1.176 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)Cn2ccnc2)cc1OC 65424160 YOYKONIGWSPWBC-NSHDSACASA-N 325.390 1.267 0 40 EDAB CCn1cc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c2ccccc21 65443885 QLXCINJWCSHPCF-ZDUSSCGKSA-N 349.456 1.815 0 40 EDAB Cc1noc(C)c1CSCC(=O)N1c2ccccc2C[C@H]1C(N)=O 65492403 GINOWTSKTPIQSG-HNNXBMFYSA-N 345.424 1.968 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)N[C@@H]1CCCc2c1cnn2CCO 65415565 OVIRDRHIFHCXCK-SWLSCSKDSA-N 332.404 1.776 0 40 EDAB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(F)c1)C1=C(COC1=O)N2 4495928 UNGLQWBIGGRRNS-NSHDSACASA-N 343.314 1.064 0 40 EDAB O=C(CNC(=O)c1cc2c(s1)CCCC2)N[C@H]1CCCCNC1=O 65609469 PTVABTSDNBZRHD-LBPRGKRZSA-N 349.456 1.142 0 40 EDAB C[C@H](C(=O)NCc1ccc(F)cc1)N1CCN(c2cnccn2)CC1 27634134 TWYFYVZRJBTWFF-CQSZACIVSA-N 343.406 1.443 0 40 EDAB CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1 67557075 DJAABXPWVTUKRN-CYBMUJFWSA-N 337.395 1.762 0 40 EDAB O[C@@H](COCc1ccccc1)CN1CCN(c2ncccn2)CC1 68049504 FZZVZTWVEUJIBM-QGZVFWFLSA-N 328.416 1.176 0 40 EDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc(Br)cc12 19481373 KPWIGQJHUKOUNV-SECBINFHSA-N 330.207 1.862 0 40 EDAB in-vitro COC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 8268618 BWDBKSKUQCTEHZ-NEPJUHHUSA-N 336.388 1.208 0 40 EDAB O=C(CN1CCO[C@@H](Cn2cncn2)C1)N(C1=CCCCC1)C1CC1 70005053 DNIPAFCJMYHBEB-QGZVFWFLSA-N 345.447 1.428 0 40 EDAB CCc1nc(CN2CCC[C@@H](Nc3cc(C)nc4ncnn34)C2)no1 69436452 IFBGHGVSAOTKDI-GFCCVEGCSA-N 342.407 1.455 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3[nH]2)n(C)c1 9337383 OWQTWJCZAPOEQW-UHFFFAOYSA-N 333.373 1.062 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)CCc2ccco2)cc1 9479163 MEGUNMSJRGRKCF-UHFFFAOYSA-N 336.413 1.578 0 40 EDAB CN(C)c1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)nn1 84240423 KNWMRXHYFJCQLT-NSHDSACASA-N 335.408 1.282 0 40 EDAB C[C@@H](C(=O)/N=c1/sccn1Cc1ccccc1F)S(C)(=O)=O 97127758 CZOSYTOEQDVFKW-FDZZMLEXSA-N 342.417 1.597 0 40 EDAB O=C(CC1(N2CCOCC2)CCCC1)N1CCN(CC(F)F)CC1 96444675 BBQDGJWAFPMGBJ-UHFFFAOYSA-N 345.434 1.431 0 40 EDAB CCO[C@H](C)c1noc(CN2CCN(c3ncc(C)c(C)n3)CC2)n1 96486668 REEGVPOKHOZSJU-CQSZACIVSA-N 346.435 1.896 0 40 EDAB CCc1nc2ccccc2n1CC(=O)N1CCN(C[C@H](C)O)CC1 71871059 JARFCCSUMQVYQO-AWEZNQCLSA-N 330.432 1.124 0 40 EDAB CC1CCN(C[C@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 71825000 YPODGDLYEHZXEJ-DBQDNQAGSA-N 337.464 1.580 0 40 EDAB NC(=O)C1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)CC1 71806100 KFUGEQMCHPUCHE-UHFFFAOYSA-N 330.306 1.808 0 40 EDAB CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccco2)c(F)c1 72301943 IMEHOCXIONESHF-UHFFFAOYSA-N 330.312 1.995 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2CCc3ncnc(N(C)C)c3C2)cc1 97202491 WNWLZGZYDCETAF-HNNXBMFYSA-N 342.443 1.649 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N2C[C@H](C)[C@@H](N(C)C)C2)n1 78896693 UMOGPHIPLDRQDE-AAEUAGOBSA-N 339.871 1.998 0 40 EDAB C[C@H](NC[C@@H]1CCO[C@@H]1c1cnn(C)c1)C(=O)NCc1cccs1 84001371 VLPDYIKQSSRSHC-XEZPLFJOSA-N 348.472 1.854 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)N=c1cc[nH]cc1 78806508 OXMMRNFCOLIVGX-CYBMUJFWSA-N 347.440 1.539 0 40 EDAB O=C(CCn1nc2ccccn2c1=O)NCCCc1nccs1 95395259 JYQFQHZQBKXTKA-UHFFFAOYSA-N 331.401 1.092 0 40 EDAB CC(=O)N1CCc2cc(NC(=O)CN(C)[C@@H](CO)C(C)(C)C)ccc21 84752594 CKNGTRQIJDOMGO-KRWDZBQOSA-N 347.459 1.873 0 40 EDAB C[C@@H](NCC(=O)N1CCNC(=O)C1)c1cccc(Br)c1 95984428 QLQHJAALOKRLPV-SNVBAGLBSA-N 340.221 1.058 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@@H]3COc4ccccc4C3)CCO2)n1 89289721 KJZGPVUFGAKPJE-DZGCQCFKSA-N 342.399 1.518 0 40 EDAB COc1cccc(CC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c1 75042447 OVXQBLYPOZIGGS-UHFFFAOYSA-N 333.432 1.890 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC2(CC1)OC[C@@H](C)O2 75143579 OHXARIWVLHEVAJ-CHWSQXEVSA-N 327.425 1.084 0 40 EDAB O=C1[C@H](n2c(-c3ccccc3)noc2=O)CCN1CC(F)(F)F 89853200 IWMCIZNEHBWIOD-SNVBAGLBSA-N 327.262 1.839 0 40 EDAB CCOCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C 408708494 IUKQCHSJAUOKGW-UHFFFAOYSA-N 335.404 1.306 0 40 EDAB CCc1nccn1-c1cncc([C@@H]2CCCN2C(=O)CN(C)C)n1 72378584 ODIHIMICGPCNCG-AWEZNQCLSA-N 328.420 1.450 0 40 EDAB CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C)N)C1 79412939 YGIOWVCQSYASDA-GOEBONIOSA-N 333.432 1.982 0 40 EDAB CCCC(=O)N1CCc2nc([C@@H]3CCCN(C(C)=O)C3)ncc2C1 72390902 RZRCYAVUSRMDRR-CQSZACIVSA-N 330.432 1.887 0 40 EDAB CCOc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1ccccc1 72264702 RGJYTVJICBPKGV-LBPRGKRZSA-N 349.412 1.188 0 40 EDAB Cc1nc(Nc2ncccn2)cc(C2CN(C(=O)c3cnccn3)C2)n1 72382705 DKMGHZPCCGLIAI-UHFFFAOYSA-N 348.370 1.348 0 40 EDAB COc1ccc(CCS(=O)(=O)NC[C@@H](O)Cc2ccccc2)cc1 70639338 XFBBWIBCLWZEIY-KRWDZBQOSA-N 349.452 1.761 0 40 EDAB COc1ccccc1CNC(=O)CN1CC[C@H](c2n[nH]c(C)n2)C1 567219537 VOKMFXWCGQVZEZ-AWEZNQCLSA-N 329.404 1.227 0 40 EDAB Cc1ccc(CNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cn1 78988656 UOJQZSGXQLULBF-NSHDSACASA-N 330.310 1.352 0 40 EDAB CC(C)NC(=O)Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O 49410797 XWZQXMLIRJBDPJ-UHFFFAOYSA-N 344.350 1.298 0 40 EDAB CCn1nc(C)c(NC(=O)c2ccc(OC)c(OC)c2)c1C(N)=O 72265476 DBZOSYBULSVJRL-UHFFFAOYSA-N 332.360 1.580 0 40 EDAB Cc1cnc(S(=O)(=O)CC(=O)N2c3ccccc3C[C@@H]2C)nc1 193887209 AIFHHJMPARHWSE-LBPRGKRZSA-N 331.397 1.537 0 40 EDAB O=C(c1cc2c(cc1Br)OCCO2)N1CCNCC1 41126599 OFJKILVPVDWOFS-UHFFFAOYSA-N 327.178 1.266 0 40 EDAB O=C1C[C@@]2(CCN(Cc3cnn(-c4ccccc4F)c3)C2)C(=O)N1 82099469 RVCSSVCMSMIJRX-QGZVFWFLSA-N 328.347 1.250 0 40 EDAB Cc1ccc(CN2CCc3nnc(COCCN(C)C)n3CC2)s1 96058867 JFSCLOJVFSXXCF-UHFFFAOYSA-N 349.504 1.785 0 40 EDAB Cc1c[nH]c(=O)n1-c1cccc(NC(=O)CN(C)[C@H]2CCSC2)c1 95449166 HBNSQQPWIFGLOU-HNNXBMFYSA-N 346.456 1.850 0 40 EDAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)nn1 96066251 STNNTFCDIOROFP-SOUVJXGZSA-N 332.404 1.323 0 40 EDAB O=C(N[C@H]1CCCc2c1cnn2CCO)c1nc2ccccc2[nH]1 95395131 NZKGADPUSVZFBK-LBPRGKRZSA-N 325.372 1.559 0 40 EDAB COC[C@@H]1c2nnn(C)c2CCN1C(=O)CCc1cccc(OC)c1 96045273 UJWVMALHFRBZIW-MRXNPFEDSA-N 344.415 1.529 0 40 EDAB Nc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCOC2)cc1Cl 96427796 SHEUYXHKITVWRI-ZETCQYMHSA-N 325.217 1.890 0 40 EDAB CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCNCC2 96144922 VMMUZDGXSVCYHJ-UHFFFAOYSA-N 346.456 1.404 0 40 EDAB CCOc1ccc(NC(=O)CCNC(=O)c2cc(C)nn2C)cc1 96192451 DCRSKTASEJGYPS-UHFFFAOYSA-N 330.388 1.886 0 40 EDAB CCN1CCN(C(=O)NCc2cccc(-c3cnn(C)c3)c2)CC1 95447917 VPZSDFXQYKSECC-UHFFFAOYSA-N 327.432 1.934 0 40 EDAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 96108708 UGPDPQQYZNIJAH-CJNGLKHVSA-N 339.461 1.005 0 40 EDAB COc1cc(C(=O)Nc2cc(C(=O)O)cc(S(C)(=O)=O)c2)on1 431523705 MKTDWDHORHAFBN-UHFFFAOYSA-N 340.313 1.037 0 40 EDAB NC(=O)[C@H]1CN(Cc2cc(Br)cc3c2OCC3)CCO1 97379102 LBISNXKTOMDLIS-GFCCVEGCSA-N 341.205 1.070 0 40 EDAB NC1CCN(c2nccn3c(=O)n(Cc4ccccc4F)nc23)CC1 96530674 UUHIYOOBPNXXEE-UHFFFAOYSA-N 342.378 1.006 0 40 EDAB C[C@@H]1CN(C(=O)c2ccno2)C[C@]12CCN(c1cccnc1)C2=O 96201748 UMFHBOHCYNWAJM-SJKOYZFVSA-N 326.356 1.585 0 40 EDAB O=C(c1c(Cl)nc2ccccn12)N1CCC[C@H]1Cn1ccnn1 583619090 RDNOLJUGQODLIA-NSHDSACASA-N 330.779 1.884 0 40 EDAB O=C(N[C@H]1CCC12CCN(C(=O)c1ccco1)CC2)c1cnccn1 96051506 QHLGKGVZTBPVEV-HNNXBMFYSA-N 340.383 1.884 0 40 EDAB CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)Cc3cccs3)C2)O1 96063338 YYJCYROHAKEEQE-YOEHRIQHSA-N 338.473 1.629 0 40 EDAB C[C@@H]1c2nc(C(=O)N(C)C)cn2CCN1Cc1ccc2c(c1)OCO2 247977712 IYTKCUVNTFFNET-GFCCVEGCSA-N 342.399 1.890 0 40 EDAB Cn1cccc1[C@@H]1COCCN1[C@H]1CCN(CC(F)(F)F)C1=O 249283551 OMALMISIVFIKSV-STQMWFEESA-N 331.338 1.562 0 40 EDAB C[C@@H](CN[C@H](C)CC(=O)N1CCCCCC1)N1CCOC[C@H]1C 245281216 AIYYZTWMEXNOQI-IXDOHACOSA-N 325.497 1.866 0 40 EDAB CN(C)c1cnc(C[C@H]2CCCN(C(=O)c3cc[nH]n3)CC2)cn1 257305387 SPUCAFYAXIIAGC-ZDUSSCGKSA-N 328.420 1.751 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)N3CC(n4ccnn4)C3)CC2=O)cc1C 253471078 AYXUKFZSZJQMIQ-CQSZACIVSA-N 339.399 1.331 0 40 EDAB O=S(=O)(NCC1OCCCO1)c1ccc(Br)cc1 584908896 ZHAOANJPTXEPBT-UHFFFAOYSA-N 336.207 1.490 0 40 EDAB COCCN1CCC[C@H](NS(=O)(=O)c2cc(F)ccc2F)C1 584906757 SKWWBXRPYYADEB-LBPRGKRZSA-N 334.388 1.354 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)n1 257312491 UOECHFUBIXRRPX-OAHLLOKOSA-N 342.399 1.344 0 40 EDAB C[C@H](CC(=O)N(C)c1ccccc1)NC[C@H]1CN2CCC[C@H]2CO1 252487230 URIJSQSFNFCDBF-NJAFHUGGSA-N 331.460 1.881 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257294486 QUKBERKAFZRPOW-OAHLLOKOSA-N 329.404 1.670 0 40 EDAB Cc1c(C(=O)N2C[C@@H](O)[C@H](N3CCN(C)CC3)C2)oc2ccccc12 257253266 JYEUKNXCKSVGJV-HZPDHXFCSA-N 343.427 1.174 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCn3ncc(Br)c32)o1 585122528 VLXHWFHYWYJMTH-UHFFFAOYSA-N 332.179 1.756 0 40 EDAB Cc1cnc(NS(=O)(=O)c2cnn(C)c2Br)s1 585129689 RVFYBAKVOKRXBW-UHFFFAOYSA-N 337.224 1.748 0 40 EDAB Cc1cc(N(C)C)nc([C@H]2COCCN2CC(=O)N2CCCCC2)n1 257228764 FVDJVZSLIQGTJH-OAHLLOKOSA-N 347.463 1.237 0 40 EDAB Cc1c[nH]c([C@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1 257204699 AVXZVXNDMPASDF-OAHLLOKOSA-N 326.404 1.951 0 40 EDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cccc(O)n1 257298887 RNRGCNSVJWDSAF-WLLUSJSYSA-N 329.400 1.791 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3cnccn3)CCO2)n1 257238077 HJLYYWOBMRKICX-MRXNPFEDSA-N 327.388 1.460 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCO1 257317843 VLKNNEPSAGCPQZ-INIZCTEOSA-N 344.367 1.592 0 40 EDAB CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)C2(N)CCCC2)C[C@H]1O 257303191 SGDZFXNVFKSTEV-HZPDHXFCSA-N 335.423 1.101 0 40 EDAB CC[C@H](C(N)=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 601761650 STKHFHVPRLMAGJ-HUUCEWRRSA-N 325.840 1.255 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)n2cnnn2)c(OC)c1 1614476544 ONDRPSAJHMUEKK-BXUZGUMPSA-N 331.376 1.615 0 40 EDAB COC1(c2noc(-c3ccc(CN4CCNC(=O)C4)cc3)n2)CCC1 390834037 QPQOPJUYCLAAMR-UHFFFAOYSA-N 342.399 1.694 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCC2CCOCC2)C1 575406711 QXAVPPLTPKMOHU-INIZCTEOSA-N 348.447 1.355 0 40 EDAB O=C(O)CN1CC[C@@H](n2cnc3c(oc4ccccc43)c2=O)C1=O 663218535 ACGLHJOYKSPYAK-SNVBAGLBSA-N 327.296 1.001 0 40 EDAB CCCCC(=O)N1Cc2ccnn2[C@H](COCC(=O)N2CCCC2)C1 575405316 YPMJRZOSXYVBPA-INIZCTEOSA-N 348.447 1.596 0 40 EDAB CSCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585096008 XTRXRGZGODOODC-ZDUSSCGKSA-N 338.433 1.074 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1cccnc1N 585288358 XFPPKWXOLJSIAE-SCLBCKFNSA-N 346.431 1.342 0 40 EDAB CO[C@@]1(COc2cccc(C)c2)CCCN(C(=O)CNC(C)=O)C1 585275153 YLLUZRPQPSXAEA-SFHVURJKSA-N 334.416 1.518 0 40 EDAB Cn1nc(C(C)(C)C)cc1NC(=O)CSc1nc2ncccn2n1 53662002 SCHPRTUUWDLDAX-UHFFFAOYSA-N 345.432 1.886 0 40 EDAB O[C@H](CN1CCc2ccccc2C1)CN1CCC[C@@H]1Cn1cccn1 71876978 AXUTWZNECNLSQY-WOJBJXKFSA-N 340.471 1.767 0 40 EDAB COc1cc(NC(=O)[C@H]2CSCCC(=O)N2)cc(OC)c1OC 75171396 OYKYBFGMHCPMJU-SNVBAGLBSA-N 340.401 1.273 0 40 EDAB CCn1c2cc(C)oc2c2cnn(CC(=O)N3CCCC3)c(=O)c21 12183612 UZWGOWYAXSEFJC-UHFFFAOYSA-N 328.372 1.895 0 40 EDAB CCC[C@H](C)NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 12522376 QHXYNBBKNYPKTO-NSHDSACASA-N 325.434 1.001 0 40 EDAB COc1ccc(C(=O)N2CCn3c(nnc3C3CC3)C2)cc1OC 12158710 WLHIFCUHMPEHJM-UHFFFAOYSA-N 328.372 1.829 0 40 EDAB CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC 16610188 RSKNHBNCODIVAK-LLVKDONJSA-N 344.433 1.239 0 40 EDAB CCOC(=O)c1ccc(NCCCc2c(C)nc(N)[nH]c2=O)cc1 17040245 QGRSLTIQKHDDAS-UHFFFAOYSA-N 330.388 1.882 0 40 EDAB Cc1c(CN2CCc3nc4sccc4c(=O)n3CC2)cnn1C 19553766 UCJPWOXNWWPLSI-UHFFFAOYSA-N 329.429 1.558 0 40 EDAB CCOC(=O)CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 154804731 TXXLYWMQIWTDLO-UHFFFAOYSA-N 338.355 1.632 0 40 EDAB CCOc1ccc(N2C[C@@H](NC(=O)N3CCN(C)CC3)CC2=O)cc1 4373633 WWKPCRATMCNUGN-AWEZNQCLSA-N 346.431 1.148 0 40 EDAB Cc1cccc(OC[C@]2(O)COCCN(Cc3cn(C)cn3)C2)c1 643914330 OYFOLDZCIQJBHP-GOSISDBHSA-N 331.416 1.371 0 40 EDAB Cc1csc(Cc2nc(-c3c(N)n(C)c(=O)n(C)c3=O)cs2)n1 9450446 GIENMRGTUZDGJM-UHFFFAOYSA-N 349.441 1.145 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NCc3ccccn3)CC2=O)cc1 220269 KFPJQBNZNLJKJG-HNNXBMFYSA-N 339.395 1.755 0 40 EDAB CSc1ncc(Br)c(N2CCC(C(N)=O)CC2)n1 1889059861 FLIMCDGEOIVZIX-UHFFFAOYSA-N 331.239 1.663 0 40 EDAB C[C@@H](C(=O)NCC1CCOCC1)n1nc(C(F)(F)F)ccc1=O 1888888054 ANYGBILHTMXAAE-VIFPVBQESA-N 333.310 1.366 0 40 EDAB COc1cc2ncnc(N3CCC4(CC3)OCCO4)c2cc1OC 1888941744 MVYFZIYLWDAPPU-UHFFFAOYSA-N 331.372 1.990 0 40 EDAB CN(C)c1ccc(N2CCN(c3ncnc4cnccc34)CC2)nn1 1889149160 NTGQZODYDYSWCS-UHFFFAOYSA-N 336.403 1.207 0 40 EDAB Cc1ccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)o1 30643787 YSIIRSBVTYKRSN-UHFFFAOYSA-N 329.404 1.320 0 40 EDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 31050423 XFJMYRIHXBQNSM-HNNXBMFYSA-N 343.427 1.324 0 40 EDAB Cn1cccc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c1=O 238865971 LUBMCCZERASGGF-UHFFFAOYSA-N 335.367 1.341 0 40 EDAB COC(C)(C)C(=O)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037905643 UWQOYJKWFDTPHO-QGZVFWFLSA-N 325.380 1.983 0 40 EDAB Cc1cncc(CN2CCO[C@]3(COCC(=O)N(C(C)C)C3)C2)c1 2037981168 XUKPVIFYXCDPBV-GOSISDBHSA-N 333.432 1.228 0 40 EDAB Cc1cc(N2CC[C@@H](COc3ccc4nccn4n3)C2)n2nccc2n1 2087050546 IXXYYIRJVJUTAH-CQSZACIVSA-N 349.398 1.986 0 40 EDAB O=C(NCC1CC1)c1ccc2n1CCN(C(=O)CC1(O)CCC1)CC2 1565545574 KMGBFSSECYDRBZ-UHFFFAOYSA-N 345.443 1.318 0 40 EDAB Cc1nc(C(=O)N2CCCn3c(nnc3Cn3ccnc3)C2)cs1 1565556438 IABGBWWZJSYXNN-UHFFFAOYSA-N 343.416 1.334 0 40 EDAB Nc1ncc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)cn1 12122665 VLJPUIFUHGCMSL-UHFFFAOYSA-N 335.371 1.175 0 40 EDAB Cc1nccn1CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 29937797 AVFJLPGZMPRAPM-OAHLLOKOSA-N 339.461 1.540 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1ccc(OC[C@H]2CCCO2)cc1 40486203 GTKPXDZUQVWGED-OAHLLOKOSA-N 342.399 1.712 0 40 EDAB O=C1CN(c2ccc(NC(=O)NCCc3cccs3)cn2)CCN1 40540899 GTXJBVILLDLSIE-UHFFFAOYSA-N 345.428 1.444 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)NCc1ccc(-n2cccn2)cc1 40529418 XYZVOVNTTWEXRT-AWEZNQCLSA-N 347.444 1.279 0 40 EDAB CC(C)N(CCCNC(=O)c1ccc2c(c1)CCO2)S(C)(=O)=O 40535325 NBZXDKNJIKCDRJ-UHFFFAOYSA-N 340.445 1.411 0 40 EDAB Cc1csc(CNC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)n1 32147618 BGFCKYVPKMCCCH-UHFFFAOYSA-N 343.412 1.834 0 40 EDAB C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)CSc1nncn1C1CC1 101985423 CIVVNVRPGOKMMQ-BPLQLKKBSA-N 332.433 1.933 0 40 EDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1n[nH]c2ccccc12 46050196 AQIJMPJQWQIOLY-BBRMVZONSA-N 344.415 1.030 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)[C@H](C)n2cncn2)CC1 29755482 RJDLQWBVEJHZCY-AWEZNQCLSA-N 329.404 1.587 0 40 EDAB CC(C)Cc1nc(Cn2nnc(-c3ccc(C(N)=O)cc3)n2)no1 69520375 JOOBNDKLSNJVHB-UHFFFAOYSA-N 327.348 1.069 0 40 EDAB COCCn1cc(C(=O)Nc2ccccc2N(C)C(C)=O)ccc1=O 76017139 RIEQSLQWKMBYGZ-UHFFFAOYSA-N 343.383 1.730 0 40 EDAB Cc1cc(NC(=O)CN2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)no1 78879690 KKWAVVNXFFVWJH-NSHDSACASA-N 334.380 1.237 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@@H]1N(C)C 78897117 VIKVDYGIULCDEM-JJAZEVLHSA-N 330.432 1.010 0 40 EDAB Cc1ccc(C(=O)Nc2n[nH]c(-c3c(F)cccc3F)n2)c(=O)[nH]1 78993854 SZCYJACAAGIXJO-UHFFFAOYSA-N 331.282 1.999 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCN(c2cnccn2)CC1 46829842 KJNIMTBODGVUAD-HZPDHXFCSA-N 347.463 1.904 0 40 EDAB COc1cc([C@H]2[C@@H]3[C@H](C)NC(=O)N(C)[C@@H]3NC(=O)N2C)ccc1O 4026520 MARUVGFEWOBMAJ-GZBPVQSJSA-N 334.376 1.083 0 40 EDAB biogenic C=CCNC(=S)N/N=C\c1cccc(OCC)c1OCC(=O)O 6965045 PBCLDYIFAKBVPK-MFOYZWKCSA-N 337.401 1.533 0 40 EDAB CCn1ncc2c1C(=O)N[C@@H]1c3ccc(OC)c(OC)c3C(=O)N21 488603 NIMKQHLUJOBMEH-AWEZNQCLSA-N 328.328 1.323 0 40 EDAB biogenic C[C@@H]1CCCC[C@@H]1OCCNC(=O)C1CCN(S(C)(=O)=O)CC1 47009594 JQIPCBUCPIOACU-HIFRSBDPSA-N 346.493 1.370 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)COc2cccc(S(C)(=O)=O)c2)C1 47368236 ZXXILQBPDQAPOT-STQMWFEESA-N 325.430 1.973 0 40 EDAB CC(C)c1nc2cc(NC(=O)Cn3ccc(=O)[nH]c3=O)ccc2o1 33217050 KOOYOQAAVDQHHF-UHFFFAOYSA-N 328.328 1.440 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(-n3cnnn3)c2)c1 8768800 QPIWCFQELUVFRW-UHFFFAOYSA-N 343.368 1.318 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)C1(c2cccc(C)c2)CC1 53058248 JZUAPALZZPCYFZ-UHFFFAOYSA-N 338.473 1.814 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 69656225 SAPXALLRWVLDKR-HOTGVXAUSA-N 336.457 1.789 0 40 EDAB O[C@H]1O[C@@H]2CC[C@@H]3C[C@H]4[C@@H]([C@H]32)[C@@H]1[C@H]1[C@H]2[C@@H]4C[C@H]3CC[C@@H](O[C@H]1O)[C@@H]23 104290467 LLQSWWSEGPPGKJ-LERSCNHKSA-N 332.440 1.991 0 40 EDAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cnn(C)c3)n2)cc1 61719180 GWQIWPZJUHLUMQ-UHFFFAOYSA-N 339.355 1.291 0 40 EDAB COc1ccc(N2C(=O)[C@H]3ON=C(C(=O)c4ccco4)[C@@H]3C2=O)cc1 100355159 KSPXJRDIKWFAOB-WFASDCNBSA-N 340.291 1.415 0 40 EDAB CC(C)OCCOC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 53706946 KCXQRMVYUPJUNJ-OAHLLOKOSA-N 334.416 1.970 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)n1 54121501 JDVCMYBHGKCNFM-ZIAGYGMSSA-N 346.431 1.875 0 40 EDAB CCO[C@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1ccc(C)cc1)CCO2 107720488 RERGYFCSNDZXOY-BZUAXINKSA-N 325.430 1.952 0 40 EDAB COC(=O)C[C@H]1CCCCN1CC(=O)NCCc1ccc(OC)cc1 53616343 NORDLYQRFHGMMH-MRXNPFEDSA-N 348.443 1.772 0 40 EDAB O=C(OC1CCCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 24024445 ZABCGGHJSYCTPD-LLVKDONJSA-N 342.417 1.028 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCO[C@@H](CN(C)C)C1 106787328 YSUBQHOIBDCDDB-HLLBOEOZSA-N 347.459 1.277 0 40 EDAB CN(CC(=O)N[C@@H]1CCc2cc(F)ccc21)c1ncnc2[nH]cnc12 56315114 RMOYVJBVTIWAGZ-CYBMUJFWSA-N 340.362 1.732 0 40 EDAB CC(=O)N1CCC(NC(=O)NCCc2cn3ccccc3n2)CC1 48155013 GUOVPPHZPYYTSF-UHFFFAOYSA-N 329.404 1.187 0 40 EDAB CCOc1ccc(S(=O)(=O)Nc2nc(O)c3[nH]cnc3n2)cc1 28249500 CFFJURFJHNTKMV-UHFFFAOYSA-N 335.345 1.258 0 40 EDAB CCN(CC)C(=O)CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1 48251697 KSNQMPNOWMDEOR-UHFFFAOYSA-N 343.431 1.189 0 40 EDAB C[C@@H]1CCCCN1CCNC(=O)c1cccnc1N1CCOCC1 48221226 IAJKLYBQGJMLCM-OAHLLOKOSA-N 332.448 1.522 0 40 EDAB COCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C 28650458 UQAMBNSUTKIBKX-UHFFFAOYSA-N 328.434 1.448 0 40 EDAB Cc1cccc(CN2CCC3(CC(NC(=O)c4cnccn4)C3)C2)n1 108533574 ODFOFGUSBCUGOS-UHFFFAOYSA-N 337.427 1.965 0 40 EDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2OC)C1 3328912 RJUWVQDBIQRIGU-LBPRGKRZSA-N 327.402 1.659 0 40 EDAB Cc1nc(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)cn1C 58191443 APIRCOWVRYURKY-UHFFFAOYSA-N 349.460 1.592 0 40 EDAB CCc1cccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 58245348 YJDOKEWAFBYLNH-INIZCTEOSA-N 345.443 1.368 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1F 72268957 XCXSTEKNYUPUPU-HOTGVXAUSA-N 336.407 1.434 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N[C@H](CC(C)(C)C)c1ccccc1 58291800 XEXPXBBHHFGKJS-OAHLLOKOSA-N 333.432 1.532 0 40 EDAB CNC(=O)CN(C)C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 44984724 DUVXGTIGGYAMSV-UHFFFAOYSA-N 348.353 1.457 0 40 EDAB C[C@H]1CCCN([C@@H](C)CNC(=O)NCc2nnc3n2CCCCC3)C1 44966681 GKTSJVYVFWOCTH-GJZGRUSLSA-N 348.495 1.924 0 40 EDAB Cc1ccc(OCC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C 58367440 YSZJORDYEARDTO-CQSZACIVSA-N 340.445 1.222 0 40 EDAB CC(C)(NC(=O)CCN1C(=O)CCC1=O)c1ccc2c(c1)OCO2 58343435 QNYBCUUMMSICIW-UHFFFAOYSA-N 332.356 1.306 0 40 EDAB CN1C(=O)N(C)C(=O)C2(Cc3c(ccc4ccccc34)N(C)C2)C1=O 2204731 FBGZLHQQUBFFOJ-UHFFFAOYSA-N 337.379 1.869 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)OCC(=O)c2ccc3c(c2)OCO3)C1 10746492 NOPLKOJISBISEL-ZDUSSCGKSA-N 333.340 1.400 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCn2c1nc1ccccc12 29374686 GMYPDKXXDMINHY-UHFFFAOYSA-N 345.362 1.862 0 40 EDAB c1cc2c(cc1CN1CCN(Cc3nc(C4CC4)no3)CC1)OCO2 29450035 ITMQXZSYOPHVQW-UHFFFAOYSA-N 342.399 1.994 0 40 EDAB C[C@@H](CNCc1c[nH]nc1-c1ccc2c(c1)OCO2)N1CCOCC1 48709870 LFGWUOLJQVEHMA-ZDUSSCGKSA-N 344.415 1.616 0 40 EDAB CC(C)CNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 13005119 FVXOVVOSNLPGJP-AWEZNQCLSA-N 337.445 1.522 0 40 EDAB Cc1ccc(/C=C/C(=O)N2CCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)cc1 69843728 ITFYEEBLTLHCIR-VOTSOKGWSA-N 340.383 1.009 0 40 EDAB Cn1c(=O)c2cc(NC(=O)c3ccc(Cl)cc3)cnc2n(C)c1=O 8748858 ILVJWUYQJAYELM-UHFFFAOYSA-N 344.758 1.538 0 40 EDAB CCc1nc2ccc(Br)cc2c(=O)n1CC(=O)OC 4105171 JIQBDENFNWVZMN-UHFFFAOYSA-N 325.162 1.894 0 40 EDAB CN(C(=O)NCCc1ccc2c(c1)CCO2)C1CCS(=O)CC1 93794239 QOXJCCQAQIIECJ-UHFFFAOYSA-N 336.457 1.717 0 40 EDAB Cc1csc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)n1 13985313 HLXAZVRVNWNNBD-UHFFFAOYSA-N 345.471 1.857 0 40 EDAB CN1CCN(C(=O)C2(NC(=O)Cc3ccccc3F)CCCC2)CC1 65592435 NNICCWNTBJCNHD-UHFFFAOYSA-N 347.434 1.571 0 40 EDAB C[C@H](NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O)c1ccccc1 14186387 BNOWXIOZETVAKN-KBXCAEBGSA-N 337.423 1.776 0 40 EDAB COc1ccc(OCCN2CCN(Cc3nccn3C)CC2)cc1 65610568 FZTOAKCFPKHRDM-UHFFFAOYSA-N 330.432 1.625 0 40 EDAB c1ccc(-c2noc(CN3CCN(c4nccs4)CC3)n2)nc1 65608034 IGWJXUPWHDBLNX-UHFFFAOYSA-N 328.401 1.910 0 40 EDAB Cc1cccc(NCC(=O)NC(=O)NCc2ccccc2)c1C(N)=O 65626486 NXSQJKAVLPURIB-UHFFFAOYSA-N 340.383 1.532 0 40 EDAB Cc1ccc(NC(=O)CN2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 65620573 XXBSJPCMRNRBED-QGZVFWFLSA-N 345.443 1.647 0 40 EDAB C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(N)=O 6532446 ZMWBSMZOVBUBPE-JTQLQIEISA-N 329.385 1.947 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5613849 YYUQCNNWWZVMGL-SMDDNHRTSA-N 326.393 1.315 0 40 EDAB CCOC(=O)C(C)(C)NC(=O)CCCNC(=O)c1ccc(F)cc1 66527899 KXCQAYXVKXOBLY-UHFFFAOYSA-N 338.379 1.794 0 40 EDAB CNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 9219392 LUASINZWOZGMOA-UHFFFAOYSA-N 348.380 1.253 0 40 EDAB COCCn1c(S[C@@H](C)C(=O)N(C)C)nnc1-c1ccncc1 7777225 SSPHBNXHNVSNKB-NSHDSACASA-N 335.433 1.555 0 40 EDAB CCCCO[C@H](C)C(=O)N1CCC2(CC1)CC(C(=O)OC)=NO2 96011938 HPDZSTCZFHLGAR-GFCCVEGCSA-N 326.393 1.502 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(N2CCOCC2)c1 68546185 SNGAKZJGSMXNQD-KGLIPLIRSA-N 348.447 1.948 0 40 EDAB CCCCCC(=O)Nc1cc(=O)[nH]c2nc(-c3cccnc3)nn12 9334914 GCZSQRXLXPKLOX-UHFFFAOYSA-N 326.360 1.998 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)Cc2cc(Cl)ccc2OC)CC1 70006503 OQTXJRQSIDFVGK-HNNXBMFYSA-N 340.851 1.806 0 40 EDAB NC(=O)Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CCC2)cc1 69393856 BWPXPCPEDKQHNR-CQSZACIVSA-N 347.440 1.355 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)cc1 8380515 QBEAQTPOKBFCBV-WFASDCNBSA-N 338.429 1.184 0 40 EDAB COC(=O)CNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 69439515 YAJDTMDNADXCMO-UHFFFAOYSA-N 338.448 1.921 0 40 EDAB COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)c1cccs1)c1ccccc1 69490808 JTQZBLQWCHLDLP-FZMZJTMJSA-N 346.408 1.897 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)C[C@H]3CCCO3)CC2)n1 69493197 SAJBARRFLLCMHV-CQSZACIVSA-N 334.420 1.401 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cccn2-c2ncccc2Cl)CC1 71871479 IDXQOQKPVAXKTG-CYBMUJFWSA-N 348.834 1.664 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71820009 QDXFLGIOZLMWJM-GXTWGEPZSA-N 343.832 1.675 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCN2CCCC[C@H]2C1 71839819 ZIRKIONLXXMEIW-HNNXBMFYSA-N 326.404 1.037 0 40 EDAB CN(CCN1CCOCC1)C(=O)NCc1ccccc1-n1cccn1 83860901 ZAUWBWDVYWYUKN-UHFFFAOYSA-N 343.431 1.346 0 40 EDAB NC(=O)c1cccnc1N1CCC(CNC(=O)c2ccccn2)CC1 71916649 JFKZBQVQHGAGKD-UHFFFAOYSA-N 339.399 1.222 0 40 EDAB Cc1nc(C(=O)N2CCN(S(C)(=O)=O)CC2)c(C(C)C)s1 72402642 IRXAHWQAKCLLGP-UHFFFAOYSA-N 331.463 1.292 0 40 EDAB O=C(NCCCO)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 97367547 YQMBYWLNRZKNSH-LBPRGKRZSA-N 342.342 1.391 0 40 EDAB NS(=O)(=O)CCCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 95394151 PAHUCOMWAUNJTL-JKSUJKDBSA-N 332.425 1.738 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)[C@@H]3Cc4ccccc4O3)CCO2)n1 84630829 LARXYWVLBZEZHP-LSDHHAIUSA-N 342.399 1.832 0 40 EDAB CC[C@@H]1CN([C@@H](C)C(=O)Nc2nccs2)CCN1C[C@@H](C)O 84736444 GBYPBYUJYOJLSO-FRRDWIJNSA-N 326.466 1.247 0 40 EDAB CC1(C)CCc2ccccc2[C@@H]1NC(=O)CN1CCCS1(=O)=O 95434648 TTWGOJARNMMXMK-INIZCTEOSA-N 336.457 1.852 0 40 EDAB CCn1ccnc(NC[C@H]2CCCN2c2cc(NC)ncn2)c1=O 95459427 JLKQDLWJZZLQJY-GFCCVEGCSA-N 329.408 1.176 0 40 EDAB O=C(Cc1cccnc1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 95445943 VJWNGDKZFCQHHE-RBUKOAKNSA-N 339.439 1.623 0 40 EDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1cn3ccccc3n1)CC2 95400593 QHHWKUBBZSYIHR-CVEARBPZSA-N 343.427 1.655 0 40 EDAB CN1CC[C@H](NC(=O)NCCc2ccc(Br)s2)C1=O 89375003 JMNHHPJLKFOJBF-VIFPVBQESA-N 346.250 1.583 0 40 EDAB O=C(C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21)Nc1ccccc1 9913764 BAEJJQILZBWJTL-OAHLLOKOSA-N 333.351 1.851 0 40 EDAB COC[C@@H](O)CN1CCC(NCc2ccc(NC(C)=O)cc2)CC1 89800828 HFYVLBFOMFWRGC-SFHVURJKSA-N 335.448 1.206 0 40 EDAB CC1(C)CN(S(=O)(=O)c2ccc3c(c2)CCC3)CC[S@@]1=O 89919672 JJAWGJBYQCHRIC-HXUWFJFHSA-N 327.471 1.707 0 40 EDAB CN(C)c1ccccc1CN1CCC[C@H](C(=O)N2CCOCC2)C1 75649166 GBWLCLYBMVNWJB-KRWDZBQOSA-N 331.460 1.823 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 409302704 FDOWKVAJEGPZLP-XJIUQZFPSA-N 347.754 1.716 0 40 EDAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)C=C[C@]2(C)O1 37613794 PTHYKKLTUPXSHV-HLNSBACISA-N 327.336 1.696 0 40 EDAB O=C(c1cccs1)N1CC(CS(=O)(=O)NCc2ccco2)C1 521398232 CNTXQOIKVMYRSR-UHFFFAOYSA-N 340.426 1.533 0 40 EDAB CC(C)CNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 521402327 LEWDNDKMDAGLSA-UHFFFAOYSA-N 346.474 1.279 0 40 EDAB COCCNC(=O)Cc1ccc(NS(=O)(=O)c2cccnc2)cc1 38678544 SFCQUOCOHXECKQ-UHFFFAOYSA-N 349.412 1.188 0 40 EDAB O=C(CNCC(F)(F)F)N1CCC[C@H](C(=O)N2CCCCCC2)C1 79047266 OUPDDXCYNFBPSM-ZDUSSCGKSA-N 349.397 1.780 0 40 EDAB COc1cccc(N2CCN([C@H](C)C(=O)NCC(F)(F)F)CC2)c1 72553582 AHVNXDYLOACHEE-GFCCVEGCSA-N 345.365 1.884 0 40 EDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)CCc1ccccc1 71980009 GUNPVIINGAHJPR-HNNXBMFYSA-N 332.400 1.353 0 40 EDAB C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc2c(c1)N(C)CC2 186750971 FTTGVXXOIZLHKR-CQSZACIVSA-N 346.475 1.988 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)N(C)N(C)c2ncccc21 72335318 MHEXFSXXQXBDND-CHWSQXEVSA-N 331.420 2.000 0 40 EDAB C[C@H]1OCC[C@@H]1S(=O)(=O)NCCc1ccc(-n2cccn2)cc1 135505471 BTMGIDJWVWBLCP-CJNGLKHVSA-N 335.429 1.512 0 40 EDAB O=C(O)COc1cccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCO2)c1 567592354 WGDGXXFCRZVMAN-GJZGRUSLSA-N 335.356 1.170 0 40 EDAB Cc1cccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCC3)c2=O)c1C 222659597 XBVNPFUGLGQINW-UHFFFAOYSA-N 343.383 1.437 0 40 EDAB Cn1c(=O)sc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc21 225673110 BWMFEJLRGQRYFF-VIFPVBQESA-N 328.415 1.057 0 40 EDAB CCCCc1nc(C)c(C(=O)NCCN2CCCS2(=O)=O)s1 61597739 CYMLJTQQEQUAGK-UHFFFAOYSA-N 345.490 1.559 0 40 EDAB Cc1nsc(N2CCCN(C(=O)N[C@H]3CC[C@H](O)CC3)CC2)n1 574416108 CPAJGHPSBXSYPQ-JOCQHMNTSA-N 339.465 1.372 0 40 EDAB COc1cccc(C(=O)N2CC[C@H](N3CCCC3)C[C@H]2C(=O)O)c1 96100117 REZYAJDSJYCAKZ-HOCLYGCPSA-N 332.400 1.849 0 40 EDAB CN(Cc1cccnc1)Cc1cn2c(n1)CN(C(=O)C1CC1)CC2 96197494 YGPASEVJIPCGOX-UHFFFAOYSA-N 325.416 1.662 0 40 EDAB CC(=O)N1CCC[C@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 96215491 KHOPANSZBSCLRO-AWEZNQCLSA-N 328.459 1.771 0 40 EDAB CS(=O)(=O)N[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@@H]21 96057112 JLIOOXUWKIBICE-YUTCNCBUSA-N 330.475 1.277 0 40 EDAB COc1cc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccc(C)o2)ncn1 96064045 KRQVGULHQASESQ-QWHCGFSZSA-N 328.372 1.880 0 40 EDAB c1coc(CN2CCCn3nnc(COCCN4CCCC4)c3C2)c1 96258992 MWMCJGZNTZSXMP-UHFFFAOYSA-N 345.447 1.889 0 40 EDAB O=C(CO[C@H]1CO[C@@]2(CCN(Cc3ccoc3)C2)C1)N1CCCC1 96208909 WDXRQFOYSQRXOS-AEFFLSMTSA-N 334.416 1.652 0 40 EDAB O=C(NC[C@H](O)c1ccccc1F)c1cccc(-n2cccn2)n1 96445854 WPISUKBSNNWQED-HNNXBMFYSA-N 326.331 1.870 0 40 EDAB CC(C)(C)C(=O)[C@@](Cl)(I)S(C)(=O)=O 96518255 HOULQYVLKVYARV-SSDOTTSWSA-N 338.594 1.974 0 40 EDAB CC[C@@H](C)NC(=O)Cn1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96183162 NBOMAKLFSOBTAN-GFCCVEGCSA-N 345.399 1.842 0 40 EDAB Cc1cc(C(=O)N2CC[C@@]3(COCc4cnc(N(C)C)nc43)C2)no1 96080337 JKJXALWDKGGHKJ-KRWDZBQOSA-N 343.387 1.153 0 40 EDAB C[C@@H](CCc1cccn1C)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 96440404 AGHCHGMHUXUQQM-LSDHHAIUSA-N 344.463 1.658 0 40 EDAB CCOC[C@@H]1C[C@@]2(COCCN2C(=O)Cc2ccc(OC)cc2)CO1 96078588 UMGNMDCOWLLRLX-PKOBYXMFSA-N 349.427 1.661 0 40 EDAB COc1ccc2[nH]cc(CCN3C(=O)N[C@H](CCC(=O)O)C3=O)c2c1 98041244 XQJOSFMJFDVWFF-CQSZACIVSA-N 345.355 1.504 0 40 EDAB CS(=O)(=O)N1CC[C@H](F)[C@]2(CCN(Cc3ccncc3)C2)C1 96241249 BAVQRHNBYMQSQU-GJZGRUSLSA-N 327.425 1.277 0 40 EDAB COc1nn(C)c2c1CCCN(S(=O)(=O)c1cccs1)C2 96254487 QSYBNFCYBCBJPO-UHFFFAOYSA-N 327.431 1.627 0 40 EDAB Cn1ccnc1CCNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 95952883 HWQCPFDJJLSYEX-ZDUSSCGKSA-N 336.436 1.868 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2Cc2nccc(N)n2)cc1 583615515 BPWRFTILGZBNNU-CRAIPNDOSA-N 328.416 1.940 0 40 EDAB CC(C)(O)CNC(=O)c1c(F)cccc1I 96473105 XGMRRBNFPWFPRY-UHFFFAOYSA-N 337.132 1.931 0 40 EDAB CC(=O)N(C)CC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 96495840 OXGSCSYAMRKQEM-OAHLLOKOSA-N 341.415 1.656 0 40 EDAB O=C(C1CC(F)(F)C1)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 96108204 XBAJMJLSMYOKBP-LSDHHAIUSA-N 340.370 1.984 0 40 EDAB CN(C)C[C@@H]1C[C@@H]2CN([C@@H]3CCOC3)CC[C@@H]2N1c1nccs1 247964825 GFUPWYIPEOIFLO-WCVJEAGWSA-N 336.505 1.763 0 40 EDAB O=S(=O)(C1CC1)N1Cc2cccn2[C@H](COc2ccccn2)C1 247289195 AIFAPXOCTLBESY-AWEZNQCLSA-N 333.413 1.811 0 40 EDAB O=C1C[C@]2(CC[C@H]3[C@H]2[C@@H]3C(=O)N2CCOCC2)Oc2ccccc21 248071427 YFOIXAIPVSGPGZ-WKCGWZECSA-N 327.380 1.905 0 40 EDAB C[C@H]1CC(NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C[C@H](C)C1 585090339 RTKGLSYQFGEMFF-HSMVNMDESA-N 336.407 1.857 0 40 EDAB Cn1nccc1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 257212486 CDRDGQFOAXTQNI-LBPRGKRZSA-N 335.433 1.091 0 40 EDAB CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)NCc1ccn(C)c1 585137908 ZVSJJPHMIDHXBI-MRXNPFEDSA-N 334.464 1.810 0 40 EDAB Cc1cc(N[C@H](CO)[C@H](O)c2ccc(Cl)cc2)n2ncnc2n1 585132775 URCNIZMMEQTASH-TZMCWYRMSA-N 333.779 1.593 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(N)nc(Br)c1 585121128 GMYKSPFXLKLTGI-VIFPVBQESA-N 341.209 1.119 0 40 EDAB CCOc1cccc(CNC(=O)CCn2cnc3c(N)ncnc32)c1 585101417 JYOIGKZUSVNOFD-UHFFFAOYSA-N 340.387 1.514 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)Cc1ccc(-n2ccnc2)cc1 585121620 UFIMZXSQAAXGBD-MRXNPFEDSA-N 326.400 1.494 0 40 EDAB Cn1nc(N)c2ccc([C@H]3CCCN(CC4(O)CCOCC4)C3)nc21 257338999 YZUXZSAZKDFCFO-ZDUSSCGKSA-N 345.447 1.271 0 40 EDAB CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H](CO)NC(=O)c1ccccc1 252507626 WPYVOSXLLGXPKW-OAGGEKHMSA-N 348.443 1.345 0 40 EDAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CCO[C@@H](c2cnccn2)C1 257301206 RXJZAIPCTXPRKY-MRXNPFEDSA-N 336.355 1.475 0 40 EDAB COC[C@H](NC(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1)c1ccc(C)o1 252487047 HRDPXBNKVAJRQU-MBNYWOFBSA-N 340.376 1.247 0 40 EDAB O=C(c1ccccc1F)N1CCCN(CCn2ccccc2=O)CC1 586829209 WPIBTGZYOMYYGY-UHFFFAOYSA-N 343.402 1.836 0 40 EDAB COC(=O)c1ccc([C@H](NC(=O)N2CC[C@H](O)C2)C(F)(F)F)cc1 361111550 SZFDTKVMWUBOJM-RYUDHWBXSA-N 346.305 1.853 0 40 EDAB CC(=O)N1CCO[C@H](C(=O)Nc2cccc(-c3nccs3)c2)C1 1615002404 ADYBMRMXSJBNCT-AWEZNQCLSA-N 331.397 1.996 0 40 EDAB CCOCCNS(=O)(=O)c1cccc(NCC[C@H](C)CCO)n1 1615046420 WMMKDLGPSDVJHB-ZDUSSCGKSA-N 345.465 1.217 0 40 EDAB CCNc1ncc(S(=O)(=O)N[C@H](CC)CO)cc1C(F)(F)F 1615046271 OKWYFRGNNQJSAB-MRVPVSSYSA-N 341.355 1.581 0 40 EDAB COCCC1(CNc2ccc(N3CCCS3(=O)=O)cn2)CC1 1615585507 IIQRLAAUCLLFMF-UHFFFAOYSA-N 325.434 1.850 0 40 EDAB O=C(c1ccc(O)nn1)N1CCC[C@H]1c1nnc2n1CCCCC2 1616016449 KDJURXCLAUVNDM-LBPRGKRZSA-N 328.376 1.477 0 40 EDAB Cc1csc2ncnc(N3CCC[C@H](n4cnc(C(N)=O)n4)C3)c12 572099918 ZTRJUZNHMYELBI-JTQLQIEISA-N 343.416 1.532 0 40 EDAB Cc1cccc(CS(=O)(=O)NCCn2nc(C3CC3)ccc2=O)c1 575609246 SBPDVWFXZAHMOF-UHFFFAOYSA-N 347.440 1.549 0 40 EDAB COc1ncc(CN2CC[C@](O)(COc3ccc(F)cc3)C2)cn1 585268841 AQACUJAJYQSOPB-QGZVFWFLSA-N 333.363 1.640 0 40 EDAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3cncnc3)C2)cc1 585269113 KEPFAYLESZEOMC-SFHVURJKSA-N 327.384 1.831 0 40 EDAB CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)C2CCNCC2)C1 585275823 FTVKJYCQPAQKAP-SFHVURJKSA-N 336.407 1.822 0 40 EDAB Cc1cccc(C(=O)N2Cc3cncn3[C@H](C(=O)NCC3CC3)C2)c1 585095909 UGOCOCDLYVNACA-KRWDZBQOSA-N 338.411 1.915 0 40 EDAB C[C@]1(NC(=O)Cn2ccc3ccc(Cl)cc32)CCS(=O)(=O)C1 52958310 HSNDBTNSIVIWAC-HNNXBMFYSA-N 340.832 1.988 0 40 EDAB Cc1ccc(CS(=O)(=O)c2n[nH]c(=O)n2C[C@H]2CCCO2)cc1 71857356 LMNZODPCXLPPRZ-CYBMUJFWSA-N 337.401 1.033 0 40 EDAB NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)c(O)c1 95978872 GYHQPTBKFRYRFC-SCZZXKLOSA-N 327.178 1.539 0 40 EDAB CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 96025313 AVGHZILTBFYYOS-SECBINFHSA-N 341.813 1.287 0 40 EDAB CCOC(=O)c1cnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nc1 1614701229 CNCFPEDFIMPTQD-LBPRGKRZSA-N 336.392 1.757 0 40 EDAB CCCCC(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5755979 LANRVNMFUMIDIH-JTQLQIEISA-N 328.390 1.394 0 40 EDAB Cc1nnc(SCC(=O)Nc2ccccc2C(C)C)n(N)c1=O 5994696 LUGGCGKJJFXDLX-UHFFFAOYSA-N 333.417 1.515 0 40 EDAB C[C@H]1CN(Cc2ccc(OCC(=O)N3CCCC3)cc2)CC[C@@H]1O 12188246 CVZZLBCUNSFKJF-YJBOKZPZSA-N 332.444 1.891 0 40 EDAB Cn1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cn1 12851539 KNFWAHLPVGKIBJ-UHFFFAOYSA-N 342.355 1.341 0 40 EDAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 13582082 NSTGMINVTVFCNJ-UHFFFAOYSA-N 345.380 1.634 0 40 EDAB COc1cc(Br)cc(/C=C2\NC(=O)NC2=O)c1OC 13895510 OFTHCIDYNGTSQV-YWEYNIOJSA-N 327.134 1.647 0 40 EDAB COC[C@H](C)N(Cc1ccccc1F)C(=O)c1cc(=O)[nH]c(C)n1 19240918 WJEQXYMIWBCKEK-NSHDSACASA-N 333.363 1.895 0 40 EDAB COc1ncc(C(=O)N2CCC[C@@H]2c2nc(C(C)C)cc(=O)[nH]2)cn1 19452583 IJRCKTZTBLPDCY-CYBMUJFWSA-N 343.387 1.669 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NC[C@@H]1CCCO1 19576201 QYSAUTNKEUMJHA-YQNCKWHISA-N 328.368 1.369 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 1368240 CEXOQWBZFCXFKK-GHMZBOCLSA-N 332.447 1.286 0 40 EDAB Cc1ccnc(C(=O)N2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)n1 643576833 PAWJBGIKOASXBD-GDBMZVCRSA-N 329.375 1.990 0 40 EDAB Cc1ncoc1C(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643585983 KPZOFJKADASIGQ-IIDMSEBBSA-N 328.368 1.743 0 40 EDAB Cn1cc(CC(=O)N2CCN(C(=O)C3CC3)CC2)c2ccccc21 35588290 HXHIZLHJSIQZOF-UHFFFAOYSA-N 325.412 1.802 0 40 EDAB O=C(NCC1(OCCO)CCSCC1)c1ccc(F)cc1F 828765480 UXCFUBKLPJQWID-UHFFFAOYSA-N 331.384 1.969 0 40 EDAB O=C([C@@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1)N1CCOCC1 1889095520 TTXZJUDWTSPDJA-LLVKDONJSA-N 344.337 1.571 0 40 EDAB O=C([C@H]1CN(c2ccnc3ccsc23)CCO1)N1CCOCC1 1889114101 GRYUZKNVARTWMC-CQSZACIVSA-N 333.413 1.360 0 40 EDAB COc1nc(OC)nc(N2CCC[C@H](COc3ccnc(C)c3)C2)n1 1889125164 WLCRDVAURQRXNY-ZDUSSCGKSA-N 345.403 1.888 0 40 EDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1nnc2ccccn12 23644702 NLYIFDXYSBNUKG-HNNXBMFYSA-N 341.371 1.393 0 40 EDAB CS(=O)(=O)N1CCN(c2ncnc3cc(Cl)ccc23)CC1 21760266 YCKWEHNNKOYBGY-UHFFFAOYSA-N 326.809 1.365 0 40 EDAB Cn1nc([C@@H]2CN(c3ncnc4[nH]cnc34)CCO2)c2cccnc21 2037844318 SYSVYQBEQUWXSI-NSHDSACASA-N 336.359 1.213 0 40 EDAB Cc1ncnc(C(=O)N2CCc3ncc(CN(C)C)n3CC2)c1C 1565546979 CSPKSMBSXDHFEX-UHFFFAOYSA-N 328.420 1.050 0 40 EDAB O=C(c1csnn1)N1CCc2ncnc(-c3ccoc3)c2CC1 1565554247 VPFHTAMMAZXVEV-UHFFFAOYSA-N 327.369 1.829 0 40 EDAB NC(=O)C1(N2CCCCC2)CCN([C@H]2OC(=O)c3ccccc32)CC1 106581 UOAIYXLSWVRARN-INIZCTEOSA-N 343.427 1.661 0 40 EDAB O=C(NCc1ccccn1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4272672 PJCLRWHPSYTCPE-CQSZACIVSA-N 328.347 1.825 0 40 EDAB COCCCN[C@H](CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)O 4939587 QNKPEKVVJUEEGA-CQSZACIVSA-N 337.376 1.053 0 40 EDAB COCCN1CCC(CNC(=O)C(=O)NC2CCCCCC2)CC1 23127353 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O=C(NCc1nnc2n1CCC2)c1cccc(OC[C@H]2CCCO2)c1 40489880 HGEZYMXDPDDAQK-OAHLLOKOSA-N 342.399 1.712 0 40 EDAB CC(C)C(=O)N1CCC[C@H](C(=O)NCCc2cn3ccccc3n2)C1 40508747 UZTQOWBQIVBWEM-HNNXBMFYSA-N 342.443 1.888 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 40528798 OTACAQDCTIRNCU-LBPRGKRZSA-N 341.429 1.706 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20567031 KURIEINIQSRWTQ-OPMHUXHSSA-N 345.374 1.366 0 40 EDAB CS(=O)(=O)N1CCCN(CCC(=O)Nc2cccc(F)c2)CC1 51534694 JLWHASBMCAQQAH-UHFFFAOYSA-N 343.424 1.122 0 40 EDAB C[C@@H]1CCCN(C(=O)Cn2nnc(-c3ccc(N(C)C)cc3)n2)C1 416959 NYUZRSCYEFHHLR-CYBMUJFWSA-N 328.420 1.665 0 40 EDAB CN1N=C(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)CCC1=O 46352841 ORPCKQNPXPYVSW-CYBMUJFWSA-N 344.419 1.276 0 40 EDAB O=c1c2ccccc2nnn1CCS(=O)(=O)c1ccc(Cl)cc1 29876782 HUVVCTIEPDGTNX-UHFFFAOYSA-N 349.799 1.919 0 40 EDAB COCCN1CCN(CCCS(=O)(=O)c2ccccc2)C[C@@H]1C 70008495 GSAAKFLXRQWUFD-INIZCTEOSA-N 340.489 1.503 0 40 EDAB CN(c1cnn(C)c1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 78050708 YBKZTXVWNBPTTF-UHFFFAOYSA-N 334.401 1.372 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(C)c2)C1 78602835 NRUMIQHBNNNPFI-OAHLLOKOSA-N 333.432 1.469 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 78789332 WREZBAPMKIMHCH-VXGBXAGGSA-N 326.828 1.053 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@@H](c2nc(C(C)C)n[nH]2)C1 78889422 HUBDGXBGCGITOT-SNVBAGLBSA-N 336.421 1.556 0 40 EDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)N(C)Cc2cnccn2)o1 78880935 KJZQECUTMAVLNX-AWEZNQCLSA-N 336.417 1.892 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)OCc3cccc4cccnc34)cnc21 21598344 IUBVPQBNLHAOIZ-UHFFFAOYSA-N 349.350 1.422 0 40 EDAB CN(C)c1ncccc1N(C)C(=O)c1ccc(S(C)(=O)=O)cc1 79725835 GVZKKKIZGYOSSX-UHFFFAOYSA-N 333.413 1.828 0 40 EDAB CCn1ncc(CN(C)C(=O)c2c(Br)cnn2C)c1C 2777626 REPDBOHTGNRDDS-UHFFFAOYSA-N 340.225 1.980 0 40 EDAB NC(=O)c1ccc(F)c(NC(=O)c2ccc(N3CCOCC3)nc2)c1 32933555 NULMZYIVMLRYPY-UHFFFAOYSA-N 344.346 1.409 0 40 EDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 6650057 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BBVONHNGIPMODU-UHFFFAOYSA-N 336.417 1.987 0 40 EDAB CCOc1ccccc1[C@@H]1NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]1C(C)=O 26503460 FUISURMLOMPFRD-DYEKYZERSA-N 346.305 1.895 0 40 EDAB COc1ccc(CNC(=O)CCc2nc(-c3ccncc3)no2)cn1 22321554 DXSXTLVNLIHUSU-UHFFFAOYSA-N 339.355 1.784 0 40 EDAB Cn1cc(CCNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cn1 42729517 WIWVPRHKBPVIFC-KRWDZBQOSA-N 329.400 1.950 0 40 EDAB CC(C)=CC(=O)NCCNS(=O)(=O)c1cccc2nsnc12 12406969 PJVLFZZKDNOWPC-UHFFFAOYSA-N 340.430 1.052 0 40 EDAB COC(=O)c1ccoc1COC(=O)c1ccc2c(c1)OCC(=O)N2 24104686 PLVAJBHCZNRHJN-UHFFFAOYSA-N 331.280 1.754 0 40 EDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc(OC)cc2)C1 57318744 YUMQITRIJVUDBV-ZBFHGGJFSA-N 348.443 1.627 0 40 EDAB O=C1CN(C(=O)CCCOc2ccccc2Br)CCN1 47717996 KUVVLILNTMPMRU-UHFFFAOYSA-N 341.205 1.567 0 40 EDAB Cc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 102590083 HNJNXHVYODQGKP-HWAOXGGSSA-N 336.391 1.987 0 40 EDAB CNc1cc(N2CCC[C@@H]2CN[C@H](C(N)=O)c2ccccc2)ncn1 72276613 ALPDQKJBLFEGAR-PBHICJAKSA-N 340.431 1.303 0 40 EDAB Cc1cc(OCC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)no1 25228390 LSUKCVYQMKOTMO-UHFFFAOYSA-N 347.346 1.486 0 40 EDAB O=C(CN1C(=O)CSc2ccccc21)NCCc1ccccn1 25440065 ZMNXQBCBBXFTKP-UHFFFAOYSA-N 327.409 1.879 0 40 EDAB C[C@H]1CN(S(=O)(=O)Nc2cccc3c2OCCO3)[C@@H](C)CO1 107143452 JCUHHQLHMIGXTC-QWRGUYRKSA-N 328.390 1.224 0 40 EDAB O=S(=O)(NCCn1ccnc1)c1ccccc1Br 25673278 RJOWUDBAIJYGPA-UHFFFAOYSA-N 330.207 1.624 0 40 EDAB COCCn1cc(C(=O)N2CCO[C@H](COC)C2)c2ccccc21 72295786 YDHXQYIMJJNCPJ-AWEZNQCLSA-N 332.400 1.775 0 40 EDAB O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc(=O)[nH]n2)CC1 72289202 PKGADOWBYQUZAB-UHFFFAOYSA-N 333.779 1.777 0 40 EDAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(-n2ccnc2)nc1 12544574 UPXHUVXCTQCYND-CQSZACIVSA-N 336.351 1.837 0 40 EDAB CNC(=O)c1ccc(NC(=O)CN(C)Cc2c(C)noc2C)cc1 24670691 MCKVZUSMUDPOFQ-UHFFFAOYSA-N 330.388 1.722 0 40 EDAB Cc1cc(C)cc(OCCNC(=O)N(C)CC(=O)N2CCCC2)c1 58168982 IYKPTMCLINGOCG-UHFFFAOYSA-N 333.432 1.946 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CSc2ccc3nncn3n2)c1 44892267 HYBRBWPWNKEYDP-UHFFFAOYSA-N 342.384 1.814 0 40 EDAB CC[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(N)=O 58289648 WFOMLKKUXQRMPY-LBPRGKRZSA-N 343.474 1.612 0 40 EDAB C[C@H](C(=O)Nc1ncccn1)N1CCN(Cc2cccc(O)c2)CC1 72308316 OPKYPBLPYHPVAD-CQSZACIVSA-N 341.415 1.327 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(S(C)(=O)=O)cc2)n1 44953358 IKOUCKVGGUNGBL-GFCCVEGCSA-N 349.456 1.970 0 40 EDAB CC(=O)N1CCC(NS(=O)(=O)c2ccc(C)c3ncccc23)CC1 44907151 CFMRHAFLTWNVCV-UHFFFAOYSA-N 347.440 1.832 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)c2ccc(O)c(Cl)c2)C1 58306564 PLCJEGRVXGQEST-JTQLQIEISA-N 332.809 1.199 0 40 EDAB O=C(c1cc2ccccc2[nH]1)N1CCN(c2ncnc3[nH]cnc23)CC1 58329974 KCLSLFGZEXWFSL-UHFFFAOYSA-N 347.382 1.797 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccncc2)NC(=S)N[C@@]1(O)C(F)(F)F 28465963 ISCFPDWNQQKEQN-SBMIAAHKSA-N 349.334 1.031 0 40 EDAB O=C(c1cnc2nc(O)[nH]c(=O)c2c1)N1CC[C@@H]2CCCC[C@@H]2C1 48163126 PBCDFTSDPYIBTB-WDEREUQCSA-N 328.372 1.676 0 40 EDAB Cn1cc(-c2nc(C(=O)NCCNc3cnccn3)cs2)cn1 48278445 PLTMFSXBBQEZNL-UHFFFAOYSA-N 329.389 1.176 0 40 EDAB Cc1nc(CNC(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cs1 45343500 MEENAIUTFBHBDJ-UTUOFQBUSA-N 326.466 1.748 0 40 EDAB CC(C)(C)OC(=O)N1CCN(Cn2nnc(-c3ccccc3)n2)CC1 28739206 HNQJXEBUVPQFSO-UHFFFAOYSA-N 344.419 1.850 0 40 EDAB NC(=O)c1c(NC(=O)CCN2CCOCC2)sc2c1CCCC2 28843224 FDOXQXSHWBAQHW-UHFFFAOYSA-N 337.445 1.387 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1 36801207 UHHKOQDQPIBYGK-UHFFFAOYSA-N 336.369 1.442 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)NCc1nncn1-c1ccccc1 48344989 OMOFEIADXPQTBM-AWEZNQCLSA-N 329.404 1.835 0 40 EDAB CCOC(=O)c1ccoc1CN1CCCN(CC(=O)N(C)C)CC1 69453706 XGCBIQWIFKSYSW-UHFFFAOYSA-N 337.420 1.052 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)CCNc2ncccn2)nc1 69457446 SYBIBXMOXJRWMD-UHFFFAOYSA-N 328.376 1.079 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3594708 HBHAGKNBMBWSAF-DJJJIMSYSA-N 341.411 1.781 0 40 EDAB CCn1cc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cn1 69484241 CKHKAFXZNTUALG-UHFFFAOYSA-N 340.792 1.852 0 40 EDAB OCCNCCNc1ncnc2c1cnn2-c1cccc(Cl)c1 17150066 GLSFPYIURDXIDB-UHFFFAOYSA-N 332.795 1.463 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1OC 69594059 BPYTYFRCXQCWFH-ZDUSSCGKSA-N 342.461 1.727 0 40 EDAB C[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 17328010 MDMLTOONBQQURZ-TUAOUCFPSA-N 344.408 1.128 0 40 EDAB CN1N=C(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)CCC1=O 91764240 JDIGOOZPCAFWBR-HZMBPMFUSA-N 337.326 1.207 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c(=O)[nH]1 91764540 BFVVQQVIPFYHCE-XHDPSFHLSA-N 334.322 1.910 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)N(C)Cc2ccco2)n1 69632891 TXASOJXCBHWLNY-OAHLLOKOSA-N 331.420 1.611 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)COc2ccccc2Cl)s1 13629975 KJAZEPUEIZOGHY-UHFFFAOYSA-N 347.805 1.613 0 40 EDAB Cc1noc([C@@H](C)N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1 69628429 KBBXSQNGMDWMRB-GDBMZVCRSA-N 346.431 1.497 0 40 EDAB O=C(CN1CCN(CCO)CC1)NCCc1cccc2ccccc12 69655680 IRDQZJHCFJVINW-UHFFFAOYSA-N 341.455 1.108 0 40 EDAB COC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1cnn(C)c1 69627564 LOJIRBWPISUAMR-UHFFFAOYSA-N 335.385 1.348 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCC1CC1 39551226 WPMPWVRIMBZDOS-SFHVURJKSA-N 327.384 1.296 0 40 EDAB CCS(=O)(=O)NCCNC(=O)N(Cc1ccc(C)o1)C(C)C 69743649 DXXKHPPITQAQSJ-UHFFFAOYSA-N 331.438 1.447 0 40 EDAB COCCN1CCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@@H]1C 69706757 CYVKQJBYCHLVFY-KSSFIOAISA-N 349.450 1.798 0 40 EDAB CC(C)CN1C[C@H](C(=O)NCCNC(=O)C2CCCCC2)CC1=O 65402280 QTCAUTYWHMMXID-OAHLLOKOSA-N 337.464 1.304 0 40 EDAB Cn1nnnc1SCC(=O)Nc1ccc(N2CCCCC2)cc1 5406016 SCYXZMVZCOMXDA-UHFFFAOYSA-N 332.433 1.931 0 40 EDAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 4680715 UANJTARVOKSVOM-UHFFFAOYSA-N 328.434 1.621 0 40 EDAB O=C(COc1cccnc1)N1CCCN(Cc2cscn2)CC1 69871134 UKZYKSFDZNDEHK-UHFFFAOYSA-N 332.429 1.651 0 40 EDAB C[C@H](NC(=O)NCCOc1ccc(F)c(F)c1)c1nncn1C 69813570 RQMARERUNSRJAG-VIFPVBQESA-N 325.319 1.533 0 40 EDAB O=C(Cc1ccccc1)NCCNC(=O)N1CC[C@H](N2CCCC2)C1 66192480 NHUWROCMHLISRE-KRWDZBQOSA-N 344.459 1.225 0 40 EDAB Cc1cc(C)c2c(c1)N(S(=O)(=O)c1cc(C(N)=O)n(C)c1)CCC2 66587781 FAORTDKWSBOKQP-UHFFFAOYSA-N 347.440 1.882 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@]1(O)CCCc2ccccc21 66930424 OBHQKYRCYHIAGP-ORAYPTAESA-N 342.395 1.738 0 40 EDAB O=C(CN1CCC[C@@H]1c1cccc2c1OCCO2)NC[C@@H]1CCCO1 67231279 ABMWNCQUDIHGPV-GOEBONIOSA-N 346.427 1.890 0 40 EDAB COC(=O)CNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 71185261 SFCZUXRPFXQPAA-UHFFFAOYSA-N 334.353 1.371 0 40 EDAB CN(C)C(=O)OCCN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 96010348 GRBJIVDJJSRRAC-KRWDZBQOSA-N 331.372 1.164 0 40 EDAB CCCc1c(COC)nc(N2CCN(c3ccccn3)CC2)[nH]c1=O 22448546 FIUKGMFRKXEHQP-UHFFFAOYSA-N 343.431 1.590 0 40 EDAB COCCNC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O 113967729 LFPLVBUJMBHMTQ-UHFFFAOYSA-N 344.433 1.004 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1nnc([C@H]2CCCO2)o1 84569287 LMWGCBDBSNOFSJ-LLVKDONJSA-N 341.331 1.213 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)Cn2cnc3sccc3c2=O)cn1 71796948 LMTYGNVKRSPHMC-CYBMUJFWSA-N 343.412 1.555 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=S)NCc1ccc(S(N)(=O)=O)cc1 9582594 WKFCOKPSZNJFRX-BXUZGUMPSA-N 341.502 1.877 0 40 EDAB C[C@H](C(=O)NCCc1cccs1)N1CCCC[C@@H]1Cn1cncn1 71878730 ARCVHMTVYIIXDR-HUUCEWRRSA-N 347.488 1.942 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC[C@H]1Cn1cccn1 71866294 KXWYNQGUBIMCBF-NSHDSACASA-N 327.344 1.326 0 40 EDAB CCCN1CCCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 71850320 FDKSODPGENWMIL-UHFFFAOYSA-N 327.432 1.884 0 40 EDAB Cc1cccn2cc(CNC(=O)c3ccccc3S(C)(=O)=O)nc12 71893394 MPFXCNIOJWNLKK-UHFFFAOYSA-N 343.408 1.976 0 40 EDAB CC(C)CN(CC(N)=O)C[C@@H]1CC(c2c(F)cccc2F)=NO1 71921541 IGYXTWVOWSXKKO-NSHDSACASA-N 325.359 1.901 0 40 EDAB FC(F)(F)c1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)n2ncnc2n1 95458040 FUNFSTNGGWVOPN-RNCFNFMXSA-N 343.309 1.893 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc3nncn3c2)c1C 95466375 YPQSRHZDDZMCNC-UHFFFAOYSA-N 346.368 1.625 0 40 EDAB C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc(F)c(Br)c1 95450089 QQPYIDFIIAYNBB-SCZZXKLOSA-N 332.169 1.810 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCO[C@@H](C)C2)c1C 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CCc1ncnc(N2CC[C@@H](Nc3ccc4nccn4n3)C2)c1F 573877945 GHKYFFUVTCFFFY-LLVKDONJSA-N 327.367 1.912 0 40 EDAB CCOc1ccc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)nc1 88495762 BBPYJAXDTVSGSY-UHFFFAOYSA-N 343.431 1.608 0 40 EDAB CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(C)cn3)CC[C@@H]21 96185703 NRUWIIGTSPUKPK-IKGGRYGDSA-N 340.431 1.497 0 40 EDAB Cc1cnn(CCCNC(=O)CNC(=O)c2cc3ccccc3[nH]2)c1 96430812 RMQMOQOOHFZTHT-UHFFFAOYSA-N 339.399 1.609 0 40 EDAB O=C([C@H]1CCCO1)N1CCO[C@@H]2C[C@@H](COCc3ccccn3)C[C@H]21 96082936 IMMXWZYWYJJFHR-DZOHQFGASA-N 346.427 1.783 0 40 EDAB CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@@H]21 96043462 NBEFGKALLGHCJE-RBSFLKMASA-N 332.400 1.388 0 40 EDAB Cc1cc(C)cc(-c2cc(NC(=O)[C@]3(C)CCC(=O)NC3)n[nH]2)c1 580467702 FGQJYIVOMVDKGG-GOSISDBHSA-N 326.400 2.548 0 40 EDAB Cc1noc(C)c1CN1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 96239193 CIIIFVSMZJJERH-KRWDZBQOSA-N 327.388 1.710 0 40 EDAB CS(=O)(=O)Cc1cc(F)ccc1NCC(=O)NCc1ccco1 96470258 NXSSFFGFEWQKPU-UHFFFAOYSA-N 340.376 1.692 0 40 EDAB Cc1cccc(N2C[C@@]3(CCN(S(=O)(=O)C4CC4)C3)CC2=O)c1 96077406 RLDAKDOMGBBJBW-KRWDZBQOSA-N 334.441 1.916 0 40 EDAB O=C(N[C@H]1CCCn2ncnc21)N1CCO[C@H](Cc2ccccc2)C1 96494021 SRMFQPZMTTVIFZ-CVEARBPZSA-N 341.415 1.766 0 40 EDAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccoc3)C[C@H]12)c1ccno1 96056285 DGJUGKKWLKMVSP-OFQRWUPVSA-N 331.372 1.535 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ccncn2)C1 96244441 QCKZWRCOSBJKOT-KRWDZBQOSA-N 326.404 1.319 0 40 EDAB O=C(NCc1ccco1)[C@H]1CO[C@@H]2CN(Cc3nccs3)C[C@@H]21 96219449 KHDHOYXCDGLHIB-HZSPNIEDSA-N 333.413 1.499 0 40 EDAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)NC[C@](C)(O)CN1CCOCC1 96450067 DUDGJJZDPGTZSE-AOIWGVFYSA-N 332.444 1.298 0 40 EDAB C[C@@H]1C[C@@H](NC(=O)NCCCn2cccn2)C(=O)N1c1ccccc1 96439188 AAUFBOUWTBZUSR-GDBMZVCRSA-N 341.415 1.766 0 40 EDAB O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(Cc3nccs3)C[C@@H]12 96038612 OFDAGXMKRRHHQZ-BPLDGKMQSA-N 347.440 1.747 0 40 EDAB CN(C)C(=O)CO[C@@H]1COC2(CCN(Cc3cccnc3)CC2)C1 96047835 JYLFCCDEUQRJFC-INIZCTEOSA-N 333.432 1.310 0 40 EDAB CCN(CC)c1ccc2ccc(C(=O)NCCN3CCOCC3)cn12 96264127 KTIBPUSELGYQGB-UHFFFAOYSA-N 344.459 1.848 0 40 EDAB CN(CC(=O)N1CCCN(c2nccs2)CC1)[C@@H]1CCSC1 96486511 NZFLNKFJCNCZMN-CYBMUJFWSA-N 340.518 1.619 0 40 EDAB O=C1N(c2cncnc2)CCC12CCN(c1ncc(F)cn1)CC2 96062950 FGMGFADNFTURDJ-UHFFFAOYSA-N 328.351 1.429 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1nc(C2CC2)no1 97212688 LHCWGHNYLQNBRH-VIFPVBQESA-N 332.408 1.728 0 40 EDAB CCCC[C@@H](NC(=O)c1cc(Cl)cn1C)[C@@H](O)C(=O)NC1CC1 585079791 PGWCGKXKSBKBLY-TZMCWYRMSA-N 341.839 1.607 0 40 EDAB O=C(c1ccoc1)N1CCC[C@]2(COCCN(c3cnccn3)C2)C1 96049648 SLSWWFZJGZHHAQ-GOSISDBHSA-N 342.399 1.829 0 40 EDAB O=C(c1ccncn1)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 247846220 HDTPQLUAWGFGMH-AWEZNQCLSA-N 342.424 1.789 0 40 EDAB O=S(=O)(NC[C@@H]1CO[C@@H]2CN(Cc3cccs3)C[C@@H]21)C1CC1 245482270 AZSYIHZFVGJUQK-KCPJHIHWSA-N 342.486 1.277 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230708 XEZKCNMSNGAXPL-IPJQOSJUSA-N 334.347 1.023 0 40 EDAB COc1ccc(CN2CC3(C2)OCC[C@@H]3COCC(=O)N(C)C)cc1 247975077 IGZOQELBRUXJAL-MRXNPFEDSA-N 348.443 1.391 0 40 EDAB O=C(c1ccnnc1)N1CC2(C1)OCC[C@H]2COc1ncccc1F 247857301 KZEQRIPKCMIUKC-ZDUSSCGKSA-N 344.346 1.321 0 40 EDAB CC(=O)N1CCN(Cc2cccc(F)c2F)C[C@@H](C(=O)N(C)C)C1 257212900 CFJUTCPULLDYQG-CQSZACIVSA-N 339.386 1.333 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C(C)=O)CCN2Cc2c[nH]cn2)c1 257261679 LIJUAQRZJOECDA-QGZVFWFLSA-N 341.415 1.175 0 40 EDAB CC[S@@](C)(=O)=NS(=O)(=O)NC[C@H](Cc1ccccc1)N(C)C 585115384 YIONEZTWHKHDMY-LHSJRXKWSA-N 347.506 1.111 0 40 EDAB CC[C@@](C)(O)CNC(=O)c1c(I)n[nH]c1C 585131876 IURLIFAMWZDNTO-SNVBAGLBSA-N 337.161 1.214 0 40 EDAB Cc1nc2ccc(N(C)C[C@H](O)COCc3ccccc3)nn2n1 252481377 CKFHGUSWFRJOTP-HNNXBMFYSA-N 327.388 1.447 0 40 EDAB Nc1nc(N)c2c(n1)O[C@]1(CCCN(Cc3cccc(O)c3)CC1)C2 257211060 BXIXYDPKHHAVCR-SFHVURJKSA-N 341.415 1.706 0 40 EDAB COCC(=O)N1CCC[C@]1(CCCc1cccnc1)C(=O)N(C)C 257222818 DUUIWBHVRSLTIK-GOSISDBHSA-N 333.432 1.500 0 40 EDAB CNc1cc([C@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)ccn1 257250412 JMKIBEISBROJLU-AWEZNQCLSA-N 349.460 1.734 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3cccc(O)n3)CCN2C)cc1 257322684 WGYSXRYLNVVGGP-MRXNPFEDSA-N 327.384 1.925 0 40 EDAB COC(C)(C)C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(N)=O)C1 257247121 IXPDFHOJOIXIGG-ZFWWWQNUSA-N 334.416 1.583 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1 253493666 UXUGPZXRLAWBHC-ZDUSSCGKSA-N 341.433 1.076 0 40 EDAB O=C(NCCNc1ccccn1)N[C@H]1CCCN(c2ncccn2)C1 43783550 GYDZZJIPZLTURF-AWEZNQCLSA-N 341.419 1.252 0 40 EDAB COCCOC[C@@H]1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)C1 266443149 UVUFQKPEFSBWRC-CKEIUWERSA-N 335.400 1.726 0 40 EDAB COc1ccc(CCNC(=O)N2CCN(C[C@@H](O)C3CC3)CC2)cc1 85466794 IXTCVWYFHPNTEM-GOSISDBHSA-N 347.459 1.336 0 40 EDAB C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 85467193 KNDRVRIYHFJTKH-SNVBAGLBSA-N 336.816 1.166 0 40 EDAB Cc1c(C(=O)N2CCNC[C@@](C)(F)C2)sc2ncn(C)c(=O)c12 1615046703 PKDYFDHCCOILBF-OAHLLOKOSA-N 338.408 1.077 0 40 EDAB COc1c[nH]c(C(=O)N[C@H](c2ccccc2)c2nccn2C)cc1=O 604418840 JSSORBHBYXWHNI-MRXNPFEDSA-N 338.367 1.636 0 40 EDAB CCN(C(=S)Nc1ccc(C)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O 575419972 BYRNCQKRWQBMCI-CHWSQXEVSA-N 328.459 1.172 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585275635 HOMOTYSBKYNIQF-KRWDZBQOSA-N 331.347 1.062 0 40 EDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)CCn3ccnc3)CCO2)cc1 585277986 OJRKTRWIDMAGQE-IBGZPJMESA-N 343.427 1.414 0 40 EDAB O=C1C[C@H](C(=O)N2CCO[C@H]3CCCC[C@@H]32)CN1Cc1ccccn1 55422522 HMOYBIAQCMKDQG-XIRDDKMYSA-N 343.427 1.600 0 40 EDAB Cc1ccc(C(=O)NC2CC2)cc1NCC(=O)NCC(F)(F)F 55858550 NRQRWUGPBZLPBI-UHFFFAOYSA-N 329.322 1.978 0 40 EDAB O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCO[C@@H]2CCC[C@H]21 56194964 JNOLQNCHGDWGLO-HZPDHXFCSA-N 343.358 1.765 0 40 EDAB C[C@H](C(=O)Nc1nccs1)N1CCC(CN2CCOCC2)CC1 69029140 RIDKVMAYVBOKAJ-CYBMUJFWSA-N 338.477 1.514 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)N(C)CC(F)F)c1 71803192 RZCRYWAGUNJLNO-UHFFFAOYSA-N 335.376 1.142 0 40 EDAB COCCCN(Cc1ccnc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 78776764 IXUXXYXLYROETF-CYBMUJFWSA-N 332.853 1.761 0 40 EDAB CCc1cnc(CN(C(C)=O)[C@H]2CCN(CC(=O)N3CCCC3)C2)o1 83827815 CXJOIVLSSZGTMD-HNNXBMFYSA-N 348.447 1.282 0 40 EDAB Cc1nc(C)c(CCC(=O)N[C@H]2c3ccccc3C[C@H]2O)c(=O)[nH]1 89510579 OPYARXXOOUJYQF-WBVHZDCISA-N 327.384 1.094 0 40 EDAB Cn1cc(NC(=O)C(=O)NCC2(c3ccc(F)cc3F)CC2)cn1 95446043 NXKNTHPQCBIBLF-UHFFFAOYSA-N 334.326 1.485 0 40 EDAB COCC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 172343604 JGAZBPRPAUAKTJ-CQSZACIVSA-N 348.321 1.548 0 40 EDAB O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1n[nH]c2ccccc12 225802116 WTYHKQFQBHFDQP-UHFFFAOYSA-N 336.311 1.231 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2 1615545355 FUYYBNIFLLLGOP-ZIAGYGMSSA-N 330.354 1.238 0 40 EDAB CN1C(=O)C(Br)=C(Br)[C@@]1(O)c1cccnc1 13209173 KTXPVEPIXXSNIM-JTQLQIEISA-N 347.994 1.700 0 40 EDAB CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16610186 LEOZCORSLNWOKL-JTQLQIEISA-N 348.852 1.884 0 40 EDAB Cc1nc2c(nc(SCC(=O)Nc3cccc(F)c3)n2C)c(=O)[nH]1 19625849 IDEUREXSPXSIDP-UHFFFAOYSA-N 347.375 1.835 0 40 EDAB biogenic,in-vitro CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(C)=O)C1 19703421 VBTRGGLEEKYXLF-SFHVURJKSA-N 327.384 1.869 0 40 EDAB Cc1c(CN2CCC[C@@H](NC(=O)c3cnccn3)CC2)cnn1C 19745554 ATEAFWUYGHWVAS-OAHLLOKOSA-N 328.420 1.303 0 40 EDAB COC(=O)CN1C(=O)/C(=C/c2cc(C)c(OC)cc2C)N(C)C1=S 8334011 IAHBLZHYTOFBHX-JYRVWZFOSA-N 348.424 1.885 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2cc(Cl)ccc2Cl)[C@@H]1O 643586269 ROMOPFFVGVYJEW-UPJWGTAASA-N 334.199 1.840 0 40 EDAB CC(C)n1cnc(S(=O)(=O)NCCc2cccc(C(=O)O)n2)c1 542858722 ORBHGSZIPHZNLX-UHFFFAOYSA-N 338.389 1.078 0 40 EDAB COCCN1C(=O)CN(C2CCN(Cc3ccccc3C)CC2)C1=O 244909809 AWMBXSVOPQYJSM-UHFFFAOYSA-N 345.443 1.870 0 40 EDAB CC(C)[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)NC(N)=O 3435202 YIKWDEDBUNSBOG-YFKPBYRVSA-N 325.316 1.146 0 40 EDAB Cc1c[nH]nc1C(=O)NCC[C@@H]1CCN(c2ncnc3[nH]cnc23)C1 1102331113 QGJCWCFITGEHFZ-LLVKDONJSA-N 340.391 1.031 0 40 EDAB CCc1nc(N2C[C@H]3CN(C(=O)C4CCC4)C[C@H]3C2)nc(O)c1F 1888850288 LDNMPUSYAYNFAX-TXEJJXNPSA-N 334.395 1.578 0 40 EDAB O=C(NC[C@H]1CCCO1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888852960 ALOXVCIBFNMHJK-CYBMUJFWSA-N 340.811 1.862 0 40 EDAB CCN=c1nc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc[nH]1 1888860269 JTYRBAYRYOIUHR-UHFFFAOYSA-N 325.420 1.324 0 40 EDAB O=C(COC(=O)c1cncn1-c1ccc(F)cc1)NCC(F)(F)F 23266230 YVGXOZKVBXIOBO-UHFFFAOYSA-N 345.252 1.847 0 40 EDAB Cn1nccc1C(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037905540 BLMBGFXDXJEZDI-KRWDZBQOSA-N 333.363 1.605 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(c2ccncc2Br)C1 682239842 ZKQQERZCFNFUKT-VIFPVBQESA-N 334.239 1.362 0 40 EDAB OC1(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)CCCCC1 2087123632 WCTVNAQJGJPRAD-UHFFFAOYSA-N 342.447 1.480 0 40 EDAB COCCN1C[C@@H]2CN(C(=O)c3ccc(COC)cc3)C[C@@H]2C1=O 1565554406 ZEBYAQLIGHUEQQ-CVEARBPZSA-N 332.400 1.010 0 40 EDAB Cc1cc(CN2CC[C@H]3[C@H](CC(=O)N4CCCCC4)OC[C@H]3C2)n[nH]1 1565549823 FRCVLESKYOPULH-NXHRZFHOSA-N 346.475 1.958 0 40 EDAB O=C(NCc1nnnn1C1CCCCC1)c1ccc2c(c1)OCO2 10594163 SYAFPCOUWVTURE-UHFFFAOYSA-N 329.360 1.837 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CC(COc2cccnc2)C1 1775972236 DRHGICDZTGYXJD-UHFFFAOYSA-N 339.351 1.527 0 40 EDAB Cc1cc(O[C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)cc(=O)o1 206963520 NYQOXCBMHPZOIM-ZDUSSCGKSA-N 343.335 1.970 0 40 EDAB COc1nc(CNC(=O)Cc2c[nH]c3ccccc23)nc(N(C)C)n1 575606354 HPYLBFSMFKLOHX-UHFFFAOYSA-N 340.387 1.286 0 40 EDAB O[C@@H]1CCCC[C@H]1N1CCN(c2ccnc(N3CCCC3)n2)CC1 2298178388 NUJRISJAOLRILQ-HZPDHXFCSA-N 331.464 1.502 0 40 EDAB C[C@@H](O)CN[C@@H](CC(=O)Nc1c(Cl)cccc1Cl)C(=O)O 5258290 BIIAVDUTJUQMEI-XCBNKYQSSA-N 335.187 1.746 0 40 EDAB NC(=O)Cc1csc(NC(=O)COc2ccc3c(c2)C(=O)CC3)n1 36708228 JOBNNSFHCYWHAW-UHFFFAOYSA-N 345.380 1.317 0 40 EDAB CC(C)[C@H](CNC(=O)c1cnn(-c2ccccc2)n1)N1CCOCC1 40047076 AWXGQQBSDQJCOH-KRWDZBQOSA-N 343.431 1.354 0 40 EDAB CCN(CC(=O)NC)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 30436417 BGUABBXEZHFXOZ-UHFFFAOYSA-N 340.323 1.342 0 40 EDAB CCCN1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1 40159481 ZYLLVIJCXCGOBP-GOSISDBHSA-N 343.471 1.632 0 40 EDAB Cc1cc(=O)c(C(=O)NCC(C)(C)N(C)C)nn1-c1ccccc1F 40467621 HWJVORHWCDXHRN-UHFFFAOYSA-N 346.406 1.750 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)N2CCCCCC2)cc1 40476309 XMRSGJFXXNKKEQ-UHFFFAOYSA-N 325.434 1.462 0 40 EDAB Cc1ccc(C[C@H]2CCCN(C(=O)CCNS(C)(=O)=O)C2)cc1 50769899 AEVYXDBLKKYEFI-MRXNPFEDSA-N 338.473 1.715 0 40 EDAB CC(C)c1noc(CCC(=O)Nc2ccc(N3CCOCC3)nc2)n1 31537589 DLTGUAQAZASMGX-UHFFFAOYSA-N 345.403 1.996 0 40 EDAB Cc1csc(S(=O)(=O)CC(=O)N2CCC(c3ccccc3)=N2)n1 40555233 RTZBTKFMJZPTCQ-UHFFFAOYSA-N 349.437 1.862 0 40 EDAB O=C1COc2ccccc2N1CCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 40553901 YBXRFQOXMNZHQV-GOEBONIOSA-N 344.411 1.972 0 40 EDAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 51160907 DQOHDJXZZSUITF-ZNMIVQPWSA-N 345.509 1.447 0 40 EDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCCC3)cc(C3CC3)nc21 32031810 CMNCDYOWRNRXDD-UHFFFAOYSA-N 342.399 1.608 0 40 EDAB CCN1C[C@@H](C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1=O 32294570 GYMZBPUKTSHUPT-NSHDSACASA-N 345.321 1.507 0 40 EDAB Cc1ccc(C)c(N(CC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)c1 308898 XBLGSMSRWDUWAJ-AWEZNQCLSA-N 340.445 1.365 0 40 EDAB COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 357496 ZKLCFCPRFDXQOG-UHFFFAOYSA-N 340.401 1.363 0 40 EDAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CNC(=O)C1CCCCC1 8314986 AENFDNDIKQAAAX-UHFFFAOYSA-N 349.406 1.919 0 40 EDAB NC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 46238107 SWVFQEUXLZXZMA-WMLDXEAASA-N 337.379 1.382 0 40 EDAB O=c1c2ccccc2nnn1Cc1cc(=O)n2cc(Cl)ccc2n1 29876775 IFWZKJZQDDDEHX-UHFFFAOYSA-N 339.742 1.501 0 40 EDAB CC(=O)N1CCN([C@H]2CN(CCOc3ccccc3)C[C@H]2C)CC1 76055704 QWFGWZJIPCRYDN-APWZRJJASA-N 331.460 1.550 0 40 EDAB COC(=O)CNC(=O)CCN1C[C@H](c2ccccc2)OCC1(C)C 78640523 LSVCNZCXRBHSRK-OAHLLOKOSA-N 334.416 1.518 0 40 EDAB C[C@@H](C(N)=O)N1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 78878309 KHFYCPMHRGELTB-LBPRGKRZSA-N 344.390 1.452 0 40 EDAB C[C@H](O)[C@H](C)S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2)c1 78833391 RXMAGKPZOYHHFH-KBPBESRZSA-N 339.457 1.997 0 40 EDAB CC(C)n1ccc(CC(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)n1 78901715 TYTXHFRXXDFMSE-GFCCVEGCSA-N 344.419 1.235 0 40 EDAB Cc1cc([C@@H](C)NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c(C)o1 78915933 KNWJKPBPTCMJKU-GFCCVEGCSA-N 345.403 1.749 0 40 EDAB CC(C)c1ocnc1C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 78901562 JQLPRYSCLBVCOG-SNVBAGLBSA-N 331.376 1.640 0 40 EDAB CN1C(=O)N(CC(=O)Nc2ccccc2O)C(=O)C12CCCCC2 21866450 BVOSJPUJFXVLGO-UHFFFAOYSA-N 331.372 1.928 0 40 EDAB Cc1cc(NC(=O)CN2CC[C@H](N(C)Cc3ncc(C)o3)C2)n(C)n1 84101851 LPPZMSWDYSLXAL-AWEZNQCLSA-N 346.435 1.170 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)C1 84136525 VCUVDAQBNFJZBG-NEPJUHHUSA-N 333.392 1.401 0 40 EDAB Cc1cc(Br)ccc1CC(=O)N(C)CC(C)(CO)CO 97079729 CADPYEFZFIMMPO-UHFFFAOYSA-N 344.249 1.749 0 40 EDAB CN1CCN([C@H](c2ccccc2)c2sc3ncnn3c2O)CC1 22031125 KWKHYUBTCFYNHG-CYBMUJFWSA-N 329.429 1.833 0 40 EDAB O=C1COc2ccccc2N1CCC(=O)N(C[C@H]1CCOC1)C1CC1 46937313 RXYKRDXCSQURMN-CQSZACIVSA-N 344.411 1.830 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCCCN3CCC[C@H](C)C3)nc2n1 47110968 CDYAPNIUPYDXSY-LBPRGKRZSA-N 330.436 1.593 0 40 EDAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCCC2)C1=O 22492388 ONMWHAZXXFRRRA-GOSISDBHSA-N 345.399 1.475 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 61424021 VYXJEQVEVUMBGF-CQSZACIVSA-N 339.399 1.566 0 40 EDAB CCCCCS(=O)(=O)N1CCN(C(=O)C2[C@H]3CCC[C@H]23)CC1 104210624 BLSDTANSKHHAPZ-KBPBESRZSA-N 328.478 1.697 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@H]3C[C@H]3C)CC2)cc1 23041098 XTLSMZTYHKGTNQ-ZBFHGGJFSA-N 336.457 1.874 0 40 EDAB COc1ccc([C@H]2CC(=O)c3cn4nc(N)nc4nc3C2)cc1OC 18199099 YQLFMZGSHSMDLG-SNVBAGLBSA-N 339.355 1.636 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C[C@@H]2CCOC2)CC1 47717761 CLJZJFOALJUDCL-HNNXBMFYSA-N 345.509 1.150 0 40 EDAB Cc1ccc(-n2nnc(C(=O)N[C@@H](C(N)=O)c3ccccc3)c2C)cc1 55099381 FNNHQIKPSFQGBM-QGZVFWFLSA-N 349.394 1.841 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[C@@H](c2noc(C)n2)C1 72231747 ZIOFYICMCVDKBR-CMPLNLGQSA-N 329.422 1.297 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 106516678 DYYPIKUXJPXFEF-MJVIPROJSA-N 337.397 1.714 0 40 EDAB Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@H](C)C(=O)N(C)C)c1 106797126 HQUOMPWEVVHERL-NVXWUHKLSA-N 331.460 1.942 0 40 EDAB O=C1c2ccccc2C(=O)N1Oc1ccc2nnc(C(F)(F)F)n2n1 1427342 QEPGZDPCWRJYPP-UHFFFAOYSA-N 349.228 1.733 0 40 EDAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 106909622 RGVASCYNOBNVGL-BDXSIMOUSA-N 332.419 1.987 0 40 EDAB COC(=O)c1c(C)cccc1NCC(=O)NC(=O)NCc1ccco1 12549313 CZDOPQLHTLPDNT-UHFFFAOYSA-N 345.355 1.813 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1nnc2n1CCC2 69439386 RSSLQOWTNYJNTK-BZNIZROVSA-N 328.372 1.411 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N(C)CCOc1ccccc1F)C2 69483794 DXKJGGSVEYJHQB-UHFFFAOYSA-N 347.394 1.079 0 40 EDAB O=C(NC[C@H](O)c1c(F)cccc1F)C(=O)Nc1cccc(F)c1 72294314 ULQPHGTWZFRSBD-ZDUSSCGKSA-N 338.285 1.892 0 40 EDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 26990817 CPRNKPIKKOWROI-UWVGGRQHSA-N 346.836 1.498 0 40 EDAB COc1cccc(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)c1 22531005 SKQWHUXIXNJJMM-UHFFFAOYSA-N 340.445 1.862 0 40 EDAB CCNc1nnc(SC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)s1 58162454 XEXBLDRBVOWMDE-OUAUKWLOSA-N 332.495 1.532 0 40 EDAB CC1CCC(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)CC1 27625211 DFHKQBZLSHJJKY-UHFFFAOYSA-N 349.456 1.810 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Nc1cccc(Cl)c1OCCOC 58299383 LEHXAHGFSBQFOM-SECBINFHSA-N 329.784 1.621 0 40 EDAB O=C(NCCCn1nc2n(c1=O)CCCC2)c1cccc2[nH]ncc12 58215160 XXUNRHJFGNJWQA-UHFFFAOYSA-N 340.387 1.078 0 40 EDAB COc1ccc(-c2noc(=O)n2CC(=O)N(C)C(C)C)cc1OC 58289698 QUJSWEXJKKWBRF-UHFFFAOYSA-N 335.360 1.387 0 40 EDAB CCOc1ccc(NC(=O)CNC(=O)c2snnc2CC)cc1 58281802 NORHQDGQFONHMR-UHFFFAOYSA-N 334.401 1.868 0 40 EDAB O=C1[C@H]2CCCN2C(=O)N1CCN1CCN(c2ccccc2)CC1 53112855 NXSUCTUNEDZLOO-MRXNPFEDSA-N 328.416 1.235 0 40 EDAB COc1cc2oc(=O)c(CC(=O)NCC(=O)O)c(C)c2cc1Cl 2117638 GHDJOENZXKNYSS-UHFFFAOYSA-N 339.731 1.507 0 40 EDAB biogenic Cc1nn(-c2ccccc2)nc1C(=O)N[C@H]1CCN2CCCC[C@H]12 44941806 NGPLKHOEWNGHSI-JKSUJKDBSA-N 325.416 1.932 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2COc3ccccc3C2)C1 44934789 PEQSWQHHCXBHRZ-GJZGRUSLSA-N 326.400 1.772 0 40 EDAB CCONC(=O)CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 45013393 KUTRQGAAHVAOAN-GOSISDBHSA-N 345.399 1.833 0 40 EDAB COc1c(CNCc2cccnc2-n2cncn2)c(C(C)C)nn1C 58416321 SLHUPGXORJSAJI-UHFFFAOYSA-N 341.419 1.818 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 58415511 ORSLFWDDUSSMKZ-MRXNPFEDSA-N 349.862 1.823 0 40 EDAB C/C=C/Cn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3)n(C)c1=O 10356816 SRBDHKAFWZNUFW-VOTSOKGWSA-N 330.392 1.300 0 40 EDAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)c1cccnc1-n1cncn1 48237549 FMJOCRMYWCDICR-UHFFFAOYSA-N 345.366 1.982 0 40 EDAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 3336622 YUPDVOXMPZOSGZ-UHFFFAOYSA-N 339.303 1.868 0 40 EDAB CCc1nnc(SCc2nnc3n(C)c(=O)c4ccccc4n23)[nH]1 11716166 RVDMDPJWBQIKCO-UHFFFAOYSA-N 341.400 1.554 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCCC(=O)OC(C)C)c1 48366527 YAFBEUOPNZUSCZ-UHFFFAOYSA-N 329.374 1.093 0 40 EDAB O=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc(Cl)cn1 3427223 AISFLIZIYZNEAT-UHFFFAOYSA-N 337.719 1.240 0 40 EDAB CCN(C)[C@@H](C(=O)Nc1cnn(CC(=O)NC)c1)c1ccccc1 69536442 JNNSUMDCHNAKMN-MRXNPFEDSA-N 329.404 1.261 0 40 EDAB C[C@H](Sc1nc2c3ccccc3ncn2n1)C(=O)N1CCOCC1 12907677 KRLPAFMUXOVXPD-NSHDSACASA-N 343.412 1.617 0 40 EDAB C[C@@H](N[C@@H]1CCc2ncnn2C1)C(=O)N1CCc2sccc2C1 69535550 NFMIWXOSJFXQQW-DGCLKSJQSA-N 331.445 1.217 0 40 EDAB Cc1cccc(/C=C/C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 69519162 UHCYMHLJGCASAW-DVBCCOPCSA-N 341.455 1.949 0 40 EDAB Cc1cc(C(=O)O)cc(S(=O)(=O)NCCN2CCCC2)c1C 13093525 WFXOWFYPXMNVNJ-UHFFFAOYSA-N 326.418 1.376 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)ccc1-n1cnnn1 69655267 CTXQWMMTVDVPNB-IRXDYDNUSA-N 340.431 1.670 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)Nc2nc(C(=O)OC)n[nH]2)cc1 69668751 LOWSEOJHKZTLJS-VMPITWQZSA-N 330.300 1.030 0 40 EDAB COC(=O)c1cc(F)ccc1CSc1nc2[nH]ncc2c(=O)[nH]1 69618664 JSLJPFMIYLKJNR-UHFFFAOYSA-N 334.332 1.864 0 40 EDAB Cn1c(Cl)cnc1CN1CCCN(C(=O)C[C@H]2CCCO2)CC1 69663258 QAQSFQHTAIOHFC-CYBMUJFWSA-N 340.855 1.677 0 40 EDAB COc1ccc(-n2nnn(CN3C[C@H](C)O[C@H](C)C3)c2=S)cc1 13526812 UKCZURHKUIXYQX-TXEJJXNPSA-N 335.433 1.874 0 40 EDAB CCN(C)c1cccc(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)c1 69812090 BBQARNZHRKMLMY-UHFFFAOYSA-N 347.440 1.971 0 40 EDAB CN(Cc1cccs1)C(=O)CN1CCC[C@H](Cn2cncn2)C1 69808030 FOCAWLMAFDFKRS-AWEZNQCLSA-N 333.461 1.710 0 40 EDAB COCCOCC(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1 69870814 ATIFGWIEFKAHOC-INIZCTEOSA-N 337.416 1.924 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)c1ccc2c(c1)OCCO2 5292910 YDBHTVNTTBJURD-UHFFFAOYSA-N 330.340 1.505 0 40 EDAB O=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1CN(Cc1ccco1)CN2 5353969 BBQQVGSADVSFEN-UHFFFAOYSA-N 342.330 1.643 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)CC(=O)NC(C)(C)C)C2=O 14142023 DKVRXQUPNLBYLO-YVEFUNNKSA-N 338.452 1.291 0 40 EDAB COc1cc(OC)c(C2=NO[C@@H]3[C@@H](OC)O[C@@H](OC)[C@@H]23)c(OC)c1 4666890 ZCDCZGUJYGSULM-HNKHHVNMSA-N 339.344 1.407 0 40 EDAB COc1cccc(CNC(=O)COc2cccc(-n3cnnn3)c2)c1 5672676 KVRJGXPOPWECEH-UHFFFAOYSA-N 339.355 1.366 0 40 EDAB C[C@@H](Sc1nnc(N)s1)C(=O)NC(=O)NC1CCCCC1 5636621 OSHBVTDRGVFTGC-SSDOTTSWSA-N 329.451 1.759 0 40 EDAB COc1ccc(CC(=O)N2CSC[C@H]2C(=O)N(C)C)cc1OC 66657621 NMFSKMIGPODXOS-LBPRGKRZSA-N 338.429 1.236 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)NC[C@H]1CCN(C2CC2)C1 66620790 SQSXRXUKTHFTFJ-LLVKDONJSA-N 337.370 1.295 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 67139644 QBIKWDUDTDGDDN-ZDUSSCGKSA-N 341.452 1.759 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(Cn2cncn2)c1 68546253 XTHDYPOKQNLGNF-QWHCGFSZSA-N 344.419 1.751 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(Cl)c2)CC1 7848508 BFDZVPWJQSDUDC-GFCCVEGCSA-N 342.848 1.423 0 40 EDAB CC(C)(C)NC(=O)NC(=O)Cn1c(=O)oc2cc(Cl)ccc21 7866599 OHPSEXQOQMEWJY-UHFFFAOYSA-N 325.752 1.872 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2n1 68644467 ZARJPCLQEWVRJV-UHFFFAOYSA-N 339.355 1.229 0 40 EDAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(C(C)(C)C)C1=O 9111290 IGAMJHUAGOIQOJ-SFHVURJKSA-N 329.400 1.851 0 40 EDAB CN1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(F)cc1)C2=O 8113722 MBNWCPOJCHPYSB-UHFFFAOYSA-N 334.395 1.231 0 40 EDAB NC(=O)c1cc(OC2CCN(C[C@@H](O)c3ccccc3)CC2)ccn1 93261212 RLRMBTKRJSXOFO-GOSISDBHSA-N 341.411 1.757 0 40 EDAB Cc1ccc(NC(=O)CCNC(=O)N(C)Cc2ccncc2)nc1 70014186 HZLKVXBXEYWAAJ-UHFFFAOYSA-N 327.388 1.955 0 40 EDAB Cc1nc(NC(=O)[C@@H](C)N2CCO[C@H](Cn3cccn3)C2)sc1C 69391726 GINJOJBTZXKKTJ-OCCSQVGLSA-N 349.460 1.684 0 40 EDAB CCN1C[C@@H](C(=O)Nc2ccccc2OCCn2ccnc2)CC1=O 69350935 HQSZANHYLFOQCQ-AWEZNQCLSA-N 342.399 1.769 0 40 EDAB NS(=O)(=O)c1cnn(CCC(=O)Nc2ccc(Cl)c(F)c2)c1 69388785 WQTZLLVOXDTUCG-UHFFFAOYSA-N 346.771 1.352 0 40 EDAB O=C1c2ccccc2C(=O)N1Cc1nn2c(C3CC3)nnc2s1 19689561 POXNFLHUGQMPQN-UHFFFAOYSA-N 325.353 1.859 0 40 EDAB CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2c(F)cccc2Cl)C1 97147203 IZMMRYWCGLCTLY-LLVKDONJSA-N 348.827 1.968 0 40 EDAB COc1ccc(-n2nnc(C(=O)NCCc3ccccc3)c2N)cc1 9576781 LHTFUUUYTMJHGE-UHFFFAOYSA-N 337.383 1.831 0 40 EDAB O=C(NCCc1ccc(O)cc1)[C@@H]1CCCN(c2ncccn2)C1 9577227 BQOCEMZPWDVXTD-OAHLLOKOSA-N 326.400 1.758 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H](O)C1)N1CCN(c2ccc(F)cc2)CC1 71897835 IDRXRLNFZQYVSJ-WMLDXEAASA-N 335.423 1.320 0 40 EDAB C[C@@H](NC(N)=O)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 71886484 UABPHQGKMUJUSP-CJNGLKHVSA-N 327.384 1.980 0 40 EDAB CN(C)C(=O)CCN1CCCN(CCC(=O)N(C)C)c2ccccc21 71912093 HYBUUIKGHJYSCT-UHFFFAOYSA-N 346.475 1.660 0 40 EDAB C[C@H](NCc1cnc(N2CCN(C)CC2)nc1)C(=O)OC1CCCC1 97228136 OMDCZXNIGBJVPT-AWEZNQCLSA-N 347.463 1.192 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC2=CCCC2)CC1 95435281 GISLEXRNOQGVOI-CQSZACIVSA-N 334.464 1.481 0 40 EDAB CC(C)Oc1ccc(CNC[C@H](Cc2cnn(C)c2)C(N)=O)cc1 95467217 CEKGDURUUKEDGY-INIZCTEOSA-N 330.432 1.641 0 40 EDAB Cc1nc(N(C)C)sc1C(=O)N1CCCN(c2cccnn2)CC1 95453132 AVVKZLYXJIDZKJ-UHFFFAOYSA-N 346.460 1.660 0 40 EDAB OC[C@@H]1CCCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)C1 95947956 QSEHSEVKGUXPBI-CQSZACIVSA-N 332.452 1.281 0 40 EDAB Cn1cc(C[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C2)cn1 95963001 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YQRMJIMVFMBNMF-UHFFFAOYSA-N 330.388 1.894 0 40 EDAB Cc1csc(Nc2nccnc2C2CCN(CC(N)=O)CC2)n1 72367870 AHCOGLIBLQXZKX-UHFFFAOYSA-N 332.433 1.650 0 40 EDAB COC(=O)c1ccc2oc(=O)n(CC(=O)c3ccc(O)cc3)c2c1 36646333 WGWQYVMMWYQJTE-UHFFFAOYSA-N 327.292 1.970 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCC3 36370049 XERVZMDAPXYAKM-KRWDZBQOSA-N 349.390 1.806 0 40 EDAB biogenic Cc1cccc(NC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)c1 78556418 LNFLGWBAHVABGS-UHFFFAOYSA-N 329.400 1.547 0 40 EDAB CN(C)CCCNC(=O)C(=O)Nc1cccc(Br)c1 42645753 PBNYSTZNKDMMKF-UHFFFAOYSA-N 328.210 1.456 0 40 EDAB COC(=O)c1ccc(CNC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1 61396652 BIFUAKUPXXHLRX-UHFFFAOYSA-N 341.323 1.541 0 40 EDAB O=C(O)c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(=O)c1CN1CCCC1 222664935 HVEYWGCTARIWTP-UHFFFAOYSA-N 349.774 1.473 0 40 EDAB COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2COCCN2C)c1 328937402 CWZCUBCVWDXPEG-ROUUACIJSA-N 348.443 1.533 0 40 EDAB Cc1csc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)n1 223300869 FKVUUQSSYDWJGW-UHFFFAOYSA-N 327.387 1.116 0 40 EDAB C[C@@]1(C(=O)NCCCn2cccn2)Oc2ccc(Cl)cc2NC1=O 41548836 BIINUEODLNVBGH-INIZCTEOSA-N 348.790 1.833 0 40 EDAB Cc1cc(O)cc(=O)n1CCCC(=O)NCC(=O)c1ccccc1 96113916 LICWMAXOAJGLLW-UHFFFAOYSA-N 328.368 1.642 0 40 EDAB biogenic COCCN1CCOC[C@]2(CCCN(C(=O)c3cccnc3)C2)C1 96076293 AFDOHLKAAPIYJR-GOSISDBHSA-N 333.432 1.283 0 40 EDAB CO[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)C[C@@H]1Cc1ccccc1 96110485 RMEPEBMRRHMDQP-HOTGVXAUSA-N 349.456 1.688 0 40 EDAB COC[C@@H]1c2c(cnn2C)CCN1S(=O)(=O)c1cccc(C)c1 96197716 GABBYBHWLRQBJZ-OAHLLOKOSA-N 335.429 1.663 0 40 EDAB CCN(CCCNC(=O)c1cc2cccc(F)c2o1)S(C)(=O)=O 96426272 VAHBDCWDZMYZAX-UHFFFAOYSA-N 342.392 1.973 0 40 EDAB c1cncc(CN2CCOC[C@]3(CC[C@H](CN4CCCC4)O3)C2)c1 96052343 FZTUUTIRZIHIFQ-MOPGFXCFSA-N 331.460 1.927 0 40 EDAB O=C([C@@H]1COc2ccccc21)N1CCN(c2cc(Cl)ncn2)CC1 96449810 PSABHUCAYWAHRA-CYBMUJFWSA-N 344.802 1.955 0 40 EDAB O=C(Cc1ccccn1)N1Cc2cncn2C[C@H](COCC2CC2)C1 96208040 YRLRTQLVTBEPIK-MRXNPFEDSA-N 340.427 1.906 0 40 EDAB O=C(N[C@@H]1CCc2c(ccc(=O)n2Cc2ccncc2)C1)c1ccc[nH]1 96100542 BFVVAHVKFSTUKK-MRXNPFEDSA-N 348.406 1.907 0 40 EDAB CCc1ccc([C@H](C)NCCS(=O)(=O)N2CCSCC2)o1 96477318 XFTKASNWGXNLMQ-LBPRGKRZSA-N 332.491 1.871 0 40 EDAB Cn1ccnc1CN1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 96239681 RLDDBOSNDXKAFF-INIZCTEOSA-N 348.401 1.948 0 40 EDAB Cc1ccc(C(=O)N2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)o1 96240827 OSJHIKOYHHIUMI-OAHLLOKOSA-N 346.427 1.983 0 40 EDAB O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)[C@H]1CCCOC1 96466866 XBGNEXKLVQLGRI-IRXDYDNUSA-N 330.428 1.620 0 40 EDAB CC(C)[C@H](NC1CCOCC1)C(=O)N1CCCN(C(C)C)CC1 96436334 GMDATKUAWBSSLF-KRWDZBQOSA-N 325.497 1.722 0 40 EDAB CCc1cccc(OC[C@H](O)CN(C)[C@H]2CCS(=O)(=O)C2)c1 245283746 OODDJRODUQQROE-LSDHHAIUSA-N 327.446 1.108 0 40 EDAB COc1cc(N2Cc3ccnn3[C@@H](C(=O)NC3CCCC3)C2)ncn1 247879943 IRSFOLPGAHTIFT-CQSZACIVSA-N 342.403 1.302 0 40 EDAB O=C1NC(=O)/C(=C/N2N=C(c3ccc(F)cc3)C[C@H]2C(=O)O)S1 256028062 RBKMETKFTAYZOX-OYUORYAFSA-N 335.316 1.513 0 40 EDAB O=S(=O)(c1c(F)cccc1F)N1CCn2nc3c(c2C1)CCC3 253472089 IYSCNAHLMZLWAN-UHFFFAOYSA-N 339.367 1.855 0 40 EDAB CCn1nccc1-c1cc(C[C@H]2CCCN(S(C)(=O)=O)C2)ncn1 257241243 HXHIFICCJWIYNR-CYBMUJFWSA-N 349.460 1.574 0 40 EDAB CNCC(=O)N1CCC[C@](CCCc2ccncc2)(C(=O)N(C)C)C1 257227491 FPOFLSGOYRLEPN-IBGZPJMESA-N 346.475 1.321 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2ccnc(OCCOC)c2)CC1 253394114 AGJUYBCVTKMMJC-UHFFFAOYSA-N 337.376 1.021 0 40 EDAB NC(=O)[C@@]1(CCCc2cnccn2)CCCN(c2ncccn2)C1 257330160 XNDFDPGFXRHDGE-KRWDZBQOSA-N 326.404 1.361 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2cn(C)nc2C)C1 257210892 BWPATMZSVJHBSY-ZDUSSCGKSA-N 328.420 1.655 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)c2ccc(OC(C)C)cc2)CC[C@@H]1O 257208598 BMUPJSDTRIRGFM-IRXDYDNUSA-N 334.416 1.575 0 40 EDAB Cc1cc(O)nc([C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 257310459 UFDHPRIOXWJERE-MRXNPFEDSA-N 343.383 1.835 0 40 EDAB Cc1ccc(-n2cccc2)c(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)c1 585084966 GIFLESXEEVZTDK-ZWKOTPCHSA-N 325.412 1.941 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C2CCN(C(C)=O)CC2)n1 257250326 JMBWDLWUQMNWEB-GOSISDBHSA-N 345.447 1.261 0 40 EDAB C[C@@H]1NC(=O)[C@@H](C)N(C(=O)NCCCOCC(F)(F)F)[C@H]1C 585137578 HJYHNRTUNAAAJQ-LPEHRKFASA-N 325.331 1.262 0 40 EDAB Cc1c(C(=O)N2CC[C@H]3OCC(=O)N(C)[C@H]3C2)oc2ccc(F)cc12 257200216 ACMCFFIHUDSSIX-DZGCQCFKSA-N 346.358 1.952 0 40 EDAB O=C(O)[C@@H]1CC12CCN(C(=O)CN1Cc3ccccc3C1=O)CC2 262458806 QJUAUBFZMSVLAZ-AWEZNQCLSA-N 328.368 1.356 0 40 EDAB CC(C)(C)CCS(=O)(=O)NCCc1cn([C@@H]2CCOC2)nn1 1615614763 REIJYWAIDRHFKL-CYBMUJFWSA-N 330.454 1.138 0 40 EDAB CN1CCN(c2ccc(NC(=O)c3ccc(C(=O)O)cn3)cn2)CC1 642215670 JSMJVGKJFPLVPU-UHFFFAOYSA-N 341.371 1.179 0 40 EDAB CCOc1ccc(CNC(=O)C(=O)NCCc2ccccn2)cc1 298079202 CISKFNIMOSVXCS-UHFFFAOYSA-N 327.384 1.455 0 40 EDAB O=C(O)Cn1cnc(NC(=O)C[C@@H]2OCc3cc(Cl)ccc32)n1 656194770 QNGNSPKRAQOQAH-NSHDSACASA-N 336.735 1.616 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 575403479 LXOXUIPUKSBRFO-CQSZACIVSA-N 340.383 1.572 0 40 EDAB CO[C@@H]1CN(CC(=O)N2CCOCC2)CC[C@@H]1Cc1ccccc1 585279875 RTUNHJCNOPNAMG-QZTJIDSGSA-N 332.444 1.425 0 40 EDAB COc1c(C)cccc1C(=O)N(CC(C)C)[C@@H]1COC[C@@H](O)[C@H]1O 585286985 QCELRCUATKMQTR-OAGGEKHMSA-N 337.416 1.222 0 40 EDAB Cc1ccc(CN2CC[C@@H](Oc3cccnc3)[C@H](CC(N)=O)C2)cn1 585269435 UHFHOLKHWODTDW-SJLPKXTDSA-N 340.427 1.930 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)N(C)Cc3cnn(C)c3)CC2=O)c(F)c1 44913636 WHSXNLAGJPWRMA-CQSZACIVSA-N 344.390 1.879 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(C(=O)NCCC(C)C)CC1 49030476 ACMVQBRVHSGVAP-UHFFFAOYSA-N 336.436 1.443 0 40 EDAB O=C(NCCC(=O)N1CCOCC1)c1cccnc1N1CCCCC1 56676954 XKXQUYUIARDNGC-UHFFFAOYSA-N 346.431 1.051 0 40 EDAB C[C@H](Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)C(=O)NC(N)=O 52117380 MERPZLXNPGLNTB-JTQLQIEISA-N 341.433 1.395 0 40 EDAB O=C1COc2ccc(S(=O)(=O)N[C@@H]3COc4ccccc43)cc2N1 58507092 VNNKRIYWSFRWTM-CYBMUJFWSA-N 346.364 1.430 0 40 EDAB O=C(Cc1c(F)cccc1Cl)N1CCN(C[C@H](O)C2CC2)CC1 85436695 HATVITGHIXNYNJ-INIZCTEOSA-N 340.826 1.937 0 40 EDAB C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 89904085 XLXZFSXOAFLKMQ-YPMHNXCESA-N 344.864 1.716 0 40 EDAB CCC(=O)NC1CCN(S(=O)(=O)[C@H]2C[C@H]2c2ccccc2)CC1 1616053178 DZAHDLCGSHWIEJ-HOTGVXAUSA-N 336.457 1.863 0 40 EDAB O=C1NC(=S)N/C1=C/c1cc2c(cc1Br)OCO2 176940 GGSHHULRLFPRPU-LREOWRDNSA-N 327.159 1.523 0 40 EDAB O=C1NC2=C(C(=O)N(CCN3CCCC3)C2)[C@@H](c2cccc(F)c2)N1 12113454 DLJZUKICSJUCHQ-MRXNPFEDSA-N 344.390 1.372 0 40 EDAB Cc1cc2c(cc3c(=O)n(CC(=O)N4CCCC4)nc(C)n32)s1 12115322 STQIYMBOJVCHGL-UHFFFAOYSA-N 330.413 1.950 0 40 EDAB Cc1nn(C)cc1CN1CCc2nc(-c3ccncc3)nc(O)c2C1 12121751 ILQRYVWMGXQDLY-UHFFFAOYSA-N 336.399 1.844 0 40 EDAB CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)CN1CCCC1=O 12141932 LKPQPWJJTPFZLM-CQSZACIVSA-N 329.404 1.195 0 40 EDAB COc1ccccc1C[C@@H](C)NC(=O)[C@@H](C)N1C(=O)NC(C)(C)C1=O 12196800 MTVGLRMLFFHOTO-VXGBXAGGSA-N 347.415 1.461 0 40 EDAB Cc1nc([C@H]2CCCCN2C(=O)COC(C)C)nc2c1CC(=O)N2C 19739636 VXMANGKSKAGMDZ-CQSZACIVSA-N 346.431 1.783 0 40 EDAB Cc1cc(C)n(CC(=O)N2CC[C@H](C(=O)N3CCCCCC3)C2)n1 19748044 CLHSVPNYSMWRNH-INIZCTEOSA-N 332.448 1.751 0 40 EDAB COc1cc2[nH]cc(C(=O)NCc3cccnc3)c(=O)c2cc1OC 35289323 MNZYHOXGMVOFKA-UHFFFAOYSA-N 339.351 1.870 0 40 EDAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCCCc1nc2ccccc2[nH]1 11485521 PVBVEUISZQLFQR-ABAIWWIYSA-N 331.420 1.695 0 40 EDAB Cn1cnc2ncnc(N3CCN(c4cnc5ccccc5n4)CC3)c21 1888922045 VZNSGGNXMVYTHQ-UHFFFAOYSA-N 346.398 1.633 0 40 EDAB COc1nccnc1N(C)CC1CCN(c2cncc(C)n2)CC1 1776009902 YBSWZAWFIIQGIF-UHFFFAOYSA-N 328.420 1.936 0 40 EDAB Cc1nc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCCC3)C2)cs1 1565545111 XXJOPFFEOTZWTC-YRGRVCCFSA-N 335.429 1.303 0 40 EDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)CCc3ccc[nH]3)CC[C@@H]21 1565549843 GCMPSACBOIFMNM-ZWKOTPCHSA-N 348.491 1.201 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2nc3c(s2)CCC3)CC1 13704820 NBHYTNIBJYNCER-UHFFFAOYSA-N 329.447 1.242 0 40 EDAB Cc1ccc(-c2cc(=O)n(CC(=O)NCc3ccccn3)cn2)cc1 13806691 TUKOTXBFTFGZFA-UHFFFAOYSA-N 334.379 1.930 0 40 EDAB Cc1nnsc1C(=O)NCCn1ccn2nc(-c3ccco3)cc12 206749339 LEUGYAAIMBISMJ-UHFFFAOYSA-N 342.384 1.986 0 40 EDAB O=C(Cn1cccc1)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225793420 CZYVRBKJYRICCF-UHFFFAOYSA-N 339.443 1.942 0 40 EDAB O=C(CN1CCN(CCCOc2ccc(F)cc2)CC1)N1CCCC1 40465908 PQSDAKKGEHQKPP-UHFFFAOYSA-N 349.450 1.835 0 40 EDAB CCCNC(=O)CSc1nnc(S[C@H]2CCOC2=O)s1 40456971 BLDJMXWVEGHPJC-ZETCQYMHSA-N 333.460 1.564 0 40 EDAB Cc1cccn2c(=O)cc(Cn3nc(-c4cccs4)oc3=O)nc12 31760943 KJEAIKJSAVZLAI-UHFFFAOYSA-N 340.364 1.929 0 40 EDAB CC(C)Oc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cn1 40529221 QRLDKNRMBXLHRW-UHFFFAOYSA-N 341.433 1.023 0 40 EDAB Cc1cc2c(nc1C)oc1c(=O)n(CC(=O)N3CCOCC3)cnc12 32070283 XBZIYXMPMRPCCW-UHFFFAOYSA-N 342.355 1.013 0 40 EDAB COc1ccc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1Cl 20678169 SQNDORHXIIVFRO-LLVKDONJSA-N 346.836 1.406 0 40 EDAB CCc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(C4CC4)C3)CC2=O)cc1 60065751 AJBZSZAMMDNTLV-HZPDHXFCSA-N 341.455 1.955 0 40 EDAB CCCS(=O)(=O)NC1CCN(C(=O)CCn2cccc2)CC1 72307016 RULRZUZMEQQQCE-UHFFFAOYSA-N 327.450 1.199 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)CN3CCc4sccc4C3)CCO2)n1 76046676 OSJSZCXTIBTPFW-CYBMUJFWSA-N 347.444 1.133 0 40 EDAB CC(C)N1C[C@@H](C(=O)N[C@H](C)c2nnc3n2CCCCC3)CC1=O 46353779 YBNWKWBKEHVPEE-OLZOCXBDSA-N 333.436 1.439 0 40 EDAB C[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1N1CCOCC1 76056910 IEFKDOOOAFXCNZ-CRAIPNDOSA-N 342.443 1.606 0 40 EDAB CS(=O)(=O)c1nccn1CC(=O)Nc1cc(Cl)ccc1F 76092612 YZIIEANAYSLEQQ-UHFFFAOYSA-N 331.756 1.718 0 40 EDAB O=C(c1cccnc1)N1CCN(C[C@H](O)COc2ccccc2)CC1 76514348 ZGRQECSUBIOHKC-KRWDZBQOSA-N 341.411 1.279 0 40 EDAB COc1cc2c(c3oc(=O)cc(CCC(=O)O)c13)[C@@H]1CC(=O)O[C@@H]1O2 1592475 SOGRHNDZGHUMHI-QPFGOUBPSA-N 346.291 1.568 0 40 EDAB C[C@@H](NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1)C(=O)O 1654245 VUZVKQRYIZFWBB-GFCCVEGCSA-N 334.372 1.815 0 40 EDAB CC(=O)N[C@@H](C(=O)O[C@H](C)C(=O)Nc1cc(C)on1)C1CCCC1 32850559 MCVXGBJPSPTKLY-QMTHXVAHSA-N 337.376 1.548 0 40 EDAB COC(=O)c1cc(NC(=O)[C@H](CCSC)NC(N)=O)ccc1F 32903643 GXRMEBUONUIBRM-NSHDSACASA-N 343.380 1.341 0 40 EDAB CC(C)CCN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)OCCO2 6375040 VUBNCXHGIVAZBA-UHFFFAOYSA-N 343.401 1.579 0 40 EDAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](C)N1CCOCC1 29959956 FQIYBUQDOWGXBO-GFCCVEGCSA-N 346.456 1.964 0 40 EDAB CC(C)COCCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 33240633 WGKBZUMFNZXUHI-UHFFFAOYSA-N 346.435 1.075 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CCC(=O)N1CCOCC1 8288794 IZHMAILRPBWAKY-UHFFFAOYSA-N 326.780 1.926 0 40 EDAB C[C@H]1CCCN(CCNC(=O)c2ccc(Cn3ccccc3=O)o2)C1 46862099 KZJNGXAIAAAXHG-HNNXBMFYSA-N 343.427 1.951 0 40 EDAB CNC(=O)c1ccc(CNC(=O)C[C@@](C)(O)c2ccccc2)cc1 97058523 VKAKSDQDBNQPJL-LJQANCHMSA-N 326.396 1.960 0 40 EDAB COc1ccc(CN2CCC3(CC2)CC(NS(C)(=O)=O)C3)cc1 108530475 OWXKTVMSSMRQFZ-UHFFFAOYSA-N 338.473 1.989 0 40 EDAB O=C1NC(=O)C(C(=O)c2ccc(OCc3cccs3)cc2)C(=O)N1 103501961 UCZLKJYCMKZNNN-UHFFFAOYSA-N 344.348 1.492 0 40 EDAB CC(C)/N=c1\ccccn1C(=O)CN1C(=O)NC2(CCCC2)C1=O 23197300 BNEVFHUAUGRMOX-QGOAFFKASA-N 330.388 1.302 0 40 EDAB COc1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1OC 100572377 NWQLKYXVVVMRQI-CHPZLBCBSA-N 342.351 1.156 0 40 EDAB COCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100117663 MQUCFZAFICAVKE-FCIKYMEBSA-N 343.427 1.737 0 40 EDAB CCC(=O)N1CCN(c2ccccc2[C@@H]2C[C@@H](C(=O)O)CC2=O)CC1 57328007 LDSLACXRXNYJAA-HIFRSBDPSA-N 344.411 1.893 0 40 EDAB C[C@@H](C(=O)Nc1ccc(NC(=O)NC2CC2)cc1)S(C)(=O)=O 55448493 CTNZXRRSPCEZMS-VIFPVBQESA-N 325.390 1.342 0 40 EDAB COC(=O)c1sc2nc(CC(=O)NC3CCCC3)[nH]c(=O)c2c1C 55504152 QHRHVXUBLREBHQ-UHFFFAOYSA-N 349.412 1.681 0 40 EDAB C[C@H]1CN([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C[C@@H](C)O1 25413517 QOOLYKZIGDSSQM-LXTVHRRPSA-N 334.416 1.440 0 40 EDAB COCCN(CCOC)C(=O)COC(=O)Cc1ccc(Cl)cc1 3297116 SFHSAYZUDIBLRL-UHFFFAOYSA-N 343.807 1.547 0 40 EDAB C[C@H](OC(=O)c1nccnc1N)C(=O)N1c2ccccc2CC[C@@H]1C 43839589 XCCYKGNXSOUAOH-RYUDHWBXSA-N 340.383 1.972 0 40 EDAB CCCCN(CC)C(=O)Cn1c(=O)n(CC)c(=O)c2sccc21 57478701 YEUOHVFBXNWDBD-UHFFFAOYSA-N 337.445 1.893 0 40 EDAB CC(C)NC(=O)Cn1nnc([C@@H](NC(=O)c2ccccc2)C2CC2)n1 72287763 TWEHHEVIIJGOGA-HNNXBMFYSA-N 342.403 1.079 0 40 EDAB CCn1ncc2c1CCC[C@@H]2NCc1ccc(OCC(N)=O)cc1 72298374 PMMJPESAZMHKEG-INIZCTEOSA-N 328.416 1.934 0 40 EDAB C[S@@](=O)CCN1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1 72294440 PRXIZNQQKNPEEZ-DEOSSOPVSA-N 348.512 1.631 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN2CCC[C@@H]2C1 72277699 OXOIZKSSUCVEFN-CYBMUJFWSA-N 338.429 1.317 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc[nH]c1=O 44907380 NQTDLPAHAPPKKG-NSHDSACASA-N 334.397 1.612 0 40 EDAB CCO[C@@H](CC)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 58341104 KQGXMBNHJUPWMP-ZDUSSCGKSA-N 348.852 1.550 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)/C(=C/c1ccccc1)n1nnnc1C 48261540 QBULQCCHDXPVCB-FEEIMYBTSA-N 341.415 1.865 0 40 EDAB Cn1nnnc1SCC(=O)N[C@@H](c1ccccc1)c1nccs1 58424201 JYWKTQRIMMBDIL-LBPRGKRZSA-N 346.441 1.665 0 40 EDAB NC(=O)c1cc(NC(=O)COc2ccccc2Cl)cc(C(N)=O)c1 10670409 WNMHWNDKKGNRFP-UHFFFAOYSA-N 347.758 1.555 0 40 EDAB CN(Cc1ccccc1F)C(=O)Cn1nnn(-c2cccs2)c1=O 10815655 BPOBNQGGJJGCRM-UHFFFAOYSA-N 347.375 1.288 0 40 EDAB C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)NC(N)=O 28849700 WVGYIYYZWIQIKG-ZETCQYMHSA-N 329.451 1.958 0 40 EDAB C[C@H](OC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)NC1CCCC1 12765971 PKJRARXEVYGKFD-XHDPSFHLSA-N 346.383 1.767 0 40 EDAB O=C(CN(Cc1cccc(F)c1)C1CC1)N[C@@H]1CCS(=O)(=O)C1 59389442 SXAWXKMSPCCQEN-CQSZACIVSA-N 340.420 1.093 0 40 EDAB COc1cc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)ccn1 29195922 GLYCGBWKTOBFLG-INIZCTEOSA-N 339.395 1.755 0 40 EDAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCc2ccccc21 3430171 OTSMRQXMAGEIEC-LBPRGKRZSA-N 345.424 1.724 0 40 EDAB CCc1nnc2n1CCN(C(=O)CN(C)c1ccc(Cl)cn1)C2 69484862 VZVSUUVQEJKNIA-UHFFFAOYSA-N 334.811 1.368 0 40 EDAB C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NCCc1ccccn1 69436192 AMZWKQJFXWKASF-LBPRGKRZSA-N 337.383 1.435 0 40 EDAB COc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C2CCC2)CC1 69458801 XHRDNWJDWGXHQJ-UHFFFAOYSA-N 345.399 1.105 0 40 EDAB C[C@H]1COCCN1C(=O)CCCNS(=O)(=O)c1ccc(F)cc1 63685488 UFHJHUCDUKIFLN-LBPRGKRZSA-N 344.408 1.132 0 40 EDAB C[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 4029754 CXULUBHZXYEBLG-JTQLQIEISA-N 345.351 1.640 0 40 EDAB biogenic CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2nccnc2N)cc1 5040403 KJPHSBJAICJNMW-VIFPVBQESA-N 343.343 1.201 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)NCc3cnn(C)c3)C2)c1 69587260 KZRMZGRFCRMMEI-CQSZACIVSA-N 343.431 1.754 0 40 EDAB Cc1noc(CCNC(=O)NCc2ccc(-n3cccn3)nc2)n1 69580867 SDGQSRNCFFFKRT-UHFFFAOYSA-N 327.348 1.001 0 40 EDAB CC(C)CN(CC(=O)N1CCOCC1)C[C@@H](O)c1ccc(F)cc1 69975239 ODRANHONDSYCQN-QGZVFWFLSA-N 338.423 1.676 0 40 EDAB CCN1CCN(C2CCN([C@H](C(N)=O)c3ccc(F)cc3)CC2)C1=O 69512753 YZROJCPZOVNIBE-INIZCTEOSA-N 348.422 1.574 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc(S(C)(=O)=O)cc2)c1 69946256 MOOAZPONFSAWKZ-HNNXBMFYSA-N 347.440 1.900 0 40 EDAB Cc1ccc(CNC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cn1 65417420 UNBWBXGOIYTUTE-AWEZNQCLSA-N 340.449 1.003 0 40 EDAB O=C(COc1ccc(F)cc1)NN1C(=O)NC2(CCCCC2)C1=O 14093776 JUOHTLIZCTXYJT-UHFFFAOYSA-N 335.335 1.490 0 40 EDAB CCn1nc(C(=O)OCC(=O)N2CCCCC2)c2ccccc2c1=O 4525553 RFNWLYQAOCNKCW-UHFFFAOYSA-N 343.383 1.586 0 40 EDAB O=C(CNc1ccc(F)cc1)NN1C(=O)NC2(CCCCC2)C1=O 14200179 SFXMSRNYFOKGRW-UHFFFAOYSA-N 334.351 1.524 0 40 EDAB COc1cccc(CNC(=O)COC(=O)c2ccc(C=O)cc2)c1 5405182 HYUDQFJISNKWBA-UHFFFAOYSA-N 327.336 1.981 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCc1nncn1C1CC1 69668392 KLXAYOVFLMWTSZ-ZDUSSCGKSA-N 349.435 1.671 0 40 EDAB NC(=O)Cc1csc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 14332255 VUMWEJNWOOGIFA-NSHDSACASA-N 337.788 1.767 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 4778269 PDZOOIAAGGKPSN-VXGBXAGGSA-N 328.434 1.585 0 40 EDAB CCn1cc(CN2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)cn1 306131349 KCGNQZZDWGWEDR-KRWDZBQOSA-N 342.447 1.669 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)CCCCC(=O)N(C)C 69869352 HEWMBVNYRNRYBU-ZDUSSCGKSA-N 340.445 1.687 0 40 EDAB Cn1cc(C(=O)N2CCC[C@@H](NS(=O)(=O)c3ccccc3)C2)cn1 69875951 GZKFDNYDGNPXQH-CQSZACIVSA-N 348.428 1.003 0 40 EDAB c1ncn(-c2ccc(CNCCc3nnc4n3CCCCC4)cc2)n1 67698332 YDJZDOXGEXTZTE-UHFFFAOYSA-N 337.431 1.918 0 40 EDAB O=C(COC(=O)c1ccc[nH]1)NCC(=O)Nc1ccc(F)c(F)c1 7453195 OSSIZHYNEJQAQN-UHFFFAOYSA-N 337.282 1.205 0 40 EDAB CC(C)(C)NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858247 MHPAQQSEAJOYAY-UHFFFAOYSA-N 344.820 1.935 0 40 EDAB COC(=O)CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 8747425 QBHAUWAHVPLONK-CQSZACIVSA-N 331.372 1.291 0 40 EDAB Cc1ccc(C)c(NC(=O)CNC(=O)CNC(=O)c2ccco2)c1 7910527 AIOGZRWNULSWGI-UHFFFAOYSA-N 329.356 1.381 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C3OCCO3)CC2)cc1 69242925 JWIOYSPLYPINJW-UHFFFAOYSA-N 339.413 1.663 0 40 EDAB Cc1cc(S(=O)(=O)N(C)[C@H]2CCNC2)ccc1Br 71310294 UUZSSLZRFQBKAX-JTQLQIEISA-N 333.251 1.740 0 40 EDAB COc1cccc(/C=C\C(=O)N[C@H](C(N)=O)C(C)C)c1OC(F)F 96297402 CPHSZVSMZDXDFX-WSROAFLRSA-N 342.342 1.936 0 40 EDAB COc1cc(C)cc2c1OCC[C@@H]2NC(=O)C(C)(C)S(C)(=O)=O 95396349 JDENCBIATOJREJ-LBPRGKRZSA-N 341.429 1.767 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O 71890952 AVSJSGHDRPZSJG-BHYGNILZSA-N 346.427 1.834 0 40 EDAB C[C@@H]1CN(C2CCN(C(=O)c3cnc4ccccc4n3)CC2)CCO1 71821626 FUACJSXDWLBDPC-CQSZACIVSA-N 340.427 1.955 0 40 EDAB C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)CN1CSCC1=O 71894294 MYTWCCIFYZBEJA-IGCXYCKISA-N 334.441 1.896 0 40 EDAB OC1(CNc2cc(C(F)(F)F)nc3ncnn23)CCSCC1 71915167 SFRZWWBTNZTSFR-UHFFFAOYSA-N 333.339 1.813 0 40 EDAB COCCN(CC(=O)Nc1cccnc1OC)C(=O)OC(C)(C)C 71907508 KLTWVBSFQNACDZ-UHFFFAOYSA-N 339.392 1.912 0 40 EDAB CCCNC(=O)[C@@H](C)OC(=O)CN1CCN(Cc2ccccc2)CC1 71921287 VULYWVYJDFVPRR-MRXNPFEDSA-N 347.459 1.262 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NCc1ccccc1CO 72079212 NILUAISOSXDAEZ-UHFFFAOYSA-N 328.368 1.751 0 40 EDAB COC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 83995956 TYMLLGBGBLYUFG-FZMZJTMJSA-N 330.384 1.206 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCN(c2ccccn2)CC1 95476867 YWKLWGXDNKNSGR-CQSZACIVSA-N 334.420 1.501 0 40 EDAB CCOc1cc(CNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)ccn1 84805142 SWKLGLASGURSKB-OAHLLOKOSA-N 343.431 1.988 0 40 EDAB Cc1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c2c(C)noc2n1 75606140 ZXRGJKKRIOGTBS-LSDHHAIUSA-N 344.415 1.511 0 40 EDAB OC[C@]12COCCN1CCN(c1cnc3cc(Cl)ccc3n1)C2 1548524362 BLEGQNUNJSIZOS-MRXNPFEDSA-N 334.807 1.167 0 40 EDAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)C1=NO[C@]2(CCCNC2)C1 1548547174 LSYIWNJAASUYSC-MZMPZRCHSA-N 331.416 1.513 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)NCCn3ccnc3)CC2)cc1 43310656 PAPPADAAXDAFPQ-UHFFFAOYSA-N 341.415 1.618 0 40 EDAB CC(C)c1nc(C2CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)no1 552608850 FVZGWQVCLJOERJ-ZDUSSCGKSA-N 346.431 1.910 0 40 EDAB O=S(=O)(CCC1CCOCC1)N1CCN(c2nccs2)CC1 521394266 FDMOIPROWHNOGP-UHFFFAOYSA-N 345.490 1.412 0 40 EDAB COc1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c1 37867456 UIEIXODWPYQDNI-BGTSTNQPSA-N 345.351 1.375 0 40 EDAB COc1cc(C(=O)N2C(=N)O[C@H]3CSC[C@@H]32)cc(OC)c1OC 72342806 DPFURUMPTKSVLS-CABZTGNLSA-N 338.385 1.604 0 40 EDAB O=C([C@H](CNCc1ccncc1)c1ccccc1)N1CCOCC1 78553764 WKAZSNIVXYPQPI-GOSISDBHSA-N 325.412 1.814 0 40 EDAB COCC(=O)N1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 72380467 BYYGZPNZWJBWFQ-HNNXBMFYSA-N 334.420 1.782 0 40 EDAB COc1cccc2[nH]cc(CC(=O)N3CCN(C(=O)C4CC4)CC3)c12 537609278 CFJPTXGSFFSCNZ-UHFFFAOYSA-N 341.411 1.800 0 40 EDAB CC[C@H](C)N(C)CCNC(=O)Nc1ccc(F)c(-n2nnnc2C)c1 79028789 RDTMEKMTXNUXIP-NSHDSACASA-N 349.414 1.962 0 40 EDAB COc1ccc2nnc(CCC(=O)Nc3nc(C)c(C)s3)n2n1 71285103 DVUUBXAZYABCAZ-UHFFFAOYSA-N 332.389 1.778 0 40 EDAB COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(C)c2cc1OC 70666263 YHHTYHXAWQAASI-UHFFFAOYSA-N 326.352 1.766 0 40 EDAB biogenic COc1cccc(CNC(=O)N2CCc3nn(C)c(=O)cc3C2)c1 72928946 YPEBVMGABPVAOR-UHFFFAOYSA-N 328.372 1.057 0 40 EDAB COc1ccc2nnc(CCC(=O)Nc3nc4c(s3)CCC4)n2n1 72403132 YMGGOSDJSNJUPJ-UHFFFAOYSA-N 344.400 1.649 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)c(CO)c2)CC1 2362803200 MWUOJAABOKMKFW-UHFFFAOYSA-N 336.388 1.934 0 40 EDAB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(F)cccc1F 36293862 OPDWDUOCQIUQOZ-CYBMUJFWSA-N 341.335 1.939 0 40 EDAB CCOC(=O)[C@H]1CCCN1CC(=O)N[C@H]1CCOc2ccccc21 184689281 NNEHAJVYECKSTI-LSDHHAIUSA-N 332.400 1.654 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1 41778467 IYERNDUVMGPSSQ-UHFFFAOYSA-N 336.388 1.463 0 40 EDAB O=C(/C=C/c1cccnc1)NCCNC(=O)c1c(F)cccc1F 79033424 RMEQGSGSGGVYEB-VOTSOKGWSA-N 331.322 1.919 0 40 EDAB O=C(NCCc1noc(-c2ccccn2)n1)c1cc(F)ccc1O 80026825 IPRUNZRXMCQPAH-UHFFFAOYSA-N 328.303 1.949 0 40 EDAB NC[C@@H](C(=O)N1CCC(OC2CCOCC2)CC1)c1ccccc1 225471848 IADAYFUANLHLQL-GOSISDBHSA-N 332.444 1.916 0 40 EDAB CN(c1cccc(NC(=S)NC[C@@H]2CCCO2)c1)S(C)(=O)=O 225318572 OGHLKNOLJXYROD-ZDUSSCGKSA-N 343.474 1.548 0 40 EDAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccncc3)ccc21 224472909 MFMMBYBDXMERHA-UHFFFAOYSA-N 345.424 1.859 0 40 EDAB O=C(NCCNC(=O)c1c(Cl)cccc1Cl)c1ccn[nH]1 97236491 FVUXILVNGLVVBC-UHFFFAOYSA-N 327.171 1.876 0 40 EDAB O=S(=O)(CC[C@@H]1CCCO1)N1CCC[C@H](N2CCCCC2)C1 96472611 QFFVKNURLIXLAD-HOTGVXAUSA-N 330.494 1.836 0 40 EDAB C[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)[C@H](O)c1ccc(F)c(F)c1 95433371 IJBBGMDACFPNEJ-ZETOZRRWSA-N 348.415 1.953 0 40 EDAB COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3ccc(C)o3)C[C@@H]12 96057192 AAODMIHQPMPYAQ-INMHGKMJSA-N 336.432 1.435 0 40 EDAB Cn1cc([C@H]2CC(=O)NC23CCN(C(=O)c2cccn2C)CC3)cn1 96199792 XRQWBJOWSYUJLA-CQSZACIVSA-N 341.415 1.037 0 40 EDAB CCn1nc(C)c(CNC(=O)NCC[S@](=O)C(C)(C)C)c1C 96408883 ALMNXACDSCHGGF-JOCHJYFZSA-N 328.482 1.866 0 40 EDAB C[C@H](NC(=O)N[C@H](C)C(=O)N(C)C)c1cccc(-n2ccnc2)c1 96439267 IHVFRSZHSZHANR-QWHCGFSZSA-N 329.404 1.709 0 40 EDAB CC(C)c1nnc(N(C)C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)o1 581925160 VJVPBBSJGAPCHI-KBPBESRZSA-N 336.415 1.975 0 40 EDAB CCn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(C)cc2)cn1 96181430 NCFCKNFHLXEZQX-DLBZAZTESA-N 342.399 1.748 0 40 EDAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)CN1CCOCC1 96487361 LRNOCKAMTLRXTB-LBPRGKRZSA-N 341.249 1.829 0 40 EDAB COc1ncccc1CN1C[C@@H]2C[C@H](CC(=O)NC3CCC3)O[C@@H]2C1 96218877 VAAXVDKGYRKISL-USXIJHARSA-N 345.443 1.738 0 40 EDAB Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)Cc2ccsc2)C3)n1 96038744 ZUZRRQHHKBSZOU-CZUORRHYSA-N 333.413 1.941 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccncc2)Cc2nccn2C1 96066841 DRMISEZWZDTSMZ-MRXNPFEDSA-N 343.431 1.015 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 96057036 POSASLCIEIEOJX-HOTGVXAUSA-N 329.462 1.776 0 40 EDAB O=C(c1ccnnc1)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 96039860 BMXGEDNKFVKEJY-SJLPKXTDSA-N 331.416 1.915 0 40 EDAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)Cc1cccs1)C2 96071517 JOJKLYCXDBLOBV-HNNXBMFYSA-N 342.486 1.707 0 40 EDAB O=C(c1ccccc1)N1Cc2nccn2C[C@H](Cn2ncccc2=O)C1 96188736 UGDFGITVDVSOKD-HNNXBMFYSA-N 349.394 1.412 0 40 EDAB N[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242538989 JKUXKKNUZIABGL-BZUAXINKSA-N 337.828 1.970 0 40 EDAB COC[C@H]1CCS(=O)(=O)C12CN(Cc1ccccc1OC)C2 248145115 SCYISZVVFXJZIH-CQSZACIVSA-N 325.430 1.331 0 40 EDAB Cc1cccc2nc(C(=O)N3CCC4(CC3)OCCC[C@H]4O)cn12 257324123 WNGZKKVNAAUJCI-OAHLLOKOSA-N 329.400 1.789 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)c2cnc(C)cn2)CCN1C 257329944 XMDDEHTWKMDLQR-INIZCTEOSA-N 326.400 1.923 0 40 EDAB COCC(=O)N1CCC(CCCc2cnccn2)(C(=O)N(C)C)CC1 257216866 CWKYTQJRTPLIPE-UHFFFAOYSA-N 348.447 1.143 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1=NO[C@@H](c2ccccc2)C1 61649077 LEUMKWWSIKQGPS-ZMSDIMECSA-N 329.400 1.483 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccc(OC)cc1 257262530 LLTYUTBIKLNDOI-WBVHZDCISA-N 334.416 1.446 0 40 EDAB CC(=O)C[C@@H]1C[C@H](n2cnc3c(O)ncnc32)[C@@H](C(C)=O)[C@H]1C(C)=O 253612052 XLWBUYJUDZPCSS-ZOBORPQBSA-N 344.371 1.482 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)cn1 257219882 DIPXIQJZVGTBTG-INIZCTEOSA-N 326.400 1.962 0 40 EDAB COc1ccc([C@@H]2CNCCN2C(=O)c2ccc(C)nc2O)cc1 257267408 MHEHXOICJIQEJU-INIZCTEOSA-N 327.384 1.891 0 40 EDAB COC(=O)[C@H]([C@@H](C)O)N(C)C(=O)C[C@H](C)Cc1cccc(F)c1 585089910 JTACOGZWZRQWSR-HSMVNMDESA-N 325.380 1.775 0 40 EDAB Cc1cc(C)n(CCC(=O)NC2CCN(c3cc(C)[nH]n3)CC2)n1 253402252 OCAOGDMQMBUEJZ-UHFFFAOYSA-N 330.436 1.707 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)cn1 257222904 DVCNHWFHQDPHKA-IBGZPJMESA-N 340.427 1.889 0 40 EDAB COCc1ncc(C(=O)N[C@H]2COc3c(OC)cccc3C2=O)s1 1614681808 QQHDDZYRDWAVLU-JTQLQIEISA-N 348.380 1.672 0 40 EDAB COCCNS(=O)(=O)c1cc(F)ccc1NCc1ccn(C)n1 1615050803 KYAIYBQVFQPJII-UHFFFAOYSA-N 342.396 1.096 0 40 EDAB O=C(c1cnns1)N1C[C@@H]2CC[C@@]2(Nc2cncc(Cl)n2)C1 1615055573 CUBMDBUQQGFDFK-ISVAXAHUSA-N 336.808 1.698 0 40 EDAB C[C@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(F)c(C(=O)O)c1F 1615057420 STBPEPBFVAKSIY-CYBMUJFWSA-N 349.311 1.291 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)c1ccc2ccccc2n1 585277516 IBOQEZLJVVRNEE-SFHVURJKSA-N 327.384 1.731 0 40 EDAB Cn1cnc(C(=O)N2CCO[C@@](CO)(Cc3cccc(F)c3)C2)c1 585277910 YXWMVSDYYGCUKC-KRWDZBQOSA-N 333.363 1.005 0 40 EDAB Nc1ccc(F)c(NC(=O)CCN2CC[C@H](c3cc(O)n[nH]3)C2)c1 585141019 NOAUIBLIKVIADM-JTQLQIEISA-N 333.367 1.655 0 40 EDAB Cc1cccc(C(=O)N2Cc3cncn3[C@H](C(=O)NC(C)C)C2)c1 585095975 WERGJALALJSYEI-INIZCTEOSA-N 326.400 1.913 0 40 EDAB CNc1ncc(CN2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)cn1 585277884 QPTRCIWWDBFZJB-IRXDYDNUSA-N 330.407 2.225 0 40 EDAB O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)N1CCC(O)CC1 49026242 DXVSKMPEQVHALG-UHFFFAOYSA-N 337.807 1.565 0 40 EDAB CN(C)c1nc2sc(C(=O)N[C@H]3CCCCNC3=O)cc2s1 53478012 WRRJHHUDQTUTQG-QMMMGPOBSA-N 338.458 1.822 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cn1 72234175 JKKBSDKNZCJWHT-HNNXBMFYSA-N 341.415 1.769 0 40 EDAB Cc1cc(N2CCC(C)(c3[nH]ncc3S(C)(=O)=O)CC2)ncn1 72388872 VYEHBOBJKUKCQC-UHFFFAOYSA-N 335.433 1.470 0 40 EDAB COc1cc(B(O)OC(C)(C)C(C)(C)O)c(F)cc1Br 200319978 FWADZMWHXPLQRL-UHFFFAOYSA-N 349.005 1.850 0 40 EDAB CCS(=O)(=O)NCCNC(=O)c1cc(C)cc(Br)c1 124717180 MQYNTKXVEJQFIZ-UHFFFAOYSA-N 349.250 1.427 0 40 EDAB CS(=O)(=O)c1snnc1C1CCN(Cc2cccnc2)CC1 12121306 NKSGYIWDXCSBLT-UHFFFAOYSA-N 338.458 1.716 0 40 EDAB CC[C@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234204 QLXMJJMGPITIQZ-JTQLQIEISA-N 331.351 1.457 0 40 EDAB COc1ccc(-c2ccnc3nc(CCC(=O)O)nn23)cc1OC 12399060 SEMUTAVGHJZIJY-UHFFFAOYSA-N 328.328 1.826 0 40 EDAB CCN(CC)CC(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19526330 PXJWLJXZXUZKGB-CQSZACIVSA-N 331.464 1.170 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19529553 XEZKCNMSNGAXPL-SFDCBXKLSA-N 334.347 1.023 0 40 EDAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)C2 19767327 IDVCDUIAFGNMMW-HNNXBMFYSA-N 343.406 1.769 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnccn1 418346 RTVRYORKWGBSLD-UHFFFAOYSA-N 346.412 1.904 0 40 EDAB CCc1nc(N2C[C@H]3CN(C(=O)c4ccno4)C[C@H]3C2)nc(O)c1F 1888866228 BUOVGIXYSXLMKP-AOOOYVTPSA-N 347.350 1.080 0 40 EDAB CN1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 25285337 PFSBIXGDPJOUQN-UHFFFAOYSA-N 337.423 1.857 0 40 EDAB Cc1cc(C)n2nc(C(=O)NC[C@H](c3ccsc3)N(C)C)nc2n1 25330187 USUQKUZYOJBRTC-CYBMUJFWSA-N 344.444 1.835 0 40 EDAB COc1cc(F)c(S(=O)(=O)NCCn2ccnc2)cc1OC 27954410 PSYXULFEDZSRJG-UHFFFAOYSA-N 329.353 1.018 0 40 EDAB CC(C)CN1C[C@@H](C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1=O 40553770 HBVWHKHEHLWCGQ-LSDHHAIUSA-N 345.447 1.066 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 238832568 GGNHNYIYNSYMGC-XJKCOSOUSA-N 334.372 1.551 0 40 EDAB CC(=O)N1CC2(CCN(Cc3cn(C)cn3)CC2)C[C@@H](O)C1(C)C 2037849914 LVDCBNOUCWPOSD-MRXNPFEDSA-N 334.464 1.394 0 40 EDAB O=C(C1CC(O)C1)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 1565547509 QGLVEJAWUXLRMS-SUUOEQEQSA-N 332.400 1.128 0 40 EDAB Cc1ncnc(C(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)c1C 1565544120 DMOLHJXNYSEEPG-UHFFFAOYSA-N 331.420 1.359 0 40 EDAB CCOC(=O)[C@H](CC)Sc1ccnc2c1c(=O)n(C)c(=O)n2C 4942225 METOXHZZSGMUIR-VIFPVBQESA-N 337.401 1.066 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)n1cccn1 575613978 NGJAKUMKMMAYRY-CYBMUJFWSA-N 344.396 1.560 0 40 EDAB Cc1ncn(CC(=O)NCc2nccnc2-c2ccco2)c(=O)c1C 585406938 HLZKKMLDERDTOW-UHFFFAOYSA-N 339.355 1.227 0 40 EDAB O=C(COc1ccccc1F)NCc1nc(-c2ccc[nH]c2=O)no1 225803735 RYJQOUVPDYUZTK-UHFFFAOYSA-N 344.302 1.259 0 40 EDAB COc1ccc(OC)c(CNS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 40051344 DFFPXWYOQWWWAO-TXEJJXNPSA-N 344.433 1.147 0 40 EDAB Cc1cc(C)cc(OCCN(C)C(=O)CC[C@H]2NC(=O)NC2=O)c1 30894396 DMIMVHJCSXHPTL-CQSZACIVSA-N 333.388 1.129 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2ccc(-c3ccccc3F)o2)CC1 40481104 HODDVWMJWZTFJB-UHFFFAOYSA-N 345.374 1.765 0 40 EDAB CC(C)N1C(=O)C(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O 31647191 NENUYUPFYYAPSR-UHFFFAOYSA-N 328.328 1.360 0 40 EDAB COc1ccc(S(=O)(=O)NCCCn2cncn2)cc1Cl 40527704 KDGWYJPEVIBKMW-UHFFFAOYSA-N 330.797 1.309 0 40 EDAB COC(=O)c1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)ccc1Cl 101358162 FCBUFYFFWZMHFV-KOFHJDLBSA-N 347.754 1.960 0 40 EDAB CN1CCN(CCNC(=O)c2ccc(OC3CCCC3)cc2)CC1 46179942 CWEOLEWOKFRIBJ-UHFFFAOYSA-N 331.460 1.985 0 40 EDAB CCOC(=O)c1cnc(SCC(=O)N2CCCC[C@@H]2C)nc1N 419241 FQSZPOFUVCTIPE-JTQLQIEISA-N 338.433 1.729 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CN2CCN(c3ncccn3)CC2)c1 32774730 WPGLKGWQOXISQM-QGZVFWFLSA-N 342.443 1.655 0 40 EDAB C[C@H]1CN(C(=O)CCN2C(=O)CCc3ccccc32)C[C@@H]1N(C)C 76050747 PXLKVFROMBMIFW-YOEHRIQHSA-N 329.444 1.764 0 40 EDAB CNS(=O)(=O)[C@@H]1CCCN(c2nc3ccccc3cc2CO)C1 78258255 HNKQAIUFTWBGFO-CQSZACIVSA-N 335.429 1.245 0 40 EDAB Cc1cc(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)no1 78435222 NNDIUIFFPHRXPG-UHFFFAOYSA-N 346.412 1.250 0 40 EDAB CNC(=O)CCOc1ccc(NC(=O)NCCc2ccccn2)cc1 78522514 HRLBIEVPBLENNL-UHFFFAOYSA-N 342.399 1.961 0 40 EDAB COC(=O)C[C@@H]1CSCCN1C(=O)/C=C/c1csc(C)n1 78869195 DBDGBAAADPNQPI-AAOUONPWSA-N 326.443 1.972 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccncc1)n2CCOC 32833190 NLLKDWCFMLWIDF-UHFFFAOYSA-N 329.360 1.005 0 40 EDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 4064644 NNCKSAGIHJUGAY-WHJJEVRWSA-N 343.379 1.711 0 40 EDAB biogenic CCc1ccc(N2C[C@H](C(=O)OCC(=O)NC3CC3)CC2=O)cc1 6081926 GSYKPYJOBWTWON-CYBMUJFWSA-N 330.384 1.424 0 40 EDAB CN(C)c1cc2c(cc1NC(=O)c1cccnc1)n(C)c(=O)n2C 6391863 WTCGQCJACOJOLT-UHFFFAOYSA-N 325.372 1.590 0 40 EDAB C[C@@H](O)CN[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O 6471108 JVJYUFFZXWVCFX-HQJQHLMTSA-N 335.187 1.746 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N[C@H]1CCCn2nc(C(C)C)nc21 97014010 XETJDTKPNJMDFP-NSHDSACASA-N 339.421 1.820 0 40 EDAB Cc1nc(-c2ccccc2)oc1C(=O)N1CCN([C@@H](C)C(N)=O)CC1 97009483 ZRUIUFJITIHMHI-ZDUSSCGKSA-N 342.399 1.282 0 40 EDAB Cc1oncc1C(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F 107467589 BMWWQWBIELMDEF-KKUMJFAQSA-N 347.346 1.968 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)N1CCC[C@@H](O)C1 100217069 HGPHJNJWOIQMGE-QSUJAYFNSA-N 328.368 1.057 0 40 EDAB CN(Cc1cccnc1)Cc1cn2c(n1)CN(C[C@H]1CCOC1)CC2 107213234 PFMMXNOEFAQKAZ-QGZVFWFLSA-N 341.459 1.762 0 40 EDAB Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2C)no1 2726587 VMTCIVRHYBUJSE-UHFFFAOYSA-N 330.373 1.904 0 40 EDAB CCN(c1ccc(OCC(=O)NCC(C)C)cc1)S(C)(=O)=O 10009950 QQRPLEBMFZZSQJ-UHFFFAOYSA-N 328.434 1.624 0 40 EDAB C[C@H](c1cccc(Cl)c1)N(C)CCS(=O)(=O)CCC(N)=O 53232855 FRFSDRUPIBYZMC-LLVKDONJSA-N 332.853 1.623 0 40 EDAB Cc1cc(NC(=O)CN(C)C(=O)COCCOc2ccccc2)no1 46919746 CMOSZATTZXEIFP-UHFFFAOYSA-N 347.371 1.476 0 40 EDAB C[C@H]1Cc2cc(C(=O)NCc3cnn(C)c3)ccc2N1S(C)(=O)=O 53409796 AMEPQSWPJPDMDR-NSHDSACASA-N 348.428 1.061 0 40 EDAB Cn1c(C(=O)O)c([C@@H](C(=O)O)N2CCC[C@H]2C(=O)O)c2ccccc21 109998576 PYWOMIWUPZEPQZ-FZMZJTMJSA-N 346.339 1.551 0 40 EDAB COc1ccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)cn1 22834669 BTTIVRDZLMTREG-UHFFFAOYSA-N 332.341 1.607 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CN1C(=O)COc2ccc(Cl)cc21 24479652 PBNCXJYPMOQMQV-UHFFFAOYSA-N 348.790 1.458 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C[C@@H](C)O1 24479937 KCMCQAURDXFTEL-JHJVBQTASA-N 346.383 1.404 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)CNC(=O)c3ccco3)cn2)n1 24785907 OAINZTVBHUBWAK-UHFFFAOYSA-N 339.355 1.846 0 40 EDAB C[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)CN1CCCC1 55265512 BINWUFWVLCNXIZ-CYBMUJFWSA-N 340.445 1.468 0 40 EDAB O=C(NCCNC(=O)C1CCCC1)N[C@H]1CCN(c2ccccc2)C1 72270208 VUEUZGDCJBWGQW-INIZCTEOSA-N 344.459 1.871 0 40 EDAB C[C@H](C(N)=O)S(=O)(=O)Cc1ccc(OCC(F)(F)F)cc1 55213207 DFVAAPLVXPQJJF-MRVPVSSYSA-N 325.308 1.416 0 40 EDAB COc1ccc(OC)c([C@H](C)NC(=O)NCCNc2ncccn2)c1 43878296 NRLIFYJATXDUJU-LBPRGKRZSA-N 345.403 1.966 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)NNc2ccc(C(=O)O)cc2)c1 3290160 DBPZOUYWMIUIJM-UHFFFAOYSA-N 334.353 1.893 0 40 EDAB C[S@](=O)c1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1 44226901 ZYHJQSQGTJYGHW-HSZRJFAPSA-N 332.429 1.672 0 40 EDAB Cc1cnn(C[C@H]2CN(CC[S@@](=O)c3ccccc3)CCO2)c1 69490312 AAXLRBHVJWEPFX-MWTRTKDXSA-N 333.457 1.700 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(Cc3nc4ncccc4[nH]3)CCO2)n1 69413737 VPSMCTYOIUZELZ-AWEZNQCLSA-N 326.404 1.672 0 40 EDAB Cc1ccc(/C=C/C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 69484082 WFMHPBTZHXGLPS-BLGFXRMMSA-N 341.455 1.949 0 40 EDAB Cc1nnc2n1CCN(C(=O)CN(C)c1nc3ccccc3s1)C2 69451444 IRKHRQUONLOLHY-UHFFFAOYSA-N 342.428 1.675 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NCC(=O)N1CCc2sccc2C1 69483963 IZEIDUZWHVPSBV-LBPRGKRZSA-N 347.444 1.217 0 40 EDAB CCC(O)(CC)CNC(=O)NC1CCN(Cc2ccncc2)CC1 57616109 PUVJAKZQTCXHBQ-UHFFFAOYSA-N 334.464 1.896 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C1 48250871 UWEFDDXYYVKQJX-GFCCVEGCSA-N 345.365 1.715 0 40 EDAB COc1ccc(CNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cn1 58213615 BOMXAQAWNGDMDQ-CQSZACIVSA-N 340.383 1.695 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NC)c(C)c1 58203022 VVNYADZFODXGSA-CQSZACIVSA-N 340.445 1.683 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCCN(C(C)=O)CC2)c(C)c1 58282531 CWYPAAWITJWMBZ-UHFFFAOYSA-N 340.445 1.637 0 40 EDAB CCN1CCC[C@H]1CNS(=O)(=O)c1cc(OC)c(OC)cc1F 44910647 SRPTUXYSTLOMDT-NSHDSACASA-N 346.424 1.606 0 40 EDAB C[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)c1ccncc1 58314328 NBWWQCQZIVZMTO-LLVKDONJSA-N 330.373 1.097 0 40 EDAB COCCCN1CN=C(Nc2nc(C)c3cccc(C)c3n2)NC1 20634337 PQEXHCGVGINARD-UHFFFAOYSA-N 328.420 1.871 0 40 EDAB CC(C)NC(=O)NC(=O)CSc1nc(-c2ccccc2)cn1N 3377945 NGRKJVDQKJEHAI-UHFFFAOYSA-N 333.417 1.590 0 40 EDAB COc1ccc(C(=O)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(O)c1 408621084 LDRLDNGRJLNJLL-ZJXMQHFVSA-N 339.347 1.594 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)NC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1 408503563 SPODZEKWAZIDTK-UTUOFQBUSA-N 339.461 1.786 0 40 EDAB Cc1ccc2c(c1)S[C@H](C(=O)N1CCC3(CC1)NC(=O)NC3=O)C2 45728629 BKHMAXBUIMXXMQ-ZDUSSCGKSA-N 345.424 1.212 0 40 EDAB COc1ncccc1CNC(=O)N(C[C@H]1CCCO1)C[C@H]1CCCO1 45965416 WSSAGZKMZYEYAT-HZPDHXFCSA-N 349.431 1.960 0 40 EDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 45964296 ZGDWNORUEDRRSG-AWEZNQCLSA-N 325.386 1.605 0 40 EDAB COc1ccc(CCNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3608381 AKFZLYBSPCCGNK-UHFFFAOYSA-N 337.379 1.915 0 40 EDAB CC(C)(O)CN1CCN(C(=O)C[C@@H]2OCCc3sccc32)CC1 69930097 XXUDCBDKWHHUCF-AWEZNQCLSA-N 338.473 1.667 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@@H]2Cn2cccn2)CN1C1CCCC1 69951943 KAXXHNYAGXCGFE-GOEBONIOSA-N 330.432 1.665 0 40 EDAB O=C1Nc2ccccc2[C@H]1CC(=O)N1CCN(c2nccs2)CC1 63854980 DDMUSOMNOSWFBH-CYBMUJFWSA-N 342.424 1.918 0 40 EDAB Nc1nc(N)nc(COC(=O)C2(c3cccc(F)c3)CCCC2)n1 17726819 BFCSCNCPYNVXDI-UHFFFAOYSA-N 331.351 1.730 0 40 EDAB COC(=O)[C@@H]1SC[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)N21 4106646 PNLQFJSQEJKGBE-KOLCDFICSA-N 326.761 1.723 0 40 EDAB O=C1COc2c(cccc2C(=O)N2CCCC[C@H]2Cn2cccn2)N1 69778282 WEVWTELAFGTZCZ-ZDUSSCGKSA-N 340.383 1.909 0 40 EDAB Cn1cnnc1Sc1ccc(NS(=O)(=O)c2c[nH]cn2)cc1 69774212 NBDQMGLYRYOXGT-UHFFFAOYSA-N 336.402 1.490 0 40 EDAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccccc1 6096622 CUVKAUWOMPJEMI-ZWKOTPCHSA-N 333.391 1.936 0 40 EDAB biogenic,in-vitro CCOc1ccc(CN(C)C(=O)COC(=O)c2nccnc2N)cc1 5040509 YPOQQMQFFMCILW-UHFFFAOYSA-N 344.371 1.273 0 40 EDAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN(C)CC1OCCO1)CC3 5047251 YLXLQGSKJOMMDL-UHFFFAOYSA-N 343.427 1.666 0 40 EDAB biogenic CNC(=O)NC(=O)[C@H](C)NCC1(c2cccc(OC)c2)CCCC1 69895544 UJGNOIKIQKZBOB-ZDUSSCGKSA-N 333.432 1.941 0 40 EDAB COC[C@H](C)NC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 65423157 KAYGGBACDWHAEL-GXTWGEPZSA-N 325.409 1.295 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCN(c2nccs2)CC1 14098930 ZNBUJDIBYNEDAJ-UHFFFAOYSA-N 328.419 1.259 0 40 EDAB Cc1c(CC(=O)NCc2ccccn2)c(=O)oc2cc(O)cc(O)c12 5351775 HLSLKOQVPPAATB-UHFFFAOYSA-N 340.335 1.767 0 40 EDAB O=C1CCC(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)=NN1 65608181 FPCWHYIGCMHHFR-OAHLLOKOSA-N 348.834 1.859 0 40 EDAB O=C(Cc1ccc(F)cc1)NCCNS(=O)(=O)C1CCCC1 65612436 WWJKFUOEOXDOQZ-UHFFFAOYSA-N 328.409 1.346 0 40 EDAB O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)NCC2(O)CCC2)C1 96005482 UGXCAEFVABTHSH-CQSZACIVSA-N 344.477 1.002 0 40 EDAB C[C@@H]1C[C@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CC(=O)N1 96003976 SJUDYZGOAKHIFE-HIFRSBDPSA-N 335.448 1.152 0 40 EDAB CCN(CCO)C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 96011046 CGZPTTRNMWPXEM-OKZBNKHCSA-N 331.460 1.921 0 40 EDAB O=C(CN1CCN(C(=O)CCc2ccccc2)CC1)NC1CCCC1 71185747 OFDDNBHRHISXKN-UHFFFAOYSA-N 343.471 1.822 0 40 EDAB Cc1n[nH]cc1CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 68237990 INEPFRLVIHHROM-LLVKDONJSA-N 342.355 1.116 0 40 EDAB C[C@H]1CCCN(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 68837818 QQNBDXCMDQJSLI-ZDUSSCGKSA-N 339.461 1.072 0 40 EDAB COC(=O)c1cc(CNC(=O)Cc2c(C)noc2C)ccc1OC 19598084 GSONUPQQXVDTFJ-UHFFFAOYSA-N 332.356 1.946 0 40 EDAB O=C1CCC(=O)N1CCN1CCN(CCc2ccccc2F)CC1 97162640 FDQCBOGVVIJSRP-UHFFFAOYSA-N 333.407 1.135 0 40 EDAB COc1ccc([C@H](O)CN2CCN(C[C@H](O)C(C)(C)C)CC2)cc1 71871700 NGBZTYTVAUMZNS-MSOLQXFVSA-N 336.476 1.753 0 40 EDAB CN(C)C(=O)CN(C)C(=O)C1(c2ccc(Cl)cc2)CCOCC1 71828341 HZVQXQIRQMGTLH-UHFFFAOYSA-N 338.835 1.935 0 40 EDAB CCCCNC(=O)Cc1noc(CN2CC(n3cc(C)cn3)C2)n1 71876805 RNLUQRGMSIXWEJ-UHFFFAOYSA-N 332.408 1.090 0 40 EDAB C[C@@H](CN1CCN(C)CC1)NC(=O)NCC1(c2ccccc2F)CC1 71914624 QKWDSYOQVKMIDL-HNNXBMFYSA-N 348.466 1.792 0 40 EDAB O=C(O)c1cc(F)c(F)cc1NS(=O)(=O)c1cncc(F)c1 97212254 RVKHDEFSEDULNA-UHFFFAOYSA-N 332.259 1.998 0 40 EDAB COC(=O)CNC(=O)Cn1cc(OCc2ccccc2)c(=O)cc1C 72406496 WFVUKLCWBNKNSR-UHFFFAOYSA-N 344.367 1.025 0 40 EDAB CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cnc2[nH]nc(C)c2c1 95461394 WKEMHILCGAWGPM-JDNHERCYSA-N 333.392 1.118 0 40 EDAB C[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)N1CCOC[C@@H]1C 95402863 DGFAFJPTNPGBII-RYUDHWBXSA-N 332.853 1.826 0 40 EDAB C[C@H](C(=O)NC(=O)NCc1ccccc1)N(C)CCCn1ccnc1 95427837 WSUHYEHJOOXKCV-OAHLLOKOSA-N 343.431 1.620 0 40 EDAB C[C@@H]1C[C@H](NCc2ccccc2OCCN2CCOCC2)CN1C 95421115 PZCPZEUSNFAITD-AEFFLSMTSA-N 333.476 1.580 0 40 EDAB COc1ncncc1NC(=O)C(=O)N[C@H](C)c1cc(C)sc1C 95461296 LCZKYUMLONQEOT-SECBINFHSA-N 334.401 1.979 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)C[S@](=O)c2cccc(F)c2)C1 95966745 POXLUJQIBFWPSO-MCMMXHMISA-N 326.393 1.060 0 40 EDAB CCCn1nc(C)c(CN2CCC[C@@H](NS(C)(=O)=O)C2)c1C 95982593 JHVKGSYXHJBRHS-CQSZACIVSA-N 328.482 1.424 0 40 EDAB CCOc1ccc(-n2ncc(C(=O)N3CCN(C)C[C@@H]3C)c2C)nn1 89269787 DBICFCAUDNSRMI-LBPRGKRZSA-N 344.419 1.146 0 40 EDAB COc1ccncc1NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 89484095 GKPKDDAMGDZNKJ-HNNXBMFYSA-N 341.367 1.456 0 40 EDAB Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2CN(C)CCO2)n1 89595803 GFBDPKDJZXRKAF-QGZVFWFLSA-N 328.416 1.436 0 40 EDAB COC(=O)CN(Cc1cnn(C)c1)C(=O)COc1cccc(F)c1 75137274 CISXMPMMUSESMO-UHFFFAOYSA-N 335.335 1.140 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1CO[C@@H]2CN(Cc3ccsc3)C[C@H]12 306140374 URKNREOBFBLDNL-ZMSDIMECSA-N 345.468 1.963 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cn2cc(Cl)cn2)o1 27982097 SZRXSURQQOAHCW-JTQLQIEISA-N 343.792 1.095 0 40 EDAB COc1cc(C)c(S(=O)(=O)CCN2CCOC2=O)cc1OC 69885345 SHOLBGAIEFUQIZ-UHFFFAOYSA-N 329.374 1.238 0 40 EDAB O=C(NCCOC1CCCC1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 514655329 BPYDOTJNONEFGU-INIZCTEOSA-N 344.477 1.556 0 40 EDAB CN1C(=O)CO[C@H](C(=O)Nc2ccon2)[C@H]1c1ccc(Cl)cc1 72241414 BYEIQGAKGPFQCU-KGLIPLIRSA-N 335.747 1.865 0 40 EDAB Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)n1C 79042713 BGUNWMJMEUEOKK-LLVKDONJSA-N 341.458 1.378 0 40 EDAB CCCNC(=O)c1ccc(N2CCC[C@H](NC(=O)OCC)C2)nc1 79029451 QLZAXICLYZKPKN-AWEZNQCLSA-N 334.420 1.936 0 40 EDAB Cn1nccc1CN1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 72327371 MHIFMDSKMLWWQZ-DZGCQCFKSA-N 335.411 1.719 0 40 EDAB COCc1nc(N2CCCC2)ncc1C(=O)Nc1c(C)nn(C)c1C 72265511 CPJLNECLDNKXMS-UHFFFAOYSA-N 344.419 1.826 0 40 EDAB COCc1nc(N2CCOCC2)ncc1C(=O)NCc1ccccc1 72265504 NXZCZNFCIFMFPI-UHFFFAOYSA-N 342.399 1.390 0 40 EDAB Cn1c(=O)n(C)c2cc([C@H](NC(=O)c3ccccc3)C(=O)O)ccc21 30834297 WSFYSOJAQNQHTL-HNNXBMFYSA-N 339.351 1.433 0 40 EDAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)NC2CCCC2)n1 72339969 IOJBGXVSMYIMSF-CYBMUJFWSA-N 343.431 1.880 0 40 EDAB C[C@H]1OCc2cc(=O)n(CC(=O)NCc3ccc(Cl)cc3)nc21 72342377 DPCYDULPMUYRLJ-SNVBAGLBSA-N 333.775 1.804 0 40 EDAB CNC(=O)CN1CCC(NC(=O)CCCc2ccc(OC)cc2)CC1 61158430 LIYFIGGDHQZSON-UHFFFAOYSA-N 347.459 1.345 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)c1nc(SC)ncc1Cl 41156649 DEGPTJMQJGYQQE-QMMMGPOBSA-N 349.865 1.876 0 40 EDAB CN1CCN(CCNC(=O)c2cc(C(F)(F)F)nn2C)CC1(C)C 574031372 DPUKHRGRFIQADU-UHFFFAOYSA-N 347.385 1.195 0 40 EDAB CN(C)C(=O)CN1CCC(NC(=O)c2cccc3cc[nH]c23)CC1 80180718 ASTNQGPMSNBNBD-UHFFFAOYSA-N 328.416 1.450 0 40 EDAB Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H]4CN(C)CCO4)C3)[nH]c2c1 85517266 DAOOBGKQIXVGRA-PBHICJAKSA-N 342.443 1.908 0 40 EDAB C[C@@H]1CN(C)C[C@H](c2nc(-c3cccc(N4CCNC4=O)c3)no2)O1 527544362 CDVRETCXANZNPE-BXUZGUMPSA-N 343.387 1.658 0 40 EDAB CC1(C)CN(C(=O)NCc2nnnn2CC2CC2)[C@H]1[C@@H]1CCCO1 572086444 NLILJVFHGGGVGX-JSGCOSHPSA-N 334.424 1.182 0 40 EDAB O=C(Nc1cccc2c1OCO2)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 576677388 SRDKAZYFEMGIIH-DGCLKSJQSA-N 338.385 1.599 0 40 EDAB CC(C)NC(=O)N1CCn2cc(CN(C)Cc3cccnc3)nc2C1 96197497 VUHTTWRXRCHUCN-UHFFFAOYSA-N 342.447 1.844 0 40 EDAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(-n2cncn2)nn1 96097857 IWXOTFXKXKBTPT-UHFFFAOYSA-N 327.373 1.645 0 40 EDAB CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccc(OC)cc1)CC[C@H]2OC 96108520 XBGBNIJVCRNXMG-RCCFBDPRSA-N 332.444 1.805 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccncc2)C1 96057714 MZCJTDSDWICXOM-CGTJXYLNSA-N 341.411 1.970 0 40 EDAB CCC1=C(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)CCCO1 583621330 RGVUWQCKVTTWND-KRWDZBQOSA-N 334.420 1.753 0 40 EDAB C[C@@H](Cc1ccc(F)cc1)NC1CCN(CCS(C)(=O)=O)CC1 96477405 HLCOOIMPYIIWGE-AWEZNQCLSA-N 342.480 1.855 0 40 EDAB Cn1c([C@@H]2CCCN2C(=O)CCn2cnnn2)nc2ccccc21 583652684 GHDROBRGHWCKTI-AWEZNQCLSA-N 325.376 1.314 0 40 EDAB Cc1cc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)nn1C 96223818 LSHHIDVMMDJFRC-ZDUSSCGKSA-N 341.371 1.178 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](O)[C@@H]1Cc1ccncc1 96200286 YYNQMOPGWKLULF-LSDHHAIUSA-N 326.352 1.628 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)N2CCn3ccnc3C2)[C@@H]1n1cccn1 579923917 MNKGUEMOKVUWPD-GUTXKFCHSA-N 330.392 1.024 0 40 EDAB Cc1noc(C)c1CN1CCO[C@@]2(CCCN(c3ncccn3)C2)C1 96226469 WMBSYCZEXYYKRX-SFHVURJKSA-N 343.431 1.953 0 40 EDAB O=C(c1ccno1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 96239732 AYGXLSIIWAAPHA-HNNXBMFYSA-N 349.341 1.843 0 40 EDAB CN(C(=O)c1cnc2ccccn12)[C@H]1CS(=O)(=O)c2ccccc21 96483736 KLKPLHJKLMRTNS-AWEZNQCLSA-N 341.392 1.935 0 40 EDAB Cc1ccc(OCCC(=O)NC[C@H](C)N2CCN(C)CC2)cc1C 96403434 QNGJSUSKIYGYMN-KRWDZBQOSA-N 333.476 1.824 0 40 EDAB COCCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)NCc1cccc(F)c1 96245816 IRZZTJFSLKXILT-LSDHHAIUSA-N 335.379 1.357 0 40 EDAB CC[C@@H](CNS(=O)(=O)Cc1ccon1)N1CCc2ccccc2C1 96427679 VIOYUPOJBTXGHD-KRWDZBQOSA-N 349.456 1.931 0 40 EDAB CC(C)c1nc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)cn1C 584457149 MYJYTPJNWVNTQJ-LLVKDONJSA-N 341.433 1.419 0 40 EDAB C1CC(COC[C@@H]2CCOC23CN(C2CCOCC2)C3)CCO1 247820555 CTWHIMSUQZDYHX-INIZCTEOSA-N 325.449 1.700 0 40 EDAB O=C(c1cnco1)N1CCOC[C@H](Cc2ccc3[nH]ncc3c2)C1 257287920 PSAISDKHRYLJDL-CYBMUJFWSA-N 326.356 1.882 0 40 EDAB CCS[C@@H]1CCC[C@H]1NC(=O)COCc1ocnc1C(=O)OC 585123505 BKMNMXDYKGHODL-ZYHUDNBSSA-N 342.417 1.768 0 40 EDAB NC(=O)[C@@H](F)C1CCN(CCC(=O)Nc2cccc(F)c2)CC1 585133188 AGDGRMCTXAAQST-HNNXBMFYSA-N 325.359 1.690 0 40 EDAB C[C@H]1CCCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CC1 585121812 AVRLENDIIWJOTO-HOCLYGCPSA-N 334.416 1.922 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)c3cc(CC(C)C)nn3C)CCO2)n1 257252925 JWRVWKSKPGBYLQ-MRXNPFEDSA-N 345.447 1.874 0 40 EDAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)NC2CC2)CC1 253445699 YCVMCFMMKOMHBV-UHFFFAOYSA-N 332.400 1.835 0 40 EDAB C[C@@]1(O)CCN(C(=O)c2cnccn2)C[C@H]1Oc1cccc(F)c1 257268384 MLLLYJIFNKOWMU-NVXWUHKLSA-N 331.347 1.660 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)CN2CCCCC2)n1 257268638 MMNXJSUMYYRROP-AWEZNQCLSA-N 333.436 1.213 0 40 EDAB COCc1ccc(C(=O)N2CCO[C@@H](c3cc(O)nc(C)n3)C2)cc1 257338254 YWQDFVFVYJFDHZ-MRXNPFEDSA-N 343.383 1.851 0 40 EDAB CCc1nnsc1C(=O)NCc1cnc(C)nc1[C@H]1CCCN1C 257329969 XMFUGDJRJBAKFN-CYBMUJFWSA-N 346.460 1.896 0 40 EDAB c1ccc(CO[C@H]2[C@@H]3COCCN3C[C@H]2NCc2cccs2)nc1 253595829 JKSLCDSVADZBPM-FGTMMUONSA-N 345.468 1.901 0 40 EDAB O=C(c1cccc(-n2cnnc2)c1)N1CCO[C@@H](c2cnccn2)C1 257341903 ZMJKXPBIGLTHLW-MRXNPFEDSA-N 336.355 1.271 0 40 EDAB C[C@@H](NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)c1cnn(C)c1 266784873 KPCXVYIJAHFVDZ-UKRRQHHQSA-N 343.435 1.582 0 40 EDAB O=C(c1cc2n(n1)CCCO2)N1CCN(Cc2cccnc2)CC1 90626749 INOOWEHKLTYHNV-UHFFFAOYSA-N 327.388 1.019 0 40 EDAB COC(=O)CCCNC(=O)CC[C@H]1NC(=O)c2ccccc2N=C1O 36593504 JXRWHPPCPJNHER-CYBMUJFWSA-N 347.371 1.236 0 40 EDAB biogenic C[C@@H]1CCC[C@]1(NS(=O)(=O)c1ccc(C(=O)O)cc1)C(=O)O 1615588037 NLQSKWGUPQDBIZ-YMTOWFKASA-N 327.358 1.307 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)C(C)(C)CCCO)cc1 1616042318 SAMQDXJSXNJHQX-UHFFFAOYSA-N 342.461 1.188 0 40 EDAB CCOc1ccc(CNC(=O)C(=O)NC[C@H]2CCCN2CC)cc1 298117957 SMJLIZBWEYHWID-OAHLLOKOSA-N 333.432 1.302 0 40 EDAB COc1ncc(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)cn1 585277532 WGSXMYLLSAVRIB-KRWDZBQOSA-N 329.356 1.141 0 40 EDAB O[C@]1(COc2cccc(F)c2)COCCN(Cc2ccncc2)C1 585269226 MCUHIIOHIKOOBZ-SFHVURJKSA-N 332.375 1.863 0 40 EDAB CN(C)C/C=C/C(=O)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O 585290134 SXKJPHJOAHEESM-IVXDBISESA-N 332.444 1.972 0 40 EDAB O=C(CCn1cccn1)NC[C@@H](c1cccs1)N1CCOCC1 44917007 ORLSFOMUIABOPZ-AWEZNQCLSA-N 334.445 1.524 0 40 EDAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CCS(C)(=O)=O)C1=O 53138674 KIKAYNYAELVQQV-KRWDZBQOSA-N 346.408 1.651 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)NCCCn1ccnc1C 59923678 PQIXRNFLWXFSLU-UHFFFAOYSA-N 335.429 1.805 0 40 EDAB CC(=O)COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 39654833 LCPJKWJGQBAKAA-CQSZACIVSA-N 325.386 1.362 0 40 EDAB Cc1nc(O)c2nnn(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)c2n1 12337286 PZEIIUGHZQGJFU-NSHDSACASA-N 332.408 1.520 0 40 EDAB O=S1(=O)CC[C@H](NC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 12739560 FZHKONYHLVEDDV-YQQAZPJKSA-N 339.457 1.218 0 40 EDAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCN1CCOCC1 12925541 MNDLQAISDAVPFV-MRXNPFEDSA-N 348.447 1.281 0 40 EDAB Cc1ccnc(-n2cccc2CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)c1 19238222 FXUCZOMCLJQTCS-KBAYOESNSA-N 326.444 1.820 0 40 EDAB O=C(NCCn1nc([C@H]2CCNC2)c2nccnc21)[C@H]1CC=CCC1 19404425 POHXILHRTPYKRY-KBPBESRZSA-N 340.431 1.376 0 40 EDAB CN1CCc2nc3cc(C(=O)NC4CCCC4)ccc3c(=O)n2CC1 19590758 AOSLTCHWHKIWPT-UHFFFAOYSA-N 340.427 1.557 0 40 EDAB COCCOc1ncccc1CNC(=O)[C@@H]1C(=O)NC[C@H]1C(C)(C)C 606440715 TWMJDZIXPJQVQT-ZIAGYGMSSA-N 349.431 1.131 0 40 EDAB Cc1c([C@@H](NS(=O)(=O)c2ccccc2Cl)C(=O)O)cnn1C 530540827 HUOPHUQGHOIXHJ-GFCCVEGCSA-N 343.792 1.486 0 40 EDAB O=C(NCC1(N2CCOCC2)CCC1)c1cccc2c1OCCO2 1888843146 NAQRCEJSLMRSGZ-UHFFFAOYSA-N 332.400 1.443 0 40 EDAB Cn1cc(C(=O)N2CCC[C@](O)(COc3ccccc3)CC2)cn1 2037905538 ACYLEWHAPWNISI-GOSISDBHSA-N 329.400 1.856 0 40 EDAB O=C(NCc1nnc2c(O)nccn12)c1ccc2ncsc2c1 253402371 OEETXIGDZPFUNW-UHFFFAOYSA-N 326.341 1.370 0 40 EDAB COc1cccc(NC(=O)COc2cccc3c2CCNC3=O)c1 4851126 VWFREEVOVBJZQL-UHFFFAOYSA-N 326.352 1.999 0 40 EDAB COCCn1c(SCC(N)=O)nc2c([nH]c3ccccc32)c1=O 5106648 UPAJOMJDVJLNRU-UHFFFAOYSA-N 332.385 1.102 0 40 EDAB CS(=O)(=O)c1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1 12234849 KIMRIDPGLDXTSZ-UHFFFAOYSA-N 344.392 1.618 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1c(O)nc2sccn2c1=O 16690009 KHMCSOAXMBMWQA-UHFFFAOYSA-N 345.336 1.120 0 40 EDAB CNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3C)c2c1=O 22768127 IRVGFTSEYDGGSE-UHFFFAOYSA-N 337.383 1.514 0 40 EDAB CC(=O)Nc1ccc(NC(=O)C(=O)NCCn2nc(C)cc2C)cc1 38946193 QUXUDCVTLKNDLI-UHFFFAOYSA-N 343.387 1.213 0 40 EDAB O=C(COc1ccc(Cl)cc1)N1CC(N2C(=O)CSC2=O)C1 575609895 AGZDBXYCZFKNIW-UHFFFAOYSA-N 340.788 1.625 0 40 EDAB Cc1ccc(C(=O)N2CC(Oc3cc(C)nc4ncnn34)C2)c(C)c1 618256495 SDWRPOYPDHLYLT-UHFFFAOYSA-N 337.383 1.953 0 40 EDAB Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1cccc2nn[nH]c12 97103914 AAQJOUQHTUESAR-MRXNPFEDSA-N 335.367 1.580 0 40 EDAB COc1ccc(N2C[C@H](C(=O)Nc3cnn(C)c3)CC2=O)cc1OC 40512492 ZZCGCHAKBNELKN-LLVKDONJSA-N 344.371 1.429 0 40 EDAB Cc1nc(-c2ccccn2)sc1C(=O)NCCN1CCOCC1 31867998 VJZJMIRGYAMCCV-UHFFFAOYSA-N 332.429 1.576 0 40 EDAB CC1CCN([C@@H](CNC(=O)Cn2cnnn2)c2ccccc2)CC1 69453938 BQCOONJVVHKLIG-INIZCTEOSA-N 328.420 1.263 0 40 EDAB CCC(=O)N1CCCC[C@H]1C(=O)Nc1nc(CC(=O)OC)cs1 69419569 JGVZJYGRILOTII-NSHDSACASA-N 339.417 1.588 0 40 EDAB COC(=O)[C@H]1CSC[C@H](c2ccccc2)N1CC(=O)NC(C)C 76017761 RENKLKZGYWCDFM-HUUCEWRRSA-N 336.457 1.843 0 40 EDAB O=c1[nH]c(N2CCC[C@H](CO)C2)nc2c1cnn2-c1ccccc1 78804487 HDYCVSHFULPQHL-LBPRGKRZSA-N 325.372 1.318 0 40 EDAB O=C(Nc1cnn(-c2ncccn2)c1)N1CCN(C2CCCC2)CC1 78964776 JRSZIMAPNFLWEY-UHFFFAOYSA-N 341.419 1.754 0 40 EDAB NC(=O)C1(NC(=O)c2cccc(N3CCCC3=O)c2)CCCCC1 78945059 VUXXMCFTTXAEIX-UHFFFAOYSA-N 329.400 1.731 0 40 EDAB Cn1cc(N2CCN(c3ncnc4ccc(F)cc34)CC2=O)cn1 79021867 QFZXZXDPEMOQFX-UHFFFAOYSA-N 326.335 1.356 0 40 EDAB CN(CCN1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 96007663 PKHKLAGRTYTNSC-UHFFFAOYSA-N 337.367 1.817 0 40 EDAB COCCNC(=O)CSc1nnc2c3cc(C)ccc3n(C)c2n1 4856305 RZYCXZXXHYDQJV-UHFFFAOYSA-N 345.428 1.680 0 40 EDAB COc1ccc(-n2cccc2/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1 4935001 AVIYCXFQZQTHPC-NTEUORMPSA-N 341.323 1.463 0 40 EDAB CC(=O)NCCCNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 46905544 MBMIESYHSLOQNF-HNNXBMFYSA-N 347.415 1.831 0 40 EDAB CCn1cnnc1CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 47020767 FXLMMUAQCSPBJX-GFCCVEGCSA-N 347.444 1.528 0 40 EDAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O 53140646 SUUHMLMRYNRYHD-CQSZACIVSA-N 344.820 1.542 0 40 EDAB CNC(=O)C1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 23195679 DSZUSPSNGGDXLF-UHFFFAOYSA-N 343.387 1.049 0 40 EDAB Cc1cc(N2C[C@@H](C(=O)N[C@@H](C)c3ncon3)CC2=O)ccc1F 97079750 AOHWPJRNFAAKGH-QWRGUYRKSA-N 332.335 1.747 0 40 EDAB COCCN1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)CC1 42565573 BJJXGPNVTDUYHX-JKSUJKDBSA-N 349.475 1.525 0 40 EDAB CN(C)[C@@H](CNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccco1 47648108 BIAZSBKEUODPRW-JTQLQIEISA-N 330.310 1.914 0 40 EDAB O=C(NCc1ccc(-n2cccn2)nc1)c1ccnc(-n2cncn2)c1 54673530 DZNGXTYUJISOQJ-UHFFFAOYSA-N 346.354 1.173 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C)COC)c1 23981192 RURHNAFRVSBTTM-NSHDSACASA-N 346.424 1.621 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)COc1ccc(F)cc1 24676864 NHENAYFLQXCAOO-ZDUSSCGKSA-N 344.408 1.135 0 40 EDAB NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1cccc(F)c1F 106185708 GJGDCMSSHAWBIW-DLOVCJGASA-N 344.383 1.772 0 40 EDAB COc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1OC 106838857 MKWCOAOAWIWWQC-LSDHHAIUSA-N 349.431 1.366 0 40 EDAB COc1c([C@@H]2CCCN2[C@H](C)C(=O)Nc2ncccn2)c(C)nn1C 106908311 YRNPMXFESNFWEW-OLZOCXBDSA-N 344.419 1.691 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(Cc2nc(-c3ccco3)no2)C1=O 44123332 NZRWWEYHLXZVCY-OAHLLOKOSA-N 328.284 1.890 0 40 EDAB CC(C)c1ccc(CN2CCN(CCS(N)(=O)=O)CC2)cc1 72289851 DSWZKBPFKQIVNA-UHFFFAOYSA-N 325.478 1.216 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)c2ccc(C(N)=O)cc2)c(C)nn1C 72234271 KSFBPGAQHRXUFQ-AWEZNQCLSA-N 342.399 1.813 0 40 EDAB C[C@@H]1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CCO1 72296464 XZXHTOIMPXNPOI-ZIAGYGMSSA-N 341.452 1.175 0 40 EDAB C[C@@H]1CN(C[C@H]2CCOC2)C[C@@]12CCN(Cc1cccnc1)C2=O 107219599 FHDVCRWSNLYUQN-SUMDDJOVSA-N 329.444 1.789 0 40 EDAB Cc1ncc2c(n1)CCN(C(=O)NCc1ccc3c(c1)OCO3)C2 48278892 NBJZDOHDNBNQLB-UHFFFAOYSA-N 326.356 1.782 0 40 EDAB COCCN(C(=O)C1CCN(C(=O)C2CC2)CC1)[C@H](C)COC 58154311 UZCUAKWVYIOWAD-CYBMUJFWSA-N 326.437 1.145 0 40 EDAB COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCOC(C)(C)C1 58283155 WINYGKOVQVPHTD-UHFFFAOYSA-N 347.820 1.926 0 40 EDAB CCOC(=O)N[C@@H](C(=O)Nc1cnc2c(c1)c(C)nn2C)C(C)C 58225023 XYZWMHXQTYPKEK-CYBMUJFWSA-N 333.392 1.986 0 40 EDAB C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N1CCOCC1 58210059 FFOKCJIQWAQNNR-AWEZNQCLSA-N 342.395 1.582 0 40 EDAB O=C(NCCNc1ncccn1)[C@H]1CC(=O)N(c2ccccc2F)C1 44942936 LONLKPPNMQIJMN-LBPRGKRZSA-N 343.362 1.197 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@H](C)[C@H]2CCCO2)nn1-c1ccccc1F 27875527 YCQSBZOMWOLLDQ-MLGOLLRUSA-N 345.374 1.977 0 40 EDAB Cc1ccc(N(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 58367098 FRJQJPQFXGUCAM-INIZCTEOSA-N 338.473 1.855 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1ncnc2c1cnn2C 45026462 WWUOWVIYIPGJMS-JTQLQIEISA-N 346.416 1.208 0 40 EDAB CN1CC[C@@H](C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1=O 45056156 FXPBXYMTEDJGAV-MRXNPFEDSA-N 326.400 1.416 0 40 EDAB Cc1ccccc1CN1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 28081685 LYQGWWVEFJRVJR-UHFFFAOYSA-N 344.459 1.443 0 40 EDAB O=C(Nc1ccn(Cc2cccnc2)n1)c1ccc(-n2cnnn2)cc1 58438317 AZQHYTYMMYEIKS-UHFFFAOYSA-N 346.354 1.554 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCCc1ccccn1 48315188 NTFKJFBGKAIMKI-UHFFFAOYSA-N 349.394 1.437 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)c(C)c1 12871366 APCSYBWHAQBDQM-AWEZNQCLSA-N 332.400 1.908 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1ccc3c(c1)OCCCO3)CC2 62640119 JOFYAMAEKGMNHG-CYBMUJFWSA-N 328.372 1.493 0 40 EDAB O=C(NC[C@@H]1CN(c2ncc(F)cn2)Cc2ccnn21)N1CCCC1 306144290 ZBMUNAHHIBMNFR-CQSZACIVSA-N 345.382 1.179 0 40 EDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 69529787 XFFIEXQOGXLIQR-DGKWVBSXSA-N 340.427 1.911 0 40 EDAB CC(=O)N1CCC(NC(=O)COc2ccc3c(c2)CCCC3=O)CC1 69514113 GHLUPWCRLPTCQT-UHFFFAOYSA-N 344.411 1.712 0 40 EDAB CCN(CC)CCNc1nc2c(c(O)nc(=O)n2C)n1CC(C)C 19526421 ZGKOZSMDPRWWLW-UHFFFAOYSA-N 336.440 1.245 0 40 EDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1 69616445 OUDGSFRTHPRYMC-HOTGVXAUSA-N 342.505 1.819 0 40 EDAB CCNC(=O)NC(=O)CN1CCN([C@@H](C)c2cccc(OC)c2)CC1 69600520 ZWUCTWLACVRPCK-AWEZNQCLSA-N 348.447 1.220 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)N1CCc2sccc2C1 69630336 YZDRUNQJXBJCPB-AWEZNQCLSA-N 345.472 1.637 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)c2ccnc(C)n2)CC1 69743501 PTEGBTIJHNZODK-UHFFFAOYSA-N 328.420 1.350 0 40 EDAB O[C@@H](COc1ccccc1)CN1CCN(C[C@H]2CCCCO2)CC1 69771484 KBKXRSDTTCMYTH-IEBWSBKVSA-N 334.460 1.613 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1cn(C)nc1C(F)(F)F)C2 69739239 OAXBPYDJSVVCDZ-UHFFFAOYSA-N 342.325 1.810 0 40 EDAB CC(=O)NCCCNC(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 65444446 JIGNQCHDAVPSOB-LBPRGKRZSA-N 335.404 1.734 0 40 EDAB CCn1c(S[C@H](C)C(=O)N2CCNC2=O)nnc1-c1ccco1 14075532 CPEJFPHHBLRHQV-SECBINFHSA-N 335.389 1.590 0 40 EDAB CCOc1ccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 65584837 XOUYCAYIPGAJPQ-CYBMUJFWSA-N 341.433 1.631 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H](C)OC[C@H]2CCCO2)cc1 65592459 LCSASXGPYRCLIT-CZUORRHYSA-N 334.416 1.589 0 40 EDAB Cc1nc(COC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)no1 69892882 PHJLBXGXWUUMLO-UHFFFAOYSA-N 329.312 1.384 0 40 EDAB CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C 4502178 WWPRRWKZTUPULE-GFCCVEGCSA-N 343.383 1.345 0 40 EDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccon2)C1=O 8727836 LEBLKTIIEUZVMU-INIZCTEOSA-N 328.328 1.470 0 40 EDAB COc1cc(OC)c(C(=O)OCC(=O)NC(=O)C(C)C)cc1OC 6859773 DCRPZRQZRQOMDK-UHFFFAOYSA-N 339.344 1.168 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)CSc2ncnc3sccc23)C1 8921654 QCBVAOGRTPIDDY-VIFPVBQESA-N 336.442 1.507 0 40 EDAB CCS(=O)(=O)NCCn1nnc(-c2cccc(C(F)(F)F)c2)n1 68043345 UXDRYHRFKBORMM-UHFFFAOYSA-N 349.338 1.298 0 40 EDAB Cc1ccc(C(=O)OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1C 7605633 UMCPZOMENQRQNS-INIZCTEOSA-N 339.413 1.154 0 40 EDAB O=S(=O)(CCN1CCO[C@H](Cn2cccn2)C1)c1ccccc1 69376400 SYNWUTWXOBSGFS-HNNXBMFYSA-N 335.429 1.058 0 40 EDAB COC(=O)C1=C(O)c2sc(-c3ccco3)cc2S(=O)(=O)N1 96190747 PBIKSUJEKDJKMC-UHFFFAOYSA-N 327.339 1.700 0 40 EDAB Cn1c(CCCNC(=O)c2ccn3nnnc3c2)nc2ccccc21 96230912 RERLRJYCNWQNPM-UHFFFAOYSA-N 335.371 1.374 0 40 EDAB O=C(CNC(=O)Cc1ccccc1)NC[C@H]1COc2ccccc2O1 9479152 MLXUDEOLFZWUJG-HNNXBMFYSA-N 340.379 1.302 0 40 EDAB Cc1cccc(C)c1-n1nnnc1S[C@@H](C)C(=O)N1CCNC1=O 9499973 FFMIKHIVOIWRRZ-NSHDSACASA-N 346.416 1.312 0 40 EDAB NC(=O)CSCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71821598 CVNIJAFEHRCZLT-GFCCVEGCSA-N 328.821 1.458 0 40 EDAB O=C1[C@H]2CCCCN2C(=O)N1C[C@@H](O)COc1ccc(Cl)cc1 71877710 NQFNEFRGPPLKJY-TZMCWYRMSA-N 338.791 1.896 0 40 EDAB Cc1ccnc2nc(C(=O)N3CCCC[C@H]3Cn3cccn3)nn12 71865174 PSUXXWOFOBHXHR-ZDUSSCGKSA-N 325.376 1.324 0 40 EDAB O=C(c1csc(-c2nc[nH]n2)n1)N1CCC[C@@H]1Cn1cccn1 71866784 SHGCPPKWSIUBNU-SNVBAGLBSA-N 329.389 1.430 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1nccn1C 71903354 UXZJGOLGRZAGKJ-ZFWWWQNUSA-N 349.456 1.839 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)[C@@H](C)Oc2cccnc2)cc1F 71910363 PLBXPFDXJGIDDP-CYBMUJFWSA-N 345.374 1.843 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)NCCC[S@@](C)=O)n1 84793520 FVIMDKSMUMHMFA-NRFANRHFSA-N 333.435 1.139 0 40 EDAB CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CCOCc2ccccc2)O1 95460078 YZHVRIVZQVYCLI-HOTGVXAUSA-N 334.416 1.345 0 40 EDAB CNC(=O)[C@@H](C)CN(C)C(=O)NC[C@H](c1cccs1)N(C)C 95406619 FHNBPKBFGTYXDW-NWDGAFQWSA-N 326.466 1.374 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)N[C@H]1COc2ccccc2C1=O 95444696 ZDGICMWMZOEZST-KBPBESRZSA-N 330.384 1.538 0 40 EDAB C[S@@](=O)CCCNc1nc2ccccc2nc1N1CCOCC1 95978524 OFEWWFDMBDXQSD-QHCPKHFHSA-N 334.445 1.647 0 40 EDAB CC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@H]1c1ccccc1 74285089 WZWILWPGLXIYCQ-GDBMZVCRSA-N 338.473 1.920 0 40 EDAB Cc1ccc(CNC(=O)Nc2ccc(N3CCOCC3)nc2)n1C 89652240 PAZXOXYPCQBBBD-UHFFFAOYSA-N 329.404 1.887 0 40 EDAB O=C1NC[C@@H](C(=O)NCc2ccc(COCC(F)(F)F)cc2)N1 89787745 ORMRJBGEEOSSGN-NSHDSACASA-N 331.294 1.063 0 40 EDAB COC[C@H](C)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)O 217566866 GWYQXKITUBJKPD-JTQLQIEISA-N 344.433 1.908 0 40 EDAB O=C(NCc1ccc2c(c1)CCS2(=O)=O)[C@@H]1CCn2cncc2C1 532763837 TURWHRRCHKRQST-CQSZACIVSA-N 345.424 1.092 0 40 EDAB CC(C)N1CCC(N(C)C(=O)c2cnc3n(c2=O)CCS3)CC1 43114202 FAYSCVMRIDFULS-UHFFFAOYSA-N 336.461 1.294 0 40 EDAB CC(C)(CNC(=O)c1c(O)cc(F)cc1F)N1CCS(=O)CC1 77614897 FWRIBZVWPZFCTP-UHFFFAOYSA-N 346.399 1.243 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC(C)(c3nc(C)no3)CC2)CC1 72367473 XEMWAYBARNRLCG-UHFFFAOYSA-N 336.436 1.105 0 40 EDAB O=C(NCc1cnn2ccccc12)[C@H]1CC12CCS(=O)(=O)CC2 557575827 CEJSVGDVWFKATA-CYBMUJFWSA-N 333.413 1.165 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCCn2ccnc2)[C@@H]1c1cccc(Cl)c1 79359194 JCQQBFVCQQBCTH-ZBFHGGJFSA-N 346.818 1.872 0 40 EDAB COC(=O)CCSc1nnc(CSc2nc(C)cc(=O)[nH]2)o1 72408116 AETSOZBFDAJHSV-UHFFFAOYSA-N 342.402 1.409 0 40 EDAB CCNC(=O)[C@@H]1CC(=O)Nc2[nH]c(N3CCCC[C@H]3CC)nc(=O)c21 139113889 KCUIPDAMCAQWSZ-GHMZBOCLSA-N 347.419 1.101 0 40 EDAB CC(C)N1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225468218 RQFJDLMNGNAKLM-UHFFFAOYSA-N 325.478 1.667 0 40 EDAB biogenic,in-vitro CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 61475378 UBMZINGLJKWTRD-UHFFFAOYSA-N 325.434 1.287 0 40 EDAB C[C@@](O)(CNS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 77174556 YGBROZNCMDSPDW-CQSZACIVSA-N 341.410 1.663 0 40 EDAB CS(=O)(=O)NCC(=O)N1CCC[C@H]1Cc1cccc2ccccc12 61529878 IYOQGLRMTMBQKB-INIZCTEOSA-N 346.452 1.923 0 40 EDAB COc1ccc(CC(=O)NCc2ccnc(N3CCCC3)n2)cc1 224198293 FBFKSAGMJNCATM-UHFFFAOYSA-N 326.400 1.944 0 40 EDAB CCS(=O)(=O)N1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1 96239597 YZGVLBDVCFJOEY-CQSZACIVSA-N 345.415 1.969 0 40 EDAB COCCNC(=O)[C@@H]1C[C@@H]2CCN(Cc3scnc3C)C[C@@H]2O1 96040988 LTJYJGJTQZPMOE-IHRRRGAJSA-N 339.461 1.194 0 40 EDAB Cn1c(C(=O)NCC(F)(F)F)nc2c1CCN(c1ncccn1)C2 96062704 REMJQJOTWDKGAX-UHFFFAOYSA-N 340.309 1.065 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)Cn1cnc3ccccc3c1=O)C2 97198799 NOUYUGFBBRVWSR-ZDUSSCGKSA-N 337.383 1.033 0 40 EDAB CC(C)[C@H](Cn1nccn1)NS(=O)(=O)c1ccccc1Cl 238824743 DLVMVRFTSQFORJ-LBPRGKRZSA-N 328.825 1.935 0 40 EDAB O=C([C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@@H]12)N1CCC(F)CC1 96038631 PWPOXAXZKMTVTM-KBAYOESNSA-N 347.434 1.737 0 40 EDAB Cc1ncc2c(n1)CC[C@H](NC(=O)c1cc(O)nc(C3CC3)n1)C2 578664222 GLYPYKVZBZVTSZ-LBPRGKRZSA-N 325.372 1.445 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(C(=O)c1ccoc1)CC2 96199854 KHJPBVMEDWFGFK-OAHLLOKOSA-N 342.399 1.634 0 40 EDAB c1ccc(CCNC[C@H]2Cn3nnc(-c4cncnc4)c3CO2)cc1 96199266 ZLKCPZPFDZSZKE-INIZCTEOSA-N 336.399 1.466 0 40 EDAB O=C1CC[C@]2(CCCN(c3ncccn3)C2)N1CCN1CCCC1 96071230 FDMNMWRQJCJHET-SFHVURJKSA-N 329.448 1.534 0 40 EDAB COCC(=O)N1CCC2(CC1)CO[C@H](COCc1cccnc1)C2 96106151 IJTSDZWMAJVVSQ-INIZCTEOSA-N 334.416 1.642 0 40 EDAB Cc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C)nn3C)OCC(=O)N2C)cc1 96181413 CLMRAAIMONQTDQ-IAGOWNOFSA-N 342.399 1.574 0 40 EDAB CS(=O)(=O)N1CCc2c(NC(=O)NC3C[C@H]4C[C@@H]4C3)cccc21 580067313 GCTJEOJLGZLREK-GHMZBOCLSA-N 335.429 1.929 0 40 EDAB CCS(=O)(=O)N1CCN(CCn2cccn2)c2nc(C)ccc2C1 96199115 XLXXUTXNFCFYDT-UHFFFAOYSA-N 349.460 1.258 0 40 EDAB COc1cc(C(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)ccc1Cl 583617845 YYJOQSJWQDSHRC-OAHLLOKOSA-N 336.779 1.591 0 40 EDAB COCCN1C[C@H](COC)C2(CCN(c3ncc(F)cn3)CC2)C1 247846854 MZJFDCBSJZXNCV-CQSZACIVSA-N 338.427 1.427 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257274526 NLLKWPGDHSBZPR-UHFFFAOYSA-N 340.387 1.497 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)Cc1csc(C)n1 257228073 FSEFYGIZONCWNN-MRXNPFEDSA-N 345.428 1.048 0 40 EDAB O=C(Cc1cccs1)NCCn1nnc2ccc(F)cc2c1=O 253398883 HUICNFMEVYDJDK-UHFFFAOYSA-N 332.360 1.351 0 40 EDAB CC[C@@H]1C(=O)NCCN1Cc1sc(N2CCOCC2)nc1Cl 585116925 MLWWBJUHEICCCQ-SNVBAGLBSA-N 344.868 1.344 0 40 EDAB CN1C(=O)CO[C@H]2CCN(C(=O)c3cccc4ncccc34)CC[C@@H]21 257259052 KWQKOGTWVDCCDA-IRXDYDNUSA-N 339.395 1.697 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)CCO1 257278095 OATVXRDJQJHDEV-MRXNPFEDSA-N 338.411 1.690 0 40 EDAB CCc1noc(CCC(=O)N2CCNC[C@H]2c2ccc(OC)cc2)n1 257238147 HJUOGURKVZXQFH-HNNXBMFYSA-N 344.415 1.746 0 40 EDAB Cn1cncc1-c1cncc([C@H]2CCCN(C(=O)c3cncnc3)C2)n1 257208370 BLXXQIWGCNRPLI-ZDUSSCGKSA-N 349.398 1.687 0 40 EDAB CC(=O)NCc1cnc([C@H]2CN(C(=O)Cc3cccs3)CCO2)[nH]1 257275667 NQJBKEFGUPZKLE-CQSZACIVSA-N 348.428 1.250 0 40 EDAB O=C(c1cncs1)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 257303871 SJDATHKJCRSFDR-HUUCEWRRSA-N 329.425 1.387 0 40 EDAB Cn1nccc1[C@@H](NC(=O)[C@@H]1CCOc2c(F)cccc21)C(=O)O 1601032728 HIQUWJKWJBWBOY-ZWNOBZJWSA-N 333.319 1.367 0 40 EDAB COc1cc(F)c(S(=O)(=O)N(C)[C@@H](CO)C(C)(C)C)cc1OC 269699005 MCBDAITWMATENK-AWEZNQCLSA-N 349.424 1.870 0 40 EDAB COC(=O)CN1C(=O)S/C(=C/c2ccc(C(=O)OC)cc2)C1=O 205775270 CCMSOTPTBKMOPP-YRNVUSSQSA-N 335.337 1.683 0 40 EDAB Cc1cccc2c1OC[C@H](NC(=O)CNC(=O)c1cscn1)C2 1615579936 LXPXYLQVNPNQOQ-GFCCVEGCSA-N 331.397 1.301 0 40 EDAB CC[C@H]1c2cccn2CCN1C(=O)c1nnn(-c2ccn(C)n2)c1C 1615562690 FCKADLHHJQYFJT-ZDUSSCGKSA-N 339.403 1.718 0 40 EDAB CN(C[C@H]1CCCCN1Cc1ccccc1)c1cc(=O)n(C)c(O)n1 1615613071 OZRVDEPXUOQTQB-MRXNPFEDSA-N 342.443 1.977 0 40 EDAB CCN1CC[C@@]2(CN(C(=O)c3cnc(C)[nH]3)CC(F)(F)C2)C1=O 585093140 DZEVRCLEJCZNPK-CQSZACIVSA-N 326.347 1.438 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)c2cc3cc(C)ccc3nc2C)[C@@H]1O 585285085 LXXSMKWOSAZHEP-OLMNPRSZSA-N 344.411 1.604 0 40 EDAB Cc1ccc(=O)n(CC2CN(c3ncnc4ccc(F)cc34)C2)n1 585603504 XTCWXRVHBOHHHM-UHFFFAOYSA-N 325.347 1.770 0 40 EDAB CC(C)CCN1C[C@H]2C(=O)NC3(CCN(c4cnccn4)CC3)[C@@H]2C1 585106256 ZGUUCARWLQGJSK-HZPDHXFCSA-N 343.475 1.540 0 40 EDAB CCc1ccc(C(=O)N2CCO[C@H](CN(CC(=O)O)C(C)=O)C2)cc1 681942489 LRRTUFQJILRZSJ-INIZCTEOSA-N 348.399 1.023 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CCO1 50845608 OKPGXNFRONKRBY-DLBZAZTESA-N 340.379 1.519 0 40 EDAB O=C(NCCOC(=O)c1ccc2c(c1)OCCCO2)c1ccncc1 56217185 HOKPVWBOVDURPZ-UHFFFAOYSA-N 342.351 1.830 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCN(C(=O)CC2(O)CCCC2)CC1 72907827 UKDCEMHZPCULTC-UHFFFAOYSA-N 348.418 1.734 0 40 EDAB Cc1cc([C@@H]2CCCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)n[nH]1 78901196 NROHOJUWHMNEJG-RHSMWYFYSA-N 342.447 1.827 0 40 EDAB C[C@H](O)c1cn(C2CN(C(=O)c3ccc4c(c3)CCCC4)C2)nn1 95998056 NOLJZEZBAWBEGL-LBPRGKRZSA-N 326.400 1.907 0 40 EDAB CC(C)NC(=O)[C@H](c1ccccc1)N1CCC2(CC1)CNC(=O)N2C 1615045290 PEVNBZGSUXYUGF-INIZCTEOSA-N 344.459 1.742 0 40 EDAB C[C@@H](N[C@H](CO)C1CCCC1)c1ccc(S(N)(=O)=O)cc1F 1616040894 HCHVNYKXHIMVCS-MEBBXXQBSA-N 330.425 1.675 0 40 EDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC2)C12CCNCC2 1549174640 NPPUGPSNDGXRFJ-QGZVFWFLSA-N 341.455 1.989 0 40 EDAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(N)=O)C3)cc2N1 12182900 LWTNVDHJRFDTKI-FXPVBKGRSA-N 331.342 1.465 0 40 EDAB CCCCNC(=O)NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 15803516 QTXNPAHILAVESM-FNORWQNLSA-N 348.355 1.598 0 40 EDAB Cn1nccc1C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 19289104 RMNMRUKGMNBXQD-UHFFFAOYSA-N 340.383 1.217 0 40 EDAB CNc1cc(C(=O)N2CCO[C@@H](C(=O)NC3CCCC3)C2)ccn1 19747775 LRXPKJMDQAGEDQ-CQSZACIVSA-N 332.404 1.023 0 40 EDAB O=C1NCCN1C(=O)N1CCC(N2CCc3sccc3C2)CC1 225689693 DZNUSRBYKAPWRM-UHFFFAOYSA-N 334.445 1.716 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cn1nccn1)C(C)C 253473883 ZLIXSTHSWQKXOJ-ZDUSSCGKSA-N 338.433 1.598 0 40 EDAB CN(C1CN(c2ccc(-c3ccc(F)cc3)nn2)C1)S(C)(=O)=O 1888869715 UXGFIMOPHSQXBQ-UHFFFAOYSA-N 336.392 1.363 0 40 EDAB Cn1cc(C(=O)N2CCC(COc3ccncc3Cl)CC2)nn1 1848744825 QBTSTTUGNMJZTK-UHFFFAOYSA-N 335.795 1.795 0 40 EDAB O=C(CC1CC1)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840798 RGSTWILFKGQVPJ-SFHVURJKSA-N 332.375 1.960 0 40 EDAB Cc1ccc(C(=O)N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)cn1 2037984708 LAPFJGQXJSTVIU-SFHVURJKSA-N 331.416 1.490 0 40 EDAB CN1CCCC[C@]2(CN(C(=O)CCc3ccccc3F)CCO2)C1=O 2037985737 USENWLHPDPMQTF-IBGZPJMESA-N 348.418 1.998 0 40 EDAB COCCCN1CC[C@@H]2CN(C(=O)c3cnc(C)nc3C)C[C@@H]2CC1 2056223942 IGDAFUMTYUURGR-CALCHBBNSA-N 346.475 1.914 0 40 EDAB CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)[C@@H]1CCOC1)C2 1614933117 FILFRNURPWOQOL-CYBMUJFWSA-N 346.431 1.465 0 40 EDAB O=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(C(=O)C3(F)CC3)C[C@H]2O1 1565544189 AIXAQNIGNGNTIN-FPMFFAJLSA-N 336.363 1.404 0 40 EDAB O=C(c1ccccc1)N1CCO[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 1565542833 WNBXVHANXHTMPQ-PXNSSMCTSA-N 336.391 1.811 0 40 EDAB O=C(CC1(O)CCC1)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 1565549714 ADRRGPOQSRXART-VYDXJSESSA-N 332.400 1.524 0 40 EDAB O=C([C@@H]1CCCO1)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 4165452 OAUHQRZRZOYKQL-KGLIPLIRSA-N 325.361 1.648 0 40 EDAB CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)n[nH]c2=S)cc1 5890991 FATGEJIWYMFIKB-UHFFFAOYSA-N 345.384 1.296 0 40 EDAB COCCn1cc2c(c1-c1ccccc1C)c(=O)n(C)c(=O)n2C 12463143 PXJGSMGDEGFXBA-UHFFFAOYSA-N 327.384 1.661 0 40 EDAB Cc1cc(CN[C@H]2CCc3onc(CN4CCCC4)c3C2)n(C)n1 2055745659 RRPANRTZAIPDKJ-AWEZNQCLSA-N 329.448 1.959 0 40 EDAB O=S(=O)(N[C@H]1CCN(c2nccs2)C1)c1c(F)cccc1F 206818554 BBVXZJNXDPUCTM-VIFPVBQESA-N 345.396 1.979 0 40 EDAB COc1ccc(O[C@H]2CCN(C(=O)[C@H](C)Oc3ccccc3)C2)nn1 225434695 IVOVHMUFMHLJPH-ZFWWWQNUSA-N 343.383 1.932 0 40 EDAB COc1ncccc1C(=O)N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O 44226044 FHVXWCGGWPAHIT-NWDGAFQWSA-N 349.412 1.827 0 40 EDAB O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@H](Oc2ccncn2)C1 575612056 IRTSMLJOEVIPDV-LBPRGKRZSA-N 341.339 1.597 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1 585149058 YZBIHQWJMBJRPV-UHFFFAOYSA-N 331.401 1.459 0 40 EDAB O[C@H]1CCCC[C@H]1N1CCN(c2nccc(N3CCCC3)n2)CC1 2298178382 NKYRDDKBLDWKLK-CVEARBPZSA-N 331.464 1.502 0 40 EDAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCCCn1cccn1 30166951 BDGDOMAEMGKGQC-OAHLLOKOSA-N 326.400 1.981 0 40 EDAB O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1nccs1 40143237 KRMHKUTZLGUUMV-UHFFFAOYSA-N 328.353 1.353 0 40 EDAB NC(=O)CC1CCN(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 40549320 WRNCTIUDYBADSE-CYBMUJFWSA-N 333.388 1.123 0 40 EDAB COc1ccc(CNS(=O)(=O)c2ncn(C)c2Cl)cc1OC 40501537 KTIIIAQHUCWUGR-UHFFFAOYSA-N 345.808 1.569 0 40 EDAB C[C@@H]1CN(Cc2nc(CC(=O)NCc3ccccc3)no2)C[C@@H](C)O1 40513747 NOOMMNMQPUYDQB-ZIAGYGMSSA-N 344.415 1.538 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)NC[C@H]1Cc2ccccc2O1 46278702 KOXOMHYESLTHKD-CQSZACIVSA-N 335.363 1.516 0 40 EDAB O=C(CCn1ccc(=O)[nH]c1=O)Nc1cccc(Br)c1 11905190 CUOUKHYRCMYFLT-UHFFFAOYSA-N 338.161 1.328 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)COCc2nc3ccccc3s2)CC1 69978904 JJKUYSBSTOLPTH-CYBMUJFWSA-N 349.456 1.338 0 40 EDAB COc1ccc(CCNC(=O)CSc2ncccn2)cc1OC 1013325 MPDRPCCTLMROFH-UHFFFAOYSA-N 333.413 1.945 0 40 EDAB C[C@H]1CN(C(=O)Cc2cn3ccsc3n2)C[C@@H]1N1CCOCC1 76054466 CMQCFTSAKKNXPB-JSGCOSHPSA-N 334.445 1.117 0 40 EDAB CCn1cnnc1CNS(=O)(=O)N1CCC[C@@H]1c1ccco1 78879979 CSFYJVQRKMGOOJ-LLVKDONJSA-N 325.394 1.063 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 32827992 PWIJDBULHXEWAB-UHFFFAOYSA-N 347.337 1.751 0 40 EDAB COc1cc(CNCCSc2nnnn2C)cc(OC)c1OC 2431746 DOZZBEVZYOSCIQ-UHFFFAOYSA-N 339.421 1.118 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCN(Cc3ccccn3)CC2)cs1 32823613 DOVVGEKUPSAJFX-UHFFFAOYSA-N 345.428 1.455 0 40 EDAB CCc1ncc2c(n1)CN(CC(=O)N1CCO[C@H]3CCCC[C@@H]31)CC2 69951110 PNJVEGXYPTYWNZ-IRXDYDNUSA-N 344.459 1.567 0 40 EDAB Cc1nn(C)cc1CN(C)C(=O)c1nn(C)cc1Br 2778634 HBDVHTVXNMUAAO-UHFFFAOYSA-N 326.198 1.497 0 40 EDAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CCOC1 41374226 XOKDLOXAPQUNOL-CXAGYDPISA-N 329.400 1.368 0 40 EDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1cc(C2CC2)[nH]n1 41408271 MYWMFVQPGZCORL-INIZCTEOSA-N 336.461 1.225 0 40 EDAB Cc1cc([C@@H]2CCCN2C(=O)CN2C(=O)NC3(CCCC3)C2=O)on1 53109213 HGHKQQLDXATPEP-LBPRGKRZSA-N 346.387 1.511 0 40 EDAB COCCOCC(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 46922963 CCSCZJLONDTFMP-NSHDSACASA-N 327.377 1.553 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc2[nH]ncc12 69921672 JGESZKSJXPTNLE-MRXNPFEDSA-N 343.431 1.235 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2O[C@H](C[C@H]2C(=O)Nc2cccnc2)C1 107264674 HPLVNYBENROBEM-BFYDXBDKSA-N 342.399 1.914 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 23861963 URRFSQILNOSCQN-QMMMGPOBSA-N 338.223 1.771 0 40 EDAB CN(C)C(=O)CC1CCN(C(=O)Nc2cnn(CC(F)F)c2)CC1 97080873 KCYMLQCUKNGBDX-UHFFFAOYSA-N 343.378 1.870 0 40 EDAB CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 34872843 DFQSKZIKSKDLIZ-UHFFFAOYSA-N 341.314 1.111 0 40 EDAB COc1ccc(OC)c(/C=C/C(=O)N2CCN(C(=O)C3CC3)CC2)c1 25348199 IHPSDQZLWWZPMZ-VMPITWQZSA-N 344.411 1.798 0 40 EDAB CCNC(=O)c1cccc(CNS(=O)(=O)c2ccc(OC)cc2)c1 56066189 ZKFRLWJWRSOAEB-UHFFFAOYSA-N 348.424 1.923 0 40 EDAB Cc1cc(=O)oc2c3c(ccc12)OCN([C@@H]1CCS(=O)(=O)C1)C3 61966146 BSQDUFVTEQGEKW-LLVKDONJSA-N 335.381 1.440 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H]1CCCc2ccccc21 26565274 AKWCLJQRFMDOOW-HNNXBMFYSA-N 327.384 1.498 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccncc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 57531327 FKPLBPDNSVBQER-OPQQBVKSSA-N 347.293 1.208 0 40 EDAB O=S(=O)(NC[C@@H]1Cc2ccccc2O1)c1ccc2c(c1)OCCO2 26866031 FVTVMIMYIXQRTB-ZDUSSCGKSA-N 347.392 1.740 0 40 EDAB COC(=O)c1oc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C 27224004 KZUREWIOEISOBR-AWEZNQCLSA-N 336.388 1.198 0 40 EDAB CCOC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1ccncc1 37866262 ODGVPJVFSBILQO-ZDUSSCGKSA-N 341.367 1.346 0 40 EDAB O=C(CCNC(=O)COc1ccc(Cl)cc1)NCc1cccnc1 58181429 OALHELOAXVPHBK-UHFFFAOYSA-N 347.802 1.937 0 40 EDAB CN(C)S(=O)(=O)N1CCN(CCOc2ccccc2Cl)CC1 27428290 GFOXWIXCVBVBNN-UHFFFAOYSA-N 347.868 1.143 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)CN(C)c1ccccc1 58265376 NCNPGHUBTDBNAL-LBPRGKRZSA-N 336.461 1.840 0 40 EDAB CC(C)c1nc([C@H]2CCCN(C(=O)CCCn3cncn3)C2)no1 72232632 ITVSXRRFYACVBT-ZDUSSCGKSA-N 332.408 1.971 0 40 EDAB O=C(CCNc1ncccn1)N1CCN(C(=O)C2CCCCC2)CC1 58281739 PTHAUTAVENHVBT-UHFFFAOYSA-N 345.447 1.530 0 40 EDAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCC[C@@H](CO)C2)cc1 36138504 IDUPFBAXONUEHN-CYBMUJFWSA-N 338.429 1.206 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCCC2)nc1 44976734 NXXXLRMPZNDMDN-CYBMUJFWSA-N 342.399 1.710 0 40 EDAB C[C@H]1CN(C(=O)C2CCN(C(=O)Nc3cccnc3)CC2)C[C@H](C)O1 44972803 MSWXWZCZCZZKIB-KBPBESRZSA-N 346.431 1.961 0 40 EDAB O=C1CCc2cc(OCC(=O)N(C[C@@H]3CCOC3)C3CC3)ccc2N1 44940961 NFGCUDMEPLFKTN-ZDUSSCGKSA-N 344.411 1.978 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)N2CCNC(=O)C2)c(Br)c1 44959825 USAADDGQEWAPAC-SNVBAGLBSA-N 341.205 1.483 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1ccc(-n2ccnc2)nc1 58392396 HBRPTMQYFVIMKX-UHFFFAOYSA-N 325.420 1.665 0 40 EDAB CC[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 72294065 ITMIIECLQPYIER-VNHYZAJKSA-N 333.436 1.793 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(N2CCCC2)nc1)c1nncn1C 45844628 UIBOMRUQQJXPKA-GFCCVEGCSA-N 329.408 1.371 0 40 EDAB CC1CCN(S(=O)(=O)NCc2ccc3c(c2)OCCO3)CC1 48310772 PSAIBMSNZNVPHP-UHFFFAOYSA-N 326.418 1.524 0 40 EDAB Cc1cccn2cc(CC(=O)N3CCN(Cc4ccncc4)CC3)nc12 69373296 AZXDXNBSQHVPCL-UHFFFAOYSA-N 349.438 1.925 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCc2cccnc2OCC(F)(F)F)C1 45941862 LGOVVXFHFIVLJS-SNVBAGLBSA-N 346.309 1.040 0 40 EDAB Cc1ccc(S(=O)(=O)NCCC(=O)OCc2cc(C)on2)cc1 12866039 INCXLHYKFPCFCU-UHFFFAOYSA-N 338.385 1.703 0 40 EDAB NC(=O)[C@@H]1C[C@H](O)CN1c1nc(C(F)(F)F)nc2ccccc12 12846750 CIIKWDSNNNPNLJ-XVKPBYJWSA-N 326.278 1.074 0 40 EDAB Cc1csc([C@@H]2CN(C[C@H](O)COC[C@@H]3CCCO3)CCO2)n1 97199572 BEHSRKXHNBNNEG-KKUMJFAQSA-N 342.461 1.381 0 40 EDAB COc1ccc(NC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 13011722 RWUBMQRCJDCMTH-YOEHRIQHSA-N 349.431 1.554 0 40 EDAB CNC(=O)CN1CCC(NC(=O)Cc2c[nH]c3cc(C)ccc23)CC1 69490636 YKWZMGJOCXYUPW-UHFFFAOYSA-N 342.443 1.345 0 40 EDAB CC(C)c1ccc(C(=O)Cc2cnc3n(C)c(=O)[nH]c(=O)n23)cc1 28527432 NYDGSRDCEXWHOV-UHFFFAOYSA-N 326.356 1.270 0 40 EDAB COC(=O)CCN1CCN(C(=O)C(=O)c2ccc(C)cc2)[C@@H](C)C1 91630793 XFTUJJPXKXMNPE-AWEZNQCLSA-N 332.400 1.274 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2CCO)cc1 69534621 HNJHTASRZBDEEC-LBPRGKRZSA-N 327.406 1.103 0 40 EDAB Cn1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)ccc1=O 69517765 ZNVGCGLAXSBJDF-MRXNPFEDSA-N 339.395 1.005 0 40 EDAB CCn1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)cn1 69559653 BHWZXDWUJWXGOP-CQSZACIVSA-N 342.399 1.899 0 40 EDAB COc1cc2nc(CN(CCO)CC(C)(C)C)[nH]c(=O)c2cc1OC 69665610 WIIUINIXLCPJLL-UHFFFAOYSA-N 349.431 1.781 0 40 EDAB COc1cc(OC)c([C@H]2C=C(C(=O)O)Nc3ncnn32)cc1OC 8594237 NDOHDJDJIJLDEW-SNVBAGLBSA-N 332.316 1.287 0 40 EDAB COc1cc(OC)cc(C(=O)NCC(=O)O[C@@H]2CCCCC2=O)c1 6151599 PCUUZSMYIPMTKE-OAHLLOKOSA-N 335.356 1.489 0 40 EDAB CC(C)CCNC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl 69772393 VLFHLRFKGVHTOI-NSHDSACASA-N 347.868 1.954 0 40 EDAB CNc1snc(C)c1C(=O)N1CCN(c2nccc(OC)n2)CC1 69776952 VBGPCNJJVKGBMR-UHFFFAOYSA-N 348.432 1.254 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)C[C@@H](C)O1 4308963 FKWFUYZRQFVCJI-JRATXPSKSA-N 337.420 1.123 0 40 EDAB CC(C)c1nc(CSCC(=O)N[C@@H]2CCS(=O)(=O)C2)cs1 69737750 MCIZNEUNHNGZNP-SNVBAGLBSA-N 348.515 1.803 0 40 EDAB COC[C@H](C)NC(=O)N1CCN(Cc2cn3ccccc3n2)CC1 65454212 STRAOWRJAOXXBL-AWEZNQCLSA-N 331.420 1.196 0 40 EDAB c1csc([C@H](CNC[C@H]2CNc3ccnn3C2)N2CCOCC2)c1 65474798 QWMJPATZEUNMEL-GJZGRUSLSA-N 347.488 1.649 0 40 EDAB COc1ccccc1N1C[C@H](C(=O)NCCN(C)C2CC2)CC1=O 65447158 OYSFMMOLOCZMMG-CYBMUJFWSA-N 331.416 1.259 0 40 EDAB COC(=O)NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 65565660 HBFJDXXCUDZBFZ-CYBMUJFWSA-N 334.372 1.867 0 40 EDAB C[C@@H]1CCc2c(sc3ncnc(N4CCN[C@@H](C(N)=O)C4)c23)C1 14135953 WCBPASRKNMZYPH-MWLCHTKSSA-N 331.445 1.080 0 40 EDAB C[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C[C@@H](C)O1 14198010 JORSRHOAUSQGEM-PSTGCABASA-N 335.379 1.659 0 40 EDAB NC(=O)NC(=O)CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 65624915 PKRMNKKFCHTPGX-LBPRGKRZSA-N 346.214 1.952 0 40 EDAB CCc1ccc(NC(=O)CN(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 69815785 FAPUECZZQJWFNO-INIZCTEOSA-N 336.457 1.839 0 40 EDAB CC(C)CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858205 FHTKYQYUEBSTDD-UHFFFAOYSA-N 344.820 1.792 0 40 EDAB CCN(C(=O)CNc1cc(F)ccc1C)[C@H]1CCS(=O)(=O)C1 72314823 TWEYCLQLBASQLW-ZDUSSCGKSA-N 328.409 1.582 0 40 EDAB Cc1ccc(O)c(CN2CCC[C@@H](C(=O)NCC(F)(F)F)C2)n1 93682838 TWODYPVSDKQAGR-LLVKDONJSA-N 331.338 1.986 0 40 EDAB Cc1nnccc1C(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C 97229583 ICLIIZBYJUTECK-JTQLQIEISA-N 342.363 1.470 0 40 EDAB CN1CCN(c2ccc(NC(=O)c3ccnc(C4CC4)n3)cn2)CC1 66373122 VQTPIFCCTZWXLL-UHFFFAOYSA-N 338.415 1.753 0 40 EDAB CCN(CC)[C@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccccc1 71847129 UOMNGZFXYKMCLU-ZBFHGGJFSA-N 338.473 1.620 0 40 EDAB CCc1nc(CNC(=O)NCc2cccnc2-n2cncn2)cs1 71886641 GFZQVVWTEGPYRW-UHFFFAOYSA-N 343.416 1.681 0 40 EDAB O=C1[C@H]2CCCN2C(=O)N1CCCS(=O)(=O)c1ccc(F)cc1 71828107 RSSSLOZTXVSACH-CYBMUJFWSA-N 340.376 1.416 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2ccc(C(N)=O)cc2)c1 71865686 AKQHNQQKXFBASG-INIZCTEOSA-N 326.400 1.985 0 40 EDAB O=C(NCc1nc(-c2ccco2)n[nH]1)c1n[nH]c(=O)c2ccccc12 71858696 FPKZRTGFAJPJFH-UHFFFAOYSA-N 336.311 1.231 0 40 EDAB C[C@@H](NC(N)=O)C(=O)N[C@H](COc1ccccc1)c1ccccc1 71886486 UABPHQGKMUJUSP-CZUORRHYSA-N 327.384 1.980 0 40 EDAB CCN(Cc1ccc(OC)c(F)c1)Cc1cc(=O)n(C)c(=O)n1C 71886852 FBLQHOWAQOZXOX-UHFFFAOYSA-N 335.379 1.254 0 40 EDAB O=C(NCc1cc[nH]n1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 84539000 XJRHGPFZFJNZDB-DLBZAZTESA-N 341.415 1.205 0 40 EDAB Cc1cc(F)cc2c(=O)c(C(=O)N3CCNC(=O)[C@H]3C(C)C)c[nH]c12 84086331 KAEUKXHRURBPHA-OAHLLOKOSA-N 345.374 1.572 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N3CCc4cncnc4C3)CC2=O)cc1 95396054 NAMBUOHIEOBJLN-HNNXBMFYSA-N 336.395 1.723 0 40 EDAB CC[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1N1CCOCC1 84735817 SDRJNABTSJNRJW-IXDOHACOSA-N 340.464 1.141 0 40 EDAB C[C@@H](Nc1nccn2nnnc12)[C@@H](O)c1ccc(Br)cc1 95407604 WBZFWAZDJUPQNY-LDYMZIIASA-N 349.192 1.816 0 40 EDAB CN1CCO[C@H](C(=O)N2CCc3cc(Br)sc3C2)C1 95446814 MQUBPNSGJQWYME-JTQLQIEISA-N 345.262 1.726 0 40 EDAB C[C@H](c1ccccc1)[C@H](CO)NS(=O)(=O)N1CCCCCC1 95433105 IMHYHHLFQBTPHY-ZBFHGGJFSA-N 326.462 1.861 0 40 EDAB C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)N1CCCCCC1 95433102 IMHYHHLFQBTPHY-GOEBONIOSA-N 326.462 1.861 0 40 EDAB Cc1ccnc(NCc2cccc(C(=O)N3CCC[C@@H]3C(N)=O)c2)n1 95467437 SSANZGUJCMOALG-OAHLLOKOSA-N 339.399 1.487 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)N2CCC[C@@H]2c2nncn2C)n1 95453667 VPGJFXCJIYNQBO-IUODEOHRSA-N 345.451 1.811 0 40 EDAB COc1ccc(-n2cc(CNC(=O)NC[C@@H]3CCC[C@H]3O)nn2)cc1 88620844 JKUWHZKTFFMTBU-BLLLJJGKSA-N 345.403 1.236 0 40 EDAB COc1cccc([C@H](CNC(=O)c2ccc(C)[nH]c2=O)N(C)C)c1 75118547 PEPGHMWGDFAJGJ-INIZCTEOSA-N 329.400 1.725 0 40 EDAB O=C(NCCN1CCN(C(=O)C2CCC2)CC1)Nc1ccccn1 75139271 PNFMYJRORKUGEO-UHFFFAOYSA-N 331.420 1.147 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H](C(C)C)n2cncn2)n1 75129884 GSEACWLWMFGHCN-HOTGVXAUSA-N 330.436 1.980 0 40 EDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1cnc(N2CCCC2)nc1 89949103 QJUPUMFYTNMQSO-IAGOWNOFSA-N 331.464 1.813 0 40 EDAB COc1cc(C(=O)Nc2ccncc2)cc(OC)c1OCC(N)=O 22260557 CGLHWXMRGMPDAY-UHFFFAOYSA-N 331.328 1.215 0 40 EDAB CCCc1nc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)no1 69899743 IRACNZKSKOFJOA-MRXNPFEDSA-N 330.432 1.873 0 40 EDAB Cn1nnnc1N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 547469642 ORQKTVLEIFWHMZ-LLVKDONJSA-N 342.172 1.690 0 40 EDAB CN(C[C@@H]1CCCN1C(=O)c1cnn[nH]1)C(=O)C12CCC(CC1)C2 1002674086 DQQWTVFVYGBMIO-JZLYGMAVSA-N 331.420 1.448 0 40 EDAB COc1cc(C(=O)N[C@@H](C)Cc2ccco2)ccc1OCC(N)=O 33208190 RBXBFNQFYDIOAA-NSHDSACASA-N 332.356 1.513 0 40 EDAB CN(C)c1cc(C[C@H]2CNCCN(Cc3ccccc3)C2)ncn1 72355047 GDXXCKKNFMSCGI-KRWDZBQOSA-N 325.460 1.807 0 40 EDAB NC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC1 79047201 JXYKPQASZHLAPP-ZIAGYGMSSA-N 337.370 1.088 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)c2sccc2OC(F)F)cn1 73147457 CHXHVDNUNGVHMM-CYBMUJFWSA-N 331.344 1.721 0 40 EDAB Cc1nc(Nc2nncs2)cc([C@H]2CCCN2C(=O)CN(C)C)n1 72360390 VOUBEMSXGMSCAX-GFCCVEGCSA-N 347.448 1.605 0 40 EDAB Cc1ccc(-n2ccn3c(SCC(N)=O)nnc3c2=O)cc1C 64593568 HCRIHWNMEXUGEX-UHFFFAOYSA-N 329.385 1.074 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CCn1ccccc1=O 76494539 YEOTWHDUPQESTM-QGZVFWFLSA-N 339.439 1.971 0 40 EDAB C[C@H]1CCc2cc(F)ccc2N1C(=O)C1CN(S(C)(=O)=O)C1 70817370 YSTGMESQPIBJLJ-JTQLQIEISA-N 326.393 1.385 0 40 EDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCCCCC2)cc1 74927778 QMRTYNJIRLOJSM-UHFFFAOYSA-N 336.413 1.905 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(F)c3)CC2)no1 79001624 KGQNMACMNLIXAI-JKSUJKDBSA-N 344.390 1.965 0 40 EDAB O[C@H](CN[C@H]1CCCN(c2ncccn2)C1)COCc1ccco1 48279910 CCKKVXUURISJBL-LSDHHAIUSA-N 332.404 1.206 0 40 EDAB O=C(O)c1[nH]c(=O)n(-c2ccccc2Cl)c(=O)c1CN1CCCC1 222664032 PXAGWIOAYIMLMP-UHFFFAOYSA-N 349.774 1.473 0 40 EDAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NC3CC3)s2)c1 225570827 RTTKZFCEYXJMDT-UHFFFAOYSA-N 338.414 1.540 0 40 EDAB O=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc(F)cc3)CCN12 85436214 FXAZOZCVQKJTJD-QGZVFWFLSA-N 333.407 1.927 0 40 EDAB biogenic,in-vitro COC(=O)[C@@H](NC(=O)C(=O)Nc1cccc2c(O)cccc12)C(C)C 40267908 WXQZPOFKQFVJEJ-HNNXBMFYSA-N 344.367 1.798 0 40 EDAB Cc1noc(C)c1CSc1ncccc1C(=O)N(C)CC(N)=O 61572643 ZGZXNMKEBWESDF-UHFFFAOYSA-N 334.401 1.536 0 40 EDAB CS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 45866034 XDCYQSRWMUBVCC-UHFFFAOYSA-N 337.422 1.842 0 40 EDAB O=C(CCC(=O)N1CCOCC1)Nc1ccc2c(c1)CCCC(=O)N2 227169479 BJMFCQZCBYENPL-UHFFFAOYSA-N 345.399 1.539 0 40 EDAB Cc1cc(S(=O)(=O)NCCO)c(Cl)cc1Br 41096086 BTVVZWQNSAFAHR-UHFFFAOYSA-N 328.615 1.682 0 40 EDAB O=C(CN1CCOCC1)N1CCN(Cc2coc3ccccc23)CC1 96489557 JFILRFCTRZUWNE-UHFFFAOYSA-N 343.427 1.409 0 40 EDAB O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@H]1C[C@]12CCOC2 332914204 TWVGEUMHBZTLET-HIFRSBDPSA-N 327.377 1.142 0 40 EDAB Cn1ccnc1C(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 96421326 MCHVYXFGQLAELK-UHFFFAOYSA-N 340.305 1.599 0 40 EDAB Cc1ccc(CN2Cc3nnn(C)c3[C@@H](COCCN(C)C)C2)o1 96060665 QYZOYNUXRLBMRS-CQSZACIVSA-N 333.436 1.394 0 40 EDAB O=C1NC[C@H](COc2cccnc2)[C@]12CCN(c1ncc(F)cn1)C2 96218170 GDPVINBARMTYRJ-SJKOYZFVSA-N 343.362 1.032 0 40 EDAB CCN(C)c1ncnc2c1CCN(C(=O)NCc1cccnc1)CC2 96255808 LMPHKUUWUUKLOD-UHFFFAOYSA-N 340.431 1.638 0 40 EDAB O=c1ccc(C(F)(F)F)nn1Cc1cc(=O)n2ccsc2n1 96484294 CRFAQBFSHAKXGU-UHFFFAOYSA-N 328.275 1.380 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccccn1)C2)N1CCCC1 96108307 PKNGQNCZQXRBBH-QAPCUYQASA-N 330.432 1.335 0 40 EDAB O=C(c1ccsc1)N1C[C@H]2CN(C(=O)c3cnccn3)C[C@H]2C1 96053969 IYWQKACOPAWCEE-BETUJISGSA-N 328.397 1.382 0 40 EDAB C[C@H]1CCCN(c2ncc3c(n2)[C@H]2CN(C)C[C@H]2S(=O)(=O)C3)C1 96251991 ZDFBFUWCHJKNNZ-FPMFFAJLSA-N 336.461 1.039 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1n[nH]c2c1-c1ccccc1CC2 96125584 QYIIQOMJSLTSBY-NSHDSACASA-N 331.397 1.092 0 40 EDAB CN(C)C(=O)CO[C@H]1CN(CC2CCOCC2)Cc2cccn2C1 247973516 HZRYRNSBQLAQKH-KRWDZBQOSA-N 335.448 1.204 0 40 EDAB Cc1ccc(C(=O)N2CC3(C[C@H](Oc4cnccn4)CCO3)C2)cn1 248087960 KTIFVUCBHCCENS-OAHLLOKOSA-N 340.383 1.633 0 40 EDAB CCOC(=O)c1cnc(N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)nc1C 585092443 WXOCLFCOOSVEPR-HUUCEWRRSA-N 348.447 1.873 0 40 EDAB O=C(COc1cccc(F)c1)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257253378 JYQGLMCQERSQEJ-BFYDXBDKSA-N 333.363 1.672 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@@H](Cc2ccc(N3CCCC3)nn2)C1 257215275 CPLCRNAZYDNFKI-AWEZNQCLSA-N 340.431 1.895 0 40 EDAB CCCN(CCC)S(=O)(=O)N[C@@H]1CCO[C@H](c2cnn(C)c2)C1 585114511 GHSZEBDHVKBLGW-CABCVRRESA-N 344.481 1.597 0 40 EDAB CCN(C(=O)Cc1cncn1C)c1ccc(N2CCOCC2)cc1 585128995 TZGCYSIHXGQTJG-UHFFFAOYSA-N 328.416 1.852 0 40 EDAB CCCc1nnsc1C(=O)NC[C@H](O)c1ccc2c(c1)OCCO2 253473251 TVDGXJXHULXOQT-LBPRGKRZSA-N 349.412 1.725 0 40 EDAB CCc1nccn1CC(=O)N1CCNC[C@@H]1c1ccc(OC)cc1 257225538 FGQXKUFBQCHTPX-MRXNPFEDSA-N 328.416 1.627 0 40 EDAB COc1ncc(CN2CCN(C(C)=O)C[C@@H]2c2ccccc2)cn1 257232058 GJGJQORIFPIGCG-QGZVFWFLSA-N 326.400 1.891 0 40 EDAB CN1CCC[C@@H]1CCNC(=O)c1ccccc1-n1cc(CN)cn1 257283588 OYXJLPDINHJXCF-OAHLLOKOSA-N 327.432 1.545 0 40 EDAB Cc1cccnc1N1CCC[C@@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257286466 PLRHMAMCSAYGHZ-ZDUSSCGKSA-N 334.445 1.976 0 40 EDAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)n2)nc1 257323217 WJEUPLDCQWJOFB-INIZCTEOSA-N 340.383 1.796 0 40 EDAB COc1cc(CCC(=O)N2CCC[C@@H]3[C@H]2CCCC(=O)N3C)on1 257272256 NBRKFBDCDGKQEW-ZIAGYGMSSA-N 335.404 1.618 0 40 EDAB O=C1CCCCCN1CC(=O)N1CCO[C@@H](CCc2ccncn2)C1 257284155 PBKBHYRNLWFMCH-INIZCTEOSA-N 346.431 1.039 0 40 EDAB O=C(O)CCC1CCN(C(=O)CN2Cc3ccccc3C2=O)CC1 540785687 RTPBMJJQWQWVHV-UHFFFAOYSA-N 330.384 1.746 0 40 EDAB CC(C)[C@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)CCO1 271722861 UEGDLQNNKFKNCG-SWLSCSKDSA-N 341.429 1.940 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 585095786 KKXYIUKYBDSITP-AWEZNQCLSA-N 330.388 1.866 0 40 EDAB CC(=O)N1CCC[C@H](NC(=O)Cc2cnc[nH]2)[C@@H]1Cc1ccccc1 585280200 CFNGPERXAXUEDB-ROUUACIJSA-N 340.427 1.691 0 40 EDAB CCOC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 45800382 SYKUUCWDGZQQJQ-KRWDZBQOSA-N 332.356 1.175 0 40 EDAB C[C@@H](CNc1ccc2nnc(-c3ccccc3)n2n1)N1CCOCC1 53559031 JFOWMXAIDVNUMQ-AWEZNQCLSA-N 338.415 1.924 0 40 EDAB O=C(c1ccc2c(Br)cnn2c1)N1CC[C@@](F)(CO)C1 935868119 YSWRWZQDMDRNGG-ZDUSSCGKSA-N 342.168 1.643 0 40 EDAB O=C(c1c[nH]c(=O)c(Br)c1)N1CCO[C@H]2CCCC[C@@H]21 89762046 JYLIVDLAUJDNFM-RYUDHWBXSA-N 341.205 1.921 0 40 EDAB O=C(CNc1cccc2c1CCCC2)NC[C@@H]1CCS(=O)(=O)C1 89800238 DXGSJQUHZCQPJC-ZDUSSCGKSA-N 336.457 1.528 0 40 EDAB COCCN1CCN(c2nnc(Cc3ccccc3)s2)CC1=O 97086044 QNFODFWIKUDOIC-UHFFFAOYSA-N 332.429 1.424 0 40 EDAB C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cnn(C)c1Cc1ccccc1 548845090 URGZSTLWCRXJDP-WFASDCNBSA-N 326.400 1.408 0 40 EDAB CN1CC[C@]2(CCN(C(=O)NCc3ccnc(-n4cccn4)c3)C2)C1 558983256 GKXCWQKQCZIHES-SFHVURJKSA-N 340.431 1.505 0 40 EDAB O=C(CN1C[C@@H](O)C[C@H]1c1ccccc1)NCC(=O)c1cccs1 570024516 DLUNJTKWCOYHPC-GJZGRUSLSA-N 344.436 1.855 0 40 EDAB O=C([C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12)N1CC(O)C1 1772595474 ADNNFVIRHOOFHR-RYRKJORJSA-N 328.412 1.281 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccccc2)cc1S(N)(=O)=O 5882829 KPHJXQVBTWAMEV-UHFFFAOYSA-N 342.398 1.143 0 40 EDAB COCC(=O)N1CCC(Cn2nc(-c3cccs3)ccc2=O)CC1 12184014 WUFZFIIHHKABHM-UHFFFAOYSA-N 347.440 1.857 0 40 EDAB Cc1ncc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N(C)C)c(C)n1 12203843 BMFGHLHYMUPICH-HNNXBMFYSA-N 342.399 1.855 0 40 EDAB CCN(CC)C(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 13582661 XEBDDTGCNXFTAH-UHFFFAOYSA-N 344.433 1.582 0 40 EDAB Cc1nc(C)c(C(=O)N2CC[C@@H](C(=O)NCCN3CCCCC3)C2)o1 19748091 KPCLZZVNZDTIPF-OAHLLOKOSA-N 348.447 1.356 0 40 EDAB O=S(=O)(NCC1CCN([C@H]2CCSC2)CC1)c1cccnc1 225572304 BXLXVPBNOLYPAJ-AWEZNQCLSA-N 341.502 1.577 0 40 EDAB COc1ccc(OC)c(NC(=O)C[C@@H](C(=O)O)N2CCCCC2)c1 5258356 UOYAUQCVAXKTEM-AWEZNQCLSA-N 336.388 1.972 0 40 EDAB O=C(Nc1onc2c1CCCC2)c1cc(N2CCOCC2)ncn1 253408858 YUVMFILKMLKNJJ-UHFFFAOYSA-N 329.360 1.432 0 40 EDAB CN1C(=O)COc2c(C(=O)NC34CCN(CC3)CC4)cc(Cl)cc21 21992737 LZNOMKZODFTFAJ-UHFFFAOYSA-N 349.818 1.663 0 40 EDAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1cccnc1N1CCCC1 16289917 DWRWEVKJELHGJQ-UHFFFAOYSA-N 348.403 1.463 0 40 EDAB O=C(NC1CC1)[C@H]1CN(c2ccc(Br)cn2)CCO1 1888846736 AOLABGWDYIXEDL-LLVKDONJSA-N 326.194 1.328 0 40 EDAB CCc1nc(N2C[C@H]3CN(c4ncc(F)cn4)C[C@@H]3C2)nc(O)c1F 1888854165 CFSWSCXWHHNEBU-NXEZZACHSA-N 348.357 1.385 0 40 EDAB CN(CC1CN(c2ncnc3ccsc23)C1)S(=O)(=O)C1CC1 1888856847 MDRYSMRDFPUUTR-UHFFFAOYSA-N 338.458 1.552 0 40 EDAB c1cnn(-c2cc(N3CCN(c4cc(C5CC5)ncn4)CC3)ncn2)c1 1888899278 GSJMJSTXVWXDNX-UHFFFAOYSA-N 348.414 1.656 0 40 EDAB CN(CCOc1ccccc1)[C@H](C(=O)NC(N)=O)c1ccccc1 23706372 AYEBNPRNIHNFFK-INIZCTEOSA-N 327.384 1.933 0 40 EDAB COCCNC(=O)CSc1nc(C2CC2)nc(C)c1C(=O)OC 32752957 WJFAPMUBMOVMGE-UHFFFAOYSA-N 339.417 1.304 0 40 EDAB CCOc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ncn1 239611713 FBMOFOIJQVHSEZ-UHFFFAOYSA-N 331.372 1.865 0 40 EDAB COCCN[C@H]1CSC2(C1)CN(C(=O)c1ccnc(F)c1)C2 2056224507 STVLLPJJOUIDNE-GFCCVEGCSA-N 325.409 1.157 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@@H](N4CCCCC4)CS3)C2)n(C)n1 2056224617 ZLUWFUHZNFLNSJ-CQSZACIVSA-N 334.489 1.915 0 40 EDAB CCn1nccc1C(=O)N1CC[C@@H]2C[C@]21C(=O)N1CCC(C)CC1 2056225397 QOWKORXNHWOMKE-RDTXWAMCSA-N 330.432 1.766 0 40 EDAB c1nc(N2CC[C@H](COc3ccc4nccn4n3)C2)c2nc[nH]c2n1 2087063153 XGRHLKIYYCJKRG-NSHDSACASA-N 336.359 1.301 0 40 EDAB Cc1nnc(N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)s1 2087139752 GXWGGGKZACFKDD-UHFFFAOYSA-N 342.432 1.364 0 40 EDAB O=C(N[C@H]1COCc2c1cnn2C1CCOCC1)C1CC(F)(F)C1 1565555536 JRZNTEKKTTWSHH-ZDUSSCGKSA-N 341.358 1.967 0 40 EDAB Cc1noc([C@H]2C[C@H]3CN(C(=O)Cc4ccc(F)cn4)CC[C@@H]3O2)n1 1565546954 CBJBPZGWGQTXIT-TUKIKUTGSA-N 346.362 1.833 0 40 EDAB Cc1cc(-n2nnc(C(=O)N3CCC(C(N)=O)CC3)c2C)ccc1F 71010057 XCJQDEJHNQORIR-UHFFFAOYSA-N 345.378 1.361 0 40 EDAB CN(C)CCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 5438131 KDVIRNSSTGKKCV-UHFFFAOYSA-N 339.465 1.001 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c1 9572760 HZUUCMHYYBKWFS-UHFFFAOYSA-N 348.380 1.999 0 40 EDAB CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)CCc3ccccc3F)C[C@H]12 2055713552 FHZJBUPMLASTBH-GXTWGEPZSA-N 333.363 1.060 0 40 EDAB O=c1cccnn1CCCNS(=O)(=O)c1ccc(Cl)cc1 23241959 JSTJFOIXGVHTGA-UHFFFAOYSA-N 327.793 1.265 0 40 EDAB O=C1CN(c2ncc(F)cn2)CCN1c1ccnc(C(F)(F)F)c1 2298047914 AMYPEBYBSGCPHF-UHFFFAOYSA-N 341.268 1.883 0 40 EDAB Cc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)no1 30337884 JMXZFSLZRKNCQO-UHFFFAOYSA-N 337.357 1.135 0 40 EDAB CCCNC(=O)c1cnn(-c2ccc(OC)nn2)c1C(F)(F)F 30802428 WPLPDMCPFPHKCO-UHFFFAOYSA-N 329.282 1.830 0 40 EDAB COc1cc([C@H]2C=C(C(=O)O)Nc3nc(C)nn32)cc(OC)c1O 100247250 YKPYYNRMOALIAJ-SNVBAGLBSA-N 332.316 1.293 0 40 EDAB Cc1csc(=O)n1CCC(=O)Nc1cccc(OCC(N)=O)c1 30946490 CGXLCMUFYCVDQT-UHFFFAOYSA-N 335.385 1.111 0 40 EDAB O=S1(=O)N=C(NCc2ccnc(-n3cccn3)c2)c2ccccc21 31663523 QGYVQGHUYUGIEW-UHFFFAOYSA-N 339.380 1.506 0 40 EDAB Cc1nnc(NC(=O)NC[C@@H](CN(C)C)[C@H](O)c2ccccc2)s1 40526487 DXLJZGPZNRTRGZ-UONOGXRCSA-N 349.460 1.879 0 40 EDAB CCCCCNC(=O)C1CCN(Cc2cc(=O)n3nccc3[nH]2)CC1 101025769 YTJMZZILYHOCIF-UHFFFAOYSA-N 345.447 1.541 0 40 EDAB C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)N1CCc2sccc2C1 46243825 GRLOCCWSSFWHDX-DGCLKSJQSA-N 342.486 1.046 0 40 EDAB NC(=O)C1CCN(C(=O)c2ccc(OCc3ccncc3)cc2)CC1 29756317 PXJQTAZMQKXKGN-UHFFFAOYSA-N 339.395 1.998 0 40 EDAB Cc1ccc(N2CCCN(C(=O)Cc3csc(C)n3)CC2)nn1 69560141 LIAUAYFLIDXMPY-UHFFFAOYSA-N 331.445 1.831 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(SC)cc1OC 2644065 HTZRUGKNERLXJU-SECBINFHSA-N 340.401 1.808 0 40 EDAB Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1ccc(C)n1C 76017193 FNEZTUJJFHGCNU-QGZVFWFLSA-N 338.415 1.729 0 40 EDAB C[C@@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@@H]1N1CCOCC1 76054240 CWZCOAWCCMMHCH-DOMZBBRYSA-N 340.370 1.523 0 40 EDAB O=C(CN1CCC(=O)NC1=O)NCc1ccc(Br)cc1 78611469 DYNMLOSKRAGJDI-UHFFFAOYSA-N 340.177 1.007 0 40 EDAB CCOC(=O)NC(=O)COC(=O)Cc1ccc(OC)c(OC)c1 6424322 XQDJIXCGXFETTD-UHFFFAOYSA-N 325.317 1.062 0 40 EDAB CC(C)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 7006479 LMLWGWLJSQNTHB-UHFFFAOYSA-N 326.418 1.605 0 40 EDAB Cc1ccn2cc(C(=O)NCc3cccnc3-n3cncn3)nc2c1 47122754 XMQOZFJXYUXFBZ-UHFFFAOYSA-N 333.355 1.548 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cn1 47223889 KBWVUGUOSPESNR-UHFFFAOYSA-N 343.364 1.579 0 40 EDAB Cn1ncc2c(N3CCC[C@@H](C(=O)Nc4nccs4)C3)ncnc21 54125536 WGZJZFAEWWABBG-SNVBAGLBSA-N 343.416 1.675 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nc(N)c2c(C)c(C)sc2n1 12545281 PUFIRYBGKILWEE-ZETCQYMHSA-N 339.446 1.827 0 40 EDAB O=C([C@@H]1CCCN1Cc1nnc(C2CC2)n1C1CC1)N1CCOCC1 97083558 WLXAJDQXBZRRIN-HNNXBMFYSA-N 345.447 1.314 0 40 EDAB COc1cccc([C@@H]2CCCN2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 42869091 LIEHSQOTAGEITH-HIFRSBDPSA-N 338.429 1.729 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@H](C(N)=O)c1ccccc1 54888144 JZRWVMDVTRQBBK-KNXALSJPSA-N 326.352 1.558 0 40 EDAB CN1N=C(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCC1=O 59897881 WCUHYBDNAZEHTM-UHFFFAOYSA-N 334.807 1.597 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 24728321 WIJUWZCAIVSHCX-TZMCWYRMSA-N 336.363 1.955 0 40 EDAB O=C1CCCN1c1ccc(S(=O)(=O)NCCc2cccnc2)cc1 12537575 CVFFROIHIWMUIB-UHFFFAOYSA-N 345.424 1.729 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2c(C)nc3nc[nH]n3c2=O)c(C)c1 104111832 CVRBTACZXVCCNS-UHFFFAOYSA-N 333.373 1.144 0 40 EDAB O=C(CN1CSCC1=O)NCCc1ccc(Br)s1 24978120 YFNCLKOPKXLFCP-UHFFFAOYSA-N 349.275 1.702 0 40 EDAB C[C@H](CCc1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 34797948 SSLXPBGMSBZPLY-IIRRGFMQSA-N 327.380 1.874 0 40 EDAB CO[C@@H](C)c1cccc(NC(=O)C(=O)N[C@H]2CCN(C(C)C)C2)c1 106764144 CERWDNCRGPGFMJ-BBRMVZONSA-N 333.432 1.931 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCc3ccccc3[C@H]2C(N)=O)c1 69737856 GYWYOLPGIOSLQB-INIZCTEOSA-N 348.399 1.908 0 40 EDAB O=C(c1ccoc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 25382264 BFUCODQLUJVUNU-MRXNPFEDSA-N 342.351 1.404 0 40 EDAB CC(C)OC(=O)CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 69737332 VSERYTPYGBXEDQ-UHFFFAOYSA-N 341.751 1.744 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@H](n3ccnc3)C2)CN1CC(F)(F)F 69700185 FJNHSTGOCAQHOG-NEPJUHHUSA-N 344.337 1.457 0 40 EDAB O=C(CCN1CCC[C@H](N2CCNC2=O)C1)N1CCc2ccccc21 69737266 FXVDYTKEXMJXDC-INIZCTEOSA-N 342.443 1.455 0 40 EDAB C[C@@H](Sc1cc(C(N)=O)c2ccccc2n1)C(=O)N1CCOCC1 25911097 XHKYHTOWEDGXFJ-LLVKDONJSA-N 345.424 1.673 0 40 EDAB Cc1ccc(Nc2nc(NCCOCCO)nc3c2ncn3C)cc1 26532955 BPKDADNALCJFQX-UHFFFAOYSA-N 342.403 1.836 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccc(C)c2C)CC1 57289844 UAGQXHGZEMCVCB-SFHVURJKSA-N 329.444 1.963 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(CC)CC)cc1 52410839 DYPRGSDVXNUNLC-LBPRGKRZSA-N 328.434 1.621 0 40 EDAB CCOC(=O)CN1C(=O)S[C@H](CC(=O)Nc2nccs2)C1=O 1796752 KTCLBDJEDRUUIB-SSDOTTSWSA-N 343.386 1.099 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)NCCc1ccccc1 69742648 JKCHGXUPYIZIRR-KRWDZBQOSA-N 327.432 1.349 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cc1C 69772361 RCRRBIQFIDFYBZ-CVEARBPZSA-N 336.457 1.295 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1 26824834 BTKNQWMRVHMFLI-UHFFFAOYSA-N 332.381 1.634 0 40 EDAB O=c1c2ccccc2nnn1CCS(=O)(=O)Oc1ccccc1 24534822 VFARZMKADVDKPB-UHFFFAOYSA-N 331.353 1.200 0 40 EDAB CCOC[C@@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 62184658 PFUFBWFWECSEHF-CQSZACIVSA-N 344.411 1.948 0 40 EDAB COc1cccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 27270250 CVQCMLJACHJECR-UHFFFAOYSA-N 340.383 1.208 0 40 EDAB CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(C(=O)c3cncc(C)c3)CC[C@@H]21 107203006 FGZHZXGBPKNPAA-SQNIBIBYSA-N 344.459 1.403 0 40 EDAB COC(=O)CN1CCN(c2ncnc3c2oc2ccccc23)CC1 58268242 MJOMLJMLLUTEGA-UHFFFAOYSA-N 326.356 1.671 0 40 EDAB C[C@H](CN(C)C)NC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C 100729033 MGOZMLRWYDSPIC-BVSJBKOGSA-N 329.400 1.140 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@](C)(C(N)=O)c2ccccc2)cc1C 58267696 GSWIGKILVFLCAM-QGZVFWFLSA-N 332.425 1.982 0 40 EDAB CCOc1ccc2c(c1)CN(C(=O)NCCC(=O)NCCOC)CC2 58238190 SSEUPHAEBJXPDW-UHFFFAOYSA-N 349.431 1.306 0 40 EDAB CCn1c(=O)n(CC(=O)NCc2ccc(O)cc2)c2ccccc21 44906790 SELJFLVEULJTNP-UHFFFAOYSA-N 325.368 1.845 0 40 EDAB Cc1nnc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1C 44975143 SZRYJSLNVLEPCH-UHFFFAOYSA-N 340.353 1.860 0 40 EDAB COc1ccc(OC)c(N2C[C@H](C(=O)N3CCOC[C@@H]3C)CC2=O)c1 44912217 USSXDLXXAIOUNB-QWHCGFSZSA-N 348.399 1.304 0 40 EDAB CC[C@H](O)CN(CC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1 58341359 SIQRFDOVLQMHAB-JKSUJKDBSA-N 333.432 1.049 0 40 EDAB O=C1CCCc2cc(S(=O)(=O)NCC[C@H]3CCCO3)ccc2N1 58381875 IIAUFDFNPJZUFQ-CYBMUJFWSA-N 338.429 1.809 0 40 EDAB COc1ccc(NCC(=O)N2CCCCC2)cc1-n1nnnc1C 58356938 JZUAROQXITXJMH-UHFFFAOYSA-N 330.392 1.404 0 40 EDAB COc1ccc(C(C)=O)cc1Cn1c(-c2ncccn2)noc1=O 58304837 QCKOWYRKERMKTC-UHFFFAOYSA-N 326.312 1.553 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)C3(CCCC3)N=C2O)c(OC)c1 3318314 XDMPLDPCSBZJRL-UHFFFAOYSA-N 347.371 1.711 0 40 EDAB O=c1c2ccccc2nnn1C[C@H](O)COc1ccc(Cl)cc1 24719592 NBATXERHVQHHQO-LBPRGKRZSA-N 331.759 1.885 0 40 EDAB Cn1ccnc1SCC(=O)N(CCC(N)=O)Cc1ccccc1 29276401 AAALBZGBQKJMFS-UHFFFAOYSA-N 332.429 1.416 0 40 EDAB Cc1nnc2ccc(NC[C@H](CN(C)C)[C@@H](O)c3ccccc3)nn12 48345559 KZPJZUIIZDRRLZ-QAPCUYQASA-N 340.431 1.756 0 40 EDAB O=C1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CCN1 12896729 QDDDRRVKYJQDLZ-CYBMUJFWSA-N 349.818 1.151 0 40 EDAB Cc1cc(OCC(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)no1 69846382 IWMVFCJCACENPK-LLVKDONJSA-N 341.408 1.981 0 40 EDAB Cc1ccc(-n2cnnn2)cc1NC(=O)NCCCc1cn[nH]c1C 69920865 HRGMJECMWWXEQW-UHFFFAOYSA-N 340.391 1.757 0 40 EDAB Cc1cccc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)n1 70641454 NTQQOIWZAYXAMF-HNNXBMFYSA-N 325.368 1.756 0 40 EDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCSCC1 49214265 HLRKGTZAGYXHEM-UHFFFAOYSA-N 326.805 1.641 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 65493325 KDMLVYJEHDOFKE-AWEZNQCLSA-N 344.463 1.816 0 40 EDAB CCNC(=O)NC(=O)CNc1cc(C(=O)OC)cc(C(F)(F)F)c1 65585352 NFLGDHUWRWJSCT-UHFFFAOYSA-N 347.293 1.750 0 40 EDAB CNC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)C(C)(C)C 5383692 BYQJJSMAWPKCQK-CYBMUJFWSA-N 339.823 1.347 0 40 EDAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCNC1=O 14137867 SUAZNIQNHSGSCE-UHFFFAOYSA-N 349.441 1.985 0 40 EDAB COC[C@@H](C)NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 14141225 HCIRXVYKXATXBO-SECBINFHSA-N 325.434 1.289 0 40 EDAB CN(C)CCN(Cc1cccc(F)c1)C(=O)CCN1C(=O)CCC1=O 65609074 JVXKEOOBZKHCGQ-UHFFFAOYSA-N 349.406 1.255 0 40 EDAB O=C1NC(=O)C(CCc2ccncc2)(Cc2cccs2)C(=O)N1 5589277 PKAJNERMEJZJDJ-UHFFFAOYSA-N 329.381 1.671 0 40 EDAB Cc1nn(CC(=O)NC(C)C)c(C)c1S(=O)(=O)N1CCCCC1 6604958 QJNGANZDBAGWSX-UHFFFAOYSA-N 342.465 1.199 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2C=CS(=O)(=O)C2)cc1 4783669 IDFYCWGABYWEHJ-LBPRGKRZSA-N 329.443 1.573 0 40 EDAB COc1ccc(NC(=O)COC(=O)c2cnc(C)cn2)c(OC)c1 6790086 OQKUAFBLMWZMCX-UHFFFAOYSA-N 331.328 1.598 0 40 EDAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)C1=NN(C)C(=O)CC1)CC2 6757033 XSUHGKKIKIBCQE-LLVKDONJSA-N 345.399 1.758 0 40 EDAB CN1CCCC[C@H]1CN1CCN(S(=O)(=O)C2CCCCC2)CC1 66580072 PJQFBKWFWKKMBB-INIZCTEOSA-N 343.537 1.751 0 40 EDAB CCCn1c(N)c(C(=O)CN2c3ccccc3C[C@H]2C)c(=O)[nH]c1=O 6910413 MWZBGSKGSBQPOT-LLVKDONJSA-N 342.399 1.163 0 40 EDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@@H]1CN(Cc3ccco3)C[C@@H]1C2 306139012 SNDKCIVLSRPLSL-UKRRQHHQSA-N 342.399 1.027 0 40 EDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NC3CCCC3)cc2)C1=O 15842649 VKQHPWPEVXRDQC-LLVKDONJSA-N 336.413 1.672 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)N(C)CC(=O)N(C)C 7688114 IYADKVZYJCMUMF-UHFFFAOYSA-N 349.250 1.466 0 40 EDAB O=C(c1cscn1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005327 SWMYWFVGOVFBNS-GFCCVEGCSA-N 343.474 1.610 0 40 EDAB CCN(C(=O)COc1ccc(C(=O)NCCO)cc1)C1CCCCC1 70040438 VAYAKRRLRHDVLX-UHFFFAOYSA-N 348.443 1.969 0 40 EDAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 8319186 DUGADXJIMZGXHY-RYUDHWBXSA-N 327.425 1.274 0 40 EDAB Cc1ccc(NC2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)nn1 72279602 NKNNAXDTMYKKRI-UHFFFAOYSA-N 339.399 1.601 0 40 EDAB COC(=O)c1ccc2c(cnn2CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 72295922 RPVZTNSHIXFFMS-VXGBXAGGSA-N 331.372 1.459 0 40 EDAB CCc1ccc(C(C)(C)CNC(=O)[C@@H]2COCCN2C(C)=O)cc1 96486901 ALXPLUPMUVVJFN-KRWDZBQOSA-N 332.444 1.890 0 40 EDAB C[C@H]1CN(CC(=O)N2CCc3sccc3C2)CCN1C[C@@H](C)O 71864427 FHWHDZWVSFBEBJ-UONOGXRCSA-N 337.489 1.020 0 40 EDAB CCCc1c(C(=O)N2CCN(Cc3c(C)noc3C)CC2)cnn1C 71820930 PLSOAODPLBIWEJ-UHFFFAOYSA-N 345.447 1.935 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)NCCOc1ccccc1 71876204 ALERTOFHULDKKK-MRXNPFEDSA-N 343.431 1.328 0 40 EDAB Cc1cc(-c2noc(CCC(=O)N3CCNC(=O)CC3)n2)ccc1F 71839464 WUAABNRCMIGKQB-UHFFFAOYSA-N 346.362 1.465 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@@H](C)CCN(C)C 71841868 IQMJWQQKFOPKJF-LBPRGKRZSA-N 327.450 1.860 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N(C)Cc1ccccc1Cl 71803273 UNMWJUAZOXXUOX-UHFFFAOYSA-N 347.868 1.811 0 40 EDAB NC(=O)[C@H]1CCCN(c2ccnc(C(=O)NCc3ccccc3)c2)C1 71857330 ADBZLNPFHZJCRD-HNNXBMFYSA-N 338.411 1.713 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)N(C)CCCC(=O)O)CC2=O)c1 83860800 RIMOTNICDPBBCY-LBPRGKRZSA-N 334.372 1.371 0 40 EDAB C[C@@]1(C(=O)NCC(=O)OCC2CC2)CCCN1C(=O)c1ccccc1 71909756 HOUZHPBRVQLNFP-IBGZPJMESA-N 344.411 1.751 0 40 EDAB NC(=O)COC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 71921965 WVGXCAFTBHRLDB-UHFFFAOYSA-N 325.674 1.584 0 40 EDAB NC(=O)[C@@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1 72276656 YOJSKRWFIVCOKW-ZBFHGGJFSA-N 329.379 1.401 0 40 EDAB CC(=O)c1cccc(OCCCC(=O)NC[C@H](O)COCC2CC2)c1 72311682 RVNDGARORQDFOQ-KRWDZBQOSA-N 349.427 1.952 0 40 EDAB O=S(=O)(NCCCCn1cnnc1)N1CCC[C@@H]1c1ccco1 84432405 HSPZECAAZSLARA-CYBMUJFWSA-N 339.421 1.323 0 40 EDAB CCOC(=O)CN(CC1CC1)C(=O)c1cnc2ccccn2c1=O 95389737 ROOBVFPHTLNQCO-UHFFFAOYSA-N 329.356 1.110 0 40 EDAB C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cc(Cl)cnc1N 95467456 KBEAIDUCDYQHHR-SNVBAGLBSA-N 346.884 1.668 0 40 EDAB CN(CCS(C)(=O)=O)[C@H](CO)c1cccc(Br)c1 95980914 FSEAHXLYCCGAJL-GFCCVEGCSA-N 336.251 1.459 0 40 EDAB CN1CCO[C@@H](C(=O)N2CCC(c3nc4c(F)cccc4[nH]3)CC2)C1 85540843 SMZDVRRBTPZFAV-OAHLLOKOSA-N 346.406 1.739 0 40 EDAB Cc1cc(C)n2c(CCCNC(=O)c3ccc(C)[nH]c3=O)nnc2n1 75119057 NXZBGHYODUKEAG-UHFFFAOYSA-N 340.387 1.100 0 40 EDAB Cn1nccc1CNC(=O)Nc1cc(Br)c(=O)n(C)c1 89749922 NWNVVWBDMLDMDT-UHFFFAOYSA-N 340.181 1.203 0 40 EDAB COc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C)cc2)c1 408550137 ABVYXKQJTPBPEO-UHFFFAOYSA-N 341.367 1.697 0 40 EDAB CC(C)OCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408707418 ALQWGEVDXUQRST-UHFFFAOYSA-N 347.415 1.449 0 40 EDAB C[C@H](C(=O)O)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 517564789 IBWDCCPNPNMAFY-JSGCOSHPSA-N 333.388 1.910 0 40 EDAB Cn1ccnc1N1CCC(NC(=O)c2coc3c2C(=O)CCC3)CC1 518903991 ZMBBOARBRYCZMI-UHFFFAOYSA-N 342.399 1.931 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccco2)[C@H]1c1ccccc1F 72241585 BTQMBHTWTWBMGG-HZPDHXFCSA-N 332.331 1.633 0 40 EDAB CC(C)(C)c1ccccc1OCCNC(=O)N1CCO[C@@H](CO)C1 78961629 HWJRYTWYBPDYON-CQSZACIVSA-N 336.432 1.766 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 32100521 NICZJRGRDMXLGG-UHFFFAOYSA-N 333.413 1.195 0 40 EDAB COc1ccc2c(C)c(CCC(=O)N[C@H](C)C(=O)O)c(=O)oc2c1 5956835 SDSWYPQQXDOHLP-SNVBAGLBSA-N 333.340 1.632 0 40 EDAB biogenic O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccnc1O 31239691 VBOIIMZJARJHRY-UHFFFAOYSA-N 340.427 1.729 0 40 EDAB CN(C)c1ccc(NC(=O)C(=O)NC[C@H](O)Cc2ccccc2)cc1 70639392 JHAWDFAJBSMPFA-QGZVFWFLSA-N 341.411 1.411 0 40 EDAB Cc1c(OCC(=O)Nc2cccc(Cl)c2)c(=O)ccn1CCO 44921091 LRDKGYJBGBNUSL-UHFFFAOYSA-N 336.775 1.820 0 40 EDAB CCNC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3CC)[nH]c(=O)c21 40390541 KCUIPDAMCAQWSZ-MNOVXSKESA-N 347.419 1.101 0 40 EDAB O=S(=O)(NCc1cccnc1-c1ccsc1)N1CCOCC1 225649745 CJXNNICIHXTWJG-UHFFFAOYSA-N 339.442 1.477 0 40 EDAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCN3C2=O)c1 44891897 CHDHQBHHYGBQGP-DZGCQCFKSA-N 332.356 1.056 0 40 EDAB Cc1ccc(CNS(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1 223294529 QLSUOUPLCUVWKU-UHFFFAOYSA-N 334.397 1.338 0 40 EDAB Cc1nn(C)c2nccc(N3CCC[C@H](S(=O)(=O)N(C)C)C3)c12 575603884 QOVSKRMBBYQCPU-LBPRGKRZSA-N 337.449 1.137 0 40 EDAB CC(C)OCCN1CCN(C(=O)Cn2ncc3ccccc32)CC1 80483287 BTCBNEUPMSNGQH-UHFFFAOYSA-N 330.432 1.606 0 40 EDAB Cc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)o1 223240369 GMTVGZRPALWRME-CYBMUJFWSA-N 341.371 1.690 0 40 EDAB O[C@@H]1C[C@H]2CN(CCc3ccccc3)CC3(CN(C4CCC4)C3)N2C1 514288825 FVSCHWJPKFLHNI-VQTJNVASSA-N 341.499 1.587 0 40 EDAB biogenic,in-vitro CCn1cc(S(=O)(=O)N[C@H](C)c2noc(C(F)(F)F)n2)cn1 583651725 RUCXVJGCXJFENB-ZCFIWIBFSA-N 339.299 1.344 0 40 EDAB COc1ccc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 96055014 ARRYSNRQDNUHPZ-SJLPKXTDSA-N 340.427 1.823 0 40 EDAB Fc1cnc(N2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)nc1 96063387 WTRWUKJKXSTUBW-GDBMZVCRSA-N 333.367 1.267 0 40 EDAB O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cnc[nH]1 96445589 VBORDMDAGJJSBR-UHFFFAOYSA-N 326.400 1.621 0 40 EDAB COCCN1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1=O 96223939 GSLXFRCQKFLNMB-IBGZPJMESA-N 345.443 1.857 0 40 EDAB CN1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)c3cnn(C)c3)C2)C1 96220700 QOHWHEGSNVQIBK-FUHWJXTLSA-N 332.448 1.241 0 40 EDAB CN(CC(=O)Nc1cc(F)cc(F)c1)c1ncnc2nc(N)ccc12 97104602 QIEFPABWPBXTFQ-UHFFFAOYSA-N 344.325 1.960 0 40 EDAB COc1ccccc1CN1CCO[C@@H]2[C@@H]1CC[C@H]2OCC(=O)N(C)C 96041576 VYNGIGUHHLSYSA-KVSKMBFKSA-N 348.443 1.532 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(CC2CCOCC2)C1 96057751 WQJXUVVOLFGHAN-CGTJXYLNSA-N 345.443 1.926 0 40 EDAB Cn1cc(-c2ncnc3c2CCN(C(=O)c2cccn2C)CC3)cn1 96255207 YITCMQXAEQEPOL-UHFFFAOYSA-N 336.399 1.457 0 40 EDAB O=C([C@H]1CCOC1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96224351 NLPVFKUVNPCZAZ-QFBILLFUSA-N 343.427 1.459 0 40 EDAB COC[C@H](C)S(=O)(=O)NC1CCN(Cc2ccccc2F)CC1 96410367 RVQGSWCXZKSYHJ-ZDUSSCGKSA-N 344.452 1.744 0 40 EDAB CCc1nnc(CN(C)[C@H]2CC(=O)N(Cc3ccccc3)C2=O)s1 96502085 PXJDKQQARSMUND-ZDUSSCGKSA-N 344.440 1.860 0 40 EDAB CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc(F)cc1 96041488 APFLKPZFZMSYCO-GVDBMIGSSA-N 336.407 1.776 0 40 EDAB C[C@@]1(c2nc(-c3ccc(N4CCCC4)nc3)no2)CCC(=O)NC1 585084007 BGLJBGOKWNJGOC-QGZVFWFLSA-N 327.388 1.900 0 40 EDAB O=C(c1c[nH]nc1-c1ccccn1)N1CCN([C@H]2CCOC2)CC1 585084918 CKVWFBPKJFJIFX-ZDUSSCGKSA-N 327.388 1.018 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)cs1 257277231 NWZBUTFGABYMKE-AWEZNQCLSA-N 349.460 1.379 0 40 EDAB CC(=O)N1CCN(C(=O)CCc2ccnn2C)[C@@H](c2ccccc2)C1 257240077 HRYSMQMEUOOIPV-GOSISDBHSA-N 340.427 1.785 0 40 EDAB COc1ccc(C[C@H]2COCCN(C(=O)c3cnccn3)C2)cc1 257267532 MHRNHFPWZAICOY-OAHLLOKOSA-N 327.384 1.817 0 40 EDAB NC(=O)[C@@H]1CN(CCc2ccc(F)cc2)CCN(C2CCOCC2)C1 257309051 TZHZXICUKNIDLU-MRXNPFEDSA-N 349.450 1.266 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1 257237215 HFPNJIVECVOBTE-INIZCTEOSA-N 329.404 1.278 0 40 EDAB CNC(=O)c1cnn(CC2CCN(CC3(O)CCCCC3)CC2)c1 257327669 XCFQWGBSHZQFNF-UHFFFAOYSA-N 334.464 1.650 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ncoc3C)CC2)C[C@@H](O)C1(C)C 257258584 KUQXXUYNRSQDMO-CQSZACIVSA-N 349.431 1.597 0 40 EDAB CCc1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)no1 257338363 YXAJFJJBINPMRG-HOTGVXAUSA-N 331.372 1.677 0 40 EDAB COc1ccc(CNC(=O)N2CCN(C3CC3)CC2)c(OC)c1OC 264310891 QHPBUNGTRFMNRT-UHFFFAOYSA-N 349.431 1.702 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c1 274918309 APLQSTCEXUIOSA-UHFFFAOYSA-N 327.402 1.463 0 40 EDAB C[C@H](CO)N(C)S(=O)(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 1615585286 AKTMTDNYFQXRKQ-OASPWFOLSA-N 348.262 1.947 0 40 EDAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)C1CC2(C1)CS(=O)(=O)C2 1616032995 XUFFXRWPABOBES-UHFFFAOYSA-N 345.323 1.771 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H](Cn2ccnn2)C(C)C)ccc1F 575607875 KQPORNYPTNJMGJ-CQSZACIVSA-N 326.397 1.729 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccsc3)[C@H]2C1 575405767 TYFWDKBQZWANMJ-COWZWYNKSA-N 334.441 1.607 0 40 EDAB COc1ccc(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1OC 575423996 QNPYMCLOKDVUHX-LBPRGKRZSA-N 327.402 1.005 0 40 EDAB COc1nc(CNC(=O)Nc2ccc(F)c(F)c2)nc(N(C)C)n1 575604103 QNLNUMFSUUAKRJ-UHFFFAOYSA-N 338.318 1.546 0 40 EDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)c3n[nH]cc3Cl)CCO2)cc1 585279349 YIGAOPPZGZNQHM-KRWDZBQOSA-N 349.818 1.818 0 40 EDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)CCc1cc(Cl)no1 585277646 JSXLGGDCQUULLD-OAHLLOKOSA-N 343.811 1.404 0 40 EDAB CNC(=O)[C@@H]1CN(C(C)C)CCN1C(=O)c1cc2cc(F)ccc2[nH]1 585168385 DORBVLPIIALRMY-INIZCTEOSA-N 346.406 1.588 0 40 EDAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(C2CC2)CC1 71836789 PRIFJNFJSZKPTP-OAHLLOKOSA-N 331.441 1.796 0 40 EDAB O=C(CN1CCC[C@H]1c1ccc[nH]1)NC1CCC2(CC1)OCCO2 77171224 LIFBWKHTCYONKT-INIZCTEOSA-N 333.432 1.954 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)C3CC3)CC2)s1 85467054 SUKJHNYTXOTJHA-ZDUSSCGKSA-N 330.475 1.134 0 40 EDAB Cc1cc(N2CCC(NC(=O)CCc3cnn(C)c3)CC2)nc(C)n1 96454891 NZWQXHGWMWTDFI-UHFFFAOYSA-N 342.447 1.545 0 40 EDAB CC1(S(=O)(=O)N2CCC(Cc3ncc(C(=O)O)s3)CC2)CC1 1616035327 XKJGCHPQKFUGEO-UHFFFAOYSA-N 344.458 1.978 0 40 EDAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OCC 5018805 PMTSCRYMLNQWNX-YRNVUSSQSA-N 334.328 1.461 0 40 EDAB Cc1c(C(=O)NCCCCn2ccnc2)sc2ncn(C)c(=O)c12 12147249 YDRVGKJZIXVAEW-UHFFFAOYSA-N 345.428 1.710 0 40 EDAB COc1ccccc1C[C@@H](C)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 12196680 ACUBDKJITCKJJW-SJKOYZFVSA-N 342.399 1.669 0 40 EDAB O=C(NCCCN1CCCC1=O)c1nc(-c2ccc(F)cc2)no1 12323043 HDNXJMHNUWBDCN-UHFFFAOYSA-N 332.335 1.618 0 40 EDAB C[C@H](Cc1ccc(Br)cc1F)NS(=O)(=O)N(C)C 71889156 LBXUUVDKBAIYIU-MRVPVSSYSA-N 339.230 1.915 0 40 EDAB Cc1ccccc1CCC(=O)N1CCC(N2C(=O)COCC2=O)CC1 575608066 LQSBFYMERFGSAW-UHFFFAOYSA-N 344.411 1.304 0 40 EDAB c1cnn(-c2cc(N3CCN(c4ccnc(C5CC5)n4)CC3)ncn2)c1 1888899266 AHDXDBAFIYLBJI-UHFFFAOYSA-N 348.414 1.656 0 40 EDAB COc1ccccc1[C@H]1CN(C(=O)c2cnccn2)CCN1C(C)=O 1848352030 DDHJFFMTHZXPNL-MRXNPFEDSA-N 340.383 1.531 0 40 EDAB O=C1OCCN1[C@@H]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 853806254 BHWJZNIMTFUFNU-MRVPVSSYSA-N 342.281 1.174 0 40 EDAB Cc1c(C(=O)N2C[C@@H](O)[C@H](N3CCOCC3)C2)c2ccccc2n1C 2037689996 RKYTWIZRZYUIJW-IAGOWNOFSA-N 343.427 1.004 0 40 EDAB Cc1cn(CC2(O)CCN(C(=O)OC(C)(C)C)CC2)c(=O)nc1O 2037844036 LHXNLLSXYRCPPT-UHFFFAOYSA-N 339.392 1.019 0 40 EDAB CS(=O)(=O)CCN1C[C@@]2(CCCN(CC3CCCCC3)C2)C1=O 1565541566 OQARZZZWLYQCMG-KRWDZBQOSA-N 342.505 1.536 0 40 EDAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccco4)cnc32)cc1 10251682 ZTXPZVSDIVWEPJ-UHFFFAOYSA-N 335.323 1.868 0 40 EDAB Cc1nc(S(=O)(=O)NCc2ccnc(-c3cnn(C)c3)c2)cn1C 575617450 BBAJHDOKQXCQDW-UHFFFAOYSA-N 346.416 1.003 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)N1CCN(c2ccccc2O)CC1 585149840 SZUMQTUBLJZQNL-XJKSGUPXSA-N 345.443 1.449 0 40 EDAB CCC(CC)C(=O)NCCn1nc([C@H]2CCNC2)c2nccnc21 19500269 LCMXODQXAXYBDT-ZDUSSCGKSA-N 330.436 1.456 0 40 EDAB COc1ccccc1-c1cc(C(=O)N[C@@H](CO)CCSC)[nH]n1 118987274 COINCIBFAUPFDJ-LLVKDONJSA-N 335.429 1.929 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)c(=O)[nH]1 30800734 DICJUVWRTRMOAU-CQSZACIVSA-N 333.432 1.503 0 40 EDAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(=O)[nH]n1 31329510 PBPNOQUSDLZMQH-UHFFFAOYSA-N 327.262 1.941 0 40 EDAB CC[C@@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)OC 40462361 DRKZYUVRDZGBKV-ZWNOBZJWSA-N 339.417 1.160 0 40 EDAB COc1ccc(-c2cc(CNC(=O)CN3CCOCC3)on2)cc1 20387942 KWNJKVXVOOPLJU-UHFFFAOYSA-N 331.372 1.299 0 40 EDAB O=C(N[C@@H](CO)Cc1ccccc1)c1cc(F)ccc1-n1cnnn1 20738695 XODXWWCJLIMXLP-CQSZACIVSA-N 341.346 1.135 0 40 EDAB CCN(CC)C[C@@H](O)Cn1c2c(c3ccccc31)CCN(C)C2=O 202096 NUXCKAZLYDJUGI-CQSZACIVSA-N 329.444 1.972 0 40 EDAB biogenic CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCc1cn[nH]c1C 76432581 OFIILVVMVIJGBU-KRWDZBQOSA-N 326.400 1.745 0 40 EDAB COc1ccc(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)cc1N1CCNC1=O 78896612 XAGURPWOALFKTE-DOMZBBRYSA-N 346.431 1.247 0 40 EDAB COc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)cc1C(=O)N(C)C 79482561 ZVWVSIHKBJFOFV-QWHCGFSZSA-N 334.372 1.692 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1cccnc1SC(F)F 32889108 MOPNBLSPAMIPQQ-UHFFFAOYSA-N 325.344 1.864 0 40 EDAB C[N+](C)=c1sc2c(O)c3sc(=[N+](C)C)sc3c(O)c2s1 3847095 DIYNECQZZBZTBD-UHFFFAOYSA-P 346.524 1.714 0 40 EDAB CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc2c(c1)OCO2 4279675 QCYFMHFFTPGYOH-CHWSQXEVSA-N 348.384 1.637 0 40 EDAB CCc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2CCN1CCOCC1 6669087 YTMAYQWAZDEHNQ-QGZVFWFLSA-N 331.416 1.105 0 40 EDAB CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(C)ccc1OC 7685174 RHHULHYRCFEONU-UHFFFAOYSA-N 342.461 1.929 0 40 EDAB Cc1ccc(N2N=C(C(=O)NCc3nc(C)cs3)NCC2=O)cc1 32970512 UKESHDACOBJFCS-UHFFFAOYSA-N 343.412 1.326 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cnccn1 418345 YHHYLARVBAANQB-UHFFFAOYSA-N 332.385 1.513 0 40 EDAB Cc1nc2cc(F)cc(C(=O)N[C@H](C)CN3CCOCC3)c2nc1C 53231533 UIKBLNIWHRWFTM-LLVKDONJSA-N 346.406 1.836 0 40 EDAB C[C@H](NC(=O)COc1ccc(C2SCCCS2)cc1)C(N)=O 53330028 QMLYBCKKRAXHQA-JTQLQIEISA-N 340.470 1.924 0 40 EDAB C[C@@H](Oc1cccc(C(=O)NCCO)c1)C(=O)N(C)C1CCCCC1 69968997 UOHBYUABOITRGW-CQSZACIVSA-N 348.443 1.967 0 40 EDAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1nc2nc(C)cc(C)n2n1 103501691 YROSOFPUEADKOQ-AWEZNQCLSA-N 348.366 1.963 0 40 EDAB COc1ccc(CC(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OC)c(OC)c1 105974915 ZPRRCHYILNCFHS-MPGHIAIKSA-N 335.400 1.651 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 42071014 PXJGJMZAGSAOKF-AWEZNQCLSA-N 344.864 1.813 0 40 EDAB CCC(=O)Nc1ccc(O)c(C(=O)NCCN2CCCCCC2=O)c1 53809312 MJIBDTWFUWGCNX-UHFFFAOYSA-N 347.415 1.873 0 40 EDAB O=C1NC(=O)[C@H](CC(=O)N2CCC(c3nc4ccccc4o3)CC2)N1 42813638 MIGNQGVOMMIJDO-LBPRGKRZSA-N 342.355 1.132 0 40 EDAB O=C(NCc1ccccc1OC(F)F)N[C@@H]1CCS(=O)(=O)C1 54976388 FPNJGQKUMVGKLZ-SNVBAGLBSA-N 334.344 1.274 0 40 EDAB COc1cc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc(OC)c1O 101708387 ZWEAVAZXBZXPFP-VIFPVBQESA-N 333.340 1.602 0 40 EDAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)nc1 24601544 QCTWKNBQTRMVPZ-UHFFFAOYSA-N 341.367 1.942 0 40 EDAB NC(=O)CCS(=O)(=O)Cc1ccc(OCC(F)(F)F)cc1 55213176 PDXREEBWZFBFPO-UHFFFAOYSA-N 325.308 1.418 0 40 EDAB CN(C)c1ccc(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)cn1 48091115 GISYHNILXNGFNE-UHFFFAOYSA-N 348.428 1.873 0 40 EDAB CCOC(=O)[C@@H]1CSCCN1Cn1nc2ccccn2c1=S 24972645 UKAXBEOZPSRSSB-NSHDSACASA-N 338.458 1.803 0 40 EDAB O=C(NC[C@@H](O)COc1ccccc1)Nc1nnc(C2CC2)s1 43359185 LJKLJRKKIHVZJF-LLVKDONJSA-N 334.401 1.977 0 40 EDAB CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(=O)n(CCOC)c1 106662030 YLEBGGIDHIYHPA-IAGOWNOFSA-N 347.459 1.584 0 40 EDAB Cc1cc(C)cc(CN2CCN3C[C@H](C(=O)O)CN(C)C[C@H]3C2)c1 107200935 HAAJGIZHSDYHTL-MSOLQXFVSA-N 331.460 1.436 0 40 EDAB O=C(Cc1cccc(F)c1)NC1CCN(CC(=O)N2CCCC2)CC1 56808931 SIWHOZJXWJLPKI-UHFFFAOYSA-N 347.434 1.571 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@@H](C)N1CCc2sccc2C1 48261042 DEBILWDFUYFVIM-GFCCVEGCSA-N 348.476 1.606 0 40 EDAB C[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 48230673 JKMQESRWUJGUNX-LLVKDONJSA-N 331.397 1.938 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)NCCc2cccs2)CC1 26310864 UDZMKIBWXOMDAF-UHFFFAOYSA-N 345.490 1.404 0 40 EDAB C[C@@H](C(=O)NC(N)=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57358886 OJKPSVJEPYZHLC-JTQLQIEISA-N 344.337 1.411 0 40 EDAB CCc1c(C)nn2c(O)cc([C@H]3CCN(C(=O)[C@@H]4CCCO4)C3)nc12 100147069 OKPNFFVVVUAYQO-WFASDCNBSA-N 344.415 1.801 0 40 EDAB COC[C@H](C)NC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 57775572 XNENIBOTDWAWDW-JOYOIKCWSA-N 336.310 1.953 0 40 EDAB O=C([C@@H]1CCCN1Cc1ccc(N2CCCC2)nc1)N1CCOCC1 97032587 GVYBPGFFRHCDAR-KRWDZBQOSA-N 344.459 1.505 0 40 EDAB CC(C)c1nc(CNCc2ccc(C(=O)NCC(N)=O)cc2)cs1 58165815 NSWOFAFYMWYHSX-UHFFFAOYSA-N 346.456 1.771 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@@H]1C2 306132741 LQSUKKYFXLLQKM-KBPBESRZSA-N 345.472 1.782 0 40 EDAB CC(C)N1CC[C@@H](CNC(=O)CCc2nc(-c3cccnc3)no2)C1 58283668 SBJLHJFWXKVIPF-AWEZNQCLSA-N 343.431 1.911 0 40 EDAB CCN1C[C@@H](C(=O)NCc2ccnc(-n3ccnc3C)c2)CC1=O 44942242 HGMJOBLEWSNXCZ-AWEZNQCLSA-N 327.388 1.060 0 40 EDAB CN(CCCN1C(=O)NC(C)(C)C1=O)C[C@H]1COc2ccccc2O1 44975108 AQRRTQRQEJOUQD-ZDUSSCGKSA-N 347.415 1.479 0 40 EDAB CCN(CCc1ccccc1)Cc1nc2c(c(=O)[nH]c(=O)n2C)n1C 58343099 JNZBWTSZSVFLAT-UHFFFAOYSA-N 341.415 1.025 0 40 EDAB CCCN1CCC(N(C)C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 58312506 MFCNSUBCRFLYJX-UHFFFAOYSA-N 342.447 1.538 0 40 EDAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC)cc1 408710164 QRHYKRANYPOMSB-UHFFFAOYSA-N 339.395 1.864 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)s1 28327495 TTWOFIMPHJLJOB-SKDRFNHKSA-N 332.447 1.230 0 40 EDAB O=C1CSCN1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 28324850 PHZVQMJZKPZHRU-ZDUSSCGKSA-N 348.424 1.654 0 40 EDAB CCNC(=O)CSc1nnc(N2CCCC2)n1Cc1ccco1 11429078 HCCLCDKKGTYOOJ-UHFFFAOYSA-N 335.433 1.748 0 40 EDAB CS(=O)(=O)CCNCC1CCN(C[C@@H](O)c2ccccc2)CC1 69564926 RLKYKJFFDYTBHD-QGZVFWFLSA-N 340.489 1.066 0 40 EDAB CCCCn1c(S[C@H](C)C(=O)Nc2cc(C)on2)n[nH]c1=O 13013157 VRVXGZMYARKELE-SECBINFHSA-N 325.394 1.787 0 40 EDAB O=C(Nc1nnc2ccccn12)c1ccc(N2CCOCC2)c(F)c1 69570947 CGFWSJXPDGQTBE-UHFFFAOYSA-N 341.346 1.957 0 40 EDAB CN(CCN1CCOCC1)C(=O)CCOc1ccccc1Cl 69569539 BFWMGQMUVPEYPD-UHFFFAOYSA-N 326.824 1.900 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCNCc2cccnc2Cl)C[C@@H](C)O1 69699264 IJIXOZOLUWJXLR-TXEJJXNPSA-N 347.868 1.264 0 40 EDAB Cc1cc(C)n(CCC(=O)N2CCCN(Cc3cnn(C)c3)CC2)n1 69652549 BKWBNDKPPVXWJZ-UHFFFAOYSA-N 344.463 1.358 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 5032457 AXKHQRVNOACHQQ-UHFFFAOYSA-N 334.353 1.358 0 40 EDAB O=S1(=O)CC[C@@H](N(Cc2ccnc(Cl)c2)C[C@H]2CCCO2)C1 69778729 DDVLJMRMHIGJDQ-ZIAGYGMSSA-N 344.864 1.903 0 40 EDAB C[C@@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)[C@@H]1CCCO1 65434425 PMXNQOTWXLSPRR-ZBFHGGJFSA-N 347.463 1.200 0 40 EDAB CC1(C)COCCN1CCNS(=O)(=O)c1ccccc1Cl 65550224 WHWQKGNCIGVYFW-UHFFFAOYSA-N 332.853 1.729 0 40 EDAB CCNC(=O)NCCCOC(=O)Cc1csc(-c2cnccn2)n1 65551305 GNPNKJJQTGNMBE-UHFFFAOYSA-N 349.416 1.395 0 40 EDAB COc1ccccc1N1CC[C@H](CNC(=O)NC[C@@H]2CCCO2)C1 65590410 YWQKQMOYZXQYHN-CABCVRRESA-N 333.432 2.000 0 40 EDAB CCOc1ccc([C@H]2CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)cc1 14136272 GRASILOHYUWVNC-OAHLLOKOSA-N 343.383 1.299 0 40 EDAB CCNC(=O)COC(=O)c1cc(Br)c(O)c(OC)c1 14199579 RCBNFCWWOWKKAZ-UHFFFAOYSA-N 332.150 1.456 0 40 EDAB C[C@H]1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C[C@@H](C)O1 14118694 JKYOHQSGVMMINS-IYBDPMFKSA-N 347.459 1.567 0 40 EDAB CS(=O)(=O)N1CCN(Cn2ccc(-c3ccsc3)n2)CC1 65603928 XUQUSPWGGRUESN-UHFFFAOYSA-N 326.447 1.146 0 40 EDAB COc1ccccc1CNC(=O)N1CCN(c2ncccn2)CC1 14252487 FLSWJYFJGFHDCQ-UHFFFAOYSA-N 327.388 1.517 0 40 EDAB Cc1cccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2ccco2)CN3)c1 5487232 RLBGBHJFDIHXDI-UHFFFAOYSA-N 338.367 1.812 0 40 EDAB Cc1cccc(COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)c1 14319238 XGUQCXPUSAMQGC-UHFFFAOYSA-N 346.412 1.619 0 40 EDAB COCCN(C(=O)COc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 4749866 QDHOCDGQPXTLMJ-AWEZNQCLSA-N 341.429 1.036 0 40 EDAB CCOc1ccc(N2C[C@H](C(=O)N[C@H]3CCSC3=O)CC2=O)cc1 4732146 ALHUPTWCFFZPKQ-RISCZKNCSA-N 348.424 1.587 0 40 EDAB COCCNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 15272608 MMNJJRXWTCZQTQ-ZDUSSCGKSA-N 340.445 1.626 0 40 EDAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 72234671 ZTSBGZLMYCKHCK-CYBMUJFWSA-N 342.465 1.109 0 40 EDAB CC(=O)N(CCc1ccccc1)CC(=O)N1CCOCC12CCC2 90690638 UWVNBWLEZNABDV-UHFFFAOYSA-N 330.428 1.859 0 40 EDAB Cc1cc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)nnc1C 72291863 KTHKGFVFWPHMHY-SFHVURJKSA-N 342.443 1.655 0 40 EDAB COc1cc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)cc(OC)c1 7920000 XIHRXKKGDRLBCN-ZDUSSCGKSA-N 345.442 1.563 0 40 EDAB COC[C@H](C)NC(=O)NC(=O)CN1Cc2ccccc2N(C)C[C@@H]1C 83248814 KCSAZVHNDLVOKO-KBPBESRZSA-N 348.447 1.188 0 40 EDAB NC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1N 9363660 AAFWRDIFGXWBMJ-UHFFFAOYSA-N 349.807 1.280 0 40 EDAB Cc1cnn(CCC(=O)NCC(=O)Nc2cccc3cccnc23)c1 69328952 LLJBJMDTBZZKKX-UHFFFAOYSA-N 337.383 1.885 0 40 EDAB c1cncc(-c2noc(CN3CCO[C@H](Cn4cccn4)C3)n2)c1 69392463 XNOCDVVTYLEMPA-AWEZNQCLSA-N 326.360 1.229 0 40 EDAB NS(=O)(=O)c1cccc(CNc2cc(N3CCCCC3)ncn2)c1 91429631 RKSDDSUSJGENJJ-UHFFFAOYSA-N 347.444 1.726 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCC[C@@H]1c1ccc[nH]1 69419321 AURYUUWFNRJZHK-OAHLLOKOSA-N 339.399 1.874 0 40 EDAB COc1ccc(C(=O)N2CCCN(Cc3cscn3)CC2)cn1 71793217 UIHCVQXVORDGGX-UHFFFAOYSA-N 332.429 1.895 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCC(Cc2ccccc2F)CC1 83609366 YSLUNJMXECSALI-UHFFFAOYSA-N 328.409 1.156 0 40 EDAB Cc1cnn(CCC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 71841501 JYIAOWWVLDIJHO-AWEZNQCLSA-N 332.379 1.181 0 40 EDAB C[C@@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1nnnn1C1CC1 71859160 FMHMHNVDCWHACM-MLMJSJRWSA-N 325.438 1.094 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(=O)n2ccccc2n1 71885744 WAIVBTJESOKJRU-MRXNPFEDSA-N 334.379 1.107 0 40 EDAB CN([C@H](C(N)=O)c1ccc(F)cc1)[C@@H]1CCCN(c2cccnn2)C1 71859742 HQICCNTZSRBZKT-WBVHZDCISA-N 343.406 1.743 0 40 EDAB C[C@H](O)CN1CCN(C(=O)[C@H](c2ccccc2)N2CCCC2)CC1 71875841 MYZOZYSLZRDLOX-WMZOPIPTSA-N 331.460 1.349 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)N(Cc2ccccc2)C2CC2)C[C@H]1C 71864578 ZQKVZJYWTZTDMC-IAGOWNOFSA-N 345.487 1.565 0 40 EDAB O=C1C[C@@H](NCc2cnc(N3CCCC3)nc2)CN1c1ccccc1 71832878 RVDNOAADYKDIHA-MRXNPFEDSA-N 337.427 1.972 0 40 EDAB CCOC(=O)C[C@H](OC(=O)CCCNC(=O)C1CC1)c1cccnc1 71913674 KTIDGNRCUUUYLQ-HNNXBMFYSA-N 348.399 1.926 0 40 EDAB COc1ccc(OC)c(NC(=O)N[C@H]2CCCS(=O)(=O)C2)c1 71921979 POWWKKFJPDLNDS-JTQLQIEISA-N 328.390 1.403 0 40 EDAB CC(C)(C)[S@@](=O)CCNC(=O)NC[C@H](O)c1ccccc1F 71909929 XVQZYQZBIIKJMM-WHEQGISXSA-N 330.425 1.706 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)NC[C@@H](C)CN2CCOCC2)c1 71915572 HOJCOVHEVCNYTB-ZBFHGGJFSA-N 348.443 1.741 0 40 EDAB COc1c(C(=O)NCCc2sc(N(C)C)nc2C)c(C)nn1C 95395717 MZFWJJVAUZTVSC-UHFFFAOYSA-N 337.449 1.541 0 40 EDAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCn2c(nnc2C2CC2)C1 84647176 GAGCDYCVGBWMDD-LLVKDONJSA-N 336.399 1.969 0 40 EDAB Cc1cc(=O)c(OCC(=O)Nc2ccc3occc(=O)c3c2)cn1C 95477421 ZXODQAQDFKLZRD-UHFFFAOYSA-N 340.335 1.818 0 40 EDAB CCOc1ncccc1C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 95402014 JXWLXSXLLMEREC-MRXNPFEDSA-N 346.475 1.722 0 40 EDAB Cc1cscc1C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 88212817 GVOQGWYHBXEABQ-AWEZNQCLSA-N 335.473 1.825 0 40 EDAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)Cc2ncnn2C)C1 73819666 LUPDVZCGOPUDEG-ZBFHGGJFSA-N 342.447 1.792 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 95966224 TZVSEOHCWBEICQ-GFCCVEGCSA-N 330.306 1.569 0 40 EDAB O=S(=O)(Cc1ccc(Cl)cc1Br)NCCO 95994918 IEMGIMAWFIXMAL-UHFFFAOYSA-N 328.615 1.514 0 40 EDAB CN1CCN(C(=O)NC(C)(C)C)[C@H](CNC(=O)OC(C)(C)C)C1 89487562 PPHXODHHHSQXRD-GFCCVEGCSA-N 328.457 1.635 0 40 EDAB O=C(Nc1ccc(-n2nccn2)cc1)N1CCN2CCCC[C@@H]2C1 89788412 VNBWBJQFCLXOPN-MRXNPFEDSA-N 326.404 1.969 0 40 EDAB O=C([C@@H]1COCCO1)N1CCN(CC(F)(F)F)c2ccccc21 89865596 ZCPGVIZHYNZWPB-ZDUSSCGKSA-N 330.306 1.817 0 40 EDAB CCN1C[C@H](C(=O)NCc2nnc(-c3ccccc3)s2)CC1=O 89977165 GNFMVKOSOGBJGZ-GFCCVEGCSA-N 330.413 1.690 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC)cc1 408588918 DCKYNYQPWSWMGP-RYUDHWBXSA-N 328.434 1.667 0 40 EDAB C[C@@H](NC(=O)NCC(=O)N1CCOCC1)c1ccc2c(c1)CCCC2 183437793 KIAVDRKENPIKON-CQSZACIVSA-N 345.443 1.784 0 40 EDAB Cc1cc(=O)c(OCC(=O)Nc2nc(-c3ccco3)n[nH]2)cn1C 524733940 GUTCAAVMUVFFBS-UHFFFAOYSA-N 329.316 1.089 0 40 EDAB COc1ccc2nnc(CCCC(=O)Nc3cc(C)n(C)n3)n2n1 79493432 FDKKYSRAPRCIJK-UHFFFAOYSA-N 329.364 1.136 0 40 EDAB O=C(C1CC1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395628 ZBYLALBVEXQVQC-NWDGAFQWSA-N 325.363 1.917 0 40 EDAB C[C@H](CCc1cccn1C)NS(=O)(=O)c1cccnc1C(=O)O 519823256 IVNLUYNYJXKMLP-LLVKDONJSA-N 337.401 1.418 0 40 EDAB CN(C(=O)CNC(=O)c1cc(F)cc(F)c1)[C@@H](CO)C(C)(C)C 126638426 CQQCIKORRKEDPT-ZDUSSCGKSA-N 328.359 1.560 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1 71289047 FICYDJNOJGQWTN-UHFFFAOYSA-N 334.353 1.213 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 72354676 LULGDGJNVZRHHH-CYBMUJFWSA-N 336.392 1.961 0 40 EDAB CO[C@@H](C(=O)N1CCN(Cc2noc(C)n2)CC1)c1ccccc1 79001527 UMDRAWOTIJBHKV-MRXNPFEDSA-N 330.388 1.410 0 40 EDAB CNC(=O)[C@@]1(C)CN(Cc2cnc(-c3ccccc3)nc2)CCO1 72379907 QBRGJOCOHZIRGA-GOSISDBHSA-N 326.400 1.481 0 40 EDAB CC(=O)N1CCN(C)[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 72367420 NVSNBDQZAQOBIO-SFHVURJKSA-N 344.459 1.025 0 40 EDAB O=C(NCc1cccc(-n2cncn2)c1)C1(O)Cc2ccccc2C1 73797944 KZWJOPUHHNYMAH-UHFFFAOYSA-N 334.379 1.413 0 40 EDAB O=C(c1ccc2[nH]cnc2c1)N1CCN(c2ncnc3[nH]cnc23)CC1 36360381 IFSAZLSVBHOSCG-UHFFFAOYSA-N 348.370 1.192 0 40 EDAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)s1 31814599 ZIIRCKQKFFRGMA-SECBINFHSA-N 336.373 1.265 0 40 EDAB CCN1CCN(C(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1 41185409 BQPCPVTUVRXXSX-UHFFFAOYSA-N 344.415 1.842 0 40 EDAB Cc1cc(N(C)C)nc([C@]2(C)CCCN2C(=O)c2cnccn2)n1 72388427 VHXZPTWNYYOHAN-KRWDZBQOSA-N 326.404 1.792 0 40 EDAB COCCOCCCNC(=O)CCc1nc(-c2cccnc2)no1 46744851 NQVBQRPETDJPAP-UHFFFAOYSA-N 334.376 1.234 0 40 EDAB Cc1ncc2c(n1)CC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)C2 574147626 DLNFONYFYBOPGP-JTQLQIEISA-N 339.321 1.825 0 40 EDAB O=C(NCCO)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 223379784 LTRAASTVTODSGY-UHFFFAOYSA-N 346.408 1.160 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2c(C)nn(C)c2C)c1 225884489 JUZBVYCSZYHTBG-UHFFFAOYSA-N 336.417 1.506 0 40 EDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)C(=O)Nc1ccn(C)n1 134244077 HQOFZHCGJIFZCI-AWEZNQCLSA-N 341.415 1.616 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(CCCc2ccc3c(c2)CCO3)C1 192637483 NZNHLMDXAQSNCF-MRXNPFEDSA-N 338.473 1.568 0 40 EDAB CCCS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(C)c(F)c(C)c2)C1 195547268 FRBFLSPLZBAAMT-AWEZNQCLSA-N 342.436 1.986 0 40 EDAB COc1c(C)cc(C(=O)N2CCC(N(C)CC(=O)O)CC2)cc1C 571524336 WPMKECFNGCLQCZ-UHFFFAOYSA-N 334.416 1.933 0 40 EDAB Cc1nn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)s1 192462945 OHNJBZOHABWMTO-UHFFFAOYSA-N 336.392 1.101 0 40 EDAB Cc1nn(C)c2cnn(CC(=O)Nc3nnc(CC(C)C)s3)c12 40714621 FSDGGZPSWFEFEQ-UHFFFAOYSA-N 333.421 1.767 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 576276270 BTYGCIHJPPRIEF-LBPRGKRZSA-N 341.364 1.362 0 40 EDAB CC(=O)N1CC[C@]2(COCc3cnc(NCc4ccco4)nc32)C1 96244224 AAIXSBIADYIMME-QGZVFWFLSA-N 328.372 1.702 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cccn2)cc1 96441201 OZFBDVCFJFEJCM-OCCSQVGLSA-N 333.413 1.484 0 40 EDAB O=C(CN1CCC[C@@](O)(c2cnn[nH]2)C1)N(C1CCCC1)C1CC1 583617935 LTVSHMVQLJLWQY-KRWDZBQOSA-N 333.436 1.022 0 40 EDAB CCn1cnnc1[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc32)CCO1 583622874 WHCRJSUMCWAWBK-GOEBONIOSA-N 341.415 1.721 0 40 EDAB CC(C)c1cc(C(=O)NCCCN(C)C)nc(N2CCOCC2)n1 96100966 KGKWZAXUHLLPKV-UHFFFAOYSA-N 335.452 1.118 0 40 EDAB Cn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCCC2)CC3)cn1 96197452 WGJHYKVAGOUPAL-UHFFFAOYSA-N 342.447 1.552 0 40 EDAB C[C@H]1CN(Cc2cccc(NC(=O)CCn3cncn3)c2)C[C@@H](C)O1 96414504 KRHUDOCNJDOHPP-GASCZTMLSA-N 343.431 1.916 0 40 EDAB CCc1ccc(CN2Cc3[nH]nc(C(=O)N4CCN(C)CC4)c3C2)o1 96187526 HRHHIZGKDVXZAU-UHFFFAOYSA-N 343.431 1.469 0 40 EDAB CSc1ccc([C@@H](O)CNS(=O)(=O)c2cnn(C)c2)cc1 96103238 NVCQIYWFTFXCNJ-ZDUSSCGKSA-N 327.431 1.154 0 40 EDAB COCC(=O)N1CC[C@@]2(CN(C)C[C@@H]2COCc2ccccn2)C1 96220437 LXMZBBCNXHOTHA-CRAIPNDOSA-N 333.432 1.025 0 40 EDAB O=C(c1ccccc1)N1C[C@@H]2CCCO[C@@H]2[C@H](N2CCOCC2)C1 96040619 OSMSXIQXZNCJFS-KSZLIROESA-N 330.428 1.638 0 40 EDAB Cc1oncc1C(=O)N1CCc2c(CN3CCOCC3)cncc2C1 96067408 UMJMGNPVJOSCFQ-UHFFFAOYSA-N 342.399 1.409 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)NCCc2n[nH]c(=S)n2C)c1 96436351 VZJNBLGAOWXEKR-UHFFFAOYSA-N 342.428 1.944 0 40 EDAB CN1CCN(C(=O)c2n[nH]c3c2CCN(Cc2ccsc2)C3)CC1 96058580 NVECPQCUTODBKF-UHFFFAOYSA-N 345.472 1.417 0 40 EDAB CC(C)OC(=O)[C@H]1[C@@H](c2cccnc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101341 QKICAXGIFLFMLC-DXCKQFNASA-N 331.372 1.517 0 40 EDAB CCNC(=O)c1c2c(N3CCN(C)CC3)ncnc2n2ccccc12 96264413 JKMCPSRPFTUEOV-UHFFFAOYSA-N 338.415 1.384 0 40 EDAB Cn1ncnc1CNC(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 96439993 LVCKMZDTSIIZOJ-NSHDSACASA-N 336.346 1.171 0 40 EDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(N)CN)cc1 242750503 ZOWPSFGVHIFVRO-ZACQAIPSSA-N 332.425 1.291 0 40 EDAB O=C([C@H]1CCCO1)N1CCC[C@]2(COCCN(c3ncccn3)C2)C1 247832277 LLCMZMWIWGXGEU-QAPCUYQASA-N 346.431 1.101 0 40 EDAB COc1cccc(-n2cc(NS(=O)(=O)C[C@@H](C)OC)nn2)c1 585129562 NSJJOIQEARBMNW-SNVBAGLBSA-N 326.378 1.053 0 40 EDAB O=C(Cc1ccc(F)cc1F)N1CC[C@H](c2cc(O)nc(O)n2)C1 585126687 GAMOCVBPLRQFNJ-JTQLQIEISA-N 335.310 1.725 0 40 EDAB Cc1cc(CN(C)Cc2c(I)cnn2C)no1 585136807 TWBPCCWGWICBIN-UHFFFAOYSA-N 346.172 1.953 0 40 EDAB CO[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CC[C@@]12CCCO2 257301285 RXTJGDZLTIUGCQ-GJZGRUSLSA-N 347.383 1.923 0 40 EDAB Cc1cc(-c2cc([C@@H]3CCCN3S(=O)(=O)N(C)C)ccn2)[nH]n1 257265746 MACGSQRCIFXIEY-HNNXBMFYSA-N 335.433 1.723 0 40 EDAB CNC(=O)[C@]1(C)CN(Cc2ccc(Br)cc2)CCO1 257207615 BIMSCXSQJAXXJQ-AWEZNQCLSA-N 327.222 1.786 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2n[nH]c(=O)c3ccccc23)n1 257330482 XOPUBQXWRCWOSY-ZDUSSCGKSA-N 339.355 1.168 0 40 EDAB C[C@H]1CN(CCN(C)c2nnc(Cc3ccccn3)n2C)C[C@@H](C)O1 282055463 AJVNSENYEZFZQY-GASCZTMLSA-N 344.463 1.346 0 40 EDAB COC(=O)[C@@H]1CCc2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C1 601045219 ULCABENYWBJVLI-GFCCVEGCSA-N 328.372 1.883 0 40 EDAB CSCCc1ccccc1NC(=O)[C@@H]1Cn2c(C)nnc2CN1C 601720451 CATBHQSGSLIVOR-HNNXBMFYSA-N 345.472 1.945 0 40 EDAB CC(C)OC(=O)[C@]1(N2CCNCC2)C=CC(Br)=CC1 95936334 PWXPZGMJDVRPAI-AWEZNQCLSA-N 329.238 1.821 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cscn3)[C@H]2C1 575406328 WQVIMMXCNZCUEI-CYRBOEJBSA-N 335.429 1.002 0 40 EDAB Cc1cc(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)nc(O)n1 585276966 QMPBNEXDZJQJIP-KRWDZBQOSA-N 329.356 1.147 0 40 EDAB CN(Cc1ccccc1)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 585141675 YXIWPHDWYYCCRM-QGZVFWFLSA-N 344.459 1.523 0 40 EDAB O=C(N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1)C1(F)CCC1 585100999 RFNHLYCQLBHAFP-MRXNPFEDSA-N 332.379 1.714 0 40 EDAB CO[C@@]1(COc2cccc(F)c2)CCN(CC2(O)CCOCC2)C1 585279120 UZDBJDVBYBEAAB-SFHVURJKSA-N 339.407 1.837 0 40 EDAB CCN1CCN(CCC(=O)NCc2ccc(OC)cc2OC)CC1 75582123 LWHBZQFQCPZOKF-UHFFFAOYSA-N 335.448 1.348 0 40 EDAB Cn1ccnc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1=O 97113828 TXFVNBSDKAZOLK-OAHLLOKOSA-N 341.415 1.739 0 40 EDAB O=C1[C@@H]2CN(c3ncc(Cl)cn3)C[C@@H]2C(=O)N1Cc1ccccc1 664182402 ILYYPTKNMWOXMH-OKILXGFUSA-N 342.786 1.751 0 40 EDAB CN(c1ncnc2ccccc12)C1CN(c2ccc3nncn3n2)C1 952985985 DZHGVFTYOPMHNJ-UHFFFAOYSA-N 332.371 1.393 0 40 EDAB CC(=O)S[C@]12CCCN1C(=O)[C@]1(SC(C)=O)CCCN1C2=O 17064422 LRUYQQROGQPNAF-OKILXGFUSA-N 342.442 1.197 0 40 EDAB COCC(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19592758 MJOJSCYBPHCUIV-UHFFFAOYSA-N 333.413 1.851 0 40 EDAB CCc1noc(CCC(=O)N2CC[C@H](C(=O)NC3CCCC3)C2)n1 19750493 LWNFMMMJIWBIGD-LBPRGKRZSA-N 334.420 1.472 0 40 EDAB COC(=O)C[C@H]1CN=C(Nc2nc(C)c3ccccc3n2)NC1=O 19957404 WUHZVKNTWMAKPX-JTQLQIEISA-N 327.344 1.015 0 40 EDAB O=C(NCc1ccccc1)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 4986750 LQEBVUSYEMWLJW-SJORKVTESA-N 339.395 1.970 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@@H](n2ccnn2)C1 206934999 CIMYKLBRFVDMRR-OAHLLOKOSA-N 332.429 1.793 0 40 EDAB COC1(CNC[C@@H]2CCCN(C)[C@H]2c2cncn2C)CCOCC1 583616591 PPECOHPLONETON-DOTOQJQBSA-N 336.480 1.588 0 40 EDAB Cc1c[nH]nc1C(=O)NCC[C@H]1CCN(c2ncnc3[nH]cnc23)C1 1102331114 QGJCWCFITGEHFZ-NSHDSACASA-N 340.391 1.031 0 40 EDAB O=S(=O)(NC1CCN(c2ncnc3ccsc23)CC1)C1CC1 1888875581 IKIDISCHXZOERT-UHFFFAOYSA-N 338.458 1.742 0 40 EDAB CN(Cc1ccc(Br)o1)S(=O)(=O)N1CCOCC1 32923825 LLKBEHZKOXGYIJ-UHFFFAOYSA-N 339.211 1.051 0 40 EDAB O=C1CC(C(=O)N2CC[C@@H]3C[C@@]32C(=O)Nc2cccc(F)c2)=CC=N1 2056224336 YNMOCLLQQDLPAZ-XIKOKIGWSA-N 341.342 1.683 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)C1(F)CCC1)C2 1614947451 LXAPYLZUDIXBLS-GOSISDBHSA-N 345.418 1.828 0 40 EDAB O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)C(=O)NC1CCCC1 4850567 RYRMNKNQYJGYFE-UHFFFAOYSA-N 327.384 1.519 0 40 EDAB O=C(COc1ccc(F)cc1)NCc1nnnn1-c1ccc(F)cc1 9571038 AVJXWWROKKVMAE-UHFFFAOYSA-N 345.309 1.636 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c(OC)c1 9572788 KGEXXAMBXDLHAM-UHFFFAOYSA-N 348.380 1.999 0 40 EDAB CCc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)NC3CCC3)C2)cn1 2055745666 SBFXLVOBOFDKQV-BRWVUGGUSA-N 343.427 1.542 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 2055772915 VLHIHUQRQAETTQ-ARFHVFGLSA-N 347.415 1.449 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 31562171 BGDHWOYNNGHZOQ-UHFFFAOYSA-N 348.428 1.687 0 40 EDAB O=S(=O)(NCCn1cc(-c2cccnc2)cn1)c1ccccc1 585148349 COUFAMMOMXVHRO-UHFFFAOYSA-N 328.397 1.924 0 40 EDAB Cc1cc(N2CCN(Cc3cnn(C)c3)[C@H](C)C2)n2nccc2n1 2298048814 PGWPTCYGSQZHNI-CQSZACIVSA-N 325.420 1.482 0 40 EDAB COc1ccc(CNC(=O)c2c(O)nc3cc(C)ccn3c2=O)cc1 8604404 DXFDVBFZAYBIHI-UHFFFAOYSA-N 339.351 1.647 0 40 EDAB CSCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1Cl 75157621 MRKCSDHLPTYSTR-CQSZACIVSA-N 330.837 1.899 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CN2CC(=O)Nc3ccccc32)c1 6623540 AYXGEEJPSUTADY-UHFFFAOYSA-N 345.424 1.896 0 40 EDAB CCCNC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)[C@@H](C)CC 35877008 OFWOJJAXANOARW-RRQGHBQHSA-N 331.460 1.758 0 40 EDAB Cc1ccc([C@H](CNC(=O)c2cc(C3CC3)[nH]n2)N2CCOCC2)o1 40497889 KNKYUASRANWICM-INIZCTEOSA-N 344.415 1.992 0 40 EDAB CC(C)C[C@@H](C(=O)N1CCN(C)CC1)N1Cc2ccccc2C1=O 20366785 UPVFUEDFZBAIHA-KRWDZBQOSA-N 329.444 1.831 0 40 EDAB O=c1n(Cc2noc(-c3ccsc3)n2)nnn1-c1ccccc1 31765491 JKHZMBIONYHXHQ-UHFFFAOYSA-N 326.341 1.589 0 40 EDAB CCOC(=O)c1c[nH]n(CC(=O)Nc2cccc3c2CCCC3)c1=N 100993045 RACQQBZPVAWACC-UHFFFAOYSA-N 342.399 1.990 0 40 EDAB Cc1cc(N2CCO[C@H](CN(C)C)C2)n2nc(C(F)(F)F)nc2n1 69665359 SAANPDZJXIIQEK-SNVBAGLBSA-N 344.341 1.218 0 40 EDAB NS(=O)(=O)CCCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 76019482 OLOBBXMBXFKKMF-IUCAKERBSA-N 334.800 1.377 0 40 EDAB C[C@H](CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O)N1CCOCC1 29962059 VICYEVQTDLZSLB-GDBMZVCRSA-N 345.443 1.415 0 40 EDAB CCCCN1C(=O)C(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 1573114 UXIDGUORVHLABQ-UHFFFAOYSA-N 334.372 1.837 0 40 EDAB CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)cc1 78398350 IUANRHXYQJQLRC-TZMCWYRMSA-N 326.418 1.125 0 40 EDAB O=C(Cn1cnc2ncccc2c1=O)Nc1ccnn1C1CCCC1 78392684 VMIDYBNGRZKYIQ-UHFFFAOYSA-N 338.371 1.742 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)Nc2cnn(-c3ccncc3)c2)cc1 78737092 DCRXETLFYNWRMI-UHFFFAOYSA-N 344.352 1.766 0 40 EDAB CC(C)c1cc(NC(=O)[C@@H]2CC(=O)N(C)C2)n(-c2ncccn2)n1 78717280 PAMMWWFLUVIMFT-LLVKDONJSA-N 328.376 1.203 0 40 EDAB O=C(Nc1ccc(F)cc1OCC1CC1)N1CCN(CCO)CC1 79073178 LJXCNWMUJKDGGC-UHFFFAOYSA-N 337.395 1.756 0 40 EDAB O=C(NC1CCC2(CC1)OCCO2)N[C@@H](CO)Cc1ccccc1 79144945 PGQFYOCWRCFCCC-MRXNPFEDSA-N 334.416 1.575 0 40 EDAB O=C(Nc1ccc(F)c(F)c1F)C(=O)NC1CCN(C2CC2)CC1 41240709 QIEXDVYXVFNBGJ-UHFFFAOYSA-N 341.333 1.785 0 40 EDAB COc1cc(I)c(CCNC(C)=O)cc1OC 478125 CEJAVVKKFBTVPF-UHFFFAOYSA-N 349.168 1.987 0 40 EDAB NC(=O)Cc1ccc(NS(=O)(=O)N2CCc3ccccc3C2)cc1 69769660 NBOHBDVDSNDQPG-UHFFFAOYSA-N 345.424 1.429 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)n1 61158629 XYLXEWWMZJUEEM-KRWDZBQOSA-N 340.427 1.947 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)NC[C@@H]1CN(C)CCO1 69779921 JOTAQEMKDINKEZ-RRFJBIMHSA-N 335.448 1.181 0 40 EDAB COCCN(CC(=O)OC)C(=O)c1cnn(-c2ccc(F)cc2)c1C 69739970 WRJILAVGTKLWBO-UHFFFAOYSA-N 349.362 1.581 0 40 EDAB COC(=O)CC12C3[C@@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 100716958 KVZLCQLDCJROEQ-OIARIFTASA-N 327.174 1.178 0 40 EDAB CN(C)CCOc1cc(C(=O)N2CC[C@H]3[C@H](CCCN3C)C2)ccn1 97080790 RALCXPZSEAUFMJ-SJORKVTESA-N 346.475 1.578 0 40 EDAB O=C(NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)c1ccc[nH]1 107215527 GOSDOCAHNROMTJ-ZDUSSCGKSA-N 341.346 1.741 0 40 EDAB O=C(COc1ccc(C(F)(F)F)cc1)NCc1nnc2n1CCC2 47350525 JDAMYRZGMQOUKE-UHFFFAOYSA-N 340.305 1.938 0 40 EDAB C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)NC1CCCCC1 22519766 PFIDIELFKTYDLK-LBPRGKRZSA-N 343.387 1.657 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cnc(C3CCC3)s2)C1 97051768 ZOBRTYHQARIHCM-ZDUSSCGKSA-N 329.491 1.924 0 40 EDAB COc1ncccc1CNC(=O)c1ccc(N2CCOC2=O)cc1 43014544 ZMPUXKLYQMFLQA-UHFFFAOYSA-N 327.340 1.977 0 40 EDAB CC(C)CN1C[C@@H](C(=O)N2CCC(Cc3nncn3C)CC2)CC1=O 55371192 OOTZVZXJTKVIPJ-HNNXBMFYSA-N 347.463 1.101 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc2c([nH]c1=O)CCCC2=O 24992944 DSBDSPKVGIGQKF-AWEZNQCLSA-N 340.383 1.435 0 40 EDAB C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)N(c3ccc(F)cc3)C2=O)[C@H](C)CO1 106862883 SVGJADSKQKFDHM-GYSYKLTISA-N 349.362 1.276 0 40 EDAB COCC(=O)N1CCC2(CC1)CC(=O)N(Cc1csc(C)n1)C2 108531305 PFUYCAOHGNROET-UHFFFAOYSA-N 337.445 1.439 0 40 EDAB O=C1C[C@@H]2OCC=C3CN4C(=O)C[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]46 101856248 XFSGWRONALENOC-SLIHXOMRSA-N 348.402 1.619 0 40 EDAB O=C(NCCn1ccnc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 43947073 TTWRVKDUQXZWHS-GFCCVEGCSA-N 332.791 1.706 0 40 EDAB Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)NC(=O)[C@@H]23)cc1 102264082 MIEJUNNYFIZEEM-KXUCPTDWSA-N 332.406 1.624 0 40 EDAB Cc1ccc2c(CC(=O)NCC3(C(N)=O)CCOCC3)coc2c1 57009110 JWXUXQTURVPMGK-UHFFFAOYSA-N 330.384 1.682 0 40 EDAB COc1ccccc1N1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1 44268767 QONZQPNWWHIYLH-AWEZNQCLSA-N 331.416 1.212 0 40 EDAB COc1ccc(C(=O)CNC(=O)CCC(=O)NCc2ccco2)cc1 58023044 KDOPXPLKCBYJFU-UHFFFAOYSA-N 344.367 1.684 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)NCc1ccccc1 58157597 SZMKKNSLLWJEDG-UHFFFAOYSA-N 325.372 1.386 0 40 EDAB Cc1ccnc(SCc2cc(=O)n3nc(C(F)(F)F)nc3[nH]2)n1 101298747 WMZIHLXXRJNBHY-UHFFFAOYSA-N 342.306 1.827 0 40 EDAB Cn1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cn1 12608499 CKEPLAIHVXMLQZ-UHFFFAOYSA-N 327.388 1.762 0 40 EDAB C[C@@H](CNC(=O)CN1CCC(O)CC1)c1nc2ccccc2s1 58214329 FHVDUCCDGOGXTI-LBPRGKRZSA-N 333.457 1.973 0 40 EDAB CSc1cccc(NC(=O)COc2c(C)n(CCO)ccc2=O)c1 44901670 VJMOWZPDDFGEJP-UHFFFAOYSA-N 348.424 1.888 0 40 EDAB CC[C@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CCO1 44948832 LZIDBKPPWLXYJT-ZDUSSCGKSA-N 328.434 1.675 0 40 EDAB CC(C)(CNC(=O)c1cc(-c2cccnc2)on1)N1CCOCC1 44936580 KSOWHLFTZLPQIN-UHFFFAOYSA-N 330.388 1.577 0 40 EDAB NC(=O)c1ccsc1NC(=O)COC(=O)Cc1cccc(F)c1 3363222 HVKRFLGDRLKYQE-UHFFFAOYSA-N 336.344 1.711 0 40 EDAB Cn1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)Nc3ccn(C)n3)C2)n1 58308642 VVLHFBZOLZHLHB-VXGBXAGGSA-N 330.392 1.537 0 40 EDAB CONC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 58357581 KVYGZCACQGQAEQ-UHFFFAOYSA-N 342.417 1.551 0 40 EDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)nn(CC)c2C)C1 36614775 AGEWHKITFSLCPF-ZDUSSCGKSA-N 343.449 1.484 0 40 EDAB Cc1ccc(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)n1C 3447830 CCCUCFFNMWDEOF-UHFFFAOYSA-N 341.820 1.564 0 40 EDAB O=C(COC(=O)c1ccc2c(c1)OCO2)NC(=O)NCc1ccco1 3436885 WGSJUWAUZTZCSW-UHFFFAOYSA-N 346.295 1.191 0 40 EDAB Cc1cc(NC(=O)N2CCN(C)C[C@@H]2C)ccc1N1C(=O)CCC1=O 69978161 GNCSFIYTONIXTP-ZDUSSCGKSA-N 344.415 1.816 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)N(C)c3nccs3)C2)n1 69818204 QYWAHHRWFQJXSS-AWEZNQCLSA-N 348.476 1.726 0 40 EDAB NC(=O)c1ccc(NC(=O)CSc2nnc3ccccn23)cc1 3505717 HPDGBJQMFKWDRG-UHFFFAOYSA-N 327.369 1.559 0 40 EDAB Cc1nc2n(n1)C[C@H](NCc1ccccc1OCC(=O)N(C)C)CC2 69899459 KZFVMXUNYMSROX-OAHLLOKOSA-N 343.431 1.158 0 40 EDAB CN(C)C(=O)CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 8749692 GYLLFRDMCHGMCZ-UHFFFAOYSA-N 326.400 1.910 0 40 EDAB Cn1c(=O)c2cc(NC(=O)CCc3ccccc3)cnc2n(C)c1=O 8728718 GRRXIECTWCXUDZ-UHFFFAOYSA-N 338.367 1.204 0 40 EDAB CN(CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)C1CC1 63117069 OXJQPPKALFFEEA-LLVKDONJSA-N 337.370 1.528 0 40 EDAB COCCCN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 4045407 WDHRFIIQBOQYHB-LJQANCHMSA-N 341.411 1.647 0 40 EDAB biogenic CCN1CC[C@@H](CNC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)C1 65423851 UGYOAOHMAQHSDH-STQMWFEESA-N 330.432 1.883 0 40 EDAB CCc1ncc(C(=O)NCCNC(=O)Cc2cccc(F)c2)s1 65568860 HKPKVQFGTUTBDF-UHFFFAOYSA-N 335.404 1.933 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 6938279 DPYXORASKOEEID-QGZVFWFLSA-N 343.427 1.034 0 40 EDAB Cc1ccc2oc(C(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)cc2n1 72269364 FMFVXRGWXHZKJL-HUUCEWRRSA-N 329.400 1.807 0 40 EDAB NC[C@@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218629214 MOKXKSTYTPKBHM-HLLBOEOZSA-N 349.383 1.795 0 40 EDAB O=C1CCCN1CCCNc1ccc2nnc(C(F)(F)F)n2n1 15544699 XCMIQSAMTDVJIU-UHFFFAOYSA-N 328.298 1.568 0 40 EDAB O=C(OCc1ccccc1)[C@@H]1CCCN1CCC(=O)N1CCOCC1 68857541 MCCCFXFZSAHSRL-KRWDZBQOSA-N 346.427 1.443 0 40 EDAB O=C(CCn1cncn1)Nc1ccc(CN2CCOCC2)c(Cl)c1 97107885 DRZOZIASOTXRRE-UHFFFAOYSA-N 349.822 1.793 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@H](n3cccn3)C2)C1=O 69370442 QYYPJLQWKHFTHC-ZDUSSCGKSA-N 347.419 1.157 0 40 EDAB COCC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 69420868 FOSMANZTLDAWKF-AWEZNQCLSA-N 340.445 1.158 0 40 EDAB NC(=O)C[C@H]1CCCCN1C(=O)c1ccc(OCC(F)(F)F)nc1 69453135 UWFQSUOBUPUWFT-LLVKDONJSA-N 345.321 1.893 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)c3sccc3-n3cnnn3)ccc21 69566563 KJKLCEDYBCNVRZ-UHFFFAOYSA-N 342.340 1.421 0 40 EDAB COC(=O)c1cc(C(=O)N2CCOC(C)(C)C2)n(-c2ccccc2)n1 69571710 QUYFOQQSDMWAPR-UHFFFAOYSA-N 343.383 1.910 0 40 EDAB O=C(CCN1C(=O)CCC1=O)NCCc1nc2c(s1)CCCC2 69596271 VBMCIFHNHNYSAD-UHFFFAOYSA-N 335.429 1.220 0 40 EDAB O=C(NC1CCC(C(=O)N2CCSCC2)CC1)c1ccncc1 69570699 OMRZFQZYPOFBEV-UHFFFAOYSA-N 333.457 1.946 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccsc2)C1=O)c1ccco1 69568938 LXNUKXMSYSQYOC-HWPZZCPQSA-N 347.396 1.986 0 40 EDAB Cc1csc(=O)n1CC(=O)N1CCN(Cc2ccccc2)CC1 17357897 DHBNALWEYLNSSQ-UHFFFAOYSA-N 331.441 1.563 0 40 EDAB CCN(CC)CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 72305052 NLVQRNIZWLCTEG-UHFFFAOYSA-N 330.432 1.835 0 40 EDAB Cc1cc(C(=O)N2CCN(Cn3ccc(C(F)(F)F)n3)CC2)on1 71840979 KKJQVLZPLYSDNA-UHFFFAOYSA-N 343.309 1.614 0 40 EDAB NC(=O)Cc1ccc(OCC(=O)NCC2(c3ccccc3)CC2)cc1 71831112 WYLADLTVAGUWBO-UHFFFAOYSA-N 338.407 1.941 0 40 EDAB Cc1ccc([C@H]2C[C@H]2C(=O)N2CCCN(CC(N)=O)CC2)cc1C 71837364 HOJIFOODSGJAPQ-IAGOWNOFSA-N 329.444 1.427 0 40 EDAB Cc1nc(CN2CCC[C@H](NCc3nnc(C4CC4)n3C)C2)no1 71870623 ASOOFQWBVQXSSM-ZDUSSCGKSA-N 331.424 1.138 0 40 EDAB Cc1nc(CC(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)cs1 71839618 AIJCRJYCHLCVRH-UHFFFAOYSA-N 349.460 1.845 0 40 EDAB O=C(c1n[nH]c(O)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 71819826 MRTPQJAMOWJWAT-LLVKDONJSA-N 330.344 1.649 0 40 EDAB O=C(NC1(C(=O)O)CCCCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 71802825 MQFMOFUHEOKQOA-HNNXBMFYSA-N 344.411 1.939 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NC[C@@H]2CC=CCC2)CC1 83888659 LYWCLCBTMIRJIR-IAGOWNOFSA-N 348.491 1.681 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)c3ccc([S@@](C)=O)cc3)CCO2)n1 83829998 QPVCSWHETIKNFD-OZAJXLCCSA-N 348.428 1.318 0 40 EDAB C[C@H](NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCCO1 71916689 OTFDUQYIXNUKJD-JQHSSLGASA-N 332.444 1.961 0 40 EDAB COC(=O)C1(NC(=O)[C@H](C)S(=O)(=O)C(C)C)CCC(C)CC1 71903481 BYVDFEMMGXFLML-AVERBVTBSA-N 333.450 1.436 0 40 EDAB CC(=O)N1CCC[C@H](S(=O)(=O)N[C@H](C)c2ccc(F)c(F)c2)C1 71911201 GJLWSTHXERJPON-MFKMUULPSA-N 346.399 1.956 0 40 EDAB CN(C)[C@H](CNC(=O)CCn1ccccc1=O)c1c(F)cccc1F 71908871 LYHOYOJXGSBZGT-OAHLLOKOSA-N 349.381 1.936 0 40 EDAB COc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c(OC)c1 9726124 ZZJSLRBPIYXFBV-UHFFFAOYSA-N 331.372 1.975 0 40 EDAB C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)CNC(=O)c1ccccn1 95399713 CSDUYVAAFLVOAG-CQSZACIVSA-N 340.427 1.625 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCO[C@H](CN(C)c2cccnn2)C1 84667643 UQYQUTZGXWRRQY-TZMCWYRMSA-N 344.419 1.635 0 40 EDAB Cc1ccc(NS(=O)(=O)CCNCC2=CCCOC2)cc1F 95428176 OWBPRIZZVVTCPY-UHFFFAOYSA-N 328.409 1.812 0 40 EDAB Cc1cccc(CS(=O)(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1 95457692 ZMACVTDBDZVUEI-CVEARBPZSA-N 325.430 1.753 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)c2cn(Cc3cccnc3)nn2)C12CCC2 95403598 ZGJYSHHWJOPIMU-HZPDHXFCSA-N 341.415 1.799 0 40 EDAB CN(C[C@H]1CCCO1)C(=O)CCN1CCN(c2ccccc2)CC1 73271972 SFHOCMVBEDMDNK-GOSISDBHSA-N 331.460 1.836 0 40 EDAB C[C@H](NCC(=O)N[C@@H]1CCCCNC1=O)c1ccc(F)c(Cl)c1 95984577 MKGBDZPFHWQFDI-IINYFYTJSA-N 341.814 1.915 0 40 EDAB CCc1n[nH]c([C@@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)n1 89289818 XTIXHTBRLVWXPA-HNNXBMFYSA-N 341.415 1.330 0 40 EDAB C[C@@H](O)CN1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 75132641 KYCHHXLIFFECSZ-DOMZBBRYSA-N 332.366 1.737 0 40 EDAB CC[C@@H]1CN(C(=O)NCc2ccc(Cn3cncn3)cc2)CCO1 89949253 VXVYOCIKWWKJAL-MRXNPFEDSA-N 329.404 1.647 0 40 EDAB COc1ccc(F)cc1[C@@H](C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 89904577 DENYUKYMYRTASV-ZYHUDNBSSA-N 344.408 1.724 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)NCCc1ccc(C(=O)O)cc1 75572504 AHJIDXMEWCLVKH-UHFFFAOYSA-N 341.289 1.959 0 40 EDAB Cc1nn(Cn2ccc(C(=O)NC[C@H]3CCCO3)n2)c(C)c1Cl 28576100 OITYITBWTBPYTF-GFCCVEGCSA-N 337.811 1.764 0 40 EDAB CC(C)CC(=O)N1CC2(C1)OCC[C@@H]2COCC(=O)N1CCCC1 306140140 ULLSNKSMLGHQKB-OAHLLOKOSA-N 338.448 1.289 0 40 EDAB NC(=O)c1cc(NC(=O)[C@@H]2CCCN2Cc2ccccn2)ccc1F 72899122 NRHJKOVNMSXOAH-INIZCTEOSA-N 342.374 1.923 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)N2CCCc3c(F)cccc32)CC1 531365792 UAKPTCXFMGNHRB-UHFFFAOYSA-N 340.420 1.777 0 40 EDAB CCCN(C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 79317230 VPNQDAKBEGSDRJ-UHFFFAOYSA-N 342.465 1.877 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)c1ccc(Cl)cc1-n1cnnn1 72402369 WIJLTERPGXQBPR-UHFFFAOYSA-N 345.794 1.596 0 40 EDAB NC(=O)COc1coc(CN2CCO[C@H](c3ccccc3)C2)cc1=O 79498885 MJDKUAONUFMSNK-INIZCTEOSA-N 344.367 1.077 0 40 EDAB CCc1ccccc1CC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 188585140 JJYDZICCJIQDTL-HNNXBMFYSA-N 347.440 1.986 0 40 EDAB Cc1cc(NC(=O)c2nc3ncccn3n2)nn1Cc1ccccc1 36618724 NWIMPDORGJOFJM-UHFFFAOYSA-N 333.355 1.930 0 40 EDAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(O)nn1 32843000 ZLRBKNOIYNODNX-UHFFFAOYSA-N 338.249 1.174 0 40 EDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C 74935850 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0 40 EDAB O=C(Cc1cccc2c1CCNC2)NCc1nc(O)c2ccccc2n1 1580574376 MTGRYRJNWMTJOT-UHFFFAOYSA-N 348.406 1.840 0 40 EDAB CCN(CC(=O)NCCCOC)S(=O)(=O)c1cc(C)ccc1C 225932747 IPRBYNBMOVIVAM-UHFFFAOYSA-N 342.461 1.467 0 40 EDAB CCS[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 95869920 BSQTXTAGEJNXTK-WBFOWJMUSA-N 334.390 1.279 0 40 EDAB C[C@@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1CC1CC1 96109816 DCTWPBOQBRCUAU-CQSZACIVSA-N 332.448 1.809 0 40 EDAB CN(C)[C@@H]1CCC[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 97096628 BGEIZCRAYBUZFH-FUHWJXTLSA-N 345.491 1.782 0 40 EDAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 96181931 NVURPFUQLWDKNI-SJLPKXTDSA-N 347.434 1.899 0 40 EDAB CC(C)O[C@]1(C(=O)N2CCN3CCOc4cccc2c43)CCOC1 333898110 SBCGPJFTOTVONI-GOSISDBHSA-N 332.400 1.816 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)CCO1 96428108 FAVPNTDPOSZIOD-UMVBOHGHSA-N 342.436 1.969 0 40 EDAB C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 230462989 KLROGDDOQRJUEU-IAOVAPTHSA-N 344.455 1.914 0 40 EDAB C[C@@H]1CCCN(C(=O)CN[C@](C)(C(N)=O)c2cccc(Cl)c2)C1 95432244 JLSBFWNLUHXLAI-PXAZEXFGSA-N 337.851 1.889 0 40 EDAB O=C(c1ccncc1F)N1CC[C@@H](Nc2ccc3nccn3n2)C1 583300578 CMLWKMFITHDENZ-LLVKDONJSA-N 326.335 1.590 0 40 EDAB CN(c1ncccn1)[C@@H]1CO[C@]2(CCN(C(=O)c3cccn3C)C2)C1 96219814 PPWZSWMCJIDPDY-KBXCAEBGSA-N 341.415 1.325 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@@H](N4CCCC4=O)CCO3)C2)o1 96216888 RKEUMYKPFJJLNF-KBXCAEBGSA-N 332.400 1.974 0 40 EDAB C[C@@H]1CN(C(=O)NCCOc2ccc(F)cc2F)CC[S@](=O)C1 580937363 MIKRMINAVRWETR-BGJPBQGDSA-N 346.399 1.754 0 40 EDAB Cc1ccc(CN2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)o1 248098478 NDIOYJPHGVTXAW-CYBMUJFWSA-N 328.434 1.118 0 40 EDAB Cc1noc([C@@H]2CCN(C(=O)c3ccc(-n4cncn4)cc3C)C2)n1 583620534 QQRMKWDJPPOTTF-CYBMUJFWSA-N 338.371 1.897 0 40 EDAB CNc1ncccc1CN1CCCC[C@H]1c1[nH]ncc1S(C)(=O)=O 257236276 HBLFTGITRGFELK-ZDUSSCGKSA-N 349.460 1.977 0 40 EDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)Cc2ccco2)C3)n1 253601610 UVDKRZLBFOYWFW-OAHLLOKOSA-N 343.383 1.760 0 40 EDAB COCC(=O)N1CCC[C@H](Cc2cncc(-c3cnc(C)n3C)n2)C1 257293648 QQNXXIJHJDJTNB-CQSZACIVSA-N 343.431 1.613 0 40 EDAB CC(=O)N1CCC(CCNC(=O)c2cc(C)nc3ccnn23)CC1 257248913 JFUADLNQNRPRSY-UHFFFAOYSA-N 329.404 1.416 0 40 EDAB CNc1cnc(C[C@@H]2CCCN(C(=O)c3ccnnc3)CC2)cn1 257338981 YZRXALNHOHHDCX-CYBMUJFWSA-N 326.404 1.793 0 40 EDAB CO[C@H](CS(=O)(=O)N[C@@H](C)Cc1c(C)noc1C)C1CCC1 585115714 PRMJICFRASGTKV-ZUZCIYMTSA-N 330.450 1.957 0 40 EDAB COc1cc(NC(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)ncn1 585140384 CPXGFGRENDPRPV-ZDUSSCGKSA-N 333.392 1.254 0 40 EDAB C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1C(=O)CCS(C)(=O)=O 585125607 YLLPAHRTKVTBLK-VXGBXAGGSA-N 333.450 1.532 0 40 EDAB O=C(C1CCNCC1)N1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 257217238 CYEHVGTUFDDJRS-IRXDYDNUSA-N 336.407 1.556 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)on1 257271445 MYJHQBFGBFAXQQ-OAHLLOKOSA-N 346.387 1.623 0 40 EDAB O=C(CCn1ccnc1)N1CCCC[C@@H]1c1cc(O)n2nccc2n1 257278120 OAWWDBCVWSMYGQ-CQSZACIVSA-N 340.387 1.775 0 40 EDAB CN(CCC(=O)N1CCO[C@H](c2cnccn2)C1)Cc1ccccn1 257306913 SWOFOQDTJRMMBD-KRWDZBQOSA-N 341.415 1.294 0 40 EDAB Cc1cc(C)n(CCOC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 42776730 FKHHDFKESZRAGK-UHFFFAOYSA-N 336.413 1.902 0 40 EDAB CNC(=O)[C@]1(CCCc2cnccn2)CCCN(c2ncccn2)C1 257220815 DMGQPSFAIQMCCD-GOSISDBHSA-N 340.431 1.622 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)N3CC[C@H]4[C@@H]3CCCN4C)cc12 1615572404 SQTJUPXKMMGLHJ-GJZGRUSLSA-N 328.420 1.977 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)Nc1cc2n(n1)CCN(C)C2=O 1615552069 RDRNQZRBDMVDLM-UHFFFAOYSA-N 338.364 1.217 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](CCC(=O)O)C(=O)O)cc1F 1616035771 GICFOESOMIWMSU-MWLCHTKSSA-N 347.364 1.367 0 40 EDAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)cc1 96377796 UTXXFRHNOCANFF-UHFFFAOYSA-N 331.393 1.994 0 40 EDAB CNC(=O)c1ccn([C@@H]2CCCN(c3ncccc3C(=O)O)C2)n1 647453526 KLHMRLJGEOKFES-LLVKDONJSA-N 329.360 1.177 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)OCc1ccccn1 390829750 GHRWVFOBEAJFPH-GFCCVEGCSA-N 339.359 1.024 0 40 EDAB CNC(=O)C1=NO[C@]2(CCCN(Cc3ncc(C(F)(F)F)[nH]3)C2)C1 585101196 NARRKTBMGMNVMQ-CYBMUJFWSA-N 345.325 1.285 0 40 EDAB Cc1cncc(C(=O)N2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)n1 585278857 HTZOVWYEJJGLGS-PBHICJAKSA-N 329.375 1.990 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)Nc1nnc(C3CC3)n1C)C2 585113355 SKIIEYVYDORJLC-GFCCVEGCSA-N 328.372 1.891 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)o1 69811168 CDJLDSLRJPUUCH-UHFFFAOYSA-N 349.324 1.917 0 40 EDAB CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 95993565 WMEBPZRTZDNLTE-ILXRZTDVSA-N 339.480 1.824 0 40 EDAB O=C(c1ccc(Cl)c(NCc2n[nH]c(=O)[nH]2)c1)N1CCCCC1 97053172 VZJLORPKCKOARW-UHFFFAOYSA-N 335.795 1.990 0 40 EDAB CO[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)cc2)C[C@H]1CC(N)=O 1615142388 IZCXXLDAHYPXHK-NVXWUHKLSA-N 345.443 1.639 0 40 EDAB CCc1cc(Br)ccc1S(=O)(=O)N1CCNCC1 15043038 GYKIAFWFBYQDJB-UHFFFAOYSA-N 333.251 1.605 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@@H](c1ccccc1F)NC(=O)N2 11665673 BPWPPNTYPMEMAP-OAHLLOKOSA-N 333.363 1.703 0 40 EDAB O=C1N[C@]2(CC[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]32)Nc2ccccc21 12086063 DHIRIWZYZMOVDV-UHYGZKCKSA-N 349.394 1.510 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)CN1CCCC1=O 12154938 GBEYGRHXEWUJSQ-OCCSQVGLSA-N 339.399 1.248 0 40 EDAB CCc1nn2c(O)cc([C@H]3CCN(C(=O)c4cc[nH]n4)C3)nc2c1C 12221270 ZDMQKURUDXPJNT-NSHDSACASA-N 340.387 1.659 0 40 EDAB Cc1ncc(-c2ccccn2)c(CN(C)S(=O)(=O)N2CCCC2)n1 12337685 FMOSXTGOEZWGCS-UHFFFAOYSA-N 347.444 1.619 0 40 EDAB COc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2cccnc2)cc1 15935364 ZIZIWQWVXLSWTR-XMMPIXPASA-N 347.396 1.416 0 40 EDAB CC1CCN(c2nc([C@@H](C)NC(=O)c3cnccn3)cc(=O)[nH]2)CC1 19497023 OUBLDEYJCBHTJV-GFCCVEGCSA-N 342.403 1.287 0 40 EDAB CC(C)c1nn(C)cc1C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 519539080 STESFGZFNUCPCP-LBPRGKRZSA-N 347.440 1.844 0 40 EDAB CCn1c(=O)n(C[C@H]2CCCO2)c(=O)c2c3cccnc3sc21 1888930478 SUNHDNZUBVCPBG-SNVBAGLBSA-N 331.397 1.972 0 40 EDAB O=C(NCC1CCC1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 31441649 GTVRTXRSRNOTPE-AWEZNQCLSA-N 342.395 1.992 0 40 EDAB Cc1ccsc1CCC(=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1775986098 VDUQKIOLBYXRKY-UHFFFAOYSA-N 348.403 1.794 0 40 EDAB COc1ccc(OC)c(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)c1 2037983938 LKRLHRFBDRHETO-BBRMVZONSA-N 334.416 1.383 0 40 EDAB CN1C[C@@]2(COCC1=O)CN(Cc1c(F)cccc1F)CCO2 2037984155 RXBRNQFYWOKZCG-INIZCTEOSA-N 326.343 1.024 0 40 EDAB CCN1C(=O)c2cccnc2C12CCN(C(=O)[C@@H]1CCOC1)CC2 1614934504 MZFFDCINPHVCNB-CYBMUJFWSA-N 329.400 1.412 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@@H]2NC(=O)CC1(OC)CCC1 1565556306 BXCFLOWYUIXNRN-ZDUSSCGKSA-N 333.432 1.838 0 40 EDAB CCc1ccc(C(=O)N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)cn1 1565555363 YNXRCRDLDMEEND-UHFFFAOYSA-N 349.456 1.284 0 40 EDAB COCC(=O)NCCn1ncc2c(NC(C)C)nc(SC)nc21 8941215 GQZKUQKWZJJGPU-UHFFFAOYSA-N 338.437 1.131 0 40 EDAB CCCc1nnsc1C(=O)N1CC[C@H](Oc2ccc(C)nn2)C1 225425790 XSYPCBJVOOCPMX-NSHDSACASA-N 333.417 1.883 0 40 EDAB C[C@@H]1CN(c2nccc(C(F)(F)F)n2)CCN1Cc1cnn(C)c1 2298028486 ICKNEZWJMIBJKL-LLVKDONJSA-N 340.353 1.940 0 40 EDAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)NC(C)(C)C)c1C 50515984 ZHWRVFYQDDDITN-UHFFFAOYSA-N 344.481 1.445 0 40 EDAB CS(=O)(=O)Nc1nc(CC(=O)NCc2ccccc2)cs1 40487909 TUPBOMQMGJXLCI-UHFFFAOYSA-N 325.415 1.374 0 40 EDAB CN(C)c1ncccc1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 40553781 FBYRJIVDALHYOQ-CYBMUJFWSA-N 326.404 1.336 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ncc(C(C)(C)C)o2)c1 40508897 KSEIPQUWVNQFMW-UHFFFAOYSA-N 339.417 1.432 0 40 EDAB O=c1[nH]c(=O)n(Cc2ccco2)c2c1CN(C1CCCCC1)CN2 20567620 BLCMAARLSZONGP-UHFFFAOYSA-N 330.388 1.696 0 40 EDAB COc1ccccc1CCNc1c(NCCCN(C)C)c(=O)c1=O 101685260 UVHWUGICQOVXDE-UHFFFAOYSA-N 331.416 1.309 0 40 EDAB COc1ccccc1CCNc1c(NCc2ccncc2)c(=O)c1=O 101701141 GCDATZTVJLCAKL-UHFFFAOYSA-N 337.379 1.953 0 40 EDAB C[C@@H]1C(=O)[C@H](C(=O)NCc2ccco2)C(=O)N1Cc1ccccc1 101817962 FWPSHNCHHMJDCI-IUODEOHRSA-N 326.352 1.512 0 40 EDAB c1csc([C@H](CNc2ncnc3[nH]cnc23)N2CCOCC2)c1 41025921 QWBDWICWUSPNST-NSHDSACASA-N 330.417 1.900 0 40 EDAB C[C@@H](C(=O)NC1CCCCC1)N1CCC(CN2CCOCC2)CC1 69030370 LEAWHFVPHUULNG-INIZCTEOSA-N 337.508 1.868 0 40 EDAB COc1ccccc1/C=C/C(=O)Nc1ccc(S(N)(=O)=O)cc1 149687 YYHXEKOLXRSGSD-IZZDOVSWSA-N 332.381 1.995 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCCc2ccc(-n3cccn3)cc2)C1 32924686 JJBBGXQVFHQRDB-HNNXBMFYSA-N 341.415 1.322 0 40 EDAB CCN(CC(=O)Nc1c(F)cccc1F)Cc1nnnn1C1CC1 52798678 OFZUMQUSNSPLLM-UHFFFAOYSA-N 336.346 1.747 0 40 EDAB CCN(C(=O)[C@@H](C)Nc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 52771954 ZRLGLYYCZRQNFL-TZMCWYRMSA-N 340.445 1.531 0 40 EDAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 7248571 SDBARYWNAQZTCE-CQSZACIVSA-N 345.486 1.891 0 40 EDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2ccc(F)cc2)CC1 102837779 PNYHXGUZFWPSPY-CALCHBBNSA-N 343.402 1.856 0 40 EDAB CC(C)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 7804118 SWZKKCKCAOSGKT-CYBMUJFWSA-N 340.445 1.482 0 40 EDAB C[C@H](CNC(=O)c1cnc2n(c1=O)CCS2)N(C)c1ccccc1 46951084 FBKZMFPNIFCNJQ-GFCCVEGCSA-N 344.440 1.604 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 103024129 FCJZDLICXXILDS-NUZBWSBOSA-N 339.355 1.339 0 40 EDAB CCN(CC)[C@H](C)CNC(=O)c1ccc(Cn2ccccc2=O)o1 41924837 MOAAHTYIKPDOFF-CQSZACIVSA-N 331.416 1.950 0 40 EDAB CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cnc2c(c1)nnn2C 97080090 MKCZISHBZVZESP-UHFFFAOYSA-N 349.398 1.944 0 40 EDAB CC(C)[C@@H](CNC(=O)CCN1CCSC1=O)N1CCOCC1 42028959 QWYYLPMKPVJTMD-CYBMUJFWSA-N 329.466 1.018 0 40 EDAB C[C@H]1CN(C(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CCO1 42037896 KAKOQRCDURDKRU-LBPRGKRZSA-N 344.408 1.132 0 40 EDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)/C=C\c1ccccc1 100419709 QKTSLJLIJZDHHK-QWGSZXSUSA-N 344.411 1.824 0 40 EDAB CC(C)[C@H](C)NC(=O)CN1CCN(CCOc2ccccc2)CC1 23285978 RCOHKIOWBJUDGB-KRWDZBQOSA-N 333.476 1.844 0 40 EDAB COc1ccc(NC(=O)CCN2CCC[C@H]2C(=O)NC2CC2)cc1 54988875 WBSXNMKTWAIFIB-INIZCTEOSA-N 331.416 1.767 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)c(Cl)c1 106183831 YWCRPUZOUNZDHW-UWVGGRQHSA-N 347.820 1.925 0 40 EDAB COC(=O)c1ccc([C@H]2C=C(C(=O)O)Nc3nc(SC)nn32)cc1 101446996 SUNGOSCPSSIAQW-LLVKDONJSA-N 346.368 1.770 0 40 EDAB O=C(c1ccncn1)N1CCC2(CCCN(CC3CC3)C2=O)CC1 108530034 MILSEUNEODANPE-UHFFFAOYSA-N 328.416 1.731 0 40 EDAB CCOc1ccccc1CNC(=O)CN(C)c1ncnc2[nH]cnc12 56138033 ZWSVLASFZVEYOR-UHFFFAOYSA-N 340.387 1.504 0 40 EDAB Cc1ccnc2nc(C(=O)N3CCN([C@@H]4C[C@H]5CC[C@H]4C5)CC3)nn12 107509500 WTPNKHQGZFVHSL-SOUVJXGZSA-N 340.431 1.379 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNC(=O)C2CCN(c3ncccn3)CC2)C1 44534498 LZPCYTIKNSPNFU-IYBDPMFKSA-N 345.491 1.787 0 40 EDAB CN(C(=O)Cn1cccnc1=O)[C@H](c1ccccc1)c1ccccn1 58202940 LPIAISPCAUKSKQ-GOSISDBHSA-N 334.379 1.886 0 40 EDAB CC(=O)Nc1cccc(CNC(=O)CNC(=O)NCc2ccco2)c1 58250792 RTSXWNWWVQAUHI-UHFFFAOYSA-N 344.371 1.354 0 40 EDAB COC(=O)c1cc(NC(=O)CCn2ccnc2)cc(C(=O)OC)c1 58282306 HYAZTZMGPNNREX-UHFFFAOYSA-N 331.328 1.485 0 40 EDAB COc1ccc(OCCC(=O)OCC(=O)NC(=O)NC(C)C)cc1 3316685 FBOJBBDWXQQJRZ-UHFFFAOYSA-N 338.360 1.242 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H](C)C(=O)NC[C@H]2CCCO2)c(C)c1 44948106 IIAYKWASIKXFTG-ZIAGYGMSSA-N 325.430 1.761 0 40 EDAB Cc1cccc(CNC(=O)Nc2ccc(N3CCOCC3)nc2)n1 44972690 DKFLSADWVYIYIY-UHFFFAOYSA-N 327.388 1.943 0 40 EDAB C[C@@H](NC(=O)CNC(=O)c1cc(-c2ccccc2)on1)[C@@H]1CCCO1 58343414 WECDQBYWYFTLNS-DOMZBBRYSA-N 343.383 1.755 0 40 EDAB NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1ccccc1Cl 58522004 DAWQMJJCBOBZDI-ZDUSSCGKSA-N 345.786 1.935 0 40 EDAB CC(C)(O)CN1CCN(C(=O)C[C@H]2OCCc3sccc32)CC1 69930094 XXUDCBDKWHHUCF-CQSZACIVSA-N 338.473 1.667 0 40 EDAB CCOc1ccccc1-c1noc(CN2CCO[C@@H](CN(C)C)C2)n1 69951365 XQGREOXKFINEPW-AWEZNQCLSA-N 346.431 1.898 0 40 EDAB Cc1csc(N2CCN(CC(=O)N(C)CC(F)(F)F)CC2)n1 69349959 IKQLUOMEWAOHSE-UHFFFAOYSA-N 336.383 1.594 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1)C2 69922937 YEZYWPJRGZMHHI-LSDHHAIUSA-N 326.400 1.995 0 40 EDAB COc1ccccc1CN(CCO)C(=O)c1cnc2[nH]nc(C)c2c1 63779727 SWXRWROIAFQPGZ-UHFFFAOYSA-N 340.383 1.910 0 40 EDAB Cn1ccc(C(=O)N2Cc3ccnn3[C@@H](CCN3CCCCC3)C2)n1 306125355 CNIOPTRZGTZTAA-INIZCTEOSA-N 342.447 1.690 0 40 EDAB Cc1ccc2nc(CN3CCCC[C@H]3C3OCCO3)cc(=O)n2c1 69454423 RDETYNWPVWJVBU-HNNXBMFYSA-N 329.400 1.730 0 40 EDAB O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(-n2ccnc2)nn1 69445365 ABJBKCWZIZKWMC-UHFFFAOYSA-N 335.371 1.910 0 40 EDAB CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](n2nc(C)cc2C)C1 69489689 CTOSRASMDKUIJX-CABCVRRESA-N 336.461 1.585 0 40 EDAB CCn1cc(CN2CCCN(C(=O)Cn3cc(C)cn3)CC2)cn1 69490096 ALZCLFJSIBERKZ-UHFFFAOYSA-N 330.436 1.142 0 40 EDAB CCc1nnc2n1CCN(CC(=O)NCC1(c3ccccc3)CC1)C2 69456720 SEKVJGHKZOCYBV-UHFFFAOYSA-N 339.443 1.504 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N(C)C 39611721 YSDUVASZTAOWBI-CQSZACIVSA-N 340.807 1.726 0 40 EDAB O=C(O)[C@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)CCO1 49864879 XYYLWNJRBCITQT-LLVKDONJSA-N 334.155 1.684 0 40 EDAB CCc1nnc2n1CCN(CC(=O)N1CCC(c3ccccc3)=N1)C2 69489992 BFEWLRVANCOUJE-UHFFFAOYSA-N 338.415 1.293 0 40 EDAB O=C(CN1CCN(C(=O)NCc2ccccc2)CC1)N1CCCC1 17115617 LJBXHQFEAVLEDL-UHFFFAOYSA-N 330.432 1.136 0 40 EDAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 5252772 VLMFFIIADBXGPO-UHFFFAOYSA-N 345.380 1.940 0 40 EDAB CCCCOc1ccc(C(=O)NCC(=O)O[C@@H]2CCOC2=O)cc1 5212636 ULSCOLMSOIXPEA-CQSZACIVSA-N 335.356 1.454 0 40 EDAB aggregator CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(C)c(C)c1 65479411 XAVYEEYMSKFCIG-HNNXBMFYSA-N 333.432 1.310 0 40 EDAB Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)cc1 65562979 RXZQBJSSNKAYAH-CQSZACIVSA-N 340.470 1.679 0 40 EDAB CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O 65501047 UPRUTNKISCAIKU-OAHLLOKOSA-N 341.770 1.772 0 40 EDAB O=C(CNC(=O)c1ccc(OC(F)F)cc1)NC[C@@H]1CCCO1 6402175 WXMFBXCMCHCXLF-LBPRGKRZSA-N 328.315 1.313 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNS(=O)(=O)N3CCCC3)cc2)n1 65626003 OBKPLSWLDCKKOA-UHFFFAOYSA-N 348.472 1.962 0 40 EDAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(=O)OC)cc1 4551675 SORSKMWSJWXYDK-ZDUSSCGKSA-N 334.397 1.829 0 40 EDAB CC(C)n1cc(CN2CCCN(C(=O)[C@H](C)n3cncn3)CC2)cn1 69600273 KSCTZUWDEFOYPZ-HNNXBMFYSA-N 345.451 1.351 0 40 EDAB CC(=O)Nc1ccc(C(=O)OCc2nnnn2-c2ccccc2)cc1 17527029 WUYDKVGPWJSMHR-UHFFFAOYSA-N 337.339 1.978 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)NS(=O)(=O)c2ccc(F)cc2F)cn1 69775877 FKHRSPDITMFPGV-WDEREUQCSA-N 341.339 1.307 0 40 EDAB COc1ccc(NC(=O)CCN2CCC[C@H](N3CCNC3=O)C2)cc1 69775520 FIPJFZLTORVAJR-HNNXBMFYSA-N 346.431 1.513 0 40 EDAB O=C(CN1CCCC1=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 69815633 CWARTXZBFMPAPW-UHFFFAOYSA-N 349.284 1.922 0 40 EDAB CC1(C)NC(=O)N(CC(=O)NCC2(c3ccc(F)cc3)CCC2)C1=O 69810078 JWOCJQWKYXNTHI-UHFFFAOYSA-N 347.390 1.694 0 40 EDAB CN(C)c1ccccc1NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 67563819 UPZRQXRAVITTSG-GFCCVEGCSA-N 340.449 1.298 0 40 EDAB O=C(c1ccc2ccccc2n1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 7813530 RYMJAQJJBJAGGO-KRWDZBQOSA-N 339.395 1.698 0 40 EDAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 409207681 XEHJHPSLMKFQAJ-ZDUSSCGKSA-N 342.461 1.914 0 40 EDAB Cc1ccc(NC(=O)CNC(=O)CNC(=O)c2ccco2)cc1Cl 7940755 UDDIERNYMANMTF-UHFFFAOYSA-N 349.774 1.726 0 40 EDAB NC(=O)c1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 8074414 OFEYVPURCNXEPP-UHFFFAOYSA-N 344.396 1.550 0 40 EDAB NC(=O)NCCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1 8075579 YAVUPPFFIYQBAS-UHFFFAOYSA-N 338.839 1.827 0 40 EDAB CCN(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)CC(C)(C)O 72284588 MNPMJTGPSUPURD-ZDUSSCGKSA-N 333.432 1.843 0 40 EDAB O=C(CN1C(=O)CCCc2sccc21)N[C@@H]1CCc2nccn2C1 72270503 MHJNWNQLBFPSSQ-GFCCVEGCSA-N 344.440 1.745 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H]2c2noc(C3CC3)n2)n1 72299484 MHOIAHCKJICCAX-LBPRGKRZSA-N 329.360 1.176 0 40 EDAB O=C(CN1CCC[C@H](c2noc(C3CC3)n2)C1)NCc1ccccn1 72299875 SHIISWLSJSTTTQ-AWEZNQCLSA-N 341.415 1.838 0 40 EDAB CC1(C)CC[C@H](C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c2ccccc21 72290625 IRCBKKGVDTVFGA-DJJJIMSYSA-N 341.411 1.652 0 40 EDAB Cn1cc(Br)cc1C(=O)N1CCC[C@H](n2cncn2)C1 72299449 TWQUEBKXFSDAPG-NSHDSACASA-N 338.209 1.856 0 40 EDAB O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1ccc2c(c1)OCCO2 9550359 MFROPRUGPJPXHL-CQSZACIVSA-N 343.335 1.589 0 40 EDAB O=C(NCCCc1cccc(F)c1)NC[C@@H]1CCS(=O)(=O)C1 69059968 DOELBKIBSJTSMN-ZDUSSCGKSA-N 328.409 1.492 0 40 EDAB CCOc1ccccc1CCNC(=O)N1CCS(=O)(=O)CC1 71803977 PEQXVFAFNNJKIR-UHFFFAOYSA-N 326.418 1.068 0 40 EDAB C[C@@H](O)CN1CCC(CNCC(=O)NCc2ccccc2F)CC1 71870971 BRLBKQUCIYEIQC-CQSZACIVSA-N 337.439 1.124 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)C2CCN(CC(C)C)CC2)CC1 71881811 CKEXDJUSJIUMDG-KRWDZBQOSA-N 325.497 1.270 0 40 EDAB CCn1cc([C@H]2OCC[C@@H]2CNCc2ccc(C(N)=O)cc2)cn1 83843498 WJGNDZDPWFRWFQ-WBVHZDCISA-N 328.416 1.869 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)[C@H]1CCCN(c3ccccn3)C1)CC2 97198943 AKHTXESBCPHTKL-LSDHHAIUSA-N 340.431 1.329 0 40 EDAB CN(C)[C@@H](CNC(=O)CN1CCOC2(CCC2)C1)c1ccccc1 97163470 FXDMMYYQYJNPPZ-KRWDZBQOSA-N 331.460 1.660 0 40 EDAB O=C(Nc1ccnc2ccnn12)C1CCN(CC(F)(F)F)CC1 71902883 KNXACOSMYLVZRU-UHFFFAOYSA-N 327.310 1.942 0 40 EDAB O=C1CN(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)C(=O)N1 84502080 HTULGSMLCVXCQL-BDAKNGLRSA-N 327.262 1.392 0 40 EDAB CC(C)N1N=C(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CCC1=O 84597438 HYZSWFHERLNHKR-ZDUSSCGKSA-N 345.403 1.997 0 40 EDAB C[C@H](Cc1ccsc1)NC(=O)c1ccc(CNS(C)(=O)=O)o1 84753157 JJWORDGIUPMSTA-SNVBAGLBSA-N 342.442 1.751 0 40 EDAB CN(C)C1(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)CCC1 95418271 HVNGKBADJVNZOJ-QZTJIDSGSA-N 343.471 1.583 0 40 EDAB Cc1cc(F)c(C(=O)NC[C@H](Cc2cnn(C)c2)C(N)=O)cc1F 95450663 FADPSCBRNXRCNF-NSHDSACASA-N 336.342 1.081 0 40 EDAB Cc1nn(C)c(C)c1C(=O)C(=O)NCC1([C@H](O)c2ccccc2)CC1 95434559 HVOFEELZVFDRJL-QGZVFWFLSA-N 341.411 1.850 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(C)(C)C(=O)O)cc1 95425506 QTGYNZOEWNYHJN-UHFFFAOYSA-N 342.417 1.214 0 40 EDAB O=C1CN(C(=O)c2cnn(-c3ccccc3)n2)[C@@H]2CCCC[C@@H]2N1 98019287 BYYGRYCWXGDLGJ-DZGCQCFKSA-N 325.372 1.151 0 40 EDAB Brc1ccccc1Cc1nnn(CCn2cccn2)n1 95980516 RQGNZRGTXQIIMM-UHFFFAOYSA-N 333.193 1.923 0 40 EDAB Cc1cc(C)c(Br)c(C(=O)NCCS(N)(=O)=O)c1 95943082 NWBBUBLSNPNNFW-UHFFFAOYSA-N 335.223 1.084 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N(C)CC(F)(F)F 75122616 SAXZWOWMJDYXPI-UHFFFAOYSA-N 340.305 1.704 0 40 EDAB COc1ccc(OC)c(C(=O)N2CCN([C@H]3CCSC3)CC2)c1 75106517 QYLVPVUNJAPWMP-ZDUSSCGKSA-N 336.457 1.967 0 40 EDAB C[C@@H](c1cn(-c2ccccc2)nn1)N1CCc2nn(C)c(=O)cc2C1 89913486 VBPZHNSMGPEDMC-ZDUSSCGKSA-N 336.399 1.480 0 40 EDAB Nc1nccnc1C(=O)OCC(=O)N1CCSc2ccccc21 10141537 VSENFWFWEMERKG-UHFFFAOYSA-N 330.369 1.355 0 40 EDAB Cc1ccc(CN(C)C(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 24635683 ZMJICAKALCIQCP-UHFFFAOYSA-N 338.415 1.833 0 40 EDAB O=S(=O)(c1c(F)cc(F)cc1Br)N1CCOCC1 37383189 RJBYPPCUMRRWNO-UHFFFAOYSA-N 342.161 1.748 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1 409126991 PVIUOLYQJQYYQE-GFCCVEGCSA-N 334.397 1.590 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)C1CCOCC1 517733013 VSDJGGIRBMVTAK-ZDUSSCGKSA-N 347.820 1.746 0 40 EDAB COc1ncccc1NC(=O)C[C@@H](c1ccsc1)n1cnnn1 524732346 QKXFVWRUODHZDV-LBPRGKRZSA-N 330.373 1.756 0 40 EDAB CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H](O)C1CCOCC1 530827048 SKIDUJDMGWYPPM-PKOBYXMFSA-N 346.471 1.754 0 40 EDAB CNCC(=O)N1CCC[C@@H]1c1cc(Nc2nnc(C)s2)nc(C)n1 72360931 AABCCJBTBWQHTM-GFCCVEGCSA-N 347.448 1.571 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218461719 LMTPREMMWVSIDW-DYEKYZERSA-N 331.821 1.359 0 40 EDAB Cc1cc(N(C)C)nc([C@]2(C)CCCN2C(=O)c2cncnc2)n1 72388435 KQKITJVJQBEPIT-KRWDZBQOSA-N 326.404 1.792 0 40 EDAB COc1ccc(NC(=O)C(C)(C)CNS(C)(=O)=O)cc1OC 225959245 MHYKGBFBZFYGJM-UHFFFAOYSA-N 330.406 1.218 0 40 EDAB CCOC(=O)c1cnc(N2CCCC2)nc1CN1C[C@H](C)O[C@H](C)C1 41363376 CPCCMRHNRDDNQX-OKILXGFUSA-N 348.447 1.863 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCN(CCn3ccnc3)CC2)cc1 75158045 ODARUCYPNHDMMJ-UHFFFAOYSA-N 348.472 1.452 0 40 EDAB CCC[C@@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 44790177 UQJFGWBVOJNZEM-BXUZGUMPSA-N 326.418 1.518 0 40 EDAB CN1CCN(C[C@H](O)CN(C)Cc2cc(F)ccc2Cl)CC1 225462597 KFRDQOSNIRNNSH-OAHLLOKOSA-N 329.847 1.519 0 40 EDAB COC(=O)C1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1 46430086 FTQQBFSNMUDSDJ-UHFFFAOYSA-N 344.371 1.476 0 40 EDAB Cc1cc(C)cc([C@H](O)CNC(=O)NCCCN2C(=O)CCC2=O)c1 225757825 GDNOCVPKCRQAIZ-OAHLLOKOSA-N 347.415 1.175 0 40 EDAB CO[C@H](C)CS(=O)(=O)NCc1cccc(NC(=O)C2CCC2)c1 195082857 NNDULKIBSFKFQW-GFCCVEGCSA-N 340.445 1.880 0 40 EDAB CN(C)C(=O)C[C@H]1C[C@H]2CN(CCOCc3ccccc3)C[C@H]2O1 96219668 XAQWNHDCXXGIDE-RCCFBDPRSA-N 332.444 1.771 0 40 EDAB CCn1cc([C@H]2CN(C(=O)NCc3cccc(C)n3)CCO2)cn1 191378263 DRPSWSXICKUQES-MRXNPFEDSA-N 329.404 1.890 0 40 EDAB CC1(CNC(=O)N2CCN3C(=O)NC[C@H]3C2)Cc2ccccc2C1 91936359 KAOBUJKVFQVIFB-HNNXBMFYSA-N 328.416 1.211 0 40 EDAB O=C(NCc1ccc2c(c1)CCC2)NCC1CCS(=O)(=O)CC1 96484948 DCCLLSWZMJDIPC-UHFFFAOYSA-N 336.457 1.799 0 40 EDAB O=c1ccc2c(n1Cc1cccnc1)CCN([C@H]1CCOC1)CC2 96196715 CLFQYICBICSSLP-KRWDZBQOSA-N 325.412 1.481 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1csc(-c3ncccn3)n1)C2 97199188 NHUSDXZNTHEUMV-LLVKDONJSA-N 340.412 1.850 0 40 EDAB CS(=O)(=O)N[C@@H]1CN(Cc2ccsc2)C[C@@H]2CCCO[C@@H]21 96083165 SAWDVSIWOXVJQB-MJBXVCDLSA-N 330.475 1.277 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CN(Cc2ccoc2)C[C@H]2OCC[C@H]21 96041173 ZEWZDUUTZMTBLZ-OKZBNKHCSA-N 341.411 1.828 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCn2cc(Cn3cncn3)nc2C1 96197380 VMRHRHNMMSPHFJ-UHFFFAOYSA-N 340.362 1.247 0 40 EDAB Cc1nnc(C[C@@H]2C[C@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@H]3O2)o1 96215870 FDJVXOOPHDOVLV-SLEUVZQESA-N 344.371 1.716 0 40 EDAB Cn1ncc(NS(=O)(=O)c2cc(F)cc(Cl)c2)c1C(=O)O 536993524 XTNICSNXMYSOIY-UHFFFAOYSA-N 333.728 1.712 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2cnoc2C)CC1 98211893 BALQIFNRJVJDDL-UHFFFAOYSA-N 345.447 1.610 0 40 EDAB Cc1noc(C)c1CN1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 96239194 CIIIFVSMZJJERH-QGZVFWFLSA-N 327.388 1.710 0 40 EDAB Cc1cc(N2CCC(NC(=O)COCC(F)(F)F)CC2)nc(C)n1 96454879 CKJLEPNEVDCMFO-UHFFFAOYSA-N 346.353 1.757 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)COc1c(C)nn(C)c1C 95412307 NQFOCFUZSRYWKW-JTQLQIEISA-N 333.436 1.513 0 40 EDAB Cn1cc(CN2CCC3(CC2)CCN(C(=O)c2cnccn2)C3)cn1 96157504 DULPDWMTMDHKGK-UHFFFAOYSA-N 340.431 1.338 0 40 EDAB Cc1nn[nH]c1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 583617996 SDNVDLGZDJSAMX-VIFPVBQESA-N 342.325 1.885 0 40 EDAB Cn1cc(CC(=O)N[C@H]2CCc3n[nH]c(=O)cc3C2)c2ccccc21 244975156 IDTWPWRIEPUKNI-AWEZNQCLSA-N 336.395 1.478 0 40 EDAB O=C(c1ncccn1)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 247862369 NBAFPFJVKKQFCW-CQSZACIVSA-N 342.424 1.789 0 40 EDAB Cc1cc(C)nc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)n1 257255304 KGZLWUPMTUCUQV-OAHLLOKOSA-N 328.420 1.523 0 40 EDAB CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)ccn1 257338465 YXMVTWWWANQANI-CYBMUJFWSA-N 327.388 1.251 0 40 EDAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@@H](Cc1cncnc1)CO2 257207482 BHYOZMYYDDESKO-CQSZACIVSA-N 341.415 1.464 0 40 EDAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)CN)C2)ncn1 257229660 FZABATHYZXLANE-ZDUSSCGKSA-N 329.404 1.488 0 40 EDAB Cc1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)on1 257305364 SPQSJQOAPSZNJZ-KRWDZBQOSA-N 330.388 1.482 0 40 EDAB Cc1nccc([C@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1 257320345 VWJMHPPMXLQOHO-OAHLLOKOSA-N 325.434 1.821 0 40 EDAB CN(C)c1ncc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cn1 257253459 JZAOCORCBOPHEF-AWEZNQCLSA-N 342.403 1.504 0 40 EDAB CCc1cc2c(N3CCC[C@H](NS(C)(=O)=O)C3)ncnc2s1 42108299 XAEYLICEBMYSSY-JTQLQIEISA-N 340.474 1.772 0 40 EDAB O=C(N[C@H](C(=O)O)[C@H]1CCCOC1)c1csc([C@H]2CCCO2)n1 262853119 UKAWDOGPCSIRGH-WCQGTBRESA-N 340.401 1.604 0 40 EDAB Cc1cnc(N)c(S(=O)(=O)N2CCC(CCC(=O)O)CC2)c1 548235085 BGUMTOXSUUQGGX-UHFFFAOYSA-N 327.406 1.238 0 40 EDAB O=C(Cc1ccn(CC(F)(F)F)n1)N1CCOc2ncccc2C1 1615591518 YQUCJXDAJKTUDR-UHFFFAOYSA-N 340.305 1.804 0 40 EDAB CCNc1ncnc2cc(C(=O)NC[C@@H]3CCCS3(=O)=O)ccc12 1615557441 FHCBJXKWBZNXSP-LBPRGKRZSA-N 348.428 1.369 0 40 EDAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)COc1ccc2c(c1)CCC(=O)N2 607321950 UUVNECDWLHMOID-VHSSKADRSA-N 344.411 1.880 0 40 EDAB O=C(CC1CC1)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 575406110 VXCCZSVMBCVEIO-HNNXBMFYSA-N 332.404 1.511 0 40 EDAB O=C(C1CC(O)C1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 585108626 NSXMOCRLQZZAOR-VXCBZECXSA-N 332.400 1.128 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccc(C)cc1)[C@@H](C)C2 585097568 MANVTJZAKIKYEJ-AWEZNQCLSA-N 344.415 1.585 0 40 EDAB COCCn1nccc1C(=O)N1CCC[C@@]2(CCN2CC(C)C)C1 585102265 VVDRERRREWDBCS-GOSISDBHSA-N 334.464 1.866 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCN(c2ncccn2)CC1 46831466 CNBFYUUGAHXBAO-HOTGVXAUSA-N 347.463 1.904 0 40 EDAB COCCn1nc([C@H]2CCCN(C(=O)C3CC3)C2)n(C2CC2)c1=O 77150269 QGLFZRVAWDCZQX-ZDUSSCGKSA-N 334.420 1.142 0 40 EDAB COc1cccc2cc(C(=O)N3CCOC[C@H]3CN(C)CCO)oc12 85469711 VMOAZSCUNHDDQE-CQSZACIVSA-N 348.399 1.207 0 40 EDAB O=C1CC[C@H](C(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccn2)C3)CN1 585401592 MZNHPIXUFDVQJC-IHRRRGAJSA-N 329.400 1.509 0 40 EDAB Cc1ccc(-c2nnn(C3CCN(C(=O)c4cnccn4)CC3)n2)cc1 12143226 ZFPTVGATJQXAOF-UHFFFAOYSA-N 349.398 1.916 0 40 EDAB COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(C(C)C)c3n2)cc1 12145937 RUUCDDUIUHZASX-UHFFFAOYSA-N 327.344 1.475 0 40 EDAB O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc2c(c1)CCC2 16084898 SZZVUFVQWDBKAE-UHFFFAOYSA-N 342.380 1.919 0 40 EDAB NC(=O)c1ccc(C2CCN(C(=O)[C@H]3CC34CCC4)CC2)nc1N 19765810 TXGHKVWZRITRFI-CYBMUJFWSA-N 328.416 1.659 0 40 EDAB COc1ccccc1S(=O)(=O)NCC1(OC)CCSCC1 252568967 VRVDSOKIDUNCIV-UHFFFAOYSA-N 331.459 1.886 0 40 EDAB COc1ccc(O[C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)nn1 225437162 VOCXMONEJJYKFL-NSHDSACASA-N 330.344 1.644 0 40 EDAB COc1ccccc1CNC(=O)COC(=O)c1ccc(O)cc1O 3528975 YAIUYNVMQAGCJR-UHFFFAOYSA-N 331.324 1.580 0 40 EDAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2ccnn2C)C3)nc1 1888869449 ROVDVIYCNDNURF-KDOFPFPSSA-N 341.415 1.840 0 40 EDAB c1nc(N2CC[C@@H](COc3cc4c(nn3)CCC4)C2)c2nc[nH]c2n1 1888904163 GSOQTUOOTLDLOG-LLVKDONJSA-N 337.387 1.537 0 40 EDAB Cc1nccc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)n1 1889077243 SWSXGYATUYTITQ-UHFFFAOYSA-N 325.420 1.502 0 40 EDAB COc1cc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncn1 1889099040 DJEVMKZDMIQTIY-UHFFFAOYSA-N 340.374 1.959 0 40 EDAB O=C([C@@H]1CN(Cc2csc(C3CC3)n2)CCO1)N1CCOCC1 1889108411 CCSBWKRGUQIBPZ-AWEZNQCLSA-N 337.445 1.080 0 40 EDAB O=C(CN1CCSC1=O)NCC1(N2CCOCC2)CCCCC1 23584610 GFMQYVMYIUUCTI-UHFFFAOYSA-N 341.477 1.307 0 40 EDAB Cn1cncc1C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1775985900 HIXOKUGRTWQVRO-QGZVFWFLSA-N 327.384 1.966 0 40 EDAB O=C(CN1CSCC1=O)NCc1csc(Br)c1 32581239 LFAJOEVWVBOOCW-UHFFFAOYSA-N 335.248 1.660 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3C[C@@]32C(=O)N2CCC(C)CC2)n(C)n1 2056225367 OOKCBBAHGUAWNN-KSSFIOAISA-N 330.432 1.592 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCc2onc(COc3ccccn3)c2C1 1142642187 WJZWFTZMRQVBMH-LAQFHYBYSA-N 341.367 1.426 0 40 EDAB Cn1c(C(=O)N2CCc3ncnc(-c4ccncc4)c3C2)cccc1=O 1565556015 UGVWIKLJPXNBOO-UHFFFAOYSA-N 347.378 1.436 0 40 EDAB O=C(C[C@H](NCCOCCO)C(=O)O)Nc1ccc2ccccc2c1 4939777 APUGGEAVGMPCIZ-INIZCTEOSA-N 346.383 1.220 0 40 EDAB Cn1nccc1C(=O)N[C@H]1CCc2onc(CN3CCCC3)c2C1 2055732612 UMBANSJIQFWSHQ-LBPRGKRZSA-N 329.404 1.291 0 40 EDAB O=c1c(Cl)c(N2CCN(CCO)CC2)cnn1-c1ccccc1 19858300 PMELKIKOXUTEPF-UHFFFAOYSA-N 334.807 1.000 0 40 EDAB CCCc1nnsc1C(=O)NCCn1cnc2sccc2c1=O 225810144 PWGDJYVQPVKUDF-UHFFFAOYSA-N 349.441 1.692 0 40 EDAB COc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)ncn1 2298215369 VMEPWTQTXKWLAK-UHFFFAOYSA-N 326.360 1.576 0 40 EDAB Cc1cc(C)n(-c2cc(NCCNC(=O)C3CCCC3)ncn2)n1 35597293 IWWCWTUUMMUVCT-UHFFFAOYSA-N 328.420 1.997 0 40 EDAB COC(=O)C[C@H](c1ccc(C)o1)c1c(O)nc2ccccn2c1=O 96220836 UFVMPEPIAUTJAF-LLVKDONJSA-N 328.324 1.997 0 40 EDAB biogenic O=C(N1CCOCC1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 238919453 SVNDXVFAOMYOFR-CABCVRRESA-N 328.372 1.705 0 40 EDAB O=C(Nn1cnnc1S)C1CCN(C(=O)c2ccsc2)CC1 30564133 MJPNFGRZSZRBLA-UHFFFAOYSA-N 337.430 1.251 0 40 EDAB CCOC(=O)Cc1cc(=O)n2nc(COC)c(-c3ccccc3)c2[nH]1 100198571 VPXPUWHTUAFNLX-UHFFFAOYSA-N 341.367 1.942 0 40 EDAB Cc1cc(NC(=O)C2=NN(C)C(=O)CC2)n(Cc2ccccc2)n1 40493937 OXZOHWBSILGPEB-UHFFFAOYSA-N 325.372 1.787 0 40 EDAB COc1ccc(O)c(C(=O)c2cnn(-c3nccc(OC)n3)c2)c1 40555637 TWQMOOXBJARLGR-UHFFFAOYSA-N 326.312 1.616 0 40 EDAB CN1CC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1=O 32750834 ASGUMWURDDBOSS-SECBINFHSA-N 333.171 1.627 0 40 EDAB CN(CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21)S(C)(=O)=O 46213842 XTNSNDPVPQHOSU-INIZCTEOSA-N 336.457 1.946 0 40 EDAB Cc1noc(C)c1CN1CCN(S(=O)(=O)c2cccnc2)CC1 29818322 IREYMBZLCWAVAA-UHFFFAOYSA-N 336.417 1.193 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)NCCN1CCC[C@H]2CCCC[C@@H]21 76017877 JDXMNRJNYJKAHJ-OAGGEKHMSA-N 344.521 1.971 0 40 EDAB NC(=O)c1ccc(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)cc1 78733078 NNDFIKOGMHDSRW-UHFFFAOYSA-N 338.363 1.984 0 40 EDAB C[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C[C@@H]1N(C)C 78895766 JGBHVUAODSGVAR-WBMJQRKESA-N 331.416 1.359 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)C[C@H](NC(C)=O)c1cccs1 32879634 ULHYWFYTONFFGL-PWSUYJOCSA-N 325.434 1.346 0 40 EDAB COc1ccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1F 41618545 VDBPIQCHZBZPNF-LLVKDONJSA-N 344.408 1.236 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 3634393 GYSZDHKATPXQEB-UGUYLWEFSA-N 348.374 1.353 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4024291 VDLSNXQRYWSHGB-OLMMMNRUSA-N 348.395 1.853 0 40 EDAB CC(C)[C@@H]1NC(=O)N(CC(=O)N(C)Cc2ccc(Cl)s2)C1=O 32907877 IRMXGKVVHQZETC-LBPRGKRZSA-N 343.836 1.936 0 40 EDAB CCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 6843206 VNZNKEAHANZUGE-UHFFFAOYSA-N 334.825 1.542 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccco2)c1 7309841 KFXHIGWDVBTRPM-UHFFFAOYSA-N 336.413 1.833 0 40 EDAB O=C(COC(=O)CNC(=O)C1CCCCC1)NCCc1ccccc1 7563348 IVBZUFRSUWPCAJ-UHFFFAOYSA-N 346.427 1.585 0 40 EDAB c1cncc(CN2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)c1 107738997 UEPOILGZIKXSFL-ROUUACIJSA-N 328.416 1.586 0 40 EDAB CC1CCC(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)CC1 8390807 DRSWFZHWSWJFPV-UHFFFAOYSA-N 343.383 1.775 0 40 EDAB COC(=O)Cc1c(C)nc2nc(NCc3ccc(F)cc3)nn2c1O 102802626 JJDXDKFTJLYYGN-UHFFFAOYSA-N 345.334 1.605 0 40 EDAB C[C@H](C(=O)NCC(F)(F)F)N1CCN(Cc2ccccc2)CC1 22024898 SPGOHPBHGPLLKD-CYBMUJFWSA-N 329.366 1.871 0 40 EDAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1 582755 XTVOIKYXCWCWFU-UHFFFAOYSA-N 333.413 1.938 0 40 EDAB CN(C)C1(C(=O)NCCCCN2CCOCC2)Cc2ccccc2C1 72293113 LGQYYRFEKGZIIR-UHFFFAOYSA-N 345.487 1.314 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)C(=O)NC[C@H]3CC=CCC3)ccc21 72254844 MNSIPYMMUVUXKP-NSHDSACASA-N 329.356 1.543 0 40 EDAB Cc1noc(N)c1C(=O)OCC(=O)NCCCN(C)c1ccccc1 9338601 RFXKYKMLXHUMBP-UHFFFAOYSA-N 346.387 1.365 0 40 EDAB CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)nc2)CC1 47523173 TVSDCLRZZXGZSI-UHFFFAOYSA-N 340.383 1.814 0 40 EDAB CC[C@@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)N1CCCC1 42499527 XDYFLJOOGTUIKV-HNNXBMFYSA-N 345.443 1.941 0 40 EDAB Cc1ccc(CN2CCCN(C(=O)C3=NN(C)C(=O)CC3)CC2)cc1 23243494 OWIMQCARRMSJRA-UHFFFAOYSA-N 342.443 1.638 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2CCN(c3ncccn3)CC2)cc1 23387169 WPXBUUDDSONYOE-INIZCTEOSA-N 328.416 1.347 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(N2CCCS2(=O)=O)cc1 42854926 INVIOROAEBGSSN-QWHCGFSZSA-N 339.461 1.942 0 40 EDAB O=C1C[C@@H](c2ccccc2)N2N=C(NC(=O)/C=C/c3ccco3)NC2=N1 1235331 UAHGIFVJZAETAI-VFNNOXKTSA-N 349.350 1.613 0 40 EDAB Cc1csc(N2CCN(C(=O)CNC(=O)c3ccco3)CC2)n1 24708048 DKFMZYMMFUHTNW-UHFFFAOYSA-N 334.401 1.123 0 40 EDAB COc1ccccc1NC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 24990002 BFTNLYMLCWGKKC-HOCLYGCPSA-N 349.431 1.554 0 40 EDAB COCCN1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 106576499 LUASMZZQQXRJFW-CVEARBPZSA-N 345.443 1.124 0 40 EDAB C[C@H](O)CN1CCN(C[C@H](O)COCc2ccccc2F)C[C@H]1C 106869170 APAXUUNJALDEOO-VYDXJSESSA-N 340.439 1.090 0 40 EDAB CN(CC(=O)N1CCC[C@@H]1c1cccs1)[C@H]1CCS(=O)(=O)C1 106818757 ITCXJRDLOJZCKX-QWHCGFSZSA-N 342.486 1.531 0 40 EDAB O=C([C@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21)N1CCCO1 107713903 NJIUAFWDLTWFRE-OIISXLGYSA-N 334.391 1.684 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 3289740 SHBCZXKAFMOYMY-UHFFFAOYSA-N 341.385 1.349 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc(CS(N)(=O)=O)cc1 25584086 DZYVVGVFZODBPA-UHFFFAOYSA-N 336.417 1.007 0 40 EDAB O=C(NCCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccoc1 57008749 SLTIFNXUYGNIKH-UHFFFAOYSA-N 348.424 1.867 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(F)c(F)c1 12607083 CQZHFDQKTFNJEV-UHFFFAOYSA-N 345.305 1.997 0 40 EDAB O=S(=O)(Nc1ccc(-n2cncn2)nc1)c1ccc(F)c(F)c1 26542517 OYNXTOFWFWGKAZ-UHFFFAOYSA-N 337.311 1.741 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3ccccc3n2)C1 44381687 NIYNNVCSFZZESQ-ZDUSSCGKSA-N 333.413 1.845 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 58171658 NTCVDEXQVHYHJF-ZDUSSCGKSA-N 345.374 1.870 0 40 EDAB O=c1cc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)[nH]c(=O)[nH]1 44868306 WJOBWBJNBMBFRK-AWEZNQCLSA-N 343.383 1.562 0 40 EDAB CCCCNC(=O)CN1CCN(Cc2nc3ccccc3o2)CC1 44871428 IIDCVALZFDOUII-UHFFFAOYSA-N 330.432 1.862 0 40 EDAB Cc1cc(N(C)CC(=O)NCC(F)(F)F)nc(-c2ccncc2)n1 58227292 KHRLTRRHLGEHCP-UHFFFAOYSA-N 339.321 1.962 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)c2cc(Cl)ccc2O)C1 58283034 GDIYXPHYWVCAOG-JTQLQIEISA-N 332.809 1.199 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O 44944257 ROIIWQLBEHYWRW-QGZVFWFLSA-N 337.339 1.828 0 40 EDAB CS(=O)(=O)c1ccc(-n2nnnc2CNc2ccccc2)cc1 58440352 GDMQLUVOQVWHPN-UHFFFAOYSA-N 329.385 1.678 0 40 EDAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NO[C@H]1CCCCO1 58430017 FRPHQNKCYKKKKW-IEKYFPHUSA-N 336.432 1.893 0 40 EDAB COc1ccc(CN(C)CCCN2C(=O)NC(C)(C)C2=O)cc1OC 48364173 ISFWQLFZTVNOQL-UHFFFAOYSA-N 349.431 1.856 0 40 EDAB O=C(NCCc1cn2ccccc2n1)NC[C@H](O)CN1CCCCC1 48342014 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LFFHOQVMXCECRV-HZPDHXFCSA-N 344.411 1.401 0 40 EDAB CCCNC(=O)[C@@H]1CS[C@H]2c3ccc(OC)c(OC)c3C(=O)N21 4081706 IEICPRZMSJIHBJ-QFYYESIMSA-N 336.413 1.800 0 40 EDAB biogenic CCc1nnc2n1CCN(C(=O)[C@H](C)n1c(=O)oc3ccccc31)C2 69460201 BIGHKJBCLNSNKW-NSHDSACASA-N 341.371 1.352 0 40 EDAB Cc1noc(C2CCN(C(=O)CS(=O)(=O)C3CCCC3)CC2)n1 65104101 NPMFWFKFMQEORL-UHFFFAOYSA-N 341.433 1.441 0 40 EDAB Cn1cnc2c1CCN(CCOc1ccc3c(c1)CCC(=O)N3)C2 69511058 HLMCKYUKUVTTTE-UHFFFAOYSA-N 326.400 1.742 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)NC[C@@H]2CCOC2)Oc2ccccc21 65405100 NWJALCYUETYPFH-LSDHHAIUSA-N 333.432 1.952 0 40 EDAB C[C@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1ccccc1 65452992 ABJQFFRHJIHJRK-DZGCQCFKSA-N 339.461 1.861 0 40 EDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C2=O 4469292 JPZCFOGDJPIFSH-UHFFFAOYSA-N 338.408 1.111 0 40 EDAB CCOCCCNC(=O)c1ccc(S(=O)(=O)CCOC)cc1 65592915 FGBMDGXKOMKENQ-UHFFFAOYSA-N 329.418 1.263 0 40 EDAB COCC[C@H]1CN(c2ncnc3sc4c(c23)CCNC4)CCO1 65395795 YUBCMWFXMIZYGX-NSHDSACASA-N 334.445 1.579 0 40 EDAB CCc1ccc2c(COC(=O)CCCNC(N)=O)cc(=O)oc2c1 14167724 ZDUAXVYLMBCMSK-UHFFFAOYSA-N 332.356 1.847 0 40 EDAB CC(C)N(CC(N)=O)C(=O)COc1ccc(F)cc1Br 6551203 LYPGEVICCPHOQW-UHFFFAOYSA-N 347.184 1.689 0 40 EDAB O=C1C[C@H](NS(=O)(=O)c2ccccc2)CN1Cc1ccccc1 69631624 DMBSAYZDXWJPKO-HNNXBMFYSA-N 330.409 1.766 0 40 EDAB Cc1nccc(C(=O)N2CCCN(Cc3ncc(Cl)n3C)CC2)n1 69626779 HPFQNWJDZVERJI-UHFFFAOYSA-N 348.838 1.520 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCC[C@H]2Cn2cncn2)cc1 69601076 KAQIEHUHRPMHAP-KRWDZBQOSA-N 327.432 1.710 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)c(F)cc1F 69869535 MTAPPZXZLDMLFS-PRHODGIISA-N 349.355 1.597 0 40 EDAB CCOC(=O)Cc1csc(SCC(=O)NC[C@H]2CCCO2)n1 7508214 SQPYWAGOVVJVQB-LLVKDONJSA-N 344.458 1.636 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)c2cccs2)CC1 7648866 WYKRVDSMTOVDGN-NSHDSACASA-N 337.445 1.241 0 40 EDAB CC(=O)N(CCc1ccccc1)CC(=O)N1C[C@@H]2CCC[C@H](C1)C2O 90651476 AHCBSJBGDXHNAS-UFRUDQCGSA-N 344.455 1.697 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](CC(N)=O)C2)cc1 72309379 KPIFDZBUHRPJFY-VIIAAUOXSA-N 329.400 1.173 0 40 EDAB Cc1cc(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)no1 96005019 VVWIUNXXCIIQQA-UHFFFAOYSA-N 328.394 1.061 0 40 EDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 71797419 AILMECVNKWSZLO-CZUORRHYSA-N 332.375 1.737 0 40 EDAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1cc(Cl)ccn1 97513472 OTMFMJWBVACBMM-GFCCVEGCSA-N 345.852 1.669 0 40 EDAB C[C@@H]1C[C@@H](OC(=O)Cn2cnc3c(oc4ccccc43)c2=O)C(=O)O1 71836551 JQDDDTQMRRJNNF-BXKDBHETSA-N 342.307 1.390 0 40 EDAB COc1ccc(CC(=O)N2CCC[C@H](N3CCNC3=O)C2)c(OC)c1 71830583 MCXLMKMRWVUZCL-AWEZNQCLSA-N 347.415 1.263 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(CC[S@@](=O)c3ccccc3)C2)C1=O 84597369 WLQVXWGJISJTMN-OSPHWJPCSA-N 349.456 1.199 0 40 EDAB CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H](C)CCN(C)C)cc21 71924117 HBNGEMAJULJGBN-GFCCVEGCSA-N 339.461 1.214 0 40 EDAB COc1ccc(Cl)c(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c1 71900684 BYTSOBOQSSGTHR-NSHDSACASA-N 332.853 1.921 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC(=O)NC2)cc1 95350709 SHRPMYVSEWVUFI-DOMZBBRYSA-N 345.399 1.151 0 40 EDAB CN1CCO[C@H]2CN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)C[C@@H]21 95439804 PSXHRLFKOCKUHC-KBPBESRZSA-N 348.827 1.324 0 40 EDAB COC(=O)c1c(CS(=O)(=O)c2ccc(C)cc2)nn2c1CCC2 98212421 IKVGRQDHNAHAFH-UHFFFAOYSA-N 334.397 1.898 0 40 EDAB C[C@@H]1c2ccc(F)cc2CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 73880920 RDTIWRGOTOCPAR-HIFRSBDPSA-N 347.434 1.682 0 40 EDAB CN(CC(=O)OCc1nc(-c2cccnc2)no1)C(=O)c1ccco1 73932893 QAZXKJPWBUAFFE-UHFFFAOYSA-N 342.311 1.540 0 40 EDAB Cc1nc(NC(=O)[C@H]2CNC(=O)N2)sc1Cc1ccccc1F 89562600 NFTZLSYQUBZAAK-LLVKDONJSA-N 334.376 1.801 0 40 EDAB CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)NCc2ccco2)c1 75144984 RQXZTOAIFKFQHZ-UHFFFAOYSA-N 341.364 1.991 0 40 EDAB Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 89749970 QIZWREXOJJQADN-HNNXBMFYSA-N 338.411 1.749 0 40 EDAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H](CCO)C1 89834954 ATBWBKQAKFJVSZ-QZTJIDSGSA-N 332.444 1.508 0 40 EDAB CC(C)OC[C@@H](O)CN1CCCN(c2nc3ccccc3[nH]2)CC1 89887786 VPMIZFMZDYPVGO-HNNXBMFYSA-N 332.448 1.861 0 40 EDAB CCOc1ccc(OCCNC(=O)CN2CCN(C)C[C@@H]2C)cc1 89991167 YFUWABDFPOTJCW-HNNXBMFYSA-N 335.448 1.216 0 40 EDAB C[C@H](NC(=O)NCCc1cnn(C)c1)c1ccc2c(c1)CC(=O)N2 89905046 IEOUSQHUMVWEOD-NSHDSACASA-N 327.388 1.518 0 40 EDAB NC(=O)Nc1cccc(C(=O)NCc2ccc(-n3ccnc3)nc2)c1 33043384 LDFQVDUWGMFQIV-UHFFFAOYSA-N 336.355 1.688 0 40 EDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc(Cl)s1 547548662 PCZYHARTXTZEGV-HTQZYQBOSA-N 339.822 1.560 0 40 EDAB O=C1NC(=O)[C@@H](CC(=O)n2ncn(-c3ccccc3)c2=S)S1 32597870 XFSDQFDWKTXRTN-SECBINFHSA-N 334.382 1.785 0 40 EDAB COCCn1ccc(=O)c(OCC(=O)Nc2ccccc2F)c1C 524735313 RGBFZINEYNUJKV-UHFFFAOYSA-N 334.347 1.960 0 40 EDAB Cc1n[nH]cc1C(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1N2 72347512 KEOMTXMBHGMQRG-QGZVFWFLSA-N 325.372 1.506 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)N(CCc1ccc3c(c1)CCO3)CC2 72661656 LPIJUGHPAXAVTI-UHFFFAOYSA-N 344.436 1.874 0 40 EDAB Cc1ccsc1[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)OCO2 70635814 UEBJYVSTUFIIPK-NSHDSACASA-N 348.380 1.574 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N1CCN(CCOc2ccccc2)CC1 72403542 SVAYXKHBAAAMPE-JKSUJKDBSA-N 346.427 1.566 0 40 EDAB Cc1c(C(=O)O)c(NCCN2CCCS2(=O)=O)nc2ccccc12 563813431 LWGMGWZUFIUPLQ-UHFFFAOYSA-N 349.412 1.689 0 40 EDAB Cc1c2nnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2nn1C 32647450 AHMOSRVMTIYXRL-UHFFFAOYSA-N 332.751 1.126 0 40 EDAB Cc1cc(C(=O)NCCCn2ccnc2)nc(N2CCCCC2)n1 72239831 NOEPTCZETFVKQT-UHFFFAOYSA-N 328.420 1.792 0 40 EDAB O=C(NCc1ccncc1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 34916436 ZCMUSLKTYCMZDV-OAHLLOKOSA-N 327.359 1.886 0 40 EDAB COCCCNc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)O 217572334 ZSRSTKWXBIDEAG-UHFFFAOYSA-N 328.390 1.274 0 40 EDAB C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC=C(c2ccccc2F)CC1 194085102 PEFOMFUFCFYJCX-GFCCVEGCSA-N 340.420 1.721 0 40 EDAB CCOc1ccc(C(=O)N2CCC(c3cc(C(N)=O)[nH]n3)CC2)cn1 225560389 VXFAHEGFMZBBTK-UHFFFAOYSA-N 343.387 1.322 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](Oc2cccnn2)C1 225457058 UNSCCOXUFICKRU-AWEZNQCLSA-N 329.404 1.819 0 40 EDAB Cc1ccc(Cn2cccc(NC(=O)[C@@H]3C[C@@H]3C(=O)O)c2=O)cc1 191652084 UGOMWXFJVZOLEH-KGLIPLIRSA-N 326.352 1.864 0 40 EDAB O=C(COc1ccc(Cl)cc1Cl)N[C@@H]1C[C@@H](CO)[C@H](O)C1 85468867 JZFNZHUERANLRO-MKPLZMMCSA-N 334.199 1.620 0 40 EDAB O=C1CC[C@H](N2CCN(Cc3cccc4c3OCO4)CC2)CCN1 575603197 ONWAWEAZJXPICF-HNNXBMFYSA-N 331.416 1.202 0 40 EDAB O=C(c1cnccn1)N1CCc2ncnc([C@@H]3CCOC3)c2CC1 96058669 VSRMTUSLAWVNMJ-GFCCVEGCSA-N 325.372 1.012 0 40 EDAB CCCOc1c(Br)cc(C(=O)NCCO)cc1OC 98067244 GTWKGACWIISVAS-UHFFFAOYSA-N 332.194 1.969 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1F 96424119 HACXMRUTHUFCOK-CYBMUJFWSA-N 343.468 1.296 0 40 EDAB CN(Cc1cccnc1)Cc1cn2c(n1)CN(C1CCOCC1)CC2 96197493 BHCOXVRZAMFVJZ-UHFFFAOYSA-N 341.459 1.905 0 40 EDAB CN(C)CCN1CCc2c(nnn2C)[C@@H]1COCc1ccccc1 96045324 DLMMIFWPYFLURH-KRWDZBQOSA-N 329.448 1.493 0 40 EDAB CN(C)Cc1cnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2 96196785 WBNUHQGLPUKJTP-UHFFFAOYSA-N 328.416 1.732 0 40 EDAB O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@@H]2O1 96041014 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344.415 1.393 0 40 EDAB COc1ccc(OC)c(C(=O)Cn2nnn(-c3cccs3)c2=O)c1 40494166 DHQKTMYCACUQQV-UHFFFAOYSA-N 346.368 1.391 0 40 EDAB CC(C)(C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br 40489309 QJMSWJWKKTYTSP-UHFFFAOYSA-N 335.223 1.625 0 40 EDAB O=C(c1occc1CS(=O)(=O)c1ccccc1)N1CCOCC1 40477445 WMPWXDARJUIJHE-UHFFFAOYSA-N 335.381 1.726 0 40 EDAB CN(C)CCCNc1c(NC[C@@H](c2ccccc2)N(C)C)c(=O)c1=O 101678212 PBIWNPQZZMKASN-HNNXBMFYSA-N 344.459 1.361 0 40 EDAB CCc1n[nH]c2c1CN(C(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1)CC2 32547760 KPKCHCHHMFWRKJ-DYVFJYSZSA-N 338.411 1.387 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 69558650 YCNDGYUBNXPKLA-UHFFFAOYSA-N 345.447 1.692 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)n1 69512769 NCEJRWHGDAZBLI-CQSZACIVSA-N 344.419 1.290 0 40 EDAB COCCNC(=O)NC(=O)CNc1ccc(Cl)c(C(=O)OC)c1 29942700 QOPRVVAPNRZUDY-UHFFFAOYSA-N 343.767 1.011 0 40 EDAB Cc1ccc(CCNC(=O)N2CCN(Cc3ccon3)CC2)cn1 76087016 PYTOJZRQRVJPNK-UHFFFAOYSA-N 329.404 1.448 0 40 EDAB 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1.135 0 40 EDAB O=C(CCn1cncn1)NCc1ccc(N2CCCCCC2)nc1 48278449 YIJAGTWDRDXIDC-UHFFFAOYSA-N 328.420 1.760 0 40 EDAB COc1ccc(C(N)=O)c(OCC(=O)NCc2ccccc2C)c1 48231230 YVGLSZOXMIXFTA-UHFFFAOYSA-N 328.368 1.798 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)N(C)Cc1ccc(C(=O)O)cc1 48263015 KRHHIJINZDAIJE-LBPRGKRZSA-N 326.418 1.936 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCOc3ccccc32)C1 58105192 RVNGLAKGIQDCEG-ZDUSSCGKSA-N 338.429 1.474 0 40 EDAB COc1ccccc1C[C@H]1CCCN1C(=O)CCN1C(=O)CCC1=O 58217471 ZCYLTTTVJOSQRF-OAHLLOKOSA-N 344.411 1.768 0 40 EDAB COCCOc1ncccc1C(=O)Nc1ccc2nc[nH]c(=O)c2c1 58201013 JPFCLCVYQSYJNT-UHFFFAOYSA-N 340.339 1.596 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)N(C)c1ccccc1 44941522 GOAWRXTWUMOITD-ZFWWWQNUSA-N 339.461 1.052 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)NCc2cccnc2)c1 44955369 ANEFQCLYQDCRKH-OAHLLOKOSA-N 331.372 1.632 0 40 EDAB Cn1cnnc1CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58314357 IXROVCDSBWAOJN-CQSZACIVSA-N 331.395 1.483 0 40 EDAB C[C@H](NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[C@@H]1CCCO1 58393626 YGSZIGCEQFCPMM-BBRMVZONSA-N 329.400 1.849 0 40 EDAB Cc1c(C)n(C[C@@H](O)CN2C(=O)CNC2=O)c2c(Cl)cccc12 28297096 QUSCLLGGKKPELH-LLVKDONJSA-N 335.791 1.824 0 40 EDAB CCN1CCN([C@H](C(=O)O)c2cn(C)c3ccc(C(=O)O)cc23)CC1 36360879 ZAPKFSBDHAKWBK-INIZCTEOSA-N 345.399 1.640 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)Cn2nnn(-c3cccs3)c2=O)c1C 10812964 XCUOAZFHVHDMFR-UHFFFAOYSA-N 345.384 1.521 0 40 EDAB C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccccc1Cl 48303527 LFECPSSHJPEROA-SNVBAGLBSA-N 335.795 1.511 0 40 EDAB Cc1cc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)no1 12851325 UVNSBMUHPOTWNL-UHFFFAOYSA-N 339.373 1.251 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C2=O 3595657 JFRUBESCECOBPT-HWPZZCPQSA-N 338.408 1.111 0 40 EDAB CSc1nc(C(=O)NCCNc2ccc(C)nn2)c2ccccn12 69869577 SLUIRXFDBNLZHN-UHFFFAOYSA-N 342.428 1.997 0 40 EDAB Cc1nc(NC(=O)NCC/N=C(\O)c2ncccc2O)sc1C 69897727 NDAUWKBMNUNUHP-UHFFFAOYSA-N 335.389 1.987 0 40 EDAB CCc1nnsc1C(=O)N1CSC[C@@H]1C(=O)N(CC)CC 69876671 ZYWOMGYCNHUDPE-SNVBAGLBSA-N 328.463 1.484 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)/C=C/c1nccs1 69814222 VMERJQHAZNBIIZ-KTRBRXNASA-N 336.461 1.215 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1C 13321321 BXFBGCOKDPCMMF-UHFFFAOYSA-N 348.472 1.718 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)COC(=O)c1cccc2c1OCCO2 64170843 DQJVSNWLRUBMLU-UHFFFAOYSA-N 345.355 1.604 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 97016172 PQYFTYVRYRIBNR-WFASDCNBSA-N 341.404 1.285 0 40 EDAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCCN(C)C2CC2)CC1=O 65447206 HCRMMRNMSJYYJO-HOCLYGCPSA-N 329.444 1.807 0 40 EDAB COc1cccc(C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)c1 65542533 MFVMSXHUJQTYHE-CQSZACIVSA-N 340.445 1.629 0 40 EDAB O=C(CC[C@H]1NC(=O)NC1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 14171588 ORGRHUQLVLLJAF-LLVKDONJSA-N 345.355 1.655 0 40 EDAB Cc1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c(C)n1C1CC1 14122783 SSWSEYLNQZQYIQ-UHFFFAOYSA-N 344.459 1.476 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(C)n1Cc1ccccc1 6531801 ZNMULRGJNXRKSS-JTQLQIEISA-N 333.417 1.571 0 40 EDAB O=C(Cn1nnc2ccccc21)NCCCn1cnc2ccccc21 14322893 RCFHBBCNOKRKLK-UHFFFAOYSA-N 334.383 1.988 0 40 EDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 6672036 HELXYPGMKVRZNH-MNOVXSKESA-N 340.426 1.510 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1 6628042 YXIBIMBKFVXZKM-UHFFFAOYSA-N 347.396 1.288 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc(OCC)c(NC(C)=O)c1 4813840 KCFKXVNDAHKWPA-UHFFFAOYSA-N 344.433 1.749 0 40 EDAB O=C(COC(=O)C1=COCCO1)Nc1ccc(OC(F)F)cc1 4871211 MDHBVELBIQJONK-UHFFFAOYSA-N 329.255 1.658 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)Cc2cn3ccsc3n2)C1 5988254 HXFNUWNTKCFGFN-RYUDHWBXSA-N 335.429 1.986 0 40 EDAB CSc1ccc(O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 9154514 KPWJMDXZWPGSKQ-MNOVXSKESA-N 329.443 1.479 0 40 EDAB COc1ccc(NC(=O)C(=O)NCc2c(C)cc(C)nc2OC)cn1 67599414 VGWVNFFIYXXDTR-UHFFFAOYSA-N 344.371 1.366 0 40 EDAB CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@@H]1COC(=O)N1 71315122 AAXJAPIWSBOCPO-HNNXBMFYSA-N 340.383 1.443 0 40 EDAB O=C(C1CCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7542914 WYMBUCYYXGYZLB-UHFFFAOYSA-N 348.468 1.808 0 40 EDAB O=C(c1ccsc1)N1CCN(C(=O)c2ccc3nccn3c2)CC1 68290712 UXIYBWLLNLMZFC-UHFFFAOYSA-N 340.408 1.994 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1CC 7778699 NESXWYFQSJYSIW-SECBINFHSA-N 337.405 1.884 0 40 EDAB CCn1cnnc1C1CCN(C(=O)c2cccnc2N(C)C)CC1 70003937 XNGSSDFLUKHKBE-UHFFFAOYSA-N 328.420 1.779 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCc3nnc(C)n3C2)cc1 96000639 JHVNCAVUGQPDSV-GFCCVEGCSA-N 336.417 1.279 0 40 EDAB O=C(COc1ccc2c(c1)OCO2)NC[C@H]1COc2ccccc2O1 8345200 KRCNYKOIJCZEIR-ZDUSSCGKSA-N 343.335 1.750 0 40 EDAB Cc1cc(NC(=O)CCN2C(=O)N[C@](C)(c3ccsc3)C2=O)no1 69432289 URJKNOHZPQSFDE-OAHLLOKOSA-N 348.384 1.840 0 40 EDAB O=C(Nc1ccccn1)c1cccc(CN2CCS(=O)(=O)CC2)c1 69492815 YAPTYDBBGYZOAS-UHFFFAOYSA-N 345.424 1.564 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(S(C)(=O)=O)cc2)cn1 71796872 HLDTYEILHAHLCO-OAHLLOKOSA-N 333.413 1.801 0 40 EDAB COC(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3ccncc3)n[nH]2)C1 71856819 RIGVXBLBPRWGNA-GFCCVEGCSA-N 329.360 1.889 0 40 EDAB O=C(C1CCN(Cc2nc3ccccc3o2)CC1)N1CCOCC1 71862894 CQEQAUZSBWLTBN-UHFFFAOYSA-N 329.400 1.899 0 40 EDAB CC1(C)CN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1c1ccccc1 71823386 SHRZIMRBMFLPFZ-INIZCTEOSA-N 336.457 1.327 0 40 EDAB NC(=O)[C@H](NC(=O)NCCOc1ccc(F)c(F)c1)c1ccccc1 71882539 VHQCWCMTAYPALR-OAHLLOKOSA-N 349.337 1.869 0 40 EDAB CS(=O)(=O)c1n[nH]c(NC(=O)c2ccc(-n3cccc3)c(F)c2)n1 71856813 ZTEMZLBEJAWXQK-UHFFFAOYSA-N 349.347 1.390 0 40 EDAB COc1cccc(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)c1 19931698 CKSSTGAMOIRFMW-HNNXBMFYSA-N 335.448 1.216 0 40 EDAB COc1ccc(NC(=O)C[S@@](=O)Cc2cccc(C(N)=O)c2)cc1 83947549 PHUCWDAYIVTOMM-XMMPIXPASA-N 346.408 1.682 0 40 EDAB O=C(N[C@@H]1CCCc2c1cnn2CCO)c1nc2ccccc2[nH]1 95395130 NZKGADPUSVZFBK-GFCCVEGCSA-N 325.372 1.559 0 40 EDAB O=C(CCc1nc(C2CC2)no1)NCC(=O)OCc1ccccc1 95399692 LZDGHGDUYFMTPI-UHFFFAOYSA-N 329.356 1.739 0 40 EDAB Nc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]2CO)cc1Cl 95432945 ORTWGDGNCXBXPU-SSDOTTSWSA-N 325.217 1.721 0 40 EDAB O=C(N[C@@H](CO)Cc1ccccc1)N[C@@H]1CCN(c2ccccn2)C1 95435554 OYYFCXWQMCBOEI-IAGOWNOFSA-N 340.427 1.563 0 40 EDAB CC(C)(C)c1ccc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 95997865 HZSZNXMXIZZBID-UHFFFAOYSA-N 327.388 1.372 0 40 EDAB Cc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1O 89433646 IKEWRGKHDICXCM-INIZCTEOSA-N 332.400 1.093 0 40 EDAB Cc1oc(C(=O)N(C)Cc2ccc(F)cc2F)cc1S(N)(=O)=O 89536590 AJBCZUJGMKNFAD-UHFFFAOYSA-N 344.339 1.786 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75117688 CZLPGLBRBGWBEU-AWEZNQCLSA-N 341.411 1.492 0 40 EDAB Cc1nnc2ccc(N3CC[C@H](OCCN4CCCCC4)C3)nn12 89740925 GHPWGVFBKBADTP-HNNXBMFYSA-N 330.436 1.514 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCC[C@H]1c1c(C)nn(C)c1Cl 75602375 IGEIJJKAMJKTJE-NSHDSACASA-N 347.868 1.870 0 40 EDAB NC(=O)c1cccc(CNC(=O)[C@@H]2CCN(Cc3ccccc3)C2)c1 552929473 KMLXPKCHADULLI-GOSISDBHSA-N 337.423 1.924 0 40 EDAB COc1ccc(C(=O)N[C@@H]2C(=O)NN[C@@H]2c2ccc(OC)cc2)cc1 409057229 JFDNXFYPCQXACF-CVEARBPZSA-N 341.367 1.178 0 40 EDAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 32611145 CNMFOSXPRAMORZ-BDAKNGLRSA-N 339.339 1.075 0 40 EDAB Cc1sc2ncn3c(=O)n(CC(=O)N4CCCCC4)nc3c2c1C 72335221 FOZGCYIFBHDOPB-UHFFFAOYSA-N 345.428 1.735 0 40 EDAB O=C(NC1CCCC1)c1cc(S(=O)(=O)NC2CCCC2)c[nH]1 73325464 BNPLAYDWQXOHKM-UHFFFAOYSA-N 325.434 1.908 0 40 EDAB COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3C)c(OC)c2c1OCO2 66091460 WVZDEXFBVSSSOC-SECBINFHSA-N 345.355 1.949 0 40 EDAB CC[C@H](C)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)O 217663091 LZJNNPABPAVNCD-QWRGUYRKSA-N 344.433 1.908 0 40 EDAB O=S(=O)(NCC1CCN(c2ccncc2)CC1)c1cccnc1 70922032 BHQZUAIVEOKRPH-UHFFFAOYSA-N 332.429 1.672 0 40 EDAB Cc1ccc(CN(CC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 224859787 PNEIXVSGZLHMHV-HNNXBMFYSA-N 340.445 1.052 0 40 EDAB COc1ccccc1-n1ncc(C(=O)N(C)Cc2ncon2)c1C 225608645 UPHNKISUEQOWSP-UHFFFAOYSA-N 327.344 1.845 0 40 EDAB CCc1ccccc1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 223295617 CVIKKDNEKHNCHX-UHFFFAOYSA-N 334.397 1.914 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)C(C)C)ccc1OC 225209596 GIEQNUWRURFVRO-LLVKDONJSA-N 328.434 1.768 0 40 EDAB CN1C(=O)CC[C@]12CCCN(S(=O)(=O)c1cccs1)CC2 96217656 QXIWIYPXCFXIHP-AWEZNQCLSA-N 328.459 1.914 0 40 EDAB Cc1cnc(C(=O)N2CCn3c(CN(C)C(C)C)cnc3C2)cn1 96201063 ZAIPSWUTKYXOBS-UHFFFAOYSA-N 328.420 1.478 0 40 EDAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cn1 95473932 ZCPCBKQOMRCKNP-SECBINFHSA-N 342.334 1.427 0 40 EDAB O[C@]1(c2cnn[nH]2)CCCN(Cc2nccn2CC(F)(F)F)C1 583617413 IZLIOKILGAZOBL-GFCCVEGCSA-N 330.314 1.047 0 40 EDAB CN1C(=O)C[C@@H](C(=O)N(CC(=O)O)C2CCOCC2)c2ccccc21 583650637 VZADPEWXKPOTFK-CQSZACIVSA-N 346.383 1.229 0 40 EDAB Cn1cc([C@@H]2CC(=O)NC23CCN(C(=O)c2cccnc2)CC3)cn1 96199795 BBMMEHAHLVIXKX-HNNXBMFYSA-N 339.399 1.094 0 40 EDAB Cc1noc(CN2CCN(C(=O)c3cccnc3NC(C)C)CC2)n1 96436283 UROIKDVPQPJFFU-UHFFFAOYSA-N 344.419 1.551 0 40 EDAB C[C@@H](N1CCN(C(=O)NCCOc2cccnc2)CC1)C(F)(F)F 96455079 QRAKVMOBBUJCDE-GFCCVEGCSA-N 346.353 1.738 0 40 EDAB CCn1nc(C)c2nnn(CC(=O)Nc3ccccc3F)c(=O)c21 96182366 QLNLDVWAQOLUAU-UHFFFAOYSA-N 330.323 1.094 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)c1ccc(F)cc1 96296111 JZRPKUUZRMPDHF-ZACQAIPSSA-N 336.407 1.606 0 40 EDAB biogenic,in-vitro CN1CCN(Cc2cnc3n2CCN(Cc2cccnc2)CC3)CC1 96196926 YRNIBOIUBANRLO-UHFFFAOYSA-N 340.475 1.084 0 40 EDAB CCS(=O)(=O)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 96186752 NCQKZGGWGMRXBZ-ILXRZTDVSA-N 326.418 1.432 0 40 EDAB C[C@@H](CNC(=O)C(=O)Nc1cccc(-c2cnco2)c1)N(C)C1CC1 96410762 IVZZFZIAYFNITL-LBPRGKRZSA-N 342.399 1.879 0 40 EDAB O=C(c1ccc[nH]1)N1CCC2(CC1)COCCN(c1ncccn1)C2 96078263 GKXJYBJBXWWFCL-UHFFFAOYSA-N 341.415 1.564 0 40 EDAB O=C(c1ccsc1)N1CCOC[C@]2(CC[C@@H](Cn3cncn3)O2)C1 96063450 RNACGDCGEBBXHG-HOCLYGCPSA-N 348.428 1.430 0 40 EDAB O[C@H]1C[C@H](c2cccc(F)c2)N(c2cc(N3CCOCC3)ncn2)C1 582800958 GEJWZTIMRXCEQQ-JKSUJKDBSA-N 344.390 1.765 0 40 EDAB COc1ccc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CCCO3)C2)cc1 96208544 YLOAUBKYKDGYPD-APWZRJJASA-N 346.427 1.698 0 40 EDAB COc1cc(N2CC3(C[C@@H](OCC4CCOCC4)CCO3)C2)ncn1 247885591 KVCZPYZGXNQGNQ-HNNXBMFYSA-N 349.431 1.666 0 40 EDAB O=S1(=O)CC[C@@H](NC(=S)NCCc2c[nH]c3ccccc23)C1 244536482 ZWCLLMLJTLXJSP-GFCCVEGCSA-N 337.470 1.362 0 40 EDAB CN(C)c1cc(N2CC3(C[C@@H](Oc4cccnc4)CCO3)C2)ncn1 248143191 UVJXBYQKNDIFEG-AWEZNQCLSA-N 341.415 1.754 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccc(Cl)cc2F)C[C@H]1O)c1c[nH]cn1 257284827 PEMMTVPEVMFMBI-ZIAGYGMSSA-N 338.770 1.177 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)Cc2c(C)noc2C)n1 257221668 DQAZXZQBWOJAIB-CQSZACIVSA-N 345.403 1.574 0 40 EDAB CNC(=O)c1cccc([C@H]2CNCCN2C(=O)c2c(C)noc2C)c1 257297712 RIOFXIYOSOLMFL-OAHLLOKOSA-N 342.399 1.438 0 40 EDAB COCCOc1ccc(CC(=O)N[C@@H](CO)c2cccnc2)cc1 585088279 SMCGIYLLXQHKBY-KRWDZBQOSA-N 330.384 1.499 0 40 EDAB CCn1cnnc1[C@@H]1CN(c2cccc(-n3ccnc3C)n2)CCO1 585079906 VPRATHKJEDSVTN-AWEZNQCLSA-N 339.403 1.765 0 40 EDAB CN1CCC[C@H](C(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 253369286 APOTXYFRFZVBNI-OALUTQOASA-N 345.487 1.601 0 40 EDAB C[C@@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1CC1CC1 253590749 FENZLCVJURDGEB-CQSZACIVSA-N 339.443 1.924 0 40 EDAB COCC(=O)N1CCCC[C@@H]1c1nc(C)cc(-c2ccnn2C)n1 257286786 PNANYQAUGNJTMB-OAHLLOKOSA-N 329.404 1.886 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(c3cc(N4CCCC4)ncn3)CCO2)n1 277458599 NVGVMWZUBITPPN-MRXNPFEDSA-N 342.447 1.796 0 40 EDAB CC(=O)N1CCN(C(=O)CCNc2ccnc(C(F)(F)F)c2)CC1 283964630 YZOWUZFZRMUSCN-UHFFFAOYSA-N 344.337 1.593 0 40 EDAB CCOC(=O)c1nccc(N2CCC[C@@H](NCC(F)(F)F)C2)n1 1615585930 OAUQSJDMAJICNO-SNVBAGLBSA-N 332.326 1.774 0 40 EDAB NC(=O)c1cccc(CCNC(=O)[C@H]2NCCOc3ccccc32)c1 1615614357 GILYGHPWMIHBKS-KRWDZBQOSA-N 339.395 1.168 0 40 EDAB O=C(N[C@@H]1CCOC[C@H]1N1CCCC1)c1ccc(OC(F)F)cn1 1616032443 OLOUUPMBQQQJRZ-TZMCWYRMSA-N 341.358 1.666 0 40 EDAB COC(=O)[C@@H]1CCc2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC1 601043579 DPCPODOGOZXGLX-LLVKDONJSA-N 349.412 1.474 0 40 EDAB O=C(Cn1cnc(C(F)F)cc1=O)N1CCO[C@H]2CCCC[C@@H]21 291556241 BQIHFOYFEAXPJC-RYUDHWBXSA-N 327.331 1.351 0 40 EDAB Cc1ccc2nnc(CNS(=O)(=O)CCC3CCOCC3)n2c1 585141919 IMSLLSOHMAPUHX-UHFFFAOYSA-N 338.433 1.274 0 40 EDAB CCN(CC)S(=O)(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1 585141368 UNXFDMMRHMLAND-UHFFFAOYSA-N 347.462 1.553 0 40 EDAB O=C(CCCn1cncn1)N1CC[C@@](O)(COc2cccc(F)c2)C1 585274035 YXPCTDSHIFGZJB-KRWDZBQOSA-N 348.378 1.240 0 40 EDAB O=C(NCCN1CCCCC1)NCc1ccc(N2CCCC2)nc1 45195594 IJWACHVDVOTQRR-UHFFFAOYSA-N 331.464 1.967 0 40 EDAB Cc1nn(CC(=O)N[C@H]2CCN3CCCC[C@H]23)c(=O)c2ccccc12 44941791 CJCVENZHJDNNFR-DLBZAZTESA-N 340.427 1.448 0 40 EDAB CN(C)CCN(Cc1ccccc1F)C(=O)CNC(=O)NC1CC1 58378419 XTYXRBKADCZOQX-UHFFFAOYSA-N 336.411 1.178 0 40 EDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)NCc1ccncc1 58332472 AWRBENFOQLVIMA-UHFFFAOYSA-N 349.394 1.784 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)NCC(=O)Nc1nccs1)C2 58329321 JBGBBKUTWHMUSC-LLVKDONJSA-N 347.396 1.458 0 40 EDAB Oc1cc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)nc(O)n1 1565520891 ZDOSGDXWSZXVSA-UHFFFAOYSA-N 342.281 1.023 0 40 EDAB O=c1onc(-c2cccnc2)n1Cc1cc(=O)n2ccsc2n1 84425269 ZYVUMTSIHXKEPI-UHFFFAOYSA-N 327.325 1.016 0 40 EDAB O=C(CCOC1CCOCC1)NCc1ccc(C(=O)O)c(C2CC2)n1 517376584 BCLBHVOFAISIDM-UHFFFAOYSA-N 348.399 1.859 0 40 EDAB CCNC(=O)CC(=O)NCCCc1nnc(SC)n1CC(C)C 96003497 XJVBYNNAVNKGOP-UHFFFAOYSA-N 341.481 1.231 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2nccn2)cc1F 670321629 REYNGWDSCVNUSV-LLVKDONJSA-N 340.380 1.279 0 40 EDAB O=C1CNC(=O)N1[C@H]1CCN(C(=O)C2(c3cccs3)CCCC2)C1 585331569 PGTZLVBAOANYJW-LBPRGKRZSA-N 347.440 1.713 0 40 EDAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)nn1C 12147721 IFYYFDPWAUXDDG-VIFPVBQESA-N 336.373 1.249 0 40 EDAB Cc1nn(C)c(C)c1C(=O)C(=O)OCc1cc(=O)n2ccsc2n1 13007613 WBPDMFMZPAUXFP-UHFFFAOYSA-N 346.368 1.032 0 40 EDAB Cc1ccccc1N[C@H]1SC(=O)N(CCN2C(=O)CCC2=O)C1=O 14904403 HJJOTQGSCRFERB-AWEZNQCLSA-N 347.396 1.577 0 40 EDAB COc1cc(C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)nc(OC)n1 19496544 QZSUYBZWHUBGHZ-GFCCVEGCSA-N 336.436 1.734 0 40 EDAB CNc1nc([C@@H]2CCCCN2C(=O)COC)nc2c1CN(C)CC2 19711568 NAYRKHIDWOAJIP-AWEZNQCLSA-N 333.436 1.206 0 40 EDAB CC(C)(CNC(=O)Cn1nnc(-c2ccccc2)n1)N1CCCCC1 19717873 JOCHFDPFMLQGQU-UHFFFAOYSA-N 342.447 1.721 0 40 EDAB CCN(CC)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19824025 YKZSIQGGYFIBOB-UHFFFAOYSA-N 333.432 1.401 0 40 EDAB NC(=O)c1ccc(NC(=O)CCNC(=O)/C=C/c2ccccc2)cc1 8316275 MGNSFTFTFZZJOE-IZZDOVSWSA-N 337.379 1.944 0 40 EDAB Cc1cccc(OC[C@@]2(O)COCCN(Cc3cnn(C)c3)C2)c1 643914174 NJDRAAPTEILDPX-SFHVURJKSA-N 331.416 1.371 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)N1CCCC1)Cc1cccc(Cl)c1 548533759 ISCQDOJMFJSHAB-GFCCVEGCSA-N 346.836 1.514 0 40 EDAB O=C(CN1CCOC1=O)N1CCC(Oc2ccncc2Cl)CC1 390826316 IASZZEOQJJNVTE-UHFFFAOYSA-N 339.779 1.557 0 40 EDAB O=C1[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C(=O)N1Cc1ccccc1 1888856664 SLZZTLVSVPGJLZ-HZPDHXFCSA-N 348.406 1.975 0 40 EDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)[C@H]5CC5(C)C)C[C@H]4C3)ncnc21 1888865747 SAZYUTGGTAVUIA-JHJVBQTASA-N 340.431 1.304 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(Cc2cc(F)ccc2F)CC1 1888906302 VNUNYAPQAVABPC-CYBMUJFWSA-N 325.403 1.996 0 40 EDAB Cc1oncc1C(=O)N1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O 1888987365 YWODKSQDSSULNK-UHFFFAOYSA-N 335.360 1.735 0 40 EDAB Cc1csc2c(N3CCO[C@H](C(=O)N4CCOCC4)C3)ncnc12 1889119519 HPRZPWPFKGNKCC-LBPRGKRZSA-N 348.428 1.064 0 40 EDAB O=C(NC1CN(c2ncnc3ccsc23)C1)c1ccncc1F 1776009572 JKIQRIMCJGPXHT-UHFFFAOYSA-N 329.360 1.844 0 40 EDAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)[C@H]1CCCO1 238945712 WKGZLVMAVYNQEB-GFCCVEGCSA-N 329.385 1.648 0 40 EDAB CNC(=O)C[C@@H]1OC[C@H]2CN(Cc3cnc(OC)c(C)c3)CC[C@@H]12 1565543527 QBKIDWMOTLDYAL-OAGGEKHMSA-N 333.432 1.372 0 40 EDAB CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1cc[nH]n1)C2 1565554207 UCWACSFMLOAPQU-UHFFFAOYSA-N 344.419 1.175 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)[C@H]4[C@H]5COC[C@H]54)C[C@H]3C2)cs1 1565542787 RWYJBOHVYMJNSV-LKAFINOVSA-N 333.457 1.234 0 40 EDAB COC(=O)c1ccccc1NCN1C(=O)c2ccccc2S1(=O)=O 27023674 ZTHLMNWFDGAMCL-UHFFFAOYSA-N 346.364 1.687 0 40 EDAB COc1ccc(CCC(=O)N2CC(n3ccnn3)C2)c(OC)c1OC 225692112 JZUNTCUWVRVSIB-UHFFFAOYSA-N 346.387 1.320 0 40 EDAB COc1ccc(S(=O)(=O)NCCn2nc(C)cc2C)cc1F 44159220 CCSDVZPCGAEGIW-UHFFFAOYSA-N 327.381 1.626 0 40 EDAB CCOc1ccc([C@@H]2CCCN2C(=O)CN(C)S(C)(=O)=O)cc1 46167771 FYWCRECWGYEGJU-HNNXBMFYSA-N 340.445 1.640 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3ncsc3c2)cc1 11866159 IDNJWXUJILOKGZ-UHFFFAOYSA-N 347.421 1.874 0 40 EDAB Cc1ccc(S(=O)(=O)Nn2c(C)nnc2-n2nc(C)cc2C)cc1 277744 HJFGPIPJKBQTIS-UHFFFAOYSA-N 346.416 1.630 0 40 EDAB O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc2ccccc2n1 405924 SVLWIPPGQKBCSI-VZAMPYOESA-N 333.347 1.687 0 40 EDAB O=C1NC(C2CC2)(C2CC2)C(=O)N1CCS(=O)(=O)c1ccccc1 60350353 HPJYWPONUMWPRJ-UHFFFAOYSA-N 348.424 1.571 0 40 EDAB C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H](c2ccccc2)C1 69621239 ZJSYWFIWGZOSAO-ZBFHGGJFSA-N 329.444 1.601 0 40 EDAB Cc1ccc([C@@H](O)CN2CCN(Cc3cnn(C)c3)CC2)cc1C 69624247 FBJZZDHTKXYCBF-IBGZPJMESA-N 328.460 1.888 0 40 EDAB CCCCc1nc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)no1 76059561 ADHRGJAFOLMZAD-LLVKDONJSA-N 332.408 1.614 0 40 EDAB C[C@H]1C[C@@H](C)N(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 76019668 IJVHGECYYGHFHP-WDEREUQCSA-N 331.459 1.728 0 40 EDAB C[C@@H]1C[C@H](Nc2nc3c(cnn3C)c(=O)[nH]2)C(=O)N1c1ccccc1 76063736 ZDCDAIIRDMCXOL-MFKMUULPSA-N 338.371 1.263 0 40 EDAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1c1ncnc2c1cnn2C 78787874 XBRSXNZAHSYFSX-UONOGXRCSA-N 328.420 1.733 0 40 EDAB C[C@H]1CN(C(=O)CCn2cnc3sccc3c2=O)C[C@@H]1N(C)C 78895212 QHKGHXPGDBQTBR-AAEUAGOBSA-N 334.445 1.257 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1Br 21670525 LYOZPKGGFICXNW-UHFFFAOYSA-N 346.206 1.992 0 40 EDAB O=C(Cn1cccnc1=O)N1CCN(c2cccc(Cl)c2)CC1 32978263 YCPONSHUPUWWBH-UHFFFAOYSA-N 332.791 1.246 0 40 EDAB NCCCC(=O)NCCCCCCCCCCNC(=O)CCCN 4974910 HYJIZUYAOOIALD-UHFFFAOYSA-N 342.528 1.817 0 40 EDAB O=C(COC(=O)c1ccc(O)cc1O)Nc1ccc2c(c1)OCCO2 6080814 CXNCMMWVVOGSLC-UHFFFAOYSA-N 345.307 1.665 0 40 EDAB CC(C)c1ccc(-c2nnn(CC(=O)NC[C@@H]3CCCO3)n2)cc1 7544377 HSLWIGJEJKVYLC-HNNXBMFYSA-N 329.404 1.759 0 40 EDAB Cc1cc(C)n2ncc(C(=O)[C@H]3C(=O)N(C)N=C3c3ccncc3)c2n1 103263922 PSOIDAMWZRQPQH-AWEZNQCLSA-N 348.366 1.416 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)N3CCc4nc[nH]c4C3)ccc12 12296920 COEZUUHBUIVGBG-UHFFFAOYSA-N 339.351 1.788 0 40 EDAB biogenic Cc1nnc([C@@H]2Cc3ccccc3CN2S(=O)(=O)c2c[nH]cn2)o1 97032350 ARIQLBMZCRYMDR-ZDUSSCGKSA-N 345.384 1.589 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NCCN(C)c2ccccc2)c1 53643307 LHIZWDGJEPCEDZ-UHFFFAOYSA-N 347.440 1.461 0 40 EDAB CC1(C)Cc2cccc(OCC(=O)NCCN3CCOCC3)c2O1 22420393 BHYLBNVODCZFSF-UHFFFAOYSA-N 334.416 1.227 0 40 EDAB O=S(=O)(CCCc1ccccc1Br)c1nc[nH]n1 97085299 OJBXWUGZCJBEFY-UHFFFAOYSA-N 330.207 1.974 0 40 EDAB Cc1cccc(NC(=O)CCNC(=O)c2cc3c(cc2O)OCO3)n1 69705162 SHGRTSCMDDFYLC-UHFFFAOYSA-N 343.339 1.583 0 40 EDAB CCc1c(C(=O)N2CC[C@H](C(N)=O)C2)cnn1-c1ccc(F)cc1 53894240 LRRYCVROBIQGNK-NSHDSACASA-N 330.363 1.521 0 40 EDAB Cc1nnc(SCc2nc(-c3ccc(F)cc3)no2)n(N)c1=O 23221912 STBIWKSIVDKOPF-UHFFFAOYSA-N 334.336 1.142 0 40 EDAB CC(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2F)C1=O 47359161 WTMIPIXZXVVTNE-OAHLLOKOSA-N 325.315 1.256 0 40 EDAB CCCCS(=O)(=O)NCc1ccccc1S(=O)(=O)N(C)C 53645660 MQPSWOWKWCMCDB-UHFFFAOYSA-N 334.463 1.156 0 40 EDAB Cn1nccc1CNC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 97049201 MWBPDRQJSWSZRJ-CQSZACIVSA-N 343.435 1.785 0 40 EDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccnc1N1CCCC1 23819428 MSCQQYCNWJPGLM-UHFFFAOYSA-N 335.371 1.910 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(F)cc1 102590068 IDVDEANEZAKCMX-JDEPPNLYSA-N 340.354 1.817 0 40 EDAB O=C(OCc1nc2ccccc2n1C(F)F)[C@H]1CCS(=O)(=O)C1 55543471 LKWLKJFHBZWXJL-VIFPVBQESA-N 344.339 1.909 0 40 EDAB NC(=O)C1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)CC1 25133718 UMODSXPJURJMNH-OWOJBTEDSA-N 336.775 1.806 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C[C@@H](O)COCc3cccs3)CCO2)n1 107141534 MLEREEKTUJQTEG-OCCSQVGLSA-N 338.433 1.126 0 40 EDAB Cc1csc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)n1 25525372 JPOVPVOEJKUARZ-UHFFFAOYSA-N 344.404 1.139 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(F)c(F)c1 35306355 BZMFFPHGQKXUIT-INIZCTEOSA-N 345.349 1.816 0 40 EDAB C[C@H](NC(=O)COCCOc1ccccc1)C(=O)N1CCCCC1 57226482 WJIGIAHVMPANNE-HNNXBMFYSA-N 334.416 1.599 0 40 EDAB O=S(=O)(NCC1(N2CCOCC2)CCCCC1)N1CCCCC1 22842791 TWUXJSGKVBQEPR-UHFFFAOYSA-N 345.509 1.342 0 40 EDAB COC(=O)C(C)(C)NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 44489007 HYYNYMSZEMPFDG-UHFFFAOYSA-N 349.362 1.372 0 40 EDAB Cc1ccc(N2CC[C@H]3OCCC[C@@]3(COCC(=O)N(C)C)C2)nn1 107711888 PBTORDMCDVDKKN-QAPCUYQASA-N 348.447 1.265 0 40 EDAB Cc1cccc2nc(C(=O)N3CCCN(c4cccnn4)CC3)cn12 69948833 PANGVDDJMYIMFZ-UHFFFAOYSA-N 336.399 1.785 0 40 EDAB Cc1ccc(C(=O)N2CCN(C[C@@H](O)CN3CCCC3)CC2)cc1F 58066782 OONFXNGXYBQHNH-KRWDZBQOSA-N 349.450 1.349 0 40 EDAB Cc1ccc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1Cl 58159253 LSLWSPYBKRKCLF-UHFFFAOYSA-N 328.781 1.131 0 40 EDAB COc1ccc(CCC(=O)N2CCN(Cc3nc(C)no3)CC2)cc1 58178438 URTYZTOLVGBNKM-UHFFFAOYSA-N 344.415 1.664 0 40 EDAB Cc1cnn(CCNCC(=O)NCCOc2ccc(Cl)cc2)c1 72253090 VFLUHCSQMSHKCF-UHFFFAOYSA-N 336.823 1.630 0 40 EDAB O=C(/C=C/c1cccnc1)NCC(=O)Nc1ccc2oc(=O)[nH]c2c1 58283377 CYCPDNBRTOEDCB-ZZXKWVIFSA-N 338.323 1.284 0 40 EDAB CS(=O)(=O)CCC(=O)NC1(c2cccc(Br)c2)CC1 72293375 LQWANLQNQQVUOQ-UHFFFAOYSA-N 346.246 1.989 0 40 EDAB O=C(NCC(=O)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1)c1ccccn1 102695805 TYAFKEFZECOSKW-INMHGKMJSA-N 342.443 1.144 0 40 EDAB Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCOC2)N2CCOCC2)o1 48236191 YQCRDXMSRTYDIR-GJZGRUSLSA-N 337.420 1.297 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 44969658 MTOVVAZQFPMHIK-NEPJUHHUSA-N 333.358 1.455 0 40 EDAB O=C(NCCCN1CCOCC1)c1ccn(COc2ccccc2)n1 27971810 FKDIMHTVRDYOMU-UHFFFAOYSA-N 344.415 1.372 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)Nc3cccc(C(=O)O)c3)cc12 58342867 YNGVECNTSQGBSL-UHFFFAOYSA-N 346.368 1.776 0 40 EDAB CN(Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 58380656 VCVWGLHVEDSOIQ-INIZCTEOSA-N 336.457 1.542 0 40 EDAB C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(CC(F)(F)F)CC1 45019332 AXYNYRNMEOYFLW-NSHDSACASA-N 335.370 1.388 0 40 EDAB Cc1nc(CN2CCN(C(=O)CCNc3ncccn3)CC2)cs1 45055379 LBHCHGYBQYLFPX-UHFFFAOYSA-N 346.460 1.388 0 40 EDAB CC(C)CNC(=O)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F 28273305 UHPPYDSUACGAOS-UHFFFAOYSA-N 329.282 1.773 0 40 EDAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)cnn1C 48332199 SYZUMOOZRRSOAC-HNNXBMFYSA-N 347.488 1.509 0 40 EDAB COc1ccc(Cl)cc1COC(=O)CN1CCS(=O)(=O)CC1 45895625 OCFIBJHPSPIJPL-UHFFFAOYSA-N 347.820 1.122 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3cccnc3)C[C@@H]1C2 306129089 HUCWTQJRKZOIOY-GJZGRUSLSA-N 340.431 1.116 0 40 EDAB O=C(O[C@H]1CCOC1=O)c1cccc(I)c1 3442544 OXZJPKDDXXJWGX-VIFPVBQESA-N 332.093 1.764 0 40 EDAB Cc1cc(C)n2cc(CN3CCN(C[C@@H](O)C(C)(C)C)CC3)nc2n1 69873268 VMFJLDJMZWQQGX-QGZVFWFLSA-N 345.491 1.871 0 40 EDAB Cc1ccc(NC2CCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)CC2)nn1 69896930 QHKXXZUBBRXDRI-ZBFHGGJFSA-N 348.447 1.772 0 40 EDAB CCCn1c(=O)n(CCC(=O)NC2=NCCS2)c2ccccc21 8777165 PGOGKMLAHDLAJO-UHFFFAOYSA-N 332.429 1.822 0 40 EDAB COc1c(C)cnc(CNC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1C 69933596 JEZLHWRTRXAELD-LLVKDONJSA-N 343.449 1.282 0 40 EDAB Cc1cc(=O)oc2cc(NC(=O)c3nn(C)cc3C(=O)O)ccc12 49967673 DYUAZEJPCKCAKB-UHFFFAOYSA-N 327.296 1.785 0 40 EDAB CN(C)CC1CCN(C(=O)NCc2nncn2-c2ccccc2)CC1 65443938 AOWLHHUOHFVCRO-UHFFFAOYSA-N 342.447 1.751 0 40 EDAB O=C([C@H]1COCCO1)N1CCN(Cc2cccc3ccccc23)CC1 65491113 OWBHRTDXEMXNBT-LJQANCHMSA-N 340.423 1.899 0 40 EDAB CCOCCCC(=O)N(CCCN1CCOCC1)Cc1ccncc1 65493932 CDGHNVSGOWKREA-UHFFFAOYSA-N 349.475 1.949 0 40 EDAB CCn1cc(NC(=O)NC[C@@H](O)c2cc(OC)ccc2OC)cn1 65423654 NYJWHORMMLJGFV-CQSZACIVSA-N 334.376 1.775 0 40 EDAB Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc1 65552144 GRKYAIJFEYJEPO-AWEZNQCLSA-N 340.470 1.681 0 40 EDAB O=C1CCCN1CCCN1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 65534332 ORNWHRCEJDQCJQ-UHFFFAOYSA-N 338.839 1.438 0 40 EDAB O=S(=O)(NCCN1CCCC1)c1ccc(Br)cc1 4548279 DIYRIYJMMLUTQP-UHFFFAOYSA-N 333.251 1.823 0 40 EDAB CNS(=O)(=O)Cc1ccccc1CNc1ncnc2c1cnn2C 14279886 ZNWKBQBOIVEBPU-UHFFFAOYSA-N 346.416 1.025 0 40 EDAB COC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 408604830 ILZQHMFRQAARCP-NSHDSACASA-N 348.852 1.566 0 40 EDAB CN1CCN(C(=O)c2cccc(I)c2)CC1 6940401 YLTYKHFTKKZVJS-UHFFFAOYSA-N 330.169 1.679 0 40 EDAB CS(=O)(=O)NCCN1CCC(C(=O)Nc2cccc(F)c2)CC1 70011950 UZFRITFMHCEBLA-UHFFFAOYSA-N 343.424 1.025 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 25902495 MILTURKHPYJRFX-STQMWFEESA-N 340.445 1.544 0 40 EDAB Cc1noc([C@H](C)N2CCN(Cc3nnc(C4CC4)n3C)CC2)n1 69376375 JFRHMCGAZONVNG-NSHDSACASA-N 331.424 1.263 0 40 EDAB CCNC(=O)CCC(=O)NC[C@@H](Cc1ccccc1)C(=O)OCC 69350583 ZWXGYOZLKBJXEZ-OAHLLOKOSA-N 334.416 1.441 0 40 EDAB Cc1ccc(C)c(-n2nnnc2SCC(=O)NC[C@@H]2CCCO2)c1 8391426 OLDSXEYMYQYCTC-ZDUSSCGKSA-N 347.444 1.666 0 40 EDAB Cc1nc(COc2ccc(CN[C@H]3CCc4ncnn4C3)cc2)no1 69491648 JONSHWIIWHWOGI-AWEZNQCLSA-N 340.387 1.653 0 40 EDAB COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)CNC(=O)C1CC1 69414116 AIXYPYAOWDBXLC-UHFFFAOYSA-N 338.791 1.368 0 40 EDAB NS(=O)(=O)c1cnc(NC2CCN(CC3CCCC3)CC2)s1 69459379 WANDLNWLKHMHGG-UHFFFAOYSA-N 344.506 1.857 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)nc2)CC1 69417388 UFHHGCFJBUAMIX-UHFFFAOYSA-N 339.395 1.965 0 40 EDAB COCCn1nc(C)c(CNC(=O)CCCn2ccnc2C)c1C 69591206 GUEOCZMWSHAQAZ-UHFFFAOYSA-N 333.436 1.748 0 40 EDAB CN(CCNC(=O)N1CCN(C(=O)C2CCC2)CC1)c1ccccc1 71796302 BKKUDCHZSGBBEH-UHFFFAOYSA-N 344.459 1.777 0 40 EDAB CNS(=O)(=O)CC(=O)NCC1(c2ccc(F)cc2)CCCCC1 83600387 JOSKFLPYATYDBI-UHFFFAOYSA-N 342.436 1.693 0 40 EDAB c1csc(CN[C@@H]2CCc3nc(N4CCOCC4)ncc3C2)n1 306123461 ANXIBUDWFVBETR-CYBMUJFWSA-N 331.445 1.417 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@H]1Cn1cccn1 71866462 VHJIPMNFKXZHND-INIZCTEOSA-N 337.387 1.093 0 40 EDAB CCn1nc(C)cc1C(=O)NC[C@H](CO)Cc1ccc(OC)c(O)c1 83836800 PJIXKKZHBXGDBV-CQSZACIVSA-N 347.415 1.507 0 40 EDAB C[C@@H](NS(=O)(=O)c1cccs1)c1nnnn1-c1ccccc1 71909140 ZWRBORPQEWNDGK-SNVBAGLBSA-N 335.414 1.763 0 40 EDAB CC(C)c1nc(S(=O)(=O)Nc2cccc(S(C)(=O)=O)c2)c[nH]1 72301190 JRHVTWIOWBPNOI-UHFFFAOYSA-N 343.430 1.737 0 40 EDAB Cc1cc(NC(=O)c2ccccc2F)n([C@H]2CCS(=O)(=O)C2)n1 84102040 LZERSPSINDULKZ-NSHDSACASA-N 337.376 1.943 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)NCc3cc(F)cc(F)c3)C2=O)cn1 95398378 TYMYFLDULNLKCT-CQSZACIVSA-N 349.341 1.303 0 40 EDAB CCS[C@H]1CC[C@@H](NCc2cnc(N3CCN(C)CC3)nc2)C1 95416698 ZIUFRCGEGFNYNZ-CVEARBPZSA-N 335.521 1.992 0 40 EDAB O=C(NCCOc1cccc(Br)c1)[C@H]1CSCN1 95971070 QWZKZEIUPPNSIU-LLVKDONJSA-N 331.235 1.607 0 40 EDAB C[C@@H](O)c1cn(C2CN(C(=O)C3(c4ccc(F)cc4)CCC3)C2)nn1 95998105 KQDZLRLMZCPIOT-GFCCVEGCSA-N 344.390 1.976 0 40 EDAB COCc1ccccc1CNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 95948676 MQVSEJKPXLBACI-HOTGVXAUSA-N 344.411 1.624 0 40 EDAB CCS(=O)(=O)N1CCN(Cc2ccc(N3CCCC3)nc2)CC1 95982451 OMJPUQLWOXQROU-UHFFFAOYSA-N 338.477 1.149 0 40 EDAB COc1cccc(NC(=O)CNc2cc(C(N)=O)ccc2OC)c1 75138178 QWEZLNUQHPPNSQ-UHFFFAOYSA-N 329.356 1.853 0 40 EDAB Cn1ccc2ccc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc21 75142507 CNROUBDNFBBSFJ-CYBMUJFWSA-N 335.429 1.788 0 40 EDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1scnc1C1CC1 89600250 GIIREQSMRIVADX-UHFFFAOYSA-N 334.401 1.920 0 40 EDAB O=C([C@@H]1CCCN1C(=O)c1cccs1)N1CC[C@@]2(CCOC2)C1 89799917 DVXINYLRMNVQMI-SUMWQHHRSA-N 334.441 1.992 0 40 EDAB CCCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408602528 DNPSPBBCNAQTSV-JTQLQIEISA-N 348.852 1.932 0 40 EDAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(C(N)=O)o2)cc1 89942307 CVVZSBWQRSSZPZ-NSHDSACASA-N 343.383 1.837 0 40 EDAB COc1ccc(F)cc1CN1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1 89914266 MTWIFQZURLUVRK-ACJLOTCBSA-N 349.406 1.987 0 40 EDAB COc1nc(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)n[nH]1 179374036 ZPZQOAQZDZRVPM-ZDUSSCGKSA-N 331.376 1.043 0 40 EDAB Cc1cccc(CNC(=O)NCC2(N3CCOCC3)CCOCC2)c1 514779500 BJQSQKISYOEHPW-UHFFFAOYSA-N 347.459 1.676 0 40 EDAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1cn[nH]c1 43143029 VUZYCKGZDYAYEG-HNNXBMFYSA-N 333.367 1.744 0 40 EDAB CCOC(=O)c1csc(CNC(=O)c2cc(O)nc(C3CC3)n2)n1 519833489 NPRULSAHXMRHSD-UHFFFAOYSA-N 348.384 1.623 0 40 EDAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 35999510 BOLJWIFFLMICBP-CLWVCHIJSA-N 338.367 1.788 0 40 EDAB COC(=O)c1cc(C(=O)OC)c(C(=O)OC)c(N=O)c1C(=O)OC 3847090 ITTDULIXKPKIRP-UHFFFAOYSA-N 339.256 1.231 0 40 EDAB biogenic O=C(NCCOc1cc(N2CCOCC2)ncn1)Nc1ccccc1 35598378 PVYHVEJXMRKCFA-UHFFFAOYSA-N 343.387 1.514 0 40 EDAB COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 72243082 ZPPSTURTJROJBS-UHFFFAOYSA-N 335.385 1.593 0 40 EDAB CC(=O)N1CCC[C@H](Cc2ccc(NCCN3CCCC3=O)nn2)C1 72387079 AMVGBDVVHHINFF-OAHLLOKOSA-N 345.447 1.312 0 40 EDAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CN)C3)n2)n1 72360879 QJRZMWANPNDQKW-CQSZACIVSA-N 340.431 1.897 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2Cl)C1 78602859 OOVZUEQZFYEKGZ-GFCCVEGCSA-N 339.823 1.506 0 40 EDAB COCCNc1cc([C@H]2CN(C3CCOCC3)CCO2)nc(C)n1 72387738 MOZHCNHNUMCMML-MRXNPFEDSA-N 336.436 1.396 0 40 EDAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1C[C@@H](C)O[C@H](C)C1 34803607 BWBXWSUFAFGZAR-JHJVBQTASA-N 340.445 1.767 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1nccc(N2CCCC2)n1 224157021 PBZIDGJDZVQKBP-UHFFFAOYSA-N 337.405 1.160 0 40 EDAB Cc1csc(NC(=O)CN2CCC([C@H](O)c3nccn3C)CC2)n1 89925125 UXCPRKMNVVMCAF-AWEZNQCLSA-N 349.460 1.569 0 40 EDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)/C=C/c3ccco3)C2)n1 225398257 XCVNRYJXWDANTK-GJBLVYBDSA-N 328.372 1.829 0 40 EDAB COC[C@@]1(NC(=O)[C@H]2CCc3nn[nH]c3C2)COc2ccccc2C1 529959758 RLEWWWJMAUNRLN-KPZWWZAWSA-N 342.399 1.046 0 40 EDAB COc1ccccc1CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCCO1 223412477 CWUDFMHMQQDLOT-GJZGRUSLSA-N 332.400 1.481 0 40 EDAB COc1ccc([C@@H](CN(C)C)NS(=O)(=O)c2cccnc2)cc1 225454712 XJPUSSOVYLCEDF-MRXNPFEDSA-N 335.429 1.671 0 40 EDAB COc1ccc(OCc2cn(CC(=O)NC[C@@H]3CCCO3)nn2)cc1 227162865 SBJFLOSDLTVFCE-INIZCTEOSA-N 346.387 1.161 0 40 EDAB CCCC(=O)N1CCC[C@@H](c2nn(CCOC)c(=O)n2C2CC2)C1 77150231 LIDPRPGGFULMQL-CYBMUJFWSA-N 336.436 1.532 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)c2ccc3c(c2)OCO3)C1 225806933 OWFVZFLZAYIQLU-LBPRGKRZSA-N 343.339 1.507 0 40 EDAB CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)NC2CCC2)[C@H]1O 514288991 MQHLZNUMQUWXNO-OKZBNKHCSA-N 347.459 1.141 0 40 EDAB biogenic,in-vitro C[C@H](Nc1cc(N2CCOCC2)ncn1)[C@H](O)Cc1ccccc1 225482246 UOGRNLRWOFNCPD-GOEBONIOSA-N 328.416 1.717 0 40 EDAB O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(Cc3nccs3)C[C@H]21 96040760 RSNPJLPORLHCDV-UPJWGTAASA-N 345.428 1.266 0 40 EDAB CCn1cc(S(=O)(=O)N2C[C@H](c3cnn(C)c3)C(C)(C)C2)cn1 583650916 BNMZIIZXIBOUAO-CQSZACIVSA-N 337.449 1.451 0 40 EDAB CC(C)N1CCCC[C@@H]1C(=O)NCCC(=O)NCc1ccncc1 96421695 KCJRUFKHECFSFJ-MRXNPFEDSA-N 332.448 1.467 0 40 EDAB Cc1cccc(NC2CCN(CC(=O)NC[C@H]3CCCO3)CC2)n1 96483345 LYRIAIYDNPSXHS-MRXNPFEDSA-N 332.448 1.562 0 40 EDAB COCCC(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1 96188090 RMEZJHMBGMLODP-MRXNPFEDSA-N 344.415 1.490 0 40 EDAB COC[C@H]1CN(C(=O)COc2ccc(C)cc2)Cc2ncn(C)c21 96068616 FPDPJTSBGMYIIJ-CQSZACIVSA-N 329.400 1.880 0 40 EDAB O=S(=O)(CCNC1CC(c2ccc(F)cc2)C1)N1CCOCC1 97371366 RPRHBIVIBYFNHT-UHFFFAOYSA-N 342.436 1.323 0 40 EDAB Cc1cnc(N2CCc3ncc(CNC(=O)C4CCC4)n3CC2)nc1 96197064 QEMWDDBOLZHQLL-UHFFFAOYSA-N 340.431 1.461 0 40 EDAB C[C@H]1CCN(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)C1 580074840 KGPJTDURTOESTR-CFVMTHIKSA-N 338.429 1.373 0 40 EDAB CS(=O)(=O)N1CCc2c(NC(=O)N[C@H]3C[C@@H]4C[C@@H]4C3)cccc21 580067315 GCTJEOJLGZLREK-ZSBIGDGJSA-N 335.429 1.929 0 40 EDAB Cn1cc(CN2CCN(CC3CC3)c3ccccc32)c(=O)n(C)c1=O 97236469 FWRVRZOVYUSIBF-UHFFFAOYSA-N 340.427 1.321 0 40 EDAB CCC(C)(C)[C@H]1CCCN1C(=O)c1ccnc2c(C(N)=O)cnn12 96489128 GNHDLKHBUYQBNK-CYBMUJFWSA-N 329.404 1.869 0 40 EDAB Cn1nccc1[C@H](CC(=O)O)c1c(O)nc2ccc(Cl)cn2c1=O 96223917 KNZUMYSZUZURMA-VIFPVBQESA-N 348.746 1.394 0 40 EDAB Cc1nnc(N2CC[C@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@@H]3C2)s1 96066232 TYLQZHBDYNJFII-SDDRHHMPSA-N 346.416 1.259 0 40 EDAB Cn1cc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)ccc1=O 96441208 DEIAKBSZJJAKPT-UHFFFAOYSA-N 335.367 1.300 0 40 EDAB Cc1cc(Br)c(O)c(C(=O)N[C@H]2CCC[C@@H]2C(N)=O)c1 91683213 AQHSFJPNJFQURP-KWQFWETISA-N 341.205 1.847 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(CC3CCOCC3)C[C@H]2O1 97953809 VBAFLGSXVSUPCG-CGTJXYLNSA-N 345.443 1.926 0 40 EDAB C[C@@H]1CCCN1C1CCN(C(=O)CN(C)[C@H]2CCSC2)CC1 245339245 RKRWISZLPPQKMZ-ZBFHGGJFSA-N 325.522 1.899 0 40 EDAB CCOCCC(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 584906679 VMZMMPJOQGGKFQ-UHFFFAOYSA-N 344.415 1.807 0 40 EDAB CCO[C@H](CCNC(=O)NCCCCS(N)(=O)=O)C1CCCC1 585087075 ZABXMQNXGBLJBT-CQSZACIVSA-N 349.497 1.340 0 40 EDAB Cc1cc(C[C@H]2COCCN(Cc3cnc(N(C)C)nc3)C2)ncn1 257320870 VYYJKWWSRFRBMI-OAHLLOKOSA-N 342.447 1.332 0 40 EDAB CN(C)C(=O)CN1CCC[C@H]1c1ccnc(Nc2cnccn2)c1 257252234 JUANSSXHNNLKLZ-AWEZNQCLSA-N 326.404 1.840 0 40 EDAB C[C@@H](C(=O)O)N(C(=O)C[C@@H](c1nccn1C)C(F)(F)F)C1CC1 585134951 QCSIJKNSKJDZGW-WPRPVWTQSA-N 333.310 1.920 0 40 EDAB CN(CCCO)S(=O)(=O)c1cnc(Cl)c(C(F)(F)F)c1 585115865 WUDBFCSEIDRQGC-UHFFFAOYSA-N 332.731 1.757 0 40 EDAB Cc1cc(CNC(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)no1 585121208 IMROBQORKORFMP-DGCLKSJQSA-N 341.408 1.463 0 40 EDAB Cc1cc(OC(=O)C[C@@H](O)[C@](C)(CO)C(=O)O)cc(C)c1Cl 253372428 FHSFGKOTLUEZAH-ABAIWWIYSA-N 330.764 1.696 0 40 EDAB O=C(c1nccc2ccccc12)N1CC[C@](O)(CN2CCCC2)C1 257302295 SCJPVXDHJLBKDK-IBGZPJMESA-N 325.412 1.908 0 40 EDAB COCCN1C(=O)CO[C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]21 257301927 SAPGIDJVBRWLMR-KBPBESRZSA-N 338.791 1.038 0 40 EDAB Cc1ccnn1CCC(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257255986 KJQUXUPTNGNXNM-HZPDHXFCSA-N 333.363 1.371 0 40 EDAB COCC(=O)NC1CN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)C1 252495012 OKWSQKMFESJDME-GFCCVEGCSA-N 337.342 1.264 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)CC1 257290895 QETGYKIPXRQFJI-KRWDZBQOSA-N 346.431 1.131 0 40 EDAB CC(=O)N1CCC[C@@]2(C)[C@H]1CCCN2C(=O)CN1CCCCCC1=O 257282430 OTTDUOIPKGUYBW-APWZRJJASA-N 349.475 1.781 0 40 EDAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccccn1 257248170 JCKLAHVEPVVPRX-QGZVFWFLSA-N 338.411 1.154 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C[C@H]1C(=O)O 263038385 BZPSCAFJACNMMJ-HTQZYQBOSA-N 343.792 1.558 0 40 EDAB COC(=O)c1cn(Nc2ccc(C(=O)O)cc2)cc2c(O)nnc1-2 604419391 IMPZYRXXHVCOIV-UHFFFAOYSA-N 328.284 1.449 0 40 EDAB COc1nccc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)n1 1615042423 OMHGUBUFRBTQCI-SNVBAGLBSA-N 346.774 1.674 0 40 EDAB Nc1ccn2ncc(C(=O)N3CC[C@@H](C(F)(F)F)[C@@H](N)C3)c2c1 1615547615 OZGNWEILFAWMAP-MNOVXSKESA-N 327.310 1.268 0 40 EDAB CN(C)CCn1ccc(NC(=O)[C@H]2NCCOc3ccccc32)n1 1615616255 ZAEUDAIQCGHZFM-INIZCTEOSA-N 329.404 1.107 0 40 EDAB Nc1nc(N2CCC(n3cc(C(=O)O)cn3)CC2)nc2ccccc12 563539527 SPHGGAQIIGNGHR-UHFFFAOYSA-N 338.371 1.948 0 40 EDAB O=C(CCCC(=O)N1CC(N2C(=O)[C@H]3C[C@H]3C2=O)C1)c1ccccc1 585387026 MFMVJYLHWJZACP-GASCZTMLSA-N 340.379 1.255 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)c2ccncn2)[C@H]1Cc1ccccc1 585269542 YLUBNHCRABGRRU-WMZOPIPTSA-N 338.411 1.829 0 40 EDAB O=C(CN1CC[C@@](O)(COc2ccc(F)cc2)C1)Nc1ccccn1 585277826 WIYCVZHZDXBFJY-SFHVURJKSA-N 345.374 1.675 0 40 EDAB CC(=O)N1CCC(Nc2cc(C(F)(F)F)nc3ncnn23)CC1 51425106 ZPWHIERJGXEOHD-UHFFFAOYSA-N 328.298 1.566 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1cnn(C)c1 56911668 YUXYATSHJJHNOU-UHFFFAOYSA-N 328.401 1.914 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)Cc1nc2c(cnn2C)c(=O)[nH]1 54417737 WBEPNMQCWWNNTF-UHFFFAOYSA-N 341.371 1.060 0 40 EDAB Cn1cccc(C(=O)NCC2CCN(CC(F)(F)F)CC2)c1=O 275479627 TZANEGVNFGLFJF-UHFFFAOYSA-N 331.338 1.389 0 40 EDAB NC(=O)C[C@@H]1CCCCN1C(=O)CN1CCC(C(F)(F)F)CC1 96495815 AWFQHCXOTBUJHQ-LBPRGKRZSA-N 335.370 1.517 0 40 EDAB C[C@@H]1Nc2ccnn2[C@H](C)[C@@H]1CCC(=O)NC[C@H](C)N1CCOCC1 1616042111 JKXGOQLBHUVTNQ-CAOSSQGBSA-N 349.479 1.491 0 40 EDAB C[C@H](OC(=O)c1cnc2n(c1=O)CCS2)C(=O)c1ccccc1 11214788 IADDEDQKZBGLPW-JTQLQIEISA-N 330.365 1.777 0 40 EDAB CNC(=O)C1CCN(CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)CC1 12333713 NKZJEGZWOOXGRS-GFCCVEGCSA-N 347.415 1.051 0 40 EDAB CCCCNC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1OC 13580911 MRRSCXYYOZCROV-UHFFFAOYSA-N 332.397 1.371 0 40 EDAB CN1C[C@@H](C(=O)N2CCC(c3nn(C)c4ncccc34)CC2)CC1=O 19289504 AVQWAYDDILIQHP-ZDUSSCGKSA-N 341.415 1.153 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)c2cccc(Br)c2)[C@@H]1O 643585441 KPUNHLYQXZBNLP-RTXFEEFZSA-N 344.205 1.201 0 40 EDAB NC(=O)c1ccnc2c1ccn2[C@@H]1CN(Cc2cscn2)C[C@H]1O 643913084 VERHFUMWWJRJNK-ZIAGYGMSSA-N 343.412 1.010 0 40 EDAB CCOC(=O)C1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 17296907 PUFWCAPVKPRJDK-UHFFFAOYSA-N 346.383 1.786 0 40 EDAB NC(=O)NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 4494992 QVSRKHNEKIBPDY-UHFFFAOYSA-N 332.337 1.659 0 40 EDAB Cc1nc(N2C[C@@H]3CN(Cc4c(C)noc4C)C[C@@H]3C2)nc(O)c1F 1888853991 NLDUPIXRNIIMFJ-BETUJISGSA-N 347.394 1.803 0 40 EDAB O=S(=O)(N[C@H]1CCCN(c2nnc(C3CC3)s2)C1)C1CC1 1889108848 OGQHLLPBBXJGPH-JTQLQIEISA-N 328.463 1.466 0 40 EDAB CCc1ccc(C(=O)N2CC[C@@H](OC)[C@@H]2Cc2cnn(C)c2)cn1 1614933564 JNKOQWUQCOUYQN-DLBZAZTESA-N 328.416 1.850 0 40 EDAB O=c1c(=O)n(-c2ccc3c(c2)OCCO3)ccn1CC1CCCC1 2086934470 MAZHAXTTYRBRLO-UHFFFAOYSA-N 328.368 1.961 0 40 EDAB Cc1nnc2ccc(N3C[C@H]4CN(c5ncccc5F)C[C@@H]4C3)nn12 2087023444 HVIBUUADHJOJLY-STQMWFEESA-N 339.378 1.539 0 40 EDAB CN(C)S(=O)(=O)NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9036613 MRZXKFOEOGFXTC-SNVBAGLBSA-N 331.825 1.089 0 40 EDAB COc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)NCCO3)c1 9172137 VTQYIOXLEAHYRY-UHFFFAOYSA-N 342.351 1.835 0 40 EDAB CN1C[C@H]2CN(C(=O)c3ncn(C)n3)CC[C@]2(c2ccccc2)C1 2055750616 KCQSPYSJDLZPRP-MAUKXSAKSA-N 325.416 1.161 0 40 EDAB CCCS(=O)(=O)N1CC[C@@](Nc2cccc(F)c2)(C(=O)NC)C1 2055750591 ITOAFIUOGUPUJI-HNNXBMFYSA-N 343.424 1.168 0 40 EDAB COc1ccc(CNC(=O)N2CCC(n3ccnn3)CC2)cc1OC 206940136 POEMRNYAMNPFAK-UHFFFAOYSA-N 345.403 1.842 0 40 EDAB CCCCS(=O)(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 35598307 QGIBBRGFQLLXQQ-UHFFFAOYSA-N 336.461 1.810 0 40 EDAB O=C(NC[C@@H](OCCO)c1cccs1)[C@H]1COc2ccccc2O1 575608921 PZQJOPJZGSIXRK-HUUCEWRRSA-N 349.408 1.754 0 40 EDAB O=C(C1CN(c2ncc(C(F)(F)F)cc2F)C1)N1CCOCC1 2298041245 ACJSVWDUUJXGGL-UHFFFAOYSA-N 333.285 1.535 0 40 EDAB CC(C)[C@@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)O 4084348 LXBVBFJMDGMTLK-ZOWXZIJZSA-N 334.397 1.482 0 40 EDAB biogenic O=S(=O)(c1cc(F)ccc1F)N1CCN(C[C@@H](O)C2CC2)CC1 85467099 XWZDTMUDLJLPCZ-CQSZACIVSA-N 346.399 1.042 0 40 EDAB O=C(NCCc1ccc(F)cc1)C1=NN(c2ccccc2)C(=O)CN1 30585890 DJXVCWHKEFABJA-UHFFFAOYSA-N 340.358 1.434 0 40 EDAB Cc1occc1C(=O)NCCN1CCN(C(=O)c2ccoc2C)CC1 20295967 UQFLNOACVUIVPN-UHFFFAOYSA-N 345.399 1.677 0 40 EDAB COc1ccccc1C(=O)Cn1nnn(-c2ccccc2Cl)c1=O 31790658 VTIHXFRJMBCLSA-UHFFFAOYSA-N 344.758 1.974 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 40513456 AXDGQTWHDWCVNR-CYBMUJFWSA-N 327.454 1.115 0 40 EDAB CC(C)CN1C[C@H](C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1=O 40553771 HBVWHKHEHLWCGQ-CABCVRRESA-N 345.447 1.066 0 40 EDAB CCC[C@@](C)(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OC 32788616 UNDAVCFEFMZVBH-OAHLLOKOSA-N 342.417 1.655 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)CC[C@@H]2CCCO2)cc1 46359295 WVMQQDCXNZOACH-ZDUSSCGKSA-N 326.418 1.170 0 40 EDAB CCCn1nnnc1NC(=S)NC(=O)COc1ccc(C)cc1C 569727 MXKTVPXTJZTJIU-UHFFFAOYSA-N 348.432 1.592 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)N(C)C[C@@H]1COc2ccccc2O1 46480226 PPDQQAWGKCGRLF-LSDHHAIUSA-N 349.431 1.189 0 40 EDAB CCc1nc(CN2CCN(C(=O)Cc3cccc(F)c3)CC2)no1 69769006 WDPBMLVEDBAAEP-UHFFFAOYSA-N 332.379 1.658 0 40 EDAB COCCN1CCC[C@@H](NC(=O)NCc2sc(C)nc2C)C1 76088520 DUWLDSAOILCGCZ-CYBMUJFWSA-N 326.466 1.670 0 40 EDAB CC[C@](C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC1=O 1410104 OCMCZJBHGZPQDR-GOSISDBHSA-N 331.416 1.863 0 40 EDAB COc1ccccc1OCCN1CCN(Cc2cnn(C)c2)CC1 69741014 DIICLMITPZHCAO-UHFFFAOYSA-N 330.432 1.625 0 40 EDAB Cc1ccn(-c2ccc(NCCC(=O)NCc3ccncc3)nn2)n1 77960182 XTMLUPZXEIKPGS-UHFFFAOYSA-N 337.387 1.484 0 40 EDAB Cc1cc(=O)c(O)c(CN2CCn3c(nnc3C(F)(F)F)C2)n1C 79479541 LFFLVXDFSHCKEB-UHFFFAOYSA-N 343.309 1.025 0 40 EDAB CNC(=O)NC(=O)CSc1nnc(C[C@H](C)c2ccccc2)o1 79443280 VXCLCPYOGAIITC-JTQLQIEISA-N 334.401 1.964 0 40 EDAB COCC(=O)N1CCN(C(=O)NCc2ccc(F)c(Cl)c2)CC1 69738356 MIOPUNBTHSGHGB-UHFFFAOYSA-N 343.786 1.479 0 40 EDAB O=C1CCC(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)=NN1 4334121 OFBGIFODHANALM-UHFFFAOYSA-N 341.270 1.036 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 41374363 MIBGSEJPCFJMPN-UHFFFAOYSA-N 336.417 1.664 0 40 EDAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)NCC(C)C)cc1 6109084 NTUGZPYJKKGBRM-UHFFFAOYSA-N 336.388 1.131 0 40 EDAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2cc(C)on2)c1 6680339 FTPKHSIZLSMJKN-UHFFFAOYSA-N 329.403 1.937 0 40 EDAB CCCN1CCN(CC(=O)Nc2ccccc2N2CCOCC2)CC1 22798752 LRYOXFKUCFDJQF-UHFFFAOYSA-N 346.475 1.489 0 40 EDAB COc1cccc(CN(C)[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)c1 42295854 RGFVVOGLUCMTNM-UKRRQHHQSA-N 333.432 1.239 0 40 EDAB O=C(CCn1cccn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 42723125 NFUHQHOKHWBEOS-UHFFFAOYSA-N 342.399 1.346 0 40 EDAB CCN(Cn1nc2n(c1=S)CCCCC2)[C@H]1CCS(=O)(=O)C1 24013787 BAMGOFWRPVJDTH-LBPRGKRZSA-N 344.506 1.607 0 40 EDAB Cc1ccc(OCCCCNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 42871406 KOWVILXRLOGAKL-CQSZACIVSA-N 340.445 1.640 0 40 EDAB Oc1cc(CCc2ccccc2)nc2c(CN3CCNCC3)cnn12 100666478 GFKCZKVVLKUSGL-UHFFFAOYSA-N 337.427 1.625 0 40 EDAB O=S1(=O)C[C@H](NC2CCCC2)[C@@H](S(=O)(=O)c2ccccc2)C1 55408352 WAIVUBBOKCZJAR-GJZGRUSLSA-N 343.470 1.158 0 40 EDAB CC(C)[C@@H](CNS(=O)(=O)c1ccccc1F)N1CCOCC1 25373666 FOBVOQNQOAQVCU-CQSZACIVSA-N 330.425 1.461 0 40 EDAB CCN(Cc1cccs1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 25760768 POTXECRNHJAYIW-BQYQJAHWSA-N 333.413 1.207 0 40 EDAB CCN1CCC(CNC(=O)c2ccc(Cn3cncn3)cc2)CC1 57000830 GRTCNDKJWQJJPR-UHFFFAOYSA-N 327.432 1.788 0 40 EDAB COC(=O)c1ccc(C(=O)Nc2cccnc2-n2cncn2)s1 58028521 JBKKRAVWHRNNJA-UHFFFAOYSA-N 329.341 1.763 0 40 EDAB COC[C@H](NC(=O)[C@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1 72287913 LXGNZLGQDSPVED-NEPJUHHUSA-N 330.306 1.788 0 40 EDAB CN(C)C(=O)COC[C@H]1CC[C@H]2[C@H](CCN2Cc2cccnc2)O1 107206404 KIVRIWZGWSMPGS-IKGGRYGDSA-N 333.432 1.308 0 40 EDAB Cc1cccc(CN2CCN(C(=O)CNCCn3cccn3)CC2)c1 72267793 CIWBUWNUHQQBHN-UHFFFAOYSA-N 341.459 1.126 0 40 EDAB COCCn1nc(C)c(CNC(=O)c2cccc3cn[nH]c23)c1C 58160292 JLNQOQYJXIVJNR-UHFFFAOYSA-N 327.388 1.953 0 40 EDAB Cc1cc(=O)n2nc(N3CCN(Cc4cccnc4)CC3)sc2n1 44897131 JZTTWSSFEZZDCY-UHFFFAOYSA-N 342.428 1.177 0 40 EDAB COc1cc(CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc(OC)c1 44873221 OVHQZHPMVVKJGB-ZDUSSCGKSA-N 341.429 1.282 0 40 EDAB COc1ccc(CCC(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1F 58214635 WZBMRGBSTXUSGF-LBPRGKRZSA-N 338.379 1.130 0 40 EDAB CCOCC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 108530883 HVAXOOZGFPRGBF-UHFFFAOYSA-N 345.443 1.849 0 40 EDAB Cc1ccccc1NC1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 58331131 QTCIUPIHYIHKAN-UHFFFAOYSA-N 342.443 1.469 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 21820208 LYRGYEXGHQWNAO-RYUDHWBXSA-N 326.418 1.121 0 40 EDAB C[C@@H]1NC(C(=O)N[C@H](C)[C@@H]2CCCO2)=NN(c2ccccc2)C1=O 27904238 ONCWQBLXJUMXNF-DYEKYZERSA-N 330.388 1.009 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2C(N)=O)cc1OC 27976219 LVNTZPFNHFNRAB-NSHDSACASA-N 342.417 1.041 0 40 EDAB C[C@@H](C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)S(C)(=O)=O 45059993 ICCCNFXAQXFRNR-NSHDSACASA-N 339.413 1.247 0 40 EDAB CO[C@H](C)C(=O)N[C@H](Cc1ccccc1)CN(C)C(=O)[C@@H](C)OC 72287143 ZNYKSBVVTVLEJK-IIAWOOMASA-N 336.432 1.242 0 40 EDAB CNc1cc(N2CCC[C@@H]2CNc2cc(C)nc3ncnn23)ncn1 72276294 MNTRIJFPTMTYFN-GFCCVEGCSA-N 339.407 1.345 0 40 EDAB Cc1cc(C(F)(F)F)nc(N2CCN(Cc3noc(C)n3)CC2)n1 347412856 LGUUPLNIYVNUQA-UHFFFAOYSA-N 342.325 1.817 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)NCCc1ccc(F)cc1 2428191 QMDJEGQSNIQGDK-ZDUSSCGKSA-N 328.409 1.962 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCc2nc3ccccc3s2)C[C@H](C)O1 48333318 SAZVTLMDWRQNSQ-QWRGUYRKSA-N 341.458 1.740 0 40 EDAB COc1ccc(N2C[C@H](C(=O)Nc3ccn(C)n3)CC2=O)c(OC)c1 48333595 JZQXZIAISHTTOB-LLVKDONJSA-N 344.371 1.429 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c(=O)[nH]1 12826209 NPLVXVNAKYFMLQ-ZDUSSCGKSA-N 343.358 1.873 0 40 EDAB O[C@H](CN1CCN(c2ccc3nncn3n2)CC1)c1cccc(F)c1 69814839 PMCAVAJDWOSUCQ-OAHLLOKOSA-N 342.378 1.119 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(CCO)cc2)s1 69876474 YGIRYBRVRHOVOT-UHFFFAOYSA-N 341.410 1.870 0 40 EDAB CN(C(=O)CSc1ccccc1C(=O)O)[C@H]1CCS(=O)(=O)C1 12937189 MYDCDDHLGZCQHY-JTQLQIEISA-N 343.426 1.122 0 40 EDAB Cc1[nH]c(C(=O)NC2(C(N)=O)CCCC2)c(C)c1C(=O)OC(C)C 69871657 JPQTXZMWEPTUSN-UHFFFAOYSA-N 335.404 1.725 0 40 EDAB NC(=O)C1(N2CCN(C(=O)CC[C@@H]3CCCO3)CC2)CCCCC1 69842012 INNIHCXYUPTRGD-HNNXBMFYSA-N 337.464 1.278 0 40 EDAB CN(C)c1ncc(CNC(=O)CNC(=O)c2ccccc2Cl)n1C 69924507 AJEFGPUZVOZPIW-UHFFFAOYSA-N 349.822 1.186 0 40 EDAB Cn1cccc1C(=O)Nc1ccccc1CN1CCC[C@@H]1C(N)=O 69918415 UIHZIMFGURYEBQ-OAHLLOKOSA-N 326.400 1.727 0 40 EDAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCSCC1)C2=O 49213953 XWLQXIJJRVCAJQ-UHFFFAOYSA-N 325.434 1.063 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N1CCC(CC(N)=O)CC1)C2 64489075 AZUNGPZBFAPVTK-CQSZACIVSA-N 332.400 1.360 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H]1CCN3CCCC[C@H]13)C2 64488767 GRWQKQCAVUOFCO-DJIMGWMZSA-N 330.428 1.989 0 40 EDAB CCOC(=O)CNC(=O)CSc1nc2cc(Cl)cnc2[nH]1 6380524 PRGXRPBRCUKIEN-UHFFFAOYSA-N 328.781 1.383 0 40 EDAB Cc1nc(CN2CCN(C(=O)NC[C@H](C)N(C)C)CC2)cs1 65440769 HEPCIOPUKZGQRE-LBPRGKRZSA-N 325.482 1.229 0 40 EDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 65414444 FTKXKVZUOAPXSK-AWEZNQCLSA-N 333.432 1.424 0 40 EDAB Cc1cccc(N2CCN(CCNC(=O)c3cc(C)nn3C)CC2)c1 65412898 NJCXBELBUPLMAM-UHFFFAOYSA-N 341.459 1.589 0 40 EDAB CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(N(C)C)nc1)CC2 97198690 DCJPBDKNUMWUIF-ZDUSSCGKSA-N 328.420 1.607 0 40 EDAB C[C@@H]1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C[C@@H](C)O1 14118688 JKYOHQSGVMMINS-HZPDHXFCSA-N 347.459 1.567 0 40 EDAB CCNC(=O)CNC(=O)c1ccccc1OCCN1CCCC[C@H]1C 65606550 NWXSZFHTFKTBSZ-OAHLLOKOSA-N 347.459 1.806 0 40 EDAB O=C(CC[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NC1CC1 8990467 UNNCAGOHGBUZQP-LBPRGKRZSA-N 345.355 1.099 0 40 EDAB Cc1noc(CNC(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)n1 66205390 QXGUJGADSDYZTM-UHFFFAOYSA-N 349.416 1.416 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409363362 WIJQMMDJMLWYKY-UHFFFAOYSA-N 346.836 1.815 0 40 EDAB CCCCNC(=O)NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 7131783 PAJSURSXIDOGBS-UHFFFAOYSA-N 338.408 1.257 0 40 EDAB O=C(c1ccc(-c2cc[nH]n2)nc1)N1CCCN(c2ncccn2)CC1 67803470 BQQBSYSTOCRJLU-UHFFFAOYSA-N 349.398 1.614 0 40 EDAB C[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NC(=O)NC(C)(C)C 7776304 GWSKOLQKRCTCAM-SSDOTTSWSA-N 327.410 1.011 0 40 EDAB O=C1CN(CC(=O)Nc2ccccc2C(=O)c2ccccc2)CCN1 7844618 WPGDRXLEJSTGDC-UHFFFAOYSA-N 337.379 1.288 0 40 EDAB O=C(CC1CCCCC1)NCCNC(=O)C1(O)Cc2ccccc2C1 81315141 QYNYOORXOAZGGK-UHFFFAOYSA-N 344.455 1.719 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1nc2c(s1)CCC2 8184583 NTVKFLNMSHMOFK-UHFFFAOYSA-N 326.381 1.980 0 40 EDAB O=C(NCc1nc(C2CC2)no1)N[C@H]1CCN(c2ccccc2)C1=O 69105265 QHXIPLFWUDMGNJ-ZDUSSCGKSA-N 341.371 1.552 0 40 EDAB CCn1ccnc1CN1CCN(Cc2csc(NC(C)=O)n2)CC1 69436271 QABPUEMUBAKLGC-UHFFFAOYSA-N 348.476 1.636 0 40 EDAB CC(=O)NCC(=O)NCC(=O)Nc1cccc(-c2nc(C)cs2)c1 69485519 WFFFTFIKNCROGK-UHFFFAOYSA-N 346.412 1.309 0 40 EDAB CCOc1ncccc1NC(=O)[C@H]1CS(=O)(=O)c2ccccc2O1 69452417 GVWPBFBLBXOBRK-CYBMUJFWSA-N 348.380 1.654 0 40 EDAB CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 69491413 XTECAWNYCLYQHV-AWEZNQCLSA-N 348.424 1.988 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCCc1nccn1C 96009883 VSMIXOZUINEHQM-UHFFFAOYSA-N 339.465 1.410 0 40 EDAB CCCNC(=O)C1(NC(=O)[C@@H](C)NC(=O)c2ccoc2)CCCCC1 69514768 SQPHACCPMIDZAS-CYBMUJFWSA-N 349.431 1.743 0 40 EDAB CC(C)(C)OC(=O)N1CCCc2cc(NCC(=O)NC(N)=O)ccc21 69509425 IVVGMGVEULKGOA-UHFFFAOYSA-N 348.403 1.981 0 40 EDAB Cc1cc(N(C)C)nc(N2CCO[C@@H](Cn3nc(C)cc3C)C2)n1 69562756 XBNXVBOESKXUJY-OAHLLOKOSA-N 330.436 1.570 0 40 EDAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2nncs2)N2CCCC2)o1 69508938 XPKOSGMHYRPNPE-LLVKDONJSA-N 349.416 1.331 0 40 EDAB CCN(CC)CC(=O)N1CCN(c2cc(Cl)nc(C)n2)CC1 69615673 PKEFLZSTWZUWHF-UHFFFAOYSA-N 325.844 1.429 0 40 EDAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N1CCNC1=O 9498781 LAEVMJHFLHZADH-UHFFFAOYSA-N 341.154 1.255 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 71821267 XDEJYICVWQVGES-QGZVFWFLSA-N 340.427 1.669 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cc(C(N)=O)cs2)n1 71870233 ZQOYLLZNHNETAP-ZDUSSCGKSA-N 332.429 1.965 0 40 EDAB O=C(Cn1cccn1)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 71850259 GAWOLESEULBBPO-INIZCTEOSA-N 326.400 1.233 0 40 EDAB COc1ccccc1CC(=O)N1CCCN(Cc2nc(C)no2)CC1 71841169 XHVXWAALDXFQRO-UHFFFAOYSA-N 344.415 1.664 0 40 EDAB O=C(CN1CCc2ccccc21)N1CCN(Cc2cscn2)CC1 71821801 KCAMNBCKLMKMRM-UHFFFAOYSA-N 342.468 1.850 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCC(Nc2cccnn2)CC1 71863351 LFNDBDRCTCIENN-UHFFFAOYSA-N 328.420 1.473 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCCC[C@@H]2Cn2cccn2)cs1 71865253 KFWCIQCMCQETLZ-GFCCVEGCSA-N 333.417 1.993 0 40 EDAB Cc1ccc(C)c(CC(=O)NCC(C)(C)N2CCS(=O)CC2)c1 71907626 COORJNDZYSQHRN-UHFFFAOYSA-N 336.501 1.805 0 40 EDAB CCCn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21 9825484 LZRIRJYDCZXFKS-UHFFFAOYSA-N 339.351 1.745 0 40 EDAB O=C(Cc1n[nH]c2ccccc12)NC[C@H](O)COc1ccc(F)cc1 84593188 YKSIAISVIFQTDU-ZDUSSCGKSA-N 343.358 1.801 0 40 EDAB CCN(Cc1cc(=O)n2nccc2[nH]1)C[C@@H](O)c1ccc(C)cc1 72828661 WICDTDDRYUEYJX-MRXNPFEDSA-N 326.400 1.887 0 40 EDAB C[C@@H](CNC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1cccs1 98018887 MFTGVBBZCIYEQS-LBPRGKRZSA-N 347.444 1.644 0 40 EDAB O=C(O)CCC1CCN(C(=O)C2CCN(c3ncccn3)CC2)CC1 95991841 UPNZBWOJXAYXIA-UHFFFAOYSA-N 346.431 1.796 0 40 EDAB CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)[C@@]1(C)CC1(Cl)Cl 95943969 AAIXZVUTGAXBNS-VXGBXAGGSA-N 326.220 1.779 0 40 EDAB COc1ccc(OC)c(C(=O)N2CCSC[C@@H]2CC(=O)O)c1 95962138 JXUYCYBSQHYISO-JTQLQIEISA-N 325.386 1.736 0 40 EDAB NC(=O)c1c[nH]c(C(=O)N2CCN(c3cccc(Cl)n3)CC2)c1 89794136 NSSMZFUUXDLZBG-UHFFFAOYSA-N 333.779 1.124 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)C1CCN(C(=O)C2CC2)CC1 89830028 GIPWCBCUHKPNIJ-INIZCTEOSA-N 344.411 1.447 0 40 EDAB CC(C)[C@H](NC(=O)[C@H]1CNC(=O)N1)c1nc(-c2ccccc2)no1 89801872 GEMUYGIBRQHGHB-NEPJUHHUSA-N 329.360 1.231 0 40 EDAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)N2[C@@H](C)CCC[C@H]2C)CC1 89942286 AGBSQZKYXGBJNZ-OAGGEKHMSA-N 338.496 1.902 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 409293614 KYQFQZCPRBIEEV-XJIUQZFPSA-N 331.299 1.202 0 40 EDAB Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)Cc2ccncc2C)n[nH]1 1551463271 YGTXCNNASVGZEO-HUUCEWRRSA-N 329.404 1.390 0 40 EDAB Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCC(C)C)c(=O)[nH]1 78910702 BRQQVOAORUWSEA-CYBMUJFWSA-N 337.445 1.361 0 40 EDAB Cc1cc(F)cc(C)c1C(=O)NC[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O 527559314 QJGDHAFMKAHAGB-DYEKYZERSA-N 332.379 1.845 0 40 EDAB O=C(NS(=O)(=O)c1cnccn1)[C@@H]1C[C@H]1c1ccccc1Cl 152463171 OPOWKGKDLJVUCU-WDEREUQCSA-N 337.788 1.739 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cnn(C)c1 182979922 CXLNYUAJKXBAIH-JKSUJKDBSA-N 345.451 1.683 0 40 EDAB COC(=O)CCCNC(=O)CCCNC(=O)c1ccc(Cl)cc1 36620109 NFWPXRCUQTULJB-UHFFFAOYSA-N 340.807 1.919 0 40 EDAB O=C(CCC(=O)N1CCOCC1)NCc1cccc(C(F)(F)F)c1 33029140 NNKHTCVURVWMRC-UHFFFAOYSA-N 344.333 1.961 0 40 EDAB CN(Cc1cc2n(n1)CCNC2)C[C@H]1CCN(c2ccccc2)C1 72131988 ZCOVFPUXTRAOBH-MRXNPFEDSA-N 325.460 1.945 0 40 EDAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCN1CCN(C)CC1 216382510 CLGFDAUTARQOFH-GOSISDBHSA-N 349.475 1.606 0 40 EDAB Cc1cccnc1[C@H](NCC(=O)N1CCC[C@@H](C(N)=O)C1)C(C)C 72296430 GMDVBFWVCGGAGR-GDBMZVCRSA-N 332.448 1.401 0 40 EDAB CN1CCN(Cc2cccc(C(=O)NC[C@@H]3CCCC[C@@H]3O)c2)CC1 73932599 FXQGLKLEOKLWPN-OALUTQOASA-N 345.487 1.715 0 40 EDAB Cc1ccn(CC(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)n1 71195657 IXEPKCSTYSPYCC-OAHLLOKOSA-N 336.399 1.966 0 40 EDAB Cc1csc(NC(=O)Cn2c(C)nc3ccc(O)cc3c2=O)n1 72401763 KWEBYPSSTIFACS-UHFFFAOYSA-N 330.369 1.814 0 40 EDAB COc1cc(-c2nsc(N3CCNCC3)n2)cc(OC)c1OC 216642844 GLCMGVHYNFDSRP-UHFFFAOYSA-N 336.417 1.641 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)c1cccs1 40465374 XXGZZHZBOAOIDX-AWEZNQCLSA-N 346.456 1.949 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(NS(C)(=O)=O)c(F)c1 71284933 NFCBHLSAHGNODJ-WDEREUQCSA-N 344.364 1.493 0 40 EDAB O=C1c2cnc(N3CCOCC3)nc2CN1c1ccc2c(c1)OCO2 41122937 ZEIIYVKSFCQKGF-UHFFFAOYSA-N 340.339 1.202 0 40 EDAB COCCCNC(=O)Cn1nc(-c2ccc(OC)cc2F)ccc1=O 44893140 ROTDYPKMLWQQBS-UHFFFAOYSA-N 349.362 1.211 0 40 EDAB Cc1cc(C)n(CCCNC(=O)c2cc(NC(=O)C(C)C)n(C)n2)n1 46088985 HOODCYGCYFKYHT-UHFFFAOYSA-N 346.435 1.648 0 40 EDAB O=c1onc(-c2ccccc2)n1C[C@@H](O)CNC[C@@H]1C[C@H]1C1CCC1 569961690 GFSSVPODNIZHIO-ULQDDVLXSA-N 343.427 1.890 0 40 EDAB Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cccs3)C2)nn1 225431280 AHJHLKJXVIMCTE-NSHDSACASA-N 325.415 1.689 0 40 EDAB Cn1cc(C(=O)N2CCC(c3nc(O)n[nH]3)CC2)c(C(F)F)n1 573568726 WSMKOPMFHFTHGZ-UHFFFAOYSA-N 326.307 1.201 0 40 EDAB Cc1nc(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)nc2ccccc12 193661901 GXKXWNLJYAJFAT-AWEZNQCLSA-N 349.394 1.790 0 40 EDAB C[C@H]1[C@@H](C)N(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC[S@@]1=O 195530968 YOKFEQFFKOVIFS-RDLWGGRYSA-N 341.376 1.634 0 40 EDAB CCc1nc(C2CCN(C(=O)c3cnc(N(C)C)cn3)CC2)n[nH]1 332427789 CRYVBGNNBOUTBT-UHFFFAOYSA-N 329.408 1.243 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)S1 96443762 NVICWNNWPVJYFP-NSHDSACASA-N 333.461 1.538 0 40 EDAB C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@H]2COCCO2)CC1 96426000 OZAGMOSSOCGWII-BBRMVZONSA-N 338.835 1.961 0 40 EDAB Cc1nnc2n1C[C@H](N[C@@H](C)C(=O)N1CCCc3ccccc31)CC2 97199490 LMUABQCURYGZAF-XJKSGUPXSA-N 339.443 1.859 0 40 EDAB Cn1c(CO)cnc1S(=O)(=O)Cc1ncc(-c2ccccc2)o1 96493886 ILIBMFLUEOYTFK-UHFFFAOYSA-N 333.369 1.541 0 40 EDAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NC4CCCC4)O[C@@H]3C2)nn1 96042761 CBUCNZPTDZWLMJ-NUEKZKHPSA-N 330.432 1.828 0 40 EDAB Cn1c(CNC(=O)c2ccccc2-n2cnnn2)nc2ccccc21 96232130 YCAWLVWUGXBVLE-UHFFFAOYSA-N 333.355 1.479 0 40 EDAB Cc1noc(-c2cccnc2N2CC[C@H](CN3CCOCC3)C2)n1 96429719 BYQNKRKDMUBVST-CQSZACIVSA-N 329.404 1.599 0 40 EDAB O=c1cccnn1C[C@@H]1CN(Cc2ccsc2)Cc2nccn2C1 96188727 BPJVDZYUYXGPSR-OAHLLOKOSA-N 341.440 1.834 0 40 EDAB O=C(CO[C@@H]1CO[C@@]2(CCN(Cc3ccoc3)C2)C1)N1CCCC1 96206379 WDXRQFOYSQRXOS-WMZOPIPTSA-N 334.416 1.652 0 40 EDAB CC(C)CN1CCN(C)C2(CCN(Cc3nccs3)CC2)C1=O 96050050 XOLSVSJDCHTTAI-UHFFFAOYSA-N 336.505 1.908 0 40 EDAB CCS(=O)(=O)N1CC[C@H](OC)[C@H]2CN(Cc3ccco3)C[C@H]21 96109504 IOPGKMWRWAGXSI-ZNMIVQPWSA-N 328.434 1.150 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCCN1c1ccc(F)cc1 96306479 DUTHSFKEGBPROH-UHFFFAOYSA-N 329.335 1.494 0 40 EDAB Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)C3CCCC3)[C@H]2O)cc1 96111594 ZNWPSIUCTJNQRA-KURKYZTESA-N 332.444 1.519 0 40 EDAB biogenic,in-vitro CCCS(=O)(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](Nc2ccccn2)C1 97953511 FGPBENFMODTGSF-LZWOXQAQSA-N 339.461 1.713 0 40 EDAB Cn1cc(CN2C[C@H]3OCC[C@H]3[C@H](C(=O)NC3CCCC3)C2)cn1 97953398 RECMNCMSXACHOW-GVDBMIGSSA-N 332.448 1.316 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)ccc1F 96496858 ZTDOTTBHWMGNSG-ZDUSSCGKSA-N 338.408 1.827 0 40 EDAB CCOC1CC(N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1 583619196 REUFLDNCYRHGMM-LJIJDPQTSA-N 332.448 1.772 0 40 EDAB O=C(COc1ccc2c(c1)CCC2)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 583620396 FIPLIDGAIPSLEI-OTWHNJEPSA-N 345.439 1.943 0 40 EDAB COCCn1cc(CNC[C@@H]2CCCN(C)[C@H]2c2cncn2C)cn1 583616615 SPISAOKOHSNPIB-FUHWJXTLSA-N 346.479 1.436 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2[C@H](CCN2Cc2nccs2)O1 96186581 QYCNYKUFGXEPFU-KKUMJFAQSA-N 344.440 1.586 0 40 EDAB O=C(C[C@H]1CN(c2ncc(F)cn2)Cc2ccnn21)N1CCCCO1 247882492 WAYOYQSRQKHLEI-AWEZNQCLSA-N 346.366 1.318 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21)c1ccsc1 247379162 IVFBXXILJCVTJF-MRVWCRGKSA-N 348.403 1.558 0 40 EDAB O=C(NC1CCCC1)[C@@H]1CN(Cc2nccs2)Cc2ccnn21 247742986 OVVUBRDMEYEJHD-AWEZNQCLSA-N 331.445 1.955 0 40 EDAB O=S(=O)(C1CC1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 247310812 INRWYTLABDWXHK-ZDUSSCGKSA-N 347.444 1.314 0 40 EDAB O=C(CCN1CCC(N2CCOCC2)CC1)Nc1cccc(F)c1 585116094 HFJVJEOAGFRBHL-UHFFFAOYSA-N 335.423 1.951 0 40 EDAB C[C@@H]1C[C@H](O)CN(C(=O)c2cnn3c(-c4cccnc4)ccnc23)C1 585132301 SRBBZWZVLYNZEW-OCCSQVGLSA-N 337.383 1.634 0 40 EDAB Cc1csc(NCCNS(=O)(=O)c2cccc3c2OCC3)n1 585114874 DBYATEBGNAMSSI-UHFFFAOYSA-N 339.442 1.777 0 40 EDAB O=C(N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1)N1CC(F)C1 585139876 REVPYZAIQZATLD-CQSZACIVSA-N 329.379 1.547 0 40 EDAB CC(=O)N1CCC(Cc2cnc(CNC(=O)c3ccon3)cn2)CC1 257243621 IHUUMSTUAWGWRF-UHFFFAOYSA-N 343.387 1.196 0 40 EDAB Cc1cncc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)c1 257250464 JMPQBLFGVDKWOA-INIZCTEOSA-N 326.400 1.841 0 40 EDAB CNC(=O)[C@@]1(CCCc2cnccn2)CCCN(c2ncccn2)C1 257220816 DMGQPSFAIQMCCD-SFHVURJKSA-N 340.431 1.622 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1cccc(C)n1 257231835 GIIUTSRBXDBMSQ-KRWDZBQOSA-N 325.372 1.058 0 40 EDAB COCC(=O)N1CC[C@@H](Cc2nccnc2-c2cnc(C)n2C)C1 257339872 ZDNNCGSSJAUBBN-ZDUSSCGKSA-N 329.404 1.223 0 40 EDAB O=S(=O)(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1ccc(F)cc1 257306652 SVFSLKHQBGFLKC-RBSFLKMASA-N 328.409 1.092 0 40 EDAB CNC(=O)[C@@]1(CCCc2ccccn2)CCCN1Cc1ncc[nH]1 257266963 MFIQKMBDSILTFR-GOSISDBHSA-N 327.432 1.908 0 40 EDAB COCc1ccc(C(=O)N2CCOC[C@@H]2c2cc(O)nc(C)n2)cc1 257287057 POHZRZASXCVFSP-MRXNPFEDSA-N 343.383 1.851 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1c1nccnc1Nc1nccs1 257204172 ATIMRBOCFWEOPI-VIFPVBQESA-N 325.419 1.773 0 40 EDAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)CC1 257244433 ILHFDWFUDMBMOP-FRFSOERESA-N 344.459 1.991 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCc1cc(-c2cnccn2)nn1C 253472963 QTPLFISNKQKIFP-ZDUSSCGKSA-N 337.383 1.961 0 40 EDAB C/C=C/C(=O)O[C@@H]1/C=C/[C@H](O)[C@@H](OC(C)=O)CCC(=O)O[C@H]1C 253389297 GXBAKQFLYWSOJH-CXMDAYFMSA-N 326.345 1.049 0 40 EDAB biogenic,in-vitro C[C@H](NC(=O)c1ccc(NC(=O)[C@@H](C)n2cccn2)cc1)C(=O)O 262973947 OWHBCOKETAXPPJ-WDEREUQCSA-N 330.344 1.286 0 40 EDAB COC(=O)[C@H](c1cccnc1)N1CCn2c(CC3CC3)nnc2C1 593053052 BFSQHDXRZOCDFM-INIZCTEOSA-N 327.388 1.356 0 40 EDAB CCN1CCN(C2CN(C(=O)c3cccc4c3ccn4C)C2)CC1 1615000955 IZOUSHVKKPQIRO-UHFFFAOYSA-N 326.444 1.640 0 40 EDAB COc1cc(CNC(=O)N2CCC(c3cncn3C)CC2)ccn1 1615614310 DTQOWJOMOUPPLT-UHFFFAOYSA-N 329.404 1.913 0 40 EDAB CC[C@@H](C)c1ccc(NC(=O)CN2C(=O)NC3(CC(O)C3)C2=O)cc1 1616042245 OXILULVKDVWLSD-NWCKJHLDSA-N 345.399 1.584 0 40 EDAB O=C(COCc1ccccc1)N1CC[C@H](Oc2ncc(F)cn2)C1 390829481 ZJLCSUVVWUCOPI-HNNXBMFYSA-N 331.347 1.812 0 40 EDAB COc1nc(CNC(=O)[C@H](C)Oc2ccccc2F)nc(OC)n1 575604364 XNNBDNULNUOOIY-VIFPVBQESA-N 336.323 1.112 0 40 EDAB Cc1cnccc1C(=O)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585276731 HWRPGMWXWBSOSS-LJQANCHMSA-N 344.386 1.975 0 40 EDAB O=C(Cc1ccccc1F)N1CC(F)(F)C[C@@]2(CCNC2=O)C1 585093261 MGFCLAOFNZMPFS-HNNXBMFYSA-N 326.318 1.742 0 40 EDAB CN[C@@H]1CCCN(S(=O)(=O)c2sccc2Br)C1 53202800 JIIIHIHYIGWIGL-MRVPVSSYSA-N 339.280 1.883 0 40 EDAB CCNC(=O)CNC(=O)CCc1ccc(Br)cc1F 63240550 GRHLYCCKVBXPFM-UHFFFAOYSA-N 331.185 1.773 0 40 EDAB O=C(NCc1ccccc1CO)c1ccc(N2CCNC2=O)cc1 78714360 VWKLWCXRQMCVLS-UHFFFAOYSA-N 325.368 1.639 0 40 EDAB O=C(NC1CC1)c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 36708447 SZHUQBXDZHGSDR-LLVKDONJSA-N 335.385 1.395 0 40 EDAB Fc1ccc(-n2cc(CN3CCC[C@@H](N4CCNCC4)C3)cn2)cc1 97162653 YGBDNNJJTIMCSZ-LJQANCHMSA-N 343.450 1.881 0 40 EDAB CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(=O)n(C)n1 189478584 GDUUZBQSRGJZTN-GOSISDBHSA-N 329.400 1.584 0 40 EDAB O=C(NCc1noc([C@@H]2CCC(=O)N2CC2CC2)n1)c1ccno1 1775964219 XHRLTNPPABEASW-JTQLQIEISA-N 331.332 1.061 0 40 EDAB biogenic,in-vitro CS(=O)(=O)NCCCN[C@@H]1CCc2cc(Br)ccc21 95419595 YICNXBUKBVJTHE-CYBMUJFWSA-N 347.278 1.965 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H]([C@H](F)C(=O)O)C1 1614994491 WJIPTHRPSAFXKC-MFKMUULPSA-N 331.365 1.437 0 40 EDAB COCCC(=O)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 12256896 AHRTWVUNPHGNMU-CQSZACIVSA-N 342.399 1.987 0 40 EDAB CN(C)CC(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12325458 JHYQZFXVYRUCSO-UHFFFAOYSA-N 340.427 1.601 0 40 EDAB CCN(CC)C(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 13678145 VYKCZCUCSFSMHP-AWEZNQCLSA-N 326.418 1.472 0 40 EDAB CCCc1cc(C(=O)NCCn2nc(-c3cccs3)oc2=O)no1 19525381 VZZAIHCIYAEKAE-UHFFFAOYSA-N 348.384 1.935 0 40 EDAB CNc1cc(CCNC(=O)Cc2ccccn2)nc(-c2ccncc2)n1 19592303 ZVUYJZWCXZUVLN-UHFFFAOYSA-N 348.410 1.877 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101679887 GHFKXPLFBDGJND-BETUJISGSA-N 343.383 1.404 0 40 EDAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(C)C)CC2)cc1 23232774 CRYNIBIXTZNWSU-UHFFFAOYSA-N 328.420 1.271 0 40 EDAB Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)[C@H]1CCC[C@@H](N)C1 582526802 ILGQOTUWQFVLAU-QLFBSQMISA-N 336.505 1.907 0 40 EDAB COc1cc(OC)cc(C(=O)NCC2(N3CCOCC3)CCC2)c1 1776009259 YTYKEIQTQBGXHH-UHFFFAOYSA-N 334.416 1.689 0 40 EDAB COc1nccn2c(CNC(=O)c3nc4ccccc4s3)nnc12 238910784 SEJYFIWKVDCMIK-UHFFFAOYSA-N 340.368 1.673 0 40 EDAB CN1CCO[C@H]2CN(C(=O)c3ccnc(C(F)(F)F)c3)CC[C@H]2C1 1565547916 SYERODXAIDWPEC-STQMWFEESA-N 343.349 1.893 0 40 EDAB CCc1ccc(C(=O)N2CC[C@H](OC)[C@@H]2Cc2cnn(C)c2)cn1 1565551707 JNKOQWUQCOUYQN-IRXDYDNUSA-N 328.416 1.850 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCc1nnnn1-c1cccc(F)c1 10593524 UYIWFULYUNWHJI-GFCCVEGCSA-N 341.346 1.885 0 40 EDAB CCOC(=O)C(=O)N1CCN(c2nccn2-c2ccc(C)cc2)CC1 11695652 FIBFJTPVKJNLRN-UHFFFAOYSA-N 342.399 1.392 0 40 EDAB CCOC(=O)CSc1nnc(-c2cn(C)nc2OC)n1CC 12422638 AZCKVFPCPQVAOF-UHFFFAOYSA-N 325.394 1.362 0 40 EDAB COc1ccc([C@H]2c3c(C)n[nH]c3C(=O)N2CC(OC)OC)cc1 15921226 BFLAQFVZTUGFQX-INIZCTEOSA-N 331.372 1.891 0 40 EDAB CCOCCCNC(=O)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055717998 SFCLUECWGGQGSJ-ZDUSSCGKSA-N 348.447 1.271 0 40 EDAB Cc1ccc(NC(=O)C[C@H](NCCCN2CCOCC2)C(=O)O)cc1 22996913 QFGNKSRKTWTDJW-INIZCTEOSA-N 349.431 1.089 0 40 EDAB CN(C)Cc1noc2ccc(NS(=O)(=O)c3cnn(C)c3)cc12 1775969908 RGWCCJFYVJILHW-UHFFFAOYSA-N 335.389 1.424 0 40 EDAB O=S(=O)(c1cccc2ccccc12)N1CC(Cn2ccnn2)C1 1775966690 UFTCVJJDRBZWFQ-UHFFFAOYSA-N 328.397 1.752 0 40 EDAB CCCc1nnsc1C(=O)NC1CCN(c2cnsn2)CC1 575616019 LVPDXRJLWMNLLO-UHFFFAOYSA-N 338.462 1.741 0 40 EDAB CC(=O)OC(C)(C)C(=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 585147245 GGCKFGNPSCUTOM-LBPRGKRZSA-N 325.340 1.327 0 40 EDAB COc1ccc(OC)c(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 40051346 DFFPXWYOQWWWAO-VXGBXAGGSA-N 344.433 1.147 0 40 EDAB Cc1cc(C)n(-c2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)n1 30595572 YGTDXVVYGOHVMV-UHFFFAOYSA-N 348.472 1.566 0 40 EDAB CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O 100131634 CJDRUOGAGYHKKD-WUGYOMQMSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro C[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 40477825 OEZHZZUJZYUIIQ-NSHDSACASA-N 345.852 1.688 0 40 EDAB CC(C)n1nccc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 40473180 QAVYEMKPFORJMV-UHFFFAOYSA-N 343.431 1.930 0 40 EDAB Cc1ccc(Cl)c(OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 40456767 OVOFMWIFNBBPLK-CQSZACIVSA-N 331.821 1.721 0 40 EDAB C[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 40509760 QPABPFJFMVDALX-OLZOCXBDSA-N 346.383 1.058 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCCN(C[C@H]2CCCO2)CC1 40505228 BJXYIKFYNYXDAW-MRXNPFEDSA-N 335.448 1.937 0 40 EDAB CC(C)C(=O)NC1CCN(Cc2nnnn2-c2ccccc2)CC1 40540189 YPPLBBJLFOJKEG-UHFFFAOYSA-N 328.420 1.399 0 40 EDAB NC(=O)[C@@H]1CN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CCO1 51106374 KSYIIZPWYLJGGA-KRWDZBQOSA-N 339.395 1.478 0 40 EDAB Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(-c3ccccc3)cc1)NC(=O)N2 20734981 XOIYOKVRRRSNCC-OAHLLOKOSA-N 348.362 1.965 0 40 EDAB COc1ncc(Cl)c(NCc2cccc(S(N)(=O)=O)c2)n1 91429560 PNULWVQJAPVXPA-UHFFFAOYSA-N 328.781 1.398 0 40 EDAB COC(=O)c1ccc(NC(=O)CSc2nc(O)nnc2C)cc1 11990598 IKKVXRCYVDJHOG-UHFFFAOYSA-N 334.357 1.403 0 40 EDAB COc1cc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc(OC)c1 8392173 PUBVMNIXBGHOBB-UHFFFAOYSA-N 349.387 1.753 0 40 EDAB CC(C)Cn1ccnc1CNS(=O)(=O)c1cccc2nonc12 97052389 ZWYWVTAPVUZTCO-UHFFFAOYSA-N 335.389 1.554 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H](C)Cn2ccnc2)n[nH]1 78986598 SUZHBENMUHYZKM-NSHDSACASA-N 341.419 1.690 0 40 EDAB NC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)c(F)c1 78947152 LKAWAFIOTDZBIM-LDYMZIIASA-N 329.169 1.972 0 40 EDAB CN(C)C(=O)c1cccc(C[S@@](=O)CC(=O)NC2CCCC2)c1 79324699 QVJOKPCSEUYMIV-QHCPKHFHSA-N 336.457 1.696 0 40 EDAB Cc1c(NC(=O)C[C@H](C)CC(=O)O)c(=O)n(-c2ccccc2)n1C 4784808 ZXZVTZSLESCWMA-NSHDSACASA-N 331.372 1.924 0 40 EDAB CCN(CC)c1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1 530561 BADKDBZCJFZYDX-UHFFFAOYSA-N 326.400 1.874 0 40 EDAB COC(=O)c1cccc2c1CCCN2C(=O)CCNC(=O)[C@@H]1C[C@@H]1C 41796811 HBASBPOLIPAKBN-SWLSCSKDSA-N 344.411 1.915 0 40 EDAB CCOc1ccc(N2C(=O)C[C@@H](NCCN3CCCCC3)C2=O)cc1 100594369 DGOSZDQUCOHLRM-QGZVFWFLSA-N 345.443 1.793 0 40 EDAB CCS(=O)(=O)CCn1cc(NC(=O)Cc2ccc(F)cc2)cn1 72291955 YIXFLFAVRBRHGC-UHFFFAOYSA-N 339.392 1.638 0 40 EDAB COc1cccc(CN(C)S(=O)(=O)N2CCN3CCC[C@@H]3C2)c1 72277741 LSCQFXWXMABMRL-OAHLLOKOSA-N 339.461 1.152 0 40 EDAB O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cc2ccccc2cc1O 100572383 INUZZPZUZVKGCF-PYTWLRIVSA-N 348.358 1.997 0 40 EDAB CN(C)c1nc2sc(C(=O)NC[C@H]3COCCO3)cc2s1 54102803 UTGPQFGIVDPUHS-QMMMGPOBSA-N 327.431 1.569 0 40 EDAB O=C(NCc1cnn(-c2ccccc2)c1)c1cccnc1-n1cncn1 42655651 JYQSDOFGXNMQRT-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccnc(-n2cncn2)c1)c1ccsc1 54675919 QLCIQNOWXZMIOV-AWEZNQCLSA-N 342.428 1.757 0 40 EDAB CCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 100301707 KFZJQFDEIOYMBO-GXZLGDFZSA-N 346.412 1.235 0 40 EDAB C[C@H]1c2ccccc2CCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 106684752 QEDXIQCCKZQAKL-ZDUSSCGKSA-N 349.390 1.836 0 40 EDAB CC[C@@H]1CN(CC(=O)N(C)Cc2ccc(C)o2)CCN1C[C@H](C)O 106869343 FCWUPCAUZNQUCL-GOEBONIOSA-N 337.464 1.323 0 40 EDAB CCOC(=O)c1ccc(N2CCCN(CC(=O)NC(C)C)CC2)nc1 25494218 UOUSTTUYTRSULH-UHFFFAOYSA-N 348.447 1.295 0 40 EDAB O=C(c1cc(F)ccc1Br)N1CCN(CCO)CC1 35117538 KCOXMNUWYIMGQW-UHFFFAOYSA-N 331.185 1.338 0 40 EDAB Cc1cccc(C)c1-n1nnnc1CN1CCN(C[C@@H](C)O)[C@@H](C)C1 107497129 WOIMHQWKOAFJBK-JKSUJKDBSA-N 344.463 1.166 0 40 EDAB CC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 57272375 MSCFEJUXIAZJLD-ZDUSSCGKSA-N 339.461 1.607 0 40 EDAB COCCN(Cc1ccco1)C(=O)c1ccc(CNC(N)=O)cc1 25094692 RCNCTMMARVXROS-UHFFFAOYSA-N 331.372 1.737 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc3c([nH]c1=O)CCCC3)C2 72273578 LZDNFWRNKZTSPC-CYBMUJFWSA-N 326.400 1.503 0 40 EDAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccccc1-n1cnnn1 58291909 PACMTGSXEWBJSG-UHFFFAOYSA-N 333.355 1.811 0 40 EDAB CCn1c(=O)n(CC(=O)N(C[C@@H]2CCOC2)C2CC2)c2ccccc21 44941230 ILIVUARZTMWCJM-AWEZNQCLSA-N 343.427 1.850 0 40 EDAB CC(=O)N1CCN(C(=O)NCCc2cnn(-c3ccccc3)c2)CC1 44967602 PXOHSBSCEOPRFS-UHFFFAOYSA-N 341.415 1.289 0 40 EDAB CN(C)C(=O)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 58379565 QQNHODPGXUZJOS-HNNXBMFYSA-N 335.423 1.632 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)[C@@H]1CCCN(c2ncccn2)C1 58356489 QXJWFPXKQXGXQP-UONOGXRCSA-N 333.436 1.114 0 40 EDAB COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1c(C)nn(C)c1Cl 69414856 JLFCBUAEEYYUPI-SECBINFHSA-N 337.829 1.248 0 40 EDAB CCNC(=O)CNC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 69414784 CJFAQBPBQCYWCH-UHFFFAOYSA-N 333.369 1.405 0 40 EDAB COCCn1c(-c2ccncc2)nn(CN2CCOCC2)c1=S 25435852 VITYYOKLEBRNME-UHFFFAOYSA-N 335.433 1.412 0 40 EDAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1C(=O)O 48382989 DSYZKAATCXLPOS-UHFFFAOYSA-N 336.369 1.501 0 40 EDAB CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2nnc(C)o2)c1 48331684 VZIXIQCTSNFPDX-VIFPVBQESA-N 339.373 1.594 0 40 EDAB C[C@H](NC(=O)NCCN1CCOCC1)c1ccc2c(c1)OCCO2 45546778 OPFMNQYDIDFMFC-ZDUSSCGKSA-N 335.404 1.150 0 40 EDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nn1cnc2ccccc21 28819655 FYWDSBNWJCMOKG-UHFFFAOYSA-N 338.323 1.265 0 40 EDAB COc1ccc(CN2C[C@@H]3OCC(=O)N(CC4CCC4)[C@@H]3C2)cc1 67897661 WICFTWZAFADBIY-MSOLQXFVSA-N 330.428 1.907 0 40 EDAB biogenic,in-vitro CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)C3CC3)CC2)cc1 12816603 SAJWAPQPXJLLDY-CYBMUJFWSA-N 343.427 1.770 0 40 EDAB CC[C@H]1CN(C(=O)/C=C/c2ccc(S(=O)(=O)NC)cc2)CCO1 29154337 RSKUSPHCKLHTLJ-MRZGDXHCSA-N 338.429 1.245 0 40 EDAB COc1ccc(CNC(=O)CS(=O)(=O)c2cccs2)cc1 11666446 YBYKJILMBPWCTE-UHFFFAOYSA-N 325.411 1.847 0 40 EDAB CC[C@H]1CN(C(=O)CNc2cc(C(=O)N(C)C)ccc2C)CCO1 69483934 DYMCVZCCLVWKTJ-HNNXBMFYSA-N 333.432 1.746 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C)nc2ccccc12 3521949 ZGMUMYLNAHMQGR-NSHDSACASA-N 329.356 1.934 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)[C@H]1COc3ccccc3C1)C2 69969584 WGNVGSCBYKETDS-CQSZACIVSA-N 326.400 1.995 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1 69952167 SEGIDQODZJIDPO-KRWDZBQOSA-N 341.459 1.707 0 40 EDAB CCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1nc2ccccc2[nH]1 69532461 KTRNBQCMTJGHRZ-CYBMUJFWSA-N 332.429 1.833 0 40 EDAB CCOc1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 69569625 MPTSDTIRBJMCIM-QGZVFWFLSA-N 345.443 1.640 0 40 EDAB CC(=O)c1cccc(NC(=O)Cn2c(-c3ccccn3)noc2=O)c1 69531289 GPRXZPBRKLMQBS-UHFFFAOYSA-N 338.323 1.740 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2ccccn2)C1=O 69528099 LPKKWSJXVFVSRF-YVEFUNNKSA-N 330.388 1.250 0 40 EDAB O=c1ccccn1CCN1CCN(C[C@@H](O)c2ccccc2)CC1 69624521 GDNQSNFHAJBLQF-GOSISDBHSA-N 327.428 1.200 0 40 EDAB CCCCS(=O)(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 69632108 JHWVGSIQUJCWCM-CQSZACIVSA-N 345.509 1.181 0 40 EDAB CC(=O)NCCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 6158704 HMMLCKKJAIFDSS-UHFFFAOYSA-N 346.452 1.886 0 40 EDAB OCCN(CCO)Cc1nc2ccccc2n1Cc1ccccc1 13815526 JZSBFTAVGWPFCP-UHFFFAOYSA-N 325.412 1.871 0 40 EDAB Cc1cc(C)n(C[C@@H](C)NC(=O)c2sc(-c3nc[nH]n3)nc2C)n1 69816498 KOIPRGNEXYKGOS-SECBINFHSA-N 345.432 1.868 0 40 EDAB CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1CCCn2ncnc21 69843421 QAWWOCVDEWOWEC-LLVKDONJSA-N 337.449 1.353 0 40 EDAB CC(C)c1ccc(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 4333209 LAASIBQUNIZNMP-CQSZACIVSA-N 325.430 1.834 0 40 EDAB COC(=O)N1CCCN(C(=O)C(=O)Nc2cc(C)ccc2OC)CC1 69894411 DKLDWSDFDMVBCZ-UHFFFAOYSA-N 349.387 1.243 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)c1nncn1C)CC2 65452173 SGYDOVPTSFXDSZ-NSHDSACASA-N 345.403 1.661 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)N2CC(Oc3ccccc3)C2)cc1 65515473 PTQSEOWXFATNRJ-UHFFFAOYSA-N 347.396 1.629 0 40 EDAB Cc1ccc(SCC(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)cc1 65550558 BSEYYEQPGDEBNU-MRXNPFEDSA-N 348.468 1.937 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2c(F)cccc2F)NC(=O)N1 5517331 KOBIYMRPERWQMP-CQSZACIVSA-N 337.326 1.452 0 40 EDAB Cn1cc(/C=C/C(=O)OCCCn2nnc(-c3ccccc3)n2)cn1 66734953 BJLRZZZMWKSWRP-CMDGGOBGSA-N 338.371 1.720 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cn1 66798098 AGNXOELRKMRCIK-UONOGXRCSA-N 325.372 1.906 0 40 EDAB Cc1ccc(-n2cc(C(=O)N3CCC(C(N)=O)CC3)nn2)cc1C 67263018 CLXLEMPOORRZDI-UHFFFAOYSA-N 327.388 1.222 0 40 EDAB COC(=O)C1(NC(=O)CN2C(=O)CCCc3ccccc32)CCCC1 71186254 QSGGPIWONZENDM-UHFFFAOYSA-N 344.411 1.958 0 40 EDAB C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc([S@](C)=O)cc1 90018519 UIXBMWGHNVUKCC-OBZIZEEHSA-N 346.456 1.614 0 40 EDAB CC[C@@H](C)N1C(=O)NC(=O)[C@]2(Cc3cc(C)ccc3N(C)C2)C1=O 9090157 IBGOIZARVOXICO-KZULUSFZSA-N 329.400 1.851 0 40 EDAB O=C(CCN1Cc2ccccc2C1=O)Nc1ccc2nc[nH]c(=O)c2c1 96117015 PNGJSCBQCWNLMW-UHFFFAOYSA-N 348.362 1.908 0 40 EDAB NC(=O)NC(=O)CCCSc1nnc(Cc2ccccc2F)o1 67954469 UPSOMXAAYXKLAV-UHFFFAOYSA-N 338.364 1.867 0 40 EDAB CCCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 16023882 QXLHUWFIKMKEAY-UHFFFAOYSA-N 340.445 1.628 0 40 EDAB COc1ccc(C2=CSC3=NS(=O)(=O)CCN23)c(OC)c1 7777881 RBEXVZAGVLUIQS-UHFFFAOYSA-N 326.399 1.750 0 40 EDAB CCNC(=O)Cc1ccc(NC(=O)Nc2cnn(CCO)c2)cc1 69258972 LRLPRZZCYRLRNV-UHFFFAOYSA-N 331.376 1.198 0 40 EDAB COCCNC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCOC2)cc1 70012015 GFCSCEVNKGSLMT-LBPRGKRZSA-N 342.417 1.265 0 40 EDAB O=C(NCCNC(=O)C1CCCC1)N[C@@H]1CCN(c2ccccc2)C1 72270209 VUEUZGDCJBWGQW-MRXNPFEDSA-N 344.459 1.871 0 40 EDAB CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(Cc2nc(C3CC3)no2)C1 84259243 JWRSUIAWCIOPOV-AWEZNQCLSA-N 345.403 1.866 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)c(C)c2)CC1 71857007 SWCKKHYWYXKLGQ-UHFFFAOYSA-N 341.433 1.503 0 40 EDAB Cc1cccc(NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)n1 97142756 WQYOZDVTHIEYOU-UHFFFAOYSA-N 328.420 1.863 0 40 EDAB C[C@@H]1COCCN1S(=O)(=O)c1ccc(N2CCOC2=O)cc1 71920967 QDIKHMREQKENBR-LLVKDONJSA-N 326.374 1.053 0 40 EDAB CS(=O)(=O)NCC(=O)N1CCC[C@@H]1Cc1cccc2ccccc12 83987498 IYOQGLRMTMBQKB-MRXNPFEDSA-N 346.452 1.923 0 40 EDAB C[C@@H](C(=O)Nc1nnc(C2CC2)s1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 97212958 OELFXUVMDHGKKB-LSJOCFKGSA-N 346.412 1.694 0 40 EDAB COCCCN(Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 97473014 PSGWTNWZGNPREQ-OAHLLOKOSA-N 327.446 1.721 0 40 EDAB Cn1ccc(S(=O)(=O)NCCNC(=O)c2cccc(F)c2F)c1 95434599 XXRAQIFRIGODLO-UHFFFAOYSA-N 343.355 1.012 0 40 EDAB Cn1ccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)c1 95445925 NVAZQFCXCCVXCX-UHFFFAOYSA-N 326.278 1.694 0 40 EDAB O=C(COCCOc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O 95424033 SKKWAXCHUQATKD-QGZVFWFLSA-N 343.379 1.894 0 40 EDAB Cc1cnc(NCCC(=O)N2CCN(c3ccccn3)CC2)nc1C 95449330 ZPZUWJAXKPLGAG-UHFFFAOYSA-N 340.431 1.639 0 40 EDAB Cc1cnn(CCCNC(=O)N2CCC[C@@H]2CN2CCOCC2)c1 73946605 YZZLDDAOSOHQAE-MRXNPFEDSA-N 335.452 1.088 0 40 EDAB O=C(Nc1cccn(Cc2ccccc2)c1=O)N1CCC[C@@H](O)C1 88428541 KDFHAXYXRAGASH-OAHLLOKOSA-N 327.384 1.885 0 40 EDAB O=C(NC[C@H](O)COCC1CC1)NC[C@@H]1C[C@@]12CCc1ccccc12 88619462 UKZPPPIKHZHZCN-ZWOKBUDYSA-N 344.455 1.977 0 40 EDAB O=C(Nc1nc[nH]n1)c1ncc(Br)cc1Br 95940213 YXHOZZISJJXFKO-UHFFFAOYSA-N 346.970 1.977 0 40 EDAB CCCS(=O)(=O)NC1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1 95987174 ZSKNPZROEYAQKP-SJORKVTESA-N 338.473 1.439 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)n1nc(-c2ccco2)oc1=O 95990789 NBTHHMDICGCRNR-SNVBAGLBSA-N 331.332 1.646 0 40 EDAB CCOC(=O)[C@](C)(O)CNC(=O)c1ccc(-n2nc(C)cc2C)cc1 95942030 BBLRRXGNBJQGIK-GOSISDBHSA-N 345.399 1.533 0 40 EDAB Cc1cc(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)no1 74424001 XPALEVSIEMONRH-UHFFFAOYSA-N 327.384 1.947 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@H](c2ccco2)N(C)C)c(=O)[nH]1 75111059 YLKOAEYTTOELMC-CQSZACIVSA-N 332.404 1.687 0 40 EDAB Cc1cc(C)c(C(=O)Nc2ccc(N3CCOCC3)cn2)c(=O)[nH]1 75134519 WIIXFLQYKGZFON-UHFFFAOYSA-N 328.372 1.476 0 40 EDAB CC(C)n1ncc2cc(NC(=O)N[C@H]3CCCCNC3=O)cnc21 89893888 ZOCXOZLAGQTRTA-ZDUSSCGKSA-N 330.392 1.802 0 40 EDAB C[C@@H]1CCCN(C(=O)CN2CCNC(=O)C[C@@H]2c2ccccc2)C1 89929780 GFONCJXYWJNBFF-NVXWUHKLSA-N 329.444 1.808 0 40 EDAB Cc1nc([C@H]2CCCN2CCNS(=O)(=O)c2ccccc2)no1 75573087 JMEUTHQAFZDNCR-CQSZACIVSA-N 336.417 1.493 0 40 EDAB NC(=O)[C@@H]1CCO[C@H]1C1CCN(c2ccnc3ccncc23)CC1 1548370833 VUEVYCOVAZTRGB-DYVFJYSZSA-N 326.400 1.737 0 40 EDAB OCC(F)(F)CN1CCN(c2nc(C3CC3)nc3c2CCC3)CC1 1548491071 NLVVHWNEMCNZGP-UHFFFAOYSA-N 338.402 1.592 0 40 EDAB Cn1nc(C(=O)N2CC3(CCOCC3)CC[C@@H]2CO)c2ccccc21 1548441497 QPIDNSJMFSHJCJ-CQSZACIVSA-N 343.427 1.967 0 40 EDAB NC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 504220873 KASQXRZPOXJHEQ-DOPJRALCSA-N 332.400 1.569 0 40 EDAB biogenic CCSc1nnc(Sc2nc(NN)nc(N(C)C)n2)s1 524734638 XLWPIIGJLITLFY-UHFFFAOYSA-N 330.468 1.338 0 40 EDAB Cc1ccsc1CN1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1 72347461 ZJBXHLSTIDDBKV-UHFFFAOYSA-N 346.456 1.535 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cnc(OC)c(Cl)c2)C1 536569271 RNWXHQFPTQOQQS-NSHDSACASA-N 333.841 1.257 0 40 EDAB O=C(NC[C@H](O)C1CCOCC1)c1ccc(Br)cc1 77049116 TYHQQXWLEWGETD-ZDUSSCGKSA-N 328.206 1.966 0 40 EDAB CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2ccco2)ccc1=O)C(=O)O 71333328 BBBVXZXLSIMQOB-BONVTDFDSA-N 333.344 1.119 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2)C1 78602870 NKTMVQCKWKSDAJ-AWEZNQCLSA-N 339.823 1.506 0 40 EDAB C[C@H](C(=O)NCCc1nnc2ccccn12)N1CCc2ccccc2C1 78926406 CXFKSNZFFGGUIP-OAHLLOKOSA-N 349.438 1.835 0 40 EDAB CCOC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CO)cc(=O)c1O 71279708 VDMUMCXQCSDPIV-CQSZACIVSA-N 348.351 1.931 0 40 EDAB Cc1cccc(CC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)c1 217719958 HAVXUZKQOBLFQX-CALCHBBNSA-N 338.407 1.700 0 40 EDAB Fc1ccccc1COC1CN(c2ncnc3c2CCNCC3)C1 72474119 XEJNQYLDQPAINA-UHFFFAOYSA-N 328.391 1.709 0 40 EDAB Cc1nc(CCC(=O)NCc2ccccn2)cc([C@H]2CCCNC2)n1 72366969 ZWAKPFRBJUCGSX-HNNXBMFYSA-N 339.443 1.896 0 40 EDAB CSCC[C@@H](NC(=O)[C@H]1CCC(=O)NC1)c1nc2ccccc2[nH]1 40543640 QBFGZKGTSQCDHL-SMDDNHRTSA-N 346.456 2.000 0 40 EDAB Cn1cc(C(=O)N(Cc2ccsc2)[C@H]2CC23CCNCC3)nn1 567159993 ARHWRANHRVGBJF-AWEZNQCLSA-N 331.445 1.661 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCC[C@@H](Oc2cnccn2)C1 225477519 BJCLLTDPFPVIKZ-CYBMUJFWSA-N 349.412 1.717 0 40 EDAB C[C@@H](O)CN(C)C(=O)Cc1ccc(I)cc1 190999566 QKGVEKXRLCPBJE-SECBINFHSA-N 333.169 1.673 0 40 EDAB COC(=O)c1ccc(CN2CC(c3nc(-c4cnccn4)no3)C2)o1 49485906 FDIXPOBVXCJUIF-UHFFFAOYSA-N 341.327 1.506 0 40 EDAB O=C(Cn1cc(COc2ccccc2F)nn1)Nc1nncs1 227162956 WKAFXMLTCMJRDK-UHFFFAOYSA-N 334.336 1.486 0 40 EDAB COc1cccc(N(C)C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 222558738 IYFGGCURRWJVOX-GFCCVEGCSA-N 326.418 1.330 0 40 EDAB NC(=O)c1cncc(N2CCN(Cc3ccc(Cl)s3)CC2)n1 80777912 JXUBNAHWTZSJCT-UHFFFAOYSA-N 337.836 1.613 0 40 EDAB C[C@@H](C(=O)NCc1nnc2c(C(F)(F)F)cccn12)n1cccn1 225809271 FDWATKXARPHWPS-VIFPVBQESA-N 338.293 1.822 0 40 EDAB O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(Cc1ccco1)C2 96218370 ANJAFBVAOFCZPX-KBXCAEBGSA-N 327.384 1.692 0 40 EDAB c1cc(CN2CCO[C@@H]3CN(C[C@@H]4CCOC4)CC[C@@H]3C2)ccn1 96249719 XHDGHYDWPODJRO-IPMKNSEASA-N 331.460 1.641 0 40 EDAB O=C1OCc2cc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)ccc21 95476513 CCBNEZHMKXDQDP-NSHDSACASA-N 340.335 1.937 0 40 EDAB CN(CC1CCC1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 96405421 ODJKVEZMNABJCN-UHFFFAOYSA-N 328.420 1.599 0 40 EDAB C[C@@H]1CN(C[C@@H]2CCOC2)C[C@]12CCN(Cc1cccnc1)C2=O 96201731 FHDVCRWSNLYUQN-HHXXYDBFSA-N 329.444 1.789 0 40 EDAB CN1CCN2[C@@H](C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@]2(C)CO 514289166 IZNURONEVFBCOU-RDJZCZTQSA-N 337.851 1.163 0 40 EDAB biogenic,in-vitro Cc1n[nH]c(-c2ccc(F)cc2)c1CC(=O)NCCN1CCOCC1 95475411 QKLRQDHZXRBCJC-UHFFFAOYSA-N 346.406 1.515 0 40 EDAB Cn1cc(CN2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)cn1 96062423 KBJNUIPOSUPNHB-QGZVFWFLSA-N 347.488 1.601 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Nc2ncnc(Cl)c2N)C1 95097786 AMFSNMRMWKMCTH-YUMQZZPRSA-N 329.788 1.104 0 40 EDAB CN1CC2(CCN(C(=O)c3ccnn3C)CC2)C[C@H]1COCC1CC1 96207194 DHVCQKSUESYQBW-INIZCTEOSA-N 346.475 1.773 0 40 EDAB O=S(=O)(NCCc1nncn1C1CC1)c1cc(F)c(F)c(F)c1 96428086 WLPKRVXVSFHVKY-UHFFFAOYSA-N 346.334 1.551 0 40 EDAB CC(C)n1cc([C@]2(O)CCCN(Cc3ncnn3C(C)(C)C)C2)nn1 583614644 HCMWTTDQUZYDEE-KRWDZBQOSA-N 347.467 1.689 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1F)c1cccc(-n2cccn2)n1 96445853 WPISUKBSNNWQED-OAHLLOKOSA-N 326.331 1.870 0 40 EDAB O=C(CC1CC1)NCc1cn2c(n1)CN(C(=O)c1cccnc1)CC2 96059451 BVTSXWPQFLHNEE-UHFFFAOYSA-N 339.399 1.350 0 40 EDAB O=C([C@H]1CCCOC1)N1CCN(c2nncc3ccccc23)CC1 96443703 OVPYTYUPGMFWNL-HNNXBMFYSA-N 326.400 1.705 0 40 EDAB CCc1nnc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)o1 96491203 PLQIGXKFGXLZTD-WDEREUQCSA-N 338.433 1.952 0 40 EDAB Cc1cc(C(=O)N2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)no1 96185051 BAYURZCKJPGKBT-IMJJTQAJSA-N 336.388 1.266 0 40 EDAB Cn1cc(CN2CCC[C@@]3(COCCN(c4cccnc4)C3)C2)cn1 96049545 NUTCNCMMTXWQJM-LJQANCHMSA-N 341.459 1.934 0 40 EDAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 347458914 RYERPTARPPIRQF-UHFFFAOYSA-N 326.418 1.421 0 40 EDAB CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(Cc1nccs1)C2 247948320 BOALMLXOJULREI-NSHDSACASA-N 327.475 1.308 0 40 EDAB O=C(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1nccc2ccccc12 257330842 XQGFNAUXLBIZOJ-JFIYKMOQSA-N 325.412 1.952 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2cccn2C)CC1 257299514 RQKCMPZXOCBAHW-UHFFFAOYSA-N 341.415 1.471 0 40 EDAB CN(c1ccn(C)n1)S(=O)(=O)c1cccnc1OCC(F)F 585086417 XJXKADZVIHXVIO-UHFFFAOYSA-N 332.332 1.284 0 40 EDAB CCOC(=O)c1cn(CCNc2cc(C(F)(F)F)cnn2)cn1 585093001 XWIMJOALVFYWAQ-UHFFFAOYSA-N 329.282 1.981 0 40 EDAB CC(=O)NCC(=O)N1CCOC[C@@H](Cc2ccc3c(ccn3C)c2)C1 257289988 QBAAAPVXSXAKSV-INIZCTEOSA-N 343.427 1.332 0 40 EDAB CC(C)=CC(=O)N1CCN(C(=O)C=C(C)C)[C@H](c2n[nH]c(C)n2)C1 585087614 UTEAFYSFPYVVFU-AWEZNQCLSA-N 331.420 1.757 0 40 EDAB Cc1ccnc([C@@H]2CN(Cc3cccc(OCCO)c3)CCO2)n1 257328969 XHVHEQWTKYZFTH-KRWDZBQOSA-N 329.400 1.730 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H](CO)c2ccccc2)C1 585101448 QRZYNBOMZXFFPO-SJORKVTESA-N 330.428 1.527 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCCN32)C1 585122074 MIODZXHAJMHIIG-BRWVUGGUSA-N 333.476 1.768 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257202910 ANWPBWSQRCIQTQ-MRXNPFEDSA-N 343.431 1.724 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)c2cscn2)n1 257331876 XUQQNFZDCRXHRO-ZDUSSCGKSA-N 331.401 1.547 0 40 EDAB COCc1c(C(=O)N2CCO[C@H](c3nc(C)cc(C)n3)C2)noc1C 257261267 LGMBVAMLCICMJG-AWEZNQCLSA-N 346.387 1.750 0 40 EDAB CN(C(=O)CCc1ccccc1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257280952 ONBINKDCKNTFQY-QWFCFKBJSA-N 346.471 1.692 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CN(Cc3cccc(F)c3)CCO2)n1 257334511 YGGFRGJXSCVVGU-QGZVFWFLSA-N 344.390 1.825 0 40 EDAB CN(c1ccc(F)cc1)[C@@H]1COC2(CCN(S(C)(=O)=O)CC2)C1 257226770 FMBBDWJIYFIAAW-HNNXBMFYSA-N 342.436 1.845 0 40 EDAB Cc1cc(CC[C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)ncn1 257212124 CCARWNXNZXLHEF-MRXNPFEDSA-N 347.440 1.807 0 40 EDAB Cc1cc(C(=O)Nc2ccn(CC(=O)O)n2)nc(C(F)(F)F)n1 263091000 HVNUUBQLOVDOHM-UHFFFAOYSA-N 329.238 1.337 0 40 EDAB Cc1cc(OC2CN(C(=O)Cc3cccs3)C2)n2ncnc2n1 618256026 NAWRPORDGFGHPO-UHFFFAOYSA-N 329.385 1.327 0 40 EDAB C[C@H](C[S@@](C)=O)N(C)C(=O)Nc1nnc([C@@H]2CCCO2)s1 603161770 DHBDFLHEPXMVFM-HORACTTISA-N 332.451 1.620 0 40 EDAB Cc1cccc2c1OC[C@@H](NC(=O)NCC1CCN(CCO)CC1)C2 1615540746 MRBZPUPSEGQKLM-KRWDZBQOSA-N 347.459 1.302 0 40 EDAB CN1c2ccc(NC(=O)c3cncc(F)c3)cc2N(C)S1(=O)=O 390830977 OSLZTKBELWTBDT-UHFFFAOYSA-N 336.348 1.604 0 40 EDAB Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)o1 43722726 IHOXDCAWMRBAHC-RYUDHWBXSA-N 329.422 1.372 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](C(=O)NCc2cccs2)C1 575406015 WQOSCJWVAKVRRW-DFBGVHRSSA-N 344.440 1.800 0 40 EDAB COC[C@]1(CC(=O)N(C)C)CN(Cc2c[nH]c3ccccc23)CCO1 585278593 UZMNMZPOELXQAQ-IBGZPJMESA-N 345.443 1.864 0 40 EDAB Cc1cc(CN2CCn3c(COCC4CC4)nnc3C[C@@H]2C)n(C)n1 585096818 BDVPNNMSCLIUNR-AWEZNQCLSA-N 344.463 1.693 0 40 EDAB CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1cncs1 585182039 QWHZQNUGEPRJEO-NSHDSACASA-N 326.447 1.997 0 40 EDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 585110745 QNZQUODENVGJSC-FCEWJHQRSA-N 346.427 1.552 0 40 EDAB Cc1cc(F)ccc1CC(=O)N1CC2(C[C@H](CO)CN2CC2CC2)C1 585093872 LUOXUWPFXFGCBD-INIZCTEOSA-N 346.446 1.982 0 40 EDAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCc2nc(C3CC3)no2)C1 69588835 KZCINTOSBXAIGV-GFCCVEGCSA-N 349.435 1.641 0 40 EDAB CC(C)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc(-c3ccccc3)cn2)[C@H]1O 952844632 CNSRFUGWAUABGR-HSFUPAIVSA-N 329.400 1.574 0 40 EDAB biogenic,in-vitro Cn1cc(N2CCC[C@@H](NC(=O)c3c(O)cc(F)cc3F)C2)cn1 98014558 LTUXRESXPQYUJF-LLVKDONJSA-N 336.342 1.803 0 40 EDAB CN(C)[S@@](C)(=O)=NS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 1616031117 JWUAYPRWYHWEIM-FQEVSTJZSA-N 332.447 1.663 0 40 EDAB CC(=O)c1sc(C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)nc1C 12750383 PRFYZFKMXCPCND-CYBMUJFWSA-N 349.456 1.838 0 40 EDAB O=C(C[C@H]1C=CCC1)NCCn1nc([C@H]2CCNC2)c2nccnc21 19404455 MFAMTUZWEJBYPE-KBPBESRZSA-N 340.431 1.376 0 40 EDAB COc1ccc2c(c1)CN(C(=O)[C@@H](C)N)C[C@@]1(CCCN(C)CC1)O2 12365989 URFXQMZFAOMRKB-KUHUBIRLSA-N 347.459 1.618 0 40 EDAB NC(=O)C1CCN(C(=O)COC(=O)c2c(F)cccc2Cl)CC1 5872732 ZLDFUXCHQMUBOU-UHFFFAOYSA-N 342.754 1.360 0 40 EDAB CC(C)C(=O)NCCNC(=O)CCCn1cnc2ccccc2c1=O 21974250 PWQIBMXIIADSRL-UHFFFAOYSA-N 344.415 1.065 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)NC4CCCCC4)CC3)ncnc21 26704572 KITQLUASMJVIRK-UHFFFAOYSA-N 343.435 1.528 0 40 EDAB Cn1cnc(S(=O)(=O)NCCc2ccc3c(c2)OCO3)c1Cl 27960099 DSFHDRGAQAWDJM-UHFFFAOYSA-N 343.792 1.323 0 40 EDAB COCC(=O)N1CCC[C@H](COc2ncc(Br)cn2)C1 1776001379 PYEHGLACPVDQMV-JTQLQIEISA-N 344.209 1.503 0 40 EDAB COC(=O)[C@@H](NC(=O)c1ccnc(OC2CCOCC2)c1)C(C)C 239611711 FBHDFSKOFMBQBZ-HNNXBMFYSA-N 336.388 1.567 0 40 EDAB COc1cccc2cc(C(=O)N[C@H]3CCc4n[nH]c(=O)cc4C3)oc12 252536188 HUUXYVHBVLILSB-LBPRGKRZSA-N 339.351 1.812 0 40 EDAB O=C(c1csnn1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1074309811 LQBFPUFINORZBA-GJZGRUSLSA-N 345.428 1.049 0 40 EDAB COc1cc(OC)nc(N2CCC(Oc3nc(C)cnc3C)CC2)n1 2087132261 BQPVDEDVDPBGDO-UHFFFAOYSA-N 345.403 1.948 0 40 EDAB CC(C)N(C)CC(=O)N1CCC[C@]2(C[C@H](Nc3cnccn3)CO2)C1 1565551773 KKALWADTLITCNX-YJBOKZPZSA-N 347.463 1.379 0 40 EDAB O=C(N1CCCn2nnc(COc3ccccn3)c2C1)C1(F)CCC1 1565548299 XIQWPJKUHHQCBW-UHFFFAOYSA-N 345.378 1.877 0 40 EDAB CCCC(=O)Nc1nnc(SCC(=O)NC[C@@H]2CCCO2)s1 4328626 NYSXHXDSEZXKFL-VIFPVBQESA-N 344.462 1.664 0 40 EDAB CN(CC(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1)S(C)(=O)=O 206671558 HKZPGFXCRGONKM-CQSZACIVSA-N 342.436 1.813 0 40 EDAB O=C(NCCN1CCN(C(=O)c2ccco2)CC1)c1ccsc1 42383073 IXBVMGTYDSXUCZ-UHFFFAOYSA-N 333.413 1.529 0 40 EDAB COc1ccc(S(=O)(=O)NCC2(OCCO)CCCC2)cc1F 952964912 QCZKIBIAKXDUNN-UHFFFAOYSA-N 347.408 1.434 0 40 EDAB C[C@@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 40005247 AEHBNUMTPYMOML-CHWSQXEVSA-N 346.412 1.393 0 40 EDAB COc1ccc(CN(C)S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1F 40488025 PGSLYFLHYYFAFN-RYUDHWBXSA-N 346.424 1.620 0 40 EDAB O=C(CN1C(=O)CN(c2ccccc2)C1=O)NCc1cccs1 40554072 TYQTVMATBDYZTL-UHFFFAOYSA-N 329.381 1.833 0 40 EDAB NS(=O)(=O)c1ccc(OCC(=O)N2CCCc3ccccc32)cc1 40512959 RSZWVVAWRSTFPE-UHFFFAOYSA-N 346.408 1.692 0 40 EDAB Cc1cccc(OCC(=O)N2CCCN(Cc3nccn3C)CC2)c1 69946777 NZNKPTBUUSCNBH-UHFFFAOYSA-N 342.443 1.842 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3cnc(C)cn3)CC2)cc1 32747630 DKGGTYANXVZPEP-UHFFFAOYSA-N 326.400 1.752 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(N2CCCCC2=O)cc1 32787519 PESRZDOXRIXQMW-CYBMUJFWSA-N 331.416 1.848 0 40 EDAB CCn1nnc2cc(C(=O)N3CCO[C@@H](c4nc(C)n[nH]4)C3)ccc21 76045011 WXERTKTVYKVRPQ-CQSZACIVSA-N 341.375 1.091 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)C[C@@H]1N1CCOCC1 76054862 ADRAXMSXDBPEKS-OIISXLGYSA-N 330.428 1.417 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CSCN2C(C)=O)C1 69919376 OIEZCQXKIWFESK-KBPBESRZSA-N 336.461 1.530 0 40 EDAB CCCCn1nc(C(=O)NCc2ccc(OC)c(OC)c2)ccc1=O 32958671 HDMQFPGAEBAPSR-UHFFFAOYSA-N 345.399 1.991 0 40 EDAB COC(=O)CNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cn1N 21824698 LVWRZAZDDKWELT-SNVBAGLBSA-N 334.401 1.034 0 40 EDAB Cn1cc(CCNC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cn1 46953577 HNAWBCUWNJMXAH-LBPRGKRZSA-N 333.358 1.146 0 40 EDAB Cc1nc(C[C@H]2CCCN(c3ncnc4nc(N)ccc34)C2)no1 97047808 OJVDGFIEHVUXHB-LLVKDONJSA-N 325.376 1.758 0 40 EDAB O=C(NCCNC(=O)c1cccs1)c1nc(-c2ccccc2)no1 12377033 ISHUZAWYPXJVBU-UHFFFAOYSA-N 342.380 1.958 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CCCN(CC(N)=O)CC3)cc2c1C 47342688 HSRIKQOZRYYEGL-UHFFFAOYSA-N 328.416 1.418 0 40 EDAB C=C1c2ccccc2C(=O)N1CC(=O)NCC(C)(C)N1CCOCC1 41796803 HEUHCSBWNPESJT-UHFFFAOYSA-N 343.427 1.340 0 40 EDAB CNC(=O)c1ccc(NC(=O)NCC(=O)NCC(F)(F)F)c(C)c1 47541304 DONUDCSBKVVXTN-UHFFFAOYSA-N 346.309 1.155 0 40 EDAB COc1ccccc1CC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 47635847 GNUONGBVKUMFIW-IAGOWNOFSA-N 348.443 1.091 0 40 EDAB C[C@@]1(NC(=O)CCc2cnn(-c3ccccc3)c2)CCS(=O)(=O)C1 22551673 HLLXKVGVRZLIBD-QGZVFWFLSA-N 347.440 1.498 0 40 EDAB O=C(c1nnc2sc(-c3ccccc3Cl)nn12)N1CCOCC1 57354658 MVMRAKNVZXRNCU-UHFFFAOYSA-N 349.803 1.979 0 40 EDAB CC(=O)N1CC[C@@H](n2c(C)cs/c2=N\c2ccc(C(N)=O)cc2)C1 104273254 SJZINBAJNIQFGV-KIJUOZEOSA-N 344.440 1.983 0 40 EDAB O=C(Cc1ccsc1)N1C[C@H](N2CCOCC2)[C@@H]2OCCC[C@@H]21 107204067 IAALJDAOVDYTOM-YQQAZPJKSA-N 336.457 1.381 0 40 EDAB Cc1nc2cc([C@@H]3CCCN(C(=O)[C@H]4CCCO4)C3)nn2c(O)c1C 100137633 GIONLQRCWMTMPB-UKRRQHHQSA-N 344.415 1.937 0 40 EDAB O=C(COc1ccccc1O)N1CCN(C(=O)c2ccco2)CC1 3242628 FIDZJQYCKREBII-UHFFFAOYSA-N 330.340 1.349 0 40 EDAB O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCO[C@H]2CCC[C@H]21 56197141 FJMXGYVWVBJQMW-CABCVRRESA-N 331.347 1.316 0 40 EDAB CCOC(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 57478038 LKRLSCYKXJYRKH-UHFFFAOYSA-N 328.328 1.626 0 40 EDAB Cc1cc(C(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)n(C)n1 119289061 PYBDXPOKFJUWPG-CQSZACIVSA-N 339.461 1.691 0 40 EDAB CN1CCN([C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)O)CC1 22466381 HBJQLUKGAPERKQ-CYBMUJFWSA-N 325.796 1.369 0 40 EDAB CC(C)N1C(=O)C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1=O 102688201 VANFHFQTFVDMRS-AWEZNQCLSA-N 331.347 1.502 0 40 EDAB O=C(Nc1ccnc2ccnn12)[C@@H]1CC(=O)N(Cc2ccccn2)C1 108715114 QPIACMDVNZNLJT-GFCCVEGCSA-N 336.355 1.112 0 40 EDAB O=C(NCc1ccccc1)[C@@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]1O2 107264956 TYNLKEBODOYVJT-IPMKNSEASA-N 337.423 1.987 0 40 EDAB CCCCNC(=O)c1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)cc1 58162617 CHPHCPJQBJXMGZ-LBPRGKRZSA-N 340.445 1.266 0 40 EDAB NC(=O)[C@H]1CC(C(=O)NCc2cccs2)=NN1c1ccc(F)cc1 29281521 DSUSVAJFMSXNAE-CQSZACIVSA-N 346.387 1.624 0 40 EDAB COc1cccc(CC(=O)N2CCN(C(=O)C[C@H]3CCCO3)CC2)c1 58210732 RBEKRDHJGHVDMT-QGZVFWFLSA-N 346.427 1.478 0 40 EDAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c1O 3300737 JRVQBSJTULAVMY-UHFFFAOYSA-N 328.324 1.595 0 40 EDAB O=C(Cn1nc(-c2ccccc2)oc1=O)N(C[C@H]1CCOC1)C1CC1 44941120 VGAWNZIZUKRWKD-CYBMUJFWSA-N 343.383 1.531 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)NCCCN(C)S(C)(=O)=O 44935322 BEVDYBXSYNIQCF-LBPRGKRZSA-N 325.434 1.429 0 40 EDAB CC(C)CCC[C@H](C)NC(=O)CCn1cc(S(N)(=O)=O)cn1 58344406 VXNUYCJCVXOMAS-LBPRGKRZSA-N 330.454 1.252 0 40 EDAB COc1cccc(CC(=O)N2CCN(Cc3cc(C)on3)CC2)c1 58324243 PCANOIOLKFNROC-UHFFFAOYSA-N 329.400 1.879 0 40 EDAB COCc1cccc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c1 58344259 IHDVWLYEVVBAPQ-UHFFFAOYSA-N 340.445 1.329 0 40 EDAB CC(C)[C@@H](CNS(=O)(=O)c1cccc(F)c1)N1CCOCC1 12735063 WMMUTWWMUSFJJS-OAHLLOKOSA-N 330.425 1.461 0 40 EDAB CC(C)(CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc2c(c1)OCO2 58757610 GJJCBFSNHOEYOB-LBPRGKRZSA-N 344.411 1.820 0 40 EDAB Cc1cc(C)cc(C2(C(=O)N3CCN(CC[S@](C)=O)CC3)CC2)c1 72294442 IJMMYDDHTNMJIY-XMMPIXPASA-N 348.512 1.858 0 40 EDAB O=C(CS(=O)(=O)C[C@@H]1CCCO1)N[C@H]1CCCc2ccccc21 45359668 JICRCWWQRCDXBS-HOCLYGCPSA-N 337.441 1.774 0 40 EDAB Cc1nc(CNC(=O)NCc2ccnc(N3CCOCC3)c2)cs1 45342852 FJIKDLYVFNHSBA-UHFFFAOYSA-N 347.444 1.683 0 40 EDAB O=C(CN1CCN(c2ncnc3ccsc23)CC1)N1CCCC1 28623708 GRNLFKMBLIYJTP-UHFFFAOYSA-N 331.445 1.436 0 40 EDAB COc1cccc(CN(C)C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 45654919 UZYOGAXWXOSZRU-CYBMUJFWSA-N 326.418 1.271 0 40 EDAB COc1ccc(NC(=O)CCc2n[nH]c(=S)[nH]c2=O)cc1OC 11406489 ZRXWICAUPYWQGB-UHFFFAOYSA-N 336.373 1.416 0 40 EDAB COCc1nnc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)s1 59745236 NEDQXHLVBIIJIK-SECBINFHSA-N 327.410 1.017 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1 3448885 PYIVPHJGLSBWMZ-GFCCVEGCSA-N 349.412 1.647 0 40 EDAB COc1ccccc1CCNC(=O)c1ccc(CNC(N)=O)cc1 12974987 VLHZTICUVQAHBF-UHFFFAOYSA-N 327.384 1.836 0 40 EDAB Cn1c([C@@H]2CCCN2C(=O)CN2CSCC2=O)nc2ccccc21 71839186 OIEJRHHMLFGYCV-AWEZNQCLSA-N 344.440 1.770 0 40 EDAB Cc1nc2ccc(NC(=O)CN3C(=O)NC(C)(C)C3=O)cc2s1 13058244 VNELQBHDZDEJPU-UHFFFAOYSA-N 332.385 1.874 0 40 EDAB Cc1cc(C)cc(OCCC(=O)NC[C@H](C)N2CCN(C)CC2)c1 71867406 KFBDOOSHVSRGDH-KRWDZBQOSA-N 333.476 1.824 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)N1CCN2CCCC[C@H]2C1 71839855 RYSJAZZEAVTEGF-ZDUSSCGKSA-N 346.456 1.545 0 40 EDAB O=C(CNC[C@H]1CCCN1c1cccnn1)Nc1ccc(Cl)cn1 71859872 ZOPLUSSQRHVSIC-CYBMUJFWSA-N 346.822 1.722 0 40 EDAB CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N1CCNC(=O)CC1 71839465 CMRTVGOLRVYOEV-HNNXBMFYSA-N 326.343 1.717 0 40 EDAB COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O 3903505 SQJYBAIWOXUXJB-ZJOBFFGXSA-N 338.331 1.212 0 40 EDAB O=C(C[C@@H]1C(=O)NCCN1Cc1ccccn1)NC1CCCCC1 64002424 RLMXQIJFZUWHIF-MRXNPFEDSA-N 330.432 1.221 0 40 EDAB CC(C)CC(=O)N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccco2)C1=O 13569925 IHNPLFJHWPRVLC-CYBMUJFWSA-N 347.293 1.957 0 40 EDAB O=C1C[C@H](C(=O)N2CCN3CCCC[C@@H]3C2)CN1Cc1ccco1 71839807 ZXYPLXZBKLTYCK-LSDHHAIUSA-N 331.416 1.325 0 40 EDAB O=C1CC[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H]1O5 5260443 DQCKKXVULJGBQN-OBZTUIKSSA-N 341.407 1.525 0 40 EDAB in-vitro COc1ccc(CN(Cc2nc3c(cnn3C)c(=O)[nH]2)C2CC2)cc1 65403157 JUZSZRVPPUHAMK-UHFFFAOYSA-N 339.399 1.830 0 40 EDAB NC(=O)[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 14098072 NALZGZRSZGWBEN-CYBMUJFWSA-N 326.324 1.470 0 40 EDAB CN(C(=O)[C@H]1CSCN1S(=O)(=O)c1cccc(F)c1)C1CC1 65531485 QWRXXSFVQFZWKH-CYBMUJFWSA-N 344.433 1.510 0 40 EDAB COc1cccc(Nc2nc(N)nc(CSc3nnnn3C)n2)c1 9096621 IAZASGWBPZYORD-UHFFFAOYSA-N 345.392 1.022 0 40 EDAB CS(=O)(=O)N1C[C@]2(CCN(Cc3cccnc3)C2)c2ncccc21 306130379 JELFUQJSBFWMMC-QGZVFWFLSA-N 344.440 1.400 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)c1 4505191 ZSOPGLYMRVJQMI-CQSZACIVSA-N 331.459 1.501 0 40 EDAB COc1cccc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c1OC 93014548 CAPXGRJHHVWXIX-MRXNPFEDSA-N 348.443 1.917 0 40 EDAB O=C(Cn1nc2c(cc1=O)CSCC2)Nc1nc2c(s1)CCC2 71285693 QZGUHCVEVHPNSW-UHFFFAOYSA-N 348.453 1.617 0 40 EDAB CNC(=O)[C@@H]1CCCN(C(=O)NCc2ccnc3ccccc23)C1 83881804 SCUYZHDTYLWXLU-CQSZACIVSA-N 326.400 1.902 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H]2CCc3nnc(C)n3C2)cc1 96000640 JHVNCAVUGQPDSV-LBPRGKRZSA-N 336.417 1.279 0 40 EDAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCCCn1cccn1 71916688 JKHLIHONTLKHKH-SFHVURJKSA-N 342.443 1.681 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)OCC(=O)Nc1ccccc1O 71922036 DUUGVTDQLFZZTP-UHFFFAOYSA-N 349.364 1.591 0 40 EDAB Cn1c(SCC(=O)N2CCC[C@@H](C(N)=O)C2)nc2ccccc21 7154017 UJPGMHKSDPRYGE-LLVKDONJSA-N 332.429 1.389 0 40 EDAB NS(=O)(=O)c1cccc(NC(=S)NCc2cccs2)c1 7156605 YBQDBYBVNNTAQZ-UHFFFAOYSA-N 327.456 1.882 0 40 EDAB C[C@H]1CCCC[C@@H]1OCC(=O)NCC1CCN(S(C)(=O)=O)CC1 71903540 FJNIOQUCZABVCF-ZFWWWQNUSA-N 346.493 1.370 0 40 EDAB CC(C)[C@H](NCC(F)(F)F)C(=O)OCC(=O)N1CCC[C@@H](C)C1 71922234 KCXDIYCBUFIFAW-YPMHNXCESA-N 338.370 1.965 0 40 EDAB CCc1ccccc1N1C(=O)C(Cl)=C(N2CCN(C)CC2)C1=O 19792089 KIJGABAPSCRXTB-UHFFFAOYSA-N 333.819 1.820 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnn(C[C@H]2CCCO2)n1 71910035 RPFTZRJRXRTWQU-CABCVRRESA-N 329.404 1.979 0 40 EDAB Cc1nc2ccccc2n1CCCNc1nc2c(cnn2C)c(=O)[nH]1 68659723 VOZJRXCUSRMMHT-UHFFFAOYSA-N 337.387 1.817 0 40 EDAB CN(C)C(=O)Cc1ccccc1N[C@@H]1CCN(CC(F)(F)F)C1=O 81154755 MBSRQJSWYNYPRK-CYBMUJFWSA-N 343.349 1.892 0 40 EDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1 7916266 CKNBYSAZMSYBLP-LBPRGKRZSA-N 343.408 1.430 0 40 EDAB CC(C)Cn1cnnc1[C@H]1CCCN1S(=O)(=O)c1cccnc1 71915820 WEFJBNHJQNMNLK-CQSZACIVSA-N 335.433 1.855 0 40 EDAB CCCCNC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 9458714 ZJNHACQGLVNMGD-MRXNPFEDSA-N 335.429 1.748 0 40 EDAB C[C@@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1ccco1 8134383 PNYWMAJOUXREBM-LLVKDONJSA-N 327.340 1.550 0 40 EDAB CCc1nn2c(=O)cc(CSc3nnc(N)s3)nc2s1 8274591 FVMJXFDFWXUJKZ-UHFFFAOYSA-N 326.432 1.439 0 40 EDAB Cn1c(=O)[nH]c2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)ccc21 70008077 SZXCORZXRGLHLM-CYBMUJFWSA-N 325.372 1.540 0 40 EDAB CCCCn1nc(C(=O)NCCCC(=O)OC)c2ccccc2c1=O 8392917 PUYCXLVKICKXAB-UHFFFAOYSA-N 345.399 1.880 0 40 EDAB CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 17072156 URNDGFXRRITSTN-UHFFFAOYSA-N 346.474 1.123 0 40 EDAB Cc1ccc(I)c(C(=O)NCCCC(N)=O)c1 69435760 SJCNAICXBLABHW-UHFFFAOYSA-N 346.168 1.595 0 40 EDAB O=C1C[C@@H](N(C(=O)c2ccc(F)c(C(F)(F)F)c2)C2CC2)C(=O)N1 69536815 SAZLWLTZWLWPFE-LLVKDONJSA-N 344.264 1.864 0 40 EDAB COCCN(Cc1ccccc1)C(=O)CN1CCc2cncnc2C1 69538667 QWQRIFYCMQTWSZ-UHFFFAOYSA-N 340.427 1.510 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)CCNC(=O)c1n[nH]c2ccccc12 69563895 ICFSWOMDJVDDJI-CYBMUJFWSA-N 344.415 1.568 0 40 EDAB CC(C)N(C)CCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1 69517387 NRZMCPOVCXDIQS-UHFFFAOYSA-N 330.432 1.702 0 40 EDAB O[C@@H](COc1ccc(Cl)cc1)CN1CCC[C@@H]1Cn1cncn1 69699813 ZIKDVXCNRHKPOE-HUUCEWRRSA-N 336.823 1.836 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCC(Nc2cccnn2)CC1 69655020 QKZBCMOKIHFDSC-INIZCTEOSA-N 340.383 1.720 0 40 EDAB Cc1ccccc1COC1CCN(C[C@@H](O)CN2CCOCC2)CC1 91815314 NJKMHTSOQSRIIH-LJQANCHMSA-N 348.487 1.669 0 40 EDAB CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](C(N)=O)C1 69742022 RFZAUZGEPFXQSE-VXGBXAGGSA-N 341.477 1.048 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)c(C)nn1C 72234327 DAJSQUWNQASAKC-LBPRGKRZSA-N 333.392 1.009 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)no1 72231938 ZWANWQNJDOPSQP-GFCCVEGCSA-N 342.355 1.729 0 40 EDAB CN1CCO[C@H](CNCCC(=O)NCc2ccccc2Cl)C1 72267886 BIHNKOOELAFPAN-CQSZACIVSA-N 325.840 1.267 0 40 EDAB CCn1nc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)ccc1=O 72275549 LOIXFPPBHXAIAQ-GFCCVEGCSA-N 345.403 1.789 0 40 EDAB CCn1nc2c(cc1=O)CN(C[C@H](O)COc1ccc(F)cc1)CC2 72302170 VRZUYNHADJVJKJ-HNNXBMFYSA-N 347.390 1.200 0 40 EDAB CC1(C)CN(C(=O)Nc2cnn(-c3ccccn3)c2)CC[S@]1=O 97228212 XALLUEKCKFNTDP-QHCPKHFHSA-N 333.417 1.642 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1ccc2c(c1)OCCCO2 72402977 UPLVPKUUNJTXEF-UHFFFAOYSA-N 338.367 1.863 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)N2Cc3ccccc3C2)[C@@H]1c1cnn(C)c1 95397542 PBLHMFUCPYGZJD-AEFFLSMTSA-N 338.411 1.872 0 40 EDAB C[C@@H](CCO)NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 84637346 CYQXMSCZIJQPPR-YUMQZZPRSA-N 349.250 1.516 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 95408537 NYPISPWYUUMJDP-SNVBAGLBSA-N 337.367 1.866 0 40 EDAB O=S(=O)(N[C@@H](CO)c1ccccc1F)c1cncc(Cl)c1 95437299 FUABATPQWHWDLA-ZDUSSCGKSA-N 330.768 1.886 0 40 EDAB CC1(C)CN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CC[S@]1=O 88206341 OYNUPXIECOGBMT-QHCPKHFHSA-N 335.404 1.995 0 40 EDAB CN(Cc1ccc(C(=O)O)cc1)C(=O)c1n[nH]c(=O)c2ccccc12 89351088 ZDQDHRKCFSNAFW-UHFFFAOYSA-N 337.335 1.894 0 40 EDAB CCc1n[nH]c(=O)c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1CC 89511300 NYSIPGZFYHIKPG-ZBFHGGJFSA-N 327.384 1.283 0 40 EDAB C[C@@H]1C[C@H]1NC(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 75607235 SGOKUWGAQSTLJL-XOKHGSTOSA-N 344.459 1.592 0 40 EDAB Cc1ccc(Oc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)nn1 56906603 ZSBUTPIQYGYMOG-UHFFFAOYSA-N 340.383 1.915 0 40 EDAB O=C(NCCOC1CCCC1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 514655330 BPYDOTJNONEFGU-MRXNPFEDSA-N 344.477 1.556 0 40 EDAB CNC(=O)c1cc(O[C@@H]2CCCN(c3cc(C)ncn3)C2)ccn1 521398571 QKAPRICEZYHUAJ-CQSZACIVSA-N 327.388 1.587 0 40 EDAB CC(=O)N[C@@H](CC(=O)N(CC(=O)O)C1CCOCC1)c1ccccc1 532602654 ZQPQKFJYOVZGSQ-INIZCTEOSA-N 348.399 1.346 0 40 EDAB Cc1cccc(C(=O)N[C@H]2CCCCN(Cc3nnn(C)n3)C2)c1 1034090511 KFAHYPKBQIMOQI-HNNXBMFYSA-N 328.420 1.303 0 40 EDAB CC(C)(C)c1nc(=NC(=O)NCC2CCS(=O)(=O)CC2)s[nH]1 535214682 GSKQYSRMMZEFRV-UHFFFAOYSA-N 346.478 1.204 0 40 EDAB C[C@@H](NC(=O)c1nccn1C)c1ccc(S(C)(=O)=O)c(F)c1 75503213 YDPBCWGDCVTWIF-SECBINFHSA-N 325.365 1.454 0 40 EDAB CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@@]2(COC)C(N)=S)cc1 218494062 YGJANHUYSDUOHE-IPYPFGDCSA-N 327.471 1.678 0 40 EDAB CN(C)c1n[nH]c(C2CCN(C(=O)c3noc4c3CCCC4)CC2)n1 559264818 DLSWRSQHRIQVSO-UHFFFAOYSA-N 344.419 1.757 0 40 EDAB Cc1cc(C)nc(N2CCC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)n1 72351995 RCUFESLBFRQBJE-CYBMUJFWSA-N 326.404 1.675 0 40 EDAB Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCN(C(=O)CO)C3)n2)n1 72382580 JQTQCVPDZKWHQZ-ZDUSSCGKSA-N 342.403 1.244 0 40 EDAB O=C1COC(=O)N1[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 225703731 PJIHUZMGUYIXMZ-VIFPVBQESA-N 344.776 1.082 0 40 EDAB CCCCCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224167948 NBZDMTUIZYDOQC-UHFFFAOYSA-N 330.425 1.894 0 40 EDAB CNc1nc(NC[C@H]2CCCS2(=O)=O)ncc1Br 133379275 KZHFZDMSVZUBMQ-SSDOTTSWSA-N 335.227 1.270 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@@H]1CCCN2CCCC[C@@H]12 44902802 WMOXKKRSJVQIRS-GJZGRUSLSA-N 347.463 1.356 0 40 EDAB Cc1c(NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)nnn1C 570807044 WOZVIPWYWIRARS-SECBINFHSA-N 335.314 1.393 0 40 EDAB Nn1c(CCCN2CCCCC2)nnc1CCCN1CCCCC1 225149342 PYDQQXWHAUEAFQ-UHFFFAOYSA-N 334.512 1.829 0 40 EDAB Cc1cc(C(F)(F)F)nn1CC(=O)NCc1cc2n(n1)CCCO2 572059656 GKZPWSXXYKGYEM-UHFFFAOYSA-N 343.309 1.506 0 40 EDAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCCCOC 222975949 SPZRHRQNZAVRQH-AWEZNQCLSA-N 336.432 1.975 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)Cn1c(=O)oc2cccnc21 85264818 CMDRFEBMFQIPRH-UHFFFAOYSA-N 339.351 1.978 0 40 EDAB CN(CC1CCCCC1)C(=O)Cn1nnn(-c2ccccc2)c1=O 195679816 RTQBWINOLSWTHC-UHFFFAOYSA-N 329.404 1.468 0 40 EDAB COC[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)[C@H](O)[C@@H]1O 225508029 LFKJAABWAFRRTG-JHEVNIALSA-N 333.306 1.192 0 40 EDAB biogenic,in-vitro CCSc1nnc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)s1 197427267 PBRWTBFTFGJNAE-YWIQKCBGSA-N 327.387 1.243 0 40 EDAB Cc1ccc(CS(=O)(=O)NC[C@@H](C)CN2CCOCC2)c(F)c1 192682924 PUZCDRCHNWFENS-CQSZACIVSA-N 344.452 1.522 0 40 EDAB c1ccc(-c2nc(C3CCN(c4nccn5nnnc45)CC3)n[nH]2)cc1 577693902 VSODBXMLKIOWHL-UHFFFAOYSA-N 347.386 1.688 0 40 EDAB CN(C)[C@@H](CNC(=O)N[C@@H]1CCN(C2CCCC2)C1)c1cnn(C)c1 96410714 GCNRJQDFUBFIKW-WBVHZDCISA-N 348.495 1.339 0 40 EDAB Cn1cccc1[C@@H]1COCCN1C(=O)CNC(=O)c1cccs1 97379468 DRLIVGGBVMHTTQ-ZDUSSCGKSA-N 333.413 1.417 0 40 EDAB CN1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)c2cc(Cl)ccc21 96425533 WSMJJRACCPTQQR-LLVKDONJSA-N 342.848 1.948 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@@H]2CCN(c3cccnc3)CC[C@H]21 96249488 BDFGEYYEAKPEBL-HZPDHXFCSA-N 337.445 1.243 0 40 EDAB Cc1c(C(=O)N[C@H]2CCc3n[nH]c(=O)cc3C2)cnn1-c1ccccc1 238951253 WYZGIRQBDWVHGA-AWEZNQCLSA-N 349.394 1.551 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 96048768 VCVLKJBPTCJDCD-AWEZNQCLSA-N 328.459 1.917 0 40 EDAB O=C(Cc1ccccn1)N1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 96161416 URGFHGCTQYHQKD-XLIONFOSSA-N 335.407 1.756 0 40 EDAB CN1C(=O)CC[C@@H](NCc2cnn3ccccc23)[C@@H]1c1cncn1C 583616549 KDEJTMWYBRTQFU-RDTXWAMCSA-N 338.415 1.520 0 40 EDAB 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24983697 HKHJQDKLEYWQHB-UHFFFAOYSA-N 335.795 1.849 0 40 EDAB Cc1occc1CN(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 55462971 NSIUOWAGCMEOGI-UHFFFAOYSA-N 335.385 1.044 0 40 EDAB C[C@H]1CO[C@H](C)CN1Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 106654990 LEJNLVDPLSGCDL-QWHCGFSZSA-N 339.399 1.718 0 40 EDAB O=C(CCc1nc(-c2ccccn2)no1)N1CCO[C@@H]2CCC[C@@H]21 56197872 OIXMRUIYTVIVGY-UONOGXRCSA-N 328.372 1.844 0 40 EDAB CN1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)[C@H](CN)C1 97019712 HHXNNTUKWYUKPG-CQSZACIVSA-N 342.418 1.966 0 40 EDAB O=C(COc1ccccc1)NCC1CCN(C(=O)C(F)(F)F)CC1 44003025 CYZZOJXNTCTVJI-UHFFFAOYSA-N 344.333 1.983 0 40 EDAB COc1cc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc(OC)c1OC 100795057 GTAQLJUTQDXTOC-JTQLQIEISA-N 347.367 1.905 0 40 EDAB biogenic CC(C)c1nc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)no1 72299418 DXNVUJNDQQKCEU-VXGBXAGGSA-N 335.408 1.647 0 40 EDAB C[C@@H](COCC(F)(F)F)Nc1cc(N2CCC[C@@H]2CO)ncn1 72276198 YWSPNGRUWCVWMD-WDEREUQCSA-N 334.342 1.817 0 40 EDAB Cc1ccc(F)cc1NC(=O)COC(=O)c1nc2nccc(C)n2n1 3363916 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349.431 1.489 0 40 EDAB COc1ccc([C@@H](C)NC(=O)NCCNc2cnccn2)c(OC)c1 46079237 XNAHJWAEDUHQBS-GFCCVEGCSA-N 345.403 1.966 0 40 EDAB Cn1cccc1C(=O)NC(=O)CSc1nncn1-c1ccccc1 3545827 HAFRLCZQNDGJKB-UHFFFAOYSA-N 341.396 1.655 0 40 EDAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1cccc(C(=O)O)c1 13059253 DTOWZLMWTWFGHF-UHFFFAOYSA-N 334.353 1.309 0 40 EDAB Cn1cccc1C(=O)NC(=O)CSc1nnc(NC2CC2)s1 9417011 LDMNROYXWZCYQJ-UHFFFAOYSA-N 337.430 1.500 0 40 EDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1ncc2ccccc2c1=O 25249128 XPPIMRBHQCFNLM-CYBMUJFWSA-N 349.346 1.054 0 40 EDAB O=C(c1ccccc1O)N1CCN(CCOCC(F)(F)F)CC1 96452003 KSOOYAIPAZTMAA-UHFFFAOYSA-N 332.322 1.729 0 40 EDAB COc1c(CN[C@H](CN2CCOCC2)c2ccccc2)c(C)nn1C 65474806 CWWIXMMXCBNOQQ-GOSISDBHSA-N 344.459 1.900 0 40 EDAB Cc1ccn2ncc(C(=O)NCc3ccnc(-n4cccn4)c3)c2n1 65513146 OHFGTVVUBADWPE-UHFFFAOYSA-N 333.355 1.548 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCCc2ccccc21 4548226 JUBOPMTVWSRLKE-UHFFFAOYSA-N 327.384 1.830 0 40 EDAB COc1ccc(-c2noc(CSc3nnnn3C)n2)cc1OC 6589940 CTBCBPBTDLGLSA-UHFFFAOYSA-N 334.361 1.570 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)O[C@@H](C(N)=O)c1ccccc1 14340236 REUAGOMOUGKNRW-KNXALSJPSA-N 327.336 1.985 0 40 EDAB CCOCCn1c(=O)c2c(nc3n(C(C)C)c(C)cn23)n(C)c1=O 4940430 WGRHZIOATKUQGT-UHFFFAOYSA-N 333.392 1.075 0 40 EDAB Cn1nc(C(=O)NCCc2nc3ccccc3[nH]2)c2ccccc2c1=O 7674704 QMMZYUYBCPDVJZ-UHFFFAOYSA-N 347.378 1.782 0 40 EDAB Cn1c(=O)n(CC(=O)Nc2cccc([S@@](C)=O)c2)c2ccccc21 71893565 VLBOIAFXCJLBPO-DEOSSOPVSA-N 343.408 1.716 0 40 EDAB Cc1ccc(C(C)(C)C(=O)N2CC(n3cc(C(=O)O)nn3)C2)cc1 96002331 CCDKODGGGODCOO-UHFFFAOYSA-N 328.372 1.646 0 40 EDAB CN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)Cc2ccccc21 68859472 WISXCCVBLROLEW-UHFFFAOYSA-N 348.410 1.683 0 40 EDAB O=C(O)C[C@@H]1CN(C(=O)c2sccc2Br)CCO1 91293024 BSPQIBCKWIBQCP-SSDOTTSWSA-N 334.191 1.826 0 40 EDAB CCCCN(C(=O)NCc1ccn(C)c1)[C@@H]1CCS(=O)(=O)C1 91226275 GLSLGHCLXJOOLN-CQSZACIVSA-N 327.450 1.524 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@H]3CCCN3C)c(C)c12 71830038 YVRGYGHSKHREKL-CYBMUJFWSA-N 345.447 1.021 0 40 EDAB Cn1cnnc1CNCc1cc2ccccc2nc1N1CCOCC1 71825211 QBCDJPYRIUYDBH-UHFFFAOYSA-N 338.415 1.490 0 40 EDAB COc1ccc(CNC(=O)[C@@H](C(C)C)N2CCCC2=O)c(OC)c1 69381998 DEGVKLVGZAVLPI-QGZVFWFLSA-N 334.416 1.967 0 40 EDAB CN(Cc1nccn1C)C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C 69417777 GQNQZUUJVRABNS-LLVKDONJSA-N 340.449 1.689 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1n[nH]c(=O)c2ccccc12 69485988 BOZOJBMEEVVVBX-SJORKVTESA-N 340.427 1.551 0 40 EDAB Cn1cc(NC(=O)NCc2ccccc2Cn2cccn2)ccc1=O 69538145 VDNYNCBRZJAHTK-UHFFFAOYSA-N 337.383 1.952 0 40 EDAB O=C(O)[C@@H]1CCC(=O)N(CCNc2ncccn2)[C@H]1c1cscn1 69585671 NOLQAVIUKLDVMF-ZWNOBZJWSA-N 347.400 1.410 0 40 EDAB CNS(=O)(=O)CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 83598639 DOCPEVULTMGYBW-QGZVFWFLSA-N 344.436 1.710 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H]1Oc3ccccc3O[C@@H]1C)C2 69653625 XHZHJRLMLLHECL-BDJLRTHQSA-N 328.372 1.411 0 40 EDAB CCC[C@](C)(NCC(=O)Nc1cccc(C(=O)OC)c1)C(=O)OC 69699770 YQFRKNLGHMSSOT-KRWDZBQOSA-N 336.388 1.733 0 40 EDAB C[C@H](CC(=O)N1CCCN(Cc2cnn(C)c2)CC1)n1cccc1 69622591 CBSLJRZAEHCNFL-MRXNPFEDSA-N 329.448 1.907 0 40 EDAB COc1ccc(C(=O)O[C@H](C)C(=O)NCCc2ccccc2)cn1 8516744 NYIAWUZFXPVTQN-CYBMUJFWSA-N 328.368 1.994 0 40 EDAB COC(=O)NC(=O)CN1CCN([C@H](C)c2ccc(F)cc2F)CC1 69812546 RNKCRHORRMBJHO-LLVKDONJSA-N 341.358 1.526 0 40 EDAB O=C(CCN[C@H]1CCc2ncnn2C1)N1CCc2sccc2C1 69870092 TZVXHFFNEJWSFG-ZDUSSCGKSA-N 331.445 1.219 0 40 EDAB COc1cccc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)c1 83970505 MESFYWCUBIBGHN-UHFFFAOYSA-N 337.383 1.700 0 40 EDAB O=C(CN1CCCC1=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 118700423 RJFFHEMPLLACGJ-HZPDHXFCSA-N 332.400 1.930 0 40 EDAB O=C(NCc1ccncc1)[C@H]1CCN1S(=O)(=O)c1ccccc1 97134259 UYMMGYPKCTWHCS-OAHLLOKOSA-N 331.397 1.161 0 40 EDAB CCc1cc(NC(=O)C(=O)NCc2ccccc2N(C)CC)n(C)n1 95399154 SARRMNPIMYTNGZ-UHFFFAOYSA-N 343.431 1.694 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCN(c3nccs3)[C@H](C)C2)no1 95351831 ZICQNYOBYNWMKG-PWSUYJOCSA-N 335.433 1.977 0 40 EDAB CC(C)(CNC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(N)=O 95350614 NNTALNOAGCBWQL-MRXNPFEDSA-N 333.413 1.243 0 40 EDAB C[C@@H](CC1CCCC1)C(=O)N1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1 95397184 MMQOFQRIRXVANS-LBPRGKRZSA-N 334.420 1.204 0 40 EDAB CCN1C(=O)N[C@@](C)([C@H]2CCCN(CCc3ccncc3)C2)C1=O 95402635 XSBOCHPPNILASM-YJBOKZPZSA-N 330.432 1.667 0 40 EDAB CC(C)NC(=O)COc1cn(-c2ccccc2)nc1C(=O)NC(C)C 95977683 CLGWPBYKMAASDD-UHFFFAOYSA-N 344.415 1.914 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CCNC(=O)NC(C)(C)C)C2=O)cc1 95980776 JOFLXISRFQBJRA-GOSISDBHSA-N 346.431 1.860 0 40 EDAB CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccnn1C 95943165 CGZFYUHQGSZFQD-UHFFFAOYSA-N 336.461 1.563 0 40 EDAB COC[C@H](O)CN(C)C(=O)NCCc1ccc(-n2cccn2)cc1 89340096 UICQZUVAWKYYSB-MRXNPFEDSA-N 332.404 1.064 0 40 EDAB COCCn1nc(C(=O)NCCOc2ccc(C)cc2C)ccc1=O 9953381 FLZXUIJYBASXTQ-UHFFFAOYSA-N 345.399 1.315 0 40 EDAB CCCS(=O)(=O)N1CCCN(C(=O)Cc2ccc(C)cc2)CC1 75019269 PYXNJOVNQGOOMV-UHFFFAOYSA-N 338.473 1.812 0 40 EDAB CC(=O)Nc1nc(CN2CCC(N3CCN(C)C3=O)CC2)cs1 75131403 ZXVLMSLUANXABL-UHFFFAOYSA-N 337.449 1.433 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cn1 89652208 AHGWGOMLIXJIDQ-DOTOQJQBSA-N 327.428 1.934 0 40 EDAB COCc1cccc(CNC(=O)N[C@H](C)c2nnc3n2CCC3)c1 89913810 SQBIPEASIQLPFG-GFCCVEGCSA-N 329.404 1.931 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)C1CCN(C(N)=O)CC1 89969171 VOASWAYPJKTTFW-AWEZNQCLSA-N 347.415 1.466 0 40 EDAB CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 22515925 CLJXHAQRYKMBAN-INIZCTEOSA-N 338.473 1.749 0 40 EDAB CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O[C@H]2O)cc1 26579302 NCBVUSNBLYMFPP-QGZVFWFLSA-N 330.361 1.876 0 40 EDAB in-vitro O=C1[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 409290752 NDERKFNTXRYETM-KOFHJDLBSA-N 347.754 1.526 0 40 EDAB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccccc1F 409003598 TUYQVFFAVYGGEO-GFCCVEGCSA-N 325.340 1.390 0 40 EDAB O=C(NCCN1CCCCCC1=O)[C@@H]1CCCN(c2cnccn2)C1 42922683 KSPAKQIAXUYVAX-OAHLLOKOSA-N 345.447 1.212 0 40 EDAB Cc1ccc2c(c1)[C@H]1c3sc(=O)[nH]c3S[C@H](C(=O)O)[C@@H]1C(=O)O2 4291884 UYRFTBAPGVYECQ-KKZNHRDASA-N 349.389 1.971 0 40 EDAB O=C1[C@@H]2Cc3ccccc3CN2C(=S)N1CCCN1CCOCC1 36611067 LPRNXZANTFQQPP-INIZCTEOSA-N 345.468 1.263 0 40 EDAB Cc1cc(NC(=O)CN2CC(=O)NC2=O)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 538276074 DGBCXRSXJKYRTN-SDDRHHMPSA-N 331.376 1.043 0 40 EDAB Cc1ccc2[nH]c3c(=O)n(CC(=O)NCc4ccccn4)cnc3c2c1 35423470 GPJKPPOLPLUKIN-UHFFFAOYSA-N 347.378 1.898 0 40 EDAB CC(=O)N1CCCN(c2cc(-c3ccccc3)nc3ncnn23)CC1 36646257 PYEXEDWZEFVWHE-UHFFFAOYSA-N 336.399 1.850 0 40 EDAB O=C(Cn1ccc2ccccc21)N1CCN(CCn2cccn2)CC1 62153574 LKCUMOVCDDPMME-UHFFFAOYSA-N 337.427 1.682 0 40 EDAB O=S(=O)(c1cc(F)ccc1F)N1CCC[C@H]1Cn1nccn1 670906732 NACZCNIPSSVLDV-NSHDSACASA-N 328.344 1.410 0 40 EDAB CCS(=O)(=O)NCCNc1ccccc1S(=O)(=O)C(F)F 78880250 IARNKJMPVDARNU-UHFFFAOYSA-N 342.389 1.034 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)Nc1n[nH]c2ccccc12 74294332 PSPOXDZIMIUWHH-UHFFFAOYSA-N 334.339 1.697 0 40 EDAB CN(Cc1nccn1C)C(=O)CCN1CCN(c2ccccc2)CC1 73352833 LDKYJLOAMPZOOT-UHFFFAOYSA-N 341.459 1.591 0 40 EDAB Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(CC(=O)O)cc2)no1 563073338 SLWSFBQKOUPZHX-UHFFFAOYSA-N 339.373 1.219 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1c1cc(C(N)=O)[nH]n1 225552438 OLAAEOZVPPPDCD-HNNXBMFYSA-N 345.403 1.800 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1ccc2[nH]cnc2c1 225796676 SBAPAHIMTMZKJE-UHFFFAOYSA-N 334.339 1.098 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)NCCOc2cccc(F)c2)cc1 40105083 HELYKQXUBJGLQB-UHFFFAOYSA-N 339.344 1.881 0 40 EDAB CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 225575000 IEYCEEGEAZHCFV-UHFFFAOYSA-N 332.794 1.352 0 40 EDAB Cc1ncc2c(n1)CC[C@H](NC(=O)c1cnn(-c3ccncc3)c1)C2 573432909 JFXPHUHNKVLAGZ-HNNXBMFYSA-N 334.383 1.653 0 40 EDAB CN(C)c1cnc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 331863550 GARZXJIBTWQORC-IAQYHMDHSA-N 348.353 1.769 0 40 EDAB CCOC(=O)[C@@H]1CN(C(=O)C2CCOCC2)Cc2ncn(CC)c21 96059397 UIKPMBVUOUOUDX-CYBMUJFWSA-N 335.404 1.319 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2ccoc2C)[C@H]1Cc1cnn(C)c1 96200652 AJDPLKHBQJTCBT-IRXDYDNUSA-N 347.415 1.810 0 40 EDAB Cc1ccc2c(n1)N(CCn1cccn1)CCN(C[C@@H]1CCOC1)C2 96199109 MZSVYJDFXQDCFQ-KRWDZBQOSA-N 341.459 1.945 0 40 EDAB O=C(CC1CC1)NCC[C@@]12CCO[C@@H]1CCN(c1ncccn1)C2 96209396 YAGWQVBKMKBJQB-QAPCUYQASA-N 330.432 1.768 0 40 EDAB O=C(C[C@H]1CCOC1)N1CCN(c2nncc3ccccc23)CC1 96443715 KSXOPXRINUCJFV-CQSZACIVSA-N 326.400 1.705 0 40 EDAB Cc1noc([C@H]2CCN(C(=O)c3ccc(-n4cncn4)cc3C)C2)n1 583620535 QQRMKWDJPPOTTF-ZDUSSCGKSA-N 338.371 1.897 0 40 EDAB Cc1cc(C(F)(F)F)nc(N2CCC[C@](O)(c3cnn[nH]3)C2)n1 583616681 BFWWTSNQZLBTMM-GFCCVEGCSA-N 328.298 1.410 0 40 EDAB COc1ccccc1C/C(C)=C/C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C 583620122 AIFKYRBSHANDPW-UUUHGLBNSA-N 343.427 1.809 0 40 EDAB O=C(Cc1ccccn1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96216879 OIQYXYHTWMBTHU-IBGZPJMESA-N 337.427 1.933 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)CCN2CCC[C@H]2C(N)=O)cc1 96445716 OAQKKIZEROQZPL-HNNXBMFYSA-N 338.473 1.708 0 40 EDAB COC(=O)C1(c2ccccc2)CCN(c2nccn(C)c2=O)CC1 96483620 VMTZZWOURGJRLC-UHFFFAOYSA-N 327.384 1.492 0 40 EDAB O=C(Cc1ccccn1)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 96042127 XCCDFPPSUHVMPY-JENIJYKNSA-N 339.395 1.857 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccncc1 96041797 UGZQQTYXRCVWRN-GVDBMIGSSA-N 340.383 1.460 0 40 EDAB NC1(Cc2cc(CN3CCN(c4ccccc4)CC3)on2)COC1 96296164 XOOYJRJFTZWAOR-UHFFFAOYSA-N 328.416 1.267 0 40 EDAB biogenic,in-vitro C[C@@H](NC(=O)CNS(C)(=O)=O)c1ccc(F)c(C(F)(F)F)c1 95436504 JFDGOIJVHYDJSV-SSDOTTSWSA-N 342.314 1.571 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CCN(C3CCOCC3)C[C@H]21 96100074 OFOUQFFDUBCJNG-FGTMMUONSA-N 348.443 1.802 0 40 EDAB Cn1cc(N2CC[C@@]3(CCN(C(=O)c4cccnc4)C3)C2=O)cn1 96159563 GETFTACOIYQULU-QGZVFWFLSA-N 325.372 1.084 0 40 EDAB CC(C)[C@H](O)CNS(=O)(=O)c1ccc(Br)cc1F 97096052 JBGABNSYHOOARI-SNVBAGLBSA-N 340.214 1.883 0 40 EDAB Cc1noc(C[C@@H]2C[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]3O2)n1 96218410 YNQBKCNBLXRGAB-GRDNDAEWSA-N 343.383 1.939 0 40 EDAB Cn1cc(C(=O)N2CC3(C2)OCC[C@H]3COc2cccnc2)cn1 248163450 YSIRVGPMPKBZTD-AWEZNQCLSA-N 328.372 1.125 0 40 EDAB CN(C)S(=O)(=O)N1Cc2cncn2[C@@H](COCC2CCCC2)C1 247923744 CWSPYQXYJHORCI-OAHLLOKOSA-N 342.465 1.253 0 40 EDAB CN1CCN(Cc2ccnc3ccccc23)C[C@H](C(=O)N(C)C)C1 257247606 IZRIRHHZJCEDII-MRXNPFEDSA-N 326.444 1.687 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)ncn1 257319301 VRUFPAGQGAJACT-INIZCTEOSA-N 343.431 1.528 0 40 EDAB CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cc(=O)c2ccccc2n1C 585089385 JEFPKHOEHFAZQM-NEPJUHHUSA-N 330.384 1.856 0 40 EDAB O=C(c1cnc(O)c2ccccc12)N1CCOC[C@H]1c1nc[nH]n1 585082184 XHOKNYPLMOZKTD-ZDUSSCGKSA-N 325.328 1.272 0 40 EDAB CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cnc(OC(C)C)cn1 585083998 OSLMUQXTMAEKSC-LBPRGKRZSA-N 336.392 1.615 0 40 EDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)c2cnccn2)n1 257284143 PBJIDHTXAVJGMZ-HNNXBMFYSA-N 326.404 1.614 0 40 EDAB COC(=O)c1cc(NC(=O)C[C@@H](C)Cc2cccc(F)c2)nn1C 585128982 SRYFBCSOWXZRBE-NSHDSACASA-N 333.363 2.553 0 40 EDAB O=C([C@@H](O)Cc1cccc(C(F)(F)F)c1)N1CC[C@]2(CCNC2)C1 585136935 ZDFSYLSERDFONB-HOCLYGCPSA-N 342.361 1.821 0 40 EDAB COC[C@]1(C(=O)OC)CCCCN1Cc1occc1C(=O)OC 585133286 DONAMJRPIZOPGO-INIZCTEOSA-N 325.361 1.610 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ncc[nH]3)CC2)C[C@H](O)C1(C)C 257232001 GIYRGUNYPYFNOD-ZDUSSCGKSA-N 334.420 1.024 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](C)SCC(=O)c2ccccc2)CC1 585118688 YHMVJYGUGRJGSR-CYBMUJFWSA-N 334.441 1.682 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C3CCN(C)CC3)CCN2C)c1 257254015 KBGABUOGFVBGJK-GOSISDBHSA-N 330.476 1.429 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2cccn2C)C1 257316494 VFWJWNORKYPASS-IBGZPJMESA-N 345.418 1.873 0 40 EDAB Cc1cncc([C@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)n1 257231126 GFJRRWFKVQWXRX-AWEZNQCLSA-N 336.399 1.936 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)c3ccno3)CCO2)ccn1 257325797 WULOSQBNNITESE-CQSZACIVSA-N 330.388 1.609 0 40 EDAB Cc1ccc(CN2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)cn1 257285554 PHSASOUSMCTRTJ-SFHVURJKSA-N 325.416 1.760 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)c3cnn(C)c3)CCN2C(C)=O)cc1 257259223 KXJRKNKWRVBDRL-KRWDZBQOSA-N 342.399 1.474 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)CCCn3cncn3)CCO2)n1 257242696 IDSKPQSDCFQSBD-CQSZACIVSA-N 330.392 1.065 0 40 EDAB CN(C)Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCCC2)nc1 257276859 NVKACATVGBTXKE-MRXNPFEDSA-N 338.477 1.621 0 40 EDAB O=C(N[C@H](C(=O)O)[C@H]1CCCOC1)c1csc([C@@H]2CCCO2)n1 262853102 UKAWDOGPCSIRGH-DLOVCJGASA-N 340.401 1.604 0 40 EDAB Cc1nn(CCS(C)(=O)=O)c(C)c1Cn1cnc2ccccc21 280682818 ZOCRCYRRWWPBCM-UHFFFAOYSA-N 332.429 1.943 0 40 EDAB Cc1cc(-n2ccnc2)ccc1C(=O)N1CC2(CN(C)C(=O)O2)C1 1615537972 LAFXOTQOQKOVJW-UHFFFAOYSA-N 326.356 1.457 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCC(S(C)(=O)=O)CC2)cc1 96098184 QDSLCGBMDONAMQ-UHFFFAOYSA-N 325.386 1.122 0 40 EDAB COc1cccc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c1 390831655 TXHUWKDINFQYLP-CYBMUJFWSA-N 338.371 1.142 0 40 EDAB COC(=O)[C@H](CO)NC(=O)c1coc(SCc2ccccc2)n1 585141473 VHOLLCLAPZTSSQ-NSHDSACASA-N 336.369 1.231 0 40 EDAB Cc1noc(C)c1CN1Cc2ccnn2CC[C@H]1CNC(=O)C1CC1 585096726 BJUVROGAXSKEOO-HNNXBMFYSA-N 343.431 1.789 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCCN(Cc3cncn3C)C2)C1=O 585099315 CPFCQBOGOMWVDN-GOSISDBHSA-N 343.431 1.650 0 40 EDAB C[C@H](COc1ccc(F)cc1F)NC(=O)N1CC[C@H](C(N)=O)C1 56897854 BIEXNROKIGNIIR-ZJUUUORDSA-N 327.331 1.249 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2nc(C)c(C)s2)CCN1CCOC 69738106 DIKLPRRVEKUWBQ-CQSZACIVSA-N 340.493 1.741 0 40 EDAB COc1cccc(CN[C@@H]2[C@@H](O)CO[C@@H]2Cn2cc(C3CC3)nn2)c1 1549162243 SLVIWXAFKNHZEK-RCCFBDPRSA-N 344.415 1.082 0 40 EDAB CCc1cc(C(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)on1 12406478 BEDRGZCSWNTYSM-SNVBAGLBSA-N 331.376 1.428 0 40 EDAB COCCNC(=O)CNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 14186742 CPRSGJFDMPXJEI-UHFFFAOYSA-N 342.461 1.270 0 40 EDAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccco3)ccc21 17304977 WJNBLAYSYHZZQD-UHFFFAOYSA-N 334.397 1.922 0 40 EDAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NC[C@@H]1CCCO1 19937586 CAFSNKMYPLFOTA-AWEZNQCLSA-N 347.802 1.928 0 40 EDAB Cc1cc(OC2CN(C(=O)c3c(C)nc4ccccn34)C2)cc(=O)o1 206957596 QALZOULLOGXCMT-UHFFFAOYSA-N 339.351 1.808 0 40 EDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccco2)cc1 12002521 MRIDUHBQSXBMDM-UHFFFAOYSA-N 334.353 1.412 0 40 EDAB C[C@@](CO)(CNCc1cnc(N2CCOCC2)nc1)c1ccccc1 585083540 ACBJJCVGXPMBSM-IBGZPJMESA-N 342.443 1.353 0 40 EDAB CC(C)(C)c1ccc(OC[C@H]2CCN(S(=O)(=O)C3CC3)C2)nn1 1888854729 YWOLCIRTRMTRKA-LBPRGKRZSA-N 339.461 1.967 0 40 EDAB Cn1cnc(C(=O)N2CCC(COc3ccc4nccn4n3)CC2)c1 1888876183 ZTUHSKBIWYPMPP-UHFFFAOYSA-N 340.387 1.394 0 40 EDAB Cc1cn2nc(N3CCN(Cc4ccn(C)c(=O)c4)CC3)ccc2n1 1888881837 IYGDTBYRLYEQOR-UHFFFAOYSA-N 338.415 1.059 0 40 EDAB COc1cc(C(=O)N2CCCn3c(nnc3CN(C)C(C)C)C2)on1 1146934301 DJWCJRIVHOCBHE-UHFFFAOYSA-N 348.407 1.161 0 40 EDAB Cc1cc(N2CC[C@@H]3CN(c4ccc(F)cn4)C[C@H]32)n2ncnc2n1 2087143846 HDOARHBSOMNYEX-TZMCWYRMSA-N 339.378 1.682 0 40 EDAB Cc1cnnn1Cc1ncn2c1CN(C(=O)C1(F)CCC1)CCC2 1565551451 QUQOXZVBMYRWNF-UHFFFAOYSA-N 332.383 1.456 0 40 EDAB O=C(Cn1cnc2c(cnn2CCO)c1=O)c1ccc(Cl)cc1 4940573 QHGOADITAUMESH-UHFFFAOYSA-N 332.747 1.122 0 40 EDAB CS(=O)(=O)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 12156016 MFKZBHPANVIRRX-UHFFFAOYSA-N 347.440 1.582 0 40 EDAB CCn1c(O)nc2c(N3CCN(c4ccccn4)CC3)ncnc21 2086865338 LWDHRXONQHGZAG-UHFFFAOYSA-N 325.376 1.273 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cn1 218000202 CIJYCZJSJXUODH-OAHLLOKOSA-N 335.385 1.352 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CC(Nc3cccnn3)C2)c1C 585148725 ADGFJGBDTGASQV-UHFFFAOYSA-N 346.456 2.195 0 40 EDAB NC(=O)c1ccsc1NC(=O)CCS(=O)(=O)c1ccccc1 4325681 OSXPKBHSHSXNCH-UHFFFAOYSA-N 338.410 1.650 0 40 EDAB Cc1cc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nc(C)n1 96429368 PDJHCXYTBQYGDW-UHFFFAOYSA-N 328.420 1.473 0 40 EDAB NC(=O)CCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 40523724 WJHFCPDYUUUAGK-UHFFFAOYSA-N 344.390 1.886 0 40 EDAB O=C(CN(Cc1cccc(F)c1)C[C@H]1CCCO1)N1CCNC1=O 50963865 RPXHPSWGWRLRTK-OAHLLOKOSA-N 335.379 1.359 0 40 EDAB COCCc1noc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)n1 69625515 WBJXZLKKBSDMIR-MRXNPFEDSA-N 346.431 1.110 0 40 EDAB COc1cc(CNC(=O)N[C@@H]2CCCNC2=O)ccc1OC(F)F 69626849 XUVBDTHALXOUNQ-SNVBAGLBSA-N 343.330 1.374 0 40 EDAB C[C@@H](C(=O)N1CCN(C(=O)NC2CCCCC2)CC1)n1cncn1 75712947 HKDWZNOFWGKFGV-ZDUSSCGKSA-N 334.424 1.026 0 40 EDAB O=C(NC1CCC2(CC1)OCCO2)N[C@H](CO)Cc1ccccc1 79144944 PGQFYOCWRCFCCC-INIZCTEOSA-N 334.416 1.575 0 40 EDAB O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc(F)c2)n1 102604671 LDBBFCAQELALIQ-VDERGJSUSA-N 341.342 1.737 0 40 EDAB COc1ccnc(N2CCN(CC(=O)Nc3cccc(F)c3)CC2)n1 52722735 XZKHFVJTYCJFEA-UHFFFAOYSA-N 345.378 1.385 0 40 EDAB CC(C)[C@H](C)NC(=O)C1CCN(CC(=O)NC2CCOCC2)CC1 102768415 JUCSRGDNLHLAAG-AWEZNQCLSA-N 339.480 1.154 0 40 EDAB CC(C)n1ncc2cc(NC(=O)CCN3C(=O)CCC3=O)cnc21 21901436 JJIHCZRTTSZTCL-UHFFFAOYSA-N 329.360 1.490 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 6845630 OPCRUYWZCROQEC-IGNRKKQASA-N 342.395 1.825 0 40 EDAB CC1(C)C[C@H](C(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)CCO1 104181050 QHHWCSVBSCFMCZ-ZNMIVQPWSA-N 330.428 1.999 0 40 EDAB COC(=O)CCN1CCN(C(=O)c2cc3ccccc3[nH]2)C[C@@H]1C 97046232 YFTKXXHTUQVZIM-ZDUSSCGKSA-N 329.400 1.877 0 40 EDAB CC(C)C(=O)Nc1ccc(C(=O)COC(=O)CN2CCCC2=O)cc1 22470663 SPZQKYZOJSWLIN-UHFFFAOYSA-N 346.383 1.629 0 40 EDAB COc1cc(C(=O)N2CC[C@@H](C(N)=O)C2)ccc1OC1CCCC1 53895232 KOZAVBUUAGKTRV-CYBMUJFWSA-N 332.400 1.964 0 40 EDAB CNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21 9132417 CXALMIANEWPRLB-SECBINFHSA-N 345.380 1.900 0 40 EDAB COc1ccccc1-c1noc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 109458839 CJQXOMGOVOALMK-LLVKDONJSA-N 337.401 1.884 0 40 EDAB O=C1CN(C(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)CCN1 100123959 JIUXFINONWPVSP-ZHCSWWCTSA-N 340.379 1.005 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN([C@@H](C(N)=O)c3ccccc3)C2)o1 107354103 HGOUZYCAZWBYMQ-DOTOQJQBSA-N 328.416 1.716 0 40 EDAB O[C@H]1C[C@](CNCc2ccccn2)(COc2cccnc2)C[C@H]1O 107430323 UYIFLKZZNMUTOM-BCDXTJNWSA-N 329.400 1.147 0 40 EDAB biogenic,in-vitro CC(C)(C)OC(=O)N1CCC(C(=O)NCCNc2ncccn2)CC1 47992678 JTYPLVWLPOULND-UHFFFAOYSA-N 349.435 1.652 0 40 EDAB C[C@H](COc1ccc(F)cc1)NC(=O)N(C)[C@H](C)CS(C)(=O)=O 69931516 YDKMSBCSIAPPRY-VXGBXAGGSA-N 346.424 1.668 0 40 EDAB COC(=O)c1ccc(NC(=O)NC[C@@H](O)CN2CCCCC2)cc1 48007030 PJROAYAUNYJGKP-OAHLLOKOSA-N 335.404 1.442 0 40 EDAB CN1CCC[C@@H]1CNC(=O)CNC(=O)c1cc(-c2ccccc2)on1 58228260 FTNWOENWYBFRJO-CQSZACIVSA-N 342.399 1.282 0 40 EDAB Cc1ccc([C@@H](O)CNC(=O)NCc2nnc3n2CCCCC3)cc1 48272876 RVJFCBLCCQIODN-HNNXBMFYSA-N 343.431 1.846 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COCC2CCC2)C1 107712600 XGVNUBWUTUTJKW-CVEARBPZSA-N 346.493 1.481 0 40 EDAB COCCN(Cc1ccccn1)C(=O)[C@@H](C)NC(=O)c1ccco1 58325817 QYDBNIVMAHCCPI-CYBMUJFWSA-N 331.372 1.468 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2cccnc2)CC1 45031367 CLDCMMYURYNTBE-HNNXBMFYSA-N 345.447 1.632 0 40 EDAB Cc1cc2n(n1)C[C@H](CN[C@H](Cc1ccccc1)CN(C)C)CN2 58428880 XKKFBGBQQILOJM-QZTJIDSGSA-N 327.476 1.996 0 40 EDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)NOCc2ccccc2)cc1 25285371 QKEUIXQYMVKMMH-FMIVXFBMSA-N 346.408 1.856 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H](C)c1ccccn1 48315875 XQSDUFPQAISCIA-CYBMUJFWSA-N 349.394 1.955 0 40 EDAB COc1cccc(CC(=O)NCCc2nnc3n2CCCCC3)c1 48326728 LETPRPNTBDBXND-UHFFFAOYSA-N 328.416 1.915 0 40 EDAB O=C(NCCCn1ccnc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 48354022 HRKQSGIDEZEYCC-CQSZACIVSA-N 330.388 1.535 0 40 EDAB COC(=O)[C@H](O)C1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 92015608 IDLHPDLFNFFFSJ-QGZVFWFLSA-N 347.390 1.757 0 40 EDAB CS(=O)(=O)CC1(CC(=O)N2CCc3cc(F)ccc3C2)CC1 92005952 UKWJPEQTLOZQGD-UHFFFAOYSA-N 325.405 1.925 0 40 EDAB CC(C)NC(=O)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 3530142 CHXRMKWOFQQYPL-UHFFFAOYSA-N 347.396 1.583 0 40 EDAB COc1cccc(/C=C/C(=O)OCC(=O)NC[C@H]2CCCO2)c1OC 3530514 DOQGSKQBJRAROE-MYSGNRETSA-N 349.383 1.555 0 40 EDAB CC1CCN(C(=O)C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)CC1 69895603 DONLYDRTBLFKPY-INIZCTEOSA-N 337.464 1.846 0 40 EDAB NC(=O)C1(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CCOCC1 72295608 KTWCKFAMUFJQCN-DGCLKSJQSA-N 338.354 1.467 0 40 EDAB C[C@@H](NC(=O)CN[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 69952085 PFJIDZSJWCYMNH-NVXWUHKLSA-N 339.443 1.912 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)Cn1ccccc1=O)CC2 4090069 NOFPMGWDFVQQRC-UHFFFAOYSA-N 328.368 1.450 0 40 EDAB biogenic Nc1cccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 8755791 KTGRTHZKECJXJK-OLZOCXBDSA-N 345.424 1.239 0 40 EDAB Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1nccs1 72287871 RIYUDIKQEPJPNT-CYBMUJFWSA-N 328.401 1.538 0 40 EDAB CCOc1ccc(OCC(=O)OCC(=O)NC[C@H]2CCCO2)cc1 5287579 PBCZIWRQGGNRDW-OAHLLOKOSA-N 337.372 1.303 0 40 EDAB O=C1CC[C@@H](C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)CN1 65444054 CEYKDNVLAOLWGO-LLVKDONJSA-N 338.791 1.644 0 40 EDAB Cc1ccc(C(=O)O[C@H]2C(=O)OCC2(C)C)cc1S(C)(=O)=O 65491402 FPQZCLZYTRZTDW-LBPRGKRZSA-N 326.370 1.507 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N1CCN([C@@H](C)c2ccccc2F)CC1 65528921 XOKHNEHXXXSDJY-STQMWFEESA-N 336.411 1.348 0 40 EDAB CCc1sc(C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)cc1C 65539427 ATASZWXZEOZUQM-GFCCVEGCSA-N 345.486 1.895 0 40 EDAB CNC(=O)[C@H](NC(=S)NC(=O)c1ccc(F)cc1)C(C)(C)C 5383739 RPJGLYHYMUJMKL-NSHDSACASA-N 325.409 1.591 0 40 EDAB CCc1nn(C)c2[nH]nc(NC(=O)Cn3c(=O)[nH]c4ccccc43)c12 72286142 GVIYWJFLIIWIQT-UHFFFAOYSA-N 339.359 1.141 0 40 EDAB CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NCCC(=O)N(C)C 65624756 UQZGQAXAIWCMCV-UHFFFAOYSA-N 339.367 1.146 0 40 EDAB CC(C)CN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 4504511 MPSDYEXKRPCXAK-CYBMUJFWSA-N 339.413 1.701 0 40 EDAB Cc1nc(CS(=O)(=O)c2ccccc2)cc(N2CCN(C)CC2)n1 5423339 XSUMNLGLPWBEEH-UHFFFAOYSA-N 346.456 1.511 0 40 EDAB C[C@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccn1 27336888 VHXTYTOSJKORFS-AWEZNQCLSA-N 341.415 1.874 0 40 EDAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)N3CCCCCC3)nn12 15853993 ZVSWCKQGJMZWES-GFCCVEGCSA-N 331.376 1.381 0 40 EDAB CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9225894 NWMQDELEZSMQJC-CYBMUJFWSA-N 340.445 1.540 0 40 EDAB CC(=O)c1ccc(NC(=O)C[C@H]2SC(NC3CC3)=NC2=O)cc1 7987716 PVOIZNGMDQUSSP-CYBMUJFWSA-N 331.397 1.968 0 40 EDAB CC(=O)Nc1ncccc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 96012043 PXXHZTTUVBJPDW-LBPRGKRZSA-N 330.388 1.770 0 40 EDAB O=C(Nc1ccncc1)N1CC(S(=O)(=O)Nc2ccccc2)C1 96005155 BNXZUCCBNBPMQA-UHFFFAOYSA-N 332.385 1.740 0 40 EDAB Cn1ncc2c(=O)[nH]c(N3CCCN(Cc4cccs4)CC3)nc21 69527830 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COc1ccc(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)cn1 8515456 YZLSEDLVIMMCDG-UHFFFAOYSA-N 347.302 1.734 0 40 EDAB COc1cccc(CN2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)c1 76055180 QZXIUMNEZDINQB-KXBFYZLASA-N 331.460 1.680 0 40 EDAB CCn1nc(C(C)C)cc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 76051889 NSPBQDGEPGFZCH-PBHICJAKSA-N 334.464 1.819 0 40 EDAB COc1cc2nc(N3CCC[C@@H](N(C)C)C3)nc(N)c2cc1OC 78617820 YNYSGMMDIDQTEM-LLVKDONJSA-N 331.420 1.760 0 40 EDAB O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(=O)O)OCc1ccccc1 2522595 JXJYTERRLRAUSF-HZPDHXFCSA-N 329.352 1.970 0 40 EDAB CCOC(=O)C(CCC(C(=O)OCC)C(=O)OCC)C(=O)OCC 4758832 KNTOEBNUVAIYKF-UHFFFAOYSA-N 346.376 1.251 0 40 EDAB Cc1sc(C(=O)Nc2ccccn2)cc1S(=O)(=O)N(C)C 6679497 MUOWCRIPMBYNOI-UHFFFAOYSA-N 325.415 1.954 0 40 EDAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@H](C(N)=O)C1 52961911 AYOIBLXNTXNMHT-OCCSQVGLSA-N 329.400 1.759 0 40 EDAB C[C@@H](CNC(=O)c1cnc2n(c1=O)CCS2)N(C)c1ccccc1 46951082 FBKZMFPNIFCNJQ-LBPRGKRZSA-N 344.440 1.604 0 40 EDAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)NCc3ccccc3)nn12 8391137 TXNYQOUMBSQRBQ-LBPRGKRZSA-N 339.355 1.294 0 40 EDAB COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)NC(N)=O 22616472 WRNPUGCBRJGUFB-HNNXBMFYSA-N 327.384 1.591 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@@H](C(=O)c1ccccc1)n1ccccc1=O 819436 HYTXKPFLWXHYJJ-NVXWUHKLSA-N 340.379 1.568 0 40 EDAB CCOCC(=O)N1CCC[C@]2(CC1)CCN(Cc1ccncc1)C2=O 108533590 PPLCYQJGRFXCSG-IBGZPJMESA-N 345.443 1.849 0 40 EDAB COCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2F)CC1 69705518 AQONJDARKHTFJO-UHFFFAOYSA-N 344.408 1.050 0 40 EDAB CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4OC)C(=O)[C@H]13)O2 103270952 RKTXWYRYYFZZSC-CYJAXWMASA-N 343.379 1.935 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)Cc2cnn(-c3ccccc3)n2)cn1 69701536 UMRVQWQTPHEGLP-QGZVFWFLSA-N 336.399 1.907 0 40 EDAB CN(C)c1nc(N(C)C)n(S(=O)(=O)c2ccc(Cl)cc2)n1 3104951 CGKUPUWKVNVRST-UHFFFAOYSA-N 329.813 1.301 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)[C@H](C(=O)NC(N)=O)c1ccccc1 24115245 YTQYVIFESGOIBY-INIZCTEOSA-N 341.367 1.783 0 40 EDAB Cc1nc(CN2CCN([C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)CC2)no1 69777493 LIYRZLGOSXTIDV-LZWOXQAQSA-N 349.479 1.579 0 40 EDAB Cc1cc(OCC(=O)N2CCC[C@H]2CS(N)(=O)=O)ccc1Cl 69774219 UYVATVDAXFLNSW-NSHDSACASA-N 346.836 1.307 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)on1 24673342 FJXCPVOQKHREMR-UHFFFAOYSA-N 334.401 1.441 0 40 EDAB CCS(=O)(=O)N1c2ccc(C(=O)NCCOC)cc2C[C@H]1C 20448884 FOUMNIYHILXRSG-LLVKDONJSA-N 326.418 1.164 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1coc(-c2ccccc2)n1 58173044 VGRWWZCKTFHOPW-CQSZACIVSA-N 329.356 1.205 0 40 EDAB O=C(Nc1ccccc1)[C@H]1CCCN(C[C@@H](O)Cn2cccn2)C1 106788694 QKJBXLVNWGUIBD-DOTOQJQBSA-N 328.416 1.595 0 40 EDAB O=C(CSc1nnnn1C1CC1)N(Cc1ccncc1)C1CC1 47840623 OFFNHJKJYMVCSO-UHFFFAOYSA-N 330.417 1.686 0 40 EDAB C[C@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C[C@@H](C)O1 106932005 XRVWOVCXERNCHB-DLTLXFJOSA-N 332.400 1.221 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2F)cc1 23079088 FGSNSTJFFGQUFD-UHFFFAOYSA-N 337.376 1.837 0 40 EDAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 56073323 QEDWBXTYXLLZLE-LBPRGKRZSA-N 330.381 1.725 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)N1CCO[C@@H]2CCC[C@H]21 56193895 VGGQDWBHRMTWDU-NVXWUHKLSA-N 327.384 1.567 0 40 EDAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 48287961 YMPQLWICHJQWLB-UHFFFAOYSA-N 339.417 1.648 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC(n3cncn3)CC2)c1C 58280126 ZQSQJJQFMBJCCI-UHFFFAOYSA-N 331.376 1.487 0 40 EDAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NC[C@@H]1CCS(=O)(=O)C1 44909233 OXWJAUOZRMVKSS-NSHDSACASA-N 338.404 1.709 0 40 EDAB COc1ccc([C@@H](C)NC(=O)N[C@H](C)c2nncn2C)c(OC)c1 44969056 SYIOIQCCTOJYPA-GHMZBOCLSA-N 333.392 1.954 0 40 EDAB CN(C)[C@H](CNC(=O)NCCN1CCCCCC1=O)c1ccco1 44949339 FMGDPICMRXUBSZ-CQSZACIVSA-N 336.436 1.584 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1C 44911860 NCOOSESQEUZIEP-ZDUSSCGKSA-N 333.413 1.406 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNC[C@H](O)COc1ccc(F)cc1 58412714 ISSVSUPOTDJHCA-AWEZNQCLSA-N 336.411 1.463 0 40 EDAB O=C(C[C@H](C(=O)O)N1CCNCC1)Nc1c(Cl)cccc1Cl 22592788 XJYYMWAGVYHDLB-LLVKDONJSA-N 346.214 1.680 0 40 EDAB O=C(CCc1c(F)cccc1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269620 FTLCGIKHGYAPNS-SJORKVTESA-N 338.398 1.955 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2cccc(COC)c2)NC(=O)NC1 12862187 NOYAHLJHFFHSNE-UHFFFAOYSA-N 348.355 1.120 0 40 EDAB CN1CC(=O)N(C[C@@H](O)COc2cccc(Br)c2)C1=O 12891048 RXYSVMYMIDYVQN-SNVBAGLBSA-N 343.177 1.083 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(CC(=O)NCCO)cc2)C1 69894012 GBQBWSYDMCTZGM-HUUCEWRRSA-N 348.443 1.221 0 40 EDAB CN1C[C@H](C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CC1=O 69816512 UKWZGZRROROLQI-MRVPVSSYSA-N 349.284 1.778 0 40 EDAB COc1ccc(NC(=O)CSc2nnc(C3CC3)n2N)cc1OC 3484456 MCGWGSXMKKLVMK-UHFFFAOYSA-N 349.416 1.617 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 49030470 ZTMGIUVJTHOCOV-ZDUSSCGKSA-N 348.447 1.539 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(Cc2cc(-c3ccco3)on2)CC1 39990594 QICGLNJBXOOEBI-OAHLLOKOSA-N 331.372 1.758 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)Nc2ccccc2OCC(F)(F)F)CCO1 65367043 IDCOIZWXJORNTC-NSHDSACASA-N 347.293 1.346 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)Cn1ccc(=O)c3ccccc31)CC2 65491727 VHKNVDLHNVOQNW-ZDUSSCGKSA-N 337.383 1.033 0 40 EDAB CCOc1ncccc1CNC(=O)c1ccc(N2CCNC2=O)cc1 65428489 PAGGLZSFRJLNEW-UHFFFAOYSA-N 340.383 1.940 0 40 EDAB Cc1csc(N2CCCN(C(=O)CCN3CCCC3=O)CC2)n1 65500431 TVUACULSMKWQMN-UHFFFAOYSA-N 336.461 1.503 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 65554657 VRFUPYNOFPEDDP-SJORKVTESA-N 345.443 1.764 0 40 EDAB Cc1cc(OCC(=O)N2CCN(C(=O)c3ccccc3)CC2)no1 14199458 PPOATNAFWWBTKX-UHFFFAOYSA-N 329.356 1.346 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N3C[C@@H](C)O[C@H](C)C3)cnc12 14235598 UZDLPEJCUXVMBM-ZIAGYGMSSA-N 329.400 1.731 0 40 EDAB O=C(NCc1ccncc1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060494 BAUOAYNIOCZRDY-CYBMUJFWSA-N 337.387 1.281 0 40 EDAB COCCN1C(=S)N(c2ccccc2F)[C@H]2CS(=O)(=O)C[C@H]21 9060737 XJBZZIAHBFHWPY-OLZOCXBDSA-N 344.433 1.045 0 40 EDAB COc1cc(OC)cc(C(=O)NCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 6882312 LLBNTAGRCIIBAI-CHWSQXEVSA-N 334.416 1.938 0 40 EDAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1NCCCO 5958561 DYNJCRSJIBANHL-UHFFFAOYSA-N 332.356 1.992 0 40 EDAB biogenic CN(C)c1cc2c(cc1NC(=O)c1ccncc1)n(C)c(=O)n2C 408535386 SNEWENIZRHFAPE-UHFFFAOYSA-N 325.372 1.590 0 40 EDAB Cc1nnc(SCC(=O)NC(=O)NCCC2=CCCCC2)n1C 7234584 ATOGGGBZMYIZBE-UHFFFAOYSA-N 337.449 1.932 0 40 EDAB COCCN(C(=O)c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 68743171 CQJXQDVSTFHBGE-GFCCVEGCSA-N 331.459 1.641 0 40 EDAB CCOC(=O)c1ccsc1NC(=O)C(=O)NCCCCOC 70013199 UUEVWOPKLJBPBO-UHFFFAOYSA-N 328.390 1.406 0 40 EDAB COc1ccccc1OCCN1CCc2ncnc(N(C)C)c2C1 69374164 XDZCQJRGXPAJHE-UHFFFAOYSA-N 328.416 1.988 0 40 EDAB COCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1 69321569 MELRWPDNMBAVED-ZDUSSCGKSA-N 348.424 1.993 0 40 EDAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 69459281 PIASPGCQJYCDLD-GHMZBOCLSA-N 343.449 1.081 0 40 EDAB CCNC(=O)CNC(=O)Nc1ccnc(Sc2ccccn2)c1 69452425 BZPHYRNQUONHHB-UHFFFAOYSA-N 331.401 1.885 0 40 EDAB CC[C@@]1(C)Cc2c(sc3[nH]c(SCC(N)=O)nc(=O)c23)CO1 17112820 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EDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Oc2cccnc2)cc1 95469231 GDYUCKVRKNDYDH-UHFFFAOYSA-N 342.398 1.100 0 40 EDAB O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@@H]1COCCO1 95955970 YJSLWQNEIBDICD-AWEZNQCLSA-N 345.355 1.880 0 40 EDAB NC(=O)c1cccc(CNS(=O)(=O)Cc2c(F)cccc2F)c1 95980757 GOOVTRJDOMSJFV-UHFFFAOYSA-N 340.351 1.683 0 40 EDAB Cc1ccc(Cn2cccc(NC(=O)C(=O)N[C@@H]3C[C@H]3C)c2=O)cc1 95973991 ZDAOMPXFTISKPG-CZUORRHYSA-N 339.395 1.668 0 40 EDAB O=C(CCNC(=O)c1ccoc1)Nc1ccn(-c2ccncc2)n1 75138374 AFFGNIADJSLXNL-UHFFFAOYSA-N 325.328 1.619 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c(=O)[nH]1 75125203 NLNWHUOZHDDTQP-HNNXBMFYSA-N 325.368 1.214 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC(c2n[nH]c(C3CC3)n2)CC1 75138950 ZMNVQNCLYPYMCM-IUODEOHRSA-N 347.463 1.545 0 40 EDAB CCc1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 75105729 UDRXMXHOYXCTGF-UHFFFAOYSA-N 343.387 1.111 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@@H](O)COc1ccccc1F)CC2 69490432 CZZJVTKSBXOHGY-CYBMUJFWSA-N 346.406 1.480 0 40 EDAB COCCCNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 408771971 KKEJKMYSFZVRRV-GFCCVEGCSA-N 344.433 1.002 0 40 EDAB CCOc1ncccc1CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 23101948 RKUIRKIUXXFOGY-HNNXBMFYSA-N 326.352 1.878 0 40 EDAB CCOc1ncnc2c1CN(C[C@H](O)COc1cccc(C)c1)CC2 65457961 MYPXWQVVYFXYEW-HNNXBMFYSA-N 343.427 1.982 0 40 EDAB Cc1c(C(=O)N[C@@H]2CC3CCC2CC3)cnn1-c1ccc(O)nn1 554357081 CAECICJJCLAWNT-ORHYLEIMSA-N 327.388 1.985 0 40 EDAB CC(C)n1cc(CN2CCn3cc(CC(=O)N(C)C)nc3[C@@H]2C)cn1 306139660 TWSYGKSWOLHQOE-AWEZNQCLSA-N 344.463 1.868 0 40 EDAB COC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C 217418444 XEEVOKXWZMXKTR-SNVBAGLBSA-N 330.406 1.518 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(NCCCO)c(C(=O)O)c1 217558929 ZAOCDDBISNRBJD-JTQLQIEISA-N 330.406 1.256 0 40 EDAB O=C(NS(=O)(=O)c1cnccn1)[C@H]1C[C@H]1c1ccccc1Cl 152463007 OPOWKGKDLJVUCU-QWRGUYRKSA-N 337.788 1.739 0 40 EDAB Cc1noc2ncc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc12 75126625 JGYWPMMUOCEVTC-JTQLQIEISA-N 338.389 1.141 0 40 EDAB Cc1cc(C(=O)NCCN2CCCC2)nc([C@H]2CCCN(C)C2)n1 72369319 ZVIKFXIRQVVOQI-HNNXBMFYSA-N 331.464 1.420 0 40 EDAB CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(Br)n[nH]1 521396323 MNDSYVDSNDGPOS-ZCFIWIBFSA-N 330.104 1.558 0 40 EDAB CN(CCn1cccn1)C(=O)NCC(=O)N1CCc2sccc2C1 78925483 MTIHUBHUTRGPBH-UHFFFAOYSA-N 347.444 1.171 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 521394157 UBXJGFDCNHUQDI-ZACQAIPSSA-N 339.457 1.936 0 40 EDAB C[C@H](N)C(=O)N1CC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79413030 XECUJGRRHADWMX-XJKSGUPXSA-N 331.416 1.736 0 40 EDAB Cc1cccc(C(C)(C)NS(=O)(=O)N2CCC(C(=O)O)CC2)c1 563071535 CNVKLYBPYNHPJG-UHFFFAOYSA-N 340.445 1.861 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)n1ccc2c(cnc3ccnn32)c1=O 40387572 BTGHWNFHWFUWSM-HNNXBMFYSA-N 334.335 1.913 0 40 EDAB Cc1n[nH]c(C)c1C(=O)N1CC[C@H](Oc2cncc(N(C)C)n2)C1 225405990 ZDMDSSVTBQKBLG-LBPRGKRZSA-N 330.392 1.176 0 40 EDAB CNC(=O)c1cccc(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)c1 40776350 OSBYZBCKUNIVCF-SFHVURJKSA-N 339.351 1.775 0 40 EDAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 227161572 XFKKVNDETBWJHC-NXEZZACHSA-N 326.374 1.227 0 40 EDAB C[C@@H](CS(C)(=O)=O)C(=O)Nc1cnn(-c2ccccc2F)c1 88232700 ZMAZQKXHLOUQNT-JTQLQIEISA-N 325.365 1.631 0 40 EDAB CCc1ccccc1-n1c(=O)[nH]c(C(=O)O)c(CN(CC)CC)c1=O 222661736 NBAXEEXDOUZKGJ-UHFFFAOYSA-N 345.399 1.628 0 40 EDAB C[C@@H]1CN(C(=O)Cn2cnnn2)c2cc(Br)ccc2O1 195273450 VDVWSGCMTAXQCS-MRVPVSSYSA-N 338.165 1.250 0 40 EDAB COC(=O)c1cccc(N2CC(=O)N(Cc3ccccn3)C2=O)c1 330032928 VBAHCNQZXICNJV-UHFFFAOYSA-N 325.324 1.837 0 40 EDAB O=C1COC2(CCN(Cc3ccsc3)CC2)CN1c1cncnc1 96159140 YNMZSHOQFSWRMU-UHFFFAOYSA-N 344.440 1.936 0 40 EDAB Cc1c(C(=O)N2CCC(n3cncn3)CC2)c(=O)[nH]c2ccccc12 96454250 BXGWLJCJKINXBB-UHFFFAOYSA-N 337.383 1.905 0 40 EDAB CN(c1ccccc1)C1CCN(c2nc3c(cnn3C)c(=O)[nH]2)CC1 96453760 GETTZGJITDMDMS-UHFFFAOYSA-N 338.415 1.762 0 40 EDAB O=C(c1ccccn1)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96048393 SWEQZXLFQJLYNM-KBXCAEBGSA-N 339.399 1.747 0 40 EDAB O=C(N[C@@H]1CCO[C@]2(CCN(C3CCOCC3)C2)C1)c1cnccn1 96206929 MFEHZKQERVTFKO-RDTXWAMCSA-N 346.431 1.009 0 40 EDAB C[C@H](NC(=O)c1ccc(=O)n(C)n1)c1nc(-c2cccc(F)c2)no1 96432784 UKMIPTIRCFJTEJ-VIFPVBQESA-N 343.318 1.460 0 40 EDAB CCN(CC)C(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)c1cccc(O)c1 96113050 NIPRIDGITKBKMA-JKSUJKDBSA-N 333.432 1.512 0 40 EDAB biogenic,in-vitro Cc1nc(CN2CC[C@H]3OCCN(S(C)(=O)=O)[C@@H]3CC2)cs1 96249467 NXLSTNJOKLYEQV-ZIAGYGMSSA-N 345.490 1.076 0 40 EDAB Cn1ccnc1CNC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccoc2)O1 96055600 GSGIJEIZSARBJI-KFWWJZLASA-N 330.388 1.061 0 40 EDAB COc1cccc(CNS(=O)(=O)Cc2c(F)cccc2F)n1 96487628 WZKXULLEHRZENK-UHFFFAOYSA-N 328.340 1.988 0 40 EDAB Cn1cc(CN2CCC3(CC[C@H](C(=O)NCC4CC4)O3)CC2)cn1 96061166 BIKRWWBTWYOLKN-MRXNPFEDSA-N 332.448 1.460 0 40 EDAB Cn1cc(CN2CCOC[C@@H]2c2nccc(NC3CCC3)n2)cn1 96219793 WNWSRPCMQOBNLM-OAHLLOKOSA-N 328.420 1.748 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CC[C@H](O)[C@@H]1Cc1ccncc1 96200729 YYNQMOPGWKLULF-GJZGRUSLSA-N 326.352 1.628 0 40 EDAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCC1CCOCC1 96222206 HYPKXHAPTNJBKH-HNNXBMFYSA-N 345.399 1.040 0 40 EDAB biogenic Cn1cccc1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 96231670 SRQAEOOOKYPJJV-HNNXBMFYSA-N 340.383 1.152 0 40 EDAB Cc1cc(Br)c(O)c(C(=O)N[C@@H]2CCC[C@@H]2C(N)=O)c1 91683211 AQHSFJPNJFQURP-GZMMTYOYSA-N 341.205 1.847 0 40 EDAB CN(C)c1nc2c(cc1C(=O)O)CCN(C(=O)N1CCCC1)CC2 96189571 IQYYHWYRROLKBO-UHFFFAOYSA-N 332.404 1.462 0 40 EDAB Fc1cnc(N2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)nc1 96042464 KBWIOCLXRTUBLQ-OAGGEKHMSA-N 330.363 1.964 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)N1CCN(C2CC2)CC1)c1ccccc1 95351210 YDHFRRRTAWCUHP-KRWDZBQOSA-N 339.443 1.999 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 253488779 BTYVPDVWQABQMZ-CYBMUJFWSA-N 328.459 1.508 0 40 EDAB CN(C)CCCS(=O)(=O)NCc1noc(-c2cccs2)n1 585114982 IABLJRHXCJGHJH-UHFFFAOYSA-N 330.435 1.169 0 40 EDAB Cc1cc2c(cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)OCC(=O)N2 252494189 NNOOSXVJLXSRGY-QWRGUYRKSA-N 340.401 1.124 0 40 EDAB Cc1noc(CNC(=O)c2ccccc2-n2cc(CN(C)C)cn2)n1 257316026 VDVAFXWJNIFTID-UHFFFAOYSA-N 340.387 1.555 0 40 EDAB Cc1nccc(C(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)n1 257304814 SNFRZFRXQKGAQU-ZDUSSCGKSA-N 326.404 1.642 0 40 EDAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CNC)CCO2)n1 257342661 ZPQAHRLAIIHGHW-INIZCTEOSA-N 344.415 1.727 0 40 EDAB CN(C)C(=O)c1cnn2c([C@H]3CCN(C(=O)C(C)(C)C)C3)ccnc12 257257031 KNVNGTAMQKKQHM-LBPRGKRZSA-N 343.431 1.793 0 40 EDAB Cn1ccc2ccnc(CC3CN(S(=O)(=O)N4CCCC4)C3)c21 257310595 UFVDQNQRRFIDTJ-UHFFFAOYSA-N 334.445 1.388 0 40 EDAB O=C(N[C@@H]1CCCNC1=O)c1cncc(Cc2ccc(F)cc2)c1 257214621 CMQRPETXCVTRDB-MRXNPFEDSA-N 327.359 1.820 0 40 EDAB CN1C[C@@]2(C)CN(C(=O)c3c[nH]c4ccccc34)C[C@@](C)(C1)[C@@H]2O 252448852 ZWXXWQXGNIKCTR-REPLKXPHSA-N 327.428 1.943 0 40 EDAB biogenic CN(C)c1cc(CC[C@@H]2CN(C(=O)c3cnn(C)c3)CCO2)ccn1 257305884 SRYCMYWPYXQJLM-MRXNPFEDSA-N 343.431 1.355 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)Cc3sc(C)nc3C)CCO2)n1 257267972 MJSYQHQXJQLNEN-ZDUSSCGKSA-N 348.428 1.707 0 40 EDAB COC(=O)CCN1CC[C@H](N2CCC[C@@H](c3ccncc3)C2)C1=O 595489130 NTZHXDYQRSJDIE-CVEARBPZSA-N 331.416 1.425 0 40 EDAB CC(=O)N1CC[C@@H](NC(=O)N[C@H](C)c2cc(F)ccc2N(C)C)C1 1615554918 WFWPGFXYTLSQBA-BXUZGUMPSA-N 336.411 1.873 0 40 EDAB C[C@@H](NC(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1nnnn1C 1615571361 JRSDOUWPXDKMKM-YPMHNXCESA-N 348.382 1.663 0 40 EDAB N[C@@H]1C[C@@H]2C[C@H](C(=O)N3CCn4c(cnc4C(F)(F)F)C3)C[C@@H]21 1615544793 DBXLUSJHEOTIMO-FSZOTQKASA-N 328.338 1.618 0 40 EDAB COCC[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)c2ccccc21 1615616311 XOJKDNAVSCMPPI-CYBMUJFWSA-N 345.399 1.485 0 40 EDAB Cc1cc(N2CCN(C(C)(C)CO)CC2)nc(-c2cccnc2)n1 605398080 AAOXLHCBSAYMPW-UHFFFAOYSA-N 327.432 1.740 0 40 EDAB Cc1c(S(=O)(=O)N(C)c2cccc(CCC(=O)O)c2)cnn1C 291976609 UJHIUBXCBLELJZ-UHFFFAOYSA-N 337.401 1.571 0 40 EDAB CCc1ccc(S(=O)(=O)N(CC)[C@@]2(C)CCS(=O)(=O)C2)cc1 575421386 PYWGZJVFEWONRU-HNNXBMFYSA-N 345.486 1.837 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@H](CNC(=O)c2cscn2)C1 575404793 DNECEFPFQDRCRT-GFCCVEGCSA-N 333.417 1.309 0 40 EDAB CCN(CC)[C@H]1CCN(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C1 585091026 MRTOYQKDQIPHJY-STQMWFEESA-N 336.440 1.282 0 40 EDAB Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCCC3)CC[C@@H]2O)cc1 585283162 QMRPVIBVISTABN-HKUYNNGSSA-N 335.444 1.477 0 40 EDAB CCN(C(=O)c1ccc2[nH]c(C)c(C)c2c1)[C@@H]1COC[C@@H](O)[C@H]1O 585286972 POKSDUMTURLYHX-ZACQAIPSSA-N 332.400 1.367 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CC(F)(F)C2)C1 585095874 RFKJJGOVSXGFDF-KGYLQXTDSA-N 338.358 1.290 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)c2nnnn2-c2ccccc2)no1 44954059 DQFZZLUWGMWQDQ-NSHDSACASA-N 333.373 1.635 0 40 EDAB Cn1ccnc1COc1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 54021253 BNXKREPZPVWSHS-GFCCVEGCSA-N 349.412 1.372 0 40 EDAB CCn1nc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c2ccccc2c1=O 56017168 OURAHUBUCCGYTI-VXGBXAGGSA-N 342.399 1.142 0 40 EDAB CN(C)C(=O)CCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 69384737 GZEILSNPZJCXLJ-UHFFFAOYSA-N 344.415 1.653 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c1 96099705 GEPUUHGSANMQFI-MRXNPFEDSA-N 338.473 1.523 0 40 EDAB Cn1ccc([C@H]2CCCN(S(=O)(=O)CCC(F)(F)F)C2)n1 585389847 QUFASSPIUSGSNT-JTQLQIEISA-N 325.356 1.882 0 40 EDAB COc1cc(Br)c(CN[C@H]2CCCNC2=O)cc1OC 95957200 CXBJNHCCFWOFSH-NSHDSACASA-N 343.221 1.835 0 40 EDAB COCCCNC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O 8103716 CFXCVEYSJMXOIQ-FLIBITNWSA-N 340.426 1.937 0 40 EDAB COc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)N2S(=O)(=O)N(C)C)cc1 12085401 UOOULBVXCDDOQJ-ZENOOKHLSA-N 340.445 1.733 0 40 EDAB NC(=O)c1nc(-c2ccncc2)nc2c1[nH]c(=O)n2C1CCCCC1 12338264 DBYQZLOOTUQWOS-UHFFFAOYSA-N 338.371 1.786 0 40 EDAB C[C@H]1Cc2cc([C@H](O)CN3CCN(c4cnccn4)CC3)ccc2O1 19498058 CUYSGNLFFPOTSS-WMLDXEAASA-N 340.427 1.656 0 40 EDAB CCc1nc2ccccc2c2nn(CC(=O)N3CCCCC3)c(=O)n12 19523248 HONLMNDTUTXOFJ-UHFFFAOYSA-N 339.399 1.619 0 40 EDAB COC[C@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937718 GRZBHHGKYZNLSP-JTQLQIEISA-N 335.791 1.784 0 40 EDAB Cc1noc(C)c1C(=O)N1CC[C@@H](Oc2cncc(N(C)C)n2)C1 225403684 ANFRFMJMDQXULX-GFCCVEGCSA-N 331.376 1.441 0 40 EDAB CC(=O)N1CCC(C(=O)N2CC[C@@H](Oc3ccc(C)nn3)C2)CC1 225422244 POBGLFOYGYASBU-OAHLLOKOSA-N 332.404 1.023 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCC(=O)c1cccs1 6497153 KDXHDELGTGJQIG-SECBINFHSA-N 326.374 1.488 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)[C@H]2CCOC2)C3)nc1 1888859586 ZUBCVXGSPROUGJ-RLFYNMQTSA-N 331.416 1.829 0 40 EDAB Cc1cccnc1CN1CCC[C@]1(C(=O)N(C)C)c1cnccn1 1848352049 WIVDPHFESZNPMU-GOSISDBHSA-N 325.416 1.760 0 40 EDAB COc1cc(C(=O)N[C@@H](C)c2ccncc2)ccc1OCC(N)=O 27406620 UTVQJOQINJRRHB-NSHDSACASA-N 329.356 1.445 0 40 EDAB Fc1cncnc1N1CCN(c2ccc(-c3ccccn3)nn2)CC1 1776008379 CEHPQVJRKGWVBW-UHFFFAOYSA-N 337.362 1.794 0 40 EDAB Cn1cnnc1CNCc1cc(Br)c2c(c1)OCO2 37989034 GTKKIJKGBSOYEW-UHFFFAOYSA-N 325.166 1.596 0 40 EDAB C[C@@H]1CN(c2ccc3nncn3n2)CCN1Cc1ccncc1F 2086968236 ZQDPHWKQVJKXDF-GFCCVEGCSA-N 327.367 1.369 0 40 EDAB Cc1nc(C(=O)N2CC3(C2)CN(C(C)C)c2nccnc23)cs1 1565556449 UDDVINYJXCFSON-UHFFFAOYSA-N 329.429 1.864 0 40 EDAB O=C(CCc1cncnc1)N1CCC2(CCC(=O)N2CC2CC2)CC1 1565546923 HAZFBFCTQBHZBY-UHFFFAOYSA-N 342.443 1.803 0 40 EDAB CCCNC(=O)COc1cccc2c(=O)n(CCOCC)ccc12 4584394 ACINVSZBCLCJNL-UHFFFAOYSA-N 332.400 1.943 0 40 EDAB O=S(=O)(NCc1nnnn1-c1ccccc1)c1ccc(F)cc1 9571162 HBZCNLKEXQYBAQ-UHFFFAOYSA-N 333.348 1.280 0 40 EDAB COc1ccc(-c2cc(=O)n(CC(=O)NC[C@@H]3CCCO3)cn2)cc1 13807104 JSBKONKYEWFUHY-HNNXBMFYSA-N 343.383 1.214 0 40 EDAB Cc1cc(N2CCN(CC3(O)CCCC3)CC2)nc(N2CCCC2)n1 2298182802 NNRVIGPVDZQWFE-UHFFFAOYSA-N 345.491 1.812 0 40 EDAB O=C([C@@H]1CSCN1c1ccc(C(F)(F)F)cn1)N1CCOCC1 40157395 DRGOFACPHBJGMN-NSHDSACASA-N 347.362 1.839 0 40 EDAB CC(C)CNC(=O)NC(=O)CNc1ccc(-n2cccn2)c(F)c1 40155650 JKAKQALDWMCAFQ-UHFFFAOYSA-N 333.367 1.905 0 40 EDAB O=C(c1ccc(O)nn1)N1CCCN(Cc2ccc(F)cc2)CC1 30896916 UPSKLGITOIGONX-UHFFFAOYSA-N 330.363 1.669 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)cc1F 40489147 WHGSJIMTDSCVGS-CQSZACIVSA-N 344.390 1.890 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)c2cncn2-c2ccccc2)CC1 40497295 BKAMQUCZCISKHI-UHFFFAOYSA-N 348.428 1.026 0 40 EDAB Cc1ccsc1CNC(=O)Cn1nnc(COc2ccccc2)n1 40500907 CXXXCNYIGZNADV-UHFFFAOYSA-N 343.412 1.938 0 40 EDAB NC(=O)C1CCN(CCCNC(=O)Cc2noc3ccccc23)CC1 40536370 JYNSALDOTXYXCR-UHFFFAOYSA-N 344.415 1.074 0 40 EDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cn[nH]c1 40512163 HQXCAPKCXIGUAA-ZDUSSCGKSA-N 347.400 1.112 0 40 EDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccc(Cl)s1 40505297 TVGGXSWVUGJBJD-NWDGAFQWSA-N 344.864 1.869 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)CN2CCOCC2)cc1C 40528169 DPSCENYFMITHMO-AWEZNQCLSA-N 342.461 1.393 0 40 EDAB CCOC(=O)C1CCN(C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 40526631 VOEBRIFYUZKNKN-UHFFFAOYSA-N 344.375 1.469 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2c[nH]ccc2=O)C1=O 40555043 HVWOZDAPRDJFIA-NSHDSACASA-N 327.340 1.518 0 40 EDAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCC1 29651545 RXWRYLONUAENOE-UHFFFAOYSA-N 339.413 1.634 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CCCC[C@@H]1C1OCCO1 69438762 DLTWXPBUAMGMTH-CQSZACIVSA-N 329.360 1.030 0 40 EDAB Cc1ccccc1-c1noc(=O)n1CC(=O)Nc1c(C)nn(C)c1C 69420041 OJVIIJBCRZDCTL-UHFFFAOYSA-N 341.371 1.801 0 40 EDAB O=C(NCCC(=O)N1CCCCC1)c1cccnc1N1CCCC1 46461187 SJJUDJISDCSMTE-UHFFFAOYSA-N 330.432 1.814 0 40 EDAB COC(=O)c1cc(NCC(=O)NCC(F)(F)F)cc(C(=O)OC)c1 29940573 ZVHICUKIYQTSJP-UHFFFAOYSA-N 348.277 1.350 0 40 EDAB CC(C)n1nc2c(cc1=O)CN(CC[S@](=O)c1ccccc1)CC2 76064977 FCCLUVQULUPRHA-XMMPIXPASA-N 345.468 1.990 0 40 EDAB C[C@@H]1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1N(C)C 78895031 DJBDRBLVFWXYGO-IUODEOHRSA-N 328.416 1.264 0 40 EDAB Cc1n[nH]c([C@H]2CN([C@@H](C)C(=O)N(C)Cc3ccco3)CCO2)n1 78879681 XEZWFWHBICCUDJ-SMDDNHRTSA-N 333.392 1.127 0 40 EDAB Cc1cc(CNC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)no1 78964472 BBYDDFNTIJMMQL-CYBMUJFWSA-N 334.420 1.963 0 40 EDAB O=C([C@H]1CCCN1C(=O)c1cccc(Cl)n1)N1CCSCC1 79046684 MPJPLLWDPRZFQH-GFCCVEGCSA-N 339.848 1.915 0 40 EDAB Cc1cc(=O)[nH]c2nnc(SCC(=O)Nc3ccccc3F)n12 4249879 NZVJNTZIFLDTED-UHFFFAOYSA-N 333.348 1.596 0 40 EDAB CC(=O)Nc1nn(S(=O)(=O)c2ccc(N)cc2)c(=S)s1 6692669 SVUAFYKOWJLQSG-UHFFFAOYSA-N 330.416 1.452 0 40 EDAB CN1CCN(CCCNC(=O)c2cc(-c3ccccc3)on2)CC1 53287773 SELMBRKKWFCIBB-UHFFFAOYSA-N 328.416 1.709 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCc2ccnc(OC3CCCC3)c2)C1 42061286 PVJKVOKQXKOPNW-AWEZNQCLSA-N 346.431 1.810 0 40 EDAB C[C@H](OC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C)C(=O)N1CCNC1=O 8484645 YZJZRHAYHMHRDY-DCAQKATOSA-N 332.356 1.668 0 40 EDAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCCn3cccn3)cc21 57280409 GYFNRBLWRXRREB-UHFFFAOYSA-N 348.428 1.481 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccccn1 56635937 GQCFUERBWOYQMC-LLVKDONJSA-N 337.376 1.204 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccncc2)n(C)c1 42796962 GWPZSSUAVYCQBL-AWEZNQCLSA-N 348.428 1.306 0 40 EDAB CC(=O)Nc1ccc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1 24084502 JWVSEFJXJICGFJ-KRWDZBQOSA-N 333.432 1.732 0 40 EDAB COc1ccc(CCC(=O)NCCCC(N)=O)cc1Br 42925078 USZSOJRTXWDYOG-UHFFFAOYSA-N 343.221 1.772 0 40 EDAB O=C(NCc1ccccc1)[C@@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]1O2 107264969 IIURDLMYTHLEBP-IPMKNSEASA-N 337.423 1.987 0 40 EDAB C[C@H](OC(=O)c1nccnc1N)C(=O)NC[C@H](C)c1ccccc1 24794567 STACVBWTNBIGPR-RYUDHWBXSA-N 328.372 1.524 0 40 EDAB CCC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245792 YXFDVJRSDQBXSM-GFCCVEGCSA-N 327.450 1.848 0 40 EDAB CNC(=O)c1cc(NC(=O)c2[nH]ncc2Br)ccc1F 72293488 QQIQHUSSYVPKMV-UHFFFAOYSA-N 341.140 1.923 0 40 EDAB Cn1ncc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1-n1cccc1 72273589 QXWGNCWQMZSGKR-INIZCTEOSA-N 349.394 1.746 0 40 EDAB CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)C1CCCCCC1 29167322 SEWPFYIBCIVEJE-QGZVFWFLSA-N 345.443 1.921 0 40 EDAB CS(=O)(=O)N1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 179785722 POLGQBYXEPSRSK-UHFFFAOYSA-N 340.342 1.922 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C)nc2)cc1 25842124 BBGDIKMXLWUHLK-UHFFFAOYSA-N 333.413 1.369 0 40 EDAB Cn1cc(CNC(=O)c2cc(I)c[nH]2)cn1 72285765 SIVKXWBTVNQLCF-UHFFFAOYSA-N 330.129 1.283 0 40 EDAB COc1ccc(C2(CNc3ccc4nnnn4n3)CCOCC2)cc1 57149968 DZBQBUXUYTZRKX-UHFFFAOYSA-N 340.387 1.688 0 40 EDAB O=C(CNc1cc(N2CCC[C@@H]2CO)ncn1)NCc1ccccc1 72276113 KROLPIUSZGSZQF-OAHLLOKOSA-N 341.415 1.166 0 40 EDAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cnc(C)cn2)cc1OC 72293251 DPHINVKRJWXHAN-GFCCVEGCSA-N 345.355 1.748 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)[C@@H]3CCCN3C2=O)c1 12568565 OHUWBGVASWPGDZ-ZDUSSCGKSA-N 345.355 1.147 0 40 EDAB Cn1c(=O)n(CC(=O)NCCc2cccc(O)c2)c2ccccc21 58193244 YAOUJIXZOINUHE-UHFFFAOYSA-N 325.368 1.405 0 40 EDAB COc1ccc([C@H](C)N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1 100745404 REKWHZMALYIKHA-GBCNLWKTSA-N 329.352 1.623 0 40 EDAB CS(=O)(=O)c1ccc2nc(NC(=O)c3csnn3)sc2c1 27663038 MKAOTJPJANZZGZ-UHFFFAOYSA-N 340.411 1.804 0 40 EDAB Cn1cncc1CN1CCC2(CC(NC(=O)c3cscn3)C2)C1 108526232 UOORAYDIIMPANB-UHFFFAOYSA-N 331.445 1.661 0 40 EDAB C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)N1CCOCC1 58278948 ATPUFIGPEHXJBC-RYUDHWBXSA-N 340.807 1.471 0 40 EDAB O=C(NCCCNC(=O)[C@@H]1COc2ccccc2O1)c1cccs1 58269140 OUTRLXLSCMRDMK-AWEZNQCLSA-N 346.408 1.824 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(C(=O)O)c1 58299074 QRVMGSIRRLGRNB-UHFFFAOYSA-N 348.336 1.929 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)NCc1nncn1-c1ccccc1 44939765 KLTZCDATNKIEBT-JTQLQIEISA-N 328.294 1.851 0 40 EDAB CC(C)(C)c1nc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)no1 44937679 OCCCWHJFIJIRLS-ZDUSSCGKSA-N 336.436 1.438 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NOCc1ccccc1 10319365 RWPVDVKEEJKMGA-UHFFFAOYSA-N 339.351 1.328 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N1CCCN(C(=O)OCC(C)C)CC1 58378305 VPHVGRRGKVWXOV-ZDUSSCGKSA-N 342.440 1.021 0 40 EDAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)N2CCOCC2)cc1Cl 10943420 BKCZPYSRQIFFCG-JTQLQIEISA-N 325.796 1.958 0 40 EDAB CCn1cnnc1CNC(=O)N[C@H](C)c1cc(OC)ccc1OC 48153804 KYFVNXPVJLEWBS-LLVKDONJSA-N 333.392 1.876 0 40 EDAB COC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 12878242 NYDICJVPCOADEJ-UHFFFAOYSA-N 338.367 1.847 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)NC(N)=O)c(F)c1 3434644 MFXPLCNEHYIABD-CYBMUJFWSA-N 339.367 1.699 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)c1C 69570593 OYVAOSSEAUSVIS-LBPRGKRZSA-N 348.353 1.674 0 40 EDAB O=C(CCn1nc2c(cc1=O)CCC2)NC(=O)NCc1ccccc1 69519252 ONUSTWPBGXMJJB-UHFFFAOYSA-N 340.383 1.148 0 40 EDAB CC(C)N1C[C@H](C(=O)N2CCC(Nc3cccnn3)CC2)CC1=O 69655452 FLYSQSBBYFLZEC-CYBMUJFWSA-N 331.420 1.136 0 40 EDAB CC(C)[C@H](CNS(=O)(=O)c1cccs1)N1CCN(C)CC1 49736956 TUGNPCVDYSUFHL-ZDUSSCGKSA-N 331.507 1.298 0 40 EDAB Cc1ccc(N2CCCN(C(=O)CCc3ccncc3)CC2)nn1 69810396 BBDXNJVCCBNWRF-UHFFFAOYSA-N 325.416 1.852 0 40 EDAB CCC(CC)(CCCNC(=O)[C@H](C)S(C)(=O)=O)C1OCCO1 69845208 NTPBMQDUIWXWIZ-LBPRGKRZSA-N 335.466 1.495 0 40 EDAB C[C@@H](NC(=O)CNC[C@@H]1CN(C)CCO1)c1ccc2c(c1)CCCC2 69869739 ZPCCMUBIAYJCCY-DNVCBOLYSA-N 345.487 1.663 0 40 EDAB CSc1ccc(N2C[C@H](C(=O)NCCN(C)C3CC3)CC2=O)cc1 65433726 HOUGNDDGMHAHED-CYBMUJFWSA-N 347.484 1.972 0 40 EDAB CCOC(=O)c1sc2nc(C)nc(N3CCNC(=O)CC3)c2c1C 14020961 HRGOKIAPIPEZKC-UHFFFAOYSA-N 348.428 1.811 0 40 EDAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NCCN1CCN(C)CC1 65613049 HNMOEFPJPOEKGG-UHFFFAOYSA-N 332.423 1.522 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3c(cnn3C)c2=O)c1C 14245066 JTVNHYZQTZCXRD-UHFFFAOYSA-N 327.344 1.160 0 40 EDAB Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cs2)cc1 5564636 JFKYVVSXKFOMPF-VIFPVBQESA-N 333.369 1.859 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1CCOC1 96009934 WOEGJPBRVHRHCN-SMDDNHRTSA-N 329.466 1.859 0 40 EDAB O=C([C@H]1CCCCN1C(=O)c1ccc2c(c1)OCO2)N1CCOCC1 66485732 LXEPEOVBFDXELE-CQSZACIVSA-N 346.383 1.269 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 5938520 LPSNRKVSZGNHKT-UHFFFAOYSA-N 337.228 1.846 0 40 EDAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCNC(C)=O)c1 5943690 OMUUKTYGPUXUNU-UHFFFAOYSA-N 341.433 1.182 0 40 EDAB COc1ccc(CNC[C@@]2(N3CCOCC3)CCSC2)cc1O 67218679 PIZITDWCTVMTEG-KRWDZBQOSA-N 338.473 1.698 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)c1 71185418 WRIHXXKXVVVPPZ-AWEZNQCLSA-N 337.383 1.677 0 40 EDAB Cc1ccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1C 67556280 KUADGYIIKYTUFC-AWEZNQCLSA-N 325.434 1.849 0 40 EDAB Cn1cc(S(=O)(=O)Nc2ccn(CCc3ccncc3)n2)cn1 67890697 HAVLVPKAJLQLHC-UHFFFAOYSA-N 332.389 1.055 0 40 EDAB NC(=O)c1ccc(O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1 7541176 NXXFLMFVWYZELR-KRWDZBQOSA-N 340.379 1.764 0 40 EDAB CC(C)C(=O)N1CCCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 68189130 HTAMLXWBYUUXNT-INIZCTEOSA-N 330.428 1.955 0 40 EDAB CC(C)(C)OC(=O)N1CCc2[nH]c(=O)c(S(C)(=O)=O)cc2C1 68577370 WSSCWGQHRJSJBV-UHFFFAOYSA-N 328.390 1.072 0 40 EDAB in-vitro CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)c1 16736953 FWXQYDNZWWJJNP-UHFFFAOYSA-N 348.424 1.989 0 40 EDAB CCCS(=O)(=O)N1CCC(C(=O)NC[C@H](C)N(CC)CC)CC1 69119363 PWWSLAISKMHCAW-AWEZNQCLSA-N 347.525 1.285 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cccn1)NCCc1c(F)cccc1F 70040755 MKVJNACTSJSTCR-CQSZACIVSA-N 348.397 1.985 0 40 EDAB Cc1noc([C@@H](C)N2CCN(Cc3cccc(C(N)=O)c3)CC2)n1 69387114 YXTXLIDDOHHGCL-GFCCVEGCSA-N 329.404 1.356 0 40 EDAB O=C(Nc1cc(=O)[nH]c2nc(-c3ccco3)nn12)c1cccs1 9358206 PKRCLCWVPGWUKN-UHFFFAOYSA-N 327.325 1.991 0 40 EDAB Cc1cnc(CN2CC[C@@H](N(C)Cc3nnc(C4CC4)n3C)C2)o1 84259355 SGKSIWIFXAKBJT-CQSZACIVSA-N 330.436 1.695 0 40 EDAB O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1cnn[nH]1 96423843 CLICZSZSXBRKHH-UHFFFAOYSA-N 335.673 1.681 0 40 EDAB Cn1nc(C(=O)N2CCC[C@@H]2Cn2cccn2)c2ccccc2c1=O 71866186 SPNMCQRURGEVFL-CYBMUJFWSA-N 337.383 1.435 0 40 EDAB O=C(C[C@@H]1CCc2ccccc2C1)NCCN1C(=O)CSC1=O 71899395 ZANVLJWQJGOEEV-GFCCVEGCSA-N 332.425 1.993 0 40 EDAB COC(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)s1 83895841 JHSHCHHTDOURFZ-LBPRGKRZSA-N 344.392 1.587 0 40 EDAB O=C(NCc1cccc(CO)c1)N1CCN(Cc2ccon2)CC1 84367317 YAIRRZDPDSWBNO-UHFFFAOYSA-N 330.388 1.194 0 40 EDAB c1ccc2c(c1)nnn2CCCn1ccnc1-c1cc2n(n1)CCNC2 72419782 SPEMPDBMVCDMFL-UHFFFAOYSA-N 348.414 1.685 0 40 EDAB Cc1nc2c3c(C)c(C)n(CCCN4CCOCC4)c3ncn2n1 20623100 CXMJGOXOQWRFHP-UHFFFAOYSA-N 328.420 1.727 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)Cc2ccsc2)co1 95439368 MWSIRXUFFWAGBC-VIFPVBQESA-N 328.415 1.610 0 40 EDAB COc1cccc(-n2nc(C)c([C@H]3COCCN3C(N)=O)c2C)c1 95998840 ZDDQTINIMZEBBU-OAHLLOKOSA-N 330.388 1.950 0 40 EDAB O=C(NCCc1ccc(Cl)s1)N[C@@H]1CCCS(=O)(=O)C1 95985685 JDQWDNWWKLLUEJ-SECBINFHSA-N 336.866 1.820 0 40 EDAB COCCNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 113956370 LFBUNAAZAKUINL-UHFFFAOYSA-N 348.852 1.649 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)c1cc3ccccc3[nH]c1=O)C2 75129101 IRJSHOOJGXTHHE-UHFFFAOYSA-N 349.394 1.583 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)NC[C@@H](c1cccs1)N(C)C 89885225 KYVURYOUWYVDGF-LBPRGKRZSA-N 326.466 1.517 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@@H](C)O1 22611916 OIXFSLGABMENBD-VXGBXAGGSA-N 349.456 1.570 0 40 EDAB CC[C@@H](CO)N1CCN(C(=O)c2cccc(Br)c2)CC1 89943509 RGBZDRPTIRFWOI-AWEZNQCLSA-N 341.249 1.978 0 40 EDAB CNC(=O)c1cccnc1N1CCC(OCCN2CCCC2)CC1 301448862 ZYWKZMOGJWNTGY-UHFFFAOYSA-N 332.448 1.522 0 40 EDAB CCOCCCNC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 408624420 UKZHTQMIHYKKOS-UHFFFAOYSA-N 346.424 1.130 0 40 EDAB Cn1nc(C(=O)N[C@]2(C)CCN(CC[C@H]3CCOC3)C2)cc1Cl 1046474876 XBFBRKPLDHKSJU-BLLLJJGKSA-N 340.855 1.694 0 40 EDAB CCc1nnc(Nc2cc(C)nc([C@H]3CCN(C(=O)CN)C3)n2)s1 72382994 LLVINHMTQULYPE-JTQLQIEISA-N 347.448 1.217 0 40 EDAB CCC[C@@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)O 3196070 RWZVDRODCAYCMG-CYBMUJFWSA-N 333.340 1.850 0 40 EDAB biogenic Cn1cccc1[C@H]1CCCN1C(=O)CNC(=O)NCc1ccco1 79355340 MKUSZJMFXKWUQS-OAHLLOKOSA-N 330.388 1.781 0 40 EDAB COc1ccccc1[C@H]1c2c(C)n[nH]c2Nc2[nH]c(=O)[nH]c(=O)c21 31812238 HAACAGCIFFHGAJ-NSHDSACASA-N 325.328 1.341 0 40 EDAB COC(=O)CN1CCO[C@@H](COc2cccc(Br)c2)C1 217497349 UESZMPMQVHEAQR-CYBMUJFWSA-N 344.205 1.702 0 40 EDAB CN(C(=O)c1ccc[nH]c1=O)C1CCN(C(=O)OC(C)(C)C)CC1 79338332 BQULUOXGZWIGSL-UHFFFAOYSA-N 335.404 1.846 0 40 EDAB CC(C)c1nc2cc(NC(=O)C(=O)NCc3cnn(C)c3)ccc2o1 77731591 UKYXDGFZIMEFJE-UHFFFAOYSA-N 341.371 1.940 0 40 EDAB O=C(NCCn1nc(-n2cccn2)ccc1=O)c1cc2ccccc2o1 70640967 OJQSMDQBMWFIJG-UHFFFAOYSA-N 349.350 1.605 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)N1CCNCC1 35577356 OHTVCYUGPJOBPR-UHFFFAOYSA-N 335.223 1.052 0 40 EDAB CCc1cc(N2CCc3[nH]nc(C(=O)N(C)C)c3C2)n2nccc2n1 72473390 TWZKPAPINMUMAS-UHFFFAOYSA-N 339.403 1.279 0 40 EDAB Cc1cc(C)nc(NCCC(=O)NCc2nnc3ccccn23)n1 79474949 LBTMBJAAGXFXRI-UHFFFAOYSA-N 325.376 1.255 0 40 EDAB CCN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)CN 79392922 AFXLMVJKLZNEJR-UHFFFAOYSA-N 333.432 1.842 0 40 EDAB COc1ccc(S(=O)(=O)NCCCOC[C@H]2CCCO2)cc1C 30325788 WNHYNDWUKRWWLF-CQSZACIVSA-N 343.445 1.868 0 40 EDAB Cc1c(C(=O)N2CCC(Nc3ncc(Cl)cn3)CC2)cnn1C 1057275286 AECKTRRVQNVCCT-UHFFFAOYSA-N 334.811 1.889 0 40 EDAB CC(=O)N1CCN(C(=O)CN2C[C@@H](C)C[C@H]2c2ccccc2F)CC1 75900793 DTLQXUASPNGXBG-KSSFIOAISA-N 347.434 1.899 0 40 EDAB CNC1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 79440523 FTLCCKNIFBMMGT-UHFFFAOYSA-N 333.251 1.822 0 40 EDAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCC(C)C 217425891 LSYOMORVHCNKCQ-NSHDSACASA-N 344.433 1.766 0 40 EDAB Cn1cc(CNC(=O)[C@@]2(C)Oc3ccc(Cl)cc3NC2=O)cn1 41548842 DDHBPVYUBULREY-OAHLLOKOSA-N 334.763 1.480 0 40 EDAB Cc1cc(Br)cnc1N1CCC[C@@H](NS(C)(=O)=O)C1 131388748 NQABCGQQQRYJCH-LLVKDONJSA-N 348.266 1.671 0 40 EDAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C)c1 223705919 RRYZHVBHFOWIMW-HOTGVXAUSA-N 344.440 1.956 0 40 EDAB O=C(c1cc2n(n1)CCCO2)N1CCC[C@@H](Oc2cnccn2)C1 225474863 HSJJJZGHHNPLFK-GFCCVEGCSA-N 329.360 1.139 0 40 EDAB Cc1nccn1Cc1cccc(CNS(=O)(=O)[C@H]2CCO[C@@H]2C)c1 135513399 DGBFIAJSDFCYMI-DYVFJYSZSA-N 349.456 1.837 0 40 EDAB O=C(CNC[C@H]1CCCO1)N1CCN(c2ccc(Cl)cc2)CC1 225474817 FWPLVFGRPGJLRS-MRXNPFEDSA-N 337.851 1.757 0 40 EDAB COC[C@H](O)CN1CCC(N[C@@H]2CCCNc3ccccc32)CC1 193056989 LAMWRRUQSZALML-VQIMIIECSA-N 333.476 1.995 0 40 EDAB CO[C@@H]1CN(C(=O)NCc2ccc(-n3cncn3)cc2)CC[C@@H]1C 225490965 YZKIZZPTSPGTIB-XJKSGUPXSA-N 329.404 1.834 0 40 EDAB C[C@@](CO)(NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1CC1 195540199 ICRQNYIBOZLJDU-LPHOPBHVSA-N 346.475 1.754 0 40 EDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)Cc3ccccc3F)C2)nn1 225447320 COHOZYPLJQJUTO-AWEZNQCLSA-N 344.390 1.904 0 40 EDAB CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)C(=O)O 230037570 ODAIHABQVKJNIY-HTOAHKCRSA-N 340.420 1.462 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1nn(C)c(=O)c3ccccc13)C2 97198819 PCFLLGOWHJTBRE-LBPRGKRZSA-N 337.383 1.183 0 40 EDAB O=C1CO[C@]2(COCCN(Cc3ccccn3)C2)CN1c1ccoc1 96051403 RVYZURWQMNSMHY-SFHVURJKSA-N 343.383 1.309 0 40 EDAB C[C@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1nc(N)nc(N(C)C)n1 96459469 HGUQTLPCZHYAIT-XEZPLFJOSA-N 342.447 1.870 0 40 EDAB COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cccc(OC)c1)CC[C@H]2OC 96110982 ODOLFDSJVVWCIE-RCCFBDPRSA-N 348.443 1.503 0 40 EDAB O=C(c1ccnnc1)N1CCC2(CC[C@H](C(=O)N3CCCC3)O2)CC1 96061254 UFPAPZUBHQVHON-OAHLLOKOSA-N 344.415 1.253 0 40 EDAB COc1cc(N2CCC3(CCOC[C@@H]3NC(=O)C(C)C)CC2)ncn1 96219218 DUIKVHYVFQKDLB-AWEZNQCLSA-N 348.447 1.633 0 40 EDAB Cc1nccn1Cc1cccc(NC(=O)[C@H](C)CS(C)(=O)=O)c1 95406026 OEDBBQIVJWVBGU-GFCCVEGCSA-N 335.429 1.859 0 40 EDAB CC(C)NC(=O)N1CC[C@@]2(C[C@@H]2C(=O)N(C)Cc2ccccn2)C1 96227447 FQUQMTKRKHJSHH-CRAIPNDOSA-N 330.432 1.870 0 40 EDAB COCCN1[C@@H](C)CN(c2ccc(S(C)(=O)=O)cc2)C[C@@H]1C 97371917 XFJSKNZZTXAGBT-KBPBESRZSA-N 326.462 1.636 0 40 EDAB CN1CC2(CCN(C(=O)c3cnn(C)c3)CC2)C[C@@H]1COCC1CC1 96207273 SBGPDVCSGWZMLP-QGZVFWFLSA-N 346.475 1.773 0 40 EDAB O=C([C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)O1)N1CCOCC1 96057491 TYOYORCHEULKFS-BZUAXINKSA-N 336.457 1.729 0 40 EDAB Cn1cc(N2CC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2=O)cn1 96050544 UQBBGHCHIDYGLY-QGZVFWFLSA-N 325.372 1.084 0 40 EDAB COC[C@@H]1COCCC12CCN(C(=O)c1cccnc1OC)CC2 96106354 YTTNOCTYAKHAFO-CQSZACIVSA-N 334.416 1.996 0 40 EDAB O=C1CO[C@@H]2CN(CC3CCOCC3)C[C@H]2N1Cc1cccc(F)c1 96081656 AHQPCKSPEOGNBT-QZTJIDSGSA-N 348.418 1.664 0 40 EDAB Cc1ccc(CN2CCCn3c(nc(Cn4ccnc4)cc3=O)C2)o1 96059599 FAQOTCODUJYMLK-UHFFFAOYSA-N 339.399 1.795 0 40 EDAB COc1ccc(CC(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OC)c(OC)c1 96041435 HRLMLLVNQBUNOZ-HDMKZQKVSA-N 335.400 1.651 0 40 EDAB COc1ccc(S(=O)(=O)NCc2nnc3ccc(C)cn23)c(C)c1 583650967 CEJJEXUFVUGXOD-UHFFFAOYSA-N 346.412 1.833 0 40 EDAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1ccco1)CC2 96197440 TXRDYZPXXVWNHK-UHFFFAOYSA-N 339.399 1.760 0 40 EDAB COCCn1ccc(NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)n1 96434482 MONWFMLZKCWKQP-NSHDSACASA-N 334.424 1.633 0 40 EDAB C[C@H]1CN(CCCCNC(=O)c2ccc3nncn3c2)C[C@H](C)O1 96459418 HNSDMLBKQYUCKJ-KBPBESRZSA-N 331.420 1.349 0 40 EDAB CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)NCC2CCC2)C1 583651934 WLAPCIGCODBQKY-CYBMUJFWSA-N 348.465 1.342 0 40 EDAB O=C(NCC1CCCCC1)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCCC2)C1 96253218 VUURKKWTEUWYHU-IXDOHACOSA-N 349.475 1.988 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)Nc2ccn(-c3ccccc3)n2)cn1 96421841 RZHGRMXAPISICH-KRWDZBQOSA-N 340.387 1.635 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(Cl)c2)Cc2cncn21 247964782 RXBWGMLCFMIVRJ-ZDUSSCGKSA-N 348.790 1.488 0 40 EDAB C[C@@H](O)CNC(=O)C1(c2ccc(I)cc2)CC1 252480692 CDAMVEJHSNBSNK-SECBINFHSA-N 345.180 1.820 0 40 EDAB CCCn1ccc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n1 257220440 DKVPJWRHWLFABL-DJIMGWMZSA-N 329.400 1.994 0 40 EDAB O=C(CCc1cccnc1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257238242 HKCHZSFFEMTYKW-MRXNPFEDSA-N 342.399 1.370 0 40 EDAB CCN(C(C)=O)[C@H]1CCOC2(CCN(C(=O)c3cnn(C)c3)CC2)C1 257260065 LBEOMCLIZTXOJO-INIZCTEOSA-N 348.447 1.442 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](CO)c2cccnc2)c1 585088155 MUYJGTPZZNCQAE-DYVFJYSZSA-N 328.368 1.901 0 40 EDAB COC(=O)[C@@H]1CN(Cc2c(F)cncc2Br)CCO1 585101689 XSSNJSQCHUAYCG-NSHDSACASA-N 333.157 1.357 0 40 EDAB CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](O)CC(C)(C)C1 585130894 FQNZHDZLRZGHDM-IRXDYDNUSA-N 348.443 1.449 0 40 EDAB CC(=O)N(C)CC(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 585112904 JBRKOHKHNYNVBZ-CHWSQXEVSA-N 339.436 1.417 0 40 EDAB Cc1ccc(CC(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)s1 257253284 JYHAJBZZQXLLHG-INIZCTEOSA-N 332.429 1.147 0 40 EDAB Cc1cccc(N2CCC[C@@H](N(C)CC(=O)N3CCOCC3)C2)n1 257232511 GLDQABNNJDRTIH-MRXNPFEDSA-N 332.448 1.149 0 40 EDAB COC(=O)c1ccsc1NC(=O)c1cc(N2CCOCC2)ncn1 252510172 ZCYOFJLZHYWVGL-UHFFFAOYSA-N 348.384 1.414 0 40 EDAB COc1cc(F)c(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)cc1OC 530143848 SGVBZKHDWUAABC-DTORHVGOSA-N 347.364 1.327 0 40 EDAB Cn1cc([C@H](NC(=O)c2cnn3c2[C@@H](CN)CCC3)C(C)(C)C)cn1 592541671 HHVPLBSSQBLLBQ-WBMJQRKESA-N 344.463 1.970 0 40 EDAB O=C(CCCn1nnc(-c2ccccc2)n1)N1CCCO[C@H](CF)C1 1615049290 MPRAFJMCAGIRKR-OAHLLOKOSA-N 347.394 1.707 0 40 EDAB O=C(NCc1nn[nH]n1)c1cn(-c2ccccc2)nc1-c1cccnc1 599335004 WKLLRFSFFNGQDU-UHFFFAOYSA-N 346.354 1.377 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCCn1ccnc1-c1ncccn1 96099060 VBHFVUBYDUWSCB-CQSZACIVSA-N 337.383 1.924 0 40 EDAB O=C(O)[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)CCO1 43700964 NJZLLVOBVJZKMO-LLVKDONJSA-N 334.155 1.684 0 40 EDAB O=C(NC[C@@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1)C1CC1 575402877 DMRMZPFOZGNVDU-ZDUSSCGKSA-N 344.411 1.540 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)CCn1nc(C)c(C)c1C 585279729 YEKHJVGWVWTLNC-QGZVFWFLSA-N 336.436 1.081 0 40 EDAB COCCN1CCc2oc(C(=O)N3CCC(F)(F)CC3)nc2C1 585112327 OQHDMOYLUIDDAP-UHFFFAOYSA-N 329.347 1.550 0 40 EDAB O=C(C1CC(O)C1)N1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@H]21 585108261 IYUPKOMLFXYBMP-VVLHZNOGSA-N 346.427 1.375 0 40 EDAB NC(=O)c1coc(CNC(=O)c2ccc3c(c2)CCCCC3=O)n1 585113359 SYDRHXUOVIVERN-UHFFFAOYSA-N 327.340 1.613 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)C(C)(C)n3cncn3)C2)c1 585276866 PFLHFWZOCRMCFD-GOSISDBHSA-N 344.415 1.364 0 40 EDAB CO[C@@H]1CN(C(=O)c2ccncn2)C[C@]12C[C@H](c1ccccc1)CO2 585288369 XTIVMZYXGMBSRK-KVSKMBFKSA-N 339.395 1.890 0 40 EDAB CC(=O)N1CCC[C@H](NC(=O)c2ccncn2)[C@@H]1Cc1ccccc1 585269266 NNPKOOLGFDRVHT-WMZOPIPTSA-N 338.411 1.829 0 40 EDAB Cc1ccc(CN2CCCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1 55207633 KNQRNQKMQXQZDE-UHFFFAOYSA-N 340.427 1.437 0 40 EDAB CC(C)(O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 60569613 WPDXBMDOHNSPHA-OAHLLOKOSA-N 328.315 1.826 0 40 EDAB COc1cccc(SCC(=O)N2CSC[C@@H]2C(=O)N(C)C)c1 69210702 UDZUZLPOQGDONA-CYBMUJFWSA-N 340.470 1.777 0 40 EDAB CCc1nnc2n1CCN(C(=O)Cc1cnn(-c3ccccc3)n1)C2 69629814 PULPPLJJWUOIGZ-UHFFFAOYSA-N 337.387 1.006 0 40 EDAB O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)c1ccc(-n2ccnc2)nc1 69737585 SKNTWMFPSAFSCJ-UHFFFAOYSA-N 348.322 1.863 0 40 EDAB COc1ccc2c(c1)CCC[C@H]2NC[C@H]1CCN(S(C)(=O)=O)C1 90796602 SEXJLBLQSVPQIU-CXAGYDPISA-N 338.473 1.944 0 40 EDAB Cc1ccc(NC(=O)N2CC(S(=O)(=O)c3nncn3C)C2)cc1C 585322055 PQKZQDGCHRWCJA-UHFFFAOYSA-N 349.416 1.122 0 40 EDAB O=C(COc1ccc(Oc2ccccn2)cc1)N1CC(OCCO)C1 1615547195 KDHAKZDHLLBCCU-UHFFFAOYSA-N 344.367 1.472 0 40 EDAB O=c1cc(Cn2nnc(-c3cccc(F)c3)n2)nc2sccn12 5088797 CWUCCYKUMOZEKO-UHFFFAOYSA-N 328.332 1.597 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 5633557 HYWVGGFGVQYCNT-UHFFFAOYSA-N 346.408 1.960 0 40 EDAB Cc1nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCOC3)nn2c(O)c1F 12337837 LPWLDGJNJPNMPF-YPMHNXCESA-N 348.378 1.973 0 40 EDAB O=C(C[C@@H]1SC[C@H](C(=O)O)NC1=O)Nc1cccc2ccccc12 13636951 CJRILOKSZVDZHH-KGLIPLIRSA-N 344.392 1.853 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CC)cc1 16610209 NJHSQMHAJWFFDW-LBPRGKRZSA-N 328.434 1.621 0 40 EDAB CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 16638824 ZDZAFJCLXOQLEO-UHFFFAOYSA-N 348.852 1.885 0 40 EDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 18023676 KZEXSODEJBCMJQ-GASCZTMLSA-N 346.427 1.773 0 40 EDAB Cc1nccn1CC1(O)CCN(C[C@H](O)c2ccc(F)cc2)CC1 19287935 CIKFPAWFCMJKNL-KRWDZBQOSA-N 333.407 1.891 0 40 EDAB O=C(Cc1ccccc1F)N1CCc2nc([C@H]3CCNC3)ncc2C1 19348181 ZTNKAZNAJOPQRB-AWEZNQCLSA-N 340.402 1.820 0 40 EDAB CN1CCCCC[C@@H]2N(S(=O)(=O)c3cn(C)cn3)CC[C@@]21C 19713372 JAWDRXXTVYDRIG-ZFWWWQNUSA-N 326.466 1.448 0 40 EDAB O=C(c1ccccn1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 153602607 IGFBGFHPEMBLCM-UHFFFAOYSA-N 343.334 1.914 0 40 EDAB O=C(CSC1CCCC1)N1CCC(N2C(=O)CNC2=O)CC1 253406608 UTMIUVHHRFCZEB-UHFFFAOYSA-N 325.434 1.205 0 40 EDAB COc1cccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1 9898374 QAKGZFYHAUGYOR-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)n1 1848352296 QVPMGFGMXJQLHH-HNNXBMFYSA-N 325.372 1.819 0 40 EDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCC3CC3)cc(C(C)C)nc21 29792072 DRRLOGZSNRDIAD-UHFFFAOYSA-N 330.388 1.368 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](Cn2nccn2)C(C)C)cc1F 238884845 PVNFSUCDOVZKTL-CYBMUJFWSA-N 342.396 1.429 0 40 EDAB Cc1nnsc1C(=O)NC[C@H](c1ccoc1)N1CCSCC1 253403590 QDYZAVLIKMEISN-GFCCVEGCSA-N 338.458 1.959 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)CC1=O 1565554050 QCWPMOMRAMXXPI-RDTXWAMCSA-N 347.415 1.279 0 40 EDAB Cn1cc(-c2ncnc3c2CN(C(=O)CCc2ccc[nH]2)CC3)cn1 1565556593 WNTFMYUDWXLGDB-UHFFFAOYSA-N 336.399 1.723 0 40 EDAB O=C(CCc1ccc[nH]1)N1C[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 2055751030 ZTLRNIREECPVNI-QZTJIDSGSA-N 340.427 1.454 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)N1CC(=O)Nc2ccccc21 21009820 DPIKRPPLCCHACG-UHFFFAOYSA-N 330.365 1.689 0 40 EDAB COc1ccccc1CNc1ccnc2c1c(=O)n(C)c(=O)n2C 22767805 XSLWNWNYPBYRNP-UHFFFAOYSA-N 326.356 1.253 0 40 EDAB CCOc1ccc(CC(=O)NCc2cn(-c3ccncc3)nn2)cc1 575615986 ILJBZROIDSWGTO-UHFFFAOYSA-N 337.383 1.920 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@](C)(O)Cc1ccco1 206617929 GHLQSULOECDXML-OAHLLOKOSA-N 327.377 1.999 0 40 EDAB O=C1NCCN1C(=O)NC[C@@](O)(c1ccsc1)c1cccs1 244950837 FNRWHDRYFCGILB-CQSZACIVSA-N 337.426 1.780 0 40 EDAB CCC(=O)N[C@@H]1C[C@@H](c2nc(C)nn2-c2cccnc2)CC[C@H]1O 2332241606 NFKXUBQXAXUECW-NWANDNLSSA-N 329.404 1.494 0 40 EDAB COc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1Cl 30323666 CWTYCIHEUHNIBO-UHFFFAOYSA-N 329.809 1.903 0 40 EDAB C[C@@H](Sc1n[nH]c(=O)n1C)C(=O)N[C@H]1CCCc2ccccc21 40161933 XRSQRQQSHGUUSI-MFKMUULPSA-N 332.429 1.783 0 40 EDAB NNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20129847 HIJJZBFDBYDVOU-UHFFFAOYSA-N 342.428 1.850 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1OC[C@@H]1CCCO1 40476113 HXSCGBCZGLWTJG-OLZOCXBDSA-N 339.413 1.161 0 40 EDAB Cc1nc2ccc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc2nc1C 40464654 GKVJSNBPQZWZJF-MRXNPFEDSA-N 333.413 1.554 0 40 EDAB CCNC(=O)c1sc(N2CCC(C(=O)OCC)CC2)nc1N 40478778 WBMRUECXNLNGMB-UHFFFAOYSA-N 326.422 1.255 0 40 EDAB O=C(CN(Cc1ccco1)C1CC1)N1CCN(c2ncccn2)CC1 40497724 CLDGUSHYMHIMPA-UHFFFAOYSA-N 341.415 1.383 0 40 EDAB Cc1cc(C)cc(-n2nnn([C@H]3CC(=O)[C@@H]4OC[C@H]3O4)c2=S)c1 117234 HWOVWQFHZUFIRG-IACUBPJLSA-N 332.385 1.671 0 40 EDAB CCS(=O)(=O)c1ccc(NCC(=O)N2CCO[C@@H](C)C2)cc1 40511204 ZDXLNGIOMLLLNZ-LBPRGKRZSA-N 326.418 1.139 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCc2cccs2)o1 40512015 WYNIPLZTHGZWDC-UHFFFAOYSA-N 328.415 1.564 0 40 EDAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccnc1-n1cccn1)CS2 40509346 VLBOPCCKWWRBHX-WBMJQRKESA-N 343.412 1.660 0 40 EDAB O=C(C1CCN(C[C@H](O)Cn2cccn2)CC1)N1CCCCCC1 51499757 QOSKNHPXBOILHM-KRWDZBQOSA-N 334.464 1.359 0 40 EDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl 20719593 IJEAAXLVYZETOZ-HNNXBMFYSA-N 348.790 1.893 0 40 EDAB COc1cccc([C@@H]2CC(O)=c3cc4c(cc3=N2)OCO4)c1OC 101413305 SDZYASRRUFAODU-LBPRGKRZSA-N 327.336 1.863 0 40 EDAB CN1CCO[C@H](C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 76060805 CFNFOAQJBKNNFG-INIZCTEOSA-N 331.416 1.194 0 40 EDAB CS(=O)(=O)c1ccccc1N1CCN(Cc2cscn2)CC1 77932986 NFWUCDNJOVNOFX-UHFFFAOYSA-N 337.470 1.869 0 40 EDAB CC(=O)c1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)cc1 78648512 LUJHYXFFMVEYDB-INIZCTEOSA-N 333.432 1.920 0 40 EDAB CC(C)c1ccc(CCNC(=O)NC[C@@H]2CN(C)CCN2C)cc1 78924489 NNSIMPLHPSHACB-GOSISDBHSA-N 332.492 1.898 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(CCOc3ccc(F)cc3)C2)n[nH]1 78900682 MDDYJJZNEFRFDK-LBPRGKRZSA-N 332.379 1.906 0 40 EDAB Cc1ccnc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)n1 499558 WXIKWBYFUZINEH-UHFFFAOYSA-N 346.368 1.239 0 40 EDAB CCc1ccccc1NC(=O)Cn1nnc(C(=O)OC)c1C(=O)OC 428822 BYJNPBAUJZPXCM-UHFFFAOYSA-N 346.343 1.052 0 40 EDAB N[C@@H](CC(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1 6579468 OMLSHEQOQUQDSW-SFHVURJKSA-N 339.439 1.422 0 40 EDAB CCn1cnnc1CNC(=O)N1CCN(Cc2cccs2)CC1 46965633 LFKXVZCDSCVOBJ-UHFFFAOYSA-N 334.449 1.387 0 40 EDAB C[C@H](C(=O)NCc1ccccc1F)N1CCC(N2CCNC2=O)CC1 53284140 PKOXSGLJKOVOTH-CYBMUJFWSA-N 348.422 1.320 0 40 EDAB COC(=O)Cn1cnc2c(oc3nc(C)c4c(c32)CCCC4)c1=O 12324255 CVBHLMAFXAXDDJ-UHFFFAOYSA-N 327.340 1.898 0 40 EDAB O=C1CN(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CCN1 69656777 ZHIRUBLXKVLYEG-UHFFFAOYSA-N 330.388 1.323 0 40 EDAB CN(Cc1ccccc1)C(=O)CCNC(=O)NCCn1ccnc1 69616094 DXNGDOXZPFSBFO-UHFFFAOYSA-N 329.404 1.231 0 40 EDAB Cc1nnc(SCC(=O)N(C)C[C@H]2COc3ccccc3O2)o1 9477376 PDRZVDGYXBGPRX-NSHDSACASA-N 335.385 1.769 0 40 EDAB CCN(CC)CCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 57280412 XEKATXMOHXKKDM-UHFFFAOYSA-N 339.461 1.536 0 40 EDAB CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3OC[C@H]2[C@H]1[C@H]3O 104966326 FLDAHLDTMBMPJD-FIPDJIKCSA-N 342.395 1.461 0 40 EDAB biogenic Cc1cccc(C)c1OCCn1cnc2c1c(=O)n(C)c(=O)n2C 12530660 AHSYJXBRCPFTAS-UHFFFAOYSA-N 328.372 1.130 0 40 EDAB O=C(CN1CCN(c2nccs2)CC1)N1CCc2ccccc2C1 54620412 XIRWMYBTIYLXSY-UHFFFAOYSA-N 342.468 1.850 0 40 EDAB O=S(=O)(NC1CC2(CCN(Cc3cccnc3)CC2)C1)C1CC1 108525966 GRKYJGYBUUQYDA-UHFFFAOYSA-N 335.473 1.908 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1OC 72277707 JLECMURVRSCHBT-CYBMUJFWSA-N 340.445 1.481 0 40 EDAB NC(=O)c1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1 12626207 RQVVNKHKHUWISC-UHFFFAOYSA-N 334.379 1.960 0 40 EDAB O=S1(=O)CC[C@H](N(Cc2ccnc(Cl)c2)C[C@@H]2CCCO2)C1 106796253 DDVLJMRMHIGJDQ-KBPBESRZSA-N 344.864 1.903 0 40 EDAB COc1cc(CS(=O)(=O)CC(=O)N(C)C)ccc1OC(F)F 58934815 JKEFFKAUYCRJKF-UHFFFAOYSA-N 337.344 1.300 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCc2c(Cl)cccc21 55713611 AOOMBSOKVKESMY-CQSZACIVSA-N 342.848 1.174 0 40 EDAB CCCCn1nnnc1CN1C(=O)C(=O)N(Cc2cccs2)C1=O 48264141 RVGYKVQYJATDOA-UHFFFAOYSA-N 348.388 1.026 0 40 EDAB Cn1ncc2c(N3CCC[C@@H]3C(=O)NCC(F)(F)F)ncnc21 25570761 GGDPFHLVPLJSHX-SECBINFHSA-N 328.298 1.011 0 40 EDAB COC(=O)C[C@@H](NC(=O)CCSc1nnnn1C)c1ccccc1 56264435 NBNHDQVRNHKBRC-GFCCVEGCSA-N 349.416 1.113 0 40 EDAB COc1ccc(C(=O)NCCNC(=O)c2ccc(OC)cc2)cc1 1794693 ZHKVXXFLBDLGAL-UHFFFAOYSA-N 328.368 1.864 0 40 EDAB O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)c1ccccc1F 108388749 CHEMSYKWPGRJQA-DGCLKSJQSA-N 327.377 1.584 0 40 EDAB Cc1cc(NCc2nnc3n2CCC3)n2nc(C(F)(F)F)nc2n1 26700338 WGZVJRSRFFKREP-UHFFFAOYSA-N 338.297 1.601 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CCCN(c2cccnn2)CC1 69949375 RZEPPGVUZALNQL-UHFFFAOYSA-N 349.398 1.410 0 40 EDAB Cc1noc([C@H](C)OC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)n1 102759566 WYLBSJRKGYPEBC-ZETCQYMHSA-N 346.368 1.832 0 40 EDAB CCn1c(CN2CCO[C@@H](Cn3cncn3)C2)nc2c(F)cccc21 69975859 JMTJBYPQPKAYTB-CYBMUJFWSA-N 344.394 1.688 0 40 EDAB NS(=O)(=O)CCCNC(=O)c1ccc(OC2CCCC2)cc1 58014173 PRGQAJPOZIVMDT-UHFFFAOYSA-N 326.418 1.416 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)C[C@@H]3C=CCC3)CC2)no1 36022752 UQLHHWIHNWCSDJ-CQSZACIVSA-N 332.404 1.422 0 40 EDAB Cn1cc(-c2nc(C(=O)NCC(C)(C)N3CCOCC3)cs2)cn1 44820519 MQLRBJQWSQKGRL-UHFFFAOYSA-N 349.460 1.384 0 40 EDAB CN(C)C(=O)CN1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 24627478 XMQGTSTVPMWELF-UHFFFAOYSA-N 346.406 1.687 0 40 EDAB COCCN1CCCN(C(=O)[C@H](c2ccccc2)n2cccn2)CC1 58246454 OUUDEDZFOJYESU-SFHVURJKSA-N 342.443 1.653 0 40 EDAB Cc1cc(CN(C)C(=O)NCc2ccnc(N3CCOCC3)c2)no1 44968563 BPFQNXSDGUXLMN-UHFFFAOYSA-N 345.403 1.556 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 44969742 MTISPONLMDBQGU-KGLIPLIRSA-N 329.408 1.030 0 40 EDAB C[C@@H](CN1CCOCC1)Nc1ccc2nnc(C(F)(F)F)n2n1 48344306 NFVSEBULROSSGD-VIFPVBQESA-N 330.314 1.276 0 40 EDAB CCCNC(=O)[C@H]1CCCN(C(=O)Cc2cn3ccsc3n2)C1 58344605 BAGMTKHPOXEPLX-LBPRGKRZSA-N 334.445 1.703 0 40 EDAB O=C(NCc1ccc(-n2cccn2)nc1)c1cccc2c1OCCO2 58325499 WZIMFVUBCHPJPU-UHFFFAOYSA-N 336.351 1.969 0 40 EDAB Cc1cc(CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)on1 58331189 ROUBECTVAISPOF-UHFFFAOYSA-N 335.385 1.736 0 40 EDAB CCCn1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)ccc1=O 48382659 QPOPYNIJMNFVDW-UHFFFAOYSA-N 336.369 1.757 0 40 EDAB C[C@H](C(=O)NC[C@@H](c1cccs1)N1CCOCC1)n1cccn1 45053854 IKUMOZBDUIDDHH-KGLIPLIRSA-N 334.445 1.695 0 40 EDAB COCCN1C[C@H](C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1=O 45308809 RUUUINUYOZIREX-HUUCEWRRSA-N 349.431 1.028 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)N1CCC(N)CC1 36753781 CMXBJJKWNATRQP-UHFFFAOYSA-N 333.251 1.869 0 40 EDAB Cc1cnn(C[C@H](C)NCC(=O)NCCOc2ccc(F)cc2)c1 69709167 KFQFCZIJURMMJY-AWEZNQCLSA-N 334.395 1.504 0 40 EDAB Cc1ccnn1-c1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1 69740094 GGGSHIQNMFQSLU-GOSISDBHSA-N 340.427 1.774 0 40 EDAB NC(=O)Cn1c(SCCOc2ccc(F)cc2)nnc1C1CC1 46029117 TVULAVKJPWEGNL-UHFFFAOYSA-N 336.392 1.951 0 40 EDAB CCN(CC(=O)NCC(F)(F)F)C[C@@H]1COc2ccccc2O1 12909970 MALDHCBUYLVVLB-LLVKDONJSA-N 332.322 1.827 0 40 EDAB CCOc1ccc(C(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1 69737090 XOGHNPVHCODEAR-KRWDZBQOSA-N 346.427 1.939 0 40 EDAB CC(C)(C)C1CCC(O)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 69738675 XBTZPZXWBYXAMO-VEAWUBTESA-N 331.478 1.505 0 40 EDAB CC(=O)c1cc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)n(C)c1 112060841 MMDJNVSDFOZURU-HNNXBMFYSA-N 330.388 1.274 0 40 EDAB CSCC[C@@H]1NC(=O)N(CCn2cc(Br)cn2)C1=O 69737679 SZXFZECJAYTDHE-VIFPVBQESA-N 347.238 1.319 0 40 EDAB O=C(Cn1nc(N2CCOCC2)ccc1=O)NCCC1=CCCCC1 49550503 CKRXGQMZGAZAHK-UHFFFAOYSA-N 346.431 1.087 0 40 EDAB O=S1(=O)C[C@@H](NCc2ccccc2)[C@@H](NCc2ccccc2)C1 39280001 VBWQFJPGNFMRGR-HDICACEKSA-N 330.453 1.732 0 40 EDAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H]1Cn1cncn1 69872143 JDTKQJGCMZXLGQ-GOEBONIOSA-N 325.416 1.720 0 40 EDAB COC(=O)c1cc(OC)ccc1NC(=O)c1cn2cccnc2n1 69812807 QXNHSIOHSRJIKI-UHFFFAOYSA-N 326.312 1.777 0 40 EDAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2ccc3nsnc3c2)n1 13692139 QCJVFAZSMXFJJL-UHFFFAOYSA-N 344.400 1.260 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NC(=O)NCc1cccs1 8777707 GDOGJEKVHJQHDI-UHFFFAOYSA-N 342.380 1.484 0 40 EDAB CC(C)CNC(=O)NC(=O)CSc1nnc(C(F)(F)F)n1C 6364490 YKOUURXBJGHQBT-UHFFFAOYSA-N 339.343 1.408 0 40 EDAB COC[C@H](O)CN(C)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 65435098 SYYTUNYFBYWJNT-CZUORRHYSA-N 332.404 1.582 0 40 EDAB CCc1nsc(Sc2nnc(N3CCOCC3)n2CC)n1 92585088 VXMFTGUSASOAAO-UHFFFAOYSA-N 326.451 1.700 0 40 EDAB CCC[C@@H](C)NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O 14020851 VZBHABAXIOYBBO-LLVKDONJSA-N 333.388 1.719 0 40 EDAB CC1CCC(NS(=O)(=O)CC(=O)N(C)Cc2ccco2)CC1 65595280 HLQZKQTWYCLMES-UHFFFAOYSA-N 328.434 1.736 0 40 EDAB C[C@H](OC(=O)c1ccc(Cn2cncn2)cc1)C(=O)NC(C)(C)C 14148597 JCAWTXUCTVGQIK-LBPRGKRZSA-N 330.388 1.786 0 40 EDAB CC(C)N(C)CCCNC(=O)CCCn1nnc(-c2ccccc2)n1 65609050 NSFLNAFYOXQKSG-UHFFFAOYSA-N 344.463 1.967 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1 65610574 WXNDNYZPOARYRD-CQSZACIVSA-N 349.479 1.848 0 40 EDAB Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 4505306 QQAOFWKITVYVBT-AWEZNQCLSA-N 345.486 1.829 0 40 EDAB CCOc1ccccc1Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 6581543 ICLXXEAENWTYEU-UHFFFAOYSA-N 348.790 1.534 0 40 EDAB COC(=O)c1cccc(NC(=O)Cn2nnc3ccccc3c2=O)c1 9337671 QWEVAGBUMHDQAI-UHFFFAOYSA-N 338.323 1.217 0 40 EDAB COc1ccccc1N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5694351 XEVJEMSDWGTGBO-NSHDSACASA-N 349.412 1.782 0 40 EDAB COc1ccccc1C(=O)NC(=O)COC(=O)c1cccc(O)c1 5755372 ZGNLCNIJWWZREN-UHFFFAOYSA-N 329.308 1.514 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1cnccn1 66808371 UYNUGQFMSSAXDF-ZDUSSCGKSA-N 347.396 1.682 0 40 EDAB COC(=O)Nc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCOCC2)cc1 66823752 JDUCTZIGGHGXCD-LLVKDONJSA-N 349.387 1.735 0 40 EDAB Cn1nc(C(F)(F)F)cc1C(=O)N1N=CC[C@@]1(O)C(F)(F)F 6925463 VGYUHEKMPLRNLR-MRVPVSSYSA-N 330.188 1.522 0 40 EDAB CC(C)C(=O)NCCNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 67130804 RBHQYFDZUWROBV-ZDUSSCGKSA-N 341.452 1.664 0 40 EDAB Cc1cc(C)c(CNC(=O)CCn2c(=O)oc3ccccc32)c(=O)[nH]1 7118606 MNFBAYZNFVUNHG-UHFFFAOYSA-N 341.367 1.606 0 40 EDAB O=C(CN1CCc2ccccc21)NN1C(=O)NC2(CCCCC2)C1=O 7359780 WAVKIPOKCSEJQG-UHFFFAOYSA-N 342.399 1.335 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 69283709 JKIPGNDBJJUYOD-GXTWGEPZSA-N 343.435 1.548 0 40 EDAB CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)[C@H](O)C1CCOCC1 70039649 YFLCWSATOFOLQM-NWANDNLSSA-N 327.421 1.497 0 40 EDAB Cc1ccccc1CC(C)(C)NC(=O)CN1CCS(=O)(=O)CC1 69382742 YYRAYOIWNFTHCZ-UHFFFAOYSA-N 338.473 1.163 0 40 EDAB Cc1ccc(F)c(-n2nnnc2Cn2cnc3ccccc3c2=O)c1 69373486 ULTKSRSOVYBMDR-UHFFFAOYSA-N 336.330 1.868 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3nccn3C)[C@H](C)C2)no1 69489353 LCQRTMOJEPBADZ-TZMCWYRMSA-N 346.435 1.250 0 40 EDAB O=C(Nc1nc2ccc(Cl)cn2n1)N[C@@H]1CCc2ncnn2C1 97104108 CWMIJOFGQSPHTM-SECBINFHSA-N 332.755 1.111 0 40 EDAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCNC(=O)CC1 71839509 NHEGKOAPTVYZJC-UHFFFAOYSA-N 344.390 1.519 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N1CCCC[C@@H]1Cn1cccn1 71865281 LPWPTHRXRNYXMV-CQSZACIVSA-N 339.461 1.622 0 40 EDAB CCN1CCN(CCNC(=O)Cc2ccc(-n3cccc3)cc2)CC1 71853849 ZCXBQIODJZGQPL-UHFFFAOYSA-N 340.471 1.774 0 40 EDAB CNC(=O)c1cccc(NC(=O)[C@H]2CSCN2C(=O)C2CCC2)c1 71882614 MERHZKVBZYNBCA-CQSZACIVSA-N 347.440 1.686 0 40 EDAB COc1cc(CNCc2cnc(N3CCOCC3)nc2)ccc1C 71837014 JHXBGRNPLNEZEZ-UHFFFAOYSA-N 328.416 1.920 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(CC)s2)CC1 71881957 XVXVNNDLPRLXIM-ZDUSSCGKSA-N 326.462 1.466 0 40 EDAB C[C@@H](C(=O)NCC(=O)Nc1cccnc1)N1CCc2ccccc2C1 71893695 XWNRQCQNTYUNJB-AWEZNQCLSA-N 338.411 1.583 0 40 EDAB COC(=O)c1cccn2cc(COC(=O)[C@@H](NC(C)=O)C(C)C)nc12 71880009 QKXWRWIHDYMFDF-AWEZNQCLSA-N 347.371 1.325 0 40 EDAB C[C@H](NC(N)=O)C(=O)N[C@H](COc1ccccc1)c1ccccc1 71886485 UABPHQGKMUJUSP-XJKSGUPXSA-N 327.384 1.980 0 40 EDAB CN(C[C@H]1CN(CCC(=O)N2CCCCC2)CCO1)c1cccnn1 83859252 KLFOYEPUQKRZMW-INIZCTEOSA-N 347.463 1.016 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)[C@@H](C)N1CCc2ccccc2C1 71914269 HKLFWDYYCHBFPV-CYBMUJFWSA-N 347.415 1.212 0 40 EDAB CCS(=O)(=O)CCn1ccc(NC(=O)[C@@H](C)OCCC(C)C)n1 71915529 OXFOORBCJYSXQQ-CYBMUJFWSA-N 345.465 1.708 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N3CCCN(C)CC3)cnc12 96990759 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CCCS(=O)(=O)NC1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 95987176 ZSKNPZROEYAQKP-IAGOWNOFSA-N 338.473 1.439 0 40 EDAB C[C@H](NC(=O)N[C@@H](Cn1cncn1)c1ccccc1)c1cnn(C)c1 95962790 YCHQREMBCHDZNG-BBRMVZONSA-N 339.403 1.813 0 40 EDAB COc1ncnc(N)c1CN[C@@H]1CCN(c2ncccc2Cl)C1 89420676 YYHBCHMKZKQKEW-SNVBAGLBSA-N 334.811 1.484 0 40 EDAB O=C(NC1CC1)c1nnc2n1CC[C@H]1CN(Cc3cccs3)C[C@H]21 306133884 MYNXUSTZKHWTMX-FZMZJTMJSA-N 343.456 1.851 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)c2nc3nccc(C)n3n2)C12CCCC2 89986136 BOFFISDDPHWFRB-CHWSQXEVSA-N 329.404 1.900 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCc2nc(C3CC3)no2)CC1 89920404 PKNODSYEDDTTSP-YPMHNXCESA-N 332.404 1.206 0 40 EDAB Cc1ccc(-n2[nH]c(C(=O)N3CC[C@@H](c4cnccn4)C3)cc2=O)cc1 1558526237 YGWDTDCQEYPRDC-CQSZACIVSA-N 349.394 1.894 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2ccc3c4c(cccc24)CC3)CC1 25518082 KKVYBEVOENUWLZ-UHFFFAOYSA-N 337.423 1.618 0 40 EDAB CCCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245313 SHYTYHJNBZPNBZ-UHFFFAOYSA-N 345.440 1.745 0 40 EDAB O=C(O)[C@@H](NS(=O)(=O)c1csc2ccccc12)[C@@H]1CCOC1 556774038 XNAKWHWAUQAZNK-RNCFNFMXSA-N 341.410 1.669 0 40 EDAB CCCc1cc(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)cn1 38509582 NEAIWJOWVCFEFS-UHFFFAOYSA-N 329.356 1.241 0 40 EDAB CC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CCO1 30857558 NQVQOPCHXLEVEJ-CQSZACIVSA-N 340.445 1.253 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2cscn2)n1 72379666 VYFRRFOWRQDTNQ-CQSZACIVSA-N 331.401 1.547 0 40 EDAB Cc1noc(CN2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)n1 329133386 PNQCVOKUGCIIAH-UHFFFAOYSA-N 340.431 1.856 0 40 EDAB COCCC(=O)N1CCC(c2nccnc2Nc2ncccn2)CC1 72363610 SCAKNUAVSJINKW-UHFFFAOYSA-N 342.403 1.753 0 40 EDAB Cc1sc(NC(=O)CN2CCS(=O)(=O)C[C@@H]2C)c(C)c1C 75765461 WQXXSKITCGGNJE-VIFPVBQESA-N 330.475 1.731 0 40 EDAB C[C@H]1CCCCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 36392474 YEWCFQQMBIPYBS-LBPRGKRZSA-N 327.384 1.659 0 40 EDAB Cc1cc(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)c(C)o1 238949391 WSVBRDSMOHHJEC-OKILXGFUSA-N 328.368 1.672 0 40 EDAB CC(C)CN1CC[C@H](CNC(=O)c2cc(N3CCOCC3)ccn2)C1 131761526 VXUDSRNZAIOKDF-MRXNPFEDSA-N 346.475 1.626 0 40 EDAB O=C(NCc1ccc(Cl)cc1)N1CC(N2C(=O)CSC2=O)C1 225695593 UNTOTDOZPNNMTM-UHFFFAOYSA-N 339.804 1.929 0 40 EDAB O=C(CCOC1CCOCC1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 84559430 COSXFBHPPHZKTI-JZXOWHBKSA-N 336.476 1.905 0 40 EDAB CCOC(=O)c1cc(-n2cnnc2)ccc1N1CCN(CC)CC1 226277725 DGPKKHWHCOWJQZ-UHFFFAOYSA-N 329.404 1.586 0 40 EDAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2nc3ccccc3s2)C1 85397255 JHVNINGFPKKLCZ-VIFPVBQESA-N 326.399 1.782 0 40 EDAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)Cc1ccsc1)C2 96071519 AMACYVAIAFDPKP-HNNXBMFYSA-N 342.486 1.707 0 40 EDAB O=C1COC2(CCN(C(=O)c3ccsc3)CC2)CN1CC1CC1 96062163 IYPDVIXSCCYECM-UHFFFAOYSA-N 334.441 1.992 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)o1 96185623 XZKAETOIOGRDQD-ILXRZTDVSA-N 329.404 1.415 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccccn2)Cc2ncn(C)c21 96044873 QRTXJFYMILUCLG-CQSZACIVSA-N 343.431 1.019 0 40 EDAB O=C(c1cnccn1)N1CCC[C@]2(CCN(C(=O)c3ccco3)C2)C1 96047081 JTAFJCMJMRISMF-SFHVURJKSA-N 340.383 1.838 0 40 EDAB O=C(NC[C@@H]1CCCO1)C1=NO[C@@]2(CCN(c3ccccc3)C2)C1 96074514 KQUPCLQCVABEMP-YJBOKZPZSA-N 329.400 1.707 0 40 EDAB COc1ncccc1C(=O)N1CC[C@H](OC)[C@H]2CN(CC3CC3)C[C@H]21 96208758 BTHIIIATXWQLRT-BBWFWOEESA-N 345.443 1.662 0 40 EDAB O=C1CO[C@]2(COCCN(Cc3cccnc3)C2)CN1c1ccoc1 96240184 NZPCMZUYCXCOIL-SFHVURJKSA-N 343.383 1.309 0 40 EDAB Cn1c(C(F)(F)F)nn(CCNC(=O)Cc2cccs2)c1=O 90590861 XZPALOPGURAVLZ-UHFFFAOYSA-N 334.323 1.021 0 40 EDAB COCC(=O)N1CCC[C@]2(C[C@@H](OCc3cccc(C)n3)CO2)C1 96206795 VJQRNMXOWQNJPZ-AEFFLSMTSA-N 334.416 1.703 0 40 EDAB COCCn1cc2c(n1)[C@H](CNC(=O)c1cccc(C)n1)OCC2 96059711 BOAOKJJNTCALTJ-HNNXBMFYSA-N 330.388 1.277 0 40 EDAB C[C@@H](CNC(=O)C(C)(C)N(C)C1CCCC1)N1CCOC[C@H]1C 96488964 NYEIRDXYJUNHIT-LSDHHAIUSA-N 325.497 1.865 0 40 EDAB O=C(NC1CC1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 96224423 WFKLXFHGOOJMBX-GOSISDBHSA-N 328.416 1.768 0 40 EDAB Cc1oncc1C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 96201822 DQOSYSVYAXNHDY-MAUKXSAKSA-N 325.368 1.729 0 40 EDAB CNC(=O)CN1CCC(NC(=O)[C@H](C)c2cc3ccccc3o2)CC1 96451176 AKPYWOAKGNTQBR-CYBMUJFWSA-N 343.427 1.863 0 40 EDAB Cn1cc(CN2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)cn1 96245318 OTIVIEXHLBRGBF-RDJZCZTQSA-N 328.391 1.650 0 40 EDAB Cc1ncsc1CN1CCOC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257329318 XJJNHWBHWWZJRJ-SNVBAGLBSA-N 342.446 1.152 0 40 EDAB CC(C)Cc1cc(C(=O)N2CCO[C@H](c3nccnc3N)C2)n(C)n1 257294671 QVGFQSRRRRJOPZ-AWEZNQCLSA-N 344.419 1.205 0 40 EDAB O=C(Cc1ccsc1)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 257294754 QVPFZCXJJXTJOF-QZTJIDSGSA-N 342.464 1.921 0 40 EDAB Cc1cnc([C@H]2CN(S(=O)(=O)c3ccccc3C)CCO2)cn1 257254202 KCEIGDKPLQERLE-OAHLLOKOSA-N 333.413 1.856 0 40 EDAB CCc1nccn1-c1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cn1 257222847 DUWSFYSDOJITMP-ZDUSSCGKSA-N 348.428 1.089 0 40 EDAB O=C(O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H]1COCCO1 585134259 KDLXBIZJXVILBT-HZPDHXFCSA-N 329.352 1.367 0 40 EDAB COCc1ccccc1S(=O)(=O)N1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C 585129679 RRBPBIHMGMGKDA-JHJVBQTASA-N 340.445 1.461 0 40 EDAB Cn1cncc1CC(=O)N1CCC[C@@H](O)[C@H]1CCc1ccccc1 585125819 GRAVACNCCIETQH-QZTJIDSGSA-N 327.428 1.947 0 40 EDAB Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)c1 585129669 QYIRVMLIACKLFJ-KBRIMQKVSA-N 328.416 1.952 0 40 EDAB CN(CC(=O)N1CCC[C@@H](c2ccnc(O)n2)C1)Cc1cccnc1 257271791 MZUNGKXNPRJBOA-OAHLLOKOSA-N 341.415 1.415 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2cccn2C)C1 257316495 VFWJWNORKYPASS-LJQANCHMSA-N 345.418 1.873 0 40 EDAB O=C(CC1CC1)N1C[C@@H](O)[C@H](N2CCN(c3ccccc3)CC2)C1 257335938 YMMJTUJUDCJQRU-QZTJIDSGSA-N 329.444 1.180 0 40 EDAB Cc1cnc(C2(C)CCN(S(=O)(=O)c3cn[nH]c3)CC2)s1 257302626 SDPUNRZGUAWDHN-UHFFFAOYSA-N 326.447 1.917 0 40 EDAB O=C1S/C(=C\N2CCN(CCO)CC2)C(=O)N1c1ccccc1 618255341 YACQIOIKBIDPHQ-OWBHPGMISA-N 333.413 1.338 0 40 EDAB OCc1cn(C2CN(c3ncnc4sc5c(c34)CCC5)C2)nn1 1615614177 DQMHDDDZAKOKQT-UHFFFAOYSA-N 328.401 1.325 0 40 EDAB NC(=O)c1ccccc1NS(=O)(=O)Cc1noc2ccccc12 96124199 UWFVEKSCPXFLGS-UHFFFAOYSA-N 331.353 1.869 0 40 EDAB CCOCC(=O)N1CCc2ncc(-c3ccnc(OC)c3)n2CC1 585105146 ZLGPPJYZCUIJIE-UHFFFAOYSA-N 330.388 1.375 0 40 EDAB O=C(N1CCCCC1)N1CCN(Cc2nnsc2Cl)CC1 44895655 CBBVNWVFRURHPJ-UHFFFAOYSA-N 329.857 1.915 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCCN3CCC[C@@H](C)C3)CC2)no1 46379055 MNSHEYCCGKCODJ-OAHLLOKOSA-N 349.479 1.542 0 40 EDAB C[C@@H]1C[C@H](N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)C(=O)O1 52110229 XQVBASXNRPKYRA-YGRLFVJLSA-N 340.782 1.941 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1)N1CCN(c2nccs2)CC1 57503600 XVAYMRCURVFZSR-AWEZNQCLSA-N 330.457 1.970 0 40 EDAB O=C(NCc1cn[nH]n1)Nc1cccc(Cl)c1N1CCOCC1 72311282 JFSUKKDMCBNGDJ-UHFFFAOYSA-N 336.783 1.616 0 40 EDAB Cc1ccccc1OC[C@]1(O)COCCN(C(=O)c2csnn2)C1 1615142852 CADYFOUUCGVABS-MRXNPFEDSA-N 349.412 1.129 0 40 EDAB O=C(C1CC1)N1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615153750 DWZQQTBGPUXUFZ-SFHVURJKSA-N 332.375 1.960 0 40 EDAB C[C@H]1OC2(CCN(C(=O)NCc3ccccc3Cl)CC2)NC1=O 1615591795 SRWMMHORNSDDHB-LLVKDONJSA-N 337.807 1.877 0 40 EDAB COC[C@]1(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N(C)C)C[C@@H]1C 1615550982 QRZGTPGTFSBYAH-APHBMKBZSA-N 344.452 1.773 0 40 EDAB COCCC(=O)N1CCN(Cc2ccc(Br)o2)CC1 225396256 DVDKXFBMKRLTPD-UHFFFAOYSA-N 331.210 1.723 0 40 EDAB COc1cc(OC(=O)/C=C2\CCC(=O)O2)c2c(c1)O[C@H]1OC(=O)C[C@H]21 5028996 NKWCOGPKSZIFFC-XLEMQNRJSA-N 346.291 1.571 0 40 EDAB CCCNC(=O)Cn1c(=O)n(Cc2cccs2)c2ncccc21 12117557 XVHATBOPQIDHBH-UHFFFAOYSA-N 330.413 1.834 0 40 EDAB c1ccc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)nc1 13267867 BWTRFFKCJPHNPX-MAUKXSAKSA-N 337.427 1.970 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@@H](c1ccccc1C)NC(=O)N2 17306880 ZRKNIUFLFKVGEA-MRXNPFEDSA-N 329.400 1.872 0 40 EDAB Cc1ccnc2nc(C(=O)OCc3nc(N)c4ccccc4n3)nn12 18268146 JWGVEQUUWHMVFO-UHFFFAOYSA-N 335.327 1.315 0 40 EDAB CNc1cc(CCNC(=O)[C@@H]2CCCO2)nc(-c2ccncc2)n1 19592300 BCKHDASOSJQUGZ-AWEZNQCLSA-N 327.388 1.418 0 40 EDAB CCN(c1ccc(OCC(=O)NC2CCCC2)cc1)S(C)(=O)=O 19937750 NFYQQLCVVFZBQE-UHFFFAOYSA-N 340.445 1.910 0 40 EDAB COc1ccc(CCC(=O)N2CC[C@@H](n3ccnn3)C2)c(OC)c1 206928484 YGVQHSVFCWWKHJ-CQSZACIVSA-N 330.388 1.702 0 40 EDAB Cc1ccc(S(=O)(=O)N2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 514269699 KJCKSELTFQRCSN-ZIAGYGMSSA-N 338.429 1.987 0 40 EDAB CCS(=O)(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 253473461 VEFCGMDTJWWLJY-UHFFFAOYSA-N 338.355 1.404 0 40 EDAB CC[C@H](C(=O)N1CCC(N2C(=O)COCC2=O)CC1)c1ccccc1 575607831 KIHYWQSDGHCERD-INIZCTEOSA-N 344.411 1.557 0 40 EDAB CN([C@H]1CCCN(c2ncnc3[nH]ccc23)C1)S(=O)(=O)C1CC1 1888853824 BNFRFESSRUQFJI-NSHDSACASA-N 335.433 1.351 0 40 EDAB Cc1nc(N2CCN(c3nnc(C)s3)CC2)cc(-n2cccn2)n1 1888930457 ZTNRXCWQJUWTRF-UHFFFAOYSA-N 342.432 1.457 0 40 EDAB O=c1ccc(-c2ccccc2)nn1C1CN(S(=O)(=O)C2CC2)C1 1776001760 JZNLWELSASZLQU-UHFFFAOYSA-N 331.397 1.259 0 40 EDAB Cn1cc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cn1 38731229 PFNAZMIBACYGAM-UHFFFAOYSA-N 348.834 1.910 0 40 EDAB O=C(NCc1cccs1)N1Cc2cnc(N3CCOCC3)nc2C1 238878994 OTUIEYSMOFNBCA-UHFFFAOYSA-N 345.428 1.600 0 40 EDAB Cc1nn(CC(=O)NC(C)(C)C)c(=O)c2c1cnn2-c1ccccc1 13970577 YXBMJTYDUNSMJN-UHFFFAOYSA-N 339.399 1.805 0 40 EDAB CCCN(CC)C(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713397 JHAYTEJYBWNLBX-CQSZACIVSA-N 348.447 1.176 0 40 EDAB CS(=O)(=O)c1ccc(Cc2nnc(NC(=O)c3ccco3)o2)cc1 36659298 HPYMJLQUZPKNIJ-UHFFFAOYSA-N 347.352 1.909 0 40 EDAB COC(=O)CSc1ncnc2c1nnn2-c1ccc(OC)cc1 4166784 JPUVSOJQLKGRBP-UHFFFAOYSA-N 331.357 1.484 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 10418074 NWISSZYQSKWRDD-UHFFFAOYSA-N 340.445 1.628 0 40 EDAB CCn1c(=O)n(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c2ccccc21 40145756 UQVJLCQVFYXXCJ-DLBZAZTESA-N 343.427 1.993 0 40 EDAB Cc1ccc(C)c(OCCC(=O)OCCN2C(=O)NC(C)(C)C2=O)c1 30733401 XIALAQTVVWLEHR-UHFFFAOYSA-N 348.399 1.946 0 40 EDAB COCc1nnc(NC(=O)c2ccc(C)c(-n3cnnn3)c2)s1 40287407 QWSUYYNDCWYWIR-UHFFFAOYSA-N 331.361 1.221 0 40 EDAB COc1ccc(C(=O)NCCNS(C)(=O)=O)cc1-c1ccccc1 50558352 BUABTHOFUNEXHK-UHFFFAOYSA-N 348.424 1.641 0 40 EDAB O=C(CS(=O)(=O)C[C@H]1CCCO1)NCCc1ccc(F)cc1 40498853 QBRXQVXEMQRTSR-CQSZACIVSA-N 329.393 1.078 0 40 EDAB O=C1CCCN1c1nc(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)cs1 40553904 JMNZMKXEZPOBIA-KBPBESRZSA-N 349.456 1.982 0 40 EDAB C[C@@H]1C(=O)N(CC(=O)Nc2cccc(N3CCCC3=O)c2)C(=O)[C@H]1C 101444776 QCDVOEFWSDKOPX-RYUDHWBXSA-N 343.383 1.393 0 40 EDAB O=C(NCCCN1CCCC1=O)c1ccc(C(F)(F)F)nc1O 32645162 CDKCEFIJMRTDML-UHFFFAOYSA-N 331.294 1.548 0 40 EDAB CO[C@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1ccccc1 69421270 HDWOIKCDMCHUDK-SFHVURJKSA-N 342.443 1.842 0 40 EDAB O=C1CN(C(=O)N[C@H]2CCc3c(Br)cccc32)CCN1 76086516 KZLDDWLIBPAIHR-LBPRGKRZSA-N 338.205 1.578 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CCn3cc(Br)cn3)CCO2)n1 76048683 VKNPYMAFRRGQSO-NSHDSACASA-N 341.213 1.146 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(CC(=O)NC3CCC(C)CC3)CCO2)n1 76049231 FPSXIZOFXLYHNO-NRXISQOPSA-N 349.479 1.825 0 40 EDAB Cc1nnc2n1CCN(C(=O)CN1C(=O)CSc3ccccc31)C2 69484933 YONJEBQDZDEDTH-UHFFFAOYSA-N 343.412 1.068 0 40 EDAB C[C@@H](NC(N)=O)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 78917082 JRCOABZCWKLMGS-MNOVXSKESA-N 340.374 1.102 0 40 EDAB C[C@H]1CN=C(N2CCN(CC(=O)N[C@H](C)c3ccco3)CC2)S1 79497531 YIEJRIRURIZMMG-QWHCGFSZSA-N 336.461 1.566 0 40 EDAB C[C@H]1CN(CC(=O)NCC2(c3ccccc3)CCOCC2)[C@H](C)CO1 52566399 SBDKRCDISDRMHT-SJORKVTESA-N 346.471 1.960 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2S(C)(=O)=O)C1 32901687 DPOGCKIBMCOCQD-GFCCVEGCSA-N 339.413 1.505 0 40 EDAB Cc1cc(C(=O)NCC2(C(N)=O)CCOCC2)c2ccccc2n1 52743254 AOBRBOQMYURQKI-UHFFFAOYSA-N 327.384 1.555 0 40 EDAB CCOc1cccc(/C=N/NC(=O)c2ccco2)c1OCC(=O)O 6965005 VNAFJEPJVCGOII-RQZCQDPDSA-N 332.312 1.906 0 40 EDAB O=C(CNCCn1cccn1)NCC1(c2ccccc2)CCOCC1 72267756 OBLAQFXQQQKXIK-UHFFFAOYSA-N 342.443 1.337 0 40 EDAB CC(C)S(=O)(=O)[C@@H](C)C(=O)NCCN1CCc2sccc2C1 53270209 VYWFSHKREULTGN-LBPRGKRZSA-N 344.502 1.434 0 40 EDAB COc1ccc(CCNC(=O)Cn2nnc(-c3ccccc3)n2)cc1 8427925 RWAZJTOEWJYNCW-UHFFFAOYSA-N 337.383 1.708 0 40 EDAB CCCn1nc(S(=O)(=O)N2CCCCC2)c(C(=O)OCC)c1C 57478190 KFMNZSOGLGXLLB-UHFFFAOYSA-N 343.449 1.953 0 40 EDAB COc1cc(F)c(NC(=O)C(=O)NCc2cc(C)on2)cc1OC 72271384 ZWVYDHMDWSYIJS-UHFFFAOYSA-N 337.307 1.394 0 40 EDAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1CC(=O)N(Cc2ccccn2)C1 42348024 TYQLWANJIACESB-LBPRGKRZSA-N 335.367 1.367 0 40 EDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cnccn2)C1=O 23946597 OYTXNXKFLPTQEU-QGZVFWFLSA-N 339.355 1.065 0 40 EDAB Cn1nc(C(=O)Nc2ccc(F)cc2)cc1OCC(=O)N1CCCC1 57355300 NEERKGXDEAFMOM-UHFFFAOYSA-N 346.362 1.813 0 40 EDAB COCCNC(=O)c1cn(-c2ccc(Br)cc2)nn1 24958613 XYEDWOAAIQQTDL-UHFFFAOYSA-N 325.166 1.406 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)N1CCCN(Cc2nccn2C)CC1 69901828 HZMUPMMVCFNQGU-MRXNPFEDSA-N 342.443 1.922 0 40 EDAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCNC(=O)[C@H]2C)C1 106910039 ZPNFBLQOGKIMBQ-FMKPAKJESA-N 330.432 1.352 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3c(C)nn(C)c3Cl)CCO2)n1 72267559 RNUVXNVJRJMJIF-ZDUSSCGKSA-N 338.843 1.491 0 40 EDAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1CN1CCN(Cc2ccccc2)CC1 22812833 QYRSJEJRHHANEV-QZTJIDSGSA-N 341.455 1.937 0 40 EDAB Cc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCN2CCCC2)C3)cc1 57531456 IYWIDFXEYSPBRC-QGZVFWFLSA-N 340.427 1.541 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)Cc2c[nH]c3ccccc23)cc1 10028011 JVWWUKXNOXMTQC-UHFFFAOYSA-N 343.408 1.674 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)CCn1cnc2c(cnn2C)c1=O 44894164 HRTLZOVYTRXMEA-GFCCVEGCSA-N 337.383 1.498 0 40 EDAB O=C(NCCN1CCCc2ccccc21)c1cccnc1-n1cncn1 58224982 QTWKTETWBRMXRB-UHFFFAOYSA-N 348.410 1.845 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N(CC)[C@H](C)COC)cc1 58210605 APSUCXIHGXVMKJ-GFCCVEGCSA-N 329.418 1.909 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NC[C@H]1CCCO1 44966255 MCCGQDLUJJYCJS-WCQYABFASA-N 341.433 1.215 0 40 EDAB Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 3330490 KQRLLKVNSUEABN-UHFFFAOYSA-N 326.403 1.349 0 40 EDAB CCNC(=O)CN1CCN(C(=O)C(C)(C)c2ccccc2C)CC1 58793471 ZHGHFEAIMPGFRO-UHFFFAOYSA-N 331.460 1.553 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCCC2)c1C 3590653 QOERHOXHJZAKHW-UHFFFAOYSA-N 336.388 1.978 0 40 EDAB Nc1nc(N)nc(CSCCC(=O)Nc2ccc3c(c2)CCC3)n1 12900442 JBINCEKBVKKWMU-UHFFFAOYSA-N 344.444 1.787 0 40 EDAB CCc1nc(CCNC(=O)c2cccc(-n3cnnn3)c2)sc1C 69563187 FXZZDNOBGFDFJB-UHFFFAOYSA-N 342.428 1.962 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)OC 12919459 UKPAUQIRBWKHHG-GXFFZTMASA-N 327.402 1.408 0 40 EDAB Cc1cnn(C[C@@H](C)N[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 69564480 CWXAZXOGHUPVOC-KGLIPLIRSA-N 341.415 1.543 0 40 EDAB Cc1cc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)n(C)n1 69536714 XDXHWZYJGICEMN-UHFFFAOYSA-N 328.372 1.824 0 40 EDAB COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NCC(C)C 63396641 VCBMQXGQBMMBDS-UHFFFAOYSA-N 335.404 1.945 0 40 EDAB C[C@H]1Oc2c(cccc2C(=O)N2CCC[C@H]2Cn2cccn2)NC1=O 69744649 AOCPPJVGLMAXJT-OLZOCXBDSA-N 340.383 1.907 0 40 EDAB CN1C(=O)/C(=C2/C[C@@H](c3ccc(Cl)cc3)NN2)C(=O)NC1=S 13551131 KNMSBXKWCHUDLA-BLUPIXKYSA-N 336.804 1.006 0 40 EDAB CCOCCN1CCN([C@@H](C)C(=O)NCc2cccs2)CC1 69738349 JKGWQAPEULVRJK-AWEZNQCLSA-N 325.478 1.407 0 40 EDAB O=C(CN[C@@H]1CCCN(c2cccnn2)C1)NCCc1ccsc1 69738550 FRMWMTUZSXQAFT-OAHLLOKOSA-N 345.472 1.455 0 40 EDAB CCn1cnnc1CNC(=O)C1=NN(c2ccccc2)C(=O)CC1 65440178 KYEAMBCETKSJDS-UHFFFAOYSA-N 326.360 1.097 0 40 EDAB O=C(CN(C1CC1)S(=O)(=O)c1ccc(F)c(F)c1)NC1CC1 65553820 BHUYKIJAUPBFEM-UHFFFAOYSA-N 330.356 1.397 0 40 EDAB CS(=O)(=O)CCNC(=O)c1cc2ccccc2nc1N1CCCC1 65609370 NCTAXIJVJNUGDT-UHFFFAOYSA-N 347.440 1.609 0 40 EDAB O=c1cccnn1CCCNS(=O)(=O)c1ccc(Cl)s1 23137486 BMGKJQJZQGTOKJ-UHFFFAOYSA-N 333.822 1.327 0 40 EDAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(N)=O 5570139 MGNQTUSYHPMNFE-JTQLQIEISA-N 344.367 1.646 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(c2cncc(Br)c2)C1 92701009 FDFZXIXYHQZBJI-NSHDSACASA-N 334.239 1.362 0 40 EDAB CC(C)COC1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 119608894 LQUOQOOTLNZWGX-ZIAGYGMSSA-N 334.482 1.477 0 40 EDAB CNC[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)C1 71144542 DUIHYBMJHCSXEU-LLVKDONJSA-N 347.278 1.988 0 40 EDAB Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 9114616 FECNKJBYOJJKFY-CQSZACIVSA-N 337.445 1.014 0 40 EDAB COc1ccc(CNC(=O)[C@@H]2CN(C)CCO2)c(OC2CCCC2)c1 81457841 PGEYXVHIQBPOSK-SFHVURJKSA-N 348.443 1.963 0 40 EDAB CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccccc2C)CC1 70007253 HRAFCQDPFRNHPM-HNNXBMFYSA-N 346.475 1.323 0 40 EDAB NS(=O)(=O)c1ccc(OCC(=O)N2CCc3ccccc32)cc1 69391512 MOQVBLDYTWTRQE-UHFFFAOYSA-N 332.381 1.302 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)NCCc1cc(F)cc(F)c1 69325829 QBUONNMGDZBPFF-GFCCVEGCSA-N 331.388 1.414 0 40 EDAB CN(Cc1ccccc1)C[C@H](O)CN1CCO[C@H](Cn2cccn2)C1 69375986 SXEBFMPVWZSEIN-OALUTQOASA-N 344.459 1.077 0 40 EDAB Cc1ccc(S(=O)(=O)NC(=O)[C@@H](C)OC[C@H]2CCCCO2)s1 69343328 UBFQOWDICQYKFR-VXGBXAGGSA-N 347.458 1.836 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)NCC1(c2cccc(F)c2)CC1 96417820 VJCBYZYQICMESP-GFCCVEGCSA-N 342.436 1.932 0 40 EDAB CCN(CC)c1ccc(Nc2ncnc3c2cnn3CCO)cn1 97199785 FJNKWACRDRXWMN-UHFFFAOYSA-N 327.392 1.803 0 40 EDAB COc1ccc(-c2nnc(CNCC3CCN(CCO)CC3)o2)cc1 71870946 ILPBXRZUVRRDPZ-UHFFFAOYSA-N 346.431 1.539 0 40 EDAB O=C(CN1CCCC1)N1CCN(c2ccc(OC(F)F)cn2)CC1 94155317 UKYMUOZGBKOOBB-UHFFFAOYSA-N 340.374 1.427 0 40 EDAB CN(C[C@@H]1CN(Cc2nnsc2Cl)CCO1)c1cccnn1 83859282 XOOIAPBBVSSHRK-SNVBAGLBSA-N 340.840 1.319 0 40 EDAB CCN(CC)C(=O)CCCNC(=O)c1c(C)nc(C(C)C)[nH]c1=O 72310128 JQRYANHXYRHNEH-UHFFFAOYSA-N 336.436 1.580 0 40 EDAB CC[C@H](C)[C@@](C)(O)CNC(=O)CCN1C(=O)c2ccc(C)cc2C1=O 71916772 WJERDDGUMJYFFN-DJJJIMSYSA-N 346.427 1.894 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1)N1CCC(O[C@H]2CCOC2)CC1 84001212 PBFKIADEHNXVPD-YJBOKZPZSA-N 332.444 1.961 0 40 EDAB CN1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cccc(C(N)=O)c2)C1 97049195 WRWHRCWFKGENEJ-HZPDHXFCSA-N 330.432 1.411 0 40 EDAB Cc1noc(-c2cccnc2N2CCN(Cc3n[nH]c(C)n3)CC2)n1 97086067 ZBGXFGGUBHMHEI-UHFFFAOYSA-N 340.391 1.189 0 40 EDAB CC[C@H]1CN(C(=O)c2cnc3[nH]nc(C)c3c2)C[C@H]1N1CCOCC1 84736057 IOULTAKVOKMLHZ-XJKSGUPXSA-N 343.431 1.449 0 40 EDAB Cc1cnc(CN(C)[C@@H]2CCN(CC(=O)N[C@@H](C)c3ccco3)C2)o1 95402352 ZABUAZKRHSZTOW-LSDHHAIUSA-N 346.431 1.960 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H]1CCC[C@]1(C)CO 95442310 LHLJNHDPIPABPO-UKRRQHHQSA-N 329.466 1.374 0 40 EDAB C[C@H]1OCC[C@H]1NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 95449683 RGVQJZFEVPDUFX-BXUZGUMPSA-N 333.363 1.598 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H](S(N)(=O)=O)C3)cc2c1C 73842514 GRUAHIVUMJHQTK-ZDUSSCGKSA-N 335.429 1.678 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(Cc2ccc([S@](C)=O)cc2)CC1 95982379 PMWJHZIMGGRJQR-JBEBIEQOSA-N 349.500 1.209 0 40 EDAB O[C@H](COC1CCOCC1)CN1CCO[C@H](c2ccc(F)cc2)C1 95964856 DDEKMNIUQCPFSH-WMZOPIPTSA-N 339.407 1.756 0 40 EDAB Cc1cc(NC(=O)CN2CCc3cnc(C(C)C)nc3C2)n(C)n1 75133558 HBIZJOGJNRWARM-UHFFFAOYSA-N 328.420 1.639 0 40 EDAB NC(=O)c1ccc(NC(=O)NCCn2cnnc2C2CC2)cc1Cl 75109753 FNGLCZIRLQIXES-UHFFFAOYSA-N 348.794 1.730 0 40 EDAB C[C@@]1(NC(=O)Nc2nncc(-c3ccccc3)n2)CCS(=O)(=O)C1 75109197 LCSSNWUKFPOOQD-OAHLLOKOSA-N 347.400 1.237 0 40 EDAB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75124274 YAGQDPJTUGDDSX-PSASIEDQSA-N 334.294 1.916 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(OC(C)C)nc2)C1 89890862 REURZTKFBLOQIF-HNNXBMFYSA-N 334.420 1.679 0 40 EDAB CC(C)NC(=O)CS(=O)(=O)Cc1nccn1Cc1ccccc1 75572452 PVVNNFOFZYZFDN-UHFFFAOYSA-N 335.429 1.371 0 40 EDAB CNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 408586144 AJTSCEFVANWYKE-LBPRGKRZSA-N 340.445 1.811 0 40 EDAB COCCNc1ncc2c(n1)[C@@H]1CN(c3ncc(C)cn3)C[C@H]1C2 306128007 GNPSFTVVCAKTTH-ZIAGYGMSSA-N 326.404 1.409 0 40 EDAB Cc1nccn1C[C@@H](C)CNC(=O)N1CCC[C@@H](Cn2ccnn2)C1 124505134 ISDWNXWURUSGMF-GOEBONIOSA-N 345.451 1.541 0 40 EDAB CCCCNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 521402328 RCBFHZHMCTYREC-UHFFFAOYSA-N 346.474 1.423 0 40 EDAB O=C(CNC(=O)c1ccc2c(c1)CCC2)NCc1nncn1C1CC1 73111509 GHMWNNGQQMZHCG-UHFFFAOYSA-N 339.399 1.148 0 40 EDAB Cc1noc2ncc(C(=O)N[C@@]3(CO)COc4ccccc4C3)cc12 529823486 SBTPEQFPJBFIAY-SFHVURJKSA-N 339.351 1.627 0 40 EDAB COc1cc(OC)c(NC(=O)C[C@H]2SC(N)=NC2=O)cc1Cl 6403416 DNQDWVQMICPNEE-SNVBAGLBSA-N 343.792 1.643 0 40 EDAB Cc1c(CCC(=O)N[C@H](C)C(=O)O)c(=O)oc2c(C)c(O)ccc12 11865400 WHXLFNDHQHGOGO-SNVBAGLBSA-N 333.340 1.637 0 40 EDAB biogenic O=C1CCCCC(=O)OCCOC(=O)CCCCC(=O)OCCO1 33802904 BWQWGOIPLWGYOW-UHFFFAOYSA-N 344.360 1.294 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Nc2cccc(SC)c2)CC1 78549975 GJFMQKGFXSGZDV-UHFFFAOYSA-N 343.474 1.908 0 40 EDAB Cc1csc(CNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)n1 32970500 OXACDUOGZRWOMY-NSHDSACASA-N 343.412 1.406 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N1CCOCC1 217430752 KBGIWYYKQVCCMY-LLVKDONJSA-N 342.417 1.298 0 40 EDAB COCC(=O)N[C@H](C(=O)N(C)[C@@H]1CCc2ccccc2C1)C(C)C 78114853 HDGCSCFWWDOWSC-AEFFLSMTSA-N 332.444 1.790 0 40 EDAB CO[C@@H](CS(=O)(=O)Nc1cnn(C)c1C(=O)O)c1ccccc1 560250017 RWQMMOFESKMETP-LBPRGKRZSA-N 339.373 1.248 0 40 EDAB CN(C)CCNC(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1 71288132 GNNGTPPZMZVYAT-KGLIPLIRSA-N 347.415 1.273 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN(C)[C@@H](C)c2nnc(C)o2)cc1 72828902 JAJCASHQOOWVOF-LBPRGKRZSA-N 338.433 1.658 0 40 EDAB Cc1cccc(C(=O)N[C@@H](C)C(=O)NCc2nncn2C2CC2)c1 79306107 VBDWPFDCYSIEQK-LBPRGKRZSA-N 327.388 1.356 0 40 EDAB Cn1c(=O)n2n(c1=O)[C@]1(C)C=C[C@H]2[C@]23C=C[C@@]21c1ccccc1CC3 45071335 UHZSZOQQHVASQC-LDTOTXGLSA-N 333.391 1.629 0 40 EDAB CN1CCN(c2ccc(NC(=O)C(F)(F)F)cc2C(N)=O)CC1 226279489 HQOUIZHPQAKSDM-UHFFFAOYSA-N 330.310 1.038 0 40 EDAB COC(=O)CSc1nnc(NC(=O)COc2ccccc2)s1 222820343 CMLDADKGBKUEIN-UHFFFAOYSA-N 339.398 1.821 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 75163086 YWAOHCNQQNJDGS-LBPRGKRZSA-N 339.355 1.372 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](Cn1nccc1Br)C(=O)O 228972616 HMCNTRYMKTVNKJ-ZETCQYMHSA-N 334.170 1.624 0 40 EDAB COc1ccc(OC)c(CN2CCC(C(=O)NC[C@H](C)O)CC2)c1 199402315 SQXOZHCILSOJJP-ZDUSSCGKSA-N 336.432 1.413 0 40 EDAB COC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ncn(C)c21 96044773 XESAVCSGIQGVDY-GFCCVEGCSA-N 329.356 1.535 0 40 EDAB CN1CC[C@]2(CN(C(=O)C3CCOCC3)C[C@H]2c2ccccc2)C1=O 96201869 RXSFYCBGCUZUBS-FXAWDEMLSA-N 342.439 1.888 0 40 EDAB O=C(c1cccnc1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072478 DOLQESMNHLQZQM-AEFFLSMTSA-N 325.368 1.929 0 40 EDAB Cc1oncc1C(=O)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96202258 SNTJWZKUNCEZSQ-GOSISDBHSA-N 342.399 1.747 0 40 EDAB Cn1cc(CN2CCC[C@@]3(COCCN(c4cnccn4)C3)C2)cn1 96049629 WWNBEIUSOANPSK-GOSISDBHSA-N 342.447 1.329 0 40 EDAB CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)c3ccsc3)C2)C1 96107896 ZKCDITQFKNMYLJ-TZMCWYRMSA-N 344.458 1.061 0 40 EDAB C[C@H](CNC(=O)c1cnn[nH]1)Oc1ccccc1Br 96451761 WRYDPXBXFOISET-MRVPVSSYSA-N 325.166 1.765 0 40 EDAB CN(C)c1ncc2c(n1)[C@@]1(CCN(C(=O)c3cccnc3)C1)COC2 96080330 DVQNVGASPRNADF-GOSISDBHSA-N 339.399 1.252 0 40 EDAB O=C(c1ccc[nH]1)N1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 96249750 WYVUBWCLPCAMLG-UKRRQHHQSA-N 327.388 1.172 0 40 EDAB CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 96076370 FFMIJGCAFIQBMP-IBGZPJMESA-N 346.475 1.198 0 40 EDAB CCCCNC(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C 96238070 AODFTAFWUZKACK-GOSISDBHSA-N 345.447 1.314 0 40 EDAB C[C@H]1Cc2ccccc2[C@@H]1NCCNS(=O)(=O)Cc1ccon1 95423620 OFHVRCLNGQVSFD-BLLLJJGKSA-N 335.429 1.617 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CC[C@@H](C2)[C@H]4O)N3)c(O)n1 257315985 VDQDJNZTXHHZGA-VQYVRKMMSA-N 331.416 1.059 0 40 EDAB CCc1cc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)on1 257211426 BYUPCDWTWXOGMZ-QGZVFWFLSA-N 348.378 1.532 0 40 EDAB COc1ncc(CN2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cn1 257258263 KTAQDHZHNVBDAS-WMZOPIPTSA-N 329.400 1.890 0 40 EDAB CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)c1cccn1C 257300924 RWGDCKGCNAJDJH-GOSISDBHSA-N 328.416 1.524 0 40 EDAB CNC(=O)c1cc(C[C@H]2CCCN(c3ncccn3)C2)nc(C)n1 257311704 UKRNHJDRHXTFFU-CYBMUJFWSA-N 326.404 1.394 0 40 EDAB CN(CCCO)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F 585115715 PTZKJQCOXKZCLZ-UHFFFAOYSA-N 332.731 1.757 0 40 EDAB COC(=O)[C@@H](CNC(=O)c1cccnc1)Cc1ccc2c(c1)OCO2 585146013 LOXBSDLFRXZKDA-CQSZACIVSA-N 342.351 1.572 0 40 EDAB COCc1cccc(S(=O)(=O)Nc2cc(CO)cc(CO)c2)c1 585118934 JAMZEZPFZXVDGS-UHFFFAOYSA-N 337.397 1.618 0 40 EDAB COCc1c(C(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)noc1C 257272611 NDBSJBGXMRMFNO-LLVKDONJSA-N 332.360 1.645 0 40 EDAB Cn1cc(C(=O)N2CCC3(CCO[C@@H]3Cc3cncnc3)CC2)cn1 257246759 IVSJGQCZTHHCDJ-MRXNPFEDSA-N 341.415 1.464 0 40 EDAB CN(C)Cc1nccnc1C1CCN(C(=O)Cc2cccnc2)CC1 257286007 PJTUTDFZEVRMOO-UHFFFAOYSA-N 339.443 1.882 0 40 EDAB CCn1cc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cn1 43645847 GYXPPAGNXYSGEH-KRWDZBQOSA-N 343.431 1.926 0 40 EDAB CN(C)C(=O)CNC(=O)CCCOc1ccc(-c2cnn(C)c2)cc1 257173023 AIWCDWCPAYIUDH-UHFFFAOYSA-N 344.415 1.451 0 40 EDAB O=C(N[C@H](C(=O)O)[C@H]1CCCOC1)c1cc(O)nc2cc(F)ccc12 262814308 PMNAIUMGTXDGCY-VFZGTOFNSA-N 348.330 1.689 0 40 EDAB CCCCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)C 1615046146 YKZOIAAODAHLTH-UHFFFAOYSA-N 334.463 1.552 0 40 EDAB COC(=O)c1ccc2c(S(=O)(=O)N3CCC[C@H]4C[C@H]43)ncn2c1 1615001846 ALOYBGFOXQAPLC-GXFFZTMASA-N 335.385 1.294 0 40 EDAB CCN(CC)[C@@H](CNc1ccc2nnnn2n1)Cc1ccccc1 43766063 DKLWYWKBYJPQRG-OAHLLOKOSA-N 325.420 1.884 0 40 EDAB C[C@H]1CCC[C@@]1(NS(=O)(=O)c1ccc(C(=O)O)c(F)c1)C(=O)O 1615588023 NJVRFDJBHBPWFO-RTHLEPHNSA-N 345.348 1.446 0 40 EDAB COc1ccc2ccc(C(=O)N3CCN(CCO)C(=O)C3)cc2c1 1615538173 HIBHSFLPJVHGBO-UHFFFAOYSA-N 328.368 1.125 0 40 EDAB C[C@@H](NCc1coc(S(N)(=O)=O)c1)[C@H](c1ccccc1)N(C)C 1615623141 XTYCEUHPWQQFDV-MLGOLLRUSA-N 337.445 1.708 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)c1 96098231 HBSDTVPHPCNWDK-UHFFFAOYSA-N 345.442 1.087 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)NCCn1nc(C2CC2)ccc1=O 575619135 HLRRNFSVYPDDHM-UHFFFAOYSA-N 341.367 1.208 0 40 EDAB Cc1cncc(C(=O)N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)c1 575403853 JZGMXWYNKCYDNV-HNNXBMFYSA-N 340.383 1.633 0 40 EDAB C[C@]1(NC(=S)NCc2nc3ccccc3[nH]2)CCS(=O)(=O)C1 575420961 GVQVTLICEOSUIZ-AWEZNQCLSA-N 338.458 1.104 0 40 EDAB O=S1(=O)C[C@H]2NC(=S)N(c3nc4ccccc4s3)[C@@H]2C1 575423403 FCPZETTYFPRZDY-RKDXNWHRSA-N 325.440 1.156 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)CC3CCOCC3)CCO2)c1 585279457 ZJWKSDZYRCNADS-FQEVSTJZSA-N 347.455 1.944 0 40 EDAB CNC(=O)C[C@H]1CN(S(=O)(=O)c2ccccc2C)Cc2ccnn21 585111889 IKIZDCCPZJIQOB-AWEZNQCLSA-N 348.428 1.073 0 40 EDAB CN(C)C[C@@H]1CCn2nccc2CN1C(=O)c1ccc2c(c1)OCO2 585098576 ZLACSNDHFLFTCO-AWEZNQCLSA-N 342.399 1.588 0 40 EDAB NC(=O)[C@H](NS(=O)(=O)c1c(F)cccc1F)c1ccccc1 54797985 UTOMRQHCZOZCCG-GFCCVEGCSA-N 326.324 1.470 0 40 EDAB CCOC(=O)N1CCN(Cc2noc(Cc3ccccc3)n2)CC1 69220218 KPSPQGRXFCOBDY-UHFFFAOYSA-N 330.388 1.935 0 40 EDAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(NC=O)cc2)C1 95961729 CMLSXEDIYNVLJP-AWEZNQCLSA-N 331.416 1.879 0 40 EDAB Cc1cc(Br)ccc1C(=O)N[C@H]1CCC(=O)NC1=O 89753943 BJBWXFAYVXVQDZ-JTQLQIEISA-N 325.162 1.293 0 40 EDAB COCC(=O)N1CCN(C(=O)c2ccc(Cc3ccccc3)[nH]2)CC1 1548449115 VJGDPFMMXWJEJV-UHFFFAOYSA-N 341.411 1.536 0 40 EDAB COc1ccc(C(=O)[C@H](NCCCO)c2oc(C)cc(=O)c2O)cc1 1547139212 LZUQUSCQYZYBJR-HNNXBMFYSA-N 347.367 1.558 0 40 EDAB biogenic C[C@@H]1[C@H]2OC(=O)[C@H]3C(=O)[C@](C)(O)O[C@@H]2[C@@H]2CCCC[C@H]2[C@@]1(C)C3=O 1772591637 IYGKPDPKMWLVNZ-YCMCSUIOSA-N 336.384 1.236 0 40 EDAB CCOC(=O)c1sc(Nc2nc(OC)nc(N(C)C)n2)nc1C 5051199 AWVZUCYSTHSOOG-UHFFFAOYSA-N 338.393 1.631 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)Cn1nc(-c2cccnc2)oc1=O 12115871 VWHSKGRDHNQDTI-LBPRGKRZSA-N 336.351 1.876 0 40 EDAB O=S(=O)(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1ccccc1Cl 252484843 GJIBLGAVMYAMCS-WXHSDQCUSA-N 331.821 1.955 0 40 EDAB O=C(c1ccccn1)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C1 1888850353 FQQFLVADVREFOC-GJZGRUSLSA-N 335.411 1.957 0 40 EDAB Cc1cc2c(N3CCC(NS(=O)(=O)C4CC4)CC3)nccn2n1 1889118459 ZOXQABGASPJDES-UHFFFAOYSA-N 335.433 1.088 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 19898618 WASXVRSKFWQIIC-MJVIPROJSA-N 346.305 1.779 0 40 EDAB O=C(CN1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CCCC1 1148392068 JCNAIXATDZWHMA-UHFFFAOYSA-N 343.353 1.240 0 40 EDAB CC[C@H](C)NC(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 29631924 XUHDMHPALWYWNJ-AWEZNQCLSA-N 333.480 1.945 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1776001884 PVJPYNYONZRPJA-KRWDZBQOSA-N 341.411 1.814 0 40 EDAB Cc1nc(C)c(C(=O)N2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)s1 2056224214 LTMRFTYWDSQKOW-STQMWFEESA-N 345.428 1.280 0 40 EDAB CCc1cnc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)nc1 2086923652 DPCPZPSNWMZRBT-CYBMUJFWSA-N 340.374 1.502 0 40 EDAB Fc1cnc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)nc1 2086968355 XEKWICVYTWFSCS-UHFFFAOYSA-N 337.362 1.794 0 40 EDAB O=C(c1cc[nH]n1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 1565553545 CPRUGMJJFKSVJZ-UHFFFAOYSA-N 346.456 1.978 0 40 EDAB CC(C)N(C)CC(=O)N1CCC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565551771 KKALWADTLITCNX-QAPCUYQASA-N 347.463 1.379 0 40 EDAB CCN1C(=O)C2(CCN(C(=O)c3ncn(C)n3)CC2)c2ccccc21 1565546091 VLSHOIYCCZVYPZ-UHFFFAOYSA-N 339.399 1.356 0 40 EDAB COC(=O)C1=C(C)NC(=O)[C@]1(NC(=O)c1cccs1)C(F)(F)F 4690001 DYUUUYUEAHRUIL-LBPRGKRZSA-N 348.302 1.356 0 40 EDAB CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)c1cc[nH]c1)CC2 2055772325 WZYCOGWLPMCJNO-SFHVURJKSA-N 332.448 1.564 0 40 EDAB O=C(NCc1ccco1)C(=O)NC[C@@H](c1cccs1)n1cccn1 575614451 TXBAJZQBCLPCSV-ZDUSSCGKSA-N 344.396 1.560 0 40 EDAB Cn1cc(C(=O)NC[C@](O)(c2ccsc2)c2cccs2)nn1 239808106 KHQCOLFDVOFDQQ-AWEZNQCLSA-N 334.426 1.604 0 40 EDAB Cc1cc(C)n(CCCNS(=O)(=O)N(C)Cc2ccccc2)n1 40061708 LQKYTUGAZKHVJL-UHFFFAOYSA-N 336.461 1.856 0 40 EDAB CN(C(=O)CCc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 40473644 KPCLHCOFWLRKBC-INIZCTEOSA-N 347.440 1.450 0 40 EDAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1nncn1C 40497617 ZFYPDXNRFVLWOI-SECBINFHSA-N 339.193 1.661 0 40 EDAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(=O)N(Cc2ccccn2)C1 31605052 XUNNREZTCCFSNU-NSHDSACASA-N 343.412 1.798 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCN(Cc3ccncc3)CC2)n1 40514021 VPROERDXUPHFHU-UHFFFAOYSA-N 343.431 1.865 0 40 EDAB CCN1CCN(CCCCNS(=O)(=O)c2cccc(F)c2)CC1 40527723 QNFJWNLLGPSPDT-UHFFFAOYSA-N 343.468 1.522 0 40 EDAB O=C(NCCCN1CCCC1=O)c1cccnc1N1CCCCC1 40553269 NJMNBVAFJPPRKN-UHFFFAOYSA-N 330.432 1.814 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCCn3cccn3)CC2=O)c(F)c1 40508936 PBMWPLCRGDMHOR-AWEZNQCLSA-N 344.390 1.890 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1F 102263163 HDUSHDGZBKGXLL-OKILXGFUSA-N 332.375 1.926 0 40 EDAB FC(F)(F)c1cc([C@H]2CCCN(CCN3CCOCC3)C2)n[nH]1 76059630 OWNVOLFKWCXBJI-LBPRGKRZSA-N 332.370 1.940 0 40 EDAB CCOc1cc(C(=O)N2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)ccn1 78889605 NSBGWJLLDGUQHK-ZDUSSCGKSA-N 345.403 1.936 0 40 EDAB NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1n[nH]c(=O)c2ccccc12 79099411 JNIZDYGMEHGHCF-CHWSQXEVSA-N 328.372 1.087 0 40 EDAB CCOC(=O)[C@@H](C)N(C)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 79095002 DNLDIQWMDVDVOD-LLVKDONJSA-N 347.346 1.395 0 40 EDAB C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCOCC(N)=O 79110237 OPEDWBYNOGRZFB-MRVPVSSYSA-N 335.187 1.379 0 40 EDAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(F)c2)c1 2809559 JVJGDQUWIYUOTE-GEEKYZPCSA-N 341.342 1.737 0 40 EDAB COC(=O)CN(C(C)C)S(=O)(=O)c1cccc(C(=O)OC)c1 32927464 YHFUSANZRJLZKK-UHFFFAOYSA-N 329.374 1.045 0 40 EDAB C[C@@H]([C@@H](C)CO)N1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2C 4826889 NROOBIQMBJYJAU-MKBNYLNASA-N 329.400 1.496 0 40 EDAB Cc1c(NC(=O)C[C@@H]2C[C@H](C)OC2=O)c(=O)n(-c2ccccc2)n1C 538464 IGDNFLNDOAIBOD-AAEUAGOBSA-N 343.383 1.765 0 40 EDAB CC(=O)c1cccc(OC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 7990017 GKLVAMQDPDMZMV-UHFFFAOYSA-N 346.364 1.292 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccc(OC(F)F)cc1 102183665 NYHRDAWQJHASMR-BJDJZHNGSA-N 325.267 1.881 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 106517520 UGRVEFIJDGFYGV-SOUVJXGZSA-N 328.478 1.601 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)Nc2cccnc2-n2cccn2)cc1 72275934 HTFQXONELOEYDY-UHFFFAOYSA-N 343.368 1.167 0 40 EDAB COc1cccc(CO[C@H](C)C(=O)NCC(=O)N2CCCCC2)c1 46823088 UEEFXQJTNHZPHK-CQSZACIVSA-N 334.416 1.729 0 40 EDAB Cc1cc(C)n(CCCNc2cc(N3CCC[C@@H]3CO)ncn2)n1 72275991 FTQJKFLKFHJEMP-OAHLLOKOSA-N 330.436 1.753 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCc2cc(Br)cs2)C1 46941309 UVAJAXIZFDDTBP-SSDOTTSWSA-N 332.223 1.527 0 40 EDAB Cc1ccc(OC[C@H](O)Cn2cnc3cnccc3c2=O)c(C)c1 96004376 KURBUUATPRNEII-CQSZACIVSA-N 325.368 1.848 0 40 EDAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(N2CCNC2=O)CC1 54318607 MKTDXNHVKBHCDV-UHFFFAOYSA-N 340.383 1.158 0 40 EDAB COCCSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 23563977 XYIWNFADTNBPNP-UHFFFAOYSA-N 334.401 1.431 0 40 EDAB CN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)c1ccccc1 12422764 YKPQQDSQJJPBPN-UHFFFAOYSA-N 329.381 1.575 0 40 EDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1ccncc1 42753117 HFDRYLNNOWRUHQ-KGLIPLIRSA-N 340.470 1.665 0 40 EDAB O=C(CCc1c[nH]c2ccccc12)OCCNC(=O)c1ccn[nH]1 96006850 RYKUUEAHGODTHV-UHFFFAOYSA-N 326.356 1.797 0 40 EDAB CNC(=O)[C@H]1CCC[C@]12CCN(S(=O)(=O)c1sccc1C)C2 108532718 IVWJXJKJWPLHAY-IUODEOHRSA-N 342.486 1.983 0 40 EDAB COC(=O)c1cc(OC)c(S(=O)(=O)N2CCCCC2)cc1OC 1428390 AXGRAWGUPWEQOM-UHFFFAOYSA-N 343.401 1.665 0 40 EDAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2cccs2)N1CCO 35379662 FSSAICSQXHAWEP-UKRRQHHQSA-N 339.438 1.389 0 40 EDAB Cc1noc(CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)n1 26521629 FPURUSCTTTZSNF-MRXNPFEDSA-N 344.327 1.160 0 40 EDAB Cc1cc(=O)n(CC(=O)NC[C@@H]2CCCO2)c(-c2ccccc2)n1 57526320 GCBHZSJRJAZGKK-HNNXBMFYSA-N 327.384 1.514 0 40 EDAB CCCS(=O)(=O)NC1CCN(C(=O)Cc2ccc(F)cc2)CC1 27057738 KTZVJTGGBFMVCC-UHFFFAOYSA-N 342.436 1.689 0 40 EDAB O=C(c1c[nH]c2c(OC(F)(F)F)cccc2c1=O)N1CCOCC1 44892412 RAZYOEMETVFTPI-UHFFFAOYSA-N 342.273 1.899 0 40 EDAB Cn1ccnc1CN(C(=O)C[C@H](NC(N)=O)c1cccs1)C1CC1 58214044 CWHUHBYFJRSLGO-LBPRGKRZSA-N 347.444 1.772 0 40 EDAB O=C(NCCOc1ccc2c(c1)OCO2)N[C@@H]1CCN2CCCC[C@H]12 44971871 JRIIUIABUKIWDG-HUUCEWRRSA-N 347.415 1.720 0 40 EDAB Cc1ccsc1C(=O)NC[C@@H]1CCN(CCN2CCOCC2)C1 44941641 GJEDPEBKRQWPGG-HNNXBMFYSA-N 337.489 1.440 0 40 EDAB CN(Cc1cnn(C)c1)Cc1ccc(S(=O)(=O)N2CCCC2)o1 44948665 DZLFHKFOVVSWCC-UHFFFAOYSA-N 338.433 1.430 0 40 EDAB CCOCCO[C@H](C)C(=O)N1CCC(C(=O)N(CC)CC)CC1 58379957 XOVFVQKCZNGTSP-CQSZACIVSA-N 328.453 1.535 0 40 EDAB COc1nc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc2ccccc12 58341064 VIPWZWIGEWKKLH-INIZCTEOSA-N 334.397 1.550 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)c1nc(C)n(-c2ccccc2Cl)n1 58393210 BUGZJWQGCMWLHH-UHFFFAOYSA-N 349.822 1.779 0 40 EDAB CCc1c(C)nn2c(O)cc([C@H]3CCN(C(=O)c4cc[nH]n4)C3)nc12 100727963 JTPLZPQJARZDKM-NSHDSACASA-N 340.387 1.659 0 40 EDAB CN(C)CCN(CCCc1ccccc1)C(=O)CCN1CCOC1=O 58370247 PIXZPDAGKMYXCH-UHFFFAOYSA-N 347.459 1.852 0 40 EDAB C[C@@H](C(=O)Nc1cc(F)cc(N2CCOCC2)c1)S(C)(=O)=O 58420123 KVVVSOWDAZSBCP-JTQLQIEISA-N 330.381 1.034 0 40 EDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ncc(C)s3)ccc21 10556331 KGWMAIWSSVEHFF-UHFFFAOYSA-N 330.369 1.727 0 40 EDAB CC[C@](C)(CNC(=O)NCc1nc(C)cs1)N1CCOCC1 48235437 LEFLSUFUWYLSNH-OAHLLOKOSA-N 326.466 1.752 0 40 EDAB Cc1nc(CNC(=O)NC2CCN(c3ncccn3)CC2)cs1 45342704 NVLZDPIHZZOWTD-UHFFFAOYSA-N 332.433 1.710 0 40 EDAB Cn1cnnc1[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 45741673 DUPRTIPULUGKKK-ZDUSSCGKSA-N 338.408 1.664 0 40 EDAB C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12813947 JHYWIZISCGRVMA-MWLCHTKSSA-N 348.827 1.925 0 40 EDAB COc1ccc(NC(=O)[C@H]2CCCO2)cc1S(=O)(=O)N(C)C 12820491 COJXQVOUNNYMSA-GFCCVEGCSA-N 328.390 1.063 0 40 EDAB CCN(CCC(=O)O)S(=O)(=O)c1ccccc1Br 38023694 JJRVFSPHXDTIAY-UHFFFAOYSA-N 336.207 1.934 0 40 EDAB CCc1nc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)no1 69570614 WJKNDHXBYCRVOB-INIZCTEOSA-N 344.327 1.328 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 69537423 USFMPYVWONNRAJ-CYBMUJFWSA-N 348.428 1.231 0 40 EDAB CC(C)CCN1CCN(C(=O)c2cccnc2-n2cncn2)CC1 48799373 YRWGJJXYAXHZJO-UHFFFAOYSA-N 328.420 1.466 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)C[C@@H](C)O1 18144671 SCZUELAUQPYVLK-TXEJJXNPSA-N 344.367 1.321 0 40 EDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)Nc1ccc(Cl)cn1 69697282 KNVFAZVYATXLTB-GFCCVEGCSA-N 334.811 1.677 0 40 EDAB CC(C)(C)CN(CCO)CC(=O)Nc1ccc(N2CCOCC2)cc1 69739647 KFFVBJLRAUFUSR-UHFFFAOYSA-N 349.475 1.802 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1 69737335 PBQDNXPQPNVTGU-UHFFFAOYSA-N 349.456 1.261 0 40 EDAB Cn1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O 5062504 FJXRACGSAOOYHE-UHFFFAOYSA-N 349.394 1.291 0 40 EDAB COC(=O)[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 64844362 VXIDNYDPXXXNRS-HNNXBMFYSA-N 347.392 1.734 0 40 EDAB Cc1cc(O)n2nc(C(=O)Nc3ccc4c(c3)OCCO4)nc2n1 13718360 WPLNPAHARLEQJR-UHFFFAOYSA-N 327.300 1.162 0 40 EDAB CCO[C@@H](CC)C(=O)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 69841670 KCIVNXUZKQPOQE-AWEZNQCLSA-N 341.371 1.862 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H]1Cn1cccn1 69893080 FCXQFUOYWGOBMN-CYBMUJFWSA-N 326.356 1.482 0 40 EDAB CCCNC(=O)CNC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 39984950 OSOUSTDVZOZXLX-CQSZACIVSA-N 339.823 1.550 0 40 EDAB CC1(C)S[C@@H]2[C@H](NC(=O)c3ccccc3F)C(=O)N2[C@@H]1C(=O)O 6393408 KMEXQIYEMOCEMV-GIPNMCIBSA-N 338.360 1.071 0 40 EDAB CCOC(=O)C1=C(CN2C[C@H](C)OC(C)(C)C2)NC(=O)N[C@@H]1C 65426794 WRHXVHJLFOJCBT-WDEREUQCSA-N 325.409 1.004 0 40 EDAB Cc1noc(C)c1CN1CCN(c2ncnc3c2CN(C)CC3)CC1 65475039 ZLYLXRPRNNZDTR-UHFFFAOYSA-N 342.447 1.392 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@H]1CCC(=O)NC1)O[C@@H](C)C2 65440944 NDXLDKKCEJBFOJ-RYUDHWBXSA-N 332.400 1.551 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)CSc1ccc(NC(C)=O)cc1 8719214 ACYWQMISJZAUEC-NSHDSACASA-N 337.445 1.768 0 40 EDAB Cc1nnc2n1C[C@@H](Nc1ccc3nnc(C(F)(F)F)n3n1)CC2 65540453 XKYVAORFLPPIDZ-QMMMGPOBSA-N 338.297 1.470 0 40 EDAB Cc1cc(NC[C@H]2CN(C)CCO2)n2nc(C(F)(F)F)nc2n1 65594027 HISBFSBAUQVLGS-VIFPVBQESA-N 330.314 1.194 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 14159177 LSDLNZAYDFHOPN-DZGCQCFKSA-N 329.400 1.551 0 40 EDAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1=COCCO1 14134990 KPIBPYCFSIPIFE-UHFFFAOYSA-N 347.396 1.960 0 40 EDAB C[C@H](C[S@@](C)=O)NC(=O)[C@@H](c1ccccc1F)N1CCOCC1 96010906 CMDIRBJYYYIFIJ-RBMQBQHJSA-N 342.436 1.082 0 40 EDAB CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(=O)Nc2ccccc21 66649911 ZUMATAOGAGAMST-YPMHNXCESA-N 333.413 1.102 0 40 EDAB CN(Cc1ccc(Cl)cc1)C(=O)CSc1nc(N)nc(N)n1 5831625 AUILTDIASZGXLG-UHFFFAOYSA-N 338.824 1.440 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)OC 7086149 FVDCRYZEYOXKOD-NOZJJQNGSA-N 348.321 1.571 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(CC(=O)N[C@H](C)C2CC2)CC1 71185592 YADZJHUNNFAZNB-MRXNPFEDSA-N 343.471 1.596 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 7307842 AQYDXUNBAFLCIV-LBPRGKRZSA-N 348.490 1.794 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1OC 7486130 ZPQNXJXRDBYJSI-UHFFFAOYSA-N 349.368 1.674 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C2=COCCO2)c1C 7655460 CHTXLTACCLFLRN-JTQLQIEISA-N 337.328 1.421 0 40 EDAB COc1ccccc1-c1noc(CN2CCCN(C(C)=O)CC2)n1 16443959 OSCRSTSRQDICAR-UHFFFAOYSA-N 330.388 1.799 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H]2CCCNC2)c(Br)c1 71397329 IJCRIAOHYMKXOV-JTQLQIEISA-N 333.251 1.788 0 40 EDAB Cc1csc(=O)n1CC(=O)O[C@H](C)C(=O)NC1CCCCCC1 8172582 JCAWNDSZNGFFMF-GFCCVEGCSA-N 340.445 1.989 0 40 EDAB COC[C@@H](C)N1C[C@@H](C(=O)Nc2nc3c(s2)CCCC3)CC1=O 8235299 ZBPQXPYKINDJNC-MNOVXSKESA-N 337.445 1.844 0 40 EDAB CCc1nnc2n1CCN(CC(=O)N[C@@H](c1ccccc1)C1CC1)C2 69451161 UOUMXHYLIRECAM-IBGZPJMESA-N 339.443 1.924 0 40 EDAB O[C@H](COCc1ccccc1)CN1CCO[C@H](Cn2cccn2)C1 69415735 BQUYBOKKMKTWEO-ROUUACIJSA-N 331.416 1.162 0 40 EDAB CCCCn1nnnc1CN1CCN([C@H](C)c2nc(CC)no2)CC1 69489546 RKOGDQZCPVBMIA-CYBMUJFWSA-N 348.455 1.297 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N1CCCC[C@H]1CN1CCCC1=O 72278012 VMIXTWYZLNWECF-CABCVRRESA-N 333.436 1.458 0 40 EDAB Cc1nn(C)c(C)c1CCNc1cc(N2CCC[C@@H]2CO)ncn1 72276096 WXPRRTNKDCBTDG-CQSZACIVSA-N 330.436 1.443 0 40 EDAB CCCO[C@H]1CCCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C1 71835089 IEMVJKFPLAIHJW-ZDUSSCGKSA-N 329.400 1.883 0 40 EDAB O=C(CC[C@@H]1CCCCO1)NC1CCN(CC(=O)NC2CC2)CC1 71896098 FCEJORHVWFQTSS-INIZCTEOSA-N 337.464 1.195 0 40 EDAB CN1C(=O)CCc2cc(NC(=O)Cn3nnc4ccccc43)ccc21 71847632 LWVZNFYLDUXEET-UHFFFAOYSA-N 335.367 1.979 0 40 EDAB O=C(c1cn(-c2ccccc2)nn1)N1CCC(Nc2cccnn2)CC1 71863366 HQCFDGIQIISQML-UHFFFAOYSA-N 349.398 1.774 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCC[C@H]2Cn2nc(C)cc2C)cn1 71870301 SUERLSYDFWNYON-HNNXBMFYSA-N 341.415 1.559 0 40 EDAB O=C(c1cnc2sccn2c1=O)N1CCCC[C@H]1Cn1cccn1 71865100 NPMLEXHADQWSJZ-LBPRGKRZSA-N 343.412 1.647 0 40 EDAB NC(=O)[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccccc1 71835211 OXWIHIALRNUZHW-SFHVURJKSA-N 335.363 1.344 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)NC[C@H](OC)c2ccccc2)C1 71924642 URMIBAMTLIKBIY-GJZGRUSLSA-N 335.404 1.904 0 40 EDAB COC(=O)C1(NCCCN2C(=O)NC(C)(C)C2=O)CCC(C)CC1 71912037 ZAGCUNVXCSPGPH-UHFFFAOYSA-N 339.436 1.418 0 40 EDAB CN1N=C(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CCC1=O 97198553 DSRHTPARTNRGJP-NSHDSACASA-N 331.420 1.220 0 40 EDAB Cc1ccccc1-n1nccc1NC(=O)N[C@H]1CCCCNC1=O 97033245 BQQUYPIBYGXVLE-ZDUSSCGKSA-N 327.388 1.971 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccn3c2)cc1 72794119 BZLJRFXXANTDKI-UHFFFAOYSA-N 329.381 1.517 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)NCc3cc(F)cc(F)c3)C2=O)cn1 95398377 TYMYFLDULNLKCT-AWEZNQCLSA-N 349.341 1.303 0 40 EDAB CC(C)n1ccc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)n1 95411508 GOLICYLACNOYIA-UHFFFAOYSA-N 335.371 1.803 0 40 EDAB CC(C)C(=O)NCCCNC(=O)N[C@H]1CCCC[C@H]1n1cccn1 95440290 IXUMCYZMIOAOPL-LSDHHAIUSA-N 335.452 1.828 0 40 EDAB Cn1ccc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1 95418638 VVKQDLCOVQOIRU-ROUUACIJSA-N 325.412 1.751 0 40 EDAB CC[C@H](C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1 98010430 XRYWLRPLQHGCNF-HOTGVXAUSA-N 326.400 1.835 0 40 EDAB COC(=O)[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)OC(C)(C)C 95698609 JEHGJBCIXLHGHA-ZDUSSCGKSA-N 336.392 1.695 0 40 EDAB in-vitro CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccn(C)c(=O)c1 95956407 SEGDAZIJACWAEY-UHFFFAOYSA-N 331.391 1.728 0 40 EDAB O=C(CN1CCN(c2ccncc2Cl)CC1)NC1CCOCC1 95980419 ZULCJSGKUITWNL-UHFFFAOYSA-N 338.839 1.152 0 40 EDAB COC(=O)[C@@H](C)[C@H](NCc1cc(=O)n2nccc2[nH]1)c1ccccc1 89143314 PAUBCZAALFZTGZ-SJCJKPOMSA-N 340.383 1.663 0 40 EDAB COc1ccc(Br)cc1CNC(=O)NCC[S@@](C)=O 89457425 FFVDGNHYDANXBK-IBGZPJMESA-N 349.250 1.635 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@@H](O)C2)cc1 89408273 YLMWUOHAIHAYGU-WFASDCNBSA-N 340.445 1.216 0 40 EDAB CCCOCC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 75127507 KEKBONASZPRJNO-AWEZNQCLSA-N 325.453 1.005 0 40 EDAB O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1ncn[nH]1 36360619 QEONDVKFZLQTMT-UHFFFAOYSA-N 330.311 1.214 0 40 EDAB CN1C(=O)CO[C@H](C(=O)Nc2cnn(C)c2)[C@@H]1c1ccccc1F 72241545 POHNYQJAVNJGKH-GJZGRUSLSA-N 332.335 1.096 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN3CCCC[C@H]23)C1 525399637 WXQIYMWEKNPESD-LJISPDSOSA-N 343.493 1.268 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)COC 218208487 FBPFMGPDSCKGRH-UPJWGTAASA-N 348.262 1.694 0 40 EDAB CCC[C@@]1(C)C(=O)NCCN1Cc1cc(OC)c2c(c1)OCCO2 189039210 XPAGOIMMCPMXAV-SFHVURJKSA-N 334.416 1.957 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)NC[C@@](C)(O)c1ccccc1Cl 120774715 RAPXSNWZETYUOE-XHDPSFHLSA-N 337.811 1.527 0 40 EDAB Cc1cc2nnc(SCC(=O)NCc3ccc(F)cc3)n2c(N)n1 35315128 YDTGMKUTRBEPDU-UHFFFAOYSA-N 346.391 1.563 0 40 EDAB O=C(c1ccncc1)N1CCN(c2cc(-n3cccc3)ncn2)CC1 75172265 KGNYUDWHDQQSKQ-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB COc1cccc(Oc2nccnc2[C@H]2CCCN(CC(N)=O)C2)c1 72361807 YHQAYFNHXMWGSY-ZDUSSCGKSA-N 342.399 1.942 0 40 EDAB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](O)C2CCCCC2)c1 69970351 VPMWDIOAARDMBS-INIZCTEOSA-N 347.415 1.641 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)C 217528676 YTRIEWOPBVKLFW-SNVBAGLBSA-N 330.406 1.518 0 40 EDAB COc1cccc(C(=O)N2CCn3c(nnc3[C@H]3CCCCN3)C2)c1 72374069 CBEIRBPJXMYREG-OAHLLOKOSA-N 341.415 1.757 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOCC 217411075 BBGHACKTDDRGKY-UHFFFAOYSA-N 330.406 1.522 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2C[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 217989474 APJBXMFIDGDCRU-CJNGLKHVSA-N 340.445 1.763 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)COc2ccccc2)ncc1C(N)=O 72345405 MSIBNYCYKRDGPD-HNNXBMFYSA-N 340.383 1.626 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CC1 217530057 YEGJWXMHBPIGQO-VIFPVBQESA-N 328.390 1.272 0 40 EDAB CN(C)c1cccc([C@H]2CCCN2CCCN2C(=O)CNC2=O)c1 75839106 WNWKCKINUKPUHX-MRXNPFEDSA-N 330.432 1.831 0 40 EDAB COc1cc(C)n(CCNC(=O)[C@H](C)Oc2ccccc2)c(=O)c1 238906838 RXISYMGWQHAINU-AWEZNQCLSA-N 330.384 1.749 0 40 EDAB Cc1ncsc1CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 78988776 MKUWIFRAGDWEDV-MRVPVSSYSA-N 336.339 1.414 0 40 EDAB COc1ccc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 46971207 FBGDXFSOWQGDIJ-UHFFFAOYSA-N 345.443 1.321 0 40 EDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n1 225400239 KWCDDXCRYMGCKE-OAHLLOKOSA-N 344.390 1.904 0 40 EDAB COc1ccc([C@@H](CC(=O)N2CCCCC2)NS(C)(=O)=O)cc1 225956748 VFVOTQHVRMWQHF-OAHLLOKOSA-N 340.445 1.688 0 40 EDAB Nc1nc(CN2CCN(CCC3(O)CCC3)CC2)nc2ccccc12 572607479 FRUZPQAWUNOOEC-UHFFFAOYSA-N 341.459 1.635 0 40 EDAB CN(c1cc(C(=O)NC[C@@H]2CCCO2)ccc1Cl)S(C)(=O)=O 225972855 QEXGAIFKGLBCCU-NSHDSACASA-N 346.836 1.645 0 40 EDAB O=C1C[C@H](c2cccnc2)C2(CCN(S(=O)(=O)C3CC3)CC2)N1 96199746 ORVPXCMHPFCVFW-CQSZACIVSA-N 335.429 1.012 0 40 EDAB c1csc(CN2Cc3nccn3C[C@@H](CN3CCOCC3)C2)c1 96066993 RPCARTNILKYGLN-HNNXBMFYSA-N 332.473 1.909 0 40 EDAB COc1ncccc1CN1C[C@H](C(=O)NCC2CC2)C[C@H]2OCC[C@H]21 96064911 MFKAIWRFASRSIA-BRWVUGGUSA-N 345.443 1.596 0 40 EDAB C[C@H]1[C@@H](C)SCCN1C(=O)Cn1cc(Br)ccc1=O 96411124 RYKGYNCZSORAOE-VHSXEESVSA-N 345.262 1.963 0 40 EDAB COC(=O)[C@H](c1ccccc1C)N1CCN(Cc2nccn2C)CC1 97094883 BSHUZXZYSXJSNW-SFHVURJKSA-N 342.443 1.760 0 40 EDAB Cc1noc([C@@H](C)NC(=O)N2CCN(c3ncccc3F)CC2)n1 331902164 WDZDKCHGTVBOAH-SNVBAGLBSA-N 334.355 1.505 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cccc(OC(C)C)n2)C1 330636810 VJBUQQSFSBTIGK-LBPRGKRZSA-N 341.433 1.023 0 40 EDAB CN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC(=O)N1 96423830 HEERZAMUKQRURD-KRWDZBQOSA-N 341.411 1.806 0 40 EDAB COc1ncccc1CN1Cc2nnn(C)c2[C@@H](COCC2CC2)C1 96198583 KHHNETMYQYLKEJ-OAHLLOKOSA-N 343.431 1.745 0 40 EDAB Cc1ccc(N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCCC3)C2)nn1 97953638 FOIMUOVBRNTBBW-HRCADAONSA-N 330.432 1.685 0 40 EDAB CN(C)C(=O)NC[C@@H]1OC[C@H]2CN(Cc3cccc(F)c3)CC[C@H]21 96185275 KLFSQAFDGLLSNP-OIISXLGYSA-N 335.423 1.934 0 40 EDAB COCCC(=O)N1CC[C@@]2(COCc3cnc(NCC4CC4)nc32)C1 96244131 BNIAJWVZTYATEZ-SFHVURJKSA-N 346.431 1.335 0 40 EDAB CCc1nncn1CCNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 95437624 CORKDOVYGXBFCF-AWEZNQCLSA-N 333.392 1.525 0 40 EDAB CN1C[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2ncon2)CC1=O 96485603 FJUSOVHEOHESDD-GWCFXTLKSA-N 334.763 1.407 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)CCn1c(=O)oc3ccccc31)CC2 97199042 QTLKOGJURCYEGW-LBPRGKRZSA-N 341.371 1.016 0 40 EDAB CCN(CC)C[C@H]1CN(C(=O)c2cc(C)on2)Cc2nccn2C1 96188288 DECJTLSFXFEOIG-CQSZACIVSA-N 331.420 1.794 0 40 EDAB COc1c(CN2CCN(c3cc(C)nc(C)n3)CC2)c(C)nn1C 92703832 QDORDSDUAYGINX-UHFFFAOYSA-N 330.436 1.466 0 40 EDAB Cc1cncc(C(=O)N2CCC[C@@]3(CCCN3S(C)(=O)=O)C2)c1 96214952 JYRYKJUNVQEZEK-MRXNPFEDSA-N 337.445 1.420 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(N)C(=O)O 242522162 IJSYYZNIRUEONY-HOSYDEDBSA-N 348.218 1.132 0 40 EDAB Cn1nccc1C(=O)NCC[C@@H]1CCOC12CN(Cc1ccoc1)C2 248078388 ZZJUGQDPDNTVGC-OAHLLOKOSA-N 344.415 1.424 0 40 EDAB COc1cc(N2CC3(C2)OCC[C@H]3COc2cccnc2)ncn1 247882307 JKKUUVZLGWXTAC-ZDUSSCGKSA-N 328.372 1.555 0 40 EDAB Cn1cc(CN2CC3(C2)OCC[C@H]3CCOc2cccnc2)cn1 248102210 FGABWMCWJPFYJZ-MRXNPFEDSA-N 328.416 1.875 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 248017507 LGKNQHYKNZBIKC-DZKIICNBSA-N 336.457 1.920 0 40 EDAB CNc1cc(CC[C@H]2CN(C(=O)CCn3ccnc3)CCO2)ccn1 257334715 YHBVBHPALBUOIJ-INIZCTEOSA-N 343.431 1.570 0 40 EDAB O=C1[C@H](NS(=O)(=O)N2CCc3ccccc3C2)C[C@H]2CCCCN12 584399535 QAKDPPWUICHFJA-HZPDHXFCSA-N 349.456 1.033 0 40 EDAB COc1ccccc1[C@@H]1Cn2ccnc2CN1C(=O)Cn1cccn1 257248178 JCMOJROYCXFZAV-HNNXBMFYSA-N 337.383 1.872 0 40 EDAB Cc1cccc(N2CCC[C@@H](N(C)S(=O)(=O)c3cn(C)cn3)C2)n1 257233338 GOWDNHKHIDCGLP-CQSZACIVSA-N 349.460 1.413 0 40 EDAB O=C(CCCn1ccnc1)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257250096 JLAGGKNCPARGFQ-JFIYKMOQSA-N 329.400 1.750 0 40 EDAB Cc1c[nH]c([C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257235270 GXCPVQSJXWWESE-HNNXBMFYSA-N 328.420 1.682 0 40 EDAB COc1ccsc1S(=O)(=O)N1CCC2(CCN(C)CC2)C1 585115025 JMHQDFCZKKMZGN-UHFFFAOYSA-N 330.475 1.863 0 40 EDAB Cc1c(S(=O)(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cnn1C 585142093 OUVGYADRMCCKAR-HUUCEWRRSA-N 346.456 1.137 0 40 EDAB CN1CCN(C2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 257280842 OMQFXLVFCFAJRG-QGZVFWFLSA-N 337.489 1.399 0 40 EDAB COc1cc(CCC(=O)N2CCC[C@@H]2c2cncc(N(C)C)n2)on1 257276976 NVYCIZCWANXCMV-CQSZACIVSA-N 345.403 1.836 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2cc(C3CCCCC3)no2)C1 257314852 UYUCOZIEPIPVCY-CQSZACIVSA-N 348.447 1.472 0 40 EDAB COc1cc(OC)c2c(c1)C(=O)N(CCc1ccccn1)S2(=O)=O 252479727 BLLPOTDAMWBRFM-UHFFFAOYSA-N 348.380 1.486 0 40 EDAB Cc1nc(-c2cc[nH]n2)cc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257283695 OZKNHVNFQSXKNY-CQSZACIVSA-N 336.421 1.118 0 40 EDAB COc1ccccc1NC(=O)C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 262845309 SQFOEFBNGRPKGZ-STQMWFEESA-N 346.383 1.593 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1c1ccc(Cl)cc1 263122357 RNJJJSBQBMDRIB-UONOGXRCSA-N 348.790 1.648 0 40 EDAB COCCOc1ccc(NC(=O)N[C@H]2C(=O)NCC[C@@H]2C)cc1F 282836266 VXIBFHHOMYCHIE-IINYFYTJSA-N 339.367 1.497 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)N(C)Cc1nc2ccccc2[nH]1 599004611 UPNMNVWYRQSVSO-LBPRGKRZSA-N 335.433 1.311 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@@H]4C[C@@]43CO)ccc12 1615586827 SULILQWGOKIBCR-BFUOFWGJSA-N 343.379 1.854 0 40 EDAB COc1nc(CNC(=O)c2ccc3ncsc3c2)nc(OC)n1 575607746 PZSRUUNXWMKFSJ-UHFFFAOYSA-N 331.357 1.429 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575405677 UCDZPQRGKSZSAL-GFCCVEGCSA-N 328.459 1.760 0 40 EDAB CC(C)S(=O)(=O)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585278106 ZSZHNOKQVZLCDK-HNNXBMFYSA-N 331.409 1.170 0 40 EDAB CO[C@@]1(COc2cccc(F)c2)CCN(C(=O)c2cnn(C)c2)C1 585278502 TVHNWFOUPSHDJD-KRWDZBQOSA-N 333.363 1.869 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccccc1C)[C@@H]2C 585098368 XBAAOPHWYHBKQU-CYBMUJFWSA-N 330.388 1.715 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](c2cnn(C)c2)c2noc(C)n2)cc1 585142458 WYFCPBQJEIEWPQ-CQSZACIVSA-N 347.400 1.488 0 40 EDAB CC(=O)Nc1ccc(CC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 152451884 NBWOILJWEHTRAD-KRWDZBQOSA-N 338.411 1.978 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1Cc1ccc(F)cc1 55999280 SRINCPCFSRRRGJ-UKRRQHHQSA-N 325.405 1.794 0 40 EDAB COC[C@H](C)NC(=O)C1CN(c2nc3c(OC)cccc3s2)C1 75172301 ROLQNRLYZOOJRP-JTQLQIEISA-N 335.429 1.892 0 40 EDAB Cc1noc(CCCNC(=O)c2ccc(N3CCOCC3)c(F)c2)n1 71883340 YVECHYVHRUYPTN-UHFFFAOYSA-N 348.378 1.716 0 40 EDAB Cn1nc2c(c1CN1CCn3c(nnc3C(F)(F)F)C1)CCC2 892058721 FBUFTGJVWUVXRP-UHFFFAOYSA-N 326.326 1.535 0 40 EDAB CC(C)CN1CCN(C(=O)c2cnn(C)c2C(F)F)[C@@H](C)C1=O 547646533 VPPOECCAUAXVDZ-JTQLQIEISA-N 328.363 1.687 0 40 EDAB CCN(C)S(=O)(=O)c1c(C)nn(Cc2nnc(C)n2CC)c1C 97047930 PCMJRLMIPHYPRW-UHFFFAOYSA-N 340.453 1.108 0 40 EDAB CN(C(=O)COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1ccccc1 5877146 YQVQJLWWULOXJQ-GUYCJALGSA-N 348.424 1.647 0 40 EDAB Cc1cnc(C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)cn1 12366122 WBCMKLCNYZCFCC-OAHLLOKOSA-N 326.400 1.750 0 40 EDAB Cn1c(=O)c(=O)n(C)c2cc(NC(=O)c3c(F)cccc3F)ccc21 13364463 NLXMEGQPHAWZGC-UHFFFAOYSA-N 345.305 1.768 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1 169619730 HWGDPWQYIQOKHA-XWTMOSNGSA-N 340.423 1.854 0 40 EDAB O=C(CN1C(=O)N/C(=C\c2ccccc2)C1=O)Nc1nccs1 4537872 GISJRTYQAGAHKS-FLIBITNWSA-N 328.353 1.675 0 40 EDAB CCOC(=O)/C=C/C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 7370851 PWOWXBVWMGLRJQ-CMDGGOBGSA-N 343.343 1.360 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2c(C)nn(C)c2C)C1 225387752 DYIQVEPPNIXGFI-GFCCVEGCSA-N 331.376 1.129 0 40 EDAB C[C@H]1C[C@H](NC(=O)Nc2cn(C)nn2)c2ccsc2S1(=O)=O 555267486 FJPOJDRSLXHINH-CBAPKCEASA-N 341.418 1.305 0 40 EDAB CSc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 6869819 AFLHAYHLBLVZKV-CQSZACIVSA-N 334.441 1.872 0 40 EDAB O=S(=O)(NC1CCN(C[C@H]2CCCCO2)CC1)c1ccccc1 25044486 XUCLPZMAELOMMU-MRXNPFEDSA-N 338.473 1.998 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 244970217 HOIPITSALYMZEM-KFWWJZLASA-N 345.509 1.037 0 40 EDAB O=C(c1cnccn1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037905616 QTKWRAOTVZISRB-KRWDZBQOSA-N 331.347 1.662 0 40 EDAB Cc1nccc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)n1 2086968308 OZVGIBWKSTWUPP-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2ncnc3c2cnn3C)C1 2087131232 KCDYYAYAYYSPON-GFCCVEGCSA-N 330.436 1.837 0 40 EDAB O=C(c1ccc(Cl)cc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1565522948 WAYVJAKUHJSJLT-UHFFFAOYSA-N 334.738 1.758 0 40 EDAB COC1(CC(=O)N2C[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)CCC1 1565545673 KDAYIMBCWJSALH-LSDHHAIUSA-N 346.431 1.099 0 40 EDAB Cc1cc(C)c(-n2nnn([C@H]3CC(=O)[C@@H]4OC[C@H]3O4)c2=S)c(C)c1 974368 ZILGJTVKUBMBFG-NJZAAPMLSA-N 346.412 1.979 0 40 EDAB CNCCCN[C@@H](CC(=O)Nc1cc(Cl)ccc1OC)C(=O)O 8486130 NWLYHPYJBMZEKU-LBPRGKRZSA-N 343.811 1.330 0 40 EDAB Cn1ncc2c(=O)n(Cc3nc(-c4ccc(F)cc4)no3)cnc21 26171222 LOAPXCOHVRHUJP-UHFFFAOYSA-N 326.291 1.367 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N(C)CCCOc2ccccc2)C[C@@H](C)O1 40091331 MPJYHPVISQMHFQ-HUUCEWRRSA-N 342.461 1.741 0 40 EDAB O=C(NCc1ccco1)N1CCN(C(=O)c2ccccc2O)CC1 40123044 UIUZDVGNSRGENB-UHFFFAOYSA-N 329.356 1.653 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 31396694 LHQBQTNZWOABOO-KBPBESRZSA-N 342.399 1.592 0 40 EDAB Cc1cccc(Cn2nccc2NC(=O)C2=NN(C)C(=O)CC2)c1 40504632 IFCMDJVDOOHXJE-UHFFFAOYSA-N 325.372 1.787 0 40 EDAB CCCCc1noc(CN2CCCC[C@@H]2CNS(C)(=O)=O)n1 40511271 OYERWZXFCCZQMP-GFCCVEGCSA-N 330.454 1.316 0 40 EDAB CCOC(=O)c1c(C)nn2c(=O)cc(COC(=O)[C@H](C)CC)[nH]c12 101054429 QGXYDGXGTSVUGD-SECBINFHSA-N 335.360 1.597 0 40 EDAB COc1ccc(N2C(=O)[C@H]3C(c4cn(C)nc4C)=NO[C@H]3C2=O)cc1 101343929 SGWQMTLXQBWAIF-DZGCQCFKSA-N 340.339 1.030 0 40 EDAB CCn1nc(C)c(CNc2c(NCc3ccncc3)c(=O)c2=O)c1C 101697608 NVHMQBAOZQAGID-UHFFFAOYSA-N 339.399 1.735 0 40 EDAB CCOC(=O)Cn1c([C@H]2CC(=O)N(CCOC)C2)nc2ccccc21 21172055 FRGWXZJDKOXPIJ-ZDUSSCGKSA-N 345.399 1.562 0 40 EDAB O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)N1CCS(=O)(=O)CC1 96415571 COOWRMOJNHICEV-CVEARBPZSA-N 336.457 1.838 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1ccccc1N1CCOCC1)CC2 69661115 OYHPYZXJGVMESU-MRXNPFEDSA-N 341.459 1.782 0 40 EDAB CN(CC(=O)NCc1ccccc1F)CC1CCN(CCO)CC1 69628621 ATOGKKSUUBCTCC-UHFFFAOYSA-N 337.439 1.078 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(C)C 1642757 HPCAUARJFQDLKR-DLBZAZTESA-N 346.427 1.882 0 40 EDAB CC(=O)Nc1ccc(Cc2[nH]c(=O)[nH]c(=O)c2Br)cc1 1748122 NUWVSWOKBBUPTE-UHFFFAOYSA-N 338.161 1.375 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCS(=O)(=O)CC1 78446746 GHBRTGBJZRUXSZ-NXEZZACHSA-N 328.356 1.548 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)[C@H]2COc3ccccc32)cc1 78680777 XEHBENLCRSGKGT-INIZCTEOSA-N 340.379 1.604 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(CCc3ccc4c(c3)CCO4)C2)n[nH]1 78900475 FWTMRTDLMKDBOG-HNNXBMFYSA-N 340.427 1.866 0 40 EDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCCc2ccccc21 79019033 ADLHVOCMEVMHSS-HOCLYGCPSA-N 336.457 1.647 0 40 EDAB COc1ccc(CCNC(=O)C(=O)NC2CCCCC2)cc1OC 3058057 UJPGNUPWFBTIHA-UHFFFAOYSA-N 334.416 1.811 0 40 EDAB C[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 96445704 VUXSREHEQCNQGV-CYBMUJFWSA-N 338.473 1.578 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)C 33026224 SFXSHGRHRPBGMV-MRVPVSSYSA-N 335.223 1.204 0 40 EDAB CCOc1cc2c(cc1CNC(=O)C1=NN(C)C(=O)CC1)O[C@H](C)C2 21938289 UHDRGQDNABUWMH-LLVKDONJSA-N 345.399 1.633 0 40 EDAB CCC(=O)OCCN(CCOC(=O)CC)C(=O)[C@@H](C)OC(=O)CC 4428339 NGHJNZBRCDNCOW-GFCCVEGCSA-N 345.392 1.063 0 40 EDAB COCCn1c(C)nnc1SCC(=O)Nc1nnc(C)s1 4877448 HSMVFYAONPVOMZ-UHFFFAOYSA-N 328.423 1.124 0 40 EDAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC[C@H](C)O)o2)c1 7540601 RUUIJIFKDCYZNS-NSHDSACASA-N 347.367 1.990 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)NCC1(c2ccccc2)CCC1 69740450 OTXOVBQKKUREIT-MRXNPFEDSA-N 339.443 1.421 0 40 EDAB CC1(C)CC(NC(=O)Cn2cnc3ccccc3c2=O)CC(C)(C)N1 10812502 UZSCNCPEBYECCI-UHFFFAOYSA-N 342.443 1.822 0 40 EDAB CCCN(CCc1cccc(F)c1)C(=O)Cn1ccc(=O)n(C)c1=O 69737018 LJDLGQMQAAYGQH-UHFFFAOYSA-N 347.390 1.167 0 40 EDAB CCn1cc(Cn2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cn2)cn1 2809394 TVLZJBQQYIDTMV-CABCVRRESA-N 345.403 1.977 0 40 EDAB O=C(C=C(C1CC1)C1CC1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 69742363 QDGNYKISWMHKRY-CVEARBPZSA-N 338.473 1.110 0 40 EDAB CCc1ccc(/C=c2/s/c(=C\C(=O)c3ccncc3)[nH]c2=O)cc1 104548585 FSLRGYXPVXBCHJ-HMQSQOOHSA-N 336.416 1.886 0 40 EDAB CCCN1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 69743570 PEKRYSGPXYMJMJ-UHFFFAOYSA-N 342.461 1.810 0 40 EDAB O=C(Cc1cccc2cccnc12)NC[C@@H]1CN2CCC[C@H]2CO1 61649400 BAUPBDHBKXDFPC-DLBZAZTESA-N 325.412 1.757 0 40 EDAB CC(C)(CNC(=O)Nc1ccc2c(c1)OCCO2)N1CCOCC1 24573816 ZXKSFFKRNUOUNE-UHFFFAOYSA-N 335.404 1.690 0 40 EDAB Cc1ccccc1OCC(=O)NC(=S)Nc1nnn(CC(C)C)n1 9140172 QHTAFNFCIFZHFK-UHFFFAOYSA-N 348.432 1.530 0 40 EDAB COC(=O)c1ccc2c(c1)CCN2C(=O)CCNC(=O)c1ccco1 25180975 KTHJVNCIHLNHOO-UHFFFAOYSA-N 342.351 1.775 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(NS(C)(=O)=O)c1 12526305 LGESLKMNDHYOCK-UHFFFAOYSA-N 345.402 1.464 0 40 EDAB Brc1cnc(NC[C@@H]2CN3CCCC[C@H]3CO2)nc1 108363777 FYRLJOISMFBXKM-NWDGAFQWSA-N 327.226 1.904 0 40 EDAB O=C(c1n[nH]c2c1CNCC2)N1CCN(Cc2ccccc2)CC1 35933494 FNHOSYLZZBHMGF-UHFFFAOYSA-N 325.416 1.013 0 40 EDAB CCN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc(CNC(C)=O)s1 58292238 GYCKUMAITXLKNU-LBPRGKRZSA-N 346.474 1.431 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CCCN2Cc2nnc(C)n2C)cc1 58218753 OMMPJUAQMJPCPL-HNNXBMFYSA-N 329.404 1.735 0 40 EDAB Cc1cc(CN(C)C(=O)Nc2ccc(N3CCOCC3)nc2)no1 48079802 CQKXFBLCHVZFLG-UHFFFAOYSA-N 331.376 1.879 0 40 EDAB O=C(c1cccnc1)N1CCO[C@H]2CCN(Cc3ccccn3)C[C@@H]21 108531444 RWQOKGJCKYFYJC-ROUUACIJSA-N 338.411 1.592 0 40 EDAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCN(c2ncccn2)CC1 44939272 PPAYJNUDPZYBFE-UHFFFAOYSA-N 348.410 1.554 0 40 EDAB CC(C)[C@@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)N1CCCC1 44934684 BMLNJSYQJARQBY-MRXNPFEDSA-N 342.443 1.784 0 40 EDAB CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nc(C(C)C)n[nH]1 12602927 DHWPRZWQXWMNLO-NSHDSACASA-N 340.449 1.964 0 40 EDAB CCOc1ncccc1CNC(=O)c1csc(S(N)(=O)=O)c1 58315431 NTOAAPWTQYOLDN-UHFFFAOYSA-N 341.414 1.119 0 40 EDAB O=c1cc2c(nn1CN1CCN(c3ccc(F)cc3)CC1)CCC2 58402869 NPKNQBORIBUGNU-UHFFFAOYSA-N 328.391 1.651 0 40 EDAB CC(C)(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)O)cc1 28232617 WLRJXIGOLYXBQX-UHFFFAOYSA-N 338.371 1.803 0 40 EDAB CC(C)(C)NC(=O)CN1CCN(c2ncnc3ccsc23)CC1 28623685 VRJXZODDTNAQBO-UHFFFAOYSA-N 333.461 1.728 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 28665748 OXEGDLIVZAXYOV-AWEZNQCLSA-N 332.381 1.588 0 40 EDAB O=C(NCCc1ccccc1)c1nn(-c2ccc(F)cc2)nc1CO 8613544 HKHYSIBRWGXSJX-UHFFFAOYSA-N 340.358 1.871 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 409303296 IBFKGMSGUGDESQ-ZXFNITATSA-N 327.336 1.058 0 40 EDAB CC(=O)c1ccccc1NC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O 3383778 QKKNIBYLLLIABL-UHFFFAOYSA-N 345.355 1.275 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccco1 3349152 MZKHQYOZRAZGAE-CQSZACIVSA-N 336.413 1.716 0 40 EDAB CC(C)N(C)C(=O)C1CCN(Cn2nnc3ccccc3c2=O)CC1 29586462 GRZNVEHBSWAIRY-UHFFFAOYSA-N 343.431 1.328 0 40 EDAB COCCN1CCCN(C(=O)c2cc(Cl)c3c(c2)OCO3)CC1 48314540 DIVDDDNCZRAZLF-UHFFFAOYSA-N 340.807 1.863 0 40 EDAB Cc1ccccc1[C@H](C)NC(=O)Cn1nnn(-c2ccccc2)c1=O 12872650 XJKLWEQKDSMEGS-AWEZNQCLSA-N 337.383 1.615 0 40 EDAB CCOC(=O)[C@@H]1CSCCN1CC(=O)Nc1ccc(OC)cc1 12892633 OXKQPAMKHFYELO-AWEZNQCLSA-N 338.429 1.614 0 40 EDAB CN(CC(=O)N1CCCN(c2cccnn2)CC1)Cc1ccccc1 69948858 IYHOLEICXXUHEA-UHFFFAOYSA-N 339.443 1.647 0 40 EDAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NC2CC2)C1=O 3610623 RCFUTBSQXRYLOG-IBGZPJMESA-N 337.379 1.885 0 40 EDAB C[C@@H](NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)c1ccncc1 65444262 CMVNBXRXXZFLJV-OCCSQVGLSA-N 340.449 1.256 0 40 EDAB O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2nnnn2C2CC2)C1 65515891 OLUURBXOFIDXHK-ZDUSSCGKSA-N 345.382 1.543 0 40 EDAB COC(=O)[C@@H](Sc1cc(NC(C)=O)ccc1N)[C@H](C)C(=O)OC 4661244 ARLQEZDUAYYFOW-SDBXPKJASA-N 340.401 1.670 0 40 EDAB Cn1cc(S(=O)(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cn1 66250442 ABPUQEWLXNOBBM-UHFFFAOYSA-N 343.412 1.895 0 40 EDAB COCCN1C[C@@H](C(=O)N2CCC[C@H](c3nccs3)C2)CC1=O 67046899 PDSOUUDDTYEGIQ-STQMWFEESA-N 337.445 1.344 0 40 EDAB C[C@@H](C(=O)NC1CCCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 15302871 HFBVWJDKTVUQKR-GOEBONIOSA-N 337.464 1.147 0 40 EDAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(F)cc2)c2ccccc2O1 7252625 LNSIWWBUBWHNEH-MRXNPFEDSA-N 343.358 1.778 0 40 EDAB Cc1ccc(-n2cc(S(=O)(=O)N[C@H](C)c3nncn3C)cn2)cc1 70040279 YOCMZEOLSZSXHR-GFCCVEGCSA-N 346.416 1.349 0 40 EDAB Cc1ccc(CC(=O)N2CCN(C(=O)COCC3CC3)CC2)cc1 69453879 YHEOUGOTDRVHMW-UHFFFAOYSA-N 330.428 1.635 0 40 EDAB Cc1noc([C@H](C)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 69413686 PUZAJADKWFOOQN-WFASDCNBSA-N 329.404 1.283 0 40 EDAB O=C(NCCO)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 69483652 CIWMPAAKNIJNEG-UHFFFAOYSA-N 339.395 1.932 0 40 EDAB CCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1nc2ccccc2[nH]1 69532465 KTRNBQCMTJGHRZ-ZDUSSCGKSA-N 332.429 1.833 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc[nH]1 69563717 AGJWTJDWBPPJDX-LBPRGKRZSA-N 331.376 1.879 0 40 EDAB CCc1nc(CN2CCC[C@@H](NCc3cccc(C(N)=O)c3)C2)no1 71882274 IGAUHNAFRMLCJK-OAHLLOKOSA-N 343.431 1.485 0 40 EDAB CCc1ncc2c(n1)CN(Cc1cccc(OCC(N)=O)c1)CC2 71880396 FHOXWYSPDNRIFY-UHFFFAOYSA-N 326.400 1.461 0 40 EDAB O=C(c1cc2c(F)cccc2[nH]1)N1CCC[C@H](N2CCNC2=O)C1 71841716 DEFCQBCCWBAIBY-NSHDSACASA-N 330.363 1.937 0 40 EDAB CCc1nc(CN2CCC[C@@H](N(C)Cc3cnc(C)cn3)C2)no1 71882284 GCPHHOGMBFQIGZ-OAHLLOKOSA-N 330.436 1.827 0 40 EDAB COc1ccc(OCCn2c(=N)n(CC(N)=O)c3ccccc32)cc1 19973653 CYAWPIQAGIKBBT-UHFFFAOYSA-N 340.383 1.495 0 40 EDAB O=C(Cn1cncn1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 72290279 GWQTZPSZZJFWKV-MRXNPFEDSA-N 334.807 1.904 0 40 EDAB CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)Nc2cn[nH]c2)cc1 72289162 AEAAPPBZPZNJGU-LBPRGKRZSA-N 331.376 1.483 0 40 EDAB O=C(c1cccc(-n2cccn2)n1)N1CCN([C@@H]2CCSC2)CC1 87493824 OPLLCLRQLGCDEB-CQSZACIVSA-N 343.456 1.531 0 40 EDAB Cc1ccccc1-n1ccn(CC(=O)NC2CCCCC2)c(=O)c1=O 67320546 JSZOSGRKMNQROC-UHFFFAOYSA-N 341.411 1.757 0 40 EDAB CCCNC(=O)CCNC(=O)N1CCc2c(F)ccc(F)c2C1 84153896 XQNSDUDNCVJMKM-UHFFFAOYSA-N 325.359 1.949 0 40 EDAB O=C(C[C@@H]1CCCN1S(=O)(=O)c1c[nH]cn1)c1cccs1 97046890 AOZCPVUPGQFWHK-JTQLQIEISA-N 325.415 1.897 0 40 EDAB Cc1cc(C)cc(C[C@@H](C)NC(=O)CCS(=O)(=O)N(C)C)c1 97032201 UUEIFQWKFAUMTG-CQSZACIVSA-N 326.462 1.632 0 40 EDAB C[C@H](CCNS(=O)(=O)c1c(F)cccc1Cl)[S@@](C)=O 97147154 IQZASOPKRZYFND-CVJBHZAOSA-N 327.830 1.915 0 40 EDAB CN(Cc1cnn(-c2ccccc2)c1)c1ncnc2c1cnn2CCO 97200337 BONSOIYZUCMUPG-UHFFFAOYSA-N 349.398 1.641 0 40 EDAB NC(=O)c1ccsc1NC(=O)CCN1CCC[C@@H](c2cc[nH]n2)C1 95350154 OBKXWZWALLDFPZ-LLVKDONJSA-N 347.444 1.778 0 40 EDAB Cc1ccc(NCCNC(=O)CCc2nc(C3CCCC3)no2)nn1 95416890 NMQLOXZUQYVAKD-UHFFFAOYSA-N 344.419 1.987 0 40 EDAB O=C1CC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C(=O)N1 95430605 AIIWQIIWWOZHHP-SNVBAGLBSA-N 349.799 1.999 0 40 EDAB CC1(C)CCc2ccccc2[C@H]1NC(=O)CN1CCCS1(=O)=O 95434649 TTWGOJARNMMXMK-MRXNPFEDSA-N 336.457 1.852 0 40 EDAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OCC(N)=O)c12 73870129 DKKKYLLRKQTYTL-UHFFFAOYSA-N 329.287 1.979 0 40 EDAB CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1 95994512 YMARTQVIEKTQNR-IAQYHMDHSA-N 341.814 1.505 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)Cc3c(C)noc3C)CCO2)n1 89289699 XQRSDTICUGIIIG-IINYFYTJSA-N 347.419 1.751 0 40 EDAB CCn1c(C)nnc1CN(C)[C@@H]1CCN(CCc2ccncc2)C1 89300521 JGPKNEDFIWFVRP-QGZVFWFLSA-N 328.464 1.750 0 40 EDAB Cc1cc(C)n(-c2ccc(NCC3(CS(C)(=O)=O)CC3)nn2)n1 89595733 CZFJPGRHXUQSAT-UHFFFAOYSA-N 335.433 1.516 0 40 EDAB C[C@@H](NS(=O)(=O)c1cnn(C)c1)[C@H](O)c1ccc(F)c(F)c1 89598482 DCOVUAWCMFTZPG-OQPBUACISA-N 331.344 1.099 0 40 EDAB Cc1cc(NC(=O)Cn2nnnc2CCCc2ccccc2)n(C)n1 89593862 VRPFXTUIPAGUNA-UHFFFAOYSA-N 339.403 1.529 0 40 EDAB Cc1nc([C@@H](C)NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)no1 89718091 JGXUMBLJTZEHJO-IAQYHMDHSA-N 348.378 1.768 0 40 EDAB O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1scnc1C1CC1 89813136 RRQYCBCPFSKCAK-QMMMGPOBSA-N 333.335 1.914 0 40 EDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCCc1nnc2n1CCCCC2 89917552 QTVLQWUBQJIWCH-WQVCFCJDSA-N 347.463 1.660 0 40 EDAB CCOC(=O)NCCNC(=O)NC[C@H](c1ccco1)N1CCCC1 75605891 GEFHQRWRQNEBAZ-CYBMUJFWSA-N 338.408 1.462 0 40 EDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCc2ccccn2)cc1 408601344 FUASZMQLZIWNRW-GFCCVEGCSA-N 349.412 1.073 0 40 EDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 218095224 KSJLTGNDNCCQGM-IAGOWNOFSA-N 346.452 1.539 0 40 EDAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)N(C)Cc1ccc(F)cc1 79100401 YQCQUEFOZKDVSU-QWHCGFSZSA-N 344.452 1.538 0 40 EDAB CC(=O)N1CC[C@@](C)(C(=O)Nc2cccn(CC(F)(F)F)c2=O)C1 532306446 HPDIEWYBROSXEL-CQSZACIVSA-N 345.321 1.608 0 40 EDAB Cc1ccnn1C[C@H](C)CNS(=O)(=O)c1cnn(C(F)F)c1C 36614446 FPQSPIBNLDOIPP-SECBINFHSA-N 347.391 1.706 0 40 EDAB COc1ccc2c(C)cc(=O)oc2c1OC[C@@H](O)CN1CCOCC1 31794083 HHRUWTNKMQEHDO-ZDUSSCGKSA-N 349.383 1.182 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)Cc1cccc(O)c1 78929376 VZNOOSVXSWUROU-LBPRGKRZSA-N 330.306 1.604 0 40 EDAB O=C(NCCNC(=O)c1c(F)cccc1F)NC[C@H]1CCOC1 79036269 PTEKOWJZZFKVLT-SNVBAGLBSA-N 327.331 1.030 0 40 EDAB O=C(COc1nc(Cc2ccc(F)cc2)no1)NCc1ccccn1 79031662 IEKJPJWUGCSNIO-UHFFFAOYSA-N 342.330 1.890 0 40 EDAB Nc1nc2c(s1)CN(c1ccc3nnc(C(F)(F)F)n3n1)CC2 32916215 RTXFAJNZPVTUDY-UHFFFAOYSA-N 341.322 1.745 0 40 EDAB COc1ccc(Br)c(C(=O)N2CCO[C@@H](C(=O)O)C2)c1 43700669 XUCJPRPTYSFSBK-LLVKDONJSA-N 344.161 1.383 0 40 EDAB COC[C@H]1CN(c2nnc(-c3c(C)nc4ccccn34)n2C)CCO1 566219578 DLPGDXYYFALOJK-CYBMUJFWSA-N 342.403 1.290 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 78602769 NGNZNSOQIZUKJP-KRWDZBQOSA-N 345.443 1.341 0 40 EDAB Cc1cc(NC(=O)C(=O)NCCCN(C)C)ccc1Br 42646185 PHTCNLKGLRVFRQ-UHFFFAOYSA-N 342.237 1.764 0 40 EDAB CN(CC(=O)N1CCS/C1=C/c1cccs1)S(C)(=O)=O 225235350 YXAGDFHLQAMUMI-XYOKQWHBSA-N 332.472 1.513 0 40 EDAB O=C(CCn1ncc2c(Cl)cccc21)N[C@H]1CCS(=O)(=O)C1 40759508 RHTABOYXAPGMGU-JTQLQIEISA-N 341.820 1.383 0 40 EDAB O=C(NCc1ccccc1CN1CCC[C@H]1CO)Nc1ccon1 193734022 YLDAPHYIFXLPQF-HNNXBMFYSA-N 330.388 1.953 0 40 EDAB COCCN1CCCN(C(=O)[C@@H]2CCc3cccc(O)c32)CC1=O 569717643 URFAEGVQNJKZDR-CQSZACIVSA-N 332.400 1.129 0 40 EDAB CCn1ccc(C(=O)NCc2nnc3cc(C(F)(F)F)ccn23)n1 225807983 BFUYVRBBURZZBB-UHFFFAOYSA-N 338.293 1.895 0 40 EDAB CN1CCN(C(=O)C(C)(C)Oc2ccn(-c3ccccc3)n2)CC1 227159283 CYELYFUYBALBGW-UHFFFAOYSA-N 328.416 1.804 0 40 EDAB O=C(Nc1nncs1)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223332692 WYZXDELCPYMWIE-JTQLQIEISA-N 346.368 1.397 0 40 EDAB CNC(=O)c1ccc(N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)nn1 225600561 LPJNYXRZZWQQJB-XJKSGUPXSA-N 347.369 1.972 0 40 EDAB CS(=O)(=O)NCCN1CCC(C(=O)c2ccc(F)cc2)CC1 192467519 SRIJLPFNKCLAAZ-UHFFFAOYSA-N 328.409 1.270 0 40 EDAB Fc1cnc(N2CCOC[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 96229198 JBYBMKFPUXQHRZ-QGZVFWFLSA-N 344.394 1.529 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2cccnc2)C(=O)N3)no1 96199474 MAAABRUEPZXCBP-AWEZNQCLSA-N 340.383 1.657 0 40 EDAB O=C(O)Cn1cc(CCN2CC[C@]3(CCc4ccccc4O3)C2)nn1 582015020 XFGDJHJYNMCCFD-GOSISDBHSA-N 342.399 1.375 0 40 EDAB COC[C@@H](C)S(=O)(=O)NC1CCN(Cc2ccccc2F)CC1 96410368 RVQGSWCXZKSYHJ-CYBMUJFWSA-N 344.452 1.744 0 40 EDAB O=C(Cc1ccccn1)NC[C@@H]1OCCc2cn(CC3CC3)nc21 96044367 ZOQWGTIAXTXSDT-INIZCTEOSA-N 326.400 1.661 0 40 EDAB C[C@@H]1CO[C@@H](CO)CN1C(=O)C1(C)CCN(Cc2ccccc2)CC1 97103161 VNWLDTMLQDKNND-SJLPKXTDSA-N 346.471 1.897 0 40 EDAB Cn1c(-c2ccccc2F)nnc1S(=O)(=O)C[C@@H]1CCCCO1 96474345 BLUDDTMSSZFAEK-NSHDSACASA-N 339.392 1.964 0 40 EDAB Fc1cnc(N2C[C@@H](OCCCn3cccn3)[C@H]3OCCC[C@H]32)nc1 96042570 OTQRHBYVTRPCRG-OAGGEKHMSA-N 347.394 1.655 0 40 EDAB C[C@@H]1CN(C[C@@H]2CCOC2)C[C@@]12CCN(Cc1cccnc1)C2=O 96201730 FHDVCRWSNLYUQN-AYBZRNKSSA-N 329.444 1.789 0 40 EDAB O=S(=O)(c1ccccc1)N1CC[C@H]2[C@H]1CCN2c1nncs1 96064086 FOPPMZCUJPOCBP-QWHCGFSZSA-N 336.442 1.580 0 40 EDAB C[C@H]1CN(C(=O)Cn2nnnc2CCCc2ccccc2)C[C@@H](C)O1 96456775 STWJPZQPBRQERB-GASCZTMLSA-N 343.431 1.484 0 40 EDAB COc1cncc(N2CCN(c3cc(C)nc(C4CC4)n3)CC2)n1 96407645 NRWLKKSMSLLMQW-UHFFFAOYSA-N 326.404 1.788 0 40 EDAB Cc1n[nH]c(C[C@H]2OC[C@H]3CN(C(=O)Cc4cccs4)CC[C@H]32)n1 96216100 QTZACZOUIBXJLT-BPLDGKMQSA-N 346.456 1.823 0 40 EDAB O=C(NCCN1CCCC[C@H]1CO)c1cc(-c2ccc(O)cc2)[nH]n1 95380038 UQSFDLJCPDIRCU-AWEZNQCLSA-N 344.415 1.359 0 40 EDAB CN(C)c1cc(N2CC3(C[C@H](Oc4ccccn4)CCO3)C2)ncn1 248134266 REXTXNAGJZRBQZ-CQSZACIVSA-N 341.415 1.754 0 40 EDAB CNc1cnc(C[C@@H]2CCCN(C(=O)Cn3cccn3)CC2)cn1 257310109 UDSIEYJJLVHASZ-CQSZACIVSA-N 328.420 1.586 0 40 EDAB Cc1cc(-c2cnc([C@@H]3CCCN3S(=O)(=O)N(C)C)cn2)[nH]n1 257232338 GKMBOOHLBMXMCL-AWEZNQCLSA-N 336.421 1.118 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257262159 LKJKUWKTGRHHFA-MRXNPFEDSA-N 343.431 1.155 0 40 EDAB Cc1ccnc([C@H]2CCN(C(=O)c3ccc(-n4ccnc4)nc3)C2)n1 257327230 XAOJUYCSGGXYCU-HNNXBMFYSA-N 334.383 1.995 0 40 EDAB O=C(CC1(O)CCCCC1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257309676 UBXHOUBEWIWFLB-HNNXBMFYSA-N 349.431 1.428 0 40 EDAB COCCNC(=O)c1ncccc1-c1cccc(CNC(C)=O)c1 257258536 KUKRVJKJDJCOMB-UHFFFAOYSA-N 327.384 1.761 0 40 EDAB COC(=O)c1cnn(C)c1NC(=O)N[C@@H](CCCO)c1ccccc1 585086462 HXEDVYWNXXAIKW-AWEZNQCLSA-N 346.387 1.842 0 40 EDAB CC(C)(C)c1cc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)[nH]n1 257248159 JCJZCPKMXXMHMV-HUUCEWRRSA-N 329.400 1.972 0 40 EDAB CCn1ncc2ccc(NC(=O)c3ncoc3COCC(=O)O)cc21 585135138 ZGQGXXYLGLILFO-UHFFFAOYSA-N 344.327 1.898 0 40 EDAB CN1C(=O)CO[C@@H]2CCN(C(=O)Cc3c(F)cccc3Cl)C[C@@H]21 257277668 NYXFCAZCEXDZOK-UONOGXRCSA-N 340.782 1.480 0 40 EDAB CCCCn1cc(CN2CCN(C(C)=O)C[C@H](C(=O)NC)C2)c(C)n1 257339791 ZDERQNWWWZQTRA-QGZVFWFLSA-N 349.479 1.018 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ccc(C)nc3)CC2)C[C@@]1(C)CO 257254575 KDSNYCDZXJTSDA-SFHVURJKSA-N 345.443 1.616 0 40 EDAB C[C@@]1(NC(=O)c2ccc(CS(C)(=O)=O)o2)CCCC[C@@H]1C(=O)O 262726354 GRGYFAWKILCLTM-IAQYHMDHSA-N 343.401 1.588 0 40 EDAB CCOc1nc(C)ccc1C(=O)N1CCC[C@H](Cn2cncn2)C1 276698261 WLNHQONKGXGTFI-AWEZNQCLSA-N 329.404 1.933 0 40 EDAB CN(Cc1cscn1)c1cc(S(=O)(=O)N2CCCC2)ccn1 279528898 UHBCIDRMKFLGIL-UHFFFAOYSA-N 338.458 1.959 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)N3CC[C@H]4[C@H]3CCCN4C)cc12 1615572409 SQTJUPXKMMGLHJ-LSDHHAIUSA-N 328.420 1.977 0 40 EDAB CCN1CC[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C(F)(F)C1 1615615401 QMHVXNGXFKAHPD-VIFPVBQESA-N 340.296 1.898 0 40 EDAB CC1(C)CCN(C(=O)[C@]2(C3CCCC3)CCNC2=O)CC[S@]1=O 599992874 JVFLLWMCTYGBDB-GAJHUEQPSA-N 340.489 1.443 0 40 EDAB N[C@@H]1CC2(CCN(C(=O)[C@H]3CSCN3)CC2)Oc2ccccc21 1616039598 RTIDQDFPNRJANB-ZIAGYGMSSA-N 333.457 1.493 0 40 EDAB COc1ccc2c(CC(=O)N3CCC(O)(CCN)CC3)coc2c1 1616036631 OXTUCLIADVATCQ-UHFFFAOYSA-N 332.400 1.686 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(-n2cncn2)ncn1 96025257 QRJSYPGMXHRFFE-BONVTDFDSA-N 338.327 1.224 0 40 EDAB Cn1cc(/C=C/C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)cn1 585289002 BWCFJCCAIXKXGF-QDIARDEESA-N 342.399 1.306 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(CC3(O)CCOCC3)CCO2)c1 585278895 WPLPUWIOIIUIIP-IBGZPJMESA-N 335.444 1.142 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1CO[C@H]2CN(C(=O)c3ccccc3)C[C@@H]12 585108621 YKOODFZQCBIPTJ-ZNMIVQPWSA-N 338.367 1.202 0 40 EDAB Cc1ccc(CC(=O)N2C[C@H]3ON=C(C(=O)N4CCCC4)[C@H]3C2)cc1 585109019 ODRMLZDJQHVRSR-JKSUJKDBSA-N 341.411 1.373 0 40 EDAB O=C(NCC1(OCCO)CCSCC1)c1ccc2c(c1)OCO2 828765350 JCHBVKXBEHEKPN-UHFFFAOYSA-N 339.413 1.420 0 40 EDAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NCc2ccccc2Cl)[C@H]2CO[C@@H]1O2 952845020 YYIAMLUHYQTAQO-OVYGPGRDSA-N 349.818 1.660 0 40 EDAB biogenic,in-vitro O=C1c2ccccc2S(=O)(=O)N1Cc1cn(-c2ccccc2)nn1 726742126 HCDADLSMQLWIOC-UHFFFAOYSA-N 340.364 1.612 0 40 EDAB O=C(C1CC1)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615153741 DWZQQTBGPUXUFZ-GOSISDBHSA-N 332.375 1.960 0 40 EDAB O=S(=O)(NCc1noc(-c2cccs2)n1)[C@H]1CCC[C@@H]1O 1615623274 VHNBLXICHAVMLA-WPRPVWTQSA-N 329.403 1.131 0 40 EDAB COc1ccc2cc(C)c3nn(CC(=O)NCC4CC4)c(=O)n3c2c1 12181886 LKMLMJRERMBKGM-UHFFFAOYSA-N 340.383 1.492 0 40 EDAB CC(=O)[C@@H](SC(=S)N1CCOCC1)C(=O)Nc1ccccc1 16850280 TYPSFKXAQOKTMA-CYBMUJFWSA-N 338.454 1.933 0 40 EDAB CCC(=O)N1CCc2nc(C3CCN(C(C)=O)CC3)nc(NC)c2C1 19711078 FAGLPIVKRPSJEK-UHFFFAOYSA-N 345.447 1.539 0 40 EDAB Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)CC2(C(F)(F)F)CC2)cn1 589849900 PABGSMLVXHMKBD-BGJPBQGDSA-N 349.378 1.785 0 40 EDAB CCc1ncnc(N2C[C@@H]3CN(Cc4noc(C)n4)C[C@@H]3C2)c1F 1888856818 IUHPQKQIYAIMRW-TXEJJXNPSA-N 332.383 1.438 0 40 EDAB Cc1cc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)nc(C)n1 1888930572 WUMMKOJUQFDYHD-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB O=C(c1cc2ccccc2oc1=O)N1CCCN([C@@H]2CCOC2)CC1 1888941632 KOASJRDLFHLLTL-OAHLLOKOSA-N 342.395 1.730 0 40 EDAB CC(C)N1C[C@]2(CCN(C(=O)CCc3cccnc3)C2)COCC1=O 2037985308 FFIZHZJLQHMGCS-LJQANCHMSA-N 345.443 1.500 0 40 EDAB CCc1ncnc(N2C[C@H]3CN(c4cc(C)ncn4)C[C@@H]3C2)c1F 2087121388 GFZSUHSSTIBHIY-CHWSQXEVSA-N 328.395 1.849 0 40 EDAB COCCN1CCOCC2(CCN(C(=O)C3(F)CCC3)CC2)C1 1565549590 UZMRVBJHWYYZKF-UHFFFAOYSA-N 328.428 1.466 0 40 EDAB CC(C)Cn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 180670 HYBRYOODUNJRFN-UHFFFAOYSA-N 327.388 1.691 0 40 EDAB Cc1cccn2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)nc12 8604677 WTGAOPCHVVYVBB-UHFFFAOYSA-N 327.315 1.778 0 40 EDAB CC(C)NC(=O)C(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 17113409 VXXYEHBABCXYCR-MRXNPFEDSA-N 333.432 1.091 0 40 EDAB Cc1noc(C)c1C(=O)N[C@H]1CCc2onc(C(=O)NC(C)C)c2C1 2055739097 KXJSCJKFKPPLKP-NSHDSACASA-N 346.387 1.705 0 40 EDAB CC(C)NC(=O)c1noc2c1C[C@H](NC(=O)c1ccncc1)CC2 2055739451 ZPNWBJXSZXULIW-GFCCVEGCSA-N 328.372 1.495 0 40 EDAB COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(C)=O)C3)c2N)cc1 19016431 OBPMCLANEQXTNJ-LBPRGKRZSA-N 328.372 1.514 0 40 EDAB COC(=O)[C@@H](CCSC)NC(=O)CN1Cc2ccccc2C1=O 20763183 UVZNGHDHRFHNER-CYBMUJFWSA-N 336.413 1.053 0 40 EDAB biogenic CN1N=C(C(=O)NC2CCN(Cc3ccccc3)CC2)CCC1=O 31333843 RGNBKSNBBTUYEN-UHFFFAOYSA-N 328.416 1.375 0 40 EDAB O=C(c1cnccn1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 40511051 DSXHZLXBNGRRSP-UHFFFAOYSA-N 336.351 1.821 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)COCC(F)(F)F 40544344 ZELISUYUHDTDKD-UHFFFAOYSA-N 325.308 1.916 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 40554178 XTBBBCOHDWOZCN-CABCVRRESA-N 338.429 1.378 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(-c2nccs2)cc1 17591028 RGFJVSUANKRPFC-UHFFFAOYSA-N 328.353 1.299 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1noc(C2CC2)n1 72299495 JDAWNBZPABACMD-WDEREUQCSA-N 325.390 1.045 0 40 EDAB O=C(NC1CC1)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 11998550 PVLXONGRTNNGLH-AWEZNQCLSA-N 345.424 1.802 0 40 EDAB Fc1ccc(CN2CCC(Nc3ccc4nnnn4n3)CC2)cc1F 52473607 NMAOFEALRAOCTP-UHFFFAOYSA-N 345.357 1.874 0 40 EDAB CCOc1ccccc1NC(=O)Cn1c(C)cc(C)c(C(N)=O)c1=O 32859769 OPUWHEZHXVBTOH-UHFFFAOYSA-N 343.383 1.601 0 40 EDAB Cn1ccc(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1=O 69780078 XLNVGJZLFXAOHR-ZDUSSCGKSA-N 335.404 1.515 0 40 EDAB Cc1cc(C)n2cc(CN3CCO[C@H](c4nc(C)n[nH]4)C3)nc2n1 76047942 VBLDEDDAIDYESC-AWEZNQCLSA-N 327.392 1.346 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)CCc3ccccn3)CCO2)n1 76045826 QOVVHHLRIHVTLH-AWEZNQCLSA-N 329.404 1.685 0 40 EDAB C[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)C[C@@H]1N(C)C 78896437 PCELKNWDPSFLOX-WBMJQRKESA-N 333.407 1.975 0 40 EDAB Cc1cc(-c2nnn(CC(=O)Nc3c(C)n[nH]c3C)n2)ccc1F 79021220 QYVMYNRGBRBPLT-UHFFFAOYSA-N 329.339 1.766 0 40 EDAB O=C1[C@H](N2CCS(=O)CC2)CCN1c1ccc(C(F)(F)F)cc1 79097340 GQLFMOXYQAUFHY-CYBMUJFWSA-N 346.374 1.875 0 40 EDAB CC1CCN(CCCNC(=O)c2cnc(-n3cccn3)cn2)CC1 79110249 QQTICNOSWQVXTL-UHFFFAOYSA-N 328.420 1.514 0 40 EDAB CN1CCO[C@@H]2CN(CC(=O)N[C@@H](c3ccccc3)C3CC3)C[C@@H]21 79109526 MZMNDDDNZPSMNZ-SCTDSRPQSA-N 329.444 1.269 0 40 EDAB C[C@@H]1CCCCN1CCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 60524178 LDMCKVMPSOBYEB-CABCVRRESA-N 333.432 1.619 0 40 EDAB CCCOC[C@H]1C[C@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 3999408 UVBVHSSYOFXGJL-NKZPBKNFSA-N 340.401 1.616 0 40 EDAB biogenic NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1cnn(-c2ccccc2)c1 32907241 DNJJEUBDOOOXBU-SFHVURJKSA-N 347.378 1.606 0 40 EDAB CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 6856963 BUSZBFMTWKKPPD-UHFFFAOYSA-N 327.431 1.304 0 40 EDAB C[C@H](O)[C@@H]1CCCCN1Cc1nnc2n(C)c(=O)c3ccccc3n12 69703604 PSQYAMYGKBQIGJ-JSGCOSHPSA-N 341.415 1.317 0 40 EDAB Cc1occc1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O 7850669 BCYHBTFWHFSGBF-UHFFFAOYSA-N 335.337 1.590 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1 69918046 ZYFOHKSVFHSYIL-OALUTQOASA-N 339.439 1.564 0 40 EDAB O=C(OCN1C(=O)c2ccccc2C1=O)c1cccc(-n2cnnn2)c1 8315594 XMFGYOMEKDNKJW-UHFFFAOYSA-N 349.306 1.073 0 40 EDAB Cc1cccc(OC[C@H](C)NC(=O)NC[C@H]2CN(C)CCN2C)c1 72277838 YTWDFSXCSBQREI-HOTGVXAUSA-N 334.464 1.307 0 40 EDAB C[C@H](NC(=O)N(C)Cc1ccc2c(c1)OCCO2)c1nncn1C 46962729 DIGCULPEIULMRW-NSHDSACASA-N 331.376 1.489 0 40 EDAB COc1ncccc1NC(=O)NCc1cccc(S(N)(=O)=O)c1 47032802 LFJUFXVLBXEYFS-UHFFFAOYSA-N 336.373 1.059 0 40 EDAB CCCS(=O)(=O)N1CCC[C@]2(C[C@@H](Nc3nccs3)CO2)C1 107787765 QYWDESXAOMTENQ-OCCSQVGLSA-N 345.490 1.918 0 40 EDAB COc1ccnc(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)c1 104518118 NJPOKSYGOCXOTF-UHFFFAOYSA-N 343.431 1.332 0 40 EDAB Cc1nc(COc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)no1 54671476 XFHPDOHZWLPLIW-UHFFFAOYSA-N 344.371 1.213 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 42871771 KWNYCGSCWVAZJL-ZFWWWQNUSA-N 338.429 1.729 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24536584 ZJBIWHGNBDUIAK-ZDUSSCGKSA-N 339.351 1.480 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3cncc(F)c3)CC2)C1 108529228 JDGMLOICKLAOPT-UHFFFAOYSA-N 341.408 1.155 0 40 EDAB Cc1ccc(Br)cc1C(=O)N[C@H](C)CS(C)(=O)=O 72295193 ZWCGUPHFJLGJIT-SECBINFHSA-N 334.235 1.920 0 40 EDAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnccn1 12527419 ZEQJZRMNZGHDAT-UHFFFAOYSA-N 349.416 1.411 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O 3249709 CWKBMGHRWNHSFB-UHFFFAOYSA-N 346.387 1.123 0 40 EDAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)Cn1cccnc1=O 57253004 QEBWHVRTQJIOOH-CYBMUJFWSA-N 329.404 1.389 0 40 EDAB CCCCn1c(=O)c2sccc2n(CC(=O)N[C@@H](C)CC)c1=O 57427147 GKLLGRMQNJNKBO-NSHDSACASA-N 337.445 1.940 0 40 EDAB Cn1ncc2c(NCCNC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)ncnc21 108457132 XFXSLBQDZUITQX-AVGNSLFASA-N 328.420 1.718 0 40 EDAB CCN1CCN(c2nc(COC)c(Cc3ccccc3)c(=O)[nH]2)CC1 22448572 XTRLJYHHMPMOMR-UHFFFAOYSA-N 342.443 1.649 0 40 EDAB Cc1nc(/C=C/C(=O)NCCC(=O)N2C[C@@H](C)O[C@H](C)C2)cs1 58225994 DJYFGICLACBEDK-GKUNOOHESA-N 337.445 1.607 0 40 EDAB C/C=C\C(=O)N1CCN(Cc2nnnn2-c2ccc(C)cc2)CC1 23134610 BWBDPTITTFGUMM-ARJAWSKDSA-N 326.404 1.191 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)cn2)n1 44918611 UAFVHMJCNPEJMR-ZDUSSCGKSA-N 348.428 1.049 0 40 EDAB Cc1onc2c(=O)n(CC(=O)NCC3CC3)nc(-c3ccccc3)c12 58356229 XQVNWZSVOXMKBG-UHFFFAOYSA-N 338.367 1.886 0 40 EDAB CO[C@H](C(=O)N1CCN(C(=O)CC(F)(F)F)CC1)c1ccccc1 58392413 FEXDTZZTLYPACY-AWEZNQCLSA-N 344.333 1.997 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1OC 28276362 GAGCUVWAXZATAX-CQSZACIVSA-N 340.445 1.516 0 40 EDAB COC(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1 10794823 AABMPMRRVSPALB-UHFFFAOYSA-N 343.335 1.897 0 40 EDAB CCCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 113934274 FJBPSXHKZGPBBQ-UHFFFAOYSA-N 344.433 1.386 0 40 EDAB Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CCS(=O)(=O)C2)cc1F 11010622 OMNBKZVOTJRFEX-QWRGUYRKSA-N 343.376 1.439 0 40 EDAB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ncccn1 11365182 KCBDCNRZNXJTFD-LLVKDONJSA-N 341.400 1.880 0 40 EDAB C[C@@H]1C[C@H](Sc2nc3ccccc3c(=O)n2CCCO)C(=O)O1 12771224 REVFRDWUKHXSIG-MFKMUULPSA-N 334.397 1.575 0 40 EDAB COc1ccc([C@@H]2CCCN2CCCN2C(=O)CNC2=O)c(OC)c1 69813899 ACIIHNZFJVUCOR-HNNXBMFYSA-N 347.415 1.783 0 40 EDAB CC(C)(C)c1nc(CC(=O)NCC2(C(N)=O)CCOCC2)cs1 69897142 JOGXBXXYLIYBTH-UHFFFAOYSA-N 339.461 1.381 0 40 EDAB COc1ccccc1CN(C)C(=O)CN1CCCC[C@H]1CC(N)=O 69814352 AKRUBHHGZHJKGB-HNNXBMFYSA-N 333.432 1.384 0 40 EDAB CCN1CCC(CNC(=O)CNC(=O)Cc2cccc(F)c2)CC1 48326005 YMMNYEVPNIMIQE-UHFFFAOYSA-N 335.423 1.333 0 40 EDAB COCCCNC(=O)N1CCCN(C(=O)CC2CCCC2)CC1 69894430 WNQZXBKSJPBCQG-UHFFFAOYSA-N 325.453 1.847 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 13001422 VZLMCACPMNLLLD-MJVIPROJSA-N 326.418 1.594 0 40 EDAB CCOC(=O)C1=C(CSc2nnc3ccccn23)NC(=O)N[C@H]1C 6170986 SSXYJIROOCNWIL-VIFPVBQESA-N 347.400 1.340 0 40 EDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cnccn1 5170093 BZDGABQVGSFBMO-NSHDSACASA-N 340.339 1.397 0 40 EDAB Cc1ccc(C(=O)NCc2ccn(-c3ccccc3F)n2)c(=O)[nH]1 65459454 YISRIGAGWDLKFS-UHFFFAOYSA-N 326.331 1.938 0 40 EDAB CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(N(C)C)nc1 65503785 RZYHLUZLJYWILM-ZDUSSCGKSA-N 336.461 1.435 0 40 EDAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccnc1O 14197752 AJXFGJHTJQBMLG-UHFFFAOYSA-N 339.273 1.915 0 40 EDAB Cn1cc(CC(=O)N2CCN(c3cccnn3)CC2)c2ccccc21 65607013 JYPQKADFJHVONP-UHFFFAOYSA-N 335.411 1.860 0 40 EDAB O=S1(=O)C[C@H]2NC(=S)N(c3cccc(Br)c3)[C@@H]2C1 6673626 BKUSPAWVPHUXGK-NXEZZACHSA-N 347.259 1.309 0 40 EDAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCCC2)C1=O 6607615 AVBVXZIERPODFO-LJQANCHMSA-N 341.411 1.565 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059778 WTFJQRMSNPBKHH-ZDUSSCGKSA-N 337.387 1.281 0 40 EDAB Cn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1C(F)(F)F 6789457 CLOMAAUPACLSMF-UHFFFAOYSA-N 339.343 1.550 0 40 EDAB CCCC(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 5782041 RRKQFXCEPOYXEE-NSHDSACASA-N 342.417 1.607 0 40 EDAB CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccccn2)c1 67043464 NRBOSJQLAHRGKT-UHFFFAOYSA-N 348.384 1.664 0 40 EDAB Nc1nc(N)nc(CSc2nnc(NCc3ccccc3)s2)n1 6991723 PVYFTISLSBDEKG-UHFFFAOYSA-N 346.445 1.792 0 40 EDAB C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ccc2c(c1)CCC2 9216638 NBRGXXFRTKERRV-SECBINFHSA-N 330.413 1.960 0 40 EDAB CCCCS(=O)(=O)NCC(=O)N[C@@H]1CCc2c(F)cccc21 90012153 XGRWKTBKFPIBPW-CQSZACIVSA-N 328.409 1.649 0 40 EDAB Cn1nc(CC(=O)Oc2ccc3c(c2)OCO3)c2ccccc2c1=O 7277228 HDSZFIIHHCOVBF-UHFFFAOYSA-N 338.319 1.810 0 40 EDAB CCCCn1c(SCc2cc(=O)n3cc(C)ccc3n2)n[nH]c1=O 7344967 AHVBYAPNMWDCPX-UHFFFAOYSA-N 345.428 1.980 0 40 EDAB Cc1ccc(C(=O)OCC(=O)N2CCN(c3ncccn3)CC2)cc1 7895803 RUOXWFYXWJYBGI-UHFFFAOYSA-N 340.383 1.291 0 40 EDAB CCOc1cccc(C(=O)N[C@@H]2CCCc3cn(CC(N)=O)nc32)c1 96002858 UIGVYAPXVVEOIO-OAHLLOKOSA-N 342.399 1.575 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 8156124 MOJKHLZGZIXNJK-QGZVFWFLSA-N 333.363 1.205 0 40 EDAB Cc1ccoc1-c1nnc(CN(C)CC2CCN(CCO)CC2)o1 70040198 ZQHNDNYOWBNAFU-UHFFFAOYSA-N 334.420 1.774 0 40 EDAB COCCN(C)C[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1F 69322873 PMXMCBAZNPFKPO-GFCCVEGCSA-N 348.415 1.696 0 40 EDAB COCc1ccccc1NC(=O)C(=O)NCc1cn2c(n1)CCCC2 69442864 SGGKYPQEIGOMBE-UHFFFAOYSA-N 342.399 1.621 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N(Cc1ccsc1)c1ccccc1 69532337 RKLCQJUSXPOAAI-UHFFFAOYSA-N 345.424 1.534 0 40 EDAB Cc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)c(O)c1 69563835 CUYSXBNPIGLDSS-UHFFFAOYSA-N 330.388 1.482 0 40 EDAB C[C@@H](Sc1nc(Cc2cccs2)n[nH]1)C(=O)N1CCOCC1 69527694 PWJQYENHHJONON-SNVBAGLBSA-N 338.458 1.796 0 40 EDAB CN(CCN1CCCC1)C(=O)[C@@H]1CCCCN1Cc1ccncc1 71883696 XJRHEDWNBPTBMT-SFHVURJKSA-N 330.476 1.990 0 40 EDAB CCOC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)CC)ccc1Cl 71893689 HZVGXJNCCQMPNL-VIFPVBQESA-N 347.820 1.815 0 40 EDAB O=C(CNC[C@H]1CCCN1c1cccnn1)NCCc1cccs1 71859858 IENXLHLQHPTKBY-CQSZACIVSA-N 345.472 1.455 0 40 EDAB Cc1nccc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 71863708 OXBSTNMXNDVOMN-QGZVFWFLSA-N 326.400 1.276 0 40 EDAB CS(=O)(=O)CCOCCNC(=O)c1cc2c(cc1O)CCCC2 72304229 YZRSQRRADBTHDN-UHFFFAOYSA-N 341.429 1.062 0 40 EDAB CCCc1ccc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 71908946 SOXHUFBTZIUFPO-LJQANCHMSA-N 345.487 1.775 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OC)nc2)c1C 9833586 ATBMOPTWDSCWAZ-UHFFFAOYSA-N 346.339 1.861 0 40 EDAB C[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)[C@@H](C)n1cccn1 84139594 KLGAKIAUADDGSV-QWHCGFSZSA-N 327.388 1.408 0 40 EDAB Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc2cn[nH]c2c1 84580624 CEAPIJQGSYFKKJ-UHFFFAOYSA-N 348.384 1.967 0 40 EDAB Cc1cc(C(=O)CN2CCC[C@H]2CS(N)(=O)=O)c(C)n1C1CC1 95431969 ZXFKBAHFZPKYLJ-AWEZNQCLSA-N 339.461 1.375 0 40 EDAB CN1CCN(C(=O)c2cccc(Nc3cnn(C)c3)c2)C(C)(C)C1=O 95445446 BDPPUYAEIJTBLN-UHFFFAOYSA-N 341.415 1.857 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCN2C1=O)Nc1ccnn1C1CCCC1 85260338 XVNRSEVOSXFEEN-LBPRGKRZSA-N 331.376 1.363 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 95982599 UYHGJQCGQUDPLQ-LBPRGKRZSA-N 340.474 1.652 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1nn(-c2ccccc2)c2c1CCC2 9954910 BIDJDRWNAZCJLS-LBPRGKRZSA-N 345.424 1.278 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2nccn2C)CC1 89651238 QHGHUATVZQVZRQ-UHFFFAOYSA-N 338.408 1.379 0 40 EDAB COCCc1nnc(SCCn2c(C)nc3ccccc32)n1N 89729998 SQTYCPAEPNBHFG-UHFFFAOYSA-N 332.433 1.631 0 40 EDAB Cn1cc(C(=O)NCCOc2ccc(C(F)(F)F)cn2)ccc1=O 89755088 IYEBMUJSMOGQFA-UHFFFAOYSA-N 341.289 1.608 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)NCC2(c3ccccc3OC)CC2)CCO1 75582756 VKOJLFUAODWGEA-HNNXBMFYSA-N 348.399 1.310 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)CNc2ccccc2OC(F)F)C1 75572110 QERWXUBBHABZQZ-JTQLQIEISA-N 327.331 1.424 0 40 EDAB COc1ccccc1NC(=O)C(=O)N1N=C(C)C[C@]1(O)C(F)(F)F 409354047 XEWQUTLQUJDICP-ZDUSSCGKSA-N 345.277 1.493 0 40 EDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C1CCCCC1 65402212 NFQDAKZTSKWOMI-HNNXBMFYSA-N 349.475 1.590 0 40 EDAB Cc1ccc(CNC(=O)Cn2cnc3c(C)n(C)nc3c2=O)cc1 32647323 XKMWDJNYZTVQCC-UHFFFAOYSA-N 325.372 1.063 0 40 EDAB CC(=O)NC[C@@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 1622 TYZROVQLWOKYKF-CYBMUJFWSA-N 337.351 1.124 0 40 EDAB biogenic,in-vitro CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)COC)cc1 408596881 TWHJWNIJUGATEF-CYBMUJFWSA-N 342.461 1.459 0 40 EDAB CN1CCN(C(=O)c2ccc3nn[nH]c3n2)C[C@H]1Cc1ccccc1 516959091 RLANUHBKRWBBLI-CQSZACIVSA-N 336.399 1.352 0 40 EDAB CNC(=O)C1CCN(C(=O)c2cc(-c3ccccc3OC)on2)CC1 30035973 KKKPNYZGCLSIBD-UHFFFAOYSA-N 343.383 1.948 0 40 EDAB O=C(O)c1ccc(OCCNC(=O)c2cnn3ccccc23)cc1 537483402 UZAHRYONLGGPLY-UHFFFAOYSA-N 325.324 1.841 0 40 EDAB COc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCO3)cc1OC 72227564 XIUVYKPRAGCVGJ-IAGOWNOFSA-N 342.351 1.848 0 40 EDAB Cc1cncc([C@@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)n1 72369420 VNPOGBMCMVUHRX-CYBMUJFWSA-N 335.433 1.395 0 40 EDAB CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 78611461 QEUCMVUAVNIVEI-QWHCGFSZSA-N 328.409 1.308 0 40 EDAB CC(C)c1ccc(C(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)nc1 565902019 IKIGYPKUIXNGKH-ZDUSSCGKSA-N 343.387 1.972 0 40 EDAB NC(=O)c1ccc(-c2noc(-c3[nH]nnc3-c3ccccc3)n2)cn1 562901599 OQTONUONQXAUOR-UHFFFAOYSA-N 333.311 1.683 0 40 EDAB COc1cnc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1O 72403358 RKFJPXWYVYYPKM-UHFFFAOYSA-N 325.328 1.688 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc3ccccn3c1)CC2 73759140 OYHCIXYCYSZQCT-UHFFFAOYSA-N 341.392 1.790 0 40 EDAB CCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 47080981 BRZKNOOASBRZQW-LLVKDONJSA-N 344.433 1.239 0 40 EDAB CCN(CC)C(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 222815723 NIXVFTQMKMTHQJ-JTQLQIEISA-N 334.388 1.988 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1 85296308 AJYRMPUVWVGQQS-AWEZNQCLSA-N 342.436 1.477 0 40 EDAB COC(=O)Cc1cccc(-c2nn3c(CC(=O)OC)nnc3s2)c1 41127000 ABGZHOUNFBYEGL-UHFFFAOYSA-N 346.368 1.284 0 40 EDAB CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1Br 42646287 HIJOGJAGGFPEHP-VIFPVBQESA-N 329.194 1.583 0 40 EDAB Cc1cc(NC(=O)c2c(C)noc2C)n([C@H]2CCS(=O)(=O)C2)n1 43964315 SAZMKNGWPUYUCP-NSHDSACASA-N 338.389 1.408 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 223296904 WJPVGLMOQLIIGZ-UHFFFAOYSA-N 342.323 1.630 0 40 EDAB Cc1ccc(C(=O)NC2CCN(C(=O)Cn3ccnc3C)CC2)s1 573206363 QHPJZEMZIJFLRI-UHFFFAOYSA-N 346.456 1.982 0 40 EDAB Cc1cc(CN2CCN([C@H](C)C(=O)Nc3nccs3)CC2)no1 42505149 SGKVBAJWLGONRI-GFCCVEGCSA-N 335.433 1.584 0 40 EDAB c1cc(CN2CCC[C@@]3(COCCN(Cc4c[nH]nn4)C3)C2)cs1 96049497 MEWCXELGVFUVEL-QGZVFWFLSA-N 347.488 1.981 0 40 EDAB CN(C)C(=O)CCCn1ccc(NC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)n1 95403981 YULXVFCJGSYWMM-BETUJISGSA-N 333.436 1.871 0 40 EDAB COCCn1ccc(NC(=O)[C@H]2CCCCN2Cc2cccnc2)n1 96410080 VRJUASBPTOJJHI-MRXNPFEDSA-N 343.431 1.918 0 40 EDAB COC[C@H]1CN(S(=O)(=O)c2cccc(F)c2)Cc2nccn2C1 96187772 YIPQMVVCDQGAAW-GFCCVEGCSA-N 339.392 1.489 0 40 EDAB CN([C@@]1(CO)CCOC1)S(=O)(=O)c1cnc2ccsc2c1 583652124 YYXKDSJSVDSIKF-CYBMUJFWSA-N 328.415 1.068 0 40 EDAB CCc1nnc(C)cc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 583619516 AGDGROOUBAJEQN-WBVHZDCISA-N 339.399 1.444 0 40 EDAB COc1ncnc2c1CN(C[C@@H](O)COc1ccc(Cl)cc1)CC2 97202052 MCLHHFJIZRNLPB-CYBMUJFWSA-N 349.818 1.937 0 40 EDAB Cn1ccnc1CNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 96426399 ZABPASXAJSJQMQ-MRXNPFEDSA-N 332.379 1.249 0 40 EDAB CS[C@H]1CCC[C@@H](NC(=O)CN2CCN(c3ccccn3)CC2)C1 96436614 KNSDIIXIPJWMOH-CVEARBPZSA-N 348.516 1.994 0 40 EDAB NC(=O)CN1CCN(C(=O)C2(c3cccs3)CCCCC2)CC1 96414338 KWQCDJIZVMZYDV-UHFFFAOYSA-N 335.473 1.580 0 40 EDAB Cc1oncc1C(=O)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 96202257 SNTJWZKUNCEZSQ-SFHVURJKSA-N 342.399 1.747 0 40 EDAB Cc1cn2c(=O)c(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)cnc2s1 92880528 MQBRBZPOGYNXNF-QWHCGFSZSA-N 333.413 1.848 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 96159128 OYALXPUNTKSFSN-HNNXBMFYSA-N 344.411 1.448 0 40 EDAB Cn1cc(CN2CC[C@H]3C[C@H](C(=O)NCc4ccco4)O[C@@H]3C2)cn1 96042784 VXWJWLHGANIOAF-USXIJHARSA-N 344.415 1.309 0 40 EDAB CO[C@H]1CO[C@@]2(CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 96107208 QKTPASUMVNQQKG-KDOFPFPSSA-N 333.384 1.754 0 40 EDAB O=C1CCCN1c1ccc(Nc2ncnc3c2cnn3CCO)cc1 97200066 CFEKVWKBYKCHRX-UHFFFAOYSA-N 338.371 1.689 0 40 EDAB C[C@@H](C(=O)N[C@H](C)Cn1ccnc1)n1nnc(-c2ccccc2)n1 96430610 ZEMZDSFHGHQVCX-OLZOCXBDSA-N 325.376 1.303 0 40 EDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4c(C)noc4C)C[C@H]3O2)n[nH]1 96046218 OGVGDCDEMDUUAX-YNEHKIRRSA-N 331.376 1.710 0 40 EDAB CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@]2(COC)C(N)=S)cc1 242723204 YGJANHUYSDUOHE-UMVBOHGHSA-N 327.471 1.678 0 40 EDAB O=S(=O)(C1CC1)N1Cc2ccnn2C[C@@H](OCC2CCCC2)C1 247342090 SOHYFPFIIKCLJU-HNNXBMFYSA-N 339.461 1.766 0 40 EDAB C[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)CCS(=O)(=O)C1 249260944 IZGXKNDPJZYTOA-VDNDLQMASA-N 348.468 1.791 0 40 EDAB Cn1cnc(NC(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)n1 585090741 CDGGQUMCBKIASI-MEDUHNTESA-N 335.408 1.791 0 40 EDAB CC(C)Cc1cc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)n(C)n1 257320377 VWODOVAFVBMSBE-JFIYKMOQSA-N 348.491 1.678 0 40 EDAB O=C(CCN1CCN(CC(F)(F)CO)CC1)Nc1cccc(F)c1 585116118 HPSYCZKLDFMXJU-UHFFFAOYSA-N 345.365 1.400 0 40 EDAB CC(C)(C)NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 585129278 DONWJTPGTCTXNR-UHFFFAOYSA-N 340.445 1.360 0 40 EDAB CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)c2ccco2)C1 585128524 DORHDZVZLSMRDU-UHFFFAOYSA-N 349.387 1.231 0 40 EDAB Cc1c[nH]c([C@@H]2CN(C(=O)c3ccnc(N4CCCC4)c3)CCO2)n1 257205401 AYWFFAIFUDCXHN-HNNXBMFYSA-N 341.415 1.927 0 40 EDAB CN(C)[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)OC[C@]1(C)O 257235755 GZGYYBGNYSQVGZ-RDJZCZTQSA-N 333.432 1.158 0 40 EDAB COc1cccc(S(=O)(=O)N2CCO[C@@H](c3cnc(C)cn3)C2)c1 257261317 LGSHXPHMVPNGNP-MRXNPFEDSA-N 349.412 1.556 0 40 EDAB CN(C)Cc1ccnc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)n1 257275054 NNSVQROJSSPAFT-HNNXBMFYSA-N 347.444 1.459 0 40 EDAB CCn1nc(C2CC2)cc1C(=O)N1CC[C@@](O)(CN2CCCC2)C1 257235000 GVYRWCZJCNTASV-GOSISDBHSA-N 332.448 1.453 0 40 EDAB Cc1noc(C)c1-c1cc(CC2CCN(C(=O)CCN)CC2)ncn1 257310374 UEVHSVDITYYXPO-UHFFFAOYSA-N 343.431 1.878 0 40 EDAB Cc1noc(C)c1-c1cccc([C@@H]2CN(CC(=O)N(C)C)CCO2)n1 257258775 KVMILZMOKPRBNT-INIZCTEOSA-N 344.415 1.815 0 40 EDAB CNC(=O)[C@@]1(CCCc2cnccn2)CCCN(c2cnccn2)C1 257312372 UNPKSEDEIRCGRH-SFHVURJKSA-N 340.431 1.622 0 40 EDAB Cc1cnc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)cn1 257292071 QJVPLYIIHSEYNI-QGZVFWFLSA-N 341.415 1.768 0 40 EDAB O=C(NCC(=O)N1CCC(Oc2cnccn2)CC1)c1ccccc1 90677845 HHAHILUDIMMKAB-UHFFFAOYSA-N 340.383 1.276 0 40 EDAB Cn1nc(C2CC2)cc1CNC(=O)[C@@H]1NCCOc2ccccc21 1615548247 RKVOMQXDOVBGRJ-QGZVFWFLSA-N 326.400 1.637 0 40 EDAB O=S1(=O)C[C@@H](N(Cc2ccccc2)c2cccc(O)c2)[C@@H](O)C1 575422394 VMVGLCFBSZSLSZ-SJORKVTESA-N 333.409 1.557 0 40 EDAB Cc1cc(C)cc(OC[C@@]2(O)CN(CC3(O)CCCC3)CC[C@@H]2O)c1 585282388 IYIGUUQDHWNZKG-ICSRJNTNSA-N 349.471 1.785 0 40 EDAB Cc1ccccc1C(=O)N1C[C@H](N2CCOCC2)[C@@H]2OCCC[C@@H]21 585108408 DMOFSWJGJCEHKE-OKZBNKHCSA-N 330.428 1.699 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)c2nccn2C)CCO1 585277775 XTZDSIBVJKTMKM-SFHVURJKSA-N 329.400 1.175 0 40 EDAB CCn1cncc1CN1CCO[C@](CO)(Cc2cccc(F)c2)C1 585275413 DOHOCFBFVVZIPR-GOSISDBHSA-N 333.407 1.848 0 40 EDAB COCC(=O)NC[C@H]1CCn2nccc2CN1Cc1ccccc1F 585098151 UYODRELVZLAKNO-OAHLLOKOSA-N 346.406 1.559 0 40 EDAB CCN(CC)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O 585289932 NCTRPNYICFBXQQ-RDJZCZTQSA-N 340.851 1.620 0 40 EDAB CNC(=O)CC[C@]1(O)CCCN(C(=O)c2cccc(F)c2Cl)C1 585278163 LZVGDZVGRRGDFJ-MRXNPFEDSA-N 342.798 1.972 0 40 EDAB COc1ccc(CNC(=O)NCCC(=O)N2CCCCCC2)cn1 58355539 IBAZWQIWFRUAGX-UHFFFAOYSA-N 334.420 1.682 0 40 EDAB CN(CC(=O)N1CCCN(Cc2cscn2)CC1)c1cnccn1 69630000 TWGXTIXYWJRYNW-UHFFFAOYSA-N 346.460 1.104 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(c2ncnc3ccsc23)CC1 85468158 MFWXTVRGQYGMHE-NSHDSACASA-N 331.445 1.480 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2csc(Br)c2)CC1 69869966 AQGQHOAVWCAGDM-SECBINFHSA-N 333.251 1.649 0 40 EDAB CN(C)C1CCN(CCNC(=O)c2cnccc2C(F)(F)F)CC1 582734548 MCXOGEPFEMBZDW-UHFFFAOYSA-N 344.381 1.856 0 40 EDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H]1COC2(CCCC2)O1 5352373 HHRXLPKMDQZHKU-AWEZNQCLSA-N 336.363 1.244 0 40 EDAB CC(C)CCNC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 11591259 LGZDQZTXGJCWIH-GOSISDBHSA-N 345.399 1.379 0 40 EDAB CC[C@H](Cn1nc2c(C)cc3ccccc3n2c1=O)NC(=O)COC 12146486 CLPXUUSXFWBCED-CQSZACIVSA-N 342.399 1.499 0 40 EDAB COc1cc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc(OC)c1 18045690 PDOWBAIMMUEFNJ-UHFFFAOYSA-N 335.385 1.826 0 40 EDAB COCCCNC(=O)[C@H](C)n1nc(-c2cccs2)cc(N)c1=O 19080093 RJPDSNMDSXWCII-JTQLQIEISA-N 336.417 1.268 0 40 EDAB CN(C)CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 19590919 MUVZTYHJLSTZPM-MRXNPFEDSA-N 339.399 1.460 0 40 EDAB COc1ccc(CNC(=O)N2CC[C@H](n3ccnn3)C2)cc1OC 206933308 UJWNAQKKDLQUIU-ZDUSSCGKSA-N 331.376 1.452 0 40 EDAB C/C=C1\C=C(\C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23 5455678 UAYZNOYHWPOXJQ-GQOGWMAVSA-N 333.384 1.113 0 40 EDAB CC(=O)OC[C@@H](C(=O)O[C@@H]1C[C@@H]2N[C@H](C1)[C@H]1O[C@@H]21)c1ccccc1 575173171 DJAUMZBNIYQAMW-RGGMIXCSSA-N 331.368 1.147 0 40 EDAB in-vitro O=S(=O)(N[C@H]1CCN(C2CCOCC2)C1)c1ccccc1Cl 1256369254 HHGCLXBCAXPFHR-LBPRGKRZSA-N 344.864 1.872 0 40 EDAB Cn1nc(C(=O)N[C@@]2(C)CCN(CC[C@@H]3CCOC3)C2)cc1Cl 1046474879 XBFBRKPLDHKSJU-WBMJQRKESA-N 340.855 1.694 0 40 EDAB O=C(c1cocn1)N1CC[C@@H]2OCC(=O)N(c3ccccc3)C[C@H]2C1 2037983677 BYXDTDPRBQXZQP-CJNGLKHVSA-N 341.367 1.569 0 40 EDAB CC(C)(C)OC(=O)N[C@H]1C[C@@H]2COC[C@H](C1)[C@@H]2NCc1cc[nH]n1 584908889 OYQQQWUVWWOAAZ-IKARSPCKSA-N 336.436 1.818 0 40 EDAB CC1CC(C(=O)N2CCO[C@@]3(C2)C(=O)N(C)C[C@@H]3c2ccccc2)C1 1565553444 ZAWQJMFNZNMYGL-KIJVLWJYSA-N 342.439 1.886 0 40 EDAB CC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4374574 ROWDKJOTGBKPTM-NEPJUHHUSA-N 335.404 1.907 0 40 EDAB Cc1ccccc1CN[C@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055730221 NNFPBDNJBNHXDF-AWEZNQCLSA-N 349.456 1.679 0 40 EDAB NC(=O)c1cc([C@H]2CCCCN2C(=O)c2cnc(O)c(Cl)c2)n[nH]1 225556572 NOFYQXBPZAOSHZ-GFCCVEGCSA-N 349.778 1.630 0 40 EDAB O=C(CN1CC(c2nc(-c3cccnc3)no2)C1)Nc1cccnc1 49483729 PGKXUGBDXZSLSC-UHFFFAOYSA-N 336.355 1.565 0 40 EDAB COc1cccc(CC(=O)NCCn2ccnc2-c2cnccn2)c1 575608452 FYQDITCIIAKDOQ-UHFFFAOYSA-N 337.383 1.708 0 40 EDAB Cc1nnsc1C(=O)NCCNc1ccc(-n2cccc2)nn1 75172207 VTENRFPJQLKOBT-UHFFFAOYSA-N 329.389 1.269 0 40 EDAB O=C(COc1ccccc1F)NC[C@H](O)c1ccc2c(c1)CCO2 85559066 SNESPAIYWIFDGD-HNNXBMFYSA-N 331.343 1.989 0 40 EDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCOc1ccc(F)cc1)CS2 30480976 ROKYHJDCOFXQGT-CZUORRHYSA-N 338.404 1.775 0 40 EDAB O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCc1cccs1 40143593 FFOYZGQMPPHYCX-UHFFFAOYSA-N 341.392 1.636 0 40 EDAB CCc1cc2c(=O)n(CC(=O)NC[C@@H]3CCCO3)c(C)nc2s1 20158359 XJVGLOLPAQMUOD-NSHDSACASA-N 335.429 1.624 0 40 EDAB Cc1cc(C)c2cc(C(=O)N3CCC(NS(C)(=O)=O)CC3)[nH]c2c1 40485395 HUWHWNYCWFJUHY-UHFFFAOYSA-N 349.456 1.939 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cn1C 31666418 FSNQADPIBNVYSL-UHFFFAOYSA-N 333.413 1.674 0 40 EDAB CCCNC(=O)[C@@H](C)N1CCC(NC(=O)c2scnc2C)CC1 51099843 FYIVSAYYUYMYIA-GFCCVEGCSA-N 338.477 1.560 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)C3=NN(C)C(=O)CC3)cn2)C[C@@H](C)O1 40553202 SHSBPFMQPUNTBC-TXEJJXNPSA-N 345.403 1.242 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)NC1CCN(c2ncccn2)CC1 40529292 CATGNJBMAZBXDM-JTQLQIEISA-N 332.326 1.529 0 40 EDAB C[C@H]1C[C@H]1CNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 32386900 MAEDGNFRPKLRME-RYUDHWBXSA-N 335.429 1.353 0 40 EDAB CC(C)(C)Nc1nc(NCc2cccnc2)nc(N2CCOCC2)n1 339907 HNERVRIXTNRASB-UHFFFAOYSA-N 343.435 1.926 0 40 EDAB O=C1NC(=O)C(Nc2ccc(I)cc2)=C1Cl 113803 LCUVRIYAHNNTSL-UHFFFAOYSA-N 348.527 1.810 0 40 EDAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 2652796 PYEVMJJSZUGTRB-PIGZYNQJSA-N 331.372 1.131 0 40 EDAB CC(C)Oc1nnc(S[C@@H](C)C(=O)NC(=O)NC2CC2)s1 60530065 GOUVUXSZLMJLFD-ZETCQYMHSA-N 330.435 1.794 0 40 EDAB CCN1C[C@@H](NS(=O)(=O)c2c(C)nn(C(C)C)c2C)[C@H](C)C1 76058414 XBRYVROLBYSJDY-BXUZGUMPSA-N 328.482 1.699 0 40 EDAB C[C@@H](CNc1cnn(C)c(=O)c1Br)CC1(C)OCCO1 76063407 NROXVDBVRHLTEO-SECBINFHSA-N 346.225 1.744 0 40 EDAB CCC(=O)Nc1cc(NC(=O)CSc2nnnn2C)ccc1C 1357411 CYVISKRKKCFWMK-UHFFFAOYSA-N 334.405 1.598 0 40 EDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCC(C(N)=O)CC2)o1 78879777 DMNMOHIZHRZKBS-ZDUSSCGKSA-N 341.433 1.167 0 40 EDAB O=C(NCc1cccnc1OC1CCCC1)[C@H]1CCS(=O)(=O)C1 41426983 ABVBIOSXJHVWSU-ZDUSSCGKSA-N 338.429 1.454 0 40 EDAB CCOCCO[C@@H](C)C(=O)N(CCNC(C)=O)Cc1ccccc1 72287906 KFEFDGVSLJNSLL-HNNXBMFYSA-N 336.432 1.593 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)s1 6680137 LMPKERISFSZRLU-UWVGGRQHSA-N 346.474 1.604 0 40 EDAB CCOC(=O)[C@H]1C(=O)CC(=O)[C@H](C(=O)OCC)C1c1ccc(O)cc1 104139524 YREWCCCAPNMOJS-HOTGVXAUSA-N 348.351 1.376 0 40 EDAB COc1ccc(F)cc1[C@H](C)NC(=O)NCCCNS(C)(=O)=O 46905070 KYFMPOUCMTUTML-JTQLQIEISA-N 347.412 1.134 0 40 EDAB Cn1c(=O)c2c(nc(C3C[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3)n2C)n(C)c1=O 102832555 WJZABZDNBWNGQV-UKJIMTQDSA-N 328.416 1.510 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CC(c2cccc(F)c2)=NO1 41777723 SJZDBQQGRYKAMR-CQSZACIVSA-N 335.379 1.692 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@@H](C(N)=O)C1 41838423 WWLSNTQEVRDUSN-CQSZACIVSA-N 327.384 1.916 0 40 EDAB Cn1cc(CN2C(=O)C[C@H](C(=O)O)[C@H]2c2ccc3c(c2)CCO3)cn1 69492038 FEYOWCWFKCKUQM-WMLDXEAASA-N 341.367 1.529 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)Nc2cccc(Cl)c2)CC1 22870089 QYNPTHICEBFBHZ-UHFFFAOYSA-N 331.825 1.886 0 40 EDAB Cc1cc(=O)c(C(=O)Nc2nc[nH]n2)nn1-c1ccc(Cl)cc1 23142016 HELQXNWSLFAQOF-UHFFFAOYSA-N 330.735 1.565 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 23155558 KPZGKBHMMYXGRZ-CYBMUJFWSA-N 339.413 1.505 0 40 EDAB Cc1cc(C)n(CCCNC(=O)[C@@H](C)NC(=O)c2cccs2)n1 23246855 IBFWMLGTDKULIV-CYBMUJFWSA-N 334.445 1.886 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 104680601 OMJFHFLKMDAVMQ-IIAWOOMASA-N 343.427 1.939 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 42533270 NMKYZVOHZNXYBX-CJNGLKHVSA-N 342.399 1.819 0 40 EDAB Cc1ccc(CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n1C 23593120 KJTJATYOMPMIAZ-UHFFFAOYSA-N 340.383 1.043 0 40 EDAB Cc1cccc(C)c1NC(=O)C[C@@H](CN1CCN(C)CC1)C(=O)O 61721881 WRHSFESYLBVIRG-HNNXBMFYSA-N 333.432 1.580 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12 24690058 CFBLSYVRVRJJEQ-AWEZNQCLSA-N 349.456 1.641 0 40 EDAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2CCCCC2)c1 3246600 NOPWHTJXUHELMR-UHFFFAOYSA-N 332.400 1.589 0 40 EDAB CC(=O)N(C)CC(=O)NCCCNc1ccc(C(F)(F)F)cn1 56397519 OVQNMVPMLICGFH-UHFFFAOYSA-N 332.326 1.497 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)NCCn1ccnc1 25872893 GHURKPUYRZSRCE-UHFFFAOYSA-N 344.234 1.933 0 40 EDAB Cc1csc(=O)n1CC(=O)NCCc1ccc2c(c1)OCCO2 12622552 CIVLCPJJPQEQRA-UHFFFAOYSA-N 334.397 1.348 0 40 EDAB COc1ccccc1OCCN/C=C1/C(=O)NC(=O)c2ccccc21 27178199 IUDZIVQRHOTHQV-NTCAYCPXSA-N 338.363 1.975 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)NCCc2ccc(F)cc2)C1 58014167 MYTWEGROLFCKTB-CQSZACIVSA-N 343.424 1.091 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)CN(C)C2CCCCC2)c2ccccc2O1 10035421 XUXXDHBEMZPWKX-QGZVFWFLSA-N 345.443 1.791 0 40 EDAB Cc1occc1C(=O)N(C)S(=O)(=O)c1ccc2c(c1)OCCO2 58172101 GZMSGGQFCFVDGN-UHFFFAOYSA-N 337.353 1.820 0 40 EDAB Cc1c(NCC(=O)NC(=O)NC2CC2)cccc1N1CCCC1=O 58278194 UWSGRZVGLGIMNI-UHFFFAOYSA-N 330.388 1.522 0 40 EDAB O=S1(=O)CC[C@H](NCc2ccc(OCc3cccnc3)cc2)C1 42186730 AYONTOIGCVKVRW-INIZCTEOSA-N 332.425 1.937 0 40 EDAB C[C@@H](CC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1)C1CC1 58218501 KEGUGNOEQWYYQI-AWEZNQCLSA-N 340.431 1.747 0 40 EDAB Cc1cc(CN(C)C[C@@H](O)COCc2ccc3c(c2)OCO3)no1 44975281 RQWBEAKGQSLXCJ-OAHLLOKOSA-N 334.372 1.721 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCN2CCCC[C@@H]2C)cc1 44943288 BYXSMWVGECMLEZ-ZDUSSCGKSA-N 339.461 1.199 0 40 EDAB C[C@H]1Oc2ccccc2N(CC(=O)N(C[C@@H]2CCOC2)C2CC2)C1=O 44940932 VDQRPXWNCNNASG-KGLIPLIRSA-N 344.411 1.828 0 40 EDAB COCCn1cc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)cn1 44971786 QYZVBVZWRMCPBH-ZDUSSCGKSA-N 345.407 1.110 0 40 EDAB CC(C)C[C@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(=O)O 44917996 FZMWRCSULBSYOR-HNNXBMFYSA-N 343.383 1.526 0 40 EDAB COCCCC(=O)N[C@H](CN1CCN(C)CC1)c1ccc(OC)cc1 58393828 ZGPACEOSHLKSCD-GOSISDBHSA-N 349.475 1.527 0 40 EDAB CCOCCCNC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20503159 IHQZCPPCQCJAKD-UHFFFAOYSA-N 349.431 1.669 0 40 EDAB Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@@H]2CCCO2)cc1 22620773 FGYVKQCHCGZQLP-ZDUSSCGKSA-N 332.429 1.837 0 40 EDAB C[C@H](NC(=O)NC[C@@H](C)N1CCc2sccc2C1)c1nncn1C 48353954 MBQTXVFLDFWZLK-NEPJUHHUSA-N 348.476 1.684 0 40 EDAB COCCn1nc(C(=O)N[C@@H]2CCOc3ccccc32)ccc1=O 45529485 CQVXEKXSHXALKM-CYBMUJFWSA-N 329.356 1.143 0 40 EDAB COc1cc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc(OC)c1C 45750898 ULSWQOBZNVRCQL-CQSZACIVSA-N 332.400 1.895 0 40 EDAB CN(CC(=O)NCCc1cccc(F)c1)c1ncnc2[nH]cnc12 45978751 GNPYNRFMRSGZIN-UHFFFAOYSA-N 328.351 1.287 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)Cc2cccc(OC)c2)c2ccccc2O1 12938988 KHMKNMVELAQUHM-KRWDZBQOSA-N 340.379 1.778 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2c[nH]c3ccccc23)NC(=O)NC1 12937897 MIZZMIIWTXCLEI-UHFFFAOYSA-N 343.339 1.455 0 40 EDAB COc1ccccc1CNC(=O)c1ccc(N2CCOCC2)nc1 12992276 MGBXETOBDGSYDH-UHFFFAOYSA-N 327.384 1.857 0 40 EDAB O=C(NCCCc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 17298413 ZBFBBIDUSDODEK-UHFFFAOYSA-N 345.424 1.233 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN(C)CC2CCN(CCO)CC2)[C@@H]1C 69668398 OXEKQOJMDFZNEQ-NUJGCVRESA-N 339.524 1.563 0 40 EDAB NC(=O)NC(=O)CCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 69654347 WFTARMZTKHDFNH-CYBMUJFWSA-N 343.387 1.849 0 40 EDAB Cc1cccc(CS(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)c1 69662423 CMQPXMNEBYHEMC-UHFFFAOYSA-N 336.457 1.815 0 40 EDAB COC(=O)CCN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O 69663626 MFQKJCUIIDDDCY-CQSZACIVSA-N 328.727 1.809 0 40 EDAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)Cn2ccsc2=N)c1 8549722 WLSNYGLAZSMZBK-UHFFFAOYSA-N 332.429 1.743 0 40 EDAB CN(CC(=O)NCc1cccc(NC(N)=O)c1)C(=O)OC(C)(C)C 69971591 LNXSVLPLAFFDPE-UHFFFAOYSA-N 336.392 1.660 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCCCn1c(=O)oc3ccccc31)CC2 69922010 TXBSBQWIMBKMMS-ZDUSSCGKSA-N 341.415 1.743 0 40 EDAB CCc1nc2n(n1)C[C@@H](NC[C@@H](O)COCc1cccs1)CC2 69843634 QNBYFXMZEFZCIA-QWHCGFSZSA-N 336.461 1.384 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cccn1)NC1CCN(C2CC2)CC1 69813511 HFICUKROKZBCTR-KRWDZBQOSA-N 331.464 1.091 0 40 EDAB COc1ccc(F)cc1NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 92105357 AUTSEYLETVHCFU-GFCCVEGCSA-N 347.350 1.495 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCN(Cc2nc(C)c(C)o2)CC1 65533454 CNXODSIIHBLEMD-UHFFFAOYSA-N 344.481 1.386 0 40 EDAB NC(=O)CN(CCC1CCCCC1)Cc1cc(=O)n2nccc2[nH]1 66497774 MVISTPRRBJBBDE-UHFFFAOYSA-N 331.420 1.280 0 40 EDAB CCOC(=O)NCCC(=O)OCCCn1nnc(-c2ccccc2)n1 66734146 LJENDVLVKHPZHI-UHFFFAOYSA-N 347.375 1.410 0 40 EDAB CN1N[C@H](c2cccs2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 19171860 ZIEJQJNYJCOWCB-RBSFLKMASA-N 327.409 1.793 0 40 EDAB CCN(CC)C(=O)CNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 67235624 PCAKIBPYBGDGFM-ZDUSSCGKSA-N 341.452 1.761 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccnc2)cc1 15436398 SWTXEXLHTVXAAL-UHFFFAOYSA-N 349.412 1.787 0 40 EDAB CCCC12CN3CC(C)(CN(C1)C31C(=O)N(C)c3ccccc31)C2=O 19320072 UKYOTCUXTCZGSN-UHFFFAOYSA-N 339.439 1.823 0 40 EDAB biogenic C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)N(C)C 69347619 JPBTXZGSUYCTLD-OCCSQVGLSA-N 347.415 1.086 0 40 EDAB Cn1ccnc1CN1CCN(CC(=O)N2CCc3ccccc32)CC1 69349439 STDNOWAFQDVHOC-UHFFFAOYSA-N 339.443 1.127 0 40 EDAB O=C(CCNC(=O)c1ccco1)Nc1ccc(-n2cnnn2)cc1 8388844 AKQMPCVQYYVTRX-UHFFFAOYSA-N 326.316 1.014 0 40 EDAB Cn1cnc([C@H]2CN(C(=O)C3CC3)C[C@]23CCN(CC2CC2)C3=O)c1 306125171 CIGFWYXCZSOHFA-DNVCBOLYSA-N 342.443 1.385 0 40 EDAB CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1ccnn1 97164948 BZTFEOJSBSGQPI-UHFFFAOYSA-N 333.367 1.683 0 40 EDAB CN(C)c1nc2cc(NC(=O)N[C@@H]3CCc4ncnn4C3)ccc2o1 97104125 VEPNRBZJFKMTBA-LLVKDONJSA-N 341.375 1.622 0 40 EDAB Cc1ccnc(NC(=O)C(=O)N2CCC[C@H](c3nc(C)no3)C2)c1 97117591 YWQWXOJXJJYZKS-LBPRGKRZSA-N 329.360 1.426 0 40 EDAB COc1cc(C(=O)N[C@H]2CCc3nc(C)cn3C2)cc2c1OCCO2 97198187 NLAUAYXCXGWNRI-ZDUSSCGKSA-N 343.383 1.716 0 40 EDAB CN1C[C@H](NC(=O)c2csc(Cc3ccccc3F)n2)CC1=O 96410076 WHRWCBJCPXIATN-LLVKDONJSA-N 333.388 1.834 0 40 EDAB CC(C)S(=O)(=O)[C@@H](C)C(=O)N1CCCC[C@H]1Cn1cccn1 71865330 KKOUEYQXKPQOAF-KBPBESRZSA-N 327.450 1.476 0 40 EDAB O=C(Nc1cccnc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 71893619 YRULJUVUGCFTBL-QGZVFWFLSA-N 326.400 1.965 0 40 EDAB NC(=O)[C@H](NCCCS(=O)(=O)c1ccccc1)c1ccccc1 71834539 WWHJRGZQTZMKQW-MRXNPFEDSA-N 332.425 1.667 0 40 EDAB Cc1ccc2nc(CNC(=O)[C@H](C(C)C)N3CCCC3=O)cn2c1 71849920 LKFHBNGDCMUQOI-KRWDZBQOSA-N 328.416 1.906 0 40 EDAB COc1ccccc1S(=O)(=O)NC1CN(C(=O)OC(C)(C)C)C1 71914016 ITVJRCAOJYCEMB-UHFFFAOYSA-N 342.417 1.593 0 40 EDAB C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 72309533 FNRJZWLEIBCNOR-UONOGXRCSA-N 338.473 1.230 0 40 EDAB CN(C)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 97082848 GDYHIDJOXPBJDI-UWVGGRQHSA-N 337.367 1.861 0 40 EDAB CS(=O)(=O)c1ccc(N2CCN(CC3CCCC3)C(=O)C2)cc1 97086031 GTRCQYSTIRAICJ-UHFFFAOYSA-N 336.457 1.929 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)NCc1cccnc1N(C)C 89322865 LAUBUUMNDFDSTC-UHFFFAOYSA-N 329.408 1.027 0 40 EDAB CCc1onc(C)c1NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 89445519 KSMLZEUASVRHHL-NSHDSACASA-N 341.371 1.822 0 40 EDAB O=C(Nc1ncccn1)[C@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 408739313 ZLEVQOVSFCDULR-ZIAGYGMSSA-N 342.355 1.187 0 40 EDAB CCN1CCC[C@H]1CNCc1cc2cc3c(cc2[nH]c1=O)OCCO3 23247905 KENAASCJPVJENH-HNNXBMFYSA-N 343.427 1.873 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1c1ncnc2c1cnn2-c1ccccc1 42740176 KXWPTEZMTABQTD-QWHCGFSZSA-N 336.399 1.906 0 40 EDAB CC(C)Cn1cc2c(n1)C1(CCN(C(=O)C3CC3)CC1)CN(C)C2=O 306128558 HEEBDTDKQUVICZ-UHFFFAOYSA-N 344.459 1.895 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1CC[C@@](C(=O)O)(c2ccccc2)C1 1549072530 OPGHRPHVSNRAOS-IBGZPJMESA-N 341.411 1.916 0 40 EDAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc2ccccc2c1 547877261 OTFYYTKBQJTIDU-BLLLJJGKSA-N 349.408 1.998 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)C2(CN)CN)cc1 218450412 UEQTWIRZQVPUCK-SJORKVTESA-N 348.443 1.978 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)Nc2cnn(C)c2)[C@H]1c1ccccc1F 72241548 POHNYQJAVNJGKH-HUUCEWRRSA-N 332.335 1.096 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2cnn(-c3ccccc3)n2)C1 32841663 CDCLYMYWADGMCA-MRXNPFEDSA-N 343.431 1.354 0 40 EDAB C[C@H](CN1CCCCC1)NS(=O)(=O)c1cnn(CC(F)F)c1 188212122 CLVMEISYXFKRBK-LLVKDONJSA-N 336.408 1.301 0 40 EDAB COCCn1cc(C(=O)N2C[C@H]3CCCCN3c3ccccc32)nn1 557018683 HEEKQBQSUIPMDV-CQSZACIVSA-N 341.415 1.944 0 40 EDAB O=CN1CCN(CCC(=O)Nc2ccc(C(F)(F)F)nc2)CC1 71297197 QZAMEGOOQIBQIR-UHFFFAOYSA-N 330.310 1.203 0 40 EDAB O=C(NC[C@H](O)C1CCOCC1)[C@H]1CCCN1Cc1ccccc1 77050002 PVTNUWYMPFEUCO-MSOLQXFVSA-N 332.444 1.555 0 40 EDAB CN(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(C(F)F)c2)CCO1 566915636 KOSKXDNUEMSWQN-CYBMUJFWSA-N 342.342 1.482 0 40 EDAB COCc1nc2ncc3c(=O)n([C@H](CC(C)C)C(=O)O)ccc3n2n1 72466535 DXRXRRHVAVODDE-GFCCVEGCSA-N 345.359 1.257 0 40 EDAB CC1(C)CN(C(=O)c2ccc3nn[nH]c3n2)C[C@](C)(C(F)(F)F)O1 565587735 PXVXDFAKADRCHP-CYBMUJFWSA-N 343.309 1.925 0 40 EDAB CC1CCN(Cc2ccc(C(=O)N3CCN(C=O)CC3)cc2)CC1 44903640 WPQMGKNWGVWUKK-UHFFFAOYSA-N 329.444 1.833 0 40 EDAB CCc1ccc(C(C)(C)NS(=O)(=O)[C@@H](C)C(=O)N(C)C)cc1 194004350 PWJZRBBZZSQRJJ-LBPRGKRZSA-N 326.462 1.880 0 40 EDAB COCC(=O)N1CCc2nc(NC(C)C)nc(NC(C)C)c2CC1 96254639 KVKLLMBYSMUHFH-UHFFFAOYSA-N 335.452 1.691 0 40 EDAB O=C([C@H]1CO[C@H]2CCN(Cc3ccccn3)C[C@H]2C1)N1CCCCO1 96066058 KQFIZUAMBGSOPN-NUJGCVRESA-N 345.443 1.863 0 40 EDAB COc1ccccc1-n1ccnc(N2CCC[C@H](C(=O)O)C2)c1=O 96530534 GLNYAZBWEXGYKY-LBPRGKRZSA-N 329.356 1.542 0 40 EDAB O=C1C[C@H](c2ccncc2)C2(CCN(C(=O)[C@@H]3CCOC3)CC2)N1 96199970 OOTMDPFBEVSZTK-HUUCEWRRSA-N 329.400 1.083 0 40 EDAB O=C(NC[C@@H]1OC[C@H]2CN(c3ccccn3)CC[C@H]21)c1ccncc1 96185348 XXWMLUPBSUUIDQ-ZACQAIPSSA-N 338.411 1.748 0 40 EDAB C[C@@H](C(=O)N[C@@H]1CCN(C)C1=O)c1ccc(Br)s1 96431194 WHDJWRYDRYWHBP-HTQZYQBOSA-N 331.235 1.961 0 40 EDAB CN(C)c1ncc2c(n1)[C@]1(CCN(C(=O)c3cccnc3)C1)COC2 96080331 DVQNVGASPRNADF-SFHVURJKSA-N 339.399 1.252 0 40 EDAB COc1c(C(=O)OC2CCN(CC(F)(F)F)CC2)c(C)nn1C 96446478 BWULNCMKRVYGBI-UHFFFAOYSA-N 335.326 1.921 0 40 EDAB COc1ncccc1C(=O)N1C[C@@H](OCC2CC2)[C@H]2OCCC[C@H]21 96042398 PVJNSFDZTPGLQR-OAGGEKHMSA-N 332.400 1.889 0 40 EDAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cnccn3)C[C@H]3OCC[C@H]32)o1 96041292 QVVQBVBMBQPLSL-NUEKZKHPSA-N 342.399 1.996 0 40 EDAB O=S(=O)(N[C@H]1CCNC1)c1ccc(C(F)(F)F)cc1Cl 95467159 ACYFLKNUCOYKFC-QMMMGPOBSA-N 328.743 1.999 0 40 EDAB COC(=O)COc1cccc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)c1 95474538 VOWZBUAAALYTQZ-ZDUSSCGKSA-N 343.335 1.676 0 40 EDAB CN(C)CCNC(=O)Cc1cccc(I)c1 96474112 WDHWPUHQTWFHPM-UHFFFAOYSA-N 332.185 1.512 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1CC[C@@H]2[C@@H](CCN2c2ccncn2)O1 96040909 IADUFZPXFQVRJF-OAGGEKHMSA-N 339.399 1.314 0 40 EDAB CCn1nnc2c1[C@H](COC)CN(C(=O)c1cccnc1OC)C2 96045529 ZFPZRLDQCXJAPZ-NSHDSACASA-N 331.376 1.088 0 40 EDAB Cc1cc(F)c(S(=O)(=O)N[C@H]2CCN(C(=O)C(C)C)C2)cc1F 96475501 CMCPRNGOUFMOMX-NSHDSACASA-N 346.399 1.808 0 40 EDAB Cn1cccc1C(=O)NCc1cnc2n1CCN(Cc1ccco1)C2 96061943 RXMBTSUVXUBLDQ-UHFFFAOYSA-N 339.399 1.760 0 40 EDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)c1nn(C)c3ccccc13)C2 248084455 BCNOVMQAKBJCLV-AWEZNQCLSA-N 342.443 1.756 0 40 EDAB COCC(=O)N1CC[C@H](Cc2nccnc2-c2cnc(C)n2C)C1 257339871 ZDNNCGSSJAUBBN-CYBMUJFWSA-N 329.404 1.223 0 40 EDAB C[C@H]1CN(C2CCOCC2)CCN1S(=O)(=O)c1ccc(F)nc1 585115839 VNQNEBZBYMECLN-LBPRGKRZSA-N 343.424 1.095 0 40 EDAB CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CC[C@H](O)C1 585117186 TXOLRAKDPZXSJT-WCBMZHEXSA-N 349.250 1.885 0 40 EDAB O=C([C@H](O)Cc1cccc(C(F)(F)F)c1)N1CC[C@]2(CCNC2)C1 585136936 ZDFSYLSERDFONB-ZBFHGGJFSA-N 342.361 1.821 0 40 EDAB CN1CCN(Cc2ccnc3ccccc23)C[C@@H](C(=O)N(C)C)C1 257247605 IZRIRHHZJCEDII-INIZCTEOSA-N 326.444 1.687 0 40 EDAB Cn1cc(C(=O)N(c2ccccc2)[C@@H]2COC3(CCNCC3)C2)cn1 257207548 BIGFQAWGNKXHMI-KRWDZBQOSA-N 340.427 1.978 0 40 EDAB O=C(c1cscn1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257282883 OVQUPDGZHBOWRU-ZDUSSCGKSA-N 331.388 1.451 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)CC3CCOCC3)CCO2)n1 257236647 HDBODEWCXZEKMS-MRXNPFEDSA-N 333.432 1.864 0 40 EDAB COCc1cccc(C(=O)N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)c1 257244134 IJZSDCXZUCYYHI-ROUUACIJSA-N 348.443 1.131 0 40 EDAB C[C@]12C[C@@H](c3ccc(F)cc3)N(C(=O)CO)[C@H]1CCCCC(=O)N2 257312408 UNVCYICSKCPUCL-MPGHIAIKSA-N 334.391 1.909 0 40 EDAB CC(C)[C@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 260905836 SVBZTMOMQGNJPN-SMDDNHRTSA-N 326.418 1.374 0 40 EDAB CO[C@H]1[C@H]2OCO[C@H]2C[C@@H]2[C@H]1CN([C@H](C)c1ccccc1)C[C@@H]2O 261829902 XURKOQQWNGJKKI-SGNYEFMRSA-N 333.428 1.817 0 40 EDAB C[C@H]1COCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)O)cc1F 285681385 ZZIVDLRIWAEEIG-GXSJLCMTSA-N 331.365 1.475 0 40 EDAB CN1CCN(S(=O)(=O)CCc2cccs2)C[C@]12CCOC2 1615589532 IJKGURUGBMVZCR-AWEZNQCLSA-N 330.475 1.027 0 40 EDAB CN(CCCOCc1ccccc1)C(=O)Nc1nccn(C)c1=O 390835797 YOBKJGXURHROOB-UHFFFAOYSA-N 330.388 1.851 0 40 EDAB O=C(Cc1cnc[nH]1)N1CCO[C@@](CO)(Cc2ccc(Cl)cc2)C1 585277412 WFTFYYMPXRWVIV-KRWDZBQOSA-N 349.818 1.438 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)Cc1ccncc1 585287765 FIRUAENSEBQVDF-HNAYVOBHSA-N 345.443 1.689 0 40 EDAB CO[C@H]1CCCN(C(=O)/C=C/c2cnc[nH]2)[C@H]1CCC(=O)N(C)C 585288566 DUUNCZPFKCZLOW-ODYMAQSMSA-N 334.420 1.297 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)c2nccn2C)CCO1 585277772 XTZDSIBVJKTMKM-GOSISDBHSA-N 329.400 1.175 0 40 EDAB COCC[C@H]1CCOC12CCN(S(=O)(=O)c1cccnc1)CC2 585104671 KVMNZNRWLNFBFV-AWEZNQCLSA-N 340.445 1.678 0 40 EDAB COCCC(=O)N1CCC[C@H](NC(C)=O)[C@@H]1Cc1ccc(F)cc1 585269514 XWIFXSRVEFTAIU-IRXDYDNUSA-N 336.407 1.900 0 40 EDAB O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H](O)Cc1ccccc1 684466460 ZIPCUUSKNRMVLI-BQFCYCMXSA-N 331.412 1.577 0 40 EDAB NC(=O)C1(CNC(=O)c2ccn(-c3ccc(F)cc3)n2)CCOCC1 52744692 AARDVYCSSHCGNN-UHFFFAOYSA-N 346.362 1.023 0 40 EDAB CCN1C[C@H](C(=O)N(C)Cc2nccn2CC(F)(F)F)CC1=O 57754825 XFEXJTSZPGAZFK-SNVBAGLBSA-N 332.326 1.272 0 40 EDAB COc1cccc(S(=O)(=O)CCN2CCC[C@H]2Cn2cccn2)c1 71875749 OSBRTQYHTQAJCE-HNNXBMFYSA-N 349.456 1.830 0 40 EDAB CCOC(=O)[C@@H]1CNCC12CC(NC(=O)OCc1ccccc1)C2 91302873 FGKHIIWPOVJCDY-CSLYMUCUSA-N 332.400 1.844 0 40 EDAB O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)C2CC2)CC1 96099544 XJBXADOGSMCLER-UHFFFAOYSA-N 333.431 1.151 0 40 EDAB C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CN1CCC[C@@H](C(F)(F)F)C1=O 1615586525 OIAPELPWUVKXHY-UPJWGTAASA-N 349.397 1.586 0 40 EDAB COC(=O)[C@@H](CCn1ccc(C(C)=O)n1)NC(=O)OC(C)(C)C 1615611174 USTQGRASZJDLAG-GFCCVEGCSA-N 325.365 1.542 0 40 EDAB COc1ccc(CNC(=O)Cn2c(=O)n(C)c3ncccc32)cc1 12117553 IELCNBHFDVHKEX-UHFFFAOYSA-N 326.356 1.060 0 40 EDAB Cc1cc(O)n2nc([C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)cc2n1 12161026 LZYCXHCCRGGHIB-KBPBESRZSA-N 330.388 1.976 0 40 EDAB Cc1cc(O[C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)nc(C)n1 585147369 KGVDGJNDJHLKLY-AWEZNQCLSA-N 330.388 1.921 0 40 EDAB CCOC(=O)[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C1CCCCCC1 594194796 LGRURPUYXZKIEQ-UONOGXRCSA-N 345.461 1.439 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)OCCOc2ccccc2)c1 3488402 RQZZGDVRAABXCN-UHFFFAOYSA-N 335.381 1.831 0 40 EDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)c1csnn1)CC2 1565550059 NYEAWNSQGRZGDG-UHFFFAOYSA-N 332.385 1.269 0 40 EDAB COC(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1 4263826 JBRIKXAFGTZSOR-UHFFFAOYSA-N 338.319 1.951 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NCCCN1CCCC1=O 5250880 WOSXVANZVUQGGD-UHFFFAOYSA-N 333.388 1.071 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H]3OCCN(CCN(C)C)[C@@H]3CC2)cn1 2055746168 UIBUUSNFKPMBCL-QZTJIDSGSA-N 346.475 1.257 0 40 EDAB COCC(=O)N1CC[C@]2(CC[C@@H](C(=O)Nc3cccnc3)O2)[C@H](C)C1 2055729966 KEOZPUCQSJUTFQ-QIIPPGSGSA-N 347.415 1.453 0 40 EDAB Cc1c(C(=O)C(=O)NCCCN2CCOCC2)c2ccccc2n1C 23182872 DQXDOROVEGCDNO-UHFFFAOYSA-N 343.427 1.508 0 40 EDAB CC(C)NC(=O)Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO 12231154 BTEHIPJESULEPO-UHFFFAOYSA-N 348.374 1.583 0 40 EDAB O=C(CCc1ccccc1)NCCNc1cc(-n2cccn2)ncn1 38488252 PROSLALDAKKTRK-UHFFFAOYSA-N 336.399 1.823 0 40 EDAB CSCC[C@H]1NC(=O)N(c2ccc(CN3CCOCC3)cc2)C1=O 16024774 BIJQBPLOIFBTGB-OAHLLOKOSA-N 349.456 1.697 0 40 EDAB COc1ccccc1S(=O)(=O)NC[C@@H](O)c1ccc2c(c1)CCO2 85559426 MPPSUKJGOHSSHB-CQSZACIVSA-N 349.408 1.642 0 40 EDAB COc1cccc(-n2nnc(C(=O)Nc3nnc(C)s3)c2C)c1 30570603 MOVINUMHUOXGDV-UHFFFAOYSA-N 330.373 1.997 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)c(=O)[nH]1 30800739 DICJUVWRTRMOAU-AWEZNQCLSA-N 333.432 1.503 0 40 EDAB C[C@@H](CNC(=O)c1ccn(-c2ccccc2Cl)n1)N1CCOCC1 50573844 HUVOELYLBWNANC-ZDUSSCGKSA-N 348.834 1.976 0 40 EDAB C[C@H](CNC(=O)CN1CCC[C@H](O)C1)c1nc2ccccc2s1 50958454 HCFBFIDAHJIYEY-OLZOCXBDSA-N 333.457 1.973 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 40513449 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NKNWJCXQKWVQQC-CYBMUJFWSA-N 342.417 1.376 0 40 EDAB Cc1cnn([C@H](C)C(=O)Nn2c(S)nc3ccccc3c2=O)c1 101649295 XFDYEUOFHKMGIT-SNVBAGLBSA-N 329.385 1.521 0 40 EDAB O[C@H](COc1ccccc1F)CN1CCN(c2nccs2)CC1 55471970 LXYCCZQNSVCEPJ-ZDUSSCGKSA-N 337.420 1.844 0 40 EDAB CN(C)C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2)CCO1 106785914 PVECWEFCMHVAID-GDBMZVCRSA-N 328.840 1.342 0 40 EDAB C[C@@H]1NC(C(=O)N[C@H](C)Cc2ccco2)=NN(c2ccccc2)C1=O 25301063 ITWNXOFIRHFNRK-OLZOCXBDSA-N 340.383 1.665 0 40 EDAB O=C(N[C@@H]1CCc2[nH]ncc2C1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 107591327 PDICHPPMZXTMIF-KMCQBPLKSA-N 343.475 1.783 0 40 EDAB NC(=O)c1cnc(NC[C@@H](O)COc2ccc(F)cc2)c(Cl)c1 57149427 IRUZSDDIBSTUAD-LLVKDONJSA-N 339.754 1.825 0 40 EDAB O=C(NCCCn1cncn1)NC[C@H](c1cccs1)N1CCCC1 48278406 UIKFRVRGMKRPHW-CQSZACIVSA-N 348.476 1.866 0 40 EDAB O=C1CN(c2ccc(NC(=O)c3ccc4c(c3)CCC4)cn2)CCN1 27261117 YXQLOJUSGAGYRQ-UHFFFAOYSA-N 336.395 1.759 0 40 EDAB Cc1ccc(S(=O)(=O)NCC(=O)NC(C)C)cc1C(F)(F)F 58194864 BNOUDUXXTWZHSM-UHFFFAOYSA-N 338.351 1.817 0 40 EDAB COc1ccc(Cl)cc1NCCC(=O)N1CCN(C(C)=O)CC1 58294206 AWHJUNPVIZDCQB-UHFFFAOYSA-N 339.823 1.841 0 40 EDAB CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C)c(C(N)=O)c1 58245878 FVNQJSMGDZGMPN-LBPRGKRZSA-N 326.418 1.284 0 40 EDAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)C1 58295111 IETMSMVQPCVROL-SGTLLEGYSA-N 347.390 1.851 0 40 EDAB COc1ccc(Br)c(NCC(=O)N2CCNC2=O)c1 58291825 OUYZLFJCZSCEID-UHFFFAOYSA-N 328.166 1.421 0 40 EDAB Cn1c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc(Cl)c1Cl 72286853 HRVYVYDJZYPRJW-SSDOTTSWSA-N 340.232 1.096 0 40 EDAB Cc1cccc(N2C[C@H](C(=O)N[C@H](C)c3nc[nH]n3)CC2=O)c1C 176196461 IWEVZVFSQBWTPV-CHWSQXEVSA-N 327.388 1.652 0 40 EDAB CNC(=O)C1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C)CC1 44908917 MHCLITWESQWCNJ-UHFFFAOYSA-N 344.390 1.918 0 40 EDAB COc1ccc(CCNC(=O)C(=O)Nc2cc(C)on2)cc1OC 10325831 NYYJLPZTCHEPEI-UHFFFAOYSA-N 333.344 1.298 0 40 EDAB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@@H]2[C@H]1CC=CCC1 10385443 RBNJCIXIIRGXHR-ZFWWWQNUSA-N 329.404 1.520 0 40 EDAB CC(C)c1ccc(OCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 58431747 SHINVZWZLZBYRS-CQSZACIVSA-N 325.430 1.882 0 40 EDAB Cc1cc(CN2CCN(c3nnnn3-c3ccccc3)CC2)on1 28623489 DTGYEAKHIAIQHF-UHFFFAOYSA-N 325.376 1.281 0 40 EDAB C[C@H](NC(=O)NCCN(C)C1CCCC1)c1nnc2ccccn12 72274023 PTMDNLIQEBZJBR-ZDUSSCGKSA-N 330.436 1.964 0 40 EDAB CC(C)c1noc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)n1 29135728 VVVQAWHCZIQWMZ-QGZVFWFLSA-N 342.355 1.923 0 40 EDAB Cc1cccc(N2CCN(C(=O)[C@H](C)S(=O)(=O)C(C)C)CC2)c1 59893770 JCTRORHTPQAREL-HNNXBMFYSA-N 338.473 1.855 0 40 EDAB CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 3426249 XKWNOZCOPQHDHP-UHFFFAOYSA-N 325.434 1.421 0 40 EDAB CCC[C@H](C(=O)OCC)N1CCN(CC(=O)N2CCCCC2)CC1 70037521 BVUMYFGFRVXGHO-MRXNPFEDSA-N 339.480 1.348 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)cc1OC 12987031 LTBIVJPQVUXQIK-NSHDSACASA-N 345.355 1.992 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccs1 69350422 MPECTSGFPHFBGX-JTQLQIEISA-N 332.451 1.133 0 40 EDAB O=C(Nc1ccccc1F)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 12908335 KBBCNNYZVGDYIN-GFCCVEGCSA-N 341.408 1.162 0 40 EDAB Cc1ccc(OCC(=O)N2CCCN(c3cccnn3)CC2)cc1 69948780 MSFYNBMESGAJMR-UHFFFAOYSA-N 326.400 1.903 0 40 EDAB COc1cccc(CNCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 48783266 QKTDZLPXGYRSPD-OKILXGFUSA-N 342.461 1.224 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 8315663 ICENGBRPAXQYRL-GXFFZTMASA-N 333.413 1.213 0 40 EDAB COC(=O)C[C@H](NC(=O)CCN1CCSC1=O)c1ccccc1 24500026 WTJIDHPGURQQKC-ZDUSSCGKSA-N 336.413 1.966 0 40 EDAB O=C1C[C@H](N(C(=O)c2csc(-c3ccccc3)n2)C2CC2)C(=O)N1 69484906 BXVKRSXCVSPRQM-ZDUSSCGKSA-N 341.392 1.830 0 40 EDAB Cc1cccc(OC[C@H](O)CN2CCN(Cc3nccn3C)CC2)c1 69452940 CSGLWVXKXWIJPD-QGZVFWFLSA-N 344.459 1.286 0 40 EDAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cnc(N3CCOCC3)nc2)c1 69463875 VJVWPNSVBZKZRN-CABCVRRESA-N 330.436 1.557 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)[C@H]1COc2ccccc2C1 69416442 LPWLGDMDBGAATR-CYBMUJFWSA-N 326.352 1.984 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)NCCNc1cnccn1 69420557 KUOUIJJQSNQBFD-UHFFFAOYSA-N 343.387 1.501 0 40 EDAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3nnn[nH]3)ccc12 6130729 FPRMFPUVPIIKRC-UHFFFAOYSA-N 344.327 1.519 0 40 EDAB CC(C)(C)c1csc([C@H]2CN(c3ccc4nnnn4n3)CCO2)n1 65487633 RBLSVABSMINDOF-SNVBAGLBSA-N 345.432 1.851 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](O)COc1cccc(F)c1 65474773 HELHGXDTKWUWLX-CQSZACIVSA-N 336.411 1.463 0 40 EDAB O=C(NC[C@H]1CCCO1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 65542127 YCFZFBAOWWXCPT-GFCCVEGCSA-N 342.392 1.175 0 40 EDAB Cc1cnn(C[C@@H](C)NCC(=O)NC[C@@H]2COc3ccccc3O2)c1 69571488 AZTHNJSEUUZWSR-HUUCEWRRSA-N 344.415 1.126 0 40 EDAB COC(=O)CC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OC 14135136 VCBQFKVECXISDV-RZYZSWTKSA-N 337.416 1.814 0 40 EDAB CCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 14139521 UXOGQKJPXIDERM-UHFFFAOYSA-N 332.447 1.185 0 40 EDAB COC(=O)C[C@H]1NC(=O)N(CN(C)Cc2ccc(Cl)cc2)C1=O 14162717 MLFHFPBAIDUYBL-GFCCVEGCSA-N 339.779 1.213 0 40 EDAB COc1ccc(NC(=O)[C@H]2C[C@@H]2C)c(N2CCN(C(C)=O)CC2)n1 69566294 KIEWZAOFAVFDGG-AAEUAGOBSA-N 332.404 1.353 0 40 EDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1sccc1-n1cnnn1 69528647 DVYFTSHDPSBXIC-OLZOCXBDSA-N 346.460 1.813 0 40 EDAB Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c(=O)[nH]1 91764539 BFVVQQVIPFYHCE-IAQYHMDHSA-N 334.322 1.910 0 40 EDAB CC(C)OCCCNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 4689049 NDAYALICQLIZJF-CQSZACIVSA-N 342.461 1.772 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCCC(=O)Nc1cn[nH]c1 69617728 CZBISXHWQKOBSS-ZBEGNZNMSA-N 344.371 1.473 0 40 EDAB NC(=O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c2ccccc21 69656736 QNHHJXSREZITRS-BBRMVZONSA-N 349.390 1.655 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@H](n2ccnc2)C1 69660252 GZMBRVHHDGEJJS-AWEZNQCLSA-N 337.383 1.457 0 40 EDAB C[C@H]1CN(C(=O)[C@@H](C)N2CCN(c3ccccn3)CC2)C[C@@H](C)O1 6859868 FZWORDPGIZRVHX-OWCLPIDISA-N 332.448 1.228 0 40 EDAB Cc1noc([C@@H](C)NC(=O)Nc2ncn(Cc3ccccc3)n2)n1 69701782 KNUPSQMNYZGOKY-SNVBAGLBSA-N 327.348 1.901 0 40 EDAB COc1cc(OC)c(C2=NO[C@H]3[C@H]2[C@H](OC)O[C@H]3OC)c(OC)c1 15231077 ZCDCZGUJYGSULM-ARLBYUKCSA-N 339.344 1.407 0 40 EDAB O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(F)c(F)c1 7051815 QDQPDRCLCKMEJQ-UHFFFAOYSA-N 337.311 1.741 0 40 EDAB O=C(NCCc1n[nH]c(=O)[nH]1)C1(c2ccc(F)cc2F)CCCC1 90057912 DWVLRWPLSFMGPT-UHFFFAOYSA-N 336.342 1.547 0 40 EDAB C[C@@H](SCc1cccc(F)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 15492624 VAYNWNKWCJYRNV-MFKMUULPSA-N 331.434 1.751 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)c1ccc(F)cc1-n1cnnn1)C(=O)OC 80355885 BDKHJQNILLBFIS-NOZJJQNGSA-N 335.339 1.119 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)c2cccc(-n3cccc3)c2)C1 67815364 JPJKEEOHSQARJN-HNNXBMFYSA-N 347.440 1.631 0 40 EDAB C[C@H](CC(=O)Nc1ccc(F)cc1)NC[C@@H]1CCCS1(=O)=O 90468158 DVCJCTZMSSFRDQ-RISCZKNCSA-N 328.409 1.710 0 40 EDAB O[C@H](COc1ccc(-c2nnco2)cc1)Cn1nnc2ccccc21 7636349 ZYRNICWYHNZIAD-ZDUSSCGKSA-N 337.339 1.921 0 40 EDAB CC(C)(CNC(=O)c1c[nH]nc1-c1ccccc1F)S(C)(=O)=O 87484580 WXUVAFJFCKVWGY-UHFFFAOYSA-N 339.392 1.769 0 40 EDAB C[C@H](CS(=O)(=O)N1CCc2c(nc[nH]c2=O)C1)c1ccccc1 96012530 WHOZOHKPASMMHT-GFCCVEGCSA-N 333.413 1.262 0 40 EDAB O=S(=O)(NCCN1CCOCC1)c1ccc(Br)cc1 19681289 UNCZECNYFQRXHO-UHFFFAOYSA-N 349.250 1.060 0 40 EDAB Cc1ccc(-n2nnc(C(=O)N3CCC[C@@H](CC(N)=O)C3)c2C)cc1 72309376 WYLRCHLYJWCGDC-AWEZNQCLSA-N 341.415 1.612 0 40 EDAB COc1ncnc(OC)c1C(=O)NCc1nc(C(F)(F)F)cs1 172612594 NKEVZVQMSBCDPZ-UHFFFAOYSA-N 348.306 1.899 0 40 EDAB Cc1nc(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)no1 71810514 SAAMLWWWLHUBHG-KPKJPENVSA-N 348.428 1.496 0 40 EDAB Cc1oc(-c2cccs2)nc1C(=O)N1CCCN(CC(N)=O)CC1 71829288 GRKGLGGHNMZTLE-UHFFFAOYSA-N 348.428 1.345 0 40 EDAB CC(C)(C)C1CCC(O)(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 71898090 DSDHJTQMXKILQV-CBCUQQMYSA-N 345.505 1.895 0 40 EDAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(C2CC2)CC1 71836787 PRIFJNFJSZKPTP-HNNXBMFYSA-N 331.441 1.796 0 40 EDAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1cnn(C)c1 96503137 PXAUZELPZXUMFP-YOEHRIQHSA-N 327.432 1.740 0 40 EDAB CCSc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)cn1 71900232 JVRLJOCBUSABCN-CQSZACIVSA-N 349.456 1.657 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)NCCS(C)(=O)=O)cc1 72047872 LCHVUKJEYOBWHH-CQSZACIVSA-N 326.418 1.586 0 40 EDAB Cc1nn(C)c(Cl)c1CN1CCN(C(=O)c2ccncc2)CC1 84012378 HLAUWEHESZTBSY-UHFFFAOYSA-N 333.823 1.735 0 40 EDAB CNC(=O)CCN(C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 95396751 UPJDOBBNBNUELD-CYBMUJFWSA-N 343.349 1.879 0 40 EDAB CC[C@H](C(=O)NCCc1sc(N(C)C)nc1C)N1CCCC1=O 95404275 XJCRXKQMKABYHU-GFCCVEGCSA-N 338.477 1.577 0 40 EDAB C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)[C@H](O)Cc1ccccc1 95434317 AJEOALZOBGKKKN-SJKOYZFVSA-N 339.395 1.589 0 40 EDAB Cc1cc(CC(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n[nH]1 95440509 HWRUTYRPBQSLPX-YOEHRIQHSA-N 330.363 1.488 0 40 EDAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cnsn1 95978729 NILRUPFQTYIEDY-JTQLQIEISA-N 340.767 1.866 0 40 EDAB CCc1n[nH]c(=O)c(CNC(=O)NCc2sc(C)nc2C)c1CC 89282561 QTEVJDPVKVNQJN-UHFFFAOYSA-N 349.460 1.967 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H]1CNC(=O)N1 89520900 IWCZKHBNFXNKAF-HNNXBMFYSA-N 327.388 1.129 0 40 EDAB CCOC(=O)[C@](C)(NC(=O)CN1Cc2ccccc2C1=O)C(C)C 75142415 XKQMHAZGKLWEOJ-GOSISDBHSA-N 332.400 1.736 0 40 EDAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCCc1nnc2n1CCCCC2 89917557 QTVLQWUBQJIWCH-MAZHCROVSA-N 347.463 1.660 0 40 EDAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 75606260 QSEHNETUMKIHNB-HOTGVXAUSA-N 348.491 1.926 0 40 EDAB CCC[C@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 38859520 UQJFGWBVOJNZEM-FZMZJTMJSA-N 326.418 1.518 0 40 EDAB Cn1cc(NC(=O)NCCc2cn[nH]c2)cc(Br)c1=O 1548453599 VPKWLSQGDARLLW-UHFFFAOYSA-N 340.181 1.235 0 40 EDAB Cc1cc(N2CCN3CCOC[C@@]3(CO)C2)nc(-c2cccs2)n1 1548524334 BEGWMZQUCCVVSW-KRWDZBQOSA-N 346.456 1.397 0 40 EDAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 409388103 CAYOSESCLRMSBH-UHFFFAOYSA-N 340.445 1.685 0 40 EDAB CN(C(=O)C1(c2ccccc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 32977289 DXJFSOPAGMLMHN-OAHLLOKOSA-N 337.441 1.380 0 40 EDAB CCc1ccc(CC)c(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 28577342 NYNJTJBKYUDFGO-CYBMUJFWSA-N 331.459 1.277 0 40 EDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cn(C)nc2C)C1 548345718 RZZMMQHZPYZRHH-MRXNPFEDSA-N 333.461 1.731 0 40 EDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)CN(CCO)c1ccccc1 31773301 BCZFWKSQFZKEKU-HNNXBMFYSA-N 340.379 1.142 0 40 EDAB CCc1nnc(Nc2cc([C@@H]3CCCN3C(=O)CN)nc(C)n2)s1 72360899 NJEOKVBLXZCNRR-NSHDSACASA-N 347.448 1.565 0 40 EDAB O=C(NCc1ccccn1)c1ccc(S(=O)(=O)N2CCCC2)o1 32152564 UDPFTGHUMSPOIQ-UHFFFAOYSA-N 335.385 1.389 0 40 EDAB COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCN2C(=O)NC[C@@H]2C1 120780649 HGYUOMYPCITXBV-CHWSQXEVSA-N 332.404 1.484 0 40 EDAB O=C(O)CN1C(=O)N/C(=C/c2ccccc2Br)C1=O 212535636 ZYGPQPCSJXNXQV-WEVVVXLNSA-N 325.118 1.426 0 40 EDAB Cc1cc(CN(C)CC(=O)N2CCN(c3ccccc3F)CC2)no1 31656397 SPJFQLTYKRUGAW-UHFFFAOYSA-N 346.406 1.903 0 40 EDAB COc1cc2c(=O)n(C(C)C)c(=O)n(CCCN(C)C)c2cc1OC 71283927 UJGWCBDSOAMCRF-UHFFFAOYSA-N 349.431 1.713 0 40 EDAB CO[C@@H](C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1 78986847 BXGVSMYBEUSXRS-VXGBXAGGSA-N 330.306 1.654 0 40 EDAB Cn1cc(NC(=O)/C=C/c2cnc(C(C)(C)C)s2)c(=O)n(C)c1=O 74955175 DTQXFKDSHOHFDK-VOTSOKGWSA-N 348.428 1.490 0 40 EDAB CCOC(=O)N1CCN(CC(=O)Nc2c[nH]c3ccccc23)CC1 72404545 RVAOKZIFUSBCRO-UHFFFAOYSA-N 330.388 1.881 0 40 EDAB COc1cccc(OC)c1CNC(=O)c1cnc2sccn2c1=O 223034349 BFQJYHWUJTVYND-UHFFFAOYSA-N 345.380 1.703 0 40 EDAB COc1ccc(C)cc1N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O 225192599 GFVXPMMTWYTSRS-ZDUSSCGKSA-N 342.461 1.930 0 40 EDAB C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1c(F)c(F)cc(F)c1F 225754658 ADZUFGFRACLHID-PWCHPLFNSA-N 343.298 1.061 0 40 EDAB COc1cccc(OC)c1CCC(=O)NCCSc1ncn[nH]1 225993101 UTULAXZUEHNJII-UHFFFAOYSA-N 336.417 1.663 0 40 EDAB Cc1nc(Br)sc1S(=O)(=O)N1CCOCC1 225769154 OCVIPOYUZKRGSI-UHFFFAOYSA-N 327.225 1.235 0 40 EDAB CN1CCN(c2ccc(N(C)C(=O)C(F)(F)F)cc2C(N)=O)CC1 226279379 JMKLASNEJMYQBV-UHFFFAOYSA-N 344.337 1.062 0 40 EDAB COc1ccc(C2=NO[C@@](C)(C(=O)NCCCn3cccn3)C2)cc1 96192751 UKUSQPAKUUXWRC-GOSISDBHSA-N 342.399 1.981 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1cncc(F)c1 330735938 MZUREJUGSFPFTM-FZMZJTMJSA-N 343.424 1.602 0 40 EDAB Cc1ccc(-n2cc(C(=O)N[C@@H]3CCc4nc(C)cn4C3)nn2)cc1 97198827 QALLKBOMNZXFTK-CQSZACIVSA-N 336.399 1.825 0 40 EDAB C[C@H](O)CNC(=O)CN1C(=O)c2ccccc2Oc2ncccc21 96118896 UUBLWTQKPCIHJC-NSHDSACASA-N 327.340 1.331 0 40 EDAB CNC(=O)CO[C@H]1CO[C@]2(CCCN(C(=O)c3ccc(C)cc3)C2)C1 96222307 OIFLITGWCBXTQX-VQIMIIECSA-N 346.427 1.521 0 40 EDAB Cn1ncc2c1[C@H](COCC1CC1)CN(S(=O)(=O)C1CC1)C2 96198326 TVBWSLQMFKFHMF-ZDUSSCGKSA-N 325.434 1.238 0 40 EDAB CC(C)(C)[C@H](O)[C@@](Cl)(I)S(C)(=O)=O 96520042 QQUXFEBXUJPNCX-CAHLUQPWSA-N 340.610 1.766 0 40 EDAB CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@H](C)Cn2ccnc2)C1 96420667 ZNUKLMCXIJYIQY-HZPDHXFCSA-N 349.479 1.856 0 40 EDAB CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccccc1S(C)(=O)=O 96404109 BRMBYSNAOPGEEY-GFCCVEGCSA-N 348.490 1.099 0 40 EDAB Cc1ccc(OCCC(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)cc1C 583617748 MKIVTEUWYWNZQT-SFHVURJKSA-N 344.415 1.701 0 40 EDAB C[C@@](O)(CN1CCO[C@H](C(N)=O)C1)c1ccccc1C(F)(F)F 96441391 KICPTZLSCQXSRQ-GXTWGEPZSA-N 332.322 1.099 0 40 EDAB Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)no1 96100619 CTPMDZVOPTUXRL-KBXCAEBGSA-N 325.368 1.729 0 40 EDAB O=C(Cc1cccc(I)c1)NCc1cc[nH]n1 96471847 JRCUYNHAEDKPOF-UHFFFAOYSA-N 341.152 1.873 0 40 EDAB O=C(c1cnccn1)N1CCN(Cc2cccnc2)c2ncccc2C1 96198946 YFYQFXZDVPVCDK-UHFFFAOYSA-N 346.394 1.929 0 40 EDAB O=C1CCC(=O)N1CCN1CCN(Cc2ccc(Cl)cn2)CC1 96496428 HEEILZWQPJHJJN-UHFFFAOYSA-N 336.823 1.002 0 40 EDAB O=C1CCCN1Cc1nnc2n1CCN(Cc1ccsc1)CC2 96058966 PBUDBTJFELFIGT-UHFFFAOYSA-N 331.445 1.520 0 40 EDAB CCn1nc(C)cc1C(=O)N1C[C@@H](c2nc(C)no2)C[C@H]2OCC[C@H]21 96041229 GPWLNFNGCVLLPX-GZBFAFLISA-N 345.403 1.690 0 40 EDAB COC(=O)c1ccc(=O)n(Cc2ccn(-c3ccc(F)cc3)n2)n1 96424941 DKZSNOYVFUHEOZ-UHFFFAOYSA-N 328.303 1.403 0 40 EDAB COc1ccc(CCNC(=O)NCc2nn(C)c3c2COCC3)cc1 96104037 YFJWGDOAOBUPED-UHFFFAOYSA-N 344.415 1.543 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2cccnc2OC2CCCC2)CC1 42949276 PSUNCZAALWDIEP-UHFFFAOYSA-N 346.431 1.810 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)CCOc2ccccc2)CCO1 257200093 ABYNAYWVTLNZNG-AWEZNQCLSA-N 328.372 1.428 0 40 EDAB Cc1nnsc1CN(C)C(=O)[C@H]1CN(c2ccc(F)cc2)CCN1 257327933 XDKUIHAUOIZBCS-CQSZACIVSA-N 349.435 1.422 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257297111 RFWZKWGBYIJMKW-HNNXBMFYSA-N 329.356 1.671 0 40 EDAB c1ccc(COC[C@@H]2CN([C@H]3CCOC3)Cc3ccnn3C2)nc1 253588593 JJANFKZRZLXKJJ-QAPCUYQASA-N 328.416 1.716 0 40 EDAB Cn1cc(CN2CCOC[C@H](Cc3nccn4cccc34)C2)cn1 257342626 ZPLXEMULOQICAN-OAHLLOKOSA-N 325.416 1.759 0 40 EDAB CN(C)c1c(Cl)cccc1NC(=O)N1CC(N2CCNC2=O)C1 585119584 MCUFGLYTYYECKI-UHFFFAOYSA-N 337.811 1.647 0 40 EDAB CCCn1nccc1-c1cnc([C@@H]2CCCN2S(C)(=O)=O)cn1 257318211 VMZGLVIIYJWWQF-HNNXBMFYSA-N 335.433 1.847 0 40 EDAB CCOC(=O)c1nn(CC(=O)NC(C)C)c(Br)c1C 585123136 XASKECJQXXZIEL-UHFFFAOYSA-N 332.198 1.655 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2cn[nH]c2)o1 585135139 ZITQRTPJGWGWIH-JTQLQIEISA-N 325.346 1.315 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(CO)cc(CO)c1 585131037 JNJTUSZYDBWRRQ-PIGZYNQJSA-N 329.352 1.838 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1=CCS(=O)(=O)C1 585121744 XXIUBDSTYBFSGR-HNNXBMFYSA-N 348.468 1.464 0 40 EDAB CN(C)Cc1cnn(-c2ccccc2C(=O)NC[C@@H]2CCCO2)c1 257324227 WNSZNKQSPKAVSN-HNNXBMFYSA-N 328.416 1.843 0 40 EDAB COc1ccccc1CCC(=O)N1CCN(C(C)C)[C@H](C(N)=O)C1 257281356 OOUUJMBVTWPZDF-HNNXBMFYSA-N 333.432 1.034 0 40 EDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)c2cccc3c2OCCO3)[C@H]1O 257285631 PIARROLFASUHAR-IIAWOOMASA-N 343.383 1.457 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CC[C@@](O)(CN2CCCC2)C1 257314225 UVXVEHBCQDHGFM-LJQANCHMSA-N 342.443 1.555 0 40 EDAB Nc1nccnc1C[C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 257280525 OLFIVHDSFGZWHM-NSHDSACASA-N 337.387 1.425 0 40 EDAB CO[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)CC[C@@]12CCCO2 257313734 UTXALECYRNHVQZ-IRXDYDNUSA-N 339.457 1.860 0 40 EDAB CC(C)S(=O)(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 1252482009 FXDVTKRBURCSIU-UHFFFAOYSA-N 338.355 1.356 0 40 EDAB CNC(=O)C1CCN(C(=O)c2cc([C@@H]3CCCN3C)ccn2)CC1 257234816 GVFLRHJWZFUPIN-INIZCTEOSA-N 330.432 1.447 0 40 EDAB CCCS(=O)(=O)NC[C@H](Cc1cccc(F)c1)N1CCCC1=O 85467487 RNAHRSQQTBZSTG-HNNXBMFYSA-N 342.436 1.689 0 40 EDAB Cc1nn(C)c(C)c1OCc1nc([C@H]2CC(=O)N(CC3CC3)C2)no1 273946632 MUZZTFWLTKCJML-ZDUSSCGKSA-N 345.403 1.725 0 40 EDAB NC(=O)C1CCC(NC(=O)C2(c3ccccc3)CCOCC2)CC1 591055667 OSXNZSFZUUTBJX-UHFFFAOYSA-N 330.428 1.895 0 40 EDAB C[C@@H](CS(=O)(=O)N(C)C)NC1CCN(Cc2ccccc2)CC1 1616041259 MIFUZXDWVIITOW-HNNXBMFYSA-N 339.505 1.521 0 40 EDAB C[C@H]1CN(C(=O)N[C@H](c2cnn(C)c2)C2(CO)CCC2)C[C@@H](C)O1 1616033690 BLEWOOFCLDZJSD-VNHYZAJKSA-N 336.436 1.443 0 40 EDAB CO[C@@]1(COc2ccccc2C)CCN(C(=O)CN2CCOCC2)C1 585275727 GLQIKWDIBOLZPA-IBGZPJMESA-N 348.443 1.324 0 40 EDAB O=C(NCc1cccc(Cn2cncn2)c1)C(F)(F)Br 58424031 PIXAWSZLNVSMJT-UHFFFAOYSA-N 345.147 1.930 0 40 EDAB CCN1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)C1=O 58910932 REPGJLVZNVYQEE-UHFFFAOYSA-N 344.198 1.623 0 40 EDAB CS(=O)(=O)c1ccc([C@@H](O)CN2CCC[C@@H]2Cn2cccn2)cc1 69659167 HXNJMIMWLUIMMB-WBVHZDCISA-N 349.456 1.485 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@H]1C[C@H]1c1ccc(OC)cc1)C2 69922939 YEZYWPJRGZMHHI-GJZGRUSLSA-N 326.400 1.995 0 40 EDAB O=C(Nc1ccc2c(c1)CCO2)[C@H]1CC(=O)N(CC(F)(F)F)C1 75901469 HBKNXEZVIBHSBV-JTQLQIEISA-N 328.290 1.971 0 40 EDAB Cn1cc(Br)cc1C(=O)NCCn1cnnc1C1CC1 76066121 WEQGDLXPVJDIMS-UHFFFAOYSA-N 338.209 1.687 0 40 EDAB O=C(c1ccn2ccnc2c1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 95450422 IGPHWTWREISSGJ-GDBMZVCRSA-N 338.411 1.950 0 40 EDAB Cc1ccc(C)n1-c1sccc1C(=O)N1C[C@]2(CO)C[C@]2(CO)C1 1615546686 BSRIGAWITDFZCS-HDICACEKSA-N 346.452 1.973 0 40 EDAB Cc1nn(CCO)cc1CN1CCCN(C(=O)OCC(C)C)CC1 1615548642 HEGAPSZQJSYZQX-UHFFFAOYSA-N 338.452 1.484 0 40 EDAB Cc1ccc(C2(O)CCN(CCNC(=O)c3cc[nH]n3)CC2)cc1 12147570 ULKNATITWNCXFT-UHFFFAOYSA-N 328.416 1.432 0 40 EDAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@@H]3C1=O 13151303 YYCUEGFWOZNMGC-YKTARERQSA-N 327.380 1.920 0 40 EDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC2CCCCC2)cc1 16322302 KHPKACWLLVLNNT-GFCCVEGCSA-N 340.445 1.811 0 40 EDAB O=C(Cn1cccn1)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225793246 WZZOGNVVVUDRES-UHFFFAOYSA-N 340.431 1.337 0 40 EDAB CCN1C(=O)N/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O 4472480 ZOUZZNMXEQGBPB-MDWZMJQESA-N 327.340 1.727 0 40 EDAB Nc1nc(N)nc(COC(=O)c2ccccc2Cc2ccccc2)n1 6988836 YPXVYYVBSAGPNH-UHFFFAOYSA-N 335.367 1.984 0 40 EDAB CC1CCN(c2nnc(SCC(=O)NC(N)=O)n2C2CC2)CC1 11423402 JRODUUMIOCDZFC-UHFFFAOYSA-N 338.437 1.136 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)Cc1nnc([C@H]2CCOC2)o1 1888875609 QJHWNIUJDLSSLR-ZDUSSCGKSA-N 331.372 1.977 0 40 EDAB O=C(N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O)c1ccccc1 1848354631 CVHNHIVUXXLGIU-BRSBDYLESA-N 327.380 1.748 0 40 EDAB Cc1cccnc1OCC1CCN(C(=O)Cn2ncccc2=O)CC1 1775995967 OWECCISZTCLKHO-UHFFFAOYSA-N 342.399 1.264 0 40 EDAB COc1cc(N2CCN(CCOc3ccccc3)CC2=O)ccn1 1776008804 NZPUWFUFLBMNOW-UHFFFAOYSA-N 327.384 1.818 0 40 EDAB Cc1cc(N2CCO[C@H]3CN(Cc4c(C)nn(C)c4C)C[C@@H]32)ccn1 2056225027 VQFFDMHPQHXTQC-OALUTQOASA-N 341.459 1.830 0 40 EDAB CN(C1CCN(c2nc3ccccc3n2C)CC1)S(=O)(=O)C1CC1 2087146129 JRTFGZVJDTXRLI-UHFFFAOYSA-N 348.472 1.966 0 40 EDAB CC1CC(C(=O)N2CCC3(CC2)COCCN(CCN(C)C)C3)C1 1565542702 WEOFDPOJHGFBMJ-UHFFFAOYSA-N 337.508 1.535 0 40 EDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C(=S)NCc2ccco2)C1 4776334 HHQCQLQBOXVYPS-OLZOCXBDSA-N 329.425 1.935 0 40 EDAB Cc1ccc(N2C[C@@H](NC(=O)NCCCn3ccnc3)CC2=O)cc1 5084249 KMRYOIRFLZAUAR-HNNXBMFYSA-N 341.415 1.686 0 40 EDAB COC(=O)[C@@H](C)n1cnc2c(nnn2Cc2ccc(C)cc2)c1=O 5031885 PYJZZUSLYCVAEY-LLVKDONJSA-N 327.344 1.079 0 40 EDAB CCCC(=O)Nc1sc2c(c1C(=O)NC)CCN(C(=O)OC)C2 5255428 KVDTWRDKIKTVLH-UHFFFAOYSA-N 339.417 1.971 0 40 EDAB CCNc1nc(Cl)nc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 100165357 WZTSFRHAARPTMG-QWRGUYRKSA-N 346.822 1.742 0 40 EDAB CCOc1ccccc1S(=O)(=O)NCCn1ccn2nccc12 206746371 RLQLAJIKGYVGMK-UHFFFAOYSA-N 334.401 1.513 0 40 EDAB Cc1nc(CN2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)no1 346813122 GHVKRIJOTMFHHJ-UHFFFAOYSA-N 340.431 1.856 0 40 EDAB COC(=O)c1ccc(C(=O)NC2CCN(c3cnsn3)CC2)cc1 575615913 JGUXSTBPELGUGC-UHFFFAOYSA-N 346.412 1.724 0 40 EDAB COc1ccccc1OS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1C 11635288 VABBVQKTDYHOQB-UHFFFAOYSA-N 334.353 1.941 0 40 EDAB CCCc1noc(CS(=O)(=O)CC(=O)NC2CCC(C)CC2)n1 40106352 XTLOLQXEGZJKFV-UHFFFAOYSA-N 343.449 1.632 0 40 EDAB COC(=O)c1cccc2c3c([nH]c12)CCN(C(=O)[C@H]1COCCO1)C3 31226102 ROTAUSDTYAOAET-OAHLLOKOSA-N 344.367 1.255 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 31613369 OVDQTPBLPXMDDX-HONMWMINSA-N 336.413 1.198 0 40 EDAB CN(C)c1ncccc1C(=O)N[C@H]1CCCN(c2ncccn2)C1 40553782 FBYRJIVDALHYOQ-ZDUSSCGKSA-N 326.404 1.336 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)Cc1ccccc1F 40528436 SNUNFPNIVFCMQC-YPMHNXCESA-N 329.393 1.424 0 40 EDAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCCO 32721882 IRJQPSIKNHSCKS-DZPQGLOJSA-N 336.476 1.842 0 40 EDAB C[C@@H](NC(=O)NCc1ccnc(N(C)C)c1)C(=O)NCc1ccco1 69772405 JVFBRMYAIQBUGU-GFCCVEGCSA-N 345.403 1.245 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)CCO1 69705863 SMPPFZBBCCYISM-MJBXVCDLSA-N 328.409 1.165 0 40 EDAB Cc1nsc(NC(=O)c2cnn3cc(Br)cnc23)n1 91983155 RJJKPYFKARTOCB-UHFFFAOYSA-N 339.178 1.904 0 40 EDAB O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1cc(F)ccc1F 21577408 IKJPEAHLYQNAOJ-UHFFFAOYSA-N 331.282 1.346 0 40 EDAB CC(C)CN1CCO[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2)C1 32825837 QNRDYVFKQJAFPP-INIZCTEOSA-N 344.452 1.602 0 40 EDAB COc1ccc(C(=O)NCc2ccc(Cn3cncn3)cc2)c(O)c1 32868920 GHJXSGMRLMZYER-UHFFFAOYSA-N 338.367 1.971 0 40 EDAB Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N1CCNC(=O)[C@@H]1C 78789820 SRHOHDULEMEWGH-LBPRGKRZSA-N 345.378 1.350 0 40 EDAB CCn1ccc(CN(C)C(=O)CCS(=O)(=O)c2ccccc2)n1 2809174 LSLKIOQAAGDLQK-UHFFFAOYSA-N 335.429 1.725 0 40 EDAB CCCC(=O)OC[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 4855102 QCOXYZFUHMUEIC-LPUQOGTASA-N 330.377 1.726 0 40 EDAB COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@@H]1N2C(N)=O 6005838 KNJVSCVZXDFUKO-RFGFWPKPSA-N 332.356 1.317 0 40 EDAB CCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1 6636382 CSNKRHHHZCYBPU-VXGBXAGGSA-N 328.434 1.667 0 40 EDAB COc1ccc(F)cc1CN1CCC(NC(=O)c2cnn(C)c2)CC1 52903894 UHDIIXWDDCILIV-UHFFFAOYSA-N 346.406 1.962 0 40 EDAB CCn1nc(C(=O)N2CCO[C@H]3CCC[C@@H]32)c2ccccc2c1=O 53373978 SCRWCCJNXLLNKJ-GJZGRUSLSA-N 327.384 1.810 0 40 EDAB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2ncnc3c2cnn3C)C1 53579274 DNHLRBIQKRTYST-CHWSQXEVSA-N 330.436 1.885 0 40 EDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(C)C 22961232 YHPIJGLEAOUNTF-INIZCTEOSA-N 338.473 1.925 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)NCCOc1ccccc1 23064856 ICLKNHFLSWRKCE-UHFFFAOYSA-N 329.381 1.653 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccccc1 54392185 KHKLSJTYXBYOAF-HNNXBMFYSA-N 341.415 1.416 0 40 EDAB Cc1sc2ncc(C(=O)N=c3[nH]c4ccccc4[nH]3)c(=O)n2c1C 61720198 XEIJCEJAEVRLKV-UHFFFAOYSA-N 339.380 1.923 0 40 EDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1c(F)cccc1F 47636329 YSTKTUJRWNWSFM-IUODEOHRSA-N 340.370 1.432 0 40 EDAB NC(=O)CCCNC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1 42925677 LJIQZOGSTSMSLZ-UHFFFAOYSA-N 338.429 1.155 0 40 EDAB CCOc1ccc(NC(=O)[C@@H](Cc2cccnc2)c2nnn[nH]2)cc1 57523496 HAOKZXSCTGBAGP-HNNXBMFYSA-N 338.371 1.958 0 40 EDAB CNC(=O)c1ccc(OC)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 71817307 YUAYCWNGWXSWOR-NEPJUHHUSA-N 332.356 1.660 0 40 EDAB COCCOc1ccc([C@@H](C)N2C(=O)[C@@H](C)NC2=S)cc1OC 55179225 URSGCSDCEXPJEK-GHMZBOCLSA-N 338.429 1.887 0 40 EDAB Cn1c2c(c(=O)n(C)c1=O)[C@H]1c3cc(Cl)ccc3OC[C@@H]1CO2 1391784 KVZJLVOIDJMGOM-PRHODGIISA-N 334.759 1.270 0 40 EDAB CC[C@H]1CN(Cc2nc(N)c3ccccc3n2)CCN1C[C@H](C)O 106869454 ZOFNATCENBYGEA-KBPBESRZSA-N 329.448 1.489 0 40 EDAB CCc1ncncc1C(=O)N1CCN(Cc2csc(C)n2)CC1 56465655 AOCHDOWKWIEYNY-UHFFFAOYSA-N 331.445 1.762 0 40 EDAB Cn1c(SCC(=O)NC[C@@H]2CCCO2)nc2ccsc2c1=O 26099719 LSTDEFWHBQTGIS-VIFPVBQESA-N 339.442 1.382 0 40 EDAB Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)CC[C@H]2NC(=O)NC2=O)c1 27080776 NPQOEXNGZGAJCR-NWDGAFQWSA-N 347.371 1.162 0 40 EDAB COc1ccccc1[C@@H](NC(=O)NC[C@H]1CCOC1)c1nccn1C 48284400 VVNSEXTUPDDZCP-CZUORRHYSA-N 344.415 1.854 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)C2CCN(c3ncccn3)CC2)C1 44534502 LZPCYTIKNSPNFU-HZPDHXFCSA-N 345.491 1.787 0 40 EDAB CS(=O)(=O)Nc1ccc(C(=O)n2nc(N)c3ccccc32)cc1 57963908 CPDJMZRZQCEGMD-UHFFFAOYSA-N 330.369 1.679 0 40 EDAB Cc1nc2ccccc2nc1CN1C(=O)NC2(CCOCC2)C1=O 57947705 KHNFOVKMODZOQT-UHFFFAOYSA-N 326.356 1.539 0 40 EDAB Cc1ccc(C(=O)C(=O)NCCc2nnc(S)n2C(C)C)cc1 109057196 NREJBVBSJYHYEX-UHFFFAOYSA-N 332.429 1.998 0 40 EDAB CCCCC[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCSC2)C1=O 27491406 OJFBXNDLIGSFHG-XHDPSFHLSA-N 327.450 1.499 0 40 EDAB CCOc1ccccc1OCC(=O)N1CCC[C@H]1C(=O)NC1CC1 44889174 RDMFJHJQTFMDSM-AWEZNQCLSA-N 332.400 1.734 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 44971850 ISLJKRFPLQWMAH-AWEZNQCLSA-N 329.408 1.021 0 40 EDAB Cn1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)cc1=O 44915393 BRXXNMGZUJYGNH-ZDUSSCGKSA-N 334.759 1.985 0 40 EDAB O=c1oc(-c2ccccc2)nn1CCS(=O)(=O)c1ccccc1 58343097 GFSIPSIVPOQOBJ-UHFFFAOYSA-N 330.365 1.977 0 40 EDAB CC(C)c1n[nH]c(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 12751123 HAFALETWBQPXEL-ZJUUUORDSA-N 346.478 1.054 0 40 EDAB COc1ccc(C(=O)NCCCNC(=O)c2cccc(O)c2)c(O)c1 58407221 GAEHTORJPJAQBR-UHFFFAOYSA-N 344.367 1.656 0 40 EDAB CC(C)C[C@H](NC(=O)CCCn1nnc2ccccc2c1=O)C(=O)O 2352797 BYKCCYUNJRLWJN-AWEZNQCLSA-N 346.387 1.187 0 40 EDAB COC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C(=O)OC 36558982 LMYZZFMHOYGRJD-FQUUOJAGSA-N 327.421 1.916 0 40 EDAB biogenic,in-vitro Cc1ccc(CNC(=O)NC2CCN(c3ncccn3)CC2)cn1 45710153 NAGHLDXHEUQCKX-UHFFFAOYSA-N 326.404 1.648 0 40 EDAB CCOC(=O)c1sc2nc(C)nc(N(C)CC(=O)NC)c2c1C 18057208 SWIBYYGEIAMXAD-UHFFFAOYSA-N 336.417 1.667 0 40 EDAB CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2Cc2ccccc2)C1 306146019 ZKHOHYXWIJTJSK-UHFFFAOYSA-N 331.416 1.608 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2CCCS(=O)(=O)N(C)C)n1 69875195 PTSHVCPTDKGBJM-OAHLLOKOSA-N 343.497 1.031 0 40 EDAB Cc1ccccc1-c1noc(CN2CCO[C@H](Cn3cncn3)C2)n1 69969154 RMKLXWDDCMAEEF-AWEZNQCLSA-N 340.387 1.538 0 40 EDAB Cc1cnn(-c2ccc(C(=O)N3CCN(CC(C)(C)O)CC3)cc2)c1 69922981 JBKSRJPHOVJWGJ-UHFFFAOYSA-N 342.443 1.709 0 40 EDAB CC1CCN(CCCNC(=O)NCC[S@](=O)C(C)(C)C)CC1 69948918 SRVFNXVRKOBFTG-JOCHJYFZSA-N 331.526 1.955 0 40 EDAB CCN1CCN(C2CCN([C@H](C)C(=O)NCc3ccco3)CC2)C1=O 69927991 BBHUBPKLJGTNGI-CQSZACIVSA-N 348.447 1.506 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCCC[C@H]3Cn3cccn3)nc2n1 69968115 PXUPXBWVTMKYPM-AWEZNQCLSA-N 339.403 1.633 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@@H]2C(=O)NCc2ccco2)n(C)n1 71904909 KEROMBNIGXNEDI-CQSZACIVSA-N 345.403 1.041 0 40 EDAB COc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C 4249422 DIODBYPHDYKZAB-SNVBAGLBSA-N 341.371 1.220 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)NC2(CCCC2)C1=O 5293166 PVNRNJHWNMANLA-LBPRGKRZSA-N 327.384 1.829 0 40 EDAB CCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 65476166 QEFQQRSJGPONGS-CQSZACIVSA-N 342.443 1.840 0 40 EDAB CC(C)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(Cl)cc1 14068014 DMADHBKYEHNVGV-LBPRGKRZSA-N 325.796 1.229 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)n1 65514763 OPYWTNDXPYRGMY-HZPDHXFCSA-N 338.411 1.938 0 40 EDAB O=C(CS(=O)(=O)NC[C@H]1CCCO1)NCc1ccc(Cl)cc1 65585082 WAFMSEIWCWUVHO-CYBMUJFWSA-N 346.836 1.055 0 40 EDAB NC(=O)CN1CCC(NC(=O)CCc2nc3ccccc3s2)CC1 14168733 HWJCNGNEVMPNOI-UHFFFAOYSA-N 346.456 1.295 0 40 EDAB CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 14111866 JZRMZJHHMGBKPJ-UHFFFAOYSA-N 348.827 1.968 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1cccs1 14244076 ARRPYQJOJKORHK-VIFPVBQESA-N 340.426 1.895 0 40 EDAB Cn1cccc(NC(=O)C(=O)N(Cc2ccccc2F)C2CC2)c1=O 119603284 HUACKBRQXYWEJQ-UHFFFAOYSA-N 343.358 1.654 0 40 EDAB Cc1noc(C)c1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 8937764 PPOPVLLPQXTBTO-UHFFFAOYSA-N 334.376 1.510 0 40 EDAB Cc1ccc(OC[C@H](C)NC(=O)N(C)[C@H](C)CS(C)(=O)=O)cc1 69932847 OUSJKZSKVOQQIK-UONOGXRCSA-N 342.461 1.837 0 40 EDAB CC(C)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CC2)cc1 67896634 AWCJVOGWFXYSTI-SJLPKXTDSA-N 346.427 1.952 0 40 EDAB biogenic,in-vitro CN1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 22912847 WDBVQMHVYVGECZ-UHFFFAOYSA-N 333.457 1.366 0 40 EDAB CCn1nc(C)c(CNC(=O)NCc2cccnc2N(C)C)c1C 67389824 KQSBNRKRUAANRS-UHFFFAOYSA-N 330.436 1.980 0 40 EDAB O=C(NCc1ccc2c(c1)OCCO2)c1n[nH]c(=O)c2ccccc12 15557453 HDTDXSKXAVJRLO-UHFFFAOYSA-N 337.335 1.624 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 15615169 ABJZELHSDJXZBV-LLVKDONJSA-N 329.356 1.338 0 40 EDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1 16093122 MJNNZFGZTBUCGH-JTQLQIEISA-N 332.809 1.699 0 40 EDAB Cn1c(CCCNc2ncccc2S(N)(=O)=O)nc2ccccc21 81009151 WPRUPDNNWQORDQ-UHFFFAOYSA-N 345.428 1.660 0 40 EDAB CCNC(=O)CN(Cc1ccco1)S(=O)(=O)c1cccc(C)c1 7814670 XIYAMQAATCTXJV-UHFFFAOYSA-N 336.413 1.915 0 40 EDAB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 8118376 SIBDDIMFPLTNDG-BBRMVZONSA-N 336.457 1.079 0 40 EDAB O=C1COc2ccc(C(=O)CSc3nnnn3C3CC3)cc2N1 8232168 UMKMWWOCFVMNRU-UHFFFAOYSA-N 331.357 1.314 0 40 EDAB Cc1nnc2n1CCN(Cc1nc3ccc(Cl)cc3c(=O)[nH]1)C2 69454419 LUSPJTJKMBZTGD-UHFFFAOYSA-N 330.779 1.492 0 40 EDAB COCCCNC(=O)NC[C@H](O)COc1cccc2ccccc12 69416755 SMZQTDIELSEEGW-HNNXBMFYSA-N 332.400 1.915 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1csc(-c3ccccn3)n1)C2 69453519 IHMCUYGEXAPGGG-UHFFFAOYSA-N 326.385 1.761 0 40 EDAB O=C(COC1CCCCC1)NCCCNC(=O)c1cccc(O)c1 69513502 QPLDOMXZOTXJKZ-UHFFFAOYSA-N 334.416 1.978 0 40 EDAB CN(C)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)cn1 69517542 BCEXXZFUQGQJDN-QGZVFWFLSA-N 326.444 1.937 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCc2ncn(C)n2)[C@H]1c1cccc(Cl)c1 91869491 KABSGOWLYXTGSD-IUODEOHRSA-N 347.806 1.304 0 40 EDAB Cn1cnnc1SCCC(=O)N1CCN(c2ccccn2)CC1 69741615 GKHIHZILIOIXGI-UHFFFAOYSA-N 332.433 1.041 0 40 EDAB Cc1cc(OCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)no1 9710412 PKORZZJXPRKSHO-UHFFFAOYSA-N 340.343 1.989 0 40 EDAB Cc1ccc(C)c(-n2cnc(=O)n2CCCS(=O)(=O)C(C)C)c1 97085713 MKYUGSARKMZSFT-UHFFFAOYSA-N 337.445 1.864 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H]1CCOC2(CCOCC2)C1 97019218 QLBJLMHADQUELS-XHSDSOJGSA-N 341.448 1.805 0 40 EDAB OC[C@H]1CCCN1c1cc(N2CCN(c3ccncc3)CC2)ncn1 72276016 QPGSQMSFLDUKOP-MRXNPFEDSA-N 340.431 1.159 0 40 EDAB COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@@H]1c1ccc(OC)cc1 72314035 ICTRZHZGULQOHY-SWLSCSKDSA-N 341.429 1.971 0 40 EDAB C[C@@H]1CC[C@H](CCC(=O)NCCn2ncc3ccccc3c2=O)O1 95404305 ZBMYQKWKGZNHKG-UKRRQHHQSA-N 329.400 1.860 0 40 EDAB O=C(CCn1ccc2cc(Cl)ccc21)NCCc1n[nH]c(=O)[nH]1 95443140 CYTMYFFOKXJQNY-UHFFFAOYSA-N 333.779 1.455 0 40 EDAB Cc1cscc1C(=O)NCCNS(=O)(=O)Cc1ccccc1 95407858 MQOFBIFERZYWGY-UHFFFAOYSA-N 338.454 1.906 0 40 EDAB Cn1c(C(=O)N[C@H]2CCCS(=O)(=O)C2)ccc1-c1ccccc1 95401890 UXTYVUSUBRDPAC-AWEZNQCLSA-N 332.425 1.999 0 40 EDAB COc1ccc(-c2cnc(Cn3cc(Cl)c(=O)[nH]c3=O)o2)cc1 85253857 ZGEWMAKMRVKLTQ-UHFFFAOYSA-N 333.731 1.902 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCN(Cc3ccco3)CC2)cs1 95949107 OVOVVVAPGVXDKG-UHFFFAOYSA-N 334.401 1.653 0 40 EDAB C[C@H]1OCC[C@@H]1NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 89592529 HTQCLJCNDKTLPG-CJNGLKHVSA-N 337.851 1.756 0 40 EDAB O=C(CN1CCC[C@H]1C(=O)O)NCCOc1cccc(Cl)c1 89774672 LPGVUYXOAVZSNY-ZDUSSCGKSA-N 326.780 1.384 0 40 EDAB O=C1NC[C@@H](C(=O)NCc2cccc(COCc3ccco3)c2)N1 89774560 UDXDCCDPCFFKHO-HNNXBMFYSA-N 329.356 1.294 0 40 EDAB CC(C)CSC[C@@H]1O[C@@H](n2cnc3c(N)nccc32)[C@@H](O)[C@@H]1O 22912955 XDBKDRRIZBSEDB-QMPIGLIWSA-N 338.433 1.022 0 40 EDAB in-vitro CC1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 22517143 QEDMTGKAPGCSIJ-HNNXBMFYSA-N 338.429 1.472 0 40 EDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)Cc1cccc(F)c1 548203927 ZCTRDYKBZHRFQW-ZWNOBZJWSA-N 331.365 1.125 0 40 EDAB CN(C)C(=O)N1CCC2(CC1)CN(C(=O)C1CC1)Cc1cn(C)nc12 306135251 OLUIWTXYHIIEQE-UHFFFAOYSA-N 345.447 1.188 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2ccco2)[C@H]1c1cccc(F)c1 72241706 SYJBQUWVGNUYGP-CVEARBPZSA-N 332.331 1.633 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(SC)nc2)o1 78665069 KAFSGORITQYPOX-UHFFFAOYSA-N 328.371 1.984 0 40 EDAB COc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCCc2occc21 1565522970 DGHHHVHOQNJIPB-GOSISDBHSA-N 344.367 1.567 0 40 EDAB Cc1cc(N2CCC(C(=O)NC3CCCC3)CC2)n2ncnc2n1 35311993 GMYKAQATMRNAAC-UHFFFAOYSA-N 328.420 1.708 0 40 EDAB CN(C)[C@H]1CN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)C[C@@H]1O 560636102 SMDBOKDMOHOHEF-STQMWFEESA-N 336.342 1.102 0 40 EDAB C[C@@H](CNC(=O)Cn1ccccc1=O)N1CCc2sccc2C1 32817162 XGTVLDMZQYRYOI-ZDUSSCGKSA-N 331.441 1.473 0 40 EDAB Cc1nc(NCc2ccccc2)cc([C@@H]2CN(CCO)CCO2)n1 72387685 DFLJXFXPAWEQAU-KRWDZBQOSA-N 328.416 1.763 0 40 EDAB C[C@H](N)C(=O)N(C)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79393092 OERQWKFTWWGTTF-HOCLYGCPSA-N 333.432 1.841 0 40 EDAB O=C(CSc1ccc(F)cc1)N1CCN(CCn2ccnc2)CC1 75158023 QCWIZHXZGSEBNP-UHFFFAOYSA-N 348.447 1.959 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)c3cc4cc(Cl)ccn4n3)CCO2)n1 225805182 LALULQHGFZNKMB-CYBMUJFWSA-N 346.778 1.628 0 40 EDAB O=C(Nc1ccc(Cn2cccn2)cc1)N[C@H]1CCc2ncnn2C1 131689161 UMZPORWGLKMCSF-HNNXBMFYSA-N 337.387 1.659 0 40 EDAB C[C@@]1(C(=O)NCCn2cccn2)Oc2ccc(Cl)cc2NC1=O 41549000 JNKNEOQKYYQPJQ-HNNXBMFYSA-N 334.763 1.443 0 40 EDAB COC[C@H]1C[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O 225505732 GAMPAKKNIRVLHO-STRQVWJDSA-N 348.321 1.584 0 40 EDAB biogenic,in-vitro CNC(=O)[C@@H](C)CN(C)C(=O)Nc1cccc(-c2nccn2C)c1 81625097 CCWFVVZPCLYJFR-LBPRGKRZSA-N 329.404 1.933 0 40 EDAB Cn1nc2c(cc1=O)C[C@H](C(=O)Nc1ccc3c(c1)OCCO3)CC2 238817726 BWKJWTZHZXPFIE-LLVKDONJSA-N 341.367 1.295 0 40 EDAB C[C@@H]1N(CCN(C)C)C(=O)COC12CCN(C(=O)c1ccoc1)CC2 96201535 APNDJRRRQDZEEG-AWEZNQCLSA-N 349.431 1.063 0 40 EDAB Cc1cc(CN(C)CCN2CCCC2=O)nc(N2CCCCC2)n1 195558413 JILJBXYOBOIWGE-UHFFFAOYSA-N 331.464 1.830 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F 96444739 XMIPXQZECLDCJY-GXFFZTMASA-N 346.399 1.609 0 40 EDAB Cn1ccnc1C(=O)N[C@@H]1CN(Cc2ccoc2)[C@@H]2CCCO[C@H]12 96056349 ANYWQVMLMZMLOX-RBSFLKMASA-N 330.388 1.175 0 40 EDAB COCCn1c2c(ccc1=O)C[C@@H](NC(=O)c1ccc(C)nc1)CC2 96189675 SZBKFIXFGDQAAB-INIZCTEOSA-N 341.411 1.485 0 40 EDAB Cc1ccc(N2C[C@]3(CCN(S(=O)(=O)C4CC4)C3)CC2=O)cc1 96238468 WRSSGDOBJVUAPF-QGZVFWFLSA-N 334.441 1.916 0 40 EDAB COc1ccc(Br)cc1CC(=O)NN1CCOCC1 96435954 XQAMFVNDNRRWST-UHFFFAOYSA-N 329.194 1.364 0 40 EDAB CC(C)C(=O)N1CCN(Cc2cccs2)C[C@]2(CC(=O)N(C)C2)C1 97952743 PEFFPHAECLPPDW-GOSISDBHSA-N 349.500 1.897 0 40 EDAB Cc1ccc([C@@H]2[C@@H](C(=O)NCc3cnn(C)c3C)CC(=O)N2C)cc1 96181231 AZXNKUZQTWKSGR-FUHWJXTLSA-N 340.427 1.873 0 40 EDAB CN(C)S(=O)(=O)CC(=O)N1CC=C(c2ccccc2Cl)CC1 97372605 AXSITOMVUNPQJF-UHFFFAOYSA-N 342.848 1.847 0 40 EDAB C[C@H]1N=C(O)c2ccccc2N(CC(=O)NCc2ccco2)C1=O 97531302 ULCSOIYVNONDGK-LLVKDONJSA-N 327.340 1.636 0 40 EDAB O=C(C[C@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@H]21)N1CCCCO1 96208145 XEOTZCWFDUICGL-KZNAEPCWSA-N 345.443 1.863 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCOC[C@@H]1c1ccccc1 96433041 AAPLMXCVHDTTRU-GOSISDBHSA-N 349.390 1.997 0 40 EDAB Cc1nc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccco3)C2)cs1 96206912 OGCCETJPENWFQL-DYVFJYSZSA-N 347.440 1.923 0 40 EDAB CN(C)C[C@H]1CO[C@]2(CCCN(C(=O)c3cnc4ccccn34)C2)C1 96090135 CRZMAJAHDSODAQ-HNAYVOBHSA-N 342.443 1.907 0 40 EDAB O=C(COc1ccccc1F)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 96414079 NAWRAWQBDLKYMJ-SECBINFHSA-N 334.269 1.484 0 40 EDAB NC[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242688577 VTFMVLIRCLWHFQ-INMHGKMJSA-N 349.383 1.795 0 40 EDAB C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)[C@@H](C)C1 249155246 WKUXRZXMSSYCKP-OFVDUGFESA-N 328.456 1.804 0 40 EDAB c1nc(N2CCN3CCC[C@H]3C2)cc(N2CCN3CCC[C@@H]3C2)n1 249293490 LQVNAFFKDGYLOA-IYBDPMFKSA-N 328.464 1.045 0 40 EDAB CN(C)CCO[C@@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1ccc(F)cc1)C2 247967273 GTNPARHOQQJJJQ-APHBMKBZSA-N 342.436 1.555 0 40 EDAB CNc1nc(C2CCN(C(=O)c3cnccn3)CC2)cn2nccc12 257212225 CCKOYMHXRPXIHS-UHFFFAOYSA-N 337.387 1.581 0 40 EDAB CNC(=O)[C@]1(CC2CCN(C(=O)OC(C)(C)C)CC2)CCCN1 257199634 AAFBACSFBAOOGK-QGZVFWFLSA-N 325.453 1.892 0 40 EDAB COc1ccccc1[C@H]1Cn2c(C)cnc2CN1C(=O)CNC(C)=O 257337447 YSUGJIIOTMFEGS-OAHLLOKOSA-N 342.399 1.420 0 40 EDAB CN1CCN(C[C@]2(O)CCN(C(=O)/C=C/c3ccccc3F)C2)CC1 257297530 RHQZPHCMXRJXIB-OVKVCFKUSA-N 347.434 1.050 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2ccno2)CC1 257331396 XSRFEGQHLOKLMG-UHFFFAOYSA-N 329.360 1.121 0 40 EDAB CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)c2ccnnc2)C1 257237878 HIPZRIXJBWMVBC-ZDUSSCGKSA-N 326.404 1.428 0 40 EDAB CN(C)c1cccc([C@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 257243892 IJAIUDROUOMKNA-OAHLLOKOSA-N 339.461 1.793 0 40 EDAB O=C(CCn1ccnc1)N1C[C@H]2CC[C@@H](Nc3cccnn3)[C@H]2C1 257321447 WBSHXTXGMSOUKO-QLFBSQMISA-N 326.404 1.412 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)c2cnc3ccccc3c2)CCO1 257226976 FNBHUZKRGRICSY-OAHLLOKOSA-N 335.367 1.821 0 40 EDAB Cc1nc(-c2nccn2C)cc([C@H]2CCCCN2S(C)(=O)=O)n1 257230099 GAVGMPITLUKCPB-CQSZACIVSA-N 335.433 1.672 0 40 EDAB O=C(c1ncc[nH]1)N1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1 257291970 QJLJEGOPUULXIP-LPHOPBHVSA-N 340.427 1.651 0 40 EDAB CCn1cc(CN2CCC3(CC2)C[C@H](O)C(C)(C)N(C(C)=O)C3)cn1 257247373 IYTACCHWXDCEHW-KRWDZBQOSA-N 348.491 1.877 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)CC 252515976 PACMMUHJVBRHGH-GZBFAFLISA-N 329.393 1.234 0 40 EDAB O=[S@@]1C[C@@H]2C[C@H]1CN2C[C@@H](O)Cc1ccccc1C(F)(F)F 593102410 WOMAHFDRLIQNQL-RYMVTTGASA-N 333.375 1.814 0 40 EDAB CCN(CCNC(=O)[C@H]1CCCCN1C(C)C)c1ccnc(C)n1 1100614108 YXFMVGDTVWDNJW-MRXNPFEDSA-N 333.480 1.990 0 40 EDAB CNC(=O)[C@H](O)CNc1nnc(-c2ccccc2)cc1C(F)(F)F 1615583308 CDOLDSLVBINFBJ-GFCCVEGCSA-N 340.305 1.681 0 40 EDAB O=C(c1cnc(I)c(O)c1)N1CCCOCC1 585140508 GFPKGUABYDSLMS-UHFFFAOYSA-N 348.140 1.254 0 40 EDAB COCCNC(=O)c1cn2c(n1)[C@H](C)N(C(=O)CCC(C)C)CC2 585096317 HWXCEAAYEIETDY-ZDUSSCGKSA-N 336.436 1.599 0 40 EDAB Cn1cnc2c1C[C@H](CN1CCOCC1)N(C(=O)C1=CCCC1)C2 585094910 TZGAFJQLRPJLNC-OAHLLOKOSA-N 330.432 1.116 0 40 EDAB CC(C)CCNC[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O 585289815 KGTAXPJFAFWFDZ-ICSRJNTNSA-N 348.487 1.579 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)COc2cc(C)ccc2Cl)[C@@H]1O 585286549 KTJGYNCBXJUTOO-XPKDYRNWSA-N 343.807 1.260 0 40 EDAB Cc1cccc(OC[C@@]2(O)COCCN(Cc3nccn3C)C2)c1 585268855 BLCSLFAZGWIOKZ-SFHVURJKSA-N 331.416 1.371 0 40 EDAB C[C@H]1COCCN1C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 44912560 VUXSGVYZJWRCCJ-RYUDHWBXSA-N 338.429 1.258 0 40 EDAB O=C(CN1C(=O)CCC1=O)N1CCC(COCc2ccccc2)CC1 49028753 CCVRAQAZDNIDIQ-UHFFFAOYSA-N 344.411 1.591 0 40 EDAB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1C[C@@H]1c1cnn(C)c1 69160775 VDCOMRYWLFJZRM-CABCVRRESA-N 325.368 1.900 0 40 EDAB CCC(CC)[C@H](O)CNC(=O)CNC(=O)c1ccccc1Cl 71898207 WLUPBVVDRNFFIZ-CQSZACIVSA-N 326.824 1.983 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)C[C@H]3OCCc4sccc43)CCO2)n1 76045507 ZMSPLKOOYMRPGI-OLZOCXBDSA-N 348.428 1.779 0 40 EDAB O=[S@](CCO)Cc1cc2c(cc1Br)OCCCO2 95993735 JFYAMACHLOHOAG-SFHVURJKSA-N 335.219 1.851 0 40 EDAB CCC(N)(CC)CNS(=O)(=O)c1cnn(-c2ccccc2F)c1 97229434 XWXCFRYHAJOVNT-UHFFFAOYSA-N 340.424 1.807 0 40 EDAB CCC(=O)N1CC[C@@H](NC(=O)c2cccc(OCC(=O)O)c2)[C@H](C)C1 1616040593 VCVOSPKBQARJOP-IUODEOHRSA-N 348.399 1.527 0 40 EDAB CN1CCCC[C@@H]2[C@H]1CCN2C(=O)Cn1c(=O)n(C)c2ccccc21 19712579 ALTSKSXFFQZEJE-GDBMZVCRSA-N 342.443 1.425 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1NCCO 5278395 BHWPGECMVNUZMR-UKRRQHHQSA-N 334.416 1.943 0 40 EDAB C[C@H](NC(=O)C1Oc2ccccc2O1)c1nc(-c2ccncc2)n[nH]1 12197262 PMVWPDZOEZKFDP-JTQLQIEISA-N 337.339 1.841 0 40 EDAB O=C(c1ccco1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 13267415 XKWPMPAMDNYENW-UHFFFAOYSA-N 347.396 1.616 0 40 EDAB CCOC(=O)c1sc2nc(CN3CCOCC3)[nH]c(=O)c2c1C 16940735 VFQBNOMWORSWQX-UHFFFAOYSA-N 337.401 1.302 0 40 EDAB O=C(NCCn1nc([C@H]2CCNC2)c2cccnc21)[C@@H]1CC=CCC1 19346730 RABADMAGKBJXIN-CABCVRRESA-N 339.443 1.981 0 40 EDAB CC(C)CN1C[C@H](C(=O)NCc2ccccc2-n2ccnc2)CC1=O 19447131 LQIYXGOUIWNBCZ-MRXNPFEDSA-N 340.427 1.993 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc2c(c1)CCCO2 19458884 SHRVJFCKNWCGNQ-LLVKDONJSA-N 345.399 1.519 0 40 EDAB CCn1c(CNS(=O)(=O)c2cnn(C)c2C)nc2ccccc21 19524377 MUYXDDQCNDYMEV-UHFFFAOYSA-N 333.417 1.577 0 40 EDAB Cn1cc(C(=O)Nc2ccc([C@H]3CCc4nncn4C3)cc2)ccc1=O 19699146 MLOQJKISJRQCAP-AWEZNQCLSA-N 349.394 1.959 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 607855278 FYXKBVNFELMVEX-INIZCTEOSA-N 336.355 1.475 0 40 EDAB COCCNC(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 225724189 CXNNQENKSLCOKI-UHFFFAOYSA-N 347.341 1.410 0 40 EDAB COCCn1c(=O)[nH]c2cc(C(=O)NCCC(C)C)ccc2c1=O 3906591 BNCZDSSFBWCKGQ-UHFFFAOYSA-N 333.388 1.112 0 40 EDAB NC1(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4cccc(F)c4)CO3)C2)CCCC1 643585966 JCKARASOXOYOQH-ZSZQSSIHSA-N 348.418 1.543 0 40 EDAB Cn1c(N2CC[C@H](C(=O)NC(C)(C)C)C2)nc2ccsc2c1=O 1888913269 QQUDVDAMLGOVPP-JTQLQIEISA-N 334.445 1.736 0 40 EDAB CCN=c1cc(C)nc(N2CCN(c3ncnc4c3CCC4)CC2)[nH]1 1889095563 ZJYIHWZCHPCQEU-UHFFFAOYSA-N 339.447 1.244 0 40 EDAB O=C(O)Cn1c(S)nnc1[C@H]1CC(=O)N(Cc2ccccc2)C1 1889133852 HYVOOOPBGHTGSH-NSHDSACASA-N 332.385 1.168 0 40 EDAB C[C@H]1C[C@H]2NC(=O)C[C@H]2[C@@H]1CNS(=O)(=O)c1ccc(F)cc1F 1775964380 MBBZSNKACGWMJH-MVVXRAEJSA-N 344.383 1.404 0 40 EDAB biogenic,in-vitro CCOc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1 4941485 QJSBVFLNPZAMHQ-HNNXBMFYSA-N 348.399 1.826 0 40 EDAB Nn1c(SCC(=O)Nc2nccs2)nnc1-c1cccs1 5242142 LQBUDZWKWQYAOX-UHFFFAOYSA-N 338.443 1.908 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1n[nH]c(=O)c2ccccc12 5313258 JFHIBEWKTGHOJF-SOFGYWHQSA-N 349.346 1.981 0 40 EDAB CCN1C[C@]2(COCCN(C(=O)c3cc(C)cs3)C2)OCC1=O 2055781546 NGPUEQPVFHGIKO-INIZCTEOSA-N 338.429 1.146 0 40 EDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCOCCn1ccnc1 575618547 BUYPBDFRSWSDIG-CYBMUJFWSA-N 347.371 1.212 0 40 EDAB CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O 13820151 ODAIHABQVKJNIY-QMVSFRDZSA-N 340.420 1.462 0 40 EDAB biogenic,in-vitro OCCn1ncc2c(NC[C@@H]3CCN(c4ccccc4)C3)ncnc21 97200219 DVJMMRSSPFIZHM-AWEZNQCLSA-N 338.415 1.757 0 40 EDAB CC1(C)CC(=O)C(C(=O)CCN2C(=O)COc3ccccc32)C(=O)C1 103502044 LLLDJHFKRXOQOJ-UHFFFAOYSA-N 343.379 1.946 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccncc2Cl)CC1 73071963 IQJSDXJANZVUMT-AWEZNQCLSA-N 336.823 1.289 0 40 EDAB CS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H]2CCCCNC2=O)c1 40025123 MVKZCYZMTWDUIL-LBPRGKRZSA-N 345.804 1.569 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2cscn2)CC1 40466241 QMCQCNAFJGLIPV-INIZCTEOSA-N 345.424 1.627 0 40 EDAB O=C(NCCCN1CCOCC1)[C@H]1Cc2c(ccc3ccccc23)O1 20390159 KYKOQRACRGXGOG-LJQANCHMSA-N 340.423 1.982 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1-n1cccn1 40514133 LKZIZTUOLVMSLE-GFCCVEGCSA-N 345.403 1.797 0 40 EDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1c[nH]ccc1=O 40527850 IKZBVCHAXKIAKI-UHFFFAOYSA-N 333.731 1.392 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1cnn(-c2ccccc2)c1 40554768 PDXRKEZENVLCKV-UHFFFAOYSA-N 330.369 1.298 0 40 EDAB O=C1NCCN1C1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 51449938 MSKCSJBSBJFPEM-HNNXBMFYSA-N 337.395 1.055 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 20943767 RIFOBVWCMPPTNE-GFCCVEGCSA-N 330.306 1.569 0 40 EDAB CCOc1ccc(OCCNC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1 20963662 KAUONAQXLWPCKS-HUUCEWRRSA-N 336.432 1.690 0 40 EDAB Cc1nc2c(cc1C(=O)NC1CCN(C3CC3)CC1)c(C)nn2C 29782898 MMXHDMDYEMDUCM-UHFFFAOYSA-N 327.432 1.942 0 40 EDAB O=C1C[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CN1CC1CC1 46355450 FBPLNWMYYJODQI-NVXWUHKLSA-N 346.402 1.984 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(CC2(O)CCCCC2)C1 84281140 MUZCEVMIHPHOJP-OAHLLOKOSA-N 336.436 1.496 0 40 EDAB Cc1ccc(-c2nnc(CCC(=O)N3CC[C@H](C(N)=O)C3)o2)cc1 41128783 GMCYXHRTIBTQDD-ZDUSSCGKSA-N 328.372 1.311 0 40 EDAB O=C(Nc1nnc(C2CCCCC2)s1)[C@H]1CCS(=O)(=O)C1 32837351 DKOHWSIQZFONBP-JTQLQIEISA-N 329.447 1.959 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCc2ccnc(N(C)C)c2)c1 32831154 ZXAPGOXVXXSLRN-UHFFFAOYSA-N 349.412 1.413 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)Cc3ccn(C(C)C)n3)CCO2)n1 76050317 LTMUFWGZXBKHQS-AWEZNQCLSA-N 346.435 1.677 0 40 EDAB CC[C@@H](COC)NS(=O)(=O)c1cnn(-c2ccccc2F)c1 76062319 NFMULPWWMQVRAV-NSHDSACASA-N 327.381 1.715 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)NCCC3=CCCCC3)CCO2)n1 78879684 FJUGDXLACMWMJA-BBRMVZONSA-N 347.463 1.882 0 40 EDAB COc1cc(C)ccc1OCC(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 78895899 RDQIJVZKSSCBOM-HZPDHXFCSA-N 348.443 1.562 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1F)c1cc2c([nH]c1=O)CCCC2 78973050 FBJMGLUFANBFHF-MRXNPFEDSA-N 330.359 1.856 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)N[C@H]1c2ccccc2C[C@H]1O 78996995 CILXKSMHHOPUGB-WBVHZDCISA-N 346.333 1.469 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2COc3ccccc3C2)C1=O 53045312 PNVCRCXLXPHLQL-ZDUSSCGKSA-N 345.399 1.217 0 40 EDAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)Nc3ncccc3O)cc2)C1 53762503 YATNXPVLGNKVHX-ZDUSSCGKSA-N 340.383 1.741 0 40 EDAB Cc1ccccc1-n1ccn(CC(=O)Nc2ccccc2)c(=O)c1=O 22726041 WHTRIIFLKFSTFP-UHFFFAOYSA-N 335.363 1.946 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)Nc2ccccn2)CC1 47257604 QZGXLRMCUYORFT-QGZVFWFLSA-N 338.411 1.959 0 40 EDAB CN1CC[C@H](NC(=O)NCC2(N3CCCCC3)CCCCC2)C1=O 172514111 DXOXBBPFPGYPAL-HNNXBMFYSA-N 336.480 1.705 0 40 EDAB COc1ccc(-c2nc(CN(C)[C@@H]3CCS(=O)(=O)C3)co2)cc1 42753332 GLAILNSDAADIHF-CQSZACIVSA-N 336.413 1.969 0 40 EDAB Cc1nn(CCCNC(=O)[C@@H]2CCCO2)c(C)c1Br 27928253 SITPMCCHCNGWIO-NSHDSACASA-N 330.226 1.948 0 40 EDAB COC(=O)c1ccnc(N2CCCN(C(=O)c3cccnc3)CC2)c1 55494199 MZCSXZMSWUXOAS-UHFFFAOYSA-N 340.383 1.616 0 40 EDAB CS(=O)(=O)NCCC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 106648527 XRFAYNLRYDCHMG-ZQDZILKHSA-N 328.478 1.743 0 40 EDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@@H]1c1ccc(F)cc1 25443921 QNBIQPICVGGGMQ-CQSZACIVSA-N 328.409 1.253 0 40 EDAB COCCNC(=O)CCNC(=O)C1(c2ccccc2)CCOCC1 56189776 MPZYFJKAVGWNTE-UHFFFAOYSA-N 334.416 1.004 0 40 EDAB Cc1occc1CN(C)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 108456598 XLWMUBXRKHDZDG-YXAMBPQSSA-N 328.368 1.354 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@H]2Cc3ccccc3O2)c1Cl 26865245 PUOFAKXLFIKAED-SNVBAGLBSA-N 327.793 1.356 0 40 EDAB C[C@H](Nc1ccc2c(c1)CCO2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 57896108 IQJKGCRNRLVBKC-FZMZJTMJSA-N 338.429 1.067 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)c1ccc(-n2cncn2)cc1 58009256 BJFLVTWDJVZQFY-UHFFFAOYSA-N 337.387 1.515 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 62001687 ITASIBIOHKWOKH-FDRIWYBQSA-N 330.384 1.151 0 40 EDAB O=C(NC[C@H](O)CN1CCCCC1)Nc1ccc(N2CCCC2)nc1 48086271 SYTFXBIOOLBWTD-INIZCTEOSA-N 347.463 1.650 0 40 EDAB Cc1oncc1C(=O)N1[C@H]2COC[C@H]1CC(Oc1cccnc1)C2 107262284 YUYBVHJTGSUTSH-CHWSQXEVSA-N 329.356 1.829 0 40 EDAB O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ncccc2O)CC1 58244514 PTGYYPKKYNNPSH-UHFFFAOYSA-N 347.321 1.664 0 40 EDAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cccc2c1OCCO2 107715622 FUIGEQRRGZGMSU-YSVLISHTSA-N 333.384 1.866 0 40 EDAB NC(=O)[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccc1 48126781 ADVORFCWRAKIMS-INIZCTEOSA-N 338.342 1.968 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H](C)CN2CCOCC2)n1 44955206 TWWABQHJGQDLAM-UKRRQHHQSA-N 337.468 1.156 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)N3CCOC[C@@H]3C)cn2)CC1 44969129 QKVUVWVHPHBHAP-HNNXBMFYSA-N 347.463 1.154 0 40 EDAB COCCCNC(=O)COc1nc(-c2ccccc2Cl)no1 58357173 ROJZJMKIROHXNL-UHFFFAOYSA-N 325.752 1.922 0 40 EDAB O=C(c1cccc(CNC[C@@H]2CNc3ccnn3C2)c1)N1CCCC1 58309689 NRGLCOKTGOOWNP-MRXNPFEDSA-N 339.443 1.951 0 40 EDAB CN1C[C@@H](NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1=O 58392382 KCIBNZAMHGFKTO-QMMMGPOBSA-N 338.307 1.094 0 40 EDAB COCCN1CC[C@H](CNC(=O)C[C@H](C)NC(=O)c2ccccc2)C1 58432075 MNCULEFYIOJQCG-JKSUJKDBSA-N 347.459 1.280 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)no1 36408780 AJKSEGAJKSXDHM-UHFFFAOYSA-N 346.362 1.519 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCN(CCc3ccncc3)CC2)c1 36446981 FJEHUUIZXAQEJW-UHFFFAOYSA-N 345.468 1.939 0 40 EDAB COc1cc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc(OC)c1 12792522 CAMXUBVIVNIJLZ-ZDUSSCGKSA-N 328.390 1.066 0 40 EDAB O=S1(=O)CC[C@@H](CNCc2cc(Cl)c3c(c2)OCCO3)C1 37982622 IXHPZAICRFVWJC-JTQLQIEISA-N 331.821 1.636 0 40 EDAB CNC(=O)C1CCN(C(=O)NCc2ccc(-n3cccn3)cc2)CC1 48312884 GWOJNZYUHRWWSP-UHFFFAOYSA-N 341.415 1.540 0 40 EDAB CCOC(=O)c1ccc(NCc2ccc(CS(N)(=O)=O)cc2)nc1 29431208 RIEVVKIDTQQJME-UHFFFAOYSA-N 349.412 1.659 0 40 EDAB C[C@H](O)c1ccccc1OCCn1nnn(-c2ccccc2)c1=O 12902251 PAQSKANXGUZYRJ-ZDUSSCGKSA-N 326.356 1.561 0 40 EDAB NC(=O)NC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 13294780 JULHNJYYURZCPW-UHFFFAOYSA-N 346.347 1.242 0 40 EDAB COc1ccc(C2(CNC(=O)[C@@H]3CCC(=O)N3)CCOCC2)cc1 49513298 XLJBJQUIQZXNRV-HNNXBMFYSA-N 332.400 1.138 0 40 EDAB CSCCOC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 6084360 JSXGNOOUNFCPAS-UHFFFAOYSA-N 329.443 1.991 0 40 EDAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccco2)NC(=O)N[C@H]1C 6053451 ZDAWOCYYRMEVCZ-FGEFZZPRSA-N 334.328 1.355 0 40 EDAB COc1ccc([C@@H](C)NC(=O)Nc2cnn(CC(N)=O)c2)cc1F 65410672 FNTWWUJIQQXDIP-SECBINFHSA-N 335.339 1.399 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NCc1ccc(N2CCCC2=O)cc1 65447492 WNWRGFUDPKUOHA-UHFFFAOYSA-N 341.415 1.889 0 40 EDAB Cn1ncc2c(N3CCCN(C(=O)c4ccncc4)CC3)ncnc21 65457675 SMAJRUQPWBCLQC-UHFFFAOYSA-N 337.387 1.111 0 40 EDAB COCCNC(=O)CSCc1nc2sc(C)c(C)c2c(=O)[nH]1 4491575 VFTWSWXFSGJWFX-UHFFFAOYSA-N 341.458 1.597 0 40 EDAB CONC(=O)c1cc(OC)c(OC)cc1I 65594320 HOTGAFXATAQDRF-UHFFFAOYSA-N 337.113 1.600 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N1CCN([C@H](C)c2ccccc2F)CC1 65528924 XOKHNEHXXXSDJY-OLZOCXBDSA-N 336.411 1.348 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1 65512625 PNNHBGLIKNSVAL-GFCCVEGCSA-N 334.372 1.809 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2F)NC(=O)N1 5517841 BMPGZBHMVWXVBV-CQSZACIVSA-N 337.326 1.452 0 40 EDAB Nc1nc(N2CCN(C/C=C/c3ccccc3)CC2)c2nc[nH]c2n1 8992865 MACRNVCZNOTZHV-QPJJXVBHSA-N 335.415 1.771 0 40 EDAB Nc1nc(N)nc(SCCCCN2C(=O)c3ccccc3C2=O)n1 14707471 NWZSNZFTBHCUSG-UHFFFAOYSA-N 344.400 1.205 0 40 EDAB CS(=O)(=O)NCCNC(=O)C1(c2ccc(F)cc2F)CCCC1 90010854 IMEOCGWZPYXMRA-UHFFFAOYSA-N 346.399 1.442 0 40 EDAB COc1ccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1F 67567780 SLNFDNOCWWDLSY-LLVKDONJSA-N 345.396 1.380 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)n(C)c1 67858755 FMIYUHQQSHHVAQ-KGLIPLIRSA-N 333.413 1.219 0 40 EDAB CC(=O)NCCCSc1nnc(SCCCNC(C)=O)s1 67944195 KOVQFMKKUWTDOV-UHFFFAOYSA-N 348.519 1.775 0 40 EDAB CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 16091227 CUGNJVNYWNPOAU-UHFFFAOYSA-N 325.217 1.702 0 40 EDAB O=C(C1CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 8109487 OQPKBZRYVKHLTC-UHFFFAOYSA-N 328.821 1.583 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1S(C)(=O)=O 96000363 AJUNJFJCSTUYKV-HNNXBMFYSA-N 335.429 1.822 0 40 EDAB CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCCO3)C1 69277156 DQDQNZZOMAKKGK-CQSZACIVSA-N 347.415 1.385 0 40 EDAB CC(C)[C@H](C)NC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1 8261944 VOGIQXJLMVTGRR-VHSXEESVSA-N 347.462 1.225 0 40 EDAB Cc1ncc2c(n1)CN([C@H](C)C(=O)Nc1sccc1C(N)=O)CC2 69492725 DDVGBWMJEHLMQA-SECBINFHSA-N 345.428 1.331 0 40 EDAB COC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)c1ccccc1 69490809 JTQZBLQWCHLDLP-RISCZKNCSA-N 346.408 1.897 0 40 EDAB Cc1noc([C@H](C)N[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 69624797 NCMWBVPWSCDOPI-GXFFZTMASA-N 332.408 1.954 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1nnnn1-c1ccccc1)C2=O 17652469 OLNJVFZDAOQHGX-SJCJKPOMSA-N 340.387 1.663 0 40 EDAB CC(=O)N1CCCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 71796191 SSZQYYVNRFIOJG-UHFFFAOYSA-N 332.360 1.343 0 40 EDAB CC(C)(CC(=O)N1CCC(CS(N)(=O)=O)CC1)c1ccccc1 71896185 KIMXLPULNIHWKD-UHFFFAOYSA-N 338.473 1.881 0 40 EDAB COc1ccccc1CC(C)(C)NC(=O)C[C@H]1CCS(=O)(=O)C1 71847666 BAJGZTRPCCODFC-CYBMUJFWSA-N 339.457 1.957 0 40 EDAB CCc1nnsc1C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 71826713 XBOVEVCTHLRUBX-SNVBAGLBSA-N 336.392 1.314 0 40 EDAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCCc1cnn(C)c1 83719155 PMFDUQPTRJYMKE-AWEZNQCLSA-N 331.424 1.477 0 40 EDAB CC1(C)C(=O)NC(=O)N1CC(=O)OCc1cccc2cccnc12 71914245 FMAUEJAKMMIQJR-UHFFFAOYSA-N 327.340 1.608 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@H](CCO)CSC)C2 83970107 BOQIJUBZDLYICC-CHWSQXEVSA-N 325.430 1.477 0 40 EDAB C[C@H](NC(=O)c1cccs1)C(=O)NC[C@H]1COc2ccccc2O1 9836369 RZKHSLQSRPHFHQ-RYUDHWBXSA-N 346.408 1.823 0 40 EDAB COc1ccc(COCC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 72234916 WRSXUMDSOHVORH-OAHLLOKOSA-N 330.388 1.667 0 40 EDAB CNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(-n3cnnn3)c2)c1 72275488 YZZPSHFZRSWPAI-AATRIKPKSA-N 349.354 1.069 0 40 EDAB COc1coc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1=O 72403257 BXVQJKBPMJSGGN-UHFFFAOYSA-N 326.312 1.541 0 40 EDAB CCc1nn(C)cc1CN1CCC(n2cc(C(=O)OC)nn2)CC1 97377072 VHLGRBCQXKXKSN-UHFFFAOYSA-N 332.408 1.198 0 40 EDAB O=C1NC(=O)[C@H](CC(=O)OCc2csc(-c3cccs3)n2)N1 95466494 HYMCFMUAAFPQKQ-QMMMGPOBSA-N 337.382 1.513 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCCNC1=O)c1cnn(Cc2ccccc2)c1 95440782 DXOXVOGCIBGKPN-CZUORRHYSA-N 341.415 1.570 0 40 EDAB Nc1ncc(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2ncc[nH]2)C1 95973112 BKCMGJLQFSSLCQ-SECBINFHSA-N 341.824 1.609 0 40 EDAB CCOC(=O)c1cnc(N2CC[C@H](Cc3cnn(C)c3)C2)nc1C 95993855 CSWWNXCXOINBOV-CYBMUJFWSA-N 329.404 1.764 0 40 EDAB C[C@@H](Cn1cccn1)NCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 75133211 OYSLXMUIXCJKND-WMZOPIPTSA-N 341.459 1.252 0 40 EDAB CCn1cc(NC(=O)C2CCN(C(=O)C[C@H]3CCCO3)CC2)cn1 75126890 MUPNDPGDZAJURP-OAHLLOKOSA-N 334.420 1.649 0 40 EDAB Cc1ccc([C@H](NC(=O)CNC[C@H]2CN(C)CCO2)C2CC2)cc1 75133316 DVQKKCAITAKVEK-HKUYNNGSSA-N 331.460 1.483 0 40 EDAB CCn1cc(CC(=O)N[C@H](C)[C@H]2CCN(C(=O)c3ccoc3)C2)nn1 1050021458 IXNGPQGSYKPTRO-OLZOCXBDSA-N 345.403 1.101 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(C)C)cc2)C1=O 408549636 WAYIRTFGHHQCNV-RIYZIHGNSA-N 332.356 1.787 0 40 EDAB O[C@]1(c2ccccc2)CCN(Cc2cnc(N3CCOCC3)nc2)C1 43286527 XFNHLWZJNBWEOB-LJQANCHMSA-N 340.427 1.407 0 40 EDAB Cc1cccc(Nc2cncc([C@@H]3CCCN(CC(N)=O)C3)n2)n1 72360944 HWLOLMHCZXBIMI-CYBMUJFWSA-N 326.404 1.588 0 40 EDAB CN(C)CCCN[C@H](CC(=O)Nc1ccccc1Cl)C(=O)O 56964111 KIACBHKBIVYLNB-CYBMUJFWSA-N 327.812 1.663 0 40 EDAB COc1ccc(CC(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)cc1 77261764 LUQJVGCLUMUEOY-PSBWJHGTSA-N 342.395 1.027 0 40 EDAB biogenic,in-vitro CCc1nnc(Nc2cc([C@H]3CCCN3CC(N)=O)nc(C)n2)s1 72360963 HNUOSXBZELLMFC-LLVKDONJSA-N 347.448 1.565 0 40 EDAB CCOCc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C 558662236 NKJAMGHHQTYUPW-LBPRGKRZSA-N 335.383 1.934 0 40 EDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C(=O)O)cc1 218099601 KEDYNGYMYLNWCZ-ZMSDIMECSA-N 347.392 1.417 0 40 EDAB O=C(N[C@H]1CCCS(=O)(=O)C1)c1csc(-c2ccoc2)n1 79310309 PFORMYOAANCYTD-JTQLQIEISA-N 326.399 1.710 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)c(Br)c1 42646192 BLYAQZXLAMQQDO-JTQLQIEISA-N 341.205 1.991 0 40 EDAB CCn1ncc(CNC(=O)N[C@H]2CCC[C@@H](N3CCCC3=O)C2)n1 528043554 PONGJUWIFLJFBU-GXTWGEPZSA-N 334.424 1.031 0 40 EDAB Cc1ccc(-c2nc(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)cs2)n1C 570982110 AGIDDLWQXWEPQK-KBPBESRZSA-N 334.445 1.204 0 40 EDAB CN(C)S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 224566894 XBJWJCWZYDVSTL-UHFFFAOYSA-N 346.821 1.694 0 40 EDAB CC(C)Oc1cc(CN(c2ccc3nnnn3n2)C2CC2)ccn1 135980472 UCZQMQFJUHNXQK-UHFFFAOYSA-N 325.376 1.871 0 40 EDAB O=C(COc1ccccc1F)NCc1nc(-c2cc[nH]c(=O)c2)no1 225801315 XQWURYPKXIMCAG-UHFFFAOYSA-N 344.302 1.259 0 40 EDAB CN(CC(=O)N1CCNC1=O)Cc1cc(Br)cs1 48575350 YCSXZXOQEVNQIS-UHFFFAOYSA-N 332.223 1.494 0 40 EDAB Cn1c(CN2CCN(C(=O)c3ccccn3)CC2)nnc1C1CC1 195063033 BXJYEIRGLFFUEL-UHFFFAOYSA-N 326.404 1.046 0 40 EDAB COC[C@H]1CN(S(=O)(=O)Cc2ccccc2)Cc2c1cnn2C 96044553 VGPYZMLKCRQUPI-CQSZACIVSA-N 335.429 1.496 0 40 EDAB CNC(=O)CN1CCC(CN(C)c2nnc(C(C)(C)C)s2)CC1 96482703 YUAQMJCNZYRTSB-UHFFFAOYSA-N 339.509 1.730 0 40 EDAB Cn1cccc1C(=O)N1Cc2c(cnn2C)[C@@H](COCC2CC2)C1 96044647 ISFAIUITKCSMAS-CQSZACIVSA-N 328.416 1.925 0 40 EDAB O=C(CNC(=O)c1c(F)cccc1Cl)N[C@H]1CCCC[C@@H]1CO 97234545 JBBHBUNEJFPCDO-MFKMUULPSA-N 342.798 1.876 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N1CCC(N(C)c2ccccc2)CC1 96455044 ULZDOYSUBYFFSV-OAHLLOKOSA-N 342.447 1.977 0 40 EDAB CC(C)N(C)[C@@H]1CCN(C(=O)C2CCOCC2)[C@H]1Cc1cnn(C)c1 96200949 KXPFWHCHZAGJBX-MSOLQXFVSA-N 348.491 1.699 0 40 EDAB CCN1CCC[C@H]1CNC(=O)CCCc1nnc2ccc(OC)nn12 96118697 ISYPOUNCIKSUPY-ZDUSSCGKSA-N 346.435 1.056 0 40 EDAB O=C(c1cccc(F)c1)N1C[C@@H]2OCCN(C[C@@H]3CCCO3)[C@@H]2C1 96246501 UENUJCOURGDOIU-BBWFWOEESA-N 334.391 1.530 0 40 EDAB Cc1cccc(-c2nnn3c2CO[C@H](CNC(=O)[C@H]2CCCO2)C3)c1 96199300 DWULOSZHUSKKAG-GDBMZVCRSA-N 342.399 1.448 0 40 EDAB O=C(NCCn1cnc2ccccc21)C1(n2cnnn2)CCCCC1 96232718 LXSDVFDOERSYET-UHFFFAOYSA-N 339.403 1.499 0 40 EDAB O=C(COc1cccc(N2CCCC2=O)c1)NCc1ccccn1 96402257 QTTPQAULHNXDIM-UHFFFAOYSA-N 325.368 1.904 0 40 EDAB Cn1cc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cn1 95473933 ZCPCBKQOMRCKNP-VIFPVBQESA-N 342.334 1.427 0 40 EDAB O=C(c1ccccn1)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048395 SWEQZXLFQJLYNM-RDTXWAMCSA-N 339.399 1.747 0 40 EDAB Cc1nc(CO[C@@H]2CO[C@]3(CCCN(C[C@@H](C)O)C3)C2)cs1 96073619 MLTMFYUSEWZAMG-UHOFOFEASA-N 326.462 1.972 0 40 EDAB Cc1ccc(S(=O)(=O)CCCn2cnnc2[S@](C)=O)cc1 91584653 BKPRYLYGGJYMHI-HXUWFJFHSA-N 327.431 1.188 0 40 EDAB O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 583620373 BNOSERNNICRGET-OAGGEKHMSA-N 342.399 1.474 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3cccnc3)C[C@@H]21)c1ccco1 247354419 CURHNVATVLADGO-BFYDXBDKSA-N 327.384 1.551 0 40 EDAB Fc1cccnc1O[C@H]1CN(C2CCOCC2)Cc2ccnn2C1 247489733 BBYKETYMAVYDGO-HNNXBMFYSA-N 332.379 1.859 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C(=O)c3cncs3)CCN2C)c1 257268070 MKBIDXKERPRHNE-CQSZACIVSA-N 344.440 1.632 0 40 EDAB Cc1c[nH]c([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)n1 257235271 GXCPVQSJXWWESE-OAHLLOKOSA-N 328.420 1.682 0 40 EDAB O=S(=O)(Cc1ncsc1Br)c1n[nH]c(C2CC2)n1 585098420 SHMAPQOPUNUDIT-UHFFFAOYSA-N 349.235 1.875 0 40 EDAB C[C@@H](NCc1ccc(S(N)(=O)=O)o1)[C@@H](c1ccccc1)N(C)C 585117713 UHYJRTBWMUKVKF-WBMJQRKESA-N 337.445 1.708 0 40 EDAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3ccc(=O)[nH]n3)C2)n1 257238269 HKFPTVRKTZSLEK-CYBMUJFWSA-N 327.388 1.214 0 40 EDAB CNc1cc(C)nc([C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)c1 257291141 QFVCTFGWIRQQHY-QGZVFWFLSA-N 343.431 1.914 0 40 EDAB Cc1nc(C(=O)N2CCC(Cc3cnc(CN(C)C)cn3)CC2)co1 257301224 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343.353 1.875 0 40 EDAB COc1cc(Cl)ccc1S(=O)(=O)N(CC(=O)O)C1CCC1 653496479 SIDPORYGGZVXLZ-UHFFFAOYSA-N 333.793 1.976 0 40 EDAB O=S1(=O)CC=C(NC(=S)Nc2nc3ccccc3s2)C1 575425776 WGHXAPQVYGJINZ-UHFFFAOYSA-N 325.440 1.895 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)c2cncnc2C)CCO1 585276309 GEBPTUMKAISFMR-IBGZPJMESA-N 341.411 1.540 0 40 EDAB C[C@]1(C(=O)N2C[C@@H]3C[C@@H](CC(=O)N4CCC4)O[C@@H]3C2)CC=CCC1 585109468 RUBXHCSYYNSCHV-GGXPGOJBSA-N 332.444 1.971 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@](O)(COc3ccc(F)cc3)C2)nn1 585276426 JSJQELKMLGFRSO-KRWDZBQOSA-N 331.347 1.580 0 40 EDAB CC(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CN2CCCCC2)C1 585095470 ZAVPPHLHVFMBLG-HNNXBMFYSA-N 326.466 1.464 0 40 EDAB CCN1CCC(N2CCOC[C@](O)(COc3ccc(C)cc3)C2)CC1 585277023 JHONOVFZWUVREA-FQEVSTJZSA-N 348.487 1.921 0 40 EDAB Cc1nc(CNC(=O)Cc2ccc3c(c2)CCO3)sc1C(=O)O 679398384 DDOVYNIEPNEQAC-UHFFFAOYSA-N 332.381 1.944 0 40 EDAB CCOC(=O)CSc1nnc(NC(=O)N2CCSCC2)s1 47782577 JSYQYGXAPBYEGN-UHFFFAOYSA-N 348.475 1.774 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)c4cccs4)CC3)ncnc21 48342916 SNGFGHAXFHZUJU-UHFFFAOYSA-N 328.401 1.387 0 40 EDAB C[C@@H](C(=O)N1CCOCC1)N1CCN(C/C=C/c2ccccc2)CC1 57571048 VDYFNOVIHXYDMF-MOTZXUDYSA-N 343.471 1.565 0 40 EDAB O=C1CCc2cc(OCC(=O)N[C@H]3CCN4CCCC[C@@H]34)ccc2N1 60567605 SXXFJYCHVNKKDJ-IRXDYDNUSA-N 343.427 1.693 0 40 EDAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](O)C1CCCCC1 70636679 BKJCBIPJLDEKPT-INIZCTEOSA-N 339.457 1.908 0 40 EDAB C[C@H](Cn1cccn1)NCC(=O)NCCOc1ccc(Cl)cc1 71879149 SAYDEMLCFMSJOF-CYBMUJFWSA-N 336.823 1.710 0 40 EDAB Cc1nccc(N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)n1 95961951 GFQSWAOLIUTONP-UHFFFAOYSA-N 338.458 1.666 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)C[C@H]21 108148570 SKPRRRCAWRPEJB-MGPQQGTHSA-N 345.226 1.568 0 40 EDAB C[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O 585115571 IFJNOMICDAPVIH-SSDOTTSWSA-N 338.212 1.258 0 40 EDAB O=C(c1cn[nH]c1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 585581594 BKBNIWADWZANKB-UHFFFAOYSA-N 337.387 1.745 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](CCC(=O)O)C(=O)O)cc1F 1616035770 GICFOESOMIWMSU-KOLCDFICSA-N 347.364 1.367 0 40 EDAB Cc1c(CC(=O)NCCCO)c(=O)oc2cc(O)c(Cl)cc12 5306183 AYWUEDQQEAUOOW-UHFFFAOYSA-N 325.748 1.502 0 40 EDAB COc1ccc([C@@H]2C[C@H](OC(=O)c3cnn(C)c3C)C(=O)N2C)cc1 12143234 GVMLTJGQMSKXPH-HOTGVXAUSA-N 343.383 1.866 0 40 EDAB Cc1nn(C)cc1C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 12366129 HYPFALCXWYDYBX-HNNXBMFYSA-N 328.416 1.694 0 40 EDAB COc1c(C[C@@H]2C[C@@H](NC(C)C)C(=O)O2)cc2c(c1OC)OCO2 12401607 GJCMIHNMGVKQCR-VXGBXAGGSA-N 337.372 1.657 0 40 EDAB CCn1ccnc1N1CCN(C(=O)Cc2ccc(OC)cc2)CC1 12444601 FYZQGDFAIYKRFX-UHFFFAOYSA-N 328.416 1.803 0 40 EDAB CCN(CC)C(=O)CN1C(=O)C(=O)c2cc(Br)ccc21 15109056 DGCCJLIUYRTHAN-UHFFFAOYSA-N 339.189 1.847 0 40 EDAB Cn1cc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)cn1 19290676 HMUSXRYJNNMXEQ-LLVKDONJSA-N 341.462 1.055 0 40 EDAB C[C@@H]1Cc2cc([C@H](O)CN3CCOCC3)ccc2N1C(=O)C1CC1 19497838 JYLDVVWUAVSJSG-FZKQIMNGSA-N 330.428 1.740 0 40 EDAB CN1CCN(c2cc(CCNC(=O)C3CCC3)nc(C3CC3)n2)CC1 19590091 NJIITLKUVGDXRG-UHFFFAOYSA-N 343.475 1.565 0 40 EDAB O=C(O)C[C@H]1Oc2ccccc2N(CC(=O)NC2CCCC2)C1=O 19768258 CNLGSCJDJDXYDK-CQSZACIVSA-N 332.356 1.314 0 40 EDAB CN(CC(=O)NCCc1ccccn1)S(=O)(=O)c1cccs1 21774226 GMNYMNNJYQUQDV-UHFFFAOYSA-N 339.442 1.123 0 40 EDAB C[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2ccccn2)C(=O)C1 1775985918 IJGAWTORJPKAHM-CYBMUJFWSA-N 343.358 1.863 0 40 EDAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)[C@@H]1CCCO1 238945713 WKGZLVMAVYNQEB-LBPRGKRZSA-N 329.385 1.648 0 40 EDAB CCn1cc(C(=O)N2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)cn1 2037985002 USFVUYATRGHLLR-SFHVURJKSA-N 348.447 1.535 0 40 EDAB OC[C@@H]1CO[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 227265 NKUOWQPBYUKRIM-ZWNOBZJWSA-N 330.171 1.846 0 40 EDAB Cc1ccc(SCc2c(C(=O)O)nnn2-c2nonc2N)cc1 2191165 SHSGEAOHDYRTMI-UHFFFAOYSA-N 332.345 1.531 0 40 EDAB Cc1cc(=O)n(CC(=O)Nc2ccccc2)c(-n2nc(C)cc2C)n1 4496046 RKBCMUDQBCNGHX-UHFFFAOYSA-N 337.383 1.993 0 40 EDAB O=S(=O)(NCC1(N2CCOCC2)CCC1)c1c(F)cccc1F 1775974496 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COc1cc(C)c(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC 32912512 LAIKUFJRNYJNDF-JQWIXIFHSA-N 325.386 1.162 0 40 EDAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCC1(C(N)=O)CCOCC1 52744846 HPYVFTBHJPYVDH-CYBMUJFWSA-N 346.427 1.341 0 40 EDAB Cc1cnc(C(=O)NCc2ccccc2CN2CCOCC2)cn1 21935043 SSRAAAOVHKTCHR-UHFFFAOYSA-N 326.400 1.547 0 40 EDAB Cn1cc(CN2C(=O)C[C@@H](C(=O)O)[C@H]2c2ccc3c(c2)CCO3)cn1 69492035 FEYOWCWFKCKUQM-RHSMWYFYSA-N 341.367 1.529 0 40 EDAB COC(=O)c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)ccc1Cl 100179182 TUVAKQNFJQZMQW-ZDEQEGDKSA-N 333.727 1.569 0 40 EDAB COc1ccc(NCC(=O)N2CCC(C)CC2)cc1-n1nnnc1C 69439615 SKJDQSAOZKZJPB-UHFFFAOYSA-N 344.419 1.650 0 40 EDAB Cn1c(=O)c2c(-c3ccccc3Br)[nH]cc2n(C)c1=O 12427992 IMQXGZOGDIQJDI-UHFFFAOYSA-N 334.173 1.995 0 40 EDAB Cn1cc(/C=C/C(=O)N[C@H](c2ccccc2)C2CC2)c(=O)n(C)c1=O 24027855 HZEZTFUSTQSNLC-SXSDINLZSA-N 339.395 1.365 0 40 EDAB O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1cc[nH]n1 51420052 WKXINVPRQXOOOX-UHFFFAOYSA-N 339.399 1.949 0 40 EDAB Cc1nc(CCNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cs1 24747282 XJMNTOGUUQYYHX-UHFFFAOYSA-N 329.381 1.650 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(CCN(C)C)Cc1cccnc1 55276659 HFYSJDDIVOMMJA-UHFFFAOYSA-N 338.433 1.439 0 40 EDAB COc1ccccc1S(=O)(=O)Nc1ccccc1-n1cnnn1 55601875 FTRWHTWDFPGTSJ-UHFFFAOYSA-N 331.357 1.472 0 40 EDAB C[C@@H]1c2ccsc2CCN1C(=O)Cn1nnc2ccccc2c1=O 25381922 BSOITYHHIPBOAW-LLVKDONJSA-N 340.408 1.999 0 40 EDAB O=C1C[C@H](C(=O)N2CCN(c3cnccn3)CC2)c2ccccc2N1 25834996 YBDAOEIHCXCZHP-AWEZNQCLSA-N 337.383 1.251 0 40 EDAB C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)[C@H](C)n1cncn1 108085209 NMHYCCVSTYDCJT-YQQAZPJKSA-N 343.431 1.245 0 40 EDAB COC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)n2)cc1 12688917 PCOFALOSTCTEQB-UHFFFAOYSA-N 336.351 1.984 0 40 EDAB NC(=O)c1ccc(CNC(=O)N2CCN(c3nccs3)CC2)cc1 48230900 WGAVZWSWMCGHGN-UHFFFAOYSA-N 345.428 1.274 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)COc1ccc2c(c1)CCC(=O)N2 48286957 ZABLTEWLMKUNGY-CYBMUJFWSA-N 332.400 1.835 0 40 EDAB Cc1noc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)n1 48234400 XGFXJSKSRNWUGW-OAHLLOKOSA-N 330.300 1.074 0 40 EDAB CC(C)N(C(=O)CN(C)S(=O)(=O)c1cccnc1)C1CCCC1 57748977 CGIRBJQDPZMMQB-UHFFFAOYSA-N 339.461 1.882 0 40 EDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@@H]1Cc2ccccc2O1 58289794 RKAUDOQGECCZLL-FUHWJXTLSA-N 348.468 1.314 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N1CCC(CNC(=O)OC(C)(C)C)CC1 58294565 LTVCGTYIRLRUJE-LLVKDONJSA-N 342.440 1.067 0 40 EDAB C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)N1CCOCC1 58278945 ATPUFIGPEHXJBC-NWDGAFQWSA-N 340.807 1.471 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H](C)S(C)(=O)=O 44951175 CGKOAQVBKAWXOG-ZDUSSCGKSA-N 335.429 1.538 0 40 EDAB C[C@H](CNC(=O)NCc1cnn(-c2ccccc2)c1)N1CCOCC1 44953176 OOBRCSKFYJKFTC-OAHLLOKOSA-N 343.431 1.392 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)c1ccccc1NS(=O)(=O)CC 58428714 UXEHPFUFYFWCRD-CYBMUJFWSA-N 340.445 1.947 0 40 EDAB Cc1c(C)n(C[C@H](O)CN(CCO)CCO)c2c(Cl)cccc12 28296749 KIXSQXBWSZXCPF-CQSZACIVSA-N 340.851 1.559 0 40 EDAB CCc1c(C(=O)N2CCN(CC)CC2)cnn1-c1ccc(OC)nn1 45263261 HWIYBSCWFFLNMM-UHFFFAOYSA-N 344.419 1.011 0 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25777708 DDVNKJUABRAAKQ-MJBXVCDLSA-N 347.415 1.174 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CCO1 69657651 AXLADLIKVSDPKT-NEPJUHHUSA-N 330.306 1.435 0 40 EDAB O=C([C@H]1CCCCN1Cc1nc2ccccc2c(=O)[nH]1)N1CCCC1 69653849 GTXUKVSDAGMFNZ-MRXNPFEDSA-N 340.427 1.900 0 40 EDAB Cc1ccc(CNC(=O)CN[C@H]2CCCN(c3cccnn3)C2)s1 69738568 GVDUINPYVUCQQR-AWEZNQCLSA-N 345.472 1.721 0 40 EDAB Cc1cnc(CCNC(=O)CCn2cnc3sccc3c2=O)s1 69708701 VCEBBRVVKDDCPB-UHFFFAOYSA-N 348.453 1.972 0 40 EDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccc(Cl)o1 65434112 BHRIGLLHBFSSJW-RYUDHWBXSA-N 328.796 1.400 0 40 EDAB CCO[C@H]1CCCN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1 65459292 NVSRVFNPJTZTAA-ZDUSSCGKSA-N 345.399 1.107 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(SC)cc2)CC1 69816983 NGTDZLNTUBOXOM-UHFFFAOYSA-N 343.474 1.908 0 40 EDAB CC1CCN(c2nnc(SCC(N)=O)n2Cc2ccco2)CC1 14085250 IYFNAAKOBVIORN-UHFFFAOYSA-N 335.433 1.733 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 65552566 YPFDZHOKPKHVEG-CQSZACIVSA-N 327.388 1.726 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccco3)CC2)no1 14185406 IHGIWXYAHLJXBQ-GFCCVEGCSA-N 332.360 1.361 0 40 EDAB CC(=O)N1CCN(CC(=O)Nc2cc(C)nn2-c2ccccc2)CC1 14117181 ZKLWLYBDWAJRCF-UHFFFAOYSA-N 341.415 1.283 0 40 EDAB CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C 4502177 WWPRRWKZTUPULE-LBPRGKRZSA-N 343.383 1.345 0 40 EDAB C[C@@H](NC(=O)C(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 5424155 IXSYWQYFAUETMM-HIFRSBDPSA-N 340.379 1.820 0 40 EDAB COC(=O)CN(CC(=O)OC)C(=O)Cc1cccc(C(F)(F)F)c1 66235681 AMZMHSHJCWLPDQ-UHFFFAOYSA-N 347.289 1.423 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCN2C1=O)NC12CC3CC(CC(C3)C1)C2 18408033 CJXFTPDEXHNUHZ-RZYZSWTKSA-N 331.416 1.498 0 40 EDAB CCn1cc(S(=O)(=O)Nc2cc(C(=O)O)c(F)cc2F)cn1 66581043 PLCICFRYAGYXNJ-UHFFFAOYSA-N 331.300 1.680 0 40 EDAB CC(C)N1CCC[C@H](N2CCN(C(=O)c3ccncc3)CC2)C1=O 93241534 JPBZJROYPCGFLM-INIZCTEOSA-N 330.432 1.239 0 40 EDAB COCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860126 CGHBLWOHFISISB-UHFFFAOYSA-N 333.413 1.586 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NOCc1ccccc1 8096915 JJJOBOJTIJVLSQ-UHFFFAOYSA-N 336.369 1.204 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)[C@@H](c2ccccc2)n2cccn2)CC1 70003945 CFZBSYVUKISHOT-QZTJIDSGSA-N 342.443 1.388 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)NC1CCN(c2ncccn2)CC1 69335730 ZYWBYKRLRBHIDW-GFCCVEGCSA-N 343.435 1.548 0 40 EDAB COCCNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 69352744 GYHMPLDCMHIIDQ-SNVBAGLBSA-N 330.306 1.821 0 40 EDAB COC(=O)[C@@H]1CS(=O)(=O)CCN1C/C=C/c1ccc(F)cc1 97165674 OYVXWLJKJWAQGL-HSWBROFVSA-N 327.377 1.111 0 40 EDAB CC(=O)NC1CCN(C[C@H](O)COc2cc(C)ccc2Cl)CC1 97109313 UTSFMGUMUAWASC-HNNXBMFYSA-N 340.851 1.989 0 40 EDAB CCCCn1nnnc1CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 9365479 FCJSPZPJVAYISY-KRWDZBQOSA-N 340.387 1.367 0 40 EDAB CC(C)CCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1cnn(C)c1 71796755 BUACAOXLKMNZNM-CQSZACIVSA-N 327.450 1.545 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2CC(=O)NCc2ccccn2)c1 71875383 NHKWUNFABQXZRI-KRWDZBQOSA-N 327.432 1.757 0 40 EDAB CNc1snc(C)c1C(=O)N1CCc2nnc(N(C)C)cc2C1 71860196 NHSSAKIRDDASAO-UHFFFAOYSA-N 332.433 1.548 0 40 EDAB O=C(CN1CCCC[C@H]1Cn1cncn1)N1CCc2sccc2C1 71876305 RSORQHOAZQFNBH-HNNXBMFYSA-N 345.472 1.779 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCC[C@H](Cn3nc(C)nc3C)C2)on1 71875115 RMMIFFVTLFIRES-WFASDCNBSA-N 346.435 1.931 0 40 EDAB Cn1ccc(NC(=O)CCNC(=O)N2CCc3ccccc3C2)n1 71897823 XOCMKZHADQNWBX-UHFFFAOYSA-N 327.388 1.517 0 40 EDAB CC(C)c1nc2cc(NC(=O)CN3C(=O)CN(C)C3=O)ccc2o1 71828349 LILIDJUOIDPHBY-UHFFFAOYSA-N 330.344 1.784 0 40 EDAB Cc1nccn1[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 71870590 FQQVJZIXWKERHN-ZDUSSCGKSA-N 325.372 1.838 0 40 EDAB C[C@H]1CC(=O)N(C)c2ccccc2N1S(=O)(=O)c1cnn(C)c1 71924105 BBSGISFFNQVNBC-NSHDSACASA-N 334.401 1.370 0 40 EDAB COc1ccc2cc(C(=O)OCC(=O)N3CCNC3=O)c(C)nc2c1 9752261 BUXMPTWBDDCKLL-UHFFFAOYSA-N 343.339 1.260 0 40 EDAB c1ccc(Cn2cccn2)c(CN2CCO[C@]3(CNCCOC3)C2)c1 72157866 BHLMHVRJXVDVPF-LJQANCHMSA-N 342.443 1.122 0 40 EDAB O=C(OCC(=O)N1CCNC1=O)c1cccnc1Oc1ccccc1 9835597 YPTFMQDQAFNCSG-UHFFFAOYSA-N 341.323 1.583 0 40 EDAB Cc1cc(CN(C)C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)no1 97045641 VWAGNHXMRUWSHK-INIZCTEOSA-N 338.429 1.726 0 40 EDAB O=C(CC(=O)NCC(F)(F)F)NC[C@@H]1CCOc2ccccc21 97052566 GBPZQAIPTWYXQI-JTQLQIEISA-N 330.306 1.738 0 40 EDAB Nc1nc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)nc2ccccc12 97083930 XLZYZOLGSYMBIQ-IUODEOHRSA-N 325.416 1.703 0 40 EDAB CCOC(=O)[C@@]1(NC(=O)[C@H](C)n2cccn2)CCc2ccccc21 72696438 XNMIMXYVSMRAJU-SCLBCKFNSA-N 327.384 1.965 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](n2cncn2)C1)N1CCc2ccccc2C1 72277954 VKJKVEARVHFDGN-CRAIPNDOSA-N 339.443 1.888 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCC[C@H]2Cn2cccn2)c2ccccc21 72280000 DXRTVHYMSSIRGP-AWEZNQCLSA-N 339.399 1.228 0 40 EDAB CC[C@H]1CN(Cc2nnc(Cc3ccccc3)o2)CCN1C[C@@H](C)O 72279801 CJBDTCTWPZQNEK-WBVHZDCISA-N 344.459 1.937 0 40 EDAB COC[C@](C)(N)CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F 72284419 JHVZMZDQKPTNGK-LLVKDONJSA-N 344.330 1.895 0 40 EDAB CC(C)NC(=O)CN1CCC(NC(=O)CCc2ccc(F)cc2)CC1 72271187 OCCFYKAEVZPFQX-UHFFFAOYSA-N 349.450 1.864 0 40 EDAB CCN(C[C@H]1CN(CCCc2cnn(C)c2)CCO1)c1cccnn1 84774602 FHIOJURVQHSNPF-QGZVFWFLSA-N 344.463 1.370 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)c2cn(Cc3cccnc3)nn2)C12CCC2 95403599 ZGJYSHHWJOPIMU-CVEARBPZSA-N 341.415 1.799 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NCc2cccc(-n3cccn3)c2)C1 95415426 UBUPYMZNPUIJGW-OAHLLOKOSA-N 334.445 1.386 0 40 EDAB C[C@H](CCc1ccccc1)NC(=O)Cn1cc(C(=O)O)ccc1=O 98063843 JTEXJOUFWJPJRX-CYBMUJFWSA-N 328.368 1.684 0 40 EDAB CN1C[C@H](NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)CCC1=O 73860613 JZALUJIYPWMPKW-DOMZBBRYSA-N 343.349 1.617 0 40 EDAB C[C@@H](OC(=O)[C@H]1COCCN1C)C(=O)Nc1cccc2ncccc12 95942948 LUJRMPYJPNIXDQ-MLGOLLRUSA-N 343.383 1.436 0 40 EDAB O=S(=O)(N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc2cn[nH]c2c1 89808110 ZCMRGSSCGVOSOZ-SNVBAGLBSA-N 348.350 1.478 0 40 EDAB CC(C)OCC[C@H]1CCCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 89887831 WFNBCOGXMUPTFK-ZIAGYGMSSA-N 332.466 1.553 0 40 EDAB O=C(NCCN1CCOCC1)C(O)(c1ccccc1)c1ccccc1 75567941 NTFRJYQLARMIFO-UHFFFAOYSA-N 340.423 1.371 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1cccc2cccnc12 32075801 HZJPFQFSHOYUPJ-HNNXBMFYSA-N 347.440 1.318 0 40 EDAB Cc1cccc(N2C[C@H](C(=O)N[C@@H](C)c3nc[nH]n3)CC2=O)c1C 176196431 IWEVZVFSQBWTPV-QWHCGFSZSA-N 327.388 1.652 0 40 EDAB C[C@@H](O)CNS(=O)(=O)c1ccc(F)c(Br)c1F 1561289513 UHLWKLCFTZTUFE-RXMQYKEDSA-N 330.150 1.386 0 40 EDAB Cc1csc(=O)n1CCC(=O)N1CCc2ccccc2[C@@H]1CO 127015505 BKBWRAHKFBSYLX-HNNXBMFYSA-N 332.425 1.727 0 40 EDAB Cc1cc(C)nc([C@@H]2CCN(C(=O)c3cnc(N(C)C)nc3)C2)n1 72369717 UZPGRSNHZSNTHG-CYBMUJFWSA-N 326.404 1.579 0 40 EDAB CN1[C@@H](C(=O)NC(C)(C)C)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 72334996 FOFAHAWPVNCAQD-QWHCGFSZSA-N 343.424 1.320 0 40 EDAB CN(C(=O)N1CCC(O)(C(C)(C)C(=O)O)CC1)C1CCOCC1 566808443 RLHHBWOQLFIJQK-UHFFFAOYSA-N 328.409 1.155 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nnc(-c2ccnn2C)o1 38488070 FNCRWRQRLLOFCK-RNCFNFMXSA-N 341.327 1.637 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1nc2ccsc2c(=O)[nH]1 71834778 ZOKYZUTVGIQHRH-CYBMUJFWSA-N 340.408 1.397 0 40 EDAB Cc1nc(NC(=O)CCn2nnc3ccccc3c2=O)sc1C 36358722 AHSYAERIPRQYJU-UHFFFAOYSA-N 329.385 1.894 0 40 EDAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCCO 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AHGUNPOUCDNKDJ-CQSZACIVSA-N 345.447 1.324 0 40 EDAB Cc1nsc(NCCC(=O)N2CCN(c3ccccn3)CC2)n1 80971172 NWCGWVSCOIHCRN-UHFFFAOYSA-N 332.433 1.392 0 40 EDAB Cc1cccc(CNC(=O)[C@@H](C)S(C)(=O)=O)c1Br 191738133 XVBPFZCMXIULHZ-SECBINFHSA-N 334.235 1.807 0 40 EDAB O=C(c1ccc(O)nn1)N1CC(c2nc(-c3ccsc3)no2)C1 75156506 QLTKCSQKUQTXKU-UHFFFAOYSA-N 329.341 1.533 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NCc2cnn3ccccc23)cc1 75162933 NQMOMYGJSANCNI-UHFFFAOYSA-N 344.396 1.771 0 40 EDAB CC(=O)N1CCC(CNC(=O)c2cc(-c3ccn(C)c3)[nH]n2)CC1 571103107 ZCMPTDPGSZCXJU-UHFFFAOYSA-N 329.404 1.404 0 40 EDAB CC(C)[C@@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CCO1 571887307 CINFIPRTGHTGIE-CJNGLKHVSA-N 334.416 1.746 0 40 EDAB CC(=O)NCC(=O)NS(=O)(=O)c1c(Cl)ccc(C)c1Cl 225471636 VVXKZMIFHZVSHE-UHFFFAOYSA-N 339.200 1.243 0 40 EDAB Cn1cc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)Nc3ccccc3)C2)cn1 96253382 IJYBKMWCHBDDEA-IXDOHACOSA-N 326.400 1.648 0 40 EDAB Cc1cc(NC(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)cc(C(N)=O)c1 577219835 ZKAYZVNICJCLGH-CYBMUJFWSA-N 332.404 1.615 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)C[C@@H](OCc1ccccn1)CO2 96106933 DAHAMWRHUWZISX-CQSZACIVSA-N 326.418 1.181 0 40 EDAB O=C(NC[C@@H]1Cn2nnc(-c3ccccc3)c2CO1)[C@H]1CCCO1 96199287 CUFRRIYATMWBKV-UKRRQHHQSA-N 328.372 1.139 0 40 EDAB O=C1NCCN(C(=O)[C@H]2CCOC2)[C@@H]1c1ccccc1C(F)(F)F 97237919 QJCHOIAXDDJEEW-GXFFZTMASA-N 342.317 1.741 0 40 EDAB CCN(CC)c1ncc(CN2CCN(S(=O)(=O)CC)CC2)s1 96489611 CEDRRYGUMRVNQG-UHFFFAOYSA-N 346.522 1.457 0 40 EDAB Cn1ccnc1[C@H](NC(=O)N1CCN(C2CC2)CC1)c1ccccc1 95351209 YDHFRRRTAWCUHP-QGZVFWFLSA-N 339.443 1.999 0 40 EDAB O=C(N1CCCC1)N1CCOC[C@@]2(CCN(C3CCOCC3)C2)C1 96062347 SOHZMHZMLUBRGI-GOSISDBHSA-N 337.464 1.406 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2ccon2)CC1 96428591 AVUKUAATZVBNIN-UHFFFAOYSA-N 339.392 1.629 0 40 EDAB O=C(c1ccno1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccncc1 96070090 KAYZEQBIUYHUCP-CVEARBPZSA-N 342.399 1.228 0 40 EDAB O=C(Cc1noc(CCNC(=O)c2ccco2)n1)Nc1ccccc1 96405281 IBKZQDGRWSGGQO-UHFFFAOYSA-N 340.339 1.816 0 40 EDAB CCN(CCCNc1ncnc2cc(F)c(F)cc12)S(C)(=O)=O 96429211 PLOUIGWGCUSWME-UHFFFAOYSA-N 344.387 1.992 0 40 EDAB C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 96432100 JVYFNUKKHZRNIZ-JSGCOSHPSA-N 333.413 1.484 0 40 EDAB c1nc(N2CCN3CCC[C@H]3C2)cc(N2CCN3CCC[C@H]3C2)n1 249293488 LQVNAFFKDGYLOA-HOTGVXAUSA-N 328.464 1.045 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CN)CO)cc1 242495953 GURMLFBGOVMKKE-KZNAEPCWSA-N 331.437 1.872 0 40 EDAB CC(C)(C)c1nc2cc(NC(=O)NCc3nc(N)n[nH]3)ccc2o1 585119567 LGRYUFDWJXFJFO-UHFFFAOYSA-N 329.364 2.147 0 40 EDAB CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)/C=C/C1CC1 585127808 JPWGTBLEWGZWMC-LXXRFIIISA-N 340.420 1.067 0 40 EDAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc(C(F)F)[nH]n2)C1 585135399 HONFJRTVRULOOB-UWVGGRQHSA-N 344.362 1.351 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2c[nH]nc2C2CC2)C1 585131096 LRXQPHQFPIUPDA-LLVKDONJSA-N 326.422 1.287 0 40 EDAB CN1CCCC[C@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O 585122248 SSQIIYRUUSQPFJ-CABCVRRESA-N 335.448 1.010 0 40 EDAB Nc1cc(=O)n(Cc2csc(Cl)n2)c(=O)n1CC(F)(F)F 585123124 WOYFVLPOMNIOAG-UHFFFAOYSA-N 340.714 1.313 0 40 EDAB CN(Cc1cc2c(cn1)OCCO2)CC(C)(C)CN1CCOCC1 585117698 SYJFZWHRTIOENM-UHFFFAOYSA-N 335.448 1.643 0 40 EDAB O=C(CN1CC[C@@]2(CCCO2)[C@@H](O)C1)N1CCSc2ccccc21 257261090 LFRAKVGQOHJDOZ-WMZOPIPTSA-N 348.468 1.741 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 257233010 GNIUTNUFNFFROH-OAHLLOKOSA-N 347.346 1.609 0 40 EDAB COc1ccc(Oc2cncc([C@@H]3CCCN3C(=O)CN)n2)cc1 257285663 PIEBIZMQIMREOZ-HNNXBMFYSA-N 328.372 1.900 0 40 EDAB CCc1nccn1CCC(=O)N1CCC[C@@H](c2ccnc(O)n2)C1 257207208 BGUNWBBTSVMVTB-CYBMUJFWSA-N 329.404 1.737 0 40 EDAB C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCc1cnn(C)c1 253370424 QTZXZZULMVKTEG-MAUKXSAKSA-N 341.459 1.782 0 40 EDAB CC(=O)N1CCN(C(=O)c2cccc(O)n2)[C@H](c2ccccc2)C1 257311962 ULTUDILRVPGFBY-INIZCTEOSA-N 325.368 1.833 0 40 EDAB O=C(CCCn1cccn1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257220964 DMZNQTZCKSGSMQ-HNNXBMFYSA-N 345.403 1.019 0 40 EDAB CN1CCN(CCCOc2ccccc2F)C[C@H](C(=O)N(C)C)C1 257211765 CAHMECWFWYGJIJ-OAHLLOKOSA-N 337.439 1.546 0 40 EDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)C2CCN(C)CC2)n1 257300681 RVHHQFGJBWDHOE-SFHVURJKSA-N 344.459 1.723 0 40 EDAB COc1ccccc1Cc1cc(C(=O)N2CCNC(=O)C2)ccn1 257254380 KCUSVTHDWNBGBC-UHFFFAOYSA-N 325.368 1.253 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(c2nc3ccccc3[nH]2)CC1 42900106 DCWVJKYTHYHZGT-CYBMUJFWSA-N 347.440 1.704 0 40 EDAB O=S(=O)(NCC1CC1)c1cccnc1N[C@H]1CCCOCC1 1615045868 JEQSQZSPNWYKII-ZDUSSCGKSA-N 325.434 1.751 0 40 EDAB Cc1ccc(F)c(N2CCC(NC(=O)C3(CN)CCOCC3)CC2)c1 1615581505 OOPNVYGPJLYBLD-UHFFFAOYSA-N 349.450 1.975 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@@H](C(=O)NCCc2cccs2)C1 575406632 ZJPFRWBFZDQBRF-OAHLLOKOSA-N 346.456 1.987 0 40 EDAB Cc1ccccc1C[C@H]1CCN(C(=O)CN2CCOCC2)C[C@H]1O 585279323 KHMZAKJVZQSBFQ-QZTJIDSGSA-N 332.444 1.079 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1cccc(OC)c1)C2 585104273 XRNLHSMXJUQHHR-HNNXBMFYSA-N 339.457 1.721 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1cccc2ncccc12 585288400 ZPBSLHTXOLCYIV-ZACQAIPSSA-N 330.384 1.736 0 40 EDAB O=C(NCCN1CCCCCC1=O)Nc1ccc(-n2cccn2)nc1 48134638 HPZFCUSBHMSUMT-UHFFFAOYSA-N 342.403 1.791 0 40 EDAB Cc1nccn1-c1ncccc1CNC(=O)NCCN1CCCCC1 54608545 ANAJNZXSSHACDE-UHFFFAOYSA-N 342.447 1.861 0 40 EDAB COc1ccc(C(=O)NCC(=O)N[C@@H]2COc3ccccc3C2)cc1 53044268 KHMOMXIUBQLQOI-HNNXBMFYSA-N 340.379 1.545 0 40 EDAB NC(=O)CCS(=O)(=O)CCN(Cc1ccco1)C1CCCC1 53139680 VPWUAPXXKVYVDH-UHFFFAOYSA-N 328.434 1.314 0 40 EDAB CC(=O)N[C@H]1CCCN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 57861544 LZIGRJLGGFHLGZ-GJZGRUSLSA-N 325.453 1.986 0 40 EDAB COC(=O)Cc1csc(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)n1 69441038 WZXODBPNFVZOLK-NSHDSACASA-N 339.417 1.444 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)CC1 69527708 PYOXBUXMFRCKHP-OAHLLOKOSA-N 335.448 1.248 0 40 EDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCCc1ccsc1 69773726 FXNLJWNFPDNVAE-OAHLLOKOSA-N 333.461 1.411 0 40 EDAB O=C1CCCN1CCCS(=O)(=O)c1ccc2c(c1)OCCCO2 63860944 CROOPEYRWFVGFA-UHFFFAOYSA-N 339.413 1.634 0 40 EDAB COC(=O)N(C)CC(=O)OC1CCN(c2ccc(Cl)cn2)CC1 71909987 DXINHKYIVHXVGR-UHFFFAOYSA-N 341.795 1.945 0 40 EDAB CN1CCC(CNC(=O)Cn2ccc3ccc(F)cc32)(N(C)C)CC1 12148308 CVUZVPVAIWTHLF-UHFFFAOYSA-N 346.450 1.923 0 40 EDAB C[C@H](Sc1ncccn1)C(=O)Nc1cccc(S(N)(=O)=O)c1 12600783 YDPFBWGLUYHMDQ-VIFPVBQESA-N 338.414 1.243 0 40 EDAB O=C(CCCn1nc(-c2ccccc2)ccc1=O)NC[C@@H]1CCCO1 13575076 QNYFKCILDILTAW-INIZCTEOSA-N 341.411 1.986 0 40 EDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1cc(F)ccc1OC 13581101 SYJNYCVXDDVQIF-UHFFFAOYSA-N 332.397 1.370 0 40 EDAB CN1CCC(c2ncc3c(n2)CCN(C(=O)c2ccccn2)C3)CC1 19588341 PSFNXNKHQROKDB-UHFFFAOYSA-N 337.427 1.879 0 40 EDAB O=C(NCc1noc([C@@H]2CCC(=O)N2CC2CC2)n1)c1cccnc1 1775963797 CYMJOYZLLWMJSW-ZDUSSCGKSA-N 341.371 1.468 0 40 EDAB biogenic,in-vitro CCOC(=O)CN1C(=O)S[C@@H](Nc2ccc(C(=O)O)cc2)C1=O 4271914 MGJPGABUUSJAEN-LLVKDONJSA-N 338.341 1.381 0 40 EDAB O=C(c1ccoc1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782238 SHWBUHWPDUXDPE-UHFFFAOYSA-N 342.399 1.634 0 40 EDAB Cc1nnsc1C(=O)N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O 28284109 YGVUXFLNEVUZBP-DTWKUNHWSA-N 340.430 1.583 0 40 EDAB Cc1nc(CO[C@@H]2CN(S(=O)(=O)C3CC3)[C@@H]3COC[C@H]23)cs1 503872052 SNHOMOAYNXMEML-BFHYXJOUSA-N 344.458 1.160 0 40 EDAB COc1ccc(C[C@@](C)(O)CNC(=O)Cc2c(C)noc2C)cc1 206705905 IPGSFJBFDWCAJN-GOSISDBHSA-N 332.400 1.952 0 40 EDAB CCOc1ncccc1CNC(=O)[C@H](Cc1ccccc1)NC(N)=O 30308741 WMEPCPHLAPIDGS-HNNXBMFYSA-N 342.399 1.376 0 40 EDAB Cc1ccsc1CN(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 40479563 AVMMUKJXPWDOLM-AATRIKPKSA-N 333.413 1.126 0 40 EDAB Cc1csc(NC(=O)COCC(=O)Nc2nc(C)cs2)n1 40489911 VVMNURNQNBOMNB-UHFFFAOYSA-N 326.403 1.810 0 40 EDAB CC(C)c1noc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)n1 40528690 AKDSEVFUJMVLIL-UHFFFAOYSA-N 349.412 1.697 0 40 EDAB Nc1nc(Cl)cc(N2CCN(CC(=O)c3cccs3)CC2)n1 40555558 CCNUKDHAQVCDGV-UHFFFAOYSA-N 337.836 1.779 0 40 EDAB O=C(CS(=O)(=O)c1ccc(F)c(Cl)c1)NC[C@H]1CCCO1 40540030 HODIUWKOLHCWPU-SECBINFHSA-N 335.784 1.548 0 40 EDAB C/C(NCCCN(C)C)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 101059395 YVLKEJRPOTWMNP-FYWRMAATSA-N 344.415 1.393 0 40 EDAB COCCN1CCn2c(nc3cc(C(=O)NCC(C)C)ccc32)C1 20733064 PWFGPSHMCXZFHX-UHFFFAOYSA-N 330.432 1.884 0 40 EDAB CC(C)c1nc(CC(=O)N2CCN(c3ncccn3)CC2)cs1 32476909 ZDXBYGWLFWTPJT-UHFFFAOYSA-N 331.445 1.948 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)ccc2c1=O 32477469 RBPPUSYQRDAGJW-TXEJJXNPSA-N 345.399 1.520 0 40 EDAB CCCn1nnnc1COC(=O)C1=NN(c2ccccc2)C(=O)CC1 32745254 LELRCSYREGPVOD-UHFFFAOYSA-N 342.359 1.309 0 40 EDAB CN(C)c1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)O)cc1 195906 ZMGGISOVWBGHSC-OAHLLOKOSA-N 331.372 1.917 0 40 EDAB O=C([C@@H]1COCCO1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32805558 FWRCYSSPPFAJDV-PBHICJAKSA-N 333.384 1.927 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CC(=O)Nc3nc4c(s3)CCC4)CCO2)n1 76048972 FOQDABGVOYUOJL-NSHDSACASA-N 348.432 1.070 0 40 EDAB Cc1cc([C@@H]2CCCN(C(=O)CS(=O)(=O)C3CCCC3)C2)n[nH]1 76059808 JUWKATKHZBAGNB-CYBMUJFWSA-N 339.461 1.782 0 40 EDAB Cc1c(CCO)c(=O)oc2cc(OC[C@H](O)CNC(C)C)ccc12 1611480 ZWHQQZPSNWXEQV-CYBMUJFWSA-N 335.400 1.374 0 40 EDAB C[C@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C[C@@H]1N(C)C 78895771 JGBHVUAODSGVAR-LRDDRELGSA-N 331.416 1.359 0 40 EDAB CN1C[C@H](NC(=O)c2ccc(Br)cc2O)CCC1=O 78835058 SGPLCIJGVUEERQ-SECBINFHSA-N 327.178 1.505 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)c3nccn4ccnc34)CCO2)n1 78894295 LMXCSNUJJVZXML-LLVKDONJSA-N 341.375 1.185 0 40 EDAB Cc1nn(CCC(=O)NC[C@@H]2CCCO2)c(C)c1Br 2780264 BDURNMAMJGMYNU-NSHDSACASA-N 330.226 1.948 0 40 EDAB CC(C)[C@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)NC(N)=O 4439175 JMKAQQWGJBDHBM-HNNXBMFYSA-N 334.372 1.317 0 40 EDAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(N)=O 4713658 IXSNPCNZNIGQSE-OLZOCXBDSA-N 343.468 1.942 0 40 EDAB CCOc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCC(=O)O 6892369 SUTDFODCQZJZEB-ZANVPECISA-N 327.358 1.337 0 40 EDAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 7248575 SDBARYWNAQZTCE-AWEZNQCLSA-N 345.486 1.891 0 40 EDAB O=C(Cc1csc(-c2nc[nH]n2)n1)N1CCC[C@@H](n2cccn2)C1 69562844 GHISTXNSAXUSLA-GFCCVEGCSA-N 343.416 1.531 0 40 EDAB Cc1cc(Br)cc(C)c1NC(=O)N(C)C[C@H](O)CO 97164645 STAASUGTNPWNRJ-NSHDSACASA-N 331.210 1.883 0 40 EDAB CCCN1CNc2c(c(=O)[nH]c(=O)n2Cc2ccc(OC)cc2)C1 20572985 VXXDRCVKHXQDTM-UHFFFAOYSA-N 330.388 1.189 0 40 EDAB CC[C@@H]1CCCCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 23991334 CKZNDYQFWZDZAZ-CYBMUJFWSA-N 325.434 1.537 0 40 EDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc(F)c2)n1 102015437 LDBBFCAQELALIQ-DARAHFNDSA-N 341.342 1.737 0 40 EDAB Cc1ccc(S(=O)(=O)CCC(=O)N(C)Cc2cnn(C)c2)cc1 24471973 ZIHKWHIOKWXCMY-UHFFFAOYSA-N 335.429 1.551 0 40 EDAB COC(=O)NCC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 55077439 QWXALNZDIJWDHS-UHFFFAOYSA-N 348.399 1.742 0 40 EDAB O=C(CN1CCN(C(=O)C2CC2)CC1)NCCCc1ccccc1 24592551 AFKCIYOETULAKI-UHFFFAOYSA-N 329.444 1.290 0 40 EDAB COc1nn(C)c2nc(C)c(CCC(=O)NC[C@H]3CCCO3)c(C)c12 24823687 VYIFTLOPLKAEMI-CYBMUJFWSA-N 346.431 1.822 0 40 EDAB COc1ncccc1CNC(=O)c1ccc(=O)n(-c2ccccc2)n1 24914991 BMEYWPLSMYEPIX-UHFFFAOYSA-N 336.351 1.566 0 40 EDAB C[C@H](O)CN1CCN(CCC(=O)N2CCc3ccccc32)C[C@@H]1C 106869280 UNEBTBSYXFNRHT-HOTGVXAUSA-N 331.460 1.353 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCc1ccnc(N2CCOCC2)c1 25291140 INHBACWCTCIDSX-UHFFFAOYSA-N 343.431 1.127 0 40 EDAB Cc1cccc(CN2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)c1 44336420 ICKYBIGLTIJUIP-QGZVFWFLSA-N 329.444 1.508 0 40 EDAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 57525682 RLGWAHBTGCTWJS-UHFFFAOYSA-N 341.342 1.786 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccccc1F 12780051 KQTOVDUVAPMZEM-UHFFFAOYSA-N 341.342 1.535 0 40 EDAB O=C1CCc2cc(C(=O)Nc3cccc(-n4cnnn4)c3)ccc2N1 27229019 GHBQXIOJKZXOFM-UHFFFAOYSA-N 334.339 1.799 0 40 EDAB COc1ccc(CC(=O)N2CCN(c3cnccn3)CC2)cc1F 44897005 YXLYEOPKWMVNOQ-UHFFFAOYSA-N 330.363 1.516 0 40 EDAB C[C@@H](C(=O)Nc1ccc(CCN2CCOCC2)cc1)n1ccnc1 58217954 ZAPIEPGYRHZGPT-HNNXBMFYSA-N 328.416 1.958 0 40 EDAB Cc1cc(=O)n2nc(NC[C@H](C)N3C[C@H](C)O[C@H](C)C3)sc2n1 44913894 XJHDERBWXNUIGS-SDDRHHMPSA-N 337.449 1.369 0 40 EDAB CCCCN1C(=O)C(=O)N(CN(C)Cc2cc(C)ccc2OC)C1=O 28066875 QNDRYHZBPHESMF-UHFFFAOYSA-N 347.415 1.984 0 40 EDAB O=C(Cn1ccnc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 10809325 LMYWTJOAKMWFHH-UHFFFAOYSA-N 334.401 1.306 0 40 EDAB CCC(C)(C)C1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 58839845 RGKVLOGRZJZPQI-UHFFFAOYSA-N 325.453 1.350 0 40 EDAB COCCCNC(=O)CSc1nc2ccsc2c(=O)n1C 45605015 XIAYWEVTEJMHOC-UHFFFAOYSA-N 327.431 1.240 0 40 EDAB NC(=O)C1CCN(CC(=O)Nc2ccnn2Cc2cccs2)CC1 28927661 BOKBBUSBYIMNMA-UHFFFAOYSA-N 347.444 1.129 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1 29190169 JLYRNALJZAYIQI-CQSZACIVSA-N 338.429 1.190 0 40 EDAB Nn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccco1 3444600 RCQZBSXRCODJAV-UHFFFAOYSA-N 341.396 1.933 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N1c3ccccc3CC[C@@H]1C)C2 69616237 MSTYVVJUHIZDKD-ZDUSSCGKSA-N 325.416 1.770 0 40 EDAB CS(=O)(=O)N1C[C@@]2(CCN(Cc3ccco3)C2)c2ncccc21 306134686 NVGIDUGLCQKTCN-INIZCTEOSA-N 333.413 1.598 0 40 EDAB CC(C)C[C@@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 170612418 JMPKMGUKLHYPQY-XFIYOXNOSA-N 346.427 1.067 0 40 EDAB O=C(O)c1ccccc1-n1ncc(N2CCC(O)CC2)c(Cl)c1=O 13037229 JJGAPMCZJAPTKZ-UHFFFAOYSA-N 349.774 1.545 0 40 EDAB Cc1c(C(=O)O)sc2nc(S[C@@H]3CCOC3=O)[nH]c(=O)c12 4170393 BMGVXZWWRGTVDA-RXMQYKEDSA-N 326.355 1.399 0 40 EDAB CC1=NN(c2ccc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)cc2)CC1 49651800 IPUFOHVDAFTTHH-ZDUSSCGKSA-N 335.429 1.437 0 40 EDAB COc1ccc(F)cc1[C@H](C)NC[C@@H]1CNc2c(C(N)=O)cnn2C1 69840790 YZPQMZNAZYWVJW-WDEREUQCSA-N 347.394 1.522 0 40 EDAB CCc1noc(C)c1C(=O)N1CSC[C@@H]1C(=O)N(CC)CC 69811553 RLPJSFGOBVFLPU-GFCCVEGCSA-N 325.434 1.929 0 40 EDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nncn1C 6063595 CGRJVUTWHPUDPN-LBPRGKRZSA-N 347.444 1.667 0 40 EDAB CS(=O)(=O)NCCNC(=O)N[C@@H](c1ccccc1)C1CCC1 69744211 FQPIQQYMOGNNTC-AWEZNQCLSA-N 325.434 1.376 0 40 EDAB CCCCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 5147985 ZCGZUBRUBFCLMU-NSHDSACASA-N 332.408 1.381 0 40 EDAB COc1ccc2c(c1)CCCN(C(=O)NCCN1CCOCC1)C2 69778217 SODWMKFKZIXNJE-UHFFFAOYSA-N 333.432 1.485 0 40 EDAB CCc1[nH]ncc1C(=O)N1CCN(c2nc(C)cc(OC)n2)CC1 69737428 WOAFYMVAJFUZDD-UHFFFAOYSA-N 330.392 1.042 0 40 EDAB COc1c(CN[C@@H](CN2CCOCC2)c2ccccc2)c(C)nn1C 65474805 CWWIXMMXCBNOQQ-SFHVURJKSA-N 344.459 1.900 0 40 EDAB COCCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 4510629 JPDAKJFKKGHKPK-UHFFFAOYSA-N 334.397 1.745 0 40 EDAB COCCNC(=O)NC(=O)CN1CCC(C(=O)c2ccccc2)CC1 14320689 YUGZSYWILCQCDD-UHFFFAOYSA-N 347.415 1.054 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 24051037 UQZGOCXFQFBDHI-VXGBXAGGSA-N 331.459 1.757 0 40 EDAB COC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N(C)[C@@]1(O)C(F)(F)Cl 5603749 GJYVNCIQAZNEBZ-KWBADKCTSA-N 348.733 1.692 0 40 EDAB CC(C)c1nn(C)c(Cl)c1CNCC1CCN(CCO)CC1 69414670 RSPWIVCJHZYIGV-UHFFFAOYSA-N 328.888 1.991 0 40 EDAB O=c1cc(NC[C@@H](O)COc2ccc(F)cc2)nc2ccccn12 69971930 SXVZTHXDCZCRFM-CYBMUJFWSA-N 329.331 1.685 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)COC[C@@H]1CCCO1 69924093 RIDLTYLLLARHRV-XLAORIBOSA-N 340.464 1.018 0 40 EDAB CC(C)[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(F)cc1 9112639 VFALQKZFJTXJGL-JTQLQIEISA-N 336.396 1.931 0 40 EDAB CCCCNC(=O)NC1(C(=O)Nc2ccc(=O)n(C)c2)CCCC1 84744582 BNBPFCNZEHLOPT-UHFFFAOYSA-N 334.420 1.736 0 40 EDAB Cc1ccc(CNC(=O)[C@H](C)N2CCC(c3nc[nH]n3)CC2)cc1 83424260 NOHCSRDZGINCTE-AWEZNQCLSA-N 327.432 1.997 0 40 EDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCc1ccc(-n2cccn2)nc1 95400935 FUYZCFRJQIZQOY-BMFZPTHFSA-N 341.415 1.880 0 40 EDAB Cc1cc(C)n(C[C@@H](C)NS(=O)(=O)c2cn(C(C)C)cn2)n1 95435931 UNZHOZCFOHWOLQ-GFCCVEGCSA-N 325.438 1.644 0 40 EDAB O=C(NCCNc1nnnn1-c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 71796038 IVKSEKOWDUZSMU-DLBZAZTESA-N 348.410 1.994 0 40 EDAB CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CCS1(=O)=O 96462356 PPKAGYUKQWEWEU-ZIAGYGMSSA-N 325.405 1.965 0 40 EDAB Cc1cc(CS(=O)(=O)C[C@@H](O)c2ccc3c(c2)OCCO3)on1 71825143 PMHRKYQIBMRPTL-CYBMUJFWSA-N 339.369 1.403 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)no1 71841290 SDQHKLPSTRXPLD-JKSUJKDBSA-N 329.404 1.164 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cc(C)c(CC)s2)CC1 71881863 OONJBLYNJODSQB-AWEZNQCLSA-N 340.489 1.774 0 40 EDAB C[C@@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CCOCC1 95416366 GSHUBCCFPFNGGA-QAPCUYQASA-N 332.444 1.991 0 40 EDAB CCN(C[C@H]1CN(Cc2nccn2CC)CCO1)c1cccnn1 83843631 BLEQPKWYPNYKLR-OAHLLOKOSA-N 330.436 1.420 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCc2cnn(C)c2)[C@@H]1c1cccc(Cl)c1 71908825 HTOXITUYPOETFZ-ZBFHGGJFSA-N 346.818 1.909 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)Nc2ccn(CCN3CCOCC3)n2)o1 71912172 VMLXSCZFJRIZGK-CQSZACIVSA-N 347.419 1.999 0 40 EDAB CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(N)=O 83984590 DONNOBDZPDWEJM-JTQLQIEISA-N 334.235 1.528 0 40 EDAB CCOC(=O)[C@@H](Cc1ccccc1)OC(=O)Cn1ccccc1=O 96999132 SEROFOUFFRAJNJ-OAHLLOKOSA-N 329.352 1.566 0 40 EDAB C[C@H]1CN(CC(=O)NCC(=O)N2CCCC2)c2ccc(F)cc2O1 72296477 KEOZUFMSDSWFLX-LBPRGKRZSA-N 335.379 1.152 0 40 EDAB Cc1cc(C)n(Cc2cccc(NC(=O)N[C@H]3CCN(C)C3=O)c2)n1 72292064 LHTMYOLIXPJXRH-INIZCTEOSA-N 341.415 1.900 0 40 EDAB CCOC(=O)N1CCC(NC(=O)NC[C@@H]2CCCCN2CC)CC1 72277870 GHIMQZDTRRVGQX-HNNXBMFYSA-N 340.468 1.781 0 40 EDAB CN(Cc1cnn(C)c1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 72234658 LGOTWPMUBJBIFD-HNNXBMFYSA-N 330.436 1.777 0 40 EDAB CCN1CCN(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 72280442 HNWLRUXGCRTFOM-LJQANCHMSA-N 344.503 1.405 0 40 EDAB O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)NCc2cccnc2)C1 72272958 KKOFIBLOOCARFW-GFCCVEGCSA-N 346.416 1.493 0 40 EDAB Cc1c(C(=O)NCCCO)sc2nc3n(c(=O)c12)CCCCC3 98075029 BTRLLAPFNUANCA-UHFFFAOYSA-N 335.429 1.605 0 40 EDAB Cn1cc(CN2CCc3cc(S(N)(=O)=O)ccc32)c(C(C)(C)C)n1 95986497 JMWNDBTWIOAOGL-UHFFFAOYSA-N 348.472 1.928 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(C)noc1C 88787045 ZALLRUDIHVKZDU-JTQLQIEISA-N 325.394 1.259 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)c1C 75126504 UKKVUIIFKQMTQF-OAHLLOKOSA-N 330.363 1.670 0 40 EDAB O=C(Nc1nnc(-c2ccccn2)[nH]1)c1cccc(-n2cccn2)n1 89883950 SLNMLPCXOFKVRB-UHFFFAOYSA-N 332.327 1.700 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2nccs2)cc1 21870800 QKUDYTRHLKVAOB-UHFFFAOYSA-N 325.415 1.623 0 40 EDAB COc1ccc(OCCN2CCN(C(=O)c3cc(C)no3)CC2)cc1 23641301 GKPWWQMIHWJKDC-UHFFFAOYSA-N 345.399 1.828 0 40 EDAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC2CC2)cc1 408604302 LWIIICFPRJOMND-GFCCVEGCSA-N 340.445 1.667 0 40 EDAB Cc1cc(CNS(=O)(=O)c2cc(F)ccc2C)nc(N(C)C)n1 188288461 GNLVPNFJDSZTPY-UHFFFAOYSA-N 338.408 1.777 0 40 EDAB Cc1ncn(-c2ccc(NC(=O)c3cn(C)c(=O)n3C)cc2)c1C 1556824453 HODZKWWJMVYHDM-UHFFFAOYSA-N 325.372 1.779 0 40 EDAB O=C(CN1C(=O)S/C(=C/C=C/c2ccco2)C1=O)N1CCOCC1 214280584 IMXDIUDYRKAJOF-GRWPVRQFSA-N 348.380 1.731 0 40 EDAB CC1(C)CN(S(=O)(=O)c2n[nH]cc2C(=O)O)CC2(CCCC2)O1 520575454 NWEMHZPQKRPWLF-UHFFFAOYSA-N 343.405 1.220 0 40 EDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCCCC[C@@H]1c1ncon1 189607584 BCEYHADBQFTMJF-CQSZACIVSA-N 339.359 1.803 0 40 EDAB CCOc1ccccc1C(=O)N1[C@H](C(=O)O)COC12CCN(C)CC2 71980097 SHGBGGQZLUKVRR-AWEZNQCLSA-N 348.399 1.433 0 40 EDAB Cc1cnc(C(C)(C)NS(=O)(=O)N2CCC[C@@H](C(=O)O)C2)s1 564208669 OSUJJJHSRHHDHJ-SNVBAGLBSA-N 347.462 1.318 0 40 EDAB Cc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)nc(N(C)C)n1 72243745 APXVKFUHLLQIMQ-UHFFFAOYSA-N 328.298 1.862 0 40 EDAB COCCCNc1ccc2nnc(CCC(=O)N3CCCCC3)n2n1 32072924 HZJYOSQRIZAMBF-UHFFFAOYSA-N 346.435 1.518 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 222983733 RCXHWQANSYDDLO-UHFFFAOYSA-N 340.426 1.704 0 40 EDAB CCC(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 44790725 KAWWZRRWFOGYJF-UHFFFAOYSA-N 343.471 1.979 0 40 EDAB CS(=O)(=O)N1CCc2c(cccc2NCc2noc(C3CC3)n2)C1 86205189 BWYIMAMAEHLPNR-UHFFFAOYSA-N 348.428 1.877 0 40 EDAB CCOc1ccc(NC(=O)Cn2nc(C)cc(C(=O)O)c2=O)cc1 225961679 CUFMBEIYJJFRNA-UHFFFAOYSA-N 331.328 1.287 0 40 EDAB C[C@@H]1COCCN1CCN(Cc1ccccc1)CC1(O)CCOCC1 225627693 IKZYFJRFTNXXIA-GOSISDBHSA-N 348.487 1.751 0 40 EDAB NC(=O)c1nnn(-c2cccc(F)c2)c1-c1ccc2c(c1)OCO2 82237892 DVVZSQJVWIEDEM-UHFFFAOYSA-N 326.287 1.901 0 40 EDAB O=S(=O)(NCC(F)(F)F)N1CCN(CC2CCCCC2)CC1 195129389 TXLDRWLMHJZBRD-UHFFFAOYSA-N 343.415 1.581 0 40 EDAB c1csc(CN2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)n1 96062321 ZYIWHXAQLKOVSZ-KRWDZBQOSA-N 337.489 1.846 0 40 EDAB COc1ccnc(N2CCN(C(=O)NCc3ncoc3C)CC2)c1 92521683 AFBGLKVQTRIHRB-UHFFFAOYSA-N 331.376 1.418 0 40 EDAB Cn1cnn(CC(=O)NCc2cccc(OC3CCCCC3)c2)c1=O 97233565 IBANGYIATOHUHZ-UHFFFAOYSA-N 344.415 1.610 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(c2ncc(F)cn2)C1 96041279 WXMIMKHHGXRHLE-NILFDRSVSA-N 346.362 1.509 0 40 EDAB Fc1cnc(N2CCn3c(COc4ccccn4)nnc3C2)nc1 96084426 OSWROMZHVIGWCR-UHFFFAOYSA-N 327.323 1.201 0 40 EDAB O=C(Nc1cccnc1)[C@H]1CN(Cc2ccccn2)C[C@H]2OCC[C@H]21 97953644 NFJAUAVTPDPICF-OKZBNKHCSA-N 338.411 1.952 0 40 EDAB Cn1cc(C(=O)NCC(=O)Nc2cccnc2)c(-c2cccs2)n1 95453996 GRQDVQSYHULUCK-UHFFFAOYSA-N 341.396 1.912 0 40 EDAB COc1ncnc2c1CN(CCCS(=O)(=O)c1ccccc1)CC2 97202089 VSSGARTXNOBJCE-UHFFFAOYSA-N 347.440 1.707 0 40 EDAB Cc1cnccc1CCNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 97229719 APDRIKHSUHYRHG-INIZCTEOSA-N 342.447 1.634 0 40 EDAB COCCNc1ccnc([C@H]2COCCN2Cc2scnc2C)n1 96220480 ZEVBWQYCVFGKRE-CYBMUJFWSA-N 349.460 1.873 0 40 EDAB CN(C)C1CCN(C(=O)[C@H]2C[C@H]3[C@H](CCN3Cc3ccoc3)O2)CC1 96183703 YIDAMABCTKTUBJ-OKZBNKHCSA-N 347.459 1.564 0 40 EDAB Cn1ncc2c(=O)[nH]c(N[C@H]3CCCN(c4cccc(F)c4)C3)nc21 96407656 NJUPKFMDVMFSGS-LBPRGKRZSA-N 342.378 1.877 0 40 EDAB CN(C)c1ccnc(C(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1 97101788 KKNKXJQGPPTKRW-QGZVFWFLSA-N 346.818 1.932 0 40 EDAB COC[C@@H]1CN(S(=O)(=O)C2CC2)Cc2ncn(CC3CC3)c21 96060300 BGCFWAMPBKDEGO-LBPRGKRZSA-N 325.434 1.331 0 40 EDAB Cc1ncc(S(=O)(=O)NCc2cccc(OCC(=O)O)c2)s1 579544118 GGFKUVGMYSEDCA-UHFFFAOYSA-N 342.398 1.393 0 40 EDAB CC(C)NC(=O)N1CCc2c(CNc3ncccn3)cncc2C1 96189545 SFSJGVKPNAINMY-UHFFFAOYSA-N 326.404 1.960 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 96042278 AWHCRWSPGXMCKQ-OFQRWUPVSA-N 326.356 1.323 0 40 EDAB O=C(c1ccccc1F)N1C[C@@H]2OCCN(C[C@H]3CCCO3)[C@@H]2C1 96246498 KOSKZNNHXCCDDP-XYPHTWIQSA-N 334.391 1.530 0 40 EDAB O=C(N1CCCC1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccncc1 96201031 KJIUXEIAHXGLAX-MSOLQXFVSA-N 344.459 1.615 0 40 EDAB CN1CCN(C(=O)c2ccccc2NC(=O)Cc2cccnc2)CC1 95394665 TVPIWMVKABQJHE-UHFFFAOYSA-N 338.411 1.650 0 40 EDAB Cc1cc(CN2CC[C@]3(CCC[C@H](CNC(=O)N(C)C)O3)C2)no1 96216145 GOLLQNIDIPAUKS-NVXWUHKLSA-N 336.436 1.768 0 40 EDAB COCCN1CC[C@@H]2OCCC[C@]2(COCC2CCOCC2)C1 96039965 WFMTUJDXUASOOA-ZWKOTPCHSA-N 327.465 1.947 0 40 EDAB COCC[C@@H]1CO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 96072063 ZUGQOXDHLBGTKW-GUYCJALGSA-N 330.388 1.387 0 40 EDAB COc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)nnn1Cc1ccc(C)cc1 96183377 KPMAPJHWMXZKOP-ZIAGYGMSSA-N 344.415 1.893 0 40 EDAB CS(=O)(=O)c1ccc(O)c(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 247532760 PLGDJFUIASMHQM-QYAIJTBZSA-N 333.365 1.107 0 40 EDAB CC[C@H](OC)C(=O)N[C@@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 584907871 WNIVNUIGNNQKGA-LPHOPBHVSA-N 348.443 1.735 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccnc(Cc2cccc(F)c2)c1 257250506 JMUIACPLLPBMGW-HNNXBMFYSA-N 348.399 1.728 0 40 EDAB O=C(CCc1cccnc1)N1CCO[C@H](CCc2ccncn2)C1 257260080 LBGHLSPXNUEVCG-QGZVFWFLSA-N 326.400 1.664 0 40 EDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCNC[C@@H]1c1ccccc1 257254440 KDBZWKKPZVUOSL-MRXNPFEDSA-N 334.379 1.710 0 40 EDAB Cc1nc(-c2ccc(C(=O)N3CCN(C)C[C@@H]3CO)cc2)cs1 585127989 OTYYRBRMHPYTDA-OAHLLOKOSA-N 331.441 1.867 0 40 EDAB CCCCCOCC(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1ccncc1 585128413 AOGQZCAQRWWBSH-CVEARBPZSA-N 338.404 1.370 0 40 EDAB COc1ccc(CN2CCN(C3CCOCC3)C[C@H](C(N)=O)C2)cc1 257241626 HYUVNRVYXQJREH-MRXNPFEDSA-N 347.459 1.093 0 40 EDAB CCc1ccnc(CNC(=O)NCCN2CCN(C)C(C)(C)C2)c1 252490365 KRCCIRBZAVHSEK-UHFFFAOYSA-N 333.480 1.469 0 40 EDAB CN(C(=O)CCc1ccnn1C)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257261657 LIHPUAZTNYRSAB-JFIYKMOQSA-N 334.464 1.189 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3ccnn3C)[C@@H]3CCNC[C@H]23)cc1 257221022 DNESCKYBGQPVMG-BRWVUGGUSA-N 340.427 1.646 0 40 EDAB CN1CCN(Cc2cccc(Br)c2)C[C@H](C(N)=O)C1 257316143 VEIAZQCOQPKODB-GFCCVEGCSA-N 326.238 1.298 0 40 EDAB COc1ccc([C@@H]2CN(C(C)=O)CCN2CC(=O)N2CCCC2)cc1 257249672 JJHJLBVOLFFDPC-SFHVURJKSA-N 345.443 1.523 0 40 EDAB CN(C)c1nccnc1[C@H]1CN(S(=O)(=O)c2ccccc2)CCO1 257209588 BQYZDRCOJDEPPT-CQSZACIVSA-N 348.428 1.305 0 40 EDAB CCC(=O)N1CCC(c2ccnc3c(C(=O)N(C)C)cnn23)CC1 257342495 ZOYIASYMPAEOGK-UHFFFAOYSA-N 329.404 1.547 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)c2c(C)n(C)c3ccccc23)CC[C@@H]1O 257336077 YNBGNZMMBFBAMV-RDJZCZTQSA-N 343.427 1.588 0 40 EDAB Cc1ccccc1CC(=O)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257323659 WLGZPGXTAKUEPR-KRWDZBQOSA-N 341.411 1.893 0 40 EDAB Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)O)cc1C 262960387 LYQXXRLCFMYSCG-UXLLHSPISA-N 344.411 1.745 0 40 EDAB CCS(=O)(=O)NCCNc1cc(Nc2ccccn2)nc(C)n1 90607965 FGJPPEMOVQDPSZ-UHFFFAOYSA-N 336.421 1.275 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1c(F)ccc2c1OCO2 1615003326 XCMACCVXHSBCJH-LLVKDONJSA-N 344.346 1.743 0 40 EDAB COc1ccc2nc(C)c(C(=O)N3CCCC[C@@H]3CN(C)C)n2n1 1615044238 NPGRMDNLEXOCOJ-CYBMUJFWSA-N 331.420 1.603 0 40 EDAB CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCc2nnc(O)n2C1 1615591369 VUMGOEOYEPAFSL-SNVBAGLBSA-N 338.770 1.997 0 40 EDAB Cc1cnn(CCC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 605550455 QCAOTICJNSPVMD-OAHLLOKOSA-N 328.420 1.465 0 40 EDAB Cc1ccc(OC2CCN(S(=O)(=O)c3cccnc3)CC2)nn1 96119459 HMCOHDZALSDABZ-UHFFFAOYSA-N 334.401 1.412 0 40 EDAB CN(C)CCC(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 575402373 BQIXFQGVFBXJIJ-MRXNPFEDSA-N 333.432 1.167 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)Cc2coc3cc(C)ccc23)[C@@H]1O 585283526 BLUHQANSSJKMQU-QBIMZIAESA-N 333.384 1.422 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)C2(c3ccc(C)cc3)CCCC2)[C@@H]1O 585285246 NPVFMXVMQVPHQI-NXHRZFHOSA-N 347.455 1.945 0 40 EDAB CC(C)c1ccc(-c2noc(CN3CCN(CC(N)=O)CC3)n2)cc1 54977976 CRAFEIAAWQYMKT-UHFFFAOYSA-N 343.431 1.463 0 40 EDAB CCCCn1c(N)c(N(C)Cc2cc(F)ccc2F)c(=O)[nH]c1=O 52362810 OAYNMFJRVJEMEW-UHFFFAOYSA-N 338.358 1.834 0 40 EDAB CN(Cc1ccc(OC(F)F)cc1)Cc1nc2c(cnn2C)c(=O)[nH]1 52798796 JFFMICBVMQMNQU-UHFFFAOYSA-N 349.341 1.890 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NC[C@](C)(O)C3CC3)CC2=O)cc1C 62021695 QXARBESLJTVIPB-LIRRHRJNSA-N 330.428 1.934 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)no1 58615023 JGAGXJZEFLHMCZ-NQBHXWOUSA-N 328.434 1.791 0 40 EDAB Cc1cc(NCC(=O)NCCc2ccccc2)ccc1-n1cnnn1 69492654 JPZLSHAEBOWPFT-UHFFFAOYSA-N 336.399 1.742 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)NCC(F)(F)F)C(N)=O)cc1 65473831 OFPOOQRKJBFLKT-NSHDSACASA-N 347.337 1.591 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)C1 87102724 AJDSYNLHDKAZOU-QKLQHJQFSA-N 342.487 1.436 0 40 EDAB CC(=O)Cc1nsc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)n1 5017009 KNIHJZXLRPPOMR-MRXNPFEDSA-N 345.380 1.780 0 40 EDAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(=S)S[C@H]1CC(=O)NC1=O 5575277 WTLZYWLCZTTYDO-JQWIXIFHSA-N 347.421 1.501 0 40 EDAB C[C@@H](c1ccccc1)n1cnc2c(N(CCO)CCO)ncnc21 5763400 AHNRSIGYTFFGDR-ZDUSSCGKSA-N 327.388 1.227 0 40 EDAB CC(C)Cc1nc2n(n1)[C@@H](C(=O)NCCc1ccccc1)CC(=O)N2 17071405 MAKLBGMNQBJIDG-CQSZACIVSA-N 341.415 1.719 0 40 EDAB CC(C)Cn1cnc(S(=O)(=O)NCc2nnc(C(C)C)n2C)c1 155094976 MYNSUSAHTNBKQB-UHFFFAOYSA-N 340.453 1.270 0 40 EDAB Cc1ccc(NC(=O)C[C@@H](C(=O)O)N2CCN(C)CC2)cc1Cl 19938595 RQWVRIQBWAZPPE-AWEZNQCLSA-N 339.823 1.678 0 40 EDAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)N1CCN(Cc2ccncc2)CC1 585149859 VZETXXHJEDXYMY-HZPDHXFCSA-N 344.459 1.134 0 40 EDAB Cc1ccnc(N2C[C@H]3CN(C(=O)c4csc(C)n4)C[C@@H]3C2)n1 1888843422 ZQKWEKJYJKRCMW-CHWSQXEVSA-N 329.429 1.758 0 40 EDAB COc1cccc(OC)c1C(=O)NCC1(O)CSCCSC1 1888860216 XRSUHSMCJHEXSK-UHFFFAOYSA-N 343.470 1.645 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@@H](C)[C@@H]2CCCO2)nn1-c1ccccc1F 27875519 YCQSBZOMWOLLDQ-LRDDRELGSA-N 345.374 1.977 0 40 EDAB C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)NC(N)=O 28849699 WVGYIYYZWIQIKG-SSDOTTSWSA-N 329.451 1.958 0 40 EDAB CC(C)n1nnnc1SCCOc1ccc(S(N)(=O)=O)cc1 30969051 UJCIQAUCVCIHAK-UHFFFAOYSA-N 343.434 1.073 0 40 EDAB COCCCN1CCC[C@@]2(CCCN(C(=O)C3=CC=NC(=O)C3)C2)C1 2056223390 IZJIWKKULNAIGN-LJQANCHMSA-N 347.459 1.655 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)CC3(O)CCC3)CC2)C1=O 1565544863 UCFIPSYDLUMTGP-KRWDZBQOSA-N 338.448 1.169 0 40 EDAB Cn1cc(CC(=O)N2CCN(c3cnsn3)CC2)c2ccccc21 1565523706 XTLOVHRGXLAHQG-UHFFFAOYSA-N 341.440 1.921 0 40 EDAB O=C(C1CC(O)C1)N1CCc2ncnc(-c3ccsc3)c2CC1 1565551241 BODNVMPVOULIEY-UHFFFAOYSA-N 329.425 1.903 0 40 EDAB Cc1ccc(C)c2c1s/c(=N\C(=O)CN1C(=O)CCC1=O)n2C 2714653 DYILFBSXGUAUPJ-MSUUIHNZSA-N 331.397 1.433 0 40 EDAB O=C(COc1ccccc1F)NCc1nnnn1-c1ccc(F)cc1 9571037 NFVDEUIAGUUNHR-UHFFFAOYSA-N 345.309 1.636 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2ccc3c(c2)OCO3)C1 2055772223 KFOXECUAQKEESB-SFHVURJKSA-N 342.399 1.349 0 40 EDAB COc1ccc(OC)c(NC(=O)C(=O)NCC2CCN(C)CC2)c1 22998969 MOINHEZJSKYRKC-UHFFFAOYSA-N 335.404 1.100 0 40 EDAB CN(C)c1nc(CNC(=O)c2cc3ccccn3c2)nc(N(C)C)n1 575605427 ALHRSSAJUZUPIN-UHFFFAOYSA-N 339.403 1.186 0 40 EDAB Cc1ccc(OCC(=O)N2CCN(c3cccnc3)C(=O)C2)cc1 618256775 MMOAUIKWJZBKPH-UHFFFAOYSA-N 325.368 1.644 0 40 EDAB CN1C(=O)N[C@H](c2ccc(O)cc2)C2=C1CN(C[C@@H]1CCCO1)C2=O 36678947 UAFMWOCKXPXOOI-XJKSGUPXSA-N 343.383 1.364 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)N(C)CC(=O)NCc2ccco2)c1C 23673883 ZELHPRSKMBHWKK-UHFFFAOYSA-N 331.372 1.816 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCOc1ccc(F)cc1 30481086 XQIITHZCAXXCQF-CQSZACIVSA-N 344.408 1.135 0 40 EDAB O=C(NCCNc1ncccn1)c1cc(Br)ccc1O 40108796 JYSTUDFFNIVSOJ-UHFFFAOYSA-N 337.177 1.787 0 40 EDAB CCCCN1C(=O)NC(=O)/C(=C(/C)NCCN2CCCCC2)C1=O 20294002 KQZGORUFIAPBMU-BUHFOSPRSA-N 336.436 1.214 0 40 EDAB CC(C)[C@H](CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1 40489483 QHEKVLQXVQRVJV-LBPRGKRZSA-N 348.369 1.375 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)N3C[C@H](C)OC[C@H]3C)ccc21 40499007 PPUITQZODYSLGK-NEPJUHHUSA-N 329.400 1.974 0 40 EDAB Cn1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)ccc1=O 40538991 WCXZEVMZMZWIIB-UHFFFAOYSA-N 325.368 1.442 0 40 EDAB O=C(NCc1ccco1)NC[C@@H](O)CN1CCc2ccccc2C1 40513525 ONXVQMZTNSKCRF-MRXNPFEDSA-N 329.400 1.498 0 40 EDAB COC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(F)c1 31811483 QYLYVNZCWCYXQS-INIZCTEOSA-N 346.362 1.769 0 40 EDAB NS(=O)(=O)c1ccc(CCNc2ncnc3ccccc23)cc1 31948986 JHGWGMIRONAYGU-UHFFFAOYSA-N 328.397 1.932 0 40 EDAB Cc1nn(CC(=O)Nc2ccc(N(C)C)nc2)c(=O)c2ccccc12 21342761 OJSVJEBSQIJRHI-UHFFFAOYSA-N 337.383 1.805 0 40 EDAB Cc1cc(=O)c(C(=O)NC[C@@H]2CCCO2)nn1-c1ccccc1F 32780748 YBTVLJPMXLHXCZ-LBPRGKRZSA-N 331.347 1.589 0 40 EDAB C[C@@H]1CN(CC(=O)N(C)c2nccs2)CCN1Cc1nccn1C 69453989 IIOHHCISSFUEMJ-CYBMUJFWSA-N 348.476 1.046 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3nnc(-c4ccco4)o3)CCO2)c1 69445564 HQIMIKGXDCTEGB-ZDUSSCGKSA-N 329.360 1.736 0 40 EDAB CC(C)(C)c1n[nH]c([C@H]2CN(Cc3noc(C4CC4)n3)CCO2)n1 76049681 LTUZCQVFLVOMQR-LLVKDONJSA-N 332.408 1.936 0 40 EDAB CNC(=O)c1ccc(CN(C(=O)c2ccc(=O)[nH]c2)C2CC2)cc1 78888634 HBWSSBFOSBDCSB-UHFFFAOYSA-N 325.368 1.539 0 40 EDAB O=C([C@H]1COCCO1)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 78901732 KAGZXVFHRSZBMF-MWLCHTKSSA-N 333.310 1.550 0 40 EDAB CC[C@@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1c(C)nn(C)c1C 79010690 UKUHFKGQWACAPQ-GXTWGEPZSA-N 333.436 1.551 0 40 EDAB COc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 32816015 QIFQHLXZJVZYFG-LLVKDONJSA-N 330.306 1.722 0 40 EDAB C[C@H]1C(=O)C[C@@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]3(O4)[C@@H]12 3881786 RQULTYIEQUNDLH-ASOVNHCESA-N 343.335 1.165 0 40 EDAB O=C(CN(C[C@H]1CCCO1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2)N1CCCC1 102707021 QXDMPEBCPUEROQ-NXOAAHMSSA-N 332.444 1.829 0 40 EDAB COC(=O)CCCNC(=O)[C@H](NC(=O)c1cccs1)C(C)C 21902806 MPRRRLJXZKCCHC-CYBMUJFWSA-N 326.418 1.572 0 40 EDAB CNC(=O)CNC(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 96008737 FSCMZIFJTQQFJK-UHFFFAOYSA-N 341.293 1.759 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 10044229 RMOCQGXSPXGSRB-OAHLLOKOSA-N 347.396 1.150 0 40 EDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccccc1F 101963784 GXGFXPWIXGOCLF-VWPFQQQWSA-N 338.331 1.212 0 40 EDAB CC[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22414233 LSPKURGOACRQGA-CYBMUJFWSA-N 340.445 1.370 0 40 EDAB COCCC(=O)N1[C@@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 100753026 JVFHOLDZVNWCHX-CHWSQXEVSA-N 327.384 1.349 0 40 EDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)N(C)Cc1ccccc1 33748036 XGGSSJVYLQABDK-CXUHLZMHSA-N 348.424 1.625 0 40 EDAB C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCOCC1 42629265 ZRNNPFLRBOWECZ-SNVBAGLBSA-N 341.205 1.426 0 40 EDAB O=C(Cc1ccc(F)cc1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 47635884 ZZAJKZFDCPXPKQ-WBVHZDCISA-N 336.407 1.222 0 40 EDAB CC(C)CCNC(=O)NC(=O)CN1CCN(c2ccccn2)CC1 23995883 OCAKYWISUBQYCJ-UHFFFAOYSA-N 333.436 1.076 0 40 EDAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O 104850939 OPDLGRLTSKKLMS-AHDPXTMNSA-N 329.352 1.321 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCCCNC1=O)c1ccc(-n2ccnc2)cc1 43148074 QEUZVKYWAAADGI-CZUORRHYSA-N 341.415 1.901 0 40 EDAB CN(C)C(C)(C)CNC(=O)N1CCC[C@@H]1c1nnc2ccccn12 43189924 MGSUIZJJLXCUCE-CYBMUJFWSA-N 330.436 1.916 0 40 EDAB O=C(N1CCOCC1)N1CCC2(CC1)CN(c1ccccn1)CCO2 107193392 VTJYWLWIUSFLOB-UHFFFAOYSA-N 346.431 1.205 0 40 EDAB Cc1cc([C@@H](C)NC(=O)C2CCN(S(N)(=O)=O)CC2)c(C)s1 25015379 XSBRBSBOKKDNAK-SNVBAGLBSA-N 345.490 1.458 0 40 EDAB Cc1n[nH]c(C)c1CNCCCN1CCN(c2ncccn2)CC1 97159530 ABDZHSKTGNPEDU-UHFFFAOYSA-N 329.452 1.118 0 40 EDAB COc1ncnc(N)c1CN[C@@H]1CCN([C@H](C)c2ccccc2)C1 107150760 NUZKVHZTLQPZEL-UKRRQHHQSA-N 327.432 1.993 0 40 EDAB C[C@@H](NC(=O)CS(=O)(=O)c1nccn1C)[C@H]1C[C@H]2CC[C@H]1C2 107313726 ODVYHNZKXKHJMC-MROQNXINSA-N 325.434 1.135 0 40 EDAB CCOC(=O)C1=C(N)N(c2ccccc2Br)C(=O)C1 3268447 YVEAYVIUNHRYHM-UHFFFAOYSA-N 325.162 1.919 0 40 EDAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnnn1C 3216998 YBRPGOPFPDLUPE-UHFFFAOYSA-N 327.797 1.911 0 40 EDAB C[C@H](CNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)N(C)C1CC1 57701404 DEZHDSOUDFNMMT-CZUORRHYSA-N 349.500 1.881 0 40 EDAB O=C(OCc1ccno1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 72301277 MVRZCCFORPRIAX-LLVKDONJSA-N 344.323 1.542 0 40 EDAB Cc1cc(C)cc(OC[C@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 58144652 DELTWVSGUIIWAO-RDTXWAMCSA-N 332.400 1.764 0 40 EDAB COc1ccc(CCCNC(=O)NCC(=O)N2CCCC2)cc1OC 58291238 SWHJFNKYXFGJSF-UHFFFAOYSA-N 349.431 1.558 0 40 EDAB CC(C)[C@@H](C(=O)NCc1cccnc1N(C)C)N1C[C@@H](C)O[C@H](C)C1 58290280 HILJEMNSEXOFBA-INMHGKMJSA-N 348.491 1.898 0 40 EDAB Cn1c(CN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)nc2ccccc21 72300821 UNQVBBXOJBDCBE-KPZWWZAWSA-N 341.415 1.383 0 40 EDAB COc1cccc(S(=O)(=O)CCSc2nnc(N)s2)c1 58280484 ZCOGSMMIYFOJPQ-UHFFFAOYSA-N 331.444 1.695 0 40 EDAB O=C(NCCN1CCCc2ccccc21)c1cnc2ccccn2c1=O 58230738 OQFGUIKJMQVJLR-UHFFFAOYSA-N 348.406 1.877 0 40 EDAB COc1ccc([C@H](C)NC(=O)NCCNc2ncccn2)cc1OC 44971423 WAGCFTYSBVAEDP-LBPRGKRZSA-N 345.403 1.966 0 40 EDAB Cc1ccc2c(c1)CCCN2C(=O)CSc1nc(N)cc(=O)[nH]1 10382501 OMBLIWXNOKDGOJ-UHFFFAOYSA-N 330.413 1.732 0 40 EDAB CN(CC(=O)NCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 36384428 PPRRRFWNLRSVPP-UHFFFAOYSA-N 336.395 1.671 0 40 EDAB CCN(CC)C(=S)SCC(=O)Nc1nc(OC)cc(OC)n1 11226300 HFBKZRYUOZDHHK-UHFFFAOYSA-N 344.462 1.792 0 40 EDAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CCC(N)=O)C1=O 11377010 IPSHVKIQINQKDO-CYBMUJFWSA-N 340.177 1.092 0 40 EDAB CN(C)c1cccc(C(=O)OCC(=O)NC(=O)c2cccn2C)c1 3526354 INQRUSHCYHKBFX-UHFFFAOYSA-N 329.356 1.205 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCN(c2nccs2)CC1 12973641 IAFKUYLZAZYSIF-UHFFFAOYSA-N 327.406 1.793 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)Nc1ncn(Cc2ccccn2)n1 69562599 LWIQBGCDIVLATI-UHFFFAOYSA-N 347.375 1.970 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N[C@H]2CCN3CCCC[C@H]23)cc1 69520554 UVIPMCNBVVYJJB-NGXUEJOTSA-N 327.428 1.802 0 40 EDAB O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)C1 13260663 CTBDYXLTZRXPJZ-VXGBXAGGSA-N 334.347 1.502 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cc(=O)n2ccccc2n1 69667279 DEZUSCGGYUQNAQ-DLBZAZTESA-N 340.427 1.670 0 40 EDAB COc1ccc(C(=O)N2CCN(c3nc(C)cc(OC)n3)CC2)cc1 69652394 RBTYMYJYCQQVEW-UHFFFAOYSA-N 342.399 1.765 0 40 EDAB Cc1noc(C)c1[C@H](C)C(=O)NS(=O)(=O)N1CCc2ccccc21 69656829 MVJQYGXEQAHESE-JTQLQIEISA-N 349.412 1.819 0 40 EDAB COc1cccc(CN2C(=O)C(=O)N(Cc3cc(C)no3)C2=O)c1 69654259 ZCAZSPWAILPCEI-UHFFFAOYSA-N 329.312 1.483 0 40 EDAB COCCc1noc(CN2CCCC[C@H]2Cn2nc(C)nc2C)n1 69601321 AAKLMBNZBOCJAS-AWEZNQCLSA-N 334.424 1.522 0 40 EDAB CCOC(=O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 13683854 DHUQLEYWZQTSLQ-UHFFFAOYSA-N 329.356 1.015 0 40 EDAB COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1 69740715 KZEPEQSPRMRGLH-WMLDXEAASA-N 345.443 1.225 0 40 EDAB c1cnnc(N2CCC[C@H](NCc3nc(-c4ccoc4)no3)C2)c1 69741787 QCXKQSGBSNUWNI-ZDUSSCGKSA-N 326.360 1.878 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(C)nn21 13728144 NBMOJDLPHUJAOV-SNVBAGLBSA-N 335.751 1.771 0 40 EDAB Cc1ccc(C[C@H]2CCCN(Cc3cc(=O)n(C)c(=O)n3C)C2)cc1 65260922 FZIAGIYNSXPBBQ-QGZVFWFLSA-N 341.455 1.847 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(Cc2cc(-c3ccco3)on2)CC1 39990593 QICGLNJBXOOEBI-HNNXBMFYSA-N 331.372 1.758 0 40 EDAB COC(=O)N1CCCN(C(=O)C(=O)Nc2ccccc2Cl)CC1 69893073 OMMRQWJETIGCMY-UHFFFAOYSA-N 339.779 1.579 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CNc1ccc(-n2cccn2)c(F)c1 65497062 LTPNUHGFOFGIMA-UHFFFAOYSA-N 342.378 1.815 0 40 EDAB O=c1c2ccsc2ncn1CCS(=O)(=O)NC1CCCCC1 14076173 QSUWQXWIWJQHSY-UHFFFAOYSA-N 341.458 1.710 0 40 EDAB O=C(CNC(=O)c1cc2ccccc2nc1N1CCCC1)NC1CC1 65568086 ZQABKHAPOLTUFV-UHFFFAOYSA-N 338.411 1.843 0 40 EDAB COCCN(C)C(=O)NC1CCC(C(=O)N2CCSCC2)CC1 65592028 BYOIYHSZVGRSAK-UHFFFAOYSA-N 343.493 1.408 0 40 EDAB COCCN(CCCc1ccccc1)C(=O)CCN1C(=O)CCC1=O 65591605 KPKUPDXKWKYXEI-UHFFFAOYSA-N 346.427 1.633 0 40 EDAB O=C(CN1C(=O)c2cccnc2C1=O)N[C@@H]1CCCc2ccccc21 65537584 WXELEUDXCPEZNK-OAHLLOKOSA-N 335.363 1.871 0 40 EDAB O=C(Nc1ccc(F)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 18182250 DZJSXQDWVMYOOR-CQSZACIVSA-N 341.408 1.162 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCN(C(N)=O)C2)c(C)cc1Br 92331913 BFUMLHMNHQJNSW-SNVBAGLBSA-N 340.221 1.949 0 40 EDAB CC(C)OCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 21780589 VNIHEGUYKAVIOQ-LBPRGKRZSA-N 346.424 1.424 0 40 EDAB Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C)c2)cc1 408552722 NFETXVOSVDKWHZ-UHFFFAOYSA-N 325.368 1.997 0 40 EDAB COc1cccc(N(CCCC(=O)N2CCCC2)S(C)(=O)=O)c1 113967430 RLELUHPWDXDRRF-UHFFFAOYSA-N 340.445 1.864 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1C(=O)NC1CC1 8157255 QCNWSAVLHCZKMX-UHFFFAOYSA-N 334.401 1.720 0 40 EDAB CC(C)N(CCCO)C[C@@H](O)COCc1ccc2c(c1)OCO2 70019195 VGWAPOGEJKYRST-OAHLLOKOSA-N 325.405 1.386 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2CC(=O)Nc2c(C)nn(C)c2C)c1 70040096 PGACJGRWAPAOPT-HNNXBMFYSA-N 330.436 1.645 0 40 EDAB O=C1C[C@@H](C(=O)N2CCCC[C@@H]2Cn2cccn2)CN1CC1CC1 70038637 MYMAFQAWHXZGCX-HZPDHXFCSA-N 330.432 1.523 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)C1 70039758 DYACJVYMBJPFHW-MJBXVCDLSA-N 327.454 1.138 0 40 EDAB COC(=O)c1cccn1C1CCN(c2ncnc3[nH]cnc23)CC1 69378767 BXBHNSMABFFOTB-UHFFFAOYSA-N 326.360 1.783 0 40 EDAB NC(=O)[C@H]1CCCN(CCCNC(=O)NCCc2cccs2)C1 69366946 WINWUFXOLHYNEI-ZDUSSCGKSA-N 338.477 1.177 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)N3C[C@@H](C)C[C@H](C)C3)nn12 8393390 BVIKNKLJSROLED-QWRGUYRKSA-N 331.376 1.094 0 40 EDAB Cc1ccc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)cc1O 9337219 VDMHTOUUSMWNKR-UHFFFAOYSA-N 334.250 1.246 0 40 EDAB O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2nnn[nH]2)CC1 71796056 INHXVUHHYRIMJZ-UHFFFAOYSA-N 334.424 1.784 0 40 EDAB Cc1cc(C)n2ncc(-c3noc(CCCNC(=O)C4CC4)n3)c2n1 96405273 IMTBFLNYCCXFLA-UHFFFAOYSA-N 340.387 1.855 0 40 EDAB C[C@H](C(=O)N1CCN([C@@H](C)C(N)=O)CC1)c1cc2ccccc2o1 96451300 VNSPRQYJXFKMCW-STQMWFEESA-N 329.400 1.554 0 40 EDAB CCCNC(=O)NC(=O)CNC1(c2ccc(F)cc2)CCOCC1 71886838 BFIRQIRICCNVBI-UHFFFAOYSA-N 337.395 1.657 0 40 EDAB COc1nc(C(=O)N2CCCN(C(C)=O)CC2)cc2ccccc12 71830449 QYLDUMRGWLJREE-UHFFFAOYSA-N 327.384 1.938 0 40 EDAB C[C@H](O)CN1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 71877409 BKKCFAGDMYFFDC-WMZOPIPTSA-N 331.460 1.349 0 40 EDAB C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC(Nc2cccnn2)CC1 71863442 AEQWUEMEEMINJS-HIFRSBDPSA-N 334.420 1.464 0 40 EDAB CCOc1ccc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 71908944 KLSVFGGIIHPLDI-QGZVFWFLSA-N 347.459 1.222 0 40 EDAB COc1cc(CCNC(=O)c2ccc(=O)[nH]c2)ccc1OC(F)F 9690320 JSGRMGONQDVVFI-UHFFFAOYSA-N 338.310 1.957 0 40 EDAB O=C([C@H](NCc1nnc(C2CC2)o1)c1ccccc1)N1CCOCC1 72581832 YXMCSGKNQPSZFU-MRXNPFEDSA-N 342.399 1.637 0 40 EDAB O=C(CN1CCCS1(=O)=O)NCCc1cccc2ccccc12 84598400 HWRPDQNDUAHMMM-UHFFFAOYSA-N 332.425 1.534 0 40 EDAB NC(=O)c1ccccc1NC(=O)CN1CCOC[C@@H]1c1ccccc1 72895281 CZLCXHCLIZECEL-QGZVFWFLSA-N 339.395 1.798 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)c2cc3ccccc3[nH]2)n1 72294728 FJLICMCLIYNJKF-UHFFFAOYSA-N 332.385 1.661 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)n1 72235450 XBQLNMNKFKJYLQ-HZPDHXFCSA-N 336.436 1.644 0 40 EDAB CC(C)(C)CC(=O)NCC(=O)Nc1ccn(CCCn2ccnc2)n1 72287525 GYMMNFQQKGFSGD-UHFFFAOYSA-N 346.435 1.661 0 40 EDAB O=C(c1cc2ccccc2[nH]1)N1CC[C@@H](S(=O)(=O)NC2CC2)C1 95434489 TUDGKSNHVQCFQH-CYBMUJFWSA-N 333.413 1.464 0 40 EDAB O=C(NCC1CCS(=O)(=O)CC1)N[C@H]1C[C@H]1c1ccccc1F 95440264 ITBJIWSYMHFTHB-ZFWWWQNUSA-N 340.420 1.806 0 40 EDAB CNC(=O)[C@H](NC(=O)CN1CCC(C)CC1)c1ccc(F)c(F)c1 95416774 NLSQXNUSEUBWDM-MRXNPFEDSA-N 339.386 1.600 0 40 EDAB Cn1cc([C@@]2(C)NC(=O)N(Cc3nc4ccc(F)cc4o3)C2=O)cn1 95454027 SQFORMRTAYNSFF-MRXNPFEDSA-N 343.318 1.668 0 40 EDAB C[C@@H](NC(=O)CCc1ccc(F)cc1F)C(=O)N1CCSCC1 95973022 CSFMPCHISHHBIA-LLVKDONJSA-N 342.411 1.978 0 40 EDAB CCN1CCO[C@H](CNCc2ccc(OCc3nccn3C)cc2)C1 75133679 AENXISNIGOXKCQ-GOSISDBHSA-N 344.459 1.809 0 40 EDAB CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(F)cn2)CC1=O 75137939 LHGSFHFBBJQTKT-TZMCWYRMSA-N 334.395 1.492 0 40 EDAB O=C(NCc1nnc2n1CCC2)NC[C@@H](O)c1ccc(F)c(F)c1 89768298 CFIXBYYQYNAHIY-GFCCVEGCSA-N 337.330 1.035 0 40 EDAB COCCOc1ccc(NC(=O)N2CCCN(C(C)=O)CC2)cn1 89930548 BTTCGXRRBSNBGL-UHFFFAOYSA-N 336.392 1.193 0 40 EDAB COc1ccc(CNC(=O)Cn2cnc3cc(N)ccc32)cc1OC 61718392 XOXDVQCFMFMGDH-UHFFFAOYSA-N 340.383 1.952 0 40 EDAB O=C(Nc1nccs1)[C@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 408736962 KHLPMOCNVJKVKO-CHWSQXEVSA-N 347.396 1.854 0 40 EDAB C[C@@H](NC(=O)C(=O)Nc1cccn(C)c1=O)C(C)(C)c1ccccc1 126731364 KKNXNQJALYOAQZ-CYBMUJFWSA-N 341.411 1.806 0 40 EDAB COC(=O)c1ncn(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)n1 76608876 KTLHNJZMETXVQC-UHFFFAOYSA-N 341.346 1.927 0 40 EDAB C[C@@H](c1nnnn1C)N1CCCC[C@H](NC(=O)c2ccccc2)C1 1034082769 LWWCTOGKPNXGOK-ZFWWWQNUSA-N 328.420 1.556 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCc2nn(C)c(=O)cc2C1 187706085 GHMZQGJCXVCBOK-GFCCVEGCSA-N 347.440 1.303 0 40 EDAB COCC(=O)Nc1ccc(NS(=O)(=O)[C@@H]2CCCC[C@H]2O)cc1 78551956 ZPVOVVPQVMXINX-ZIAGYGMSSA-N 342.417 1.317 0 40 EDAB O=c1[nH]ncc(NCc2ccccc2CN2CCOCC2)c1Cl 32806400 DBZAUKWJGZFZBK-UHFFFAOYSA-N 334.807 1.868 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)c1ccsc1)Cc1cccnc1 560416024 REICZCASPDWSFW-NSHDSACASA-N 326.399 1.365 0 40 EDAB Cc1nc(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc2nncn12 560831740 XANHEHFGPMMVBG-PBHICJAKSA-N 327.363 1.737 0 40 EDAB O=C1CC(C(=O)NCCc2nc(C3CCCCC3)cs2)CC(=O)N1 78917829 HOZMTMRUPWTFBJ-UHFFFAOYSA-N 349.456 1.902 0 40 EDAB CCCCCNc1ccc(S(=O)(=O)NCCOC)cc1C(=O)O 217599012 BICASAGFXZJKFZ-UHFFFAOYSA-N 344.433 1.912 0 40 EDAB COc1ccccc1CNC(=O)c1c(O)n2cccc(C)c2nc1=O 136831756 KDICXSCJZDVXBX-UHFFFAOYSA-N 339.351 1.647 0 40 EDAB O=C(CCc1c[nH]c2ccccc12)N1C[C@@H](O)[C@H](N2CCOCC2)C1 216520198 QAZIKZBFRXCQLE-QZTJIDSGSA-N 343.427 1.004 0 40 EDAB Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCCc2cccc(O)c21 565724604 HGWMZDHHKMZTPS-UHFFFAOYSA-N 347.396 1.336 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCC(NC(=O)OCc2ccccc2)CC1 79428175 NWDZJCVJRLHSSM-INIZCTEOSA-N 333.432 1.887 0 40 EDAB C[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cncc(C(=O)O)c1 563071674 GTYAMFCZOGVZPB-LLVKDONJSA-N 332.381 1.915 0 40 EDAB COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c(O)cc(C)[nH]c1=O 72405721 OTNZHMUFLIHSEW-GFCCVEGCSA-N 345.351 1.855 0 40 EDAB Cc1ccc([C@@H](O)CNS(=O)(=O)c2ccc3c(c2)OCCO3)o1 49026868 TZGDJGSGTWQLSO-LBPRGKRZSA-N 339.369 1.371 0 40 EDAB Cc1ccccc1OCC(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1 225801281 CMVHTLPVKCUOIC-UHFFFAOYSA-N 340.339 1.429 0 40 EDAB C[C@H]1CN(CCN2CCC(CCCN3CCOCC3)CC2)CCO1 192793156 QUXQIVSKSOXEFV-SFHVURJKSA-N 339.524 1.532 0 40 EDAB Cc1c(S(=O)(=O)N[C@@H](C(=O)O)c2ccc(Cl)cc2)cnn1C 570902063 YXQMCJOQHYKWRK-GFCCVEGCSA-N 343.792 1.486 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2cccc(C)c2)s1 225196849 VSVXESKMHGBOGR-UHFFFAOYSA-N 340.430 1.674 0 40 EDAB Cc1ccc(CN(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O)cc1 225233260 ICLSOECLYCDJIT-AWEZNQCLSA-N 326.462 1.917 0 40 EDAB COc1cncc(O[C@H]2CCN(C(=O)COc3ccccc3C)C2)n1 225393101 AWABFAZWDHHFMS-AWEZNQCLSA-N 343.383 1.852 0 40 EDAB C[C@@H](NC(N)=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 61603834 YAAZPOGZZGSERQ-GFCCVEGCSA-N 339.395 1.962 0 40 EDAB CCOC(=O)c1cc(C(C)=O)nn(-c2cc(C)ccc2OC)c1=O 225967678 VSAOLBPRLXKABZ-UHFFFAOYSA-N 330.340 1.929 0 40 EDAB CC(C)CCS(=O)(=O)N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 583616353 HXDXVKLMBVSZFP-HNNXBMFYSA-N 344.481 1.518 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@@H]2CN(CC3CC3)C[C@H]1O2 96253470 FXFQCMGWOUXIGJ-JKIFEVAISA-N 330.384 1.853 0 40 EDAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1nc(C(=O)O)co1 577642884 YVZCJQNBIIAFBG-SECBINFHSA-N 339.373 1.213 0 40 EDAB Cc1cnc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)cn1 97372184 KKXWIPQADZSWKG-CQSZACIVSA-N 330.775 1.752 0 40 EDAB CN(C)c1ncc(CNC(=O)N2CCc3ccccc3[C@H]2CO)n1C 95417277 MUSLDJNAZFUICF-MRXNPFEDSA-N 343.431 1.287 0 40 EDAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1ccncc1)C2 96039772 NMKAMUPDZSGQJE-MJGOQNOKSA-N 347.459 1.558 0 40 EDAB Cn1ccnc1C(=O)N[C@@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12 96185929 XDYHJAHRAIOXEE-YRGRVCCFSA-N 347.444 1.038 0 40 EDAB CCN(C)S(=O)(=O)N(Cc1ccccc1)CC1(O)CCCC1 96486243 RJHCJDIQNJVGJC-UHFFFAOYSA-N 326.462 1.990 0 40 EDAB Cn1cc(N2CC[C@]3(CCN(C(=O)c4ccccn4)C3)C2=O)cn1 96050543 UQBBGHCHIDYGLY-KRWDZBQOSA-N 325.372 1.084 0 40 EDAB Cc1cc(CNC(=O)Cc2ccccc2)nc(N2CCOCC2)n1 96121289 XVRJBONKFSMPBM-UHFFFAOYSA-N 326.400 1.481 0 40 EDAB O=C(c1ccnnc1)N1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 96107679 PKDDJACKKGMAJJ-GUYCJALGSA-N 344.346 1.463 0 40 EDAB Cc1c(C(=O)O)c(NCC2(N3CCOCC3)CC2)nc2ccccc12 579013445 CBXTYOLNSUTLLK-UHFFFAOYSA-N 341.411 2.518 0 40 EDAB C[S@@](=O)CCNC(=O)NCCOc1ccc(Br)cc1 96408801 NIHKYRYRPHJXAU-IBGZPJMESA-N 349.250 1.506 0 40 EDAB O=C(c1ccncn1)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1 96220762 DYMGOZAHJRRZMQ-RDTXWAMCSA-N 339.399 1.747 0 40 EDAB C[C@H](NC(=O)c1cnn(C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 96420901 RRAMOTQIAVDDKD-YOEHRIQHSA-N 328.416 1.439 0 40 EDAB CN(C)CCOC[C@@H]1CN(C(=O)N2CCCC2)Cc2ccnn2C1 96189005 GZDSLOUOQHLFSX-OAHLLOKOSA-N 335.452 1.109 0 40 EDAB Cc1noc([C@]23COC[C@H]2CN(C(=O)/C=C/c2cccs2)C3)n1 96110060 HEQNGJCJDVJWNA-PONCJWPGSA-N 331.397 1.879 0 40 EDAB Cc1cccc(NC2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 96428196 NSPFSSHDLJRVIG-UHFFFAOYSA-N 336.417 1.784 0 40 EDAB O=C1CCC[C@@]2(CCCN(c3ncccn3)C2)N1CCN1CCCC1 96230009 WFJLBJHBEJRDOR-IBGZPJMESA-N 343.475 1.924 0 40 EDAB CCN(C)c1ccnc([C@H]2COCCN2C(=O)Cc2ccco2)n1 96217808 AZFYDRHDWZFOQE-CQSZACIVSA-N 330.388 1.668 0 40 EDAB C[C@H](CNC(=O)C(=O)Nc1ccccc1-n1cccn1)N(C)C1CC1 96410757 AAUFNGXVVGLKDE-CYBMUJFWSA-N 341.415 1.410 0 40 EDAB Cn1nnnc1COc1cccc(C(=O)N2CCc3ccccc3C2)c1 96101348 LCOFCDLEMWSRCU-UHFFFAOYSA-N 349.394 1.988 0 40 EDAB Cn1cc(N2CC[C@@]3(CCN(C(=O)c4ccncc4)C3)C2=O)cn1 96050540 VSTFZSDDCZYION-QGZVFWFLSA-N 325.372 1.084 0 40 EDAB CCn1cc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)ccc1=O 96413510 FVVQRBKRNJQBSI-SJCJKPOMSA-N 339.395 1.856 0 40 EDAB COc1cc(N2CC3(C2)OCC[C@@H]3CCNc2ccccn2)ncn1 247874501 GLGXFAYZSFSPAQ-AWEZNQCLSA-N 341.415 1.978 0 40 EDAB C[C@H]1CN(Cc2c(Cl)cccc2C(=O)O)CCN1S(C)(=O)=O 584785194 BNLMJNPGIMPVDF-JTQLQIEISA-N 346.836 1.504 0 40 EDAB CN(C)C(=O)CN1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 247941558 AFORUXZAZPGLCO-CQSZACIVSA-N 328.478 1.078 0 40 EDAB COc1cc(NC(=O)Cn2nc(C)n(C)c2=O)c(OC)cc1Cl 585090270 SBSBRLAQZHHWJF-UHFFFAOYSA-N 340.767 1.200 0 40 EDAB CCn1cc(CN2CCNC[C@H]2c2cccc(C(=O)NC)c2)c(C)n1 257227907 FRNBEGXVYMKABX-SFHVURJKSA-N 341.459 1.718 0 40 EDAB CC(=O)Nc1cc(F)ccc1C(=O)N1CC[C@@H](CN2CCOCC2)C1 585137767 SCGDCRHDFCFZGS-AWEZNQCLSA-N 349.406 1.578 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1[C@H](O)c1ccccc1 585127182 SBAVUXPWAVUMKN-OWCLPIDISA-N 337.441 1.536 0 40 EDAB CCCC(=O)N1CCC[C@@H](C(=O)Nc2cncnc2-n2cccn2)C1 585126852 JZPIONDSDBAZQC-CYBMUJFWSA-N 342.403 1.640 0 40 EDAB CS(=O)(=O)c1ccc(CCC(=O)N2CC[C@H](n3nccn3)C2)cc1 253471121 BGSBFKVQTKARAA-AWEZNQCLSA-N 348.428 1.088 0 40 EDAB CC(=O)N1CCN(Cc2ccc3[nH]ccc3c2)[C@@H](C(=O)N(C)C)C1 257317494 VJYDZVOHWYOVDA-QGZVFWFLSA-N 328.416 1.289 0 40 EDAB C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ncc(C(=O)N(C)C)cc2Cl)CC1=O 608094378 FDKJOUXOIOFROI-CDMKHQONSA-N 336.823 1.858 0 40 EDAB O=S(=O)(CCCC(F)(F)F)Nc1ccccc1-n1cnnn1 252510487 ZLXWKDDEFXXOME-UHFFFAOYSA-N 335.311 1.747 0 40 EDAB 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Cc1csc(CNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1 1615589575 YYFNULCJOIWGEE-ZUZCIYMTSA-N 336.417 1.234 0 40 EDAB CCOc1ccc([C@@H](C)NC(=O)C[C@H](O)CN(C)C)cc1OCC 1615585762 DQOZSYFKMKBQKA-HIFRSBDPSA-N 338.448 1.974 0 40 EDAB O=S(=O)(C[C@@H]1CCCN1S(=O)(=O)C1CC1)c1ccccc1 96025536 CDUCHCZVOKQDJJ-LBPRGKRZSA-N 329.443 1.417 0 40 EDAB CO[C@@](C)(CNC(=O)C(=O)Nc1ccon1)c1cccc(Cl)c1 96393027 TWMMWTCPTZIGDT-HNNXBMFYSA-N 337.763 1.945 0 40 EDAB CC(C)c1nnc(NC(=S)N[C@]2(C)CCS(=O)(=O)C2)s1 575423632 PEESMGOYWALVFU-LLVKDONJSA-N 334.492 1.525 0 40 EDAB Cn1cnc(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)c1 575402732 GEFDJKXDCPLFLA-AWEZNQCLSA-N 342.399 1.515 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)CCCn3cncn3)C2)c1 585271415 GOXFISFUCCIXLZ-GOSISDBHSA-N 344.415 1.409 0 40 EDAB CO[C@]1(COc2ccccc2)COCCN(Cc2cncn2C)C1 585268859 BRFSRYREOVTBOB-SFHVURJKSA-N 331.416 1.717 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)CCc1c(C)noc1C 585288208 RLRHWOITPLUCLJ-FMKPAKJESA-N 326.393 1.111 0 40 EDAB O=C(Cc1ccccn1)N1CCO[C@](CO)(Cc2ccccc2F)C1 585278052 PRNFSHRLBFBKTE-LJQANCHMSA-N 344.386 1.596 0 40 EDAB CN(C)C(=O)C[C@]1(O)COCCN(Cc2cccc3cccnc23)C1 585281286 VJZQNDVVEDYGJN-LJQANCHMSA-N 343.427 1.276 0 40 EDAB CCN1CCN(C(=O)[C@H](C)N2CCC[C@H](c3nc(C)no3)C2)CC1 52861572 PTTHXCFVDTVUIC-ZFWWWQNUSA-N 335.452 1.110 0 40 EDAB CCOC(=O)c1c(C)n[nH]c1S(=O)(=O)N(C)Cc1cccnc1 55963306 XYUWIDMSTHYQRL-UHFFFAOYSA-N 338.389 1.111 0 40 EDAB O=C(O)CS(=O)(=O)CCN1CCC[C@H](c2ccc(F)c(F)c2)C1 863532752 RMQXPACDRBXHIH-LBPRGKRZSA-N 347.383 1.644 0 40 EDAB Cc1nnc2n1C[C@H](CN[C@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 72252940 SVAVCZNGISFIMS-PWSUYJOCSA-N 348.838 1.814 0 40 EDAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1cccc(C(=O)O)c1)CS2 95352030 CIVKQYHNMJAHCI-LRDDRELGSA-N 334.397 1.455 0 40 EDAB COC(=O)C1(NC(=O)c2ccc(O)c(F)c2F)CCSCC1 1616042272 PNCRNBJDQUVANS-UHFFFAOYSA-N 331.340 1.839 0 40 EDAB CN(C)CCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 12194338 UHANZGBQBNCSJG-UHFFFAOYSA-N 339.461 1.298 0 40 EDAB Cn1nccc1C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 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EDAB C[C@H](C(=O)Nc1ccccc1F)N1C(=O)c2ccccc2S1(=O)=O 4940707 MUIGFJRBJWBOLG-SNVBAGLBSA-N 348.355 1.997 0 40 EDAB C[C@@H]1S[C@H](C)C(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 17244047 SOONQBLHRZDIBN-OCAPTIKFSA-N 328.340 1.782 0 40 EDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)CC(C)C)CC1 2055782114 OKCCHPJQCCSXGL-UHFFFAOYSA-N 336.436 1.010 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2ccc(F)cc2)C1 2055772513 PJJOTHXNWPUSHQ-GOSISDBHSA-N 344.390 1.329 0 40 EDAB CC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCN(C)CC2)cc1 22999093 WYSJEDKNBKKTQJ-UHFFFAOYSA-N 332.404 1.042 0 40 EDAB COC[C@@](C)(CNS(=O)(=O)c1cc(Cl)ccc1OC)OC 575613603 UWCQHHDBLLEWSR-CYBMUJFWSA-N 337.825 1.678 0 40 EDAB COC(=O)c1ccc(CSc2nn3c(=O)c(C)nnc3s2)o1 4347097 YAHWDXVFJZHLLX-UHFFFAOYSA-N 338.370 1.526 0 40 EDAB COc1cccc(OCCNS(=O)(=O)c2ccc3c(c2)CCO3)c1 40071776 SBBIPFHGRKFWHP-UHFFFAOYSA-N 349.408 1.987 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)cc1 100152958 YFLHPSZYOOQOHT-TXEJJXNPSA-N 327.402 1.865 0 40 EDAB O=C(NCc1ccccc1Cl)C(=O)Nc1n[nH]c2ncccc12 40266280 CDFKIXYELILPRE-UHFFFAOYSA-N 329.747 1.866 0 40 EDAB Nc1nccnc1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 40485099 AIDVSXMZTNYEPD-UHFFFAOYSA-N 334.763 1.804 0 40 EDAB COc1ccc2nc(C)c(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2c1 40477887 ALEPWQNAOSDPNR-GFCCVEGCSA-N 334.397 1.469 0 40 EDAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCNC(=O)C1 40514008 USOPEFBOXWPAEJ-UHFFFAOYSA-N 333.388 1.753 0 40 EDAB CN1CCN(CCCCNC(=O)c2cnn(-c3ccccc3)n2)CC1 40514234 YOQMQIQUCBPHPF-UHFFFAOYSA-N 342.447 1.025 0 40 EDAB CNC(=O)c1cc(C(=O)Cn2cnc3ccsc3c2=O)cn1C 31849346 KDXUPOGWCUSHQG-UHFFFAOYSA-N 330.369 1.039 0 40 EDAB O=C(CCCNC(=O)[C@H]1COc2ccccc2O1)Nc1ccccn1 20745222 ZOQFODNCCBRIEN-OAHLLOKOSA-N 341.367 1.757 0 40 EDAB CC[C@@H](NC(=O)OCC1=Cc2ccccc2S1(=O)=O)C(=O)O 101466452 MVDRBIHLJOPPCQ-LLVKDONJSA-N 325.342 1.404 0 40 EDAB COc1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)cc1OC 32469325 PHURIWCMYZJIQP-LBPRGKRZSA-N 341.429 1.893 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)c2cccc(-n3cnnn3)c2)c1 32772621 ADGMGQFZYXIUJN-UHFFFAOYSA-N 343.368 1.318 0 40 EDAB Cc1cc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)n(C)n1 29635374 MCVDSTPNNWITQI-UHFFFAOYSA-N 329.404 1.195 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)n(C)c1 29774745 UOUODBISXIGUFX-UHFFFAOYSA-N 339.392 1.311 0 40 EDAB CC1CCN(C(=O)c2ccccc2NC(=O)[C@H]2CCC(=O)N2)CC1 60398435 OBVJXDUYRMDWOO-OAHLLOKOSA-N 329.400 1.776 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)c1C 32819560 AXDIXEGTJVZETO-OAHLLOKOSA-N 339.395 1.887 0 40 EDAB Cc1cccc(NC(=O)CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 32888454 FBUKCORLOJNUKG-MRXNPFEDSA-N 345.443 1.504 0 40 EDAB CC(C)[C@@H](NC1CCOCC1)C(=O)Nc1ccc(-n2ccnc2)nc1 76019209 JCXGBBPIAKCXAC-QGZVFWFLSA-N 343.431 1.999 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)n1 78896682 UMOGPHIPLDRQDE-WCQYABFASA-N 339.871 1.998 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)c3cc(COC)oc3C)CCO2)n1 78888738 DJSWQJDMJATDGQ-CYBMUJFWSA-N 334.376 1.629 0 40 EDAB Cc1cc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccn2)no1 79504245 XHQORFDLQIURTI-HNNXBMFYSA-N 328.372 1.641 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCCCO)cc1 6326672 AHOALLMTHRSXJC-UHFFFAOYSA-N 342.461 1.052 0 40 EDAB O=c1cc(CN[C@H]2CCCN(c3cccnn3)C2)nc2ccccn12 69902258 SQGZGRBXKUIQKR-AWEZNQCLSA-N 336.399 1.243 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCc1ccc(C(=O)NC3CC3)cc1)CC2 69921960 CWZCGQVGXYUPIW-INIZCTEOSA-N 325.416 1.583 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1ccc2c(c1)N=C(O)CO2 61089862 WAJKVIAJUPRJQC-UHFFFAOYSA-N 337.339 1.682 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2)C(=O)O 816454 ZKZUQZYHFGMYJW-AWEZNQCLSA-N 348.380 1.793 0 40 EDAB COc1ccc([C@@H](CC(=O)N[C@@H](C)Cn2ccnc2)NC(C)=O)cc1 42532469 NAXPCGYNNHWDTN-SUMWQHHRSA-N 344.415 1.664 0 40 EDAB CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2F)C1=O 47359099 KIOJNZOHDJMWNX-HNNXBMFYSA-N 325.315 1.258 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H](C(N)=O)c1ccccc1 54550676 CHJUXDQFJSIPOP-MRXNPFEDSA-N 335.367 1.532 0 40 EDAB CC(C)CO[C@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69972540 UEFWQSBUKXCQCS-AEFFLSMTSA-N 334.460 1.925 0 40 EDAB 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QNOWHNNPAVWDLJ-CQSZACIVSA-N 334.445 1.238 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCO2)cc1 25394049 QNZVISOJXRVYSL-HNNXBMFYSA-N 340.445 1.512 0 40 EDAB COC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@H]1N2Cc1ccccc1 100186371 MMUMROJPLZJRGC-CLCXKQKWSA-N 345.395 1.715 0 40 EDAB O=C(CNC(=O)[C@H]1CCCN1Cc1ccccc1)NCC(F)(F)F 57175407 LCCAQQFBOUXFQU-CYBMUJFWSA-N 343.349 1.446 0 40 EDAB Cn1nnc2cc(C(=O)N3CCN([C@@H]4C[C@H]5CC[C@H]4C5)CC3)ccc21 108095221 XVLZGLKNQVZCCM-SUNYJGFJSA-N 339.443 1.915 0 40 EDAB COc1ccc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 107746747 ARRYSNRQDNUHPZ-AEFFLSMTSA-N 340.427 1.823 0 40 EDAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nn1cnc2ccccc21 57827956 DYQNJZQENUHUBU-LLVKDONJSA-N 348.366 1.801 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccc2c(c1)OCO2 27337267 JULSKKFLOWKQSP-UHFFFAOYSA-N 327.296 1.483 0 40 EDAB COc1cc([C@H](C)NC(=O)c2n[nH]c(=O)[nH]2)ccc1OCC(C)C 58149818 YKWPXCKLCNQGRR-JTQLQIEISA-N 334.376 1.632 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ncc(C)s1 177869996 RVWULWPWZJNSOC-RYUDHWBXSA-N 345.490 1.833 0 40 EDAB CC[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20244994 FWEGRHLDOHZISU-NSHDSACASA-N 331.413 1.353 0 40 EDAB C[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N1CCOCC1 58210060 FFOKCJIQWAQNNR-CQSZACIVSA-N 342.395 1.582 0 40 EDAB O=C1CCCN1CCCNS(=O)(=O)c1cnn(-c2ccccc2)c1 58269089 UFSQEABCOJJCPP-UHFFFAOYSA-N 348.428 1.163 0 40 EDAB Cc1cccc([C@@H](CNC(=O)NCc2cc[nH]n2)N2CCOCC2)c1 48234161 VEIRBVDWIZQNEE-QGZVFWFLSA-N 343.431 1.591 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NC[C@@H]1CCCO1 48263642 ACJRUCYPZNERSC-OCCSQVGLSA-N 340.445 1.972 0 40 EDAB O=C(NCCNc1cnccn1)c1cccc(OC[C@H]2CCCO2)c1 44915351 MXQAHBFZHFHZDP-MRXNPFEDSA-N 342.399 1.876 0 40 EDAB CC(C)[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1 44967148 RLXLGYQDWYSZHZ-OAHLLOKOSA-N 339.461 1.671 0 40 EDAB COc1ccc(-c2noc(=O)n2CC(=O)N2CCCCC2)cc1OC 58341897 XYRFHTNXAIAENC-UHFFFAOYSA-N 347.371 1.533 0 40 EDAB CN(CC(=O)NC[C@H](O)COc1cccc(F)c1)Cc1ccccc1 58312519 OQIMIBYBVJGAOX-KRWDZBQOSA-N 346.402 1.814 0 40 EDAB C[C@@H](O)[C@H]1CCN(C(=O)NCCc2ccc(Br)o2)C1 97108050 JFKFJJFUPLIPML-ZJUUUORDSA-N 331.210 1.997 0 40 EDAB C[C@H](C(=O)NCCS(N)(=O)=O)c1c(Cl)cccc1Cl 69421139 ZVLRDIMOTKXZMK-ZETCQYMHSA-N 325.217 1.502 0 40 EDAB Nc1nccnc1C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 12930048 DVMACJQIXHAVCS-UHFFFAOYSA-N 339.277 1.603 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3cnc(C)cn3)CC2)cc1F 12995078 IHAURNGMSMEMOR-UHFFFAOYSA-N 344.390 1.891 0 40 EDAB Cc1noc([C@@H](C)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 69413685 PUZAJADKWFOOQN-DOMZBBRYSA-N 329.404 1.283 0 40 EDAB Cc1csc2nc(CN3CCO[C@H](Cn4cccn4)C3)cc(=O)n12 69489480 HGVYSXPAEDIXNQ-AWEZNQCLSA-N 345.428 1.162 0 40 EDAB c1cnc(-c2nc(CN3CCC[C@@H]3Cn3cncn3)cs2)nc1 69452861 YLQCSGYGJYKCPI-CYBMUJFWSA-N 327.417 1.856 0 40 EDAB CCc1nc2c(c(OCCOC)n1)CCN(Cc1cnn(C)c1)CC2 306124400 BORZZRMQSWJVAG-UHFFFAOYSA-N 345.447 1.399 0 40 EDAB CN(C)S(=O)(=O)N(C)CCOC(=O)c1cn(C)c2ccccc12 69626307 UDOAMUVXFHCHQV-UHFFFAOYSA-N 339.417 1.073 0 40 EDAB CN1CCN(CCNC(=O)Cc2cccc(OC(F)F)c2)CC1 69633083 VLFMCCFYYYXEIL-UHFFFAOYSA-N 327.375 1.194 0 40 EDAB O=C(NCc1cccnc1)NC1CCN(CCc2ccncc2)CC1 69619407 DDLWJMPFESARSU-UHFFFAOYSA-N 339.443 1.983 0 40 EDAB Cc1ccc2c(COC(=O)C3=NN(C)C(=O)CC3)cc(=O)oc2c1 17734158 VVHKIPIMZJVTSN-UHFFFAOYSA-N 328.324 1.753 0 40 EDAB CCN(CC)C(=O)CCNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C 69776230 DWDRFRBAOBDITJ-GFCCVEGCSA-N 343.493 1.309 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCC2=CCCCC2)C1 20041251 FFBRYUCYDGQJPQ-OAHLLOKOSA-N 343.493 1.512 0 40 EDAB COc1ccc(C)cc1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 14116305 RKHBXBMWVVWRSV-UHFFFAOYSA-N 345.399 1.832 0 40 EDAB CC(C)CN(Cn1ncc2ccccc2c1=O)[C@H]1CCS(=O)(=O)C1 14197979 GENYLOHQZQBHCN-HNNXBMFYSA-N 349.456 1.499 0 40 EDAB COC(=O)C[C@@H]1NC(=O)N(CN(C)Cc2ccc(C(C)C)cc2)C1=O 14139319 FBQRQYIPUGISDJ-HNNXBMFYSA-N 347.415 1.683 0 40 EDAB COc1ccc(NC(=O)CN2CSCC2=O)c(C(=O)NC2CC2)c1 69737642 QEWUOHVGVOWZPX-UHFFFAOYSA-N 349.412 1.059 0 40 EDAB CO[C@@H](CNC[C@H]1CNc2c(C(N)=O)cnn2C1)c1ccccc1 69739565 SHJICEIHRHTEMD-WFASDCNBSA-N 329.404 1.001 0 40 EDAB Nc1nccnc1C(=O)O[C@@H](C(=O)N1CCCCC1)c1ccccc1 5506426 ZMTWADFDENCQGN-OAHLLOKOSA-N 340.383 1.969 0 40 EDAB NC(=O)c1cnn2c1NC[C@@H](CN[C@H]1CCCOc3ccccc31)C2 69815605 LJELZOCXVDPRRD-DOMZBBRYSA-N 341.415 1.527 0 40 EDAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccccc1 14852785 AKYUGWKEOOOHBB-UHFFFAOYSA-N 346.408 1.516 0 40 EDAB CCc1ccc(NC(=O)CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 69815784 FAPUECZZQJWFNO-MRXNPFEDSA-N 336.457 1.839 0 40 EDAB C[C@@H](C(=O)N(C)CC1CCN(C)CC1)n1nnc(-c2ccccc2)n1 80031188 DSJWMABHEXLXFH-AWEZNQCLSA-N 342.447 1.701 0 40 EDAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(Cl)cn1 15403634 IBOCXHGITTUGHW-UHFFFAOYSA-N 331.807 1.891 0 40 EDAB Cc1ccccc1OCC(=O)Nc1nnc(S(C)(=O)=O)s1 9165142 HWNIIZYPZWANMY-UHFFFAOYSA-N 327.387 1.268 0 40 EDAB Cc1c(Br)cccc1CN1CCN(CC(N)=O)CC1 90511963 DKWAAGQYFWHVNO-UHFFFAOYSA-N 326.238 1.360 0 40 EDAB C[C@H](Cn1cccn1)N[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 69387254 LXQJTUDPSSDHPO-IIAWOOMASA-N 328.416 1.890 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc2c(c1)CCO2 69370080 DQWGCIOTJXQUQB-LKUPDRCFSA-N 336.391 1.848 0 40 EDAB Cn1c(=O)c2[nH]c(CSc3ncc(C(C)(C)C)o3)nc2n(C)c1=O 96009504 XTRNRAWNXWLAQE-UHFFFAOYSA-N 349.416 1.538 0 40 EDAB C[C@H](Cc1cccs1)C(=O)NCCNc1ncnc2c1cnn2C 97212620 GXIWUDJUJOVMPD-LLVKDONJSA-N 344.444 1.832 0 40 EDAB Cc1nn2c(nnc3c(=O)n(-c4nc[nH]n4)ccc32)c1-c1ccccc1 19818945 UCCATLJSICZCOA-UHFFFAOYSA-N 344.338 1.522 0 40 EDAB COC(=O)c1sc2ccccc2c1CNS(=O)(=O)N(C)C 71796156 RBGSZHHNBZSGAZ-UHFFFAOYSA-N 328.415 1.584 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cc(C(N)=O)cs2)n1 71870234 ZQOYLLZNHNETAP-CYBMUJFWSA-N 332.429 1.965 0 40 EDAB C[C@@H](NC(=O)CN(C)S(C)(=O)=O)c1nc(C(C)(C)C)cs1 71882901 OAWCUHRMRNDMFS-SECBINFHSA-N 333.479 1.509 0 40 EDAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 71824348 FZXNFTFUZSMDIB-IXDOHACOSA-N 348.468 1.121 0 40 EDAB Cc1cnn([C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 71882199 YSYIFAWBDREYEO-GRYCIOLGSA-N 349.460 1.918 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(Cc2ncc[nH]2)CC1 71896940 ZOKUPEYAMGBDLS-UHFFFAOYSA-N 346.456 1.405 0 40 EDAB Cc1ccc(S(=O)(=O)C2(C(=O)NCCCC(N)=O)CCC2)cc1 71825483 ABRUUNNKDLNFKE-UHFFFAOYSA-N 338.429 1.073 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)NCc2ccc(Cl)cc2)C[C@H]1C 71864213 SVICYFUOXIEJFC-ZIAGYGMSSA-N 339.867 1.343 0 40 EDAB Cc1cc(=O)c(OCC(=O)Nc2ccc(Cn3cncn3)cc2)co1 72401103 VDQGXKWWGPVBSU-UHFFFAOYSA-N 340.339 1.606 0 40 EDAB Cc1ccc(C)c(NC(=O)CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 71904650 IISWZWNPDIMMMO-UONOGXRCSA-N 326.462 1.995 0 40 EDAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccn1C1CCNCC1 95393837 XQRZUVBTZTXIPH-OAHLLOKOSA-N 341.411 1.982 0 40 EDAB CC(C)(C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)n1cc(Cl)cn1 72269545 DETFFZCINNQNHO-KBPBESRZSA-N 340.855 1.329 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1=O 72294699 ZMMNQXGHVIZEJH-RTXFEEFZSA-N 337.420 1.027 0 40 EDAB O=S(=O)(N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccccc1F 95436038 FOQCJRHYGNLRMS-DZGCQCFKSA-N 339.388 1.589 0 40 EDAB O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cccc(-n2ccnn2)c1 95439386 MUAYFYDPOHQAJL-LBPRGKRZSA-N 339.321 1.634 0 40 EDAB COCCOc1ccc(C(=O)N(CC(=O)O)C[C@H]2CCCO2)cc1 95424819 MLKZSXKWCJZZRN-OAHLLOKOSA-N 337.372 1.418 0 40 EDAB C[C@H](OCC1CC1)C(=O)N(C[C@@H]1CN(C)CCO1)c1nccs1 95402143 HVEPWKCSINFKKU-JSGCOSHPSA-N 339.461 1.622 0 40 EDAB O=C(C1CC(F)(F)C1)N1CC2(C[C@@H](Oc3ncccn3)CCO2)C1 306140877 VFYWBESTJGTSQY-LBPRGKRZSA-N 339.342 1.661 0 40 EDAB COC(=O)c1nnsc1NS(=O)(=O)c1ccc(Cl)cc1 20722081 WAKVOWVYJOLCMU-UHFFFAOYSA-N 333.778 1.779 0 40 EDAB O=S(=O)(CCN1CCC(Cn2ccnn2)CC1)c1ccccc1 95973442 RWCLPOLJGROHBY-UHFFFAOYSA-N 334.445 1.464 0 40 EDAB CN(C)C(=O)N1CCC(N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1 95985030 UAPGGWCKVNLTFF-MRXNPFEDSA-N 344.459 1.807 0 40 EDAB Cc1cc(Br)ccc1CNC(=O)NCc1ncnn1C 89587658 XCGORRJMQGVONU-UHFFFAOYSA-N 338.209 1.885 0 40 EDAB O=C(CN1CCCC1=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 118700425 RJFFHEMPLLACGJ-CVEARBPZSA-N 332.400 1.930 0 40 EDAB COC[C@@H]1C[C@@H](OC)CN1C(=O)N[C@@H]1CCc2nc(C)ncc2C1 551942782 VMKRXPOQTNSOIL-QLFBSQMISA-N 334.420 1.088 0 40 EDAB O=C(c1cccc(-c2noc(C3CC3)n2)c1)N1CCNCCNCC1 1548584105 COVVLCCEHIKYNF-UHFFFAOYSA-N 341.415 1.249 0 40 EDAB O[C@@]1(c2ccccc2)CCN(Cc2cnc(N3CCOCC3)nc2)C1 43286524 XFNHLWZJNBWEOB-IBGZPJMESA-N 340.427 1.407 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1ccccc1 72237995 ONYIZJNBFFNHMT-DLBZAZTESA-N 325.368 1.296 0 40 EDAB O=C(N[C@@H]1CCOc2ccc(F)cc21)[C@H]1COCCN1CC(F)F 187658239 ZXSFFPHDXREIGR-CHWSQXEVSA-N 344.333 1.731 0 40 EDAB CCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 33764010 CQYONZZZSWRRNF-GFCCVEGCSA-N 328.434 1.587 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)Nc2ccon2)[C@H]1c1ccc(Cl)cc1 72241412 BYEIQGAKGPFQCU-ZIAGYGMSSA-N 335.747 1.865 0 40 EDAB CCn1c2cc(C)oc2c2cnn(CC(=O)NCCOC)c(=O)c21 72335349 AMAAGBWBEVMYOQ-UHFFFAOYSA-N 332.360 1.035 0 40 EDAB O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(O)nn1 78917095 OXVULVOERPKBLG-NSHDSACASA-N 348.353 1.855 0 40 EDAB Cc1nn(C)cc1CN1CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)O)CC1 36611010 FFGWFCFJTNACMP-JKSUJKDBSA-N 346.431 1.040 0 40 EDAB CN1CCC(N2CCOC[C@H]2c2nc(-c3ccncc3)c[nH]2)CC1 72322057 CHTJAFNEKWCIQP-KRWDZBQOSA-N 327.432 1.939 0 40 EDAB biogenic,in-vitro O=C(N[C@]1(C(=O)O)CCSC1)c1cncc(Br)c1 43508715 LSMUERGOEJPRLM-LLVKDONJSA-N 331.191 1.534 0 40 EDAB CCS(=O)(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1 36391313 VQWCGDFHMNGTMH-UHFFFAOYSA-N 330.837 1.884 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2c3ccccc3CCC[C@@H]2C)CCO1 185616322 QPZQPQUDLRDULN-JQFCIGGWSA-N 345.443 1.857 0 40 EDAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 75161454 CBQOVZRDSGNMNL-CYBMUJFWSA-N 342.374 1.719 0 40 EDAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccn2C)C3)C1 72335613 XJJAFRWAEQZFFI-CQSZACIVSA-N 341.459 1.903 0 40 EDAB Cc1cc(N2CCC(NC(=O)Cc3ccc4c(c3)OCO4)CC2)n[nH]1 225750878 IWBVIWAVMSPYGH-UHFFFAOYSA-N 342.399 1.775 0 40 EDAB O=C(CCN1CCSC1=O)NC1CCN(c2ncccn2)CC1 44938993 QYZNDNPESCTQGF-UHFFFAOYSA-N 335.433 1.121 0 40 EDAB COc1ccc([C@@H](CC(=O)NCCC(C)C)NS(C)(=O)=O)cc1 225957231 JDUYUHYFBZSPRD-OAHLLOKOSA-N 342.461 1.838 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)c1nn(C)c2c1CS(=O)(=O)CC2 40714266 GVGYPCCKJUWNSE-LLVKDONJSA-N 345.424 1.482 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2nn(C)c(=O)c3ccccc23)s1 75148990 UZMJSWWLESHUPH-UHFFFAOYSA-N 349.437 1.782 0 40 EDAB C[C@]1(c2ccccc2)CN(S(=O)(=O)NCC(F)(F)F)CCO1 195385078 RALWXLKNYYZDDQ-GFCCVEGCSA-N 338.351 1.631 0 40 EDAB CNC(=O)c1cc(NC(=O)N2CCN3CCCC[C@H]3C2)ccc1F 89391733 XGMXMIBWCKQNLM-ZDUSSCGKSA-N 334.395 1.887 0 40 EDAB Cn1cnnc1CN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 577130638 JHUMDGJJGBXJPQ-SNVBAGLBSA-N 328.342 1.947 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2OCc2nnnn2C)C1 96101377 MLYZLSQKNDZEQZ-CHWSQXEVSA-N 329.404 1.907 0 40 EDAB CCS(=O)(=O)C(Br)(Br)[C@@H](O)C1CC1 96520932 USZKMUFNPCGPFL-LURJTMIESA-N 336.045 1.636 0 40 EDAB CC(C)n1cnc2c1C[C@@H](C(=O)NCCN(C)C)C(=O)N2CC1CC1 96264841 HFGRUXXFKFYESA-AWEZNQCLSA-N 347.463 1.057 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(CCCN(Cc3nccs3)C2)C1 96215845 ZZKSGBMYTRVHSN-AWEZNQCLSA-N 329.491 1.781 0 40 EDAB Cn1ncc2c1[C@H](COCC1CC1)CN(C(=O)C1CCOCC1)C2 96060129 HKQOUBHXQJUDPR-INIZCTEOSA-N 333.432 1.699 0 40 EDAB CCc1nn(C)c(CC)c1CNC(=O)Nc1cc(CCOC)nn1C 96484529 KHJVLBBFVPBJAO-UHFFFAOYSA-N 348.451 1.789 0 40 EDAB O=C1CO[C@@]2(COCCN(Cc3ccccn3)C2)CN1c1ccoc1 96051402 RVYZURWQMNSMHY-GOSISDBHSA-N 343.383 1.309 0 40 EDAB Cc1noc(CN2CCN(C(=O)N[C@H]3C[C@H]3c3ccccc3)CC2)n1 96415339 DZBIZAJFUXJRGD-HOTGVXAUSA-N 341.415 1.761 0 40 EDAB O=C(c1ccco1)N1CCO[C@@H]2CN(c3ncc(F)cn3)CC[C@@H]2C1 96082406 QCAHSPUCHZSAEW-IUODEOHRSA-N 346.362 1.576 0 40 EDAB Cc1nc(CO[C@H]2CN(C(=O)c3cccnc3)[C@@H]3COC[C@@H]32)cs1 96185088 YKJSNNZDBSGSPG-XHSDSOJGSA-N 345.424 1.903 0 40 EDAB CO[C@H](CNC(=O)N1CCN(Cc2ccncc2)CC1)C(C)(C)C 96489011 YARKKTGDLSJIEX-MRXNPFEDSA-N 334.464 1.970 0 40 EDAB CC(C)Oc1ccc(C(=O)N[C@H]2CCc3nn(C)c(=O)cc3C2)cc1 238890279 QNHUPNLLAVHRDJ-HNNXBMFYSA-N 341.411 1.855 0 40 EDAB O=C(NC1CC1)[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H]2OCC[C@H]21 96041168 PQULBHUVLFCWGO-RLFYNMQTSA-N 344.411 1.531 0 40 EDAB Cc1ccoc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CCN1CCCC1 96186300 CGHJLFXLHMNYHD-HOTGVXAUSA-N 345.443 1.889 0 40 EDAB Cc1cc(C)c(C(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)[nH]1 583618985 PPKUTRUPUJPDKC-QGZVFWFLSA-N 331.420 1.928 0 40 EDAB CO[C@H](C)CC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C 583623118 OMFGTDGECMFZHI-RDBSUJKOSA-N 326.416 1.216 0 40 EDAB CCn1cc2c(n1)CN(S(=O)(=O)N(C)C)C[C@@H]2COCC1CC1 96045250 HLZSRVORBQRUMR-CYBMUJFWSA-N 342.465 1.035 0 40 EDAB Cc1ccc(C(=O)N2CCCn3nnc(COCC4CC4)c3C2)cn1 96258965 SQXBSOASGCVUHC-UHFFFAOYSA-N 341.415 1.954 0 40 EDAB CC(=O)N1[C@H]2CCN(Cc3ccncc3)C[C@H]2C[C@@H]1CN1CCCC1 96185600 VGTRHISWODUGQX-AQNXPRMDSA-N 342.487 1.989 0 40 EDAB O=C(c1ccccn1)N1CC2(CC[C@@H](CN3CCOCC3)CO2)C1 247802744 GZNDSVMPIQQYTA-HNNXBMFYSA-N 331.416 1.035 0 40 EDAB Cc1noc(C)c1CCCNC(=O)NC[C@H](C)N1CCOC[C@H]1C 245281345 ATNOBHLFFXZCLS-QWHCGFSZSA-N 338.452 1.632 0 40 EDAB CO[C@@H]1CN(S(=O)(=O)c2cccc3nsnc23)CC[C@H]1C 248664113 JJMXDUAOKMTPKT-MWLCHTKSSA-N 327.431 1.737 0 40 EDAB Cn1c(=O)n([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(=O)c2ccccc21 242592222 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EDAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)c1cncs1 257271488 MYOFTHLODFOCMH-INIZCTEOSA-N 332.429 1.642 0 40 EDAB CN1C(=O)CCC[C@H]2CN(C(=O)c3cccc4c3OCCO4)CC[C@H]21 257273265 NFXAFPDHZXQFNZ-DZGCQCFKSA-N 344.411 1.931 0 40 EDAB Nc1ccccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 256053398 RHEWAVPNQGCZIQ-UHFFFAOYSA-N 335.404 1.919 0 40 EDAB Cc1ncsc1C(=O)N(C)C[C@]1(O)CCCN(c2ncccn2)C1 257332593 XXYMANYSYUFXNF-MRXNPFEDSA-N 347.444 1.345 0 40 EDAB O=C1[C@H](N2C(=O)[C@H]3CCCN3C2=O)CCN1Cc1ccc(F)cc1 253431634 HROHDBJJOHSSLN-ZIAGYGMSSA-N 331.347 1.353 0 40 EDAB CC(=O)N1CCC(NC(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 43879619 YEGXMUVIAPWWMD-OAHLLOKOSA-N 347.415 1.479 0 40 EDAB COc1ccc([C@H](NC(=O)Cc2c(C)nn(C)c2C)C(=O)O)cc1 262174947 OGMQXZGAKUGENU-INIZCTEOSA-N 331.372 1.530 0 40 EDAB O=C(Nc1ccccc1)NC1CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 262748400 JBLRUNWPAGQANN-UONOGXRCSA-N 331.372 1.520 0 40 EDAB CCc1nnc(CNC(=O)c2cc(-n3ccnc3C)ccn2)s1 1615001785 XFFXSUBILYDSDC-UHFFFAOYSA-N 328.401 1.920 0 40 EDAB O=C(N[C@@]12CCC[C@H]1NCC2)c1cccn(CC(F)(F)F)c1=O 1615544884 DRRNIMOJZOQNGL-BXUZGUMPSA-N 329.322 1.425 0 40 EDAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCO)c1ccc(-c2cn[nH]c2)cc1 1098029547 UWRMXQPZGSMAQZ-ZACQAIPSSA-N 326.400 1.404 0 40 EDAB O[C@H](CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)Cn1cccn1 298699681 HNCPFNHYASQUJW-HZPDHXFCSA-N 344.463 1.442 0 40 EDAB O=C(c1ccc(F)c(F)c1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122051 HSJCORCDWGQMRK-UHFFFAOYSA-N 341.335 1.997 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575405608 SOUFJQOUIDJRHC-CYBMUJFWSA-N 326.356 1.324 0 40 EDAB Cc1cccc(F)c1C(=O)N1C[C@@H]2C[C@@H](CC(=O)N3CCC3)O[C@@H]2C1 585109596 XXDISFVSFBCNLH-OFQRWUPVSA-N 346.402 1.986 0 40 EDAB Cc1ccc(C[C@]2(CO)CN(C(=O)c3n[nH]cc3Cl)CCO2)cc1 585279350 YIGAOPPZGZNQHM-QGZVFWFLSA-N 349.818 1.818 0 40 EDAB O=C(c1ccnc(O)c1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585287719 CCALGCGZQHANEH-FRQCXROJSA-N 340.379 1.547 0 40 EDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)c3ccnnc3)CCO2)cc1 585276516 PJSUFFRUEJQQFB-SFHVURJKSA-N 327.384 1.231 0 40 EDAB Cc1cnn(C)c1-c1cnc2n1CCN(C(=O)[C@@H]1CCOC1)CC2 585111660 ZMAAAVBHUFBHIT-CYBMUJFWSA-N 329.404 1.013 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccccc2-n2ccnc2)CC1 56862349 IJGRWGQACVHNMG-UHFFFAOYSA-N 327.388 1.279 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC(NC(=O)c2ccsc2)CC1 57028836 LTTSZXFMQORVKN-UHFFFAOYSA-N 345.490 1.529 0 40 EDAB COc1ncccc1C(=O)N(C)C1CCN(C[C@H]2CCOC2)CC1 75141665 DGMGDWXDWZNJHV-CQSZACIVSA-N 333.432 1.663 0 40 EDAB Cn1cnc(CNC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1 91775410 MEMGRXWDFGKLJV-UHFFFAOYSA-N 348.838 1.496 0 40 EDAB CC1CC(S(=O)(=O)NCCNC(=O)c2ccc(Cl)cc2)C1 1616033746 DCAFIAIKBSTRGW-UHFFFAOYSA-N 330.837 1.788 0 40 EDAB CC1(C)CCC[C@@H]1C(=O)NCCc1nnc2c(=O)n(C3CC3)ccn12 1616032065 IFBLBGMWNMSWSA-CYBMUJFWSA-N 343.431 1.711 0 40 EDAB c1cncc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c1 12142552 VQNRZZXAQLZWDV-MAUKXSAKSA-N 337.427 1.970 0 40 EDAB Cc1noc(C)c1CCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 14711215 ORZBKGIHMIOCEG-UHFFFAOYSA-N 348.403 1.756 0 40 EDAB C[C@@H]1Cc2cc([C@@H](O)CN3CCN(c4cnccn4)CC3)ccc2O1 19498055 CUYSGNLFFPOTSS-PBHICJAKSA-N 340.427 1.656 0 40 EDAB CC(=O)N1CC[C@@H](c2ccnc3c(CN4CCOCC4)c(C)nn23)C1 19707944 YQWYSJHKHLTADQ-OAHLLOKOSA-N 343.431 1.206 0 40 EDAB COc1cccc(C(=O)N2CC[C@@H](C(=O)Nc3cn(C)nc3C)C2)c1 19750234 GPWVPKJWRNNGRY-CQSZACIVSA-N 342.399 1.838 0 40 EDAB CCCCNC(=O)[C@@H]1CSCN1C(=O)Cc1c[nH]c2ncccc12 158162638 CPPKWYLNDBAONN-AWEZNQCLSA-N 346.456 1.923 0 40 EDAB C[C@@H](C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O)n1cncn1 153254854 SYEZBNADONUNBL-AAEUAGOBSA-N 331.351 1.290 0 40 EDAB Cc1cc(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)ncn1 516526093 PLRJUUDCJRDHMO-UHFFFAOYSA-N 340.383 1.818 0 40 EDAB CCCN(C(=O)C1(c2cccc(F)c2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O 643585399 GLDWTPOJOAGNLB-OAGGEKHMSA-N 337.391 1.217 0 40 EDAB Cn1nc2c(c1CN1CCO[C@@H](C(=O)N3CCCCC3)C1)CCCC2 1888850128 TUOAWDILNJZFJD-GOSISDBHSA-N 346.475 1.512 0 40 EDAB COCc1nsc(N2CCC[C@@H](N(C)c3ncc(C)cn3)C2)n1 1888860068 XYUCSSDKXTVENH-GFCCVEGCSA-N 334.449 1.888 0 40 EDAB Cc1cc(N2CCN(c3nc(C)ns3)CC2)nc(N2CCCC2)n1 1889077960 BENVDXHYPSISFZ-UHFFFAOYSA-N 345.476 1.872 0 40 EDAB CC(=O)N1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 22197714 XUWMOPYEZLDGFN-UHFFFAOYSA-N 327.787 1.972 0 40 EDAB COc1cnc(O[C@@H]2CCN(c3cc(C)nc(SC)n3)C2)nc1 2087131096 DSMLLFKLODZSFO-LLVKDONJSA-N 333.417 1.963 0 40 EDAB COCCNC(=O)Cn1cc(OCc2ccccc2F)c(=O)cc1C 12230458 CZCMPGUYCXJQLB-UHFFFAOYSA-N 348.374 1.637 0 40 EDAB O=C(c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2)N1CCCCC1 2055713611 NLBOWKFIECISDJ-CQSZACIVSA-N 330.432 1.694 0 40 EDAB CCN1C[C@@H]2CN(C(=O)c3ccnc(C(F)(F)F)c3)C[C@@H]2C1=O 2055782241 SSIFCPSVTDDKAI-MNOVXSKESA-N 327.306 1.651 0 40 EDAB COC(=O)C12C[C@H]3C[C@@H](CC(NC(=O)c4ccc(=O)oc4)(C3)C1)C2 101415504 ITBSCAOBBJWEIB-SKLAPFLYSA-N 331.368 1.882 0 40 EDAB Cc1ccccc1/C=C/C(=O)NCc1nc(N(C)C)nc(N(C)C)n1 575607342 MIXMRNWLJPPQHU-ZHACJKMWSA-N 340.431 1.642 0 40 EDAB O=C(O[C@@H]1CCOC1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575615332 CZFFGZBPPVKSHM-YPMHNXCESA-N 345.442 1.835 0 40 EDAB Cc1ccc(OCc2cc(=O)n(C)c(=O)n2C)c(Br)c1 40477975 LZPGHSDRBYRAHC-UHFFFAOYSA-N 339.189 1.734 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CSCC(=O)N23)cn1 40554199 DIUZXVZSLJTWIW-HZMBPMFUSA-N 339.442 1.436 0 40 EDAB COc1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(C(C)C)C2=O)cc1 51381961 AMDWPZZESOSZLL-SJKOYZFVSA-N 336.388 1.401 0 40 EDAB CC1(C)Cc2nc3sc4c(=O)n(CC(N)=O)cnc4c3cc2CO1 205448 BORBXYQXXUVYGY-UHFFFAOYSA-N 344.396 1.343 0 40 EDAB CC(=O)CCc1ccc(OC[C@@H](O)CN2C(=O)C[C@@H](C)C2=O)cc1 101456342 PDSDCSUJYDUZAO-DOMZBBRYSA-N 333.384 1.343 0 40 EDAB COc1cc(NC(=O)c2nccnc2C(=O)O)cc(OC)c1OC 20857531 IHQKYYVPRDUYET-UHFFFAOYSA-N 333.300 1.453 0 40 EDAB Cc1ccsc1C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101572724 KSNPNDLSMDAVDE-CYDGBPFRSA-N 330.409 1.593 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1F 102263244 SIMXXCSHJIABPD-OKILXGFUSA-N 330.359 1.702 0 40 EDAB COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)C[C@@H]1CCCO1 46117655 DIOKHRRUJUMHCZ-RYUDHWBXSA-N 327.402 1.616 0 40 EDAB CS(=O)(=O)NCCC(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 69917475 JECJSPTWEYSDQI-HNNXBMFYSA-N 342.436 1.689 0 40 EDAB Cc1noc(Cl)c1CC(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 76056856 OQZARRKZWKZGFD-GWCFXTLKSA-N 327.812 1.358 0 40 EDAB CCOc1ncccc1C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 76060218 ILRYNZGNJXUADD-LLVKDONJSA-N 343.387 1.322 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H]3CCCN(c4ccccc4)C3=O)CCO2)n1 76048587 YYHDFRGJZNGRTR-CVEARBPZSA-N 341.415 1.682 0 40 EDAB O=C1CSC(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)=N1 1470952 WRUKYQPRXQLUQL-UHFFFAOYSA-N 347.274 1.603 0 40 EDAB CCC12OC3(CC)C4C(=O)OC1C1(CC)OC4(CC)C3C(=O)OC21 1725687 QVIHNLUGOBUDKF-UHFFFAOYSA-N 336.384 1.739 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)/C=C/c2cccc(Cl)c2)CC1 46771770 VHBPTWUVOHDCEL-AATRIKPKSA-N 342.848 1.893 0 40 EDAB CN1CCN(C(=O)CN(C)c2cnccn2)[C@@H](c2ccccc2)C1 32941333 RDCIUUMTCQHUHL-MRXNPFEDSA-N 325.416 1.428 0 40 EDAB Cc1cc(COC(=O)c2cccc(N3CCCS3(=O)=O)c2)on1 21833602 LNSGCRWIEZJBFB-UHFFFAOYSA-N 336.369 1.880 0 40 EDAB COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1 4854732 FYEKAEVDROTGCY-XJKSGUPXSA-N 343.383 1.324 0 40 EDAB Cc1cc2nc(SCC(=O)Nc3cc(C)on3)n(C)c(=O)c2[nH]1 57521249 FOSPJLSPSSRIRL-UHFFFAOYSA-N 333.373 1.597 0 40 EDAB COc1ccccc1CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O 8329057 YWYKGMPOHMFQQK-UHFFFAOYSA-N 345.399 1.566 0 40 EDAB C[C@H](C(=O)N1CCc2ccccc21)N1CCO[C@H](Cn2cccn2)C1 69391681 RPRVHBGFGDDFCX-WBVHZDCISA-N 340.427 1.562 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1nc(C)n2c1CCCC2 102699110 NPVARZJLIAHPKG-JURCDPSOSA-N 331.416 1.845 0 40 EDAB Cc1cccc(Cn2cc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cn2)c1 102014892 GPJXSXZTXRZBOT-QAETUUGQSA-N 337.379 1.907 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3cccc(Cl)c3C)N2N1 10152880 HCBIJCUVSRKDDX-LBPRGKRZSA-N 347.806 1.903 0 40 EDAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)CC(N)=O 46979038 GYSOOQXTBQEDQG-SSDOTTSWSA-N 349.612 1.814 0 40 EDAB CC(C)C[C@@H](CNC(=O)c1ccc2[nH]nnc2c1)N1CCOCC1 22970231 HODOWIQKKOTMED-AWEZNQCLSA-N 331.420 1.435 0 40 EDAB 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O=S(=O)(C1CC1)N1CCO[C@H]2CCN(Cc3ccoc3)CC[C@H]21 247307175 HHJDPSPTYHJBCN-CVEARBPZSA-N 340.445 1.437 0 40 EDAB CN(C(=O)CCCn1cccn1)[C@@H]1CCCC[C@@H](n2ccnc2)[C@@H]1O 257229444 FYDQBJNEKKJOBQ-JFIYKMOQSA-N 345.447 1.863 0 40 EDAB O=C(NCCc1ccco1)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 585122029 KXCOLUFIAZOCIC-HIFRSBDPSA-N 343.301 1.749 0 40 EDAB CCn1cc(S(=O)(=O)N2Cc3ccccc3NC(=O)[C@@H]2C)cn1 585115020 JFXAXFRWSJVKBP-NSHDSACASA-N 334.401 1.435 0 40 EDAB CCOc1cccc(CNC(=O)c2cc(N3CCOCC3)ncn2)c1 585121444 PLFOJYGOKMPHPP-UHFFFAOYSA-N 342.399 1.642 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)sc1Cl 252533161 GBDWOPQFJFWOJU-SNVBAGLBSA-N 338.882 1.397 0 40 EDAB Cc1nc[nH]c1CN1CCC[C@@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257212478 CDPSDVMPPFYFJV-LBPRGKRZSA-N 337.449 1.299 0 40 EDAB Cc1cc(C[C@H]2COCCN(C(=O)CCc3ccnn3C)C2)ncn1 257263000 LNXZBFPWMSGORK-OAHLLOKOSA-N 343.431 1.169 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ocnc3C)CC2)C[C@@H](O)C1(C)C 257278110 OAUPHMMDKAHFDA-CQSZACIVSA-N 349.431 1.597 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@H]2COc1ncccc1F 253489082 CVRFJUAWAZDKAG-NSHDSACASA-N 330.381 1.040 0 40 EDAB CN1CCC(c2nccnc2CNC(=O)CCCn2ccnc2)CC1 257206345 BCXWQSFFAAWRFP-UHFFFAOYSA-N 342.447 1.579 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(Cc2cscn2)C1 257220880 DMPNDQGKRBVOCA-NSHDSACASA-N 340.474 1.724 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 277647452 KOHKILYKMKENHT-LLVKDONJSA-N 331.338 1.629 0 40 EDAB O=S(=O)(CCC1CCOCC1)N1CCOc2ncccc2C1 606444897 DHVALLGLRQLBMA-UHFFFAOYSA-N 326.418 1.423 0 40 EDAB COC(=O)c1occc1CNC(=O)Cc1cccc2c1CCNC2 602521861 SUDRNKVXGZOQLC-UHFFFAOYSA-N 328.368 1.571 0 40 EDAB NS(=O)(=O)C[C@H]1CCN(C(=O)c2cnn(C3CCCCC3)c2)C1 1615038710 GFOBOZUVYXZKGF-LBPRGKRZSA-N 340.449 1.139 0 40 EDAB O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccn(Cc2ccccc2)n1 390834234 UYBMZQCQAGGCSA-UHFFFAOYSA-N 345.366 2.364 0 40 EDAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)/C=C/c2csc(C)n2)C1 585290701 UHNHGIXSUCYOKX-DWTRPJMMSA-N 337.445 1.738 0 40 EDAB Cc1c(CN2Cc3ccnn3CC[C@@H]2CN2CCOCC2)cnn1C 585097475 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40 EDAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)NC(C)=C1C(=O)OC 17068230 GMVHFLQNNQCMPM-LLVKDONJSA-N 332.356 1.607 0 40 EDAB COc1c(C)cc(S(=O)(=O)NCC2CCN(C)CC2)cc1C 22999756 QDYLSRAQRCJFSE-UHFFFAOYSA-N 326.462 1.932 0 40 EDAB CCN1CCN(S(=O)(=O)c2ccc(CCC(=O)O)cc2)CC1 5133317 VNDFCRJSZVJISG-UHFFFAOYSA-N 326.418 1.030 0 40 EDAB in-vitro C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)O)CC2)[C@H]1c1ccccc1 563067293 DNSWYGNPAJCAJF-SWLSCSKDSA-N 338.429 1.721 0 40 EDAB CCC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cnc4n3CCC4)C[C@H]21 1014612500 LFUKTWQEYUKWSC-MGPQQGTHSA-N 330.432 1.596 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccncc5)C[C@@H]4C3)n1)CCC2 1888866482 QOPKFIKPFQQTCT-HOTGVXAUSA-N 349.438 1.877 0 40 EDAB O=C(NCCOc1cccc(F)c1)N1CCN(c2cnccn2)CC1 31147920 KFJQWVHVSXENEK-UHFFFAOYSA-N 345.378 1.526 0 40 EDAB CCc1cnc(OC2CCN(C(=O)c3snnc3C)CC2)nc1 1776001822 MXFGOAXJXAOXJB-UHFFFAOYSA-N 333.417 1.883 0 40 EDAB CC(C)[C@@H](Cn1nccn1)NC(=O)CNC(=O)OCc1ccccc1 238817301 BTVNRRWATFQBIF-OAHLLOKOSA-N 345.403 1.345 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)C3(F)CC3)CCO2)C1=O 1565548792 JRVFDIOEZLCAFO-KSSFIOAISA-N 332.375 1.342 0 40 EDAB CC(C)N(C)CC(=O)N1CCc2ncnc(-c3cnn(C)c3)c2C1 1565556343 DMGSZEBHMMYXBD-UHFFFAOYSA-N 328.420 1.102 0 40 EDAB Cc1ccn2c(=O)nc(SCC(=O)Nc3cc(C)on3)nc2c1 4503890 FKTAHKFPSGVYFS-UHFFFAOYSA-N 331.357 1.425 0 40 EDAB O=C(NCc1cccs1)NCc1nnnn1-c1cccc(F)c1 9616011 AMIVCIWIZCUBQF-UHFFFAOYSA-N 332.364 1.862 0 40 EDAB CCOCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055717997 SFCLUECWGGQGSJ-CYBMUJFWSA-N 348.447 1.271 0 40 EDAB Cn1ncc2c(NC[C@@H](c3ccsc3)N3CCOCC3)ncnc21 1775972488 ICYJECHNLYIWJC-AWEZNQCLSA-N 344.444 1.910 0 40 EDAB O=C([C@H]1CN(Cc2cccnc2)CCO1)N1CCC(F)(F)CC1 2086884574 NGPHQXRKQLPYJG-CQSZACIVSA-N 325.359 1.540 0 40 EDAB Cn1c(-c2ccccc2)nn(CCNC(=O)c2ccccc2F)c1=O 36708546 UGTZTUZAFTYGPM-UHFFFAOYSA-N 340.358 1.818 0 40 EDAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)OCc1ccccn1 390829751 GHRWVFOBEAJFPH-LBPRGKRZSA-N 339.359 1.024 0 40 EDAB Cc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCc3ccccc3C2)c1 85560435 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O=C([C@@H]1COc2ccccc2C1)N1CCCN(c2cccnn2)CC1 69948862 DPTQCSHEZIXVHY-INIZCTEOSA-N 338.411 1.767 0 40 EDAB CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@H](c2nc(C)n[nH]2)C1 76045696 QKZUDILCLZYOBT-CQSZACIVSA-N 332.408 1.667 0 40 EDAB C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C[C@@H](C)O1 32855940 RLIUPGWQIQPCPE-PHIMTYICSA-N 347.458 1.107 0 40 EDAB CN1C[C@@H](NC(=O)c2ccc(Br)cc2O)CCC1=O 78835068 SGPLCIJGVUEERQ-VIFPVBQESA-N 327.178 1.505 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 479585 KYWYHCHDERNFBT-FZMZJTMJSA-N 326.418 1.881 0 40 EDAB CC(C)(C)c1csc(CN2CCC[C@H](CNS(N)(=O)=O)C2)n1 84284738 HKMQWIVUIHQUSV-LLVKDONJSA-N 346.522 1.446 0 40 EDAB COc1ccccc1C(=O)COC(=O)c1ccc(-n2cnnn2)cc1 7249871 RAQQKIMHRMDXGD-UHFFFAOYSA-N 338.323 1.711 0 40 EDAB CC(=O)NCCc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1 7268922 LZMCGAPBUOVWSP-UHFFFAOYSA-N 349.390 1.958 0 40 EDAB CC[C@](C)(CNC(=O)CCN1CCSC1=O)N1CCOCC1 41406801 ONPRGXRLFIDHNV-OAHLLOKOSA-N 329.466 1.162 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccc2)cc1 7916240 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329.335 1.972 0 40 EDAB CC1CCN([C@@H](C)CNC(=O)C2CCN(c3ncccn3)CC2)CC1 58230015 FSEYYNAMWNVGGU-INIZCTEOSA-N 345.491 1.930 0 40 EDAB COc1ccc(NC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cn1 48251019 UZPQHFLBXPSMQZ-GFCCVEGCSA-N 342.421 1.026 0 40 EDAB CC(C)N(CCCNC(=O)N[C@@H](C)c1ccccn1)S(C)(=O)=O 44950005 NCPLEACTWHBRHK-ZDUSSCGKSA-N 342.465 1.502 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1ncc(-c2ccccc2)[nH]1 58332569 WGRACIHOZDDTAB-LBPRGKRZSA-N 333.413 1.518 0 40 EDAB CN(CC(=O)NC(C)(C)C)Cc1nc(-c2ccc3c(c2)OCO3)no1 58343124 MPKXEQVJPGRPFN-UHFFFAOYSA-N 346.387 1.812 0 40 EDAB Cc1cc(C(=O)NC2CCN(C(=O)c3cccnc3S)CC2)no1 58407220 UXFKLLXMFGQXGQ-UHFFFAOYSA-N 346.412 1.701 0 40 EDAB O=C(Cn1ncc(N2CCCCC2)cc1=O)NCCc1cscn1 20534639 KOHCCJNDAOUPFT-UHFFFAOYSA-N 347.444 1.049 0 40 EDAB CN(C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 20460092 RWEWKXZIWNSREJ-MRXNPFEDSA-N 346.408 1.877 0 40 EDAB O=C(CNC(=O)Nc1ccc(-n2cccn2)nc1)NC1CCCCC1 58623957 IXCFSTDGUAGGNG-UHFFFAOYSA-N 342.403 1.838 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCSCC1 45408760 ZXXQWPDRLVTVSR-UHFFFAOYSA-N 343.474 1.195 0 40 EDAB Cc1nnc(SCC(=O)N2CCO[C@@H](C)C2)n1Cc1ccccc1 11385097 SAYFFMNNEBICIT-ZDUSSCGKSA-N 346.456 1.974 0 40 EDAB C[C@H](OC(=O)CCCNC(N)=O)C(=O)Nc1ccc(Cl)cc1 12804119 YEFCKXXZQOOFEY-VIFPVBQESA-N 327.768 1.659 0 40 EDAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N1CCCC1 3491842 KOHZAALTLVKHDY-UHFFFAOYSA-N 333.417 1.694 0 40 EDAB COc1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1OC(F)F 48560721 CEWYSQLUMMXBHV-AWEZNQCLSA-N 349.355 1.604 0 40 EDAB O=C(COc1ccc2ccc(=O)oc2c1)NC(=O)NC1CCCC1 3518154 MGKWPLNPODTERF-UHFFFAOYSA-N 330.340 1.940 0 40 EDAB C[C@H](C1CC1)N(C)S(=O)(=O)NC[C@H](c1ccccc1)N(C)C 110592747 SZCGKXXHMTYJPA-CZUORRHYSA-N 325.478 1.854 0 40 EDAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCOC1 49342112 LMSUVNNVFINHCL-NSHDSACASA-N 341.205 1.300 0 40 EDAB CN(C)CCNC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccco1)CC2=O 49545367 XGRBWAKITPDWGL-NSHDSACASA-N 343.383 1.172 0 40 EDAB Cc1nc(S(=O)(=O)NCCC(=O)N2CCCCCCC2)cn1C 71185183 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EDAB Cc1ccccc1CC(=O)N1CCN(C(=O)NC[C@@H]2CCCO2)CC1 65604487 ORBYDYFDLLXNNQ-KRWDZBQOSA-N 345.443 1.570 0 40 EDAB COc1ccc(CCNS(=O)(=O)c2c(C)n[nH]c2C)cc1OC 10492308 STJPQBWYOFXINB-UHFFFAOYSA-N 339.417 1.565 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)cc1C 4505201 NIUARAMLRRVJSI-CQSZACIVSA-N 331.459 1.501 0 40 EDAB Cc1cc(=O)c(C(=O)N2CCC(N(C)C)CC2)nn1-c1ccccc1 71846628 XCNMFGBDJJEYGA-UHFFFAOYSA-N 340.427 1.707 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)N2CCCn3ncnc32)CC1=O 71839367 JJVLKSZTVBGFFN-CQSZACIVSA-N 339.399 1.630 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)NCCOc1ccc2c(c1)OCO2 71806544 DTJKSKYAKUUFNV-CYBMUJFWSA-N 349.387 1.056 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)[C@H]4CC=CCC4)CC3)ncnc21 14853416 OKVWWCSMQBYINR-ZDUSSCGKSA-N 326.404 1.368 0 40 EDAB COCC(=O)N1CCN(C(=O)/C=C/c2cccc(OC(C)C)c2)CC1 66616600 GUGFJDINTIXQTF-BQYQJAHWSA-N 346.427 1.804 0 40 EDAB CCN1C[C@H](C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1=O 66706509 TUKMVVGHQPTPDZ-IUODEOHRSA-N 338.354 1.733 0 40 EDAB Nc1nnc(SCC(=O)Nc2nnc(C(F)(F)F)s2)s1 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NC(=O)[C@H](NC(=O)c1ccn(-c2cccc(F)c2)n1)c1ccccc1 71826949 JAQFWCJINTUTQV-MRXNPFEDSA-N 338.342 1.968 0 40 EDAB COC(=O)CCNC(=O)c1nnn(-c2ccc(F)cc2)c1C1CC1 69491855 DVPWSCTUNKXWFE-UHFFFAOYSA-N 332.335 1.577 0 40 EDAB CN(C)CCn1cc(NC(=O)c2ccccc2N2CCOCC2)cn1 69566112 MFWNLVURLGWJLM-UHFFFAOYSA-N 343.431 1.534 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnnn2C2CCOCC2)C1 69772815 PXNLFJTXQMAQRQ-TXEJJXNPSA-N 339.465 1.621 0 40 EDAB CS(=O)(=O)[C@@H]1CCN(C(=O)c2ccccc2Br)C1 96365054 BQIOAANHULXOIB-SECBINFHSA-N 332.219 1.708 0 40 EDAB Cc1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccc(=O)[nH]n2)CC1 69818095 SPMVQQVPAGHYCY-CQSZACIVSA-N 341.415 1.228 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)Cc3cn4ccsc4n3)CCO2)n1 83829937 YKKLDAJZXUHWSX-NSHDSACASA-N 346.416 1.219 0 40 EDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1CCN(CCOc2ccccc2)CC1 72403544 SVAYXKHBAAAMPE-HOTGVXAUSA-N 346.427 1.566 0 40 EDAB Cc1cc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)ccc1C(N)=O 84089985 XGEFTUHEINXDGL-ZDUSSCGKSA-N 341.415 1.924 0 40 EDAB C[C@H]1CO[C@H](CO)CN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 97083760 XOTOFOJAJKINNB-GWCFXTLKSA-N 340.786 1.641 0 40 EDAB O=C(CCN1CCn2c(nnc2C2CC2)C1)NCCc1ccccc1 72268398 FRKBHTCLNWSDAP-UHFFFAOYSA-N 339.443 1.720 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1S(N)(=O)=O 72253551 YVAAITZTDZGJKF-CQSZACIVSA-N 348.428 1.353 0 40 EDAB CC(C)N1C[C@H](NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1=O 72293238 PRYYPHOEVYJEGB-GXTWGEPZSA-N 347.415 1.827 0 40 EDAB O=C(c1cc(Br)c[nH]1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72268968 XSTJBNNOXIWLRI-OLZOCXBDSA-N 342.237 1.448 0 40 EDAB CC1CCN(c2cccc(NC(=O)NCCC(=O)NC(N)=O)c2)CC1 84699995 CBADLOPKKPNCKK-UHFFFAOYSA-N 347.419 1.629 0 40 EDAB Cc1nsc(N2CCN(C(=O)COc3ccccc3C)CC2)n1 95403226 YIYCUDLIAOJPJV-UHFFFAOYSA-N 332.429 1.883 0 40 EDAB COC(=O)[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1cn(C)c(C)n1 95443829 OQGGFALKOVMMII-SMDDNHRTSA-N 329.422 1.129 0 40 EDAB COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccn2cncc2c1 95438446 QKYHEJUCTCGPPM-INIZCTEOSA-N 341.342 1.988 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1 95994955 IEIIQXIGKIHSFF-CYBMUJFWSA-N 338.437 1.156 0 40 EDAB Cn1ncnc1CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 95977531 RKSLHDJIKBKVRA-GFCCVEGCSA-N 341.774 1.183 0 40 EDAB COC[C@@H](C)N1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)CC1 95978800 KKRFYRBJRRNBLT-CRAIPNDOSA-N 349.450 1.974 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)no1 75134027 IASMOPIKQRVIJU-UHFFFAOYSA-N 344.371 1.107 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C(N)=O)c(C)c1C 75103719 MHZAUSGUZPSELT-OLZOCXBDSA-N 340.445 1.634 0 40 EDAB CN(C)c1cc(CNC(=O)c2ccn(C)c(=O)c2)c2ccccc2n1 75385951 KCWCYFZIHMYRPQ-UHFFFAOYSA-N 336.395 1.930 0 40 EDAB CC(C)n1nccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 66248540 LMFZLGQZYQIMOR-UHFFFAOYSA-N 349.416 1.455 0 40 EDAB CCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 408584023 LFEQCUKLFOXUAZ-GFCCVEGCSA-N 328.434 1.539 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)CC1(Cn2cnnn2)CCCCC1 524733551 VTYHTPHBLMKHTI-OAHLLOKOSA-N 334.468 1.614 0 40 EDAB Cc1nccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)n1 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1.719 0 40 EDAB COCCn1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)n1 526131207 NMVXEYMJWGGYEH-UHFFFAOYSA-N 330.388 1.618 0 40 EDAB CCN(C)S(=O)(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccccc1 81183652 ISXXOTBDHJYADH-JKSUJKDBSA-N 325.478 1.856 0 40 EDAB Cn1nnn(-c2ccc(NC(=O)NCc3cccs3)cc2)c1=O 75163176 ICGQFBJPYNBGPK-UHFFFAOYSA-N 330.373 1.349 0 40 EDAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1 45957879 WCIWMCVEYNMONM-HNNXBMFYSA-N 332.400 1.435 0 40 EDAB COc1ccc(S(=O)(=O)NC(C)C)cc1N1C(=O)CCC1=O 225704812 QFQONYQBKDCIQB-UHFFFAOYSA-N 326.374 1.035 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 225198399 CCTPYHHTDMZJQN-LLVKDONJSA-N 342.417 1.342 0 40 EDAB CC1(C)CN(C(=O)NCc2nnnn2CC2CC2)[C@H]1[C@H]1CCCO1 572086445 NLILJVFHGGGVGX-OCCSQVGLSA-N 334.424 1.182 0 40 EDAB COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1CN(C)C 574919239 RQWKRZKYBAWVJF-OAHLLOKOSA-N 343.431 1.751 0 40 EDAB Cc1nc(-c2cccc(C(=O)NCC3(N(C)C)CCOCC3)c2)n[nH]1 80689484 OXZVFUCBNYQQNO-UHFFFAOYSA-N 343.431 1.621 0 40 EDAB 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CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(c1ncc(F)cn1)CC2 96261217 INKLBBGSZOQUHE-CQSZACIVSA-N 344.394 1.334 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@H]2[C@@H]1CC[C@@H]2COCc1nccs1 96250101 NICCKCCIXPJJBB-OSAQELSMSA-N 348.428 1.703 0 40 EDAB Cc1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC(=O)N(C)C)s1 96041561 QWHCSJODPIIPQN-ZMSDIMECSA-N 338.473 1.893 0 40 EDAB CC(=O)N1C[C@@H](c2nc[nH]n2)c2cc(C(=O)NCC(C)C)ccc21 96267742 MNHNIXOKJFRQFE-CQSZACIVSA-N 327.388 1.689 0 40 EDAB O=C(CC1CC1)NCc1cn2c(n1)CN(C(=O)c1ccncc1)CC2 96059450 HLUHPFTVZHCXGK-UHFFFAOYSA-N 339.399 1.350 0 40 EDAB O=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1ccco1 96121798 UJHPVYLVBMUACX-UHFFFAOYSA-N 329.278 1.998 0 40 EDAB CN(C)C[C@H]1CO[C@@]2(CCCN(C(=O)c3cnc4ccccn34)C2)C1 96090137 CRZMAJAHDSODAQ-KXBFYZLASA-N 342.443 1.907 0 40 EDAB c1ccc(N2CCOCC2)c(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1 91928208 GHUREAPQKQYROM-RBUKOAKNSA-N 332.444 1.903 0 40 EDAB CCn1nc(C)c2nnn(CC(=O)Nc3c(C)cccc3C)c(=O)c21 96182585 KJDVRVXMZWYTCU-UHFFFAOYSA-N 340.387 1.572 0 40 EDAB O=C(NC1CCN(Cc2ccccc2F)CC1)[C@@]1(O)CCSC1 96487432 JAICUSBZUCOKRH-QGZVFWFLSA-N 338.448 1.774 0 40 EDAB Cc1ccc(NCCCNC(=O)c2nc3nccc(C)n3n2)nc1 96449249 RKOCITADKPGNKO-UHFFFAOYSA-N 325.376 1.368 0 40 EDAB O=C(C1CC1)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 96239082 FHNDAYWDNCHZPB-LJQANCHMSA-N 342.395 1.823 0 40 EDAB CCc1nnc(CN2C(=O)[C@@H]3CN(Cc4ccccc4)C[C@H]3C2=O)o1 96500111 XXOSTOSPMRWMRI-ZIAGYGMSSA-N 340.383 1.249 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC3CC3)CC2)c1 243110983 JEOZQIDIVINWIO-UHFFFAOYSA-N 332.400 1.835 0 40 EDAB O=C([C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cccc(F)c1)N1CCOCC1 247873638 MUDYBZRKZPQGMN-ULQDDVLXSA-N 346.402 1.779 0 40 EDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230325 PEVPQDRTQGOZAM-KYZVSKTDSA-N 348.374 1.413 0 40 EDAB C[C@@H](Cc1ccsc1)N(C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 245339439 SUVPVWVGGZBVHF-JSGCOSHPSA-N 344.502 1.256 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1[C@H]2CC[C@H]1CC(O)(c1nccn1C)C2 248119706 JNJHGBCNQQJILI-JYJNAYRXSA-N 346.475 1.636 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccc(OC)cc1 257272318 NBYOGSFSROGMEJ-SFHVURJKSA-N 340.383 1.363 0 40 EDAB COc1ccc(CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1 253409264 ZWMJPGPZDFPVQD-UHFFFAOYSA-N 346.383 1.598 0 40 EDAB CN1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1CO 585136755 RHKWASGKLWCCPD-QWHCGFSZSA-N 349.258 1.341 0 40 EDAB O=C(NCc1nccs1)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 585122325 XAJWZWHRYBWPIH-AAEUAGOBSA-N 346.330 1.570 0 40 EDAB CN(C)c1cc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ccn1 257202366 ALLMSCSAYIGUPH-OAHLLOKOSA-N 326.400 1.824 0 40 EDAB CCn1nccc1-c1cncc(C2CCN(S(C)(=O)=O)CC2)n1 257304974 SNXRLLFCRFPBRW-UHFFFAOYSA-N 335.433 1.499 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)c1cccs1 257216847 CWISCZFJMBDICD-INIZCTEOSA-N 332.429 1.642 0 40 EDAB Cc1ncsc1C(=O)NCc1nnc2ccc(N3CCCC3)nn12 252494994 OKCRCWQWUMXYCE-UHFFFAOYSA-N 343.416 1.419 0 40 EDAB CNC(=O)[C@H]1COC2(CN(Cc3sccc3C)C2)CN1CC1CC1 253598661 FMDNNVTUPKXJNB-OAHLLOKOSA-N 349.500 1.468 0 40 EDAB OC[C@H]1[C@H](O)C[C@@H](NC2CCOCC2)[C@@H]1Cc1ccnc(C2CC2)n1 604382256 LWIKZYBUWAOBGU-BRSBDYLESA-N 347.459 1.023 0 40 EDAB biogenic,in-vitro O=S(=O)(c1cn[nH]c1)N1CCCC[C@@H]1c1cc(O)n2nccc2n1 257338414 YXIGMZGNVNXOON-GFCCVEGCSA-N 348.388 1.074 0 40 EDAB COCCN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@@H]1c1ccccc1OC 257277831 NZQFMOTVRLWMRI-QAPCUYQASA-N 346.427 1.900 0 40 EDAB CCc1nccn1CCC(=O)N1CCC[C@H](Cc2nccnc2N)C1 257315631 VCFGRSBWJNDYDQ-CQSZACIVSA-N 342.447 1.689 0 40 EDAB CC(C)(C)c1cc(C(=O)N2CCOC[C@H]2CCc2cnccn2)[nH]n1 257227894 FRKICCHKYZMLKK-CQSZACIVSA-N 343.431 1.971 0 40 EDAB O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)C(=O)NC1CCCC1 85561059 UBDUPRUVGDDQTK-ZDUSSCGKSA-N 334.372 1.014 0 40 EDAB Cc1cc(C(=O)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)n[nH]1 371246719 GOPVXGKOGXUSNN-MRVPVSSYSA-N 328.298 1.364 0 40 EDAB Cc1cccnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 287494626 KXVRFCZHUZYMBB-ZIAGYGMSSA-N 338.429 1.334 0 40 EDAB Cn1cc(C(C)(C)C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cn1 1615554982 OAESKYBRMIQMQX-ZIAGYGMSSA-N 330.354 1.356 0 40 EDAB Cc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2nccn2C)o1 1615591880 UFMGRBIWVUGXNN-ZFWWWQNUSA-N 330.388 1.500 0 40 EDAB COc1ccc(C(=O)CN(C)[C@]2(C)CCS(=O)(=O)C2)cc1OC 575424974 WKDHPMXHJRCJBR-MRXNPFEDSA-N 341.429 1.396 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@H](CC(=O)NC2CC(F)(F)C2)C1 585095888 SGOLJIBKYDOYHV-CYBMUJFWSA-N 340.374 1.726 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H]2C(=O)NCC2(C)C)c2ncccc2c1 585094255 YADHZJUOHPAEHC-AWEZNQCLSA-N 333.413 1.346 0 40 EDAB O=C(Nc1cnn(-c2ccccc2)n1)N[C@@H]1CCN(CC(F)F)C1 930637948 WRBZNPWOEMGXSG-LLVKDONJSA-N 336.346 1.728 0 40 EDAB O=C(CCNC[C@@H]1CNc2ccnn2C1)N1CCc2sccc2C1 58313641 NUDBYZAATROFIO-CYBMUJFWSA-N 345.472 1.551 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@]1(O)CCCc2occc21 1565522000 AIPPUEXTIOHXAR-OAHLLOKOSA-N 339.417 1.132 0 40 EDAB COCc1nccc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 892277828 BSLUGXLEUZVMAW-UHFFFAOYSA-N 348.353 1.864 0 40 EDAB CC1(C)[C@](C)(n2cnc3c(Cl)ncnc32)O[C@](C)(CO)[C@]1(C)O 95535489 PQCHGVAUEZXVJB-RBSFLKMASA-N 340.811 1.711 0 40 EDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3scnc3C)C[C@H]21 12120108 VYSJHSUXQDFSPG-PWSUYJOCSA-N 330.413 1.645 0 40 EDAB C[C@@H]1Oc2ccc(S(=O)(=O)N[C@@H](C)c3ccccn3)cc2NC1=O 12148079 YSLFQMISGQIBOE-QWRGUYRKSA-N 347.396 1.841 0 40 EDAB CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 12187791 RUJFPERKHDKQSU-LLVKDONJSA-N 342.417 1.499 0 40 EDAB C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N(C)CCN(C)C)n1 19457410 INVOWODKCOBSOR-LLVKDONJSA-N 338.843 1.421 0 40 EDAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1ccc2c(c1)CCC2 19500318 SPUMEDQSBQYXOA-IBGZPJMESA-N 329.488 1.860 0 40 EDAB C[C@@H](C(=O)N1CCC(N2CCCC2=O)CC1)[C@H](N)c1ccccc1 156205111 ZYPMLBHDXKZBFR-KDOFPFPSSA-N 329.444 1.936 0 40 EDAB Cc1c(NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)nnn1C 572004733 CKIFSDCXIGEDGB-VIFPVBQESA-N 335.314 1.393 0 40 EDAB CC(=O)N1CCN(CC(=O)NCc2ccc(OC(F)F)cc2)CC1 28903963 ZJLSAYQOJZPXAT-UHFFFAOYSA-N 341.358 1.068 0 40 EDAB CN([C@H]1CCN(c2ncnc3ccccc23)C1)S(=O)(=O)C1CC1 1888865630 FWRFQMOKXIPRQU-LBPRGKRZSA-N 332.429 1.633 0 40 EDAB CN(C)c1ccnc(N2CCN(c3ncnc4c3CCC4)CC2)n1 1889078004 FPLSMGFQDRUNRA-UHFFFAOYSA-N 325.420 1.148 0 40 EDAB Cc1cc(N2CCN(c3ccn4nccc4n3)CC2)nc(N(C)C)n1 1889134002 ZIUBKLQOMSLNRL-UHFFFAOYSA-N 338.419 1.220 0 40 EDAB COc1cc(N2CCN(c3ncnc4c3CCCC4)CC2=O)ccn1 1776009246 YJZROFMMYQTRSX-UHFFFAOYSA-N 339.399 1.612 0 40 EDAB O=C(N1CCCC1)N1CCn2c(COCc3cccnc3)nnc2C1 2055717991 RYQFMMKKOUIRSF-UHFFFAOYSA-N 342.403 1.421 0 40 EDAB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc(=O)[nH]c1 38679588 RZLRHTVXSSKERH-WDEREUQCSA-N 335.385 1.111 0 40 EDAB CCn1cnc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc21 299576887 HSGIPOWDHBOJOD-UHFFFAOYSA-N 332.408 1.903 0 40 EDAB O=C1NC(=O)c2cc(S(=O)(=O)Oc3ccc(Cl)cc3)ccc21 68868444 QHWJJZHGALQBEM-UHFFFAOYSA-N 337.740 1.991 0 40 EDAB O[C@H](CN1CCOCC1)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 73020044 LQBZNUMUMHDZMP-SJORKVTESA-N 348.443 1.288 0 40 EDAB CSc1ccccc1NC(=O)C(=O)NC[C@H](O)c1cccn1C 75155153 WKZREICMINCFEG-ZDUSSCGKSA-N 333.413 1.535 0 40 EDAB Cc1nc2c(c(N3CCC(NC(=O)[C@@H]4CCOC4)CC3)n1)CCCC2 225739060 RVLGCRBXDBHORC-CQSZACIVSA-N 344.459 1.785 0 40 EDAB C[C@H](Sc1n[nH]c(=O)n1C)C(=O)NC12CC3CC(CC(C3)C1)C2 40161928 RJUCLXKOXPMQHR-HMHCLHNZSA-N 336.461 1.674 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1Br 50242482 JAZMBEUFCMZGSQ-MRVPVSSYSA-N 335.223 1.179 0 40 EDAB Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1 100318846 VGDNTYWCSGTKDA-STQMWFEESA-N 345.424 1.239 0 40 EDAB Cc1nn2c(=O)/c(=C/c3ccc(Cl)cc3Cl)sc2nc1=O 137802 PXXSQQMATPZRHL-WMZJFQQLSA-N 340.191 1.674 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)N1CCO[C@H]2CCCC[C@@H]21 40553824 FTNCHDSLKPBRSO-STQMWFEESA-N 333.413 1.628 0 40 EDAB C[C@@H](C(=O)NCc1ccc(OC[C@H]2CCCO2)cc1)n1cncn1 40534232 OSPMULPYTFIOHA-XJKSGUPXSA-N 330.388 1.713 0 40 EDAB CCN(CCCNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 40539914 BKUQPYMZYALYRK-AWEZNQCLSA-N 339.461 1.389 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)N1CCO[C@@H]2CCCC[C@@H]21 40553881 QGQIBTLYHFUGCV-JKSUJKDBSA-N 327.384 1.567 0 40 EDAB COc1ccc(OC)c(NC(=O)CNc2ccc(C(N)=O)cc2)c1 32679617 FLPSDODMGFTBIK-UHFFFAOYSA-N 329.356 1.853 0 40 EDAB Cc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1S(N)(=O)=O 32781065 MNWIFEJRNBTOFC-CQSZACIVSA-N 332.381 1.585 0 40 EDAB CCCc1nnc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 102287757 SNYKBNXMUNINJK-NXEZZACHSA-N 336.417 1.604 0 40 EDAB CNC(=O)NC(=O)CNc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 29650464 QONONOGKBQFQMR-BETUJISGSA-N 346.431 1.672 0 40 EDAB CCCCNC(=O)C1CCN([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 29928231 GDSLPONHTQOTPM-GFCCVEGCSA-N 349.483 1.209 0 40 EDAB COc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)c(OC)c1 46597419 MVBIKKIZGZMULJ-UHFFFAOYSA-N 342.399 1.893 0 40 EDAB COc1ccc(CNC(=O)[C@@H](C)NC(=O)Nc2ccccc2)cn1 32873800 CELSETNJRWODDZ-GFCCVEGCSA-N 328.372 1.917 0 40 EDAB CC(C)(CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCOCC1 46628962 JBHXBRXWWMHICM-CQSZACIVSA-N 349.406 1.479 0 40 EDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CN(C2CC2)CCO1 69898670 STHAEXIDBCHELH-ZBFHGGJFSA-N 349.431 1.013 0 40 EDAB CNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)ccc2N2CCCC2=O)C1 76092520 MWWBOXRQHDASLV-CQSZACIVSA-N 343.427 1.720 0 40 EDAB CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C12CCCCC2 78874911 RFLUSDPDABIBBG-CABCVRRESA-N 333.432 1.980 0 40 EDAB Cc1nc([C@H](NC(=O)c2nccn3ccnc23)c2ccccc2)n[nH]1 78964629 DLRXOKXQMLBGIT-CYBMUJFWSA-N 333.355 1.675 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)C1=NN(c2ccccc2)C(=O)CN1 32940516 UVTDVBNTBHFUFD-ZDUSSCGKSA-N 334.379 1.914 0 40 EDAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(N)=O 4186269 AFBWSRMGNGDPQF-TUAOUCFPSA-N 327.425 1.402 0 40 EDAB COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN(C)c1ccccc1 8635696 NTKJRUFUZZODFI-XYJFISCASA-N 331.460 1.596 0 40 EDAB biogenic,in-vitro O=C(CCS(=O)(=O)C1CCCC1)N1CCC[C@@H]1Cn1cccn1 69951079 DRJHWEQFQHXKIN-CQSZACIVSA-N 339.461 1.622 0 40 EDAB Cc1nc(CN(C)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cs1 84274689 ROXLNQGOAROXSQ-CYBMUJFWSA-N 348.476 1.995 0 40 EDAB Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1cc(N(C)C)ccn1 97103924 YUOBEWCTGMEVRO-KRWDZBQOSA-N 338.411 1.769 0 40 EDAB CCCCNC(=O)[C@H](C)Nc1ccc(N2CCCS2(=O)=O)cc1 42854831 LCBRZJMHWZHJIW-ZDUSSCGKSA-N 339.461 1.943 0 40 EDAB CNc1nc(S[C@@H](C)C(=O)N2CCNC2=O)nc2ccccc12 24104158 OQCIUMWDMSNZHK-VIFPVBQESA-N 331.401 1.704 0 40 EDAB Cc1c([C@@H](C)NC(=O)CN2C(=O)COc3ccccc32)cnn1C 24999535 QZIDQUBGLFKRNA-LLVKDONJSA-N 328.372 1.331 0 40 EDAB CCOC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)c1 25136165 DJZXBFKTHOQWNH-JTQLQIEISA-N 349.343 1.352 0 40 EDAB Cn1ccc(C(=O)NCc2cccc(N3CCCCC3=O)c2)cc1=O 55669767 WFZNYBRXANITMX-UHFFFAOYSA-N 339.395 1.832 0 40 EDAB CNC(=O)c1nnsc1N1CCN(c2ccccc2OC)CC1 1417132 FRBNNZBBFCUFCG-UHFFFAOYSA-N 333.417 1.233 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N[C@@H](C)CN3CCCC3=O)ccc21 55813476 WAYULGAOOQQZLL-LBPRGKRZSA-N 329.400 1.336 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 108956029 VYAXDGKOZKVPIZ-BFJAYTPKSA-N 342.505 1.989 0 40 EDAB O=S(=O)(N1CCCC1)N1CCN(Cc2ccccc2F)CC1 26128901 LQPZXVWCATZCES-UHFFFAOYSA-N 327.425 1.284 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NCC(F)(F)F 26298993 SFTMDJNWPKSAGF-NSHDSACASA-N 341.337 1.939 0 40 EDAB CN1CC[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)CC1=O 44299223 JGTMNQUFBCDBNW-OAHLLOKOSA-N 349.862 1.853 0 40 EDAB COC(=O)c1ccc(NC(=O)N[C@H](C)CN2CCCC2=O)c(C)c1 48278351 AOZRDWFSESDRQS-GFCCVEGCSA-N 333.388 1.914 0 40 EDAB CCOc1ncccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 27582224 OOAQCQMMKYRBJQ-UHFFFAOYSA-N 327.406 1.090 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 3333941 OYUUSFWYOYPAGW-OAHLLOKOSA-N 342.399 1.403 0 40 EDAB C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)N1CCOCC1 58201524 SLHBPDHVYDORAB-SNVBAGLBSA-N 345.226 1.899 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CN1C(=O)C[C@@]2(CCSC2)C1=O 58294914 HCXDSTQNHQYOIK-RDTXWAMCSA-N 349.452 1.925 0 40 EDAB C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCO)CC(=O)N21 2105556 NBSFBPWFMYFHGY-ABAIWWIYSA-N 327.384 1.207 0 40 EDAB biogenic C[C@@H]1CN(CCNC(=O)Nc2ccc(-n3cccn3)nc2)C[C@@H](C)O1 44951931 BPHCOOMVWBBFDN-ZIAGYGMSSA-N 344.419 1.498 0 40 EDAB O=C(CCCn1nnc(-c2ccccc2)n1)NCCCn1ccnc1 58393802 QTXAPNRZMJFJNH-UHFFFAOYSA-N 339.403 1.523 0 40 EDAB C[C@H](CCc1ccccc1)CC(=O)NC1CCN(CC(N)=O)CC1 58304844 CMFQQTALOJFITJ-OAHLLOKOSA-N 331.460 1.711 0 40 EDAB COc1ccc(NCC(=O)Nc2cc(C)no2)cc1-n1nnnc1C 58356929 NNBAZVZTQXNCGZ-UHFFFAOYSA-N 343.347 1.326 0 40 EDAB COc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 21559228 KHCJCZFVVVRPMA-YVEFUNNKSA-N 334.372 1.155 0 40 EDAB CCOc1ccc(OC[C@@H](O)CN2C(=O)[C@@H]3CCCCN3C2=O)cc1 48354958 SUAOLHZADOIGTH-BBRMVZONSA-N 348.399 1.642 0 40 EDAB Cc1cc(Br)ccc1NC(=O)C[C@H]1NC(=O)NC1=O 12814147 LFQYYPZVBMBLKF-SECBINFHSA-N 326.150 1.294 0 40 EDAB COc1ccc(O[C@H](C)C(=O)N2CCN(c3cnccn3)CC2)cc1 11546638 LVMCHLBLQCLRBP-CQSZACIVSA-N 342.399 1.601 0 40 EDAB Cn1cccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 12979317 MBKTVCARNRQDBQ-KRWDZBQOSA-N 331.391 1.968 0 40 EDAB CCc1c(COC)nc(N2CCN(c3ccccc3F)CC2)[nH]c1=O 22448417 NGZMWGMWZAGCKJ-UHFFFAOYSA-N 346.406 1.944 0 40 EDAB COc1cc(C)ccc1[C@@H]1[C@H]2[C@@H](NC(=O)N1C)N(C)C(=O)N[C@@H]2C 4026602 NAWGKDIMLGSLRQ-KAOXEZKKSA-N 332.404 1.686 0 40 EDAB biogenic C[C@@]1([C@H]2CCCN(Cc3nc4ccccc4o3)C2)NC(=O)NC1=O 72300788 ZSVQBOCYTMNGDY-GTNSWQLSSA-N 328.372 1.638 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NC12CC3CC(CC(C3)C1)C2 5293139 LWAVBJWNGSNQEX-UHFFFAOYSA-N 345.443 1.936 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N1CCN(Cc2cccnc2)CC1 65449304 GJALGIHYRFOXEE-OAHLLOKOSA-N 328.420 1.194 0 40 EDAB O=C(CC1CCCC1)N1CCCN(c2ccc3nnnn3n2)CC1 65594079 RHPRYZFGUYSRHN-UHFFFAOYSA-N 329.408 1.138 0 40 EDAB CSc1cccc(N2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)c1 65575031 NBKSPKJMUIAMDJ-ZDUSSCGKSA-N 344.440 1.774 0 40 EDAB CNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 65594593 PCPCGEYGUBIILX-JKSUJKDBSA-N 349.862 1.770 0 40 EDAB O=C(CNC(=O)COc1ccccc1)NCCc1ccc(F)cc1 6435162 VOIHSODUNZKUFQ-UHFFFAOYSA-N 330.359 1.680 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCc3ccc(C)n3C)CC2)on1 65621941 HQXLORHKDIMSLQ-UHFFFAOYSA-N 331.420 1.657 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1cccs1 14244077 ARRPYQJOJKORHK-SECBINFHSA-N 340.426 1.895 0 40 EDAB CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 6541997 CEKKPEPKJKQKQZ-UHFFFAOYSA-N 341.367 1.836 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 69935947 HDIKJQXOCSMTEP-HOCLYGCPSA-N 349.479 1.543 0 40 EDAB Cc1ccccc1-c1nnn(CC(=O)Nc2ccc(C(N)=O)cc2)n1 4763158 YYNJLKQAMXZXRR-UHFFFAOYSA-N 336.355 1.386 0 40 EDAB C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NC1CCCCC1 6779163 BONGNZRUOXFWBE-ZDUSSCGKSA-N 332.400 1.797 0 40 EDAB CCN(C1CCN(C(=O)c2ccc(Cl)nc2)CC1)S(C)(=O)=O 66855199 RFITZNGQMOXLSA-UHFFFAOYSA-N 345.852 1.621 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)N(C)C)[C@H]2C)cc1 4999045 ICGJEDLPZKQVHS-RYUDHWBXSA-N 341.433 1.418 0 40 EDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCCO2 67619919 HHBPSNPXLNKWTJ-CQSZACIVSA-N 332.400 1.931 0 40 EDAB C[C@H](C(=O)NCC1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 67833215 HSAOJCQXTVDQGK-CQSZACIVSA-N 338.473 1.448 0 40 EDAB CCc1nnsc1C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C 68112065 KDXRILWNKMHQJG-VIFPVBQESA-N 328.463 1.530 0 40 EDAB CCOc1ccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1 7918380 CBBGYWLFYYHOMV-ZDUSSCGKSA-N 329.443 1.944 0 40 EDAB CN1CCC(NS(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 96009869 ZYUPXQYQONBNKM-UHFFFAOYSA-N 334.388 1.703 0 40 EDAB C[C@H](NC(=O)Cn1cn[nH]c1=O)c1cccc(Br)c1 96007096 LGYKJIZDLJENOI-QMMMGPOBSA-N 325.166 1.211 0 40 EDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NC1CCCCCC1 68994509 BWAQUWMVRZTHAN-MRXNPFEDSA-N 343.427 1.989 0 40 EDAB O=C(c1ccoc1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005217 JLULJGRFOMXKRM-AWEZNQCLSA-N 326.418 1.746 0 40 EDAB CC[C@@H](NC(=O)C(=O)Nc1c(C)ccn(C)c1=O)c1nc(C)cs1 91221355 JHPCOQRGQZZLBL-LLVKDONJSA-N 348.428 1.665 0 40 EDAB NC(=O)c1ccc(-c2nnn(CC[S@](=O)c3ccccc3)n2)cc1 69150486 ZDVQQPPSJSBFES-XMMPIXPASA-N 341.396 1.247 0 40 EDAB O=C(CN[C@@H]1CCCN(c2cccnn2)C1)NCc1cccs1 70003769 JIXZBFYEZPRJPZ-CYBMUJFWSA-N 331.445 1.413 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccc(-n3cccn3)c(F)c2)CC1 70007079 JKTYCBBGABGAMA-HNNXBMFYSA-N 346.406 1.540 0 40 EDAB CNC(=O)CNC(=O)CSc1ccc(Br)cc1C 8344681 OWAINTUYXNSFHV-UHFFFAOYSA-N 331.235 1.712 0 40 EDAB O=S1(=O)N=C(CN2CCO[C@H]3CCCC[C@@H]32)Nc2ccccc21 69489837 YUGYUQGLWXXALT-KBPBESRZSA-N 335.429 1.843 0 40 EDAB Cc1ccc(N2CCCN(C(=O)c3ccnc(N(C)C)c3)CC2)nn1 69493367 DQWOSMFUZQFGIO-UHFFFAOYSA-N 340.431 1.599 0 40 EDAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCO2)NC[C@@H]1CCCO1 69533636 XWMVTXNPAMISSY-GJZGRUSLSA-N 332.400 1.847 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)N(Cc1ccsc1)C1CC1 69600235 UXXPGJRQVKOPMR-CYBMUJFWSA-N 331.445 1.435 0 40 EDAB Cc1sc2ncnc(N3CCO[C@@H](Cn4cncn4)C3)c2c1C 69779957 QZAUKIFYJCCVND-GFCCVEGCSA-N 330.417 1.805 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1 71847748 SUVYWDJYWDYGOG-AWEZNQCLSA-N 347.415 1.428 0 40 EDAB CN(C[C@H]1CN(CCOc2ccc(F)cc2)CCO1)c1cccnn1 83859260 RRBMBAPBCMFXHZ-KRWDZBQOSA-N 346.406 1.832 0 40 EDAB CN1CCN(Cc2cccc(C(=O)NCC[C@H]3CCCO3)c2)CC1 72863683 NDSAFIMFAFKGKG-GOSISDBHSA-N 331.460 1.733 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)NCc1ccc(Cl)cc1Cl 97032148 UFNVXZQBNXSCNX-UHFFFAOYSA-N 339.244 1.891 0 40 EDAB C[S@@](=O)CCNC(=O)NCc1cc(Br)ccc1F 72286966 GTSFZMNPAIYSQU-SFHVURJKSA-N 337.214 1.766 0 40 EDAB Cc1cc(C)n2nc(CC(=O)N3CCC[C@@H](c4ccn[nH]4)C3)nc2n1 72283041 JNFIVVLBWGVVRS-CYBMUJFWSA-N 339.403 1.413 0 40 EDAB CN(C)[C@H](C(=O)NCC(=O)Nc1ccccn1)c1c(F)cccc1F 95450032 IOYIZGOHBIDUGB-INIZCTEOSA-N 348.353 1.717 0 40 EDAB COC(=O)[C@@H]1CCCN1C(=O)CCn1cnc2c(C)cccc2c1=O 95947384 OZRWRZBHWNCJDT-AWEZNQCLSA-N 343.383 1.259 0 40 EDAB Cn1cnnc1CCNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 75091929 JVGGCEFRJBYBGR-INIZCTEOSA-N 345.422 1.668 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)c(=O)[nH]1 75119852 ZPWSASHQZXLMQF-UHFFFAOYSA-N 341.289 1.949 0 40 EDAB O=C(CN1CCCCC[C@@H]1C[C@@H](O)c1ccco1)N1CCOCC1 89794365 APWIWXVTHLURFQ-HZPDHXFCSA-N 336.432 1.807 0 40 EDAB Cn1cc(C[C@H]2CCN(S(=O)(=O)c3ccc4cn[nH]c4c3)C2)cn1 89755595 NUPNISRWCIHKBU-GFCCVEGCSA-N 345.428 1.550 0 40 EDAB COc1cc(C(=O)NC[C@H](CC(C)C)C(=O)O)cc2c1OCCO2 89821008 WGFSKNYLOZVFDU-LBPRGKRZSA-N 337.372 1.943 0 40 EDAB CC[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C[C@@H]1N(C)C 89948429 UHJVZRXJWJBBHS-DYVFJYSZSA-N 345.443 1.749 0 40 EDAB C[C@@H](C(=O)N1CCN(c2ncnc3sccc23)CC1)n1cncn1 75699253 STWKAAGIQDLODK-NSHDSACASA-N 343.416 1.193 0 40 EDAB O=C(c1ccnnc1)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306144049 YUKHHWXDYRVYSZ-MRXNPFEDSA-N 340.383 1.320 0 40 EDAB CN1C(=O)CC[C@@H]1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)n[nH]1 1548453841 YUNJEQMIFWTMFK-CYBMUJFWSA-N 325.372 1.520 0 40 EDAB Cc1c(C(=O)O[C@H](C)C(=O)NC(=O)Nc2ccccc2)cnn1C 22285291 RRSJTEDZTWMNTN-LLVKDONJSA-N 330.344 1.622 0 40 EDAB O=C(NCCc1ccc2c(c1)OCCO2)N[C@@H]1CCN2CCCC[C@H]12 43080933 WNJCDRSYENXVBQ-HZPDHXFCSA-N 345.443 1.926 0 40 EDAB Cc1cc2n[nH]cc2cc1NC(=O)[C@H](C)n1cnc2c(N)ncnc21 1556190119 SHHNBSUAEGDKCE-VIFPVBQESA-N 336.359 1.793 0 40 EDAB CC(C)CC(=O)N1CC2(C1)OCC[C@H]2COCC(=O)N1CCCC1 306140139 ULLSNKSMLGHQKB-HNNXBMFYSA-N 338.448 1.289 0 40 EDAB O=C(O)[C@]12CCCN(C[C@H]3CCOC3)C[C@H]1CN(Cc1ccoc1)C2 306140640 UZJUJVVEGVRADN-AYBZRNKSSA-N 348.443 1.915 0 40 EDAB O=C1NCCN1[C@H]1CCCN(S(=O)(=O)CC23CCC(CC2)C3)C1 555224159 LDIUVALVCGVLTK-BBBYJDLNSA-N 341.477 1.386 0 40 EDAB CCn1cnnc1CNC(=O)N1CCOC[C@@H]1CC1CCOCC1 1553182847 MSSCOXLDUXFLDF-AWEZNQCLSA-N 337.424 1.025 0 40 EDAB O=C(c1nccc2ccccc12)N1CCn2c(nnc2[C@@H]2CCCN2)C1 72373970 APXGQQXQUQPBSJ-HNNXBMFYSA-N 348.410 1.907 0 40 EDAB O=C(Cc1noc(C(=O)NCc2ccncc2)n1)Nc1ccccc1 31819518 FEEQGGAUQWYRJM-UHFFFAOYSA-N 337.339 1.576 0 40 EDAB O=C(O)c1cccc(CNS(=O)(=O)c2ccc3c(c2)OCO3)c1 555460883 UWRYCUSHHJACEO-UHFFFAOYSA-N 335.337 1.592 0 40 EDAB Cc1cnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)s1 72238011 VUSKUHSTYAGZQT-UONOGXRCSA-N 331.397 1.989 0 40 EDAB Cc1nn(C)c2c(=O)n(C)c(Nc3ccc4c(c3)OCCO4)nc12 32651404 RGDMSGSTDDDNBJ-UHFFFAOYSA-N 327.344 1.490 0 40 EDAB CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNC(=O)C2(C)CCC2)CC1 1054794363 CQKBSLUCWDYZBI-SHTZXODSSA-N 337.464 1.352 0 40 EDAB COC(=O)CCNC(=O)c1cn(CC(C)C)c(=O)c2ccccc12 79191748 UTACUAHONWMBAH-UHFFFAOYSA-N 330.384 1.950 0 40 EDAB biogenic CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1cnn(C)c1 79474312 ATRMJDLXZNICLT-AWEZNQCLSA-N 349.416 1.912 0 40 EDAB COc1ccccc1CNC(=O)CCc1c(C)nn2cnnc2c1C 71286236 LLBJUHSHYMZWAR-UHFFFAOYSA-N 339.399 1.999 0 40 EDAB CCCc1nonc1NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 78105751 JRXRLRPZFYOMCL-OAHLLOKOSA-N 330.388 1.862 0 40 EDAB O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NC1CC1 71285022 KPCGCQBYRZYNAG-UHFFFAOYSA-N 336.823 1.450 0 40 EDAB CCn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)cn1 72241664 IDAJQYTWLICSHX-HOTGVXAUSA-N 346.362 1.579 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3ccc(OC)cc3F)CC2)no1 78912440 YJQRQEAXXICFBO-UHFFFAOYSA-N 348.378 1.738 0 40 EDAB COc1ccc(OC)c(NC(=O)C[C@H]2Cn3nc(C)nc3NC2=O)c1 40386705 CVWLDTZILGXJTA-JTQLQIEISA-N 345.359 1.201 0 40 EDAB Cc1cc(C(C)C)nc(N2CCN(CCN3CCO[C@@H](C)C3)CC2)n1 192801906 BVMIZPNIWAPUAB-KRWDZBQOSA-N 347.507 1.751 0 40 EDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2nnnn2-c2ccccc2)C1 85879255 HJYHYSDPDUWOCP-CABCVRRESA-N 348.410 1.443 0 40 EDAB biogenic CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 41905365 OEQNZXDRRJOMPL-GDBMZVCRSA-N 345.443 1.585 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)c1 75162122 NVNOCCZSZOBDIZ-UHFFFAOYSA-N 348.428 1.731 0 40 EDAB COc1ccccc1N(CC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O 225196573 IEKXGXNWOWYMKQ-LBPRGKRZSA-N 328.434 1.622 0 40 EDAB COCCNC(=S)Nc1nc(OC)cc(N2CCCCCC2)n1 225897157 KRDMJAMXFWGWSX-UHFFFAOYSA-N 339.465 1.798 0 40 EDAB CCO[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 193763984 OSYIWLHKSIHKGO-GJZGRUSLSA-N 329.404 1.670 0 40 EDAB CNC(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(CCC(C)C)C2 96251125 OSVIINJDCLTOOC-CRAIPNDOSA-N 331.464 1.540 0 40 EDAB Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)n1 96063876 NMNGMMTWOICHGE-DLBZAZTESA-N 336.395 1.801 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC[C@@H](n2ccnn2)C1 583496068 ZJIFOOBIYHYCNO-ZENOOKHLSA-N 328.372 1.670 0 40 EDAB C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)C1CC=CC1 96201242 XGWGCKVNYDFZSG-OAHLLOKOSA-N 343.475 1.500 0 40 EDAB COc1ccc(C[C@H]2CCCN2C(=O)CN2CCC(=O)NC2=O)cc1 95395232 SYNQPXGMBWCEPY-CQSZACIVSA-N 345.399 1.171 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCCCn2ccnc2)[C@@H]1c1cccs1 96181174 ZQEANEUPWAYVFL-SWLSCSKDSA-N 332.429 1.671 0 40 EDAB CN(C)C(=O)CO[C@H]1CO[C@@]2(CCCN(Cc3cccs3)C2)C1 96206192 OSUZNVQUWLJYNL-PBHICJAKSA-N 338.473 1.976 0 40 EDAB COCCN1C(=O)CCC12CCC(NC(=O)c1cnc(C)cn1)CC2 96228555 ULEUZXNOCDXPLD-UHFFFAOYSA-N 346.431 1.465 0 40 EDAB CCC(=O)N1CCC2(CC1)CN(Cc1csc(C)n1)C(=O)CO2 96201429 DYCPPZWBYZGQIB-UHFFFAOYSA-N 337.445 1.582 0 40 EDAB CO[C@H]1CCN(C(=O)N(C)C)[C@@H]2CN(Cc3csc(C)n3)C[C@H]12 96219900 OQBJEXSEAZJBNM-ZNMIVQPWSA-N 338.477 1.654 0 40 EDAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NC[C@H](O)C1CCCC1 96436634 RXQSRIGKQBKSDU-OALUTQOASA-N 346.471 1.945 0 40 EDAB CO[C@@H]1CN[C@H](C(=O)N2CCN(c3ccc4ccccc4n3)CC2)C1 583618229 UKQRMNOUSVZKJC-RDJZCZTQSA-N 340.427 1.260 0 40 EDAB COC(=O)[C@@](C)(CO)NS(=O)(=O)c1csc2ccccc12 583652036 XHFTYUJHCSWFNF-CYBMUJFWSA-N 329.399 1.104 0 40 EDAB Cc1cc(N2CCC(NC(=O)CC(F)(F)CN)CC2)nc(C)n1 579967124 RRCIHOWQOPNROK-UHFFFAOYSA-N 327.379 1.163 0 40 EDAB CCn1cnc(-c2nc(C(=O)N3CCN(C)CC3)c3ccccn23)c1 96155131 FAUBQOLWGJMXHL-UHFFFAOYSA-N 338.415 1.605 0 40 EDAB COc1ccc(NC(C)=O)cc1NC(=O)COc1c[nH]c(C)cc1=O 95475482 FQSPRQAQVMYFIU-UHFFFAOYSA-N 345.355 1.668 0 40 EDAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)c3cc[nH]n3)C2)CC1=O 96239409 HXWRSFQQDJCWQL-KRWDZBQOSA-N 343.387 1.279 0 40 EDAB O=S(=O)(c1cccnc1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042085 DXNRENPBHZVTCH-HRCADAONSA-N 338.429 1.429 0 40 EDAB CN(C)C(=O)[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 247951911 CBVHTYSZZNHDAE-ZDUSSCGKSA-N 342.399 1.336 0 40 EDAB CCCCNC(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O 243382760 MHSCZJAMHJQOLU-UHFFFAOYSA-N 328.434 1.768 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)Cc3ccc(F)c(F)c3)CCO2)n1 257199973 ABMMQVGYTGTZOS-OAHLLOKOSA-N 349.337 1.911 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1 257326055 WVOWILJZJVFMLO-HNNXBMFYSA-N 331.420 1.303 0 40 EDAB C[C@@]1(C(=O)NCc2cccnc2N2CCCCC2)CCC(=O)NC1 585079831 VEBPHUNGOVDSEK-GOSISDBHSA-N 330.432 1.604 0 40 EDAB Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCc2ccccc2[C@@H]1C(=O)O 585134669 FOUGYCSLIITTMK-IIAWOOMASA-N 325.368 1.734 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)NCCc2ccc(SC)cc2)C1=O 252487589 HXWWQWWZDFIPJP-KRWDZBQOSA-N 349.456 1.788 0 40 EDAB O=C(c1cccc(-n2cnnc2)c1)N1CCC2(CC1)OCCC[C@@H]2O 257298181 RKNFFYVMRCVAPA-INIZCTEOSA-N 342.399 1.413 0 40 EDAB Cc1c(Cl)cccc1N1CCCN(C(=O)Cn2cnnn2)CC1 252485920 HFCMKHKVSFSKQY-UHFFFAOYSA-N 334.811 1.374 0 40 EDAB Cc1cnc(NCC[C@H]2CCOC23CN(c2ncccn2)C3)nc1 253600777 YNTJHJBKBBSHRF-AWEZNQCLSA-N 326.404 1.673 0 40 EDAB O[C@@H]1[C@H](Oc2cccc(F)c2)CC[C@@H](NCc2ccncc2)[C@H]1O 257306028 SSOGNIARMLEGHX-BRSBDYLESA-N 332.375 1.642 0 40 EDAB CS(=O)(=O)N1CCC(c2ccnc(Nc3ncccn3)n2)CC1 257225345 FFUCZQLFOJKCMK-UHFFFAOYSA-N 334.405 1.149 0 40 EDAB C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H]1CCCN(C2CCCCC2)C1 253370562 SMFJKQXSXJHYNR-OFQRWUPVSA-N 330.494 1.880 0 40 EDAB O=C(NCc1ccccc1Cn1cccn1)c1ccnc2[nH]c(O)nc12 1623652698 XIHOXVNGNTWBBV-UHFFFAOYSA-N 348.366 1.838 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC(Oc2ccncc2)C1 594178767 IIJZZGITYYCENJ-SFHVURJKSA-N 337.379 1.649 0 40 EDAB Cc1nc(C(F)(F)F)sc1C(=O)N[C@H](CO)c1ccnn1C 1614648357 LYIUUKMDQUBULP-SSDOTTSWSA-N 334.323 1.667 0 40 EDAB O=C(NCCc1cnc2ccccc2c1)[C@]12CNC[C@H]1CCOC2 1615547143 OIMOGCLMAJRHTN-APWZRJJASA-N 325.412 1.520 0 40 EDAB Cc1cc(C(=O)N[C@@]2(CO)CCCNC2)ccc1NC(=O)CC(C)C 1616035939 BXKQUBHJQVDFEG-IBGZPJMESA-N 347.459 1.824 0 40 EDAB CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)[C@H](F)CC1CCCCC1 1616039325 VAKQNEOXOYAIPL-CYBMUJFWSA-N 349.410 1.695 0 40 EDAB O=C(CCn1ccnc1)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 585285896 TWNQYIFCTUVDDV-QGPMSJSTSA-N 329.400 1.608 0 40 EDAB CNc1cnc(C(=O)N2CC[C@](COc3ccccc3)(OC)C2)nc1 585276078 JDDNBLUTJAGMMH-SFHVURJKSA-N 342.399 1.828 0 40 EDAB CCN1CCN(C(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC1 57281433 VOVBOXOSKCEGOM-UHFFFAOYSA-N 328.416 1.755 0 40 EDAB CC(=O)N1CCCN(C(=O)NCc2ccc3c(c2)OCCO3)CC1 69351942 ZTJSCTRYIHGPII-UHFFFAOYSA-N 333.388 1.222 0 40 EDAB CCO[C@H](C(=O)N1CCC[C@H](N2CCNC2=O)C1)c1ccccc1 71841632 GVPOXCRQWUQSDG-HOTGVXAUSA-N 331.416 1.780 0 40 EDAB C[C@@H]1CN(C)CCN1CC1CCN(C(=O)COc2ccccc2)CC1 85468177 WFXIYKUUEPRRBA-QGZVFWFLSA-N 345.487 1.940 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)s1 97048145 PVESCWXUHLGXJM-LBPRGKRZSA-N 326.447 1.749 0 40 EDAB O=C(c1nn[nH]c1-c1ccccc1)N1CCN(c2ccccn2)CC1 188828198 LLDOYBPTLCGEHC-UHFFFAOYSA-N 334.383 1.829 0 40 EDAB CSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1 5082387 APHZNQWDWFGYKU-UHFFFAOYSA-N 345.178 1.682 0 40 EDAB CS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccccc2)cc1 11555141 PRAVXTWPRQXKSV-UHFFFAOYSA-N 334.397 1.867 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)c1cnn(C)c1C 12154923 VKAYMRPUNMWIIR-DOMZBBRYSA-N 336.399 1.982 0 40 EDAB Cc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3C)CC1 13532432 BEOLONXSBMKLHF-UHFFFAOYSA-N 337.387 1.029 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccccc2O)CC1)c1ccco1 15940553 BLDPGASUVTWVAF-UHFFFAOYSA-N 329.356 1.064 0 40 EDAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)NC1CCOCC1 225553056 AECQZZRQGXGYGV-AWEZNQCLSA-N 332.322 1.915 0 40 EDAB COc1cccc(O[C@H]2CCN(Cc3cncn3C)CC[C@@H]2O)c1 643913778 GUBVYOPFZQBKPH-ROUUACIJSA-N 331.416 1.833 0 40 EDAB CCS(=O)(=O)N1CCC(n2nc(-c3ccoc3C)oc2=O)CC1 12182959 AKAVVYLYEJAEJC-UHFFFAOYSA-N 341.389 1.391 0 40 EDAB O=C1CC[C@@H](NC(=O)c2ccccc2Cn2cccn2)[C@H](C2CC2)N1 551683249 HAHXRZSPRLPWNR-AEFFLSMTSA-N 338.411 1.718 0 40 EDAB Cc1cc(CN2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)on1 1888897025 JGKBMPHDSQEQBE-ZIAGYGMSSA-N 339.403 1.297 0 40 EDAB c1cn2nc(C3CC3)cc2c(=N[C@@H]2CCN(C3CCOCC3)C2)[nH]1 1889098706 VGTYQEINHXCOAG-CQSZACIVSA-N 327.432 1.694 0 40 EDAB Cc1ccc2nc(N3CCO[C@@H](C(=O)N4CCOCC4)C3)sc2c1 1889136143 YWVOBQYICOMIAN-CQSZACIVSA-N 347.440 1.669 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(-n2cccn2)cc1 24711498 LRALFDDXSKHXKJ-UHFFFAOYSA-N 346.350 1.616 0 40 EDAB COc1cc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)cc(OC)c1 2037984330 XTYRSVQKYDQLQW-YOEHRIQHSA-N 334.416 1.383 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3C[C@@]32C(=O)NCc2cccnc2)n(C)n1 2056223846 HFHDEOQWKVMRAD-KDOFPFPSSA-N 339.399 1.045 0 40 EDAB CC(C)CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)CCc1cncnc1 1565542558 OFRITGCBMQBEML-LZLYRXPVSA-N 333.432 1.840 0 40 EDAB O=C1COC2(CCN(C(=O)C3(F)CC3)CC2)CN1Cc1cccnc1 1565549209 NXQCVRSSCKBCLT-UHFFFAOYSA-N 347.390 1.304 0 40 EDAB COCCN1C[C@@H]2CN(C(=O)c3cccc(Cl)c3C)C[C@@H]2C1=O 1565554410 ZIAXDMIDYJUZJT-OCCSQVGLSA-N 336.819 1.825 0 40 EDAB Cc1cnn(CCN2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1 1850395825 BZOYIIBSFUAJJV-UHFFFAOYSA-N 340.353 1.823 0 40 EDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCOCCn1ccnc1 575618548 BUYPBDFRSWSDIG-ZDUSSCGKSA-N 347.371 1.212 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@]1(O)C=CCCC1 606440390 KGMIUKDLRBYGEX-MRXNPFEDSA-N 338.791 1.875 0 40 EDAB CCn1c(=O)c2c(nc(NCCc3ccccc3)n2C)n(C)c1=O 36693343 CITKTMFRJFXZMV-UHFFFAOYSA-N 327.388 1.108 0 40 EDAB COC(=O)c1ccc(C(=O)NC[C@@]2(O)CCOc3ccccc32)cc1 75158112 SLEGKOQBXOXESU-IBGZPJMESA-N 341.363 1.873 0 40 EDAB Cc1ccc(C2=Nn3c(nnc(CCC(=O)O)c3=O)SC2)cc1 20272650 AYSYTOSLVHLXNC-UHFFFAOYSA-N 330.369 1.322 0 40 EDAB O=C1c2ccccc2C(=O)N1C[C@H](O)Cn1c(=O)cnc2ccccc21 31560655 JQEZLPTTZQVPSR-GFCCVEGCSA-N 349.346 1.054 0 40 EDAB Cc1cccc(OCC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 40515937 HKARLGUWJGEZAR-CQSZACIVSA-N 340.445 1.162 0 40 EDAB CC[C@H]1CN(S(=O)(=O)c2ccc(OCCOC)c(C)c2)CCO1 40512721 UPGHJWJIWYMGNJ-AWEZNQCLSA-N 343.445 1.820 0 40 EDAB CC(C)C12CN3CC(C)(CN(C1)C31C(=O)Nc3ccccc31)C2=O 32124353 KVKSFPFTBRZEBR-UHFFFAOYSA-N 325.412 1.654 0 40 EDAB biogenic CC1CCN(C(=O)CSc2nnc(-c3ccncc3)n2N)CC1 151021 IUNABQSEDGQDHH-UHFFFAOYSA-N 332.433 1.405 0 40 EDAB CC(C)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 288907 VRPAJFBLPALGEP-UHFFFAOYSA-N 336.369 1.993 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2cccc(OC(C)=O)c2)S1 367830 NYYABTMMGIKPEU-OAHLLOKOSA-N 335.385 1.787 0 40 EDAB CCOC(=O)c1cnc(SCC(=O)NCc2ccccc2)nc1N 422063 PCEOPAHRERBONZ-UHFFFAOYSA-N 346.412 1.644 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCC(OCc2ccccc2)CC1 46627811 RLWKQCQOUSARMO-UHFFFAOYSA-N 340.445 1.245 0 40 EDAB CS(=O)(=O)c1ccc2nc(NC(=O)/C=C/C(=O)O)sc2c1 2748072 JKNOCBGCVXNOQB-SNAWJCMRSA-N 326.355 1.279 0 40 EDAB COc1ccc(CCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 32815775 QALDERSKCDTJAA-LBPRGKRZSA-N 344.333 1.765 0 40 EDAB Cc1nc(C)c(CNC(=O)NCc2cccnc2-n2cncn2)s1 76085520 BRXIPPWTHPDILQ-UHFFFAOYSA-N 343.416 1.735 0 40 EDAB CNS(=O)(=O)CCCN1CCCN(Cc2ccccc2)C[C@@H]1C 77371321 BHNJVVULMOMXOV-INIZCTEOSA-N 339.505 1.522 0 40 EDAB CCOC(=O)C[C@@H]1CC(=O)[C@H](C(=O)OCC)C=C1C(=O)OCC 1579602 QPNGYBKPJGVMRZ-CMPLNLGQSA-N 326.345 1.197 0 40 EDAB CCCc1nc([C@H]2CN(Cc3cn4ccccc4n3)CCO2)n[nH]1 78893200 MZNYHQYHPPCWIQ-CQSZACIVSA-N 326.404 1.978 0 40 EDAB C[C@H](NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cnn(C)c1 78941318 WIOFTBQWBKWMAF-BBRMVZONSA-N 341.415 1.581 0 40 EDAB CCn1cc(NC(=O)Cn2nc(C(F)F)cc2C)c(C(N)=O)n1 2781236 HMFCCFMVDSDHLP-UHFFFAOYSA-N 326.307 1.083 0 40 EDAB Cc1ccc(-c2noc(CS(=O)(=O)[C@H](C)C(=O)NC3CC3)n2)cc1 32929892 WJMNGQFUIVSTIC-LLVKDONJSA-N 349.412 1.627 0 40 EDAB COCCNC(=O)Cn1nnc(-c2ccc(OCC(C)C)cc2)n1 4213655 HRBAERCKAKUJQI-UHFFFAOYSA-N 333.392 1.138 0 40 EDAB COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCOC3)CC2=O)cc1OC 41367283 JJPDQDPKGGVELN-QWHCGFSZSA-N 348.399 1.209 0 40 EDAB COc1ccc(-c2nc(CCNC(=O)[C@H](C)n3cncn3)co2)cc1 69518891 VNVRRBXMIQUESX-LBPRGKRZSA-N 341.371 1.862 0 40 EDAB CC(C)CC(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1 6817778 YMUMLHNNZFMLHE-UHFFFAOYSA-N 332.451 1.697 0 40 EDAB COC(=O)c1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1 7605843 XZNCFTNZCKALOB-UHFFFAOYSA-N 331.349 1.818 0 40 EDAB CN(CC(N)=O)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 52832051 VZPJFZIQJIJNHO-SFHVURJKSA-N 345.830 1.963 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)CN2c3ccccc3C[C@H]2C)C1 52856756 CNRFNVQCVNOHNL-SJLPKXTDSA-N 345.487 1.911 0 40 EDAB CNC(=O)[C@H]1CCC[C@]12CCN(S(=O)(=O)c1ccc(C)cc1)C2 108529837 SSPMFZJPHROVTQ-NVXWUHKLSA-N 336.457 1.922 0 40 EDAB Cc1cc(CN2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)no1 41998952 OOZAUPFETVPADX-UHFFFAOYSA-N 331.420 1.220 0 40 EDAB Cc1c([C@H](C)NC(=O)CN2C(=O)CCOc3ccccc32)cnn1C 25000517 IECKCBANQDIXFX-LBPRGKRZSA-N 342.399 1.721 0 40 EDAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)N1CCN(c2cnccn2)CC1 42354126 SNDZTGGLECBGQS-DLBZAZTESA-N 343.475 1.637 0 40 EDAB Cc1nc([C@@H]2CCCN2CCc2nc3ccccc3c(=O)[nH]2)no1 84280989 DXZSDPLFKADDGA-AWEZNQCLSA-N 325.372 1.994 0 40 EDAB O=C(c1ccc(F)cc1)N1CCC2(CC1)C[C@@H](N1CCOCC1)CO2 107192703 HCOJQWHEAACIMK-QGZVFWFLSA-N 348.418 1.922 0 40 EDAB C[C@@H](Cn1cccn1)NCc1cc(F)ccc1CS(C)(=O)=O 97162385 SNEQHIDQIRFBGF-LBPRGKRZSA-N 325.409 1.745 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(C2CCCC2)C1 24074221 HFKLYZKUSXCMJT-CQSZACIVSA-N 344.411 1.865 0 40 EDAB Cc1cnc2c(S(=O)(=O)NC[C@@H](C)N3CCOCC3)cccc2c1 24682337 KGZFGXMDXLZQAG-CQSZACIVSA-N 349.456 1.542 0 40 EDAB COC(=O)c1cccn1C1CCN(C(=O)CCc2cnn(C)c2)CC1 69664433 GZCZNZQRRJHZEF-UHFFFAOYSA-N 344.415 1.805 0 40 EDAB CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)CC(C)(C)C3 20632578 UOTHNJHMFNXRGY-UHFFFAOYSA-N 334.401 1.935 0 40 EDAB CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccccn2)cc1 55216422 XOKQXOBZDDILFS-UHFFFAOYSA-N 333.413 1.239 0 40 EDAB Cc1ccc([C@H](NC(=O)CN2CCN(C[C@@H](C)O)CC2)C2CC2)cc1 69627717 JGXRJWDDROMKIS-UZLBHIALSA-N 345.487 1.561 0 40 EDAB Cc1csc(N2CCCN(C(=O)CCNc3ncccn3)CC2)n1 55759978 FWAWZMMTSDMRLA-UHFFFAOYSA-N 346.460 1.782 0 40 EDAB Cc1cc(CN2CCN(C[C@H](O)COc3ccc(F)cc3)CC2)on1 25303669 SKBNMJYXHWVBBI-INIZCTEOSA-N 349.406 1.680 0 40 EDAB CCOC(=O)C1=C(CN2CCC[C@H]2Cc2ccccc2)NC(=O)NC1 25440839 LUXXBQWOOFOKFH-HNNXBMFYSA-N 343.427 1.824 0 40 EDAB O=C([C@H]1CCCN(c2cnc3ccccc3n2)C1)N1CCOCC1 26141404 BLEXSXHOXPDEFH-AWEZNQCLSA-N 326.400 1.705 0 40 EDAB NC(=O)COc1ccc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 56951985 LTYBMNHSRHMFKW-OAHLLOKOSA-N 344.371 1.179 0 40 EDAB O=C(COC(=O)COc1ccc(Cl)cc1)NC[C@H]1CCCO1 3242277 PXWXIPVPDYCWKX-CYBMUJFWSA-N 327.764 1.557 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(COc2ccccn2)CC1 72308564 WTZPUKLNEYXKJZ-CYBMUJFWSA-N 334.420 1.407 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCOc1ccc2c(c1)OCO2 57853752 JKELUISBMBHMMX-AAEUAGOBSA-N 334.372 1.073 0 40 EDAB CCCCC[C@@H](C)NC(=O)CN1C(=O)N[C@@]2(CCSC2)C1=O 27491403 OJFBXNDLIGSFHG-IAQYHMDHSA-N 327.450 1.499 0 40 EDAB C[C@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)N2CCOCC2)o1 48249465 ZCLWKHIMOQLRPA-WFASDCNBSA-N 340.445 1.944 0 40 EDAB CCCCC(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 10529855 BQTXMQDBIKYWKG-UHFFFAOYSA-N 336.344 1.839 0 40 EDAB Cn1ccnc1[C@@](O)(CC(=O)Nc1ncccc1O)C(F)(F)F 44896060 IKRCQYOHIAODDE-LBPRGKRZSA-N 330.266 1.299 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nncn2C)cc1 3395202 IJWHEEQJVZUOPM-UHFFFAOYSA-N 333.417 1.313 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)NC[C@H]3CCOC3)cn2)CC1 44954446 WYQHGKYOHCBHPN-MRXNPFEDSA-N 347.463 1.059 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H](C)C(=O)NC[C@@H]2CCCO2)c(C)c1 44948096 IIAYKWASIKXFTG-KGLIPLIRSA-N 325.430 1.761 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNC1CCN(Cc2ccccn2)CC1 58393338 UFAPOXYURYPHMZ-UHFFFAOYSA-N 342.491 1.944 0 40 EDAB O=C(CNC(=O)NCCC(=O)N1CCCCC1)NC1CCCCC1 58561050 GKZXIZOVHHDYBQ-UHFFFAOYSA-N 338.452 1.137 0 40 EDAB O=C(c1ccc(N2C(=O)c3cccnc3C2=O)cc1)N1CCOCC1 408721164 DLFMHOODPUNQHW-UHFFFAOYSA-N 337.335 1.355 0 40 EDAB Nc1nc(N)nc(CSc2nncn2CCc2cccs2)n1 11107116 MQOKPXFTVVGEPL-UHFFFAOYSA-N 334.434 1.224 0 40 EDAB Cn1c(COC(=O)CC23CC4CC(CC(C4)C2)C3)cc(=O)n(C)c1=O 11149022 XXHVRAUVXIEGTN-UHFFFAOYSA-N 346.427 1.734 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1nc2c(s1)C[C@H](C)CC2 48342641 NOXDDPKRBGKNKR-MRVPVSSYSA-N 348.428 1.524 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)Cn2nnc3ccccc3c2=O)cc1 12866564 IDJCIMGTCXQHTI-UHFFFAOYSA-N 343.364 1.078 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(C(=O)C3CC3)CC2)cc1 12816612 SAJWAPQPXJLLDY-ZDUSSCGKSA-N 343.427 1.770 0 40 EDAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(N)=O)cc2C1=O 3475512 SINIHIPWYGXZAU-UHFFFAOYSA-N 338.319 1.438 0 40 EDAB COC(=O)c1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)OC)C2)cc1 69702078 UOHBSDVGYGIRHW-HNNXBMFYSA-N 348.399 1.910 0 40 EDAB C[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)c2ccccc2S1 12991169 FWENDVMOULZMHJ-LLVKDONJSA-N 333.413 1.798 0 40 EDAB CCOCCCNC(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 12984384 XVEJDRMBDYPUQQ-SFHVURJKSA-N 347.415 1.387 0 40 EDAB CCOc1ccc(C(=O)NCCS(=O)(=O)Nc2ccccn2)cc1 69740333 RSOZLRNAJWZEJC-UHFFFAOYSA-N 349.412 1.652 0 40 EDAB Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)N(C)C)C3)n1 306126145 DOCWYABCEBQADC-CQSZACIVSA-N 334.420 1.717 0 40 EDAB C[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 8755730 HJXDQELYBVOGHR-CMPLNLGQSA-N 342.392 1.441 0 40 EDAB CN1N=C(C(=O)NCC2CCN(Cc3ccccc3)CC2)CCC1=O 63080749 HGHKEALACYYUDS-UHFFFAOYSA-N 342.443 1.623 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@H](n3ccnc3)C2)C1=O 69843552 WNSPBISFKBQDQC-ZDUSSCGKSA-N 347.419 1.157 0 40 EDAB Cc1ccc(NC2CCN(C(=O)[C@@H](C)OC[C@H]3CCCO3)CC2)nn1 69896934 QHKXXZUBBRXDRI-GDBMZVCRSA-N 348.447 1.772 0 40 EDAB CC[C@H]1C(=O)NCCN1C(=O)c1cc(F)cc(Br)c1 69811938 WVGWNKJXENGNFM-NSHDSACASA-N 329.169 1.939 0 40 EDAB COc1cc(NCCN2N=C(c3ccccc3)CCC2=O)ncn1 65489733 MMQYRWRPVIWBGW-UHFFFAOYSA-N 325.372 1.924 0 40 EDAB O=C(NCCN1CCCCCC1)Nc1ccc(N2CCOCC2)nc1 65439680 BGZWPQMGNHKCSF-UHFFFAOYSA-N 347.463 1.916 0 40 EDAB O=C(Nc1ccnn1C[C@H]1CCOC1)[C@H]1COc2ccccc2O1 65554331 ANNZSQXBOUVLPF-IUODEOHRSA-N 329.356 1.698 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 65610023 ABDJJAJEFPQGLH-MRXNPFEDSA-N 338.411 1.971 0 40 EDAB COC(=O)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 6659028 AESVFHHHERTWJL-UHFFFAOYSA-N 338.323 1.217 0 40 EDAB CCOC(=O)C1=C(C(=O)OCC)C2(O)CC(C)(C)N1C(C)(C)C2 5952737 XJGKZQSYCINXPN-UHFFFAOYSA-N 325.405 1.764 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2OC)cc1 15324948 RNLGMAOEZZLYOO-UHFFFAOYSA-N 335.381 1.960 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2ncc(-c3cccs3)o2)n(C)c1=O 67428446 KJPLRUPOAPVHTO-UHFFFAOYSA-N 343.368 1.199 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@@H]2CCc3nc(C)cn3C2)c1C 90168822 CCVIOEHUZXDOQT-CYBMUJFWSA-N 337.449 1.318 0 40 EDAB CNC(=O)[C@H]1CN(CC(=O)Nc2cccc(F)c2)c2ccccc2O1 7253533 HVSZBHMKRDUDGR-MRXNPFEDSA-N 343.358 1.778 0 40 EDAB Cc1ccc(N2CCC(C(=O)NC[C@@]3(O)CCSC3)CC2)nc1 82965379 DGJLDVILUKFIIU-KRWDZBQOSA-N 335.473 1.591 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)OCc1ccc(C(N)=O)cc1 16121584 XOIMRLJTBLHGLQ-UHFFFAOYSA-N 348.380 1.098 0 40 EDAB COCCN1CCC[C@@H]1CNS(=O)(=O)Cc1cccc(F)c1 68912624 UYGVLRFVZNHMSD-OAHLLOKOSA-N 330.425 1.356 0 40 EDAB CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC(=O)O 9218726 VMVIYAPFXDVDHN-JTQLQIEISA-N 349.412 1.488 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cccc(Br)c2)CC1 70008079 OJLPTUAWTAALEU-AWEZNQCLSA-N 341.249 1.978 0 40 EDAB CC(C)Sc1ccccc1C(=O)N1CCCN(CC(N)=O)CC1 69381148 SPYLCXRBAJXIPH-UHFFFAOYSA-N 335.473 1.820 0 40 EDAB C[C@H](CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 69491874 IZVQAZKMAFOHCI-CQSZACIVSA-N 345.447 1.068 0 40 EDAB O=C(CCc1ccsc1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 96432202 KBVYDCAVEHTQHT-LBPRGKRZSA-N 339.442 1.876 0 40 EDAB Cc1ccc([C@H](NCC(=O)N2CCNC(=O)C2)C(F)(F)F)cc1 71841048 JFJAGPNHKFYAEF-AWEZNQCLSA-N 329.322 1.146 0 40 EDAB CC1(C)CN(C2(CNC(=O)Cn3cccn3)CCCCC2)CCO1 71888883 GGMDTDLQWDAQCS-UHFFFAOYSA-N 334.464 1.813 0 40 EDAB O=C(OCC(=O)N1CCc2ccccc21)c1cccc(-n2cnnn2)c1 9745062 LVPGIRLJLNGOLN-UHFFFAOYSA-N 349.350 1.408 0 40 EDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N[C@@H](C)Cn2cncn2)o1 84195282 NXRMDNGRMPDJKL-WCQYABFASA-N 339.421 1.240 0 40 EDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCN(C3CC3)CC2)o1 84195263 AJLNTNLVDISMQV-OAHLLOKOSA-N 339.461 1.750 0 40 EDAB C[C@H]1NC(=O)N(Cc2ccc(N(C)C(=O)c3ccncc3)cc2)C1=O 97045876 BZWBMSCZOXLLNN-GFCCVEGCSA-N 338.367 1.799 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)n1 72279930 LOMZRJOTPPRVDU-HUUCEWRRSA-N 339.461 1.316 0 40 EDAB O=C(C1CC1)N1CCC(Nc2cc(N3CCC[C@@H]3CO)ncn2)CC1 72276059 QXIXVQWVRNUKFO-OAHLLOKOSA-N 345.447 1.251 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)c2ccc(=O)n(CCOC)c2)no1 72299105 RZIYPMCPKDHJKM-ZDUSSCGKSA-N 346.387 1.417 0 40 EDAB O=C(CCOCc1ccccc1)N[C@H]1CC(=O)N(CC(F)(F)F)C1 72291547 BWGJVUNTHVZVQI-ZDUSSCGKSA-N 344.333 1.873 0 40 EDAB CC(=O)NCSC[C@H](NC(=O)OCc1ccccc1)C(=O)O 98091069 IYDNZHWTOSQGAM-LBPRGKRZSA-N 326.374 1.193 0 40 EDAB C[C@H]1c2ccc(F)cc2CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 73880915 RDTIWRGOTOCPAR-DZGCQCFKSA-N 347.434 1.682 0 40 EDAB Cc1cccc(-n2c(C)nnc2S(=O)(=O)CC(=O)NCC2CC2)c1 95953949 UIACUHXWVRXIOX-UHFFFAOYSA-N 348.428 1.184 0 40 EDAB Cn1cc(N2CCC[C@@H](NC(=O)NCC3(O)CCCCCC3)C2)cn1 74612899 XLFFJTUPUUHWMH-OAHLLOKOSA-N 349.479 1.773 0 40 EDAB CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)NC[C@@H]2CCCO2)c1 75144978 XUZLJQZPPIJYFY-JTQLQIEISA-N 345.396 1.377 0 40 EDAB CC(=O)N1CCN(CCNc2ncc(Br)cc2C)CC1 75105846 FCRAWXBRPZZAFI-UHFFFAOYSA-N 341.253 1.729 0 40 EDAB O=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)C1CCOCC1 89794226 IIQHUAOXPZKVGB-KRWDZBQOSA-N 347.459 1.866 0 40 EDAB Cc1nc2cc(C(=O)N3CCS(=O)(=O)[C@@H](C)[C@H]3C)ccc2n1C 89721610 DLGBLFONRNOOEV-MNOVXSKESA-N 335.429 1.529 0 40 EDAB C[C@@H](NC(=O)c1ccnc(N(C)C)c1)c1nnc2n1CCCCC2 89913892 ZFGSTEIXCXSZBW-GFCCVEGCSA-N 328.420 1.957 0 40 EDAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCN(CCO)CC1 75572360 NYAUMUJZHJVKHU-UHFFFAOYSA-N 334.807 1.480 0 40 EDAB CC(C)c1noc(CCNC(=O)N[C@H]2CCOC23CCOCC3)n1 1548453366 KSSLWRLBKRSAPX-LBPRGKRZSA-N 338.408 1.373 0 40 EDAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1 408596418 YYYZVUTUTNWPSH-NTEUORMPSA-N 325.324 1.763 0 40 EDAB CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1)C(=O)O 170575727 WQUXYCROJMQTIA-NEPJUHHUSA-N 334.372 1.336 0 40 EDAB CSCC(=O)N1CC2(C[C@@H](COCc3ccncc3)CCN2C)C1 306143619 YGXLLCKGSUGIKP-INIZCTEOSA-N 349.500 1.884 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)c1 78551888 KPZZTEFDNDDLJO-UHFFFAOYSA-N 342.399 1.358 0 40 EDAB O=C(CSc1cn[nH]c(=O)n1)Nc1ccc(C(F)(F)F)cc1 31773573 GPPYAUXUMSKRQK-UHFFFAOYSA-N 330.291 1.915 0 40 EDAB CN(C)c1ccccc1CN1CCCC[C@@H]1CNS(C)(=O)=O 75648220 DMCWLGGPDFHESC-OAHLLOKOSA-N 325.478 1.656 0 40 EDAB Cn1ccnc1[C@H]1CNCCN1Cc1cccnc1C(F)(F)F 530219754 QJCCDINKEUBWCN-GFCCVEGCSA-N 325.338 1.980 0 40 EDAB Cc1nc(C)c(CCC(=O)N=c2nc(C3(C)CC3)[nH]s2)c(O)n1 530265996 ONJPIXAJHSIJHY-UHFFFAOYSA-N 333.417 1.695 0 40 EDAB C[C@H](c1nnnn1C)N1CCCC[C@H](NC(=O)c2ccccc2)C1 1034082759 LWWCTOGKPNXGOK-HIFRSBDPSA-N 328.420 1.556 0 40 EDAB COC(=O)CC1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 71280121 ZHMWXYJIWYNUGO-UHFFFAOYSA-N 329.360 1.078 0 40 EDAB COCCNc1cc([C@H]2CN(Cc3coc(C)n3)CCO2)nc(C)n1 72387776 BMEYONAIBPYSNI-MRXNPFEDSA-N 347.419 1.713 0 40 EDAB COC(=O)c1cn([C@@H]2CCCC[C@H]2OC(=O)c2cscn2)nn1 78411369 SJTJZOICTASUHK-VXGBXAGGSA-N 336.373 1.862 0 40 EDAB CCC1(CNS(=O)(=O)c2ccc(OC)cc2CC(=O)OC)CC1 416414904 GSLBIWQIWAYTFG-UHFFFAOYSA-N 341.429 1.879 0 40 EDAB CN1CCN(S(=O)(=O)c2ccc(-c3csnn3)s2)CC1 36011489 AJOCKLBNRVGFTA-UHFFFAOYSA-N 330.460 1.203 0 40 EDAB Cc1ccc(-n2[nH]c(C(=O)NC[C@H]3CCCC[C@H]3O)cc2=O)cc1 73932002 PUVMZIVGGAFRRP-CZUORRHYSA-N 329.400 1.755 0 40 EDAB CCN1CCN(C(=O)[C@]2(C)Sc3ccccc3N(C)C2=O)CC1 40774692 FUUGDMBRHWZIMI-QGZVFWFLSA-N 333.457 1.678 0 40 EDAB CC[C@H]1CN(CCCN2CCN(C(C)C)CC2)C[C@@]2(CCOC2)O1 225724256 TXSXLCFRNMHYCZ-RBUKOAKNSA-N 339.524 1.672 0 40 EDAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C)c1 223706051 RRYZHVBHFOWIMW-HZPDHXFCSA-N 344.440 1.956 0 40 EDAB CS(=O)(=O)CCNC(=O)c1c[nH]nc1-c1ccccc1Cl 87132848 KQBJAYYKQBANDO-UHFFFAOYSA-N 327.793 1.505 0 40 EDAB CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C)nc1C 133411110 XEPBGCMNJAQXQA-CABCVRRESA-N 330.432 1.722 0 40 EDAB CC(C)c1ccoc1C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 576771496 UIVPRHOARGXABJ-DDHJSBNISA-N 342.395 1.940 0 40 EDAB O=C(c1cccnc1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 96108834 ZRECLURHIFKJDS-QAPCUYQASA-N 325.368 1.644 0 40 EDAB Cc1cccc(CN2C[C@@H]3C[C@H](CC(=O)N4CCCC4)O[C@@H]3C2)n1 96216445 OUFKWXHUCNLGLN-CGTJXYLNSA-N 329.444 1.992 0 40 EDAB O=C(O)c1cn([C@H]2CCCN(C(=O)c3cccc4[nH]ccc34)C2)nn1 582362543 LEWMZQCMVZCQNB-NSHDSACASA-N 339.355 1.935 0 40 EDAB CN1CCCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)c2cc(F)ccc21 96418819 GNLMWKFBFDUWMH-LBPRGKRZSA-N 340.420 1.823 0 40 EDAB O=C(CN1CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2C3)CC1)N1CCCCCC1 96402267 DUDQCZWUYVUDOT-KSZLIROESA-N 347.503 1.969 0 40 EDAB Cc1ccccc1N1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C 96306478 MHAUIHCLWQCGIV-UHFFFAOYSA-N 325.372 1.284 0 40 EDAB COC(=O)C(C)(C(=O)OC)c1ccc(Br)cc1[N+](=O)[O-] 148983515 LZJWMCZPYZAHBG-UHFFFAOYSA-N 346.133 1.961 0 40 EDAB CC(C)Cn1c(SCc2ccnn2C)nnc1N1CCOCC1 95452323 NDLDWNBNNIVNMO-UHFFFAOYSA-N 336.465 1.797 0 40 EDAB Cc1ncoc1C(=O)N1CCOC[C@H]1c1nccc(NC2CCC2)n1 96219078 IZCSKKBONKNOJB-ZDUSSCGKSA-N 343.387 1.951 0 40 EDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1c(F)cccc1Cl 96454858 WRSQMUQFZDSAOH-SNVBAGLBSA-N 348.827 1.562 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1cccc2nn[nH]c12 97103901 YQMQCQIBKHIBIW-INIZCTEOSA-N 349.394 1.578 0 40 EDAB CC(C)[C@H](C(=O)NC1CCN(C)CC1)S(=O)(=O)C1CCCCC1 96445224 DXIFQYYPAAIYGC-MRXNPFEDSA-N 344.521 1.969 0 40 EDAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(-c2nnnn2C)c1 96426086 BSUHVNFMNCWKKZ-UHFFFAOYSA-N 347.375 1.841 0 40 EDAB C[C@H]1CCCN(C(=O)Cn2cc(I)cn2)C1 96413724 XHZPARSIYNLYKY-VIFPVBQESA-N 333.173 1.746 0 40 EDAB Cn1cccc1C(=O)N1CCC2(CC1)NC(=O)C[C@@H]2c1ccncc1 96199934 VFLUHWHYIGJKDY-OAHLLOKOSA-N 338.411 1.699 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(Cc1cnn(C)c1)CC2 96061517 ROHJOTQLXUDWIR-MRXNPFEDSA-N 342.447 1.134 0 40 EDAB O=C(c1ccccn1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 96202269 YZVRXQQXMAEOGM-IBGZPJMESA-N 338.411 1.846 0 40 EDAB Cc1noc(CNC(=O)NCc2cn(C)nc2-c2ccccc2)n1 96501281 YYCSHDDMJNGSME-UHFFFAOYSA-N 326.360 1.778 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Cc2cc[nH]n2)cc1 583616200 UHZOAFAMYMNKOJ-FUHWJXTLSA-N 329.400 1.860 0 40 EDAB COCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCN(c2ccccc2)C1=O 96472257 MYYRDXSEYBSLOI-LSDHHAIUSA-N 341.415 1.655 0 40 EDAB Cc1nc(CN2Cc3ccnn3[C@@H](C(=O)N3CCCCO3)C2)cs1 247963473 PNXOZEOJXXMOIW-OAHLLOKOSA-N 347.444 1.759 0 40 EDAB CN(Cc1ccccc1)C(=O)C1CN(c2cc(-n3cccn3)ncn2)C1 244986322 JQFFQHDTMUEKQX-UHFFFAOYSA-N 348.410 1.757 0 40 EDAB O=C(NC[C@H]1CN(c2ncccn2)Cc2ccnn2C1)c1ccco1 247480397 IRQXYXXSSDEMBA-ZDUSSCGKSA-N 338.371 1.333 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc(F)c(F)c(F)c1F 584906913 JMABINGPNRQLCF-ZCFIWIBFSA-N 340.298 1.136 0 40 EDAB CN1C(=O)C2(CCN(C3CCOCC3)CC2)C[C@@H]1Cc1cnccn1 257343791 ZUKZQLBEJOYTTP-KRWDZBQOSA-N 344.459 1.511 0 40 EDAB CCn1cc(CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)cn1 257259433 KYIGBZFUQPZLKR-HZPDHXFCSA-N 331.372 1.225 0 40 EDAB CCN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C1CCN(C)CC1 585087830 VLUCHVIIIAZPTJ-CQSZACIVSA-N 325.453 1.939 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(Cc3cnn(C)c3C)CCN2C)c1 257272729 NDPBLYGZOLKBHA-GOSISDBHSA-N 341.459 1.577 0 40 EDAB Cc1ncoc1C(=O)N(C)C[C@@]1(O)CCCN(c2ccccn2)C1 257284384 PCLYINRJQYLJJU-KRWDZBQOSA-N 330.388 1.482 0 40 EDAB CNc1cc(CC[C@H]2CN(C(=O)c3cnccn3)CCO2)ccn1 257277557 NYKOMEXWQBINGS-AWEZNQCLSA-N 327.388 1.387 0 40 EDAB CN(C)[C@H]1CC2(CCN(C(=O)c3cccn3C)CC2)OC[C@]1(C)O 257331553 XTIPHDYWJZHXSQ-RDJZCZTQSA-N 335.448 1.101 0 40 EDAB CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)CC1CCOCC1 257226938 FMVQEQWUXYAOKX-LJQANCHMSA-N 347.459 1.688 0 40 EDAB Cc1cc(CCC(=O)O)nc([C@@H]2CCCN2C(=O)c2cnccn2)n1 257275401 NPGAUEREBJXPTK-AWEZNQCLSA-N 341.371 1.570 0 40 EDAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc4c(nc3O)CCC4)C2)n1 257242760 IEAFQXAVRHVIIT-CYBMUJFWSA-N 326.400 1.948 0 40 EDAB COCC(=O)NC1CN(C(=O)Nc2ccccc2-n2nccc2C)C1 252498145 QVBMSCRARXBPHK-UHFFFAOYSA-N 343.387 1.159 0 40 EDAB Cn1nccc1-c1cc(C[C@@H]2CCCN(S(C)(=O)=O)C2)ccn1 257283901 PAKQWLHXLMVNJP-AWEZNQCLSA-N 334.445 1.696 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCC[C@H](c2ccnc(O)n2)C1 257332067 XVPCLHZTLRQPAM-NSHDSACASA-N 337.376 1.890 0 40 EDAB COC(=O)c1cc(S(=O)(=O)Nc2nc(C)cc(C)n2)cs1 273340417 AGEOHXOVNBGYBD-UHFFFAOYSA-N 327.387 1.742 0 40 EDAB COC(=O)CCN1CC[C@H](N2CCC[C@H](c3ccncc3)C2)C1=O 595489132 NTZHXDYQRSJDIE-HOTGVXAUSA-N 331.416 1.425 0 40 EDAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CC2(CCOCC2)C1 1615557483 LWKKKKQFBHKJJD-UHFFFAOYSA-N 328.412 1.995 0 40 EDAB COc1nn(C)cc1C(=O)NCCn1nc(-c2cccnc2)cc1C 390826097 BMEMJKICPBGDOZ-UHFFFAOYSA-N 340.387 1.426 0 40 EDAB CNC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2ccnn21 575405400 HQXLMJDTNJVCNR-AWEZNQCLSA-N 348.428 1.073 0 40 EDAB CC(C)CN1C[C@@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@H]2C1 585106101 LTQNHEYQDNRGIP-GJZGRUSLSA-N 329.448 1.149 0 40 EDAB Cc1noc(CCC(=O)N2CC[C@@](O)(COc3ccc(F)cc3)C2)n1 585277459 UWXKWTCDKRLQBJ-KRWDZBQOSA-N 349.362 1.492 0 40 EDAB O=C(NC1CC1)C1=NOC2(CCN(C(=O)c3cccs3)CC2)C1 585101063 APYLLHPMXBBWFQ-UHFFFAOYSA-N 333.413 1.778 0 40 EDAB O=C1NCC[C@@]12CN(S(=O)(=O)c1cccc(F)c1)CC(F)(F)C2 585093349 QLLGRPBOIKKJPN-CYBMUJFWSA-N 348.346 1.362 0 40 EDAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(Cc1nonc1C)CC2 737906216 XZCLJYHTZHDMDT-CQSZACIVSA-N 347.371 1.969 0 40 EDAB COc1ccc(OC)c(CCNC(=O)NCC(=O)N2CCCC2)c1 54757794 YXBALUPGEVZEMN-UHFFFAOYSA-N 335.404 1.168 0 40 EDAB Cc1nnnn1-c1cccc(NC(=O)CN(C)C(=O)OC(C)(C)C)c1 58429218 JUHCXMYRFABXCT-UHFFFAOYSA-N 346.391 1.776 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)cs1 56464076 RPFQVSPYFJZSPS-UHFFFAOYSA-N 346.456 1.362 0 40 EDAB CCc1nnc2n1C[C@@H](CNCC(=O)NCCc1ccsc1)CC2 69870087 AKOSYXUBQWUJMD-CQSZACIVSA-N 347.488 1.413 0 40 EDAB CCN1CCC[C@@H]1CN(CCN(C)C)c1nn2cc(C)nc2s1 72296153 NZIRSEBDMVOHDX-CQSZACIVSA-N 336.509 1.952 0 40 EDAB CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H]2CCC[C@H]2C(N)=O)CC1 76042430 LRMKUBSSGGZDBA-CHWSQXEVSA-N 339.436 1.404 0 40 EDAB CCc1nn(C)cc1CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007802 NQXDVCNTPSHZOJ-UHFFFAOYSA-N 348.350 1.875 0 40 EDAB Cc1cc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)no1 1206817517 NUWRVURCWTZOBG-GASCZTMLSA-N 347.440 1.736 0 40 EDAB COC[C@H]1CCCN(C(=O)c2c(C)nc3ccc(OC)nn23)CC1 1615003137 FJIJILPJKPHRRG-ZDUSSCGKSA-N 332.404 1.935 0 40 EDAB CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCCCC1 15350148 IOOKSIPWJVQXJY-UHFFFAOYSA-N 325.434 1.537 0 40 EDAB CCCCn1cc(S(=O)(=O)NC[C@H](C)N2CCCC2)c(C)n1 19502446 MBEMUPCWQRHXRL-ZDUSSCGKSA-N 328.482 1.754 0 40 EDAB COc1ccc(N2C[C@@H](NC(=O)NCC(C)C)CC2=O)cc1OC 5202001 LOQNLIFXKNQMLK-LBPRGKRZSA-N 335.404 1.764 0 40 EDAB O=C(COc1ccccc1Br)N[C@H]1CCS(=O)(=O)C1 5999920 ZFMOGXVEPIKXQM-VIFPVBQESA-N 348.218 1.131 0 40 EDAB Cn1ccc(C(=O)N2C[C@@H]3CCC[C@]3(COc3ncc(F)cn3)C2)n1 1888869512 KRVFBJLXPHMOMQ-YVEFUNNKSA-N 345.378 1.671 0 40 EDAB CC(C)CCNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 27754065 XQBRUYQWWYNDEC-UHFFFAOYSA-N 341.429 1.784 0 40 EDAB CC(C)(C)c1cc(NC(=O)C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 28621426 NHWKHTGZMUBCHT-LLVKDONJSA-N 325.434 1.889 0 40 EDAB COCCN1CC=CCC2(CCN(Cc3cncn3C)CC2)C1=O 2037846823 YJUKAXKGWTUFHQ-UHFFFAOYSA-N 332.448 1.437 0 40 EDAB Cc1cc(CC(=O)N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)on1 2037984795 OEFLDPORVCAFML-KRWDZBQOSA-N 335.404 1.011 0 40 EDAB CCc1nc(C)c(CN2C[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)[nH]1 2056224197 LOMROWKACAUIQC-ROUUACIJSA-N 341.459 1.761 0 40 EDAB CC(C)(O)CC(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 1565541731 SARUYFFUEMEDRG-INIZCTEOSA-N 343.427 1.822 0 40 EDAB O=C(C1CC(O)C1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 1565546224 WBXOKGOJEAVPHR-UHFFFAOYSA-N 343.427 1.336 0 40 EDAB O=C(NCC1CC1)[C@H]1CCO[C@H]2CCN(Cc3nccs3)C[C@@H]21 1565539478 ODWHAOJWRAVAOF-ZNMIVQPWSA-N 335.473 1.896 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@@H]2c3cnc(N4CCCC4)nc3C[C@H]2C1 1565545794 MGDXAOHHELTMPL-XMSFWSCYSA-N 340.427 1.067 0 40 EDAB CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1c(C)cccc1C 4107534 VASMAJKASNTDFB-CYBMUJFWSA-N 326.418 1.181 0 40 EDAB CCC(CC)NC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713799 MDYDZUQVDVAXIK-ZDUSSCGKSA-N 332.448 1.986 0 40 EDAB CSCC[C@@H](O)CNS(=O)(=O)c1c(C)nn(C(C)C)c1C 1775967632 YQUMVGPAQCNRKU-GFCCVEGCSA-N 335.495 1.473 0 40 EDAB Cn1nc(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)ccc1=O 206769565 NPRCRFVIPIDVQU-UHFFFAOYSA-N 339.351 1.082 0 40 EDAB COc1ccc(NC(=O)c2cn(-c3cc(N(C)C)ncn3)cn2)cc1 49411332 WDGULDULZASOFE-UHFFFAOYSA-N 338.371 1.989 0 40 EDAB CSc1ccc(CCC(=O)N2CC(CN3C(=O)CCC3=O)C2)cc1 585148957 RREPARFWBODHCQ-UHFFFAOYSA-N 346.452 1.949 0 40 EDAB COc1ccc(C[C@](C)(O)CNC(=O)Cc2c(C)noc2C)cc1 206705950 IPGSFJBFDWCAJN-SFHVURJKSA-N 332.400 1.952 0 40 EDAB COc1cc(NC2CCN(C(=O)c3c(C)noc3C)CC2)ncn1 585557577 UAVIKQJKBHJUCX-UHFFFAOYSA-N 331.376 1.807 0 40 EDAB O=c1ccc(-c2ccc(F)c(F)c2)nn1CC1(O)C[C@@H]2CC[C@H](C1)N2 12365191 NOKIGKYRRAFYLY-NCNPBXTDSA-N 347.365 1.834 0 40 EDAB CC(C)(C)c1cc(NC(=O)Cn2nnn(-c3ccccc3)c2=O)on1 31765149 GZHPSEDNUPUESW-UHFFFAOYSA-N 342.359 1.353 0 40 EDAB COc1ncccc1NC(=O)Cc1csc(N2CCCC2=O)n1 40541666 AZYMUUPQEQFVSI-UHFFFAOYSA-N 332.385 1.855 0 40 EDAB CCc1cc(NC[C@]2(N3CCOCC3)CCSC2)n2ncnc2n1 52038664 WEWIKSYKAPQGIN-MRXNPFEDSA-N 348.476 1.307 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc1Cl 32689094 CWBJDYGFOBNUMH-UHFFFAOYSA-N 335.747 1.540 0 40 EDAB C[C@H]1CN(C(=O)[C@H](C)N2CCN(c3nccs3)CC2)C[C@@H](C)O1 21334960 RMUCGIDXDQFUOO-MJBXVCDLSA-N 338.477 1.289 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2Cn2cccn2)cc1 69970023 DTPZUUFKKOZXOC-HNNXBMFYSA-N 347.440 1.982 0 40 EDAB CCCn1c(CN2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 245668 MKXQSMPHIGILFR-GFCCVEGCSA-N 333.436 1.076 0 40 EDAB CN(C)C(=O)N1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 29925843 YDRRBOLHHNMNHT-UHFFFAOYSA-N 349.822 1.147 0 40 EDAB CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 806907 QMDOOYLAGPJRBY-UHFFFAOYSA-N 326.418 1.232 0 40 EDAB CCOCC(=O)Nc1cc(Cl)ccc1Sc1nnnn1C 69484051 LKPWQFUAEJVQIE-UHFFFAOYSA-N 327.797 1.990 0 40 EDAB NC(=O)CN1CCC[C@H]1c1ccc(I)cc1 76119779 VSNSDEUOFVCFDC-NSHDSACASA-N 330.169 1.913 0 40 EDAB CCN(CC)S(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1 32876596 UPDDTOFEPVXFKF-UHFFFAOYSA-N 328.434 1.649 0 40 EDAB COc1cc2c(CCNC(C)=O)c[nH]c2cc1OS(=O)(=O)O 2020212 QQEILXDLZRLTME-UHFFFAOYSA-N 328.346 1.037 0 40 EDAB endogenous,in-man CC[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1c(C)nn(C)c1C 79010682 UKUHFKGQWACAPQ-OCCSQVGLSA-N 333.436 1.551 0 40 EDAB COCCCNC(=O)CN1CCN([C@H](C)c2ccc(F)cc2)CC1 52685779 YJFJCLHSAKKZRC-OAHLLOKOSA-N 337.439 1.657 0 40 EDAB CC(C)c1noc([C@H](C)N2CCN(CC(=O)NC3CCCC3)CC2)n1 69442790 SCBRKBVFKSKAAG-AWEZNQCLSA-N 349.479 1.930 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)CCCN2C(=O)CNC2=O)cc1 52920381 HHCJMVKREDSAIH-OAHLLOKOSA-N 345.399 1.691 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2sccc2C)n2ncnc2N1 10157072 DPLQSGUIMGXLIG-ZDUSSCGKSA-N 345.428 1.796 0 40 EDAB CCOC(=O)C1=NN[C@@]2(CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 545646 AIKPPUAOBUDWFR-MRXNPFEDSA-N 349.774 1.563 0 40 EDAB O=C(c1cnccn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22386338 LAVPLXCIPACLSX-UHFFFAOYSA-N 326.356 1.163 0 40 EDAB O=C1C[C@@H](N(C(=O)Cc2ccc(C(F)(F)F)cc2)C2CC2)C(=O)N1 103736695 QVNPSIXMQWJEAZ-GFCCVEGCSA-N 340.301 1.654 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 798485 PQEIDIPMDKLVSV-UHFFFAOYSA-N 330.365 1.778 0 40 EDAB O=C1c2ccccc2C(=O)N1CN1CCN(Cc2cccnc2)CC1 22869180 TUQHBQXWSUSDBO-UHFFFAOYSA-N 336.395 1.453 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCC[C@H](C(=O)Nc2ccccn2)C1 47260015 DUHKJZGEAFLNMR-DOTOQJQBSA-N 338.411 1.959 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)N1CCC(CN2CCOCC2)CC1 47386800 IEZMFDUPCYYOOU-UHFFFAOYSA-N 340.855 1.566 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@H]1CCc2c(Cl)cccc21 55088841 WZIFRTCABMHDTB-ZANVPECISA-N 328.821 1.814 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H]3CC[C@H]2[C@H]3Oc2ncccc2F)no1 107722066 VSBBRSQCWSNXSK-SOUVJXGZSA-N 347.346 1.968 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@H]1CCCCNC1=O 56977165 VXDLGNTZMKNPLB-ZDUSSCGKSA-N 338.429 1.267 0 40 EDAB CC1CCN(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)CC1 44293566 WJOPKLZLPHPORF-CYBMUJFWSA-N 326.418 1.393 0 40 EDAB O=C(Cn1c(-c2cccs2)noc1=O)NC(=O)Nc1ccccc1 58190922 PULWBGHIIYSRNQ-UHFFFAOYSA-N 344.352 1.913 0 40 EDAB Cc1csc(CNC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)n1 44894642 ZIWYJKYSVWKFQQ-LLVKDONJSA-N 331.397 1.882 0 40 EDAB CC(C)(C)OC(=O)NC1CCN(CC(=O)NCc2ccccn2)CC1 58203465 QWDQFDFFLFLKLZ-UHFFFAOYSA-N 348.447 1.687 0 40 EDAB COc1cc(NC(=O)c2ncccc2O)ccc1NS(C)(=O)=O 58228937 BUPXXPFSHBDBPV-UHFFFAOYSA-N 337.357 1.420 0 40 EDAB C[C@@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)S(C)(=O)=O 44936722 FAFOANPSZJCJAV-ZDUSSCGKSA-N 335.429 1.323 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)N(C[C@@H]1CCOC1)C1CC1 44940915 CDVMRDRHTMPRIP-NSHDSACASA-N 349.412 1.592 0 40 EDAB O=C(CN1C(=O)CCOc2ccccc21)N[C@H]1CCN2CCCC[C@H]12 44942027 BQOIJUJXIXORGX-LSDHHAIUSA-N 343.427 1.545 0 40 EDAB C/C=C/c1ccc(OCC(=O)N2CCCN(C(N)=O)CC2)c(OC)c1 58344644 OMYKWWHKPVRQBT-HWKANZROSA-N 347.415 1.720 0 40 EDAB CCN(C[C@H]1CCCO1)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 58392305 UGQONSAHXUCYKA-UKRRQHHQSA-N 344.415 1.352 0 40 EDAB CCOC(=O)N1CCN(c2nn3cnnc3c3ccccc23)CC1 27985336 IXLPLBIOFSTZNC-UHFFFAOYSA-N 326.360 1.556 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NCc1ccc(N2CCOCC2)nc1 27355545 IKIDCUKKSVXOEE-CQSZACIVSA-N 344.419 1.003 0 40 EDAB CN(C)C(=O)CN1CCCN(Cc2cc(-c3ccccc3)no2)CC1 24678413 WEVRBGINXMGSLX-UHFFFAOYSA-N 342.443 1.938 0 40 EDAB O=C(NCc1ccccc1Cn1cccn1)N[C@@H]1CCCCNC1=O 45319538 BKCAIWNODZEQGB-MRXNPFEDSA-N 341.415 1.399 0 40 EDAB O=C1NCCCC[C@H]1Sc1n[nH]c(=O)n1CCc1ccccc1 28936409 ZHODZPZPUBVIFO-CYBMUJFWSA-N 332.429 1.575 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)CCc2ccccc2F)C1 29191615 YGXGTNZRAIAAFW-ZDUSSCGKSA-N 328.409 1.299 0 40 EDAB COc1cc(C(=O)NCc2nnc3n2CCC3)ccc1OC(F)F 12995163 BGAWYDZUZGSGLJ-UHFFFAOYSA-N 338.314 1.764 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(OC(F)F)cc1 13006593 NECREWSXUXYDNI-GXSJLCMTSA-N 333.356 1.900 0 40 EDAB Cn1ncc2c(=O)[nH]c(N3CCN(c4ccc(Cl)cc4)CC3)nc21 69533782 NGVUWSHHNVBPKS-UHFFFAOYSA-N 344.806 1.637 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)NCc1ccc(N2CCCC2)nc1 48856219 CMLMDCRZLYDGCZ-HNNXBMFYSA-N 347.463 1.202 0 40 EDAB Cc1nc(CN2CCN(S(=O)(=O)N3CCCCC3)CC2)oc1C 69535190 BWLKCTOWECMDKU-UHFFFAOYSA-N 342.465 1.140 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)n1 69597484 GFEHAFCXYNRMJY-UHFFFAOYSA-N 342.399 1.846 0 40 EDAB Cc1cc(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1Cl 6087005 IHWZQYJUFCTVMC-NSHDSACASA-N 331.821 1.673 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1cc(OC)c3c(c1)OCO3)CC2 69745054 PHWORKZNENZTOL-LBPRGKRZSA-N 330.388 1.682 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccc(F)cc2Cl)C1 69740879 XRILRNRCQQHCJC-SNVBAGLBSA-N 328.771 1.972 0 40 EDAB O=C1COc2ccc(C(=O)NCc3ccc4c(c3)OCCO4)cc2N1 17860055 BJMCHMKSDCDEQI-UHFFFAOYSA-N 340.335 1.719 0 40 EDAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)O 5258958 GRVGHRORELXGGM-ZANVPECISA-N 329.374 1.235 0 40 EDAB C[C@@H](CC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 4412763 SISXUFPQMRMEBO-JSGCOSHPSA-N 339.413 1.027 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H](CN[C@@H]2CCCCNC2=O)C1 69873663 VPTBMXWJIHONIO-ZIAGYGMSSA-N 325.453 1.892 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)COc2ccc(CC(=O)NCCO)cc2)C1 69894006 GBQBWSYDMCTZGM-GASCZTMLSA-N 348.443 1.221 0 40 EDAB O=S(=O)(NC1CCN(C2CC2)CC1)c1ccc2c(c1)OCCO2 14102418 CROXDFZHEMPGAW-UHFFFAOYSA-N 338.429 1.363 0 40 EDAB CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCC(=O)N1CCCC1 69813207 XTLMAAAFOFZVFI-GFCCVEGCSA-N 341.477 1.063 0 40 EDAB CN(CC(=O)N1CCNC1=O)[C@H](c1cccc(F)c1)c1ccccn1 66530373 GGHYZOMKQOZGFE-QGZVFWFLSA-N 342.374 1.794 0 40 EDAB O=C(C1=CCCC1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1 306127882 GJTUMBIKWLZRKX-CQSZACIVSA-N 338.415 1.854 0 40 EDAB O=C(CCNC(=O)c1ccsc1)Nc1ccc2[nH]c(=O)[nH]c2c1 15602242 PZNMNTJJWFYJFT-UHFFFAOYSA-N 330.369 1.676 0 40 EDAB CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)CCn1cncn1 68476289 YSRHPAAQGOWMMM-UHFFFAOYSA-N 335.839 1.912 0 40 EDAB Cn1ccnc1CN1CCN(Cc2nnc(-c3ccco3)o2)CC1 69348527 MSUJVJCOJGLGCL-UHFFFAOYSA-N 328.376 1.381 0 40 EDAB NS(=O)(=O)CCN1CCN(Cc2cccc3ccccc23)CC1 96411879 TUMAGIJXVCPHCG-UHFFFAOYSA-N 333.457 1.246 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 71824446 KDHDHMLJNFLBRL-OLZOCXBDSA-N 334.395 1.169 0 40 EDAB CC(C)[C@@H](NC1CCOCC1)C(=O)NCCCOC[C@@H]1CCCO1 71916783 ZTVRJUBWFXXXCS-DLBZAZTESA-N 342.480 1.482 0 40 EDAB Nc1nc(N2CCN(Cc3cccc(F)c3)CC2)c2[nH]cnc2n1 97115386 SLVWDQJMYJDNAW-UHFFFAOYSA-N 327.367 1.396 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)c(=O)[nH]1 84072664 PFSVOTURDMXBBI-CQSZACIVSA-N 341.415 1.315 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(N3CCCC3)nn1)C2 72232615 ZRTOXALTTFAOAO-CYBMUJFWSA-N 326.404 1.327 0 40 EDAB CCn1c(C)nnc1S(=O)(=O)CC(=O)N1[C@@H](C)CCC[C@H]1C 72273328 KJNSXUIAJDFLBQ-PHIMTYICSA-N 328.438 1.170 0 40 EDAB CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1n[nH]c(=O)[nH]1 84407080 YTXIYSXPPDOPKN-VIFPVBQESA-N 328.294 1.868 0 40 EDAB CCCC[C@H](CC)C(=O)Nc1ccn(CC(=O)N2CCN(C)CC2)n1 95399041 FMJQXDHOWARXMT-HNNXBMFYSA-N 349.479 1.812 0 40 EDAB COc1cccc([C@@H](C)CC(=O)N2CCc3nn(C)c(=O)cc3C2)c1 84616430 GTDOQDVDSNJSOB-ZDUSSCGKSA-N 341.411 1.867 0 40 EDAB O=C(N[C@H]1CCN(C2CCCCC2)C1=O)[C@H]1Cc2ccccc2CN1 95971176 AXJHHJFUMJDEON-ZWKOTPCHSA-N 341.455 1.751 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccccc2F)CC1 89643086 VASFMXRYVFSIOV-UHFFFAOYSA-N 336.411 1.572 0 40 EDAB O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)NC1CCCC1 75340979 BJPFGFUAGQQFSF-UHFFFAOYSA-N 347.400 1.511 0 40 EDAB O=C(OCCn1c(=O)oc2ccccc21)c1c[nH]c(=O)c(Cl)c1 89873303 ZIIKPYWZZBBUIS-UHFFFAOYSA-N 334.715 1.793 0 40 EDAB OCCn1ncc2c(N3CCN(Cc4cccs4)CC3)ncnc21 65464246 KUVAUHRINUZBMB-UHFFFAOYSA-N 344.444 1.202 0 40 EDAB CN(Cc1ccncc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 42953412 DVDSFUAWDXCGOZ-UHFFFAOYSA-N 334.401 1.071 0 40 EDAB Cc1nc2ccc(O)cc2cc1C(=O)N1CCC(O)(CN(C)C)CC1 1548735919 QIQYBLLOMVZCCW-UHFFFAOYSA-N 343.427 1.778 0 40 EDAB Cn1cc([C@H]2C[C@H](C(=O)O)CN(C(=O)Cc3ccccc3)C2)cn1 1549796190 PLFHWJSMWKFNOF-GJZGRUSLSA-N 327.384 1.680 0 40 EDAB NC(=O)c1coc(CNC(=O)c2cc(F)ccc2N2CCOCC2)c1 548295603 QZZZIXYIGNCDMG-UHFFFAOYSA-N 347.346 1.284 0 40 EDAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nnc(C2CC2)s1 71288270 ZWOKREYDFOZOQQ-UHFFFAOYSA-N 343.368 1.871 0 40 EDAB C=CC(=O)Nc1ccc(C(=O)N(C)Cc2nnc3n2CCC3)cc1 1540697086 KFKCAEPOGKTZEU-UHFFFAOYSA-N 325.372 1.621 0 40 EDAB C[C@@H]1C[C@@H](c2ccccc2)N2NC(NC(=O)CCCC(=O)O)=NC2=N1 33902890 GKVNAJZHAUBRTQ-YPMHNXCESA-N 343.387 1.423 0 40 EDAB Cc1ccc(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)cc1C 32647367 UUTLMXMBXCLCLD-UHFFFAOYSA-N 326.360 1.089 0 40 EDAB COc1ccccc1N1CCN(Cc2nnnn2C(C)(C)C)CC1 35292080 RSHDGSUQPSFJTK-UHFFFAOYSA-N 330.436 1.759 0 40 EDAB CCCNC(=O)CSc1ccnc(SCC(=O)NCCC)n1 35655329 FGJHGACIRKVANB-UHFFFAOYSA-N 342.490 1.713 0 40 EDAB Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN2C(=O)CC[C@@H]2C1 558665435 NUXUZCRZFROKAN-UKRRQHHQSA-N 339.399 1.302 0 40 EDAB C[C@H](C(=O)NCc1nncn1C1CC1)N1CCc2ccccc2C1 73111500 GUQOTIXQIHWXCA-CYBMUJFWSA-N 325.416 1.676 0 40 EDAB O=C(Nc1cccnc1)C1CN(C(=O)COc2ccccc2F)C1 70814844 DFEOBYFZYJMSKD-UHFFFAOYSA-N 329.331 1.697 0 40 EDAB CNS(=O)(=O)c1ccc(NCCc2ccccc2)c(C(=O)O)c1 217536724 DPUNQUNKYSWIJM-UHFFFAOYSA-N 334.397 1.948 0 40 EDAB O=C1C[C@@H](C(=O)Nc2nccs2)N2C(=O)c3ccccc3[C@@H]2N1 1565525010 WIVMNAXVWZFJRX-CMPLNLGQSA-N 328.353 1.125 0 40 EDAB COC(=O)c1occc1Cn1cc(I)cn1 78985035 ILWCFSUMPSPHEJ-UHFFFAOYSA-N 332.097 1.916 0 40 EDAB CC[C@@H](C(=O)N1[C@H](C(=O)O)COC12CCN(C)CC2)c1ccccc1 71980014 ZTTQJFDDYPUIGD-CVEARBPZSA-N 346.427 1.914 0 40 EDAB CCn1cnc(NC(=O)N2CCN(c3ccccc3OC)CC2)n1 48308323 IZHHSWFMKKCDNR-UHFFFAOYSA-N 330.392 1.661 0 40 EDAB Cc1noc(C)c1CCCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 84806249 ZWDXQWOMKWURCB-OAHLLOKOSA-N 333.432 1.989 0 40 EDAB O=C([C@@H]1Cc2ccccc2CO1)N1CC[C@H](Oc2cccnn2)C1 225417230 JAPXCBNBEIXAQI-HOTGVXAUSA-N 325.368 1.598 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)c2ccco2)cc1 75156328 HQHSZEOMVFQAAM-OAHLLOKOSA-N 338.385 1.424 0 40 EDAB O=C(NCc1ccc(N2CCCC2)nc1)[C@H]1CCc2[nH]cnc2C1 225513152 KBTKXRNMDHDUIP-AWEZNQCLSA-N 325.416 1.826 0 40 EDAB NC(=O)C1CCN(C(=O)c2cc(OCc3ccccc3)ncn2)CC1 225533368 KLQUMJLRROLGDU-UHFFFAOYSA-N 340.383 1.393 0 40 EDAB O=C(COC[C@H]1CC[C@H]2[C@H](CCN2c2ncccn2)O1)N1CCCC1 96186104 MFHLWBZPDFHMFW-PMPSAXMXSA-N 346.431 1.242 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)Nc1ccccc1 96296129 KBMDIJLMCRDADM-ZACQAIPSSA-N 333.432 1.859 0 40 EDAB biogenic,in-vitro Fc1cnc(N2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)nc1 96065713 YPGVJROSSNTQKR-JYJNAYRXSA-N 330.363 1.964 0 40 EDAB CCS(=O)(=O)CCN1CCN(Cc2cc3ccccc3o2)CC1 95398567 KCNTYKDNZUJIIZ-UHFFFAOYSA-N 336.457 1.985 0 40 EDAB CN1C(=O)CCC[C@]12CCCN(S(=O)(=O)c1cccs1)C2 96229747 BHEFJRYTWBLGQU-CQSZACIVSA-N 328.459 1.914 0 40 EDAB O=C(NC[C@H]1Cn2nnc(-c3ccsc3)c2CO1)[C@@H]1CCOC1 96199191 JDXDKJPVTPEXFT-PWSUYJOCSA-N 334.401 1.058 0 40 EDAB COc1c(C(=O)NCc2cnn(C)c2C)nnn1Cc1ccccc1 96183446 YQAPYHWWHJWURJ-UHFFFAOYSA-N 340.387 1.307 0 40 EDAB COCCN1CCc2nc(-c3cnn(C)c3)nc(NC3CC3)c2C1 96254223 WLRNEHADDBAQQF-UHFFFAOYSA-N 328.420 1.456 0 40 EDAB COC[C@](C)(O)CNc1ncnc2cc(Br)ccc12 581112605 BFNQTTJEWKHKDK-CYBMUJFWSA-N 326.194 2.202 0 40 EDAB Cc1ccn(-c2ccc(N3CCC(CN4CCOCC4)CC3)nn2)n1 96453508 MZWTWEVROTZGCQ-UHFFFAOYSA-N 342.447 1.519 0 40 EDAB O=C(c1ncccn1)N1CC2(C1)OCC[C@@H]2COc1ccccn1 247807056 BYBITDPCGXLDDE-CYBMUJFWSA-N 326.356 1.182 0 40 EDAB CCOC(=O)[C@]1(N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 242723146 YEFFQWQYNFHLAX-NUJGCVRESA-N 345.420 1.887 0 40 EDAB Cc1cncc([C@H]2CCCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 257324116 WNGLNZKZLCOMRI-AWEZNQCLSA-N 338.477 1.388 0 40 EDAB CC(C)c1c(C(=O)NCCn2ccnn2)cnn1-c1ccccn1 584908510 VYFDJBIHCYVIFP-UHFFFAOYSA-N 325.376 1.412 0 40 EDAB COC(=O)CC1CCN(C(=O)[C@@H]2COc3ccc(O)cc3O2)CC1 585089408 LBQVZUQNVDMOJQ-HNNXBMFYSA-N 335.356 1.334 0 40 EDAB COC(=O)c1cscc1NC(=O)N1CCOC[C@H]1c1nc[nH]n1 252495371 OPBALFMNZZMDPP-JTQLQIEISA-N 337.361 1.258 0 40 EDAB CCc1cc(C(=O)N2CCOC[C@@H](Cc3cc(O)ncn3)C2)on1 257336303 YNVNDSQDKTXHDY-NSHDSACASA-N 332.360 1.064 0 40 EDAB CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(N)nc(Br)c1 585132126 OPHVPFXNAGXFEZ-QMMMGPOBSA-N 344.209 1.744 0 40 EDAB CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc2nc(O)sc2c1 585115442 ABPGGUZXMYMACW-RDDDGLTNSA-N 348.471 1.393 0 40 EDAB C[C@@H](Cc1ccccc1F)NC(=O)[C@@H](CO)NC(=O)c1ccccc1 252484286 FTOHZTARPVAHKO-SUMWQHHRSA-N 344.386 1.664 0 40 EDAB CCn1cc(CN2CCNC[C@@H]2c2cccc(C(=O)NC)c2)c(C)n1 257227906 FRNBEGXVYMKABX-GOSISDBHSA-N 341.459 1.718 0 40 EDAB Cc1ccc(Cl)c(S(=O)(=O)N[C@]2(CC(=O)O)CCOC2)c1 1600425281 OFRSPFRQMHFXAH-ZDUSSCGKSA-N 333.793 1.561 0 40 EDAB O=C(Cc1ccsc1)NCCN1Cc2cc(F)ccc2OCC1=O 253400259 KXJAAGPDOISZFO-UHFFFAOYSA-N 348.399 1.967 0 40 EDAB CN(c1cccc(NC(=S)NC[C@H]2CCCO2)c1)S(C)(=O)=O 260658804 OGHLKNOLJXYROD-CYBMUJFWSA-N 343.474 1.548 0 40 EDAB CCc1ncnc(NCc2ccc(N3CCN(C)CC3)nc2)c1F 270890040 CHJIQSFQQZZWQO-UHFFFAOYSA-N 330.411 1.937 0 40 EDAB O=S(=O)(NCCN1CCCOCC1)c1cc(F)c(F)c(F)c1 275515257 ULXXQJDDXUSLFB-UHFFFAOYSA-N 338.351 1.105 0 40 EDAB N[C@@H]1C[C@@H]2C[C@@H](C(=O)N3CCn4c(cnc4C(F)(F)F)C3)C[C@@H]21 1615544791 DBXLUSJHEOTIMO-BSJXLVFVSA-N 328.338 1.618 0 40 EDAB NS(=O)(=O)c1ccc(-c2noc(-c3coc(C4CCC4)n3)n2)cn1 1615586605 CRMAEUNEKNSREU-UHFFFAOYSA-N 347.356 1.702 0 40 EDAB Cc1nc(N2CCC[C@H]2C(=O)NCC(F)(F)F)c2cnn(C)c2n1 1615538166 CHJPHSPPOPMGMJ-JTQLQIEISA-N 342.325 1.319 0 40 EDAB COCCNC(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2 96121521 RJWOWUVAIDGBLB-UHFFFAOYSA-N 343.431 1.770 0 40 EDAB Cc1cc(S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)ccc1F 96122033 GUAZCEYQUPBOPW-UHFFFAOYSA-N 349.449 1.578 0 40 EDAB O=C(c1cccc(O)n1)N1CC[C@H](O)[C@H](Cc2ccccc2F)C1 585276374 JDSIXQAZIGGZFR-CJNGLKHVSA-N 330.359 1.992 0 40 EDAB CCCC[C@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)C(=O)OC 585141723 ZECFSTCWYITZKR-LBPRGKRZSA-N 348.852 1.809 0 40 EDAB Cc1ccoc1C(=O)N1CCn2cc(CC(=O)N(C)C)nc2[C@H]1C 585096634 WXSYUFCYIJWGOY-GFCCVEGCSA-N 330.388 1.632 0 40 EDAB O=C(CN1C(=O)CC[C@@]12CCCN(CC1CC1)CC2)N1CCCC1 585100713 UOAWRLJVOCRUPH-LJQANCHMSA-N 333.476 1.866 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2cccc(C(F)(F)F)c2)[C@@H]1O 585286098 JCHQOMXCCWBPTO-UPJWGTAASA-N 333.306 1.552 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2ccccc2Nc2ccccc2)CCO1 50856957 BGLCEDGVWVKIPH-MRXNPFEDSA-N 325.368 1.757 0 40 EDAB CCc1cc(N2CCN(Cc3c(C)noc3C)CC2)n2ncnc2n1 51956932 XZKZOFANSBRWSA-UHFFFAOYSA-N 341.419 1.614 0 40 EDAB O=C(N[C@@H](CO)CC1OCCO1)N[C@@H]1CCCOc2ccccc21 1615054991 DXJPUEFJNGBZJO-TZMCWYRMSA-N 336.388 1.323 0 40 EDAB CC1(C2CCN(c3nnnn3[C@H]3CO[C@@H](C4CC4)C3)CC2)OCCO1 1616031887 FMFBHLFMZKVHAY-HUUCEWRRSA-N 349.435 1.393 0 40 EDAB CC(=O)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1 1772595310 LQVSVEUTNZXKMB-QGZVFWFLSA-N 343.427 1.068 0 40 EDAB CC1(C)S[C@H]2[C@H](NC(=O)NC3CCCCC3)C(=O)N2[C@@H]1C(=O)O 5415749 YGYNBLXWUDRFHI-FOGDFJRCSA-N 341.433 1.134 0 40 EDAB CCCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccccc1 12233615 OEOZVIRCGSDFLW-UHFFFAOYSA-N 327.388 1.710 0 40 EDAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)cc2n1 12276501 ITZWHXFURPVZKK-UONOGXRCSA-N 330.388 1.840 0 40 EDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)c1ccccn1)CC3 13226790 BRIRXVBJYBFDIY-UHFFFAOYSA-N 340.408 1.860 0 40 EDAB COc1ccc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cn1 14269073 RXKSPKQSCVYMMJ-UHFFFAOYSA-N 347.396 1.882 0 40 EDAB CC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(OC)cc1 19500480 JDOCRYKXHCJLRY-ZDUSSCGKSA-N 333.388 1.593 0 40 EDAB CN(C)CCCNC(=O)[C@@H]1[C@@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C 19576226 GHJVQEULJIRVQR-PMUMKWKESA-N 329.400 1.142 0 40 EDAB C[C@@H](CNC(=O)Cc1cc(Br)ccc1F)c1nnn[nH]1 153474810 GEXTZELJQMFCPK-ZETCQYMHSA-N 342.172 1.564 0 40 EDAB CCN(C(=O)COc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 4504785 YDNFPVREOHVRKE-LBPRGKRZSA-N 327.402 1.110 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CN(c2cc(-n3ccnc3)ncn2)C1 575604694 CYWQGEPBCFEUGU-HIFRSBDPSA-N 340.431 1.793 0 40 EDAB COc1ccc(/C=C/C(=O)OCC(=O)NCC(F)(F)F)c(OC)c1 3485616 UOTUKULWCRQWFX-GQCTYLIASA-N 347.289 1.939 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4505438 MNDLSCUKLJXMRC-GFCCVEGCSA-N 331.459 1.450 0 40 EDAB O=C([C@@H]1CN(c2nnc(C3CC3)s2)CCO1)N1CCSCC1 1888834755 RKUBMBLGFNKPSN-NSHDSACASA-N 340.474 1.196 0 40 EDAB CC1(C)C[C@H]1C(=O)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888850282 JNKXJSBOMWAFIU-NSHDSACASA-N 334.395 1.893 0 40 EDAB Cc1ccc(N2C[C@@H]3CN(Cc4nc(C(C)C)no4)C[C@H]3C2)nn1 1888856802 HWZKDPBTHYKKGQ-KBPBESRZSA-N 328.420 1.860 0 40 EDAB COc1ccc(C(C)(C)C(=O)N2CCN(C)[C@@H](C(=O)N(C)C)C2)cc1 1848356710 ROWVKHUHVMQACZ-MRXNPFEDSA-N 347.459 1.204 0 40 EDAB C=CC(=O)Nc1ccc(C(=O)N(C)CC(=O)NCCCOC)cc1 1544073902 JZUAEEKWHWGJKR-UHFFFAOYSA-N 333.388 1.036 0 40 EDAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)C3(F)CCC3)CC[C@@H]21 1565546772 DMUALXWXSGFMSQ-ILXRZTDVSA-N 349.410 1.008 0 40 EDAB CC1CC(C(=O)N2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)C1 1565545567 KGMUNXWKUUDMBB-RUXDESIVSA-N 344.477 1.122 0 40 EDAB NC(=O)C1(N2CCCCC2)CCN([C@@H]2OC(=O)c3ccccc32)CC1 106585 UOAIYXLSWVRARN-MRXNPFEDSA-N 343.427 1.661 0 40 EDAB COc1ccc(OC)c(NC(=O)NCCCn2ncccc2=O)c1 23241681 LCXZBMJMNPQOQH-UHFFFAOYSA-N 332.360 1.472 0 40 EDAB O=C(N[C@@H]1CCCN(Cc2noc(C3CCOCC3)n2)C1)C1CC1 1006517458 YRXYTQWQCYYGOE-CQSZACIVSA-N 334.420 1.454 0 40 EDAB O=C1CCCN1c1cc(CNS(=O)(=O)c2cccs2)ccn1 575621031 XDFVZQCLMMSJKE-UHFFFAOYSA-N 337.426 1.748 0 40 EDAB O=S(=O)(NCc1cn(-c2ccncc2)nn1)c1cccc(Cl)c1 575615609 FQGIAYHMBQCGDJ-UHFFFAOYSA-N 349.803 1.794 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c(=O)[nH]1 10458688 MBILZLKMBIWRHT-CYBMUJFWSA-N 331.416 1.399 0 40 EDAB Cc1cc(C)n2nc(CC(=O)Nc3ccc4c(c3)OCO4)nc2n1 31549806 UFBSGKJBTBDGKA-UHFFFAOYSA-N 325.328 1.651 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc21 40521524 UCDXJFPOSFEWIN-CYBMUJFWSA-N 342.399 1.123 0 40 EDAB O=C(NCc1ccc(-n2ccnc2)nc1)N1CC[C@H](N2CC=CC2)C1 101384594 MRHJTOWZMRHBDL-INIZCTEOSA-N 338.415 1.423 0 40 EDAB O=c1c(NCc2ccncc2)c(N[C@H](CO)Cc2ccccc2)c1=O 101693695 OYFYDLQDFBNYQO-HNNXBMFYSA-N 337.379 1.305 0 40 EDAB COc1cccc(N2CC[C@@H](CNC(=O)[C@H](C)n3cncn3)C2)c1 69920806 FTRNXLBWULCGSL-KBPBESRZSA-N 329.404 1.490 0 40 EDAB Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCN(C)Cc1ccccc1 83713467 GXVORGHEDFNDRZ-MRXNPFEDSA-N 342.447 1.853 0 40 EDAB O=C(NCCNc1ncccn1)NC[C@@H](O)c1ccc(F)cc1F 46499629 DYQYZDHTDQTRLV-CYBMUJFWSA-N 337.330 1.200 0 40 EDAB CCN(CC)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 29915375 MREIWIDVRIRFOH-UHFFFAOYSA-N 349.460 1.335 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)NCCCS(C)(=O)=O)c1C 60569503 SMSUEWGAMGLNQC-UHFFFAOYSA-N 333.475 1.633 0 40 EDAB CCN1CCN(C(=O)NCc2nccn2Cc2ccccc2)CC1 78953372 ZBXVDHODTFYZSS-UHFFFAOYSA-N 327.432 1.779 0 40 EDAB CCN1CCO[C@H](CC(=O)Nc2cc(Cl)ccc2OC)C1=O 2241973 NLFAQTBSCDETMG-CYBMUJFWSA-N 326.780 1.925 0 40 EDAB Cc1ccccc1-n1nc2c(c1NC(=O)C1CC1)CS(=O)(=O)C2 4088639 HBQSUGRTIPUEGO-UHFFFAOYSA-N 331.397 1.958 0 40 EDAB CC(C)c1cc(C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cs1 4651933 VCCBENNLQWTAGS-NIFPGPBJSA-N 334.397 1.679 0 40 EDAB O=C(NCc1ccccn1)[C@H]1CCN1S(=O)(=O)c1ccccc1 97134253 MCHYLIKFCWHKED-OAHLLOKOSA-N 331.397 1.161 0 40 EDAB CCn1cnnc1SCC(=O)NCCOc1ccccc1OC 7868825 PGEAZJHPFMGPDL-UHFFFAOYSA-N 336.417 1.594 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@H](c2cccc(F)c2)N1 12113419 KZLQTEGPKPTQSG-DOMZBBRYSA-N 331.347 1.455 0 40 EDAB Cc1ccc(F)cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102971662 AORYSVLQBQXDDT-KUDNYVPYSA-N 328.343 1.880 0 40 EDAB COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)NC(C)(C)C 12201001 WYAMEMWUMHRYDT-UHFFFAOYSA-N 340.401 1.425 0 40 EDAB CN1C(=O)N(C)[C@]2(c3ccccc3)NC(=O)NN[C@]12c1ccccc1 507113 BZMQSOMCHOSZCM-ZWKOTPCHSA-N 337.383 1.507 0 40 EDAB Cc1cc(C(=O)N2CCN([C@@H](C)c3ccccn3)CC2)cc(=O)[nH]1 97143376 KQGHLTLLJZNRPT-AWEZNQCLSA-N 326.400 1.597 0 40 EDAB CCn1nc(C)c(CNC(=O)c2nc(-c3cccnc3)no2)c1C 12389893 RLXOUAUKADLLSJ-UHFFFAOYSA-N 326.360 1.895 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)nn12 8394466 ASTQQJXQOZDFNY-DRZSPHRISA-N 345.403 1.530 0 40 EDAB Cc1nn(C)c2cnn(CCNC(=O)c3ccc4c(c3)OCO4)c12 57279792 MDIRPOONWIOTIA-UHFFFAOYSA-N 327.344 1.237 0 40 EDAB C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccncc1 22622144 VLRHSUWLTRLYIO-ZDUSSCGKSA-N 347.440 1.664 0 40 EDAB C[C@@H](Nc1ncnc2c1cnn2CCO)c1ccc2c(c1)OCO2 97199848 OXCXDYSPIKBOPZ-SNVBAGLBSA-N 327.344 1.720 0 40 EDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCCN(Cc2ccccc2)CC1 53721339 DNJQTCAZNOKHRB-KRWDZBQOSA-N 341.455 1.732 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 53895127 RZLYXGHSBZAXMT-NSHDSACASA-N 328.347 1.912 0 40 EDAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)COC)c1 22847341 ATTJAXXZVSRFJI-UHFFFAOYSA-N 328.434 1.919 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 107731321 VQIZJDQRJKYBQJ-OCCSQVGLSA-N 344.412 1.001 0 40 EDAB Cc1nn(CCO)c(C)c1CNCc1cccnc1-n1cccn1 97159947 USKBRRPZPSQARR-UHFFFAOYSA-N 326.404 1.363 0 40 EDAB CCNCCNS(=O)(=O)c1ccc(Br)cc1Cl 54266207 JFEMFSIRRKCTSK-UHFFFAOYSA-N 341.658 1.990 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 42533127 CZTOUSBZOLYAEG-ZDUSSCGKSA-N 343.383 1.822 0 40 EDAB CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O 3133963 LMVZKASXYQOUSK-CYBMUJFWSA-N 336.388 1.889 0 40 EDAB Nc1nc(Cl)cc(N2CCN(CCOc3ccccc3)CC2)n1 24056543 UREHUTIXBUPUDT-UHFFFAOYSA-N 333.823 1.913 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)[C@@H]1C[C@H]2CC[C@H]1C2 105886432 ZJKDFRYKPWMJSO-YTFOTSKYSA-N 328.478 1.741 0 40 EDAB Cc1cc(CN(C)C(=O)CN2C(=O)[C@H](C)Oc3ccccc32)no1 25138035 UDPFNTARZTVATJ-LBPRGKRZSA-N 329.356 1.756 0 40 EDAB Cc1noc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)n1 97235972 SDGBQALCBXARKE-LBPRGKRZSA-N 346.362 1.537 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CCN(c2cnccn2)CC1 25343086 JKKFRKBCMZUEGD-UHFFFAOYSA-N 336.399 1.634 0 40 EDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 107583627 YTZQMZRBNZMZOW-QXDIGNSFSA-N 332.492 1.739 0 40 EDAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2 3239778 OQIWTVXSTLDOBA-UHFFFAOYSA-N 343.291 1.940 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 56954873 PCYJCEQVYIEAOY-HNNXBMFYSA-N 349.435 1.394 0 40 EDAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)cc2c1OCCO2 57115504 FBBFPEJEPONJPJ-UHFFFAOYSA-N 335.337 1.957 0 40 EDAB O=c1[nH]c2ccccc2n1CCCSc1nc2ncccn2n1 10074124 YVTBFUHSAOZNKE-UHFFFAOYSA-N 326.385 1.950 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc(C2CC2)n[nH]1 58162427 CGEHSESLRAVPNB-UHFFFAOYSA-N 325.376 1.913 0 40 EDAB CN(CCC(=O)NC(N)=O)Cc1cc(Br)ccc1F 58185694 JOUQHWNKMAHXIS-UHFFFAOYSA-N 332.173 1.605 0 40 EDAB Cc1cc2n(n1)C[C@@H](CN[C@@H]1CCCN(c3ncccn3)C1)CN2 58298861 PEMZFHYSMOEYQC-LSDHHAIUSA-N 327.436 1.282 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCC(C(=O)NCC(F)(F)F)CC1 27781583 FCTPZCRHMCQDEM-ZDUSSCGKSA-N 343.349 1.604 0 40 EDAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCc2ccccc2C1 44936334 TVMLDDPJXZCNNW-UHFFFAOYSA-N 334.397 1.742 0 40 EDAB CC(C)c1nn(C)c(Cl)c1CN1CCN(CC(=O)N(C)C)CC1 44973804 BBQCDQOAJMOHGO-UHFFFAOYSA-N 341.887 1.403 0 40 EDAB COC(=O)c1ccc(NC[C@H](c2ccc(C)o2)N2CCOCC2)nn1 58357818 YUTRTOXIDPWSFL-CQSZACIVSA-N 346.387 1.650 0 40 EDAB O=C1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c2ccccc2N1 58343283 HJFMMIWYXBASQQ-LBPRGKRZSA-N 339.351 1.613 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N1CC(Oc2ccncc2)C1 58415263 MUJWKOMTKZJTDJ-UHFFFAOYSA-N 338.429 1.419 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)c2cn(C)c3ccccc23)n1 10536517 PMNFCBSFHPQEKL-UHFFFAOYSA-N 326.360 1.369 0 40 EDAB COc1ccc(-c2nc(CN3C(=O)CN(C4CC4)C3=O)no2)cc1 48331422 AYQZEGDJMNGJMP-UHFFFAOYSA-N 328.328 1.672 0 40 EDAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1nccs1 48325624 BGNUFFLNHCBTKV-UHFFFAOYSA-N 330.457 1.942 0 40 EDAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 12873520 IQYLCZCBLFXMDV-CYBMUJFWSA-N 347.440 1.907 0 40 EDAB Cc1cccc(C)c1NC(=O)CCn1cnc2c(cnn2C)c1=O 11479660 LVLJHZDZYRLKGA-UHFFFAOYSA-N 325.372 1.776 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)Cn1nnn(-c2ccccc2)c1=O 12864106 ODVMCHRSMAVXFU-UHFFFAOYSA-N 341.346 1.227 0 40 EDAB CCNC(=O)NC(=O)COC(=O)c1c(-c2ccccc2)noc1C 3497337 FOTCIKQYKCUAFT-UHFFFAOYSA-N 331.328 1.653 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(F)cc1 3430023 MJLWFWWEYJPAOB-BTDLBPIBSA-N 333.363 1.723 0 40 EDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)NC1CCCCC1 13149712 GFZXJBAPBCMKNN-ZSOIEALJSA-N 326.418 1.415 0 40 EDAB CNC(=O)NC(=O)CCCN1CCO[C@@H](c2ccc(Cl)cc2)C1 63518198 OJXTWMWENBFNBH-CQSZACIVSA-N 339.823 1.949 0 40 EDAB CCc1ccccc1N1C[C@@H](C(=O)NCCN2CCOCC2)CC1=O 20371574 ZNNRVNNSLHNSDA-INIZCTEOSA-N 345.443 1.050 0 40 EDAB CC(=O)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccco1 6100921 TUWPUFJAESYLCX-UHFFFAOYSA-N 344.323 1.394 0 40 EDAB C[C@H](NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)c1ccccc1 65453000 ABJQFFRHJIHJRK-ZFWWWQNUSA-N 339.461 1.861 0 40 EDAB C[C@H]1c2cccn2CCN1CC(=O)NCC(=O)Nc1ccc(F)cc1 14186921 JYVQLJLLGARBHO-ZDUSSCGKSA-N 344.390 1.759 0 40 EDAB CCOC(=O)c1cnn(C)c1NC(=O)COc1ccc(OC)cc1 14171945 CJGXDGCLEKEOEM-UHFFFAOYSA-N 333.344 1.623 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc[nH]c3=O)CC2)cc1 6970680 ZATBMZXPHZUKTG-UHFFFAOYSA-N 325.368 1.540 0 40 EDAB O=C(O)CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)CC(=O)N2 4935302 QPJQOEGWPAMQEE-LLVKDONJSA-N 343.343 1.403 0 40 EDAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)NC(C)(C)C)c(=O)n12 67235197 GCEBQOSIKZHREW-UHFFFAOYSA-N 339.399 1.781 0 40 EDAB O=C(O)c1[nH]ncc1CN1CCc2[nH]cnc2[C@@H]1c1cccc(O)c1 67787297 DNWCGYMSNPGXGX-INIZCTEOSA-N 339.355 1.684 0 40 EDAB CN(CCOc1ccccc1)CC(=O)NC(=O)NCc1ccco1 7685319 KBBAJYJRJULMSH-UHFFFAOYSA-N 331.372 1.616 0 40 EDAB O=S(=O)(NCc1nccn1CCc1ccccc1)c1c[nH]cn1 96000508 ARFMWLJUWILPOY-UHFFFAOYSA-N 331.401 1.327 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1nnc2ccccc2c1=O 7888261 WZSGHLANRRNINU-YPMHNXCESA-N 343.387 1.196 0 40 EDAB CC(=O)N[C@@H](CC(=O)NCc1nnc2ccccn12)c1ccccc1 7898677 SMYWEVOISXYRMB-HNNXBMFYSA-N 337.383 1.613 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@H](C)N2CCOC[C@@H]2C)sc1C 91041198 BOANZTBFNYCUFY-RYUDHWBXSA-N 332.491 1.752 0 40 EDAB CCN(CC)c1ccc(C(=O)NN2C(=O)N[C@@](C)(CC)C2=O)cc1 8194440 VBEPTOZGQPXGPR-KRWDZBQOSA-N 332.404 1.898 0 40 EDAB Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1-c1ncn[nH]1 8156353 GBWQOELQKXZOTP-UHFFFAOYSA-N 344.404 1.509 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12 87086747 QQZDZTBOQWHRPZ-SIIHOXLZSA-N 325.416 1.870 0 40 EDAB CCn1ccnc1CN1CCN([C@H](C)C(=O)N2CCCCCC2)CC1 69377652 SVFXXOQYUMSKFO-QGZVFWFLSA-N 347.507 1.812 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC[S@](=O)c3ccccc3)CC2)n1 69393450 NZLVXJNGADLWFA-LFPIHBKWSA-N 348.472 1.864 0 40 EDAB CCN(CC)CCC[C@@H](C)NC(=O)c1ccccc1-n1cnnn1 69323454 KRIKXRMRKBIBNO-CQSZACIVSA-N 330.436 1.903 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccc3c(c1)nnn3CC)C2 69458062 ZGNUWXVIZRLTEJ-UHFFFAOYSA-N 325.376 1.261 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)CCN2CCn3c(C)nnc3C2)c1 69487829 ITQUHHFBQUXKHY-UHFFFAOYSA-N 334.445 1.493 0 40 EDAB O=C(NCCN1CCOCC1)c1cnc(Cc2ccc(F)cc2)s1 69420955 SYPVZEMMILIWQP-UHFFFAOYSA-N 349.431 1.935 0 40 EDAB O=C(CC1CCCCC1)NCCNC(=O)N1CCC(CO)CC1 69414741 IOZURKKLAIXITH-UHFFFAOYSA-N 325.453 1.487 0 40 EDAB C[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CCN1Cc1nccn1C 69568488 IWFJHJFVLKVTOA-OAHLLOKOSA-N 342.443 1.898 0 40 EDAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)Cc1ccc(-n2cnnn2)cc1 69527632 SGBQSZIPXGWOEE-IRXDYDNUSA-N 349.394 1.886 0 40 EDAB COc1ccnc(N2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)n1 69699277 IEPXXZYGGFNQLV-OAHLLOKOSA-N 332.379 1.480 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1cc(OC)c3c(c1)OCCO3)CC2 69621157 UIPDQTBKHFVAJI-CYBMUJFWSA-N 344.415 1.725 0 40 EDAB Cc1noc(CCNC(=O)NCc2ccc(Cn3cncn3)cc2)n1 69702947 XRVGRSFKIZAUHC-UHFFFAOYSA-N 341.375 1.060 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)N2CCOc3ccccc32)CC1 69892720 BACGIRJJZJNTJY-HUUCEWRRSA-N 343.427 1.212 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 69842008 MOIDGTIOEFWGCG-QWHCGFSZSA-N 347.481 1.562 0 40 EDAB C[C@H](NC(=O)CNC[C@@H]1CN(C)CCO1)c1ccc2c(c1)CCCC2 69869735 ZPCCMUBIAYJCCY-HNAYVOBHSA-N 345.487 1.663 0 40 EDAB CC(C)(C)c1ncc(NC(=O)NCC(=O)NCc2ccco2)cn1 69808613 MHQCUGKTPJWOAY-UHFFFAOYSA-N 331.376 1.805 0 40 EDAB Cc1cc(N2CCNC(=O)C[C@H]2C)n2nc(C(F)(F)F)nc2n1 71889397 UDCUVCCUBBHPCT-MRVPVSSYSA-N 328.298 1.166 0 40 EDAB CC[C@H](NC(=O)c1ccc[nH]c1=O)c1ccccc1OCC(=O)NC 71819899 WXUHXZQXMRFFLV-AWEZNQCLSA-N 343.383 1.381 0 40 EDAB Cc1nc2ccnn2c(C)c1CCC(=O)N1CCN2CCCC[C@@H]2C1 71839725 FCPKAMQVSQEEHY-MRXNPFEDSA-N 341.459 1.975 0 40 EDAB CN(CC(=O)Nc1cnn(-c2ccccc2Cl)c1)S(C)(=O)=O 71882873 UPQGTPYJIKEDSM-UHFFFAOYSA-N 342.808 1.356 0 40 EDAB CN[C@H]1CCN(C(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)C1 97228891 OKBYTJLCMKPNGF-HNNXBMFYSA-N 348.406 1.820 0 40 EDAB Cc1ccc(N2CC[C@H](C(=O)N3CC[C@@]4(CCOC4)C3)C2=O)cc1 84150575 BPXIVNUUXZPQPE-VQIMIIECSA-N 328.412 1.987 0 40 EDAB Cc1cc(NC(=O)CN2CC[C@@H](N(C)Cc3ncc(C)o3)C2)n(C)n1 84101854 LPPZMSWDYSLXAL-CQSZACIVSA-N 346.435 1.170 0 40 EDAB O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@H](O)C1 97096065 MTTGKZGDZQPHMI-VIFPVBQESA-N 338.198 1.734 0 40 EDAB O=C(CCOc1cccc(F)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269069 WBJYULGQVAAXDM-IRXDYDNUSA-N 336.407 1.652 0 40 EDAB Cc1ccc(CN(C)C(=O)CN[C@H]2CCc3nc(C(C)C)nn3C2)o1 72267465 XNNBFNVKYOBJEH-AWEZNQCLSA-N 345.447 1.866 0 40 EDAB Cc1nn(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c(C)c1Cl 72268998 TVCHEXMMGYLDCG-ZIAGYGMSSA-N 340.855 1.211 0 40 EDAB O=C(c1nc(Cl)ccc1Cl)N1CCC[C@@H](c2nnn[nH]2)C1 84425340 GCTPUPWQECZSLI-SSDOTTSWSA-N 327.175 1.921 0 40 EDAB COC(=O)c1oc(CN2CCN(c3ccc(O)nn3)CC2)cc1C 95395094 KLFVNAWDWQPCNG-UHFFFAOYSA-N 332.360 1.192 0 40 EDAB CC[C@H](NC[C@@H]1CCO[C@@H]1c1cnn(C)c1)C(=O)Nc1cc(C)on1 84718748 BBHJPVMPIJMFEJ-NOLJZWGESA-N 347.419 1.801 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(CCC(=O)Nc3cc(C)on3)CCO2)n1 84759013 DKEQWQKYGHJUNQ-LBPRGKRZSA-N 348.407 1.456 0 40 EDAB CCO[C@H](C(=O)N1CCC[C@@H]([C@H]2NC(=O)NC2=O)C1)c1ccccc1 97931187 RMGHSMKGQOIIBD-KFWWJZLASA-N 345.399 1.211 0 40 EDAB CNCC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 95972625 FMIGBGGWHVFJQM-UHFFFAOYSA-N 337.445 1.191 0 40 EDAB CC(C)N1CC[C@H](Nc2ccc(F)cc2CS(C)(=O)=O)C1=O 95965862 JAUUEDICBCAOMA-AWEZNQCLSA-N 328.409 1.792 0 40 EDAB O=S(=O)(CCN1CCO[C@@H]([C@@H]2CCCO2)C1)c1ccccc1 89099537 UPECEUVMVFEKCX-JKSUJKDBSA-N 325.430 1.340 0 40 EDAB COc1cccc(-c2noc(CN(C)CCCS(C)(=O)=O)n2)c1 89346073 LFWOJKMSQAHOHN-UHFFFAOYSA-N 339.417 1.612 0 40 EDAB NC(=O)c1cc(NC(=O)CN2C(=O)CCc3ccccc32)ccc1F 75136762 CDYUMWKFLDAWNG-UHFFFAOYSA-N 341.342 1.843 0 40 EDAB Cc1cnn(-c2ccc(S(=O)(=O)Nc3nncs3)cc2F)c1 89702532 QBQUGHQGPBVDHH-UHFFFAOYSA-N 339.377 1.972 0 40 EDAB Cc1cccnc1NC(=O)NC[C@H]1CCN(CCN2CCOCC2)C1 89700585 QOHMMTXMBUSUQS-MRXNPFEDSA-N 347.463 1.166 0 40 EDAB CC[C@@H]1CCC[C@H](NC(=O)N(C)C[C@H](O)CN2CCN(C)CC2)C1 89948251 MKNGXSSEPOHQNJ-IKGGRYGDSA-N 340.512 1.205 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1ccc(C(F)(F)F)cn1)CC2 65458006 MRKCBFZVEJEJKP-SNVBAGLBSA-N 325.294 1.745 0 40 EDAB CCCCCN1CC(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 36080487 MVPPJYPBQRMFBV-JKSUJKDBSA-N 336.457 1.691 0 40 EDAB C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC2)n1Cc1ccccc1 555176485 AEWDMFQKQMXMSB-ZDUSSCGKSA-N 349.460 1.537 0 40 EDAB CSC[C@H]1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1 73909391 KGOLWSFBCRENAD-INIZCTEOSA-N 348.516 1.805 0 40 EDAB COC(=O)[C@H](c1ccccc1F)N1CC[C@H](CN2CCOCC2)C1 72688516 BEKWMCZNPLVMRK-PBHICJAKSA-N 336.407 1.694 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nc(C)c(C)n1C[C@H]1CCCO1 32719388 HXAYYJJKMHWBIW-NWDGAFQWSA-N 340.449 1.615 0 40 EDAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 32753811 PPMVPUINTCLNRX-UHFFFAOYSA-N 345.786 1.627 0 40 EDAB CC(C)c1noc(CCC(=O)Nc2ccc(-n3cncn3)nc2)n1 33008203 AVTHDXKPYNDLAT-UHFFFAOYSA-N 327.348 1.740 0 40 EDAB COCCNC(=O)C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C 36353154 AEMCBUSBOMFZFQ-UHFFFAOYSA-N 344.293 1.293 0 40 EDAB O[C@H](CN1CCN(c2ncccn2)CC1)c1ccc2c(c1)CCO2 36741393 MSOGTMNZQYUNGK-MRXNPFEDSA-N 326.400 1.267 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)[C@H](C)N2CCc3ccccc3C2)C1 78928774 ZFCWCUIECYZSCY-YOEHRIQHSA-N 345.443 1.780 0 40 EDAB CCOC(=O)N1CCN(c2nc(C)nc3c(C)nn(CC)c23)CC1 72264817 ZFGHYOQFCIHSNR-UHFFFAOYSA-N 332.408 1.742 0 40 EDAB CCN1CCN(C[C@@H](O)COCCOc2ccc(F)cc2)CC1 41690248 TUQOICJMPGBSKU-MRXNPFEDSA-N 326.412 1.220 0 40 EDAB Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc2c(c1)COC2=O 85876325 UHLMIAGFUHDSRE-UHFFFAOYSA-N 342.351 1.952 0 40 EDAB biogenic CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccccc1F 224358653 UPMOGOBFTHQGRY-UHFFFAOYSA-N 345.378 1.771 0 40 EDAB CC(C)Oc1cncc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)c1 583650988 DTSRFKWCDCZJRH-UHFFFAOYSA-N 349.412 1.697 0 40 EDAB CN(Cc1ccco1)[C@@H]1CN(S(=O)(=O)C2CC2)[C@@H]2CCCO[C@H]12 96185995 LKQKFAQSPLMKIT-OAGGEKHMSA-N 340.445 1.435 0 40 EDAB CO[C@@H](C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21)C1CC1 577203525 YTYZLUOETDATLA-CQSZACIVSA-N 325.386 1.241 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(c3ncc(F)cn3)CC2)N1 96199713 FENJTMQKVQJVFP-AWEZNQCLSA-N 327.363 1.653 0 40 EDAB CC(C)C(=O)N1CCN(Cc2cccnc2)C[C@@]2(CC(=O)N(C)C2)C1 97952752 WFCZHXUFRSJDEX-IBGZPJMESA-N 344.459 1.230 0 40 EDAB c1cncc(CN2CCOCC3(CCN(c4cnccn4)CC3)C2)c1 96078204 JUISVIGTJHQHDM-UHFFFAOYSA-N 339.443 1.991 0 40 EDAB CC(C)NC(=O)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96223307 XJOBTMKMEXVOOD-XJKSGUPXSA-N 337.399 1.769 0 40 EDAB CS(=O)(=O)CCC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 96423017 WTRKMAWNWBVXGX-LBPRGKRZSA-N 344.864 1.860 0 40 EDAB CCCCN(C)C[C@@H]1OC[C@H](NC(=O)Cc2cccs2)[C@H]1O 514288943 LNOBAJFLNGNMFF-OFQRWUPVSA-N 326.462 1.267 0 40 EDAB biogenic,in-vitro COCCCN(Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 96476139 IOAVCHXZQUNCQJ-ZDUSSCGKSA-N 332.491 1.786 0 40 EDAB Cn1nccc1CNC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 96473640 VEVOSORGECYKJV-AWEZNQCLSA-N 333.436 1.401 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCCc1ccc(O)cc1 96345150 GZWXCIAKFGMUFY-UHFFFAOYSA-N 341.411 1.577 0 40 EDAB COc1ccc(CN2C[C@@H]3OCCN(CCN4CCCC4)[C@@H]3C2)cc1 96054378 OLKOJNGNHACCTC-UXHICEINSA-N 345.487 1.676 0 40 EDAB O=C(COC[C@]12COC[C@H]1CN(Cc1cccnc1)C2)N1CCCC1 96108809 MBNHNRLQHOHQGA-MJGOQNOKSA-N 345.443 1.169 0 40 EDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nnc(C2CCC2)o1 96410304 RWAOJLOAVBUTJQ-SNVBAGLBSA-N 348.428 1.936 0 40 EDAB Cn1cccc1C(=O)N1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96110898 YHBMHASWBLXBEY-KDOFPFPSSA-N 327.384 1.873 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Cc2ccnn2C)cc1 583623772 ISGSUSZKDNHJOM-MJGOQNOKSA-N 343.427 1.870 0 40 EDAB CNC(=O)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247977328 WNLVKVHANSFEQG-CQSZACIVSA-N 328.372 1.305 0 40 EDAB Cc1ccc(CN2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)o1 248049777 ARPVZFQSQBYHDS-CQSZACIVSA-N 338.433 1.281 0 40 EDAB Cc1cc(CCNC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc(C)c1O 252496484 PJIYUEHXCWOAEU-IAGOWNOFSA-N 347.459 1.666 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(Cc2c[nH]nc2-c2ccccc2)C1 257324305 WOCBNYWARMMRGC-MRXNPFEDSA-N 327.432 1.186 0 40 EDAB O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 585088788 STPHAWVNPAJIHL-RDGPPVDQSA-N 343.471 1.913 0 40 EDAB Cc1nn(CCS(=O)(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(=O)o1 585135189 KFBZENVHCIWJGN-TYNCELHUSA-N 343.449 1.279 0 40 EDAB Cc1cc(C[C@@H]2COCCN(Cc3cnc(N(C)C)nc3)C2)ncn1 257320869 VYYJKWWSRFRBMI-HNNXBMFYSA-N 342.447 1.332 0 40 EDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2c(C)noc2C)n1 257239973 HRPYCVGGIQPESV-HNNXBMFYSA-N 343.387 1.695 0 40 EDAB CCCn1nc(C)c(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1C 257236024 HANMPWBLJVAKKZ-JFIYKMOQSA-N 348.491 1.970 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCOC[C@H](Cc3ccncn3)C2)s1 257222321 DSVIFFCQVOKJRT-CQSZACIVSA-N 346.456 1.810 0 40 EDAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H]1CCc2[nH]nnc2C1 252500879 TXNWWJSFMQBXNN-CYBMUJFWSA-N 344.415 1.976 0 40 EDAB COC[C@]1(C(=O)O)CCCN1C(=O)[C@H]1C[C@]12CCc1ccccc12 643853411 ZMXNTRJEPYREBW-MNEFBYGVSA-N 329.396 1.983 0 40 EDAB CN1CCOC[C@H]1C(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 390834999 ALXVVTPIDSREDH-RBUKOAKNSA-N 340.423 1.834 0 40 EDAB Cc1nc(C(=O)NC[C@H]2CO[C@@H]3CN(C(=O)[C@@H]4C[C@@H]4C)C[C@H]23)cs1 575403278 GUNVWLICNQNMSO-IGMMHVEYSA-N 349.456 1.311 0 40 EDAB Cn1cccc(C(=O)N2CC[C@@H](Oc3ncc(Cl)cn3)C2)c1=O 575413911 PZQXKQBPYPMELL-LLVKDONJSA-N 334.763 1.122 0 40 EDAB CNC(=O)[C@H]1CN(Cc2ccc3ncccc3c2)CCN(C(C)=O)C1 585178737 BOVAVMLAPPDALC-KRWDZBQOSA-N 340.427 1.261 0 40 EDAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)Cc3cnc[nH]3)[C@H]2O)cc1 585284966 KRMXKKVIOJJJBO-MZMPZRCHSA-N 329.400 1.595 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CC(F)(F)C2)C1 585095663 AJRPZJLDQRXWRI-LBPRGKRZSA-N 326.347 1.434 0 40 EDAB O=S(=O)(c1ccccc1)N1CC2(C[C@@H](CO)CN2CC2CC2)C1 585093929 PZECJDIUWVHVNX-OAHLLOKOSA-N 336.457 1.154 0 40 EDAB COC(=O)[C@H]1CN(S(=O)(=O)N2CCCCC2)Cc2ccccc21 599504743 FXKIOIJXZLDXIE-HNNXBMFYSA-N 338.429 1.490 0 40 EDAB CC(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 55198871 ZZMPHITXWRZUQV-QGZVFWFLSA-N 343.427 1.116 0 40 EDAB COc1ccccc1-c1cc(NC(=O)c2ccc(=O)n(C)n2)[nH]n1 58011292 LBRUMRQSNALQLY-UHFFFAOYSA-N 325.328 1.431 0 40 EDAB Cn1cnc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c1 69115671 HHIDHLGOBCNWGT-UHFFFAOYSA-N 348.472 1.611 0 40 EDAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCO[C@@H](C(N)=O)C1 69570467 GHEGZGVPILZKKK-BXKDBHETSA-N 346.305 1.185 0 40 EDAB Cc1ccc2oc(N3CCN(C[C@@H](O)Cn4cccn4)CC3)nc2c1 69652583 MABCPNWRNZZOBM-OAHLLOKOSA-N 341.415 1.516 0 40 EDAB Cc1nc([C@H]2CCCN2CC(=O)NCCOc2cccc(F)c2)no1 75573197 CFPBHCJHGUZYTI-OAHLLOKOSA-N 348.378 1.849 0 40 EDAB COC(=O)c1cc(C(=O)OC)c(Br)c(C(=O)OC)c1 98181435 UIYUIQLZRLRWPI-UHFFFAOYSA-N 331.118 1.809 0 40 EDAB CCOC(=O)c1cc(Cl)nnc1N(C)Cc1nnc2ccccn12 1615003602 WECYGSNUOYOHJU-UHFFFAOYSA-N 346.778 1.986 0 40 EDAB N[C@@H]1C[C@@H]2C[C@H](C(=O)NCC3CCN(CC(F)(F)F)CC3)C[C@@H]21 1615616175 IMHAQJDYEGCFHQ-XDQVBPFNSA-N 333.398 1.750 0 40 EDAB CN1CCC[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C1 12195049 UGINEQMJWJSSFX-NSHDSACASA-N 344.381 1.991 0 40 EDAB CS(=O)(=O)c1snnc1[C@H]1CCCN(C[C@@H]2CCC=CO2)C1 12730450 WKRQPYILGBZGOA-RYUDHWBXSA-N 343.474 1.814 0 40 EDAB Cc1cc2nc([C@@H]3CCN(C(=O)c4oc(C)nc4C)C3)cc(O)n2n1 13226856 SHZWFCVKFRCELE-GFCCVEGCSA-N 341.371 1.978 0 40 EDAB Cc1nn(C(=O)c2ccco2)c(C)c1S(=O)(=O)N1CCCCC1 16976588 UPSGXQCKEURYHF-UHFFFAOYSA-N 337.401 1.956 0 40 EDAB COCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C 17321380 BOMVOLLGLCDLTA-AWEZNQCLSA-N 328.434 1.061 0 40 EDAB Cc1ccc(CNC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 19596175 LNGODFIUXNLAML-UHFFFAOYSA-N 332.425 1.891 0 40 EDAB CCOC(=O)CCCNC(=O)COC(=O)/C=C/c1ccc(OC)cc1 5837419 WIIXFBZMBQILGE-DHZHZOJOSA-N 349.383 1.711 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)NCCc2ccc(C(=O)O)cc2)c1 13443358 CRDYOKXIKRKGMR-UHFFFAOYSA-N 347.392 1.761 0 40 EDAB CS(=O)(=O)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889128704 AYXLSPLJEQHGCH-ONGXEEELSA-N 335.351 1.571 0 40 EDAB CCc1cnc(OC2CCN(C(=O)NC[C@@H]3CCCO3)CC2)nc1 1776001979 WYPHTANFKIFKTN-HNNXBMFYSA-N 334.420 1.771 0 40 EDAB Cc1ocnc1C(=O)N1C[C@H](c2ccccc2)[C@H]2OCC(=O)NC[C@H]21 2037985183 ZXFCYQFKTQOBSE-CKEIUWERSA-N 341.367 1.106 0 40 EDAB COCCNC(=O)[C@]12C[C@H]1CCN2C(=O)Nc1ccc(F)c(F)c1 2056224900 FBEMRGBLVUQPLE-HWPZZCPQSA-N 339.342 1.724 0 40 EDAB NC(=O)Cn1c(CO)cnc1SCc1c(F)cccc1Cl 9827673 RMKBTTFHSHGPEL-UHFFFAOYSA-N 329.784 1.946 0 40 EDAB COc1cn(CC(=O)NC(C)C)c(CSc2ncccn2)cc1=O 10254947 LCGRNKCKBRSJBN-UHFFFAOYSA-N 348.428 1.464 0 40 EDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccco1 10330918 XQFLTEWUQWPYHB-LBPRGKRZSA-N 345.355 1.366 0 40 EDAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CC[C@@H](CF)C1)CS2 1848762866 XGPCNWDTDZWYCI-NWDGAFQWSA-N 325.409 1.715 0 40 EDAB CCn1cc(CN2CC[C@](Nc3cccc(F)c3)(C(=O)NC)C2)cn1 2055747783 VWRHKTIOTVJDDH-GOSISDBHSA-N 345.422 1.845 0 40 EDAB Cc1nc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)N3CCOCC3)C2)cs1 2055815402 ICWRISFHAUNAIH-MLGOLLRUSA-N 335.429 1.163 0 40 EDAB O=C(NCC1(N2CCOCC2)CCC1)Nc1ccc2c(c1)OCO2 1775974144 CDHYLCOHVNCZGO-UHFFFAOYSA-N 333.388 1.792 0 40 EDAB Cc1cc2c(N3CCN(c4ccc5nnc(C)n5n4)CC3)nccn2n1 302569233 OTYWBRRJVNMRMY-UHFFFAOYSA-N 349.402 1.110 0 40 EDAB Cc1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3S(C)(=O)=O)cc1F 225667929 PLHYIOYUGBQLSS-AGUYFDCRSA-N 340.420 1.819 0 40 EDAB COc1cccc(C(=O)N2CCN(c3cccnc3)C(=O)C2)c1OC 585150167 IFDPASZNBSRJTH-UHFFFAOYSA-N 341.367 1.588 0 40 EDAB COc1ccc(N[C@H](C)C(=O)NC(N)=O)cc1OC[C@@H]1CCCO1 30454594 GYKWWNSHTNIBBJ-PWSUYJOCSA-N 337.376 1.248 0 40 EDAB COc1cc2c(cc1CNCCCN(C)S(C)(=O)=O)O[C@@H](C)C2 30914184 RCQRHIRYYSSBGB-LBPRGKRZSA-N 342.461 1.390 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)NCCc2ccc(F)cc2)c1 30986761 YLNOHEQSUNYWSJ-UHFFFAOYSA-N 337.376 1.837 0 40 EDAB O=S(=O)(Nc1ccc(-n2cncn2)nc1)c1ccc(F)cc1F 40497567 GMPZSUHIYFWYQN-UHFFFAOYSA-N 337.311 1.741 0 40 EDAB C[C@H]1CCCCN1CCCNC(=O)Cn1nnc2ccccc2c1=O 40473822 LANKFBAAKTVFQR-AWEZNQCLSA-N 343.431 1.172 0 40 EDAB FC(F)(F)c1nnc2ccc(N3CCN(c4ccncc4)CC3)nn12 40480177 XTIXEQJKZHXQKJ-UHFFFAOYSA-N 349.320 1.865 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CCO1 50856385 KTOYAWBCJKWYLO-CYBMUJFWSA-N 344.392 1.634 0 40 EDAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 40541246 DEKIBCXQPMWYSN-UHFFFAOYSA-N 347.321 1.783 0 40 EDAB Cc1noc(C)c1CCC(=O)N[C@H]1CCCN(c2ncccn2)C1 40553732 WNAXNEYBSHBEGY-AWEZNQCLSA-N 329.404 1.799 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1nnc2ccccc2c1=O 40534955 NGBRBAXVYOKWIN-XJKSGUPXSA-N 344.415 1.503 0 40 EDAB CCOc1c(Cl)cccc1NC(=O)N1CCO[C@H](C(N)=O)C1 51642586 IBJKONRTBCISST-NSHDSACASA-N 327.768 1.457 0 40 EDAB CC[C@@H](Sc1ccccc1)C(=O)NCCC1=NC(=O)[C@H](C)C(=O)N1 101825087 FTKIBFYKKHYOOK-CYBMUJFWSA-N 347.440 1.755 0 40 EDAB CS(=O)(=O)CCN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52109966 BFYCJUANHAUBAI-UHFFFAOYSA-N 348.827 1.282 0 40 EDAB CCN1C[C@@H](C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)CC1=O 46166110 NLQJDIIIJDOWIE-ZFWWWQNUSA-N 341.415 1.655 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccccn1)C1CCCCC1 574922 YIYOYXACQBOWIV-UHFFFAOYSA-N 325.434 1.292 0 40 EDAB CNC(=O)NC(=O)CCN(Cc1cccs1)C[C@@H]1CCCO1 29964161 PFOBCFQYXQUXRA-LBPRGKRZSA-N 325.434 1.575 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2nccc3ccccc23)CC1 70038140 HNWRONCUWHEXAL-MRXNPFEDSA-N 343.427 1.390 0 40 EDAB Cn1cc(S(=O)(=O)NC(=O)/C=C/c2cn(C)c3ccccc23)cn1 76089981 IFJHGUKQNKNGAF-BQYQJAHWSA-N 344.396 1.430 0 40 EDAB COc1ccc2cnn(CC(=O)Nc3cccnc3)c(=O)c2c1OC 79483675 FRHJDEXUIIIVIQ-UHFFFAOYSA-N 340.339 1.447 0 40 EDAB Cc1nn(CCC(=O)NCCCN(C)C)c(C)c1Br 2781958 DHESNZAYVQMMDC-UHFFFAOYSA-N 331.258 1.720 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)NCc2ccccc2F)on1 32929837 DDOKORCJNRXHJL-UHFFFAOYSA-N 326.349 1.353 0 40 EDAB O=C(Cc1ccc(Cl)cc1)NN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 6241803 RJIZTXJEPYRSSO-WVKUQDAKSA-N 334.759 1.076 0 40 EDAB Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1 7670925 UXSTXBYIJGQCAV-UHFFFAOYSA-N 336.388 1.729 0 40 EDAB CCCCNC(=O)COc1ccc(N(CC)S(C)(=O)=O)cc1 10009949 DOJUBNUDKSVNJU-UHFFFAOYSA-N 328.434 1.768 0 40 EDAB Cc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1 10041144 RLXJKYCJHHKKMZ-AWEZNQCLSA-N 332.425 1.978 0 40 EDAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)c1ccccc1 12252243 LLKUVAQOOVPZNH-DNVCBOLYSA-N 338.363 1.950 0 40 EDAB CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2ncnc3c2cnn3C)C1 53579277 DNHLRBIQKRTYST-OLZOCXBDSA-N 330.436 1.885 0 40 EDAB C[C@H](CNC(=O)Cn1ncc(=O)c2ccccc21)Cn1cccn1 53544831 YNGFVUKMITVBRG-CYBMUJFWSA-N 325.372 1.046 0 40 EDAB Cc1ccc([C@@H](CNC(=O)CCn2cccn2)N2CCOCC2)o1 42484216 SGGMXMOUYUFDGG-OAHLLOKOSA-N 332.404 1.364 0 40 EDAB CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 23640945 FGOUJGVAKQCNEC-HNNXBMFYSA-N 349.862 1.966 0 40 EDAB Cn1cc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cn1 23880041 ISIIOLWNTOWLCC-CYBMUJFWSA-N 328.420 1.758 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20104085 MQBCFKXJKJXRAI-GFCCVEGCSA-N 346.836 1.782 0 40 EDAB C[C@@H](O)CNc1c(N2CCN(c3cccc(Cl)c3)CC2)c(=O)c1=O 101703221 KJRHPKAPBLSLEF-LLVKDONJSA-N 349.818 1.055 0 40 EDAB CCS(=O)(=O)NCCNC(=O)Cc1ccc(-c2ccccc2)cc1 24787784 NMKBZICKQAFEHH-UHFFFAOYSA-N 346.452 1.952 0 40 EDAB CS(=O)(=O)N1CC[C@@]2(CCC[C@H]2C(=O)NC2CC(F)(F)C2)C1 108529091 ZIIZKLGUBLRJKQ-AAEUAGOBSA-N 336.404 1.352 0 40 EDAB COc1ccc([C@H](CNc2ccc3nnnn3n2)N2CCCC2)cc1 24903445 FTUMQIABEKNBSP-HNNXBMFYSA-N 339.403 1.777 0 40 EDAB CCOCC(=O)N1CCC[C@@]2(CC1)CCN(Cc1ccncc1)C2=O 108533587 PPLCYQJGRFXCSG-LJQANCHMSA-N 345.443 1.849 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)C1 106766449 NONCZGMEYLLZHA-VFVRVIDISA-N 344.415 1.353 0 40 EDAB O=S(=O)(NCc1cccc(Cn2cncn2)c1)c1ccc(F)cc1 56088089 DLJQTWRZNVZRDQ-UHFFFAOYSA-N 346.387 1.944 0 40 EDAB O=C(CNc1cccc(Cl)c1Cl)N[C@H]1CCS(=O)(=O)C1 25894938 HRXZVNUSVRMOIQ-QMMMGPOBSA-N 337.228 1.709 0 40 EDAB Cc1csc(N2CCN(CC(=O)N(C)Cc3ccco3)CC2)n1 47890905 OSYMUDPSBWUZBO-UHFFFAOYSA-N 334.445 1.825 0 40 EDAB COc1cccc2cc(C(=O)N(C)C3CCN(C)CC3)c(=O)oc12 3242432 GHHDWSVHMKQTDH-UHFFFAOYSA-N 330.384 1.968 0 40 EDAB Cc1noc([C@@H](C)N2CCN([C@H](C)C(=O)NCc3ccco3)CC2)n1 69371344 OEIIIONQFVXWDN-CHWSQXEVSA-N 347.419 1.355 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H](n4cccn4)C3)nc2n1 69348547 MHQRTDXXAAEVAW-ZDUSSCGKSA-N 325.376 1.415 0 40 EDAB C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCOCC1)n1cncn1 44576563 LZLIBISCANVLTC-QWHCGFSZSA-N 335.433 1.090 0 40 EDAB COc1ccc(-c2ccc(CCC(=O)N3CCNC(=O)C3)o2)cc1 44890489 HMPMHQKNCINGHG-UHFFFAOYSA-N 328.368 1.846 0 40 EDAB O=C(CN1CCN(c2nccs2)CC1)N1CCc2ccccc21 44894356 WPJAJYLFKFFQAW-UHFFFAOYSA-N 328.441 1.854 0 40 EDAB O=C1CC2(CCN(C(=O)CCc3nc(-c4cccs4)no3)CC2)N1 58210590 NBSCPPCKCPHVJV-UHFFFAOYSA-N 346.412 1.612 0 40 EDAB CCN(CC(=O)NC(=O)NC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 58289830 UYJHGQRMIRMHOU-HOCLYGCPSA-N 332.448 1.599 0 40 EDAB COCCNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 113961440 HHIPPCQZUSJXJT-UHFFFAOYSA-N 344.433 1.004 0 40 EDAB O=C(CCNc1ncccn1)N1CCN(Cc2cccnc2)CC1 45043921 BTZIJJRUYWTVES-UHFFFAOYSA-N 326.404 1.018 0 40 EDAB CC(=O)c1c(SCC(=O)NCc2ccc(F)cc2)nc(=O)[nH]c1C 10914334 MUEQTIZIRKPJOZ-UHFFFAOYSA-N 349.387 1.829 0 40 EDAB Cc1ccc(CNC(=O)Cn2nnn(-c3ccccc3)c2=O)cc1F 11295963 IHXOKTTZLHLWRV-UHFFFAOYSA-N 341.346 1.193 0 40 EDAB CCOC(=O)Cn1c(=O)c2cc(Br)sc2n(C)c1=O 66346080 WDDXCQSAOHBSEP-UHFFFAOYSA-N 347.190 1.087 0 40 EDAB C[C@H]1CCc2sc3ncn4nc(C(=O)NCCCO)nc4c3c2C1 2442922 VVFGFXHBDFLDSD-VIFPVBQESA-N 345.428 1.576 0 40 EDAB O=S(=O)(c1cnc(Cl)c(Br)c1)N1CCOCC1 26531619 GMCDALHRUMMFFD-UHFFFAOYSA-N 341.614 1.518 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCOc2ccccc21 8346103 ZWIVCRDTEUUWFD-CYBMUJFWSA-N 343.383 1.491 0 40 EDAB Cc1ccc(CN(C)CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)c1 12998712 JPTJSBGHOHVBRJ-KRWDZBQOSA-N 338.473 1.429 0 40 EDAB COc1ccc(S(=O)(=O)n2cc(Br)cn2)cc1OC 17072206 BLRJJCOBGBPOKM-UHFFFAOYSA-N 347.190 1.900 0 40 EDAB Cc1ccccc1C1(CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1 69436997 MUKDXAOAJRGSDN-UHFFFAOYSA-N 341.411 1.461 0 40 EDAB CCn1ccnc1CN1CCN([C@@H](C)C(=O)Nc2cc(C)on2)CC1 69444464 LGUGAVYMKKXTSN-AWEZNQCLSA-N 346.435 1.344 0 40 EDAB CCC[C@H](C)N1C[C@@H](C(=O)NCc2cccc(NC(N)=O)c2)CC1=O 69460651 FRPNLFHYCYUQLC-JSGCOSHPSA-N 346.431 1.831 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O 5000078 WVWFZOXUNIYPEB-UHFFFAOYSA-N 343.770 1.992 0 40 EDAB COc1ccc2c(c1)cc(C(=O)NCC(=O)NCc1ccco1)n2C 13722811 YSNMMYUAMFLHKS-UHFFFAOYSA-N 341.367 1.826 0 40 EDAB CCn1ccnc1CN1CCN([C@@H](C)C(=O)NCc2ccco2)CC1 69510826 YGMZNGSOXDJWGL-HNNXBMFYSA-N 345.447 1.319 0 40 EDAB CC(=O)Nc1nc(C(=O)N(C)Cc2nnc3n2CCCCC3)cs1 65497927 AYOIGXVOCNWKNQ-UHFFFAOYSA-N 348.432 1.692 0 40 EDAB CCCCS(=O)(=O)N1CCN(Cc2noc(C3CC3)n2)CC1 69616082 OJVJBDGGYIOTOS-UHFFFAOYSA-N 328.438 1.195 0 40 EDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCCC1=CCCCC1 69776821 GOPJDFIAZNLQKC-QGZVFWFLSA-N 331.464 1.997 0 40 EDAB CN(CCN1CCCC1=O)[C@H]1CCN(c2ccccc2Cl)C1=O 69701403 QXOSGODZGPMFOH-HNNXBMFYSA-N 335.835 2.000 0 40 EDAB CC[C@@H](C)N(C)CCNC(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1 66125058 QFYGWLSIFUNDLJ-GFCCVEGCSA-N 346.431 1.170 0 40 EDAB C[C@@H](SCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1F 69813285 HGHMKXOPDDMDMF-MNOVXSKESA-N 331.434 1.923 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)Nc2c(C)c(C)nn2C)c1C 66737644 SWUFMKYFFNPHRX-UHFFFAOYSA-N 337.401 1.933 0 40 EDAB CCOC(=O)/C=C/C(=O)OCC(=O)c1ccc(NC(C)=O)cc1F 7170268 VEOZKBYLCOZXOO-VOTSOKGWSA-N 337.303 1.629 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CCCO2)cc1 68113098 GRQVDWWOMVVWKO-KBPBESRZSA-N 336.413 1.714 0 40 EDAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 92760258 VNGSFSRGXFDAQC-VXGBXAGGSA-N 326.422 1.060 0 40 EDAB Cc1nc2ncnn2c(O)c1NS(=O)(=O)c1ccc(Cl)s1 8994322 FTYUQJDLVSSCOQ-UHFFFAOYSA-N 345.793 1.654 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1CC(=O)N(C)C 68546833 QQDBEHWWTJQKJU-OLZOCXBDSA-N 348.447 1.742 0 40 EDAB COCCNC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 16344013 ZATLTFDCEOPFLC-OAHLLOKOSA-N 334.416 1.747 0 40 EDAB Cc1cccc(OCCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 9155167 ROGSVFLWJUBFCV-UHFFFAOYSA-N 345.399 1.355 0 40 EDAB Cn1ccnc1[C@@H](Nc1ncnc2c1cnn2CCO)c1ccccc1 97199673 AJCLKWBYHTYZQX-HNNXBMFYSA-N 349.398 1.754 0 40 EDAB CN(CC(=O)Nc1nccs1)Cc1nc2ccsc2c(=O)[nH]1 97161872 HGRYCRUGNLRSPO-UHFFFAOYSA-N 335.414 1.512 0 40 EDAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccco2)C1=O 409237265 JDWUKZBWIKTUBA-UKTHLTGXSA-N 341.323 1.820 0 40 EDAB CS(=O)(=O)CCNC(=O)N(Cc1ccc(F)cc1)CC1CC1 96406832 JPAJMGPTALJTSC-UHFFFAOYSA-N 328.409 1.792 0 40 EDAB CC(C)(C)c1csc(CCNC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 71856420 BBEDUJVHUZUQKX-NSHDSACASA-N 344.502 1.924 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCCC(=O)N1CCc3ccccc31)CC2 71879328 KEFAFCFYPMXGOF-HNNXBMFYSA-N 325.416 1.470 0 40 EDAB COc1ccc(-c2nc(C(=O)NCCc3nncn3C)cs2)cc1 71847189 YOHULFIPLKKTGD-UHFFFAOYSA-N 343.412 1.920 0 40 EDAB O=C(Cc1cn2ccccc2n1)N1CCCN(c2cccnn2)CC1 71860335 VDCRRAMGXLUZJQ-UHFFFAOYSA-N 336.399 1.406 0 40 EDAB CSc1ccc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)cn1 83992946 WEBVNXDBTKWTHY-UHFFFAOYSA-N 348.413 1.580 0 40 EDAB CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1n[nH]c(=O)[nH]1 84407082 YTXIYSXPPDOPKN-SECBINFHSA-N 328.294 1.868 0 40 EDAB COc1ccc(Cl)cc1CCNC(=O)N1CCC(C(N)=O)CC1 95395825 NOOGHJSGRFBNMX-UHFFFAOYSA-N 339.823 1.798 0 40 EDAB O=S(=O)(CC[C@@H]1CCCO1)N1CC[C@H](Oc2cccnc2)C1 97015775 NRAZRRWVPOQOMZ-ZFWWWQNUSA-N 326.418 1.434 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72268964 HQGYRBIQNKCMDH-SJORKVTESA-N 326.400 1.301 0 40 EDAB c1ccc(Cn2ccnc2CN2CCO[C@@H](Cn3cncn3)C2)cc1 72253380 IMNYBSCVOPSQPE-QGZVFWFLSA-N 338.415 1.424 0 40 EDAB C[C@@H](Cc1cccs1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 72295589 NMGFFHMEAIRIAS-NSHDSACASA-N 338.454 1.891 0 40 EDAB COc1cccc(CNC(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)c1 72295244 QSJKKLVLIVEAPU-QGZVFWFLSA-N 347.436 1.967 0 40 EDAB Cc1ccccc1CCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 84695319 LZBKPZGANLADOZ-MSOLQXFVSA-N 336.501 1.779 0 40 EDAB CC[C@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1N1CCOCC1 84735806 AMVASXUAGQUWSM-DLBZAZTESA-N 334.464 1.541 0 40 EDAB Cc1cnn(CCCNC(=O)N2CCc3ccccc3[C@H]2CO)c1 95417119 SQPBCHLWQJRLCM-QGZVFWFLSA-N 328.416 1.883 0 40 EDAB CCn1cc(CN2CCn3cc(CC(=O)NC4CC4)nc3[C@@H]2C)cn1 306138532 RZXDPLMPCOQTAL-ZDUSSCGKSA-N 342.447 1.497 0 40 EDAB COc1ccccc1CNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 95947592 CMKPATLRJUXTAO-GASCZTMLSA-N 344.411 1.877 0 40 EDAB Nc1nccnc1C(=O)N[C@H]1CCc2nnc(-c3ccccc3)n2C1 95998174 UUGYCZMZLXCDKG-LBPRGKRZSA-N 335.371 1.062 0 40 EDAB CCN1C(=O)N[C@](C)([C@H]2CCCN(Cc3noc(C4CC4)n3)C2)C1=O 95961677 DLLPZTPTKXTWCS-YVEFUNNKSA-N 347.419 1.489 0 40 EDAB C[C@H]1C[C@@H](NC(=O)N(C)Cc2cnn(C)c2)C(=O)N1c1ccccc1 74780182 MTEKKSPVGKXROP-XJKSGUPXSA-N 341.415 1.756 0 40 EDAB O=C(Cn1nnnc1Cc1ccccn1)N1CCC[C@H]2CCCC[C@H]21 75109700 AAFDYVYVYACZGA-GDBMZVCRSA-N 340.431 1.840 0 40 EDAB CN(C)c1cc(CNC(=O)Cn2ccccc2=O)c2ccccc2n1 75386337 LASZGHAEKRDSKS-UHFFFAOYSA-N 336.395 1.779 0 40 EDAB COc1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc(OC)c1C 75606484 IVQGWIKNSIMKSM-HOTGVXAUSA-N 348.443 1.683 0 40 EDAB COC[C@@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 408616915 DCPFUPOVGOADTM-CYBMUJFWSA-N 328.434 1.221 0 40 EDAB Cc1ncn(-c2ccc(NC(=O)[C@H]3CN4CCN3C[C@@H]4C)cc2)c1C 1548707644 HGJRYXIAOHBCDR-SCLBCKFNSA-N 339.443 1.816 0 40 EDAB Cc1nc(C(=O)N2CCOC[C@]3(CC[C@H](CN(C)C)O3)C2)cs1 306136666 PZMHSZPHHXRCSC-CJNGLKHVSA-N 339.461 1.403 0 40 EDAB CCn1ccnc1CN1CCN(Cc2ccccc2)[C@H](CCO)C1 39519072 JGOPTTKSPHLEDD-GOSISDBHSA-N 328.460 1.972 0 40 EDAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NC[C@@H]1CCCO1 38756209 JOUQGUAMUCFJJM-QWRGUYRKSA-N 335.429 1.064 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nnc(-c2ccnn2C)o1 38488068 FNCRWRQRLLOFCK-NOZJJQNGSA-N 341.327 1.637 0 40 EDAB CC(C)c1ncc(S(=O)(=O)N2CCc3occc3[C@@H]2C(=O)O)[nH]1 530141694 JNJFDEQPIAOGLA-GFCCVEGCSA-N 339.373 1.499 0 40 EDAB CCN(C(=O)c1cc(Cl)c(Cl)n1C)[C@@H]1CCN(CCO)C1 1033848648 RVDXYNLGRWMPEB-SNVBAGLBSA-N 334.247 1.861 0 40 EDAB O=C([C@H]1NCc2ncncc21)N1CCCN(Cc2ccccc2)CC1 1553350051 TWXOBFBFONSUAT-SFHVURJKSA-N 337.427 1.355 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@]1(COC)C(N)=S 218580698 VMVORXNUJKQNGT-SGMGOOAPSA-N 331.434 1.645 0 40 EDAB CCN(CC)CCNC(=O)C(=O)Nc1cccc2c(O)cccc12 36357736 OMLVUWSTQOHDMN-UHFFFAOYSA-N 329.400 1.942 0 40 EDAB O=C(O)C[C@@H](NS(=O)(=O)c1csc2ccccc12)C(=O)O 556773113 GLCQQEMVDRTOOD-MRVPVSSYSA-N 329.355 1.108 0 40 EDAB Cc1cccc(O[C@H]2COCCN(C(=O)c3cc(C)nn3C)C2)n1 77265543 LHLLWUXSERGLPV-CQSZACIVSA-N 330.388 1.352 0 40 EDAB biogenic,in-vitro Cc1nc(NC(=O)[C@H](c2ccc(F)cc2)N2CCOCC2)nn1C 36752547 JOCKOSVPQKFPEI-AWEZNQCLSA-N 333.367 1.275 0 40 EDAB Cc1cc(C(=O)NCCn2nc(-c3ccccn3)n(C)c2=O)c(C)o1 38926422 DHYCAOYPCJVKHB-UHFFFAOYSA-N 341.371 1.284 0 40 EDAB COc1cc([C@H]2SCC(=O)Nc3[nH]ncc32)c(OC)c2c1OCO2 35324642 LOEFBSZILBCOPX-CQSZACIVSA-N 349.368 1.930 0 40 EDAB Cc1nc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc2nncn12 560831743 XANHEHFGPMMVBG-RHSMWYFYSA-N 327.363 1.737 0 40 EDAB CCc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(CCOC)C1 78602773 AFFHWXDYXSLBSI-HNNXBMFYSA-N 333.432 1.415 0 40 EDAB CN1C[C@@H](N2C(=O)CCC2=O)C[C@H]1c1nc(-c2cccnc2)no1 77261633 ZMYAMTIFVXLACN-RYUDHWBXSA-N 327.344 1.026 0 40 EDAB biogenic,in-vitro CCCNC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 223352032 MHUUICBOZPWLEP-UHFFFAOYSA-N 328.434 1.404 0 40 EDAB Nc1ncc(Cl)cc1S(=O)(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21 566844601 AVINOWUDNHMYKP-MNOVXSKESA-N 343.836 1.507 0 40 EDAB CSc1nc(C)cc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)n1 226746894 OBMPNCBTSOYZSI-LLVKDONJSA-N 334.445 1.638 0 40 EDAB Cn1nnn(-c2ccc(NC(=O)c3ccc(Cl)s3)cc2)c1=O 75163154 ANJNIXPBKLOYEI-UHFFFAOYSA-N 335.776 1.933 0 40 EDAB Cc1ccc(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)cn1 225784568 FTPGURIXOZQZAF-UHFFFAOYSA-N 338.342 1.736 0 40 EDAB CCCCc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN(C)C)c2=O)cc1 222675639 SAUVZPPFUQDUBK-UHFFFAOYSA-N 345.399 1.628 0 40 EDAB COC(=O)C[C@H](NC(=O)c1cc(Br)cn1C)C1CC1 84823118 BSSKYSHGFJAPHR-JTQLQIEISA-N 329.194 1.859 0 40 EDAB C[C@H]1CN(Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)C(C)(C)CO1 230468573 ZEZLUIRVXKAFTK-XJKSGUPXSA-N 341.477 1.416 0 40 EDAB CN(C)CC(=O)N1CCC2(CCOC[C@H]2COc2ccccn2)CC1 96217742 YRWXBLBQFYEWNO-INIZCTEOSA-N 347.459 1.667 0 40 EDAB Cc1cc(CN2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@H]3C2)no1 96041047 VHXXGJZLXKRWSE-JQFCIGGWSA-N 342.399 1.996 0 40 EDAB CN1CCN(c2ncnc3c2CCN(Cc2ccncc2)CC3)CC1 96255681 BJCWWTOCVUDJOV-UHFFFAOYSA-N 338.459 1.224 0 40 EDAB CN(C)C(=O)c1cccc(CCNC(=O)c2ccnc(N(C)C)c2)c1 96423138 UKNLTPQENUTOJS-UHFFFAOYSA-N 340.427 1.822 0 40 EDAB CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cccc2c1OCCO2 96041989 FUIGEQRRGZGMSU-JLJPHGGASA-N 333.384 1.866 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@@H]3C[C@@H](C(=O)NC4CCC4)C[C@H]32)cn1 96251682 GTYJJDCYZBSSLT-USXIJHARSA-N 343.427 1.678 0 40 EDAB Cc1cccc(CN2CCCn3c(nnc3CN3CCCC3=O)C2)n1 96259629 IEXGMYYYNMCSTK-UHFFFAOYSA-N 340.431 1.510 0 40 EDAB CC(C)[C@H](NC(=O)[C@@H](C)Oc1cccc(Br)c1)C(N)=O 96425125 WVJKVYVUWARYNQ-SKDRFNHKSA-N 343.221 1.843 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)Nc2cccc(COCC3CC3)c2)C1 96413382 RBODARUCRFBEGP-GOSISDBHSA-N 346.475 1.981 0 40 EDAB CSc1ccc([C@H](O)CNS(=O)(=O)c2cnn(C)c2)cc1 96103239 NVCQIYWFTFXCNJ-CYBMUJFWSA-N 327.431 1.154 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CN2CCS(=O)(=O)[C@@H]3COCC[C@H]32)o1 579807241 UQVJTXLKLCASFT-UZMCECQYSA-N 325.430 1.791 0 40 EDAB Cc1noc([C@@]23CCO[C@@H]2CCN(S(=O)(=O)c2ccccc2)C3)n1 96038738 QSRMUYCEFBADKZ-GDBMZVCRSA-N 349.412 1.499 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225820 WKAQEUJBHFKQTF-IAISJRAMSA-N 342.399 1.101 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)CN1CCN(c2ccccn2)CC1 96436332 ADZUDOZEOODZEB-AWEZNQCLSA-N 342.447 1.123 0 40 EDAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21 96064409 HKNXDOOYKXZEQV-ILXRZTDVSA-N 343.387 1.023 0 40 EDAB CNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)N(C)Cc1cccnc1 96112962 STIKFSFZKZYWGO-DLBZAZTESA-N 346.475 1.665 0 40 EDAB biogenic,in-vitro CCc1ccc(NC(=O)C(=O)NC[C@H](c2cnn(C)c2)N(C)C)cc1 96410771 SVNCUIIWSYMQDO-MRXNPFEDSA-N 343.431 1.340 0 40 EDAB O=C(CC1CCCC1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 96188670 AWLOQCMQSKATLX-OAHLLOKOSA-N 328.420 1.714 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(N)CO 242614918 PLZZNICIVUHIIE-QJPTWQEYSA-N 334.235 1.039 0 40 EDAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(N)CO)cc1 242648735 RFIBODUCCUMGBI-SQNIBIBYSA-N 331.437 1.879 0 40 EDAB Cc1ncc(C(=O)NCc2ccccn2)c(CC2CCNCC2)n1 257234074 GRYIDIRVYVZFTD-UHFFFAOYSA-N 325.416 1.652 0 40 EDAB CCN(c1ccc(O)cc1)S(=O)(=O)c1cncc(C(=O)OC)c1 252497370 QFANVZWVWKJUCU-UHFFFAOYSA-N 336.369 1.789 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)c1 257301251 RXRGGOBNTVEXNK-GFCCVEGCSA-N 346.416 1.260 0 40 EDAB O=C(CC1(O)CCCCC1)N1CCOC[C@H]1CCc1cnccn1 257315944 VDKMSMLGICGGTB-MRXNPFEDSA-N 333.432 1.722 0 40 EDAB CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1sc2nnc(S)n2c1C 585089375 HZZRRFKBFCLKRQ-RNFRBKRXSA-N 342.446 1.705 0 40 EDAB O=C(Nc1[nH]nnc1C(=O)N1CCCC1)N[C@H]1CC12CCCCC2 585119481 ISJNZPUFNCHTCE-NSHDSACASA-N 332.408 1.885 0 40 EDAB C[C@@]1(c2ncc(CNS(=O)(=O)c3cn[nH]c3)cn2)CCCCO1 257236679 HDEQKDJRRKBRJF-AWEZNQCLSA-N 337.405 1.094 0 40 EDAB OCCOc1cccc(CN2CCO[C@H](CCc3ccncn3)C2)c1 257286917 PNQGXTLNHRCINW-LJQANCHMSA-N 343.427 1.681 0 40 EDAB CS(=O)(=O)CCN1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 252488361 IQISRXSLPGMCSK-CYBMUJFWSA-N 335.372 1.706 0 40 EDAB CCc1cc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)on1 257223372 DXAWFXBALFKPTA-KRWDZBQOSA-N 330.388 1.393 0 40 EDAB CC[C@@H](C(N)=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 601761649 STKHFHVPRLMAGJ-GJZGRUSLSA-N 325.840 1.255 0 40 EDAB O=C(c1ccccc1)N1CCC2(CC1)CO[C@H](CN1CC[C@@H](O)C1)C2 585103121 DJOFRACYYHXCQL-MSOLQXFVSA-N 344.455 1.765 0 40 EDAB Cc1ncc(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)c(O)n1 585276071 JCBHBIRCVOGXFL-KRWDZBQOSA-N 329.356 1.147 0 40 EDAB Cn1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)C3CCC3)C2)cn1 585112064 IBAUHRQTXRWXHM-INIZCTEOSA-N 342.447 1.480 0 40 EDAB CCCc1noc([C@H](C)N2CCC(NC(=O)c3cnn(C)c3)CC2)n1 44950307 VHQZUEYUYWLKLH-LBPRGKRZSA-N 346.435 1.711 0 40 EDAB C[C@H](O)CN1CCC(CN(C)[C@H](C)C(=O)Nc2nccs2)CC1 106781265 UQRJBIDZBLAEKG-QWHCGFSZSA-N 340.493 1.495 0 40 EDAB O=S(=O)(NCC1(OCCO)CCCC1)c1c(F)cccc1F 888107186 WQCBYDKXFQXIGC-UHFFFAOYSA-N 335.372 1.565 0 40 EDAB O=C(NCCc1cccc(F)c1)N1CC[C@H](c2cc(O)nc(O)n2)C1 1615055430 MYYXAMLGJQWOFU-LBPRGKRZSA-N 346.362 1.769 0 40 EDAB CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCSCC1 12602632 OBOZDKUHOSJXEH-HRCADAONSA-N 340.537 1.453 0 40 EDAB biogenic,in-vitro C[C@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 12978535 YRNFHOMDIZCECI-NSHDSACASA-N 348.380 1.518 0 40 EDAB C/C(NC[C@H]1CCCO1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 5625998 IBWNRWSQAOQOBO-FQZGENGWSA-N 343.383 1.620 0 40 EDAB CNC(=O)NC(=O)COC(=O)c1csc(NCCC(C)C)n1 9515057 OOWWUNHMCRNGNS-UHFFFAOYSA-N 328.394 1.214 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)CC5CC5)C[C@H]4C3)n1)CCC2 1888857077 HJIYXYNBTLVWLK-GASCZTMLSA-N 326.444 1.968 0 40 EDAB CSc1nccc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 1888901042 PEMWRLBAEXFZMC-UHFFFAOYSA-N 328.405 1.191 0 40 EDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)c5ccccc5)C[C@H]4C3)ncnc21 1888906641 XIDJMXVSDANCOR-HUUCEWRRSA-N 348.410 1.572 0 40 EDAB CSc1nc(C)cc(N2CCO[C@H](C(=O)N3CCCCC3)C2)n1 1889102978 YVXVEQQMNSMKMA-ZDUSSCGKSA-N 336.461 1.725 0 40 EDAB CCc1ncnc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)c1F 1889104369 CRHSCYFUSJJNMW-SNVBAGLBSA-N 328.413 1.229 0 40 EDAB Cc1csc(=O)n1CC(=O)NCCCn1cnc2ccccc21 15833950 YLGZEYVGLHQRJR-UHFFFAOYSA-N 330.413 1.774 0 40 EDAB O=C(NCc1ccc(-n2ccnc2)nc1)c1cn(-c2ccccc2)nn1 33044599 KBDSDVJCDHGRKP-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB O=C1NC(=O)C2(CCN(Cc3ccccc3Br)CC2)N1 263981921 QLNONGCBEPBUJU-UHFFFAOYSA-N 338.205 1.623 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCO[C@@]2(CCCCN(C(C)C)C2=O)C1 2037984507 CUDYZNRQRICEOX-SFHVURJKSA-N 348.447 1.361 0 40 EDAB CCCc1cc(O)nc2nnc(SCC(=O)Nc3cc(C)on3)n12 4250236 VMWIJKABMKJBPZ-UHFFFAOYSA-N 348.388 1.810 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1OC 9572763 RIJLFTUHADSAGP-UHFFFAOYSA-N 348.380 1.999 0 40 EDAB COC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccc(C)cc1 26455747 PBGYLALCDWQADU-MRXNPFEDSA-N 329.400 1.872 0 40 EDAB COc1nc(OC)nc(N2CCc3cc(OC)c(OC)cc3C2)n1 1889133900 IIPRZPSEVFBRDI-UHFFFAOYSA-N 332.360 1.469 0 40 EDAB Cc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1F 30583780 RRSZYEQMHKWFIF-ZDUSSCGKSA-N 328.409 1.678 0 40 EDAB Cc1ccc(C(=O)NC2CCN(C(=O)c3cnns3)CC2)s1 50475387 IPEXVZREAVFMCV-UHFFFAOYSA-N 336.442 1.943 0 40 EDAB c1cnc(-c2nc(CN3CCN(C[C@H]4CCCO4)CC3)cs2)nc1 40555412 DYYRARBIKSNBGA-OAHLLOKOSA-N 345.472 1.897 0 40 EDAB COc1cccc(C(=O)NCCCN(C(C)C)S(C)(=O)=O)c1 40535285 STUQTBNNISSMFY-UHFFFAOYSA-N 328.434 1.485 0 40 EDAB CCCc1c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cnn1C 40556156 LWLXUSIEWQCZBC-UHFFFAOYSA-N 326.356 1.966 0 40 EDAB CCn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(N)=O 101160919 DMISWFWEBRMUQK-UHFFFAOYSA-N 348.428 1.628 0 40 EDAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)s1)C(=O)O 264957 DIFCADKEDMZWJM-MRVPVSSYSA-N 342.236 1.898 0 40 EDAB O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@H](N2CC=CC2)C1 102090151 ZTCCJTTUUFMKIU-NSHDSACASA-N 347.362 1.735 0 40 EDAB CCCCNc1nnc(S[C@H](C)C(=O)N2CCNC2=O)s1 32774432 IFDGIVFATUMMDE-MRVPVSSYSA-N 329.451 1.783 0 40 EDAB O=C1NCc2ccc(NC(=O)[C@@H]3CCCN3c3nccs3)cc21 69923619 QGNWRIQWBFMMEI-ZDUSSCGKSA-N 328.397 1.994 0 40 EDAB CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4OC)C(=O)[C@H]13)O2 207883 RLIPVWRVUCZGPJ-LDDOYCOJSA-N 329.352 1.545 0 40 EDAB biogenic COCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccncc1 2625118 LCBATBCOWRCBRC-UHFFFAOYSA-N 349.460 1.993 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccncc1)n2CCOC 2618423 VYIKBIBGZDPIAF-UHFFFAOYSA-N 343.387 1.395 0 40 EDAB CCCCn1c(N)c(N(C)Cc2ncc(C(C)(C)C)o2)c(=O)[nH]c1=O 46503910 DGADZDATBRKBGO-UHFFFAOYSA-N 349.435 1.841 0 40 EDAB C[C@@H]1CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C[C@@H]1N(C)C 76056028 XPRWTYXRDYXSNV-OSAQELSMSA-N 333.457 1.898 0 40 EDAB CCCn1nc2c(cc1=O)CN(Cc1nc(-c3ccoc3)no1)CC2 76064632 WUMDGYKQYQNSPN-UHFFFAOYSA-N 341.371 1.855 0 40 EDAB Cc1ccc2nc(CN3CCO[C@@H](c4nc(C)n[nH]4)C3)cc(=O)n2c1 76049104 IMAIIVMQNHXHGI-CQSZACIVSA-N 340.387 1.003 0 40 EDAB CC(C)S(=O)(=O)NC[C@@H]1CCCN(CCN2CCCCC2)C1 77273917 YSNGWCFZQFKNHF-INIZCTEOSA-N 331.526 1.512 0 40 EDAB CC(C)c1nc([C@H]2CCCN2C(=O)C[C@@H]2CCS(=O)(=O)C2)no1 78881265 CTKSRVNIFHLZPS-NWDGAFQWSA-N 341.433 1.681 0 40 EDAB O=C([C@@H]1COCCO1)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 78901729 KAGZXVFHRSZBMF-ONGXEEELSA-N 333.310 1.550 0 40 EDAB C[C@@](O)(CNC(=O)NCC[S@@](=O)c1ccccc1)c1ccco1 78942111 YKEQSSJOEPZLRK-MWTRTKDXSA-N 336.413 1.594 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cn[nH]c3)CC2)cc1 32933524 JCACDXFULAIKOU-UHFFFAOYSA-N 348.428 1.301 0 40 EDAB C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(N)=O 4288292 ZFKZLIFJTSJXSE-SSDOTTSWSA-N 340.788 1.702 0 40 EDAB Cc1ccc(N2CCC[C@@H](N(C)CCCS(C)(=O)=O)C2)nn1 72276694 PMUWUZIBMYKCOL-CQSZACIVSA-N 326.466 1.120 0 40 EDAB CC[C@@H](C)NC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C 6800282 ZCJQVVMFERGREN-GFCCVEGCSA-N 335.429 1.773 0 40 EDAB CCNC(=S)N/N=C\c1cccc(OCC)c1OCC(=O)O 6954148 GHWTZWRRVQKXRU-PXNMLYILSA-N 325.390 1.367 0 40 EDAB CN(CC(=O)N1CCCN(Cc2cccs2)CC1)c1cnccn1 41363385 CRXPMFZGDUEHON-UHFFFAOYSA-N 345.472 1.709 0 40 EDAB O=C(NC1CCN(C[C@H](O)c2ccc3c(c2)OCCO3)CC1)C1CC1 52827948 LVXOJUFCKITJEI-INIZCTEOSA-N 346.427 1.482 0 40 EDAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1nnn(C)n1 527137 SADYWMDITWOFLC-UHFFFAOYSA-N 342.384 1.499 0 40 EDAB CCS(=O)(=O)CC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 53459515 HXVMVXMWXBNDIY-UHFFFAOYSA-N 341.820 1.958 0 40 EDAB O=C(CNC(=O)C1CCCC1)Nc1cccc(CN2CCOC2=O)c1 53521167 ZXNDQMYXJJLGGX-UHFFFAOYSA-N 345.399 1.884 0 40 EDAB COC(=O)C[C@H]1CN=C(Nc2nc(C)c3cccc(C)c3n2)NC1=O 22607738 GUUJVVNMHLIPNL-NSHDSACASA-N 341.371 1.324 0 40 EDAB Cc1cc(NC2CCN(C(=O)c3ccoc3)CC2)n2ncnc2n1 24207030 HMICYVQDXFUMKN-UHFFFAOYSA-N 326.360 1.742 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)Nc1cccnc1N1CCOCC1 56163824 FBKDSVJKNZKCBL-UHFFFAOYSA-N 341.367 1.828 0 40 EDAB O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1cccc2ccccc12 110671755 MUVDORRQQRLPQP-HOTGVXAUSA-N 346.452 1.981 0 40 EDAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 57355495 ACLOHSLJPPSPPC-SJLPKXTDSA-N 329.444 1.760 0 40 EDAB Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 27756928 BJAXPLJSURAUSI-UHFFFAOYSA-N 332.385 1.381 0 40 EDAB CC[C@H](CNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 58160969 YVPZAIONENZLIO-GDBMZVCRSA-N 338.473 1.415 0 40 EDAB O=C(O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 3263559 HRNCHBDCEHBSHD-UHFFFAOYSA-N 335.337 1.957 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccc(O)cc2)CC1)C1CCCC1 48076195 JEBRNSUUSPRWSR-UHFFFAOYSA-N 345.443 1.737 0 40 EDAB Cc1noc(C)c1CC(=O)NCCS(=O)(=O)Cc1ccccc1 44977694 IDRHAGZORPGMNH-UHFFFAOYSA-N 336.413 1.565 0 40 EDAB CC(=O)NCC1CCN(C(=O)c2cnn(-c3ccccc3F)c2)CC1 58392336 ZOVCGHBNUQLUMG-UHFFFAOYSA-N 344.390 2.000 0 40 EDAB CS(=O)(=O)CCCNC(=O)/C=C/c1ccccc1OC(F)F 58341146 UHDGYWHQYYBUCM-BQYQJAHWSA-N 333.356 1.852 0 40 EDAB CCn1cnnc1CNC(=O)c1nc(N2CCCC2)ncc1Cl 48234619 XMNRBNMVADKKPK-UHFFFAOYSA-N 335.799 1.272 0 40 EDAB CCO[C@@H](C)C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 58405127 DXEULFKWJZTOEQ-LBPRGKRZSA-N 330.388 1.272 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)CCN1C(=O)COc2ccccc21 48262868 URZQPGNYZIDJNR-CQSZACIVSA-N 332.400 1.687 0 40 EDAB C[C@H]1CCCN(Cc2csc(NC(=O)[C@@H]3CCC(=O)NC3)n2)C1 48276150 WDQQZAGCHADAOG-NWDGAFQWSA-N 336.461 1.840 0 40 EDAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCC2CC2)n1 36357677 PDAXYRGBGZIYQF-UHFFFAOYSA-N 330.344 1.747 0 40 EDAB C[C@H]1CN(C(=O)CN(C)Cc2cc(F)cc3c2OCOC3)CCO1 36392083 OUZMXKLJSPGJJO-LBPRGKRZSA-N 338.379 1.371 0 40 EDAB Cc1csc([C@@]2(O)C(=O)N(Cc3ccccc3)C[C@H]2C(=O)O)n1 36379767 URQDNBNFAAJOQU-BLLLJJGKSA-N 332.381 1.382 0 40 EDAB in-vitro O=C1CN(C(=O)NCCC(=O)NC2CCCCC2)c2ccccc2N1 8739714 OOJREYRHWRTUMI-UHFFFAOYSA-N 344.415 1.994 0 40 EDAB Cn1cc(C(=O)NC2CCN(C(=O)c3ccc(F)cc3F)CC2)cn1 48341388 GDYFFYHBGZFQIP-UHFFFAOYSA-N 348.353 1.733 0 40 EDAB CC(C)(C)n1cc(CNCCCCN2CCC(C(N)=O)CC2)cn1 48711750 FGLOQLGQOXWVTF-UHFFFAOYSA-N 335.496 1.705 0 40 EDAB CCc1ccc(O)c(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)[nH]n2)c1 13121755 MWBYLBNDPRSIIZ-LLVKDONJSA-N 349.412 1.262 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3ccc4c(c3)COC4)CC2)n1 64489915 IDVQNBBYRPFIDO-UHFFFAOYSA-N 340.383 1.478 0 40 EDAB COc1cccc([C@@H](CNC(=O)Cn2cccn2)N2CCCC2)c1 65399532 YSTBJIXQMHUJIR-QGZVFWFLSA-N 328.416 1.845 0 40 EDAB O=C(COCC(=O)N1CCN(c2ccccc2)CC1)N1CCCCC1 13945653 WPMQTIIXNZEGAH-UHFFFAOYSA-N 345.443 1.364 0 40 EDAB O=C(Cn1nc(-c2ccccc2)oc1=O)OCC(=O)c1ccccc1 5240961 CHJDUGJQEGNSPN-UHFFFAOYSA-N 338.319 1.929 0 40 EDAB Cc1cc(CN2CCN(S(=O)(=O)N3CCC[C@@H](C)C3)CC2)no1 65449801 RTRCFXIEYGTPAM-CYBMUJFWSA-N 342.465 1.077 0 40 EDAB COc1ccccc1CC(=O)N1CSC[C@H]1C(=O)NCC1CC1 71185395 MZOJDVLHNGUROO-AWEZNQCLSA-N 334.441 1.665 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)NCCc1nnc2ccccn12 5451359 UPUXHVWBBWTCOU-UHFFFAOYSA-N 338.367 1.750 0 40 EDAB Cc1c(-n2nnnc2SC(C)C)c(=O)n(-c2ccccc2)n1C 9114356 XJCGLTGVRJHUFX-UHFFFAOYSA-N 330.417 1.961 0 40 EDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2c(c1)OCO2 6879510 BOSJHEJYARNUCV-UHFFFAOYSA-N 345.355 1.609 0 40 EDAB Cc1ccccc1C(=O)NCC(=O)Nc1ccc(-n2ccnn2)cc1 97096015 DZRZMAYYNHHISL-UHFFFAOYSA-N 335.367 1.944 0 40 EDAB COC(=O)CCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 4965821 WVXIXRCPWDDFHS-UHFFFAOYSA-N 328.390 1.137 0 40 EDAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)NC1CCCCC1 15373846 UXJGJXHNQQIUSE-UHFFFAOYSA-N 335.429 1.889 0 40 EDAB CN1CCN(C[C@H]2CCCN(C(=O)c3cc(F)ccc3O)C2)CC1 80027896 NKIZQHCERCJWKY-CQSZACIVSA-N 335.423 1.631 0 40 EDAB Nc1c(C(=O)NCC2CC2)nsc1C(=O)NCc1cccnc1 67335043 GBNISQKXDIASDJ-UHFFFAOYSA-N 331.401 1.190 0 40 EDAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)c3ccccc3C2=O)c1 7137171 UNVHCIRWTCRUNF-CQSZACIVSA-N 339.347 1.925 0 40 EDAB NS(=O)(=O)CC1CCN(c2ccnc(Cc3ccccc3)n2)CC1 97049914 UKSXWEMXQDKNRV-UHFFFAOYSA-N 346.456 1.572 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)no1 67887397 JRMOHUYGFXEWTB-NEPJUHHUSA-N 332.404 1.349 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1nc(SC)n2ccccc12 67806021 WQPDKUUNMKIMBC-LLVKDONJSA-N 334.445 1.947 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cn1 178675831 OWUCEVOKPVZDFV-GFCCVEGCSA-N 349.334 1.149 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1n[nH]c2nc(C)cc(C)c12 9421414 DQQXCPNAHDOWRA-GFCCVEGCSA-N 344.419 1.114 0 40 EDAB CC(C)N1C(=O)C(=O)N(CC(=O)N2CCSc3ccccc32)C1=O 9450779 ITKVTYPFKDNRRU-UHFFFAOYSA-N 347.396 1.325 0 40 EDAB Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CCS(=O)(=O)CC1 96404096 YUDYOVXMTILBOZ-AWEZNQCLSA-N 340.445 1.511 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCC[C@H](C(=O)Nc2nccs2)C1 69599558 RJXPLZHJJPDQOP-OLZOCXBDSA-N 336.461 1.805 0 40 EDAB C[C@@H](NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)NC(C)(C)C 69588606 KVUIHJQSKQELKM-SSDOTTSWSA-N 348.325 1.818 0 40 EDAB Cn1c(=O)cc(C(=O)N2CCN(CC(C)(C)O)CC2)c2ccccc21 69598499 VDGDHKIAJURADE-UHFFFAOYSA-N 343.427 1.067 0 40 EDAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCc2ccncc2)C[C@@H](C)O1 69696796 OYIQDWRHPHXCKW-INMHGKMJSA-N 332.448 1.865 0 40 EDAB COC(=O)c1cccc(CS(=O)(=O)NCc2nc(C)cs2)c1 69659522 QWZNZLPPCIQXPY-UHFFFAOYSA-N 340.426 1.858 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)NCCc1ccsc1 69737480 DMIYSKGKGOHPMV-IAGOWNOFSA-N 349.500 1.882 0 40 EDAB CCN(CCO)C(=S)Nc1cc(C(=O)OC)ccc1C(=O)OC 8682578 SPOPRSWACOHEJV-UHFFFAOYSA-N 340.401 1.271 0 40 EDAB NC(=O)CN1CCCN(C(=O)CCSc2ccc(F)cc2)CC1 69871142 ARUUXTIEEIUNND-UHFFFAOYSA-N 339.436 1.328 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cncn2-c2ccccc2)CC1 71881059 SOAQXDFPYZDZNR-MRXNPFEDSA-N 328.416 1.401 0 40 EDAB NC(=O)[C@H]1CCCN1c1cc(NCCOc2ccccc2)ncn1 71859431 LPFSXWBXFAVBHA-CQSZACIVSA-N 327.388 1.422 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCN(c2ccncc2)CC1 71846886 NFNDCKSQVHHIGM-UHFFFAOYSA-N 339.321 1.646 0 40 EDAB CN1CCO[C@H](CNCC(=O)NCC2(c3ccccc3)CCC2)C1 72267896 IIQZTDVXHZSWBL-QGZVFWFLSA-N 331.460 1.145 0 40 EDAB Cc1ccc(F)cc1NC(=O)N(C)C[C@H](O)CN1CCN(C)CC1 71922273 BPUKLYQGDGZFLS-HNNXBMFYSA-N 338.427 1.206 0 40 EDAB CN1CCN(CC(=O)N2CCc3cc(Br)ccc32)CC1 23363385 DABFBJJVNNZTPZ-UHFFFAOYSA-N 338.249 1.586 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CC1 97271394 ZNPIELZMAQLKSB-JKSUJKDBSA-N 331.416 1.155 0 40 EDAB O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1C[C@H]2CCC[C@H]2C1 97227596 JSMAUZBBFNZLEJ-CALCHBBNSA-N 348.491 1.372 0 40 EDAB COc1ncnc2c1CN(CC(=O)Nc1cc(C(C)C)no1)CC2 97201999 SUBUDCMZDOSNJG-UHFFFAOYSA-N 331.376 1.593 0 40 EDAB COc1cc(CN2CC[C@@H](NCc3cnn(C)c3)C2)cc(OC)c1 84318528 VNOAWUGBWVGRCE-MRXNPFEDSA-N 330.432 1.801 0 40 EDAB CN(C)C(=O)CN1CCCN(CCC(=O)Nc2ccccc2)CC1 95349812 QYOFNXSJWRBBEF-UHFFFAOYSA-N 332.448 1.111 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(C[C@@H]2CCOC2)C1 84671333 HDZZWPIFIUGPEN-DZGCQCFKSA-N 334.420 1.406 0 40 EDAB O[C@@H](COc1cccc2[nH]ccc12)Cn1nnnc1-c1ccccn1 95414575 ASLDXCQFYRXLAC-GFCCVEGCSA-N 336.355 1.656 0 40 EDAB O=C(NCCc1csc(-c2ccccc2)n1)N[C@H]1CCCNC1=O 84899623 ZUMYDQWLTBHAQS-AWEZNQCLSA-N 344.440 1.930 0 40 EDAB CN1C[C@H](C(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1=O 88267499 XPWNEDYHCXZVAE-CQSZACIVSA-N 325.368 1.313 0 40 EDAB O=C(NCCN1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1)C1CCC1 95987271 PIGHKBIGFBCBJU-OALUTQOASA-N 343.471 1.179 0 40 EDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccc2cc[nH]c2n1 95997781 DDJFNEZHSBVCEA-HOCLYGCPSA-N 344.415 1.030 0 40 EDAB CC(C)[C@H](O)C1(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 95988234 JNVFBVQKGYTOAH-WFASDCNBSA-N 326.462 1.782 0 40 EDAB CNC(=O)CN1CCC(N[C@@H]2CSCCc3ccccc32)CC1 89386116 DEIWJXMVLGSZMO-QGZVFWFLSA-N 333.501 1.817 0 40 EDAB COc1cc([C@H](C)NCCc2nc(C)no2)ccc1S(C)(=O)=O 89518939 HLKMZAIYZONTDM-JTQLQIEISA-N 339.417 1.683 0 40 EDAB Cc1nnc2ccc(N(C)Cc3nccn3CC(F)(F)F)nn12 89740922 RGJVXJQRROSLMT-UHFFFAOYSA-N 325.298 1.828 0 40 EDAB Cc1ccnc2nc(C(=O)Nc3ccc4oc(N(C)C)nc4c3)nn12 89701931 GDVZARUONNMRFJ-UHFFFAOYSA-N 337.343 1.892 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H](C)Cc1ccccc1Br 89904191 MUGUWIGKDXWIAR-SECBINFHSA-N 349.250 1.046 0 40 EDAB CC(=O)N(C)CC(=O)N[C@@H](C)Cc1ccccc1Br 89904186 QLXJARQJYAPOMC-JTQLQIEISA-N 327.222 1.975 0 40 EDAB CCCC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccn1C 306135430 OQIUMWSEMPRBLM-CQSZACIVSA-N 333.432 1.563 0 40 EDAB Cc1noc(C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 41121731 MDOFZMBWZOKGKZ-UHFFFAOYSA-N 326.378 1.551 0 40 EDAB Cc1cc(N2CCN3CCOC[C@]3(CO)C2)nc(-c2cccs2)n1 1548524338 BEGWMZQUCCVVSW-QGZVFWFLSA-N 346.456 1.397 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CC[C@@H]2C)cc1 557767562 PPWVNVFYDWXFQX-COPLHBTASA-N 326.418 1.277 0 40 EDAB O=C(Cn1c2c(sc1=O)CCCC2)NC[C@H]1Cc2ccccc2O1 68052314 VPRSGXJPILYORU-CYBMUJFWSA-N 344.436 1.909 0 40 EDAB O=C(Nc1cc2ccccn2n1)N1CCC[C@@H]1[C@H]1COCC[C@H]1O 554416332 RYYSFEIDHOGUGV-RBSFLKMASA-N 330.388 1.728 0 40 EDAB CCOC[C@@H]1CN(C(=O)NC2CC(N3CCCCC3)C2)CCO1 527898537 ZBJHPBLXISGHBO-GPANFISMSA-N 325.453 1.450 0 40 EDAB COc1ccc2c(c1)C[C@@H](C(=O)N(CCO)Cc1cccnc1)CO2 152483282 UNNMAQPUMPDKAM-MRXNPFEDSA-N 342.395 1.662 0 40 EDAB COCCNc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)O 217554034 DTYGFCNTWJHXFF-UHFFFAOYSA-N 330.406 1.377 0 40 EDAB COC[C@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1 70655709 MWDNVDIWCDOGNX-LLVKDONJSA-N 327.324 1.381 0 40 EDAB CCOC[C@@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O 218567641 WNOZISMGSKYKKF-MBNYWOFBSA-N 331.434 1.645 0 40 EDAB COC(=O)[C@@H](F)Cn1cnc2c(Br)cccc2c1=O 128238120 INYPJHYEBJYTBJ-VIFPVBQESA-N 329.125 1.670 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1cc(Cl)nc(N(C)C)c1 79044001 AOEDYCNFDATQJE-LLVKDONJSA-N 326.828 1.692 0 40 EDAB CO[C@@]1(C)[C@H]2Oc3c(C)c(O)cc(C)c3C(=O)OC2=C(C)C(=O)[C@@H]1O 13911663 KMXWTZIYEQGIFH-XYJFISCASA-N 348.351 1.550 0 40 EDAB biogenic CC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)c1 78611852 PARCPEUBJQLDEZ-INIZCTEOSA-N 343.427 1.961 0 40 EDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C 74935851 MTFPGBOKZOZSBL-AWEZNQCLSA-N 345.486 1.810 0 40 EDAB O=C(/C=C/c1cccnc1)Nc1cccc(CN2C(=O)CNC2=O)c1 40080684 YDJPEFPDQIHVGU-VOTSOKGWSA-N 336.351 1.785 0 40 EDAB Cc1cnccc1OC1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 329002992 LSOIQHKRYZWGAJ-CQSZACIVSA-N 341.415 1.614 0 40 EDAB O=S(=O)(Cc1ccc(F)cc1)N1CCC2(CC1)OCCCO2 49705979 HAICVUWZTSQXJU-UHFFFAOYSA-N 329.393 1.885 0 40 EDAB COCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225702065 NOOBTKITUYWYNK-UHFFFAOYSA-N 330.431 1.569 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2nnc3ccc(C)cc3n2)CC1 46088638 ALEVIKHQACEADE-UHFFFAOYSA-N 328.372 1.749 0 40 EDAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1occc1C(=O)O 575995383 MQMVUTYEVCPSGO-JTQLQIEISA-N 338.385 1.818 0 40 EDAB C[C@@H]1CN(C(=O)C2CCOCC2)C[C@]12CCN(c1cccnc1)C2=O 96201766 SGAUOENCMBORJW-AUUYWEPGSA-N 343.427 1.710 0 40 EDAB COCC(=O)N1CCN(CCn2cccn2)c2nc(C)ccc2C1 96199113 XTYNEDKKJWEUJH-UHFFFAOYSA-N 329.404 1.082 0 40 EDAB COc1cc(N2CCC3(CCOC[C@H]3NC(=O)C3CC3)CC2)ncn1 96219766 SWYQUBMKZOEKMD-CQSZACIVSA-N 346.431 1.387 0 40 EDAB CCOC(=O)[C@]12CCCN(Cc3ccco3)C[C@H]1CN(C(C)=O)C2 96055998 JAGFYTMGQXJFSC-YJBOKZPZSA-N 334.416 1.903 0 40 EDAB COCCn1c2c(ccc1=O)CCN(C(=O)Cc1ccsc1)CC2 96067745 XSBZQGXOUVWYJP-UHFFFAOYSA-N 346.452 1.726 0 40 EDAB CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CCc3[nH]ncc3C2)C1 96420648 BIGZOOIOAATTNU-AWEZNQCLSA-N 347.463 1.762 0 40 EDAB COc1ncnc2c1CN(CC(=O)N1CCCc3ccccc31)CC2 97201861 IGALVFIOZFRVBV-UHFFFAOYSA-N 338.411 1.823 0 40 EDAB COCCN1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)cc1)CCO2 96228911 WIRHKMLSQNSPFF-IBGZPJMESA-N 348.443 1.185 0 40 EDAB CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 91582672 DHCRUVHGLUTMEC-CQSZACIVSA-N 337.374 1.645 0 40 EDAB O=C(c1ccncn1)N1Cc2cncn2C[C@H](COCC2CC2)C1 96207731 YYRPKHLZTFGCMF-CQSZACIVSA-N 327.388 1.372 0 40 EDAB Cc1cc(C(=O)N2CCn3c(Cn4cccn4)cnc3[C@@H]2C)no1 96070149 HEKYNLAABBOCEX-LBPRGKRZSA-N 326.360 1.641 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(Cc3nccs3)C[C@H]2O1)N1CCCCO1 96209151 KSWQPUZDMQOJRJ-MELADBBJSA-N 337.445 1.677 0 40 EDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)c3cccnc3)C[C@H]21 96081728 XUPRPYPDZGYRET-SJORKVTESA-N 342.399 1.412 0 40 EDAB CC(C)(C)OC(=O)N1[C@@H](CN2CC[C@@H](C(N)=O)C2)COC1(C)C 585086186 ZZSDDINLWMIRJP-NEPJUHHUSA-N 327.425 1.166 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C(C)=O)CCN2C(=O)C2CCC2)c1 257236670 HDDPSAVVTNWRRR-QGZVFWFLSA-N 343.427 1.578 0 40 EDAB CCc1ccc(/C=C/c2nc(-c3cn(CCO)c(=O)nc3O)no2)o1 585133392 GWUKRUAJXCCAES-AATRIKPKSA-N 344.327 1.317 0 40 EDAB CCSCc1ccc(C(=O)N2CCOC[C@@H]2c2nn[nH]n2)cc1 585134129 FOAHNZNFOLZFEE-CYBMUJFWSA-N 333.417 1.667 0 40 EDAB Cc1nocc1S(=O)(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 585115921 ZTPLPQVYQFHKLJ-GFCCVEGCSA-N 347.400 1.594 0 40 EDAB CC(C)(C)c1cc(C(=O)N2CCOC[C@@H]2CCc2cnccn2)[nH]n1 257227893 FRKICCHKYZMLKK-AWEZNQCLSA-N 343.431 1.971 0 40 EDAB CCCS(=O)(=O)N1CCCC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257225655 FHFARWRIVIRBKD-SNVBAGLBSA-N 335.451 1.080 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2csc(N)n2)c1 257215256 CPIPMJWDXKNJSQ-SNVBAGLBSA-N 327.435 1.375 0 40 EDAB CN(C)Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc1 257276100 NSJOUDFQXAILKH-OAHLLOKOSA-N 349.460 1.403 0 40 EDAB CCCc1nnsc1C(=O)NC[C@]1(O)CCN(c2ccccn2)C1 257320488 VXBAEZUFXJPTII-MRXNPFEDSA-N 347.444 1.257 0 40 EDAB Cc1ccnc([C@@H]2CCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 257291276 QGIJVCUCTSCNKW-CYBMUJFWSA-N 338.367 1.860 0 40 EDAB CC(=O)N1CC[C@H]2[C@H](C1)C[C@](C)(CO)N2C(=O)Cc1ccc(F)cc1 257288679 PVDMLTSZRAAUJR-VDZJLULYSA-N 348.418 1.589 0 40 EDAB CNC(=O)[C@]1(C)CN(C(=O)c2ccc(N3CCCC3)cc2)CCO1 257299151 ROYALERIYSWNBP-SFHVURJKSA-N 331.416 1.264 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1 262695990 GIZSKHSTCMKQRJ-JOCQHMNTSA-N 339.413 1.597 0 40 EDAB O=C(O)C1(C(=O)N2CCC(O)(Cc3ccccc3F)CC2)CCC1 1605909138 KGNBNSYMKSUJNA-UHFFFAOYSA-N 335.375 1.977 0 40 EDAB Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(Cc3ccco3)C1)CSC2 604419244 WRIFWUDAZVONSS-JTQLQIEISA-N 346.412 1.747 0 40 EDAB CCc1nnc2n1CCN(c1nccc(N[C@@H]3CCCOC3)n1)C2 1616025167 NYCLXRUQKJTCBJ-GFCCVEGCSA-N 329.408 1.242 0 40 EDAB Cc1cccc(NC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c1 390831808 VDHGWYVYDZFKGO-AWEZNQCLSA-N 337.387 1.833 0 40 EDAB CC(C)(C)n1nnc(CNc2ccc(N3CCC(CO)CC3)cn2)n1 657401310 AQINIABJXCWGMY-UHFFFAOYSA-N 345.451 1.644 0 40 EDAB Cc1cc(N[C@@H]2C[C@@H](C(=O)O)C[C@H]2O)n2nc(C(F)(F)F)nc2n1 662895024 CHGUVWDVMBIDAQ-BWZBUEFSSA-N 345.281 1.088 0 40 EDAB Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)CN(Cc1cccnc1)C2 585110761 CDSMBJAZMUPPIO-INIZCTEOSA-N 339.443 1.831 0 40 EDAB CNc1ncc(CN2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)cn1 585275960 HCUBRZIPJRAHEG-NVXWUHKLSA-N 330.407 2.083 0 40 EDAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)NC3CC3)[C@@H]3OCC[C@@H]32)c1 585109421 ODWDENIIHKFPHG-ULQDDVLXSA-N 328.412 1.812 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC(N3CCNC3=O)CC2)c2ccccc2N1 54318022 OIMAHKUFGALYNU-CQSZACIVSA-N 342.399 1.129 0 40 EDAB NC(=O)[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1 54550696 CKRMBAITTGUNPR-LBPRGKRZSA-N 326.278 1.245 0 40 EDAB O=C(CCc1nc2ccccc2s1)NCC(=O)Nc1cn[nH]c1 51414287 KXFSGYRVODBWEH-UHFFFAOYSA-N 329.385 1.707 0 40 EDAB NC(=O)[C@H]1CN(C(=O)C2c3ccccc3Oc3ccccc32)CCO1 51467674 OUSGQEXROMCELX-MRXNPFEDSA-N 338.363 1.637 0 40 EDAB Cc1cc(C)cc(OCCNC(=O)CCC(=O)N2CCOCC2)c1 55526356 NXBWVINDOSUQSZ-UHFFFAOYSA-N 334.416 1.437 0 40 EDAB CN1C(=O)N(C)C(=O)C(Cc2ccccc2)(CN2CCCCC2)C1=O 59402394 YJYCAIGRBCXBAE-UHFFFAOYSA-N 343.427 1.752 0 40 EDAB Brc1cnc(N2CCN(CCc3ccncc3)CC2)nc1 69455006 ZSHIEEPBLLTHCC-UHFFFAOYSA-N 348.248 1.999 0 40 EDAB O=C1CC[C@@H](C(=O)NCC2(c3ccccc3Cl)CCOCC2)N1 69980367 VFVVYSWFBIAGCG-AWEZNQCLSA-N 336.819 1.783 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1C[C@@H](O)COCc1cccs1 71855436 VUSWSQSXUAUEKP-QMTHXVAHSA-N 342.442 1.053 0 40 EDAB C[C@@H](CCNC(=O)N1CCCN(c2ccccn2)CC1)[S@](C)=O 97138048 DJTHWTKNPRBROO-LFVRLGFBSA-N 338.477 1.460 0 40 EDAB Cc1ccnc([C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C2CC2)n1 97114248 GLZGVUDGVHLTEC-AWEZNQCLSA-N 335.367 1.903 0 40 EDAB Cc1cc(N2CC[C@H](n3nc(-c4cccs4)oc3=O)C2=O)n(C)n1 104368983 PUXYVTLFCHYIFK-JTQLQIEISA-N 345.384 1.585 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCN(C[C@H](C)O)CC1 106666870 YVNNPKDKCNIAOJ-KKUMJFAQSA-N 337.468 1.180 0 40 EDAB C[C@H](N[C@@H](C(N)=O)c1ccccc1)C(=O)N1CCc2sccc2C1 1615588082 BZROAJGQNKKRJG-BLLLJJGKSA-N 343.452 1.838 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2c(=O)[nH]c(N)nc2[nH]1 12562609 MJPORAGRHDSKLC-SFYZADRCSA-N 336.421 1.015 0 40 EDAB Cc1ccccc1C(=O)N[C@@H](C(=O)O[C@@H](C)C(=O)NC1CC1)C(C)C 14185231 WVXRNKDQHOBOBQ-XJKSGUPXSA-N 346.427 1.960 0 40 EDAB CC(C)S(=O)(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 19450986 FKQWZEWXCHKFGH-UHFFFAOYSA-N 333.413 1.505 0 40 EDAB Cc1nccn1CCC(=O)N1CC[C@@H](C(=O)N2CCCCCC2)C1 19745474 ABDOLCBBOWQWIY-MRXNPFEDSA-N 332.448 1.833 0 40 EDAB Cc1ncsc1C(=O)N1CC[C@H](Oc2cncc(N(C)C)n2)C1 225405539 CHNCPUCNIFDIET-NSHDSACASA-N 333.417 1.601 0 40 EDAB O[C@@]1(COc2cccc(F)c2)COCCN(Cc2cscn2)C1 643914627 TVKDJTVAJXTKHI-MRXNPFEDSA-N 338.404 1.925 0 40 EDAB C[C@@H]1C[C@H]1C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 4806649 BLKGJDUGIBRLEB-MWLCHTKSSA-N 334.328 1.305 0 40 EDAB CCN(CC)CCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O 12791053 CRLUSYZBZLLWQD-UHFFFAOYSA-N 333.388 1.208 0 40 EDAB CC(C)(C)c1ccc(N2CCN(Cc3nnc4n3CCC4)CC2)nn1 1888842840 NUZGEBXLSALVPR-UHFFFAOYSA-N 341.463 1.634 0 40 EDAB CCN=c1nc(N2CCN(Cc3ccc(F)cc3F)CC2)cc[nH]1 1889130288 SQHMXFKTFTZAGF-UHFFFAOYSA-N 333.386 1.931 0 40 EDAB Cn1cc(N2C[C@]3(CCCN(Cc4ccncc4)C3)C2=O)ccc1=O 1614946029 UWSDLWBXGGYULR-LJQANCHMSA-N 338.411 1.409 0 40 EDAB CS(=O)(=O)CCC(=O)N[C@H]1CCCn2cnc(-c3ccccc3)c21 1565556466 JKZYKASFSQFTFP-AWEZNQCLSA-N 347.440 1.936 0 40 EDAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C(=N)N)C(=N)S2)cc1 4577163 YXKHYJURIPHEGC-JTQLQIEISA-N 335.389 1.186 0 40 EDAB CNCCCN[C@H](CC(=O)Nc1cc(Cl)ccc1OC)C(=O)O 8486132 NWLYHPYJBMZEKU-GFCCVEGCSA-N 343.811 1.330 0 40 EDAB COc1ccc(C(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1 8954564 FVEQQRNCFVSABP-UHFFFAOYSA-N 339.351 1.942 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1nc2c(C)cccc2s1 38488401 JAMFKDUTZOOOQB-UHFFFAOYSA-N 330.369 1.471 0 40 EDAB Cn1nccc1-c1ccc(CNC(=O)Cn2nnc3ccccc32)cn1 575620165 QMNMHOMBLSKMNN-UHFFFAOYSA-N 347.382 1.543 0 40 EDAB Cc1ccc(CNC(=O)CN2CCC(NC(=O)C3CCC3)CC2)cc1 363657301 BUETUCBPZNRBQL-UHFFFAOYSA-N 343.471 1.992 0 40 EDAB C[C@H](CO)[C@H](C)N1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2C 4826890 NROOBIQMBJYJAU-WQGACYEGSA-N 329.400 1.496 0 40 EDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCCCn1cccn1 30169809 MJXCVQYTTYKXDV-AWEZNQCLSA-N 334.445 1.906 0 40 EDAB CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 50720062 JVGHTNGXKUXFKD-AWEZNQCLSA-N 332.400 1.836 0 40 EDAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]12 100868718 LJIVJJIPUXDHPN-QWRGUYRKSA-N 335.747 1.029 0 40 EDAB O=C(NCCc1cccs1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31601953 NRQCTAGDGLKIOH-CYBMUJFWSA-N 329.425 1.851 0 40 EDAB Cc1ccnn1-c1ccc(C(=O)NCCN2C(=O)CSC2=O)cc1 40554767 VJEXJEPKEDTAEX-UHFFFAOYSA-N 344.396 1.606 0 40 EDAB O=C(Cn1cnnn1)N(Cc1ccccc1Br)C1CC1 40500848 UOHDXGPRAZYJFC-UHFFFAOYSA-N 336.193 1.627 0 40 EDAB CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1cnn(C)c1 40527966 NZUOGEQFOCZTNG-UHFFFAOYSA-N 339.417 1.648 0 40 EDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccco1 20727231 NDIPUDQQRJMJQG-ZDUSSCGKSA-N 341.367 1.179 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(-n2cccn2)nc1 32769376 SATABMANQIRSDK-UHFFFAOYSA-N 346.350 1.616 0 40 EDAB CC(=O)N1CCCc2cc(NC(=O)NCCS(C)(=O)=O)ccc21 69950810 UDYLHPWYRFTYCI-UHFFFAOYSA-N 339.417 1.152 0 40 EDAB NC(=O)CS(=O)(=O)Cc1ccc(OCc2ccc(F)cc2)cc1 69817250 HJIFVLJYFMLNJI-UHFFFAOYSA-N 337.372 1.805 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NCCc1cccs1 69924248 JZNHMDJCNKTNSW-DLBZAZTESA-N 349.500 1.882 0 40 EDAB Cc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1C 308945 JCKKKFWTNCXXHS-HNNXBMFYSA-N 340.445 1.365 0 40 EDAB CC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 425801 FHJXYPPMLSCVGE-UHFFFAOYSA-N 325.777 1.913 0 40 EDAB CCO[C@H]1C[C@@H](N(C)Cc2cc(=O)n(C)c(=O)n2C)C12CCCCC2 76040596 CBGVBZDKIGFOGG-CVEARBPZSA-N 349.475 1.644 0 40 EDAB COCCOCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 76023249 XJEITQYTSIYDFV-QWHCGFSZSA-N 330.425 1.459 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)CCO2)n1 76045245 VTRYUAWDDHTROM-HOTGVXAUSA-N 342.399 1.634 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)NCCc3ccccc3)CCO2)n1 76042568 PPWXPYJYYJOPSV-BBRMVZONSA-N 343.431 1.234 0 40 EDAB Cc1nn(CC(=O)N2C[C@H](C)[C@@H](N(C)C)C2)c(=O)c2ccccc12 78895250 KNXYWNGQLFLMRQ-LRDDRELGSA-N 328.416 1.113 0 40 EDAB CC[C@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)C[C@@H](C)O1 78925450 XHINUBBTYIQSLL-HIFRSBDPSA-N 325.453 1.892 0 40 EDAB CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 2146087 YFTJDKJZUDIPTE-LDDOYCOJSA-N 331.368 1.905 0 40 EDAB biogenic CNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCOC2)ccc1Cl 41369029 VGCTUURVPXJOEU-SECBINFHSA-N 332.809 1.014 0 40 EDAB COc1ccccc1NC(=O)NC(=O)N(C(C)C)S(C)(=O)=O 4745774 NVGFTTPEORRDPT-UHFFFAOYSA-N 329.378 1.607 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 41673668 QPNMRKSQTAGFBH-ZDUSSCGKSA-N 349.456 1.498 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1sccc1S(=O)(=O)N1CCCC1 41947502 SPZHTCRCLAVYDY-NSHDSACASA-N 344.458 1.441 0 40 EDAB Cc1ccc2[nH]c(SCc3cc(=O)n4nc(N)[nH]c4n3)nc2c1 103936772 NUGWKCBCIACZFV-UHFFFAOYSA-N 327.373 1.477 0 40 EDAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N1CC[C@H](C(N)=O)C1 53894997 NPLWORPJJQXJLF-ZDUSSCGKSA-N 344.390 1.505 0 40 EDAB Cc1nc(N2CCN(Cc3c(C)noc3C)CC2)c2cnn(C)c2n1 54058323 BBNNLZUOIVMSFE-UHFFFAOYSA-N 341.419 1.599 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 109933151 YXKQDNPFRJJYRP-JYJNAYRXSA-N 338.429 1.322 0 40 EDAB Cc1nccc(N2CCN(C(=O)NCCc3c(C)noc3C)CC2)n1 97136681 XUPPPKOAMXIXPA-UHFFFAOYSA-N 344.419 1.464 0 40 EDAB Cc1ccc(C)c(OCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 47647031 VKVLWWFJUZHCDW-INIZCTEOSA-N 346.427 1.532 0 40 EDAB CN(C)C(=O)COc1cc(C(=O)N2CCc3ccccc3C2)nn1C 57312684 UDQWOXKUIMMPKQ-UHFFFAOYSA-N 342.399 1.086 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(Cc2ccccc2)CC1 24360640 OEGXWYQBNVEYRR-UHFFFAOYSA-N 326.444 1.924 0 40 EDAB C[C@@H](NC(=O)NC[C@@H](c1ccco1)N(C)C)c1nnc2ccccn12 43137572 NIHHIGCENQWUGW-OLZOCXBDSA-N 342.403 1.985 0 40 EDAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646788 GCGMPWGQRXTVMA-CNBXADPUSA-N 343.379 1.983 0 40 EDAB COc1ccccc1[C@H](Nc1ccc2nnnn2n1)c1nccn1C 12556650 LRJSJPGWJPOHLR-HNNXBMFYSA-N 336.359 1.463 0 40 EDAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCN(c2cnccn2)CC1 25343005 YGFPNFXIKGLSOA-UHFFFAOYSA-N 346.774 1.821 0 40 EDAB O=C(NCCNc1ncccn1)C1CCN(Cc2ccccc2)CC1 57170518 MDGOCBCVFXXOHA-UHFFFAOYSA-N 339.443 1.917 0 40 EDAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H]1CCc2nccn2C1 97197496 KVUFFSPWERLCJR-CYBMUJFWSA-N 337.383 1.033 0 40 EDAB Cc1ccccc1[C@@H](C)NC(=O)CCNS(=O)(=O)c1cccnc1 58066372 YSDCZQZGIYVSLF-CQSZACIVSA-N 347.440 1.936 0 40 EDAB CCOC(=O)[C@@H]1CCCN(CC(=O)NCc2ccccc2OC)C1 10052779 DWUCQSAKERVMED-OAHLLOKOSA-N 334.416 1.587 0 40 EDAB CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1 58223200 OVBCHALYEVHOPE-ZDUSSCGKSA-N 341.411 1.905 0 40 EDAB O=C1CN(c2ccc(Nc3ncnc4sccc34)cn2)CCN1 44933870 BSPIYZBEFWEYKH-UHFFFAOYSA-N 326.385 1.766 0 40 EDAB c1ccc(CN2CCC(NC[C@H]3CNc4ccnn4C3)CC2)nc1 58307305 DDDDITSFOUFIND-HNNXBMFYSA-N 326.448 1.574 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@@H]2c2ccccc2)cc1C(N)=O 58414693 GRDPVEMQZYNVQE-OAHLLOKOSA-N 346.408 1.930 0 40 EDAB Cc1cccc(OCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 58407059 XJRPQFVFQCAJSC-QGZVFWFLSA-N 345.443 1.315 0 40 EDAB COC(=O)c1sccc1NC(=O)CSc1nnc(N)s1 10789958 HHTWENVIGNIKLQ-UHFFFAOYSA-N 330.416 1.699 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C(C)C)CC2)c1 36386393 QBGYRSUVURTZGU-UHFFFAOYSA-N 346.431 1.384 0 40 EDAB CC(C)NC(=O)CNC(=O)[C@@H](c1ccccc1)N1CCSCC1 58783293 XQCSHPSRNPAJMM-MRXNPFEDSA-N 335.473 1.417 0 40 EDAB Cc1nc2ccccc2c(=O)n1Cc1ccc(S(=O)(=O)N(C)C)o1 48303342 FQAJFMKLIUNQLT-UHFFFAOYSA-N 347.396 1.597 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(OCC(N)=O)c(OC)c1 48308703 BFSSDQKOWDLKHY-GFCCVEGCSA-N 336.388 1.058 0 40 EDAB Cc1n[nH]c(SCC(=O)N(C)C[C@H]2COc3ccccc3O2)n1 12885195 YQPPDYVJPIYOAH-NSHDSACASA-N 334.401 1.504 0 40 EDAB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 3448152 MRXRBFLMYGWEQA-UHFFFAOYSA-N 344.389 1.535 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCNCc2c(F)cccc2F)C[C@@H](C)O1 48783345 RKMFYUUCUQMEII-TXEJJXNPSA-N 348.415 1.493 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 13000326 KRFLQEZXIPMCFM-HNNXBMFYSA-N 334.372 1.427 0 40 EDAB CCc1ccccc1NC(=O)Cn1nnn(-c2cccs2)c1=O 8735570 FLJKQWZSPZECQH-UHFFFAOYSA-N 329.385 1.692 0 40 EDAB Cc1nc(NC(=O)[C@@H](C)NS(C)(=O)=O)sc1-c1ccccc1 63092752 BUCJWPIWSDCQKG-SNVBAGLBSA-N 339.442 1.995 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1CCOCCOc1ccccc1 49769192 LZWQLRNEARQYOO-UHFFFAOYSA-N 347.392 1.927 0 40 EDAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nn1cnnc1 6229506 OBUCSJJJXVGKCB-UHFFFAOYSA-N 327.344 1.205 0 40 EDAB Cc1cc(C)n(-c2ccc(SCC(=O)NC[C@@H]3CCCO3)nn2)n1 14085979 GOBDGMUGJYUQAU-ZDUSSCGKSA-N 347.444 1.666 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@H](c1cccc(OC)c1)N(C)C 65590720 XFXIUAGZPIDJGN-OAHLLOKOSA-N 346.435 1.409 0 40 EDAB Cn1cc(CCNC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cn1 65609899 FWSQRIBWOUCNAR-HNNXBMFYSA-N 345.422 1.927 0 40 EDAB COc1ccc(CCNS(=O)(=O)c2c(C)noc2C)cc1OC 4511573 AOULESHQUACDDV-UHFFFAOYSA-N 340.401 1.830 0 40 EDAB Cc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)c1 409278658 FJRYBQYTKVLWAN-ZUMXRPEOSA-N 327.336 1.181 0 40 EDAB COc1ccccc1CC(=O)N1CSC[C@@H]1C(=O)NCC1CC1 71185394 MZOJDVLHNGUROO-CQSZACIVSA-N 334.441 1.665 0 40 EDAB Cc1cc(OC[C@H](O)CN(CCO)CCO)c(C(C)C)cc1Cl 6790352 WFCUXCNIJYDTEN-CQSZACIVSA-N 345.867 1.798 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1Cl 9048320 RAXGAZURTZPHHX-NSHDSACASA-N 332.809 1.711 0 40 EDAB CCOC(=O)c1cnc(SCC(=O)NC(CC)CC)nc1N 5969368 VSQJCHCXWJXCLJ-UHFFFAOYSA-N 326.422 1.632 0 40 EDAB COCCCNS(=O)(=O)c1ccc(OC)c(Br)c1 5915086 CGXPWYIAZUSULB-UHFFFAOYSA-N 338.223 1.773 0 40 EDAB CN(C)c1ccc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)cc1 9154870 BAPUTFUKRJVSJI-UHFFFAOYSA-N 347.440 1.471 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 7723195 WYPWTBCBFBOLPN-NWDGAFQWSA-N 326.393 1.315 0 40 EDAB CN(CC(=O)NC1CC1)S(=O)(=O)c1c(Cl)cccc1Cl 7702703 QDRYUYUVGVYFPF-UHFFFAOYSA-N 337.228 1.893 0 40 EDAB CCNC(=O)c1cccc(NC(=O)N[C@H](C)C(=O)N[C@@H](C)CC)c1 68528459 JDFXGWUFBFXPLL-NWDGAFQWSA-N 334.420 1.861 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 68547738 PKXKJEYWAQGHCW-ZDUSSCGKSA-N 346.366 1.539 0 40 EDAB CN(C)CCNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 7984536 LLCBFHLVVPYOKA-UHFFFAOYSA-N 336.480 1.322 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1C[C@@H](O)COc1ccccc1F 9591447 NEIQZIIQRLWWNT-GFCCVEGCSA-N 336.363 1.820 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)OCc2ccc(C(N)=O)cc2)cc1 16817878 AGUDCYQCELDNQT-UHFFFAOYSA-N 333.365 1.546 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCC(O)CC2)c(C)c1 69245591 KSGQQPXNWPUPGR-UHFFFAOYSA-N 333.432 1.123 0 40 EDAB CC[C@@H](C)NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 69570513 GGYICJVJIZAYPL-CQSZACIVSA-N 333.436 1.218 0 40 EDAB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)[C@H]1CC=CCC1 69530251 GZTYWWBNDHJVET-RRFJBIMHSA-N 326.462 1.110 0 40 EDAB Cc1cc(CS(=O)(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)no1 69620896 SRLLGORBBFFIGJ-PWSUYJOCSA-N 329.422 1.192 0 40 EDAB Cc1cc(C(=O)N2CCC(CN(C)C)CC2)c2c(C)nn(C)c2n1 69699526 KFBBJYCSLARSAM-UHFFFAOYSA-N 329.448 1.999 0 40 EDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(Cl)cc1 8656796 NHTVHSVFDOQVSM-UHFFFAOYSA-N 329.747 1.627 0 40 EDAB Cc1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c(C)n1 71841575 JZADVGSVYZNZDT-AWEZNQCLSA-N 329.375 1.912 0 40 EDAB Cc1cnn(C[C@H](C)NCC(=O)NCc2ccc3c(c2)OCO3)c1 71872160 KKCSOYIWVXLNKM-ZDUSSCGKSA-N 330.388 1.215 0 40 EDAB CC(C)CN(C)S(=O)(=O)c1ccccc1C(=O)N1CCOCC1 71889706 MZINTQUPGQKSMZ-UHFFFAOYSA-N 340.445 1.436 0 40 EDAB CCCS(=O)(=O)NCCNc1ccc(-n2nc(C)cc2C)nn1 19924140 RNJUXZFORYFQCR-UHFFFAOYSA-N 338.437 1.020 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 83829932 KSMSDGWMDXLIBI-INIZCTEOSA-N 340.427 1.998 0 40 EDAB CCOc1ncccc1CNc1cnn(C)c(=O)c1Br 71903095 VDJSUMQDDWDEOK-UHFFFAOYSA-N 339.193 1.949 0 40 EDAB C[C@@H](CCN(C)C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 71924120 QFOQKUIFRHHBHO-LBPRGKRZSA-N 328.434 1.466 0 40 EDAB CC(=O)N1CCN(C(=O)CCNCc2cc(Cl)ccc2F)CC1 97021041 FWFMJHPESCLNNK-UHFFFAOYSA-N 341.814 1.650 0 40 EDAB O=C(NCC[S@@](=O)c1ccccc1F)N1CCOC[C@H]1C1CC1 97022353 UJOFJZFPRINOHN-PSLXWICFSA-N 340.420 1.754 0 40 EDAB CCn1nc(C(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)ccc1=O 72275548 LOIXFPPBHXAIAQ-LBPRGKRZSA-N 345.403 1.789 0 40 EDAB O=C(c1cccnc1N1CCOCC1)N1CCC[C@@H]1Cn1cccn1 72279997 BBVRXUYLKKBSTD-OAHLLOKOSA-N 341.415 1.420 0 40 EDAB O=C(NCCCc1nnc2ccccn12)c1cc(=O)[nH]c2ccccc12 72405569 CVPLCVRUHRBPHV-UHFFFAOYSA-N 347.378 1.933 0 40 EDAB CN1CCN(C(=O)c2ccccc2OCC(N)=O)c2cc(F)ccc21 72502812 RWJXMGIPEJWYND-UHFFFAOYSA-N 343.358 1.786 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@@H](Nc2ccc3nnnn3n2)C1=O 95398156 XCRVAVAWHOVVTH-GFCCVEGCSA-N 341.350 1.574 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2Cc3cccc(F)c3O2)C[C@@H]1N1CCOCC1 84735767 GRFPLXBLXSVLCL-COXVUDFISA-N 348.418 1.698 0 40 EDAB CCOC(=O)C1(NC(=O)c2cc3c(s2)CCC3)CCN(C)CC1 95451227 UPYDCZZNMJJXFB-UHFFFAOYSA-N 336.457 1.994 0 40 EDAB COc1cc(C(=O)N[C@@H]2CCN(C(C)=O)C2)sc1Br 95443324 BUQBKLKZYNRXPH-MRVPVSSYSA-N 347.234 1.870 0 40 EDAB CCS(=O)(=O)NCC(=O)Nc1ccccc1N1CCCCC1 84811591 QQLPMIMTZRTWCC-UHFFFAOYSA-N 325.434 1.555 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 95947290 AQFMMMSJKUQRTK-ZDUSSCGKSA-N 333.407 1.180 0 40 EDAB Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@H]2CCC(=O)N2)cc1 95962157 KHYJHSYYTGIAAH-DLBZAZTESA-N 330.428 1.824 0 40 EDAB C[C@@H]1C[C@H](NC(=O)N(C)Cc2cnn(C)c2)C(=O)N1c1ccccc1 74780179 MTEKKSPVGKXROP-CJNGLKHVSA-N 341.415 1.756 0 40 EDAB O=C1[C@@H](N2CCN(c3ccc(O)cc3)CC2)CCN1C1CCOCC1 75092121 HJLUBNJZVPSWDN-SFHVURJKSA-N 345.443 1.294 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)c3ccn(C)c3)CC2)cc1 75027945 IQHUOHXPZDGQMW-UHFFFAOYSA-N 327.384 1.632 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1csc(-c3ccccn3)n1)CC2 65465865 AVSKMDVUURWKRF-LLVKDONJSA-N 340.412 1.850 0 40 EDAB CCN(CC(=O)O)C1CC(NC(=O)CO[C@H]2CCC[C@@H](C)C2)C1 547699796 QTQNEDZSPYMGJY-URGYJCLVSA-N 326.437 1.635 0 40 EDAB C[C@H]1CCN(C(=O)C(=O)Nc2cccn(C)c2=O)[C@H](c2ccco2)C1 126924746 NTIDFMGDTGNLIN-JSGCOSHPSA-N 343.383 1.917 0 40 EDAB O=C(NCCn1ccnc1)c1cc(=O)c(OCc2ccccc2)c[nH]1 524734942 LIOLCRWZZHTHQX-UHFFFAOYSA-N 338.367 1.580 0 40 EDAB Cc1cc(C)c(C(=O)NCc2nc(-c3cccs3)n[nH]2)c(=O)[nH]1 73493632 NYJIYNFAIGHLHF-UHFFFAOYSA-N 329.385 1.768 0 40 EDAB CNC(=O)CCc1cc(C)nc([C@@H]2CCCN(Cc3ncc[nH]3)C2)n1 72367034 QCSNHVYEURTHIY-CQSZACIVSA-N 342.447 1.566 0 40 EDAB COCCNc1ccc(C[C@@H]2CCCN(c3cnccn3)C2)nn1 72387271 FZVAMWHSCAXOKR-AWEZNQCLSA-N 328.420 1.784 0 40 EDAB Brc1nc(Br)n(CCC2OCCCO2)n1 71978795 ZJKDLNODUUISIO-UHFFFAOYSA-N 341.003 1.956 0 40 EDAB CC(C)N1CCC[C@H](Cc2ccc(N3CCC(C(N)=O)CC3)nn2)C1 72387183 ZOMJYAHHEFQWJG-OAHLLOKOSA-N 345.491 1.841 0 40 EDAB CC(C)OC(=O)c1cc(N)c(Sc2nncn2N)c(Cl)c1 70462549 NEZPMIYJSAKRSL-UHFFFAOYSA-N 327.797 1.944 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H](Cc1ccccc1)c1cccs1 83089494 MJNHOKGXDBYXIB-ZDUSSCGKSA-N 338.454 1.697 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)Nc2cnn(C)c2)cc1C 226744728 NITGCIFAFCPNDB-UHFFFAOYSA-N 339.373 1.081 0 40 EDAB COc1ccc(-n2nnc(C(=O)Nc3nc(C)c(C)s3)n2)cc1 75163507 XAFMHUQJCLLFBA-UHFFFAOYSA-N 330.373 1.997 0 40 EDAB COCCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223355821 YGHYMRGIGOLGQT-CYBMUJFWSA-N 334.372 1.059 0 40 EDAB Cn1nc(-c2cccs2)cc1C(=O)NCCCn1ncccc1=O 49027525 TZVBPMGRQQHPMO-UHFFFAOYSA-N 343.412 1.525 0 40 EDAB CN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 44365074 WSRXPQNUFGJHQU-CYBMUJFWSA-N 328.409 1.456 0 40 EDAB C[C@@H](Nc1cc(N2CCOCC2)ncn1)[C@@H](O)Cc1ccccc1 225482345 UOGRNLRWOFNCPD-ZBFHGGJFSA-N 328.416 1.717 0 40 EDAB O=C(Nc1ccc(C(=O)N2CCSCC2)cc1)N1CCOCC1 40286460 ABLDFHJVKGNCBI-UHFFFAOYSA-N 335.429 1.740 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1nc(-c2cccn2C)no1 225768220 OXJGUSVFVJXDPD-UHFFFAOYSA-N 337.361 1.158 0 40 EDAB CCOc1ncccc1C(=O)N1CC[C@@H](Oc2ccc(C)nn2)C1 225427645 LDFNNCUMAFUPNV-CYBMUJFWSA-N 328.372 1.872 0 40 EDAB CC(C)[C@@H](NC1CCOCC1)C(=O)N[C@H]1CCN(C2CCCC2)C1 96436392 FBXRACCNJCCJQQ-FUHWJXTLSA-N 337.508 1.913 0 40 EDAB COC[C@@H]1C(=O)NCC12CCN(C(=O)c1cccc(Cl)c1)CC2 96208440 COHJSHUPUJJPQU-CQSZACIVSA-N 336.819 1.955 0 40 EDAB Cc1ccc(NC(=O)COCc2nc(-c3cccnc3)no2)nc1 96182085 WGKYVXCFALLYJL-UHFFFAOYSA-N 325.328 1.990 0 40 EDAB O=C(O)c1c(-c2cncnc2)ncc2c1CCN(C[C@@H]1CCOC1)C2 96189267 PNUQFCDBMWYLSK-LBPRGKRZSA-N 340.383 1.631 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CN(Cc1cccnc1)CCO2 96158794 ZIKCLVNXWVSMBQ-UHFFFAOYSA-N 341.459 1.682 0 40 EDAB Cn1ccc(C(=O)N2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)n1 96206826 CWLUEVFZYLLASS-SJCJKPOMSA-N 346.362 1.407 0 40 EDAB Cc1ccc(CNC(=O)CCN2CCN(c3ccccn3)CC2)n1C 96444576 ALFQMHCDZMQZBM-UHFFFAOYSA-N 341.459 1.557 0 40 EDAB CN1CC[C@]2(CN(C(=O)[C@H]3CCCO3)C[C@H]2c2ccccc2)C1=O 96201866 LJYCRACRRMUVBP-FRQCXROJSA-N 328.412 1.640 0 40 EDAB c1cncc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 96411869 BAYDDXORDYRCGX-UHFFFAOYSA-N 340.431 1.030 0 40 EDAB CN1CCN(C[C@H]2CCC[C@]3(CCN(Cc4ccncc4)C3)O2)CC1 96207005 CPRWCSOGWNJJGP-WOJBJXKFSA-N 344.503 1.843 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CCn2c(C)cc(O)cc2=O)c1 96118704 GLYIYQRZNGZBBH-UHFFFAOYSA-N 329.356 1.850 0 40 EDAB COCCC(=O)N1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96106865 HTBYFGKFWUHQIB-MRXNPFEDSA-N 334.416 1.785 0 40 EDAB CN1C[C@@H]2CN(S(=O)(=O)c3cccs3)CCC[C@]2(C(=O)O)C1 96064207 ZYVFZMAQBNDECO-RISCZKNCSA-N 344.458 1.165 0 40 EDAB O=C(c1ccnnc1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 96161341 PWBUVJZUUGGBIN-INIZCTEOSA-N 336.395 1.613 0 40 EDAB CS(=O)(=O)C[C@@H]1CCCN(c2nnc(C(F)(F)F)s2)C1 581763000 CMIFIVMHJVRRQD-SSDOTTSWSA-N 329.369 1.818 0 40 EDAB C[C@@H](c1ccccn1)N(C)C(=O)CN1CCN(c2ccccn2)CC1 96436253 CFOFMSMCXWDIGJ-INIZCTEOSA-N 339.443 1.818 0 40 EDAB CCc1ccc(CN2CCN(C(=O)CCS(C)(=O)=O)CC2)s1 96415639 PARFZDDVYIUMSF-UHFFFAOYSA-N 344.502 1.389 0 40 EDAB CC[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1c(C)nn(C)c1C 245339477 TVUAVICURVDLOK-XHSDSOJGSA-N 349.479 1.650 0 40 EDAB Cc1cccc(N2CCN(CC(=O)NC[C@H]3CCCO3)[C@H](C)C2)n1 245312401 IZPUXEPOFCSHTE-HZPDHXFCSA-N 332.448 1.196 0 40 EDAB COCC(=O)NC[C@@H]1CN(Cc2ccc(C)s2)Cc2ccnn21 248086481 KKSUBAIGONATGX-CQSZACIVSA-N 334.445 1.573 0 40 EDAB CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCc1ccccn1 585121918 GEQWZJOHBIPXPV-HNNXBMFYSA-N 348.447 1.291 0 40 EDAB COCCN1C(=O)CO[C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]21 257294143 QSTCEYQBTRURIU-KBPBESRZSA-N 338.791 1.038 0 40 EDAB COc1c(NC(=O)c2ccc(C(=O)O)nc2)cc(Cl)cc1C(N)=O 1599342828 PYLFOBMGARDPIZ-UHFFFAOYSA-N 349.730 1.793 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 257217391 CYTIIKTYAWRRFB-AWEZNQCLSA-N 346.387 1.628 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)CCc2cnn(C)c2C)CCO1 257287439 PPZLIJVSFGTMIR-AWEZNQCLSA-N 344.419 1.093 0 40 EDAB Cc1cc(CC2CCN(C(=O)CCN3CCOCC3)CC2)ccn1 257269725 MRCSTICSCMEUJR-UHFFFAOYSA-N 331.460 1.893 0 40 EDAB Cc1ccc2nc(C(=O)N[C@@H]3CCC[C@@H](N4CCCC4)[C@@H]3O)cn2c1 257302306 SCKVVCWFADFJOY-QGPMSJSTSA-N 342.443 1.750 0 40 EDAB Cc1ncoc1C(=O)N1CCC[C@H](c2ccc3c(N)nn(C)c3n2)C1 257272345 NCBIQJYDXAIXFE-NSHDSACASA-N 340.387 1.867 0 40 EDAB CCN1CCC(N2CCN(C)[C@@H](c3cccc(C(=O)NC)c3)C2)CC1 257250438 JMNSJGKEBMCNFK-LJQANCHMSA-N 344.503 1.819 0 40 EDAB CC(=O)N1CCC(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)CC1 257341807 ZMBHKAFRIHPMTC-OAHLLOKOSA-N 346.431 1.245 0 40 EDAB CCC(CC)[C@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCCC1 42869314 CBCLCMNEFDNHDQ-CABCVRRESA-N 345.509 1.373 0 40 EDAB CCCC(=O)N1CCC[C@@H](C(=O)N2CC[C@@](C(=O)O)(C(C)C)C2)C1 262789221 BSYVOSZUHJVWMP-KDOFPFPSSA-N 338.448 1.984 0 40 EDAB CC(C)Oc1ccc(NC(=O)[C@]23C[C@H]2CCN(C)S3(=O)=O)cc1 260842895 YMHFDCBYTONEMO-WBMJQRKESA-N 338.429 1.836 0 40 EDAB Cn1cc(-c2ccoc2C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)cn1 1615605912 MKTDBMZCDJZORK-TXFQPVFDSA-N 329.356 1.909 0 40 EDAB CNC(=O)[C@H]1CN(C[C@H]2CCCCN2C(=O)OC(C)(C)C)CCO1 1615605382 LCIGTHMKDBNELG-ZIAGYGMSSA-N 341.452 1.223 0 40 EDAB CN(Cc1nnc2n1CCNC2=O)C(=O)CCCC1CCCCC1 1616037447 KVRTXBBHMAXKGX-UHFFFAOYSA-N 333.436 1.731 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccnc1 575402392 CFKHSLCZMNNVTD-BMFZPTHFSA-N 343.427 1.475 0 40 EDAB CC(=O)c1sc(NC(=S)N[C@H]2CCS(=O)(=O)C2)nc1C 575425450 YZOHEVYLADQRLG-QMMMGPOBSA-N 333.460 1.128 0 40 EDAB O=C(CN1CCN(c2ncnc3cccc(F)c23)CC1)N1CCCC1 54043616 ANKWXBOBXUYLSM-UHFFFAOYSA-N 343.406 1.513 0 40 EDAB C[C@@H](NCC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)N(C)C 69585067 VRTNPPCRVXOXJT-QAPCUYQASA-N 333.476 1.498 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)CN3CSCC3=O)C2)c1 69532899 HSZPEADKACBYPR-CYBMUJFWSA-N 349.456 1.171 0 40 EDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)CN(C)c1cnccn1 78771258 LNYLAEOYSGMIES-GFCCVEGCSA-N 348.838 1.972 0 40 EDAB Cc1ccc(C[C@@H](C)C(=O)NCCN2CCS(=O)(=O)CC2)cc1 97048134 MZLWMKYPNURFSZ-OAHLLOKOSA-N 338.473 1.020 0 40 EDAB Cc1nc2c(C(=O)N3CCN[C@@H](Cc4ccccc4)C3)ccnc2[nH]1 1586883710 OQDSMHMXKQNAJC-HNNXBMFYSA-N 335.411 1.923 0 40 EDAB CC[C@H](C)NC(=O)COC(=O)CCN1C(=O)COc2ccccc21 5565574 AKFHOCMTWZGCBD-LBPRGKRZSA-N 334.372 1.260 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)Cn1ccnc1C 19130440 FNVLRWOBDSYPGB-HIFRSBDPSA-N 336.399 1.831 0 40 EDAB c1ccc(-c2cc(CNC[C@@H]3COCCO3)c3nnnn3c2)cc1 19374024 LWNQDOGZJPQXDQ-MRXNPFEDSA-N 325.372 1.296 0 40 EDAB COc1cc(CN2C[C@@H]3CCCN3C[C@@H]2CCO)cc2c1OCO2 19549951 UEECCXSPMXOWMC-GJZGRUSLSA-N 334.416 1.455 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)[nH]c(=O)c1F 19579394 VWFIHJNVJCRFJG-LLVKDONJSA-N 345.330 1.923 0 40 EDAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)C2 19767315 UIALVMIFEYXOHJ-HNNXBMFYSA-N 341.415 1.466 0 40 EDAB O=C(Cn1cccn1)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643585941 FKRGDETZKFPBGJ-JFIYKMOQSA-N 327.384 1.029 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2cc[nH]n2)C3)nc1 1888866768 IWQZWACLMHIPCJ-SUMWQHHRSA-N 327.388 1.829 0 40 EDAB COCC(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037838595 PQOGMXUHOQIELK-UHFFFAOYSA-N 336.363 1.197 0 40 EDAB O=C([C@H]1CCOC1)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 1565546570 HHGBFACQBJLKKW-KSSFIOAISA-N 329.400 1.464 0 40 EDAB Cc1nc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)cs1 1565545108 XXJOPFFEOTZWTC-MBNYWOFBSA-N 335.429 1.303 0 40 EDAB Cc1noc([C@@H]2CNC(=O)[C@H]3CCN(C(=O)C4CC(C)C4)CC[C@H]32)n1 1565550535 BIKOIQYLIWLZCQ-AVQKVTHUSA-N 346.431 1.492 0 40 EDAB O=C(NCc1cccnc1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4272650 FLPVKDNJHDQJLG-CQSZACIVSA-N 328.347 1.825 0 40 EDAB COC(=O)c1c2c(nc3c1c(C)nn3[C@@H]1CCS(=O)(=O)C1)CCC2 16850617 BXXIOEWJHWFJHI-SNVBAGLBSA-N 349.412 1.375 0 40 EDAB O=C1CC[C@H](N2Cc3c(Br)ccc(F)c3C2=O)C(=O)N1 1988184986 CTDLBQHVRCGINQ-VIFPVBQESA-N 341.136 1.349 0 40 EDAB O=C(c1cc2n(n1)CCCO2)N1CCc2nc3ncccc3cc2C1 1890240494 YFMKFSCQYHNXPA-UHFFFAOYSA-N 335.367 1.807 0 40 EDAB Cc1cc(C(=O)NCc2nnc3ccc(-c4cccs4)nn23)[nH]n1 225764026 KIWMTOLJKIEBLR-UHFFFAOYSA-N 339.384 1.814 0 40 EDAB CN(c1ccc(C(F)(F)F)cn1)C1CN(c2ccc3nncn3n2)C1 585592700 OLJZDFQSKRMZLG-UHFFFAOYSA-N 349.320 1.863 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1C 226860095 ITTZPDRVNMRPHC-UHFFFAOYSA-N 330.365 1.988 0 40 EDAB COc1ccc2nc(N3CCC[C@H](NS(C)(=O)=O)C3)ccc2c1 131354086 PEDAHFJZYRNHTP-ZDUSSCGKSA-N 335.429 1.761 0 40 EDAB CC1CCN(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 40105109 OHAXFZFRRCTMTE-UHFFFAOYSA-N 340.445 1.468 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(=O)[nH]1 31284553 LZBWNSBOQWCZTK-INIZCTEOSA-N 345.374 1.668 0 40 EDAB Cc1cccc(OCCN2CCN(CC(=O)N3CCCC3)CC2)c1 40465907 MXBQQTBDUDZLNK-UHFFFAOYSA-N 331.460 1.614 0 40 EDAB COc1ccc([C@@H](CNC(=O)C2CCC2)N2CCOCC2)cc1OC 40463252 VTUXAHUFERAJRX-MRXNPFEDSA-N 348.443 1.993 0 40 EDAB Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)[nH]n2)cc1 40485040 UUXVTUJUNPBEAQ-CYBMUJFWSA-N 333.413 1.644 0 40 EDAB O=C(CN1CCOCC1)NCc1cc(-c2ccc(Cl)cc2)no1 20386008 CGXHXYKVMDGPHA-UHFFFAOYSA-N 335.791 1.943 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)NCCc1ncc2ccccn12 31773116 NCPPFDUULVZYLZ-UHFFFAOYSA-N 348.362 1.289 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 37605 VAXUKQROJSVAPE-GFCCVEGCSA-N 344.392 1.709 0 40 EDAB Cc1ccccc1CCC(=O)N1CCN(C(=O)c2cnccn2)CC1 69660885 CSWOOJBIYJHERF-UHFFFAOYSA-N 338.411 1.702 0 40 EDAB COc1cc(OC)cc(-n2nnnc2SCC(=O)OC(C)C)c1 415260 LEBGXCMFZMJQAB-UHFFFAOYSA-N 338.389 1.723 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)CCCOc2ccc(F)cc2F)CC1 69980968 LRQNKQQCRWZYRS-CYBMUJFWSA-N 342.386 1.649 0 40 EDAB COc1cccc(COCC(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)c1 76052891 QEQFYFJHGDURPY-YJBOKZPZSA-N 348.443 1.391 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)c2ccc(S(C)(=O)=O)o2)no1 76043921 SLAOXZVDJOPKJD-VIFPVBQESA-N 339.373 1.606 0 40 EDAB CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 46542365 ZJZHURZHOSJGPK-UHFFFAOYSA-N 326.399 1.396 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C[C@H](O)c3ccccc3F)C2)n[nH]1 78900416 UBBBOPJKRFPQOV-ZBEGNZNMSA-N 332.379 1.561 0 40 EDAB O=C(c1cccc(-n2cccn2)n1)N1CCN([C@H]2CCSC2)CC1 87493825 OPLLCLRQLGCDEB-AWEZNQCLSA-N 343.456 1.531 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCCOCc1ccco1 102605068 UUQVFCFEMCDPLX-GASCZTMLSA-N 348.399 1.478 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)NCC1(N(C)C)CCCCC1 33019865 SHMZAJZXRUTUST-GFCCVEGCSA-N 330.498 1.157 0 40 EDAB CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1cccnc1 33148167 ICHOEZHSJJPLOT-UHFFFAOYSA-N 325.434 1.541 0 40 EDAB COC[C@@H](NC(=O)N1CCN([C@@H](C)c2ccccn2)CC1)C1CC1 97143128 IWVFCLFULILMFE-WMLDXEAASA-N 332.448 1.895 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@H](c2ccccc2Cl)N1 12345534 XIQAYEHIMANYLW-BMIGLBTASA-N 347.802 1.969 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccnc1-n1cncn1 22978547 LWOMEPUIOKVOFG-TZMCWYRMSA-N 343.387 1.514 0 40 EDAB C[C@H](c1ccccn1)N(C)Cc1cnc(N2CCN(C)CC2)nc1 97113640 PDUFLJKUJGGCCO-OAHLLOKOSA-N 326.448 1.816 0 40 EDAB COc1ccc(CNC(=O)CCn2c(=O)oc3ccccc32)cn1 54444100 CAUAMRFXHTZVPT-UHFFFAOYSA-N 327.340 1.705 0 40 EDAB CCn1cc(C(=O)N(C)CC(=O)N(C)C)c(=O)c2cc(Cl)ccc21 97113423 ZWAOFDKMQIOFOW-UHFFFAOYSA-N 349.818 1.835 0 40 EDAB Cc1cc(CN2CCN(C(=O)Cc3ccc4c(c3)CCO4)CC2)on1 54709945 AIXGXTYSZDHXPT-UHFFFAOYSA-N 341.411 1.805 0 40 EDAB Cc1noc(C)c1CN(C)c1cc(N2CCC[C@H](CO)C2)ncn1 105787349 PPVODUFPECNYTC-AWEZNQCLSA-N 331.420 1.927 0 40 EDAB COCCCNC(=O)c1cn(-c2ccc(Br)cc2)nn1 24963109 NVKMCVKDLHGKOB-UHFFFAOYSA-N 339.193 1.796 0 40 EDAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCNC(=O)C2)CC1 101509893 ROZLITLHPLFJDC-BETUJISGSA-N 339.436 1.276 0 40 EDAB C[C@H]1CCCN(C[C@H](C)NC(=O)C2CCN(c3ncccn3)CC2)C1 106630411 GXYPZKKOLASQSC-HOTGVXAUSA-N 345.491 1.930 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCN(Cc2ccccc2)C[C@H]1C 106797911 QFZPDMKCHCEPLE-JFIYKMOQSA-N 343.471 1.882 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2ccccc2F)CC1 26099418 OMKLVBCGYKLQEV-VOTSOKGWSA-N 326.393 1.379 0 40 EDAB CCCOc1c(CN2CCn3c(CO)nnc3C2)cccc1OC 57823002 LAQXSFGVPVYOSV-UHFFFAOYSA-N 332.404 1.584 0 40 EDAB CCCc1cc(C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cs1 102209080 GOQSIEOMOYVZKK-CYDGBPFRSA-N 334.397 1.508 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 10272965 JRLNYTAUNDLNSQ-UHFFFAOYSA-N 347.440 1.631 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)Nc2ccn(CC(N)=O)n2)c1C 58224647 QIBONZLKVFEURG-UHFFFAOYSA-N 338.371 1.423 0 40 EDAB O=C(O)c1sccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 37837532 LXYYSPLEFUPXFJ-VHSXEESVSA-N 331.415 1.778 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCc1ccccn1 100217177 WKFWQKQAVDBBMM-YZVOILCLSA-N 335.363 1.785 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@H](Cc1ccccc1)NC(N)=O 48276281 GKKVUVHNIXEBQH-HNNXBMFYSA-N 341.415 1.043 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)NCc3cc[nH]n3)cn2)C[C@@H](C)O1 48261189 IUOOAFJFDNZHFE-BETUJISGSA-N 344.419 1.418 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCCCNC(=O)c1ccccc1 58433955 ODHAGDNSJSPIFC-UHFFFAOYSA-N 329.448 1.704 0 40 EDAB COc1ccc(S(=O)(=O)N(CC(=O)O)CC2CC2)cc1Cl 36885549 YIKVCRVFQCHOOR-UHFFFAOYSA-N 333.793 1.834 0 40 EDAB O=C(NCCCN1CCCCC1)NCc1nncn1-c1ccccc1 48301720 SCFBORJUYBBKIW-UHFFFAOYSA-N 342.447 1.943 0 40 EDAB COc1ccc(OC)c2c(=O)c(C(=O)NO[C@@H]3CCCCO3)c[nH]c12 69703453 OOINIYDXDOWUKF-CYBMUJFWSA-N 348.355 1.733 0 40 EDAB Cc1cnn(CCN[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 69780299 YFKXQQCQOSYJBQ-ZDUSSCGKSA-N 327.388 1.155 0 40 EDAB Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)[C@H]2C[C@H]2C)c1C 12916428 MNYNBLBCWBVDIN-OCCSQVGLSA-N 331.416 1.473 0 40 EDAB CN(C)C1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)CC1 69739474 FNSUVKGVKLKNEI-UHFFFAOYSA-N 345.443 1.745 0 40 EDAB Cc1nnc2ccc(C(=O)N3CSC[C@@H]3C(=O)N(C)C(C)C)cn12 69742991 PHVJLUIWVHMWRP-CYBMUJFWSA-N 347.444 1.420 0 40 EDAB CCOc1nnc(CN2CCN(C[C@H](O)C(C)(C)C)CC2)s1 69894763 UDENVONCJQGSBC-LBPRGKRZSA-N 328.482 1.461 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)NCc3ccccn3)CC2)o1 69893920 BGCQIPCVLURZJA-UHFFFAOYSA-N 328.372 1.651 0 40 EDAB C[C@H](Sc1ccc2c(c1)CCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1 8745303 SEZPLCTUNIEFAX-SMDDNHRTSA-N 339.482 1.959 0 40 EDAB N=C(N)NC1=NC(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S1 13729330 ARGNPSFGIFAWGD-LBPRGKRZSA-N 341.396 1.649 0 40 EDAB CC1CCN([C@@H](CNC(=O)N[C@H](C)c2nncn2C)C(C)C)CC1 65390752 FHUUZYGAYSCVLI-CABCVRRESA-N 336.484 1.932 0 40 EDAB CCOc1cc(C(=O)OCC(N)=O)cc(Br)c1OC 5212376 QMJJVAFKWQLVAH-UHFFFAOYSA-N 332.150 1.499 0 40 EDAB O=C(NCCN1CCN(c2ccccc2)CC1)c1cc(C2CC2)[nH]n1 65402605 CBBJUKGNRIOGDZ-UHFFFAOYSA-N 339.443 1.839 0 40 EDAB COc1ccc(CN(C(=O)C[C@@H]2SC(=O)NC2=O)C2CC2)cc1 14022984 YLMJZUSYHCAMJB-ZDUSSCGKSA-N 334.397 1.928 0 40 EDAB Cc1cc(C)n(-c2ccc(SCC(=O)NC[C@H]3CCCO3)nn2)n1 14085982 GOBDGMUGJYUQAU-CYBMUJFWSA-N 347.444 1.666 0 40 EDAB CC(C)[C@@H](C(=O)N1CCN(Cc2ccncc2)CC1)N1CCCC1 65538822 DSNHFNUMEPCBIO-SFHVURJKSA-N 330.476 1.846 0 40 EDAB CC(C)(NCn1nc2ccccn2c1=O)c1ccc2c(c1)OCCO2 65522464 RXSNATXMDVUWIG-UHFFFAOYSA-N 340.383 1.750 0 40 EDAB CC(=O)c1c(C)nn(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)c1C 6472878 CKWZNRYFXKRCGN-ZDUSSCGKSA-N 341.367 1.360 0 40 EDAB C[C@@H]1SCCN(C(=O)Cn2cc(Br)ccc2=O)[C@H]1C 96411122 RYKGYNCZSORAOE-UWVGGRQHSA-N 345.262 1.963 0 40 EDAB COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cc[nH]n1 69452582 CTEJCYLPKOWVMJ-UHFFFAOYSA-N 349.290 1.964 0 40 EDAB O=C(O)C1(C(=O)N2CCN(c3nncc4ccccc34)CC2)CC1 96004370 FXYMYQWRDIYRAV-UHFFFAOYSA-N 326.356 1.143 0 40 EDAB CC(C)c1noc(CCNC(=O)NCC(=O)Nc2ccc(F)cc2)n1 69123685 QGKIHLUFUHEYNS-UHFFFAOYSA-N 349.366 1.813 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 8234604 YTKPMPVTKGMKAG-ZIAGYGMSSA-N 336.432 1.579 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2nc3nc(C)cc(C)n3n2)c1 70004472 XMBPVJKXWDCHRU-CQSZACIVSA-N 339.403 1.551 0 40 EDAB O=C(CNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cccc2ccccc12 69322833 PKAJTTWVFGGPLX-CYBMUJFWSA-N 346.408 1.329 0 40 EDAB Cc1cccc2c1NC(=O)[C@@]21N[C@H](C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 17029026 DHPOEPXCIQUBMS-ZTTNCSQNSA-N 341.411 1.534 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N[C@@H]3CCc4nnc(C)n4C3)ccc21 69434614 INBSMDWXIQGODQ-OAHLLOKOSA-N 339.399 1.240 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1n[nH]c2ccccc12 69419779 VUYPETZWBMZPON-HNNXBMFYSA-N 343.431 1.235 0 40 EDAB OCCN1CCC(CNCc2cc(Cl)c3c(c2)OCCO3)CC1 69431887 IYJJWGVAMKZAIV-UHFFFAOYSA-N 340.851 1.905 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1cccc(N3CCCC3=O)c1)C2 69516465 BTVKXRKPYYJLOP-UHFFFAOYSA-N 325.372 1.369 0 40 EDAB CCc1nnc2n1CCN(C(=O)Cn1ccc3cc(OC)ccc31)C2 69571666 AQWVSDZVDGUJCY-UHFFFAOYSA-N 339.399 1.846 0 40 EDAB CCONC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 69520482 CYJRHNGRGWMJIZ-CQSZACIVSA-N 326.418 1.296 0 40 EDAB C[C@H](CNC(=O)CN1CC(=O)NC1=O)c1c(Cl)cccc1Cl 71897985 XQODHFSZRDVVTE-MRVPVSSYSA-N 344.198 1.765 0 40 EDAB COc1cccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1OC 71829782 VUOPGEHCLKPYCL-JSGCOSHPSA-N 334.416 1.749 0 40 EDAB CN(C)c1ccc(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cn1 71841810 UYCVWOHFTUPXMG-LLVKDONJSA-N 330.354 1.762 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN1CCO[C@H](CN(C)C)C1 71878869 GWTRLBXRDFNONZ-QGZVFWFLSA-N 347.459 1.237 0 40 EDAB Cc1cc(=O)oc2cc(OC[C@@H](O)CN3CCN(C)CC3)ccc12 19912317 HJRAQBDYSJFULU-AWEZNQCLSA-N 332.400 1.089 0 40 EDAB C[C@H]1C(=O)N(CC(=O)Nc2cccc(N3CCCC3=O)c2)C(=O)[C@@H]1C 72311139 QCDVOEFWSDKOPX-VXGBXAGGSA-N 343.383 1.393 0 40 EDAB CC(C)N1C(=O)CN(CN2CCN(CC3CCCCC3)CC2)C1=O 71924459 RQEHAOADLHQQIN-UHFFFAOYSA-N 336.480 1.814 0 40 EDAB CON(C)C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 71914853 JIKYYWSPVGZRMT-UHFFFAOYSA-N 325.308 1.585 0 40 EDAB NC(=O)C1CCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 9647011 XMIGWDOTOOZZFY-UHFFFAOYSA-N 349.456 1.324 0 40 EDAB Nc1cc2c(nn1)CCN(C(=O)c1ccc(-c3ccco3)[nH]c1=O)C2 84432880 NXCOWYYBLZROPE-UHFFFAOYSA-N 337.339 1.206 0 40 EDAB CNC(=O)[C@@H]1CCCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 97083559 GEJLICYBZVRPER-AWEZNQCLSA-N 337.786 1.770 0 40 EDAB O=C(NCC(O)CNC(=O)c1cccc(F)c1)c1cccc(F)c1 97046170 MPBAOKUMUFCTNZ-UHFFFAOYSA-N 334.322 1.486 0 40 EDAB O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(C(F)(F)F)nc1 97082805 YQFOPXURGKZJKB-SECBINFHSA-N 347.322 1.505 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(CC(=O)NC3CCCCCC3)CCO2)n1 72253432 CXBLOWXBWHQKQV-QGZVFWFLSA-N 349.479 1.435 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1cccn1C 84736390 YSKKLPQJLSLZSE-ZBFHGGJFSA-N 327.494 1.953 0 40 EDAB NS(=O)(=O)CCN1CCC[C@@H]1Cc1ccc(Br)cc1 95400249 PWANXZALSFYGPU-CYBMUJFWSA-N 347.278 1.745 0 40 EDAB O=C(CNc1ccc(-n2cncn2)cc1)NC[C@H]1Cc2ccccc2O1 95417949 QKFBDBSEIRSOQK-QGZVFWFLSA-N 349.394 1.799 0 40 EDAB Cc1cnc(CN2CCN(S(=O)(=O)c3ccc(C)s3)CC2)o1 95405113 WZALTSJVMFAZND-UHFFFAOYSA-N 341.458 1.859 0 40 EDAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2cc(C)nn2C(C)(C)C)C1=O 85259762 NDAHDOYDGQYGCM-NSHDSACASA-N 335.408 1.606 0 40 EDAB O=C(Nc1ccn(Cc2ccccn2)n1)N[C@H]1CCc2[nH]ncc2C1 95975251 KRLPHMZRDAVLDF-ZDUSSCGKSA-N 337.387 1.729 0 40 EDAB Cc1cc(C(=O)NC2CCN(CCN3CCOC3=O)CC2)c(C)o1 89580298 GGPLXTSJRJINOC-UHFFFAOYSA-N 335.404 1.543 0 40 EDAB Cc1ccc(-c2nnc(NC(=O)CNC(=O)c3cccs3)[nH]2)o1 89656116 VXSLDAGZELPFGL-UHFFFAOYSA-N 331.357 1.803 0 40 EDAB O=C(Cc1cccs1)NCCOc1cc(N2CCCC2)ncn1 36708009 YPCYFLLKVOFXGU-UHFFFAOYSA-N 332.429 1.876 0 40 EDAB COC(=O)c1cc(I)ccc1N1CCNCC1 39951648 KRKLJAJCXHXRGF-UHFFFAOYSA-N 346.168 1.487 0 40 EDAB Cc1ccc(F)cc1-n1ccn(CC(=O)NC2CCCC2)c(=O)c1=O 67320253 LSOUNSARCSDDSJ-UHFFFAOYSA-N 345.374 1.506 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)COCc1ccccc1Cl)CC2 65463488 KVLWCMWRFVNALA-ZDUSSCGKSA-N 334.807 1.888 0 40 EDAB O=C(CSc1nncc2ccccc12)N[C@@H]1CCS(=O)(=O)C1 30831858 FSFHPKHBFLGPED-LLVKDONJSA-N 337.426 1.025 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccco2)[C@@H]1c1cccc(F)c1 72241705 SYJBQUWVGNUYGP-JKSUJKDBSA-N 332.331 1.633 0 40 EDAB CCCn1nc2c(cc1=O)CN(CC[S@](=O)c1ccccc1)CC2 76064565 GPGPVMGZQRWPID-XMMPIXPASA-N 345.468 1.819 0 40 EDAB CCc1nsc(N2CCC[C@@H](Oc3ccnc(C(=O)NC)c3)C2)n1 521398374 BLFQLTKILVELEF-GFCCVEGCSA-N 347.444 1.903 0 40 EDAB O=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CCCS1(=O)=O 79101923 WJKAHUGFUGWHGR-UHFFFAOYSA-N 329.765 1.354 0 40 EDAB Cn1nc(N)c(I)c1COCC(F)(F)F 72339500 YGOMQDAYDRHLRE-UHFFFAOYSA-N 335.067 1.686 0 40 EDAB CC(C)C(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 32898718 OBFNOIIYLUOWND-GFCCVEGCSA-N 335.379 1.067 0 40 EDAB CC(C)[C@H](CNC(=O)Cn1nnc2ccccc2c1=O)N1CCCC1 42553082 DARSCFQYNIEMRN-INIZCTEOSA-N 343.431 1.028 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)CC[C@H]1Cc2ccccc2NC1=O 42533953 HYVNAOBGUYQUQN-HIFRSBDPSA-N 326.400 1.979 0 40 EDAB CCN(CC)C(=O)CCNC(=O)N[C@H]1CCN(c2ccccc2)C1 78604795 VRXCYVJUWIYEQN-HNNXBMFYSA-N 332.448 1.823 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCCO)ccc1NC1CCCCC1 217589417 LXIILRGQUYLNCS-UHFFFAOYSA-N 342.417 1.400 0 40 EDAB Cc1n[nH]c2ncc(NC(=O)[C@H]3COCCN3CC(F)F)cc12 188285487 MLAXURXMAXNHTO-LLVKDONJSA-N 325.319 1.171 0 40 EDAB CC(C)[C@H]1NC(=O)[C@H]2CN(C(=O)Nc3cccc(F)c3)CCN2C1=O 14543433 JGUUTJKPUJQPDL-ZIAGYGMSSA-N 348.378 1.025 0 40 EDAB CC1CC(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)C1 195533482 PNNRHQOGSCIJIM-UHFFFAOYSA-N 346.479 1.477 0 40 EDAB O=C(Nc1cccc(CS(=O)(=O)N2CCCC2)c1)c1cnccn1 223220340 LEIBOQYJANFRGB-UHFFFAOYSA-N 346.412 1.655 0 40 EDAB C[C@H](C(=O)NC1CCN(c2cc(C3CC3)[nH]n2)CC1)n1cccn1 225753814 DBLOVBQUCSIYAK-GFCCVEGCSA-N 328.420 1.830 0 40 EDAB COc1ccc(CN(CC2CC2)c2ccc3nnnn3n2)c(OC)c1 225703029 FPWSQWNEJIJNJO-UHFFFAOYSA-N 340.387 1.953 0 40 EDAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)C1CCN(c2cnccn2)CC1 81703673 KSEYQHYHGUHZCR-WMZOPIPTSA-N 338.411 1.468 0 40 EDAB Cc1ccc(CNC[C@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)s1 96061015 BQEGBZOSFDPWIR-ZDUSSCGKSA-N 344.444 1.737 0 40 EDAB Cc1cn2nc(N[C@@H]3CCN(C(=O)c4cc(C)on4)C3)ccc2n1 577212577 HUIRHJZMMPGDBZ-GFCCVEGCSA-N 326.360 1.661 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(c2cc(Br)ccn2)CC1 97097168 DLYRMYYIFXXRCF-LBPRGKRZSA-N 340.221 1.672 0 40 EDAB C[C@H](Cc1ccsc1)N(C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 96459250 SUVPVWVGGZBVHF-TZMCWYRMSA-N 344.502 1.256 0 40 EDAB CN(C)[C@H]1COC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 96158639 SWAOCFNOKSDDLT-CQSZACIVSA-N 342.436 1.700 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2ncnc(Cl)c2N)C1 95097785 AMFSNMRMWKMCTH-HTQZYQBOSA-N 329.788 1.104 0 40 EDAB Cc1ccc(N2CCC[C@@]3(CN(C(=O)NC4CC4)CCO3)C2)nn1 96074854 SRBXIKKSGPNXLE-KRWDZBQOSA-N 331.420 1.328 0 40 EDAB CCc1ccc(NC(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N(C)C)C2)cc1 96252818 BEHAZYQBTLKYEM-OWCLPIDISA-N 331.416 1.958 0 40 EDAB Cc1cc(NC(=O)CN2CCN([C@@H](C)c3cccnc3)CC2)n(C)n1 96424304 CHRIMXMFMLZOFH-HNNXBMFYSA-N 342.447 1.441 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95476959 OIIVFJARIXYVKE-ZDUSSCGKSA-N 335.367 1.627 0 40 EDAB C[C@H]1[C@@H](C)OCCN1S(=O)(=O)c1ccc(C(C)(C)C(=O)O)cc1 578643783 BYECEWLBHUENIK-NWDGAFQWSA-N 341.429 1.847 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)c2cccc(Cl)c2)n1 96420425 FLYMTXLVMKRMDS-UHFFFAOYSA-N 327.793 1.833 0 40 EDAB CCN(CC)Cc1cc(=O)n2c(n1)CN(Cc1nccs1)CCC2 96197554 WJCWTOLTOSIRFI-UHFFFAOYSA-N 347.488 1.948 0 40 EDAB CN(C)CCOC[C@@H]1CN(Cc2cccnc2)Cc2ccnn2C1 96188971 XWQJESINZXIEDW-QGZVFWFLSA-N 329.448 1.488 0 40 EDAB CC(C)[C@@H]1CN(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)CCS1 96440620 UMHXEPRQMNGODO-CABCVRRESA-N 339.509 1.806 0 40 EDAB CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2ccc(C(N)=O)cc2)C1 90635730 SLMLAFUEAKTIIU-UHFFFAOYSA-N 340.401 1.179 0 40 EDAB O=C1NCCN(C(=O)CCn2cccn2)[C@@H]1c1ccccc1Cl 97372566 WPZZBOJRYVDHRW-OAHLLOKOSA-N 332.791 1.626 0 40 EDAB Cn1ccnc1CN1C[C@@H](NC(=O)c2ccsc2)[C@H]2COC[C@H]21 96185138 RVIRWGDVCQAXEH-MGPQQGTHSA-N 332.429 1.111 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ccno3)CC2)C[C@@H](O)C1(C)C 257270916 MWDZTGNMOSHPOB-CQSZACIVSA-N 335.404 1.289 0 40 EDAB C[C@@]1(O)CCN(C(=O)c2ncccn2)C[C@H]1Oc1cccc(F)c1 257221032 DNFZTJYUYWSNAL-RHSMWYFYSA-N 331.347 1.660 0 40 EDAB C[C@H](C(=O)N(C)Cc1ccccc1)N1CCN(c2cnccn2)CC1 42632801 VOPUROLOHYPFQK-MRXNPFEDSA-N 339.443 1.646 0 40 EDAB Cc1cc(N(C)C)nc([C@@H]2COCCN2C(=O)c2ncccc2C)n1 257283720 OZORUKRUPOIEDK-AWEZNQCLSA-N 341.415 1.768 0 40 EDAB COc1cccc(CC(=O)N2CCO[C@H](c3ccnc(C)n3)C2)c1 257329606 XKSBLZOSTUBSMF-KRWDZBQOSA-N 327.384 1.936 0 40 EDAB Cc1cc(C(=O)NC[C@H](CC(=O)O[C@H]2CCOC2)CC(C)C)ncn1 585130461 QOJVSMCCFOIHMP-GJZGRUSLSA-N 349.431 1.899 0 40 EDAB O=S(=O)(NCc1noc(-c2cccs2)n1)[C@@H]1CCC[C@H]1O 585115831 VHNBLXICHAVMLA-PSASIEDQSA-N 329.403 1.131 0 40 EDAB C[C@@H](CC(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1)Cc1cccc(F)c1 585124350 HYALECUZNCOKGK-DAXOMENPSA-N 332.379 1.430 0 40 EDAB Cc1cccc(C(=O)N2C[C@@H](O)[C@H](N(C)Cc3ccc(F)cc3)C2)n1 257254374 KCTUEEDSHICVDP-QZTJIDSGSA-N 343.402 1.846 0 40 EDAB CCCn1ccc(C(=O)N2CCO[C@@H](c3nc(C)cc(O)n3)C2)n1 257228276 FTGIUOVTRQLKGY-CYBMUJFWSA-N 331.376 1.311 0 40 EDAB Cn1nccc1C(=O)NCc1ncc(-c2ccccc2C(=O)O)cn1 257215717 CRHUUJXGHPYRLI-UHFFFAOYSA-N 337.339 1.505 0 40 EDAB CS(=O)(=O)c1ccccc1CCNC(=O)[C@]12CCC[C@H]1NCC2 1615545727 HYOUDPCFRUCOCX-WBVHZDCISA-N 336.457 1.281 0 40 EDAB COCCN(C)C[C@H](O)CN[C@@H]1CCCN(c2cccc(F)c2)C1 1615588440 PUAGYMFNWROBHX-SJLPKXTDSA-N 339.455 1.323 0 40 EDAB O=C(Nc1ccccc1F)C1CN(c2cc(-n3ccnc3)ncn2)C1 390827826 KUCBXCRSNMNOHO-UHFFFAOYSA-N 338.346 1.876 0 40 EDAB C[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1cccc2c1OCCO2 650232809 NXSYOHBHOXEZQN-NXEZZACHSA-N 327.358 1.084 0 40 EDAB O=C(c1ccncc1F)N1CCN(c2ccc(C3CC3)nn2)CC1 575607821 JVDDZTLNKIUVHQ-UHFFFAOYSA-N 327.363 1.851 0 40 EDAB COC[C@H]1CCn2nccc2CN1C(=O)COc1ccc(F)cc1 585097259 JFLKWOIOOICAEU-OAHLLOKOSA-N 333.363 1.849 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2cc(-c3ccccc3)[nH]n2)CC1 57739544 HPRDKCSOPPTQKN-UHFFFAOYSA-N 341.415 1.017 0 40 EDAB O=C(CCn1c(=O)oc2ccccc21)N1CCCC[C@H]1C1OCCO1 69415860 CFEZVZKLMFUIFD-AWEZNQCLSA-N 346.383 1.739 0 40 EDAB Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCCN2Cc2ncc[nH]2)n1 72367038 OUJQQKAYJDNTHR-MRXNPFEDSA-N 342.447 1.866 0 40 EDAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(CCC(N)=O)C1 72352397 GXAWRORMRISRLQ-NSHDSACASA-N 331.441 1.926 0 40 EDAB Cc1cc(CC(=O)N2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)no1 95998250 WZXULEDQFMGGGD-INIZCTEOSA-N 348.447 1.069 0 40 EDAB CN1C[C@@H](C(=O)NCc2cncn2C)[C@@H]2COc3ccccc3[C@@H]21 1772595567 GJHMDEXVDFAWNK-VYDXJSESSA-N 326.400 1.348 0 40 EDAB CCOC(=O)Cc1nnc2c(Nc3ccccc3)nc3nonc3n12 5250286 PJQMPAIBBYKXFU-UHFFFAOYSA-N 339.315 1.510 0 40 EDAB CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1ccncc1 12667528 VROHGNXCTIWHOM-CYBMUJFWSA-N 330.413 1.554 0 40 EDAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)N1CCCCCC1 2643079 VYAPCMAFPBLLST-INIZCTEOSA-N 343.427 1.942 0 40 EDAB C[C@H](OC(=O)Cc1ccsc1)C(=O)Nc1ccc(C(N)=O)cc1 6423644 QRRXQOJLTULBGK-JTQLQIEISA-N 332.381 1.960 0 40 EDAB Cc1nnc(N2CC(NC(=O)[C@@H](C)Oc3ccccc3F)C2)s1 1888855807 NDOYRTRAVFHALW-SECBINFHSA-N 336.392 1.758 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(c4nnc(C)s4)CC3)nn2)n1 1888930454 XKWUKDRKNRYMSP-UHFFFAOYSA-N 342.432 1.457 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOc3ccccc32)o1 31578774 SSBKCZQFXUZGGE-LLVKDONJSA-N 336.369 1.441 0 40 EDAB Brc1cnc(OC[C@H]2CCCN(C3COC3)C2)nc1 1776009165 JFSNISZRUOPLTF-JTQLQIEISA-N 328.210 1.729 0 40 EDAB COc1cc(N2CCN(c3nc(C4CC4)ns3)CC2=O)ccn1 1776008746 ORZROCMWKLCHCW-UHFFFAOYSA-N 331.401 1.672 0 40 EDAB COc1cccc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c1 238865367 LQNSZASORDMFAU-UHFFFAOYSA-N 340.383 1.478 0 40 EDAB CN(CC(=O)N1CCO[C@@H](c2ccncc2)C1)Cc1cccnc1 2037670904 KPXUFAYQGAEMGK-QGZVFWFLSA-N 326.400 1.509 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)C3(F)CCC3)CCO2)C1=O 1565550781 FFYMKUNLKKUHET-HNAYVOBHSA-N 346.402 1.732 0 40 EDAB COc1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(C)C)c(OC)c1 1565551641 PYSFWGFEGRXEAQ-DOTOQJQBSA-N 334.416 1.637 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@]2(C[C@H](Nc3ccccn3)CO2)C1 1565552878 AWSQKUDQPZWWKR-BHUQQCALSA-N 329.400 1.146 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@H]2NC(=O)c1ncnc(C)c1C 2055782267 YCNZLKYYUGMOCU-CYBMUJFWSA-N 341.415 1.599 0 40 EDAB COc1cccc([C@@H](c2sc3ncnn3c2O)N2CCOCC2)c1 22609857 CVQWZDHYNBBZPI-ZDUSSCGKSA-N 346.412 1.927 0 40 EDAB Cc1ncnc(OCC2CCN(c3cc(=O)n(C)c(O)n3)CC2)c1C 1775971553 VBBKIPDCGFIZLH-UHFFFAOYSA-N 345.403 1.188 0 40 EDAB COc1ccc(C(=O)N2CC(Cn3nc(C)ccc3=O)C2)c(OC)c1 1775967429 RDWZZWMONVUYQH-UHFFFAOYSA-N 343.383 1.341 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCN(Cc2ccco2)CC1 40012285 NZVLRJOLJIWLDT-UHFFFAOYSA-N 348.424 1.721 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 40485623 ZLBOFXNLAUTDGD-GFCCVEGCSA-N 330.388 1.764 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N3C[C@@H](C)OC[C@H]3C)cnc12 40499040 QSMNMOVBGUCYIR-ZIAGYGMSSA-N 329.400 1.731 0 40 EDAB C/C(NCCCN(C)C)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 20326842 HIJRRDKEMVBRIY-WYMLVPIESA-N 330.388 1.085 0 40 EDAB O=C1COc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2N1 20491479 OUNHYCCBQDKYJT-UHFFFAOYSA-N 344.392 1.765 0 40 EDAB CN(C)c1cc(CNC(=O)c2cccc(CS(C)(=O)=O)c2)ccn1 40512568 FNRXMGPTDJXACQ-UHFFFAOYSA-N 347.440 1.622 0 40 EDAB COc1ccccc1CCNC(=O)CSc1nnc(N)n1C1CC1 31852824 GQJGSBCSBFOQSM-UHFFFAOYSA-N 347.444 1.655 0 40 EDAB O=C(NCc1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 51190010 MFIVIDSDNUPFRG-HNNXBMFYSA-N 349.406 1.606 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Cc1ccc(OC)c(OC)c1 101177149 XARKSACSWLDSFM-DSIZOQBWSA-N 347.411 1.950 0 40 EDAB Cc1cccc(-c2nc(CN3C(=O)N[C@@]4(CCSC4)C3=O)no2)c1 32319715 RTWBESYPEQLNOP-MRXNPFEDSA-N 344.396 1.973 0 40 EDAB CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1C 108603 XFYHSOJKZOABEA-UHFFFAOYSA-N 344.440 1.902 0 40 EDAB biogenic CN1C[C@@H](C(=O)NCc2ccnc(OC3CCCCC3)c2)CC1=O 69738060 YFENNFBGIMBATH-AWEZNQCLSA-N 331.416 1.888 0 40 EDAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC(N)=O)c2C1 2653221 BACUKGVEGRKYPR-SNVBAGLBSA-N 341.367 1.711 0 40 EDAB CCNC(=O)N1CCN([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC1 69737019 FREUPWCWYVIILI-HNNXBMFYSA-N 332.448 1.978 0 40 EDAB C[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC[C@@H]1CCCO1 1345075 IBNQLIDJXYPBCV-DOMZBBRYSA-N 331.368 1.689 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)NCc2coc3ccccc23)cn1 78869963 BJVFIHBGNVWNME-KRWDZBQOSA-N 328.372 1.873 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)COc1cccc(F)c1 32903632 FZQIMTLESDFTBU-QGZVFWFLSA-N 342.370 1.904 0 40 EDAB CC(C)C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)C(=O)N(C)C 32931684 HPABUZRKWAMRBU-AWEZNQCLSA-N 334.416 1.967 0 40 EDAB NC(=O)C1(CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 52745217 HLWMFANYKANNCX-MNOVXSKESA-N 336.354 1.753 0 40 EDAB COc1ccccc1C1=NO[C@@H](C(=O)NCCCn2ccnc2)C1 6738341 UZQCLSZPIUAFRI-MRXNPFEDSA-N 328.372 1.591 0 40 EDAB Cc1ccc(-n2cc(C(=O)NC3CCN(C4CC4)CC3)nn2)cc1 33240921 MIKQAENALHGKFH-UHFFFAOYSA-N 325.416 1.932 0 40 EDAB O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 22609571 RXPFFXXYQZZZOW-HZPDHXFCSA-N 336.457 1.374 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)CN1CCC(N2CCNC2=O)CC1 52215959 RXXQJWVMSYVMMV-UHFFFAOYSA-N 348.422 1.274 0 40 EDAB C[C@H](COc1cccc(F)c1)NC[C@@H]1CNc2c(C(N)=O)cnn2C1 69849010 WNHYAVLDSZMNBA-VXGBXAGGSA-N 347.394 1.220 0 40 EDAB CN1CCC(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 23110408 AOYKIMPKORJVSJ-UHFFFAOYSA-N 347.503 1.920 0 40 EDAB O=[S@](CCN[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 69875828 LGOCPBFOSWWIGO-CMJOXMDJSA-N 330.457 1.843 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2n[nH]c3ccccc23)s1 12507159 XSQDBGSLDREJHX-UHFFFAOYSA-N 336.398 1.202 0 40 EDAB O=C1S/C(=C/c2ccccc2)C(=O)N1CN1CCN(CCO)CC1 22859996 INQHZMHSJUCMPG-NTCAYCPXSA-N 347.440 1.290 0 40 EDAB Cc1ccc2ncc(C(=O)N[C@H]3CCCc4c3cnn4C)c(=O)n2c1 24994932 KEHIAUQYUJWBNQ-AWEZNQCLSA-N 337.383 1.544 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 106514072 LPYHCPADQANWHA-MELADBBJSA-N 347.481 1.420 0 40 EDAB COC(=O)C1(c2ccccc2)CCN(C(=O)CCn2cncn2)CC1 25060773 RXFHTBKRVUCEBK-UHFFFAOYSA-N 342.399 1.402 0 40 EDAB CC(=O)N[C@H](C)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 25162316 AFBOJWXYSXZEAA-SNVBAGLBSA-N 348.428 1.596 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)N1CCc2ccccc21 25140354 NUGLFNXMHUQAKQ-DZGCQCFKSA-N 330.432 1.345 0 40 EDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCC(=O)OCc1ccccc1)CS2 25368260 PQVDWVXSXIXUNW-CXAGYDPISA-N 348.424 1.300 0 40 EDAB Cc1occc1C(=O)N1CCC2(CC1)CC(NS(C)(=O)=O)C2 108531269 DBKDWCRAFGGUPW-UHFFFAOYSA-N 326.418 1.522 0 40 EDAB C[C@@H](NC(=O)CN(C)S(C)(=O)=O)c1cccc(Br)c1 22606730 RPJHIXREEOULSX-SECBINFHSA-N 349.250 1.518 0 40 EDAB Cc1cccc(-n2ncc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)c2C)c1 44724420 WYQULBHHGPPQSE-AWEZNQCLSA-N 347.440 1.654 0 40 EDAB CC[C@](C)(NC(=O)Cn1cnc2c(C)cccc2c1=O)C(=O)OC 58181844 ORJBOHLLLKFBGQ-KRWDZBQOSA-N 331.372 1.163 0 40 EDAB O=C(CCNc1ncccn1)NCCC(=O)NCc1ccccc1 58291807 XCYHTBJCOBCXFC-UHFFFAOYSA-N 327.388 1.101 0 40 EDAB CCN1C[C@@H](C(=O)Nc2cccc(CN3CCOCC3)c2)CC1=O 58209257 QBMKANWPKUDAKM-HNNXBMFYSA-N 331.416 1.326 0 40 EDAB COCCn1c(C)cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c1C 3329527 WPFJCPJXKQYPTL-UHFFFAOYSA-N 343.387 1.078 0 40 EDAB CC(C)CN1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1 44968698 AUFJCICSSVXMAN-UHFFFAOYSA-N 342.447 1.751 0 40 EDAB O=C(NC1CC1)C(=O)N1CCN([C@H]2CCCc3ccccc32)CC1 58377607 NRXOGROHHPPKBO-KRWDZBQOSA-N 327.428 1.487 0 40 EDAB Cc1ccccc1CS(=O)(=O)NCCCN1CCN(C)CC1 22830001 AJAWIXBAJVGQAU-UHFFFAOYSA-N 325.478 1.052 0 40 EDAB CN(CCCNC(=O)NCC1(c2ccccc2)CC1)S(C)(=O)=O 48358202 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338.363 1.537 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)NC(C)C)CC2)cc1 6214216 HYXFNVMWQSOMMK-UHFFFAOYSA-N 339.461 1.856 0 40 EDAB O=C([C@H]1CCOC1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 65494318 BWKBXHULNFFYSU-HNNXBMFYSA-N 342.399 1.417 0 40 EDAB C[C@@H](NC(=O)NCCCn1cncn1)c1ccc2c(c1)OCCCO2 65443528 NOXVGVZAGLOEGT-CYBMUJFWSA-N 345.403 1.890 0 40 EDAB COc1cc(CNC(=O)c2cnc(C)s2)ccc1OCC(N)=O 65625163 ALAVJDKVBOIKPS-UHFFFAOYSA-N 335.385 1.254 0 40 EDAB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)N1CCCC1 5754724 ZAYUOFDKSGQPLH-LLVKDONJSA-N 329.356 1.020 0 40 EDAB CCc1nc(CN2CCN(C(=O)Cc3ccccc3OC)CC2)no1 67661322 MWOOXRSBTKGPLZ-UHFFFAOYSA-N 344.415 1.528 0 40 EDAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC(C)C 409389645 HXTOVBYYITXSBV-UHFFFAOYSA-N 328.434 1.585 0 40 EDAB Cc1cnc(N2CC[C@@]3(COCC[C@H]3NC(=O)N3CCCC3)C2)nc1 306143512 YEJMHFBBNSKHPQ-QAPCUYQASA-N 345.447 1.576 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1ncccn1 8069691 UJIHQXWRGZAVLS-GFCCVEGCSA-N 331.397 1.867 0 40 EDAB COc1cc(C(=O)Nc2ccccc2)cc(OC)c1OCC(N)=O 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C[C@H]1CCCC[C@H]1NC(=O)CNc1ccccc1C(=O)NCCO 69659766 COTXYNQZNLSTFF-DZGCQCFKSA-N 333.432 1.516 0 40 EDAB CC(C)OCCN1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 69658287 NYBNQAYMEQNQHW-HNNXBMFYSA-N 326.462 1.854 0 40 EDAB COc1cccc(S(=O)(=O)CCN2CCC[C@H]2C(=O)N(C)C)c1 69629907 ABBVMTMOQGSKNJ-HNNXBMFYSA-N 340.445 1.022 0 40 EDAB Cc1ccc(C)c(N2N=C(C(=O)NCc3ncn(C)n3)CCC2=O)c1 91886365 GONLSTVRYORGME-UHFFFAOYSA-N 340.387 1.231 0 40 EDAB Cn1nnc2c1CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2 72313102 KIBUZGJOXGMKJU-UHFFFAOYSA-N 346.334 1.581 0 40 EDAB O=C(Nc1cccnc1)N1CCN(C[C@H](O)c2ccccc2)CC1 71893620 YRULJUVUGCFTBL-KRWDZBQOSA-N 326.400 1.965 0 40 EDAB O=C(CN1CCN(Cc2nc3ccccc3o2)CC1)N1CCCC1 71867375 JYNCGOYKCCZMSZ-UHFFFAOYSA-N 328.416 1.568 0 40 EDAB CCCc1noc2ncc(C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)cc12 71830082 SZCZLGZZOWRHEF-QWRGUYRKSA-N 330.388 1.901 0 40 EDAB CNC(=O)CCN(C)C(=O)[C@@H](C)Oc1ccccc1Br 95395679 FJTXZDZXWNFCOH-SNVBAGLBSA-N 343.221 1.811 0 40 EDAB COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCOc1ccccc1F 72292922 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Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2C)c1 408552772 NRBMFHOAYIPFIU-UHFFFAOYSA-N 325.368 1.997 0 40 EDAB CO[C@H](CS(=O)(=O)N1CCC[C@@H](C(=O)O)C1)c1ccc(F)cc1 530139729 NRXQPSGPHUQMPF-TZMCWYRMSA-N 345.392 1.640 0 40 EDAB O=C(CCCc1ccc(F)c(F)c1)NS(=O)(=O)c1cnccn1 152450236 JEQFLTYKYOYFTG-UHFFFAOYSA-N 341.339 1.583 0 40 EDAB CC1(C)NC(=O)N(CCN2CC[C@H](c3nc(C4CC4)no3)C2)C1=O 520853766 ZSBMIPOWJAWYDV-NSHDSACASA-N 333.392 1.067 0 40 EDAB Cn1ccnc1-c1cccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c1 120096670 VZSAKUJZGCRHLA-CQSZACIVSA-N 337.387 1.815 0 40 EDAB COc1ccc(CCN(C)S(=O)(=O)N2CCCCC2)cc1OC 32906677 QCNBDFFAFLDCBX-UHFFFAOYSA-N 342.461 1.909 0 40 EDAB Cn1ccc(-c2cc(C(=O)N3CC(C)(C)O[C@]4(CCOC4)C3)n[nH]2)c1 566019489 JQUIJBCCSGMNMK-GOSISDBHSA-N 344.415 1.825 0 40 EDAB COC(=O)C[C@@H](C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 79321145 GJWLRQWOXZCLLM-MRVPVSSYSA-N 348.808 1.393 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)ccc1-n1cnnn1 71866468 PTFCERJZFRLAIS-HNNXBMFYSA-N 337.387 1.472 0 40 EDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 39918210 LBOPDVYEAJJACY-CQSZACIVSA-N 333.432 1.506 0 40 EDAB O=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1nccs1 49548678 QRDYXCDWUMNFNB-UHFFFAOYSA-N 346.416 1.008 0 40 EDAB C[C@H]1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)C[C@H]1C(=O)O 564569164 YPACUCXLIWPFMU-RRFJBIMHSA-N 341.452 1.240 0 40 EDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)/C=C/c3ccco3)C2)nn1 225442926 UPTFLMZNBIRBQF-GPAKFWEMSA-N 328.372 1.829 0 40 EDAB CNC[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c3ncccc23)C1 565421321 VWTQJBQEGLTZNL-LBPRGKRZSA-N 335.429 1.473 0 40 EDAB COc1cccc2cc(C(=O)NC[C@H](O)c3cccn3C)c(=O)oc12 75155079 PKCGTCUHXQXOHG-AWEZNQCLSA-N 342.351 1.604 0 40 EDAB COc1cc(S(=O)(=O)NC[C@@H](C)Cn2cccn2)ccc1F 190530331 UWQGLDAGGNZBBK-LLVKDONJSA-N 327.381 1.645 0 40 EDAB COc1ccc(NC(=O)[C@H]2COCCN2C2CCCC2)cc1CO 193594805 IMENSIPYECKUMS-MRXNPFEDSA-N 334.416 1.769 0 40 EDAB CCn1nc(C)cc1CNC(=O)Cc1ccc(-n2cnnn2)cc1 226745345 IQUGPXVFRMZNKP-UHFFFAOYSA-N 325.376 1.046 0 40 EDAB CCCCN1C(=O)C[C@H](S[C@H]2CC(=O)N(CCCC)C2=O)C1=O 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ABDKWWIRHAPBPU-GXFFZTMASA-N 341.337 1.723 0 40 EDAB COC[C@@H]1CN(c2cncc(-n3nc(C)cc3C)n2)CC(C)(C)O1 583616845 YHSHUKRPPNNEKU-AWEZNQCLSA-N 331.420 1.909 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(Cc2c(C)noc2C)C1 583617647 VOHIYOKYIDEUOS-OCCSQVGLSA-N 328.376 1.691 0 40 EDAB O=C(N1CCC[C@](O)(c2cnn[nH]2)C1)C1(Cc2ccccc2)CC1 583619003 SRMOLCVHOIYDGB-GOSISDBHSA-N 326.400 1.638 0 40 EDAB O=S(=O)(C1CC1)N1C[C@@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 96042627 FKSVFJFLGAFAHZ-MCIONIFRSA-N 342.392 1.324 0 40 EDAB NC(=O)COc1cccc(CN2CC[C@H](CNc3ccccn3)C2)c1 97200744 FTXUCZAZWITUDW-MRXNPFEDSA-N 340.427 1.880 0 40 EDAB C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1nc(O)nc(O)c1N 331623261 YBIDPGVJRHRUMR-ONGXEEELSA-N 330.344 1.072 0 40 EDAB CN1C(=O)C[C@H](c2ccncc2)C12CCN(Cc1nccn1C)CC2 96069791 SAOVJKOBFGPKNR-MRXNPFEDSA-N 339.443 1.796 0 40 EDAB Cc1nc(CN2CC[C@@]3(CCN(Cc4cnn(C)c4)C3)C2=O)cs1 96159435 NRTMSMJLBWRCSL-QGZVFWFLSA-N 345.472 1.810 0 40 EDAB CC(C)C[C@@H](NC(=O)[C@@H]1CCN(C)[C@@H]1C)C(=O)Nc1nccs1 585089766 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1.903 0 40 EDAB CCc1cc(C(=O)N2CCC[C@H]2c2cncc(CNC(C)=O)n2)on1 257278990 OENIYMWJFQEHEI-HNNXBMFYSA-N 343.387 1.640 0 40 EDAB CCc1nc(C)c(CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)[nH]1 257292544 QMAPOWRFDOUQAV-HZPDHXFCSA-N 345.399 1.603 0 40 EDAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(F)cc2)n1 604382034 ABPVDWJKBWGBII-NCXUSEDFSA-N 345.418 1.614 0 40 EDAB biogenic,in-vitro C[C@@H](NC(=O)Nc1ccnc(C(=O)N(C)C)c1)C1=CCN(C)CC1 272641471 CIOHDBSEZVKYAQ-GFCCVEGCSA-N 331.420 1.555 0 40 EDAB O=C(C1CN(c2cc(-n3cncn3)ncn2)C1)N1CCc2ccccc21 575610203 UOGFGPJMJDIYBZ-UHFFFAOYSA-N 347.382 1.083 0 40 EDAB COCC(=O)NC[C@@H]1CCC2(CN(C(=O)c3cccc(C)c3)C2)OC1 575405962 VMKAQYMXLVTAAE-HNNXBMFYSA-N 346.427 1.379 0 40 EDAB Cc1ccc(C[C@@]2(CO)CN(S(=O)(=O)C(C)C)CCO2)cc1 585276189 MVYMQMGNSJKLCJ-INIZCTEOSA-N 327.446 1.339 0 40 EDAB O=C(c1ccncc1)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585269545 YNXHOJXMUOAZFB-GOSISDBHSA-N 330.359 1.667 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)CCc2cc(O)no2)C1 585276154 KMOMHAIBWUITPB-GOSISDBHSA-N 346.383 1.664 0 40 EDAB CN(C1CCN(CCCc2ccccc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O 585290589 FUHWFKGEHOBXSJ-AQNXPRMDSA-N 348.487 1.136 0 40 EDAB CCCOC1CCN(C(=O)C[C@]2(CO)CCCN2C(C)=O)CC1 585281305 VVYBXBPHESNJND-KRWDZBQOSA-N 326.437 1.168 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1 43934764 IJJUFJLMRILJLE-GFCCVEGCSA-N 349.431 1.918 0 40 EDAB Cc1nnc([C@H](C)N2CCN(C[C@@H](O)COc3ccccc3)CC2)o1 69770376 UXMNRCGTNZLEDG-GOEBONIOSA-N 346.431 1.497 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)Cc2ccc(C)nc2)CC1 69778497 RKCZNFWDFUPOIO-UHFFFAOYSA-N 341.459 1.883 0 40 EDAB Cc1ccc(C[C@@H](C)NC(=O)CN2CCS(=O)(=O)CC2)c(C)c1 71888920 KBIJQBCPGDMLMJ-OAHLLOKOSA-N 338.473 1.081 0 40 EDAB CN1CCN(c2ncc3c(n2)CCN(C(=O)[C@H]2CC2(C)C)C3)CC1 1615585575 CXWOPMNVHVDYMB-CQSZACIVSA-N 329.448 1.159 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N(C)C2CCCC2)CCN1c1cnccn1 1616036638 PQMAWPJMJYPCLV-CYBMUJFWSA-N 339.465 1.106 0 40 EDAB O=C(CSc1ccccn1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 5277848 LANKZJCHVNNNGD-LBPRGKRZSA-N 326.443 1.352 0 40 EDAB CCOc1ccc(NC(=O)CN2CCN(c3nccn3C)CC2)cc1 11695735 PDJARWBCBDYPSF-UHFFFAOYSA-N 343.431 1.580 0 40 EDAB COCC(=O)N[C@@H](C)c1nc2cc(-c3ccc(OC)cc3)ncn2n1 12085154 UOXUYBJVWHNLJX-NSHDSACASA-N 341.371 1.624 0 40 EDAB COCC(=O)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 12326938 OMDXRHFITQQWRK-UHFFFAOYSA-N 337.807 1.690 0 40 EDAB CSCC[C@H](N[C@H](CC(=O)c1ccc(C)cc1)C(=O)O)C(=O)O 12651543 YLFWSRFHTUMACM-QWHCGFSZSA-N 339.413 1.817 0 40 EDAB CN(C)CCN(C(=S)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 18164121 XUJABXAITDHVGQ-CQSZACIVSA-N 341.502 1.434 0 40 EDAB Cc1ccc2oc(C(=O)N3CCN(CC(=O)N(C)C)CC3)c(C)c2c1 19220417 LBFSHPHSRHHSOK-UHFFFAOYSA-N 343.427 1.896 0 40 EDAB CN1C[C@H](c2cc(=O)[nH]c(NCc3ccc(Cl)cc3)n2)CC1=O 19587508 LJFXOTYZZADMIF-LLVKDONJSA-N 332.791 1.981 0 40 EDAB O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1ccnc(OC2CCCC2)c1 240122551 WCPVWHPFMGGNLE-CYBMUJFWSA-N 329.400 1.896 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2oc(C(N)=O)nc2c1 585127711 HRCVXWXEDHVVFJ-GXSJLCMTSA-N 333.344 1.449 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888897295 PGYZZLBADSCBKC-VXGBXAGGSA-N 330.392 1.427 0 40 EDAB O=C(NCCn1nc(C(F)(F)F)ccc1=O)NCc1cccs1 1888914756 QVOVHTHBPIDLPT-UHFFFAOYSA-N 346.334 1.823 0 40 EDAB Cc1cn2nc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc2n1 1888978154 AEIPCYXGBZXSKG-UHFFFAOYSA-N 330.369 1.694 0 40 EDAB O=C1CC(C(=O)N2CC[C@H]3C[C@@]32C(=O)Nc2cccc(F)c2)=CC=N1 2056224335 YNMOCLLQQDLPAZ-SGTLLEGYSA-N 341.342 1.683 0 40 EDAB O=C(N1CCC[C@]2(COCCN(c3ncccn3)C2)C1)C1(F)CC1 1565544977 VDPXXZNGKJRCGT-INIZCTEOSA-N 334.395 1.424 0 40 EDAB O=C(Cn1c(=S)[nH]c2ncccc2c1=O)NCc1ccccn1 424584 JWAYVWVBHASARJ-UHFFFAOYSA-N 327.369 1.165 0 40 EDAB O=C(NCc1ccco1)c1nnc2n(c1=O)CCN2c1ccccc1 12233590 ITRQLZWKSRUNQI-UHFFFAOYSA-N 337.339 1.313 0 40 EDAB CCCCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)NCCOC)C2 2055715961 OKAQYIYVAZWZCA-ZDUSSCGKSA-N 336.436 1.080 0 40 EDAB O=C(N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1)c1ccncc1 2055738809 SDYQYRGCSURYGI-ZDUSSCGKSA-N 340.383 1.593 0 40 EDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2cnn(C)c2)C1 2055747557 GVWJTQSJEGIXHL-KRWDZBQOSA-N 331.395 1.362 0 40 EDAB O=S(=O)(c1cccs1)N1CCC[C@H](Oc2ccncn2)C1 575608908 HLBJUZANHXNCGJ-NSHDSACASA-N 325.415 1.770 0 40 EDAB Cc1cnc2c(c1NCc1ccc(F)cc1)c(=O)n(C)c(=O)n2C 12226708 NMOOIRZLRNBQQJ-UHFFFAOYSA-N 328.347 1.692 0 40 EDAB COc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(C2CCCC2)CN3)cc1 20258375 JESNVOBWOADOFH-UHFFFAOYSA-N 342.399 1.662 0 40 EDAB COC[C@H](C)NC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 40493857 MLPQFHHCKHFDFD-ZLKJLUDKSA-N 340.420 1.120 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 31569618 PZSACZTZTLNEKV-DLBZAZTESA-N 341.363 1.627 0 40 EDAB O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1cccc2ncccc12 31765328 OVUWYWKCTKGMBM-UHFFFAOYSA-N 346.350 1.616 0 40 EDAB C[C@H]1CN([C@@H](C)CNC(=O)c2ccc3c(c2)CCC(=O)N3)C[C@@H](C)O1 40512358 UQCLTNQPNDOICL-MELADBBJSA-N 345.443 1.799 0 40 EDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 51135003 DFLXTBJMHDDIIT-HNNXBMFYSA-N 349.412 1.589 0 40 EDAB CCOC(=O)c1c[nH]n(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)c1=N 101142395 FFRCBNQMYJPKOQ-ZDUSSCGKSA-N 346.431 1.992 0 40 EDAB CN(Cc1cccnc1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 32722113 HDZLXRVQGBHUHD-UHFFFAOYSA-N 330.388 1.295 0 40 EDAB Cc1cccc(O[C@H](C)C(=O)NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102216341 PGONHQPMNUAFCP-YUELXQCFSA-N 328.368 1.745 0 40 EDAB O=C(NCCS(=O)(=O)NC1CC1)C12CC3CC(CC(C3)C1)C2 32818517 LXNWJCONTMBVRL-UHFFFAOYSA-N 326.462 1.401 0 40 EDAB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1F 2659872 RXRYXPWRZKMBFO-CYBMUJFWSA-N 341.335 1.939 0 40 EDAB CN(Cc1nnc2n1CCCCC2)S(=O)(=O)c1cccc(F)c1 32876277 BLOVSEJZYJYCQJ-UHFFFAOYSA-N 338.408 1.964 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@H](c2nc(C(C)C)n[nH]2)C1 78889413 HUBDGXBGCGITOT-JTQLQIEISA-N 336.421 1.556 0 40 EDAB CC1(C)OC[C@@H](CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)O1 79107428 ACEXUVMSXDWHIO-DLBZAZTESA-N 348.443 1.545 0 40 EDAB O=c1cc2c(nn1CN1CCN(c3ccccn3)CC1)CCCC2 79489118 OGOWLTUYZZLCGL-UHFFFAOYSA-N 325.416 1.297 0 40 EDAB C[S@](=O)c1ccc(CNC(=O)c2cccc3c2OCC(=O)N3)cc1 79613763 HMFXNJHQSAVBHA-XMMPIXPASA-N 344.392 1.685 0 40 EDAB CC[C@@H](CNC(=O)C1CCN(c2ncccn2)CC1)N1CCCC1 69368155 PMEHBADERHNFAQ-INIZCTEOSA-N 331.464 1.684 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1OC 6931542 JDXSONFZCFLTDA-SNVBAGLBSA-N 344.433 1.285 0 40 EDAB Cc1[nH]c2ccccc2c1[C@]1(O)C(=O)N(CC(N)=O)c2ccccc21 565261 ODDLWHYDLOXQLW-IBGZPJMESA-N 335.363 1.544 0 40 EDAB biogenic COC(=O)C1=NN[C@]2(CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 547910 MZCFCKPOAIXPCV-HNNXBMFYSA-N 335.747 1.173 0 40 EDAB COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(C)=O)cc1 12377561 DAWDECRXIDSIMR-MDZLAQPJSA-N 332.278 1.505 0 40 EDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C(C)C)cc(C(=O)O)c12 8986122 MUFBSSSLHHZERP-SNVBAGLBSA-N 337.401 1.921 0 40 EDAB O=C(CN1CCOc2ccccc21)N1CCN(c2ccccn2)CC1 3061052 WBUPIXPJWYCFJR-UHFFFAOYSA-N 338.411 1.629 0 40 EDAB Cc1cccc(C)c1OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 20768396 AXJFEQXHCXDIRV-UHFFFAOYSA-N 348.424 1.646 0 40 EDAB CCc1nn2c(=O)c(NC(=O)c3ccccc3OC)cnc2s1 9029220 ACLFDSABFJJAGS-UHFFFAOYSA-N 330.369 1.974 0 40 EDAB CCOCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 24335410 IFLRDZIOLZYFTE-UHFFFAOYSA-N 340.323 1.502 0 40 EDAB C[C@H]1CCCCN1[C@H](C)CNS(=O)(=O)c1cccc(C(=O)O)c1 106068937 ZYRNBLCWQLAIQX-QWHCGFSZSA-N 340.445 1.926 0 40 EDAB COc1ccccc1-c1noc([C@H]2CCCN(S(C)(=O)=O)C2)n1 109458842 CJQXOMGOVOALMK-NSHDSACASA-N 337.401 1.884 0 40 EDAB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 104196692 WDXHIPJRNGZMKX-MGBSGCIJSA-N 338.363 1.635 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1cccnc1 43786691 XSWLTGFYHMSTJE-UKRRQHHQSA-N 326.404 1.901 0 40 EDAB CCOC(=O)CC(=O)CSc1nnnn1-c1ccc(Cl)cc1 3245214 VKFLCZSAJUZEAC-UHFFFAOYSA-N 340.792 1.930 0 40 EDAB C[C@@H](CCNC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)[S@](C)=O 108145491 VYGNRWKCCRVOCF-NFULHVNHSA-N 343.415 1.422 0 40 EDAB CCCn1c(=O)c2ccccc2n(CC(=O)N2CCCCC2)c1=O 57477567 ZYFLBGMOILRSOS-UHFFFAOYSA-N 329.400 1.586 0 40 EDAB Cc1noc([C@H](C)N2CCN(Cc3cn4ccccc4n3)CC2)n1 44586155 WTIPJWXIVLZTSP-ZDUSSCGKSA-N 326.404 1.905 0 40 EDAB Cn1cnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 3396771 OJBYRKFIZXNYGH-UHFFFAOYSA-N 331.401 1.438 0 40 EDAB C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NCc2ccco2)C1=O 58175175 DKMLNYLFAPODGJ-KRWDZBQOSA-N 345.330 1.502 0 40 EDAB COC(=O)c1ccccc1S(=O)(=O)N(C)Cc1cscn1 58180586 TYCYHHYBJAGVBV-UHFFFAOYSA-N 326.399 1.750 0 40 EDAB CNC(=O)C1CCN(C(=O)c2nn(-c3ccccc3)nc2C)CC1 44892012 VIIKQOVTDNDKIT-UHFFFAOYSA-N 327.388 1.174 0 40 EDAB CNC(=O)Cn1cc(NC(=O)c2ccc(-c3ccco3)nc2C)cn1 69458269 AWDGVCARYKCAER-UHFFFAOYSA-N 339.355 1.845 0 40 EDAB CCc1ccc([C@@H](CNC(=O)NCc2nncn2CC)N(C)C)cc1 44950257 CUZSAJGKFQEACF-MRXNPFEDSA-N 344.463 1.963 0 40 EDAB CCc1noc([C@H](C)N2CCN(Cc3nnc(C4CC4)n3C)CC2)n1 69436432 DVIYBZRDZWIFJQ-LBPRGKRZSA-N 345.451 1.517 0 40 EDAB O=C(CCc1ccco1)NS(=O)(=O)N1CCOc2ccccc21 69417358 ZNSJKAIJQARXCO-UHFFFAOYSA-N 336.369 1.472 0 40 EDAB CC(C)c1nn(C)c(N2CCOCC2)c1CNC1CCC(O)CC1 58428895 JKDMNEQWYDSXLD-UHFFFAOYSA-N 336.480 1.773 0 40 EDAB NC(=O)c1ccccc1OCc1noc(C(=O)NC2CCCC2)n1 36360039 QNVOCYJXZSVUST-UHFFFAOYSA-N 330.344 1.420 0 40 EDAB CC(=O)N1c2ccc(S(=O)(=O)NC[C@H]3CCOC3)cc2C[C@@H]1C 48363459 IUBUVYGOJLOBIK-WCQYABFASA-N 338.429 1.299 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)N[C@H](C)c1ccc(F)cc1 11097351 IEYMJTSLCNUBOV-SFYZADRCSA-N 336.396 1.533 0 40 EDAB CC(=O)N[C@H](C)C(=O)O[C@H](C(=O)Nc1cc(C)on1)c1ccccc1 12803390 CBTLXUBNPUHXEZ-ABAIWWIYSA-N 345.355 1.731 0 40 EDAB C[C@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N1CCOCC1 45812390 FIVNUWFUAJRZLF-KGLIPLIRSA-N 345.443 1.933 0 40 EDAB COCCNC(=O)COc1ncnc2ccc(Br)cc12 3452763 FGNDTLZWIICQTP-UHFFFAOYSA-N 340.177 1.534 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)c1C 62514672 OXMVUBFDAULYCV-NHYWBVRUSA-N 327.384 1.989 0 40 EDAB COC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475959 FOZLPSYHVIGOMN-NSHDSACASA-N 344.433 1.147 0 40 EDAB CCN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)Cc1cccc(F)c1 13002459 XLHORINEVHMEPC-INIZCTEOSA-N 342.436 1.341 0 40 EDAB CCNC(=O)COc1ccc(CNC[C@H]2CCN(C3CC3)C2)cc1 69535425 XCLBNLZEWKUQTM-MRXNPFEDSA-N 331.460 1.775 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)NC3CCCCC3)CC2)cn1 69529464 UOHUOIPGPMAATB-UHFFFAOYSA-N 347.463 1.904 0 40 EDAB CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(=O)n(C)c1 69660863 GESWCCIYYBYDJM-UHFFFAOYSA-N 349.381 1.868 0 40 EDAB COc1ccc(CCC(=O)N[C@@H](C)[C@H](C)n2cncn2)cc1OC 69668989 HGFQVYUUIPWXGU-STQMWFEESA-N 332.404 1.994 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCc2ncn(C)n2)[C@H]1c1cccc(Cl)c1 91869492 KABSGOWLYXTGSD-SWLSCSKDSA-N 347.806 1.304 0 40 EDAB COc1ccc(CNC(=O)[C@@H](C)n2c(=O)oc3ccccc32)cn1 25008159 KHPHJPFHAVHDTK-LLVKDONJSA-N 327.340 1.876 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@H](n2ccnc2)C1 69778859 AHIAAFKMGAPWLW-MRXNPFEDSA-N 337.387 1.265 0 40 EDAB CCc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)sc1C 49725947 MHNJFQBTFKYPSV-OAHLLOKOSA-N 349.500 1.998 0 40 EDAB CSc1ccc(NC(=O)c2csc(S(N)(=O)=O)c2)cn1 69705255 PNRXOOPYXYUITP-UHFFFAOYSA-N 329.428 1.765 0 40 EDAB CN(C)c1ccc(CCNC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 69737599 KZKDIQGCGOLVOR-QGZVFWFLSA-N 340.427 1.821 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CCc3ccccn3)CC2)C1 69876682 HPWRMENOHCSVIE-IEBWSBKVSA-N 344.503 1.937 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC(Nc2cccnn2)CC1)n1cncn1 69899706 JQEJTNZCAFKMRL-HNNXBMFYSA-N 329.408 1.368 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 69842005 MOIDGTIOEFWGCG-CHWSQXEVSA-N 347.481 1.562 0 40 EDAB C[C@@H]1C[C@H](OC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)O1 60890012 JGHHBEQVRXWLDJ-ODSJRVHRSA-N 349.427 1.956 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)N[C@H](C)COCC(F)(F)F 65412224 QHNXJCHQPMHHEN-MRVPVSSYSA-N 349.309 1.883 0 40 EDAB O=C1CCCCCN1CCNc1ccc2nnc(C(F)(F)F)n2n1 65528590 NSIFLYFMFHBBDR-UHFFFAOYSA-N 342.325 1.958 0 40 EDAB C[S@](=O)c1ccc(C(=O)NCCC(=O)N2CCCCCC2)cc1 65517861 FNWWDKQAZLFPBQ-HSZRJFAPSA-N 336.457 1.947 0 40 EDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc(C2CC2)no1 65533330 UOBXOXTVEHEDCS-HNNXBMFYSA-N 340.383 1.537 0 40 EDAB Cc1noc([C@H](C)NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)n1 65501110 RESLQXKMEWEVLK-GXFFZTMASA-N 346.412 1.771 0 40 EDAB C[C@@H](COc1ccc(F)cc1)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O 69931511 YDKMSBCSIAPPRY-RYUDHWBXSA-N 346.424 1.668 0 40 EDAB COc1cccc(C(=O)CN2C(=O)COc3ccccc3C2=O)c1 6669630 RDAVKMSIGZIHOC-UHFFFAOYSA-N 325.320 1.939 0 40 EDAB C[C@@H]1CN(C2CCN(CC(=O)NC(C3CC3)C3CC3)CC2)CCO1 66562088 YFXUBCULHYXBIA-CQSZACIVSA-N 335.492 1.476 0 40 EDAB COC(=O)c1sc(N)c(C(=O)OC)c1CSc1ncccn1 6911597 KSHFUPUQXACWQE-UHFFFAOYSA-N 339.398 1.986 0 40 EDAB CC1CCN(C(=O)CN2CCC[C@@H]2C(=O)N2CCSCC2)CC1 67117529 VHHLNJCSDQLYFL-OAHLLOKOSA-N 339.505 1.285 0 40 EDAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCCN1CCOCC1 27975797 LUPMATVUUNRFDX-GOSISDBHSA-N 332.444 1.781 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C1CC1 7279005 XTXVAQRTGYYTTM-ZMZPIMSZSA-N 327.384 1.295 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306133506 MNKBAVIZRWNESR-OLZOCXBDSA-N 336.363 1.254 0 40 EDAB CCCCn1c(N)c(N(C)C(=O)c2cc(C)cc(C)c2)c(=O)[nH]c1=O 7799609 RWJZWQDQQLRPQW-UHFFFAOYSA-N 344.415 1.812 0 40 EDAB NC(=O)CCN(C(=O)COC(=O)c1ccc(O)cc1)c1ccccc1 16743004 PIFCICOYGWQOOA-UHFFFAOYSA-N 342.351 1.458 0 40 EDAB C[C@H](C(=O)NCCc1c[nH]c2ccc(Cl)cc12)S(C)(=O)=O 72302951 BTRUYDANLDLCLG-SECBINFHSA-N 328.821 1.913 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@H](C)c2c(C)nn(C)c2C)c1C 96427821 DEDWGMSDPQKSAC-SNVBAGLBSA-N 339.465 1.910 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]1c1cccs1 71871722 ZNGUROHSRCSPJZ-CHWSQXEVSA-N 331.445 1.608 0 40 EDAB CN(Cc1ccoc1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 71820724 FAZLMVCRJQLTHZ-HNNXBMFYSA-N 326.356 1.358 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2ccccn2)CC1 71820807 JZUXQCWHJXKUJV-UHFFFAOYSA-N 325.368 1.702 0 40 EDAB COc1cccc(CO[C@H](C)C(=O)NCCc2nnc3n2CCC3)c1 71906583 ROJGMISKKPYGBK-CYBMUJFWSA-N 344.415 1.497 0 40 EDAB O=C(CN1CCN(CC(F)(F)F)CC1)Nc1ccc(Cl)cn1 84429731 WNZBXFDHOWVTEY-UHFFFAOYSA-N 336.745 1.853 0 40 EDAB CN(C(=O)CNC(=O)OCC(F)(F)F)C1Cc2ccccc2C1 95394852 WDXZRLDCTYHSCL-UHFFFAOYSA-N 330.306 1.901 0 40 EDAB C[C@H]1CN(CCNC(=O)c2[nH]ncc2Br)C[C@H](C)O1 95395199 MWLSSLHGAQYILH-IUCAKERBSA-N 331.214 1.011 0 40 EDAB COc1ccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1-n1cnnn1 97081369 NVNKXVXAIHMMSS-ZIAGYGMSSA-N 327.388 1.933 0 40 EDAB O=S(=O)(Nc1nc2ccccn2n1)c1ccc(C(F)(F)F)nc1 97098447 JDBMYCDOQSMRQD-UHFFFAOYSA-N 343.290 1.944 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccnc(N2CCN(C)CC2)c1 72281059 NENBDDMIWDJQLA-CYBMUJFWSA-N 342.447 1.366 0 40 EDAB CN(C)c1ncccc1CNC(=O)c1cnn(-c2ccc(F)cc2)n1 72291621 PSFHOJREKFBMAZ-UHFFFAOYSA-N 340.362 1.797 0 40 EDAB CC[C@@H]1CN(Cc2cc(=O)n3cccc(C)c3n2)CCN1C[C@@H](C)O 84736480 OJWJREXTYAITAR-NVXWUHKLSA-N 344.459 1.280 0 40 EDAB CC(C)Cc1noc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)n1 95428250 VHRFDVFLCDSYKR-CJNGLKHVSA-N 333.436 1.947 0 40 EDAB Cc1ccc(-c2ocnc2C(=O)NCC(=O)Nc2cn[nH]c2)cc1 95401839 ZHAJXJHNPMRJNO-UHFFFAOYSA-N 325.328 1.742 0 40 EDAB C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCc2c(ncn2C)C1 75133166 FPFFZOQFRMNFRW-ZFWWWQNUSA-N 340.427 1.807 0 40 EDAB CN1CC[C@H](N(C)C(=O)c2cc(F)ccc2Br)C1=O 75143087 GPNUTRJVYMWFKB-NSHDSACASA-N 329.169 1.891 0 40 EDAB COCCn1ccc(=O)c(OCC(=O)Nc2cccc(C)n2)c1C 524733649 ZSRKIDRYKIOCOB-UHFFFAOYSA-N 331.372 1.524 0 40 EDAB CCOC(=O)c1nc(CC)oc1NC(=O)c1ccc2nnnn2c1 537903358 MNULMQZVALNEKQ-UHFFFAOYSA-N 330.304 1.104 0 40 EDAB COCCN(Cc1ccccn1)C(=O)c1cnn2ccc(C)nc12 72567274 LVWKOIGQEXFOOF-UHFFFAOYSA-N 325.372 1.722 0 40 EDAB O=C(NC[C@](O)(c1ccco1)C1CC1)[C@H]1COc2ccccc2O1 75154904 MXXKQGCVIXLWRR-CRAIPNDOSA-N 329.352 1.833 0 40 EDAB CCS(=O)(=O)C1(C(N)=S)CCN(Cc2ccccc2)CC1 217928529 UNDGIKJCTQDDEP-UHFFFAOYSA-N 326.487 1.742 0 40 EDAB CN(C)CCN1C[C@@H](C(=O)N2CC=C(c3cccs3)CC2)CC1=O 73797465 ZVPYBMAUQBIXTB-HNNXBMFYSA-N 347.484 1.774 0 40 EDAB Cc1nccn1Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 38854090 YQJBWRIHVRBSEV-UHFFFAOYSA-N 326.400 1.577 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2c(c1)C(=O)NC2=O 32747888 DPWJARGEPAZCLS-UHFFFAOYSA-N 337.291 1.117 0 40 EDAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(F)c2)CC1 72241923 RKKDHZDEKMZPFY-SJLPKXTDSA-N 347.434 1.899 0 40 EDAB Cc1nsc(N2CCCN(CC(=O)NC(C3CC3)C3CC3)CC2)n1 72801059 NTDRZNNJAKYGPX-UHFFFAOYSA-N 349.504 1.663 0 40 EDAB Cc1ccc(NC(=O)C(=O)NCCCN(C)C)c(Br)c1 42646414 GXKCFURWCBQTJE-UHFFFAOYSA-N 342.237 1.764 0 40 EDAB COc1ccccc1OCCNC(=O)C(=O)Nc1c(C)nn(C)c1C 49549878 QCTHZCXOZVFHET-UHFFFAOYSA-N 346.387 1.179 0 40 EDAB O=C(c1ccno1)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 85436067 LCYGAQVFZKUJBY-CQSZACIVSA-N 344.346 1.576 0 40 EDAB biogenic,in-vitro COc1ccccc1-c1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)[nH]n1 42383861 MXBQZEJLGXAXRD-LLVKDONJSA-N 349.412 1.250 0 40 EDAB O=C(COc1ccccc1F)NC[C@]1(O)CCOc2ccccc21 75158103 MFWQNXGOSLLZAU-GOSISDBHSA-N 331.343 1.991 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc(-c2cccs2)n[nH]1 42383720 NMGQFNOBLFXRNT-SECBINFHSA-N 325.415 1.303 0 40 EDAB CCc1cc(CNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)on1 96005483 CQZAFBYLHGJKEW-UHFFFAOYSA-N 341.433 1.057 0 40 EDAB C[C@H](NC(=O)[C@H](C)c1cc2ccccc2o1)C(=O)N1CCOCC1 96451202 IBOOESMCQWNCDY-OLZOCXBDSA-N 330.384 1.900 0 40 EDAB CC(C)N1CCO[C@@H]2CN(S(=O)(=O)c3cccs3)CC[C@@H]2C1 96249577 FLFRQZABNQEDKB-ZIAGYGMSSA-N 344.502 1.868 0 40 EDAB Cc1noc([C@@H]2CN(C(=O)c3ccoc3C)Cc3ccnn3C2)n1 96188856 JJHVNVMFBRMXRP-GFCCVEGCSA-N 327.344 1.916 0 40 EDAB O=C(c1ccco1)N1CC[C@H]2CO[C@H](CNc3ncccn3)[C@H]2C1 96185532 LASPRVKTHJUGJO-KCQAQPDRSA-N 328.372 1.659 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C2CCOCC2)C[C@H]2OCC[C@H]21 96064905 AUIAHAOEHJVISE-GVDBMIGSSA-N 334.416 1.412 0 40 EDAB CS(=O)(=O)N1CCCC12CCN(C(=O)c1ccsc1)CC2 96049357 VNZHYYQVKLBXBL-UHFFFAOYSA-N 328.459 1.778 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc(C(=O)O)n[nH]2)C1 1594310236 IJAKGEKGFREEMG-GFCCVEGCSA-N 346.362 1.954 0 40 EDAB Cc1ccoc1C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 96188564 XWODZPIZLOJEPV-AWEZNQCLSA-N 325.372 1.953 0 40 EDAB Cc1ccsc1CN1C[C@H]2OC[C@H](C(=O)Nc3cnccn3)[C@H]2C1 96216063 SPYPENFHWNCYGD-HZSPNIEDSA-N 344.440 1.932 0 40 EDAB COC[C@@H](C)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 97103866 VFRBZFPIIUWWSW-AWEZNQCLSA-N 344.452 1.805 0 40 EDAB O=C1NC(=O)[C@H](Cc2ccc(NC(=O)c3cc(Cl)ccn3)cc2)N1 91701097 SMSICJCTJBNPQM-ZDUSSCGKSA-N 344.758 1.738 0 40 EDAB Cc1oncc1C(=O)N1CCC2(CC1)CCN(c1ncccn1)C2 96157534 CHKBXCAVTRMHQZ-UHFFFAOYSA-N 327.388 1.906 0 40 EDAB Cc1cncc(C(=O)N2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c1 96108153 YGMXOHGKMMDANC-FUHWJXTLSA-N 341.411 1.956 0 40 EDAB Cc1nc(CN2CC[C@]3(COCCN([C@@H]4CCOC4)C3)C2)cs1 96070374 DSQPXAREROMCBL-SJORKVTESA-N 337.489 1.765 0 40 EDAB Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2cscn2)n1 97971521 FGBGGGZVFAAWFP-CABCVRRESA-N 342.424 1.862 0 40 EDAB C[C@H]1CN(C(=O)NCCOc2ccc(F)cc2F)CC[S@@](=O)C1 580937364 MIKRMINAVRWETR-BSNNYGBQSA-N 346.399 1.754 0 40 EDAB CN(C[C@@H]1CCCCN(C)C1=O)CC(C)(C)CN1CCOCC1 583651988 XQUKBGGONVNRMF-INIZCTEOSA-N 325.497 1.535 0 40 EDAB NC(=O)[C@@H](NC[C@@H]1CCOC1)c1ccc(Br)cc1F 96437012 MECLPLOUBUZSST-UFBFGSQYSA-N 331.185 1.741 0 40 EDAB CCS(=O)(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1csc(C)n1 248004011 CXJLPIXIBSHDNQ-CHWSQXEVSA-N 343.474 1.367 0 40 EDAB Cn1ccnc1CN1CC[C@H]2CO[C@H](CNC(=O)c3ccco3)[C@H]2C1 248090643 CFAPDKVJXGFSFZ-OFQRWUPVSA-N 344.415 1.280 0 40 EDAB CN1CC[C@H](COCC2CC2)CC12CN(C(=O)c1cnn(C)c1)C2 248130507 NAZFPXYZOJQOFP-HNNXBMFYSA-N 332.448 1.383 0 40 EDAB Cc1nccc(N2CCN(C(=O)NC3[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)CC2)n1 248735978 OXQIGYZECMZCMU-WMHQRMGPSA-N 327.432 1.661 0 40 EDAB Cc1nnc(-c2cccc(C(=O)NC[C@@H](C)N3CCOC[C@H]3C)c2)o1 248006277 HGBBTRODMQLHLW-CHWSQXEVSA-N 344.415 1.884 0 40 EDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)Cn2ccnc2C)n1 257243925 IJDKPWOCMHEEMP-QGZVFWFLSA-N 341.415 1.586 0 40 EDAB Cc1noc(C)c1CC(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257235112 GWMDXGYAJPEISN-SFHVURJKSA-N 344.415 1.377 0 40 EDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(C(=O)C2CCOCC2)C3)n1 253480229 VPJLPUWNIYXDLU-OAHLLOKOSA-N 347.415 1.350 0 40 EDAB CCN(CC)C(=O)CN1CCN(C(C)=O)C[C@@H]1c1ccccc1OC 257308137 TVOHEABJVLZISQ-QGZVFWFLSA-N 347.459 1.769 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)Cn2cccn2)C1 257307288 SYAQLGIFBOFFCX-GOSISDBHSA-N 346.406 1.118 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257287612 PQSJTPGUPBOJMS-ZHALLVOQSA-N 348.491 1.843 0 40 EDAB COCC1CN(S(=O)(=O)c2cc(Br)ccc2F)C1 585138056 LKKUCIKGCDDMSH-UHFFFAOYSA-N 338.198 1.855 0 40 EDAB Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)c2c(C)noc2n1 585130217 KNOPZVKKZCGGNX-RISCZKNCSA-N 331.420 1.204 0 40 EDAB O=C(c1ccc(=O)[nH]n1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 253401894 NRMJSWOTZGURKM-SECBINFHSA-N 343.368 1.511 0 40 EDAB CN(C)Cc1cn(-c2ccccc2C(=O)NC[C@@H]2CCCO2)cn1 257225841 FICSBVVKNJWERA-HNNXBMFYSA-N 328.416 1.843 0 40 EDAB C[C@]1(O)CCN(C(=O)CCC(=O)O)C[C@@H]1Oc1cccc(F)c1 257293826 QRICEAHAGOTEQO-BBRMVZONSA-N 325.336 1.421 0 40 EDAB COc1ccccc1[C@@H]1CN(S(=O)(=O)c2cccnc2)CCN1C 257282289 OTDWFRGOWLPXOK-INIZCTEOSA-N 347.440 1.768 0 40 EDAB COC(=O)c1cccc(-c2noc(CN3CCCC[C@H](O)C3=O)n2)c1 591651314 OGHPKWNSLWGLBQ-ZDUSSCGKSA-N 345.355 1.397 0 40 EDAB CCn1cc(Br)c(C(=O)NCCc2cn(C)cn2)n1 1615612300 DZVVCGSQRVODFT-UHFFFAOYSA-N 326.198 1.372 0 40 EDAB Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccc(F)s2)cn1 597555418 QDSFJMNECXBLGS-CHNSCGDPSA-N 327.406 1.567 0 40 EDAB O=S1(=O)CCC[C@H](NS(=O)(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 1614994078 AALMMXGSANHGDF-BFHYXJOUSA-N 329.443 1.039 0 40 EDAB Cc1csc(CN(C[C@@H]2CCCO2)C(=O)c2cc3n(n2)CCO3)n1 1615539295 WWSBVOOBWHJKIA-LBPRGKRZSA-N 348.428 1.862 0 40 EDAB O=C(N[C@@H]1C[C@H]1C(F)(F)F)N1CCCS(=O)(=O)C[C@@H]1C1CC1 1615553974 OOWVMNHSMBEQSA-GMTAPVOTSA-N 340.367 1.546 0 40 EDAB O=C(Nc1cc(-n2cncn2)ncn1)c1cc(-c2ccccc2)on1 96025251 YOPIQPGUNNVVHB-UHFFFAOYSA-N 333.311 1.965 0 40 EDAB CC(=O)c1sc(NC(=S)N[C@H]2C=CS(=O)(=O)C2)nc1C 575423397 PWWXSLHQLLKMKJ-QMMMGPOBSA-N 331.444 1.251 0 40 EDAB CN(C)CCC(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 575403952 JFDGCGFGGASQHO-OAHLLOKOSA-N 342.505 1.468 0 40 EDAB O=C(C[C@H]1OCCc2ccccc21)N[C@H](Cc1ccncc1)C(=O)O 655599774 YJJJXQDMDILLEP-IAGOWNOFSA-N 340.379 1.898 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)Cc1c(C)nc2ccccn12 585278693 QWGURPOOEODVME-SFHVURJKSA-N 344.415 1.068 0 40 EDAB COc1ccccc1OCC(=O)N1CCN(c2cnsn2)CC1 585149072 ZKEMEXXRQRXFBF-UHFFFAOYSA-N 334.401 1.274 0 40 EDAB CCn1cc(C(=O)NC[C@H]2CC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cn1 585284522 JECFFMTZQKIICK-CSMYWGQOSA-N 347.390 1.990 0 40 EDAB CN1C[C@H](CO)CC12CN(S(=O)(=O)c1cccc(Cl)c1)C2 585093878 MIVCOKNBDXZOMI-LLVKDONJSA-N 330.837 1.027 0 40 EDAB COc1ccccc1N1CCC(NCc2c[nH]c(=N)[nH]c2=N)CC1 585141757 ZYVBKHJLYMEUTD-UHFFFAOYSA-N 328.420 1.069 0 40 EDAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)Nc1nccs1 47327530 ULXMODUDDFYVAZ-UHFFFAOYSA-N 327.369 1.778 0 40 EDAB COCCN1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 48427548 GLIRJYDWXBDYTP-UHFFFAOYSA-N 328.416 1.871 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@H](C)C(=O)N(C)Cc3ccccc3)CCO2)n1 107054891 JJRLXVMJTRABBI-CJNGLKHVSA-N 343.431 1.534 0 40 EDAB COc1nn(C)cc1C(=O)NCCn1nc(C2CC2)cc1C1CC1 585299958 CQNMXUPCNSHWRS-UHFFFAOYSA-N 329.404 1.810 0 40 EDAB O=C(O)C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)CCO1 91293117 LDWQHIDDPYSWTQ-LLVKDONJSA-N 346.152 1.904 0 40 EDAB CCC(=O)N1CCC[C@@H](n2nncc2I)C1 1616038091 HCSNBEFMINBSFM-MRVPVSSYSA-N 334.161 1.456 0 40 EDAB CC(C)N(CCO)CC1CCN(C(=O)N2CCSCC2)CC1 1616036037 LQADEIHQPMSKEG-UHFFFAOYSA-N 329.510 1.570 0 40 EDAB CS(=O)(=O)N1CCC(n2nc3c(cc2=O)CCCCC3)CC1 12232771 VKMBCVJBODXRQL-UHFFFAOYSA-N 325.434 1.109 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(O)(Cn2ccc3ccncc32)CC1 13268165 WZVVLMFCQIYJFM-MRXNPFEDSA-N 329.400 1.569 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)C(C)C)[C@H]3C2)cc1 19211695 RQYBNSOLOWFVKI-KBMXLJTQSA-N 336.457 1.776 0 40 EDAB O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccccc1F 206726273 FIAMPUKVHSBUFK-UHFFFAOYSA-N 336.392 1.694 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)NCc1nnc2ccc(Cl)cn12 585127433 AFUTVEMWRKFPGK-CMPLNLGQSA-N 338.795 1.583 0 40 EDAB CCn1nccc1C(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 390829159 DDSVSVKFWIPJOY-SECBINFHSA-N 342.325 1.549 0 40 EDAB Cc1ccnc(N2C[C@@H]3CN(Cc4nc(C(C)C)no4)C[C@@H]3C2)n1 1888843430 NKAQJIWIFWZHSS-OKILXGFUSA-N 328.420 1.860 0 40 EDAB Cc1nc(N2CCC(N(C)S(C)(=O)=O)CC2)c2ccncc2n1 1888854085 NAGDEVJDNSFZCD-UHFFFAOYSA-N 335.433 1.193 0 40 EDAB Cc1ccc(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1F 21927309 FRZKWZXKYCDBSK-UHFFFAOYSA-N 335.423 1.807 0 40 EDAB C[C@@H](CNC(=O)COCc1nc2ccccc2s1)N1CCOCC1 29959437 WVTJITQQMMHKOI-ZDUSSCGKSA-N 349.456 1.650 0 40 EDAB Cc1cnc(OC[C@@H]2CCCN(c3ncnc4c3cnn4C)C2)nc1 1776001072 YAKQXFRAEYKJHQ-CYBMUJFWSA-N 339.403 1.757 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2ccc(O[C@@H]3CCOC3)nc2)CC1 253472836 QAIWBOFSQKJRTR-CQSZACIVSA-N 349.387 1.164 0 40 EDAB CCCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCC1 4304892 YLOKVMUURRVTBP-UHFFFAOYSA-N 335.429 1.842 0 40 EDAB CCNC(=O)C[C@@H]1C(=O)N(c2ccc(OC)cc2)C(=O)N1CCOC 4593363 DNQYSKDCYDKPMD-CQSZACIVSA-N 349.387 1.005 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)NCc1cn(-c2ccsc2)nn1 575619426 SVZKEOISQBDTJW-UHFFFAOYSA-N 342.380 1.916 0 40 EDAB COc1ccc(N2C(=O)C[C@H](NCc3cccc(N)c3)C2=O)cc1 103719732 QEIGLABKXJJMFR-INIZCTEOSA-N 325.368 1.699 0 40 EDAB O=C(NCCOc1ccc(F)cc1)c1cccnc1N1CCOCC1 30481029 WWFSJLOLOVAKMW-UHFFFAOYSA-N 345.374 1.866 0 40 EDAB C[C@]1(NC(=O)CCC(=O)c2ccc(F)cc2)CCS(=O)(=O)C1 30998104 XVZFWPXDNHPVQY-HNNXBMFYSA-N 327.377 1.482 0 40 EDAB O=C(c1nc2ncccn2n1)N1CCN(Cc2ccc(F)cc2)CC1 20614131 MLTXFDYJTDHUSQ-UHFFFAOYSA-N 340.362 1.221 0 40 EDAB COc1c(C)cnc(CN2CCN(Cc3nccn3C)CC2)c1C 69508176 BDBXZCDUSLMYRU-UHFFFAOYSA-N 329.448 1.758 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CO3)no1 76044020 CYZCOKOAADHFFM-LBPRGKRZSA-N 342.355 1.940 0 40 EDAB O=C(NCC(=O)N1CCCC1)C(=O)Nc1cc(F)ccc1Cl 69508821 QKVYSWBRCJJJPQ-UHFFFAOYSA-N 327.743 1.156 0 40 EDAB COc1cc([C@H](C)[C@H](C(=O)O)C(=O)C(=O)O)cc(OC)c1OC 1594996 DLBCTFGHLRLHQU-CPCISQLKSA-N 326.301 1.170 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)CCn3nc(C)cc3C)CCO2)n1 78888833 XZGQXKYTBXWQFU-ZDUSSCGKSA-N 332.408 1.171 0 40 EDAB COc1ccc(C(=O)n2nc(C)c(C(N)=O)c2N)cc1OC(F)F 79106429 HVOOQNLGBPYAMN-UHFFFAOYSA-N 340.286 1.171 0 40 EDAB Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCN2CCC[C@H]2C1 2778328 WMIFCTWMBNPSCH-LBPRGKRZSA-N 330.354 1.907 0 40 EDAB O=C(CNC1CC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 6940538 RGEBAMLHCYZKGH-UHFFFAOYSA-N 337.445 1.552 0 40 EDAB CC[C@H](CNC(=O)c1ccc(=O)n(CCOC)n1)c1ccccc1 21931918 DBTXUYVPICQGOT-CQSZACIVSA-N 329.400 1.813 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@@H]1CC(c2ccccc2)=NO1 33165642 OSYWVAHELLMVNV-HNNXBMFYSA-N 334.339 1.794 0 40 EDAB CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 10146580 XIDFENIDMWCXGK-INIZCTEOSA-N 332.425 1.631 0 40 EDAB Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccncc1 523650 SQGKZLUUCLRXJM-UHFFFAOYSA-N 344.375 1.924 0 40 EDAB Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1 523880 LZENZUSUPGZTPL-UHFFFAOYSA-N 344.375 1.924 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)c1C 541841 JXHXQGHZULGFSO-GOSISDBHSA-N 342.351 1.831 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(O)cc2)NC(=S)N1 8690356 UEOPPCJZBYLTCH-CQSZACIVSA-N 333.413 1.044 0 40 EDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc[n+]([O-])c1 103909402 CGQGCISCVMPVHV-MBNYWOFBSA-N 349.387 1.127 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)COc2cccc(Oc3ccccn3)c2)C1 53893879 KOHGFYGMQWENOY-CYBMUJFWSA-N 341.367 1.587 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)C[C@@H](C)n3cccc3)CC2)n1 69625433 FULKPQCXXVPWHZ-OAHLLOKOSA-N 343.431 1.895 0 40 EDAB COc1ccc(NC(=O)NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)cn1 47524121 IHRLKQVQVTXRKZ-RYUDHWBXSA-N 336.392 1.238 0 40 EDAB NC(=O)CSCCC(=O)N1CCN(Cc2ccccc2F)CC1 23081294 YISLAVIKEJUOMI-UHFFFAOYSA-N 339.436 1.079 0 40 EDAB O=C1C[C@@H](C(=O)N2CCN(C3CCCC3)CC2)CN1Cc1ccco1 34915977 FCZKSEIGJPUCRW-OAHLLOKOSA-N 345.443 1.715 0 40 EDAB Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)NC3)c1 107350261 CSDOPROIVADEGU-GFCCVEGCSA-N 337.379 1.995 0 40 EDAB CCOC(=O)N[C@@H](C(=O)c1ccc(C)cc1)n1cc(F)c(=O)[nH]c1=O 35681917 DORCZGMEBOHZGV-CYBMUJFWSA-N 349.318 1.112 0 40 EDAB CC(C)CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)C1CC1 27110585 WLIJWYVLYTWIFM-MRXNPFEDSA-N 331.416 1.386 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc(Cl)c2c(c1)OCO2 44719851 CDAHXMWDTBHYCE-MRVPVSSYSA-N 331.777 1.233 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccco1 44868910 FSWVYVUJRNCGBB-ZDUSSCGKSA-N 329.356 1.643 0 40 EDAB CCOc1cccc([C@@H](C)NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c1 58200878 OSRQUNDLFUMCJU-LLVKDONJSA-N 345.399 1.580 0 40 EDAB Cn1c(=S)c2nc(SCCN3CCCC3)[nH]c2n(C)c1=O 100132706 KLAIFKHPSDRWRR-UHFFFAOYSA-N 325.463 1.517 0 40 EDAB in-vitro COc1ccc(S(=O)(=O)NC2CCN(C(C)=O)CC2)cc1F 44933977 PKPRJPPSEBFQDT-UHFFFAOYSA-N 330.381 1.124 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccccc2S(C)(=O)=O)n1 44953381 UWBUGISDWBNUSQ-LBPRGKRZSA-N 349.456 1.970 0 40 EDAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58341349 FPALAHVOIWLDCA-PIGZYNQJSA-N 335.379 1.898 0 40 EDAB COC(=O)c1cccc(C(=O)NCc2ccc(-n3cncn3)cc2)n1 58334861 FDPDUMJWSPCRGH-UHFFFAOYSA-N 337.339 1.379 0 40 EDAB C[C@@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1ccc2[nH]c(=O)[nH]c2c1 58328996 JNUVQTOHXHZJLC-LLVKDONJSA-N 348.366 1.928 0 40 EDAB Cc1cc(C(=O)N2CCN(c3cnccn3)CC2)nn1C(C)(C)C 45057347 BGDACPCQIBSWCF-UHFFFAOYSA-N 328.420 1.699 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)N1 45037621 COKNZENSHCWOPA-NXEZZACHSA-N 347.337 1.556 0 40 EDAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccc(C)o2)NC(=O)N[C@@H]1C 22864149 VKUPEGSRTPAUNA-WSKFYRRCSA-N 348.355 1.663 0 40 EDAB COc1ccc(CN2CCO[C@H](CNC(C)=O)C2)c(Cl)c1OC 179718107 KRCKTLPUCLRCDD-CYBMUJFWSA-N 342.823 1.694 0 40 EDAB CS(=O)(=O)c1ccc(Oc2cccnc2)c(S(C)(=O)=O)c1 48374636 APTLKPOZTWDROB-UHFFFAOYSA-N 327.383 1.681 0 40 EDAB COc1cc(OC)c(NC(=O)CN2NC(=O)C[C@@H]2C)cc1Cl 12801815 XHAYTJAKOKIWDX-QMMMGPOBSA-N 327.768 1.421 0 40 EDAB Cc1cnc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)s1 29279739 RFKCYTKDTSSHAK-GFCCVEGCSA-N 347.375 1.649 0 40 EDAB COc1ccccc1N(CCC(N)=O)C(=O)CN1C[C@@H](C)O[C@H](C)C1 12983909 OEORRVCFMBVOGM-ZIAGYGMSSA-N 349.431 1.013 0 40 EDAB O=C(NCC1CCCC1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 69897821 OZOQITOVPGULIH-UHFFFAOYSA-N 331.294 1.639 0 40 EDAB COc1ccc(Cc2nnc(NC(=O)[C@H]3CCC(=O)N3)s2)cc1 69813949 BRPPBVRDWGFNFB-LLVKDONJSA-N 332.385 1.355 0 40 EDAB C[C@@H]1CN(Cc2nnnn2C2CC2)CCN1C[C@H](O)c1ccccc1 69840543 GITMWPVYQOSZFT-PBHICJAKSA-N 342.447 1.248 0 40 EDAB CCCS(=O)(=O)N1CCC(C(=O)NCCCOC(C)C)CC1 4077683 OUBGJZLLSKOQKO-UHFFFAOYSA-N 334.482 1.370 0 40 EDAB CCOC(=O)c1ccsc1NC(=O)C(=O)NC[C@H]1CCCO1 69973727 GDPIAZZZASRIMZ-SECBINFHSA-N 326.374 1.159 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@H]2CSCN2C(C)=O)C1 69919389 OIEZCQXKIWFESK-UONOGXRCSA-N 336.461 1.530 0 40 EDAB CCN(CC(=O)O[C@H](C)C(=O)NC(N)=O)Cc1ccc(Cl)cc1 69974904 DEIGOFSHCFXNRP-SNVBAGLBSA-N 341.795 1.289 0 40 EDAB COc1cc(C(=O)NC2(c3nnn[nH]3)CC2)sc1Br 97105262 YAPMYQKRJJNWJV-UHFFFAOYSA-N 344.194 1.451 0 40 EDAB O=C(OCC(=O)N1CCNC1=O)c1ccccc1Br 5059106 GWEXAUNUEBVQDW-UHFFFAOYSA-N 327.134 1.158 0 40 EDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 8889865 OZJKOEKWKJMCSI-KRWDZBQOSA-N 331.372 1.085 0 40 EDAB CCOc1ccccc1-c1noc(CN2CCN(C(C)=O)CC2)n1 14083229 KXPBAVUBUGKTEY-UHFFFAOYSA-N 330.388 1.799 0 40 EDAB Cc1ccc2cc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)[nH]c2c1 65548202 RSGKCOQBKSIKEG-UHFFFAOYSA-N 326.356 1.291 0 40 EDAB CCCN1C(=O)/C(=C\NNC(=O)C2CCCCC2)C(O)=NC1=S 23425130 IYBPQJNKMIVZLW-LUAWRHEFSA-N 338.433 1.565 0 40 EDAB O=C(CN(c1ccccc1)C1CCCC1)N[C@H]1CCS(=O)(=O)C1 66567232 KJUNFLQFYMEFCR-AWEZNQCLSA-N 336.457 1.739 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)CNC(=O)c2ccccc2)[C@@H]1C 5716945 BVMPKVBRIVFGKC-FMKPAKJESA-N 346.427 1.901 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]([C@@H](C)O)C1 96009973 VXAFVLWHLPKCQI-HUUCEWRRSA-N 343.493 1.937 0 40 EDAB CC[C@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 7814170 PPDACTYFAUGPQV-WCQYABFASA-N 328.409 1.894 0 40 EDAB O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ncccn2)CC1 7983102 YBYNWQZLRYHRBS-UHFFFAOYSA-N 338.820 1.641 0 40 EDAB CC(=O)N1CCN(C(=O)COC(=O)c2ccc(OC(C)C)cc2)CC1 8073757 RFJQEKNBKWIMNA-UHFFFAOYSA-N 348.399 1.321 0 40 EDAB O=C(NCC1CC1)c1cn2c(nc1=O)C[C@]1(CCN(CC3CC3)C1)C2 306132400 LHQNGSDFNCJHJU-IBGZPJMESA-N 342.443 1.041 0 40 EDAB O=C([C@H](c1cccc(F)c1)N1CCOCC1)N1CCc2[nH]ncc2C1 96426184 QKFVFBGIFJJXPD-KRWDZBQOSA-N 344.390 1.507 0 40 EDAB COCCN(Cc1cccnc1)C(=O)[C@@H]1CCCN1C(=O)C1CC1 71888873 JVXQCYZMDPFJSC-INIZCTEOSA-N 331.416 1.458 0 40 EDAB NC(=O)CN1CCCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1 71829256 VZTXZLCSAFJEJR-UHFFFAOYSA-N 348.834 1.314 0 40 EDAB CCN1CCC(N(C)C(=O)Cn2cnc3c(C)cccc3c2=O)CC1 71853850 MJTOIDXOEGWIFM-UHFFFAOYSA-N 342.443 1.648 0 40 EDAB CC(C)CN(CCN(C)C)C(=O)CCn1ncc(=O)c2ccccc21 71853857 LWGSZAKZGZKFJF-UHFFFAOYSA-N 344.459 1.833 0 40 EDAB Cc1ccc(OC[C@@H](O)CN[C@H]2CCCN(c3cccnn3)C2)cc1 71859687 PWNYCYUTHGOXCI-IRXDYDNUSA-N 342.443 1.783 0 40 EDAB C[C@@H](CNC(=O)c1csc(-c2cnn(C)c2)n1)CN1CCOCC1 71915565 KPGWGJCUXTZOJN-LBPRGKRZSA-N 349.460 1.242 0 40 EDAB CC(C)CNC(=O)CN1CCc2ccc(S(=O)(=O)N(C)C)cc21 71909069 KQZBUXWRMOIVOU-UHFFFAOYSA-N 339.461 1.072 0 40 EDAB CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@@H](C)COC)c1 71920086 WELRINKBCYVTDK-NSHDSACASA-N 329.422 1.995 0 40 EDAB CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CC2)c1 9738737 JSTLFGYSAXBWAR-VIFPVBQESA-N 333.344 1.179 0 40 EDAB CCOc1ccc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)nn1 97082571 OIFPPKYLLAJLHT-SNVBAGLBSA-N 332.326 1.770 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)NCc1ccccc1N1CCCCC1 97049681 ITOJEQLNAINVHT-AWEZNQCLSA-N 330.432 1.707 0 40 EDAB COc1cccc2c1OC[C@H](C(=O)N1CCC[C@H](n3cncn3)C1)C2 72235098 KHHMOMUOOYPMNU-CABCVRRESA-N 342.399 1.702 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1cccc(CN2CCOCC2)c1 72277452 QANSSEPUPOJORZ-KRWDZBQOSA-N 340.427 1.460 0 40 EDAB C[C@@](O)(CN1CCO[C@H](CNc2cccnn2)C1)c1ccccc1 84638271 FBEKWWQNHPYBMC-SJLPKXTDSA-N 328.416 1.497 0 40 EDAB C[C@@H](C[C@H](O)c1ccco1)NS(=O)(=O)N(C)C1CCOCC1 95462049 ZUCRXNYAXPOYQS-AAEUAGOBSA-N 332.422 1.037 0 40 EDAB O[C@H](COc1cc(F)cc(Br)c1)CN1CCOCC1 95974934 HJRAJIVWEYRJOU-LBPRGKRZSA-N 334.185 1.660 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(N(C)C)cc1 9948436 HGTRFCFXRIRSIV-QMMMGPOBSA-N 333.421 1.221 0 40 EDAB Cc1nc(C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n[nH]1 89532506 HOSFPKLWLXBBRN-UHFFFAOYSA-N 325.394 1.286 0 40 EDAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ncoc3C)ccc21 89556278 ZCSCUWDAGCPNCJ-UHFFFAOYSA-N 349.412 1.761 0 40 EDAB COCCN(CC(=O)N(C)C)[C@H](C)C(=O)Nc1cccc(Cl)c1 75141991 UVSPPLMGZAAAHJ-GFCCVEGCSA-N 341.839 1.704 0 40 EDAB O=C(O)c1ccc(CCNC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 75117644 KVRVJLYERDUJIH-UHFFFAOYSA-N 344.411 1.692 0 40 EDAB CC(=O)NCC(=O)NCC(=O)Nc1cccc(N2CCCCCC2)c1 75145265 OHFPJLCPTZXGDD-UHFFFAOYSA-N 346.431 1.258 0 40 EDAB CCOC[C@@H]1CCN(C)C2(C1)CN(c1cc(C)nc3ncnn13)C2 306144030 YTWQHIADPWGLTB-CQSZACIVSA-N 330.436 1.370 0 40 EDAB O=C(O)[C@@H](NS(=O)(=O)CC1CC1)c1ccccc1Br 547873188 XBMFZEOMDVZTES-NSHDSACASA-N 348.218 1.904 0 40 EDAB CC(C)n1cc(CN2C[C@H]3OC[C@@H](CNC(=O)N(C)C)[C@H]3C2)cn1 306137542 QZIOOOFUOBYTDP-BZUAXINKSA-N 335.452 1.182 0 40 EDAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(C)CC1 56994430 BPLFIFHMLWJEPS-UHFFFAOYSA-N 332.379 1.798 0 40 EDAB CN1CCN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)CC1(C)C 1551543122 RWCLQGWCBMQBSD-ZIAGYGMSSA-N 334.386 1.264 0 40 EDAB CN(C)c1cccc(C(=O)N[C@@H]2CCCN(Cc3nncn3C)C2)c1 1009328895 QEWFYWRYKLCTOW-OAHLLOKOSA-N 342.447 1.276 0 40 EDAB CCCC[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 2105933 SJPWLEQTADXRJD-CYBMUJFWSA-N 333.340 1.931 0 40 EDAB biogenic COCc1cccc(C(=O)N2CCN(Cc3noc(C)n3)CC2)c1 79001504 ALDDVLXUHYGMFN-UHFFFAOYSA-N 330.388 1.482 0 40 EDAB Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)c1scnc1C(=O)O 566172204 ATBNLIMLJQCZOW-LURJTMIESA-N 345.402 1.528 0 40 EDAB NC[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218158503 RVWGLINPBOCBGU-KBRIMQKVSA-N 331.393 1.930 0 40 EDAB CC(C)CNC(=O)C[S@@](=O)Cc1nc(-c2ccc(F)cc2)no1 79324525 HHYFDIKYSVMUPN-QHCPKHFHSA-N 339.392 1.897 0 40 EDAB COCc1nc2ncc3c(=O)n([C@@H](CC(C)C)C(=O)O)ccc3n2n1 72466534 DXRXRRHVAVODDE-LBPRGKRZSA-N 345.359 1.257 0 40 EDAB COCCS(=O)(=O)N1CCN([C@@H](C)c2ccccc2F)CC1 79097909 VYZHJYJSEDGUIX-ZDUSSCGKSA-N 330.425 1.481 0 40 EDAB CNC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)cc1 72239567 XGXZONZCZXHOQL-HNNXBMFYSA-N 341.367 1.769 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)ccc1C(=O)O 314604590 DKBSCXQNVZEGKA-LBPRGKRZSA-N 326.374 1.056 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)n1)Nc1ccccc1F 224220087 PIXHXBFVAMZQQQ-UHFFFAOYSA-N 331.351 1.774 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 222438782 GXSBDFGSOBTNIJ-DSZLRUIBSA-N 336.413 1.335 0 40 EDAB CN(c1cc(C(=O)N2CCOCC2)ccc1Cl)S(C)(=O)=O 225974181 NGSXILNUBHPNAJ-UHFFFAOYSA-N 332.809 1.208 0 40 EDAB Cc1cc(NC(=O)NCC2(C)OCCCO2)n(-c2ccccn2)n1 192184484 FUOUTLHNLHWXFJ-UHFFFAOYSA-N 331.376 1.850 0 40 EDAB Cc1c(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)nnn1C 573663796 YUTBOGOYRVBSSQ-GFCCVEGCSA-N 333.779 1.769 0 40 EDAB O=C(O)CNS(=O)(=O)c1ccc(Cl)c(Br)c1 225767378 YGKWLSGWUATQSA-UHFFFAOYSA-N 328.571 1.465 0 40 EDAB C[C@@H]1CCCc2nc(S(=O)(=O)Nc3cnn(C)c3C(=O)O)cn21 576568575 WBPMURDRHCNYIZ-MRVPVSSYSA-N 339.377 1.013 0 40 EDAB Cc1oncc1C(=O)N1CC[C@@H]2O[C@@H](COCCN(C)C)CC[C@@H]21 96186678 AWYQIFYOCLSHON-KBMXLJTQSA-N 337.420 1.323 0 40 EDAB COc1ccc(-c2nn(CC(=O)N3CCCC3)c(=O)cc2OC)cc1 96183157 LDCVAJXDKOVSFH-UHFFFAOYSA-N 343.383 1.550 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NCc2ccc(N3CCCC3)nc2)C1 95412222 QNTPEGRXURFDGX-OAHLLOKOSA-N 338.477 1.195 0 40 EDAB COc1cc(N2C[C@@H]3COC[C@]3(COc3cccnc3)C2)ncn1 96108828 MGBQSRYXGMJQGT-DYVFJYSZSA-N 328.372 1.412 0 40 EDAB COc1cc(N2C[C@@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)ncn1 96065981 IGPCZEOQNGQCID-IOASZLSFSA-N 346.362 1.835 0 40 EDAB Cc1nn(C)c2sc(C(=O)NCCCNC(=O)C3CCC3)cc12 96451686 SQQJRWZSFOEAOE-UHFFFAOYSA-N 334.445 1.979 0 40 EDAB Cc1noc(C[C@]23COC[C@H]2CN(C(=O)Cc2cccs2)C3)n1 96218298 YFZDNLXFRGHNER-WBMJQRKESA-N 333.413 1.700 0 40 EDAB C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2F)[C@@H]1C(=O)O 1594433371 ZLNAEOXHSFXYTD-KGFZYKRKSA-N 349.311 1.147 0 40 EDAB COCCO[C@H]1CCN(Cc2cccnc2)[C@H]1Cc1cnn(C)c1 96200645 HUDLOZNMZYNESH-ROUUACIJSA-N 330.432 1.664 0 40 EDAB CNC(=O)/C=C/CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 618254203 PEJLFTNDXCUUKP-ISZGNANSSA-N 329.400 1.075 0 40 EDAB COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccccc3F)C[C@@H]2C1 96245459 RABHZDVKGUUOHM-GASCZTMLSA-N 334.391 1.669 0 40 EDAB Cn1cc(N2C[C@@H](C(=O)NCc3ccccc3Cl)CC2=O)cn1 96192253 CYXVRCQEPYIHRT-LBPRGKRZSA-N 332.791 1.743 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2COC[C@]2(COCc2csc(C)n2)C1 96108924 ZDRZLHYFBUHUQV-OCCSQVGLSA-N 346.474 1.266 0 40 EDAB CN1C[C@@H]2CN(Cc3ccc4c(c3)OCO4)CCC[C@]2(C(=O)O)C1 96185150 DZSOWZKLFYTJDT-KDOFPFPSSA-N 332.400 1.644 0 40 EDAB COCc1cccc(CC(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)c1 583617799 STNZJMZGLWTCRZ-QGZVFWFLSA-N 330.388 1.004 0 40 EDAB c1ccc(CN2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)nc1 96052074 RYNNEYGXEHNJQA-SJLPKXTDSA-N 328.416 1.586 0 40 EDAB O=S(=O)(C1CC1)N1CCC2(CC1)CO[C@@H](COCC1CC1)C2 96106031 YLEVGLDYEGINPB-CQSZACIVSA-N 329.462 1.776 0 40 EDAB CS(=O)(=O)Nc1cnc(N2CCOCC2)c(Br)c1 252483071 DTZNFLARQIPBEN-UHFFFAOYSA-N 336.211 1.052 0 40 EDAB COc1ncc(CN2CCO[C@H](CCc3ccnc(N)c3)C2)cn1 257334615 YGRLVCFQQWSZQI-OAHLLOKOSA-N 329.404 1.296 0 40 EDAB COCCOc1ccc(CC(=O)N[C@H](CO)c2ccccn2)cc1 585087645 BCLSIUKNXIKWSJ-QGZVFWFLSA-N 330.384 1.499 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCCCCO)C1 585134018 AVZBKWVAGRGISS-MRXNPFEDSA-N 330.425 1.027 0 40 EDAB Cn1cnnc1[C@@H](CO)Nc1ncnc2sc3c(c12)CCCC3 585132706 NLFILXFQHQFPKG-SNVBAGLBSA-N 330.417 1.844 0 40 EDAB COCCOc1cccc(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)c1 585130603 WCXJEEMBDZNXST-PBHICJAKSA-N 335.448 1.076 0 40 EDAB CC1(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CC1 585130395 OWWJQALDYQYAML-NEPJUHHUSA-N 348.365 1.861 0 40 EDAB O=C(CCn1ccccc1=O)NCc1ccnc([C@H]2CCCOC2)n1 257331306 XSHGZIVCVHYLTL-AWEZNQCLSA-N 342.399 1.239 0 40 EDAB CC(=O)N1CCC(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)CC1 257341806 ZMBHKAFRIHPMTC-HNNXBMFYSA-N 346.431 1.245 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)CCn3ccccc3=O)CCO2)nc(C)n1 257202922 ANWZFIGZWYVGTR-INIZCTEOSA-N 342.399 1.245 0 40 EDAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)CCOCc1ccccc1 263166652 KEHVYYLKZLAXFV-AWEZNQCLSA-N 327.402 1.472 0 40 EDAB COc1ccc(O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1OC 267478374 XGYNDXWKGODSRW-GFCCVEGCSA-N 336.388 1.162 0 40 EDAB CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cnnn1C 282744596 VWBNITXVOASMNJ-UHFFFAOYSA-N 328.420 1.589 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(C)C)c(F)c1 390835452 ODBFNQBOUGIFME-AWEZNQCLSA-N 336.363 1.599 0 40 EDAB COc1ccccc1S(=O)(=O)NCc1cn(-c2ccncc2)nn1 575414417 IUXMKAZEPOXSLD-UHFFFAOYSA-N 345.384 1.149 0 40 EDAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2ccco2)C1 575402530 BOEJKTQWDZHPLZ-OAHLLOKOSA-N 330.388 1.722 0 40 EDAB O=S1(=O)CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 44457629 NIMWVFVCQVIEHN-LBPRGKRZSA-N 343.470 1.278 0 40 EDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2onc(Cl)c2c1 585142198 RFTNHPVFVJOXJX-ZETCQYMHSA-N 331.781 1.284 0 40 EDAB Cc1onc(-c2ccccc2)c1C(=O)NCC1(C(N)=O)CCOCC1 52742665 FHRYMKAMQGHDFR-UHFFFAOYSA-N 343.383 1.662 0 40 EDAB CC(C)N(CCCNC(=O)c1cc(C2CC2)on1)S(C)(=O)=O 58393878 FECUCPNCNRNKLL-UHFFFAOYSA-N 329.422 1.342 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(C(=O)NC)c1C 62386862 XXUZFJPAIWWFJN-PWSUYJOCSA-N 334.420 1.779 0 40 EDAB CN(C)C(=O)CN1CCC(NC(=O)c2nccc3ccccc23)CC1 68573827 XGXMOLBTVPBEET-UHFFFAOYSA-N 340.427 1.517 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(N3CCCOCC3)CC2)cc1 584908861 YCCBZHCKDGOIFC-UHFFFAOYSA-N 338.473 1.870 0 40 EDAB Cc1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)C4CCCC4)C3)c2n1 12337299 QYZBGHOLHZJPLE-GFCCVEGCSA-N 344.419 1.664 0 40 EDAB Cc1ccc(CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1C 13284647 SPPKRKAUDUIDRK-UHFFFAOYSA-N 330.413 1.869 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C 14117447 BBLLBUUYLYFYOE-GDBMZVCRSA-N 347.459 1.780 0 40 EDAB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)O 16438277 OCLAUUAMNTULIT-MDWZMJQESA-N 330.340 1.688 0 40 EDAB CC(C)Cc1nc2n(n1)[C@H](C(=O)NCc1ccccc1)CC(=O)N2 17067022 RSMBJVAWCLPLDU-ZDUSSCGKSA-N 327.388 1.676 0 40 EDAB C[C@@H]1Cc2cc([C@@H](O)CN3CCOCC3)ccc2N1C(=O)C1CC1 19497836 JYLDVVWUAVSJSG-ACJLOTCBSA-N 330.428 1.740 0 40 EDAB Cc1c(CN2CCC[C@H](c3cc(C(=O)NC4CC4)on3)C2)cnn1C 19553663 WBVVIENSVXNXMB-ZDUSSCGKSA-N 343.431 1.988 0 40 EDAB NC(=O)c1ccc(C(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)cn1 608006754 NQWNQXWYAPYSBC-GFCCVEGCSA-N 341.371 1.461 0 40 EDAB CO[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@]12C[C@@H](c1cccc(F)c1)CO2 643586070 WAAQLLJHYLHATA-SUYBPPKGSA-N 346.362 1.358 0 40 EDAB CCOC(=O)C1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 3660596 TZGNBQDMXYEWMD-UHFFFAOYSA-N 332.356 1.396 0 40 EDAB COc1ccc2nc(SCc3cc(=O)n(C)c(=O)n3C)[nH]c2c1 10619422 TZHPPFDDMQSMJV-UHFFFAOYSA-N 332.385 1.261 0 40 EDAB CC(C)c1nc(N2CCN(C(=O)c3cn(C)cn3)CC2)nc(O)c1F 1888844381 OYSGWRWXDSLMSD-UHFFFAOYSA-N 348.382 1.141 0 40 EDAB Cc1cc(CN2CCN(c3nc(O)cc(C(F)F)n3)CC2)on1 1888857123 QQEXWOIJZLQOCI-UHFFFAOYSA-N 325.319 1.738 0 40 EDAB COCCc1nsc(N2CCC[C@@H](N(C)c3ncc(C)cn3)C2)n1 1888863836 DECYXIMSABMWOQ-CYBMUJFWSA-N 348.476 1.931 0 40 EDAB O=S(=O)(N[C@@H]1CCN(C2CCOCC2)C1)c1ccc(F)c(F)c1 1888913299 GMMSKXUDTCFVMN-LLVKDONJSA-N 346.399 1.496 0 40 EDAB NC(=O)c1cc(OC2CN(c3cc(C(F)(F)F)ncn3)C2)ccn1 1889098482 XBTNONNNJSEJPZ-UHFFFAOYSA-N 339.277 1.257 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1 1889148840 JFGYIGLWPXVPAR-UHFFFAOYSA-N 338.419 1.449 0 40 EDAB COc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cn1 14363728 MXOABJRQUZCSCF-UHFFFAOYSA-N 349.412 1.271 0 40 EDAB Cc1cc(-c2ncccc2C[C@@H]2CCCN(S(C)(=O)=O)C2)n[nH]1 1848352117 QWSWQIFEGLHYNY-ZDUSSCGKSA-N 334.445 1.994 0 40 EDAB CC(=O)OCC(=O)Nc1cc2c(cc1Br)OCCO2 22066539 KVWMDZUHKCIOLK-UHFFFAOYSA-N 330.134 1.722 0 40 EDAB COc1ccc(S(=O)(=O)NCCCOC[C@H]2CCCO2)cc1F 30325777 VLTHOWZVVNSXGR-GFCCVEGCSA-N 347.408 1.698 0 40 EDAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1)C1CC1 1775964093 RJUBUZLFIMJBLG-ZDUSSCGKSA-N 341.371 1.355 0 40 EDAB biogenic,in-vitro Cc1cc(OC2CN(C(=O)Cc3ccc4c(c3)OCO4)C2)cc(=O)o1 240122553 WCQUJJNQEDEUDC-UHFFFAOYSA-N 343.335 1.509 0 40 EDAB CNC(=O)Cn1nc(-c2ccc(C)cc2)c2sc(C)nc2c1=O 8955157 VVLASCMGFXQEQG-UHFFFAOYSA-N 328.397 1.883 0 40 EDAB COCCN[C@H](CC(=O)Nc1ccc(Br)cc1)C(=O)O 10186507 ASJMLQBQYMBSIK-LLVKDONJSA-N 345.193 1.467 0 40 EDAB COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CO)cc1OC 12230789 QXMLIFIEIXPKAB-UHFFFAOYSA-N 348.355 1.005 0 40 EDAB CC(C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713637 PXJSNJPOAIJARD-CQSZACIVSA-N 332.448 1.844 0 40 EDAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CCOCC2)CO3)cn1 2055772173 DADSGSUCMOATNV-QGZVFWFLSA-N 345.443 1.486 0 40 EDAB CS(=O)(=O)N1CCC2(CN(C(=O)c3cccc(Cl)c3)C2)C1 2055806559 HTRJMGJBCLHOHH-UHFFFAOYSA-N 328.821 1.448 0 40 EDAB CC(C)(C)NC(=O)C(=O)NCCCN1CCO[C@H](c2ccccc2)C1 23127804 ACSYGVZVJFIJGF-INIZCTEOSA-N 347.459 1.481 0 40 EDAB O=C(NCC(=O)N1CCC[C@@H](Oc2ccncc2)C1)c1ccccc1 575614247 XOTJXCBSUVJJHP-QGZVFWFLSA-N 339.395 1.881 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1cc(Cl)c2c(c1)OCO2 24907003 NYDQGOYLUWBDIQ-CQSZACIVSA-N 340.788 1.996 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccc(Cn3cncn3)cc2)C[C@@H](C)O1 40489271 BWBHFDUNVJZVJQ-GASCZTMLSA-N 343.431 1.165 0 40 EDAB O=C(NCc1cccnc1OCC(F)(F)F)c1ccc(=O)[nH]c1 40509964 IVGZPMMSVFMWAF-UHFFFAOYSA-N 327.262 1.641 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)n(C)n1 40512232 IQENDEIQKBVWRK-OAHLLOKOSA-N 326.400 1.758 0 40 EDAB COc1ccccc1N1CCN(C(=O)NCCCn2cccn2)CC1 40553519 UJTWUCXLGNRFTC-UHFFFAOYSA-N 343.431 1.814 0 40 EDAB Cc1cc2c(NCCC(=O)N3CCC(C(N)=O)CC3)ncnc2s1 31868885 HWOWSDFUZJCRKI-UHFFFAOYSA-N 347.444 1.526 0 40 EDAB Cc1cc(N2CCN(C(=O)C3[C@H]4CCCC[C@H]34)CC2)n2ncnc2n1 101401688 PBDXYSUTGYLNPN-KBPBESRZSA-N 340.431 1.518 0 40 EDAB CCCOc1c(OC)cccc1[C@@H]1C=C(C(=O)O)Nc2nnnn21 101675102 RFDPLUHPVWFRES-NSHDSACASA-N 331.332 1.454 0 40 EDAB CCc1ccccc1NC(=O)CN1CCN(C[C@@H]2CCCO2)CC1 32758733 SHYQEEPURNPNAQ-KRWDZBQOSA-N 331.460 1.984 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cc(=O)n2ccccc2n1 69667287 DEZUSCGGYUQNAQ-IRXDYDNUSA-N 340.427 1.670 0 40 EDAB COc1cc(C(=O)Nc2ccn(CCN3CCOCC3)n2)ccc1C 69622467 VTYUIIZMZLNSPZ-UHFFFAOYSA-N 344.415 1.785 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1ncn(-c2ccccc2)n1 92250053 LEXMCKRGQXXFIY-OAHLLOKOSA-N 329.385 1.195 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1 423456 MGRBFBYYRDPMKO-JTQLQIEISA-N 345.380 1.256 0 40 EDAB CCC(=O)N1CCCN(C(=O)c2ccc(N3CCCC3)nc2)CC1 69618954 UEAMAKZLIMWTBS-UHFFFAOYSA-N 330.432 1.766 0 40 EDAB O=C(O[C@H]1CO[C@@H]2[C@@H](OC(=O)c3ccco3)CO[C@H]12)c1ccco1 517614 BAJKIUQBKWDDJS-IGQOVBAYSA-N 334.280 1.421 0 40 EDAB CCCCc1ccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1 2607001 KQSUUFTUYHIQBR-UHFFFAOYSA-N 334.401 1.532 0 40 EDAB CN1CC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O 2649729 KTLQMYHQWOCJTK-UHFFFAOYSA-N 329.328 1.834 0 40 EDAB C[C@@H](CNS(=O)(=O)c1ccccc1Cl)CN1CCN(C)CC1 77616095 ILOFRNPFEQXJQE-ZDUSSCGKSA-N 345.896 1.502 0 40 EDAB CC(C)(C)[C@H](CO)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 78821695 AWTLRLDMSUOCFH-ZDUSSCGKSA-N 349.474 1.313 0 40 EDAB CN1CCC[C@H](N(C)S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1 78881066 SJELHULLGMOIQP-UONOGXRCSA-N 327.450 1.687 0 40 EDAB C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3520863 ZKTWMMSEGJVISQ-LLVKDONJSA-N 348.380 1.518 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCOC2)ccc1Cl 41369026 VGCTUURVPXJOEU-VIFPVBQESA-N 332.809 1.014 0 40 EDAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 6725593 JEFKNEIGTPZOPI-OSRDXIQISA-N 346.383 1.311 0 40 EDAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccncc1 6790588 YVGRILBFKQZYFG-UHFFFAOYSA-N 335.385 1.593 0 40 EDAB CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1 69737794 CFOOZLKPQHTQLF-GFCCVEGCSA-N 338.429 1.802 0 40 EDAB O=C(CN[C@H]1CCCN(c2cccnn2)C1)Nc1ccc(Cl)cn1 69738395 MTGZAHSDQDDQFI-ZDUSSCGKSA-N 346.822 1.722 0 40 EDAB Cc1ccc(NC(=O)CCc2c(C)noc2C)cc1S(N)(=O)=O 8010135 IARXLRNYRKVGJE-UHFFFAOYSA-N 337.401 1.819 0 40 EDAB CCCOCc1ccccc1CNC(=O)N[C@H]1CCS(=O)(=O)C1 42871310 ANCXRCCKJJJNDC-HNNXBMFYSA-N 340.445 1.600 0 40 EDAB CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(=O)n(CCOC)c1 106662026 YLEBGGIDHIYHPA-DLBZAZTESA-N 347.459 1.584 0 40 EDAB CCn1c(S)nc2cc(C(=O)Nc3cnn(C)c3)ccc2c1=O 102800854 WIBDMTKDSXKWFG-UHFFFAOYSA-N 329.385 1.691 0 40 EDAB CCN(CC)C(=O)CCNC(=O)[C@@H]1CCCN(c2ccccn2)C1 55775526 KMAAKHPTKBGBPK-OAHLLOKOSA-N 332.448 1.673 0 40 EDAB OC[C@@H]1CCCN1c1cc(NC[C@@H]2COc3ccccc3O2)ncn1 106905784 RUMBRBDUIHPOBH-UONOGXRCSA-N 342.399 1.690 0 40 EDAB O=S(=O)(Cc1ccc(F)cc1)N1CCN(c2ncccn2)CC1 25365757 RLSIWJQNTHGETN-UHFFFAOYSA-N 336.392 1.268 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCOc1ccc(Cl)cc1 25321249 LWXGDEZQROCAGB-CYBMUJFWSA-N 346.836 1.259 0 40 EDAB O=C1COc2cc(C(=O)Nc3cccnc3-n3cccn3)ccc2N1 25010460 NDJOJRFHWUCTRG-UHFFFAOYSA-N 335.323 1.851 0 40 EDAB CCN1CCN([C@@H](C)CNS(=O)(=O)c2cccc(F)c2F)CC1 97166147 GUTUUDLJXLNGMV-LBPRGKRZSA-N 347.431 1.269 0 40 EDAB CC(=O)c1cccc(OC[C@H](O)Cn2nnc(-c3cccnc3)n2)c1 58217715 RYGYHAFGSLTTBC-OAHLLOKOSA-N 339.355 1.378 0 40 EDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 58201420 FKWJKFHNOWZZHG-OAHLLOKOSA-N 348.428 1.162 0 40 EDAB O=C(CCc1nc(-c2cccnc2)no1)N[C@@H]1CCN2CCCC[C@H]12 44941993 WSGHXTQYKYESSK-HUUCEWRRSA-N 341.415 1.807 0 40 EDAB C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(-n2cc(C(N)=O)nn2)cc1 44978029 SMFOHUPYWCSDHJ-RISCZKNCSA-N 343.387 1.113 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N1CCN(Cc2ccncc2)CC1 44969789 DRJPPFPLIBRYLW-OAHLLOKOSA-N 328.420 1.194 0 40 EDAB O=C(NCCc1cc(F)cc(F)c1)c1ccccc1-n1cnnn1 58342162 VXRFLHAPDJQGHS-UHFFFAOYSA-N 329.310 1.913 0 40 EDAB COC(=O)C1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1 3348240 SUIFSOWQWSJLCK-UHFFFAOYSA-N 325.409 1.030 0 40 EDAB Nc1nnc(SCC(=O)OCC(=O)Nc2ccccc2F)s1 3358665 IDSRCVYHOIRABQ-UHFFFAOYSA-N 342.377 1.533 0 40 EDAB CC(C)NC(=O)CCNC(=O)NCc1cn2cc(Cl)ccc2n1 45491559 MBEBDIAVAANLDP-UHFFFAOYSA-N 337.811 1.702 0 40 EDAB Cc1cc(C)c2cc(C(=O)N3CCC[C@H](CS(N)(=O)=O)C3)[nH]c2c1 69845636 LFONCRLMXLOMII-ZDUSSCGKSA-N 349.456 1.925 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12753479 UGVPFGRXFWEWKS-GJIOHYHPSA-N 337.430 1.973 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 29193446 WBKDNCCZSBSFLB-ZDUSSCGKSA-N 348.428 1.231 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 48302318 NGVRLUCWXWXYBZ-CABCVRRESA-N 341.477 1.983 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c1 12985012 UMOZLDAAOZMZJD-UHFFFAOYSA-N 343.368 1.318 0 40 EDAB COc1ccc2c(C)c(CC(=O)NC[C@@H](C)O)c(=O)oc2c1OC 8764783 HYWOFIJNKKMVGZ-SECBINFHSA-N 335.356 1.158 0 40 EDAB biogenic O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NC1CCCCC1 5166089 FALKOKFGDMLUTI-UHFFFAOYSA-N 329.356 1.529 0 40 EDAB CCN1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CC1 13882217 OIUOVNLVTAJWKV-CCZBSFLLSA-N 343.475 1.738 0 40 EDAB COc1ccc(OCCN(C)c2ncnc3c2CN(C)CC3)cc1 65458852 CXGFDLKWDVWOBP-UHFFFAOYSA-N 328.416 1.988 0 40 EDAB Cc1ccc(C(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)c(=O)[nH]1 65463649 MHCAQAJXEBTKHR-UHFFFAOYSA-N 345.403 1.148 0 40 EDAB CC(=O)N1C[C@H](C(=O)N[C@@H]2CCc3nccn3C2)Oc2ccccc21 65474097 IUELXAWTSQTHKD-CZUORRHYSA-N 340.383 1.128 0 40 EDAB CC[C@@H](CNS(=O)(=O)c1cccc(C(=O)O)c1)N1CCCC1 65443075 AGHVNUXQEHOPKG-ZDUSSCGKSA-N 326.418 1.538 0 40 EDAB COc1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)N2CCCC2)cn1 65452471 POTOEJOQAFIAJR-DZGCQCFKSA-N 334.420 1.713 0 40 EDAB C[C@@H](OC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(N)=O 4490375 HUNGQNHPFDOGRK-LLVKDONJSA-N 348.380 1.518 0 40 EDAB C[C@@H]1C(=O)N(CC(=O)NCc2ccco2)C(=O)N1c1ccccc1 14398619 JPSDFGHWZXPBQE-GFCCVEGCSA-N 327.340 1.753 0 40 EDAB CC[C@](C)(O)CNC(=O)Nc1ccc(N2CCOC2=O)c(OC)c1 66161115 BBEXFVOGFSLYMC-INIZCTEOSA-N 337.376 1.934 0 40 EDAB COc1ccc2nc(C)cc(N3CCN(S(C)(=O)=O)CC3)c2c1 8923328 UUMZDHFITQZNGT-UHFFFAOYSA-N 335.429 1.633 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)COc2ccc(Cl)cc2)cn1 4985544 SMZHUWWPHZZNTA-UHFFFAOYSA-N 347.802 1.968 0 40 EDAB CCOCCCNC(=O)c1sccc1NC(=O)c1cnccn1 67335651 FTEHYYAICHJWIG-UHFFFAOYSA-N 334.401 1.947 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NCc2cccc3c2OCCCO3)C1 67503363 QDOJGWKTFVTKHA-CQSZACIVSA-N 340.445 1.362 0 40 EDAB CN(CCNS(C)(=O)=O)C(=O)C1CCC(c2ccccc2)CC1 80282484 YTVCMVBAOGJPHR-UHFFFAOYSA-N 338.473 1.968 0 40 EDAB CCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1)CC(=O)N2 22606842 NKNQYHVXSCXIED-SNVBAGLBSA-N 344.396 1.946 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306128274 GVUWVNVEPASUHC-OAHLLOKOSA-N 340.445 1.427 0 40 EDAB NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996078 INFWGWVRTPNTFS-UHFFFAOYSA-N 329.356 1.155 0 40 EDAB CNC(=O)Cn1cnc(NC(=O)CC2CCC(C(F)(F)F)CC2)n1 96008821 BJENAUGFSSVBBL-UHFFFAOYSA-N 347.341 1.721 0 40 EDAB O=C(CCNC(=O)C1=Cc2ccccc2OC1)NCc1ccncc1 69367530 CGDLFVHIDIRERW-UHFFFAOYSA-N 337.379 1.680 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCN(C(=O)C2CCOCC2)CC1 69369102 HJYFKUWILVHNMC-UHFFFAOYSA-N 342.399 1.274 0 40 EDAB Cc1cccc(C(=O)N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)c1C 69348642 MAOJRUOHHJLCFY-KRWDZBQOSA-N 343.471 1.930 0 40 EDAB COCCOc1ccccc1C(=O)N[C@H](C)C(=O)NC1CCCC1 69322084 NDMBGDCXEADFOG-CYBMUJFWSA-N 334.416 1.889 0 40 EDAB CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 8395746 ZKTJRCXXXDQJOS-UHFFFAOYSA-N 325.434 1.886 0 40 EDAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2=COCCO2)c1 8389526 YJGBIJKQSBRYLR-UHFFFAOYSA-N 340.401 1.590 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN([C@@H](C)C(=O)NC3CCCC3)CCO2)n1 69413734 NWQJBZRQIIJTQB-RDJZCZTQSA-N 334.464 1.648 0 40 EDAB COC(=O)c1c(NC(=O)C(=O)NCc2ccncc2)sc(C)c1C 9344306 FYPCOIRBVQPCDT-UHFFFAOYSA-N 347.396 1.801 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NC2(C)CCC(C)CC2)n(C)c1 69561099 JXWMPADCKXDRSW-UHFFFAOYSA-N 327.450 1.632 0 40 EDAB CN(C(=O)CN1CCN(C[C@H]2CCCCN2C)CC1)c1ccccc1 69592787 PSCGXOOCPYWSSL-LJQANCHMSA-N 344.503 1.751 0 40 EDAB COc1cc(CNC[C@H]2CN(C3CC3)CCO2)c2c(c1)C[C@H](C)O2 69589900 JFVFHRNORNLIJM-UGSOOPFHSA-N 332.444 1.971 0 40 EDAB O=S(=O)(c1ccc(CNCc2ccncc2)cc1)N1CCOCC1 17317400 HBOADTKKZYKPLW-UHFFFAOYSA-N 347.440 1.392 0 40 EDAB NC(=O)[C@H]1CCCN(c2ccc(NC(=O)Nc3nccs3)cn2)C1 72305786 SIPGNAGKTDBWQG-JTQLQIEISA-N 346.416 1.884 0 40 EDAB O=S(=O)(c1ccc(Cl)nc1)N1CCN(Cc2ccon2)CC1 96428590 JYMAXYWBOOFPNY-UHFFFAOYSA-N 342.808 1.230 0 40 EDAB Cn1nc2c(cc1=O)CN(CC(=O)N1CCC[C@@H]3CCCC[C@@H]31)CC2 72302441 FELQQQQFYKAGER-YOEHRIQHSA-N 344.459 1.320 0 40 EDAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCCC1 9514132 LJGHZKWQQWPXMC-OAHLLOKOSA-N 336.457 1.926 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2C2CC2)C1 71815202 ZSPVEPZJSIRTAZ-OAHLLOKOSA-N 338.411 1.756 0 40 EDAB NC(=O)C1(CNC(=O)C2(c3ccccc3)CCCC2)CCOCC1 71818903 NKBQFRSPTCGUEZ-UHFFFAOYSA-N 330.428 1.897 0 40 EDAB Cc1nc(CC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)cs1 71898259 MHRHJFUQZCQHAG-CYBMUJFWSA-N 339.486 1.560 0 40 EDAB O=C([C@@H]1Cc2ccccc2O1)N1CCC(c2nnc3n2CCC3)CC1 71821310 BGHAZABFSDMCQJ-INIZCTEOSA-N 338.411 1.934 0 40 EDAB O=C1NCCN1[C@H]1CCCN(CCCOc2ccc3c(c2)OCO3)C1 71841090 HBZATSZYNLTAOB-AWEZNQCLSA-N 347.415 1.674 0 40 EDAB Cc1cc(C(=O)N2CCN3CCCC[C@@H]3C2)c2c(C)nn(C)c2n1 71839870 AOMOJLWHGMOIKT-CQSZACIVSA-N 327.432 1.895 0 40 EDAB Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)C(=O)Nc1ccccc1 83722417 UBRUTAOJOIQXDG-SMDDNHRTSA-N 342.403 1.748 0 40 EDAB CCn1ccnc1CN1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 83843609 KERZXEVSHJVHIT-NVXWUHKLSA-N 333.480 1.278 0 40 EDAB CCn1cc([C@@H]2OCC[C@H]2CN[C@@H](C)C(=O)Nc2cc(C)on2)cn1 83843413 YOMHKZWEDPNHSY-HEHGZKQESA-N 347.419 1.894 0 40 EDAB C[C@H]1CCCC[C@H]1OCC(=O)NCC1CCN(S(C)(=O)=O)CC1 71903542 FJNIOQUCZABVCF-DZGCQCFKSA-N 346.493 1.370 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)NCc1ccccc1N1CCCCC1 97049679 ITOJEQLNAINVHT-CQSZACIVSA-N 330.432 1.707 0 40 EDAB C[C@H]1C[C@H](NC(=O)N2CCC(CC(=O)N(C)C)CC2)CN1C1CC1 97080570 BMPARGMRSNCYGB-ZFWWWQNUSA-N 336.480 1.512 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(c3ncnc4c3cnn4C)C2)n1 72276471 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EDAB CCOC(=O)C1=C(C)N(N)C(=O)N[C@@H]1c1ccc(O)c(OCC)c1 408729084 ALGACKHVSRNPGO-CQSZACIVSA-N 335.360 1.568 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)N2CCSCC2)[C@H]1c1cccc(F)c1 72241804 PXXALPJRLFBXEG-HUUCEWRRSA-N 338.404 1.299 0 40 EDAB CCNc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217712569 BYWJQLASDLHABN-SNVBAGLBSA-N 328.390 1.274 0 40 EDAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1 71980263 JGUQBHIKLLFGDK-OAHLLOKOSA-N 332.400 1.814 0 40 EDAB O=C(CCCCCN1C(=O)c2nccnc2C1=O)Nc1nccs1 72402346 BTOHXQZEVHUBEA-UHFFFAOYSA-N 345.384 1.728 0 40 EDAB Cc1ccc(CS(=O)(=O)N[C@@H](C(=O)O)c2cnn(C)c2)c(F)c1 566311135 ADXMGXHNBQHVAE-CYBMUJFWSA-N 341.364 1.113 0 40 EDAB CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cc(Cl)ccc2O)O1 180321164 OSCQYVCYONOHNG-GWCFXTLKSA-N 326.780 1.411 0 40 EDAB O=C(CN(C[C@H]1CCCO1)C(=O)[C@H]1CC1(Cl)Cl)N1CCCC1 72534131 GXQOMNPPNHUNEU-VXGBXAGGSA-N 349.258 1.810 0 40 EDAB COCCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225950040 CLLNTPOHOSONAU-CYBMUJFWSA-N 348.852 1.473 0 40 EDAB COc1cc(C(=O)NCCC(=O)N2CCCC2)n(-c2ccccc2)n1 227167705 TZBUSRQPSDRLCX-UHFFFAOYSA-N 342.399 1.623 0 40 EDAB COCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225950011 DUFLGJIBDPZQQR-GFCCVEGCSA-N 334.825 1.083 0 40 EDAB Cc1ccc(-n2cc(C(=O)N3CCN(c4ccccn4)CC3)nn2)cc1 42882885 HOYJHNQDMGJXGG-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB CN(CC(=O)NCc1ccccc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 81097093 PTICWOPDEFABMG-HOTGVXAUSA-N 338.473 1.590 0 40 EDAB COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)[C@H](C)c1ccccc1 225789190 YUDKDSZFXLQGHP-IJLUTSLNSA-N 327.402 1.434 0 40 EDAB CN1C(=O)CC[C@H](NC(=O)NCC2CC(c3ccccc3)C2)C1=O 572754461 FOPLJHUOUKWPPA-ZALBZXLWSA-N 329.400 1.627 0 40 EDAB CC1(C)CN(C[C@H](O)COc2ccc(C(=O)O)cc2)[C@@H]2COC[C@@H]21 573331283 TXCFFILMQNLMJY-CWRNSKLLSA-N 335.400 1.481 0 40 EDAB Cn1ncnc1S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 191073219 HXEBYPOGSSFKJU-UHFFFAOYSA-N 329.765 1.214 0 40 EDAB Cc1cccc(CN2CC[C@]3(CCCN(CC(=O)N(C)C)C3)C2)n1 96215319 AHFMNPWJJOWFPJ-IBGZPJMESA-N 330.476 1.766 0 40 EDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCCc1cccc(F)c1F 95396786 MEHDAMFEDMISOD-NSHDSACASA-N 348.415 1.972 0 40 EDAB COC[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)O1 96186033 CJWWCFGFHLWVLB-QEJZJMRPSA-N 329.393 1.783 0 40 EDAB Cc1noc(C)c1CN1C[C@@]2(CCN(c3cnccn3)C2)CC1=O 96239391 QHISYOJXPCVUSN-KRWDZBQOSA-N 327.388 1.710 0 40 EDAB O=C(CCN1C(=O)c2ccncc2C1=O)Nc1n[nH]c2ccccc12 95476537 UROKZJSLTLRPDM-UHFFFAOYSA-N 335.323 1.583 0 40 EDAB O=C(N[C@@H]1CN2CCOC[C@@H]2[C@@H]1OCc1ccccn1)c1ccoc1 96068915 VPHQQXGRENCZRL-BRWVUGGUSA-N 343.383 1.073 0 40 EDAB C[S@@](=O)c1ncn(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)n1 96484770 RJMIQIFDSYZBGJ-NHBFPYQTSA-N 335.429 1.471 0 40 EDAB CCN1CCC[C@H](NC(=O)N2CCN([C@@H](C)c3ccccn3)CC2)C1 97378511 QDVJUMYKONDTQH-IRXDYDNUSA-N 345.491 1.954 0 40 EDAB CCS(=O)(=O)N[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@@H]21 96057116 LHFPNEMSAUPDNQ-CFVMTHIKSA-N 344.502 1.667 0 40 EDAB CCS(=O)(=O)N1CCC2(CCN(c3ccc(C)nn3)CC2)CC1 96047360 PJEUHSZYAUOOGZ-UHFFFAOYSA-N 338.477 1.817 0 40 EDAB C[C@@H]1CN(Cc2cccc(NC(=O)CCn3cncn3)c2)C[C@@H](C)O1 96414506 KRHUDOCNJDOHPP-HUUCEWRRSA-N 343.431 1.916 0 40 EDAB CC(C)CN1CCN(C)C(=O)C12CCN(Cc1ccccn1)CC2 96230260 BULCOMGJGBNZNG-UHFFFAOYSA-N 330.476 1.846 0 40 EDAB Cc1nc(CN2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@@H]32)cs1 96183638 SGQBQMWZHROLSE-SOUVJXGZSA-N 337.445 1.042 0 40 EDAB O=S(=O)(Cc1ccon1)N1CCN(CCC2CCCC2)CC1 96441598 PHFXTIWIDMAUEL-UHFFFAOYSA-N 327.450 1.702 0 40 EDAB Cc1cccc(S(=O)(=O)N2Cc3nccn3C[C@H](CN(C)C)C2)c1 96188244 FQNSKITUNGASSB-HNNXBMFYSA-N 348.472 1.574 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 96042212 UGZQQTYXRCVWRN-YESZJQIVSA-N 340.383 1.460 0 40 EDAB COC[C@H]1CN(C)C[C@@]12CCN(C(=O)COc1ccccc1C)C2 96217126 AWLHTEPZZMSDDE-VQIMIIECSA-N 332.444 1.801 0 40 EDAB Cc1sc(NCc2ccccc2CN2CC[C@@H](O)C2)nc1C(=O)O 580837646 XXKMIPHKLHGQJN-CQSZACIVSA-N 347.440 2.328 0 40 EDAB Cn1c(C(=O)NCC(C)(C)NS(C)(=O)=O)ccc1-c1ccccc1 96425139 OGSQBEWWVQFRAF-UHFFFAOYSA-N 349.456 1.750 0 40 EDAB CCCS(=O)(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2 96159009 ITTBIKUSRDMZNK-UHFFFAOYSA-N 339.461 1.493 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)cc1 583651201 GWDPFYQYCIKEEG-ZBFHGGJFSA-N 335.429 1.927 0 40 EDAB O=C(Cc1ccsc1)N1CCn2cc(Cn3cncn3)nc2C1 96197378 IZZOCTDEWZEOOO-UHFFFAOYSA-N 328.401 1.169 0 40 EDAB CC(C)Cn1nc(CC(=O)N2CCOCC2)c2ccccc2c1=O 95476467 KJOATNLYOAZCMX-UHFFFAOYSA-N 329.400 1.454 0 40 EDAB Cc1cc(CN2CCC3(CC2)CN(CCN(C)C)C(=O)CO3)oc1C 96201360 ATTRZWLINJYMSK-UHFFFAOYSA-N 349.475 1.651 0 40 EDAB CN(C)c1nccc(N2CCN([C@@H]3Cc4ccccc4[C@H]3O)CC2)n1 96493073 GKHNYDUKTOCBKU-SJLPKXTDSA-N 339.443 1.323 0 40 EDAB COc1ccc(CN2C[C@@H]3CN(C(=O)NC(C)C)C[C@@H]3C2=O)cc1 96245344 JWXFAOHGLQIONA-ZBFHGGJFSA-N 331.416 1.703 0 40 EDAB CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)c(F)c1 249133425 DJBGDJWYFCCGTP-OLZOCXBDSA-N 337.370 1.989 0 40 EDAB O=C(C[C@]1(O)CCCN(Cc2ccccc2)C1)NO[C@@H]1CCCCO1 585088648 SZXTWYATCFJVLL-RTBURBONSA-N 348.443 1.978 0 40 EDAB Cc1cc(CN2Cc3ncn(C)c3[C@@H](C(=O)N3CCCC3)C2)no1 248055682 SIDQOZSCJWSEBP-AWEZNQCLSA-N 329.404 1.438 0 40 EDAB CC[C@H](OC)C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1 585126025 LOMXOBNIOJSZBI-ZAMGYDSWSA-N 341.433 1.765 0 40 EDAB C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1nnc2ccc(Cl)cn12 585127436 AFUTVEMWRKFPGK-ZYHUDNBSSA-N 338.795 1.583 0 40 EDAB NS(=O)(=O)c1cc(NC(=O)CCCOCc2ccccc2)ccn1 585129127 YTALSMVSJQDZQF-UHFFFAOYSA-N 349.412 1.665 0 40 EDAB CCN(c1ccccc1)[C@H]1COC2(CCN(CC(=O)NC)CC2)C1 257337539 YTEZGGUMAHXOFP-QGZVFWFLSA-N 331.460 1.882 0 40 EDAB CN(C)c1cc([C@H]2CCCN2C(=O)Cn2cccnc2=O)ccn1 257303869 SJCNEPYQJYEWAY-CQSZACIVSA-N 327.388 1.068 0 40 EDAB O=C(NCc1ccc(F)cc1F)c1cc(N2CCOCC2)ncn1 252498952 RRSQDYQSUAJRQK-UHFFFAOYSA-N 334.326 1.521 0 40 EDAB Cc1cnc(C(=O)N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)cn1 253600874 BTHNHYGZWBKXSS-ZDUSSCGKSA-N 341.371 1.028 0 40 EDAB Cc1ocnc1C(=O)N1CCC(Cc2cnc(CN(C)C)cn2)CC1 257322167 WEVFITWCOFTQGZ-UHFFFAOYSA-N 343.431 1.930 0 40 EDAB Cc1cccc(C(=O)N[C@@H]2C[C@H]3Oc4ccccc4N[C@H]3[C@@H]2O)n1 257221462 DPCNDGNBGYKDMP-MWQQHZPXSA-N 325.368 1.495 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccccn3)CCN2C)c1 257204956 AXARBWLPQMHJJH-KRWDZBQOSA-N 338.411 1.570 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CCO1 257214068 CKJSJSKFNSKURV-CYBMUJFWSA-N 339.359 1.003 0 40 EDAB Cc1csc(C(=O)N2CC(Oc3cc(C)nc4ncnn34)C2)c1 618255487 DFBFYPZXRCHBLM-UHFFFAOYSA-N 329.385 1.706 0 40 EDAB Cc1cc(C(=O)O)c(F)c(S(=O)(=O)NC[C@@H]2CCOC[C@H]2C)c1 285545609 SDPKACWUYBJCLS-MNOVXSKESA-N 345.392 1.783 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2cccnn2)CC1 96119365 HTHBAKXLVORJGH-UHFFFAOYSA-N 338.389 1.314 0 40 EDAB COc1cccc([C@@H](CNC(=O)C(=O)NCc2cccs2)OC)c1 96390448 OYLJSEYEBJZCOS-OAHLLOKOSA-N 348.424 1.877 0 40 EDAB O=C(CN1CCC[C@@](O)(COc2ccc(F)cc2)C1)N1CCCC1 585268875 CAGGWRGNLYEOGZ-SFHVURJKSA-N 336.407 1.654 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3Cl)c2)C1 49992800 SFWNXLJWOMSHSC-LLVKDONJSA-N 332.791 1.863 0 40 EDAB Cc1n[nH]c2ncc(C(=O)NCC(=O)N3CCCc4ccccc43)cc12 57271427 PNMKPTDBGYSPKI-UHFFFAOYSA-N 349.394 1.976 0 40 EDAB CC(C)c1ocnc1C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 79094090 FEEOQGZSVHJHGO-GHMZBOCLSA-N 329.422 1.246 0 40 EDAB O=C(Cn1cnnn1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 91060073 LFQQCXSJTLIQGP-DGCLKSJQSA-N 325.731 1.112 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2ncccc2C(F)(F)F)CC1 92279254 CPJASUKKYNKVHD-UHFFFAOYSA-N 344.337 1.041 0 40 EDAB CC/C=C(\C)C(=O)N1CCN(C(=O)/C(C)=C/CC)[C@H](C(=O)N(C)C)C1 98056574 RLWZRXBYZFVTLK-XIJYMNILSA-N 349.475 1.827 0 40 EDAB O=C(c1ccncc1)N1CCCc2cnc(N3CCOCC3)nc21 675007584 MWONPEQOTZUHFF-UHFFFAOYSA-N 325.372 1.301 0 40 EDAB CN1CCN(c2ccnc(SCC(=O)NCc3ccco3)n2)CC1 1554502677 YKVIERMHIBQXSL-UHFFFAOYSA-N 347.444 1.230 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NC3CCCCC3)n2)o1 12182591 PIRFRUJFPCZMKX-UHFFFAOYSA-N 330.388 1.843 0 40 EDAB COc1ccccc1N(CC(=O)N1CCC[C@@H](C)C1)S(C)(=O)=O 13670118 QRPOUBRGGIGJLD-CYBMUJFWSA-N 340.445 1.720 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCOCC1 19456441 DTLSBQQPTNBJRF-UONOGXRCSA-N 349.406 1.016 0 40 EDAB CNC(=O)c1cnc(C)nc1CCNC(=O)Cc1ccc(OC)cc1 19695620 NUHJDFYHUKKCIC-UHFFFAOYSA-N 342.399 1.055 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)/C=C/c2cc(F)ccc2F)[C@@H]1O 643586215 JHJZMSLDFAMPNY-YYMFRIBCSA-N 327.327 1.211 0 40 EDAB CS(=O)(=O)C[C@@H]1CCCCN1C(=O)CN1CCCCCCC1=O 571756297 XPRLEBMKOGPJAD-AWEZNQCLSA-N 344.477 1.205 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CCCNC3)C2)s1 584345690 PNZCIDQDCTVXIZ-AWEZNQCLSA-N 328.459 1.367 0 40 EDAB CSCC[C@H](NC(C)=O)C(=O)N1CCC[C@H](c2ccn(C)n2)C1 390831276 QVWPEHZZLIQKSU-ZFWWWQNUSA-N 338.477 1.384 0 40 EDAB CCc1cnc(N2CCN(c3nc(O)cc(C(F)F)n3)CC2)nc1 1888859280 IHGJXEPIPKTQMV-UHFFFAOYSA-N 336.346 1.799 0 40 EDAB Cc1ncnc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)c1C 1889078042 VONAAFXIGMYTBN-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)o2)cc1C(N)=O 26753300 BZYWPYRJPSKYKV-UHFFFAOYSA-N 338.385 1.516 0 40 EDAB O=C(CCc1nc(-c2ccccn2)no1)Nc1nnc2ccccn12 30711105 LOHGIASEQXQAHQ-UHFFFAOYSA-N 335.327 1.746 0 40 EDAB CC(C)[C@@H](Cn1nccn1)NC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 239579114 DEXRQGGPNIRPIW-GXTWGEPZSA-N 346.387 1.615 0 40 EDAB CN1CCCC[C@@]2(CN(C(=O)CCc3ccncc3)CCO2)C1=O 2037985584 OUIQFJJEZIUUAR-GOSISDBHSA-N 331.416 1.254 0 40 EDAB O=C(OC[C@@H]1CO[C@]2(O1)C(=O)Nc1ccccc12)c1ccccc1O 4717252 ZLNAFOVWKDDTGL-ADLMAVQZSA-N 341.319 1.770 0 40 EDAB COC(=O)[C@H](C)n1cnc2c(nnn2Cc2ccc(C)cc2)c1=O 5031881 PYJZZUSLYCVAEY-NSHDSACASA-N 327.344 1.079 0 40 EDAB CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 5152842 RPFJLFNNZMQWST-OAHLLOKOSA-N 327.384 1.636 0 40 EDAB Cc1ccc(CNC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 5352075 BKTUNVQMKKRXEF-OAHLLOKOSA-N 332.400 1.413 0 40 EDAB CNC(=O)Cn1nc(-c2cccc(OC)c2)c2sc(C)nc2c1=O 8955936 DSMLVPNALUVCOY-UHFFFAOYSA-N 344.396 1.583 0 40 EDAB Cc1cccnc1CN1CCC(C(=O)N(C)C)(n2ccnc2)CC1 2055704317 ISKDFVAJWJGOEQ-UHFFFAOYSA-N 327.432 1.666 0 40 EDAB CC(C)(C)CNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 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SDIOESJEYVOSBU-UHFFFAOYSA-N 344.400 1.319 0 40 EDAB CCOc1ccccc1Cn1cc(S(=O)(=O)N(C)C)ccc1=O 16117537 OFUUOOKQRUVOON-UHFFFAOYSA-N 336.413 1.546 0 40 EDAB COc1ccc(/C=C/C(=O)NCCNC(=O)c2cnccn2)cc1 7871446 ZROCYJXODPBAHO-QPJJXVBHSA-N 326.356 1.045 0 40 EDAB C[C@@H](NS(=O)(=O)c1cccs1)c1ccc(S(N)(=O)=O)cc1 8131766 PNMIAQNDRHRPHQ-SECBINFHSA-N 346.455 1.435 0 40 EDAB CC(=O)N1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1 8164348 XMMFPAVETSNJSG-UHFFFAOYSA-N 331.416 1.720 0 40 EDAB COCCn1c(-c2ccccc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 9367176 SKIYGAFCMNRFCG-UHFFFAOYSA-N 342.399 1.856 0 40 EDAB CN(CCN1CCCC1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 69326847 RGNRLVUZCLWZCP-UHFFFAOYSA-N 336.413 1.509 0 40 EDAB Cn1cc(CCNC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)cn1 69348788 YTTDIBJINGJBID-ZDUSSCGKSA-N 338.477 1.417 0 40 EDAB C[C@H](CNc1nc(N(C)C)nc2c1CCNC2)Oc1cccnc1 71552196 ISXZXEWARJOEOK-GFCCVEGCSA-N 328.420 1.463 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCC2(C)COC2)C1=O 71867558 NKGHQYGAOABUGE-GOSISDBHSA-N 346.383 1.423 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)c1ccc(N2CCOCC2)c(F)c1 71883635 VZPHLSNOXQPVGY-OAHLLOKOSA-N 335.423 1.876 0 40 EDAB CC(C)S(=O)(=O)[C@H](C)C(=O)N1CCCC[C@@H]1Cn1cccn1 71865329 KKOUEYQXKPQOAF-ZIAGYGMSSA-N 327.450 1.476 0 40 EDAB CCc1cccc2c(CCNC(=O)[C@@H]3CCS(=O)(=O)C3)c[nH]c12 71896725 FZZDBBPVMBARSJ-CQSZACIVSA-N 334.441 1.824 0 40 EDAB C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@@H](N2CCNC2=O)C1 71830620 XLJMJOFKYYKGDY-GDBMZVCRSA-N 331.416 1.608 0 40 EDAB O=C(CCNC(=O)N1CCC(n2cncn2)CC1)N1CCCCCC1 71892322 JNFWLMCSUHEVTP-UHFFFAOYSA-N 348.451 1.417 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)c2cccc3c2OCC(=O)N3)cn1 71847555 LLCFCVUEVLXKKZ-CQSZACIVSA-N 326.356 1.728 0 40 EDAB C[C@@H]1C(=O)N(CCS(C)(=O)=O)C(=O)N1c1ccc(Cl)cc1 71813627 QVTQRHHMHLVHCZ-SECBINFHSA-N 330.793 1.542 0 40 EDAB COC(=O)Cn1ncc2c(Nc3ccc4nc(C)cn4c3)ncnc21 71920524 RBJAVYJHDWVCIE-UHFFFAOYSA-N 337.343 1.699 0 40 EDAB O=S(=O)(NCc1cc(F)ccc1Br)[C@H]1CCOC1 71911218 LKSCTBOXKKIEQH-JTQLQIEISA-N 338.198 1.797 0 40 EDAB COC(=O)Cn1ccc(NC(=O)NCCOc2ccc(F)cc2)n1 71912151 DDDXFJVYZZTUPN-UHFFFAOYSA-N 336.323 1.396 0 40 EDAB CCN(C[C@@H]1CN(CCn2nc(C)cc2C)CCO1)c1cccnn1 84774624 GOVOUHKLQUPQQC-KRWDZBQOSA-N 344.463 1.517 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 97014009 XETJDTKPNJMDFP-LLVKDONJSA-N 339.421 1.820 0 40 EDAB C[C@@H]1CC(C)(C)[C@@H](CNC(=O)c2ccon2)[C@@H]1NC(=O)c1ccon1 97002153 BKLUWVDMCLJMQS-UHIISALHSA-N 346.387 1.873 0 40 EDAB Cc1cccnc1[C@@H](NCC(=O)N1CCC[C@@H](C(N)=O)C1)C(C)C 72296431 GMDVBFWVCGGAGR-ZBFHGGJFSA-N 332.448 1.401 0 40 EDAB O=C(CNC[C@H]1CCCN1c1cccnn1)NCCc1ccsc1 72276768 NQUVHLJDNXBFIS-OAHLLOKOSA-N 345.472 1.455 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)NCC2(c3ccccc3)CC2)C[C@H]1C 72279656 AMMAWEGYKSYMCX-IAGOWNOFSA-N 345.487 1.221 0 40 EDAB Cc1ccc2oc(C(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)cc2n1 72269363 FMFVXRGWXHZKJL-GJZGRUSLSA-N 329.400 1.807 0 40 EDAB CCc1noc(CCCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)n1 72269530 YLFYGODHHWYLFL-ZIAGYGMSSA-N 336.436 1.012 0 40 EDAB COCC(=O)N1CCN(C(=O)NCc2ccc3ccccc3c2)CC1 72274363 DARUKAFNSFRRNC-UHFFFAOYSA-N 341.411 1.840 0 40 EDAB COC(=O)c1sccc1NC(=O)N1CCC[C@@H](OCCO)C1 72286272 GEIRNKIVBRECQG-SNVBAGLBSA-N 328.390 1.540 0 40 EDAB CN(C(=O)Nc1nncs1)[C@H]1CCN(c2ccccc2F)C1=O 72281193 NOPJXHHXKAEFSC-NSHDSACASA-N 335.364 1.946 0 40 EDAB CN1CCN(c2ncc(CNCCOc3cccc(F)c3)cn2)CC1 95416636 XDEIQSFORPCQJZ-UHFFFAOYSA-N 345.422 1.536 0 40 EDAB O=C(N[C@@H]1CCN(c2ccccn2)C1)N(CCO)Cc1ccccc1 95435557 DZMKASNRPKRWOM-QGZVFWFLSA-N 340.427 1.864 0 40 EDAB CN(CC(C)(C)O)S(=O)(=O)c1cc(Br)ccc1F 95448552 QCPXVDKIOLGCOZ-UHFFFAOYSA-N 340.214 1.980 0 40 EDAB Cc1nc(C)c(CCNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)s1 95426944 DVXVZLZXQIJQPP-STQMWFEESA-N 336.461 1.755 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)N(CCC(=O)O)C1CC1 89522538 FYPAGFDLYYZRCT-UHFFFAOYSA-N 331.376 1.139 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)[nH]c1=O 75117540 FBTTYUUVGFAVGC-GFCCVEGCSA-N 346.408 1.206 0 40 EDAB CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CCN(CCn2cncn2)C1 89893505 ADQLKJSWHXGBMU-HNNXBMFYSA-N 346.435 1.513 0 40 EDAB CC(C)c1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)n[nH]1 89893306 PEWSVOWHRVALHS-KGLIPLIRSA-N 327.450 1.961 0 40 EDAB CCN1CCC[C@H]1CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1 68712178 WNZDADCBAXOPKV-AWEZNQCLSA-N 342.443 1.846 0 40 EDAB O=C(Cn1nnc(-c2ccco2)n1)N1CC[C@@H](Nc2ccccc2)C1 67298571 ZQQSGZMNPYORBJ-CQSZACIVSA-N 338.371 1.646 0 40 EDAB CNC(=O)c1nc(-c2ccnn2-c2cccc(OC)c2)n2ccncc12 306129882 IPOQYRSQTLKFHM-UHFFFAOYSA-N 348.366 1.950 0 40 EDAB CCOC(=O)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 36079050 ZPQFSMGXDGYKRF-UHFFFAOYSA-N 346.792 1.382 0 40 EDAB CCn1cc(C(=O)NCCN2CCOCC2)c(=O)c2cc(C)ccc21 408712971 DVOKMPQXQUQJDC-UHFFFAOYSA-N 343.427 1.392 0 40 EDAB Cn1c(N2CCC[C@@H](C(=O)Nc3nc[nH]n3)C2)nc2ccccc21 72324287 ILTVPPFQNQRTAE-LLVKDONJSA-N 325.376 1.547 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1ccc(NCCOC)c(C(=O)O)c1 217658153 IWJVBZGSWNLOLX-NSHDSACASA-N 344.433 1.910 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NS(=O)(=O)c2cnccn2)o1 152454724 OWIYMFMMCOOHBI-VSEZHWFZSA-N 333.369 1.711 0 40 EDAB CN1CCC[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 78572267 MFHGRXQUANWJDI-ZDUSSCGKSA-N 340.445 1.468 0 40 EDAB Cc1cccn2cc(CC(=O)NC[C@H](CO)Cc3cccnc3)nc12 567137177 UECOZUCFULSPKW-MRXNPFEDSA-N 338.411 1.548 0 40 EDAB Nc1ncc(Cl)cc1S(=O)(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 564058644 OKYIBUGJTXGDTK-SECBINFHSA-N 345.808 1.193 0 40 EDAB Nc1c(C(=O)N2CCCC2)nsc1C(=O)NCCc1ccccc1 62006776 AZXJXEJGIBCNEO-UHFFFAOYSA-N 344.440 1.934 0 40 EDAB COc1ccc(C(=O)N2[C@H](C(=O)O)COC23CCN(C)CC3)cc1 71979964 YUHPYOCFSDHQCC-AWEZNQCLSA-N 334.372 1.043 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)O)c2ncccc12 217695669 MGGRFQWFRBMYRH-UHFFFAOYSA-N 338.385 1.729 0 40 EDAB COc1ccccc1NC(=O)NCc1nccc(N2CCOCC2)n1 211096710 KBBNLASMXNFSGQ-UHFFFAOYSA-N 343.387 1.644 0 40 EDAB O=S(=O)(c1ccc(F)cc1)N1CCN(CCc2ccncc2)CC1 35310644 DBYWBSVSDGFLOH-UHFFFAOYSA-N 349.431 1.770 0 40 EDAB CN(C)CCN1C[C@@H](C(=O)NC2(c3ccccc3F)CC2)CC1=O 73821401 XNYNBCGZFQIECI-ZDUSSCGKSA-N 333.407 1.341 0 40 EDAB CC1(C)Oc2ccc(S(=O)(=O)N3CCSCC3)cc2NC1=O 46089311 CZKCVVFDTANZEO-UHFFFAOYSA-N 342.442 1.534 0 40 EDAB CCOCc1nn2c(=O)cc(COC(=O)c3ccco3)nc2s1 41077292 QUSMVPZMWYTUBK-UHFFFAOYSA-N 335.341 1.638 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)c3cccn3C)n2)cn1 225816452 KVSRTROFOZWLKV-UHFFFAOYSA-N 327.344 1.799 0 40 EDAB CCN1C(=O)COc2ccc(S(=O)(=O)NCc3cccnc3)cc21 227162009 WAOQZJHSCCIAHX-UHFFFAOYSA-N 347.396 1.305 0 40 EDAB C[C@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1nc(N)nc(N(C)C)n1 195536411 HGUQTLPCZHYAIT-WOSRLPQWSA-N 342.447 1.870 0 40 EDAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C)c1 223671806 AGJDHVFFTDRHPS-HOTGVXAUSA-N 344.440 1.956 0 40 EDAB C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1cnn(CC2CC2)c1 195578893 BWTPQXWCOYJDOJ-KGLIPLIRSA-N 340.493 1.692 0 40 EDAB O=C(c1cc[nH]n1)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96073175 AIPVMPYIYHNBTH-HNNXBMFYSA-N 342.399 1.785 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)N3CCO[C@@H](C)C3)C2)c1 96403176 UGSWJQSZPMNVNA-LSDHHAIUSA-N 333.432 1.952 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96224338 IBXAHPSNFMSJGW-INIZCTEOSA-N 337.445 1.246 0 40 EDAB CC(C)[C@@H](NC(=O)N1CC[C@]2(CCOC2)C1)c1nnc2n1CCC2 96461954 SARQDYFTIIMLOR-PBHICJAKSA-N 333.436 1.743 0 40 EDAB O=S(=O)(C1CC1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 96046522 IULVIJPDGLBUSR-UHFFFAOYSA-N 335.473 1.862 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)Cn1c2c(sc1=O)CCCCC2 96447945 VPHKHSGTSHWKOC-UHFFFAOYSA-N 334.445 1.571 0 40 EDAB CO[C@@H]1CCN(Cc2ccc3c(c2)OCO3)[C@H]1Cc1cnn(C)c1 96200192 XXFPWOACTYTGBJ-JKSUJKDBSA-N 329.400 1.981 0 40 EDAB CCOC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cnn(CC3CC3)c21 96198413 PATUWAGZTKUUHH-AWEZNQCLSA-N 342.465 1.035 0 40 EDAB CN(C)CCN1C(=O)CC[C@@]12CCCN(C(=O)C1CC=CC1)CC2 96217753 NPTHDVUEJCLEEN-LJQANCHMSA-N 333.476 1.888 0 40 EDAB Cn1cc([C@H]2CC(=O)NC23CCN(C(=O)c2ccc[nH]2)CC3)cn1 96199802 DRXHWVBLHLANOJ-CYBMUJFWSA-N 327.388 1.027 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)cn1 583616744 MGPWJRBRZKJHAN-KFWWJZLASA-N 327.450 1.514 0 40 EDAB COCCN1CC[C@]2(COCCN(Cc3ccc(OC)cc3)C2)C1 96062311 YSLDMFZEJGEHKV-IBGZPJMESA-N 334.460 1.866 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1 96061189 SZYSRNWQBDFHJC-HNNXBMFYSA-N 332.400 1.960 0 40 EDAB O=C(CN1CCO[C@H](c2nccs2)C1)NCCOc1ccccc1 97203761 UABJUGZDGBPABP-HNNXBMFYSA-N 347.440 1.712 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)C[C@H](Oc1ncccc1F)CO2 96107052 KSJJWPZQURLPDT-ZDUSSCGKSA-N 337.395 1.311 0 40 EDAB O=C1CC[C@H](C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)N1 240244146 DKFXBOUYXDZZJH-OLZOCXBDSA-N 340.326 1.467 0 40 EDAB Cc1ccccc1/C=C\C(=O)NCCn1nnc2ccccc2c1=O 252539619 OELRLUZWFMEDJE-KHPPLWFESA-N 334.379 1.930 0 40 EDAB C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H](CO)c1nncn1C 585128112 RXEBBCGTOIXAIC-ONGXEEELSA-N 340.836 1.799 0 40 EDAB CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2Cc2nccn2C)n1 257294638 QVAFGVGXVZUVNB-QGZVFWFLSA-N 328.420 1.389 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)n1 257244846 INBCKIYKIOAWBS-HNNXBMFYSA-N 328.372 1.006 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@@H]1c1ccnc(O)n1 257261950 LJKHCQNHLQNKCQ-SNVBAGLBSA-N 341.293 1.761 0 40 EDAB CS(=O)(=O)N1CCCN(CCCOc2ccc(F)cc2)CC1 43614319 CCXCHFFJAMKUPF-UHFFFAOYSA-N 330.425 1.562 0 40 EDAB CC(=O)NCc1cccc([C@@H]2CCCN2C2CCN(C(C)=O)CC2)n1 257285996 PJSVVGUNGSQEGO-IBGZPJMESA-N 344.459 1.866 0 40 EDAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)c1ncc[nH]1 257310010 UDILYHGXDKZLEN-DTDBQYNISA-N 334.464 1.886 0 40 EDAB Cc1ccnc([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257230404 GCEBUKQXCXRXEY-OAHLLOKOSA-N 331.347 1.903 0 40 EDAB COC(=O)[C@H]1CCn2c(nnc2-c2cc(Br)cn2C)C1 601044165 HZESDWTWODFWLS-QMMMGPOBSA-N 339.193 1.782 0 40 EDAB CC(C)OCCCNC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 36601638 MZHFKJDYURPYLM-CQSZACIVSA-N 333.388 1.059 0 40 EDAB biogenic CCn1ncnc1-c1ccc(C(=O)N[C@@H]2C[C@@H](N)C23CCC3)cc1 1615554591 MFUHYDJAXOPZFS-HUUCEWRRSA-N 325.416 1.965 0 40 EDAB COc1ccc(C(=O)NCc2ccnc(N3CCCC3=O)c2)cn1 575608280 MRPGEJWBDDMPEB-UHFFFAOYSA-N 326.356 1.542 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)c3ccncc3)CCO2)c1 585277426 WHZJNUULZLBSFY-LJQANCHMSA-N 326.396 1.836 0 40 EDAB O=C(COc1cccc(Cl)c1)N1Cc2ccnn2CC[C@H]1CO 585096748 CBAYWAILCRZAPF-AWEZNQCLSA-N 335.791 1.709 0 40 EDAB CN1CCCN(C(=O)[C@@H]2CN(C)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772596015 YUXKAAJYLCIYME-RYRKJORJSA-N 329.444 1.462 0 40 EDAB CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 5026392 ICDDDAYJHVWKTF-UHFFFAOYSA-N 328.390 1.225 0 40 EDAB CCn1nnc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 5250439 CFUMOVNMRUNPDQ-UHFFFAOYSA-N 339.403 1.576 0 40 EDAB COCC(=O)N1CCC[C@H]1Cn1nc(-c2cccs2)ccc1=O 12326988 UKRIRFUAFHGJQV-LBPRGKRZSA-N 333.413 1.609 0 40 EDAB NC(=O)[C@@H]1CCCCN1CC(=O)Nc1ccc(OC(F)(F)F)cc1 12699244 SKECWWQQQSBBJF-LBPRGKRZSA-N 345.321 1.864 0 40 EDAB CC(=O)N1CCC[C@H](c2cc3cccnc3n2CC(=O)N(C)C)C1 19017035 UAZWYSGBJPFHGA-HNNXBMFYSA-N 328.416 1.850 0 40 EDAB O=S1(=O)NC(c2ccnc(N3CCCC3)n2)=Nc2ccccc21 19375692 ZYJKFNUAMGPJCV-UHFFFAOYSA-N 329.385 1.447 0 40 EDAB COCCn1nnnc1[C@@H](C(C)C)N1CCN(C2CCCC2)CC1 19446011 AGSOBQVZGWFWEQ-MRXNPFEDSA-N 336.484 1.577 0 40 EDAB COCCc1nnc(NS(=O)(=O)c2cn(C(C)C)nc2C)s1 19583344 JSEGHXLVECWNBN-UHFFFAOYSA-N 345.450 1.614 0 40 EDAB O=C(c1cnn2cccnc12)N1CCC(CCN2CCOCC2)CC1 19657723 BGMWZDTYKPQOBX-UHFFFAOYSA-N 343.431 1.304 0 40 EDAB CO[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CCO1 521394017 YZCOKCNOYLVBEV-LLVKDONJSA-N 336.207 1.443 0 40 EDAB CSc1ccc(CCC(=O)N2CC[C@H](N3C(=O)CNC3=O)C2)cc1 575607529 UQDZITLCDWTRMV-ZDUSSCGKSA-N 347.440 1.494 0 40 EDAB C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCC(=O)N(C)CC1 585142041 NBUIHVMXDMLBIM-NSHDSACASA-N 332.429 1.787 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC(Oc2cccnc2)C1 238869486 MNXVKRDKRBYWHJ-UHFFFAOYSA-N 334.397 1.851 0 40 EDAB O=C(c1cnco1)N1CC2(C[C@@H](NCc3cccnc3)CS2)C1 2056224774 VGMAGZTWVJPWDS-CYBMUJFWSA-N 330.413 1.560 0 40 EDAB Cc1ccc(NC(=O)Cn2ccn(-c3ccccc3)c(=O)c2=O)cc1 4313309 WNQLMOXVGWFDOQ-UHFFFAOYSA-N 335.363 1.946 0 40 EDAB CCOCCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 4479570 PJHZSNINJDGQMF-CYBMUJFWSA-N 335.404 1.526 0 40 EDAB CCOC(=O)CCNC(=O)NC[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 9040470 NRYOALYDRCXHMR-AWEZNQCLSA-N 347.415 1.600 0 40 EDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2ccsc2)C1 2055772009 QLUNSSKVMGHWQJ-KRWDZBQOSA-N 346.456 1.593 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 2055815528 ZCCYGSDCQPAMBI-APWZRJJASA-N 345.443 1.564 0 40 EDAB O=S(=O)(CCc1ccccc1)NCC1(N2CCOCC2)CCC1 1775973346 GGZRYQSAAZAMAV-UHFFFAOYSA-N 338.473 1.403 0 40 EDAB Cc1nccc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086881785 AXXGAVFMVOXSLO-LBPRGKRZSA-N 326.347 1.248 0 40 EDAB Cn1c(C(F)(F)F)nn(C2CCN(Cc3cccnc3)CC2)c1=O 575615953 LRQUYVMMUVVVBB-UHFFFAOYSA-N 341.337 1.833 0 40 EDAB CCN1CCN(C(=O)NCc2ccc(-c3ccoc3)nc2)C(=O)C1=O 575614874 AAMLWKJFYJGXNB-UHFFFAOYSA-N 342.355 1.242 0 40 EDAB CCOc1ccc(CC(=O)N2CC[C@@H](n3cc(COC)nn3)C2)cc1 585149686 PCJVXYAPGIVPMC-MRXNPFEDSA-N 344.415 1.839 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](O)c1cn(C)c2ccccc12 96096482 FNBSXZRSSJCAHP-HNNXBMFYSA-N 349.412 1.795 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c1nc1n2CCN1c1ccc2ccccc2c1 494277 SZIYSXFSJXKKTD-UHFFFAOYSA-N 333.351 1.728 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NCc2ccccc2Cn2cncn2)C1 40086270 ZXLCWOUIQAVZHZ-CQSZACIVSA-N 349.460 1.393 0 40 EDAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)cc1 100171800 CGGHNGQHQKAQJH-XHSVMWQWSA-N 327.336 1.696 0 40 EDAB Cc1ccc([C@@H](CNC(=O)c2ccc[nH]c2=O)N2CCOCC2)o1 40477368 RTTXZROLARVXFJ-CQSZACIVSA-N 331.372 1.080 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(O)nn3)cn2)C[C@@H](C)O1 40535804 NRJFEIIJVVPKCI-VXGBXAGGSA-N 343.387 1.121 0 40 EDAB O=C(CCCc1nc(-c2ccccc2)no1)N[C@@H]1CCCCNC1=O 40521728 UPHRLEGNRFYAFY-CQSZACIVSA-N 342.399 1.844 0 40 EDAB O=C(NCCN1CCOCC1)c1nc(-c2ccc3cc[nH]c3c2)no1 20677342 ZFHLXCJOHCIGTB-UHFFFAOYSA-N 341.371 1.280 0 40 EDAB Cc1occc1C(=O)NCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101572219 RLXYULJYAPLUFG-JURCDPSOSA-N 328.368 1.515 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1CCOc1ccccc1Cl 20943644 MGHFCBVDCNURAE-GFCCVEGCSA-N 326.780 1.082 0 40 EDAB CS[C@H](C)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 32635655 SRMNSNKUOUFVMG-GFCCVEGCSA-N 345.472 1.608 0 40 EDAB CC(=O)N1CCC(NC(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 32748118 KKGUXKSCFVKIIJ-UHFFFAOYSA-N 338.791 1.852 0 40 EDAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CC[C@H](C(N)=O)C1 41128851 GUYXYBHBNFRHBY-ITKZLYELSA-N 338.839 1.848 0 40 EDAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H](C(N)=O)C1 41128867 REHRILAIKZPRGJ-UWVGGRQHSA-N 341.205 1.550 0 40 EDAB Cc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)no1 32814826 UKDFPTVXBAVCNL-UHFFFAOYSA-N 335.385 1.688 0 40 EDAB COC(=O)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 210366 NUQPBQGXQKBZAJ-UHFFFAOYSA-N 340.401 1.083 0 40 EDAB COc1ccc(CNC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 412278 AUNSJVBWWOQENG-UHFFFAOYSA-N 341.346 1.804 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H]1N(C)C 78896651 PLUSHZALKKHQKX-GWCFXTLKSA-N 344.864 1.766 0 40 EDAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 52659878 CGZWNQZTKJOLST-BBRMVZONSA-N 349.406 1.476 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CC[S@@](=O)C(C)(C)C1 79074622 DVXQAFWUAGZKPA-RFIQDPTOSA-N 343.493 1.234 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)c1cccnc1N1CCOCC1 33117215 GUURRANVJMKVAX-OAHLLOKOSA-N 339.395 1.652 0 40 EDAB O=C1C[C@@H](n2nnn(-c3ccccc3Cl)c2=S)[C@H]2CO[C@H]1O2 103003153 QOANVVRGSJBXIG-JLLWLGSASA-N 338.776 1.707 0 40 EDAB CC1(C)NC(=O)N(CCCSc2nnc(-c3ccc[nH]3)o2)C1=O 41575166 LISKRGMLZSQMSU-UHFFFAOYSA-N 335.389 1.877 0 40 EDAB CCc1ccsc1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 53090429 LXZHLWQBHHBTBI-CYBMUJFWSA-N 342.486 1.255 0 40 EDAB COC(=O)c1c(NC(=O)COC(=O)c2cnccn2)sc(C)c1C 6486210 YNTYWLMZYQTQSR-UHFFFAOYSA-N 349.368 1.737 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN([C@H](C(N)=O)c3ccc(F)cc3)C2)o1 84258650 LEGOSYZJYYOMHF-RDJZCZTQSA-N 346.406 1.855 0 40 EDAB C[C@@H](NC(=O)c1ccccc1N1CCOCC1)C(=O)N1CCCC1 61199094 KIMGDHQKHWOIPS-CQSZACIVSA-N 331.416 1.264 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1cccnc1OCC(F)(F)F 97197557 INPJAQKZLCKQDC-JTQLQIEISA-N 340.305 1.964 0 40 EDAB O=C(CCc1nc(-c2cccnc2)no1)N[C@@H]1CCc2nccn2C1 97197888 IBKZTOKIECNWHA-CYBMUJFWSA-N 338.371 1.392 0 40 EDAB O=C(NC1CCCCCC1)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23584680 DUXRDVPDFKXNSN-MRXNPFEDSA-N 342.505 1.725 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)NCc1nnc2ccccn12 23692848 QBDLZAFOUXLBMI-UHFFFAOYSA-N 330.369 1.063 0 40 EDAB CCN(CC)c1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 54005064 NPEAMHYNXVHSQH-ZIAGYGMSSA-N 339.486 1.393 0 40 EDAB Cn1cnnc1C1CCN(C(=O)Cc2noc3ccccc23)CC1 24692069 YPJGXJMILVQNDI-UHFFFAOYSA-N 325.372 1.905 0 40 EDAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CCc1cnn(C)c1 55175702 MYUSGPXUPJCJOK-UHFFFAOYSA-N 340.427 1.904 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2cc(F)cc3nccnc23)CC1 106401239 CTAGTLWOPFGTGT-UHFFFAOYSA-N 332.379 1.298 0 40 EDAB O=C(CNC(=O)N[C@H]1CCN(c2ccccc2)C1)Nc1cccnc1 106554620 ATOUHKLRNDQMQQ-HNNXBMFYSA-N 339.399 1.598 0 40 EDAB C[C@H](O)[C@H]1CCCCN1Cc1nnc2n(C)c(=O)c3ccccc3n12 69703608 PSQYAMYGKBQIGJ-GXTWGEPZSA-N 341.415 1.317 0 40 EDAB CC(C)c1ccccc1OCCNS(=O)(=O)N1CCOCC1 69739931 SURPFPDPJMOWPG-UHFFFAOYSA-N 328.434 1.355 0 40 EDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCCOC)ccc21 57280328 QAIVXERGPIXTCK-UHFFFAOYSA-N 340.445 1.646 0 40 EDAB C[C@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccc1 12617600 BHPWLGQQSHYLFI-LBPRGKRZSA-N 325.372 1.398 0 40 EDAB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccn4)n(C)c3nc12 37866993 XFCFAHNXKJUBLA-UHFFFAOYSA-N 347.378 1.820 0 40 EDAB CC(C)C[C@H](C(=O)N1CCN(C)CC1)N1C(=O)c2ccccc2C1=O 24632038 KVYZYHVZYCXZMM-MRXNPFEDSA-N 343.427 1.471 0 40 EDAB COC(=O)c1cc(CN(C)C[C@@H](O)COCc2ccco2)oc1C 57981067 QABDASKWJZLXHQ-CYBMUJFWSA-N 337.372 1.977 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)nc2c1c(C)nn2C 58048054 SKXMBNXFORYXFW-JOYOIKCWSA-N 331.420 1.618 0 40 EDAB O=C([C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1)N1CCCC1 58192210 BLVGOCNJZAAWNO-HNNXBMFYSA-N 340.420 1.991 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)N2CCCC[C@H]2C)c1 58264606 LQSZODKCOLEKCI-CYBMUJFWSA-N 339.461 1.820 0 40 EDAB COCCCNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 113967522 ANJYTHXEYAHPEO-UHFFFAOYSA-N 342.461 1.694 0 40 EDAB CCOc1ccc(C(=O)NCC(=O)N(CC)C[C@@H]2CCOC2)cc1 58216317 VUKBVMNGXFISLA-AWEZNQCLSA-N 334.416 1.700 0 40 EDAB C[C@H](NC(=O)CSc1ccc(F)c(F)c1)C(=O)N1CCOCC1 58280951 BIDRASHLGRAZBM-JTQLQIEISA-N 344.383 1.420 0 40 EDAB Cc1cc(N2CCN(C(=O)c3cnc(C)s3)CC2)n2ncnc2n1 58292981 KAHMTKKEPCZKIH-UHFFFAOYSA-N 343.416 1.160 0 40 EDAB Cc1ccc(NC(=O)C2CCN(CC(=O)N[C@H](C)C3CC3)CC2)nc1 58324866 KUBLQIGKTLSPCM-CQSZACIVSA-N 344.459 1.955 0 40 EDAB CO[C@@H](C(=O)N1CCN(C(=O)CC(F)(F)F)CC1)c1ccccc1 58392415 FEXDTZZTLYPACY-CQSZACIVSA-N 344.333 1.997 0 40 EDAB CC(C)[C@@H](NC(=O)CN1CSCC1=O)c1nnc2ccccn12 58305416 SLBBSAHNRKLWOC-CQSZACIVSA-N 333.417 1.076 0 40 EDAB O=C(NCCNc1ncccn1)NC[C@@H]1COc2ccccc2C1 45128763 MHAGDDLAYOBZBR-CYBMUJFWSA-N 327.388 1.439 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(C(=O)C3CC3)CC2)c1C 36386218 BVOSMCAEUPTHPM-UHFFFAOYSA-N 331.416 1.571 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 45310892 OOYGTTMXAXPWOO-VXGBXAGGSA-N 325.434 1.250 0 40 EDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N1CCC[C@H](C)C1 29509996 QROKUYVFNAMXSL-NSHDSACASA-N 343.431 1.636 0 40 EDAB CN(CCCOc1ccccc1)C(=O)CN[C@H]1CCc2ncnn2C1 69814187 VVHZFGAQVCVASV-HNNXBMFYSA-N 343.431 1.110 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1cc(C)nn1C 69951202 WXNSVIHRGZXZDS-GJZGRUSLSA-N 333.436 1.142 0 40 EDAB CCc1ccc([C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C)o1 69981087 RFEMOXVNAFSVFT-OAHLLOKOSA-N 333.388 1.596 0 40 EDAB COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(C)=O)cc1 4192804 DAWDECRXIDSIMR-GMXVVIOVSA-N 332.278 1.505 0 40 EDAB CCN1C(=S)N(c2ccc3c(c2)OCO3)[C@H]2CS(=O)(=O)C[C@@H]21 13720317 UQTULVTYFRDMRQ-QWRGUYRKSA-N 340.426 1.008 0 40 EDAB CC(C)N1C(=O)c2cccc3c(N)c(S(=O)(=O)O)cc(c23)C1=O 5230792 DQESPKCSXCDLQG-UHFFFAOYSA-N 334.353 1.673 0 40 EDAB C[C@H]1CN(C(=O)NC2CCN(CCc3ccncc3)CC2)C[C@H](C)O1 65592331 DZFXDNNWQXSGJK-HOTGVXAUSA-N 346.475 1.907 0 40 EDAB NC(=O)[C@H](OC(=O)c1ccc(Cn2cncn2)cc1)c1ccccc1 14148786 VIXPYZXYTSKMBI-MRXNPFEDSA-N 336.351 1.710 0 40 EDAB Cc1nnc2ccc(N3CCC(C(=O)NCCC(C)C)CC3)nn12 20731445 KSRYZANWSRAPND-UHFFFAOYSA-N 330.436 1.811 0 40 EDAB CCOC(=O)CCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 6588872 VDDWTQFVHCPRQH-UHFFFAOYSA-N 328.390 1.267 0 40 EDAB O=C(O)c1ncccc1C(=O)N1CCN(c2ccccc2F)CC1 4661276 RMIWGYMKCAOEJS-UHFFFAOYSA-N 329.331 1.881 0 40 EDAB O=C(CNC(=O)c1cnc2ccccn2c1=O)OCc1ccccc1 14848829 QJBQIYVMGOCFLZ-UHFFFAOYSA-N 337.335 1.168 0 40 EDAB O=C(CSc1nnc2[nH]c3ccccc3n12)NC[C@H]1CCCO1 6909664 KEAWPEMSQUPKEM-SNVBAGLBSA-N 331.401 1.598 0 40 EDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OC 4987070 IUFIILLEZNUMBX-OAHLLOKOSA-N 344.371 1.765 0 40 EDAB CCOC(=O)C1=C(C(=O)OCC)[C@@H](c2ccc(OC)cc2)NC(=O)N1 4977354 PKIIZUSHWFUWGE-CYBMUJFWSA-N 348.355 1.429 0 40 EDAB C/C(=C\C(=O)NC1CCN(CC(=O)NC2CC2)CC1)c1ccccc1 96035607 FUOKOGYQPOSNOW-FYWRMAATSA-N 341.455 1.949 0 40 EDAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 96010781 CYFWBZUUDDIQFH-VUCTXSBTSA-N 329.375 1.783 0 40 EDAB CNC(=O)NC(=O)CCN(CC(C)C)C[C@@H](O)c1ccc(F)cc1 70019664 GSFYVVNTBGVTCS-OAHLLOKOSA-N 339.411 1.663 0 40 EDAB CCN1C[C@H](C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1=O 69392818 AFJQUAWAGOTILC-LSDHHAIUSA-N 349.500 1.945 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 69327148 IOPRKNBUBVLBRI-GFCCVEGCSA-N 345.399 1.924 0 40 EDAB Cc1ccccc1N1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 17070509 OYECIGSYRLVVFC-UHFFFAOYSA-N 334.445 1.548 0 40 EDAB COCCN(C)CCCNC(=O)c1ccccc1N1CCOCC1 69454315 WXIQWKARMUCBMK-UHFFFAOYSA-N 335.448 1.221 0 40 EDAB COc1ccc(-c2nc(CCNC(=O)[C@@H](C)n3cncn3)co2)cc1 69518894 VNVRRBXMIQUESX-GFCCVEGCSA-N 341.371 1.862 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@@H](C)n2cncn2)C1 69518714 AFYPZOVHVBRDTJ-DGCLKSJQSA-N 349.822 1.896 0 40 EDAB O=C(Cn1cccn1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 71862880 RPYJATFJXCHVHI-UHFFFAOYSA-N 334.326 1.146 0 40 EDAB Cc1nc(CN2CCC[C@H](N(C)CC(=O)Nc3ccncc3)C2)no1 71870547 QLCHXHYSMUGIGT-HNNXBMFYSA-N 344.419 1.308 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC[C@@H]1Cn1cccn1 71866293 KXWYNQGUBIMCBF-LLVKDONJSA-N 327.344 1.326 0 40 EDAB COC(=O)N1CCC[C@@H](C(=O)OCc2nc(-c3cccnc3)no2)C1 83891386 ZNMUOYBRHYSYFC-GFCCVEGCSA-N 346.343 1.653 0 40 EDAB Cc1[nH]cc(C(=O)OCC(=O)N2CCCC2)c(=O)c1Br 84008160 HFWJGADCENKVGW-UHFFFAOYSA-N 343.177 1.225 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cnn(Cc2ccccc2)c1 84544704 UTFQVBLVAZLKGQ-CQSZACIVSA-N 333.413 1.695 0 40 EDAB C[C@H](C(=O)NCc1ccco1)N1CCC(N2CCN(C)C2=O)CC1 72267485 OFSDBOWZVPOMLI-CYBMUJFWSA-N 334.420 1.116 0 40 EDAB CN(CC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)Cc1ccccc1 72269423 LDNPVVFNWOHNKU-ROUUACIJSA-N 331.460 1.176 0 40 EDAB CCCC(=O)N1CCC(Nc2cc(N3CCC[C@H]3CO)ncn2)CC1 72276238 JXIVWVCSWLAXRX-HNNXBMFYSA-N 347.463 1.641 0 40 EDAB CN(c1cccnn1)C1CCN(C(=O)CCc2nccs2)CC1 72279600 IEWAZFIZKIIVLS-UHFFFAOYSA-N 331.445 1.993 0 40 EDAB Cn1cc(NC(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)cn1 72285385 NAWVAICHDZAEHV-UHFFFAOYSA-N 331.380 1.030 0 40 EDAB C[C@@H](C(=O)N[C@@H]1CCc2nccn2C1)c1ccc2c(c1)OCCO2 72232580 JZNAEQNLLOUNCU-TZMCWYRMSA-N 327.384 1.889 0 40 EDAB CN(C(=O)c1ccc(=O)[nH]n1)[C@H]1CCN(c2ccccc2Cl)C1=O 72277560 XTILQDCWMJLCEU-ZDUSSCGKSA-N 346.774 1.301 0 40 EDAB CN1CCC[C@@H](CNC(=O)c2nccnc2N)[C@@H]1c1ccccc1 95396800 PIVKPKWOFZITRL-HOCLYGCPSA-N 325.416 1.872 0 40 EDAB C[C@@H](NC(=O)NC[C@@H]1COCCO1)c1cccc(N2CCOC2=O)c1 84656091 NZPMFNSLBUSODQ-IUODEOHRSA-N 349.387 1.419 0 40 EDAB Cc1cc(C)c(CCNC(=O)CN2CCCN(C(N)=O)CC2)c(C)c1 95418140 PTZZKKQDAZQACY-UHFFFAOYSA-N 346.475 1.357 0 40 EDAB COc1cc(CN[C@H]2CCN(c3cc(C)nn3C)C2=O)ccc1F 95437394 SMSBVJMLGHRARX-AWEZNQCLSA-N 332.379 1.771 0 40 EDAB O=C(NCc1ccco1)C(=O)Nc1ccnn1Cc1ccccc1F 95440883 JIPVUCHLHNLYHI-UHFFFAOYSA-N 342.330 1.918 0 40 EDAB O=C(c1ccncc1)N1CCN(C(=O)c2ccc(Cl)cn2)CC1 95433517 XHYSJRMZDTUBFU-UHFFFAOYSA-N 330.775 1.728 0 40 EDAB CC(=O)N(C)Cc1ccccc1NCC(=O)Nc1cc(C)nn1C 85272050 BCSBLTXRESQEIW-UHFFFAOYSA-N 329.404 1.757 0 40 EDAB CC(C)[C@@H](O)CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1ncon1 95981254 YRYAGNFXGQQHHY-JSGCOSHPSA-N 325.315 1.960 0 40 EDAB Cc1[nH]c(=O)c(C(=O)N(C)CCOCC2CC2)cc1Br 95944000 HLVCELCLKCFQOF-UHFFFAOYSA-N 343.221 1.944 0 40 EDAB CCN1CCN(C(=O)NCCc2cccc(C(=O)N(C)C)c2)CC1 74569022 TUUYUCTVFJSHGD-UHFFFAOYSA-N 332.448 1.278 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c(=O)[nH]1 75125200 NLNWHUOZHDDTQP-OAHLLOKOSA-N 325.368 1.214 0 40 EDAB C[C@H](CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O)N1CCOCC1 75117591 IXBJUENQJMCHNB-CQSZACIVSA-N 341.411 1.492 0 40 EDAB O=C(C[C@H](O)c1cccc(F)c1)N1CCC[C@H]1CN1CCOCC1 89774711 AQERTTLIEAWVGY-IRXDYDNUSA-N 336.407 1.572 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)Nc1c[nH]cc(Br)c1=O 89990076 MIDGCBPINWXTTD-UHFFFAOYSA-N 339.193 1.669 0 40 EDAB O=C(c1ccc(OCC(F)(F)F)o1)N1CC[C@H](c2nn[nH]n2)C1 1548761876 IWPXJUMNPBSALV-ZETCQYMHSA-N 331.254 1.364 0 40 EDAB COCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 72339018 TUFJQCMCRDPHPX-XXZHDZSNSA-N 344.411 1.704 0 40 EDAB C[C@H](NC(=O)NCc1ncnn1C)c1nc(C2CCCCC2)no1 74909423 UIAHHDCCBYCHML-JTQLQIEISA-N 333.396 1.806 0 40 EDAB Cc1cc(C)c(N(C[C@@H](O)CN2CCCC2)S(C)(=O)=O)c(C)c1 31903759 MCTWEIMWPPQLHW-INIZCTEOSA-N 340.489 1.835 0 40 EDAB O=C(O)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl 32624151 DLSPQXQEJWNONV-UHFFFAOYSA-N 330.724 1.941 0 40 EDAB O=C(O)c1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1 72402990 FBIGBCZDZKEUSR-UHFFFAOYSA-N 327.344 1.529 0 40 EDAB O=C(CCn1ccnc1)N1CCN(c2nncc3ccccc23)CC1 73102219 LHKRFHXGKZDCHO-UHFFFAOYSA-N 336.399 1.565 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(c3cc(C)ncn3)CCN2C)c1 72367680 BGPMWWTZIHJZEM-INIZCTEOSA-N 325.416 1.638 0 40 EDAB Cn1nc(N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)ccc1=O 75166414 WKFRWWVJEJLECO-LLVKDONJSA-N 348.353 1.914 0 40 EDAB O=C(NCC[C@@H]1CCN(C(=O)c2ccns2)C1)c1ccns1 1059751037 TUQPDSPRWDSFLI-SNVBAGLBSA-N 336.442 1.882 0 40 EDAB CNC(=O)Cc1csc(NC(=O)Cc2noc3ccccc23)n1 44442605 GGUUTYXIRZTCLK-UHFFFAOYSA-N 330.369 1.754 0 40 EDAB COCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 224252010 CONUOPLGWGGWPZ-UHFFFAOYSA-N 348.424 1.888 0 40 EDAB CS(=O)(=O)N(Cc1ccc(F)cc1)Cc1ncc(C(=O)O)cn1 49468369 SINKLFLDNNFSAH-UHFFFAOYSA-N 339.348 1.276 0 40 EDAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2ccc(Cl)s2)C1 225677264 KWDQEQSDVWMZSQ-UHFFFAOYSA-N 345.833 1.433 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(OCc2nnc(N)s2)cc1 222643774 WVNZPERFXXXJIA-UHFFFAOYSA-N 342.446 1.730 0 40 EDAB O=C([C@@H]1CCc2ccccc2O1)N1CCC(c2nnc(O)o2)CC1 571397495 YTRUJECUFFCJRJ-AWEZNQCLSA-N 329.356 1.875 0 40 EDAB O=C([C@@H]1OCCc2ccccc21)N1CCO[C@@H](Cn2cccn2)C1 133102764 HNDKDGHXYAIUOJ-NVXWUHKLSA-N 327.384 1.425 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@](C)(O)c1ccco1 81836745 NAULMCTXMLHHAA-KRWDZBQOSA-N 333.388 1.606 0 40 EDAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccncc1 85467729 JJFDCIIOKJNGGL-INIZCTEOSA-N 342.374 1.587 0 40 EDAB COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2ccc(C)o2)C1 190836157 XKHTYCRHWBKFHG-HNNXBMFYSA-N 330.450 1.460 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 96109077 RUJIJHQDTMVXTM-ACJLOTCBSA-N 345.374 1.727 0 40 EDAB CN1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3ccccc3)CC[C@@H]21 96185622 RYQMMKFJDXRJRI-IKGGRYGDSA-N 325.416 1.513 0 40 EDAB CN(C)C(=O)CN1CC[C@]2(CCCN(CCOc3ccccc3)C2)C1 96216449 UAXVBWNVCNIDTL-FQEVSTJZSA-N 345.487 1.942 0 40 EDAB O=C(N1CCCC1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96209400 JEJIGXXOABLMSW-SJLPKXTDSA-N 331.416 1.762 0 40 EDAB CC(C)C(=O)N1CCN(Cc2ccccn2)C[C@]2(CC(=O)N(C)C2)C1 96036058 IKIKYGHJEDJHFK-LJQANCHMSA-N 344.459 1.230 0 40 EDAB Cc1nsc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 266017816 PBWQHVGKTBSXKP-UHFFFAOYSA-N 330.339 1.982 0 40 EDAB Cc1ccc(OCCC(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)c(C)c1 583617684 DZYUUSPMPDMWQV-SFHVURJKSA-N 344.415 1.701 0 40 EDAB CC1=N[C@@]2(CC[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]32)C(=O)N1CC(C)C 96261531 YCHLBVKHPNAABL-ZIFCJYIRSA-N 343.475 1.917 0 40 EDAB COc1ccc(CNC[C@H]2COCc3nc4cccnc4n32)cn1 96112803 DZVXGGHZTINHDF-ZDUSSCGKSA-N 325.372 1.696 0 40 EDAB biogenic,in-vitro COCCN1CC[C@@]2(COCc3c(C)nc(NCC4CC4)nc32)C1 96244527 REMIYRPPODYFLC-SFHVURJKSA-N 332.448 1.727 0 40 EDAB COC(=O)Cn1ncc2c(=O)n(CCCc3ccccc3)cnc21 96411929 ROSHZDSNKVCAED-UHFFFAOYSA-N 326.356 1.399 0 40 EDAB CC(C)C(=O)NC[C@]12COC[C@H]1CN(CCOCc1ccccc1)C2 96206729 AKTAKDPOIJUGNJ-QUCCMNQESA-N 346.471 1.924 0 40 EDAB O=C1COC2(CCN(Cc3ccoc3)CC2)CN1c1cncnc1 96159139 IKGANXZQTMMFEI-UHFFFAOYSA-N 328.372 1.468 0 40 EDAB CCS(=O)(=O)NC[C@H]1CN(Cc2ccc(C)o2)Cc2ccnn21 248098319 NBAYPNHLCYIBSV-AWEZNQCLSA-N 338.433 1.281 0 40 EDAB COc1cc(CNC(=O)CCN2C(=O)COc3ccccc32)ccn1 42621554 FJEHEOFARVZXCG-UHFFFAOYSA-N 341.367 1.522 0 40 EDAB C[C@@H]1c2nc(C(=O)N3CCOCC3)cn2CCN1Cc1nccs1 253590475 BOSWGMRQBKFEFV-GFCCVEGCSA-N 347.444 1.389 0 40 EDAB COCC(=O)N1CCC(c2nc(C)cc(-c3cc(C)n[nH]3)n2)CC1 257215972 CSMJSUIZXGLPKH-UHFFFAOYSA-N 329.404 1.836 0 40 EDAB O=C(NCc1ccnc([C@@H]2CCCOC2)n1)c1cnc(C2CC2)nc1 257244859 INBXSKFEVQSDOB-CYBMUJFWSA-N 339.399 1.968 0 40 EDAB CCn1cc(CN2CCC3(CC2)CN(C(C)=O)[C@](C)(CO)C3)cn1 257222145 DSCVKTZGYCRVKK-KRWDZBQOSA-N 334.464 1.488 0 40 EDAB Cn1ccnc1-c1cnc(C[C@@H]2CCN(C(=O)c3ccncc3)C2)cn1 257337621 YTOZSVZKIDPYSU-AWEZNQCLSA-N 348.410 1.977 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3snnc3C(C)C)CCO2)n1 257298655 RMUATLROUBFNDS-SNVBAGLBSA-N 349.416 1.679 0 40 EDAB Cn1cc(CN2CCC[C@H](CO)C2)c(I)n1 585136760 RKGYHBNGCBDTQW-VIFPVBQESA-N 335.189 1.229 0 40 EDAB COCc1ccccc1S(=O)(=O)N1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C 585129681 RRBPBIHMGMGKDA-YNEHKIRRSA-N 340.445 1.461 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCCN32)C1 585122075 MIODZXHAJMHIIG-IKGGRYGDSA-N 333.476 1.768 0 40 EDAB COc1ccc(CC(=O)N2C[C@@H](C(=O)O)CC[C@@H]2C(=O)O)cc1F 585134064 CEVPYOMAMWVEEN-CMPLNLGQSA-N 339.319 1.153 0 40 EDAB CN(C)C[C@@H]1COC2(CCCC2)CN1Cc1nnnn1C(C)(C)C 585116179 JTOSQBYTAGQAGG-CQSZACIVSA-N 336.484 1.503 0 40 EDAB COc1cccc(CN2CCC[C@@]2(C(N)=O)c2cnccn2)c1F 257231494 GGYUPVDNJDNTCR-KRWDZBQOSA-N 330.363 1.601 0 40 EDAB Cc1cncc(C2CCN(C(=O)CCCN3CCCC3=O)CC2)n1 257205711 BAHXJXNGYIQVPE-UHFFFAOYSA-N 330.432 1.894 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3C)CC2)cn1 257233819 GQWBDUVAZYLVHU-RDJZCZTQSA-N 342.399 1.533 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CCO1 257232501 GLCGYHDGRODEIZ-CYBMUJFWSA-N 330.392 1.001 0 40 EDAB CN(C)S(=O)(=O)N1CCC(c2cccc(-c3cc[nH]n3)n2)CC1 257326142 WVZSLPDPUOVKNJ-UHFFFAOYSA-N 335.433 1.458 0 40 EDAB CCn1c(O)nc2cc(C(=O)N3CC[S@@](=O)C[C@@H](C)C3)ccc21 597563782 CUBCHLWXBQZHQB-BSNNYGBQSA-N 335.429 1.602 0 40 EDAB COc1nc(CN2CCN(C)[C@H](c3nc(C)no3)C2)c(C)cc1C 606444879 XZJLPAOLDGMSFL-HNNXBMFYSA-N 331.420 1.887 0 40 EDAB CCSc1cccc(Cn2nnnc2N(C)C[C@@H]2COCCO2)c1 1616033263 MRYDQWAJMCRHDR-CQSZACIVSA-N 349.460 1.685 0 40 EDAB CCn1cc([C@@H]2OCCC[C@H]2NS(=O)(=O)N2CCCC2)cn1 1616024558 HCOWJYBVSQDZGB-KGLIPLIRSA-N 328.438 1.053 0 40 EDAB Cc1cccc(C(=O)N2CC3(C[C@H](OCC(=O)N(C)C)CCO3)C2)c1 575405374 HOVBYQXJCHWEQZ-MRXNPFEDSA-N 346.427 1.473 0 40 EDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1cn2c(C)cccc2n1 585279639 WMSYVNHDSZERJK-GOSISDBHSA-N 344.415 1.400 0 40 EDAB O=S(=O)(c1ccccc1)N1CC[C@@](O)(COc2ccccc2)C1 585276114 JXPNATVVIDJKLH-KRWDZBQOSA-N 333.409 1.891 0 40 EDAB CS(=O)(=O)NC[C@H]1CN(Cc2ccccc2F)Cc2ccnn21 585111921 JGDXKADAKJPICK-AWEZNQCLSA-N 338.408 1.128 0 40 EDAB CCOc1cccc2[nH]c(C(=O)N(CC)[C@@H]3COC[C@@H](O)[C@H]3O)cc12 585286034 HVVSPSJTOMJQHM-INMHGKMJSA-N 348.399 1.149 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N3CCOCC3(C)C)CC2=O)cc1 69420138 MZHWFQARMSVWFM-OAHLLOKOSA-N 346.427 1.681 0 40 EDAB C[C@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1Cc1nccn1C 69571439 FCCOVXWIHLNBCN-AWEZNQCLSA-N 345.491 1.231 0 40 EDAB c1ncn(C[C@@H]2CCCN2CCCOc2ccc3c(c2)OCO3)n1 69598326 BELPMRSOGRQISX-AWEZNQCLSA-N 330.388 1.940 0 40 EDAB Cc1cccn2cc(CNS(=O)(=O)c3cn(C(C)C)cn3)nc12 96002035 JWWIQRJQVNGMCH-UHFFFAOYSA-N 333.417 1.899 0 40 EDAB CC(C)c1nc(S(=O)(=O)NCC2(OCCO)CCCC2)cn1C 888107194 XIGOTBORLZVXSL-UHFFFAOYSA-N 345.465 1.144 0 40 EDAB O=C(CCCn1nnc(-c2ccccc2)n1)N1CCCO[C@@H](CF)C1 1615049289 MPRAFJMCAGIRKR-HNNXBMFYSA-N 347.394 1.707 0 40 EDAB CCn1c(=O)n(CC(=O)NCc2cccc(OC)c2)c2cccnc21 12117550 TUYSCXXHAFBWDA-UHFFFAOYSA-N 340.383 1.543 0 40 EDAB CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccccc3C(N)=O)ccc21 12647749 AJRSPBRDKRLGNJ-UHFFFAOYSA-N 345.380 1.105 0 40 EDAB Cc1nc2ccc(NC(=O)c3cc(=O)n(C)c(=O)n3C)cc2s1 19286590 OGONDBUNICVJLF-UHFFFAOYSA-N 330.369 1.254 0 40 EDAB CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(CC)CC1 19502126 VQMITMDPZCWEEE-HOTGVXAUSA-N 336.484 1.721 0 40 EDAB CNC(=O)[C@@]1(C)CN(C(=O)c2cccc3[nH]c(C)c(C)c23)CCO1 19746684 WHXDBPAEGVIOJP-GOSISDBHSA-N 329.400 1.762 0 40 EDAB CC1(C)CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3C[C@@H]1CCCO1 19818784 BSCWMJKWQPDVPB-JTQLQIEISA-N 343.383 1.419 0 40 EDAB COCc1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc1 583619561 QQTGHUOUIUMPHB-AEFFLSMTSA-N 339.395 1.930 0 40 EDAB Cc1nc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)co1 1888849787 KURHLLKURXRVRS-HZPDHXFCSA-N 325.368 1.600 0 40 EDAB O=C(NC1CC1)c1cn(C[C@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1888854723 YHXCABRIIKWTIP-AWEZNQCLSA-N 339.399 1.219 0 40 EDAB C[C@H](C(=O)NCC1CCOCC1)n1nc(C(F)(F)F)ccc1=O 1888888053 ANYGBILHTMXAAE-SECBINFHSA-N 333.310 1.366 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccccc1OC(F)(F)F 27825808 IXLIYOWHPLOCDG-UHFFFAOYSA-N 329.234 1.074 0 40 EDAB O=C(Cc1ccccc1Cl)N1CCN(c2cc(O)nc(O)n2)CC1 1775995437 WARLSQMQRXYBDD-UHFFFAOYSA-N 348.790 1.433 0 40 EDAB CC(=O)N[C@H]1CC2(CCN(Cc3cscn3)CC2)OC[C@]1(C)O 2037849760 FXXNNUROPJAQFD-GJZGRUSLSA-N 339.461 1.154 0 40 EDAB COc1ccccc1C(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100073923 STZXXLDBIMRDTB-GUHREWKASA-N 338.363 1.393 0 40 EDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)C(C)(C)C)C[C@@H]4C3)ncnc21 2086939603 VRMHLJJOMTWGBH-STQMWFEESA-N 342.447 1.787 0 40 EDAB COc1ccccc1OCC(=O)NCc1n[nH]c(=O)c2ccccc12 5313277 KEZYYWQOLLGXQZ-UHFFFAOYSA-N 339.351 1.627 0 40 EDAB NC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1ccccn1 10254210 VUCHJWGOLKCSPG-UHFFFAOYSA-N 338.323 1.182 0 40 EDAB CCc1ccc(C(=O)N2C[C@@H]3COC[C@]3(Cc3nc(C)no3)C2)cn1 2055754644 LSWMBHXBFMEGJJ-KDOFPFPSSA-N 342.399 1.667 0 40 EDAB CCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713564 GQMXAFVDHUZZSF-CQSZACIVSA-N 332.448 1.988 0 40 EDAB O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)Nc1ccon1 23127517 BGAHMINTEJOBEP-UHFFFAOYSA-N 348.428 1.703 0 40 EDAB Cc1cc(O[C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)cc(=O)o1 206969259 IDMDDMMQCHECJA-HNNXBMFYSA-N 349.408 1.931 0 40 EDAB COc1cc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)ncn1 2298187947 RTDHWHJJJJBHOP-GFCCVEGCSA-N 340.374 1.959 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)NCCOc1cccc2c1OC(C)(C)C2 40510272 CUWYWFKCHPMPSD-OAHLLOKOSA-N 346.427 1.906 0 40 EDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 540696 ZVBPDJBZBVKMAA-NFFDBFGFSA-N 337.734 1.939 0 40 EDAB CCOCc1ccccc1CNS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 40072323 FZGHQQIMZDFBNO-OKILXGFUSA-N 342.461 1.667 0 40 EDAB CN(C)C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 40459011 OFZIXCLVERMNEN-UHFFFAOYSA-N 329.381 1.949 0 40 EDAB Cc1ccc(-c2nnn([C@@H](C)c3nc(N)nc(N(C)C)n3)n2)cc1 31649172 GTFDVXSOWOONKO-JTQLQIEISA-N 325.380 1.091 0 40 EDAB CN1CCc2c(sc3c2c(NC[C@H]2CCCO2)nc2nnnn23)C1 20518371 LJLFJKUTMJAAII-SECBINFHSA-N 345.432 1.313 0 40 EDAB COc1cc(CN[C@@H]2CCc3nc(C)nn3C2)cc2c1OCCO2 69661258 DESJRHFZQTUPGE-CYBMUJFWSA-N 330.388 1.471 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CN1CSCC1=O)c1cccc(F)c1 29987149 FNPUVDQFHNMKJU-OAHLLOKOSA-N 348.403 1.298 0 40 EDAB Cc1noc([C@@H](NS(=O)(=O)c2c(C)nn(C)c2C)C(C)C)n1 69705736 SXSMWBPXVAUEIX-NSHDSACASA-N 327.410 1.404 0 40 EDAB Cc1nnc2n1CCN(CC(=O)NCCCOC1CCCCC1)C2 69742508 YGHCNLHPQFUPDG-UHFFFAOYSA-N 335.452 1.258 0 40 EDAB Cc1noc(Cl)c1CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 76056859 OQZARRKZWKZGFD-MFKMUULPSA-N 327.812 1.358 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCC2(C1)OCCO2)c1cccs1 76019241 GYBUYWBLMMHCPL-GFCCVEGCSA-N 325.434 1.509 0 40 EDAB O=C(c1cc2ccccc2oc1=O)N1CC[C@](O)(C(F)(F)F)C1 77990513 UZVDYOFHVAMTND-CQSZACIVSA-N 327.258 1.932 0 40 EDAB O=C(NCc1ccnc(N2CCCC2)c1)c1cnc2ccccn2c1=O 32902220 XOSZGKDQPKRVEE-UHFFFAOYSA-N 349.394 1.620 0 40 EDAB CO[C@@H](CNS(=O)(=O)c1cn(C)cn1)c1ccc(Cl)cc1 78904076 WSFJTEBPEBZDNH-LBPRGKRZSA-N 329.809 1.740 0 40 EDAB C[C@@H]1CN(S(=O)(=O)NCCc2ccc(F)cc2F)[C@H](C)CO1 78903959 HGSUSNWCPBMOAG-GHMZBOCLSA-N 334.388 1.451 0 40 EDAB C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 69779020 RAGOJZRZBLPWFR-HEHGZKQESA-N 339.867 1.826 0 40 EDAB C[C@@H](C1CC1)N(C(=O)CN(C)C1CCS(=O)(=O)CC1)C1CC1 79470097 NOBAEPSYRXYHBW-LBPRGKRZSA-N 328.478 1.285 0 40 EDAB CCOC(=O)CCC[C@@H](NC(=O)c1ccc(N)cc1)C(=O)OCC 2572935 BWRFURFXKKFXRR-CQSZACIVSA-N 336.388 1.664 0 40 EDAB CCN(CC)[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)c1ccccc1 32935361 NBYZYEVMULUHEQ-INIZCTEOSA-N 328.416 1.927 0 40 EDAB CN(C(=O)COC(=O)CNC(=O)c1ccccc1F)c1ccccc1 3276479 MLPPYGJHGNFWRG-UHFFFAOYSA-N 344.342 1.762 0 40 EDAB Cc1ccc(C)c(N2N=C(C(=O)NC[C@@H]3CCOC3)CCC2=O)c1 41377949 KTQYUCQPEFHBHU-AWEZNQCLSA-N 329.400 1.939 0 40 EDAB CC(C)N1C[C@@H](C(=O)NCc2ccccc2Cn2cncn2)CC1=O 33107883 ZQYQWXITXNTAFI-INIZCTEOSA-N 341.415 1.200 0 40 EDAB O=S(=O)(C[C@@H](O)C(Cl)(Cl)Cl)NNc1ccccc1 6575449 NIXZPNVWSRNHMX-MRVPVSSYSA-N 333.624 1.664 0 40 EDAB in-vitro CN(CC(=O)Nc1nncs1)Cc1cnn(-c2ccccc2)c1 53139952 LONPBIAEMGAIES-UHFFFAOYSA-N 328.401 1.794 0 40 EDAB CN1CCN(CCCNC(=O)CCOc2cccc(Cl)c2)CC1 41778444 TYSOGVKZZODAKR-UHFFFAOYSA-N 339.867 1.863 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)C2)n1 54674092 KPHWNCNORBFWIG-ZIAGYGMSSA-N 334.420 1.589 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1=O 24183785 VZWUVIGWELFYBR-QMTHXVAHSA-N 347.337 1.508 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCCCCC(=O)O)cc1 9582201 GPGWUUZSPXQGOL-UHFFFAOYSA-N 342.417 1.312 0 40 EDAB C[C@H](CNS(=O)(=O)c1ccc(F)cc1Cl)N1CCOCC1 24682228 XIOUIIQBLLUIPT-SNVBAGLBSA-N 336.816 1.478 0 40 EDAB O=C1C[C@H](C(=O)Nc2ccccc2)n2nc(-c3cccnc3)nc2N1 9926460 FAUATAFSXCVTIO-CYBMUJFWSA-N 334.339 1.862 0 40 EDAB C[C@H]1CN([C@H](C)CNC(=O)c2ccc3c(c2)CCC(=O)N3)C[C@@H](C)O1 106056210 UQCLTNQPNDOICL-MCIONIFRSA-N 345.443 1.799 0 40 EDAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ncccc2O)cc1C 12527442 LQEDQOZQZWBHPY-UHFFFAOYSA-N 349.412 1.711 0 40 EDAB CC(=O)NCC(=O)N1CCC2(CCCN(CC3CCC3)C2=O)CC1 108534619 VPGDJWUHUDDUPK-UHFFFAOYSA-N 335.448 1.154 0 40 EDAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCN1CCN(C(=O)C2CCC2)CC1 106798752 OPUIKXQJGQUTRP-SZMVWBNQSA-N 347.503 1.873 0 40 EDAB COc1ccc(OC)c([C@H](O)CN2CCN(C[C@H](C)O)[C@H](C)C2)c1 106868142 CBWBYUGUAFLURY-JKIFEVAISA-N 338.448 1.124 0 40 EDAB Cc1ccc(NC(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)nc1 57312717 DMMWVZLYFHFIJZ-UHFFFAOYSA-N 343.387 1.377 0 40 EDAB CCn1cc(Br)cc1C(=O)N[C@]1(C(=O)O)CCSC1 43511042 BKGZYSIUQNCXCS-GFCCVEGCSA-N 347.234 1.961 0 40 EDAB COc1cccc(C2(C(=O)N[C@@H]3CCN(C(N)=O)C3)CCCC2)c1 114366207 YZGUEVBUOGLTEC-CQSZACIVSA-N 331.416 1.776 0 40 EDAB NC(=O)C1(CNC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CCOCC1 57011288 SSDQHCATMKBRNI-JKSUJKDBSA-N 346.427 1.553 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)N(C)Cc3cnn(C)c3)CC2=O)c1 44373531 DHPWWTAKKQVVFM-AWEZNQCLSA-N 342.399 1.440 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)Nc1ccc(-n2cncn2)nc1 48132874 WFDCIVZESQFGNC-CQSZACIVSA-N 336.355 1.788 0 40 EDAB Oc1nc(CN2CCC(O)CC2)nc2c1cnn2-c1ccccc1 48274981 DWQHCEWTMDRSFO-UHFFFAOYSA-N 325.372 1.478 0 40 EDAB CCNC(=O)Cn1c(-c2cccc(Br)c2)noc1=O 58210238 SAXKSUKIROKJGM-UHFFFAOYSA-N 326.150 1.402 0 40 EDAB Cn1cncc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 108531839 NMRSWRZHMXFVHL-SJLPKXTDSA-N 332.448 1.966 0 40 EDAB COCCN1CCCC2(CCN(C(=O)c3cnccc3C)CC2)C1=O 108529129 RHQQTAPIMJBZHU-UHFFFAOYSA-N 345.443 1.881 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NCCN2CCCCCC2)c1 44934714 DCUHFXQYYWXAPH-UHFFFAOYSA-N 339.461 1.201 0 40 EDAB Cc1cc(C(=O)NCCN2C(=O)CSC2=O)c2c(C)nn(C)c2n1 44972613 MQLQRQVKVXMKNA-UHFFFAOYSA-N 347.400 1.010 0 40 EDAB CCCn1nc(C(=O)NC[C@H]2COc3ccccc3C2)ccc1=O 28071874 XBDFMNDLKCHLCO-ZDUSSCGKSA-N 327.384 1.634 0 40 EDAB O=C(NCCCC(=O)N1CCCN2CCC[C@@H]2C1)c1ccccc1 58431487 RYUXGQYDHSGVPF-QGZVFWFLSA-N 329.444 1.893 0 40 EDAB O=C(COc1cccc(C(F)(F)F)c1)N[C@@H]1CCS(=O)(=O)C1 10860259 UPNRLZAGDPHGAR-SNVBAGLBSA-N 337.319 1.388 0 40 EDAB COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1 36585117 ITEPKBANCYTOQY-BMIGLBTASA-N 346.362 1.767 0 40 EDAB Cc1c(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)oc2ccccc12 29193254 QCDIRWYOHZIYNN-GFCCVEGCSA-N 336.413 1.895 0 40 EDAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCCC1 12849751 IQMBCASYOSTPIP-GOSISDBHSA-N 327.384 1.608 0 40 EDAB CCCc1n[nH]c(=S)n1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12879709 JEWKBKAUDITPMG-UHFFFAOYSA-N 332.389 1.701 0 40 EDAB CCN(CC)c1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1 3414754 RCZXWWZVHMKSOW-UHFFFAOYSA-N 332.448 1.669 0 40 EDAB CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N1CCCn2ncnc21 69843423 QAWWOCVDEWOWEC-NSHDSACASA-N 337.449 1.353 0 40 EDAB COc1ccc(OC)c(C2=CSC3=NS(=O)(=O)CCN23)c1 13060519 XXALEYKDSLIBAP-UHFFFAOYSA-N 326.399 1.750 0 40 EDAB O=C(c1ccc[nH]c1=O)N1CCN(CCOc2ccccc2)CC1 18121706 FBPWBWLFUHCEQZ-UHFFFAOYSA-N 327.384 1.212 0 40 EDAB CS(=O)(=O)CCOc1cccc(NC(=O)N2CCSCC2)c1 69951466 QNMOVHPEECVXNH-UHFFFAOYSA-N 344.458 1.691 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1ccnc(N(C)C)c1)C2 69971799 LZBPCKPHQDSUEH-UHFFFAOYSA-N 326.404 1.568 0 40 EDAB CCc1ccccc1NC(=O)CCC(=O)N1CCN(C(C)=O)CC1 5279408 VLSGVQJVCBAWBR-UHFFFAOYSA-N 331.416 1.658 0 40 EDAB CC(C)CN1C[C@@H](C(=O)NCCNC(=O)C2CCCCC2)CC1=O 65402282 QTCAUTYWHMMXID-HNNXBMFYSA-N 337.464 1.304 0 40 EDAB Cc1cc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)n(-c2ccccc2)n1 65436819 QCHQVQYREHIYGD-GFCCVEGCSA-N 334.401 1.489 0 40 EDAB CCOC(=O)[C@@H](C)N1CCN(CCN(C)Cc2ccccc2)CC1 65479526 BAOCFVUUDJFYLL-QGZVFWFLSA-N 333.476 1.688 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2nc(C(=O)NCC3CC3)sc2C1 306143742 YLCPRKFKCOEWAV-YUSALJHKSA-N 333.457 1.912 0 40 EDAB COc1ccc(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(C)C(=O)[C@@H]45)[C@H]23)cc1 5387784 QLOGCZCPJCGFFN-RRGRKSGHSA-N 326.352 1.295 0 40 EDAB O=C(CN1CCN(C(=O)Nc2ccc(F)cc2)CC1)N1CCCC1 14112421 FZFHMPSFVACSFO-UHFFFAOYSA-N 334.395 1.598 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N1CCC2(CC1)OCCO2 6916850 TZSDUDICVXXPGK-UHFFFAOYSA-N 347.414 1.062 0 40 EDAB CCn1ccnc1CN1CCC[C@@H](CNC(=O)C2(N)CCCC2)C1 67650705 DZYPZTDUFVHJHG-HNNXBMFYSA-N 333.480 1.503 0 40 EDAB CCOC(=O)NCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 68231999 FYSAAQCMFZIUEM-UHFFFAOYSA-N 334.420 1.513 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 7723194 WYPWTBCBFBOLPN-VXGBXAGGSA-N 326.393 1.315 0 40 EDAB CCOC(=O)C1=C(CSc2nc3ccccc3n2C)NC(=O)NC1 7901348 FASKFZLWPRVPKC-UHFFFAOYSA-N 346.412 1.795 0 40 EDAB CN(C)c1nc(C[S@@](=O)Cc2noc3c2CCCC3)ns1 96004382 WIUONXNIEOLBKT-OAQYLSRUSA-N 326.447 1.920 0 40 EDAB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1C[C@H]1c1cnn(C)c1 69160774 VDCOMRYWLFJZRM-GJZGRUSLSA-N 325.368 1.900 0 40 EDAB CN(C)C(=O)N1CCN(Cc2noc(Cc3ccccc3)n2)CC1 69220187 VIGLXKWCWFGDPO-UHFFFAOYSA-N 329.404 1.460 0 40 EDAB O=C(c1cc[nH]n1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 69418885 SBAAPPPYKIKYRP-UHFFFAOYSA-N 336.754 1.800 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(F)cc1F 9320335 ASQKXGBENWNIAF-UHFFFAOYSA-N 331.278 1.607 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)cc2F)CC1 69580660 REUKBYWZKLMFPI-UHFFFAOYSA-N 329.397 1.633 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)COc1cccc(C(N)=O)c1 69518239 MRNYGMKQZKFJGJ-HOTGVXAUSA-N 331.416 1.250 0 40 EDAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)c(=O)[nH]1 69535206 FLMPRJJBVZJSLP-INIZCTEOSA-N 339.395 1.303 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C[C@H](O)c3cccc(F)c3)C2)n[nH]1 84372031 NQDZDWUEKNEISX-LRDDRELGSA-N 332.379 1.561 0 40 EDAB NS(=O)(=O)c1cccnc1NC[C@H]1CCN(CC(F)(F)F)C1 96462047 UPUMEZHOKXRCQN-SECBINFHSA-N 338.355 1.025 0 40 EDAB Cc1ccc(C)c(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)c1 71823532 VZORWRLCEWIMAJ-UHFFFAOYSA-N 345.399 1.225 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OC[C@H]2CCCO2)C1=O 71881729 VVCQCKJRESIUBQ-RDTXWAMCSA-N 346.383 1.566 0 40 EDAB O=C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CCN1 71841161 VOHRYWWLJIITBI-UHFFFAOYSA-N 340.309 1.003 0 40 EDAB CN(Cc1ccc(C(F)(F)F)cc1)C[C@H](O)CN1C(=O)CCC1=O 71898284 QUEAAXYOEHTCAK-ZDUSSCGKSA-N 344.333 1.647 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCC[C@H](n3ccnc3C)C2)cn1 71870640 FIILDEMGTDTOQD-AWEZNQCLSA-N 327.388 1.423 0 40 EDAB Cc1cccn2cc(CC(=O)N[C@@H]3CCN(c4ccn(C)n4)C3)nc12 95398264 HKOBKHSZJASDHY-CQSZACIVSA-N 338.415 1.314 0 40 EDAB CCONC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9724888 HQFXPFBUQBTQAR-UHFFFAOYSA-N 346.836 1.808 0 40 EDAB C[C@H](NCC1(c2cccc(Br)c2)CCOCC1)C(N)=O 97085751 DXRMRHZHIOVAPB-NSHDSACASA-N 341.249 1.961 0 40 EDAB O=C(c1ccc(N2CCCC2)nn1)N1CCC[C@@H](c2ccn[nH]2)C1 72232611 OIQJRNWSZPIIAD-CYBMUJFWSA-N 326.404 1.820 0 40 EDAB C[C@@H](C(=O)NCCc1ccccc1)N1CCn2c(nnc2C2CC2)C1 72268826 RHTJISHOLNOTIZ-AWEZNQCLSA-N 339.443 1.719 0 40 EDAB CN(C)CCNC(=O)Cn1ccc(NC(=O)CCc2cccs2)n1 72291526 NPCQQKHIBHBMSH-UHFFFAOYSA-N 349.460 1.194 0 40 EDAB O=S(=O)(NCCN1CCC[C@@H](c2ccn[nH]2)C1)c1ccccc1 72272990 PRBIHZZUUGNZLC-CQSZACIVSA-N 334.445 1.568 0 40 EDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCCC2)C1CC1 72287734 GRBDDGRHPMDNJS-KRWDZBQOSA-N 329.444 1.960 0 40 EDAB CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc2c1OCO2 84736375 DTHZCZBPETTZEW-JSGCOSHPSA-N 340.445 1.565 0 40 EDAB CCCN(C(=O)NCc1nnc2n1CCC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 95400329 FDPPDUDURQHZGZ-MAZHCROVSA-N 347.463 1.959 0 40 EDAB CS[C@H](CO)[C@@H](C)NC(=O)CCCc1nc(C(C)(C)C)no1 95426674 PHTZFQREGWZMCD-GHMZBOCLSA-N 329.466 1.918 0 40 EDAB CCn1cc(Br)cc1C(=O)N1CCOC[C@H]1C(=O)O 88374041 AWRMQPQPCDADFW-JTQLQIEISA-N 331.166 1.196 0 40 EDAB COc1cc(C(=O)N[C@H](C)CCN2CCOCC2)cc(OC)c1C 74105483 FDVYVWYBAPSXPV-CYBMUJFWSA-N 336.432 1.853 0 40 EDAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1CC(N)=O 95999903 AMSLVRKXKVMELH-HNNXBMFYSA-N 332.379 1.487 0 40 EDAB CC(C)(C)n1ncc2c(=O)[nH]c(N3CC[S@](=O)C(C)(C)C3)nc21 88756817 UABVOPLFSNXRQM-HSZRJFAPSA-N 337.449 1.222 0 40 EDAB Cc1c(I)cccc1C(=O)Nc1nnn[nH]1 89540372 RJZXAVXOSQJZQM-UHFFFAOYSA-N 329.101 1.365 0 40 EDAB CC(C)(NS(C)(=O)=O)C(=O)NCCc1ccc(F)cc1Cl 89620988 LPQHHCSDWKIERR-UHFFFAOYSA-N 336.816 1.466 0 40 EDAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)C1(O)CCCCC1 86566597 MZYUWDYXECMEBO-UHFFFAOYSA-N 345.848 1.925 0 40 EDAB O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1Cc1nc(C2CC2)no1 89858177 KKRBAOIIEQHZQG-SFHVURJKSA-N 338.367 1.927 0 40 EDAB CC(C)CN1CC[C@H](CNC(=O)NCC(=O)Nc2ccccc2)C1 89840160 LEWZQTRDEHNEIM-OAHLLOKOSA-N 332.448 1.902 0 40 EDAB CN1C(=O)[C@H](NC(=O)[C@@H]2Cc3c(O)cccc3N2)Cc2ccccc21 1548568095 DRGLWIBRUNAMDR-LSDHHAIUSA-N 337.379 1.433 0 40 EDAB CC(=O)c1c[nH]c(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 23481536 YAYYCDPHOXECKW-VIFPVBQESA-N 335.385 1.356 0 40 EDAB COC(=O)c1c(I)cnn1CC(F)(F)F 408715424 BGHIKUFORGFICC-UHFFFAOYSA-N 334.035 1.837 0 40 EDAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(N)=O)cc1 408710082 OABGZXFNWXIDJP-UHFFFAOYSA-N 325.368 1.603 0 40 EDAB CC[C@H](C(N)=O)N1CCC(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)CC1 1004070101 FQEPAKWPIOEFSV-HZPDHXFCSA-N 349.862 1.824 0 40 EDAB CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@H](C)C(=O)O)cc2)CC1 515176211 CWUQATFBBHDSLK-ZDUSSCGKSA-N 347.415 1.052 0 40 EDAB COCc1nnc(NC(=O)CSc2ncnc3[nH]cnc23)s1 524735778 YIGDHYDVIDHUIB-UHFFFAOYSA-N 337.390 1.082 0 40 EDAB O=C(NC1CCCC1)C1CCN(c2nnnn2-c2ccccc2)CC1 35312036 YIEWDORUMONRNJ-UHFFFAOYSA-N 340.431 1.938 0 40 EDAB CN(Cc1ccco1)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1F 72241537 CRVVTKKLLUFUSN-IAGOWNOFSA-N 346.358 1.976 0 40 EDAB Cc1ccc(CCN2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 72776703 FUVUJYCUQBCPLZ-UHFFFAOYSA-N 349.456 1.673 0 40 EDAB CS(=O)(=O)N1CCN(Cc2ccc(C(=O)O)c(Cl)c2)CC1 565106002 VLVPLTLQOZRIRJ-UHFFFAOYSA-N 332.809 1.115 0 40 EDAB COc1cccc([C@@H]2CCCN2C(=O)COCc2nncn2C)c1 560999007 XGCPYXPOXDMVIF-HNNXBMFYSA-N 330.388 1.704 0 40 EDAB CCSc1nc2ncc3c(=O)n(NC(=O)C(C)C)c(C)cc3n2n1 38784058 OUWZRMNKVKLJOM-UHFFFAOYSA-N 346.416 1.586 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@H](c3cncc(C)n3)C2)c1C 72369430 QOKNMSANSYSOAI-AWEZNQCLSA-N 349.460 1.878 0 40 EDAB CCOc1cccc(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)O)c1 562982440 YMIRGTUDPHWZPD-ZDUSSCGKSA-N 343.401 1.338 0 40 EDAB CC(C)(NCCN1C(=O)CNC1=O)c1ccccc1Br 181512456 NOXIFAOKYCGYRU-UHFFFAOYSA-N 340.221 1.826 0 40 EDAB COc1cc(CN2CC[C@@H](NC(=O)c3n[nH]nc3C)C2)cc(OC)c1 189254303 TZPSZZLJROWHPB-CYBMUJFWSA-N 345.403 1.135 0 40 EDAB O=C(CS(=O)(=O)NC[C@@H]1CCCO1)NCCC1=CCCCC1 78493778 TXYZYHGNSURMIY-AWEZNQCLSA-N 330.450 1.092 0 40 EDAB Cn1ccnc1N1CCN(C(=O)c2nc3ccccc3s2)CC1 49342720 DTTJDDRUTNRFTL-UHFFFAOYSA-N 327.413 1.992 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)c2ccc3ccccc3n2)CC1 40490257 YPASYCVIVYETIF-UHFFFAOYSA-N 347.440 1.779 0 40 EDAB O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC(O)(C(F)(F)F)CC1 89947288 NVTGYQPOPSOVIF-NSHDSACASA-N 348.365 1.693 0 40 EDAB O=C(c1cccs1)N1CCN(C(=O)c2cnn3ccccc23)CC1 75170979 YRBIYIOYGRNQRJ-UHFFFAOYSA-N 340.408 1.994 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@H](Oc2cnccn2)C1 225470926 PYZABXCQZATBGS-XJKSGUPXSA-N 341.367 1.686 0 40 EDAB Cc1cccc(OC[C@H]2C[C@@H](NCc3ccc(F)cc3)[C@H](O)[C@@H]2O)n1 225502169 YWQRSNLWWQANMT-OPNNQBFTSA-N 346.402 1.808 0 40 EDAB biogenic,in-vitro Cn1cc(CN2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)cn1 195558355 SXGUBYZQUGCMOT-HNNXBMFYSA-N 325.372 1.073 0 40 EDAB O=C(N1CCC2(CCN(Cc3ccccc3)CC2)C1)[C@@]1(O)CCOC1 583071509 ZGPOERTYNCGSMN-HXUWFJFHSA-N 344.455 1.653 0 40 EDAB CCc1cnc(N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 96239287 XTKJGTYPGMTZAQ-KRWDZBQOSA-N 326.404 1.406 0 40 EDAB Cc1csc(CN2CC[C@@]3(C[C@H](NC(=O)N(C)C)CCO3)C2)n1 96208516 FRVFSOMYBVJUNG-CZUORRHYSA-N 338.477 1.846 0 40 EDAB O=C(O)[C@@H](NS(=O)(=O)C[C@H]1CCOC1)c1ccc(Cl)cc1 578577528 QIGUXEAXDONAQU-CABZTGNLSA-N 333.793 1.422 0 40 EDAB COC(OC)C(=O)N1CCN(C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 585131295 RACXMPJFAFOCLT-KGLIPLIRSA-N 340.464 1.739 0 40 EDAB Cc1nc2ncccc2c(=O)n1CCNC(=O)CCc1ccccc1 95477165 ZOAFUSSPEFTEAM-UHFFFAOYSA-N 336.395 1.849 0 40 EDAB biogenic C[C@@H]1CN(C(=O)COCc2nc(-c3cccnc3)no2)C[C@@H](C)O1 96182097 HVJGWGLQAYFRJJ-VXGBXAGGSA-N 332.360 1.284 0 40 EDAB Cc1noc(C)c1CN1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 96040785 VCSWAVLOLUBEGP-OIISXLGYSA-N 349.431 1.540 0 40 EDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1cc(C)on1 96045362 WHZHYDBMBZMGNH-AWEZNQCLSA-N 331.376 1.371 0 40 EDAB COc1cc(-c2nc(CC(N)=O)nn2-c2ccccc2F)ccn1 96152540 XCQILCICAYZDRF-UHFFFAOYSA-N 327.319 1.505 0 40 EDAB COCCOC1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)C1 330198526 UEPQHNOLBIFQPT-UHFFFAOYSA-N 342.442 1.641 0 40 EDAB O=C(c1ccncc1)N1CCO[C@]2(CCCN(c3nncs3)C2)C1 96226630 XEYRTSZLQIHIGZ-MRXNPFEDSA-N 345.428 1.445 0 40 EDAB O=C1C[C@]2(CCCCN2C(=O)[C@@H]2CCCO2)CN1Cc1ccncc1 96071748 ZEVUSUCPOFYDCN-QFBILLFUSA-N 343.427 1.744 0 40 EDAB COc1cc(N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)ncn1 96065452 ULKNETXGGSMSKE-IGCXYCKISA-N 328.372 1.695 0 40 EDAB c1c2c(nn1CC1CCOCC1)[C@H](CNCC1CCOCC1)OCC2 96044428 NNWQABVICBZTKX-SFHVURJKSA-N 349.475 1.940 0 40 EDAB O=C(c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1ccno1)CC[C@H]2F 96078730 NKYFDRCTMQFQNN-PBHICJAKSA-N 347.346 1.984 0 40 EDAB O=C(CCc1ccccc1)NCc1ccnc(N2CCOCC2)n1 96121115 PZLLNUMWMFUFMQ-UHFFFAOYSA-N 326.400 1.562 0 40 EDAB COc1ccc2nc(N3CCN([C@H](C)C(N)=O)CC3)c(C)cc2c1 91622288 IDSFYUHUILNOJW-CYBMUJFWSA-N 328.416 1.548 0 40 EDAB Cn1cc(N2CC[C@]3(CCN(C(=O)c4ccncc4)C3)C2=O)cn1 96050539 VSTFZSDDCZYION-KRWDZBQOSA-N 325.372 1.084 0 40 EDAB COc1ccc([C@H](C)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1F 90797566 QHXFYQGIPNMMHU-NWDGAFQWSA-N 330.425 1.766 0 40 EDAB CNC(=O)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O 96403284 ZTGXDPNVPADSRP-CQSZACIVSA-N 339.189 1.212 0 40 EDAB O=C(CCN1C(=O)CCC1=O)N[C@@H](c1ccc(F)cc1)c1ncc[nH]1 585124062 CTJUVGLYHYFXPM-INIZCTEOSA-N 344.346 1.294 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2nccc(N)n2)cc1C 585137598 IPRYGXJDBKJYOY-LLVKDONJSA-N 336.417 1.805 0 40 EDAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1cccs1 96062112 RCIAMQVBOUKKJN-LLVKDONJSA-N 328.401 1.801 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)NCC2(c3cccc(F)c3)CC2)C1 96417757 JTAFPPQBYAWHJI-MRXNPFEDSA-N 334.439 1.402 0 40 EDAB O=C([C@H]1CCOC1)N1CCOC[C@@H]1c1nc(-c2ccccc2)no1 240756981 HVTHEISQYNDNLK-UONOGXRCSA-N 329.356 1.673 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc3oc(C)cc3c2)C[C@@H](C(N)=O)C1 257325758 WUHAXZQUNWAVRQ-HNNXBMFYSA-N 343.383 1.147 0 40 EDAB Cc1nc2ccccn2c1CC(=O)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257332303 XWRUJZNMXBJTBP-SPYBWZPUSA-N 342.443 1.289 0 40 EDAB Cc1ccnc([C@@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1 257276290 NTCQZOSUYRPOFC-ZDUSSCGKSA-N 345.403 1.824 0 40 EDAB Cc1ncccc1C(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257217335 CYNDDBOEHIXPSK-OAHLLOKOSA-N 326.400 1.841 0 40 EDAB O=C(Cn1cc(Cl)cn1)NCc1ccnc([C@H]2CCCOC2)n1 257332203 XWFNJFTZTMWPRW-NSHDSACASA-N 335.795 1.537 0 40 EDAB COc1ccc(CC(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)cc1 257267366 MGZKCEGWELTELC-JFIYKMOQSA-N 329.400 1.705 0 40 EDAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 253489674 FZPDGWWZFHTUKH-MCIONIFRSA-N 337.445 1.738 0 40 EDAB O=C(CCCn1ccnc1)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257280608 OLOFNNNMYYXBRA-IRXDYDNUSA-N 344.415 1.489 0 40 EDAB CCc1nccn1CCC(=O)N1CCOC[C@@H](Cc2ccncn2)C1 257262751 LMRUYXAVLSVVGY-HNNXBMFYSA-N 343.431 1.343 0 40 EDAB CCc1nnsc1C(=O)N(C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257302357 SCPCRKKLEGPYRH-MGPQQGTHSA-N 348.428 1.538 0 40 EDAB COc1ccc([C@H]2CNCCN2C(=O)c2cc(C)nc(O)n2)cc1 257253334 JYLPEYPGUNQQBC-OAHLLOKOSA-N 328.372 1.286 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCOC[C@H](Cc2ccncn2)C1 257276992 NWAAMJNRSANFCS-CQSZACIVSA-N 330.388 1.342 0 40 EDAB C[C@]1(C(=O)Nc2ccc(-n3ccc(O)n3)c(F)c2)CCNC(=O)C1 1615545672 CNXRNKWTSOZCDY-INIZCTEOSA-N 332.335 1.572 0 40 EDAB N[C@@H]1C[C@@H]2C[C@H](C(=O)N3CCn4ncc(Br)c4C3)C[C@H]21 1615552524 DRUWCPZETQZQAY-UXCLJVHYSA-N 339.237 1.361 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)c2cc[nH]n2)[C@H]1Cc1ccccc1 585273841 FFUOJWPBIKMCBI-RDJZCZTQSA-N 326.400 1.762 0 40 EDAB O=C(O)CN1CC[C@H](n2cnc3c(oc4ccccc43)c2=O)C1=O 663218531 ACGLHJOYKSPYAK-JTQLQIEISA-N 327.296 1.001 0 40 EDAB C[C@H]1c2nc(CC(=O)N3CCCC3)cn2CCN1C(=O)[C@@H]1C[C@H]1C 585097455 KEFCFGBSRRAWFR-VNHYZAJKSA-N 330.432 1.607 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 49031434 OFYTYXOSLKKOJW-OAHLLOKOSA-N 349.456 1.773 0 40 EDAB CCn1cc(S(=O)(=O)N2CCC[C@@H](c3cnn(C)c3)C2)nc1C 681288793 IVLRZBMXPMNOTO-CYBMUJFWSA-N 337.449 1.513 0 40 EDAB O=C1CN(CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)CCN1 57748205 JPMRUHODMJIKOK-QGZVFWFLSA-N 347.415 1.525 0 40 EDAB Cc1cc(C)c(Br)c(C(=O)N[C@H]2CCN(C(N)=O)C2)c1 97378185 VUZLFQBTEPOOQZ-JTQLQIEISA-N 340.221 1.949 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)O)c(Cl)c1 547873359 WTBAHJXCZATKDY-CMPLNLGQSA-N 347.820 1.807 0 40 EDAB CCOc1ncc(NS(=O)(=O)c2c(C)nn(CC)c2C)cn1 585434108 SIFVDTAHESMKIC-UHFFFAOYSA-N 325.394 1.509 0 40 EDAB COc1cc([C@@H](C)NC(=O)c2cnsn2)ccc1S(C)(=O)=O 1615615740 SDFXOCWXOULXLO-MRVPVSSYSA-N 341.414 1.441 0 40 EDAB COC(=O)[C@H]1C[C@@H](Sc2ncnn2C)CN1C(=O)OC(C)(C)C 1616036179 HWXKXRCSZPFWRJ-NXEZZACHSA-N 342.421 1.458 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(C)n(C)n2)[C@H](CO)[C@@H]1CN(CC)CC 1772594938 IJZKRLLAZUDIFB-BFYDXBDKSA-N 336.480 1.529 0 40 EDAB CCn1ccnc1N1CCN(C(=O)c2cccc(OC)c2OC)CC1 11695630 UVHYANIPYATDHH-UHFFFAOYSA-N 344.415 1.883 0 40 EDAB CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCCCCC3)nc12 12117676 IMSFPSYDRMXVPN-UHFFFAOYSA-N 341.415 1.873 0 40 EDAB CCc1c(C)sc2nc(C(C)C)n3c(=O)n(CC(N)=O)nc3c12 12182073 UYPFZCDGNAUNSA-UHFFFAOYSA-N 333.417 1.585 0 40 EDAB Cc1nc(O)c2nnn(C[C@H]3CCCN3C(=O)c3cccs3)c2n1 12337178 HDMSEUINTZXQMT-SNVBAGLBSA-N 344.400 1.602 0 40 EDAB O=C1NC(=O)[C@H]2[C@H]1[C@H](c1ccccc1F)NN2Cc1ccccc1 19169227 FIYHYPXIGUPSJU-OWCLPIDISA-N 325.343 1.528 0 40 EDAB COc1ccc(OCC2CCN(C(=O)CCn3cnnn3)CC2)cc1 19556829 MOTJLBMBJXPXDE-UHFFFAOYSA-N 345.403 1.389 0 40 EDAB Cc1nc([C@H]2CCN(C(=O)COc3ccccc3)C2)ncc1C(N)=O 19758299 KKGDNOGZWVZJEC-ZDUSSCGKSA-N 340.383 1.279 0 40 EDAB O=C([C@H]1CN(c2cc(C3CCC3)ncn2)CCO1)N1CCCCC1 1888834744 PUVSDCGGZXLEFO-MRXNPFEDSA-N 330.432 1.962 0 40 EDAB CCN=c1nc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc(C)[nH]1 1888864039 YCAGHUDFJBCYEU-UHFFFAOYSA-N 339.447 1.633 0 40 EDAB Cc1cccc(CS(=O)(=O)N2CCN(c3ccccn3)C(=O)C2)c1 1259748133 YJGRFIACAMADCL-UHFFFAOYSA-N 345.424 1.569 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1cccn1C)N(C)C 38674812 BCXACZCJKAOQEZ-CYBMUJFWSA-N 326.422 1.211 0 40 EDAB CN(C(=O)COc1cccnc1)[C@H]1CCCN(c2ccccn2)C1 2037684449 JKKGJPYWNOVCKL-HNNXBMFYSA-N 326.400 1.983 0 40 EDAB O=C(CC1(O)CCC1)N1Cc2[nH]nc(COc3cccnc3)c2C1 2056214991 YUHHMIXFLCZUJZ-UHFFFAOYSA-N 328.372 1.531 0 40 EDAB Cc1nc(CN2CCO[C@H]3CN(Cc4cn(C)nc4C)C[C@@H]32)cs1 2056224376 HUUFRXGSWUOQHS-IRXDYDNUSA-N 347.488 1.579 0 40 EDAB CC(C)[C@H](Cn1nccn1)NC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 253471537 DEXRQGGPNIRPIW-OCCSQVGLSA-N 346.387 1.615 0 40 EDAB CN1c2ccccc2N(CCNC(=O)C2CCCCC2)S1(=O)=O 253470982 AJGDDEVBRKTDIU-UHFFFAOYSA-N 337.445 1.884 0 40 EDAB COC(=O)c1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 211319 LXSMBELDPBEZLR-UHFFFAOYSA-N 331.353 1.388 0 40 EDAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)N1CCCC1 4327956 YUBCQFRCQAIOSH-UHFFFAOYSA-N 340.412 1.901 0 40 EDAB CCOC(=O)Cc1ccc(N2C(=O)C[C@@H](N3CCCCC3)C2=O)cc1 4698011 FHNNEVDMADQLDS-MRXNPFEDSA-N 344.411 1.910 0 40 EDAB O=C(NCc1n[nH]c(=O)c2ccccc12)c1cc(=O)c2ccccc2o1 5313518 PGRRATJNLUVUMY-UHFFFAOYSA-N 347.330 1.960 0 40 EDAB O=C([C@H]1CCOC1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 2055754813 XQCWHROCITZTJA-ORQFMDKSSA-N 332.400 1.393 0 40 EDAB CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cccc(F)c21 100893862 LHSQHULAISVFMB-ICFOKQHNSA-N 335.360 1.438 0 40 EDAB COc1cccc(-c2cc(C(=O)NCCn3ncccc3=O)[nH]n2)c1 38510249 FEURGRVCUFNTFC-UHFFFAOYSA-N 339.355 1.072 0 40 EDAB Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1cccs1 575612746 LYDUXRRHZTUDST-UHFFFAOYSA-N 330.417 1.787 0 40 EDAB Cc1nccc(O[C@@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)n1 585147079 DBDKCAGLTFRZQE-CQSZACIVSA-N 337.383 1.815 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@](C)(O)Cc2ccco2)cc1C 206618536 PENZJQXXGKQPIR-MRXNPFEDSA-N 339.413 1.869 0 40 EDAB COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCC(C(N)=O)CC2)c1 23991805 VWXPARZWJZUEFD-LLVKDONJSA-N 335.404 1.228 0 40 EDAB Cc1ccc(-n2c(=O)[nH]c(O)c([C@H]3NCCc4ccccc43)c2=O)cc1 20171574 FJEQKVXTEALKLS-KRWDZBQOSA-N 349.390 1.775 0 40 EDAB Cc1ccc([C@H](C)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 40498526 NVSATSOVWFQCRV-ZDUSSCGKSA-N 345.424 1.670 0 40 EDAB O[C@@H](CN1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCO2 40555438 XQQVWMLKTIAZBH-AWEZNQCLSA-N 328.372 1.061 0 40 EDAB CNC(=O)c1cccc(CNS(=O)(=O)c2ccc3c(c2)CCO3)c1 40501738 VAYMNNCGAIWEOD-UHFFFAOYSA-N 346.408 1.460 0 40 EDAB NC(=O)COc1ccc(CNC(=O)CN2CCc3ccccc32)cc1 51183454 CYXOHEGTLATNLV-UHFFFAOYSA-N 339.395 1.230 0 40 EDAB O=C(CCNC(=O)c1cccs1)Nc1ccc(-n2cnnn2)cc1 20681684 VSPWFDDKENYUPR-UHFFFAOYSA-N 342.384 1.482 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1nc(COc2ccc3c(c2)OCO3)no1 20739793 OAFRFWSPKDZSEZ-NSHDSACASA-N 347.327 1.286 0 40 EDAB Cc1cccc(-n2nnnc2SCC(=O)NC(=O)NCC(C)C)c1 21250661 XIUUKRRIGVURQT-UHFFFAOYSA-N 348.432 1.545 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 261104 PIDIMIVLSCDEIN-UHFFFAOYSA-N 326.399 1.443 0 40 EDAB CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 1003768 ZEZTZRDRZAHMQV-UHFFFAOYSA-N 341.458 1.694 0 40 EDAB Cc1ccccc1OCCNC(=O)NC[C@H](c1cnn(C)c1)N(C)C 76017072 DCGLDVBLVQTQHE-MRXNPFEDSA-N 345.447 1.709 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1noc(C2CC2)n1 76044595 HCJJDOHKEQEOAS-JQWIXIFHSA-N 339.417 1.435 0 40 EDAB C[C@@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)N1CCCC1 32950708 ILVFTEADWPDHTL-LLVKDONJSA-N 340.401 1.226 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)CCO2)n1 78888663 CMYPWMSLNSVPGA-TZMCWYRMSA-N 341.371 1.139 0 40 EDAB COc1ccc([C@H](CNC(=O)c2ccc[nH]2)N2CCOCC2)cc1 78958394 AOGIKCNVFSLQIS-KRWDZBQOSA-N 329.400 1.827 0 40 EDAB Cc1nc(C)c(CNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2)s1 78942179 YMLRLSCFVOYDBF-LBPRGKRZSA-N 334.449 1.572 0 40 EDAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NC1CC1 2639680 SKBAVGHHGFECAD-UHFFFAOYSA-N 328.324 1.967 0 40 EDAB NC(=O)CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccn1 102819165 NBAIQXHYIDGTBY-CMDGGOBGSA-N 338.367 1.339 0 40 EDAB Cc1cccn2c(=O)nc(SCC(=O)NCc3ccco3)nc12 4504074 OJAUMSIUTCKEQP-UHFFFAOYSA-N 330.369 1.399 0 40 EDAB Cn1c(=O)c2ncn(C(=O)Nc3ccc(Cl)cc3)c2n(C)c1=O 6827896 OOVMHBUEEGRQAT-UHFFFAOYSA-N 333.735 1.167 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCCN2CC(=O)Nc2nncs2)n1 69841517 BJMZEDJXRYILRE-LBPRGKRZSA-N 335.437 1.240 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)Cn1cc(Br)ccc1=O 42369449 SDKCRAHNPHOEKG-SNVBAGLBSA-N 339.193 1.012 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O 42533947 HYVNAOBGUYQUQN-UKRRQHHQSA-N 326.400 1.979 0 40 EDAB CC(=O)N1CCCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1 43107970 YSBXMXJWJYSFMB-UHFFFAOYSA-N 348.428 1.812 0 40 EDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(F)c2)c1 102014989 JVJGDQUWIYUOTE-YHUYYLMFSA-N 341.342 1.737 0 40 EDAB C[C@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)NC1CC1 25115157 SHHJIBLUMBLDCX-LBPRGKRZSA-N 330.384 1.566 0 40 EDAB Cc1ccc(CNC(=O)CN2CCN(C[C@@H](C)O)[C@@H](C)C2)s1 106868155 KOFKRHOFQNPBTA-QWHCGFSZSA-N 325.478 1.060 0 40 EDAB O=C1CC[C@@H](C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)CN1 55721523 PEJFDKJDNZMRCF-CYBMUJFWSA-N 338.411 1.503 0 40 EDAB C[C@@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)C[C@@H]1N1CCOCC1 107057298 MOBVLEWPNVZRPM-MNEFBYGVSA-N 344.455 1.870 0 40 EDAB CCN1CCN(C(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)CC1 57099779 KVTWHCXWHIXYPJ-UHFFFAOYSA-N 347.415 1.971 0 40 EDAB CC(C)(NC(=O)c1cc(-c2ccccc2)n(-c2ccccn2)n1)C(N)=O 57258188 BAFCQVAQUZBCDM-UHFFFAOYSA-N 349.394 1.928 0 40 EDAB Cc1noc2ncc(S(=O)(=O)N3CCCC[C@H]3[C@H](C)O)cc12 108137152 IOTITMWBDJMWMB-GWCFXTLKSA-N 325.390 1.455 0 40 EDAB CC[C@@H](C)n1ncc2c(C(=O)N3CCS(=O)CC3)cc(C)nc21 108274537 RZDANPZMGZAZLA-GFCCVEGCSA-N 334.445 1.915 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCc1cccc(F)c1 108456114 XSVFNAWDVNSUMS-YXAMBPQSSA-N 328.343 1.249 0 40 EDAB NC(=O)CN(Cc1ccc(-n2cncn2)c(F)c1)Cc1cccs1 48278914 XAPUXNYQGOVLKW-UHFFFAOYSA-N 345.403 1.955 0 40 EDAB CN(C)S(=O)(=O)c1cccc(Cn2c(CO)nc3ccccc32)c1 44865973 OQTMZVPQCRJFIF-UHFFFAOYSA-N 345.424 1.827 0 40 EDAB CCCNC(=O)CSc1nnnn1-c1cc(OC)ccc1OC 58293281 DRKQASZLIQRCTQ-UHFFFAOYSA-N 337.405 1.298 0 40 EDAB NC(=O)c1ccc(OCC(=O)NC[C@@H](O)c2cccc(F)c2)cc1 58282993 MQGQBZHELZHAPT-OAHLLOKOSA-N 332.331 1.153 0 40 EDAB C[C@H]1CCCCN1C(=O)c1cc(OCC(=O)N2CCCC2)n(C)n1 57355316 ZLFHNSSAXSXXCR-ZDUSSCGKSA-N 334.420 1.436 0 40 EDAB C[C@H](OCCCNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 44946009 AYDODJSVURWZOS-ZFWWWQNUSA-N 340.445 1.641 0 40 EDAB CN(C)c1ccc(CNC(=O)CCS(=O)(=O)C2CCCC2)cn1 44951831 CIROFUQQUYOPGF-UHFFFAOYSA-N 339.461 1.511 0 40 EDAB CC(=O)N1CCC(NC(=O)NC[C@@H]2COc3ccccc3O2)CC1 44934029 PSYHCJZNNYVSSZ-CQSZACIVSA-N 333.388 1.137 0 40 EDAB Cc1nn(C)c(C)c1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 58357272 RDKVNPDVQTWXTO-UHFFFAOYSA-N 347.463 1.837 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCN2CCCS2(=O)=O)o1 58431608 JFUGCBQSRLMPIP-FAQJLRJSSA-N 338.429 1.568 0 40 EDAB O=C1NC(=O)[C@H](CCC(=O)N2CCC[C@H]2Cc2cccc(F)c2)N1 58462393 KJPODRWJORCEMZ-KBPBESRZSA-N 333.363 1.347 0 40 EDAB COc1ccccc1[C@@H]1NC(=O)N[C@](O)(C(F)(F)F)[C@@H]1C(C)=O 26503438 XWZFVHJXXQUTLY-NTZNESFSSA-N 332.278 1.505 0 40 EDAB COC(=O)CC[C@H]1NC(=S)N(CCc2ccc(OC)cc2)C1=O 12769698 JLQLMKCPSAEDJJ-CYBMUJFWSA-N 336.413 1.276 0 40 EDAB CC(C)CC(=O)N1CCC2(CC1)C[C@H](CNC(=O)c1nccn1C)O2 306123196 AHAWACUPSQSYLC-CQSZACIVSA-N 348.447 1.346 0 40 EDAB CN1CCN(c2ccc(CNC(=O)NCc3ccccn3)cn2)CC1 48343954 PGRIPTMHCOWWKQ-UHFFFAOYSA-N 340.431 1.228 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCN(Cc3nnnn3C3CC3)CC2)c1 28976064 OXWVGKDZMXTXHQ-UHFFFAOYSA-N 340.431 1.583 0 40 EDAB Cc1ccc(N(C)C2CCN(C(=O)[C@@H](C)n3cncn3)CC2)nn1 69923333 GYTYDQQFZFQMQJ-CYBMUJFWSA-N 329.408 1.065 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1 69918055 ZYFOHKSVFHSYIL-RBUKOAKNSA-N 339.439 1.564 0 40 EDAB CN(C)S(=O)(=O)c1cccc(COc2ccccc2C(N)=O)c1 8772019 VXFVRWKJJBADFC-UHFFFAOYSA-N 334.397 1.615 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc2oc(=O)ccc2c1 13629330 NCEOAAFSJDJYAA-UHFFFAOYSA-N 348.318 1.537 0 40 EDAB FC(F)CN1CCN(Cc2ccccc2N2CCOCC2)CC1 92586737 LKBBZTFTURHGND-UHFFFAOYSA-N 325.403 1.906 0 40 EDAB C[C@H](Cc1cccc(Cl)c1)NC(=O)Nc1cnn(CC(N)=O)c1 65422919 QUCZWYBKQFFKCD-SNVBAGLBSA-N 335.795 1.775 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1CC(=O)N1CCc2ccccc21 6836820 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CN(CC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1 16555841 NYOPSKKAEPZESS-UHFFFAOYSA-N 326.356 1.264 0 40 EDAB Cn1c(SCc2cn(-c3ccc(F)c(Cl)c3)nn2)n[nH]c1=O 96008397 MWBYQFJAKAKBFD-UHFFFAOYSA-N 340.771 1.774 0 40 EDAB COc1cccc(CNCCNS(=O)(=O)Cc2ccccc2)c1 8167452 XQENZHBZEBWUSR-UHFFFAOYSA-N 334.441 1.904 0 40 EDAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(=O)O)C2=O)cc1 16713255 CJJLWALAJASRGR-GHXNOFRVSA-N 348.380 1.486 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@H](n2ccnc2)C1 70016731 KQIZOEGGNQZWPV-AWEZNQCLSA-N 330.388 1.781 0 40 EDAB C[C@H](O)CN1CCC(CNCc2ccccc2-n2cncn2)CC1 69349899 NLYDKFOPLFTZHA-HNNXBMFYSA-N 329.448 1.450 0 40 EDAB Cc1ccccc1C(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F 69419343 TYYNDHXQHDWYSW-UHFFFAOYSA-N 343.358 1.992 0 40 EDAB CCn1cc(CN2CCCN(C(=O)CCn3cc(C)cn3)CC2)cn1 69489751 GOCSBTKGURKIHO-UHFFFAOYSA-N 344.463 1.533 0 40 EDAB Cn1ncc2c(=O)n(Cc3noc(-c4ccc(F)cc4)n3)cnc21 69484160 FSDJHZKHALXGMO-UHFFFAOYSA-N 326.291 1.367 0 40 EDAB Cc1cccc(NC(=O)CN(C)C(=O)c2noc3c2CCCC3)n1 69508828 HBHNGZDCSXLSOJ-UHFFFAOYSA-N 328.372 1.968 0 40 EDAB CCS(=O)(=O)NCCNC(=O)N[C@H]1CCCCc2ccccc21 69509549 WJXYYURVGFGWHN-HNNXBMFYSA-N 339.461 1.693 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)c3cc(C)no3)CC2)n1 69600319 MHAKAENFHBSSHB-UHFFFAOYSA-N 331.376 1.443 0 40 EDAB CCn1cc(CN2CCCN(C(=O)CC[C@@H]3CCCO3)CC2)cn1 69616452 WCLHXPAVDLGZCI-KRWDZBQOSA-N 334.464 1.897 0 40 EDAB CN1C[C@@H](C(=O)NCC(=O)Nc2cccc3ccccc23)CC1=O 69631529 TVOWYBMEQYRICG-ZDUSSCGKSA-N 325.368 1.373 0 40 EDAB O=C(CN(Cc1ccco1)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 69632424 XYEKWELGNUDIRB-CQSZACIVSA-N 348.424 1.590 0 40 EDAB CCN(CC)C(=O)CN1CCN(C(=O)Nc2ccccc2OC)CC1 17744563 BTMNINUMIFUWNK-UHFFFAOYSA-N 348.447 1.713 0 40 EDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2noc(=O)[nH]2)cc1 69743229 TWANENUVYMIJAY-VIFPVBQESA-N 348.359 1.882 0 40 EDAB C[C@H](O)CN1CCN(C(=O)CCCc2ccc3c(c2)CC(=O)N3)CC1 69742534 LUXHCGFNHMLLFP-AWEZNQCLSA-N 345.443 1.029 0 40 EDAB Cc1csc(N2CCN(C(=O)[C@H]3C[C@H]3c3cnn(C)c3)CC2)n1 71841359 ARZGEAVOXRDYHL-KBPBESRZSA-N 331.445 1.637 0 40 EDAB COCc1nc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cs1 71831002 BTIHSIQEZVRTQA-UHFFFAOYSA-N 347.444 1.847 0 40 EDAB C[C@@H](CNC(=O)c1cn2cccnc2n1)CN(C)C(=O)OC(C)(C)C 71896827 MPXQGMGZBWAYJF-LBPRGKRZSA-N 347.419 1.962 0 40 EDAB CS[C@H](C)C(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 71858682 PGUCGBBTSNIQGV-OLZOCXBDSA-N 342.486 1.707 0 40 EDAB Cc1cnn(C2CN(CC3=NS(=O)(=O)c4ccccc4N3)C2)c1 71876855 GGPQMDQIDLSYOO-UHFFFAOYSA-N 331.401 1.261 0 40 EDAB CC(=O)N1CCCC[C@@H]1CC(=O)N1CCC(Nc2cccnn2)CC1 71863472 TYVBOHIJOIQPMT-MRXNPFEDSA-N 345.447 1.671 0 40 EDAB Cc1ncc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)s1 71863756 SELMWWNBABPDCR-OAHLLOKOSA-N 331.441 1.943 0 40 EDAB CCc1nnc(CN2CC[C@@H](N(C)Cc3nnc(C4CC4)n3C)C2)o1 83834278 QMGGNDBWKJQPTJ-CYBMUJFWSA-N 345.451 1.344 0 40 EDAB O=C(Cn1cc(NC(=O)NC[C@H]2CCCO2)cn1)NC1CCCC1 72309666 FZZGTXJJJDOAEI-CQSZACIVSA-N 335.408 1.242 0 40 EDAB O=C1N=C(O)C[C@@H]1N(C(=O)C1=NO[C@@H](c2ccccc2)C1)C1CC1 96703779 XSASFUBARNVCNU-UONOGXRCSA-N 327.340 1.750 0 40 EDAB Cn1cc([C@@H]2OCC[C@@H]2CN[C@@H]2CCN(CC(F)(F)F)C2=O)cn1 84317452 ZPXDFUHRIOUBOW-RAIGVLPGSA-N 346.353 1.251 0 40 EDAB COc1cc(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1C 84187999 ZKFCDLGZSRVZKW-IAGOWNOFSA-N 332.444 1.604 0 40 EDAB O=C(NC[C@H](Cc1ccccc1)C(=O)O)c1[nH]nc2c1CCCC2 97018654 ZRQVMYCRLAIIPR-ZDUSSCGKSA-N 327.384 1.962 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2nc3c(s2)C[C@H](C)CC3)C1 97051546 RLHZEPIQVDDUGJ-VXGBXAGGSA-N 343.518 1.782 0 40 EDAB Cc1csc([C@@H]2CCCCN2C(=O)Cn2ccc(=O)n(C)c2=O)n1 72273817 YKIRPTMSWQKVAF-LBPRGKRZSA-N 348.428 1.066 0 40 EDAB Cc1ccc(NC(=O)N[C@H](C)c2cnn(C)c2)cc1-n1nnnc1C 95403903 RPDWAXPQWGGHRV-LLVKDONJSA-N 340.391 1.895 0 40 EDAB COC1(C)CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1 95453054 SSIZFENCICOVNW-AWEZNQCLSA-N 334.391 1.925 0 40 EDAB O=C(COCCOc1ccccc1)N[C@@H]1CCCCC12OCCO2 95431177 YGQKDXONEIOVFN-MRXNPFEDSA-N 335.400 1.884 0 40 EDAB COC(=O)[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1cn(C)c(C)n1 95443830 OQGGFALKOVMMII-FZMZJTMJSA-N 329.422 1.129 0 40 EDAB C[C@H](NC[C@@H](C)CN1CCOCC1)c1ccc(S(C)(=O)=O)cc1 95968268 QXZHKHQYBYKNBP-CABCVRRESA-N 340.489 1.709 0 40 EDAB Cc1sc(NC(=O)C2CC2)c(C(=O)N[C@@H]2CC(=O)N(C)C2)c1C 95959465 KTZSSNOXNHALBJ-LLVKDONJSA-N 335.429 1.674 0 40 EDAB CN(Cc1cccnc1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 95992674 GMJWHBJQYFNIGL-KRWDZBQOSA-N 334.441 1.825 0 40 EDAB Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCC(=O)NC1 75091884 QUJDKKKQXVXJEO-VIFPVBQESA-N 347.234 1.314 0 40 EDAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)NC[C@H]1CCCC[C@H]1O 86334569 JAYSKZOLCVHPPQ-BXUZGUMPSA-N 347.440 1.726 0 40 EDAB CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CC(=O)NC2CCOCC2)C1 75104992 ONWXSUGIEABPMU-CQSZACIVSA-N 341.452 1.223 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)N2CCN(CCO)CC2)c1C 75572346 MUQRILAOMPGXRS-UHFFFAOYSA-N 328.416 1.239 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H](C)OCC(F)(F)F)CC2)on1 42855603 IOBVDZHXOFBRAF-NSHDSACASA-N 335.326 1.595 0 40 EDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 65404067 AUCAJBUGWPLATE-CYBMUJFWSA-N 335.473 1.829 0 40 EDAB O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@@H]1C2 306134090 NDFFJBQZSJTZEE-KBPBESRZSA-N 341.415 1.458 0 40 EDAB Cc1nc(C(=O)NCCO[C@@H]2CCCCO2)nn1-c1ccc(F)cc1 517976913 APBBZBKZYFZONV-OAHLLOKOSA-N 348.378 1.988 0 40 EDAB O=c1[nH]c(N2CCCCC2)nc2c1CCN(Cc1cccnc1)C2 72334577 UHYZMAWPMQVNCL-UHFFFAOYSA-N 325.416 1.714 0 40 EDAB COc1ncccc1CNC(=O)c1ccc2c(c1)CCN2C(C)=O 31321097 BSBAYHZEWYKPTM-UHFFFAOYSA-N 325.368 1.929 0 40 EDAB CC(=O)N1CC[C@@H]1c1cc(NCC(=O)N2CCCCC2)nc(C)n1 72387084 KPMPTVWCEYDDJN-OAHLLOKOSA-N 331.420 1.503 0 40 EDAB C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCN(Cc2ccncc2)CC1 70782976 ISUAVGNOMIWJIY-WBVHZDCISA-N 333.432 1.310 0 40 EDAB Cc1ccc(-n2cc(C(=O)NC[C@@H](C)N3CCOCC3)nn2)cc1 32650136 RBLOMJICKWSPFX-CQSZACIVSA-N 329.404 1.026 0 40 EDAB Nc1ncc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cn1 72327166 NPWZVGDYSQWTIE-UHFFFAOYSA-N 349.442 1.539 0 40 EDAB COc1ccc(-c2ccc3nnc([C@H]4CCNC4)n3n2)cc1OC 217559056 VOENMYALFVYTMT-LBPRGKRZSA-N 325.372 1.885 0 40 EDAB O=C(NCCCn1ccnc1)[C@H]1CC(c2cc(F)ccc2F)=NO1 79351767 SZYRKYCFAQWQFM-OAHLLOKOSA-N 334.326 1.861 0 40 EDAB CN(C)[C@@H](CNC(=O)c1cc(C(=O)O)n(-c2ccccc2)n1)C1CC1 569239831 ADQNQZKDQDQYKY-INIZCTEOSA-N 342.399 1.641 0 40 EDAB O=C(c1cnc(C(F)(F)F)nc1)N1CCCC[C@@H]1Cn1ccnn1 195571030 ARPUBOZAEFUPIW-LLVKDONJSA-N 340.309 1.782 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@@H](O)c2c(F)cccc2F)C1 195544892 MMGORMGZIPUUGB-JTNHKYCSSA-N 348.415 1.811 0 40 EDAB CCCn1nc(C)c(CNc2ccc(S(=O)(=O)NC)cn2)c1C 195573370 ZSIRVXSCBYEMIX-UHFFFAOYSA-N 337.449 1.825 0 40 EDAB O=S(=O)(C[C@H]1CCCCO1)N1CC[C@@H](c2nc(C3CC3)no2)C1 328893287 AEUMIORUGSFWPW-CHWSQXEVSA-N 341.433 1.635 0 40 EDAB Cn1cc(CNC(=O)[C@]2(C)Oc3ccc(Cl)cc3NC2=O)cn1 41548840 DDHBPVYUBULREY-HNNXBMFYSA-N 334.763 1.480 0 40 EDAB O[C@]1(Cn2ccnn2)CCCN(Cc2noc(C3CCCCC3)n2)C1 571945192 FWNAVKFQCKSVCZ-QGZVFWFLSA-N 346.435 1.736 0 40 EDAB CN1CCN(C)[C@@H](CNC(=O)NCC2(c3cccc(F)c3)CC2)C1 195530662 JTAFPPQBYAWHJI-INIZCTEOSA-N 334.439 1.402 0 40 EDAB Cc1csc2ncnc(NC3CCN(CC(=O)N(C)C)CC3)c12 576126704 BQQQDSKITLHLHR-UHFFFAOYSA-N 333.461 1.964 0 40 EDAB CC(C)CN1C[C@@H]2CN(S(=O)(=O)C(C)C)CCN2C(C)(C)C1 514289887 PMUAOIASGIDOOI-OAHLLOKOSA-N 331.526 1.461 0 40 EDAB biogenic,in-vitro O=C(c1nccn2ccnc12)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 96450192 FSYAADNGAMIQOG-RRFJBIMHSA-N 325.416 1.676 0 40 EDAB O=C(N1CCN(c2cncc3ccccc23)CC1)[C@]1(O)CCOC1 334133399 WGTMNWRENVSHPB-SFHVURJKSA-N 327.384 1.035 0 40 EDAB CC(C)CS(=O)(=O)C1CN(C(=O)c2cc(=O)c3ccccc3o2)C1 96379952 WZRIBOLOUFRCHY-UHFFFAOYSA-N 349.408 1.688 0 40 EDAB CC(=O)N[C@H](CC(=O)N[C@H]1CCc2nc(C)cn2C1)c1ccccc1 97198523 SPIMXTDBXJWJQS-DLBZAZTESA-N 340.427 1.890 0 40 EDAB C[C@@H]1CN(C(=O)COCc2nc(-c3ccncc3)no2)C[C@@H](C)O1 96182048 XPMWMULMRNMLJB-VXGBXAGGSA-N 332.360 1.284 0 40 EDAB O=C(c1ccco1)N1CCn2c(COCc3cccnc3)nnc2C1 96259064 FTPRSPCKFOINNL-UHFFFAOYSA-N 339.355 1.639 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC2)C[C@H](c2cccnc2)C(=O)N3)no1 96199473 MAAABRUEPZXCBP-CQSZACIVSA-N 340.383 1.657 0 40 EDAB Cc1ccc(N2CCC[C@H](N3CCCS(=O)(=O)CC3)C2=O)cc1 96441446 ZCBBFDGJXIWXDR-INIZCTEOSA-N 336.457 1.611 0 40 EDAB COC(=O)c1ccc(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc1 98212733 YVPARFDWMGGZLV-UHFFFAOYSA-N 326.312 1.370 0 40 EDAB O=C(NCC1(c2ccccn2)CCC1)N[C@H]1CC(=O)N2CCCC[C@@H]12 580346716 VVWVFHRPVUVAEP-GJZGRUSLSA-N 342.443 1.956 0 40 EDAB CC(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 96455038 UIBZIIOLHHCSSS-XQQFMLRXSA-N 337.386 1.983 0 40 EDAB O=C(c1ccccc1F)N1CCN(CCOC[C@H]2CCCO2)CC1 96421061 HNGOVRFXAJCPIP-OAHLLOKOSA-N 336.407 1.779 0 40 EDAB COc1ccccc1C(=O)NCCn1c(C)nc2ncccc2c1=O 95479025 XDLFJNQUIFHRDN-UHFFFAOYSA-N 338.367 1.539 0 40 EDAB O=C(NC[C@H](O)CO)Nc1cc(F)c(Br)cc1F 91186794 DLNMDJMBHXQARN-YFKPBYRVSA-N 325.109 1.202 0 40 EDAB O=C1CN(C(=O)c2cnn3c(-c4ccc(F)cc4)ccnc23)CCN1 257227718 FQPHGXYCSKLYSG-UHFFFAOYSA-N 339.330 1.107 0 40 EDAB Nc1nc(N)c2c(n1)O[C@@]1(CCCN(Cc3ccncc3)CC1)C2 257200607 AEAIMMXWLVLXRR-QGZVFWFLSA-N 326.404 1.396 0 40 EDAB CN(CCC(=O)N1CC[C@]2(C)NC(=O)CC[C@H]12)c1ccc(F)cc1 257247457 IZCRHOYBCFFNIM-YJBOKZPZSA-N 333.407 1.922 0 40 EDAB Cc1cc(C)n(CCCC(=O)N2CCOC[C@H]2c2[nH]ncc2C)n1 257236207 HBEYSPLZVMAESK-HNNXBMFYSA-N 331.420 1.912 0 40 EDAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(CC(N)=O)C[C@H]3C[C@H]21 257341069 ZISLODXCEOXXER-MDRZDLKXSA-N 346.427 1.817 0 40 EDAB CCOc1ccc(C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)cn1 1597059409 AYDNAFGCOLUNJW-MRXNPFEDSA-N 342.351 1.971 0 40 EDAB COCC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 585087058 HHNSWBNJLFJOBY-HIFRSBDPSA-N 342.436 1.554 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257287036 POFHSDIVNULFQH-KBPBESRZSA-N 333.356 1.269 0 40 EDAB Nc1cccc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257207727 BIYQIRSHMFLDOZ-CQSZACIVSA-N 325.372 1.545 0 40 EDAB O=C(c1ncccn1)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 253615418 DLXYJCVHMXEMKL-AWEZNQCLSA-N 342.424 1.789 0 40 EDAB CN(CCCCO)C(=O)[C@H](CC(C)(C)O)N(C)C(=O)OC(C)(C)C 585135676 VUZJEGDZINAJBW-ZDUSSCGKSA-N 346.468 1.614 0 40 EDAB CC(C)(Cc1ccc(O)cc1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 1615590560 MQCGWNQRZSSMDW-CYBMUJFWSA-N 340.445 1.111 0 40 EDAB CCn1cc(C(=O)N2CCO[C@@H](C(F)F)C2)c(-c2cnn(C)c2)n1 606443011 LNYREORRQVAGPS-GFCCVEGCSA-N 339.346 1.410 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)Cc2ccc(-n3cccc3)cc2)[C@@H]1O 585285242 NONDXDOIPSKVIA-SUMDDJOVSA-N 344.411 1.158 0 40 EDAB CCc1ccccc1S(=O)(=O)N1CCCC[C@H]1c1nc(O)n[nH]1 585142097 OWROVDDCXPANEN-LBPRGKRZSA-N 336.417 1.989 0 40 EDAB O=C(Cc1cccnc1)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585268945 FFVCJNVAGFQXNF-LJQANCHMSA-N 344.386 1.596 0 40 EDAB CN(C)C(=O)C[C@@]1(O)COCCN(Cc2ccnc3ccccc23)C1 585280661 MWBNTZJFFFCBKO-IBGZPJMESA-N 343.427 1.276 0 40 EDAB O=C(CCn1cncn1)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 585283802 DTRAYBCKQOUMRY-FRFSOERESA-N 330.388 1.003 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 46889273 XERPVJVCIRQIDI-LBPRGKRZSA-N 332.379 1.666 0 40 EDAB COc1c(F)cc(NC(=O)NCC(=O)NCC(F)(F)F)cc1F 56715992 YSYMVCAWEWRRCR-UHFFFAOYSA-N 341.236 1.773 0 40 EDAB Cn1ncc2c(=O)[nH]c(CN3CCCc4cc(F)cc(F)c43)nc21 52827730 BNTXDIRGAROZKR-UHFFFAOYSA-N 331.326 1.888 0 40 EDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC2CC2)CC1 55668234 CLIWTVIFZGZCJG-UHFFFAOYSA-N 340.427 1.410 0 40 EDAB COCCNC(=O)CCNC(=O)Cc1ccc(-n2cccc2)cc1 56189625 GBCVJHKJABXEKH-UHFFFAOYSA-N 329.400 1.289 0 40 EDAB Cc1cc(OCC2CCN(c3cc(C)nc4ncnn34)CC2)ncn1 1565520855 VTRXTNASTFGWNB-UHFFFAOYSA-N 339.403 1.827 0 40 EDAB CN(CCO)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 70924385 RARWHMNDEFFFAC-OAHLLOKOSA-N 334.416 1.436 0 40 EDAB CC(C)[C@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 75116553 NFMMDTBYYXORDC-VQIMIIECSA-N 332.444 1.743 0 40 EDAB CN(C)c1nccc(NCc2ccccc2CN2CCOCC2)n1 77486600 FDVMXDPFCQYLBL-UHFFFAOYSA-N 327.432 1.987 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(CCOc3cccc(F)c3)C2=O)cn1 101404010 VNBIKORGCJLJIU-CYBMUJFWSA-N 331.347 1.556 0 40 EDAB O=S(=O)(NCC1(OCCO)CCCC1)c1ccc2c(c1)CCO2 888106973 HDIQFNYVYXOEOD-UHFFFAOYSA-N 341.429 1.222 0 40 EDAB N[C@H]1CC12CCC(NC(=O)Cc1ccn(CC(F)(F)F)n1)CC2 1615546972 QXSXHFDHOYJRDH-KHJSKFAYSA-N 330.354 1.764 0 40 EDAB C[C@@H](NC(=O)NCc1cccc(C(F)(F)F)n1)c1nnnn1C 1615616229 YLBJJFMGOCZTQI-SSDOTTSWSA-N 329.286 1.184 0 40 EDAB O=C1C[C@H](c2ccccc2)N2N=C(NC(=O)/C=C/c3ccco3)NC2=N1 1235329 UAHGIFVJZAETAI-MYSGNRETSA-N 349.350 1.613 0 40 EDAB COc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 5250946 NJBUQARCLNPOGF-UHFFFAOYSA-N 342.351 1.721 0 40 EDAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H]2CC[C@@H]1C2 13320894 JEFKNEIGTPZOPI-NEBZKDRISA-N 346.383 1.311 0 40 EDAB C[C@H](NC(=O)CN1C(=O)[C@H]2CCCN2C1=O)c1ccc(Cl)cc1 14372141 RSWWEJNNPGXVLZ-GXFFZTMASA-N 335.791 1.944 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 17320910 HHDNGFIRSRPKSE-UHFFFAOYSA-N 348.380 1.253 0 40 EDAB CCNC(=O)CN1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O 19529351 LURODMAXJQTISK-UHFFFAOYSA-N 345.443 1.430 0 40 EDAB O=C(NC1CCC(O)CC1)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 240178591 ZBQJVKYCYLAJGY-WXRRBKDZSA-N 340.807 1.936 0 40 EDAB Cc1cc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)no1 390831483 SCGFDYLHVOOTSG-QMMMGPOBSA-N 329.282 1.629 0 40 EDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)C5CCC5)C[C@@H]4C3)nn12 1888866738 BIUKEOMDVAQCTB-KBPBESRZSA-N 340.431 1.381 0 40 EDAB COc1ccnc(N2CCN(c3ccc4nc(C)cn4n3)CC2)n1 1888888301 ZCFQELRVBQSCKU-UHFFFAOYSA-N 325.376 1.163 0 40 EDAB Cc1nc(C)c(CN2CCO[C@@H](C(=O)N3CCSCC3)C2)s1 1888890520 XRVOOQUYPBKKDH-CYBMUJFWSA-N 341.502 1.536 0 40 EDAB Cc1nc2ccccc2nc1N1CCC(NS(=O)(=O)C2CC2)CC1 1889134001 ZEVQQBLXSOWYDB-UHFFFAOYSA-N 346.456 1.989 0 40 EDAB O=C1CC(C(=O)N2CC3(C[C@H](N4CCCCC4)CS3)C2)=CC=N1 2056223946 INNRXHQSKAEKDJ-AWEZNQCLSA-N 333.457 1.486 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3C[C@]32C(=O)N2CCC(C)CC2)n(C)n1 2056225368 OOKCBBAHGUAWNN-RDTXWAMCSA-N 330.432 1.592 0 40 EDAB Cn1cnc(C(=O)N2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)n1 1614937172 IUXOEFGNIYLQBH-OAHLLOKOSA-N 331.401 1.146 0 40 EDAB COc1ccc(C(=O)N2C[C@H]3CN(CC(C)C)C(=O)[C@H]3C2)c(OC)c1 1565554203 MFIYKODABRIWAO-CJNGLKHVSA-N 346.427 1.890 0 40 EDAB O=C(CC1(O)CCC1)N1CCCn2nnc(CN3CCCCC3)c2C1 1565544833 SOXLNYFUDWRSHH-UHFFFAOYSA-N 347.463 1.301 0 40 EDAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 828012 NQXBEJWWZVOCHK-UHFFFAOYSA-N 333.779 1.557 0 40 EDAB COC(=O)[C@@H](CSCSC)NS(=O)(=O)c1ccc(C)cc1 2350963 VTECDPVYMZLZFB-GFCCVEGCSA-N 349.499 1.869 0 40 EDAB COc1ccnc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C 9571635 ZQKHHKUBJIHHDX-UHFFFAOYSA-N 331.759 1.806 0 40 EDAB O=C(NCc1ccco1)c1noc2c1C[C@@H](NC(=O)C1CC1)CC2 2055738996 GGKGSFSZICKLQO-NSHDSACASA-N 329.356 1.581 0 40 EDAB O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@H](N2C(=O)CNC2=O)C1 575610944 PMITWMUACRFYOV-VIFPVBQESA-N 342.182 1.760 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@@H](c2ccc(O)cc2)N1 11665634 QYOKHZWYEXEWIJ-SWLSCSKDSA-N 329.356 1.021 0 40 EDAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1cnccn1 70926478 MMLOPKFFNHAEMI-UHFFFAOYSA-N 325.372 1.154 0 40 EDAB COc1ccc(-c2nnn(Cc3ccc4c(c3)OCO4)n2)cc1N 40162896 CKNRQAUNICHHFS-UHFFFAOYSA-N 325.328 1.708 0 40 EDAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nccs1 40310297 MYTRWVRQNUGLMY-MRXNPFEDSA-N 342.380 1.691 0 40 EDAB biogenic COc1ccc(OC)c([C@H](O)CNC(=O)c2cccnc2OC)c1 31330016 AEMCFIAHQNJPAX-CQSZACIVSA-N 332.356 1.571 0 40 EDAB C[C@@H](Oc1ccccc1Cl)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 40466695 INPUKBYTROXSGB-MNOVXSKESA-N 331.821 1.753 0 40 EDAB CC1(C)NC(=O)N(CCSCC(=O)NC2CCCCC2)C1=O 31421531 XOTFNFMJKUPOAN-UHFFFAOYSA-N 327.450 1.499 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)N[C@@H]1CCN2CCCC[C@H]12 40534767 GUAQTEPKIQKUGJ-HZPDHXFCSA-N 326.400 1.140 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1S(N)(=O)=O 32781063 MNWIFEJRNBTOFC-AWEZNQCLSA-N 332.381 1.585 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CCNC(=O)c3ccco3)CC2)n1 32804112 OMEPWKUSIVMVQQ-GFCCVEGCSA-N 333.392 1.080 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2Cl)n(C)c1 29699352 PYKPTAKSDRKZQQ-UHFFFAOYSA-N 341.820 1.517 0 40 EDAB CCN1C(=O)C(=O)N(Cc2cc(Br)ccc2OC)C1=O 8206698 VHNCCPWBGZLBBY-UHFFFAOYSA-N 341.161 1.768 0 40 EDAB Cc1nn(CCC(=O)NC2=NCCS2)c(C)c1Br 2776715 QKIWLKRXKRNFOA-UHFFFAOYSA-N 331.239 1.872 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@@H]1C(=O)N(C)C 77582516 RINONQWWWTYVIB-LLVKDONJSA-N 345.428 1.601 0 40 EDAB Cc1cccnc1NC(=O)Cc1c(C)nc2c(c1C)c(=O)[nH]n2C 78497492 NUXUNBCMNSFBBI-UHFFFAOYSA-N 325.372 1.763 0 40 EDAB CCOC(=O)C(CC[C@H](C)C(F)(F)F)(NC=O)C(=O)OCC 1589778 HQHPRVDCQZJHIN-VIFPVBQESA-N 327.299 1.576 0 40 EDAB Cc1nc(CN(C)[C@@H]2CCN(CC[S@@](=O)c3ccccc3)C2)no1 78891174 LEKYAKPRBHSNLB-MYYSRTQBSA-N 348.472 1.692 0 40 EDAB CCCc1noc(CCC(=O)N2CCO[C@H](c3nc(CC)n[nH]3)C2)n1 78888856 GERGPPBSFRKCSY-NSHDSACASA-N 348.407 1.235 0 40 EDAB C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc(-n2ccnc2)nc1 79060066 JEQCDGWJTWPRTB-HNNXBMFYSA-N 342.447 1.941 0 40 EDAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)c1ccccc1-n1cnnn1 32932400 ONWJSMHAUMPPLR-UHFFFAOYSA-N 345.366 1.982 0 40 EDAB Cc1nnc(NC(=O)c2c(I)cnn2C)s1 2776990 QCYUFAZDGBUGPY-UHFFFAOYSA-N 349.157 1.437 0 40 EDAB NC(=O)COc1ccc(C(=S)NCc2ccc3c(c2)OCO3)cc1 4721013 QOXIEJRQSFYCQH-UHFFFAOYSA-N 344.392 1.745 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)NCCCn1cccn1 47305739 WAKVUWYSERIXEL-UHFFFAOYSA-N 328.401 1.925 0 40 EDAB CC(C)(C)NS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 8315567 ODKCAIXUUMGXRQ-UHFFFAOYSA-N 326.418 1.236 0 40 EDAB COC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 8341550 FJOXTAFFNHSQTE-LLVKDONJSA-N 344.367 1.841 0 40 EDAB CCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O 3015710 GSJZMNQRNWOEHL-UHFFFAOYSA-N 325.372 1.377 0 40 EDAB CCN(CC)CCNC(=O)C1CCN(C(=O)N(CC)CC)CC1 42377958 MMWJBFBJUPHDKJ-UHFFFAOYSA-N 326.485 1.618 0 40 EDAB CC(=O)N1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 23386740 RLJPVGDJTANUSQ-GFCCVEGCSA-N 347.242 1.897 0 40 EDAB C[C@@H]1CCc2sc(C(=O)NCC3(C(N)=O)CCOCC3)cc2C1 47931287 MQZCUESDCXKRHY-LLVKDONJSA-N 336.457 1.885 0 40 EDAB C[C@@H](CNC(=O)NCc1nc2ccccc2s1)N1CCOCC1 47957342 PWPYODKUASZHPZ-LBPRGKRZSA-N 334.445 1.816 0 40 EDAB O=C(NCCCn1ccnc1)N[C@H]1CCCN(c2ncccn2)C1 42897907 WXNLPGYUYBPWOT-AWEZNQCLSA-N 329.408 1.031 0 40 EDAB CN(C)[C@@H](CNc1ncnc2c1cnn2CCO)c1cccs1 97199659 KWZGYGLQDJNKCA-LBPRGKRZSA-N 332.433 1.595 0 40 EDAB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc(OC(F)F)cc1 3294464 SJQKQTRIUIWGLH-UHFFFAOYSA-N 338.266 1.717 0 40 EDAB CCS(=O)(=O)c1cccc(CC(=O)N2[C@@H](C)CN(C)C[C@@H]2C)c1 97141701 XGDROPMCNYRHML-KBPBESRZSA-N 338.473 1.574 0 40 EDAB CCN(C(=O)c1ccc2c(c1)N(C)CC2)[C@@H](C)CS(=O)(=O)CC 97108910 YVEAVXSNWJEWTN-ZDUSSCGKSA-N 338.473 1.964 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1CCO[C@@H](Cn2cccn2)C1 69386543 OMCKDCVAXUKHHG-OAHLLOKOSA-N 334.445 1.304 0 40 EDAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)OCCO)ccc1Cl 25401725 YHRCQHRYZOTPRH-UHFFFAOYSA-N 335.809 1.566 0 40 EDAB OCCn1ncc2c(NCc3ccc4c(c3)OCCO4)ncnc21 97199720 FXROCSXPZHPLSP-UHFFFAOYSA-N 327.344 1.202 0 40 EDAB CCN1C[C@H](CN(C)C(=O)NCCn2ccnc2)Oc2ccccc21 48285737 ABTNFFNPIBXCJV-HNNXBMFYSA-N 343.431 1.812 0 40 EDAB O=C(CN1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1)N1CCCCC1 48251680 WCPLYUUZKYLECU-UHFFFAOYSA-N 345.447 1.057 0 40 EDAB C[C@@H](NC(=O)[C@@H](C)Sc1ccc(Br)cc1)C(N)=O 48294361 NFPIMTHSZVNOKP-HTQZYQBOSA-N 331.235 1.920 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCCC2)cc1 3350337 KRRSNDBASNRXFM-UHFFFAOYSA-N 325.386 1.259 0 40 EDAB CCCCNC(=S)NNC(=S)NCc1ccc2c(c1)OCO2 3326341 RAUNKUUHJFKSJK-UHFFFAOYSA-N 340.474 1.559 0 40 EDAB Cn1ccnc1CN(C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C1CC1 58180557 QPUMUHBYSJDDOD-CQSZACIVSA-N 330.432 1.560 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H]1CN(C)CCO1 58291060 FMTPHZKWGZZNMH-KRWDZBQOSA-N 342.443 1.478 0 40 EDAB CC(C)c1ccc(O)c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 58228963 QBFXLEBEKKNCBL-UHFFFAOYSA-N 345.443 1.552 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N(C)Cc2nnc3ccccn23)cc1 58200913 BSMGEZGLXRSJJS-DHZHZOJOSA-N 349.394 1.761 0 40 EDAB Cc1cccc(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 58282166 LPDLWKKRUKSHIJ-SNVBAGLBSA-N 333.413 1.338 0 40 EDAB CCc1ccc(CNC(=O)CNS(=O)(=O)c2cccs2)s1 58273353 JKHHTXBGWMFQNN-UHFFFAOYSA-N 344.483 1.967 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CN2CCC(c3cc[nH]n3)CC2)o1 58208878 MIUIZFPADLABTB-UHFFFAOYSA-N 338.433 1.633 0 40 EDAB O=C(NCCN1CCOCC1)[C@@H](c1ccccc1)N1CCSCC1 58201604 OVGFVEGIROLACQ-QGZVFWFLSA-N 349.500 1.225 0 40 EDAB COc1ncccc1CNC(=O)C[C@H](NC(N)=O)c1ccccc1C 44908754 MAEFDVAKUHPEPE-HNNXBMFYSA-N 342.399 1.815 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCC2(CC1)OCCS2 70637287 CJDALJIMWJNAEO-UHFFFAOYSA-N 334.397 1.677 0 40 EDAB O=C(NCc1ccnc(-n2ccnc2)c1)c1ccnc(-n2cncn2)c1 58393450 WRDQYPSRKUXSFL-UHFFFAOYSA-N 346.354 1.173 0 40 EDAB CCCCNC(=O)CN1CCN(C(=O)c2ccnc(Cl)c2)CC1 28010334 HQSFLJWLRGSTFA-UHFFFAOYSA-N 338.839 1.409 0 40 EDAB COc1c(CNCCCN2C(=O)NC3(CCCC3)C2=O)c(C)nn1C 58406846 XYJAGGHNNVOSEG-UHFFFAOYSA-N 349.435 1.081 0 40 EDAB CC(C)NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408708456 ICEWGOXDRTWBMI-UHFFFAOYSA-N 329.356 1.673 0 40 EDAB O=C1CN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)CCN1 10888136 NICHRUUNZPDNOB-UHFFFAOYSA-N 328.372 1.003 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCNCc2ccccc2Cl)C[C@H](C)O1 48783182 SZNYTSITFUFRFF-STQMWFEESA-N 346.880 1.869 0 40 EDAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc[nH]c1=O 69455327 VZLJYHNHBYWBQG-UHFFFAOYSA-N 339.273 1.762 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@@H]1c2ccccc2C[C@@H]1O 69459539 QIWMGTIRLLRPAC-ZWKOTPCHSA-N 342.443 1.313 0 40 EDAB Cc1cnn(CC(=O)N2CCCN(Cc3cnn(C(C)C)c3)CC2)c1 69560811 ZQZBKYZHLYZPTE-UHFFFAOYSA-N 344.463 1.703 0 40 EDAB CNC(=O)c1cccc(NC(=O)NCCC(=O)N2CCCCCC2)c1 69562117 ZKMANHYBKJOSGC-UHFFFAOYSA-N 346.431 1.960 0 40 EDAB NC(=O)c1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cn1 91766503 VKMVJMDPIUTUEC-NHYWBVRUSA-N 347.321 1.407 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)CCCc2ccccn2)CC1 69632062 BIGGXDZYVNNVHH-KRWDZBQOSA-N 333.476 1.956 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1cc(=O)n3cccc(C)c3n1)CC2 69661314 DCPWKVPUYUHNFQ-CYBMUJFWSA-N 338.415 1.261 0 40 EDAB Cn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2)n(C)c1=O 4249368 ATFPJVIIIFNWBP-UHFFFAOYSA-N 345.790 1.629 0 40 EDAB CC(C)CCNC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl 69772391 VLFHLRFKGVHTOI-LLVKDONJSA-N 347.868 1.954 0 40 EDAB CC(C)NC(=O)[C@H](C)S(=O)(=O)Cc1ccc(-n2cccn2)cc1 69737672 HJVYZEAYIBVCHC-ZDUSSCGKSA-N 335.429 1.700 0 40 EDAB CC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 5262018 NOTKJRHBYIUAAT-UHFFFAOYSA-N 325.386 1.607 0 40 EDAB O=C1COc2ccc(C(=O)COC(=O)COc3ccccc3)cc2N1 6460258 DLUYHOVCRYCMRQ-UHFFFAOYSA-N 341.319 1.822 0 40 EDAB Cc1cccn2cc(CC(=O)NCCN3C[C@@H](C)O[C@H](C)C3)nc12 65626525 XLTVUOZACAKAKA-HUUCEWRRSA-N 330.432 1.411 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2C(N)=O)o1 69812698 KYSVBWSMHYZKRN-UHFFFAOYSA-N 338.341 1.274 0 40 EDAB CN(C)C[C@@H]1CN(CCCS(=O)(=O)c2ccccc2)CCO1 69818921 DZNNWNGJVXXERS-OAHLLOKOSA-N 326.462 1.113 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccccc1Cl 14408480 MMMPGRYHJXBIGI-SECBINFHSA-N 335.791 1.835 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 4689549 GCNKGPXPROBMOC-LBPRGKRZSA-N 334.397 1.418 0 40 EDAB Cc1noc([C@@H](C)NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)n1 69812486 VLTVXJPOCJEMTK-KOLCDFICSA-N 340.449 1.893 0 40 EDAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)NCc1ccco1 6602550 RPUSGTQIUFENGR-GQCTYLIASA-N 329.308 1.881 0 40 EDAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN(C)C 4860019 PDSVQPBNVWMSRQ-UHFFFAOYSA-N 335.360 1.472 0 40 EDAB Cc1nc2ccc(C(=O)OCC(=O)NC(=O)NC(C)C)cc2nc1C 6848417 KVXKCLPXOZLVDZ-UHFFFAOYSA-N 344.371 1.638 0 40 EDAB O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1ccccc1N1CCC[C@@H]12 8741378 WROCESJQAWDQLC-KDOFPFPSSA-N 341.436 1.604 0 40 EDAB CCNC(=O)[C@H]1CCCN(C(=O)CCc2ccc(C(=O)OC)cc2)C1 68323196 FWSVZYNZXMAJKA-INIZCTEOSA-N 346.427 1.781 0 40 EDAB CC(C)Cc1nnc(NC(=O)CN(C)[C@@H]2CCCCNC2=O)s1 97228570 NUIMYARZFKQLNZ-LLVKDONJSA-N 339.465 1.276 0 40 EDAB O=C(Cn1cnnn1)N[C@@H](COCc1ccccc1)c1ccccc1 96418987 RSYDQWZWDODETA-KRWDZBQOSA-N 337.383 1.747 0 40 EDAB COC(=O)[C@@](C)(NC(=O)C1CCOCC1)c1cc(F)ccc1F 96403812 JRYQIMMXRROWFK-INIZCTEOSA-N 327.327 1.896 0 40 EDAB Cc1ncn(CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c1C 72610317 JYTDDNJPFMWDLJ-LBPRGKRZSA-N 332.379 1.633 0 40 EDAB Cc1nc(C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)cs1 71898265 OBPOGHKWLONRPK-LBPRGKRZSA-N 325.459 1.632 0 40 EDAB C1CCC2(C1)OC[C@H](CNCCNC[C@H]1COC3(CCCC3)O1)O2 19996053 HHAHKYISQVFGKB-HOTGVXAUSA-N 340.464 1.537 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1cccs1)C3 19962266 ZZZVNEGFVBKHSR-MRVPVSSYSA-N 327.365 1.596 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)o1 83895832 VTXLVNMBPWSGFK-SNVBAGLBSA-N 329.374 1.256 0 40 EDAB O=C(CCNC(=O)c1c[nH]c2ccccc2c1=O)Nc1ccncc1 71924379 VSTRYWQGEMGVNX-UHFFFAOYSA-N 336.351 1.682 0 40 EDAB O=C(CN1CCN(c2ccnc3ccccc23)CC1)N1CCOCC1 95394643 BAJLUWNSZNQCBA-UHFFFAOYSA-N 340.427 1.216 0 40 EDAB c1ccc(-c2n[nH]c(C3CCN(c4ccc5nnnn5n4)CC3)n2)cc1 95393759 GUZGAVZUCJLUMB-UHFFFAOYSA-N 347.386 1.688 0 40 EDAB O=c1ccccn1CCN1CCN(C[C@H](O)c2ccc(F)cc2)CC1 95360764 HMYNUASWYBPLOZ-SFHVURJKSA-N 345.418 1.339 0 40 EDAB O=C(c1ccc2ncccc2c1)N1CC[C@H]2NCCC[C@]2(C(=O)O)C1 72144715 UOSRNKCUACHWEI-APWZRJJASA-N 339.395 1.904 0 40 EDAB CC(=O)N1[C@H](C(=O)N2CCOCC2)CS[C@@H]1c1ccc(C)cc1 9846083 IFEUAAZHOPUPID-DOTOQJQBSA-N 334.441 1.816 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)c2cc(C(N)=O)cs2)c(C)nn1C 72234417 SAEBYRXYYJQXIC-NSHDSACASA-N 348.428 1.875 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1cccnc1N(C)C)C2 72279558 UKLNNEDKAKLZOK-UHFFFAOYSA-N 326.404 1.568 0 40 EDAB O[C@@H](CNC[C@H]1CCCN1c1cccnn1)COc1ccc(F)cc1 72276750 ZHBFAOLTCFUBEE-CVEARBPZSA-N 346.406 1.614 0 40 EDAB COc1ccc(C(F)(F)C(=O)N2CCN(c3cnccn3)CC2)cc1 95439334 PNOHYLXJTHFUQJ-UHFFFAOYSA-N 348.353 1.926 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[C@@H]1c1ccccc1F 73423597 RPMIAVKPTJFYPT-TZMCWYRMSA-N 328.409 1.469 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1 95974041 KOMNLUDTQHDZMQ-LSDHHAIUSA-N 341.415 1.614 0 40 EDAB CN(C)C1(CNS(=O)(=O)c2ccc3c(c2)CCC3)CCOCC1 74357493 AWTAYPVCWTVNCY-UHFFFAOYSA-N 338.473 1.564 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3ncccc3O)c(C)c12 89499592 LXKFWOZJNMXCAD-UHFFFAOYSA-N 341.371 1.550 0 40 EDAB C[C@]1(c2cccnc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O 75094296 UTKIBJWIUCOBGQ-MRXNPFEDSA-N 344.396 1.227 0 40 EDAB CCCOc1ccc(OCC(=O)NCCN2C(=O)CCCC2=O)cc1 75148355 LFRVGCOZTVZVNU-UHFFFAOYSA-N 348.399 1.510 0 40 EDAB COC(=O)c1cc(CNC(=O)c2cccc(OC)n2)ccc1OC 75108125 QMULTRAKQCTTGA-UHFFFAOYSA-N 330.340 1.815 0 40 EDAB Cc1ccc(C(=O)O[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)cn1 89652201 OVIBGVKYLCWYOJ-HUUCEWRRSA-N 347.415 1.295 0 40 EDAB O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCCSCC1 89834777 UNEFXWBAHVCUOY-OAHLLOKOSA-N 334.441 1.380 0 40 EDAB CC(C)Cc1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)no1 89856550 OLVHCTVHTOHBOR-SJKOYZFVSA-N 349.435 1.420 0 40 EDAB O=C(NC[C@@H]1CCC(F)(F)CO1)N1CC[C@@H]2[C@H]1CCCN2CCO 1553245022 ZXCWSONFZGPBMI-BFHYXJOUSA-N 347.406 1.041 0 40 EDAB CCc1cc(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)c(C)nn1 544809408 YTLILLHMSFPSME-CYBMUJFWSA-N 329.379 1.890 0 40 EDAB COc1cc(C)nc(N2CCC(C(=O)NCc3cccnc3)CC2)n1 35315736 KMXCGJCWLXUKGB-UHFFFAOYSA-N 341.415 1.721 0 40 EDAB COc1cccc(CC(=O)N2CC[C@H]3[C@H]2CCN3c2ncccn2)c1 306128144 GRPFQTSXDZQNOL-SJORKVTESA-N 338.411 1.908 0 40 EDAB COCCOc1ncccc1NS(=O)(=O)[C@H]1CCCC[C@H]1O 78552085 XTHQZTPOCDZOFV-OLZOCXBDSA-N 330.406 1.152 0 40 EDAB O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCn2nncc2C1 518397117 OZLAEEUCWACJCM-UHFFFAOYSA-N 348.306 1.207 0 40 EDAB CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@]2(COC)C(N)=S)cc1 218494224 YGJANHUYSDUOHE-NFAWXSAZSA-N 327.471 1.678 0 40 EDAB Cn1cccc1[C@H](O)CNC(=O)CCS(=O)(=O)c1ccccc1 75155074 DKQLAJHFMKUNKH-OAHLLOKOSA-N 336.413 1.039 0 40 EDAB CN(C)c1cccc(S(=O)(=O)NC[C@H](C(=O)O)c2ccccc2)c1 549516947 HJTPFUJALSXFHU-INIZCTEOSA-N 348.424 1.899 0 40 EDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 218109125 YFJSAXROTFWLGP-OKZBNKHCSA-N 346.452 1.600 0 40 EDAB CNc1cc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)nc(C)n1 72387866 IWZAFQNGTSEQGT-OAHLLOKOSA-N 348.428 1.589 0 40 EDAB O=C(c1nnn2c1nc(O)c1cc(Cl)ccc12)N1CCOCC1 33435956 GECWMLCRGFXALN-UHFFFAOYSA-N 333.735 1.109 0 40 EDAB CCOC(=O)N1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 36383668 URJGDAHRWLGTOX-UHFFFAOYSA-N 339.823 1.730 0 40 EDAB COc1ccccc1CN1C[C@H](C(=O)Nc2nnc(C)s2)CC1=O 31813464 HHAGCUVOCNYMMW-GFCCVEGCSA-N 346.412 1.842 0 40 EDAB O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2F)CCO1 560481476 PMEFBLBDCQKPGZ-LBPRGKRZSA-N 339.344 1.453 0 40 EDAB NC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CC1 79047186 JXYKPQASZHLAPP-KGLIPLIRSA-N 337.370 1.088 0 40 EDAB O=C(c1ccc(Br)o1)N1CCN(c2cnccn2)CC1 44298545 PWFGAWHPODQMBF-UHFFFAOYSA-N 337.177 1.795 0 40 EDAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC 217467736 ZNZHZXPTYHRFQW-UHFFFAOYSA-N 344.433 1.912 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O)C1CCCC1 77264026 RMFBUBMUUWOYRL-KFWWJZLASA-N 346.418 1.589 0 40 EDAB biogenic,in-vitro Cc1cccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCC3)c2=O)c1 222658700 UPEWNRCJXNYJAG-UHFFFAOYSA-N 329.356 1.128 0 40 EDAB O=C(CN1CCCOC1=O)NCc1ccc(Br)cc1 84584471 CIFLTXJMYNPJMT-UHFFFAOYSA-N 327.178 1.908 0 40 EDAB COc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1OC 224270710 HRFMTKCMGYPSDS-UHFFFAOYSA-N 338.389 1.361 0 40 EDAB NC(=O)C1CCN(C(=O)Cn2ccc(=O)c3cc(Cl)ccc32)CC1 225724146 KDIUUZZZELPEGN-UHFFFAOYSA-N 347.802 1.379 0 40 EDAB O=C(N[C@H]1CCNC1)c1cnn(-c2ccc(Br)cc2)n1 1580753179 HLCZALFYDQHLER-JTQLQIEISA-N 336.193 1.122 0 40 EDAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2cnccn2)n1 96100345 BDYOYIONAAVEKT-HOTGVXAUSA-N 337.383 1.196 0 40 EDAB CNC(=O)CO[C@@H]1CO[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 96222297 GCAKOKMTHCMGRE-LRDDRELGSA-N 338.429 1.274 0 40 EDAB O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1cn2ccsc2n1 95350086 ONGBWUWRKURVRF-AWEZNQCLSA-N 341.392 1.976 0 40 EDAB Cc1cccc(C(=O)N2CCCn3nnc(Cn4cccn4)c3C2)c1 96259539 AGBSDWQACCVWPD-UHFFFAOYSA-N 336.399 1.877 0 40 EDAB O=S(=O)(NCc1cscn1)c1cnn(-c2ccccc2F)c1 96427846 GIYWUFBQUIPNHA-UHFFFAOYSA-N 338.389 1.946 0 40 EDAB COC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)Cc2nccn2C1 96187760 XJWBWWWEWWILQS-GFCCVEGCSA-N 339.392 1.489 0 40 EDAB COCCC(=O)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1 96110448 YBGQYYBLEWMLDO-PBHICJAKSA-N 338.379 1.644 0 40 EDAB O=C(CCOCC(F)(F)F)N[C@H]1CC(=O)N(CC(F)(F)F)C1 96414029 GJIAZLMISYKSMJ-ZETCQYMHSA-N 336.232 1.235 0 40 EDAB CN(C)[C@H]1CCN(C(=O)c2nc3c(s2)CCCN3C(=O)C2CC2)C1 96264697 KOVKTZSODOPFPS-LBPRGKRZSA-N 348.472 1.608 0 40 EDAB COCCN1CCC(c2nc3ccc(-c4ccnn4C)cn3n2)CC1 96086954 WIOOOQNIAPNHSP-UHFFFAOYSA-N 340.431 1.956 0 40 EDAB CCO[C@@H]1CCN(C(=O)NCc2cccnc2)[C@@H]1Cc1cnn(C)c1 96200632 BLMYBPQLQQWIAD-IAGOWNOFSA-N 343.431 1.747 0 40 EDAB O=C(c1ccncn1)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 96039909 GNNDWXSOYCFBRM-FUHWJXTLSA-N 331.416 1.915 0 40 EDAB CC(C)C(=O)N1CCN(C(=O)c2ccco2)C[C@]2(CC(=O)N(C)C2)C1 97952753 UDOPDQHXFQUMCR-SFHVURJKSA-N 347.415 1.069 0 40 EDAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccccn3)C[C@H]12)c1ccno1 96185495 DUKCYBFWDUYUPW-JLJPHGGASA-N 342.399 1.337 0 40 EDAB Cn1nc(C(=O)N2CCOCC2)c2c1CN(Cc1ccccc1)CC2 96187489 QGYQLPSRYFVINH-UHFFFAOYSA-N 340.427 1.451 0 40 EDAB CC(C)(CN1CCC[C@H]1C(=O)NCC1CCCCC1)S(C)(=O)=O 93765127 OPWQJSBBMORJJP-HNNXBMFYSA-N 344.521 1.971 0 40 EDAB COc1ccc(NC(=O)C(C)(C)C(=O)O)cc1-n1nnnc1C1CC1 580567781 LDVGLKNATZGCJF-UHFFFAOYSA-N 345.359 1.598 0 40 EDAB Cc1cnc(N2CCOC[C@]3(CCN(Cc4nccn4C)C3)C2)nc1 96202077 ZQXYBDKFUSABNY-SFHVURJKSA-N 342.447 1.247 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 583615417 HMUQJZZMMOWMIQ-NDGNEDBOSA-N 346.406 1.601 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(C[C@H](C)c2ccc(OC)cc2)C1 245770264 XDPURDPIULQPDG-XJKSGUPXSA-N 326.462 1.812 0 40 EDAB CO[C@H]1CN(C(=O)c2cccc(-n3cnnc3)c2)CC[C@@]12CCCO2 257211821 CAOCEAVRHDSSIB-WMZOPIPTSA-N 342.399 1.677 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NC2CC(F)(F)C2)[C@@H]1c1cnn(C)c1 584328053 JLAYLIZUIGDMSS-AAEUAGOBSA-N 326.347 1.244 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCCc2cc(C)n(C)n2)cc1 253399109 ILHHPRJXUOBWIW-UHFFFAOYSA-N 337.401 1.036 0 40 EDAB Cc1nc(S(=O)(=O)NCc2cc(-c3cccnc3)nn2C)cn1C 253470972 AIBHCXIKMOYSRM-UHFFFAOYSA-N 346.416 1.003 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCOC[C@H](Cc2ccncn2)C1 257252827 JWFZRSYOHXFGAO-OAHLLOKOSA-N 344.415 1.732 0 40 EDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)Cc1c(C)nc2ccccn12 257266968 MFJBFTOSOQVEBY-HNNXBMFYSA-N 339.399 1.817 0 40 EDAB O=C(CC1CC1)N1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1 257288602 PUWSXUXSOHYYMJ-SFHVURJKSA-N 328.416 1.717 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 253491236 LRWBBSVTPNHBSN-ZDUSSCGKSA-N 328.459 1.508 0 40 EDAB C[C@]1(O)CN(C(=O)c2cccnc2O)CC[C@@H]1Oc1cccc(F)c1 257296270 RCAITQLAAVLXMJ-YJBOKZPZSA-N 346.358 1.971 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(C(=O)c2cc(C3CCCCC3)no2)C1 257314851 UYUCOZIEPIPVCY-AWEZNQCLSA-N 348.447 1.472 0 40 EDAB COc1ccccc1CN1CCN(C(C)=O)C[C@H](C(=O)N(C)C)C1 257225094 FETXEZNXDUOIPJ-MRXNPFEDSA-N 333.432 1.064 0 40 EDAB COc1ncc(CN2CCC[C@@H]2c2cc(N(C)C)nc(C)n2)cn1 257254816 KEUMSTOJIVJUAG-OAHLLOKOSA-N 328.420 1.987 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1ccncn1 257201392 AHMYVQKJJOIRCI-KRWDZBQOSA-N 345.378 1.114 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257300776 RVQLVEOWWLDSEN-CYBMUJFWSA-N 335.433 1.143 0 40 EDAB CCCN1CCN(C(=O)c2cncc([C@H]3CCCN(C)C3)n2)CC1 257223189 DWHOJEFZJQHDGT-HNNXBMFYSA-N 331.464 1.454 0 40 EDAB CO[C@@H]1CC[C@@H](NC(=O)c2ccc(OCCN3CCCC3)cc2)[C@H]1O 257266981 MFKAGTWJLVJVSQ-KZNAEPCWSA-N 348.443 1.429 0 40 EDAB COc1cc(CCNS(=O)(=O)CCO[C@H]2CCOC2)ccc1C 1616033670 AJPUWVHDDIBTNU-HNNXBMFYSA-N 343.445 1.271 0 40 EDAB CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCc1ccnn1C 1615586580 CGUVMNVJCCYRJP-GJZGRUSLSA-N 338.452 1.577 0 40 EDAB COc1cc(F)cc(F)c1S(=O)(=O)N1C[C@@H]2CCC[C@@]2(N)C1 1615621995 YMVPPEQKQPCOKS-LKFCYVNXSA-N 332.372 1.475 0 40 EDAB CNS(=O)(=O)c1cccc(NC(=O)NC2(COC)CCC2)c1 390835658 UHFLUOCTVKQEGJ-UHFFFAOYSA-N 327.406 1.285 0 40 EDAB CC(C)NC(=O)[C@H]1COC2(CN(C(=O)C3CCC3)C2)CN1CC1CC1 575405921 UYTHBIAPLUTOSN-MRXNPFEDSA-N 349.475 1.003 0 40 EDAB CO[C@](C)(CS(=O)(=O)N[C@@H](C)[C@@H](CO)SC)c1ccccc1 585142004 LMGYFNYQSRTIRQ-NWANDNLSSA-N 347.502 1.580 0 40 EDAB CC(C)Oc1cncc(S(=O)(=O)NCC[C@@]2(O)CCCOC2)c1 585123420 UJDNMHXLBUBLAB-HNNXBMFYSA-N 344.433 1.079 0 40 EDAB Cn1cc(/C=C/C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 585289947 NOIPRDPDVOGXBM-LDZGNZEFSA-N 341.411 1.911 0 40 EDAB Cc1noc(C)c1CN1Cc2ccnn2CC[C@H]1CN1CCOCC1 585096823 DBOPVPDFYNCSOE-INIZCTEOSA-N 345.447 1.595 0 40 EDAB CCc1nccn1CC(=O)N1CC[C@](O)(COc2ccccc2C)C1 585275644 FMKWYFAVYNYUQO-LJQANCHMSA-N 343.427 1.796 0 40 EDAB Cc1csc(=O)n1CC(=O)N1CCOc2c(F)cc(F)cc21 585141530 WSFTWRMBWYLYFY-UHFFFAOYSA-N 326.324 1.922 0 40 EDAB NC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)c1ccccc1)c1ccccc1 54704525 XBTVGUKAADGLNW-HOCLYGCPSA-N 340.383 1.129 0 40 EDAB CCN(C(=O)[C@@H](C)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 52770971 VDGANVPOAPIUDS-BXUZGUMPSA-N 328.409 1.662 0 40 EDAB O=C([C@H]1CCCN(c2ncnc3cccc(F)c23)C1)N1CCOCC1 54056305 YMCPKUDUSVCDNB-ZDUSSCGKSA-N 344.390 1.844 0 40 EDAB CCCS(=O)(=O)N1CCCN(c2cc(C(=O)OC)ccn2)CC1 57012286 XWNFXOZRIFUHIS-UHFFFAOYSA-N 341.433 1.120 0 40 EDAB CN(C1CCN(C(=O)c2n[nH]c3ccccc23)CC1)S(C)(=O)=O 60126824 ZBKXDQTWERULPI-UHFFFAOYSA-N 336.417 1.059 0 40 EDAB COCc1nccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)n1 893020805 QDIOMVYAQFWDSU-UHFFFAOYSA-N 338.415 1.822 0 40 EDAB C[C@H](C1CC1)N(C(=O)Cn1c(-c2cnccn2)noc1=O)C1CC1 96402811 UMUJFPMXXKMTLZ-SNVBAGLBSA-N 329.360 1.083 0 40 EDAB Cc1[nH]ncc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 89544391 PICQPLQYARJCFC-DLBZAZTESA-N 326.400 1.444 0 40 EDAB Cn1ncc(CCC(=O)NC[C@@H](CO)Cc2ccccc2Cl)n1 1615044224 DBWLVDHHZMPAQA-LBPRGKRZSA-N 336.823 1.369 0 40 EDAB CCc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 5154930 GFBNDGXVMMMWGY-UHFFFAOYSA-N 347.396 1.834 0 40 EDAB O=C(COC(=O)c1ccccc1NCCO)NCc1ccccc1 5279174 BTWPKWZVOWQHAI-UHFFFAOYSA-N 328.368 1.564 0 40 EDAB Cc1nn(CC(=O)N2CCC[C@@H](C)C2)c(=O)c2cc3occc3n12 12115423 QRACXSXVRRFXHT-LLVKDONJSA-N 328.372 1.809 0 40 EDAB CNC(=O)Cc1noc(-c2nc(C)n(-c3ccc(Cl)cc3)n2)n1 163170404 VXXPIVWBBQKWJS-UHFFFAOYSA-N 332.751 1.568 0 40 EDAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)C(=O)NC1CCCC1 1888922018 DYJLSGKIKGBSRD-INIZCTEOSA-N 342.399 1.081 0 40 EDAB NC(=O)c1cc(OC2CN(c3nc4cnccc4s3)C2)ccn1 1889180495 OUFUQNOTWLJJAY-UHFFFAOYSA-N 327.369 1.453 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2)nc1C 33212296 YKQIMLFRNHSZTE-CQSZACIVSA-N 327.388 1.316 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776007793 FPSQPPQDDDYCEE-LLVKDONJSA-N 343.305 1.455 0 40 EDAB CCn1ccc(C(=O)N2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)n1 2037985137 YPNJNISCJVKYIO-QGZVFWFLSA-N 334.420 1.003 0 40 EDAB CCOc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OCC 4504521 AZWFFKCUVJXBHN-ZDUSSCGKSA-N 341.429 1.743 0 40 EDAB CC(=O)Nc1ccc(SCCCC(=O)NC[C@H]2CCCO2)nn1 11793277 CLGHBGIORPMLQT-GFCCVEGCSA-N 338.433 1.603 0 40 EDAB O=C(NCCc1ccccn1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)C2CC2)C1 2055745679 TYPZAYNYYFYAGU-USXIJHARSA-N 343.427 1.156 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(Cc2nnc(C(F)(F)F)o2)CC1 2086865457 YLEHYHOBKWPNMA-JTQLQIEISA-N 349.357 1.119 0 40 EDAB Cn1cnc2c(N3C[C@@H]4CN(c5ncccc5F)C[C@H]4C3)ncnc21 2086865386 SGNCHWKZTYNOPJ-RYUDHWBXSA-N 339.378 1.470 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)Nc1ccccc1Cl)Cc1ccco1 206621120 CNYVOVPNTVSPHJ-INIZCTEOSA-N 336.775 1.981 0 40 EDAB O=C(NCCc1ccccc1)C(=O)NCC[C@H](O)c1cccs1 77115336 OXIKRXVKHIXVGY-AWEZNQCLSA-N 332.425 1.647 0 40 EDAB O=C(CNC(=O)NCc1ccco1)N[C@H]1CCC[C@H]1n1ccnc1 96411792 ABPJTVKSSQPDOC-UONOGXRCSA-N 331.376 1.185 0 40 EDAB Cn1c(COC(=O)c2cc3c(s2)CCCCC3)cc(=O)n(C)c1=O 10498044 NTDOAVSCQQIUTR-UHFFFAOYSA-N 348.424 1.771 0 40 EDAB C[C@H](NC(=O)c1nccnc1N)c1ccc(NC(=O)C2CC2)cc1 31399712 HREFYPXOAAGTEJ-JTQLQIEISA-N 325.372 1.898 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cncc(Br)c1 40497121 ONBDWSUKSXBUTM-MRVPVSSYSA-N 333.207 1.009 0 40 EDAB CCOc1ncccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 40548589 BBRSWFLVCNNOCK-NSHDSACASA-N 327.406 1.090 0 40 EDAB CSCC[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1nc2ccccc2[nH]1 32301697 CGFAJUVEMJTJSF-FZMZJTMJSA-N 346.456 1.952 0 40 EDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nnc(C2CC2)s1 102299119 RVVJPJGZJJOPLE-QWRGUYRKSA-N 348.428 1.919 0 40 EDAB CCOC(=O)[C@H](C)NC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 102309697 MOTDZRLAYRCFNR-VIFPVBQESA-N 349.412 1.387 0 40 EDAB COc1cccc(CN(C)C(=O)CN2CCc3cncnc3C2)c1 69773737 GWEKXZBOEKMKJZ-UHFFFAOYSA-N 326.400 1.502 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 76046045 VQKNPRIUQBNVDR-CQSZACIVSA-N 329.404 1.685 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN([C@@H](C)C(=O)Nc3ncccn3)CCO2)n1 78893181 IDKHJXDIZJVOQM-RYUDHWBXSA-N 345.407 1.119 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(c3nc(C)ns3)CC2)on1 78970425 JJKOQGGUYGPRFA-SNVBAGLBSA-N 336.421 1.292 0 40 EDAB CC[C@H](CCO)CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 79074355 IETQRZFUHPXBLH-NVXWUHKLSA-N 332.444 1.868 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(C)ccn2)c1=O 21893263 AQHFFDKXAJBHDY-UHFFFAOYSA-N 338.367 1.525 0 40 EDAB CC(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 3448268 LSDGOXFITZBXSX-UHFFFAOYSA-N 339.413 1.915 0 40 EDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@@H]1Cc1cccc(F)c1 53076389 FWBCQROTRRFSNN-OAHLLOKOSA-N 342.436 1.123 0 40 EDAB C[C@H](OC(=O)CCn1c(=O)oc2ccccc21)C(=O)NC1CCCC1 7621963 AKXGXFSSRLQRAG-LBPRGKRZSA-N 346.383 1.975 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)c1ccc2c(c1)NC(=O)CCS2 46889107 LXXSSTQFPZLVFT-LBPRGKRZSA-N 349.456 1.571 0 40 EDAB CCc1nn2c(=O)cc(CN3CCC[C@H]3c3cnn(C)c3)nc2s1 71799324 KGLQURIYWVTMAP-ZDUSSCGKSA-N 344.444 1.784 0 40 EDAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccccn1 807390 IMAJKXMQWOZEPZ-UHFFFAOYSA-N 325.368 1.587 0 40 EDAB CCOc1ccc(NC(=O)CN2CCNC(=O)CC2)cc1OCC 54257994 LWCKLWLHPKJRJX-UHFFFAOYSA-N 335.404 1.244 0 40 EDAB O=C(Cn1ccccc1=O)NCCNc1nc2ccccc2s1 47476284 FIWRDGSDSDMXLT-UHFFFAOYSA-N 328.397 1.686 0 40 EDAB Cc1cc(C(=O)CN2CCN(S(C)(=O)=O)CC2)c(C)n1C1CC1 24509742 QJUTXNIOAQNHPG-UHFFFAOYSA-N 339.461 1.200 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)COc1ccc(F)cc1 24676869 NHENAYFLQXCAOO-CYBMUJFWSA-N 344.408 1.135 0 40 EDAB NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 12558147 ZXZUYRJOTMYHQM-UHFFFAOYSA-N 326.381 1.417 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCCN(c2ccccn2)C1 97197718 IKKDDBSQVJQZTN-LSDHHAIUSA-N 325.416 1.626 0 40 EDAB CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N[C@@H](C)CC)C1=O 24928421 GRJQVZCLEHIFGY-NSHDSACASA-N 347.371 1.295 0 40 EDAB CC[C@H](C)[C@@H](C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O)c1ccccc1 106914546 ZFHXJNOYDTUQIG-WRSAYESZSA-N 329.400 1.627 0 40 EDAB Cc1ccc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)s1 56059011 ICJNHGTWARVFHJ-UHFFFAOYSA-N 338.458 1.794 0 40 EDAB CCc1noc([C@H](C)N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1 107354924 ANNRLFJMHUXLJJ-YCPHGPKFSA-N 349.479 1.568 0 40 EDAB CC(C)(O)[C@H]1CCCN1C(=O)NCC[S@@](=O)Cc1ccccc1 97114613 VEXXODJRYIMNTI-CMJOXMDJSA-N 338.473 1.880 0 40 EDAB O=C(Cc1cccnc1)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO 108143370 VJWNGDKZFCQHHE-MOPGFXCFSA-N 339.439 1.623 0 40 EDAB COc1ccc(OCC(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 3286083 CMFJNROKUNJHLO-STQMWFEESA-N 337.372 1.253 0 40 EDAB Brc1cnc(NC[C@H]2CN3CCCC[C@H]3CO2)nc1 108363773 FYRLJOISMFBXKM-RYUDHWBXSA-N 327.226 1.904 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 26735820 KNFXXWBTKWCEHL-UHFFFAOYSA-N 336.436 1.659 0 40 EDAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCCN1CCOCC1 27773325 KCMIJCZZFUTKAX-UHFFFAOYSA-N 348.378 1.257 0 40 EDAB O=C(c1ccsc1)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 72307139 WZUDCIDAJROLMK-AWEZNQCLSA-N 336.438 1.973 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)C1=Cc2cc(Cl)ccc2OC1 44889197 BQNBPLQHAVQTDG-LBPRGKRZSA-N 327.789 1.419 0 40 EDAB COc1ccc2c(c1)CCCN2S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 48290968 IAUITXGOADBOJI-STQMWFEESA-N 340.445 1.802 0 40 EDAB Cc1cc(NC(=O)CCN2Cc3ccccc3C[C@H]2C(N)=O)no1 48288994 NOTBKTUIPJLCCP-AWEZNQCLSA-N 328.372 1.224 0 40 EDAB O=C(NCCN1CCCCCC1)NCc1ccc(-n2cncn2)nc1 44968734 DYDHXBILZSLGHB-UHFFFAOYSA-N 343.435 1.338 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCNc3ncccn3)CC2=O)cc1 44917744 TVWJEVAKVYYGOV-CQSZACIVSA-N 339.399 1.366 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)Cn3cccn3)ccc21 44935948 QWEYNGRZTZFZLL-GFCCVEGCSA-N 348.428 1.159 0 40 EDAB COc1ccccc1CCNS(=O)(=O)c1ncn(C)c1Cl 27953613 CRLUZYMEANNLIZ-UHFFFAOYSA-N 329.809 1.603 0 40 EDAB COCCN1C[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2)CC1=O 45315149 IBGBGJXCCOOXHM-ZDUSSCGKSA-N 332.404 1.115 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(Cc2ccncc2)CC1 28694214 GDSFQIKZKHKBAD-UHFFFAOYSA-N 327.432 1.319 0 40 EDAB CCCn1nc(C(=O)N(C)Cc2nc3ccccc3[nH]2)ccc1=O 29328529 NJDGIFJMDYVSOK-UHFFFAOYSA-N 325.372 1.802 0 40 EDAB CN(CC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(F)cc1F 46061028 PFKTVTLJPNXGDW-CQSZACIVSA-N 325.359 1.182 0 40 EDAB O=c1n(CCSc2nnnn2C2CCCC2)nc2ccccn12 12978605 WWWGNJZQLPOCSL-UHFFFAOYSA-N 331.405 1.390 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 69972798 KIPLNDXCYRZONI-INIZCTEOSA-N 334.416 1.580 0 40 EDAB C[C@@H](O)CN1CCN(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 69921991 TUEQMTCWHNWUDR-IUODEOHRSA-N 348.365 1.617 0 40 EDAB CCOc1ccc(NC(=O)NCCCN(C)S(C)(=O)=O)cc1C 64546628 RJXQDGRZRRQJSH-UHFFFAOYSA-N 343.449 1.797 0 40 EDAB CCN1CCC[C@@H](CNS(=O)(=O)c2ccc(C)c(C(N)=O)c2)C1 65499436 OUEFBXFTWWIPHJ-ZDUSSCGKSA-N 339.461 1.104 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)NCc3cc[nH]n3)cn2)C[C@H](C)O1 65405136 JLVLEUMEJADCLJ-RYUDHWBXSA-N 330.392 1.740 0 40 EDAB C[C@H]1CN(C(=O)CSc2nnc(-c3cccnc3)n2C)C[C@@H](C)O1 14093956 ZNVBVOZBTDQHEU-TXEJJXNPSA-N 347.444 1.605 0 40 EDAB O=C(CN1CCC[C@@H](n2ccnc2)C1)NCc1ccc2c(c1)OCO2 65562461 PAUICIIZNPCPGS-OAHLLOKOSA-N 342.399 1.565 0 40 EDAB CN1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)N(C)C1=S 111673356 ANPCKLLYESAQKJ-QPEQYQDCSA-N 329.381 1.756 0 40 EDAB Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c1 65623369 MPQQFTXJHOQIMH-ZDUSSCGKSA-N 349.406 1.836 0 40 EDAB Cc1cc(S(=O)(=O)N2CCOCC2)cc2c1N(C)C(=O)C2(C)C 71195957 SKJOSLMUYINMSI-UHFFFAOYSA-N 338.429 1.270 0 40 EDAB O=S1(=O)C[C@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@@H]2C1 6661746 LSDQQQCPBZFCSX-NXEZZACHSA-N 336.360 1.566 0 40 EDAB Cn1cnc(C(=O)N2CC3(C2)OCC[C@H]3COc2cccnc2)c1 306122990 ABMFQBGKTAGBHC-ZDUSSCGKSA-N 328.372 1.125 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1cccc(F)c1 81473916 KHNBPUGITSPZJM-MAZHCROVSA-N 344.390 1.885 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1 8184277 SQBWJGUREACOQN-QWRGUYRKSA-N 326.418 1.461 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2sccc2Br)C[C@@H](C)N1 70076823 MSIHTURKEDWQCH-OCAPTIKFSA-N 339.280 1.882 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC1 70040904 VVCFDAWHTMLURX-CYBMUJFWSA-N 348.834 1.664 0 40 EDAB Cc1cc(C)c(CNC(=O)c2ccccc2N2CCOCC2)c(=O)[nH]1 69413901 GDRWRRXZUXXQPS-UHFFFAOYSA-N 341.411 1.758 0 40 EDAB COC(=O)CCNC(=O)c1nnn(-c2ccccc2)c1C(F)(F)F 69451967 PJNLCGOFTRFUGV-UHFFFAOYSA-N 342.277 1.579 0 40 EDAB C[C@@H]1CN(c2ncnc3c2CCC3)CCN1c1ccc2nncn2n1 69459602 DZCGJRDMADCFTJ-GFCCVEGCSA-N 336.403 1.118 0 40 EDAB Cc1cnn(C[C@H](C)NCc2nnnn2-c2c(C)cccc2C)c1 69582897 VOYCDRFINIMEPU-HNNXBMFYSA-N 325.420 1.962 0 40 EDAB CCNC(=O)CN1CCN(C(=O)/C=C(\C)c2ccccc2OC)CC1 96257460 KTWHZSZKLHUVCE-FYWRMAATSA-N 345.443 1.379 0 40 EDAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCC[C@H](n2ccnc2)C1 69662385 BZRYJGLSSBLGLP-HOTGVXAUSA-N 340.431 1.753 0 40 EDAB O=C(Nc1ccc(-n2cnnn2)cc1)N1CCC(n2cncn2)CC1 71853937 XPXYGUFAEMQROQ-UHFFFAOYSA-N 339.363 1.123 0 40 EDAB CNc1cc2c(nn1)CCN(C(=O)[C@@H]1Oc3ccccc3O[C@H]1C)C2 71860139 JSVSCQFATFRHGZ-APPDUMDISA-N 340.383 1.632 0 40 EDAB Cc1sc(Br)cc1S(=O)(=O)N1CCNC[C@@H]1C 94870900 HDNMVIQPVZRXAX-ZETCQYMHSA-N 339.280 1.801 0 40 EDAB CN(C)CCN(Cc1cccs1)C(=O)c1ccc2nncn2c1 83851095 LCYKYGBBGDHVIN-UHFFFAOYSA-N 329.429 1.995 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)COc2ccc(-c3nnco3)cc2)C1 71933606 GPKUMLJXFZYCKF-CQSZACIVSA-N 344.371 1.243 0 40 EDAB Cc1ccsc1-c1cc(NC(=O)CN2CCC(=O)NC2=O)[nH]n1 95395255 MOYNDGMOELITHK-UHFFFAOYSA-N 333.373 1.327 0 40 EDAB CNc1ncnc2ncn(C[C@@H](O)CN3CCc4ccccc4C3)c12 72286634 ZDFJZSNNBDVFGV-HNNXBMFYSA-N 338.415 1.287 0 40 EDAB CN(Cc1cccs1)C(=O)CNC[C@@H]1CCCN1c1cccnn1 72267405 YCSQKKOPIOEVEZ-AWEZNQCLSA-N 345.472 1.755 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC[C@H](n2cccn2)C1 72283089 SLORXEOWIBKWDA-NSHDSACASA-N 327.344 1.498 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1csc(CC(=O)N(C)C)n1)CC2 72267461 BSRQGRWWGPFENA-NSHDSACASA-N 348.476 1.032 0 40 EDAB C[C@H](Cc1cccs1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 72295590 NMGFFHMEAIRIAS-LLVKDONJSA-N 338.454 1.891 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)no1 72299040 UYAXJSUYRNLSKJ-TZMCWYRMSA-N 344.371 1.683 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)NCc1cccc(-c2nc[nH]n2)c1 72286042 MYWZVOTVXRQWRK-LLVKDONJSA-N 336.417 1.301 0 40 EDAB CC[C@H]1CN(C(=O)CCCn2ccnc2C)C[C@@H]1N1CCOCC1 84735804 AMVASXUAGQUWSM-IRXDYDNUSA-N 334.464 1.541 0 40 EDAB O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1[nH]nc2c1CCC2 95477480 OPHWBTUDIJPPIY-UHFFFAOYSA-N 337.376 1.241 0 40 EDAB C[C@@H](CNC(=O)NCc1ccc(C(=O)NC2CC2)cc1)N(C)C1CC1 95948549 SDCBYGIOWMOZKX-ZDUSSCGKSA-N 344.459 1.861 0 40 EDAB COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H](C)NS(C)(=O)=O)C2)cc1 95960687 YCKDYGAVUOHPSO-YRGRVCCFSA-N 340.445 1.337 0 40 EDAB CCc1ncc(NC(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)cn1 95981907 LPMSRZHMNGFLDF-UHFFFAOYSA-N 344.419 1.994 0 40 EDAB Fc1cccc(CN(C[C@@H]2CCCO2)c2ccc3nnnn3n2)c1 95974215 VMNGTYSIOJJKLB-AWEZNQCLSA-N 328.351 1.844 0 40 EDAB Cc1nc(C2(NC(=O)c3ccnc(-n4cncn4)c3)CCC2)no1 95954706 XXTLITVXNWWKBS-UHFFFAOYSA-N 325.332 1.163 0 40 EDAB Cc1ccc2c(O)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cnc2n1 75117776 AMLVCSUNHHPODB-UHFFFAOYSA-N 338.367 1.879 0 40 EDAB Cc1cccn2cc(CNC(=O)c3cccc(-n4cnnn4)c3)nc12 75136689 ADXWMZNFFXGZGJ-UHFFFAOYSA-N 333.355 1.548 0 40 EDAB Cc1cccc(/C=C/C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)c1 89668980 QEODKFVWTWEMCM-WAVCKPEOSA-N 338.411 1.972 0 40 EDAB O=S(=O)(NC[C@@H](CO)Cc1ccccc1)c1ccc(Cl)nc1 89830150 NCVHLHWPZSJVPU-ZDUSSCGKSA-N 340.832 1.865 0 40 EDAB O=C1NC[C@@H](C(=O)NCc2ccc(COc3ccccc3)cc2)N1 89845799 JOOQKIPSFHIACE-INIZCTEOSA-N 325.368 1.563 0 40 EDAB C[C@H](NC(=O)COCC(F)(F)F)c1ccc2c(c1)NC(=O)CO2 89905097 OMQIFQXLTJUDHY-QMMMGPOBSA-N 332.278 1.774 0 40 EDAB Cc1sc2ncnc(N3CCC[C@@H](NS(C)(=O)=O)C3)c2c1C 75676672 QKJSNCDTSCLOFT-LLVKDONJSA-N 340.474 1.826 0 40 EDAB NC(=O)CN1CCC(Cc2cnc(Nc3ccccn3)cn2)CC1 72363510 PPGKGFUKIKCSLE-UHFFFAOYSA-N 326.404 1.355 0 40 EDAB O=C1C[C@@]2(CCN(C(=O)c3ccc4nc(C(F)F)[nH]c4c3)C2)CN1 556083442 ILSVYVFYWCGMBO-INIZCTEOSA-N 334.326 1.853 0 40 EDAB Cc1cc(CNc2cc([C@H]3CCN3S(C)(=O)=O)nc(C)n2)on1 72387100 VLYCJHCPFWWTLK-CYBMUJFWSA-N 337.405 1.400 0 40 EDAB C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCCC1 71334126 HSEJSSXAQXYUAZ-CQSZACIVSA-N 348.422 1.668 0 40 EDAB NCC1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 218449231 RHVLHVIVOKPUKP-JKSUJKDBSA-N 334.416 1.669 0 40 EDAB Cc1ncc2c(n1)CC[C@@H](NS(=O)(=O)c1cccc(C(=O)O)c1)C2 557782628 PAVDOJLGAZUJJL-CYBMUJFWSA-N 347.396 1.319 0 40 EDAB Cc1nn(CCC(=O)NCC2(N(C)C)CCN(C)CC2)c(C)c1C 36740678 FGYLGARGVXTDAY-UHFFFAOYSA-N 335.496 1.341 0 40 EDAB COC(=O)CC1CCN(C(=O)c2ccc(-n3nnnc3C)cc2)CC1 71288016 ZZRPATPOVLXPSA-UHFFFAOYSA-N 343.387 1.386 0 40 EDAB Cc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CO)C3)n2)n1 72360066 NURMNWFRXIHVBA-AWEZNQCLSA-N 341.415 1.930 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCC(C)C 217529149 GEIAEFJLRUHBCT-NSHDSACASA-N 344.433 1.766 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC(Cc3cccnn3)CC2)CC1 72367477 DHKFRZFESRILGE-UHFFFAOYSA-N 332.448 1.105 0 40 EDAB C[C@@H](NC(=O)c1nccnc1C(=O)O)c1nc(-c2ccccc2)no1 72401372 ODHRVTXWILQLGE-SECBINFHSA-N 339.311 1.716 0 40 EDAB COc1ccc2nnc(CCC(=O)N3CCc4ccccc4C3)n2n1 71284347 HMOBYEINEFUWKN-UHFFFAOYSA-N 337.383 1.650 0 40 EDAB O=C(Nc1cc(Cl)ccc1O)C(=O)N[C@H](CO)Cc1ccccc1 40287565 LQJJRWNHFRBDAT-ZDUSSCGKSA-N 348.786 1.704 0 40 EDAB C[C@H](CS(C)(=O)=O)NC(=O)c1c[nH]nc1-c1cccc(Cl)c1 87357916 KQAOFBCWPRIPLY-SECBINFHSA-N 341.820 1.893 0 40 EDAB Cc1ccc(C(=O)NCCn2nc(-n3ccnc3)ccc2=O)cc1C 75163011 HBUIQZDWNXURTB-UHFFFAOYSA-N 337.383 1.476 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)Nc1cnc(N2CCOCC2)nc1 224249958 RWXGTVYBKUYLCV-CYBMUJFWSA-N 328.372 1.719 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(C2CC2)s1 49622827 LTHACPZSULZMJW-JTQLQIEISA-N 344.462 1.558 0 40 EDAB CS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)CC1 573284874 NHGBPCUIFKNBMI-QWRGUYRKSA-N 342.383 1.936 0 40 EDAB CCc1nnc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)s1 96345578 UNPKEZNJTFXION-UHFFFAOYSA-N 333.417 1.565 0 40 EDAB CCS(=O)(=O)NCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 96414954 CLWIWSCLRWBKBX-AWEZNQCLSA-N 342.436 1.660 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2CCN2CCCC2=O)cc1 583615511 AWFFZPPMFRALHN-HKUYNNGSSA-N 332.444 1.990 0 40 EDAB COCc1cnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@H]2C 96109633 MXKKXBSHKYDIIV-LBPRGKRZSA-N 343.383 1.904 0 40 EDAB Cc1cc(C(=O)NCC(=O)Nc2nc3ccccc3s2)n(C)n1 96192422 IJGDBWOOJAQTGE-UHFFFAOYSA-N 329.385 1.707 0 40 EDAB CCn1nc(C)c(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1C 96484146 TZHKODHBGXXQJN-AWEZNQCLSA-N 333.436 1.059 0 40 EDAB O=C(c1ccco1)N1C[C@H]2CCCN(C(=O)c3ccnnc3)[C@H]2C1 96246256 PSFDVGVJIFFXRV-KGLIPLIRSA-N 326.356 1.446 0 40 EDAB Cc1nnc(N2C[C@H]3OC[C@H](C(=O)NCc4ccco4)[C@H]3C2)s1 96216173 ABWMTCIUHONURZ-FRRDWIJNSA-N 334.401 1.207 0 40 EDAB c1ccc(OCc2nnc3n2CCN(CC2CCOCC2)C3)nc1 96259035 SHERJYUDPMVTAT-UHFFFAOYSA-N 329.404 1.494 0 40 EDAB Cn1cc(N2CC[C@@]3(CCN(C(=O)c4ccc(F)cc4)C3)C2=O)cn1 96159559 MIMQVOYRLKCNRI-GOSISDBHSA-N 342.374 1.828 0 40 EDAB CCOCC1CCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 96427222 IUOARCZSELOTBZ-UHFFFAOYSA-N 346.475 1.479 0 40 EDAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NC4CCCC4)O[C@H]3C2)nn1 96043231 CBUCNZPTDZWLMJ-IMJJTQAJSA-N 330.432 1.828 0 40 EDAB O=C(NC[C@@H]1Cn2nnc(-c3ccccc3)c2CO1)c1cscn1 96069421 CQBCVDSCZPBOID-GFCCVEGCSA-N 341.396 1.730 0 40 EDAB Cn1cncc1CN1CC[C@H]2OCCN(CCN3CCCC3)[C@@H]2CC1 96249352 HARWFUYIDBABLF-RTBURBONSA-N 347.507 1.181 0 40 EDAB CCN(CC)C[C@@H]1CN(C(=O)Cc2ccccn2)Cc2nccn2C1 96188287 QLWIABBYEYOZPF-INIZCTEOSA-N 341.459 1.821 0 40 EDAB COc1cc(N2C[C@@H]3C[C@@H](CC(=O)N4CCCCO4)O[C@@H]3C2)ncn1 96216632 IUZKGHBUPZZFGH-MELADBBJSA-N 348.403 1.023 0 40 EDAB Cn1nccc1[C@H](NC(=O)[C@@H]1CCOc2c(F)cccc21)C(=O)O 1601032727 HIQUWJKWJBWBOY-MFKMUULPSA-N 333.319 1.367 0 40 EDAB O=C([C@H]1CN(Cc2ccccn2)CC12CCOCC2)N1CCOCC1 96052221 WWJGWNDGNXWYMA-QGZVFWFLSA-N 345.443 1.169 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230813 ZJHQRZLSQPLXSE-APNQJHFZSA-N 334.347 1.023 0 40 EDAB CCCCCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O 243443711 NDGSWCXWWFTWAD-UHFFFAOYSA-N 326.462 1.797 0 40 EDAB C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)nc1Cl)C(N)=O 585139914 APFSOSUCPWVEIG-GSVOUGTGSA-N 332.596 1.194 0 40 EDAB Cc1nc(C)c(C)c(N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)n1 585132787 VZXVYDSDYFYLJO-HNNXBMFYSA-N 338.477 1.101 0 40 EDAB CCn1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)CN(C)C)cn1 585115215 RLPSXQZDWPVMTG-DZGCQCFKSA-N 328.482 1.644 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)Cc1c(C)noc1C 257344499 ZXPKRBOEBMFLCK-HNNXBMFYSA-N 344.415 1.793 0 40 EDAB COCCOc1cccc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)c1 585130606 WCXJEEMBDZNXST-YOEHRIQHSA-N 335.448 1.076 0 40 EDAB O=S(=O)(c1ccccc1Cl)N1CCC(n2nccn2)CC1 253472436 MFKFXLXSCKENNR-UHFFFAOYSA-N 326.809 1.957 0 40 EDAB CN(C)c1nccnc1[C@H]1CN(C(=O)CCc2cccnc2)CCO1 257316893 VHLXRUKDQQUIKF-OAHLLOKOSA-N 341.415 1.470 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)CCc2cccnc2)CCO1 257271018 MWMQNTXSNGSDKC-CQSZACIVSA-N 327.388 1.446 0 40 EDAB O=C(CCc1cccnc1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257343729 ZUDUYTBKWWKBSF-IAGOWNOFSA-N 330.359 1.804 0 40 EDAB CC(=O)NCC(=O)N(c1ccc(F)cc1)[C@H]1COC2(CCNCC2)C1 257322619 WGRYFZXDMOLAMZ-MRXNPFEDSA-N 349.406 1.206 0 40 EDAB O=C(c1cccc2cccnc12)N1CC[C@](O)(CN2CCCC2)C1 257331221 XRWPIMMFBFTXGK-IBGZPJMESA-N 325.412 1.908 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cncc(Cc2ccc(F)cc2)c1 257247194 IXWBBUYNJFFKOL-MRXNPFEDSA-N 348.399 1.728 0 40 EDAB Cn1nccc1-c1cnc(CC2CCN(S(C)(=O)=O)CC2)cn1 257234362 GTFGGEIXFQLHJG-UHFFFAOYSA-N 335.433 1.091 0 40 EDAB Cc1n[nH]cc1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 257331543 XTIBHGOMLNYQIK-LBPRGKRZSA-N 335.433 1.389 0 40 EDAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(CC2CC2)C3)n1 253478578 LVJYTZGPMFZTOL-AWEZNQCLSA-N 337.445 1.063 0 40 EDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(C(=O)O)nc1 1604102862 RPCYQPPBUQCSCB-UHFFFAOYSA-N 331.303 1.630 0 40 EDAB CN(C)c1nccc2c1CN(C(=O)[C@H]1CC13CCC(N)CC3)CC2 1615545037 DCRBQUUUUSNLIK-NLGTXKQRSA-N 328.460 1.940 0 40 EDAB CC[C@H](NC(=O)c1cnc2cc(OC)ccc2c1)[C@@H](O)C(=O)OC 1615551293 XIJLRNUJKMBEAY-DZGCQCFKSA-N 332.356 1.286 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)NCc1cccc(CO)c1 1615614907 MMKNQLMYMNEOOZ-IBGZPJMESA-N 326.396 1.604 0 40 EDAB O=C(NC[C@@H]1OCCc2sc(F)cc21)c1cn(CC2CC2)nn1 1615626089 NJMPZXMGQVUHPF-LBPRGKRZSA-N 336.392 1.933 0 40 EDAB CC(C)NC(=O)CN[C@H]1CCO[C@@]12CCN(C(=O)OC(C)(C)C)C2 1616036071 MBXCGHACBSARRS-SUMWQHHRSA-N 341.452 1.269 0 40 EDAB O=C([C@H]1CCCN1C(=O)C1CC1)N1CCCn2ncc(C3CC3)c21 1616043723 CSBGWDPSQTZHHY-OAHLLOKOSA-N 328.416 1.898 0 40 EDAB CC(C)c1nc(CCNS(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)n(C)n1 1616002402 AVXYQAHBXPDSKL-CABCVRRESA-N 348.472 1.957 0 40 EDAB CCc1nnc2n1CCN(c1nccc(N[C@H]3CCCOC3)n1)C2 1616025169 NYCLXRUQKJTCBJ-LBPRGKRZSA-N 329.408 1.242 0 40 EDAB CCN1CCC[C@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1 298131334 HORVRAYTLFDCPX-HNNXBMFYSA-N 337.851 1.599 0 40 EDAB CCOCc1nnc2n1CCN(Cc1cccnc1OC)[C@H](C)C2 585098500 UGVVAUOKUVLWHX-CYBMUJFWSA-N 331.420 1.665 0 40 EDAB CO[C@]1(CC(N)=O)COCCN(C(=O)c2ccc3oc(C)cc3c2)C1 585280094 AFLKCMYOXLIHFB-SFHVURJKSA-N 346.383 1.474 0 40 EDAB COc1cccc(O[C@H]2CCN(C(=O)/C=C/CN(C)C)CC[C@@H]2O)c1 585289567 KCEIYHKXFNLDOF-ZGCXVMDJSA-N 348.443 1.544 0 40 EDAB Cc1nc(C)n(CCN[C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)n1 585290488 WXNNKTRDGNBOMP-RCCFBDPRSA-N 348.422 1.985 0 40 EDAB COc1cccc(CCNC(=O)N2CCC(CC(N)=O)CC2)c1OC 56423301 GSXAFNORTBTEFU-UHFFFAOYSA-N 349.431 1.543 0 40 EDAB O=C(CCCn1c(=O)oc2ccccc21)N1CCN(C2CC2)CC1 62639973 DAQCPUIKKQOFPR-UHFFFAOYSA-N 329.400 1.681 0 40 EDAB O=C1CC[C@@H](C(=O)N2CCc3c(Br)cccc3C2)CN1 79334683 MRSWELDFYKEWBS-SNVBAGLBSA-N 337.217 1.860 0 40 EDAB NC(=O)c1cccc(CNS(=O)(=O)c2ccsc2C(=O)O)c1 1608246713 XTJJQKLWEJHOTH-UHFFFAOYSA-N 340.382 1.024 0 40 EDAB O=S(=O)(NCCCF)c1cnc(NCCO)c(C(F)(F)F)c1 1615046241 JSMUMCKKVFBNSA-UHFFFAOYSA-N 345.318 1.143 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@H]1CCS(=O)(=O)NCCO 1615605900 MDWDBEJSHJTIII-LBPRGKRZSA-N 336.454 1.078 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)CN1CC(F)(F)CCC1=O 113243240 NYFSYIFADKELCR-VIFPVBQESA-N 336.335 1.612 0 40 EDAB C/C=C/C=C/C(=O)OCc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C 5109582 DYBWURSJRIGVKT-ICNYKPIKSA-N 346.387 1.399 0 40 EDAB CCC[C@@H](NC(=O)NCC(=O)N1c2ccccc2CC[C@@H]1C)C(=O)O 12865736 VSRODSJJMLGNHP-GXTWGEPZSA-N 347.415 1.907 0 40 EDAB CCN1CCN(C(=O)c2ccc(NS(C)(=O)=O)c(C)c2)CC1 13680557 PPUKMQSYVKJWMY-UHFFFAOYSA-N 325.434 1.144 0 40 EDAB Cc1c(Cl)cccc1N1C(=O)C[C@H](N2CCC(C(N)=O)CC2)C1=O 14607397 RXJMXKWAJWHACU-AWEZNQCLSA-N 349.818 1.478 0 40 EDAB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3cccnc3)ccc21 15822376 NXLYENRTBJOGNW-UHFFFAOYSA-N 345.424 1.814 0 40 EDAB O=C(NCc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc2ccccc2n1 19376315 UVLGMNCWJZAHAD-UHFFFAOYSA-N 349.394 1.848 0 40 EDAB O=C(NCCCN1CCCC1=O)c1cccnc1O[C@@H]1CCSC1 252539184 NVRIZLSVJBLTDQ-CYBMUJFWSA-N 349.456 1.708 0 40 EDAB C[C@]1(c2ccccc2)CN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CCO1 585132108 OJXCZARTTPYTQF-ZHALLVOQSA-N 330.428 1.624 0 40 EDAB Fc1cncnc1N1CCN(c2cc(C3CCOCC3)ncn2)CC1 1888842887 XYXVZHWXCHJVCO-UHFFFAOYSA-N 344.394 1.626 0 40 EDAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)nc21 28426460 SQHCGBFKPGGPJP-VXGBXAGGSA-N 342.399 1.274 0 40 EDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCC3CC3)cc(C3CC3)nc21 29792075 RJIJHUIYHWIEHG-UHFFFAOYSA-N 328.372 1.122 0 40 EDAB Cc1ccc(S(=O)(=O)NCC2(OCCO)CCCC2)cc1C 888107161 UDFHICODISMKIA-UHFFFAOYSA-N 327.446 1.903 0 40 EDAB Fc1cncnc1N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1776008894 RINWHJDRCWBHDU-UHFFFAOYSA-N 328.273 1.751 0 40 EDAB O=C1CC2(CCN(C(=O)C3CC(O)C3)CC2)CN1Cc1cccnc1 1565544444 LCWXQAHNVJZEAZ-UHFFFAOYSA-N 343.427 1.194 0 40 EDAB Cc1cc(CN2C[C@@H](C(=O)NCC(F)(F)F)C[C@H]3OCC[C@H]32)n[nH]1 1565541653 LCQBVUONBLLSCT-CYZMBNFOSA-N 346.353 1.376 0 40 EDAB CCOc1ccc(N(C(=O)COC)[C@@H]2C=CS(=O)(=O)C2)cc1 4165351 ROBPTERLBPGPOV-CYBMUJFWSA-N 325.386 1.375 0 40 EDAB C[C@H](NC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1)c1ccccc1 4941495 UPAPMWIOURNASK-DZGCQCFKSA-N 332.400 1.666 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)Cc2ccco2)cc1F 206621023 QOZDJYSJSABWBE-KRWDZBQOSA-N 334.347 1.776 0 40 EDAB O=C(NCCOCCN1C(=O)CCC1=O)c1cc2ccccc2s1 575619112 GPZLWMAVAJOXPI-UHFFFAOYSA-N 346.408 1.797 0 40 EDAB C[C@](O)(CNS(=O)(=O)CCC(F)(F)F)Cc1ccsc1 618257032 PKJNQNDITVGNNZ-SNVBAGLBSA-N 331.381 1.913 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)c2cccnc2OC)c1 31330013 AEMCFIAHQNJPAX-AWEZNQCLSA-N 332.356 1.571 0 40 EDAB NC(=O)CC1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 40542674 ODJHGAASHNACKV-UHFFFAOYSA-N 343.427 1.470 0 40 EDAB COc1cc(NC(=O)NC[C@@H](O)CN2CCCCC2)cc(OC)c1 40525932 UDLVRCKFYQSNJZ-CQSZACIVSA-N 337.420 1.672 0 40 EDAB CC(C)NC(=O)Nc1ccccc1C(=O)NCCCS(C)(=O)=O 40556338 KSCLSDCGUMRBQJ-UHFFFAOYSA-N 341.433 1.381 0 40 EDAB Cc1nc(C(=O)NC[C@@H](C)N2CCOCC2)nn1-c1ccc(F)cc1 40509848 GCRFTAJEIZLWSU-GFCCVEGCSA-N 347.394 1.165 0 40 EDAB C1=C[C@H]2C[C@H]1C[C@H]2CNCCCN1CCN(c2ncccn2)CC1 101542382 HQVGSQSNTDMNQX-BZSNNMDCSA-N 327.476 1.791 0 40 EDAB CS(=O)(=O)NCCCNC(=O)NC[C@H]1CCCc2ccccc21 41186076 AKJAQXMCXKASLE-CQSZACIVSA-N 339.461 1.345 0 40 EDAB O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(-c2ccc(F)cc2)o1 32819137 ZMLYBWVBYLHKOU-OAHLLOKOSA-N 348.374 1.509 0 40 EDAB COc1ccc([C@@H]2CCCN2c2ccc3nnnn3n2)c(OC)c1 32871870 LENADZVJNDZVHY-ZDUSSCGKSA-N 326.360 1.878 0 40 EDAB O=C([C@H]1COCCO1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 32805561 FWRCYSSPPFAJDV-WMLDXEAASA-N 333.384 1.927 0 40 EDAB COc1cccc(CN2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 29641537 RDTVTAHSFKCZDO-UHFFFAOYSA-N 344.415 1.748 0 40 EDAB CCN1C[C@@H](C(=O)NCCNc2ccc(C(F)(F)F)cn2)CC1=O 46362475 BBNOXRFXQOSLLP-JTQLQIEISA-N 344.337 1.497 0 40 EDAB C[C@H](NC(=O)CNC[C@H]1CN(C)CCO1)c1ccc(Cl)cc1 69873326 QJUZWNOIIQJOLH-WFASDCNBSA-N 325.840 1.437 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2Cn2cccn2)c1 69970100 QCZXMAGZKVIAHF-HNNXBMFYSA-N 347.440 1.982 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)Cc2coc(-c3cccs3)n2)CC1 69900024 ZTHWTBVNHNZMSO-CQSZACIVSA-N 349.456 1.861 0 40 EDAB CCCCc1nc(CN2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)no1 76058850 CBVHWBWQPQFVHP-YVEFUNNKSA-N 349.435 1.565 0 40 EDAB O=C(NCCc1ccccn1)Nc1cc(-n2cnnn2)ccc1F 76517057 KEJILQOSATYAHQ-UHFFFAOYSA-N 327.323 1.561 0 40 EDAB Cc1cc(C)n(-c2ccc(N3CCC(C4OCCO4)CC3)nn2)n1 77960076 XMOUSHOIEMCQJY-UHFFFAOYSA-N 329.404 1.868 0 40 EDAB CC(C)N1CCC[C@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 78497757 UMSGEPOOHHARSC-GFCCVEGCSA-N 329.400 1.420 0 40 EDAB CCOCCO[C@@H](C)C(=O)Nc1cc(C)ccc1NS(C)(=O)=O 78878367 GYDGQILIRCVCSH-LBPRGKRZSA-N 344.433 1.747 0 40 EDAB Cc1cnc(CCNC(=O)Nc2cccnc2-n2cncn2)s1 78936882 TUXAIKSHGCAQLL-UHFFFAOYSA-N 329.389 1.791 0 40 EDAB COc1ccc2nnc(CCCC(=O)Nc3c(C)nn(C)c3C)n2n1 79476158 KFVFHZAZTIHYCY-UHFFFAOYSA-N 343.391 1.445 0 40 EDAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1 84259278 WPYJEIAOWDXQRO-CQSZACIVSA-N 345.403 1.866 0 40 EDAB CC(C)OCCN1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 52710056 UEBSLDFHLJHSHV-IRXDYDNUSA-N 325.497 1.534 0 40 EDAB COC(=O)c1cc(COC(=O)c2nc3nc(C)cc(C)n3n2)oc1C 3448024 PWSDSWKCRMBBJL-UHFFFAOYSA-N 344.327 1.786 0 40 EDAB Cc1cc(C)n2nc(SCC(=O)NC(=O)NC(C)(C)C)nc2n1 3466897 XFRJJIYDTFIMTJ-UHFFFAOYSA-N 336.421 1.458 0 40 EDAB COc1cc(NC(=O)C[C@H]2N[C@@H]3CCCC[C@@H]3NC2=O)cc(OC)c1 3645044 MXWUEFNTFGGQRN-OWCLPIDISA-N 347.415 1.432 0 40 EDAB OCCN1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 22030140 SANUBOPPIDSKJG-IEBWSBKVSA-N 334.460 1.051 0 40 EDAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cccc(S(N)(=O)=O)c1 6265933 ADQXVXQRWNAAKL-LBPRGKRZSA-N 345.424 1.724 0 40 EDAB CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C(/C)Cl 12232508 FLGBFPPGLMIETG-YFHOEESVSA-N 339.827 1.788 0 40 EDAB O=C(NCc1cccs1)c1nc(N2CCOCC2)ncc1Cl 42127476 MSWXDGZNIQCPHB-UHFFFAOYSA-N 338.820 1.958 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@@H]1c1c(C)nn(C)c1C 104037933 OGIMLUIJMOBFGB-OQCHKFKFSA-N 344.463 1.841 0 40 EDAB COCCn1nc(C)c(CNc2nn3c(=O)cc(C)nc3s2)c1C 97160083 DBOVCPILZKSGCP-UHFFFAOYSA-N 348.432 1.531 0 40 EDAB CCCS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COCCN(C)C)C1 107711586 FTYKWMFKAYQFIB-CVEARBPZSA-N 348.509 1.176 0 40 EDAB COc1ccc(F)cc1C(=O)CN1C(=O)N[C@@]2(CCSC2)C1=O 22981279 VZUCZXLHYDEHFG-OAHLLOKOSA-N 338.360 1.445 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)CN1C(=O)CSc2ccccc21 42512701 GOELFLXNWYHZKC-LBPRGKRZSA-N 330.413 1.527 0 40 EDAB CCNC(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 42744884 MTSNNNCVXZXTEO-UHFFFAOYSA-N 328.409 1.943 0 40 EDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1nccs1 42758955 PHXNITVFTCNPQX-NEPJUHHUSA-N 326.422 1.002 0 40 EDAB Cc1noc(C)c1CSCC(=O)O[C@H](C)C(=O)N1CCNC1=O 24072180 UKENZIUXQHCXOW-SNVBAGLBSA-N 341.389 1.008 0 40 EDAB CS(=O)(=O)c1ccccc1S(=O)(=O)NCCc1cccs1 24051505 PJYGPTWUVJWIKZ-UHFFFAOYSA-N 345.467 1.673 0 40 EDAB O=C(CN1CCN(C(=O)C2CC2)CC1)NCC1(c2ccccc2)CC1 24596185 QNVPKBIMDIAXDR-UHFFFAOYSA-N 341.455 1.389 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@@H](C)c3ccncc3)CC2)no1 43191634 RETKOCFITMLXAS-AWEZNQCLSA-N 329.404 1.966 0 40 EDAB O=C(CNC(=O)NCc1ccc(CN2CCCCC2)cc1)NC1CC1 9876524 OWYFEAVUAMSWOH-UHFFFAOYSA-N 344.459 1.750 0 40 EDAB NS(=O)(=O)c1cccc(CNC(=O)c2cccc3ncccc23)c1 25271486 GYTGUBPSIYZDNJ-UHFFFAOYSA-N 341.392 1.812 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1cnn(C)c1C 100141315 VKAYMRPUNMWIIR-IUODEOHRSA-N 336.399 1.982 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2=O)cc1 34916694 JBLCDRBCYORZSA-IIAWOOMASA-N 346.427 1.680 0 40 EDAB O=C(CN1CCCCC1)NCc1ccc(C(=O)N2CCOCC2)cc1 25404330 KAJXPVNRNPSTTQ-UHFFFAOYSA-N 345.443 1.261 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)NCc1nnc2ccccn12 26504095 ZRCLNEPDXNABIL-UHFFFAOYSA-N 348.366 1.146 0 40 EDAB CCc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3CCN2CCOCC2)o1 107198491 KTONDAIEAQRUNB-ZWKOTPCHSA-N 347.459 1.349 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NCc2ccc(F)cc2)on1 44643041 VZMKJEHDODLBCJ-LLVKDONJSA-N 340.376 1.742 0 40 EDAB O=C(c1ccno1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108536284 ULHFJDCMOPXNFP-ZDUSSCGKSA-N 343.387 1.731 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CN1C(=O)[C@H]2CCCCN2C1=O 58082891 NCWBQNMKWNHLQD-HUUCEWRRSA-N 332.400 1.860 0 40 EDAB CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 2072338 OSKSENZOYFJWHX-LLVKDONJSA-N 344.433 1.385 0 40 EDAB CS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COCc2ccncc2)C1 107771530 IXDKEHHJWTXCSG-CVEARBPZSA-N 340.445 1.429 0 40 EDAB Cc1cc(C(=O)NC2CCN(Cc3nc(CC(C)C)no3)CC2)no1 58217663 JEPCPHNRPWKLLT-UHFFFAOYSA-N 347.419 1.959 0 40 EDAB CC1CCN([C@H](C)CNC(=O)C2CCN(c3ncccn3)CC2)CC1 58230017 FSEYYNAMWNVGGU-MRXNPFEDSA-N 345.491 1.930 0 40 EDAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(O)nn1 27760029 AAXUOAADMNTHOO-LBPRGKRZSA-N 334.401 1.047 0 40 EDAB Cc1nc(CCNC(=O)c2cc3c([nH]c2=O)CCCC3=O)cs1 48261693 WCZDRBGAHWTPAW-UHFFFAOYSA-N 331.397 1.631 0 40 EDAB Cc1cc(CN2CCN(C[C@@H](O)COCc3ccco3)CC2)on1 48236941 PCFZEUNHMWQCMX-OAHLLOKOSA-N 335.404 1.271 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)NCCCn1nc2n(c1=O)CCCC2 44970277 RGRDOFWPXAAIIN-CYBMUJFWSA-N 347.419 1.295 0 40 EDAB O=C1CNC(=O)N1Cc1ccc(N2C(=O)Cc3ccccc3C2=O)cc1 44977818 TVXOVNMCZKCEGK-UHFFFAOYSA-N 349.346 1.468 0 40 EDAB CCNC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063911 XQSPSVXJCBUJJK-UHFFFAOYSA-N 340.401 1.351 0 40 EDAB COCCCNC(=O)CN(C)C(=O)c1cc(C)nc2ccccc12 58311201 FZZAMIQIAVZDHB-UHFFFAOYSA-N 329.400 1.768 0 40 EDAB COC(=O)[C@@H](C)Sc1nnc(N2CCCC2)n1C[C@@H]1CCCO1 58393854 OHPXWQOPHHCDIS-NEPJUHHUSA-N 340.449 1.711 0 40 EDAB COc1ccc(Cl)cc1N1C[C@H](C(=O)NCCN(C)C)CC1=O 45164856 OCTNZCYQIGTCMD-LLVKDONJSA-N 339.823 1.379 0 40 EDAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 29192775 ZFRLQPZMVSFTGY-NSHDSACASA-N 329.422 1.260 0 40 EDAB COC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cccs2)cc1 11666455 XITSIJHXDDCGTK-UHFFFAOYSA-N 339.394 1.947 0 40 EDAB CCC[C@@H]1NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 12763104 NDAADLZVOKNOLQ-AWEZNQCLSA-N 328.372 1.344 0 40 EDAB CC(C)Oc1cccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 48345544 GALOCPUJGXWWBI-UHFFFAOYSA-N 328.372 1.269 0 40 EDAB COc1ccccc1C(=O)NC(=O)COC(=O)Cc1ccccc1F 3449216 YRWGLPMSZYYSIB-UHFFFAOYSA-N 345.326 1.877 0 40 EDAB CC(C)N1CCOC[C@@]2(CC[C@H](CNC(=O)c3cscn3)O2)C1 306123205 AHFQDTAWPLHKRF-CZUORRHYSA-N 339.461 1.531 0 40 EDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC(C)(C)C)C2=O)cc1 8734689 FSMCTDKABXCJAU-KRWDZBQOSA-N 333.388 1.377 0 40 EDAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)Oc2ccccc21 12975073 JMPNWKNGPHXGLK-INIZCTEOSA-N 339.351 1.538 0 40 EDAB CC(=O)N1C(=S)NC(=O)/C1=C\c1cc2ccc(C)cc2nc1O 8867211 QSSFFUORYIMWBJ-NTUHNPAUSA-N 327.365 1.853 0 40 EDAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCC(=O)O)c(C)c2oc1=O 4062034 MUZVWHSGEVFRKG-NSHDSACASA-N 333.340 1.686 0 40 EDAB biogenic N[C@@H](Cc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)cc1)C(=O)O 39351856 SFFJTJAQSFLYFG-HOTGVXAUSA-N 328.368 1.262 0 40 EDAB Nc1nc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)n[nH]1 8924379 ZXIZRWGHYQIQHM-UHFFFAOYSA-N 332.389 1.245 0 40 EDAB Cc1cccc(C)c1OC1CCN(CC(=O)N2CCNC(=O)C2)CC1 65520297 MTKCTLMSFIFKOS-UHFFFAOYSA-N 345.443 1.105 0 40 EDAB CC[C@@H](CO)NC(=O)c1ccc(NCC(=O)N[C@H](C)C(C)C)cc1 65503581 OCPZDSMHHIHZTJ-HIFRSBDPSA-N 335.448 1.760 0 40 EDAB O=c1onc(-c2ccccc2)n1Cc1cc(=O)n2ccsc2n1 65723382 NQIQLFFFINMPQL-UHFFFAOYSA-N 326.337 1.621 0 40 EDAB COc1ccccc1C(=O)NC(=O)CSc1nncn1C(C)C 5417211 AIZJPVHHISTBCS-UHFFFAOYSA-N 334.401 1.916 0 40 EDAB CC(C)C[C@H](NC(=O)CCn1c(O)nc2ccccc2c1=O)C(=O)O 9042421 QOARRPCLPGTKLP-ZDUSSCGKSA-N 347.371 1.108 0 40 EDAB biogenic CNS(=O)(=O)CC(=O)N1CCCc2cc(Br)ccc21 83068296 ZGDZOSCUPWKSDF-UHFFFAOYSA-N 347.234 1.278 0 40 EDAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)N(C)C)c(OC)c1 5786315 AMWCYWSZLZBYOU-AWEZNQCLSA-N 335.429 1.585 0 40 EDAB COC(=O)C1=NN[C@]2(C)C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]12 4897919 ISVZPONKNMOQDX-BMIGLBTASA-N 335.747 1.029 0 40 EDAB COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)N2CCCCC2)c1 6862065 PDSZIDGMIAOSOE-CQSZACIVSA-N 333.432 1.967 0 40 EDAB O=C(CNC(=O)c1ccco1)Nc1cccc(N2CCCC2=O)c1 6987762 OKWUYWHIWVFTOQ-UHFFFAOYSA-N 327.340 1.775 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccccc1 7038615 YTNMNLTZIGOSIN-NSHDSACASA-N 334.397 1.834 0 40 EDAB NC(=O)N[C@@H](CC(=O)N1CCC[C@H](n2ccnc2)C1)c1cccs1 71796532 ADISTVCZWOTLTI-STQMWFEESA-N 347.444 1.908 0 40 EDAB COCCN1CCN(CC(=O)N(C)Cc2ccsc2)C[C@@H]1C 70011650 JLIIEBFWVZCKED-AWEZNQCLSA-N 325.478 1.359 0 40 EDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CCCC3)[C@@H]4C2=O)no1 9302576 IFVLHOGIVFTUQH-SCFUHWHPSA-N 343.383 1.328 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](c2nncn2C)C1 69414567 LNGHXNIUPGCXAU-CQSZACIVSA-N 330.436 1.504 0 40 EDAB NS(=O)(=O)c1cnn(CCC(=O)N2CCC[C@@H]2c2ccccc2)c1 69486976 DFZDUETWNNXMGW-OAHLLOKOSA-N 348.428 1.284 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2=O)cc1 69421299 UCIQEOZTJUAQCZ-LXZKKBNFSA-N 346.427 1.727 0 40 EDAB COc1ccc(NC(=O)COc2ccccc2)cc1-n1nnnc1C 69483763 UJXAPMUGFQHMIZ-UHFFFAOYSA-N 339.355 1.997 0 40 EDAB COc1ccccc1CC(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 69517068 MQTRSIQCJMJJPZ-SFHVURJKSA-N 345.487 1.866 0 40 EDAB Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)c(=O)[nH]1 69535208 FLMPRJJBVZJSLP-MRXNPFEDSA-N 339.395 1.303 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)Nc3nc(C)no3)CC2=O)cc1 69515137 WQZVWRFZWDMGQE-LBPRGKRZSA-N 330.344 1.374 0 40 EDAB C[C@H]1CN(C[C@H](O)CN2CCCC[C@@H]2Cn2cccn2)C[C@@H](C)O1 69632158 GLAIMEACWDZGDN-XDNAFOTISA-N 336.480 1.208 0 40 EDAB COc1ccc(-c2nc(CN3CCN(C[C@H](C)O)CC3)no2)cc1 69740025 WJBRFXUPDUPTQQ-ZDUSSCGKSA-N 332.404 1.244 0 40 EDAB CN1[C@H](Cc2ccc3c(c2)OCO3)[C@H](O)c2ccccc2S1(=O)=O 9481543 UAJMFZBNPZSMGP-CXAGYDPISA-N 347.392 1.694 0 40 EDAB COc1ccc(-n2ccc(C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)n2)cc1 71829454 RWFMAPBDIJSKNM-STQMWFEESA-N 342.399 1.607 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)n1 71870164 LKOVJWKZQOXSMF-DLBZAZTESA-N 344.459 1.749 0 40 EDAB O=C(C[S@@](=O)Cc1ccc(-n2cccn2)cc1)NCC(F)(F)F 71857609 CEIYNVPESAOEEL-HSZRJFAPSA-N 345.346 1.800 0 40 EDAB CC(C)(C)n1nnnc1SCCn1cnc2ccsc2c1=O 71922128 IPKQZUGGFJFWBC-UHFFFAOYSA-N 336.446 1.992 0 40 EDAB Cc1cccc(CCC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1 71908950 TXMOXTOMICXOJT-LJQANCHMSA-N 345.487 1.450 0 40 EDAB C[C@@H]1CCCCN1CCCNC(=O)Cn1cnc2ccccc2c1=O 71924344 QIBBTLGEHNCSCX-OAHLLOKOSA-N 342.443 1.777 0 40 EDAB CCc1nn2c(=O)cc(CN3CCn4c(nc(C)c4C)C3)nc2s1 97201166 PSGRTNBIAIOGNA-UHFFFAOYSA-N 344.444 1.543 0 40 EDAB Cc1nc2nc(SCCCOC(=O)NC(N)=O)nn2c(C)c1C 84057738 DMJNQJBGRWLBCD-UHFFFAOYSA-N 338.393 1.337 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCC[C@@H](n2nc(C)nc2C)C1)C1CCCC1 72235318 DEWKDPGMKZOIOI-SJORKVTESA-N 347.463 1.753 0 40 EDAB OC[C@H]1CCCN1c1cc(NC[C@@H]2COc3ccccc3O2)ncn1 72275987 RUMBRBDUIHPOBH-ZIAGYGMSSA-N 342.399 1.690 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)C[C@H]2CCc3ccccc3C2)[nH]1 72280857 WAFVEXYTCKDMAA-JTQLQIEISA-N 334.401 1.342 0 40 EDAB CNC(=O)c1cccc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)c1 72297182 PZPZGBRVHTUMMF-INIZCTEOSA-N 341.415 1.732 0 40 EDAB O=C(Cc1ccon1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 84528341 GGARKGHKFLKOCP-INIZCTEOSA-N 327.384 1.567 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@H](O)Cc2ccccc2)C1 95432985 DJRXVQZLXGKHNL-IJEWVQPXSA-N 326.462 1.402 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)NCCc1ccc(-n2cccn2)cc1 95436833 KLXGFMKJXHIXFN-INIZCTEOSA-N 341.415 1.335 0 40 EDAB CC(C)=CCN1CCC(NC(=O)NC[C@](C)(O)c2cnn(C)c2)CC1 95400965 FIYRYIDYJRROTR-SFHVURJKSA-N 349.479 1.357 0 40 EDAB CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)CCc2ccccc2F)CCO1 95403577 UOBAJZYOTGUQGQ-BBRMVZONSA-N 336.407 1.758 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN[C@@H](C)C2)c(Br)c1 88059567 MBXODXGAEMURTP-JTQLQIEISA-N 333.251 1.740 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cn1 75124105 USBSXOCCZLBGQK-UWVGGRQHSA-N 326.278 1.869 0 40 EDAB CS(=O)(=O)CCCNC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75121698 TWHRQXAQWCQIDW-UHFFFAOYSA-N 334.397 1.206 0 40 EDAB CC(C)CCNS(=O)(=O)CCNC(=O)OCc1ccccc1 89821160 UUIIBBFYVMSOSG-UHFFFAOYSA-N 328.434 1.878 0 40 EDAB C[C@@H](CNC(=O)N1CC[C@H](Oc2cccnc2)C1)Cn1cccn1 89900809 XAZRZUBMWIAQPY-HOCLYGCPSA-N 329.404 1.777 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 89904457 AZKZVGBPKHOHFI-OCCSQVGLSA-N 348.838 1.898 0 40 EDAB CCN(C(=O)CN1CCN(Cc2ncc[nH]2)CC1)c1ccccc1 75612487 QSRPQMJPQWZHPS-UHFFFAOYSA-N 327.432 1.580 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1sc(C)c(C)c1C 75719113 LSCMNDWRFPYGRL-NEPJUHHUSA-N 326.418 1.220 0 40 EDAB CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 408551837 JGFBLUHLAGLSTB-ZDUSSCGKSA-N 342.461 1.977 0 40 EDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(CCCc2nc(C)no2)C1 548664830 ASADPFAIUTUASA-MRXNPFEDSA-N 349.460 1.813 0 40 EDAB COC[C@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218462669 IACDCIOXDGHDNU-GMXVVIOVSA-N 333.862 1.769 0 40 EDAB COc1cc(OC)cc(C(=O)NCc2nc(C)cc(N(C)C)n2)c1 211097733 VVAFXLRAHRDBIM-UHFFFAOYSA-N 330.388 1.798 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217410582 AOYRAUDYVYHHMZ-NSHDSACASA-N 328.390 1.274 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@]1(COC)C(N)=S 218089860 IHCOUJQVSNYTIG-KCQAQPDRSA-N 343.470 1.515 0 40 EDAB COC(=O)c1cn(NC(=O)[C@H]2[C@H]3CCCC[C@H]32)cc2c(O)nnc1-2 524735206 GISVIOIYKZFTQT-BZBKMWRSSA-N 330.344 1.381 0 40 EDAB Cc1n[nH]c(=O)c(CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1C 71914052 WLXDXTGZZGLDKD-VIFPVBQESA-N 349.412 1.189 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(Cl)nc(N(C)C)c1 79043993 AOEDYCNFDATQJE-NSHDSACASA-N 326.828 1.692 0 40 EDAB CCOC(=O)[C@H]1[C@H](C(C)=O)C(=O)N1Cc1ccc(OC)cc1OC 218272892 KBTAFYOUYBIMNY-LSDHHAIUSA-N 335.356 1.183 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c1nc(N)n2Cc1ccc(Cl)cc1Cl 72226863 CMDBNHHIPPJMML-UHFFFAOYSA-N 340.170 1.361 0 40 EDAB COC(=O)c1cn(-c2cc[nH]n2)cc2c(=O)n(-c3ccccc3)nc1-2 30822966 NIBCIXXGVQGDJT-UHFFFAOYSA-N 335.323 1.638 0 40 EDAB NC[C@@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218058638 PUTKWDGOBAMMIB-OWCLPIDISA-N 336.844 1.936 0 40 EDAB CN(C)C(=O)CN1CCC[C@H](c2nccnc2Oc2cccnc2)C1 72362446 OKUFZXYALXWDON-AWEZNQCLSA-N 341.415 1.932 0 40 EDAB Cc1nnsc1C(=O)Nc1cnc(-n2nc(C)c(C)c2C)nc1 85470404 JSYCXGAFYKARRH-UHFFFAOYSA-N 329.389 2.000 0 40 EDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2cccc(OC)c2)c1=O 222671126 KKPSYAGNQLZHLS-UHFFFAOYSA-N 347.371 1.074 0 40 EDAB C[C@](O)(CNS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)OCO2 75155463 SNPLMVPSNBYOIS-KRWDZBQOSA-N 349.408 1.742 0 40 EDAB Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)n1 75162994 RXPLNCCTHOHXGE-UHFFFAOYSA-N 327.344 1.069 0 40 EDAB CC(C)[C@H](C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 225201590 LKNOPOZLAWPWKM-JTQLQIEISA-N 334.388 1.892 0 40 EDAB C[C@H]1CN(CCN(Cc2ccccc2)S(C)(=O)=O)CC[C@@H]1O 225401217 DMKDPPMSNMKNSM-HOCLYGCPSA-N 326.462 1.151 0 40 EDAB Cc1nc2sccn2c1CN(C)C(=O)Cc1csc(CN)n1 1579873459 JQIXTESMHRNTDI-UHFFFAOYSA-N 335.458 1.821 0 40 EDAB COC1(CNS(=O)(=O)c2c(C)noc2C)Cc2ccccc2C1 225721035 MCLKSGZCFYGATJ-UHFFFAOYSA-N 336.413 1.754 0 40 EDAB Cc1cnc(C)c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1 195563800 YJUYQIHVLPVFLF-OAHLLOKOSA-N 331.464 1.663 0 40 EDAB O=C(CCOC1CCOCC1)N1CCN([C@H]2C[C@@H]3CC[C@H]2C3)CC1 84559428 COSXFBHPPHZKTI-RYRKJORJSA-N 336.476 1.905 0 40 EDAB Fc1cnc(N2CCC[C@@]3(C2)CN(c2nncs2)CCO3)nc1 96226568 SUBVPLIZGOVEBY-CQSZACIVSA-N 336.396 1.343 0 40 EDAB Cc1noc(C)c1[C@H](C)NC(=O)NCC(=O)N(C)CC(F)(F)F 96440820 CAFFETOHARHDME-ZETCQYMHSA-N 336.314 1.672 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C3[C@H]4CCC[C@@H]34)CC2)C1 195534249 CBVJQVLDKORVGS-JWJAOHTJSA-N 347.503 1.872 0 40 EDAB O=C1NC[C@@H](COc2ccccn2)[C@]12CCN(Cc1nccs1)C2 96218372 LTJJVBYEMKILRR-SUMWQHHRSA-N 344.440 1.555 0 40 EDAB Cn1cccc1C(=O)N1CCc2ncc(CN3CCCCC3)n2CC1 96196892 LZALIAJMMZEITI-UHFFFAOYSA-N 341.459 1.906 0 40 EDAB O=C([C@@H]1CO[C@@H]2CCN(CC3CCOCC3)C[C@@H]2C1)N1CCCO1 96058175 XGHNXWRZFBAMJN-YESZJQIVSA-N 338.448 1.304 0 40 EDAB O=C(C1CCOCC1)N1CC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 96107807 KXJRVEPAUVPPEC-MJGOQNOKSA-N 346.427 1.785 0 40 EDAB Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CCN(C)C2=O)cc1 96461465 DKESCNSSRREVHR-BLLLJJGKSA-N 341.415 1.772 0 40 EDAB O=C(O)[C@@H]1C[C@H](N2CCCC2)CCN1C(=O)c1ccc2c(c1)OCO2 96069056 OTNGRQRBEBYJPM-KGLIPLIRSA-N 346.383 1.569 0 40 EDAB CNc1ncnc2ncn(C[C@@H](O)CN(C)Cc3ccccc3)c12 96407755 GCDNGCRDCORBTE-AWEZNQCLSA-N 326.404 1.361 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2COC[C@]2(COCc2cccc(C)n2)C1 96108938 ULXINEBLWONNCP-ZBFHGGJFSA-N 340.445 1.205 0 40 EDAB COc1ncccc1CN1C[C@H]2CN(C(=O)c3cnccn3)C[C@H]2C1 96063677 GTMAFRQHBBOSGB-GASCZTMLSA-N 339.399 1.084 0 40 EDAB O=C(N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)C(F)(F)C1(O)CCCCC1 583621165 ISVCSYBAGIJYCZ-MJBXVCDLSA-N 347.402 1.705 0 40 EDAB Cc1ccc(CCC(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)c(C)c1 583617805 TWZANWBJPPWLMU-SFHVURJKSA-N 328.416 1.864 0 40 EDAB Cc1ccoc1C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 96196956 JZTTVJJANPKSAR-UHFFFAOYSA-N 325.372 1.728 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccco1)C2 96039529 LTYGDNFTKVJDMB-SJLPKXTDSA-N 336.432 1.869 0 40 EDAB CNC(=O)CN1CCC2(CCCN(C(=O)c3ccccc3F)C2)CC1 96217496 VAHWBCGVWTZEOC-UHFFFAOYSA-N 347.434 1.890 0 40 EDAB O=C(c1ccno1)N1CCC2(CC1)Cc1ccccc1CNC2=O 247838706 DRHRFXBHZQHGJX-UHFFFAOYSA-N 325.368 1.770 0 40 EDAB Cn1cc([C@H](NC(=O)c2cc3c(s2)CCC3)c2ncon2)cn1 585087849 WZYNZBLLPROJHS-ZDUSSCGKSA-N 329.385 1.873 0 40 EDAB Cn1cnc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)n1 585121458 PXUYSGQKPJCAAX-NSHDSACASA-N 335.408 1.933 0 40 EDAB COC(=O)c1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C)on1 585124790 RXJFEOVWSXVMFY-UHFFFAOYSA-N 332.238 1.624 0 40 EDAB COc1ccc(-c2noc([C@@H]3CCCN(S(N)(=O)=O)C3)n2)cc1 585133828 WYXGNSBELKCQHT-LLVKDONJSA-N 338.389 1.128 0 40 EDAB CN(C)[C@H]1[C@H](NC(=O)c2ccccn2)C[C@@H](Oc2ccccc2)[C@@H]1O 257308929 TYTUUNQUNHYIEL-BDXSIMOUSA-N 341.411 1.322 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cncc(Cc2ccc(F)cc2)c1 257247193 IXWBBUYNJFFKOL-INIZCTEOSA-N 348.399 1.728 0 40 EDAB CN1CCN(C(=O)CCCn2cc(COc3ccccc3)nn2)CC1 252484629 GBQULAYFTUPASM-UHFFFAOYSA-N 343.431 1.411 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cncnc3)CC2)C[C@@H](O)C1(C)C 257328997 XHYKESRYZIZOJT-OAHLLOKOSA-N 346.431 1.091 0 40 EDAB Cc1cc(N(C)C2CC3(CCN(C(=O)Cn4cccn4)C3)C2)ncn1 257262891 LNMGNTYROOTLRN-UHFFFAOYSA-N 340.431 1.499 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1cccc(F)c1 257341457 ZKKICVSXJYIPDZ-KRWDZBQOSA-N 328.347 1.493 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(Cc3cncnc3)CCN2C)c1 257304720 SMVYPLQJSIKTNN-QGZVFWFLSA-N 325.416 1.325 0 40 EDAB Cc1cccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)c1 257288747 PVLHENWPJBDDOI-IBGZPJMESA-N 340.427 1.889 0 40 EDAB O=C(c1cccnc1N1CCCCC1)N1CCc2ncnc(O)c2C1 269661683 FYKFUZCJDXGJOW-UHFFFAOYSA-N 339.399 1.766 0 40 EDAB O=C(NCC[C@@]1(O)CCCOC1)[C@H]1CCN(C(=O)c2ccccc2)C1 628009011 FFWRAKQBOKSLEY-LPHOPBHVSA-N 346.427 1.197 0 40 EDAB COCCS(=O)(=O)N[C@](C)(C(=O)OC(C)(C)C)C(F)(F)F 1615055233 KNDZGGJMXWDMDG-SNVBAGLBSA-N 335.344 1.215 0 40 EDAB COc1cc(C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)ncn1 1615042682 UPNUONQXJFBBFT-JTQLQIEISA-N 346.774 1.674 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575404966 PTKMMOZPKIZTED-AWEZNQCLSA-N 326.356 1.324 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 575405449 SMWBDORXGMGXKS-JKSUJKDBSA-N 332.400 1.395 0 40 EDAB COC(=O)c1ccccc1NC(=O)N1CCC[C@H](N2CCNC2=O)C1 585132840 JLVVDHMMEOBBQQ-LBPRGKRZSA-N 346.387 1.495 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCCN1CCOCC1 60141933 XRQMWFRJJTXZFA-CQSZACIVSA-N 341.452 1.224 0 40 EDAB CC(C)c1ncncc1C(=O)NCCNC(=O)Cc1cccc(F)c1 65449655 MZGNTDMGMUGEKX-UHFFFAOYSA-N 344.390 1.828 0 40 EDAB N[C@H]1CN(C(=O)NCc2ccnc(-c3ccccn3)n2)CC12CCC2 1553529881 XZWOMQDEDDRXFM-HNNXBMFYSA-N 338.415 1.561 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(N2CCOCC2)c1 68546186 SNGAKZJGSMXNQD-KBPBESRZSA-N 348.447 1.948 0 40 EDAB O=C(NCCC(=O)N1CCCC1)c1nn(-c2ccccc2F)cc1O 89821309 CHGAGVZPTRHACB-UHFFFAOYSA-N 346.362 1.459 0 40 EDAB Cc1nnc2ccc(N3CC(N(C)c4ncc(Cl)cn4)C3)nn12 585607158 MDJCCYBCOUQVPW-UHFFFAOYSA-N 330.783 1.201 0 40 EDAB CCOc1ccc(CC(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)cc1 1615131140 VFYWUPCQNJSXKN-KYJSFNMBSA-N 337.416 1.420 0 40 EDAB CO[C@@H]1C[C@H](COc2cccnc2)N(S(=O)(=O)CC(C)C)C1 1615613980 KGRLQLINDBTDJX-UKRRQHHQSA-N 328.434 1.536 0 40 EDAB O=C(Cn1cncn1)N1Cc2ccccc2OC2(CCOCC2)C1 12121861 JAFUJRGNQWSEHZ-UHFFFAOYSA-N 328.372 1.249 0 40 EDAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@H]1CCCNC1=O 12239670 FFBQYBVCNBYSNH-LBPRGKRZSA-N 326.418 1.376 0 40 EDAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccncc1 12607864 YBBPYNPXCHJHNT-UHFFFAOYSA-N 338.367 1.577 0 40 EDAB CCCCCc1c(O)nc(SCCN2CCOCC2)[nH]c1=O 13556811 JSQLAPKQBSSMRP-UHFFFAOYSA-N 327.450 1.633 0 40 EDAB CC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 16575437 KVLJSFOUQBUATF-UHFFFAOYSA-N 340.445 1.765 0 40 EDAB NC(=O)c1nc(-c2ccco2)nc2c1[nH]c(=O)n2Cc1ccccc1 19372877 WXXMVILRQJQPHF-UHFFFAOYSA-N 335.323 1.527 0 40 EDAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1ccc2c(c1)CCC2 19500319 SPUMEDQSBQYXOA-LJQANCHMSA-N 329.488 1.860 0 40 EDAB COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccc([S@@](C)=O)cc1 591653035 WYRGCVGZCCDSTE-IVZQSRNASA-N 325.386 1.130 0 40 EDAB O=C(NCCOc1ccccc1)NCC1(O)CSCCSC1 1888881793 YBUPJZSZXAMOEO-UHFFFAOYSA-N 342.486 1.576 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)N1CCO[C@H]2CCCC[C@@H]21 40553912 LLZLULZDMWMDEM-HOTGVXAUSA-N 342.399 1.352 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H]3OCC(=O)N(C(C)C)C[C@H]3C2)cn1 2037984499 COQUSKIQVFOKNY-CVEARBPZSA-N 331.416 1.488 0 40 EDAB COc1ccccc1C(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 100073920 STZXXLDBIMRDTB-ANBFAKJFSA-N 338.363 1.393 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@H]2NC(=O)CC1(OC)CCC1 1614940067 BXCFLOWYUIXNRN-CYBMUJFWSA-N 333.432 1.838 0 40 EDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)c4csnn4)CC3)O2)n1 1565543104 VUVWFDDPLWDFAH-NSHDSACASA-N 335.389 1.756 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)C3CC(F)(F)C3)CC2)C1 1565545376 HDVYRUQOUBQUQX-UHFFFAOYSA-N 336.404 1.352 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1c1c(F)c(F)nc(F)c1F 33357 CCGODDKNKIRBST-UHFFFAOYSA-N 332.234 1.987 0 40 EDAB COc1cccc(C(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1 4504423 DSMKUUCWOSCXSK-CQSZACIVSA-N 325.430 1.981 0 40 EDAB COc1cc(NCCNC(=O)Nc2cccc(F)c2)nc(OC)n1 11764646 NOLYGEZVJJBZKM-UHFFFAOYSA-N 335.339 1.867 0 40 EDAB O=C(NCc1cnc2n1CCN(C(=O)N1CCCC1)CC2)C1CCC1 2055772306 TZOPPGKNUAIMSZ-UHFFFAOYSA-N 345.447 1.373 0 40 EDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(c2ncccn2)CC1 2055747553 GHKGZUVNAWNFKP-UHFFFAOYSA-N 341.415 1.682 0 40 EDAB COC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1C 426941 RHWOCZJHPXJBCB-UHFFFAOYSA-N 334.401 1.319 0 40 EDAB Cc1c(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cnn1C 103508049 OAFCXRAKTZWPOZ-OCCSQVGLSA-N 344.758 1.674 0 40 EDAB COC(=O)c1cccc(C)c1NS(=O)(=O)c1ncn(C)c1Cl 40122758 ISCBCZZTSXCTCB-UHFFFAOYSA-N 343.792 1.969 0 40 EDAB CC(=O)N[C@]1([C@H](O)c2cccc(F)c2)C(=O)N(C)c2ccccc21 40266881 DSYJKWBIZGBCDJ-SJLPKXTDSA-N 328.343 1.867 0 40 EDAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)[C@H]1CCS(=O)(=O)C1 31610741 GWCMDARKSUHKHL-YEZKRMTDSA-N 331.825 1.041 0 40 EDAB CCN(CC(=O)N[C@H]1CCCCNC1=O)Cc1ccc2c(c1)OCO2 40528247 ZBGZJDLTEPSVIP-AWEZNQCLSA-N 347.415 1.022 0 40 EDAB CC(C)Oc1cccc([C@@H](C)NC(=O)CN(C)S(C)(=O)=O)c1 40534897 SFXGIPQLSGCCOR-GFCCVEGCSA-N 328.434 1.542 0 40 EDAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@H]1CCCCNC1=O 40522021 CHQQJBDXXDGIPQ-ZDUSSCGKSA-N 334.372 1.062 0 40 EDAB O=C(CN1C(=O)CSc2ccccc21)N[C@H]1CCN2CCCC[C@H]12 40534817 ZXERSGCTVBKGJT-UONOGXRCSA-N 345.468 1.868 0 40 EDAB COc1ccc(CNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 223684 XMDMAMVWPJFRRY-UHFFFAOYSA-N 337.379 1.801 0 40 EDAB C[C@@H]1CN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@@H](C)O1 29693813 SVMJGWAAHXKZJI-ZIAGYGMSSA-N 331.416 1.861 0 40 EDAB CN1N=C(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)CCC1=O 46510126 MDFSRRGPDMEMHW-AWEZNQCLSA-N 331.372 1.791 0 40 EDAB O=c1c(Cl)c(N2CCN(CCF)CC2)cnn1-c1ccccc1 76093274 UNWZGGJVOHWSMT-UHFFFAOYSA-N 336.798 1.977 0 40 EDAB CC[C@@H](CCO)CNC(=O)CN(CCOC)C(=O)OC(C)(C)C 79076365 YIYGSDZOMBTBLC-ZDUSSCGKSA-N 332.441 1.395 0 40 EDAB CCO[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 79936775 MNLRZBLFUZZLQA-JKSUJKDBSA-N 334.391 1.925 0 40 EDAB COc1cc(/C=C/C(=O)OCC(=O)NCC(F)(F)F)ccc1O 3432093 HXNXAFWJGYEUOY-HWKANZROSA-N 333.262 1.636 0 40 EDAB CC(C)[C@@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)O 4084349 LXBVBFJMDGMTLK-YWPYICTPSA-N 334.397 1.482 0 40 EDAB biogenic O=C(C[C@H](NC[C@H]1CCCO1)C(=O)O)Nc1cccc(Cl)c1 4280006 QWUVENMKKQCXCW-OLZOCXBDSA-N 326.780 1.890 0 40 EDAB CCOC(=O)[C@@H](C(=O)CSc1nncn1C)c1nc(C)cs1 103034707 ITPJWVPXFPOSOQ-JTQLQIEISA-N 340.430 1.588 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)COc1ccc(C(N)=O)cc1 6290383 WVQJHVJSPKFPQC-UHFFFAOYSA-N 342.351 1.980 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H]2CCCN2)cc1Br 53254782 NKMGOMVSEIOUDN-SECBINFHSA-N 349.250 1.488 0 40 EDAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cccnc1 6616010 IYDFYPFHEUMZDU-UHFFFAOYSA-N 325.368 1.587 0 40 EDAB CC(C)(C)NC(=O)CN1CCCN(C(=O)Cc2cccs2)CC1 41907380 GFMFDKYBDWFNQM-UHFFFAOYSA-N 337.489 1.740 0 40 EDAB CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4OC)C(=O)[C@H]13)O2 103270955 RKTXWYRYYFZZSC-IUVQAAGXSA-N 343.379 1.935 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 100866250 YIHVHEGAAFLWJZ-JONQDZQNSA-N 348.374 1.353 0 40 EDAB C[C@H](C(=O)NCc1ccnc(OCC(F)(F)F)c1)n1cncn1 43109291 LUOKULQRKABCBT-SECBINFHSA-N 329.282 1.492 0 40 EDAB C[C@H]1CN(C(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)CCO1 106033996 JOKMNJVUBXUOKH-LSDHHAIUSA-N 343.431 1.507 0 40 EDAB Cc1c([C@H](C)NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cnn1C 24998126 HYYRIKUJXJWQHS-XJKSGUPXSA-N 340.427 1.954 0 40 EDAB CC[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1OCC(=O)NC 55573308 AXUNEICWLGJFAR-AWEZNQCLSA-N 343.383 1.381 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2cc(C)on2)c1 25138024 LZAVTMCCRUCJOP-UHFFFAOYSA-N 337.401 1.472 0 40 EDAB O=C(/C=C/c1ccc2c(c1)CCO2)N1CCN(c2cnccn2)CC1 25834904 SMUCIVLZESBTSG-DUXPYHPUSA-N 336.395 1.774 0 40 EDAB O=C(Cn1cc(Cl)cn1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 59949962 DDTYAILQDWLYRU-ZDUSSCGKSA-N 345.852 1.495 0 40 EDAB CCn1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cn1 69744956 ISACLAIMPADPCR-QGZVFWFLSA-N 340.427 1.876 0 40 EDAB CCC(C)(C)n1nnnc1[C@H](c1ccccn1)N1CCC(O)CC1 57710669 KRXRUPGXULCHPI-HNNXBMFYSA-N 330.436 1.759 0 40 EDAB Cn1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)n1 44891543 MLROPRMZXYDIGM-UHFFFAOYSA-N 334.685 1.893 0 40 EDAB CC(=O)N1CCC(NS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 44869699 NCMGNUSVSROKGO-UHFFFAOYSA-N 334.800 1.768 0 40 EDAB COc1ncccc1NC(=O)NCc1ccc(N2CCOCC2)nc1 48275245 UDXAGLPQJDTHIP-UHFFFAOYSA-N 343.387 1.644 0 40 EDAB COC[C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl 58292086 YCTCYTGOGQZFRO-VIFPVBQESA-N 335.809 1.782 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCc2ccccc2N2CCOCC2)c1 58281914 SCHYKONZCLTJSA-UHFFFAOYSA-N 327.384 1.984 0 40 EDAB Cn1cc(CN2CCC[C@]3(CO[C@H](C(=O)NCC4CC4)C3)C2)cn1 107230262 XBEOTTRNUDUXIA-FUHWJXTLSA-N 332.448 1.317 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccccc1S(C)(=O)=O)c1ccco1 48288511 BGBOSSVFGSDJDD-CYBMUJFWSA-N 336.413 1.716 0 40 EDAB COc1ccc([C@H](NC(=O)NC[C@@H]2CCOC2)c2nccn2C)cc1 48297610 YSDSEAFGQIJPHK-BBRMVZONSA-N 344.415 1.854 0 40 EDAB O=C(NCCCn1cccn1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 44968411 IUXHRNZCBUEMGZ-HOTGVXAUSA-N 336.436 1.643 0 40 EDAB C[C@@H](COCC(F)(F)F)NC(=O)c1ccnc(-n2ccnc2)c1 58390627 KLRIMBMDIAPWED-JTQLQIEISA-N 328.294 1.965 0 40 EDAB CCOc1ncccc1C(=O)OCC(=O)NC(=O)NCc1ccco1 3379578 IZZXKWILNDFHPM-UHFFFAOYSA-N 347.327 1.256 0 40 EDAB Cc1nc2sc3c(c2c2nc(C(=O)NC[C@H](C)O)nn12)CCCC3 2210854 BDEXSSVFTIETTP-QMMMGPOBSA-N 345.428 1.637 0 40 EDAB CNc1snc(C)c1C(=O)N1CCN(Cc2ccncc2)CC1 28694673 NUOSCBMUDWUDEY-UHFFFAOYSA-N 331.445 1.846 0 40 EDAB O=C1CCc2cc(C(=O)NCCCOC[C@H]3CCCO3)ccc2N1 48324344 PXZRBDUYNUHCOM-OAHLLOKOSA-N 332.400 1.887 0 40 EDAB CC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3438022 QYPLAKKAAQULMW-UHFFFAOYSA-N 339.413 1.997 0 40 EDAB O=C(CNC(=O)c1ccccc1)OCC(=O)N1CCc2ccccc21 3508493 MOXOYXUIOKEBMY-UHFFFAOYSA-N 338.363 1.549 0 40 EDAB CC(=O)Nc1cccc(C(=O)NCCc2ccc3c(c2)OCO3)n1 12936590 JFFLKZYIWMJEOP-UHFFFAOYSA-N 327.340 1.741 0 40 EDAB COCCN1CCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 69840684 RIVOOERENKADQA-IBGZPJMESA-N 331.460 1.518 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1csc(N(CC)C(C)=O)n1)CC2 69808180 DSEODYDARKPGSV-LBPRGKRZSA-N 348.476 1.774 0 40 EDAB OCCN1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 69810846 HIJQEXIOLYYRFO-UHFFFAOYSA-N 347.440 1.649 0 40 EDAB CCc1ccc(C(=O)CCC(=O)N[C@@H](C)CS(C)(=O)=O)cc1 69874164 RBJXUBDRTBAQTD-LBPRGKRZSA-N 325.430 1.761 0 40 EDAB CCOc1ccc(NC(=O)C(=O)N2CCCN(C(=O)OC)CC2)cc1 69848190 VCHMZPMAYVZSFC-UHFFFAOYSA-N 349.387 1.325 0 40 EDAB O=C(/C=C/c1ccco1)NC(=S)N1CCN(c2ccccn2)CC1 18192692 ZRQUNTQCRPLTOG-VOTSOKGWSA-N 342.424 1.911 0 40 EDAB Cn1nc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)ccc1=O 13173079 BBDFNQDHECYKLZ-LBPRGKRZSA-N 335.747 1.380 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(OCC(N)=O)cc2)c1 69925468 XJVZUEUOANGPCG-OAHLLOKOSA-N 342.399 1.360 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCCCC1 5019434 FSTRHGPYXFYGRE-KRWDZBQOSA-N 346.427 1.997 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1C[C@H]2CC[C@H]1C2 110543346 QCMJUUAKWLBGEL-ZPFDUUQYSA-N 335.429 1.959 0 40 EDAB C[C@H](C(N)=O)N1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1 96414451 POBYXQGVWCJVBW-SNVBAGLBSA-N 334.401 1.035 0 40 EDAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Nc2cn[nH]c2)cc1 65415636 COVIGWINQYKGIC-MRXNPFEDSA-N 329.404 1.913 0 40 EDAB C[C@H](C(=O)N1CCCC1)S(=O)(=O)Cc1nc(C(C)(C)C)no1 65454230 NYSBRKMMXQJADL-SNVBAGLBSA-N 329.422 1.293 0 40 EDAB COC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 65517561 JMCCSRKIWYFKSU-FZMZJTMJSA-N 334.347 1.343 0 40 EDAB CN1CCN(C(=O)C2(NC(=O)CCc3ccsc3)CCCC2)CC1 65519122 AGIFZKLTZOUQBB-UHFFFAOYSA-N 349.500 1.884 0 40 EDAB CC(=O)N1CCCN(C(=O)NCCN(C)C(=O)OC(C)(C)C)CC1 65592468 RUVNFPDOZGFEQP-UHFFFAOYSA-N 342.440 1.117 0 40 EDAB Cc1cccc(CCNC(=O)N2CCN(c3ncccn3)CC2)c1 65620581 PRSDMMXLSSBOEI-UHFFFAOYSA-N 325.416 1.859 0 40 EDAB CCNC(=O)CNC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 65623573 MLXKUNCOKLLFSP-UHFFFAOYSA-N 347.806 1.664 0 40 EDAB COC(=O)[C@H](NC(=O)/C=C/c1cn(Cc2ccccc2)nn1)C(C)C 14200277 WPFGEKDOYCYWJU-OAGJVSPASA-N 342.399 1.653 0 40 EDAB Cc1cc(CNS(=O)(=O)c2ccc(Br)cc2)nn1C 14233026 ZYADHDLZNZXMHB-UHFFFAOYSA-N 344.234 1.970 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1ccc(N3CCCCC3=O)cc1)C2 71185961 FZYYMCBWXFBXFU-UHFFFAOYSA-N 339.399 1.759 0 40 EDAB Cc1cccc(NC(=O)CSc2nnc(-c3cc(C)n[nH]3)n2N)c1 9015078 LXDXAMXPVJECMG-UHFFFAOYSA-N 343.416 1.730 0 40 EDAB CCc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCSC3=O)CC2=O)cc1 9426625 WELPTIJBPBTBAF-GXTWGEPZSA-N 332.425 1.750 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 7307204 APPXBLYDLRYUGB-OAHLLOKOSA-N 348.380 1.137 0 40 EDAB OCCN1CCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 67960839 JSKNLRHDMULSRP-AWEZNQCLSA-N 348.365 1.055 0 40 EDAB COCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683615 ZSNODFKPFXPUJI-ZDUSSCGKSA-N 346.836 1.256 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(CNS(C)(=O)=O)n1 96009116 PUYDBXFFZRWJFN-SECBINFHSA-N 346.409 1.191 0 40 EDAB Cc1ccc(-c2noc(CN3CCO[C@@H](Cn4cncn4)C3)n2)cc1 70011797 KLOFOYWITOEZRQ-OAHLLOKOSA-N 340.387 1.538 0 40 EDAB NC(=O)[C@@H](CNC(=O)NCc1cccnc1)Cc1ccc(F)cc1 69379067 KVOUIRRIYJBVHB-CQSZACIVSA-N 330.363 1.364 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)CCN3CCOC3=O)C2)c1 69484589 UYNZRHXHMYETPJ-CQSZACIVSA-N 347.415 1.480 0 40 EDAB C[C@@H](Cc1ccccc1F)NC(=O)NCCCN1C(=O)CCC1=O 71879785 FGKPZLVOAWHDDR-LBPRGKRZSA-N 335.379 1.595 0 40 EDAB OC[C@@H]1CCCN1c1cc(NCc2ccc3c(c2)OCCO3)ncn1 71859434 JTXMAPIPYWOVMJ-AWEZNQCLSA-N 342.399 1.821 0 40 EDAB COc1ccc(-c2cnc(CN3CCN(C[C@H](C)O)CC3)o2)cc1 71877359 IQSZDFWQQZVHRA-AWEZNQCLSA-N 331.416 1.849 0 40 EDAB CN1CCCN(Cc2ccc(CNC(=O)c3nccn3C)cc2)CC1 71921817 JGWLHKRWQNTQEY-UHFFFAOYSA-N 341.459 1.488 0 40 EDAB O=C(NCCCN1C(=O)CNC1=O)N[C@@H]1CCCCc2ccccc21 72273323 BVIYPAYWCULOBR-OAHLLOKOSA-N 344.415 1.695 0 40 EDAB O=C(NC1CCN(CC(F)(F)F)CC1)c1cc2c([nH]c1=O)CCC2 84338778 ROHNQEFIMRKLCH-UHFFFAOYSA-N 343.349 1.620 0 40 EDAB COc1ccc(-c2ccc(=O)n(CN3CCN(C)CC3)n2)c(F)c1 72403447 WASPDQDTXMTXOE-UHFFFAOYSA-N 332.379 1.263 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N2CCN(C)c3cc(F)ccc32)c1C 72535266 GGDOORLCLWXUDE-UHFFFAOYSA-N 330.363 1.633 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N(CC)CC)c(C)c1 408620915 KIAVWTSPTSSPEE-UHFFFAOYSA-N 342.461 1.931 0 40 EDAB CC(=O)N1CC[C@H](NC(=O)NC[C@H]2C[C@@]23CCc2ccccc23)C1 95415769 ISBMEWLAHGWBCG-GJYPPUQNSA-N 327.428 1.811 0 40 EDAB Cc1cc(NC(=O)NCCNC(=O)c2cccn2C)cc2[nH]ncc12 95452767 RAGJYWPDBRBUSF-UHFFFAOYSA-N 340.387 1.761 0 40 EDAB C[C@@H]1CO[C@@H](CO)CN1c1ncnc2ccc(Br)cc12 95421451 HKUUZZATBTVFQA-MWLCHTKSSA-N 338.205 1.978 0 40 EDAB CN1CCC(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)CC1 95414318 DLABCRNZUWLPOR-RBUKOAKNSA-N 343.471 1.440 0 40 EDAB CCNC(=O)CNC(=O)N[C@@H](C)c1cnn(Cc2ccccc2)c1 95440362 JUHFJWUQCFKNMC-ZDUSSCGKSA-N 329.404 1.428 0 40 EDAB O=C(NC[C@H](O)COCC1CC1)NC[C@H]1C[C@]12CCc1ccccc12 88619460 UKZPPPIKHZHZCN-FUHIMQAGSA-N 344.455 1.977 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cnsn1 95978730 NILRUPFQTYIEDY-SNVBAGLBSA-N 340.767 1.866 0 40 EDAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(=O)[nH]n1 95978426 CXQHFKALORTLQC-VIFPVBQESA-N 336.754 1.571 0 40 EDAB O=C(CCn1ccccc1=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95998022 GWIQSIRMLFJGRJ-UHFFFAOYSA-N 349.394 1.580 0 40 EDAB Cc1noc(C)c1CN1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 95956241 DOLYZEUESWOBFB-QGZVFWFLSA-N 346.406 1.775 0 40 EDAB CC(C)C[C@H](C)S(=O)(=O)NCc1ccnc(N2CCOCC2)c1 74366975 ZAGJDHPXDDSICJ-AWEZNQCLSA-N 341.477 1.772 0 40 EDAB CCn1cc(S(=O)(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cn1 89309903 XCGOALTZAQOFPP-CYBMUJFWSA-N 348.428 1.266 0 40 EDAB Cc1ccc(NC(=O)CN2CC(OCC(=O)N(C)C)C2)c(Cl)c1 75093971 VBBYQBJYEVYJFQ-UHFFFAOYSA-N 339.823 1.376 0 40 EDAB O=C1CN(Cc2ccccc2)C2(CCN(C(=O)c3ccco3)CC2)N1 89834844 ZIKAULWJMDCABE-UHFFFAOYSA-N 339.395 1.844 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)s1 89962736 FVFXWVAZCYKGOT-KBPBESRZSA-N 338.429 1.404 0 40 EDAB 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CCN(Cc1ccccc1C)S(=O)(=O)C[C@@H]1C[C@@H]2COC[C@@H]2O1 1616037044 ALXATGGTDDNKRD-IKGGRYGDSA-N 339.457 1.951 0 40 EDAB CSCC[C@H](N[C@@H](CC(=O)c1ccc(C)cc1)C(=O)O)C(=O)O 12651538 YLFWSRFHTUMACM-STQMWFEESA-N 339.413 1.817 0 40 EDAB O=C(C[C@H]1CSc2nccc(=O)n21)Nc1ccc2c(c1)OCCO2 14031269 IJLDXMKASPFXSD-NSHDSACASA-N 345.380 1.690 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)NCCCN1CCOCC1 19874860 MMHSFXMGDMFMHV-UHFFFAOYSA-N 329.404 1.028 0 40 EDAB COCCCNC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937573 BEWUFBSNDAROHM-UHFFFAOYSA-N 335.791 1.786 0 40 EDAB CCc1cc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)ncn1 592454805 REIBCFLOVHGSRJ-UHFFFAOYSA-N 343.406 1.939 0 40 EDAB O=S1(=O)N=C(N2CCCN(c3ccncn3)CC2)c2ccccc21 1888850045 ZIZQPYJSLOXAAY-UHFFFAOYSA-N 343.412 1.138 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5ccncc5)C[C@H]4C3)n1)CCC2 1888866483 QOPKFIKPFQQTCT-HZPDHXFCSA-N 349.438 1.877 0 40 EDAB O=C(NCC1(O)CSCCSC1)c1ccc2nsnc2c1 1888921922 UPPDJEXNXUBBQA-UHFFFAOYSA-N 341.483 1.632 0 40 EDAB CC(C)c1ocnc1CN1CCC[C@@H](NS(=O)(=O)C2CC2)C1 1889118460 ZTDBODYGRATRIH-GFCCVEGCSA-N 327.450 1.844 0 40 EDAB Cc1cc(-c2ccc(C[C@H]3CCCN(S(C)(=O)=O)C3)cn2)n[nH]1 1848352102 AKTFRNBRRJXDTK-CQSZACIVSA-N 334.445 1.994 0 40 EDAB COC(=O)CNc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 21901313 DAHJIQRSCGUNTB-UHFFFAOYSA-N 326.418 1.755 0 40 EDAB O=C1C[C@H](C(=O)N2CCN(c3ncccn3)CC2)c2ccccc2N1 22019752 OZMBCGMBZDQPIC-AWEZNQCLSA-N 337.383 1.251 0 40 EDAB CNC(=O)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12 28255358 AVWQKPGCQHAHJL-UHFFFAOYSA-N 336.351 1.545 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H](C)Cn2cccn2)C1=O 31396697 LHQBQTNZWOABOO-KGLIPLIRSA-N 342.399 1.592 0 40 EDAB C[C@@H](C1CC1)N(CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CC1 31654111 VVSBCXAJBOPXNW-NSHDSACASA-N 337.445 1.535 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccccn2)c1 32657251 DCYIYTXNWRAVRB-UHFFFAOYSA-N 333.413 1.271 0 40 EDAB CCn1cc(CNC(=O)c2c(Br)cnn2CC)cn1 28234441 VDDBFNIHLLHMTB-UHFFFAOYSA-N 326.198 1.812 0 40 EDAB Cc1nccn1CC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037913011 KMPZNBAMYJFMNM-GOSISDBHSA-N 347.390 1.763 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 1565546751 JQTPAUQKZMVUQL-PASDCYSWSA-N 341.411 1.320 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCN(C(=O)C1(F)CC1)C2 1565553017 GSNXTAWLLVJYJE-YOEHRIQHSA-N 331.391 1.781 0 40 EDAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCc2ccccc2C1 424169 SRUFVOJGVWDHBB-UHFFFAOYSA-N 349.390 1.665 0 40 EDAB COc1ccc(-c2cc(CC(=O)N3CCOCC3)no2)cc1OC 12867414 BDHGDKKRLBCTHZ-UHFFFAOYSA-N 332.356 1.760 0 40 EDAB O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)N2CCCC2)C1 2055746298 LHYHWQDKGLQYTA-BFHYXJOUSA-N 345.403 1.110 0 40 EDAB O=C(c1cccc(Cl)n1)N1CC[C@]2(C[C@H](n3cnnc3)CO2)C1 2055837460 DIQKFIJWUDRBMR-NHYWBVRUSA-N 333.779 1.573 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCN(C[C@H](O)c2ccco2)CC1 30536449 JAGLBAHOFXZZSE-INIZCTEOSA-N 332.375 1.839 0 40 EDAB O=C(O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1F 40267131 WCDQZMGIXCECBS-AWEZNQCLSA-N 336.298 1.430 0 40 EDAB NC(=O)[C@H]1CCCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 40475871 PKEVZKXOGYYCLI-CMPLNLGQSA-N 347.242 1.930 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(OCC(F)(F)F)cc1 40508582 ITWVQXUWWNSPME-JTQLQIEISA-N 337.319 1.545 0 40 EDAB CN(Cc1cc(=O)n2nccc2[nH]1)C[C@H](O)COCc1ccccc1 101136769 YAIBROKJTOKQSJ-INIZCTEOSA-N 342.399 1.032 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](CNS(=O)(=O)C(C)C)C2)on1 51466991 VINODDKARIQEFX-GFCCVEGCSA-N 329.422 1.163 0 40 EDAB CCOc1ccc([C@@H]2C=C(C(=O)O)Nc3nnnn32)cc1OCC 101675642 PQWZSZNBXRDSJJ-NSHDSACASA-N 331.332 1.454 0 40 EDAB O=C(O)C1=C[C@H](c2c[nH]nc2-c2ccc(F)cc2)n2ncnc2N1 102171717 BUQKPELVEAGJLW-GFCCVEGCSA-N 326.291 1.791 0 40 EDAB O=C(Nc1ccccc1)C1CCN(C(=O)Cn2cccnc2=O)CC1 32714524 ONHOEMHQPOZHFL-UHFFFAOYSA-N 340.383 1.121 0 40 EDAB Cc1ccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)c(C)c1 32876449 YSUFYADMCXBZMR-UHFFFAOYSA-N 327.384 1.820 0 40 EDAB CN(C)c1cccc([C@H]2CCCN2C[C@H](O)CN2CCCC2=O)c1 75838370 AWZQNDQEHASRHR-ZWKOTPCHSA-N 331.460 1.873 0 40 EDAB CCCN1CCC(NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)CC1 78973801 SQUOMQPHJLKXDA-OAHLLOKOSA-N 333.480 1.869 0 40 EDAB Cc1cc(S(=O)(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)ccc1F 79110958 UGNUSNIRGOAFDF-LLVKDONJSA-N 349.449 1.720 0 40 EDAB C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)Nc1ccc2ccccc2c1 2555410 XJJJPMOPFLKYID-HZMBPMFUSA-N 329.356 1.085 0 40 EDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccccc1Br 4904585 CDZSMHMQEAUHBO-VIFPVBQESA-N 327.178 1.683 0 40 EDAB COCCNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)cs1 6680693 RIOAQVMPZDCRAS-UHFFFAOYSA-N 346.474 1.545 0 40 EDAB CCN1CCN(C2CCN(CCC(=O)Nc3cc(C)on3)CC2)C1=O 69696582 HLMHIDLHPZBRKO-UHFFFAOYSA-N 349.435 1.534 0 40 EDAB COCCNC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 8301044 MJBATNMHAHJJMS-CYBMUJFWSA-N 328.434 1.221 0 40 EDAB O=C(CN1CCN(Cc2cc(-c3ccco3)on2)CC1)N1CCCC1 22787621 VWXCLACGAHTTJI-UHFFFAOYSA-N 344.415 1.675 0 40 EDAB O=C(NCCNc1ncccn1)N1CCO[C@H](c2ccc(F)cc2)C1 47057554 MOUOJXADZAQMKN-HNNXBMFYSA-N 345.378 1.811 0 40 EDAB Cc1cccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1C 916306 BYHBQOOIDSPCAU-UHFFFAOYSA-N 347.440 1.781 0 40 EDAB COc1ccc(CNC(=O)c2cccc(-n3cnnn3)c2)cc1OC 12389717 HBUFXCDDMFJENG-UHFFFAOYSA-N 339.355 1.610 0 40 EDAB NS(=O)(=O)c1ccc(CC(=O)NCCOc2ccccc2)s1 24624994 SVVAKMBQPUINBB-UHFFFAOYSA-N 340.426 1.133 0 40 EDAB Cc1cc2cc(CN3CCN4C(=O)C(=O)NC[C@H]4C3)oc2cc1C 91866571 ZCQBKYBCQSPDJZ-AWEZNQCLSA-N 327.384 1.192 0 40 EDAB O=C(NCCc1cccc2cccnc12)N[C@H]1CCS(=O)(=O)C1 47594781 GKVILJZVQHZVEG-AWEZNQCLSA-N 333.413 1.264 0 40 EDAB O=C(Cc1cn2ccccc2n1)N1CCC[C@@H](CN2CCOCC2)C1 69742591 BALXHVBZUMOCSC-INIZCTEOSA-N 342.443 1.448 0 40 EDAB O=C(NC1CCN(C(=O)CCn2cncn2)CC1)c1ccc(F)cc1 25216461 VROJHQYQCFMTID-UHFFFAOYSA-N 345.378 1.228 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC1CCN(c2ccccn2)CC1 56060272 QSFFOYCNHSZPFG-UHFFFAOYSA-N 336.417 1.634 0 40 EDAB C[C@H](Sc1nc(=O)c2c3c(sc2[nH]1)CN(C)CC3)C(=O)O 51330896 CIWJYCQXZIRPKN-LURJTMIESA-N 325.415 1.538 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cc(C2CC2)on1 25759931 SLSZBGIEGFFJKI-UHFFFAOYSA-N 328.372 1.714 0 40 EDAB O=c1cc(CN2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)occ1O 107362650 IVQUOKWIULWCPW-VQIMIIECSA-N 342.395 1.431 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(=O)[nH]1 26310829 HXPOZZWKSLSJBB-WBMJQRKESA-N 335.429 1.062 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)[C@H]1CCOC1 108084737 WUGLHGFVUBSLOQ-WBVHZDCISA-N 338.473 1.702 0 40 EDAB Cc1nn2c(=O)cc(CN3CCCC[C@@H]3Cn3cccn3)nc2s1 69703058 IVSWJHKDMOJBNI-CQSZACIVSA-N 344.444 1.711 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69774052 IGKMDDIVKPSPGS-HRCADAONSA-N 342.480 1.122 0 40 EDAB Cc1cc(NC(=O)CN(C)C(=O)Cn2nc(C)c(Cl)c2C)no1 57444369 ZMAYYRBQLDWLTQ-UHFFFAOYSA-N 339.783 1.547 0 40 EDAB Cc1noc(C)c1C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccnn1C)C2 100210466 OINAZBLIMDHWBF-STQMWFEESA-N 330.388 1.680 0 40 EDAB CC1CCN(S(=O)(=O)NCc2ccccc2Cn2cncn2)CC1 26862711 LGSPMDPSJLFNIL-UHFFFAOYSA-N 349.460 1.393 0 40 EDAB COC(=O)c1cc(NC(=O)CNC(=O)c2ccccc2)ccc1F 27188318 MYUWXKVBXWFEIP-UHFFFAOYSA-N 330.315 1.981 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)Cc4ccccc4)CC3)ncnc21 97134884 BQOVXWODDILNKM-UHFFFAOYSA-N 336.399 1.255 0 40 EDAB COc1ccc(CCC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1OC 44718828 WHSVXCYRKGHSNF-ZDUSSCGKSA-N 341.429 1.187 0 40 EDAB C[C@]1(c2ccccc2F)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O 58194629 RCCLLVOAXCXLJC-GOSISDBHSA-N 341.342 1.892 0 40 EDAB O=C(NCc1cc(-c2ccccc2)no1)NC[C@@H]1CCS(=O)(=O)C1 44968237 ZEWYBAIWNQBMLS-LBPRGKRZSA-N 349.412 1.576 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2COc3ccccc3C2)C1 44934786 PEQSWQHHCXBHRZ-CABCVRRESA-N 326.400 1.772 0 40 EDAB O=C(CCc1nc(-c2cccnc2)no1)NC[C@@H]1CCN(C2CC2)C1 44939823 HTUKDTNDACGFCE-ZDUSSCGKSA-N 341.415 1.665 0 40 EDAB Cc1cccc(C)c1OCCNC(=O)c1cnc2n(c1=O)CCS2 44942530 QMKBVZSNNWZVFF-UHFFFAOYSA-N 345.424 1.775 0 40 EDAB CCNC(=O)CN1CCN(C(=O)CCNc2ccccc2C)CC1 58341689 WTBZZFVEPBXKCZ-UHFFFAOYSA-N 332.448 1.077 0 40 EDAB Cn1nccc1C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 58393062 IWCGHBGKSIDSIM-UHFFFAOYSA-N 329.429 1.869 0 40 EDAB COCCOc1ccc(CNCc2c(C)nn(C)c2N(C)C)cn1 58405348 ZQKIILUNIOUPLU-UHFFFAOYSA-N 333.436 1.505 0 40 EDAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](C(N)=O)C2)no1 48037899 PJJQLQPMQMGUBL-ZFWWWQNUSA-N 328.372 1.470 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 22233950 XMWDQWBTMRNEHP-UHFFFAOYSA-N 328.368 1.943 0 40 EDAB Cn1nc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)ccc1=O 11361503 WJVHJBOOSZYNAR-UHFFFAOYSA-N 338.323 1.878 0 40 EDAB CNC(=O)CN(C)c1cnn(-c2ccc(F)cc2F)c(=O)c1Cl 48251946 XBDWFSCTMSTVOK-UHFFFAOYSA-N 342.733 1.346 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cccc(-n3cccc3)c2)C1 29191993 WLQFVDOSQSLRAG-OAHLLOKOSA-N 347.440 1.631 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 29190337 VXLVAEGATFSKKO-KBPBESRZSA-N 340.445 1.303 0 40 EDAB CCN1C[C@H](C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)CC1=O 46166111 NLQJDIIIJDOWIE-UKRRQHHQSA-N 341.415 1.655 0 40 EDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 3460379 ZBWLFNIMANWFDD-LJQANCHMSA-N 337.379 1.770 0 40 EDAB COC(=O)c1cccc(OC(=O)c2nn(C)c(=O)c3ccccc23)c1 13140809 RYKQVIBNEZFWLE-UHFFFAOYSA-N 338.319 1.939 0 40 EDAB Cc1cc(N2CC[C@H](Sc3nnnn3C3CCCC3)C2=O)n(C)n1 172913384 JATNABNYZZLXJJ-LBPRGKRZSA-N 347.448 1.728 0 40 EDAB COc1cc(C(=O)N2CCCN(C(C)=O)CC2)cc2c1OCCO2 65403079 LWJUGEWBHKWHJZ-UHFFFAOYSA-N 334.372 1.161 0 40 EDAB Cc1csc(N2CCCN(c3ncnc4c3CN(C)CC4)CC2)n1 65465898 DDMJKWJIMZSFIS-UHFFFAOYSA-N 344.488 1.946 0 40 EDAB CN1CCC(NS(=O)(=O)c2cccc(Br)c2)CC1 6887196 KGLUHJYUGWDGKS-UHFFFAOYSA-N 333.251 1.822 0 40 EDAB C/C(NCCc1cnc[nH]1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 6904192 JRCQGHPZYCXPJQ-SDNWHVSQSA-N 339.355 1.099 0 40 EDAB CCCNC(=O)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 80058030 KBVGXISJCXCICJ-WBVHZDCISA-N 346.475 1.865 0 40 EDAB CCCCNS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC 7308654 KGYPLUOKYDKYSJ-UHFFFAOYSA-N 349.430 1.708 0 40 EDAB COc1ccc(CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1OC 80770833 BHXPUYBQZXWAQB-AWEZNQCLSA-N 348.321 1.913 0 40 EDAB C[C@@H](CNC(=O)Nc1ccc(-n2cncn2)c(F)c1)N1CCOCC1 68557580 GGKHFCBUQRJIAY-LBPRGKRZSA-N 348.382 1.249 0 40 EDAB O=C(N1CCOCC1)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 96000580 ULDGBXBRYQSMCE-AWEZNQCLSA-N 344.371 1.562 0 40 EDAB CN1CCN(C[C@@H](Nc2ncnc3[nH]ncc23)c2ccccc2)CC1 68910539 JOVASTBDWCNAMA-MRXNPFEDSA-N 337.431 1.754 0 40 EDAB O=C1Cc2ccccc2N1CCNS(=O)(=O)Cc1cccc(F)c1 68909209 NVYQVZHIOXMACT-UHFFFAOYSA-N 348.399 1.834 0 40 EDAB O=C(CSc1nnc(CN2CCCCC2)o1)NC(=O)NC1CC1 8246158 NGBANORIFMHFJX-UHFFFAOYSA-N 339.421 1.136 0 40 EDAB Cc1cc([C@@](C)(O)CNC(=O)C2(O)Cc3ccccc3C2)c(C)o1 81818154 BKNBESUHAKJGNB-SFHVURJKSA-N 329.396 1.750 0 40 EDAB O=C(CN1CCO[C@@H](Cn2cccn2)C1)N1CCCc2ccccc21 69375432 PKGLTSIWRSTCKD-QGZVFWFLSA-N 340.427 1.563 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)Nc1nc(CC(=O)OC)cs1 69372603 GSCYTUXTKPWHBN-NSHDSACASA-N 339.417 1.588 0 40 EDAB Cc1ccc2nc3sc(C(=O)N4CCN(C)CC4)cc3c(=O)n2c1 17122386 XQPBAHYAEURDES-UHFFFAOYSA-N 342.424 1.605 0 40 EDAB C/C(=C\C(=O)NCCCN(C)S(C)(=O)=O)c1ccc(F)cc1 96313742 QFBYXSBAIAOVFT-VAWYXSNFSA-N 328.409 1.627 0 40 EDAB C[C@H](NC(N)=O)C(=O)NCc1cccnc1OCc1ccccc1 71821545 XMVLTZAKJPXYIB-LBPRGKRZSA-N 328.372 1.334 0 40 EDAB CCc1ccccc1OCC(=O)NC1CCN([C@H]2CCOC2)CC1 83827779 NUEPXWNLGHTIJO-KRWDZBQOSA-N 332.444 1.997 0 40 EDAB O=C(NCCc1ccc(F)cc1F)NC[C@H]1CC(=O)N(C2CC2)C1 96500344 KVWJYLZPXFKHTQ-LLVKDONJSA-N 337.370 1.817 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3cc4c(F)cccc4[nH]3)CC2)no1 71900247 HEIJTHHTOHRLIL-UHFFFAOYSA-N 343.362 1.956 0 40 EDAB CCOc1cccc(NC(=O)N2CCN(C[C@@H]3COCCO3)CC2)c1 71911795 PMQYSWWJKKCBFD-QGZVFWFLSA-N 349.431 1.650 0 40 EDAB NC(=O)C[C@@H]1COCCN1C(=O)CCSCc1ccc(F)cc1 72474460 YPBYTLIQYXRBKO-CQSZACIVSA-N 340.420 1.552 0 40 EDAB Cc1nc(CN2CCN(CC(=O)Nc3ccccc3F)CC2)n[nH]1 97034145 CFENLRZWMGMKGB-UHFFFAOYSA-N 332.383 1.009 0 40 EDAB CNC(=O)CN1CCC(CN(C)[C@H]2Cc3ccccc3[C@@H]2O)CC1 97034119 OLZXTESLNGFATI-HKUYNNGSSA-N 331.460 1.035 0 40 EDAB OC[C@H]1CCCN1c1cc(NC[C@H](O)Cc2ccccc2)ncn1 72276286 NZQLFGPXOXULEK-HZPDHXFCSA-N 328.416 1.453 0 40 EDAB O=C(CN1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1)C1CC1 95398843 YUHPQOCYNAERQG-LJQANCHMSA-N 342.439 1.814 0 40 EDAB CCc1noc(CN(C)C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)n1 95396111 IEZPHRHPEAVCQR-CXAGYDPISA-N 342.399 1.810 0 40 EDAB CCOc1cc(C(=O)N2C[C@@H](CC)[C@@H](N3CCOCC3)C2)ccn1 84736110 CFOZCWHPIYQKAE-ZBFHGGJFSA-N 333.432 1.663 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(F)cc3[nH]cnc23)C[C@H]1N1CCOCC1 84736004 OWASEJNTPUNSCL-MLGOLLRUSA-N 346.406 1.885 0 40 EDAB O=S(=O)(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccccc1F 95436040 FOQCJRHYGNLRMS-UKRRQHHQSA-N 339.388 1.589 0 40 EDAB Cc1cc(C)cc(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)c1 22911999 ZBMQLYCBCIYXTB-UHFFFAOYSA-N 344.459 1.138 0 40 EDAB CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)CCCC3)O1 95460102 FKGQUHGHGNZZRF-IRXDYDNUSA-N 330.428 1.931 0 40 EDAB CCN1CCCN(C(=O)NCC[S@](=O)Cc2ccccc2)CC1 95427792 NJNGYRXIJKPFQN-HSZRJFAPSA-N 337.489 1.673 0 40 EDAB C[C@@](O)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1)C(F)(F)F 95445077 DUCLFNIIDDLMND-TVQRCGJNSA-N 334.294 1.314 0 40 EDAB Cn1nccc1CCNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 95940955 VJMVIPHYPAAYCX-INIZCTEOSA-N 332.448 1.650 0 40 EDAB Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(=O)[nH]1 75118243 HBLWJCPWCDBVPL-LBPRGKRZSA-N 348.424 1.920 0 40 EDAB NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1cn(Cc2ccccc2)nn1 89841051 ZVQFFPJBBQKUCQ-HUUCEWRRSA-N 341.415 1.490 0 40 EDAB Cc1cc(N2Cc3ccnn3[C@H](CCN(C)C)C2)n2ncnc2n1 306123794 AWXJFYVPKPHONC-CQSZACIVSA-N 326.408 1.142 0 40 EDAB COc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)c1 408505121 WCNGYDPGKWTDLC-UPJWGTAASA-N 325.386 1.376 0 40 EDAB N[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218643757 UDJUFVUGHYDEHN-IJEWVQPXSA-N 335.356 1.548 0 40 EDAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CN1CCOCC1 36610856 YZRQMPQBKRVBBJ-AEFFLSMTSA-N 329.444 1.462 0 40 EDAB NC(=O)c1nnn(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)n1 70999019 XRXDXCAVKXJBLI-UHFFFAOYSA-N 344.281 1.292 0 40 EDAB CCNc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)O 217706301 DLOFFCCPZLCGRE-UHFFFAOYSA-N 344.433 1.910 0 40 EDAB CN(C)Cc1cc(N(C)C)nc([C@@H]2CCCN(c3ncccn3)C2)n1 72352022 SLDRFHHQOSRSMA-CQSZACIVSA-N 341.463 1.778 0 40 EDAB CC(=O)NC[C@@H]1CN([C@@H](C(=O)O)c2cccc(Cl)c2)CCO1 566360430 ZKSXQWXSDGZREV-ZIAGYGMSSA-N 326.780 1.303 0 40 EDAB COc1ccc(OCc2cn(CC(=O)Nc3cnn(C)c3)nn2)cc1 227168116 OIMLCCMJHZYPIM-UHFFFAOYSA-N 342.359 1.238 0 40 EDAB COc1ccc(S(=O)(=O)NCCSc2ncn[nH]2)cc1Cl 222979365 DVBVQVZTJUYACH-UHFFFAOYSA-N 348.837 1.537 0 40 EDAB Cc1cc(=O)[nH]c(C2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)n1 225314757 RHERJZMMFTUNRG-UHFFFAOYSA-N 348.428 1.229 0 40 EDAB CC(C)C[C@H](C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C)N1CCCCC1=O 195537601 LCTJCNUZOALPNV-SONXGWPDSA-N 342.505 1.782 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)Nc1cnc2ccnn2c1 225576183 DPKYVMJNJQAUGW-UHFFFAOYSA-N 338.370 1.378 0 40 EDAB O=C(NCCCn1nc2n(c1=O)CCCC2)NC(C1CC1)C1CC1 45437608 JSXVCUHQOIIONE-UHFFFAOYSA-N 333.436 1.259 0 40 EDAB CC(C)(C)c1cc(C(=O)NCc2ccnc(F)c2)nc2ncnn12 1587362311 GEAQBMGSNJQTJI-UHFFFAOYSA-N 328.351 1.886 0 40 EDAB Cc1cc(=O)c(OCC(=O)N2CCO[C@H](c3ccccc3)C2)c[nH]1 95477296 MMRRFMYFNGVKLC-KRWDZBQOSA-N 328.368 1.662 0 40 EDAB Cn1cc(-c2nnn3c2CO[C@@H](CNCc2cccs2)C3)cn1 96061006 KWVXCEJAQKRTMG-LBPRGKRZSA-N 330.417 1.429 0 40 EDAB Cn1cccc1C(=O)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 96202325 KCESKTUYZINKMD-GOSISDBHSA-N 341.415 1.184 0 40 EDAB COc1cc(N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)ncn1 96219217 DUIKVHYVFQKDLB-CQSZACIVSA-N 348.447 1.633 0 40 EDAB COc1ncccc1C(=O)N1CC[C@H]2C[C@H](c3ccncn3)O[C@@H]2C1 96046149 MQZLPUHNGJGYBD-APHBMKBZSA-N 340.383 1.873 0 40 EDAB Cc1cc(CN2C[C@H]3[C@H](CC(=O)NCC4CC4)COC[C@H]3C2)no1 96040822 RRTSUQRFGMUTGM-INMHGKMJSA-N 333.432 1.594 0 40 EDAB O=C(CCNCc1cc[nH]n1)N1CCN(c2ccc(F)cc2)CC1 237826155 WGVFKOYGZKGEPM-UHFFFAOYSA-N 331.395 1.377 0 40 EDAB O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCCO1 96445580 OJYMCJOLCMZYGF-QGZVFWFLSA-N 330.428 1.763 0 40 EDAB CNC(=O)CN1CCOC[C@@]2(CCCN(Cc3cccs3)C2)C1 96049478 JCVPFMXOUAFIIZ-QGZVFWFLSA-N 337.489 1.409 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2S(=O)(=O)C2CC2)N1Cc1cccnc1 96186366 UUFWGVZHNRBFHD-GJZGRUSLSA-N 335.429 1.139 0 40 EDAB COCCNC(=O)Cc1cn2c(n1)[C@H](C)N(Cc1ccsc1)CC2 247832918 IFNFEVGBXAGDQQ-ZDUSSCGKSA-N 348.472 1.827 0 40 EDAB O=C(N[C@]1(C(=O)O)CCSC1)[C@@H]1Cc2cc(Cl)ccc2O1 43509722 BKSDWYFAXUJCKI-SMDDNHRTSA-N 327.789 1.720 0 40 EDAB CCN1CC[C@H](NC(=O)NCCO)[C@H]1c1cc(F)c(F)c(F)c1 253370430 QVLZVPMEGSMOKG-GXTWGEPZSA-N 331.338 1.531 0 40 EDAB Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCN(C)[C@H](C(N)=O)C1 257241559 HYNSKGMLVWLAHQ-HNNXBMFYSA-N 348.834 1.300 0 40 EDAB Cc1cc(C)n(CCCC(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)n1 257308738 TXXKIHSVUDVBEV-ZHALLVOQSA-N 348.491 1.726 0 40 EDAB C[S@](=O)C1(C(=O)O)CCN(C(=O)c2cccc3c2CCC3)CC1 585134399 QPTQGIAKQBFGHH-QHCPKHFHSA-N 335.425 1.613 0 40 EDAB CC(C)OCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 585145922 AVEKIEPGPRAQBQ-QGZVFWFLSA-N 330.428 1.987 0 40 EDAB Cc1cccc(S(=O)(=O)Nc2[nH]nnc2C(=O)N2CCCC2)c1 585128940 RRRZKSDIHZHNGP-UHFFFAOYSA-N 335.389 1.150 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H]1CC(C(F)(F)F)=NO1 585115388 YJOWHOAPZWINKU-MRVPVSSYSA-N 340.327 1.022 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)CCOc2ccccc2)CCN1C(C)C 257313490 USTJROJUQXUIQJ-INIZCTEOSA-N 333.432 1.123 0 40 EDAB O=C(c1ccc2[nH]nnc2c1)N1CCOC[C@@H]1CCc1cnccn1 257314623 UXSXBAFDXLFYCZ-AWEZNQCLSA-N 338.371 1.222 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)c3cncnc3)CCO2)ccn1 257226501 FKWLDVKPHQBGJJ-MRXNPFEDSA-N 341.415 1.411 0 40 EDAB Cc1ncncc1C(=O)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257234430 GTNBVHLMVJSJAA-HOTGVXAUSA-N 338.367 1.041 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1cnn(C)c1 257276183 NSRGMLPPKLAGNV-HNNXBMFYSA-N 342.403 1.132 0 40 EDAB Cc1ncccc1C(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257217334 CYNDDBOEHIXPSK-HNNXBMFYSA-N 326.400 1.841 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2cccnc2)n1 257331944 XUZMAVPLBDTJJQ-INIZCTEOSA-N 325.372 1.485 0 40 EDAB Cn1ccc(CN2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)n1 257203955 ASJDDFZIAMVNJQ-IAGOWNOFSA-N 326.400 1.032 0 40 EDAB CCCC(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)O)[C@H]2CCCOC2)C1 262753450 JOGDJIYQKZKIOE-KCQAQPDRSA-N 340.420 1.021 0 40 EDAB CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C)N1Cc1cccnc1 73571 KMQUBFMDUWLRTE-UHFFFAOYSA-N 340.408 1.532 0 40 EDAB COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)c1cccc(Cl)c1F 276992910 FHNMQOATIVGGMV-SNVBAGLBSA-N 339.772 1.070 0 40 EDAB CCNc1ncc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F 1615045980 NHGFYEKXHJSRCV-UHFFFAOYSA-N 339.339 1.553 0 40 EDAB C[C@@](O)(CNC(=O)c1cccc(-c2cnco2)c1)CN1CCOCC1 1615557143 HIVWAEDHJDJJDY-GOSISDBHSA-N 345.399 1.155 0 40 EDAB COC[C@]1(C(=O)OC(C)(C)C)CCCN1C(=O)[C@H]1CCCCO1 600133086 JTWPYTSGDZOMAU-DYVFJYSZSA-N 327.421 1.905 0 40 EDAB Cc1ccc([C@]2(C)CC(=O)N(Cc3nnc4n3CCOC4)C2=O)cc1 280722512 JAZAYFSREZEGBU-SFHVURJKSA-N 340.383 1.334 0 40 EDAB CN(C)c1ccc([C@H](O)CNC(=O)c2ccc3c(c2)OCO3)cc1 90611703 PNDJIKLXPCKHPD-OAHLLOKOSA-N 328.368 1.945 0 40 EDAB CC(C)(C)OC(=O)[C@]1(C(=O)N[C@H]2CS(=O)(=O)C2(C)C)CC1(C)C 603083895 RLEXBXFTGCNXQN-MGPLVRAMSA-N 345.461 1.436 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1 96122027 UKNZMOROCYCILU-UHFFFAOYSA-N 345.486 1.747 0 40 EDAB CCCc1nnsc1C(=O)N1CC(S(=O)(=O)CC(C)C)C1 96121968 YZAYHYZCNFLTMI-UHFFFAOYSA-N 331.463 1.386 0 40 EDAB O=c1ccc(C2CC2)nn1CCNS(=O)(=O)c1cccs1 575609099 RUKXPFYZXFQFNV-UHFFFAOYSA-N 325.415 1.161 0 40 EDAB CC(C)NC(=O)[C@H]1CCC2(CCN(C(=O)Cc3ccn(C)n3)CC2)O1 585113446 IFPNJFZNMCEQAG-OAHLLOKOSA-N 348.447 1.027 0 40 EDAB CN(Cc1ccncc1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 46045014 GQNOVSXEPJPSKU-UHFFFAOYSA-N 345.424 1.676 0 40 EDAB Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)O)c2ncccc2c1 681588769 NBBPRONPDWSBNV-GFCCVEGCSA-N 336.369 1.017 0 40 EDAB COc1cccc([C@@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)c1 57399395 MUUKOVLHOPXRSH-INIZCTEOSA-N 329.400 1.430 0 40 EDAB Cn1ccnc1CN1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 69443424 AAOMNJQAASOAOL-MRXNPFEDSA-N 336.386 1.550 0 40 EDAB O=C1O[C@@H](C(=O)N2CCC(c3nc[nH]n3)CC2)Cc2ccccc21 82978746 XRXIAFYAXGPYGE-CQSZACIVSA-N 326.356 1.292 0 40 EDAB Cc1cc(=O)n2ccn(Cc3cccc(S(=O)(=O)N(C)C)c3)c2n1 569795677 FHOATSSNQALEEK-UHFFFAOYSA-N 346.412 1.103 0 40 EDAB COCC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 172343608 JGAZBPRPAUAKTJ-AWEZNQCLSA-N 348.321 1.548 0 40 EDAB O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NC1CCCC1 1548925277 KWQAWLGHOJTOHL-RCCFBDPRSA-N 328.416 1.606 0 40 EDAB CCOC(=O)N1CCc2nc(NC(=O)c3ccnn3C)sc2C1 11695089 PISQAPZUFWDGDP-UHFFFAOYSA-N 335.389 1.644 0 40 EDAB CCOCCCNC(=O)Cn1nc(C)n2c(cc3ccsc32)c1=O 12114230 MWJDMXFAKXTBKV-UHFFFAOYSA-N 348.428 1.562 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(Cl)cc2)n[nH]1 12525487 GNDRGDABVIAFOD-NSHDSACASA-N 339.804 1.647 0 40 EDAB CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1ccncc1 12667524 VROHGNXCTIWHOM-ZDUSSCGKSA-N 330.413 1.554 0 40 EDAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCc1ccc(F)cc1 15393198 SMSULGRXDGQTNZ-GFCCVEGCSA-N 341.346 1.885 0 40 EDAB COC[C@@H](C)N(Cc1ccccc1F)C(=O)c1cc(=O)[nH]c(C)n1 19240917 WJEQXYMIWBCKEK-LLVKDONJSA-N 333.363 1.895 0 40 EDAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(Cc2ccccn2)C1 19573259 COVOHNJTBUTQLH-LLVKDONJSA-N 338.458 1.716 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NC[C@H]1CCCO1)=N[C@@H]2c1cccnc1 101983211 UYGMGFSNXFXIQK-HIFRSBDPSA-N 340.387 1.044 0 40 EDAB COC[C@](C)(CNS(=O)(=O)c1cccc2nsnc12)OC 575612512 MUDLDNTYEXRMIQ-LBPRGKRZSA-N 331.419 1.021 0 40 EDAB Cc1cc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)n2nccc2n1 1888888348 YCJIUPKLUYWZCU-GASCZTMLSA-N 347.378 1.664 0 40 EDAB CCOCC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1142825904 CMKPFLATMQHWTM-UHFFFAOYSA-N 332.400 1.448 0 40 EDAB C[C@H](C(=O)N1CCOCC1)N1CCC(NC(=O)c2ccccc2)CC1 25826438 HGKYWPAMBOVVGS-OAHLLOKOSA-N 345.443 1.128 0 40 EDAB O=S(=O)(CCN1CCC2(CC1)OCCO2)c1ccc(Cl)cc1 28077825 OKLRXTFGKRTEIF-UHFFFAOYSA-N 345.848 1.953 0 40 EDAB Cc1cnn(CC(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)C2)c1 2037913182 XXFJBWGFWMHPJO-SFHVURJKSA-N 347.390 1.763 0 40 EDAB Cc1nc(C)c(C(=O)N2CCO[C@]3(CCCCN(C)C3=O)C2)s1 2037985777 VYGRIXZDRLPYPV-MRXNPFEDSA-N 337.445 1.613 0 40 EDAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)C3(F)CCC3)CC2)C1 1565544145 OHIKUZSRCOQNRQ-ZDUSSCGKSA-N 326.412 1.801 0 40 EDAB Cn1c(=O)c2c(SCCc3ccccc3)ccnc2n(C)c1=O 4942249 SUCGFCBDLVMURE-UHFFFAOYSA-N 327.409 1.967 0 40 EDAB O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1ccc2c(c1)OCO2 4941481 ANWJUGHLMFLHAF-GFCCVEGCSA-N 348.355 1.156 0 40 EDAB Cc1cc(-c2nnc(NC(=O)[C@H]3COc4ccccc4O3)o2)n(C)n1 13614731 FKQXQOAXHODBLD-CYBMUJFWSA-N 341.327 1.557 0 40 EDAB COc1ccc(-c2nnc(SCc3ccon3)n2N)cc1OC 15082817 OETSRYWXIHXELG-UHFFFAOYSA-N 333.373 1.956 0 40 EDAB O=C(c1cc[nH]n1)N1CCN2CCc3c(ncn3CC3CC3)[C@H]2C1 2055746476 LCYMMUYRLWEHMD-OAHLLOKOSA-N 326.404 1.071 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2cccc(C)c2)CC1 2055747077 DBHTWLRKHJEMQQ-UHFFFAOYSA-N 341.459 1.921 0 40 EDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)C2CC(F)C2)C1 2055750915 LSQQGMACXRELLA-YUNLISADSA-N 337.370 1.703 0 40 EDAB CN(C)Cc1noc2c1C[C@H](NC(=O)COc1ccc(F)cc1)CC2 2055734526 GWBATEHTYHJJSX-CYBMUJFWSA-N 347.390 1.928 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@@H](N2C(=O)COC2=O)C1 225700136 MCNHVQYAAIURRN-FXMSTWTQSA-N 344.323 1.008 0 40 EDAB O=C(NCC[C@H](CCO)c1ccsc1)C(=O)NCc1ccco1 575606686 IVEZDOXDFNKUDN-GFCCVEGCSA-N 336.413 1.630 0 40 EDAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N2CCCC2)c1OC 167120 FOKRLJVWBZPTRA-AATRIKPKSA-N 341.385 1.586 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 40266315 ZIYOSXIOMUBTIC-LLVKDONJSA-N 344.337 1.639 0 40 EDAB CCCCn1nnnc1CN1CCN(C(=O)N2CCCCC2)CC1 40487895 YTEDZKGRNNRFTA-UHFFFAOYSA-N 335.456 1.197 0 40 EDAB COc1ccc(OC[C@H](O)Cn2c(=O)cnc3ccccc32)cc1 31560623 KYPSPABXMCVRHU-CYBMUJFWSA-N 326.352 1.845 0 40 EDAB COc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 100702678 SRXBLSQGWFGQJX-WQVCFCJDSA-N 331.368 1.386 0 40 EDAB CC(C)N(CCCNC(=O)c1cn2ccccc2n1)S(C)(=O)=O 40535305 RNQKYBGXTAAVQB-UHFFFAOYSA-N 338.433 1.124 0 40 EDAB CC(C)N1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 40500929 CCYRIXMHBINOMS-MRXNPFEDSA-N 328.420 1.010 0 40 EDAB COC(=O)c1sccc1NC(=O)N1CCC[C@H](CNC(N)=O)C1 40554326 NRLILNPIGQPZLI-SECBINFHSA-N 340.405 1.447 0 40 EDAB C[C@H](C(=O)NCc1ccc(OC[C@@H]2CCCO2)cc1)n1cncn1 40534230 OSPMULPYTFIOHA-CJNGLKHVSA-N 330.388 1.713 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)Cc1ccccc1F 40528440 SNUNFPNIVFCMQC-DGCLKSJQSA-N 329.393 1.424 0 40 EDAB CN(C)c1cc(CNS(=O)(=O)c2ccc3c(c2)CCO3)ccn1 40512749 YZQZMIWTYAVAQV-UHFFFAOYSA-N 333.413 1.561 0 40 EDAB CCOc1ncccc1CNC(=O)[C@@H]1CCCN(C(=O)C(C)C)C1 40508832 QQVVYTJLNWWXDM-OAHLLOKOSA-N 333.432 1.991 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)C1CCN(c2ncccn2)CC1 40548534 ZKKVRRZUCRUSDZ-MRXNPFEDSA-N 338.411 1.813 0 40 EDAB Cn1c2ccccc2c2ncn(CCCN3CCOCC3)c(=O)c21 20517627 JBWFQVOWADATKL-UHFFFAOYSA-N 326.400 1.611 0 40 EDAB CN1[C@H]2CCC[C@H]1CC(NC(=O)NCCCCn1ccccc1=O)C2 101388345 APPXBEPIMXHZBK-IRXDYDNUSA-N 346.475 1.943 0 40 EDAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)NC1CCCC1 20731400 IIDIUAOXVRQDDY-UHFFFAOYSA-N 342.399 1.073 0 40 EDAB O=C([C@H]1CCC(=O)N1C(=O)OCc1ccccc1)N1CCOCC1 14110 CUKCPKKJUTTZPV-CQSZACIVSA-N 332.356 1.173 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccccc2Br)CC1 69979501 YDOGQYTXLDWICW-LBPRGKRZSA-N 341.249 1.978 0 40 EDAB CN1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 77817330 QLXBYYPGTHSSBU-SECBINFHSA-N 347.312 1.851 0 40 EDAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1cccc(C(F)(F)F)c1 8756237 CUGABIYOABWELV-UHFFFAOYSA-N 327.262 1.584 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(Cc3nnsc3Cl)C2)n[nH]1 78900567 WWXNRJXPAVZCKY-ZETCQYMHSA-N 326.813 1.393 0 40 EDAB CN1C[C@H](NC(=O)c2ccc(-c3nc(C4CC4)n[nH]3)cc2)CC1=O 79000415 GJLGEIDQCZSLPJ-CYBMUJFWSA-N 325.372 1.310 0 40 EDAB NC(=O)CN(CCS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1 52826320 HHLQISSATOMKGA-UHFFFAOYSA-N 344.864 1.844 0 40 EDAB Cn1ncc(Br)c1C(=O)n1cc(Br)cn1 2748349 FHPYTYPNOQKSBY-UHFFFAOYSA-N 333.971 1.830 0 40 EDAB CCOC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 524320 VUJXYYIJQNHKBG-UHFFFAOYSA-N 344.367 1.084 0 40 EDAB NC(=O)CCS(=O)(=O)CCN(Cc1cccc(F)c1)C1CC1 53231800 WOYUCSXQFYRSIM-UHFFFAOYSA-N 328.409 1.080 0 40 EDAB Cc1nc([C@@H]2CCCN2CCn2cnc3ccccc3c2=O)no1 84281009 WRWLASNXTUXKCA-HNNXBMFYSA-N 325.372 1.925 0 40 EDAB CCOc1ccc(OCCNC(=O)CCSCC(N)=O)cc1 23073914 ULFRXDWIFWYMHW-UHFFFAOYSA-N 326.418 1.189 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCC(c3nnc4n3CCC4)CC2)no1 47258620 PFIMAOIEGGSONJ-LBPRGKRZSA-N 344.419 1.727 0 40 EDAB Cc1cc(NC(=O)CN2CCC(c3nnc4n3CCC4)CC2)no1 47258745 BILTWWGWLPFJOC-UHFFFAOYSA-N 330.392 1.339 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 23409049 YDELWNKITLJBKA-FUHWJXTLSA-N 348.443 1.058 0 40 EDAB COc1ccc([C@H](CNCc2c[nH]nc2C)N2CCOCC2)cc1 97159232 ZBSXOFHSIYJCFD-SFHVURJKSA-N 330.432 1.890 0 40 EDAB Cc1ccc(CC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 47635064 KBZAKTCZUMVBOC-ROUUACIJSA-N 332.444 1.391 0 40 EDAB CCc1cnccc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1 97109644 AECZWBUXXUSPAH-MRXNPFEDSA-N 330.432 1.023 0 40 EDAB C[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(N2CCS(=O)(=O)CC2)c1 55463908 LNIFEXHBMQZJHP-CMPLNLGQSA-N 326.393 1.655 0 40 EDAB C[S@@](=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cn2)cc1 56406140 CHRXPWNJJCKACV-DEOSSOPVSA-N 345.424 1.908 0 40 EDAB C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccccc1 26281022 GNSJTGZSQGGVMX-LBPRGKRZSA-N 325.434 1.471 0 40 EDAB CCNC(=O)C1CCN(Cn2nnc(-c3ccc(Cl)cc3)n2)CC1 26645387 AKGSOEMKQGLNIZ-UHFFFAOYSA-N 348.838 1.799 0 40 EDAB COCCn1cc(NC(=O)N2CCN(Cc3ccco3)CC2)cn1 47876293 PJUUNKBNOAOIHY-UHFFFAOYSA-N 333.392 1.472 0 40 EDAB O=C(NCCCNS(=O)(=O)C1CCOCC1)c1ccccc1F 57879238 UYXAPSWHAQDGTH-UHFFFAOYSA-N 344.408 1.044 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 62001688 ITASIBIOHKWOKH-BAESOJJISA-N 330.384 1.151 0 40 EDAB COc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cn1 12694254 KJWVTOKKBZTSQH-UHFFFAOYSA-N 347.396 1.783 0 40 EDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nnsc1Cl 27557011 YIKVWOREXXNYJT-SSDOTTSWSA-N 344.849 1.790 0 40 EDAB O=C(COc1ccccc1)Nc1cnn(CC(=O)NC2CCCC2)c1 58193133 OPXLQFXMXQTBBF-UHFFFAOYSA-N 342.399 1.959 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)Nc3ccncc3)CC2)cn1 58202153 NNYGMWQXWDCQON-UHFFFAOYSA-N 342.403 1.489 0 40 EDAB COC(=O)C1(NC(=O)C[C@H]2CCS(=O)(=O)C2)CCC(C)CC1 58264706 ZSFMGRGHPLLORB-MQYJIDSJSA-N 331.434 1.049 0 40 EDAB CON(C)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 48178632 RGDJUPRJSWQFBT-NSHDSACASA-N 327.178 1.822 0 40 EDAB COC(=O)c1ccc(F)c(S(=O)(=O)N[C@H](C(=O)OC)C(C)C)c1 58203442 AAJVXCLXNGHXRI-LBPRGKRZSA-N 347.364 1.088 0 40 EDAB CC(C)COCCCNC(=O)NC1CCN(c2ncccn2)CC1 48211534 GZILAUOPUGECTA-UHFFFAOYSA-N 335.452 1.807 0 40 EDAB Cc1nnc([C@@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)o1 48274684 UATVBGTVZMJPJK-GFCCVEGCSA-N 330.388 1.986 0 40 EDAB CNc1snc(C)c1C(=O)NCc1cccnc1-n1cncn1 44943154 JMWISZDTSBJTFR-UHFFFAOYSA-N 329.389 1.399 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)NCCc2ccccn2)cc1 44947244 GNHHBDHMEVCWGF-UHFFFAOYSA-N 348.428 1.032 0 40 EDAB Cc1cccc(OCCNC(=O)NC[C@H]2CCS(=O)(=O)C2)c1 44910290 KEIHYDDCDKRGOW-CYBMUJFWSA-N 326.418 1.108 0 40 EDAB COCCN(Cc1nnc2n(C)c(=O)c3sccc3n12)C1CC1 44977725 KRGKPQZLFJBTON-UHFFFAOYSA-N 333.417 1.254 0 40 EDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccc2c(c1)CCO2 44916342 VXBNJPRGKPTZNQ-DLBZAZTESA-N 346.427 1.089 0 40 EDAB C[C@@H](OC[C@@H](O)CNc1ncnc2c1cnn2C)c1ccccc1 44976129 ITIBOGRWEYXSTR-OCCSQVGLSA-N 327.388 1.914 0 40 EDAB C[C@H](C(=O)NC(N)=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 58341783 FOSPMTAUKYVUEF-VXGBXAGGSA-N 342.440 1.149 0 40 EDAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCC(=O)NC1CCCCC1)CS2 58380356 MXUIWRVADWHXAB-WBMJQRKESA-N 339.461 1.006 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1ccc(-n2cccn2)nc1 58393936 RQXCUECGPNBZMT-UHFFFAOYSA-N 325.420 1.665 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1ccc(Cn2cncn2)cc1 58393363 BXBUPDCFJKBVFS-UHFFFAOYSA-N 339.447 1.724 0 40 EDAB CSc1nnc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)s1 58329162 BYGIIGRRXMERQX-SNVBAGLBSA-N 334.426 1.923 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1sccc1C 45509383 VDXRXGDAVPCHJR-LBPRGKRZSA-N 330.475 1.877 0 40 EDAB CCOc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)s1 11202535 DRXSPHKKJXYUQO-UHFFFAOYSA-N 340.426 1.724 0 40 EDAB CCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 11202526 DGEJVOBWIXBQRF-UHFFFAOYSA-N 340.426 1.724 0 40 EDAB CC(C)CNC(=O)[C@@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 48300834 ZTESAQMLYBVJII-CYBMUJFWSA-N 348.472 1.740 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)O)cc1 3454494 JPMUQLIUTOEKPF-LBPRGKRZSA-N 333.431 1.570 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)c(OC)c1 9502106 AVWGZHGYYWUNJY-AWEZNQCLSA-N 335.360 1.219 0 40 EDAB CNC[C@H]1CCN(S(=O)(=O)c2sccc2Br)C1 71145184 UQEFLNFGPKJSJN-MRVPVSSYSA-N 339.280 1.741 0 40 EDAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NN1Cc3ccccc3C1=N)OC2=O 13571801 RRWDHNIYNFXVTN-MSOLQXFVSA-N 327.384 1.981 0 40 EDAB CCS(=O)(=O)c1ccc(O)c(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4174791 FZJSPCGJXFQMBH-LMHVJCSRSA-N 347.392 1.497 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)N1CC[C@@]2(O)CCCC[C@H]2C1 71297192 ABMNKCUNRHEWSF-KXBFYZLASA-N 345.443 1.276 0 40 EDAB CC(C)Oc1ccc(C(N)=O)cc1NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 71284444 SENCEWCDCIBMQU-OLZOCXBDSA-N 334.372 1.868 0 40 EDAB COc1ccc(NC(=O)c2cnc(N3CCSCC3)nc2N)cc1 65154797 FNIPTBMNHAMLJO-UHFFFAOYSA-N 345.428 1.873 0 40 EDAB CN1C(=O)N[C@@H](c2ccc(F)cc2)C2=C1CN(C[C@H]1CCCO1)C2=O 4345046 LIZJXKMNTBDKDQ-CJNGLKHVSA-N 345.374 1.797 0 40 EDAB CCNC(=O)CNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 39984964 FDHZMWYVTJLDMS-ZDUSSCGKSA-N 325.796 1.160 0 40 EDAB CN(C(=O)Nc1cccnc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 65399459 IRPGPECYLPCFIC-GFCCVEGCSA-N 338.433 1.333 0 40 EDAB NC(=O)CSc1nc(-c2cc(Br)ccc2O)n[nH]1 13942001 IJQIZSCDKUGOIZ-UHFFFAOYSA-N 329.179 1.517 0 40 EDAB CC[C@@H]1CN(C(=O)CCn2nc(-c3cccs3)oc2=O)CCO1 65575432 BUVVJCNFRGJVEM-LLVKDONJSA-N 337.401 1.592 0 40 EDAB COc1ccc(CC(=O)Nc2cc(OC)ccc2-n2cnnn2)cc1 6469346 ASIZAUCYIYIHEG-UHFFFAOYSA-N 339.355 1.861 0 40 EDAB CCOc1ccc([C@@H]2CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)cc1 14136270 GRASILOHYUWVNC-HNNXBMFYSA-N 343.383 1.299 0 40 EDAB O=c1cc(CNc2cc(-n3cnnn3)ccc2F)nc2sccn12 66469222 MBQNZIBQOTWTLO-UHFFFAOYSA-N 343.347 1.483 0 40 EDAB CC(=O)N1CCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 14914688 QQAIPNOCUVZGFQ-UHFFFAOYSA-N 345.382 1.001 0 40 EDAB O=C(Cn1cccnc1=O)N1CCC[C@@H]1c1cccc2c1OCCO2 66770483 JKNSJSXFFOUGSO-CQSZACIVSA-N 341.367 1.378 0 40 EDAB Cc1cn2nc(N3CCC[C@H]3C(=O)N3CCSCC3)sc2n1 66818209 VDKCJDXFBFBGQI-NSHDSACASA-N 337.474 1.643 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](c2cccc(F)c2)C1 66848467 ZSEYWTUIGJUSMU-RISCZKNCSA-N 346.410 1.793 0 40 EDAB Cc1ccc(NC(=O)c2ccc(CO)cc2)cc1S(=O)(=O)N(C)C 6939024 RYHRZZIPKKTQGU-UHFFFAOYSA-N 348.424 1.990 0 40 EDAB COc1nc(C)cc(C)c1CNC(=O)C(=O)N(C)c1ccccc1 67599388 VJWCKXDCWFOKNI-UHFFFAOYSA-N 327.384 1.986 0 40 EDAB Cc1nc(C2CCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)CC2)no1 67877235 IXEAYKJBWNGJDT-AWEZNQCLSA-N 332.404 1.485 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCN(C2CCOCC2)CC1 80826735 VULBKQYANQIOPR-UHFFFAOYSA-N 340.445 1.181 0 40 EDAB COc1ccc(OCCn2nnc(-c3ccc(C(N)=O)cc3)n2)cc1 7875646 CICBIQJJTHTNRE-UHFFFAOYSA-N 339.355 1.527 0 40 EDAB O=C(CSc1nnnn1C1CCCC1)NC(=O)c1cccs1 8327784 GSIPMXCLIHCVLJ-UHFFFAOYSA-N 337.430 1.898 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)CC[C@H]3CCCO3)CC2)n1 69656322 ODCKIWGMOGCARS-CQSZACIVSA-N 334.420 1.401 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)nc1 69674886 BYVWESXUADSPBS-UHFFFAOYSA-N 344.389 1.733 0 40 EDAB O=C(c1cnc2ccccn2c1=O)N1CCCC[C@H]1Cn1cccn1 69659414 GWVQIGFQAXYSMS-AWEZNQCLSA-N 337.383 1.586 0 40 EDAB CCN(CC)[C@H](C(=O)OCC(=O)N[C@H](C)COC)c1ccccc1 69662837 CSSWJHSCZWBRIN-PBHICJAKSA-N 336.432 1.764 0 40 EDAB CC(C)[C@@H](NC(=O)CNC[C@H]1CN(C)CCO1)c1cccs1 69652998 JPKJJOHCSHULDR-XJKSGUPXSA-N 325.478 1.482 0 40 EDAB COc1ccc(CNC(=O)NCC(=O)NC2CC2)c(C(F)(F)F)c1 69601822 DROIWKXLLYPVLW-UHFFFAOYSA-N 345.321 1.792 0 40 EDAB C[C@H](C(=O)NCc1ncn(C)n1)N1CCC(Cc2ccccc2)CC1 91866827 WBRWKNURJCTMMB-OAHLLOKOSA-N 341.459 1.775 0 40 EDAB O=C(Nc1ccn(-c2ccccc2)n1)N[C@@H]1CCCS(=O)(=O)C1 71921982 CRRODGNGTWBTER-GFCCVEGCSA-N 334.401 1.571 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@H](C)Cn3cccn3)CC2)nn1 69707508 MUFRYLZTADWAJS-CQSZACIVSA-N 328.420 1.357 0 40 EDAB O=C(NCCN1CCOCC1)N(Cc1ccc(F)cc1F)C1CC1 69776094 NLFSZHIDPMCTSS-UHFFFAOYSA-N 339.386 1.971 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)C1 96408595 FBYMCEJIAPIUPC-INIZCTEOSA-N 336.457 1.258 0 40 EDAB CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 96486772 JYJIFBRBHHYJOX-ABAIWWIYSA-N 341.814 1.505 0 40 EDAB COC(=O)CN1CCN(c2ccc(NC(=O)NC3CC3)cc2)CC1 69899033 ANQOVBKAHSQUEL-UHFFFAOYSA-N 332.404 1.266 0 40 EDAB NS(=O)(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 69869900 JHYWGSYOXZPXFU-JTQLQIEISA-N 329.180 1.709 0 40 EDAB Cc1cc(NC(=O)CCN[C@H]2CCCN(c3cccnn3)C2)no1 69877550 YVVNESXWTUXGEB-ZDUSSCGKSA-N 330.392 1.360 0 40 EDAB NC(=O)NC[C@@H]1CCCCN1C(=O)c1cnn(Cc2ccccc2)c1 69819105 NIBTYMJOUTYIDA-INIZCTEOSA-N 341.415 1.594 0 40 EDAB Cc1cccc(CN2CCC(NC(=O)NCCn3ccnn3)CC2)c1 97082890 ROFFDIPDDHYGDG-UHFFFAOYSA-N 342.447 1.550 0 40 EDAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCn2c(nnc2C2CC2)C1 72268364 ZGWBJNPXDLSPEV-KRWDZBQOSA-N 337.427 1.991 0 40 EDAB NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCc3occc32)cc1 95351065 XMJDLOWTDANKQU-CQSZACIVSA-N 334.397 1.663 0 40 EDAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)nc2)cc1C 89575513 ZCTFTIILLZWELG-UHFFFAOYSA-N 335.385 1.607 0 40 EDAB CN(Cc1ncnn1C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 89741153 YVBAKNNRJJLXMJ-CZUORRHYSA-N 345.378 1.132 0 40 EDAB COCCN1CCC(CNC(=O)c2cn3ccc(C)cc3n2)CC1 89700896 KWHOSFCYIJESPM-UHFFFAOYSA-N 330.432 1.731 0 40 EDAB O=C(COc1ccccc1)NCC(=O)N1CC[C@H](C2CCOCC2)C1 89845748 ZOJOCIXCNPCZHN-INIZCTEOSA-N 346.427 1.457 0 40 EDAB NC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 79047194 JXYKPQASZHLAPP-UONOGXRCSA-N 337.370 1.088 0 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COC(=O)[C@H](NC(=O)c1ccc(OC)cc1)P(=O)(OC)OC 2362803218 PDYHCETWPYYUPC-GFCCVEGCSA-N 331.261 1.410 0 40 EDAB Cc1c(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)cnn1C 72242303 NINZRINRCUJWSC-NVXWUHKLSA-N 344.390 1.703 0 40 EDAB CC(C)C(=O)N1CC[C@H](c2nn(CCN(C)C)c3nccnc23)C1 72391682 RJXXEWWUTPXZDS-ZDUSSCGKSA-N 330.436 1.360 0 40 EDAB Cc1ncc2c(n1)CC[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)C2 568714283 SRFHSVFVYBDAQV-HNNXBMFYSA-N 325.368 1.699 0 40 EDAB O=C(NCc1nccn1CCc1ccccc1)[C@H]1CCCS1(=O)=O 567518218 JSZMOGGHVRUQIB-OAHLLOKOSA-N 347.440 1.319 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)Cc1ccc(-n2cnnn2)cc1 48156513 CYFJGBXXCGUKIJ-OAHLLOKOSA-N 337.387 1.132 0 40 EDAB Cc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1 224358059 ZAWPCZLBTSRGRS-UHFFFAOYSA-N 341.415 1.940 0 40 EDAB C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCc2ccc(F)cc2C1 133928027 ILNQSOYEPCPXLR-SECBINFHSA-N 347.312 1.960 0 40 EDAB CN([C@@H](C(=O)NCc1ccncc1)c1ccccc1)S(C)(=O)=O 223130230 MLKFVJHFVDXCTJ-OAHLLOKOSA-N 333.413 1.331 0 40 EDAB CN(C)CCOc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cn1 225915563 XGHGRHUUMLIBOY-UHFFFAOYSA-N 337.420 1.750 0 40 EDAB CCOC(=O)[C@@]1(Cc2ccccc2Br)CNCCO1 141520520 ABVWSKPXDNDOOZ-CQSZACIVSA-N 328.206 1.913 0 40 EDAB CCNC(=O)N1CCC(Nc2ccc(Cn3cncn3)cc2)CC1 97238251 AZFJBNHQXJYRCG-UHFFFAOYSA-N 328.420 1.932 0 40 EDAB Cc1nnc(N2CCC[C@@]3(CN(Cc4ccncc4)CCO3)C2)o1 96226651 ANYFGRQSGTXDFW-QGZVFWFLSA-N 329.404 1.644 0 40 EDAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2cscn2)n1 97971522 FGBGGGZVFAAWFP-GJZGRUSLSA-N 342.424 1.862 0 40 EDAB C[C@H]1CN(C(=O)COCc2nc(-c3ccncc3)no2)C[C@@H](C)O1 96182046 XPMWMULMRNMLJB-TXEJJXNPSA-N 332.360 1.284 0 40 EDAB O=C(C1CC=CC1)N1C[C@H]2OCC(=O)N(Cc3cccc(F)c3)[C@@H]2C1 96246428 RVMJNMYIIGZXCA-IAGOWNOFSA-N 344.386 1.730 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ccncn2)C1 96244440 QCKZWRCOSBJKOT-QGZVFWFLSA-N 326.404 1.319 0 40 EDAB CN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC12CCCCC2 583651667 QQQGSHOSUXNNFD-UHFFFAOYSA-N 346.884 1.713 0 40 EDAB C[C@H]1OCCN(C(=O)Cc2ccn(C)n2)[C@@H]1c1nc(C2CC2)no1 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346.402 1.813 0 40 EDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)c4ccn(C)n4)CC3)O2)n1 96109978 KENRWIHEZAEXHQ-ZDUSSCGKSA-N 331.376 1.638 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)c3c[nH]cn3)C2)CC1=O 96239412 WGMLZLITIHVOJA-QGZVFWFLSA-N 343.387 1.279 0 40 EDAB Cc1cc(CCNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cc(C)c1O 249392543 BTFQDDOGGOQPQY-RPUYLAQPSA-N 330.428 1.962 0 40 EDAB Cc1nc(O)cc([C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 257246708 IVKYPBYWBDLFHL-QGZVFWFLSA-N 343.383 1.835 0 40 EDAB COc1ncccc1C(=O)N1CCOC[C@@H]1c1cc(O)nc(C)n1 257251837 JSLXLKIZIYZXKZ-CYBMUJFWSA-N 330.344 1.108 0 40 EDAB O=C(CN1CCC(N2CCc3ccccc3C2=O)CC1)N1CCCC1 257203065 AONKGCVAKXTFKY-UHFFFAOYSA-N 341.455 1.772 0 40 EDAB O=C(c1ccnc(OCC2CC2)c1)N1CCN(c2ncccn2)CC1 253403676 QIRBIJBGIXHWCG-UHFFFAOYSA-N 339.399 1.623 0 40 EDAB O=C(c1ccc(=O)[nH]n1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 253401898 NRMJSWOTZGURKM-VIFPVBQESA-N 343.368 1.511 0 40 EDAB O=C(NC1CC1)[C@H](O)C1CCN(Cc2ccc3c[nH]nc3c2)CC1 585655743 FSIGEHIUZRPEGB-QGZVFWFLSA-N 328.416 1.414 0 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345.168 1.316 0 40 EDAB CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C1CCOCC1 74425247 AAPWQJHPGPFLOA-HNNXBMFYSA-N 330.384 1.847 0 40 EDAB CCCOC[C@H]1C[C@@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 17440238 UVBVHSSYOFXGJL-TURNYIBQSA-N 340.401 1.616 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2)cc1 19169955 KKBDEDUREURYOT-UHFFFAOYSA-N 332.425 1.844 0 40 EDAB CCn1cc(CN2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)c(C)n1 19524608 NPUBFQFHTHCWKQ-CJNGLKHVSA-N 327.432 1.765 0 40 EDAB CCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(C)c1 19929560 KNWWDXGMVRIIPF-UHFFFAOYSA-N 328.434 1.540 0 40 EDAB CCCOc1cc(N2CCN(S(=O)(=O)CC)CC2)nc(C)n1 12224820 LNZFVWXCVHFXOM-UHFFFAOYSA-N 328.438 1.046 0 40 EDAB Cc1nc(CN2CCO[C@H](C(=O)N3CCSCC3)C2)cs1 1888834230 GELVYKIJRUHPNI-ZDUSSCGKSA-N 327.475 1.228 0 40 EDAB Cc1noc(C)c1C(=O)NCC1(N2CCSCC2)CCOCC1 1888834303 XWVYPXQCWVTVOH-UHFFFAOYSA-N 339.461 1.619 0 40 EDAB Cn1cc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cn1 1889128232 OCGOSJWKSRAHLJ-UHFFFAOYSA-N 344.419 1.934 0 40 EDAB O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)NCc1ccco1 27454420 DVNYEXSYVOCYKO-UHFFFAOYSA-N 345.374 1.493 0 40 EDAB O=C(NCCn1ccc2ccoc2c1=O)c1cnn(-c2ccccc2)n1 238861261 KSHMHGOZGVELLK-UHFFFAOYSA-N 349.350 1.605 0 40 EDAB O=C(CC1(O)CCC1)N1CCC2(CC1)CCN(c1cccnc1)C2=O 1565551813 VYORTSQSEZCVRG-UHFFFAOYSA-N 343.427 1.732 0 40 EDAB C[C@@H](C(=O)Nc1cccnc1)N1C(=O)c2ccccc2S1(=O)=O 4330271 XNAFZSWYOSVYEX-JTQLQIEISA-N 331.353 1.253 0 40 EDAB CCc1nccn1CC1CN(C(=O)[C@H]2COc3ccccc3O2)C1 1849414040 BHQWYJZDGDIROW-MRXNPFEDSA-N 327.384 1.744 0 40 EDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccoc2)CC1 2055713308 XXZVTEPRNSHNNX-UHFFFAOYSA-N 332.404 1.230 0 40 EDAB O=C([C@H]1CN(Cc2ccncc2)CCO1)N1CCC(F)(F)CC1 2086884635 YNVZNCJGCCJLAX-CQSZACIVSA-N 325.359 1.540 0 40 EDAB Cc1noc(CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298188581 ACBQEUVREUSWIS-GFCCVEGCSA-N 328.363 1.848 0 40 EDAB COc1ccc(NC(=O)C[C@H](NCc2cccnc2)C(=O)O)cc1 4139340 RZGLIJXZJXKRSR-HNNXBMFYSA-N 329.356 1.662 0 40 EDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N[C@@H](C)c1ccccc1 12390421 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330.475 1.160 0 40 EDAB O=C(NCCCNC(=O)c1ccc(F)cc1)NCc1ccncc1 78925930 MQTBKXMYTLDBJF-UHFFFAOYSA-N 330.363 1.840 0 40 EDAB CCS(=O)(=O)N(C)CC(=O)N(C)Cc1ccc(F)cc1Cl 79018328 GAIDBUFRHQSTDL-UHFFFAOYSA-N 336.816 1.719 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)C(C)C)C2=O)cc1 8734582 ITMZGUUFGQINCF-KZULUSFZSA-N 347.415 1.623 0 40 EDAB NC(=O)c1nc(-c2ccco2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 4338306 RAWCAFCJYBMABI-UHFFFAOYSA-N 339.286 1.607 0 40 EDAB CCOc1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)cc1 4362052 PIKMAMRNLUSSDQ-HRCADAONSA-N 331.416 1.813 0 40 EDAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)NCc1ccccc1 6823678 JZJRPYYNMXFQQQ-UHFFFAOYSA-N 349.437 1.851 0 40 EDAB C[C@H](NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C(=O)N(C)C 46967871 WLYWKJIWVKYOJV-ZDUSSCGKSA-N 346.431 1.523 0 40 EDAB CC(C)NC(=O)N1CCC(C(=O)NCCN2CCCC[C@@H]2C)CC1 47144178 NNOUHYZKFIEYNP-HNNXBMFYSA-N 338.496 1.807 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 47101289 HQVATAGJQYWHFO-CABCVRRESA-N 333.436 1.513 0 40 EDAB CC(=O)N(CCO)CCCN1C(=O)c2cccc3cccc(c23)C1=O 104380050 SORDPZVHMZIDDV-UHFFFAOYSA-N 340.379 1.667 0 40 EDAB COc1cc(NC(=O)CCNc2ncnc3[nH]cnc23)cc(OC)c1 12389455 RHYRHRGVZMUQJK-UHFFFAOYSA-N 342.359 1.811 0 40 EDAB C[C@@H]1C[C@@H](OC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C(=O)O1 53706841 LWTAXWHTRGSUSB-OSAQELSMSA-N 346.383 1.249 0 40 EDAB COCCn1nc(C)c(CNc2nn3c(=O)ccnc3s2)c1C 97160082 KITUGGVJQILNNO-UHFFFAOYSA-N 334.405 1.223 0 40 EDAB O=C(NCc1ccccc1CN1CCCC1=O)Nc1nncs1 43127984 KEJKIJWQGNQUKC-UHFFFAOYSA-N 331.401 1.982 0 40 EDAB COc1cc(C)c(CN(C)Cc2nc(N)nc(N(C)C)n2)cc1OC 24803463 ONXJEBJEYFMLBR-UHFFFAOYSA-N 346.435 1.477 0 40 EDAB O=C(NCCn1ccnc1)NCc1ccc(OC[C@H]2CCCO2)cc1 43310394 PPWNFZYNNLRVSH-QGZVFWFLSA-N 344.415 1.940 0 40 EDAB C[C@H]1c2ccccc2O[C@H]1C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 107057289 GPMUPNMKBGBJGQ-CXHZTBPHSA-N 330.428 1.730 0 40 EDAB O=C(CCn1cncn1)Nc1cccc(Cl)c1N1CCOCC1 25581878 QSKXWZFQDAIFHH-UHFFFAOYSA-N 335.795 1.797 0 40 EDAB O=c1cc(CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)occ1O 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O=C([C@H]1CCCO1)N1CCN(C(=O)[C@H]2Cc3ccccc3S2)CC1 58139665 PQQQLXLFOXEPBZ-GDBMZVCRSA-N 346.452 1.553 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2cscn2)cc1 58195577 SSXLDZZCCYLFIA-UHFFFAOYSA-N 325.415 1.323 0 40 EDAB CCCCn1nnnc1CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 44870061 CDKQHNUCXVMAAQ-ZDUSSCGKSA-N 328.376 1.136 0 40 EDAB NC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21 67318576 RLUFZODWZZWCTL-UHFFFAOYSA-N 347.334 1.599 0 40 EDAB C[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)N1CCOCC1 58266356 TWICWJQSXVKXKU-YGRLFVJLSA-N 338.791 1.007 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)c1ccnc(-n2ccnc2)c1 58279754 NQZZHTCIECIWAT-UHFFFAOYSA-N 331.376 1.522 0 40 EDAB Cc1ccc(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 12694360 MLJDZFRDNNMIQI-HOTGVXAUSA-N 326.396 1.953 0 40 EDAB COc1ccccc1OCC(=O)N[C@H](C)C(=O)NCc1ccco1 58280643 PLVAZCIWPKGWPF-GFCCVEGCSA-N 332.356 1.488 0 40 EDAB Cc1cc(OCC(=O)NCC2(O)CCN(C)CC2)ccc1Cl 72310397 VVXZZABZTVFVML-UHFFFAOYSA-N 326.824 1.600 0 40 EDAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(N)=O)c1 3319093 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EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)OCc1nc(C(C)C)no1 45843055 KDORFQVNHIIVMN-UHFFFAOYSA-N 339.373 1.506 0 40 EDAB Cc1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]2CCCO2)o1 48301594 MURCHGBEVJZSRT-HNNXBMFYSA-N 347.415 1.167 0 40 EDAB CC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 3460834 VOHQQOGQTOHXNI-SFHVURJKSA-N 329.400 1.712 0 40 EDAB CN(C)C(=O)CNC(=O)c1cc2ccccc2nc1N1CCCC1 62640051 KVSPUYPWNJSWCC-UHFFFAOYSA-N 326.400 1.653 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCc3ccc(OC(C)C)nc3)nc2n1 48517374 UXDORIIZGMHLAC-UHFFFAOYSA-N 340.387 1.853 0 40 EDAB CC(C)c1nc2c(n1C)CCN(C[C@@H](O)COC[C@@H]1CCCO1)C2 69513864 CHOUKJKHXRFGLL-CABCVRRESA-N 337.464 1.458 0 40 EDAB O=C(CN1C(=O)c2ccccc2CS1(=O)=O)N1CCCCCC1 69588674 REWLRNBDLDQFPW-UHFFFAOYSA-N 336.413 1.375 0 40 EDAB NC(=O)[C@H](CNC(=O)NCC(F)(F)F)Cc1ccccc1Cl 69697469 WPLDNAAEYGCORM-VIFPVBQESA-N 337.729 1.846 0 40 EDAB C[C@@H](NC(=O)C(=O)Nc1cccnc1)C(=O)N1CCc2ccccc21 69655299 NIHHJAZQLNDCQW-GFCCVEGCSA-N 338.367 1.114 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCc2ncn(C)n2)[C@@H]1c1cccc(Cl)c1 91869493 KABSGOWLYXTGSD-DOMZBBRYSA-N 347.806 1.304 0 40 EDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)[C@@H](C)n1cncn1 69772335 OYSYVHIJOYFXPR-SCRDCRAPSA-N 349.460 1.860 0 40 EDAB COc1ccc(OC)c(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 4271921 DUTTZIICIMZHOW-JQWIXIFHSA-N 328.415 1.357 0 40 EDAB COc1ccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)cc1-n1nnnc1C 69951461 YMDPNMMUKNRZLW-PHIMTYICSA-N 346.391 1.620 0 40 EDAB COCCCNC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 69918495 YHTXTONALNITGO-UHFFFAOYSA-N 325.453 1.703 0 40 EDAB Cc1nn2c(=O)cc(CN3CCn4c(nc(C)c4C)C3)nc2s1 65463134 JQWQGBUIVZQIQG-UHFFFAOYSA-N 330.417 1.289 0 40 EDAB NC(=O)CCNC(=O)c1ccccc1NC(=O)Cc1cccc(F)c1 65490567 XWZRNCVORYUNQB-UHFFFAOYSA-N 343.358 1.612 0 40 EDAB CC(=O)NCCc1c[nH]c2ccc(OC[C@H](O)CNC(C)(C)C)cc12 4419623 YHWFSLPHIBXEHP-OAHLLOKOSA-N 347.459 1.974 0 40 EDAB O=C(NCC1CC1)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1 65552259 MLHSPGBSPRTUDJ-CYBMUJFWSA-N 344.433 1.416 0 40 EDAB CCn1cnnc1SCC(=O)Nc1oc(C)c2c(C)n[nH]c(=O)c12 14137538 NAEWMOXNPZHIHQ-UHFFFAOYSA-N 348.388 1.475 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)COc1ccc(Br)cc1 6540707 VVFVLXFFEHUKOO-JTQLQIEISA-N 343.221 1.859 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@H]4CC(=O)[C@H](CC4=O)[C@H]3C2=O)cc1Cl 4664458 QVXSDPZASGYXCG-FCIDVOKBSA-N 331.755 1.932 0 40 EDAB COc1ccccc1NCCC(=O)OCC(=O)NC[C@H]1CCCO1 5658850 KBRGYQJHBBTTJG-CYBMUJFWSA-N 336.388 1.336 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)[C@@H]4CC=CCC4)CC3)ncnc21 14853419 OKVWWCSMQBYINR-CYBMUJFWSA-N 326.404 1.368 0 40 EDAB C[C@@H](C(=O)N[C@@H]1CCOC(C)(C)C1)n1nnc2ccccc2c1=O 71285503 LIFJOVNDVNGNBB-NWDGAFQWSA-N 330.388 1.426 0 40 EDAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2F)c2ccccc2O1 7307239 GASBHGVFBHUWMJ-CYBMUJFWSA-N 336.344 1.267 0 40 EDAB COc1ccccc1N1CC[C@H](CNC(=O)CNCC(F)(F)F)C1 68424798 AKRXWBVLFCLAGJ-GFCCVEGCSA-N 345.365 1.790 0 40 EDAB CN(CCOc1ccc(F)cc1)C(=O)c1cnc2n(c1=O)CCS2 16173859 PRRKPJGJLSDGCJ-UHFFFAOYSA-N 349.387 1.639 0 40 EDAB C[C@H]1CN(CCNS(=O)(=O)Cc2cccc(F)c2)C[C@@H](C)O1 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EDAB Cn1cc(CN2CCN(C[C@H](O)c3cc(F)ccc3F)CC2)cn1 71879119 KGLRSLABZYOXDY-KRWDZBQOSA-N 336.386 1.550 0 40 EDAB COC(=O)CSc1nnc(-c2ccc(S(C)(=O)=O)cc2)o1 9764092 NNWWTHZJMLQMTL-UHFFFAOYSA-N 328.371 1.405 0 40 EDAB CN(C)C[C@@H]1CCN(C(=O)c2ccc(N3CCN(C)CC3)c(F)c2)C1 95397205 QPPBABHCDLIJNO-HNNXBMFYSA-N 348.466 1.601 0 40 EDAB CCn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21 9825482 LYANZNVZXBCNPN-UHFFFAOYSA-N 325.324 1.355 0 40 EDAB C[C@@H]1Oc2c(cccc2C(=O)N2CCC[C@@H](n3cncn3)C2)NC1=O 72235133 KIKOCTLEBYWHOA-NWDGAFQWSA-N 341.371 1.475 0 40 EDAB NS(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 74038723 HTZKWCMLKPRNCL-UHFFFAOYSA-N 328.397 1.832 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)N[C@H](CO)c1ccccc1 95983079 XQCJTIOFGNFYIH-CQSZACIVSA-N 326.352 1.262 0 40 EDAB CC(C)c1nsc(N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)n1 95983361 XLRSVNGAYPVHRK-GFCCVEGCSA-N 344.506 1.407 0 40 EDAB Cn1ncc(N2CCN(C3=NCC(C)(C)S3)CC2)c(Cl)c1=O 95965328 XAIJHYBAUVOBRB-UHFFFAOYSA-N 341.868 1.437 0 40 EDAB COC(=O)c1ccc([C@@H](C)N2CCN(Cc3n[nH]c(C)n3)CC2)o1 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1.848 0 40 EDAB CCc1cnc(N2CCN(C(=O)c3cccc(=O)n3C)CC2)s1 535288467 JZLQRPKPUCIMQX-UHFFFAOYSA-N 332.429 1.367 0 40 EDAB COC[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1 70655710 MWDNVDIWCDOGNX-NSHDSACASA-N 327.324 1.381 0 40 EDAB COc1ccc(CCC(=O)N2CCN(CCn3cccn3)CC2)cc1 62022010 WYWPSYHEGXWWBN-UHFFFAOYSA-N 342.443 1.669 0 40 EDAB COCC(=O)N1CCC[C@H](c2ccnc(Nc3cncnc3)n2)C1 72377815 IOYWZNASOYOGMD-LBPRGKRZSA-N 328.376 1.363 0 40 EDAB C[C@]1(C(=O)N2CCOCC2)CN(CCCc2ccccc2)CCO1 72379584 OJXCODNZXWSBKM-LJQANCHMSA-N 332.444 1.569 0 40 EDAB COC(=O)N[C@H](C(=O)NCC1(c2ccc3c(c2)OCO3)CC1)C(C)C 78716808 UFSBWWUPTJVGJX-HNNXBMFYSA-N 348.399 1.944 0 40 EDAB CCN(Cc1ccc(C(=O)N2CCC(O)(CN)CC2)cc1)C1CC1 519601042 MVDVMXMRWMVIGS-UHFFFAOYSA-N 331.460 1.597 0 40 EDAB CCN(CC)C(=O)Cc1ccc(NC(=O)N[C@H]2CCCNC2=O)cc1 78394848 WXEFTPYGXNUHMA-HNNXBMFYSA-N 346.431 1.498 0 40 EDAB COC(=O)C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(OC)cc1 44891483 FFFMEDUOOSQSQE-CQSZACIVSA-N 330.340 1.418 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCNC(=O)C3CC3)CC2=O)c(F)c1 46149754 LNKTUPHVSPOZKC-CYBMUJFWSA-N 347.390 1.129 0 40 EDAB Cc1ccc([C@@H]2CN(S(=O)(=O)CCN3CCCC3)CCO2)o1 192815765 HEEUUVIDCJKDPS-HNNXBMFYSA-N 328.434 1.387 0 40 EDAB CC[C@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1ccc(COC)cc1 569020493 CYPMLOMCQJYRPT-KGLIPLIRSA-N 327.402 1.707 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NC[C@@H](O)c1cccs1 75156084 OBKYCGLRALGEOH-MRVPVSSYSA-N 347.439 1.608 0 40 EDAB O=C(Cc1csc(-c2ccco2)n1)NC[C@@H]1CN2CCC[C@H]2CO1 61649351 YAVDVSIWFFLMFX-UONOGXRCSA-N 347.440 1.925 0 40 EDAB CC[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1cnn(C)c1 88787367 MBQCPGTVISTPTK-AWEZNQCLSA-N 334.445 1.839 0 40 EDAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1-c1ccco1 41098873 GDNNLYSXPSUTDM-UHFFFAOYSA-N 335.433 1.424 0 40 EDAB C[C@H](NC(=O)N[C@H]1C(=O)NCC[C@@H]1C)c1cn(-c2ccccc2)nn1 193914132 SXEQDRGIVYRXCO-SLEUVZQESA-N 342.403 1.152 0 40 EDAB Cc1cc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2ccccn2)no1 96041873 QEIPVAICAQCFJL-SQWLQELKSA-N 329.356 1.829 0 40 EDAB Cc1noc([C@@H]2COCCN2Cc2cc(=O)n3ccsc3n2)n1 97373606 DUXYGFXXVQINAP-NSHDSACASA-N 333.373 1.021 0 40 EDAB COc1cc(N2C[C@H]3CCC[C@@]3(COCC(=O)N(C)C)C2)ncn1 96209050 XUIJQJFVZNUWNL-DYVFJYSZSA-N 334.420 1.197 0 40 EDAB CN(C)CCN1CCOCC12CCN(C(=O)Cc1ccccc1)CC2 96226192 KPVHXMJCODNSAG-UHFFFAOYSA-N 345.487 1.484 0 40 EDAB CCN(CC)C[C@@H]1OC[C@@H](NC(=O)Nc2cccc(OC)c2)[C@H]1O 514288373 BLWIXRSHGRATLN-OWCLPIDISA-N 337.420 1.287 0 40 EDAB biogenic,in-vitro O=C(c1ccncn1)N1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96107773 ROCQQCJQMJTVEB-QAPCUYQASA-N 340.383 1.462 0 40 EDAB COc1ccccc1-c1ccc(=O)n(CC(=O)N2CCSCC2)n1 95472795 MOEVBKNDXSEPIG-UHFFFAOYSA-N 345.424 1.494 0 40 EDAB Cc1cc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)ccc1F 96420593 VHTBXMVZDBMFNG-UHFFFAOYSA-N 325.365 1.628 0 40 EDAB COc1ccc(N2CCC[C@@H](C(=O)N[C@H]3CCOC(C)(C)C3)C2)nn1 96230684 SHYPLNRBYSZPQU-KGLIPLIRSA-N 348.447 1.775 0 40 EDAB O=C(c1ccsc1)N1CCOC2(CCN([C@@H]3CCOC3)CC2)C1 96158918 BFPZCZPRCJGBNX-OAHLLOKOSA-N 336.457 1.844 0 40 EDAB COC[C@@H]1CN(C(=O)COc2ccccc2C)Cc2cncn2C1 96208277 DQKCKAUUCSMVFW-OAHLLOKOSA-N 329.400 1.875 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](OC[C@@H]1CCCO1)C(C)C)C2 97198203 GBCZNDSBTQGPKN-YQQAZPJKSA-N 335.448 1.843 0 40 EDAB CN1C(=O)C[C@@H](Nc2ccc(C(F)(F)F)nn2)[C@@H]1c1cccnc1 583617947 MNJKTSIAGHRZHS-YGRLFVJLSA-N 337.305 2.274 0 40 EDAB O=C([C@H]1C[C@@]2(CCCN(Cc3ccccc3)C2)CO1)N1CCOCC1 96224855 FWTFEXKGWPOBRQ-UYAOXDASSA-N 344.455 1.917 0 40 EDAB CC[C@@]1(C(=O)OC)N[C@@H](c2cccc(F)c2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 96295835 MNQANYLTQZFWNZ-PFHKOEEOSA-N 334.347 1.023 0 40 EDAB CCN1C(=O)[C@H]2[C@@H](c3ccc(F)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 95252471 SVWWHCGTDZGGBX-IPJQOSJUSA-N 334.347 1.023 0 40 EDAB Cc1ncoc1C(=O)N1C[C@@H]2COC[C@]2(c2nnc(C(C)C)o2)C1 96110120 CNNUWTAFGORLRZ-BDJLRTHQSA-N 332.360 1.530 0 40 EDAB COCC(=O)N1CC[C@]2(CCCN(C(=O)Cc3cccnc3)C2)C1 96100157 CNEBEMAHZQKPFZ-SFHVURJKSA-N 331.416 1.112 0 40 EDAB Cc1cnc(C(=O)N2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)cn1 96185050 YUFDRETWZPSPAM-UAGQMJEPSA-N 347.415 1.068 0 40 EDAB Cc1cnc(C(=O)N2CCc3ncc(CN(C)C(C)C)n3CC2)cn1 96067886 CHXUHRODOUEZGZ-UHFFFAOYSA-N 342.447 1.520 0 40 EDAB Cn1cnnc1[C@@H]1CCCN1CC(=O)NC1C2CC3CC(C2)CC1C3 535046194 SONKCRZTNSOTDW-STWSTGMMSA-N 343.475 1.893 0 40 EDAB CC(=O)N1CCS(=O)(=O)[C@@H]2CCN(Cc3ccccc3)CC[C@@H]21 96251597 DTEQDDRTXVVFEQ-DLBZAZTESA-N 336.457 1.297 0 40 EDAB CCN(CC)Cc1cn2c(n1)CN(S(=O)(=O)c1ccccc1)CC2 96197188 SLUZULCWCCIATC-UHFFFAOYSA-N 348.472 1.929 0 40 EDAB CC(C)NC(=O)N1CC[C@]2(C[C@H]2C(=O)N(C)Cc2ccccn2)C1 96227448 FQUQMTKRKHJSHH-YJBOKZPZSA-N 330.432 1.870 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)c2csc(Cc3ccccc3F)n2)C1 96410120 JDKMNZQNIXLVMR-LLVKDONJSA-N 333.388 1.820 0 40 EDAB O=C(c1ccnnc1)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 247873056 RPYLLBDRHVPTIT-OAHLLOKOSA-N 340.383 1.572 0 40 EDAB O=C(c1cnccn1)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1 247848164 HSVDFDJJWAMSKS-QGZVFWFLSA-N 349.394 1.915 0 40 EDAB C[C@H]1CCN(S(=O)(=O)N2CCC(OCCN3CCCC3)CC2)C1 537554640 CUZTUODAJQNKMQ-HNNXBMFYSA-N 345.509 1.150 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)Cc2cccc(OC)c2)Cc2ccnn21 247950385 LPCNZEPRHBOCGC-HNNXBMFYSA-N 342.399 1.154 0 40 EDAB CCCn1nccc1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1 257201183 AGRFQFMCVSGMEK-ZDUSSCGKSA-N 349.460 1.889 0 40 EDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)c2ccco2)C3)n1 253480827 ZDJPHYMVANNDGX-ZDUSSCGKSA-N 329.356 1.831 0 40 EDAB COc1ccccc1CN1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 257341477 ZKNBCNMEGLLGHJ-WMZOPIPTSA-N 346.427 1.286 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCn3nccc3C2)c(C)c1 253473704 XKRAJSDZLITGCZ-AWEZNQCLSA-N 348.428 1.443 0 40 EDAB NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)Cc1ccc(Cl)cc1 257274254 NKFHLZWEYHOHNF-KRWDZBQOSA-N 344.802 1.676 0 40 EDAB O=S(=O)(c1ccccc1)N1CCOC[C@H](Cc2cccnc2)C1 299851131 YXGQSGAVSWAELA-MRXNPFEDSA-N 332.425 1.961 0 40 EDAB Cc1nc(-c2nccn2C)cc([C@@H]2CCCCN2S(C)(=O)=O)n1 257230098 GAVGMPITLUKCPB-AWEZNQCLSA-N 335.433 1.672 0 40 EDAB O=C(CCCn1ccnc1)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257228729 FVABCPGNPGPFAI-JFIYKMOQSA-N 334.464 1.547 0 40 EDAB C[C@H](N[C@H](CO)C1CCCC1)c1ccc(S(N)(=O)=O)cc1F 1616040896 HCHVNYKXHIMVCS-ZUZCIYMTSA-N 330.425 1.675 0 40 EDAB CCn1c(O)nc2cc(C(=O)N3CC[S@](=O)C[C@@H](C)C3)ccc21 597563784 CUBCHLWXBQZHQB-RULNZOCKSA-N 335.429 1.602 0 40 EDAB CCN(CC)C(=O)CCC(=O)N[C@H]1CCC[C@H]1N1CCC(O)CC1 1615051573 HVBDAMNILHBPBT-JKSUJKDBSA-N 339.480 1.129 0 40 EDAB COc1ccc(NC(=O)NCc2nc(OC)nc(OC)n2)c(C)c1 575608387 SVYBKZBKTAYEKV-UHFFFAOYSA-N 333.348 1.528 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1 574444862 FTNDMLIAHXXLCP-CYBMUJFWSA-N 347.820 1.746 0 40 EDAB CO[C@@H]1CCN(S(=O)(=O)c2cn[nH]c2)C[C@H]1Cc1ccccc1 585277403 UECVWKSXFGHBND-GDBMZVCRSA-N 335.429 1.678 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)S(=O)(=O)c1ccccc1C 585291586 QKTSNPZNPCHBLB-NFAWXSAZSA-N 329.418 1.044 0 40 EDAB COC(=O)c1cccc(OCCN2CCC(N3CCNC3=O)CC2)c1 63524859 XQLUVTXODMYJCQ-UHFFFAOYSA-N 347.415 1.342 0 40 EDAB CC[C@H](CO)N1CCN(S(=O)(=O)c2cc(C)cc(F)c2)CC1 95433294 MZWPHTAFRNRXAE-CQSZACIVSA-N 330.425 1.211 0 40 EDAB C[C@H](NC(=O)C[S@@](=O)[C@H](C)c1c(F)cccc1F)C(=O)N(C)C 95966731 UDQJGPUIJZTTQK-BADDSXTQSA-N 346.399 1.367 0 40 EDAB O=C(NCc1ccccc1Cn1cccn1)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 1615057396 SNVGMUBPGZFIQA-ZACQAIPSSA-N 344.415 1.005 0 40 EDAB CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H]1CCCOc2c(Cl)cccc21 1616037855 MYSQQPNKCZDDOS-MELADBBJSA-N 345.848 1.955 0 40 EDAB CC(C)(C)CC(=O)N1CCN2CC(=O)Nc3ccccc3OC[C@H]2C1 1772594658 FUKCRINNZGNSCJ-CQSZACIVSA-N 345.443 1.967 0 40 EDAB Cc1ccc(-n2nnnc2SCC(=O)N2CCCC2=O)cc1C 5392225 SYCNRXUQCBSVKT-UHFFFAOYSA-N 331.401 1.520 0 40 EDAB C[C@](O)(C(=O)NCCc1nc(-c2ccncc2)n[nH]1)c1ccccc1 12114884 IQDORDAXQNBWPS-GOSISDBHSA-N 337.383 1.433 0 40 EDAB CCn1c(=O)n(CC(=O)NCc2ccc(OC)cc2)c2cccnc21 12117554 DDDKELCXAHENNC-UHFFFAOYSA-N 340.383 1.543 0 40 EDAB O=C(CSc1nnc(CCN2CCOCC2)o1)Nc1ccccc1 15729542 JUJGZBPFJKLVTK-UHFFFAOYSA-N 348.428 1.675 0 40 EDAB C[C@@H]1Cc2cc([C@H](O)CN3CCN(c4cnccn4)CC3)ccc2O1 19498057 CUYSGNLFFPOTSS-RHSMWYFYSA-N 340.427 1.656 0 40 EDAB Cn1cc(C(=O)Nc2ccc([C@@H]3CCc4nncn4C3)cc2)ccc1=O 19699145 MLOQJKISJRQCAP-CQSZACIVSA-N 349.394 1.959 0 40 EDAB CCOC(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134582 BFBBATOUCDPBBW-UHFFFAOYSA-N 334.355 1.076 0 40 EDAB Cc1noc(CN2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)n1 1888864464 YEKPJLCENVPULX-ZIAGYGMSSA-N 340.431 1.533 0 40 EDAB O=S(=O)(NC1CCN(c2cc(C3CCC3)ncn2)CC1)C1CC1 1888866887 QQGCMFYFPMOUAW-UHFFFAOYSA-N 336.461 1.795 0 40 EDAB Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nc(C2CC2)n1 1888879229 YHUMLQYSFCRBAW-UHFFFAOYSA-N 346.412 1.240 0 40 EDAB NC(=O)c1cc(OC2CN(c3nccc(C(F)(F)F)n3)C2)ccn1 1889098462 SQBOUHFSBQCYND-UHFFFAOYSA-N 339.277 1.257 0 40 EDAB FC(F)(F)c1cc(N2CCN(c3nccn4nccc34)CC2)ncn1 1889136167 NUFWGINXFPWOQK-UHFFFAOYSA-N 349.320 1.865 0 40 EDAB Cc1nc(NC(=O)c2ccc3nccn3n2)sc1C(=O)N(C)C 1889211669 FDGOOUYAFGUJKX-UHFFFAOYSA-N 330.373 1.448 0 40 EDAB CNC(=O)C1CCN([C@H](C)C(=O)NCc2ccccc2Cl)CC1 29165669 BMURLZQCJJYOGK-GFCCVEGCSA-N 337.851 1.803 0 40 EDAB CC(=O)Nc1ccc(CNC2CCN(S(C)(=O)=O)CC2)cc1 30656539 MJFJMBLPBIMWER-UHFFFAOYSA-N 325.434 1.159 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)NCCN1CCCCCC1=O 32309140 DVVMZEXYKHLQHE-UHFFFAOYSA-N 341.415 1.708 0 40 EDAB CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@]12CCNC2 953019117 NEMJYEUCQOALCQ-QAPCUYQASA-N 332.400 1.798 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccco1)N1CCCC1 36090467 YDBMOKRLORZQOW-CYBMUJFWSA-N 339.417 2.000 0 40 EDAB COc1ccc(C(=O)N2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)cc1 2037985699 SNNRDXLKVYVAMI-LJQANCHMSA-N 346.427 1.795 0 40 EDAB O=C(N1CC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1)C1(F)CCC1 1565546582 HMMXTOLVGGMKAX-SWLSCSKDSA-N 338.358 1.680 0 40 EDAB O=C(c1cc[nH]c1)N1CCOC2(CCN(Cc3ccncc3)CC2)C1 1565544800 RNASISKHTVNNMK-UHFFFAOYSA-N 340.427 1.917 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCC[C@@H](Oc2ncccn2)C1 575613039 NXHMANMOCOMXJZ-CYBMUJFWSA-N 349.412 1.717 0 40 EDAB NC(=O)c1cccc(C(=O)OCCn2c(=O)oc3ccccc32)c1 30839619 MDIJKWZYQGDYOB-UHFFFAOYSA-N 326.308 1.550 0 40 EDAB CN(Cc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc2c(c1)CCO2 40497360 XLCUKPVORYZXDF-UHFFFAOYSA-N 346.408 1.541 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)n1C 40479758 PSMZJPRANVKQLN-ZDUSSCGKSA-N 327.384 1.764 0 40 EDAB NC(=O)Cn1c(SCc2nc3ccccc3[nH]2)nnc1C1CC1 40543255 YGKFRTHBKXRGJC-UHFFFAOYSA-N 328.401 1.809 0 40 EDAB O=C(Nc1cccnc1)C1=C(c2ccccc2)S(=O)(=O)CCO1 32104164 JUPLBGFMFXFJIM-UHFFFAOYSA-N 330.365 1.834 0 40 EDAB O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1O 101420301 NTAZVZRXDRSRNC-KUDNYVPYSA-N 326.352 1.528 0 40 EDAB COc1ccc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)cn1 32657889 GZEKICMHMKBVDN-UHFFFAOYSA-N 330.735 1.972 0 40 EDAB O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCCCC2)cc1 32831621 GABOCHVIUCDURK-CZUORRHYSA-N 334.441 1.827 0 40 EDAB Cc1c(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cnn1C 21614951 HGSYVFCTQRZBBR-INIZCTEOSA-N 343.383 1.485 0 40 EDAB CC1=C(C(N)=O)[C@H](c2ccncc2)N2NC(c3cccs3)=NC2=N1 73537 ODZDPVKYKHPJAZ-ZDUSSCGKSA-N 338.396 1.580 0 40 EDAB O=C(O)c1cccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)c1 127996 CFPNPKCJKZQBFE-UHFFFAOYSA-N 337.309 1.589 0 40 EDAB Cc1noc([C@H](C)N2CCN([C@H](C)C(=O)NC3CCCCC3)CC2)n1 69374235 MUISFFHVSBUUAP-KGLIPLIRSA-N 349.479 1.894 0 40 EDAB c1ccc(-c2nnc(CN3CCO[C@H](Cn4cccn4)C3)o2)cc1 69391809 WDHMRFKUJMGEAI-HNNXBMFYSA-N 325.372 1.834 0 40 EDAB CC(=O)c1ccc(N2CCN(CC(=O)NCC(C)C)CC2)c(F)c1 52686841 LCKJUBJSWBYWOA-UHFFFAOYSA-N 335.423 1.923 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CO3)no1 76044023 CYZCOKOAADHFFM-GFCCVEGCSA-N 342.355 1.940 0 40 EDAB COc1cc([C@@H](C)[C@H](C(=O)O)C(=O)C(=O)O)cc(OC)c1OC 1594997 DLBCTFGHLRLHQU-HQJQHLMTSA-N 326.301 1.170 0 40 EDAB Cc1csc(CNC(=O)C2=NN(c3ccccc3)C(=O)CN2)n1 32970541 BBMQVNYFMNEGFR-UHFFFAOYSA-N 329.385 1.018 0 40 EDAB O=C1NCCN(CC(=O)N2CCc3ccccc32)[C@H]1c1cccs1 78950449 QIXILMFZQHASEE-KRWDZBQOSA-N 341.436 1.810 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 102700582 WUMQXQFFRKHMMQ-HOTGVXAUSA-N 326.396 1.905 0 40 EDAB CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccncc1 3191414 ABHCVETZPWECMK-LBPRGKRZSA-N 328.324 1.601 0 40 EDAB COC(=O)[C@H]1CN(C(=O)NC(C)C)CCN1C(=O)C1CCCCC1 4270759 BTZLSLBRJIPDLW-CQSZACIVSA-N 339.436 1.371 0 40 EDAB biogenic,in-vitro COC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O 4899869 YBHGRGORRMOMMY-ZDUSSCGKSA-N 338.360 1.892 0 40 EDAB COc1cccc2[nH]c3c(N4CCC(C(N)=O)CC4)ncnc3c12 539252 IDGGRHKIISDYDP-UHFFFAOYSA-N 325.372 1.821 0 40 EDAB CC(C)CCn1c(N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 523989 KIRVOAKEHKHKTK-UHFFFAOYSA-N 347.463 1.716 0 40 EDAB Cc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)cs2)s1 6680227 MTYMTUJDNOAWJD-UHFFFAOYSA-N 332.432 1.411 0 40 EDAB CCCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 6879713 VIVAAFUIEBKMBP-LBPRGKRZSA-N 328.434 1.668 0 40 EDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1 7915847 CPEHENWAFZOZNT-CYBMUJFWSA-N 330.837 1.075 0 40 EDAB C[C@@H](Cc1ccccc1F)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 53190527 HYRASDIUDRIIHJ-WCQYABFASA-N 345.461 1.793 0 40 EDAB Nc1nc(N2CCN(c3cc(F)ccc3F)CC2)c2nc[nH]c2n1 97115375 FQOVGPZEOTWMQU-UHFFFAOYSA-N 331.330 1.540 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccn(-c3ccc(F)cc3)n2)C[C@H](C)O1 41806990 HHRLMSCEAYTTLU-KBPBESRZSA-N 346.406 1.850 0 40 EDAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccccc1 57828859 LVNXHVHMAOHYNA-INIZCTEOSA-N 329.400 1.954 0 40 EDAB CC(=O)N[C@@H](CC(=O)N(CC(N)=O)C1CCCC1)c1cccs1 47236749 XABWORZDPRJDPW-ZDUSSCGKSA-N 337.445 1.572 0 40 EDAB COC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 22931944 WZXWOFBAXTWUIO-UHFFFAOYSA-N 325.796 1.069 0 40 EDAB COC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 9647951 XIENJIDISYDZNG-ZDUSSCGKSA-N 341.161 1.389 0 40 EDAB Cn1ncc2c(NCc3ccc(CN4CCOCC4)cc3)ncnc21 12486397 FOUYKOQRBGWCJL-UHFFFAOYSA-N 338.415 1.808 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)NCCc1nc2ccccc2[nH]1 23697271 XPVVGNUVHTVEMM-UHFFFAOYSA-N 343.408 1.939 0 40 EDAB COc1ccc([C@H](NC(=O)c2cnn(C)c2)c2nccn2C)cc1 24025893 UYRCZLYFLSPMIF-HNNXBMFYSA-N 325.372 1.682 0 40 EDAB CCc1ccc(C(=O)N2CCN(C(=O)NC[C@@H]3CCCO3)CC2)cc1 42865011 FBGIFNUFMSSARX-KRWDZBQOSA-N 345.443 1.895 0 40 EDAB CN(C)Cc1nc(CSCCN(C)/C(N)=C/[N+](=O)[O-])cs1 43025234 NRFDOJHZMQJSKN-IZZDOVSWSA-N 331.467 1.404 0 40 EDAB CNc1cc(N2CCC[C@@H]2CNCc2c(C)nn(C)c2OC)ncn1 105904812 KKIJAOHETOBKPF-CYBMUJFWSA-N 345.451 1.327 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCN(c3cnccn3)CC2)n1 24617976 SIDWCLYAEJZVEL-UHFFFAOYSA-N 330.392 1.264 0 40 EDAB CNC(=O)C1(C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 106023089 YAAJNJXKSHDOPC-UHFFFAOYSA-N 343.427 1.242 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)c(C)c1F 104393760 AHBRIHPISAXPFM-CYBMUJFWSA-N 340.420 1.778 0 40 EDAB CC(=O)NCCc1ccc(S(=O)(=O)NCc2cccnc2)cc1 55943007 UNJLWCGJZOWXNN-UHFFFAOYSA-N 333.413 1.239 0 40 EDAB Cc1ccc(-c2nc(CN3C(=O)N[C@]4(CCSC4)C3=O)no2)cc1 24816697 KWLABKOLZVZYSO-INIZCTEOSA-N 344.396 1.973 0 40 EDAB O=C(c1cscn1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108529072 MJGSVORYHJTJAU-HOTGVXAUSA-N 344.440 1.654 0 40 EDAB Cc1cc(NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)n(C)n1 43432567 OCUMSMFBLNTJEN-HNNXBMFYSA-N 339.465 1.058 0 40 EDAB CO[C@H]1CCC[C@@H]1OC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102759629 RGGMYSQMHXLFKM-STQMWFEESA-N 334.397 1.947 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C[C@@H]1N1CCOCC1 107057472 FARYAXYOIADEOH-ISTRZQFTSA-N 334.391 1.308 0 40 EDAB CCCn1nc(C(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1=O 25419981 ORBKSOFLJNXDQF-INIZCTEOSA-N 328.416 1.686 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NCCCn2ccnc2)[C@@H]1c1ccccc1 57355503 MJNSFDUNXMSBLA-WMZOPIPTSA-N 340.427 1.999 0 40 EDAB COC(=O)c1ccc(COC(=O)Cn2nnc3ccccc32)cc1 3233337 IYIGFJPVDHUXJO-UHFFFAOYSA-N 325.324 1.961 0 40 EDAB Nc1nc(Cl)cc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 26715200 VYIXSSRTDRUHSN-UHFFFAOYSA-N 335.770 1.814 0 40 EDAB O=C(COC(=O)[C@@H]1CCC(=O)N1)Nc1nc(-c2ccccc2)cs1 3254705 VYAGQXBOHIZSQB-NSHDSACASA-N 345.380 1.570 0 40 EDAB O=C1C[C@@H](SCCO)C(=O)N1c1ccc(Br)cc1 101312557 IVJPAUXRAMYCGA-SNVBAGLBSA-N 330.203 1.807 0 40 EDAB Cc1nc(/C=C/C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cs1 10036544 XGYCUVKWCZZGAE-LFAOLKIESA-N 327.409 1.904 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cnc3snc(C)c3c1)C2 69456234 XIEYYEVIDRUOPI-UHFFFAOYSA-N 328.401 1.810 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CCNc1ncccn1)CC2 44887771 WQYVEXSJRGPIMV-UHFFFAOYSA-N 342.399 1.881 0 40 EDAB biogenic C[C@H](CN1CCOCC1)NC(=O)c1cncn1-c1ccc(F)cc1 48232002 BXXCYVJQHGCYIG-CYBMUJFWSA-N 332.379 1.462 0 40 EDAB O=C(NCCCCOc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 44946082 XMOUQBAMWHXWDS-CYBMUJFWSA-N 326.418 1.332 0 40 EDAB Cc1cccc(CN2CCN(C(=O)CCNc3ncccn3)CC2)c1 44906277 OKSKKTJEUQKYQS-UHFFFAOYSA-N 339.443 1.931 0 40 EDAB O=C(NCc1ccc(OC[C@@H]2CCCO2)cc1)NCc1cc[nH]n1 44968525 FJEYRYKHRAFUAC-INIZCTEOSA-N 330.388 1.967 0 40 EDAB O=C(C1CCCCC1)N1CCN(c2nnnn2-c2ccccc2)CC1 44915250 LISHOWLUOOLLPR-UHFFFAOYSA-N 340.431 1.891 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c2c(=O)[nH]n(C)c2n1 58393781 JOABIMZPEPOFQL-SECBINFHSA-N 342.321 1.985 0 40 EDAB CCOC(=O)N(C)CC(=O)NC[C@H]1CCN(c2ccccc2OC)C1 58331748 TXRNAQOWZLFNDO-CQSZACIVSA-N 349.431 1.726 0 40 EDAB CCOc1cc2c(cc1OCC)CN(S(=O)(=O)N(C)C)CC2 27960823 SPUZVCCEMPCYNP-UHFFFAOYSA-N 328.434 1.649 0 40 EDAB Cc1ccccc1-c1noc(Cn2nnn(-c3cccs3)c2=O)n1 10814751 FACZVRXIBJAMSN-UHFFFAOYSA-N 340.368 1.897 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)N2CCN(c3cnccn3)CC2)cc1 11543046 GCZDJANXQGPADG-OAHLLOKOSA-N 326.400 1.901 0 40 EDAB O=C(/C=C/c1ccc(Br)cc1)N[C@@H]1CCS(=O)(=O)C1 12977715 JBQQICXCAXLJJN-MJRJWQSSSA-N 344.230 1.766 0 40 EDAB NC(=O)CN1CCCN(C(=O)CCSc2ccccc2F)CC1 69519228 XDPMCXDGZJJVGU-UHFFFAOYSA-N 339.436 1.328 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)COc1ccc(C(N)=O)cc1 69585646 PYBUDRNSKSMBRI-CVEARBPZSA-N 331.416 1.250 0 40 EDAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 3893164 MULNFJIXGSYBJO-CQSZACIVSA-N 330.344 1.757 0 40 EDAB Cc1noc(C2CCN(C(=O)[C@H]3CCCN3C(=O)C3CC3)CC2)n1 63306664 AUWGDMGPJCVOJP-CQSZACIVSA-N 332.404 1.485 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)CCCn2cccn2)CC1 69626944 DDXCPOMWISTTOE-UHFFFAOYSA-N 344.463 1.614 0 40 EDAB CS(=O)(=O)c1ccc(OCCCN2CCc3cncnc3C2)cc1 69739170 NQTUEXDOHWSHIU-UHFFFAOYSA-N 347.440 1.707 0 40 EDAB CNC(=O)C1(NCC(=O)Nc2ccc(OC(F)F)cc2)CCCC1 69740369 OPBAMIRSLUUTHB-UHFFFAOYSA-N 341.358 1.875 0 40 EDAB Cc1cc(=O)oc2cc(OC(=O)C[C@@H]3CCS(=O)(=O)C3)ccc12 4392803 JRXYTOCLUWQEAI-NSHDSACASA-N 336.365 1.832 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@H](Cn3nc(C)nc3C)C2)on1 69849545 JLRYSOAXUGPGIH-AWEZNQCLSA-N 332.408 1.542 0 40 EDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccc(Cl)o1 65434116 BHRIGLLHBFSSJW-NWDGAFQWSA-N 328.796 1.400 0 40 EDAB NS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(OC(F)(F)F)cc1 69902706 AEDBURIOCPVOJN-NSHDSACASA-N 338.351 1.838 0 40 EDAB CC[C@H](C)NC(=O)CNC(=O)N[C@@]1(C(=O)O)CCc2ccccc21 65554180 JDYBQICQZBMBAD-GTNSWQLSSA-N 333.388 1.127 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 65542125 YCFZFBAOWWXCPT-LBPRGKRZSA-N 342.392 1.175 0 40 EDAB O[C@@H](CN[C@H]1CCCN(c2cccnn2)C1)COCc1ccco1 69930022 LBZJMDDGEVBFEF-GJZGRUSLSA-N 332.404 1.206 0 40 EDAB CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(CC(=O)OC)C1=S 4550005 HNIYEZHKZQSKEZ-LBPRGKRZSA-N 349.412 1.006 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CS(=O)(=O)c1ccc(F)cc1F 66206145 MVOXTFOWLRCKHK-UHFFFAOYSA-N 343.355 1.131 0 40 EDAB CCOC(=O)[C@]1(NC(=O)Cn2cc(C)cn2)CCc2ccccc21 70990655 HAAXUDHUEXIOPO-SFHVURJKSA-N 327.384 1.713 0 40 EDAB CC(C)CCC(=O)N1CCN(c2ncnc3nc(N)ccc23)CC1 90072751 CAHBOMPZESOUCH-UHFFFAOYSA-N 328.420 1.692 0 40 EDAB C[C@@H]1COCCN1S(=O)(=O)N(Cc1ccccc1)CC(F)F 80274707 RVRMYLDWYVVOFK-GFCCVEGCSA-N 334.388 1.719 0 40 EDAB CCCc1noc2ncc(C(=O)N3CCn4c(C)nnc4C3)cc12 71185267 RVMCBNIWOYBESK-UHFFFAOYSA-N 326.360 1.731 0 40 EDAB Cc1ccc(CN2CCC(CNS(=O)(=O)c3c[nH]cn3)CC2)cc1 15731692 IQBNUPBHASERJV-UHFFFAOYSA-N 348.472 1.909 0 40 EDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCCn1ccnc1 96014120 NMZJGJRCJWVWFQ-QGZVFWFLSA-N 326.400 1.535 0 40 EDAB Cc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O 16400279 KTNBXWPJFNEHBA-KRWDZBQOSA-N 327.340 1.994 0 40 EDAB CS(=O)(=O)c1ccccc1NC(=O)COC(=O)c1ccsc1 8256174 UOXYIAIMUFMNKV-UHFFFAOYSA-N 339.394 1.947 0 40 EDAB NC(=O)NCc1ccc(C(=O)OCC(=O)c2ccc(O)cc2O)cc1 9478336 FUVQGUVCAXVDGS-UHFFFAOYSA-N 344.323 1.306 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(CCCn2ccnc2)C1)c1ccccc1 96493102 XOZJRQOTHZSCKL-MRXNPFEDSA-N 348.472 1.716 0 40 EDAB COC(=O)c1cccn2cc(COC(=O)[C@H](NC(C)=O)C(C)C)nc12 71880011 QKXWRWIHDYMFDF-CQSZACIVSA-N 347.371 1.325 0 40 EDAB NC(=O)[C@H](CNC(=O)Cc1ccc(F)cc1)Cc1ccc(F)cc1 71826747 GMIUALDURMCMTK-AWEZNQCLSA-N 332.350 1.968 0 40 EDAB C[C@@H](O)[C@H]1CCCCN1Cc1cccc(S(=O)(=O)N(C)C)c1 71883604 LNQYYKOTCXJIGC-CZUORRHYSA-N 326.462 1.672 0 40 EDAB C[C@@H](O)CN1CCN(CCC(=O)N2CCc3ccccc32)C[C@H]1C 71877515 UNEBTBSYXFNRHT-HZPDHXFCSA-N 331.460 1.353 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 71870144 LDVMRBOIKMAJTQ-HOCLYGCPSA-N 330.432 1.502 0 40 EDAB CC(=O)N1CCN(CCNC(=O)CCNc2cc(C)cc(C)c2)CC1 71847341 WOEZSNOYMPYIJK-UHFFFAOYSA-N 346.475 1.386 0 40 EDAB NC(=O)[C@H](CNC(=O)COc1ccccc1F)Cc1ccc(F)cc1 71826744 OKDQMEMFWNYEBF-ZDUSSCGKSA-N 348.349 1.804 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)c1 71870915 RURZKAYIYJDYAW-CYBMUJFWSA-N 337.383 1.905 0 40 EDAB CCN1CCN(C[C@H](C)CNC(=O)c2ccc(N(C)C)nc2)CC1 71841812 GYVDJXIKLZYCOB-OAHLLOKOSA-N 333.480 1.151 0 40 EDAB NC(=O)[C@@H](NC(=O)c1ccn(-c2cccc(F)c2)n1)c1ccccc1 71826948 JAQFWCJINTUTQV-INIZCTEOSA-N 338.342 1.968 0 40 EDAB COc1ccc(NCC(=O)N2CCNC2=O)cc1Br 71900475 DHHNFLFIFAUSPU-UHFFFAOYSA-N 328.166 1.421 0 40 EDAB CCOc1cccc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 71908943 VVLWDIMIDVPAMI-KRWDZBQOSA-N 347.459 1.222 0 40 EDAB CN(Cc1nc(O)n[nH]1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 97032937 JFFNYIIRTLPVMQ-CMPLNLGQSA-N 329.187 1.907 0 40 EDAB COCCN(C)C[C@@H]1CCCN1C(=O)c1cnc2c(c1)ncn2C 97050580 ARDHKZRSADIXRJ-AWEZNQCLSA-N 331.420 1.151 0 40 EDAB Cn1nccc1CNC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 72271510 SBNFOXBHNDPUGY-ZDUSSCGKSA-N 342.321 1.972 0 40 EDAB CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NCC(=O)NC(N)=O 84456901 HNKSCTYOQICLOJ-HNNXBMFYSA-N 330.429 1.100 0 40 EDAB CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CCO1 97490992 KSPGZIBTOQIESK-AWEZNQCLSA-N 332.400 1.634 0 40 EDAB Cc1oc(-c2ccco2)nc1CC(=O)NCCNC(=O)c1ccn[nH]1 95468550 ASDFGDMPHRTDBK-UHFFFAOYSA-N 343.343 1.055 0 40 EDAB NC(=O)C1(CN[C@@H](Cc2ccncc2)C(F)(F)F)CCOCC1 95420243 DZGKPYJKQPNJLL-LBPRGKRZSA-N 331.338 1.427 0 40 EDAB Cn1cc(N2CCC[C@H](NC(=O)NCCCCn3ccnc3)C2)cn1 98014419 MWARXTPYDAQROD-HNNXBMFYSA-N 345.451 1.365 0 40 EDAB CCc1noc(CS(=O)(=O)c2cc(OC)c(OC)cc2C)n1 69885392 UABBYRWCRDEWQB-UHFFFAOYSA-N 326.374 1.932 0 40 EDAB O[C@@H](CN1CCOCC1)Cn1nnc2cc(Cl)c(Cl)cc21 89585590 JLZMOXRERWSBBF-VIFPVBQESA-N 331.203 1.431 0 40 EDAB Cc1ccc(N2CCCN(c3c(C)c(C)nc4ncnn34)CC2)nn1 89652354 MHYVHUBSQDYFTG-UHFFFAOYSA-N 338.419 1.556 0 40 EDAB O=C(C[C@H]1CCCO1)NS(=O)(=O)c1cccc(-c2nnco2)c1 89780761 ATODIXYMPXRSNH-LLVKDONJSA-N 337.357 1.111 0 40 EDAB O=C1NC[C@@H](C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)N1 89787539 QSODBKTWLKWKQM-LBPRGKRZSA-N 327.306 1.878 0 40 EDAB CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 89922072 TYKMPZUMPOQDHO-STQMWFEESA-N 337.445 1.377 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)c(C)c1 408660484 QAXKIBAOMJAANN-CASTZCHQSA-N 343.379 1.983 0 40 EDAB O=C(c1cccc2c1OCO2)N1CCC(c2nnc3n2CCC3)CC1 65611118 VMCUNYLWAZSRGV-UHFFFAOYSA-N 340.383 1.973 0 40 EDAB Cn1ccc(C(=O)N2C[C@H]3[C@@H](C2)N(CC2CC2)C(=O)c2cccn23)n1 306129710 IKSINBHSMNNHSS-JKSUJKDBSA-N 339.399 1.153 0 40 EDAB Cc1csc2nc(SCC(=O)N3CCOCC3)nc(O)c12 408597874 XXWYQQLKMXZUPO-UHFFFAOYSA-N 325.415 1.656 0 40 EDAB C[C@H](CNc1ccccc1S(=O)(=O)C(F)F)N1CCN(C)CC1 78988188 RHTFXSAZRVPQLJ-GFCCVEGCSA-N 347.431 1.731 0 40 EDAB CCc1nc(COc2ccc(C(=O)NCCn3ccnc3)cc2)no1 79356351 ARAGRIYPQVAYQJ-UHFFFAOYSA-N 341.371 1.838 0 40 EDAB Cc1nn(C)c(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1C 78112271 JNIWLFUMFUEXBR-MRXNPFEDSA-N 328.416 1.876 0 40 EDAB Cc1nnc([C@@]23COC[C@@H]2CN(C(=O)c2cccc4[nH]ccc24)C3)o1 1553951730 FVULWVVKYMZNJJ-SGTLLEGYSA-N 338.367 1.900 0 40 EDAB COc1ccc2c(c1)C[C@H](C(=O)N(CCO)Cc1cccnc1)CO2 152483202 UNNMAQPUMPDKAM-INIZCTEOSA-N 342.395 1.662 0 40 EDAB Nc1nccnc1C(=O)NCCCN1CCN(c2ccccc2)CC1 31239661 MJODMVXPAJQXPM-UHFFFAOYSA-N 340.431 1.001 0 40 EDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 218109021 YFJSAXROTFWLGP-FGTMMUONSA-N 346.452 1.600 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](C)c2nccc(N)n2)c1 567658780 GRMUKUFJFGOSCN-ZYHUDNBSSA-N 328.372 1.906 0 40 EDAB Cc1nc2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2s1 71901202 MLQWMGLXAZXOGX-SNVBAGLBSA-N 325.415 1.913 0 40 EDAB CN(C)c1ccc(C2CCN(S(=O)(=O)c3cn[nH]c3)CC2)nc1 72368753 WFTBSXCLIYCYFT-UHFFFAOYSA-N 335.433 1.439 0 40 EDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CO)CO)cc1 218098090 FHDBXSZFCREJTA-IAGOWNOFSA-N 348.420 1.606 0 40 EDAB NC(=O)[C@@H]1CN(CCc2nc(-c3ccc(Cl)cc3)no2)CCO1 77273983 BAVLYRKRJVEYOD-LBPRGKRZSA-N 336.779 1.119 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)COC 217432179 YYKKETWLDBOCGZ-GHMZBOCLSA-N 344.433 1.908 0 40 EDAB C[C@H](C(=O)NCCCc1cnn(C)c1)n1nnc(-c2ccccc2)n1 79933412 UMGAFJRXFSFHDB-CYBMUJFWSA-N 339.403 1.384 0 40 EDAB CNC(=O)c1ccc([C@H]2CN(C(=O)c3scnc3C)CCO2)nc1 72388122 LTFBNVKROYYAFB-CYBMUJFWSA-N 346.412 1.420 0 40 EDAB O=C(CCCn1cncn1)Nc1ccc(-n2cncn2)c(Cl)c1 79045142 GGDAITAEYPRUMJ-UHFFFAOYSA-N 331.767 1.931 0 40 EDAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)COCc1ccccc1F 195531603 BMYBLDKAMZLJRA-RBSFLKMASA-N 335.375 1.878 0 40 EDAB CCOC(=O)/C(=C\N(C)C)c1nnnn1Cc1ccc(OC)cc1 199983104 FYHBRSLSDIIWFL-KAMYIIQDSA-N 331.376 1.196 0 40 EDAB COc1ccccc1NC(=O)Nc1cnc(N2CCOCC2)nc1 224265033 GHSHGVNFODPEDX-UHFFFAOYSA-N 329.360 1.966 0 40 EDAB CCc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1ccc(O)nc1 572802071 NABDVQCHTINDNG-UHFFFAOYSA-N 348.424 1.726 0 40 EDAB CN(c1ccccc1)C1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 328875422 FXNSJZLKNDJGCH-OAHLLOKOSA-N 339.443 1.968 0 40 EDAB Cc1cc(N2CCN(c3cc(=O)n(C)cn3)CC2)nc(C(C)C)n1 575430233 UKISDERXDQSHBR-UHFFFAOYSA-N 328.420 1.329 0 40 EDAB CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)c(F)c1 190344463 DJBGDJWYFCCGTP-CHWSQXEVSA-N 337.370 1.989 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@H]1COc3ccccc3O1)CC2 97200441 YPAWDBVQAXNTSZ-ZDUSSCGKSA-N 326.400 1.741 0 40 EDAB O=C(C1CC=CC1)N1CCOC[C@H]1c1nccc(N2CCOCC2)n1 96218502 WRXFEKKXFZHFKF-HNNXBMFYSA-N 344.415 1.179 0 40 EDAB CCn1nc(C)cc1C(=O)N1C[C@@H]2C[C@H](Cc3nnc(C)o3)O[C@@H]2C1 96216111 AUGPYSVVJWALTI-GZBFAFLISA-N 345.403 1.375 0 40 EDAB Cc1ccc(C(=O)NCc2nnc3ccccn23)c(-n2cnnn2)c1C 96118165 WSJDSIGFRFDFJQ-UHFFFAOYSA-N 348.370 1.252 0 40 EDAB Cn1cc(N2CC[C@@]3(CCN(C(=O)Cc4ccccn4)C3)C2=O)cn1 96159575 BLYOANBOLDBADX-GOSISDBHSA-N 339.399 1.013 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2C[C@@H](C(=O)N3CCOCC3)O[C@H]2C1 96040996 JPQDUJLOAKIBMC-XIRDDKMYSA-N 349.431 1.130 0 40 EDAB Cc1ccc(CN2CCc3nnc(CN4CCCC4=O)n3CC2)s1 96259869 SNWSAWGHMDPEKZ-UHFFFAOYSA-N 345.472 1.829 0 40 EDAB O=C([C@H]1CCCO1)N1CCO[C@@H]2C[C@H](COCc3ccccn3)C[C@@H]21 96082937 IMMXWZYWYJJFHR-BZZMCLGOSA-N 346.427 1.783 0 40 EDAB COC[C@H]1CN(C(=O)c2cccc3c2OCCO3)Cc2cncn2C1 96207486 VPCDXDJTJKXSCR-ZDUSSCGKSA-N 343.383 1.573 0 40 EDAB CC(C)(NS(C)(=O)=O)C(=O)NCc1cccc(Br)c1 96426195 LHHYVGOXXREFSJ-UHFFFAOYSA-N 349.250 1.393 0 40 EDAB COCCN1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1=O 96062937 DANSQWWJHMQPSY-UHFFFAOYSA-N 334.391 1.927 0 40 EDAB Cc1ccc(N2CC[C@H]3O[C@H](C(=O)NCc4ccco4)CC[C@H]32)nn1 96040893 PMSBBYXGJVUCLY-OAGGEKHMSA-N 342.399 1.821 0 40 EDAB CC(C)c1nnc(CNC(=O)N2CCC[C@H](n3ccnn3)C2)s1 581425771 FBTYRPOBUGSPDL-NSHDSACASA-N 335.437 1.800 0 40 EDAB CCOC(=O)c1ncn(C2CCN(C(=O)N(C)C(C)C)CC2)c1N 583651929 VQNKJCYJKKRCFW-UHFFFAOYSA-N 337.424 1.739 0 40 EDAB C[C@@]1(C(=O)O)CCN(S(=O)(=O)c2cc(C(=O)O)ccc2F)C1 1593798075 YZLHYTXVHQYFDY-CYBMUJFWSA-N 331.321 1.009 0 40 EDAB Cc1ccsc1CN1CC2(C[C@@H](OCC(=O)N(C)C)CCO2)C1 247955920 CUZZPLRFBRPBLL-AWEZNQCLSA-N 338.473 1.895 0 40 EDAB Cc1nc(CCN(C)C(=O)c2ccnc(N3CCO[C@H](C)C3)c2)no1 585082631 UPPXUIBAXVWJTF-GFCCVEGCSA-N 345.403 1.313 0 40 EDAB CCNS(=O)(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 241911261 UBASFUXXEMJYKQ-CYBMUJFWSA-N 328.825 1.607 0 40 EDAB Cc1cc(CNC(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)no1 585121887 DWXJFRDTVPKHKX-TZMCWYRMSA-N 344.289 1.410 0 40 EDAB O=C(C(C1CC1)C1CC1)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 585128681 KDKSLDMRXSTOEK-OAHLLOKOSA-N 340.489 1.144 0 40 EDAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccn2nnnc12 585122390 ZDFGTWDXEWDAOY-ZDUSSCGKSA-N 342.428 1.753 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)c3sccc3C)CC2)OC[C@]1(C)O 257291487 QHDHOHKSAFRGCC-BBRMVZONSA-N 338.473 1.791 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCCN1C(=O)C1CCOCC1 257206207 BCIURWYDGXSEMR-GFCCVEGCSA-N 341.433 1.293 0 40 EDAB Cc1ccsc1CN1CCN(C2CCOCC2)C[C@H](C(N)=O)C1 257255477 KHQHIWMRALAVRY-CQSZACIVSA-N 337.489 1.455 0 40 EDAB Cc1cc(C)n(CCCC(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)n1 257325548 WTKYHWAHBRLYSN-IRXDYDNUSA-N 345.447 1.701 0 40 EDAB CC(=O)N1CCN(C(=O)c2csc3c2CCCC3)C[C@@H](C(N)=O)C1 257299455 RQCVXCXBZKYQMT-LBPRGKRZSA-N 349.456 1.033 0 40 EDAB Cc1ccc(CC(=O)N2CCOC[C@H](Cc3cc(O)ncn3)C2)s1 257260797 LEKMQMAWHXIMAJ-CYBMUJFWSA-N 347.440 1.812 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)c1 252487914 IEFPUTVCJPJZKY-ZFWWWQNUSA-N 329.462 1.740 0 40 EDAB CCc1noc(C)c1C(=O)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257251282 JQCLLPFNXXOWQC-LBPRGKRZSA-N 346.387 1.372 0 40 EDAB c1ncc(N2CCC[C@H](Cc3ccc(N4CCOCC4)nn3)C2)cn1 257298142 RKJQNHTWFBTZGW-OAHLLOKOSA-N 340.431 1.562 0 40 EDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(C(=O)c2cc(C)on2)C3)n1 253479740 SAADPMJRSMUAOL-CYBMUJFWSA-N 344.371 1.534 0 40 EDAB CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)C1 604204064 JCADKWXSMCSFDE-QLFBSQMISA-N 347.463 1.946 0 40 EDAB Cc1nc(N2CCC[C@@H]2C(=O)NCC(F)(F)F)c2cnn(C)c2n1 1615538167 CHJPHSPPOPMGMJ-SNVBAGLBSA-N 342.325 1.319 0 40 EDAB CCc1cc(N2CCC[C@H](c3nnc(CO)n3C)C2)nc(CC)n1 1615614463 HAAXCTXSJNTENB-LBPRGKRZSA-N 330.436 1.606 0 40 EDAB O=C(NC[C@@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1)c1cccnc1 575402827 CXCQVCMCWRMXDH-AWEZNQCLSA-N 343.427 1.619 0 40 EDAB COc1ncccc1C(=O)N1Cc2ccnn2CC[C@H]1CN(C)C 585097014 GOEOVGHNJPEEFX-ZDUSSCGKSA-N 329.404 1.263 0 40 EDAB O=C(C[C@H]1CN(c2ncccn2)Cc2cccn2C1)NCC1CC1 585099064 HFSLACYEHQYNJB-OAHLLOKOSA-N 325.416 1.831 0 40 EDAB Cc1sc(=O)n(CCC(=O)N[C@@H]2CCO[C@H]2c2cc[nH]n2)c1C 585123963 TYCFKEGDVSVKGE-BXUZGUMPSA-N 336.417 1.286 0 40 EDAB CC(=O)N1CCC(N2CCO[C@@](CO)(Cc3ccc(C)cc3)C2)CC1 585277576 NDTQPRCCTQLNAR-FQEVSTJZSA-N 346.471 1.612 0 40 EDAB Cn1cc(N2CC[C@]3(CCCN(C(=O)C4(F)CCC4)C3)C2=O)cn1 585100948 KQRXVJRWXWBAKV-INIZCTEOSA-N 334.395 1.658 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)Cc1ccccn1 585287973 KJKYJXAWLCYJEC-HNAYVOBHSA-N 345.443 1.689 0 40 EDAB COc1cncc(N2CCN(C(=O)[C@H](C)OC[C@H]3CCCO3)CC2)c1 585140831 LGLDGCIMGKAJKX-GOEBONIOSA-N 349.431 1.323 0 40 EDAB Cc1cc(CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)ccc1F 585141148 QARXPEFJXGUDQA-UHFFFAOYSA-N 338.408 1.364 0 40 EDAB CCN(CC)[C@H]1CCN(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)C1 585091025 MRTOYQKDQIPHJY-QWHCGFSZSA-N 336.440 1.282 0 40 EDAB CC1CCN(c2ccc(CNC(=O)[C@H](C)n3cncn3)cn2)CC1 44954326 MRGOYXISPOFUKU-AWEZNQCLSA-N 328.420 1.787 0 40 EDAB Cc1cc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)ccc1O 514872738 SETYEMRWBHARLD-UHFFFAOYSA-N 343.387 1.056 0 40 EDAB CN(C[C@H]1CCN(Cc2ccccc2)C1)c1nc(N)nc2[nH]cnc12 97115365 DDEQXIZELSHJNY-CQSZACIVSA-N 337.431 1.893 0 40 EDAB Cc1ccc(Nc2nc(N)nc(CSc3nncn3C)n2)cc1 18010935 MCSWDMPGSLFIKN-UHFFFAOYSA-N 328.405 1.927 0 40 EDAB COCCOc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cc1C 36397733 RVJCRBXPGICQRK-UONOGXRCSA-N 343.445 1.818 0 40 EDAB Cc1ccc(OC[C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)nn1 1888855903 VRABLKBHWPZQTG-CQSZACIVSA-N 330.388 1.860 0 40 EDAB CSc1nc(C)cc(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 1889101148 CDPVIZVYRXWTNH-ZDUSSCGKSA-N 336.461 1.582 0 40 EDAB COc1ccc(C(C)(C)C(=O)N2CCN(C)[C@H](C(=O)N(C)C)C2)cc1 1848356709 ROWVKHUHVMQACZ-INIZCTEOSA-N 347.459 1.204 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCN(c3nc(C)cs3)CC2)CC1 27774570 OPNSVCVMKWRZPA-UHFFFAOYSA-N 336.461 1.359 0 40 EDAB CC1(C)Cc2cccc(OCC(=O)N3CC(Cn4ccnn4)C3)c2O1 1775986057 RQKFWMCMCATLQR-UHFFFAOYSA-N 342.399 1.529 0 40 EDAB Cc1cccc(CN2CC[C@@]23CCCN(C(=O)c2cc[nH]n2)C3)n1 1565552518 YJPYVXRLGBWZQB-GOSISDBHSA-N 325.416 1.994 0 40 EDAB COc1nc(N2CCCC[C@H]2C)nc(-n2nnc(C(C)=O)c2C)n1 54388 GMWYSRJCLABMMM-SECBINFHSA-N 331.380 1.351 0 40 EDAB CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 4941513 HWNMCCWMAJFNJT-CYBMUJFWSA-N 348.399 1.826 0 40 EDAB CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccco3)cc21 5252455 RSCVXDISRXKRHF-UHFFFAOYSA-N 341.367 1.834 0 40 EDAB Cc1cc(SCC(=O)NCc2ccc3c(c2)OCO3)nc(=O)[nH]1 9689665 IZIWAGWHXAMMKU-UHFFFAOYSA-N 333.369 1.216 0 40 EDAB COCCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 9661313 LUXZNIXSGRJDCJ-UHFFFAOYSA-N 340.383 1.442 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1N1CCCC1=O 10220984 ZGRADQZWGROABU-AWEZNQCLSA-N 345.399 1.356 0 40 EDAB O=C(c1cc[nH]n1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 2055785526 YRUZNLCZZZVCRS-CYBMUJFWSA-N 342.403 1.466 0 40 EDAB Cn1cnc2c(N3CCCN(c4ccc5nccn5n4)CC3)ncnc21 2086867362 OQBWUXHAUVUAPI-UHFFFAOYSA-N 349.402 1.123 0 40 EDAB Cn1cc(-c2cncc(CNS(=O)(=O)c3cccnc3)c2)cn1 575414910 ZNXZDNWTWBURRB-UHFFFAOYSA-N 329.385 1.356 0 40 EDAB CC(C)n1cnc(S(=O)(=O)NCCn2cc(-c3ccco3)cn2)c1 575614899 LBWMLZXEWZDFEX-UHFFFAOYSA-N 349.416 1.899 0 40 EDAB Cn1cccc(C(=O)NCc2nccnc2-c2cccs2)c1=O 575621408 XDRLPDSGGJSZDX-UHFFFAOYSA-N 326.381 1.834 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(c2cc3c(nn2)CCC3)C1 618256034 BVBNENMIYSOXEF-CABCVRRESA-N 330.432 1.477 0 40 EDAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)ccc21 814685 UZDVWHQYLHGBAA-UHFFFAOYSA-N 348.336 1.631 0 40 EDAB O=S1(=O)N=C(N2CCN(Cc3ccccn3)CC2)c2ccccc21 40474138 WSTFKAZSUPVVRB-UHFFFAOYSA-N 342.424 1.348 0 40 EDAB O=C1CCc2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2N1 40474064 UWXAMBHJIMAKAB-UHFFFAOYSA-N 337.383 1.324 0 40 EDAB Cn1c(=O)n(CC(=O)NC[C@H]2Cc3ccccc3O2)c2ccccc21 32006012 XIGGYBNNTCKXKD-CQSZACIVSA-N 337.379 1.460 0 40 EDAB CCCn1cc(CNc2c(NCCCN(C)C)c(=O)c2=O)c(C)n1 101684549 SUMNPSCXQMTDJY-UHFFFAOYSA-N 333.436 1.173 0 40 EDAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 187535 JBPNETUJKFMEDT-UHFFFAOYSA-N 326.403 1.349 0 40 EDAB O=C(NCc1ccccc1)C1CCN(Cc2nnnn2C2CC2)CC1 29964416 DXBRSYXNVHMMRK-UHFFFAOYSA-N 340.431 1.536 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)COCc3ccccc3)CCO2)n1 76045031 AKEPCICPFBOQOA-XJKSGUPXSA-N 344.415 1.866 0 40 EDAB COc1ccc(-c2nnn(CC(=O)NCCC(C)C)n2)cc1OC 1360634 QISPLICCGFEIBO-UHFFFAOYSA-N 333.392 1.520 0 40 EDAB O=C(N[C@H]1CC=CCC1)N1CCN(C(=O)c2ccccc2O)CC1 77641244 IRRHQEQDLTUDRP-AWEZNQCLSA-N 329.400 1.968 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1cn(-c3ccccc3)nn1)CC2 78931456 BXAIIUYKXQDNMZ-UHFFFAOYSA-N 336.399 1.402 0 40 EDAB COC(=O)Cc1cnc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)s1 4197536 NJTABUOLHYYUDX-FCMYFTRRSA-N 338.385 1.544 0 40 EDAB COc1ccc2c(c1)[nH]c1c(N3CCN(C(N)=O)CC3)ncnc12 531333 UAWHUQSICLSVSY-UHFFFAOYSA-N 326.360 1.320 0 40 EDAB CC(C)Cc1nc(NCCO)c2nnn(Cc3ccccc3)c2n1 4898932 BDYVFJDUXLZQTC-UHFFFAOYSA-N 326.404 1.872 0 40 EDAB CCc1noc(C)c1C(=O)OCCN1C(=O)c2ccccc2C1=O 7653728 KLQTYCGDQKNJJF-UHFFFAOYSA-N 328.324 1.998 0 40 EDAB Cc1ccc(-c2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)on2)cc1 41810930 DYRHVSXZHBTZEU-GFCCVEGCSA-N 334.397 1.815 0 40 EDAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(O)c1 8338740 HEUUIEXNALQXSO-NSHDSACASA-N 342.351 1.984 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 22806962 XLADUNIJBMRQIY-HNNXBMFYSA-N 337.439 1.137 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)NC)CC1)CO2 61233409 WKDLBJFFDULZMD-UHFFFAOYSA-N 344.411 1.846 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)cs1 42360664 VWUSWLWTUBWZMU-UHFFFAOYSA-N 332.429 1.108 0 40 EDAB CC(C)[C@@H](CNC(=O)Cn1nc(-c2ccccc2)oc1=O)N(C)C 42484209 ISZZWVYYROWQIF-CQSZACIVSA-N 332.404 1.206 0 40 EDAB Cn1ncc2c(NCC3(N4CCOCC4)CCCCC3)ncnc21 12485736 QNEYJYBZXHMSIV-UHFFFAOYSA-N 330.436 1.810 0 40 EDAB O=C(c1ccccn1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108533072 RTGDNNPWUFIMGY-ROUUACIJSA-N 338.411 1.592 0 40 EDAB O=C(O)[C@@H](CCC(F)(F)F)NS(=O)(=O)Cc1ccccc1 97101854 GLQAFGAYLZQIMV-SNVBAGLBSA-N 325.308 1.902 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 56489575 OICSCGMXNQYBMF-ZBEGNZNMSA-N 347.415 1.733 0 40 EDAB CN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H]1c1ccc(Cl)cc1 108141432 JNBRDTGMYUAKNK-BBRMVZONSA-N 346.818 1.609 0 40 EDAB CN(C)[C@@H](CNC(=O)CCc1nc(-c2cccnc2)no1)C1CC1 47922084 DZPHNSMOSHWSMR-AWEZNQCLSA-N 329.404 1.521 0 40 EDAB O=c1c(C(F)(F)F)cccn1CCNS(=O)(=O)c1ccccc1 58153654 FPQHJCQJJVADLL-UHFFFAOYSA-N 346.330 1.846 0 40 EDAB Cc1cc(O)n2nc(CC(=O)NCCCc3ccccc3)nc2n1 102726817 AUOIBLWBGRBMAK-UHFFFAOYSA-N 325.372 1.430 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)COc1ccc2c(c1)CCC(=O)N2 44840464 ZFOUXQNZIXCERV-OAHLLOKOSA-N 345.399 1.029 0 40 EDAB COC(=O)c1ccc2ccccc2c1OCC(=O)N1CCOCC1 48264647 AHBZXBPZCFORPD-UHFFFAOYSA-N 329.352 1.864 0 40 EDAB CCOC(=O)C[C@@H](NC(=O)N[C@@H](C)C(=O)N(C)C)c1ccccc1 58265230 JVYHJGZQBJXBIO-GXTWGEPZSA-N 335.404 1.457 0 40 EDAB O=C(NCCNc1ccccn1)NC[C@@H]1COc2ccccc2O1 44910091 KLOHWHUFIDUQTB-CYBMUJFWSA-N 328.372 1.633 0 40 EDAB COCCN(Cc1ccn(C)c(=O)c1)Cc1cccc2c1OCO2 48253570 BQQXUHVOSIUKBJ-UHFFFAOYSA-N 330.384 1.763 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1CCc1nc2ccccc2c(=O)[nH]1 44978325 FDEXILXZTCPKMU-UHFFFAOYSA-N 340.383 1.720 0 40 EDAB Cc1cc(NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)no1 44936960 KTOFGSJLBKOKGS-LBPRGKRZSA-N 331.376 1.925 0 40 EDAB O=C1COc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2N1 42232261 PXHSLYMGAANWMW-UHFFFAOYSA-N 332.337 1.136 0 40 EDAB O=C(c1ccc2c(c1)CCO2)N1CCN(C(=O)[C@H]2CCCO2)CC1 45119692 HGSVQLWDDWVGET-MRXNPFEDSA-N 330.384 1.085 0 40 EDAB Cn1c(=O)c2cc3c(nc2n(C)c1=O)C[C@H](c1ccccc1)CC3=O 2325854 VZZCFOWJTLPKRM-LBPRGKRZSA-N 335.363 1.545 0 40 EDAB CCCCCn1c(N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 2355029 OHSRLWRNDFVKMI-UHFFFAOYSA-N 333.436 1.614 0 40 EDAB COc1ccc(C(=O)Cn2nnn(-c3cccs3)c2=O)c(OC)c1 48356605 HTFXRZFONQIRKT-UHFFFAOYSA-N 346.368 1.391 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)CCc2ccccc2F)cc1 8428672 LHLDLEYHHBPFJV-UHFFFAOYSA-N 336.388 1.722 0 40 EDAB CCC(=O)N1CSC[C@H]1C(=O)N1CCC(CN(CC)CC)CC1 69580716 SSYGYGJCGOIXBE-HNNXBMFYSA-N 341.521 1.878 0 40 EDAB O=C(CN1CCCC[C@@H]1C1OCCO1)NC(=O)NC1CCCCC1 69535262 YRFHVTRWFCAZKQ-CQSZACIVSA-N 339.436 1.372 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@H](C)n1c(=O)oc3ccccc31)C2 69656148 USBYGLDYLYNSLU-JTQLQIEISA-N 327.344 1.098 0 40 EDAB CC(=O)c1c[nH]c(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 69704876 KLXWNEOIXADXAM-OAHLLOKOSA-N 325.368 1.748 0 40 EDAB Cc1nc([C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)c2ccccc2)n[nH]1 69775594 AWGNGZAJJSBDIL-FZMZJTMJSA-N 343.431 1.870 0 40 EDAB CC/N=c1\sc(C(=O)NCCc2ccccc2)cc(=O)n1CC 17952082 FMOZCPFOZJAANZ-ZCXUNETKSA-N 331.441 1.823 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2nc(C)nn21 13728147 NBMOJDLPHUJAOV-JTQLQIEISA-N 335.751 1.771 0 40 EDAB CCN1C(=S)N(c2ccc3c(c2)OCO3)[C@@H]2CS(=O)(=O)C[C@H]21 13720320 UQTULVTYFRDMRQ-GHMZBOCLSA-N 340.426 1.008 0 40 EDAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)NCC(C)(C)N1CCOCC1 69842773 POOAXMAKKUWCCL-HOTGVXAUSA-N 347.459 1.961 0 40 EDAB COc1ccc([C@@H](CNC(=O)N[C@H](C)c2nncn2C)N(C)C)cc1 65454306 NWLPPVHLZAKTEE-IUODEOHRSA-N 346.435 1.487 0 40 EDAB CC(C)c1ccc(C(=O)NC2CCN(c3nnnn3C)CC2)c(O)c1 65490519 TXGMYGWUMMIOIQ-UHFFFAOYSA-N 344.419 1.438 0 40 EDAB CN(Cc1ccc(/C=C/C(=O)NCc2ccco2)o1)S(C)(=O)=O 20449847 KCTOKVILRKVSBC-BQYQJAHWSA-N 338.385 1.594 0 40 EDAB COc1cccc(-c2c[nH]cc2C(=O)N2CCN(C[C@H](C)O)CC2)c1 69928557 LKNJVZHLBIWXID-AWEZNQCLSA-N 343.427 1.829 0 40 EDAB Cc1cccc(C)c1-n1nnnc1S[C@@H](C)C(=O)N1CCOCC1 14182248 WEDXJAPRYREKPN-ZDUSSCGKSA-N 347.444 1.619 0 40 EDAB C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)[C@H]1CCCO1 65610128 JYGJLRZQQVWFAG-CZUORRHYSA-N 347.415 1.427 0 40 EDAB Cc1noc(N)c1C(=O)OCC(=O)N(CC(F)(F)F)[C@@H](C)C1CC1 14236794 KYVSFXBDSFKBMC-QMMMGPOBSA-N 349.309 1.911 0 40 EDAB COc1ccc(COC[C@H](O)CN2C(=O)CC3(CCCC3)C2=O)cc1 14235895 LMWKZCAEZLQACC-OAHLLOKOSA-N 347.411 1.892 0 40 EDAB CN(C(=O)c1ccc(N2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 14200181 OGZFDJQOBYDYAC-AWEZNQCLSA-N 336.413 1.073 0 40 EDAB Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c1 6583499 YMOFFUCDKQWDEK-UHFFFAOYSA-N 347.371 1.116 0 40 EDAB O=S1(=O)C[C@H]2NC(=S)N(c3cccc(Cl)c3Cl)[C@H]2C1 6719268 PPZWBPSMPZTHKB-APPZFPTMSA-N 337.253 1.854 0 40 EDAB CN(C)c1cccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 6976286 KUQCIVQGLZISAP-UHFFFAOYSA-N 330.388 1.652 0 40 EDAB COc1cccc(N2C(=O)/C(=C/NCCO)c3ccccc3C2=O)c1 5996635 CNNHYCZQGRJJLI-SFQUDFHCSA-N 338.363 1.805 0 40 EDAB O=C(CNC(=O)c1ccc(Br)o1)Nc1nccs1 7038837 MLXNTCWYPARCNI-UHFFFAOYSA-N 330.163 1.867 0 40 EDAB CCCCS(=O)(=O)NCC(=O)N1C[C@H](C)Oc2cc(F)ccc21 90054927 PZXCPIVGZHJMGP-NSHDSACASA-N 344.408 1.659 0 40 EDAB COC(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 7136635 KQFBNVNBKSABJS-UHFFFAOYSA-N 337.335 1.822 0 40 EDAB C[C@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(C(N)=O)cc1 7235418 IUIWBRBHPGTSFU-VIFPVBQESA-N 345.428 1.911 0 40 EDAB C[C@H](NC(=O)CS(=O)(=O)N(C)C)c1ccccc1Br 96010417 VLOKINFBHAQDDY-VIFPVBQESA-N 349.250 1.518 0 40 EDAB COc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCCO2)cc1 68113100 GRQVDWWOMVVWKO-KGLIPLIRSA-N 336.413 1.714 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1cccs1)C2=O 7823728 FBRMGIWADWUTTD-SJKOYZFVSA-N 349.456 1.908 0 40 EDAB CNC(=O)[C@@H](C)CN(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1 81446536 USVJACGELUDGSI-AWEZNQCLSA-N 345.443 1.379 0 40 EDAB CNC(=O)C(=O)NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 8188356 KBUXKJULQLHVFI-ZETCQYMHSA-N 332.187 1.033 0 40 EDAB O=C(CCc1cccnc1)N1CC(S(=O)(=O)NC2CCCC2)C1 96005440 VDFRKXGBLYVKIB-UHFFFAOYSA-N 337.445 1.087 0 40 EDAB CC(=O)c1c[nH]c(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 8258400 KUVOWNICKRYTLB-UHFFFAOYSA-N 330.296 1.742 0 40 EDAB NC(=O)COC(=O)CCC[S@@](=O)c1ccc(Br)cc1 70039120 UYUSRBQHHVXQOJ-IBGZPJMESA-N 348.218 1.365 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCN(CCN3CCCC3=O)CC2)n1 69386550 XLZFPCFBXVWYLV-CQSZACIVSA-N 335.452 1.494 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)CN1CCO[C@H](Cn2cccn2)C1 69375820 FNKPMLGZMKWQCK-KRWDZBQOSA-N 346.406 1.382 0 40 EDAB COc1ccc(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 8342993 GYXHGOAIJXIZOZ-UHFFFAOYSA-N 347.396 1.386 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)c1 8380050 SDADQMYIQRNNHK-GJZGRUSLSA-N 336.457 1.792 0 40 EDAB O=C(CNC(=O)NCc1ccco1)NC[C@H]1C[C@@H]1c1ccccc1 96405491 IEWBXKSXAVDQTK-GDBMZVCRSA-N 327.384 1.999 0 40 EDAB CC(C)n1cnc([C@H]2CNC[C@@]23CCN(Cc2ccncc2)C3=O)c1 306141830 WHQLDHXIBWUOKN-APWZRJJASA-N 339.443 1.965 0 40 EDAB CN(c1cccnn1)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 71863507 SPPIIBSNBKRFPU-UHFFFAOYSA-N 326.404 1.429 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccncc1 71896813 INBWXYFOBZMKCH-SFHVURJKSA-N 325.412 1.755 0 40 EDAB CCOC1CCN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)CC1 71821445 VOWKYLOJXGBSLA-VMPITWQZSA-N 332.400 1.591 0 40 EDAB CN1C(=O)CCc2cc(NC(=O)c3ccccc3-n3cnnn3)ccc21 71847633 OCBPMKMPFHFQBB-UHFFFAOYSA-N 348.366 1.824 0 40 EDAB Cc1nc(CCC(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)cs1 71903535 URXQAPDEEKCKIM-UHFFFAOYSA-N 346.412 1.238 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H](CCO)CSC)C2 83970101 BOQIJUBZDLYICC-OLZOCXBDSA-N 325.430 1.477 0 40 EDAB CNS(=O)(=O)CCCN1CCC[C@@H](n2cnc3ccccc32)C1 95395059 STTVEKGOULURDG-CQSZACIVSA-N 336.461 1.613 0 40 EDAB O=C(C1CCCCC1)N1CCN(Cc2cc3n(n2)CCCNC3)CC1 72145793 PLRIRYPKYLLGAR-UHFFFAOYSA-N 345.491 1.601 0 40 EDAB C[C@@H]1CN(C(=O)CN(Cc2cccnc2)Cc2ccco2)CCO1 97080443 FPCKQBQBEIEPCX-OAHLLOKOSA-N 329.400 1.924 0 40 EDAB O=C(Nc1ccc(O)cc1F)[C@@H](Cc1ccccc1)n1cnnn1 97098067 SZSAYTVKOCBIDD-OAHLLOKOSA-N 327.319 1.940 0 40 EDAB Cc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 72286803 FSBMCYGQEPKAIA-UHFFFAOYSA-N 338.367 1.763 0 40 EDAB COCCOc1cccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 72269534 XEYGCZKBVLNERA-QZTJIDSGSA-N 348.443 1.383 0 40 EDAB COc1c([C@H]2CCCN2c2cc(C)nc3ncnn23)c(C)nn1C 72276567 QWHTUJPTLSYIKV-GFCCVEGCSA-N 327.392 1.825 0 40 EDAB COC(=O)CN(CC1CC1)C(=O)c1cccc(NS(C)(=O)=O)c1 72283087 PYAZXLQEHXMNBG-UHFFFAOYSA-N 340.401 1.083 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCCSCC(=O)O)[C@@H]1c1cccs1 95425377 SKKSVITUDFMIOH-NOZJJQNGSA-N 342.442 1.202 0 40 EDAB Cc1nc(CN(C)[C@@H]2CCN(Cc3cccc4c3OCCO4)C2)no1 95402244 QWFSRKOHDCDIFB-OAHLLOKOSA-N 344.415 1.856 0 40 EDAB C[C@@H](Sc1ccccn1)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 84976924 DNSNAZVKZQRRQS-HZPDHXFCSA-N 348.516 1.801 0 40 EDAB CS(=O)(=O)NCCC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 95955513 WUSRXDFYRFVHHI-ZFWWWQNUSA-N 344.408 1.101 0 40 EDAB CN(C)c1ccncc1CNC[C@@]1(N2CCOCC2)CCSC1 95996704 MECDISKPZDGMFA-KRWDZBQOSA-N 336.505 1.445 0 40 EDAB CN1C(=O)CC[C@H](C(=O)OCc2cncs2)[C@@H]1c1cnn(C)c1 95997325 GREDJIMAQMQURM-JSGCOSHPSA-N 334.401 1.530 0 40 EDAB CCOc1ccnc(N2CCN(Cc3cc(OC)cc(C)n3)CC2)n1 89272223 KWZUNFGPVFLRJC-UHFFFAOYSA-N 343.431 1.910 0 40 EDAB Cn1cc(C(=O)NC2CCN(CC3(O)CCCCC3)CC2)ccc1=O 89344451 TYQHHOMJHUBMNQ-UHFFFAOYSA-N 347.459 1.275 0 40 EDAB Cc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1cccnc1 89591092 LFZOAHTXCYDUNA-UHFFFAOYSA-N 346.456 1.943 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N1CCC[C@@H](Cc2nccn2C)C1 89904443 SIQUAHAVDFHMLK-KGLIPLIRSA-N 331.424 1.064 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)COC)cc1NC(=O)CC 408697449 JIKHJQQYAHDJNJ-LLVKDONJSA-N 344.433 1.747 0 40 EDAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC2(CC1)OCCO2 24995812 IMCZKFYOMNQHKM-CYBMUJFWSA-N 333.388 1.562 0 40 EDAB CC(C)(CF)NC(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1548453707 GDWGUVQVWBSPQK-UHFFFAOYSA-N 330.363 1.692 0 40 EDAB NC(=O)c1cccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)c1 514649104 WJJRDHGBSNMDPQ-HNNXBMFYSA-N 336.399 1.515 0 40 EDAB Cc1cc(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)cc(C)c1F 527559613 GBZLXELBDCGUOR-XBFCOCLRSA-N 332.379 1.845 0 40 EDAB COc1ccc(NC(=O)N[C@@H]2CCCNC2=O)cc1N1CCCC1=O 78394852 OOOVUUDFEQBENY-GFCCVEGCSA-N 346.387 1.222 0 40 EDAB O=C1CC[C@H](NC(=O)c2cnc(-c3ccccc3Cl)nc2)C(=O)N1 1538937457 ASAKWTGNVOJTKY-LBPRGKRZSA-N 344.758 1.332 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCCc2ccccc2)[C@H]1c1ccccc1 72238077 ZVIUOHLOJMQWFZ-RTBURBONSA-N 338.407 1.944 0 40 EDAB CC(C)(C)C(=O)COC(=O)c1sccc1S(=O)(=O)NC1CC1 10561422 RGKAUDCXXSRUPG-UHFFFAOYSA-N 345.442 1.961 0 40 EDAB CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)NC)ccc2C)CCO1 30852070 NBIYHARZLORPLG-LBPRGKRZSA-N 326.418 1.154 0 40 EDAB NC(=O)c1nnn(-c2ccc(NC(=O)Cc3cccs3)cc2)n1 70999188 AHDMQJGCWIIBNH-UHFFFAOYSA-N 328.357 1.004 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1c(-n2cnnn2)sc2c1CCCC2 32075030 RHSUDUBPVHNKGL-JTQLQIEISA-N 333.417 1.511 0 40 EDAB CC(C)(C)C(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 44869005 ZBLZTTSOSHZWGO-UHFFFAOYSA-N 326.418 1.248 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@@H](CN)C[C@@H]2C)c2cccnc12 563121545 LCHCEHFOINXLPS-NWDGAFQWSA-N 335.429 1.601 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2c(C)cc(C)cc2C)C1 78602861 UEOIMWGXZGHARE-MRXNPFEDSA-N 347.459 1.777 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@H]1c1ncnn1Cc1ccccc1 225450664 ACTLPDNPPGFFCP-HNNXBMFYSA-N 348.428 1.192 0 40 EDAB Cc1nc2c([nH]1)CC[C@H](C(=O)NC[C@@H]1COc3ccccc3O1)C2 225522496 HIAFUIPIJSFMKK-QWHCGFSZSA-N 327.384 1.779 0 40 EDAB Cc1cnc(C(=O)N[C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)cn1 96067659 XCZWCNIZXTYIOW-OAHLLOKOSA-N 338.411 1.644 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1ccnc(-n2ccnc2)c1 96406120 XMHMLJPOFUMHQU-UHFFFAOYSA-N 333.373 1.351 0 40 EDAB CCS(=O)(=O)N1CC[C@@]2(CCCN(C(=O)c3cccnc3)C2)C1 96047066 AGFUJSUBOWKYEC-MRXNPFEDSA-N 337.445 1.359 0 40 EDAB O[C@@H]1[C@@H](NC2Cc3ccccc3C2)CO[C@H]1CN1CCC(F)(F)C1 514289173 YHZDBMXZZKTOGL-YESZJQIVSA-N 338.398 1.213 0 40 EDAB biogenic,in-vitro c1cc(CN2CCC[C@]3(COCCN(Cc4c[nH]nn4)C3)C2)cs1 96049498 MEWCXELGVFUVEL-KRWDZBQOSA-N 347.488 1.981 0 40 EDAB 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O=C(NCCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(CC3CC3)C[C@@H]21 96043522 GQWGRZLBFIUDSZ-GUDVDZBRSA-N 343.471 1.877 0 40 EDAB CN(C)C(=O)N1CCC2(CCN(C(=O)c3cnccn3)CC2)CC1 96047326 NQCIPYFYALTNJK-UHFFFAOYSA-N 331.420 1.476 0 40 EDAB O=C(c1c[nH]cn1)N1CCC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 96073759 BXFSVVTWOTYBNZ-YVEFUNNKSA-N 345.378 1.820 0 40 EDAB Cc1ccsc1CN1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 96108706 LULNIIOWRWAMGF-PBHICJAKSA-N 338.473 1.610 0 40 EDAB CC(C)(C)[C@@H](O)C(Br)(Br)S(C)(=O)=O 96520854 JPVHXVHPKBCPCJ-RXMQYKEDSA-N 338.061 1.882 0 40 EDAB CN(C)c1cc(CN2CCc3ccc(S(N)(=O)=O)cc32)ccn1 97373555 MJJHMJDXXMNWBS-UHFFFAOYSA-N 332.429 1.358 0 40 EDAB O=C(c1ccoc1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96108956 KLHFHINZNNNNGS-SJLPKXTDSA-N 328.368 1.980 0 40 EDAB COCC[S@@](=O)CC(=O)NCc1cc(Br)cs1 96475646 GWBCULNALZQRNH-KRWDZBQOSA-N 340.264 1.522 0 40 EDAB COCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1nc(C)cs1)C2 96064834 WLLTYYCHXVAIGJ-CZUORRHYSA-N 339.461 1.195 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)OCC[C@H]2CCOc1ccccn1 247550536 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0 40 EDAB O=S(=O)(c1cc(F)ccc1NCCO)N1CCOC2(CCC2)C1 1615046505 DWCVYUWOBLRXBF-UHFFFAOYSA-N 344.408 1.174 0 40 EDAB Cc1c(C(=O)O)cccc1S(=O)(=O)N[C@]1(C(=O)O)CCC[C@@H]1C 1615587586 IBJVFRZBUNYANQ-BJOHPYRUSA-N 341.385 1.615 0 40 EDAB Cn1nc(CNC(=O)[C@@]23CCCC[C@@H]2NCC3)cc1C(F)(F)F 1615555395 SIYRHWWSCGLQJY-SMDDNHRTSA-N 330.354 1.977 0 40 EDAB C[C@@]1(CNC(=O)c2ccsn2)CCN(C(=O)c2ccsn2)C1 296416050 VKLKWOIYUXYRRR-AWEZNQCLSA-N 336.442 1.882 0 40 EDAB Cc1cc(C)nc(O[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 390828863 UZXCHNYFYUGAQQ-GFCCVEGCSA-N 339.442 1.997 0 40 EDAB CNC(=O)[C@]1(C)CN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CCO1 585289900 WSOFDWHWHCJELW-FAJBIJEISA-N 348.443 1.184 0 40 EDAB CCc1ccc(C(=O)N2C[C@@H]3C[C@@H](CC(=O)N4CCC4)O[C@@H]3C2)cn1 585109383 MGCNOYXJLKKSCV-BHYGNILZSA-N 343.427 1.496 0 40 EDAB CN(C)c1ccc(CCCNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 44946214 RWVHCUOESJAKOR-AWEZNQCLSA-N 339.461 1.172 0 40 EDAB C[C@H](Cc1ccccc1F)NC(=O)CN(C)c1ncnc2[nH]cnc12 56146705 QIBASSNTCOUVLO-LLVKDONJSA-N 342.378 1.676 0 40 EDAB CCN(CC)[C@@H](CNC(=O)CN(C)c1cnccn1)c1ccco1 58342657 OCQIDFJKEMGIJI-AWEZNQCLSA-N 331.420 1.705 0 40 EDAB CCCN(CC(=O)N(C)C)C(=O)c1cnn(-c2ccccc2F)c1 58696102 CPUOOPIOQNAPEI-UHFFFAOYSA-N 332.379 1.952 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)CNc1cnn(C)c(=O)c1Cl 67904103 JCOAKMCSBUOMBV-LBPRGKRZSA-N 337.807 1.902 0 40 EDAB Cc1ccsc1CCC(=O)N1CCC(N2C(=O)CNC2=O)CC1 585332048 CYUWRPNGCINERG-UHFFFAOYSA-N 335.429 1.532 0 40 EDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(N[C@@H]1c3ccccc3C[C@@H]1O)C2 1615001042 KGUCYXCTSAMSDN-NXNVCVFFSA-N 336.457 1.189 0 40 EDAB Cn1c(CNC(=O)[C@@H]2NCCOc3ccccc32)nnc1C1CC1 1615616560 UCPYXUFSODSUER-OAHLLOKOSA-N 327.388 1.032 0 40 EDAB CCn1ccnc1N1CCN(CC(=O)NCc2ccc(C)cc2)CC1 11695748 WQWZUATVKQTDHG-UHFFFAOYSA-N 341.459 1.650 0 40 EDAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)NC2=NC(=C(C)C)NN21 14607187 XKRCZANXKSRYPX-GFCCVEGCSA-N 343.387 1.340 0 40 EDAB CCS(=O)(=O)c1ccc(NC(=O)CN2CCSC2=O)cc1 14804687 PMONYVPHVAJXRK-UHFFFAOYSA-N 328.415 1.588 0 40 EDAB CCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1 16638838 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40 EDAB CN(C)CCN1CC[C@]2(CCCN(C(=O)C3(F)CCC3)C2)C1=O 1614948791 UKQGICYHDMZGSA-INIZCTEOSA-N 325.428 1.281 0 40 EDAB COCCN1CC[C@]2(CCCN(C(=O)c3csnn3)CC2)C1=O 1614947933 PEILBGNSRSMONT-OAHLLOKOSA-N 338.433 1.029 0 40 EDAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3cc(C4CC4)on3)C2)C1 1565544162 SJLUASJIOBBKJV-UHFFFAOYSA-N 332.404 1.818 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)C1CC(F)C1)CC2 1565546523 FUJPOVCVPIXBPQ-UHFFFAOYSA-N 326.412 1.612 0 40 EDAB COc1cccc(N2C[C@H](NC(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)c1 4373273 YRLFJJGXRLIRBJ-HZSPNIEDSA-N 347.415 1.619 0 40 EDAB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)N(C)C 10331165 DCYGAIFXPWPAPG-CYBMUJFWSA-N 331.372 1.646 0 40 EDAB O=C(NCc1nnnn1-c1ccccc1)Nc1ccc2c(c1)OCO2 15865263 RSTQFDAHBAFOOY-UHFFFAOYSA-N 338.327 1.713 0 40 EDAB c1csc(CN[C@@H]2CCc3onc(CN4CCOCC4)c3C2)n1 2055734904 WZNYITAYCCCJMY-GFCCVEGCSA-N 334.445 1.610 0 40 EDAB O=C(N[C@H]1CCc2onc(CN3CCOCC3)c2C1)c1ccccc1 2055734696 MFENTLGCBXOZGP-HNNXBMFYSA-N 341.411 1.794 0 40 EDAB O=C(CN1C(=O)CCC1=O)N1CC(Oc2nc3ccccc3s2)C1 206657974 YYIAXEDRAWERPM-UHFFFAOYSA-N 345.380 1.035 0 40 EDAB CCCc1c(C(=O)N2CCNC(=O)C2)cnn1Cc1ccccc1 40535433 FSOCKDPZDJWYRA-UHFFFAOYSA-N 326.400 1.456 0 40 EDAB COc1ccc(NC(=O)Cn2nc3c(cc2=O)CCCC3)c(OC)c1 21110257 CDDRKRGYODPPGQ-UHFFFAOYSA-N 343.383 1.778 0 40 EDAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC(C(N)=O)CC1 21334655 HLAOKYNGLCKMNV-HNNXBMFYSA-N 337.464 1.431 0 40 EDAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C(=O)O)cc1 132764 LWTZMBMIRIWHJU-ZDUSSCGKSA-N 328.328 1.828 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2ccc3ccccc3n2)CC1 46448002 JEXFIARLMWWAQE-UHFFFAOYSA-N 326.400 1.175 0 40 EDAB C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1ccc(N2CCOCC2)nc1 76091947 XOYIMSCWEFLHMT-HOCLYGCPSA-N 347.463 1.722 0 40 EDAB CCO[C@@H](C)c1noc(CN2CCO[C@H](CNc3cccnn3)C2)n1 76049830 DODXVCUFZGWKNM-QWHCGFSZSA-N 348.407 1.270 0 40 EDAB Cc1noc(-c2cccnc2N2CCN(CC3CCOCC3)CC2)n1 78293087 OGJDTFBXFJWRKE-UHFFFAOYSA-N 343.431 1.989 0 40 EDAB CCc1noc(CN(C)C(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)n1 78487999 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COc1ccc(F)cc1C(=O)N1CCO[C@@H](c2nc(C)cc(O)n2)C1 257340422 ZGADGBCEDRMTOG-CQSZACIVSA-N 347.346 1.852 0 40 EDAB CCc1ccc([C@@H](COC)NS(=O)(=O)CC(=O)OC(C)C)o1 585115617 KOMPBTRKOWESHE-GFCCVEGCSA-N 333.406 1.401 0 40 EDAB CCN(CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 585114981 HXNZEFHKZJDUOU-GJZGRUSLSA-N 326.485 1.615 0 40 EDAB COc1cc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)sn1 585129997 DRAKLNALVNDDMC-VXGBXAGGSA-N 325.434 1.381 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cc(C(F)F)on2)C1 585121831 BKBOMBFLPYRINX-SNVBAGLBSA-N 327.331 1.991 0 40 EDAB Cc1ccnc([C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1 257342620 ZPLOTBBUVTVOBQ-INIZCTEOSA-N 347.440 1.762 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257232698 GMADLMNNLYIBEJ-ZDUSSCGKSA-N 346.387 1.047 0 40 EDAB Cc1nn(C)c(Cl)c1CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 585655479 OVFRPPHDUQFSLL-YPMHNXCESA-N 344.818 1.153 0 40 EDAB Cc1cncc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)c1 257266181 MBXKNXGBXMBRHW-GOSISDBHSA-N 341.415 1.284 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1c1cncc(-c2ccc(C(=O)O)cc2)n1 257209042 BOTCAABWNWRXSF-HNNXBMFYSA-N 347.396 1.938 0 40 EDAB CCc1cc(C(=O)NC[C@@]2(O)CCCN(c3cc(C)ncn3)C2)no1 257320227 VVWBMSORFQJPAD-KRWDZBQOSA-N 345.403 1.097 0 40 EDAB COc1ccc(C2=NN(/C=C3\SC(=O)NC3=O)[C@@H](C(=O)O)C2)cc1 256028083 RRZYFODODQGLHX-HBZGRHIISA-N 347.352 1.383 0 40 EDAB O=S(=O)(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1ccc(F)c(F)c1 253473878 ZKWOBYNVFLWUQM-FZQKWOKYSA-N 333.356 1.580 0 40 EDAB CCS(=O)(=O)N1CCN(C(C)=O)[C@H](c2ccccc2OC)C1 257211307 BYKJJVNFHSPXLV-AWEZNQCLSA-N 326.418 1.250 0 40 EDAB O=C(O)[C@@H](O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1610722940 FVSSPERADBNFFM-HNNXBMFYSA-N 339.413 1.022 0 40 EDAB O=C(N[C@@H]1C[C@H]1C(F)(F)F)N1CCCS(=O)(=O)C[C@H]1C1CC1 1615553977 OOWVMNHSMBEQSA-MXWKQRLJSA-N 340.367 1.546 0 40 EDAB O=S(=O)(NCCn1ccc(-c2ccncc2)n1)c1cccs1 96098811 LYGFMSPREABZPK-UHFFFAOYSA-N 334.426 1.985 0 40 EDAB CC[C@@](C)(COc1ncccc1Cl)NC(=O)[C@@H]1COCCN1C 390834733 VLDSECGCUALYDI-BBRMVZONSA-N 341.839 1.729 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C[C@H](OCc3ccncc3)CCO2)C1 575403632 IETAAWJAZVQARE-JKSUJKDBSA-N 332.400 1.395 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)c3cccnn3)CCO2)c1 585276390 NYZDTOULTONXHF-GOSISDBHSA-N 327.384 1.231 0 40 EDAB COC[C@]1(CC(=O)NCCc2ccccc2C)CN(C(C)=O)CCO1 585281091 SXZLYURKJFMBDP-IBGZPJMESA-N 348.443 1.308 0 40 EDAB O=C1NCCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 51157012 NNEXFUSKNISPEM-SNVBAGLBSA-N 338.307 1.142 0 40 EDAB Cn1cc(CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)cn1 69618878 BDBRYOPRNASZTQ-AWEZNQCLSA-N 338.289 1.930 0 40 EDAB COc1cc(C2(C(=O)N3CCN(C[C@@H](C)O)CC3)CC2)ccc1C 70040907 XCVWYQKJCCRKQZ-OAHLLOKOSA-N 332.444 1.560 0 40 EDAB Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 74985429 XLFGRRNCGWYCOJ-UHFFFAOYSA-N 331.397 1.986 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(c4nccs4)CC3)nn2)n1 77908480 NNDHTPVPROAAJE-UHFFFAOYSA-N 327.417 1.754 0 40 EDAB CCn1cnnc1CCNS(=O)(=O)N1CCC[C@H]1c1ccco1 83843659 SJPDFIOQDVOFQF-LBPRGKRZSA-N 339.421 1.105 0 40 EDAB COc1ccc([C@H](O)CNC(=O)Cc2n[nH]c3ccccc23)cc1 83937969 PRZKIZTXLBRBMK-QGZVFWFLSA-N 325.368 1.964 0 40 EDAB C[C@H](CNC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccsc1 84774657 STDZWJDFPNOOGU-SNVBAGLBSA-N 342.442 1.924 0 40 EDAB Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)c2csnn2)C1 1615142850 CADYFOUUCGVABS-INIZCTEOSA-N 349.412 1.129 0 40 EDAB C=CCNC(=O)CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 105698255 LFEZJZPPTHNTMS-LJQANCHMSA-N 342.395 1.705 0 40 EDAB Cc1ncn(-c2ccc(NC(=O)c3cn(CCCN)nn3)cc2)c1C 1579884111 RHAKRLNWNCFOBO-UHFFFAOYSA-N 339.403 1.682 0 40 EDAB CN(C(=O)Cn1nc2n(C)c3ccccc3n2c1=O)C1CCCCC1 12117767 DFOHHWXIAQALDC-UHFFFAOYSA-N 341.415 1.779 0 40 EDAB COc1ccc(NC(=O)CN2CCC(O)(c3nccn3C)CC2)cc1 12221770 AOAXKKLEXIYSDE-UHFFFAOYSA-N 344.415 1.351 0 40 EDAB Cn1nccc1C(=O)NCc1nnc(-c2nccc3ccccc23)o1 19289210 XZXVHSUWNAQAFK-UHFFFAOYSA-N 334.339 1.948 0 40 EDAB Cc1nn(C)cc1CN1CCc2nc3sccc3c(=O)n2CC1 19583906 AUBCTHJNYNVKND-UHFFFAOYSA-N 329.429 1.558 0 40 EDAB O=C(c1cnc(N2CCOCC2)nc1)N1CC[C@H](c2ccccc2)C1 19657046 JINQNKHVJCXBPT-INIZCTEOSA-N 338.411 1.943 0 40 EDAB Cc1nc(C)c(C(=O)N2CCC[C@H](NC(=O)CN(C)C)CC2)s1 19749175 QGTLZXGSQSSBQE-ZDUSSCGKSA-N 338.477 1.432 0 40 EDAB O=C(c1ccnnc1)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643586121 ZGCCACOZZQOGSH-JFIYKMOQSA-N 325.368 1.236 0 40 EDAB Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 575605433 POSQGGJJZVTTSU-ZDUSSCGKSA-N 333.367 1.650 0 40 EDAB O=C(c1cccnc1)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@H]2C1 1888850364 GTKLHXZKDRFZMO-HOTGVXAUSA-N 335.411 1.957 0 40 EDAB O=C(NCCC(=O)N1CCCC1)c1cncc(Br)c1 14094313 RPHYPDTXSVVKBO-UHFFFAOYSA-N 326.194 1.586 0 40 EDAB CC(C)c1noc(CN2CCC(NS(=O)(=O)C3CC3)CC2)n1 1849209489 NZXLMLGXFKBBHY-UHFFFAOYSA-N 328.438 1.239 0 40 EDAB CC(C)CN1CCO[C@H](CNS(=O)(=O)N2CCCCCC2)C1 26958885 KNCBMPHRMAPDSQ-OAHLLOKOSA-N 333.498 1.054 0 40 EDAB COc1c(F)c(F)cc(C(=O)N2CC(Nc3ncccn3)C2)c1F 238831507 GAEPDLCTLOBMQN-UHFFFAOYSA-N 338.289 1.839 0 40 EDAB O=C(CN1CCOC1=O)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 238919177 SUXQAOIMIMCKQL-KBPBESRZSA-N 342.355 1.231 0 40 EDAB Cc1ncncc1C(=O)N1CCC(O)(COc2ccccc2)CC1 2037908894 FAZCWMPXLYFPDZ-UHFFFAOYSA-N 327.384 1.831 0 40 EDAB COC(=O)[C@@H](NC(=O)c1ccc(OC2CCOCC2)nc1)C(C)C 253402117 NYUHBNKKBJDEHA-HNNXBMFYSA-N 336.388 1.567 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 1565546750 JQTPAUQKZMVUQL-MKSNKDDYSA-N 341.411 1.320 0 40 EDAB O=C(NC1CCC1)C1=NOC2(CCN(C(=O)CC3(O)CCC3)CC2)C1 1565556354 RVXQXDYYZBGOCT-UHFFFAOYSA-N 349.431 1.098 0 40 EDAB O=C(N[C@H]1CCc2onc(CN3CCOCC3)c2C1)c1cccnc1 2055734908 XMYPDJXDTRVTEL-AWEZNQCLSA-N 342.399 1.189 0 40 EDAB CN(C(=O)C1CC=CC1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 585593666 WWXIUKBEJOPFPU-UHFFFAOYSA-N 338.415 1.615 0 40 EDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CC[C@@H](Oc2cnsn2)C1 618257185 RACTXNCCYDEGKX-SECBINFHSA-N 331.357 1.815 0 40 EDAB COc1ccccc1CC(=O)NC[C@@H]1CCCN1c1ncccn1 618256073 CPYMVIXMMXKKHV-HNNXBMFYSA-N 326.400 1.813 0 40 EDAB CN(C(=O)CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 40490006 RTAMQLCRBGFKAG-CYBMUJFWSA-N 329.393 1.630 0 40 EDAB CC(=O)N[C@H](C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1)C(C)C 40463375 PCCQTCYEWPFFDG-AWEZNQCLSA-N 339.392 1.615 0 40 EDAB Cc1nnc(NC(=O)NCc2ccnc(N3CCOCC3)c2)s1 40526514 NVLZWMDYZREWLQ-UHFFFAOYSA-N 334.405 1.400 0 40 EDAB CCc1ccc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)s1 40538914 MFIUKJLJDOAGBD-NSHDSACASA-N 330.475 1.598 0 40 EDAB Cc1csc(=O)n1CCCC(=O)Nc1ccc2c(c1)C(=O)NC2=O 32747891 ZVSQMRXEUJPPJF-UHFFFAOYSA-N 345.380 1.521 0 40 EDAB C[C@@H](CNC(=O)NCCc1ccc(Cl)s1)N1CCOCC1 46259432 GONXDPXPHDUNAD-NSHDSACASA-N 331.869 1.964 0 40 EDAB CCCn1c(SCC(=O)NCCc2ccc(F)cc2)n[nH]c1=O 29838606 JISZZMLGOZWRKK-UHFFFAOYSA-N 338.408 1.572 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc2)n1 9515626 BXESSQJQVUPTBH-QGZVFWFLSA-N 347.440 1.796 0 40 EDAB Cc1ccn(-c2ccc(N3CCC[C@@H](C(=O)NCC4CC4)C3)nn2)n1 77929662 MIZNYXQQLZDMGE-OAHLLOKOSA-N 340.431 1.713 0 40 EDAB O=C([C@@H]1COCCO1)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 78901727 KAGZXVFHRSZBMF-KOLCDFICSA-N 333.310 1.550 0 40 EDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCc2ccccc21 79019030 ADLHVOCMEVMHSS-GDBMZVCRSA-N 336.457 1.647 0 40 EDAB CCS(=O)(=O)N(C)CC(=O)N1CCc2cc(F)ccc2[C@@H]1C 79018395 JGEOZGXLHVXPPN-NSHDSACASA-N 328.409 1.553 0 40 EDAB C[C@@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)NC(N)=O 3521087 CIQCNPWGBRUDEK-RXMQYKEDSA-N 349.568 1.843 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)n2c(=O)oc3ccccc32)CC1 22082628 IWEYCUFXQOGLDD-GFCCVEGCSA-N 347.371 1.456 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)NCc1ccccc1 102593502 RZTGVAXRTUTHCG-ZJMHZOEWSA-N 336.391 1.356 0 40 EDAB Cc1nc2ncnn2c(O)c1CCC(=O)NC1Cc2ccccc2C1 12322528 OXVISQCARZFYHN-UHFFFAOYSA-N 337.383 1.355 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)C(=O)NC(C)C)CC2 8764664 YSPAMYDJOJSZQJ-LBPRGKRZSA-N 349.431 1.685 0 40 EDAB biogenic NC(=O)c1ccc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)cc1 61721418 FKRKWEUFWQRXNI-UHFFFAOYSA-N 340.383 1.250 0 40 EDAB COCCNC(=O)COCC(=O)Nc1cccc(Cl)c1Cl 9196130 CJBUTDFZWDFWPS-UHFFFAOYSA-N 335.187 1.711 0 40 EDAB CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc(F)cc1 24258814 WPRZTYPTEXGJMT-LBPRGKRZSA-N 334.438 1.825 0 40 EDAB CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 55010236 PEWMTXKPXGWQTL-ZDUSSCGKSA-N 331.372 1.603 0 40 EDAB COc1ccc([C@H](CNC(=O)Nc2cn[nH]c2)N2CCOCC2)cc1 43139246 RQDCEHBJOBANOA-INIZCTEOSA-N 345.403 1.613 0 40 EDAB CC(C)NC(=O)COC(=O)c1cccc(I)c1 3293967 HKJXAUGHBPEGHD-UHFFFAOYSA-N 347.152 1.973 0 40 EDAB O[C@H](COc1ccc(F)cc1)CN1CCN(c2ncccn2)CC1 24951939 DJZSECHCFUQSAT-HNNXBMFYSA-N 332.379 1.178 0 40 EDAB C[C@H](Sc1nnc(-c2ccc[nH]2)o1)c1nc(N)nc(N(C)C)n1 25062927 TUJPCMIFEHXUMJ-ZETCQYMHSA-N 332.393 1.751 0 40 EDAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCC[C@H](Cn2cncn2)C1 106782680 QTVLEBWXYUMBDU-WCVJEAGWSA-N 335.452 1.014 0 40 EDAB CCOc1ccc(Cl)c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)n1 55982184 VFSWIFITAHBEAT-ZDUSSCGKSA-N 332.809 1.441 0 40 EDAB C[C@H]1CN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 25480177 XTRCYIVYYGOCHL-GJZGRUSLSA-N 333.432 1.571 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)COCC2CC2)c1 48287560 RLQGVSPPKOPAFE-UHFFFAOYSA-N 340.445 1.125 0 40 EDAB CCNC(=O)CNC(=O)c1c(Br)c2ccccc2n1C 48275256 UUOJCUQYJHWHTH-UHFFFAOYSA-N 338.205 1.807 0 40 EDAB CCOC1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 57991845 XMNBBCYSNAGKEK-UHFFFAOYSA-N 330.388 1.209 0 40 EDAB O=c1nc(NCCCN2CCOCC2)[nH]nc1-c1ccc(F)cc1 27300807 KHWVCKMVEUSJAQ-UHFFFAOYSA-N 333.367 1.105 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)CN2CCSC2=O)CC1 44870116 ZOLXOSTYJSDMMB-UHFFFAOYSA-N 349.456 1.903 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCNC(=O)C1 44893518 FCRLUJAARLGLFC-UHFFFAOYSA-N 341.415 1.250 0 40 EDAB CCSCCC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 58209624 PMXSSGGSUYWNQL-UHFFFAOYSA-N 349.500 1.985 0 40 EDAB Cc1cccc(NC(=O)Cn2c(-c3ncccn3)noc2=O)c1C 58265563 CVVANVVNFIVGMH-UHFFFAOYSA-N 325.328 1.549 0 40 EDAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C)C=C[C@]3(C)O2)cc1 100179381 LXXKBDFANWWGAO-KNCCTNLNSA-N 327.336 1.835 0 40 EDAB C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)N1CCOCC1 58280561 ZLFONJCHORYLSH-GFCCVEGCSA-N 329.356 1.319 0 40 EDAB O=C1CN(C(=O)c2ccc(CNC[C@H]3C[C@H]4C=C[C@H]3C4)cc2)CCN1 102685730 GNWKVZGHVMPVER-RYQLBKOJSA-N 339.439 1.560 0 40 EDAB O=C(Cc1csc(N2CCCC2=O)n1)N[C@H]1CCN2CCCC[C@H]12 44942122 KPDQLQATCHBASV-UONOGXRCSA-N 348.472 1.555 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)NCC(=O)Nc1ccc(F)cc1 58341302 NPSIXTMQBBZPMI-AWEZNQCLSA-N 345.378 1.875 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3cc(Cl)ccc3C)N2N1 10152910 IBQGPCYVVACCFC-GFCCVEGCSA-N 347.806 1.903 0 40 EDAB Cc1n[nH]c(SCC(=O)N(C)C[C@@H]2COc3ccccc3O2)n1 12885188 YQPPDYVJPIYOAH-LLVKDONJSA-N 334.401 1.504 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 11566121 AFVXGSBQBFGFOC-UHFFFAOYSA-N 337.228 1.846 0 40 EDAB COC(=O)[C@@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C 11501796 QYWGOWZIZQGYIB-SKDRFNHKSA-N 335.385 1.981 0 40 EDAB NS(=O)(=O)[C@@H]1CCCN(c2ncnc3sc4c(c23)CCC4)C1 36833470 SCXCYKIMFQYNKZ-SECBINFHSA-N 338.458 1.437 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(F)cc1 3430029 MJLWFWWEYJPAOB-DYZYQPBXSA-N 333.363 1.723 0 40 EDAB CN1C(=O)N(CC(=O)NCc2ccccn2)C(=O)C12CCCCC2 29516937 GGIYKFHCLRQIKE-UHFFFAOYSA-N 330.388 1.295 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCc2ccccc2C1 3430279 ORIUZVYWMSFGCP-UHFFFAOYSA-N 335.363 1.275 0 40 EDAB O=C1c2ccccc2C(=O)N1CCn1ncc(Cl)c(Cl)c1=O 3564817 LMMOHJLSMZMHBE-UHFFFAOYSA-N 338.150 1.846 0 40 EDAB NC(=O)C1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 13355691 RFJCEZDVLUQYQG-UHFFFAOYSA-N 333.779 1.258 0 40 EDAB Nn1c(S[C@@H]2CCN(c3ccccc3)C2=O)nnc1C(F)(F)F 68043381 FDZHUVRJJUTKOS-SECBINFHSA-N 343.334 1.908 0 40 EDAB CNC(=O)CN1CCC(NC(=O)N(C)[C@H](C)c2cccs2)CC1 65424015 SWWKJJUXNXKROI-GFCCVEGCSA-N 338.477 1.661 0 40 EDAB CC1(C)C(=O)NCCN1CC(=O)Nc1ccccc1OC(F)F 65501128 DBJKJYXLOUEXOA-UHFFFAOYSA-N 327.331 1.437 0 40 EDAB O=S(=O)(Nc1nc2ncccn2n1)c1ccc2c(c1)CCCC2 65588184 PQGGHDIKGAEHKN-UHFFFAOYSA-N 329.385 1.804 0 40 EDAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H]1CCS(=O)(=O)C1 65537915 XTXPDIDIRXWWIX-TZMCWYRMSA-N 344.477 1.012 0 40 EDAB Cc1cnc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)s1 14124912 CZCZZLJSPWJULG-UHFFFAOYSA-N 330.369 1.484 0 40 EDAB CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cnc2onc(C)c2c1 65622908 BRKFEXFGKHYZRW-TVQRCGJNSA-N 348.428 1.961 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CC=CCC1 65626138 QMKDAOUVUSWTIP-MRXNPFEDSA-N 342.443 1.593 0 40 EDAB CNC(=O)C1CCN(C(=O)NC[C@H](C)Cn2nc(C)cc2C)CC1 65605721 UJHGOWWYCSSDEZ-LBPRGKRZSA-N 335.452 1.304 0 40 EDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 4505380 LIDKHTJGWBFNOT-ZDUSSCGKSA-N 331.459 1.501 0 40 EDAB CC(=O)c1ccc2c(c1)N(CC(=O)N1CCC(C)CC1)C(=O)CO2 4527129 WPRYEWLTFBGDPS-UHFFFAOYSA-N 330.384 1.873 0 40 EDAB CC(=O)N1CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 14787143 QNKGSZMQGGHTPN-UHFFFAOYSA-N 344.440 1.913 0 40 EDAB CC(C)(CNC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1)C(N)=O 67316388 XRELOLCNQDHOAX-UHFFFAOYSA-N 349.359 1.316 0 40 EDAB Cn1nc(CC(=O)NCCc2ccccc2F)c2ccccc2c1=O 7272967 VUGZMKZJDHFCDM-UHFFFAOYSA-N 339.370 1.974 0 40 EDAB O=C(NCc1ccco1)c1cc(S(=O)(=O)NCc2ccco2)c[nH]1 7987244 XHQORPMFZZSPQX-UHFFFAOYSA-N 349.368 1.609 0 40 EDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccco1 7987188 BGRLZJKMVUPDGH-NSHDSACASA-N 347.396 1.365 0 40 EDAB CC(C)(CNC(=O)N1CCC[C@@H]1c1cccs1)NS(C)(=O)=O 69150712 SVKBLJRUSIBBHZ-LLVKDONJSA-N 345.490 1.922 0 40 EDAB O=C(CSc1nnc(C2CC2)o1)NC[C@@H]1COc2ccccc2O1 8245448 HJPLMUHPDXONHM-LLVKDONJSA-N 347.396 1.995 0 40 EDAB c1csc(-c2cc(CN3CCO[C@H](Cn4cncn4)C3)no2)c1 70011478 MIQPLPWSEYMVPQ-ZDUSSCGKSA-N 331.401 1.896 0 40 EDAB Cn1cc(S(=O)(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)cn1 69352218 CYTTYJQKTGFZEB-LLVKDONJSA-N 342.371 1.256 0 40 EDAB COC(=O)c1ccc(NC(=O)CN2CCCC[C@H]2C2OCCO2)cc1 69304538 INSGFXFEDWPNAD-HNNXBMFYSA-N 348.399 1.639 0 40 EDAB CCCCCC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 69371782 UJTJWZPDUXUUGL-UHFFFAOYSA-N 342.447 1.887 0 40 EDAB CC(=O)NCc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)s1 8428334 MZRDHXBFHKWAFF-UHFFFAOYSA-N 341.396 1.921 0 40 EDAB COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1n[nH]c(=O)[nH]1 91617673 SZKRFNZLGYLPTR-NSHDSACASA-N 345.186 1.751 0 40 EDAB NC(=O)c1ccsc1NC(=O)Cn1cnc2cc(F)ccc2c1=O 9477858 ZAMVJEFTQUDUGG-UHFFFAOYSA-N 346.343 1.335 0 40 EDAB C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)n1ccnc1 69619342 DGGDRAPKBNMKLY-RDJZCZTQSA-N 340.427 1.794 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@@H](n2ccnc2)C1 69620165 HLXQQFYWMNOMGE-CQSZACIVSA-N 337.383 1.457 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)Cn2cncn2)cc1C(F)(F)F 69698657 NACHCKZHYIMVSX-JTQLQIEISA-N 348.350 1.972 0 40 EDAB CC[C@H]1CCCCN1C(=O)CN(C)CC1CCN(C[C@@H](C)O)CC1 69818223 LOJFWGYZHALMSJ-AEFFLSMTSA-N 339.524 1.802 0 40 EDAB CCc1nc(CN2CCC[C@H](NCC(=O)Nc3cc(C)no3)C2)no1 69879753 HERQKJDXUMRDIX-LBPRGKRZSA-N 348.407 1.121 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H](C)c1ccc3c(c1)OCCO3)C2 69843237 SRCHTSBJUVVJQW-LBPRGKRZSA-N 342.399 1.758 0 40 EDAB CCc1nc2n(n1)C[C@@H](N[C@H](C)c1nc3ccccc3c(=O)[nH]1)CC2 69902307 CWTMTBRMHCKAGN-NEPJUHHUSA-N 338.415 1.743 0 40 EDAB CN(CC(=O)Nc1ccc(N2CCCC2)c(Cl)c1)S(C)(=O)=O 71886714 PFTHBNFJSLKMIE-UHFFFAOYSA-N 345.852 1.770 0 40 EDAB COCc1nc(C(=O)N2CCN(c3nccc(OC)n3)CC2)cs1 71831005 GSIFAXPLMIZCDO-UHFFFAOYSA-N 349.416 1.051 0 40 EDAB NC(=O)CN(C(=O)C[C@@H]1Sc2ccccc2NC1=O)C1CCCC1 71821097 LPDNMBFAOQJNIF-AWEZNQCLSA-N 347.440 1.746 0 40 EDAB COc1ccc(/C=C/C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c(OC)c1 71823425 BZMFBBDATZTZHD-WGDOYQSBSA-N 332.400 1.829 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc(F)cc(F)c2)CC1 71881909 XSBMQNKRRBKCNY-OAHLLOKOSA-N 328.359 1.120 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)[C@@H]1Oc3ccccc3O[C@H]1C)C2 71864887 ULJSMXZZAIJUAA-BLLLJJGKSA-N 342.399 1.972 0 40 EDAB Cc1cccc(N2CCN(c3ncnc4c3cnn4CCO)CC2)c1 97199984 UXAPXMNVPDKPDJ-UHFFFAOYSA-N 338.415 1.454 0 40 EDAB Cn1nccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 97109048 WFWUGSZYJRCPCV-BPUTZDHNSA-N 340.431 1.664 0 40 EDAB C[C@H](O)CN(C)C(=O)c1cc(I)ccc1O 97114600 AFWWRGQDYWOXCP-ZETCQYMHSA-N 335.141 1.450 0 40 EDAB CCCNC(=O)COC(=O)[C@H](c1ccccc1)N1CCSCC1 71921316 AJTOQACQFAICLQ-INIZCTEOSA-N 336.457 1.846 0 40 EDAB C[C@H](C(=O)NCc1ccco1)N(c1ccc(F)cc1)S(C)(=O)=O 9699536 QVXXWNVLWCSFAU-LLVKDONJSA-N 340.376 1.890 0 40 EDAB COc1ccc2cc(C(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)[nH]c2c1 72269610 UCCQTPYUHKMKLQ-QZTJIDSGSA-N 343.427 1.848 0 40 EDAB C[C@H](C(=O)NCCNC(=O)c1ccco1)N(C)Cc1ccccc1 72288308 BHCRNJFRMHSUDO-CQSZACIVSA-N 329.400 1.646 0 40 EDAB COc1ccccc1CCNC(=O)CN1CCC(c2cn[nH]c2)CC1 97203420 URSBVGFQYAAEOM-UHFFFAOYSA-N 342.443 1.957 0 40 EDAB Cc1sc2ncn(Cc3nc(-c4cnccn4)no3)c(=O)c2c1C 84511091 QZZSKJKTGQXMDK-UHFFFAOYSA-N 340.368 1.963 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(CCCOc3ccccc3)C2)C1=O 84597341 MZXJDZHTJYLFDN-GOSISDBHSA-N 331.416 1.860 0 40 EDAB Cc1nccn1CCSc1nnc(N2CCOCC2)n1C1CC1 95453250 QTXFBRHWQSTGLN-UHFFFAOYSA-N 334.449 1.747 0 40 EDAB CCC(CC)c1cc(C(=O)N(C)C[C@H](O)CN2CCOCC2)on1 95409246 OVJLCHZBKWBCRW-AWEZNQCLSA-N 339.436 1.343 0 40 EDAB CC(C)Cn1cc(C(F)F)c(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)n1 95447325 VPTFRUFPWCQOCE-AAEUAGOBSA-N 344.406 1.926 0 40 EDAB COCC(=O)N[C@H](C(=O)NC[C@H]1CCc2ccccc2C1)C(C)C 95400443 FEFOWHRXUJVLKE-KSSFIOAISA-N 332.444 1.695 0 40 EDAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NC(C)(C)CO 95475089 DXSCNPUNQJCABW-GFCCVEGCSA-N 326.466 1.514 0 40 EDAB C[C@@H]1OCC[C@H]1NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 89592526 HTQCLJCNDKTLPG-XJKSGUPXSA-N 337.851 1.756 0 40 EDAB CCC(O)(CC)CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 75148311 HESZZFLRUYLQAI-UHFFFAOYSA-N 335.372 1.964 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(C)n2C)c1 89643153 AESFARIBTSDWAD-UHFFFAOYSA-N 335.429 1.480 0 40 EDAB Cn1cc(S(=O)(=O)NC(=O)CCn2cccn2)c2ccccc21 89749918 PAVXBMYSIPGRQJ-UHFFFAOYSA-N 332.385 1.270 0 40 EDAB O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1ccncc1Cl 89878929 JWAGHHPZKYZKHY-LLVKDONJSA-N 330.775 1.775 0 40 EDAB O=C1N[C@H](C(=O)O)CS[C@H]1Cc1ccc(OC(F)(F)F)cc1 62712266 XXSLJOJLGNERDO-UWVGGRQHSA-N 335.303 1.813 0 40 EDAB O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCC(n2cccn2)CC1 89883806 LBPYWFGYIHWBFG-OAHLLOKOSA-N 340.431 1.904 0 40 EDAB O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1csc(N2CCCCC2)n1 1548492326 CJSPTHXKKYGTGF-LBPRGKRZSA-N 348.472 1.874 0 40 EDAB Cn1ccnc1C1(O)CCN(c2nc(C3CCOCC3)ns2)CC1 1548520327 HUMHMZCILKUNBT-UHFFFAOYSA-N 349.460 1.654 0 40 EDAB O=C(c1ccncc1)N1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 67897429 IOTICWKEVBGHIP-SJORKVTESA-N 337.379 1.334 0 40 EDAB biogenic,in-vitro Cc1nnc([C@]23COC[C@@H]2CN(Cc2nn(C)c(C)c2Cl)C3)o1 1551211284 CXUVFALZDAAFCQ-XHDPSFHLSA-N 337.811 1.473 0 40 EDAB O=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)NC1CCCCC1 32647377 BWHYXVGMDNQQTM-UHFFFAOYSA-N 344.371 1.012 0 40 EDAB CCCc1nonc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 78105748 JRXRLRPZFYOMCL-HNNXBMFYSA-N 330.388 1.862 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 78611457 QEUCMVUAVNIVEI-CHWSQXEVSA-N 328.409 1.308 0 40 EDAB Cc1nc(CN2CCN(C(=O)Cc3cccc(Cl)c3)CC2)no1 79001551 FPWXNQXSRNDOEC-UHFFFAOYSA-N 334.807 1.918 0 40 EDAB NC(=O)C1(N2CCCCC2)CCN(C(=O)CCc2ccccc2)CC1 71768174 UTCLRSXSLPKMMI-UHFFFAOYSA-N 343.471 1.952 0 40 EDAB O=C1N[C@]2(CCCN(C(=O)c3cscn3)C2)Oc2ccccc21 72347572 ONPHHXTUAKHYNP-MRXNPFEDSA-N 329.381 1.898 0 40 EDAB COc1cccc(C[C@H](C)NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 79036385 INFREFJVDBIQKN-LESCRADOSA-N 347.459 1.789 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)NCC3(c4ccccc4)CC3)cc2[nH]1 32885540 YQVHFVYILJINNR-UHFFFAOYSA-N 343.408 1.866 0 40 EDAB O=C([C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)N1Cc2cccc(F)c2C1 560502310 NKPJTMOPGIWJQG-CVEARBPZSA-N 348.374 1.074 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@H](C)N1CCN(c2nccs2)CC1 32888358 HELMIDYPQAMWES-LBPRGKRZSA-N 339.465 1.135 0 40 EDAB O=C(Nc1cccnc1)C(=O)N1CCC[C@@H](NCc2ccccc2)C1 195574305 WBKCFYOHPAOFLE-QGZVFWFLSA-N 338.411 1.801 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)[C@@]1(C)Oc2ccccc2NC1=O 40776571 QMLWBLKCRIQQRE-QGZVFWFLSA-N 328.372 1.443 0 40 EDAB Cc1c(NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)nnn1C 573663797 YUTBOGOYRVBSSQ-LBPRGKRZSA-N 333.779 1.769 0 40 EDAB Cn1nc2c(c1CNS(=O)(=O)Cc1cc(F)cc(F)c1)CCC2 225819150 RNXFOWSNVFXRML-UHFFFAOYSA-N 341.383 1.807 0 40 EDAB CC(C)[C@H](NC1CCOCC1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 96436389 FBXRACCNJCCJQQ-AEFFLSMTSA-N 337.508 1.913 0 40 EDAB C[C@@H](CO)NC(=O)c1ncc(Br)cc1Br 97376500 SHFDNMPWYAEWPB-YFKPBYRVSA-N 337.999 1.717 0 40 EDAB COC1(CN2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)CCOCC1 583617459 SWWKJENSVHGPAS-KRWDZBQOSA-N 338.452 1.338 0 40 EDAB C[C@@H](CNC(=O)C(=O)Nc1ccccc1-n1cccn1)N(C)C1CC1 96410756 AAUFNGXVVGLKDE-ZDUSSCGKSA-N 341.415 1.410 0 40 EDAB CCN(CC)C(=O)[C@@H]1CCC[C@@H](NC(=O)C2CC2)CN(C)C(=O)C1 96113257 GQYCDQUNCRYIME-HUUCEWRRSA-N 337.464 1.398 0 40 EDAB biogenic,in-vitro O=C(c1cscn1)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1 96063767 GFOOOGXBSDJOIR-GXTWGEPZSA-N 330.413 1.516 0 40 EDAB CC(C)NC(=O)[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1 96224910 NOOPGQQIXAYAOQ-INIZCTEOSA-N 334.464 1.706 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(OC(F)F)c(F)c2)C1 93530801 BOSOEWASVKWCJJ-SNVBAGLBSA-N 338.351 1.551 0 40 EDAB Cc1c(Br)cccc1S(=O)(=O)NCC[S@](C)=O 96446624 UWTAOHJMRUDQAB-MRXNPFEDSA-N 340.264 1.414 0 40 EDAB CC(C)c1nncn1CCNC(=O)c1cnc(-c2ncccn2)s1 96444416 YFDREDUZTPYRSA-UHFFFAOYSA-N 343.416 1.745 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@H]2C1 96043526 WDOFXNITXUFRMK-DJIMGWMZSA-N 349.431 1.682 0 40 EDAB O=C(C[C@@H]1CO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]12)NC1CC1 96215933 GUSHJQAJAIYBFH-DDUZABMNSA-N 344.411 1.531 0 40 EDAB CCN(CC)Cc1cncc2c1CCN(C(=O)c1ccnnc1)C2 96067400 UUPJLAKMVKBOKF-UHFFFAOYSA-N 325.416 1.912 0 40 EDAB COCCNC(=O)[C@H]1CCC2(CCN(Cc3cccc(C)n3)CC2)O1 96111124 ZWSJOEVELYYVIV-QGZVFWFLSA-N 347.459 1.666 0 40 EDAB Cc1cc(CN2CC3(CC[C@H](CNC(=O)c4ccno4)CO3)C2)no1 247924729 OYSKTDCGAAGSOJ-CYBMUJFWSA-N 346.387 1.382 0 40 EDAB Cc1nc(C(=O)N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)cs1 248070357 YHBFTVPVJAMXPA-LBPRGKRZSA-N 346.412 1.694 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CN(C)CCO1 248906148 UVPVOKKYKKTDAE-KBAYOESNSA-N 346.475 1.137 0 40 EDAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257204907 AWUZZHFAPRQAIL-HZPDHXFCSA-N 338.398 1.922 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H]1c1ccnc(N(C)C)c1 257227348 FOWMBOYFRMFSGB-CQSZACIVSA-N 349.460 1.715 0 40 EDAB O=C(NCCn1ccc(-c2cnccn2)n1)c1cnc2ccccc2n1 253472834 PZXJMRUNOQCDFZ-UHFFFAOYSA-N 345.366 1.713 0 40 EDAB CC(C)c1ccc(OCC(=O)N2CC(N3C(=O)COC3=O)C2)cc1 252503525 VEOILQNYUQKLKF-UHFFFAOYSA-N 332.356 1.378 0 40 EDAB Cc1n[nH]c(C)c1-c1cnc(C[C@H]2CCCN(S(C)(=O)=O)C2)cn1 257308186 TVTDNYRBVGUUQV-CYBMUJFWSA-N 349.460 1.698 0 40 EDAB Cc1ncccc1C(=O)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257211077 BXKUNSXFUGXLON-CYBMUJFWSA-N 328.372 1.217 0 40 EDAB Cn1nc(C(=O)N2CCC[C@@H]2CS(C)(=O)=O)cc1C(F)(F)F 1615614713 JNSLFVPGSTURDX-MRVPVSSYSA-N 339.339 1.088 0 40 EDAB NS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 1615604919 GEKZYKJVNPDOIQ-UHFFFAOYSA-N 345.218 1.396 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 575406375 XIINCGBAMMVSPC-GFCCVEGCSA-N 344.408 1.573 0 40 EDAB COC[C@@H](CC(C)(C)C)NC(=O)N1CCN(c2nncn2C)CC1 656140125 JJYRQQHJONCEHA-CYBMUJFWSA-N 338.456 1.098 0 40 EDAB CCc1ccc(S(=O)(=O)N(CC)[C@]2(C)CCS(=O)(=O)C2)cc1 575421387 PYWGZJVFEWONRU-OAHLLOKOSA-N 345.486 1.837 0 40 EDAB O=C(c1cccc(O)n1)N1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 585277193 NBYFDYLNFRLKQX-CJNGLKHVSA-N 330.359 1.992 0 40 EDAB COC[C@H]1CCn2cncc2CN1C(=O)c1cccc2c1OCCO2 585096799 CQDBVURKPSUFMM-CYBMUJFWSA-N 343.383 1.715 0 40 EDAB Cc1noc(CCC(=O)N2CC[C@@](O)(COc3ccccc3)C2)n1 585275834 HMDAYGHFFXKBOL-KRWDZBQOSA-N 331.372 1.353 0 40 EDAB CC(C)CCN1C[C@@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@H]2C1 585106053 HYKZELXHDXOWSL-HOTGVXAUSA-N 343.475 1.540 0 40 EDAB CNC(=O)[C@]1(COC)CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 585110746 QNZQUODENVGJSC-FRQCXROJSA-N 346.427 1.552 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCN(Cc2ccncc2)CC1 57291040 FXIGUHOXLTUKNO-UHFFFAOYSA-N 328.416 1.963 0 40 EDAB NC(=O)c1ccc(OCC(=O)N2CCC(n3ccnc3)CC2)cc1 58341358 JVQUVRRQNDOUKF-UHFFFAOYSA-N 328.372 1.225 0 40 EDAB Cc1cc(=NC(=O)N=c2ncn(C(C)(C)C)[nH]2)[nH]n1[C@@H](C)C1CC1 547847993 ITQDPJPJVAIJHJ-NSHDSACASA-N 331.424 1.997 0 40 EDAB Cc1cc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)nc2ccccc12 1615038867 UIPWJVABZAMYRR-LBPRGKRZSA-N 333.413 1.294 0 40 EDAB O=S1(=O)CC(CS(=O)(=O)N2CCC[C@@H](c3ccccc3)C2)C1 1616039184 YGBKHWWYBWJANY-OAHLLOKOSA-N 343.470 1.240 0 40 EDAB CCn1cc(Br)c(C(=O)N(C)Cc2cn(C)nc2C)n1 2777779 QLYGDMFKVHWYRV-UHFFFAOYSA-N 340.225 1.980 0 40 EDAB Cc1cc(C)n2nc(C(=O)O[C@@H](C)C(=O)Nc3cc(C)on3)nc2n1 12984019 IRXQMIZGYKDVLY-JTQLQIEISA-N 344.331 1.222 0 40 EDAB CC(=O)c1ccc(NC(=O)C[C@H]2N[C@@H]3CCCC[C@@H]3NC2=O)cc1 13540064 IDBSMNWITVOZEX-OWCLPIDISA-N 329.400 1.617 0 40 EDAB O=C(C[C@@H]1SC[C@H](C(=O)O)NC1=O)Nc1cccc(Cl)c1 13636865 ZSMVOFTXFXRUEK-ZJUUUORDSA-N 328.777 1.353 0 40 EDAB O=C(C[C@H]1SC[C@@H](C(=O)O)NC1=O)Nc1cccc(Cl)c1 13636869 ZSMVOFTXFXRUEK-VHSXEESVSA-N 328.777 1.353 0 40 EDAB O=C(/C=C/S(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCCNC1=O 14000490 BYVATSSQPFYYKU-CRALRDPISA-N 342.804 1.022 0 40 EDAB CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)CC1 17355694 IXTDXWPHPTWFLB-LBPRGKRZSA-N 328.409 1.751 0 40 EDAB Cn1cc2c(n1)[C@H]1CN(C(=O)c3cc(C(F)(F)F)nn3C)C[C@H]1C2 19290812 JLGXYOJHYPPIMW-SCZZXKLOSA-N 339.321 1.584 0 40 EDAB Cc1c([C@@H]2CCCN(C(=O)c3cccnc3)C2)n2c(nc1=O)CCC2 19554855 OFLMKURKAKXFTI-OAHLLOKOSA-N 338.411 1.913 0 40 EDAB C[C@H]1C(=O)NCCCN1C(=O)c1cc(N(C)C)c2ccccc2n1 581460373 MJBIDZIDXJWSPJ-LBPRGKRZSA-N 326.400 1.651 0 40 EDAB O=C(CN1CSCC1=O)NC[C@@H](c1ccco1)N1CCCCC1 20935850 UVEQAWVTRDZNND-ZDUSSCGKSA-N 337.445 1.456 0 40 EDAB FC(F)(F)c1ccnc(OC2CCN(CCn3nccn3)CC2)n1 1776009905 YGXSINAYHOQNAH-UHFFFAOYSA-N 342.325 1.630 0 40 EDAB Cc1cc(OC2CN(S(=O)(=O)Cc3ccccc3)C2)cc(=O)n1C 238826970 DZHJQETWPNABET-UHFFFAOYSA-N 348.424 1.287 0 40 EDAB CS(=O)(=O)c1c[nH]nc1[C@H]1CCCN1C(=O)c1cncs1 2037655563 NJYZFKFZNROXBC-MRVPVSSYSA-N 326.403 1.247 0 40 EDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cccc(F)c1F 2037971301 ZLCBGANZPJSOOE-OGWHTMIXSA-N 349.377 1.474 0 40 EDAB CC(C)[C@H](Cn1nccn1)NC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 253471535 DEXRQGGPNIRPIW-JSGCOSHPSA-N 346.387 1.615 0 40 EDAB COc1nc(OC)nc(N2CCC(Oc3nc(C)cnc3C)CC2)n1 2087132289 RUJYHCUDGVADBS-UHFFFAOYSA-N 346.391 1.343 0 40 EDAB Cn1c(=O)c2c(SCC(=O)c3ccccc3)ccnc2n(C)c1=O 4942233 NHHDCBDLKSJKLA-UHFFFAOYSA-N 341.392 1.607 0 40 EDAB CCN1C[C@]2(COCCN(C(=O)[C@]3(C)CC=CCC3)C2)OCC1=O 2055785613 RSLGGKOBYAJHFI-MSOLQXFVSA-N 336.432 1.209 0 40 EDAB CS(=O)(=O)NCc1noc2c1C[C@@H](NCc1ccccc1)CC2 2055729729 CIHQMXTUBWRNMP-ZDUSSCGKSA-N 335.429 1.371 0 40 EDAB Cc1ccccc1NC(=O)C[C@@H](NCCCN1CCOCC1)C(=O)O 23224639 PMWUFVJAIBLCOE-MRXNPFEDSA-N 349.431 1.089 0 40 EDAB O=C(NCc1cn(-c2cccnc2)nn1)c1cccc(-n2cccn2)c1 575618224 KIIARSAWNMTGPK-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB CCOc1ccc(CNC(=O)[C@@H](C)n2nc3c(cc2=O)CCC3)cn1 575619756 LCVLBAXAPIHFOD-GFCCVEGCSA-N 342.399 1.403 0 40 EDAB Cc1nnc(CN2CCN(c3cccc(-n4ccnc4C)n3)CC2)o1 2298064991 WEIZFQLUVMMDGA-UHFFFAOYSA-N 339.403 1.589 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCC(NS(C)(=O)=O)CC1 10415130 PBRJDBGUFCQAOA-UHFFFAOYSA-N 346.836 1.502 0 40 EDAB CS(=O)(=O)Nc1nc(CC(=O)NCc2ccc(F)cc2)cs1 40487910 MYDVNWKNDGXQJG-UHFFFAOYSA-N 343.405 1.513 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N[C@H](C)Cn3cccn3)CC2=O)cc1 31400798 NXWUKNXQIOZOSI-ZIAGYGMSSA-N 342.399 1.450 0 40 EDAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1 40541487 SUCXEDUVIAIIHZ-GFCCVEGCSA-N 327.384 1.833 0 40 EDAB CC(C)c1noc(CCCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 40529983 IURLVNYJIQJTLQ-LLVKDONJSA-N 329.422 1.161 0 40 EDAB Cc1noc(-c2ccc(C(=O)NC[C@@H](C)N3CCOCC3)cc2)n1 40509824 MJAFFCCWGHBTNL-GFCCVEGCSA-N 330.388 1.496 0 40 EDAB O=c1[nH]c(=O)n(Cc2ccccc2)c2c1CN(Cc1ccccc1)CN2 20567732 UEINQUVGJDYMSJ-UHFFFAOYSA-N 348.406 1.970 0 40 EDAB CSCC[C@H](C)N(C)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101192350 YODJCWXMRNVOQK-YLXLXVFQSA-N 336.457 1.394 0 40 EDAB Cc1ccccc1CN(C)C(=O)C1=NN(c2ccccc2)C(=O)CN1 32680477 WFWUXODBZQRLQL-UHFFFAOYSA-N 336.395 1.903 0 40 EDAB C[C@H](NCC(=O)/N=c1\cc[nH]n1[C@H](C)C1CC1)[C@@H](C)n1cccn1 102369808 OTQRCYOWHPZTEM-HQPUIKHQSA-N 330.436 1.650 0 40 EDAB O=C(Cn1cnnn1)NC1CCN(Cc2ccc(Cl)cc2)CC1 52554572 NRQSKSXIUURBQM-UHFFFAOYSA-N 334.811 1.107 0 40 EDAB C[C@@H]1Oc2ccc(-c3csc(NS(C)(=O)=O)n3)cc2NC1=O 11857408 CUTFDAACPURYMD-ZETCQYMHSA-N 339.398 1.901 0 40 EDAB CC(C)C[C@@H](C(=O)N1CCC(NC(N)=O)CC1)N1CCCCC1=O 87407271 YTINMLZFBUDPDU-AWEZNQCLSA-N 338.452 1.073 0 40 EDAB Cc1ccn2ncc(C(=O)OC[C@@H]3CN(CC(C)C)CCO3)c2n1 69948157 BKOMPKRJCFNGSG-AWEZNQCLSA-N 332.404 1.551 0 40 EDAB Cc1cccc2c1OCC[C@H]2NC[C@H]1CNc2c(C(N)=O)cnn2C1 69969940 UTSHSSZJEIOLGZ-SWLSCSKDSA-N 341.415 1.446 0 40 EDAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2nc(C3CC3)no2)C1 84259239 JWRSUIAWCIOPOV-CQSZACIVSA-N 345.403 1.866 0 40 EDAB COc1cccc(CCNC(=O)CN2CCC[C@H]2c2noc(C)n2)c1 84280850 OKZWGDXOKXYHMN-INIZCTEOSA-N 344.415 1.882 0 40 EDAB COc1ccc(-c2csc(CNC(=O)c3n[nH]c(=O)[nH]3)c2)cc1 76094276 MBMHMLJXQWTIAH-UHFFFAOYSA-N 330.369 1.765 0 40 EDAB O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 32912369 DXURWXYRBFAVQZ-KWQFWETISA-N 330.203 1.599 0 40 EDAB CCc1nc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cs1 77614330 NNXULSBECNDZDQ-CJNGLKHVSA-N 344.440 1.936 0 40 EDAB CCN(C)c1cccc(NC(=O)C(=O)NC[C@H](C(C)C)N(C)C)c1 77729006 VECOILSUECKDPQ-MRXNPFEDSA-N 334.464 1.784 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)COCC(F)(F)F)CCO2)n1 78889487 SWVINSSXZDPYPJ-VIFPVBQESA-N 336.314 1.407 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)[C@H]1CC(=O)N(CC(F)(F)F)C1 33117999 BFQWPZVTGCYNDB-NWDGAFQWSA-N 342.317 1.517 0 40 EDAB COc1ccc(/C=C/C(=O)NC(=S)N2CCC[C@H](C(N)=O)C2)cc1 527085 BGPDMKACDNLBPE-PPGNKHEKSA-N 347.440 1.307 0 40 EDAB CCc1ccc(-n2c(C)nnc2SCC(=O)NCCOC)cc1 6943855 TYKOGCRKVQSSTP-UHFFFAOYSA-N 334.445 1.993 0 40 EDAB CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)NC(N)=O 6963770 LBVHTTNMVZDDDO-UITAMQMPSA-N 338.161 1.950 0 40 EDAB COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CCO1 103106487 OGHAFPHMFPTEMW-JKSUJKDBSA-N 332.400 1.051 0 40 EDAB CN(Cc1ccco1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 47071051 DQTXBENMCZNFAT-MRXNPFEDSA-N 339.461 1.629 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)NN=C2C[C@@]1(C)O 103404999 ZBLYMLQDNQKVRH-ZXFNITATSA-N 346.383 1.215 0 40 EDAB COCCOc1ncccc1C(=O)N[C@H]1CCCc2c1cnn2C 53462743 TYIXNIXCVOZCSO-AWEZNQCLSA-N 330.388 1.648 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCO[C@@H]2CCCC[C@H]21 53617161 ZPXOOOGLNUKZDY-VXGBXAGGSA-N 349.412 1.735 0 40 EDAB c1cc(CN2CCO[C@@H]3CN(C[C@H]4CCOC4)CC[C@@H]3C2)ccn1 107256304 XHDGHYDWPODJRO-GUDVDZBRSA-N 331.460 1.641 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCc2csc(C)n2)c1 42114495 HTZKCBNSCLZVRC-UHFFFAOYSA-N 326.399 1.717 0 40 EDAB COC(=O)CCCNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 22750688 YZBSFYGYESTZMZ-UHFFFAOYSA-N 334.416 1.783 0 40 EDAB CCCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 12411127 KHPPNHMBQNIZBN-UHFFFAOYSA-N 349.250 1.741 0 40 EDAB CC[C@H]1COCCN1S(=O)(=O)c1c(Cl)nc2ccccn12 37555910 JPNARKANRBUFEL-JTQLQIEISA-N 329.809 1.787 0 40 EDAB C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CCO1 54172242 AGXDGNOITSBEIR-GDBMZVCRSA-N 346.427 1.842 0 40 EDAB CN(C)c1cc(CNC(=O)N2CCN(c3nccs3)CC2)ccn1 47612462 CTZSRADXSHMHEF-UHFFFAOYSA-N 346.460 1.636 0 40 EDAB CC(C)[C@H](C(=O)NCc1cccnc1N(C)C)N1C[C@@H](C)O[C@H](C)C1 106153871 HILJEMNSEXOFBA-BFYDXBDKSA-N 348.491 1.898 0 40 EDAB NC(=O)c1nn(C[C@H](O)c2ccc(F)cc2)c(=O)c2ccccc12 25044570 KUKIQDVRXNQXMY-AWEZNQCLSA-N 327.315 1.368 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 43578772 FEYLVORUZZFEHJ-VIFPVBQESA-N 329.169 1.926 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(CNC(=O)[C@H]3CCOC3)cc2)C[C@@H](C)O1 107344590 CTDZOTZCNGNPJH-CPUCHLNUSA-N 346.427 1.589 0 40 EDAB CC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)CC1 35269363 JNZCDXCBHWUJRT-JTQLQIEISA-N 327.787 1.970 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)CCc1ccc3c(c1)OCO3)CC2 97198663 RFSIBABTNQBYMQ-CYBMUJFWSA-N 342.399 1.633 0 40 EDAB Cc1nnc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)s1 23625976 JVEYXZCXEKZUBZ-UHFFFAOYSA-N 340.430 1.191 0 40 EDAB CCN(CC)C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccccc1 48237881 HAOSLTDRTBRXRU-MRXNPFEDSA-N 336.461 1.782 0 40 EDAB O=C(C[C@@H]1C(=O)NCCN1Cc1ccoc1)NCCC1=CCCCC1 55199409 ZOXZJPWOIGCLRD-QGZVFWFLSA-N 345.443 1.977 0 40 EDAB CCNC(=O)CSc1nc(O)c2cnn(-c3ccccc3)c2n1 58022907 MBFSIHLSVJVVEA-UHFFFAOYSA-N 329.385 1.749 0 40 EDAB COc1cccc(COCC(=O)N2CCC[C@@H](c3nncn3C)C2)c1 48260716 CCVSDOBPUMDKFA-OAHLLOKOSA-N 344.415 1.747 0 40 EDAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ncccn1 3346242 SSMXQUFCOADCRX-UHFFFAOYSA-N 332.669 1.949 0 40 EDAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 100646838 APLBQPMJUJOVAZ-CNUSHZMNSA-N 343.379 1.983 0 40 EDAB CC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C 44874614 YBMKKNKACXITCJ-NHYWBVRUSA-N 340.445 1.428 0 40 EDAB CC(C)N(C)C[C@@H]1CO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 107795341 PXEFGEDBJFGAAP-CRAIPNDOSA-N 348.447 1.065 0 40 EDAB Cn1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)cc1=O 44915397 BRXXNMGZUJYGNH-CYBMUJFWSA-N 334.759 1.985 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCCN2CCCC[C@@H]2C)c1 44937459 BZDFJECFSFALOC-ZDUSSCGKSA-N 342.461 1.857 0 40 EDAB O=c1[nH]ncc(NCc2cccc(CN3CCOCC3)c2)c1Cl 58317097 HVWSXHXLZBOAGA-UHFFFAOYSA-N 334.807 1.868 0 40 EDAB CC[C@H]1CN(S(=O)(=O)c2cc(OC)c(OC)cc2C)CCO1 28036051 MIYGGICGJZZNTA-LBPRGKRZSA-N 329.418 1.812 0 40 EDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1cc(F)cc(F)c1 10665250 AVHRXQXYVHIBOA-UHFFFAOYSA-N 332.314 1.783 0 40 EDAB CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)O1 306125468 CSBXZYNJDVZDME-KBXCAEBGSA-N 349.431 1.504 0 40 EDAB CNC(=O)CN1CCC(NC(=O)N[C@H]2CCOc3ccccc32)CC1 28422776 NRHFMHWRGRROHT-HNNXBMFYSA-N 346.431 1.020 0 40 EDAB COc1cc(CN(C)c2ccc3nnnn3n2)ccc1OC(F)F 12811602 RMUBEEKEOANWDU-UHFFFAOYSA-N 336.302 1.766 0 40 EDAB COCCCNC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 45609222 PWBJDYWBIFZIEZ-UHFFFAOYSA-N 348.447 1.425 0 40 EDAB CNC(=O)COc1cccc(CNCc2cn(C)nc2C(C)C)c1 48778997 YYRNFOPWFLZFTC-UHFFFAOYSA-N 330.432 1.958 0 40 EDAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1 3881751 SFPANDZRFRLKER-LBPRGKRZSA-N 326.393 1.709 0 40 EDAB COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)cc1 49725861 BINUKVNPMHBAIC-INIZCTEOSA-N 331.416 1.074 0 40 EDAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)NC2CC2)cc1 4285483 OCZQAAAGZZZFTD-LBPRGKRZSA-N 339.413 1.369 0 40 EDAB COc1cccc2c1OC[C@H](NC(=O)N1CCCN(C(C)=O)CC1)C2 71796335 WQENXMVSOFTLIO-OAHLLOKOSA-N 347.415 1.263 0 40 EDAB COC(=O)CCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 6269042 IESPTJQUGUAITD-UHFFFAOYSA-N 331.372 1.766 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccc(CN2CCCC2=O)cc1 65473429 UIIJIAPWCSKAJD-MRXNPFEDSA-N 338.411 1.750 0 40 EDAB NC(=O)c1ccc(NC(=O)CSc2nnnn2C2CCCC2)cc1 65566070 CGVSTJGHKGMWIE-UHFFFAOYSA-N 346.416 1.618 0 40 EDAB Cc1noc(CCNC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)n1 65554407 OHDXVWCCSQFDFC-KRWDZBQOSA-N 343.431 1.025 0 40 EDAB CC(=O)NCC1CCN([C@H](C)C(=O)Nc2c(C)nn(C)c2C)CC1 65554377 FTQSDHGQHOJAAA-CYBMUJFWSA-N 335.452 1.212 0 40 EDAB COCC(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 96494813 BTGYNCJUGAYBFJ-ZDUSSCGKSA-N 344.333 1.959 0 40 EDAB CCN(Cc1c(F)cccc1F)C(=O)CN1CCS(=O)(=O)CC1 65603851 FGYUAPLJVOIJCS-UHFFFAOYSA-N 346.399 1.044 0 40 EDAB O=C(CNC(=O)NCc1ccco1)NC[C@@H]1C[C@@H]1c1ccccc1 96405493 IEWBXKSXAVDQTK-GOEBONIOSA-N 327.384 1.999 0 40 EDAB O=C(Nc1cccnc1N1CCOCC1)c1cccc2c1OCCO2 67057787 MHBCEDDFUOCEBN-UHFFFAOYSA-N 341.367 1.942 0 40 EDAB CCC[C@H](C)NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1 5924362 JQGHZKYRJZOYLG-NSHDSACASA-N 342.417 1.520 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)COCC(=O)NCc1cccnc1 68389775 WFEIQMYHEJKFLW-CQSZACIVSA-N 339.395 1.692 0 40 EDAB CCN1C(=S)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 9302658 IDRVLQBXVNWPRI-VXGBXAGGSA-N 330.862 1.932 0 40 EDAB CNc1snc(C)c1C(=O)OCc1cc(=O)n2ccccc2n1 16551632 XOVZNPYNVHYMQK-UHFFFAOYSA-N 330.369 1.858 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cccc(C(N)=O)c2)C1=O 9316031 MKKGZGZKBQBYPT-NSHDSACASA-N 339.351 1.538 0 40 EDAB Cc1ccccc1C(=O)N[C@H](C(=O)OCCN1CCOCC1)C(C)C 70021923 UKGBALPLPCHREI-KRWDZBQOSA-N 348.443 1.625 0 40 EDAB CC(C)=CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 8381049 XZMOPEUHMJTKTE-UHFFFAOYSA-N 326.393 1.625 0 40 EDAB COC(=O)Cc1csc(NC(=O)[C@H](NC(C)=O)C2CCCC2)n1 69456604 DGYSRQSFWPZUMO-CYBMUJFWSA-N 339.417 1.492 0 40 EDAB O=C1CCCN1C[C@H](NC[C@@H]1CNc2ccnn2C1)c1ccccc1 69490352 AQNQYPCTTBNBCE-WBVHZDCISA-N 339.443 1.878 0 40 EDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](n2nc(C)cc2C)C1 69489693 CTOSRASMDKUIJX-LSDHHAIUSA-N 336.461 1.585 0 40 EDAB CCn1ccnc1CN1CCN(C[C@@H](O)c2ccccc2F)CC1 69538487 ITPMMSIDWJVOOH-QGZVFWFLSA-N 332.423 1.893 0 40 EDAB CN(Cc1ccccc1)CC1CCN(CC(=O)N2CCNC2=O)CC1 69561846 PELHNIXJKCXSDA-UHFFFAOYSA-N 344.459 1.382 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3cccc4c3OCCO4)CCO2)c1 69587636 VVSGRXQTXQRTDW-INIZCTEOSA-N 329.400 1.864 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CN2CC(n3cc(C)cn3)C2)c1 69619156 MWRGBZVCXLBPNG-UHFFFAOYSA-N 327.367 1.672 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)NCC(=O)N1CCc2ccccc21 69665774 UZSWCVLAXNUKFF-UHFFFAOYSA-N 347.415 1.607 0 40 EDAB CN1CCCC[C@H]1CN1CCN(C(=O)COc2cccc(F)c2)CC1 69741804 QSIQGTJIKRHWHB-KRWDZBQOSA-N 349.450 1.833 0 40 EDAB CC(=O)Nc1ccc(/C=C/C(=O)N2CCNC(=O)[C@H]2C(C)C)cc1 69704554 QJUIWVJJTOQAQT-RCMYXZNBSA-N 329.400 1.641 0 40 EDAB NC(=O)C1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1 9549564 GIWQXNHFSYQQBD-UHFFFAOYSA-N 331.372 1.099 0 40 EDAB CCc1cc2c(=O)n(CC(=O)N3CCO[C@H](CC)C3)cnc2s1 71830872 KUCPSLFBZVATLS-LLVKDONJSA-N 335.429 1.658 0 40 EDAB CCOC(=O)CN1CCCN(c2ncc(Br)cn2)CC1 71889663 OKQKLCLPGABMPL-UHFFFAOYSA-N 343.225 1.314 0 40 EDAB CN(C[C@@H]1CN(CCOc2ccccc2F)CCO1)c1cccnn1 83859266 YXHTUVJGCZWMHE-OAHLLOKOSA-N 346.406 1.832 0 40 EDAB CN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1 83877741 IJOKJPBZELMZID-SJORKVTESA-N 329.444 1.288 0 40 EDAB O=C(CNCCn1cccn1)NC[C@H]1CCN(c2ccccc2)C1 72267770 VBXQCEYOODVRCJ-MRXNPFEDSA-N 327.432 1.115 0 40 EDAB COc1ccc(CNC(=O)C2(N3CCOCC3)CCCC2)cc1OC 74167153 SIQAIVPWTLQDAK-UHFFFAOYSA-N 348.443 1.965 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 95964389 PJIFBTBJURJUPW-KOLCDFICSA-N 336.335 1.227 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 95964388 PJIFBTBJURJUPW-MWLCHTKSSA-N 336.335 1.227 0 40 EDAB Cn1cc(CCNC(=O)c2cn(-c3cccc(Cl)c3F)nn2)cn1 95989094 LYLSBUGGFACTNL-UHFFFAOYSA-N 348.769 1.766 0 40 EDAB CS(=O)(=O)Nc1cccc2c1CCCN2CCN1CCOCC1 95957874 IIHBKYRGFPOMKE-UHFFFAOYSA-N 339.461 1.143 0 40 EDAB COCCN1CCC(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)CC1 75125561 GGXKYIFJAJJVEA-UHFFFAOYSA-N 345.399 1.476 0 40 EDAB Cc1cc(CC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)no1 89601024 ASUZPUXQOYSYKD-NSHDSACASA-N 326.299 1.360 0 40 EDAB Cn1cc([C@]2(C)CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)cn1 89919554 QFUXVIWTRRMPPW-KRWDZBQOSA-N 325.372 1.684 0 40 EDAB CCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408602323 CXRCAJVNJNCPJZ-SNVBAGLBSA-N 348.852 1.884 0 40 EDAB COc1ccccc1[C@H](CO)NC(=O)[C@H](C)NC(=O)CC(C)(C)C 547981371 NOSQTOGUMLVCEX-JSGCOSHPSA-N 336.432 1.786 0 40 EDAB COc1ccnc(N2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)c1 548414244 MTOLLKKSCNQUFX-UHFFFAOYSA-N 329.404 1.440 0 40 EDAB c1ccc(O[C@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)nc1 306136515 PVSNTJHXQCPUHO-ZDUSSCGKSA-N 338.371 1.336 0 40 EDAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3cccnc3)ccc21 75433471 OWTLVHPPOLNZHC-UHFFFAOYSA-N 349.437 1.956 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccc(F)c2)CC1 72241919 YHZYEVZVKDSESA-NVXWUHKLSA-N 333.407 1.509 0 40 EDAB Cc1cc(C)c(C(=O)N2[C@@H](C(=O)O)COC23CCN(C)CC3)c(C)c1 71980096 YTRKLRROBOMRBP-OAHLLOKOSA-N 346.427 1.959 0 40 EDAB O=S1(=O)C[C@@H](NCc2ccccc2)[C@H](NCc2ccccc2)C1 38201484 VBWQFJPGNFMRGR-QZTJIDSGSA-N 330.453 1.732 0 40 EDAB C[C@@H](CNC(=O)NCCN1CCCOCC1)N1CCc2ccccc21 186966399 ZNPGRTTZDRERRW-INIZCTEOSA-N 346.475 1.459 0 40 EDAB C[C@H](NC1(CNC(=O)Cn2cccn2)CCOCC1)c1ccccc1 79096146 MOGYFCFVIJTUHJ-INIZCTEOSA-N 342.443 1.899 0 40 EDAB COc1ccc(C(=O)N2CCOC[C@H](Oc3cnccn3)C2)cc1 77265747 SDNWNDBKIBQJKI-OAHLLOKOSA-N 329.356 1.405 0 40 EDAB biogenic,in-vitro CO[C@@H]1C=C[C@]23c4cc5c(cc4[C@H](O)O[C@@H]2CN(C)[C@H]3C1)OCO5 73336757 KLJOYDMUWKSYBP-BTLOSHPOSA-N 331.368 1.332 0 40 EDAB C[C@H](N)C(=O)N1CCC[C@@H](CN(C)C(=O)OCc2ccccc2)C1 79412796 OMNWNOIDDVJALA-HOCLYGCPSA-N 333.432 1.841 0 40 EDAB COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)C(C)(C)C)O2)no1 77262662 WCXDSFGAGRGKJI-AEGPPILISA-N 340.420 1.434 0 40 EDAB biogenic,in-vitro CC1(C)C(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)C1(C)C 73638577 FOKIGCILJKPQFW-UHFFFAOYSA-N 335.492 1.825 0 40 EDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 218095067 KSJLTGNDNCCQGM-SJORKVTESA-N 346.452 1.539 0 40 EDAB CNCC(=O)N1CC[C@H](c2nc(C)cc(Nc3ccccn3)n2)C1 72383027 SSIVPYAVSRQDJP-ZDUSSCGKSA-N 326.404 1.459 0 40 EDAB COc1ccc(CNC(=O)NC[C@H](O)c2cccn2C)cc1OC 75155189 WBBBJNPEIYQATL-AWEZNQCLSA-N 333.388 1.575 0 40 EDAB Cc1cccc(C2CCN(S(=O)(=O)N3CCOCC3)CC2)n1 72363997 OSNOESQLUOQTOE-UHFFFAOYSA-N 325.434 1.146 0 40 EDAB CCCn1nccc1NC(=O)C(=O)N1CC[C@@H](Nc2ccccc2)C1 134816637 HETXKSSTZIMQMI-OAHLLOKOSA-N 341.415 1.945 0 40 EDAB COCCNC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 46057972 HJVHMAMZZDILRQ-UHFFFAOYSA-N 342.442 1.673 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCc3cncnc3)CC2=O)cc1C 225589660 QHAMPAXFCQSLEC-INIZCTEOSA-N 338.411 1.805 0 40 EDAB Cc1ccccc1-n1c(=O)[nH]c(C(=O)O)c(CN2CCCC2)c1=O 222658296 PFSXRLCQGVDTGP-UHFFFAOYSA-N 329.356 1.128 0 40 EDAB CCOc1ccccc1C(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 75163066 KAMZHUYOYHPPKH-UHFFFAOYSA-N 339.355 1.617 0 40 EDAB CCC(C)(C)NC(=O)[C@@H](C)N1CCN(c2nc(C)ns2)CC1 81576915 NHAZUIFCGAQGNJ-LLVKDONJSA-N 325.482 1.662 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCc1nc(-c2ccc[nH]c2=O)no1 225803679 VHWLQRALLJLSNL-LLVKDONJSA-N 340.339 1.509 0 40 EDAB COc1ccccc1C1=NO[C@](C)(C(=O)NCCCn2ccnc2)C1 222284978 GEXMSOFMTRUIHH-SFHVURJKSA-N 342.399 1.981 0 40 EDAB COC(=O)c1cc(NCc2nncn2C)ccc1Br 195553227 OEHQWCFUDUDBFM-UHFFFAOYSA-N 325.166 1.976 0 40 EDAB COc1ncnc(N(C)C)c1NC(=O)NC[C@H](CO)Cc1ccco1 533579921 DNMYNRGODZCKSA-LLVKDONJSA-N 349.391 1.117 0 40 EDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)c4ncccn4)CC3)O2)n1 96109986 QQVQRCRLQPUCBS-LBPRGKRZSA-N 329.360 1.695 0 40 EDAB C[C@@H]1[C@@H](NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCC[C@H]1C 239722373 CCNNWTCLHPDYOM-DGOCBVHBSA-N 330.428 1.734 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2C[C@@H](C(=O)N3CCCC3)O[C@H]2C1 97953606 GRIDWCSCNVSJKV-XIRDDKMYSA-N 333.432 1.893 0 40 EDAB Cc1noc(C)c1CNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 96115916 AJTLFQWFQGQPKF-AWEZNQCLSA-N 342.355 1.048 0 40 EDAB biogenic Cn1cc(-c2ncc3c(c2C(=O)O)CCN(C[C@H]2CCOC2)C3)cn1 96189245 ROKUHJXUEVEMPL-GFCCVEGCSA-N 342.399 1.575 0 40 EDAB Cc1nc(CN2C[C@@]3(CCN(C(=O)c4cc[nH]n4)C3)CC2=O)cs1 96239371 UBJCKARGWMJDRB-INIZCTEOSA-N 345.428 1.439 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C[C@@H]2C(=O)O)cc1C 96069091 UPDZXDVWYBPGFG-DLBZAZTESA-N 346.427 1.693 0 40 EDAB CC(C)Oc1nccnc1N1CCC[C@](O)(c2cn(C(C)C)nn2)C1 583616883 QSWJBUPMSXOVCW-QGZVFWFLSA-N 346.435 1.924 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617809 UFPGQFBCHXUJIE-HNNXBMFYSA-N 336.779 1.591 0 40 EDAB O=C(c1ccn(C2CCCC2)n1)N1CCC[C@](O)(c2cnn[nH]2)C1 583619035 XETBHNNGIWKDAB-MRXNPFEDSA-N 330.392 1.240 0 40 EDAB O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(C1CCOCC1)C2 96209473 OJVRDDAQLPZVAL-YLJYHZDGSA-N 344.455 1.473 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)ccc1-n1cnnn1 245230736 XUWOEJBGWJFZQK-SGMGOOAPSA-N 333.417 1.438 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 247560954 YRPSESCWOPJMPM-HZSPNIEDSA-N 342.848 1.594 0 40 EDAB Cn1ccc(C(=O)N2CC3(C[C@H](Oc4ccccn4)CCO3)C2)n1 248159744 XBVKEMXDGZCJDS-CYBMUJFWSA-N 328.372 1.268 0 40 EDAB Cc1cccnc1C(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257325275 WSFSOODEXBPIRO-LJQANCHMSA-N 340.427 1.889 0 40 EDAB CCc1ccc(C(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)cc1 257295031 QWQQKKNPKTWFQA-IBGZPJMESA-N 340.427 1.800 0 40 EDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)CC[C@@H]1CCCCO1)CC2 585115460 BHGWKVOPCHLIIM-KBPBESRZSA-N 345.461 1.551 0 40 EDAB CC(C)(C)c1ccccc1S(=O)(=O)NC(=O)CC1OCCCO1 252498932 RRBHQUIJTSXALD-UHFFFAOYSA-N 341.429 1.942 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2N)C1 252535902 HDCAQWPZWXWGLB-FRRDWIJNSA-N 349.397 1.763 0 40 EDAB COc1ccc([C@@H]2CN(S(=O)(=O)c3cccnc3)CCN2C)cc1 257270376 MTZCMYUEYNXNCB-KRWDZBQOSA-N 347.440 1.768 0 40 EDAB Cc1ccc(CC[C@H](C)NC(=O)N2CCOC[C@@H]2c2ncnn2C)o1 252488329 IPEVUJRUBBNQCB-SWLSCSKDSA-N 347.419 1.821 0 40 EDAB CCc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cnccn3)C2)cc1 257330647 XPHRIQRCGVJYCM-LJQANCHMSA-N 340.427 1.752 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@@H](c2ccnc(Nc3ccccn3)n2)C1 257325612 WTSBAPQWNDVMCG-GFCCVEGCSA-N 348.432 1.211 0 40 EDAB O=C(O)c1cc(-c2cc(CC[C@@H]3CNCCO3)ncn2)ccc1O 257245114 IOCRJUBRDFCFNC-CYBMUJFWSA-N 329.356 1.468 0 40 EDAB Cc1n[nH]cc1-c1nccnc1C[C@@H]1CCCN(S(C)(=O)=O)C1 257335156 YIXKMVKPMGJKPF-LBPRGKRZSA-N 335.433 1.389 0 40 EDAB O=C(CN1CCCC1)N1CCCC[C@@H]1c1cc(O)n2nccc2n1 257219485 DGXXUBCQZGLSDY-CQSZACIVSA-N 329.404 1.584 0 40 EDAB COc1cccc(O[C@@H]2C[C@@H](NC(C)=O)[C@H](N3CCCC3)[C@H]2O)c1 257316153 VEJCDKCGIRBSFZ-BDXSIMOUSA-N 334.416 1.176 0 40 EDAB Cc1ccc(O[C@@H](C)Cn2nnnc2N(C)C[C@@H]2COCCO2)cc1 1616033318 NLSYNGYWOKQKBC-GOEBONIOSA-N 347.419 1.301 0 40 EDAB CC(C)CCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCOCC2)C1 575404278 AUIOICGSHJOIGJ-INIZCTEOSA-N 348.447 1.452 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)Cc2ccnn21 585111635 DVDPYRPBBDLCPM-MRXNPFEDSA-N 334.445 1.379 0 40 EDAB COCCN1CC[C@@]2(CN(Cc3cccnc3)CC(F)(F)C2)C1=O 585093206 JDGOBJWADGKYBA-MRXNPFEDSA-N 339.386 1.788 0 40 EDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2cncn21 585096086 ZVZMVHKZGWHVIF-INIZCTEOSA-N 340.383 1.312 0 40 EDAB CCCC(=O)N1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 585096030 NNCACFYTHWELHE-HNNXBMFYSA-N 346.456 1.987 0 40 EDAB COc1ccc(OC)c([C@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 48039205 MKEMMXRBMSHWGJ-CXAGYDPISA-N 334.372 1.458 0 40 EDAB COc1ccc(OC)c(/C=C/C(=O)N2CCC(CC(N)=O)CC2)c1 49391363 VWMKAPQQCNWJEH-ZZXKWVIFSA-N 332.400 1.831 0 40 EDAB COCc1cc(NC(=O)NCc2nc3c(s2)COCC3)ncn1 930427438 IITITUQNWYTBOL-UHFFFAOYSA-N 335.389 1.474 0 40 EDAB CCN1C[C@H](C(=O)NCCNc2ncc(Cl)cc2Cl)CC1=O 63757711 HHVITFXBVZJORE-SECBINFHSA-N 345.230 1.785 0 40 EDAB CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@]1(C)CC1(Cl)Cl 72290105 XYTYUCSPMYDWNA-KCJUWKMLSA-N 325.261 1.950 0 40 EDAB Oc1cc(N2CCN(c3nc4ccc(F)cc4o3)CC2)nc(O)n1 1565520686 FDOQSCYBZVFAHQ-UHFFFAOYSA-N 331.307 1.495 0 40 EDAB O=S(=O)(NCCC1CC1)c1cnc(NCCCO)c(Cl)c1 1615046148 YZKUIUCAGYPBAS-UHFFFAOYSA-N 333.841 1.608 0 40 EDAB Cn1cnnc1[C@H]1CN(CC2(c3ccc4c(c3)OCO4)CC2)CCO1 1615605392 MOJJRGAEHPUAMI-MRXNPFEDSA-N 342.399 1.649 0 40 EDAB CCCNC(=O)NC(=O)CSc1nnnn1-c1c(C)cccc1C 5391617 WJBVISDYMLXFIT-UHFFFAOYSA-N 348.432 1.607 0 40 EDAB COC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 5454446 XJNLCCIXRQPNFH-CQSZACIVSA-N 336.388 1.617 0 40 EDAB CC(=O)NC1=NC(=O)/C(=C/c2coc3ccc(C)cc3c2=O)N1C 5618986 HIISGZXVEIVEQX-QPEQYQDCSA-N 325.324 1.406 0 40 EDAB COc1ccc(NC(=O)N2CCC(O)(c3nccn3C)CC2)cc1 12143585 ZJTAXXYTPFSVMA-UHFFFAOYSA-N 330.388 1.944 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C1 12238942 VOHNFWYXRSZKNX-HNNXBMFYSA-N 334.445 1.281 0 40 EDAB COCC(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 12326952 UDCKZDMCLWPTEO-UHFFFAOYSA-N 325.319 1.414 0 40 EDAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nnc(O)[nH]c1=O 13831867 NCVQSAHEYFICTM-DCAQKATOSA-N 341.433 1.967 0 40 EDAB COc1cccc(CN2CCN(CC(=O)N3CCOCC3)[C@@H](C)C2)c1 19575644 YGNVUEIKJBDCPA-INIZCTEOSA-N 347.459 1.060 0 40 EDAB CN1CCc2c(O)nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)nc2C1 19590727 GOQYYBBXSXCCHW-HNNXBMFYSA-N 346.431 1.055 0 40 EDAB CN(CCc1ccccn1)C(=O)C1CN(C(=O)C[C@@H]2CCCO2)C1 19748580 CUDRJWUVQYFXEJ-INIZCTEOSA-N 331.416 1.110 0 40 EDAB COc1ccc(CC(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)cc1C 643585567 SSSHNNXUNZKNPR-KYJSFNMBSA-N 337.416 1.339 0 40 EDAB Cc1noc(C)c1CCC(=O)NCC1CCN(C(=O)N(C)C)CC1 390831360 RKSDNVXDFRHHFZ-UHFFFAOYSA-N 336.436 1.734 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cc[nH]n5)C[C@H]4C3)n1)CCC2 1888867116 SZXUTKQYNSMLNQ-BETUJISGSA-N 338.415 1.205 0 40 EDAB CCn1cnc2c(N3CCN(c4ncnc5[nH]ccc45)CC3)ncnc21 1888914111 JJWOZMLEBWALIH-UHFFFAOYSA-N 349.402 1.444 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(c2ncnc3ccsc23)C1)C1CC1 1889119438 HRKPZAOFFLEFKO-SNVBAGLBSA-N 338.458 1.742 0 40 EDAB O=S(=O)(NC1CN(c2cnccn2)C1)c1ccc2c(c1)CCCC2 1260985361 ZEOHBCGJGBMEMF-UHFFFAOYSA-N 344.440 1.523 0 40 EDAB CN1C(=O)COC[C@@H]2CCN(C(=O)CCc3ccc(F)cc3)C[C@@H]21 2037985626 QABKBERSZWTVDB-HOCLYGCPSA-N 334.391 1.464 0 40 EDAB CC(C)N1CC2(CN(C(=O)c3cc(C4CC4)on3)C2)c2nccnc21 1565555917 RVLOUAWLJCNQJI-UHFFFAOYSA-N 339.399 1.964 0 40 EDAB CCOC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1 4280320 MQMQVCLCUSASEW-UHFFFAOYSA-N 337.401 1.710 0 40 EDAB Cc1nnsc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 4584569 FMFAZYPHFCZWLB-UHFFFAOYSA-N 329.385 1.897 0 40 EDAB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(CC)nc21 5271219 OVZIGGHGQJFCGJ-UHFFFAOYSA-N 327.344 1.169 0 40 EDAB O=C1NCCOc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 8961811 JXDZMGMCILOFJK-UHFFFAOYSA-N 346.408 1.793 0 40 EDAB COC(=O)CS[C@H]1CCN(S(=O)(=O)Cc2ccccc2)C1 217568935 IYECDCSKCHKKON-ZDUSSCGKSA-N 329.443 1.497 0 40 EDAB CN1c2ccc(F)cc2N(CCNC(=O)OC(C)(C)C)S1(=O)=O 575610918 CICSNVFPASBBRF-UHFFFAOYSA-N 345.396 1.851 0 40 EDAB Cc1nccc(O[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 585147099 HMPXBAXJOLMJAJ-CQSZACIVSA-N 341.367 1.736 0 40 EDAB CC(=O)NCCOc1cccc2c(OCCNC(C)=O)cccc12 96191851 FEZYWLQNOBBONZ-UHFFFAOYSA-N 330.384 1.870 0 40 EDAB COc1ccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cn1 40268975 VHRACZSNRXJUQI-UHFFFAOYSA-N 334.420 1.454 0 40 EDAB C[C@H](NS(=O)(=O)N1CCOCC1)c1ccc2c(c1)OCCCO2 40520592 ZOQDLKPNEZRYRT-LBPRGKRZSA-N 342.417 1.076 0 40 EDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 40528480 SHHZIRHENIRSTF-VIFPVBQESA-N 347.820 1.551 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3nncn3C)C2)c1 40513464 MHVJFPXZFZUTGK-AWEZNQCLSA-N 348.428 1.586 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1nnc2ccccc2c1=O 40534951 NGBRBAXVYOKWIN-BBRMVZONSA-N 344.415 1.503 0 40 EDAB CC(=O)NCCCCCC(=O)NC1=NNC(=O)[C@H]1c1ccccc1 101046190 NSNWNSVWBJGWDI-HNNXBMFYSA-N 330.388 1.026 0 40 EDAB COC(=O)c1cn(C(C)(C)CO)cc2c(=O)n(-c3ccccc3)nc1-2 101728619 NKYDPLZLWPDGHF-UHFFFAOYSA-N 341.367 1.653 0 40 EDAB O=C(O)[C@@H]1CC(=O)N(c2ccc(I)cc2)C1 105497 DADZYTUNVAXREA-SSDOTTSWSA-N 331.109 1.729 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)OCC(=O)NC(=O)NCc1ccco1 2643472 WSBQEXJHVHNJJX-GFCCVEGCSA-N 346.339 1.616 0 40 EDAB Cn1c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc(Cl)c1Cl 32952210 NVQZINWUWYKXCL-UHFFFAOYSA-N 345.186 1.146 0 40 EDAB COCCn1cc(CNC[C@@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cn1 76042647 HKHRRDHBDLQSBP-WMZOPIPTSA-N 347.463 1.747 0 40 EDAB CN1CCC[C@H](NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 76994334 HARUHWGAQHMRFO-LBPRGKRZSA-N 346.399 1.436 0 40 EDAB COC[C@H](C)NC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C 78876916 SUWAMRGDZDIMEZ-QWHCGFSZSA-N 330.425 1.554 0 40 EDAB O[C@@H](CN1CCO[C@H](CNc2cccnn2)C1)c1ccc(F)cc1 78893599 VWKBVPXYMQXVQN-CVEARBPZSA-N 332.379 1.462 0 40 EDAB Cc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)ccn1 79361858 KVVNONAIMUYMPD-GOEBONIOSA-N 327.388 1.672 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)[C@H]1Oc2ccccc2O[C@H]1C 84012134 AHSRCOQROHUTHT-GUYCJALGSA-N 329.400 1.924 0 40 EDAB O=C(CNC(=O)c1cccs1)NCC(=O)OCc1ccccc1 4510578 WXHCOSDBCWPZPH-UHFFFAOYSA-N 332.381 1.338 0 40 EDAB COCCNC(=O)/C(=C\c1cccn1C)NC(=O)c1cccs1 4983747 SALUSWCXHTWDKT-ACCUITESSA-N 333.413 1.620 0 40 EDAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 6817833 HNIAYSDXQVBBDK-UHFFFAOYSA-N 330.391 1.414 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCO[C@H](c2nccs2)C1 104185549 KQQPZDSGXFKLPA-DHPZXVACSA-N 335.433 1.184 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 46923287 BEJSVJJJSIGQRE-TXEJJXNPSA-N 326.418 1.409 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cnn(C)c1C(F)F 102738717 WGSYYGFXYNPKSV-MPKXCIJOSA-N 327.331 1.675 0 40 EDAB CCN1C(=O)C(=O)N(CN(Cc2ccc(OC)cc2)C2CC2)C1=O 23640832 DETSKKIZUQNEGT-UHFFFAOYSA-N 331.372 1.428 0 40 EDAB Cc1ccccc1Cn1cc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cn1 102015367 LUIZAZJQLVUIBW-QAETUUGQSA-N 337.379 1.907 0 40 EDAB Cc1nc(CCNC(=O)c2ccc(=O)n(-c3ccccc3)n2)cs1 24754839 KTUXONHWVMXATH-UHFFFAOYSA-N 340.408 1.970 0 40 EDAB Cc1c(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cnn1C 57279921 ONTOQNDXEHENIQ-UHFFFAOYSA-N 348.428 1.437 0 40 EDAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)c1 52410396 XHPZUGDWBGAMOH-UHFFFAOYSA-N 337.353 1.959 0 40 EDAB CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(F)ccc2F)CC1 47974802 LACUAMTWAKKDFD-OAHLLOKOSA-N 337.370 1.343 0 40 EDAB O=C(NCCCN1CCCC1=O)c1cccc(Nc2ncccn2)c1 43802573 YIISZUJOAZIBPL-UHFFFAOYSA-N 339.399 1.963 0 40 EDAB Cc1c(C(=O)N[C@@H](C)C(=O)N2CCCCC2)[nH]c2c1C(=O)CCC2 57220017 XIDPZFXTPQZKBD-LBPRGKRZSA-N 331.416 1.973 0 40 EDAB CNC(=O)[C@H](C)OC(=O)CCCNC(=O)c1ccc(Cl)cc1 26428826 VFXAQYGJSBQIMR-JTQLQIEISA-N 326.780 1.528 0 40 EDAB C[C@@H](C(=O)NCc1ccc(-n2cncn2)nc1)n1cnc2ccccc21 48278685 KGRSOKRBVQTRRM-ZDUSSCGKSA-N 347.382 1.889 0 40 EDAB c1cc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)ccn1 100120871 QQJBGXSHNUFATP-CRAIPNDOSA-N 337.427 1.970 0 40 EDAB Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)CC[C@H]2NC(=O)NC2=O)c1 27080769 NPQOEXNGZGAJCR-VXGBXAGGSA-N 347.371 1.162 0 40 EDAB O=C(CCN1CCN(C(=O)Cc2ccccc2Cl)CC1)NC1CC1 58196485 PEEGNQBIHMNATO-UHFFFAOYSA-N 349.862 1.695 0 40 EDAB CCCCOc1ncccc1CNC(=O)NCC(=O)N1CCCC1 58169087 OCDDYFKDEHTQSA-UHFFFAOYSA-N 334.420 1.682 0 40 EDAB CCN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc(C(=O)NC)cc1 58174353 OUKUHVFVTGFVMS-LBPRGKRZSA-N 326.418 1.093 0 40 EDAB CCOC(=O)CN(CC(=O)NC(=O)NC1CC1)Cc1ccc(C)cc1 58218839 XTAUGVSOJLMBIP-UHFFFAOYSA-N 347.415 1.348 0 40 EDAB O=C(CN1CCC(c2ccnn2CCO)CC1)NCC1CCCCC1 58298974 YQRYXMDTVGFHLT-UHFFFAOYSA-N 348.491 1.751 0 40 EDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1OC(F)F 58264138 OFVJYBZNHKUPBS-SNVBAGLBSA-N 348.371 1.577 0 40 EDAB CCOC(=O)C1(NC(=O)C[C@H]2CCS(=O)(=O)C2)CCCCC1 58382020 YOQFKEFSTDDBHX-GFCCVEGCSA-N 331.434 1.193 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)COc2ccccc2)CC1 58394057 ZOYVBZOAIGEZJF-INIZCTEOSA-N 331.416 1.006 0 40 EDAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCCC(=O)N1CCOCC1 58314558 RKWWPNBRPIPNOL-LLVKDONJSA-N 342.342 1.097 0 40 EDAB COc1cc2ncn(CCCC(=O)NCC(C)C)c(=O)c2cc1OC 10754848 PRTPHOOMFGICHS-UHFFFAOYSA-N 347.415 1.966 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)NCCCC(N)=O)Oc2ccccc21 48313985 GHNCTIKPMWUORQ-CYBMUJFWSA-N 334.420 1.181 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=S)NC[C@H]2CCCO2)cc1 36847360 FYCSDYUFBUQKND-GFCCVEGCSA-N 328.459 1.233 0 40 EDAB O=C(CNC(=O)c1ccco1)Nc1nc(CN2CCCC2)cs1 24927462 FTVRQVDOXCJYAM-UHFFFAOYSA-N 334.401 1.700 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3419765 MIHFXDXVXNTOHK-KZULUSFZSA-N 329.400 1.541 0 40 EDAB C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=NN3CCC)n(C)c1=O 8724560 HSYRKCXEXDRUSK-FNORWQNLSA-N 330.392 1.079 0 40 EDAB O=C(O)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 13360182 NEGWISUTHKBNJR-UHFFFAOYSA-N 348.380 1.692 0 40 EDAB C[C@@H](SCc1cccc(F)c1F)C(=O)N[C@@H]1CCS(=O)(=O)C1 9690744 HUAKVYVXURVDMI-MWLCHTKSSA-N 349.424 1.890 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccccc2)c1C 14016553 MJIJLIMQQPZJHB-UHFFFAOYSA-N 344.367 1.891 0 40 EDAB NC(=O)CC1CCN(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1 65514552 BGOGRYVQXDISLP-AWEZNQCLSA-N 344.415 1.089 0 40 EDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H]1C[C@@H]1C 65552721 XVXTYVRNVHQGHZ-MVWJERBFSA-N 331.869 1.950 0 40 EDAB CN1CCN(C(C)(C)CNCc2cn(C)nc2-c2ccncc2)CC1 65529247 XDVYPIUIMOTMQO-UHFFFAOYSA-N 342.491 1.598 0 40 EDAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1 65604426 CMMGOCJDAYECQM-XHSDSOJGSA-N 346.475 1.796 0 40 EDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)N[C@@H]1CCCC[C@@H]1C 5403558 FTIUKMBINLBCLI-AQXMUXADSA-N 340.445 1.661 0 40 EDAB COc1cc(NC(=O)C(=O)NCc2ccccn2)cc(OC)c1OC 9418737 OMJADIXEEFIPAF-UHFFFAOYSA-N 345.355 1.362 0 40 EDAB CC(C)c1ccc(-c2nnc(NC(=O)Cn3cnnn3)s2)cc1 7987332 CSHYVSASMXLTJF-UHFFFAOYSA-N 329.389 1.954 0 40 EDAB CCc1nn(C)cc1NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 91199114 ZVIQMAOEIVPRAY-LBPRGKRZSA-N 345.407 1.033 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[C@@H]2CCCC[C@@H]2C1 16694863 GLVZMCISBMPCJT-UONOGXRCSA-N 333.432 1.890 0 40 EDAB CCc1nnc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)s1 8184644 JCCYCCXXMFDFTN-NSHDSACASA-N 329.389 1.510 0 40 EDAB CC1(C)CN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CCO1 70009932 FEILJECZSFGSTA-UHFFFAOYSA-N 333.367 1.931 0 40 EDAB O=C(CN1CCO[C@H](Cn2cccn2)C1)N1CCCc2ccccc21 69375425 PKGLTSIWRSTCKD-KRWDZBQOSA-N 340.427 1.563 0 40 EDAB Cc1cccc(C(=O)N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)c1C 69348643 MAOJRUOHHJLCFY-QGZVFWFLSA-N 343.471 1.930 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(N2CCNC2=O)c1 69455150 ABKSRZHOVVIDNX-IRXDYDNUSA-N 342.443 1.915 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)NC2CCC(O)CC2)CC1 71798639 MBOKGPNAYVOLHM-UHFFFAOYSA-N 327.425 1.552 0 40 EDAB Cc1ccc([C@@H](CNC(=O)CN(C)c2cnccn2)N2CCCC2)o1 69537721 WHNSRIBPAUCRDU-OAHLLOKOSA-N 343.431 1.768 0 40 EDAB O=C(CCNC(=O)c1ccco1)NCCCCNc1ccccn1 69563231 FAAMWXJJNXHYPJ-UHFFFAOYSA-N 330.388 1.803 0 40 EDAB COc1ccc(CCNC(=O)CN2CCC[C@H]2Cn2cncn2)cc1 69601238 KXNHBVOVCOVDBT-INIZCTEOSA-N 343.431 1.110 0 40 EDAB CCOc1ccnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 69779847 HKALCLBKFJBRIJ-MRXNPFEDSA-N 328.416 1.731 0 40 EDAB COc1ccc(F)cc1[C@@H](C)NC[C@@H]1CNc2c(C(N)=O)cnn2C1 69840792 YZPQMZNAZYWVJW-GHMZBOCLSA-N 347.394 1.522 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2c2ncnc3c2cnn3C)n1 69841039 NRPKDCHEQHCMOB-CYBMUJFWSA-N 326.408 1.631 0 40 EDAB Cc1ccc(NC2CCN(C(=O)c3cc(C(N)=O)cs3)CC2)nn1 71863562 BHOHCGMBLIYLSX-UHFFFAOYSA-N 345.428 1.662 0 40 EDAB O=C(c1cccs1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 71815225 WEXXDZPUGGBXET-OAHLLOKOSA-N 346.452 1.946 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCC(C(=O)N2CCCC2)CC1 71878518 DHEPJJSZGJDHND-UHFFFAOYSA-N 347.463 1.310 0 40 EDAB CCOc1ccc(CNC(=O)C(=O)Nc2cccnc2OC)cc1F 71880089 WTOYTKNGOOPZNY-UHFFFAOYSA-N 347.346 1.883 0 40 EDAB O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cnn[nH]1 71896697 RFGLGQJBLVQQGT-GFCCVEGCSA-N 337.786 1.992 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@H]2Cn2cccn2)cc1S(C)(=O)=O 71866583 HYISDWDABJAFFU-HNNXBMFYSA-N 347.440 1.900 0 40 EDAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)O)cc1 96999738 LUUXOIGPAPNOAD-HUYFXPKMSA-N 334.372 1.193 0 40 EDAB Cn1cc(C(=O)OCc2cccc(Br)c2)c(=O)[nH]c1=O 97049141 KWCRBNXWMDYJGI-UHFFFAOYSA-N 339.145 1.193 0 40 EDAB O=C(COCC1CC1)NC[C@@H]1CCC[C@@H]1NC(=O)COCC1CC1 72297999 QYOYZSIPXXVCJA-HOTGVXAUSA-N 338.448 1.241 0 40 EDAB C[C@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)c1ccc2c(c1)OCCCO2 84651776 YCWOFNDYLJBAMA-RYUDHWBXSA-N 346.383 1.563 0 40 EDAB CC[C@H]1CN(CCc2nc3ccccc3c(=O)[nH]2)CCN1C[C@@H](C)O 84736471 RQPIQAOCSBBLQL-CABCVRRESA-N 344.459 1.243 0 40 EDAB COC(=O)[C@@H](c1cccc(Cl)c1)N1CCC(O)(C(=O)OC)CC1 95455791 CMAXCQMVFRAMEY-CYBMUJFWSA-N 341.791 1.554 0 40 EDAB Cc1nn(-c2ccccc2)c(N)c1C(=O)N[C@H](C)c1nncn1C 95455139 JUNRJWLNHKBLRF-LLVKDONJSA-N 325.376 1.382 0 40 EDAB Cc1nccn1CCCC(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 95402704 IIQIJAZITDRQDT-CYBMUJFWSA-N 344.419 1.200 0 40 EDAB Cc1cn(C)nc1CN1CCN(c2nnnn2-c2ccccc2)CC1 1548453255 YCHRMBBDQDQGDC-UHFFFAOYSA-N 338.419 1.026 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c[nH]c2ncccc12 88787114 SZFCDAKAHKCSFP-LLVKDONJSA-N 346.416 1.530 0 40 EDAB Cc1cc(C)c(CNC(=O)NCCc2cn3c(n2)CCCC3)c(=O)[nH]1 75111249 PPDQZNDZYLUMEE-UHFFFAOYSA-N 343.431 1.566 0 40 EDAB COC(=O)[C@@H](NC(=O)C1=COCCC1)c1ccc(OC)c(OC)c1 75147790 CDJWBIPCSGNLJN-HNNXBMFYSA-N 335.356 1.728 0 40 EDAB COc1ccccc1CNC(=O)N1CCC[C@H](c2nncn2C)C1 89761901 BNSZSSJWINFHRO-AWEZNQCLSA-N 329.404 1.913 0 40 EDAB CC(C)(O)CN1CCN(C(=O)Cc2cccc(OC(F)F)c2)CC1 89761697 RXSQURZGGJKZSA-UHFFFAOYSA-N 342.386 1.746 0 40 EDAB O=C(CN1CCN(c2nc(C3CC3)no2)CC1)N1CCCCCC1 89818969 YCDWRGKPKFCHIJ-UHFFFAOYSA-N 333.436 1.472 0 40 EDAB CCc1nnc2n1C[C@H](CNCc1nc(-c3cccnc3)no1)CC2 75605669 IKIBKIQOQLPGFZ-LBPRGKRZSA-N 339.403 1.638 0 40 EDAB COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](COC(C)=O)(O4)[C@@H]3C2=O)cc1 409308896 ZCTKVONBELEJQR-BSXFFOKHSA-N 343.335 1.071 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1 68605617 YESNUIKYLSEDNZ-CVEARBPZSA-N 343.427 1.886 0 40 EDAB COCCn1nc(C(=O)N2CCC(c3ccccc3)CC2)ccc1=O 32366848 HCQXSMZGZIZXQW-UHFFFAOYSA-N 341.411 1.910 0 40 EDAB CSCC[C@@H](O)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 506000771 CWFNNZKNBMTAFO-SGMGOOAPSA-N 346.493 1.891 0 40 EDAB O=C(Cn1cnc2cc(F)c(Cl)cc2c1=O)Nc1cnccn1 1559418470 GZBOPJQQTZYERE-UHFFFAOYSA-N 333.710 1.618 0 40 EDAB CCN1CCN(CCNC(=O)[C@H]2CCCN(c3ccccn3)C2)CC1 79293254 FIBPSWCZYMKVIR-KRWDZBQOSA-N 345.491 1.052 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCc2nc3ccccc3c(=O)n2CC1 72347927 UIGZXNLKLHQMCC-UHFFFAOYSA-N 337.383 1.137 0 40 EDAB Cc1ccc(-c2nc(C(=O)N[C@H]3CCS(=O)(=O)C3)cs2)o1 31277175 LKIKHXCSDRKHRH-VIFPVBQESA-N 326.399 1.628 0 40 EDAB CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2ccccc2O)CC1 152418210 WVNVFVXDXANYGE-INIZCTEOSA-N 345.443 1.090 0 40 EDAB Cc1nnc(CNC(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)n1C 79049390 SEYPCMVUOLKACF-SECBINFHSA-N 339.808 1.648 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2cc([C@@H]3CCCNC3)[nH]n2)CC1 521399006 GOQWAWXADUAUIT-CYBMUJFWSA-N 335.452 1.934 0 40 EDAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCC(C)C 217467822 XCKFUAXWQIBABF-UHFFFAOYSA-N 344.433 1.768 0 40 EDAB CC(C)[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 188402416 ILVKZXRLPTUTDF-CVEARBPZSA-N 338.473 1.988 0 40 EDAB Cc1nc(C(=O)N(C)[C@@H]2CCC(=O)N(C)C2)nn1-c1ccc(F)cc1 562857921 JCPYSGKJCJYYLI-CQSZACIVSA-N 345.378 1.408 0 40 EDAB Cc1nn(CC(F)F)c(C)c1C(=O)NCc1cn(C(C)C)nn1 563400960 CCPPICZBJSHTAD-UHFFFAOYSA-N 326.351 1.867 0 40 EDAB COCCNc1cc([C@H]2CN(Cc3cnn(C)c3)CCO2)nc(C)n1 72387768 WKGGTTJZBLNVLI-MRXNPFEDSA-N 346.435 1.150 0 40 EDAB O=C(NC[C@@H](O)C1CCOCC1)c1ccc(Br)cc1 77049119 TYHQQXWLEWGETD-CYBMUJFWSA-N 328.206 1.966 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(F)c3)CC2)no1 79001620 KGQNMACMNLIXAI-CVEARBPZSA-N 344.390 1.965 0 40 EDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 43945172 HOVOKSPEVLNJBD-LBPRGKRZSA-N 349.818 1.335 0 40 EDAB CS(=O)(=O)CCn1nnc(Cc2cccc(Br)c2)n1 193430599 OBPITCJNJPQVAK-UHFFFAOYSA-N 345.222 1.071 0 40 EDAB Cc1ccc(F)c(CC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1 570366430 DUHJFSLEGHCQFZ-IIDMSEBBSA-N 334.391 1.619 0 40 EDAB C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1cn(C)cn1 195530614 LNQVHFSECXWSPD-IOASZLSFSA-N 335.429 1.959 0 40 EDAB Cn1nc2c(c1CNC(=O)c1cncc(Br)c1)CCC2 225817745 KSDWNLBWZKXZCV-UHFFFAOYSA-N 335.205 1.996 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)NCCc2ccccc2)s1 224992973 BFKDOBOJNOHKSD-UHFFFAOYSA-N 340.430 1.408 0 40 EDAB O[C@@H](CN[C@H]1CCCN(c2ncccn2)C1)COCc1ccco1 48279913 CCKKVXUURISJBL-GJZGRUSLSA-N 332.404 1.206 0 40 EDAB CN1CCN(C)[C@@H](CNC(=O)Nc2cccc(COCC3CC3)c2)C1 195530569 RBODARUCRFBEGP-SFHVURJKSA-N 346.475 1.981 0 40 EDAB COc1ccc(CNC(=O)NCCc2nnc3n2CCC3)cc1C 86390024 NKLZMNKIAKKJDD-UHFFFAOYSA-N 329.404 1.583 0 40 EDAB O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccccn2)C1 96041293 JOIQTBFUEFBEGW-NUEKZKHPSA-N 339.399 1.490 0 40 EDAB Cc1noc([C@@H]2CCN(C(=O)c3cnn(C)c3-n3cccc3)C2)n1 577636722 IIOOBYNQIUANLB-GFCCVEGCSA-N 326.360 1.532 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)CCN2CCC[C@@H]2C(N)=O)cc1 96445715 OAQKKIZEROQZPL-OAHLLOKOSA-N 338.473 1.708 0 40 EDAB O=C(O)COCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 96509659 MXDNXFOBWHSDFZ-UHFFFAOYSA-N 346.305 1.455 0 40 EDAB O=C(Cn1c(=O)n(Cc2ccccc2)c2ccncc21)NCC1CC1 96500747 ZPEUAVQFWNIDEH-UHFFFAOYSA-N 336.395 1.773 0 40 EDAB Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccno2)n1 96186533 ZPYOEXYTEORCSI-HUUCEWRRSA-N 340.383 1.784 0 40 EDAB O=S1(=O)CCC[C@H](NC2CCN(Cc3ccccc3F)CC2)C1 96491577 LFRLZMCVMAHUIH-INIZCTEOSA-N 340.464 1.957 0 40 EDAB Cc1nc(C(=O)N(CCN2CCOCC2)[C@H]2CCSC2)c(C)o1 579462217 UIWVJXKXWSFVLN-AWEZNQCLSA-N 339.461 1.571 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 331806540 KMMRUISAGWUSEE-RYUDHWBXSA-N 345.369 1.405 0 40 EDAB CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccccc2Cn2cncn2)C1 96430770 KAWSEGFTOGCCBC-HNNXBMFYSA-N 341.415 1.267 0 40 EDAB CNC(=O)c1cc(O[C@@H]2CCCN(CCc3ccncc3)C2)ccn1 583651326 LCSQODNEOSPGCP-QGZVFWFLSA-N 340.427 1.922 0 40 EDAB CN(C1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1)S(C)(=O)=O 96443294 QTNYSLSPODDMLB-OAHLLOKOSA-N 346.880 1.729 0 40 EDAB O=C(NCc1ccccc1Cl)c1cc(N2CCOCC2)ncn1 244371412 XZBWKDUTCLEMRO-UHFFFAOYSA-N 332.791 1.897 0 40 EDAB O=C(O)[C@]1(CO)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 242728119 YTXLMGAZTPAPGW-ZMSDIMECSA-N 332.377 1.690 0 40 EDAB Cn1cncc1C(=O)N1CC(O)(c2ccc(Br)cc2)C1 585114226 AMFGGRNYLIEUNQ-UHFFFAOYSA-N 336.189 1.526 0 40 EDAB COCCOc1cc(C(=O)OC)ccc1NC(=O)c1cncn1C 585128702 LFCRLHSWIQZISK-UHFFFAOYSA-N 333.344 1.484 0 40 EDAB COc1ccc(C2(C(=O)N3CC[C@@](O)(CN4CCCC4)C3)CC2)cc1 257274310 NKLFCCTVNCNPJV-LJQANCHMSA-N 344.455 1.786 0 40 EDAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)CCN)C2)ncn1 257298206 RKQAHBXSBUBXNV-CQSZACIVSA-N 343.431 1.878 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)CN2CCCC2=O)CCN1C 257319094 VQSLRVFTIYKFRE-HNNXBMFYSA-N 331.416 1.133 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@]2(N)CN)cc1 252516232 QPHVQXMJYZQXFE-GVDBMIGSSA-N 334.416 1.730 0 40 EDAB O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCCO1 252509381 YMNQSHVASNZCPR-UHFFFAOYSA-N 339.417 1.364 0 40 EDAB COCC(=O)N(c1ccccc1)[C@H]1COC2(CCN(C(C)=O)CC2)C1 257329404 XJVOREPZNADZIB-QGZVFWFLSA-N 346.427 1.836 0 40 EDAB O=C(c1c[nH]cn1)N1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1 257221818 DQQUDDCNSYFZGJ-HKUYNNGSSA-N 340.427 1.651 0 40 EDAB C[C@@]1(C(=O)O)CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 262153560 MANDBZKFYORLFG-SUMWQHHRSA-N 337.420 1.237 0 40 EDAB COc1cccc(Cl)c1CNC(=O)N1C[C@@H](CO)[C@@H](CO)C1 1615057378 BILXTENLGNYSCW-PHIMTYICSA-N 328.796 1.091 0 40 EDAB COc1cc(CO)ccc1C(=O)N1CC2(CCOCC2)CC[C@H]1CO 1615547495 IRTWTHZSZADYRL-HNNXBMFYSA-N 349.427 1.581 0 40 EDAB NC(=O)[C@@H](CNc1cc(N2CCCC2)ncn1)Cc1ccc(F)cc1 390835333 LBMVMTOPTCQFPL-CQSZACIVSA-N 343.406 1.972 0 40 EDAB CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)c1ccnc(C(=O)O)c1 650767768 FKBXPQPGMHLAGY-JSGCOSHPSA-N 347.394 1.562 0 40 EDAB COCCN1CC[C@]2(CN(CC3=CCCOC3)CC(F)(F)C2)C1=O 585093347 QJFHRVNNTAOKRQ-INIZCTEOSA-N 344.402 1.539 0 40 EDAB O=S(=O)(NCC[C@@H]1CN(C2CCCC2)Cc2ccnn21)C1CC1 585112145 JBEBQCVABIHGQN-OAHLLOKOSA-N 338.477 1.654 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)c3cncnc3C)CCO2)c1 585277194 KWYOLLSPBXHMPW-LJQANCHMSA-N 341.411 1.540 0 40 EDAB COc1cccc(CCC(=O)N2CCC(NS(C)(=O)=O)CC2)c1 44893910 GYPIXAJRODNSBC-UHFFFAOYSA-N 340.445 1.168 0 40 EDAB O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)[C@@H](O)Cc1ccccc1 684466461 ZIPCUUSKNRMVLI-JZXOWHBKSA-N 331.412 1.577 0 40 EDAB CCC[C@@H](C)N1C[C@H](C(=O)NCc2cn3ccccc3n2)CC1=O 54831090 FVQGKQXLRXITGT-ZIAGYGMSSA-N 328.416 1.988 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2cccc(Cl)c2)no1 69373380 PABGIIVEWUKHQB-LLVKDONJSA-N 340.788 1.912 0 40 EDAB CCCc1noc(CCCC(=O)OCCCN2CCOCC2)n1 69921363 FDDYZYJRDYIVIY-UHFFFAOYSA-N 325.409 1.610 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 78889612 OVQKUJGNSRENKN-ZDUSSCGKSA-N 332.408 1.505 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(N3CCC[C@@H]3CO)CC2)cc1 96099764 UROYKQIWLLPLCD-MRXNPFEDSA-N 338.473 1.605 0 40 EDAB Cn1cc(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)c(-c2ccccc2)n1 97082919 SSXBXZSUHLZMJV-XJKSGUPXSA-N 326.400 1.823 0 40 EDAB CC[C@H]1CN([C@H](C)C(=O)NCC(F)(F)F)CCN1CCOC 106786701 NHARBXOUIGYYGO-NEPJUHHUSA-N 325.375 1.096 0 40 EDAB Cc1cc(C)c(C(=O)N2CC(S(=O)(=O)c3nccn3C)C2)c(C)c1 585322739 BVLKHZBCAYXUNT-UHFFFAOYSA-N 347.440 1.644 0 40 EDAB O=S(=O)(NCC1CC1)c1ccc(N[C@H]2CCCOCC2)nc1F 1615045780 BBPZADPCDOZFBI-LBPRGKRZSA-N 343.424 1.890 0 40 EDAB Cc1noc(C)c1C(=O)N1CC2(CC(=O)N(Cc3ccccc3)O2)C1 1549167615 QIXKWIZJWYISPK-UHFFFAOYSA-N 341.367 1.850 0 40 EDAB CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 5167823 QDRRZZKPTOWUGK-JTQLQIEISA-N 345.355 1.828 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1 12117106 VVGZQXZYXYZNRB-UHFFFAOYSA-N 334.401 1.656 0 40 EDAB O=C(O)COc1ccc(/C=C2\NC(=O)NC2=O)cc1Br 13893707 WKOWOYMHHQTDBK-YWEYNIOJSA-N 341.117 1.093 0 40 EDAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)CN1CCOCC1 19326040 NAPZJJAGOBBUFE-UHFFFAOYSA-N 347.337 1.745 0 40 EDAB NS(=O)(=O)c1ccc(CNCc2noc3c2CCCC3)c(F)c1 606446195 ZJDARBMIZRIFND-UHFFFAOYSA-N 339.392 1.630 0 40 EDAB Cc1nc(C(=O)N2CC[C@H](Oc3cncc(N(C)C)n3)C2)cs1 225398565 YVUZDXMAZLUXJQ-NSHDSACASA-N 333.417 1.601 0 40 EDAB CC(C)=CC(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 575606984 RZHKRXBQMCJXMR-UHFFFAOYSA-N 332.326 1.730 0 40 EDAB O=C1C=CN[C@H]([C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)N1 33374218 KNHIOYRLOJIHEO-QWRGUYRKSA-N 348.617 1.714 0 40 EDAB Cc1ncnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)c1C 1889078011 JFGIJEXIMXFUFB-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB O=C([C@@H]1CN(c2cc(C(F)(F)F)ncn2)CCO1)N1CCCC1 1889095505 QDOJSMHTWVGLEN-JTQLQIEISA-N 330.310 1.323 0 40 EDAB O=S(=O)(NC1CCN(Cc2nc3c(s2)CCC3)CC1)C1CC1 1849783640 VXIPTYJFAMEDPP-UHFFFAOYSA-N 341.502 1.678 0 40 EDAB CCCCCNS(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2 4941091 UWEDALNCHCRPCO-UHFFFAOYSA-N 342.417 1.255 0 40 EDAB CCOC(=O)CCC(=O)NC[C@H]1CN(c2ccc(C)cc2)C(=O)O1 9068701 PVVYALGFNQAKEY-AWEZNQCLSA-N 334.372 1.780 0 40 EDAB Cc1cccnc1CN[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055732589 RDBHHVVWLKHHEZ-HNNXBMFYSA-N 342.443 1.857 0 40 EDAB COc1cc(C(=O)N2CCc3onc(CN(C)C(C)C)c3C2)on1 2055717987 RKKDXJVGWGCBRJ-UHFFFAOYSA-N 334.376 1.710 0 40 EDAB CC(C)N(C)CC(=O)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 2055732391 GTISOPLMASSEDV-DLBZAZTESA-N 335.448 1.279 0 40 EDAB O=C(NCCCN1CCOCC1)C(=O)Nc1ccc(F)c(Cl)c1 23006455 WRSHDXXHCPUKRW-UHFFFAOYSA-N 343.786 1.256 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1nccc2ccccc12 575616408 KRBZNQYVHVSFKN-UHFFFAOYSA-N 345.362 1.770 0 40 EDAB O=C(NC[C@@H](c1ccsc1)n1cccn1)C(=O)Nc1ccon1 618255574 FRMPFGZSJRJXHB-NSHDSACASA-N 331.357 1.277 0 40 EDAB CN(C)C1(CNC(=O)C(=O)Nc2n[nH]c3ncccc23)CCCCC1 40285977 XYUDFHIQWPPPIE-UHFFFAOYSA-N 344.419 1.277 0 40 EDAB O=C(Cn1nc2n(c1=O)CCCCC2)N(Cc1ccccc1)C1CC1 30803808 PKCUQYNKIRIIHH-UHFFFAOYSA-N 340.427 1.962 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)N[C@H](C)c2ccccn2)c1 31140776 NBVFBZDBYXGVMX-GFCCVEGCSA-N 348.428 1.550 0 40 EDAB Cn1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c2ccccc21 40497297 ODXLAFDFABOJBS-UHFFFAOYSA-N 335.429 1.332 0 40 EDAB O=C([C@H]1[C@H]2CC[C@@H](C2)N1C(=O)NC1CCCCC1)N1CCOCC1 100752627 PLOOYUFOOCEHBY-CWRNSKLLSA-N 335.448 1.740 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)NCc2ccccc2F)CC1 31725219 DVOQHZQSCXLUMS-UHFFFAOYSA-N 329.397 1.049 0 40 EDAB Cc1ccc(C(=O)NC2CCN(CC(=O)N3CCCCC3)CC2)o1 51097957 HISXVOVVHGQCJE-UHFFFAOYSA-N 333.432 1.795 0 40 EDAB COCCNC(=O)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 40515957 XUZOIGUWQZSECL-GFCCVEGCSA-N 346.305 1.701 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@H]1[C@@H]1CCCN1C(C)=O 101433020 GMVWXSYGRVZCBJ-OVNPUMINSA-N 347.463 1.129 0 40 EDAB CN(CCO)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 60742337 JTVXYPKQFYERRM-GFCCVEGCSA-N 345.321 1.217 0 40 EDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCC(c2ccccc2)=N1 102662991 RFMXJRVOHJFZRJ-HUUCEWRRSA-N 337.379 1.574 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1nnc2ccccn12 76070380 JOICWIMJMLJAFZ-JTQLQIEISA-N 327.392 1.832 0 40 EDAB Cc1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1-n1cnnn1 1342003 WHZBPIHYFZEZQZ-UHFFFAOYSA-N 343.412 1.791 0 40 EDAB Cc1ccc(N2CCC(NC(=O)NC[C@H]3CCC[C@@H]3O)CC2)nc1 78953065 VFBZJVXTMQZLKS-ZBFHGGJFSA-N 332.448 1.819 0 40 EDAB O=C(NCCc1ccc(-n2cccn2)cc1)NC[C@@H]1CCC[C@H]1O 78951489 ZLFWOUKFCMWGCQ-DOTOQJQBSA-N 328.416 1.875 0 40 EDAB CC(C)OCCN1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 52710055 UEBSLDFHLJHSHV-CALCHBBNSA-N 325.497 1.534 0 40 EDAB Cc1ccccc1CN1CCCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 41314944 FISLVCTZBWQQFU-QGZVFWFLSA-N 343.471 1.898 0 40 EDAB CCOC(=O)[C@H]1[C@@H](c2cccnc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4140088 YTSGNODLZUAUKG-GIPNMCIBSA-N 347.293 1.208 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@H]2c2ccccc2)C1=O 53081288 VDBLLEVPHCSURL-KBXCAEBGSA-N 327.384 1.681 0 40 EDAB NC(=O)c1cnn2c1NC[C@H](CN[C@@H]1CCOc3ccccc31)C2 69816894 UWDOWUMKQFTRLL-SMDDNHRTSA-N 327.388 1.137 0 40 EDAB COC(=O)c1ccc(=O)n(CC(=O)N(C)Cc2ccc(C)cc2)c1 22191017 BUFDTLQMRAYSOQ-UHFFFAOYSA-N 328.368 1.602 0 40 EDAB CN(CCNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)C1CC1 69879686 ZTILRYRPSVCVHJ-CYBMUJFWSA-N 327.494 1.535 0 40 EDAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1ccc(Cl)cn1 7735239 WOGLYHCVASNWPG-UHFFFAOYSA-N 341.776 1.449 0 40 EDAB CCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 22273304 WMWCJSRKEHOZPF-UHFFFAOYSA-N 335.223 1.351 0 40 EDAB CC(=O)c1ccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 69845477 PIEJVGNKIWFLNJ-ZDUSSCGKSA-N 343.427 1.314 0 40 EDAB O=C(NCC1CCC1)C(=O)Nc1cccc(CN2CCOC2=O)c1 42020583 NLYHFKHOAFNFER-UHFFFAOYSA-N 331.372 1.494 0 40 EDAB NC(=O)CSCCC(=O)NCCCCOc1ccc(F)cc1 23133809 BHFBEASOTZWOKE-UHFFFAOYSA-N 328.409 1.710 0 40 EDAB Cc1nnc(CN(C)CC(=O)Nc2ccc(Br)cn2)o1 104689314 FZNPOVAIDCIUDC-UHFFFAOYSA-N 340.181 1.606 0 40 EDAB COc1cc(OC)cc(C(=O)Nc2cccc3c2C(=O)NC3=O)c1 3176820 GNKYKZMQWONQGW-UHFFFAOYSA-N 326.308 1.840 0 40 EDAB O=C(CN1CCC[C@@H]1C(=O)NCC(F)(F)F)Nc1cccc(F)c1 54991443 YVOYALXMTOINJL-GFCCVEGCSA-N 347.312 1.907 0 40 EDAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCN(S(C)(=O)=O)CC1 24508965 UXOAJRMZXLCVEA-GFCCVEGCSA-N 336.417 1.375 0 40 EDAB C[C@@H](NC(=O)c1cc(OCC(=O)N(C)C)n(C)n1)c1ccccc1 57312651 MNAUWCQNWBFEFW-GFCCVEGCSA-N 330.388 1.378 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@@H](OCCO)C2)c1C 106801060 BFYSNLCPMYVDSA-UKRRQHHQSA-N 336.432 1.879 0 40 EDAB NC(=O)[C@H](NC(=O)c1ccc(N2CCCC2)nc1)c1ccc(F)cc1 97162323 HOQRVHMIIOLFSA-MRXNPFEDSA-N 342.374 1.777 0 40 EDAB COCCn1nc(C(=O)NCc2ccc(Cl)s2)ccc1=O 25524090 FAMNZKWBWLBZBI-UHFFFAOYSA-N 327.793 1.535 0 40 EDAB C[C@@H]1CN(c2ccc(F)cc2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1 12647596 UOZCTBONZPHACT-SECBINFHSA-N 329.335 1.350 0 40 EDAB O=S(=O)(NCc1ccc(Cn2cncn2)cc1)c1ccc(F)cc1 48252851 OFVAVUOFAYFCOW-UHFFFAOYSA-N 346.387 1.944 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)Cn1ccccc1=O)c1ccccc1F 48235107 UITNWONAHMCXFL-KRWDZBQOSA-N 340.358 1.627 0 40 EDAB CCOC(=O)NC1CCN(C(=O)COc2ccccc2OC)CC1 57985012 YEDQILNCAPEVSU-UHFFFAOYSA-N 336.388 1.811 0 40 EDAB CN(C(=O)NCCCOCc1ccco1)[C@H]1CCS(=O)(=O)C1 48261780 AABSPKQITBRFJM-LBPRGKRZSA-N 330.406 1.015 0 40 EDAB CCOC(=O)C1=C(CN2CCC[C@@H]2c2cccn2C)NC(=O)NC1 58244935 CYYPQQQMSCFLPF-OAHLLOKOSA-N 332.404 1.292 0 40 EDAB O=C1CCCN1c1nc(CC(=O)N(C[C@H]2CCOC2)C2CC2)cs1 44941418 DHZLPSHRSSFHNH-GFCCVEGCSA-N 349.456 1.840 0 40 EDAB O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@H]1CCCO1 44966154 XEZIOROOTOVENZ-OAHLLOKOSA-N 338.367 1.662 0 40 EDAB Cc1cccc(CN2CCN(C(=O)N[C@@H](C)c3nncn3C)CC2)c1 44970833 ZDJGJFRXXBLPPN-HNNXBMFYSA-N 342.447 1.712 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)on1 44908904 BFSCESLMHRFDEV-UHFFFAOYSA-N 327.384 1.876 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)N(C)Cc1ccccn1 58341176 SNJIWVPCMMZNKZ-UHFFFAOYSA-N 327.384 1.869 0 40 EDAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(Cc2cscn2)CC1 58305373 RCWAJGPRRBZBJH-AWEZNQCLSA-N 349.460 1.974 0 40 EDAB COCCN1CC[C@@H](CNC(=O)C[C@H](C)NC(=O)c2ccccc2)C1 58432065 MNCULEFYIOJQCG-HOTGVXAUSA-N 347.459 1.280 0 40 EDAB Cc1cc(OCC(N)=O)ccc1NC(=O)[C@@H](C)c1c(C)nn(C)c1C 58695567 ADXYMMQBJBSDHC-NSHDSACASA-N 344.415 1.952 0 40 EDAB COCCN1C[C@@H](C(=O)N(C)Cc2ccc(Cl)s2)CC1=O 45307650 YRTKOJUJXNGBMJ-JTQLQIEISA-N 330.837 1.855 0 40 EDAB CCn1cc(CN(C)S(=O)(=O)c2cnn(C(F)F)c2C)c(C)n1 36615272 PZQYMHKMKPXAIQ-UHFFFAOYSA-N 347.391 1.932 0 40 EDAB COc1cc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)ccn1 48301364 NMZZZIVKPWEUSV-UHFFFAOYSA-N 326.356 1.060 0 40 EDAB Cc1cc2ncn(C[C@H](O)CN[C@H](C)CN3CCCC3=O)c2cc1C 48345994 LKTLMRWYDCGHKR-HZPDHXFCSA-N 344.459 1.615 0 40 EDAB C[C@@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)C[C@H]1CCCO1 45762781 WPISIBLCUOMCPO-DZGCQCFKSA-N 337.441 1.948 0 40 EDAB Cc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c(C)c1 45810833 DZKOBZHRHJICID-AWEZNQCLSA-N 343.470 1.644 0 40 EDAB Cc1ccc([C@](O)(CCNC(=O)c2ccc(=O)[nH]n2)C(F)(F)F)o1 29305966 UZAHNFHSPSYDQT-CYBMUJFWSA-N 345.277 1.241 0 40 EDAB O=C1CNC(=O)N1CCSCc1cc(Cl)c2c(c1)OCO2 12913368 YWXPZZRNNIIGLL-UHFFFAOYSA-N 328.777 1.854 0 40 EDAB CNC(=O)c1ccccc1NC(=O)c1cccc(S(C)(=O)=O)c1 12904250 NUVKVIPHRVXZKO-UHFFFAOYSA-N 332.381 1.702 0 40 EDAB O=C(O)CCCCCNC(=O)COc1ccc2ccc(=O)oc2c1 4024254 XLMGGXSDJABQLR-UHFFFAOYSA-N 333.340 1.933 0 40 EDAB biogenic COc1cc(C)ccc1[C@@H]1[C@@H]2[C@H](C)NC(=O)N(C)[C@@H]2NC(=O)N1C 4026600 NAWGKDIMLGSLRQ-HPEDKQMDSA-N 332.404 1.686 0 40 EDAB biogenic O=C(c1ccc(F)cc1)[C@@H](C(=O)N1CCOCC1)n1ccccc1=O 6345474 YVJDKQDCXVAZEA-INIZCTEOSA-N 344.342 1.270 0 40 EDAB Cc1cc(NC[C@@H]2CN(C)CCO2)n2nc(C(F)(F)F)nc2n1 65594026 HISBFSBAUQVLGS-SECBINFHSA-N 330.314 1.194 0 40 EDAB COC(=O)[C@@H](CNC(=O)Nc1nncs1)Cc1ccc(O)cc1 65610984 DGSMSTNKNHASJH-SNVBAGLBSA-N 336.373 1.397 0 40 EDAB C[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)c2ccccc2S1 5629109 JIVOHLUCAJLYIZ-SNVBAGLBSA-N 347.396 1.325 0 40 EDAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)NC1CCCC1 7347120 MNVLGFNTAUPXNC-UHFFFAOYSA-N 346.456 1.965 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 69230455 KZIDRLHVSLUCME-GOSISDBHSA-N 326.396 1.987 0 40 EDAB Cc1cc(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)on1 8256395 WFXONNMBLZBPGC-SNVBAGLBSA-N 329.312 1.514 0 40 EDAB CCn1c(C)cc(C(=O)COC(=O)c2nc3nccc(C)n3n2)c1C 8389689 HHLUGNOQLJERPS-UHFFFAOYSA-N 341.371 1.911 0 40 EDAB COc1ccc(NC(=O)CC(C)C)c(N2CCN(C(C)=O)CC2)n1 69451754 YYVLPXDJOFAPMJ-UHFFFAOYSA-N 334.420 1.743 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1sccc1-n1cnnn1 69597499 ZAFKBROBAOBESS-RYUDHWBXSA-N 332.433 1.423 0 40 EDAB CC1(C)Cc2ccc(C(=O)NCC(=O)NCc3ccco3)c(O)c2O1 69538143 YWNZFAHIRNYLNH-UHFFFAOYSA-N 344.367 1.745 0 40 EDAB NC(=O)[C@@H]1COCCN1C(=O)c1cccc(Oc2ccccc2)c1 91785124 IETQXUFZOWBNDQ-INIZCTEOSA-N 326.352 1.805 0 40 EDAB COc1ccc(S(=O)(=O)NC(=O)c2cccs2)cc1OC 69621233 ZAQFDDMHNWFQQS-UHFFFAOYSA-N 327.383 1.884 0 40 EDAB C[C@@H](NC(=O)Cc1cccc(OC(F)F)c1)C(=O)N1CCOCC1 69778391 POBJLHMSCLGNCW-LLVKDONJSA-N 342.342 1.194 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCOc3ccccc3C2)o1 69737283 VMJOZUJWRASNGO-UHFFFAOYSA-N 337.353 1.650 0 40 EDAB O=C(NCCC(=O)N1CCCCCC1)NCc1cn2c(n1)CCCC2 69738930 KOYDXASVMPYGKR-UHFFFAOYSA-N 347.463 1.811 0 40 EDAB C[C@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 96445706 VUXSREHEQCNQGV-ZDUSSCGKSA-N 338.473 1.578 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)C2(c3ccccc3)CC2)CC1 71881959 UYGFDTHFXGAJJK-QGZVFWFLSA-N 332.444 1.260 0 40 EDAB CCS[C@@H]1CCCCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 71899378 BJHLYTCLVWVDTN-KGLIPLIRSA-N 348.534 1.935 0 40 EDAB Cc1ccccc1CS(=O)(=O)NCCC(=O)NCc1ccncc1 71897443 CSKAIZWSJHWPOQ-UHFFFAOYSA-N 347.440 1.516 0 40 EDAB Cn1c(Cl)cnc1CN1CCCN(C(=O)c2ccccn2)CC1 71826840 DPTOYJIIBGISCA-UHFFFAOYSA-N 333.823 1.817 0 40 EDAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](C)N1CCN(C)CC1 71867476 VCCCWFAIJNWWQT-ZIAGYGMSSA-N 339.867 1.859 0 40 EDAB C[C@H]1C[C@H](N2CCN(C(=O)Cc3ccccc3Cl)CC2)C(=O)O1 71830904 KMBNWUZTYHPUKB-WFASDCNBSA-N 336.819 1.731 0 40 EDAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H](OCCO)C1 71909022 GJXWDYXGZPWYDZ-BBRMVZONSA-N 340.851 1.818 0 40 EDAB Cc1nc(C(=O)NCCCc2nc[nH]n2)nn1-c1ccccc1Cl 71916629 LRSMDWCREOKZBM-UHFFFAOYSA-N 345.794 1.710 0 40 EDAB COCCOC(=O)CC[S@@](=O)c1ccc2c(c1)OCCCO2 71921830 MJMAQOFIDKSFNS-QFIPXVFZSA-N 328.386 1.535 0 40 EDAB COC(=O)C1(C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 97380143 GSUOEKXSSSVINI-IXDOHACOSA-N 342.439 1.966 0 40 EDAB COc1cccc(CCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 83973401 QNAJXTWTJUCEAJ-QZTJIDSGSA-N 332.444 1.685 0 40 EDAB CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)C[C@@H]1CCCCO1 97013996 JALPKHIKGFWGQB-QWHCGFSZSA-N 342.465 1.725 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@@H](Oc2cccnc2)C1 97046835 RWNVCBCAMCDYJG-CYBMUJFWSA-N 348.380 1.652 0 40 EDAB CCc1nc(CN2CCN(C(=O)Cc3ccc(OC)cc3)CC2)n[nH]1 97096285 GJOFRKSSJVJDPE-UHFFFAOYSA-N 343.431 1.263 0 40 EDAB COC[C@@H](O)CNC(=O)Nc1cc(OC)c(C(=O)OC)cc1Cl 72287576 HKKRGMPSDQVNOA-QMMMGPOBSA-N 346.767 1.264 0 40 EDAB CCOc1cccc(CNC(=O)NC[C@@H](c2cnn(C)c2)N(C)C)c1 72287688 SJDZGDBIFXFNFR-KRWDZBQOSA-N 345.447 1.921 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cccnc2-n2cncn2)c1 72233947 DDEVVHGIFFICNQ-AWEZNQCLSA-N 337.387 1.472 0 40 EDAB O=C(C1CCN(CC(F)(F)F)CC1)N1CCC[C@H](n2cncn2)C1 72234890 WYCGJOJKXGKKFH-ZDUSSCGKSA-N 345.369 1.716 0 40 EDAB C[C@H]1[C@H](C)N(C(=O)Nc2ccccc2SCC(N)=O)CCN1C 95467049 TZSGVNRPYMKGBE-RYUDHWBXSA-N 336.461 1.820 0 40 EDAB Cc1nn(CC(=O)N2CCCC[C@H]2C(=O)O)c(=O)c2ccccc12 95400109 NPDHNCDPKUDJTL-AWEZNQCLSA-N 329.356 1.171 0 40 EDAB Cc1noc(C)c1CCCNC(=O)N1CCC[C@H]1C(=O)NC1CC1 95437010 NHXFVHOTVUIYJT-HNNXBMFYSA-N 334.420 1.677 0 40 EDAB Cc1ccccc1C1(C(=O)N(C)C[C@@H](O)CN2CCN(C)CC2)CC1 95417553 NRYXOMIDOOBOAA-QGZVFWFLSA-N 345.487 1.093 0 40 EDAB CCN(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(C)CC 95465146 YPRDUEVUEGHAIY-STQMWFEESA-N 341.452 1.426 0 40 EDAB COc1ccccc1CN(CCO)C(=O)c1ccn2ccnc2c1 95443508 YXVQYYABQPKKAA-UHFFFAOYSA-N 325.368 1.978 0 40 EDAB N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 95971083 YTDIOFXOPRFYTJ-SFHVURJKSA-N 343.471 1.808 0 40 EDAB CCO[C@H](C)c1noc(CNC(=O)[C@@H]2Cc3ccccc3CN2)n1 95971158 ODYXMFCNTJPVRM-RISCZKNCSA-N 330.388 1.498 0 40 EDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1ccc2cc[nH]c2n1 95997779 DDJFNEZHSBVCEA-ZBFHGGJFSA-N 344.415 1.030 0 40 EDAB Cn1cnc([C@H]2CN(C(=O)C3CC3)C[C@@]23CCN(CC2CC2)C3=O)c1 306125170 CIGFWYXCZSOHFA-BEFAXECRSA-N 342.443 1.385 0 40 EDAB Cc1ccc(C(=O)NO[C@@H]2CCCCO2)cc1NS(C)(=O)=O 60332344 JWWLBPZUDKIHGB-CYBMUJFWSA-N 328.390 1.555 0 40 EDAB CCOC(=O)C1CCN(C(=O)C(=O)Nc2cccc3cc[nH]c23)CC1 548455638 DCIQZJTVOYSVCM-UHFFFAOYSA-N 343.383 1.908 0 40 EDAB CC(=O)c1ccc(OC[C@@H](O)CSc2nnnn2C(C)C)cc1 30739202 PSYCHYLVIVDEGS-CYBMUJFWSA-N 336.417 1.989 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)N2CCOCC2)nn1C 36612423 QAUCEICDDXYSPX-CHWSQXEVSA-N 334.420 1.201 0 40 EDAB NC(=O)[C@@]1(CCCc2cccnc2)CCCN(c2cnccn2)C1 72367218 WRXWIJWGRRTMDJ-SFHVURJKSA-N 325.416 1.966 0 40 EDAB CN(Cc1ccc(OCC(=O)N2CCCC2)cc1)S(C)(=O)=O 408705812 NVYAKAWBCJIKQB-UHFFFAOYSA-N 326.418 1.079 0 40 EDAB CCNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217705302 BTNZOUAFIPLSIW-LLVKDONJSA-N 328.390 1.274 0 40 EDAB O=c1c2cccnc2cnn1C[C@@H](O)COCc1ccccc1F 77416658 IRYMPRGJMOKFLZ-CYBMUJFWSA-N 329.331 1.508 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)NC[C@@H](Cc1ccccc1)C(=O)O 561433803 JVMUEJWWNOOEDP-DZGCQCFKSA-N 340.445 1.639 0 40 EDAB O=C(NC[C@@](O)(c1ccccc1)C1CC1)C(=O)Nc1cccnc1 70968417 NTHDDOQIBLGYGL-GOSISDBHSA-N 325.368 1.434 0 40 EDAB Cn1ncc2c(N3CCN(c4ncccc4Cl)CC3)ncnc21 42848549 IJOVLDCXIWCUOE-UHFFFAOYSA-N 329.795 1.738 0 40 EDAB Cc1ccc(-c2nnc([C@H]3CCN(C(=O)COCC(=O)O)C3)o2)cc1 49170982 RYJHAPGAKKSWMR-ZDUSSCGKSA-N 345.355 1.462 0 40 EDAB biogenic,in-vitro Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)NCCC(C)C 49543903 ZUPHNZPTMHYZKZ-CYBMUJFWSA-N 343.449 1.607 0 40 EDAB C[C@H](C(=O)NCCO)N(Cc1ccccc1)C(=O)Cc1ccccc1 222760605 JGSZAIOVUQSABK-MRXNPFEDSA-N 340.423 1.755 0 40 EDAB CCc1cc(=O)n(CCNC(=O)COc2ccc(F)cc2F)cn1 86071698 CZSSUTQLDKEAIP-UHFFFAOYSA-N 337.326 1.279 0 40 EDAB CNC(=O)NC[C@@H]1CCC2(CCN(c3cc(OC)ncn3)CC2)CO1 96224968 AXCWTJRAIYEAMM-ZDUSSCGKSA-N 349.435 1.180 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCOCC2)cn1 96041639 ILVAFNBHFHFJCM-RCCFBDPRSA-N 335.448 1.595 0 40 EDAB O=C(N1CCCC1)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 96202361 RFHGWMXAXCKPEE-QGZVFWFLSA-N 331.420 1.221 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CCO[C@]3(CCN(Cc4ccco4)C3)C2)cn1 96208403 JKOJOVLEHMCYCB-CRAIPNDOSA-N 344.415 1.567 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)Cc1ccc3c(c1)OCCO3)CC2 97198666 SBVDORGAKMRCQX-ZDUSSCGKSA-N 342.399 1.285 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](Cn2cnc3sccc3c2=O)C1 96461134 YCMXZDYXNNEQCA-JTQLQIEISA-N 327.431 1.130 0 40 EDAB Cn1ccnc1CN1CC[C@]2(COCCN(CC3CCOCC3)C2)C1 96062381 OGDHHKOMVIKGIM-IBGZPJMESA-N 348.491 1.371 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 96408581 OMKWIXAURKQOFK-ZDUSSCGKSA-N 342.848 1.522 0 40 EDAB COCCN1C[C@@H](C)[C@@]2(COCCN(Cc3cccnc3OC)C2)C1 96202379 CHQWNHVNTXHLAM-APWZRJJASA-N 349.475 1.507 0 40 EDAB C[C@@H](Cc1cccs1)NC(=O)N1CCO[C@@H](c2nncn2C)C1 583623935 UUAIWLYEPSGNHZ-WCQYABFASA-N 335.433 1.591 0 40 EDAB O=C(Cc1nnc(O)c2ccccc12)N[C@H]1CCN(c2ccccn2)C1 533117212 JQNFAILASRQLOM-ZDUSSCGKSA-N 349.394 1.668 0 40 EDAB COCCN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(N)=O)CC2 96199692 WXDJRZKSOGWVMM-HNNXBMFYSA-N 331.416 1.562 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CCN(C3CCOCC3)C[C@@H]21 96043488 OFOUQFFDUBCJNG-KZNAEPCWSA-N 348.443 1.802 0 40 EDAB Cc1ccc(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)nn1 96248822 RSXWVLGJSCTKTJ-CVEARBPZSA-N 329.404 1.479 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 96202079 SMJSRGJVBCYUDL-GOSISDBHSA-N 344.415 1.378 0 40 EDAB Cc1oncc1C(=O)NCc1cc(=O)n2c(n1)CN(C(C)C)CCC2 96197675 NDOJHRMYIVRFRV-UHFFFAOYSA-N 345.403 1.084 0 40 EDAB O=C(c1cscn1)N1CC2(C[C@H](Oc3cccnc3)CCO2)C1 247874070 SHDHXIUQPSQYDX-GFCCVEGCSA-N 331.397 1.991 0 40 EDAB Cc1nn(C)c(C)c1-c1cnc(C[C@H]2CCN(S(C)(=O)=O)C2)cn1 257334830 YHNCEOVTEARVPP-CYBMUJFWSA-N 349.460 1.318 0 40 EDAB Cc1ccnc([C@H]2CN(S(=O)(=O)c3ccccc3C)CCO2)n1 257307983 TUYTZJQJXVMHCW-CQSZACIVSA-N 333.413 1.856 0 40 EDAB Cc1csc(C(=O)N(C)C[C@]2(O)CCN(c3ncccn3)C2)c1 257203498 AQIKXLSVYDJIER-MRXNPFEDSA-N 332.429 1.560 0 40 EDAB Cn1cncc1CN1CCOC[C@@H](Cc2ccc3[nH]ncc3c2)C1 257331777 XUFMOEGKKWVCDQ-HNNXBMFYSA-N 325.416 1.988 0 40 EDAB CNC(=O)CN1CCC[C@@H]1c1nccnc1Nc1nc(C)cc(C)n1 257258927 KWCZDIKCFXUKTO-CYBMUJFWSA-N 341.419 1.510 0 40 EDAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)NCCOC)cc2NC1=O 252491696 LQYDHYPMSAADQB-AWEZNQCLSA-N 342.417 1.501 0 40 EDAB O=C(Cc1cccs1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257248618 JEMAGBRZFNUXLV-HNNXBMFYSA-N 344.427 1.985 0 40 EDAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(C(=O)CNC(C)=O)C[C@H]23)cc1 257250485 JMRUAXSNBZBJOU-KZNAEPCWSA-N 345.443 1.077 0 40 EDAB CC(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)cc1 263206321 KSPAFSZOZRQRCQ-TXEJJXNPSA-N 325.386 1.462 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)Cc3cnc[nH]3)CCO2)c1 585275610 HHLBLMCKKVAEJU-SFHVURJKSA-N 329.400 1.093 0 40 EDAB O=C(CO[C@H]1CCOC2(C1)CN(C(=O)C1CCC1)C2)N1CCCC1 585093694 PTIPHEIFJKCVEJ-HNNXBMFYSA-N 336.432 1.186 0 40 EDAB CNc1cnc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H](O)C2)nc1 585278995 JXELJMBUHOEBNV-ZBFHGGJFSA-N 326.400 1.584 0 40 EDAB CC(=O)N1CCC(C(=O)N2CC[C@](O)(COc3ccccc3)C2)CC1 585271971 JDSBAXVYLGHWGI-LJQANCHMSA-N 346.427 1.287 0 40 EDAB CO[C@]1(COc2ccccc2C)CCN(C(=O)Cc2cnc[nH]2)C1 585277829 PXSSWOCFOAYWIQ-GOSISDBHSA-N 329.400 1.957 0 40 EDAB C[C@H]1c2ncc(CCOCC3CC3)n2CCN1C(=O)C1CC(O)C1 585097082 FLCUGODWPKZDCG-YGONEPDPSA-N 333.432 1.526 0 40 EDAB CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)Cn2ccnc2)C1 585275936 GUGPPAAXLZGJJH-SFHVURJKSA-N 329.400 1.888 0 40 EDAB CN(C(=O)Cc1ccc2c(c1)CCCC2)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O 585281552 ZFLOFBOUHQKCDC-NUJGCVRESA-N 330.428 1.191 0 40 EDAB CN(Cc1ccncc1)C(=O)Nc1ccc(N2CCOCC2)nc1 48083021 HYGYYFVPTSPGRH-UHFFFAOYSA-N 327.388 1.977 0 40 EDAB CC(C)S(=O)(=O)CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 55404480 ISEMFWMJDODHNU-UHFFFAOYSA-N 326.296 1.155 0 40 EDAB NC(=O)C1CCN(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 57197437 QHVMRFJAELHYMH-HZPDHXFCSA-N 349.406 1.953 0 40 EDAB O=C1NCCCN1CC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 60505780 DHASFEKNZVNTFM-ZDUSSCGKSA-N 346.435 1.083 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@](C)(O)c1cccs1 96025994 HWWLJPBYOXOQOW-CYBMUJFWSA-N 329.447 1.284 0 40 EDAB CC(C)(C)c1nc(CNC(=O)NC[C@H]2CC[C@@H](CO)O2)cs1 1615569728 RTTXDWDBTYYYQS-NEPJUHHUSA-N 327.450 1.780 0 40 EDAB COCCCN[C@@H](C)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1616038871 UBYXHILPNJKFSU-LBPRGKRZSA-N 339.440 1.757 0 40 EDAB COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1 5176159 REKWHZMALYIKHA-CYBWTRRHSA-N 329.352 1.623 0 40 EDAB O=C(CSc1ccccn1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 5277846 LANKZJCHVNNNGD-GFCCVEGCSA-N 326.443 1.352 0 40 EDAB CC(C)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 12085656 ACVNWBRWCZIUKQ-GOSISDBHSA-N 345.399 1.042 0 40 EDAB Cc1ncccc1C(=O)N1CCc2nc3sccc3c(=O)n2CC1 12738169 IMIKOGXQVVGFQW-UHFFFAOYSA-N 340.408 1.860 0 40 EDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Cc1ccccc1 206734346 RKFDHXAKTPABRI-UHFFFAOYSA-N 341.415 1.560 0 40 EDAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)c(OC)c2)C1=O 4472262 HEBALLCCLMLTAD-LQGZHCLWSA-N 337.353 1.999 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)c2c(C)nn(C)c2C)C1 225387788 DYIQVEPPNIXGFI-LBPRGKRZSA-N 331.376 1.129 0 40 EDAB CN(C)CCn1ccc(C(=O)N[C@H]2CCOc3ccc(F)cc32)n1 519178656 MSGSQUDIKTYASM-AWEZNQCLSA-N 332.379 1.837 0 40 EDAB O=C(NCCc1ccccc1)N1CCC(N2C(=O)COC2=O)CC1 244955880 GDFRFJYRUNECFJ-UHFFFAOYSA-N 331.372 1.382 0 40 EDAB O=C(CC1CCOCC1)N1C[C@H]2CCN(c3ncccn3)CC[C@H]2C1 2056224801 WJHZKFFIGBJPCY-CALCHBBNSA-N 344.459 1.968 0 40 EDAB O=C(NC1CCCCC1)[C@@H]1C[C@@]2(CO1)CN(Cc1cnc[nH]1)CCO2 2056225953 GBCJEUNZAQWSQT-WMZOPIPTSA-N 348.447 1.219 0 40 EDAB CC(C)c1ocnc1CN1CCN(c2ccc(N(C)C)nn2)CC1 2087124846 OMJQURIFQRSDGB-UHFFFAOYSA-N 330.436 1.976 0 40 EDAB CC1CC(C(=O)N2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)C1 1565547478 PZNQHQANUBKCDJ-OQGULXLBSA-N 333.432 1.563 0 40 EDAB CNC(=O)[C@H]1CCc2ncc(CNC(=O)[C@]3(C)CC=CCC3)n2C1 2055772435 IPRRSTXSNGVFTH-SCLBCKFNSA-N 330.432 1.554 0 40 EDAB O=C(N1CCC1)C1(n2cccn2)CCN(Cc2cccnc2)CC1 2055772665 LIRBDPUBJBSXBX-UHFFFAOYSA-N 325.416 1.502 0 40 EDAB O=C(NCCOc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1 30132827 CLFYYLAEOMXMSI-UHFFFAOYSA-N 327.319 1.610 0 40 EDAB Cc1cc(C)n(CC(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)n1 40512427 ADZDILOBJGHQRQ-LBPRGKRZSA-N 328.372 1.708 0 40 EDAB COc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1OC 40536271 WPYPEBMPLGHIPB-AWEZNQCLSA-N 336.432 1.865 0 40 EDAB CC(=O)N1CCCN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 51154555 PHOPGWHOBDNJAP-QGZVFWFLSA-N 344.459 1.568 0 40 EDAB Cc1ccc(-c2nc(CC(=O)N[C@H]3CCS(=O)(=O)C3)cs2)o1 32816391 VONFWFNUNHQTRZ-JTQLQIEISA-N 340.426 1.557 0 40 EDAB CCc1nnc2n1C[C@H](CNCc1nc(-c3ccoc3)no1)CC2 69700141 KNBLVOUKIHLKEN-NSHDSACASA-N 328.376 1.836 0 40 EDAB COC(=O)C1=NN[C@H](C(=O)c2ccco2)[C@@H]1c1ccc(OC)cc1 818149 VBNHHVUAGWKNJC-KBPBESRZSA-N 328.324 1.756 0 40 EDAB C[S@](=O)CCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 76041467 BJNIRVPRSGYOFP-GAJHUEQPSA-N 336.457 1.424 0 40 EDAB Cc1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c(=O)[nH]1 76066782 JBQWNPYWQIKRRN-UHFFFAOYSA-N 340.358 1.981 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2S(C)(=O)=O)C1 32901688 DPOGCKIBMCOCQD-LBPRGKRZSA-N 339.413 1.505 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C(=O)CCCc3ccccn3)C2)n[nH]1 78901317 QMOVHGDTKOZKFE-ZDUSSCGKSA-N 341.415 1.633 0 40 EDAB CC[C@H](C)c1ccccc1OCC(=O)NCC1(C(N)=O)CCOCC1 52743961 ISFBBHXYXRSSIR-AWEZNQCLSA-N 348.443 1.977 0 40 EDAB Cc1cc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)on1 6677985 MTKJDSFXDWVMCK-UHFFFAOYSA-N 338.370 1.717 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1ccccn1 41839232 AABUCQNSBXWXGB-JTQLQIEISA-N 333.369 1.452 0 40 EDAB CC1CCN(CCNC(=O)C2CCN(C(=O)c3ccco3)CC2)CC1 46957235 GWHFHQVTKMVNCX-UHFFFAOYSA-N 347.459 1.980 0 40 EDAB O=C(CN1CCCCCC1=O)OCC(=O)c1ccc2c(c1)OCCO2 8133184 IADNTMGEWYCNBQ-UHFFFAOYSA-N 347.367 1.586 0 40 EDAB CC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)CC1 802511 ZURIFUPVTRKKNR-UHFFFAOYSA-N 328.409 1.705 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1 107228497 JQYVLJQTYOYNTK-DOMZBBRYSA-N 343.424 1.606 0 40 EDAB CCOc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 24095523 VDSMPBBTWGCCGH-RRQGHBQHSA-N 345.395 1.776 0 40 EDAB Cc1ccc(-c2cc(CNC(=O)N[C@@H]3CCS(=O)(=O)C3)on2)cc1 42871141 IHVAIBPMUZTHEP-CYBMUJFWSA-N 349.412 1.636 0 40 EDAB O=C(CCN1CCOC1=O)Nc1nnc(Cc2ccccc2)s1 55186356 QIPBOYHXNGLUMI-UHFFFAOYSA-N 332.385 1.910 0 40 EDAB Cn1cccc1[C@@H](CNC(=O)COc1ccccc1)N1CCOCC1 21152024 SNTUPDMOOBMNPL-GOSISDBHSA-N 343.427 1.594 0 40 EDAB O=C(Cc1coc(-c2ccccc2)n1)NC[C@H]1CN2CCC[C@H]2CO1 106517059 KWOWXBFFNBMYFY-IRXDYDNUSA-N 341.411 1.864 0 40 EDAB Cc1ccc(N2CCC[C@@H](NCCC(=O)Nc3cc(C)on3)C2)nn1 71859775 OHJGKBVHADRUBX-CQSZACIVSA-N 344.419 1.669 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc3cc(C)ccc3o2)CC1 71881939 KQFWVTNBHFMNSO-MRXNPFEDSA-N 346.427 1.896 0 40 EDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)NCc1ccc(F)cc1 35301111 OQOFWDVFVSXHDD-UHFFFAOYSA-N 345.374 1.493 0 40 EDAB CN(C)c1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cn1 71821312 NVMNRBLJJGWGAS-UHFFFAOYSA-N 340.431 1.705 0 40 EDAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 1812041 HJQFIYOXJTWIPH-OAFZBRQQSA-N 343.379 1.935 0 40 EDAB biogenic COc1ncccc1NC(=O)N(CCC(N)=O)Cc1ccccc1 71804335 HADBNIXEXMTCLO-UHFFFAOYSA-N 328.372 2.000 0 40 EDAB O=S(=O)(N[C@@H]1CCN(CC(F)(F)F)C1)c1cc(F)cc(F)c1 57929619 LIOXAJZKLRKVEG-SNVBAGLBSA-N 344.305 1.880 0 40 EDAB Cc1nc(CC(=O)N2CCC(N(C)c3cccnn3)CC2)cs1 71863499 XSJMMWIHBBDYEF-UHFFFAOYSA-N 331.445 1.911 0 40 EDAB CCN1CCN(C2CCN([C@@H](C)C(=O)Nc3cc(C)no3)CC2)C1=O 69902135 DCYZMRDUQKUJAW-ZDUSSCGKSA-N 349.435 1.532 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCC[C@@H](O)C2)c(C)c1 44867488 TWIZFLYMSDRJHB-OAHLLOKOSA-N 333.432 1.123 0 40 EDAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)CC(=O)N(C)C 58282085 DEDWJUHUTSQTKO-NSHDSACASA-N 329.408 1.278 0 40 EDAB O=C1C[C@@H](N2CCCC[C@H]2CCO)C(=O)N1c1ccc(F)c(F)c1 20634662 GQPJOMGRXBUZNH-XHDPSFHLSA-N 338.354 1.834 0 40 EDAB NC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 58289525 QLBJQXNWVIDNDG-UHFFFAOYSA-N 337.445 1.341 0 40 EDAB O=C(NCCNc1ccccn1)NC[C@H]1COc2ccccc2O1 44910088 KLOHWHUFIDUQTB-ZDUSSCGKSA-N 328.372 1.633 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)[C@H]1COc2ccccc2C1 48276633 ILROBWOEULNPKZ-CQSZACIVSA-N 326.400 1.872 0 40 EDAB O=C(NC[C@@H]1CCCO1)NC[C@H](c1cccs1)N1CCOCC1 48234375 PXLRHHIFJMHGEZ-UONOGXRCSA-N 339.461 1.600 0 40 EDAB Cc1cc(=O)n2nc(N(C)Cc3nnc4ccccn34)sc2n1 58441490 ZNIVWKDXFFAZDE-UHFFFAOYSA-N 327.373 1.139 0 40 EDAB Cc1cc(C)n(CCC(=O)OCc2cc(=O)n3ccccc3n2)n1 10540001 QWDPHDLZQSWAMN-UHFFFAOYSA-N 326.356 1.641 0 40 EDAB CN1C(=O)COc2ccc(NC(=O)C(=O)NC3CCCCC3)cc21 36365499 TXXCXIOHVDKMHX-UHFFFAOYSA-N 331.372 1.429 0 40 EDAB COc1ccccc1COC[C@@H](O)Cn1c(=O)n(C)c2ccccc21 36392755 YFGOPWYRYOQQMU-HNNXBMFYSA-N 342.395 1.926 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)[C@H](C)CO1 45449078 QTZQWAMNSZEQIU-KGLIPLIRSA-N 327.384 1.541 0 40 EDAB C[C@@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(N)=O 11458522 XSESQRIUTPRFRG-PWSUYJOCSA-N 338.791 1.609 0 40 EDAB CON(C)S(=O)(=O)c1ccc(NC(=O)N(C)CC(C)C)cc1 62379492 UIIHEQDINXVAJY-UHFFFAOYSA-N 329.422 1.988 0 40 EDAB Cc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c(Br)c1 12913678 OJDWDOPEGNSJKP-UHFFFAOYSA-N 338.161 1.246 0 40 EDAB CCn1cnnc1CNS(=O)(=O)c1ccc(Br)cc1 48667432 IJBNCIMPZNTRQD-UHFFFAOYSA-N 345.222 1.539 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc2c(c1)OCCO2 8709383 QGVBUHASPPYHLD-UHFFFAOYSA-N 343.364 1.868 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1CCc1cnc(Br)cn1 72343958 NAMOYDDMRGGZLM-LLVKDONJSA-N 348.266 1.986 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)OCCCNC(C)=O)CC1=O 63932996 YUNLIVMZPZJXDX-OAHLLOKOSA-N 332.400 1.671 0 40 EDAB Cn1cccc1[C@@H](CNC(=O)c1ccc(F)cc1)N1CCOCC1 21152184 JRPRJPCBUHYUJC-QGZVFWFLSA-N 331.391 1.968 0 40 EDAB O=C(OCc1cc(=O)n2ccsc2n1)[C@@H]1COc2ccccc2O1 6055125 IDLORXGFJJUXTQ-ZDUSSCGKSA-N 344.348 1.639 0 40 EDAB CCNC(=O)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 6087267 IUGXMKHLBLTBHU-UHFFFAOYSA-N 343.170 1.549 0 40 EDAB COc1ccc(Cl)cc1NS(=O)(=O)[C@H]1CCS(=O)(=O)C1 8844448 YIPPMJHLOSODBG-VIFPVBQESA-N 339.822 1.277 0 40 EDAB COC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 13858149 GLRACZRYBQNVGT-SNVBAGLBSA-N 334.825 1.257 0 40 EDAB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN(C)CC1OCCO1 5254467 AWZVKBCRUJOJMB-UHFFFAOYSA-N 347.371 1.198 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc2c(=O)[nH]c(S)nc2c1 65475637 VTJKMTAJEXJESQ-IUCAKERBSA-N 348.428 1.245 0 40 EDAB COC[C@H](C)NC(=O)c1cc(Br)c2c(c1)OCCO2 65586013 MAZPBIDFLUZMID-QMMMGPOBSA-N 330.178 1.985 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCCCc1ccccc1 65515204 KKKRGNAHULSQFE-UHFFFAOYSA-N 338.411 1.931 0 40 EDAB COC(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc1 65540326 KYUWQQFKDYFVJC-AWEZNQCLSA-N 348.424 1.611 0 40 EDAB CCN1C(=S)N(c2ccccc2OC)[C@@H]2CS(=O)(=O)C[C@@H]21 9061296 FVAHYBWNLBPZBF-NWDGAFQWSA-N 326.443 1.288 0 40 EDAB COc1ccc([C@H](CNC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)N(C)C)cc1 71283120 ZPLXMYRPBNYYBO-SOUVJXGZSA-N 334.416 1.771 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCN(C)C3CC3)CC2=O)c(F)c1 65402534 ODZQUKMFFMMBHL-ZDUSSCGKSA-N 333.407 1.697 0 40 EDAB CC(=O)N1CCC(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1 67357920 HKMQKXCJJBAFJG-QGZVFWFLSA-N 349.406 1.920 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CNC(=O)CCNC(=O)[C@H]1C[C@@H]1C 67846597 BQLAQUYLKCRJNS-XHSDSOJGSA-N 348.443 1.322 0 40 EDAB COc1ccc(NC(=O)CNC(C)(C)C)cc1S(=O)(=O)N(C)C 9337800 CQXQSKXTFCYMQF-UHFFFAOYSA-N 343.449 1.272 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1cccs1)C2=O 7823732 FBRMGIWADWUTTD-YVEFUNNKSA-N 349.456 1.908 0 40 EDAB O=C1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCN1 71839448 PQBVKBSPFCNVHA-OAHLLOKOSA-N 333.407 1.386 0 40 EDAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)N(C)C)cc1 7985155 ITGISUIOUKLUIA-GFCCVEGCSA-N 338.429 1.687 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3[nH]2)cc1 8077492 RQCNQYBNRMUWLR-UHFFFAOYSA-N 343.408 1.788 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2nccc3ccccc23)CC1 70038142 HNWRONCUWHEXAL-INIZCTEOSA-N 343.427 1.390 0 40 EDAB CO[C@H](C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 69374619 AKASXCXTFRBTTI-SJORKVTESA-N 345.443 1.315 0 40 EDAB COc1cc(NC(=O)[C@H](CCSC)NC(N)=O)cc(OC)c1 8328814 HKLCJSUKXGWJEY-LBPRGKRZSA-N 327.406 1.432 0 40 EDAB COCCCNC(=O)NC[C@@H](O)COc1cccc2ccccc12 69416757 SMZQTDIELSEEGW-OAHLLOKOSA-N 332.400 1.915 0 40 EDAB Cn1ccnc1CN1CCN(Cc2cnn(-c3ccccc3)n2)CC1 69483806 BDTDUEWRKXPKAZ-UHFFFAOYSA-N 337.431 1.319 0 40 EDAB Cc1cnn(CC(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)c1 69418269 WCKORGDKXPMYKV-UHFFFAOYSA-N 339.399 1.873 0 40 EDAB CCCCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230738 FZCRQSRFMQJCNV-UHFFFAOYSA-N 328.434 1.768 0 40 EDAB Cc1nnc2n1CCN(CCCS(=O)(=O)c1ccc(F)cc1)C2 69511100 ORHZVFQTRBDPOD-UHFFFAOYSA-N 338.408 1.405 0 40 EDAB CC(C)[C@@H](NC(=O)c1cn2cccnc2n1)c1nnc2ccccn12 69532403 NSVZFPJLURHAQC-CQSZACIVSA-N 335.371 1.899 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NO[C@@H]3CCCCO3)CC2=O)cc1 69619708 YFYIKXGIVGKFMC-WMLDXEAASA-N 348.399 1.618 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(C[C@H](O)CN3CCC(C)CC3)C2)n1 69697903 CWVSQYGHMQMEHV-RTBURBONSA-N 349.523 1.700 0 40 EDAB CCN1CCN(C2CCN(C[C@@H](O)COc3ccccc3)CC2)C1=O 69624663 DLTUWAFYBKEXRF-QGZVFWFLSA-N 347.459 1.648 0 40 EDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nncs1 8505462 DWMBGOAIROFZNF-LLVKDONJSA-N 337.426 1.531 0 40 EDAB O=c1[nH]c(NCCOCC2CC2)nc2c1cnn2-c1ccccc1 72302105 OUQFCGJIVZUXOY-UHFFFAOYSA-N 325.372 1.947 0 40 EDAB Cc1nc(C2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)no1 97019130 OMYHVDBAXKSHOE-INIZCTEOSA-N 326.400 1.799 0 40 EDAB COC(=O)c1cc(CN[C@H]2CCCN(c3cnn(C)c3)C2)oc1C 97034949 FETKGSZJYVXVKJ-ZDUSSCGKSA-N 332.404 1.867 0 40 EDAB NS(=O)(=O)c1cnn(-c2ccc(NC(=O)C3CCCCC3)cn2)c1 72292955 ZXODLRNLHHYTIQ-UHFFFAOYSA-N 349.416 1.434 0 40 EDAB COC(=O)[C@H](NC(=O)c1cnc(C)cn1)c1ccc(OC)c(OC)c1 72296911 XHGKAOKUEDGTLI-OAHLLOKOSA-N 345.355 1.446 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306133507 MNKBAVIZRWNESR-QWHCGFSZSA-N 336.363 1.254 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1 95994971 ZNRFUQPWFAVSSA-CYBMUJFWSA-N 338.408 1.827 0 40 EDAB Cc1ccc(CCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)(C)C)cc1 95970074 MPDHGGVNMQRDOM-MRXNPFEDSA-N 334.416 1.659 0 40 EDAB COc1ccc(-c2cnc(CN[C@H](CO)c3cnn(C)c3)o2)cc1 95941429 NMFSPVXZRWVXSO-OAHLLOKOSA-N 328.372 1.907 0 40 EDAB Cn1nc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1=O 9957885 WQSINTMAKMQRCU-UHFFFAOYSA-N 337.343 1.021 0 40 EDAB NC(=O)[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccccc1 75117505 VIXMWGRUCWVMGO-QGZVFWFLSA-N 347.374 1.998 0 40 EDAB Cc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)c(=O)[nH]1 75122132 DBUCTHYKWOOEMO-UHFFFAOYSA-N 341.411 1.446 0 40 EDAB CCN(C)[C@H](C(=O)N1CCC(N2CCNC2=O)CC1)c1ccccc1 89960833 QSEJVUMJCBGCFH-KRWDZBQOSA-N 344.459 1.696 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H]1CN1CCCCC1 75506321 CIDWRXABSNLLRT-GJZGRUSLSA-N 333.432 1.875 0 40 EDAB Cc1cc2c(cc1S(=O)(=O)NCCc1ccccc1)OCC(=O)N2 20491667 JHFMLXYXEFXFSH-UHFFFAOYSA-N 346.408 1.847 0 40 EDAB COC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 68968574 NADNSFMTOVNSAR-NXEZZACHSA-N 334.825 1.158 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 21698954 XQOAJJIWBTXKJD-BETUJISGSA-N 338.429 1.611 0 40 EDAB CCN1CCN(c2ccc(NC(=O)CN3CCC(O)CC3)cc2)CC1 32751477 HWOWLKXVKBASBR-UHFFFAOYSA-N 346.475 1.224 0 40 EDAB NC(=O)C[C@@H]1CCCN(C(=O)Nc2c[nH]nc2-c2nccs2)C1 556032458 YGCFHGATHURCTA-VIFPVBQESA-N 334.405 1.653 0 40 EDAB CCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 39986681 LDPZGIJPPNVTCA-UHFFFAOYSA-N 340.445 1.813 0 40 EDAB CN1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 306130283 JBGKKFDECJYLBY-HUUCEWRRSA-N 345.424 1.348 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](O)C(=O)OC(C)(C)C)cc1 3851710 YMHMOFFBDWZNNQ-DGCLKSJQSA-N 329.418 1.364 0 40 EDAB biogenic Cc1nn(C)c(C)c1CNC(=O)c1cccc(-n2nnnc2C)c1 72402283 SRQLHOIADXHBCZ-UHFFFAOYSA-N 325.376 1.251 0 40 EDAB C[C@H](CO)N1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 14531547 YZPFTJZYHBIBKR-CQSZACIVSA-N 331.416 1.296 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCNCC2)c(Br)c1 37463926 GDIMLKLDXWIBEG-UHFFFAOYSA-N 333.251 1.742 0 40 EDAB CN1CCN(c2cc(NC(=O)Cc3ccccc3F)ncn2)CC1 75166224 YTYLFKXTDBKIEN-UHFFFAOYSA-N 329.379 1.549 0 40 EDAB CCn1nccc1S(=O)(=O)NC[C@H](C(=O)O)c1ccc(F)cc1 563532301 KSJZEECTMNYVRA-LBPRGKRZSA-N 341.364 1.189 0 40 EDAB COC(=O)c1cn(CCNC(=O)Nc2cc(C)cc(OC)c2C)nn1 225483524 RWKLKENEUGONQO-UHFFFAOYSA-N 347.375 1.512 0 40 EDAB CCCc1occc1C(=O)NS(=O)(=O)c1c(C)nn(C)c1OC 225603430 VTKLLBNIKKJDKC-UHFFFAOYSA-N 341.389 1.401 0 40 EDAB O=C1CC[C@H](N=c2nc(C3CCCC3)[nH]s2)[C@@H]([C@H]2CCCO2)N1 572591706 OGIKIWVGFJDQPH-SCRDCRAPSA-N 336.461 1.856 0 40 EDAB Cc1ccoc1C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 225762292 GWZQNSRSXWDXCO-CQSZACIVSA-N 328.368 1.998 0 40 EDAB O=C(Nc1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCCC2)c1ccco1 223810800 DKTMEAOFFOLDSP-NSHDSACASA-N 349.412 1.967 0 40 EDAB Cn1ncnc1NC(=O)Cc1ccc(I)cc1 190974824 UWFURHYWIUQCBV-UHFFFAOYSA-N 342.140 1.601 0 40 EDAB CN(Cc1ccco1)[C@@H]1COC2(CCN(S(C)(=O)=O)CC2)C1 96048033 HIEMIZXASLYLJX-ZDUSSCGKSA-N 328.434 1.295 0 40 EDAB C[C@@]1(O)CCN(C(=O)Cc2cccc(I)c2)C1 95415599 VWMCLGYZOWUUGA-CYBMUJFWSA-N 345.180 1.817 0 40 EDAB CCCS(=O)(=O)N1CC[C@@]2(CN(CC3CC3)C[C@@H]2COC)C1 96217182 YHZJXNHJLWKUNR-HZPDHXFCSA-N 330.494 1.407 0 40 EDAB O=C(Cc1cccnc1)N1CCC2(CCN([C@H]3CCOC3)CC2)C1 96157523 MOZZMIGFVIOPCM-KRWDZBQOSA-N 329.444 1.728 0 40 EDAB CCOc1ccc(C(=O)Cn2nnc(C(=O)OC)c2C(=O)OC)cc1 98211161 ORERXSPKISKWSC-UHFFFAOYSA-N 347.327 1.133 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(c4ncc(F)cn4)C[C@@H]3C2=O)cs1 96245114 RITGAXLQVJPNDW-MFKMUULPSA-N 333.392 1.475 0 40 EDAB COC1CCC(C)(CNS(=O)(=O)c2cnn3c2OCCC3)CC1 579814253 TVPCKBXCHPWZLW-UHFFFAOYSA-N 343.449 1.539 0 40 EDAB CCc1nn(C)c2[nH]nc(NC(=O)[C@H](NC(C)=O)C3CCCC3)c12 96452843 NXLAPZDBFUUICV-CYBMUJFWSA-N 332.408 1.492 0 40 EDAB O=C(NCCc1ccc(Cl)cc1)C(=O)NCCc1ccccn1 339336139 NKPSJSBUFBCLMW-UHFFFAOYSA-N 331.803 1.753 0 40 EDAB O=C(c1nc2c(s1)CCN(Cc1ccoc1)CC2)N1CCOCC1 96187590 RDHDSPBWUIIZJM-UHFFFAOYSA-N 347.440 1.809 0 40 EDAB Cn1ccc(C(=O)N2CC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)n1 96205838 CWLUEVFZYLLASS-PXAZEXFGSA-N 346.362 1.407 0 40 EDAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cnccn1)CC2 96201583 KFYHVYMNUBYQTE-ZDUSSCGKSA-N 344.415 1.109 0 40 EDAB O=C(O)c1cn([C@@H]2CCN(c3ncccc3C(F)(F)F)C2)nn1 581938749 SATNYJZILJDEPQ-MRVPVSSYSA-N 327.266 1.842 0 40 EDAB CC(C)NC(=O)Cn1nc(Br)nc1Br 95094190 JCQHGHKONHXLQL-UHFFFAOYSA-N 325.992 1.328 0 40 EDAB O=C(NCCN1CCCC1)[C@@H]1C[C@H]2[C@H](CCN2Cc2cccnc2)O1 96186578 UTGGNRWBCUHFTA-BZSNNMDCSA-N 344.459 1.025 0 40 EDAB COCCCNC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 243076611 IOGHIJGDWLFXMJ-UHFFFAOYSA-N 334.416 1.700 0 40 EDAB Cc1ccc(CC(=O)N2CCS(=O)(=O)c3c2c(C)nn3C)cc1C 584908526 HZCVGXPJPDZDST-UHFFFAOYSA-N 347.440 1.708 0 40 EDAB O=C([C@@H]1CN(CC2CCCCC2)Cc2cncn21)N1CCOCC1 247853258 JLZNAVPBNKQAER-KRWDZBQOSA-N 332.448 1.679 0 40 EDAB CS(=O)(=O)CCN1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 585091432 CMPSHQHMSIRJGF-YRXWBPOGSA-N 348.512 1.873 0 40 EDAB COc1ccsc1S(=O)(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F 585080999 IABHDMBJZQSNLK-IUCAKERBSA-N 347.380 1.983 0 40 EDAB CC(C)(C)n1cnc(C(=O)Nc2ccc(F)c(S(N)(=O)=O)c2)n1 585129009 ULMPEAACFWHTPW-UHFFFAOYSA-N 341.368 1.072 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3ccc4cn[nH]c4n3)C2)c1 257301252 RXRGGOBNTVEXNK-LBPRGKRZSA-N 346.416 1.260 0 40 EDAB Cc1c(CCC(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cnn1C 257270976 MWJWFWUICMCBLJ-IAGOWNOFSA-N 329.400 1.312 0 40 EDAB O=C(c1noc2c1CCCC2)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257252105 JTONSZPPVVWLDY-KBPBESRZSA-N 330.388 1.588 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cncc(Cc2ccccc2F)c1 257297380 RGZJLDHLSUNBHT-OAHLLOKOSA-N 348.399 1.728 0 40 EDAB Cn1nc(N)c2ccc([C@H]3CCCN(C(=O)C4CCOCC4)C3)nc21 257225446 FGFSWZWTXMFSPT-ZDUSSCGKSA-N 343.431 1.683 0 40 EDAB CN1CCN(C[C@]2(O)CCN(C(=O)C3CCC(F)(F)CC3)C2)CC1 257303769 SIQCBNVKAJQIGN-MRXNPFEDSA-N 345.434 1.023 0 40 EDAB CCN1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1c(C)cccc1F 252493688 NFFSGEGPJPJJEY-LSDHHAIUSA-N 342.436 1.618 0 40 EDAB CC(=O)N1CCN(C(=O)C2CCN(C)CC2)C[C@@H]1c1ccccc1 257254989 KFQXNCYFVHMGCR-GOSISDBHSA-N 329.444 1.760 0 40 EDAB O=C(CN1CCN(C[C@H](O)c2cccs2)CC1)NC1CCCC1 85436936 RQAXLVAVRSIGMK-HNNXBMFYSA-N 337.489 1.458 0 40 EDAB CC(C)c1nnc(CCC(=O)N2CCO[C@@H](c3cnccn3)C2)o1 257339388 ZBMFQRPMZOHYOK-CYBMUJFWSA-N 331.376 1.516 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CC[C@](OC)(C(=O)O)C2)cc1C 530148864 ATPHLKGURXCXIZ-OAHLLOKOSA-N 343.401 1.176 0 40 EDAB CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)NCC(F)(F)F)c1 284212643 DZNBHUSWKZPCMM-UHFFFAOYSA-N 343.302 1.760 0 40 EDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnn2c1OCCC2 90627142 NGJGXXXXRCBNDJ-CQSZACIVSA-N 329.356 1.180 0 40 EDAB O=C(c1ccc(O)nn1)N1CCC[C@@H]1c1nnc2n1CCCCC2 1616016447 KDJURXCLAUVNDM-GFCCVEGCSA-N 328.376 1.477 0 40 EDAB CCc1nc(CNS(=O)(=O)c2cncc(C(=O)O)c2)cs1 569689463 KNDUDUDGFCGWMR-UHFFFAOYSA-N 327.387 1.277 0 40 EDAB CCCCS(=O)(=O)Nc1ccc(NC(=O)N2CC[C@@H](O)C2)cc1 390833386 GTUOVOMPRGQCRR-CQSZACIVSA-N 341.433 1.827 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@](O)(c1ccoc1)c1ccco1 390826222 FSZNUZAOTJULTQ-INIZCTEOSA-N 331.328 1.281 0 40 EDAB COc1nc(CNC(=O)[C@H](C)Oc2ccccc2F)nc(N(C)C)n1 575603912 MQBRXLWYNQCPTH-JTQLQIEISA-N 349.366 1.169 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCCN(CC(=O)N3CCOCC3)C2)c1 585271553 HHQCBQCOZPKHJX-LJQANCHMSA-N 348.443 1.060 0 40 EDAB CCc1n[nH]cc1C(=O)N1CCO[C@](CO)(Cc2ccccc2F)C1 585277650 OBZHVVOLWOXOLO-GOSISDBHSA-N 347.390 1.557 0 40 EDAB O=C1CCCN1C[C@@H]1CCn2nccc2CN1C(=O)C1=CCCC1 585097147 HTSMJESSLASQJL-HNNXBMFYSA-N 328.416 1.717 0 40 EDAB O=C(NC[C@H]1CN(Cc2ccccn2)Cc2ccnn21)N1CCCC1 585113044 XVETXBHGCXCZJH-KRWDZBQOSA-N 340.431 1.640 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1ccc2ccccc2n1 585288025 NHMAZRSOUVZOLX-ZACQAIPSSA-N 330.384 1.736 0 40 EDAB C[C@H](CC(=O)NCCn1nc2ccccn2c1=O)c1ccc(F)cc1 57240989 JQPKNJIFNBNEOO-CYBMUJFWSA-N 342.374 1.945 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)c3cnns3)CC2)cc1F 55560130 QNVAYGSFHOFQJF-UHFFFAOYSA-N 334.376 1.584 0 40 EDAB Cc1ccn2ncc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)c2n1 75672912 VFCJUYQEUGHVCI-ZDUSSCGKSA-N 326.360 1.666 0 40 EDAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2ccccc21 96375472 QUSZWPOTPOZNRY-PBWFPOADSA-N 347.440 1.603 0 40 EDAB NC(=O)[C@@H]1CCO[C@H]1C1CCN(c2nccc(C(F)(F)F)n2)CC1 1548369900 KRASWMGLIJXHCV-PWSUYJOCSA-N 344.337 1.602 0 40 EDAB C[C@@H]1CCN2c3ccccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 5274403 NLQQMDQOQNSEGR-DOMZBBRYSA-N 341.411 1.884 0 40 EDAB CCCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1ccccn1 12667646 QTVVUMHNKKEIIW-CQSZACIVSA-N 344.440 1.944 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3ccc(F)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526733 SVWWHCGTDZGGBX-NEULZYRMSA-N 334.347 1.023 0 40 EDAB COCCC(=O)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 19593149 SGNPQNNPDIIIAF-AWEZNQCLSA-N 328.372 1.532 0 40 EDAB O=C(NC1CCCC1)[C@@H]1CCN(C(=O)CN2CCCCCC2=O)C1 19747751 XHQOYTXZBIZNJN-CQSZACIVSA-N 335.448 1.296 0 40 EDAB CN(C)C(=O)CC1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1 19748443 OFUHJKBINLOXLJ-UHFFFAOYSA-N 328.416 1.904 0 40 EDAB CN(C)C(=O)c1cccc(CCNC(=O)c2cnn3c2OCCC3)c1 520851144 WQPLMYSLHSNXIE-UHFFFAOYSA-N 342.399 1.340 0 40 EDAB CC(=O)NC1=NC(=O)/C(=C/c2coc3ccc(Cl)cc3c2=O)N1C 5383075 AOXSOGPJKTYXIP-XGICHPGQSA-N 345.742 1.751 0 40 EDAB Cc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c(O)c1 9479143 SGKVZKNXLLSUQE-UHFFFAOYSA-N 328.324 1.798 0 40 EDAB CCc1ncnc(N2CCN(c3nc(O)cc(C4CC4)n3)CC2)c1F 1888857042 VJYWOFCYGZUYHK-UHFFFAOYSA-N 344.394 1.878 0 40 EDAB O=C(c1cccc(F)c1)N1CCN(c2cnnc(O)c2Cl)CC1 26715176 FVHQQPFCVNBHJT-UHFFFAOYSA-N 336.754 1.937 0 40 EDAB Cc1cn(C)nc1C(=O)N1CC[C@H](N(C)c2cncc(Cl)n2)C1 1056914160 URIMIEHRBIHGPI-NSHDSACASA-N 334.811 1.523 0 40 EDAB Cc1ccc(OCC2CCN(S(=O)(=O)CC(C)C)CC2)nn1 1775996080 TZNOFAMFILXYQD-UHFFFAOYSA-N 327.450 1.862 0 40 EDAB Cc1noc([C@@H]2CN(S(=O)(=O)N(C)C)C[C@@H]2c2ccccc2)n1 238861970 KWGQJWJCXQLWPJ-ZIAGYGMSSA-N 336.417 1.367 0 40 EDAB COc1cc(C)n(CCNC(=O)c2cnc3ccccc3n2)c(=O)c1 238957675 YDCRNFZZDFMHQR-UHFFFAOYSA-N 338.367 1.539 0 40 EDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)CCc3ccc[nH]3)CC[C@H]21 1565549841 GCMPSACBOIFMNM-QZTJIDSGSA-N 348.491 1.201 0 40 EDAB O=C(N1Cc2nccn2C[C@H](CN2CCOCC2)C1)C1(F)CCC1 1565542362 UPNRNBWEUAFBDM-AWEZNQCLSA-N 336.411 1.066 0 40 EDAB O=C(c1ccsc1)N1CCO[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 1565541574 RRPHJYQQORDPMD-QAPCUYQASA-N 342.420 1.873 0 40 EDAB Cc1nnc(SCC(=O)Nc2nc3ccccc3s2)n(N)c1=O 4337975 HVKDZMXSOQTRLX-UHFFFAOYSA-N 348.413 1.001 0 40 EDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)c2cc[nH]n2)cn1 2055729774 JSBHNTDVOFOLDC-JKSUJKDBSA-N 329.404 1.396 0 40 EDAB COc1nc(CNC(=O)c2cc(-c3ccco3)on2)nc(OC)n1 575605394 ADKPXXIZLKGDFT-UHFFFAOYSA-N 331.288 1.067 0 40 EDAB COc1ccc(CC(=O)N2CC[C@H](Oc3ccncn3)C2)cc1OC 575610210 FAIUKBADBDNJCM-AWEZNQCLSA-N 343.383 1.716 0 40 EDAB O=C1C[C@@H](CN2C(=O)NC3(CCCC3)C2=O)CN1Cc1ccccc1 348934645 ABAZIGJSZPTWII-OAHLLOKOSA-N 341.411 1.900 0 40 EDAB CCOc1ncccc1C(=O)NC[C@@H](O)c1cc(OC)ccc1OC 31338769 XLXPWXSTSUCOMK-OAHLLOKOSA-N 346.383 1.961 0 40 EDAB O=C(CN1CCC(O)CC1)Nc1ccnn1Cc1cccc(Cl)c1 40477536 JULGPLGTDSZLSE-UHFFFAOYSA-N 348.834 1.980 0 40 EDAB Cc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 382484 FANGACRVJXFGFK-UHFFFAOYSA-N 330.365 1.778 0 40 EDAB CCC(CC)c1nnc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)s1 32784220 GGJZCGUJMSLJEC-SNVBAGLBSA-N 346.478 1.804 0 40 EDAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)NC[C@@H]1CCCO1 51843 XJZRLMWYJDFCTE-JTQLQIEISA-N 343.412 1.893 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1ccccc1 11999369 KVHPOCPXRBBPDI-OAHLLOKOSA-N 348.424 1.997 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)N(C)Cc1ccc2c(c1)OCO2 46486331 QVSXCDAYRNVVMX-CYBMUJFWSA-N 335.404 1.277 0 40 EDAB Cc1nc(CN(C)[C@@H]2CCN(CC(=O)NCc3cccs3)C2)no1 76047374 NBPTXHZTIKUUHP-CYBMUJFWSA-N 349.460 1.262 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NC(=O)NCCC(C)C)cc1 1727004 KEWFGZIVHPGASN-UHFFFAOYSA-N 327.406 1.679 0 40 EDAB NC(=O)NCCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F 78798732 MHHQEPHCHDRLHU-UHFFFAOYSA-N 329.275 1.199 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cc(OC)ccn3)CCO2)n1 78889762 UOQVGKYVUMGQFX-CYBMUJFWSA-N 331.376 1.375 0 40 EDAB CCN(CC)C(=O)[C@H](C)N(C#N)c1nc(Cl)nc(N(C)C)n1 3066336 CQBGETICMZFUPO-VIFPVBQESA-N 325.804 1.135 0 40 EDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 4977505 GZJXQUIAUKSDDS-RQJABVFESA-N 331.324 1.456 0 40 EDAB O=C(COC(=O)c1cccnc1)Nc1ccccc1N1CCOCC1 6548377 KVNUUCJWMDZGIT-UHFFFAOYSA-N 341.367 1.714 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)c2cccc(OCC)c2)n1 6593899 PPIWYUXPVZPHIK-UHFFFAOYSA-N 334.405 1.609 0 40 EDAB O=C(CS[C@H]1CCS(=O)(=O)C1)NCC1(c2ccccc2)CC1 42008496 NDKKBNLZTWJZII-AWEZNQCLSA-N 339.482 1.755 0 40 EDAB Nc1nc(CN2CCN(CCc3ccccn3)CC2)nc2ccccc12 22813372 YXKCXTACLZMSPN-UHFFFAOYSA-N 348.454 1.967 0 40 EDAB CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1c(C)nn(C)c1C)CC2 69876668 VKGXBKQSLKUTKK-DGCLKSJQSA-N 345.451 1.122 0 40 EDAB C[C@H]1CN(Cc2nnnn2C2CC2)CCN1C[C@H](O)c1ccccc1 69840544 GITMWPVYQOSZFT-YOEHRIQHSA-N 342.447 1.248 0 40 EDAB COCCN1CCN(CC(=O)NCc2ccccc2Cl)CC1 69840455 IAGHUCIIOWKHMN-UHFFFAOYSA-N 325.840 1.220 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)cc1 24689703 ORYAIGZIDMNRSC-AWEZNQCLSA-N 344.864 1.813 0 40 EDAB CCc1ccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)o1 25099537 AZSXYNJCLSCRDX-UHFFFAOYSA-N 343.431 1.574 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cc1 34916692 JBLCDRBCYORZSA-IJEWVQPXSA-N 346.427 1.680 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3cnc(C)cn3)CC2)cs1 56463274 XCXKCBLGENSHPR-UHFFFAOYSA-N 331.445 1.762 0 40 EDAB Cn1cnc2c1c(=O)n(Cc1nc3ccccc3s1)c(=O)n2C 12547570 BNWQCROVLLXVNE-UHFFFAOYSA-N 327.369 1.092 0 40 EDAB O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCC[C@H]1CO 108376385 WPKHODSPSHFHCP-NILFDRSVSA-N 326.343 1.961 0 40 EDAB CC(C)(CNc1c(NCc2ccco2)c(=O)c1=O)N1CCOCC1 101694336 MVSYBXYDGYHOLE-UHFFFAOYSA-N 333.388 1.010 0 40 EDAB Cc1ccc(OCC(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 58201113 XSBMUWQMVKXPPX-UHFFFAOYSA-N 328.372 1.488 0 40 EDAB O=C(COC(=O)[C@H]1CCC(=O)N1)Nc1ccc(Cl)cc1Cl 3246333 AZKGKVRTHXIQDU-SNVBAGLBSA-N 331.155 1.754 0 40 EDAB Cc1csc(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)n1 44967468 SOFZPZHGNCGJPG-GFCCVEGCSA-N 332.433 1.710 0 40 EDAB COc1ccc(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cn1 44971825 CNHBPYGYEIAINE-CYBMUJFWSA-N 328.376 1.671 0 40 EDAB C[C@@H](O)CNC(=O)C1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 44950989 RQZKJWCXPZECBA-VXGBXAGGSA-N 338.452 1.637 0 40 EDAB CCOC(=O)N[C@@H](C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)C(C)C 58386019 DYLXJQOYRNDTKI-IINYFYTJSA-N 348.403 1.804 0 40 EDAB CN1CCO[C@H](CNC(=O)/C=C/c2ccccc2OC(F)F)C1 58393630 GAQLNJMUTMRIJS-KTRBRXNASA-N 326.343 1.748 0 40 EDAB COc1ccc(C(=O)NCc2cccnc2N2CCN(C)CC2)cc1 58343454 IAEAPQUULFQYSX-UHFFFAOYSA-N 340.427 1.772 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)C1 28037108 LIDFPNURBWDTLS-OAHLLOKOSA-N 348.472 1.998 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16CCOCC[C@@]56[C@H]2[C@H]43 104287758 FXYDLYZRFOYFEA-OFUAFVKMSA-N 349.390 1.199 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCO2 24688451 MXAYRVXMXFZPGK-AWEZNQCLSA-N 338.429 1.165 0 40 EDAB CCOc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)NC)CC1 72311943 SKVYAAFIUSWVGV-ZDUSSCGKSA-N 334.420 1.369 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)Nc3cccc4c3CCCC4)cnc21 11430030 HUOXIPXCUFJGML-UHFFFAOYSA-N 337.383 1.648 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(F)cc2)cc1 29297016 BTDNLYSEJROXAK-UHFFFAOYSA-N 338.360 1.282 0 40 EDAB NC(=O)[C@@H]1C[C@H](O)CN1C(=S)Nc1ccc(Cl)cc1Cl 3414888 DKZJOQMGJJNNLE-XVKPBYJWSA-N 334.228 1.611 0 40 EDAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CCC(CO)CC1 48485267 HJZNLFPOIBHPQZ-UHFFFAOYSA-N 347.415 1.395 0 40 EDAB COc1ccc(-c2nnc(S)n2CC(=O)Nc2nncs2)cc1 12981432 LYFACXDIUOQCMO-UHFFFAOYSA-N 348.413 1.733 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1 13071905 IZCRPZHRLOEOOK-UHFFFAOYSA-N 349.364 1.635 0 40 EDAB COc1ccc([C@H](NC(=O)CSc2nnnn2C)C(C)C)cc1 13004943 UCVFPOYYBRVOKQ-CQSZACIVSA-N 335.433 1.824 0 40 EDAB NC(=O)C1CCN(CCCNCc2cnn(-c3ccccc3)c2)CC1 71852311 TULGDVBFWHSXOJ-UHFFFAOYSA-N 341.459 1.549 0 40 EDAB O=C(c1cn(Cc2ccccc2)nn1)N1CCN2CCCC[C@H]2C1 71839875 RJJDMBQXRINKMF-INIZCTEOSA-N 325.416 1.637 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cnn(-c2ccccc2)c1 71832842 NNXARJBIKQSHKG-OLZOCXBDSA-N 348.428 1.147 0 40 EDAB O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)NC[C@@H]2CCCO2)c2ccccc21 4046735 LPVUBEMQVNVTLG-PZSREKOKSA-N 344.367 1.142 0 40 EDAB biogenic Cc1ccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)cc1 5000071 CEKIJXNUBKLDFM-UHFFFAOYSA-N 337.379 1.325 0 40 EDAB COC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 5054229 PJGOUOSPWNQNOQ-INIZCTEOSA-N 344.327 1.222 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)c1 71186523 XWGYPOGGXSVRRC-INIZCTEOSA-N 332.404 1.144 0 40 EDAB CS(=O)(=O)c1ccc(N2C=NS(=O)(=O)c3cccnc32)cc1 65255417 XQPRPFUDDQCELC-UHFFFAOYSA-N 337.382 1.354 0 40 EDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1nn(C)c(=O)c2ccccc12 6277936 JEPZVDGQAYWGNX-UHFFFAOYSA-N 344.415 1.310 0 40 EDAB CCc1nnsc1C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 65393050 BCXPWRCWNWAFIK-MRVPVSSYSA-N 332.385 1.922 0 40 EDAB C[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccncc1 5226903 ZEUBUPFVVPXHET-NSHDSACASA-N 327.340 1.418 0 40 EDAB Cc1ccccc1OC[C@@H](O)CN1CCc2ncnc(N(C)C)c2C1 65537523 VHPDIZANTBYEJT-HNNXBMFYSA-N 342.443 1.649 0 40 EDAB CN(C)[C@H]1CCCN(C(=O)NC[C@H]2CC(=O)Nc3ccccc32)C1 83847925 YXMXDGNFZFMMSH-KGLIPLIRSA-N 330.432 1.848 0 40 EDAB c1ccc2c(CN3CCN(c4ccc5nnnn5n4)CC3)cccc2c1 14139069 QXAOEIWKOAFNEF-UHFFFAOYSA-N 345.410 1.995 0 40 EDAB CCN(C(=O)COc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 4504967 FSEZLRIQIYFVIM-AWEZNQCLSA-N 325.430 1.718 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 5568734 INFPNVFGVSUYMK-UHFFFAOYSA-N 328.368 1.949 0 40 EDAB COc1ccc([C@@H](CN2CCN(C)CC2)Nc2ncccn2)cc1 67448049 QQMZXBJKQDWGRG-QGZVFWFLSA-N 327.432 1.886 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 68234861 LNANFZSDOYCRPT-SNVBAGLBSA-N 342.446 1.831 0 40 EDAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCCN1CCN(C)CC1 68467470 QCUWIQPBPDYVCG-GFCCVEGCSA-N 327.375 1.096 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1cccs1)C2=O 7823725 FBRMGIWADWUTTD-SJCJKPOMSA-N 349.456 1.908 0 40 EDAB CC(C)NC(=O)CN(C)CC(=O)Nc1ccc(OC(F)F)cc1 7923353 HOZDRMCQUUGMAU-UHFFFAOYSA-N 329.347 1.683 0 40 EDAB Cc1cc(C)n(C[C@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)n1 69370438 SNCHDRILXWRKPN-SJORKVTESA-N 346.406 1.566 0 40 EDAB CCn1ncc(C(=O)N2CCn3c(C)nnc3C2)c1C(F)(F)F 69483802 GMIDVRZKFPCDMG-UHFFFAOYSA-N 328.298 1.478 0 40 EDAB NS(=O)(=O)CCNC(=O)c1cc(CCc2ccccc2)ccc1O 69451310 JGQNVPKYKIOIAT-UHFFFAOYSA-N 348.424 1.196 0 40 EDAB COCCNC(=O)CCNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 69444056 VTJGZFOTVFWZNT-QGZVFWFLSA-N 347.459 1.168 0 40 EDAB O=C1CCCCN1Cc1cccc(NS(=O)(=O)c2cn[nH]c2)c1 69416358 IWNBLISNTSWVPN-UHFFFAOYSA-N 334.401 1.723 0 40 EDAB COc1ccc(CCNC(=O)CN2CCC[C@H]2c2cnn(C)c2)cc1 71797339 IBJRKVJDWXQXAT-SFHVURJKSA-N 342.443 1.925 0 40 EDAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnnn1C1CCOCC1 69594852 MWMRQQBWTDKBON-RYUDHWBXSA-N 339.465 1.906 0 40 EDAB CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(CC(F)F)CC1 69509175 MFLXNXRXMURUJX-NWDGAFQWSA-N 349.447 1.343 0 40 EDAB Cc1cc(C)n(C2CN([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)n1 69571669 PGKJLWVLHOOXHP-AWEZNQCLSA-N 330.436 1.734 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](Cc2ccccc2)C1 96437715 VKMVJMHVKCRTMQ-JKSUJKDBSA-N 336.457 1.695 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cncn1)N1CCc2sccc2C1 69617779 KIYYWONIBDNGHD-AWEZNQCLSA-N 331.445 1.389 0 40 EDAB CC(=O)Nc1cccc(OCCNC(=O)NCc2cc(C)on2)c1 69619424 NIFDSUGWVAUVHF-UHFFFAOYSA-N 332.360 1.820 0 40 EDAB Cc1cc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)nc(N)n1 69618794 HWQDBGIWKIOGSE-UHFFFAOYSA-N 339.325 1.503 0 40 EDAB CCOCCN1CCN([C@@H](C(=O)NC(C)C)c2ccccc2)CC1 69627102 KZFXWPONZWVRBD-GOSISDBHSA-N 333.476 1.906 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N(C)C[C@H](O)COCc2ccccc2)no1 69654408 KAWVVQUBRLFXAY-ZBFHGGJFSA-N 347.415 1.820 0 40 EDAB CN1CCN(Cc2cccc(NC(=O)c3nccnc3N)c2)CC1 69631699 SBMTUYALCQUBQH-UHFFFAOYSA-N 326.404 1.059 0 40 EDAB Cn1cnc(C(=O)N2CC3(C2)OCC[C@H]3CCOc2cccnc2)c1 306136451 PTZFYMZNULFEOC-CQSZACIVSA-N 342.399 1.515 0 40 EDAB COC(=O)c1c(C)nn(CC(=O)NCc2ccccc2OC)c1C 69709528 RHCSEDMAGFJWGJ-UHFFFAOYSA-N 331.372 1.612 0 40 EDAB COC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(C)c(F)c2)CC1 69776124 MCNXAWJDYFRCFN-UHFFFAOYSA-N 337.351 1.373 0 40 EDAB CCCOc1ccc(CNS(=O)(=O)c2c(C)nn(C)c2C)cn1 69704941 KNNGZLWTGVLXDZ-UHFFFAOYSA-N 338.433 1.699 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nccs1 9532125 HPDHMCJLZRZQEU-QMMMGPOBSA-N 329.378 1.588 0 40 EDAB O=C(COC(=O)c1ccccc1-n1cnnn1)c1ccccc1F 9840661 DAKLGORWNKLPER-UHFFFAOYSA-N 326.287 1.841 0 40 EDAB C[C@@H]1CN(CCCc2ccccc2Br)C[C@H](C(N)=O)O1 97086052 IZAMXQQDZAJEQG-BXUZGUMPSA-N 341.249 1.956 0 40 EDAB O=C(CN1C(=O)CCCc2ccccc21)N[C@@H]1CCc2nccn2C1 72284569 NJPZKJDOTUIAKI-OAHLLOKOSA-N 338.411 1.684 0 40 EDAB CC(C)c1nc([C@H]2CCCN(C(=O)Cn3ccccc3=O)C2)no1 72232350 POCJLFCOOQIURU-ZDUSSCGKSA-N 330.388 1.761 0 40 EDAB Cc1nc(N2CCCN(S(C)(=O)=O)CC2)c2c(C)csc2n1 97377606 LQDUSZMOWPEAFP-UHFFFAOYSA-N 340.474 1.780 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]1c1cccn1C 72832183 CUWNLYVFEAZGEH-AWEZNQCLSA-N 327.450 1.360 0 40 EDAB CCSCC[C@H](C)N(C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 72901060 ZINYXDVUZJVLIW-GJZGRUSLSA-N 343.537 1.967 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)NCCC[S@](C)=O)n1 84793519 FVIMDKSMUMHMFA-OAQYLSRUSA-N 333.435 1.139 0 40 EDAB O=c1c2ccccc2ncn1CC[S@@](=O)Cc1nc(C2CC2)no1 95419051 OOMRFOCALKYJQV-DEOSSOPVSA-N 344.396 1.606 0 40 EDAB Cn1cc(N2CCC[C@H](Nc3ccc4c(c3)NC(=O)CC4)C2=O)cn1 98014373 KQKSEERGORTKQJ-HNNXBMFYSA-N 339.399 1.912 0 40 EDAB CCN(CC)C(=O)C1(NC(=O)[C@@H]2CN(C)CCO2)CCCCC1 95961724 HPJPBKQXCDMSOF-AWEZNQCLSA-N 325.453 1.005 0 40 EDAB COc1cccc(NC(=O)NC2CCC(C(=O)NC(N)=O)CC2)c1 89470242 AQVOALSEFSPNSP-UHFFFAOYSA-N 334.376 1.570 0 40 EDAB Cc1csc(CCCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)n1 89705499 KKXBSTZBCZIMRH-CHWSQXEVSA-N 336.461 1.837 0 40 EDAB CNS(=O)(=O)CCCN1CCC[C@H]1Cc1ccccc1OC 75610317 VTUIMVNSFPNOEM-HNNXBMFYSA-N 326.462 1.641 0 40 EDAB COc1ccc(-c2cc(C(=O)N3CCN(CCO)CC3)no2)c(F)c1 75604918 GXTWTMDRGCEEMJ-UHFFFAOYSA-N 349.362 1.239 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 409300807 AEYNELLGWNZLRT-YYAJDYIMSA-N 341.363 1.680 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)C1CCOCC1 517733012 VSDJGGIRBMVTAK-CYBMUJFWSA-N 347.820 1.746 0 40 EDAB CCc1c(C(=O)N2CCO[C@@H](CC)C2)cnn1-c1ccc(OC)nn1 30849237 GBFCXDITCZOLKI-LBPRGKRZSA-N 345.403 1.484 0 40 EDAB COc1ccc(-c2ccno2)cc1S(=O)(=O)N1CCCNCC1 534656028 VMUARVIKGREMQU-UHFFFAOYSA-N 337.401 1.334 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Cl)cc1 218514482 SIPVHLNMZGRCOT-KCQAQPDRSA-N 345.848 1.749 0 40 EDAB COCCNC(=O)CNC[C@@H](c1ccc(OC)cc1)N1CCCC1 39620376 VRUZABIWYHUPGW-KRWDZBQOSA-N 335.448 1.184 0 40 EDAB Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)n1C 78909621 RSLUVKKGKUEVKE-LBPRGKRZSA-N 335.429 1.814 0 40 EDAB COc1ncccc1CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 78988625 PVADBZMNRLKMLY-JTQLQIEISA-N 346.309 1.053 0 40 EDAB CCc1cccc(S(=O)(=O)NC[C@H](C(=O)O)C2CCOCC2)c1 520398181 UPGTUUJSBTUZBN-HNNXBMFYSA-N 341.429 1.655 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1nccn1C 75486068 HGHYIKVNLIIMLM-OAHLLOKOSA-N 327.432 1.361 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1ccc(OC(F)(F)F)cc1 36708410 YMNODBJMTFSADE-UHFFFAOYSA-N 343.261 1.451 0 40 EDAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccn2C)C3)CC1 72335637 WXJYXLIJZHZXFI-UHFFFAOYSA-N 341.459 1.903 0 40 EDAB CCCC(=CC(=O)N1CCS(=O)(=O)C[C@@H](C(=O)OC)C1)CCC 521396334 NLMZSHLQESUUSY-AWEZNQCLSA-N 345.461 1.559 0 40 EDAB CC1CCN([C@H](CNC(=O)Cn2cnnn2)c2cccs2)CC1 61499288 FDTVAXIYZBVZHW-CYBMUJFWSA-N 334.449 1.324 0 40 EDAB Cc1ccc(NCCCNC(=O)[C@@H]2CCCN2c2ncccn2)nc1 85383650 MJWZTZUQOLHCQZ-HNNXBMFYSA-N 340.431 1.767 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2nccs2)cc1OC 225581773 OCMLPELIRLHVGL-UHFFFAOYSA-N 342.398 1.417 0 40 EDAB C[C@H]1CN(c2ccnc(C(=O)N3CCN4CCC3CC4)c2)C[C@H](C)O1 192627070 AQMIEVPVHRVCDL-GJZGRUSLSA-N 344.459 1.615 0 40 EDAB Cc1nc2c([nH]1)CC[C@H](C(=O)N1CCC(Oc3ncccn3)CC1)C2 225521467 XKIIIURSRJBHQV-ZDUSSCGKSA-N 341.415 1.683 0 40 EDAB O=C(NCCSc1ncn[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 225901249 IXSDWDBVPBXLIS-OAHLLOKOSA-N 345.472 1.925 0 40 EDAB Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cccn2C)n(C)n1 130906246 HVISUPVCLKRTRH-CQSZACIVSA-N 329.404 1.759 0 40 EDAB O=C(CN1C(=O)CC2(CCCC2)C1=O)N[C@@H](CO)c1ccccc1 575443311 KILLIUADFZAYRF-AWEZNQCLSA-N 330.384 1.156 0 40 EDAB O=C(c1ccncc1)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 96202327 BVVLCNMOOJRKPC-SFHVURJKSA-N 339.399 1.241 0 40 EDAB CC(C)(C)CC(=O)N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O 514289034 OLXSMEUDIBFLTF-SGMGOOAPSA-N 334.407 1.398 0 40 EDAB biogenic,in-vitro COc1cc(N2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN2CCCC2)ncn1 96065790 IXTLRCCUXVJGCC-HDMKZQKVSA-N 348.447 1.334 0 40 EDAB CC(=O)Nc1ccccc1CN1CCN([C@@H](C)C(=O)NC(C)C)CC1 96490023 OBGLDTYIFLZPKO-HNNXBMFYSA-N 346.475 1.676 0 40 EDAB Cc1cc(C)n(-c2ccc(N3CC[C@@H](c4nc(C)no4)C3)nn2)n1 333673821 JMFACPQZYLQRGH-CYBMUJFWSA-N 325.376 1.964 0 40 EDAB O=C(NCC(=O)N1CCOCC12CCCC2)c1cc(F)cc(F)c1 97095734 SGQOPPWNSZWRQG-UHFFFAOYSA-N 338.354 1.866 0 40 EDAB Cn1ccnc1CN1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96202244 IIEGGLVBABHVBF-SFHVURJKSA-N 327.432 1.544 0 40 EDAB CCN1CCn2c(C)cnc2C12CCN(S(=O)(=O)C1CC1)CC2 96037068 JPDNLRVFJSIQER-UHFFFAOYSA-N 338.477 1.310 0 40 EDAB Cc1cc(CNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)no1 96425070 DKHGDHZTFQDIAX-MRXNPFEDSA-N 333.363 1.812 0 40 EDAB Cn1ccnc1CN1CCN2C[C@H](OCc3ccccc3)C[C@H]2C1 96183426 ATLXGAVPVVHQNV-ZWKOTPCHSA-N 326.444 1.895 0 40 EDAB CC(C)C[C@@H]1COCCN1C(=O)NC[C@H](c1cnn(C)c1)N(C)C 96410723 DLMCNSAZAHISCB-HZPDHXFCSA-N 337.468 1.479 0 40 EDAB Cc1nnc(N2CCC[C@]3(CN(C(=O)c4ccc[nH]4)CCO3)C2)o1 96226664 SYSNBXSZSLBPBW-INIZCTEOSA-N 331.376 1.218 0 40 EDAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1ccco1)C2 96056947 URLQMFVWMVMKQN-WMZOPIPTSA-N 336.432 1.756 0 40 EDAB C[C@@H](CNC(=O)[C@H]1ON=C(c2ccc(F)cc2)[C@H]1C)n1cncn1 247984557 YRWTYVLKJWIIKV-RWSFTLGLSA-N 331.351 1.534 0 40 EDAB COCC(=O)N1CCC(c2cc(-c3cc(C)n[nH]3)nc(C)n2)CC1 257236257 HBJFZSCRQXAFEI-UHFFFAOYSA-N 329.404 1.836 0 40 EDAB CC[C@H](Sc1ccccc1)C(=O)NCC(=O)Nc1ccn(C)n1 585079639 CZRKTMLHBBYAHX-ZDUSSCGKSA-N 332.429 2.046 0 40 EDAB COc1ccc(CN2CCN(C)C[C@H](C(=O)N(C)C)C2)c(OC)c1 257325044 WRFCAPGVSLFJFU-HNNXBMFYSA-N 335.448 1.156 0 40 EDAB CCN(Cc1ccncc1)[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1O 257332058 XVNVNMCJRJBHHF-QZTJIDSGSA-N 340.427 1.113 0 40 EDAB CN(C)c1ccc(N2CCC(C)(C(=O)N3CCOCC3)CC2)nn1 257283360 OXYPPWIYTPZXPT-UHFFFAOYSA-N 333.436 1.008 0 40 EDAB C=CC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 585140535 GWMNPLILYWBDIX-CYBMUJFWSA-N 335.408 1.652 0 40 EDAB COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1cc(C)c(C)s1 252510120 ZBUYRCVEPDFARQ-WCBMZHEXSA-N 333.431 1.622 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)c2ccsc2)C1 257293422 QPKADLGKKPLJFI-SNVBAGLBSA-N 339.442 1.895 0 40 EDAB CNc1cc(CC[C@H]2CN(CC(=O)N3CCCCC3)CCO2)ccn1 257259343 KXWIUVRCPNBYPW-KRWDZBQOSA-N 346.475 1.769 0 40 EDAB O=C1CCCCCN1CC(=O)N1CCOC[C@@H]1CCc1cnccn1 257243111 IFNLBRVJEFMDOI-INIZCTEOSA-N 346.431 1.039 0 40 EDAB O[C@@H]1[C@H]2C[C@@H]3[C@@H]4[C@@H]2C[C@H]([C@@H]4O)N(c2nc(C(F)(F)F)cs2)[C@H]13 606445137 XAOIMKHXOZLAGE-QHHJDEKSSA-N 332.347 1.727 0 40 EDAB CC(C)(C)c1nc(C(=O)N[C@H](C(=O)O)[C@@H](O)c2ccncc2)cs1 1615003198 HBFNCTXUBSRFCS-RYUDHWBXSA-N 349.412 1.752 0 40 EDAB COC(=O)c1c(OC)nsc1CN1CC[C@H](c2cnn(C)c2)C1 1615001635 YFOQKJKBKDAVHT-JTQLQIEISA-N 336.417 1.661 0 40 EDAB C[C@H]1OC2(CCN(C(=O)CCc3ncc(C(C)(C)C)o3)CC2)NC1=O 1615592476 UICQFEPQIFASPT-GFCCVEGCSA-N 349.431 1.758 0 40 EDAB COC(=O)c1cc(S(=O)(=O)NCCCc2cccnc2)cnc1C 1615585376 DBDZXYQVTYXRAA-UHFFFAOYSA-N 349.412 1.483 0 40 EDAB C[C@H](CCO)CN[C@H]1CCO[C@@]12CCN(C(=O)OC(C)(C)C)C2 1616036522 XCZKFIFGLCUVGO-JKIFEVAISA-N 328.453 1.763 0 40 EDAB CCn1cc(S(=O)(=O)NCCn2cc(-c3ccccc3)nn2)cn1 1616030337 APEUVBMQFQSRAF-UHFFFAOYSA-N 346.416 1.140 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)O)c1 647928665 RLEIRPZGCNAJCO-AWEZNQCLSA-N 334.397 1.673 0 40 EDAB O=C(NCC(F)(F)F)C1=NO[C@]2(CCCN(c3ccncn3)C2)C1 585101214 OGEKKYYBFWUFNS-CYBMUJFWSA-N 343.309 1.270 0 40 EDAB COCC(=O)N1CCC[C@H](c2cncc(-c3cnc(C)n3C)n2)C1 585260984 ZXSAJTFJOGAVNY-ZDUSSCGKSA-N 329.404 1.538 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2cccc3cccnc23)CC[C@H]1OC 585276377 NSLKAFFGDYBDER-GDBMZVCRSA-N 341.411 1.848 0 40 EDAB Cc1ccccc1C[C@H]1CCN(CC(=O)N2CCOCC2)C[C@@H]1O 585279812 PRYIJSXUUCRMAO-MSOLQXFVSA-N 332.444 1.079 0 40 EDAB O=S(=O)(N[C@@H]1CCN(CC2CC2)C1)c1cccc2cccnc12 71909272 PNIJZHUQQIKXBK-OAHLLOKOSA-N 331.441 1.997 0 40 EDAB COCCN1CCC(NC(=O)C2(c3ccccc3)CCOCC2)CC1 85468036 HFFFPHGWUGRSSR-UHFFFAOYSA-N 346.471 1.962 0 40 EDAB Cc1ccsc1[C@H](O)CNS(=O)(=O)c1c(C)nn(C)c1C 96025753 OVZXKHJDLQXBLE-LLVKDONJSA-N 329.447 1.419 0 40 EDAB C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(C(=O)O)n(C)n3)ccc2O1 585086352 HRRCPZXIJDIJMI-QMMMGPOBSA-N 337.357 1.243 0 40 EDAB O=C(c1ccco1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615123084 CABUTCPFPOPERK-SFHVURJKSA-N 326.352 1.928 0 40 EDAB CN1[C@@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@@H]2OCCS1(=O)=O 1534640239 YQQQZVBLPIPTSV-KGLIPLIRSA-N 348.827 1.324 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)CC(=O)N(C)O3)c1 1549167073 LMQZHFMYWLBEDS-UHFFFAOYSA-N 334.372 1.472 0 40 EDAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C)c(=O)n1N 5994670 KQDMDHBHJCHIOA-UHFFFAOYSA-N 339.808 1.353 0 40 EDAB CN(C)c1ccc(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)cc1 12115823 PAXWFTFFIYOWAK-UHFFFAOYSA-N 336.399 1.905 0 40 EDAB Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 12117079 ZENKSEMUGYBFPF-SECBINFHSA-N 336.373 1.547 0 40 EDAB CN1C(=O)N(CC(=O)NCCc2ccccc2)c2cccnc2N1C 12117728 GZHOPJQLHMNHEG-UHFFFAOYSA-N 339.399 1.664 0 40 EDAB O=C1CCCN1CC(=O)N1CCC[C@H](n2nnc3cc(F)ccc32)C1 12184863 AWLMJBGOQPWERP-ZDUSSCGKSA-N 345.378 1.356 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NCCN1CC[C@@H](c2ccccc2)C1 12239687 VPEOJANMJWWDDT-MRXNPFEDSA-N 348.472 1.496 0 40 EDAB Cc1csc2nc3n(c(=O)c12)CCN(Cc1cncn1C)CC3 19240291 YCQQUAKSXRLCQB-UHFFFAOYSA-N 329.429 1.558 0 40 EDAB CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)n[nH]1 19451833 QFVXUZUDKVUMQP-INIZCTEOSA-N 340.431 1.946 0 40 EDAB CN1CCC(C(=O)N2CCC(c3ccc4c(N)n[nH]c4n3)CC2)CC1 19703364 KGUBBWLOAIAJQM-UHFFFAOYSA-N 342.447 1.588 0 40 EDAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(=O)CCOC)CC2 19711444 JRZVDWZZVCQZFR-CYBMUJFWSA-N 347.463 1.249 0 40 EDAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCCCOC(C)C 14031496 PFWQXLHQJPYYGB-LBPRGKRZSA-N 325.434 1.520 0 40 EDAB CC(C)c1nc(N2CCN(C(=O)c3ccccn3)CC2)nc(O)c1F 1888844211 AKWIJXKWNKHBEP-UHFFFAOYSA-N 345.378 1.802 0 40 EDAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1ccc(S(N)(=O)=O)cc1 17854029 RSRKTMPHLLUGBD-SNVBAGLBSA-N 344.396 1.701 0 40 EDAB CNC(=O)c1cnn2c([C@@H]3CCCN(C(=O)C(C)(C)C)C3)ccnc12 1848352092 BYRIGAONHMEQED-GFCCVEGCSA-N 343.431 1.841 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2cc3ccc(OC)cc3[nH]2)CC1 25235501 NYWUGNYZETZGNH-UHFFFAOYSA-N 344.415 1.117 0 40 EDAB CC(=O)NCCNC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 32740735 NGGKHPBHTISTKE-UHFFFAOYSA-N 348.790 1.060 0 40 EDAB O=C([C@@H]1CCCO1)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1776008353 DXWFFTDXITUSCN-INIZCTEOSA-N 343.358 1.612 0 40 EDAB O=C(NCc1nnc2c(O)nccn12)c1ccccc1Br 238876730 OFVFAGPYSHSQPY-UHFFFAOYSA-N 348.160 1.522 0 40 EDAB COc1ccc(CN2CCN(c3ncnc4[nH]cnc34)C[C@H]2C)cn1 2087043327 OOLWIMHFNBFNEQ-GFCCVEGCSA-N 339.403 1.467 0 40 EDAB O=C1CC2(CCN(C(=O)C3(F)CC3)CC2)CN1Cc1cccnc1 1565546072 VGBZLCADUMKCIA-UHFFFAOYSA-N 331.391 1.925 0 40 EDAB O=C(NC1CC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1)c1ccncc1 1565552769 WVZNHHCKGCQVCR-DYFKXQJBSA-N 341.411 1.085 0 40 EDAB CCN(CC)c1nc(-n2cccc2)nc(-n2nnc(C(C)=O)c2C)n1 4754000 CHDYXIGTPCGUBW-UHFFFAOYSA-N 340.391 1.600 0 40 EDAB NC(=O)c1ccccc1NC(=O)Cn1cnc(-c2ccccc2)cc1=O 13806567 BGYBOJQRGPAITP-UHFFFAOYSA-N 348.362 1.648 0 40 EDAB CN(C)C(=O)C1(Nc2cccc(F)c2)CCN(S(C)(=O)=O)CC1 2055734510 FEQZDYYXQRFLFZ-UHFFFAOYSA-N 343.424 1.120 0 40 EDAB Cc1ccccc1CN[C@@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055730222 NNFPBDNJBNHXDF-CQSZACIVSA-N 349.456 1.679 0 40 EDAB Cn1cnc(N2CCC(COc3ccc(C4CC4)nn3)CC2)cc1=O 1775966301 WUVHXSDLEQNRLU-UHFFFAOYSA-N 341.415 1.743 0 40 EDAB Cn1cc(-c2nccnc2CNS(=O)(=O)c2ccccc2F)cn1 575621066 XTSAIYHWAMNCCE-UHFFFAOYSA-N 347.375 1.495 0 40 EDAB O=C(NCCOCCn1ccnc1)c1ccc(Br)o1 575618558 CHARWGLULUFMHV-UHFFFAOYSA-N 328.166 1.685 0 40 EDAB COC(=O)c1cnc(NC(=O)[C@@H](C)n2nc(C3CC3)ccc2=O)s1 585149956 NIFXJIGOJRGFSB-MRVPVSSYSA-N 348.384 1.564 0 40 EDAB CS(=O)(=O)N1C[C@H]2CN(c3ccc(Br)cn3)C[C@@H]2C1 2298206432 JDSDIVVMXDSKBX-NXEZZACHSA-N 346.250 1.172 0 40 EDAB O=S(=O)(NCC[C@H](O)c1ccc2c(c1)OCO2)c1cccs1 85560998 UUMDEXCPAPKBDY-NSHDSACASA-N 341.410 1.879 0 40 EDAB O=C(NCc1nnc2n1CCC2)Nc1cc(C(F)(F)F)c[nH]c1=O 50038652 UGWYNOMFJZPRBB-UHFFFAOYSA-N 342.281 1.253 0 40 EDAB C[C@@H](Oc1ccc(F)cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1 40497290 YMYCWMXOYHBRLC-LLVKDONJSA-N 344.408 1.133 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)Cn1c(C)cc(=O)n2ncnc12 40498016 HGNRCFLETZGBLW-CQSZACIVSA-N 328.372 1.256 0 40 EDAB CCc1ccccc1N1C[C@@H](C(=O)N[C@@H]2CCSC2=O)CC1=O 20371729 WXZLBXOZKNMLLC-QWHCGFSZSA-N 332.425 1.750 0 40 EDAB CN1CCN(CC(=O)Nc2ncc(C(F)(F)F)cc2Cl)CC1 20366437 WVUKVJYCVUWNJW-UHFFFAOYSA-N 336.745 1.940 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2cccnc2)NC(=S)N[C@]1(O)C(F)(F)F 138654 RSLVVUUOPBHYPT-HOTUBEGUSA-N 349.334 1.031 0 40 EDAB O=C(NCc1ccnc(-n2cccn2)c1)c1n[nH]c(=O)c2ccccc12 40510759 YPNWBVLXMCCOGL-UHFFFAOYSA-N 346.350 1.434 0 40 EDAB O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cnccn1 40538618 IVXBRVZCWXRWSC-UHFFFAOYSA-N 346.350 1.587 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 21063836 NBDGGYQQGHWFOB-CHWSQXEVSA-N 336.480 1.583 0 40 EDAB CCCn1c(=O)c2ccccc2n2c(SCCNCCO)nnc12 2638940 SSJUIFWBLBZTLB-UHFFFAOYSA-N 347.444 1.128 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(F)c(F)c1F 2646493 MGUMCROLSOBBPE-UHFFFAOYSA-N 341.289 1.907 0 40 EDAB C[C@@H](NC(=O)c1c(I)cnn1C)[C@H]1CCCO1 2775182 FQBYRUSKGSGUOG-VXNVDRBHSA-N 349.172 1.322 0 40 EDAB CCn1ncc2c1CCC[C@@H]2N[C@@H]1CCCN(c2cnn(C)c2)C1=O 76047127 XCZMCRUUVYIJKU-JKSUJKDBSA-N 342.447 1.799 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)C[C@@H]3OCCc4ccsc43)CCO2)n1 76044941 CXGOWKZUZZHCIB-QWHCGFSZSA-N 348.428 1.779 0 40 EDAB CC(C)[C@@H](NC1CCOCC1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 76305762 LQCLZRPMMVBXED-OAHLLOKOSA-N 333.388 1.853 0 40 EDAB Cc1nn(CC(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c(=O)c2ccccc12 78895254 KNXYWNGQLFLMRQ-WBMJQRKESA-N 328.416 1.113 0 40 EDAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(OCC(N)=O)cc1 78898621 DCKDUFYNSPECBL-DYVFJYSZSA-N 345.443 1.287 0 40 EDAB CCOC(=O)NCCC(=O)Nc1cc(C)ccc1NS(C)(=O)=O 78878373 QHEUPDVDHLODHR-UHFFFAOYSA-N 343.405 1.441 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)CCO2)n1 78888660 CMYPWMSLNSVPGA-OCCSQVGLSA-N 341.371 1.139 0 40 EDAB O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@H](CO)C1 79285984 HEQLFVRSZCNHRP-INIZCTEOSA-N 331.460 1.849 0 40 EDAB NC(=O)C1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 33018735 XQALYEQMKLEILR-GFCCVEGCSA-N 347.242 1.930 0 40 EDAB O=C(CCn1cccn1)NC[C@H]1CCN(CCc2ccccc2)C1 103132984 DSCFKVGBYYIBIQ-GOSISDBHSA-N 326.444 1.954 0 40 EDAB COC(=O)[C@@H](CCSC)N1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 4837316 UMOGQTFWNXIEOH-OUAUKWLOSA-N 331.821 1.799 0 40 EDAB COCCCNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 8481113 OVTAGYVDOAIQBZ-UHFFFAOYSA-N 342.461 1.694 0 40 EDAB CCCn1c(S[C@H](C)C(=O)Nc2ccnn2C(C)C)n[nH]c1=O 8938470 CSFNTAWNPYFZIB-SNVBAGLBSA-N 338.437 1.878 0 40 EDAB O=C(c1ccno1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@@H]2CC1 107255113 ZWELSOUNLGQTRH-CVEARBPZSA-N 342.399 1.575 0 40 EDAB O=C(Cc1cccc(F)c1)NC[C@H]([C@H]1CCOC1)N1CCOCC1 47635209 UDYFCWQUQLIBME-DOTOQJQBSA-N 336.407 1.222 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)NCc3ccnn3C)CC2)s1 56873419 QKCXRNGIVSKDRV-UHFFFAOYSA-N 347.444 1.458 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)COc2ccccc2)C1=O 24347192 UUUUODKKFLXALL-YVEFUNNKSA-N 330.340 1.487 0 40 EDAB CC1(C)C[C@@H](C(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)CCO1 104181052 QHHWCSVBSCFMCZ-KKUMJFAQSA-N 330.428 1.999 0 40 EDAB Cn1ccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)cc1=O 55029509 SABARDOCSPGQJO-UHFFFAOYSA-N 346.475 1.982 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc4cn[nH]c34)cc2[nH]1 12521104 PUYIWXFMQPNNGR-UHFFFAOYSA-N 329.341 1.533 0 40 EDAB Cc1csc(=O)n1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 24972881 ICPVQSLBLFUMCJ-SNVBAGLBSA-N 347.396 1.966 0 40 EDAB Cc1cc(CN(C)C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)no1 25138971 FSMRJBRHPACUDH-GFCCVEGCSA-N 341.371 1.280 0 40 EDAB C[C@@H]1CN(C(=O)COC(=O)COc2ccc(Cl)cc2)C[C@@H](C)O1 3275682 ZGIFPLAWACRHIB-VXGBXAGGSA-N 341.791 1.898 0 40 EDAB Cc1cccc(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 26396089 OTTPWBHNZSIQOV-LBPRGKRZSA-N 333.413 1.871 0 40 EDAB CCOC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2-c1ccccc1 57477969 MZTZKUIUPNCCFA-UHFFFAOYSA-N 325.324 1.261 0 40 EDAB CN(C(=O)c1ccnc(N2CCN(CCO)CC2)c1)c1ccccc1 72307757 HCIWVPQFMXUNQV-UHFFFAOYSA-N 340.427 1.473 0 40 EDAB CCCN1CCC[C@@H]1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 58061075 VPZIVAZOYBGXOP-RDTXWAMCSA-N 344.415 1.554 0 40 EDAB CCOc1ccc(OC[C@H](O)Cn2nnc(-c3cccnc3)n2)cc1 58004107 UPZLIMOXQCSQMI-CQSZACIVSA-N 341.371 1.574 0 40 EDAB CCOc1ncccc1NC(=O)C1=NN(c2ccccc2)C(=O)CN1 27585713 QEYKWMRVJDEFNJ-UHFFFAOYSA-N 339.355 1.369 0 40 EDAB CN(Cc1cccc(F)c1)S(=O)(=O)c1cccc(-n2cnnn2)c1 58208953 UHCIUUXIGGZWHI-UHFFFAOYSA-N 347.375 1.622 0 40 EDAB CC[C@H](CN1CCN(C)CC1)NC(=O)C1(c2cccc(F)c2)CC1 22862129 SCTMYCTYQRVYRZ-QGZVFWFLSA-N 333.451 2.000 0 40 EDAB CC(C)N(CCCNC(=O)N[C@@H](C)c1ccncc1)S(C)(=O)=O 44950105 VUQAASDOCONVHP-ZDUSSCGKSA-N 342.465 1.502 0 40 EDAB Nc1ccccc1C(=O)NCCNC(=O)c1ccc2ccccc2n1 10313774 KDEVEAAHZOWDFO-UHFFFAOYSA-N 334.379 1.977 0 40 EDAB COCCNC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 10304921 LKOPWEHIAKSGNI-LBPRGKRZSA-N 343.427 1.785 0 40 EDAB CCCNC(=O)[C@H](C)N1CCC(C(=O)Nc2cnn(CC)c2)CC1 58311288 PHYZSRJXQUYNQP-ZDUSSCGKSA-N 335.452 1.468 0 40 EDAB C[C@H](C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2)n1cncn1 58420233 ZVXWAXXJCQOZEC-GFCCVEGCSA-N 330.388 1.704 0 40 EDAB O=C(O)c1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 2235666 PPIGMJZTTWTBMO-UHFFFAOYSA-N 334.309 1.620 0 40 EDAB NC(=O)c1ccc(NC(=O)CCNC(=O)NCc2ccccc2)cc1 12886320 JTPAHLIDHVHUJW-UHFFFAOYSA-N 340.383 1.614 0 40 EDAB C[C@@H](O)c1ccccc1OCCn1nnn(-c2ccccc2)c1=O 12902245 PAQSKANXGUZYRJ-CYBMUJFWSA-N 326.356 1.561 0 40 EDAB COc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)c(OC)c1 3617722 HURDAEYEWILGQG-UHFFFAOYSA-N 340.339 1.447 0 40 EDAB C[C@H]1CN(C(=O)COc2ccc(=O)n(-c3ccccc3)n2)C[C@@H](C)O1 13398810 MJPUSCHKOHYBRM-OKILXGFUSA-N 343.383 1.247 0 40 EDAB COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(N)=O)ccc1O 4047336 WZMLIZQVNWKMNA-KKXDTOCCSA-N 334.416 1.554 0 40 EDAB biogenic CCCn1nc(C(=O)N2CCC[C@@H](n3ccnc3CC)C2)ccc1=O 71870668 IJFGGKKEJWSYPF-CQSZACIVSA-N 343.431 1.890 0 40 EDAB O=C(COC[C@@H]1CCCO1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 71883708 KZDQEZVJYXYRMM-KGLIPLIRSA-N 340.370 1.855 0 40 EDAB Nc1nnc(SCC(=O)OCC(=O)c2ccc(F)cc2)s1 13845305 OLXKETHIJLMSIW-UHFFFAOYSA-N 327.362 1.778 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCOc3ccccc32)CC1 65398747 HWHCJKWLFRSLOM-AWEZNQCLSA-N 338.429 1.298 0 40 EDAB Cc1ccccc1-c1cc(C(=O)NCCN2CCCS2(=O)=O)[nH]n1 65415518 WUVZNUUDTMSSPO-UHFFFAOYSA-N 348.428 1.150 0 40 EDAB COc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccco2)ccc1OCC(N)=O 65477346 NMEASJCVNJOFLH-QWHCGFSZSA-N 344.367 1.572 0 40 EDAB Cc1cccc(C)c1OC1CCN(C(=O)CN2C(=O)CNC2=O)CC1 65459359 CZXVLWHYWMTKIZ-UHFFFAOYSA-N 345.399 1.225 0 40 EDAB CC(C)n1nnnc1S[C@H](C)C(=O)NC(=O)NC1CCCC1 14093636 LASBHEMMHOTUOX-SECBINFHSA-N 326.426 1.503 0 40 EDAB COCCOc1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cn1 65530926 WFHRFJSYMQJDLP-INIZCTEOSA-N 345.399 1.832 0 40 EDAB CCn1c(S[C@@H](C)C(=O)N2CCNC2=O)nnc1-c1ccco1 9053978 CPEJFPHHBLRHQV-VIFPVBQESA-N 335.389 1.590 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 14199253 AJVLVKCDCJSZQS-CYBMUJFWSA-N 335.429 1.915 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(N)=O)cc1 14140293 JOSXTBVDBILBDX-UHFFFAOYSA-N 348.380 1.207 0 40 EDAB NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 9095570 YOJAMJLYLQCQBV-UHFFFAOYSA-N 341.367 1.869 0 40 EDAB C[C@H](NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)[C@H]1CCCO1 65610126 JYGJLRZQQVWFAG-XJKSGUPXSA-N 347.415 1.427 0 40 EDAB O=C(NC1CCN(c2nc3ccccc3s2)CC1)[C@H]1COCCO1 65926090 SSCBOHXGCDAULD-CQSZACIVSA-N 347.440 1.797 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@H](O)c2cccc(F)c2)c(C)c1 66218913 WIJUSUOIBJRWBL-INIZCTEOSA-N 346.358 1.931 0 40 EDAB CCc1nnc2n1CCN([C@H](C)C(=O)N1CCc3sccc3C1)C2 71871951 KNMQJNTXMIUDNJ-GFCCVEGCSA-N 345.472 1.691 0 40 EDAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N(C)C)c(OC)c1 5786316 AMWCYWSZLZBYOU-CQSZACIVSA-N 335.429 1.585 0 40 EDAB O=C(c1csc(-c2nc[nH]n2)n1)N1CCC[C@H]1Cn1cccn1 71866783 SHGCPPKWSIUBNU-JTQLQIEISA-N 329.389 1.430 0 40 EDAB CC(C)(C)C(=O)N1CCCN(C(=O)C(=O)Nc2cccnc2)CC1 67596374 KQFAUWUSLRSLOY-UHFFFAOYSA-N 332.404 1.127 0 40 EDAB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CCNC(=O)C(C)(C)C 67731708 GQXSGNSDFWYHMJ-NSHDSACASA-N 343.493 1.355 0 40 EDAB CN1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 96007667 ZEEXTVZGBJBMGB-SNVBAGLBSA-N 337.367 1.721 0 40 EDAB O=C(NCc1ccccc1CN1CCCC1)[C@H]1CCS(=O)(=O)C1 68931983 WEZGYDMAVZRCTL-INIZCTEOSA-N 336.457 1.333 0 40 EDAB COc1ccccc1N1CCC[C@@H](Nc2ccc3nnnn3n2)C1 71910176 WLIHFXSXDMDRFW-GFCCVEGCSA-N 325.376 1.609 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)ccc1=O 70040990 BPEAEIHZFBIRBD-CQSZACIVSA-N 329.404 1.463 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ccccn3)CC2)c1C 9609910 RYAURXMOXQXCEY-UHFFFAOYSA-N 342.399 1.776 0 40 EDAB CC(C)COC1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 119608618 LQUOQOOTLNZWGX-OKILXGFUSA-N 334.482 1.477 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C/c1cccnc1 70007162 LLJFACSCMQZBOI-FDMDGMSGSA-N 330.432 1.154 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)Cc2cc(Cl)ccc2OC)CC1 70006506 OQTXJRQSIDFVGK-OAHLLOKOSA-N 340.851 1.806 0 40 EDAB CC(=O)N1CCCC[C@H]1CC(=O)N1CCC[C@H]1Cn1cc(C)cn1 70015088 KMIIPNVSZYURJN-IRXDYDNUSA-N 332.448 1.974 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN([C@@H](C)C(=O)Nc3cc(C)on3)CCO2)n1 69349834 ZMWDSLDAANEAEL-GJZGRUSLSA-N 347.419 1.524 0 40 EDAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H](C2OCCO2)C1 69351756 KPCDCQPNVMSVIZ-JTQLQIEISA-N 333.356 1.738 0 40 EDAB CNC(=O)CCN(C)S(=O)(=O)Cc1ccccc1C(F)(F)F 71904710 SQKDOWYNFZVWML-UHFFFAOYSA-N 338.351 1.603 0 40 EDAB CC[C@H]1CN(C(=O)[C@@H](Cc2ccc3c(c2)OCO3)NC(C)=O)CCO1 69435482 WOUHRTVUXZESIK-LSDHHAIUSA-N 348.399 1.100 0 40 EDAB Cc1nc(C(=O)N2CCn3c(C)nnc3C2)nn1-c1ccc(F)cc1 69486237 WKSMGZSENWDGLS-UHFFFAOYSA-N 341.350 1.271 0 40 EDAB COc1cccc(CN2CCN(c3ccc4nncn4n3)[C@@H](C)C2)c1 69459478 MUQYUPNCHKPXPX-AWEZNQCLSA-N 338.415 1.844 0 40 EDAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCO[C@H](Cn2cc(C)cn2)C1 69699829 WXRWIRAENCSOBG-GJZGRUSLSA-N 347.419 1.606 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 69628236 PKNNPESUOGQRJE-HNNXBMFYSA-N 348.428 1.306 0 40 EDAB COc1ccccc1C(=O)N1CCN(C(=O)Cc2ccccn2)CC1 69652812 UKNLCBCJKYRHAM-UHFFFAOYSA-N 339.395 1.617 0 40 EDAB CC(=O)NCc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1 8528096 QNIBSETVOGAQDR-UHFFFAOYSA-N 335.367 1.859 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnnn2C2CCOCC2)C1 69772821 PXNLFJTXQMAQRQ-RYUDHWBXSA-N 339.465 1.621 0 40 EDAB CN(CCNC(=O)NCc1ccc(-n2ccnc2)nc1)C1CCCC1 69848937 BDWQOKHSBKEDDZ-UHFFFAOYSA-N 342.447 1.941 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCCN2CCCS(=O)(=O)N(C)C)n1 69875193 PTSHVCPTDKGBJM-HNNXBMFYSA-N 343.497 1.031 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)N2CCN(C[C@@H](C)O)CC2)c1C 69980696 WSOHJCGVTDDWBQ-OAHLLOKOSA-N 342.443 1.628 0 40 EDAB CCOCCN1CCN(CCc2nc3ccccc3c(=O)[nH]2)C[C@@H]1C 69950799 PKRFNUMXBJRIMJ-HNNXBMFYSA-N 344.459 1.508 0 40 EDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1ccc(C)cc1 9691814 SGUBFABJGOSJIY-UHFFFAOYSA-N 346.452 1.903 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)cn1 97081403 XXJBIXDIDQOPAY-AWEZNQCLSA-N 349.412 1.717 0 40 EDAB Cc1ccc2oc(C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)cc2n1 72269365 FMFVXRGWXHZKJL-LSDHHAIUSA-N 329.400 1.807 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)CN3Cc4ccccc4C3=O)C2)no1 72268083 MDXAFNGWFXFVOL-AWEZNQCLSA-N 340.383 1.740 0 40 EDAB O=C(NC[C@@]1(O)CCCc2ccccc21)c1cccc(-n2cnnn2)c1 72298136 NDMVQTLOHSAUJF-IBGZPJMESA-N 349.394 1.616 0 40 EDAB Cc1ccc(CNC(=O)Cn2c(=O)c3cccnc3n2C)cc1F 72282334 DAQQWIBEKZMEJW-UHFFFAOYSA-N 328.347 1.499 0 40 EDAB Cc1cccc(CCNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 72280843 YYQISXOVPFFQKQ-ZDUSSCGKSA-N 343.349 2.000 0 40 EDAB Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCc1cccc(F)c1 84523859 VNDFQUJLNVSTAG-UHFFFAOYSA-N 340.376 1.907 0 40 EDAB C[C@@H]1CN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)O1 95377656 NQCWAHBPUNLUHH-CHWSQXEVSA-N 337.420 1.267 0 40 EDAB CCN(C[C@@H]1CN(Cc2nc(C)c(C)o2)CCO1)c1cccnn1 84774677 SWNHSPNOJSPUCD-HNNXBMFYSA-N 331.420 1.809 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N[C@H]1CCCN(c2ccccc2F)C1 95447247 KYLKERHGVVCARH-KBPBESRZSA-N 346.410 1.774 0 40 EDAB CSc1nnc(CCCNC(=O)[C@H]2CCCN2)n1C1CCCC1 73350570 XWAWDGIUNYPZIB-CYBMUJFWSA-N 337.493 1.916 0 40 EDAB Cc1cccc(-n2cc(C(=O)N(CCO)Cc3cccnc3)nn2)c1 95977790 AWWBPJXFWYBVJG-UHFFFAOYSA-N 337.383 1.605 0 40 EDAB Cc1cc(NCCNC(=O)[C@@H]2C[C@H]2c2ccccc2)n2ncnc2n1 95960407 APXINQPXFJIXLA-LSDHHAIUSA-N 336.399 1.765 0 40 EDAB Nc1ncc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2ncc[nH]2)C1 95973113 BKCMGJLQFSSLCQ-VIFPVBQESA-N 341.824 1.609 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2ccc(Cn3ccnc3)o2)CC1 95956492 JXLHYMJLONLDCC-UHFFFAOYSA-N 346.387 1.875 0 40 EDAB Cc1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1 9951031 GBGSLLGQEFRCEO-UHFFFAOYSA-N 334.723 1.018 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@]1(CCO)CCOC1 89540338 QRFJKHQHIQPYCT-CQSZACIVSA-N 333.837 1.716 0 40 EDAB C[C@H](NC(=O)c1cnns1)[C@@H]1CN(Cc2ccccc2)CCO1 75145763 CWXIVYOXNXRNKR-JSGCOSHPSA-N 332.429 1.557 0 40 EDAB Cc1cccc(CS(=O)(=O)NCCCN2CCC(O)CC2)c1 89669543 QAWLMWLPBZUCDC-UHFFFAOYSA-N 326.462 1.261 0 40 EDAB Cn1cc(C[C@@H]2CCN(S(=O)(=O)c3ccc4cn[nH]c4c3)C2)cn1 89755593 NUPNISRWCIHKBU-LBPRGKRZSA-N 345.428 1.550 0 40 EDAB CCCCn1nnnc1CN1CCC[C@H](c2ccnc(COC)n2)C1 89955432 FHLABELPKZYYNL-AWEZNQCLSA-N 345.451 1.789 0 40 EDAB C[C@](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)(C(=O)O)c1ccccc1 89905424 VVELQPHPXNERJX-SCLBCKFNSA-N 330.384 1.361 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)C12CCC2 89985729 IQMDVCCCJZYEHP-KGLIPLIRSA-N 348.447 1.235 0 40 EDAB CN1C(=O)N[C@@](C)([C@H]2CCCN(CCOc3ccc(F)cc3)C2)C1=O 89914252 WZXUVDMZPNJBQG-UGSOOPFHSA-N 349.406 1.857 0 40 EDAB O=C(COc1ccc(Cl)cc1Cl)NCCN1CCOCC1 20435882 RGPSOYFBKZRACN-UHFFFAOYSA-N 333.215 1.821 0 40 EDAB CCN1CC[C@@H](NCC2CC2)[C@]2(CC(C(=O)NCC3CC3)=NO2)C1 306132891 LVJIJMMMLVLWAP-AEFFLSMTSA-N 334.464 1.122 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 548023241 ZEKAAIIMCLKCKU-GUYCJALGSA-N 348.491 1.710 0 40 EDAB COC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 408618415 KGJPWEWIOANRAO-CHWSQXEVSA-N 328.434 1.301 0 40 EDAB CC(C)[C@@H](CNC(=O)CCc1ccc2c(c1)OCO2)N1CCOCC1 36758190 AFIBIVMBLKKDNV-MRXNPFEDSA-N 348.443 1.821 0 40 EDAB COCc1nnc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)s1 524734467 HVGGAGCWCGBRDX-NSHDSACASA-N 345.388 1.094 0 40 EDAB CN1CCC(CNC(=O)[C@H]2OCOc3ccccc32)(N(C)C)CC1 36740675 CQLOCLNHTCVQRB-INIZCTEOSA-N 333.432 1.236 0 40 EDAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccccc2)N1CCO 35379670 ORHKZLVVDXKINP-NVXWUHKLSA-N 333.409 1.328 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)C2CCCCC2)c1 31711528 ASADXBJQJFLKBM-UHFFFAOYSA-N 326.418 1.248 0 40 EDAB COc1ccc(C)cc1NS(=O)(=O)c1nnc(NC(C)=O)s1 36182844 WTOPVYCWYGDDCW-UHFFFAOYSA-N 342.402 1.614 0 40 EDAB Cc1nc(CNC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)sc1C 189068446 NFYVWHRDQKUBCY-NSHDSACASA-N 340.493 1.747 0 40 EDAB CC(C)C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)nc1 72321816 WNTZBDWRQCZBEP-FPQZTECRSA-N 332.322 1.450 0 40 EDAB biogenic,in-vitro C[C@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1)c1ccncc1 72237869 UZROWWSMMMIPKL-DOPJRALCSA-N 339.395 1.857 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cnc2n1CCCC2 562747285 ZIHPDNPPSZBHJX-VXGBXAGGSA-N 330.388 1.333 0 40 EDAB Cc1noc(CCCNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)n1 79000020 IFRBXTRIXZHSFG-LSDHHAIUSA-N 348.447 1.856 0 40 EDAB CCC[C@H](C(=O)O)N1CCC(NS(=O)(=O)c2cccs2)CC1 568402614 OERIYAJYMAXBKV-GFCCVEGCSA-N 346.474 1.744 0 40 EDAB S=C(NCc1cccnc1)Nc1ccc(N2CCOCC2)nc1 223939724 HNTZETLZUYVMJH-UHFFFAOYSA-N 329.429 1.800 0 40 EDAB COc1ccc(C2=NO[C@@](C)(C(=O)NCCC(=O)N(C)C)C2)cc1 223297675 FVTXGBIQXZMLEK-QGZVFWFLSA-N 333.388 1.173 0 40 EDAB Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2nnc(C3CCC3)n2C)n1 571468889 ARWGQTQFSTVBLY-YGRLFVJLSA-N 332.408 1.736 0 40 EDAB CO[C@@H](C)CS(=O)(=O)NCCN1CCc2c(Cl)cccc2C1 195466707 BREJJMUBUJPCOH-LBPRGKRZSA-N 346.880 1.652 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 222423802 IPNXCJKQLZETLC-HDEZJCGLSA-N 332.444 1.986 0 40 EDAB CN1CCN(c2cccc(Cl)c2CNCCS(C)(=O)=O)CC1 92375468 WYGAXMPKZXBUKA-UHFFFAOYSA-N 345.896 1.226 0 40 EDAB CCn1nnc2c1[C@H](COCC(=O)N(C)C)CN(Cc1ccco1)C2 96045545 LQTKJSOYEKVLSR-ZDUSSCGKSA-N 347.419 1.095 0 40 EDAB Cc1nocc1C(=O)N1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 96224652 ZBVLSPOSNJXLKO-KRWDZBQOSA-N 343.387 1.376 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@@H]12 96038619 DXTKXIKTGHJFIE-FVQBIDKESA-N 339.399 1.205 0 40 EDAB Cc1cnc(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cn1 96121865 PSKRAPAMTMKRBD-UHFFFAOYSA-N 335.360 1.222 0 40 EDAB Cc1cccc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCC3)C2)n1 97953631 AVIXKMCOEHUROG-OKZBNKHCSA-N 329.444 1.849 0 40 EDAB CS(=O)(=O)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 96226283 CJQMXMYZBMRXAP-OAHLLOKOSA-N 328.409 1.457 0 40 EDAB O=C(c1ccoc1)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 96160355 BWKXEQNHRSHPSN-WBVHZDCISA-N 331.372 1.567 0 40 EDAB O=C(CN1CCCCC1=O)NCCc1ccn(-c2ccc(F)cc2)n1 96431472 XAEMZHVURNPNHF-UHFFFAOYSA-N 344.390 1.683 0 40 EDAB CCCS(=O)(=O)N1C[C@@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96042610 QZRLGQXVYLWOSM-NFAWXSAZSA-N 326.418 1.432 0 40 EDAB COc1ccc(OC)c(NC(=O)CCNC(=O)c2ccnn2C)c1 96192372 GUADSYKECNVUEL-UHFFFAOYSA-N 332.360 1.196 0 40 EDAB O=C(NCCc1ccccn1)[C@@]12CCO[C@@H]1CCN(CC1CC1)C2 96064875 WOJHVDANZMXTEN-IEBWSBKVSA-N 329.444 1.631 0 40 EDAB CN1CCCC[C@@H]1CCn1ncc(N2CCC(CN)CC2)cc1=O 95367569 LSEDSCWFHGNKJM-MRXNPFEDSA-N 333.480 1.293 0 40 EDAB CN1CCC[C@H]2CN(C(=O)NCc3ccccc3OCCO)CC[C@H]21 247342411 XQKBOCNTAHCIMN-DLBZAZTESA-N 347.459 1.683 0 40 EDAB Cn1cnc(S(=O)(=O)N2CC3(C[C@@H](OCC4CC4)CS3)C2)c1 248041069 OGMHRVJVGQQSLT-GFCCVEGCSA-N 343.474 1.095 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 247871678 QXKGRFYHRXTLNN-CYBMUJFWSA-N 328.397 1.651 0 40 EDAB CCn1ncc(CNC(=O)Nc2ccc(F)cc2N2CCOCC2)n1 529118951 JAMBOYNXCWCRHM-UHFFFAOYSA-N 348.382 1.595 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CN(Cc3ccc(C)cc3)CCO2)n1 257308568 TXFZPWVZDUYOEO-GOSISDBHSA-N 340.427 1.995 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)Cn3nnc4ccccc43)CCO2)ccn1 257309911 UCXBKMPESKSRMR-KRWDZBQOSA-N 337.383 1.735 0 40 EDAB Cc1n[nH]cc1-c1nccnc1C[C@H]1CCCN(S(C)(=O)=O)C1 257335155 YIXKMVKPMGJKPF-GFCCVEGCSA-N 335.433 1.389 0 40 EDAB C[C@H](NC(=O)OC(C)(C)C)c1nnn(CC(=O)NC2CCCC2)n1 585118139 DIXBRJLACAKNEV-JTQLQIEISA-N 338.412 1.318 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cncc3nc[nH]c23)C1 585121296 LFNKKCDFBJFUEC-LBPRGKRZSA-N 327.388 1.336 0 40 EDAB O=C1CO[C@@H]2CN(Cc3cnccn3)C[C@H]2N1Cc1ccc(F)cc1 257225845 FIDDVARVSZIWAZ-IAGOWNOFSA-N 342.374 1.228 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1Cc1cn(C)cn1 257265529 LZAQPPXKRUYCBT-INIZCTEOSA-N 328.420 1.492 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)/C=C/c3ccccc3)CC2)OC[C@]1(C)O 257296048 RAZOMRUKWIRMMH-ZERCDLRSSA-N 344.455 1.820 0 40 EDAB O=C(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1cnn2cccnc12 257249797 JJUZETHNFGYDKY-BZUAXINKSA-N 343.431 1.227 0 40 EDAB Cc1cc(O)nc(N2CCC(NC(=O)Cc3ccccc3F)CC2)n1 253537289 JYXNQIMDISMCGQ-UHFFFAOYSA-N 344.390 1.957 0 40 EDAB CN1CCCC[C@@H]2N(S(=O)(=O)c3cn(C)cn3)CCC[C@@]21C 257234630 GULDDNFQXBRJPL-ZFWWWQNUSA-N 326.466 1.448 0 40 EDAB CCOc1ncccc1C(=O)N1CCO[C@H](c2nccnc2N)C1 257328099 XECJJHIQOGLYQP-LBPRGKRZSA-N 329.360 1.066 0 40 EDAB CC(=O)N1CCC[C@H]1c1nc(C)ncc1CNC(=O)c1cccn1C 257282091 OSHPMAZGSMNEDM-HNNXBMFYSA-N 341.415 1.737 0 40 EDAB Cc1cc(-c2cc([C@H]3CCCN3S(=O)(=O)N(C)C)ccn2)[nH]n1 257265747 MACGSQRCIFXIEY-OAHLLOKOSA-N 335.433 1.723 0 40 EDAB Cc1cn[nH]c1C[C@H]1CCCN(S(=O)(=O)c2cn(C)nc2C)C1 257245737 IQXHNNMJWFARKW-CYBMUJFWSA-N 337.449 1.403 0 40 EDAB CCCc1cc(C(=O)N(C)C[C@]2(O)CCN(c3cnccn3)C2)no1 257214838 CNPIRGWMHQTCII-QGZVFWFLSA-N 345.403 1.131 0 40 EDAB COc1ccc(Br)cc1Cc1nnnn1CC(=O)O 1604756532 QCWXMPAQLINTKL-UHFFFAOYSA-N 327.138 1.120 0 40 EDAB Cn1cc(CSc2nnc(SCc3cnn(C)c3)n2C)cn1 298268990 BNLFAEVVQWVRHG-UHFFFAOYSA-N 335.462 1.867 0 40 EDAB Nc1cc(S(N)(=O)=O)ccc1C(=O)N[C@@H]1CCCc2cccnc21 1615056154 GMDUZGSYXDRFRT-CQSZACIVSA-N 346.412 1.119 0 40 EDAB COCC(=O)NC1CCN(c2nnc(Cc3ccccc3)o2)CC1 1615057039 OELOTZZPCSCULC-UHFFFAOYSA-N 330.388 1.392 0 40 EDAB Cc1csc2ncnc(N3CCN(CCS(C)(=O)=O)CC3)c12 1615050046 FRJGEYXDUXXUCW-UHFFFAOYSA-N 340.474 1.166 0 40 EDAB CC(C)Oc1ccc(S(=O)(=O)N2CCOCC(F)(F)C2)cn1 606444562 HVASWXCXJUCKKS-UHFFFAOYSA-N 336.360 1.525 0 40 EDAB CN(CCO)S(=O)(=O)c1ccc(C(=O)Nc2ccsc2)cc1 390834364 XDBIOJXPHRWLQM-UHFFFAOYSA-N 340.426 1.613 0 40 EDAB CC(C)n1cc(C(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)cn1 585276265 FLHFRXZPQAUIBQ-LJQANCHMSA-N 343.427 1.910 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1cccc(OC)c1)C2 585104274 XRNLHSMXJUQHHR-OAHLLOKOSA-N 339.457 1.721 0 40 EDAB CC(=O)N[C@@H](C(=O)Nc1ccc(F)c(N2CCOCC2)c1)C(C)C 585123948 RUNIMJLUFRSVGQ-MRXNPFEDSA-N 337.395 1.762 0 40 EDAB CN1CCN(c2ccc(CNC(=O)c3cc(C4CC4)[nH]n3)cn2)CC1 65400965 UUUQCRFWYJHRQY-UHFFFAOYSA-N 340.431 1.364 0 40 EDAB Cn1nccc1S(=O)(=O)N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1 548559776 BNEBHEOTXXKEAZ-LLVKDONJSA-N 347.755 1.317 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)[C@H](Cc1ccccc1)n1cnnn1 107569755 DTXLYKKIYHZQTP-CVEARBPZSA-N 328.420 1.057 0 40 EDAB O=C(Cc1ccc(F)cc1)NCC1(OCCO)CCSCC1 828765333 HXDGDYYBXLMVRA-UHFFFAOYSA-N 327.421 1.759 0 40 EDAB COc1ccc(NC(=O)C[C@@H](C(=O)O)N2CCCCC2)c(OC)c1 5258329 DRHDZPJXDCWCQY-AWEZNQCLSA-N 336.388 1.972 0 40 EDAB O=C1[C@@H]2CCCN2S(=O)(=O)c2ccccc2N1Cc1cccnc1 12113158 PHFLHXSTVZXZOX-HNNXBMFYSA-N 343.408 1.782 0 40 EDAB COc1ccc(N2CCn3c2nnc(C(=O)NCC(C)C)c3=O)cc1 12233846 CKKAZWXNBRGROA-UHFFFAOYSA-N 343.387 1.184 0 40 EDAB CC1(C)S[C@@H]2[C@H](NC(=O)Nc3ccccc3)C(=O)N2[C@@H]1C(=O)O 16577311 LSCPNHFIESJHDY-CKYFFXLPSA-N 335.385 1.324 0 40 EDAB CC(=O)Nc1ccccc1C1=NNC(=O)[C@H]2[C@@H](C(=O)NC(C)C)[C@@]12C 19450032 YQLKRUVXRJVVFA-PMUMKWKESA-N 342.399 1.256 0 40 EDAB C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCOCC1 19456439 DTLSBQQPTNBJRF-KGLIPLIRSA-N 349.406 1.016 0 40 EDAB CN1CCc2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)ncc2C1 19590461 UFMLVQPODXAZTN-AWEZNQCLSA-N 337.427 1.879 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N3CC[C@H](c4ccccc4)C3)cnc21 19656442 AWOXVOBABQQATF-AWEZNQCLSA-N 337.383 1.146 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1conc1C 643586092 ZBEKCZLXBUPMJE-SUMWQHHRSA-N 335.404 1.661 0 40 EDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)C5CCC5)C[C@H]4C3)ncnc21 1888865678 LRLUSDRKRLBALQ-CHWSQXEVSA-N 326.404 1.058 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(S(=O)(=O)N(C)C)C3)nc1 1888875713 HZFCQQJZEVRAEQ-UKRRQHHQSA-N 340.449 1.072 0 40 EDAB O=C(c1cnccn1)N1CCC(COc2ccc3nccn3n2)CC1 1888888038 MPPZRLDRYIYQMR-UHFFFAOYSA-N 338.371 1.451 0 40 EDAB Oc1cc(C(F)F)nc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 1888913487 IWWMWHWUQNHZDG-UHFFFAOYSA-N 348.317 1.113 0 40 EDAB COc1ccc(-c2noc(Cn3nnc4ccccc4c3=O)n2)cc1 25252645 ZDAUZRGHPSILNJ-UHFFFAOYSA-N 335.323 1.898 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3csc(-c4ccco4)n3)CC2)N1 29600725 IEHCLNXHLNVWDY-UHFFFAOYSA-N 346.368 1.217 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)c2cc(C(C)=O)c[nH]2)c1 31335127 UYXALDZRMBXCKX-OAHLLOKOSA-N 332.356 1.698 0 40 EDAB O=C(c1cc2ccccn2c1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1066030183 WXLQNTWLJIFCAO-IYBDPMFKSA-N 333.395 1.938 0 40 EDAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCN(CC(N)=O)C2)n1 2037834955 LQCUPMFCDMUMFT-NSHDSACASA-N 332.433 1.568 0 40 EDAB COc1ccc(C(=O)N2CC3(C[C@@H](N4CCOCC4)CS3)C2)cn1 2056223780 AKFCJCVCFVMXBF-CQSZACIVSA-N 349.456 1.123 0 40 EDAB CC(C)NC(=O)c1ncn2c1CN(C(=O)CCc1ccc[nH]1)CCC2 1565554067 QXEIBWLCEWTINO-UHFFFAOYSA-N 343.431 1.715 0 40 EDAB O=C([C@H]1CCOC1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 1565556452 IXOAQMCXMHJJMR-VDZJLULYSA-N 346.427 1.785 0 40 EDAB O=C(C1CC(F)(F)C1)N1CCCn2nnc(CN3CCCC3)c2C1 1565554600 CFXZFQYYHIXREY-UHFFFAOYSA-N 339.390 1.652 0 40 EDAB CCS(=O)(=O)N1CCC(Nc2ccccc2)(C(=O)N(C)C)CC1 2055751106 IOQFZYCGNXLZJT-UHFFFAOYSA-N 339.461 1.371 0 40 EDAB COCCNC(=O)Cn1nc2c(c1NC(=O)C(C)(C)C)CSC2 23138967 CSOAWIQRZIQGEJ-UHFFFAOYSA-N 340.449 1.377 0 40 EDAB Cn1c(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)nc2ccccc21 2086889244 VRCUJUUACGWTOS-LBPRGKRZSA-N 334.445 1.624 0 40 EDAB CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 40543565 GZZKEWINYKGGKH-UHFFFAOYSA-N 338.429 1.206 0 40 EDAB CCc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)s1 51137581 SMDKQHIRMMYZFX-CYBMUJFWSA-N 338.454 1.685 0 40 EDAB COc1ccc(OC)c(N2C[C@@H](C(=O)NC[C@H](C)N(C)C)CC2=O)c1 46271791 GTVDJRNBSJIMRW-STQMWFEESA-N 349.431 1.123 0 40 EDAB NC(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 2635233 CZJBIAMTAMULQO-OAHLLOKOSA-N 326.352 1.056 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)C1=NN(c2ccccc2)C(=O)CN1 32940515 UVTDVBNTBHFUFD-CYBMUJFWSA-N 334.379 1.914 0 40 EDAB Cc1cc([C@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)C)c(C)s1 76066042 AEHDLEXTDAQBMF-CQSZACIVSA-N 335.433 1.569 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CSc3ccccc3O2)C[C@@H]1N1CCOCC1 76053819 YVSBPYFJMLXGLS-YCPHGPKFSA-N 348.468 1.719 0 40 EDAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 78883455 FWSDWXDKPCSRAB-MRXNPFEDSA-N 345.374 1.770 0 40 EDAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1Cl)C(=O)O 3205669 BFVLJADCRQKHHY-RDDDGLTNSA-N 349.792 1.816 0 40 EDAB CNC(=S)N(CCCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O 4132450 OBTQOYHPCLHFIZ-UHFFFAOYSA-N 333.457 1.834 0 40 EDAB COc1ccccc1NC(=O)C[C@@H](NCc1ccccn1)C(=O)O 4189752 ZFXZZGINDKEVFI-CQSZACIVSA-N 329.356 1.662 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(C)CC2)c1=O 4999875 HQCGMIJPAPLZLG-UHFFFAOYSA-N 329.400 1.442 0 40 EDAB COc1ccc([C@@H](NC(=O)CN2CCC(C(N)=O)CC2)C(C)C)cc1 22057918 DZQGOJXJDOUCTF-SFHVURJKSA-N 347.459 1.706 0 40 EDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(O)c3)C2=O)o1 6453217 GQUUTYSEUTUKBV-JYRVWZFOSA-N 342.307 1.865 0 40 EDAB COCCN(CC(=O)N(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 41628342 YOTDZRWFEQFOPO-UHFFFAOYSA-N 342.461 1.337 0 40 EDAB O=C(C[C@@H]1CCCO1)Nn1cnc2sc3c(c2c1=O)CCCC3 47055423 BNRXPKQNCUXRAU-JTQLQIEISA-N 333.413 1.976 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)on1 47062637 OSBFLJNOYZCUJD-UHFFFAOYSA-N 329.404 1.402 0 40 EDAB C[C@@H]1COCCN1C(=O)NCCC(=O)N1CCCc2ccccc21 47153386 VXSBQRTZCJINET-CQSZACIVSA-N 331.416 1.786 0 40 EDAB Cc1ccc(C(=O)N[C@H](C(=O)NC2CCN(C)CC2)C(C)C)cc1 23187951 FMZKONZNIBBDJG-KRWDZBQOSA-N 331.460 1.960 0 40 EDAB CS(=O)(=O)NC(=O)COc1ccc(Br)cc1F 42279987 AKQWUYVMRWKICQ-UHFFFAOYSA-N 326.143 1.043 0 40 EDAB Cc1cc(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c(C)[nH]1 23453984 JVVUPWXITQGXBN-UHFFFAOYSA-N 325.328 1.647 0 40 EDAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2csnn2)N1)OCCCO4 54681331 XWZBCOLMPWBWNC-LBPRGKRZSA-N 343.372 1.145 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)Nc2ccccc2)CC1 24246682 HMCQABQJYWUEJB-INIZCTEOSA-N 344.459 1.254 0 40 EDAB NC(=O)Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 24492772 MZMZWQGLTKLWJN-JTQLQIEISA-N 343.305 1.064 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 24938625 FSZXGSRTUPLTFT-KRWDZBQOSA-N 347.321 1.953 0 40 EDAB Cn1ccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1=O 25231468 WYEJQAHWDUJHIK-UHFFFAOYSA-N 343.358 1.123 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@H](C)C(=O)N3CCc4ccccc43)CCO2)n1 107054949 UGRDVCOJJJLESW-WBMJQRKESA-N 341.415 1.464 0 40 EDAB CN(CC(=O)N[C@H]1CCCc2ccccc21)c1ncnc2[nH]cnc12 56068089 XOQRZSAKWJDYHM-AWEZNQCLSA-N 336.399 1.983 0 40 EDAB CCCCS(=O)(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2c1cnn(C)c1 107206098 WFJPHAIDPCTPPB-KBPBESRZSA-N 340.449 1.120 0 40 EDAB COCCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1[N+](=O)[O-] 28911501 WTHWROVKQSTOTB-IZZDOVSWSA-N 335.316 1.282 0 40 EDAB Cc1cccc(-n2ncc(C(=O)N3CCC[C@@H](C(N)=O)C3)c2C)c1 44022833 LGEFGILPMIRVKN-CQSZACIVSA-N 326.400 1.827 0 40 EDAB CCOC(=O)CN(C)S(=O)(=O)c1sccc1Br 44390070 ITTFCKULBXXLHD-UHFFFAOYSA-N 342.236 1.694 0 40 EDAB O=C(COC(=O)c1ccccc1O)NCc1ccc2c(c1)OCO2 3224844 UFEPFBQCQVTLRI-UHFFFAOYSA-N 329.308 1.594 0 40 EDAB CN(Cc1ccccc1)CC1CCN(CC(=O)N2CCOCC2)CC1 57843674 PFNCVDILLIPLTG-UHFFFAOYSA-N 345.487 1.689 0 40 EDAB CC(=O)N1CCN(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 44892595 ZCQZIFCVLAXJQZ-GFCCVEGCSA-N 333.388 1.393 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)C(=O)NCC(C)(C)N1CCOCC1 44891283 AJTOPNZKVQOXSG-UHFFFAOYSA-N 349.431 1.668 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1 58213523 XCFPEBBPHBBEHZ-MRXNPFEDSA-N 336.399 1.695 0 40 EDAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 58210889 RSQJGZDEYBVUPW-UHFFFAOYSA-N 333.356 1.929 0 40 EDAB Cn1cccc1[C@H]1COCCN1C(=O)c1cccc(-n2cccn2)n1 97144123 QIEHHYKXIZOWMD-MRXNPFEDSA-N 337.383 1.820 0 40 EDAB CC(=O)N1CCC(NC(=O)c2cccnc2OCC(F)(F)F)CC1 44909165 FNSATWBZRYYKBV-UHFFFAOYSA-N 345.321 1.763 0 40 EDAB O=C1N[C@@](N2CCOCC2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1 22145332 YCKLEINGDYRZMN-ZDUSSCGKSA-N 347.268 1.473 0 40 EDAB Cc1onc2c(=O)n(C)nc(C(=O)NC34CC5CC(CC(C5)C3)C4)c12 58432661 JAFKCNYMONOYNO-UHFFFAOYSA-N 342.399 1.929 0 40 EDAB C[C@@]1(n2cc(C(=O)c3cc(F)ccc3O)cn2)CCS(=O)(=O)C1 48287625 DXMXPMOARMFVLL-OAHLLOKOSA-N 338.360 1.493 0 40 EDAB C[C@H](NC(=O)NC[C@H](C)N1CCc2sccc2C1)c1nncn1C 48353953 MBQTXVFLDFWZLK-RYUDHWBXSA-N 348.476 1.684 0 40 EDAB Cc1ccc(OC[C@H](O)CN2CCN(Cc3cc(C)on3)CC2)cc1 48345631 PDJZUYRCKPGFQU-GOSISDBHSA-N 345.443 1.849 0 40 EDAB Cc1ccccc1C(=O)NCC(=O)O[C@H](C)C(=O)NCc1ccco1 12906685 BAYFJEHIVDGUDZ-CYBMUJFWSA-N 344.367 1.566 0 40 EDAB C[C@H](OC(=O)[C@@H](C)N1CCc2ccccc2C1)C(=O)N1CCOCC1 70040137 KTGJVWDSCYCNEB-CABCVRRESA-N 346.427 1.224 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2coc(Br)c2)CC1 70040923 OGAPSPHHWUOIEF-NSHDSACASA-N 331.210 1.571 0 40 EDAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc(C(=O)O)cc1 13059264 BROXKTXFFATDPJ-UHFFFAOYSA-N 334.353 1.309 0 40 EDAB Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 3885689 XZUCQGGIQGWUAG-UHFFFAOYSA-N 340.323 1.231 0 40 EDAB CCn1ccnc1CN1CCN([C@H](C)C(=O)Nc2nccs2)CC1 69444488 RQPPGENWKOGUIP-CYBMUJFWSA-N 348.476 1.504 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCCc3csc(C)n3)CC2)no1 65415635 LFJFNSZIIBYGIL-UHFFFAOYSA-N 349.460 1.818 0 40 EDAB COc1cc(CNC(=O)Cn2cccn2)ccc1OC[C@@H]1CCCO1 65440151 GZVLVGOMSFAIDQ-HNNXBMFYSA-N 345.399 1.766 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1 65404186 JIVHPPCSBFQHHZ-LLVKDONJSA-N 325.386 1.574 0 40 EDAB CS(=O)(=O)CCNC(=O)Nc1cccc(C(=O)N2CCCC2)c1 69587736 YJMKVTOEASDKDD-UHFFFAOYSA-N 339.417 1.089 0 40 EDAB NS(=O)(=O)c1cnc(NC[C@@H]2COc3ccccc3O2)s1 65530796 BLHDTTZASBEVSF-MRVPVSSYSA-N 327.387 1.042 0 40 EDAB Cn1nnnc1N1CCC(NC(=O)c2csc3c2CCCC3)CC1 65536995 AKNLRBPNHQHFQR-UHFFFAOYSA-N 346.460 1.549 0 40 EDAB O=C(CNC(=O)C1CCCCC1)Nc1ccc(N2CCOCC2)nc1 14139615 TWTSZBDSVMYPCW-UHFFFAOYSA-N 346.431 1.553 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2[C@H](C(N)=O)c2ccc(F)cc2)n1 69624966 OFMXSPDLHLSGEW-HOTGVXAUSA-N 331.395 1.725 0 40 EDAB CCOc1ccccc1-c1noc(CN2CCN(C[C@H](C)O)CC2)n1 69627827 QZKNEMSCMFIAQA-AWEZNQCLSA-N 346.431 1.634 0 40 EDAB CCNC(=O)CNC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 69626392 HORQGCWMPXNGIK-ZYHUDNBSSA-N 329.322 1.997 0 40 EDAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3C)c2C)no1 6589794 OBIYCSGRBIOBTD-UHFFFAOYSA-N 332.389 1.889 0 40 EDAB COCCN1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1=O 91828939 XEHGLVIEINTMDT-UHFFFAOYSA-N 346.387 1.036 0 40 EDAB COc1ccc(OCCN(C)c2ccc(S(N)(=O)=O)cn2)cc1 22309572 YDDTXYCWDNMDON-UHFFFAOYSA-N 337.401 1.253 0 40 EDAB Cc1nc(CN2CCN(c3ccc4nncn4n3)[C@H](C)C2)oc1C 69742702 CRCOSNWPRKBBFR-LLVKDONJSA-N 327.392 1.440 0 40 EDAB Cc1csc([C@@](O)(CC(=O)N(C)Cc2ncc[nH]2)C(F)(F)F)n1 69773047 JURUYPCMYUDACJ-LBPRGKRZSA-N 348.350 1.973 0 40 EDAB Cc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)on1 17846819 OHRRMPYUOLPINB-UHFFFAOYSA-N 349.412 1.271 0 40 EDAB O[C@H](COCc1ccc(Cl)cc1)Cn1nnnc1-c1ccccn1 66738053 PCSABGLKEKBTNU-AWEZNQCLSA-N 345.790 1.966 0 40 EDAB CCCCNC(=O)Cn1ccn(-c2ccc(OCC)cc2)c(=O)c1=O 67255915 ISLOVDLAEIYZCS-UHFFFAOYSA-N 345.399 1.314 0 40 EDAB COc1ccccc1CCNC(=O)CSc1nc(C)cc(N)n1 7094638 ZDBXQJKEZSZPRV-UHFFFAOYSA-N 332.429 1.827 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)OC 7086150 FVDCRYZEYOXKOD-TVQRCGJNSA-N 348.321 1.571 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3cccc(C(N)=O)c3)C2)n1 69816863 PVTCDMGJKQVXTM-MRXNPFEDSA-N 327.432 1.906 0 40 EDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)[C@H]1CCCO1 7293742 UNKDTCRBIZGSMQ-SMDDNHRTSA-N 332.356 1.473 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)OC[C@@H]1CN(CC(C)C)CCO1 69948697 OIXRNQCPZGDUIB-JKSUJKDBSA-N 340.464 1.678 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1nc(-c3cccs3)no1)CC2 72302167 JUAABZYILBXMQO-UHFFFAOYSA-N 343.412 1.933 0 40 EDAB CC(=O)N1CC[C@H](C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)C1 97237361 KKLIJNBNDOSGLS-LBPRGKRZSA-N 331.351 1.342 0 40 EDAB C[C@@H](NC(=O)CN1CCn2ccnc2C1)c1ccc2c(c1)OCCO2 97201601 REOXQROYIQGORH-CYBMUJFWSA-N 342.399 1.347 0 40 EDAB CCc1nnc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 96154213 AREDXMZPYJKRNO-LPEHRKFASA-N 334.401 1.379 0 40 EDAB COc1cccc(CCNC(=O)CN(C[C@@H]2CCOC2)C2CC2)c1 97490668 QQWANNSNLVJKQL-INIZCTEOSA-N 332.444 1.855 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 71821646 XGRRLLSRPIDOFQ-CYBMUJFWSA-N 334.464 1.291 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 71806081 ZCCPJALAJPTAMN-INIZCTEOSA-N 344.459 1.736 0 40 EDAB COC(=O)CCc1nc(Cn2c3c(sc2=O)CCCCC3)no1 95396587 PZCYDZKMAGHZCO-UHFFFAOYSA-N 337.401 1.716 0 40 EDAB C[C@H](N1CCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1)C(F)(F)F 84638363 XVWXMSFMTDVTJF-OLZOCXBDSA-N 347.385 1.797 0 40 EDAB Cc1ccc(CNC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nc1 95416688 GMTSKZVAEIOZTK-UHFFFAOYSA-N 349.460 1.066 0 40 EDAB O=C1CN(C(=O)c2cn[nH]n2)[C@H](c2ccccc2)c2ccccc2N1 72174468 AMBVBMZEMRPJGU-QGZVFWFLSA-N 333.351 1.989 0 40 EDAB CCOC(=O)c1cnn(CCc2nc3sc(C)cc3c(=O)[nH]2)c1 97083573 REXLRRRHBJPHOC-UHFFFAOYSA-N 332.385 1.909 0 40 EDAB CCc1cnccc1C(=O)NCCCn1nc2ccccn2c1=O 97034957 AJRWQIAFZCBBBY-UHFFFAOYSA-N 325.372 1.274 0 40 EDAB CO[C@H](C)CC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 97046226 HPEJPKSOIXNLFY-NOZJJQNGSA-N 343.221 1.859 0 40 EDAB CN(CCNS(C)(=O)=O)C(=O)Cc1cccc(C(F)(F)F)c1 72282307 DUKNATQXQJIXQS-UHFFFAOYSA-N 338.351 1.256 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)[C@@H](C)N2CCCCC2=O)c(C)nn1C 72234459 MDGSMTOJMFOOQR-KGLIPLIRSA-N 348.447 1.802 0 40 EDAB C[C@H]1CN(Cc2nnc(-c3ccc(F)cc3)o2)CCN1C[C@@H](C)O 72279642 HGCZKSVUDJNBOP-QWHCGFSZSA-N 334.395 1.763 0 40 EDAB CCc1nnc2n1C[C@H](CN[C@H](C)C(=O)NCc1ccco1)CC2 72267493 HUMNNIZTXASWDQ-OLZOCXBDSA-N 331.420 1.290 0 40 EDAB Cn1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cn1 95449707 BGKDDHFNRTVLIF-ZDUSSCGKSA-N 336.754 1.748 0 40 EDAB C[C@@]1(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)CCOC1 95975266 SWQUVOSQRSFFEX-QGZVFWFLSA-N 340.387 1.880 0 40 EDAB Cc1c[nH]/c(=N/C(=O)c2ccncc2I)[nH]1 95977849 JVXISCDXFMECQQ-UHFFFAOYSA-N 328.113 1.392 0 40 EDAB CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2ccncc2)CC1 74758819 JWYHVLMSJVLCTR-DLBZAZTESA-N 332.448 1.866 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=O)CN2[C@@H](C)COC[C@@H]2C)c(C)c1 75145438 DBJLTGJVXHTJOU-HOTGVXAUSA-N 347.459 1.776 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@H]1CCN(Cc2cc(C)no2)C1 89606886 NUTQIGJGJAMMMA-AWEZNQCLSA-N 345.403 1.866 0 40 EDAB Cn1cc(C[C@@H](CNC(=O)Nc2cccc(Cl)c2)C(N)=O)cn1 89755384 KRWVFGQYLHMMLH-NSHDSACASA-N 335.795 1.539 0 40 EDAB CC(C)N1C(=O)N[C@](C)([C@H]2CCCN(CCc3cnn(C)c3)C2)C1=O 89869757 FAFOSLPTIAZQRU-MAUKXSAKSA-N 347.463 1.394 0 40 EDAB CC(C)N1C(=O)N[C@@](C)([C@@H]2CCCN(CCc3cnn(C)c3)C2)C1=O 89869756 FAFOSLPTIAZQRU-QAPCUYQASA-N 347.463 1.394 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 89887950 ALVXCBYOOAYLSB-CYBMUJFWSA-N 341.433 1.197 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C12CCC2 89985837 USILRUIUALHINH-OLZOCXBDSA-N 344.415 1.648 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)C[S@](=O)c2ccc(F)c(F)c2)C1 89954629 MXVZBNNEZAOBMC-BSNNYGBQSA-N 344.383 1.200 0 40 EDAB CC1(C)CN(S(=O)(=O)N2CCc3ccccc3C2)CC[S@]1=O 89919667 PJQYILLPROEXPB-NRFANRHFSA-N 342.486 1.132 0 40 EDAB Cc1cc(NCC2(C(N)=O)CCCC2)n2nc(C(F)(F)F)nc2n1 75613210 WLYBHIXSRHBMOY-UHFFFAOYSA-N 342.325 1.909 0 40 EDAB Cc1noc(COC(=O)CN(c2ccccc2C)S(C)(=O)=O)n1 25375537 USEKDZSDHDGOHO-UHFFFAOYSA-N 339.373 1.196 0 40 EDAB CCn1cc(CNC(=O)c2cc(-c3ccccc3)nc3ncnn23)cn1 36619536 JMHWAWNTOXMOOR-UHFFFAOYSA-N 347.382 1.938 0 40 EDAB CCOCC(=O)N1CCN(C2=NN=C(c3ccccc3)CS2)CC1 38489188 CPNLIRPBOMQMAO-UHFFFAOYSA-N 346.456 1.674 0 40 EDAB O=C(N[C@@H]1CCC[C@@H]1C(=O)O)c1cnc(CC2CCNCC2)s1 1553256895 YHAZUHNKIOOACE-NWDGAFQWSA-N 337.445 1.668 0 40 EDAB CCCCOc1ncccc1CNC(=O)[C@H]1CCCS1(=O)=O 566414872 VTGKERHRCCSKNJ-CYBMUJFWSA-N 326.418 1.454 0 40 EDAB COC(=O)[C@@H](c1ccccc1F)N1CC[C@H](CN2CCOCC2)C1 72688514 BEKWMCZNPLVMRK-RHSMWYFYSA-N 336.407 1.694 0 40 EDAB Cc1c(NC(=O)[C@]2(C)Oc3ccccc3N=C2O)c(C(N)=O)nn1C 36367176 ZOZWDWYYUFZOBR-MRXNPFEDSA-N 343.343 1.205 0 40 EDAB COC[C@H](NS(=O)(=O)c1cc(C(=O)O)co1)c1ccc(C)o1 564654176 ZFEQHYOZXSPCTN-JTQLQIEISA-N 329.330 1.545 0 40 EDAB Brc1nc(Br)n(CCC2OCCO2)n1 71978783 DLZUIIKWLIFKEY-UHFFFAOYSA-N 326.976 1.566 0 40 EDAB Cc1nc([C@@H]2CCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)n[nH]1 562719234 AHIDEDHVMQRZNF-OAHLLOKOSA-N 336.399 1.988 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2nc(-c3cccn3C)no2)s1 225768288 POAFUOOAXOSSQC-UHFFFAOYSA-N 338.414 1.924 0 40 EDAB CC[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1ccc(COC)cc1 569020495 CYPMLOMCQJYRPT-ZIAGYGMSSA-N 327.402 1.707 0 40 EDAB O=S(=O)(C1CC1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 528119817 WKHZVSCNIJAKEZ-UHFFFAOYSA-N 335.351 1.715 0 40 EDAB Nc1c(F)cc(Cl)cc1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 225561846 OFERNQVDBHVPSB-NSHDSACASA-N 341.814 1.856 0 40 EDAB CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2CCc3cc(F)ccc32)O1 225790155 OPASRRKFAPWWNQ-DZGCQCFKSA-N 335.379 1.534 0 40 EDAB COC(=O)c1ccc(CS(=O)(=O)NC(=O)c2ccnc(C)c2)cc1 225470280 PSBYKZDGJGLCHG-UHFFFAOYSA-N 348.380 1.436 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)NC(=O)CO2 40457608 HJFIVVKMFRFEFS-SECBINFHSA-N 329.312 1.368 0 40 EDAB Cn1nnnc1N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 530486609 PWCGPIAUCCLXDP-GFCCVEGCSA-N 344.423 1.446 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 331806539 KMMRUISAGWUSEE-NWDGAFQWSA-N 345.369 1.405 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCC2(CO)CC2)[C@H]1c1ccc(F)cc1 223225780 PPFQPDAXPXHXNX-GDBMZVCRSA-N 334.391 1.624 0 40 EDAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1ccncc1F)CC2 96067887 QWQDNYGDOQFTHK-UHFFFAOYSA-N 345.422 1.956 0 40 EDAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1ccncc1 96114352 JDWLYJUXFDXVCS-HNNXBMFYSA-N 336.351 1.891 0 40 EDAB biogenic O=C(C1CCOCC1)N1CCc2ncnc([C@H]3CCOC3)c2CC1 96058694 KIIZPJJOVOXKMJ-AWEZNQCLSA-N 331.416 1.334 0 40 EDAB O=C([C@@H]1CCOC1)N1CCO[C@@H]2C[C@H](COCc3ccccn3)C[C@H]21 96250884 DHSKPNJGSURCRX-JOCBIADPSA-N 346.427 1.641 0 40 EDAB CCc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)cc1 96410790 NCBUIRIEFUEMES-OAHLLOKOSA-N 341.415 1.316 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 96432099 JVYFNUKKHZRNIZ-TZMCWYRMSA-N 333.413 1.484 0 40 EDAB Cc1ncsc1CN1CCO[C@@H]2[C@@H]1CC[C@H]2OCC(=O)N(C)C 96041575 XNZPRZWKYCDLOD-WOSRLPQWSA-N 339.461 1.288 0 40 EDAB Cc1ccc(CC(=O)N2CCn3cc(Cn4cncn4)nc3C2)cc1 96067999 OALWBIAHVGYQNA-UHFFFAOYSA-N 336.399 1.416 0 40 EDAB CS(=O)(=O)[C@@H]1CCN(C(=O)NCCc2ccc3ccccc3n2)C1 331680917 QZCAOTXIJADBQH-OAHLLOKOSA-N 347.440 1.606 0 40 EDAB Cc1cccc(COC[C@]23COC[C@H]2CN(c2ncccn2)C3)n1 96108931 VKOVNMVUHNXFOW-QAPCUYQASA-N 326.400 1.850 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2OC[C@H](CC(=O)N3CCCCO3)[C@H]2C1 96220382 CVPROWLWZCQYTJ-USXIJHARSA-N 349.431 1.682 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 247846183 HBZFTVSGMGSPMW-HNNXBMFYSA-N 342.424 1.789 0 40 EDAB O=S(=O)(NC[C@@H]1CCC2(CN(Cc3ccoc3)C2)OC1)C1CC1 247308442 HNVKISINWMMGMC-ZDUSSCGKSA-N 340.445 1.342 0 40 EDAB CCCn1nccc1-c1nccnc1[C@@H]1CCCN(S(C)(=O)=O)C1 257201182 AGRFQFMCVSGMEK-CYBMUJFWSA-N 349.460 1.889 0 40 EDAB CN(C)C(=O)[C@]1(CCCc2ccccn2)CCCN(C(=O)CN)C1 257218198 DCFLJVDFDFIUHO-GOSISDBHSA-N 332.448 1.060 0 40 EDAB CC(C)c1noc(CCC(=O)NCc2cnc([C@@H]3CCN(C)C3)[nH]2)n1 257281822 ORDWVZVOAWXXTR-GFCCVEGCSA-N 346.435 1.584 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)CSC[C@@H]2CCCCO2)nc1 585124485 FLXKKNMIJNIJIW-NSHDSACASA-N 344.458 1.726 0 40 EDAB O=C(CCN1C(=O)CCC1=O)N[C@H](c1ccc(F)cc1)c1ncc[nH]1 585124063 CTJUVGLYHYFXPM-MRXNPFEDSA-N 344.346 1.294 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1Cc1cccs1 257242364 ICDNGPAHVWRRDT-LLVKDONJSA-N 327.431 1.448 0 40 EDAB COc1cccc2sc(OC3CN(C(=O)C4=COCCO4)C3)nc12 85556059 NTEOHGCRYBZUEB-UHFFFAOYSA-N 348.380 1.783 0 40 EDAB Cc1cccc(F)c1NC(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 274129984 OXFGYHWLNMZMBU-MGPLVRAMSA-N 334.351 1.634 0 40 EDAB CN(C)Cc1cc(C(=O)Nc2ccnc(O[C@H]3CCOC3)c2)no1 1615621028 BFIURVDDKSJGTA-LBPRGKRZSA-N 332.360 1.551 0 40 EDAB COCCC1(C(=O)N[C@@H]2CCN(c3nc(C)cc(O)n3)C2)CCCC1 1616037781 FWVSXJSHTRXEPJ-CQSZACIVSA-N 348.447 1.782 0 40 EDAB O=C1NCCN(C(=O)c2onc3c2CCCC3)[C@H]1Cc1ccccc1 1615557475 KPVWLTOQTBWKPQ-INIZCTEOSA-N 339.395 1.737 0 40 EDAB COc1ccc(CC(C)(C)NC(=O)[C@H]2CCc3nnc(O)n3C2)cc1 1615591285 SXSJPWWUBAWGOK-ZDUSSCGKSA-N 344.415 1.692 0 40 EDAB Cn1cccc(C(=O)NCC[C@H](O)c2cc3ccccc3o2)c1=O 96097207 SGPKTGMHEOKAKJ-AWEZNQCLSA-N 326.352 1.985 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@@H](CNC(=O)c3ccco3)CO2)C1 575406106 VUQUWRBNJNXLRX-HZSPNIEDSA-N 332.400 1.673 0 40 EDAB O=C(c1cccc(O)c1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575404075 MDAMCYOJWLUURE-HNNXBMFYSA-N 341.367 1.635 0 40 EDAB CC(C)(C(=O)O)n1cc(Nc2ncnc3c2ncn3C2CC2)cn1 662896064 SCDWBYZHKTVREN-UHFFFAOYSA-N 327.348 1.921 0 40 EDAB Cc1nnc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)s1 585094487 QAEZCAFBPPIFMY-OKILXGFUSA-N 342.424 1.464 0 40 EDAB Cc1cc(C)cc(C(=O)N2C[C@H]3ON=C(C(=O)N4CCCC4)[C@H]3C2)c1 585109101 UYFOJQPTWXPAKD-JKSUJKDBSA-N 341.411 1.753 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)c1ccc(OCC(N)=O)c(OC)c1 53436706 XQZKBWPRXIWIJZ-ZDUSSCGKSA-N 336.388 1.200 0 40 EDAB CCNC(=O)CN(C)C(=O)c1cccc(Cn2nc(C)cc2C)c1 58282121 RUDBTLKVSQAXMK-UHFFFAOYSA-N 328.416 1.756 0 40 EDAB CC(C)(CNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)C(N)=O 97362270 AAFAIDCBLQRJFR-NSHDSACASA-N 337.445 1.371 0 40 EDAB CNS(=O)(=O)c1ccc(N2C[C@H](COC)OC(C)(C)C2)c(F)c1 515358660 NCXKUIYQMANOOK-LLVKDONJSA-N 346.424 1.364 0 40 EDAB Cc1c(C(=O)NC[C@H]2CCCSC2)cnn1-c1ccc(O)nn1 561716442 XPNSTQHBNFYVKG-LLVKDONJSA-N 333.417 1.549 0 40 EDAB CCO/C=C/[C@](O)(CNC(=O)NCC(C)(C)OC)C(F)(F)F 585137819 USSWHHDYUVGROI-SYTKJHMZSA-N 328.331 1.554 0 40 EDAB CCOCC(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 5077936 XYOQUHCHDIKFNP-UHFFFAOYSA-N 335.385 1.276 0 40 EDAB Cc1ccc(Nc2nc3nonc3n3c(CC(=O)O)nnc23)cc1C 5337670 JBJCSHBNQMYQBQ-UHFFFAOYSA-N 339.315 1.648 0 40 EDAB COCC(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 12326967 YFQJUJUPBLKVFW-VIFPVBQESA-N 325.319 1.414 0 40 EDAB COc1ccc(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)on2)cc1 12371007 DDEZFFVAMOKNST-LLVKDONJSA-N 336.369 1.267 0 40 EDAB COCCC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 12407856 OJOPTGMCIGEYHG-NWDGAFQWSA-N 343.378 1.544 0 40 EDAB CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1NC(=O)C1CC1 14608445 MQTOKTKTIGUUQQ-UHFFFAOYSA-N 329.360 1.804 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1ccccc1)C2=O 2642623 NAJOZKQODGBPGW-IFXJQAMLSA-N 343.427 1.846 0 40 EDAB O=C(CS(=O)(=O)C1CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 583482038 RILFZEMMOZMOTB-AWEZNQCLSA-N 343.832 1.817 0 40 EDAB CN(C[C@H](O)CN1CCc2c(nnn2-c2ccccc2)C1)C1CC1 583909315 WMDOHIOLNKQRIU-INIZCTEOSA-N 327.432 1.081 0 40 EDAB CCOc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OCC 4504523 HDCHVUDVNRNLOV-GFCCVEGCSA-N 327.402 1.401 0 40 EDAB Cc1cc(N2CCN([C@@H](C)C(=O)NC(C)C)CC2)n2nccc2n1 1888897366 PTSWZXLSHJMWLS-AWEZNQCLSA-N 330.436 1.073 0 40 EDAB CCNC(=O)CN(CC)C(=O)COc1ccc(Br)cc1 27442463 CCNABUAIOYFFHY-UHFFFAOYSA-N 343.221 1.813 0 40 EDAB CC(C)c1noc(CCC(=O)Nc2ccc(N3CCOCC3)cn2)n1 30728048 WYXSWEQQUAXIEJ-UHFFFAOYSA-N 345.403 1.996 0 40 EDAB Cn1ccc(CC(=O)N2CCc3ncnc(-c4cccnc4)c3CC2)n1 1565542435 ZVHBKUZURZKVHO-UHFFFAOYSA-N 348.410 1.442 0 40 EDAB Cc1ccccc1Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1 8848737 SWAIDCASEJHMRM-UHFFFAOYSA-N 334.379 1.913 0 40 EDAB CC(C)N1Cc2cncn2[C@]2(CCCN(C(=O)c3cc[nH]n3)C2)C1 2055784417 WIKMDGNEULBNLC-KRWDZBQOSA-N 328.420 1.462 0 40 EDAB O=C(NCc1ccco1)C(=O)NC[C@H](c1ccsc1)n1cccn1 575614356 QSJCJLUWRPPDAD-CQSZACIVSA-N 344.396 1.560 0 40 EDAB O=c1ccc(-c2cccnc2)nn1CC1CN([C@@H]2CCCC[C@@H]2O)C1 585605666 FSFOPRWEVGFTAE-MSOLQXFVSA-N 340.427 1.541 0 40 EDAB COc1ccc(CN2CCN(c3ccc4nncn4n3)C[C@@H]2C)cn1 2298054301 OFYNMMLAUPAYPJ-ZDUSSCGKSA-N 339.403 1.239 0 40 EDAB C[C@H](NC(=O)c1ccc(N(C)C)nc1)c1ccc2c(c1)NC(=O)CO2 33120477 WPZNWEMJRXEOBP-NSHDSACASA-N 340.383 1.970 0 40 EDAB COc1cccc(NC(=O)CCNS(=O)(=O)c2cccnc2)c1 40086476 YJWXSRLINHSJKE-UHFFFAOYSA-N 335.385 1.397 0 40 EDAB CC[C@@H]1CN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)CCO1 30853656 XFPPQBSJANWSKM-OAHLLOKOSA-N 327.384 1.792 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)OCC(=O)NC2CCCCCC2)c1C 30815397 AGBVOGQNRTUTBW-UHFFFAOYSA-N 335.404 1.393 0 40 EDAB CCN(CC)[C@@H](CNC(=O)c1ccc(-n2cnnn2)cc1)C(C)C 31379459 IZKMNOLTPXGZGU-INIZCTEOSA-N 330.436 1.759 0 40 EDAB NC(=O)[C@H]1CCCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1 40475874 PKEVZKXOGYYCLI-JQWIXIFHSA-N 347.242 1.930 0 40 EDAB O=C(NCC1CCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1 31438116 NSQAQXODKZVVJP-UHFFFAOYSA-N 337.445 1.399 0 40 EDAB COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1cc(C)no1 40528532 SPWTVGCESGJYMQ-LLVKDONJSA-N 338.385 1.934 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NC2CCC(C)CC2)no1 40528902 HFSYGHMENHNHCX-YDGIUTOCSA-N 328.434 1.981 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccccc2)C1 220780 ZSMIMNMRJQBZKL-INIZCTEOSA-N 338.473 1.797 0 40 EDAB CSc1ccc(Cl)cc1NC(=O)N1CCO[C@@H](C(N)=O)C1 51644340 OWNFEIIRUZCIBR-SNVBAGLBSA-N 329.809 1.780 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(NC(=O)c2cc(F)cc(F)c2)C1=O 21553007 XZNQJWVDGJJRAT-OAHLLOKOSA-N 335.266 1.670 0 40 EDAB COc1ccc(-c2noc(CS(=O)(=O)C[C@H]3CCCO3)n2)cc1 52434929 ORBZHDKHZZRCTJ-CYBMUJFWSA-N 338.385 1.839 0 40 EDAB O=C(NCCC(=O)N1CCCCC1)NCc1cn2c(n1)CCCC2 69414661 CTPCMNHTZIFQGM-UHFFFAOYSA-N 333.436 1.421 0 40 EDAB CCS(=O)(=O)CCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccsc1 69492044 AAIJAWFQTXVWAL-WCQYABFASA-N 345.442 1.547 0 40 EDAB COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(CC(C)C)C2=O)cc1 2619913 ADZXQMHYFXRBCV-SFHVURJKSA-N 347.415 1.668 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 69458467 QMOFHIXMYYTSTP-CABCVRRESA-N 329.400 1.716 0 40 EDAB O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc(Cn2ccccc2=O)o1 75849664 XAJWWHZMEJMICT-CQSZACIVSA-N 341.411 1.704 0 40 EDAB Cc1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)c(Br)c1 32912420 FZNGGCDZIXJUIP-BXKDBHETSA-N 344.230 1.907 0 40 EDAB Cc1cc2c(cc1C)O[C@H](C(=O)N1C[C@H](C)[C@H](N3CCOCC3)C1)C2 76052998 AFZYWTKHTICTDQ-WDYCEAGBSA-N 344.455 1.786 0 40 EDAB C[C@H]1C[C@H](Nc2nc3c(cnn3C)c(=O)[nH]2)C(=O)N1c1ccccc1 76063740 ZDCDAIIRDMCXOL-GWCFXTLKSA-N 338.371 1.263 0 40 EDAB Cc1nc(-c2cccc(C(=O)N(CC(N)=O)Cc3ccccc3)c2)n[nH]1 76061146 CPHWMIQCTORPDQ-UHFFFAOYSA-N 349.394 1.908 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)NCCc2cccs2)n1 69490479 PTWJWYLTXDQOGP-OAHLLOKOSA-N 347.488 1.780 0 40 EDAB Cc1ccc(C(=O)NCCCS(N)(=O)=O)cc1Br 78974288 MJJPVIFQWNVLQD-UHFFFAOYSA-N 335.223 1.166 0 40 EDAB COc1cc(CNc2cnn(C)c(=O)c2Br)ccn1 79034942 PKDCRAHTHRHVFL-UHFFFAOYSA-N 325.166 1.559 0 40 EDAB Cc1cc(S(=O)(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)ccc1F 79110956 UGNUSNIRGOAFDF-NSHDSACASA-N 349.449 1.720 0 40 EDAB CCOC(=O)/C(=C/N(C)C)c1nnnn1Cc1ccc(OC)cc1 2523021 FYHBRSLSDIIWFL-SDNWHVSQSA-N 331.376 1.196 0 40 EDAB C[C@@H]1S[C@@H](C)C(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 2710826 SOONQBLHRZDIBN-YUMQZZPRSA-N 328.340 1.782 0 40 EDAB CN1N=C(C(=O)NCc2ccnc(OC3CCCC3)c2)CCC1=O 41398620 FWPGEZXGPIMVQX-UHFFFAOYSA-N 330.388 1.627 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc(OCC(=O)OCC)cc1 6957930 JNJQIVOIDLIVNV-UHFFFAOYSA-N 345.417 1.333 0 40 EDAB CC(C)(CNC(=O)COc1ccc(Cl)cc1)N1CCOCC1 22227857 SUBDOHCHLLXABS-UHFFFAOYSA-N 326.824 1.946 0 40 EDAB COc1ccc(NC(=O)C2=NN(c3ccc(C)cc3)C(=O)CN2)cn1 24649030 XUZYOPUWVNSFRK-UHFFFAOYSA-N 339.355 1.287 0 40 EDAB CN(C)C(=O)COc1ccccc1CNC[C@@H]1CN(C2CC2)CCO1 106380699 BJDQQRPTRDBONR-QGZVFWFLSA-N 347.459 1.106 0 40 EDAB CCOC(=O)[C@]1(CC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420171 PEVPQDRTQGOZAM-MOROJQBDSA-N 348.374 1.413 0 40 EDAB CC(C)[C@H](CNS(=O)(=O)c1cccc(Cl)c1)N1CCOCC1 25373684 GPAUTSKQYCQHJB-HNNXBMFYSA-N 346.880 1.975 0 40 EDAB C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccccc1F 25957961 MZIZVVDPPVYEQI-FBOQAHMBSA-N 331.347 1.114 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)o2)cc1C(N)=O 26759885 LXZJKIJBLOKBBT-SNVBAGLBSA-N 338.385 1.735 0 40 EDAB O=S1(=O)CC[C@H](N(Cc2ccc(Cl)cn2)C[C@@H]2CCCO2)C1 108463209 ILJAIKCIHVIXKT-GJZGRUSLSA-N 344.864 1.903 0 40 EDAB CCOc1ncccc1NC(=O)NCC(=O)Nc1ccc(O)cc1 58007063 WXXZUZPUUSRCGF-UHFFFAOYSA-N 330.344 1.946 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)Nn1cnc2ccccc2c1=O 10086253 BGZYCWLMXYWPKS-UHFFFAOYSA-N 325.372 1.450 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)NCCc3cccc(O)c3)cnc12 58281237 JYPZZUPVEVWOSC-UHFFFAOYSA-N 337.379 1.769 0 40 EDAB Cc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)s1 97109533 UATYDWJMZPEXPB-GFCCVEGCSA-N 330.479 1.677 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCO[C@@H]2CCCC[C@@H]21 44969857 UDSAMWWMENPDIM-JKSUJKDBSA-N 327.384 1.567 0 40 EDAB COc1cccc(-c2nnn(Cc3cccc(OCC(N)=O)c3)n2)c1 58300329 FJUPWEDFCXXZED-UHFFFAOYSA-N 339.355 1.261 0 40 EDAB Cc1ccc([C@H](CNC(=O)[C@@H](C)S(=O)(=O)C(C)C)N(C)C)cc1 58379950 ACJXCDKCGPSURS-ZBFHGGJFSA-N 340.489 1.926 0 40 EDAB C[C@@H](C(=O)NC(C)(C)C)N1CCC(C(=O)NCc2ccco2)CC1 58311614 UFAVVCSDVVKGIZ-ZDUSSCGKSA-N 335.448 1.911 0 40 EDAB COc1ccc(C(=O)NCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 58305478 AKDNDQRRZMIPAZ-HZPDHXFCSA-N 332.400 1.595 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)c1 55299499 ZHXVIGPENSZUDY-UHFFFAOYSA-N 336.457 1.983 0 40 EDAB C[C@H]1C[C@H](C)CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 45310888 OOYGTTMXAXPWOO-RYUDHWBXSA-N 325.434 1.250 0 40 EDAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc2[nH]cnc2c1 10989578 KBDTZAMEAWOSLN-UHFFFAOYSA-N 337.383 1.725 0 40 EDAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 29192772 ZFRLQPZMVSFTGY-LLVKDONJSA-N 329.422 1.260 0 40 EDAB CCNC(=O)CN1CCCN(C(=O)c2cc(C)c(CC)s2)CC1 60093154 CZGCPMNAGSTKFB-UHFFFAOYSA-N 337.489 1.903 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)no1 46166754 GGVRHGAYQQYBFC-UHFFFAOYSA-N 329.404 1.402 0 40 EDAB CCCCn1c(S[C@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 3521687 XRWKUVDXCZLGNH-SNVBAGLBSA-N 348.428 1.872 0 40 EDAB Cc1cc(Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)no1 69564061 LCBFRVDVSHPXQM-UHFFFAOYSA-N 337.357 1.190 0 40 EDAB Cc1ccccc1-n1nnnc1SCC(=O)NCc1ccco1 5015444 LXZKMPGFZBHWKF-UHFFFAOYSA-N 329.385 1.972 0 40 EDAB C[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)[C@@H](O)c1ccc(F)cc1 69778143 YWNFJRBRYQAKHJ-MEBBXXQBSA-N 341.342 1.914 0 40 EDAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cnc3sccn3c2=O)C1 69773926 FXJLOUNAELDAFR-GFCCVEGCSA-N 343.412 1.738 0 40 EDAB COCCOCC(=O)N1CCc2c(Br)cccc2C1 69776248 VLIRZQFCEURLTK-UHFFFAOYSA-N 328.206 1.997 0 40 EDAB CCNC(=O)NC(=O)CN1CCO[C@H](c2ccccc2Cl)C1 69737696 LBBAGOFLHNJSKD-ZDUSSCGKSA-N 325.796 1.559 0 40 EDAB Cc1cccc(N2CCN(CCCCN3C(=O)CNC3=O)CC2)c1 5161099 SRAHKOZZGVIVTC-UHFFFAOYSA-N 330.432 1.449 0 40 EDAB CCOCCCNC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 408546778 VTFIEBQPJSLKGK-AWEZNQCLSA-N 342.461 1.692 0 40 EDAB COC[C@@H](O)CN(C)C(=O)N[C@@H](c1ccccc1)c1nccn1C 65435103 MACHXCWJWKBWMS-GJZGRUSLSA-N 332.404 1.158 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1cccnc1-n1cncn1 65531155 UJAHVVSKROWIBT-UHFFFAOYSA-N 326.408 1.060 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@H]1c1nnc2n1CCCCC2 65563915 YMTSIGTWFUNXKU-ZDUSSCGKSA-N 327.388 1.670 0 40 EDAB CC1CCC(NS(=O)(=O)CC(=O)NCCN2CCCCC2)CC1 65553216 OSEJKNXZGAZEOM-UHFFFAOYSA-N 345.509 1.087 0 40 EDAB C[C@@H]([C@@H](C)NCCOc1ccc(S(N)(=O)=O)cc1)n1cccn1 69973980 WGZVTIDTYDKFCN-OLZOCXBDSA-N 338.433 1.149 0 40 EDAB C[C@H](Sc1n[nH]c(N)n1)C(=O)N1c2ccccc2NC(=O)C1(C)C 14120854 CVMGSOZUFVIFQL-QMMMGPOBSA-N 346.416 1.631 0 40 EDAB C[C@@H](NC(=O)[C@@H](C)N(C)CC(=O)N1CCOCC1)c1ccccc1 14184285 LMSGBCQGJQWKHX-HUUCEWRRSA-N 333.432 1.043 0 40 EDAB CN(CCOc1cccc(CNS(C)(=O)=O)c1)C1CCOCC1 65626249 YPFNRRYQCRADAA-UHFFFAOYSA-N 342.461 1.225 0 40 EDAB Cc1c(-c2nnc(-c3ccc(F)cc3)o2)nnn1-c1nonc1N 4784075 CLJGMAIVWIDWDW-UHFFFAOYSA-N 328.267 1.397 0 40 EDAB O=C(COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc[nH]1 6784323 XURGVAMVACQGMW-HNNXBMFYSA-N 340.379 1.832 0 40 EDAB C[C@H](C(=O)NCc1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 15302829 OHZVFRKVQPOXHX-NVXWUHKLSA-N 345.443 1.015 0 40 EDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1nccs1 8991730 RKLIMDFCQYIOEJ-UHFFFAOYSA-N 342.380 1.817 0 40 EDAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 7248521 OMCVNTUFSUHJDU-GFCCVEGCSA-N 347.458 1.283 0 40 EDAB COC(=O)Cn1ccc(NS(=O)(=O)c2ccccc2Cl)n1 67899377 SUZOOUZQUMWNQD-UHFFFAOYSA-N 329.765 1.510 0 40 EDAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCNC1=O 7562472 QRMCFRLAKXQNMZ-UHFFFAOYSA-N 334.347 1.733 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2ccccc2SCC(N)=O)cn1 68235741 KETVFRXJQCMPIO-VXGBXAGGSA-N 330.413 1.740 0 40 EDAB Cc1cccc2nc(CNC(=O)[C@@H](C)NC(=O)c3ccoc3)cn12 68569491 OMWIETCYPXXOKY-GFCCVEGCSA-N 326.356 1.670 0 40 EDAB CN(CCCNS(C)(=O)=O)[C@@H]1CCCN(c2ccccc2)C1 81014229 FBPNGNWESGIDQO-MRXNPFEDSA-N 325.478 1.527 0 40 EDAB CCOC(=O)N1CCC(NC(=O)COc2ccccc2OC)CC1 7885279 KEOKCQGHOCQNIQ-UHFFFAOYSA-N 336.388 1.811 0 40 EDAB O=C(CN1CSCC1=O)N1CCN(c2ccccc2Cl)CC1 8077074 KDKCBHCDEXGFNX-UHFFFAOYSA-N 339.848 1.522 0 40 EDAB O=C1CN(C(=O)NCCCC(=O)NC2CCCC2)c2ccccc2N1 9134826 MHGGSDWHAPKFNL-UHFFFAOYSA-N 344.415 1.994 0 40 EDAB CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 70040238 MRGGSWKTLUIGDG-CQSZACIVSA-N 339.417 1.435 0 40 EDAB CN(CCN1CCOCC1)C(=O)c1ccc2c(c1O)OC(C)(C)C2 70036676 OZYHWMQQFRPVKQ-UHFFFAOYSA-N 334.416 1.510 0 40 EDAB COCCn1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nn2)n1 69385116 PJQJYABNDIMQAY-UHFFFAOYSA-N 330.323 1.502 0 40 EDAB CCC(=O)N[C@](Nc1nc(C)cs1)(C(=O)OC)C(F)(F)F 17029202 KANAXVRBOVCOSM-JTQLQIEISA-N 325.312 1.821 0 40 EDAB Cc1oc(-c2ccco2)nc1CN1CCc2nn(C)c(=O)cc2C1 72302363 SOLFRFAZMFRKOU-UHFFFAOYSA-N 326.356 1.895 0 40 EDAB CS(=O)(=O)c1ccccc1N1CCC(CN2CCOCC2)CC1 96453505 PYVBFYLDBUSBGH-UHFFFAOYSA-N 338.473 1.639 0 40 EDAB Cc1cc(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)ccc1F 71803280 SZWUYZZPMDDOHB-UHFFFAOYSA-N 347.434 1.904 0 40 EDAB CN(CCN1CCCC1)C(=O)[C@H]1CCCCN1Cc1ccncc1 71883697 XJRHEDWNBPTBMT-GOSISDBHSA-N 330.476 1.990 0 40 EDAB Cc1cnn(C[C@H]2CCCN2CCCn2cnc3c(N)ncnc32)c1 71875995 AWTHJWOPORSQSO-CQSZACIVSA-N 340.435 1.468 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(-c3cccs3)[nH]c2=O)CC1 71871422 YZLWOLRIRNNJKL-LBPRGKRZSA-N 347.440 1.242 0 40 EDAB NC(=O)c1ccc(=O)n(Cc2cccc(OCc3ccccc3)c2)n1 71803674 MXQPKEBRFILQQT-UHFFFAOYSA-N 335.363 1.970 0 40 EDAB Cc1cn2nc(NC[C@@H](O)COc3ccc4c(c3)OCO4)sc2n1 71827965 FTZDGDJMWZLKSZ-SNVBAGLBSA-N 348.384 1.680 0 40 EDAB CN(CC(=O)N1CCOCC1)C(=O)c1cc(Cl)cc(Cl)c1 72780809 OAJPPOBAOICZJC-UHFFFAOYSA-N 331.199 1.924 0 40 EDAB COc1ccc(Cl)c(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)c1 71900685 BYTSOBOQSSGTHR-LLVKDONJSA-N 332.853 1.921 0 40 EDAB CCC(C)(C)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 95396020 FZUFBLWSLSJDPN-UHFFFAOYSA-N 326.409 1.803 0 40 EDAB O=C(NCc1ccnc(OCC2CC2)c1)N1CCN(C2CC2)CC1 95394319 ITKXSNNKRRRKEF-UHFFFAOYSA-N 330.432 1.860 0 40 EDAB Cc1ccccc1CN(C)C(=O)c1ccc(CNS(C)(=O)=O)o1 84737443 LUCYTZUQKVQXMA-UHFFFAOYSA-N 336.413 1.909 0 40 EDAB CCN(C[C@@H]1CN(CCCc2cnn(C)c2)CCO1)c1cccnn1 84774601 FHIOJURVQHSNPF-KRWDZBQOSA-N 344.463 1.370 0 40 EDAB CCO[C@@H]1C[C@@H](NC[C@]2(N3CCOCC3)CCSC2)C1(C)C 97034457 PMELSFXWFFYALK-BFYDXBDKSA-N 328.522 1.988 0 40 EDAB Cn1cnc(CNC(=O)CCc2cc(F)ccc2Br)n1 97085812 AXVRODIDJWPDLC-UHFFFAOYSA-N 341.184 1.966 0 40 EDAB C[C@@H]1CN(Cc2cccc(CNC(=O)N3CCO[C@H](C)C3)c2)CCO1 72273169 KXZZEWIELJKRFB-HZPDHXFCSA-N 347.459 1.838 0 40 EDAB Cc1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1Cl 95443109 CFFORUHFQBZASE-GFCCVEGCSA-N 346.836 1.662 0 40 EDAB CCN(CC)C(=O)CCCNC(=O)[C@@H](C)n1nnnc1C(C)(C)C 95465627 SELOEBQBBGZESD-GFCCVEGCSA-N 338.456 1.296 0 40 EDAB Cc1cc(C)c(C(=O)NCCNc2ncnc3ccccc23)c(=O)[nH]1 73243342 ZCRAFPYCVZQVDI-UHFFFAOYSA-N 337.383 1.777 0 40 EDAB CC1CCN(C[C@H](O)CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 95985015 IBKYVEJZYBSDGS-OAGGEKHMSA-N 332.510 1.025 0 40 EDAB CN1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2C1 306130282 JBGKKFDECJYLBY-GJZGRUSLSA-N 345.424 1.348 0 40 EDAB Cc1csc(=O)n1CCN1CCN(C2=NCC(C)(C)S2)CC1 85821363 CBQFNUKTDFNNSB-UHFFFAOYSA-N 340.518 1.717 0 40 EDAB CCN1CCN(C[C@H](C)CNC(=O)N2CCS[C@H](C)[C@@H]2C)CC1 74660196 PXXKVYPOTAHLIK-OWCLPIDISA-N 342.553 1.795 0 40 EDAB CN(CC(=O)NC[C@@H]1CCCO1)Cc1cc(Br)cn1C 89755047 DJSPSKFWXRNDSB-ZDUSSCGKSA-N 344.253 1.515 0 40 EDAB NC(=O)C1CCN(CC(=O)NCc2csc(-c3ccco3)n2)CC1 89797987 AZYHUZUPHJFICQ-UHFFFAOYSA-N 348.428 1.217 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)Cc2nc3nc(C)cc(C)n3n2)C12CCC2 89985711 UPXBTMHNOAAQAL-ZIAGYGMSSA-N 343.431 1.748 0 40 EDAB Cc1ccccc1-n1ccn(CC(=O)NC2CCCC2)c(=O)c1=O 67320580 RLOWWKZJSMNBBF-UHFFFAOYSA-N 327.384 1.366 0 40 EDAB CCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O 37398986 XCZPOKRDUGEBNE-UHFFFAOYSA-N 341.367 1.483 0 40 EDAB CC(=O)N1CCCN(C(=O)NCc2nc3cccc(C)c3[nH]2)CC1 408047832 SRZOHWNHUGOPPY-UHFFFAOYSA-N 329.404 1.635 0 40 EDAB O=C(Cc1csc(NC(=O)c2cnccn2)n1)NCc1ccco1 36657932 VDTSSHPEPJVSKG-UHFFFAOYSA-N 343.368 1.637 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 675007732 LGWWAUZTPTWSPG-GJZGRUSLSA-N 349.398 1.867 0 40 EDAB Nn1c(SCC[C@H]2CCNC2=O)nnc1-c1ccccc1Cl 521394561 YNSPYSXIUFJGBJ-SECBINFHSA-N 337.836 1.931 0 40 EDAB Cc1cccc(C)c1C(=O)N1CCN([C@H]2CCNC(=O)CC2)CC1 562639987 SOAPETGYBSGGTP-MRXNPFEDSA-N 329.444 1.730 0 40 EDAB Cn1nc(-c2ccccc2)cc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 42383742 NAWVXBMACXEEBK-LBPRGKRZSA-N 333.413 1.252 0 40 EDAB COc1ccc(OCc2ncc(C(=O)O)c(N3CCOCC3)n2)cc1 49469384 WNWYBRANUZUSGF-UHFFFAOYSA-N 345.355 1.599 0 40 EDAB Cc1ccc(OCc2ncc(C(=O)O)c(N3CCOCC3)n2)cc1 49469368 OSWCXAYZNBHZJG-UHFFFAOYSA-N 329.356 1.899 0 40 EDAB COc1cccc(CNC(=O)C(=O)NC[C@](C)(O)c2cccs2)c1 75155942 XEQYOGNBKRATKB-KRWDZBQOSA-N 348.424 1.397 0 40 EDAB CS(=O)(=O)[C@H]1CCCN(c2ncncc2Br)CC1 571265243 ZVIGWUZCKQQCTL-VIFPVBQESA-N 334.239 1.643 0 40 EDAB CSc1nnc(NS(=O)(=O)c2ccc3c(c2)OCCO3)s1 225160342 IFORWLCNJSMJGN-UHFFFAOYSA-N 345.427 1.832 0 40 EDAB CCN1CCN(C(=O)c2cc(NC(=O)c3cccs3)n(C)n2)CC1 40745968 OZXHIACWPYQWOY-UHFFFAOYSA-N 347.444 1.512 0 40 EDAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc[nH]1 223677466 QHGIBMZSJXKMCC-CABCVRRESA-N 330.413 1.945 0 40 EDAB CO[C@H](C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21)C1CC1 577203524 YTYZLUOETDATLA-AWEZNQCLSA-N 325.386 1.241 0 40 EDAB CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1ccco1)C2 96060851 UYAKZDNGXMQSHO-AWEZNQCLSA-N 333.436 1.569 0 40 EDAB Cc1cc(C)nc(NCCC(=O)NCCc2nnc3ccccn23)n1 95472140 VDEQTBVRNBBXKY-UHFFFAOYSA-N 339.403 1.297 0 40 EDAB COc1ccccc1C[C@@H]1CCCN1S(=O)(=O)c1cnnn1C 330103952 IXLKNHCZYYCCMH-ZDUSSCGKSA-N 336.417 1.220 0 40 EDAB CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1ccc(C)o1)C2 96060863 RADPTLDTQRLIHV-HNNXBMFYSA-N 347.463 1.877 0 40 EDAB Cc1ccc(CS(=O)(=O)N2CCOC[C@@]3(CCN(C)C3)C2)cc1 96201964 DYUGKXJRFRXHSH-QGZVFWFLSA-N 338.473 1.479 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 96420664 QSRHEVOXAZYCGC-NVXWUHKLSA-N 328.416 1.289 0 40 EDAB CC(C)(C)n1cc(C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cn1 96419348 XSOUNPSPYKGDPX-OLZOCXBDSA-N 327.450 1.724 0 40 EDAB c1nnc(N2CCOC[C@@]3(CCCN(C4CCOCC4)C3)C2)s1 96229275 CMKFNNZDIBHUFD-MRXNPFEDSA-N 338.477 1.636 0 40 EDAB O=C([C@@H]1CCOC1)N1CC[C@]2(CCCN(Cc3nccs3)C2)C1 96158102 XPKRLHRWHYBYSJ-PBHICJAKSA-N 335.473 1.994 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(Cc3nccs3)C[C@@H]2O1 96083155 FIBJRPDSXMGPGN-NFAWXSAZSA-N 346.456 1.501 0 40 EDAB Cc1ccc(N2CCO[C@@H]3CN(C(=O)c4ccoc4)CC[C@@H]3C2)nn1 96249798 KJVHWAIDQLVFHL-GDBMZVCRSA-N 342.399 1.746 0 40 EDAB Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 97377759 FOSFHIQCYPCLSL-SNVBAGLBSA-N 346.246 1.983 0 40 EDAB CCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1sccc1C)C2 96108380 QZDCPJQEMXWCDH-HIFRSBDPSA-N 344.502 1.444 0 40 EDAB CCS(=O)(=O)NCCN1CCC(Oc2ccc(F)cc2)CC1 96406605 AESZXULBACDYIT-UHFFFAOYSA-N 330.425 1.608 0 40 EDAB O=C(c1ccncc1)N1CCO[C@@H]2[C@H](CNc3ncccn3)CC[C@@H]21 96082565 KXTIJCFUNXUZMD-HRCADAONSA-N 339.399 1.603 0 40 EDAB Cn1cccc1C(=O)N[C@H]1CN(Cc2ccco2)[C@@H]2CCCO[C@H]12 96186866 RJVJSWCLQGGPAX-ZMSDIMECSA-N 329.400 1.780 0 40 EDAB Cc1ccc(CN2CCC3(CC2)C[C@@H](N2CCN(C)CC2)CO3)o1 96048843 IDPAZHFJPWPCJR-QGZVFWFLSA-N 333.476 1.959 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC2CCCC2)CC1 96404057 WTXXTUCXLCBMFQ-AWEZNQCLSA-N 336.480 1.561 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@]2(CCN(C(=O)c3ccnnc3)C2)C1=O 96063629 XMHIEKNFCCQMES-QFBILLFUSA-N 336.395 1.565 0 40 EDAB Cn1cc(N2CC[C@@]3(CCCN(C(=O)c4ccncc4)C3)C2=O)cn1 96224651 GWFGNXXUXXDGLP-GOSISDBHSA-N 339.399 1.474 0 40 EDAB COCCN1CC[C@@]2(COCCN(Cc3ccc4c(c3)OCO4)C2)C1 96201975 BJQLPANVZNUPJR-LJQANCHMSA-N 348.443 1.586 0 40 EDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)NC2(Cc3ccccc3)CC2)C1 581882438 UXQZWTZOTRVYNX-CQSZACIVSA-N 338.429 1.393 0 40 EDAB Cc1nc(NC[C@@](C)(O)CN2CCOCC2)ccc1Br 96501989 DNGGUMNEBWQYRW-CQSZACIVSA-N 344.253 1.648 0 40 EDAB COC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccccc1OC)C2 248145113 SCYISZVVFXJZIH-AWEZNQCLSA-N 325.430 1.331 0 40 EDAB CCCCOc1ncccc1CNC(=O)c1ccc(=O)n(CCF)n1 585120671 ACXIKVXPICPMLQ-UHFFFAOYSA-N 348.378 1.717 0 40 EDAB O=C(Nc1[nH]nnc1C(=O)N1CCCC1)N[C@@H]1CC12CCCCC2 585119480 ISJNZPUFNCHTCE-LLVKDONJSA-N 332.408 1.885 0 40 EDAB CCCOc1ccc(CNC(=O)Nc2c(C(=O)OC)cnn2C)cn1 585119579 LUNPMTQRJQTBEU-UHFFFAOYSA-N 347.375 1.712 0 40 EDAB C[C@H](CCO)NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 585114156 RZCQJBIKIKMWNC-OLZOCXBDSA-N 342.436 1.290 0 40 EDAB CN(C)Cc1nccnc1C1CCN(CC(=O)N2CCCCC2)CC1 257272940 NEMMRDCVRWUPBX-UHFFFAOYSA-N 345.491 1.730 0 40 EDAB CN(C[C@]1(O)CCN(c2ccccn2)C1)C(=O)CCCn1cccn1 257290598 QDNSRMJWYDQVKO-GOSISDBHSA-N 343.431 1.158 0 40 EDAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)c1cnn(C)c1 257273576 NHGCZPLSWBTHNI-RWQQGDIJSA-N 348.491 1.896 0 40 EDAB C[C@@]1(C2CCN(CC(N)=O)CC2)CN(Cc2ccccc2)C(=O)O1 257208570 BMSHSQVHBPCFCQ-SFHVURJKSA-N 331.416 1.595 0 40 EDAB Cn1ccnc1-c1cncc(C[C@H]2CCN(C(=O)c3ccccn3)C2)n1 257262895 LNMTVLYVGNHLCQ-CQSZACIVSA-N 348.410 1.977 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1 257232994 GNGHTDANUJNJCO-INIZCTEOSA-N 343.383 1.713 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1)C(=O)NCCF 252497477 QJBFVSKLPWSYSZ-XQQFMLRXSA-N 325.388 1.140 0 40 EDAB CCn1nc(C(=O)NCc2cnc([C@@H]3CCN(C(C)=O)C3)[nH]2)cc1C 257322852 WHROEGAVPLFUPU-CYBMUJFWSA-N 344.419 1.200 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)Cc2csc(C)n2)n1 257227390 FPBHJYJTUMXZDX-CYBMUJFWSA-N 334.401 1.398 0 40 EDAB Cc1cc(O)nc([C@H]2CN(S(=O)(=O)Cc3ccccc3)CCO2)n1 257300883 RWAWUIGYYSJYDN-CQSZACIVSA-N 349.412 1.394 0 40 EDAB CC(C)(O)c1nnc2n1CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)C2 1616043255 VGZKQGAKPWZZBO-KGLIPLIRSA-N 326.400 1.651 0 40 EDAB O=C(O)CCCN(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 575420700 JGWOCYNFDLFYTC-AWEZNQCLSA-N 329.393 1.680 0 40 EDAB Cn1cc(NC(=O)CN2CC[C@H](O)[C@H](Cc3ccccc3F)C2)cn1 585277475 VMHKOSUQNWHXCN-PBHICJAKSA-N 346.406 1.423 0 40 EDAB CNC(=O)CC[C@]1(O)CCCN(C(=O)c2cc(F)cc(F)c2)C1 585279817 ZGLJXICMUWDXNS-MRXNPFEDSA-N 326.343 1.458 0 40 EDAB CC(C)CN1C[C@H]2C(=O)NC3(CCN(c4cnccn4)CC3)[C@H]2C1 585106227 XVCDTTUTHQCDPO-CABCVRRESA-N 329.448 1.149 0 40 EDAB COCC[C@H]1CN(S(=O)(=O)c2cccnc2)Cc2cccn2C1 585095508 UPBACDNBSHXZQX-CQSZACIVSA-N 335.429 1.740 0 40 EDAB O=C(Cn1nnc2ccccc21)N1CCN(Cc2ccccn2)CC1 53194698 LCMOTWIXCRWIGU-UHFFFAOYSA-N 336.399 1.171 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@H]1CCCO1)c1cccc(Br)c1 58750147 IODGHMPGYMVSMF-MNOVXSKESA-N 327.178 1.271 0 40 EDAB CCOc1c(C)cc(S(=O)(=O)NCC2(O)CCOCC2)cc1C 70638975 HIBSGGLGKDETBA-UHFFFAOYSA-N 343.445 1.522 0 40 EDAB Cc1ncc2n1C[C@@H](C(=O)NCc1cn(C)nc1C(F)(F)F)CC2 518197692 NFYFDGFHORORHU-JTQLQIEISA-N 341.337 1.823 0 40 EDAB Cc1c(Br)c(C(=O)N2CCN3CCC[C@@H]3C2)nn1C 5126415 MDMKHJCATUUBKH-SNVBAGLBSA-N 327.226 1.411 0 40 EDAB CC(C)N1N=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5148128 RKYKAUAGTLFPMB-UHFFFAOYSA-N 332.408 1.064 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 15420658 VIGBXUXZMNEQDV-UHFFFAOYSA-N 340.445 1.498 0 40 EDAB CN(C)CCn1nc([C@H]2CCN(C(=O)C3CC3)C2)c2cccnc21 19583111 MGSPTJUWOHZQAN-AWEZNQCLSA-N 327.432 1.719 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCO[C@H](C(=O)N3CCCCCC3)C2)n1 19747345 NWUJZKMIBJLWAT-INIZCTEOSA-N 348.447 1.130 0 40 EDAB O=S(=O)(NCC1CCN(C2CCOCC2)CC1)c1ccccc1 225564038 JFNCXNTUGPQPCT-UHFFFAOYSA-N 338.473 1.856 0 40 EDAB O=C(c1ccccn1)N1C[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888850356 FQQFLVADVREFOC-HUUCEWRRSA-N 335.411 1.957 0 40 EDAB O=S(=O)(N[C@H]1CCCN(c2ncnc3ccsc23)C1)C1CC1 1889119437 HRKPZAOFFLEFKO-JTQLQIEISA-N 338.458 1.742 0 40 EDAB Cc1cccc(N2CCC[C@@H](Cc3n[nH]cc3S(C)(=O)=O)C2)n1 1848355557 YWUGQERVXGYPMG-ZDUSSCGKSA-N 334.445 1.976 0 40 EDAB C[C@H]1CN([C@H](C)CNC(=O)NCc2ccc3c(c2)OCO3)C[C@@H](C)O1 31049790 CUDOCSMOJSCTLX-MCIONIFRSA-N 349.431 1.712 0 40 EDAB COc1ccc(-c2ncnc(N3CCN(C(C)=O)CC3)c2F)cc1 1776008494 IFOUURCXEHRCCZ-UHFFFAOYSA-N 330.363 1.960 0 40 EDAB COc1ccc2nnc(CNC(=O)c3ccc(-n4cccc4)cc3)n2n1 244933131 CCVVRMVVCPMPEC-UHFFFAOYSA-N 348.366 1.854 0 40 EDAB CC(=O)c1cc(C(=O)N2[C@H]3CC[C@H]2CN(Cc2cccnc2)C3)n[nH]1 1565546827 FDUIUAODXVERKL-GJZGRUSLSA-N 339.399 1.496 0 40 EDAB O=C(c1cc[nH]c1)N1CCN2CCc3c(ncn3CC3CC3)[C@@H]2C1 1565547240 MTBJDGSYJKVIGM-INIZCTEOSA-N 325.416 1.676 0 40 EDAB O=S(=O)(NCc1nnnn1C1CCCCC1)c1ccc(F)cc1 10594647 GZPUGCPEFJCHQI-UHFFFAOYSA-N 339.396 1.796 0 40 EDAB C[C@@H](O)Cn1cc2c(c1-c1ccccc1Cl)c(=O)n(C)c(=O)n2C 15106525 UNEAQFYUNHRYJD-SNVBAGLBSA-N 347.802 1.740 0 40 EDAB CCCCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713658 SKEFGLCHQLXPHI-AWEZNQCLSA-N 348.447 1.176 0 40 EDAB O=C([C@@H]1CN(c2nccn3nc(C4CC4)cc23)CCO1)N1CCCC1 1889133935 FRECOLAEQHLETN-INIZCTEOSA-N 341.415 1.434 0 40 EDAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc[nH]c2=O)cc1 40049418 LBDNPDVWCUUPCZ-QGZVFWFLSA-N 341.411 1.487 0 40 EDAB CC1CCN(C(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)CC1 148793 YOXCUBVWILLNIQ-UHFFFAOYSA-N 346.456 1.990 0 40 EDAB CC[C@@H](C)N1CC(=O)N(c2ccc(C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773618 HGUCIDSNGJIFPH-VNQPRFMTSA-N 336.457 1.608 0 40 EDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)CCCOc1ccc(F)cc1 40528560 LURBAINZWCCWMY-LLVKDONJSA-N 329.393 1.677 0 40 EDAB CCS(=O)(=O)NC1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 40527884 OFRAIHNRJOFZNZ-NSHDSACASA-N 343.276 1.501 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)N1CCO[C@H]2CCCC[C@@H]21 46493828 OHNLCVWUTVJRNW-WMZOPIPTSA-N 341.411 1.957 0 40 EDAB O=C(Cn1c(=O)c2ccccc2n2nncc12)Nc1cccc(F)c1 2688554 BWIPHULMCZEPKK-UHFFFAOYSA-N 337.314 1.822 0 40 EDAB Cc1ccc(NC(=O)Cn2c(=O)[nH]n(-c3ccccc3)c2=O)cc1C 2639094 UJNPPPQPVVAEEJ-UHFFFAOYSA-N 338.367 1.583 0 40 EDAB CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 810138 JJHMWPYHLZBRPS-NSHDSACASA-N 330.837 1.877 0 40 EDAB Cc1ccc(SCCNC(=O)CC[C@H]2NC(=O)NC2=O)cc1C 41299732 GUDLHTQCOCCLCA-CYBMUJFWSA-N 335.429 1.500 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)Nc2c[nH]ccc2=O)cc(C)c1C 32912029 XYVLQTCGGJOOQS-UHFFFAOYSA-N 335.385 1.152 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)CCc3c(C)noc3Cl)CCO2)n1 76046681 CFOHRSIZNYPPEW-LLVKDONJSA-N 339.783 1.596 0 40 EDAB CN(C)C(=O)Cc1nc(CSc2nnnn2C(C)(C)C)cs1 32922677 YEKJKESFJIIFQM-UHFFFAOYSA-N 340.478 1.808 0 40 EDAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(Cl)nc2ccccn2c1=O 405239 URFOBTCOPUMYBH-NSHDSACASA-N 348.746 1.149 0 40 EDAB CS(=O)(=O)CCNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 78985161 RVHXYFNDRYQHKG-HNNXBMFYSA-N 342.436 1.341 0 40 EDAB O=C(CCn1ccc2c(Cl)cccc21)N[C@@H]1CCS(=O)(=O)C1 79481007 YVRFDPMVLKASOQ-LLVKDONJSA-N 340.832 1.988 0 40 EDAB CC(C)(C)C(=O)NCCC(=O)N1CCC(Nc2cccnn2)CC1 84168923 GYWLMCLNCPXVIP-UHFFFAOYSA-N 333.436 1.432 0 40 EDAB CCS(=O)(=O)C[C@@](C)(Cl)C(=O)Nc1ccc(C(=O)OC)cc1 535354 SSJUITSDMGZRIG-CQSZACIVSA-N 347.820 1.844 0 40 EDAB Nc1ccccc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 6896674 RSLKARJXHZDRQW-UHFFFAOYSA-N 339.395 1.774 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 37291364 VZLMCACPMNLLLD-UHIISALHSA-N 326.418 1.594 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)cc12 22472952 UWTHFMMKGXLHOB-HNNXBMFYSA-N 336.351 1.997 0 40 EDAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(O)cc1 12390702 HKARSZJLUPVJLY-GFCCVEGCSA-N 335.385 1.051 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 56073328 WFYDGKUYQBKRTL-SNVBAGLBSA-N 348.371 1.864 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1CCC(CS(N)(=O)=O)CC1 104065458 CIQWXDZNHQOROJ-NFAWXSAZSA-N 345.509 1.070 0 40 EDAB CC[C@H](CO)NCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 8337045 YFTSPNQWRUDPCG-CQSZACIVSA-N 338.448 1.849 0 40 EDAB COCCN1[C@@H](C)CN(C(=O)c2c[nH]nc2-c2cccnc2)C[C@@H]1C 97020980 CTEWGOSSDRMXEK-KBPBESRZSA-N 343.431 1.653 0 40 EDAB COc1ccc2nc(C)c(C(=O)NCCN3CCOCC3)cc2c1 55544539 LXDJRNVQSXKETO-UHFFFAOYSA-N 329.400 1.614 0 40 EDAB NC(=O)N[C@H](CC(=O)N[C@H](C(N)=O)c1ccccc1)c1ccccc1 54704523 XBTVGUKAADGLNW-ZBFHGGJFSA-N 340.383 1.129 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc3nc[nH]c(=O)c23)C1 24602201 UDGBMLUCGMZXBY-SNVBAGLBSA-N 333.344 1.240 0 40 EDAB O=C(Nc1ccccc1-n1cncn1)C1CCN(C(=O)C2CC2)CC1 25002036 UGUIPGWIRZSOTN-UHFFFAOYSA-N 339.399 1.854 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)CN1CCCC1 55538432 TWDNTZNZFIVYNT-JKSUJKDBSA-N 331.464 1.541 0 40 EDAB CCc1nc(CNC(=O)NCC(=O)NCc2ccccc2)cs1 72271526 TXYNSGRDCMEDFL-UHFFFAOYSA-N 332.429 1.821 0 40 EDAB O=C(c1ccc(Br)o1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269084 KRLBXAOKZFWENM-MNOVXSKESA-N 343.221 1.713 0 40 EDAB O=C(COC(=O)c1ccc[n+]([O-])c1)Nc1ccccc1OC(F)F 3283211 WLXPVJQLXICYFN-UHFFFAOYSA-N 338.266 1.717 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NC[C@@H]1CCCO1)=N[C@@H]2c1ccccc1 101983167 HSVUNXDUXMTAFD-HOCLYGCPSA-N 339.399 1.649 0 40 EDAB CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCO3)n1 83847577 DETJLQVLFKEJOQ-UHFFFAOYSA-N 347.396 1.519 0 40 EDAB COC(=O)c1ncn(CN2CC=C(c3cccc(OC)c3)CC2)n1 58281156 NMNRGZMXAAGDIW-UHFFFAOYSA-N 328.372 1.820 0 40 EDAB C[C@@H](CNC(=O)c1c[nH]c2ccccc2c1=O)N1CCOC[C@@H]1C 71900323 ZYHRAVQFFYUVSM-STQMWFEESA-N 329.400 1.367 0 40 EDAB CCN(C(=O)Cn1c(-c2ccc(OC)c(OC)c2)noc1=O)C1CC1 58343440 YGRHWCPOBYROSW-UHFFFAOYSA-N 347.371 1.531 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccc(Cn3cncn3)cc2)C[C@@H](C)O1 48236997 DXZGDSGBFNZQJD-OKILXGFUSA-N 329.404 1.645 0 40 EDAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCOC2)c1 58418339 DSAKQMHXQMPVIE-LLVKDONJSA-N 326.418 1.738 0 40 EDAB CCCN(CC1CC1)C(=O)CSc1nnc(-c2ccco2)n1N 3327701 HRLVCAPQPHWBPK-UHFFFAOYSA-N 335.433 1.993 0 40 EDAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)NC(C)C)N=C2O)cc1 36593380 OXHMWULYZQFXKC-CQSZACIVSA-N 333.388 1.625 0 40 EDAB CCc1nnc(NC(=O)c2nnn(-c3ccccc3C)c2N)s1 36636108 NYFCPMJSNIQUJN-UHFFFAOYSA-N 329.389 1.824 0 40 EDAB COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 12778575 UXOYZHGTJYFPQF-GFCCVEGCSA-N 340.401 1.083 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCCC(C)C 29471428 ZUPHNZPTMHYZKZ-ZDUSSCGKSA-N 343.449 1.607 0 40 EDAB Cc1ccc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)c1 3499499 QZUCEWPIZOIIGC-UHFFFAOYSA-N 333.413 1.258 0 40 EDAB Cc1cccc(OCC(=O)OCn2nnc3ccccc3c2=O)c1C 3475517 TYZHOPBWEQHVAS-UHFFFAOYSA-N 339.351 1.988 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)c2ccccc2O1 12973099 AYOVRGKOTBHTBH-HOTGVXAUSA-N 340.335 1.106 0 40 EDAB CCOCCCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 8939690 YZFXJKGXTJJLIV-LRDDRELGSA-N 325.409 1.030 0 40 EDAB OCCn1ncc2c(NCc3cnn(-c4ccccc4)c3)ncnc21 97199728 SRLXYFNSOOBSSF-UHFFFAOYSA-N 335.371 1.616 0 40 EDAB CN(CC(=O)N1CCC(OCc2ccccc2)CC1)S(C)(=O)=O 65439688 SLKDPJNSQFLHSZ-UHFFFAOYSA-N 340.445 1.086 0 40 EDAB COc1ccc(CNCCNC(=O)c2ccco2)c(OC)c1OC 4400699 BQXJHGBYENYMJN-UHFFFAOYSA-N 334.372 1.825 0 40 EDAB Cc1cccc(NC(=O)CCNC(=O)CCNC(=O)C2CCCC2)n1 65512009 IKIJDIZOWZXGRV-UHFFFAOYSA-N 346.431 1.531 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2cccc(-n3cnnn3)c2)CC1 24064588 IWEKMCKWYQFNLK-UHFFFAOYSA-N 344.375 1.013 0 40 EDAB CC(C)OC[C@@H](O)CN1CCN(C(=O)c2cccc(Cl)c2)CC1 97100027 MLPSUXJHXNKZSP-INIZCTEOSA-N 340.851 1.884 0 40 EDAB CC(C)Cn1c(CN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 5689975 SJGRHBRESSHFTP-UHFFFAOYSA-N 333.436 1.076 0 40 EDAB C[C@@H](C(=O)Nc1ncccn1)N1CCc2c(nc(C3CC3)n2C)C1 84098637 KEFRPEZLPBWMNW-NSHDSACASA-N 326.404 1.473 0 40 EDAB Cc1ccnc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)c1 9266405 VPXVESGJVPDBNM-UHFFFAOYSA-N 337.376 1.836 0 40 EDAB CCCC[C@@H](NC(=O)CSc1nc(OC)cc(=O)[nH]1)C(C)=O 15082982 XRLBZUDQGGBUMS-SNVBAGLBSA-N 327.406 1.135 0 40 EDAB O=C(COc1ccccc1Cl)NCCCNC(=O)c1cnccn1 4985388 HIGNMVAEXNRRNB-UHFFFAOYSA-N 348.790 1.445 0 40 EDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCCc1ccccc1 5950879 NTCRAYKNNUIJRT-UHFFFAOYSA-N 340.379 1.894 0 40 EDAB CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cccnc1)c1ccco1 67764341 KPEPXSIHKNHUNQ-AWEZNQCLSA-N 330.388 1.812 0 40 EDAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)N1CCc2ccccc2C1 7692694 SLXLTJFQUIPMFX-JTQLQIEISA-N 329.429 1.707 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)c2c(=O)[nH]n(C)c2n1 70004159 PELVZGRTKYJLKL-GFCCVEGCSA-N 340.387 1.071 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H]1CCc2ccccc21 69328370 FOZRLXNXFTUINR-MRXNPFEDSA-N 336.395 1.986 0 40 EDAB CNC(=O)NC(=O)CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 69441632 CSNAXUBTNVPZIS-ZDUSSCGKSA-N 343.387 1.719 0 40 EDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)N(C)Cc2nccn2C)o1 84195242 BBCBBQYFGIVTOO-ZDUSSCGKSA-N 338.433 1.835 0 40 EDAB Cc1nnc2n1CCN(CC(=O)NCCc1cccc3ccccc13)C2 69624987 NTMMYNFJHMXJKR-UHFFFAOYSA-N 349.438 1.914 0 40 EDAB O=C1C(=O)N(C23CC4CC(CC(C4)C2)C3)C(=O)N1CCn1cncn1 69739298 KOFZBEQKXCGOCP-UHFFFAOYSA-N 343.387 1.038 0 40 EDAB O=C(c1ccc(-n2ccnc2)nn1)N1CCCC[C@H]1Cn1cccn1 69709153 JRTLCZMOWPIONM-AWEZNQCLSA-N 337.387 1.554 0 40 EDAB CCOC(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 71826985 ZKUXMDSWKNAGLF-INIZCTEOSA-N 346.427 1.680 0 40 EDAB Cc1nc(C2(NCCN3C(=O)NC(C)(C)C3=O)CCCCC2)no1 71826829 VTYRXNOZHGRQAZ-UHFFFAOYSA-N 335.408 1.457 0 40 EDAB CCN(C(=O)CN1CSCC1=O)[C@@H]1CCN(c2ccccc2)C1=O 71890966 BUNPKXHWCUSRBA-CQSZACIVSA-N 347.440 1.173 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCC(Nc4cccnn4)CC3)c2n1 71863487 SUDZDVHBIISYGZ-UHFFFAOYSA-N 337.387 1.544 0 40 EDAB Cc1cc(C(=O)N2CCN(C[C@H](C)O)CC2)c2c(C3CC3)noc2n1 71871384 UZBSFNRYZOSOHN-LBPRGKRZSA-N 344.415 1.547 0 40 EDAB Cc1noc(CCNC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 71884625 JIPVMXHSADAMIH-LBPRGKRZSA-N 338.408 1.826 0 40 EDAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC[C@H](n2cncn2)C1 71847061 OVBKMVHZQHDTNC-HOCLYGCPSA-N 339.399 1.495 0 40 EDAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCn2ccnc2C1 97201044 CLUQCNQSQKBAIY-UHFFFAOYSA-N 339.399 1.463 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@H](C)CO)CCCC2)c1 97204304 FZJVDYDOIPTULY-CQSZACIVSA-N 339.457 1.887 0 40 EDAB COc1cc(CNC(=O)NCc2cnn(C)c2)c2ccccc2n1 84318519 VTQORUQAOOEALA-UHFFFAOYSA-N 325.372 1.976 0 40 EDAB CCN(C[C@H]1CN(Cc2c(C)noc2C)CCO1)c1cccnn1 84774646 CMUJUAQVZNZPSJ-OAHLLOKOSA-N 331.420 1.809 0 40 EDAB Cc1nccn1CCCNC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 95447203 UBEFOCWDTBAYFL-LBPRGKRZSA-N 347.385 1.860 0 40 EDAB Cn1c(NC(=O)CC2(CS(C)(=O)=O)CC2)nc2cc(F)ccc21 95406020 QMNNURSLWZNCFK-UHFFFAOYSA-N 339.392 1.866 0 40 EDAB COC(=O)N1CCC(NC(=O)NCCc2cnc(C3CC3)nc2)CC1 95440263 XKZJXSCKRMNAPJ-UHFFFAOYSA-N 347.419 1.427 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)NCc1c(F)c(F)cc(F)c1F 95436995 AZYGTTNNXVNKNE-JTQLQIEISA-N 333.285 1.663 0 40 EDAB Cn1cc(N2CCC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3CO)C2)cn1 98016392 CGXFJLOZCOSADS-IJEWVQPXSA-N 335.452 1.239 0 40 EDAB Cc1cnc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)s1 89702423 GQTUEBAXZPDWRX-CYBMUJFWSA-N 331.397 1.818 0 40 EDAB CC(=O)N1CCN(Cc2cccc(NC(=O)c3ccoc3)n2)CC1 89881943 SCYDDUVCBNPSEX-UHFFFAOYSA-N 328.372 1.591 0 40 EDAB CS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1 75552629 RODAJIYDQCRCNV-CYBMUJFWSA-N 348.428 1.801 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N[C@H](CC(=O)O)C1CCOCC1 547616028 RLZJKIDOPRYKJI-CYBMUJFWSA-N 345.392 1.682 0 40 EDAB O=C(NC[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1)[C@H]1CCCN1 122031535 FKGZOYWSBOCXNQ-WFJXPABVSA-N 341.455 1.807 0 40 EDAB COC(=O)[C@H](C)NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 1907651 XWKTXAIXPJTINP-WDEREUQCSA-N 333.340 1.546 0 40 EDAB biogenic CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C)c(C)c2)s1 36182771 ZIVIMOFKQLFIAV-UHFFFAOYSA-N 326.403 1.914 0 40 EDAB Cc1nc(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)c2ccccn12 78085925 WKGAIDLHZYHNMT-UHFFFAOYSA-N 342.321 1.735 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC(C)C 217407624 VPDDTFOWRNUPFR-UHFFFAOYSA-N 330.406 1.520 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)N2CCc3ccccc3C2)C1 78928770 ZFCWCUIECYZSCY-RHSMWYFYSA-N 345.443 1.780 0 40 EDAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CC(N2C(=O)CCC2=O)C1 238890621 QOKYLIOMGDOHDA-UHFFFAOYSA-N 340.301 1.608 0 40 EDAB Cn1cccc1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C1CC1 62018301 XNUMYMDOAXOOQX-UHFFFAOYSA-N 339.461 1.188 0 40 EDAB C[C@H]1Oc2ccc(S(=O)(=O)NCc3ccccc3)cc2NC1=O 71542753 CNLWTYXUIXVYTA-LLVKDONJSA-N 332.381 1.885 0 40 EDAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C)c1 223671864 AGJDHVFFTDRHPS-CVEARBPZSA-N 344.440 1.956 0 40 EDAB O=C(Nc1nccs1)C1CCN(C(=O)c2ccc(O)nn2)CC1 42383202 KXXABJOUMMLDJF-UHFFFAOYSA-N 333.373 1.130 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1Cl 226749003 SGKBVJPAWAKTTO-UHFFFAOYSA-N 334.825 1.542 0 40 EDAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1OC 222491984 MKPBSJITNRALDA-XRGAULLZSA-N 347.367 1.017 0 40 EDAB COc1ccccc1OCc1cn(CC(=O)Nc2cnn(C)c2)nn1 227161230 ZMTPRNXICXQAON-UHFFFAOYSA-N 342.359 1.238 0 40 EDAB CS(=O)(=O)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 96207849 MOPSZGXQHKMXTI-CQSZACIVSA-N 340.445 1.539 0 40 EDAB C[C@]1(CNC(=O)N2CCNC(=O)C2)CCCN1Cc1ccccc1 97102726 RMXKNPQMJSGOPG-GOSISDBHSA-N 330.432 1.183 0 40 EDAB CC(C)C[C@@H](O)CNC(=O)c1cncc(I)c1 95441325 KOWPYGINXLGHSC-LLVKDONJSA-N 348.184 1.823 0 40 EDAB Cn1cccc1C(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1 96066854 HPQYKAKXJYRXGM-HNNXBMFYSA-N 328.416 1.920 0 40 EDAB O=C(CN1CCC[C@@](O)(Cn2ccnn2)C1)N(C1CCCC1)C1CC1 583278611 UEOHVYSWEAKUGG-SFHVURJKSA-N 347.463 1.039 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2cnccn2)[C@H]1Cc1ccncc1 96200762 REVPYRBSOMSJCC-IRXDYDNUSA-N 342.399 1.360 0 40 EDAB CC(=O)N1C[C@H](c2nc[nH]n2)c2cc(C(=O)NCC(C)C)ccc21 96267743 MNHNIXOKJFRQFE-AWEZNQCLSA-N 327.388 1.689 0 40 EDAB Cc1[nH]ncc1C(=O)NC[C@H]1CC(=O)N(CCc2ccccc2)C1 96466850 FFZKJEYFSAZPND-OAHLLOKOSA-N 326.400 1.539 0 40 EDAB COCC(=O)N1CCn2c(COCc3ccncc3)cnc2[C@@H]1C 96208985 WWYQXIPELZWERI-ZDUSSCGKSA-N 330.388 1.545 0 40 EDAB CN(C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H]1COC[C@H]1O 583651768 SIMSTGMBWRRMOD-GMTAPVOTSA-N 342.358 1.524 0 40 EDAB Cc1cc(C(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)nc(C)n1 583618974 NUEDRQKRUBMZKF-QGZVFWFLSA-N 344.419 1.390 0 40 EDAB Cc1ccnc(-n2cc(S(=O)(=O)Nc3onc(C)c3C)cn2)c1 95452254 GZXPTCQNZZYRPE-UHFFFAOYSA-N 333.373 1.981 0 40 EDAB O=C(O)CN(C(=O)c1csc(C(F)(F)F)n1)C1CCOCC1 583934888 ZQQOIIFYFHCHOU-UHFFFAOYSA-N 338.307 1.868 0 40 EDAB CCn1cc2c(n1)CN(S(=O)(=O)c1cccnc1)C[C@H]2COC 96045193 DXMJPHFFXROHRL-LBPRGKRZSA-N 336.417 1.233 0 40 EDAB CN1CCN(C(=O)C[C@H]2C[C@H]3CN(Cc4ccccc4)C[C@H]3O2)CC1 96208429 LFAMULWCOHCROB-IPMKNSEASA-N 343.471 1.440 0 40 EDAB NC(=O)c1cc(N2CCCN(C(=O)Oc3ccccc3)CC2)ncn1 585092822 PIMDZOTUQKYWHN-UHFFFAOYSA-N 341.371 1.287 0 40 EDAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(Cc3nccs3)[C@H]2C1 248006068 OKMWCZXKRUVETE-IHRRRGAJSA-N 339.461 1.227 0 40 EDAB Cc1cc(CNC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)no1 585121133 GRTKMWDEKUZMOB-WBMJQRKESA-N 339.392 1.360 0 40 EDAB Cc1cc(C)c(N2CC[C@H](N3CCN(CCO)[C@H](C)C3)C2=O)c(C)c1 252536816 JPZLPRDFSHRVDW-MSOLQXFVSA-N 345.487 1.716 0 40 EDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)Cn1c(C)nc2ccccc21 257344244 ZWGDMTRSNWZQMC-MRXNPFEDSA-N 339.399 1.976 0 40 EDAB Cc1cc(O)nc(N2CCC(NC(=O)/C=C/c3ccco3)CC2)n1 253537453 ZUPYOMJGLSYXND-SNAWJCMRSA-N 328.372 1.882 0 40 EDAB CN1CCCN([C@H]2CCN(C(=O)c3ccc(F)cc3)CC[C@@H]2O)CC1 257337688 YTZDPJFEZVLNDF-ROUUACIJSA-N 349.450 1.429 0 40 EDAB C[C@H](Cc1ccccc1F)NC(=O)[C@H](CO)NC(=O)c1ccccc1 252484284 FTOHZTARPVAHKO-DYVFJYSZSA-N 344.386 1.664 0 40 EDAB COc1ccc(OCC(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 257218087 DBVDWDAYRGOEPB-QZTJIDSGSA-N 343.379 1.725 0 40 EDAB CCn1cc(CN2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)c(C)n1 257317731 VKXNPECAHHKYEQ-GFCCVEGCSA-N 337.449 1.328 0 40 EDAB Cc1nc(CC(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)cs1 257327425 XBHHQRSJZXUTGI-KRWDZBQOSA-N 346.456 1.537 0 40 EDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCOCC1 257245282 IOUVWPUTMZOELI-MJQMVNBJSA-N 349.475 1.099 0 40 EDAB O=C(NCc1nn[nH]n1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 599376678 HIFUNRZNRDOHFN-UHFFFAOYSA-N 346.354 1.377 0 40 EDAB CC(C)CC(=O)N1Cc2ccnn2[C@H](C(=O)NCC2CCOCC2)C1 575404397 NJYIUOYFZOYZHS-INIZCTEOSA-N 348.447 1.355 0 40 EDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)C2(F)CCC2)C3)n1 575403297 HOKHVOOAJIIALZ-ZDUSSCGKSA-N 335.379 1.816 0 40 EDAB O=S1(=O)C=C[C@H](NC(=S)NCCc2c[nH]c3ccccc23)C1 575422112 MHWSXNGSPOEGMG-LBPRGKRZSA-N 335.454 1.485 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)[C@@H]1O 585283466 AWQNGBCVDOUQKK-XFJVYGCCSA-N 343.807 1.166 0 40 EDAB CC(C)C(=O)Nc1cccc(NC(=O)[C@H](C)N2CCN(C)CC2)c1 84370641 BRRWTWJCEQANTQ-AWEZNQCLSA-N 332.448 1.856 0 40 EDAB COCCn1c(O)cc2c(cnc3nc(-c4ccccc4)nn32)c1=O 1548338218 JGUSZQDZQZINLB-UHFFFAOYSA-N 337.339 1.458 0 40 EDAB CCn1c(N2CCC[C@H](C(=O)NCC(=O)OC)C2)nc2ccccc21 12145838 FVYGTQAJBBZOLS-ZDUSSCGKSA-N 344.415 1.562 0 40 EDAB Nc1cc(-c2ccco2)nn(CC(=O)NC2CCCCCC2)c1=O 12146622 OQUCMTYQSCMOHR-UHFFFAOYSA-N 330.388 1.925 0 40 EDAB CCCS(=O)(=O)c1ccccc1C(=O)NCCCn1ccnc1 12865477 YATYDPKPKNJPLI-UHFFFAOYSA-N 335.429 1.887 0 40 EDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(OC)c1OC 13125250 HORCHUAREDLTFE-CYBMUJFWSA-N 345.359 1.542 0 40 EDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(Sc2ncccn2)o1 19575920 MVIJQFAVAILYQB-BFHYXJOUSA-N 346.456 1.860 0 40 EDAB CNC(=O)CN1CCOC[C@H](Cc2ccc3c(ccn3C(C)=O)c2)C1 607854598 LOBHTVMXNIVUKB-MRXNPFEDSA-N 343.427 1.538 0 40 EDAB Cc1cc(C(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)no1 252572573 ZLDAVEZSZRSANM-UHFFFAOYSA-N 329.356 1.691 0 40 EDAB COc1ccc(O)c(C(=O)OCN2C(=O)c3ccccc3C2=O)c1 9365696 XYGQZKWLSFXESV-UHFFFAOYSA-N 327.292 1.811 0 40 EDAB Cc1nc(N2C[C@H]3CN(c4cc(=O)n(C)c(O)n4)C[C@@H]3C2)sc1C 1888833985 AGXFJKIJMLZFRB-VXGBXAGGSA-N 347.444 1.132 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCc2cccnc2N2CCOCC2)c1 31328201 ZKVPTHVDSVNADL-UHFFFAOYSA-N 328.372 1.379 0 40 EDAB Cc1cnc(OC[C@H]2CCCN(c3ncnc4c3ncn4C)C2)nc1 1776000743 HYBPZUPYCNIKOI-ZDUSSCGKSA-N 339.403 1.757 0 40 EDAB COc1cc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)C3)on1 1565544517 MTWAACBUHGUBCY-UHFFFAOYSA-N 333.388 1.548 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)CS[C@@H](C)C1=O 2711139 JWSZFXVQDSVBGH-QMMMGPOBSA-N 342.804 1.778 0 40 EDAB O=C(c1cccc(Cl)n1)N1CC[C@]2(C[C@@H](n3cnnc3)CO2)C1 2055837458 DIQKFIJWUDRBMR-ABAIWWIYSA-N 333.779 1.573 0 40 EDAB CCOc1ccc(O[C@H](C)C(=O)NCCCn2ncccc2=O)cc1 23241862 FFYCQFQXCJLVJS-CQSZACIVSA-N 345.399 1.616 0 40 EDAB O=C(O)c1ccccc1NCN1C(=O)c2ccccc2S1(=O)=O 27024002 FTOYHKHIMHVTSU-UHFFFAOYSA-N 332.337 1.599 0 40 EDAB O=C(N[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1ccncc1F)c1ccno1 503824206 BOPBAXOHFFDFED-JIMOISOXSA-N 330.319 1.384 0 40 EDAB Cn1nc(-c2ccc(Cl)c(Cl)c2)nc2c(=O)n(C)c(=O)nc1-2 487593 WXPVEFQJXLQDFO-UHFFFAOYSA-N 338.154 1.348 0 40 EDAB biogenic O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(O)nn1 40541566 SMTWBJFTYWKONP-UHFFFAOYSA-N 327.388 1.888 0 40 EDAB Cc1ccc(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)NC2CC2)c(C)c1 40555235 QIXZPINRPLUBGD-ZDUSSCGKSA-N 347.440 1.930 0 40 EDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC 20763158 IQSBCZBTKJTWAS-MRXNPFEDSA-N 344.371 1.248 0 40 EDAB biogenic O=C(Nc1ccc(-n2ccnn2)cc1)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO 101547540 JQVYPMMBSRBMNZ-GVAFMPQTSA-N 327.388 1.796 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C1 41132530 FXTSUCYZQVYSCO-NSHDSACASA-N 333.388 1.826 0 40 EDAB Cc1ccccc1N1C(=O)c2sc3nc(=O)c(C)nn3c2C1=O 113471 NGEHQHADQMWSKS-UHFFFAOYSA-N 326.337 1.568 0 40 EDAB CCC(=O)Nc1cccc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1 72290321 CAQNXFIWHIWCDH-NWDGAFQWSA-N 338.429 1.683 0 40 EDAB Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(C)n1C 2639750 HCPBBJUTWOJSEF-MRXNPFEDSA-N 339.395 1.988 0 40 EDAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(F)c1 983094 NBGFLGQHPIBCHE-YWPYICTPSA-N 340.420 1.897 0 40 EDAB O=C1OCCN1CCS(=O)(=O)c1nccn1-c1cccc(F)c1 78442018 DALWZPGAEJDPMF-UHFFFAOYSA-N 339.348 1.237 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)cs1 78889358 PXSOAZBBRVTIGA-GFCCVEGCSA-N 335.433 1.836 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)CCOCC(F)(F)F)CCO2)n1 78888766 OEAIVSHINGIQJD-SECBINFHSA-N 336.314 1.236 0 40 EDAB CN1CCC(CNC(=O)NC[C@@H]2CCCO2)(N2CCCCC2)CC1 78933063 UUGGNQHONDGVDM-INIZCTEOSA-N 338.496 1.415 0 40 EDAB Cc1ncccc1C(=O)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 78997097 HSKWGMUEFKZSBV-MRXNPFEDSA-N 344.459 1.549 0 40 EDAB C[C@@H](CO)NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 41378356 AFPCDOAZGJFPNO-JTQLQIEISA-N 334.401 1.007 0 40 EDAB COCCNC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 3602482 HQMRSGUTBUPKGL-UHFFFAOYSA-N 337.357 1.320 0 40 EDAB CCOC(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1 4093044 FPWGGTZNLQQSQH-UHFFFAOYSA-N 347.400 1.549 0 40 EDAB COC(=O)CCCC[C@H]1SC[C@@H](NC(=O)OC)[C@@H]1NC(=O)OC 4610623 PIBDLFSMWIKWTO-FOGDFJRCSA-N 348.421 1.284 0 40 EDAB NS(=O)(=O)c1ccccc1/C=C\c1ccccc1S(N)(=O)=O 4701570 DYIVXJTVYOACKX-KTKRTIGZSA-N 338.410 1.152 0 40 EDAB CC[C@@H]1CN(CC(=O)NCCc2ccsc2)CCN1C[C@@H](C)O 72279783 MFESKHGLHODKCU-GDBMZVCRSA-N 339.505 1.184 0 40 EDAB CCC(=O)N(c1ccc(OC)cc1OC)[C@H]1C=CS(=O)(=O)C1 6805816 AJPASCONEODWNG-NSHDSACASA-N 325.386 1.758 0 40 EDAB NC(=O)CN(C(=O)c1cncc(Br)c1)C1CCCC1 47236126 ZTAAULRWWZOWHL-UHFFFAOYSA-N 326.194 1.714 0 40 EDAB CCOc1ccc(-n2ncc(C(=O)NC[C@@H]3CCOC3)c2C)nn1 47213031 UQJCSXMCPBMJBZ-LBPRGKRZSA-N 331.376 1.136 0 40 EDAB COc1ccc(SCC(=O)Nc2nc(CC(N)=O)cs2)cc1 8726209 KPMBLAPDJAPHFI-UHFFFAOYSA-N 337.426 1.910 0 40 EDAB O=C1CCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CCN1 54257099 XDQHDYYNQGPDHC-UHFFFAOYSA-N 330.432 1.437 0 40 EDAB CCCCC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23231276 NLZNPACNONPKQF-UHFFFAOYSA-N 328.420 1.497 0 40 EDAB O=C1C[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)n2ncnc2N1 9168807 CNNWYGUCETWWAJ-VIFPVBQESA-N 341.249 1.699 0 40 EDAB O=S(=O)(Nc1noc(C2CC2)n1)c1cnn(-c2ccccc2)c1 97135135 LOUQQOYRJRTQFM-UHFFFAOYSA-N 331.357 1.934 0 40 EDAB CN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccco1 24880347 ILBVOVCNZMZXHR-UHFFFAOYSA-N 348.403 1.387 0 40 EDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100184811 GENUUNAQQVCPOX-YHUYYLMFSA-N 327.336 1.731 0 40 EDAB CCOC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)c1 25136169 DJZXBFKTHOQWNH-SNVBAGLBSA-N 349.343 1.352 0 40 EDAB CCN(c1cccc(F)c1)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 55663092 DNZGLDMKZWJPEO-UHFFFAOYSA-N 339.392 1.739 0 40 EDAB COc1ccc(F)cc1CN1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 72300784 SKQMGGFZAHYOJX-SJCJKPOMSA-N 335.379 1.644 0 40 EDAB COc1cc2c(cc1OC)CCN(C(=O)c1ccc(=O)n(C)n1)CC2 56461966 YJWNYIWFINQGTH-UHFFFAOYSA-N 343.383 1.039 0 40 EDAB C[C@@H]1CN(CC(=O)NCCOc2ccc(Cl)cc2)C[C@@H](C)O1 24950509 SMIXZKKUXPJULE-CHWSQXEVSA-N 326.824 1.944 0 40 EDAB O=C(Cc1ccccn1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 107207669 MBDQARRLNUTZTE-GJYPPUQNSA-N 339.395 1.857 0 40 EDAB CCOc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)ccc1OC 44719524 ZAJYYWADNNKVCI-LLVKDONJSA-N 327.402 1.258 0 40 EDAB C[C@]1(c2cccs2)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 48345625 ULEWAXZDQCFLQM-SJKOYZFVSA-N 346.408 1.955 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)c(Cl)c1 58268675 YWCRPUZOUNZDHW-NXEZZACHSA-N 347.820 1.925 0 40 EDAB Cc1sc2nc([C@H](C)Sc3n[nH]c(=O)n3C)[nH]c(=O)c2c1C 48346054 QHGFDZNEGXBJSV-ZETCQYMHSA-N 337.430 1.877 0 40 EDAB CN(C)C(=O)[C@H]1CN(Cc2ccn(C)c(=O)c2)c2ccccc2O1 44976091 SBHBPWSVIZTNBR-MRXNPFEDSA-N 327.384 1.241 0 40 EDAB CCOc1ccc([C@@H](C)NC(=O)C2=NN(C)C(=O)CC2)cc1OC 44915917 VLWZMAJRDSZXOX-LLVKDONJSA-N 333.388 1.879 0 40 EDAB C[C@@H](C(=O)N1CCCC1)S(=O)(=O)Cc1noc(C(C)(C)C)n1 44938711 ZMIWWMFURWZPLL-JTQLQIEISA-N 329.422 1.293 0 40 EDAB CCCn1nc(C(=O)NC[C@@H](O)c2cccc(Cl)c2)ccc1=O 44919240 KUFORWIPSOGGGL-CQSZACIVSA-N 335.791 1.770 0 40 EDAB CCNC(=O)NC(=O)CNc1ccc(C(=O)N(C)C)c(Cl)c1 58442070 WVDRIEYYUYGCNH-UHFFFAOYSA-N 326.784 1.299 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1 3435457 BDTWFJMHPISNCR-UHFFFAOYSA-N 338.335 1.566 0 40 EDAB O=C(CN1CCN(C(=O)Nc2ccccc2F)CC1)N1CCCC1 28802048 RFXSHAQHXUGSQK-UHFFFAOYSA-N 334.395 1.598 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 11546566 JZSLCYQWNAYLMH-DYVFJYSZSA-N 340.383 1.354 0 40 EDAB Cc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)nc1 29437644 CKZGQBNCKJJQKG-AWEZNQCLSA-N 341.346 1.588 0 40 EDAB CCOC(=O)C1=C(COC(=O)CCc2ccsc2)NC(=O)NC1 12980450 NBPUDUKJWKTPCK-UHFFFAOYSA-N 338.385 1.354 0 40 EDAB O=C(O)c1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1O 8880095 GWIAYBQIWRZRIQ-CQSZACIVSA-N 327.292 1.811 0 40 EDAB biogenic CC(C)CCn1c(N2C[C@@H](C)C[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 13574637 OICXPTLZOSEFAO-BETUJISGSA-N 347.463 1.952 0 40 EDAB C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1ccccc1 9743387 ICCHHKNVIJBMCN-GFCCVEGCSA-N 337.339 1.846 0 40 EDAB CC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2)CC1 39404104 HJIKYEGRXYPAHZ-AWEZNQCLSA-N 330.384 1.996 0 40 EDAB Cc1cccc(NC(=O)CSc2nncc(=O)n2N)c1Cl 27546366 WFYXRNWLWUASRR-UHFFFAOYSA-N 325.781 1.045 0 40 EDAB O=C1C[C@@H](c2ccccc2)N(C(=O)NCCc2ccccn2)CCN1 65530089 RUTCMBCWYAKUQZ-KRWDZBQOSA-N 338.411 1.897 0 40 EDAB CNC(=O)CCN(C)C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 65503809 ABNWSMPXPHFXMY-CQSZACIVSA-N 331.416 1.251 0 40 EDAB CN(C)C1CCN(C(=O)Cc2csc(-c3ncccn3)n2)CC1 65552545 VHMXZPNJJNUNRR-UHFFFAOYSA-N 331.445 1.695 0 40 EDAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 14122362 AAZLNYWJUVVKEK-QGZVFWFLSA-N 329.356 1.548 0 40 EDAB O=C(CN1CCO[C@@H]2CCC[C@@H]21)N1CCN(Cc2ccsc2)CC1 79354319 CBLYKZZHJXMRLP-DLBZAZTESA-N 349.500 1.646 0 40 EDAB CCS(=O)(=O)NCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 65605820 QRYHVWCNRZPKGZ-DLBZAZTESA-N 346.452 1.999 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NC2CCSCC2)c1C 66576993 YIMNCGQSWXBHDW-UHFFFAOYSA-N 329.443 1.956 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)NCc1ccccc1CN(C)C 6847237 SKIFQDJSQUVDRR-ZDUSSCGKSA-N 329.400 1.776 0 40 EDAB CCS(=O)(=O)N(C)C1CCN([C@@H](C)C(=O)NC(C)(C)C)CC1 66880663 UARMRMJQEMDINF-LBPRGKRZSA-N 333.498 1.036 0 40 EDAB COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(N)cc(N)n2)cc1 4931386 AOULMZKKONBJIN-MRVPVSSYSA-N 347.400 1.547 0 40 EDAB Cc1nn(CC(=O)N2CCC(C)CC2)c(C)c1S(=O)(=O)N(C)C 7024236 HYFPUIMAWAKNCG-UHFFFAOYSA-N 342.465 1.009 0 40 EDAB O=C(CSCCN1C(=O)c2ccccc2C1=O)NCC(F)(F)F 7094019 ZLDDZMIJNBMWNN-UHFFFAOYSA-N 346.330 1.694 0 40 EDAB CCC(C)(C)NC(=O)COC(=O)c1ccccc1S(=O)(=O)CC 7381526 CBLLQUOIBAVEIF-UHFFFAOYSA-N 341.429 1.942 0 40 EDAB CCCn1c(N)c(C(=O)CN2CCC[C@@H]3CCCC[C@@H]32)c(=O)[nH]c1=O 7587764 YOQYIVCBJHNJAE-STQMWFEESA-N 348.447 1.366 0 40 EDAB O=C(Cc1n[nH]c2ccccc12)NC[C@@H](O)COc1ccc(F)cc1 84593190 YKSIAISVIFQTDU-CYBMUJFWSA-N 343.358 1.801 0 40 EDAB O=C(CSc1nncs1)N[C@H]1CCN(c2ccccc2)C1=O 68199932 HOFDWROYBSLPDH-NSHDSACASA-N 334.426 1.552 0 40 EDAB Cc1cc(C)n2c(SCC(=O)NCc3cccnc3)nnc2n1 35315233 MDDQCUOUUMVBQU-UHFFFAOYSA-N 328.401 1.545 0 40 EDAB Cc1oc(CO)cc1C(=O)OCC(=O)Nc1sccc1C(N)=O 9453318 SXUFFMFCFUJSDH-UHFFFAOYSA-N 338.341 1.036 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N(C)C 8371393 YSDUVASZTAOWBI-AWEZNQCLSA-N 340.807 1.726 0 40 EDAB CC(C)C(=O)NCCNC(=O)[C@H](C)NC(=O)CC1CCCCC1 69452495 OGDLAEKQFYMZMN-ZDUSSCGKSA-N 325.453 1.350 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCc1ccc2c(c1)OCCO2 69414218 BXGBLIOCFWISFZ-CHWSQXEVSA-N 349.431 1.603 0 40 EDAB NS(=O)(=O)NCC1(c2ccc(Br)cc2)CCOCC1 69443996 ZPSIWCGKJJNRKC-UHFFFAOYSA-N 349.250 1.290 0 40 EDAB CCc1noc([C@H](C)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 69418250 WVTDUGKGVQBAFA-XJKSGUPXSA-N 343.431 1.537 0 40 EDAB O=C(CCNC(=O)c1n[nH]c2ccccc12)NCCc1ccccn1 69452958 ADYCIWAECNTHIX-UHFFFAOYSA-N 337.383 1.437 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@@H](C)c2c(C)nn(C)c2C)c1C 96427820 DEDWGMSDPQKSAC-JTQLQIEISA-N 339.465 1.910 0 40 EDAB COc1cncc(N2CCN([C@@H]3Cc4ccccc4[C@H]3O)CC2)n1 97034115 QPPYTUVXHVNZBK-CRAIPNDOSA-N 326.400 1.266 0 40 EDAB CN1N=C(C(=O)Nc2c(-c3ccc(F)cc3)ncn2C)CCC1=O 69508098 ZDICWFFQRMMYPY-UHFFFAOYSA-N 329.335 1.773 0 40 EDAB CN1C(=O)C(=C2C[C@@H](c3ccc(Cl)cc3)NN2)C(=O)N(C)C1=O 8511921 DCUZLMUDNWZWNW-JTQLQIEISA-N 334.763 1.184 0 40 EDAB CC(C)Oc1ccc(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)cn1 69743406 LGCNBCHFLGPUES-MRXNPFEDSA-N 346.475 1.767 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H]1Cn1cccn1 69893082 FCXQFUOYWGOBMN-ZDUSSCGKSA-N 326.356 1.482 0 40 EDAB C[C@H](CNC(=O)CCc1nc(-c2ccco2)no1)N1CCN(C)CC1 71867428 UKVYNYJGCCLTDY-CYBMUJFWSA-N 347.419 1.014 0 40 EDAB COc1ccc(NC(=O)NCc2ccccn2)cc1-n1nnnc1C 71855049 PUJMSLOKHRRODB-UHFFFAOYSA-N 339.359 1.696 0 40 EDAB COc1ccc(CC(=O)N2CCC[C@@H](N3CCNC3=O)C2)c(OC)c1 71830584 MCXLMKMRWVUZCL-CQSZACIVSA-N 347.415 1.263 0 40 EDAB C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)S(=O)(=O)c1ncc[nH]1 95425631 WSENXTRNRNJSPS-NWDGAFQWSA-N 333.413 1.940 0 40 EDAB COc1nc(N2CCCCCC2)nc(N2CCc3cncnc3C2)n1 95409488 SELFFADNNANTTP-UHFFFAOYSA-N 341.419 1.613 0 40 EDAB CN(Cc1nccn1C(F)F)[C@H]1CCCN(c2cnn(C)c2)C1=O 98015973 JQFSKYYCDJWQOU-LBPRGKRZSA-N 338.362 1.639 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](C(=O)O)C1)C1CCN(c2cnccn2)CC1 95991877 IBEDIVGTJPEQOO-ZIAGYGMSSA-N 332.404 1.453 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccncc3)C[C@@H]1C2 306123754 AVSCJEIGXWMWJL-LSDHHAIUSA-N 340.431 1.116 0 40 EDAB CC(C)NC(=O)CN(C)c1ncccc1I 95961962 USSXLMVDXDLIAT-UHFFFAOYSA-N 333.173 1.647 0 40 EDAB CC1(C)Oc2ccc(NC(=O)N3CCN4C(=O)NC[C@H]4C3)cc2O1 75107878 NVSCCJZQIGHYEI-NSHDSACASA-N 332.360 1.435 0 40 EDAB CCn1cc(NC(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)cn1 75121583 TYKGZLPJJGYYLM-UHFFFAOYSA-N 338.371 1.538 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@@H](O)c2ccccc2F)c(=O)[nH]1 75111333 VHKSENZUWDYRJW-OAHLLOKOSA-N 333.363 1.664 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@@H]2Cc3ccccc3O2)c(=O)[nH]1 75111227 UUECHGVEQIBKCF-AWEZNQCLSA-N 327.384 1.795 0 40 EDAB CN(C(=O)OC(C)(C)C)[C@H]1CCN(CC(=O)NC2CCOCC2)C1 75104993 ONWXSUGIEABPMU-AWEZNQCLSA-N 341.452 1.223 0 40 EDAB O=C(N[C@H](Cc1ccccc1)C(=O)NCC1(CO)CC1)c1ccco1 89829982 REIKCBLHASJNST-OAHLLOKOSA-N 342.395 1.509 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(Cc3cn4ccsc4n3)C2)C1=O 89869861 MSSXPMZSBFZOGK-OAHLLOKOSA-N 333.417 1.301 0 40 EDAB CC(C)c1ccc([S@@](=O)CC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 89893439 WMNPDAZVRATHMN-QKFKETGDSA-N 336.457 1.642 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2c(C)nc3ccccc3c2=O)C[C@H]1N(C)C 89948451 MVLZNOASOXBXRS-RHSMWYFYSA-N 342.443 1.504 0 40 EDAB COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CCC(=O)N(C)C2)C1 121376360 AOOITOHYYXBAPQ-KGLIPLIRSA-N 346.431 1.194 0 40 EDAB CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cncc(F)c2)C12CCOCC2 547439288 ZLPAPFYJEUKXPB-ZIAGYGMSSA-N 344.408 1.473 0 40 EDAB CCCNC(=O)C1=CC(c2ccccc2OC)=NS(=O)(=O)N1C 20595222 KUBSWLYLIQIWQD-UHFFFAOYSA-N 337.401 1.085 0 40 EDAB CCNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)COC)cc1 408592326 JXSGHKZUIYCRRQ-LBPRGKRZSA-N 328.434 1.069 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 409302702 FDOWKVAJEGPZLP-UMPJEAMMSA-N 347.754 1.716 0 40 EDAB CC(C)CCn1cc(S(N)(=O)=O)c(I)n1 408717558 HTNKBLMRKCPEAM-UHFFFAOYSA-N 343.190 1.181 0 40 EDAB Cn1cc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)nn1 521132469 DJIBKYVAYRAWHV-UHFFFAOYSA-N 336.373 1.193 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 72378764 DCRUNJODKIXUPU-CYBMUJFWSA-N 335.433 1.253 0 40 EDAB COc1cc(CNC(=O)NCc2cnn(CC(F)(F)F)c2)ccn1 532173159 SCDVSPKHFRNFOG-UHFFFAOYSA-N 343.309 1.848 0 40 EDAB O=C1NC(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)S1 210896643 PRRHRDAZQAVYAI-UKTHLTGXSA-N 348.380 1.248 0 40 EDAB CN(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCSC1 534478643 XTCVIQCYUJGBNR-LBPRGKRZSA-N 343.474 1.023 0 40 EDAB Cc1cc(=O)oc2ccn(CCC(=O)Nc3nccs3)c(=O)c12 1547211197 XVIIYWYFIWSZNE-UHFFFAOYSA-N 331.353 1.748 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)cc1 33028698 AJOQJINLGGLKDG-CHWSQXEVSA-N 340.445 1.763 0 40 EDAB C[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)C1 38488281 BARXONUUMPNFDG-DOMZBBRYSA-N 329.400 1.776 0 40 EDAB biogenic COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)C 78700790 FWBRIQLHNRZMJA-UHFFFAOYSA-N 326.418 1.572 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)[C@@H](C)n3cccn3)n2)cn1 225816863 HQCCZRBBLIOMGW-LLVKDONJSA-N 342.359 1.604 0 40 EDAB CO[C@H](C)CS(=O)(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C 195454666 IFFRVLWBRLGQLN-LZWOXQAQSA-N 326.462 1.461 0 40 EDAB CCOC(=O)CN1C(=O)N[C@](CC)(c2ccc(OC)c(C)c2)C1=O 82238062 BEVMRTXEKOXMEP-QGZVFWFLSA-N 334.372 1.724 0 40 EDAB NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1sccc1Cl 571493894 XSSLVUBWEQYSIJ-WEDXCCLWSA-N 334.850 1.676 0 40 EDAB Cc1cccc2nc(CN3CCOC[C@@H]3c3cccn3C)cc(=O)n12 131929203 ZCMUVSKVKIBXTO-QGZVFWFLSA-N 338.411 1.915 0 40 EDAB CCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 223288701 SLHIIEGVKOVLPY-UHFFFAOYSA-N 346.821 1.742 0 40 EDAB Cc1nc(Nc2ccc(N3CCOCC3)nc2)c2cnn(C)c2n1 44978621 FPHPQWVJNFXMIA-UHFFFAOYSA-N 325.376 1.647 0 40 EDAB CCn1cc([C@@H]2CN(C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)CCO2)cn1 225626039 DTSQQZXLOCKICW-UNEWFSDZSA-N 347.463 1.611 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 225450725 DOSXQMMECIMEFQ-CQSZACIVSA-N 334.401 1.133 0 40 EDAB C[C@H]1CCCc2nc(S(=O)(=O)Nc3cnn(C)c3C(=O)O)cn21 576568576 WBPMURDRHCNYIZ-QMMMGPOBSA-N 339.377 1.013 0 40 EDAB O=C(c1ccsc1)N1CCOC[C@@]2(CC[C@@H](Cn3cncn3)O2)C1 96063451 RNACGDCGEBBXHG-GOEBONIOSA-N 348.428 1.430 0 40 EDAB COc1ccc2nc(C)cc(C(=O)NC[C@H]3CN(C)CCN3C)c2c1 96423698 MFALTINTEVGMHQ-AWEZNQCLSA-N 342.443 1.527 0 40 EDAB O=C(NCC1(CO)CC1)c1nnn(-c2ccc(F)cc2)c1C1CC1 95417830 DWAFTFGGZJIEMA-UHFFFAOYSA-N 330.363 1.786 0 40 EDAB CCN1CCN(S(=O)(=O)c2ccc3ncsc3c2)[C@@H](C)C1=O 332619324 WHMQWYZEXGYDFB-JTQLQIEISA-N 339.442 1.538 0 40 EDAB CCc1nnc(NC(=O)c2ccccc2OCc2nnnn2C)s1 96101366 TXILATCCVMZZGG-UHFFFAOYSA-N 345.388 1.455 0 40 EDAB CCN(CC)[C@@H]1CCN(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)C1 96433965 NUDOCNKOTDXDNY-OAHLLOKOSA-N 343.435 1.919 0 40 EDAB COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccccn3)C[C@@H]21 96043429 HCPFFEYLODTQSQ-BRWVUGGUSA-N 333.432 1.071 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)CNc2ccccc2CC(F)(F)F)C1 96461166 PZTXRJCRXVSARA-GFCCVEGCSA-N 343.349 1.927 0 40 EDAB O=C(c1ccccc1)N1CCC2(CC1)C(=O)NCCN2CC1CC1 96230422 OCNBLUJKOPSJSQ-UHFFFAOYSA-N 327.428 1.503 0 40 EDAB COc1cc(N2CC[C@H]3CO[C@H](CNc4ncccn4)[C@H]3C2)ncn1 96185531 ZXLCQVPLVYDZKT-MELADBBJSA-N 342.403 1.229 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1 96426671 QBBTXSNFVYCNOB-UONOGXRCSA-N 339.399 1.208 0 40 EDAB COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccccc2F)O1 96187240 PQTXEEAOZZRNTI-BRWVUGGUSA-N 336.407 1.710 0 40 EDAB CCc1nsc(N2CCCN(CC(=O)N[C@@H](C)C3CC3)CC2)n1 95404911 UMGISTYUOSQTGJ-LBPRGKRZSA-N 337.493 1.527 0 40 EDAB CCc1nncn1CCNS(=O)(=O)c1cc(C)c(F)cc1Cl 96472754 QISMBYZJMQGAMY-UHFFFAOYSA-N 346.815 1.920 0 40 EDAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCn1cnnn1 583652553 FQTVGFOGULADTR-OAHLLOKOSA-N 340.387 1.747 0 40 EDAB O=C([C@@H]1COC[C@H]2CN(Cc3cccs3)C[C@@H]12)N1CCOCC1 96038596 OTZOUVAQVOTMBQ-FVQBIDKESA-N 336.457 1.301 0 40 EDAB O=C(c1ccco1)N1CCCC12CCN(S(=O)(=O)C1CC1)CC2 96049340 CEVACTFIUVEPOR-UHFFFAOYSA-N 338.429 1.842 0 40 EDAB O=C1CO[C@@]2(COCCN(Cc3ccco3)C2)CN1c1ccccc1 96051260 HQFNXUKBXBPLFJ-LJQANCHMSA-N 342.395 1.914 0 40 EDAB CCCCCNC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 244496206 ZKNIYWIPIWTYKQ-UHFFFAOYSA-N 330.425 1.894 0 40 EDAB Cc1cncc(C(=O)N2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)c1 248037495 VANMMGLKMMSREL-FUHWJXTLSA-N 333.432 1.342 0 40 EDAB COC1(CC(=O)N2CC[C@@]3(COCc4cnc(C)nc43)C2)CCC1 247958787 NJBCPNZYRPDRCK-KRWDZBQOSA-N 331.416 1.745 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](C)(C(=O)OC)N[C@H]2c1ccccc1F 245230558 UMDOTPGLDWJGAM-LKQDWFRTSA-N 334.347 1.023 0 40 EDAB CC[C@H]1CN(C)CCN1C(=O)c1cccc(N2CCCNC2=O)c1 585085986 NJFXRNSLHSRWIR-HNNXBMFYSA-N 330.432 1.773 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2cnc(C(C)C)nc2)CCO1 257251550 JRFCMFSJHPUYGR-ZDUSSCGKSA-N 342.403 1.645 0 40 EDAB O=C(OC[C@H]1CCCO1)N(CCN1CCOCC1)[C@@H]1CCSC1 585115165 OYWAWBPRPKWWEP-HUUCEWRRSA-N 344.477 1.442 0 40 EDAB COC(=O)[C@@H](NCCCNS(=O)(=O)c1ccc(C)cc1)C(C)C 585114544 IHDKGVYTLHIUNU-HNNXBMFYSA-N 342.461 1.451 0 40 EDAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1cncs1 257208503 BMLDTQVFPXVSRR-OAHLLOKOSA-N 331.401 1.153 0 40 EDAB Cc1cccnc1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257308010 TVBZZPXBNCBJGG-INIZCTEOSA-N 339.386 1.698 0 40 EDAB COc1ccccc1[C@H]1CN(C(=O)c2cccc(O)n2)CCN1C 257334930 YHXJWNYMCPVZRX-OAHLLOKOSA-N 327.384 1.925 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257331085 XRHKQKZLFURPAH-INIZCTEOSA-N 327.340 1.727 0 40 EDAB CCc1cnc(N2CCO[C@@H]3CN(C(=O)C4CC4)CC[C@H]3C2)nc1 253606591 VPPCPDZHZMPOOK-JKSUJKDBSA-N 330.432 1.503 0 40 EDAB CNC(=O)c1cnn2c(C3CCN(C(=O)C4CCC4)CC3)ccnc12 257303098 SFTNOLVAXPHYEP-UHFFFAOYSA-N 341.415 1.595 0 40 EDAB CCCC(=O)N1CCC[C@H](C(=O)N2CC[C@](C(=O)O)(C(C)C)C2)C1 262789214 BSYVOSZUHJVWMP-KBXCAEBGSA-N 338.448 1.984 0 40 EDAB CCn1cc(C(=O)N2CCC(Cc3ccccc3CO)CC2)nn1 1615037192 DFYZBEQOEWCXBN-UHFFFAOYSA-N 328.416 1.885 0 40 EDAB CO[C@H](C)CS(=O)(=O)Nc1cc(C(=O)O)c(F)c(F)c1F 1616039918 ZKBPVAOVIKDCDW-RXMQYKEDSA-N 327.280 1.579 0 40 EDAB Cc1nnc2ccc(N3CCCN(C(=O)OC(C)(C)C)CC3)nn12 298755521 PHDJVMSIHYQGMT-UHFFFAOYSA-N 332.408 1.880 0 40 EDAB CCSc1nnc(NC(=O)c2ccc(-n3cncn3)nn2)s1 96097854 PVEHKLMXQJOIGI-UHFFFAOYSA-N 334.390 1.273 0 40 EDAB Cn1c(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)nnc1C1CC1 585113389 YZPPXJGHPYSBRA-ZDUSSCGKSA-N 343.362 1.823 0 40 EDAB CC1CC(C(=O)N2C[C@H]3OC[C@@H](CC(=O)Nc4cnccn4)[C@H]3C2)C1 585108499 PFRSEHYYEYAHIP-CLACGNGHSA-N 344.415 1.325 0 40 EDAB CN(CC(=O)NCCOc1cccc(F)c1)c1ncnc2[nH]cnc12 57097283 FSNZVHRVEDMGEP-UHFFFAOYSA-N 344.350 1.123 0 40 EDAB Cn1ncc2c(=O)[nH]c(NC3CCN(CC4CCCC4)CC3)nc21 69571712 USDIKHZMBQDUKU-UHFFFAOYSA-N 330.436 1.723 0 40 EDAB CCc1nc(C(=O)N2CCN(c3ncnc4sccc34)CC2)no1 547825540 JUARCOZYQDXUCY-UHFFFAOYSA-N 344.400 1.599 0 40 EDAB CSc1ncccc1C(=O)N1CC(S(=O)(=O)CC(C)C)C1 96121966 QSCVSSWMENACPE-UHFFFAOYSA-N 328.459 1.699 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCC(Oc2nncs2)CC1 828177493 GFQCIISOWVGYSY-UHFFFAOYSA-N 347.396 1.993 0 40 EDAB O=C1NCC[C@@H]1C(=O)N1C[C@@H]2CC[C@@]2(Nc2nc3ccccc3o2)C1 1615831908 FKRUAPSGIWOYLU-OAVHHTNSSA-N 340.383 1.367 0 40 EDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCNCC2 1549174420 HRDMMDMCHMTDCA-INIZCTEOSA-N 329.444 1.845 0 40 EDAB C[C@@H](CO)NC(=O)[C]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 1560410012 KPXZXWYJACMTSZ-UXEPBGEESA-N 326.420 1.583 0 40 EDAB CN1C[C@@H](C(=O)Nc2ccncn2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595525 CVCUDPOGNZDRIF-WWGRRREGSA-N 328.347 1.866 0 40 EDAB O=C1CN2CCNC[C@@H]2COc2ccc(-c3cccnc3F)cc2N1 1772594620 QMIMWKVLOPDOOD-CYBMUJFWSA-N 342.374 1.492 0 40 EDAB O=S(=O)(c1ccc(F)cc1)N1CCC(O)(c2ccccn2)CC1 12114458 LWULBQLOLLVYTI-UHFFFAOYSA-N 336.388 1.893 0 40 EDAB O=C(C[C@@H]1SC[C@@H](C(=O)O)NC1=O)Nc1cccc2ccccc12 13636947 CJRILOKSZVDZHH-KBPBESRZSA-N 344.392 1.853 0 40 EDAB CC(=O)N1C[C@@H](C(=O)NC(C)C)[C@H](c2ccnc(N3CCCC3)n2)C1 19449966 YGOQMZDPJZDYLY-HUUCEWRRSA-N 345.447 1.163 0 40 EDAB CCN1C(=O)[C@@H]2[C@@H](c3ccc(C)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526728 WBUOAAWGZNQQAU-UYAYXHRUSA-N 330.384 1.192 0 40 EDAB CNC(=O)[C@]1(C)CN(C(=O)c2cccc3[nH]c(C)c(C)c23)CCO1 19746685 WHXDBPAEGVIOJP-SFHVURJKSA-N 329.400 1.762 0 40 EDAB COC(=O)[C@@H]1CCn2c(nnc2-c2cc(Br)cn2C)C1 601044163 HZESDWTWODFWLS-MRVPVSSYSA-N 339.193 1.782 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NC[C@H]1CCCO1)=N[C@@H]2c1ccccc1 101983175 HSVUNXDUXMTAFD-ZBFHGGJFSA-N 339.399 1.649 0 40 EDAB COc1cc2[nH]c(=O)n(CCc3ccccc3)c(=O)c2cc1OC 427314 JANFEOXENKZIAZ-UHFFFAOYSA-N 326.352 1.950 0 40 EDAB CC1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1 5272510 CHFXBODXTBWAMB-UHFFFAOYSA-N 336.413 1.480 0 40 EDAB COCc1nsc(N2CCN(c3ncnc4c3CCC4)CC2)n1 1889090351 MLGVOSPJVXAVEZ-UHFFFAOYSA-N 332.433 1.290 0 40 EDAB CN(C)c1ccc(N2CCN(CC(=O)N3CCCCCC3)CC2)nn1 1889108990 CCRQDECYRJSVBB-UHFFFAOYSA-N 346.479 1.067 0 40 EDAB CCC(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1 1775964250 YYMZWXHWERGVLQ-LBPRGKRZSA-N 329.360 1.355 0 40 EDAB biogenic,in-vitro CCc1ncnc(N2CCN(c3ncnc4cc[nH]c34)CC2)c1F 1776009290 CETGOKXYTQDJAW-UHFFFAOYSA-N 327.367 1.776 0 40 EDAB Cc1cc(N2CCO[C@H]3CN(Cc4cn(C)nc4C)C[C@@H]32)ccn1 2056225056 ZRSBVBNZLDDXAR-ROUUACIJSA-N 327.432 1.522 0 40 EDAB CC(C)[C@H](N)C(=O)NCCOCCOCCOCc1ccccc1 953000544 RXPAGSLENSWRLE-KRWDZBQOSA-N 338.448 1.336 0 40 EDAB O=C(C1CC(O)C1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 1614940613 RKUMHNYFHZOICI-GPANFISMSA-N 328.412 1.280 0 40 EDAB O=C1C[C@H](Cn2cc(C(=O)N3CCC3)nn2)CN1Cc1ccccc1 2086992572 XHJPAWPSSJREPM-HNNXBMFYSA-N 339.399 1.173 0 40 EDAB CC(=O)N1N=C(C)C[C@]12CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]12 1565556376 FMSFKMSFTWIAPQ-NUJGCVRESA-N 334.464 1.562 0 40 EDAB Cn1cnc(C(=O)N2CCC3(CC[C@H](C(=O)N4CCCC4)C3)CC2)n1 1565549473 RXNXUAXMARGIFB-AWEZNQCLSA-N 345.447 1.460 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 106144 QSOLRZIQJXDEMJ-CYBMUJFWSA-N 336.438 1.610 0 40 EDAB O=C(NCCc1cn2c(n1)SCC2)C(=O)Nc1ccc(F)cc1 5345016 PWDXPKLDGBHZHM-UHFFFAOYSA-N 334.376 1.425 0 40 EDAB CC(=O)N1CCC[C@@]2(CC(C(=O)N(C)Cc3ccccn3)=NO2)C1 2055834975 NCTWNCHWGSYHHP-QGZVFWFLSA-N 330.388 1.197 0 40 EDAB O=C(NC[C@@H](O)Cn1ccccc1=O)c1cccc(C(F)(F)F)c1 96124351 YJHZSMJELUHDFM-CYBMUJFWSA-N 340.301 1.658 0 40 EDAB CN1C[C@@H](C(=O)NCCOc2cccc3c2OC(C)(C)C3)CC1=O 40074730 ICRSOHRGODMVQS-ZDUSSCGKSA-N 332.400 1.373 0 40 EDAB CN1C[C@@H](C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1=O 50379459 NHVBDWNYDDBWJR-HOCLYGCPSA-N 334.391 1.812 0 40 EDAB O=C(NCCNC(=O)c1ccco1)NCc1ccc2c(c1)OCO2 31033228 MOKFCIHLEYTVAK-UHFFFAOYSA-N 331.328 1.238 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 31398221 IECYUWODIYNDLX-QWHCGFSZSA-N 328.372 1.202 0 40 EDAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1cc2ccccc2[nH]c1=O 40497342 GTSUEXHIIROTHS-AWEZNQCLSA-N 346.408 1.649 0 40 EDAB CCCCc1noc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 40489794 PWDAOIFFGHJNHK-CQSZACIVSA-N 336.436 1.483 0 40 EDAB Cc1cc(O)c2c(C)c(CC(=O)NCCCC(=O)O)c(=O)oc2c1 20412614 VGNFBTTWCRUTSQ-UHFFFAOYSA-N 333.340 1.639 0 40 EDAB biogenic CCOC(=O)c1c(C)nn2c(=O)cc(CN(C)[C@H](C)C3CC3)[nH]c12 100839776 YHHKTZMGNMDIPR-LLVKDONJSA-N 332.404 1.738 0 40 EDAB C[C@H](NC(=O)c1ccnc(N(C)C)c1)c1ccc2c(c1)NC(=O)CO2 40535519 AYUXSKIPZVXNSX-NSHDSACASA-N 340.383 1.970 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)Nc1nnc(C2CC2)s1 9335931 CZYDMTKGPPHVIY-UHFFFAOYSA-N 342.384 1.549 0 40 EDAB CCc1nc(CN(C)[C@@H]2CCN(CCC(=O)N3CCCCC3)C2)no1 76047398 LCDOCHBORZEREN-OAHLLOKOSA-N 349.479 1.541 0 40 EDAB C[C@H](CN(C)CC(=O)Nc1ccc(Cl)cc1)CS(C)(=O)=O 79097972 YTVZMOBBICBTKJ-LLVKDONJSA-N 332.853 1.891 0 40 EDAB Cn1nnc2cc(CNC[C@@H]3CCN(CC(F)(F)F)C3)ccc21 79093458 OTRIAQWJKCTORN-LBPRGKRZSA-N 327.354 1.942 0 40 EDAB CC[C@@H](CCO)CNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 79074271 UDBRRULIBJUAOG-WMLDXEAASA-N 338.423 1.724 0 40 EDAB COCCNC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 2140672 ZXYBZDMLPWNXNQ-UHFFFAOYSA-N 328.434 1.069 0 40 EDAB CCOc1cc2c(cc1CNC(=O)C1=NN(C)C(=O)CC1)O[C@@H](C)C2 21938293 UHDRGQDNABUWMH-NSHDSACASA-N 345.399 1.633 0 40 EDAB CCNC(=S)N(CCO)Cc1cc2ccc(OC)cc2[nH]c1=O 4133110 ZZPAYERVJAJXRU-UHFFFAOYSA-N 335.429 1.225 0 40 EDAB OCCCNc1ncnc2c1nnn2Cc1c(F)cccc1Cl 4982921 IACBMZGWILSLPK-UHFFFAOYSA-N 336.758 1.856 0 40 EDAB CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCCN(C2CC2)CC1 69658539 RUDXKJDCWFWHGB-AWEZNQCLSA-N 339.505 1.631 0 40 EDAB CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCCOC)nn1 8298020 NPWAXSURFWQNOS-OIISXLGYSA-N 349.479 1.094 0 40 EDAB biogenic,in-vitro O=C1C[C@@H](C(=O)Nc2ccccc2)n2nc(C(F)(F)F)nc2N1 8559282 UNKGLTOLOWEKKY-QMMMGPOBSA-N 325.250 1.819 0 40 EDAB CCNc1c(NC(=O)NCC(=O)OCC)c(=O)oc2ccccc12 101096467 MQVCCVSFLCEHIV-UHFFFAOYSA-N 333.344 1.909 0 40 EDAB O=C(COC(=O)c1cccnc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 2635600 GKQXIBQRRVEDPE-UHFFFAOYSA-N 346.730 1.700 0 40 EDAB Cc1cc(OCC(=O)NCc2ccccc2CN2CCOCC2)no1 23956233 WKDUKPCWDALEQN-UHFFFAOYSA-N 345.399 1.510 0 40 EDAB CNC(=O)c1ccc(CNC(=O)CNC(=O)c2ccsc2)cc1 55216704 WJDZJKKNAFHOOQ-UHFFFAOYSA-N 331.397 1.154 0 40 EDAB O=C(CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)NCc1ccco1 25070322 BXPFKMXCHARUIO-UHFFFAOYSA-N 342.330 1.855 0 40 EDAB NC(=O)C1(CNC(=O)c2cc(-c3ccccc3)on2)CCOCC1 47909335 OIMMWYKDXYIOMK-UHFFFAOYSA-N 329.356 1.354 0 40 EDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@H]1c1ccc(F)cc1 25443925 QNBIQPICVGGGMQ-AWEZNQCLSA-N 328.409 1.253 0 40 EDAB Cc1nnc2ccc(C(=O)N3CCN([C@H]4C[C@H]5CC[C@H]4C5)CC3)cn12 107509440 YWGZMCBIHCCLOS-ZOBUZTSGSA-N 339.443 1.984 0 40 EDAB COCc1cc(=O)[nH]c(N2CCN(c3cccc(OC)c3)CC2)n1 22448363 ZGKUHSICIDLFKY-UHFFFAOYSA-N 330.388 1.252 0 40 EDAB Cc1cccc(CN2CC[C@@]3(C[C@@H](Oc4ncccn4)CO3)C2)n1 107785664 MPAIKZFJXHNNOV-SJLPKXTDSA-N 326.400 1.992 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 108060607 XHFSHZHNQHVJFC-BYNSBNAKSA-N 328.478 1.743 0 40 EDAB C[C@@H]1CN(c2ccc(NC(=O)NCC(=O)N(C)C)cc2)C[C@@H](C)O1 50082312 AQJBNKMNDYRULH-CHWSQXEVSA-N 334.420 1.510 0 40 EDAB O=C(COC(=O)c1cccnc1N1CCOCC1)NC1CCCC1 12620578 YNLWBDWMMVHQPY-UHFFFAOYSA-N 333.388 1.134 0 40 EDAB CCOC(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1OC 35933847 PGXXISXJTXDUGA-PMGBHYCQSA-N 332.400 1.462 0 40 EDAB COc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccc(F)c(F)c1 67350187 MUPKBYLWYXOSAZ-UHFFFAOYSA-N 335.310 1.755 0 40 EDAB CN(C)C(=O)c1ccc(NC(=O)CN2CCN(C3CC3)CC2)cc1 58216080 NBVCMMZGUBMWBF-UHFFFAOYSA-N 330.432 1.107 0 40 EDAB Cc1cnc2c(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cccc2c1 44906658 RQQHCJDZKQCRRL-GFCCVEGCSA-N 340.426 1.009 0 40 EDAB C[C@H](CCNC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 58341420 VCLZEHSOIMAHHB-CYBMUJFWSA-N 339.399 1.440 0 40 EDAB O=S(=O)(NCc1ccnc(N2CCOCC2)c1)c1ccccc1 28054039 HEVHQDVLMUOQES-UHFFFAOYSA-N 333.413 1.397 0 40 EDAB O=C(CC[C@H]1NC(=O)NC1=O)Nc1cccc(Br)c1 12728717 AWBBNQWGIDFGNO-SECBINFHSA-N 326.150 1.376 0 40 EDAB CCn1cc(S(=O)(=O)NC[C@H](C)Cn2nc(C)cc2C)c(C)n1 36614805 NQNKGMASCFZDKV-NSHDSACASA-N 339.465 1.639 0 40 EDAB CN1CCN(c2ccc(CNC(=O)Nc3nccs3)cn2)CC1 48324977 RPGAPBHQHUNRKI-UHFFFAOYSA-N 332.433 1.612 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)O)cc1)Nc1snnc1C(=O)O 8694222 QUUZZSFDWCTRRX-UHFFFAOYSA-N 344.330 1.127 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 29193975 IDKIBZQRONBVBF-OAHLLOKOSA-N 347.440 1.631 0 40 EDAB CCOc1cc(C(=O)N2CCN(c3cnccn3)CC2)ccc1OC 11543561 NVGVRWSFSNEYNM-UHFFFAOYSA-N 342.399 1.846 0 40 EDAB Cc1nc2ccccc2nc1N1CCN(CC(=O)N2CCCC2)CC1 29433978 QURGLZPFQZSHTQ-UHFFFAOYSA-N 339.443 1.683 0 40 EDAB O=C(NCCc1cccc2cccnc12)NC[C@H]1CCS(=O)(=O)C1 48404767 FFYMVCJOCMUYRT-CYBMUJFWSA-N 347.440 1.511 0 40 EDAB CCCNC(=O)NC(=O)CSc1nnc(-c2ccncc2)n1CC 3501706 SURRTCXNHUKURI-UHFFFAOYSA-N 348.432 1.688 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2ccc(Br)o2)CC1 69878322 ILZRMWOWSJZPMX-SNVBAGLBSA-N 331.210 1.571 0 40 EDAB COc1ccc(-c2nsc(NC(=O)C3=NN(C)C(=O)CC3)n2)cc1 69843947 VMSIMWAPBSFOKV-UHFFFAOYSA-N 345.384 1.760 0 40 EDAB O=C(C1CCC1)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 306126485 DXIWMIPVCFJDQU-CQSZACIVSA-N 327.446 1.229 0 40 EDAB C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1nnc2ccccn12 69879356 LGNIHOYNOMHTQZ-JTQLQIEISA-N 349.354 1.363 0 40 EDAB Cc1noc(C)c1CN1CCN(c2ccc3nnc(C)n3n2)CC1 69877288 IPUGGCLPYOOSES-UHFFFAOYSA-N 327.392 1.360 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1O 13012416 GSLYHWUPNHVDDK-MRVPVSSYSA-N 334.191 1.072 0 40 EDAB COc1ccc([C@H](C)N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 3882426 REKWHZMALYIKHA-KSMPBXBHSA-N 329.352 1.623 0 40 EDAB O=C(/C=C/c1ccco1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 69922265 SOFNJMRQVIIWBD-WLBISTCBSA-N 338.429 1.061 0 40 EDAB COC(=O)c1cc(F)ccc1COc1ccc(C(=O)NCCO)cc1 69968438 LLKAYQQMASXBOI-UHFFFAOYSA-N 347.342 1.913 0 40 EDAB CC[C@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)O 4081057 ONHYJFDFHCXDJS-NSHDSACASA-N 333.340 1.637 0 40 EDAB biogenic CC(=O)N1CCN(C(=O)CSc2nc3ccccc3n2C)CC1 8746552 HBTCUMVQUVSLHL-UHFFFAOYSA-N 332.429 1.356 0 40 EDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nonc1C 28249107 PAYPWAFZZOVJHO-UHFFFAOYSA-N 326.334 1.146 0 40 EDAB CCN1C(=S)N(c2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 13734352 CXNBRJMFMQGCSA-NEPJUHHUSA-N 330.862 1.932 0 40 EDAB COCc1nc(C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)cs1 65042193 LOKGGPCJUXKKOU-UHFFFAOYSA-N 348.352 1.686 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)NCc2ccccc2F)CC1 65578998 WPODXHSBNMUQIN-UHFFFAOYSA-N 343.424 1.297 0 40 EDAB COc1ccc(C(=O)N[C@@H]2C(=O)NN[C@H]2c2ccc(C)cc2)cc1 6480117 LJDHNDHATUFCQJ-HOTGVXAUSA-N 325.368 1.478 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(OC(F)F)cc2)CC1 14107557 ULOWWCFPDVSVBI-UHFFFAOYSA-N 348.371 1.898 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)COn2nnc3ccccc32)c1C 14120443 IKQVUCAWYYODCS-UHFFFAOYSA-N 328.328 1.474 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NCCC(=O)N(C)Cc1ccccc1 65620960 OKLZUKALPCJQRD-HNNXBMFYSA-N 343.431 1.620 0 40 EDAB Cc1cc(Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)no1 65607568 MWNYFKFRZCZFAP-UHFFFAOYSA-N 340.261 1.459 0 40 EDAB COc1cn(CC(=O)Nc2cccc(C(C)=O)c2)c(CO)cc1=O 71282504 OKFQEVVLWJZQIS-UHFFFAOYSA-N 330.340 1.191 0 40 EDAB CN(C)CCNC(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)c1 71288131 GNNGTPPZMZVYAT-KBPBESRZSA-N 347.415 1.273 0 40 EDAB O=C(COC(=O)c1ccc(Br)o1)NC[C@H]1CCCO1 4925190 GKABSOFQISJOOO-MRVPVSSYSA-N 332.150 1.494 0 40 EDAB CN1CCc2ncnc(N3CCC[C@H](C(=O)NCC4CC4)C3)c2C1 65517585 AHZJDCCLTCCXCF-AWEZNQCLSA-N 329.448 1.207 0 40 EDAB Cc1ccc(-c2n[nH]cc2CN2CCN(Cc3noc(C)n3)CC2)o1 93273963 JCMRKDAEGVIOOL-UHFFFAOYSA-N 342.403 1.987 0 40 EDAB CC1(C)NC(=O)N(CC(=O)N(Cc2ccccc2F)C2CC2)C1=O 7320634 DDGFXMQEKTYRJI-UHFFFAOYSA-N 333.363 1.647 0 40 EDAB C[C@H](NC(=O)N1CCN(c2ncccc2F)CC1)C1CCOCC1 90613893 XLCNBGGAXCFXDJ-ZDUSSCGKSA-N 336.411 1.867 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)c1 70008029 COTIQNXAVRKSST-ZIAGYGMSSA-N 325.434 1.007 0 40 EDAB C[C@@H]1CN(c2cnc3ccccc3n2)CCN1c1ccc2nncn2n1 69491935 PLKKAQBXCKETBG-CYBMUJFWSA-N 346.398 1.783 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)o1 69510721 OLQKBBLUHZAFDB-CQSZACIVSA-N 330.388 1.898 0 40 EDAB O=C(CCN1CCN(c2cc(F)ccc2F)CC1)N1CCOCC1 96455948 FGRUOXFTEVWDPC-UHFFFAOYSA-N 339.386 1.336 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cn(Cc2ccccc2)nn1 71829683 LQUJCQLOJBYYEE-JSGCOSHPSA-N 327.388 1.052 0 40 EDAB CC(C)(C)C(=O)N1CCN(Cc2cnn(-c3ccccc3)n2)CC1 71852298 MJVSPUBGCBHSBB-UHFFFAOYSA-N 327.432 1.958 0 40 EDAB Cc1cccc(N2CCN(CC(=O)NCc3ccco3)[C@H](C)C2)n1 71908327 DYBWNCGCXIUGBR-OAHLLOKOSA-N 328.416 1.810 0 40 EDAB O=C1CCN(C(=O)CCc2cc(F)ccc2Br)CCN1 97372653 XPYWUZMMTFNSPQ-UHFFFAOYSA-N 343.196 1.869 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(C(=O)N(C)C)CC2)cc1 97079679 JHDPRTOCOTWVRO-ZDUSSCGKSA-N 346.431 1.515 0 40 EDAB Cc1nc2c(c(C)c1CNC(=O)COC1CCCCC1)c(=O)[nH]n2C 72285349 GZKKOFPNRBHZOU-UHFFFAOYSA-N 346.431 1.844 0 40 EDAB COC(=O)C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)OC 72245334 JWQJJYRXWKOFSJ-SNVBAGLBSA-N 349.261 1.420 0 40 EDAB Cn1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)n1 72269164 BQKYEIIVTFELIY-NEPJUHHUSA-N 346.353 1.110 0 40 EDAB O=C(NCCn1cccc1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 95440828 OGFVCZRVFJDZNO-LSDHHAIUSA-N 333.388 1.615 0 40 EDAB CC(C)C[C@H](NC(=O)[C@@H]1CCN(CC(C)C)C1)C(=O)Nc1cc[nH]n1 95415214 CMAWHQZUHIELNO-CABCVRRESA-N 349.479 1.857 0 40 EDAB O=S(=O)(CC1CC1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 95414127 KPYOSDZMZZAKCD-IRXDYDNUSA-N 336.457 1.311 0 40 EDAB COc1ccc(C2(CNC(=O)[C@@H](CO)NC(N)=O)CCCCC2)cc1 95451460 MGRFEDWSQSQBCR-OAHLLOKOSA-N 349.431 1.043 0 40 EDAB CCc1oc(C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1C 89280250 HCYGQWIOFYHKJA-ZDUSSCGKSA-N 342.461 1.341 0 40 EDAB Cc1[nH]ccc1C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 176018349 ZXDOAJQSKLZLFY-UHFFFAOYSA-N 329.404 1.339 0 40 EDAB Cc1nc(CN2CCN(CC3(CS(C)(=O)=O)CC3)CC2)oc1C 89558363 SEPXLTRGAMKZQX-UHFFFAOYSA-N 341.477 1.234 0 40 EDAB CC(C)N1C(=O)N[C@@](C)([C@@H]2CCCN(CCOCC3CC3)C2)C1=O 89869735 RCZAZSHASZTHFM-QAPCUYQASA-N 337.464 1.844 0 40 EDAB C[C@@H](c1cn(-c2ccccc2)nn1)N1CCC[C@H](CS(N)(=O)=O)C1 89913482 AHXBFJKYFGUGIU-KBPBESRZSA-N 349.460 1.329 0 40 EDAB O=C([C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCN(CCO)CC1 75572193 MYFUHLVKKOZWQM-KGLIPLIRSA-N 342.361 1.945 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 65405141 IOHUMCAIXIPUJP-SECBINFHSA-N 340.326 1.386 0 40 EDAB CC[C@H](CO)N(C(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 217375733 KVUVBWWRDKZBRC-CABCVRRESA-N 325.430 1.016 0 40 EDAB CN(C)C(=O)[C@@]1(C)CN(Cc2ccccc2N2CCCC2)CCO1 72379851 UGVJCZQKWTZAFZ-LJQANCHMSA-N 331.460 1.966 0 40 EDAB CN1CCC(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1 72830350 VLWUMNWWRNQWEM-HNNXBMFYSA-N 345.443 1.876 0 40 EDAB CN(C(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 38753210 WFRDPEZDUSXONB-ZDUSSCGKSA-N 325.434 1.168 0 40 EDAB O=S(=O)(Nc1nc(CN2CCOCC2)cs1)c1cccnc1 78556690 IYYNLHBBCXLGPM-UHFFFAOYSA-N 340.430 1.171 0 40 EDAB COc1ccc(CCNC(=O)CN2CCC[C@H]2c2noc(C)n2)cc1 75573198 COLLMRCDQPKJLO-INIZCTEOSA-N 344.415 1.882 0 40 EDAB Cc1noc(CCNS(=O)(=O)c2cc(F)c(C)c(C(=O)O)c2)n1 566070000 JTIIVGWWPWYREY-UHFFFAOYSA-N 343.336 1.045 0 40 EDAB COc1ccccc1CNC(=O)c1c(O)n2ccc(C)cc2nc1=O 136832915 LGXICQFTMSWEQH-UHFFFAOYSA-N 339.351 1.647 0 40 EDAB COCC(=O)N1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 72354341 CGBRKVYCZCHDMW-CYBMUJFWSA-N 327.388 1.968 0 40 EDAB C[C@]1(F)CNCCN(C(=O)c2cc(C(=O)O)n(-c3ccccc3)n2)C1 565720095 HZLWLBHNWNGULE-KRWDZBQOSA-N 346.362 1.344 0 40 EDAB COc1ccc(OC)c(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 49942119 RAEAZMLNVDEYMH-QGZVFWFLSA-N 334.416 1.527 0 40 EDAB O=C(CN1C[C@H](O)C[C@H]1c1ccccc1)NCC(=O)c1cccs1 570024515 DLUNJTKWCOYHPC-CABCVRRESA-N 344.436 1.855 0 40 EDAB Cc1cccc(S(=O)(=O)NC[C@@](C)(O)c2ccc3c(c2)OCO3)c1 75155461 VBTNHJQTEQINBH-QGZVFWFLSA-N 349.408 1.910 0 40 EDAB Cc1ccc2cnn(CCC(=O)NCCCN3CCOCC3)c2c1 40769086 COHZXISBIOZOAQ-UHFFFAOYSA-N 330.432 1.573 0 40 EDAB CCn1nccc1C1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 329069373 MWFDWHKXTJRXOI-AWEZNQCLSA-N 328.420 1.463 0 40 EDAB Cc1nc(CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)sc1C(=O)O 320843476 OVCLCHCNIOINCS-SNVBAGLBSA-N 339.417 1.270 0 40 EDAB O=C1NC2=NN[C@@H](c3cn(-c4ccccc4)nc3C(=O)O)[C@@H]2S1 96306059 CEHFZXOEANDWKD-ONGXEEELSA-N 329.341 1.353 0 40 EDAB COCCC(=O)N1CC[C@@H](OC)[C@H]2CN(Cc3ccncc3)C[C@H]21 96108594 GGZJJLJVXGAJHW-GVDBMIGSSA-N 333.432 1.166 0 40 EDAB O=C(CN1CCO[C@@H]2CCC[C@H]21)N1CCN(Cc2ccsc2)CC1 230082138 CBLYKZZHJXMRLP-IAGOWNOFSA-N 349.500 1.646 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1COC[C@H]2CN(C3CCOCC3)C[C@@H]12 96038625 IKTYUWFNKREWSE-KBRIMQKVSA-N 331.416 1.394 0 40 EDAB C[C@H](NCC(=O)N1CCN(Cc2ccco2)CC1)c1ccncc1 97370697 GDTXNPYHWGBUBO-HNNXBMFYSA-N 328.416 1.670 0 40 EDAB Cc1ccc(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)o1 96067090 MPQIXFALECIBTD-ZDUSSCGKSA-N 326.360 1.348 0 40 EDAB O=C(c1ccco1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1cccnc1 96200869 DBGDPTIWZKXCMW-SJORKVTESA-N 341.411 1.833 0 40 EDAB CO[C@@H]1CCN(C(=O)c2cc(C)on2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 96110994 RZJUVTNWNXZUKD-USXIJHARSA-N 345.399 1.938 0 40 EDAB O=C(Nc1ccc(Cn2ccccc2=O)cc1)N[C@H]1CCC[C@H]1O 96415820 GLQDUKJFRNZYIW-JKSUJKDBSA-N 327.384 1.932 0 40 EDAB O=C([C@H]1CCCCN1C(=O)c1ccco1)N1CC(O)(C(F)F)C1 579825574 BAPSQMZKRDSVOD-SNVBAGLBSA-N 328.315 1.113 0 40 EDAB C[C@@H]1[C@@H](CO)[C@@H]2C[C@@H]3c4[nH]c5ccc(O)cc5c4C[C@H]([C@@H]2CO)N31 1077996683 LCWCFXWKNADLOU-YUFYHBTJSA-N 328.412 1.780 0 40 EDAB biogenic Cc1cnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nc1C 96486603 YUKQJMNXQXPWIB-MRXNPFEDSA-N 325.416 1.442 0 40 EDAB O=C(NCc1ccco1)[C@H]1CN(c2ncccn2)C[C@H]2OCC[C@H]21 97953642 SFYNVOXITCRYHJ-SOUVJXGZSA-N 328.372 1.227 0 40 EDAB O=C(O)c1c(-c2cncnc2)ncc2c1CCN(C[C@H]1CCOC1)C2 96189268 PNUQFCDBMWYLSK-GFCCVEGCSA-N 340.383 1.631 0 40 EDAB CCC(CC)(CNC(=O)Cc1n[nH]c2ccccc12)S(C)(=O)=O 96432870 FZWWKDBVQJHAIW-UHFFFAOYSA-N 337.445 1.825 0 40 EDAB Cc1ccc(CCC(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)c(C)c1 583617804 TWZANWBJPPWLMU-GOSISDBHSA-N 328.416 1.864 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccnn2C)cc1 583616106 LHJDOTXCBHQSNL-FUHWJXTLSA-N 329.400 1.941 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@@H](Oc4ccccn4)CCO3)C2)on1 253600086 GIBHSXRNPIPUFE-ZDUSSCGKSA-N 329.356 1.831 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)n1 257285964 PJOPNFGCNBQUGR-ZDUSSCGKSA-N 342.355 1.377 0 40 EDAB O=C(c1cncs1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257200712 AEOWMTXQBMRWSZ-ZDUSSCGKSA-N 331.388 1.451 0 40 EDAB CNC(=O)c1cc(C[C@H]2CCCN(c3cc(C)ncn3)CC2)ncn1 257284119 PBHPUPNXVWBPQD-AWEZNQCLSA-N 340.431 1.784 0 40 EDAB CSCC[C@@H](NC(=O)COc1ccc2c(c1)C(=O)CC2)C(=O)O 256028028 PACUMTQQFNKZCA-CYBMUJFWSA-N 337.397 1.517 0 40 EDAB O=C(c1cncs1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257231074 GFCHZUSJUYUOHW-GOSISDBHSA-N 343.452 1.778 0 40 EDAB CN(CCCN(C)c1nc(O)c2cnn(C)c2n1)Cc1ccncc1 585092240 KWFSAADPAQRIOT-UHFFFAOYSA-N 341.419 1.422 0 40 EDAB Oc1cc(C[C@H]2COCCN(CCOc3ccc(F)cc3)C2)ncn1 257314441 UWYSECVEDWBPHT-CQSZACIVSA-N 347.390 1.891 0 40 EDAB CC(C)Oc1ccc([C@H]2CNCCN2C(=O)CN2CCCC2=O)cc1 257266515 MDIIAXGBJVCGTK-QGZVFWFLSA-N 345.443 1.569 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(NC)nc(C)n1 257242611 IDHYRMNUJKOVNK-ZDUSSCGKSA-N 327.454 1.550 0 40 EDAB Cc1nc(-c2ccc(C(=O)N(C)C3CS(=O)(=O)C3)cc2)cs1 585129097 XVVXBJJCUSEZQB-UHFFFAOYSA-N 336.438 1.988 0 40 EDAB O=C(NN1CCCCC1)c1cnc(I)c(O)c1 585131435 VXCJKWNRFFZUNC-UHFFFAOYSA-N 347.156 1.523 0 40 EDAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)CCCn2cccn2)n1 257286858 PNIWXZNTEKHGJG-INIZCTEOSA-N 342.447 1.879 0 40 EDAB Cn1nccc1CN1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 257245477 IPRMIXZIZFSEBG-GUYCJALGSA-N 340.431 1.309 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCOC[C@H](Cc2ccncn2)C1 257340100 ZENGRGTZYPJBPJ-OAHLLOKOSA-N 329.375 1.876 0 40 EDAB COC(=O)c1ccc(CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1F 268077580 CETALOQLAUKSPO-UHFFFAOYSA-N 336.319 1.559 0 40 EDAB C[C@@H]1C[C@H](C(=O)Nc2cccc(C[S@](C)=O)c2)O[C@H]1C(=O)O 600865428 AILZXFJBLQKHKV-PBLPBGHSSA-N 325.386 1.382 0 40 EDAB COc1cc(C(=O)NCC2C(C)(C)C2(C)C)sc1S(N)(=O)=O 390833244 FCAQDSLCVIZENO-UHFFFAOYSA-N 346.474 1.816 0 40 EDAB CCCOc1cc(F)ccc1NC(=O)NCC1CS(=O)(=O)C1 585140955 NHELMKDEFQNVRZ-UHFFFAOYSA-N 330.381 1.781 0 40 EDAB O=C(C1=CCCCC1)N1Cc2ccnn2CC[C@H]1CN1CCOCC1 585096770 COJDRPCLKASBDR-KRWDZBQOSA-N 344.459 1.817 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@](O)(COc2cccc(F)c2)C1 585272588 NWMLPSZHNSTKML-GOSISDBHSA-N 347.390 1.751 0 40 EDAB CS(=O)(=O)NCC[C@H]1CN(Cc2cccs2)Cc2ccnn21 585112635 UQPWISCWGRZBKI-ZDUSSCGKSA-N 340.474 1.441 0 40 EDAB CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 47021569 OYEJPOFMMVBCET-SNVBAGLBSA-N 349.341 1.246 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCC[C@H](O)C3CC3)CC2=O)cc1C 77107820 QPQPYNAVSOFBRC-WBVHZDCISA-N 330.428 1.934 0 40 EDAB CCN(C(=O)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1)C(C)C 97141747 UBCKYEAVZYCYHK-MRXNPFEDSA-N 338.496 1.855 0 40 EDAB Cc1ccc(-c2noc(-c3nc(N)nc(N4CCOCC4)n3)n2)cc1 585133773 UPTOMAPDCLSSIK-UHFFFAOYSA-N 339.359 1.316 0 40 EDAB O=C(NCCc1cccc(F)c1)N1CC[C@@H](c2cc(O)nc(O)n2)C1 1615055429 MYYXAMLGJQWOFU-GFCCVEGCSA-N 346.362 1.769 0 40 EDAB COc1ccc(-c2ncc(C(=O)N3CCN[C@@H](CCO)C3)s2)cc1 1616040885 GWAWALCRVFZFMF-ZDUSSCGKSA-N 347.440 1.615 0 40 EDAB O=C1CC2(CN(S(=O)(=O)c3cccc(F)c3)C2)ON1CC1CC1 1549161674 IYTOSXRHZCHNCQ-UHFFFAOYSA-N 340.376 1.143 0 40 EDAB O=C(CN1CCC(n2nnc3ccccc3c2=O)CC1)N1CCCC1 12145965 XFZGBNXLOVNIPJ-UHFFFAOYSA-N 341.415 1.051 0 40 EDAB Cc1cccc(Cn2cnc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)c1 13960293 VUUDZOQXRNXWAO-XGUBFFRZSA-N 338.367 1.302 0 40 EDAB COc1cc(OC(=O)/C=C2/CCC(=O)O2)c2c(c1)O[C@H]1OC(=O)C[C@H]21 16916852 NKWCOGPKSZIFFC-YSWXHZIOSA-N 346.291 1.571 0 40 EDAB CNc1nc([C@@H]2CCCN(C(=O)C(C)C)C2)nc2c1CN(C)CC2 19711512 HHFIMGIVJPEHIA-CYBMUJFWSA-N 331.464 1.868 0 40 EDAB CNC(=O)Cn1cc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cn1 19746092 BHEXLMSOKZDWFQ-UHFFFAOYSA-N 334.351 1.564 0 40 EDAB CN(C)C(=O)[C@@]1(C)CCCN1C(=O)CCN1CCc2ccccc21 19746802 LVGBJTHUTJXXFU-LJQANCHMSA-N 329.444 1.909 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)C(F)(F)F)C[C@H](C1)C2O 169804884 BGRGPWUWODMPRE-RKDXNWHRSA-N 338.326 1.235 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2sc(C)nc2C)C1 225807633 WQORBOTYTGEZMJ-LLVKDONJSA-N 334.401 1.852 0 40 EDAB NC(=O)C[C@@H]1CCCCN1CC(=O)NC1C2CC3CC(C2)CC1C3 519024031 JTHGJJNHLKKSQT-INCKADGYSA-N 333.476 1.657 0 40 EDAB CN([C@H]1C[C@@H](C(=O)O)C1)S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 530143556 USTVUTBFMWSJJG-KLPPZKSPSA-N 339.413 1.884 0 40 EDAB Nc1nc(N)nc(CSc2nnc(C3CC3)n2-c2ccccc2)n1 6976268 HOWQNAKQJZRLGE-UHFFFAOYSA-N 340.416 1.786 0 40 EDAB O=C([C@@H]1CCCN(c2cc(C3CCC3)ncn2)C1)N1CCOCC1 1889099046 DSOHBDOHGKILMT-OAHLLOKOSA-N 330.432 1.819 0 40 EDAB COc1ccc(C(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1OC 1848956941 IZVVOZBGCKLNRF-OAHLLOKOSA-N 334.416 1.641 0 40 EDAB Cc1cc(CN2CCN(CC(=O)N[C@H](C)c3ccco3)CC2)on1 32491125 JUPGAWBTXAZCEV-CQSZACIVSA-N 332.404 1.571 0 40 EDAB Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)sc1Br 1615056542 QKUPDVRAVFDBRH-IUCAKERBSA-N 333.251 1.566 0 40 EDAB OC1(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)CCCC1 2087122738 FSQABWSOHFVWKF-UHFFFAOYSA-N 328.420 1.089 0 40 EDAB CN(Cc1cnc[nH]1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1565523499 PDIHCBCTDFXCKE-UHFFFAOYSA-N 338.419 1.436 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)CN(C(=O)c1ccsc1)CCO2 1565542353 QUBDMZIXPRNNEA-UHFFFAOYSA-N 344.458 1.015 0 40 EDAB O=C(c1cc(-c2cccnc2)on1)N1CCN(c2ccccn2)C(=O)C1 1565523610 UXCKPMAZIJSFNW-UHFFFAOYSA-N 349.350 1.621 0 40 EDAB O=C1CCCN2N=C(SCC(=O)Nc3nccs3)SC2=N1 3009775 KNNVUDNKSDXMJY-UHFFFAOYSA-N 341.443 1.811 0 40 EDAB O=C(NC1CCC1)[C@H]1C[C@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]1O2 2055738890 YDXXBCUDYGAOSA-HRCADAONSA-N 331.416 1.232 0 40 EDAB CC(C)CN(C)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713333 BEUKGAOWYZOEOT-AWEZNQCLSA-N 348.447 1.032 0 40 EDAB O=S(=O)(c1ccccc1)N1CCC[C@H](COc2ncccn2)C1 1775968016 JEQQNJGFELEDSL-AWEZNQCLSA-N 333.413 1.956 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1cc(-c2ccncc2)nn1C 1775965742 DSIOPEVAXUZORF-UHFFFAOYSA-N 347.400 1.565 0 40 EDAB Cc1cc(C(=O)NCCn2nc(-c3cccs3)n(C)c2=O)no1 36708587 SACAXVOBQYHIKP-UHFFFAOYSA-N 333.373 1.037 0 40 EDAB O=C(CCC(=O)c1ccccc1)NCCn1nc(C2CC2)ccc1=O 585410755 TXPFGGVYJMVNRI-UHFFFAOYSA-N 339.395 1.900 0 40 EDAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc[nH]c2=O)cc1 40049419 LBDNPDVWCUUPCZ-KRWDZBQOSA-N 341.411 1.487 0 40 EDAB O=C(CN1CCC[C@H](CO)C1)NCc1ccccc1OC(F)(F)F 40477524 IDBGUVYARBLWCN-LBPRGKRZSA-N 346.349 1.906 0 40 EDAB NC(=O)C1CCN(C(=O)CCc2nc(Cc3ccccc3)no2)CC1 40529671 LRUAMVJDORKNNV-UHFFFAOYSA-N 342.399 1.317 0 40 EDAB CN(C)C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1 32781271 BQHZKWDXGKPUFY-QGZVFWFLSA-N 340.427 1.888 0 40 EDAB Cc1cc(C(=O)OCC(=O)C(C)(C)C)cc(S(N)(=O)=O)c1C 21484795 GNAZWBRLQCMONP-UHFFFAOYSA-N 327.402 1.723 0 40 EDAB CCOc1ncccc1CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 32816626 KCTQPWOYPCEGGP-LLVKDONJSA-N 345.321 1.507 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NCCCOCC2CC2)cc1 21700712 ZERNPKBWNCHHLC-UHFFFAOYSA-N 326.418 1.740 0 40 EDAB CNC(=O)c1nnn(Cc2ccccc2)c1NC(=O)C(F)(F)F 108213 IDYALEAGQGDBRT-UHFFFAOYSA-N 327.266 1.187 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CC[C@H]1CCCO1 46321237 DYNQXPVPHJCEHL-GXTWGEPZSA-N 340.445 1.813 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2ccc(N(C)C)nn2)c1 71871998 YDZLSJXCQQFSHM-CQSZACIVSA-N 328.420 1.742 0 40 EDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O 2622009 WKZSBLXSDVYFJM-KRWDZBQOSA-N 342.355 1.779 0 40 EDAB C[C@@H]1CN(C(=O)c2coc(Br)c2)C[C@H]1N1CCOCC1 76054715 BSTIPUROFJVNOF-ZYHUDNBSSA-N 343.221 1.835 0 40 EDAB CN(CCN1CCN(c2ccccc2)CC1)C(=O)C[C@@H]1CCCO1 76018437 UYTQOEIHSNEBHV-SFHVURJKSA-N 331.460 1.836 0 40 EDAB CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(N(C)C)nc1 78724211 DGTJXLUXBAVSIJ-QGZVFWFLSA-N 347.507 1.636 0 40 EDAB Cc1nc(C)c(CNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)s1 78942174 YMLRLSCFVOYDBF-GFCCVEGCSA-N 334.449 1.572 0 40 EDAB C[C@H](CO)NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 41378360 AFPCDOAZGJFPNO-SNVBAGLBSA-N 334.401 1.007 0 40 EDAB Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C(F)(F)F 2684312 KUIHWOGCXYLWPW-UHFFFAOYSA-N 335.286 1.881 0 40 EDAB COc1ccccc1OCCN(C)Cc1nc2c(cnn2C)c(=O)[nH]1 52833720 KSTCSNBRPNIEKG-UHFFFAOYSA-N 343.387 1.176 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H]3C[C@H]3c3cnn(C)c3)CC2)no1 71841291 SDQHKLPSTRXPLD-HOTGVXAUSA-N 329.404 1.164 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3csnn3)CC2)cc1F 41687664 IGXTVTOQRRJYOB-UHFFFAOYSA-N 336.392 1.644 0 40 EDAB CC(C)[C@@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)NC(N)=O 4439176 JMKAQQWGJBDHBM-OAHLLOKOSA-N 334.372 1.317 0 40 EDAB C[C@H](O)CN[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O 6470910 JVJYUFFZXWVCFX-WRWORJQWSA-N 335.187 1.746 0 40 EDAB O=C1Cc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc2N1 6623277 QLICOHHSTCQLRT-UHFFFAOYSA-N 346.364 1.753 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc3c(c2)CCC3)cc1 7779963 YRNKHQZNEVTQJO-UHFFFAOYSA-N 344.436 1.682 0 40 EDAB COc1cccc(COCC(=O)N2CCC[C@@H](n3cncn3)C2)c1 72234888 IZWFCYWDHZCMRB-OAHLLOKOSA-N 330.388 1.667 0 40 EDAB COc1ccccc1OCc1ccc(C(=O)N2CC[C@@H](C(N)=O)C2)o1 53894987 LYFQBYYMYFSWEB-GFCCVEGCSA-N 344.367 1.815 0 40 EDAB CN1CCN(C(C)(C)CNCc2ccc(-n3cncn3)c(F)c2)CC1 42208600 VHBVTVJQZWOHRR-UHFFFAOYSA-N 346.454 1.522 0 40 EDAB O=C(NCCOc1ccccc1)N[C@@H]1CCCN(c2ncccn2)C1 43159916 SQRPACIEPQGEJR-OAHLLOKOSA-N 341.415 1.824 0 40 EDAB O=C(Cn1cnc2ccccc21)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101404237 XNMJSOQSWWZZKP-GJZGRUSLSA-N 348.406 1.844 0 40 EDAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12537831 UWMDEEKKXZCADH-CQDKDKBSSA-N 330.359 1.782 0 40 EDAB NC(=O)C1CCN(CCCNCc2ccc(-n3cccn3)cc2)CC1 71852301 NMANAENSTSOWFS-UHFFFAOYSA-N 341.459 1.549 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCCN(c3nccs3)CC2)CC1 71830690 BMYNLYUONLOBRB-UHFFFAOYSA-N 336.461 1.440 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)N1CCc2sccc2C1 71876303 RSORQHOAZQFNBH-OAHLLOKOSA-N 345.472 1.779 0 40 EDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccccc1F 24990310 WWDQHLAIBRVVBO-CJNGLKHVSA-N 337.395 1.685 0 40 EDAB Cc1cnn(C[C@@H]2CN(C[C@@H](O)COc3ccccc3)CCO2)c1 106665777 XBZNPVBEGUJKHH-AEFFLSMTSA-N 331.416 1.332 0 40 EDAB CC(C)n1nccc1NC(=O)CCNS(=O)(=O)c1ccccc1 22288480 RFLLRZSIBKPVHK-UHFFFAOYSA-N 336.417 1.771 0 40 EDAB COc1ccc(NC(C)=O)cc1NC(=O)NCCC(=O)N1CCCC1 43667862 PMGZENITQXZCNZ-UHFFFAOYSA-N 348.403 1.788 0 40 EDAB COc1ccc(C)cc1NC(=O)CN1CCN(C(=O)C2CC2)CC1 35267968 NMKMOOAMGIGTIM-UHFFFAOYSA-N 331.416 1.496 0 40 EDAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@]1(C)CC1(Cl)Cl 72290106 XYTYUCSPMYDWNA-GZMMTYOYSA-N 325.261 1.950 0 40 EDAB COc1ccc(-c2nnc(NC(=O)CN3CCCC3=O)[nH]2)cc1OC 72283245 PARBDSJDWSMSNA-UHFFFAOYSA-N 345.359 1.050 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2cnn(C)c2)C(=O)OC)cc1 58129567 AEDACWUNLCJEGX-CQSZACIVSA-N 345.399 1.581 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@H](C)OCC2(C)C)cc1OC 36075991 HPFKJQYLULEDAV-NSHDSACASA-N 329.418 1.892 0 40 EDAB CC(=O)N1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 48236500 VCEMKUCNJDJSOG-UHFFFAOYSA-N 338.791 1.344 0 40 EDAB COc1ccccc1C1(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CCC1 58355935 BDMZZHWZLGGTIF-ZDUSSCGKSA-N 337.441 1.668 0 40 EDAB CCc1noc(CN2CCC(NC(=O)c3scnc3C)CC2)n1 58314587 VWNURKJBFDNFDC-UHFFFAOYSA-N 335.433 1.791 0 40 EDAB C[C@@H](C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2)n1cncn1 58420231 ZVXWAXXJCQOZEC-LBPRGKRZSA-N 330.388 1.704 0 40 EDAB CCN1CCC[C@@H]1CNCc1cc2cc3c(cc2[nH]c1=O)OCCO3 23247904 KENAASCJPVJENH-OAHLLOKOSA-N 343.427 1.873 0 40 EDAB O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@@H]1CCc2nccn2C1 97197502 GUQPNQDFUFOPBY-LSDHHAIUSA-N 338.411 1.905 0 40 EDAB CCOC(=O)[C@](O)(NC(=O)c1c(F)cccc1F)C(F)(F)F 2311856 AJMGRVNPFWCABU-LLVKDONJSA-N 327.205 1.509 0 40 EDAB C[C@H](C(=O)Nc1ccccc1Cl)N1CCN(S(C)(=O)=O)CC1 24509377 ILVMTFBAAWXVFB-LLVKDONJSA-N 345.852 1.244 0 40 EDAB Cc1nc(N[C@@H]2CCc3nnc(C(C)C)n3C2)c2cnn(C)c2n1 97199302 WNKDYTBPNZJYES-LLVKDONJSA-N 326.408 1.814 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(OC[C@H]2CCCO2)c1 12910892 DGGANGNSBRTZNX-UKRRQHHQSA-N 339.413 1.161 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)cc1 97141270 VGZWGXRJXDSMRJ-UHFFFAOYSA-N 348.380 1.570 0 40 EDAB COc1ccccc1CNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 8836342 IBWIAFTXEPWRCB-UHFFFAOYSA-N 328.368 1.898 0 40 EDAB biogenic NC(=O)C1CCN(C(=O)NCc2cccc(OCC(F)F)c2)CC1 71924647 OCSFYPZSZZJRHJ-UHFFFAOYSA-N 341.358 1.737 0 40 EDAB CN(CC(=O)N1CCCCCC1)C[C@@H](O)COCc1ccccc1 71907388 ZEHSYVYHCTWSKX-GOSISDBHSA-N 334.460 1.899 0 40 EDAB O=C(Cn1c(-c2ccccc2)noc1=O)NC1CCN(C2CC2)CC1 64368583 UYYITGFRYNPZSU-UHFFFAOYSA-N 342.399 1.246 0 40 EDAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 28233767 LHZLPTRQAHYSDO-SECBINFHSA-N 346.353 1.570 0 40 EDAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)COc1ccc(C)cc1)C2 306138668 SDWVRUJPBBVSAG-MRXNPFEDSA-N 332.444 1.943 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)CCc1ccccc1 6256081 HTZHHNGJLNGKFG-OAHLLOKOSA-N 334.416 1.439 0 40 EDAB O=C(NCCNc1ncccn1)N1CCN(c2ccc(O)cc2)CC1 65443499 QZLACHRCSQWGOR-UHFFFAOYSA-N 342.403 1.126 0 40 EDAB O=C(O)CSc1nnc2c(=O)n(Cc3ccc(F)cc3)ccn12 65534225 MTDJXRPMXFXOIG-UHFFFAOYSA-N 334.332 1.255 0 40 EDAB Cc1cnc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)cn1 65607740 HRDGPLYGCMSXKG-UHFFFAOYSA-N 343.391 1.031 0 40 EDAB CCS(=O)(=O)N(C)C1CCN([C@H](C)C(=O)NC(C)(C)C)CC1 66880665 UARMRMJQEMDINF-GFCCVEGCSA-N 333.498 1.036 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCCC1=CCCCC1 15027497 JZCSVVTVXDNXQB-SFHVURJKSA-N 341.455 1.905 0 40 EDAB COCCn1cc2c(n1)[C@@H](NC(=O)c1cccnc1OC)CCC2 96002915 DTPOALJIUJKWNU-AWEZNQCLSA-N 330.388 1.741 0 40 EDAB Cn1nc(C(=O)NCC(C)(C)N2CCCCC2)c2ccccc2c1=O 9452722 NBKPFBOKEHMUGH-UHFFFAOYSA-N 342.443 1.928 0 40 EDAB Cn1c(CO)cnc1S(=O)(=O)Cc1nc(C(C)(C)C)cs1 97035093 HBJJKHRVZQJBNM-UHFFFAOYSA-N 329.447 1.640 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(Cl)c1 17029272 BHLYREOUHNMSOT-UHFFFAOYSA-N 329.743 1.982 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cc(-c3cccs3)n[nH]1)C2 69420797 QLLMUGROBNNNJJ-UHFFFAOYSA-N 328.401 1.948 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N1CCC[C@@H]1c1cccs1)C2 69616527 QDDFOJRGJQCFKV-CYBMUJFWSA-N 331.445 1.827 0 40 EDAB O[C@H](CN1CCC[C@@H]1c1nnc2n1CCCCC2)Cn1cccn1 69622986 UZNUNXOVNAAAGG-HUUCEWRRSA-N 330.436 1.399 0 40 EDAB CCOC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c1 69620350 FMGKLMZXTRCBMT-CQSZACIVSA-N 340.445 1.578 0 40 EDAB COCCN1CCN(CCS(=O)(=O)c2ccccc2)C[C@H]1C 69739688 PJQCSBGYPHLFQP-OAHLLOKOSA-N 326.462 1.113 0 40 EDAB COCCOc1ccc(CNS(=O)(=O)Cc2cc(C)on2)cc1 69775189 WQLLREXIWZWINM-UHFFFAOYSA-N 340.401 1.628 0 40 EDAB CCc1nc(C(=O)NS(C)(=O)=O)nn1-c1ccccc1Cl 69776045 QNNYFNYFOQYPJB-UHFFFAOYSA-N 328.781 1.173 0 40 EDAB COc1cccc(CC(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)c1 69742045 MYZDQKLAMKBLES-SFHVURJKSA-N 345.487 1.866 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccccc1C(F)(F)F 19898845 DZHZJWMGLHQGQL-UHFFFAOYSA-N 349.290 1.191 0 40 EDAB C[C@@H]1CN(Cc2ccc(-c3ccncc3)cc2F)C[C@H](C(N)=O)O1 92005671 GRDYQGPUNGIOML-SJKOYZFVSA-N 329.375 1.962 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2Cc2nnc(C3CC3)n2C)n1 69872936 HELZRVVDNLWOSN-OAHLLOKOSA-N 329.452 1.956 0 40 EDAB Cc1cc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)n(C)n1 96485011 KWUKAJMOYLNFCI-XJKSGUPXSA-N 330.363 1.569 0 40 EDAB CCNc1nnc(SCC(=O)N[C@H](CC(C)C)C(=O)OC)s1 9514210 UNAHXTIXPXXCBI-SECBINFHSA-N 346.478 1.766 0 40 EDAB Cc1nn2c(=O)cc(CN3CCC(c4cn[nH]c4)CC3)nc2s1 97203446 XSNPANOKMZIHIK-UHFFFAOYSA-N 330.417 1.562 0 40 EDAB O=C1NC(=O)[C@]2(CCC[C@H]2CNC(=O)C2(c3ccccc3)CCC2)N1 84525110 UYBRWRISEIRBHV-IFXJQAMLSA-N 341.411 1.603 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1CCO[C@H](CN(C)c2cccnn2)C1 84692195 FPEYAMYQENHUGN-JKSUJKDBSA-N 347.463 1.015 0 40 EDAB CCNC(=O)c1ccc(C)c(NC(=O)NCc2cc(C(N)=O)no2)c1 84791099 JDQILKJJQKNUBT-UHFFFAOYSA-N 345.359 1.153 0 40 EDAB O=C(N[C@@H]1CCc2[nH]ncc2C1)N[C@@H]1CC(=O)N(c2ccccc2)C1 95421772 FNOQVPPRMRSCNZ-ZIAGYGMSSA-N 339.399 1.372 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NC(C)(C)C(C)(C)O)c1C 95458383 FYIWVVBLOBZFPA-UHFFFAOYSA-N 329.418 1.609 0 40 EDAB Cc1nn(C)c(C)c1[C@H](NC(=O)NCC1(CO)CC1)C(F)(F)F 95460744 HAXWIRXGFFNBLA-NSHDSACASA-N 334.342 1.712 0 40 EDAB CN(CCO)C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1 95964428 DGVKJNDFQYSJOU-UHFFFAOYSA-N 348.468 1.917 0 40 EDAB Cn1ncc2c(N3CCC(C(=O)Nc4ncccn4)CC3)ncnc21 95951844 NAOLASZABONWJY-UHFFFAOYSA-N 338.375 1.008 0 40 EDAB COCCn1cc(NC(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)cn1 75137061 ITTQWXZPFVECFY-ABAIWWIYSA-N 336.367 1.912 0 40 EDAB COCCn1cc(NC(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)cn1 75137066 ITTQWXZPFVECFY-IAQYHMDHSA-N 336.367 1.912 0 40 EDAB Cc1cnc(CN(C)[C@@H]2CCN([C@@H](C)C(=O)Nc3nccs3)C2)o1 89702273 HQASFIWGFDTILJ-QWHCGFSZSA-N 349.460 1.973 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN([C@@H](C)c2cccnc2)C1 89718293 VQCHNVKDONZYNN-LRDDRELGSA-N 329.404 1.957 0 40 EDAB O=C1NC[C@H](C(=O)NCc2cccc(COc3ccccc3)c2)N1 89845802 QTVUZIIJEOQDIP-MRXNPFEDSA-N 325.368 1.563 0 40 EDAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)cc1Br 89904653 DDNUFEPXADSGRR-XCBNKYQSSA-N 342.193 1.316 0 40 EDAB CCN(C)[C@@H](C(=O)N1CCC(N2CCNC2=O)CC1)c1ccccc1 89960834 QSEJVUMJCBGCFH-QGZVFWFLSA-N 344.459 1.696 0 40 EDAB O=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(CCO)CC1 75572231 MEUWKMJUOGZQOC-UHFFFAOYSA-N 346.349 1.516 0 40 EDAB CN1CCc2nc(NC(=O)CNC(=O)c3ccc(F)cc3)sc2C1 23609659 QLBBBWNFFITBMP-UHFFFAOYSA-N 348.403 1.639 0 40 EDAB CCC[C@H](C)NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 409367343 UBMFENPDSHRQRR-AWEZNQCLSA-N 326.462 1.796 0 40 EDAB O=C(CC(F)(F)F)N1CCN(C(=O)c2cnc3[nH]ncc3c2)CC1 1010597948 HQOYPJWEEZOQOZ-UHFFFAOYSA-N 341.293 1.195 0 40 EDAB Cn1cc(CN2CCC(C)(c3[nH]ncc3S(C)(=O)=O)CC2)cn1 72388879 PLLOBSKBPNRKJG-UHFFFAOYSA-N 337.449 1.100 0 40 EDAB CN1CCN(c2ccc(C(=O)O)cc2I)CC1 39951830 GYBAYCQDHTUNAO-UHFFFAOYSA-N 346.168 1.741 0 40 EDAB CCc1ccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 36182783 BAPXEBHUEMLPSZ-UHFFFAOYSA-N 326.403 1.860 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2cc(C(F)(F)F)nn2C)CC1 32648107 MXTJRVWRXJNMLW-UHFFFAOYSA-N 333.310 1.854 0 40 EDAB Cc1cc(CCC(N)=O)cc(C2CCN(CC(=O)N(C)C)CC2)n1 72382847 JMRNCDHHOOWIIY-UHFFFAOYSA-N 332.448 1.076 0 40 EDAB Cc1ccc(-n2ccn(CC(=O)Nc3ccco3)c(=O)c2=O)cc1 72332257 YMZNZOPTJDYFHA-UHFFFAOYSA-N 325.324 1.539 0 40 EDAB Cc1cc(C(=O)NCCN2CCN(C(=O)c3ccsc3)CC2)no1 44453584 BSHCLKZTWXHDAL-UHFFFAOYSA-N 348.428 1.232 0 40 EDAB O=C(NCc1n[nH]c(=O)c2ccccc12)c1cnn(-c2ccccc2)n1 44059455 KKWBRSLYUPZGJW-UHFFFAOYSA-N 346.350 1.434 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)NCC2=CCCCC2)ccc1OC 224220621 KNWXOSOHNAYNHB-UHFFFAOYSA-N 338.429 1.834 0 40 EDAB O=C([C@@H]1CCc2[nH]cnc2C1)N1CCC(Oc2cccnn2)CC1 225514662 MTDKKHYONXYALN-GFCCVEGCSA-N 327.388 1.375 0 40 EDAB COC[C@]1(NC(=O)[C@H]2CCc3nn[nH]c3C2)COc2ccccc2C1 529959760 RLEWWWJMAUNRLN-SGTLLEGYSA-N 342.399 1.046 0 40 EDAB Cn1cnc(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)c1 571544256 BYOJBYAGWRDTLY-CJNGLKHVSA-N 325.372 1.050 0 40 EDAB C[C@@H]1CN(C(=O)NCCc2ccccc2Cl)CCS(=O)(=O)C1 192162668 AGKDRUXNEZQPRC-GFCCVEGCSA-N 344.864 1.959 0 40 EDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccc(C)cc2)c1=O 222659054 KLJPPEMMAZLDAP-UHFFFAOYSA-N 331.372 1.374 0 40 EDAB COCCn1cc(C(=O)NCCc2ccc(OC)cc2)ccc1=O 47195777 GRKPLFQNVKLHJJ-UHFFFAOYSA-N 330.384 1.476 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2CN(C(=O)c3cnccn3)C[C@H]2C1 96182303 JOKYWDFNXMAIAX-OKILXGFUSA-N 327.388 1.285 0 40 EDAB Cc1ccc(N2CC[C@H](N3CCN(C[C@H]4CCOC4)CC3)C2=O)cc1 96455421 OHPDADSIUKMPAS-MJGOQNOKSA-N 343.471 1.754 0 40 EDAB Cc1cc(S(=O)(=O)N(C)CCn2cnnc2)c(Cl)cc1F 96472827 VTGALCUFTZFHEU-UHFFFAOYSA-N 332.788 1.700 0 40 EDAB CCOCC(=O)N1Cc2nnn(C)c2[C@@H](COCc2ccccc2)C1 96198618 HNAIYFCNTHAXAD-OAHLLOKOSA-N 344.415 1.494 0 40 EDAB COCCO[C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1Cc1ccccc1 96200078 RSKHUUIJVOMTTN-ZWKOTPCHSA-N 341.411 1.965 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(Cl)c1 96193152 OUZMOEHWFAJDAP-UHFFFAOYSA-N 334.825 1.494 0 40 EDAB CC(C)Cn1cnc2c1[C@@H](C(=O)O)CN(C(=O)c1cscn1)C2 96067856 XRSFKKYRVAHVDJ-JTQLQIEISA-N 334.401 1.820 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Cc2cncnc2)cc1 583621046 PYCCBGNQOJXPSN-MJGOQNOKSA-N 341.411 1.926 0 40 EDAB O=C1C[C@@]2(CCN(c3ncccn3)C2)CN1c1ccc2c(c1)OCO2 96050782 AVIZGJWIESRLQH-GOSISDBHSA-N 338.367 1.839 0 40 EDAB CN(c1ncccn1)[C@@H]1CO[C@]2(CCN(Cc3nccn3C)C2)C1 96219778 YOTNULLIKUBERT-WMLDXEAASA-N 328.420 1.080 0 40 EDAB Cc1noc(CCNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 97378866 AAJMVVGOXDKONI-BBRMVZONSA-N 343.431 1.740 0 40 EDAB O=C(C1CCOCC1)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247877789 ULPSVGSLIPUIPZ-CQSZACIVSA-N 346.431 1.323 0 40 EDAB CCOC[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 242620206 PYCMUXXXFWUWNF-XQQFMLRXSA-N 348.262 1.694 0 40 EDAB CN1C(=O)CO[C@@H]2CCN(C(=O)c3nccc4ccccc34)C[C@@H]21 257258462 KTZVMFXBHXEUON-LSDHHAIUSA-N 325.368 1.307 0 40 EDAB CC(C)(C)c1cc(C(=O)NC[C@]2(O)CCN(c3ccccn3)C2)[nH]n1 257265616 LZLSJSWADJBICP-GOSISDBHSA-N 343.431 1.473 0 40 EDAB CCOc1ccc([C@H]2[C@H](C(=O)NCCO)CCC(=O)N2CC)cc1 257275458 NPMLMLUKZGQZKH-WBVHZDCISA-N 334.416 1.493 0 40 EDAB O=C(CCn1cnc2ccccc21)N1CCOC[C@@H]1c1ccn[nH]1 257280474 OLAXHNDKHDZALS-MRXNPFEDSA-N 325.372 1.750 0 40 EDAB CCOC(=O)c1coc(N(C)S(=O)(=O)c2cn(C(C)C)cn2)n1 585128499 CRUNIEPXDAJBGO-UHFFFAOYSA-N 342.377 1.454 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1cccc(-c2cncn2C)n1 257282121 OSKAMIGMCZXKJC-CQSZACIVSA-N 335.433 1.425 0 40 EDAB Cn1cncc1-c1cncc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 257277291 NXGCIYQZYVDOON-CYBMUJFWSA-N 349.398 1.687 0 40 EDAB CN1C[C@@]2(C)CN(C(=O)c3cc4ccccc4[nH]3)C[C@@](C)(C1)C2O 32123833 LNNRXGVMXZSMRY-YQQQUEKLSA-N 327.428 1.943 0 40 EDAB biogenic Cn1nccc1-c1ccc(F)cc1OCc1nnc2n1CCOC2 280727497 JOLCNQDKKQIRMY-UHFFFAOYSA-N 329.335 1.927 0 40 EDAB Cc1noc(C)c1CCC(=O)NCc1cn(-c2ccncc2)nn1 390829896 HIYAKCWFNAJJPO-UHFFFAOYSA-N 326.360 1.516 0 40 EDAB COC[C@@]1(CC(N)=O)CN(Cc2cc3cc(OC)ccc3[nH]2)CCO1 585278207 NGMBHBKXBHIGMB-GOSISDBHSA-N 347.415 1.269 0 40 EDAB CC(C)C(=O)N1Cc2cncn2[C@H](C(=O)NCc2cccs2)C1 585096152 VVTMRWWWFQFGQY-AWEZNQCLSA-N 332.429 1.800 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)Cc2coc3c(C)c(C)ccc23)[C@@H]1O 585285193 NCRPMDMIULAXJN-KYJSFNMBSA-N 347.411 1.731 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1cnc(C(C)C)nc1C 585288329 VPKQMHZAVCDQSC-KFWWJZLASA-N 337.420 1.409 0 40 EDAB O=C(C1CC(O)C1)N1Cc2cncn2CC[C@H]1COc1ccccc1 585097043 GWFHPNOKLJIVGA-CKDBGZEDSA-N 341.411 1.834 0 40 EDAB Cc1nn(C)cc1NC(=O)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O 585281471 YBLQMEBPJGTKLA-NXHRZFHOSA-N 342.443 1.939 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccccn2)C1 585095803 LUQIWFRUWGWEIX-MRXNPFEDSA-N 341.415 1.668 0 40 EDAB O=C(C1CC(O)C1)N1Cc2ccnn2CC[C@H]1COc1cccnc1 585097611 NPPMZKGWGGEBPE-SIWZUTFBSA-N 342.399 1.229 0 40 EDAB Cn1nc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c2ccccc2c1=O 44934307 AELAUVVBZKPCFG-LBPRGKRZSA-N 326.400 1.148 0 40 EDAB CN1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)[C@@H](CN)C1 97019713 HHXNNTUKWYUKPG-AWEZNQCLSA-N 342.418 1.966 0 40 EDAB CN(C)c1nccc(N2CCN(c3ncnc4ccccc34)CC2)n1 301351041 KLULATOKJPDFAP-UHFFFAOYSA-N 335.415 1.812 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1n[nH]c2ccccc12 225797700 GLISHUBMOBXNSD-UHFFFAOYSA-N 334.339 1.098 0 40 EDAB O=CN1CCN(C(=O)c2cccc(I)c2)CC1 224963362 ZMDGXSAKSOUMHS-UHFFFAOYSA-N 344.152 1.205 0 40 EDAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C 3175409 WJVKOPPVPCFLMG-LBPRGKRZSA-N 336.388 1.759 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2C)n1C 5209800 RXFLTGLPNWXHKM-JTQLQIEISA-N 333.417 1.727 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCOCC1 15420656 WJLOTAXLNLPMGG-UHFFFAOYSA-N 338.429 1.252 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1nc(C)c(F)c(=O)[nH]1 19580376 QORHXGOSIFPURJ-LBPRGKRZSA-N 334.351 1.728 0 40 EDAB CC[C@]1(C(=O)OC)N[C@H](c2cccc(F)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 169355858 MNQANYLTQZFWNZ-ZFRZLUBXSA-N 334.347 1.023 0 40 EDAB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C/C(N)=O)o2)cc1 226302116 QAVPNCCKGJTLRH-WEVVVXLNSA-N 334.353 1.270 0 40 EDAB COCCn1c(C)c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 4314352 VFLZELSZCDQPGU-UHFFFAOYSA-N 347.419 1.069 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](CN2CCCC2)C1 12239371 NYTGKXXXQBGOSC-CQSZACIVSA-N 326.466 1.225 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)C1CN(c2cc(-n3cncn3)ncn2)C1 575604933 IJHKBHQSCCPXQC-JSGCOSHPSA-N 341.419 1.188 0 40 EDAB COc1ccc(C)c2sc(N3CC[C@]4(C3)NC(=O)NC4=O)nc12 1888864323 PIQSSNLZGXVBIM-OAHLLOKOSA-N 332.385 1.402 0 40 EDAB CCN=c1ccnc(N2CCN(Cc3ccc(F)c(F)c3)CC2)[nH]1 1889128725 RMXNENSWTHLJRG-UHFFFAOYSA-N 333.386 1.931 0 40 EDAB COc1cc(F)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1OC 28326102 VYHAHUQRYZMLEM-ONGXEEELSA-N 333.381 1.689 0 40 EDAB O=C(NCCn1nnc2ccc(F)cc2c1=O)c1cc(C2CC2)on1 238832811 GHYKYOULWBKFBN-UHFFFAOYSA-N 343.318 1.226 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CC[C@H](Oc3ccccn3)C2)c1 238922334 UDYFOMKWPMDUEY-ZDUSSCGKSA-N 336.417 1.701 0 40 EDAB COCCn1cnnc1C1CCN(C(=O)[C@@]2(C)CCCCN2C)CC1 2037597108 TYEMAABJLGBCOU-GOSISDBHSA-N 349.479 1.505 0 40 EDAB Cc1cncc(C(=O)N2CC[C@@H]3OCC(=O)N(C(C)C)C[C@H]3C2)c1 2037984665 JCSMAYPXJOELSS-CVEARBPZSA-N 331.416 1.488 0 40 EDAB COc1ccc(/C=C/C(=O)N2CC(N3C(=O)CCC3=O)C2)cc1OC 253475516 UNUIVEBVFMEBSC-GQCTYLIASA-N 344.367 1.077 0 40 EDAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1 1565544843 STXGBQCIYYZACA-INIZCTEOSA-N 347.459 1.870 0 40 EDAB COc1ccc(NC(=O)CSc2nc(=O)n3ccccc3n2)cc1 4499740 ICBDRYUATNNPSM-UHFFFAOYSA-N 342.380 1.829 0 40 EDAB COc1cccc(CNC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)c1 5353096 FNJDESMOLOEMGG-HNNXBMFYSA-N 348.399 1.113 0 40 EDAB CC(C)CCNC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055714914 YULPYPJLCCWYCP-CYBMUJFWSA-N 332.448 1.890 0 40 EDAB O=C(NCC1CC1)c1noc2c1C[C@H](Nc1ncc(F)cn1)CC2 2055734546 IBLYREWTMJOBQR-LLVKDONJSA-N 331.351 1.713 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2ccc(F)cc2)C1 2055772361 BVCPGWSEGWEZCK-QGZVFWFLSA-N 330.363 1.400 0 40 EDAB CCOc1ccc(-n2nnc3c(N4CCNCC4)ncnc32)cc1 26422991 CSSNFTGNAXJMJQ-UHFFFAOYSA-N 325.376 1.019 0 40 EDAB CC(C)c1noc(CN2CCN(c3ccc(N(C)C)nn3)CC2)n1 2086884650 CCOPFMXNROQETP-UHFFFAOYSA-N 331.424 1.371 0 40 EDAB COc1cccc(S(=O)(=O)N2CC(Oc3nccs3)C2)c1 208032933 JFMDEZVITGZDOU-UHFFFAOYSA-N 326.399 1.604 0 40 EDAB COc1cccc(NC(=O)CN2CCC[C@H](NC(=O)C3CC3)C2)c1 1006533094 YYKBRPWZESEUEO-HNNXBMFYSA-N 331.416 1.624 0 40 EDAB CN(C)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)Cc2ccco2)cc1 206621301 QBWHUNWJSZNNLT-SFHVURJKSA-N 345.399 1.394 0 40 EDAB COC(=O)c1ccccc1C(=O)N1CC[C@@H](Oc2ccnc(C)n2)C1 575614278 YKDJZEMDHYOHQT-CYBMUJFWSA-N 341.367 1.865 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccoc2)c(OC)c1 75171990 RMROCMYTOVZUDG-CYBMUJFWSA-N 334.328 1.085 0 40 EDAB C[C@@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C[C@@H](C)O1 40536482 PBRUFHAKQXKNHF-CHWSQXEVSA-N 328.434 1.673 0 40 EDAB O=C(NCCc1ccc(F)cc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 40073490 HGIRTHNFMMCETJ-NSHDSACASA-N 332.297 1.895 0 40 EDAB CN1C(=O)COc2ccc(NC(=O)C(=O)NC3CCCCCC3)cc21 40267904 SJLLEEZJKDNZOQ-UHFFFAOYSA-N 345.399 1.819 0 40 EDAB C[C@@H]1CCCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 40476320 QLRDJNJGQBIBAT-GFCCVEGCSA-N 325.434 1.318 0 40 EDAB Cc1ccc(OCCN2CCN(CC(=O)N3CCCC3)CC2)cc1 40465905 XQPLJBQYUAFHLP-UHFFFAOYSA-N 331.460 1.614 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCCc2ccccc2)no1 40528843 NVLUWPSNHGOQRY-ZDUSSCGKSA-N 336.413 1.645 0 40 EDAB CN(C)C(=O)CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 40528476 TTXSPRSQOPRZSC-UHFFFAOYSA-N 333.793 1.114 0 40 EDAB O=C(CN1CCC[C@H]1Cc1cccc(F)c1)N[C@@H]1CCCCNC1=O 52035356 SCHCNGDJMRBRBB-DLBZAZTESA-N 347.434 1.618 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2O)CC1 52152761 OTQBVUABQULPRM-UHFFFAOYSA-N 332.809 1.153 0 40 EDAB COc1cccc(CC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 41165913 MXKIQBIUSGDBCC-CQSZACIVSA-N 340.445 1.026 0 40 EDAB CCc1cc(NC[C@@H]2CCN(CC(F)(F)F)C2)n2ncnc2n1 52412994 WKWUQHJDVPGVTM-JTQLQIEISA-N 328.342 1.983 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H]2CCCN(c3cnccn3)C2)c(=O)[nH]1 29759247 IOAUMZPXLICGIQ-AWEZNQCLSA-N 341.415 1.315 0 40 EDAB CCNC(=O)Cc1ccc(NCc2cc(=O)n3ccccc3n2)cc1 46491657 QMEMURSQVHGEGA-UHFFFAOYSA-N 336.395 1.985 0 40 EDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 32902517 DQFKEAZHLKHXCF-CHWSQXEVSA-N 343.431 1.995 0 40 EDAB CC(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 818520 BRCRDPAQJDICLM-GFCCVEGCSA-N 328.409 1.751 0 40 EDAB O=C(CN1CCN(C(=O)Cc2ccc(F)cc2)CC1)NC1CCCC1 32923781 WVYVRCMIIXZYAN-UHFFFAOYSA-N 347.434 1.571 0 40 EDAB Cc1c(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)cnn1C 69530415 MLSJCJKNGBJPQZ-UHFFFAOYSA-N 338.371 1.283 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 41448410 QHJPUCPBXFIJKA-AWEZNQCLSA-N 348.424 1.838 0 40 EDAB COc1ccccc1C(=O)NCCC(=O)NCCC(=O)OC(C)C 52968388 PFLFZIQXWKLKRI-UHFFFAOYSA-N 336.388 1.273 0 40 EDAB Cc1c(C(=O)NCc2nnc3n2CCC3)[nH]c2c1C(=O)CC(C)(C)C2 22191538 KCEYMMAXAMUWNF-UHFFFAOYSA-N 341.415 1.946 0 40 EDAB COCCCn1nnnc1SCC(=O)N1c2ccccc2C[C@@H]1C 4883416 OYYOGOABSJEUMA-LBPRGKRZSA-N 347.444 1.780 0 40 EDAB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2)c1 6458112 SCZHHRMDYORYKI-UHFFFAOYSA-N 327.340 1.389 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@@H](c2cccc(F)c2)N1 12113420 KZLQTEGPKPTQSG-IUODEOHRSA-N 331.347 1.455 0 40 EDAB Cc1nnc(S/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)C(=O)O)o1 7603735 JZNFGQXJJVINQZ-GHXNOFRVSA-N 346.368 1.786 0 40 EDAB Cc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1ccccc1 102016540 SKVLQVXVOFRSCK-OTRWWLKZSA-N 337.379 1.907 0 40 EDAB C[C@H](NC(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccccc1 8181736 KDONMWOYLGVXKZ-LBPRGKRZSA-N 336.388 1.981 0 40 EDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C(C)C)cc(C(=O)O)c12 8986128 MUFBSSSLHHZERP-JTQLQIEISA-N 337.401 1.921 0 40 EDAB Cc1csc(N2CCN(C(=O)NCc3ccnc(C)n3)CC2)n1 57075842 DPFJSLPMQAWLOI-UHFFFAOYSA-N 332.433 1.582 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)NC2CCCCC2)C[C@@H](C)O1 47579392 CQXUQMYBCAQCDO-BETUJISGSA-N 347.481 1.057 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)Cn1cc(Br)ccc1=O 47528798 LIHLRJFHFJIPEA-VHSXEESVSA-N 329.194 1.247 0 40 EDAB C[C@H](N)C(=O)N1[C@@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 100146397 JJGKMUOINUOBSS-NWANDNLSSA-N 328.416 1.268 0 40 EDAB CN(C)C(=O)N[C@H]1CCOC2(CCN(Cc3ccccn3)CC2)C1 108528216 OLGCRRANXONXCT-HNNXBMFYSA-N 332.448 1.866 0 40 EDAB Cc1nc(N2CCN(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3O4)CC2)sc1C 104315627 DRNRPUUZVJMISM-MJBXVCDLSA-N 336.461 1.911 0 40 EDAB CCS(=O)(=O)c1cccc(CC(=O)N2[C@@H](C)CN(C)C[C@H]2C)c1 97141700 XGDROPMCNYRHML-OKILXGFUSA-N 338.473 1.574 0 40 EDAB CNC(=O)c1cccc(NC(=O)COc2ccc3c(c2)OCCO3)c1 12599278 YZGGAGVYLZWDMG-UHFFFAOYSA-N 342.351 1.835 0 40 EDAB Cc1cc(OCC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)no1 24990641 BMVUHQAJRLHLHJ-CQSZACIVSA-N 329.356 1.992 0 40 EDAB CCCn1nc(C(=O)N(C)Cc2ccc3c(c2)OCO3)ccc1=O 25249438 BHKUBLPUMNOHML-UHFFFAOYSA-N 329.356 1.654 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N[C@H](C)CN3CCCC3=O)ccc21 55813477 WAYULGAOOQQZLL-GFCCVEGCSA-N 329.400 1.336 0 40 EDAB Cn1cc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)cn1 56019794 SBHNUPHZBWPKRO-UHFFFAOYSA-N 332.385 1.799 0 40 EDAB O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4ccccc4N1[C@H]25)C/C3=C\CO 102854420 PNYOGGAOQVIZDM-JOBUOBKVSA-N 334.419 1.996 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)N(Cc1ccsc1)C1CC1 69600238 UXXPGJRQVKOPMR-ZDUSSCGKSA-N 331.445 1.435 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@@H](n3ccnc3)C2)ccc1=O 69620257 WWNJYGQNPSNATH-CQSZACIVSA-N 329.404 1.717 0 40 EDAB O=C1NC(=O)[C@H](CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)N1 57071886 MURNZJWMQUSUHM-JQWIXIFHSA-N 342.355 1.132 0 40 EDAB COc1ncccc1CNC(=O)NCc1ccc2c(c1)OCCO2 26384752 LZPKMYIYLLYPGV-UHFFFAOYSA-N 329.356 1.861 0 40 EDAB Cc1ccc(-n2nnnc2N2CCC[C@H](C(=O)NCC3CC3)C2)cc1 54060279 YEXVPZAHYAGZHH-HNNXBMFYSA-N 340.431 1.713 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 69654237 YGTWXXRCRWEDIB-KBPBESRZSA-N 348.447 1.218 0 40 EDAB COc1ccc(CN[C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1F 72300591 NBYMZQHVXCEWIW-FZMZJTMJSA-N 330.425 1.594 0 40 EDAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccccc1OC(F)F 10114264 LLTHCWDVBQWYCT-JOYOIKCWSA-N 329.347 1.987 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(Cc3nnc(C(C)(C)C)o3)C2)C1=O 84597429 MNTWFXYNVZMKFZ-MRXNPFEDSA-N 335.408 1.272 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 58210862 NZRAKWTUFSJLJI-ZDUSSCGKSA-N 345.399 1.107 0 40 EDAB CC(=O)N1C(=O)[C@@]2(NC(N)=Nc3nc4ccccc4n32)c2ccccc21 22248305 ARGXXTYPCXGXFA-GOSISDBHSA-N 346.350 1.180 0 40 EDAB CCCC(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 95399174 HMFDOINTRPXOMK-INIZCTEOSA-N 346.427 1.837 0 40 EDAB COc1cccc(OC)c1OC[C@@H](O)CN1C[C@H](C)O[C@H](C)C1 21348161 SVHIBLHKENVHQS-MJBXVCDLSA-N 325.405 1.553 0 40 EDAB C[C@@H]1CN(CC(=O)N(C)Cc2ccco2)CCN1c1nccs1 95373376 FVIYMBJOZOATIQ-CYBMUJFWSA-N 334.445 1.905 0 40 EDAB O=C(COc1nc(-c2ccccc2Cl)no1)NC(=O)NC1CC1 58305318 FVNQPOUNNBWNQT-UHFFFAOYSA-N 336.735 1.757 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)Cn2nnnc2C2CCCC2)c1 58424085 FNWNHFBNPJVOMO-UHFFFAOYSA-N 349.416 1.373 0 40 EDAB O=C(CN1CCc2sccc2C1)NCCc1nnc2ccccn12 58784188 AOMIOAGXWSGSID-UHFFFAOYSA-N 341.440 1.508 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 36674515 XXGYRZOKAHQAEH-GXTWGEPZSA-N 346.383 1.106 0 40 EDAB CN(C)c1cccc(N2C(=S)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 2402328 BZUKHUMTXMZIDM-RYUDHWBXSA-N 328.484 1.756 0 40 EDAB COc1cccc2c(C)c(C(=O)N[C@H](C)C(=O)N3CCOCC3)oc12 69776025 OOCKDLAQBBKFKF-GFCCVEGCSA-N 346.383 1.727 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC(C(N)=O)CC1 29567594 UYCBUAVGERZLCB-UHFFFAOYSA-N 327.384 1.916 0 40 EDAB Cc1ccc(F)cc1C(=O)NCCS(=O)(=O)N1CCSCC1 69809704 NDVPMXONGLIPSO-UHFFFAOYSA-N 346.449 1.243 0 40 EDAB Nc1nccnc1C(=O)NCC1CCN(Cc2ccccc2F)CC1 69812459 NMALXGIJJJNBBI-UHFFFAOYSA-N 343.406 1.840 0 40 EDAB O=[S@@](CCSc1nnnn1C1CCOCC1)c1ccccc1 69975621 QRZVQGSVLKCWJG-JOCHJYFZSA-N 338.458 1.925 0 40 EDAB C[C@H](O)CN1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 69948962 LKGYPCIUQHFWKK-PKOBYXMFSA-N 345.487 1.739 0 40 EDAB CN(C)S(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1F 22526374 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C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 71829799 HTFSHPCRZUHQEA-JHJVBQTASA-N 347.390 1.291 0 40 EDAB O=C1CCCN1c1ccc(OCC(=O)N2CCCn3ncnc32)cc1 71826680 JUCVYCZDXSOUFN-UHFFFAOYSA-N 341.371 1.221 0 40 EDAB CCCc1nc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)no1 71824533 OTMSBPNUWKDBLS-QGZVFWFLSA-N 342.355 1.752 0 40 EDAB CCN1CCN(C2CCN(CC(=O)Nc3ccncc3)CC2)C1=O 71871868 YEILLCJOABFBFO-UHFFFAOYSA-N 331.420 1.242 0 40 EDAB Nc1nc(SCC(=O)N[C@H](c2ccccc2)c2nccs2)n[nH]1 71887999 IFHUDIIFCBYUBW-LLVKDONJSA-N 346.441 1.841 0 40 EDAB Cc1cnn(C[C@H]2CCCN2CC(=O)N(C)Cc2cnn(C)c2)c1 71875937 ZSEJVMVJVFQPIU-MRXNPFEDSA-N 330.436 1.048 0 40 EDAB CS(=O)(=O)N1CCC(N[C@H]2CCCN(C3CCCCC3)C2)CC1 95422245 OJBAMEBLFFDMSW-INIZCTEOSA-N 343.537 1.797 0 40 EDAB CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 71915443 ONCQXIBLUIFRBF-VXGBXAGGSA-N 335.370 1.196 0 40 EDAB O=C(COC(=O)[C@@H](c1ccccc1)N1CCSCC1)NC1CC1 71921322 UABIUTYXRYIGEF-MRXNPFEDSA-N 334.441 1.598 0 40 EDAB O=C1NC[C@H]2CN(c3nc4ccccc4nc3N3CCCC3)CCN12 95449420 MLATUOGWTDXERS-ZDUSSCGKSA-N 338.415 1.444 0 40 EDAB C[C@H]1CN([C@@H](CNc2ccc3nnnn3n2)c2cccs2)CCO1 72276398 GTDJZTDDXSDIPH-RYUDHWBXSA-N 345.432 1.455 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c(OC)c1 72269054 KLGXKBVOFZCXOK-IAGOWNOFSA-N 348.443 1.304 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)Nc2cccc(CC(=O)O)c2)CC1 95401135 QAUYYWLVFICOTM-UHFFFAOYSA-N 333.388 1.646 0 40 EDAB COCCn1cc(NC(=O)c2nn(-c3ccccc3F)cc2O)cn1 89420275 GFCVHTPBLQKMHO-UHFFFAOYSA-N 345.334 1.812 0 40 EDAB CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)OC 75109919 WPZLFVSLQYZIAW-CYBMUJFWSA-N 340.401 1.043 0 40 EDAB C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2n[nH]c(O)n2)CC1 75159360 RHSPOEIJRMSNGY-SNVBAGLBSA-N 335.795 1.683 0 40 EDAB Cc1cccc2c1N(C(=O)CCn1c(=O)[nH]c(=O)c3ccccc31)CC2 89688972 VGVDWOZYYDPGBO-UHFFFAOYSA-N 349.390 1.978 0 40 EDAB CS(=O)(=O)CCC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 75208566 RPKNSPFABJDDCR-UHFFFAOYSA-N 341.820 1.958 0 40 EDAB O=C(NCC(F)(F)F)N1CCN(Cc2cn3ccccc3n2)CC1 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349.350 1.593 0 40 EDAB COc1ccc([C@@H](NC(=O)CN2CCCC[C@@H]2C(N)=O)C(C)C)cc1 44891967 NOGJVXWBQJAPKQ-AEFFLSMTSA-N 347.459 1.848 0 40 EDAB Cc1cc(N(C)C)ccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 40535908 ZEWLPBOVNNHUOJ-GJZGRUSLSA-N 341.411 1.951 0 40 EDAB C[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@H]1C(=O)O 569724604 XWPJINNNRITKCF-GXFFZTMASA-N 340.401 1.665 0 40 EDAB Cc1noc(CS(=O)(=O)CC(=O)Nc2ccc(C)c(F)c2)n1 46129420 KDLAGNIOONIILC-UHFFFAOYSA-N 327.337 1.379 0 40 EDAB O=C(Nc1ccn(CC(F)(F)F)n1)N[C@@H]1CCc2ncnn2C1 133104678 CBNPEDJUBYOOKN-MRVPVSSYSA-N 329.286 1.173 0 40 EDAB Cc1oncc1C(=O)N1CC(n2cc(COc3ccccc3)nn2)C1 225628263 BOILQLYUCQVPFQ-UHFFFAOYSA-N 339.355 1.851 0 40 EDAB O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCCO1 96445578 OJYMCJOLCMZYGF-KRWDZBQOSA-N 330.428 1.763 0 40 EDAB Cc1oncc1C(=O)NCCCN1CCN(c2ccccc2)CC1 96025717 KVAFEDSLZCJAJI-UHFFFAOYSA-N 328.416 1.925 0 40 EDAB Cn1cc(C(=O)NCC2CCN(CCOCC(F)(F)F)CC2)cn1 96414870 ILCOLISPGWQQBY-UHFFFAOYSA-N 348.369 1.441 0 40 EDAB C[C@@](O)(CNC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccsc1 96444466 GFAMXRXZXRPNQS-CXAGYDPISA-N 348.424 1.970 0 40 EDAB O=C([C@H]1CCOC1)N1CCN(CCn2cccn2)c2ncccc2C1 96198995 JHIAIJBAAVVREO-INIZCTEOSA-N 341.415 1.163 0 40 EDAB COCCN1CCOC[C@]2(CCCN(C(=O)c3cccs3)C2)C1 96228782 PCDDAXDHBXILIP-QGZVFWFLSA-N 338.473 1.949 0 40 EDAB O=C(c1ccncc1)N1CC[C@@]2(C[C@@H](Oc3ncccn3)CO2)C1 96072566 XFSVUYOGKGPXST-RHSMWYFYSA-N 326.356 1.324 0 40 EDAB O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccccn1)N1CCCC1 96041672 ZCWGAHFMLQOTLB-YQVWRLOYSA-N 345.443 1.452 0 40 EDAB O=C(c1ccncc1F)N1C[C@@H]2CCN(c3ncccn3)C[C@@H]2C1 96246208 NQQWSKCJFKCVME-QWHCGFSZSA-N 327.363 1.609 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(CC2CC2)C1 96244588 WHSUIGZONDXMSP-LJQANCHMSA-N 344.459 1.505 0 40 EDAB O=S(=O)(NC[C@]1(O)CCCc2ccccc21)c1cncc(F)c1 96483491 FZXILECKNFCZTM-MRXNPFEDSA-N 336.388 1.723 0 40 EDAB C[C@@H](CCc1cccc(F)c1)NS(=O)(=O)N1CCOC[C@H]1C 96428055 WCCKZSOJDLOHEX-QWHCGFSZSA-N 330.425 1.702 0 40 EDAB COC[C@H]1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 96437285 RYTAOGPYUNTFCO-ZWKOTPCHSA-N 332.444 1.772 0 40 EDAB COCCc1nc(Cn2nnnc2C)n(-c2cccc(Cl)c2C)n1 97307757 JAJYHLKJNGBOGV-UHFFFAOYSA-N 347.810 1.761 0 40 EDAB O=S1(=O)CC[C@H](NC[C@H](O)CO[C@H]2CCCc3ccccc32)C1 245228130 FZHKONYHLVEDDV-ZOBUZTSGSA-N 339.457 1.218 0 40 EDAB CN(C)c1cc(N2CC3(C[C@@H](COCC4CC4)CCN3C)C2)ncn1 248135102 RINVWGSPBYQEFS-INIZCTEOSA-N 345.491 1.870 0 40 EDAB NC[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242554612 MOKXKSTYTPKBHM-INMHGKMJSA-N 349.383 1.795 0 40 EDAB O=C([C@H]1CCOC1)N1CC[C@]2(CCCN(Cc3nccs3)C2)C1 247888627 XPKRLHRWHYBYSJ-YOEHRIQHSA-N 335.473 1.994 0 40 EDAB COCc1nc(C)cc(NCCNc2ncnc3sccc23)n1 585092462 YECJCIAXHVCGAD-UHFFFAOYSA-N 330.417 2.460 0 40 EDAB CC(C)CCn1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)nn1 585082760 ZMZOTHDQZGZBDB-IUODEOHRSA-N 335.452 1.747 0 40 EDAB CCOCn1nc(C)c(CC(=O)N[C@H](C)[C@@H](C)C(=O)OCC)c1C 585089563 WZNWVNZUCFWPHD-VXGBXAGGSA-N 339.436 1.740 0 40 EDAB COc1ccc(C(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)cn1 257296756 REGQFYOXAOTWJS-CHWSQXEVSA-N 341.358 1.007 0 40 EDAB C[C@H]1CCn2cc(C(=O)N3CCC[C@H](CN4CCOCC4)C3)nc2C1 585129604 PDGMIKKYGJVCCG-JKSUJKDBSA-N 346.475 1.650 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H](CO)Cc2cccc(F)c21 585127232 UFSQKHYMDQSOBJ-GUTXKFCHSA-N 337.391 1.907 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C[C@@H](O)C2CC2)CC1 85436646 LYGVZIZFAZSURO-BAXHPOPBSA-N 344.411 1.344 0 40 EDAB CN(C)c1cccc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257202909 ANWPBWSQRCIQTQ-INIZCTEOSA-N 343.431 1.724 0 40 EDAB CC(C)c1cc(C(=O)N2CCC[C@](O)(CN3CCCC3)CC2)[nH]n1 257227208 FOCXNAWMVRRGQP-GOSISDBHSA-N 334.464 1.986 0 40 EDAB CCn1nc(C(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)cc1C 257207198 BGTKKLKNMYNPNS-ZIAGYGMSSA-N 342.390 1.128 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2Cc2ccccc2OCC(=O)O)n1 257268058 MKAKCDQMMUFHHR-CQSZACIVSA-N 331.372 1.755 0 40 EDAB COC(=O)c1ccc([C@@H](NC(=O)N2CC[C@H](O)C2)C(F)(F)F)cc1 361111548 SZFDTKVMWUBOJM-NWDGAFQWSA-N 346.305 1.853 0 40 EDAB Cc1ccc(O)c(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)n1 1615615646 QAJJLCFDGJZPSA-UHFFFAOYSA-N 349.412 1.090 0 40 EDAB Cc1cc(C(=O)N[C@]2(CO)CCCNC2)ccc1NC(=O)CC(C)C 1616035952 BXKQUBHJQVDFEG-LJQANCHMSA-N 347.459 1.824 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 575405727 UZSWCLCEGDYXAV-AWEZNQCLSA-N 342.486 1.898 0 40 EDAB COCc1nnc2n1CCN(C(=O)Cc1ccc(F)cc1OC)[C@H]2C 585097056 GYYFWEIGMIALCR-NSHDSACASA-N 348.378 1.718 0 40 EDAB CN(C)CC(=O)NC[C@H]1CC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O 585286486 YRBXNYIPWRHUPB-DJSGYFEHSA-N 326.824 1.536 0 40 EDAB O=C(NCC1CC1)[C@@H]1CO[C@H]2CN(C(=O)Cc3ccccc3)C[C@H]12 585108396 FFWARBRFRCUDOD-ZACQAIPSSA-N 328.412 1.229 0 40 EDAB CO[C@H]1CCCN(CC(=O)Nc2nonc2C)[C@H]1Cc1ccccc1 585277473 VLDGKCIYBPYSGU-HOTGVXAUSA-N 344.415 2.039 0 40 EDAB COC[C@H](C)N1CCN([C@H]2CCCN(c3ccccc3F)C2=O)CC1 95978801 KKRFYRBJRRNBLT-YJBOKZPZSA-N 349.450 1.974 0 40 EDAB O=S(=O)(c1cccc(Cl)c1)N1CCC(N2CC[C@@H](O)C2)CC1 96104528 CGWCELWVKYRXCR-CQSZACIVSA-N 344.864 1.560 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)s1 96122023 FUCVIMPMBDYSFN-UHFFFAOYSA-N 337.488 1.500 0 40 EDAB O=C(NCCn1cccnc1=O)c1ccc(OC2CCCC2)nc1 828163221 ACPPKMFBZHVIHC-UHFFFAOYSA-N 328.372 1.390 0 40 EDAB Cc1[nH]ncc1C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 89544393 PICQPLQYARJCFC-SJORKVTESA-N 326.400 1.444 0 40 EDAB CC(C)(O)CNS(=O)(=O)c1cc(F)ccc1N1CCSCC1 1615051184 ZAFGITAYPIXSOG-UHFFFAOYSA-N 348.465 1.428 0 40 EDAB Nc1ccn2ncc(C(=O)N3CCO[C@H](CC(F)(F)F)C3)c2c1 1615553799 NPTZVXVSHONHOG-SNVBAGLBSA-N 328.294 1.710 0 40 EDAB C[C@@H]1Nc2ccnn2[C@H](C)[C@H]1CCC(=O)NC[C@@H](C)N1CCOCC1 1616042114 JKXGOQLBHUVTNQ-QXSJWSMHSA-N 349.479 1.491 0 40 EDAB CCc1nn(C)c(C(N)=O)c1NS(=O)(=O)c1cc(C)cc(F)c1 1616042389 VPTVGFPGOSHRHT-UHFFFAOYSA-N 340.380 1.330 0 40 EDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCc1ccc(F)cc1 14183314 LFYCXJLJFFSAOB-UHFFFAOYSA-N 344.342 1.643 0 40 EDAB Cn1cncc1CN1CCC[C@@H](c2nnsc2S(C)(=O)=O)C1 19291823 FMQQGPBSNZTTJG-SNVBAGLBSA-N 341.462 1.055 0 40 EDAB COc1ccc(CCCNC(=O)C[C@@H]2SC3=NCCN3C2=O)cc1 19554663 LQGRVBCJRNDVRN-AWEZNQCLSA-N 347.440 1.448 0 40 EDAB Cn1cncc1CN1CCOC[C@](O)(COc2cccc(F)c2)C1 643914674 VTCLVFXRANDXFH-KRWDZBQOSA-N 335.379 1.202 0 40 EDAB O=S(=O)(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1ccccc1Cl 252484842 GJIBLGAVMYAMCS-RTXFEEFZSA-N 331.821 1.955 0 40 EDAB Cc1cc(CN2CCN(c3cc(C4CCOCC4)ncn3)CC2)no1 1888843525 LKWUTHIPWNOEIJ-UHFFFAOYSA-N 343.431 1.989 0 40 EDAB COCc1nsc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)n1 1888853075 DRFZZHGHERRSOE-VXGBXAGGSA-N 344.396 1.310 0 40 EDAB Cc1nc2ccccc2nc1N1CCO[C@@H](C(=O)N2CCOCC2)C1 1889136140 VLAWTYVWXRHBJO-MRXNPFEDSA-N 342.399 1.002 0 40 EDAB c1cnn(-c2cc(N3CCN(c4ccn5nccc5n4)CC3)ncn2)c1 1889205844 SDOSUSUFHFZJHC-UHFFFAOYSA-N 347.386 1.032 0 40 EDAB CC[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)N1CCCC1 24796759 GXIZPHPAHOPLQC-CQSZACIVSA-N 328.416 1.387 0 40 EDAB COc1ccc(-c2nnc([C@@H](C)N3CCN(C(C)=O)CC3)o2)cc1 29994210 WXSVJNVYCMIPPG-GFCCVEGCSA-N 330.388 1.970 0 40 EDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 31050419 XFJMYRIHXBQNSM-OAHLLOKOSA-N 343.427 1.324 0 40 EDAB O=S(=O)(N[C@H]1CC[C@H](Oc2ncccn2)CC1)c1cccnc1 240122550 WCKZDBZZQDGFCY-JOCQHMNTSA-N 334.401 1.540 0 40 EDAB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O 100038562 CJDRUOGAGYHKKD-ZVOKQNHLSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro Cn1cc(N2C[C@]3(CCN(C(=O)C4CC(F)(F)C4)C3)CC2=O)cn1 1614937388 UICZBBVRAHNJCH-OAHLLOKOSA-N 338.358 1.421 0 40 EDAB C[C@@]1(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)NCC3CC3)C2)CC=CCC1 1565555344 XUXDYSVFXVYTGE-YKTARERQSA-N 332.444 1.875 0 40 EDAB O=C(NC[C@H]1CCCO1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374295 ONKBFRNXKVIWHD-GXTWGEPZSA-N 337.807 1.924 0 40 EDAB O=C(CSc1nc(=O)n2ccccc2n1)NCCc1ccccc1 4499764 NNQRTRYDMXMPJR-UHFFFAOYSA-N 340.408 1.541 0 40 EDAB Cc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)cc1C 1775973275 DLEVSRJXGOSCHQ-UHFFFAOYSA-N 338.473 1.837 0 40 EDAB Cc1cc(N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)ncn1 2086866201 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EDAB CCCn1nc(C(=O)NC[C@@H](C)Cn2nc(C)cc2C)ccc1=O 40541146 DWYOOOUFKGDOHL-GFCCVEGCSA-N 331.420 1.533 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1F 51161333 MIIWZIZFTPJWAP-GFCCVEGCSA-N 340.420 1.813 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]12 101021491 KLEYYSKCIOEDSL-AAEUAGOBSA-N 344.327 1.078 0 40 EDAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(F)c1 101308846 NBGFLGQHPIBCHE-SLEUVZQESA-N 340.420 1.897 0 40 EDAB CNc1nc(OC)nc(-n2cnc(SCc3ccccc3)n2)n1 20745410 TVNXRPLCAPLBFJ-UHFFFAOYSA-N 329.389 1.795 0 40 EDAB O=c1c(NCc2ccco2)c(NC[C@@H]2COc3ccccc3O2)c1=O 101695294 QQKKTWPJGQOWKY-GFCCVEGCSA-N 340.335 1.740 0 40 EDAB COc1cccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2)c1 379228 GFJKVMHCPFZZBN-UHFFFAOYSA-N 348.424 1.979 0 40 EDAB O=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CCC3)ccc21 32721259 IJQMSJKLLYYIHQ-UHFFFAOYSA-N 327.361 1.910 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)Cc3c(F)cccc3Cl)CC2)N1 21473642 DTKWMZBOEWYDIP-UHFFFAOYSA-N 339.754 1.222 0 40 EDAB CSCc1nc2ccccc2n1CC(=O)NCCC[S@](C)=O 69700885 MMJBMWJUDWCAAY-JOCHJYFZSA-N 339.486 1.784 0 40 EDAB CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)nn(C)c1C 69705799 KQIPPAPUIRPDCB-CYBMUJFWSA-N 342.465 1.058 0 40 EDAB O=C(Nc1ccc(N2CCCC2)c(F)c1)N[C@@H]1CCS(=O)(=O)C1 69708035 ONSRIWFUGUMJMS-GFCCVEGCSA-N 341.408 1.735 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)N[C@@H]1COc2ccccc21 60473179 FYRHVZKQFIYCNY-CQSZACIVSA-N 332.306 1.945 0 40 EDAB Cc1cc(NC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)n(C)n1 69742387 QRGMMDGNJHTBFN-CYBMUJFWSA-N 327.388 1.935 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)Nc2cccc3cccnc23)cn1 78869935 VXJXNOMEKDLBOO-QGZVFWFLSA-N 325.372 1.998 0 40 EDAB C[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)C[C@H]1N(C)C 78896444 PCELKNWDPSFLOX-MLGOLLRUSA-N 333.407 1.975 0 40 EDAB Cc1nnnn1-c1cc(NCC(=O)N(C)Cc2ccco2)ccc1F 79016764 WJTVEGYXVKHZBP-UHFFFAOYSA-N 344.350 1.773 0 40 EDAB NS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(Br)cc2)C1 79111230 YZUHEMKQHWRIHD-JTQLQIEISA-N 348.222 1.344 0 40 EDAB COc1ccc(S(=O)(=O)N2CCOC(=O)C2(C)C)cc1OC 12193301 YGKFPEIROWOUFY-UHFFFAOYSA-N 329.374 1.030 0 40 EDAB CN(C)c1ccc(NC(=O)C[C@H](NCc2cccnc2)C(=O)O)cc1 4139383 CXBVJKOCUFEOKU-INIZCTEOSA-N 342.399 1.719 0 40 EDAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc(N)s3)nc2c1 6505581 HKJAOXUOZCFULK-UHFFFAOYSA-N 349.397 1.436 0 40 EDAB COc1cc(Br)c(CC(=O)OCC(N)=O)cc1OC 7802205 QVGXWWAZLOBZSB-UHFFFAOYSA-N 332.150 1.037 0 40 EDAB CC(C)[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)c1ccc(F)cc1 47207800 HUQPALMSTQSZTD-MRXNPFEDSA-N 342.436 1.369 0 40 EDAB O=C(/C=c1/[nH]c(=O)/c(=C/c2ccccc2F)s1)c1ccncc1 103018477 RXUMYIRDHMCNRO-VULZFCBJSA-N 326.352 1.463 0 40 EDAB Cc1nn(C)c2cnn(CCNC(=O)[C@@H]3COc4ccccc4O3)c12 57279785 XKIQBCGPKJOFCZ-HNNXBMFYSA-N 341.371 1.034 0 40 EDAB C=Cn1nnc(NC(=O)c2ccccc2I)n1 10119538 HEQSZVZIAGCTHO-UHFFFAOYSA-N 341.112 1.631 0 40 EDAB C[C@]1(NC(=O)Cc2ccc(Br)cc2)CCS(=O)(=O)C1 22549142 JIDIRLHIJFJZBN-ZDUSSCGKSA-N 346.246 1.685 0 40 EDAB COc1cccc(CNC(=O)NC2CCN(c3ncccn3)CC2)c1 47684484 XGYGKKWVIJKXLK-UHFFFAOYSA-N 341.415 1.953 0 40 EDAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccco1 47648182 YHSNJGPLHWCLSF-OAHLLOKOSA-N 333.432 1.647 0 40 EDAB C[C@H]1CCc2c(sc3nnn(CC(=O)N4CCCCC4)c(=O)c23)C1 958805 HKKBFJGBRTWOPG-NSHDSACASA-N 346.456 1.990 0 40 EDAB CCNC(=O)CN(CC)C(=O)C[C@@H](NC(C)=O)c1cccs1 54678154 VMDCGDNNLUNEIU-GFCCVEGCSA-N 325.434 1.300 0 40 EDAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)c1 24094609 DUMUDXLQSNPUIM-AWEZNQCLSA-N 346.383 1.494 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2ccc(F)cc2)C1 42869629 YTCCEGFJAROYSH-KGLIPLIRSA-N 342.392 1.096 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12)c1ccno1 107204447 RKITWYUDCNIWEE-IIAWOOMASA-N 328.372 1.231 0 40 EDAB Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2cccn2C)cs1 106823438 GWNYVBMXIWEXNV-ZFWWWQNUSA-N 344.440 1.806 0 40 EDAB CC(C)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)N(C)C 25451370 HOXKBVGGQDJEQU-OAHLLOKOSA-N 330.432 1.558 0 40 EDAB CN1CCO[C@@H]2CN(CC(=O)N[C@H](c3ccccc3)C3CC3)C[C@H]21 107157798 MZMNDDDNZPSMNZ-ZHALLVOQSA-N 329.444 1.269 0 40 EDAB CN1CC[C@@H](CNC(=O)N2CCC(C(N)=O)CC2)c2ccccc21 56488559 WUUZNSFKJPMQCR-AWEZNQCLSA-N 330.432 1.517 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)NCc2sccc2C)CC1 25999270 PEMKYJLMHXDSKO-UHFFFAOYSA-N 330.475 1.734 0 40 EDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1c(F)cccc1F 57210395 FWGRUYGTLDINKX-INIZCTEOSA-N 342.411 1.903 0 40 EDAB COC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1ccccc1 57414218 JIYMDVVJJJXURC-OAHLLOKOSA-N 347.440 1.516 0 40 EDAB C[C@H](C(N)=O)N(C)C(=O)CCc1cc(F)ccc1Br 97107502 QLMALXWODLNFQQ-MRVPVSSYSA-N 331.185 1.853 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1ccc(S(C)(=O)=O)cc1 44335622 ASBWUNHLMHDPNL-YPMHNXCESA-N 338.429 1.136 0 40 EDAB CN(C)C(=O)CNc1cccc(S(=O)(=O)N2CCCCCC2)c1 58029487 XZXRYQMVXSMAHT-UHFFFAOYSA-N 339.461 1.751 0 40 EDAB C[C@]1(NC(=O)CN2CCC[C@@H]2c2ccccc2)CCS(=O)(=O)C1 10087292 PYQOZHHEGYSCFK-WBVHZDCISA-N 336.457 1.517 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)nc2)cc1 3330887 MTDJMTUPCCKAAY-UHFFFAOYSA-N 339.804 1.355 0 40 EDAB O=C(/C=C/c1ccc(F)cc1)NCCn1nc2ccccn2c1=O 58225909 XFAKVBQDOQMHDN-RMKNXTFCSA-N 326.331 1.465 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCCCCN3CCC(C)CC3)nc2n1 44952505 VCWNMDYCOQLWJS-UHFFFAOYSA-N 344.463 1.983 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCN2CCCC[C@H]12 44942031 ARXGJHOUZVTSEY-HUUCEWRRSA-N 336.457 1.837 0 40 EDAB C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(-n2cc(C(N)=O)nn2)cc1 44978032 SMFOHUPYWCSDHJ-SMDDNHRTSA-N 343.387 1.113 0 40 EDAB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2c1ccccc1 10385424 XMNYMJYYMYEEJS-OAHLLOKOSA-N 325.372 1.212 0 40 EDAB CN(Cc1ccc(F)c(F)c1)C(=O)c1csc(S(N)(=O)=O)c1 58325177 QAIXQMRPDXPNMX-UHFFFAOYSA-N 346.380 1.946 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 58344411 GGXRNAVSDJHUEO-BBRMVZONSA-N 336.457 1.860 0 40 EDAB O=C1CC2(CCN(C(=O)[C@@H]3CCOC3)CC2)CN1Cc1ccncc1 108531153 LEBIUVYQSDQMDM-MRXNPFEDSA-N 343.427 1.459 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)CN1CCN(C(=O)C2CC2)CC1 58393072 ADFDNIQSMQODLP-KRWDZBQOSA-N 332.444 1.597 0 40 EDAB CCCCc1nc(CN2CCC[C@H](NS(C)(=O)=O)C2)cs1 58440461 GWMUKRHSLAJQQP-LBPRGKRZSA-N 331.507 1.999 0 40 EDAB CCOc1cc(/C=C/C(=O)NCCCN2CCOCC2)ccc1OC 26962289 RKHFNNAQPUGZGT-SOFGYWHQSA-N 348.443 1.946 0 40 EDAB C[C@@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)NC1CCCC1 12765955 PKJRARXEVYGKFD-ABAIWWIYSA-N 346.383 1.767 0 40 EDAB CNC(=O)C1CCN(CN2C(=O)NC3(CCCCCC3)C2=O)CC1 28707778 WYUSFQZMVAJEHH-UHFFFAOYSA-N 336.436 1.047 0 40 EDAB O=C(NCc1ccc(N2CCCC2)nc1)N[C@H]1CCCCNC1=O 45667179 OTTCWLUBJSIUNG-AWEZNQCLSA-N 331.420 1.150 0 40 EDAB Cc1nnnn1-c1cccc(NCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 29686893 MOVXNFWGOFEJAO-STQMWFEESA-N 328.420 1.887 0 40 EDAB CC(C)[C@H](CNC(=O)NCc1cccnc1-n1cccn1)N(C)C 48497407 PXBQKMKWPDTRAS-HNNXBMFYSA-N 330.436 1.653 0 40 EDAB Cn1cc(CN2CCCN(C(=O)c3cccc4c3OCO4)CC2)cn1 69876957 GKZQZHVCUATIGS-UHFFFAOYSA-N 342.399 1.497 0 40 EDAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CC1 12923680 OBGKCHXQDJFAKZ-CYBMUJFWSA-N 335.429 1.563 0 40 EDAB CN1C[C@@H](C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CC1=O 69816513 UKWZGZRROROLQI-QMMMGPOBSA-N 349.284 1.778 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)Cc2cccc(Cl)c2)CC1 69878139 SECWQHCDYLABON-MRXNPFEDSA-N 340.851 1.424 0 40 EDAB Cc1cc(C)c(CNC(=O)CCNC(=O)NC2CCCCC2)c(=O)[nH]1 13010994 OHKMGUJRDXLVHJ-UHFFFAOYSA-N 348.447 1.630 0 40 EDAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@H](Cn2cncn2)C1 69843137 CLPQJBBEIUXCDR-KGLIPLIRSA-N 338.415 1.988 0 40 EDAB Cc1cccc(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 18181530 DITXUJFCCUKJNB-UHFFFAOYSA-N 330.432 1.767 0 40 EDAB CC(C)OCCOC[C@@H](O)CN(C)CCC(=O)Nc1ccccc1 69947849 GOGPGRGXGUIYJF-KRWDZBQOSA-N 338.448 1.750 0 40 EDAB CCN1CCC[C@H](CNC(=O)CCn2c(=O)oc3ccccc32)C1 63852439 NRJDXCCKXIPBHN-CQSZACIVSA-N 331.416 1.833 0 40 EDAB CCCCC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13692904 UOMLCRLJDLSUOF-UHFFFAOYSA-N 325.372 1.915 0 40 EDAB CC(=O)Nc1ccc2c(COC(=O)[C@H]3CCCO3)cc(=O)oc2c1 49824332 XXWVSFAKGWSDBW-CQSZACIVSA-N 331.324 1.974 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 22516291 QXMBGTGSCTYNCI-ZBFHGGJFSA-N 334.391 1.973 0 40 EDAB O=C(Nc1ccccc1C(=O)NC1CC1)C(=O)NC1CCCCC1 408709698 WACQMCQVPZXURA-UHFFFAOYSA-N 329.400 1.966 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)NCCN2CCCCCC2)CC1 65411516 RAVSDOSZXKBWRI-UHFFFAOYSA-N 345.509 1.040 0 40 EDAB CCCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)no1 65434652 OJVMBDQUHKVULA-LBPRGKRZSA-N 334.420 1.632 0 40 EDAB NC(=O)[C@H]1CCCN1CC(=O)Nc1ccc(OC(F)(F)F)cc1 65522439 QBPOTPDTXYVDFR-LLVKDONJSA-N 331.294 1.473 0 40 EDAB CCOc1ncccc1NC(=O)c1cn(CC(OCC)OCC)nn1 65591176 XYISBOKBIRNISN-UHFFFAOYSA-N 349.391 1.723 0 40 EDAB O=C1COc2cc(NC(=O)N[C@@H]3CCCNC3=O)c(Cl)cc2N1 65589602 ILMPIKSLNGJQRR-MRVPVSSYSA-N 338.751 1.071 0 40 EDAB CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)NCC(=O)O 8995795 XVRLVLIKXGKCRC-AWEZNQCLSA-N 348.359 1.030 0 40 EDAB biogenic Cc1cc(NC(=O)CCN2CCN(Cc3c(C)noc3C)CC2)no1 65681335 POLCHKWTYRRFAI-UHFFFAOYSA-N 347.419 1.734 0 40 EDAB O=C(Nc1nccs1)C1CCN(c2ncnc3[nH]cnc23)CC1 9059870 KGVBTJXJWICJIB-UHFFFAOYSA-N 329.389 1.665 0 40 EDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(O)c(OC)c1 4784572 RSPZVZPRLPBMJT-ZDUSSCGKSA-N 331.332 1.239 0 40 EDAB CN(C)CC(=O)Nc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C 71285009 LCBDVPLJGBTLSE-KBPBESRZSA-N 333.388 1.482 0 40 EDAB CCNC(=O)[C@@H]1CCCN(c2ccc(-n3nc(C)cc3C)nn2)C1 96413689 FQKRUOIVTKBLQH-CQSZACIVSA-N 328.420 1.632 0 40 EDAB COC(=O)c1cc(NC(=O)CSc2ncn[nH]2)ccc1Cl 5910201 KVQDTWCBBKNUMA-UHFFFAOYSA-N 326.765 1.976 0 40 EDAB C[C@H]1CN(Cc2nnc3n(C)c(=O)c4ccccc4n23)C[C@@H](C)O1 15375716 ADTOYZKREBZWKS-TXEJJXNPSA-N 327.388 1.190 0 40 EDAB CCNC(=O)NC[C@H]1CC[C@]2(COCCN(C3CCCC3)C2)O1 306140609 UYUFYXLZEQVKLE-WBVHZDCISA-N 325.453 1.498 0 40 EDAB O=C1c2ccccc2C(=O)N1CCn1cnc2sccc2c1=O 7495003 ABSMYQWRZAATJX-UHFFFAOYSA-N 325.349 1.754 0 40 EDAB O=C(O)C[C@H](C(=O)NCCc1ccc2c(c1)OCO2)[C@@H]1CCCO1 71405965 RLJMMGOQDGIZRC-STQMWFEESA-N 335.356 1.344 0 40 EDAB O=C(NCCn1cccc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 81785500 JYTPPRDJNVOLNH-MRXNPFEDSA-N 347.440 1.458 0 40 EDAB Cc1ccc(-c2nnc(CN3CCO[C@H](Cn4cncn4)C3)o2)cc1 70011396 RGRYNGTXIXRDPZ-HNNXBMFYSA-N 340.387 1.538 0 40 EDAB O=C(C[C@H]1CCCO1)Nc1ccccc1S(=O)(=O)N1CCCC1 70039545 WGJWBZJPQZTDDI-CYBMUJFWSA-N 338.429 1.979 0 40 EDAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(Cc2nc(C)no2)CC1 69380815 PFGDPHNEADPBHC-MRXNPFEDSA-N 348.378 1.549 0 40 EDAB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)N1CCc2c(ncn2C)C1 69486467 FQCCTUVACPMICX-OLZOCXBDSA-N 330.436 1.973 0 40 EDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@H](n2cccn2)C1 69432865 FGHKDUNYUPGKSP-CVEARBPZSA-N 340.431 1.753 0 40 EDAB COCCCN(C(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 69417100 AQRCRILUPYEYIE-OAHLLOKOSA-N 343.420 1.420 0 40 EDAB CCO[C@@H](C)C(=O)NC1CCN(C(=O)Cc2cccc(OC)c2)CC1 69438687 LWIVVOJIZILWDK-AWEZNQCLSA-N 348.443 1.770 0 40 EDAB COc1ccc(CNC(=O)N2CCNC(=O)[C@H]2C(C)C)cc1OC 69516864 IUJQJDHJPVJHAD-OAHLLOKOSA-N 335.404 1.370 0 40 EDAB O=C(c1nccn2ccnc12)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91763185 GUKPDQZEPUFWBX-FZMZJTMJSA-N 344.321 1.956 0 40 EDAB O=S(=O)(C[C@@H]1CCCCO1)NCCN1CCc2ccccc2C1 69620353 UZJVBKMFWOYWNE-KRWDZBQOSA-N 338.473 1.533 0 40 EDAB Cn1ccc2c(C(=O)NCC3CCN(S(C)(=O)=O)CC3)cccc21 69620035 SKTBOCFVMIJTNT-UHFFFAOYSA-N 349.456 1.580 0 40 EDAB Cc1cnc(C(=O)OCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cn1 8540060 XUUZTAZVUFFJHI-UHFFFAOYSA-N 342.355 1.389 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2CC(=O)Nc2c(C)nn(C)c2C)n1 71876064 GZHJQYUPFRPNEV-MRXNPFEDSA-N 344.463 1.953 0 40 EDAB COC(=O)N1CCCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CC1 71882449 AETAENDGZQRENH-MRXNPFEDSA-N 333.432 1.460 0 40 EDAB O=C(Cn1ccc(-c2ccccc2)n1)N1CCN(C(=O)C2CC2)CC1 71896891 VJRMIXBWLLKJJF-UHFFFAOYSA-N 338.411 1.631 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3ccc([S@](C)=O)cc3)CCO2)n1 83829994 QPVCSWHETIKNFD-RKNYENMMSA-N 348.428 1.318 0 40 EDAB COCCN(CC(=O)Nc1cc(C)nn1C)C(=O)OC(C)(C)C 71907503 BFKDOEATNIGKSD-UHFFFAOYSA-N 326.397 1.551 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)[C@H](C)Oc2cccnc2)cc1F 71910364 PLBXPFDXJGIDDP-ZDUSSCGKSA-N 345.374 1.843 0 40 EDAB NC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3O)cn2)C1 72011689 AUFPKLQKTVSILY-GFCCVEGCSA-N 340.383 1.741 0 40 EDAB COCc1ccc(CNC(=O)C(=O)Nc2c(C)nn(C)c2OC)cc1 84013626 SBSZEUOFPHRTFJ-UHFFFAOYSA-N 346.387 1.138 0 40 EDAB CCNC(=O)C1CN(C(=O)C[C@](O)(c2ccccc2)C(F)(F)F)C1 97046608 XAFZGNZIUDBHQE-HNNXBMFYSA-N 344.333 1.421 0 40 EDAB COCC(=O)N1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 97032607 XJOBRLAIANYSRM-UHFFFAOYSA-N 332.322 1.718 0 40 EDAB CCOC(=O)[C@H](NC(=O)COC)c1c(C)nn(-c2ccccc2)c1C 72252875 LPYLMMMEXMXVTD-QGZVFWFLSA-N 345.399 1.856 0 40 EDAB NC(=O)c1ccc(OCC(=O)N2CCC[C@H](n3ccnc3)C2)cc1 72254961 BWMYDOAQOININP-AWEZNQCLSA-N 328.372 1.225 0 40 EDAB CN1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)Cc2ccccc21 95351053 HMQZKQRALUBFKJ-SJORKVTESA-N 344.459 1.511 0 40 EDAB CC1CCC(O)(CN2CCC(NC(=O)C3CCOCC3)CC2)CC1 95401521 UFOSKSXZHYMTMN-UHFFFAOYSA-N 338.492 1.935 0 40 EDAB O=S(=O)(CCN1CCCC[C@@H]1Cn1ccnn1)c1ccccc1 95459733 ATULDTUCLTYVKX-OAHLLOKOSA-N 334.445 1.607 0 40 EDAB C[C@@H](c1ccccc1)[C@H](CO)NS(=O)(=O)N1CCCCCC1 95433104 IMHYHHLFQBTPHY-HOCLYGCPSA-N 326.462 1.861 0 40 EDAB CCn1c(=O)cc(Cl)n(CC(=O)N[C@@H]2CCCC[C@@H]2C)c1=O 95464692 HPPCPGOWSKNWHT-WDEREUQCSA-N 327.812 1.378 0 40 EDAB CC1CCN(C[C@H](O)CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 95985017 IBKYVEJZYBSDGS-PMPSAXMXSA-N 332.510 1.025 0 40 EDAB O=C(NCc1cc[nH]n1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 75126347 JVSGCQURXSVYNB-CYBMUJFWSA-N 342.355 1.059 0 40 EDAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)C2CCC2)n(C)c1 89969029 YXHXDYSMDQTNEV-LBPRGKRZSA-N 341.477 1.974 0 40 EDAB CCCC[C@@H](CC)CNC(=O)C(=O)NCCCN1CCOCC1 408707000 HLIRPOSKNZMDDT-OAHLLOKOSA-N 327.469 1.158 0 40 EDAB COCc1ccccc1S(=O)(=O)N1CCC[C@@H](CC(=O)O)C1 548566854 RBRVXOGGUFPPIT-LBPRGKRZSA-N 327.402 1.708 0 40 EDAB O=C(CN1CCN(C(=S)NC2CCCCC2)CC1)[C@H]1CCCN1 35191205 KTVGXOQCLJSFEW-OAHLLOKOSA-N 338.521 1.132 0 40 EDAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)cc1Cl 30333037 LJFWLIJTRMISTK-LLVKDONJSA-N 332.809 1.377 0 40 EDAB C[C@H](C(=O)NCCN(C)C)n1nc(-c2ccc(F)cc2)ccc1=O 38670937 KJPDXTMNOWCXSL-GFCCVEGCSA-N 332.379 1.288 0 40 EDAB CCCC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1 306132599 LNJYAEMHEDRVIB-HNNXBMFYSA-N 331.416 1.619 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@@]2(N)CO)cc1 218570724 HJGLTZLPAOUQSF-IKGGRYGDSA-N 335.400 1.764 0 40 EDAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCOC 217467249 NBCFVTRWROBNSL-NSHDSACASA-N 344.433 1.910 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 39535088 REDLKZPAUARSBI-GOSISDBHSA-N 339.351 1.438 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCC(Oc2nncs2)CC1 675008148 DWIRRWNVYSLJGG-UHFFFAOYSA-N 343.405 1.909 0 40 EDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 218109200 YFJSAXROTFWLGP-KZNAEPCWSA-N 346.452 1.600 0 40 EDAB COc1ccc(CNc2nc3c(C)nn(C)c3c(=O)n2C)cc1OC 32651514 MYAYNTNSOVQBBK-UHFFFAOYSA-N 343.387 1.605 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cccc(-n2cncn2)c1 79361601 RJGIGIUUTOKVAC-OAHLLOKOSA-N 349.398 1.456 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](C)Oc2cnc3ccccc3c2)CC1 187886704 KCDYRORJCGJEBP-CYBMUJFWSA-N 327.384 1.693 0 40 EDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(C)cc1 71980133 CGHCZDQTTLCHHE-HNNXBMFYSA-N 332.400 1.733 0 40 EDAB Oc1ncnc2c1CCN(c1ncnc3c1cnn3-c1ccccc1)C2 567021368 SGVKTZVJRWIHAK-UHFFFAOYSA-N 345.366 1.874 0 40 EDAB CCCNc1ccc(S(=O)(=O)NCCCOCC)cc1C(=O)O 217640025 BUPZTRADNURFFK-UHFFFAOYSA-N 344.433 1.912 0 40 EDAB CC[C@](CNC(=O)[C@@H]1CCCS1(=O)=O)(C(=O)O)c1ccccc1 565225694 SATFCDSPDKTKLF-XJKSGUPXSA-N 339.413 1.112 0 40 EDAB O=C1CC[C@H](C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)N1 84369658 QCQDIENTCVNLFN-HUUCEWRRSA-N 328.368 1.620 0 40 EDAB O=C(c1cccnc1)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 85436089 NUWREMUYKQBCHE-MRXNPFEDSA-N 328.416 1.976 0 40 EDAB biogenic,in-vitro O=C([C@H]1C[C@H](F)CN1)N1CCC(c2cc(C3CCNCC3)[nH]n2)CC1 573800700 GLZZGQVBRLNEPJ-WMLDXEAASA-N 349.454 1.283 0 40 EDAB CC(C)CSC[C@@H]1O[C@@H](n2cnc3c(N)nccc32)[C@@H](O)[C@H]1O 40632162 XDBKDRRIZBSEDB-GZCFXPHUSA-N 338.433 1.022 0 40 EDAB in-vitro CNc1nc(NC[C@@H]2CCCS2(=O)=O)ncc1Br 133379067 KZHFZDMSVZUBMQ-ZETCQYMHSA-N 335.227 1.270 0 40 EDAB NC(=O)c1ccnc(NCC2(CN3CCOCC3)CCCCC2)c1 81033677 KCKIOKGMDKNREZ-UHFFFAOYSA-N 332.448 1.875 0 40 EDAB COc1ccc([C@@H](CN[C@@H]2CCS(=O)(=O)C2)N2CCCC2)cc1 40177477 XOGBJUAIHYRMBL-NVXWUHKLSA-N 338.473 1.609 0 40 EDAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN(C)C)ccc21 225484472 SVWXQANYXHOJAS-UHFFFAOYSA-N 339.461 1.216 0 40 EDAB COc1ccc(C(=O)NCc2nc(-c3ccc[nH]c3=O)no2)cc1F 225804673 NFYOILQWWJQIIE-UHFFFAOYSA-N 344.302 1.503 0 40 EDAB CO[C@]1(C)CCCN(C(=O)Nc2cnc(N3CCNCC3)nc2)CC1 333321165 MYVFPXHPJVIBJX-QGZVFWFLSA-N 348.451 1.309 0 40 EDAB CCc1cc(N2CCC(NC(=O)[C@@H]3CCCCN3CC)CC2)ncn1 96450151 PBENLAHBMBDRDM-KRWDZBQOSA-N 345.491 1.998 0 40 EDAB C[C@@H](NC(=O)NC[C@@H](O)c1cnn(C)c1)c1csc(C2CC2)n1 96440212 AYAHFFDQGQBHLD-NOZJJQNGSA-N 335.433 1.848 0 40 EDAB CCOC[C@@H]1c2c(cnn2C)CCN1S(=O)(=O)c1ccccc1 96068182 YFEYFVGHZDSYPT-OAHLLOKOSA-N 335.429 1.745 0 40 EDAB O=C(c1ccoc1)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 96159151 JAESFMXPSLUUPV-UHFFFAOYSA-N 342.355 1.108 0 40 EDAB Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCCCCC1 95473803 QEIPNXAVELHSMS-UHFFFAOYSA-N 335.448 1.299 0 40 EDAB Cc1ccc(CC(=O)N2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)cc1 96160235 HRCOIRBEOGWCBG-AZUAARDMSA-N 346.471 1.876 0 40 EDAB Cn1c(O)nc2ccc(C(=O)N(CCC(=O)O)C[C@H]3CCCO3)cc21 582218233 PJCWOQNPJXXNLI-GFCCVEGCSA-N 347.371 1.375 0 40 EDAB CN(Cc1ccco1)Cc1cnc2n1CCN(c1ncccn1)CC2 96197091 BDPDDUMGDZVOHR-UHFFFAOYSA-N 338.415 1.961 0 40 EDAB O=C1C[C@H](c2cccnc2)C2(CCN(C(=O)c3ccncc3)CC2)N1 96061467 OVRHWBPTKODANU-MRXNPFEDSA-N 336.395 1.755 0 40 EDAB COc1cc(N2CC[C@H]3OCC[C@@]3(COc3ccccn3)C2)ncn1 96218536 USHQHEKRPRUAIV-KDOFPFPSSA-N 342.399 1.945 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1cccc(-c2nnc(C)o2)c1 96444614 VKTVGQYBQXSCIE-CQSZACIVSA-N 330.388 1.936 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)Cc2ccc(OC)cc2)Cc2ccnn21 247927523 DYJCGBVXDKILAN-HNNXBMFYSA-N 342.399 1.154 0 40 EDAB Cc1cccc(N2CCC[C@@H](N(C)S(=O)(=O)N3CCCC3)C2)n1 257258364 KTOIGQICAKYPIB-OAHLLOKOSA-N 338.477 1.631 0 40 EDAB CC(=O)N1CCC(Cc2cnc(CN3CCCN(C)CC3)cn2)CC1 257246935 IWQJBYZGSGGZOQ-UHFFFAOYSA-N 345.491 1.415 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3cc(C)ncn3)C2)cc1 257291175 QFZBVUDLNYVJPM-IBGZPJMESA-N 340.427 1.807 0 40 EDAB CN(C[C@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1ccon1 257207480 BHYIALPVOKTXDN-MRXNPFEDSA-N 334.351 1.312 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 257235030 GWCWXXLVGULYNF-LBPRGKRZSA-N 340.431 1.825 0 40 EDAB COc1ccc2c(c1)c(=O)ncn2CC(=O)c1cccnc1OC 252498440 RCEXWOAMJPHYHU-UHFFFAOYSA-N 325.324 1.692 0 40 EDAB Cc1ccc(C2=NO[C@H](CNC(=O)NCCn3ccnc3)C2)cc1C 252494201 NOFYHYXVMVLDEL-INIZCTEOSA-N 341.415 1.992 0 40 EDAB COc1cc(C(=O)N2CC[C@@H](n3cc(C(=O)O)nn3)C2)ccc1C 585088476 IKTSVQJTOOQOFV-GFCCVEGCSA-N 330.344 1.381 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)C2CCCC2)CCN1CCc1ccccc1 257224727 FDBJZPYRRKYHDK-SFHVURJKSA-N 343.471 1.678 0 40 EDAB Cc1cc(C(=O)NCCN2CCC3(C2)OCCO3)c2c(C)noc2n1 585130789 CBHJSNCYKTYHNX-UHFFFAOYSA-N 346.387 1.018 0 40 EDAB COCc1c(C(=O)N2CCO[C@H](c3ccnc(C)n3)C2)noc1C 257266688 MEBJWLJFPLUHRS-AWEZNQCLSA-N 332.360 1.442 0 40 EDAB O=C(c1ccc2[nH]cnc2c1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257267401 MHDNVDBCCJQLLN-IAGOWNOFSA-N 341.342 1.966 0 40 EDAB CN(C(=O)Cc1ccccc1F)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257292870 QNGRFIZOANKFPA-JFIYKMOQSA-N 336.407 1.051 0 40 EDAB COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)Nc2ccc(C)cc2)c1 390833240 FAFDHIQATULYIF-UHFFFAOYSA-N 345.311 1.490 0 40 EDAB COc1ccccc1S(=O)(=O)N1CC(S(=O)(=O)CC(C)C)C1 96122030 GUJQYSNJXDIKSQ-UHFFFAOYSA-N 347.458 1.139 0 40 EDAB COC(=O)c1ccccc1C(=O)N1CC(S(=O)(=O)CC(C)C)C1 96380102 DZLWWJGPEHODOC-UHFFFAOYSA-N 339.413 1.368 0 40 EDAB CO[C@@H]1CCOC2(C1)CN(S(=O)(=O)c1cc(C)cc(C)c1)C2 575406070 VCYLKBPKYCYKPP-CQSZACIVSA-N 325.430 1.872 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 575405650 TWOSGAJXVYCYGF-NWDGAFQWSA-N 338.404 1.723 0 40 EDAB CN(C(c1ccccc1)c1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O 575419527 CLSJWHUXBNNPBD-DLBZAZTESA-N 331.437 1.866 0 40 EDAB Cc1cccc(OC[C@@]2(O)CN(CC3(O)CCCC3)CC[C@@H]2O)c1 585283619 SOVNITMOKAGKSU-HKUYNNGSSA-N 335.444 1.477 0 40 EDAB CC[C@H](C)CN1C[C@@H]2[C@H](C1)C(=O)NC21CCN(c2ncccn2)CC1 585106070 IXPURHDGDRMORQ-HRCADAONSA-N 343.475 1.540 0 40 EDAB COc1ccccc1OCCN(C)CCCN1C(=O)NC(C)(C)C1=O 53712067 KSNWRZXXOGYALW-UHFFFAOYSA-N 349.431 1.726 0 40 EDAB COCCN1CCN(CCC(=O)NCc2ccccc2Cl)CC1 54429467 UCJJRQFBYNNWRQ-UHFFFAOYSA-N 339.867 1.610 0 40 EDAB CC[C@@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)C[C@@H](C)O1 78925442 XHINUBBTYIQSLL-UKRRQHHQSA-N 325.453 1.892 0 40 EDAB COc1ccc(Br)c(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CO)C2)c1 85468466 RTXLOMVHAQYKLY-VYUIOLGVSA-N 344.205 1.319 0 40 EDAB O=C(CCCc1ccccc1)N1CCC(CN2C(=O)CNC2=O)CC1 90608813 FIDNGORDZWPYNJ-UHFFFAOYSA-N 343.427 1.800 0 40 EDAB COc1ccc(CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 106905396 ZGARWGKOPOOKMF-DOTOQJQBSA-N 333.432 1.400 0 40 EDAB OC1(CN2CCC[C@@](O)(COc3ccc(F)cc3)C2)CCOCC1 1615142827 BJKOMOMIGVZRSA-SFHVURJKSA-N 339.407 1.573 0 40 EDAB Cc1nc(NC(=O)[C@@H](C)N[C@@H](C(N)=O)c2ccccc2)sc1C 1615588038 BKDBYELRQJOAIT-ZWNOBZJWSA-N 332.429 1.903 0 40 EDAB CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCNC[C@@H]2F)c1 1616037673 AVVFIZZGCLNRHA-STQMWFEESA-N 348.827 1.563 0 40 EDAB COc1nn2cc(Br)cnc2c1CN(C)CC[C@@H](C)O 1616037622 DFSOLVKZMSMJIM-SECBINFHSA-N 343.225 1.703 0 40 EDAB CO[C@H]1[C@H](CNC(=O)C2(c3cccc(F)c3)CC2)COC[C@H]1OC 1615130663 RWPCREWTYILIAO-WQVCFCJDSA-N 337.391 1.650 0 40 EDAB CCOc1ccc2c(=O)n3c(nc2c1)CCC(=O)N3CCCN(C)C 5466683 RMOXKDJXYIGRDW-UHFFFAOYSA-N 344.415 1.158 0 40 EDAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCc1ccc(F)cc1 15393199 SMSULGRXDGQTNZ-LBPRGKRZSA-N 341.346 1.885 0 40 EDAB O=C1CCC[C@@H]2[C@@H](CCN2CC(=O)N2CCCc3ccccc32)N1 19713225 IKRJYIGNBGDITB-NVXWUHKLSA-N 327.428 1.709 0 40 EDAB NC(=O)c1ccc(C2CCN(C(=O)C[C@H]3CCCCO3)CC2)nc1N 19765982 NOZOTHWPDJCSEC-CYBMUJFWSA-N 346.431 1.428 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2cc(N3CCCC3)ncn2)CC1 225537038 KPQVDDISLRAWDA-UHFFFAOYSA-N 347.419 1.428 0 40 EDAB CCCN(C(=O)/C=C/c1ccccc1Cl)[C@@H]1COC[C@@H](O)[C@H]1O 643585393 FWHXEKSBBUYLTI-GNTUDQNXSA-N 339.819 1.712 0 40 EDAB O=C(NCCOc1ccccc1)NCC1CCN([C@H]2CCOC2)CC1 575609117 YJNGBYCPRLFNAX-KRWDZBQOSA-N 347.459 1.866 0 40 EDAB Cc1nnc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)s1 1888853189 PPCHJNGZMHADDU-UHFFFAOYSA-N 331.449 1.563 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)C5CC=CC5)C[C@@H]4C3)ncnc21 1888866304 VWIHEXINHVHXTQ-KBPBESRZSA-N 338.415 1.224 0 40 EDAB Cc1cc(=O)c(C(=O)N(C)Cc2cnn(C)c2)nn1-c1ccccc1 24477026 IJOCRUJNHQMRIM-UHFFFAOYSA-N 337.383 1.547 0 40 EDAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccn(C)n2)CC1=O 24472768 XELNEFLPKHBTLT-LBPRGKRZSA-N 328.372 1.810 0 40 EDAB NC(=O)C1CCN(C(=O)Cc2csc(-c3ccccn3)n2)CC1 25706813 PYJSIDGSXWWSCI-UHFFFAOYSA-N 330.413 1.472 0 40 EDAB COc1ccc(CNC(=S)NCCN2CCOCC2)cc1OC 32639072 SZUQIGBJGUMUCT-UHFFFAOYSA-N 339.461 1.000 0 40 EDAB NC(=O)c1ccsc1NC(=O)CN1C(=O)c2ccccc2C1=O 2650931 KMNFKACGIFJTAN-UHFFFAOYSA-N 329.337 1.082 0 40 EDAB COc1cccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)c1 4941447 ZSFVUNPCJYCKBF-AWEZNQCLSA-N 334.372 1.436 0 40 EDAB Cc1cc(CN[C@H]2CCc3onc(CN4CCOCC4)c3C2)n(C)n1 2055732357 DADLOJGDWJLVDH-AWEZNQCLSA-N 345.447 1.196 0 40 EDAB O=C(C1CC1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745973 WNEQPNVOFXOMFV-UHFFFAOYSA-N 334.445 1.605 0 40 EDAB COc1ccccc1NC(=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966297 WSAPDWNSLGNGPO-UHFFFAOYSA-N 345.334 1.505 0 40 EDAB CN(C(=O)CN1c2cc(F)ccc2N(C)S1(=O)=O)c1ccccc1 575609356 UBCSZWREGLPWBW-UHFFFAOYSA-N 349.387 1.990 0 40 EDAB CCn1cnc2c(N3CCN(Cc4cc(C)on4)CC3)ncnc21 299556053 DFQBAKXAPCYVAU-UHFFFAOYSA-N 327.392 1.465 0 40 EDAB O=C(c1ccc(Br)o1)N1CCN(c2cnsn2)CC1 585148740 FLQIOFGGJUCCOH-UHFFFAOYSA-N 343.206 1.856 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)o1 50138684 YAIYHLBURKFTPM-CQSZACIVSA-N 349.431 1.929 0 40 EDAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 50599917 GWRIZLGMALAHPZ-UONOGXRCSA-N 349.383 1.583 0 40 EDAB O=C(CS(=O)(=O)C[C@@H]1CCCO1)N1CCC(c2ccccc2)=N1 40498846 WZPRALFESBRFDX-AWEZNQCLSA-N 336.413 1.217 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 40528800 OTACAQDCTIRNCU-GFCCVEGCSA-N 341.429 1.706 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2nnc(C)s2)c1 40526499 HMZSGSXMJVJPKD-LLVKDONJSA-N 338.389 1.719 0 40 EDAB C[C@@H](CNC(=O)C1=NN(C)C(=O)CC1)N1CCc2sccc2C1 40509583 RSHRISIRBBMSDK-NSHDSACASA-N 334.445 1.219 0 40 EDAB Cc1ccc(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cn1 40539883 YRJIVDOTAXGMTN-UHFFFAOYSA-N 345.424 1.642 0 40 EDAB COc1cccc([C@H]2CCCN2C(=O)CN2CCC(C(N)=O)CC2)c1 51185954 WNAPOXRCIIQZMX-QGZVFWFLSA-N 345.443 1.556 0 40 EDAB CCOC(=O)CCC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 32002367 JLVOOJYZCYWLLC-UHFFFAOYSA-N 348.808 1.993 0 40 EDAB CNC(=O)COc1cccc(NC(=O)NC[C@@H](C)Cn2cccn2)c1 52462252 LAFSCGAMNNMTNQ-CYBMUJFWSA-N 345.403 1.466 0 40 EDAB CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc2c(c1)OCCO2 11999607 SCBBMPGNQBMJLN-GFCCVEGCSA-N 328.434 1.466 0 40 EDAB COC(=O)C1CCN(C(=O)COc2cc(OC)ccc2C(C)=O)CC1 60502683 PJAJZYHLEDDUGL-UHFFFAOYSA-N 349.383 1.688 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN([C@H](C(N)=O)c3ccc(F)cc3)C2)no1 76047335 LBEYWJXVLWXYQN-HOCLYGCPSA-N 347.394 1.250 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1CCn2c(nnc2C2CC2)C1 78788106 TYPIXQIJTQVNNU-UHFFFAOYSA-N 331.445 1.691 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1F)S(=O)(=O)C[C@H]1CCCO1 32926090 JTYFPOURXGQGTB-WCQYABFASA-N 329.393 1.424 0 40 EDAB CN1CCN(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1 2774909 LLMPICBXOWRSQS-UHFFFAOYSA-N 331.342 1.058 0 40 EDAB CCCCn1nnnc1CN1C(=O)[C@H](C)N(c2ccccc2)C1=O 21932173 VUYQNDJPFBXANV-LBPRGKRZSA-N 328.376 1.831 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)NCC(C)C 6539192 TZOXFEJHZWOSBY-UHFFFAOYSA-N 331.372 1.810 0 40 EDAB COCCCN[C@H](CC(=O)Nc1cc(Cl)ccc1OC)C(=O)O 6579832 BJZHSGNOQDDUMB-GFCCVEGCSA-N 344.795 1.757 0 40 EDAB O=S1(=O)CC[C@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)C1 7308502 YANLQULRXGSUKT-ZDUSSCGKSA-N 329.443 1.031 0 40 EDAB CC(C)NC(=O)CNC(=O)c1nc(-c2cccc3[nH]ccc23)no1 12390414 GIKSDDXCTRUTQD-UHFFFAOYSA-N 327.344 1.472 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)/N=c2/sc3ccccc3n2C)C1=O 104992230 MPNSNDBHLUVFNF-UYTDBDHRSA-N 346.412 1.388 0 40 EDAB Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCCC2=O)CC1 42919712 LGLQOFCDVRYLOS-UHFFFAOYSA-N 343.427 1.338 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCCN(c3cccnn3)CC2)C1 105798775 HZFQPWQPFVNFHL-HZPDHXFCSA-N 331.464 1.493 0 40 EDAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 24598490 CRWPOBJDZINXBJ-AWEZNQCLSA-N 343.427 1.711 0 40 EDAB CCc1cnc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)s1 97115704 HGFOIABFDCYAPH-HNNXBMFYSA-N 345.468 1.855 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)on1 106153593 HINSIORYDONICN-RBSFLKMASA-N 336.436 1.495 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1cccc(Nc2ncccn2)c1 24861168 STNKQZLOGCVIQC-UHFFFAOYSA-N 335.371 1.688 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 25178009 QSBGCHQPLRJBOG-OAHLLOKOSA-N 346.408 1.848 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N3CCC[C@@H]3C3CCCC3)cnc21 56034468 ANNWQXFRPTTXDS-CQSZACIVSA-N 329.404 1.311 0 40 EDAB CCc1n[nH]c([C@@H]2CN([C@H](C)C(=O)Nc3nccs3)CCO2)n1 107503856 HTYIGXGPDHIBJN-ZJUUUORDSA-N 336.421 1.224 0 40 EDAB COc1cc([C@@H]2C3=C(COC3=O)Nc3cn(C)nc32)cc2c1OCO2 35326517 FBIHCHPYHZDDBF-CYBMUJFWSA-N 341.323 1.526 0 40 EDAB COc1ccc([C@@H]2[C@H]3[C@@H](NC(=O)N2C)N(C)C(=O)N[C@@H]3C)c(OC)c1 12653524 IVGBQRCBJJPBGS-UVCAVOOOSA-N 348.403 1.386 0 40 EDAB biogenic O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1cccnc1N1CCCC1 48171791 GORQSYAGWSVCCI-GFCCVEGCSA-N 338.433 1.238 0 40 EDAB CCCCc1nc(CN2C[C@@H](C(=O)NC)Oc3ccccc32)no1 48289468 IXEFQZROWBZGNY-AWEZNQCLSA-N 330.388 1.926 0 40 EDAB CN(C)[C@@H](CNCc1cnc(N2CCOCC2)nc1)c1cccs1 48275532 RZBOCODKAKRBPW-HNNXBMFYSA-N 347.488 1.767 0 40 EDAB COc1ccc([C@@H](CNC(=O)Cn2cccn2)N2CCOCC2)cc1 44896920 SHDWZUIIVIISSO-QGZVFWFLSA-N 344.415 1.081 0 40 EDAB COC(=O)c1nc(NC(=O)c2ccc(-c3nc(C)no3)cc2)n[nH]1 44910133 GPETUOZXSGSJSC-UHFFFAOYSA-N 328.288 1.202 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)CCc1nnc(-c2ccccc2)o1 44940464 XZNVAZQLCLATAK-AWEZNQCLSA-N 344.415 1.506 0 40 EDAB C[C@H](C(=O)NCCCNc1ccc(C(F)(F)F)cn1)n1cncn1 44942821 ISAUDLFCMDHHMN-SNVBAGLBSA-N 342.325 1.871 0 40 EDAB O=S1(=O)N=C(NCc2ccc(-n3cncn3)cc2)c2ccccc21 44972304 XKNAWYWQWLNVMH-UHFFFAOYSA-N 339.380 1.506 0 40 EDAB CN(CC(=O)OCc1ccccn1)S(=O)(=O)c1ccc(F)cc1 36147851 AHVPVECDPLIPCI-UHFFFAOYSA-N 338.360 1.585 0 40 EDAB CN1CCN(c2ncccc2CNC(=O)c2ccc(F)cc2)CC1 58314510 NTKFVJUCJWZQAG-UHFFFAOYSA-N 328.391 1.903 0 40 EDAB CCCS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccccc2F)C1 58377876 KHJYURZNLNYEHQ-NSHDSACASA-N 329.397 1.761 0 40 EDAB CSc1nc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c2ccccn12 58430207 VXLLGBYPGLGHFE-CHWSQXEVSA-N 346.456 1.649 0 40 EDAB Cc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 58457585 PBTXUYIKWNONHD-ZDUSSCGKSA-N 329.443 1.335 0 40 EDAB CC(=O)Nc1cccc(-n2nnnc2S[C@H]2CCCCNC2=O)c1 58667000 LCBNYBLSTIVRIJ-ZDUSSCGKSA-N 346.416 1.382 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CC(=O)Nc1cccc(F)c1 12784097 QEAPJUIKTZWKTO-SNVBAGLBSA-N 347.398 1.290 0 40 EDAB Cc1cc(N2CCN(C(=O)c3cnccn3)CC2)nc(C(C)C)n1 11077282 MMFWVDKNAWXRQS-UHFFFAOYSA-N 326.404 1.661 0 40 EDAB CC(C)N1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1 45429497 SIAZITBXJOVTBX-UHFFFAOYSA-N 336.461 1.365 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cc2cc(OC)cc(OC)c2[nH]1 48314925 DSXVMOUVGCBEER-AWEZNQCLSA-N 345.399 1.926 0 40 EDAB Cc1nnc2ccc(NC[C@H](CN(C)C)[C@H](O)c3ccccc3)nn12 48345554 KZPJZUIIZDRRLZ-CRAIPNDOSA-N 340.431 1.756 0 40 EDAB Cc1ccc(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 12821581 QHYDSYMYHISNRS-UHFFFAOYSA-N 346.452 1.934 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3594704 HBHAGKNBMBWSAF-ORAYPTAESA-N 341.411 1.781 0 40 EDAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cnc(C)cn2)cc1 3525531 JYJSMEMKPTYTER-UHFFFAOYSA-N 328.328 1.539 0 40 EDAB COc1ccc(NC(=O)CN(C)CC(=O)NCc2cccs2)cc1 12911513 RNOLUSNKSNGMNH-UHFFFAOYSA-N 347.440 1.943 0 40 EDAB NS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCC2)c1 13075260 BVBMGZCIFRDAFA-UHFFFAOYSA-N 347.234 1.769 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](c2ccccc2)C1 69621370 LILSQMVATMOMRT-VNQPRFMTSA-N 336.457 1.168 0 40 EDAB CCc1cccc2c1N(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2 69631715 NEVSAVLHLMVRRB-OAHLLOKOSA-N 336.457 1.305 0 40 EDAB CCC(=O)Nc1ccc(NC(=O)NCCS(=O)(=O)CC)cc1C 69649210 LIKQZRBRTNPHBZ-UHFFFAOYSA-N 341.433 1.900 0 40 EDAB CCN1C[C@H](C(=O)NCCNc2ncccc2C(F)(F)F)CC1=O 63769077 XNXQPPCRGRAWPL-SNVBAGLBSA-N 344.337 1.497 0 40 EDAB CN(C)[C@H](CNC(=O)C1(S(C)(=O)=O)CCCC1)c1ccco1 69704243 IJYNSLICDZHYAK-GFCCVEGCSA-N 328.434 1.356 0 40 EDAB O=C(Cc1cn2ccccc2n1)N1CCC(Nc2cccnn2)CC1 69818411 IAOOFGQCJPORBP-UHFFFAOYSA-N 336.399 1.770 0 40 EDAB C[C@H](CNC(=O)CCCOc1ccccc1F)N1CCN(C)CC1 69878997 ZOLDQJREXMIRNJ-OAHLLOKOSA-N 337.439 1.737 0 40 EDAB O=C(COC(=O)c1ccc(F)cc1)NC[C@@H]1COc2ccccc2O1 5216387 LKRPYGSGDNSLTE-CQSZACIVSA-N 345.326 1.939 0 40 EDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 65479511 KBWRGTSTBGCUFJ-DOTOQJQBSA-N 345.443 1.045 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC(C)C)C1=O 4477174 KQSPAARTVBQSGG-QGZVFWFLSA-N 346.387 1.078 0 40 EDAB Cc1noc(C)c1CC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 14371888 OFGLNUHICSFDHY-UHFFFAOYSA-N 332.385 1.791 0 40 EDAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 5792282 ABGRAMCSICVVGD-MRXNPFEDSA-N 333.294 1.943 0 40 EDAB Cc1cnccc1CCNC(=O)N1CCC(CC(=O)N(C)C)CC1 96004652 GWOMIRWOSZVZOI-UHFFFAOYSA-N 332.448 1.832 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 6928267 BNVZLGICBZZLCC-FZMZJTMJSA-N 342.848 1.829 0 40 EDAB CC[C@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1cccc(OC)c1 71405380 POQNWWRYPLHMQK-JTQLQIEISA-N 336.373 1.389 0 40 EDAB Cc1ccccc1OCCC(=O)N1CCC2(CC1)C(=O)NCCN2C 67785911 PQGSCPNDAJLJQS-UHFFFAOYSA-N 345.443 1.187 0 40 EDAB Cc1cc(C)n2nc(C(=O)N(C[C@H]3CCC(=O)N3)C(C)C)cc2n1 67834067 UMBCWCJTINWWRM-CYBMUJFWSA-N 329.404 1.475 0 40 EDAB Cc1cnc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)cn1 7536687 BPDJYWQCNAOVMI-UHFFFAOYSA-N 343.339 1.742 0 40 EDAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nnc(NC2CC2)s1 7853968 YDDUKBBLLAQCFV-SSDOTTSWSA-N 329.451 1.827 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1cccnc1N(C)C 81541598 QZPAHUKEGUPMTF-UHFFFAOYSA-N 343.431 1.767 0 40 EDAB CCN(CC)S(=O)(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 69418342 AGSKYQSEAOSWOG-GFCCVEGCSA-N 335.470 1.562 0 40 EDAB Cc1cc(NC(=O)CCN2CCN(C(=O)N3CCCCC3)CC2)no1 71794086 OOPHFSCTUSRCLW-UHFFFAOYSA-N 349.435 1.535 0 40 EDAB CCN(Cc1cc(=O)n(C)c(=O)n1C)[C@H](C)c1cccc(OC)c1 71850126 RAIAATLBRJKVGV-CYBMUJFWSA-N 331.416 1.676 0 40 EDAB O=C(CN1CCC[C@H](N2CCNC2=O)C1)c1c[nH]c2ccccc12 71800051 MTUBDRQSQWYKSN-ZDUSSCGKSA-N 326.400 1.840 0 40 EDAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H]1Cn1cccn1 71866442 IBOATHZTHUBEKW-JKSUJKDBSA-N 340.431 1.581 0 40 EDAB COc1ccccc1CN(Cc1cc(=O)n(C)c(=O)n1C)C1CC1 71811022 RQKOXRZYNLOCMV-UHFFFAOYSA-N 329.400 1.257 0 40 EDAB CNC(=O)c1ccc(CNC[C@@H]2CCO[C@H]2c2cnn(C)c2)cc1 83882299 AELDUHZWMMKEBR-DOTOQJQBSA-N 328.416 1.647 0 40 EDAB COC(=O)c1sc2nc(C)nc(NC[C@@H]3COCCO3)c2c1C 95356851 ZQXNFUJJJOYBSH-SNVBAGLBSA-N 337.401 1.922 0 40 EDAB C[C@@H](CNC(=O)N1CCN([C@H](C)C(F)(F)F)CC1)Cn1cccn1 84638364 XVWXMSFMTDVTJF-QWHCGFSZSA-N 347.385 1.797 0 40 EDAB CN1C(=O)CN(NC(=O)CCc2ccc(OC(F)(F)F)cc2)C1=O 95456615 XYULPELTAMBALD-UHFFFAOYSA-N 345.277 1.443 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCC[C@H](CC(N)=O)C1 95405952 XKFFVGPFVJMMRJ-BXUZGUMPSA-N 335.452 1.265 0 40 EDAB COc1cc(F)c(S(=O)(=O)NC[C@H]2CCO[C@H](C)C2)cc1OC 95457561 LQBSDXHNJSBPMN-MNOVXSKESA-N 347.408 1.936 0 40 EDAB CN(CCc1cnn(C)c1)C(=O)CN1C[C@H](c2ccccc2)CC1=O 95509308 LGWOGUROXVNZQA-QGZVFWFLSA-N 340.427 1.437 0 40 EDAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCCc1ccnn1C 95941162 JKUUMIHGUHPIGS-UHFFFAOYSA-N 341.415 1.985 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)c(=O)[nH]1 75120353 GSHLFGQHTWPBAO-UHFFFAOYSA-N 329.400 1.554 0 40 EDAB Cc1ccccc1Cc1noc(CN2C(=O)N[C@@]3(CCOC3)C2=O)n1 89690430 YQXRTBFMPDQHJO-QGZVFWFLSA-N 342.355 1.180 0 40 EDAB O=C(NCc1ccc(Cn2cncn2)cc1)N1CCOC[C@H]1C1CC1 89888747 JMVHDUPDXVDVSH-KRWDZBQOSA-N 341.415 1.647 0 40 EDAB O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCOC[C@H]1C1CC1 89976558 RJRMSKAVXMKZFE-ZDUSSCGKSA-N 331.397 1.463 0 40 EDAB CCc1nc([C@H]2CCCN2CC(=O)NCc2c(C)noc2C)no1 75606989 RQEIAOYDUDJOHH-CYBMUJFWSA-N 333.392 1.690 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)C)cc1 32929486 MXMYQCNJLAFJLX-OAHLLOKOSA-N 342.461 1.867 0 40 EDAB CCO[C@@H](C(=O)N1C[C@]23CCCC[C@]2(C1)CS(=O)(=O)C3)C(C)C 1551659763 WJDZPZAACONGEN-PVAVHDDUSA-N 343.489 1.865 0 40 EDAB O=C([C@H]1CCc2cncn2C1)N1CCC(c2nncn2C2CC2)CC1 516672537 WVNIVOLPYCMTKS-AWEZNQCLSA-N 340.431 1.778 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)CCn2cnnn2)c(OC)c1 524733776 OETLNWIHPHNBCU-AWEZNQCLSA-N 331.376 1.444 0 40 EDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1OC 32639781 WQAWPBYMELLSRF-CMPLNLGQSA-N 326.443 1.790 0 40 EDAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1NCCc2[nH]cnc21 72410435 RXCJPTJVFRVBMA-QGZVFWFLSA-N 339.399 1.040 0 40 EDAB COc1ccc(C(=O)CSc2nnc3cc(C)nc(N)n23)cc1 35315131 UHFIMFINBDKIRP-UHFFFAOYSA-N 329.385 1.999 0 40 EDAB CCCn1nc(C)cc1CN(C)C(=O)c1cc2c(=O)[nH]c(C)cn2n1 669560552 GCDZHEORTFSYIG-UHFFFAOYSA-N 342.403 1.518 0 40 EDAB CCN1CCN(CCC(=O)N[C@@H](CC(=O)OC)c2ccccc2)CC1 79335578 DNXXEHXQZPLHIQ-KRWDZBQOSA-N 347.459 1.435 0 40 EDAB Cc1cc(C)nc(SCC(=O)NCCS(=O)(=O)C(C)(C)C)n1 79052029 HYGXRSMAKMDEEI-UHFFFAOYSA-N 345.490 1.515 0 40 EDAB Cc1cc(C)c2[nH]cc(C(=O)O)c(=NC[C@@H]3CN(C)CCN3C)c2c1 566857712 HDPVAEGMBFACRH-CQSZACIVSA-N 342.443 1.629 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@H](O)c1cccc2ccccc12 70635973 CXKCMBOTHCOKNL-HNNXBMFYSA-N 326.352 1.138 0 40 EDAB O=C(O)[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(CF)CCC2)C1=O 570213042 ULBKLGKYPBLXJH-KBPBESRZSA-N 348.374 1.669 0 40 EDAB CCSc1nnc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)s1 225631441 PBRWTBFTFGJNAE-OSMVPFSASA-N 327.387 1.243 0 40 EDAB CC[C@@H]1CN(CCCN2CCN(C(C)C)CC2)C[C@@]2(CCOC2)O1 225724237 TXSXLCFRNMHYCZ-RTBURBONSA-N 339.524 1.672 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)COCc2ccccc2)C1 225387477 WHKRTXCFNOMZLD-OAHLLOKOSA-N 343.383 1.682 0 40 EDAB CO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H](N)C(C)C)CC2)cs1 195543853 KITKCNOODGEJHP-JSGCOSHPSA-N 340.493 1.478 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(C)(C)C 95409340 HSDBIMGLIZKUGH-CYBMUJFWSA-N 346.880 1.963 0 40 EDAB COCCN1CC[C@@H](NC(=O)NCC2(c3cccc(F)c3)CC2)C1 96417813 KPJZHOGQDMIEHE-MRXNPFEDSA-N 335.423 1.877 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2C[C@@H](C(=O)NCC3CC3)O[C@H]2C1 97953601 JPWXXJLNMFIPIV-XIRDDKMYSA-N 333.432 1.797 0 40 EDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H]1CCCN(C2CCCCC2)C1 97104494 SMFJKQXSXJHYNR-LZWOXQAQSA-N 330.494 1.880 0 40 EDAB Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)ccc1F 578652815 FSXHXMJRBXMALU-XJKSGUPXSA-N 344.390 1.817 0 40 EDAB O=C(Cc1cccs1)N1CCn2c(Cn3cccn3)cnc2C1 96201112 LAPCGIIOKOBDFH-UHFFFAOYSA-N 327.413 1.774 0 40 EDAB Cc1ccc(C[C@H](C)NC(=O)CN(C)c2ncnc3[nH]cnc23)s1 96413905 XFEXXSDTCYNIMD-JTQLQIEISA-N 344.444 1.906 0 40 EDAB O=C(c1ccccn1)N1CCC2(CC[C@@H](C(=O)N3CCCC3)O2)CC1 96061259 XHMFDFFWRAAUCJ-INIZCTEOSA-N 343.427 1.858 0 40 EDAB Cn1cc(CN2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 96048616 MZYQXZZHSHZZBV-IBGZPJMESA-N 339.443 1.830 0 40 EDAB CN(C)C(=O)c1ccnc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c1 332058415 ZXOYQMUAXTUXGF-DZGCQCFKSA-N 343.387 1.233 0 40 EDAB Cn1cc(CN2CCO[C@@]3(CCCN(c4ncc(F)cn4)C3)C2)cn1 96226571 RUBQNXTTWAPDDC-KRWDZBQOSA-N 346.410 1.221 0 40 EDAB O=C(C1CCOCC1)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CCO2)C1 96217052 VJWNNYNJHAQZRV-MAUKXSAKSA-N 346.431 1.465 0 40 EDAB COC(=O)CC[C@H](C(=O)OC)N1Cc2c(cccc2[N+](=O)[O-])C1=O 35839950 RBMYJAZPAMNDAW-GFCCVEGCSA-N 336.300 1.045 0 40 EDAB CC(=O)N1C[C@H](NC(=O)c2cc(C)nc(C)n2)CC[C@@H]1C(F)(F)F 583620029 LACQFPRVGBPQHW-DGCLKSJQSA-N 344.337 1.765 0 40 EDAB CC(C)N1C[C@H](C(=O)O)CN2CCN(Cc3nccs3)C[C@H]2C1 248001923 NZQQKDQPAIRPSZ-KGLIPLIRSA-N 338.477 1.054 0 40 EDAB Cc1nc(C(=O)Nc2cccc(N3CCO[C@@H](CO)C3)c2)c(C)o1 585087454 MWLMESCEOJMVQJ-OAHLLOKOSA-N 331.372 1.741 0 40 EDAB CN(C)C(=O)C[C@@H]1CN(CCOCc2ccccc2)Cc2ccnn21 248037554 VBWNRALJOVDDBH-GOSISDBHSA-N 342.443 1.935 0 40 EDAB COc1ccccc1NC(=O)c1c(NCc2cnnn2C)n[nH]c1C 585138580 HKKWAKNLWOXRIF-UHFFFAOYSA-N 341.375 1.720 0 40 EDAB CN1CCCC[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1=O 585122251 SSQIIYRUUSQPFJ-LSDHHAIUSA-N 335.448 1.010 0 40 EDAB CC(C)(C)CN1CCC[C@@H](N2CCO[C@H](Cn3ccnn3)C2)C1=O 585115937 AIJVSBWLMMHYQR-LSDHHAIUSA-N 335.452 1.016 0 40 EDAB Cc1c(S(=O)(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cnn1C 585115314 VUKHCIKBDCPIBE-GJZGRUSLSA-N 346.456 1.485 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3nc(C)cc(O)n3)C2)cc1 257254451 KDCOSIBSDRKSRP-AWEZNQCLSA-N 349.412 1.561 0 40 EDAB CC(=O)N1CCN(C(=O)CCN2CCOCC2)C[C@@H]1c1ccccc1 257304089 SKACMGOMICELPN-GOSISDBHSA-N 345.443 1.141 0 40 EDAB CCCn1cc(CN2C[C@@H](O)[C@H](Oc3ccc(C(=O)O)cc3)C2)cn1 257312484 UODQUMGCBDKFTL-IAGOWNOFSA-N 345.399 1.615 0 40 EDAB COc1nn(C)cc1C(=O)NCC[C@@H](O)c1ccc2c(c1)OCO2 85560721 QKUISNIZTONROH-GFCCVEGCSA-N 333.344 1.011 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(C)[C@@H](c2ccccc2OC)C1 257212557 CDYDGFFCVNEGAB-OAHLLOKOSA-N 341.477 1.570 0 40 EDAB C[C@H](NC(=O)Nc1cccc(S(C)(=O)=O)c1)C(=O)OC(C)(C)C 269426199 XMLUSGNCHLNTPM-JTQLQIEISA-N 342.417 1.942 0 40 EDAB CCn1cnc2c(c1=O)CCN(C(=O)c1ccc(C(=O)O)cc1)C2 263462260 VXKZKLGBCOFMPQ-UHFFFAOYSA-N 327.340 1.160 0 40 EDAB Cn1ccc(CNC2CCN(CCNC(=O)OC(C)(C)C)CC2)n1 1614998693 ACBULGHVJKGARW-UHFFFAOYSA-N 337.468 1.499 0 40 EDAB CC(C)[C@@H](NCCOCCO)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1615000699 CAWOXEUUBHSWNF-LSDHHAIUSA-N 330.469 1.867 0 40 EDAB CC(C)C[C@@H]1CN(C)CCN1C(=O)Nc1ccn(CCN(C)C)n1 1615002475 GBQSSTZQJUKDST-OAHLLOKOSA-N 336.484 1.639 0 40 EDAB O=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccc(Cn2cncn2)cc1 604969735 QTXOKAFIWFKMRE-UHFFFAOYSA-N 347.378 1.865 0 40 EDAB CC(C)(C(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)C(F)(F)F 1615612217 AKUFGAKJZMNUNS-MRVPVSSYSA-N 333.314 1.129 0 40 EDAB CCCN(CCC)S(=O)(=O)N1CCN(Cc2nccs2)CC1 390833719 LYAMNGJXCXMKHS-UHFFFAOYSA-N 346.522 1.628 0 40 EDAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cc[nH]n2)C3)n1 575403402 HZIKIBRUONZJLQ-HNNXBMFYSA-N 342.399 1.704 0 40 EDAB O=C(NC1CC1)C1=NOC2(CCN(C(=O)Cc3ccccc3)CC2)C1 585101220 OTAOIWAEMAXCER-UHFFFAOYSA-N 341.411 1.645 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 585280659 MVOJSOCBCZCSKV-HZPDHXFCSA-N 349.456 1.343 0 40 EDAB Cc1cnccc1C(=O)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 585275816 AITZMGHQGIDKEL-IBGZPJMESA-N 344.386 1.975 0 40 EDAB CNC(=O)C[C@@]1(O)COCCN(C(=O)c2ccc3oc(C)cc3c2)C1 585280625 MEUIDPQHRIUGPV-SFHVURJKSA-N 346.383 1.081 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)ccc1F 96099706 HCIDLYVYSPGJDM-AWEZNQCLSA-N 342.436 1.354 0 40 EDAB CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 516623580 BPSOJPAOPHBUFP-GXFFZTMASA-N 331.424 1.406 0 40 EDAB Cc1nc(C)n(CCNC(=O)c2cccc(N3CCCC3=O)c2)n1 12195780 BQBLTILHYGJHHX-UHFFFAOYSA-N 327.388 1.452 0 40 EDAB C[C@]1(NC(=O)c2ccc(N3CCCC3=O)cc2)CCS(=O)(=O)C1 13020729 MOGARXZZLORCBE-INIZCTEOSA-N 336.413 1.120 0 40 EDAB CC[C@@H](C(=O)N[C@@H](C)COC)N(c1ccc(F)cc1)S(C)(=O)=O 13715902 YTIVSGMGTZFAGT-FZMZJTMJSA-N 346.424 1.521 0 40 EDAB CC(C)C[C@H]1N=C2c3ccccc3N=C(SCC(N)=O)N2C1=O 15783515 DNRIAOQOCAOMPF-GFCCVEGCSA-N 330.413 1.910 0 40 EDAB Nc1cc(=O)[nH]c(SCC(=O)c2ccc(OC(F)F)cc2)n1 16035272 WKXDUSJRBHLYDG-UHFFFAOYSA-N 327.312 1.929 0 40 EDAB OC1(c2cccnc2)CCN(Cc2ccnc(N3CCCC3)n2)CC1 19338312 QLEWLPLGQSDPOL-UHFFFAOYSA-N 339.443 1.955 0 40 EDAB Cc1ccc(OC[C@@H]2CCN(c3c(C)c(C)nc4ncnn34)C2)nn1 1888870042 BBOLTGUJWIOFJF-CQSZACIVSA-N 339.403 1.745 0 40 EDAB O=C(CN1CCO[C@H](C(=O)N2CCCCC2)C1)NCc1ccccc1 1888928979 ZNDRVZLWVNTLKG-KRWDZBQOSA-N 345.443 1.016 0 40 EDAB Cn1cnnc1CN1CCC(Cn2cnc3ccccc3c2=O)CC1 1776001645 DUBWSWPGFAKRPD-UHFFFAOYSA-N 338.415 1.437 0 40 EDAB CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238893969 QWKZTZCGKXHEPS-UHFFFAOYSA-N 330.410 1.041 0 40 EDAB COC(C)(C)C(=O)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 2037763962 CPEQVASSGMJQAS-INIZCTEOSA-N 342.399 1.864 0 40 EDAB CC(C)NC(=O)[C@H]1CCC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1 1565550226 UZODDWGKFDTSMD-CAOSSQGBSA-N 334.460 1.812 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4cccnc4)[C@@H]3C2)o1 1565554861 HNTZBEWZMJQBBB-WBVHZDCISA-N 327.384 1.708 0 40 EDAB CCOC(=O)[C@@H](CC)Sc1ccnc2c1c(=O)n(C)c(=O)n2C 4942226 METOXHZZSGMUIR-SECBINFHSA-N 337.401 1.066 0 40 EDAB Cc1cc(CN[C@@H]2CCc3onc(CN4CCCC4)c3C2)n(C)n1 2055745660 RRPANRTZAIPDKJ-CQSZACIVSA-N 329.448 1.959 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](Oc2ccncn2)C1 575608612 GRYLENDNVJHNKJ-LBPRGKRZSA-N 338.389 1.314 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)NCc2cnoc2C)cc1 575608781 KNWLDUKAHMHHTI-UHFFFAOYSA-N 325.346 1.640 0 40 EDAB COCC(=O)N1CCC[C@H]1C(=O)c1cnn(-c2ccccc2)c1N 19592811 LSAANNKPJYQFPG-AWEZNQCLSA-N 328.372 1.275 0 40 EDAB NC(=O)c1ccc(N2C(=O)C[C@H](Sc3cccc(N)c3)C2=O)cc1 13576054 VSORVAMTYLMFOV-AWEZNQCLSA-N 341.392 1.792 0 40 EDAB O=C(NCCCn1cccn1)c1cccc(N2CCCS2(=O)=O)c1 30166937 KXITVUSDKWMSIJ-UHFFFAOYSA-N 348.428 1.243 0 40 EDAB Cn1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1=O 30522858 UTTCPLIICJANGO-AWEZNQCLSA-N 347.440 1.250 0 40 EDAB CC[C@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)N1CCCC1 31229446 JQORXKPEUVBXIS-CYBMUJFWSA-N 328.416 1.538 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)C[C@@H](C)O1 40488000 OSJFRWSTRRHISM-MXWKQRLJSA-N 330.372 1.615 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@H]1O3 100781392 SGHPRHVRHUWVMB-OLMMMNRUSA-N 338.363 1.577 0 40 EDAB biogenic Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCO[C@H]1CCCC[C@@H]1C 40536059 FNJIJOYFUVGTQX-FZMZJTMJSA-N 337.420 1.016 0 40 EDAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCCNc1cnccn1 40525092 JCCWODYMIQSNBS-CYBMUJFWSA-N 326.400 1.961 0 40 EDAB CCCCN(C)C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C 40539890 YSPXGNSSUKOMRC-UHFFFAOYSA-N 331.420 1.636 0 40 EDAB O=C(NCCN1CCOCC1)c1nc(-c2ccc3[nH]ccc3c2)no1 20678009 WKAXQDZZFJRFPH-UHFFFAOYSA-N 341.371 1.280 0 40 EDAB COc1cc(/C=C/C(=O)N2CC[C@@H](C(N)=O)C2)cc(Cl)c1OC 41126655 WTEYNTCNBGSGPI-PGLGOXFNSA-N 338.791 1.704 0 40 EDAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CC[C@@H](C(N)=O)C1 41128852 GUYXYBHBNFRHBY-ZYOFXKKJSA-N 338.839 1.848 0 40 EDAB Cc1cn2nc(N3CCN(C[C@H](O)c4ccccc4)CC3)sc2n1 69628132 LGXTWXYSDXBDDL-HNNXBMFYSA-N 343.456 1.955 0 40 EDAB Cc1cnn(CCC(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 76497078 YOVDZMHFZLXXPC-KBPBESRZSA-N 327.450 1.396 0 40 EDAB Cc1cnn(CCC(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 76497082 YOVDZMHFZLXXPC-ZIAGYGMSSA-N 327.450 1.396 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(CCc3ccc4c(c3)CCO4)C2)n[nH]1 78900479 FWTMRTDLMKDBOG-OAHLLOKOSA-N 340.427 1.866 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc2oc(C3CC3)nc2c1 33214629 UHUBGDOLACTCGE-UHFFFAOYSA-N 326.312 1.194 0 40 EDAB C[C@H](CCc1ccc(Br)cc1)NC(=O)Cn1cnnn1 53221692 UQVZJVICJLVNMH-SNVBAGLBSA-N 338.209 1.573 0 40 EDAB Cc1nn(C)c2ncc(C(=O)N3CCOC[C@H]3c3cccn3C)cc12 97144047 DOQSHCSFNBRBDW-INIZCTEOSA-N 339.399 1.829 0 40 EDAB CCC[C@H]1NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O 23249037 JBDSWCVZVKXZPY-CQSZACIVSA-N 336.461 1.544 0 40 EDAB O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccco1 2952302 RXYVGPNJHVBLLF-UHFFFAOYSA-N 341.367 1.770 0 40 EDAB CC(C)(C)n1nc(C(=O)NC2CCN(CC(N)=O)CC2)cc1C1CC1 42768076 OCMTVQXOVTZXKE-UHFFFAOYSA-N 347.463 1.195 0 40 EDAB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 105706828 DUGADXJIMZGXHY-VXGBXAGGSA-N 327.425 1.274 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(Cc2cccnc2)C1 84304263 DYJCEYKSZQYDCW-MRXNPFEDSA-N 326.448 1.794 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2cc(C(C)C)no2)CCN1C[C@H](C)O 106906783 DEKCVFIMXHVAIC-UONOGXRCSA-N 338.452 1.514 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN([C@H](C)C(=O)Nc3nccs3)C2)o1 107503417 HQASFIWGFDTILJ-OLZOCXBDSA-N 349.460 1.973 0 40 EDAB O=C(C[C@H](CN1CCOCC1)C(=O)O)Nc1ccc(Cl)nc1 72403824 BNAJQJKZGGTUDY-SNVBAGLBSA-N 327.768 1.097 0 40 EDAB Cc1nccn1-c1ncccc1NC(=O)c1ccc(-n2cnnn2)cc1 57222034 RCNDOEOKCXCDAJ-UHFFFAOYSA-N 346.354 1.804 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc4cn[nH]c4c3)cc2o1 12532496 GETLMRSPZQTJMT-UHFFFAOYSA-N 330.325 1.798 0 40 EDAB CCn1c(=O)c2sccc2n(CC(=O)Nc2cc(C)on2)c1=O 57478689 YUIPIINHTCIDAJ-UHFFFAOYSA-N 334.357 1.180 0 40 EDAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1nc[nH]n1 72402220 UFOPTKGHVBMOPL-UHFFFAOYSA-N 325.328 1.335 0 40 EDAB CNC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(Cl)cc2)c1 58147160 UINUFFJBFULJEX-UHFFFAOYSA-N 333.775 1.178 0 40 EDAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CC1 58143777 QQBAZAJSRLSXDR-CYBMUJFWSA-N 347.415 1.990 0 40 EDAB O=C(Nc1nnn[nH]1)c1ncc(Br)cc1Br 97376391 XABUEJQFETYISY-UHFFFAOYSA-N 347.958 1.372 0 40 EDAB CN1CCC(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 58202964 AWJIVWRYVXYZHL-UHFFFAOYSA-N 344.864 1.572 0 40 EDAB COCCOC(=O)c1c(C)[nH]c(C(=O)OCCn2cccn2)c1C 58264253 CPFDSYKOKWITNQ-UHFFFAOYSA-N 335.360 1.488 0 40 EDAB CCN(Cc1ccco1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 44909443 MTJQHIWRBGTBBE-UHFFFAOYSA-N 348.380 1.473 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)[C@@H](C)S(C)(=O)=O)cn2)C[C@@H](C)O1 44966846 XEKSIABZXZRVBS-GRYCIOLGSA-N 341.433 1.067 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@@H](NS(C)(=O)=O)C1 58356937 ZRWAXCZWJNWSAX-CYBMUJFWSA-N 349.456 1.673 0 40 EDAB CNC(=O)NC(=O)CCN(Cc1ccccc1)C[C@@H](C)C(=O)OC 58314222 BKWZBARWSPLNNR-CYBMUJFWSA-N 335.404 1.143 0 40 EDAB O=C(CN1Cc2ccccc2C1)NCc1n[nH]c(=S)n1C1CC1 84582083 CDFHGUWNABSBDD-UHFFFAOYSA-N 329.429 1.908 0 40 EDAB CN(C)CCN1CCN(C(=O)CCc2c(F)cccc2F)CC1 48108007 PYYHPIFJEMDOAE-UHFFFAOYSA-N 325.403 1.603 0 40 EDAB O=C(Nc1ccccc1N1CCCCC1)N[C@H]1CCS(=O)(=O)C1 58414712 RHBKBQGBBJNVLC-ZDUSSCGKSA-N 337.445 1.986 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1n[nH]c(-c2ccccn2)n1 48290563 OFNLOCZHYPIPFE-VIFPVBQESA-N 326.316 1.217 0 40 EDAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1cnccn1 48280654 HFACIOFQTKKNKH-UHFFFAOYSA-N 349.188 1.367 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)NC[C@H]3CCCN3C)cnc12 48274841 HSCNQVIXWPMVED-CQSZACIVSA-N 328.416 1.305 0 40 EDAB CN(CC(=O)NCc1cccs1)Cc1nc2ccccc2c(=O)[nH]1 36384539 GBVZHHIRBXPDMI-UHFFFAOYSA-N 342.424 1.733 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 3311966 NLZKBGFOZBWIDY-UHFFFAOYSA-N 348.277 1.976 0 40 EDAB CCc1ccc(N2C[C@H](C(=O)N[C@H]3CCN(C4CC4)C3)CC2=O)cc1 60065754 AJBZSZAMMDNTLV-CVEARBPZSA-N 341.455 1.955 0 40 EDAB COc1ccc(Nc2nnc(SCC(=O)NC(N)=O)s2)cc1 3572733 OGNRODZXACEVJI-UHFFFAOYSA-N 339.402 1.577 0 40 EDAB Cc1cc(NC(=O)CCN(C)[C@H]2CCCN(c3cccnn3)C2)no1 69870689 UNEYUAROQBQUQQ-AWEZNQCLSA-N 344.419 1.702 0 40 EDAB CS(=O)(=O)NCCC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 69842738 FCAUSWAFWMGESX-HOTGVXAUSA-N 338.473 1.843 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)c2cc(=O)c(OC)co2)n1 38516630 ZXRWSOXGHYJTOE-UHFFFAOYSA-N 338.341 1.463 0 40 EDAB O=C(c1ccc(CN[C@@H]2CCc3ncnn3C2)cc1)N1CCCC1 69902065 FAUKSVGLBXKRAQ-MRXNPFEDSA-N 325.416 1.619 0 40 EDAB CC(C)c1cc(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)n[nH]1 69970897 QWMGCMOXJGNRCD-UHFFFAOYSA-N 341.415 1.594 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(C(=O)c2ccccc2)cc1 4247878 CCOCOHXDSLNDJO-MRXNPFEDSA-N 343.404 1.835 0 40 EDAB CC(C)Oc1ccc([C@@H](C)NC(=O)c2nccnc2C(N)=O)cc1 72881715 HZUKPYMZNCPRJV-LLVKDONJSA-N 328.372 1.854 0 40 EDAB O=C(NCCN1CCCCC1)[C@H]1CC(=O)N(c2ccccc2F)C1 39918303 NHNKFEHEVSEMTI-AWEZNQCLSA-N 333.407 1.781 0 40 EDAB Cc1nc(C)c(C(=O)NCCNC(=O)Cc2cccc(F)c2)s1 65415393 SQJTYMFBCSVUEW-UHFFFAOYSA-N 335.404 1.988 0 40 EDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1nnc(C)o1 65552575 AURCIGVOWRCJPF-OAHLLOKOSA-N 328.372 1.530 0 40 EDAB CC(C)c1cc(C(=O)N2CCN(CC(N)=O)CC2)nn1C(C)(C)C 65521154 DORCZODBWDLUDP-UHFFFAOYSA-N 335.452 1.005 0 40 EDAB CC(C)c1n[nH]c(C(=O)N2CCC(C(N)=O)CC2)c1Br 65591743 VNGPREFGJFQBEA-UHFFFAOYSA-N 343.225 1.633 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(=O)c2cc(Cl)ccc2o1 5346167 DYGLQKPRGAWMMK-VIFPVBQESA-N 341.772 1.363 0 40 EDAB O=C(CNC(=O)CNC(=O)c1ccco1)NCc1ccc(Cl)cc1 14170432 KLZDJKZQLKZXAI-UHFFFAOYSA-N 349.774 1.095 0 40 EDAB O=C(CNC(=O)c1cccs1)NCc1ccc2c(c1)OCCO2 14185030 YLPVBOSQDTWVKI-UHFFFAOYSA-N 332.381 1.566 0 40 EDAB O=C(c1ccc(OCC2CC2)nc1)N1CCN(CC(F)F)CC1 65622495 ROXNEIDHLNQSAQ-UHFFFAOYSA-N 325.359 1.893 0 40 EDAB CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccccc1 6508458 NSRPZDFBMFBDGL-LBPRGKRZSA-N 327.340 1.458 0 40 EDAB Cc1ccc(O)c(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 95395483 SZBQFHOGSMRJRM-CYBMUJFWSA-N 339.395 1.808 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 7052266 YOUARHFDBBERJW-UHFFFAOYSA-N 340.426 1.752 0 40 EDAB CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)OC 7246950 PRTKVBPDLNUVHN-HZMBPMFUSA-N 327.402 1.755 0 40 EDAB NC(=O)c1cnc2n1CCN(C(=O)c1ccc(-c3ncc[nH]3)s1)C2 67842831 UCPWZAGVJRVLIM-UHFFFAOYSA-N 342.384 1.090 0 40 EDAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 68063618 STDPFTYNSVUHQM-DYVFJYSZSA-N 344.440 1.975 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCCO1 7768608 FFWNKQZNFVWSMY-OAHLLOKOSA-N 338.429 1.979 0 40 EDAB CN(C)S(=O)(=O)c1cc(NC(=O)C2=COCCO2)ccc1Cl 7985156 UWSDTRUZXINCBK-UHFFFAOYSA-N 346.792 1.417 0 40 EDAB O=C(O)C[C@@H]1CN(C(=O)c2cc(Br)ccc2F)CCO1 91292610 ADTWQVCIPVKCIT-SECBINFHSA-N 346.152 1.904 0 40 EDAB C[C@H](C(=O)Nc1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 19670539 PNKSXBPNIGTQEW-MRXNPFEDSA-N 344.459 1.254 0 40 EDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 8231504 HVMZBTRMNFTIQJ-SGTLLEGYSA-N 347.415 1.767 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(CC(=O)NC(C3CC3)C3CC3)CCO2)n1 69350023 LDUXDZJWAHHZHI-QGZVFWFLSA-N 346.475 1.506 0 40 EDAB CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C(=O)NC)cc1 69323552 JYRQWGWBHPRWAZ-FZMZJTMJSA-N 349.456 1.932 0 40 EDAB Cc1noc([C@@H](C)N2CCN(Cc3nnc(C4CC4)n3C)CC2)n1 69376366 JFRHMCGAZONVNG-LLVKDONJSA-N 331.424 1.263 0 40 EDAB COCCNC(=O)c1ccc(N[C@H]2c3ccccc3C[C@H]2O)nc1 91430522 FZUSKNVWJHFYHH-WBVHZDCISA-N 327.384 1.528 0 40 EDAB COCCOc1ccc(Nc2ncnc3c2cnn3CCO)cc1 97200281 XMLDJYDLMFHBIP-UHFFFAOYSA-N 329.360 1.587 0 40 EDAB COCCOc1ccc(C(=O)N2CCn3c(C)nnc3C2)cc1OC 69461954 FVKWYPHTUSSYSA-UHFFFAOYSA-N 346.387 1.276 0 40 EDAB CC1CCC(NS(=O)(=O)CC(=O)Nc2ccccc2O)CC1 69492592 RTLZIGWMAJDAQO-UHFFFAOYSA-N 326.418 1.829 0 40 EDAB COC(=O)c1ccc(Cl)c(Cn2cc(Cl)c(=O)[nH]c2=O)c1 97237192 VQCTZWWZEQTZHP-UHFFFAOYSA-N 329.139 1.678 0 40 EDAB O=S(=O)(Cc1ccn(-c2ccccc2)n1)Cc1nnnn1C1CC1 69581777 KYPNIMPHZRZQHO-UHFFFAOYSA-N 344.400 1.309 0 40 EDAB CCc1ccc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)s1 69538343 OKAIEQYLORGRFD-CYBMUJFWSA-N 330.475 1.741 0 40 EDAB CN(Cc1ccccc1)C(=O)COc1ccccc1P(=O)(O)O 9419723 QLKHVOYWIIYCCV-UHFFFAOYSA-N 335.296 1.527 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1cn(C)nc1-c1cccnc1)CC2 69652319 CBDDUQJBCDAWSW-HNNXBMFYSA-N 337.431 1.741 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)N1CCC[C@H](n2ccnc2)C1 71796551 CDDBFVFZINXKGZ-LBPRGKRZSA-N 343.412 1.518 0 40 EDAB NC(=O)NCc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 9544507 NCMRPRUXEXRQMV-CQSZACIVSA-N 341.367 1.425 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Sc1ccc(S(C)(=O)=O)cc1 71851044 YCCHJUYVOHGFBJ-SECBINFHSA-N 330.431 1.416 0 40 EDAB C[C@H](CN1CCN(C)CC1)NC(=O)CCc1nc2ccccc2s1 71883496 JFUTYPRCLFHDKE-CQSZACIVSA-N 346.500 1.981 0 40 EDAB COc1cccc(CCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1OC 71829784 VUOPGEHCLKPYCL-GXTWGEPZSA-N 334.416 1.749 0 40 EDAB O=C(c1cc2c(F)cccc2[nH]1)N1CCC[C@@H](N2CCNC2=O)C1 71841717 DEFCQBCCWBAIBY-LLVKDONJSA-N 330.363 1.937 0 40 EDAB O=C(N[C@H]1CCN(c2ccccn2)C1)N[C@@H](CO)Cc1ccccc1 95435556 OYYFCXWQMCBOEI-DLBZAZTESA-N 340.427 1.563 0 40 EDAB CC(C)(C)[C@@H](O)CNC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 71900739 QKOXQTZXJRHWFM-ZDUSSCGKSA-N 348.403 1.267 0 40 EDAB CN(CC(=O)NCc1ccco1)[C@H]1CCN(c2ccccc2F)C1=O 71900646 WRACEEHYMRKJCP-INIZCTEOSA-N 345.374 1.772 0 40 EDAB C[C@H](NC(=O)N1CCC(Cc2cccnc2)CC1)c1nncn1C 95457419 PFDSHYQZCUDBRY-ZDUSSCGKSA-N 328.420 1.935 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)cc2)C(C)(C)C1 95460660 AOLMOLCULWUVMA-UHFFFAOYSA-N 345.443 1.606 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@H](CO)Cc2ccccc2)c(=O)[nH]1 84072757 SXWMOXAETDXDGR-MRXNPFEDSA-N 343.427 1.642 0 40 EDAB Cc1cc(CN(C)C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)no1 97045642 VWAGNHXMRUWSHK-MRXNPFEDSA-N 338.429 1.726 0 40 EDAB Cc1cc(NC(=O)CN(C)S(=O)(=O)CC2CCCCC2)no1 72230460 MZDSPTJNHIMOEW-UHFFFAOYSA-N 329.422 1.763 0 40 EDAB O=C(NCCn1cnc2ccccc21)Nc1cccnc1-n1cncn1 72289447 DETNVAMGXDNTGS-UHFFFAOYSA-N 348.370 1.834 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)NCCO)cc1 72271548 DYHWVSPUENANCY-UHFFFAOYSA-N 328.434 1.049 0 40 EDAB CCSc1cc(C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)ccn1 72275310 NROWOGVXYIZYJD-UHFFFAOYSA-N 342.380 1.976 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc21)Nc1cnn(-c2ccccn2)c1 72292411 ZPYYMTOJRQGSRX-UHFFFAOYSA-N 334.339 1.549 0 40 EDAB CC[C@H](CNC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccccc1 72267644 VPIQRKPNPWGMJP-SJLPKXTDSA-N 333.476 1.559 0 40 EDAB Cc1nc(CN2CCC[C@@H](NCC(=O)Nc3nccs3)C2)no1 72234600 AXDNVFAJNXIDAQ-LLVKDONJSA-N 336.421 1.027 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H]1c2ccccc2C[C@H]1O 74675546 LMPOMCMMYSJZBT-AFBMGJRZSA-N 342.443 1.925 0 40 EDAB Cn1cc(N2CCC[C@H](NC(=O)NCC3(O)CCCCCC3)C2)cn1 74612894 XLFFJTUPUUHWMH-HNNXBMFYSA-N 349.479 1.773 0 40 EDAB CNC(=O)CN1CCC(N[C@H]2CSCCc3ccccc32)CC1 89386119 DEIWJXMVLGSZMO-KRWDZBQOSA-N 333.501 1.817 0 40 EDAB COc1cccc(NC(=O)Nc2cnn(C[C@@H](O)CN(C)OC)c2)c1 75143646 NZTFDVXPWNQJBA-AWEZNQCLSA-N 349.391 1.390 0 40 EDAB CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN(Cc2nnc(C)o2)C1 89736350 GAHXKUKEKMOXML-CYBMUJFWSA-N 348.407 1.507 0 40 EDAB CS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1ccccc1 408625895 JOMFRKBRPYUXKN-UHFFFAOYSA-N 326.418 1.092 0 40 EDAB Cn1cc(CN2C[C@H]3[C@@H](C2)N(CC2CC2)C(=O)c2cccn23)cn1 306132200 LBODDSVSFYPIDF-DLBZAZTESA-N 325.416 1.513 0 40 EDAB O=C(NS(=O)(=O)c1cccc2nsnc12)[C@@H]1CC[C@@H]2C[C@@H]2C1 408498765 KWSKVWJMBCIRRM-OPRDCNLKSA-N 337.426 1.932 0 40 EDAB CCn1c(C)cc(C(=O)N2C[C@H]3COC[C@]3(c3nnc(C)o3)C2)c1C 1551082039 ZDOFSNHYHHOFCM-KBXCAEBGSA-N 344.415 1.856 0 40 EDAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)no1 408663244 RPPGJMCWTCDLGR-UHFFFAOYSA-N 349.318 2.023 0 40 EDAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1cccnc1)CC(=O)N2 31808984 CDGDUYMXPSUXAV-NSHDSACASA-N 346.354 1.716 0 40 EDAB COCCOc1ncccc1NS(=O)(=O)[C@H]1CCCC[C@@H]1O 78552079 XTHQZTPOCDZOFV-STQMWFEESA-N 330.406 1.152 0 40 EDAB O=C(CSc1nccc(=O)[nH]1)Nc1ccc(C(=O)NC2CC2)cc1 35313073 KSUDQHHYIHTWAT-UHFFFAOYSA-N 344.396 1.393 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](Oc2cnsn2)C1 670902324 FIQHCFHDCABDMZ-LLVKDONJSA-N 343.405 1.828 0 40 EDAB CC(C)NC(=O)CN(CCc1ccccc1F)CC(=O)NC(C)C 32831232 OEHRWJNXSUUEQM-UHFFFAOYSA-N 337.439 1.719 0 40 EDAB CNCC(=O)N1CCC[C@H]1c1nc(C)cc(Nc2ccccn2)n1 72363276 KSYGBHLTFHJJQP-ZDUSSCGKSA-N 326.404 1.807 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)Nc2ccon2)[C@@H]1c1ccc(Cl)cc1 72241413 BYEIQGAKGPFQCU-UONOGXRCSA-N 335.747 1.865 0 40 EDAB Cc1cc2c(N3CCN(C(=O)c4ccon4)CC3)ncnc2s1 187105551 DYSZGQFZKYYOMA-UHFFFAOYSA-N 329.385 1.950 0 40 EDAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Cl)cc1 218414739 AWWJMCMDZGGYOW-SGMGOOAPSA-N 331.821 1.501 0 40 EDAB COCCNC(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 78441802 VXEDJZLCSPYCBI-LBPRGKRZSA-N 327.375 1.999 0 40 EDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)C(=O)Nc1ccon1 134244465 LUWKDVSECWEZJV-ZDUSSCGKSA-N 328.372 1.870 0 40 EDAB C[C@H]1CN(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)CCO1 78926336 ZDYGWMKLZDPWJE-OLZOCXBDSA-N 329.441 1.920 0 40 EDAB CC(C)(C)S(=O)(=O)CC(=O)Nc1ccc2c(c1F)CCNC2 567672109 CWBCUSNVBVJWCI-UHFFFAOYSA-N 328.409 1.623 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NC[C@@H](C)c2ccccc2)s1 225138020 LWZYHDYDAKTMBU-SECBINFHSA-N 340.430 1.579 0 40 EDAB Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H]4CN(C)CCO4)C3)[nH]c2c1 85517270 DAOOBGKQIXVGRA-YOEHRIQHSA-N 342.443 1.908 0 40 EDAB O=C(NCc1nccc(N2CCOCC2)n1)c1ccc(Cl)cc1 224168868 MBNJHVCEVYMCCI-UHFFFAOYSA-N 332.791 1.897 0 40 EDAB Cc1c(S(=O)(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)cnn1C 582038633 STRMIPDFQZTSNK-WFASDCNBSA-N 335.429 1.879 0 40 EDAB CC(=O)N1CC(NC(=O)C[C@](O)(c2ccccc2)C(F)(F)F)C1 195552704 NTUZOCFZDSGACR-AWEZNQCLSA-N 330.306 1.174 0 40 EDAB CN(C)CCN1C(=O)CC[C@]12CCCN(Cc1cncn1C)CC2 96217725 IENSRWXDDXHLNA-SFHVURJKSA-N 333.480 1.329 0 40 EDAB CCN1CC[C@]2(CCCN(S(=O)(=O)Cc3ccccc3)C2)C1=O 96073926 LJVHLHWXLDZYGM-KRWDZBQOSA-N 336.457 1.851 0 40 EDAB COC(=O)[C@@H](CCSC)NC(=O)c1cc(C)nc2onc(C)c12 98041227 MDWCALBYHZOZKO-LLVKDONJSA-N 337.401 1.864 0 40 EDAB Cc1nc(CN2CCOC[C@@]3(CCCN(CCO)C3)C2)cs1 96229367 MWXRMNHHFDNOFY-MRXNPFEDSA-N 325.478 1.358 0 40 EDAB CC1(C)CN=C(N2CCN(Cc3cnc4ncccn34)CC2)S1 92032096 OYLDEAGUXNPKFK-UHFFFAOYSA-N 330.461 1.728 0 40 EDAB Cn1c(=O)cc(C(=O)NCc2nnc3ccccn23)c2ccccc21 95477212 JEXFMFHIGAIYQV-UHFFFAOYSA-N 333.351 1.511 0 40 EDAB O=C(c1ccnnc1)N1CCC2(CC1)C[C@@H](Oc1cccnc1)CO2 96106720 JAJDFEMXROAGRG-MRXNPFEDSA-N 340.383 1.714 0 40 EDAB Fc1cccnc1N1CCC[C@@]2(CN(c3cnccn3)CCO2)C1 96074786 YQSQTJKOEZEICX-QGZVFWFLSA-N 329.379 1.887 0 40 EDAB O=C([C@@H]1CN(Cc2cccs2)Cc2ccnn2C1)N1CCOCC1 96188810 XQDIGDVYQQYHIW-CQSZACIVSA-N 346.456 1.435 0 40 EDAB Cc1cc(Br)cnc1N(C)C[C@H](O)CN1CCOCC1 96466684 SXKUOUAMFFQAJW-ZDUSSCGKSA-N 344.253 1.282 0 40 EDAB CN1CCN(C(=O)C[C@@H]2C[C@H]3CN(Cc4cccs4)C[C@H]3O2)CC1 96208316 IFPCHWUIFUPFDC-YQQAZPJKSA-N 349.500 1.502 0 40 EDAB COC(=O)[C@H](NC(=O)Cn1cnc2c1CCCC2)c1ccccc1F 97232789 NGNRILVSYROEEI-QGZVFWFLSA-N 345.374 1.932 0 40 EDAB Cc1ccc(CN2Cc3cncn3[C@H](C(=O)N3CCCO3)C2)s1 248119110 UKGHNRQRAFTDTE-HNNXBMFYSA-N 332.429 1.974 0 40 EDAB CCOCn1nc(C)c(CC(=O)N[C@@H](C)[C@@H](C)C(=O)OCC)c1C 585089560 WZNWVNZUCFWPHD-NEPJUHHUSA-N 339.436 1.740 0 40 EDAB O=C(c1ncccn1)N1CC2(C[C@@H](Oc3cccnc3)CCO2)C1 247844128 GKFNHYAIKJHBST-ZDUSSCGKSA-N 326.356 1.324 0 40 EDAB O=C(c1cc(F)c(F)c(F)c1F)N1CCO[C@H](Cn2ccnn2)C1 585128119 SEOGUJLEXASVAS-QMMMGPOBSA-N 344.268 1.376 0 40 EDAB C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(Cc1nc(O)n[nH]1)C2 585133240 BWICLHUDKDFUNK-QZTJIDSGSA-N 327.432 1.854 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)N1C[C@H](CO)Cc2cccc(F)c21 585127233 UFSQKHYMDQSOBJ-GZBFAFLISA-N 337.391 1.907 0 40 EDAB CO[C@@H]1C[C@H](CN2CCCC2)N(C(=O)CC(C)(C)CC(=O)O)C1 585139511 IWFFYNOVUUQTDK-ZIAGYGMSSA-N 326.437 1.589 0 40 EDAB CNC(=O)CN1CCC[C@H](c2nccnc2Nc2nc(C)cs2)C1 257215685 CRFBCSKVBVTQLC-LBPRGKRZSA-N 346.460 1.911 0 40 EDAB CCn1nc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)cc1C 257207307 BHEBVYYYKHJOOV-MRXNPFEDSA-N 343.431 1.886 0 40 EDAB CC(=O)N1CCCN(Cc2cncc([C@@H]3CCCN3C(C)=O)n2)CC1 257263583 LQQLZEQLYMADSL-SFHVURJKSA-N 345.447 1.214 0 40 EDAB CC(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)C[C@H]1C(N)=O 257303409 SHCLKQQXUIPHBU-ZDUSSCGKSA-N 330.215 1.511 0 40 EDAB Cc1ccn(CCC(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)n1 257280246 OKBDKUGJTJOADD-GOSISDBHSA-N 343.431 1.124 0 40 EDAB Cc1csc(C(=O)N(C)C[C@@]2(O)CCN(c3cnccn3)C2)c1 257246778 IVUSCYNIZVJWAV-INIZCTEOSA-N 332.429 1.560 0 40 EDAB COc1cc2c(cc1OC)[C@@H](NC(=O)CCCn1cnnn1)CC2 524733194 DJAIFDKWOZEHLX-ZDUSSCGKSA-N 331.376 1.274 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccn(C)n2)C1 257332738 XYLXAAGXYHDAEI-SFHVURJKSA-N 346.406 1.268 0 40 EDAB O=c1nc(O)ccn1[C@H]1CCN(CCCc2ccccc2)CC[C@@H]1O 257326046 WVNYKAAAJWEDGN-IRXDYDNUSA-N 343.427 1.580 0 40 EDAB Cc1cn[nH]c1[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1 257230469 GCMSHSKACSFFQT-ZDUSSCGKSA-N 325.365 1.619 0 40 EDAB O=C1CO[C@@H]2CN(Cc3nccs3)C[C@H]2N1Cc1ccccc1 257261883 LJEWKTPEXRYECQ-HUUCEWRRSA-N 329.425 1.755 0 40 EDAB Cn1cc(C(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)nn1 90678641 YNKOIUXUTHJRQQ-UHFFFAOYSA-N 338.371 1.442 0 40 EDAB CCOCCCCNC(=O)Nc1ccc(C2=NNC(=O)CO2)cc1 1615058915 SJGSWQFVHLUPOL-UHFFFAOYSA-N 334.376 1.433 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)C[C@H]1C(F)F 1616031637 DWQXWSFEZXNWMX-LNLATYFQSA-N 327.283 1.251 0 40 EDAB O=C(CN1CC[C@@](O)(COc2ccc(F)cc2)C1)NC1CCCC1 585277979 ZENYKNGQHYRGNA-SFHVURJKSA-N 336.407 1.700 0 40 EDAB CO[C@]1(COc2cccc(C)c2)CCN(C(=O)Cc2cnc[nH]2)C1 585275362 AVYDIUDABUZRQP-GOSISDBHSA-N 329.400 1.957 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)Cc2ccccn2)C1 585275352 AVEUGVCZNUTSFR-LJQANCHMSA-N 326.396 1.975 0 40 EDAB CO[C@@]1(CCC(=O)N(C)Cc2nonc2C)CCCN(C(C)=O)C1 585281158 UEQOFPNBOGIKCW-MRXNPFEDSA-N 338.408 1.144 0 40 EDAB COc1cccc(CC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c1 47635269 DYSGDIZWUYNTSA-SJLPKXTDSA-N 348.443 1.091 0 40 EDAB C[C@@H](Nc1ccc2c(c1)CCO2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 57896109 IQJKGCRNRLVBKC-RISCZKNCSA-N 338.429 1.067 0 40 EDAB O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC(CN2CCOCC2)CC1 56813962 SFWLNLXUWYIGEX-UHFFFAOYSA-N 339.823 1.213 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)NCCc2ccc(F)cc2)C1 58014166 MYTWEGROLFCKTB-AWEZNQCLSA-N 343.424 1.091 0 40 EDAB COc1cc(Cl)ccc1C(=O)NCCN1CCN(C(C)=O)CC1 63467242 OCULSYZDPBPGOP-UHFFFAOYSA-N 339.823 1.243 0 40 EDAB O=C(NC[C@@H]1CCC[C@H]1O)c1cn(-c2cccc(Cl)c2F)nn1 95989131 VKZVKHDHJLULAP-TVQRCGJNSA-N 338.770 1.951 0 40 EDAB CCc1nc(CNS(=O)(=O)c2ccnn2CC)ccc1C(=O)O 548224032 WBHIGFIBFOYLPV-UHFFFAOYSA-N 338.389 1.037 0 40 EDAB Cc1cc(CN2CCN(CCS(=O)(=O)c3ccccc3)CC2)no1 97402413 IYIPALRXHIVYIH-UHFFFAOYSA-N 349.456 1.575 0 40 EDAB C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccc(Br)cc1F 97097126 RTZVYFFDVVPPNS-ZCFIWIBFSA-N 339.186 1.083 0 40 EDAB CNC(=O)NC1CCN(C(=O)c2ccnc(C3CCCC3)n2)CC1 1614648498 ZCUVPBVDLOUYBX-UHFFFAOYSA-N 331.420 1.668 0 40 EDAB O=C(NCc1ccccc1)N1CCOC2(CCS(=O)(=O)CC2)C1 1615614920 KLFDOJNKTSBKGA-UHFFFAOYSA-N 338.429 1.176 0 40 EDAB CCc1nnc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)s1 5192650 CZMVBRXUTONFOJ-UHFFFAOYSA-N 329.385 1.908 0 40 EDAB COc1ccc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc1Br 5355337 DIGQXKQLTQEUTO-LURJTMIESA-N 345.149 1.198 0 40 EDAB Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H](CCC(N)=O)C(=O)O 5536716 PKFASYYTBQFMPX-ZDUSSCGKSA-N 330.340 1.704 0 40 EDAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 5681031 BJZCIYVVTHJAHT-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2OC(F)F)C1=O 5878519 SGSFJODRHPACHV-UHFFFAOYSA-N 341.270 1.037 0 40 EDAB Cc1nc2cc([C@H]3CCCN3C(=O)c3ccnn3C)nn2c(O)c1C 12336998 BIISPAIKGADCSF-CYBMUJFWSA-N 340.387 1.763 0 40 EDAB COCCC(=O)N1[C@H]2CC[C@@H]1Cc1nc3ccccc3c(=O)n1C2 19593056 JVFHOLDZVNWCHX-OLZOCXBDSA-N 327.384 1.349 0 40 EDAB N=c1nc([C@@H]2CCCCN2CC(N)=O)c(-c2ccccc2F)c[nH]1 607853331 RRXBUWUEVQAWMK-AWEZNQCLSA-N 329.379 1.708 0 40 EDAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)NC(=O)NC1CC1 10394508 OAWJBJCFWTWMQD-JTQLQIEISA-N 331.401 1.736 0 40 EDAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccccc1)C1CCOCC1 579504317 URACKEKFPLQOHO-HNNXBMFYSA-N 335.429 1.866 0 40 EDAB CCS(=O)(=O)N1CCC(CNC(=O)c2cncc(Cl)c2)CC1 579915997 XJSPMHRLYDKUEH-UHFFFAOYSA-N 345.852 1.527 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC(COc2ccc3nccn3n2)CC1 1888850420 OYUNESSNCWOMLP-AWEZNQCLSA-N 330.388 1.526 0 40 EDAB COc1cc(N2CCC(CN(C)c3nccnc3OC)CC2)ncn1 1889118433 PLKBENPZMLRMJG-UHFFFAOYSA-N 344.419 1.637 0 40 EDAB CN(c1ncc(Cl)cn1)C1CCN(C[C@@H]2COCCO2)CC1 1849425387 DLOCNOMAGJOFNW-CQSZACIVSA-N 326.828 1.446 0 40 EDAB CCCn1cc(NS(=O)(=O)c2ncn(C)c2Cl)ccc1=O 38103749 DIOFMMUNTDTKGY-UHFFFAOYSA-N 330.797 1.446 0 40 EDAB O=C([C@@H]1CCOC1)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@@H]21 1565556504 LCNKGJXJTMUCDM-ZJPYXAASSA-N 346.427 1.641 0 40 EDAB O=C(c1csnn1)N1CCCn2nnc(CN3CCCCC3)c2C1 1565546325 ZJDNMUCXODTMLG-UHFFFAOYSA-N 347.448 1.162 0 40 EDAB O=C(C1CCCCC1)N1CC(=O)N(CCc2ccccc2)[C@H](O)C1 33796 URWGVJCAPYTBRW-QGZVFWFLSA-N 330.428 1.799 0 40 EDAB COc1ccnc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 9571631 OGOPUMIGNRRDMX-UHFFFAOYSA-N 331.759 1.806 0 40 EDAB CC(C)CN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055713732 DSAPBNSBQALFHB-CQSZACIVSA-N 332.448 1.700 0 40 EDAB O=C(C1CC=CC1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055773048 ORYVCJKTGCSKKK-UHFFFAOYSA-N 342.443 1.693 0 40 EDAB COc1ccc(C(=O)N2CC(Cn3nc(C4CC4)ccc3=O)C2)cc1 1775967431 RGFUPEGNCXOKQJ-UHFFFAOYSA-N 339.395 1.902 0 40 EDAB COc1ccc(C(=O)N2CC[C@@H](Oc3ncccn3)C2)c(OC)c1 575610993 RHGFOHIKNTWVLH-CYBMUJFWSA-N 329.356 1.787 0 40 EDAB CCOC(=O)CCC(=O)NCCn1nc(-c2ccncc2)cc1C 225576887 CVZSCTBZLPFKNJ-UHFFFAOYSA-N 330.388 1.713 0 40 EDAB CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(O)c1)NC(=O)N2 38671266 MJPOUVHTXONMJM-GFCCVEGCSA-N 330.344 1.267 0 40 EDAB O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCc2n[nH]c(=O)cc2C1 238815732 BKRLVEQLHWHJEP-SNVBAGLBSA-N 335.766 1.779 0 40 EDAB Cn1c(CSc2nnc(-c3ccc(F)cc3)o2)cc(=O)n(C)c1=O 10497464 AKBKFQHEPFGPSO-UHFFFAOYSA-N 348.359 1.565 0 40 EDAB CN(Cc1ccsc1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 40052126 WDLOPKLEZSPXGM-HNNXBMFYSA-N 342.424 1.827 0 40 EDAB CCc1nnc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 100301716 KFZJQFDEIOYMBO-UXGSPEMBSA-N 346.412 1.235 0 40 EDAB CCCCOC(=O)CCN[C@H](C)c1ccc(S(N)(=O)=O)cc1 40461060 URLIBDUZWWFLSZ-GFCCVEGCSA-N 328.434 1.718 0 40 EDAB CN1CC(=O)N(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 40465529 LOKAWVLMLYXXRL-INIZCTEOSA-N 340.379 1.987 0 40 EDAB CCOc1ncccc1C(=O)NCc1ccc(S(=O)(=O)NC)cc1 40498977 LEFQRBSXWSYMQO-UHFFFAOYSA-N 349.412 1.318 0 40 EDAB COc1ccc(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 40549161 AGWZQJGLEIJTBA-OAHLLOKOSA-N 341.415 1.953 0 40 EDAB Cc1csc(CN(C)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 101174986 XPFYAFQOWNAWDZ-LWWSYDQCSA-N 345.424 1.217 0 40 EDAB C[C@@H]1n2c(=O)c(C(=O)c3nnn[nH]3)c(O)c3cccc(c32)C1(C)C 101492558 BVOPBWCWJQJZPL-ZETCQYMHSA-N 325.328 1.303 0 40 EDAB COCCS(=O)(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 101569895 VCYCMURYCBROBK-UHFFFAOYSA-N 346.880 1.824 0 40 EDAB Cc1csc(=O)n1CCC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 60555793 NJVIIPLICRCKDS-CHWSQXEVSA-N 325.478 1.845 0 40 EDAB CCn1ncc2c1CCC[C@H]2N[C@H]1CCCN(c2cnn(C)c2)C1=O 76047131 XCZMCRUUVYIJKU-CVEARBPZSA-N 342.447 1.799 0 40 EDAB COc1cc(CNc2ccn(CCN(C)C)n2)cc2c1OCCO2 79093393 ZJWUBCKQOHCYCW-UHFFFAOYSA-N 332.404 1.837 0 40 EDAB CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CCCc2ccccc21 79019035 ADLHVOCMEVMHSS-ZBFHGGJFSA-N 336.457 1.647 0 40 EDAB Cn1cc(CCNC(=O)N2CCN(Cc3cccs3)CC2)cn1 46994629 BAVBZWSZOAXPMH-UHFFFAOYSA-N 333.461 1.552 0 40 EDAB CC(=O)c1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@H]3NC2=O)cc1 4815622 IDBSMNWITVOZEX-ARFHVFGLSA-N 329.400 1.617 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)NC[C@@H]1CCCO1 7292990 AHVYYPXDNFBDJL-AWEZNQCLSA-N 344.371 1.028 0 40 EDAB O=[N+]([O-])c1ccc(C=NNc2ncc(F)c(N3CCOCC3)n2)cc1 8411945 XPACIMCYLBABGP-UHFFFAOYSA-N 346.322 1.807 0 40 EDAB Cc1ccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)c(C)c1 889697 FOKNGLGZKYNCHR-UHFFFAOYSA-N 347.440 1.781 0 40 EDAB CN(CCOc1ccccc1Cl)Cc1nc2c(cnn2C)c(=O)[nH]1 54417907 YJEVPZNVRMHOOH-UHFFFAOYSA-N 347.806 1.821 0 40 EDAB CCCCN(C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O 23696908 BJKLIAPHNNWSFH-GOSISDBHSA-N 346.431 1.607 0 40 EDAB Nc1nccnc1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 47715574 DECRJBJIQVSQFE-UHFFFAOYSA-N 347.369 1.731 0 40 EDAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3cncn3)nc2)C1 24894918 AOZZPZAGTKDLFH-LBPRGKRZSA-N 344.375 1.469 0 40 EDAB COc1cccc(N2CCN(C(=O)NCCn3ccnc3)CC2)c1 43310563 FWEHGEUZPUMCMU-UHFFFAOYSA-N 329.404 1.424 0 40 EDAB CCOC(=O)CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O 1591052 UVBRVCCGUUWYTG-QXMHVHEDSA-N 332.337 1.608 0 40 EDAB O=C(NC[C@@H]1CCN(C2CC2)C1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 107509541 XDXALHXOBHGTQX-LSTDLKDCSA-N 346.519 1.987 0 40 EDAB CCN1CCC(N(C)S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 26769505 NCTFDDXFSDLHHM-UHFFFAOYSA-N 339.461 1.199 0 40 EDAB CCCCOC(=O)Cn1cnc2sc(C(=O)OC)c(C)c2c1=O 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O=C(CCn1cncn1)Nc1cccc(I)c1 10816769 MWXSNNOJUHGHTB-UHFFFAOYSA-N 342.140 1.912 0 40 EDAB O=C(C1CC1)N1CCC[C@H](C(=O)N2C[C@@H]3[C@@H](C2)CN2CCCC[C@H]32)C1 110617163 FTBSGHCCYDCLDL-BSDSXHPESA-N 345.487 1.578 0 40 EDAB C[C@@]1(C(=O)O)CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 97165184 YKEZWMQYSXDOJK-OAHLLOKOSA-N 338.385 1.057 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)C1CCN(C(=O)N2CCCC2)CC1 58953390 CKLWXKWAHROCEM-CQSZACIVSA-N 333.436 1.316 0 40 EDAB C[C@H](C(=O)N1CCOCC1)N(C)CC(=O)Nc1ccccc1Cl 8753409 SJVJFZDRJQNCJA-GFCCVEGCSA-N 339.823 1.458 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 29188990 WACPVXWJQPSOLD-CQSZACIVSA-N 349.456 1.641 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cc2c1C 29190837 DOKJTGFOTDBCBF-CQSZACIVSA-N 349.456 1.939 0 40 EDAB Cc1nnc(SCC(=O)Nc2ccc(S(C)(=O)=O)cc2)s1 11577343 DCBJLBDBQHYPMG-UHFFFAOYSA-N 343.455 1.981 0 40 EDAB CN(C(=O)c1cc(Br)ccc1O)[C@H]1CCS(=O)(=O)C1 11639425 NTQKYHANGOQIDI-VIFPVBQESA-N 348.218 1.414 0 40 EDAB Cc1nc(C)c(CCC(=O)NC[C@H]2COc3ccccc3O2)c(=O)[nH]1 12924953 JOVODCIEZQFALO-ZDUSSCGKSA-N 343.383 1.276 0 40 EDAB CCCn1c(S[C@@H](C(=O)NC(=O)NC)c2ccccc2)n[nH]c1=O 13075013 QFYMDUKRRBTSJM-LLVKDONJSA-N 349.416 1.270 0 40 EDAB Cn1cnnc1SCc1nc(N)nc(Nc2ccc(F)cc2)n1 9512255 SLAJSNKCZPRUOA-UHFFFAOYSA-N 332.368 1.757 0 40 EDAB COCCN(C)C(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 71867502 ANXKWNSCRDOIFJ-HOTGVXAUSA-N 347.459 1.830 0 40 EDAB COCCNC(=O)[C@H](C)Oc1cccc(I)c1 8939584 AFPQZESYBSJPEB-VIFPVBQESA-N 349.168 1.821 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(CC(=O)N[C@@H](C)C2CC2)CC1 71185591 YADZJHUNNFAZNB-INIZCTEOSA-N 343.471 1.596 0 40 EDAB CCc1nn(C)c(OC)c1CNC(=O)[C@@H](C(C)C)N1CCCC1=O 93024067 ZTFBPAGKUGWXKS-OAHLLOKOSA-N 336.436 1.254 0 40 EDAB O=S(=O)(C[C@@H]1CSc2ncnc3ncn1c23)c1ccccc1 6309663 SSFCJTSZBOLQSD-JTQLQIEISA-N 332.410 1.947 0 40 EDAB Cc1ccc2nc(C)cc(C(=O)N3CCN(C[C@H](C)O)CC3)c2c1 71871163 ZVGCBSKPZPNPDE-HNNXBMFYSA-N 327.428 1.990 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCc2ccccc2C1 14049087 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1.919 0 40 EDAB O=C(NCCc1n[nH]c(=S)n1C1CC1)c1ccc2[nH]nnc2c1 67079033 WFWXZOPLMFXZTR-UHFFFAOYSA-N 329.389 1.519 0 40 EDAB C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 67132189 ZQMHAXFTODDNGQ-GFCCVEGCSA-N 345.403 1.969 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)CO[C@@H]3CCC[C@H](C)C3)CCO2)n1 83829893 AYALIUUPPBHRNW-MJBXVCDLSA-N 336.436 1.862 0 40 EDAB COCc1ccc(CN2CCN(c3ccnc(N(C)C)n3)CC2)o1 93562674 BBKVKOHJCCNVSK-UHFFFAOYSA-N 331.420 1.604 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CCCN1C(=O)OCC(F)(F)F 68643807 QQQNJCWYNMZHAS-NSHDSACASA-N 331.294 1.861 0 40 EDAB CC[C@H](CNC(=O)C1CCN(c2ncccn2)CC1)N1CCCC1 69368159 PMEHBADERHNFAQ-MRXNPFEDSA-N 331.464 1.684 0 40 EDAB COC(=O)[C@H](c1ccc(F)cc1)N1CCN(Cc2nc(C)no2)CC1 69380811 PFGDPHNEADPBHC-INIZCTEOSA-N 348.378 1.549 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)o1 69510725 OLQKBBLUHZAFDB-AWEZNQCLSA-N 330.388 1.898 0 40 EDAB Cn1nc(C(C)(C)C)cc1C(=O)NCCC(=O)Nc1ccncc1 69558957 URPATCYCEWYROI-UHFFFAOYSA-N 329.404 1.871 0 40 EDAB C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)N[C@@H]1CCOc2ccccc21 69571645 AOSKQSQGUWJLJF-GZBFAFLISA-N 341.415 1.211 0 40 EDAB CCCc1cc(NC(=O)c2ccc3c(=O)n(CC)c(=O)[nH]c3c2)n[nH]1 69624404 IBQPGJVIFMCERV-UHFFFAOYSA-N 341.371 1.638 0 40 EDAB C[C@@H](OC(=O)c1ccc(CSc2ncn[nH]2)cc1)C(=O)NC1CC1 69707229 JYTQCULHVWMYTB-SNVBAGLBSA-N 346.412 1.921 0 40 EDAB CNC(=O)COC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 69738558 BONISMXIDXNWDQ-UHFFFAOYSA-N 344.705 1.761 0 40 EDAB O=S(=O)(CC1CCOCC1)NCc1ccc(Cn2cccn2)cc1 96427676 WSWTVFLKHJHQBA-UHFFFAOYSA-N 349.456 1.777 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CCc3ccccn3)CC2)C1 69876676 HPWRMENOHCSVIE-MJGOQNOKSA-N 344.503 1.937 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(CCC(=O)NC2CCCC2)CC1 69899620 XMHPZPHOYBYZHQ-MRXNPFEDSA-N 325.497 1.460 0 40 EDAB O=C(CN(CCCO)C1CC1)Nc1ccccc1N1CCCC1=O 69951831 CYUVXZPSZJFVFY-UHFFFAOYSA-N 331.416 1.599 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cccc(C(N)=O)c2)c1 69948541 UEGHEGMKSANALG-INIZCTEOSA-N 326.400 1.985 0 40 EDAB Cc1cccc(OCC(=O)N2CCN(Cc3cnnn3C)CC2)c1C 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COC[C@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1cccc(F)c1)C2 96219862 YMVVMNZUVFVNQB-CZUORRHYSA-N 342.436 1.415 0 40 EDAB O=C(c1ccncn1)N1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96206453 ROCQQCJQMJTVEB-YJBOKZPZSA-N 340.383 1.462 0 40 EDAB COCCN1[C@H](C)CN(Cc2ccc(-n3cncn3)cc2)C[C@H]1C 93479217 VTQNRRFXTMKLPM-HZPDHXFCSA-N 329.448 1.808 0 40 EDAB Cn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)C1CCOCC1)C2 96060128 HKQOUBHXQJUDPR-MRXNPFEDSA-N 333.432 1.699 0 40 EDAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccccc1)C1CCOCC1 579504318 URACKEKFPLQOHO-OAHLLOKOSA-N 335.429 1.866 0 40 EDAB O=C(CN1CCOC1=O)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618255161 MWIQGZXYGVWVHM-LBPRGKRZSA-N 342.355 1.062 0 40 EDAB Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2cccs2)cn1 96200951 WKRWNNSKYUFLBM-MSOLQXFVSA-N 346.500 1.999 0 40 EDAB Cn1cccc1C(=O)N1CC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 96072944 AIISEGZJWAYOAJ-DYVFJYSZSA-N 327.388 1.301 0 40 EDAB CS[C@@H]1CC[C@@H](NC(=O)NCCN2CCC(N(C)C)CC2)C1 96452379 JHPFRALIVFSIKM-UKRRQHHQSA-N 328.526 1.596 0 40 EDAB O=S(=O)(C1CC1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 96188046 AHAOHJHFCRBSPO-CYBMUJFWSA-N 348.428 1.281 0 40 EDAB Cc1ccc(C(=O)N2CCCn3nnc(Cn4ccnc4)c3C2)cc1 96259527 DKMIPEVQQQOWFQ-UHFFFAOYSA-N 336.399 1.877 0 40 EDAB Cn1ccnc1C(=O)N[C@@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12 96185927 YDNSLEOAWUZHPI-RBSFLKMASA-N 346.456 1.643 0 40 EDAB Cn1nc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)ccc1=O 96431481 OKEXBZWUXKAXPF-UHFFFAOYSA-N 341.346 1.078 0 40 EDAB CCS(=O)(=O)N(C)CC(=O)NCc1ccc(Br)cc1 96454209 NCKASGPJNJNFPE-UHFFFAOYSA-N 349.250 1.347 0 40 EDAB COCc1ncn2c1CN(S(=O)(=O)c1cccc(OC)c1)CC2 96260133 FZGVTGWJAXLXSA-UHFFFAOYSA-N 337.401 1.243 0 40 EDAB CCCCNC(=O)CN(c1ccccc1OCC)S(C)(=O)=O 243572322 OOZKMZFYANVYPE-UHFFFAOYSA-N 328.434 1.768 0 40 EDAB Cc1ncsc1CN1Cc2cncn2[C@@H](COCC(=O)N(C)C)C1 248001820 NVZXLBDVKSFFOF-CQSZACIVSA-N 349.460 1.310 0 40 EDAB Cc1cc(CN2CC3(CC[C@@H](CNC(=O)C4CCC4)CO3)C2)no1 247892845 GHXAVXQBJBZASR-AWEZNQCLSA-N 333.432 1.880 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257208648 BMZPQYYADFQIAZ-AWEZNQCLSA-N 349.460 1.533 0 40 EDAB O=C(CCN1C(=O)CCCC1=O)OC[C@@H]1CCCN2CCCC[C@H]12 253488461 AUPZDFOUVOMPGK-LSDHHAIUSA-N 336.432 1.723 0 40 EDAB Cc1cn(C)c([C@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)n1 257271627 MZCCZPZZUMLJCR-MRXNPFEDSA-N 345.399 1.765 0 40 EDAB CO[C@@]1(C(=O)N=c2nc(-c3cccnc3Cl)[nH]s2)CCOC1 585130241 LBCPFPXXEXWAGO-ZDUSSCGKSA-N 340.792 1.419 0 40 EDAB CC(C)COCCCNC(=O)Nc1ccc(F)c(S(N)(=O)=O)c1 585135595 RWTPGLPYNYHCFQ-UHFFFAOYSA-N 347.412 1.657 0 40 EDAB COc1cc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)on1 585130821 CSJLMTCTDHBDJE-CQSZACIVSA-N 330.388 1.607 0 40 EDAB O=C(CCCn1cccn1)N1CCOC[C@H]1CCc1cnccn1 257315432 VBIQGAUDYBGGOU-MRXNPFEDSA-N 329.404 1.314 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccsc3)C2)ncn1 257289515 PYYVQVIQMNPWHO-QGZVFWFLSA-N 346.456 1.950 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3ccc(O)nc3=O)CC2)s1 257295638 QZGILLAALDVIJF-RYUDHWBXSA-N 349.412 1.157 0 40 EDAB CN(C)C(=O)CCc1cccc([C@H]2CCCN(C(=O)C(C)(C)N)C2)n1 257333344 YBFRHHKWGZQJQD-AWEZNQCLSA-N 346.475 1.546 0 40 EDAB CNC(=O)CN1CCC[C@H](c2nccnc2Nc2ncccc2C)C1 257290865 QEQJTMKODGTBSZ-AWEZNQCLSA-N 340.431 1.849 0 40 EDAB CN(Cc1ncc(Cl)n1C)C(=O)c1cn([C@@H]2CCCNC2)cn1 585655560 YZWIRJQMXKJKFA-LLVKDONJSA-N 336.827 1.467 0 40 EDAB CCc1noc(C)c1C(=O)N1CCO[C@@H](c2cc(O)nc(C)n2)C1 257214691 CNBOFLYULWONMZ-CYBMUJFWSA-N 332.360 1.563 0 40 EDAB O=C(c1n[nH]c2c1CCCC2)N1CCOC[C@H](Cc2ccncn2)C1 257293590 QQHJDIUCSUDUIS-CYBMUJFWSA-N 341.415 1.410 0 40 EDAB O=C(O)c1ccc(OCCNC(=O)c2cccc3c2OCO3)cc1 540785251 ZUSFBRNWHBQUAH-UHFFFAOYSA-N 329.308 1.922 0 40 EDAB O=C(Cc1cccc(O)c1)N1CCC[C@](O)(CN2CCCC2)CC1 257262750 LMROTAFDMQTIPH-LJQANCHMSA-N 332.444 1.774 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)CCc3cc(Cl)no3)CCO2)n1 257235249 GXAZIZOQXIOMDK-GFCCVEGCSA-N 338.795 1.903 0 40 EDAB CCN1CCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CC1=O 541665475 AUCQRKHMLZTZHF-UHFFFAOYSA-N 345.447 1.175 0 40 EDAB CC(C)N1CCN(C(=O)CCCN(C)c2ccccc2)C[C@H]1C(N)=O 257306548 SURXCIXSZPEAGK-KRWDZBQOSA-N 346.475 1.310 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCCc2ccccc2C1 592818653 GRENIVRHUWNRFA-WMLDXEAASA-N 329.444 1.547 0 40 EDAB O=C(NCc1ncc(Br)cn1)N1CCn2cncc2C1 1615573088 SIUMHPVBMHTOLL-UHFFFAOYSA-N 337.181 1.161 0 40 EDAB C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CN1CCC[C@@H](C(F)(F)F)C1=O 1615586524 OIAPELPWUVKXHY-JHJVBQTASA-N 349.397 1.586 0 40 EDAB O=C(CCN1CCN(c2cccc(Cl)c2)CC1)NCCCCO 1616039260 RZXILIIWJKTRBF-UHFFFAOYSA-N 339.867 1.741 0 40 EDAB CC(C)(C)OC(=O)N1C[C@]23CNC[C@@]2(C1)CN(C(=O)C(F)(F)F)C3 601012372 CGJLPTLVWVGQSA-OKILXGFUSA-N 349.353 1.218 0 40 EDAB C[C@]1(NCCNC(=S)Nc2ccccc2)CCS(=O)(=O)C1 575423153 YMPJFDURSBYXJW-AWEZNQCLSA-N 327.475 1.140 0 40 EDAB Cc1ccccc1OC[C@]1(O)COCCN(CC2(O)CCCC2)C1 585287353 NEOAIQWAKGDKPO-LJQANCHMSA-N 335.444 1.742 0 40 EDAB CC(=O)N1CCN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)C[C@@H](CO)C1 585282587 HNBBVCDHGXQODP-LMMKCTJWSA-N 340.508 1.726 0 40 EDAB CN(C)CCC(=O)N1Cc2ccnn2[C@H](COc2ccccn2)C1 585095436 XXGVASFXYAJHFV-HNNXBMFYSA-N 329.404 1.192 0 40 EDAB O=S1(=O)CCN(Cc2ccc(-c3cnc4cncn4c3)cc2)CC1 585099454 JQCVHEGLCVOJSI-UHFFFAOYSA-N 342.424 1.627 0 40 EDAB CC[C@H](C)CN1C[C@@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@H]2C1 585106071 IXPURHDGDRMORQ-JYJNAYRXSA-N 343.475 1.540 0 40 EDAB COc1ccc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1F 54994029 YIWTZLFODZNUSF-OAHLLOKOSA-N 336.407 1.905 0 40 EDAB Cc1cccc2nc(CN3CC[C@]4(C3)NC(=O)N(C(C)C)C4=O)cn12 89689073 YQJPRDMLCRFTQG-GOSISDBHSA-N 341.415 1.547 0 40 EDAB O=C(NC1CCCC1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96124154 KOQBRXYHMSQYFV-UHFFFAOYSA-N 341.419 1.333 0 40 EDAB Cc1cc(CNC(=O)COc2ncccn2)nc(N2CCCCC2)n1 96121103 HOFXXVIJXROZDF-UHFFFAOYSA-N 342.403 1.261 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)O)cc1C 548203590 SPPYFIFACKAPAD-GXTWGEPZSA-N 327.402 1.462 0 40 EDAB COC(=O)c1ccccc1C(=O)N1CC[C@@H](Oc2ccc(C)nn2)C1 220313640 MDBIVQWNFNIOBO-CYBMUJFWSA-N 341.367 1.865 0 40 EDAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(C2COC2)CC1 1615156446 WFNJYOVAMIHBQR-UHFFFAOYSA-N 346.456 1.971 0 40 EDAB COc1c(Br)ccnc1NCCCn1cc(CO)nn1 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341.394 1.910 0 40 EDAB Cc1nc2ccccn2c1C(=O)N1C[C@@H]2CN(c3cnccn3)C[C@H]2C1 1888897905 LVAKPZUIFACGFH-GJZGRUSLSA-N 348.410 1.641 0 40 EDAB Fc1ccccc1N1CCN(c2cc(-n3cncn3)ncn2)CC1 1888901001 BKMFFLVHPAIMDH-UHFFFAOYSA-N 325.351 1.523 0 40 EDAB Cn1c(N2CCN(C(=O)c3ccccc3)CC2)nc2ccccc2c1=O 1888928932 JPVXAGMEBXVQMD-UHFFFAOYSA-N 348.406 1.896 0 40 EDAB CC(C)c1nnc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)s1 1889108862 VDROIIRTZWYJAU-SNVBAGLBSA-N 330.479 1.712 0 40 EDAB CC(C)(C(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccccc1 32243131 QAAOCKVSZODUOC-UHFFFAOYSA-N 329.444 1.387 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)NCCn1ccc2ccoc2c1=O 238892638 QTQRVLILUYUCOX-UHFFFAOYSA-N 328.372 1.683 0 40 EDAB CCn1ccc(C(=O)N=c2sc3cc4c(cc3n2C)OCO4)n1 245053571 PAKUSQAECRIFON-UHFFFAOYSA-N 330.369 1.926 0 40 EDAB CC(C)OCCCNS(=O)(=O)CCNC(=O)c1ccccc1 4940895 KTXGJYSEZOABKQ-UHFFFAOYSA-N 328.434 1.151 0 40 EDAB CC1CCN(C(=O)c2ncn3c2CC[C@H](C(=O)N2CCCC2)C3)CC1 2055713583 KMLQZLXTYVBZIU-HNNXBMFYSA-N 344.459 1.940 0 40 EDAB CN(CC(=O)N1CCS[C@@H](c2ccccc2)CC1)S(C)(=O)=O 206987448 HYASLNSBDJKKJG-CQSZACIVSA-N 342.486 1.585 0 40 EDAB C[C@@H](C(=O)N[C@H]1CCSC1=O)n1nc(-c2ccccc2)ccc1=O 44395717 GAJUACOCXOTSLC-FZMZJTMJSA-N 343.408 1.620 0 40 EDAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CC(CN2C(=O)CCC2=O)C1 585148944 QTTIHGHWYIKTEI-UHFFFAOYSA-N 338.367 1.298 0 40 EDAB CN(c1cnc2ccccc2n1)C1CN(c2ccc3nncn3n2)C1 585592524 HGTMWRKXQODMHY-UHFFFAOYSA-N 332.371 1.393 0 40 EDAB COCCC(=O)N1CC[C@@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 19593070 BBMDEFWHBLLHTC-CYBMUJFWSA-N 342.399 1.522 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)NCCCn3cccn3)ccc21 30169794 XDFYDWYYVMXSPA-UHFFFAOYSA-N 339.399 1.741 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(C(N)=O)c2)cc1 30357652 KNRRUVJQXZEWDW-UHFFFAOYSA-N 334.353 1.512 0 40 EDAB CN(Cc1ccc(C(=O)NC2CC2)cc1)c1ncnc2c1cnn2C 30861406 LEMKLBQOTDJCNL-UHFFFAOYSA-N 336.399 1.892 0 40 EDAB CCC(=O)OCCc1c(C)[nH]c2nc(-c3ccccc3)nn2c1=O 100650728 WNDBRDJGPZWCHU-UHFFFAOYSA-N 326.356 1.889 0 40 EDAB COc1ccc(OC)c(NC(=O)[C@H](CC(=O)O)NCc2ccco2)c1 236794 PEFJSHQZELBDGG-AWEZNQCLSA-N 348.355 1.868 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)Nc1cccc(Cl)c1OC 51643203 IXSZZABNIIGTBG-UHFFFAOYSA-N 349.840 1.800 0 40 EDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCc1cccc(Cl)c1 102274980 VUANDMJIBGOEFB-ZIAGYGMSSA-N 332.787 1.907 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc(Br)s2)C1 41128812 BXVCJTILXAQYIP-BYDTYLDUSA-N 329.219 1.858 0 40 EDAB C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)NC1CC1 8735895 PTBIZRWSOJUWGA-BTDLBPIBSA-N 346.408 1.826 0 40 EDAB O=C(NC(=S)N1CCOCC1)c1ccc(Br)cc1 324641 YRAIXCRIIRBOMD-UHFFFAOYSA-N 329.219 1.796 0 40 EDAB Cn1ccnc1[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccccc1F 29999150 GXVBGJWYSIWYJY-OAHLLOKOSA-N 341.346 1.172 0 40 EDAB CCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 17636060 VZMKNWPPKSWVIB-CYBMUJFWSA-N 339.413 1.352 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)/C=C(\C)c1cccc(F)c1 96456671 HGCZEYVQGSQXSP-RZXPCSSPSA-N 347.390 1.082 0 40 EDAB COCc1nc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cs1 76056736 BKOACQSINAOTJO-WCQYABFASA-N 325.434 1.082 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1nc(-c3ccco3)no1)CC2 76064432 CEHFOKAFWCNVIH-UHFFFAOYSA-N 327.344 1.465 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)c2c(C)nn(C)c2C)cc1F 32909977 KBXUCSYGLYMWHO-UHFFFAOYSA-N 332.379 1.644 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)CC2)C1(CC)CC 78346744 FBEQXRCASCDZFB-CHWSQXEVSA-N 332.466 1.410 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)c2ccc(C(N)=O)cn2)C1 78771345 WBGLGBVBMLGZEV-ZDUSSCGKSA-N 327.388 1.417 0 40 EDAB CC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F 78875430 IRSSBHYSENAPBM-NSHDSACASA-N 344.408 1.831 0 40 EDAB CCc1nn(CC(=O)NCCOC)c(=O)c2cc3sc(C)cc3n12 6749426 MOHGBEYDCDGVSP-UHFFFAOYSA-N 348.428 1.344 0 40 EDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCc1ccccn1 22467525 VQOZDZNLTSPMKW-HUUCEWRRSA-N 329.400 1.306 0 40 EDAB COCCn1c(S[C@H]2CCCCNC2=O)nnc1-c1ccncc1 22611651 STLYWEAPMGOHFE-ZDUSSCGKSA-N 347.444 1.747 0 40 EDAB O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 22872934 LYEHMQRHEDOURC-QGZVFWFLSA-N 346.452 1.866 0 40 EDAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(N)=O 10314602 GYCCWLIELCOVBT-UHFFFAOYSA-N 347.396 1.718 0 40 EDAB COC(=O)CCCN(C)C(=O)c1nnn(-c2cccc(C)c2)c1C 54204395 PMOJPBMQABDJBV-UHFFFAOYSA-N 330.388 1.909 0 40 EDAB CCN1CCN(C(=O)C23C[C@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CC1 102833678 OIUOVNLVTAJWKV-FDCMFXBMSA-N 343.475 1.738 0 40 EDAB COC(=O)c1ccoc1COC(=O)c1nn(C)c(=O)c2ccccc12 23390418 RDRSCSYPRPMYGN-UHFFFAOYSA-N 342.307 1.670 0 40 EDAB Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)on1 23742945 WNPFWUITWXCUPS-HNNXBMFYSA-N 333.363 1.925 0 40 EDAB CC1CCN(CCNC(=O)C2CCN(C(=O)NC(C)C)CC2)CC1 54779991 KAGZDGCWVDQYBM-UHFFFAOYSA-N 338.496 1.665 0 40 EDAB C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 9232622 OVBHNCHCRPKXBB-ZDUSSCGKSA-N 340.379 1.951 0 40 EDAB COc1ccc(OC)c(CCNC(=O)N[C@@H](C)Cn2ccnc2)c1 54760076 QCSXPDFKEVHIDW-ZDUSSCGKSA-N 332.404 1.831 0 40 EDAB CNC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 22616512 JISAMGMXCGOQGF-OAHLLOKOSA-N 340.383 1.264 0 40 EDAB COc1ccccc1COC[C@@H](O)CN1C(=O)CC2(CCCC2)C1=O 24101832 LOUDJHZLPRFPMI-HNNXBMFYSA-N 347.411 1.892 0 40 EDAB Cc1csc(=O)n1CCC(=O)NC[C@@H]1COc2ccccc2O1 24836937 HJNNTHNCRNLGFL-GFCCVEGCSA-N 334.397 1.565 0 40 EDAB CN(C[C@@H]1CN(CCC(=O)N2CCCCC2)CCO1)c1cccnn1 83859249 KLFOYEPUQKRZMW-MRXNPFEDSA-N 347.463 1.016 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)NCCN2CCCC[C@@H]2C)C1 106645998 RRUPJZXBPZHAFW-KBPBESRZSA-N 326.441 1.391 0 40 EDAB c1ccc(-n2nnnc2CNC[C@H]2CCCN2c2cccnn2)cc1 69810612 NFYJGWZBTUGRKJ-OAHLLOKOSA-N 336.403 1.211 0 40 EDAB Cc1nnc(N2CCN(C(=O)C[C@H]3C=CCC3)CC2)c(C(N)=O)c1C 69847237 IFBABVCOMZZPNO-AWEZNQCLSA-N 343.431 1.197 0 40 EDAB CO[C@H](C)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)C)C2)c1 69809003 CERWDNCRGPGFMJ-CZUORRHYSA-N 333.432 1.931 0 40 EDAB Cc1cc2ncc(C(=O)Nc3cccc(OCC(N)=O)c3)c(C)n2n1 25518680 GGQXCKDIBQJLSX-UHFFFAOYSA-N 339.355 1.463 0 40 EDAB CC(C)(CNS(=O)(=O)c1ccc2c(c1)CCC2)N1CCOCC1 25665311 NMTNFVPTBWZMSZ-UHFFFAOYSA-N 338.473 1.564 0 40 EDAB O=C(CNC(=O)NC1CCCCC1)NCCNC(=O)c1ccccc1 56401671 FIOLJTRTUVKHGB-UHFFFAOYSA-N 346.431 1.165 0 40 EDAB Cc1csc(=O)n1CC(=O)Nc1ccc(N2CCCC2=O)cc1 12622461 SWKXFYWRGXYVEQ-UHFFFAOYSA-N 331.397 1.984 0 40 EDAB CC(C)c1nccn1[C@H]1CCCN(C(=O)[C@H](C)N2CCOCC2)C1 69877843 IRDHVTSPERYJQC-HOTGVXAUSA-N 334.464 1.891 0 40 EDAB NC(=O)[C@H]1CN(CC(=O)NCC2(c3ccccc3)CC2)c2ccccc21 69811296 MEXWUOFXPFBAIR-KRWDZBQOSA-N 349.434 1.924 0 40 EDAB O=C1C[C@@H](C(=O)NCCNc2cnccn2)c2ccc(F)cc2N1 48252861 JYTLIHBNHMXQFQ-GFCCVEGCSA-N 329.335 1.270 0 40 EDAB O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NC[C@@H]1CCCO1 44715947 CAMBKHAPKVCBFY-AWEZNQCLSA-N 341.411 1.959 0 40 EDAB Cc1n[nH]c(C)c1CNCc1ccc(N2CCC(CO)CC2)nc1 97160045 ZGRAXCGAWCZDOB-UHFFFAOYSA-N 329.448 1.920 0 40 EDAB CC[C@@H](CO)NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 97103270 HPFRKYXWVVFTNB-LBPRGKRZSA-N 333.413 1.825 0 40 EDAB Cc1cc(NC(=O)N(C)C[C@@H](O)COCc2ccccc2)n(C)n1 58158295 GHWDUSYDYYXREE-OAHLLOKOSA-N 332.404 1.770 0 40 EDAB O=C(COC(=O)Cn1cnc2ccccc21)NCCc1ccccc1 3306472 VOQUSZKGVOTCQG-UHFFFAOYSA-N 337.379 1.938 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCCN2CCCC[C@H]2C)c1 44937456 BZDFJECFSFALOC-CYBMUJFWSA-N 342.461 1.857 0 40 EDAB CN1CCN(c2cc(CNC(=O)Nc3cccnc3)ccn2)CC1 44968604 FPOFBQWSKVWFDW-UHFFFAOYSA-N 326.404 1.550 0 40 EDAB O=C(CSc1ccc2nncn2n1)Nc1ccc2c(c1)OCO2 44900473 BMHHLNLKXSYIJE-UHFFFAOYSA-N 329.341 1.584 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 44969736 MTISPONLMDBQGU-ZIAGYGMSSA-N 329.408 1.030 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN(C(C)C)C2)cc1 58357386 PYVWSLHRKCKDCQ-ZDUSSCGKSA-N 339.461 1.055 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@@H](C)n3cccn3)CC2)cc1F 45054119 NJHZWRGYFHBYTE-CQSZACIVSA-N 346.406 1.936 0 40 EDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c12 27984845 PIYGKWASIIUQGY-LLVKDONJSA-N 348.428 1.071 0 40 EDAB O=C(CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2)N1CCC1 58407210 ZJAVPPYQEOCWBB-UHFFFAOYSA-N 345.804 1.258 0 40 EDAB COc1cc(CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)ccn1 69921475 CEVFMRZABQLMRW-MRXNPFEDSA-N 348.447 1.344 0 40 EDAB O=C(Nc1nnc([C@@H]2CCCO2)s1)C1(n2cnnn2)CCCCC1 36353962 WLAIQZPZASCQEL-JTQLQIEISA-N 349.420 1.674 0 40 EDAB C[C@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)C[C@H]1CCCO1 45359798 DTDIYYACNAABKY-BXUZGUMPSA-N 329.393 1.424 0 40 EDAB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 48300701 XRCMPNBECMCYFD-NQBHXWOUSA-N 337.372 1.438 0 40 EDAB C[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 8752957 SPVVRVJLSRTXNM-CQSZACIVSA-N 338.477 1.254 0 40 EDAB CCc1ccccc1NC(=O)Cc1nnc(SCC(N)=O)n1CC 8785469 IKOPAUDYXKSOOI-UHFFFAOYSA-N 347.444 1.619 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1C(=O)O 13027868 LLZABLYJAAZNGJ-JTQLQIEISA-N 348.218 1.995 0 40 EDAB CN(CC(N)=O)Cc1nc(-c2cc(Br)cs2)no1 48872019 VNFYIEGQTIGFEG-UHFFFAOYSA-N 331.195 1.478 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4cccn4C)[C@H]3C2)no1 306127298 FUOFZDQSFRBYAD-YSVLISHTSA-N 344.415 1.198 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CC[C@@H](CNc2ccccn2)C1 65473336 XTOZTDQDNSNXSA-HNNXBMFYSA-N 342.447 1.804 0 40 EDAB COCCN1CC[C@H](CNC(=O)C2=NO[C@H](c3ccccc3)C2)C1 65625855 RUZPIZXJZBMDFN-PBHICJAKSA-N 331.416 1.589 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)NCc1ccc2c(c1)OCO2 6948105 SYEQOULDLLMPGE-UHFFFAOYSA-N 326.308 1.640 0 40 EDAB biogenic Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCOCC[C@@H]1C 96010038 DSDHXPZWHRPATN-LBPRGKRZSA-N 329.466 1.955 0 40 EDAB CCCN(C(=O)CN1CCO[C@H](Cn2cncn2)C1)C1=CCCCC1 71876526 LDWIBLKKOFXOAT-KRWDZBQOSA-N 347.463 1.675 0 40 EDAB O=C(NCc1ccc2c(c1)CCO2)[C@@H]1CC(=O)N(c2nccs2)C1 80911143 UYJURZOLRHLRPI-CYBMUJFWSA-N 343.408 1.747 0 40 EDAB Cc1cc(C)n(CCCNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1 81469683 AYFVTPBJIKDBIL-ZDUSSCGKSA-N 334.342 1.599 0 40 EDAB COc1cc(C(=O)Nc2ccn(CCC(N)=O)n2)ccc1OC(C)C 70017934 NYWCODQODJLNFF-UHFFFAOYSA-N 346.387 1.807 0 40 EDAB Cc1ccc(N2CCCC2=O)c(C(=O)NC[C@@H](O)C(F)(F)F)c1 81804510 WYFVRLARSQUWNV-GFCCVEGCSA-N 330.306 1.775 0 40 EDAB FC(F)(F)Cn1ccnc1CN1CCO[C@H](Cn2cccn2)C1 69392325 JLGTWPOSLLOAPU-LBPRGKRZSA-N 329.326 1.543 0 40 EDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(CCN2CCCC2=O)CC1 69386915 SHAWERCMRATZCX-ZDUSSCGKSA-N 333.436 1.248 0 40 EDAB CCOC(=O)C1=C(COC(=O)Cc2cccs2)NC(=O)N[C@@H]1C 8389055 TVNLFCSXEZWIAT-SECBINFHSA-N 338.385 1.352 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1n[nH]c2ccccc12 69419781 VUYPETZWBMZPON-OAHLLOKOSA-N 343.431 1.235 0 40 EDAB COC(=O)CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 8429722 YEXQAVFLJARKCN-UHFFFAOYSA-N 337.335 1.289 0 40 EDAB Cc1ccc2c(c1)nc(CCNC(=O)c1cccc(C(N)=O)c1)n2C 69588407 NFEUNHXKWRXOAW-UHFFFAOYSA-N 336.395 1.953 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2c(F)cccc2F)C1 96461538 DDWAHOHHFAKOLB-LLVKDONJSA-N 346.399 1.295 0 40 EDAB COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(Cl)cc1 69666821 ZPOMIFJZMFVJRS-UHFFFAOYSA-N 340.807 1.287 0 40 EDAB Cc1ccc([C@H](NC(=O)CN2CCN(C[C@H](C)O)CC2)C2CC2)cc1 69627727 JGXRJWDDROMKIS-JXFKEZNVSA-N 345.487 1.561 0 40 EDAB COC(=O)c1c(C)ccc(F)c1NC(=O)[C@H]1CC(=O)N(C2CC2)C1 69654573 IEEOYMFPYSHGGB-JTQLQIEISA-N 334.347 1.870 0 40 EDAB O=C(NCCCN1CCCCCC1=O)N[C@@H]1c2ccccc2C[C@@H]1O 72026561 OOJAMMQAZLRZSL-FUHWJXTLSA-N 345.443 1.737 0 40 EDAB C[C@@H](NC(=O)C1=CCCC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 97227974 KPRFTZOITHGZLM-LLVKDONJSA-N 325.372 1.654 0 40 EDAB Cc1cc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)cc2sc(N)nc12 72127245 LQNWVBDEZJVZDY-MRXNPFEDSA-N 346.412 1.854 0 40 EDAB Cc1cc(C(=O)N(C)CC(C)(CO)CO)nn1-c1ccc(F)cc1 97079725 LGHDNEKJBMPHRU-UHFFFAOYSA-N 335.379 1.383 0 40 EDAB CN(CCOc1ccccc1)c1cc(N2CCC[C@@H]2CO)ncn1 72275988 XBQGOHAGWOBHOU-OAHLLOKOSA-N 328.416 1.953 0 40 EDAB CC(C)c1nc([C@@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)no1 72232154 YDUGLVYJNUGBCV-CYBMUJFWSA-N 330.388 1.912 0 40 EDAB CCOC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 95454936 UAMKJYXYKBHTHY-GFCCVEGCSA-N 348.359 1.206 0 40 EDAB O=C(NCc1cccc(CNC(=O)c2ccon2)c1)c1ccon1 95450650 GICBUKVRBYFCNC-UHFFFAOYSA-N 326.312 1.523 0 40 EDAB C[C@H]1CN=C(N2CCN(CC[S@@](=O)c3ccccc3)CC2)S1 95408955 RYYTYWDQQGTIEI-FPTDNZKUSA-N 337.514 1.903 0 40 EDAB Cc1[nH]ccc1C(=O)N1CCN([C@H](C)C(=O)N2CCCCCC2)CC1 95408476 JNCDGMHLMPFMJT-MRXNPFEDSA-N 346.475 1.872 0 40 EDAB C[C@@](O)(CNC(=O)Nc1ccnn1Cc1ccccn1)c1ccco1 95977143 MWNBDCDGWTVRIG-QGZVFWFLSA-N 341.371 1.949 0 40 EDAB CNc1snc(C)c1C(=O)N1CCC(CN2CCOCC2)CC1 95952995 WESRHWCRONEZNY-UHFFFAOYSA-N 338.477 1.678 0 40 EDAB CCn1c(C)nnc1CN(C)[C@@H]1CCN(Cc2c(C)noc2C)C1 89300527 MEXVGCSNANEKIE-OAHLLOKOSA-N 332.452 1.918 0 40 EDAB COCCN1CCC(CNC(=O)c2ccc3c(c2)OCCO3)CC1 89414435 MZAUTUIUPNALJD-UHFFFAOYSA-N 334.416 1.546 0 40 EDAB CNC(=O)c1cccc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1 89796665 KWYOBOOGCIGSKH-UHFFFAOYSA-N 337.339 1.274 0 40 EDAB CCc1nsc(N2CCCN(C(=O)Cn3cc(C)cn3)CC2)n1 75391451 NFYSYXWFWVNDEO-UHFFFAOYSA-N 334.449 1.344 0 40 EDAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)C2CCC2)n(C)c1 89969030 YXHXDYSMDQTNEV-GFCCVEGCSA-N 341.477 1.974 0 40 EDAB C[C@@](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)(C(=O)O)c1ccccc1 89905427 VVELQPHPXNERJX-UGSOOPFHSA-N 330.384 1.361 0 40 EDAB NC(=O)CCCNC(=O)CCOc1cccc(Br)c1 42927954 VHWOHTIAWRDKPM-UHFFFAOYSA-N 329.194 1.600 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCO)cc1C(=O)N1CCCCC1 408618351 FUAIWHYKCFIJLC-UHFFFAOYSA-N 340.445 1.282 0 40 EDAB COc1ccc(OC)c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409375954 RIORPRRFYXXRIS-VMUDFCTBSA-N 333.340 1.687 0 40 EDAB CCOC(=O)c1csc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 71282313 QESIXTIHNFZLJE-VIFPVBQESA-N 339.417 1.905 0 40 EDAB CCc1nc(NCCCN2CCOCC2)c2c(n1)c(C)nn2CC 72237832 HIRKUGYJFVKTTM-UHFFFAOYSA-N 332.452 1.851 0 40 EDAB C[C@]1(C(=O)N2CCOCC2)CN(Cc2ccc3cc[nH]c3c2)CCO1 72379925 JQGCQRLGFVXGGS-LJQANCHMSA-N 343.427 1.618 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)c(F)c2)C1 78602849 TUYKPWXXZJZQLB-AWEZNQCLSA-N 337.395 1.300 0 40 EDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 72242260 MFIQWWCBAKKFJW-RDJZCZTQSA-N 335.423 1.803 0 40 EDAB COc1cccc(C[C@]2(c3cccc(OC)c3)NC(N)=NC2=O)c1 71975326 BZMVYKXCNRTJIV-GOSISDBHSA-N 325.368 1.586 0 40 EDAB Cc1cnn(CCCNC(=O)N[C@H](C)C(=O)Nc2ccccc2)c1 78988774 BYKYKCOCYQUDJM-CQSZACIVSA-N 329.404 1.908 0 40 EDAB COc1ccc(-c2nnn3c2[nH]c(=O)c2ccc(C(=O)O)cc23)cc1 45918710 DWADNYJELMZUBF-UHFFFAOYSA-N 336.307 1.945 0 40 EDAB C[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)[C@@H]1C[C@H]2CC[C@H]1C2 225427098 AZWICPUYWQDOJM-ABHRYQDASA-N 349.456 1.425 0 40 EDAB O=C(Cn1cccn1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225732868 RDHWDLQBENFWLI-LBPRGKRZSA-N 340.305 1.977 0 40 EDAB CCN1CCC[C@H]1CNC(=O)CCc1nnc(-c2ccn(C)n2)o1 41070385 VYZLAJXTKBMICW-LBPRGKRZSA-N 332.408 1.003 0 40 EDAB O=C(N[C@H]1CCCc2c(O)cccc21)[C@@H]1COCCN1CC(F)F 190326686 JSMJASMYZRGQPD-KBPBESRZSA-N 340.370 1.852 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)Nc2ccc(-n3nn[nH]c3=O)cc2)c1 195505511 CRNPEVUDCVGANT-UHFFFAOYSA-N 349.347 1.204 0 40 EDAB O=C(NCCCO)C(=O)Nc1ccc(OCc2ccccc2)cc1 48602075 YROPOTGCAZVFMA-UHFFFAOYSA-N 328.368 1.703 0 40 EDAB CN(C(=O)CNc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 11124348 VWHFFXUVZNIYDY-MRXNPFEDSA-N 332.425 1.897 0 40 EDAB CN(C)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCS2)cc1 195356546 LVOCLSUVPDJFSS-LBPRGKRZSA-N 328.459 1.562 0 40 EDAB COc1ccc(CSCc2ccc(S(=O)(=O)N(C)C)o2)nn1 225748394 LYNMIWDYJPDHNH-UHFFFAOYSA-N 343.430 1.762 0 40 EDAB Cc1ccc(C(=O)N2CCn3c(Cn4cncn4)cnc3[C@H]2C)o1 96062111 MLVUPCGBZKSVDY-GFCCVEGCSA-N 326.360 1.641 0 40 EDAB CN(C)CC(=O)N1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 96040453 YAJHLQMHOGHZPV-MAUKXSAKSA-N 333.432 1.420 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)CN(C)C(C)=O)cc1 583616037 DTMHADOYNPHDBB-WMZOPIPTSA-N 334.416 1.372 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1C 583621324 PKBBCWWWUMMNPU-LSDHHAIUSA-N 345.374 1.484 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ccnn2C)cc1 583616108 LHJDOTXCBHQSNL-WMZOPIPTSA-N 329.400 1.941 0 40 EDAB c1ccc(OCc2nnc3n2CCN(Cc2ccco2)CC3)nc1 96058873 IZFMDDRYBYNVLS-UHFFFAOYSA-N 325.372 1.903 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](CN2CCc3c(F)cc(F)cc3C2)C1 96478516 AEAAGOCSRCOTQJ-LBPRGKRZSA-N 344.427 1.995 0 40 EDAB CCc1cnccc1C(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 96493692 OLYCXJKBOJYSKY-MRXNPFEDSA-N 330.476 1.744 0 40 EDAB CCO[C@@H]1CCN(S(=O)(=O)c2ccccc2)[C@@H]1Cc1cnn(C)c1 96200631 CKACEQBFRKHIEP-IAGOWNOFSA-N 349.456 1.831 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccoc1)C2 96237712 HYAIAZCHXBMXRT-IBGZPJMESA-N 339.395 1.843 0 40 EDAB Cc1nnc(N2CC[C@H]3C[C@H](C(=O)NCc4ccco4)O[C@H]3C2)s1 96043257 WXLFCXFRYOANAY-YUTCNCBUSA-N 348.428 1.740 0 40 EDAB Cn1cc(NC(=O)Cc2csc(C(C)(C)C)n2)c(=O)n(C)c1=O 96418368 CRLNTSOKVMLVTL-UHFFFAOYSA-N 336.417 1.019 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[C@@H](N(C)C)C1 96502210 JINIYLQHTJDYGP-LSDHHAIUSA-N 342.509 1.917 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCC[C@H](O)c2ccccc2)C1 96483557 AKMRXYSPWSLYTR-LZWOXQAQSA-N 326.462 1.922 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CCN(c3ncccn3)C[C@@H]21 96043485 CYTJPWURSFZBEP-BZUAXINKSA-N 342.399 1.617 0 40 EDAB COCCC(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 96188088 RMEZJHMBGMLODP-INIZCTEOSA-N 344.415 1.490 0 40 EDAB Cc1oncc1C(=O)N1CCc2cnn(C)c2[C@@H]1COCC1CC1 248055754 SMDUFUJQHLLDHC-HNNXBMFYSA-N 330.388 1.883 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@H](c2nc(C)cc(C)n2)C1 257272326 NCAANKIONYIMLT-LBPRGKRZSA-N 333.417 1.721 0 40 EDAB CCOc1ccc(CN2CCO[C@H](c3cnccn3)C2)cc1CO 257258635 KUWFBQJHIRRYIT-SFHVURJKSA-N 329.400 1.941 0 40 EDAB CON(C)C(=O)[C@H]1CCCN1C(=O)c1cncn1-c1ccccc1 585089411 LKYMODNCAXEWDF-CQSZACIVSA-N 328.372 1.497 0 40 EDAB O=C(NCCCc1nc[nH]n1)NCc1ccnc(N2CCCC2)c1 585098485 WZNORXHGFXTACT-UHFFFAOYSA-N 329.408 1.232 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc(-c3cccnc3)[nH]n2)n1 257240742 HUYUWEZZGKKNLQ-OAHLLOKOSA-N 338.371 1.717 0 40 EDAB CC(=O)N1CCN(Cc2c(F)cccc2F)C[C@@H](C(=O)N(C)C)C1 257256213 KKMYDLKENMXTDN-CYBMUJFWSA-N 339.386 1.333 0 40 EDAB Cn1ncc(C(=O)O)c1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 585135135 ZEFVQEBQJIYBQO-ZDUSSCGKSA-N 349.774 1.985 0 40 EDAB Cc1cc(C(F)(F)F)nn1CC(=O)NC(C)(C)c1cn(C)nn1 585125389 QELMNKCCOOSTPG-UHFFFAOYSA-N 330.314 1.390 0 40 EDAB CC(=O)N1[C@H]2CCN(Cc3ccc(Cl)cn3)C[C@@H]2C[C@]1(C)CO 257202495 AMCZOWLSMLMDPA-RRQGHBQHSA-N 337.851 1.929 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1CCC[C@H](Cc2nccnc2N)C1 257336027 YMVGOQURHUFNFC-CQSZACIVSA-N 342.447 1.515 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1c1ccnc(-c2cncc(C(=O)O)c2)c1 257212966 CFPWCSAFEKLEOT-HNNXBMFYSA-N 347.396 1.938 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)nc(C)n1 257251911 JSVOYLYFIMIGAQ-INIZCTEOSA-N 329.404 1.670 0 40 EDAB NC(=O)CN1CCCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 257210781 BWDZDWUBWLLRDS-AWEZNQCLSA-N 329.379 1.877 0 40 EDAB CC(=O)N1CC[C@@H](Cc2cc(-c3cncc(C(=O)O)c3)ncn2)C1 257263776 LRJQPNZBKSXNDW-LBPRGKRZSA-N 326.356 1.648 0 40 EDAB C[C@@]1(c2ncc(CNS(=O)(=O)c3cccnc3)cn2)CCCCO1 257200279 ACSOERIJBSCUOB-INIZCTEOSA-N 348.428 1.766 0 40 EDAB Cc1cc(C)nc(N2CCC[C@@]2(C)c2nc(C)cc(C(N)=O)n2)n1 257312606 UOTHYSCFKNBKFY-KRWDZBQOSA-N 326.404 1.806 0 40 EDAB Cc1n[nH]c(C)c1-c1cnc([C@H]2CCCN(S(C)(=O)=O)C2)cn1 257269526 MQIZBTNAPDVJIU-LBPRGKRZSA-N 335.433 1.623 0 40 EDAB Cn1nnnc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 593994595 YEAHYKQOSXZPOH-UHFFFAOYSA-N 340.309 1.191 0 40 EDAB CCc1nn(C)cc1NS(=O)(=O)c1cc(F)c(C)c(C(=O)O)c1 565658308 MMINUHIDIJTIBS-UHFFFAOYSA-N 341.364 1.929 0 40 EDAB CCOCC(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1 575404759 DIXFQQGIVWGEHE-AWEZNQCLSA-N 333.363 1.849 0 40 EDAB O=S(=O)(c1cccs1)N1CCC[C@@H](Oc2ccncn2)C1 575608900 HLBJUZANHXNCGJ-LLVKDONJSA-N 325.415 1.770 0 40 EDAB C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1C1CCOCC1 585098023 QMLHPRWOAYJMRO-CQSZACIVSA-N 343.431 1.678 0 40 EDAB COCCNC(=O)c1cn2c(n1)[C@H](C)N(C(=O)c1occc1C)CC2 585096259 CYBJSGWAVVWBJA-LBPRGKRZSA-N 346.387 1.378 0 40 EDAB O=C(NCCOc1ccc2c(c1)CCC2)NCc1nnc2n1CCC2 57269439 LWDLAPPHJBPXPZ-UHFFFAOYSA-N 341.415 1.591 0 40 EDAB NC(=O)c1ccc(-c2nnn(CC[S@@](=O)c3ccccc3)n2)cc1 69150488 ZDVQQPPSJSBFES-DEOSSOPVSA-N 341.396 1.247 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1occc1CN1CCOCC1 65541699 SATPRJBJKMWCKJ-AWEZNQCLSA-N 330.388 1.053 0 40 EDAB Cc1ccc(NCCCNC(=O)NCc2c(C)cc(C)[nH]c2=O)nc1 75117872 TXISGFIARPGOBF-UHFFFAOYSA-N 343.431 1.997 0 40 EDAB CC[C@H](NCc1ncccc1C(F)(F)F)C(=O)N1CCOCC1 95988385 UFIBVWYNTAAJLG-LBPRGKRZSA-N 331.338 1.827 0 40 EDAB Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)Cc1ccncc1 547695190 FXAXOFHTTRJDKV-HOTGVXAUSA-N 346.406 1.958 0 40 EDAB COc1cccc(CCCN2CCC[C@H](CS(N)(=O)=O)C2)c1 98013263 NINOXTLJOKIJSR-HNNXBMFYSA-N 326.462 1.628 0 40 EDAB COc1c(C)nc(C2CC2)nc1N1CC[C@@H](CS(C)(=O)=O)C1 580096232 YFPNYAJHSQGWED-LLVKDONJSA-N 325.434 1.542 0 40 EDAB CCCc1n[nH]c(SCC(=O)NCc2ccc3c(c2)OCO3)n1 11462608 NSHNVHHDRIWZMV-UHFFFAOYSA-N 334.401 1.894 0 40 EDAB COCCn1c(=O)n(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c2cccnc21 12221972 LUURIHPRAXFYAK-ZIAGYGMSSA-N 346.431 1.349 0 40 EDAB CCCCNC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 13679095 VJNSEXTUPFEKKF-CQSZACIVSA-N 326.418 1.520 0 40 EDAB O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(Cc2ncc[nH]2)C1 15674945 VEQKJKSEZANWLD-OLZOCXBDSA-N 329.335 1.907 0 40 EDAB biogenic,in-vitro O=C(CN1CCC[C@@H]1Cn1cccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 19659131 OVDSHYBITILYPM-CYBMUJFWSA-N 340.387 1.156 0 40 EDAB C[C@@]1(C(=O)NC2CCCC2)CN(CC(=O)Nc2ccccn2)CCO1 19747064 ZPDGBRLOZKGIFC-SFHVURJKSA-N 346.431 1.170 0 40 EDAB Cc1noc(C)c1CCC(=O)N1[C@H]2CC[C@H]1CC(S(C)(=O)=O)C2 101116798 GZXDVVWJSBMWPQ-STQMWFEESA-N 340.445 1.791 0 40 EDAB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)N[C@H](Cc2ccccc2)C1=O 1611208 DEAFEYNFQHJCBC-HZPDHXFCSA-N 338.363 1.845 0 40 EDAB in-vitro Cc1cccn2c(=O)nc(SCC(=O)N3CCCCCC3)nc12 4503994 DSILRDSPSLODKE-UHFFFAOYSA-N 332.429 1.893 0 40 EDAB CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C(/C)Cl 12232504 WTDVDZXPOBRJRS-NTMALXAHSA-N 339.827 1.423 0 40 EDAB CC(C)c1nc(N2CCN(C(=O)c3cccnc3)CC2)nc(O)c1F 1888844346 VQJQHHDBGHJOFH-UHFFFAOYSA-N 345.378 1.802 0 40 EDAB COc1cccc(CC(=O)N2CC[C@H](n3cc(NC(C)=O)cn3)C2)c1 1888870267 SSZGKVOSOQXTIG-INIZCTEOSA-N 342.399 1.866 0 40 EDAB Brc1cnn(CC2CN(c3ccc4nncn4n3)C2)c1 1889136191 XIMWKLOOQBEKPW-UHFFFAOYSA-N 334.181 1.220 0 40 EDAB O=C(c1nnc(O)c2ccccc12)N1CC[C@H](Nc2ncccn2)C1 1058890220 HIAKTMWXAACFOA-NSHDSACASA-N 336.355 1.452 0 40 EDAB Cc1noc(-c2cncnc2N2CCN(C(=O)c3ccco3)CC2)n1 244975025 HYKYQNKKKFWQFC-UHFFFAOYSA-N 340.343 1.390 0 40 EDAB CN(C)c1nccnc1C[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 2037843733 GPEANTHUOSYYNP-GFCCVEGCSA-N 338.419 1.668 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H]3OCC(=O)N(C(C)C)C[C@H]3C2)nc1 2037984911 RINJLQYZDHJFCC-ZBFHGGJFSA-N 331.416 1.488 0 40 EDAB CC(C)N1C[C@@]2(CCN(C(=O)COc3ccccc3)C2)COCC1=O 2037985310 FGAKKCIRUYSMKG-IBGZPJMESA-N 346.427 1.551 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)c1csnn1)CC2 1565545626 LUSLQWQCNHOXJJ-UHFFFAOYSA-N 338.433 1.029 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C 32179143 WKLYEYLTVZUJJH-UHFFFAOYSA-N 340.387 1.145 0 40 EDAB CCn1c(Oc2ccccc2OC)nc2c1c(=O)n(C)c(=O)n2C 4386735 UMAGHZSOQQEHFZ-UHFFFAOYSA-N 330.344 1.255 0 40 EDAB O=C(C[C@H](NCCCO)C(=O)O)Nc1ccccc1Br 5258454 PFSJYMDPVQPHBK-NSHDSACASA-N 345.193 1.203 0 40 EDAB Cc1noc(C[C@]23COC[C@H]2CN(C(=O)CCc2ccc[nH]2)C3)n1 2055756342 FAECCHICVRGDEW-DYVFJYSZSA-N 330.388 1.356 0 40 EDAB O=C(C1CN(c2ncnc3sc4c(c23)CCC4)C1)N1CCOCC1 2298209814 NWDVQDOVEUVOEX-UHFFFAOYSA-N 344.440 1.475 0 40 EDAB O=C(CN1C(=O)CCOc2ccccc21)NCc1ccc(O)cc1 40490421 ZSWBBAAXEAAAEE-UHFFFAOYSA-N 326.352 1.824 0 40 EDAB NC(=O)[C@H]1CN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)CCO1 50845612 OKPGXNFRONKRBY-SJORKVTESA-N 340.379 1.519 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]3CCC(=O)N3)cc2)n1 40534260 LUEHEWSELYCLHI-INIZCTEOSA-N 326.400 1.426 0 40 EDAB CCCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@@H](Cn2cncn2)C1 100926692 NNGNUVMTQSGXRL-JJTVEENBSA-N 345.451 1.047 0 40 EDAB CN1CCN(C(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)CC1 20651011 QKPMALAIAUMMHE-FMIVXFBMSA-N 335.385 1.090 0 40 EDAB O=C(c1cccnc1)N1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F 302774 FPAATCJQXLKSQQ-CQSZACIVSA-N 336.273 1.978 0 40 EDAB CNC(=O)c1ccc(CN(C)[C@H](C)C(=O)Nc2cc(C)no2)cc1 29931437 RSIBJXSCKNRXNQ-GFCCVEGCSA-N 330.388 1.802 0 40 EDAB CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)[C@@H]1CCOC1=O 69458614 YKTDNJCJKPHGJT-MSOLQXFVSA-N 332.444 1.679 0 40 EDAB CCCn1nnnc1NC(=S)NC(=O)COc1cccc(C)c1 569719 IJLHGEXEXODMEQ-UHFFFAOYSA-N 334.405 1.284 0 40 EDAB CC(C)(C)C(=O)N1CCC(C(=O)NCCNC(=O)c2ccco2)CC1 37162495 GAVICXOCZQZGAP-UHFFFAOYSA-N 349.431 1.410 0 40 EDAB COc1cc(C(=O)Nc2ccnc(C(N)=O)c2)cc(OC)c1OC 69442164 QYLYSBWBUGJFSN-UHFFFAOYSA-N 331.328 1.459 0 40 EDAB O=C(CS(=O)(=O)NC[C@H]1CCCO1)NCc1cccc(Cl)c1 69415484 XPUVXYRPTQXTTI-CYBMUJFWSA-N 346.836 1.055 0 40 EDAB O=C1CCN(CC(=O)N2CCCC[C@@H]2Cc2ccccc2)C(=O)N1 78611731 JGHCLZPNGLHCOY-OAHLLOKOSA-N 329.400 1.552 0 40 EDAB NS(=O)(=O)c1cc(C(=O)NCCc2ccccn2)cc2c1CCC2 78758061 CHVZORUNMZTSLS-UHFFFAOYSA-N 345.424 1.190 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cnn(-c2ccccc2F)c1 79071226 LJXHHJCYOHUYEQ-LLVKDONJSA-N 337.376 1.775 0 40 EDAB Cc1nc(N2CCC(CS(N)(=O)=O)CC2)nc(C)c1CC(C)C 79026512 IBEILHKICVOMTC-UHFFFAOYSA-N 340.493 1.797 0 40 EDAB O=C(NCc1nc2ccccc2[nH]1)[C@H]1CCCN(c2ncccn2)C1 79473473 MQGROIVDXDCDCO-ZDUSSCGKSA-N 336.399 1.886 0 40 EDAB CN1CC[C@@H](C(=O)NCCNC(=O)c2ccccc2Cl)CC1=O 41396887 VOTSIFNTDQBWPX-LLVKDONJSA-N 337.807 1.054 0 40 EDAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCc1ccoc1 53038212 UUSMWNSOMAPTHN-UHFFFAOYSA-N 326.349 1.404 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)cs1 47073243 SXUMYOOBEHHWBN-UHFFFAOYSA-N 345.472 1.871 0 40 EDAB NC(=O)c1ccccc1NCC(=O)NC(=O)NCCc1cccs1 10847568 UAWUGWIHMFJJPO-UHFFFAOYSA-N 346.412 1.327 0 40 EDAB CCOc1cc(CNC[C@@H](C)O)ccc1OCC(=O)NC(C)(C)C 8254427 OZUJGZBCFXAQDC-CYBMUJFWSA-N 338.448 1.849 0 40 EDAB CN(CC(=O)NOCc1ccccc1)S(=O)(=O)c1cccs1 23040084 SOGPBKKZBKTEJH-UHFFFAOYSA-N 340.426 1.617 0 40 EDAB Cc1ccc(CNC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)n1C 23593027 GIEOBVYSZCSJNP-UHFFFAOYSA-N 346.431 1.595 0 40 EDAB O=C(O)CNC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O 61718336 KYXDKCXKRIULLU-UHFFFAOYSA-N 337.335 1.264 0 40 EDAB C[C@@H](OCc1ccccc1)C(=O)N1CCC(N2CCNC2=O)CC1 54604486 LJKAMYIRJWSTBE-CQSZACIVSA-N 331.416 1.608 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 24472554 DINDSEAXQGOSLH-AWEZNQCLSA-N 330.413 1.882 0 40 EDAB COc1ccc(N[C@@H](C)C(=O)NC(=O)NCc2ccccc2)cn1 12545017 KPDWWQHPZOJXIK-LBPRGKRZSA-N 328.372 1.917 0 40 EDAB Cc1cc(CN(C)C(=O)c2ccc(N3C(=O)CCC3=O)cc2)no1 25135498 NDEMXPLPRYUWNO-UHFFFAOYSA-N 327.340 1.909 0 40 EDAB Cc1cc(C)n(CC(=O)NCc2cccc(NS(C)(=O)=O)c2)n1 25239295 WQGZXWCCHSFDLX-UHFFFAOYSA-N 336.417 1.188 0 40 EDAB CCc1ccc(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)s1 56060349 YEKZOVWPTJTPOI-UHFFFAOYSA-N 327.431 1.226 0 40 EDAB CCCOc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(=O)NC)cc1OC 56161887 BPUSGUHITLLMLI-NEPJUHHUSA-N 337.420 1.979 0 40 EDAB CCC(CC)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 3247958 AAEBFBNNEXVOHK-UHFFFAOYSA-N 328.390 1.252 0 40 EDAB CCOC(=O)c1c[nH]c2nc(NCc3ccc(C)cc3)nn2c1=O 100641557 KUYXNONMXZUDQI-UHFFFAOYSA-N 327.344 1.515 0 40 EDAB CN1CCN(c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)CC1 12697733 CQRZYQGQLHMMMO-UHFFFAOYSA-N 337.470 1.965 0 40 EDAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)N[C@H](C)Cc1ccsc1 110604189 DZYFCCLHMXDPTH-WOPDTQHZSA-N 330.475 1.896 0 40 EDAB O=C(NCc1cccnc1-n1cccn1)c1cc2c(cc1O)OCO2 48263074 ZMEYAICGKACVMF-UHFFFAOYSA-N 338.323 1.632 0 40 EDAB CC[C@@H](C)NC(=O)CN1CCN(c2ncnc3ccsc23)CC1 29532173 TXQBZJXGFAEMSI-GFCCVEGCSA-N 333.461 1.728 0 40 EDAB COc1ncccc1NC(=O)NCc1ccc(S(N)(=O)=O)cc1 48254082 RRZMGCAIYYYIRR-UHFFFAOYSA-N 336.373 1.059 0 40 EDAB Cc1nc(NC(=O)[C@H](C)N(C)CC(=O)NC(C)(C)C)sc1C 26907239 AMAYEARKBRGPSX-JTQLQIEISA-N 326.466 1.933 0 40 EDAB C[C@@H]1CN2CCC[C@@H]2CN1CC(=O)NC[C@@H](c1ccccc1)N(C)C 97141154 XVRHUHRMVUFZNW-QRQLOZEOSA-N 344.503 1.574 0 40 EDAB O=C([C@@H]1C[C@@]12CCN(S(=O)(=O)c1cccs1)C2)N1CCCC1 107789599 QIDXUBUPHLXNSU-SWLSCSKDSA-N 340.470 1.771 0 40 EDAB Cn1cc(C(=O)NCCCn2ccnc2)c(=O)c2cc(F)ccc21 22236508 XUKNVGXRXABMFG-UHFFFAOYSA-N 328.347 1.694 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)cc1F 58246101 PTOFRXWDDXBKJO-CQSZACIVSA-N 344.390 1.876 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)N[C@H]1CCCCNC1=O 44967990 JTGZLURJGWDEQP-KBPBESRZSA-N 347.415 1.527 0 40 EDAB Cc1noc(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 44951081 UDYJBRVYWLKUAO-UHFFFAOYSA-N 334.807 1.918 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)c1ccc(C(F)(F)F)nc1O 58344284 PPNWSAOXSGGXSI-MRVPVSSYSA-N 331.294 1.547 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)c1ccncc1)CC2 108536373 MZPWTBZCIQOOST-UHFFFAOYSA-N 331.416 1.573 0 40 EDAB CCOc1ncccc1CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 58333072 AQSUIPIMVVBNOA-HNNXBMFYSA-N 331.416 1.745 0 40 EDAB CN(C)c1cccc(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 58322818 HTBUNPKMCPPCFC-LBPRGKRZSA-N 343.349 1.780 0 40 EDAB COc1ccc(-c2noc(=O)n2CC(=O)NCC(C)C)cc1OC 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Cc1nnc2n1CCN(C(=O)C[C@](O)(c1ccco1)C(F)(F)F)C2 69592563 CVCGTWFRGHJUER-ZDUSSCGKSA-N 344.293 1.362 0 40 EDAB Cc1ccc2c(CC(=O)NCCNc3cnccn3)cc(=O)oc2c1 69536678 IIUUFPKWIMQPMF-UHFFFAOYSA-N 338.367 1.662 0 40 EDAB O=c1ccccn1CCN1CCN(CCOc2ccccc2)CC1 69652585 RDIQLGDPTAUFAN-UHFFFAOYSA-N 327.428 1.545 0 40 EDAB C[C@@H](OC(=O)C1=NN(C)C(=O)CC1)C(=O)Nc1ccccc1Cl 17734481 NVNBXZINDWLHHA-SECBINFHSA-N 337.763 1.818 0 40 EDAB CC(C)n1c(SCCNS(C)(=O)=O)nc2ccccc2c1=O 69780458 NTGVNVWDFFELKE-UHFFFAOYSA-N 341.458 1.619 0 40 EDAB CCN(CCC(=O)OC)CC(=O)Nc1cccc(N2CCCC2=O)c1 64570249 RMJUSCXMERJKPC-UHFFFAOYSA-N 347.415 1.637 0 40 EDAB CN(CCO)C1(CNc2nn3c(=O)ccnc3s2)CCCCC1 69879324 UTTIUCLFGIDOMW-UHFFFAOYSA-N 337.449 1.190 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N3C[C@@H](C)C[C@H](C)C3)nc2n1 6057319 IARXOHQCZAYUGX-QWRGUYRKSA-N 345.403 1.402 0 40 EDAB Cc1cccn2c(=O)cc(Cn3ncc(Cl)c(Cl)c3=O)nc12 69829378 NCZDYGPCJSOIPE-UHFFFAOYSA-N 337.166 1.915 0 40 EDAB O=C(CCN1CCC[C@@H]1Cn1cncn1)N1CCc2sccc2C1 69846432 UAYBNBBQELRYCD-OAHLLOKOSA-N 345.472 1.779 0 40 EDAB CCc1ccc(N2C(=O)C[C@@]3(CC(C(=O)OC)=NN3N=O)C2=O)cc1 5091115 PFDGZRNJFDKXGY-INIZCTEOSA-N 344.327 1.167 0 40 EDAB Cc1cc(C[S@@](=O)CC(=O)N2CCC(c3ccccc3)=N2)no1 64811602 CFRFMQFXARIMHV-QHCPKHFHSA-N 331.397 1.868 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2CCCS(=O)(=O)N(C)C)c1 69969294 CIHYWFNNYNKTER-OAHLLOKOSA-N 328.482 1.328 0 40 EDAB OCCn1cc(CN2CCN(CCOc3ccccc3)CC2)cn1 69972401 UUKYPKRWWSGWSK-UHFFFAOYSA-N 330.432 1.072 0 40 EDAB CCOCCN1CCN([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1C 69976247 MKMWJURBBVHTDK-IRXDYDNUSA-N 325.497 1.820 0 40 EDAB Cc1ccc(N2CCC[C@H](N[C@@H](C)C(=O)NC[C@@H]3CCCO3)C2)nn1 69927086 NJJJRKBRNKKSEE-JYJNAYRXSA-N 347.463 1.027 0 40 EDAB C[C@H](NC(N)=O)C(=O)Nc1cccc(OCCN2CCCCC2)c1 95393091 BOFCSRRXAMYURH-ZDUSSCGKSA-N 334.420 1.547 0 40 EDAB O=C(COC(=O)c1cc(O)c2ccccc2c1O)NC[C@@H]1CCCO1 5203888 CPLMBJZQYIJQND-NSHDSACASA-N 345.351 1.703 0 40 EDAB CCOC(=O)c1ccc(NC(=O)CCSc2nnnn2C)cc1 6386928 BLTALNSZNWCWHL-UHFFFAOYSA-N 335.389 1.508 0 40 EDAB COc1ccc([C@@H](C)N(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 65415588 SBTIJRRTULOTSC-LLVKDONJSA-N 327.388 1.858 0 40 EDAB CSc1ccc(N2C[C@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 65423786 QHZKGVNJYFTCGL-SNVBAGLBSA-N 335.429 1.142 0 40 EDAB NC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1 14098068 FTUHBVQHYRFUBQ-CYBMUJFWSA-N 326.324 1.470 0 40 EDAB COc1ccc(NCC(=O)N2CCC[C@H](C)C2)cc1-n1nnnc1C 65566670 LDDBAISBPGQVTQ-LBPRGKRZSA-N 344.419 1.650 0 40 EDAB CC(C)NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 6679447 WBQLKLYUFJAWRA-UHFFFAOYSA-N 343.408 1.739 0 40 EDAB CC(C)N(Cc1cccc(Cl)c1)C(=O)CNC(=O)Cn1cncn1 95395293 PWUSQEIJOZMRHH-UHFFFAOYSA-N 349.822 1.485 0 40 EDAB Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@H]2CCCO2)n1 9157899 DTPNGURAPXTIEA-GFCCVEGCSA-N 329.360 1.728 0 40 EDAB O=C(C1CC1)N1CCO[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306134409 NMLWQUMDRHYBAA-HNNXBMFYSA-N 341.415 1.639 0 40 EDAB Cc1ccc(NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 69386494 VPYYTERALURJSG-UHFFFAOYSA-N 334.445 1.994 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCCCC1 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EDAB Cc1csc(NC(=O)CN2CCC[C@@H]2Cn2nc(C)nc2C)n1 72253260 KCJQVXXNKYPORN-CYBMUJFWSA-N 334.449 1.763 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)ccc1=O 72282991 BKHJMHNJWDAONK-CYBMUJFWSA-N 330.388 1.238 0 40 EDAB O=C(NCCCOCC1CCOCC1)c1cc2c([nH]c1=O)CCC2 72293336 GPTVFSAJZVRWRH-UHFFFAOYSA-N 334.416 1.427 0 40 EDAB O=C(COCCOc1ccccc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269240 NRYVZAHMUUZXSK-QZTJIDSGSA-N 348.443 1.140 0 40 EDAB CO[C@]1(C)C[C@@H](NC(=O)NC[C@@H](c2cnn(C)c2)N(C)C)C1(C)C 74313025 FXKLNRAUORHXIS-JJRVBVJISA-N 337.468 1.526 0 40 EDAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@H]1CCS(=O)(=O)C1 27975672 OXHLRWZLAIIUKH-HOCLYGCPSA-N 337.441 1.636 0 40 EDAB Cc1ccc(NCC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1Cl 89643355 ODHXXVZVYFRWCI-NSHDSACASA-N 330.837 1.611 0 40 EDAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 75606264 QSEHNETUMKIHNB-HZPDHXFCSA-N 348.491 1.926 0 40 EDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(SC)c2)C1 65403943 LZZSCHQVQHMWKV-ZDUSSCGKSA-N 335.473 1.829 0 40 EDAB C[C@@]1(NC(=O)Nc2ccn(-c3ccccc3)n2)CCS(=O)(=O)C1 128443093 PJLCOKLIUFPSGS-OAHLLOKOSA-N 334.401 1.571 0 40 EDAB CCN1CCN(c2nc(O)cc(Cc3ccc(N(C)C)cc3)n2)CC1 72391458 NHKRABPDXBFUDM-UHFFFAOYSA-N 341.459 1.981 0 40 EDAB CC[C@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832306 VVYYIUCDMDNMDX-ZANVPECISA-N 346.836 1.782 0 40 EDAB CNC(=O)c1cn[nH]c1C1(C)CCN(C(=O)c2ccccc2)CC1 72388889 FYVMUHBYOLTGTH-UHFFFAOYSA-N 326.400 1.963 0 40 EDAB Cc1nnc([C@H](C)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)o1 79029717 RJBUYMKAHQLTSO-ZDUSSCGKSA-N 343.431 1.868 0 40 EDAB CS(=O)(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)c(Cl)c1 38757282 MCSPCAKZMAEUPK-SNVBAGLBSA-N 332.809 1.620 0 40 EDAB Cc1cc([C@@H](O)CNS(=O)(=O)c2ccc3c(c2)CCO3)c(C)o1 1565519983 APESODIHJNJKTF-HNNXBMFYSA-N 337.397 1.843 0 40 EDAB CC(C)CNC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CCNCC1 72394733 BVRGNVIGIPKQLR-CQSZACIVSA-N 335.448 1.863 0 40 EDAB CCOC(=O)[C@@H]1CSCCN1C(=O)/C=C/c1csc(C)n1 32902940 XOQLMIJXFMLXRR-ITKZLYELSA-N 326.443 1.972 0 40 EDAB COCC(=O)Nc1cccc(NS(=O)(=O)[C@@H]2CCCC[C@H]2O)c1 78551968 SXZANGXWVGBXJC-ZIAGYGMSSA-N 342.417 1.317 0 40 EDAB CNc1cc([C@H]2CCN2S(=O)(=O)c2c(C)noc2C)nc(C)n1 72387635 MKWATJMWBRUDDA-GFCCVEGCSA-N 337.405 1.567 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(F)c2)n(C)c1 48300600 PSFGBOYWRNRUNX-SNVBAGLBSA-N 339.392 1.563 0 40 EDAB CCC1=C(C(=O)OC)[C@@H](c2ccc(OC)c(OC)c2)n2nnnc2N1 45895964 JLSGOONLWAYCEB-CQSZACIVSA-N 345.359 1.542 0 40 EDAB COc1ccc(CCNC(=O)C(=O)Nc2c(C)nn(C)c2C)cc1 40288036 GIDKPWTZMXLGKT-UHFFFAOYSA-N 330.388 1.343 0 40 EDAB CC(C)(C)OC(=O)N1CC(N2Cc3ccccc3NS2(=O)=O)C1 83323411 QWROROWDJGKFJR-UHFFFAOYSA-N 339.417 1.778 0 40 EDAB CN(C)[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)C[C@@H]1O 573885176 SRFSNKNVWBHYBL-HOTGVXAUSA-N 336.407 1.007 0 40 EDAB Cc1cc(C(=O)N2CCN(c3nccn4c(C)nnc34)CC2)c(C)o1 225799144 OYDWGBWKXGOOBI-UHFFFAOYSA-N 340.387 1.605 0 40 EDAB C[C@@H](Cc1ccc(F)cc1)NC(=O)c1cn(C2CCNCC2)nn1 97212302 XAHXMLCKJULPMC-LBPRGKRZSA-N 331.395 1.703 0 40 EDAB CCO[C@@H](C)c1noc(CN(C)Cc2cc(=O)n3ccsc3n2)n1 96443496 GUCCFDKMTXLKFB-JTQLQIEISA-N 349.416 1.869 0 40 EDAB Cc1nn[nH]c1C(=O)N1C[C@H](COc2ccccc2)OC(C)(C)C1 583617382 DOBAZHVFCSUTCQ-CQSZACIVSA-N 330.388 1.812 0 40 EDAB COC[C@@H]1CCC2(CCN(S(=O)(=O)c3cccnc3)CC2)N1C 96218864 NCHVWAFGGOVFMV-AWEZNQCLSA-N 339.461 1.346 0 40 EDAB Cc1cc(C(=O)N2CC[C@@]3(CN(C)C[C@H]3COCC3CC3)C2)on1 96218413 DJVOAIYPSSUVFW-MAUKXSAKSA-N 333.432 1.804 0 40 EDAB C[C@H]1CN=C(N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)S1 96449195 MCAWQBGWYZENQQ-ZDUSSCGKSA-N 343.456 1.303 0 40 EDAB Cn1cc(CN2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)cn1 96071244 SKQMZOVKZBPPCV-IBGZPJMESA-N 339.443 1.972 0 40 EDAB O=C(c1ncccn1)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 96206829 JCZSFDYZHJLELM-DZGCQCFKSA-N 328.372 1.043 0 40 EDAB CC(C)CCNC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96266088 KTBKOJBDKYZCMO-UHFFFAOYSA-N 348.428 1.440 0 40 EDAB Cc1nc(N2CCCC2)nc2c1CN(C(=O)N1CCOCC1)CC2 96253854 IOLRONBXHAVQOT-UHFFFAOYSA-N 331.420 1.196 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)N1CCCC1)C2 96237877 HORFCTRPKYIZTA-LJQANCHMSA-N 342.443 1.625 0 40 EDAB CC(C)N(C)Cc1cc(=O)n2c(n1)CN(Cc1nccs1)CCC2 96197559 QPMMWOMJKAOFJA-UHFFFAOYSA-N 347.488 1.946 0 40 EDAB COc1ncccc1C(=O)N1C[C@@H]2C[C@@H](Cc3nnc(C)o3)O[C@@H]2C1 96215590 DDFCYGAIFLZWDE-SGMGOOAPSA-N 344.371 1.254 0 40 EDAB CNS(=O)(=O)CCCSc1ncccc1Br 96411975 USMOXFBXKOOXBE-UHFFFAOYSA-N 325.253 1.876 0 40 EDAB Cc1cccc(CN2C(=O)CO[C@@H]3CN(C(=O)N4CCCC4)C[C@H]32)c1 96246419 ORVFDDOLDZOGRX-IAGOWNOFSA-N 343.427 1.622 0 40 EDAB CC(C)NC(=O)N1CCC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96074340 MTBUNASFUMGBFT-KRWDZBQOSA-N 345.403 1.749 0 40 EDAB Cc1nc(C(=O)Nc2cccc(N3CCO[C@H](CO)C3)c2)c(C)o1 585087453 MWLMESCEOJMVQJ-HNNXBMFYSA-N 331.372 1.741 0 40 EDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1c(F)cccc1F 257335479 YKHYFVXBFKDMLN-MRXNPFEDSA-N 332.310 1.372 0 40 EDAB CC(=O)N1C[C@@H]2COCCN2C2(C1)CN(C1CCC(F)(F)CC1)C2 604382003 YKEYOUWISGGZFH-OAHLLOKOSA-N 343.418 1.182 0 40 EDAB biogenic,in-vitro CS(C)(=O)=NC(=O)CNC(=O)N[C@H]1CCSc2ccccc21 585137444 ZGTABNNGIAKJQL-NSHDSACASA-N 341.458 1.777 0 40 EDAB CC(C)(C)OC(=O)[C@@H]1C[C@H](O)[C@@H](NC(=O)c2ccc(O)c(F)c2)C1 585126643 FBVYQRHKSAFTQH-JKOKRWQUSA-N 339.363 1.742 0 40 EDAB Cc1ccc([C@@H]2COCCN2C(=O)NCCN=S(C)(C)=O)o1 585137225 MUACFBUEGJXNLG-LBPRGKRZSA-N 329.422 1.399 0 40 EDAB COC(=O)N(C)CCCC(=O)Nc1ncc(Br)c(C)n1 585125297 MTOKZPDIBUXHRP-UHFFFAOYSA-N 345.197 1.964 0 40 EDAB CN(C)c1cc([C@@H]2CCCN(C(=O)c3cncnc3O)C2)ccn1 257254418 KCYRXVTYFOXBNX-CYBMUJFWSA-N 327.388 1.663 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 257251735 JRYJYGZJFAMECL-IAGOWNOFSA-N 349.408 1.508 0 40 EDAB CCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1OC 257344396 ZXAPTZXICYXWNL-PBHICJAKSA-N 334.416 1.757 0 40 EDAB O=C(CCn1ncc2ccccc21)N1CC[C@](O)(CN2CCCC2)C1 257337551 YTGMUHVQCNBKIP-IBGZPJMESA-N 342.443 1.486 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)C[C@H](Cc1cnccn1)CO2 257339985 ZEAYUUVCBKVIFL-AWEZNQCLSA-N 339.399 1.521 0 40 EDAB CCc1nccn1CCC(=O)N1CCO[C@H](c2nc(C)cn2C)C1 257233180 GODQGSUWVLHSBL-AWEZNQCLSA-N 331.420 1.478 0 40 EDAB O=C(Cc1cccs1)NC[C@]1(O)CCCN(c2ccccn2)C1 257341166 ZJCCIWPGOIZOKQ-QGZVFWFLSA-N 331.441 1.833 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)c2cccs2)C1 257209122 BPDHYVFUZZZBAQ-SNVBAGLBSA-N 339.442 1.895 0 40 EDAB COc1nccn2c(CNC(=O)c3ccc4nccnc4c3)nnc12 253473630 WVCZNLIPXKQQMC-UHFFFAOYSA-N 335.327 1.006 0 40 EDAB O=C(Cc1ccc2c(c1)CCC2)N1CC[C@](O)(CN2CCCC2)C1 257248991 JGFDBVYRNYSJID-FQEVSTJZSA-N 328.456 1.777 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cscn3)C2)ncn1 257314494 UXFYHKIPRCWHAZ-OAHLLOKOSA-N 333.417 1.003 0 40 EDAB CS(=O)(=O)N[C@H]1CCCC[C@H]1CNc1cccc(C(=O)O)n1 263431824 TVBFROAMXDIWGA-QWRGUYRKSA-N 327.406 1.300 0 40 EDAB Cn1cccc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)c1=O 264057995 BQOAKKLWIXUANV-UHFFFAOYSA-N 339.439 1.952 0 40 EDAB Cc1c(C)[n+](C)c([C@H](CC(=O)O)c2coc3ccccc3c2=O)n1O 604405236 OEWQDWYXSRFMKD-CYBMUJFWSA-O 343.359 1.880 0 40 EDAB biogenic CCOCc1ccc(CNC(=O)CN[C@@]23CCC[C@@H]2NCC3)cc1 1615057862 KYNDAGJFLWZEBF-PKOBYXMFSA-N 331.460 1.714 0 40 EDAB Cc1cc([C@H](C)NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c(C)o1 1615588133 OHKRMMRYWVKGLB-QAGHZCBJSA-N 348.403 1.635 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)N[C@@H](C(N)=O)c1ccccc1 1615590468 PPURVAFZBUSMCA-IUODEOHRSA-N 329.404 1.607 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)C2(c3ccccc3)CC2)C1 1615606433 YDIARINYLDAKHX-OAHLLOKOSA-N 349.456 1.495 0 40 EDAB C[C@H]1CN(C(=O)C(C)(C)NC(=O)C(F)(F)F)CCN1C1CCCC1 1616037174 ASKTXIZDXCASAK-NSHDSACASA-N 349.397 1.919 0 40 EDAB Cc1nc(C(=O)NC[C@@H]2CO[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C)C[C@@H]32)cs1 575403282 GUNVWLICNQNMSO-RFNSYMJRSA-N 349.456 1.311 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)c2c[nH]nc2C)CCO1 585277877 YRINZSCZXJTHCX-SFHVURJKSA-N 329.400 1.473 0 40 EDAB O=C(c1ccncc1)N1CCOC[C@@](O)(COc2ccccc2)C1 585269388 RNOCEEVBGKEAOW-GOSISDBHSA-N 328.368 1.364 0 40 EDAB CO[C@@]1(CCC(=O)NCc2ccc(CO)cc2)CCCN(C(C)=O)C1 585280587 KWPCNKRKHYSYSC-LJQANCHMSA-N 348.443 1.603 0 40 EDAB CNc1cnc(C(=O)N2CC[C@H](Cc3cccc(F)c3)[C@@H](O)C2)nc1 585278750 FVNJQMGDMPPUAJ-CJNGLKHVSA-N 344.390 1.723 0 40 EDAB C[C@@]1(C(=O)N2C[C@@H]3C[C@@H](CC(=O)N4CCC4)O[C@@H]3C2)CC=CCC1 585109469 RUBXHCSYYNSCHV-YIOZNXECSA-N 332.444 1.971 0 40 EDAB COc1ncccc1CNC(=O)c1sc(S(N)(=O)=O)cc1C 58016299 MADVIICESHYWFO-UHFFFAOYSA-N 341.414 1.038 0 40 EDAB O=C(NCc1ccco1)C1CCN(CC(=O)N2CCCCC2)CC1 58332144 WXXKUEJXCKILMZ-UHFFFAOYSA-N 333.432 1.620 0 40 EDAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)O[C@H]1CCOC1=O 58943633 WQCHFBMGJMHSQH-RZYZSWTKSA-N 335.400 1.568 0 40 EDAB Cc1cccc(N2C[C@H](C(=O)NCCN(C)C3CC3)CC2=O)c1C 63118227 JZFNXXBVTKJRNG-OAHLLOKOSA-N 329.444 1.867 0 40 EDAB CS(=O)(=O)NCCSc1nncn1-c1cccc(Cl)c1 71884067 ZXXQDYYAKODISF-UHFFFAOYSA-N 332.838 1.562 0 40 EDAB CN(C)c1cccc(CNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c1 98020599 RAZPWDRXXMVFJK-JKSUJKDBSA-N 330.432 1.705 0 40 EDAB CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O 100038558 CJDRUOGAGYHKKD-WEHAHOETSA-N 326.440 1.555 0 40 EDAB O[C@@H](COCc1ccccc1)CN1CCCN(C2CCOCC2)CC1 96415709 SXTOWCBXZPUXCP-HXUWFJFHSA-N 348.487 1.751 0 40 EDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O 8105131 NSHWVDXJJDHSIG-WQLSENKSSA-N 336.369 1.191 0 40 EDAB O[C@@H]1[C@H](c2nn(-c3ccccc3)c3nc4ccccc4nc23)OC[C@H]1O 5496163 QTWIDAWUZRIGSF-JLSDUUJJSA-N 348.362 1.762 0 40 EDAB COc1ccc(C(=O)Nc2cccc(C(=O)Nn3cnnc3)c2)cc1 14405824 IRICRQJNPMDNGK-UHFFFAOYSA-N 337.339 1.923 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 19333190 SNNREJJWLQNWTF-CQSZACIVSA-N 340.402 1.820 0 40 EDAB Cn1nccc1C(=O)NCCN1CCC(O)(c2ccc(F)cc2)CC1 12326209 AXHQEIVSMAEQPA-UHFFFAOYSA-N 346.406 1.273 0 40 EDAB CN(C1CCNCC1)S(=O)(=O)c1ccccc1Br 36300032 ANZWMSRFHXWNBB-UHFFFAOYSA-N 333.251 1.822 0 40 EDAB Oc1nc(N2CCN(c3ncncc3F)CC2)nc(C2CC2)c1F 1888855775 HYSSNKGBPCZXKL-UHFFFAOYSA-N 334.330 1.454 0 40 EDAB COc1cc(N2CCN(c3ccnc(C(C)C)n3)CC2=O)ccn1 1776008011 SOSRKYPPLFEPCZ-UHFFFAOYSA-N 327.388 1.857 0 40 EDAB CN=c1[nH]c([C@H]2CCCN2C(=O)c2cnccn2)c2sccn12 2037838583 PINBKFRXNMHSMT-LLVKDONJSA-N 328.401 1.627 0 40 EDAB OCCN(CCO)[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O 2037963968 GOYGUMNMODMYNE-ARFHVFGLSA-N 329.824 1.287 0 40 EDAB CCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2ccccc21 532888 VHVHQCFNQURKCD-HNNXBMFYSA-N 332.385 1.208 0 40 EDAB CCCN1CCc2c(sc(NC(=O)c3ccn(C)n3)c2C(N)=O)C1 11695500 SSQAYLVPMXAZOL-UHFFFAOYSA-N 347.444 1.601 0 40 EDAB Cc1cccc(O[C@@H](C)C(=O)N2CC(Cn3nc(C)ccc3=O)C2)c1 1775967055 CQVWPVUBHSKPMR-HNNXBMFYSA-N 341.411 1.786 0 40 EDAB O=C(Nc1cccnc1)[C@@]1(F)CCN(c2ccc3nncn3n2)C1 2086866198 QZVTYJSKWLHUOQ-OAHLLOKOSA-N 327.323 1.076 0 40 EDAB COc1ccc(C)cc1Nc1nc(C(=O)N2CCNC(=O)C2)cs1 35596804 YTPNHVDCEXMSFY-UHFFFAOYSA-N 346.412 1.776 0 40 EDAB CN(C)c1ncc2c(n1)CC[C@H](NS(=O)(=O)c1cccs1)C2 618256331 GLUSOZUUYXMMOM-NSHDSACASA-N 338.458 1.440 0 40 EDAB COc1cccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)c1 12321373 SCEAIUOHNXNTCD-UHFFFAOYSA-N 327.344 1.306 0 40 EDAB CCc1nc(C)c(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)s1 50611493 NDTRNRMGDYIBNG-JTQLQIEISA-N 331.463 1.168 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@@H](C)O1 40487961 NYQXDTNXBBEGQL-PHIMTYICSA-N 338.791 1.701 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCN(Cc3cccnc3)CC2)n1 40514052 ZCYSZXVNAQKUTA-UHFFFAOYSA-N 343.431 1.865 0 40 EDAB C[C@]1(C(=O)Nc2cccc(C(N)=O)c2)Oc2ccccc2NC1=O 40776347 VFORJNAENPCHHE-QGZVFWFLSA-N 325.324 1.514 0 40 EDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccccc2F)n1 32593527 DFBSJPXRYCWNRP-UHFFFAOYSA-N 330.724 1.892 0 40 EDAB O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)N1CCCCC1 148792 FSAZLKCAOTYERM-UHFFFAOYSA-N 332.429 1.744 0 40 EDAB O=C(NCCNc1ncccn1)NC[C@H](O)c1ccc(F)c(F)c1 46498650 IWPFBSSCMXDMEM-ZDUSSCGKSA-N 337.330 1.200 0 40 EDAB O=C(NCCNc1ncccn1)NC[C@@H](O)c1ccc(F)c(F)c1 46498652 IWPFBSSCMXDMEM-CYBMUJFWSA-N 337.330 1.200 0 40 EDAB Cc1cc(C(=O)CSc2nnnn2C)c(C)n1C[C@@H]1CCCO1 2660270 SGMHKRCGLPDWPH-LBPRGKRZSA-N 335.433 1.782 0 40 EDAB CC(C)NC(=O)CN1CCN(C(=O)CCc2cccc(F)c2)CC1 37133086 BOQXLBUUBZYCOE-UHFFFAOYSA-N 335.423 1.427 0 40 EDAB CC1CCN(C(=O)[C@H](C)OC(=O)c2cccc(-n3cnnn3)c2)CC1 12096403 CMSJBFZNFXUKBV-ZDUSSCGKSA-N 343.387 1.466 0 40 EDAB CC(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 818519 BRCRDPAQJDICLM-LBPRGKRZSA-N 328.409 1.751 0 40 EDAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@@H]1CCN(CC(F)(F)F)C1=O 76056467 BTIYHIDJSYFVGH-KGYLQXTDSA-N 347.381 1.386 0 40 EDAB C[C@@H]1CN(C(=O)COc2ccc(N3CCCC3=O)cc2)C[C@H]1N(C)C 76050982 JJJOBOSZHUTCBU-RHSMWYFYSA-N 345.443 1.601 0 40 EDAB CC(C)N1CNC(=O)C12CCN(C[C@H]1COc3ccccc3O1)CC2 1668926 QMWZZIQXAKKQIM-HNNXBMFYSA-N 345.443 1.459 0 40 EDAB O=C(c1cnn(-c2ccccc2Cl)c1)N1CCN(CCO)CC1 78783476 NDTMPIOKPGKRPI-UHFFFAOYSA-N 334.807 1.276 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCc1ccc2c(c1)OCO2 78806404 BRTUCVCEXMFNQI-NSHDSACASA-N 342.417 1.032 0 40 EDAB Cc1nc(CN2CCN(C(=O)COc3ccccc3F)CC2)no1 79001489 GHFCGHQXBVMBLC-UHFFFAOYSA-N 334.351 1.240 0 40 EDAB COCCOc1ccc(NS(=O)(=O)c2cn(C)c(Cl)n2)cn1 79106587 LBWOMBKTUKXQGW-UHFFFAOYSA-N 346.796 1.295 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCC[C@H]2C(=O)O)C1=O 33520840 MOBRNHKVZGKVPU-AAEUAGOBSA-N 332.356 1.266 0 40 EDAB COCc1cccc(CNC(=O)CN2CCC[C@H]2c2noc(C)n2)c1 84280864 GHQAXSCKKNJFCQ-INIZCTEOSA-N 344.415 1.978 0 40 EDAB CN(C)S(=O)(=O)CC(=O)N[C@H](Cc1ccccc1)C(C)(C)C 97107327 WWGZOCVIIFJGQC-CQSZACIVSA-N 326.462 1.651 0 40 EDAB C[C@H]1CN(CC(=O)NCCc2ccc(OC(F)F)cc2)CCO1 12344531 OGIPLAVIXKILKX-LBPRGKRZSA-N 328.359 1.667 0 40 EDAB O=C1N[C@]2(CCOC2)C(=O)N1Cc1csc(Br)c1 104317308 UYFMEMLVIAOBIX-NSHDSACASA-N 331.191 1.722 0 40 EDAB COc1c(Cl)ccc(Cl)c1C(=O)NC(=S)Nn1cnnc1 26895560 NJXQQFHBHZRQNY-UHFFFAOYSA-N 346.199 1.852 0 40 EDAB O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCn2ncnc21 105779826 HQKNXUNQEDHERN-UHFFFAOYSA-N 348.306 1.776 0 40 EDAB O=C(NC1CC1)C1CCN(CC(=O)N2CCc3ccccc32)CC1 55915717 WFXCFYARWUNSAD-UHFFFAOYSA-N 327.428 1.566 0 40 EDAB CCOC(=O)c1ccc(N2CCN(Cc3cc(C)on3)CC2)nc1 26137593 KPMHIXPPTZIQHL-UHFFFAOYSA-N 330.388 1.877 0 40 EDAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)NC[C@@H]1CCCO1 57507929 XLLHENRCCNHZTD-NSHDSACASA-N 343.408 1.906 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2cn3ccccc3n2)CC1 44894346 UDICVIVTGYUSNW-LJQANCHMSA-N 349.438 1.679 0 40 EDAB O=C(Cn1c(-c2ccccc2)noc1=O)N1CCO[C@H]2CCCC[C@H]21 58208683 WJYKVSBCLUYUTM-CABCVRRESA-N 343.383 1.673 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C)C2)c1 58280755 UXTYMKOZRLFWLA-GFCCVEGCSA-N 328.409 1.623 0 40 EDAB O=C(CCNC(=O)COc1cccc(Cl)c1)NCc1cccnc1 58283423 KFPLFVMTDJNVDZ-UHFFFAOYSA-N 347.802 1.937 0 40 EDAB C[C@@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)S(C)(=O)=O 44951696 ISRGAQFLHSITSA-STQMWFEESA-N 328.434 1.356 0 40 EDAB Cn1cc(-c2nc(C(=O)N[C@@H](C(N)=O)c3ccccc3)cs2)cn1 44954267 QOUKRYDSTJUOPR-CYBMUJFWSA-N 341.396 1.500 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC(=O)NCc1ccccc1 12600200 YAIHVWRMZINAKF-KBPBESRZSA-N 343.383 1.188 0 40 EDAB CC(C)(C)NC(=O)CCN1CCN(CCC(=O)NC(C)(C)C)CC1 58406092 LLWXIGXNYNGMIB-UHFFFAOYSA-N 340.512 1.214 0 40 EDAB COc1cccc(CN(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1OC 48261797 LMIDFTSOHPVBSM-GFCCVEGCSA-N 342.417 1.032 0 40 EDAB Nc1nccnc1C(=O)NCc1ccc(OC[C@H]2CCCO2)cc1 36390692 AQKYDPSOIGMVIV-CQSZACIVSA-N 328.372 1.547 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccn2)c1C 48302226 PGJFLTULGMXADC-AWEZNQCLSA-N 327.388 1.316 0 40 EDAB CCc1nn(C)cc1C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O 92443444 IEFBGIAZSJBMMN-INIZCTEOSA-N 326.400 1.860 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)c1cccs1 19164172 JZZMPUHYUBWEGX-UHFFFAOYSA-N 345.428 1.007 0 40 EDAB COC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1 71921590 XUIJRYHHMXESPB-CYBMUJFWSA-N 330.425 1.475 0 40 EDAB CCN(CC)CCNC(=S)N1CCN(CCc2ccncc2)CC1 13733865 NVNMNWQPXVNPAY-UHFFFAOYSA-N 349.548 1.458 0 40 EDAB CCNC(=O)NC(=O)COC(=O)c1oc2ccc(OC)cc2c1C 4319136 KAMFYSCWQXMEIQ-UHFFFAOYSA-N 334.328 1.752 0 40 EDAB CNC(=O)CNS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl 8937045 JIIXDYCJYMDMGL-UHFFFAOYSA-N 325.217 1.635 0 40 EDAB Cc1nc2ccccc2n1CCC(=O)NCCCN1CCCC1=O 5208394 IKKQAOHWELZYFN-UHFFFAOYSA-N 328.416 1.864 0 40 EDAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2 5200944 OIQLFBDPJBYVPE-SKDRFNHKSA-N 326.399 1.064 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)Cn1ccc(=O)c3ccccc31)CC2 65491722 VHKNVDLHNVOQNW-CYBMUJFWSA-N 337.383 1.033 0 40 EDAB Cc1cn2nc(N3CCC[C@H](CN4CCN(C)CC4)C3)sc2n1 65564369 WKWPQYVOCMZZHC-CQSZACIVSA-N 334.493 1.563 0 40 EDAB O=C(CN1CCC[C@H]1CN1CCCC1)NC(=O)NC1CCCCC1 65516641 PIXWQQGXXKOQAQ-INIZCTEOSA-N 336.480 1.705 0 40 EDAB CN(C)c1cc(CNC(=O)NCC[S@](=O)c2ccccc2)ccn1 71909905 RBRIEUJDOOXFRC-XMMPIXPASA-N 346.456 1.755 0 40 EDAB Cc1cc(NC(=O)CN2CCCN(C(=O)OCC(C)C)CC2)no1 65608708 HJPLVUHLRXWRGH-UHFFFAOYSA-N 338.408 1.722 0 40 EDAB O=C(CC1CCCCC1)NCC(=O)Nc1ccc(-n2cncn2)nc1 65610682 QBEAUNHRNAZZMP-UHFFFAOYSA-N 342.403 1.687 0 40 EDAB COc1cc2cc(C(=O)NCCc3c[nH]cn3)n(C)c2cc1OC 9059855 XXIQDBZDXMFOKW-UHFFFAOYSA-N 328.372 1.891 0 40 EDAB Cn1nnc(-c2ccc(NC(=O)Cc3ccccc3C(=O)O)cc2)n1 71285158 SPMCYBOCHUSGIK-UHFFFAOYSA-N 337.339 1.757 0 40 EDAB O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCCn1cccc1 49379906 MHEBXXUSUFQICB-UHFFFAOYSA-N 330.363 1.686 0 40 EDAB O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1CCCC[C@H]1O 73933193 FZWCRONEBHHDMT-PKOBYXMFSA-N 345.487 1.866 0 40 EDAB CN(C)C(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)Nc2ccccc21 66649914 ZUMATAOGAGAMST-WCQYABFASA-N 333.413 1.102 0 40 EDAB COc1cccc(C(=O)OCC(=O)NC(=O)c2ccccc2)c1O 9257004 QUAVBLHQTREDIZ-UHFFFAOYSA-N 329.308 1.514 0 40 EDAB COCCNC(=O)c1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)nc1 80583488 FZUSKNVWJHFYHH-DOTOQJQBSA-N 327.384 1.528 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)OC)cc1 16206472 YVKAVXQVOFRSNN-LLVKDONJSA-N 343.401 1.435 0 40 EDAB CCNC(=O)COC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 9313560 SVHWVHUCBBVYMJ-UHFFFAOYSA-N 331.328 1.141 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1CC1 8077175 QCMICELDQFTLOE-ZDUSSCGKSA-N 330.837 1.922 0 40 EDAB C[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(F)cc1 69343089 FVHBKYRPTHBQEY-DGCLKSJQSA-N 345.392 1.605 0 40 EDAB CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc2c(c1)OCO2 69350289 RICIARNNLSQOCV-GFCCVEGCSA-N 336.413 1.703 0 40 EDAB C[C@H](C(=O)Nc1ncccn1)N1CCN(C(=O)N2CCCCC2)CC1 69350911 KLAHANCSQIIJCX-CQSZACIVSA-N 346.435 1.027 0 40 EDAB CCCc1cc(N2CCO[C@@H](Cn3cccn3)C2)n2ncnc2n1 69376054 NFWLGTBGPYOPCE-CQSZACIVSA-N 327.392 1.179 0 40 EDAB NC(=O)N[C@@H](CC(=O)N1CCC[C@H](n2cccn2)C1)c1cccs1 69421225 CLVVPVPOIJXPBS-STQMWFEESA-N 347.444 1.908 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1ccc(Cn3cc(Cl)cn3)o1)C2 69451442 XYWGZMSAEJGLMQ-UHFFFAOYSA-N 346.778 1.734 0 40 EDAB NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(OCC(F)(F)F)nc1 69453136 UWFQSUOBUPUWFT-NSHDSACASA-N 345.321 1.893 0 40 EDAB CCn1ccnc1CN1CCN(CC[S@@](=O)c2ccccc2)CC1 69444123 YAIYKZQFXAADHM-DEOSSOPVSA-N 346.500 1.828 0 40 EDAB Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2nnc(S(C)(=O)=O)[nH]2)s1 69518525 WZGXHBCVCRNSPI-HTQZYQBOSA-N 326.403 1.320 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2Cc2nnnn2-c2ccccc2)n1 69513806 GUBRTZTWMPROGR-MRXNPFEDSA-N 338.419 1.535 0 40 EDAB CCN(Cc1cccc(F)c1)C(=O)CN1CCN(C[C@H](C)O)CC1 69627911 JYOSBCYBUIMQGO-HNNXBMFYSA-N 337.439 1.173 0 40 EDAB C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)N2CCCCCCC2)C1=O 69669417 LCAVQUAWPSSITK-SFHVURJKSA-N 344.415 1.641 0 40 EDAB CCn1c(S)nnc1CNC(=O)[C@@H]1CCCN1Cc1ccccc1 69697524 PWHBUMNRVJHRAF-AWEZNQCLSA-N 345.472 1.868 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)Sc2n[nH]c(=O)n2C2CC2)cc1 8503752 VPVSRCSTDYRPOZ-JTQLQIEISA-N 348.428 1.712 0 40 EDAB CCN(CCNC(=O)N[C@@H]1CCCCNC1=O)C(=O)OC(C)(C)C 69770830 HSJSDQTWLMSMEI-GFCCVEGCSA-N 342.440 1.211 0 40 EDAB O=S(=O)(CCN[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 69738329 AYCROROLAIYLRN-OAHLLOKOSA-N 346.456 1.509 0 40 EDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)NCCNC(=O)C1CC1 83694787 WPYXZISRKJSQKY-ZDUSSCGKSA-N 330.432 1.563 0 40 EDAB Cn1ccnc1N1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 96436925 YURWLNCFGPZCPJ-QGZVFWFLSA-N 340.427 1.773 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)Nc3cccnc3)C2)n1 69847598 ZVUNWCWFXDXQNM-HNNXBMFYSA-N 328.420 1.641 0 40 EDAB COCC(=O)N1CCN(C(=O)NCC2(c3ccccc3C)CC2)CC1 69816703 ZONNZDWYIVAJPG-UHFFFAOYSA-N 345.443 1.527 0 40 EDAB CC(C)(O)CN1CCN(C(=O)COCc2ccccc2Cl)CC1 69929983 QPKOSJUXGMJZKS-UHFFFAOYSA-N 340.851 1.772 0 40 EDAB C[C@@H](O)CN1CCC(CN(C)Cc2cn(-c3ccccc3)nn2)CC1 69968854 QMAWDKROGDZJJG-MRXNPFEDSA-N 343.475 1.792 0 40 EDAB C[C@H](CN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1cnn(C)c1)Cn1cccn1 71857724 IPERONWWZGFTHG-BJJXKVORSA-N 345.403 1.317 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)C(C)(C)c2ccccc2)CC1 71881893 NFIYVSPQEAYICS-QGZVFWFLSA-N 334.460 1.506 0 40 EDAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(C[C@H](C)O)CC1 71871165 DKFXMHVSBGUDGU-AWEZNQCLSA-N 341.455 1.919 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)[C@@H](C)OC[C@@H]1CCCO1)C2 71860281 REJUXSVFGVYSON-OCCSQVGLSA-N 334.420 1.377 0 40 EDAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(CC2CC2)C1 71847427 RLVQVFACAVJXFZ-GOEBONIOSA-N 342.395 1.376 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)c3ccc4c(c3)nnn4C)C2)no1 72271749 JFDNEKUQNQNARV-LBPRGKRZSA-N 326.360 1.680 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)n1 72235370 GXMNLAPBFNSXGR-UKRRQHHQSA-N 331.420 1.069 0 40 EDAB O=C(c1ccc(F)cc1)N1CCC(N2CCS(=O)(=O)CC2)CC1 97234647 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1.253 0 40 EDAB COCCN1CCC(CNC(=O)c2c(C)nn(C)c2Cl)CC1 89512424 CXUCWCFKJJXDHS-UHFFFAOYSA-N 328.844 1.470 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@H]2Cc3ccccc3O2)c(=O)[nH]1 75111230 UUECHGVEQIBKCF-CQSZACIVSA-N 327.384 1.795 0 40 EDAB Cc1ccc(C)c(C(=O)CCC(=O)NC[C@@H](O)CN2CCOCC2)c1 89611869 WDDBMDXZCWOMIC-MRXNPFEDSA-N 348.443 1.076 0 40 EDAB C[C@@H](NC(=O)CN1CCCCCC1=O)c1nnc2n1CCCCC2 89913886 PSQROXFRTQLYGE-CYBMUJFWSA-N 333.436 1.584 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)Oc1ccccc1 409002132 MGMSKYGWUOXNGK-VHDGCEQUSA-N 347.415 1.714 0 40 EDAB CCN1CCn2nnc(CNC(=O)Nc3ccc(Cl)cc3)c2C1=O 306137039 QJUZAWQUMQOYCI-UHFFFAOYSA-N 348.794 1.729 0 40 EDAB Cc1nccn1C[C@H](C)CNC(=O)c1nn(C)c2ccccc2c1=O 524208319 ANPDUPZYOSUAHB-GFCCVEGCSA-N 339.399 1.505 0 40 EDAB O=C1N[C@]2(C[C@H]3CC[C@@H]2N3C(=O)Cc2ccccn2)Nc2ccccc21 72327438 QIPUPJUECPGHCB-LIVBEALHSA-N 348.406 1.939 0 40 EDAB Cc1cc(CNS(=O)(=O)c2ccccc2Cl)nc(N(C)C)n1 188282496 JCYHWMWDFWXRPN-UHFFFAOYSA-N 340.836 1.983 0 40 EDAB CCCNS(=O)(=O)c1ccc(N[C@@H](C)COC)c(C(=O)O)c1 217544888 GAYSKOUYNYIILY-JTQLQIEISA-N 330.406 1.520 0 40 EDAB CC[C@@](CNC(=O)[C@@H]1CCCS1(=O)=O)(C(=O)O)c1ccccc1 565225691 SATFCDSPDKTKLF-BBRMVZONSA-N 339.413 1.112 0 40 EDAB COc1ccc2[nH]cc(CCNC(=O)CCN3CCCC3=O)c2c1 79051281 UKHAMCXLABZLLH-UHFFFAOYSA-N 329.400 1.848 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@]1(O)CCCc2occc21 1565523218 JIIJODFFZISCNS-MRXNPFEDSA-N 334.397 1.298 0 40 EDAB NC(=O)C1(CCCc2cnccn2)CCN(Cc2ccncc2)CC1 72367239 NLYZNQAWEULBJT-UHFFFAOYSA-N 339.443 1.962 0 40 EDAB COc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cn1 32842881 VFDFSFAOYGSUKY-UHFFFAOYSA-N 333.432 1.855 0 40 EDAB COCc1nc(C2CCN(S(=O)(=O)c3cccnc3)CC2)no1 72368791 OZRYVWDPIXHCCR-UHFFFAOYSA-N 338.389 1.179 0 40 EDAB Cc1c(Cl)cccc1-n1c(=O)[nH]c(C(=O)O)c(CN(C)C)c1=O 222666563 BKKJSMAYHVDVRZ-UHFFFAOYSA-N 337.763 1.247 0 40 EDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCCn1nc(C)cc1C)O2 40779468 ADBFXJWPLMFBJO-SFHVURJKSA-N 342.399 1.714 0 40 EDAB CN1CCN(c2ncc(CNc3nnc(C(F)F)s3)cn2)CC1 195562795 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C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(OCC(N)=O)cc1 223300706 KWNOWGBZFZNAFP-LBPRGKRZSA-N 346.408 1.691 0 40 EDAB Cc1cc(NC(=O)N[C@H]2CCN(C(C)(C)C)C2=O)cc(C(N)=O)c1 577219838 ZKAYZVNICJCLGH-ZDUSSCGKSA-N 332.404 1.615 0 40 EDAB O=C(CN1CCC[C@@H](c2cccnc2)C1)N1CCC2(CC1)OCCO2 585089981 MUVSNZFGYXLOKT-QGZVFWFLSA-N 345.443 1.627 0 40 EDAB C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCNC(=O)C1 96003543 VAIPXLGJCIPNPR-JTQLQIEISA-N 329.322 1.778 0 40 EDAB CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1 98181600 BHANKDNMIDQYCK-HNNXBMFYSA-N 330.381 1.975 0 40 EDAB COCCN1CC[C@]2(CN([C@H]3CCOC3)C[C@H]2c2ccccc2)C1=O 96201888 FVUAUXBRUIFVMI-CMKODMSKSA-N 344.455 1.740 0 40 EDAB CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)Cc1ccc2c(c1)OCO2 96041325 IFHTYSHGGFKIBA-YEWWUXTCSA-N 333.384 1.753 0 40 EDAB COc1ccc(C[C@H]2CNCC[C@H]2OCC(=O)N2CCCC2)cc1 96215163 DQWKKYBUBNVRIH-FUHWJXTLSA-N 332.444 1.855 0 40 EDAB Cc1ccc(CC(=O)N2CCOC[C@]3(CC[C@H](CN(C)C)O3)C2)cc1 96160228 HRCOIRBEOGWCBG-QUCCMNQESA-N 346.471 1.876 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1-n1cnnn1 95473508 OKRBJGBUPHSLKF-CQSZACIVSA-N 328.420 1.493 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(c1cccnc1)CC2 96254571 LWRSWZFWYUKKCR-UHFFFAOYSA-N 325.416 1.622 0 40 EDAB C[C@@H](C(=O)NC[C@H](O)c1c(Cl)cccc1Cl)n1cncn1 96420031 RMUNMHGQZIVSLC-KWQFWETISA-N 329.187 1.996 0 40 EDAB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)O2 95475812 JLMRADASMTXKLS-NSHDSACASA-N 339.351 1.315 0 40 EDAB O=C(NCCN1CC2(CCNCC2)CCC1=O)c1ccc(F)cc1 91769384 NXXGQEOCEVVGBQ-UHFFFAOYSA-N 333.407 1.548 0 40 EDAB CC(C)C(=O)N1CCC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96225028 YEWGDEXLNYZSSJ-KRWDZBQOSA-N 330.388 1.814 0 40 EDAB O=C(COC[C@@H]1CCOC12CN(Cc1ccccn1)C2)N1CCCC1 247733584 IQGNKAJVBVZXIO-INIZCTEOSA-N 345.443 1.312 0 40 EDAB CC[C@H](C)N(CCO)S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 585114673 QTGHXRVMIWKNMX-JTQLQIEISA-N 332.397 1.566 0 40 EDAB CCOC(=O)c1cc(CN2CCC(C)(C)S(=O)(=O)CC2)on1 585133211 AVALQDFJQSBKAF-UHFFFAOYSA-N 330.406 1.250 0 40 EDAB COC(=O)c1ccccc1COC1CCC(NS(C)(=O)=O)CC1 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EDAB Cc1cc(N2CCN(C(=O)c3ccc(O)nc3)CC2)nc(C(C)C)n1 11077339 ZLQZVGBFYMDGGB-UHFFFAOYSA-N 341.415 1.971 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)CC(C)(C)C)C[C@H]4C3)ncnc21 1065963135 FOUOYOYJZROLEC-BETUJISGSA-N 342.447 1.694 0 40 EDAB COC(C)(C)C(=O)N(C)Cc1cccc([C@H]2CN(C)C[C@@H]2C(N)=O)c1 2037834556 PODRLLHZQGOAJP-CVEARBPZSA-N 347.459 1.201 0 40 EDAB COc1cccc(C(=O)N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)c1 2037985423 JMHNXTYPJNVDJN-IBGZPJMESA-N 346.427 1.795 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC2(CCN(Cc3nccs3)C2)CC1 1035215010 BZKPFYMXXGDOKK-FOLVSLTJSA-N 347.484 1.850 0 40 EDAB COc1cnc(O[C@@H]2CCN(CC(=O)N3CCCCCC3)C2)nc1 2086951538 ROSHVGZQUYRXPI-CQSZACIVSA-N 334.420 1.341 0 40 EDAB Cc1noc(C)c1CN1CCO[C@H](C(=O)N2CCC(F)(F)CC2)C1 2087127712 IVSJQPOCIFTFGY-AWEZNQCLSA-N 343.374 1.750 0 40 EDAB CC1CC(C(=O)N2CCO[C@]3(C2)C(=O)N(C)C[C@H]3c2ccccc2)C1 1565553443 ZAWQJMFNZNMYGL-DLSIOHMBSA-N 342.439 1.886 0 40 EDAB CCOc1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1 8569382 CKTXCEQENLHOLH-UHFFFAOYSA-N 345.384 1.776 0 40 EDAB CCc1ccc(C(=O)N2CC[C@@]3(C[C@H](n4cnnc4)CO3)C2)cn1 2055839524 CVFFNZNFPDHBDS-DOTOQJQBSA-N 327.388 1.482 0 40 EDAB O=C1N(CN2CCOCC2)c2ccccc2C12O[C@H]1CCCC[C@@H]1O2 20530849 OIDQFQKNUOKTBM-IRXDYDNUSA-N 344.411 1.834 0 40 EDAB O=C([C@H]1CN(c2nccn3nc(C4CC4)cc23)CCO1)N1CCCC1 1889133936 FRECOLAEQHLETN-MRXNPFEDSA-N 341.415 1.434 0 40 EDAB Cc1cc2n(CCNS(=O)(=O)c3cc(F)ccc3F)ccn2n1 225580178 VAEXSAIXEOAGFV-UHFFFAOYSA-N 340.355 1.701 0 40 EDAB COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1cn(C(C)C)cn1)CC2 575415724 XXDQGDUAGQDEKV-GFCCVEGCSA-N 341.433 1.428 0 40 EDAB COc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn32)c(OC)c1 13692373 JAVHBVXUGWMGJT-NSHDSACASA-N 331.332 1.126 0 40 EDAB Cc1nccn1CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 29937798 AVFJLPGZMPRAPM-HNNXBMFYSA-N 339.461 1.540 0 40 EDAB Cc1cc(F)c2c(c1)CCCN2CC(=O)N[C@@H]1CCS(=O)(=O)C1 30153287 AUTIHTIPFUEMFX-CYBMUJFWSA-N 340.420 1.190 0 40 EDAB CSc1ccc([C@H](C)NC(=O)NCCCNS(C)(=O)=O)cc1 31106412 MBBDHOUKEJGWOA-NSHDSACASA-N 345.490 1.708 0 40 EDAB O=S(=O)(NCc1nnc2n1CCCCC2)c1ccc2c(c1)CCO2 40461275 TYMUFXQFNYFKEJ-UHFFFAOYSA-N 348.428 1.418 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N2CCc3ccccc32)on1 40528528 ZMKOYCFATKPFKS-GFCCVEGCSA-N 334.397 1.876 0 40 EDAB O=C(NCCc1ccccc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 51190017 FBCJIRBFQYAPLU-QGZVFWFLSA-N 345.443 1.510 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1CCOc1ccccc1Cl 20943640 MGHFCBVDCNURAE-LBPRGKRZSA-N 326.780 1.082 0 40 EDAB O=C(Nc1ccc(-n2cnnn2)cc1)N1CCC(N2CC=CC2)CC1 102316787 WSBWAAWVNCMFCA-UHFFFAOYSA-N 339.403 1.530 0 40 EDAB Cc1ccc(OCC(=O)N2CC[C@H](C(N)=O)C2)c(Br)c1 41128397 HXUKHRXETLPJAH-JTQLQIEISA-N 341.205 1.470 0 40 EDAB Cn1ccnc1SCCNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 32850725 RGLDYHWFHUNUTG-ZDUSSCGKSA-N 331.397 1.410 0 40 EDAB O=C(NCCc1cccnc1)NCc1ccnc(N2CCOCC2)c1 29734617 JNTYRSNLBVQVCN-UHFFFAOYSA-N 341.415 1.355 0 40 EDAB COC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 29754208 XZCQLCZOYXSHMS-NSHDSACASA-N 344.408 1.375 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)no1 2664126 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Cc1cccc(NC(=O)C2CCN(C[C@@H](O)C(F)(F)F)CC2)n1 97141591 PMDBZRCKCZEDPJ-GFCCVEGCSA-N 331.338 1.964 0 40 EDAB COc1ccccc1NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 25375682 ZNSSESNRFSYZJM-UHFFFAOYSA-N 339.351 1.999 0 40 EDAB O=C1[C@H](N2CCC[C@@H](O)C2)CCN1c1ccccc1OC(F)F 108081547 ZFFFADYRJIQJSN-DGCLKSJQSA-N 326.343 1.850 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCO[C@@H](c2nccs2)C1 104185552 KQQPZDSGXFKLPA-SLDGYZHNSA-N 335.433 1.184 0 40 EDAB C[C@@H](C(=O)Nc1ncccn1)N1CCN(Cc2cccc(O)c2)CC1 72308315 OPKYPBLPYHPVAD-AWEZNQCLSA-N 341.415 1.327 0 40 EDAB CCc1ccc([C@@H](C)NC(=O)NC2CCN(CC(=O)NC)CC2)cc1 58166129 VYBBJKSUUQFSKN-CQSZACIVSA-N 346.475 1.820 0 40 EDAB Cn1cc(C(=O)NCc2cc(Br)c3c(c2)OCO3)cn1 58158239 IKPCXERDMKDBND-UHFFFAOYSA-N 338.161 1.841 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NC[C@@H]1CCCO1)=N[C@H]2c1cccnc1 101983210 UYGMGFSNXFXIQK-DZGCQCFKSA-N 340.387 1.044 0 40 EDAB Cc1cc(C(=O)NCCNC(=O)C2CC2)c(C)n1CC(F)(F)F 44860016 GCRMEKHCHQVAMV-UHFFFAOYSA-N 331.338 1.923 0 40 EDAB CC[C@@H](NC(=O)c1ccc(O)nn1)c1ccccc1OCC(=O)NC 58264163 HEDNQDQWAKSGIJ-GFCCVEGCSA-N 344.371 1.188 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(C)c1 58266988 KEHZAWJICZWZGU-UHFFFAOYSA-N 326.418 1.247 0 40 EDAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC(n2cncn2)CC1 58202065 BDVWYXWROTZEIX-QGZVFWFLSA-N 325.416 1.935 0 40 EDAB O=C(NCCCN1CCOCC1)c1sccc1Br 44948686 KBUZZCXCNQDOID-UHFFFAOYSA-N 333.251 1.963 0 40 EDAB Cc1nnc(NC(=O)NC[C@H](O)COc2cccc(F)c2)s1 44969961 LBGAASAGPNPDBE-JTQLQIEISA-N 326.353 1.547 0 40 EDAB CCN1C[C@H](CN(C)C(=O)[C@@H]2CCCN2C(C)=O)Oc2ccccc21 44979745 ORLCANXFJGEVIM-RDJZCZTQSA-N 345.443 1.743 0 40 EDAB CC(C)N(C)C[C@H]1CO[C@]2(COCCN(C(=O)c3ccco3)C2)C1 107738712 DBNNYZRQMQWHPH-MAUKXSAKSA-N 336.432 1.868 0 40 EDAB COc1nc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc2ccccc12 58341065 VIPWZWIGEWKKLH-MRXNPFEDSA-N 334.397 1.550 0 40 EDAB Cn1c(NC(=O)CCN2C(=O)CCC2=O)nc2cc(Cl)ccc21 58315042 CNAZVTFMOZHPDL-UHFFFAOYSA-N 334.763 1.704 0 40 EDAB Cc1nc2ccccc2n1CC(=O)N1CCN(C[C@H]2CCCO2)CC1 58354790 RMMWPBVPZJXRRN-MRXNPFEDSA-N 342.443 1.668 0 40 EDAB CNS(=O)(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 58392726 ZMUZXSKOUPPXHX-UHFFFAOYSA-N 340.426 1.073 0 40 EDAB CC(=O)N1CCC(NC(=O)NCc2cccnc2OC(C)C)CC1 48155124 SLCPGAXUZXQERS-UHFFFAOYSA-N 334.420 1.679 0 40 EDAB COc1ccc(N2C(=O)C[C@H](SCC(=O)O)C2=O)c(OC)c1 100856035 CIAKWORJYUBKIC-NSHDSACASA-N 325.342 1.154 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@H](C)N1CCc2sccc2C1 48261044 DEBILWDFUYFVIM-LBPRGKRZSA-N 348.476 1.606 0 40 EDAB COC(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1 12756856 RKXGQEBGRFJOLX-UHFFFAOYSA-N 337.339 1.583 0 40 EDAB NC(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 69896312 SFJOLLQONWWPMJ-CABCVRRESA-N 334.441 1.912 0 40 EDAB COCCN1CCC[C@@H](OC(=O)[C@H](C(C)C)N2CCCC2=O)C1 69946452 OVWHXENIZAJEQS-ZBFHGGJFSA-N 326.437 1.287 0 40 EDAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC(O)CC2)nc1 13007181 FAEKENRIBCEGAG-UHFFFAOYSA-N 341.477 1.850 0 40 EDAB O=C(COC(=O)[C@H]1COc2ccccc2O1)c1ccc(O)cc1O 18270622 FOXOAOGXLCYHHP-MRXNPFEDSA-N 330.292 1.664 0 40 EDAB CCOc1ccc(CN(C)Cn2nc3ccccn3c2=O)cc1OC 13985709 JVJRBUFAGLUTGO-UHFFFAOYSA-N 342.399 1.993 0 40 EDAB CC(C)[C@H](OC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)NC(N)=O 6376713 YEBQVXPRXCZSIZ-YVZNUBBCSA-N 334.328 1.191 0 40 EDAB CC(C)CC(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 65490115 CZEOPGMIQDJOJH-SFHVURJKSA-N 347.459 1.338 0 40 EDAB CC(C)n1cnc([C@H]2CNC[C@]23CCN(Cc2cccnc2)C3=O)c1 306133239 MGFNRAPIDQLVLY-VQIMIIECSA-N 339.443 1.965 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)Nc2ccccn2)C(N)=O)cc1 65487961 MMRVUOOOPJABRT-CQSZACIVSA-N 342.399 1.946 0 40 EDAB O=C([C@@H]1CSCN1S(=O)(=O)c1ccccc1)N1CCCC1 65553666 PPAMTPALPAKWMM-ZDUSSCGKSA-N 326.443 1.373 0 40 EDAB C[C@H](NC(=O)NC[C@H](C)N1CCc2ccccc2C1)c1nncn1C 65623117 ZRKMIJCMONNOGI-KBPBESRZSA-N 342.447 1.622 0 40 EDAB Cn1c(Cc2cccs2)nnc1Sc1ccc2nnnn2n1 14201819 CCOBGQYWKTUKAD-UHFFFAOYSA-N 330.402 1.451 0 40 EDAB COc1cc(OC)cc(N2CC[C@H](N(C)Cc3c[nH]cn3)C2=O)c1 93840849 QCVPVNKIOLESGF-INIZCTEOSA-N 330.388 1.664 0 40 EDAB O=C(CNc1nc(Cl)nc2[nH]cnc12)NCCc1ccccc1 8992378 PXSJFBDFYLTZQQ-UHFFFAOYSA-N 330.779 1.777 0 40 EDAB C[C@@H](O)CNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6756540 KJJMLYINYDDUCQ-SSDOTTSWSA-N 327.406 1.201 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccccc2)n[nH]1 9478603 UZRJFNCJCCPEBF-UHFFFAOYSA-N 347.334 1.706 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(CNCc3cc[nH]n3)cc2)C[C@@H](C)O1 66990591 WYMVMKOXXWDODY-ZIAGYGMSSA-N 328.416 1.949 0 40 EDAB COCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 6929689 PJOLVQUZZNPZFH-CHWSQXEVSA-N 340.445 1.938 0 40 EDAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCNC(=O)C2)cc1 15384884 PXUBTHZAWFAVFI-UHFFFAOYSA-N 343.383 1.371 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C[C@H](C)O1 15587149 XEQYRKHQDOVMLK-RYUDHWBXSA-N 338.429 1.377 0 40 EDAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 7307218 FPHYIHOGAIVKIV-AWEZNQCLSA-N 336.344 1.267 0 40 EDAB Cc1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCCO2)CC1 16378935 KQTNZYFIQSEYFE-NVXWUHKLSA-N 345.443 1.645 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)C1=O 8131706 JQWVAFNXUDQDLL-RFAUZJTJSA-N 339.779 1.859 0 40 EDAB O[C@@H](CN1CCOCC1)CN1CCC(c2nc3ccccc3o2)CC1 8186152 IAGUOTHEQDKUMC-MRXNPFEDSA-N 345.443 1.700 0 40 EDAB CC(=O)N[C@H](CC(=O)NCc1ccc(=O)[nH]c1)c1ccc(Cl)cc1 70020121 AWOJHJOVNWXLND-OAHLLOKOSA-N 347.802 1.912 0 40 EDAB COc1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)NC(C)C)CC1 69384403 ZNVFIXFPEMOKOJ-CQSZACIVSA-N 348.447 1.758 0 40 EDAB O[C@@H](COc1ccc2c(c1)OCO2)CN1CCc2cncnc2C1 69571072 LEYWBUAWKJEFPV-CYBMUJFWSA-N 329.356 1.003 0 40 EDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)C2)n1 69561476 GWNIABDFKFMVNT-IAGOWNOFSA-N 344.459 1.922 0 40 EDAB COc1ccc(CNC(=O)Cc2ccc(-n3cnnn3)cc2)cc1C 69520549 MKGDOAADUHTOCF-UHFFFAOYSA-N 337.383 1.838 0 40 EDAB CCc1nn2c(=O)cc(CN[C@@H](C)Cn3cc(C)cn3)nc2s1 69597982 QGEYFFHVGWUWNG-NSHDSACASA-N 332.433 1.397 0 40 EDAB O=C(CN(Cc1ccc2c(c1)CCO2)C1CCCC1)N1CCNC1=O 69528223 ZDOAQMGQRYJISJ-UHFFFAOYSA-N 343.427 1.918 0 40 EDAB Cc1ccccc1-n1cc(C(=O)N[C@@H](C)CN2CCCC2=O)cn1 69696046 WNEKLQOYKABMAU-AWEZNQCLSA-N 326.400 1.921 0 40 EDAB Cn1nc(C(=O)N2CCC[C@H](n3ccnc3)C2)c2ccccc2c1=O 69669212 USGBOLMVJNJJOR-ZDUSSCGKSA-N 337.383 1.607 0 40 EDAB C[C@@]1(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)NC(=O)NC1=O 72306664 CTYWXLGYTSGURQ-INIZCTEOSA-N 335.791 1.790 0 40 EDAB Nc1cc2c(nn1)CCN(C(=O)c1ccc(OCC3CC3)nc1)C2 71860110 TXGKEHINHOVPPK-UHFFFAOYSA-N 325.372 1.441 0 40 EDAB C[C@H]1CN(CCC(=O)NCCc2ccccc2)CCN1C[C@@H](C)O 71879591 GZVIINYHNMHWSU-DLBZAZTESA-N 333.476 1.122 0 40 EDAB Cc1ccc(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)cc1C 71821552 RYRJUNNXOUOOJM-UHFFFAOYSA-N 345.399 1.225 0 40 EDAB CC(C)N1CCC[C@H](CNC(=O)NCC(=O)NCc2ccccc2)C1 71857285 ILRAZGWVQNULEH-QGZVFWFLSA-N 346.475 1.722 0 40 EDAB Cc1cc(C(=O)N2CCN3CCCC[C@H]3C2)c2c(C)nn(C)c2n1 71839871 AOMOJLWHGMOIKT-AWEZNQCLSA-N 327.432 1.895 0 40 EDAB CN(C)[C@@H]1CCCN(C(=O)NC[C@H]2CC(=O)Nc3ccccc32)C1 83847922 YXMXDGNFZFMMSH-ZIAGYGMSSA-N 330.432 1.848 0 40 EDAB Cc1ccc(-n2ncc3c(=O)n(C[C@H](O)C(F)(F)F)cnc32)cc1 97377975 HOXFXCSBGAUKDK-LBPRGKRZSA-N 338.289 1.814 0 40 EDAB O=C([C@H]1COc2ccccc2C1)N1CCC(N2CCNC2=O)CC1 84579434 GGCYJQZFSJSXOW-CQSZACIVSA-N 329.400 1.254 0 40 EDAB CN(C)CCNC(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 97052253 YKLRVWJHSCENQZ-UHFFFAOYSA-N 342.325 1.969 0 40 EDAB C[C@@H]1[C@@H](NCCS(=O)(=O)N2CCOCC2)C[C@H]1c1ccccc1 97085094 DHKNORYQEFEDOC-UAGQMJEPSA-N 338.473 1.430 0 40 EDAB CC1CCN(C[C@@H](O)CNc2ccccc2S(C)(=O)=O)CC1 84699895 MRLREOXLKNAEOX-AWEZNQCLSA-N 326.462 1.595 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)CCS(=O)(=O)CC(C)C)no1 72298980 RVEJNJIWWYQHBF-GFCCVEGCSA-N 329.422 1.502 0 40 EDAB CC(C)N1C[C@H](NC(=O)NCc2ccc(OCC3CC3)nc2)CC1=O 72293246 CYRPPLAAWIDWID-OAHLLOKOSA-N 346.431 1.679 0 40 EDAB CNC(=O)[C@@H](NC(=O)CN1CCC(C)CC1)c1ccc(F)c(F)c1 95416773 NLSQXNUSEUBWDM-INIZCTEOSA-N 339.386 1.600 0 40 EDAB C[C@H](CNc1nc2ccccc2nc1N1CCOCC1)[S@](C)=O 95449498 DFVUFZCUPKSSBO-SFDCACGMSA-N 334.445 1.645 0 40 EDAB Cc1ccc2c(c1)N(C(=O)Cn1cc(C(=O)O)ccc1=O)CCO2 95471821 QKVAYVCBFVPLID-UHFFFAOYSA-N 328.324 1.281 0 40 EDAB CCn1nccc1/C=C/C(=O)N1CCC(C(=O)N2CCCC2)CC1 95435248 WDIKRBDQXDHALW-AATRIKPKSA-N 330.432 1.777 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 69926612 GGQCSAUXXBDNFF-NTZNESFSSA-N 328.434 1.978 0 40 EDAB Cc1nc(CNC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)no1 95977509 ZNTFMGYGLFYVTG-NSHDSACASA-N 328.731 1.703 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1=O)N1CCc2ccccc2C1 89448841 OJFPKDYLSKNJIF-CXAGYDPISA-N 327.428 1.313 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)cc1 75118369 JUXXYEDDTRFVAC-UHFFFAOYSA-N 341.411 1.650 0 40 EDAB COC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 408620248 NMWGURDXINRGDI-VXGBXAGGSA-N 344.433 1.001 0 40 EDAB Cc1cnc2cc(C(=O)N3CCC[C@H]3CN3CCOCC3)ccn12 517757423 QSDRXLRXXGAHOW-INIZCTEOSA-N 328.416 1.580 0 40 EDAB CC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)c1nnc(O)c3ccccc13)C2 1025940427 IHNKJTQBSCGVSS-GLQYFDAESA-N 340.383 1.465 0 40 EDAB COC[C@]1(N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218196988 NZKHHVONYHOADD-SDDRHHMPSA-N 334.235 1.303 0 40 EDAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2cccc(O)c2)N1CCO 35385015 GELCIDYIKMWDBA-NVXWUHKLSA-N 349.408 1.034 0 40 EDAB Cc1cccc(CN2CCCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 72368819 OQOMMWZDKIGSCF-UHFFFAOYSA-N 349.460 1.020 0 40 EDAB COc1ccc2c(c1)C[C@H](C(=O)N1[C@H]3CC[C@H]1[C@H](C(=O)O)C3)CO2 566301015 LIAIXSKIKKMBDJ-VIRABCJISA-N 331.368 1.710 0 40 EDAB CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 223235475 RSUDTRYRUOTTIF-HNNXBMFYSA-N 340.445 1.880 0 40 EDAB CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1nnc2n1CCCC2 190079668 XUEFIEFHXGUBBT-DOMZBBRYSA-N 335.452 1.865 0 40 EDAB Cc1ccc(F)c(N2CCC(NC(=O)[C@H](C)S(C)(=O)=O)CC2)c1 195567805 ORJDQXZSUDQLPG-LBPRGKRZSA-N 342.436 1.652 0 40 EDAB O=S(=O)(C1CC1)N1CCN(c2cccc(C(F)(F)F)n2)CC1 528119003 SXQRUUPIVLEGBZ-UHFFFAOYSA-N 335.351 1.715 0 40 EDAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NC[C@@H](O)C1CCCC1 195531250 RXQSRIGKQBKSDU-RBUKOAKNSA-N 346.471 1.945 0 40 EDAB Cc1cccc(OCCNC(=O)N2CCOC[C@@H]2c2ncnn2C)c1 225434417 OZJKZXHTZLMXKU-OAHLLOKOSA-N 345.403 1.285 0 40 EDAB O=C(Cn1cnc2ccccc21)NCCCc1cnc2ncnn2c1 225644843 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328.372 1.659 0 40 EDAB COc1ccc(-n2ccnc(N3CCC[C@H](C(=O)O)C3)c2=O)cc1 96530538 AOTRZSCZYKETJC-LBPRGKRZSA-N 329.356 1.542 0 40 EDAB COc1ccc(C2=NO[C@](C)(C(=O)NCCN3CCOCC3)C2)cc1 96192799 STFAHYXFNFMZOD-SFHVURJKSA-N 347.415 1.027 0 40 EDAB O=C1CC[C@](C(=O)N2CCC3(CCNC3)CC2)(c2ccccc2)CN1 582976517 XUBXAFDDWIVCEU-HXUWFJFHSA-N 341.455 1.437 0 40 EDAB O=S(=O)(CC[C@@H]1CCCO1)NCc1ccn(-c2ccccc2)n1 96472461 OKRHIRRJGCNDIG-INIZCTEOSA-N 335.429 1.861 0 40 EDAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(Cc1cccnc1)CC2 96061528 YYVWMVDSAWHHAQ-KRWDZBQOSA-N 339.443 1.796 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 96408568 YRPSESCWOPJMPM-MGPQQGTHSA-N 342.848 1.594 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 96055506 JLUOEOSFHCNRBK-NWANDNLSSA-N 338.429 1.432 0 40 EDAB O=C(NCCN1CCOCC1)Nc1cnn(-c2ccccc2Cl)c1 96422054 RDULQSQVDSCQAP-UHFFFAOYSA-N 349.822 1.979 0 40 EDAB O=C1NCCN(Cc2ccccc2)C12CCN([C@@H]1CCOC1)CC2 96230235 WQSAXAKGHWUVDD-QGZVFWFLSA-N 329.444 1.242 0 40 EDAB 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Cc1ccnc([C@@H]2CN(C(=O)c3cn4c(C)cccc4n3)CCO2)n1 257217188 CXXNSMBWKPSJLS-HNNXBMFYSA-N 337.383 1.955 0 40 EDAB COCC(=O)N1CCC[C@H]1c1nc(C)cc(N2C(=O)OCC2(C)C)n1 257329407 XJWIVVVWMXIRPO-LBPRGKRZSA-N 348.403 1.830 0 40 EDAB Cn1cc(S(=O)(=O)Nc2cccc(N=S(C)(C)=O)c2)cn1 585118958 KJJYXIATZCQGRU-UHFFFAOYSA-N 328.419 1.580 0 40 EDAB CCC[C@H](C(=O)OCC)S(=O)(=O)N[C@H](C)Cc1c(C)noc1C 585115585 JBXRTUOJXZZWJX-QMTHXVAHSA-N 346.449 1.874 0 40 EDAB CCOC(=O)C1(S(=O)(=O)N[C@H](C)Cc2c(C)noc2C)CCC1 585115782 RZBJSPITJNGCJM-SNVBAGLBSA-N 344.433 1.628 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(Cc2cc(C)on2)CC1 257217095 CXLAZOGQNQGEHM-UHFFFAOYSA-N 329.404 1.789 0 40 EDAB CCS(=O)(=O)CCN1CC2(C[C@H](Oc3cccnc3)CCO2)C1 253488763 BTDYAQXEGUAZON-CQSZACIVSA-N 340.445 1.129 0 40 EDAB Nc1cc(CC[C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)ccn1 257285201 PGBRSUQJHNWNPQ-ZDUSSCGKSA-N 341.415 1.349 0 40 EDAB CCOC(=O)CCC(=O)Nc1ccn2ncc(C(=O)OCC)c2c1 85471524 FLRAJECNMZDKNI-UHFFFAOYSA-N 333.344 1.793 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2cccc(-c3cc[nH]n3)n2)C1 257257255 KOTRULXTBWTVAW-LBPRGKRZSA-N 335.433 1.143 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@H](CCc3ccncn3)C2)on1 257253215 JXZOJGUZHPUENK-OAHLLOKOSA-N 346.387 1.266 0 40 EDAB Cc1ncccc1C(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257319576 VTBZTIUKCPXNEA-LJQANCHMSA-N 340.427 1.889 0 40 EDAB CN(C)C(=O)CN1CCC[C@H]1c1ccnc(Nc2ncccn2)c1 257303308 SGRDFPVWLDLBKW-AWEZNQCLSA-N 326.404 1.840 0 40 EDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccs3)C2)ncn1 257286102 PKGZWBHLFWCHBW-INIZCTEOSA-N 332.429 1.560 0 40 EDAB O=C(O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)n1 262569540 CFLYZOSPHGBIHT-CQSZACIVSA-N 343.339 1.294 0 40 EDAB CCc1noc([C@@H](C)N2CCN(C(=O)Cc3cncs3)CC2)n1 275537283 YORGRWHGVCNGNM-LLVKDONJSA-N 335.433 1.536 0 40 EDAB CO[C@@H](C(=O)NC[C@@H]1CN(c2ncc(F)cn2)C[C@H]1C)C1CCC1 1092427040 BELCEISLCNKFLQ-UXIGCNINSA-N 336.411 1.619 0 40 EDAB Cc1ocnc1CN1CCN(C(=O)[C@@H]2CSCCS2)CC1 1615585864 GYXJGTOSKBQILU-ZDUSSCGKSA-N 327.475 1.476 0 40 EDAB CCOc1ccc(CCNC(=O)N2C[C@@H]3CN(C(C)=O)C[C@@H]3C2)cc1 1615549173 VLYQDSOGCVDAFJ-CALCHBBNSA-N 345.443 1.748 0 40 EDAB COc1cccc(CC(=O)NCCn2ccnc2-c2ncccn2)c1 96099058 RKZAOBDXBPUWFC-UHFFFAOYSA-N 337.383 1.708 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@]12CCN(Cc1cccnc1)C2=O 96070315 XMFCXIPKIGIPKQ-SIXWZSSISA-N 343.427 1.315 0 40 EDAB Cn1cnc(S(=O)(=O)NCC2CCN(c3ccccn3)CC2)c1 96025846 NBJIFICHKBRQJC-UHFFFAOYSA-N 335.433 1.010 0 40 EDAB CN1CCc2cc([C@H](O)CNS(=O)(=O)c3cccs3)ccc21 96362592 OBRIAXIEOXYIGH-CQSZACIVSA-N 338.454 1.752 0 40 EDAB CCc1n[nH]cc1C(=O)N1CC[C@](O)(COc2cccc(F)c2)C1 585277786 PDELDJIVSLBJNT-QGZVFWFLSA-N 333.363 1.767 0 40 EDAB Cc1c(CN2CCn3c(COCC4CC4)nnc3C[C@@H]2C)cnn1C 585096777 ADDUEOYJDLWZIT-ZDUSSCGKSA-N 344.463 1.693 0 40 EDAB CC(=O)N1CCC[C@H](NC(=O)c2ncccn2)[C@@H]1Cc1ccccc1 585269438 UPOVEHOKMTUKBM-IRXDYDNUSA-N 338.411 1.829 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@@H]1O 585279205 VESGPPIZQSATSO-SKDRFNHKSA-N 330.306 1.274 0 40 EDAB CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)Cn2ccnc2)C1 585279212 XGJFFZDEBLXGGY-KRWDZBQOSA-N 333.363 1.719 0 40 EDAB CN(CC(=O)NCC(C)(C)c1ccccc1)c1ncnc2[nH]cnc12 56888955 NWHYQRPLKAQRLV-UHFFFAOYSA-N 338.415 1.883 0 40 EDAB COCCn1c(S[C@@H](C)C(=O)NC(=O)NC2CC2)nc(C)c1C 55251009 ZOWQPSYHZGZJLX-NSHDSACASA-N 340.449 1.615 0 40 EDAB C[C@H](CCc1ccccc1)NC(=O)NCC(=O)NCC(F)(F)F 57443642 KSKPFOZMERSBSB-LLVKDONJSA-N 331.338 1.985 0 40 EDAB COC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1N1CCOCC1 66629715 DUKFZLIHXCCSAN-INIZCTEOSA-N 347.415 1.370 0 40 EDAB O=C(CCC(=O)c1ccc(Cl)s1)N[C@@H]1CCS(=O)(=O)C1 74627316 IWMABUKCGINKSS-MRVPVSSYSA-N 335.834 1.668 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N(C)CC(C)(C)O 89895958 QUQUENKIQNBAGR-INIZCTEOSA-N 348.491 1.609 0 40 EDAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN[C@H](C(=O)O)C2)cc1 1616036592 YUBBUIQHNKZRQN-FZMZJTMJSA-N 326.418 1.247 0 40 EDAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1C 13540932 OTUOLOVRKIVOFP-UHFFFAOYSA-N 337.383 1.899 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccccn1 17167971 GQCFUERBWOYQMC-NSHDSACASA-N 337.376 1.204 0 40 EDAB Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(C)n1C 2639751 HCPBBJUTWOJSEF-INIZCTEOSA-N 339.395 1.988 0 40 EDAB Cc1cc(N2CCCC2)nc(N2CCN(c3nc(C)ns3)CC2)n1 1889077980 QOQICDKJKRZNQO-UHFFFAOYSA-N 345.476 1.872 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC(=O)N(C2CC2)C1 29516402 MGOXDGCBXJRPTF-ZDUSSCGKSA-N 329.400 1.473 0 40 EDAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)CCc1cncnc1)C2 1565542556 OBYRDJRNSNYQTF-SJLPKXTDSA-N 333.432 1.843 0 40 EDAB COCc1ccccc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 41167359 RHFUWOSTKGPLCN-ZDUSSCGKSA-N 340.445 1.234 0 40 EDAB O=c1ccc(-c2cccnc2)nn1CC1CN(CC2(O)CCCC2)C1 585605859 JPARLSSDOVESRC-UHFFFAOYSA-N 340.427 1.542 0 40 EDAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(C(=O)CN(C)C)CC1 2055756426 NAHKSOJEXQMMPR-UHFFFAOYSA-N 346.475 1.546 0 40 EDAB O=c1cccnn1CCCNS(=O)(=O)c1ccc(F)c(Cl)c1 23137504 FHRDWYTYMNDIAX-UHFFFAOYSA-N 345.783 1.404 0 40 EDAB Cc1ccc(=O)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1 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CCN(CC)c1ccc(C(=O)N2CCO[C@H](c3nc(C)n[nH]3)C2)cn1 76046705 QRRFWSKRJXDCIE-AWEZNQCLSA-N 344.419 1.568 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1c[nH]c(=O)c(Br)c1 76041540 OQVYCRGCULYCLZ-JTQLQIEISA-N 344.209 1.028 0 40 EDAB CCOc1ccc(C(=O)NCC(=O)N[C@H](C)Cn2ccnc2)cc1 52749695 QATSCUBUGWDHGQ-CYBMUJFWSA-N 330.388 1.217 0 40 EDAB O=C(NCCc1csc(N2CCCC2)n1)C(=O)Nc1cccnc1 77856845 HMVQBYVGBLZJOR-UHFFFAOYSA-N 345.428 1.436 0 40 EDAB Cc1ccc(C)c(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)c1 78443682 OXPICYOYSJSKDK-UHFFFAOYSA-N 336.413 1.303 0 40 EDAB CC[C@@](C)(NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)C(=O)OC 102832118 JHBBHUYIVLMSGT-MRXNPFEDSA-N 349.412 1.294 0 40 EDAB CCSc1ccc([C@H](C)NC(=O)NCCNS(C)(=O)=O)cc1 71803113 STARZHBPMCXYAU-NSHDSACASA-N 345.490 1.708 0 40 EDAB Cc1ccc(C2=CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2)cc1 53392556 XHOQDWFZNAPUQL-OAHLLOKOSA-N 327.384 1.599 0 40 EDAB CC(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 53356046 JXYUECJHKVLKJY-AWEZNQCLSA-N 347.390 1.259 0 40 EDAB Cn1ncc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c1C(N)=O 2802999 ULEQERHDHMIUOG-SECBINFHSA-N 345.403 1.910 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2csc(C)n2)C1 84281296 ZGLMWMANXAUPMK-CQSZACIVSA-N 335.433 1.766 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)c2ccccc2)cc1 8221558 XYNPUXWDQMDHOT-ZDUSSCGKSA-N 348.424 1.851 0 40 EDAB COCCN1CCN(Cc2cc(=O)oc3cc(OC)ccc23)CC1 23248997 SYGJENRDSHIVIX-UHFFFAOYSA-N 332.400 1.566 0 40 EDAB Cn1c(=O)c2cc(C(=O)NCc3ccccc3)sc2n(C)c1=O 12422716 RJRLFXPMCZSDOX-UHFFFAOYSA-N 329.381 1.229 0 40 EDAB CCN1C(=O)C(=O)N(CN2CCC[C@@H]2c2ccc(OC)cc2)C1=O 23995618 IZMINYYMQFESMU-CQSZACIVSA-N 331.372 1.600 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCc2cc(F)ccc21 56839956 SITNKUMAVOWBIF-IINYFYTJSA-N 326.393 1.547 0 40 EDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1 107583621 YTZQMZRBNZMZOW-YYWYGQEZSA-N 332.492 1.739 0 40 EDAB CCN1CC[C@H](CNC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)C1 107893096 UCOBYZQOVNRBAN-CQSZACIVSA-N 346.431 1.675 0 40 EDAB C[C@H](C(=O)NCC(F)(F)F)N1CCN(c2ccccc2O)CC1 57289919 OYHGAWBQGBLJQZ-LLVKDONJSA-N 331.338 1.581 0 40 EDAB C[C@H](NC(=O)N[C@H](C)CN1CCOCC1)c1ccc2c(c1)OCCO2 48020717 DAWNWRBBUSGJHT-KGLIPLIRSA-N 349.431 1.539 0 40 EDAB COCCN1C(=O)/C(=C(\C)NCC2CCCCC2)C(=O)NC1=S 105209872 LCUXMSOFLJXVJG-ACCUITESSA-N 339.461 1.320 0 40 EDAB C[C@H]1CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CCO1 44400459 IIWDGJSGFADXSF-LBPRGKRZSA-N 333.363 1.551 0 40 EDAB CCOCC(=O)N[C@@H](Cc1ccccc1)CN(C)C(=O)COCC 72287144 YZWIKRPARVWDOA-INIZCTEOSA-N 336.432 1.245 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cccc(-n3cnnn3)c2)n1 44652981 HTXAPHFKWQHJQC-LBPRGKRZSA-N 339.403 1.542 0 40 EDAB CNC(=O)c1ccc(=O)n(CC(=O)Nc2cccc(Cl)c2C)c1 58159077 DERBYTGQNWWDGJ-UHFFFAOYSA-N 333.775 1.808 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)no1 44938589 CXIZDWXXEKIBKI-SUHUHFCYSA-N 328.434 1.981 0 40 EDAB CCC[C@H](C(=O)NCCN1CCS(=O)(=O)CC1)c1ccccc1 44934412 MZKGLVFTSMHHBU-INIZCTEOSA-N 338.473 1.417 0 40 EDAB COC(=O)c1cccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)n1 45041075 FQYLPCYHSKEBMA-UHFFFAOYSA-N 328.324 1.869 0 40 EDAB COCCN(Cc1ccccn1)C(=O)c1ccc2nnn(C)c2c1 97110739 DMRUUBSRJYSEGQ-UHFFFAOYSA-N 325.372 1.652 0 40 EDAB Cc1[nH]c(=O)n(-c2ccc(Br)cc2)c(=O)c1CC(=O)O 20156490 DXHTZIMGPFJRPM-UHFFFAOYSA-N 339.145 1.224 0 40 EDAB Cc1nc(S(=O)(=O)CC(=O)NC(C)(C)C)[nH]c1Cc1ccccc1 113636598 CVWRJCDLUVJMMD-UHFFFAOYSA-N 349.456 1.997 0 40 EDAB C[C@@H]1CN(C(=O)CN(C)CC(=O)Nc2ccccc2Cl)CCO1 11291891 YQBICBKMWPBPDA-GFCCVEGCSA-N 339.823 1.458 0 40 EDAB O=C(O)CN(CC1CC1)S(=O)(=O)c1cccc(Br)c1 36885474 GDXHSXAJCFFYNT-UHFFFAOYSA-N 348.218 1.934 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)NCc2nnc3n2CCCCC3)c1 48354503 MGTXCMITYHJMRV-UHFFFAOYSA-N 348.428 1.338 0 40 EDAB Cc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cn1 48310011 CJMBEXHDMLMJMT-MRXNPFEDSA-N 330.432 1.934 0 40 EDAB NC(=O)c1ccsc1NC(=O)COC(=O)CCc1ccccc1 3408300 VXWADCINDQLMDU-UHFFFAOYSA-N 332.381 1.962 0 40 EDAB CC(C)Oc1ccccc1[C@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O 48464799 MMXBBKOWDIXICL-WCQYABFASA-N 333.388 1.639 0 40 EDAB C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1 12923491 PMHLPIYNNUCLNY-ZDUSSCGKSA-N 337.379 1.957 0 40 EDAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@@H](O)C1CCCC1 71910840 HECUVCBWQKJFIE-MRXNPFEDSA-N 343.427 1.913 0 40 EDAB O=C(NCc1cn2ccccc2n1)C1CCN(c2ncccn2)CC1 63663341 JGLBBUHKPFCULS-UHFFFAOYSA-N 336.399 1.657 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(C(=O)O)cc1 13441907 NWSKBFWEYNFWMS-UHFFFAOYSA-N 347.392 1.761 0 40 EDAB O=C(COc1ccc2ccc(=O)oc2c1)NCCCN1CCOCC1 13557241 OHVFKRODGCHSKT-UHFFFAOYSA-N 346.383 1.010 0 40 EDAB biogenic CCN1C(=S)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 8993644 KJICILMITGQIRS-NWDGAFQWSA-N 330.862 1.932 0 40 EDAB Cc1ccsc1CN(C)C(=O)Cn1nnn(-c2ccccc2)c1=O 8945047 LZUUHOBVKFPUDN-UHFFFAOYSA-N 343.412 1.458 0 40 EDAB COC(=O)c1cc(C(=O)N2CCC(OC)CC2)n(-c2ccccc2)n1 65495403 CTNYCEIPHMTMOW-UHFFFAOYSA-N 343.383 1.910 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N1CCC[C@@H](n2cccn2)C1 65614354 RURVRPFACRSQFB-CQSZACIVSA-N 339.461 1.794 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1 6509079 BLIDANQMSARENI-HIFRSBDPSA-N 335.381 1.137 0 40 EDAB CCOCCCNC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 4690325 VROJPBAXEYKDFF-UHFFFAOYSA-N 342.461 1.612 0 40 EDAB CC[C@@H]1CCCCN1C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 15027204 ZWWJDAOZYJJYGS-SJORKVTESA-N 329.444 1.690 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cn1 7357230 WKSZZNQUJRFCMY-UHFFFAOYSA-N 333.369 1.776 0 40 EDAB Cc1ccnc(NC(=O)CSc2nnc3nc(C)cc(C)n23)n1 7813800 RXVWVOHRMKFVDP-UHFFFAOYSA-N 329.389 1.570 0 40 EDAB C[C@H](NC(=O)CN1CSCC1=O)c1ccc(-n2ccnc2)cc1 7990828 IXSOXYJPPIUGOH-LBPRGKRZSA-N 330.413 1.582 0 40 EDAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)[C@H](O)C1CCOCC1 70039647 YFLCWSATOFOLQM-BPLDGKMQSA-N 327.421 1.497 0 40 EDAB Cn1cc(C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)cn1 69532670 FHZIJLIAEIVDDK-UHFFFAOYSA-N 345.384 1.262 0 40 EDAB CCc1nnc2n1C[C@@H](CNCc1nc(-c3ccccn3)no1)CC2 69626474 ADIHCKMMSNOICX-GFCCVEGCSA-N 339.403 1.638 0 40 EDAB CS(=O)(=O)CC[C@@H]1NC(=O)N(Cc2c(F)cccc2Cl)C1=O 8507082 JAUINZYTKDGMPI-NSHDSACASA-N 348.783 1.334 0 40 EDAB Cc1cccn2cc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)nc12 69774850 VQILDHWVCSJWOO-MRXNPFEDSA-N 328.416 1.466 0 40 EDAB CCN(CC)CCCNC(=O)CNc1nc(Cl)nc2[nH]cnc12 9575706 KGSPVKGTYKMMHH-UHFFFAOYSA-N 339.831 1.266 0 40 EDAB Cc1ccc([C@H]2C[C@@H]2C(=O)NCC2(C(N)=O)CCOCC2)cc1C 71836373 IPYOKXZFBCPYCD-CVEARBPZSA-N 330.428 1.805 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1 69919050 DDYBCJVTTUSXSJ-LBPRGKRZSA-N 335.835 1.970 0 40 EDAB Cc1nnc([C@@H](C)N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)o1 71819440 XAQSBYGBOWECNW-FRRDWIJNSA-N 336.436 1.787 0 40 EDAB Cc1c(CC(=O)N2CC[C@@H](C(N)=O)C2)nnn1-c1cccc(Cl)c1 71824135 HRPQPUSOLZMKLP-LLVKDONJSA-N 347.806 1.105 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)cc1 71804320 GPYMTDNQRYEPFA-SFHVURJKSA-N 345.443 1.350 0 40 EDAB O=C1OCCN1CCS(=O)(=O)c1cc2c(cc1Cl)OCCO2 67488510 ZTGAWFGJHUVJCR-UHFFFAOYSA-N 347.776 1.337 0 40 EDAB C[C@@H](C(=O)NCc1cccc(COC2CCOCC2)c1)n1cncn1 95394823 QUMFLAONKATBDO-AWEZNQCLSA-N 344.415 1.851 0 40 EDAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cccn2C)cc1OC 95389844 LHVZUIINCSXLKQ-GFCCVEGCSA-N 332.356 1.988 0 40 EDAB COCc1nc(C)cc(N2CCC(CCN3CCOCC3)CC2)n1 95405405 DEOBEPRXWQDHOO-UHFFFAOYSA-N 334.464 1.870 0 40 EDAB Cn1cc(CN2CCCN(C(=O)C3SCCS3)CC2)cn1 95444733 GCPFIRZUFLKXCR-UHFFFAOYSA-N 326.491 1.261 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)n[nH]1 95966066 YZPUKDGPHDRCLX-ZDUSSCGKSA-N 343.387 1.931 0 40 EDAB CCc1noc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)n1 95984627 NJZFZCLHRKCZSA-MNOVXSKESA-N 338.433 1.952 0 40 EDAB CSC[C@@H](CCO)NS(=O)(=O)c1ccc(F)c(Cl)c1 89493449 BUBKCNLNSPCVPF-MRVPVSSYSA-N 327.830 1.871 0 40 EDAB Cc1n[nH]c(C)c1CNC(=O)N1CCC[C@H](Cc2nccn2C)C1 89522803 MTLSKHMYXNSGHK-CQSZACIVSA-N 330.436 1.924 0 40 EDAB O=C1NC[C@@H](C(=O)NCc2ccc(COCc3ccccc3)cc2)N1 89836697 AIBZWLWITLMYJY-KRWDZBQOSA-N 339.395 1.701 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 89830075 QDVLWETWOFKRPW-RYUDHWBXSA-N 335.347 1.711 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCC(OC(C)C)CC2)o1 75607104 NYQZOCUFFLCSEL-UHFFFAOYSA-N 331.390 1.644 0 40 EDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2cc(C)on2)on1 548354597 ZRDOANTWLMVPSU-STQMWFEESA-N 336.367 1.964 0 40 EDAB Cc1nn(C)cc1CC(=O)N1CCC[C@@H](Oc2ncccc2F)C1 516539491 MUZYYVZUGMBXDZ-CQSZACIVSA-N 332.379 1.875 0 40 EDAB COc1cc2nc(NN)n(CCCOC(C)C)c(=O)c2cc1OC 408712601 AMQXLHABQDGECM-UHFFFAOYSA-N 336.392 1.514 0 40 EDAB COCc1ccc(CN2C[C@H](c3cnn(C)c3C)[C@@H](C(N)=O)C2)o1 527586234 CFZHCTHGCHMEMO-CVEARBPZSA-N 332.404 1.169 0 40 EDAB O=C(O)c1ccc(CN2CCNCC2)c(I)c1 39951831 NZNLTIQZIQTGHO-UHFFFAOYSA-N 346.168 1.395 0 40 EDAB Cn1c(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)nc2cc(N)ccc21 32123848 BDYQAVMUVYQSCP-UONOGXRCSA-N 349.438 1.937 0 40 EDAB biogenic O=S(=O)(Cc1ccon1)N1CCN(Cc2ccc(F)cc2)CC1 75918649 AWUNPTHIZXSYTJ-UHFFFAOYSA-N 339.392 1.461 0 40 EDAB O=C(NCC(F)(F)F)C(=O)NC[C@](O)(c1ccccc1)C1CC1 70969102 VWAHUIJZQDDPNO-AWEZNQCLSA-N 330.306 1.079 0 40 EDAB Cn1ncc(C(=O)NCc2ccc(NC(N)=O)cc2)c1-n1cccc1 43484756 JNLUSKXLJYQXMQ-UHFFFAOYSA-N 338.371 1.631 0 40 EDAB COCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241344 FPSQHQJNSAHGKO-ZIAGYGMSSA-N 326.780 1.001 0 40 EDAB O=C(NCc1ccc(CO)o1)c1ccc(O[C@@H]2CCSC2)nc1 225716995 DEACEPKVTHYPLM-CQSZACIVSA-N 334.397 1.981 0 40 EDAB C[C@@H]1CN(CCCNC(=O)N2CC[C@@H](C)[C@@H](C(=O)O)C2)CCCO1 564569149 YPACUCXLIWPFMU-KFWWJZLASA-N 341.452 1.240 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C)s1 222634034 DQMYKKNZMVXNDN-UHFFFAOYSA-N 326.403 1.996 0 40 EDAB CCCOC(=O)c1cc(-n2cnnc2)ccc1N1CCN(C)CC1 226277700 SWDGXOPLLSSCCG-UHFFFAOYSA-N 329.404 1.586 0 40 EDAB O=C(Nc1nc(C(=O)N2CCN(c3ccccc3)CC2)co1)C1CC1 75157928 YHZZZWBPQXCGGS-UHFFFAOYSA-N 340.383 1.986 0 40 EDAB CCn1cc([C@@H]2CN(C(=O)NC[C@H](C)Cn3cccn3)CCO2)cn1 191500617 OPEIOZMCGRHQJQ-HOCLYGCPSA-N 346.435 1.519 0 40 EDAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccno1 85467607 UKLQNPSQOZEFHH-ZDUSSCGKSA-N 332.335 1.180 0 40 EDAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cccn(C)c1=O 225709957 WNIINOCYBYYYCN-IBGZPJMESA-N 342.395 1.348 0 40 EDAB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226860322 CUSQQIKTONIZCR-UHFFFAOYSA-N 332.337 1.380 0 40 EDAB Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CO3)C2)nn1 225429669 FNUGBVXZXUPRGM-IRXDYDNUSA-N 339.395 1.906 0 40 EDAB Cc1nnc(NC[C@@H]2CO[C@]3(COCCN(Cc4ccco4)C3)C2)o1 96240590 AMBVFMFBNRANQC-RHSMWYFYSA-N 348.403 1.691 0 40 EDAB CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCc2c(O)ncnc2C1 581908747 UHYSRQFCZHYCHB-CQSZACIVSA-N 346.431 1.494 0 40 EDAB Cc1noc(C)c1CN1CCC[C@]2(CCCN2CC(=O)N(C)C)C1 96214881 YNEJUHFUMMLNEC-SFHVURJKSA-N 334.464 1.810 0 40 EDAB CCS(=O)(=O)N(C)C1CCN(Cc2ccc(C(=O)O)cc2)CC1 578756051 AWDRVCJGXBHXGN-UHFFFAOYSA-N 340.445 1.631 0 40 EDAB CN(C)C(=O)N1CCC[C@]2(C[C@@H](OCC3CCOCC3)CO2)C1 96207691 UOOQXDPBJAPBTF-WBVHZDCISA-N 326.437 1.735 0 40 EDAB Cc1cc(F)c(C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)cc1F 583615642 WMDYCHYAGHJDOR-SNVBAGLBSA-N 348.353 1.561 0 40 EDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3ccc(C)s3)[C@@H]2C1 96217838 OVNTUFPLKBFBAR-ZNMIVQPWSA-N 338.473 1.864 0 40 EDAB O=S(=O)(Nc1ccc(O)nn1)c1cnc(-c2ccccc2)nc1 330032791 RWGUAJSSKHYKKF-UHFFFAOYSA-N 329.341 1.440 0 40 EDAB Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2cccnc2)o1 96114363 VBHVLQMBQGFFEX-CQSZACIVSA-N 344.367 1.430 0 40 EDAB biogenic COCCO[C@H]1CCN(C(=O)c2ccno2)[C@H]1Cc1cccnc1 96200517 NUQFUWBROJJRGU-GJZGRUSLSA-N 331.372 1.558 0 40 EDAB Cc1nsc(N2CCCN(S(=O)(=O)c3cccs3)CC2)n1 96428684 GIHGQUMKDJRBLD-UHFFFAOYSA-N 344.487 1.809 0 40 EDAB Cc1ccc(CN2CCC3(CC2)CN(c2cnn(C)c2)C(=O)CO3)o1 96201449 LIXFROWVAQOUMT-UHFFFAOYSA-N 344.415 1.720 0 40 EDAB Cc1nc(CNC(=O)N2CCN(Cc3ccccn3)CC2)oc1C 97096541 UBVMGRKQNJPDCL-UHFFFAOYSA-N 329.404 1.714 0 40 EDAB COc1ccc(CCNC(=O)Cn2cc(OC)c(=O)cc2C)cc1 96114670 QIBDDVOREKADNH-UHFFFAOYSA-N 330.384 1.533 0 40 EDAB biogenic CN(C)C(=O)[C@@H]1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@@H]2O1 96040978 JAICPMXWXARBJF-JQFCIGGWSA-N 332.400 1.483 0 40 EDAB CN(C)CC(=O)N1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 96040452 YAJHLQMHOGHZPV-CRAIPNDOSA-N 333.432 1.420 0 40 EDAB COCCN1CC2(CCN(Cc3ccccn3)CC2)[C@@H](COC)C1=O 96209156 UBJIXGHXEKLORV-KRWDZBQOSA-N 347.459 1.415 0 40 EDAB c1cnc(N[C@H]2COC3(CCN(CC4CCOCC4)CC3)C2)nc1 96221652 MRJGUOCKRAEDFS-MRXNPFEDSA-N 332.448 1.939 0 40 EDAB O=C(c1cocn1)N1Cc2cncn2[C@@H](COCc2ccncc2)C1 247889822 YCRZWDXUYHUPIK-OAHLLOKOSA-N 339.355 1.680 0 40 EDAB Cc1noc(C)c1CN1Cc2ccnn2[C@@H](COCC(=O)N(C)C)C1 247981810 JRZLUFNLUHEWFE-OAHLLOKOSA-N 347.419 1.150 0 40 EDAB COCC(=O)NCC[C@@H]1CCOC12CN(Cc1ccccc1C)C2 248130375 ALBIISJZKFENBM-QGZVFWFLSA-N 332.444 1.739 0 40 EDAB Cc1nn(C)c(C)c1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1 257257902 KROMLAGZJHLDFG-ZDUSSCGKSA-N 349.460 1.633 0 40 EDAB O=S(=O)(c1cccc2cccnc12)N1CC[C@H](n2nccn2)C1 253473493 VPAURLCDIWBRLN-ZDUSSCGKSA-N 329.385 1.462 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)CCCn2cccn2)CCO1 257272352 NCCCMKUCOBLDDF-ZDUSSCGKSA-N 330.392 1.095 0 40 EDAB CCn1nc(C(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)cc1C 257310591 UFUKLKIRFCKWOU-CQSZACIVSA-N 345.403 1.181 0 40 EDAB O=S(=O)(c1cccnc1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257211121 BXOGSFHBVMQIED-CYBMUJFWSA-N 343.412 1.921 0 40 EDAB Cc1ccc(CN(CCN(C)C)S(=O)(=O)C2CCC(=O)CC2)o1 585135247 YYONCPKCOKDAQJ-UHFFFAOYSA-N 342.461 1.793 0 40 EDAB Cc1cnc(CCNC(=O)[C@@H]2CN(c3ccc(F)cc3)CCN2)s1 257282696 OUWXMEXNHLMCIZ-HNNXBMFYSA-N 348.447 1.728 0 40 EDAB O=C(c1cc(=O)c2ccccc2o1)N1CC[C@](O)(CN2CCCC2)C1 257215666 CRDMKYKCQYQNGD-IBGZPJMESA-N 342.395 1.466 0 40 EDAB Cc1ncncc1C(=O)N(C)C[C@@]1(O)CCCN(c2ccccn2)C1 257227741 FQRJDVIJVOAVQE-SFHVURJKSA-N 341.415 1.284 0 40 EDAB Cc1cc(-c2cnc(CC3CCN(S(C)(=O)=O)CC3)cn2)[nH]n1 257240165 HSIJKYOHFZVHQU-UHFFFAOYSA-N 335.433 1.389 0 40 EDAB NC(=O)CCN1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 257292699 QMPLNMJLWAJYQS-WMLDXEAASA-N 346.427 1.962 0 40 EDAB COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)cc1 257279317 OGASCAGETIBETM-IAGOWNOFSA-N 327.384 1.065 0 40 EDAB CN(C)Cc1ccnc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257306026 SSOGFFXKTHUUQB-HNNXBMFYSA-N 346.456 1.742 0 40 EDAB Cc1cccc(N2CCC[C@@H](NS(=O)(=O)c3cccnc3)C2)n1 257282659 OURDIAMSAUMNJT-CQSZACIVSA-N 332.429 1.732 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cc2ccccc2F)nc1 257235841 GZTJIFSXKBNOGF-HNNXBMFYSA-N 348.399 1.728 0 40 EDAB COC[C@]1(C(=O)O)CCN(C(=O)N[C@@H](C)Cc2cccc(O)c2)C1 635508553 VLXDAFBWAITZBE-SJCJKPOMSA-N 336.388 1.456 0 40 EDAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(-n2cncn2)nn1 96097914 LOBXPORBHIBZNL-UHFFFAOYSA-N 332.327 1.700 0 40 EDAB CCn1cc(-c2noc(CNC(=O)COc3ccccc3C)n2)cn1 390831585 SQWHEJMXJXCHRN-UHFFFAOYSA-N 341.371 1.957 0 40 EDAB Cc1ccc(CNC(=O)N[C@@H]2CCCNC2=O)c(OCC2CC2)c1 390835384 MFPVKLLGDCCUNM-OAHLLOKOSA-N 331.416 1.862 0 40 EDAB Cc1nc[nH]c1C(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575403536 GDLJOBSLYYPWPZ-CYBMUJFWSA-N 330.413 1.892 0 40 EDAB Cc1ccc(OC[C@@]2(O)CCN(C(=O)C(C)(C)n3cncn3)C2)cc1 585276979 QXDGLIFPKQODHN-GOSISDBHSA-N 344.415 1.364 0 40 EDAB CC(=O)N1CCC[C@H](NS(=O)(=O)C(C)C)[C@@H]1Cc1ccccc1 585281564 ZLXRAUCFWJNFGC-IRXDYDNUSA-N 338.473 1.936 0 40 EDAB CO[C@H]1CN(CC(=O)Nc2nonc2C)CC[C@@H]1Cc1ccccc1 585280111 AKVIATQSTASNOK-CVEARBPZSA-N 344.415 1.896 0 40 EDAB CCCNC[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O 585289814 KGRRDZVIQZTYTL-HOCLYGCPSA-N 326.824 1.278 0 40 EDAB CCOC(=O)[C@]12CCCN(C(=O)c3ccnc(F)c3)C[C@H]1CN(C)C2 585108141 BBHVNKRURYTCGS-KDOFPFPSSA-N 349.406 1.568 0 40 EDAB Cc1cc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)[C@@H](O)C2)nc(O)n1 585279412 LTZYJZRYDVAHKS-CJNGLKHVSA-N 345.374 1.695 0 40 EDAB Cc1cncc(CN2CCC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)n1 585101183 LTEHUIPNQLFLRM-GOSISDBHSA-N 345.447 1.763 0 40 EDAB CCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 44892937 IPXQNVPNSNJKGD-UHFFFAOYSA-N 342.325 1.496 0 40 EDAB CCc1c(C(=O)NC2CCN(C(C)=O)CC2)cnn1-c1ccccn1 44918357 MUVQYFCRSJYHCZ-UHFFFAOYSA-N 341.415 1.570 0 40 EDAB CCn1cnnc1CNC(=O)c1ccc(CN2CCCC2=O)cc1 47021250 MPUZCBKTPGFUQV-UHFFFAOYSA-N 327.388 1.350 0 40 EDAB Cc1ccn2cc(C(=O)N3CCC(N4CCNC4=O)CC3)nc2c1 54594615 BJQWENPZCRGNKY-UHFFFAOYSA-N 327.388 1.273 0 40 EDAB O=C(CCc1ccccc1O)NCCCNC(=O)c1cccc(O)c1 58332103 RSYJESOLPVDHLL-UHFFFAOYSA-N 342.395 1.967 0 40 EDAB COC[C@H](C)NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 69453940 UHSQVXQFUNFQSN-INIZCTEOSA-N 347.459 1.898 0 40 EDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CN1CCN(Cc2ccccn2)CC1 85777234 OGQNTZLGZHLYAL-CALCHBBNSA-N 342.443 1.332 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)O 548533712 GRTVTLZYHPEFCL-JQWIXIFHSA-N 331.365 1.292 0 40 EDAB CCCS(=O)(=O)NC1CCN(Cc2ccc(C(=O)O)cc2)CC1 575929217 SNKMJSVADUDHIT-UHFFFAOYSA-N 340.445 1.679 0 40 EDAB CN1CCN(c2ncc3c(n2)CCN(C(=O)C(C)(C)C2CC2)C3)CC1 1615586402 NGHCEDZADINNDZ-UHFFFAOYSA-N 343.475 1.549 0 40 EDAB COc1ccc(F)cc1CNS(=O)(=O)C[C@@H]1C[C@H]2COC[C@@H]2O1 1616037658 LKEONLFRESOMCA-WHOFXGATSA-N 345.392 1.058 0 40 EDAB CCCC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)NC(C)=O 5201878 GCTQAGGEBYNJJG-OWCLPIDISA-N 345.392 1.108 0 40 EDAB COc1nc(C)c(CC(=O)N[C@@H](C)c2c(C)n[nH]c2C)c(OC)n1 12198255 ZMNYPDYKVDWQJX-VIFPVBQESA-N 333.392 1.562 0 40 EDAB Cc1cc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3)nc1-c1ccccc1 12755997 HMLQXPOFYBOJGR-MCPYQZEQSA-N 325.412 1.864 0 40 EDAB COc1ccc(C=O)cc1COc1nsnc1N1CCOCC1 16740559 CROIUBNTMJZFET-UHFFFAOYSA-N 335.385 1.775 0 40 EDAB C[C@@H]1Cc2cc([C@H](O)CN3CCCCC3)ccc2N1S(C)(=O)=O 19497865 VGCPWXJXJIRKQZ-CXAGYDPISA-N 338.473 1.917 0 40 EDAB CC1(C)C(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)C1(C)C 155254352 YKHVBLNYTBMCEX-SNVBAGLBSA-N 345.486 1.681 0 40 EDAB O=C1[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 341389 DAWJZTJNMMPJLJ-MCYUEQNJSA-N 339.269 1.511 0 40 EDAB COc1cncc(O[C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)n1 225394506 CJHOJMMVGKJFSO-LBPRGKRZSA-N 332.360 1.312 0 40 EDAB Cc1cc(=O)oc2cc(OC[C@H](O)CN3C[C@H](C)O[C@H](C)C3)ccc12 12635941 AGJBSEHSHCYFEH-QLFBSQMISA-N 347.411 1.950 0 40 EDAB Cc1nnsc1C(=O)N1CCC[C@H](S(=O)(=O)CC(C)C)C1 585146943 XGEINESKGWIDEF-NSHDSACASA-N 331.463 1.522 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)N1CCN(Cc2ccncc2)CC1 585149860 VZETXXHJEDXYMY-JKSUJKDBSA-N 344.459 1.134 0 40 EDAB O=C(O)C1CCN(C(=O)CCN2C(=O)COc3ccccc32)CC1 13425624 VJHYMTBMCGPBQZ-UHFFFAOYSA-N 332.356 1.125 0 40 EDAB Cc1nc(N2CCCC2)cc(N2CCN(c3ncc(F)cn3)CC2)n1 1888834060 XKCKEUCMMMOOOJ-UHFFFAOYSA-N 343.410 1.641 0 40 EDAB Cc1nsc(N2CCN(c3nc(O)cc(C(F)F)n3)CC2)n1 1888854189 GLFAUKFFFZMGFI-UHFFFAOYSA-N 328.348 1.606 0 40 EDAB Cc1cc(N2CCN(c3ncnc(C)c3C)CC2)nc(N(C)C)n1 1889084238 OQYIXSQZUWFJPY-UHFFFAOYSA-N 327.436 1.584 0 40 EDAB CCN=c1ccnc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)[nH]1 1889152046 CTHWDHSRDKKRCA-UHFFFAOYSA-N 338.419 1.237 0 40 EDAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ncncc3F)C[C@H]2C1 1146169668 IENIJGXTONEQHW-STQMWFEESA-N 348.403 1.373 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCOc1ccccc1 25908994 VOSPEFVGXRMSPN-OAHLLOKOSA-N 340.445 1.386 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2cnn(C)c2-n2cccc2)C1 32269968 RDHDNCYMZQQAIG-OAHLLOKOSA-N 345.447 1.297 0 40 EDAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC(n2nccn2)C1 888107089 ZOUMXXJJYAOUPL-UHFFFAOYSA-N 332.307 1.543 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cc(-c2ccccc2Cl)on1 2037885174 XJWXCOGCOLZEQQ-UXIGCNINSA-N 336.775 1.999 0 40 EDAB COc1cc(C(=O)N2CC3(CCN(C(=O)c4ccoc4)C3)C2)on1 1018958599 PMXHJAJHBDTXEF-UHFFFAOYSA-N 331.328 1.265 0 40 EDAB Cc1nc(N2CCCC2)cc(N2CCN(Cc3nc(C)no3)CC2)n1 2087124850 AEUIVPNSDPTJOZ-UHFFFAOYSA-N 343.435 1.399 0 40 EDAB O=C(c1cc[nH]n1)N1CCc2ccc(C(=O)N3CCCC3)n2CC1 1565546762 ADFBLCAULXKOPA-UHFFFAOYSA-N 327.388 1.146 0 40 EDAB COCCN1C[C@@H]2CN(C(=O)c3ccc4c(ccn4C)c3)C[C@@H]2C1=O 1565554568 AXURVMFVPSGFJK-CVEARBPZSA-N 341.411 1.355 0 40 EDAB CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)cc1 107553 HFXVWKTTZVPCDT-UHFFFAOYSA-N 334.723 1.730 0 40 EDAB CC(=O)Nc1ccc(SCC(=O)NCCc2ccccc2)nn1 11738672 UXTBXFWYKNUKKX-UHFFFAOYSA-N 330.413 1.886 0 40 EDAB CC(C)CNC(=O)C(=O)Nc1cc2c3c(c1)[C@H](C)C(=O)N3CCC2 12342446 QYLPYTRQDAKPPH-NSHDSACASA-N 329.400 1.794 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)C(=O)NCc1ccc2c(c1)OCO2 44225299 MUFPREBGARWPDW-NSHDSACASA-N 330.340 1.372 0 40 EDAB O=C(c1ccc(C(F)(F)F)cc1)N1CC(N2C(=O)[C@H]3C[C@H]3C2=O)C1 585388755 YKKFTIUWNSRAAF-TXEJJXNPSA-N 338.285 1.535 0 40 EDAB O=C(NC1CC1)[C@@]1(Cc2cccc(-c3cccnc3)c2)CNCCO1 72389349 XUYNYMNVQHFZKK-HXUWFJFHSA-N 337.423 1.928 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 96025937 FOXRTESRTASGOB-LLVKDONJSA-N 349.334 1.451 0 40 EDAB Cc1nc(-c2c[nH]c(C(=O)NCCCN3CCOCC3)c2)cs1 40474291 ZUYBZAAYFYEYQJ-UHFFFAOYSA-N 334.445 1.899 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCc1nnc2ccccn12 40461214 NLYIFDXYSBNUKG-OAHLLOKOSA-N 341.371 1.393 0 40 EDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 195572 WLWUEQXTBDTRDD-UHFFFAOYSA-N 338.838 1.864 0 40 EDAB O=C1C[C@@H](C(=O)NCCCCN2CCOCC2)c2ccc(F)cc2N1 40541036 DCOWSEJTRXNZCN-OAHLLOKOSA-N 349.406 1.480 0 40 EDAB CC1CCN(CCNC(=O)CN2C(=O)CSc3ccccc32)CC1 40534667 LQDVTKMRULESDC-UHFFFAOYSA-N 347.484 1.973 0 40 EDAB CCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1 101360895 DGUPNGRGMKZIAX-LLDVTBCESA-N 329.352 1.281 0 40 EDAB CCOCc1ccccc1NC(=O)NCCCNS(=O)(=O)CC 51641802 VNGMNLLWWVBUJX-UHFFFAOYSA-N 343.449 1.674 0 40 EDAB C[C@@H](NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccn1 102435821 ZOTLRZDIBCVUJR-MCIONIFRSA-N 327.384 1.600 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1F 29735267 QSXMVMCKZWKCOP-WFASDCNBSA-N 337.395 1.731 0 40 EDAB O=S(=O)(c1cc(F)ccc1F)N1CCCC[C@@H]1C1OCCO1 60348757 FNFBJLYXOIECHK-GFCCVEGCSA-N 333.356 1.881 0 40 EDAB COC(=O)c1ccc(CSc2nc(C)c(CCO)c(=O)[nH]2)cc1 11905771 SODWIWSCMDGZHG-UHFFFAOYSA-N 334.397 1.692 0 40 EDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)NCCc1ccc(OC)c(OC)c1 2647223 NVIQLUZGRZNMNF-NHYWBVRUSA-N 337.420 1.446 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C(=O)CCc3ccsc3)C2)n[nH]1 76060296 KEINOQXJJOYBKF-LBPRGKRZSA-N 332.429 1.909 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3COc4ccccc43)CCO2)n1 78889711 DIUZOLYQJRWLMU-ZFWWWQNUSA-N 342.399 1.833 0 40 EDAB Cc1cc(C(=O)NCc2ccccc2CN2CCC(O)CC2)n[nH]1 78994306 BLPCLQIYEPYOSO-UHFFFAOYSA-N 328.416 1.605 0 40 EDAB O=c1[nH]c(N2CCN(c3ncccc3Cl)CC2)nc2[nH]ncc12 97163764 UTWQGJCROZGWAY-UHFFFAOYSA-N 331.767 1.021 0 40 EDAB CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)NC(N)=O)c2ccccc21 6630318 AWRUHGVIHKHRQK-XFFZJAGNSA-N 340.339 1.306 0 40 EDAB Cc1csc(CCNC(=O)N2CCN(Cc3cc(C)on3)CC2)n1 46942599 YENIXBFDDVXOKW-UHFFFAOYSA-N 349.460 1.818 0 40 EDAB COC(=O)c1cccc(C(=O)OCC(=O)NCCc2ccccc2)c1 53868028 SMCUAVPWGYNLOH-UHFFFAOYSA-N 341.363 1.989 0 40 EDAB Cc1noc(CSc2ccc(C(=O)NCC(=O)NC(C)C)cc2)n1 23004367 WQDJCTCGXNTTFP-UHFFFAOYSA-N 348.428 1.925 0 40 EDAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc2nc(O)c(C)nn12 69743210 GZBYWIJBYZUWBC-SNVBAGLBSA-N 344.400 1.961 0 40 EDAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCCN(C)C(=O)OC 69777933 LFVHIORGZNMIKV-OAHLLOKOSA-N 348.399 1.591 0 40 EDAB Cc1ccccc1-n1cc(C(=O)N2CSC[C@H]2C(=O)N(C)C)cn1 69700300 NWMSSSYMBQDXAF-HNNXBMFYSA-N 344.440 1.784 0 40 EDAB Cc1ccc(CNC(=O)CCN2C(=O)COc3ccccc32)n1C 23575396 KZJSYDQZQOJRQP-UHFFFAOYSA-N 327.384 1.765 0 40 EDAB C[C@@H](NC(=O)c1ccccc1-n1ccnn1)[C@H](O)Cc1ccccc1 97107463 QIIIFWXLQXRVFB-RDTXWAMCSA-N 336.395 1.989 0 40 EDAB Cc1c([C@@H](C)NC(=O)Cn2c(=O)cnc3ccccc32)cnn1C 25000477 ZCJLQVGSNRAMCU-LLVKDONJSA-N 325.372 1.316 0 40 EDAB O=C([C@H]1CSCN1)N1CCN(Cc2ccc(Cl)s2)CC1 37799882 GCSWHYPVNSOSDO-LLVKDONJSA-N 331.894 1.708 0 40 EDAB CN(C)[C@H](CNC(=O)CNC(=O)c1ccccc1)c1ccsc1 25330885 FCNPVUWLLCQKFA-OAHLLOKOSA-N 331.441 1.897 0 40 EDAB O=C(NCC(=O)N1CCN(CCSc2ccccc2)CC1)C1CC1 56950736 VILGXJIJUSOENO-UHFFFAOYSA-N 347.484 1.449 0 40 EDAB O=S1(=O)CC[C@H](N(Cc2c(O)nnn2-c2ccccc2)C2CC2)C1 57085746 GOBMIUREKHAXBV-AWEZNQCLSA-N 348.428 1.124 0 40 EDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)OCCO2 3300443 NVDXBFKTBIMJAH-UHFFFAOYSA-N 344.367 1.895 0 40 EDAB CC(=O)N1CCCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 27565325 YVJDCNVEEYNQHZ-UHFFFAOYSA-N 334.807 1.631 0 40 EDAB CCOC(=O)CSCC(=O)/N=c1\cc[nH]n1Cc1cccc(C)c1 103535728 CYJHVHBGOLLDCR-XDJHFCHBSA-N 347.440 1.897 0 40 EDAB CS(=O)(=O)c1ccc(OCCCC(=O)NCc2cc[nH]n2)cc1 58264043 QNMVEWGYFIGRMD-UHFFFAOYSA-N 337.401 1.289 0 40 EDAB Cc1cccc(OC[C@H](O)CN2C(=O)C[C@@]3(CCSC3)C2=O)c1 58231101 ZKQZPMQDZCFCEI-CXAGYDPISA-N 335.425 1.617 0 40 EDAB C[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2147306 FPEZSOWXFMWHRB-VIFPVBQESA-N 331.324 1.250 0 40 EDAB biogenic CN1N=C(C(=O)NCCNc2ccc(C(F)(F)F)cn2)CCC1=O 44913477 AKTWKGUIOSAWOR-UHFFFAOYSA-N 343.309 1.237 0 40 EDAB Cc1nc(CCNC(=O)N2CCN(c3ncccn3)CC2)cs1 44967741 HJDCPQSFFQZTGT-UHFFFAOYSA-N 332.433 1.316 0 40 EDAB CCOc1c(Br)cc(F)cc1NCC(=O)NC(=O)NC 12798590 HVCJXEXXXNSELS-UHFFFAOYSA-N 348.172 1.854 0 40 EDAB CC(C)[C@@H](C(=O)NCc1ccc(C(N)=O)cc1)N1C[C@@H](C)O[C@H](C)C1 58327220 PGVWWLQGJVXNCF-CPUCHLNUSA-N 347.459 1.536 0 40 EDAB CC(=O)N1CCN(CCNC(=O)NCc2ccc(Cl)s2)CC1 48311147 BVDIXHUBKWZGBI-UHFFFAOYSA-N 344.868 1.365 0 40 EDAB Cc1nnnn1-c1cccc(NC(=O)NCCN2CCC(C)CC2)c1 45686728 PJWPVHXQBRYMKK-UHFFFAOYSA-N 343.435 1.824 0 40 EDAB CCCCOC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 11591344 BIBRXRFPRVBMSR-KRWDZBQOSA-N 332.356 1.560 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NCCc1cn2ccccc2n1 11534303 GEYPRAIIVZEACL-UHFFFAOYSA-N 347.378 1.403 0 40 EDAB Cc1ccc(CN(CCN(C)C)S(=O)(=O)N2CCCCC2)o1 59747233 AWHOKMNOYYWULN-UHFFFAOYSA-N 329.466 1.682 0 40 EDAB Cc1ccc(CN(C)C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)o1 29433166 NUXFTDCZNXFHDR-INIZCTEOSA-N 340.383 1.667 0 40 EDAB CCN1C[C@@H](C(=O)N2CCN(c3ccccc3OC)CC2)CC1=O 46113273 RYFVRFDZWZXYBL-AWEZNQCLSA-N 331.416 1.212 0 40 EDAB Cc1cc(C)n2nc(SCn3nnc4ccccc4c3=O)nc2n1 3467450 SPMGUYCGRWBRLE-UHFFFAOYSA-N 339.384 1.596 0 40 EDAB CC(C)CCNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3594686 ZZLRHNVPFZLODC-GOSISDBHSA-N 329.400 1.542 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(Cl)cc(Cl)c1N 3520660 YJBGUAKXAIGNOG-LURJTMIESA-N 348.186 1.967 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc2c(c1)OCO2 12986487 INMLPDQPKADGSP-SNVBAGLBSA-N 330.392 1.442 0 40 EDAB Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@@H]1CCCC[C@H]1C 69896790 WHLFJUPLQLIDAY-BXUZGUMPSA-N 341.415 1.773 0 40 EDAB NC(=O)COc1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1 13014212 GEZVVTXGDZWHOD-UHFFFAOYSA-N 336.351 1.989 0 40 EDAB NC(=O)[C@@H]1CN(CC(=O)NCC2(c3ccccc3)CC2)c2ccccc21 69811300 MEXWUOFXPFBAIR-QGZVFWFLSA-N 349.434 1.924 0 40 EDAB CC1(C)C[C@@H](NC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)CCO1 70666619 AMXGAQIDERYKNQ-LBPRGKRZSA-N 345.399 1.154 0 40 EDAB biogenic O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc2c(c1)CCC2 64345304 WHWYYAANAVJILX-HOTGVXAUSA-N 336.457 1.317 0 40 EDAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N1CCOCC1 8710948 HJRRLUXAPREMIC-LBPRGKRZSA-N 348.428 1.615 0 40 EDAB Cc1c(Cl)cccc1N1CCn2c1nc1c2c(=O)n(C)c(=O)n1C 13815657 XDLFPUMXRZKKOE-UHFFFAOYSA-N 345.790 1.547 0 40 EDAB O=C(CN1C(=O)C2(CCCC2)N=C1O)Nc1ccc2c(c1)OCCO2 5292781 UXFUMYXBLLHJLF-UHFFFAOYSA-N 345.355 1.465 0 40 EDAB NC(=O)[C@@H](CNC(=O)Cc1cccc(F)c1)Cc1ccc(F)cc1 65459429 CBLMINOBKPSUQN-CQSZACIVSA-N 332.350 1.968 0 40 EDAB O=C([C@@H]1CCOC1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 65494314 BWKBXHULNFFYSU-OAHLLOKOSA-N 342.399 1.417 0 40 EDAB CCCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 65536540 LRBHXHUCBZHEGM-MGPQQGTHSA-N 344.477 1.012 0 40 EDAB CN1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]1c1cccs1)C2=O 14137846 MJGNGDBLRJULDY-CYBMUJFWSA-N 348.472 1.859 0 40 EDAB C[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CCN(c2cccnc2)C1 65627110 NQZKXEGCRUHXOJ-STQMWFEESA-N 344.440 1.657 0 40 EDAB COc1ccc(CN2C[C@H](O)[C@H](O)C2)c(Br)c1OC 72311964 RPDWZQBACAEIMD-AOOOYVTPSA-N 332.194 1.004 0 40 EDAB O=S1(=O)C[C@@H]2NC(=S)N(c3cccc(Br)c3)[C@H]2C1 6645681 BKUSPAWVPHUXGK-UWVGGRQHSA-N 347.259 1.309 0 40 EDAB COC(=O)CCNC(=O)CN1C[C@@H](c2ccccc2)OCC1(C)C 66897045 SKXLXVPUOJBICN-HNNXBMFYSA-N 334.416 1.518 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N(CC)CC 5810318 UBMVNWDHDNJFIN-UHFFFAOYSA-N 336.388 1.227 0 40 EDAB CC(C)COC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 70034528 BJPAJBFAEACSKH-ZDUSSCGKSA-N 336.413 1.799 0 40 EDAB CC(C)(C(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccccc1F 69382537 KGHDJKYGAVXKEB-UHFFFAOYSA-N 342.436 1.644 0 40 EDAB Cc1noc([C@H](C)N2CCN([C@@H](C)C(=O)NC3CCCCC3)CC2)n1 69374220 MUISFFHVSBUUAP-KBPBESRZSA-N 349.479 1.894 0 40 EDAB CCNC(=O)CN1CCN(C(=O)C[C@H](C)c2ccccc2F)CC1 69349378 UJBMLGMRFMSHPM-AWEZNQCLSA-N 335.423 1.600 0 40 EDAB O=c1cc(COc2cccc(-n3cnnn3)c2)nc2sccn12 8388859 XBKODGGTXGRICD-UHFFFAOYSA-N 326.341 1.311 0 40 EDAB CCCN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 17066821 FYZILNMGFNKFBR-UHFFFAOYSA-N 326.447 1.408 0 40 EDAB CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(-n3cccn3)nc2)C1 69462364 QAHOXMPLWSHGBW-CYBMUJFWSA-N 342.403 1.647 0 40 EDAB O=C(CCN1CCN([C@@H]2CCC[C@H]2O)CC1)Nc1cccc(F)c1 69439131 DQZHNVDRIJHXTK-IAGOWNOFSA-N 335.423 1.685 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3cn4c(C)cc(C)nc4n3)CCO2)c1 69451674 HDBVRFVIBWJAES-KRWDZBQOSA-N 340.431 1.752 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)NCCc1ccc(F)cc1 69534203 DQWRWOVGZRRZRE-QGZVFWFLSA-N 345.422 1.631 0 40 EDAB CCOC(=O)NCCC(=O)NC(C)(C)c1ccc2c(c1)OCCO2 69537831 LBDSCJJUNGXHNV-UHFFFAOYSA-N 336.388 1.945 0 40 EDAB CCOCCN1CCN([C@@H](C)C(=O)Nc2cc(C)on2)C[C@H]1CC 69698098 DVNSUJLVKUORLR-LSDHHAIUSA-N 338.452 1.743 0 40 EDAB C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CC(n2cccn2)C1 71879054 OKVHMVPWVWOBEF-BBRMVZONSA-N 326.400 1.768 0 40 EDAB Cc1nc(C(F)(F)F)ccc1C(=O)NCC1(C(N)=O)CCOCC1 71811812 DTWYNHJPTINFSI-UHFFFAOYSA-N 345.321 1.421 0 40 EDAB CN1C[C@H](C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CC1=O 71886321 UTYJOXBXEDJWSB-DGCLKSJQSA-N 336.363 1.800 0 40 EDAB C[C@H](NCC1=NS(=O)(=O)c2ccccc2N1)[C@@H](C)n1cccn1 71882047 PFKJBIIDCLGLBF-NWDGAFQWSA-N 333.417 1.635 0 40 EDAB Cc1noc(CCCNC(=O)[C@@H]2CCCCN2Cc2ccncc2)n1 71883689 NNQBFIXRCKKBNY-INIZCTEOSA-N 343.431 1.877 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCC[C@H]1C1CCC1 84019362 WXWFKVHKIKEWAZ-HNNXBMFYSA-N 328.416 1.973 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 72279639 ZTVCHDNQDKCPCA-OAGGEKHMSA-N 349.475 1.087 0 40 EDAB O=C1CC[C@H](C(=O)OCc2nn(-c3ccccc3)c3c2CCC3)CN1 95385608 JYRXVLSOOFMXQP-ZDUSSCGKSA-N 339.395 1.930 0 40 EDAB CC[C@@H]1CN(C(=O)c2csc(COC)n2)C[C@H]1N1CCOCC1 84736148 HEJGOYIJHPQXHX-TZMCWYRMSA-N 339.461 1.472 0 40 EDAB CCOc1nnc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)s1 95402726 AQMRATHTXYDSSA-SECBINFHSA-N 336.421 1.138 0 40 EDAB O=c1c2cnn(-c3ccccc3)c2nnn1CC1(O)CCCCC1 95409591 PURGLKNJAAZJGK-UHFFFAOYSA-N 325.372 1.672 0 40 EDAB COC(=O)[C@@H](O)CNS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C 95449597 XGJLZWBYYCFENZ-ZDUSSCGKSA-N 343.445 1.413 0 40 EDAB CN1CCO[C@H](CN(C(=O)COCC2CC2)c2nccs2)C1 95402099 QWOXGGUFEUJCEP-ZDUSSCGKSA-N 325.434 1.233 0 40 EDAB C[C@@H](CC(=O)N1CCC[C@H]1CS(N)(=O)=O)Cc1cccc(F)c1 73619353 INZAYIKWNUEESX-DOMZBBRYSA-N 342.436 1.674 0 40 EDAB C[C@@H]1c2cc(F)ccc2CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 73728137 KCDQAOWEERMHTG-HIFRSBDPSA-N 347.434 1.682 0 40 EDAB O=C(CCc1ccccc1)N1CC[C@H](NC(=O)C2(O)CCCC2)C1 95990202 RCMZXZAOGMRLID-INIZCTEOSA-N 330.428 1.641 0 40 EDAB CCC(=O)N1CCCC[C@H]1C(=O)N1CCCN(c2ccccn2)CC1 95940495 GJSHKGQFUQJZDG-INIZCTEOSA-N 344.459 1.911 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(C)C)cc1C 408613110 ZHVGIQGKQKLVGI-ZDUSSCGKSA-N 342.461 1.833 0 40 EDAB Cc1nc(Cl)cc(N2CCCC[C@H]2CCNS(C)(=O)=O)n1 75103483 MZBZPBZACVYPRA-NSHDSACASA-N 332.857 1.737 0 40 EDAB CCn1cnnc1C1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 75603062 KXPYVVDRPVMMGD-ZDUSSCGKSA-N 331.420 1.015 0 40 EDAB O[C@H](CN1CCC(CNCCn2cncn2)CC1)c1ccccc1 75603048 FFFOVYIPAWGGJK-GOSISDBHSA-N 329.448 1.313 0 40 EDAB CSCC(=O)N1CCN(c2ncc(Br)cn2)CC1 43057526 GADSMPSRGVEWAI-UHFFFAOYSA-N 331.239 1.251 0 40 EDAB NC(=O)C1CCN(C(=O)C2CCN(Cc3ccccc3F)CC2)CC1 39762248 MQPNLSJHQXTAHX-UHFFFAOYSA-N 347.434 1.762 0 40 EDAB Cn1cccc1C(=O)NC[C@@H]1CN(CC2CCC2)Cc2ccnn2C1 306127757 GGKXQXHWGFGROK-MRXNPFEDSA-N 341.459 1.884 0 40 EDAB Cn1cnc([C@@H]2CN(C(=O)NCC(C)(C)C(C)(F)F)C[C@H]2N)c1 1553511624 FDLCTARJBSDFKU-GHMZBOCLSA-N 329.395 1.538 0 40 EDAB CC(C)N(C)c1cccc(NC(=O)NC[C@H]2CN(C)CCN2C)c1 77475937 SGXKFJODLRAYOO-KRWDZBQOSA-N 333.480 1.899 0 40 EDAB CC(C)CCNc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O 217595378 MHLRLQUPMFWZMA-UHFFFAOYSA-N 344.433 1.504 0 40 EDAB CCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC 217413371 KBRZMZGCTUYOLT-UHFFFAOYSA-N 330.406 1.522 0 40 EDAB O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nnn[nH]2)cc1 78772127 YISFXHNPWRCJSD-HNNXBMFYSA-N 348.366 1.402 0 40 EDAB Cc1cnc([C@H](C)NC(=O)N2CCN(C[C@H]3CCOC3)CC2)s1 79080910 WMMVZMIBTLLTDI-UONOGXRCSA-N 338.477 1.876 0 40 EDAB COc1ccc(C[C@]2(c3ccccc3)NC(N)=NC2=O)cc1OC 71975666 JBJUOQGLWLRTET-GOSISDBHSA-N 325.368 1.586 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@@H]1c1ncnn1Cc1ccccc1 225450624 ACTLPDNPPGFFCP-OAHLLOKOSA-N 348.428 1.192 0 40 EDAB Cn1ccnc1[C@@H](O)C1CCN(CC(=O)Nc2ccc(F)cc2)CC1 89925436 DPGQEIQLPDXLRI-KRWDZBQOSA-N 346.406 1.943 0 40 EDAB CC(=O)Nc1cccc(-n2cnnc2S[C@@H]2CCCCNC2=O)c1 46585361 QQEHTOOKEBNWBC-CQSZACIVSA-N 345.428 1.987 0 40 EDAB O=C([C@@H]1NCC12CCCC2)N1CCn2c(cnc2C(F)(F)F)C1 1580487498 WQDYFTUVUZMZFY-NSHDSACASA-N 328.338 1.776 0 40 EDAB O=C(Cn1cc(COc2cccc(F)c2)nn1)NC[C@H]1CCCO1 227169785 SAXVCVHBFQMJAK-OAHLLOKOSA-N 334.351 1.291 0 40 EDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)NCc1nnc2n1CCC2 81529447 RACRQVKPTNVARJ-ZDUSSCGKSA-N 340.431 1.774 0 40 EDAB Cn1nccc1C(=O)NCc1nnc2ccc(-c3cccs3)nn12 225764097 DAKTYANUQSLBSK-UHFFFAOYSA-N 339.384 1.516 0 40 EDAB Cc1nn(C)c2nccc(N3CCC[C@@H](S(=O)(=O)N(C)C)C3)c12 575603883 QOVSKRMBBYQCPU-GFCCVEGCSA-N 337.449 1.137 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)C[C@@]2(CNC(=O)C2)C1 96143285 GTWZNDOVCWJYPX-KRWDZBQOSA-N 349.818 1.151 0 40 EDAB Cn1c2c(ccc1=O)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2 96092485 YRRQUBPXZTVFNZ-CYBMUJFWSA-N 336.388 1.360 0 40 EDAB O=C(c1cnccn1)N1CCC[C@@]2(CCN(C(=O)c3ccco3)C2)C1 96047082 JTAFJCMJMRISMF-GOSISDBHSA-N 340.383 1.838 0 40 EDAB Cc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 96306511 BDXUPVXZKHRHGZ-LLVKDONJSA-N 339.399 1.530 0 40 EDAB COCCN1C(=O)CCC12CCN(C(=O)NCc1ccccc1)CC2 96228055 KXFRXLYXNJGYHP-UHFFFAOYSA-N 345.443 2.000 0 40 EDAB CC(C)n1cnc(C(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 583618902 DQVVUNSUVXTEKF-KRWDZBQOSA-N 346.435 1.760 0 40 EDAB Cc1cc(F)c(C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)cc1F 583615641 WMDYCHYAGHJDOR-JTQLQIEISA-N 348.353 1.561 0 40 EDAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)c1ccncc1F)C2 96214971 CVUKXYCGFCDPFH-OAHLLOKOSA-N 341.408 1.251 0 40 EDAB CS(=O)(=O)CCN1CCC(NC(=O)/C=C/C2CCCCC2)CC1 96410150 KBBUZYHGFPSMHB-BQYQJAHWSA-N 342.505 1.748 0 40 EDAB C1CO[C@H](COCCN2CCC(CCN3CCOCC3)CC2)C1 96421085 PJZFZDPNVFKYLN-SFHVURJKSA-N 326.481 1.616 0 40 EDAB Fc1cnc(N2CC[C@@H]3OCCN(Cc4ccncc4)[C@@H]3CC2)nc1 247536072 QMJKMJSJHHZVIW-SJORKVTESA-N 343.406 1.881 0 40 EDAB CNc1cc(N2CC[C@](O)(CNC(=O)c3cc(C)cs3)C2)ncn1 257326066 WVQURSPAGGRMIS-INIZCTEOSA-N 347.444 1.259 0 40 EDAB CS(=O)(=O)N1CCC(c2c(C(N)=O)sc3ncccc23)CC1 257238422 HKYIVDRYOZQCGW-UHFFFAOYSA-N 339.442 1.534 0 40 EDAB CCN(C)S(=O)(=O)N1CCN(c2c(C)cccc2Cl)CC1 585083732 CUAVRTRXCIJOPO-UHFFFAOYSA-N 331.869 1.967 0 40 EDAB CC(=O)N1[C@H]2CCN(C(=O)CCc3ccccc3)C[C@@H]2C[C@]1(C)CO 257319139 VQXYNFOGICPCIM-CMKODMSKSA-N 344.455 1.840 0 40 EDAB CCOc1oc(C)nc1C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 585121217 ISQLBBVSURYDEU-CYBMUJFWSA-N 335.404 1.760 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1cnn(C)c1 257336775 YPZNBKASMKOROB-KRWDZBQOSA-N 328.416 1.834 0 40 EDAB O=C(NCc1nnc2c(O)nccn12)c1cc2cc(Cl)ccc2[nH]1 253407575 WPMQKKLRFWFBGU-UHFFFAOYSA-N 342.746 1.895 0 40 EDAB Cn1ccc(C(=O)NCc2cn(-c3ccccc3C(=O)O)cn2)n1 257233390 GPCAFHUQQUEUJR-UHFFFAOYSA-N 325.328 1.234 0 40 EDAB CN1C(=O)CO[C@H]2CN(C(=O)c3ccccc3C(F)(F)F)C[C@@H]21 257203858 ARYNTCUAESUCFA-RYUDHWBXSA-N 328.290 1.387 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccc(OC)cc1 257311089 UHXAMSCJOHEZGF-SFHVURJKSA-N 326.400 1.723 0 40 EDAB CNc1cc([C@@H]2CCCN2C(=O)COc2cccnc2)nc(C)n1 257270019 MSMCEZWPGWOTKV-HNNXBMFYSA-N 327.388 1.964 0 40 EDAB Cn1cc([C@H]2CN(C(=O)NCc3cn4ccccc4n3)CCO2)cn1 267628962 PZBRVVQZYVRPCU-OAHLLOKOSA-N 340.387 1.351 0 40 EDAB CCc1noc([C@H](C)N2CCN(C(=O)Cc3cncs3)CC2)n1 275537286 YORGRWHGVCNGNM-NSHDSACASA-N 335.433 1.536 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cnn3c2OCCC3)CC1 90583966 QQFXQIGJTZBXKL-UHFFFAOYSA-N 336.392 1.359 0 40 EDAB C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NCCOCCN(C)C 1615587685 IYJGQKJLSCHHGC-AWEZNQCLSA-N 329.485 1.800 0 40 EDAB CCOc1cc(NC2CCN(c3nc(C)cc(O)n3)CC2)ncn1 1616039746 VWXUJSIWQPRONQ-UHFFFAOYSA-N 330.392 1.760 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1 298131336 HORVRAYTLFDCPX-OAHLLOKOSA-N 337.851 1.599 0 40 EDAB CCOCC(=O)N1CC2(C[C@H](OCc3cnccc3C)CCO2)C1 575403333 HIEZKTBSTREVTI-MRXNPFEDSA-N 334.416 1.703 0 40 EDAB COc1cccc(NC(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1 575606720 LDABEXHCRHJXHA-UHFFFAOYSA-N 345.407 1.334 0 40 EDAB CCCCN1CCC[C@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 585100086 FKZNNYVWSSBDHV-INIZCTEOSA-N 330.494 1.678 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NC1(c2nc(C(C)C)no2)CCOCC1 585142029 MPOZLQJWMRRCNQ-UHFFFAOYSA-N 347.419 1.979 0 40 EDAB Cc1cc(CN2Cc3ccnn3CC[C@H]2COc2cnccn2)n[nH]1 585097123 HPXGXSUEMKXTON-INIZCTEOSA-N 339.403 1.558 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CC[C@H](Oc2cnsn2)C1 828199711 CXJSNHCTNDDSEY-JTQLQIEISA-N 327.369 1.775 0 40 EDAB Cc1nc(NC(=O)CNS(C)(=O)=O)sc1-c1ccccc1 62266070 YRHDFFAWDZOAAE-UHFFFAOYSA-N 325.415 1.606 0 40 EDAB O=C(Cn1cnnn1)NCCCOc1ccc(Cl)cc1Cl 63261852 GJYSLEHXKBMIJQ-UHFFFAOYSA-N 330.175 1.565 0 40 EDAB NC(=O)c1ccc(C(=O)NCC(F)(F)C2(O)CCCCC2)cc1 1615057511 DYIMKVXGSSKZQF-UHFFFAOYSA-N 326.343 1.846 0 40 EDAB CNC(=O)[C@H]1CN(c2ccc(-c3ccccc3Cl)nn2)CCO1 1548438406 HEWIXSTXHVWVKS-CQSZACIVSA-N 332.791 1.748 0 40 EDAB C/C(Cl)=C\Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 13306216 PFBJZDSOCGWQMT-HWKANZROSA-N 333.573 1.328 0 40 EDAB COCc1cccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 17852917 GSBOISNWCDCABN-GFCCVEGCSA-N 348.424 1.971 0 40 EDAB Cc1ccc(S(=O)(=O)N(CCO)CCc2ccncc2)s1 19217279 GROSBRLYFWHGLG-UHFFFAOYSA-N 326.443 1.677 0 40 EDAB NC(=O)CCOc1ccccc1NS(=O)(=O)c1ccc(F)cc1 36397327 RDOMPVPSIHAXHJ-UHFFFAOYSA-N 338.360 1.881 0 40 EDAB CS(=O)(=O)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888843682 SGBLCQTZGUPGIW-AOOOYVTPSA-N 335.351 1.428 0 40 EDAB CCc1c(C)nc(C)nc1N1CCN(c2cc(=O)n(C)cn2)CC1 1888853367 MPYKWELJRUDCJR-UHFFFAOYSA-N 328.420 1.076 0 40 EDAB COc1cc(OC)nc(N2CCC(N(C)c3ccccn3)CC2)n1 1889104403 NPMNYVGPBDKQHU-UHFFFAOYSA-N 329.404 1.994 0 40 EDAB Cc1cc(N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)ncn1 1859823759 OQZSHSZPYXTIIM-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB O=C(CNCc1cc(Br)c2c(c1)OCO2)N1CCCC1 42207075 ZKHSYOJCDIXROK-UHFFFAOYSA-N 341.205 1.890 0 40 EDAB COc1ccc(CN2CCO[C@]3(CO[C@@H](C(=O)N(C)C)C3)C2)cc1 2056225798 CBOPZMYTDRVXCE-AEFFLSMTSA-N 334.416 1.143 0 40 EDAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2cccc(F)c2)cc1 9571155 OCUCQKMFJWTJOZ-UHFFFAOYSA-N 347.375 1.588 0 40 EDAB CC(C)CC(=O)N1CCC[C@@](C(=O)NCC2CC2)(n2ccnc2)C1 2055772050 SXIOSIWISVFYCM-GOSISDBHSA-N 332.448 1.773 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2ccccc2C)C1 2055772589 ZHENWGOXJUGVMW-LJQANCHMSA-N 340.427 1.498 0 40 EDAB O=C(NCc1ccco1)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713473 UCBVQLLSEJJBND-ZDUSSCGKSA-N 342.399 1.591 0 40 EDAB Cc1cccc(CC(=O)NC2C[C@@H]3CC[C@H](C2)N3S(C)(=O)=O)c1 225664679 ROPNWHCSNURGJC-MQVJKMGUSA-N 336.457 1.609 0 40 EDAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)/C=C/c2ccco2)CC1 585322459 NUNOKDNPHZAIDJ-SNAWJCMRSA-N 349.412 1.491 0 40 EDAB COc1ccccc1S(=O)(=O)NC[C@@H]1CCCN1c1ncccn1 618256452 ILGPRLCLHVZTSI-ZDUSSCGKSA-N 348.428 1.433 0 40 EDAB Cc1cccc(S(=O)(=O)NCC2CCN(C(=O)N(C)C)CC2)c1 390832021 WQZNLCMPNRUDRM-UHFFFAOYSA-N 339.461 1.667 0 40 EDAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(C)c(O)n2)cc1 378576 MDLTYXDLGLRUKF-UHFFFAOYSA-N 348.384 1.793 0 40 EDAB CCOC(=O)c1cc(S(=O)(=O)Nc2cccc(OC)c2)n[nH]1 21096330 SAWCVAXEIKWBSW-UHFFFAOYSA-N 325.346 1.396 0 40 EDAB CC(=O)N1CCN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 51087347 CCLSOOXSUUPWPX-INIZCTEOSA-N 330.432 1.178 0 40 EDAB CN(CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)S(C)(=O)=O 40510414 VRBSZWNUKRRSCH-UHFFFAOYSA-N 347.440 1.675 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)on1 31952733 RAWZAPUDWRBRPE-UHFFFAOYSA-N 327.384 1.876 0 40 EDAB O=C(CCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccccc1 200608 OCSIHDPNAJCABI-UHFFFAOYSA-N 329.381 1.458 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 52052762 RNBKPRVBWLLKRA-UHFFFAOYSA-N 336.457 1.212 0 40 EDAB O=C(O)c1cc(NS(=O)(=O)c2cn[nH]c2)cc(C(F)(F)F)c1 52471843 NLKQLBNVJHFKQT-UHFFFAOYSA-N 335.263 1.928 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2)nc1 32934150 FTYCDNKNNNFOBW-ZDUSSCGKSA-N 338.433 1.044 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NCCNC(=O)CC1CCCCC1 69562549 YXKJJADBNDZFLJ-UHFFFAOYSA-N 335.452 1.648 0 40 EDAB CCn1nnc(NC(=O)COc2ccc(Br)cc2)n1 558645 PHQGPTNTYRCCLJ-UHFFFAOYSA-N 326.154 1.473 0 40 EDAB C[C@@H](N[C@H]1CCCN(Cc2noc(C3CC3)n2)C1)C(=O)NC1CC1 69624789 FYRTWLRMXBWHDZ-RISCZKNCSA-N 333.436 1.168 0 40 EDAB C[C@H](CNc1cnn(C)c(=O)c1Br)CC1(C)OCCO1 76063403 NROXVDBVRHLTEO-VIFPVBQESA-N 346.225 1.744 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1c[nH]nc1C 78898780 QYZWFSZFHYGESF-HIFRSBDPSA-N 328.482 1.646 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)[C@@H](N(C)Cc2cnn(-c3ccccc3)c2)C1 79396289 GZATUMDTWSEAQV-XIRDDKMYSA-N 329.400 1.617 0 40 EDAB NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)cn1 79960054 ZQRVXKYDPFHICX-ZDUSSCGKSA-N 344.802 1.843 0 40 EDAB CN(CC(N)=O)CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 52832053 VZPJFZIQJIJNHO-GOSISDBHSA-N 345.830 1.963 0 40 EDAB COc1ccc(Nc2nc3nonc3nc2N2CCOCC2)cc1 522792 IFVDQLLOARMPGO-UHFFFAOYSA-N 328.332 1.602 0 40 EDAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(-n2cnnn2)c(C)c1 4216490 GLHJGNNOJBZKQY-CYBMUJFWSA-N 335.433 1.924 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@H]12 6216989 CMCZQHNDMQTNPH-ZXFNITATSA-N 327.336 1.371 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 7077706 YDUBCLREPOFARP-VIFPVBQESA-N 335.809 1.969 0 40 EDAB Cn1ncc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c1C(N)=O 2802998 ULEQERHDHMIUOG-VIFPVBQESA-N 345.403 1.910 0 40 EDAB COc1ccc(F)cc1C(=O)COC(=O)Cn1c(C)csc1=O 7700366 OISVKOSNZMAHFF-UHFFFAOYSA-N 339.344 1.792 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1 107710982 PQTHIZFCXIFCRK-RBSFLKMASA-N 328.372 1.688 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN(CC(=O)N(C)Cc3ccco3)C2)o1 84258676 ODRHQKQEAYKPCZ-HNNXBMFYSA-N 346.431 1.741 0 40 EDAB COCCCNC(=O)c1cc(Br)ccc1-n1cnnn1 12322368 SPXMPFDNPSQTJJ-UHFFFAOYSA-N 340.181 1.191 0 40 EDAB Cc1nc(NCCC(=O)N2C[C@H](C)O[C@H](C)C2)c2cnn(C)c2n1 54060998 YBWFPVQBBYWPTN-PHIMTYICSA-N 332.408 1.110 0 40 EDAB COCCOc1ncccc1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 54084262 IYJZFHJLOOFWDT-CQSZACIVSA-N 346.387 1.735 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 10518800 DDSVJJSQGAHUGE-UHFFFAOYSA-N 338.410 1.085 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c2ccccc21 69656737 QNHHJXSREZITRS-CZUORRHYSA-N 349.390 1.655 0 40 EDAB C[C@@H](OCC1CC1)C(=O)N1CCN(C(=O)Cc2ccccn2)CC1 69665485 SGSWCFXLPIBRDO-CQSZACIVSA-N 331.416 1.110 0 40 EDAB CS(=O)(=O)N1CCO[C@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]21 108534332 VWODEDXETFXYSQ-GJZGRUSLSA-N 344.864 1.575 0 40 EDAB O=C(Cn1c(=O)c2ccccc2n2nncc12)NCc1ccccc1 2715896 ZDTNDPQYMFEHEN-UHFFFAOYSA-N 333.351 1.361 0 40 EDAB CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)CC 59490274 ZSAWWCYTLXZDGP-GFCCVEGCSA-N 328.434 1.766 0 40 EDAB O=C1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)N1 106850270 CORMXUDPMGYNJU-IAQYHMDHSA-N 337.370 1.324 0 40 EDAB COC(=O)C1(C(=O)OC)CCC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 1442027 FDKRHTPAJMMPHI-CYBMUJFWSA-N 335.312 1.764 0 40 EDAB CC(C)Cc1nnc(NC(=O)Cn2nnc3ccccc3c2=O)s1 25445488 QPTDPBMAAZVICR-UHFFFAOYSA-N 344.400 1.480 0 40 EDAB C[C@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)C[C@H](C)O1 25765397 DPEWOLCAXXDJNA-STQMWFEESA-N 325.434 1.480 0 40 EDAB COCCCNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113941434 FHSLTFHKJUTVDN-LLVKDONJSA-N 348.852 1.647 0 40 EDAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 44577070 JWJFNCWGFWQPFH-CYBMUJFWSA-N 325.372 1.431 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(Cn2cccn2)cc1 44722861 XZBHUFCWFYQXKX-CQSZACIVSA-N 333.413 1.096 0 40 EDAB COCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(C)c1)C2 108534156 POYPLFRLDNENQG-UHFFFAOYSA-N 330.428 1.983 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccc(F)cc1 58281965 DFFVPOWQJOYCHI-UHFFFAOYSA-N 348.399 1.866 0 40 EDAB NC(=O)CN1CCCN(C(=O)c2ccc(SC(F)F)cc2)CC1 58226883 BUGKNNOXRPTRLT-UHFFFAOYSA-N 343.399 1.635 0 40 EDAB O=C(Cn1cncn1)NCc1ccc(Cn2cnc3ccccc32)cc1 58289290 QPDYINKKCDSQND-UHFFFAOYSA-N 346.394 1.993 0 40 EDAB CCN1CCN(c2ccc(C(=O)NC3=NCCS3)cc2F)CC1 58217425 IZGLZUPTCGRKHK-UHFFFAOYSA-N 336.436 1.800 0 40 EDAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CCS(=O)(=O)C1 48275177 YMLNRSWRNVOAPN-LLVKDONJSA-N 337.426 1.502 0 40 EDAB COc1ccccc1[C@@H](NC(=N)NC[C@@H]1CCCO1)c1nccn1C 58329466 YVIMXXNOFXLTBE-XJKSGUPXSA-N 343.431 1.811 0 40 EDAB CNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)(F)F)cc2)C1=O 58364105 NZWPPBQFVNRYQK-CYBMUJFWSA-N 345.277 1.098 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)CCCc2nc(-c3ccccc3)no2)C1 48277544 GXXGRHIKYXLVJY-AWEZNQCLSA-N 342.399 1.783 0 40 EDAB Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2N)no1 3390655 LKCAPSFACFNBAW-UHFFFAOYSA-N 331.361 1.081 0 40 EDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(Cl)cc1F 36383776 UGGZLQRAMSAXEX-UHFFFAOYSA-N 339.798 1.972 0 40 EDAB Cc1c(C(=O)OCc2nc(N)nc(N(C)C)n2)oc2ccccc12 11322445 SKSUZFQMTOEUQZ-UHFFFAOYSA-N 327.344 1.931 0 40 EDAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ncccn1 11331852 HHJOQQJJIAKSBO-SNVBAGLBSA-N 338.323 1.502 0 40 EDAB CN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 45744674 AFIHNGITIJIBTF-UHFFFAOYSA-N 330.715 1.465 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCOc2cccc(F)c2)C1 29205085 WXUIUTFHWAFKTJ-CYBMUJFWSA-N 344.408 1.135 0 40 EDAB COCCN1CCN(CCS(=O)(=O)c2ccccc2)C[C@@H]1C 69739689 PJQCSBGYPHLFQP-HNNXBMFYSA-N 326.462 1.113 0 40 EDAB CN(C)CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl 69704194 BOVUHFSJGFIHMN-UHFFFAOYSA-N 348.628 1.719 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCN(C[C@H]2CCCO2)CC1 38720658 BHAKZKVWBSMCAJ-GFCCVEGCSA-N 346.353 1.225 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1cccc3c1OCO3)C2 69970170 LJALLZXQUIXTLQ-UHFFFAOYSA-N 326.356 1.836 0 40 EDAB Cc1cccn(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O 49751809 IYNIJCVARYEWJH-UHFFFAOYSA-N 329.375 1.645 0 40 EDAB O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc2[nH]ccc2c1 13720162 DUWXJKRQNJNXNR-UHFFFAOYSA-N 328.372 1.235 0 40 EDAB Cn1ccnc1[C@H](NC(=O)N1CCC(O)CC1)c1cccc(F)c1 65452490 HOWPORVBLTYUSL-OAHLLOKOSA-N 332.379 1.815 0 40 EDAB Cc1cc(NC(=O)CN2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)on1 65576589 CFSFFEMVXQIKET-AAEUAGOBSA-N 328.372 1.789 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@H]1CCc2nnc(C)n2C1 65530282 XWQXXJFIWQOIFJ-ZDUSSCGKSA-N 337.387 1.220 0 40 EDAB CN(C)c1nc(N)nc(CSc2nnnn2C2CCCCC2)n1 14141004 ZVFFOOUHFXPVNG-UHFFFAOYSA-N 335.441 1.304 0 40 EDAB CC(C)N(CCC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 65622707 KBCPFOJCBATWID-GFCCVEGCSA-N 348.465 1.325 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)no1 65620935 GHVICUCQULFSTR-ZDUSSCGKSA-N 346.387 1.776 0 40 EDAB O=C(/C=C/c1c(F)cccc1Cl)OCC(=O)N1CCNC1=O 5564285 JNJSQRQDTRFWJU-SNAWJCMRSA-N 326.711 1.587 0 40 EDAB CCc1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21 6679526 SHBYRJCINJZUAE-UHFFFAOYSA-N 343.408 1.963 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1F 4940598 RTDUGJGYIQNXCI-UHFFFAOYSA-N 348.355 1.917 0 40 EDAB CCN(CC)C(=O)Cn1c(=O)n(CCCOC)c(=O)c2ccccc21 4999942 DRQIAXJUBOOJBM-UHFFFAOYSA-N 347.415 1.068 0 40 EDAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]12 4904583 LJIVJJIPUXDHPN-MNOVXSKESA-N 335.747 1.029 0 40 EDAB O=C(NCC(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCO2 5937621 SWENHBZZXDMYQC-UHFFFAOYSA-N 338.363 1.730 0 40 EDAB CN1C(=O)N[C@@](NC(=O)c2ccccc2Cl)(C(F)(F)F)C1=O 7058186 ANXGPRFPEHZJGL-LLVKDONJSA-N 335.669 1.510 0 40 EDAB CNC(=O)[C@H]1CN(Cc2ccc(C(=O)OC)cc2)c2ccccc2O1 7252481 IWLXRUVZEVLNFA-QGZVFWFLSA-N 340.379 1.987 0 40 EDAB CCCCn1c(SCC(=O)NCc2ccc(F)cc2)n[nH]c1=O 7344821 QLVDGBUOCOFDRM-UHFFFAOYSA-N 338.408 1.919 0 40 EDAB C[C@H](NC(=O)CN(C)S(C)(=O)=O)c1cccc(Br)c1 22606732 RPJHIXREEOULSX-VIFPVBQESA-N 349.250 1.518 0 40 EDAB Cn1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 7696839 CQZQNMRRCGUJDJ-UHFFFAOYSA-N 334.401 1.457 0 40 EDAB COc1cccc(CNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 25422293 HFIBIGZFUCTNOZ-HUUCEWRRSA-N 328.368 1.263 0 40 EDAB CN(C)S(=O)(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 96005815 WCNBKMYLOFJDIH-LBPRGKRZSA-N 338.351 1.885 0 40 EDAB COc1ccc(CNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1OC 8134377 MWGMKMGQDYVHQM-GFCCVEGCSA-N 327.402 1.145 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 69286661 SYGLQWPBBZMHMU-OAGGEKHMSA-N 337.464 1.005 0 40 EDAB CN(Cc1nnc2ccccn12)C(=O)COCCOc1ccccc1 69349388 ASUKZLQNWSITNA-UHFFFAOYSA-N 340.383 1.783 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(CC(=O)NC(C3CC3)C3CC3)CCO2)n1 69350022 LDUXDZJWAHHZHI-KRWDZBQOSA-N 346.475 1.506 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)n1 69350221 DYMKWHAZMDJDIK-UHFFFAOYSA-N 329.360 1.313 0 40 EDAB CCn1ccnc1CN1CCN(CC(=O)Nc2ccncc2)CC1 69485580 AZOQWEOUWNJUIT-UHFFFAOYSA-N 328.420 1.054 0 40 EDAB CC(C)(C)OC(=O)N1CC(OC(=O)CC2(CS(C)(=O)=O)CC2)C1 72310654 UJTJJJBNIFHMPU-UHFFFAOYSA-N 347.433 1.364 0 40 EDAB Cc1ccccc1-c1noc(CN2CCc3nn(C)c(=O)cc3C2)n1 72302309 FFGYLYAUCBEJBX-UHFFFAOYSA-N 337.383 1.697 0 40 EDAB NC(=O)c1ccc(=O)n(Cc2ncc(-c3cccc(Cl)c3)o2)n1 71803682 HQLAWYUBIUXWHY-UHFFFAOYSA-N 330.731 1.699 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)CS(=O)(=O)C2CCCC2)c1 71869838 HLDQTVGUUJZAOP-AWEZNQCLSA-N 339.461 1.540 0 40 EDAB O=C(Cc1csc(-c2nc[nH]n2)n1)N1CCC[C@H]1Cn1cccn1 71872019 IXPRXOSLMLUBPT-LBPRGKRZSA-N 343.416 1.358 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@@](C)(NC(C)=O)C2CC2)C1 71870830 ARVMUITULZFBAB-YJBOKZPZSA-N 332.448 1.914 0 40 EDAB CCc1ccc(-c2noc(CN3CCN(C[C@H](C)O)CC3)n2)cc1 71847300 UZLTYLUIJBSYSU-AWEZNQCLSA-N 330.432 1.797 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccccc1S(C)(=O)=O 71899992 AVXIVFUUDZMIGJ-SNVBAGLBSA-N 335.429 1.931 0 40 EDAB COCCCNC(=O)C1CCN([C@H](C(N)=O)c2ccccc2)CC1 71821809 MNUFGUNFJCVUPY-INIZCTEOSA-N 333.432 1.078 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](C(C)C)N2CCc3ccccc3C2)CC1 71826924 CDQKVXIGUDKHRM-IBGZPJMESA-N 343.471 1.760 0 40 EDAB Cc1csc(NC(=O)CN2CCc3ncnc(N(C)C)c3C2)n1 97202588 RHCVUJZBXXETIX-UHFFFAOYSA-N 332.433 1.304 0 40 EDAB CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 19920641 IVMIBJIEYGNNOD-ZDUSSCGKSA-N 335.835 1.857 0 40 EDAB CN(CCN1CCCC1=O)Cc1nc(-c2ccc3c(c2)OCO3)no1 83860898 SAWNHPVZFVYOQU-UHFFFAOYSA-N 344.371 1.520 0 40 EDAB CC1CCN(C(=O)COC(=O)c2ccn(-c3ccccc3N)n2)CC1 71914268 ARFAXRWBSBMZFZ-UHFFFAOYSA-N 342.399 1.870 0 40 EDAB CON(C)C[C@@H](O)Cn1cc(Nc2ncnc3cccc(F)c23)cn1 71915182 JCVYRKKDVODELJ-GFCCVEGCSA-N 346.366 1.563 0 40 EDAB COC(=O)C[C@H](C)NC(=O)CCc1c(C)nc2cc(C)nn2c1C 96972755 FESVZWARPIZHHC-JTQLQIEISA-N 332.404 1.655 0 40 EDAB O=S(=O)(CCNC1CC(c2ccccc2)C1)N1CCSCC1 97084827 ZFWWENIXWIKNER-UHFFFAOYSA-N 340.514 1.901 0 40 EDAB O=C(CN(CCO)[C@H]1CCc2ccccc21)NCc1cccnc1 72284952 ZGTMOAJIKNQENU-SFHVURJKSA-N 325.412 1.680 0 40 EDAB Cc1ccc2oc(C(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)cc2n1 72269362 FMFVXRGWXHZKJL-CABCVRRESA-N 329.400 1.807 0 40 EDAB OC[C@H]1CCCN1c1cc(NCc2ccc3c(c2)OCO3)ncn1 72275956 OLKRQZYPSKFWTL-CYBMUJFWSA-N 328.372 1.779 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CCC(=O)N2 84582104 YEAFCCNJKCMHMR-KRWDZBQOSA-N 349.390 1.624 0 40 EDAB C[C@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CCOCC1 95416365 GSHUBCCFPFNGGA-YJBOKZPZSA-N 332.444 1.991 0 40 EDAB C[C@H](Cc1ccsc1)NCCS(=O)(=O)N1CCSCC1 95967811 PQAASPFVOIHQQW-GFCCVEGCSA-N 334.532 1.647 0 40 EDAB CN1CCN(C[C@@H](NC(=O)NCc2ccon2)c2ccccc2)CC1 89382685 DBAKRGZNLVTADN-QGZVFWFLSA-N 343.431 1.463 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1n[nH]c2ccccc12 89486718 JVUMIFFJHRPBCR-LLVKDONJSA-N 336.417 1.107 0 40 EDAB CCc1nc(Cl)c(C)c(N[C@@H]2CCCN(S(C)(=O)=O)C2)n1 75092944 MKAIXLOWIKULCU-SNVBAGLBSA-N 332.857 1.837 0 40 EDAB O=C1NCC[C@H]1Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 179044629 NNWAJJPVIBDKHY-QGZVFWFLSA-N 348.410 1.883 0 40 EDAB Cn1ccnc1CNC(=O)NCc1nnc(-c2ccccc2)s1 89761452 QOVXWOQWKUQPNN-UHFFFAOYSA-N 328.401 1.938 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)n1 89893618 QVWXPQGBDSRXSZ-KGLIPLIRSA-N 336.436 1.967 0 40 EDAB O=S(=O)(c1ccc2cn[nH]c2c1)N1CCC(n2cccn2)CC1 89885013 DISRFSITNLZUFL-UHFFFAOYSA-N 331.401 1.785 0 40 EDAB CCCn1nnnc1CN1CCC[C@@H](c2ccnc(COC)n2)C1 89960684 ICVUYDFTSKNUGK-CYBMUJFWSA-N 331.424 1.399 0 40 EDAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCCN(C)C)cc1 408705867 OZYIJECGRJQWHN-UHFFFAOYSA-N 327.450 1.154 0 40 EDAB O=C(CCn1cccn1)N1CC[C@H](Nc2ccc3nccn3n2)C1 519568118 SIZAZHFDXSAANK-ZDUSSCGKSA-N 325.376 1.029 0 40 EDAB CCc1nc(CN(C)S(=O)(=O)c2cccnc2C(=O)O)cs1 514671160 USWCUOTWFBBNFF-UHFFFAOYSA-N 341.414 1.619 0 40 EDAB Cc1nc(C2CCN(C(=O)c3cnn4c3CCCC4)CC2)cc(=O)[nH]1 72152968 ZMQYLLDYLAGFCA-UHFFFAOYSA-N 341.415 1.631 0 40 EDAB CC(=O)N[C@@](C)(Cc1ccc(OC(C)=O)c(OC(C)=O)c1)C(=O)O 3852309 HAKWNFAAZYTBIV-INIZCTEOSA-N 337.328 1.059 0 40 EDAB biogenic Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1CCOCC1 32251878 YZRQMPQBKRVBBJ-WMZOPIPTSA-N 329.444 1.462 0 40 EDAB CCN1CCN([C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)CC1 36633891 GPPGRSHTCMNRLU-MRXNPFEDSA-N 329.444 1.881 0 40 EDAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCC3CCOCC3)C2)n1 79501744 DTDHHRYUARKSAA-MRXNPFEDSA-N 332.448 1.853 0 40 EDAB NCC(=O)N1CCC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79412574 YQSZCXPKKINXLA-MRXNPFEDSA-N 331.416 1.737 0 40 EDAB Cc1nc(NCC2CCOCC2)cc([C@H]2CCN2S(C)(=O)=O)n1 72387107 DWEXEJJASCZFRS-CQSZACIVSA-N 340.449 1.330 0 40 EDAB O=c1ccccn1CCCNS(=O)(=O)c1cccc(Cl)c1 32934608 DDJDALAPGPYWNC-UHFFFAOYSA-N 326.805 1.870 0 40 EDAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)N2CCCC2)cc1 40267038 HAYGPLRNPRSOMH-UHFFFAOYSA-N 326.356 1.212 0 40 EDAB CC1(C)Oc2ccc(S(=O)(=O)NCc3ccccn3)cc2NC1=O 46089318 DYHDYRFKXGMWFI-UHFFFAOYSA-N 347.396 1.670 0 40 EDAB O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)[C@H]1C[C@@H]1c1ccco1 84838801 HVWLGKDBFBSPKW-KBPBESRZSA-N 338.429 1.456 0 40 EDAB O=C(Cn1cccc(C(F)(F)F)c1=O)NC1(C(=O)O)CCCCC1 84339000 JLCHOVYKSXPLKA-UHFFFAOYSA-N 346.305 1.771 0 40 EDAB Cc1nc(CC2CC2)sc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 191405696 JNGALHLCSMWNNR-AWEZNQCLSA-N 328.459 1.711 0 40 EDAB COc1ccc(S(=O)(=O)NCC(C)C)cc1N1CCCC1=O 44849099 PUCNQSASLDQAKJ-UHFFFAOYSA-N 326.418 1.756 0 40 EDAB O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1cc2ccccc2[nH]1 225800670 NBNBNUZHGXAOHD-UHFFFAOYSA-N 335.323 1.836 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)CCN2CCNC(=O)CC2)cc1 96445710 QUTUKKMCWHYDQT-UHFFFAOYSA-N 338.473 1.580 0 40 EDAB Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)Cc2nc(C3CC3)no2)o1 577563584 WVKXBRVQNHEXDI-RYUDHWBXSA-N 336.371 1.687 0 40 EDAB COCCO[C@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1Cc1ccncc1 96200768 ABAQUDLNJISWKZ-ULQDDVLXSA-N 334.416 1.293 0 40 EDAB CN1C(=O)C[C@H](c2ccncc2)C12CCN(C[C@@H]1CCOC1)CC2 96069798 OULAWYYDOZYMPN-DOTOQJQBSA-N 329.444 1.898 0 40 EDAB CC(C)C(=O)N1CCN(Cc2ccncc2)C[C@]2(CC(=O)N(C)C2)C1 96036060 RQNGGLVGGLFLSY-LJQANCHMSA-N 344.459 1.230 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)c(C)o1 96110955 VUTSMDQELWBGIG-QAPCUYQASA-N 334.416 1.317 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cnn(CC(C)C)c3)C2)no1 96192184 MOYPDPURJARUJD-GFCCVEGCSA-N 331.376 1.827 0 40 EDAB Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3nccs3)C[C@H]21 96054356 GKLNJWJOJCEMGE-CABCVRRESA-N 334.445 1.833 0 40 EDAB CN(C)C(=O)Cn1cc(C(=O)OC[C@H]2CCCc3ccccc32)nn1 96404093 KAILLYOMCGJRED-CQSZACIVSA-N 342.399 1.643 0 40 EDAB CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC[C@@H]1CN2CCN1CC2 96495731 MASZJQVYNDRAFD-GFCCVEGCSA-N 342.365 1.245 0 40 EDAB Cc1ncoc1C(=O)N1C[C@@H]2COC[C@]2(c2nnc(C3CC3)o2)C1 96110131 WAMPSNPARDOPJQ-BDJLRTHQSA-N 330.344 1.284 0 40 EDAB Cc1cc(C(=O)N2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)no1 96065932 FZTRXLHRIACILE-ZACQAIPSSA-N 343.383 1.967 0 40 EDAB Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)NC2CC2)cs1 96064708 IIPSBKWBYQYQCX-ZIAGYGMSSA-N 334.445 1.889 0 40 EDAB O=C(N1CCCC1)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 96048733 IKPCYARCJZECKQ-QGZVFWFLSA-N 329.404 1.511 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@@H]12)NCC1CC1 96057170 LVRTYQSYHFFKII-NUJGCVRESA-N 329.444 1.692 0 40 EDAB O=C1[C@@H](Sc2nnnn2CCc2cccs2)CCN1C1CC1 96452429 SNAIZMGHGBAZEL-LBPRGKRZSA-N 335.458 1.833 0 40 EDAB O=C1NC[C@H](COc2cccnc2)[C@]12CCN(Cc1ccccn1)C2 96219198 TXUFNOPADISDAF-DNVCBOLYSA-N 338.411 1.494 0 40 EDAB CSCC[C@H](NC(=O)CCn1cnnn1)c1nc2ccccc2[nH]1 583652485 VOIOOTUOMSSGCF-ZDUSSCGKSA-N 345.432 1.550 0 40 EDAB O=C(C1CCOCC1)N1CCCn2nnc(COCC3CC3)c2C1 96058861 JHOPZTLUHIPFKU-UHFFFAOYSA-N 334.420 1.364 0 40 EDAB Cc1ccccc1S(=O)(=O)N1CC2(CC[C@H](CN(C)C)CO2)C1 248103748 IDTXAQALTYEERA-OAHLLOKOSA-N 338.473 1.726 0 40 EDAB CC1(C)CNC(=O)[C@H]1OC(=O)c1cc(S(C)(=O)=O)ccc1Cl 585136131 SAHPGYZYMAACFW-LLVKDONJSA-N 345.804 1.425 0 40 EDAB COC(=O)[C@H](CNC(=O)c1cccnc1)Cc1ccc2c(c1)OCO2 585146012 LOXBSDLFRXZKDA-AWEZNQCLSA-N 342.351 1.572 0 40 EDAB COC(=O)Cc1cc(=O)oc2cc(OCc3nonc3C)ccc12 585122885 FYNRJDVSWPFBLS-UHFFFAOYSA-N 330.296 1.779 0 40 EDAB COC(=O)[C@H](c1cccc(O)c1)N(C)CC1(CS(C)(=O)=O)CC1 585116227 MPHILGKPGBLTKX-AWEZNQCLSA-N 341.429 1.363 0 40 EDAB CC[C@H]1C(=O)NCCN1Cc1nnn(-c2ccccc2)c1C1CC1 585117599 MONNNZUUKBHFOK-INIZCTEOSA-N 325.416 1.855 0 40 EDAB O=C(N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O)C1(c2ccccc2F)CC1 257306928 SWPHREZYHLKCCH-BRWVUGGUSA-N 348.418 1.198 0 40 EDAB COc1cc(CCC(=O)NCc2cnc([C@H]3CCCCO3)nc2)on1 257244543 ILVAZDXNHVZUFH-CQSZACIVSA-N 346.387 1.964 0 40 EDAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)CN2CCCCCC2=O)[C@H]1O 257297835 RIYMLDOPGRIBNY-CKEIUWERSA-N 326.437 1.166 0 40 EDAB CC(=O)NCc1cnc(CC2CCN(Cc3cc[nH]n3)CC2)cn1 257290546 QDJWXTVYAAWSAX-UHFFFAOYSA-N 328.420 1.291 0 40 EDAB O=C(CC1(O)CCCCC1)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257259522 KYTGIHZGLFTJDE-JFIYKMOQSA-N 338.492 1.956 0 40 EDAB O=C1[C@@H](N2C(=O)[C@H]3CCCN3C2=O)CCN1Cc1ccc(F)cc1 253431628 HROHDBJJOHSSLN-KGLIPLIRSA-N 331.347 1.353 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)N[C@H]2CCCOc3ccccc32)C1 252477732 UVCDNRDOBUBWRT-ZBFHGGJFSA-N 332.448 1.445 0 40 EDAB Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)N3CCNC3=O)CC2)n1 252527490 CRCMEFSQLYXLOQ-JOCQHMNTSA-N 333.392 1.518 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)CC[C@@H]1O 257207738 BJAGSQDKHPIFRH-ROUUACIJSA-N 343.427 1.589 0 40 EDAB Cc1nc(C)c(CC(=O)N[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)s1 257336386 YOEPHKGAFGQVAJ-XJKCOSOUSA-N 334.445 1.688 0 40 EDAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC([C@@H](O)C(=O)O)CC1 1607947944 DQYKOAHYPWIGTQ-GFCCVEGCSA-N 346.305 1.707 0 40 EDAB CC1(C)[C@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)[C@@H]2CCO[C@H]21 607321949 UUVNECDWLHMOID-MORSLUCNSA-N 344.411 1.880 0 40 EDAB CC(C)(C)[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCO1 390833194 DHJWFPRZWNCDNR-WDEREUQCSA-N 336.354 1.671 0 40 EDAB CN(C)C(=O)C[C@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 575406811 URJWZCPLPHIGLO-AWEZNQCLSA-N 328.372 1.264 0 40 EDAB COc1ccc(C(=O)CN[C@@]2(C)CCS(=O)(=O)C2)cc1OC 575425024 WUARCLAMYSSXQE-HNNXBMFYSA-N 327.402 1.053 0 40 EDAB O=C(CN1CC[C@](O)(COc2ccccc2)C1)Nc1ccccn1 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RVEIEEKKKNRMIH-MNDPQUGUSA-N 333.457 1.847 0 40 EDAB C[C@H]1CN(c2ccc(C(=O)N[C@H](C)Cn3cccn3)cn2)C[C@H](C)O1 31402890 COECUVMCARXCTI-ILXRZTDVSA-N 343.431 1.710 0 40 EDAB COc1cccc(C(=O)NCCn2nnc3ccc(F)cc3c2=O)c1 238940855 VZCHQXFGCJFXSQ-UHFFFAOYSA-N 342.330 1.369 0 40 EDAB COc1ccc(CN2CCN(c3ncnc4n[nH]cc34)C[C@H]2C)cn1 2087043842 NKANFQZLJWDNEY-GFCCVEGCSA-N 339.403 1.467 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 1565550450 AWUSSXUCRQLZBQ-LDDOYCOJSA-N 346.452 1.986 0 40 EDAB COc1ccccc1OCCSc1nnc2nc(O)cc(N)n12 8828126 YNLGENGKTJJECZ-UHFFFAOYSA-N 333.373 1.592 0 40 EDAB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)c1 10331112 JOKOMZNPPHQLDE-AWEZNQCLSA-N 331.372 1.646 0 40 EDAB Cc1cncc(C(=O)N2CCC(C(=O)N(C)C)(n3cccn3)CC2)c1 2055772150 BPWGLTOVQZWVPZ-UHFFFAOYSA-N 341.415 1.306 0 40 EDAB Cc1noc(C)c1CN1CCC[C@H](N(C)S(=O)(=O)C2CC2)C1 2086889110 AEGCKLIVNQYQDB-ZDUSSCGKSA-N 327.450 1.680 0 40 EDAB CCc1ccccc1NC(=O)NCc1nc(N(C)C)nc(N(C)C)n1 575606648 KBHSPHKCIFRUAJ-UHFFFAOYSA-N 343.435 1.888 0 40 EDAB CC(C)(C)NC(=O)CN1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1 2298104767 WOBJPJRASNJSNK-ZDUSSCGKSA-N 345.434 1.871 0 40 EDAB CCOc1cccc2cc(C(=O)N3CCC(C(N)=O)CC3)c(=O)oc12 10434953 WPFPCTIFMURLOW-UHFFFAOYSA-N 344.367 1.529 0 40 EDAB CCc1nnsc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 28319809 OXBRVTGNUKDRBG-VIFPVBQESA-N 339.442 1.995 0 40 EDAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cccnc2)Oc2ccccc21 20038141 LHMRDLPEOFDDSQ-AWEZNQCLSA-N 333.369 1.247 0 40 EDAB CCCn1nc(C(=O)NCc2ccc(N3CCCC3)nc2)ccc1=O 31313567 NNDIIUSUVIBOAN-UHFFFAOYSA-N 341.415 1.579 0 40 EDAB CN(C)c1nc(N)nc(CCNC(=O)[C@H]2CCCc3ccccc32)n1 40512226 RKTOXRVLBPWLEE-AWEZNQCLSA-N 340.431 1.299 0 40 EDAB CC(C)CNC(=O)CN1CCN(Cc2cc(-c3ccco3)on2)CC1 32490416 CHQKKEHEBZQRFG-UHFFFAOYSA-N 346.431 1.824 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)c1ccc(OC)cc1 41157901 ZIICGOPKQSVQEW-CQSZACIVSA-N 336.388 1.129 0 40 EDAB CCc1cc(NC[C@H]2CCN(CC(F)(F)F)C2)n2ncnc2n1 52412995 WKWUQHJDVPGVTM-SNVBAGLBSA-N 328.342 1.983 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(Cl)cc2)on1 11916426 ORLVUCLAJFRGIZ-LLVKDONJSA-N 340.788 1.912 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1 76016765 VZRPAXKSFWUICI-UHFFFAOYSA-N 331.300 1.647 0 40 EDAB CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 415934 BAVMMEIUSROKCY-UHFFFAOYSA-N 346.474 1.358 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O 2646979 RGBHSFBRFKIRLW-GTNSWQLSSA-N 341.371 1.250 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)Nc3cnn(C)c3)CC2)cc1 76061156 SVYOPQBLVKQNBC-UHFFFAOYSA-N 343.387 1.419 0 40 EDAB CCN1CCO[C@@H](CNCc2c[nH]nc2-c2ccc(OC)cc2)C1 69774151 KLHHETXQUWHMPU-KRWDZBQOSA-N 330.432 1.896 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCN1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 76059325 HSZJYKHRWQNLRA-LDDOYCOJSA-N 337.464 1.892 0 40 EDAB CCCc1noc(CCCC(=O)N2CCO[C@@H](c3nc(C)n[nH]3)C2)n1 76045131 SBUSDUIPXSAAII-GFCCVEGCSA-N 348.407 1.371 0 40 EDAB CC(C)[C@@H](Sc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1 78737125 XTTBRHNQVSEJRC-QGZVFWFLSA-N 349.500 1.869 0 40 EDAB Cc1nccn1CCCNS(=O)(=O)N1CCC[C@@H]1c1ccco1 78880006 UAZQQMUZOCLYSB-CQSZACIVSA-N 338.433 1.846 0 40 EDAB C[C@H](OC1CCCC1)C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 78901528 XBOUVPGWRDVGLS-NWDGAFQWSA-N 334.420 1.562 0 40 EDAB CCC[C@@H]1CN(C(=O)[C@@H](C)OCC)CCN1C(=O)[C@@H](C)OCC 79056206 UCFONTCPWGIVOV-RBSFLKMASA-N 328.453 1.676 0 40 EDAB Cc1cc(=O)[nH]cc1C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 79104689 ONGDRZZPVORSMS-INIZCTEOSA-N 330.384 1.934 0 40 EDAB O[C@@H](CN[C@@H]1CCc2ncnn2C1)COCc1ccc(Cl)cc1 69742740 CKSMQRVOXJNXNN-CABCVRRESA-N 336.823 1.414 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)Cc4cccs4)CC3)ncnc21 42061192 QSVFXMRKCDRJPY-UHFFFAOYSA-N 342.428 1.316 0 40 EDAB Cc1cnc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cn1 21919497 HCSUACZLIJOLHJ-QGZVFWFLSA-N 344.390 1.727 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)C[C@H](NC(N)=O)c1ccccc1C 33213621 NQYAXGCGMGYJAL-GJZGRUSLSA-N 346.431 1.222 0 40 EDAB Cn1c(=O)c2c(nc(C3C[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3)n2C)n(C)c1=O 4877011 WJZABZDNBWNGQV-NLCNOVPZSA-N 328.416 1.510 0 40 EDAB NC(=O)[C@H]1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)C1 69776441 DTNSJOTXJSCMMT-VIFPVBQESA-N 337.305 1.869 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 6326660 ZINCDJGQXSSHOO-UHFFFAOYSA-N 335.809 1.826 0 40 EDAB Cc1nc(CN2CCC[C@H](NCC(=O)N(C)Cc3ccco3)C2)no1 69738439 XVKAFNCKAORUIM-AWEZNQCLSA-N 347.419 1.184 0 40 EDAB COCCCNC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10332906 FAWNOSUQSFUSFJ-CQSZACIVSA-N 342.461 1.611 0 40 EDAB C[C@@H](NC(=O)COC(=O)c1cccn1C)c1ccc2c(c1)OCCO2 8269501 OGFMURMDVIUXCU-GFCCVEGCSA-N 344.367 1.831 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)C1 53895089 VOBPUCOKRSUWBF-JTQLQIEISA-N 333.775 1.601 0 40 EDAB Cc1nn(C)c2cnn(Cc3ccc(C(=O)N4CCN(C)CC4)o3)c12 57279672 OCMKDUNAYWGSRW-UHFFFAOYSA-N 342.403 1.107 0 40 EDAB CC1=C(C(=O)N2CCN(C)CC2)[C@H](c2cccs2)n2ncnc2N1 54672262 UNDSSKLSZPZPBP-AWEZNQCLSA-N 344.444 1.403 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 23409054 XCQCYZIFCZJFBD-WMZOPIPTSA-N 348.443 1.058 0 40 EDAB O=S(=O)(N1CCCC1)N1CCN(Cc2ccc(Cl)s2)CC1 42674817 MXMDCVQDTVJGOD-UHFFFAOYSA-N 349.909 1.860 0 40 EDAB C[C@H](CNC(=O)N(C)CCN1CCOCC1)N1CCc2ccccc21 105150595 SDCAKCZNTAJRTF-MRXNPFEDSA-N 346.475 1.411 0 40 EDAB C[C@H]1COCCN1C(=O)CCc1nc2ccccc2c(=O)n1C1CC1 47449697 RTYDOWYRAHFLSB-ZDUSSCGKSA-N 341.411 1.911 0 40 EDAB COc1cc(N2CCC[C@@]3(C[C@@H](CN4CCOCC4)CO3)C2)ncn1 107790507 KHMYICPPSZOJLN-MAUKXSAKSA-N 348.447 1.193 0 40 EDAB Cc1noc(C)c1CSCC(=O)O[C@@H](C)C(=O)N1CCNC1=O 24072184 UKENZIUXQHCXOW-JTQLQIEISA-N 341.389 1.008 0 40 EDAB O=C(NCc1ccccc1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 24987076 FJAGZZSSEBGGNO-SJORKVTESA-N 333.432 1.223 0 40 EDAB O=C([C@H]1CCN(c2cc(F)cc(F)c2)C1=O)N1CCSCC1 56013032 SRDTWIHSFKNOPK-CYBMUJFWSA-N 326.368 1.893 0 40 EDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCC(O)CC1 26296016 GFNFNCYGDRPYPG-CQSZACIVSA-N 333.432 1.203 0 40 EDAB CCc1nc(Cl)c(C)c(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 72307770 XAIPYRSWFCEWDL-GFCCVEGCSA-N 338.839 1.828 0 40 EDAB CCOc1ccccc1N1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 57854190 WXXJJMHLUJSQEA-INIZCTEOSA-N 347.459 1.503 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)N3CCCC3)CC2)c1C 58023028 ZKSKWBYPVAWMNH-UHFFFAOYSA-N 346.431 1.808 0 40 EDAB COc1ccc([C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)C)cc1 58023270 NEPFOWHYRJTDQK-HNNXBMFYSA-N 347.415 1.839 0 40 EDAB O=C(Cc1csc(-c2ccco2)n1)NC[C@H]1CCS(=O)(=O)C1 44724276 XVYKVCYRVXHLKI-SNVBAGLBSA-N 340.426 1.497 0 40 EDAB CCc1nc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc1C 44702205 YJGXMYXMMHFJFM-SNVBAGLBSA-N 331.463 1.624 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1Cc1cnn(-c2ccccc2)n1 58179283 NMFTYDDGFNDOFF-UHFFFAOYSA-N 340.364 1.612 0 40 EDAB COc1ccc(OC)c2c1CN(CC(=O)N1CCCC[C@@H]1C)C[C@H]2O 44889347 ICXRGWQGPQVFSG-DZGCQCFKSA-N 348.443 1.954 0 40 EDAB CCCn1nc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)ccc1=O 44969196 LOXSWDUBOZUWHA-NSHDSACASA-N 340.383 1.639 0 40 EDAB O=C(NCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1F 102684543 YGEMFUGEWLDDAM-GVAFMPQTSA-N 342.370 1.753 0 40 EDAB Cc1nnc(NC(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)s1 48222334 OJMPSEVVONPXTG-UHFFFAOYSA-N 342.384 1.481 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccncc2)cc1 48230914 VPNBWSDKBICJGV-UHFFFAOYSA-N 334.401 1.453 0 40 EDAB COc1ccccc1CCNC(=O)Nc1ccc(S(C)(=O)=O)nc1 58342313 DJEDXRXLDSKOJR-UHFFFAOYSA-N 349.412 1.858 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 20150497 GXSBDFGSOBTNIJ-PVTKRXDGSA-N 336.413 1.335 0 40 EDAB O=C(c1cnccn1)N1CCN(CCOc2ccccc2Cl)CC1 28636594 XIIRDYBVEUNWPO-UHFFFAOYSA-N 346.818 1.967 0 40 EDAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nccs1 36594971 TXLDRCRYDRVSCA-LLVKDONJSA-N 330.369 1.613 0 40 EDAB C[C@H](NC(=O)NC[C@H]1COCCO1)c1cccc(N2CCOC2=O)c1 84656093 NZPMFNSLBUSODQ-WFASDCNBSA-N 349.387 1.419 0 40 EDAB CCc1nc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cs1 29238626 RPDDGOVOSUEWOZ-UHFFFAOYSA-N 327.431 1.166 0 40 EDAB CC(C)NC(=O)Nc1cccc(C(=O)N(C)CC(=O)N2CCCC2)c1 48345349 YHNBQCBTZWAKIR-UHFFFAOYSA-N 346.431 1.911 0 40 EDAB Cc1ccc(N2C(=O)N(CC(=O)N3CCOCC3)C(=O)[C@H]2C)cc1 3445382 CSNGIKJWRDLBDO-CYBMUJFWSA-N 331.372 1.011 0 40 EDAB CCC[C@@H]1NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 13039129 UWIHZHJLNDEUTN-GJZGRUSLSA-N 329.400 1.901 0 40 EDAB CCCCn1nnnc1CN1CCC[C@H](Cn2nc(C)nc2C)C1 69840540 AEVVRHIEGJTBJY-HNNXBMFYSA-N 332.456 1.594 0 40 EDAB CCN1CCC[C@H](CNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)C1 69809005 OPROWNOWVUODDY-KGLIPLIRSA-N 341.521 1.782 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)Nc1ccnn1C(C)C 69923686 MVIWXFLYYGBVBY-CVEARBPZSA-N 347.463 1.878 0 40 EDAB COc1ccccc1CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 69974721 CWOGCTSXEIGCNS-YJBOKZPZSA-N 339.395 1.926 0 40 EDAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NC(C)C 4074025 ORQDLNHJWQFIKH-QFYYESIMSA-N 336.413 1.798 0 40 EDAB biogenic Nc1nccnc1C(=O)NCCOc1ccc(Br)cc1 49451600 SSLYSUVFURBSRL-UHFFFAOYSA-N 337.177 1.630 0 40 EDAB CCCCN1C(=O)N[C@](NC(=O)c2cccnc2)(C(F)(F)F)C1=O 13628146 BTFMFWLYKAVMKO-ZDUSSCGKSA-N 344.293 1.422 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 65553759 CCVIOXXTXDHVFV-CYBMUJFWSA-N 336.411 1.888 0 40 EDAB Cc1nnc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)s1 5388246 GOUSQVBBWOMZQH-UHFFFAOYSA-N 327.369 1.709 0 40 EDAB Cc1ccnc2nc(C(=O)NCCOc3ccc(Cl)cc3)nn12 14189546 FQZZTRLDVMLNIE-UHFFFAOYSA-N 331.763 1.895 0 40 EDAB COCCNC(=O)NC(=O)COc1ccc(F)cc1Br 14236583 KBCBXYOSMSFCPT-UHFFFAOYSA-N 349.156 1.439 0 40 EDAB Cc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3CCCO3)n2)cc1C 5401814 URTADUOPYJEZTP-MRXNPFEDSA-N 341.411 1.822 0 40 EDAB C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)c3ccc[nH]3)CC2)C1 66420952 MRSVDGDFHZEXLM-LSDHHAIUSA-N 332.448 1.467 0 40 EDAB COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc2c(c1)OCCO2 7219039 DISUFZAJDAXXGO-GFCCVEGCSA-N 343.401 1.324 0 40 EDAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 7223429 PYCZINQUQRKZPJ-NSHDSACASA-N 349.412 1.782 0 40 EDAB C[C@H](CO)[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 97598139 SWEWAQJHOCVFBI-BDAKNGLRSA-N 336.360 1.821 0 40 EDAB CNC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 7802263 UYUCCGLEJWSTRL-UHFFFAOYSA-N 326.352 1.373 0 40 EDAB COc1ccc(CC(=O)N2CCN(C(=O)[C@@H](C)SC)CC2)cc1 68813916 BEJXTMRXADXUTM-CYBMUJFWSA-N 336.457 1.660 0 40 EDAB COCCn1cc2c(n1)[C@H](NC(=O)c1cc(OC)ccn1)CCC2 96002908 DUOGMUHQMLQFDD-CQSZACIVSA-N 330.388 1.741 0 40 EDAB Cc1cc(=O)n2c(n1)N(S(=O)(=O)c1cc(F)cc(F)c1)CC2 96013491 DOMNWRJOAOAOEL-UHFFFAOYSA-N 327.312 1.039 0 40 EDAB Cc1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1C1CC1 8327885 WLQDAJIEEAFGIV-UHFFFAOYSA-N 344.400 1.822 0 40 EDAB CCn1ccnc1CN1CCN([C@@H](C(N)=O)c2ccccc2)CC1 69444518 KDTGOTKWLPIYBU-QGZVFWFLSA-N 327.432 1.247 0 40 EDAB COC(=O)N1CCC(NC(=O)[C@@H]2COc3cc(OC)ccc3C2)CC1 69568101 YSRQUSCULHIBIZ-ZDUSSCGKSA-N 348.399 1.593 0 40 EDAB O=C(CN1CCCC[C@H]1Cn1cncn1)NCCc1ccc(F)cc1 69534207 DQWRWOVGZRRZRE-KRWDZBQOSA-N 345.422 1.631 0 40 EDAB Cc1nnc2n1CCN(CC(=O)NC[C@H]1CCCc3ccccc31)C2 69510863 TVVDXRYAXYKKPS-MRXNPFEDSA-N 339.443 1.638 0 40 EDAB COc1ccc(CNC(=O)c2ccoc2CN2CCNC(=O)C2)cc1 69590015 GDTVOVOZHJOTSU-UHFFFAOYSA-N 343.383 1.150 0 40 EDAB O=C(CCNCc1ccccc1F)N1CCN(c2ncccn2)CC1 69564813 UXZKUGJAYXWJLI-UHFFFAOYSA-N 343.406 1.444 0 40 EDAB O=C(Cn1cnnn1)NCC1(c2cccc(C(F)(F)F)c2)CCC1 96426653 ZHGCTRVOIARPMZ-UHFFFAOYSA-N 339.321 1.930 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCS(=O)(=O)C1 69631292 XCWKGCGPDMGQLO-LLVKDONJSA-N 345.442 1.242 0 40 EDAB CC(C)(C)C(=O)Nc1cccc(NC(=O)NCCS(C)(=O)=O)c1 69663467 JPZVZFAWNSKHNF-UHFFFAOYSA-N 341.433 1.837 0 40 EDAB C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)CN(C)C(=O)OC(C)(C)C 71894438 MATCAVVVMIRFTO-VXGBXAGGSA-N 348.465 1.040 0 40 EDAB Cc1nc(CN2CCC[C@H](N[C@@H](C)C(=O)NCc3ccco3)C2)no1 71877571 YIXOHBWQHXKWQK-JSGCOSHPSA-N 347.419 1.230 0 40 EDAB Cc1nnc(CN2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)n1C 71824826 RIBXWTVTWMHXKI-HNNXBMFYSA-N 341.459 1.962 0 40 EDAB Cc1cccc(C(=O)NCCS(=O)(=O)N2CCSCC2)c1C 71884380 LUPCMZXMUORPAD-UHFFFAOYSA-N 342.486 1.412 0 40 EDAB CC(C)CN(C)c1ccc(C(=O)Nc2cnn(CC(N)=O)c2)cc1 71850044 XCIQEOBFYSXEPQ-UHFFFAOYSA-N 329.404 1.713 0 40 EDAB O=C(C[C@H]1CCc2ccccc2C1)NCCN1C(=O)CSC1=O 71899394 ZANVLJWQJGOEEV-LBPRGKRZSA-N 332.425 1.993 0 40 EDAB NC(=O)NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O 71834232 RECWZTDAHHYMBA-UHFFFAOYSA-N 336.351 1.649 0 40 EDAB CC[C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@H]1N1CCOCC1 84735901 LQRFRBOZVTZNMU-NVXWUHKLSA-N 334.464 1.576 0 40 EDAB O=C(C[C@H]1SC[C@@H](C(=O)O)NC1=O)Nc1ccccc1Cl 20635101 BPADCFRPGPKVHC-VHSXEESVSA-N 328.777 1.353 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCOC2)cc1)[C@H]1CCCO1 71903658 RIUKELUSYBNERG-IUODEOHRSA-N 339.413 1.614 0 40 EDAB Cc1nc(S(=O)(=O)N(CCN(C)C)CC2CCCCC2)cn1C 71921583 PPBJFMMGCMCFIF-UHFFFAOYSA-N 342.509 1.861 0 40 EDAB O=S(=O)(Cc1ccon1)N(CCO)[C@@H]1CCCc2ccccc21 95433134 NSCSZZUYMMDYRG-MRXNPFEDSA-N 336.413 1.876 0 40 EDAB CCO[C@H](C)c1noc(CN2CCN(C(=O)N(C)C)CC2(C)C)n1 95464637 LIGZUDFUMJVVKS-GFCCVEGCSA-N 339.440 1.745 0 40 EDAB O=C(Nc1ccc(I)cc1)N1CC[C@@H](O)C1 97085176 JIZDBIGNKNRXPC-SNVBAGLBSA-N 332.141 1.890 0 40 EDAB COCCN1CCN(Cc2cnc(-c3ccccn3)s2)CC1=O 97052022 BTYBQOXWIBCVEX-UHFFFAOYSA-N 332.429 1.496 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N1CCC[C@@H](c2ccn[nH]2)C1 72283006 UZHRCHQMCFMCNZ-GFCCVEGCSA-N 325.434 1.473 0 40 EDAB Cc1nc(C)c(CCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)s1 95426945 DVXVZLZXQIJQPP-OLZOCXBDSA-N 336.461 1.755 0 40 EDAB C[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1cccc(-n2cccn2)c1 73205563 JPUONDGVNZVCQR-KBPBESRZSA-N 347.440 1.874 0 40 EDAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC[C@@H]1NC(=O)NC1=O 97931243 AQXLHVAIBIVMOJ-JSGCOSHPSA-N 331.416 1.847 0 40 EDAB COC(=O)[C@H](C)N(C(=O)Cn1nc(C)c2ccccc2c1=O)C1CC1 74026992 YYIGHMHTKYZIKZ-LBPRGKRZSA-N 343.383 1.257 0 40 EDAB O=C([C@H]1CCCN(Cc2cccc3cn[nH]c23)C1)N1CCOCC1 95982407 NAEOUMAGRBMYSU-INIZCTEOSA-N 328.416 1.634 0 40 EDAB O=C(CN1CCN(Cc2nnc(C3CCC3)o2)CC1)N1CCCC1 95958269 PIZNCSXCGREOSV-UHFFFAOYSA-N 333.436 1.077 0 40 EDAB Cc1ccc(C(=O)NC[C@@H](O)c2cnn(C)c2)c(Br)c1 95974549 JHIMNFZFNHRVLT-CYBMUJFWSA-N 338.205 1.954 0 40 EDAB COc1cc(F)ccc1NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 95948677 YGNSUNXVODPLIX-TXEJJXNPSA-N 334.347 1.948 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC2CCN(C(C)C)CC2)cc1 95967392 KLIHOFVHGCFKTE-UHFFFAOYSA-N 339.505 1.698 0 40 EDAB CCCN1CCCC[C@@H]1C(=O)N1CC(n2cc(C(C)(C)O)nn2)C1 95998141 XBLFVQWHVFFAFY-CQSZACIVSA-N 335.452 1.153 0 40 EDAB CCOC[C@@H](C)NC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O 75123651 KSJBWTGMVODQTR-LLVKDONJSA-N 330.388 1.224 0 40 EDAB Cc1cc(C)c(CNC(=O)NCc2cccc3c2OCO3)c(=O)[nH]1 75122234 UCNUIVJALCSTAX-UHFFFAOYSA-N 329.356 1.720 0 40 EDAB CC(C)(C)SCCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 89694513 FWKDEFNQFJJKDQ-VIFPVBQESA-N 341.399 1.981 0 40 EDAB COC(=O)[C@H]1CN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CCO1 75582748 UGSRAGHHLPBMKT-OAHLLOKOSA-N 344.371 1.160 0 40 EDAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCN(CCO)CC1 75604569 KSTMCNXXFJOVBA-GFCCVEGCSA-N 346.349 1.609 0 40 EDAB CN1CCN(C[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 28297166 REDAMELUFFOXMZ-GFCCVEGCSA-N 342.365 1.663 0 40 EDAB CC(C)c1noc(CCNC(=O)C(=O)Nc2ccc(F)c(F)c2)n1 77842481 BRYUJOXZKRNVOY-UHFFFAOYSA-N 338.314 1.769 0 40 EDAB CC(C)Cc1nc(C[S@@](=O)CC(=O)NCc2ccccc2)no1 79324556 RXUPTGUUBHROEF-QHCPKHFHSA-N 335.429 1.833 0 40 EDAB CSC[C@@H](CCO)Nc1ncnc2c1c(Br)nn2C 77236868 BZSDJKNGEZRPIX-SSDOTTSWSA-N 346.254 1.652 0 40 EDAB COc1cccc(CO[C@H](C)C(=O)N2CC(=O)Nc3cccnc32)c1 78917802 LWIPXMFUFNRAGU-GFCCVEGCSA-N 341.367 1.981 0 40 EDAB COc1ccc(CCS(=O)(=O)NC[C@H](O)Cc2ccccc2)cc1 70639335 XFBBWIBCLWZEIY-QGZVFWFLSA-N 349.452 1.761 0 40 EDAB Cc1nn(C)cc1CN1CC[C@H](C(=O)NCCc2ccccc2)C1 72392092 CSNQPUOBMJWNJA-KRWDZBQOSA-N 326.444 1.909 0 40 EDAB CS[C@H]1CCC[C@@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 74065955 LXQHDPVZAXMYIH-HOTGVXAUSA-N 348.516 1.994 0 40 EDAB Cc1cnc(Nc2nccnc2[C@H]2CCCN(CC(N)=O)C2)s1 72367858 KYDDLDDLDZTNNI-NSHDSACASA-N 332.433 1.650 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)[C@H]2CCCS2(=O)=O)cc1 565159053 YREWHXOBUFXHDG-OAHLLOKOSA-N 325.430 1.710 0 40 EDAB CCc1oncc1C(=O)NC1CCN(c2cc(C)nc(CO)n2)CC1 1057959671 RNFRAXIGHCZSLI-UHFFFAOYSA-N 345.403 1.227 0 40 EDAB COCCn1nnnc1CN1CCC(C(=O)c2ccc(C)cc2)CC1 35314945 VGSWMWYHGQUMMD-UHFFFAOYSA-N 343.431 1.723 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCN(CC(F)(F)C(F)F)CC1 79311806 MVFUVOJAZDYOCG-LBPRGKRZSA-N 333.329 1.731 0 40 EDAB CCOc1cccc(CNC(=O)[C@H]2C[C@@H](OC)CN2)c1OC(F)F 562516901 PSXLFWDHUYUTSO-VXGBXAGGSA-N 344.358 1.680 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)c2ccc(C)cc2O)c1 49992327 NWGCPSPZDNFYEF-UHFFFAOYSA-N 348.424 1.680 0 40 EDAB COc1ccccc1N1CCN(c2ccc(N)cc2C(N)=O)CC1 225489538 AGJKYBPTVVFZNO-UHFFFAOYSA-N 326.400 1.703 0 40 EDAB COc1ccc([C@H](CN(C)C)NS(=O)(=O)c2cccnc2)cc1 225454670 XJPUSSOVYLCEDF-INIZCTEOSA-N 335.429 1.671 0 40 EDAB Cn1ccc(NC(=O)C(=O)N2CCC[C@H](NCc3ccccc3)C2)n1 225496429 MHXVVGYGWHPXPY-HNNXBMFYSA-N 341.415 1.139 0 40 EDAB COCCNC(=S)Nc1nc(OC)cc(N2CCC(C)CC2)n1 225897022 ZQAYBXHZFVMXCV-UHFFFAOYSA-N 339.465 1.654 0 40 EDAB COc1ccc(Cn2cc(NC(=O)NCCn3ccnc3)cn2)cc1 225485117 ZVNRHACHUAVZQT-UHFFFAOYSA-N 340.387 1.958 0 40 EDAB O=C(NCc1cccc(N2CCOCC2)c1)N1[C@H]2CC[C@H]1COC2 334078276 KOEDPVPBBUMAGB-IRXDYDNUSA-N 331.416 1.596 0 40 EDAB Cc1nnc(N2C[C@H]3OC[C@@H](CC(=O)NCc4ccco4)[C@H]3C2)s1 96218903 DXVMENUCJGNHCW-MRVWCRGKSA-N 348.428 1.597 0 40 EDAB CCN(CC)Cc1cn2c(n1)CN(C(=O)c1cnc(C)cn1)CC2 96197185 ACTOFUWWZUSFTH-UHFFFAOYSA-N 328.420 1.479 0 40 EDAB Cn1cc(N2CC[C@@]3(CCCN(Cc4cccnc4)C3)C2=O)cn1 96224631 ULGWZYRDBJIIEE-GOSISDBHSA-N 325.416 1.834 0 40 EDAB O=C(c1ccco1)N1C[C@H]2CCCN(C(=O)C3CCOCC3)[C@H]2C1 96054202 DYYCHJBAOZEYQG-CABCVRRESA-N 332.400 1.769 0 40 EDAB Cc1ccc(C(=O)N2CCC3(CC2)CCN(CCN(C)C)C3=O)cn1 96157753 VUHPLIFVYHWGPY-UHFFFAOYSA-N 344.459 1.406 0 40 EDAB Cn1cc(CN2CC[C@@]3(C[C@H](NC(=O)N4CCCC4)CCO3)C2)cn1 96208673 SOVCQGSSKKHADE-SJLPKXTDSA-N 347.463 1.349 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCN(CC2CC2)C1 96440566 WZFRCBXVXHEUES-MLGOLLRUSA-N 333.480 1.751 0 40 EDAB CCS(=O)(=O)NCC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)C 95446378 MQYFOGAJESQLAF-AWEZNQCLSA-N 334.388 1.717 0 40 EDAB CS(=O)(=O)N1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 96239630 MASLWTQEKXBHAT-ZDUSSCGKSA-N 331.388 1.579 0 40 EDAB CN(C)[C@H](CNc1ncccc1S(N)(=O)=O)C1CCCCC1 96429169 WNUBRZCPUILNHP-CYBMUJFWSA-N 326.466 1.651 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)Nc2ccn(-c3ccccc3)n2)cn1 96421840 RZHGRMXAPISICH-QGZVFWFLSA-N 340.387 1.635 0 40 EDAB CCc1cnc(N2CC[C@]3(CCCN(CC(=O)N(C)C)C3)C2)nc1 96215330 DGPJDSVBCUPMHI-SFHVURJKSA-N 331.464 1.420 0 40 EDAB COc1cccc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)c1 96286871 MDZIDWJDXYFQQW-UHFFFAOYSA-N 347.440 1.597 0 40 EDAB CCS(=O)(=O)N[C@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1 96207301 NXHSJGHLUZHKLN-DLBZAZTESA-N 338.473 1.749 0 40 EDAB COc1ncnc2c1CN([C@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 97201788 OMOKFFLORSROCV-SNVBAGLBSA-N 347.806 1.919 0 40 EDAB Cc1noc(C)c1CN1CCC2(CC1)C(=O)NCCN2CC(C)C 96230171 ZRFFQRHUBQYVGT-UHFFFAOYSA-N 334.464 1.714 0 40 EDAB CS(=O)(=O)N1CCO[C@H]2[C@@H]1CC[C@@H]2COCc1nccs1 96250087 WYLDITVFIMJZSM-NTZNESFSSA-N 332.447 1.099 0 40 EDAB Cc1cc(CN2CC3(C[C@@H](OCC4CCOCC4)CCO3)C2)n(C)n1 248065319 WCIQENDUQYLBCY-SFHVURJKSA-N 349.475 1.905 0 40 EDAB Cc1nccc([C@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)n1 257200396 ADCGOMLQHLRRRV-MRXNPFEDSA-N 329.404 1.360 0 40 EDAB CC(C)C[C@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)Nc1nccs1 585132294 SOTUGSUPOFWNFL-MNOVXSKESA-N 338.433 1.139 0 40 EDAB CC(C)C1CCN(C(=O)Nc2[nH]nnc2C(=O)N2CCCC2)CC1 585119539 KCVSORJDWLQXHI-UHFFFAOYSA-N 334.424 1.941 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nnc(O)n1C 585114717 UNXKXJIWEVJPKU-SNVBAGLBSA-N 338.433 1.858 0 40 EDAB COc1cc(C(=O)N=[S@@](C)(=O)c2ccc(N(C)C)cc2)nn1C 585134098 DOARFCJKRLAIIX-QHCPKHFHSA-N 336.417 1.792 0 40 EDAB O=S1(=O)CCC[C@H](NS(=O)(=O)c2cnc3sccc3c2)C1 585115068 LEYBMHHIXJTVHL-JTQLQIEISA-N 346.455 1.152 0 40 EDAB CCc1nccn1[C@@H]1CCCN(C(=O)c2cc3n(n2)CCOC3)C1 585140919 LIZZCNVEBCDFBS-CYBMUJFWSA-N 329.404 1.650 0 40 EDAB CCOc1ccc(S(=O)(=O)Nc2cc(CO)cc(CO)c2)cc1 585119212 XHTVNLMLPFXIIC-UHFFFAOYSA-N 337.397 1.871 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)CC 252516396 SIPVHLNMZGRCOT-UMVBOHGHSA-N 345.848 1.749 0 40 EDAB O=C(NCc1ccco1)N[C@@H]1CCN(C(=O)Cc2ccccc2)C1 252490196 KLRKAOMACDNUTA-OAHLLOKOSA-N 327.384 1.922 0 40 EDAB CN(C)c1cccc([C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)n1 257301335 RYAAHDLRZWFHKX-HNNXBMFYSA-N 348.428 1.305 0 40 EDAB COCC(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1F 257213727 CIVKKOQCNKHZGY-YJBOKZPZSA-N 334.391 1.954 0 40 EDAB CN1CCC[C@H]1CCNC(=O)c1ccccc1-n1cc(CN)cn1 257283587 OYXJLPDINHJXCF-HNNXBMFYSA-N 327.432 1.545 0 40 EDAB CNC(=O)[C@@H]1CCN(Cc2cn(-c3ccccc3C(=O)O)cn2)C1 257223465 DXMFGMZFBIPADT-GFCCVEGCSA-N 328.372 1.138 0 40 EDAB Cc1nccc([C@@H]2CN(S(=O)(=O)c3ccccc3F)CCO2)n1 257253489 JZDHDARGTIPQBF-AWEZNQCLSA-N 337.376 1.686 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccncn3)CCO2)n1 257260663 LDUYNUMOMAGZOW-INIZCTEOSA-N 327.388 1.460 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@]23CCOC3)s1 1615616371 ZPYZFRGNNHABIQ-CQSZACIVSA-N 329.443 1.937 0 40 EDAB O=C(O)[C@H](C1CC1)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 1616041064 ODDMYKIHNAVAQQ-INIZCTEOSA-N 336.819 1.890 0 40 EDAB Fc1cc(N2CCn3c(Cc4ccccc4F)nnc3C2)ncn1 1616043836 MKXPTWYUKGLBKQ-UHFFFAOYSA-N 328.326 1.957 0 40 EDAB Cc1c(C[S@@](C)=O)cccc1NC(=O)Cn1cc(C(=O)O)cn1 600866176 IMSUVFNXSAOHGD-HSZRJFAPSA-N 335.385 1.407 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](CNC(=O)c2cscn2)C1 575406235 MRZYDLYLFWQJGU-RAIGVLPGSA-N 345.428 1.309 0 40 EDAB Cc1nnsc1C(=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575605027 FYIZDHBUAVLQIJ-VIFPVBQESA-N 325.781 1.583 0 40 EDAB CC1(C)C[C@@H](O)c2cccc(NCCN3CCCS3(=O)=O)c2O1 901463667 UHJDUZVGACHHDU-CQSZACIVSA-N 340.445 1.729 0 40 EDAB CC(C)(C(=O)N1CC[C@@](O)(COc2ccc(F)cc2)C1)n1cncn1 585276140 KFHUCZUPHGNLQT-KRWDZBQOSA-N 348.378 1.195 0 40 EDAB CCOC(=O)C1CCN(CN2C(=O)C(=O)c3ccc(OC)cc32)CC1 46476448 LUCCABHXJPNPAS-UHFFFAOYSA-N 346.383 1.457 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)N2CC[C@H](c3cccs3)C2)C1=O 827945735 FXWHKWKONAKMGH-JTQLQIEISA-N 343.430 1.355 0 40 EDAB CC(C)(CNC(=O)c1nccnc1N)c1ccc2c(c1)OCCO2 57558645 XVEIKMVHKFNKRT-UHFFFAOYSA-N 328.372 1.538 0 40 EDAB Cc1ccc([C@H](CNC(=O)c2ccc(=O)[nH]c2)N2CCOCC2)cc1 55808164 IXIVUAPXHHNWCV-KRWDZBQOSA-N 341.411 1.487 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1CCC[C@@H](Cn2cncn2)C1 69737484 NQYBDKJBOCENOX-CQSZACIVSA-N 333.461 1.710 0 40 EDAB C[C@@H]1CCCN([C@H](C)CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 106078671 QNZXUKSMOZABQF-ZIAGYGMSSA-N 338.473 1.940 0 40 EDAB COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(Br)c(F)c1 195578132 MTQSGKMXXUVTPL-JOYOIKCWSA-N 332.169 1.696 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(Br)ccc1N 4246283 IEHHVMRAVGGGFP-ZCFIWIBFSA-N 344.165 1.032 0 40 EDAB CN(C)c1nc(O)cc([C@@H]2CCN(C(=O)Cc3ccccn3)C2)n1 12134650 IOBFMDCVQLHVRY-GFCCVEGCSA-N 327.388 1.202 0 40 EDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)NCCCCCC(=O)O 13026703 FXFZMZXPHBZUMY-UHFFFAOYSA-N 329.374 1.617 0 40 EDAB Nc1cc(Nc2ccc(I)cc2)nc(N)n1 13283021 GIRSJLPMGZMXHZ-UHFFFAOYSA-N 327.129 1.989 0 40 EDAB CC[C@@H](C(=O)N[C@@H](C)COC)N(c1ccc(C)cc1)S(C)(=O)=O 13713893 RSXYLAZOVXCXDP-ZFWWWQNUSA-N 342.461 1.691 0 40 EDAB C[C@H]1Cc2cc([C@H](O)CN3CCCCC3)ccc2N1S(C)(=O)=O 19497866 VGCPWXJXJIRKQZ-SUMWQHHRSA-N 338.473 1.917 0 40 EDAB CN(C)c1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)cn1 575603622 LLITXOGOANRKGD-KGLIPLIRSA-N 337.445 1.337 0 40 EDAB COc1ccccc1CC1CCN(C(=O)[C@@H]2C[C@H](OC)CN2)CC1 583617576 AWJRAMQHDJIUJO-IRXDYDNUSA-N 332.444 1.853 0 40 EDAB CN(C)C(=O)N1CCC(CNC(=O)[C@@H]2COc3ccccc3O2)CC1 390829776 GNZMLYJJUVOJAT-INIZCTEOSA-N 347.415 1.336 0 40 EDAB Cc1ccc(N2C[C@@H]3CN(c4cc(C)nc5ncnn45)C[C@H]3C2)nn1 1888897219 TYFQHNPBWNTIFE-ZIAGYGMSSA-N 336.403 1.104 0 40 EDAB Cn1c(N2CCC[C@@H](C(=O)N3CCOCC3)C2)nc2cccnc21 1889111380 HICWEGYLDFDVPF-CYBMUJFWSA-N 329.404 1.044 0 40 EDAB CCc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cnn1-c1ccc(OC)nn1 24480038 LXWDRASAORGTBJ-RYUDHWBXSA-N 345.403 1.483 0 40 EDAB CCc1nnsc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 32250705 PTYBVFBWELGFDA-CQSZACIVSA-N 346.456 1.731 0 40 EDAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 32503005 YAUOWEHHTWOZGB-CYBMUJFWSA-N 326.418 1.881 0 40 EDAB Cc1ccnc(C(=O)N2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)n1 2037984906 RCYRJSYPFIVOAA-GOSISDBHSA-N 346.431 1.417 0 40 EDAB O=C(c1csnn1)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 1614934531 QGRQHMGKMMXRDD-MRXNPFEDSA-N 346.387 1.946 0 40 EDAB CO[C@H]1CCN(C(=O)CCS(C)(=O)=O)C[C@H]1Cc1ccccc1 1565542531 LYHPZNYOIKIWQW-CVEARBPZSA-N 339.457 1.527 0 40 EDAB CCCN1CCCc2cc(CCNC(=O)C(=O)NC3CC3)ccc21 11613028 YEFVGJJMFQNUEA-UHFFFAOYSA-N 329.444 1.787 0 40 EDAB CC[C@@H](C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713881 VJSRGJMVZRZKLV-ZIAGYGMSSA-N 348.447 1.080 0 40 EDAB C[C@@]1(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)CC=CCC1 2055713448 QRHUDVKCYRAODA-GOSISDBHSA-N 340.431 1.654 0 40 EDAB Cn1cc(-c2noc(CNC(=O)NCCCc3ccccc3)n2)cn1 575617597 VCUQFEIXDKQNJM-UHFFFAOYSA-N 340.387 1.902 0 40 EDAB O=C(NCCOCCn1ccnc1)C1(c2ccccc2)CCOCC1 585150498 VEWHZRHSKGEDNX-UHFFFAOYSA-N 343.427 1.764 0 40 EDAB O=C(NCCn1cccnc1=O)c1cc(Br)cs1 820332176 QDSVGLGYHBKZSO-UHFFFAOYSA-N 328.191 1.497 0 40 EDAB CC(C)Cc1nnc(NC(=O)CN2CC[S@](=O)C(C)(C)C2)s1 96479989 MKRDQMGRKLLVAD-JOCHJYFZSA-N 344.506 1.518 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)c1cnc2sccn2c1=O 40009671 PLVQQDSLKLNYCO-UHFFFAOYSA-N 343.364 1.457 0 40 EDAB Cc1cc(C)n(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)n1 106924 GIFKAVGFNCVXDL-HNNXBMFYSA-N 333.413 1.993 0 40 EDAB CCN1C[C@H](C(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1=O 40506222 OEKULQQJLUJYIY-CQSZACIVSA-N 332.400 1.457 0 40 EDAB CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(OC)cc1OC)C(=O)N2 31814033 KCVMKFVWORABQK-LLVKDONJSA-N 345.359 1.380 0 40 EDAB O=C1CCSc2ccc(S(=O)(=O)NCc3cccnc3)cc2N1 20578615 OTHCDERQIPUCNX-UHFFFAOYSA-N 349.437 1.994 0 40 EDAB CC(=O)NCc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 32736270 NOQOTCYPPZLLPX-UHFFFAOYSA-N 336.355 1.551 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CC[C@@H]1CCCO1 46321235 DYNQXPVPHJCEHL-JSGCOSHPSA-N 340.445 1.813 0 40 EDAB NC(=O)C1(CNC(=O)c2cc(-c3cccc(F)c3)no2)CCOCC1 52744938 HYDSFNZRUDUYRS-UHFFFAOYSA-N 347.346 1.493 0 40 EDAB COc1cccc([C@H](CNS(=O)(=O)N2CCCCC2)N(C)C)c1 42669730 VJMVJOLPUSXDSY-INIZCTEOSA-N 341.477 1.618 0 40 EDAB CN(Cc1noc(C2CC2)n1)[C@H]1CCN(Cc2ccn(C)c(=O)c2)C1 76047382 XSEDAYNROYCART-HNNXBMFYSA-N 343.431 1.352 0 40 EDAB CCc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)n(C)n1 76018311 ITHNOVOOIVXQEI-GXFFZTMASA-N 348.353 1.872 0 40 EDAB C[C@H]1C[C@@H](C)CN1c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 76019661 IJVHGECYYGHFHP-MNOVXSKESA-N 331.459 1.728 0 40 EDAB O=C(COc1ccccc1)NCCNC(=O)COc1ccccc1 1794694 VXWNVWSXENXRDR-UHFFFAOYSA-N 328.368 1.377 0 40 EDAB CC(=O)N1CCN([C@H]2CN(Cc3ccncc3Cl)C[C@H]2C)CC1 78896086 YIOXBHHIKVOYPI-DYVFJYSZSA-N 336.867 1.719 0 40 EDAB C[C@@H](NC(=O)CN1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1)c1ccco1 78900126 KDVOAEZHSVJRGK-NEPJUHHUSA-N 345.403 1.158 0 40 EDAB O=C(NCCNC(=O)c1ccccc1)N[C@H]1c2ccccc2C[C@H]1O 79130110 LXCMNTKYVDZGAZ-SJORKVTESA-N 339.395 1.374 0 40 EDAB Cc1cccc([C@@H](CNC(=O)c2ccc(=O)[nH]c2)N2CCOCC2)c1 41427686 DOWPOVDJWAYHCP-QGZVFWFLSA-N 341.411 1.487 0 40 EDAB C[C@H](CNc1ccc2nnc(-c3ccccc3)n2n1)N1CCOCC1 53559035 JFOWMXAIDVNUMQ-CQSZACIVSA-N 338.415 1.924 0 40 EDAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(C)cc(C)n2)cc1 10463005 JMZRSGLTGVINTR-UHFFFAOYSA-N 348.428 1.709 0 40 EDAB COc1cc(NC(=O)CNc2ccccc2C(N)=O)cc(OC)c1 10841274 PUNUXGWKORNNDJ-UHFFFAOYSA-N 329.356 1.853 0 40 EDAB Cc1cccc(N2N=C(C(=O)N[C@@H](C)Cn3cccn3)CCC2=O)c1 42366369 YNVLWFWUVAHGCA-AWEZNQCLSA-N 339.399 1.879 0 40 EDAB COc1cc(NC(=O)CCN2C(=O)CCC2=O)c(OC)cc1Cl 8032002 FXGPXXPTZJNYMI-UHFFFAOYSA-N 340.763 1.835 0 40 EDAB C[C@H]1CCCC[C@@H]1NC1=NN/C(=c2\ccc3c(c2)OC(=O)N=3)CS1 104980999 RNFPQQXIVQSOQT-GDXGKLBOSA-N 344.440 1.703 0 40 EDAB COC(=O)C1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1 22914017 HEDSXFINCMEFMX-UHFFFAOYSA-N 346.427 1.544 0 40 EDAB CC(C)[C@H](C(=O)NCc1ccc(N(C)C)nc1)N1C[C@@H](C)O[C@H](C)C1 106153821 YKBPURASNFLMAS-IIDMSEBBSA-N 348.491 1.898 0 40 EDAB C[C@@H](NC(=O)CN(C)C[C@H]1CCCN1c1cccnn1)c1ccco1 106840370 ZBMHVJINEAZPGR-HUUCEWRRSA-N 343.431 1.848 0 40 EDAB O=C(NCCO)Nc1ccnn1Cc1cccc(Br)c1 97165650 AFRFEPZPKYQNFN-UHFFFAOYSA-N 339.193 1.808 0 40 EDAB CCOC(=O)C1(NC(=O)[C@H]2CCCN(c3cnccn3)C2)CCCC1 56368853 PTERWGQLFKMNTF-AWEZNQCLSA-N 346.431 1.685 0 40 EDAB O=C(c1ccc(F)cc1Br)N1CCN(CCO)CC1 35117532 ZVPIRYVIFVZBBO-UHFFFAOYSA-N 331.185 1.338 0 40 EDAB Cc1ccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)nc1 57419166 ARCDNLZPNOGHLY-HNNXBMFYSA-N 346.431 1.929 0 40 EDAB CN1CC[C@@H](C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1=O 44343619 RLJDRIQNSLMFJK-IAGOWNOFSA-N 345.443 1.045 0 40 EDAB CCC[C@H](C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230747 HEJAIIBURFLGJH-LBPRGKRZSA-N 328.434 1.766 0 40 EDAB CC(C)[C@H](NC(N)=O)C(=O)NCc1ccc(OCC(F)(F)F)cc1 27183113 ZMILJFQQPJNWFN-LBPRGKRZSA-N 347.337 1.937 0 40 EDAB CCc1ccc(-n2nc(CO)c(C(=O)NCCCOC(C)C)n2)cc1 21173131 VABZAUFQZNUOHK-UHFFFAOYSA-N 346.431 1.867 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCCC[C@@H]2C(N)=O)c1C 12613321 TZDWNQWKDDLCIN-CHWSQXEVSA-N 349.431 1.719 0 40 EDAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC(N2CCCCC2)CC1 58281191 BLMYYJVRBZMMLW-AWEZNQCLSA-N 338.496 1.950 0 40 EDAB CC(C)CC(=O)N1CCC(NC(=O)[C@H]2COc3ccccc3O2)CC1 58283114 IFYUVPASKGECKZ-QGZVFWFLSA-N 346.427 1.980 0 40 EDAB CN(Cc1ccccc1N1CCOCC1)C(=O)NCc1cc[nH]n1 48261687 XSVNQPDIBHGGBX-UHFFFAOYSA-N 329.404 1.588 0 40 EDAB COC(=O)c1oc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)cc1C 44977484 VUZYCQTTXKDPCI-LBPRGKRZSA-N 344.433 1.136 0 40 EDAB Cc1cccc([C@H](CC(=O)N2CCC3(CC2)OCCO3)NC(N)=O)c1 44909291 HOAKEBRPTWQJET-HNNXBMFYSA-N 347.415 1.460 0 40 EDAB 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1.605 0 40 EDAB CNC(=O)[C@@H]1CNCCN1C(=O)CCCc1c[nH]c2ccccc12 257216261 CTSQCFKRQQXJKI-INIZCTEOSA-N 328.416 1.037 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@@H]2c2cncc(C)n2)c1C 257290250 QCDXJVFSFRBQGZ-CQSZACIVSA-N 335.433 1.836 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cnc(C)nc3)CC2)C[C@@]1(C)CO 257241111 HWQODZWYMRQIKW-KRWDZBQOSA-N 346.431 1.011 0 40 EDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(Nc2ncccn2)C1 253473513 VSORTWGVTAYVIA-LLVKDONJSA-N 342.355 1.296 0 40 EDAB Cc1ccn(CCC(=O)N2CCOC[C@@H](Cc3ccncn3)C2)n1 257307454 SYRNYOZUZIOJNR-HNNXBMFYSA-N 329.404 1.089 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)[C@H](CO)c2ccc(F)cc2)C1 252488052 IIDVITFNSKXVGW-DLBZAZTESA-N 338.423 1.375 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)c1 252487912 IEFPUTVCJPJZKY-HIFRSBDPSA-N 329.462 1.740 0 40 EDAB C[C@H](NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1)C(=O)O 262831605 BIHGFLQMGZNMGD-KQURDKLPSA-N 332.356 1.396 0 40 EDAB CO[C@H]1C[C@H](CC(=O)O)N(C(=O)Cc2cccc3cccnc23)C1 262993748 KHQCSESVXAZIPJ-CABCVRRESA-N 328.368 1.868 0 40 EDAB O=C(c1cc(-n2ccnc2)ccn1)N1CCN(c2ccccn2)CC1 90608784 UPQNMPQVANHFQQ-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB Cc1c([C@H](NS(=O)(=O)[C@@H]2C[C@@H]2c2ccccc2)C(=O)O)cnn1C 1615205064 TVVDCEQCVJNBKB-YUELXQCFSA-N 349.412 1.330 0 40 EDAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccccc1Cl 575420107 FVSCTVJOIBIKNU-CHWSQXEVSA-N 346.836 1.341 0 40 EDAB CSCC(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CS2)C1 575406496 XXPAHQKDZZOCDK-GFCCVEGCSA-N 344.502 1.075 0 40 EDAB O=C(c1cc[nH]n1)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 575405280 YFPYICAGTFDKAA-CYBMUJFWSA-N 328.372 1.505 0 40 EDAB O=C1CCCN1C[C@@H]1CCn2nccc2CN1C(=O)C1CC=CC1 585097143 HTLLZFWAJAMTED-HNNXBMFYSA-N 328.416 1.573 0 40 EDAB CCOc1ccc(Cl)c(C(=O)NCC2(C(N)=O)CCOCC2)n1 55247431 YZMGPHCFGZTRCI-UHFFFAOYSA-N 341.795 1.146 0 40 EDAB CN1CCN(C(=O)NCc2nnc3n2CCC3)[C@H](c2ccccc2)C1 65390705 UTUTYNFHFWCSBS-HNNXBMFYSA-N 340.431 1.423 0 40 EDAB O=S(=O)(CCC(F)(F)F)N1CCCN([C@H]2CCSC2)CC1 1565522723 YCJHVZPMJRWXDC-NSHDSACASA-N 346.440 1.782 0 40 EDAB C[C@H](C(=O)N1CCC[C@H]1c1nc2ccccc2n1C)n1cnnn1 1614476977 BGULSXIRPKNCSY-RISCZKNCSA-N 325.376 1.485 0 40 EDAB Cc1ncsc1CN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1nccn1C 1615589200 JRBFHTMTUUJCKQ-FZMZJTMJSA-N 347.444 1.363 0 40 EDAB CN(CCNS(=O)(=O)Cc1ccc(Cl)nc1)c1ccccn1 1615586417 VMDFLURSLDUQIZ-UHFFFAOYSA-N 340.836 1.686 0 40 EDAB O=C1[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 169616800 DAWJZTJNMMPJLJ-ASHKBJFXSA-N 339.269 1.511 0 40 EDAB CCC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(C)cc1)C2=O 11694062 SAXSQMIOBCZUSK-UHFFFAOYSA-N 329.400 1.818 0 40 EDAB CN(Cc1ccco1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 29433543 MBIMWTBMWNAGHC-HNNXBMFYSA-N 326.356 1.358 0 40 EDAB COCCN1CCCC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1=O 1565545657 MGKGKSWMUACMSB-UHFFFAOYSA-N 347.459 1.825 0 40 EDAB CC1CC(C(=O)N2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)C1 1565547479 PZNQHQANUBKCDJ-VLWBHCEFSA-N 333.432 1.563 0 40 EDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)C3(F)CCC3)CC[C@H]21 1565549044 NZKONAYJBPSCDG-HUUCEWRRSA-N 327.444 1.132 0 40 EDAB COc1cccc(S(=O)(=O)NC[C@H](O)c2cc(C)oc2C)c1 1565519291 BWSNLLVAVXMLKK-HNNXBMFYSA-N 325.386 1.917 0 40 EDAB COc1cc(NC(=O)CSc2nnnn2C)c2ncccc2c1 38679401 AELHLFUUGUIRSN-UHFFFAOYSA-N 330.373 1.498 0 40 EDAB Cn1cnc(S(=O)(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)C2)c1 225678896 FTRGGXHXYCFMII-GFCCVEGCSA-N 335.385 1.327 0 40 EDAB Cc1noc(C)c1CCC(=O)NCCn1ccnc1-c1cnccn1 575608963 HWBHQZOYZLNMRD-UHFFFAOYSA-N 340.387 1.694 0 40 EDAB Cc1ccc(Cn2c(NCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 23115341 MZKPSBXSYHXQNW-UHFFFAOYSA-N 341.415 1.848 0 40 EDAB O=C1CN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CCN1 40266402 AYHMWWMUVSTKED-UHFFFAOYSA-N 335.367 1.235 0 40 EDAB C[C@@H](NC(=O)Cn1ccccc1=O)c1ccc2c(c1)OCCCO2 40498593 DTQBQUJTWAKBEQ-CYBMUJFWSA-N 328.368 1.887 0 40 EDAB O=C(CN1CCN(c2nccs2)CC1)Nc1ccc(Cl)cn1 40484990 CAKRISNIFYIDSS-UHFFFAOYSA-N 337.836 1.952 0 40 EDAB COc1cccc(C(=O)Cn2nnn(-c3ccccc3Cl)c2=O)c1 31790670 ACYPHESWVXLZBA-UHFFFAOYSA-N 344.758 1.974 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2cc(Br)cs2)CC1 40549282 RRXVIGOLBFMCKC-UHFFFAOYSA-N 346.250 1.918 0 40 EDAB O=C(CCNc1ncccn1)NC[C@H](c1ccco1)N1CCCC1 40553264 OKLZJSJCJVOGLA-CQSZACIVSA-N 329.404 1.825 0 40 EDAB C[C@H](NC(=O)c1cc(C2CC2)[nH]n1)c1ccc(S(N)(=O)=O)cc1 31940246 BIHVQLSKSANYRN-VIFPVBQESA-N 334.401 1.426 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O 102054881 BJNDMOOUEOJJEV-RWMBFGLXSA-N 343.468 1.942 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 41164773 LREKQMWRVOSEMW-CYBMUJFWSA-N 336.457 1.577 0 40 EDAB CS[C@H](C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 69569139 PXFKGKBIIARMJD-MRVPVSSYSA-N 346.250 1.993 0 40 EDAB COCCCNC(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 69561408 NVAQIFZTVUTSIC-UHFFFAOYSA-N 340.468 1.829 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(c3ccccc3F)C1)C2 69558602 MNJGACXZGYIACM-GFCCVEGCSA-N 343.362 1.121 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)CSc1nc(O)nnc1C 11990606 VTBHSEZGKIFKBB-UHFFFAOYSA-N 348.384 1.793 0 40 EDAB Cc1cc(N(C)C)nc(N2CCO[C@H](Cn3nc(C)cc3C)C2)n1 69562752 XBNXVBOESKXUJY-HNNXBMFYSA-N 330.436 1.570 0 40 EDAB CCOC(=O)[C@@H](C)n1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1 69663213 BULBBBYXAVBWFG-HIFRSBDPSA-N 345.403 1.371 0 40 EDAB C[S@](=O)CCNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 76041469 BJNIRVPRSGYOFP-UZUQRXQVSA-N 336.457 1.424 0 40 EDAB CCCCn1nnnc1CN1CCc2nn(C(C)C)c(=O)cc2C1 76065016 XCJMOSWLHYOLIX-UHFFFAOYSA-N 331.424 1.169 0 40 EDAB COC[C@H](C)N1CCN(S(=O)(=O)CCc2ccccc2)CC1 78048931 HQJZNGPHVMFTKG-HNNXBMFYSA-N 326.462 1.211 0 40 EDAB CSCc1nc2ccccc2n1CC(=O)N1CCN(CCO)CC1 78762617 ZNUWTWFNSOPCTK-UHFFFAOYSA-N 348.472 1.036 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cccnc3N(C)C)CCO2)n1 78890260 XTXALYRRJQDLND-CYBMUJFWSA-N 344.419 1.432 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)CC[C@@H]3CCCCO3)C2)n[nH]1 78901638 URERUZOWGWVODI-OLZOCXBDSA-N 334.420 1.564 0 40 EDAB O=C(CCc1ccc2c(c1)OCCCO2)NCCNc1ncccn1 79044434 ZKOINLSAEYHXLH-UHFFFAOYSA-N 342.399 1.799 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)NCCC1CCCCC1 53240326 GCSIJLXEXOPCSS-MRXNPFEDSA-N 339.461 1.501 0 40 EDAB COc1ccc(CCNC(=O)C(=O)NCc2ccccn2)cc1OC 4713263 NFDJETXMNDLGBH-UHFFFAOYSA-N 343.383 1.074 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 47028442 LCUXQPGGDDVSMX-ZIAGYGMSSA-N 329.408 1.030 0 40 EDAB COc1ccc(OC[C@H](O)Cn2c(CO)nc3ccccc32)cc1 4906801 GDDPOVCKMSHFFS-CYBMUJFWSA-N 328.368 1.977 0 40 EDAB NC(=O)C1CCN(C(=O)COCc2cc(-c3ccco3)on2)CC1 6876657 ZIKWOKBBZKJDPJ-UHFFFAOYSA-N 333.344 1.175 0 40 EDAB CCn1c(=O)[nH]c2cc(C(=O)N=c3[nH]c4ccccc4[nH]3)ccc2c1=O 47195158 UIONBUFEUSRWSH-UHFFFAOYSA-N 349.350 1.260 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)NCC[S@](=O)c1ccccc1 69623563 YXOXWRBGRMJVIQ-OAQYLSRUSA-N 344.502 1.893 0 40 EDAB CN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 8253922 DQPPQAAUUJYYLY-ZNMIVQPWSA-N 340.431 1.139 0 40 EDAB biogenic,in-vitro O=C(NC[C@@H](O)Cc1ccccc1)c1ccc(N2CCOCC2)cc1 69777584 UMNOPANKKRMUSQ-IBGZPJMESA-N 340.423 1.857 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)CCn2ccc3ccccc32)n1 10536382 ZYNXBOVPVQCANG-UHFFFAOYSA-N 340.387 1.608 0 40 EDAB CCc1nc(CN2CCC[C@H](N[C@H](C(N)=O)c3ccccc3)C2)no1 69740413 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MPMWKMBFEUAALA-ZDUSSCGKSA-N 343.435 1.235 0 40 EDAB O=C(CC[C@@H]1NC(=O)NC1=O)NCC1(c2ccc(F)cc2)CCCC1 48350604 DMILIEUVMOEAQR-AWEZNQCLSA-N 347.390 1.742 0 40 EDAB COc1cccc(C(=O)N2CCN(c3nccc(OC)n3)CC2)c1 29526362 GIOFVHWSBGMPJT-UHFFFAOYSA-N 328.372 1.456 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C1 29632954 HFVMNPLIYMFVDY-INIZCTEOSA-N 344.459 1.558 0 40 EDAB CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1ccsc1 46214092 POZUKYTUGWACOW-HUUCEWRRSA-N 335.473 1.726 0 40 EDAB Cn1nc(C(=O)NCCNC(=O)OC(C)(C)C)c(=O)c2ccccc21 69895480 IZWKCHYHPNKJPL-UHFFFAOYSA-N 346.387 1.188 0 40 EDAB CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 20037546 XTGSCILULPVINI-UHFFFAOYSA-N 327.387 1.254 0 40 EDAB COC(=O)c1ccc(OC(=O)Cn2c(=O)cnc3ccccc32)cc1 13141556 XDPLEGAXDWICHB-UHFFFAOYSA-N 338.319 1.789 0 40 EDAB OCCn1cc(CN2CCN(CCOc3cccc(F)c3)CC2)cn1 69950500 GHXDWBKVAJOICM-UHFFFAOYSA-N 348.422 1.211 0 40 EDAB COc1ccc([C@@H](O)CN2CCN(c3nccc(OC)n3)CC2)cc1 64248529 TUHGLDXAMSXPTI-INIZCTEOSA-N 344.415 1.349 0 40 EDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NC1CC1 13692007 JHHBTGKLCGWFKQ-UHFFFAOYSA-N 327.384 1.780 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNC[C@H](O)c1ccccc1F 65474791 ZMLSKDBZCPYLDG-KRWDZBQOSA-N 348.422 1.527 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1cnc3c(cnn3C(C)C)c1)CC2 65463361 RMZVKKHQVUHHRY-AWEZNQCLSA-N 339.403 1.657 0 40 EDAB Cn1ncc2c(N3CCN(c4cc(F)cc(F)c4)CC3)ncnc21 65415427 GBHXOFSFHXHLED-UHFFFAOYSA-N 330.342 1.968 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@H](c1ccccc1)N1CCN(C)CC1 65568523 JQLSYFVNHAUOLB-SFHVURJKSA-N 346.475 1.006 0 40 EDAB CN(Cc1nc2ccccc2s1)CN1C(=O)C(=O)N(C2CC2)C1=O 14135794 MNHCWKXHPJTUKT-UHFFFAOYSA-N 344.396 1.639 0 40 EDAB CC(=O)Nc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1 14139967 GYJNJCKFIBCBJK-UHFFFAOYSA-N 327.388 1.893 0 40 EDAB CNC(=O)C1CCN(C(=O)Nc2cccnc2-n2cccn2)CC1 65611002 KNWAOGYXXSLCOQ-UHFFFAOYSA-N 328.376 1.257 0 40 EDAB COc1ccccc1[C@H](CNC(=O)C1=NNC(=O)CC1)N1CCCC1 65608195 ULSXAZVWOLYOAC-HNNXBMFYSA-N 344.415 1.214 0 40 EDAB COc1cccc(Cc2nnc(SCCS(C)(=O)=O)o2)c1 66256771 MOKXHKXUIZQHGZ-UHFFFAOYSA-N 328.415 1.806 0 40 EDAB Cc1noc(C)c1CCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 96420530 SPXPGYCWHZJMEG-GOSISDBHSA-N 343.427 1.851 0 40 EDAB C[C@]1(NC(=O)Cc2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 7473278 IWBKCMOJUUIPML-ZDUSSCGKSA-N 335.347 1.941 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCc1ccnn1C 97143194 BIPUXHMLSVNWOQ-QAPCUYQASA-N 341.459 1.782 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCOC[C@@H]2C)sc1C 91041197 BOANZTBFNYCUFY-NEPJUHHUSA-N 332.491 1.752 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)NC(N)=O)c12 97134631 VVACNYVXBODFIC-ZETCQYMHSA-N 332.316 1.149 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@]2(C1)C(=O)Nc1ccccc12 91302880 QLRMTNDTOAFSSX-DIFFPNOSSA-N 332.356 1.828 0 40 EDAB in-vitro CCCCCn1nc(C(=O)NCCC(=O)OC)c2ccccc2c1=O 8277283 COSLZRNOGGDEBQ-UHFFFAOYSA-N 345.399 1.880 0 40 EDAB CCc1cc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)n2ncnc2n1 70014371 VTSKCDNEQPEPAU-LBPRGKRZSA-N 342.378 1.582 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)c1 69445585 DIKUNNRZVVFHRN-AWEZNQCLSA-N 339.399 1.329 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cn1cnc2sccc2c1=O 69592435 URZJTORKCKWVAQ-KBPBESRZSA-N 346.456 1.543 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)Cc1ccccc1O 71898076 LISXQSCUDNNMCW-LLVKDONJSA-N 330.306 1.604 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCC[C@@H]1Cn1cc(C)cn1)C1CCCC1 71869717 REWUPEDTLQNESN-SJORKVTESA-N 332.448 1.877 0 40 EDAB O=C(c1csc(-c2nc[nH]n2)n1)N1CCC[C@H](n2cccn2)C1 71924414 BDZPXLXKIAVPMD-JTQLQIEISA-N 329.389 1.602 0 40 EDAB CCc1ccc(C(=O)NS(=O)(=O)N2CCc3ccccc3C2)o1 72063520 SIFVMCWEZNOILW-UHFFFAOYSA-N 334.397 1.875 0 40 EDAB C[S@](=O)c1nncn1CC(=O)c1ccc(Br)cc1 83990411 UTHOHORBZZAABM-GOSISDBHSA-N 328.191 1.661 0 40 EDAB CCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 408555548 XOHZUYRKNFGNGO-CHWSQXEVSA-N 342.461 1.975 0 40 EDAB OCCn1ncc2c(NCCCOc3ccccc3F)ncnc21 97200005 OZKURNFJTCZDKB-UHFFFAOYSA-N 331.351 1.839 0 40 EDAB Cn1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)ccc1=O 84314443 CJECMAASYCVARN-ZDUSSCGKSA-N 334.759 1.985 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccc2nncn2c1 97082099 VLCUPMDOLBZJMG-UHFFFAOYSA-N 331.282 1.376 0 40 EDAB O=C(NCC[S@@](=O)c1ccccc1F)N1CCOC[C@@H]1C1CC1 97022349 UJOFJZFPRINOHN-FATZIPQQSA-N 340.420 1.754 0 40 EDAB Cc1ccoc1C(=O)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306133444 MLPAEUNZZBTALA-BFHYXJOUSA-N 328.372 1.577 0 40 EDAB Cc1cc(C)c(CNC(=O)COCCOc2ccccc2)c(=O)[nH]1 72281271 QJHASJZZWAZLEE-UHFFFAOYSA-N 330.384 1.704 0 40 EDAB Cc1cc(C)c(CNC(=O)C[C@@H]2Oc3ccccc3NC2=O)c(=O)[nH]1 72240621 LILDDHFRYORVBT-HNNXBMFYSA-N 341.367 1.398 0 40 EDAB NC(=O)c1cnn(CCOC(=O)C[C@@H]2CCc3ccccc32)c1N 72289706 VTFYBHJJDBWXEY-LBPRGKRZSA-N 328.372 1.228 0 40 EDAB CN(Cc1cccc(C(N)=O)c1)[C@H]1CCCN(c2cccnn2)C1 72276668 JXAYBSSVOYVESY-INIZCTEOSA-N 325.416 1.676 0 40 EDAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCN(CCO)CC1 22440958 RZFAIKCBLNHNNW-AKHDSKFASA-N 342.524 1.435 0 40 EDAB Cc1cc(C)n([C@H](C)C(=O)NC[C@H](O)COc2ccc(F)cc2)n1 95417356 UNKFCJKJFCJFNV-HIFRSBDPSA-N 335.379 1.756 0 40 EDAB CN(C)c1cccc(CNC(=O)NCc2cn3ccsc3n2)n1 95438007 PULGFQOVMSHWIR-UHFFFAOYSA-N 330.417 1.856 0 40 EDAB Cc1nccn1-c1cncc(N2CCC(C3(C)OCCO3)CC2)n1 95437099 QBIMKDFNAOEBAB-UHFFFAOYSA-N 329.404 1.950 0 40 EDAB O=CNc1ccc(C(=O)NCC[S@](=O)c2ccccc2F)cc1 73766386 XEGAVDJUVBBCBQ-HSZRJFAPSA-N 334.372 1.932 0 40 EDAB C[C@@](CO)(NC(=O)NC[C@H]1CCS(=O)(=O)C1)C1CCCCC1 88482407 CRBANEHYTVIGCF-DOMZBBRYSA-N 332.466 1.052 0 40 EDAB NC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)c(O)c1 95978871 GYHQPTBKFRYRFC-PSASIEDQSA-N 327.178 1.539 0 40 EDAB Cc1cc(C)n2nc(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2n1 75118756 CDEGJHMUSXTQCJ-UHFFFAOYSA-N 339.399 1.890 0 40 EDAB O=C(C1CC1)N1CCC[C@H](C(=O)N2CC[C@H](CN3CCCCC3)C2)C1 89819156 NEZCQMJGIRDTOP-AEFFLSMTSA-N 347.503 1.969 0 40 EDAB N#CCc1ccc(OCC(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 89830053 OWDMOQLHDKULNP-QGZVFWFLSA-N 338.363 1.944 0 40 EDAB CC[C@@H](C)NC(=O)Cn1ccn(-c2cc(F)ccc2C)c(=O)c1=O 67320240 UZAYKSKHAJZVQD-GFCCVEGCSA-N 333.363 1.361 0 40 EDAB Cc1cn2nc(N[C@H]3CCN(C(=O)c4cnc(C)[nH]4)C3)ccc2n1 515885140 JIQNIEZXRRMADG-LBPRGKRZSA-N 325.376 1.396 0 40 EDAB NC(=O)CN1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 72361861 CTDRRIYWCUBXHW-LLVKDONJSA-N 332.433 1.417 0 40 EDAB CC[C@@H](CCNS(=O)(=O)c1cn(C)nc1C)n1cc(Cl)cn1 36614944 XSMAYYHHKMTIJY-LBPRGKRZSA-N 345.856 1.898 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(Cc2ccncc2)CC1 70782978 ISUAVGNOMIWJIY-DOTOQJQBSA-N 333.432 1.310 0 40 EDAB Cc1ccccc1OC1CCN(S(=O)(=O)N2CCOCC2)CC1 72345701 QAOOQDZMBLOTCN-UHFFFAOYSA-N 340.445 1.415 0 40 EDAB Cn1ccc(-c2cc(C(=O)N3CCOC4(CCOCC4)C3)n[nH]2)c1 520248457 DBHGNAAUJLTKBB-UHFFFAOYSA-N 330.388 1.437 0 40 EDAB O=C(O)c1ccc(I)cc1S(=O)(=O)O 34513540 BKQHZNYMRBGEJI-UHFFFAOYSA-N 328.083 1.236 0 40 EDAB COc1ccc([C@H]2[C@@H](C(=O)NCCCN(C)C)CCC(=O)N2C)cc1 72242053 JBAQQRFVTSKIJC-WMZOPIPTSA-N 347.459 1.673 0 40 EDAB CNC(=O)c1cn[nH]c1[C@]1(C)CCCN(c2cc(C)nc(N)n2)C1 72388787 FCVXTZRMONIRNP-MRXNPFEDSA-N 329.408 1.008 0 40 EDAB CCN(C(=O)[C@H](C)N)C1CCN(C(=O)OCc2ccccc2)CC1 79393125 NZHLTKCNQFEUAG-AWEZNQCLSA-N 333.432 1.983 0 40 EDAB C[C@H]1CN(C(=O)NCCc2ccccc2Cl)CCS(=O)(=O)C1 192162674 AGKDRUXNEZQPRC-LBPRGKRZSA-N 344.864 1.959 0 40 EDAB CCc1cc(=O)n(CCNC(=O)NCCCc2ccccc2)cn1 75166381 OAXWEQOXYOPTIF-UHFFFAOYSA-N 328.416 1.738 0 40 EDAB CC(C)c1nsc(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)n1 195535295 SZIPHDZLCQKKSD-ZDUSSCGKSA-N 337.493 1.652 0 40 EDAB COc1cncc(O[C@H]2CCN(C(=O)COCc3ccccc3)C2)n1 225395794 RZQNQCGTPJDWSD-HNNXBMFYSA-N 343.383 1.682 0 40 EDAB CNc1ccc(C(=O)NCc2ccnc(-c3nn[nH]n3)c2)c(Cl)c1 1579431142 CKCLVTXRNVIENR-UHFFFAOYSA-N 343.778 1.887 0 40 EDAB COC[C@@]1(NC(=O)[C@@H]2CCc3nn[nH]c3C2)COc2ccccc2C1 529959759 RLEWWWJMAUNRLN-KZULUSFZSA-N 342.399 1.046 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)N(CC)Cc2ccco2)s1 41085503 FQIPXVYTGUPLOT-UHFFFAOYSA-N 344.418 1.690 0 40 EDAB O=S(=O)(Nc1ccc(O)nn1)c1cccc(OC(F)(F)F)c1 225707092 GRFSBNVPEHXCQN-UHFFFAOYSA-N 335.263 1.882 0 40 EDAB COc1ncccc1NC(=O)N[C@@H]1CCCc2c1cnn2CCO 47125189 AANXEXGAQLDCMH-GFCCVEGCSA-N 331.376 1.478 0 40 EDAB O=C1[C@H](N2CC[C@@H](O)C2)CCN1c1cccc(Br)c1 192072918 XAFLLVGZDXJGTC-CHWSQXEVSA-N 325.206 1.621 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@H]2[C@@H]1CC[C@@H]2COCc1cccnc1 96082542 DAELHQZGKSIMBQ-HYVNUMGLSA-N 342.399 1.641 0 40 EDAB CN1CC2(CCN(C(=O)c3cnn(C)c3)CC2)C[C@H]1COCC1CC1 96207274 SBGPDVCSGWZMLP-KRWDZBQOSA-N 346.475 1.773 0 40 EDAB O=C(c1ccoc1)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1ccccn1 96215134 REBYIYDZJGNVBB-KBXCAEBGSA-N 341.367 1.332 0 40 EDAB c1cncc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)c1 96108773 CRQIJJRNAYTNCM-RTBURBONSA-N 332.444 1.973 0 40 EDAB O=C1CO[C@@]2(COCCN(Cc3cccs3)C2)CN1c1ccoc1 96051390 FLASPJCJEPZFRX-QGZVFWFLSA-N 348.424 1.976 0 40 EDAB CC(=O)N1CCC(NC[C@H]2COCc3nc4cccnc4n32)CC1 96112783 FDCBSCHABLJLBL-AWEZNQCLSA-N 329.404 1.103 0 40 EDAB biogenic,in-vitro CC[C@@H](C)N(C)CCNC(=O)NCc1cccc(-n2cncn2)c1 96410474 JLKGGSKFRGJNSX-CQSZACIVSA-N 330.436 1.797 0 40 EDAB C[C@H](CNC(=O)C(=O)Nc1ccc2ncccc2c1)N(C)C1CC1 96410753 RYEIOBSLAYNXGZ-GFCCVEGCSA-N 326.400 1.772 0 40 EDAB O=C(O)[C@@H](O)[C@H](O)C(=O)N(Cc1ccccc1)Cc1ccccc1 98088250 QHERASGNOTZQLN-HOTGVXAUSA-N 329.352 1.022 0 40 EDAB Fc1cnc(N2C[C@@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)nc1 96042512 IEBPOXHJYXCLLT-OAGGEKHMSA-N 330.363 1.964 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2C[C@@H](C(=O)N3CCOCC3)O[C@@H]2C1 96042937 JPQDUJLOAKIBMC-BHYGNILZSA-N 349.431 1.130 0 40 EDAB Cn1ccnc1CN1CC[C@]2(COCCN(Cc3ccccn3)C2)C1 96062361 WCMBEHDJUMVKAP-IBGZPJMESA-N 341.459 1.540 0 40 EDAB Cn1nccc1C(=O)NCCC(=O)Nc1nc2c(s1)CCCC2 96192363 SOPVSEAHPGFRDF-UHFFFAOYSA-N 333.417 1.514 0 40 EDAB CCOC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2ncn(CC3CC3)c21 97953882 NBKSQLSOOJHLMD-ZDUSSCGKSA-N 342.465 1.035 0 40 EDAB Cc1cc(CN2CC[C@]3(C2)C(=O)NC[C@@H]3COc2ccccn2)no1 96215115 YFMSRSVBACLJEP-RDTXWAMCSA-N 342.399 1.395 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96223278 RQFXRSZOKUWOQY-LRDDRELGSA-N 346.366 1.215 0 40 EDAB COC[C@]1(N)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242687306 UEGKXVRTHSEBQD-KURKYZTESA-N 347.436 1.979 0 40 EDAB CCOC[C@H]1CCOC12CN(C(=O)COc1ccccc1OC)C2 247927436 QTIHDKONGYINCF-CQSZACIVSA-N 335.400 1.728 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 257222638 DUDLNWRUIXJZHP-MRXNPFEDSA-N 343.431 1.630 0 40 EDAB CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)nc1 257275260 NOPBAHJMYDLFNC-HNNXBMFYSA-N 327.388 1.204 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)Cc1c(C)n[nH]c1C 257313569 UTFRDNHPVYYWLJ-HNNXBMFYSA-N 343.431 1.528 0 40 EDAB Cc1cc(C(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)nn1-c1ccccc1 257325605 WTRMUGUBPMJNQL-BRWVUGGUSA-N 329.400 1.527 0 40 EDAB CN1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3c[nH]c(O)n3)CC[C@H]21 257319769 VTZNRWDRTDKOEA-IIAWOOMASA-N 326.400 1.675 0 40 EDAB CN(C)Cc1nccnc1C1CCN(C(=O)c2cncnc2)CC1 257263318 LPHVFQWFXUTBHX-UHFFFAOYSA-N 326.404 1.348 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccccn3)CCN2C)c1 257204957 AXARBWLPQMHJJH-QGZVFWFLSA-N 338.411 1.570 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@H]1[C@H](C)CN(C)C 585115391 YKSGOCPQUXEMCV-DOMZBBRYSA-N 342.509 1.778 0 40 EDAB CC1(C)CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)[C@@H]1[C@H]1CCCO1 585122108 NYGCIAIJDAGRES-CHWSQXEVSA-N 328.376 1.291 0 40 EDAB COc1ccc(C(=O)N2CCO[C@H](c3nc(C)cc(O)n3)C2)cn1 257243793 IIOGCZAVRZLXQJ-LBPRGKRZSA-N 330.344 1.108 0 40 EDAB CCOCCN1CCN(C(C)=O)[C@@H](c2cccc(C(=O)NC)c2)C1 257317912 VLRISICPYNUWMY-QGZVFWFLSA-N 333.432 1.288 0 40 EDAB C[C@@H](NC(=O)NCCNc1ccccn1)c1nnc2ccccn12 43783789 LKOYRHPKVLTOCS-GFCCVEGCSA-N 325.376 1.597 0 40 EDAB CNC(=O)CN1CCC[C@H]1c1nccnc1Nc1nc(C)cc(C)n1 257258928 KWCZDIKCFXUKTO-ZDUSSCGKSA-N 341.419 1.510 0 40 EDAB CCn1nc(C(=O)N[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)cc1C 257315147 VACFJDQZJUQODL-FVQBIDKESA-N 330.388 1.307 0 40 EDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)CCc1nnc(C(C)C)o1 257331453 XSWUWGGDYZCSOK-LBPRGKRZSA-N 333.392 1.757 0 40 EDAB Cc1ccncc1[C@H]1CCN(C(=O)CN2CCCC[C@H](O)C2=O)C1 606444382 AKLAMNZXHPLPQD-HOCLYGCPSA-N 331.416 1.079 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H]1c1noc(Cn2ccccc2=O)n1 1615055173 HTMOJCYWESQRPX-LLVKDONJSA-N 332.360 1.962 0 40 EDAB CC(C)(C)NC(=O)c1cccc(CNC(=O)c2cc(=O)cc[nH]2)c1 1615041535 UWQHZSYESUDIPB-UHFFFAOYSA-N 327.384 1.833 0 40 EDAB CCOc1cc(N2CCC(N3CCC[C@H]3C(=O)OC)CC2)nc(C)n1 1615585463 HXEDNDYOBXQBGR-HNNXBMFYSA-N 348.447 1.790 0 40 EDAB CN(Cc1nnc2n1CCOCC2)C(=O)[C@H]1COc2ccccc2C1 1615551556 XRQHBEPQJLGYBT-CQSZACIVSA-N 342.399 1.061 0 40 EDAB CC(C)Oc1ccc(C(=O)NCc2nc(-c3cnn(C)c3)no2)cn1 390829146 DAVHMFVVBFHDBL-UHFFFAOYSA-N 342.359 1.582 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)CCc1cc(Cl)no1 585277641 JSXLGGDCQUULLD-HNNXBMFYSA-N 343.811 1.404 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2cc(C)ccn2)Cc2cccn2C1 585099138 OYGYGPOYUFMNMR-CQSZACIVSA-N 326.400 1.600 0 40 EDAB O=C(NCCN1CCCCCC1=O)NCc1ccc2c(c1)OCCO2 47862405 BMKXSHRXDBIRGG-UHFFFAOYSA-N 347.415 1.660 0 40 EDAB CCOC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 53239656 VBYVSVRCGLFYDI-DZGCQCFKSA-N 332.400 1.145 0 40 EDAB CCCCc1nc(CN2CCC[C@@H](NS(C)(=O)=O)C2)cs1 58440463 GWMUKRHSLAJQQP-GFCCVEGCSA-N 331.507 1.999 0 40 EDAB Cn1cc(CNCC2CCN(C[C@H](O)c3ccccc3)CC2)cn1 69490766 MSQJAPVSGWIXSJ-IBGZPJMESA-N 328.460 1.955 0 40 EDAB O=C(Nc1nnn[nH]1)c1ccc(I)c(F)c1 71856777 RMCDUQUSXOCJEQ-UHFFFAOYSA-N 333.064 1.196 0 40 EDAB CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NC1CC1)c1ccccc1 97205521 XPTUEBSCFWZDQW-IRXDYDNUSA-N 343.427 1.524 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cocn3)CC2)cc1 1615570203 ALRYMFQGTFVQBV-UHFFFAOYSA-N 349.412 1.384 0 40 EDAB CN(C)CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 2285955 BQWKYYPRNBIALR-SSZFMOIBSA-N 327.384 1.728 0 40 EDAB COc1ccccc1CNC(=O)C[C@H]1CSc2ncc(C)c(=O)n21 14032051 CSSAPCYVBLTJDT-ZDUSSCGKSA-N 345.424 1.914 0 40 EDAB O=C(NCCn1nc([C@@H]2CCNC2)c2cccnc21)[C@@H]1CC=CCC1 19346728 RABADMAGKBJXIN-HUUCEWRRSA-N 339.443 1.981 0 40 EDAB O=C1NC[C@]2(CCCN(C(=O)c3ccccn3)C2)Oc2ccccc21 19374790 CXLNPHWTSJREGO-IBGZPJMESA-N 337.379 1.879 0 40 EDAB Cc1ccccc1-c1cc2cnc(S(C)(=O)=O)nc2n(C)c1=O 167530219 JQMDQOPSMHDRJT-UHFFFAOYSA-N 329.381 1.707 0 40 EDAB COC(=O)[C@H]1CN(C(=O)NCCc2cccc(Cl)c2)C[C@@H](C)O1 151155016 QTRZPXKRXJRBJK-BXUZGUMPSA-N 340.807 1.854 0 40 EDAB CC[C@H](C)S(=O)(=O)N1CCc2nc(C3CCNCC3)ncc2C1 19500032 UBHOOAVDGDDVCW-LBPRGKRZSA-N 338.477 1.430 0 40 EDAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)NC3CCOCC3)C2)nc1 1889119408 PQTLMOBUHUCOEA-HNNXBMFYSA-N 333.436 1.574 0 40 EDAB COc1cnc(O[C@@H]2CCN(Cc3nnc([C@H]4CCOC4)o3)C2)nc1 2086968363 GUHKDMPUIZSRRA-NWDGAFQWSA-N 347.375 1.025 0 40 EDAB Cc1nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)nn2c1C 2087022443 AZNJGXWCLZFIKO-UHFFFAOYSA-N 337.387 1.099 0 40 EDAB CCc1nnc(NC(=O)CSc2nc(=O)[nH]c3c2CCC3)s1 4316881 DLSWASVIYIYACI-UHFFFAOYSA-N 337.430 1.403 0 40 EDAB O=C(NCc1ccccc1)C(=O)NC[C@@H]1COC2(CCCCC2)O1 5350456 KEBAAPDJKJUIDE-OAHLLOKOSA-N 332.400 1.495 0 40 EDAB COc1ccc(CCNC(=O)NCCn2ccn3nccc23)cc1 206747693 HTTCJZWMUQPPNF-UHFFFAOYSA-N 327.388 1.686 0 40 EDAB CCCc1nnsc1C(=O)N1CCC[C@@H](Oc2cccnn2)C1 225455112 AWORBKCNXBHWRE-LLVKDONJSA-N 333.417 1.964 0 40 EDAB C[C@H](C(=O)NCc1ccc(F)cc1F)n1nnc2ccccc2c1=O 44450548 IMGVDYSKPCISNI-SNVBAGLBSA-N 344.321 1.947 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CC[C@H](Oc2ccncn2)C1 575610224 FMDCWPHQTJTYRW-ZDUSSCGKSA-N 342.355 1.568 0 40 EDAB Cn1cc(-c2ccc(CNS(=O)(=O)CCC(F)(F)F)cn2)cn1 575617139 SPUCZFQVOHZPHZ-UHFFFAOYSA-N 348.350 1.854 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@@H](c2ccsc2)n2cccn2)cn1 575613620 IKCYDLWDJXODOC-ZDUSSCGKSA-N 337.430 1.246 0 40 EDAB O[C@H]1CCCC[C@H]1N1CCN(c2cc(-n3cccn3)ncn2)CC1 2298178399 OCYFJXSEEGTCSV-CABCVRRESA-N 328.420 1.088 0 40 EDAB CC[C@@H](C(=O)OC)n1cnc2c(nnn2-c2ccc(F)cc2)c1=O 4139900 QIMWZPZWLNXVBL-NSHDSACASA-N 331.307 1.240 0 40 EDAB CN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 10431687 BCAHJNBJWKUXMG-OAHLLOKOSA-N 333.413 1.191 0 40 EDAB C[C@H]1NC(C(=O)NCCCOCC2CC2)=NN(c2ccccc2)C1=O 40145297 XUUJOIHBRUTKOC-CYBMUJFWSA-N 344.415 1.258 0 40 EDAB C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1ccc(F)cc1 31096187 IHRAQFUUILUBIG-LLVKDONJSA-N 331.413 1.467 0 40 EDAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 40505687 HUYRNWQBRCDITH-QMMMGPOBSA-N 326.278 1.334 0 40 EDAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCCN1CCOCC1 20567988 BSAIMKOUXIWAHG-OAHLLOKOSA-N 336.432 1.691 0 40 EDAB CS(=O)(=O)NC1CCN(CCCOCCc2ccccc2)CC1 51472651 VRDPMNBWBUIATN-UHFFFAOYSA-N 340.489 1.649 0 40 EDAB C[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(CC(N)=O)c2ccccc21 299972 GGARBVOVUGOSFF-BLVKFPJESA-N 338.363 1.225 0 40 EDAB O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1nc2ncccn2n1 339049 HPTJZPORKAROIC-UHFFFAOYSA-N 337.318 1.761 0 40 EDAB Cc1csc(N2CCN(C(=O)CCCc3nc(C)no3)CC2)n1 52641636 LYTFJRBMYOGRAD-UHFFFAOYSA-N 335.433 1.814 0 40 EDAB CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1cccc[n+]1[O-])C1CC1 78597566 KCTHKISYXVREEQ-KRWDZBQOSA-N 335.404 1.743 0 40 EDAB CC[C@H](CCO)CNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 79074288 UDBRRULIBJUAOG-PBHICJAKSA-N 338.423 1.724 0 40 EDAB O=C(Cn1ccc2ccc(Cl)cc21)N[C@@H]1CCS(=O)(=O)C1 52982578 UNUKMPSDEFCPBI-GFCCVEGCSA-N 326.805 1.598 0 40 EDAB COC(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1 4126918 NISLTMRZMUZZOT-UHFFFAOYSA-N 333.373 1.158 0 40 EDAB COC[C@@H](CCO)NC(=O)c1cccn(Cc2cccc(C)c2)c1=O 84210741 UPHCJCLWTXBIGO-MRXNPFEDSA-N 344.411 1.332 0 40 EDAB CCCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCc2nccn2C1 97197665 UENZCXQDUOFDLD-ZDUSSCGKSA-N 347.440 1.812 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c(Br)c1 37396743 QJZCNQFSOAABMZ-SNVBAGLBSA-N 347.234 1.396 0 40 EDAB O=S1(=O)CC[C@H](NCc2ccc(OCc3ccncc3)cc2)C1 42186709 YQRFMHPYBRRJSB-INIZCTEOSA-N 332.425 1.937 0 40 EDAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CC[C@@H](C(N)=O)C3)c12 53893746 CPYDOLSLQCOZPJ-LLVKDONJSA-N 329.404 1.348 0 40 EDAB Cc1ccc2nc(CNc3cccc(-n4cnnn4)c3C)cc(=O)n2c1 22896033 JBKAWXAMOZFIED-UHFFFAOYSA-N 347.382 1.899 0 40 EDAB CCOC(=O)N1CCN(c2nc3c(c(NC)n2)C(=O)CCC3)CC1 10157626 XIRXSIFSBDRHGB-UHFFFAOYSA-N 333.392 1.316 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@@H]1CC(=O)N(C2CCCC2)C1 22989740 KCSDLACDTCFOCN-GFCCVEGCSA-N 340.387 1.392 0 40 EDAB CCc1ccc(OC[C@H](O)CN2CCC(N3CCNC3=O)CC2)cc1 51449953 GPOUKVIQMXNFFF-QGZVFWFLSA-N 347.459 1.478 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(c2nccs2)CC1 23009596 JGEHLVFIIGTJSY-UHFFFAOYSA-N 345.384 1.243 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 47400052 CYWCLPHXOCUODP-HIFRSBDPSA-N 346.383 1.505 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CN2CCN(c3ccc(F)cc3)CC2)C1=O 23640849 ZZGXZXQWPNBFFM-GOSISDBHSA-N 346.406 1.626 0 40 EDAB C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)c1nnc2ccccn12 23700392 OMVDMCHVZFLLSI-NSHDSACASA-N 344.396 1.624 0 40 EDAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 24094927 VQHPTSKYIFGLEM-BHYGNILZSA-N 345.395 1.804 0 40 EDAB COc1cc(S(=O)(=O)NCc2ccncc2)ccc1NC(C)=O 12561633 LTTWKAQSGVBXFI-UHFFFAOYSA-N 335.385 1.527 0 40 EDAB Nc1nc(CN2CCN(C[C@@H]3CCCCO3)CC2)nc2ccccc12 25026309 LRVSEJHUBVSPDB-HNNXBMFYSA-N 341.459 1.899 0 40 EDAB CCCS(=O)(=O)N[C@@H](C)C(=O)N(Cc1cccs1)C1CC1 42776891 LVPNVGBNMNNBLV-NSHDSACASA-N 330.475 1.957 0 40 EDAB O=C1C[C@H](C(=O)N2CCN(C3CCCC3)CC2)CN1Cc1ccco1 34915978 FCZKSEIGJPUCRW-HNNXBMFYSA-N 345.443 1.715 0 40 EDAB Cc1cccc(CN2CCN(CC(=O)Nc3cc(C)nn3C)CC2)c1 25750595 KVTUHSQUOFZSQY-UHFFFAOYSA-N 341.459 1.793 0 40 EDAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(c2ncccn2)CC1 57395516 KHQFBQMHJZJJQA-GFCCVEGCSA-N 347.369 1.904 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)cc2)c1=O 57525627 SSHDVCAGFYNGEZ-UHFFFAOYSA-N 341.342 1.156 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 3288360 QWLXJXLCPVOPCA-UHFFFAOYSA-N 331.372 1.888 0 40 EDAB CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1F 27349905 DUFBAVYRRZYPTM-UHFFFAOYSA-N 338.404 1.984 0 40 EDAB COC(=O)C12C3(C(=O)OC)[C@@]45C=C[C@]1(CC[C@@]21C=C[C@@]3(CC4)O1)O5 104212586 ZRMNJZIXDIHSBJ-OLQSNFDLSA-N 330.336 1.048 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)CN2CCCC[C@H]2C(=O)OC)c1C 27561470 BXAXFFJDZDXBCZ-LBPRGKRZSA-N 336.388 1.628 0 40 EDAB Cc1ccc2nc(CN3CCn4c(nnc4C4CC4)C3)cc(=O)n2c1 71880270 ZAFRSJPCRIDNTI-UHFFFAOYSA-N 336.399 1.488 0 40 EDAB O=C(CN1CCC[C@@H](N2CCNC2=O)C1)c1c[nH]c2ccccc12 71800052 MTUBDRQSQWYKSN-CYBMUJFWSA-N 326.400 1.840 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@H]1c1ccccc1 2129948 COWBQAPHSZVTBC-CYBMUJFWSA-N 326.352 1.561 0 40 EDAB biogenic Cc1ccc(CNC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 48278924 PNXDOAGBXNKUEX-UHFFFAOYSA-N 339.399 1.648 0 40 EDAB C[C@@H](NC(=O)CCn1nc(-c2cccs2)oc1=O)[C@H]1CCCO1 44912013 ODFSCTRIZCVLHF-GHMZBOCLSA-N 337.401 1.639 0 40 EDAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCN(c2cnccn2)CC1 44942714 XMVLVXHYHJBDCE-UHFFFAOYSA-N 348.410 1.554 0 40 EDAB COc1ccc(CCN2CCN(c3cc(C)nc(N)n3)CC2)cc1 71836880 FPZQRZRNVRBGLJ-UHFFFAOYSA-N 327.432 1.741 0 40 EDAB CC(C)N1CCC[C@H](CNC(=O)Cc2ccc(-n3cnnn3)cc2)C1 58393648 XLIDIZVMEBEJLI-MRXNPFEDSA-N 342.447 1.441 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccc3c(c2)OCO3)C1 28083682 HCFVGZOMWDBOKA-GFCCVEGCSA-N 326.418 1.824 0 40 EDAB C[C@H](NC(N)=O)C(=O)OCCOc1ccc(Br)cc1 3304270 CXPIYOFSVDGSDB-QMMMGPOBSA-N 331.166 1.428 0 40 EDAB Cc1cccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)n1 28195078 URJNWTQZSMIIHC-UHFFFAOYSA-N 344.396 1.457 0 40 EDAB O=c1n(Cc2nc(-c3cccs3)no2)nnn1-c1cccs1 36636879 JLAZJRUFSNVGMR-UHFFFAOYSA-N 332.370 1.650 0 40 EDAB O=S(=O)(NC[C@@H]1CCOC1)c1ccccc1OC(F)(F)F 45743129 HYEJIFXLFDHTQQ-VIFPVBQESA-N 325.308 1.900 0 40 EDAB COC(=O)[C@@H](C)Sc1nnc([C@H]2COc3ccccc3O2)n1C 11501812 QYWGOWZIZQGYIB-BXKDBHETSA-N 335.385 1.981 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 37991518 PANRYTDWFCEFBR-JTQLQIEISA-N 331.825 1.136 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 48374457 LLFYQUVKHVKRRI-HNNXBMFYSA-N 332.425 1.678 0 40 EDAB Cc1c(F)cccc1NC(=O)[C@H](CC(N)=O)NC(=O)OCC(C)C 409001117 GYUXZVAPIXJVPC-ZDUSSCGKSA-N 339.367 1.699 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCN2C1=O)NC12CC3CC(CC(C3)C1)C2 18408035 CJXFTPDEXHNUHZ-UDMGLPGGSA-N 331.416 1.498 0 40 EDAB COc1ccc2c(C)c(CC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c1C 4060983 OBXIDNNXFQACNF-JTQLQIEISA-N 333.340 1.550 0 40 EDAB biogenic CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)O)CC2)C1 13623937 UXUGMLIDQSUODU-ZDUSSCGKSA-N 340.420 1.957 0 40 EDAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2cccc(O)c2)N1CCO 13718759 GELCIDYIKMWDBA-WBVHZDCISA-N 349.408 1.034 0 40 EDAB O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCS(=O)CC1 65551701 RHRSDNRCJJDVNV-UHFFFAOYSA-N 340.408 1.601 0 40 EDAB CCn1nnnc1S[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 9076975 GMHLNNFQEHDDON-SECBINFHSA-N 337.405 1.788 0 40 EDAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCC[C@H]2C(=O)O)c2ccccc21 110063163 FDIVFEHMTLBYPN-ZFWWWQNUSA-N 346.339 1.401 0 40 EDAB CC(=O)N1CCc2cc(NC(=O)CNC(=O)c3ccco3)ccc21 14164763 YSKAXMUCEHQWFI-UHFFFAOYSA-N 327.340 1.557 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCc2sccc2C1 14175256 XSKCHILMBYBZMP-UHFFFAOYSA-N 333.413 1.497 0 40 EDAB CN(CCNC(=O)c1ccc(CS(C)(=O)=O)cc1)C1CCCC1 65625937 WELJREJQECACBB-UHFFFAOYSA-N 338.473 1.835 0 40 EDAB CCN(CC)CCNC(=O)Cc1csc(N2CCCNC2=O)n1 65611512 HQHYTEWHGAQNLG-UHFFFAOYSA-N 339.465 1.063 0 40 EDAB CC(C)n1nnnc1S[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14250543 SMILBEVPMDZHBY-MRVPVSSYSA-N 347.404 1.543 0 40 EDAB CCCCNC(=O)N1CCN(c2ncnc3c(C)nn(C)c23)CC1 28557317 AIUZXPAMGCTURC-UHFFFAOYSA-N 331.424 1.303 0 40 EDAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 28577335 VPRYJXIQUBDDAA-ZDUSSCGKSA-N 345.486 1.758 0 40 EDAB CCCN1C(=O)N/C(=C/c2ccccc2OCC(=O)OCC)C1=O 409240123 JRGBFTLTNXJIQY-JLHYYAGUSA-N 332.356 1.931 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C)CC2)cc1 4890605 BGKPXHKDPMXTNP-UHFFFAOYSA-N 340.445 1.574 0 40 EDAB COc1ccc(CNC(=O)c2nnn(Cc3ccccc3)c2N)cc1 4852176 HOYUUBBGDVLYHC-UHFFFAOYSA-N 337.383 1.847 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2ccnnc2)[C@H]1Cc1ccccc1 306138213 RSKHUUIJVOMTTN-ROUUACIJSA-N 341.411 1.965 0 40 EDAB CC(C)[C@@H]1NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 9388596 UKNOUJSVCIDJAT-ZBFHGGJFSA-N 329.400 1.757 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)OCc1cccc(F)c1F 16654722 BWEZEXJGAMHUBO-UHFFFAOYSA-N 331.278 1.813 0 40 EDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@H](C(N)=O)C2)CC1=O 8131825 CWYMQBSTEBHBJV-VNQPRFMTSA-N 343.427 1.320 0 40 EDAB CCN(CC)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 8345830 JOSYJHUIWRJVFF-UHFFFAOYSA-N 342.461 1.858 0 40 EDAB COc1cccc(S(=O)(=O)CCN2CCN(CC(F)F)CC2)c1 69420615 YRIAFVDMMXNZJL-UHFFFAOYSA-N 348.415 1.352 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)C(=O)NCCc1nccn1C(F)F 69445398 LJBSRELXRHQIRB-NSHDSACASA-N 348.353 1.915 0 40 EDAB CCc1nnc2n1CCN(C[C@H](O)CN(C)Cc1ccccc1)C2 69588240 KCEQKCOMXKZTEV-MRXNPFEDSA-N 329.448 1.149 0 40 EDAB CCCOc1ccc(CNS(=O)(=O)c2ccc(C(N)=O)cc2)cn1 69654831 XKAAZTTXKSNEDH-UHFFFAOYSA-N 349.412 1.448 0 40 EDAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69774070 GWGROSVYMATSDM-CYBMUJFWSA-N 345.447 1.863 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 69740841 INQDEPRMSKBLHS-UHFFFAOYSA-N 336.457 1.258 0 40 EDAB CN(CCNS(C)(=O)=O)C(=O)c1ccc(Cl)c(Cl)c1 69769521 UCSATXGWAUJBPF-UHFFFAOYSA-N 325.217 1.615 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN([C@H](C(N)=O)c3ccc(F)cc3)C2)n1 69845926 VEAXDIGCTKMNLB-PBHICJAKSA-N 345.422 1.973 0 40 EDAB CC(C)(C)c1ncc(NC(=O)NCC(=O)Nc2cccnc2)cn1 69812830 IWPIHBHZKOJSLK-UHFFFAOYSA-N 328.376 1.929 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccc(Br)o2)CC1 69878319 ILZRMWOWSJZPMX-JTQLQIEISA-N 331.210 1.571 0 40 EDAB Cc1ccc(NC2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)nn1 69901643 LQRRMYRNKSYVSH-UHFFFAOYSA-N 340.431 1.963 0 40 EDAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)CNC(=O)CC(C)(C)C 69901271 QKXQKPLFLRTIFJ-CQSZACIVSA-N 332.400 1.670 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cnc3sccn3c2=O)c1 69927517 SYGWVAVHNIWIKE-GFCCVEGCSA-N 343.412 1.566 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@@H]1CCOC1)c1cccc(Br)c1 69927690 BAXDWTVKULTUJA-KOLCDFICSA-N 327.178 1.128 0 40 EDAB COc1ccccc1-c1noc([C@H](C)NC(=O)[C@@H](C)NC(C)=O)n1 72303532 ZLGKQCYEAUZSQF-ZJUUUORDSA-N 332.360 1.447 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(CCCc2cn[nH]c2)C1 84304161 AARQDSKTMJVLFD-INIZCTEOSA-N 343.479 1.555 0 40 EDAB Cn1ccnc1CN1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 97084118 VBZOGJICIAOEMU-AWEZNQCLSA-N 325.372 1.073 0 40 EDAB C[C@H](C(N)=O)N1CCN(Cc2cn(C)nc2-c2ccccc2)CC1 97033949 YMYXTKBYTWTTQP-CQSZACIVSA-N 327.432 1.079 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@H]1CCc2nc(C)cn2C1 72282654 RRPDPQAGLBWJEW-WBVHZDCISA-N 338.411 1.600 0 40 EDAB CN(C)C(=O)Cc1nc(CN2CCn3c(nnc3C3CC3)C2)cs1 72268830 ZANJJGCFLKIGQS-UHFFFAOYSA-N 346.460 1.259 0 40 EDAB CCC(=O)Nc1cccc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c1 72290323 CAQNXFIWHIWCDH-VXGBXAGGSA-N 338.429 1.683 0 40 EDAB CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 95381616 LTMPBUSVECMXSS-GFCCVEGCSA-N 339.421 1.471 0 40 EDAB O=C(CCNC(=O)c1ccc2ccccc2c1)O[C@@H]1CCOC1=O 84605817 FEMFZFGFHLFOSO-OAHLLOKOSA-N 327.336 1.818 0 40 EDAB CC[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@H]1N1CCOCC1 84735897 TZCUYVLIQNVIKP-SJLPKXTDSA-N 344.455 1.733 0 40 EDAB CC(C)CCC[C@H](C)NC(=O)CN1C(=O)N[C@]2(CCOC2)C1=O 95439406 BPDHLIJTQMSBAS-LRDDRELGSA-N 325.409 1.028 0 40 EDAB CN(C[C@@H]1CCC[C@@H]1O)C(=O)Cc1ccc(N2CCCC2=O)cc1 95438522 YOBCQFULSTWYBH-RDJZCZTQSA-N 330.428 1.975 0 40 EDAB Cc1ccn(CC(=O)NCc2cccc(N3CCCC3=O)c2)c(=O)c1 95417885 HNMLDRJMJKKZRA-UHFFFAOYSA-N 339.395 1.600 0 40 EDAB Cc1ccc(C(=O)NC[C@H](O)c2cnn(C)c2)c(Br)c1 95974548 JHIMNFZFNHRVLT-ZDUSSCGKSA-N 338.205 1.954 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)NC(=O)Cc2csc(C)n2)c1 89585514 YAXRIERRDLYZKL-UHFFFAOYSA-N 328.390 1.947 0 40 EDAB Cc1cc2nc(C)c(CCC(=O)N3CCN(C)C[C@H]3C)c(C)n2n1 89610773 DJSJHISTFZVOSI-CYBMUJFWSA-N 329.448 1.750 0 40 EDAB CC(C)N1C(=O)N[C@](C)([C@H]2CCCN(CCOCC3CC3)C2)C1=O 89869736 RCZAZSHASZTHFM-MAUKXSAKSA-N 337.464 1.844 0 40 EDAB Cn1cc([C@]2(C)CN(C(=O)COc3ccccc3F)CCO2)cn1 89919532 ACOWMHQOVOVJNG-KRWDZBQOSA-N 333.363 1.712 0 40 EDAB C[C@@](O)(CNC(=O)c1ccc(Cn2ccnc2)cc1)C(F)(F)F 89901221 PHEPDEHCEGSLEL-CQSZACIVSA-N 327.306 1.975 0 40 EDAB NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 409239905 ODQVUOYGICBNFH-UHFFFAOYSA-N 332.425 1.626 0 40 EDAB Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc(C(N)=O)cc2)c1C 36354545 OSNIAMDVXFMVKM-UHFFFAOYSA-N 342.384 1.692 0 40 EDAB Cc1ccc(CNC(=O)CNC(=O)[C@@H]2Cc3ccccc3CN2)cc1 35360344 QNFWBRDQOXEDMM-SFHVURJKSA-N 337.423 1.442 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)c2ccn(-c3ccccc3)n2)c1 31547182 UWXIUTGZPGIHLO-UHFFFAOYSA-N 342.380 1.772 0 40 EDAB CCc1n[nH]c2c1CN(C(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)CC2 32547762 KPKCHCHHMFWRKJ-GUYCJALGSA-N 338.411 1.387 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218465888 VNHCISAJECAVFL-DYEKYZERSA-N 331.821 1.359 0 40 EDAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCNC(=O)C2)cc1 36382144 PIYDWIXLWYSPPJ-SFHVURJKSA-N 339.395 1.807 0 40 EDAB CNC(=O)c1ccc([C@@H]2CCCN(c3cnccn3)C2)nc1N(C)C 72368879 LURGJERDEXBQPS-CYBMUJFWSA-N 340.431 1.681 0 40 EDAB COc1ccc(Oc2cncc([C@@H]3CCCN3CC(N)=O)n2)cc1 72383618 QNFPZQMCSDIYQH-HNNXBMFYSA-N 328.372 1.900 0 40 EDAB CCCn1c(=O)sc2cc(S(=O)(=O)N3CCOCC3)ccc21 75433496 RFCGOXPFMRDJOM-UHFFFAOYSA-N 342.442 1.494 0 40 EDAB COc1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1Cl 35597105 SJVBPZITHRZYIY-UHFFFAOYSA-N 337.763 1.605 0 40 EDAB O=C(c1ccccc1Cl)N1CCN(c2ncnc3[nH]cnc23)CC1 30819303 DLNGZGMJWUKJHD-UHFFFAOYSA-N 342.790 1.969 0 40 EDAB Cc1cc2c(o1)c1cnn(CC(=O)NC3CCCC3)c(=O)c1n2C 72335327 COFUKJVFDKCUEW-UHFFFAOYSA-N 328.372 1.848 0 40 EDAB CCn1nc(C)c(S(=O)(=O)NCCCn2nc(C)cc2C)c1C 72239042 DQJPMUCFPFRVPM-UHFFFAOYSA-N 339.465 1.702 0 40 EDAB COC[C@@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218462597 IACDCIOXDGHDNU-GVXVVHGQSA-N 333.862 1.769 0 40 EDAB CC1CCN(S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)CC1 224049176 JGFZZIPYDHPPBH-UHFFFAOYSA-N 346.478 1.943 0 40 EDAB O=C(Cn1cccn1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225728758 XPNVMJDOWNUQPI-UHFFFAOYSA-N 340.309 1.041 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)N2CCOC3(CCC3)C2)cc1F 569249645 USENRTWUKCKSSD-UHFFFAOYSA-N 329.349 1.468 0 40 EDAB c1nc(N2CC[C@@]3(CCOC3)C2)cc(N2CC[C@@]3(CCOC3)C2)n1 195567123 CTFOIIZPYVKVEY-QZTJIDSGSA-N 330.432 1.710 0 40 EDAB Cc1nn2c(nnc3c(=O)n(-n4cnnc4)ccc32)c1-c1ccccc1 40390965 XAOPNBHCOMIHAU-UHFFFAOYSA-N 344.338 1.318 0 40 EDAB O=S1(=O)C2(Br)C=C[C@H]3[C@@H](C=C2)C31Br 45028176 UQYGFMREBSTCLK-XEDAXZNXSA-N 326.009 1.969 0 40 EDAB C[C@]1(C(=O)NCCn2cccn2)Oc2ccc(Cl)cc2NC1=O 41549002 JNKNEOQKYYQPJQ-OAHLLOKOSA-N 334.763 1.443 0 40 EDAB C[C@H]1CN(C(=O)NC[C@H](C)[S@@](C)=O)CCN1CC(F)(F)F 195546966 KSVWQCIKRXFBNF-SWHJWPDWSA-N 329.388 1.031 0 40 EDAB Cc1cnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)s1 225511841 PWQSXSWPKQQHPN-UHFFFAOYSA-N 344.487 1.727 0 40 EDAB Cc1cnc(NC(=O)[C@H]2COCC(=O)N2Cc2cccs2)s1 85472624 WAPBBKCPBDYBHY-LLVKDONJSA-N 337.426 1.879 0 40 EDAB Cc1nnc(CN2CCN(C)[C@H](c3nc(C4CC4)no3)C2)n1C1CC1 578345986 JTDZHPAKJUCSEY-AWEZNQCLSA-N 343.435 1.671 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccoc1)C2)c1cccnc1 96108506 MTGYXZOQYRWETI-AEFFLSMTSA-N 327.384 1.553 0 40 EDAB O=C(NC[C@H]1OC[C@@H]2CN(Cc3ccco3)CC[C@@H]21)c1cccnc1 96056213 WIGRYQORBFZAQE-RYQLBKOJSA-N 341.411 1.942 0 40 EDAB CCc1ccccc1S(=O)(=O)N1CCN(c2nnc(C)n2C)CC1 585115415 ZBNTWUWLOJSDBI-UHFFFAOYSA-N 349.460 1.197 0 40 EDAB CN1CCC(CN[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1 585136301 AFJDDHQQOLTYQF-HNNXBMFYSA-N 327.469 1.554 0 40 EDAB Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](Cc1ccccc1)C(N)=O)C2 96430734 FMESYMWTBMMNFO-SJLPKXTDSA-N 338.407 1.820 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1C[C@H](O)C[C@H]1c1ccc(F)cc1 583615416 HMUQJZZMMOWMIQ-JWKHOVOOSA-N 346.406 1.601 0 40 EDAB C[C@]1(NC(=O)CNC(=O)c2ccccc2Br)CCOC1 96487273 DRUPCTOFRITBJO-AWEZNQCLSA-N 341.205 1.474 0 40 EDAB CN1CCO[C@@H](C(=O)NCCNc2cccc(Br)c2)C1 96497186 JTXVHVNETJGQQS-CYBMUJFWSA-N 342.237 1.308 0 40 EDAB c1cnc(N2CCOC[C@@]3(CCCN(c4nncs4)C3)C2)cn1 96229143 RPSOCARODYQZOP-HNNXBMFYSA-N 332.433 1.452 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2C[C@@H](COc3ccccn3)C[C@@H]21 96082826 AQGZENVWZRHBLK-BPUTZDHNSA-N 340.383 1.570 0 40 EDAB COc1cc(=O)n(CC(=O)Nc2ccon2)nc1-c1ccccc1 96100847 CWRXCGJXLOWLIM-UHFFFAOYSA-N 326.312 1.546 0 40 EDAB CN(C)C(=O)Cc1ccc(NCc2nnnn2-c2ccccc2)cc1 96414775 RUXHPBCKEQALAI-UHFFFAOYSA-N 336.399 1.905 0 40 EDAB COC(=O)[C@H](C)CS(=O)(=O)NCC1(C)Cc2ccccc2C1 93938924 VADVWEIGBMESGE-GFCCVEGCSA-N 325.430 1.520 0 40 EDAB C[C@@H](CNC(=O)Cn1cnnn1)Oc1ccccc1Br 96451762 ZUMCKPCNWGCTIB-VIFPVBQESA-N 340.181 1.019 0 40 EDAB c1cnc(NCc2noc3c2CN(CCN2CCCC2)CC3)nc1 96259736 LMASLBDUHQJWAX-UHFFFAOYSA-N 328.420 1.531 0 40 EDAB NCC1(O)CCN(c2noc3ccc(Br)cc23)CC1 582476988 PIUPXGRJPIGZES-UHFFFAOYSA-N 326.194 1.880 0 40 EDAB O=S(=O)(c1ccccc1)N1CC[C@@]2(C[C@H](n3ccnc3)CO2)C1 96219681 SNSLZVGOSMSTGX-GOEBONIOSA-N 333.413 1.678 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)Cc1csc(-c3ccco3)n1)CC2 97199112 OHMMRTKFVKDQLK-NSHDSACASA-N 343.412 1.977 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)COc1c(C)nn(C)c1C 95412306 NQFOCFUZSRYWKW-SNVBAGLBSA-N 333.436 1.513 0 40 EDAB CCOC[C@]12CCCO[C@H]1CCN(S(=O)(=O)c1cccnc1)C2 96039429 NDKIGEMIYPQSPT-JKSUJKDBSA-N 340.445 1.678 0 40 EDAB CC1(C)CN(S(=O)(=O)c2cccc3ncccc23)CC[S@]1=O 96461886 KDPKFCOGDWDCFS-NRFANRHFSA-N 338.454 1.766 0 40 EDAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccco3)CC[C@@H]21 96064405 JWHOCBUXKVNVEU-VYDXJSESSA-N 329.404 1.383 0 40 EDAB O=C(c1ccncn1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 247842116 FUQOWKBTRKCCDW-LBPRGKRZSA-N 328.397 1.651 0 40 EDAB C[C@H]1CN(S(=O)(=O)N2CCc3ccc(F)cc3[C@H]2C)CCO1 245339350 SEPIPQLDQGZNOE-NWDGAFQWSA-N 328.409 1.710 0 40 EDAB CN1C(=O)CCC[C@H]2CN(C(=O)c3cnn4cccnc34)CC[C@H]21 257222165 DSERFLDAFXGWHJ-GXTWGEPZSA-N 327.388 1.202 0 40 EDAB CCOc1ccccc1[C@@H]1NC(=O)N[C@](O)(C(F)(F)F)[C@H]1C(C)=O 252444335 FUISURMLOMPFRD-SGMGOOAPSA-N 346.305 1.895 0 40 EDAB Cc1cc(N)cc([C@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)n1 257280894 OMVLXXFUVRESGD-MRXNPFEDSA-N 342.399 1.193 0 40 EDAB CN(CC(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O)C1CCCC1 257232427 GKUKTMIWMWEGJF-ZHALLVOQSA-N 347.459 1.733 0 40 EDAB CCc1cc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)on1 257325145 WRRGMQKOARFGSF-AWEZNQCLSA-N 330.388 1.809 0 40 EDAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3cccn3C)CC2)OC[C@]1(C)O 257241456 HYBZVAHOQVLIPJ-ROUUACIJSA-N 349.475 1.378 0 40 EDAB CCc1noc(CCC(=O)N2CCC[C@H]2c2cncc(NC)n2)n1 257299595 RQSGXPZQZNSXOQ-LBPRGKRZSA-N 330.392 1.760 0 40 EDAB O=C(/C=C\c1cc(F)ccc1F)NCc1nnc2c(O)nccn12 253475578 VHTOJOOIIIIGMZ-RJRFIUFISA-N 331.282 1.438 0 40 EDAB Cc1nn(C)c(C)c1CN1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1 257214401 CLVMHRCGFCFUGN-IAGOWNOFSA-N 345.399 1.359 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2ccccn2)CC1 257320881 VZAFKSMDOZMTIU-UHFFFAOYSA-N 339.399 1.528 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 257319484 VSUGNOJUOXBXCO-INIZCTEOSA-N 331.347 1.903 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@H](n3nccn3)C2)cc1F 253472735 OQVVLDQLPNDGRL-NSHDSACASA-N 340.380 1.452 0 40 EDAB Cc1nc(C)c(CC(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)s1 257303880 SJDSIGDDFMUXEN-KRWDZBQOSA-N 346.456 1.455 0 40 EDAB Cc1cnnn1C[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cccnc1 253599533 VHKXRNPCTOSFLP-JYJNAYRXSA-N 327.388 1.301 0 40 EDAB CC(=O)Nc1cccc([C@@H]2CN(CCO)C[C@]23CCCCC(=O)N3)c1 257336460 YONFHLZVJCEXDU-PKOBYXMFSA-N 345.443 1.466 0 40 EDAB Cc1cn(-c2ccccc2)nc1NC(=O)C1([S@](C)=O)CCNCC1 602452950 KUEKUWJOWGLYNQ-XMMPIXPASA-N 346.456 1.620 0 40 EDAB Cc1ccc(C(=O)NCC[C@@H]2CCCN(c3ccnc(C)n3)C2)nn1 1102920772 NDWZOMDIYGPMST-HNNXBMFYSA-N 340.431 1.920 0 40 EDAB COCCCNc1ncc(S(=O)(=O)N2CCCC2)cc1Cl 1615045845 BOMBATNWSPYXEP-UHFFFAOYSA-N 333.841 1.968 0 40 EDAB COc1cccc2c1CC[C@@]2(N)c1nc(CC2CCNCC2)no1 1615057503 HNXQMKAWIDYTAO-SFHVURJKSA-N 328.416 1.769 0 40 EDAB CC(C)(C)OC(=O)N1CC2(C[C@@H](N[C@@H]3CCCOC3)c3ncnn32)C1 1616037602 KOSTYFUWQLBFAI-CHWSQXEVSA-N 349.435 1.438 0 40 EDAB CC[C@@H]1CN(c2nnnn2Cc2cccc(CO)c2)C[C@@H](CC)O1 1616033617 RHHANJIBBLXFLM-HZPDHXFCSA-N 331.420 1.608 0 40 EDAB Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H](C)C(=O)O 647194218 DMUPAQPPXPQZOG-USWWRNFRSA-N 343.424 1.543 0 40 EDAB CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](C(C)(C)C)C1 390834239 UZNMZTNCQWDLQN-GFCCVEGCSA-N 340.511 1.014 0 40 EDAB COc1cc(N2CC3(C[C@H](COc4cccnc4)CN3C)C2)ncn1 585093834 ILPYICORTKCOHG-AWEZNQCLSA-N 341.415 1.470 0 40 EDAB CNC(=O)CC[C@@]1(O)CCCN(S(=O)(=O)c2ccccc2C)C1 585276699 CSQFGYVGQIBAAI-INIZCTEOSA-N 340.445 1.037 0 40 EDAB COc1ccc(CN2CCc3oc(C(=O)NC(C)C)nc3C2)nc1 585112474 PYSMKGKXJNFPNP-UHFFFAOYSA-N 330.388 1.775 0 40 EDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccccc2)Cc2ccnn21 585112585 TVSHWYNFGPVQMX-QGZVFWFLSA-N 348.472 1.769 0 40 EDAB CCCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 49458029 RLYBOPKOQOLXLC-UHFFFAOYSA-N 327.225 1.298 0 40 EDAB CS(=O)(=O)Nc1ccc(CNc2cn[nH]c(=O)c2Cl)cc1 52315728 RVWCTCWCDZLRDR-UHFFFAOYSA-N 328.781 1.407 0 40 EDAB COc1cccc(NC(=O)N(CCC(F)(F)F)C[C@H](O)CO)c1 75108825 MRIARPLUZQSEJY-NSHDSACASA-N 336.310 1.835 0 40 EDAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC(n2nccn2)C1 888106888 BRUIKWAZDFYGQK-UHFFFAOYSA-N 326.335 1.515 0 40 EDAB C[C@@H]1CN(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 12971473 VEDNAXXIVASSBR-MGPQQGTHSA-N 334.416 1.744 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)C)cc1Cl 16692461 MHXOMQHWBLBEDP-UHFFFAOYSA-N 348.852 1.884 0 40 EDAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)C(C)C)cc(N(C)C)n1 19759924 HVSBMZBDMCDFMM-OAHLLOKOSA-N 347.463 1.840 0 40 EDAB NC(=O)NC(=O)C1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 158246546 ISCSQHQUXWPZGU-RIXNLZLZSA-N 347.390 1.799 0 40 EDAB Cc1nc(-c2ccc(C(=O)N[C@@]3(C(N)=O)CCOC3)cc2)cs1 519620200 XZHZSZMUTOJURL-INIZCTEOSA-N 331.397 1.493 0 40 EDAB CC[C@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 521269330 XZTPUBHBUDNWAA-JTQLQIEISA-N 332.809 1.238 0 40 EDAB COc1ccc(C(=O)NCCN2CCN(C(=O)C(C)C)CC2)cc1 20904607 UXIUNVCDUDPUHR-UHFFFAOYSA-N 333.432 1.225 0 40 EDAB C[C@H](NC(=O)CNc1ccccc1C(N)=O)c1ccc2c(c1)OCO2 25614573 KNLXDHFXFKMXFQ-NSHDSACASA-N 341.367 1.804 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2F)cc1 29054215 KWCWRLWDOGZUMR-UHFFFAOYSA-N 342.323 1.630 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccccc1F 29999148 GXVBGJWYSIWYJY-HNNXBMFYSA-N 341.346 1.172 0 40 EDAB Cc1ncnc(N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)c1F 1776009667 MPKGEZKBQJDFRJ-UHFFFAOYSA-N 330.367 1.487 0 40 EDAB O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1ccc(C(F)(F)F)nc1 238941103 VZQPRSHTOQSURS-SNVBAGLBSA-N 338.289 1.471 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)/C=C/c3cccs3)C2)C1 1565544448 LGKPPBYTMBRJJQ-SNAWJCMRSA-N 340.470 1.692 0 40 EDAB O=S(=O)(C1CC1)N1CCC(COc2cc(C3CC3)ncn2)CC1 1565520737 KOHHTAUFWIDCNK-UHFFFAOYSA-N 337.445 1.937 0 40 EDAB O=C(c1cc[nH]n1)N1CCC2(CC1)CCN(c1cccnc1)C2=O 1565551400 DRZHKIDYVBOBIY-UHFFFAOYSA-N 325.372 1.464 0 40 EDAB O=C(c1csnn1)N1CCC2(CCCN(c3ncccn3)C2)CC1 3956259 GGOVVCBTBXZHTQ-UHFFFAOYSA-N 344.444 1.851 0 40 EDAB COc1ccc(CNS(=O)(=O)CCNC(=O)c2ccccc2)cc1 4940912 QZKILCVJDAHJPD-UHFFFAOYSA-N 348.424 1.545 0 40 EDAB Cn1cccc1[C@H](O)CCNC(=O)C(=O)Nc1ccc(F)cc1F 217947673 LUIWQSKGNWQSPV-CQSZACIVSA-N 337.326 1.482 0 40 EDAB Cc1csc(C(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)c1 575614894 BPOWAFCQFOOBHS-UHFFFAOYSA-N 345.490 1.305 0 40 EDAB CCCOc1ccccc1/C=c1/sc2nc(=O)c(C)nn2c1=O 2368173 JADAZGUVGKKKQF-UKTHLTGXSA-N 329.381 1.156 0 40 EDAB CC(C)C[C@H](C)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 31411352 MHVRNSJTDJRSHG-NSHDSACASA-N 332.404 1.139 0 40 EDAB COc1ccc(OC)c(NC(=O)NC[C@H](O)CN2CCCCC2)c1 40526031 QQYDQWAHZVKNEN-ZDUSSCGKSA-N 337.420 1.672 0 40 EDAB CN(C)c1cc(CNS(=O)(=O)c2c(F)cccc2F)ccn1 40512759 RHQUKHDMMBXUGF-UHFFFAOYSA-N 327.356 1.904 0 40 EDAB CCc1c(C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)csc1C 101564297 UMYTWNNDLRIQMO-CYDGBPFRSA-N 334.397 1.426 0 40 EDAB COc1ccccc1CNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102274898 GIZGMHOITMLGOG-OKILXGFUSA-N 328.368 1.263 0 40 EDAB CSCCC(=O)NCCS(=O)(=O)N1CCc2ccccc21 32915278 MBTKIGLORDMOIM-UHFFFAOYSA-N 328.459 1.248 0 40 EDAB COC(=O)c1cc(NC(=O)[C@@H](CCSC)NC(N)=O)ccc1F 32903642 GXRMEBUONUIBRM-LLVKDONJSA-N 343.380 1.341 0 40 EDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCc1ccc(F)cc1 412281 PTBKWPXOFPGILQ-UHFFFAOYSA-N 329.310 1.935 0 40 EDAB CCOC(=O)CNC(=O)Nc1nnc(-c2ccc(OCC)cc2)o1 2663391 MAGMTQYKSCVBCL-UHFFFAOYSA-N 334.332 1.820 0 40 EDAB CCS(=O)(=O)NCCN1CC[C@@H](C)N(Cc2ccccc2)CC1 76089724 SCUFFYAIZAZYEK-MRXNPFEDSA-N 339.505 1.522 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN(C)CCN2C)C12CCCC2 76087436 BXOLNECXFQMTRU-OWCLPIDISA-N 338.496 1.269 0 40 EDAB CN1CCC(CNC(=O)NC[C@H]2CCCO2)(N2CCCCC2)CC1 78933070 UUGGNQHONDGVDM-MRXNPFEDSA-N 338.496 1.415 0 40 EDAB O=C(NC1CC=CC1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 79107084 FABBWGNUVVGHIV-UHFFFAOYSA-N 332.381 1.442 0 40 EDAB Cc1nc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)sc1C 102902209 NOUDIPPEXPGAPJ-UKJIMTQDSA-N 331.397 1.506 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 103024125 FCJZDLICXXILDS-ZNIXKSQXSA-N 339.355 1.339 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1 41618637 TUQDNKOIKOBSQP-STQMWFEESA-N 325.434 1.207 0 40 EDAB CCOC(=O)C1CCN([C@H](C)c2nnnn2-c2ccccc2)CC1 41625881 CUEHTDFREDJSEO-CYBMUJFWSA-N 329.404 1.998 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)N1CCO[C@@H]2CCC[C@@H]21 53373936 PQCCUVNMTHHVOO-QWHCGFSZSA-N 333.413 1.628 0 40 EDAB Cc1nc2ccccc2n1CCCNC(=O)[C@H]1CCS(=O)(=O)C1 41902473 PFJNOHCULBIBLA-ZDUSSCGKSA-N 335.429 1.286 0 40 EDAB CCCN1CC2=C(C1=O)[C@H](c1ccc(OC)c(OC)c1)NC(=O)N2 4854764 TYYMJGJNKZPUTA-HNNXBMFYSA-N 331.372 1.564 0 40 EDAB O=C1C[C@H]2[C@@H](N3CCCC3)CC[C@@H](N1Cc1ccccc1)C2(O)O 6575029 SINUNCSWWDINOL-YESZJQIVSA-N 330.428 1.343 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1F 6846324 KJEIOSMOBFVPHM-UHFFFAOYSA-N 338.360 1.412 0 40 EDAB CCn1cnnc1CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 47020768 FXLMMUAQCSPBJX-LBPRGKRZSA-N 347.444 1.528 0 40 EDAB CCOC(=O)c1ccc(OC[C@@H](O)CNC2CCC(O)CC2)cc1 8314407 ILGABXURHDCERG-GPANFISMSA-N 337.416 1.496 0 40 EDAB O=C(NCCCOCC1CC1)Nc1cccnc1N1CCOCC1 54480651 OCHBSENVJWVMLP-UHFFFAOYSA-N 334.420 1.856 0 40 EDAB COc1ccc(CN2CCN(c3ncnc4[nH]cnc34)CC2)cc1F 47509591 NHVRWPLCLNUVNE-UHFFFAOYSA-N 342.378 1.823 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)NS(=O)(=O)c2cccs2)c1 42245086 CYSIXRLHFFVANJ-UHFFFAOYSA-N 345.423 1.270 0 40 EDAB NC(=O)N[C@H](CC(=O)NC[C@H]1Cc2ccccc2O1)c1cccs1 47687517 WRBCHKGEKFYOJN-CHWSQXEVSA-N 345.424 1.968 0 40 EDAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2cccnc2)CC1 105879567 DOKZCPXAKKFTFK-DZKIICNBSA-N 349.456 1.351 0 40 EDAB CC[C@@H](C(N)=O)N1CCN(Cc2nc(-c3ccccc3)co2)CC1 105868936 KDPMNCNSDZSLIS-INIZCTEOSA-N 328.416 1.723 0 40 EDAB COc1ccc(O[C@@H](C)C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 55121505 PQPGPBJRPOTRQN-XHDPSFHLSA-N 327.402 1.156 0 40 EDAB CN(C(=O)c1cccc(Nc2ncccn2)c1)[C@H]1CCS(=O)(=O)C1 24970915 LZQMYEAKZSRHHR-AWEZNQCLSA-N 346.412 1.479 0 40 EDAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCO2)Nc2ccccc21 100119602 JWZZKZSJYROUJW-HEWDHTHVSA-N 327.384 1.481 0 40 EDAB COC(=O)C1(NC(=O)CCNC(=O)Cc2ccccc2)CCCCC1 25176703 QVEITOYNRKRERG-UHFFFAOYSA-N 346.427 1.728 0 40 EDAB COC[C@H]1CN(C(=O)c2ccnc(N3CCCC[C@@H]3C)c2)CCO1 106916531 NFELPJQQKNSVIB-GOEBONIOSA-N 333.432 1.948 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCc2ccc(F)cc2F)[C@@H](C)CO1 107143620 HGSUSNWCPBMOAG-QWRGUYRKSA-N 334.388 1.451 0 40 EDAB COCCN1CCCC2(CCN(C(=O)c3cnoc3C)CC2)C1=O 108533330 RXBVZGQKENPKKH-UHFFFAOYSA-N 335.404 1.474 0 40 EDAB Cc1nccc(N2CCN(C(=O)NC[C@H](C)N(C)C3CC3)CC2)n1 97136675 CQVOFAUCMFCJJJ-ZDUSSCGKSA-N 332.452 1.099 0 40 EDAB CN1CC[C@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1=O 44349706 GUYKTVABFLIGEY-GJZGRUSLSA-N 344.411 1.990 0 40 EDAB O=C1C[C@H](N2CCCC[C@@H]2CCO)C(=O)N1c1ccc(F)c(F)c1 20634664 GQPJOMGRXBUZNH-ABAIWWIYSA-N 338.354 1.834 0 40 EDAB CC(C)CC[C@@H](C)NC(=O)CN1C(=O)N[C@]2(CCSC2)C1=O 27491418 KBFPCQCQGAKMOV-ABAIWWIYSA-N 327.450 1.355 0 40 EDAB CNC(=O)CN1CCN(C(=O)CCCc2ccc(Cl)cc2)CC1 58158160 AWLQNNIKLJFQNV-UHFFFAOYSA-N 337.851 1.553 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCCC(=O)NCc1ccccc1 58290183 STOYLKIWXYTGHL-ZDUSSCGKSA-N 343.383 1.221 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)nc2)C1 48134023 WDDPUNCRRUNXME-GFCCVEGCSA-N 344.375 1.469 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1nn(-c2ccccc2)cc1OC 48250448 IBGUBSVSUFADSS-CQSZACIVSA-N 344.415 1.771 0 40 EDAB CNC(=O)[C@@H](NC(=O)CCn1c(C)csc1=O)c1ccccc1 44973233 HHPYXDQBNJBXOW-AWEZNQCLSA-N 333.413 1.212 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(N2CCOC2=O)c1 44977295 ONUXWQHIZZGQON-NSHDSACASA-N 343.339 1.993 0 40 EDAB COc1cccc(CC(=O)N2CCN([C@@H](C)c3nnc(C)o3)CC2)c1 58343244 KTBYRWAYEVZGBY-ZDUSSCGKSA-N 344.415 1.835 0 40 EDAB CC(C)c1ccc(O)c(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1 58420477 AKZIBUXLYGJKCH-ZDUSSCGKSA-N 340.445 1.669 0 40 EDAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCCN(C)C)CC1=O 45164857 OCTNZCYQIGTCMD-NSHDSACASA-N 339.823 1.379 0 40 EDAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 27947689 ADSLMZYSHXCRSB-UHFFFAOYSA-N 340.232 1.670 0 40 EDAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1nncs1 12756464 FQCBBLQSRCZBPW-VQHVLOKHSA-N 338.414 1.457 0 40 EDAB CCOC(=O)N(C)CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C 48359640 MIBVXSGTNWSJFT-UHFFFAOYSA-N 348.447 1.774 0 40 EDAB COCCNC(=O)c1cnn(-c2ccc(OC)nn2)c1C(F)(F)F 29462877 MXGZTWLMIDYZHG-UHFFFAOYSA-N 345.281 1.066 0 40 EDAB COC(=O)c1ccc(COC(=O)c2cnc3n(c2=O)CCS3)cc1 12963027 YVJNLBRMWJUCNK-UHFFFAOYSA-N 346.364 1.493 0 40 EDAB NS(=O)(=O)c1ccc(N2C(=O)C[C@@H](c3ccccc3)C2=O)cc1 3628931 QHKLEMHDWCRNBK-AWEZNQCLSA-N 330.365 1.381 0 40 EDAB COc1ccc2c(C)c(CCC(=O)NCCCO)c(=O)oc2c1C 13690690 OZIJCXPNDMDMOG-UHFFFAOYSA-N 333.384 1.850 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2ccccc2)NC(=O)N[C@@H]1CC 6065745 KWZSDQHMOGVPCD-GFCCVEGCSA-N 332.356 1.752 0 40 EDAB CCOC(=O)C1(NS(=O)(=O)c2c(C)nn(C)c2C)CCCCC1 64945918 RBUYGIALRYUJQH-UHFFFAOYSA-N 343.449 1.581 0 40 EDAB CC(C)COC[C@H](C)NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 69935262 CNDNALRTYHGALG-IRXDYDNUSA-N 341.496 1.801 0 40 EDAB CN1CCc2ncnc(N(C)Cc3nc4ccccc4c(=O)[nH]3)c2C1 65475879 MDYITAZKBIFPRW-UHFFFAOYSA-N 336.399 1.337 0 40 EDAB CC(=O)N1CCN(C(=O)COc2ccc3c(c2)CCCC3=O)CC1 71184942 BJXFFYSFOUPDRO-UHFFFAOYSA-N 330.384 1.275 0 40 EDAB COc1ccccc1[C@@H](O)CNC(=O)NCc1c(C)cc(C)[nH]c1=O 65543174 JLOKEMPKIBICCJ-HNNXBMFYSA-N 345.399 1.533 0 40 EDAB CC(=O)Nc1cccc(NC(=O)Cn2nnc3ccccc3c2=O)c1 9053546 VNHBUASQPZFZBM-UHFFFAOYSA-N 337.339 1.389 0 40 EDAB COc1ccc([C@@H]2NNC(=O)[C@@H]2NC(=O)c2cccc(C)c2)cc1 9094794 ILSKKHDJVDEDMV-JKSUJKDBSA-N 325.368 1.478 0 40 EDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)CN1C(=O)NC(=O)C1(C)C 83003947 HWVYBYKIIQAVFA-LBPRGKRZSA-N 344.415 1.184 0 40 EDAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)s1 5553913 DZYVJTURMKVLRL-UHFFFAOYSA-N 338.414 1.540 0 40 EDAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(C(C)(C)C)C1=O 9111289 IGAMJHUAGOIQOJ-GOSISDBHSA-N 329.400 1.851 0 40 EDAB O[C@@H](CNCc1ccc(-c2ccccc2F)o1)CN1CCOCC1 6651187 RZFJRQHDFSTMMI-AWEZNQCLSA-N 334.391 1.868 0 40 EDAB C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 9157681 BLFFYPIKRLRFJW-LLVKDONJSA-N 331.459 1.730 0 40 EDAB CC(C)(CNc1ncccc1S(=O)(=O)N1CCCCC1)C(N)=O 66454040 ZUHVFZCKAIPLJT-UHFFFAOYSA-N 340.449 1.180 0 40 EDAB CN(C)Cc1ccc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1 66672689 GLZLXBBTAQXUAB-UHFFFAOYSA-N 329.404 1.285 0 40 EDAB COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 6934476 SNNTZTIOPLFDDG-UHFFFAOYSA-N 346.408 1.693 0 40 EDAB COc1cccc(-c2nc(CN3CCNC(=O)C3)cs2)c1OC 15479700 XCBWOYKGFHPVAL-UHFFFAOYSA-N 333.413 1.759 0 40 EDAB CCNC(=O)CNC(=O)C(=O)Nc1cccc(SC(F)F)c1 67492483 SDECMAJVHCYSHF-UHFFFAOYSA-N 331.344 1.192 0 40 EDAB C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CCC(N)=O)C1=O 15501765 BRLCFDQEUYQGMZ-ZDUSSCGKSA-N 330.171 1.636 0 40 EDAB CN(C)CCn1nnnc1S[C@@H]1CCN(c2ccccc2)C1=O 68050673 IYYJUAFWVXKNEZ-CYBMUJFWSA-N 332.433 1.132 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 93531528 UFCVBDNMYOPJJF-AWEZNQCLSA-N 338.408 1.135 0 40 EDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16024678 CUZJTCOREIJEIC-MTOHXBAWSA-N 345.374 1.365 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)cc1 16204922 LCLBFDPOIKIKIB-UHFFFAOYSA-N 342.399 1.146 0 40 EDAB O=C(O)C[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)CCO1 91293436 GFALEWPQVQFFGA-VIFPVBQESA-N 346.152 1.904 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccsc2)c1 8256173 NZLOKBMGEVPTAR-UHFFFAOYSA-N 339.394 1.947 0 40 EDAB COc1ccc(CNC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1 8212539 JMVNMKCPBIONLA-UHFFFAOYSA-N 334.401 1.323 0 40 EDAB COc1cc(F)cc2sc(NC(=O)CN3CSCC3=O)nc12 70013136 DAVCHFWGMFFQCU-UHFFFAOYSA-N 341.389 1.915 0 40 EDAB Cc1cnc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 70018185 BUOIPVMEPKSTHS-QGZVFWFLSA-N 326.400 1.276 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCCNC(=O)CC2CCCC2)C1 69383803 DAIAVIRLECKMLS-ZDUSSCGKSA-N 331.482 1.249 0 40 EDAB COc1ccc([C@@H]2C[C@H]2C(=O)NCCN2CCN(C(C)=O)CC2)cc1 69349607 SENCRCQRQWHXTK-ZWKOTPCHSA-N 345.443 1.079 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 8315664 ICENGBRPAXQYRL-MFKMUULPSA-N 333.413 1.213 0 40 EDAB COCCN(C)CCCNC(=O)C1=Cc2cccc(OC)c2OC1 69438875 YLFQJGMLSGHYJC-UHFFFAOYSA-N 334.416 1.556 0 40 EDAB Cn1cc(Cl)cc1C(=O)N1CCCN(Cc2nccn2C)CC1 69699223 HVOJIUFQKXXLIO-UHFFFAOYSA-N 335.839 1.760 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H]1Cn1cccn1 69740161 HDXFNCMJTVTOOA-NSHDSACASA-N 327.310 1.790 0 40 EDAB CC1(C)COCCN1C(=O)c1nc(N2CCOCC2)ncc1Cl 71830847 XWFIIRAGDMLBIZ-UHFFFAOYSA-N 340.811 1.218 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc(C)c(CC)s2)CC1 71881864 OONJBLYNJODSQB-CQSZACIVSA-N 340.489 1.774 0 40 EDAB COc1ccc(-n2ccc(C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)n2)cc1 71829456 RWFMAPBDIJSKNM-QWHCGFSZSA-N 342.399 1.607 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)CN1CCCC[C@H]1Cn1cncn1 71878721 KVPCVLYFLQZQHO-KRWDZBQOSA-N 345.422 1.930 0 40 EDAB O=C(/C=C/c1ccccc1)NCC(=O)N[C@H]1CCN(CC2CC2)C1 71888526 RYGOCQYVQUXUPG-IJDCCNJMSA-N 327.428 1.417 0 40 EDAB Cc1noc(CN2CCN(CCC(=O)c3ccc(F)cc3)CC2)n1 97231992 WMRVKMPABLSJOQ-UHFFFAOYSA-N 332.379 1.908 0 40 EDAB C[C@H](NC(=O)N[C@H](C)C[S@@](C)=O)c1ccccc1-n1cccn1 97086370 NKPJCXXBJGJOIH-PSVOKBTDSA-N 334.445 2.000 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cnc(C(C)(C)C)s2)C1 97051762 PFPYGZGBRLBNOD-LBPRGKRZSA-N 331.507 1.954 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)CCOC[C@@H]3CCCO3)C2)no1 72232042 KUKPRSCPTGLRKI-KGLIPLIRSA-N 337.420 1.924 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)c1cc3c(s1)CCOC3)C2 72279535 OFZYIFOXDJINKP-UHFFFAOYSA-N 344.440 1.875 0 40 EDAB CC[C@@H](COC)NC(=O)CNC(=O)NCc1ccc(Cl)cc1 72291760 RPHZJPMZQWQUCE-ZDUSSCGKSA-N 327.812 1.680 0 40 EDAB COC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 95369505 XJLIZJFVYZBMOS-ABAIWWIYSA-N 347.440 1.834 0 40 EDAB C[C@@H](CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)[S@@](C)=O 95439855 LCZJWBLDWJYUSU-ASCAZGACSA-N 327.830 1.666 0 40 EDAB Cc1c(CNC(=O)NC2CCN(Cc3cscn3)CC2)cnn1C 95442700 GIDRWUCNZBVAKU-UHFFFAOYSA-N 348.476 1.649 0 40 EDAB CN1CCO[C@H](CN(C(=O)CC[C@@H]2CCCO2)c2nccs2)C1 95402137 GQCYLDYXBKAGSD-KBPBESRZSA-N 339.461 1.766 0 40 EDAB Cc1nn(-c2ccccc2)c(N)c1C(=O)NCc1nnc2n1CCC2 95455140 VVUKWDKXBUMQKL-UHFFFAOYSA-N 337.387 1.231 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)c1ncn(-c2ccccc2)n1 95452939 UGGQLXCVRBWGPH-UHFFFAOYSA-N 336.351 1.969 0 40 EDAB CN1CC[C@H](NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)C1=O 73884427 PBWUELWUHJWARE-AAEUAGOBSA-N 329.322 1.227 0 40 EDAB NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc(F)nc2)C1 95962894 MGVKQJKQHFBUSJ-LBPRGKRZSA-N 328.347 1.328 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c(Cl)cc1F 89570434 KCHNUKRCTODWDQ-SNVBAGLBSA-N 348.827 1.928 0 40 EDAB C[C@H](CC(=O)c1ccccc1)NC(=O)Cc1ccc(-n2cnnn2)cc1 89894631 ICLIBLOOAZRUPL-CQSZACIVSA-N 349.394 1.983 0 40 EDAB COC(=O)c1cccc(CS(=O)(=O)N[C@@H](C)CCN(C)C)c1 89895438 RSKWMUPGLVXMME-LBPRGKRZSA-N 328.434 1.233 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)c2ccccc2-n2cnnn2)C12CCC2 89985918 ZNNNQBBIFCPLHE-GJZGRUSLSA-N 327.388 1.740 0 40 EDAB CCOC(=O)N1CCC(N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 89984727 HQJFQEFFVPXSCY-OAHLLOKOSA-N 335.452 1.599 0 40 EDAB COCCNC(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409140158 FHAWZLKLWWDCRG-UHFFFAOYSA-N 348.384 1.718 0 40 EDAB O=C(NCCC(=O)N1CCCC1)c1ccc(OC[C@H]2CCCO2)cc1 32716742 ZQRMWFJEVAHYFM-QGZVFWFLSA-N 346.427 1.987 0 40 EDAB CNC(=O)CCOc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 78550571 NFJUJPIFPRKWMA-WFASDCNBSA-N 335.404 1.891 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCOC 217428556 RDUCCTWOPXLJCR-JTQLQIEISA-N 330.406 1.520 0 40 EDAB CCOc1ccc(C(=O)NCCn2cccnc2=O)cc1OCC 669632423 AKTNNQHTQLZMFU-UHFFFAOYSA-N 331.372 1.471 0 40 EDAB COc1ccc(CCNC(=O)c2cn(C)c(=O)cc2OC)cc1OC 670104860 QRIYXVBRNQDRKL-UHFFFAOYSA-N 346.383 1.384 0 40 EDAB CC[C@H](NC(=O)N1CCO[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 78447470 IIRWKDJHZZEHJR-RISCZKNCSA-N 341.433 1.215 0 40 EDAB NC(=O)C1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 32758233 ZUHQJOSNHUIARU-AEFFLSMTSA-N 332.444 1.639 0 40 EDAB CCS(=O)(=O)N(CC(=O)NC(C)(C)C)c1ccc(OC)cc1 32109791 PREGYWGTQJGGTK-UHFFFAOYSA-N 328.434 1.766 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C1CN(S(=O)(=O)C2CC2)C1 70838633 VQQMZWLJFVXOJZ-UHFFFAOYSA-N 344.820 1.711 0 40 EDAB CNCC(=O)N1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 72360902 CIOBILFLYBKSTK-CYBMUJFWSA-N 326.404 1.541 0 40 EDAB CO[C@@H]1CN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC[C@@H]1C 187398880 SWKXMVXTJRQCGW-RWMBFGLXSA-N 337.386 1.937 0 40 EDAB O=S(=O)(C1CC1)N1CCCN(c2ncnc3ccsc23)CC1 374566969 VHEWWISKUKPQHW-UHFFFAOYSA-N 338.458 1.696 0 40 EDAB COCCN(Cc1c(C)nn(C)c1C)C(=O)Cc1cncc(O)c1 565215727 NRXZRAMTXJCEFL-UHFFFAOYSA-N 332.404 1.355 0 40 EDAB O=C(Nc1cccnc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 70883639 PMLWQDXOXKVBBS-UHFFFAOYSA-N 349.398 1.912 0 40 EDAB CC(=O)NC[C@H]1CN([C@H](C(=O)O)c2c(F)cccc2Cl)CCO1 563280164 LSPFFFCJRTYAAB-HZMBPMFUSA-N 344.770 1.442 0 40 EDAB O=C(c1cc([C@H]2CCCN(c3cnccn3)C2)n[nH]1)N1CCOCC1 72356368 PLHXLQBVOLKXAC-ZDUSSCGKSA-N 342.403 1.056 0 40 EDAB COc1ccc(C2=NO[C@H](CNC(=O)c3cnccn3)C2)cc1F 225768650 SWQDWQAXGCZLEO-NSHDSACASA-N 330.319 1.547 0 40 EDAB COc1cccc(CCNC(=O)c2nc(-c3cnccn3)no2)c1 44122552 CPBSLMKEBMBBSC-UHFFFAOYSA-N 325.328 1.508 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)NCCc3nc(=O)o[nH]3)cc2)n1 571746564 GMRDUDXKJAGLEP-UHFFFAOYSA-N 341.371 1.197 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCc3cncnc3)CC2=O)cc1C 225589631 QHAMPAXFCQSLEC-MRXNPFEDSA-N 338.411 1.805 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CCc1cccs1 81299367 SQFHATFNYIHEQZ-AWEZNQCLSA-N 344.502 1.953 0 40 EDAB O=C(CCn1cccn1)NS(=O)(=O)Cc1ccc(Cl)c(F)c1 195577078 JCGDVPHNMQYYBE-UHFFFAOYSA-N 345.783 1.712 0 40 EDAB Cc1cc(C)c(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)c(=O)[nH]1 96473418 SPLVINLZTVNEDH-OAHLLOKOSA-N 345.443 1.903 0 40 EDAB CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccco3)C2)O1 96209944 XBNWROZHWJWTAX-UKRRQHHQSA-N 328.434 1.342 0 40 EDAB O=C(N[C@@H]1CN(C2CCOCC2)C[C@@H]2CCCO[C@@H]21)c1ccncc1 97953486 XPSMJRPFAXWNDY-JQHSSLGASA-N 345.443 1.470 0 40 EDAB CCCCNC(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 96147336 IQXQOCKIAFHRMG-UHFFFAOYSA-N 348.428 1.536 0 40 EDAB O=S1(=O)N[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2Oc2ncccc21 514289382 JIEDTXMKGFEXSZ-KGLIPLIRSA-N 349.387 1.144 0 40 EDAB biogenic,in-vitro CN1CCN(C[C@H]2OC[C@@H]3CCN(C(=O)c4ccoc4)C[C@H]23)CC1 96056262 MYJXHNNWTXNGNE-BHYGNILZSA-N 333.432 1.004 0 40 EDAB Cc1ccc(CNC(=O)Cc2ccc(OCc3nnnn3C)cc2)o1 96101417 OFWAUIUVWYSHIS-UHFFFAOYSA-N 341.371 1.549 0 40 EDAB CCOC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1 96187802 JTPLBIDQAOFTCY-CQSZACIVSA-N 335.429 1.740 0 40 EDAB Fc1cnc(N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)nc1 96108994 RGQLFQNHXLFZNB-DYVFJYSZSA-N 330.363 1.680 0 40 EDAB Cn1cc(CN[C@H]2CCc3c(ccc(=O)n3Cc3ccncc3)C2)cn1 96196611 UPGSMWTZULJLFM-SFHVURJKSA-N 349.438 1.672 0 40 EDAB O=C(c1cccc2[nH]ccc12)N1CCC[C@](O)(Cn2ccnn2)C1 583456263 KLUNHIZQTJAGBL-QGZVFWFLSA-N 325.372 1.427 0 40 EDAB COc1ccccc1C1=NO[C@](C)(C(=O)NCc2cnn(C)c2C)C1 96193062 HMHNINDDNDEKSO-SFHVURJKSA-N 342.399 1.937 0 40 EDAB Cn1ncc(N2CCC(OC[C@H]3CCCCO3)CC2)c(Cl)c1=O 96455883 HXEJTHFFZHKOIF-CYBMUJFWSA-N 341.839 1.988 0 40 EDAB O=C(CC1CC1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 96159082 AJHSNFPUJXXZNX-UHFFFAOYSA-N 334.395 1.614 0 40 EDAB O=C(CC1CC1)N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1 96074874 GZUPTYASYBXSTA-QGZVFWFLSA-N 334.395 1.614 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@H]2COc1ccccn1 247872560 RLBHJTVGFXPSER-ZDUSSCGKSA-N 326.356 1.182 0 40 EDAB COC(=O)[C@@]1(NC(=O)COC(C)C)CCCN(Cc2ccccc2)C1 584907875 ZIFYVCCWUYHDJN-LJQANCHMSA-N 348.443 1.735 0 40 EDAB Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1ccc(F)nc1F 585114986 ICBSIIYGPDIMHR-SSDOTTSWSA-N 331.344 1.874 0 40 EDAB CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1Cc1ccncc1 585116526 ZUYFKCANQKCZOP-QGZVFWFLSA-N 337.420 1.170 0 40 EDAB NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1CCCCC1 585121032 CNDPUCVKAFLKHG-HNNXBMFYSA-N 349.406 1.177 0 40 EDAB CC(C)OCCN1CCN(c2nnnn2Cc2ccccc2)CC1 585132849 ALJDLLKBHKRZBQ-UHFFFAOYSA-N 330.436 1.268 0 40 EDAB CNC(=O)c1cnn2c([C@@H]3CCN(C(=O)C(C)(C)C)C3)ccnc12 257316830 VHFBGONQJZSJFS-LLVKDONJSA-N 329.404 1.451 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@@H](c3cc(O)nc(C)n3)C2)on1 257248872 JFOWWQJDFNDKOM-CYBMUJFWSA-N 348.359 1.020 0 40 EDAB Cc1cc(-c2cncn2C)nc([C@H]2CCCCN2S(C)(=O)=O)n1 257252011 JTFGPLICVANBHE-CYBMUJFWSA-N 335.433 1.672 0 40 EDAB COc1cccc(F)c1CN1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 257214062 CKISUTKKNCPUFM-HOTGVXAUSA-N 338.423 1.932 0 40 EDAB Cc1c[nH]c([C@@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 257259069 KWSRBEQNUQVSOR-LBPRGKRZSA-N 333.392 1.757 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)CCc2ccnn2C)C1 257342901 ZQNZUPICUZJFDB-CQSZACIVSA-N 342.447 1.666 0 40 EDAB Nc1ncnc2c1ncn2[C@H]1CCN(Cc2cccs2)CC[C@@H]1O 257245276 IOUHURMAAAXYIS-STQMWFEESA-N 344.444 1.668 0 40 EDAB Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2ccc(F)s2)cn1 597555421 QDSFJMNECXBLGS-UZJPJQLHSA-N 327.406 1.567 0 40 EDAB CCCNC(=O)CN(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 1616025051 CZWFYETYUJDCHO-LLVKDONJSA-N 332.370 1.922 0 40 EDAB CO[C@H]1CCCN(C(C)=O)[C@H]1CCC(=O)N(C)Cc1cc(C)on1 585280819 POUCAOQNIFEMTF-HOTGVXAUSA-N 337.420 1.748 0 40 EDAB CC1CC(C(=O)N2CC[C@@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@H]3C2)C1 585108991 LJWGKAVJENPDBW-PPJOZLOBSA-N 344.415 1.467 0 40 EDAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3cnn(C)c3)[C@H]2O)cc1 585284929 KIGNLZPRSXTIFK-KBRIMQKVSA-N 329.400 1.677 0 40 EDAB CC(C)CC(=O)N1Cc2cncn2[C@@H](C(=O)NCC2CCOCC2)C1 585096123 SNPVQUDKIKKWCE-MRXNPFEDSA-N 348.447 1.355 0 40 EDAB COC[C@@]1(CC(=O)NCCc2ccccc2C)CN(C(C)=O)CCO1 585281095 SXZLYURKJFMBDP-LJQANCHMSA-N 348.443 1.308 0 40 EDAB CO[C@H]1CCCN(C(=O)COc2ccccc2F)[C@H]1CCC(N)=O 585277691 KLRVWMCIROYQTP-ZFWWWQNUSA-N 338.379 1.476 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(CC2(O)CCOCC2)CCO1 585277184 KSIYOTWFQFLNKW-LJQANCHMSA-N 335.444 1.142 0 40 EDAB COc1ccc(C(N)=O)c(OCC(=O)N(C)Cc2cccs2)c1 48231061 JOKLXYGQSZWLKN-UHFFFAOYSA-N 334.397 1.893 0 40 EDAB CCc1noc(C)c1C(=O)NC[C@]1(N2CCOCC2)CCSC1 57210166 COUVEQHITSBVHD-MRXNPFEDSA-N 339.461 1.483 0 40 EDAB CCn1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cn1 57279927 WYIOBQOKVFXRNU-UHFFFAOYSA-N 334.401 1.934 0 40 EDAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 56073317 QUNQNDYVBXZTMS-ZDUSSCGKSA-N 326.418 1.894 0 40 EDAB C[C@@H]1C[C@@H](N(C)CCCOc2cccc(S(C)(=O)=O)c2)C(=O)O1 57909721 NTTTVIWEXQDCMG-IUODEOHRSA-N 341.429 1.495 0 40 EDAB CC1CCC(NS(=O)(=O)CC(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 69439459 BPXKBHDHSNHYHI-YIOUJQMASA-N 332.466 1.168 0 40 EDAB C[C@H](CNC(=O)c1ccnc(OC(C)(C)C)c1)N1CCN(C)CC1 94135674 DOEDWLXGCIAPFD-CQSZACIVSA-N 334.464 1.625 0 40 EDAB O=C(c1ccc(OC2CCOCC2)nc1)N1CCN(C2CCC2)CC1 145046544 MGCIMRQKRGCWIW-UHFFFAOYSA-N 345.443 1.950 0 40 EDAB CCCc1nnc(NC(=O)CNc2ccc3[nH]c(=O)[nH]c3c2)s1 5393261 VHESSXGXWFPDSK-UHFFFAOYSA-N 332.389 1.711 0 40 EDAB CC1(C)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)C(=O)O)C=C1COC(=O)[C@@]12O 514288315 XOYLBZQBJFFPCE-KWAZRSOSSA-N 338.356 1.043 0 40 EDAB biogenic,in-vitro O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)Cc1cccc(Cl)c1 517748388 VAQXFIUSZGNWLY-GXFFZTMASA-N 347.820 1.639 0 40 EDAB O=c1cc(N2CCN(c3ccc4nccn4n3)CC2)nc2ccccn12 1888914330 GEAQWKDLBJDKNS-UHFFFAOYSA-N 347.382 1.064 0 40 EDAB C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 26225759 ILYZJLPJNJFISK-BLLLJJGKSA-N 332.425 1.967 0 40 EDAB COc1ccccc1CCNC(=O)CNC(=O)NCc1ccccc1 26748918 BAIKEGSLRLBWRG-UHFFFAOYSA-N 341.411 1.853 0 40 EDAB CC[C@H](C)NC(=O)CN1CCN(c2cnc3ccccc3n2)CC1 29532202 WKAGLQQPDPUELK-AWEZNQCLSA-N 327.432 1.667 0 40 EDAB CC(=O)N1CCC(NC[C@@H]2[C@@H](C)C[C@@H]3[C@H]2CC(=O)N3C(C)C)CC1 1775964338 HAXVXRRFVAWDSB-VIBAHUMZSA-N 335.492 1.868 0 40 EDAB biogenic,in-vitro COC(=O)c1c2c(nc3c1c(C)nn3[C@H]1CCS(=O)(=O)C1)CCC2 16850619 BXXIOEWJHWFJHI-JTQLQIEISA-N 349.412 1.375 0 40 EDAB O=C(NC1CCCC1)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055714859 VRJODFBIPPTLNZ-CYBMUJFWSA-N 330.432 1.644 0 40 EDAB Cc1noc(C)c1CC(=O)N1CC(c2nc(-c3ncccn3)no2)C1 49483023 MGXLQASBXXFVJP-UHFFFAOYSA-N 340.343 1.300 0 40 EDAB Cc1nc(CN2CCN(c3cccc(-n4ccnc4C)n3)CC2)no1 370613335 ZAFIBPAKHWJZDA-UHFFFAOYSA-N 339.403 1.589 0 40 EDAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1C[C@@H](C)OC[C@H]1C 249055614 MDMJEUIAJDTMDT-XJKCOSOUSA-N 337.416 1.747 0 40 EDAB Cc1nc(CCNC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)cs1 40488968 WBUCHXIGVWJPBY-LLVKDONJSA-N 345.424 1.924 0 40 EDAB O=C(Cn1cnc2ncccc2c1=O)Nc1ccc(F)c(F)c1F 40487744 YXJHHKQSUZJIQG-UHFFFAOYSA-N 334.257 1.848 0 40 EDAB O=C(NCCNc1cnccn1)c1ccccc1OC[C@@H]1CCCO1 31599065 NQPRQYWBILPYRS-AWEZNQCLSA-N 342.399 1.876 0 40 EDAB Cc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2cccnc2)o1 40511884 SVZANSXCQYXGSS-UHFFFAOYSA-N 337.401 1.310 0 40 EDAB COc1ccccc1CNC(=O)NCCNC(=O)c1ccc(O)cc1 40549291 ZJJCBJDIVJZNFZ-UHFFFAOYSA-N 343.383 1.630 0 40 EDAB CC1CCN(c2ccc(CNC(=O)[C@@H](C)S(C)(=O)=O)cn2)CC1 40541507 VEDLOKMWWIHOMX-CYBMUJFWSA-N 339.461 1.367 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1Cc1ccc(-n2cccn2)cc1 40511265 HWUVUWYABNOOMV-KRWDZBQOSA-N 348.472 1.776 0 40 EDAB Cc1ccc(-c2nnc(CCC(=O)N[C@@H]3CCCCNC3=O)o2)cc1 40521667 BGSGUVDGJZIYEH-CQSZACIVSA-N 342.399 1.763 0 40 EDAB CCCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccco2)c2ccccc21 101448692 MSFAJFZGFHXQAW-HNNXBMFYSA-N 341.367 1.510 0 40 EDAB O=C(NCCc1ccccc1)c1cccc(CN2C(=O)CNC2=O)c1 32900957 UTXPSGNRTBDWLN-UHFFFAOYSA-N 337.379 1.711 0 40 EDAB CC(C)NC[C@@H](O)COc1ccc(CCNC(=O)NC(C)C)cc1 4779 PKWZWSXSCKVUJB-MRXNPFEDSA-N 337.464 1.674 0 40 EDAB in-man CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCOc3ccccc32)n(C)c1 29701609 LOWPORQQFGIKRG-CYBMUJFWSA-N 349.412 1.187 0 40 EDAB O=C(COc1ccc(Cl)c(Cl)c1)NCCN1CCOCC1 29756330 QRLDSLIZKXOHLJ-UHFFFAOYSA-N 333.215 1.821 0 40 EDAB CCOC(=O)c1cnc(SCC(=O)N2CCC(C)CC2)nc1N 417995 BJKYFDRTXIRJHW-UHFFFAOYSA-N 338.433 1.586 0 40 EDAB Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)s1 97109531 UATYDWJMZPEXPB-LBPRGKRZSA-N 330.479 1.677 0 40 EDAB O=C(c1ccc2c(c1)OCO2)[C@H](NCCO)c1ccc2c(c1)OCO2 1666288 GKHVLPRGDRVVCQ-QGZVFWFLSA-N 343.335 1.650 0 40 EDAB CC1(C)[C@@H]2CC[C@@]3(C)C(=O)N(NC(=O)c4ccc(O)cc4)C(=O)[C@]213 1803014 PEIVWBQRMKASBC-UYHISHBKSA-N 328.368 1.848 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)NCc2nc3ccc(F)cc3[nH]2)CC1 78963776 GIHSFBUFGXMRKZ-UHFFFAOYSA-N 347.394 1.712 0 40 EDAB CN1N=C(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)CCC1=O 78934250 XJRDQMARDFANEA-AWEZNQCLSA-N 337.383 1.622 0 40 EDAB COCCCNC(=O)CSc1nnc(N2CCCC2)n1C1CC1 22539615 SFWSUFNMAFTXNU-UHFFFAOYSA-N 339.465 1.458 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NCC(C)C 107747482 URWQPHGMBRHWKC-GFCCVEGCSA-N 328.434 1.443 0 40 EDAB C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOCC2)CC1 54993580 UJZFWOZMZIBTCM-HNNXBMFYSA-N 335.423 1.363 0 40 EDAB O=C(C1CC1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 9823881 CAFAGOWMZWKQHX-UHFFFAOYSA-N 349.398 1.269 0 40 EDAB O=C(CNC(=O)C1CC1)Nc1ccn(Cc2cccc3cccnc23)n1 61599296 MRNLKZOCQDIKCX-UHFFFAOYSA-N 349.394 1.944 0 40 EDAB Cc1cc(NC(=O)CN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)n(C)n1 47776114 XPWNXACIIBIVJW-GJZGRUSLSA-N 336.436 1.327 0 40 EDAB O=C1NC(=O)[C@H]([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cccc(F)c3)C2)N1 108483435 ZSYZTXBUEHTXJX-NGFQHRJXSA-N 345.374 1.376 0 40 EDAB CN(Cc1nc(N)nc(N(C)C)n1)Cc1nc2ccccc2s1 27367060 WFOVLNVEGSFSSK-UHFFFAOYSA-N 329.433 1.762 0 40 EDAB COC(=O)C[C@H](NC(=O)C(=O)Nc1cc(C)on1)c1cccs1 47969645 SCYSFVVWUCZQGO-VIFPVBQESA-N 337.357 1.404 0 40 EDAB COCCn1nc(C)c(CNC(=O)c2ccc(C(N)=O)cc2)c1C 58227943 UHQDXHHCXWTOHC-UHFFFAOYSA-N 330.388 1.175 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 58207661 TYHQNGWTCVXDDC-GFCCVEGCSA-N 349.474 1.577 0 40 EDAB Cc1ncc(CN2CCC(N3CCS(=O)(=O)CC3)CC2)s1 97147494 RUVQXXBTNOYVOX-UHFFFAOYSA-N 329.491 1.146 0 40 EDAB Cc1ccc(C(=O)NCCNC[C@H]2CNc3ccnn3C2)cc1F 58299000 HOJGEBHPROWRDB-ZDUSSCGKSA-N 331.395 1.392 0 40 EDAB CCOCCCNC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 2179282 ZKJVYWSBRUMLDM-UHFFFAOYSA-N 342.461 1.612 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCCNc1ncccn1 48010420 FHRAJKJGYQMMKE-UHFFFAOYSA-N 330.436 1.717 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)CN1CCOCC1 44940418 MKOSPUWCMXGRIH-AWEZNQCLSA-N 344.415 1.331 0 40 EDAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NCc1ccccn1 44900887 IZJJQFOZMLJSRJ-UHFFFAOYSA-N 329.404 1.806 0 40 EDAB C[C@@H](NC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccncc1 44909955 JVWYSTAZQAIYJK-GFCCVEGCSA-N 348.428 1.332 0 40 EDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1n[nH]c2ccccc12 46050197 AQIJMPJQWQIOLY-XJKSGUPXSA-N 344.415 1.030 0 40 EDAB Cc1ccc(CNC(=O)CCn2nnc3ccccc3c2=O)s1 48367169 GUFZZXPCJJNTPQ-UHFFFAOYSA-N 328.397 1.868 0 40 EDAB O=C(CN1CCCCCC1=O)NCc1ccc(Cn2cncn2)cc1 48312840 JKCAVEYSXCHRDS-UHFFFAOYSA-N 341.415 1.345 0 40 EDAB CC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(C)C1 20464349 JQARLPXYZSMHOW-RYUDHWBXSA-N 330.344 1.347 0 40 EDAB biogenic,in-vitro COc1ccc(C(N)=O)c(OCC(=O)Nc2ccccc2OC)c1 13068630 MPRXGUXRSKKZPV-UHFFFAOYSA-N 330.340 1.820 0 40 EDAB COc1cc(C)ccc1NC(=O)N1CCN(C[C@@H]2COCCO2)CC1 71911816 SDKMGWKNOJGSSC-OAHLLOKOSA-N 349.431 1.569 0 40 EDAB CC(C)[C@H]1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2NC1=O 3887418 DPWJRIASYIFDSA-CQSZACIVSA-N 339.417 1.096 0 40 EDAB O=C(O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)C1 13260662 CTBDYXLTZRXPJZ-RYUDHWBXSA-N 334.347 1.502 0 40 EDAB Cc1ccccc1-n1nnnc1SCC(=O)Nc1ncccn1 9683423 AWYKIPBXHRMUCY-UHFFFAOYSA-N 327.373 1.492 0 40 EDAB COC(=O)c1ccsc1NC(=O)C[C@H]1SC2=NCCN2C1=O 61720067 YPAOEBWOGGGLIT-MRVPVSSYSA-N 339.398 1.177 0 40 EDAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cn(C)cn1 65553921 HTMHFSHCAAEILX-NSHDSACASA-N 336.417 1.749 0 40 EDAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCCCO 5307360 AFKALKNRMLEXOE-UHFFFAOYSA-N 331.368 1.549 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N1CCC[C@H](n2cccn2)C1 65614358 RURVRPFACRSQFB-AWEZNQCLSA-N 339.461 1.794 0 40 EDAB O=C(Cc1cccc2cccnc12)NC[C@H]1CN2CCC[C@@H]2CO1 65626598 BAUPBDHBKXDFPC-SJORKVTESA-N 325.412 1.757 0 40 EDAB COc1ccc(CCN2CCCC[C@H]2C(=O)N2CCOCC2)cc1 66892912 UMIQOEAKTTWRFN-SFHVURJKSA-N 332.444 1.951 0 40 EDAB C[C@@H](C(=O)NC(=O)NC1CC1)N(C)Cc1cnn(-c2ccccc2)c1 9388284 NEVKJAABELCGDE-ZDUSSCGKSA-N 341.415 1.681 0 40 EDAB CC[C@H](C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 7647214 OAJDIZXAFGHWRF-KGLIPLIRSA-N 339.413 1.027 0 40 EDAB Cc1[nH]c2ccc(CNC(=O)[C@H]3CCCN3S(C)(=O)=O)cc2c1C 68395233 KHALVWICDKIEKQ-MRXNPFEDSA-N 349.456 1.825 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3)o2)cc1 27984093 WSAWTYCNGKDCSZ-UHFFFAOYSA-N 349.412 1.775 0 40 EDAB COc1cccc(/C=c2\s/c(=C/C(=O)C(C)(C)C)n(C)c2=O)c1 96759146 AXGPXKHXBXBAAW-DGIOSINNSA-N 331.437 1.680 0 40 EDAB Cc1cccc(N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1C 7849643 FWAYVOKGOFZAAQ-HNNXBMFYSA-N 336.457 1.387 0 40 EDAB CC(=O)c1cccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)c1 7920342 XUZXBYHDWNMLEU-ZDUSSCGKSA-N 327.427 1.748 0 40 EDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NC1CCCCCC1 68994514 BWAQUWMVRZTHAN-INIZCTEOSA-N 343.427 1.989 0 40 EDAB Cc1cccc(NC(=O)C[C@H](NCCCn2ccnc2)C(=O)O)c1 16740599 WTANPHCFQYLJGW-HNNXBMFYSA-N 330.388 1.653 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2n[nH]c(=O)c3ccccc23)CC1 8216224 ZLGFMXQIOWEFBA-UHFFFAOYSA-N 344.371 1.274 0 40 EDAB O=C(CN1CCC[C@H](N2CCCC2)C1)NCc1ccc2c(c1)OCO2 70003675 GTZXLCQCSMXFJQ-INIZCTEOSA-N 345.443 1.592 0 40 EDAB CCOC(=O)c1cnn(CCN2CCC[C@@H](c3nc(C)no3)C2)c1N 70039368 QJCKUVQZLKSAFT-GFCCVEGCSA-N 348.407 1.213 0 40 EDAB O=C(N[C@@H]1c2ncnn2CC[C@]12CCN(C(=O)C1CC1)C2)C1CCC1 306141113 VLQNQVWIGWBSHD-KDOFPFPSSA-N 343.431 1.268 0 40 EDAB C[C@@H]1CN(CC2CCN(c3nccc(N(C)C)n3)CC2)C[C@@H](C)O1 91478872 VPGYUPAHTUFNLE-HUUCEWRRSA-N 333.480 1.868 0 40 EDAB c1ccc(OC[C@@H]2CCOC23CN(c2ccc4nncn4n2)C3)nc1 306144451 ZFQWLVFRPGIZOR-ZDUSSCGKSA-N 338.371 1.194 0 40 EDAB Cc1nc(CN2CCN(C[C@H](O)COCc3ccco3)CC2)oc1C 69655066 ICYBYEMRCHZMNB-INIZCTEOSA-N 349.431 1.580 0 40 EDAB NC(=O)c1cccc(CN2CCN(C[C@H](O)c3ccccc3)CC2)c1 69703622 PLWRBYDVMQYJQN-IBGZPJMESA-N 339.439 1.637 0 40 EDAB CN(CC(=O)Nc1ccc(F)c(-n2cccc2)c1)S(C)(=O)=O 69739791 NAKXFPJLMTUULI-UHFFFAOYSA-N 325.365 1.446 0 40 EDAB CCN(C(=O)c1cc(OC)cc(OC)c1)[C@H](C)CS(=O)(=O)CC 69879630 DLHURYKCWOQRJM-GFCCVEGCSA-N 343.445 1.989 0 40 EDAB O=C(CCn1nc2ccccn2c1=O)NCc1ccccc1Cl 69816381 WXJMZWYYLNUZGL-UHFFFAOYSA-N 330.775 1.856 0 40 EDAB COc1ccc(NC(=O)C(=O)NCC(C)(C)CN(C)C)c(Cl)c1 69980448 BZYLWELJYCFGHE-UHFFFAOYSA-N 341.839 1.991 0 40 EDAB C[C@](O)(CN1CCO[C@@H](C(N)=O)C1)c1ccccc1C(F)(F)F 110640740 KICPTZLSCQXSRQ-OCCSQVGLSA-N 332.322 1.099 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)Cc1cn3ccccc3n1)C2 71860210 URNPTSDXGBMFTI-UHFFFAOYSA-N 336.399 1.318 0 40 EDAB C[C@@H](O)CN1CCN(CCC(=O)NCCc2ccccc2)C[C@H]1C 71879590 GZVIINYHNMHWSU-IAGOWNOFSA-N 333.476 1.122 0 40 EDAB CNC(=O)[C@@H]1CCCN(C(=O)Cc2cc(C(C)=O)ccc2OC)C1 71896701 ZQMDBLVUBFPUDP-CQSZACIVSA-N 332.400 1.425 0 40 EDAB CCc1nc2ccccc2n1CC(=O)N1CCN(C[C@@H](C)O)CC1 71871058 JARFCCSUMQVYQO-CQSZACIVSA-N 330.432 1.124 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@@H]3CCCN3C)c(C)c12 71830037 YVRGYGHSKHREKL-ZDUSSCGKSA-N 345.447 1.021 0 40 EDAB CCN(CC)CC(=O)N1CCN(C[C@@H](O)c2cccc(F)c2)CC1 71803074 MWXSCABZPAJMSZ-QGZVFWFLSA-N 337.439 1.345 0 40 EDAB O=C(NCc1nnc2ccccn12)N[C@@H]1CCN(c2ccccc2)C1 72270045 NMLMQEUVKJNCLS-CQSZACIVSA-N 336.399 1.807 0 40 EDAB OC[C@H]1CCCN1c1cc(NC[C@H](O)c2ccc(F)cc2)ncn1 72276103 ZPVVPVCIVVMTAR-CABCVRRESA-N 332.379 1.722 0 40 EDAB COC(=O)C1=C(C)O[C@H](CSc2nnnn2Cc2ccco2)C1 95444457 FSWOOYGNUNEXQY-NSHDSACASA-N 336.373 1.642 0 40 EDAB Cc1nonc1C(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 95438364 YPUVAFYNKBFEHC-JKSUJKDBSA-N 349.479 1.787 0 40 EDAB Cc1nn(CC(=O)N2CCCC[C@@H]2C(=O)O)c(=O)c2ccccc12 95400108 NPDHNCDPKUDJTL-CQSZACIVSA-N 329.356 1.171 0 40 EDAB CCc1ccc(CC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 95401277 FOYXMWAZSXLSEI-MRXNPFEDSA-N 338.473 1.579 0 40 EDAB CN(C)c1cccc(CNC(=O)N[C@H]2COc3ccccc3C2)n1 95438038 GWGXSKGIBUZRMN-OAHLLOKOSA-N 326.400 1.951 0 40 EDAB O=C(NCc1ccccc1)[C@@H]1CSCN1C(=O)Cc1ccc[nH]1 95445124 DSWRBROFIWAWBX-HNNXBMFYSA-N 329.425 1.775 0 40 EDAB C[C@H](Oc1cccc(Br)c1)C(=O)NCc1nc[nH]n1 95401883 IABUBHSRHGAXSV-QMMMGPOBSA-N 325.166 1.651 0 40 EDAB CO[C@H]1CCCC[C@H]1NC(=O)N1CCN(Cc2ccncc2)CC1 74758822 JWYHVLMSJVLCTR-SJORKVTESA-N 332.448 1.866 0 40 EDAB CCc1cc(=O)[nH]c(-c2ccc(N3CCC[C@H]3C(=O)N(C)C)nc2)n1 89282725 HCOGAFVATWPCIG-AWEZNQCLSA-N 341.415 1.451 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(c3ncnc4ccsc34)CCO2)n1 75128635 BFKZSCVVVBOCBY-GFCCVEGCSA-N 330.417 1.805 0 40 EDAB CN1CCN(C2CCN(Cc3cccc4c3OCCO4)CC2)C1=O 75604267 SPJRGNZIUCKEGN-UHFFFAOYSA-N 331.416 1.790 0 40 EDAB C[C@H](c1ccccc1)N(C)C(=O)c1cc(N2CCNC(=O)C2)ccn1 188751994 CHFDOYDVMYYWIM-CQSZACIVSA-N 338.411 1.851 0 40 EDAB CC(=O)Nc1cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)ccc1F 521394453 JHCAJGTYUBHTQO-BONVTDFDSA-N 343.424 1.497 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(C)C)cc1C 408554487 SJDMTIWQNJFKGW-LBPRGKRZSA-N 328.434 1.443 0 40 EDAB Cn1ccnc1CN1CCC[C@](CCCc2ccncc2)(C(N)=O)C1 72367260 HYUCMIGKGUQRCD-IBGZPJMESA-N 341.459 1.906 0 40 EDAB CS(=O)(=O)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1 72335420 XEOAQELRVHOHRI-UHFFFAOYSA-N 339.442 1.568 0 40 EDAB CNCC(=O)N1CCC[C@H]1c1ccnc(Nc2ccc(C)cn2)n1 72383014 LZMHAGTUKHOSEA-AWEZNQCLSA-N 326.404 1.807 0 40 EDAB CCn1cc(C(=O)N2CCN(c3nncc4ccccc34)CC2)cn1 73102239 VODDFWMHEUXTNY-UHFFFAOYSA-N 336.399 1.809 0 40 EDAB Cc1nc(Nc2ccccc2)cc([C@H]2CN(S(C)(=O)=O)CCO2)n1 72387114 BLHHKIXCPDUFAX-OAHLLOKOSA-N 348.428 1.862 0 40 EDAB Cc1cc([C@@H](O)CNC(=O)C(=O)NCc2ccc(F)cc2)c(C)o1 1565519974 YGPKRLDKYFEWJX-HNNXBMFYSA-N 334.347 1.502 0 40 EDAB Cc1cccc(Nc2cncc([C@@H]3CCCN(C(=O)CO)C3)n2)n1 72354362 RVUKGTZPUNQIIC-CYBMUJFWSA-N 327.388 1.622 0 40 EDAB C[C@H](N)C(=O)N1CCC[C@@H](CN(C(=O)OC(C)(C)C)C2CC2)C1 79409924 WXKCFDPILGZOSE-QWHCGFSZSA-N 325.453 1.972 0 40 EDAB O=C1CCCN1C1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 563822227 YMGKXJUIOYAJQB-LJQANCHMSA-N 343.471 1.979 0 40 EDAB CN(C)c1ncc2c(n1)CN(c1cccc(Cn3cccn3)c1)C2=O 40714359 KMKGOKNKFLEQCB-UHFFFAOYSA-N 334.383 1.948 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](C)N2C(=O)CCCc3ccccc32)CC1 227168719 MDBJXUSAGJEVGQ-CQSZACIVSA-N 343.427 1.435 0 40 EDAB C[C@H]1CCCN(C(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)C1 224051149 WUDMGFXXLMAZCX-ZDUSSCGKSA-N 340.445 1.720 0 40 EDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cccnc2)s1 225735785 FBCGXJUIPGBKDL-UHFFFAOYSA-N 327.391 1.328 0 40 EDAB CCC(=O)NS(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1 225471832 WQCLLHNJLSSBAU-UHFFFAOYSA-N 339.291 1.707 0 40 EDAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1cnc3ccccc3n1)CC2 225787453 FNZBGZINPDQWOK-LBPRGKRZSA-N 335.367 1.011 0 40 EDAB C[C@H]1CCc2ccccc2N1CCC(=O)N[C@@H]1CCC(=O)N(C)C1 81431281 ODTHJRYTVDCWOU-GOEBONIOSA-N 329.444 1.955 0 40 EDAB COc1cc(OC)cc(N2CC[C@H](N(C)Cc3ncccn3)C2=O)c1 192113470 KMGRSNRWTJVVLM-INIZCTEOSA-N 342.399 1.731 0 40 EDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1cccnc1 96060566 HWUFPFDGCAUNNE-OAHLLOKOSA-N 327.388 1.469 0 40 EDAB CCn1cnc2c1[C@@H](C(=O)O)CN(S(=O)(=O)c1ccccc1)C2 96196764 MUSHGEWIQYUILD-LBPRGKRZSA-N 335.385 1.276 0 40 EDAB O=C([C@@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@H]2O1)N1CCCCO1 96066252 FHAHZVHLBANZMY-YESZJQIVSA-N 337.464 1.116 0 40 EDAB CN(C)[C@@H](C(=O)N1CCO[C@@H](c2nncn2C)C1)c1ccccc1 583621759 KFCHPRDEHCYYOE-HUUCEWRRSA-N 329.404 1.018 0 40 EDAB Cc1nnc([C@@H]2CNC(=O)[C@@H]3CCN(Cc4ccncc4)CC[C@H]23)o1 96043534 CZEVCJXQFBSFLF-ARFHVFGLSA-N 341.415 1.515 0 40 EDAB CN1CCC[C@@H](CNC(=O)COc2cccnc2)[C@@H]1c1cncn1C 583621217 WOBYVZQNDDFASR-KBXCAEBGSA-N 343.431 1.393 0 40 EDAB CC(=O)N1CCC(NC[C@H]2COCc3nc4cc(F)ccc4n32)CC1 96112716 CVLAVHIGDFASDC-HNNXBMFYSA-N 346.406 1.847 0 40 EDAB biogenic,in-vitro CN1[C@H](COCC2CC2)CCC12CCN(S(=O)(=O)N(C)C)CC2 96207932 BMVNRCMLWVEAEN-HNNXBMFYSA-N 345.509 1.148 0 40 EDAB Cc1cnc(N2CCC3(CC2)C[C@H](C(=O)N2CCOCC2)CO3)nc1 96224894 ZLDLAFISRDGEPK-HNNXBMFYSA-N 346.431 1.019 0 40 EDAB CCN1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(C)cc2)CC1 96181527 QCHPSYYUCLZHCG-MSOLQXFVSA-N 345.443 1.057 0 40 EDAB C[C@H]1c2ccsc2CCN1CCNS(=O)(=O)c1cnn(C)c1 96441367 JUJBMZSRRQKPTD-NSHDSACASA-N 340.474 1.379 0 40 EDAB Cn1cc(CN2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 96048617 MZYQXZZHSHZZBV-LJQANCHMSA-N 339.443 1.830 0 40 EDAB O=S(=O)(C1CC1)N1CCn2cc(CNc3ccccn3)nc2C1 96197527 AVYJWBFFEOFWGM-UHFFFAOYSA-N 333.417 1.198 0 40 EDAB O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CO[C@H]2CNc2ncccn2)C1 96185382 WOTCPJDJRIFWKX-OAGGEKHMSA-N 339.399 1.461 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(CC2CCOCC2)Cc2cccn21 248057984 YMLFFDONGHQAIQ-QGZVFWFLSA-N 335.448 1.376 0 40 EDAB COCCNC(=O)Cc1cn2c(n1)[C@@H](C)N(Cc1ccsc1)CC2 247832915 IFNFEVGBXAGDQQ-CYBMUJFWSA-N 348.472 1.827 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)n1 257244678 IMIRVASADGEBPD-HNNXBMFYSA-N 329.404 1.589 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1S(=O)(=O)C(C)C 257297266 RGNVSXHVLXTJRW-CQSZACIVSA-N 340.449 1.296 0 40 EDAB O=C(/C=C/c1ccccc1F)N1CC[C@@](O)(CN2CCOCC2)C1 257311284 UITXDMDWHIMDQG-DUMMIQTOSA-N 334.391 1.135 0 40 EDAB Cc1cncc([C@@H]2CCCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 257324117 WNGLNZKZLCOMRI-CQSZACIVSA-N 338.477 1.388 0 40 EDAB C/C=C(\C)C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 585089404 KTZPTIHBERWSOP-LZWSPWQCSA-N 336.457 1.499 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CCCN2C2CCN(C(C)=O)CC2)n1 257293103 QOCPVYXRZWEHJA-KRWDZBQOSA-N 345.447 1.261 0 40 EDAB CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc2nc(O)sc2c1 585115440 ABPGGUZXMYMACW-CPCISQLKSA-N 348.471 1.393 0 40 EDAB COc1cc(CCC(=O)N(C)[C@@H]2CC[C@@H](n3ccnc3)[C@@H]2O)on1 257213099 CGDYVVQJQZDHGK-XJKCOSOUSA-N 334.376 1.035 0 40 EDAB COc1ccccc1CC(=O)N1CCOC[C@H](Cc2ccncn2)C1 257223286 DWQZGBNOLCQGKE-OAHLLOKOSA-N 341.411 1.745 0 40 EDAB CCCN1CCN(C(=O)c2cc(C)nc([C@@H]3CCCN3C)n2)CC1 257253366 JYPHRGZFTGJZPR-INIZCTEOSA-N 331.464 1.720 0 40 EDAB CC(C)(C)OC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](N)C(=O)O 87493202 HUGSUDASASBICX-NWDGAFQWSA-N 338.360 1.035 0 40 EDAB COCC(=O)NCCNc1cc(Nc2cc(C)ccn2)nc(C)n1 90607946 BTHMZYZBLLAQHH-UHFFFAOYSA-N 330.392 1.407 0 40 EDAB CN1C[C@H]2CN(C(=O)NCc3cc(OCC(F)F)ccn3)C[C@H]2C1 1614999072 LRIKTFLBOWDOIM-TXEJJXNPSA-N 340.374 1.429 0 40 EDAB Cc1cnc(C(=O)N2[C@H](C(=O)NC3CC3)C[C@@H]3OCC[C@@H]32)cc1C 1615550421 UPPXNVWRBPKTRR-JYJNAYRXSA-N 329.400 1.349 0 40 EDAB Cn1nc(CNC(=O)[C@@H]2NCCOc3ccccc32)cc1C1CC1 1615544495 BVQZJIBXRFFTJZ-QGZVFWFLSA-N 326.400 1.637 0 40 EDAB N[C@@]12CCC[C@@H]1CN(C(=O)C1(n3cc(Br)cn3)CC1)C2 1615549088 VBPARDQCTZKEQN-ZWNOBZJWSA-N 339.237 1.475 0 40 EDAB Cc1cc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)nn1CCO 1615614155 NDVPMGSHFONGDD-UHFFFAOYSA-N 335.307 1.402 0 40 EDAB Cn1ncc2ccc(-c3noc([C@]45CNC[C@H]4CCOC5)n3)cc21 1615617677 GOKKUMQJBRQCEW-DYVFJYSZSA-N 325.372 1.501 0 40 EDAB O=S(=O)(Cc1ccccc1)NCCn1ccnc1-c1ncccn1 96103909 FYGTZDLHFOSYLO-UHFFFAOYSA-N 343.412 1.460 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@H](C(=O)NCc2ccccn2)C1 575404312 AXPDDDLNKNXAQO-HNNXBMFYSA-N 327.388 1.134 0 40 EDAB Cn1cncc1CN1CCC[C@@]2(CCC(=O)N2C[C@@H]2CCCO2)CC1 585099797 AWJJHGOEKNGKJV-PKOBYXMFSA-N 346.475 1.946 0 40 EDAB COC(=O)CCc1nnn(Cc2ccn(-c3c(F)cccc3F)n2)n1 585141016 NNWVETTYZRSGCZ-UHFFFAOYSA-N 348.313 1.291 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 585108770 BLBZNVZIRGLBFX-MULDDASSSA-N 344.411 1.249 0 40 EDAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccnnc1 585111091 CZHWQGGSZZSDDJ-KRWDZBQOSA-N 349.394 1.765 0 40 EDAB COc1cc(C)c(S(=O)(=O)NCCc2cccnc2)cc1OC 27973135 UBARFUJAQKBXGJ-UHFFFAOYSA-N 336.413 1.928 0 40 EDAB COCc1csc(NC(=O)N[C@H]2CCOC23CCOCC3)n1 1548453485 DZWAZUJURBWPOP-NSHDSACASA-N 327.406 1.749 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1cc(Br)c(Cl)[nH]1)C2 69585804 XRTCDJRFAYUCHA-UHFFFAOYSA-N 344.600 1.987 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)c3ccc(C)nc3)CC2)n1 69518259 SIDZYXFSRJOJOH-UHFFFAOYSA-N 327.388 1.541 0 40 EDAB COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H]1CCCN(C(C)C)C1 69045524 FDRYAZYAVKHDGB-HUUCEWRRSA-N 327.469 1.994 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N(C)[C@@H](C)c1ccccn1 71803253 RSBDXWMPOMRGMV-LBPRGKRZSA-N 328.438 1.113 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)NCc2nnc3n2CCC3)c1 42955016 OGSZSMFEJUGUHO-LBPRGKRZSA-N 330.388 1.454 0 40 EDAB COC[C@@H](CCO)NS(=O)(=O)c1cc(C(C)(C)C)ccc1C 89651269 NEDYPSWQTVAGBY-CQSZACIVSA-N 329.462 1.968 0 40 EDAB Cc1cccc(-c2cccc(CNC(=O)c3cn(CC(N)=O)nn3)c2)c1 76065674 QBLFHWDSPKRIAS-UHFFFAOYSA-N 349.394 1.669 0 40 EDAB CC(C)C(=O)NCCCNS(=O)(=O)c1c(F)cccc1Cl 97147210 GJAGGFGZFVSJRU-UHFFFAOYSA-N 336.816 1.920 0 40 EDAB COc1ccc(-c2nn(CC(=O)N(C)C)c(=O)o2)c2ccccc12 12143029 AEHFCYFAWXMZBJ-UHFFFAOYSA-N 327.340 1.753 0 40 EDAB CCc1cc(C(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)no1 12406485 DSYBBMBXTVRQBY-JTQLQIEISA-N 331.376 1.428 0 40 EDAB Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N(C)C)c1 12774218 CGEJQGIUHSGVHB-UHFFFAOYSA-N 338.385 1.899 0 40 EDAB Cc1cccc(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 13647737 QQCLAPYBFMRPTQ-UHFFFAOYSA-N 344.392 1.456 0 40 EDAB CN(C)CCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 13649265 DEARSWAETWXODK-UHFFFAOYSA-N 347.868 1.174 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2ccc(C)cc2)c1 18075162 ZBJQWPANKVVICV-UHFFFAOYSA-N 348.424 1.712 0 40 EDAB CN(CCN1CCCCC1)C(=O)Cc1nn(C)c(=O)c2ccccc12 19288469 PGOMZCRGQGLENB-UHFFFAOYSA-N 342.443 1.420 0 40 EDAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1cc(C)ccc1OC 19365186 MOMWZSJUTXYGBO-QGZVFWFLSA-N 333.476 1.688 0 40 EDAB CC(=O)NCC(=O)N1CC[C@@H](c2nc(Cc3cccs3)no2)C1 19021276 NZNHKONWXJGLET-LLVKDONJSA-N 334.401 1.174 0 40 EDAB CC(C)S(=O)(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C)C[C@H]2C1 1888864005 TZPJKRQBYCHYOE-KBPBESRZSA-N 348.472 1.680 0 40 EDAB c1nc2c(c(N3CCN(c4ncnc5[nH]cnc45)CC3)n1)CCCC2 1888890096 PGRLPORIPCNTSH-UHFFFAOYSA-N 336.403 1.348 0 40 EDAB Cc1cc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)n2ncnc2n1 1888890385 IUAABKAJKVLKNG-ZIAGYGMSSA-N 348.366 1.059 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@@H](O)c1ccc(-n2cccn2)cc1 1888896987 VYIOJZSGGDTFTR-OAHLLOKOSA-N 341.371 1.078 0 40 EDAB O=C(CN1CCO[C@H](C(=O)N2CCCCC2)C1)Nc1ccccc1F 1888926773 YWUDTBXIQQZKIS-INIZCTEOSA-N 349.406 1.478 0 40 EDAB Cc1ccc(N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)nn1 1889138958 QRMDZWZHQDMVKI-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCS(=O)(=O)c1ccc(Cl)cc1 22014167 HWFYSXZIIQJJSX-CQSZACIVSA-N 344.864 1.666 0 40 EDAB CN1CCCC[C@@]2(CN(C(=O)CCc3cccc(F)c3)CCO2)C1=O 2037985569 ODNICBBVKFRLFN-LJQANCHMSA-N 348.418 1.998 0 40 EDAB COc1ccc(CNC(=O)N2CC(N3CCC(OC)CC3)C2)cc1 1565520028 BJSQOBNQSBOIEL-UHFFFAOYSA-N 333.432 1.700 0 40 EDAB O=C(C1CC(F)(F)C1)N1Cc2nccn2C[C@H](Cn2cncn2)C1 1565542806 URWWFBYNPHAUKH-NSHDSACASA-N 336.346 1.179 0 40 EDAB O=C(C1CC(F)(F)C1)N1C[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 1565546561 HFEDSFPUSJCELB-QWHCGFSZSA-N 338.358 1.186 0 40 EDAB O=C(NCc1cccs1)NCc1nnnn1-c1ccc(F)cc1 9616644 IFUDBXOKTFYDPW-UHFFFAOYSA-N 332.364 1.862 0 40 EDAB CNC(=O)Cn1nc(C)c2cnn(-c3ccc(C)c(C)c3)c2c1=O 13971178 GNPKCLSOJXYXHM-UHFFFAOYSA-N 325.372 1.253 0 40 EDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(Cc2cn[nH]c2)CC1 2055750569 FKVWFVGNOUOSHL-UHFFFAOYSA-N 343.431 1.611 0 40 EDAB CC(C)CCNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713608 NKFCFVMIGHHGMU-AWEZNQCLSA-N 348.447 1.080 0 40 EDAB O=C(Nc1ccccn1)c1ccc(S(=O)(=O)NCc2ccco2)o1 35597466 FAWXOSSEMJPJHF-UHFFFAOYSA-N 347.352 1.998 0 40 EDAB O=C(NC[C@H](O)c1cccs1)C(=O)Nc1ccc(F)cc1F 75156016 CVZBKFMBYXGQQE-NSHDSACASA-N 326.324 1.815 0 40 EDAB COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCSCC2)CC1=O 40122312 DKWYWFIZFVONFQ-ZDUSSCGKSA-N 334.441 1.932 0 40 EDAB CNC(=O)c1ccc(CN(C)[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 50506866 MMACLQWODSISME-RBSFLKMASA-N 347.459 1.502 0 40 EDAB Cc1nc(C)c(CC(=O)NCCc2ccc3c(c2)OCO3)c(=O)[nH]1 31218645 FTEUKPRDAUBZIS-UHFFFAOYSA-N 329.356 1.017 0 40 EDAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCCN1CCOCC1 40480574 BZPFOEFSPDWELJ-UHFFFAOYSA-N 345.447 1.773 0 40 EDAB Cc1nc2ccccc2nc1CS(=O)(=O)CC(=O)NC1CCCC1 40498809 LTGJWIDJOVRZGE-UHFFFAOYSA-N 347.440 1.912 0 40 EDAB CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100767440 JYMAHYMXWBVPRI-OYUZRVEBSA-N 345.443 1.345 0 40 EDAB COC(=O)c1c(SCC(=O)N[C@@H](C)C(C)C)nc(=O)[nH]c1C 31618068 LLGYGDKLIKWOEQ-QMMMGPOBSA-N 327.406 1.118 0 40 EDAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccncc2)Oc2ccccc21 40553408 AWTLEBUOCXBQND-AWEZNQCLSA-N 333.369 1.247 0 40 EDAB CC(C)N1C[C@@H](C(=O)NCc2cccc(N3CC=CC3)c2)CC1=O 101225986 WQDYWGVJQKQXCY-INIZCTEOSA-N 327.428 1.936 0 40 EDAB CN(C)Cn1cc(CCC(=O)N2CCN(C)CC2)c2ccccc21 20648103 PGGYZODZOQGYGS-UHFFFAOYSA-N 328.460 1.867 0 40 EDAB O=C(CSCc1nc2ccccc2c(=O)[nH]1)NCc1cccnc1 20737804 BJSWHSOYRPVJBC-UHFFFAOYSA-N 340.408 1.868 0 40 EDAB CCCCn1nc(C)c(/C=C/C(=O)N2CC[C@H](C(N)=O)C2)c1Cl 41128857 ZUVNNLUCJPYYRT-FYJFLYSWSA-N 338.839 1.992 0 40 EDAB CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)O)ccc12 488951 AOZXMYLQUITLQO-UHFFFAOYSA-N 333.340 1.634 0 40 EDAB biogenic CC1(C)[C@H]2CC[C@]3(C)C(=O)N(NC(=O)c4ccc(O)cc4)C(=O)[C@@]213 11990645 PEIVWBQRMKASBC-PJSAGSTRSA-N 328.368 1.848 0 40 EDAB NC(=O)C1(CNC(=O)Cc2ccc(C(F)(F)F)cc2)CCOCC1 52743694 ZDUNDLSPHGAKGG-UHFFFAOYSA-N 344.333 1.646 0 40 EDAB O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CC(=O)N(CC(F)(F)F)C1 75901468 HBKNXEZVIBHSBV-SNVBAGLBSA-N 328.290 1.971 0 40 EDAB CN1CC[C@H](NC(=O)NCc2cc(F)cc(Br)c2)C1=O 76018480 KKNZDGKOGWWDBP-NSHDSACASA-N 344.184 1.618 0 40 EDAB Cn1nc2c(cc1=O)CN(Cc1nnc(-c3ccc(F)cc3)o1)CC2 76064737 YLRMKHNZPNAFRB-UHFFFAOYSA-N 341.346 1.528 0 40 EDAB CCCNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(OC)cc1 21870340 OTZSGSPGQCHOJP-OAHLLOKOSA-N 342.461 1.914 0 40 EDAB C[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC[C@@H]1CCCO1 1345073 IBNQLIDJXYPBCV-WFASDCNBSA-N 331.368 1.689 0 40 EDAB COc1ccc(-c2cnc(CN(C)[C@H]3CCS(=O)(=O)C3)o2)cc1 41392754 JNDQNQIEOLPBNI-ZDUSSCGKSA-N 336.413 1.969 0 40 EDAB O=C(N1CCN([C@@H]2CCC[C@@H]2O)CC1)C1(c2ccc(F)cc2)CC1 78789507 WHMLRRGLNIHRDG-SJORKVTESA-N 332.419 1.915 0 40 EDAB CCc1nc(CN(C)[C@@H]2CCN(Cc3nnsc3Cl)C2)no1 78891452 VYQNFSMCPGWIRB-SECBINFHSA-N 342.856 1.843 0 40 EDAB C[C@H](NC(=O)CN1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1)c1ccco1 78900121 KDVOAEZHSVJRGK-RYUDHWBXSA-N 345.403 1.158 0 40 EDAB COC(=O)[C@H](CCSC)N1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 4837318 UMOGQTFWNXIEOH-VWYCJHECSA-N 331.821 1.799 0 40 EDAB O=C1C[C@@H](N2CCOCC2)C(=O)N1c1ccccc1Br 7213606 CAYBOHVXLZVMIX-GFCCVEGCSA-N 339.189 1.413 0 40 EDAB CCC[C@](C)(NS(=O)(=O)c1cc(OC)ccc1OC)C(=O)OC 46800022 CRXSPVBQJYBYCR-HNNXBMFYSA-N 345.417 1.714 0 40 EDAB CONC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O 53496445 CWAWSRUJDIIDEZ-ZCFIWIBFSA-N 327.134 1.111 0 40 EDAB C[C@H]1CCCN(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 46879817 ZEINGOKHNYDQRX-JKSUJKDBSA-N 344.459 1.278 0 40 EDAB COc1cccc(N2CCN(C(=O)N[C@@H](C)Cn3ccnc3)CC2)c1 47027663 ODSHEHVDGLZVOH-HNNXBMFYSA-N 343.431 1.812 0 40 EDAB CCC(CC)NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1 22931835 SDRJCAZPNLOTSU-UHFFFAOYSA-N 340.512 1.214 0 40 EDAB C[C@@H]1CN(CCNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C[C@@H](C)O1 42700451 CHMOIATVYDSBOU-LALPHHSUSA-N 349.406 1.477 0 40 EDAB CN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CC1 43035142 CSYNVDNFRKASJI-UHFFFAOYSA-N 336.457 1.849 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1 55037091 BMMJDZCXEDEXJI-PSASIEDQSA-N 343.836 1.925 0 40 EDAB O=C(c1cnns1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 47610864 GUZQBPZMYRFRQE-UHFFFAOYSA-N 346.412 1.267 0 40 EDAB CC[C@H](C)n1ncc2c(C(=O)N3CCS(=O)CC3)cc(C)nc21 108274541 RZDANPZMGZAZLA-LBPRGKRZSA-N 334.445 1.915 0 40 EDAB CC[C@H]1CN(Cc2nnc(Cc3ccccc3)o2)CCN1C[C@H](C)O 106906929 CJBDTCTWPZQNEK-RDJZCZTQSA-N 344.459 1.937 0 40 EDAB CN(C(=O)CS(=O)(=O)N(C)C)[C@@H](c1ccc(F)cc1)C1CC1 97107334 YQJAJGDCRANGQN-OAHLLOKOSA-N 328.409 1.627 0 40 EDAB O=C(COC(=O)c1ccc(Br)cc1)NC[C@@H]1CCCO1 3265269 QJHAFEBMBDDLJR-LBPRGKRZSA-N 342.189 1.901 0 40 EDAB COc1cc(OC)c(C(=O)OCC(=O)NCc2ccco2)cc1OC 3219262 VNRYPRKGDBRVJH-UHFFFAOYSA-N 349.339 1.779 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)Cn1ncc2ccccc21 102746721 TVCNKOHIJAWQKY-SYWGBEHUSA-N 327.384 1.740 0 40 EDAB COc1cccc(C(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)c1 44589550 XJSKEEUEFFHKSJ-GFCCVEGCSA-N 330.388 1.906 0 40 EDAB Cc1cc(NC(=O)C(=O)N2CC=C(c3ccc(O)cc3)CC2)no1 48031868 PCHLUZTYNXNCHE-UHFFFAOYSA-N 327.340 1.943 0 40 EDAB COC(=O)c1ccc(CNC(=O)NCC(=O)NCc2ccco2)cc1 27337193 FJHRFOHTBATRTD-UHFFFAOYSA-N 345.355 1.182 0 40 EDAB COc1cc(C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCC(N)=O 58017401 WJISPYGPQJBITK-JTQLQIEISA-N 342.779 1.122 0 40 EDAB CCCn1nc(C(=O)Nc2cc(F)ccc2C(=O)OC)ccc1=O 44761576 DFWIKWYJGAJKMC-UHFFFAOYSA-N 333.319 1.831 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1OC 10008793 JXSLCONQLCOTNZ-UHFFFAOYSA-N 348.424 1.842 0 40 EDAB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(Cl)cc1O 3352156 PEUOMBTXXIGXLW-UHFFFAOYSA-N 336.731 1.498 0 40 EDAB Cc1nc(C(=O)NCc2nncn2C)nn1-c1ccccc1C(C)C 58210751 OSEDKLPEMYEZSK-UHFFFAOYSA-N 339.403 1.758 0 40 EDAB Cc1cc(=O)c(C(=O)N2C[C@@H](C)OC[C@H]2C)nn1-c1ccccc1F 44909512 CJWNJJFIKKEXTJ-CHWSQXEVSA-N 345.374 1.929 0 40 EDAB CCN(CC)[C@@H](C)CNC(=O)c1cc(S(N)(=O)=O)c(C)cc1C 58343915 UHKOOCBRBGPNJR-ZDUSSCGKSA-N 341.477 1.411 0 40 EDAB CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)CC1 58678467 DPEZBGZYMFLXDY-SFHVURJKSA-N 344.459 1.601 0 40 EDAB OCCN1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 48340561 OWKJLYQSNZAYKR-UHFFFAOYSA-N 347.419 1.711 0 40 EDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1n[nH]c2ccccc12 46050194 AQIJMPJQWQIOLY-CJNGLKHVSA-N 344.415 1.030 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@@H](C)O1 46036819 UTGDNZXBNUAGRF-BYNSBNAKSA-N 334.482 1.525 0 40 EDAB CN(CCO)CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 70924364 OMAZXWMMJNOVIL-UHFFFAOYSA-N 345.399 1.097 0 40 EDAB CN1CCN(C(=O)NCCCn2cncn2)[C@H](c2ccccc2)C1 65406150 QLWZPPMFVJCNTJ-INIZCTEOSA-N 328.420 1.367 0 40 EDAB Cc1nc(N2CCC(CC(=O)N3CCCC3)CC2)c2cnn(C)c2n1 65529686 IYPDQOXVVFFSRJ-UHFFFAOYSA-N 342.447 1.901 0 40 EDAB Cc1ccc(-c2nnn(CN3CCN(c4ncccn4)CC3)n2)cc1 14114513 ZUWIUBFAVIHAHW-UHFFFAOYSA-N 336.403 1.218 0 40 EDAB CC(=O)N(CCS(=O)(=O)N1CCCCC1)Cc1cccnc1 9060666 IOWAQJWWYFQRHX-UHFFFAOYSA-N 325.434 1.246 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)cc1 5451523 XLTHEKBLNNWAGE-UHFFFAOYSA-N 343.368 1.666 0 40 EDAB CN(C)C(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 5627490 BXIGPJASHKGFBA-UHFFFAOYSA-N 336.432 1.341 0 40 EDAB COc1ccc(NC(=O)COC(=O)c2ccc(=O)[nH]n2)cc1Cl 5695059 YPSBRSVLYAFNCC-UHFFFAOYSA-N 337.719 1.227 0 40 EDAB CCN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H](C)Cc1ccc(OC)cc1 66805383 NBFSBAATDBPFNN-DZGCQCFKSA-N 339.457 1.909 0 40 EDAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1Cl 15420676 WNDDLUVAKQROQI-UHFFFAOYSA-N 332.809 1.063 0 40 EDAB COC[C@H](NC(=O)Cn1cc(C2CC2)nn1)c1ccc(F)c(F)c1 91160399 RJZKKSLSXYRBFP-HNNXBMFYSA-N 336.342 1.938 0 40 EDAB COc1ccc(CCNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 8187307 YEYMEXVBOCBHAQ-SFHVURJKSA-N 345.399 1.074 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1cccc2ccccc12 16740149 MBOUNMXVMJUGGV-UHFFFAOYSA-N 349.350 1.215 0 40 EDAB CC(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(F)c1 8262839 CKHUNDLFVIYMFU-UHFFFAOYSA-N 347.346 1.831 0 40 EDAB COCCN1CCN(CC(=O)NCCc2cccs2)C[C@@H]1C 70006271 PZNCDYRGYCOPFT-AWEZNQCLSA-N 325.478 1.059 0 40 EDAB Cc1ccc2nc(CN3CCCC[C@@H]3C3OCCO3)cc(=O)n2c1 69454422 RDETYNWPVWJVBU-OAHLLOKOSA-N 329.400 1.730 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)COC3CCCC3)CC2)n1 69518099 OWNPQIPPDOFVQD-UHFFFAOYSA-N 334.420 1.483 0 40 EDAB CS(=O)(=O)CCN(CCO)Cc1ccccc1Br 69738871 BHYWEJVFMBJVNW-UHFFFAOYSA-N 336.251 1.288 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@@H](C)NC(N)=O)C1 69776451 VCWXNZXFMGZPRT-MWLCHTKSSA-N 340.811 1.100 0 40 EDAB O=C(CSc1nc(O)c(-c2ccccc2)c(=O)[nH]1)N1CCOCC1 17945642 LISHZQVNXRYYNM-UHFFFAOYSA-N 347.396 1.093 0 40 EDAB O=C([C@H]1CCCN1Cc1ccccc1)N1CCCS(=O)(=O)CC1 69843486 DNHUBATWPUZBNL-MRXNPFEDSA-N 336.457 1.298 0 40 EDAB C[C@@H]1CCCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 71842053 KPQYWWUBHPUDID-CYBMUJFWSA-N 349.460 1.688 0 40 EDAB Cc1cc(C)n(CC(=O)NCCCC(=O)N2CCc3ccccc32)n1 71896838 QPIIGXPZIPOIRK-UHFFFAOYSA-N 340.427 1.986 0 40 EDAB NC(=O)C1CCN(c2ncccc2CNC(=O)c2ccccn2)CC1 71847566 MDQGPPUGGONFTR-UHFFFAOYSA-N 339.399 1.108 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cnn(-c2ccccc2)c1 71832843 NNXARJBIKQSHKG-STQMWFEESA-N 348.428 1.147 0 40 EDAB C[C@H](CNC(=O)COc1ccc(F)cc1F)N1CCN(C)CC1 71867414 LLMKZPPZLIOUIX-GFCCVEGCSA-N 327.375 1.096 0 40 EDAB CC[C@H](NC(=O)N1CCc2ccccc2CC1)C(=O)N1CCOCC1 84458480 GCIHNBPTBCFYFI-KRWDZBQOSA-N 345.443 1.434 0 40 EDAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCC(=O)NC2)cc1 95350710 SHRPMYVSEWVUFI-IUODEOHRSA-N 345.399 1.151 0 40 EDAB C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@H]1N(C)C 84714329 NCCZVXLZODZZGP-ZYHUDNBSSA-N 342.237 1.019 0 40 EDAB CC(C)c1nc(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)c[nH]1 95401003 GDJCUWXLFJZAHZ-UHFFFAOYSA-N 341.415 1.963 0 40 EDAB O=C(C1CCCCC1)N1CCC(N2CCS(=O)(=O)CC2)CC1 95467394 BCMOFPITNPZDSZ-UHFFFAOYSA-N 328.478 1.288 0 40 EDAB C[C@@H]1NC(=S)N([C@@H](Cc2ccccc2)C(=O)N2CCCC2)C1=O 69420247 YOBGSVFXURFXNL-JSGCOSHPSA-N 331.441 1.325 0 40 EDAB NC(=O)[C@@H]1CSCCN1Cc1ccnc(-c2ccc(F)cc2)n1 95452675 LLRJDCMODXRVQZ-AWEZNQCLSA-N 332.404 1.685 0 40 EDAB CN1CC[C@H](NC(=O)NCCc2csc(-c3ccccc3)n2)C1=O 84904309 MHSAXXZRBWJJJW-AWEZNQCLSA-N 344.440 1.883 0 40 EDAB CCN(CC)C(=O)[C@H](C)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 89967567 OUYPIYCQMMFSSV-WDEREUQCSA-N 347.385 1.749 0 40 EDAB O=C(O)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccnc1 547889758 LVFZYPFCQTZJOR-UHFFFAOYSA-N 338.360 1.886 0 40 EDAB Cn1nccc1S(=O)(=O)N[C@H](C(=O)O)c1ccc(Cl)c(F)c1 548559777 BNEBHEOTXXKEAZ-NSHDSACASA-N 347.755 1.317 0 40 EDAB COc1ccc(NC2=CC(=O)NC2)cc1N1CCCCS1(=O)=O 524735277 NOTIIMXWTMPPRB-UHFFFAOYSA-N 337.401 1.051 0 40 EDAB CCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 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1.452 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@]3(COC[C@@H]3CO3)O2)cc1 135906672 XFUHVCZVGQJFMO-LAIHZFQQSA-N 341.363 1.223 0 40 EDAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2ccccc2Cl)C1 225678676 LIEJSZISWBBVJC-UHFFFAOYSA-N 339.804 1.372 0 40 EDAB Cn1cccc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 195529899 IKCLSRTZVDXJTH-IIAWOOMASA-N 327.428 1.958 0 40 EDAB COc1cncnc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 577229027 WUHYFDRELWLGLH-UHFFFAOYSA-N 348.384 1.178 0 40 EDAB O=C(N1CCCC1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 96055058 CQNHOIKUOVSLAZ-IAGOWNOFSA-N 330.432 1.573 0 40 EDAB Cn1cc(C(=O)N2CC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)cn1 96107746 ZDQDANKOMQHTKK-AEFFLSMTSA-N 349.431 1.237 0 40 EDAB CC(=O)N1[C@H]2CCN(Cc3nccs3)C[C@H]2C[C@@H]1Cn1cccn1 96185696 NUFDSYXQHSSPCC-OAGGEKHMSA-N 345.472 1.851 0 40 EDAB O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@@H](c1ccccc1)n1cnnn1 95475553 WGKWBYUSARGKNU-OAHLLOKOSA-N 346.354 1.686 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c(C)c1 583616475 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COc1cc(N2C[C@@H]3CCN(Cc4ccncc4)C(=O)[C@H]3C2)ncn1 247921471 XTMKVEGTKWPAMV-GJZGRUSLSA-N 339.399 1.365 0 40 EDAB Fc1cnc(N2CC3(C[C@@H](OCc4ccncc4)CCO3)C2)nc1 247509064 HTTVHTPOTBLCKA-HNNXBMFYSA-N 330.363 1.965 0 40 EDAB COc1cccc(CN2CCC(NC(=O)c3cncn3C)CC2)c1 585084408 UNKHMMQNJYAXPT-UHFFFAOYSA-N 328.416 1.823 0 40 EDAB Cn1nnc2cc(S(=O)(=O)NCC(C)(C)CCCO)ccc21 585089057 IBECVRBBHGLMDN-UHFFFAOYSA-N 326.422 1.045 0 40 EDAB CN(Cc1cccnc1)[C@@H]1CCN(C(=O)c2ccoc2)[C@@H](C(=O)O)C1 248145950 VUHUCPWKFZWCSJ-HZPDHXFCSA-N 343.383 1.864 0 40 EDAB O=C(CO[C@H]1CSC2(C1)CN(Cc1cccnc1)C2)N1CCCC1 247743254 PIVMYSSMWOZIIQ-MRXNPFEDSA-N 347.484 1.781 0 40 EDAB CCOC(=O)N1CCC(NCc2cnc(Br)cn2)CC1 585135966 KRTLVBQSDMFSFZ-UHFFFAOYSA-N 343.225 1.950 0 40 EDAB CC(C)C[C@H](CNC(=O)c1ccn(C)n1)CC(=O)O[C@H]1CCOC1 585125987 KKZXJIBKMUYUHV-KBPBESRZSA-N 337.420 1.534 0 40 EDAB CCO/C=C/[C@@](O)(CNC(=O)N[C@@H](CC)COC)C(F)(F)F 585137168 LABOTIZECHSQPS-SKBQGCEYSA-N 328.331 1.554 0 40 EDAB COCC(=O)N1CC[C@@H](Cc2nccnc2-c2c(C)n[nH]c2C)C1 257289089 PWXXADXFKOYFLX-ZDUSSCGKSA-N 329.404 1.521 0 40 EDAB Cc1nccc(N2CCC[C@H](Cc3[nH]ncc3S(C)(=O)=O)C2)n1 257260901 LEYSYVIGEJVNAA-GFCCVEGCSA-N 335.433 1.371 0 40 EDAB O=C(N1CCCC1)[C@]1(c2cnccn2)CCCN1Cc1ccccn1 257304397 SLLAYFFRRCQVBZ-LJQANCHMSA-N 337.427 1.985 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)N2CCCC2)C[C@H]1c1ccccc1 257287788 PRNKNEVUQFTIQL-INIZCTEOSA-N 337.445 1.232 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(C(=O)c2c(C)n(C)c3ccccc23)C1 257224106 FAIRAQRXDMFRKE-AWEZNQCLSA-N 342.443 1.237 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)CCc1cccnc1 257227477 FPMCLRQZYNGOLT-QGZVFWFLSA-N 340.427 1.973 0 40 EDAB CCS(=O)(=O)N1CCC(Cc2cnc(CN(C)C)cn2)CC1 257205968 BBGYNTKNHLCWEX-UHFFFAOYSA-N 326.466 1.142 0 40 EDAB CCCc1cc(C(=O)N2CCO[C@@H](c3ncc(CN(C)C)[nH]3)C2)no1 257343350 ZSNUZCLSFALSHB-OAHLLOKOSA-N 347.419 1.626 0 40 EDAB O=C(Cn1cncn1)N1CCC(c2nc(-c3ccccn3)no2)CC1 588069400 ZHBCRBYOBDTPOK-UHFFFAOYSA-N 339.359 1.129 0 40 EDAB COCc1ccc(S(=O)(=O)N[C@@]2(CC(=O)O)CCCOC2)cc1 1606963891 YZZYUDIPNYKMGE-OAHLLOKOSA-N 343.401 1.135 0 40 EDAB CN(Cc1nnc[nH]1)C(=O)NCc1ccc(N2CCCCCC2)nc1 284314187 ZHCLYYVPVWCUOF-UHFFFAOYSA-N 343.435 1.922 0 40 EDAB CC(C)(COCc1ccccc1)C(=O)N1C[C@@H](CO)[C@H](CCO)C1 1615585622 FJYLSGJFHBGEQX-SJORKVTESA-N 335.444 1.679 0 40 EDAB CN(Cc1cn(C)nn1)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2 1615604653 CRTNOBBTWPKMBK-UHFFFAOYSA-N 338.477 1.793 0 40 EDAB O=C(Cc1cccc(Br)c1)N1C[C@@H](CO)C[C@H]1CO 1615604913 FXRBFHGGHVPPDG-AAEUAGOBSA-N 328.206 1.193 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc2n(n1)CCO2 290768251 LXTHDMGHSYQTCD-LBPRGKRZSA-N 329.356 1.578 0 40 EDAB O=C(c1cn[nH]c1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575414922 QLFKBVHBYVOGDM-LBPRGKRZSA-N 325.415 1.473 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)C2(c3ccccn3)CC2)C1 585140633 ICHUFHREUIHPCB-HNNXBMFYSA-N 327.428 1.878 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C(=O)CC1(CC(=O)O)CCCC1)C1CC1 585134410 RKVUERHQRPMAIJ-LBPRGKRZSA-N 345.461 1.836 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCCN(C(=O)CN2CCOCC2)C1 585277919 XRFSWSGGKLJQHT-IBGZPJMESA-N 348.443 1.060 0 40 EDAB CNC(=O)CC[C@]1(OC)CCCN(Cc2ccc(C(=O)O)cc2)C1 585278031 PDPSZSGSLKCPDG-GOSISDBHSA-N 334.416 1.892 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)Cc2ccc(Cn3cccn3)cc2)[C@@H]1O 585291566 QEVJDKXWQXCTFM-KURKYZTESA-N 331.416 1.138 0 40 EDAB CC(=O)N1CCCC[C@@H]1CC(=O)NS(=O)(=O)c1ccc(F)cc1 69569795 KUDNZOLQXGGXPS-CYBMUJFWSA-N 342.392 1.422 0 40 EDAB CCOc1cccc([C@@H](C)NC[C@@H]2CNc3c(C(N)=O)cnn3C2)c1 69739535 FWDJQPDFZNMEMR-CHWSQXEVSA-N 343.431 1.773 0 40 EDAB CN(C)C[C@@H]1CN(CCCc2nc(-c3cccs3)no2)CCO1 70021093 FUWLWDYNAQAHAI-CYBMUJFWSA-N 336.461 1.993 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)C[C@H]1C 70020627 VZHAYXDHFDAWGT-CABCVRRESA-N 337.468 1.444 0 40 EDAB Nc1nc(SCc2nnnn2-c2ccc(C(F)(F)F)cc2)n[nH]1 54429016 AMJPBBCBJQMHOE-UHFFFAOYSA-N 342.310 1.674 0 40 EDAB O=C1CC[C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)CN1 71909473 MDGIXSUDZMFXPL-MRVPVSSYSA-N 340.298 1.401 0 40 EDAB O=C(NCC1(O)CCCCC1)[C@H]1CN(Cc2ccccc2)CCO1 75209658 NIXLTKYYRYYQDX-QGZVFWFLSA-N 332.444 1.699 0 40 EDAB Cc1ccc(CNC(=O)c2ccc(=O)n(C)n2)c(OCC2CC2)c1 89623726 BTWYKQDICIZEPB-UHFFFAOYSA-N 327.384 1.808 0 40 EDAB O=C(O)c1c[nH]c2c(I)cc(F)cc2c1=O 84193523 BTWQDSVEXHJEFI-UHFFFAOYSA-N 333.056 1.970 0 40 EDAB CC(C)CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc(-c3ccccc3)cn2)[C@H]1O 1534640193 RLKAXHOJQPTRRH-IEWDOMPSSA-N 343.427 1.821 0 40 EDAB O=C(N[C@H](C(=O)O)[C@@H](O)c1ccncc1)c1cc2c(s1)CCCC2 1548599754 MKIKHEXVYWKWOV-GJZGRUSLSA-N 346.408 1.939 0 40 EDAB C[C@H](N)C(=O)N1[C@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 12088950 JJGKMUOINUOBSS-YBVBUHPZSA-N 328.416 1.268 0 40 EDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCc1cccs1 13023169 HSMWKFJOVXWDQK-ZIAGYGMSSA-N 334.441 1.972 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)cc1C 16692186 SQMWGMUBDXLNJN-UHFFFAOYSA-N 342.461 1.929 0 40 EDAB CC(C)c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 17067216 OQRNXFOZDUCVTH-XGUBFFRZSA-N 328.368 1.617 0 40 EDAB O=C(Cc1ccc(Cl)cc1)NN1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 17070550 RJIZTXJEPYRSSO-VWUVDNNOSA-N 334.759 1.076 0 40 EDAB COCCN1CCN(C(=O)c2ncoc2-c2cccc(OC)c2)CC1 19593407 HFFHDGRGXZJLJV-UHFFFAOYSA-N 345.399 1.754 0 40 EDAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)C(=O)Nc1ccccc1 225574579 QQNKWCNUZVLWIA-MRXNPFEDSA-N 347.484 1.959 0 40 EDAB O=[S@]1C[C@@H]2C[C@H]1CN2C[C@H](O)Cc1ccccc1C(F)(F)F 593102411 WOMAHFDRLIQNQL-YRJUUEJZSA-N 333.375 1.814 0 40 EDAB Cc1nc(N2CCN(C(=O)CCC(F)(F)F)CC2)nc(O)c1F 1888834308 ZATFPFGJBXHLHG-UHFFFAOYSA-N 336.289 1.621 0 40 EDAB O=C([C@H]1CN(c2cnc3ccccc3n2)CCO1)N1CCCCC1 1888849698 NPSIZTJJCJPXHT-MRXNPFEDSA-N 326.400 1.848 0 40 EDAB Cc1cc(C)nc(N2C[C@H]3CN(c4ccc5nncn5n4)C[C@@H]3C2)n1 1888897227 VDPIHHSYMJUJCM-ZIAGYGMSSA-N 336.403 1.104 0 40 EDAB O=C(Nc1cccs1)N1Cc2cnc(N3CCOCC3)nc2C1 238863970 LIBVGYYQJNKMFA-UHFFFAOYSA-N 331.401 1.922 0 40 EDAB Cc1cnc(C)c(OC2CCN(CC(=O)NC[C@H]3CCCO3)CC2)n1 2087045946 BENYSXLMHXZXAD-MRXNPFEDSA-N 348.447 1.232 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]2O1 1565544979 VMUKIYFIAYZESC-FPMFFAJLSA-N 341.371 1.063 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 4941296 QCSXMTCUJAKJGN-HNNXBMFYSA-N 348.399 1.826 0 40 EDAB COc1cccc(C(=O)NCCS(=O)(=O)NCc2ccccc2)c1 5301947 YBQZTWSKZOQREQ-UHFFFAOYSA-N 348.424 1.545 0 40 EDAB O=C(NCc1cccnc1)C(=O)Nc1cccc(N2CCCC2=O)c1 10188508 YGZCVESCRBYNSL-UHFFFAOYSA-N 338.367 1.463 0 40 EDAB Cc1ncnc(N2CCN(c3ccc(=O)n(C(C)C)n3)CC2)c1C 2298028481 FRESIIUZFITBRT-UHFFFAOYSA-N 328.420 1.558 0 40 EDAB O=C(NCCNc1cc(Nc2ccccn2)ncn1)c1cnccn1 85472233 ZDUXSBVFAGSHJT-UHFFFAOYSA-N 336.359 1.247 0 40 EDAB O=C(OCc1ccccc1)C1=NN[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100165672 MINMHOUNGOUDNR-LSDHHAIUSA-N 349.346 1.247 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)Cn2c(C)cc(=O)n3ncnc23)c1 40498031 DYTBIPFMFAFTLP-AWEZNQCLSA-N 328.372 1.256 0 40 EDAB Cc1ccccc1CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 105885 RTOSGFHRWWYITC-UHFFFAOYSA-N 330.413 1.571 0 40 EDAB biogenic CCCOC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 100846364 PHKUSXBBVSULHF-NNFUDEMPSA-N 327.380 1.922 0 40 EDAB CC(C)c1noc(CCCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 40529986 IURLVNYJIQJTLQ-NSHDSACASA-N 329.422 1.161 0 40 EDAB COCc1nnc(NC(=O)CN2CC(=O)Oc3cc(C)ccc32)s1 31847107 PGIUCXJSTDIACW-UHFFFAOYSA-N 348.384 1.357 0 40 EDAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)c1ccc2c(c1)NC(=O)CO2 31819440 VBXUZEQMGPKFNZ-ZETCQYMHSA-N 345.384 1.335 0 40 EDAB CC(=O)CCc1ccc(OC[C@H](O)CN2C(=O)C[C@@H](C)C2=O)cc1 101456347 PDSDCSUJYDUZAO-IUODEOHRSA-N 333.384 1.343 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1=NN(C)C(=O)CC1 32210217 RSBATUBQRGBOJA-LBPRGKRZSA-N 340.387 1.395 0 40 EDAB COc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)ccc1C 32796899 DBUPFBYWCYGUAN-UHFFFAOYSA-N 326.418 1.111 0 40 EDAB CCc1noc([C@H](C)N2CCN(c3ncnc4c3cnn4C)CC2)n1 32760276 FSVHMOUOVYRYNQ-NSHDSACASA-N 342.407 1.192 0 40 EDAB CCNC(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 102633142 YHNQSVSQZMOXQA-GVARAGBVSA-N 328.368 1.898 0 40 EDAB Cc1ncsc1CNC(=O)NC1CCN(c2ncccn2)CC1 69632717 HQGLHJVZFZXBQM-UHFFFAOYSA-N 332.433 1.710 0 40 EDAB Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3CCCCNC3=O)cc2)co1 69654804 BKEVFMSWVIFVFB-AWEZNQCLSA-N 349.412 1.597 0 40 EDAB COc1ccc(-n2c(=O)[nH]c3cc(C(=O)O)ccc3c2=O)cc1OC 423063 XMFRGSKUWNWPAV-UHFFFAOYSA-N 342.307 1.394 0 40 EDAB Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)Nc1ccncc1 69631108 QACBXKHAQQGDQZ-UHFFFAOYSA-N 325.372 1.845 0 40 EDAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1n1cnnc1 2700801 BSDRCQGQIJQYFD-FOIPXRHGSA-N 342.358 1.806 0 40 EDAB CO[C@](C)(C(=O)N1CCO[C@H](c2nc(C)n[nH]2)C1)c1ccccc1 76045415 XRPIQOZXVSXNJQ-YOEHRIQHSA-N 330.388 1.575 0 40 EDAB COCCc1noc(CN2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)n1 78892854 GQYAJTBBQZJZTE-NSHDSACASA-N 336.396 1.074 0 40 EDAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(N)=O 3338832 JGGPRYOPSJKDNW-ZANVPECISA-N 326.780 1.513 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 4113221 YBEJXXWNZYLBEL-UHFFFAOYSA-N 335.337 1.957 0 40 EDAB O=C(COC(=O)CCC(=O)Nc1nccs1)NCc1ccco1 4399774 XJSQOUGTTMOHOP-UHFFFAOYSA-N 337.357 1.314 0 40 EDAB C[C@@H](C(=O)NCCCCN1CCOCC1)n1cnc2ccccc21 53450150 FAICGCHTQNKKIM-HNNXBMFYSA-N 330.432 1.826 0 40 EDAB NC(=O)[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1ccccc1 53944972 QNKUNTYBJYKTQV-QGZVFWFLSA-N 326.352 1.343 0 40 EDAB O=C1CN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CCN1 23419024 RHXAPXSBZZJHBI-UHFFFAOYSA-N 328.368 1.649 0 40 EDAB C[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)[C@@H](O)c1ccc(F)cc1 69778142 YWNFJRBRYQAKHJ-ZUZCIYMTSA-N 341.342 1.914 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1-n1cncn1 47122202 ILJRPZFDYSSWBP-LLVKDONJSA-N 346.391 1.192 0 40 EDAB COc1ccc(C[C@H]2CCCN2C(=O)[C@H]2CCS(=O)(=O)C2)cc1 55612585 CRYSBVLDKXIKJF-LSDHHAIUSA-N 337.441 1.663 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)c3cnc4n(c3=O)CCS4)C2)n1 56131254 KWRXHXSLEFJFTO-JTQLQIEISA-N 347.400 1.060 0 40 EDAB CCCCn1nc(C(=O)N2CCn3c(nnc3C(C)C)C2)ccc1=O 69771028 RGABDFGWSSZQMT-UHFFFAOYSA-N 344.419 1.414 0 40 EDAB CC[C@]1(C)NC(=O)N(NC(=O)CN[C@H](C)c2ccccc2F)C1=O 26872812 TXSSMCSDOUTYPM-HWPZZCPQSA-N 336.367 1.228 0 40 EDAB COCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 12599680 PJOLVQUZZNPZFH-BETUJISGSA-N 340.445 1.938 0 40 EDAB CS(=O)(=O)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 108526097 QGFPZFDLWZUOIQ-UHFFFAOYSA-N 337.445 1.246 0 40 EDAB CCn1c(=O)[nH]c2cc(C(=O)Nc3ncccc3OC)ccc2c1=O 58195282 AXWKJWSCNDKMTJ-UHFFFAOYSA-N 340.339 1.366 0 40 EDAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 44872455 WGWOOTCZTUHVLJ-NSHDSACASA-N 335.347 1.799 0 40 EDAB O=C(Cc1c(F)cccc1Cl)NCCn1nc2ccccn2c1=O 58244146 FUTXSNHQPCWNCS-UHFFFAOYSA-N 348.765 1.647 0 40 EDAB CC(C)[C@@H](C(=O)N1CCSCC1)N1C(=O)c2ccccc2C1=O 58281217 MQSHXTQGWJKOAB-AWEZNQCLSA-N 332.425 1.883 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)cc1 107198731 KXTRTHSPUKTMGI-DLBZAZTESA-N 338.411 1.677 0 40 EDAB O=C(NCCN1CCOCC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58332565 GVFBNIXOUFEIGB-QGZVFWFLSA-N 349.450 1.486 0 40 EDAB CC(C)NS(=O)(=O)c1cccc(C(=O)NCC(=O)OC(C)C)c1 58430502 QDKUOYKEHBIZQJ-UHFFFAOYSA-N 342.417 1.055 0 40 EDAB O=C(NCCn1ccnc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 45197153 RCBZZLQBYGDBKX-LBPRGKRZSA-N 332.791 1.706 0 40 EDAB CS(=O)(=O)NCCCNC(=O)c1cccc2c3c([nH]c12)CCCC3 45145640 WSZJFUKZNHZOAO-UHFFFAOYSA-N 349.456 1.716 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCN(Cc2ccncc2)CC1 58783709 QVHKGWFQQOCYBK-CQSZACIVSA-N 341.459 1.880 0 40 EDAB Cn1c(Cl)cnc1COC(=O)CCNC(=O)OCC(F)(F)F 62603147 HJGVNPOEZMUEAJ-UHFFFAOYSA-N 343.689 1.795 0 40 EDAB O=S(=O)(NCc1ccc(Cn2cncn2)cc1)c1ccccc1F 48236090 XOYNJPHINYXVLO-UHFFFAOYSA-N 346.387 1.944 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cncn3)nc2)c1 29109247 KULOBWXPMGBCRK-UHFFFAOYSA-N 343.368 1.318 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2ccccc2)C1=O 3369415 SDQKNHUMCLSYDU-UHFFFAOYSA-N 332.356 1.523 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)CCc1ccc2c(c1)OCO2 48344808 KHDQOIFATGZTEN-UHFFFAOYSA-N 328.372 1.544 0 40 EDAB NC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 18057202 ZVMDLEBDGMNXPD-KBPBESRZSA-N 343.383 1.289 0 40 EDAB Cc1cc(C(=O)N2CCN(C[C@H](C)O)CC2)c2c(C(C)C)noc2n1 69848118 PKSSFYUWABFPOW-ZDUSSCGKSA-N 346.431 1.793 0 40 EDAB CNC(=O)CCNC(=O)Cn1c(C)cc(-c2csc(C)n2)c1C 63778861 ZIYABGCNSQYZGC-UHFFFAOYSA-N 334.445 1.789 0 40 EDAB CN1CCO[C@@H](C(=O)N(C)Cc2cc(Br)cn2C)C1 96467258 VPKFUZCGCGWQPY-GFCCVEGCSA-N 330.226 1.077 0 40 EDAB CCOc1ncnc2c1CN([C@@H](C)C(=O)Nc1cc(C)on1)CC2 65466733 UQHSRTAUJOWALJ-NSHDSACASA-N 331.376 1.557 0 40 EDAB O=NN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1 4473026 HZIQITCKUOMBQU-UHFFFAOYSA-N 339.421 1.060 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)NCc2ccc(C)cc2)C1=O 14013984 AMZUGDLEGDGNBH-ZDUSSCGKSA-N 335.429 1.285 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2ccccn2)C(N)=O)cc1 65514815 INGVRAZJNFKBBN-CQSZACIVSA-N 327.384 1.554 0 40 EDAB CC(C)OC(=O)CNc1ncnc2c1c(Br)nn2C 65566566 GTXGZBMGHZXWKE-UHFFFAOYSA-N 328.170 1.489 0 40 EDAB Cn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cccnc1 14183635 TXWDJSWLWKESIW-GFCCVEGCSA-N 333.417 1.264 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](n3cccn3)C2)ccc1-n1cnnn1 65625397 MBWKZGNBSZLFAS-OAHLLOKOSA-N 337.387 1.645 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCC(C)(C)c1ccc2c(c1)OCO2 65607340 INFCUWHDVDAKRW-GXTWGEPZSA-N 346.427 1.971 0 40 EDAB C[C@@H](CNC(=O)NCCCc1cc(N)n(-c2ccccc2)n1)N(C)C 65609208 XWVZLXUTHBKTAM-AWEZNQCLSA-N 344.463 1.636 0 40 EDAB NC(=O)c1nn(CC(=O)NC2CCCCCC2)c(=O)c2ccccc12 6541794 FKDVDWHLWPFRKV-UHFFFAOYSA-N 342.399 1.334 0 40 EDAB COc1cc(/C=C/C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1O 4836113 MYBJTADYLRAMAC-YTDWTQRBSA-N 349.383 1.593 0 40 EDAB O=C(CSc1cccc[n+]1[O-])Nc1ccccc1C(=O)NC1CC1 7507513 YSZSAYDGCIUTOZ-UHFFFAOYSA-N 343.408 1.943 0 40 EDAB CCNC(=O)CN1CCN(C(=O)c2c[nH]c3c(CC)cccc23)CC1 69349099 SQAJRUNCNHIBLJ-UHFFFAOYSA-N 342.443 1.624 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 8379748 VUGXTWZYFIHFBD-RISCZKNCSA-N 342.848 1.829 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CCC(=O)NC3CCCC3)CC2)n1 69442839 AEYOVTIDFTTXBI-CYBMUJFWSA-N 335.452 1.506 0 40 EDAB COc1cccc(S(=O)(=O)CCN2CCC(CC(N)=O)CC2)c1 69569420 XJBKZSUFMIRWIB-UHFFFAOYSA-N 340.445 1.056 0 40 EDAB Cn1cc(CNC[C@@H]2CN(C3CC3)CCO2)c(-c2ccncc2)n1 69590310 BBXBPMOABDURDB-QGZVFWFLSA-N 327.432 1.435 0 40 EDAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)c1ncnc2c1cnn2C 69565635 QNRQTFLLRVVDPC-JTQLQIEISA-N 346.416 1.208 0 40 EDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1n[nH]c2nc(C)cc(C)c12 9421415 DQQXCPNAHDOWRA-LBPRGKRZSA-N 344.419 1.114 0 40 EDAB CN(CCNC(=O)CCNC(=O)c1ccccc1)C(=O)OC(C)(C)C 69601767 YXLUXDINHNQHPP-UHFFFAOYSA-N 349.431 1.790 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)OC 69622236 WDTDKCDGPJXQQQ-BDJLRTHQSA-N 338.379 1.188 0 40 EDAB OCc1nc2ccccc2n1C[C@@H](O)COc1ccc2c(c1)OCO2 71828310 HQSMOSBXHOWTGG-GFCCVEGCSA-N 342.351 1.697 0 40 EDAB CCCN1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1 71850318 RBZUIUINZJJPPM-UHFFFAOYSA-N 345.365 1.811 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)Nc1cccnc1N1CCOCC1 71833032 IECNIDUXQPJMAO-SNVBAGLBSA-N 333.310 1.824 0 40 EDAB CCO[C@H]1CCCN(C(=O)CCn2c(=O)n(C)c3ccccc32)C1 71825594 UANCGCSJXLNCEH-AWEZNQCLSA-N 331.416 1.758 0 40 EDAB C[C@@H]1C[C@H](N(C)[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)C(=O)O1 71870821 GCBBORBMPKSBQG-BNOWGMLFSA-N 334.420 1.547 0 40 EDAB C[C@@H](C(=O)NCc1cccs1)N1CCCC[C@@H]1Cn1cncn1 71876249 CERVTXFMZNKFCU-UONOGXRCSA-N 333.461 1.899 0 40 EDAB CCNC(=O)NC(=O)CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C 71907440 FVDFOUIOGORKTQ-INIZCTEOSA-N 344.456 1.361 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CCn1cc(C(F)(F)F)ccc1=O 71911279 FGOCIEVCUPTJAU-UHFFFAOYSA-N 343.305 1.732 0 40 EDAB Cc1n[nH]c([C@@H]2CN(Cc3noc(Cc4ccccc4)n3)CCO2)n1 72300105 RSCAYAOLWHWAKZ-AWEZNQCLSA-N 340.387 1.660 0 40 EDAB COC(=O)N[C@@H](C(=O)N1CC[C@H](CN(C)CC2CC2)C1)C(C)C 72307169 OOCKARLIWYVHNI-HUUCEWRRSA-N 325.453 1.557 0 40 EDAB COc1c([C@@H]2CCCN2c2ncnc3c2cnn3C)c(C)nn1C 84012459 MNCQDJSTLNKIQT-LBPRGKRZSA-N 327.392 1.755 0 40 EDAB CC(C)c1ccc(CN2CCN(C(=O)C3(O)CCOCC3)CC2)cc1 97096719 POOUDOLXCKCCSG-UHFFFAOYSA-N 346.471 1.996 0 40 EDAB COC[C@H](O)CN(C)C(=O)Cc1ccc(Br)cc1C 97048402 KGVFCDCPLUNLDO-CYBMUJFWSA-N 330.222 1.766 0 40 EDAB COC(=O)C1(N(C)C(=O)[C@@H](C)OC[C@@H]2CCCCO2)CCCC1 97020106 ASUPOXHYEDVVNC-KGLIPLIRSA-N 327.421 1.905 0 40 EDAB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H](n2cncn2)C1 72234998 IXIDOCLDVCCBNM-PMPSAXMXSA-N 336.436 1.662 0 40 EDAB C[C@@H]1CN([C@@H](CNc2ccc3nnnn3n2)c2cccs2)CCO1 72276397 GTDJZTDDXSDIPH-NEPJUHHUSA-N 345.432 1.455 0 40 EDAB CC1CCN(C[C@H](O)CN2CCN(c3nccs3)[C@H](C)C2)CC1 95373344 OVIIRCVZMDBWLB-CVEARBPZSA-N 338.521 1.746 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCS(=O)(=O)c1ccc(Br)cc1 95394953 MNCCHICOLURGDN-CABZTGNLSA-N 346.246 1.995 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NCCCn1ccnc1 95397284 XBAVMVIYIKQHFK-OAHLLOKOSA-N 329.404 1.239 0 40 EDAB COc1cccc(COCC(=O)NC2(CC(=O)O)CCOCC2)c1 95424852 IOMCBMLTSWNNJU-UHFFFAOYSA-N 337.372 1.352 0 40 EDAB Cc1cc(CC(=O)N2CCN([C@@H]3CCCN(C(C)C)C3=O)CC2)no1 95998249 WZXULEDQFMGGGD-MRXNPFEDSA-N 348.447 1.069 0 40 EDAB NC1(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CCCC1 95971698 NCCNXXKXFHWIPD-UHFFFAOYSA-N 337.445 1.131 0 40 EDAB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)cc2)NC1=S 409088225 WFVLGYBMXRVINY-LCYFTJDESA-N 334.397 1.706 0 40 EDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCC(C)C)cc1 408596153 RJUJUUHVPADUSS-LBPRGKRZSA-N 328.434 1.524 0 40 EDAB CN1CCO[C@@H](C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)C1 89382913 KRNMPHOBVCAATL-CYBMUJFWSA-N 332.322 1.874 0 40 EDAB CN1CCC(O)(CNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CC1 89375171 JSXBDFQBSQMLRK-FXAWDEMLSA-N 328.456 1.854 0 40 EDAB CC(C)c1ccc([S@@](=O)CC(=O)N2CCC[C@H](C(N)=O)C2)cc1 89893437 WMNPDAZVRATHMN-LFVRLGFBSA-N 336.457 1.642 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 408736400 BPVIASGOKGBBOC-HIFRSBDPSA-N 327.340 1.654 0 40 EDAB O=C(N1CCCC1)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 306132350 LGEOXJMJIJZHCD-AWEZNQCLSA-N 331.420 1.585 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@]2(N)CO)cc1 218561084 QHWBIMUMVFPTSP-ZACQAIPSSA-N 335.400 1.764 0 40 EDAB O=C(NS(=O)(=O)c1cnccn1)C1(c2ccc(Cl)cc2)CC1 152405298 UQZBIWIOEPGQJV-UHFFFAOYSA-N 337.788 1.667 0 40 EDAB CCOC(=O)c1cc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)[nH]c1C 556145776 QRVXZVPCGKDUFR-TZMCWYRMSA-N 342.461 1.945 0 40 EDAB COc1ccccc1CNC(=O)CN1CC[C@@H](c2n[nH]c(C)n2)C1 567219538 VOKMFXWCGQVZEZ-CQSZACIVSA-N 329.404 1.227 0 40 EDAB Cc1cc(=O)[nH]c2cc(Cl)c(S(=O)(=O)N3CCOCC3)cc12 217435948 UADYVCRTRXYKDJ-UHFFFAOYSA-N 342.804 1.511 0 40 EDAB CCc1nc([C@@H]2CCCN2Cc2cc(=O)n3nc(C)sc3n2)no1 75573216 SYLRTCRWGQCWPK-NSHDSACASA-N 346.416 1.742 0 40 EDAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(C(=O)CN)C3)n2)n1 72382965 UTMQPCORJFHKHM-AWEZNQCLSA-N 340.431 1.897 0 40 EDAB NCC(=O)N1CCC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 79412603 HHWIJSPNJKTMSV-MRXNPFEDSA-N 345.443 1.985 0 40 EDAB COc1cccc(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c1 49482881 WJUXHBLXANZCOD-UHFFFAOYSA-N 337.339 1.775 0 40 EDAB COC(=O)C[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340208 MMUMROJPLZJRGC-ZRGWGRIASA-N 345.395 1.715 0 40 EDAB COc1ccccc1C1=NO[C@](C)(C(=O)NCCCn2cccn2)C1 222283404 YPFQCBMBUOVGKL-SFHVURJKSA-N 342.399 1.981 0 40 EDAB CCc1noc(-c2cc(Cl)ccc2NC(=O)Cn2cnnn2)n1 84577345 IUMZMMZECOIPTF-UHFFFAOYSA-N 333.739 1.578 0 40 EDAB S=C(NCCN1CCN(c2ncccn2)CC1)NC1CCCC1 225218698 CAAUZRVXEDFRKI-UHFFFAOYSA-N 334.493 1.005 0 40 EDAB COc1ccc2[nH]cc(CC(=O)N3CCC(NC(N)=O)CC3)c2c1 81780510 NNCQLDJGIBRQEM-UHFFFAOYSA-N 330.388 1.378 0 40 EDAB CCc1onc(C)c1C(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 575446922 CSTWTQJTMIRVSJ-GFCCVEGCSA-N 345.403 1.935 0 40 EDAB CS(=O)(=O)NCc1ccc(C(=O)N2CCc3ccccc3CC2)o1 84765938 PYNFTZUVKUZBRV-UHFFFAOYSA-N 348.424 1.570 0 40 EDAB CCN(CC)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 42629701 SVQSNYQFXPLQMP-UHFFFAOYSA-N 349.250 1.596 0 40 EDAB O=S(=O)(CCN1CCCC1)N1CCCC[C@@H](N2CCCC2)C1 192621296 LWJBPAGSNLWBRE-MRXNPFEDSA-N 329.510 1.362 0 40 EDAB CC1(C)NC(=O)N(CCCN2CCO[C@H](c3nccs3)C2)C1=O 97199938 RJCVDDKEXZPPAD-NSHDSACASA-N 338.433 1.237 0 40 EDAB O=C(C[C@@H]1OC[C@H]2CN(C3CCOCC3)CC[C@@H]12)Nc1cccnc1 96207420 ZVNACQAUJJCODB-OLMNPRSZSA-N 345.443 1.926 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)c2onc(C)c2C(=O)O)cc1 96297058 BTRZZKBPBNPODY-SECBINFHSA-N 340.357 1.729 0 40 EDAB biogenic,in-vitro C[C@H](CS(C)(=O)=O)NC(=O)c1c(F)cccc1Br 96454346 WKHPKGIZMXMYFZ-SSDOTTSWSA-N 338.198 1.751 0 40 EDAB O=C1C[C@@H]2[C@H](CCN2S(=O)(=O)c2cccs2)N1c1cccnc1 96184107 ZXIGSYPHRCVUCL-QWHCGFSZSA-N 349.437 1.712 0 40 EDAB CNC(=O)[C@@H]1CCCN(C(=O)NCCC2Cc3ccccc3C2)C1 95440860 VUVZAMKBYNYRCY-QGZVFWFLSA-N 329.444 1.959 0 40 EDAB Cc1cnc(C(=O)N2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)cn1 96107998 DVHMFPXHYASVEV-FUHWJXTLSA-N 344.459 1.748 0 40 EDAB Cn1cc(N2CC3(CCN(Cc4ccco4)CC3)OCC2=O)cn1 96201445 IHFHULOMHQAPBT-UHFFFAOYSA-N 330.388 1.411 0 40 EDAB c1cnc(N2CCOC[C@@]3(CCCN(Cc4ccncc4)C3)C2)nc1 96049524 BDPXSCBTNCWHFU-LJQANCHMSA-N 339.443 1.991 0 40 EDAB C/C=C1/CN2[C@@H]3Cc4c([nH]c5ccc(O)cc45)[C@@]2(O)C[C@@H]1[C@H]3CO 1077996487 FNKZQZYHQGWZAE-BROCBORPSA-N 326.396 1.834 0 40 EDAB biogenic CC(C)c1n[nH]c(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)n1 95474240 PDECUYAUVRTGPJ-UHFFFAOYSA-N 338.371 1.791 0 40 EDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(CC1CC1)C2 96050201 ZMTQZWHLUQAROK-SFHVURJKSA-N 328.416 1.131 0 40 EDAB O=C1OCCN1CCS(=O)(=O)c1cccc(Br)c1 96403780 JYRWQXOKEOLMOR-UHFFFAOYSA-N 334.191 1.675 0 40 EDAB O=c1ccc2c(n1CCn1cccn1)CC[C@H](NC1CCOCC1)C2 96189802 VGBKXFBQRODEHM-KRWDZBQOSA-N 342.443 1.371 0 40 EDAB Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(C(=O)C1CC1)CCO2 96226724 AQCKMOIDKXGPBO-GOSISDBHSA-N 333.432 1.895 0 40 EDAB CS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2cc[nH]n2)o1 331390119 JMLCKXKHJHTRTH-LBPRGKRZSA-N 338.389 1.029 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2cccnc2)[C@H]1Cc1ccncc1 247496099 CYUSNFHYVWOXNP-SJORKVTESA-N 346.456 1.211 0 40 EDAB O=C(C1CCC1)N1C[C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1 257341738 ZLTRZAWCRULPFM-HZPDHXFCSA-N 332.375 1.564 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1OC 257206095 BBVCBOBXAXGEDP-QAPCUYQASA-N 346.427 1.854 0 40 EDAB OC[C@@H](O)CNCc1cc(Br)sc1Br 585118366 LXWNOHKVZMOSQQ-LURJTMIESA-N 345.056 1.716 0 40 EDAB CCc1nc(O)sc1S(=O)(=O)N[C@@H](C)Cc1c(C)noc1C 585115606 JSSBWJWNIOGZSB-ZETCQYMHSA-N 345.446 1.925 0 40 EDAB Cc1cc(-c2ccnn2C)nc(CC2CCN(S(C)(=O)=O)CC2)n1 257249777 JJSDRVDNVNYQPA-UHFFFAOYSA-N 349.460 1.400 0 40 EDAB Cc1c[nH]c([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCO2)n1 257336674 YPMRJJWFJRKEJD-ZDUSSCGKSA-N 325.365 1.619 0 40 EDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)c2cnccn2)C3)n1 253478072 JAEPQSYUVFGUMK-ZDUSSCGKSA-N 341.371 1.028 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CCO1 257218293 DCOJXRGPXVNIDU-ZDUSSCGKSA-N 342.403 1.334 0 40 EDAB CN(C[C@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1cn(C)cn1 257247038 IXCXKHGUJBRUGO-QGZVFWFLSA-N 347.394 1.058 0 40 EDAB CN(C)Cc1cnc(CC2CCN(Cc3ccnn3C)CC2)cn1 257266834 MESOFQPYQGPWGX-UHFFFAOYSA-N 328.464 1.726 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1c1cc(C)ncn1 253477243 DRUYRZUBJYLOAI-INIZCTEOSA-N 325.416 1.222 0 40 EDAB Cc1c(C(=O)N2CC(O)(C(F)F)C2)nnn1-c1ccc(F)cc1 1615045701 ZEEAQIDLZYUIDO-UHFFFAOYSA-N 326.278 1.167 0 40 EDAB CC[C@H]1OC2(CCN(C(=O)c3cccnc3NC(C)C)CC2)NC1=O 1615588972 DTMVTPCVDTVSFW-CQSZACIVSA-N 346.431 1.759 0 40 EDAB CN1CCN(C(=O)[C@H]2NCCOc3ccccc32)Cc2cccnc21 1615549502 WFLAEALLKSJODX-KRWDZBQOSA-N 338.411 1.583 0 40 EDAB COc1cc([C@H](C)NC(=O)c2ocnc2C)ccc1S(C)(=O)=O 1615616335 YICHFGQMNIATCO-VIFPVBQESA-N 338.385 1.886 0 40 EDAB CS(=O)(=O)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 96103389 ZJOJIDYXJBWHPT-HWKANZROSA-N 337.397 1.464 0 40 EDAB CCN(C(=S)Nc1ccc(C)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 575419975 BYRNCQKRWQBMCI-STQMWFEESA-N 328.459 1.172 0 40 EDAB CCN(C(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1 575607101 AIDXUEPFBXBUCP-UHFFFAOYSA-N 349.398 1.547 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)Cc2cccc(Br)c2)[C@@H]1O 585292126 YOCSBTDDNXXDAY-MCIONIFRSA-N 330.222 1.656 0 40 EDAB CCCn1cc(C(=O)N2CC[C@](O)(COc3ccccc3)C2)cn1 585276484 MBISOQRUDNJSPV-GOSISDBHSA-N 329.400 1.949 0 40 EDAB Cn1nccc1/C=C/C(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 585290368 VGZHCDPDBWDKLB-ZERCDLRSSA-N 341.411 1.864 0 40 EDAB Cc1occc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCOCC1 585097191 ILVGJPDIDIEKDM-OAHLLOKOSA-N 344.415 1.531 0 40 EDAB CC(C)CNC[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O 585290375 QQDUMUFWMIGFJA-WBVHZDCISA-N 340.851 1.062 0 40 EDAB CNC(=O)C1CCC(NC(=O)NCCc2ccccc2OC)CC1 63330166 XQFPDVVRQGDYCZ-UHFFFAOYSA-N 333.432 1.842 0 40 EDAB CN1C[C@H](NC(=O)c2cccc(I)c2)CC1=O 69653369 AGYGQTIMSPIGIS-SNVBAGLBSA-N 344.152 1.252 0 40 EDAB Cn1cc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c2ccccc21 49581341 DSODSZCKEIDEQC-CYBMUJFWSA-N 332.425 1.970 0 40 EDAB Cc1ccccc1CCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 84695320 LZBKPZGANLADOZ-ROUUACIJSA-N 336.501 1.779 0 40 EDAB CC1CCN(c2ccc(C(=O)NCCS(C)(=O)=O)cn2)CC1 72288354 CLEAQGXCBUHGEE-UHFFFAOYSA-N 325.434 1.092 0 40 EDAB C[S@](=O)c1nncn1Cc1cc(=O)oc2cc3c(cc12)CCC3 72280976 UHJUCDLHWVSSJH-HSZRJFAPSA-N 329.381 1.659 0 40 EDAB NC(=O)CNC(=O)c1coc(-c2ccc(Br)cc2F)n1 95994734 XWDNOLDPPFWZCE-UHFFFAOYSA-N 342.124 1.458 0 40 EDAB Cn1nc(C2CCN(CC(=O)OC(C)(C)C)CC2)n(C2CC2)c1=O 77154290 YQPLUJCSWDSEAM-UHFFFAOYSA-N 336.436 1.438 0 40 EDAB CN(C)C(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 7309340 DCOBEIIZVIZTQB-UHFFFAOYSA-N 325.217 1.702 0 40 EDAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)n[nH]c1N 5728095 WNGPMKTXSJBNPJ-UHFFFAOYSA-N 344.780 1.623 0 40 EDAB O=C(CN1CCC(NC(=O)c2cnccn2)CC1)Nc1ccccc1 11525867 DKCSQFKBBBKIJZ-UHFFFAOYSA-N 339.399 1.310 0 40 EDAB Cc1c(-c2cc(C(F)F)n3nc(CCC(=O)O)nc3n2)cnn1C 12399126 HGWKKDZZLNWRMM-UHFFFAOYSA-N 336.302 1.788 0 40 EDAB C[C@H](NC(=O)[C@@H](C)OC(=O)C1CCN(C(N)=O)CC1)c1ccccc1 12824816 YJSXQDXAHWETOF-QWHCGFSZSA-N 347.415 1.586 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 19345408 UIXYUDOBNOSQJZ-INIZCTEOSA-N 327.384 1.808 0 40 EDAB Cc1c(C(N)=O)sc2ncn(CC(=O)c3cccs3)c(=O)c12 2614114 XGYZNWNGNZAUKZ-UHFFFAOYSA-N 333.394 1.810 0 40 EDAB O=C(Nc1cccnc1)[C@]1(F)CCN(c2ncnc3n[nH]cc23)C1 1888914190 LYRRLVCXLVKYOY-HNNXBMFYSA-N 327.323 1.305 0 40 EDAB Cc1cccc(CO[C@H]2CN(C(=O)C3CC(O)C3)[C@@H]3CCCO[C@H]23)n1 1565550214 UUCYIIHNDWYTSW-HELJDXQESA-N 346.427 1.436 0 40 EDAB CC1CC(C(=O)N2CC[C@H]3CN(C4CCOCC4)CCO[C@@H]3C2)C1 1565547851 SQXJZFQBDKUYEU-VLWBHCEFSA-N 336.476 1.761 0 40 EDAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2NS(C)(=O)=O)cc1 1441651 PJWYNIUPIPOBMF-OAHLLOKOSA-N 347.396 1.726 0 40 EDAB O=C(N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1)c1ccncc1 2055738808 SDYQYRGCSURYGI-CYBMUJFWSA-N 340.383 1.593 0 40 EDAB CNC(=O)C(=O)NC[C@H](c1cccc2ccccc12)N1CCOCC1 23107709 FKQWWXHCASEPIT-QGZVFWFLSA-N 341.411 1.075 0 40 EDAB CS(=O)(=O)c1ccc2nc(NC(=O)Cn3cccn3)sc2c1 38490513 DPUDVWDXINTDDM-UHFFFAOYSA-N 336.398 1.535 0 40 EDAB COc1cccc(S(=O)(=O)N2CC[C@@H](Oc3ccnc(C)n3)C2)c1 575614121 WXYNMYHUNABFPI-CQSZACIVSA-N 349.412 1.636 0 40 EDAB C[C@H](C(=O)NCc1nc2ccccc2[nH]1)n1nc2c(cc1=O)CCC2 575621002 UPUSBCIDBGFODR-LLVKDONJSA-N 337.383 1.486 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CC[C@@H](Oc3cnsn3)C2)cc1 618257386 VLKNXLCCSAFIHL-CYBMUJFWSA-N 332.385 1.790 0 40 EDAB O=C(NCC[C@@H](O)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 85436520 WFUSEYHHTSJWSA-CQSZACIVSA-N 342.351 1.594 0 40 EDAB O=C(Cn1ccccc1=O)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 32818377 IOFQUMXCCDDHKN-NWDGAFQWSA-N 332.322 1.855 0 40 EDAB O=C(Nc1nncs1)c1cccc(CN2C(=O)CSC2=O)c1 30611495 XKGNBHBIQIFQGH-UHFFFAOYSA-N 334.382 1.986 0 40 EDAB Cc1nc2ccccc2nc1CN1C(=O)N[C@]2(CCSC2)C1=O 40457386 CKTDJVFHXGDONW-INIZCTEOSA-N 328.397 1.866 0 40 EDAB COc1cc(C(=O)N[C@H](C)c2ccc(C)o2)ccc1OCC(N)=O 40466622 ZOUDMESTNQXSTE-LLVKDONJSA-N 332.356 1.952 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1cccnc1 40477292 YBWJIQDSRBNTOT-NSHDSACASA-N 334.401 1.954 0 40 EDAB COc1cccc(CNC(=O)c2cnc3n(c2=O)CCS3)c1OC 40498900 SGJBBRZUAZPJFR-UHFFFAOYSA-N 347.396 1.296 0 40 EDAB CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@@H](C)C(=O)NC(=O)NCC)C1 51055536 DDXYWUPKTKWCET-MELADBBJSA-N 340.468 1.237 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2cnn(C)c2-n2cccc2)C[C@@H](C)O1 40521158 CBEKEBFDTZFAJE-ZIAGYGMSSA-N 331.420 1.050 0 40 EDAB O=C(NC[C@@H]1CCCO1)NCC1(N2CCSCC2)CCCC1 40539905 UJLTUASHFPZHHJ-AWEZNQCLSA-N 327.494 1.826 0 40 EDAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O 40554166 IFAJQHXODGFOFB-LBPRGKRZSA-N 331.372 1.268 0 40 EDAB COCCCNC(=O)c1cn(-c2cccc(Br)c2)nn1 40510354 ZBDNCZYTMNPQFN-UHFFFAOYSA-N 339.193 1.796 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)NCc2cccnc2N(C)C)c1 32437952 YQRVIEZBFGTROD-UHFFFAOYSA-N 333.413 1.829 0 40 EDAB CCCCOc1ccc(S(=O)(=O)N(CCO)CCO)cc1C 41096556 JVYUWSYYZYQNBQ-UHFFFAOYSA-N 331.434 1.149 0 40 EDAB COc1ccc(CN(C(=O)CCN2C(=O)CCC2=O)C2CC2)cc1 32748094 ATSAUIBIKQTPAA-UHFFFAOYSA-N 330.384 1.725 0 40 EDAB COc1ccc(C(=O)C2CCN(C(=O)CCn3cncn3)CC2)cc1 32898891 SRSSRYALTRTUIK-UHFFFAOYSA-N 342.399 1.798 0 40 EDAB O=C(Nc1cccc2cn[nH]c12)[C@H]1CC(=O)N(CC(F)(F)F)C1 32816532 QEPKJTYXGIGXRV-VIFPVBQESA-N 326.278 1.912 0 40 EDAB Cc1ccccc1-c1noc(C[S@@](=O)CC(=O)N2CCOCC2)n1 32801542 BNJVEBUMGLRWNU-DEOSSOPVSA-N 349.412 1.153 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 32910770 OMJFHFLKMDAVMQ-FMKPAKJESA-N 343.427 1.939 0 40 EDAB O=C1C[C@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CN1CC1CC1 46355452 FBPLNWMYYJODQI-RDJZCZTQSA-N 346.402 1.984 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1 69902212 BQBIOROHQMXVIC-CYBMUJFWSA-N 348.834 1.664 0 40 EDAB COc1ccc(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1 328978 GBGJEXHPLOKYSS-UHFFFAOYSA-N 340.445 1.720 0 40 EDAB O=C(NCC(=O)N1CCOCC1)c1cccc(Br)c1 8749226 QOHLNDPMBKDUAL-UHFFFAOYSA-N 327.178 1.038 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 71881828 BNBAAHXBECJUFQ-GOSISDBHSA-N 342.443 1.460 0 40 EDAB Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 3866075 VGDNTYWCSGTKDA-QWHCGFSZSA-N 345.424 1.239 0 40 EDAB CCn1c(=O)c2sccc2n(CC(=O)N2CCC[C@@H](C)C2)c1=O 6679001 YCCVCNHYQJFNAS-LLVKDONJSA-N 335.429 1.503 0 40 EDAB COC(=O)Cc1cc(O)nc(S[C@H](C)C(=O)NC2CCCC2)n1 7047925 VSCCJXMXKDPRLB-SECBINFHSA-N 339.417 1.437 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C1 53894805 DYVSAOAVBMGEII-GFCCVEGCSA-N 336.823 1.285 0 40 EDAB O=C(NCCCN1C(=O)CCC1=O)N[C@H]1CCCOc2ccccc21 71879844 AZOLLLPSUNQTOH-AWEZNQCLSA-N 345.399 1.739 0 40 EDAB COc1cccc(CNS(=O)(=O)c2ccsc2C(=O)O)c1 37417025 BWHMTGMLLWGWCN-UHFFFAOYSA-N 327.383 1.933 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCNC[C@H]2C)c(Br)c1 54371254 NKSZGSNVOUOJCI-SNVBAGLBSA-N 333.251 1.740 0 40 EDAB NC(=O)[C@H]1c2ccccc2CCN1[C@@H]1CCN(CC(F)(F)F)C1=O 71897126 ITGOWPCRINZAFX-CHWSQXEVSA-N 341.333 1.234 0 40 EDAB CC(C)[C@@H]1NC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O 23640338 OUPWFHWGOJCBFE-HNNXBMFYSA-N 334.395 1.482 0 40 EDAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCOCC1 54546171 CNSHMARNCFSWOT-OAHLLOKOSA-N 332.400 1.549 0 40 EDAB CN(CCOc1ccc2c(c1)CCC(=O)N2)[C@H]1CCCCNC1=O 105611582 DWMUXWMXUBJQSV-INIZCTEOSA-N 331.416 1.551 0 40 EDAB O=C(CCN1CCN(C(=O)C2CC2)CC1)NCc1ccccc1Cl 24595637 ISDHGSZUPCIMOF-UHFFFAOYSA-N 349.862 1.901 0 40 EDAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 24801104 RECIUMMHRWVRQZ-GFCCVEGCSA-N 338.404 1.803 0 40 EDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3ccco3)CC2)C1 108534770 LMQVWCBIJZXOEB-CYBMUJFWSA-N 328.434 1.342 0 40 EDAB C[C@@]1(C(=O)N2CCC3(CC2)OCCO3)Cc2ccccc2C(=O)O1 24998369 HEDANLNLRHIOFV-KRWDZBQOSA-N 331.368 1.524 0 40 EDAB O=C(NCCc1ccccn1)c1ccc(CN2C(=O)CNC2=O)cc1 24929674 HBOITPNDRVUZPW-UHFFFAOYSA-N 338.367 1.106 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCCn1ccnc1 43310568 NWCGVUBPQJOWIB-CQSZACIVSA-N 330.388 1.755 0 40 EDAB Cc1cc(C)n(CCCNC(=O)c2ccc3c(c2)OCC(=O)N3)n1 25171343 REYZHQGMRUUXPY-UHFFFAOYSA-N 328.372 1.651 0 40 EDAB Cn1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)c(=O)n(C)c1=O 25251533 NYMVDVMUVXGVDM-BQYQJAHWSA-N 337.335 1.501 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCN(C(=O)c2ccoc2)CC1 25238680 WHQNTPOBRGWLDY-UHFFFAOYSA-N 331.372 1.802 0 40 EDAB CCn1cc(NC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 43645835 YYEVLRUXIWCKCH-SNVBAGLBSA-N 337.405 1.433 0 40 EDAB CCN(CC)[C@H](CNc1ccc2nnnn2n1)Cc1ccccc1 43766062 DKLWYWKBYJPQRG-HNNXBMFYSA-N 325.420 1.884 0 40 EDAB Cn1cc(CCNC(=O)N2CCN(C(=O)c3ccsc3)CC2)cn1 56877023 JKWURDIKYIPZIK-UHFFFAOYSA-N 347.444 1.192 0 40 EDAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CCN(S(=O)(=O)C2CC2)CC1 107513199 JIWXTNZYFIKRFM-IHRRRGAJSA-N 340.489 1.886 0 40 EDAB NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 3299615 YFGWHAVRQBYGHD-UHFFFAOYSA-N 327.340 1.465 0 40 EDAB C[C@H](NC(=O)CN(C)C[C@@H]1CCCN1c1cccnn1)c1ccco1 71859978 ZBMHVJINEAZPGR-GJZGRUSLSA-N 343.431 1.848 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(Cc2nc(-c3ccco3)no2)C1=O 44123327 NZRWWEYHLXZVCY-HNNXBMFYSA-N 328.284 1.890 0 40 EDAB O=S(=O)([C@H]1CCOC1)N1CCCN(CC2CCCCC2)CC1 108082415 VZSWKMJRSDFJLW-INIZCTEOSA-N 330.494 1.693 0 40 EDAB COc1ccc(CCN2CCN(C(=O)c3cnccn3)CC2)cc1 71836612 MJOGIRZKMKLYEV-UHFFFAOYSA-N 326.400 1.486 0 40 EDAB C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc([S@](C)=O)cc1 108461208 UIXBMWGHNVUKCC-PJTAIMHYSA-N 346.456 1.614 0 40 EDAB O=C(NCCN1CCN(Cc2nc(C3CC3)no2)CC1)c1ccco1 27284458 NWOBZXWVMIMDMT-UHFFFAOYSA-N 345.403 1.088 0 40 EDAB CC(=O)N1CCCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 48285600 YBMOUDVRTZPNDB-UHFFFAOYSA-N 341.415 1.636 0 40 EDAB O=C1NCCN(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 58208832 AVCPBHUUAQXNFR-HNNXBMFYSA-N 334.372 1.688 0 40 EDAB CCOc1cccc(CNC(=O)N2CCN(c3ncccn3)CC2)c1 44968677 HUUGXNAKVBYHRI-UHFFFAOYSA-N 341.415 1.907 0 40 EDAB NC(=O)c1cnc(NCc2ccc(N3CCOCC3)nc2)c(Cl)c1 44972262 ZVRYATNSNJCPCC-UHFFFAOYSA-N 347.806 1.678 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)N[C@](C)(c2c(F)cccc2F)C1=O 44944297 DHHRSOQLAQZQJH-QGZVFWFLSA-N 347.321 1.953 0 40 EDAB O=C(CCN1CCSC1=O)NCc1cccnc1-n1cccn1 44918793 VOFCKDVNSHPAMI-UHFFFAOYSA-N 331.401 1.442 0 40 EDAB COCCC(=O)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 100753029 JVFHOLDZVNWCHX-STQMWFEESA-N 327.384 1.349 0 40 EDAB COC(=O)C1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 3338019 CYRZQUGALHWIDQ-UHFFFAOYSA-N 335.429 1.986 0 40 EDAB NC(=O)CCN(C(=O)CN1CCc2ccccc2C1)c1ccccc1 36386318 XYGZWIOTTMQFQG-UHFFFAOYSA-N 337.423 1.953 0 40 EDAB CC(C)C[C@H](NC(=O)Cn1nc(-c2ccco2)ccc1=O)C(=O)O 61717944 PUSUCABRYPGDGJ-LBPRGKRZSA-N 333.344 1.119 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)N(C)Cc2cc3ccccc3o2)C1 83881665 NIJFNNKQTOGARB-OAHLLOKOSA-N 330.432 1.820 0 40 EDAB C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)NCC(F)(F)F 10965253 AWBXYEGFBVSQBV-MRVPVSSYSA-N 331.323 1.821 0 40 EDAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(CC(=O)N(C)C)CC1 28729709 XOIPJXALTSXHTP-CQSZACIVSA-N 342.443 1.445 0 40 EDAB Cc1cccnc1CN(Cc1ccco1)[C@@H]1CS(=O)(=O)C[C@H]1O 110705732 VLFWNJSDTWKSKC-HZPDHXFCSA-N 336.413 1.143 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)[C@H]2Cc3ccccc3O2)cc1F 12769214 KVHXNAMKSATLFS-QGZVFWFLSA-N 342.370 1.984 0 40 EDAB CCOc1ccc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 8704355 CNSRLWHPGSGOAO-LLVKDONJSA-N 329.443 1.481 0 40 EDAB Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H](C(N)=O)C2)CC1 45756846 GXMDZGGSNNBFMC-INIZCTEOSA-N 344.459 1.476 0 40 EDAB COC(=O)c1ccc(CNC(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 29122898 OQUUDNNJQUIIAK-MJBXVCDLSA-N 334.416 1.587 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 29207708 DLHPJKDENAVZEL-MRZGDXHCSA-N 342.848 1.893 0 40 EDAB NC(=O)c1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 3422151 GTYPJYWETDSYIX-UHFFFAOYSA-N 331.759 1.807 0 40 EDAB Cc1ccc(-c2noc(CCC(=O)N[C@H]3CCN(C)C3=O)n2)cc1F 71915395 JWNFDJGMBMUNBD-ZDUSSCGKSA-N 346.362 1.464 0 40 EDAB COCCN1CCCN(C(=O)c2cccnc2N2CCCC2)CC1 48427184 YVNIKTSEWPJQKF-UHFFFAOYSA-N 332.448 1.476 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)Cn1nnc2ccccc2c1=O 12984677 CDXBKUSJXBMVNJ-UHFFFAOYSA-N 338.367 1.652 0 40 EDAB O=C1CC2(CCCCC2)C(=O)N1Cc1nnnn1-c1ccccc1 8883127 WYHQNNAXOMLDHW-UHFFFAOYSA-N 325.372 1.872 0 40 EDAB O=c1c2cnc(NC3CC3)nc2nc(O)n1-c1ccc2c(c1)OCO2 67263490 FTEHHQYGIMIFKD-UHFFFAOYSA-N 339.311 1.184 0 40 EDAB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(c3ccccn3)CC1)CS2 49934830 MIOBTANBGLLLPO-SUMWQHHRSA-N 346.456 1.184 0 40 EDAB CCOC(=O)C[C@@H](c1ccccc1OC)c1oc(CO)cc(=O)c1O 71283520 JHIDRFBJWIJKBS-ZDUSSCGKSA-N 348.351 1.931 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)o1 65444479 OYWQOQSYIJVHCV-CHWSQXEVSA-N 343.449 1.762 0 40 EDAB COc1ccc2nnc(CCC(=O)Nc3nnc(C4CC4)s3)n2n1 71284004 HDADWUUZLXAVLR-UHFFFAOYSA-N 345.388 1.433 0 40 EDAB C[C@@H](NC(C)(C)CNS(=O)(=O)N1CCOCC1)c1ccccc1 65565895 REWJUMRZSBMUGN-CQSZACIVSA-N 341.477 1.282 0 40 EDAB O=C(NCC(=O)N1CCO[C@@H](c2ccccc2)C1)OCC(F)(F)F 65515583 RGDDGIZJQIDQKO-GFCCVEGCSA-N 346.305 1.875 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 25105914 DDZMBISBIWCVPF-OAHLLOKOSA-N 338.429 1.135 0 40 EDAB Cc1ccc(CN(C)C(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)o1 14183410 OBSUGSXSHKQLBI-HUUCEWRRSA-N 330.384 1.888 0 40 EDAB CN1CCN(CCNC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)CC1 65625810 NPBJIWRAHPWCGF-UHFFFAOYSA-N 346.475 1.192 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCc1nnc2ccccn12 5488887 VVZCRITXOKTYHR-FNORWQNLSA-N 336.351 1.830 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H]4CNC(=O)[C@@H]4CC[C@H]3C2)cc1 96058476 SXELEJLCKASJBN-XZDPQHSOSA-N 334.441 1.388 0 40 EDAB in-vitro O=C(NCCCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1F 23972952 PEBMAKMVISPEHB-UHFFFAOYSA-N 343.786 1.256 0 40 EDAB CCc1nnc(Sc2c(N)cc(C(=O)OC)cc2Cl)n1N 70462535 YSBNEOQHQNIXEQ-UHFFFAOYSA-N 327.797 1.728 0 40 EDAB CC[C@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 19796875 MXWKTQROAYRTIM-UBHSHLNASA-N 331.459 1.014 0 40 EDAB CC(C)CNc1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)s1 7250063 UFFQICDTOXPBPY-MRVPVSSYSA-N 331.467 1.918 0 40 EDAB CCOC(=O)C1CCN(Cn2nnc(-c3cccc(OC)c3)n2)CC1 9315007 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Cc1nc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)sc1C 69375983 NZPZSVJYQCXJJP-CYBMUJFWSA-N 335.433 1.296 0 40 EDAB Oc1nncc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1Cl 96469755 QPBRSPHAXCCKHM-GJZGRUSLSA-N 346.818 1.925 0 40 EDAB COc1ccc(F)cc1CSCC(=O)N1CCCC[C@H]1C(N)=O 96403356 VWCDZINGPHXOMQ-ZDUSSCGKSA-N 340.420 1.934 0 40 EDAB COC(=O)CN(Cc1ccccc1C)C(=O)CCCNC(=O)C1CC1 69454474 HYSSPCINABADIS-UHFFFAOYSA-N 346.427 1.803 0 40 EDAB CCCc1cc(N2CCO[C@H](Cn3cc(C)cn3)C2)n2ncnc2n1 69420785 ONJLDYPTYWBBOE-HNNXBMFYSA-N 341.419 1.487 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)NC(=O)COCC(F)(F)F)cc1 69534101 MHDDSCUYOGAFAX-UHFFFAOYSA-N 339.291 1.273 0 40 EDAB C[C@H](C(=O)NCC(F)(F)F)N1CCN(C[C@H](O)C(C)(C)C)CC1 69627968 MJRUIRGKTZXGOE-NEPJUHHUSA-N 339.402 1.078 0 40 EDAB CN(C)c1nc2cc(NC(=O)N[C@H]3CCc4ncnn4C3)ccc2o1 97104126 VEPNRBZJFKMTBA-NSHDSACASA-N 341.375 1.622 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N1CCC[C@@H]1Cn1cccn1 69770369 HQBUVUPCVLQBCA-CYBMUJFWSA-N 325.434 1.232 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)NC[C@@H]1CCCc2ccccc21 69742613 UGRMESHFUKWFPI-HOTGVXAUSA-N 339.443 1.419 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)o1 69869362 PDIXFWYGZDBRRG-UHFFFAOYSA-N 348.340 1.448 0 40 EDAB C[C@H]1CN(C2CCN(CC(=O)NCc3ccc(F)cc3)CC2)CCO1 69811068 WNEOVVAKDZYRND-HNNXBMFYSA-N 349.450 1.627 0 40 EDAB CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC1(c2ccccc2)CC1 69809423 FLJVPOUKHJEHJN-ZFWWWQNUSA-N 338.473 1.798 0 40 EDAB COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(=O)[nH]n1 69810157 XVVDYMHFIDDHFE-UHFFFAOYSA-N 339.754 1.851 0 40 EDAB C[C@@H](CNC(=O)CCCOc1ccccc1F)N1CCN(C)CC1 69878993 ZOLDQJREXMIRNJ-HNNXBMFYSA-N 337.439 1.737 0 40 EDAB CNC(=O)Cc1nc(COC(=O)/C=C/c2csc(C)n2)cs1 72312609 HTRCYGNKAVTWGO-ONEGZZNKSA-N 337.426 1.953 0 40 EDAB COCCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1cnn(-c2ccccc2)c1 72275675 ZKRCMCDALSQWOQ-DOTOQJQBSA-N 343.383 1.883 0 40 EDAB COc1cccc2c1OC[C@@H](C(=O)N1CCC[C@@H](n3cncn3)C1)C2 72235101 KHHMOMUOOYPMNU-LSDHHAIUSA-N 342.399 1.702 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(C[C@H](O)c2ccccc2)C1 84281137 PVTPXGJKUXKHML-IRXDYDNUSA-N 344.415 1.534 0 40 EDAB CCn1nc2c(cc1=O)CN(C[C@@H](O)COCc1ccccc1)CC2 72302176 YFQFMNKIOGWUCD-QGZVFWFLSA-N 343.427 1.199 0 40 EDAB CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(Br)c(O)c1 97235693 CVPQFLOZKIHQIZ-LLVKDONJSA-N 341.205 1.895 0 40 EDAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN1CCC(=O)NC1=O 84726589 ZLWZGZVXNSVQOX-NSHDSACASA-N 346.387 1.095 0 40 EDAB C[C@H](Sc1nnnn1CCN(C)C)c1cn(-c2ccccc2)nn1 95414691 PWKRAXYTLDTTKX-LBPRGKRZSA-N 344.448 1.669 0 40 EDAB COc1cc(CN2CCC[C@@H](C(N)=O)C2)ccc1OC(=O)C1CC1 95453772 HJADDNYZDCOXJZ-CQSZACIVSA-N 332.400 1.708 0 40 EDAB Cc1cc(NCCNC(=O)[C@H]2C[C@H]2c2ccccc2)n2ncnc2n1 95960408 APXINQPXFJIXLA-GJZGRUSLSA-N 336.399 1.765 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCCN(C(=O)C3CCCC3)CC2)CC1 75034387 DGEPQDZADDUTMN-UHFFFAOYSA-N 349.475 1.496 0 40 EDAB Cc1nn(CC(=O)NC2(CC(=O)O)CCOCC2)c(C)c1Cl 89512589 BKDLBUODBAJAIW-UHFFFAOYSA-N 329.784 1.293 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CC[C@H](N(C)Cc3ncc(C)o3)C2)no1 89605084 DLZHALBNCMLPCF-KBPBESRZSA-N 347.419 1.813 0 40 EDAB CN(CC(=O)Oc1ccc2c(c1)CCC2)S(=O)(=O)c1cccnc1 75489194 NIYZNWRPWQLUFK-UHFFFAOYSA-N 346.408 1.796 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)Cc2nc3nc(C)cc(C)n3n2)C12CCC2 89985713 UPXBTMHNOAAQAL-KGLIPLIRSA-N 343.431 1.748 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408612778 YTANXJDIUPCMDR-UHFFFAOYSA-N 326.418 1.376 0 40 EDAB CC[C@@H](C(N)=O)N1CCC(NC(=O)[C@H]2Cc3ccc(Cl)cc32)CC1 1004070100 FQEPAKWPIOEFSV-HOTGVXAUSA-N 349.862 1.824 0 40 EDAB COc1ccccc1OCCNS(=O)(=O)c1c(C)noc1C 69079064 JRQWZUYTPFUFLT-UHFFFAOYSA-N 326.374 1.657 0 40 EDAB CC(=O)NCCOCCSc1nc2ccsc2c(=O)n1C 521394503 BSOBLCDQZKJVKG-UHFFFAOYSA-N 327.431 1.240 0 40 EDAB Cc1n[nH]c(C)c1CNC(=O)CC1(Cn2cnnn2)CCCCC1 524732669 HJKLVIPJXOXELL-UHFFFAOYSA-N 331.424 1.670 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)NCc2cccnc2C)[C@H]1n1cccn1 527972764 LUQXLOSHXLCGSC-BZUAXINKSA-N 329.404 1.804 0 40 EDAB COc1cccc([C@H](CC(=O)O)NC(=O)CCn2cc(C)cn2)c1 532006096 PGHIGRDFOBYTHX-HNNXBMFYSA-N 331.372 1.922 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CC1 33649245 FSUVVGYUGXTCQK-MRVPVSSYSA-N 347.234 1.395 0 40 EDAB C[C@H]1CN([C@@H](C)CNC(=O)c2ccc(-n3cncn3)cc2)C[C@@H](C)O1 32430710 MXNBIBVCEVHJFJ-SOUVJXGZSA-N 343.431 1.495 0 40 EDAB CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN2C(=O)C2CC2)CC1 79032180 QZIAKPZFPMGWCS-CQSZACIVSA-N 337.420 1.125 0 40 EDAB CC1(C)NC(=O)N(CCN2CC[C@@H](c3nc(C4CC4)no3)C2)C1=O 520853765 ZSBMIPOWJAWYDV-LLVKDONJSA-N 333.392 1.067 0 40 EDAB O=C(NCCc1c[nH]c2ccccc12)C1CN(C(=O)c2cnccn2)C1 70809228 TUUSHBZDWIJNOI-UHFFFAOYSA-N 349.394 1.389 0 40 EDAB O=C(NCc1ccco1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32087884 DLPDBKNCIKUTTP-LBPRGKRZSA-N 326.360 1.250 0 40 EDAB C[C@@H]([C@@H](C)N(C)C(=O)c1cc(F)c(F)c(O)c1F)S(C)(=O)=O 183617142 GJWXTTLWWMNQBM-RQJHMYQMSA-N 339.335 1.703 0 40 EDAB Cc1nnc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)s1 71555588 JZISMNAZOWOXGS-ZCFIWIBFSA-N 340.386 1.367 0 40 EDAB COc1ccc(Cn2ccc3c(nnc4ccnn43)c2=O)cc1OC 40388035 AZMMBMKIJWRLTH-UHFFFAOYSA-N 337.339 1.505 0 40 EDAB CC(=O)N1CCC(N2CC[C@@H](CO)N(C)c3nc(C)ccc3C2)CC1 225495311 PPENZFZBDJSDHV-SFHVURJKSA-N 346.475 1.404 0 40 EDAB biogenic,in-vitro Cc1nc(CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)sc1C(=O)O 320843474 OVCLCHCNIOINCS-JTQLQIEISA-N 339.417 1.270 0 40 EDAB O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncccn1)c1ccco1 96250320 GTEHXNRRGSLEFS-KCQAQPDRSA-N 328.372 1.483 0 40 EDAB CN(C)CCN1CCC2(CCN(C(=O)c3cscn3)CC2)C1=O 96062932 FZAYGJZKDBBUCS-UHFFFAOYSA-N 336.461 1.159 0 40 EDAB c1cnc(N2CCOC[C@@H]2c2nccc(N3CCCCC3)n2)nc1 96218254 WMJSFTHXGZWXBO-CQSZACIVSA-N 326.404 1.835 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)C3CCCCC3)CC2)C[C@H]1C(=O)O 96157065 SVEODIQMPWXKAN-HNNXBMFYSA-N 336.432 1.881 0 40 EDAB CC(C)[C@@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CCS1 96432294 UTPSTULNIGTGLH-HNNXBMFYSA-N 331.445 1.805 0 40 EDAB COc1ccc(Br)cc1CCC(=O)N(C)CC(N)=O 96416895 AITXGSXFJCVQKJ-UHFFFAOYSA-N 329.194 1.334 0 40 EDAB CCS(=O)(=O)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 96239744 MOMKQNMAZOQSJV-ZDUSSCGKSA-N 346.403 1.364 0 40 EDAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2cnn(C)c2)n1 96054036 UKTLSDRTGNAFSY-IRXDYDNUSA-N 325.416 1.499 0 40 EDAB CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(Cc1ccccc1F)C2 514289826 PANCSNSQGBEDRB-ZWKOTPCHSA-N 347.478 1.787 0 40 EDAB biogenic,in-vitro O=C(N1CCCC1)N1CCC2(CC1)CN(c1ccccn1)CCO2 96159012 WEOPTKRTOOXEQR-UHFFFAOYSA-N 330.432 1.969 0 40 EDAB C[C@H](Cn1cc(Br)cn1)NCCNC(=O)C(C)(C)C 97228417 ISWTYZCZCKDVSV-SNVBAGLBSA-N 331.258 1.786 0 40 EDAB COc1cccc(CC(=O)N2CC[C@H]3[C@H]2CCN3c2nncs2)c1 96184891 GAULCHXIXDQEPR-CABCVRRESA-N 344.440 1.969 0 40 EDAB CCn1nc(C)cc1C(=O)N1CC[C@H](OC)[C@H]2CN(CC3CC3)C[C@H]21 96109451 YAKBDSVJBWXJQH-JQHSSLGASA-N 346.475 1.783 0 40 EDAB CC(C)Cn1cc(N2C[C@@H](C(=O)NCc3cccnc3)CC2=O)cn1 96192180 WRDAMBJEKLDYHL-HNNXBMFYSA-N 341.415 1.603 0 40 EDAB CC(C)C(=O)N1CCN(Cc2ccoc2)C[C@]2(CC(=O)N(C)C2)C1 96036048 NQHVDZYTGACZPV-GOSISDBHSA-N 333.432 1.428 0 40 EDAB COCCN1CCN(S(=O)(=O)C2CC2)Cc2ccc(C)nc21 96199050 XNGRJIGSJRTONG-UHFFFAOYSA-N 325.434 1.151 0 40 EDAB COCCO[C@@H]1CCN(C(=O)c2occc2C)[C@H]1Cc1cnn(C)c1 96200228 XBICJTZCQRPBOP-JKSUJKDBSA-N 347.415 1.810 0 40 EDAB O=C(CCc1ccccc1)NCc1nccc(N2CCOCC2)n1 96120873 VCTWYFPEIWWNLC-UHFFFAOYSA-N 326.400 1.562 0 40 EDAB CCCOc1cccc(CC(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)c1 583617851 ZQWUHMQDCLLUMY-GOSISDBHSA-N 344.415 1.646 0 40 EDAB CC(C)n1nnnc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 583621978 QGMRHSBMTNDDKH-GJZGRUSLSA-N 348.430 1.088 0 40 EDAB O[C@]1(c2cnn[nH]2)CCCN(Cc2ncc(Cl)cc2Cl)C1 583617894 GUVVOTPUXAXVRF-CYBMUJFWSA-N 328.203 1.990 0 40 EDAB Cc1ccc(NC[C@@H]2CO[C@]3(COCCN(C(=O)C4CC4)C3)C2)nn1 96240570 QFICVPYDVIMRMO-RDTXWAMCSA-N 346.431 1.241 0 40 EDAB Fc1cnc(N2CC[C@H]3[C@@H](CC2)OCCN3Cc2cccnc2)nc1 96249386 VZYJJESTLNYUTC-DLBZAZTESA-N 343.406 1.881 0 40 EDAB COCCO[C@@H]1CCN(C(=O)c2ccc(C)o2)[C@@H]1Cc1cnn(C)c1 96200659 LWDNZHDGQWJIMQ-HZPDHXFCSA-N 347.415 1.810 0 40 EDAB O=C(c1cccnc1)N1CCO[C@@]2(CCCN(c3ccccn3)C2)C1 96226376 NIMZKOLPGVUMNF-LJQANCHMSA-N 338.411 1.988 0 40 EDAB O=C(C[C@H]1CN(C2CCC2)Cc2ccnn21)NCc1ccccn1 247876008 TWVFZPUNGFKMRG-KRWDZBQOSA-N 325.416 1.894 0 40 EDAB CN(C)c1cc(N2CC3(CC[C@H](CN4CCCC4)CO3)C2)ncn1 248153162 YHQCTANHABRTIE-OAHLLOKOSA-N 331.464 1.624 0 40 EDAB COc1ccccc1OCC(=O)N1C[C@H]2OC[C@@H](CN(C)C)[C@H]2C1 248048712 WYZCXKMPLDNZPM-CKEIUWERSA-N 334.416 1.109 0 40 EDAB CCCS(=O)(=O)N1CC[C@@H]2[C@@H](CCCC(=O)N2CCOC)C1 257338358 YXADZHSNSFFDTE-UONOGXRCSA-N 332.466 1.076 0 40 EDAB COC[C@]1(C(N)=O)CCCN1C(=O)C[C@H](C)Cc1cccc(F)c1 585088491 KOBSSDQTGHORIM-ACJLOTCBSA-N 336.407 1.887 0 40 EDAB CCO[C@@]1(C(=O)NCc2nccn2CCc2ccccc2)CCOC1 585088675 NAFZXOMSJOQWSS-IBGZPJMESA-N 343.427 1.938 0 40 EDAB CC(C)(N)C(=O)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)c1 257209430 BQIJXTKWZMXMEU-KKUMJFAQSA-N 346.431 1.147 0 40 EDAB Cn1cnnc1[C@H](CO)Nc1ncnc2sc3c(c12)CCCC3 585132705 NLFILXFQHQFPKG-JTQLQIEISA-N 330.417 1.844 0 40 EDAB COC[C@H](Cc1ccccc1)NCc1nc(Br)nn1C 585137389 WNLFHTKRDHEKFU-LBPRGKRZSA-N 339.237 1.925 0 40 EDAB Cc1ccc2nc(C(=O)N3CCO[C@H](c4nc(C)cn4C)C3)cn2c1 257336359 YOBLKUIITSFRPG-HNNXBMFYSA-N 339.399 1.898 0 40 EDAB Cc1ccsc1CN1CC2(C1)OCC[C@@H]2CCNS(C)(=O)=O 253598509 COHBDSUVSYBNNR-ZDUSSCGKSA-N 344.502 1.587 0 40 EDAB Cc1noc(C)c1C(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257296832 RENWNRSTTPTSSK-VXGBXAGGSA-N 329.347 1.208 0 40 EDAB Cc1ncccc1C(=O)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257305587 SQQOLZXEOUBDIN-AWEZNQCLSA-N 328.372 1.359 0 40 EDAB C[C@@H]1COCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)O)cc1F 285681388 ZZIVDLRIWAEEIG-KOLCDFICSA-N 331.365 1.475 0 40 EDAB Nc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CC=CC1 1615587047 UNSUSNAHULABNG-UHFFFAOYSA-N 335.429 1.958 0 40 EDAB C[C@@H](N[C@@H](C(N)=O)c1ccccc1)C(=O)N1CCc2sccc2C1 1615588084 BZROAJGQNKKRJG-MLGOLLRUSA-N 343.452 1.838 0 40 EDAB COCC[C@H]1COCCN1C(=O)Nc1nn(-c2cccnc2)cc1C 1615540915 BKPHZINFGMHIKQ-HNNXBMFYSA-N 345.403 1.845 0 40 EDAB COC1(C(F)(F)F)CCN(c2ncnc3c2NC(=O)CN3C)CC1 1615552062 RCPGQSDMUBTLPN-UHFFFAOYSA-N 345.325 1.413 0 40 EDAB COc1cc([C@H](C)NC(=O)C2CCOCC2)ccc1S(C)(=O)=O 1615615691 RJFJXEHGNXDLRR-NSHDSACASA-N 341.429 1.703 0 40 EDAB N[C@H]1CC2(CCN(C(=O)CN3CCOCC3)CC2)Oc2ccccc21 1616039599 RUPNAYSFAFGWNV-INIZCTEOSA-N 345.443 1.162 0 40 EDAB CC[C@H](Cn1nnnc1N1CCC(CO)(OC)CC1)c1ccccc1 1616034240 YMEGMARENPCUBO-OAHLLOKOSA-N 345.447 1.845 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575403548 GOEGYRHDTJXKFA-HNNXBMFYSA-N 328.372 1.476 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 575405355 SEQMHGWQWRAYNC-CQSZACIVSA-N 326.418 1.181 0 40 EDAB COCC(=O)N1CC(F)(F)C[C@]2(CCN(c3cccnc3)C2=O)C1 585093058 HPPRZPJLYCGRPZ-OAHLLOKOSA-N 339.342 1.319 0 40 EDAB Nc1ncccc1C(=O)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585287854 GCPPHOZAJGKLJF-ZSZQSSIHSA-N 339.395 1.423 0 40 EDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)CCn2nnnc2C)cc1 585276129 KARPFDVPGLUYQN-IRXDYDNUSA-N 343.431 1.275 0 40 EDAB COCC(=O)N1CCn2cc(C(=O)NCc3cccs3)nc2[C@@H]1C 585096235 CCYORAZXPAONRI-NSHDSACASA-N 348.428 1.424 0 40 EDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)Cn3cccn3)CCO2)cc1 585275791 JQBMJSWUNMCUPX-SFHVURJKSA-N 329.400 1.024 0 40 EDAB CC(C)(C)n1cc(C(=O)N2CCCN(c3cccnn3)CC2)cn1 70006495 CPHQLONFPUBNMO-UHFFFAOYSA-N 328.420 1.781 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 47927664 AGUPLSSFAPJWEF-OAHLLOKOSA-N 343.420 1.796 0 40 EDAB CC(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 36776853 AOHAROXEJUCKSG-UHFFFAOYSA-N 339.351 1.906 0 40 EDAB Cn1cc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cn1 57262978 AIJRBPZJTBEIKE-UHFFFAOYSA-N 347.806 1.959 0 40 EDAB O=C(N[C@@H]1COc2ccccc2C1)c1cccc(N2CCNC2=O)c1 53046815 NGKIBIZZMAGLAM-HNNXBMFYSA-N 337.379 1.950 0 40 EDAB Cc1ccc(C(=O)N2CCN(Cc3nnnn3C3CC3)CC2)s1 55928787 FVAVELIUCDJZOO-UHFFFAOYSA-N 332.433 1.336 0 40 EDAB CNC(=O)c1cccc(NC(=O)CN(CCO)Cc2ccccc2)c1 72314820 UKKLCBNJVXKNIN-UHFFFAOYSA-N 341.411 1.479 0 40 EDAB O=C(O)c1sccc1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1 37503116 CZFZENYXROQFOS-VIFPVBQESA-N 331.415 1.636 0 40 EDAB Cc1c([C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)cnn1-c1ccc(F)cc1 89544903 KMOZKIIXRSDZBD-OTYXRUKQSA-N 331.351 1.178 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN([C@H](C)c2cccnc2)C1 107503526 VQCHNVKDONZYNN-MLGOLLRUSA-N 329.404 1.957 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)CN2CCCCCCC2=O)cc1 78429381 ZWNJBHUXGVOMRX-INIZCTEOSA-N 334.416 1.638 0 40 EDAB COCCNC(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96381048 CEPKZOXBUFTLRT-UHFFFAOYSA-N 332.809 1.154 0 40 EDAB O=C(NCCc1cccs1)N1CCN(C[C@@H]2COCCO2)CC1 84442219 UZMVGPYADOOZOY-CQSZACIVSA-N 339.461 1.033 0 40 EDAB CC(C)[C@H](Cn1nnc2ccccc21)NC(=O)c1cnn2cccnc12 12141897 GBYJCTDTHUKLCL-HNNXBMFYSA-N 349.398 1.929 0 40 EDAB CCOc1cccc(C(=O)Nc2nnc(S(C)(=O)=O)s2)c1 13548779 ZVFVJWRSXRKWFM-UHFFFAOYSA-N 327.387 1.593 0 40 EDAB O=C(COC(=O)C1=COCCO1)NCCc1c[nH]c2ccccc12 13986009 VZUNYDPDLJMVCE-UHFFFAOYSA-N 330.340 1.258 0 40 EDAB Cc1cc2nc([C@@H](C)NC(=O)COc3ccccn3)cc(O)n2n1 19129725 CGCNUNAOYAPELD-LLVKDONJSA-N 327.344 1.395 0 40 EDAB COc1ccccc1-n1nnc(C(=O)N(C)Cc2nonc2C)c1C 19559126 DZNLXWDRIOQURR-UHFFFAOYSA-N 342.359 1.548 0 40 EDAB CCc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)CC3)C2=O)cc1 19807861 HFQJXXDSOMMAKD-OAHLLOKOSA-N 329.400 1.078 0 40 EDAB Cn1cc(CCCNC(=O)Nc2cccc(-c3ncn(C)n3)c2)cn1 161566414 BBSJQGJWXZUAIA-UHFFFAOYSA-N 339.403 1.970 0 40 EDAB O=C1O[C@@H]2[C@H]3C[C@H]([C@@H](C(=O)O)[C@@H]13)[C@@H]2Sc1ccc([N+](=O)[O-])cc1 35828550 IAZPUYOEEIBQDC-NGFXDRFKSA-N 335.337 1.948 0 40 EDAB biogenic,in-vitro O=C([C@@H]1CCOC1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390832151 XRDZDXCCXNCXDE-DOMZBBRYSA-N 341.404 1.550 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(c2ncnc3ccccc23)C1)C1CC1 1889136054 RBEKAPIVSDFRBL-GFCCVEGCSA-N 332.429 1.680 0 40 EDAB COc1cnc(O[C@H]2CCN(c3ncnc4c3ccn4C)C2)nc1 2087143859 CUPPWCPOAUGUFA-NSHDSACASA-N 326.360 1.425 0 40 EDAB CCCS(=O)(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 1565542906 DICBNTBRHCCJLP-INIZCTEOSA-N 349.456 1.875 0 40 EDAB Cc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)CN(C)C(C)C)C[C@@H]32)o1 1565549586 UMOAVVWTVXHXLL-RBSFLKMASA-N 336.436 1.439 0 40 EDAB COCCN1CCCC2(CCN(C(=O)CN(C)C(C)C)CC2)C1=O 1565545329 ZNZKBSXACHUUON-UHFFFAOYSA-N 339.480 1.204 0 40 EDAB CCCS(=O)(=O)N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055738683 JZWJWYATLJIYQQ-NSHDSACASA-N 341.433 1.097 0 40 EDAB O=C(c1cccc(OC(F)(F)F)c1)N1CC(Cn2ccnn2)C1 1775967531 VONQXBWYOYWWBE-UHFFFAOYSA-N 326.278 1.949 0 40 EDAB O=C1CN(S(=O)(=O)c2ccccc2F)CCN1c1cccnc1 585150443 WPFLNRGRGCWMOX-UHFFFAOYSA-N 335.360 1.258 0 40 EDAB CCNc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C(C)C 23115429 XAHDQZSWBXKENQ-UHFFFAOYSA-N 341.415 1.958 0 40 EDAB O=C(CSc1nc(O)c2nc[nH]c2n1)c1ccc2c(c1)OCO2 33027595 OWBSDVCCQHIAGF-UHFFFAOYSA-N 330.325 1.762 0 40 EDAB CSc1ccc([C@@H](C)NC(=O)NCCCNS(C)(=O)=O)cc1 31106411 MBBDHOUKEJGWOA-LLVKDONJSA-N 345.490 1.708 0 40 EDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 153831 RXWNRMINQFDXKQ-CYBMUJFWSA-N 339.413 1.585 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3C[C@H]4CC[C@H]3C4)c(C)c12 102138326 WFRJFDIHCCNBRQ-STQMWFEESA-N 328.416 1.822 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)C[C@@H](C)O1 32804322 UVLVONFGPFSEBF-VXGBXAGGSA-N 338.433 1.349 0 40 EDAB Cn1cnnc1CNS(=O)(=O)c1ccc(Br)cc1F 97163103 ONLOBFIGWUPLCO-UHFFFAOYSA-N 349.185 1.195 0 40 EDAB COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)cc1 421687 QOBBEWZSQNDSGC-UHFFFAOYSA-N 341.396 1.915 0 40 EDAB CCOc1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@H]3NC2=O)cc1 538752 PIKMAMRNLUSSDQ-ARFHVFGLSA-N 331.416 1.813 0 40 EDAB CCC(CC)NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 8746125 GSPKKJQELGGXRZ-UHFFFAOYSA-N 337.401 1.344 0 40 EDAB CCN1C[C@@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)[C@H](C)C1 76058548 NGHMZEGAPGGVIG-IAQYHMDHSA-N 337.445 1.190 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCO[C@H](CNc2cccnn2)C1 78894116 ULIMXFLHMSANRZ-BZUAXINKSA-N 347.463 1.379 0 40 EDAB O=C(CCc1cscn1)N1CCN(c2cc(Cl)ncn2)CC1 78994263 NRGDYYBVSCAXPJ-UHFFFAOYSA-N 337.836 1.868 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)OCO2 2618067 SPRWFITUIJDQPW-UHFFFAOYSA-N 339.307 1.057 0 40 EDAB CCOc1ccccc1C(=O)N1CCC(NC(=O)[C@@H]2CCCO2)CC1 53108778 HXLZJHQDTJVQDQ-KRWDZBQOSA-N 346.427 1.985 0 40 EDAB C[C@H](O)CNC(=O)/C(=C\c1cccn1C)NC(=O)c1ccccc1 4983658 IGRVFFYXLKYIGB-XDUBLRSXSA-N 327.384 1.293 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 6305675 KTLHBGHSBJYCFA-VMUDFCTBSA-N 347.754 1.716 0 40 EDAB O=S1(=O)CC[C@@H](N(C2CC2)S(=O)(=O)c2cccc(Cl)c2)C1 58457605 OEGZTVIDKNKYLW-GFCCVEGCSA-N 349.861 1.680 0 40 EDAB CC1(C)[C@H]2C(=N)[C@H](C(=O)c3ccccc3)SC(=O)[C@H]1C(=O)NC2=O 103151183 NPTYILQQMHRYQT-OPQQBVKSSA-N 344.392 1.446 0 40 EDAB COC(=O)CCn1c(SCC(=O)OC)nc2ccccc2c1=O 8346217 GJAANFPBXDZJBM-UHFFFAOYSA-N 336.369 1.225 0 40 EDAB O=C1CN(C(=O)CCCOc2cccc(Br)c2)CCN1 23419320 SOONNOLIGCRYSR-UHFFFAOYSA-N 341.205 1.567 0 40 EDAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccn1 24444833 DBKVBTVPSDSJEA-UHFFFAOYSA-N 348.380 1.655 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c1nc(S)n2Cc1cccc2ccccc12 100887269 ZJRLZCOPIDIJOJ-UHFFFAOYSA-N 338.392 1.914 0 40 EDAB COc1nn(C)c2nc(C)c(CCC(=O)NC[C@@H]3CCCO3)c(C)c12 24823685 VYIFTLOPLKAEMI-ZDUSSCGKSA-N 346.431 1.822 0 40 EDAB Cc1nc2cc([C@H]3CCCN(C(=O)[C@H]4CCCO4)C3)nn2c(O)c1C 100137637 GIONLQRCWMTMPB-DZGCQCFKSA-N 344.415 1.937 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)s1 24952023 OUBXOYZOYNSJPV-UHFFFAOYSA-N 337.470 1.958 0 40 EDAB CS(=O)(=O)Nc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1 24995524 OPXPLCFYECUWSM-UHFFFAOYSA-N 340.401 1.037 0 40 EDAB COC(=O)C1(c2ccccc2)CCN(C(=O)c2cnccn2)CC1 25055797 QFRJKTAYGPSOQW-UHFFFAOYSA-N 325.368 1.824 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC(N2CCNC2=O)CC1 55786187 MMUKNIDYBYGOCG-BLLLJJGKSA-N 345.399 1.231 0 40 EDAB CCC[C@@H]1CN(C(=O)[C@H](C)OCC)CCN1C(=O)[C@H](C)OCC 107151934 UCFONTCPWGIVOV-SOUVJXGZSA-N 328.453 1.676 0 40 EDAB CS(=O)(=O)Nc1ccccc1C(=O)O[C@H](C(N)=O)c1ccccc1 12521047 AANKKXNPFKSJTK-AWEZNQCLSA-N 348.380 1.442 0 40 EDAB CCN1CCC(N(C(=O)c2cccc(-n3cnnn3)c2)C2CC2)CC1 57371033 ATZMDOAVPRTTMU-UHFFFAOYSA-N 340.431 1.751 0 40 EDAB O=C(NCc1ccc(CO)c(F)c1)[C@H]1CCCN(c2ncccn2)C1 95373540 AMMKAFMBQOBOKL-AWEZNQCLSA-N 344.390 1.641 0 40 EDAB C[C@@H](Cc1ccccc1Br)NC(=O)c1c[nH]c(=O)cn1 84640765 QFVXQBCGVIICHE-VIFPVBQESA-N 336.189 1.893 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]([C@H](C)O)C1 108390834 VXAFVLWHLPKCQI-LSDHHAIUSA-N 343.493 1.937 0 40 EDAB COc1cc(NC(=O)CCNC(=O)[C@H]2C[C@H]2C)ccc1NC(C)=O 44772907 YSBKGCTYLGFNNA-MFKMUULPSA-N 333.388 1.754 0 40 EDAB CC1=C(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)C(=O)OC1(C)C 58224481 FADRTFXYZBNSQK-UHFFFAOYSA-N 348.374 1.632 0 40 EDAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207335 DOAHMHZZZWANMP-LBPRGKRZSA-N 328.434 1.621 0 40 EDAB C[C@@H](C(=O)NCCC(=O)N1CCCc2ccccc21)n1cncn1 44955550 SZCWDUOMIBBHNJ-ZDUSSCGKSA-N 327.388 1.325 0 40 EDAB O=C(NCCc1ccccn1)NC1CCN(c2ncccn2)CC1 44947248 VMMLGVMLCVAWRB-UHFFFAOYSA-N 326.404 1.382 0 40 EDAB CCOc1ncccc1C(=O)N1CCN(C(=O)CC(F)(F)F)CC1 58377921 UKTVUIBAJCYUSK-UHFFFAOYSA-N 345.321 1.717 0 40 EDAB CN(C)c1ccc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1F 58311682 BPHIMGOBETWEQJ-LBPRGKRZSA-N 343.424 1.046 0 40 EDAB O=C(NCc1ccccc1-n1cccn1)c1ccnc(-n2cncn2)c1 58314039 OYNFDTHCTQWUGL-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB O=C(CNc1cc(Cl)ccc1N1CCOCC1)N1CCOCC1 3303854 TZAFEEIALYTHDU-UHFFFAOYSA-N 339.823 1.447 0 40 EDAB C[C@@H](NC(N)=O)C(=O)OCCOc1ccc(Br)cc1 3304271 CXPIYOFSVDGSDB-MRVPVSSYSA-N 331.166 1.428 0 40 EDAB O=C(COC(=O)C1=COCCO1)Nc1ccc(Br)cc1 3463528 POBBXEYCMXVOKK-UHFFFAOYSA-N 342.145 1.819 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2F)C1 92569502 UXHXOJJLCGQOIZ-GFCCVEGCSA-N 332.372 1.048 0 40 EDAB CCc1nnc([C@H](C)N[C@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)o1 72300507 AWROHJCHYCYTOG-AVGNSLFASA-N 344.481 1.731 0 40 EDAB CC(C)OCCCNC(=O)CN(Cc1ccccc1)S(C)(=O)=O 409367266 OYUUWAIQKRCNRS-UHFFFAOYSA-N 342.461 1.380 0 40 EDAB CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ccc(=O)n(-c2ccccc2)n1 97233352 PXURASAKBWSIEY-WMLDXEAASA-N 341.411 1.856 0 40 EDAB CCn1ncnc1[C@@H]1CC(=O)NCc2nc(N3CCCC3)sc21 65461413 CQBJOGBRKGYXGM-SNVBAGLBSA-N 332.433 1.507 0 40 EDAB Cc1nc(CCNC(=O)N[C@H]2CCCc3c2cnn3CCO)cs1 65449126 KQVSYILHDWXJSN-AWEZNQCLSA-N 349.460 1.560 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2ccccn2)C(N)=O)cc1 65514812 INGVRAZJNFKBBN-AWEZNQCLSA-N 327.384 1.554 0 40 EDAB CN1CCC2(CC1)NC(=O)N(CNC(C)(C)c1ccc(F)cc1)C2=O 65553573 LVFLRPJKYRTJBA-UHFFFAOYSA-N 348.422 1.624 0 40 EDAB Cc1noc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)n1 97235970 SDGBQALCBXARKE-GFCCVEGCSA-N 346.362 1.537 0 40 EDAB CCNC(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2)c1 14242490 OJPMMHFWEIBNDD-UHFFFAOYSA-N 325.368 1.805 0 40 EDAB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)N[C@H]1CCCC[C@H]1C 409000726 FOVSZQSOGIQPHE-FRRDWIJNSA-N 327.425 1.308 0 40 EDAB CNC(=O)CNC(=O)/C=C/c1csc(-c2ccc(OC)cc2)n1 9114352 MCBMXCNYGXMPFU-VMPITWQZSA-N 331.397 1.694 0 40 EDAB COc1cccc(CNC(=O)CSc2nc3ncccn3n2)c1 14707893 GHTVQSVKLGPMMR-UHFFFAOYSA-N 329.385 1.541 0 40 EDAB CCO[C@H]1C[C@@H](O)C12CCN(c1ncc(Br)cn1)CC2 95400794 ZZWRBMDIBPPRQP-NEPJUHHUSA-N 342.237 1.995 0 40 EDAB CCOC(=O)C1=C(CN2CCC[C@H](C(F)(F)F)C2)NC(=O)NC1 19532056 DTPZLENRBVEAMI-VIFPVBQESA-N 335.326 1.391 0 40 EDAB CC(C)CCC[C@H](C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 15324520 NBCAJTLFILBQHA-LBPRGKRZSA-N 348.490 1.827 0 40 EDAB CCCCN(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C 67404635 ZDPYUPIYKKYNRU-OAHLLOKOSA-N 341.477 1.252 0 40 EDAB CCOc1ccc(N2CCN(C(=O)c3cccc(OC)c3)CC2)nn1 22997217 XWVZOWTUPLDGDH-UHFFFAOYSA-N 342.399 1.846 0 40 EDAB COCc1nc(C)cc(N2CCC[C@@H]2CC(=O)c2cnn(C)c2)n1 97047853 XPVPJIQFXQNSGZ-CQSZACIVSA-N 329.404 1.907 0 40 EDAB COc1cc(/C=C/C(=O)N(C)C2CCCC2)ccc1OCC(N)=O 44890246 WCCGGQGTQMFBNJ-CSKARUKUSA-N 332.400 1.974 0 40 EDAB CCc1nnc2n1CCN(CC(=O)N[C@H](c1ccccc1)C1CC1)C2 69451163 UOUMXHYLIRECAM-LJQANCHMSA-N 339.443 1.924 0 40 EDAB CCN1C[C@H](C(=O)NCC2CCN(Cc3cccs3)CC2)CC1=O 69487141 KXRVKCMWJDOMCJ-OAHLLOKOSA-N 349.500 1.945 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)N1CCC[C@H](n2cccn2)C1 69420687 OXWQKJCHPGKHOJ-LBPRGKRZSA-N 343.412 1.518 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)c1nccs1 69566355 LAXHXXDKWIMXTL-SSDOTTSWSA-N 346.459 1.412 0 40 EDAB CCN(CC)S(=O)(=O)CCNC(=O)N(C)Cc1ccccc1C 69599252 WHQLFHHSOIHDHN-UHFFFAOYSA-N 341.477 1.808 0 40 EDAB CO[C@]1(C)C[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)C1(C)C 97049444 VRXLAEBSKRGZJU-CRAIPNDOSA-N 340.512 1.469 0 40 EDAB CN1C[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1=O 69629305 RHGKRPNBXPFCMA-GOEBONIOSA-N 333.407 1.385 0 40 EDAB Cc1ncc2c(n1)CN([C@@H](C)C(=O)NCCc1cccs1)CC2 69632779 LNOGORMJBOREHK-LBPRGKRZSA-N 330.457 1.952 0 40 EDAB O=C(Cc1ccc(F)cc1)NCCN1CCN(C(=O)C2CCC2)CC1 69705675 RJIARGBCKYINJK-UHFFFAOYSA-N 347.434 1.429 0 40 EDAB C/C=C/c1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc(OC)c1OC 69893374 MZHOWEVQSZJRML-VBROQKIQSA-N 348.443 1.876 0 40 EDAB C[C@H]1CCc2sc(C(=O)N3CCN([C@H](C)C(N)=O)CC3)cc2C1 69895536 XGIMKYOXUWXONG-NWDGAFQWSA-N 335.473 1.505 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](n2ccnc2C)C1 69899200 KGMFWTMFGILEAO-TZMCWYRMSA-N 327.450 1.568 0 40 EDAB c1cnnc(N2CCC[C@H](NCc3nc(-c4ccco4)no3)C2)c1 69921905 BODLNSXDGNSEOW-LBPRGKRZSA-N 326.360 1.878 0 40 EDAB c1cc(CNc2cncc(-n3cccn3)n2)cc(Cn2cncn2)c1 71792431 HDNWVLYNEKTHMA-UHFFFAOYSA-N 332.371 1.914 0 40 EDAB C[C@H](C(=O)NC1CC1)[S@](=O)Cc1ccn(-c2ccc(F)cc2)n1 96448145 CETZZSHVZQRLPJ-BGJPBQGDSA-N 335.404 1.927 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCCc1c[nH]c2cc(F)ccc12 65161182 VKVQKZXONRACMD-NSHDSACASA-N 338.404 1.791 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)c1C 72286465 URILNVZEEBUWJH-AWEZNQCLSA-N 344.390 1.925 0 40 EDAB CC(C)N1C[C@@H](NC(=O)NCc2ccc(OCC3CC3)nc2)CC1=O 72293247 CYRPPLAAWIDWID-HNNXBMFYSA-N 346.431 1.679 0 40 EDAB CN(C(=O)CCOC[C@H]1CCCO1)[C@H]1CCN(c2ccccc2)C1=O 71896561 JEKWTLSNUBLEAZ-SJORKVTESA-N 346.427 1.836 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)CN2CCCCCC2=O)n1 71870040 ODKASNJCNFQXFI-INIZCTEOSA-N 332.448 1.894 0 40 EDAB Cc1ccc([C@H]2C[C@@H]2C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C 71835215 MDYNJQVALPUTRQ-CABCVRRESA-N 341.411 1.608 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cccc3ncccc23)CC1 71881866 BXTGCUMBSDPHHX-HNNXBMFYSA-N 343.427 1.390 0 40 EDAB CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@H]1Cn1cc(C)cn1 71866048 RWXWEBUWYGGNHH-GJZGRUSLSA-N 336.461 1.494 0 40 EDAB C[C@@H](Cc1cccs1)NC(=O)c1ccc(CNS(C)(=O)=O)o1 84742670 PELOSPFTTXYMKU-JTQLQIEISA-N 342.442 1.751 0 40 EDAB Cc1cccc(NC2CCN(S(=O)(=O)N3CCCCC3)CC2)n1 71921626 SRINDXNFUXAZKJ-UHFFFAOYSA-N 338.477 1.997 0 40 EDAB Cc1ccccc1C(=O)N[C@@H](C(=O)NCc1nonc1C)C(C)C 71914170 WJRDQMYRIRLIOY-OAHLLOKOSA-N 330.388 1.757 0 40 EDAB Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CCN(C(N)=O)C2)c1 97378184 VUZLFQBTEPOOQZ-SNVBAGLBSA-N 340.221 1.949 0 40 EDAB CC(=O)N[C@@H](C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)C(C)C 9709270 NXCWEKGCTFGVEQ-OAHLLOKOSA-N 342.403 1.774 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc(=O)n(C)n1)C(F)(F)F 84011950 PYMQHVVMPGZUKI-GFCCVEGCSA-N 344.293 1.591 0 40 EDAB COc1ccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)cn1 95477551 LKGSJKKBXPCCBR-UHFFFAOYSA-N 328.303 1.578 0 40 EDAB CCOC(=O)N1CCN(c2cc(C(N)=O)c3ccccc3n2)CC1 73770562 LIGDEOSHJKTPAN-UHFFFAOYSA-N 328.372 1.612 0 40 EDAB Cc1c(C(=O)NCCc2ccco2)cnn1[C@@H]1CCS(=O)(=O)C1 95950130 OLKKPWIDUHECMJ-GFCCVEGCSA-N 337.401 1.117 0 40 EDAB CN(C)c1cc(CNC(=O)N2CCC[C@@H]2CO)c2ccccc2n1 74928198 CONYTINVALZGEV-CQSZACIVSA-N 328.416 1.967 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)c2cnc(-c3ccccc3)nc2)cn1 75145966 SHABYOCOTSZXII-GOSISDBHSA-N 337.383 1.515 0 40 EDAB Cc1ccc(C[S@](=O)CC(=O)N2CCC[C@@H](C(N)=O)C2)cc1C 89643206 YBTNXUPQNHTUEX-IQMFZBJNSA-N 336.457 1.276 0 40 EDAB O=C1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CCN1 89768160 YEKQCTOPXIVLMV-NSHDSACASA-N 338.358 1.075 0 40 EDAB O=C(OC[C@H]1CCN(c2ccccc2)C1)c1ccc2n[nH]c(=O)n2c1 89845597 YOGQQPOUFFIRKR-ZDUSSCGKSA-N 338.367 1.706 0 40 EDAB COC(=O)c1cccn1C1CCN(CCN2C(=O)CCC2=O)CC1 75582102 UECLRBHSBRPXFX-UHFFFAOYSA-N 333.388 1.061 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2cccc(C(=O)N(C)C)c2)CC1 75602862 CMLYCXHMNHJBDP-OAHLLOKOSA-N 333.476 1.571 0 40 EDAB CCOC(=O)CCn1nc(-c2cnn(C)c2)cc1-c1cnn(C)c1 36611568 XGZTWMOELMIAJM-UHFFFAOYSA-N 328.376 1.637 0 40 EDAB C[C@H](NC(=O)N1CC[C@@H](CN(C)C)C1)C(=O)N1CCc2ccccc21 129839160 WVVNUTMGBZCOEA-GJZGRUSLSA-N 344.459 1.557 0 40 EDAB CC1(C)CN(S(=O)(=O)N2CCC[C@@H](C(C)(C)C(=O)O)C2)CCO1 517075595 VOLKPYMWFPJPFG-GFCCVEGCSA-N 348.465 1.165 0 40 EDAB CCn1cnc2c(c1=O)CCN(S(=O)(=O)c1cccs1)C2 189214942 RIYBMXDPGDLLGV-UHFFFAOYSA-N 325.415 1.072 0 40 EDAB O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cccc2ncnn12 526081742 PAIIDAIGSBNZNE-MRXNPFEDSA-N 335.411 1.981 0 40 EDAB C[C@@H]1CN(C)C[C@H](c2nc(-c3cccc(-n4cccn4)n3)no2)O1 527545494 VLZUFGHHXBMJLF-DGCLKSJQSA-N 326.360 1.709 0 40 EDAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OC(C)C)[C@@H]3C1=O 5817421 VTCRUVJPMOKWNC-YKTARERQSA-N 343.379 1.933 0 40 EDAB biogenic Cc1cc2c(N3CCN(C(=O)[C@@H]4CCCO4)CC3)ncnc2s1 31849801 BOFYAFKYFCCMAA-ZDUSSCGKSA-N 332.429 1.827 0 40 EDAB C[C@@H]1Cc2c(NC(=O)[C@H]3COc4ccccc4O3)nn(C)c2NC1=O 35597787 QLRJRKXFYFBVFW-NOZJJQNGSA-N 342.355 1.329 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C 78925664 FHCGIJYGRYFMDQ-HZPDHXFCSA-N 342.447 1.583 0 40 EDAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCCO 217460603 BQFWIXSGCXFMSK-SNVBAGLBSA-N 330.406 1.256 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(C(=O)C2(c3cccnc3)CCCC2)C1 567008938 UFRWLNHRJVHYRX-MRXNPFEDSA-N 342.443 1.910 0 40 EDAB CC(C)(C)N1C[C@H](NC(=O)CC2(n3cccc3)CCOCC2)CC1=O 1565524287 DXXFLNLOHYYAPS-OAHLLOKOSA-N 347.459 1.900 0 40 EDAB CC(C)CNC(=O)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 77680202 UVMFDXNZLDZROO-UHFFFAOYSA-N 346.475 1.928 0 40 EDAB CCn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)cn1 72241667 IDAJQYTWLICSHX-HZPDHXFCSA-N 346.362 1.579 0 40 EDAB COP(=O)(OC)[C@H](NCCC(=O)OCc1ccccc1)C(=O)O 217038489 AJYHWWNVFJYYJP-ZDUSSCGKSA-N 345.288 1.606 0 40 EDAB C[C@H](N)C(=O)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 79391348 NSCULTFJGXIHGV-STQMWFEESA-N 325.453 1.972 0 40 EDAB O=C1N[C@@]2(CCOC2)C(=O)N1Cc1cccc(Br)c1 89774414 IPOWXGOJLWKVDC-CYBMUJFWSA-N 325.162 1.660 0 40 EDAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCN(C)CC1 44883452 VEQHBYOLIKQWLU-AWEZNQCLSA-N 339.867 1.861 0 40 EDAB CCCCC(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224316742 LSBLXCKBCPANML-UHFFFAOYSA-N 333.436 1.152 0 40 EDAB COc1ccc([C@@H](O)CN2CCN(c3ccccn3)CC2)cc1OC 49420859 MKJRRPZSFWUCFZ-INIZCTEOSA-N 343.427 1.954 0 40 EDAB CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccnc(C)c2)CC1=O 195530215 DUPXHTQKKDPCOK-HOCLYGCPSA-N 330.432 1.661 0 40 EDAB COc1ccc2c(c1)C[C@H](NC[C@H]1CCCN1S(C)(=O)=O)CC2 90799331 IHQYZQHVERAUIX-HZPDHXFCSA-N 338.473 1.566 0 40 EDAB C[C@@H](CNC(=O)c1cnn[nH]1)Oc1ccccc1Br 96451760 WRYDPXBXFOISET-QMMMGPOBSA-N 325.166 1.765 0 40 EDAB Cn1nc(CNC2CCOCC2)c2c1CN(Cc1cccnc1)CC2 96255907 WOSUZOWJHNAUSV-UHFFFAOYSA-N 341.459 1.642 0 40 EDAB O=S(=O)(N[C@@H]1CCNC1)c1ccc(C(F)(F)F)cc1Cl 95467158 ACYFLKNUCOYKFC-MRVPVSSYSA-N 328.743 1.999 0 40 EDAB O=C(COC[C@@H]1C[C@@H]2OCCN(Cc3ccco3)[C@H]2C1)N1CCCC1 96250617 QWFUVKSXAADZAZ-SZMVWBNQSA-N 348.443 1.898 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)N1CCc2ccccc2[C@H]1CO 96475197 DXOLHXNNABONBK-GOSISDBHSA-N 342.443 1.881 0 40 EDAB C[C@H](NC(=O)[C@@H](C)n1cccn1)c1ccc(S(C)(=O)=O)c(F)c1 96425822 CCDFTKTZOREBKW-WDEREUQCSA-N 339.392 1.864 0 40 EDAB CC(C)C[C@@H]1COCCN1C(=O)NC[C@@H](c1cnn(C)c1)N(C)C 96410721 DLMCNSAZAHISCB-CVEARBPZSA-N 337.468 1.479 0 40 EDAB C[C@H]1CN=C(N2CCN(c3nnnn3-c3ccccc3)CC2)S1 96453741 SXNGHSZKANMPRQ-LBPRGKRZSA-N 329.433 1.276 0 40 EDAB O=S1(=O)N[C@@H]2CN(Cc3cccs3)C[C@@H]2Oc2ncccc21 514289395 JYQPUGVRFPWZCC-NEPJUHHUSA-N 337.426 1.067 0 40 EDAB biogenic,in-vitro Cc1cc(CN2C[C@@H]3CN(Cc4cnn(C)c4)CCO[C@@H]3C2)no1 96108113 CYKUVSIHFCHRKQ-DOTOQJQBSA-N 331.420 1.049 0 40 EDAB Cc1noc(C)c1CNC(=O)N[C@H](C)c1nnnn1-c1ccccc1 96406831 KAMNWGAUWVLXFI-LLVKDONJSA-N 341.375 1.828 0 40 EDAB Cc1ccccc1S(=O)(=O)N1CC[C@@]2(C[C@H](n3ccnc3)CO2)C1 96219691 IALOJYFQXSJLHM-DOTOQJQBSA-N 347.440 1.986 0 40 EDAB Nc1nccnc1C(=O)N1CCN(Cc2ccc(Cl)cn2)CC1 96502488 NABABBHGNDTZFY-UHFFFAOYSA-N 332.795 1.065 0 40 EDAB O=c1ccc2c(n1Cc1cccnc1)CCN(C[C@@H]1CCOC1)CC2 96196711 XTNWOOJVTRDSET-KRWDZBQOSA-N 339.439 1.729 0 40 EDAB COC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@]1(C)O 239274848 ATCJCEAMUVLFLX-RBOXIYTFSA-N 336.775 1.997 0 40 EDAB Cc1ccc(F)c(-n2nnnc2C[S@@](=O)C[C@@H]2CCCCO2)c1 96452478 SWOBRBHQAIFLKN-DAOPMYJZSA-N 338.408 1.928 0 40 EDAB c1nnc(N2CCOC[C@]3(CCCN(C4CCOCC4)C3)C2)s1 96229274 CMKFNNZDIBHUFD-INIZCTEOSA-N 338.477 1.636 0 40 EDAB Cc1ccc2c(O)c(C(=O)N3C[C@@H](C(=O)O)C[C@@H](C)C3)cnc2n1 581726404 LTMSHZBMAYIVQM-KOLCDFICSA-N 329.356 1.827 0 40 EDAB Cn1nccc1C(=O)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 248068762 WWORUPZIEYADDD-CYBMUJFWSA-N 328.372 1.268 0 40 EDAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@]2(COC)C(=O)O)cc1 242522181 IKRLAWHJHXNVRB-IJEWVQPXSA-N 326.414 1.867 0 40 EDAB O=C1N[C@@]2(C[C@H]3CC[C@H]2N3C(=O)Cc2cccnc2)Nc2ccccc21 247876999 UJEGTNAPYZYEBO-WIBUTAKZSA-N 348.406 1.939 0 40 EDAB COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)[C@H](C)C1CC1 585088191 OHIQALIBQYCTFZ-FOGDFJRCSA-N 328.434 1.002 0 40 EDAB CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H](N3CCN(C)CC3)C2)cs1 257301114 RXASZVDEVWSOIB-HUUCEWRRSA-N 337.489 1.304 0 40 EDAB CN(C)C(=O)c1cc([C@H]2CCN(C(=O)c3ccc(F)cc3)C2)n[nH]1 257224218 FAUMNZMRLKCPTJ-LBPRGKRZSA-N 330.363 1.880 0 40 EDAB CC[C@@H](C)CN1CCN(CCNS(=O)(=O)c2ccccc2)CC1 585133321 FPYCLUNCAHBBLC-MRXNPFEDSA-N 339.505 1.629 0 40 EDAB COc1cc(C(=O)N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)sn1 585129994 DRAKLNALVNDDMC-NEPJUHHUSA-N 325.434 1.381 0 40 EDAB Cc1nc2ccccn2c1CC(=O)N1CCOC[C@H]1c1ccn[nH]1 257320448 VWWBQSLDZQELTP-HNNXBMFYSA-N 325.372 1.508 0 40 EDAB COCC(=O)N1CC[C@@H](c2c(C(=O)N(C)C)sc3nccnc23)C1 257239436 HPGOJWHKAGLJLD-SNVBAGLBSA-N 348.428 1.355 0 40 EDAB CN1CCN(C2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccccc1 257280841 OMQFXLVFCFAJRG-KRWDZBQOSA-N 337.489 1.399 0 40 EDAB O=C(Cc1cccnc1)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 257283878 PAGYVXNBNGETRB-RTBURBONSA-N 337.423 1.254 0 40 EDAB NC(=O)c1cc(C[C@H]2CCCN(C(=O)C3CCOCC3)CC2)ncn1 257297284 RGQPDSISRWEBID-ZDUSSCGKSA-N 346.431 1.173 0 40 EDAB CC(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCOCC2)n1 604382673 YOIKGZKBCVULBD-BRSBDYLESA-N 349.475 1.269 0 40 EDAB biogenic,in-vitro CO[C@H]1CCCOC12CCN(C(=O)C1CCN(C(C)=O)CC1)CC2 257271433 MYHWWSYETPQJQK-INIZCTEOSA-N 338.448 1.432 0 40 EDAB N[C@]12CCC[C@@H]1CN(C(=O)C1(n3cc(Br)cn3)CC1)C2 1615549087 VBPARDQCTZKEQN-MFKMUULPSA-N 339.237 1.475 0 40 EDAB CC1(C)NC(=O)N(CCCOc2ccc([S@](C)(=N)=O)cc2)C1=O 1615587237 CONFHFYMFFYAKP-HSZRJFAPSA-N 339.417 1.821 0 40 EDAB O=C(NC[C@@H]1COC[C@@H]1O)c1ccnc(OCc2ccccc2)c1 1616038690 OBYQWGTUPZSLNZ-CVEARBPZSA-N 328.368 1.398 0 40 EDAB C[C@H](O)CCNc1nc2ccc(Br)cc2c(=O)n1C 1616037255 DSZXPVDDIPDOLH-QMMMGPOBSA-N 326.194 1.879 0 40 EDAB COC(=O)[C@H]1CCn2c(nnc2C(=O)Nc2ccc(C)c(C)c2)C1 601045627 XNPNAXJKQAKGTN-LBPRGKRZSA-N 328.372 1.883 0 40 EDAB CCN(C1CCN(C(=O)[C@@H]2Cc3ccccc32)CC1)S(C)(=O)=O 607904528 GOUXAOQCBIKDHI-MRXNPFEDSA-N 336.457 1.599 0 40 EDAB Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H](C)C(=O)O 647194217 DMUPAQPPXPQZOG-DLOVCJGASA-N 343.424 1.543 0 40 EDAB CN(C)c1nc(CNC(=O)Cc2ccccc2F)nc(N(C)C)n1 575604029 OOVADOAOALDJSC-UHFFFAOYSA-N 332.383 1.002 0 40 EDAB CCN1CC[C@@]2(CN(C(=O)Cc3nc(C)no3)CC(F)(F)C2)C1=O 585093246 LJRMCWXHKIQMMH-CQSZACIVSA-N 342.346 1.027 0 40 EDAB CC(C)CCNC[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O 585289875 LSCOLNFVNOXIKO-HKUYNNGSSA-N 334.460 1.189 0 40 EDAB C[C@@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)C1CCC1 585096294 GHQADZDYGPOJEE-GFCCVEGCSA-N 330.432 1.655 0 40 EDAB CNc1ncc(CN2CC[C@H](O)[C@H](Cc3ccccc3F)C2)cn1 585275961 HCUBRZIPJRAHEG-WBVHZDCISA-N 330.407 2.083 0 40 EDAB Cn1ccnc1CN1CCC[C@@]2(C1)CN(Cc1cncs1)C2=O 585099282 BCHXAHFMSBBSJS-MRXNPFEDSA-N 331.445 1.501 0 40 EDAB O=C(CCn1ccnc1)N1CC[C@H](Cc2ccccc2F)[C@H](O)C1 585278403 DJMAREPUFRICSR-NVXWUHKLSA-N 331.391 1.864 0 40 EDAB COCC(=O)NCC[C@@H]1CN(Cc2cccs2)Cc2ccnn21 585111772 BOOSLRONIUXODG-CYBMUJFWSA-N 334.445 1.654 0 40 EDAB CCOC(=O)[C@]1(NC(=O)CNC(=O)[C@@H](C)CC)CCc2ccccc21 72283333 MAPHDCKBJYKODN-DJJJIMSYSA-N 346.427 1.670 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3ccnc(N(C)C)c3)C2)n1 72235455 UZOGNAOGICIUPN-HNNXBMFYSA-N 328.420 1.833 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCN(C(C)C)C(=O)C2)c(C)c1 74767859 CJUYOXQVGADPQE-UHFFFAOYSA-N 340.445 1.553 0 40 EDAB C[C@H](C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)n1cnnn1 1565519283 ZIDVYWLJGAKPTK-LLVKDONJSA-N 335.795 1.398 0 40 EDAB CC(=O)N(C)c1nc(CN2CCO[C@H](c3nc(C)n[nH]3)C2)cs1 76048962 SFXSTPVJTNYMHY-LBPRGKRZSA-N 336.421 1.126 0 40 EDAB CSCC[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O 1678288 JXQGLWUIDPXMHD-GFCCVEGCSA-N 340.401 1.235 0 40 EDAB COC(=O)CCN1CCN(C(=O)C(=O)c2ccc(C)cc2)[C@H](C)C1 91630794 XFTUJJPXKXMNPE-CQSZACIVSA-N 332.400 1.274 0 40 EDAB CNC(=O)c1ccc(N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)nn1 583615978 ZASAJMRUVCZITF-YGRLFVJLSA-N 334.326 1.427 0 40 EDAB CC(C)Oc1nccnc1N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 583616882 QSWJBUPMSXOVCW-KRWDZBQOSA-N 346.435 1.924 0 40 EDAB CCOC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](C(=O)N(C)C)C1 584904598 NAEYFIRCUONDOD-UTUOFQBUSA-N 328.409 1.557 0 40 EDAB O=C(O)CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 5003932 PBFJLSHCLMTPQX-KAMYIIQDSA-N 328.324 1.641 0 40 EDAB O=C1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)[C@H](c2cccnc2)N1 12147990 QYPYMRNGDZNALI-GUYCJALGSA-N 339.351 1.560 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 14093777 HMECISQLRDOYKJ-GFCCVEGCSA-N 326.418 1.236 0 40 EDAB NS(=O)(=O)c1ccc(CCC(=O)NCCc2ccccc2)cc1 17357478 WVEVFPSHURDCHB-UHFFFAOYSA-N 332.425 1.626 0 40 EDAB Cc1nc2n(n1)C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 156418430 YBEQLLDJXKEKPM-KBPBESRZSA-N 335.452 1.890 0 40 EDAB COc1cncc(O[C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)n1 225394457 CJHOJMMVGKJFSO-GFCCVEGCSA-N 332.360 1.312 0 40 EDAB CNc1cccc(C(=O)N2CC[C@](O)(COc3ccc(F)cc3)C2)n1 643576831 GWDSFYYSPTYZAR-GOSISDBHSA-N 345.374 1.918 0 40 EDAB CC(=O)N1C[C@H](NS(=O)(=O)CC2CC2)CC[C@@H]1C(F)(F)F 583616403 NWOWZRRLDGJVHJ-GHMZBOCLSA-N 328.356 1.258 0 40 EDAB O=C(CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O)NCCC1=CCCCC1 583614694 DUMSEKXDABUPJJ-RCCFBDPRSA-N 336.476 1.855 0 40 EDAB Cn1nc2c(c1CN1CCO[C@H](C(=O)N3CCCCC3)C1)CCCC2 1888850129 TUOAWDILNJZFJD-SFHVURJKSA-N 346.475 1.512 0 40 EDAB O=C(c1ccccc1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888906792 AETVIIYBKOZXOD-GJZGRUSLSA-N 334.383 1.333 0 40 EDAB CCc1ncnc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)c1F 1889102705 XIFDHVXQMXQNIH-GFCCVEGCSA-N 338.452 1.970 0 40 EDAB c1cnn(-c2ccc(N3CCN(c4ccn5nccc5n4)CC3)nn2)c1 1889205846 XCOAASXYBXFXBE-UHFFFAOYSA-N 347.386 1.032 0 40 EDAB CNc1cc(N2CC[C@@](O)(CNC(=O)CCC3CCCC3)C2)ncn1 1848356279 NPCNGBTXINXRHC-GOSISDBHSA-N 347.463 1.546 0 40 EDAB O=C1CO[C@H]2CCN(C3CCOCC3)C[C@@H]2CN1c1ccccc1 2037985710 SUANEQRVOOLQHS-QAPCUYQASA-N 330.428 1.919 0 40 EDAB CC(=O)Nc1cccc(C(=O)NCCn2ccc3ccoc3c2=O)c1 253408820 YTLOOECATZTTTD-UHFFFAOYSA-N 339.351 1.983 0 40 EDAB COc1cnc(O[C@@H]2CCN(CC(=O)Nc3cccc(C)c3)C2)nc1 2087067212 YJGSJBBPMASOOV-OAHLLOKOSA-N 342.399 1.885 0 40 EDAB C[C@@]1(C(=O)N2C[C@H]3ON=C(C(=O)N4CCCC4)[C@H]3C2)CC=CCC1 1565545256 YNLHABIMCFELDN-PMUMKWKESA-N 331.416 1.568 0 40 EDAB CC(C)CN1C(=O)[C@@](NC(=O)c2ccco2)(C(F)(F)F)N=C1O 2211236 CGVJGVZVCFPSHW-LBPRGKRZSA-N 333.266 1.680 0 40 EDAB COc1ccc(OCc2nn3c(=O)c4ccccc4nc3n2N)cc1 10433804 VXAZRBDMNGHRSD-UHFFFAOYSA-N 337.339 1.346 0 40 EDAB O=c1[nH]c2ccccc2c(=O)n1CCc1nc(-c2ccncc2)no1 16844322 VEYUFFGKKGUDBU-UHFFFAOYSA-N 335.323 1.378 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)C2CC2)C1 2055746488 NHHPWIXXJGZHNU-ARFHVFGLSA-N 329.400 1.114 0 40 EDAB CCc1ccc(S(=O)(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)cc1 206961642 QLOTUOAKVYVRIV-UHFFFAOYSA-N 349.408 1.963 0 40 EDAB CSC[C@@](C)(O)CNC(=O)CCc1ccc(S(C)(=O)=O)cc1 225621490 IXWDOUSHRYCEKC-HNNXBMFYSA-N 345.486 1.253 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CC[C@H](Oc3ncccn3)C2)c1 575611153 UYKLFJFYHQNUME-LBPRGKRZSA-N 337.405 1.096 0 40 EDAB Cc1nnsc1C(=O)NCc1nc(C2CCSCC2)no1 575615816 GLFJYSDYDIIOPN-UHFFFAOYSA-N 325.419 1.770 0 40 EDAB Cc1cnc(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)cn1 225783311 PBVAZTWRBPCOMB-UHFFFAOYSA-N 339.330 1.131 0 40 EDAB Cc1nc(CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)no1 2298188594 FPJHGXCSMXPOAF-GFCCVEGCSA-N 328.363 1.848 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CC(c2nnc3ccccn23)C1 2298236496 GQEPSICEKCWMMV-UHFFFAOYSA-N 333.373 1.122 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccccc2S(=O)(=O)C(C)C)CC1 32644994 QBOZZTTXRGKRGC-UHFFFAOYSA-N 338.429 1.173 0 40 EDAB CCn1nc(NC(=O)NCCO)c2c(C)nc(-c3ccccc3)nc21 40288199 HBQLDKRNIKSVEY-UHFFFAOYSA-N 340.387 1.935 0 40 EDAB COC(=O)[C@@H]1CCCCN1C(=O)[C@H]1COc2cc(OC)ccc2C1 50606945 AAZKOIHVJCVYLZ-HIFRSBDPSA-N 333.384 1.800 0 40 EDAB CN(C)c1nc(N)nc(CN2CCN(c3cccc(Cl)c3)CC2)n1 40477271 CQJQOOKLLAWCRP-UHFFFAOYSA-N 347.854 1.495 0 40 EDAB CC(C)c1noc(CCC(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)n1 40514114 VWJJSPLBHRVAHU-BFHYXJOUSA-N 338.452 1.740 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)COc2ccc(F)cc2Br)C1 41127363 VEGVORZPAODJJB-MRVPVSSYSA-N 345.168 1.301 0 40 EDAB CS(=O)(=O)Nc1cccc(NC(=O)COCC(F)(F)F)c1 32930967 IAIJTOOOBTYJHM-UHFFFAOYSA-N 326.296 1.576 0 40 EDAB Cc1cccc(C)c1N(CC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O 331640 YJTABUYUFIJLRP-AWEZNQCLSA-N 340.445 1.365 0 40 EDAB CCc1nc([C@@H]2CCCN2CCN2C(=O)NC3(CCCC3)C2=O)no1 76040225 KUIMCYGMNNBUPV-LBPRGKRZSA-N 347.419 1.634 0 40 EDAB COc1ccc(F)cc1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 76713853 QCCDFBIPXMNRNQ-GFCCVEGCSA-N 344.408 1.378 0 40 EDAB O=C(c1csc(-c2cnccn2)n1)N1CC[C@H](N2CCCC2)C1 77326822 GVKITEXDMMGOHN-LBPRGKRZSA-N 329.429 1.910 0 40 EDAB CC1(C)[C@H]2CC=C(CN3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)O)[C@H]5C3=O)[C@@H]1C2 3881887 KFWIQRFOCDYDRG-PLJDJVMKSA-N 329.396 1.845 0 40 EDAB biogenic COc1ccccc1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 41618531 NTDRZVJHYJBPCD-GFCCVEGCSA-N 326.418 1.097 0 40 EDAB CNC(=O)NC(=O)CCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 53232309 BPSDXFKEMXYMSX-HNNXBMFYSA-N 337.395 1.652 0 40 EDAB CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 41838148 SNBLZPWEJOSUMP-RDVIWEACSA-N 342.505 1.989 0 40 EDAB COC(=O)C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1 6733524 VTPONXILNBKQOR-ILXRZTDVSA-N 345.399 1.893 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)c1cc(C)n(C(C)(C)C)n1)CC2 97198969 BDUGLUHPPFNADO-GFCCVEGCSA-N 330.436 1.845 0 40 EDAB Cc1nn(CCO)c(C)c1CNCc1ccnc(-n2cccn2)c1 97159859 HZXYKKVJYRJZBH-UHFFFAOYSA-N 326.404 1.363 0 40 EDAB Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 7468397 FCWPNJQPBIIITR-UHFFFAOYSA-N 325.368 1.994 0 40 EDAB O=C1NC(=O)C(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)C(=O)N1 103501970 QLSXHLLSSXHCCR-HNNXBMFYSA-N 338.319 1.358 0 40 EDAB Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccncc1 779259 KDKSNFUHMXYTJV-UHFFFAOYSA-N 329.385 1.879 0 40 EDAB CCCc1cc(C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cs1 102602222 GOQSIEOMOYVZKK-LPWJVIDDSA-N 334.397 1.508 0 40 EDAB O=C(CN1CCC(O)CC1)N[C@@H](c1ccccc1)c1nccs1 104095950 DIROIZOOYMYWRT-INIZCTEOSA-N 331.441 1.805 0 40 EDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccccc1C(=O)N1CCOCC1 61721226 SNGNUFKTIZWXLW-KBPBESRZSA-N 346.383 1.454 0 40 EDAB Cn1ccc(CN2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1=O 54202859 WSWLZFILNUUXHZ-HNNXBMFYSA-N 326.400 1.631 0 40 EDAB COc1ccc(/C=C2/NC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC 105327901 YGYWXVNGGTVCJL-FMNNIJNLSA-N 348.424 1.940 0 40 EDAB Cc1ccc(NC(=O)c2ccc[nH]c2=O)cc1S(=O)(=O)N(C)C 23321736 PKMMTLMIOJDWLL-UHFFFAOYSA-N 335.385 1.186 0 40 EDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 101486790 HOHXUPJXAPUKSF-LALPHHSUSA-N 336.413 1.886 0 40 EDAB COCCCNC(=O)CSc1ccc(C(=O)N2CCCC2)cn1 42760839 HRRRSNFCXDQICU-UHFFFAOYSA-N 337.445 1.562 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CC(=O)N(C)c2ccccc21 24729063 SMZNPGGIBPRDGK-UONOGXRCSA-N 332.400 1.841 0 40 EDAB CCNC(=O)CC[S@](=O)Cc1nnnn1-c1c(C)cccc1C 83954624 TTYNGQPTYVHRKF-HSZRJFAPSA-N 335.433 1.054 0 40 EDAB CC(C)CCN1CC(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 55408465 BFETVQZEVLGABO-JKSUJKDBSA-N 336.457 1.547 0 40 EDAB Cc1nc(COc2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)no1 25049436 NOLPQEQQFJEEQM-UHFFFAOYSA-N 341.371 1.963 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)o2)cc1 25011945 VATNUPSAEOQAJB-UHFFFAOYSA-N 328.777 1.553 0 40 EDAB COCCN1CCN([C@H](C)C(=O)NCCc2ccccc2C)C[C@@H]1C 106776706 URGHMUGIDJCBKP-ZWKOTPCHSA-N 347.503 1.695 0 40 EDAB O=C(CN1CCN(C(=O)c2ccccn2)CC1)Nc1cccc(F)c1 34858314 HNHZBDQZFSDMOI-UHFFFAOYSA-N 342.374 1.617 0 40 EDAB COC(=O)C[C@@H](NC(=O)C(=O)Nc1cc(C)on1)c1cccs1 47969648 SCYSFVVWUCZQGO-SECBINFHSA-N 337.357 1.404 0 40 EDAB COCCn1nc(C(=O)NCC2(c3ccccc3)CC2)ccc1=O 25324967 SAZXPDWQAPZNGL-UHFFFAOYSA-N 327.384 1.351 0 40 EDAB C[C@H](C(=O)NCCCn1ccnc1)n1cc(Br)cn1 28224467 IXUYCMJBJDUWRD-SNVBAGLBSA-N 326.198 1.610 0 40 EDAB CC(C)NC(=O)CNC(=O)NCCNc1ncc(Cl)cc1Cl 43885762 MSUCPJQMQHUJKP-UHFFFAOYSA-N 348.234 1.624 0 40 EDAB COc1cc([C@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc2c1OCO2 35326568 QSDBBWDFTGPXMH-CYBMUJFWSA-N 341.323 1.824 0 40 EDAB CCOC(=O)C1=CN/C(=C(\C)C(=O)OC)S[C@@H]1C(=O)OCC 104317691 CDSGPNSMBUWSBF-DFYQSJSGSA-N 329.374 1.106 0 40 EDAB Cn1c(=O)c2[nH]c(SCc3csc(C4CC4)n3)nc2n(C)c1=O 104321078 CSBCLCVASQLLLY-UHFFFAOYSA-N 349.441 1.587 0 40 EDAB COc1ccc(Cl)cc1C1(CNS(C)(=O)=O)CCOCC1 58023199 IJEABENZGGPVGM-UHFFFAOYSA-N 333.837 1.946 0 40 EDAB Nn1c(SCC(=O)NC2CCCCCC2)nnc1C(F)(F)F 3318186 XCTOTVLWZUWNCE-UHFFFAOYSA-N 337.371 1.942 0 40 EDAB O=C(NCCOc1cccc(F)c1)c1cnc2n(c1=O)CCS2 27715918 XNWLNQXKYLWKCB-UHFFFAOYSA-N 335.360 1.297 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCCc2c1cnn2C 58412693 JMIQREBRPBVBMI-MRXNPFEDSA-N 344.463 1.466 0 40 EDAB CC[C@H]1CCCCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 36316785 ULQVORMONCSMKR-ZDUSSCGKSA-N 325.434 1.537 0 40 EDAB CN(CCN(C)C1CCCCC1)C(=O)c1ccc(OCC(N)=O)cc1 63771760 TYXCXKRJXMOHOL-UHFFFAOYSA-N 347.459 1.887 0 40 EDAB COC(=O)C1CCN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 12776311 ZKJCOKRVMHUTGW-JTQLQIEISA-N 346.387 1.068 0 40 EDAB COc1cccc([C@H](NC(=O)c2cnn(C)c2)c2nccn2C)c1 29095232 SOLPCWOEOFYZAT-HNNXBMFYSA-N 325.372 1.682 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NCc1ccnc(N2CCCC2)c1 48342244 YEROYJZPYSXRRF-CQSZACIVSA-N 328.420 1.766 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc3nsnc23)C1=O 19078295 IUHXJAIVVSJREB-AWEZNQCLSA-N 333.373 1.350 0 40 EDAB CC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H](C)S(C)(=O)=O 110631068 FYRODDTVCHCFIZ-GOEBONIOSA-N 338.473 1.543 0 40 EDAB CCCN1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)CC1 13183399 PESLWUZNTFCPMK-UHFFFAOYSA-N 344.408 1.677 0 40 EDAB COC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(N2CCNC2=O)cc1 63267725 LZGZQVGFXVICAU-CQSZACIVSA-N 348.403 1.925 0 40 EDAB CN(CCCNC(=O)NCc1cccc(C(N)=O)c1)CC(F)(F)F 71934315 RSLKBJBZFDFTOF-UHFFFAOYSA-N 346.353 1.469 0 40 EDAB COC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2c1CCC2 13826113 OYMCSHVCLVJAIC-UHFFFAOYSA-N 339.486 1.968 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NCc1ccc(N2CCCC2=O)cc1 65443507 PBWHAGKCJYOXFH-CQSZACIVSA-N 341.415 1.898 0 40 EDAB Cc1cccc(CN2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)c1 65498316 WVYQHHMTUWVBGD-UHFFFAOYSA-N 340.427 1.653 0 40 EDAB COc1cc(C(=O)N[C@@H]2CCc3nccn3C2)cc2c1OCCO2 65463153 YTRURDDMPNVYDF-GFCCVEGCSA-N 329.356 1.408 0 40 EDAB C[C@@H]1CC=CC[C@@H]1COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 71860621 DPCVJLRPCHPZFT-VXGBXAGGSA-N 343.383 1.391 0 40 EDAB C[C@H]1CN(C(=O)CSc2nnc(-c3cccnc3)n2C)C[C@H](C)O1 14093957 ZNVBVOZBTDQHEU-RYUDHWBXSA-N 347.444 1.605 0 40 EDAB CCOCCO[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(C)o2)CC1 65588244 OXWIJAWCIVOSCH-AWEZNQCLSA-N 338.404 1.314 0 40 EDAB CC(C)[C@@H](C(=O)N1CCN(Cc2ccccn2)CC1)n1cncn1 65513975 XIKGLHGRQPEZKB-INIZCTEOSA-N 328.420 1.215 0 40 EDAB Cc1ccc(NC(=O)C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cc1F 65621583 FDDBEGGSQPEYEJ-AWEZNQCLSA-N 349.406 1.836 0 40 EDAB NC(=O)c1cc(NS(=O)(=O)/C=C/c2ccccc2)cc(C(N)=O)c1 6507449 QKLQDVMLJWDRRE-VOTSOKGWSA-N 345.380 1.297 0 40 EDAB Cn1nc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)ccc1=O 15998640 FIHSHRIWZUCHMX-UHFFFAOYSA-N 343.311 1.029 0 40 EDAB CC(C)CN(C(=O)CSc1nccn1C)[C@@H]1CCS(=O)(=O)C1 7738716 CMKQQWZDGPHUFZ-GFCCVEGCSA-N 345.490 1.184 0 40 EDAB COc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1 8050283 MYVWCXGDOJKCQQ-UHFFFAOYSA-N 336.399 1.998 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 8234607 YTKPMPVTKGMKAG-KBPBESRZSA-N 336.432 1.579 0 40 EDAB CC(=O)NCCCOC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 70010190 YICMRIYRMRJMAM-AWEZNQCLSA-N 326.299 1.527 0 40 EDAB COCc1cccc(NC(=O)C(=O)NCc2cn3c(n2)CCCC3)c1 69349567 PNDQEJZSXUDNGA-UHFFFAOYSA-N 342.399 1.621 0 40 EDAB O[C@H](COCc1ccccc1F)CN1CCO[C@H](Cn2cccn2)C1 69417977 FJZYFCBJPJFRAB-IRXDYDNUSA-N 349.406 1.301 0 40 EDAB CCN1CCN(C(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)CC1 69590714 CVKGIFWUXWSQMT-MRXNPFEDSA-N 330.432 1.847 0 40 EDAB COc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)cc1 69599856 WIVNQOXXCLMKSB-DLBZAZTESA-N 338.473 1.436 0 40 EDAB COCc1nc2n(n1)C[C@@H](Nc1ccc(OC(F)F)cn1)CC2 91739621 WQMPWSNWFNLPJC-VIFPVBQESA-N 325.319 1.848 0 40 EDAB CNS(=O)(=O)CC(=O)NCc1cc2c(s1)CCC(C)(C)C2 83616672 IFTQZSAQBFWCNQ-UHFFFAOYSA-N 330.475 1.428 0 40 EDAB Cc1nc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)oc1C 96420695 ZWVJIFRBAZQFJW-MRXNPFEDSA-N 329.400 1.809 0 40 EDAB COCCN1CCN([C@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 69951602 YONMRBWURSKHEC-GFCCVEGCSA-N 326.466 1.351 0 40 EDAB Cc1nccn1CCCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1 71847746 BWVJWVSFWQWAND-KRWDZBQOSA-N 340.427 1.889 0 40 EDAB Cc1cc(S(=O)(=O)N2CC[C@H](CN)C2)sc1Br 94541382 KHBFLTAVLQCJIC-MRVPVSSYSA-N 339.280 1.788 0 40 EDAB COc1c([C@H]2CCCN2CC(=O)NCc2ccccn2)c(C)nn1C 72253808 SOEKHFKGCVMVAE-OAHLLOKOSA-N 343.431 1.585 0 40 EDAB CN(C)[C@H]1CCCN(C(=O)NC2CCN(c3ccccn3)CC2)C1 72274221 WQPOJZCJQVWCTA-INIZCTEOSA-N 331.464 1.786 0 40 EDAB Cc1nc2n(n1)C[C@H](NCc1ccc(C(=O)N3CCCC3)cc1)CC2 72268050 FDIYJACECHRXQT-QGZVFWFLSA-N 339.443 1.927 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 97271239 YCFOYJQGMLIXKN-DLBZAZTESA-N 345.420 1.619 0 40 EDAB NC(=O)[C@H]1CN(C(=O)NCC2(c3ccc(F)cc3)CCC2)CCO1 84393158 WGJAQOLLEMVXHY-CQSZACIVSA-N 335.379 1.143 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)N1CCc2c(ncn2C2CC2)C1 95393736 ANUNBPRQYHZZQF-INIZCTEOSA-N 330.432 1.894 0 40 EDAB FC(F)(F)c1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)n2ncnc2n1 95458041 FUNFSTNGGWVOPN-ZANVPECISA-N 343.309 1.893 0 40 EDAB Cn1cc(CN2CCN([C@H](CO)c3cccc(Cl)c3)CC2)cn1 95415883 BFOWBLIKJBANEY-QGZVFWFLSA-N 334.851 1.925 0 40 EDAB CC(C)S(=O)(=O)CCN1CCC[C@@H](C(=O)NC2CCCCC2)C1 95408389 MFLRZXVRURSRNZ-OAHLLOKOSA-N 344.521 1.971 0 40 EDAB Cc1nnnn1Cc1csc(CC(=O)NCc2ccccc2)n1 95993794 ZVUQAARBDQWKNF-UHFFFAOYSA-N 328.401 1.345 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCC1(O)CCC1 74480350 BICQAUJLJYOUOF-INIZCTEOSA-N 346.475 1.411 0 40 EDAB O=C(NCc1cc[nH]n1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 75126349 JVSGCQURXSVYNB-ZDUSSCGKSA-N 342.355 1.059 0 40 EDAB Cc1ccc([C@H](C)NC(=O)NCCCN2CCC(C(N)=O)CC2)o1 89652432 CNFHLDTUZKQROG-ZDUSSCGKSA-N 336.436 1.536 0 40 EDAB COc1ccc([C@H](C)NC(=O)[C@@H]2CNC(=O)N2)cc1Br 89904652 DDNUFEPXADSGRR-XVKPBYJWSA-N 342.193 1.316 0 40 EDAB CN1CCN([C@H](c2ccccc2F)c2nnnn2C(C)(C)C)CC1 20139711 BLRZRVKUWYKGBO-OAHLLOKOSA-N 332.427 1.904 0 40 EDAB CN(C(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1cnn(C)c1 175231395 UODKIRMYGHDKAU-MRXNPFEDSA-N 332.379 1.596 0 40 EDAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2N[C@H]3CCCC[C@H]3NC2=O)cc1 35999551 WSNLIHQOCSPKGG-XHSDSOJGSA-N 344.415 1.373 0 40 EDAB Cc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C1=O 409299894 SUQJLOLSICDJSD-ZUMXRPEOSA-N 327.336 1.181 0 40 EDAB COC(=O)c1ccc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1 524731181 MUJJSVQIMJFMOR-CYBMUJFWSA-N 327.336 1.921 0 40 EDAB biogenic Cc1cnn(CCC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)c1 78930690 CXPFTOJBFFIAFB-CQSZACIVSA-N 336.461 1.148 0 40 EDAB Cc1cc(-c2cnc(N3CCNC(=O)C3)nc2-c2ccc(C)o2)on1 72340120 COQQMOGSYCZCMX-UHFFFAOYSA-N 339.355 1.945 0 40 EDAB COC(=O)CCCS(=O)(=O)N1CCN(c2cccs2)CC1 127514506 MURNFCZXAPZMOZ-UHFFFAOYSA-N 332.447 1.153 0 40 EDAB CS(=O)(=O)c1ccccc1NC(=O)N[C@@H](CO)c1ccccc1 79143958 WBANVOOFEOWHED-AWEZNQCLSA-N 334.397 1.945 0 40 EDAB CCN(C(=O)N[C@H](C)Cn1nc(C)cc1C)[C@@H](C)CS(C)(=O)=O 79036190 RBGQTJNXCCCTJM-OCCSQVGLSA-N 344.481 1.353 0 40 EDAB C[C@@H](NC(=O)N1CC[C@H](CN(C)C)C1)C(=O)N1CCc2ccccc21 129838949 WVVNUTMGBZCOEA-HUUCEWRRSA-N 344.459 1.557 0 40 EDAB COC(=O)c1cccc(NC(=S)NCCN2CCCC2=O)c1C 225812094 OLSLSKJIZZSYGN-UHFFFAOYSA-N 335.429 1.690 0 40 EDAB CS[C@H]1CC[C@@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C1 81466930 NJTIYJDUPXBTIP-CVEARBPZSA-N 348.516 1.994 0 40 EDAB Cc1noc(-c2cn(CCNC(=O)c3c(F)cccc3F)nn2)n1 225583963 QIDVLMZJZFHNHX-UHFFFAOYSA-N 334.286 1.345 0 40 EDAB CN(C)[C@H](CNC(=O)c1cc(C(=O)O)n(-c2ccccc2)n1)C1CC1 569239832 ADQNQZKDQDQYKY-MRXNPFEDSA-N 342.399 1.641 0 40 EDAB CCC[C@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1 225957271 WPPRPUUGNLICPP-SWLSCSKDSA-N 342.461 1.980 0 40 EDAB CO[C@@H](C)CS(=O)(=O)N1CCN([C@@H](C)c2ccsc2)CC1 195454906 DGZMTRAUUPEETP-STQMWFEESA-N 332.491 1.791 0 40 EDAB CC(C)(C)OC(=O)N1CC(NCc2nncn2-c2ccccc2)C1 97103847 BLYTUSBAXDMFHA-UHFFFAOYSA-N 329.404 1.976 0 40 EDAB CCN1C[C@H](COCC2CC2)[C@]2(CCN(C(=O)c3ccn(C)n3)C2)C1 96209762 MBLDVDLWEYABPR-VQIMIIECSA-N 346.475 1.631 0 40 EDAB Cc1occc1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C 583619559 QMSJSMAWNOZVQY-CZUORRHYSA-N 328.372 1.556 0 40 EDAB CN1C[C@@H](C(=O)N(C)Cc2ncc(Cl)n2C)[C@H](C(F)(F)F)C1 583620201 WMTKLDPHGGAFHU-RKDXNWHRSA-N 338.761 1.772 0 40 EDAB CN(C)C(=O)COCc1cncc2c1CCN(Cc1ccccn1)C2 96189385 ZFGNBRZYVSVFQH-UHFFFAOYSA-N 340.427 1.640 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@]3(CC[C@@H](CN(C)C)O3)C2)cn1 96063318 ZNYRQQZCGHHIOG-WMZOPIPTSA-N 333.432 1.342 0 40 EDAB CS(=O)(=O)NCCN1CCSC[C@H]1c1ccc(Cl)cc1 96407686 ZZAHCWGKNLUXDZ-ZDUSSCGKSA-N 334.894 1.979 0 40 EDAB Cc1nc(N)nc(N2CCC[C@H](c3ccncn3)C2)c1CCC(=O)O 95374898 SVBVTXLMHSUXBA-LBPRGKRZSA-N 342.403 1.558 0 40 EDAB Cn1cccc1[C@@H]1COCCN1Cc1cc(=O)n2ccsc2n1 97379613 PJVPUTMEWQAXOS-AWEZNQCLSA-N 330.413 1.668 0 40 EDAB Cc1c(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)cnn1C 96181099 RKVSSYLSGCTDTB-DOMZBBRYSA-N 332.429 1.626 0 40 EDAB COC[C@@H]1CC2(CCN(Cc3ccco3)CC2)CN1S(C)(=O)=O 96216897 JQHDVINLPZTNRR-AWEZNQCLSA-N 342.461 1.542 0 40 EDAB O=C(Cn1cccn1)N[C@H]1CCN(c2ccccc2OC(F)F)C1 96408179 DAYYSXOTJZXHOU-LBPRGKRZSA-N 336.342 1.880 0 40 EDAB O=C(NCc1cccs1)[C@H]1CO[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96219454 BJYGPKBNSJOEIX-IXDOHACOSA-N 343.452 1.906 0 40 EDAB Cc1cc(C(=O)N[C@@H](C)CCN2CCOCC2)ccc1-n1cncn1 96426494 BTTTYGIRLPEKML-HNNXBMFYSA-N 343.431 1.416 0 40 EDAB NC(=O)CN1CCCN(C(=O)/C=C/c2ccnc3ccccc23)CC1 96410116 WHXQJWUAVCBTLG-VOTSOKGWSA-N 338.411 1.268 0 40 EDAB O=C([C@H]1CN(Cc2ccncc2)CC12CCOCC2)N1CCOCC1 96052225 RLOHYVASXFANKC-QGZVFWFLSA-N 345.443 1.169 0 40 EDAB O=C(NCc1cnc2n1CCN(C(=O)c1cccs1)C2)C1CC1 96061938 MTHHNBBZZAWGIZ-UHFFFAOYSA-N 330.413 1.627 0 40 EDAB Cn1c(C(=O)NCCN2CCOCC2)cc2c1c1ccccc1n2C 96264157 GRANGVHFZUXWJH-UHFFFAOYSA-N 340.427 1.732 0 40 EDAB Cn1nccc1CCC(=O)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257229855 FZSLBDNQLUCTIA-VNQPRFMTSA-N 340.431 1.492 0 40 EDAB Cc1cc(OC(=O)[C@H](C)[C@@H](O)[C@@](C)(CO)C(=O)O)cc(C)c1Cl 253377635 XRWNNYSQAUNBGV-CKUKBARFSA-N 344.791 1.942 0 40 EDAB CCN(CC)C(=O)CCC(=O)NCc1cc(=O)c2ccccc2[nH]1 585138749 RUXQUOWIMUPOOL-UHFFFAOYSA-N 329.400 1.793 0 40 EDAB CCS(=O)(CC)=NS(=O)(=O)N[C@H](C)Cc1c(C)noc1C 585114976 HQLMUXVJYOCIIB-SECBINFHSA-N 337.467 1.565 0 40 EDAB Cc1nonc1Cc1nc(-c2cccc(CN3CCOCC3)c2)no1 585133580 MMCVSTGUOZCHJZ-UHFFFAOYSA-N 341.371 1.851 0 40 EDAB COC(=O)c1ccc(NC(=O)COC(C)C)c(S(C)(=O)=O)c1 585125109 GUMIRXWHPCBVSV-UHFFFAOYSA-N 329.374 1.240 0 40 EDAB CCc1cc(C(=O)N2CC[C@H]3[C@H](C2)C[C@](C)(CO)N3C(C)=O)no1 257278393 OCBROVZTOXGKGC-YLQAJVPDSA-N 335.404 1.071 0 40 EDAB COC(C)(C)CCS(=O)(=O)NC(=O)c1cccc(N(C)C)c1 252491000 LHYGHXFSLPHVGG-UHFFFAOYSA-N 328.434 1.627 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)n1 257285963 PJOPNFGCNBQUGR-CYBMUJFWSA-N 342.355 1.377 0 40 EDAB CCOc1ccc(-n2nc(C(=O)O)c(N3CCN(C)CC3)n2)cc1 256049104 YEICOVNBADPYIE-UHFFFAOYSA-N 331.376 1.116 0 40 EDAB CN([C@H](C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1)S(C)(=O)=O 260798269 QXTZOGWQUZUQLJ-TUUVXOQKSA-N 336.457 1.924 0 40 EDAB CNC(=O)C[C@]1(O)CCCN(c2ncnc3c(F)c(OC)ccc23)C1 591623155 YQJLTUAULASAMB-QGZVFWFLSA-N 348.378 1.245 0 40 EDAB Cc1nc(C)c(S(=O)(=O)N2CC[C@@H](C(=O)O)C(F)(F)C2)s1 289701218 MHGDQBJVRYYRNW-QMMMGPOBSA-N 340.373 1.490 0 40 EDAB C[C@H]1Sc2ccc(C(=O)N(C)Cc3nc(=O)o[nH]3)cc2NC1=O 1615549288 QZRWFLFKCJZTMK-SSDOTTSWSA-N 334.357 1.068 0 40 EDAB COc1ncccc1C(=O)N[C@H]1CCc2nc(N(C)C)ncc2C1 585150207 FMRKTXFNDVLVRI-LBPRGKRZSA-N 327.388 1.234 0 40 EDAB CO[C@@H]1CN(CC(=O)Nc2ccn(C)n2)CC[C@@H]1Cc1ccccc1 585278293 BOFNOSJHPMETNX-IAGOWNOFSA-N 342.443 1.938 0 40 EDAB Cc1cccc(OC[C@]2(O)COCCN(Cc3cnccn3)C2)c1 585269372 QOZAPKPBDILWTF-GOSISDBHSA-N 329.400 1.427 0 40 EDAB CCCCn1nnnc1CNC(=O)N[C@@](C)(C(=O)O)c1ccccc1 69460573 QRQMKZATBANFBK-MRXNPFEDSA-N 346.391 1.272 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1nc2nccc(C)n2n1 72234050 RKLCXEYHAFLOAS-ZDUSSCGKSA-N 339.403 1.760 0 40 EDAB CC(=O)N1CCC(NC(=O)Nc2cccnc2-n2cccn2)CC1 48197439 BGLHRSBBUSZAHT-UHFFFAOYSA-N 328.376 1.400 0 40 EDAB c1cnc(N2CCC(NCc3cnc(N4CCCC4)nc3)CC2)nc1 48712979 ZNYXYNSGVUSAJX-UHFFFAOYSA-N 339.447 1.625 0 40 EDAB Cn1cc(CNCCNS(C)(=O)=O)c(-c2cc3ccccc3o2)n1 51188291 BGWOSRWCGZMEPY-UHFFFAOYSA-N 348.428 1.472 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl 58268673 DRJRACMAXRVFRA-UHFFFAOYSA-N 335.809 1.832 0 40 EDAB COc1ccc(F)cc1CN1CCC[C@@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 89914267 MTWIFQZURLUVRK-FZKQIMNGSA-N 349.406 1.987 0 40 EDAB CCO[C@@H]1C[C@H](O)C12CCN(c1ncc(Br)cn1)CC2 95400791 ZZWRBMDIBPPRQP-NWDGAFQWSA-N 342.237 1.995 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)c1ccc2c(c1)COC2)c1ccccc1 578873310 WNXHHBFSGKUWIS-MRXNPFEDSA-N 347.392 1.864 0 40 EDAB COCC(=O)N1CCN(Cc2cc(F)cc(Br)c2)CC1 96451981 GIOKTKMBBZUFOD-UHFFFAOYSA-N 345.212 1.879 0 40 EDAB Cc1ccc(C)c(CC(=O)N2CCC[C@@H](c3nnc(CO)n3C)C2)c1 1615614776 KBSHQMLWYKDASJ-OAHLLOKOSA-N 342.443 1.873 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2[nH]1 5278207 WQECVHPIBXAGMQ-UHFFFAOYSA-N 329.381 1.998 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)cn1 12367406 MHQIFXIIQINKOO-CYBMUJFWSA-N 327.388 1.581 0 40 EDAB O=C(Cc1ccccn1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 13267853 WHJUCKIVDKKPJS-UHFFFAOYSA-N 348.366 1.162 0 40 EDAB COc1ccc(NC(=O)c2cnc3nc(C(=O)O)nn3c2C)cc1 14164126 DZWGBAZRQURJNY-UHFFFAOYSA-N 327.300 1.392 0 40 EDAB Cc1cc(=O)c([C@H](c2ccccn2)c2c(O)cc(C)[nH]c2=O)c(O)[nH]1 17119923 NTECTKURFAZJKA-UHFFFAOYSA-N 339.351 1.666 0 40 EDAB COc1cc(OC)c2cc(C(=O)NC[C@H](C)N3CCOCC3)[nH]c2c1 19456483 BIXQQLHQQGFQKF-LBPRGKRZSA-N 347.415 1.636 0 40 EDAB Cc1cc(CC(=O)N2CCC[C@]23CC(C)(C)O[C@H]3CC(N)=O)on1 643586053 UJYAGKSSWIKMEZ-SUMWQHHRSA-N 335.404 1.330 0 40 EDAB Cc1cc(C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)on1 643586016 OQCKRAYMQNVPIY-QGPMSJSTSA-N 328.368 1.743 0 40 EDAB Cc1ccn(CCC(=O)N2CCC[C@]23CC(C)(C)O[C@H]3CC(N)=O)n1 643551046 FSXCHYFABXOAIW-KBXCAEBGSA-N 348.447 1.386 0 40 EDAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)COC)cc2C1 11613168 FOCGTMCBNZBPAM-UHFFFAOYSA-N 326.418 1.369 0 40 EDAB CCc1c(C)ncnc1N1CCN(c2ncnc3c2cnn3C)CC1 1888866394 UKCGZZRHOYNPDX-UHFFFAOYSA-N 338.419 1.351 0 40 EDAB Cn1nccc1C(=O)N1C[C@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888866990 QGUFQUJUZQOBMW-ZIAGYGMSSA-N 338.415 1.296 0 40 EDAB COc1cnc(C(=O)N2CC3(C[C@@H](N4CCCC4)CS3)C2)cn1 2056225050 ZKOCFDRWEHGNJH-GFCCVEGCSA-N 334.445 1.281 0 40 EDAB O=C(Cc1cccs1)NCCn1nc(-c2ccco2)ccc1=O 8954604 VSFSKTXDWVPQGP-UHFFFAOYSA-N 329.381 1.924 0 40 EDAB O=C(NCc1ccccn1)C(=O)Nc1cccc(N2CCCC2=O)c1 10188507 FGGGANAABMSLHU-UHFFFAOYSA-N 338.367 1.463 0 40 EDAB CN(C)CC(=O)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751035 AAJVCKUHEFZMBQ-UHFFFAOYSA-N 344.459 1.254 0 40 EDAB CCCc1nnsc1C(=O)NCCn1nc(C2CC2)ccc1=O 585410322 ALAWKJCSUKNEJT-UHFFFAOYSA-N 333.417 1.355 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618255490 RAFGBDKGWFHZCF-KBPBESRZSA-N 340.383 1.944 0 40 EDAB COc1ccc(CC(=O)N[C@@H]2Cc3ccccc3NC2=O)cc1OC 30952729 DGHRNAMNEFNMNA-OAHLLOKOSA-N 340.379 1.926 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)c2csc3c2CCCC3)CC1 20275192 INKLLPYPKKNJIR-UHFFFAOYSA-N 328.459 1.344 0 40 EDAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCCN1CCOCC1 20547686 ZQECXJOSVMQSJZ-ZDUSSCGKSA-N 346.383 1.009 0 40 EDAB biogenic CCS(=O)(=O)N1CCC(C(=O)NCCN2CCCC[C@H]2C)CC1 262539 HBHSCOKLORZUMF-CQSZACIVSA-N 345.509 1.039 0 40 EDAB Cn1nc(C(=O)NCc2ccncc2)cc1NC(=O)c1ccccc1 40761735 ARWGWAFDIOUTSA-UHFFFAOYSA-N 335.367 1.997 0 40 EDAB CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(O)[nH]c(=O)[nH]c2=O)N1 20759626 KNPAHWXDSMOWJB-RTHLEPHNSA-N 326.356 1.264 0 40 EDAB biogenic COc1ccc(CNC(=O)c2nn(-c3ccccc3)nc2CO)cc1 21148970 BECOYNWQLDJCIP-UHFFFAOYSA-N 338.367 1.698 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)COc2cccc(Br)c2)C1 41128073 CUOPVQFFKQCBGC-SECBINFHSA-N 327.178 1.162 0 40 EDAB COC(=O)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 52489844 MGUBYMBGBWZDNL-UHFFFAOYSA-N 338.371 1.704 0 40 EDAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(N2CCN(C)CC2)cn1 69562133 VYFORBHBSCJHGO-ZBFHGGJFSA-N 348.447 1.356 0 40 EDAB O=C(CCn1nnc(-c2cccnc2)n1)NCc1ccc(F)cc1 76082912 IIDYRNDEOCMMHC-UHFFFAOYSA-N 326.335 1.581 0 40 EDAB NC(=O)CCn1ccc(NC(=O)c2cc(Br)c[nH]2)n1 78774229 AMKTXDLQWCXLNL-UHFFFAOYSA-N 326.154 1.101 0 40 EDAB CN(CCC(=O)NC1CCCC1)C[C@H]1CCCN1c1cccnn1 78766556 HSICEMPFSDFXKS-MRXNPFEDSA-N 331.464 1.826 0 40 EDAB Cc1cccc(C)c1-n1nnn([C@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 103003105 SJGXZUZHZUEVGZ-SUHUHFCYSA-N 332.385 1.671 0 40 EDAB CC(C)C(=O)N1CC[C@H](NCc2ccc(OCC(N)=O)cc2)[C@H](C)C1 78897765 KYGBCSIBCFMRPM-PBHICJAKSA-N 347.459 1.533 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)CCc1nc2ncccc2[nH]1 79491079 ZSDVGCQKIYJGRR-UHFFFAOYSA-N 326.404 1.600 0 40 EDAB Cn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccccc1 3506234 WMBITAUYSHDDSQ-ZDUSSCGKSA-N 332.429 1.869 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)cs1 6681341 OWAHHHJEUKLOIU-UHFFFAOYSA-N 340.426 1.941 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)CNc2ccccc2C(N)=O)c1 22803891 RTCDMERMOJJCFN-UHFFFAOYSA-N 347.396 1.240 0 40 EDAB C[C@@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)N1CCN(CCO)CC1 69656669 VZCIDSRBZUJJDZ-KGLIPLIRSA-N 339.867 1.516 0 40 EDAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H]1CN(C)CCN1C 69601961 TTZSEPBREVWIJZ-HNNXBMFYSA-N 328.416 1.626 0 40 EDAB NC(=O)CN[C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccc2c(c1)OCO2 23424086 KTDQLPDAAROJLI-KRWDZBQOSA-N 343.383 1.029 0 40 EDAB CC(C)C[C@@H](CNC(=O)[C@@H](C)OCC(F)(F)F)N1CCOCC1 42879425 ASNHFCBTVYEWFX-OLZOCXBDSA-N 340.386 1.817 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCCO)OCc1ccccc1 34212753 WSJJWSOQZCXBMY-KRWDZBQOSA-N 342.395 1.633 0 40 EDAB Cc1cnc(NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)s1 12409925 XLRRGXNZSBTLSE-GFCCVEGCSA-N 333.369 1.346 0 40 EDAB CC(=O)N[C@H](C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)C(C)C 106097213 JWIQLZFRKYVEQV-XNJGSVPQSA-N 348.447 1.794 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(=O)c2ccccc2o1 106166508 VGGLZTSPATWXSZ-STQMWFEESA-N 328.368 1.386 0 40 EDAB Cn1cncc1CN1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108526789 WYPBAFFDKNSARH-HNNXBMFYSA-N 342.447 1.836 0 40 EDAB CCc1nc(CCNC(=O)c2nc3nccc(C)n3n2)sc1C 69701931 FKVHFKMYBOWESH-UHFFFAOYSA-N 330.417 1.733 0 40 EDAB Cc1ccc(OCCNC(=O)CN(C)c2ncnc3[nH]cnc23)cc1 56110226 NHWVUNMLHKMRFD-UHFFFAOYSA-N 340.387 1.293 0 40 EDAB Cn1c(C2CC2)nn(CN2CCN(c3ncccn3)CC2)c1=S 57383224 GBZWFHRBWTVIAA-UHFFFAOYSA-N 331.449 1.398 0 40 EDAB Cn1cc(CN2CCc3ncc(CNc4ccccn4)n3CC2)cn1 106803758 NXXHOCJGGDJGMS-UHFFFAOYSA-N 337.431 1.682 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)N(C)c1nccs1 69703996 SNSZPOBAZYWECE-KBPBESRZSA-N 336.461 1.581 0 40 EDAB CCc1c(COC)nc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O 22448422 DIJRAGXYBZBYFV-UHFFFAOYSA-N 346.387 1.034 0 40 EDAB CC(=O)N1CCCN(C(=O)[C@@H](c2ccccc2)N2CCCC2)CC1 57827683 ZOOSMQVOCXXQFD-GOSISDBHSA-N 329.444 1.904 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58180775 ITPCLZIHQJCHFA-KPZWWZAWSA-N 347.390 1.994 0 40 EDAB O=C(c1ccoc1)N1CCC(Nc2cncc(-n3cccn3)n2)CC1 58157456 AZONSQLJCQGHHD-UHFFFAOYSA-N 338.371 1.972 0 40 EDAB C[C@@H]1CN(c2ccc(NC(=O)CN(CCO)C3CC3)cc2)C[C@@H](C)O1 58191661 WWGQIMNEHUZANZ-HUUCEWRRSA-N 347.459 1.695 0 40 EDAB CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 58265875 AIIDHSYHROJILC-CQSZACIVSA-N 348.428 1.162 0 40 EDAB COC(=O)[C@]12[C@H]3[C@@H]4C=CC[C@@H]4[C@H]4[C@@H]3[C@@H]3[C@@H]1[C@@H]1CC[C@H]5O[C@@H](O)[C@]42[C@@H]3[C@H]15 104286850 OBUAIGMFSGRYTH-ILGGTRDQSA-N 340.419 1.833 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCCC2)cn1 44937218 CYQVIJTYVGEXEW-CQSZACIVSA-N 338.433 1.519 0 40 EDAB COCC(=O)N1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 44950685 NAJBQHCJHGKCLM-UHFFFAOYSA-N 340.807 1.402 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ncc(-c2ccccc2)o1 44942862 ZYTVZWLFPDXIQZ-CYBMUJFWSA-N 349.412 1.382 0 40 EDAB O=S(=O)(NCCSc1nc2ncccn2n1)c1ccccc1 48188957 RPVBRUWJPZTBLI-UHFFFAOYSA-N 335.414 1.195 0 40 EDAB O=C(NO[C@@H]1CCCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 58377071 QYDAUGVHLQYBLH-MEDUHNTESA-N 348.355 1.343 0 40 EDAB O=C(Cc1ccc(F)cc1)NCCNC[C@H]1CNc2ccnn2C1 58308317 SRJJBZYSNCJADF-AWEZNQCLSA-N 331.395 1.012 0 40 EDAB Cc1cc(C(=O)NCCSC(F)(F)F)c2c(=O)[nH]n(C)c2n1 58336109 RURFIDXNCDSTAZ-UHFFFAOYSA-N 334.323 1.553 0 40 EDAB CCOC(=O)CN(C(=O)c1ccc(CS(C)(=O)=O)cc1)C(C)C 58405981 GUQCBODZBKSYKQ-UHFFFAOYSA-N 341.429 1.645 0 40 EDAB Cc1cccc(NC(=O)CCNC(=O)[C@H](C)S(=O)(=O)C(C)C)n1 58424064 UHRYLRGESUNOCL-LBPRGKRZSA-N 341.433 1.047 0 40 EDAB CCOC(=O)N1CCN(CC(=O)N[C@H](C)c2cccs2)CC1 36390070 MODVIEQTKMTCPE-GFCCVEGCSA-N 325.434 1.699 0 40 EDAB COc1ccc(Cl)cc1N(CC(=O)NC1CC1)S(C)(=O)=O 20237326 JQRSPZHCZVJOSS-UHFFFAOYSA-N 332.809 1.393 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 20490239 YTSCTYLEPSNIAZ-NSHDSACASA-N 345.852 1.797 0 40 EDAB COc1cc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)ccc1C 29193389 PLJOSAUWSGAXEH-CYBMUJFWSA-N 326.418 1.157 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C[C@@H](C)O1 45846459 WJCZLZNHBSTHTG-GASCZTMLSA-N 347.463 1.152 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 45935762 HOGZKMZJBZLJNJ-JTQLQIEISA-N 346.309 1.040 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](C(=O)O)C1 36968583 FAQNDWKVBSCPDN-QMMMGPOBSA-N 333.387 1.020 0 40 EDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1csc(-c2cccs2)n1 46111452 GQLMBRZGQXIJOH-QMMMGPOBSA-N 330.456 1.921 0 40 EDAB Cc1c(C(=O)NCCNS(C)(=O)=O)oc2ccc(Cl)cc12 29681442 ZDOKRAJTCYCVKL-UHFFFAOYSA-N 330.793 1.674 0 40 EDAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1cnn(C)c1)C2=O 25308539 IRBQHNWDYVRVFS-UHFFFAOYSA-N 326.356 1.743 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cccc2)c(F)c1 69814553 WQVXQJGFGBCQFX-LBPRGKRZSA-N 336.388 1.781 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCCCOc1ccc3c(c1)OCO3)CC2 69951931 KVDBDZQCDRGARE-ZDUSSCGKSA-N 330.388 1.689 0 40 EDAB COCCN(C)CCCNC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 63242416 BUCJOQOEJVBCFR-OAHLLOKOSA-N 336.432 1.741 0 40 EDAB COC[C@@H](C)N(C)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 65393099 DMAQWKQWTOOMFN-CQSZACIVSA-N 335.452 1.010 0 40 EDAB CN1CCc2ncnc(N3CCN(c4ccc(Cl)cn4)CC3)c2C1 65474333 VICNHOLAAMJNFH-UHFFFAOYSA-N 344.850 1.840 0 40 EDAB CC(C)c1nnc(NC(=O)N(CCN(C)C)CCN(C)C)s1 65493712 QNRZCMAASGMKDR-UHFFFAOYSA-N 328.486 1.619 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N1CCN(c2ccc(O)cc2)CC1 65418864 ACMQRFXMOQDQAJ-CQSZACIVSA-N 329.404 1.509 0 40 EDAB O=C(CN1CCOCC1)Nc1ccccc1C(=O)NCc1ccco1 14095200 UJZZWBSFURGZAP-UHFFFAOYSA-N 343.383 1.480 0 40 EDAB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1C 9054506 OQSUKJQLQCZSEK-LBPRGKRZSA-N 335.433 1.782 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)N[C@@H]2CCc3nnc(C)n3C2)c1 65589537 XLADYYNEDANQKU-SWLSCSKDSA-N 344.415 1.631 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)NCCCOC[C@H]2CCCO2)cc1 65568840 NEEXYDHSCYSGTL-CYBMUJFWSA-N 343.401 1.249 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc[nH]2)C1=O 65500150 QTBSVYIANXAGKW-ZDUSSCGKSA-N 332.404 1.789 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)Cc1coc(-c3ccccc3)n1)CC2 65552527 ZMYCFYVODXTIEJ-AWEZNQCLSA-N 337.383 1.915 0 40 EDAB CS(=O)(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1 65588145 WEDFTVICHMUYGF-UHFFFAOYSA-N 336.417 1.356 0 40 EDAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CCCC1 14159326 FQJLQYXGUHFXGJ-UHFFFAOYSA-N 325.434 1.482 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2ccc(NC(C)=O)cc2)CC1 14231778 LUFQBWBEONBNPB-UHFFFAOYSA-N 333.388 1.996 0 40 EDAB NC(=O)Cc1csc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)n1 14332257 VUMWEJNWOOGIFA-LLVKDONJSA-N 337.788 1.767 0 40 EDAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(C)c(=O)c2sccc21 6679520 AWFCJKCFRCVSSC-LLVKDONJSA-N 335.429 1.553 0 40 EDAB CCOc1cccc2c(C)nc(NC3=NCN(CCOC)CN3)nc12 15083240 QRCKHMSACFEFCW-UHFFFAOYSA-N 344.419 1.571 0 40 EDAB O=C([C@@H]1CCCN1S(=O)(=O)C1CCCC1)N1CCSCC1 66936828 VPADUCLTDZLGDR-ZDUSSCGKSA-N 332.491 1.299 0 40 EDAB O=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1ccc2[nH]ccc2c1 96118364 OZIASOPPOBPDPH-UHFFFAOYSA-N 348.362 1.601 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16021890 DNCWQCRISIYZFL-AVUWZVCYSA-N 327.384 1.227 0 40 EDAB Cc1ccc(N2CCCC2)c(C(=O)N2CCCN(CC(N)=O)CC2)c1 96408433 QHVOFTVIYLKMMX-UHFFFAOYSA-N 344.459 1.228 0 40 EDAB COc1cc(Br)c(CN2CCNC(=O)C2)cc1OC 8185901 ATJHSBZRKMAKFO-UHFFFAOYSA-N 329.194 1.398 0 40 EDAB NC(=O)c1cccc2c1CCCN2Cc1nnnn1-c1ccccc1 69150490 FUXOQPFGFZNRGA-UHFFFAOYSA-N 334.383 1.714 0 40 EDAB O=c1cc(N2CCN(C[C@H]3CCCO3)CC2)nc2ccc(Cl)cn12 69195270 WIXWJDKVHJWTQQ-CQSZACIVSA-N 348.834 1.649 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N1CCC[C@H](n2cncn2)C1 70039850 WRZMGUQWDDDTIN-ZDUSSCGKSA-N 340.449 1.189 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2coc(Br)c2)CC1 70040924 OGAPSPHHWUOIEF-LLVKDONJSA-N 331.210 1.571 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCn4c(C)nnc4C3)o2)n1 69484932 DREQCEJWXQBUOA-UHFFFAOYSA-N 340.387 1.697 0 40 EDAB COc1cc(CN2CCN(C(=O)c3ccco3)CC2)cc(OC)c1O 20084393 MUYLOWDVDCEYSH-UHFFFAOYSA-N 346.383 1.960 0 40 EDAB COC(=O)CN(Cc1ccccc1C)C(=O)[C@H](C)N1CCOCC1 71874853 ULKPMNZVQKTMJA-HNNXBMFYSA-N 334.416 1.217 0 40 EDAB CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC(N)=O)cc1 71882386 KUDDDHAUFXGLSO-KRWDZBQOSA-N 325.412 1.826 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(Cc3cscn3)CC2)cn1 71841462 OBVZGYCYGMEFRB-LSDHHAIUSA-N 331.445 1.325 0 40 EDAB CN(CC(N)=O)C(=O)c1csc(COc2ccc(Cl)cc2)n1 71829213 ADTBUTUZVFWEGU-UHFFFAOYSA-N 339.804 1.933 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)CCCc3nc(CC)no3)CCO2)n1 83830496 GIIBMNCXRBBOQR-LLVKDONJSA-N 348.407 1.235 0 40 EDAB COC(=O)Cn1ncc2c(N[C@H](CCO)C3CCCCC3)ncnc21 71911561 RMBWQOMUONBTLI-CQSZACIVSA-N 347.419 1.743 0 40 EDAB CCOc1ncccc1C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 71915391 DIFOOFRPHCFJEY-SECBINFHSA-N 331.294 1.373 0 40 EDAB CCOc1ccccc1N(CC(=O)N[C@@H](C)COC)S(C)(=O)=O 9615270 UYHPXAKIQXBIDV-LBPRGKRZSA-N 344.433 1.002 0 40 EDAB CCn1nnnc1-c1cccc(NC(=O)NCc2cc(C)on2)c1 72303933 MUTGOCAQEGCNMG-UHFFFAOYSA-N 327.348 1.978 0 40 EDAB Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1CCNC1=O 9752007 RMOFIUZMSHCCLC-UHFFFAOYSA-N 327.340 1.560 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CN1CC1CC1 84136580 ZIACMGGKMCQZSB-KGLIPLIRSA-N 344.415 1.869 0 40 EDAB CC[S@@](=O)CCNC(=O)Nc1nnc(-c2ccccn2)s1 72285538 OIZFFKFPJLBGIG-NRFANRHFSA-N 325.419 1.490 0 40 EDAB COc1cccc(CN(C)S(=O)(=O)N2CCC(C(=O)O)CC2)c1 72274798 QQILPMGJAQXKSQ-UHFFFAOYSA-N 342.417 1.168 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@]1(C)Cc3ccccc3C(=O)O1)C2 72279867 GGTYABWFZXDNLH-GOSISDBHSA-N 340.383 1.355 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC(=O)c1cc(C(C)(C)C)n[nH]1 72270788 SGINATSYNDGJOX-UHFFFAOYSA-N 326.378 1.431 0 40 EDAB O=C1[C@H](NCc2nnc3n2CCCC3)CCN1c1ccccc1F 72299734 FBRCPRHWCWYEKY-CYBMUJFWSA-N 329.379 1.649 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C12CCCC2 72535898 CPTHIIRPHLSZLO-KGLIPLIRSA-N 333.432 1.865 0 40 EDAB COC(=O)Cn1cc([C@@H](C)OC(=O)CCc2ccc(F)cc2)nn1 84667471 QYGVYTJBXIDOTJ-LLVKDONJSA-N 335.335 1.827 0 40 EDAB CN(Cc1ccccc1)CC(C)(C)NC(=O)NCc1ncnn1C 95436970 BTCUGBZIKGIRGI-UHFFFAOYSA-N 330.436 1.525 0 40 EDAB Cn1cccc1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95476164 XMRUQRQKOKBXSN-LBPRGKRZSA-N 337.383 1.571 0 40 EDAB CC1(C)CN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)CCN1 95990201 JJOIJJCYEHQFQM-UHFFFAOYSA-N 337.786 1.884 0 40 EDAB COC(=O)Nc1cccc(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)c1 75140658 YYJDYHKPIVDOBB-OAHLLOKOSA-N 345.403 1.631 0 40 EDAB O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@@H]1c1cccc(F)c1F 89768136 NYBPTVCKRBWCIK-YUSALJHKSA-N 329.368 1.762 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 42367376 ICHLBNXCFUIKOW-STQMWFEESA-N 330.363 1.580 0 40 EDAB O=C(COc1ccccc1C(F)(F)F)N1CC[C@@H](c2nn[nH]n2)C1 1548768653 OZCRGSMEVRKPHX-SECBINFHSA-N 341.293 1.613 0 40 EDAB C[C@@H](C(=O)NCCCc1cnn(C)c1)n1nnc(-c2ccccc2)n1 79933405 UMGAFJRXFSFHDB-ZDUSSCGKSA-N 339.403 1.384 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)CC1 74563427 MXTTWVDVJBIWRX-SFHVURJKSA-N 329.444 1.760 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CCO1 124488908 ADUJEWGXVIZGSH-JTQLQIEISA-N 336.697 1.685 0 40 EDAB Cc1nc(C)n(Cc2cccc(NC(=O)NCc3nccn3C)c2)n1 78818903 RIDDEZKCPNDYKA-UHFFFAOYSA-N 339.403 1.998 0 40 EDAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCC(C)C 217464211 OXGHYWSKCDNJPV-UHFFFAOYSA-N 330.406 1.377 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccccn2)[C@H]1c1cccc(F)c1 72241740 RJQQVLYCMUDKFG-IAGOWNOFSA-N 343.358 1.435 0 40 EDAB O=S(=O)(c1cccc2cccc(Cl)c12)N(CCO)CCO 35685551 ISLVMPDQAGDMHF-UHFFFAOYSA-N 329.805 1.469 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)COC 217432269 YYKKETWLDBOCGZ-WDEREUQCSA-N 344.433 1.908 0 40 EDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)NC[C@H](O)C1CCOCC1 76952494 YFRVARFQPLLSRG-ZBEGNZNMSA-N 342.386 1.983 0 40 EDAB Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCN(CC(N)=O)C3)n2)n1 72383087 IEMYYCIGCZVQIJ-CYBMUJFWSA-N 341.419 1.210 0 40 EDAB Cn1cnc(-c2ccc(C(=O)N3CC[C@]4(CCCNC4)C3)cc2)n1 567671889 QGJDEUFEJNAPCU-SFHVURJKSA-N 325.416 1.698 0 40 EDAB CC(C)c1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)[nH]n1 189678197 DHRPIZYGWQYZEC-KGLIPLIRSA-N 346.431 1.913 0 40 EDAB O=C(NC[C@H]1COc2ccccc2O1)C(=O)Nc1cccc(O)c1 40285784 UFAXBFIEYUCQAN-ZDUSSCGKSA-N 328.324 1.287 0 40 EDAB CO[C@H]1CNC[C@@H]1NC(=O)c1cc(Cl)ccc1Br 195544818 NFXZVHYIELSPLF-QWRGUYRKSA-N 333.613 1.819 0 40 EDAB NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccsc1 529461158 WUKOEYQQRMEJBR-RWMBFGLXSA-N 343.474 1.026 0 40 EDAB O=C(CCn1ccc2ccccc21)N1CCC[C@](O)(c2cnn[nH]2)C1 583618951 MAHDFKYVZUTBTR-GOSISDBHSA-N 339.399 1.660 0 40 EDAB Cc1cc(C)n(CC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)n1 583619530 FWNWYSRAONKYOM-MAUKXSAKSA-N 344.463 1.433 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)nc(C)n1 583618973 NUEDRQKRUBMZKF-KRWDZBQOSA-N 344.419 1.390 0 40 EDAB Cc1nc(CC(=O)N(CCS(C)(=O)=O)C(C)(C)C)c(C)s1 97100958 MLJCQPPSFUUVOM-UHFFFAOYSA-N 332.491 1.974 0 40 EDAB Cc1ccoc1C(=O)N1CCc2ncnc(N3CCOCC3)c2CC1 96255724 QCYUCFXQJUKTCX-UHFFFAOYSA-N 342.399 1.456 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCCOC1 96422430 ZOVGKBMQECGAMG-SJORKVTESA-N 331.460 1.740 0 40 EDAB CS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1cccc(N)c1 96519739 YNGDANDCEBZDRA-BDAKNGLRSA-N 328.615 1.634 0 40 EDAB COC[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cncn2C1 96206465 FRYDUTDRBLAXHB-CQSZACIVSA-N 343.383 1.459 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1C 96487172 BBVVFVIZVPUWLC-BBRMVZONSA-N 341.411 1.861 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2C[C@@H](C(=O)NC3CCC3)O[C@@H]2C1 96042989 GRORQSJMZPMXQQ-RRQGHBQHSA-N 333.432 1.940 0 40 EDAB Cn1c(CCNC(=O)CCS(C)(=O)=O)nc2cc(Cl)ccc21 96405600 DKFCPIWNWQLWIB-UHFFFAOYSA-N 343.836 1.320 0 40 EDAB O=C(c1cocn1)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96220135 ZCEJTEACELZNPL-YOEHRIQHSA-N 329.356 1.912 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnn(C)c1-n1cccc1 96495123 FSWXPHMGGNWEAY-ZDUSSCGKSA-N 339.403 1.630 0 40 EDAB C[C@@H](c1cccnc1)N1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 96424726 MYLTVVICSSOORB-RDJZCZTQSA-N 332.448 1.055 0 40 EDAB O=c1onc(-c2ccccn2)n1Cc1cc(=O)n2ccsc2n1 96402636 WSCJORKHGMUQRV-UHFFFAOYSA-N 327.325 1.016 0 40 EDAB CCC(=O)c1cccc(S(=O)(=O)NCCc2cnn(C)c2C)c1 96483186 ZLYGSFYNAZZOEK-UHFFFAOYSA-N 335.429 1.842 0 40 EDAB Cc1noc(C)c1C(=O)N1C[C@H]2OCC(=O)N(CC3CCCC3)[C@@H]2C1 96081639 CYULBVYUUMWQQN-HUUCEWRRSA-N 347.415 1.533 0 40 EDAB C[C@@H]1CN(C(=O)NCc2cccc(-n3ccnc3)c2)CC[S@@](=O)C1 580818841 NTRJGZOVCCOEIT-JBEBIEQOSA-N 346.456 1.782 0 40 EDAB O=C1C[C@]2(CCN(S(=O)(=O)C3CC3)C2)CN1c1cccc(F)c1 96050755 CAXHXMQMJOTAND-INIZCTEOSA-N 338.404 1.747 0 40 EDAB CS(=O)(=O)N1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96107287 KTKYOKWLIOIUAS-CABCVRRESA-N 326.418 1.181 0 40 EDAB c1ncn(Cc2cnc3n2CCN(Cc2ccc4c(c2)OCO4)C3)n1 96201137 YNBBKBLEQJNZQE-UHFFFAOYSA-N 338.371 1.267 0 40 EDAB COCCNC(=O)C[C@@H]1OC[C@H]2CN(Cc3ccc(C)o3)CC[C@@H]12 96206173 CSJPSXZAZRXFBT-OIISXLGYSA-N 336.432 1.578 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@H](c2cccnc2)c2c(O)n[nH]c2C[C@]1(C)O 252586487 QKICAXGIFLFMLC-IFIJOSMWSA-N 331.372 1.517 0 40 EDAB CN(C)c1cccc(CN2CCC[C@@H]2CNC(=O)c2cnn(C)c2)c1 585136639 NWFZZLBQUNOISP-GOSISDBHSA-N 341.459 1.881 0 40 EDAB CCCS(=O)(=O)N1CC[C@@](O)(CN(C)Cc2ccc(F)cc2)C1 257299342 RPQLGOWSXOSHQN-MRXNPFEDSA-N 344.452 1.434 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)NCc1cnc([C@H]2CCCCO2)nc1 257218033 DBPNMUSSPKEGFP-OAHLLOKOSA-N 329.404 1.917 0 40 EDAB COCc1cccc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)c1 257244375 ILACSISLZXFRKO-KZNAEPCWSA-N 332.444 1.941 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)CN1CCCC1 257231273 GFZWQFBJCSULFC-KRWDZBQOSA-N 345.443 1.523 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(Cc2ccc(C(=O)O)cc2)C1 257219955 DIYWZNKHHCVIAR-CYBMUJFWSA-N 349.412 1.501 0 40 EDAB COc1cc(C(=O)N2C(=N)O[C@@H]3CSC[C@H]32)cc(OC)c1OC 257221489 DPFURUMPTKSVLS-BXKDBHETSA-N 338.385 1.604 0 40 EDAB COc1ccc(CN2C(=O)N[C@@](C)(c3c(F)cccc3F)C2=O)nn1 252508957 XZGZRQGDMPPQNF-INIZCTEOSA-N 348.309 1.731 0 40 EDAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)NCCN1CCOCC1 253403450 PXGKPXMRBQFITL-ZDUSSCGKSA-N 345.399 1.457 0 40 EDAB biogenic,in-vitro C[C@@]1(C(=O)N2CCC3(CCCCC3)C2)CN(S(C)(=O)=O)CCO1 257269946 MSBYEDDYVCMJEB-HNNXBMFYSA-N 344.477 1.220 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)no1 257253059 JXKSRBQZGWYWQI-ZDUSSCGKSA-N 341.371 1.357 0 40 EDAB CCc1nnc(NS(=O)(=O)c2cc(F)ccc2C(=O)OC)s1 267695728 SBRHEUFMHHDOGV-UHFFFAOYSA-N 345.377 1.827 0 40 EDAB O=C(COc1ccc(-n2cccn2)nn1)Nc1ccc2c(c1)OCO2 90607735 HXDFOCVSAPZGFV-UHFFFAOYSA-N 339.311 1.409 0 40 EDAB CC(=O)Nc1ccc2nc(NC(=O)CCn3cnnn3)sc2c1 604418786 CNKRKFMHAXGGAR-UHFFFAOYSA-N 331.361 1.270 0 40 EDAB O=C(Cc1noc([C@]23CC[C@H]2CNC3)n1)NCc1cccc(F)c1 1614423119 BBHGXOATVMJZGW-SJCJKPOMSA-N 330.363 1.319 0 40 EDAB CCn1nc(C)c(S(=O)(=O)Nc2ccc3ncnc(O)c3c2)c1C 1615588430 PSTHLEWLGDLLRB-UHFFFAOYSA-N 347.400 1.969 0 40 EDAB O=C1C(=O)N(C2CCCCC2)C(=O)N1Cc1cccc2ncnn12 1615550115 LADYMRKQDYLELK-UHFFFAOYSA-N 327.344 1.353 0 40 EDAB CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[C@]2(N)C1 1615588494 BAHBXRKNYSKEDV-YJBOKZPZSA-N 332.448 1.260 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCC([C@H]2OCC[C@@H]2NC(=O)C(F)(F)F)CC1 1615627406 YJJMHMYMPVMHBE-LPTSXCQYSA-N 348.365 1.717 0 40 EDAB N[C@H]1CC2(CCN(C(=O)[C@H]3CSCN3)CC2)Oc2ccccc21 1616039597 RTIDQDFPNRJANB-UONOGXRCSA-N 333.457 1.493 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC(N[C@H]3CCOC3)C2)cc1C 1616037764 LUPMWTBDELWTNT-ZDUSSCGKSA-N 340.445 1.145 0 40 EDAB Cc1cc(C)cc(OCCNC(=O)c2ccc(-n3cncn3)nn2)c1 96097872 BMIBFRBUTRCRSA-UHFFFAOYSA-N 338.371 1.483 0 40 EDAB Cc1noc([C@H]2CCC3(CCN(S(=O)(=O)C4CC4)CC3)O2)n1 96109967 ZUBPGCOQAACDOK-GFCCVEGCSA-N 327.406 1.556 0 40 EDAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)C(=O)Nc1ccon1 390829854 HBSKFJVKAUNHAQ-JTQLQIEISA-N 347.352 1.784 0 40 EDAB CC(C)CC(=O)N1CC2(C1)CN(C)[C@@H](C(=O)NC1CCCC1)CO2 575403188 FKYZPBPBKKNNPP-OAHLLOKOSA-N 337.464 1.003 0 40 EDAB CC(C)c1nnc(NC(=S)N[C@@]2(C)CCS(=O)(=O)C2)s1 575423633 PEESMGOYWALVFU-NSHDSACASA-N 334.492 1.525 0 40 EDAB CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O 585280467 IXGSRFCLULOFGN-UTUOFQBUSA-N 330.306 1.402 0 40 EDAB O=C1NCC[C@]12CN(S(=O)(=O)c1ccccc1F)CC(F)(F)C2 585093272 MXWDSAHFJIGCIY-ZDUSSCGKSA-N 348.346 1.362 0 40 EDAB CNC(=O)[C@@]1(C)CN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CCO1 585289899 WSOFDWHWHCJELW-DODZYUBVSA-N 348.443 1.184 0 40 EDAB O=C(NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O)c1cncc(O)c1 585283378 AFIBKTDCTZISQQ-CSMYWGQOSA-N 328.368 1.736 0 40 EDAB CCOC(=O)c1nn(CC(=O)N(C)CC2CC2)c2ccccc2c1=O 69628785 DJLAUZOUOCBANM-UHFFFAOYSA-N 343.383 1.442 0 40 EDAB COC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccnc(C(=O)N(C)C)c1 69740547 VHUHGJNQMAIBSX-LBPRGKRZSA-N 336.392 1.493 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)N3CCO[C@@H](C)C3)ccc2c1=O 33229657 CJEITQWTSWHARY-NSHDSACASA-N 331.372 1.132 0 40 EDAB O=C(CN1CCCC1=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 75144064 GSGPRVGEJRUILC-CYBMUJFWSA-N 335.379 1.978 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)C3=NN(C(C)C)C(=O)CC3)C2)no1 78797118 UKHYPLWVUWQHLV-LBPRGKRZSA-N 347.419 1.725 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CC[C@@H](Oc2cnsn2)C1 675007973 IHPVYZJQXKZQNZ-MFKMUULPSA-N 333.369 1.358 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCN(Cc2ccccn2)CC1 40474119 AZPBQMDACFNABI-UHFFFAOYSA-N 328.416 1.963 0 40 EDAB COc1ccc(C(=O)[C@@H](NC[C@@H](C)O)c2oc(C)cc(=O)c2O)cc1 1547138760 GHAMGQBWTSTATQ-MEBBXXQBSA-N 347.367 1.557 0 40 EDAB biogenic CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2nnn(C)n2)cc1 8053717 VXXDTRGPQLHWNX-RMKNXTFCSA-N 330.417 1.860 0 40 EDAB CCOC(=O)[C@]1(CC)C(=O)O[C@H](C(=O)NC2CCCCC2)[C@H]1C 13465395 YGKNEFFMXHQDKE-BTJLNZGRSA-N 325.405 1.956 0 40 EDAB CC[C@@H](CO)NS(=O)(=O)c1ccc(Br)c(OC)c1 11566181 UHCIVJFNQVZBSC-QMMMGPOBSA-N 338.223 1.507 0 40 EDAB COc1ccc(-c2cc(=O)n(CC(=O)Nc3cc(C)on3)cn2)cc1 13807263 XHMOAELPBIGZTP-UHFFFAOYSA-N 340.339 1.854 0 40 EDAB CCOCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 16687975 FJJIJWXREHTOEO-UHFFFAOYSA-N 348.852 1.503 0 40 EDAB O=C(c1cccc(F)c1)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19293594 DDEDJOLWMZFPMJ-CYBMUJFWSA-N 326.375 1.891 0 40 EDAB O=S(=O)(c1ccccc1)N1CCC[C@H]1c1ccnc2ncnn12 19373634 VXAZLPVFRDXJOE-ZDUSSCGKSA-N 329.385 1.650 0 40 EDAB CC(C)c1nc2c(c(=O)[nH]1)CCN(Cc1cccnc1N(C)C)CC2 19453781 JKXKKAIFQHFJTG-UHFFFAOYSA-N 341.459 1.955 0 40 EDAB CC(C)Nc1nc([C@@H](C)n2ncc3ccccc3c2=O)cc(=O)[nH]1 19717424 CLZLKWGKOADNPU-LLVKDONJSA-N 325.372 1.909 0 40 EDAB CNc1cc(C(=O)N2CCC(CC(=O)NCC3CC3)CC2)ccn1 19748522 RIDRWQDQGPHQOB-UHFFFAOYSA-N 330.432 1.892 0 40 EDAB Cc1nc(CC(C)C)c(NC(=O)C(=O)N2CCCN(C)CC2)s1 162079521 LDHUNGBSLWAIJV-UHFFFAOYSA-N 338.477 1.753 0 40 EDAB Cc1ccc(C2(C(=O)NC[C@@H]3COC[C@@H](O)[C@H]3O)CCCC2)cc1 643584959 BPRIGESDMXHAAZ-OIISXLGYSA-N 333.428 1.291 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccc(F)cc1)C2=O 4514752 XRTCMEBYTNOZAX-XIKOKIGWSA-N 347.390 1.943 0 40 EDAB Fc1c(C2CC2)ncnc1N1CCN(c2nccn3nccc23)CC1 1888875648 CXZBRMOCUCCCBO-UHFFFAOYSA-N 339.378 1.862 0 40 EDAB Oc1cc(C(F)F)nc(N2CCN(c3nccn4nccc34)CC2)n1 1888888499 IGPMEGFCNZIEFV-UHFFFAOYSA-N 347.329 1.489 0 40 EDAB Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCN(S(C)(=O)=O)C2)n1 1848355338 NLQSBKNVRWWIBJ-ZDUSSCGKSA-N 349.460 1.978 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)CC3(O)CCC3)CC2)N1 1614938102 XDZFMAHOJATSRU-HNNXBMFYSA-N 343.427 1.351 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccccc1F 4570654 LAFBTTJNWCBYSU-LBPRGKRZSA-N 331.299 1.955 0 40 EDAB Cc1ccc(NC(=O)C[C@H](NCCOCCO)C(=O)O)cc1Cl 4939677 OVAOUBHDJSLWQE-ZDUSSCGKSA-N 344.795 1.029 0 40 EDAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)c1ccccc1 8848758 BEDGFWWZOLZBRU-UHFFFAOYSA-N 348.362 1.440 0 40 EDAB O=C(/C=C\c1ccc2c(c1)OCO2)NCc1nnnn1-c1ccccc1 9570654 YTWJXNQAVFYQQA-CLFYSBASSA-N 349.350 1.721 0 40 EDAB CN(C)CCN1CCO[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@H]21 2055747763 VFARVJJXPVHEIO-DOOVEFGSSA-N 335.473 1.235 0 40 EDAB COCC(=O)N1CCC(Nc2cccc(OC)c2)(C(=O)N(C)C)CC1 2055747759 UXIZYWNTADWEBI-UHFFFAOYSA-N 349.431 1.203 0 40 EDAB O=C(NCCn1ncccc1=O)c1csc(-c2ccccc2)n1 38488151 UOSGJDMRWHIXPW-UHFFFAOYSA-N 326.381 1.797 0 40 EDAB COc1ncccc1CNC(=O)[C@@H](C)n1nc(C2CC2)ccc1=O 575621080 VBWXSMGXMDAKGJ-LLVKDONJSA-N 328.372 1.402 0 40 EDAB O=C(NCCOc1ccccc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 40073648 GONCCDYXEATVEH-LLVKDONJSA-N 330.306 1.592 0 40 EDAB COc1ccccc1N1CCN(c2nnnn2-c2ccccc2)CC1 38129 KEMACTNKXKIBMR-UHFFFAOYSA-N 336.399 1.998 0 40 EDAB COc1cc(C(=O)NCc2cccnc2OC)cc2c1OCCO2 31320527 SABMYMOSHOTNDZ-UHFFFAOYSA-N 330.340 1.800 0 40 EDAB COc1ccc([C@H](CNC(=O)C2CCC2)N2CCOCC2)cc1OC 40463255 VTUXAHUFERAJRX-INIZCTEOSA-N 348.443 1.993 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cnc3ccccc3c2)C1 40496324 FCRTURZRHGOANI-ZDUSSCGKSA-N 333.413 1.845 0 40 EDAB C[C@@H]1CN(CCNC(=O)CCc2nc(C(C)(C)C)no2)C[C@@H](C)O1 40516194 BWVKQUNKPGPLEM-CHWSQXEVSA-N 338.452 1.525 0 40 EDAB O=c1c(NCc2ccccn2)c(N2CCN(c3ccccn3)CC2)c1=O 101707356 ORJUCNNKKOUSLE-UHFFFAOYSA-N 349.394 1.011 0 40 EDAB C[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)N1CCN(C)CC1 32624722 ORSBVWXVJKPXIX-AWEZNQCLSA-N 328.416 1.707 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795032 DQMXXDRHJPJWOK-RDJZCZTQSA-N 328.412 1.823 0 40 EDAB O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 32912366 RNFATVDOXINBGM-LDYMZIIASA-N 330.203 1.599 0 40 EDAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)cc1 60348842 VRWMMNBBLMQNQI-AWEZNQCLSA-N 327.402 1.611 0 40 EDAB COc1cccc(NC(=O)Cn2nnc(-c3cccc(OC)c3)n2)c1 416121 BXRDNRKFCXLGLA-UHFFFAOYSA-N 339.355 1.996 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCO1)N(C)C[C@@H]1CCCN1c1cccnn1 69894742 DZNAHBXUKBZGIF-OWCLPIDISA-N 347.463 1.061 0 40 EDAB COc1ccc(-c2nc(CNC(=O)COc3cc(C)on3)n[nH]2)cc1 69812826 UEFGAKMEQREPOI-UHFFFAOYSA-N 343.343 1.472 0 40 EDAB CC[C@@H](CN1CCCC1)NC(=O)CCn1c(=O)oc2ccccc21 76017322 VYGKYFDZGGTGJH-AWEZNQCLSA-N 331.416 1.975 0 40 EDAB Cc1cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)n(C)n1 69896526 MSPAKLWDDGKDFB-UHFFFAOYSA-N 342.443 1.615 0 40 EDAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCc1ccccc1 102854172 ANJJLBOJTARJGB-HZPDHXFCSA-N 326.396 1.687 0 40 EDAB CS(=O)(=O)NCCN1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 78900946 HDXCWEZDSPMLRC-SECBINFHSA-N 340.371 1.157 0 40 EDAB COc1ccc2nnc(CCC(=O)Nc3c(C)nn(C)c3C)n2n1 79479515 ZAFABWHLCDOOIQ-UHFFFAOYSA-N 329.364 1.055 0 40 EDAB O=C(Cn1ccc2ccc(Cl)cc21)N[C@H]1CCS(=O)(=O)C1 52982581 UNUKMPSDEFCPBI-LBPRGKRZSA-N 326.805 1.598 0 40 EDAB CCCc1nnc(SCC(=O)N2CCCC2)n1CCCOC 4877759 CDGOOGZISWJXSE-UHFFFAOYSA-N 326.466 1.982 0 40 EDAB CC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1 22685627 MVZQWSNNJKSIFH-INIZCTEOSA-N 340.383 1.863 0 40 EDAB CCc1nc(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cs1 22656739 FXAABMOMTOHTPW-UHFFFAOYSA-N 339.808 1.154 0 40 EDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1C(=O)OC 7756001 CRYYAVZRKIZJOA-CYBMUJFWSA-N 334.397 1.829 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCC(CS(N)(=O)=O)CC1 104065466 CIQWXDZNHQOROJ-UMVBOHGHSA-N 345.509 1.070 0 40 EDAB CC(C)n1nnnc1CN1CCOC[C@H]1CC(=O)c1ccccc1 97162975 LVTOTEWHSMNFLS-OAHLLOKOSA-N 329.404 1.728 0 40 EDAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)CN1CSCC1=O)C2 97198301 VKESXIBMJRHWSC-NSHDSACASA-N 336.461 1.145 0 40 EDAB CC[C@H]1c2ccsc2CCN1C(=O)CN1CCS(=O)(=O)CC1 47211362 KYYNBAJTFJERRR-ZDUSSCGKSA-N 342.486 1.314 0 40 EDAB O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc(Cl)c1F 106167152 CKORLRSZFFHKPI-WDEREUQCSA-N 348.827 1.621 0 40 EDAB Cc1cc(C)n2nc(C(=O)NC[C@@H](C)N3CCC[C@@H](C)C3)nc2n1 106625639 FTRXFNRAZZIGFM-BXUZGUMPSA-N 330.436 1.591 0 40 EDAB CCS[C@@H]1CC[C@H](NC(=O)N[C@H](C)CN2CCN(C)CC2)C1 107063936 FSCBUJJYGJGELN-QLFBSQMISA-N 328.526 1.596 0 40 EDAB CC(=O)N1CCN([C@H]2CN(CCOc3ccc(C)cc3)C[C@H]2C)CC1 107141877 YJNLNMAXODMVSJ-XLIONFOSSA-N 345.487 1.858 0 40 EDAB CCCNC(=O)CNC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1 56195240 ZEDFITNOBVABOE-VIFPVBQESA-N 329.809 1.537 0 40 EDAB O=C(Nc1cccnc1N1CCOCC1)[C@@H]1COc2ccccc2O1 56152321 PBWWDHGPYHYSBJ-INIZCTEOSA-N 341.367 1.697 0 40 EDAB Cn1cc(C(=O)NC2CCN(C(=O)OCC(F)(F)F)CC2)cn1 56324756 JNXFHPVUBZJXMV-UHFFFAOYSA-N 334.298 1.313 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC(N)=O 57212956 DEGJKMOANXBAQI-AWEZNQCLSA-N 349.431 1.504 0 40 EDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCOC)ccc21 57280321 XUFLRKNUFFZKRY-UHFFFAOYSA-N 326.418 1.255 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2ccc(F)cc2)C1 57318835 IGYATTWIFUZYOT-DZGCQCFKSA-N 336.407 1.758 0 40 EDAB CCOc1ccc(NC(=O)[C@H](Cc2cccnc2)c2nnn[nH]2)cc1 57523499 HAOKZXSCTGBAGP-OAHLLOKOSA-N 338.371 1.958 0 40 EDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCN(C[C@H]3CCOC3)C2)C1 107232080 ZGWPTGIBBKPYNH-DYVFJYSZSA-N 330.388 1.277 0 40 EDAB Cn1cc(CN2CCC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cn1 107731214 QDFZTUHMSIBKAD-WBVHZDCISA-N 346.410 1.585 0 40 EDAB O=C(Cn1cnc2ncccc2c1=O)NCc1ccccc1Cl 58280401 BIXDNRUTIVXKHQ-UHFFFAOYSA-N 328.759 1.761 0 40 EDAB CN(CCCNC(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O 44947026 XLVFIRXKYATFHR-HNNXBMFYSA-N 339.461 1.645 0 40 EDAB Cc1cc(C)n(CCCNC(=O)CNC(=O)OCc2ccccc2)n1 58324011 QFZKFJBGVABEES-UHFFFAOYSA-N 344.415 1.933 0 40 EDAB CCOCCO[C@H](C)C(=O)NCc1ccccc1N1CCOCC1 58323481 VKYDOFGVKCTUGA-OAHLLOKOSA-N 336.432 1.581 0 40 EDAB Cn1cc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cn1 48193896 LJTLQQRLCSQZDG-CQSZACIVSA-N 344.390 1.979 0 40 EDAB CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2nccn2C)CC1 48184916 DLCOMBIJPAYLJK-UHFFFAOYSA-N 335.496 1.336 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCOc1cccc(Cl)c1 69925580 GZKMZWHRFOHQBL-LLVKDONJSA-N 348.852 1.793 0 40 EDAB Cc1cc(NC(=O)COC(=O)Cn2ccc(C(F)(F)F)n2)no1 11394129 WHHTZUVEJSXBSQ-UHFFFAOYSA-N 332.238 1.380 0 40 EDAB COc1ccc(OCCN2CCN(c3nccc(OC)n3)CC2)cc1 12797514 DAQKNRRETVNGEP-UHFFFAOYSA-N 344.415 1.695 0 40 EDAB NC(=O)c1ccsc1NC(=O)CN1CCO[C@@H](c2ccccc2)C1 29533297 XIFOXBMFHMHEEA-CQSZACIVSA-N 345.424 1.859 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N(C)CCOc1ccc(Cl)cc1 12778105 JXEMWLHEKREVBX-LLVKDONJSA-N 327.812 1.885 0 40 EDAB O=C(COC(=O)c1ccc(O)cc1O)NC(=O)NCc1ccccc1 3531536 LDLNGJHCLDXUFC-UHFFFAOYSA-N 344.323 1.281 0 40 EDAB CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2N)CC1 3887413 QKNXZXOCHILSCB-UHFFFAOYSA-N 338.477 1.195 0 40 EDAB C[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 63308536 PHBSFGQJCLCLFF-CHWSQXEVSA-N 339.461 1.783 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)O 49545089 FWIJZIUADHGHTN-BZNIZROVSA-N 335.404 1.128 0 40 EDAB CCCNC(=O)CN(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 8937569 ARAQXEUINYYNLU-UHFFFAOYSA-N 340.427 1.959 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(Cc3cscn3)CC2)cn1 71841461 OBVZGYCYGMEFRB-CABCVRRESA-N 331.445 1.325 0 40 EDAB O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)[C@H]1CCCN1 113832267 QWMFHXYDTMFJFP-MRXNPFEDSA-N 336.395 1.975 0 40 EDAB O=C(N[C@@H]1CNC[C@H]1O)c1ccc(CSc2ccccn2)cc1 65380302 VFUQWUNRLOPWDV-HUUCEWRRSA-N 329.425 1.436 0 40 EDAB Cc1ccn2cc(C(=O)N3CSC[C@H]3C(=O)N3CCCC3)nc2c1 65592578 RROVFPPKHQQURV-AWEZNQCLSA-N 344.440 1.780 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 6408284 FFCUFUWHCDUODV-LBPRGKRZSA-N 327.450 1.499 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCN(CC(=O)c3ccc[nH]3)CC2)c1 14112189 HGABAZULMVAVFG-UHFFFAOYSA-N 347.440 1.512 0 40 EDAB O=C(Cc1cccc2cccnc12)NC[C@@H]1CN2CCC[C@@H]2CO1 65626595 BAUPBDHBKXDFPC-IAGOWNOFSA-N 325.412 1.757 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](n3cccn3)C2)ccc1-n1cnnn1 65625393 MBWKZGNBSZLFAS-HNNXBMFYSA-N 337.387 1.645 0 40 EDAB COc1cccc(OC)c1C(=O)Nc1cccc(-n2cnnn2)c1 5488901 VRVIHJUEWZIYSH-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB COc1ccc(NC(=O)c2ccc(=O)[nH]c2)c(C(=O)NC2CC2)c1 71883088 QXWDGIPHRRYIMS-UHFFFAOYSA-N 327.340 1.528 0 40 EDAB COc1ccc(F)cc1CSCC(=O)N(C)CC(=O)NC1CC1 71862842 ZUYXQTQRIPRXIW-UHFFFAOYSA-N 340.420 1.805 0 40 EDAB COCCN(C(=O)c1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 4749856 GGZYXUYTDPOKGS-CYBMUJFWSA-N 337.397 1.709 0 40 EDAB COc1ccccc1CCN(C)C(=O)NCC(=O)N1CCCCC1 71803908 FVZRLXGPWSIFSG-UHFFFAOYSA-N 333.432 1.892 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NC2CC2)s1 71803853 TXIBGWPLYIEBJF-UHFFFAOYSA-N 345.490 1.783 0 40 EDAB Cc1cc(C(=O)NN2Cc3ccccc3C2)cc(S(N)(=O)=O)c1C 90129565 BIJIWPCWHLCOSR-UHFFFAOYSA-N 345.424 1.611 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)CCCNc2ncccn2)c1 71869816 QOJOJDPRDPBHHD-HNNXBMFYSA-N 328.420 1.865 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC(CN3CCOCC3)CC2)cn1 71830655 LVDMBIWDJLYYKQ-DLBZAZTESA-N 332.448 1.094 0 40 EDAB CN(C)C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2cccs2)CCO1 71878864 RDJHMRCWJSZYHA-HUUCEWRRSA-N 337.489 1.674 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CCC(=O)N1 68534458 UOMSPTGKIVOUPL-MRXNPFEDSA-N 326.400 1.443 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCc2cnn(C)c2)[C@@H]1c1cccc(Cl)c1 71908826 HTOXITUYPOETFZ-HOCLYGCPSA-N 346.818 1.909 0 40 EDAB O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(N2CCCC2=O)cc1 8329184 QOINYHQIABCRGZ-UHFFFAOYSA-N 349.346 1.949 0 40 EDAB COc1cc(C2(C(=O)NCCCNS(C)(=O)=O)CC2)ccc1C 69439595 BKRQEFQOXPCRGU-UHFFFAOYSA-N 340.445 1.091 0 40 EDAB Cc1cnc(C(=O)N2CCCN(Cc3cnn(C(C)C)c3)CC2)cn1 69452947 NGCISLXVJGAKJP-UHFFFAOYSA-N 342.447 1.911 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc32)cc1 71916672 FMRBXAIFJGPHQV-QGZVFWFLSA-N 344.436 1.692 0 40 EDAB Cc1cc(C(=O)N2CCN(c3nc4cccnc4s3)CC2)n(C)n1 69533991 YMVBQVYLBDGCFK-UHFFFAOYSA-N 342.428 1.696 0 40 EDAB Cn1c(SCc2noc(-c3ccoc3)n2)nnc1N1CCOCC1 69569462 KZMCZDNXLQQPDC-UHFFFAOYSA-N 348.388 1.587 0 40 EDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC(=O)O)c1 9513227 KVNRPMUQPTUMPX-UHFFFAOYSA-N 348.808 1.185 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@H](C)C2CCC2)CC1 97049791 JLPAEAXFUKBKHT-LLVKDONJSA-N 340.493 1.958 0 40 EDAB CCOC(=O)N1CCC[C@H](C(=O)NC[C@H](CO)Cc2ccccc2)C1 72290266 YBHGXUZDEVCPCZ-SJORKVTESA-N 348.443 1.822 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCNc1ncccn1 72234082 AVKCXCGAEDBKCE-CQSZACIVSA-N 328.420 1.993 0 40 EDAB OC[C@@H]1CCCN1c1cc(NCc2ccc3c(c2)OCO3)ncn1 72275957 OLKRQZYPSKFWTL-ZDUSSCGKSA-N 328.372 1.779 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)C3=NN(CC)C(=O)CC3)C2)no1 72271433 MHERZSZPTBHPQT-LLVKDONJSA-N 333.392 1.336 0 40 EDAB CN1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2O)CCC1=O 84404244 VZCHQZIUARZOPY-NSHDSACASA-N 332.335 1.068 0 40 EDAB CN1CCC(NC(=O)[C@@H](Cc2ccccc2)N2CCCOC2=O)CC1 95350188 AWEWNWIOXZLSOY-QGZVFWFLSA-N 345.443 1.650 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1-n1cnnn1 95478580 PBJWCEMSKVSFLG-QAPCUYQASA-N 341.415 1.738 0 40 EDAB Cc1nc(C(=O)NCc2ccc(CN3CCCN(C)CC3)cc2)no1 95452129 FKWDURJCHOORNW-UHFFFAOYSA-N 343.431 1.446 0 40 EDAB NS(=O)(=O)CC1CCN(Cc2cccc(Br)c2)CC1 95995365 PDMOBEFEDOEUME-UHFFFAOYSA-N 347.278 1.950 0 40 EDAB COc1ccnc(NNC(=O)CSc2nc3ccccc3[nH]2)n1 89484088 VQLDLNDYANHYHY-UHFFFAOYSA-N 330.373 1.597 0 40 EDAB Cc1c(I)cccc1C(=O)NCc1nc[nH]n1 89540368 VQYXTTDZTHVQBU-UHFFFAOYSA-N 342.140 1.648 0 40 EDAB CC(C)c1ccc([S@](=O)CC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 89893440 WMNPDAZVRATHMN-FATZIPQQSA-N 336.457 1.642 0 40 EDAB O=C1NC[C@H](C(=O)N[C@H](COc2ccccc2F)c2ccccc2)N1 89826395 JNZQWOAJYZDEBE-HUUCEWRRSA-N 343.358 1.743 0 40 EDAB O=C(c1nn(-c2ccccc2F)cc1O)N1CCC2(CC1)OCCO2 89821305 KWQLOBWFNSATQJ-UHFFFAOYSA-N 347.346 1.696 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@@H]1N(C)C 89948349 PYORABOOTQFOCN-NYCLONFESA-N 344.459 1.400 0 40 EDAB CN(C)C(=O)c1cccc(NC(=O)COc2ccccc2CO)c1 75572462 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0 40 EDAB COc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 37867475 CHRPYWHMAGFTPE-ZIAYSOEUSA-N 345.351 1.375 0 40 EDAB CCN(C[C@H]1CCN(C(=O)[C@H](C)N)C1)C(=O)OCc1ccccc1 79412872 HKVZWUWLLAEFQS-GOEBONIOSA-N 333.432 1.841 0 40 EDAB Cc1cc(Br)ccc1NC(=O)C(=O)NCCCN(C)C 42646390 RKPFDDTXCMUYBH-UHFFFAOYSA-N 342.237 1.764 0 40 EDAB COc1ccc([C@H](NS(=O)(=O)C2(C)CC2)c2nccn2C)cc1 570898388 BHRPUMJWXHVBRR-AWEZNQCLSA-N 335.429 1.990 0 40 EDAB COc1ccccc1NC(=O)Nc1cnn(CC(=O)NC2CC2)c1 48356077 IHEUHUCGNAGKLR-UHFFFAOYSA-N 329.360 1.814 0 40 EDAB COc1cc(OC)cc([C@H](C(=O)O)N2CCC[C@@H](n3ccnn3)C2)c1 575755493 QLXHYQDDTDSVJC-CZUORRHYSA-N 346.387 1.758 0 40 EDAB COCCOc1ccc(CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)cn1 225520819 QKTFKMLEMARCBI-AWEZNQCLSA-N 344.415 1.560 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3[C@H]2CCN3CC2CCOCC2)cn1 96184448 AVGKTZCVNGVCBT-DLBZAZTESA-N 330.432 1.500 0 40 EDAB CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)Cc3cccs3)C2)O1 96063337 YYJCYROHAKEEQE-RHSMWYFYSA-N 338.473 1.629 0 40 EDAB CCO[C@H](CC)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C 577532919 SIRPLULCWBYKQB-FRFSOERESA-N 348.447 1.546 0 40 EDAB CN1CC[C@@H](NC(=O)CCc2ccc(Br)cc2)C1=O 96451337 CWPYOGHAWUINPJ-GFCCVEGCSA-N 325.206 1.729 0 40 EDAB Cc1noc(C)c1CN1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 96202304 RRSQMWPCLNKOSM-SFHVURJKSA-N 343.431 1.810 0 40 EDAB O=C([C@@H]1CCOC1)N1CCc2onc(COc3ccccn3)c2C1 96260021 FNUOLEGRXWEWAE-GFCCVEGCSA-N 329.356 1.570 0 40 EDAB O=C(NCC[S@](=O)c1ccccc1)C(=O)Nc1cccc(F)c1 96409030 PBAALKLLVPCFDN-HSZRJFAPSA-N 334.372 1.688 0 40 EDAB Cn1ccnc1C(=O)N[C@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 96186882 JOMVJPNRTPMYON-RRFJBIMHSA-N 346.456 1.643 0 40 EDAB Cc1ccoc1C(=O)NCCCNC(=O)N[C@@H](C)c1cn(C)nc1C 96415425 BVXZABJJVFPCLR-LBPRGKRZSA-N 347.419 1.810 0 40 EDAB Cn1ccnc1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 96421357 IKOIWIHSEZODQF-OAHLLOKOSA-N 348.834 1.877 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccn1)C2 96039560 IUALFUOKFZVZTC-MJGOQNOKSA-N 347.459 1.671 0 40 EDAB CCN1CCCC[C@H]1C(=O)Nc1cc(Br)c(=O)n(C)c1 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O=C(N[C@H](CO)CC1OCCO1)N[C@@H]1CCCOc2ccccc21 1615054988 DXJPUEFJNGBZJO-GXTWGEPZSA-N 336.388 1.323 0 40 EDAB Cc1ncc(CNC(=O)C(C)(C)NC(=O)c2ccccc2)c(N)n1 1615046917 NPJWRSZQBQFZFY-UHFFFAOYSA-N 327.388 1.192 0 40 EDAB COCCN1CC[C@@]2(CN(Cc3cc(C)on3)CC(F)(F)C2)C1=O 585093102 BXRCTUQQHSPBNX-OAHLLOKOSA-N 343.374 1.689 0 40 EDAB Cc1ccc(C[C@]2(CO)CN(C(=O)c3ccnnc3)CCO2)cc1 585276515 PJSUFFRUEJQQFB-GOSISDBHSA-N 327.384 1.231 0 40 EDAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2ccccc2C)Cc2ccnn21 585111890 IKIZDCCPZJIQOB-CQSZACIVSA-N 348.428 1.073 0 40 EDAB COCCOc1cccc(NC(=O)NCCNc2ncccn2)c1 69418603 YYVOPBBDGFCFEH-UHFFFAOYSA-N 331.376 1.735 0 40 EDAB Cn1c(CN2CCC(c3ccc(F)c(F)c3)CC2)cc(=O)n(C)c1=O 69659525 PPBUYEYUZFGUHN-UHFFFAOYSA-N 349.381 1.742 0 40 EDAB Cn1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1=O 55210446 IFPALSDSESBWEG-UHFFFAOYSA-N 332.303 1.773 0 40 EDAB CCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1 54039542 PKMRVTGQPQDNRH-UHFFFAOYSA-N 345.417 1.666 0 40 EDAB CCc1nc(CN2CCN(C(=O)/C=C/c3ccc(C)o3)CC2)no1 78778048 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C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(S(N)(=O)=O)cc1 32768391 RDHBMDPRGZPHNC-BZNIZROVSA-N 346.408 1.515 0 40 EDAB C[C@@H]1CN(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cn2)C[C@@H](C)O1 30018594 DYPAXEWEIWVWOP-CHWSQXEVSA-N 346.431 1.033 0 40 EDAB Cc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)o1 30584038 BBALXTXDYFVURK-MMQHEFTJSA-N 326.418 1.532 0 40 EDAB Cc1ccc(OCCNC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1 31242138 WSXOYUNOZNPZKU-UHFFFAOYSA-N 327.340 1.942 0 40 EDAB CCN(CC)[C@@H](CNC(=O)C1=NN(C)C(=O)CC1)c1ccsc1 31985728 KUZMTZGZKZVPKG-AWEZNQCLSA-N 336.461 1.855 0 40 EDAB COC(=O)COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)OC2(C)C 101714943 IPFVAMFIRGYPJX-NSHDSACASA-N 345.351 1.431 0 40 EDAB Cc1cc(C)c(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)c(C)c1 32689156 FDAAOSRUMCOEIT-UHFFFAOYSA-N 329.356 1.504 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)C1 41128469 AXKBIZNCVPFLJX-GXFZAYBSSA-N 336.775 1.458 0 40 EDAB COc1ccc(CNC(=O)c2ccc(Cn3ccccc3=O)o2)cn1 32902530 NGKOQCLUWRPGRG-UHFFFAOYSA-N 339.351 1.823 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 32907744 GARZXPOAEVTFTK-NXEZZACHSA-N 347.337 1.542 0 40 EDAB CCNc1nc(NCC)nc(NS(=O)(=O)c2ccc(N)cc2)n1 495625 QBJVLWWNEDGBIP-UHFFFAOYSA-N 337.409 1.118 0 40 EDAB COc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O 416213 SCXVSQBNRCPMLE-UHFFFAOYSA-N 341.392 1.972 0 40 EDAB Cn1cnc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)n1 92377546 XBVNUZWTWVZHEW-HUUCEWRRSA-N 329.404 1.613 0 40 EDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(C)=O)c(OC)c1 324245 PNWYGDIEHFCMIH-HNNXBMFYSA-N 348.355 1.812 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1cccnc1)C1CCCCC1 574930 BTVRDUKSMMUEKV-UHFFFAOYSA-N 325.434 1.292 0 40 EDAB CCn1nc(C)c(S(=O)(=O)Nc2cccc(CC(=O)O)c2)c1C 76082302 VLIKPWZMCLRBCM-UHFFFAOYSA-N 337.401 1.948 0 40 EDAB Cc1noc(CN2CCN(CCC(=O)Nc3ccccc3F)CC2)n1 69582350 MAJWAKQEXQVRBI-UHFFFAOYSA-N 347.394 1.664 0 40 EDAB CNNC1=NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2S1 1638036 LOFUNGISFCXQDP-UHFFFAOYSA-N 335.794 1.001 0 40 EDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1=NN(C)C(=O)CC1 21962694 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40 EDAB CNC(=O)[C@H]1CN(Cc2cccc(C(N)=O)c2)c2ccccc2O1 47461580 DXKMDYWILLMVQA-MRXNPFEDSA-N 325.368 1.299 0 40 EDAB Cc1cc(NC(=O)CCSCc2nc(N)nc(N(C)C)n2)no1 23079143 SGQZTCISHUHJFY-UHFFFAOYSA-N 337.409 1.078 0 40 EDAB C[C@H](NC[C@H](O)CN1CCOCC1)c1ccc(-n2ccnc2)cc1 23654368 ZPLBGSNLTGOVMY-YJBOKZPZSA-N 330.432 1.216 0 40 EDAB CCN(CC)CCNC(=O)[C@@]1(C)Sc2ccccc2N(C)C1=O 57279911 CXYJWORTXBAWFA-QGZVFWFLSA-N 335.473 1.972 0 40 EDAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646790 GCGMPWGQRXTVMA-IGNRKKQASA-N 343.379 1.983 0 40 EDAB Cc1cc(COC(=O)c2cc(S(N)(=O)=O)ccc2Cl)on1 24420561 PSWLGBANQUAQLG-UHFFFAOYSA-N 330.749 1.641 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 24831143 FFRVHHCFDMDLHW-NWDGAFQWSA-N 349.456 1.402 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccccn2)C1=O 55517163 RJBOICZHALPFQY-RDTXWAMCSA-N 342.399 1.466 0 40 EDAB O=C(Nc1ccncc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 56499536 LOCHETHWMBTWTM-UHFFFAOYSA-N 347.400 1.015 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)N[C@@H]2CCc3nccn3C2)C1=O 97197901 TXYYFKKWVWMTCO-QWHCGFSZSA-N 340.383 1.128 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(O)c(OC)c2)C1=O 100472732 JIYROKKRJQPDCO-RUDMXATFSA-N 340.719 1.120 0 40 EDAB COCCn1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 57428559 SGUBPXQTAGKAOC-LBPRGKRZSA-N 336.413 1.205 0 40 EDAB COc1ncccc1CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 57990891 SXQKAODJTDJOBM-NSHDSACASA-N 332.326 1.526 0 40 EDAB O=S(=O)(c1cccs1)N1CCN(C[C@H](O)c2ccco2)CC1 27204695 ARFWJPBHKUWUQC-LBPRGKRZSA-N 342.442 1.381 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)COC[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 101244437 ACRQKMKKIIBDSE-QBPKDAKJSA-N 340.464 1.574 0 40 EDAB CS(=O)(=O)N1CCC[C@H](Cc2cnc(Br)cn2)CC1 72343956 CTKYSMIUVRTPAK-JTQLQIEISA-N 348.266 1.843 0 40 EDAB COC(=O)CNC(=O)COC(=O)c1ccccc1Nc1ccccc1 3325650 DEZIYTNXDUOGGX-UHFFFAOYSA-N 342.351 1.876 0 40 EDAB O=C(CCN1CCSC1=O)N1CCN(Cc2ccncc2)CC1 44874003 QFEQYAQWWQKOIL-UHFFFAOYSA-N 334.445 1.285 0 40 EDAB Cc1cc(C)cc(OC[C@@H](O)CN2CCN(c3ncccn3)CC2)c1 44866874 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EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 29190404 GPUJMHXRMWCLRO-ZDUSSCGKSA-N 344.864 1.813 0 40 EDAB C[C@@H]1CN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C[C@@H](C)O1 45846463 WJCZLZNHBSTHTG-HUUCEWRRSA-N 347.463 1.152 0 40 EDAB Cc1n[nH]c(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)n1 11699827 INJGMQRMRVWQOD-UHFFFAOYSA-N 331.401 1.969 0 40 EDAB Cc1cc(C)c(CN2CCC[C@H](CNS(N)(=O)=O)C2)c(C)c1 69777823 CABQRMHFDJYAED-OAHLLOKOSA-N 325.478 1.617 0 40 EDAB CN1CCC(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 63091108 QZGWUEHLVKXBEE-KRWDZBQOSA-N 329.444 1.431 0 40 EDAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 13341183 MOHDMLZLCLODMH-NSHDSACASA-N 327.358 1.086 0 40 EDAB Nc1nc(SCC(=O)Nc2nccs2)nc(-c2ccncc2)n1 8878287 BXSGEORNOKNUDD-UHFFFAOYSA-N 345.413 1.703 0 40 EDAB CCCCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 49458055 VKIMRSRNRCZAQU-UHFFFAOYSA-N 341.252 1.688 0 40 EDAB CN(CCN1CCCC1=O)C(=O)c1ccc(C(=O)NC(C)(C)C)cc1 69814927 SQRYJHPRYULTLS-UHFFFAOYSA-N 345.443 1.909 0 40 EDAB Cc1nc(CN2CCC[C@H](NCC(=O)N[C@@H](C)c3ccco3)C2)no1 69925536 PTFQAYXHBCNYCC-JSGCOSHPSA-N 347.419 1.402 0 40 EDAB COc1ccc(NCC(=O)NC(=O)NC2CC2)cc1OC(F)F 23902732 QWJWVMFKEUPQEV-UHFFFAOYSA-N 329.303 1.697 0 40 EDAB COc1ccccc1N1CCN(c2ncnc3c2CN(C)CC3)CC1 65465872 ODQMAMISHUTIIK-UHFFFAOYSA-N 339.443 1.800 0 40 EDAB Cc1nc(CNC(=O)N[C@H]2CCCc3c2cnn3CCO)cs1 65444435 PXQRBDRPNSVEMC-ZDUSSCGKSA-N 335.433 1.517 0 40 EDAB CC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 65535947 LNUSAXZWNBGMSL-UHFFFAOYSA-N 341.252 1.686 0 40 EDAB Cc1nn(CN(C)Cc2ccccc2)c(C)c1S(=O)(=O)N(C)C 14245551 VSLBELWDICDTSK-UHFFFAOYSA-N 336.461 1.840 0 40 EDAB CCc1ccc(OC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1 14244786 QQIYDFIEVZGQAL-AWEZNQCLSA-N 332.400 1.853 0 40 EDAB O=C(OCC(=O)c1cc2c3c(c1)CC(=O)N3CCC2)C1=COCCO1 6610763 COGNUEQYAFIJDB-UHFFFAOYSA-N 343.335 1.136 0 40 EDAB O=C(N[C@@H]1CCSC1=O)c1cc2c(=O)n3ccccc3nc2s1 5610110 IGUHIVGNXOZYCB-SECBINFHSA-N 345.405 1.671 0 40 EDAB Cc1nc(-c2ccccc2)n(CC(=O)NC(C)C)c(=O)c1CCO 67300291 BGNSINNSPWBUJC-UHFFFAOYSA-N 329.400 1.278 0 40 EDAB Cc1ccnc(OCC[C@H]2CO[C@H]3CN(c4ncccn4)C[C@@H]23)n1 306132136 KZUWTHMFHLXDEQ-KKUMJFAQSA-N 327.388 1.495 0 40 EDAB CNC(=O)c1ccc(CN(C)[C@H]2CCN(c3ccccc3)C2=O)o1 68828298 MKKCUJZEXVSOIP-HNNXBMFYSA-N 327.384 1.877 0 40 EDAB CCn1nnc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)ccc21 16512395 JCOVQJWZKVHPBK-UHFFFAOYSA-N 325.372 1.686 0 40 EDAB CN(C)C(=O)Cn1cc2c(n1)[C@H](NC(=O)c1ccccc1F)CCC2 96002938 AFHSWMKWIBBIJC-OAHLLOKOSA-N 344.390 1.918 0 40 EDAB CNC(=O)Cn1cc(NS(=O)(=O)c2cc(F)ccc2Cl)cn1 69434687 CLVNSCPCGVBMFA-UHFFFAOYSA-N 346.771 1.222 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)c3cnc4sccn4c3=O)C2)c1 69453620 SFRBDSLGDLQWFR-LBPRGKRZSA-N 343.412 1.738 0 40 EDAB CCn1ccnc1CN1CCN(CC(=O)N(C)c2nccs2)CC1 69444131 SJFSAHMWQHUEIM-UHFFFAOYSA-N 348.476 1.140 0 40 EDAB O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cccn2ccnc12 69492800 JXFWNLXRRNEORW-UHFFFAOYSA-N 349.394 1.764 0 40 EDAB O=C(Nc1ccncc1)c1ccc(=O)n(CCOc2ccccc2)n1 9336815 RDXFNRNJRJGCML-UHFFFAOYSA-N 336.351 1.970 0 40 EDAB NC(=O)COc1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)cc1 71796545 WCKDNQOCERRGFC-AWEZNQCLSA-N 328.372 1.225 0 40 EDAB Cn1cc([C@@H]2OCC[C@@H]2CNCc2ccc(OCC(N)=O)cc2)cn1 84317497 VBWHEWIMKDVSIV-RDTXWAMCSA-N 344.415 1.152 0 40 EDAB CC(=O)N1CCN(CCc2nc(-c3ccc4cc[nH]c4c3)no2)CC1 72405970 DZYKZAJQRDLSOE-UHFFFAOYSA-N 339.399 1.925 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 71869789 XDNIPIXGJHRUHN-CYBMUJFWSA-N 325.372 1.666 0 40 EDAB CCCn1nc(C(=O)N2CCCC[C@H]2Cn2cc(C)cn2)ccc1=O 71865685 VTOWQXHLDPCEDA-HNNXBMFYSA-N 343.431 1.853 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(-c2nc[nH]n2)cc1 71893331 HNBJTHUESXSSAR-UHFFFAOYSA-N 349.350 1.836 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cc(C)nc3onc(C)c13)C2 71864841 VKVNKEJBOSJCQS-UHFFFAOYSA-N 326.360 1.650 0 40 EDAB Cc1cc(C)n(C2CN(CC(=O)N3CCC(c4ccccc4)=N3)C2)n1 71880704 IHJCFNZPNHEBRP-UHFFFAOYSA-N 337.427 1.993 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCSCC3)cnc21 71821005 LRFIYJVTSQDVRF-UHFFFAOYSA-N 348.428 1.074 0 40 EDAB C[C@H](NC(=O)CC1CCCCC1)C(=O)N(C1CC1)[C@H]1CC(O)=NC1=O 71862933 QJKSLAQAQZHKFD-FZMZJTMJSA-N 349.431 1.708 0 40 EDAB C[C@H]1CN(CC(=O)N(C)Cc2ccsc2)CCN1C[C@@H](C)O 71864325 ZXNLUKMKVJXVTN-UONOGXRCSA-N 325.478 1.093 0 40 EDAB O=C(CSc1ccccc1)N[C@H]1CCN(CCN2CCOCC2)C1 71908949 PNXGOCAOKSPSEO-INIZCTEOSA-N 349.500 1.301 0 40 EDAB COC[C@H](C)N1CCN(S(=O)(=O)c2cc(C)ccc2F)CC1 71921593 KGLDUQRKUYONOO-ZDUSSCGKSA-N 330.425 1.475 0 40 EDAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 9724788 JACSKSTVNFKHFZ-ONGXEEELSA-N 349.811 1.892 0 40 EDAB CN1CCCN(C(=O)COc2cccc(N3CCCC3=O)c2)CC1 96956466 FOPNNGWUVYOKKF-UHFFFAOYSA-N 331.416 1.356 0 40 EDAB C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1 95393292 PEBMQKXLKSGZDY-LBPRGKRZSA-N 335.381 1.961 0 40 EDAB COCCCNC(=O)C1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 97034096 OCZIZINCFGTLNA-ROUUACIJSA-N 332.444 1.509 0 40 EDAB COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@@H](C)CN1CCN(C)CC1 72270048 STKMBQFVBMCLLA-JKSUJKDBSA-N 348.491 2.000 0 40 EDAB O=C1Cc2cc(CCCC(=O)N[C@H]3CCc4nccn4C3)ccc2N1 72273715 KPOHJAQIHZZZPD-HNNXBMFYSA-N 338.411 1.832 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)n1 84630879 JGWMLZNJDZDMLX-KBPBESRZSA-N 347.394 1.667 0 40 EDAB CC(C)[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCCS1(=O)=O 95972238 YFCCICXWRFFIDS-CQSZACIVSA-N 340.401 1.414 0 40 EDAB CCCc1noc(CCCC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 75118760 WSLUTKKVNWXMAF-UHFFFAOYSA-N 332.404 1.966 0 40 EDAB O=C1OCC[C@@H]1N1CCN(Cc2ccc(Br)s2)CC1 89800308 RBIGIAKLTLLPDY-NSHDSACASA-N 345.262 1.944 0 40 EDAB CCOC(=O)CNC(=O)CSc1nnc(-c2cccs2)o1 4186162 ZGOBWDSQYPDGHQ-UHFFFAOYSA-N 327.387 1.570 0 40 EDAB Cc1nn(C)cc1CN1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)O)CC1 36611009 FFGWFCFJTNACMP-HZPDHXFCSA-N 346.431 1.040 0 40 EDAB COc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 408669750 RWWAYVKKBKKEKS-LIDJKPORSA-N 330.336 1.619 0 40 EDAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(CO)C=C[C@@]2(C)O1 408975562 NCAYHYXERLHWRB-CLROSIBMSA-N 333.771 1.844 0 40 EDAB NC(=O)[C@@]1(CCCc2ccncc2)CCCN(Cc2ncc[nH]2)C1 72367220 WREMWZQUPMNIMU-SFHVURJKSA-N 327.432 1.895 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)NCCCN1CCOCC1 35525264 OFEXGOCLZODPPX-UHFFFAOYSA-N 328.434 1.004 0 40 EDAB Cc1cc2c(=O)n3c(nc2s1)CCN(Cc1cnn(C)c1C)CC3 72397015 LRQXPIQTIWMRHH-UHFFFAOYSA-N 343.456 1.867 0 40 EDAB CC(C)CNC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CCNCC1 72394734 BVRGNVIGIPKQLR-AWEZNQCLSA-N 335.448 1.863 0 40 EDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(F)c1 226686843 CKCPDAZUNRYLRH-UHFFFAOYSA-N 332.397 1.371 0 40 EDAB CCOC(=O)Cc1cccc(NC(=O)Nc2ccn(CCO)n2)c1 527330119 AZGTUXPWLSEOAN-UHFFFAOYSA-N 332.360 1.625 0 40 EDAB O=C1NC(=O)C2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)N1 263981887 QHADQTLLEFLQIE-UHFFFAOYSA-N 327.306 1.879 0 40 EDAB CCCn1ncc(CNC(=O)C(=O)Nc2ccc(OC)nc2)c1C 40267991 COJYJBSWUBGGFE-UHFFFAOYSA-N 331.376 1.260 0 40 EDAB O=C(NCCCNS(=O)(=O)c1ccccc1Cl)c1ccc[nH]1 330031739 CMZPLCSVJGNLNK-UHFFFAOYSA-N 341.820 1.767 0 40 EDAB CCC[C@@H]1CN(Cc2nc(N)nc(N)n2)CCN1Cc1ccccc1 96493217 AZLOUHPLGZILEX-OAHLLOKOSA-N 341.463 1.523 0 40 EDAB C[C@H]1CN(Cc2cccnc2)C[C@@]12COCCN(C[C@@H]1CCOC1)C2 96202389 PSKWXYMWDPHRRH-IHPCNDPISA-N 345.487 1.888 0 40 EDAB Cc1cc(Br)cc2cc(C(=O)NCCNC(N)=O)oc12 92352484 CDZOBJVDXBVZMH-UHFFFAOYSA-N 340.177 1.902 0 40 EDAB CCOc1ccc(Cl)cc1CCNC(=O)[C@@H]1CN(C)CCO1 96485030 GKXKSFBEEKSIFR-HNNXBMFYSA-N 326.824 1.728 0 40 EDAB Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4cnn(C)c4)CCN3C2)n1 96110694 ZPBMFJWMBZOQNU-RTBURBONSA-N 341.459 1.599 0 40 EDAB CCC1(CC)CN(C(=O)c2c(O)cccc2F)CCS1(=O)=O 331224906 BWWZFHWIKIZHDD-UHFFFAOYSA-N 329.393 1.961 0 40 EDAB CN(C)CCn1c2c(ccc1=O)C[C@@H](NCc1cccnc1)CC2 96189640 WPNCGYQPZABPCC-KRWDZBQOSA-N 326.444 1.452 0 40 EDAB O=C1C[C@H](c2ccccc2)n2nc(NC(=O)c3cccnc3)nc2N1 95346136 VORSJCKXDZUIMF-CYBMUJFWSA-N 334.339 1.857 0 40 EDAB CS(=O)(=O)NCCNC1(c2cccc(Br)c2)CC1 96491961 DTAGAJOXUZRKEZ-UHFFFAOYSA-N 333.251 1.577 0 40 EDAB Cc1cccc(OC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)n1 96119477 IHTIQTSBGCMZSO-UHFFFAOYSA-N 328.372 1.167 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2ccccc2OC[C@@H]2CCCO2)CCO1 583650610 QCOAXKWBQJSVHP-WFASDCNBSA-N 335.356 1.170 0 40 EDAB CC(C)Oc1nccnc1N1CC[C@@](O)(c2cn(C(C)C)nn2)C1 583616648 VHFWCHAYCKZRHM-INIZCTEOSA-N 332.408 1.534 0 40 EDAB CC(C)n1cc([C@]2(O)CCCN(Cc3ncc(Cl)n3C)C2)nn1 583617368 BKCKCKRHKWCFKR-HNNXBMFYSA-N 338.843 1.730 0 40 EDAB O=C(c1ccco1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 96108776 LRZMSXXGEOPLOT-CRAIPNDOSA-N 335.400 1.811 0 40 EDAB O=C(C1CCC(F)(F)CC1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257244845 INBAHHTYXHJUMO-GJZGRUSLSA-N 346.418 1.496 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2scnc2C)n1 257317901 VLPZVCSFQRQAHD-LLVKDONJSA-N 333.417 1.805 0 40 EDAB CCc1nnsc1C(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C 257329970 XMFUGDJRJBAKFN-ZDUSSCGKSA-N 346.460 1.896 0 40 EDAB Cc1nccc(C(=O)N2C[C@H]3CC[C@@H](N(C)c4cccnn4)[C@H]3C2)n1 257284205 PBSULQJUNHPZKD-IJEWVQPXSA-N 338.415 1.562 0 40 EDAB CC(=O)N1CCC[C@H](Cc2nccnc2-c2cnc3ncccn23)C1 257311979 ULWHPCYJUNAMNK-CQSZACIVSA-N 336.399 1.987 0 40 EDAB NC[C@]1(N)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 252515630 MHPHAHDETPUDMN-BBWFWOEESA-N 346.408 1.011 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(Cc2cccc(Br)c2)C1 257257340 KPCZPTWENZGBRN-ZDUSSCGKSA-N 340.265 1.559 0 40 EDAB CO[C@H](CN1CC[C@@H](S(=O)(=O)NC(C)C)C1)c1ccccc1 252483004 DSEPMBBLYYXZMU-HZPDHXFCSA-N 326.462 1.776 0 40 EDAB CC(C)(C)c1nc(C(=O)N2C[C@@H](C(=O)O)CC[C@@H]2C(=O)O)cs1 585134255 KCUAJJIRDKBLBP-WCBMZHEXSA-N 340.401 1.831 0 40 EDAB CCCCNC(=O)[C@@H](C)N1C[C@H](c2ccc(O)cc2)[C@@H](C(=O)OC)C1 585116469 XKSZJCCVPWCZOR-XYPHTWIQSA-N 348.443 1.885 0 40 EDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)c1cccc(Cl)n1 585128580 GPRFJDMJINCLSC-UHFFFAOYSA-N 344.780 1.460 0 40 EDAB CC[C@H]1C(=O)NCCN1C[C@H](CC(F)F)NC(=O)OC(C)(C)C 585117519 JEZKGQJPZUAVOE-QWRGUYRKSA-N 335.395 1.745 0 40 EDAB O=C(c1cnco1)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 257300908 RWENNFKVWUBUBA-GFCCVEGCSA-N 327.344 1.049 0 40 EDAB CN(C)c1cncc([C@H]2CCCN2S(=O)(=O)c2cccnc2)n1 257329045 XIDKCXZJCHPSAW-CQSZACIVSA-N 333.417 1.463 0 40 EDAB CN1C(=O)CO[C@@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C[C@@H]21 257343026 ZRCYJXTXDXMLPH-QWHCGFSZSA-N 326.755 1.551 0 40 EDAB Cc1cccc(CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)c1 257344039 ZVNACZFUOGWMKS-IRXDYDNUSA-N 338.473 1.356 0 40 EDAB COCCN1C(=O)N[C@@H]2CN(Cc3cccc(F)c3F)CC[C@@H]21 585655629 NNKORLCURCAACJ-KGLIPLIRSA-N 325.359 1.579 0 40 EDAB Cc1ccc2nc(C(=O)N3CC[C@@H]4OCC(=O)N(C)[C@H]4CC3)cn2c1 257292308 QKWXWSZABLXETK-GJZGRUSLSA-N 342.399 1.105 0 40 EDAB CCOC(=O)c1cnn2ccc(NC(=O)c3cccn(C)c3=O)cc12 85471515 SIYUALASHGOSKN-UHFFFAOYSA-N 340.339 1.462 0 40 EDAB COc1cc([C@@H](C)NC(=O)c2cc(C)on2)ccc1S(C)(=O)=O 1615616318 XZBISQADZUBFJE-SNVBAGLBSA-N 338.385 1.886 0 40 EDAB O=C(CN1CCN(c2nc(C(F)(F)F)co2)CC1)N1CCCC1 606445162 RCWAALIFCAWRND-UHFFFAOYSA-N 332.326 1.438 0 40 EDAB CC1(CNC(=O)Nc2ccnc(O[C@@H]3CCOC3)c2)CCNCC1 1614365470 FNCJUTUOCDKUKY-CQSZACIVSA-N 334.420 1.761 0 40 EDAB Cc1ccccc1[C@@H](NC(=O)NCCn1ccc(O)nc1=O)C1CC1 1615058436 ZBVSAYFOUQEWSS-INIZCTEOSA-N 342.399 1.708 0 40 EDAB COC[C@H]1CC[C@H]1NC(=O)Cc1csc(NC(=O)C(C)C)n1 1615001272 NYBUTSSGDRGYRS-ZYHUDNBSSA-N 325.434 1.821 0 40 EDAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cncn2)nn1 96097840 PCJYDWPGOCVJNI-UHFFFAOYSA-N 333.355 1.511 0 40 EDAB CCc1ccc(C(=O)NCc2nc(OC)nc(N3CCCC3)n2)cc1 575603809 LCRNCSQGRCENNY-UHFFFAOYSA-N 341.415 1.973 0 40 EDAB O=C(CN1CC[C@](O)(COc2ccc(F)cc2)C1)NC1CCCC1 585277978 ZENYKNGQHYRGNA-GOSISDBHSA-N 336.407 1.700 0 40 EDAB COc1ncc(CN2CC[C@](O)(COc3ccccc3C)C2)cn1 585275365 AWIVTQHDTOVADJ-GOSISDBHSA-N 329.400 1.809 0 40 EDAB O=C(O)CN1CC[C@@H](Oc2nc(-c3ccccc3Cl)no2)C1=O 663218904 FAQRXRWELVPKBC-SNVBAGLBSA-N 337.719 1.454 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3cnco3)CCN2C(C)=O)cc1 585178496 ORLDFCYDVADXPV-OAHLLOKOSA-N 329.356 1.729 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)Cn2ccnc2)CCO1 585275219 APKZNDSSHXRJGO-SFHVURJKSA-N 329.400 1.024 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)CSc1ccc(F)c(F)c1 66367164 XKBQHBLRXDDVCU-SECBINFHSA-N 337.413 1.948 0 40 EDAB O=C(Nc1cnn(-c2ccccc2)n1)N[C@H]1CCN(CC(F)F)C1 930637949 WRBZNPWOEMGXSG-NSHDSACASA-N 336.346 1.728 0 40 EDAB Cc1csc(N2CCN(C(=O)CN3CCCCCC3=O)CC2)n1 30702941 HOLVFOXXEASALW-UHFFFAOYSA-N 336.461 1.503 0 40 EDAB O=C([C@@H]1CSCN1C(=O)Cc1cn2ccccc2n1)N1CCCC1 69509107 KWYWEBAGCYEEDA-AWEZNQCLSA-N 344.440 1.401 0 40 EDAB C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1CC(=O)NC(=O)NC1CC1 69663796 IQAXVMNHZQTOMM-IGCXYCKISA-N 331.416 1.825 0 40 EDAB c1ncn(C[C@@H]2CN(Cc3nc(-c4ccsc4)no3)CCO2)n1 69810405 AOCPSWWCQCOIKM-LBPRGKRZSA-N 332.389 1.291 0 40 EDAB CN(c1ccccc1)S(=O)(=O)c1ccccc1S(N)(=O)=O 71916520 WOSCMOJORHOOGX-UHFFFAOYSA-N 326.399 1.159 0 40 EDAB CCn1cnnc1CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 58357211 QXTFSHZSRXZDEB-HNNXBMFYSA-N 345.422 1.966 0 40 EDAB CCc1nc([C@@H]2CCCN2C[C@H](O)COC[C@@H]2CCCO2)no1 75581802 FPQCTDUPNQZLIU-IHRRRGAJSA-N 325.409 1.325 0 40 EDAB C[C@H](NC(=O)N1CCCN(CC(F)(F)F)CC1)c1cnn(C)c1 78953084 NCBMVLHLKDOJOR-NSHDSACASA-N 333.358 1.761 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)CN(C)C1CCS(=O)(=O)CC1 79469895 JFPYTBOEJIGUPQ-UHFFFAOYSA-N 342.436 1.293 0 40 EDAB Cc1nnc(CN(C)[C@@H]2CCN(CCOc3cccc(F)c3)C2)n1C 89735995 ARDYHGWKEPUSOF-MRXNPFEDSA-N 347.438 1.848 0 40 EDAB Cn1ncc(Br)c1CC(=O)N[C@]12CCC[C@@H]1NCC2 1579998548 QJSXEFJMWYFAEJ-AAEUAGOBSA-N 327.226 1.126 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CN(C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)C1 84092198 ATQYLVNRVFXKPQ-BARDWOONSA-N 330.494 1.388 0 40 EDAB COc1cccc(S(=O)(=O)NCC2(OCCO)CCCC2)c1 888107177 VXMDFUDIIFPGSP-UHFFFAOYSA-N 329.418 1.295 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCCCCC3)n2)o1 12182705 QAULIAGAICAPJP-UHFFFAOYSA-N 330.388 1.797 0 40 EDAB CCCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(OC)cc3)nc21 12242250 MNGXBNSOOUZSRQ-UHFFFAOYSA-N 327.344 1.304 0 40 EDAB COc1ccc(CC(=O)NCCc2nc(-c3cccnc3)n[nH]2)cc1 12328513 VGSJNTRKCSRZRP-UHFFFAOYSA-N 337.383 1.777 0 40 EDAB CCn1nc(C)c(CNC(=O)c2nc(-c3ccncc3)no2)c1C 12409918 HOBIAZIQKWEPNG-UHFFFAOYSA-N 326.360 1.895 0 40 EDAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1 16681733 FYYSCWHMZOMXTD-UHFFFAOYSA-N 340.445 1.866 0 40 EDAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 17067684 VQJTVMMIYKOCSX-FXUDXRNXSA-N 330.384 1.213 0 40 EDAB CC(=O)N1CCC(c2cc(N(C)C)nc(-c3cnccn3)n2)CC1 19016806 PANWHWJYQGPOLQ-UHFFFAOYSA-N 326.404 1.726 0 40 EDAB O=c1[nH]c(-c2cnccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 19334404 BFEHEUQNDKPFHM-UHFFFAOYSA-N 337.358 1.924 0 40 EDAB COCCN1CCN(c2nc(O)cc(-c3cnc(C)nc3C)n2)CC1 19552618 LZRWPCDPIUZIRU-UHFFFAOYSA-N 344.419 1.024 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCCN1CCCC1 19576240 PRDMVUACVHYQFM-QMTMVMCOSA-N 341.411 1.286 0 40 EDAB C[C@H](CNC(=O)NCCN1CCCOCC1)N1CCc2ccccc21 186966420 ZNPGRTTZDRERRW-MRXNPFEDSA-N 346.475 1.459 0 40 EDAB C[C@@H](CN1CCCC1=O)NC(=O)Cc1cc(Cl)cc2c1OCC2 542613748 XXTMNUAQYUNYEJ-NSHDSACASA-N 336.819 1.945 0 40 EDAB CCC[C@H](NC(=O)[C@H]1C=CCN1S(C)(=O)=O)c1cccs1 12200144 HORDYKICSKOOOX-NWDGAFQWSA-N 328.459 1.906 0 40 EDAB Cc1noc(C)c1CCC(=O)NCCn1cnc(C2CC2)cc1=O 575413774 HYNAMSNXFCSVLW-UHFFFAOYSA-N 330.388 1.475 0 40 EDAB Cc1cc(N2CCO[C@H](C(=O)N3CCSCC3)C2)nc(C2CC2)n1 1888834299 XLRLIAYCQKFIGF-AWEZNQCLSA-N 348.472 1.443 0 40 EDAB CCc1cnc(N2CCN(c3nc(C)cc(N(C)C)n3)CC2)nc1 1888857219 LCPULBHMSXKICA-UHFFFAOYSA-N 327.436 1.530 0 40 EDAB Cc1nc(C2CC2)nc(N2CCN(S(=O)(=O)C3CC3)CC2)c1C 1888866625 OZHXLZLEWHSYHC-UHFFFAOYSA-N 336.461 1.585 0 40 EDAB O=C(CN1CCO[C@@H](C(=O)N2CCCCC2)C1)NCc1ccccc1 1888928980 ZNDRVZLWVNTLKG-QGZVFWFLSA-N 345.443 1.016 0 40 EDAB Cc1cc(N2CCN(c3ncnc4[nH]ccc34)CC2)nc(N(C)C)n1 1889148866 ZLDLDRLOHOHEGH-UHFFFAOYSA-N 338.419 1.449 0 40 EDAB CC(=O)N1CCN(CC(=O)NCCc2nc3ccccc3s2)CC1 15377033 JFGFDCMBOVAFJF-UHFFFAOYSA-N 346.456 1.119 0 40 EDAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 21192833 HALROSSBKMXSAD-OAHLLOKOSA-N 333.388 1.075 0 40 EDAB COc1ccc2nnc(CNC(=O)c3nc4ccccc4s3)n2n1 238927521 UTNYCLZGRXIJQI-UHFFFAOYSA-N 340.368 1.673 0 40 EDAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3cnn4ccccc34)C2)C1 2056214966 WNKWUMLFEVYVCY-UHFFFAOYSA-N 341.415 1.600 0 40 EDAB O=C(Cc1ccc(F)cn1)N1CC2(CCN2C(=O)c2ccco2)C1 1565548369 CEDICDVPIGZIOC-UHFFFAOYSA-N 329.331 1.483 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1 15911808 VBEKMBGRUDJQSN-UHFFFAOYSA-N 330.365 1.689 0 40 EDAB COCCN1CC[C@]2(CN(C(=O)CCc3ccc[nH]3)C[C@H]2C)C1=O 2055713470 TWFHXPYHDYJRIT-RDTXWAMCSA-N 333.432 1.291 0 40 EDAB O=C(C1=CCCCC1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772671 MMVZBAGFGZUHHZ-UHFFFAOYSA-N 342.443 1.934 0 40 EDAB Cc1noc(CC(=O)N2CCC3(CC2)C[C@@H](N2CCCC2)CO3)n1 2055835555 GAJZSROZCJVRCR-CQSZACIVSA-N 334.420 1.166 0 40 EDAB Cc1nc(N2CCC(NS(=O)(=O)C3CC3)CC2)c2ccncc2n1 2086861379 JGWHZSDLVLKHKG-UHFFFAOYSA-N 347.444 1.384 0 40 EDAB O=C(NCC(=O)N1CCC[C@H](Oc2ccncc2)C1)c1ccccc1 575614246 XOTJXCBSUVJJHP-KRWDZBQOSA-N 339.395 1.881 0 40 EDAB Cc1nc(S(=O)(=O)N[C@@H]2CCN(Cc3ccsc3)C2)cn1C 618255968 BIGDKVFZPARVNM-CYBMUJFWSA-N 340.474 1.343 0 40 EDAB COc1cc(CNC(=O)c2ccn(C)c(=O)c2)cc(OC)c1OC 30561900 OODRIPVNAOBVFV-UHFFFAOYSA-N 332.356 1.341 0 40 EDAB CN(Cc1cccs1)C(=O)Cn1nnn(-c2cccs2)c1=O 31528261 AAKAKTFSOOFOMF-UHFFFAOYSA-N 335.414 1.211 0 40 EDAB CC[C@@H]1CCCC[C@@H]1NC(=O)CCn1cnc2c(cnn2C)c1=O 40516429 LINLTIYOPWCNCM-OCCSQVGLSA-N 331.420 1.605 0 40 EDAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)CN(C)S(C)(=O)=O 40541238 WQQPQYMCTREWIX-GFCCVEGCSA-N 328.434 1.542 0 40 EDAB Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)c1c([nH]c(=O)[nH]c1=O)N2 31807677 GLYRGUWRAQGRSG-SNVBAGLBSA-N 329.747 1.985 0 40 EDAB O=C1[C@H]2ON3CCOC[C@H]3[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100920551 QNBXMUGKYKVTDB-SRVKXCTJSA-N 342.273 1.209 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 20745439 QLZVZXFEVKPETR-ZDUSSCGKSA-N 347.415 1.680 0 40 EDAB CCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC)C3=O)s1 367736 HOZKZXWXGISFBC-UHFFFAOYSA-N 330.369 1.969 0 40 EDAB COC(=O)c1ccc(CN(C)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1 32824947 KMKJFOQDOAQVQJ-UHFFFAOYSA-N 347.371 1.062 0 40 EDAB Cc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1 2634268 VHEBSUGIVTYKGB-UHFFFAOYSA-N 329.385 1.972 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1ccccc1CN1CCOCC1 29980725 MBUCZCSKCHVIGD-UHFFFAOYSA-N 342.443 1.799 0 40 EDAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(N)=O)C3=O)ccc2c1 8890980 GFZFLIPCWIFNAP-KRWDZBQOSA-N 327.340 1.101 0 40 EDAB COCCOc1ccc(CNS(=O)(=O)[C@@H]2CCO[C@H]2C)cc1 97163918 JNANHTRYKGCOSS-SWLSCSKDSA-N 329.418 1.309 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N2C[C@@H](N(C)C)[C@H](C)C2)n1 78896688 UMOGPHIPLDRQDE-DGCLKSJQSA-N 339.871 1.998 0 40 EDAB Cc1ccc([C@](C)(O)CNC(=O)c2cccc(-n3cnnn3)c2)o1 78964041 FTNYODYSRCGICU-MRXNPFEDSA-N 327.344 1.201 0 40 EDAB O=C(NCCn1ccnc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 52902602 SAQYRZCTNJQVHZ-LBPRGKRZSA-N 332.791 1.706 0 40 EDAB C[C@]1(C(=O)N2CCN(S(C)(=O)=O)CC2)CCc2ccccc2C1 79373533 UYPMUEYZVKDQKR-KRWDZBQOSA-N 336.457 1.285 0 40 EDAB O=C(/C=c1/[nH]c(=O)/c(=C/c2cccc(F)c2)s1)c1ccncc1 103018481 WNFNYGYLVOXZQK-VULZFCBJSA-N 326.352 1.463 0 40 EDAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)NC1CC1 7088965 GMHCBJUNINMWFJ-GFCCVEGCSA-N 333.369 1.953 0 40 EDAB C[S@@](=O)c1nncn1Cc1nc(N)c2c3c(sc2n1)CCCC3 103923607 YYFAKQACJQHSGE-QHCPKHFHSA-N 348.457 1.530 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC(c2ccnn2C)CC1 104100784 XXYIHLSZHWDFTI-CAPFRKAQSA-N 330.436 1.267 0 40 EDAB C[C@@H](C(=O)N[C@H](c1ccn(C)c1)C(F)(F)F)N1CCN(C)CC1 97112913 BPCHCNPZBDGVOM-WCQYABFASA-N 332.370 1.381 0 40 EDAB O=C(NCCNc1ncccn1)N1CCN(c2ccccc2O)CC1 47058527 BYXBCEVUDLNQCN-UHFFFAOYSA-N 342.403 1.126 0 40 EDAB COc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cn1 8512771 DUCDEMITXBCRQE-UHFFFAOYSA-N 326.352 1.832 0 40 EDAB Cc1ccc(N2CC[C@@H]3OCCC[C@@]3(COCC(=O)N(C)C)C2)nn1 107711891 PBTORDMCDVDKKN-YJBOKZPZSA-N 348.447 1.265 0 40 EDAB CCCCS(=O)(=O)N1CC[C@H]2[C@H]1CCN2c1cc(OC)ncn1 107200681 VMRCQXBCLOAKMQ-QWHCGFSZSA-N 340.449 1.268 0 40 EDAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(N)=O 23995154 GAIPKMFNWZYNIS-LLVKDONJSA-N 332.429 1.428 0 40 EDAB NC(=O)C1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 9063591 YIIUSLDFGQUOCA-UHFFFAOYSA-N 347.434 1.762 0 40 EDAB CN(C)CCNC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O 54360902 FFXOYYSKGIJNIM-RAXLEYEMSA-N 333.413 1.401 0 40 EDAB O=C(Cc1noc2ccccc12)N1CCC(N2CCNC2=O)CC1 55786409 FMDQMOUBQQZBHP-UHFFFAOYSA-N 328.372 1.387 0 40 EDAB CCOc1ccccc1OC1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 56289689 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COCCN(Cc1sccc1C)Cc1cc(=O)n(C)c(=O)n1C 48331469 WFAOZFJSHYILRA-UHFFFAOYSA-N 337.445 1.103 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O 3486248 FPZWZCIMUMWGOR-LBPRGKRZSA-N 325.315 1.870 0 40 EDAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CCSCC1 48485160 RPGPUXRFRWYMAL-UHFFFAOYSA-N 335.429 1.740 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2nc3ccccc3s2)c1 8918797 ZGGVFNYWKYDZBO-UHFFFAOYSA-N 349.437 1.757 0 40 EDAB Cc1cc(COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)no1 19353132 UECZIBHNQRYEHQ-UHFFFAOYSA-N 333.275 1.682 0 40 EDAB COC(=O)c1ccc(NCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 3904527 WAAVTYNNIBHYHR-NEBZKDRISA-N 328.368 1.874 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)o1 65423843 BVFRJLUOIXFTFM-UHFFFAOYSA-N 328.777 1.771 0 40 EDAB NC(=O)Cn1cc(NC(=O)N2CCC(c3ccccc3)CC2)cn1 65437418 XSVVAFYWMVGZLA-UHFFFAOYSA-N 327.388 1.780 0 40 EDAB C[C@H](Cc1nc2ccccc2s1)NC(=O)CN1CCC[C@H](O)C1 65493062 NXGPQVOLVVVQQH-OLZOCXBDSA-N 333.457 1.800 0 40 EDAB Nc1nc(N)nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1 14022928 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1.789 0 40 EDAB CCNC(=O)N1CCN(C(=O)[C@@H](C)OCc2cccc(OC)c2)CC1 68250429 QTOBOHXCTXGFPF-CQSZACIVSA-N 349.431 1.474 0 40 EDAB CCc1c(O)nc(SCC(=O)NC)n(-c2ccccc2OC)c1=O 68274914 INCVBSMMIKTLPQ-UHFFFAOYSA-N 349.412 1.347 0 40 EDAB CN(C)c1cc(C(=O)N2CCC(c3n[nH]c(=S)n3C)CC2)ccn1 68426780 BPFHQVZHOGBVEU-UHFFFAOYSA-N 346.460 1.958 0 40 EDAB NC(=O)c1ccc(-c2nnn(CCOc3ccc(F)cc3)n2)cc1 7875645 VOVYTRCIVDGZGK-UHFFFAOYSA-N 327.319 1.657 0 40 EDAB CC(=O)Nc1ccc(SCC(=O)N(C)CC(=O)NC2CC2)cc1 16223866 HQYSRLYRACHSRT-UHFFFAOYSA-N 335.429 1.474 0 40 EDAB COc1ccc2c(CC(=O)N3CCN(C(C)=O)CC3)cc(=O)oc2c1 9705219 SZTZJPCOTCYJMZ-UHFFFAOYSA-N 344.367 1.035 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(C[C@H](O)COCc3ccco3)CCO2)n1 69370616 RIGRFSOAYCTREV-WMZOPIPTSA-N 349.431 1.371 0 40 EDAB COc1cc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)ccc1C 69389173 FXZMJBRBIIRZHA-INIZCTEOSA-N 347.459 1.676 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1C(=O)OC 8328679 KHUQJDQFXYOJQJ-CYBMUJFWSA-N 340.401 1.226 0 40 EDAB Cc1cc(C)n([C@H](C)C(=O)N2CCN(Cc3ccncc3)CC2)n1 71828049 CRFVAWYNFMQZAP-MRXNPFEDSA-N 327.432 1.800 0 40 EDAB CCn1c(C(=O)N2CCCN(CC(N)=O)CC2)cc2ccccc21 71829258 GPEARKIRAGTEJY-UHFFFAOYSA-N 328.416 1.294 0 40 EDAB CCc1nnc2n1CCN([C@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 69442385 BETKCMAFEQSXDB-KRWDZBQOSA-N 343.406 1.815 0 40 EDAB CN(C)[C@@H](Cc1ccccc1)C(=O)NCCN1CCCCCC1=O 69416409 DXCRBVIUANYFCT-KRWDZBQOSA-N 331.460 1.678 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(C)c2)CC1 71881907 RUSRAGWNZLIHCZ-QRVBRYPASA-N 346.471 1.640 0 40 EDAB CCn1ccnc1CN[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 71870742 ZOPQDUBAMUCIAY-AWEZNQCLSA-N 330.436 1.918 0 40 EDAB O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccncc1 71896814 INBWXYFOBZMKCH-GOSISDBHSA-N 325.412 1.755 0 40 EDAB COCCNC(=O)c1ccc(NC[C@H]2COc3ccccc3O2)nc1 71882456 YDTZWXXQZSYUCX-AWEZNQCLSA-N 343.383 1.710 0 40 EDAB CCc1noc(CN2CCN(C[C@@H](O)COc3ccccc3)CC2)n1 69744403 LUJPOGMPZKESJP-OAHLLOKOSA-N 346.431 1.190 0 40 EDAB CCc1nnsc1C(=O)N1CCN(c2nc(C)cc(OC)n2)CC1 69737548 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344.459 1.135 0 40 EDAB CCOCC(=O)N1CCN(C(=O)COCC)C2(CCCCC2)C1 72298186 RRFKILFOYLZTEH-UHFFFAOYSA-N 326.437 1.433 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1cccc(CN2CCOCC2)c1 72277451 QANSSEPUPOJORZ-QGZVFWFLSA-N 340.427 1.460 0 40 EDAB Cn1c(-c2ccccc2F)nnc1S(=O)(=O)CCn1cccn1 95966456 LIQQHLAQZCWFFW-UHFFFAOYSA-N 335.364 1.292 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1ccc(-c2ccco2)[nH]c1=O 75125255 LPBBVVUMNLAANV-UHFFFAOYSA-N 325.328 1.103 0 40 EDAB Cn1ncnc1C1(O)CCN(c2ccc(C(F)(F)F)cn2)CC1 1548520497 RUKACVKMSYFKIL-UHFFFAOYSA-N 327.310 1.717 0 40 EDAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC(C)(C)C)cc1 28209410 DRBWLFMMJGKXDM-ZDUSSCGKSA-N 338.429 1.589 0 40 EDAB O=C(NCc1cccc(F)c1)C(=O)Nc1cccc(-n2cnnc2)c1 61718621 MQKCCTQATSBCDD-UHFFFAOYSA-N 339.330 1.661 0 40 EDAB COc1ccc(CNC(=O)c2c(O)n3ccc(C)cc3nc2=O)cc1 136831908 BMGIMWUUPFBYCG-UHFFFAOYSA-N 339.351 1.647 0 40 EDAB CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 216245673 NSCYSLRAEPZQAN-UHFFFAOYSA-N 327.387 1.254 0 40 EDAB CC(C)(C)OC(=O)N1C(C(=O)O)=C(Br)S[C@@H]1N 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COC(=O)C[C@@H]1CN=C(Nc2nc(C)c3cc(C)ccc3n2)NC1=O 21005816 GLGDKAOSMILGCS-LLVKDONJSA-N 341.371 1.324 0 40 EDAB CCSCCC(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 71185912 QUSIUWNYYPCKIM-UHFFFAOYSA-N 347.444 1.676 0 40 EDAB CCCC(=O)NCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 71185648 GFFPPCFAMJCORT-QGZVFWFLSA-N 331.460 1.931 0 40 EDAB CC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(C)CC1 20141678 IDTLVKIESGLBRJ-AWEZNQCLSA-N 344.419 1.149 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cn[nH]c3)C2)cc1 64877437 MUSHZKAMWCHCHN-CYBMUJFWSA-N 348.428 1.758 0 40 EDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCN(c3ccccn3)CC1)CS2 49934832 MIOBTANBGLLLPO-CXAGYDPISA-N 346.456 1.184 0 40 EDAB Cc1cc(NC(=O)NCc2ccc(N3CCCN(C)CC3)nc2)no1 65473768 CGPZVBSABZQCSW-UHFFFAOYSA-N 344.419 1.842 0 40 EDAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1ccc(=O)[nH]c1=O 14190595 RACHJOSYXAEFFE-UHFFFAOYSA-N 342.182 1.502 0 40 EDAB CCOCCO[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 65613024 KDAVVLLDIUNHML-RHSMWYFYSA-N 348.443 1.434 0 40 EDAB CN1CCN(c2cc(CNCc3cccc4c3OCO4)ccn2)CC1 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CCc1cc(=O)[nH]c(CN2CCC[C@@H](c3nncn3C3CC3)C2)n1 91629818 PYGICEQMEMBPIE-GFCCVEGCSA-N 328.420 1.638 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@H]1COc3c(cccc3OC)C1)C2 69510664 ZWKXGJBYOIWSDV-CYBMUJFWSA-N 342.399 1.443 0 40 EDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)Cc1ccccc1Cl 71794649 JWIZPPGZWOPUBO-GFCCVEGCSA-N 337.851 1.884 0 40 EDAB O=C(NCCN1CCOCC1)N1CCC[C@H]1c1ccc2c(c1)OCO2 69656831 HQBFQPLXXBFWRY-HNNXBMFYSA-N 347.415 1.594 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)ccc1-n1cnnn1 69655270 CTXQWMMTVDVPNB-SJORKVTESA-N 340.431 1.670 0 40 EDAB CS(=O)(=O)CCSc1ccc2nnc(C(F)(F)F)n2n1 69703399 YSWHNNNOFBHOFX-UHFFFAOYSA-N 326.325 1.280 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)CC1 69892421 XXAZIIFSSXMRNB-IAGOWNOFSA-N 339.443 1.653 0 40 EDAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Cc1cnn(-c2ccccc2)c1 69844138 PXSGXVJZFJQRBV-UONOGXRCSA-N 349.456 1.695 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(CC(=O)NC(C2CC2)C2CC2)CC1 69876564 GDLMQYYGRUOEDG-MRXNPFEDSA-N 337.508 1.316 0 40 EDAB C[C@]1([C@@H]2CCCN(Cc3ccc4c(c3)CCC4)C2)NC(=O)NC1=O 72300685 QYLWUIHGEVBSOO-VQIMIIECSA-N 327.428 1.985 0 40 EDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@H](n2cncn2)C1 72272235 NVZINBWKUPRWRJ-CABCVRRESA-N 341.419 1.148 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccc(N2CCOCC2)c(F)c1 72270293 WUHTVGRJAUGDOS-CQSZACIVSA-N 344.390 1.604 0 40 EDAB CC[C@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@@H]1N1CCOCC1 84736131 MPORXLGBJBPNDF-HOCLYGCPSA-N 343.431 1.221 0 40 EDAB Cc1cc(F)c(S(=O)(=O)N[C@@H](C)CCn2cncn2)cc1F 95417522 UJTKYMYRAWAZFQ-JTQLQIEISA-N 330.360 1.622 0 40 EDAB O=C([C@@H]1CCCN1C1CCOCC1)N1CCC(n2cccn2)CC1 95438427 NRNPIXACZJJOSL-KRWDZBQOSA-N 332.448 1.690 0 40 EDAB CCn1nc(C(=O)Nc2ccc(F)c(N3CCCC3=O)c2)ccc1=O 95956654 HMOGQGNEVNCJSG-UHFFFAOYSA-N 344.346 1.781 0 40 EDAB CNS(=O)(=O)c1ccc(N2CCC[C@@H](c3nccs3)C2)nc1 95994708 FETRVMLBFRBURL-LLVKDONJSA-N 338.458 1.830 0 40 EDAB CC(=O)c1ccc(N2CCN(CC(=O)N3CCO[C@@H](C)C3)CC2)cc1 95946918 HBQUXLHHHUXALR-HNNXBMFYSA-N 345.443 1.259 0 40 EDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C)[nH]c1=O 75118876 LQQGRFZVTNOZAY-UHFFFAOYSA-N 338.367 1.582 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCN(CC2(CS(C)(=O)=O)CCC2)CC1 89920427 IFJJFZNEXKCXHZ-UONOGXRCSA-N 328.478 1.002 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 89943335 IAORLJWCOREZMN-OAHLLOKOSA-N 349.431 1.702 0 40 EDAB Cc1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c2c(C)noc2n1 75606120 ZXRGJKKRIOGTBS-CABCVRRESA-N 344.415 1.511 0 40 EDAB COCCNC(=S)Nc1ccc(CC(=O)N2CCOCC2)cc1 36847061 WYXAIRALTYWFJT-UHFFFAOYSA-N 337.445 1.021 0 40 EDAB O=C(O)[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(Br)o2)C1 548265169 WPNXUFWXUFAHMI-RNFRBKRXSA-N 336.163 1.350 0 40 EDAB CCc1nc2c(c(=O)n1C)OCCN(Cc1cccnc1OC)C2 306137823 RHJPYVGZGCBLDJ-UHFFFAOYSA-N 330.388 1.141 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(C)C)cc1C 408606941 MQJLAJFOXJXNOU-GFCCVEGCSA-N 328.434 1.585 0 40 EDAB CCn1cc(S(=O)(=O)NC(=O)c2cc3cccc(F)c3o2)cn1 124637399 GBCQPCYVGSJJFO-UHFFFAOYSA-N 337.332 1.907 0 40 EDAB CCCNS(=O)(=O)c1ccc(NCCCOCC)c(C(=O)O)c1 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0 40 EDAB Cc1ccc(NS(=O)(=O)CCNC(=O)Cc2ccoc2)cc1F 195567223 KXXGZSDUGJXJKS-UHFFFAOYSA-N 340.376 1.828 0 40 EDAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NS(=O)(=O)[C@@H](C)C(=O)N(C)C 193826020 RSMMXVPZJVXLKA-AAEUAGOBSA-N 342.461 1.998 0 40 EDAB CCN1C(=O)COc2ccc(S(=O)(=O)Nc3cccnc3)cc21 227161886 VEGHQHSWTNTSDO-UHFFFAOYSA-N 333.369 1.628 0 40 EDAB CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1S(N)(=O)=O 570573054 KCJXIARAVRKASE-UHFFFAOYSA-N 340.401 1.480 0 40 EDAB O=C(NCCN1C(=O)COc2ccccc21)c1nncc2ccccc12 1583998230 YLQYSRJIHRIWNT-UHFFFAOYSA-N 348.362 1.785 0 40 EDAB COCCCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225290904 AGNYUFJVBWPUEP-GFCCVEGCSA-N 344.433 1.002 0 40 EDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccccc2)cc1 224195404 ZXEGAQSZHNCTBJ-UHFFFAOYSA-N 348.424 1.746 0 40 EDAB O=C(Nc1cnns1)N1CCCN(C(=O)c2ccsc2)CC1 192338971 GHBQABVWVCRNEF-UHFFFAOYSA-N 337.430 1.980 0 40 EDAB O=S(=O)(Nc1ccccc1-c1nc(C2CC2)n[nH]1)c1cn[nH]c1 194020462 ZDTVDPREVOFTKU-UHFFFAOYSA-N 330.373 1.873 0 40 EDAB Cn1nccc1C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225730630 VAJFSRSKXYAODF-UHFFFAOYSA-N 340.309 1.191 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 222439032 ARKAASZAGPCBAD-DEXNDLTESA-N 344.411 1.582 0 40 EDAB COc1ccc(S(=O)(=O)N(C)c2cc(C(N)=O)ccc2C)cc1 224320295 AEWYTWNVBPABMJ-UHFFFAOYSA-N 334.397 1.928 0 40 EDAB CN(C)C(=O)COC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1nccs1 96055405 OKMWCZXKRUVETE-MELADBBJSA-N 339.461 1.227 0 40 EDAB O=C(NC1CC1)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 96188101 ZQNUIKLIDGWEQC-HNNXBMFYSA-N 341.415 1.799 0 40 EDAB Cn1cc(CN2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)cn1 96047414 YMYWQPWYDGQVEW-OAHLLOKOSA-N 326.466 1.200 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 578628697 PVAFMMVWXDHVOI-ZNMIVQPWSA-N 328.478 1.839 0 40 EDAB COC[C@H]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)CN1C 96207518 YBVJINRBZGNMHS-OAHLLOKOSA-N 338.473 1.808 0 40 EDAB CCS(=O)(=O)N1CCc2c(c(COC(C)C)nn2CC2CC2)C1 96259829 SOWDZQXCJQQRAU-UHFFFAOYSA-N 341.477 1.926 0 40 EDAB O=C([C@H]1CCCO1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 96161368 IWIQISQYZNZDNG-JKSUJKDBSA-N 328.412 1.688 0 40 EDAB C[C@H](CNC(=O)NC[C@@H]1CN(C)CCN1C)Oc1cccc(F)c1 96440137 UGEICPMNJWVZEV-UKRRQHHQSA-N 338.427 1.138 0 40 EDAB Cc1cccc(CN2CC[C@]3(CCN(C(=O)[C@H]4CCOC4)C3)C2=O)c1 96159649 VENCPLGGPHTBKZ-FXAWDEMLSA-N 342.439 1.983 0 40 EDAB CNS(=O)(=O)CCCN1CCC[C@@H](CN2CCCCCC2)C1 96407736 PFVUXSUNIXBRGW-INIZCTEOSA-N 331.526 1.514 0 40 EDAB CN1C(=O)C[C@H](c2ccncc2)C12CCN(Cc1cnn(C)c1)CC2 96199980 WYCRKGZRUYKTMP-QGZVFWFLSA-N 339.443 1.796 0 40 EDAB CCC(=O)N1CCOC[C@@]2(CC[C@@H](CN(C)Cc3ccco3)O2)C1 96063513 ARSBHJOKYXRHHA-FUHWJXTLSA-N 336.432 1.898 0 40 EDAB CN(CC(=O)Nc1ccc(F)cc1Cl)C[C@@H]1CCS(=O)(=O)C1 96419660 GYUKSTJXNZMJNZ-JTQLQIEISA-N 348.827 1.784 0 40 EDAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2nc(CC(C)C)no2)C1 583618934 JRKDGPGOQCPALT-KBPBESRZSA-N 336.436 1.480 0 40 EDAB Cc1cccc(CNC(=O)CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1 583614696 FBIJJHJOPHEWAC-KURKYZTESA-N 332.444 1.473 0 40 EDAB O=C(COC[C@H]1CN(C2CCOCC2)Cc2cncn21)N1CCCC1 247728131 DXWLBDWFBCVQIE-QGZVFWFLSA-N 348.447 1.058 0 40 EDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)CN)cc1 242723183 YFJSAXROTFWLGP-SQNIBIBYSA-N 346.452 1.600 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(N)CO 242614916 PLZZNICIVUHIIE-IJLUTSLNSA-N 334.235 1.039 0 40 EDAB CN(C[C@@H]1CCC[C@@H]1O)c1cc(N(C)C[C@@H]2CCC[C@H]2O)ncn1 249281382 GNMVBTANDDXKRY-YHUYYLMFSA-N 334.464 1.671 0 40 EDAB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5O)N3[C@H]1O 253389061 CJDRUOGAGYHKKD-URXRAGKKSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro Cn1cncc1-c1cncc(C2CCN(C(=O)c3cnccn3)CC2)n1 257229599 FYSCRGOAIJBHLC-UHFFFAOYSA-N 349.398 1.687 0 40 EDAB Cc1noc([C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2c2ccccc2)n1 253473621 WTWSRUCGFNNSOW-JKSUJKDBSA-N 337.383 1.984 0 40 EDAB Cc1cccc2nc(C(=O)N3CC[C@@H]4OCC(=O)N(C)[C@H]4CC3)cn12 257223819 DZAAKIKPKPUTET-GJZGRUSLSA-N 342.399 1.105 0 40 EDAB O=C(N[C@@H]1C[C@H]2Oc3ccccc3N[C@H]2[C@@H]1O)c1ccc(F)cc1 257300176 RTFHANAFFCUCEJ-MWQQHZPXSA-N 328.343 1.930 0 40 EDAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCCN(CC(N)=O)C2)n1 257252778 JWCULATXKXMAOK-LBPRGKRZSA-N 346.460 1.958 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=N)N)C2)cc1OC 260418277 TXBDYVWOIKSQJI-JTQLQIEISA-N 327.406 1.040 0 40 EDAB COC(=O)c1cccn2cc(CN3CC[C@@H](c4nc(C)no4)C3)nc12 1615573490 VADPCLAKWVRPRW-GFCCVEGCSA-N 341.371 1.802 0 40 EDAB O=C1COC2(CCN(C(=O)NCC3CC(c4ccccc4)C3)CC2)N1 1615589825 LDHZEGOKBCYFQT-UHFFFAOYSA-N 343.427 1.828 0 40 EDAB CC(=O)c1ccc(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)s1 575604328 WMEULSOHDRHVBC-UHFFFAOYSA-N 348.432 1.198 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 575405346 SEQMHGWQWRAYNC-AWEZNQCLSA-N 326.418 1.181 0 40 EDAB CN(C)c1nc(CNC(=O)CCc2ccccc2)nc(N(C)C)n1 575604305 WEUXCUDIMOEULT-UHFFFAOYSA-N 328.420 1.253 0 40 EDAB COCCNC(=O)[C@@H]1CN(C(=O)c2cccc(C)c2)Cc2cncn21 585095688 BWNYPSWYOMEQEX-INIZCTEOSA-N 342.399 1.151 0 40 EDAB Cc1cc(NCC(=O)N2CCCO2)n2nc(C(F)(F)F)nc2n1 585141900 IATIEEHXUJOOOG-UHFFFAOYSA-N 330.270 1.027 0 40 EDAB Cc1nc(C)n(C2CN(S(=O)(=O)CC3CCC(F)(F)CC3)C2)n1 583650926 BTKYUYKIYCNKSO-UHFFFAOYSA-N 348.419 1.907 0 40 EDAB Cn1cnc2c1C[C@@H](CN1CCC(F)(F)C1)N(Cc1cn[nH]c1)C2 585094600 DOLHPALTHDZCGH-ZDUSSCGKSA-N 336.390 1.411 0 40 EDAB Cn1cc(CCC(=O)N2CC[C@H](O)[C@H](Cc3cccc(F)c3)C2)cn1 585276185 KUZFCYSAXAPMHS-AEFFLSMTSA-N 345.418 1.944 0 40 EDAB CN(Cc1ccc(F)c(F)c1)C(=O)c1cnc2n(c1=O)CCS2 44440099 JSELILDBUKCHDW-UHFFFAOYSA-N 337.351 1.899 0 40 EDAB CS(=O)(=O)Nc1nnc(NC(=O)Cc2ccccc2F)s1 47293339 HSYDEBHXCQJZPB-UHFFFAOYSA-N 330.366 1.230 0 40 EDAB COc1cc(F)c(S(=O)(=O)NC[C@H](C(C)C)N(C)C)cc1OC 48252713 PCGCHACNYSWIDT-GFCCVEGCSA-N 348.440 1.707 0 40 EDAB CN(CC(=O)NCc1csc(C2CC2)n1)c1ncnc2[nH]cnc12 83857595 GIYNOXFUGLXOMG-UHFFFAOYSA-N 343.416 1.439 0 40 EDAB CN1CCN(C2CCN(Cc3nc(-c4ccoc4)no3)CC2)C1=O 75604303 PUVGQSBDHCJYFZ-UHFFFAOYSA-N 331.376 1.661 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCc1nncn1C1CC1 78779492 KLXAYOVFLMWTSZ-CYBMUJFWSA-N 349.435 1.671 0 40 EDAB CC(C)c1nc(C(=O)N[C@@H]2CC(=O)N(C)C2)nn1-c1ccccc1F 78878183 ZXJIMAMKHNJMJT-LLVKDONJSA-N 345.378 1.490 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)[C@H](N(C)Cc2cnn(-c3ccccc3)c2)C1 79396286 GZATUMDTWSEAQV-UAGQMJEPSA-N 329.400 1.617 0 40 EDAB CC(=O)N1CCN([C@H]2CN(CCOc3ccccc3C)C[C@@H]2C)CC1 107141963 BFIBHUIWGNYTFT-HKUYNNGSSA-N 345.487 1.858 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cnns2)cc1 40554558 JSDRLDUPXMGWQH-UHFFFAOYSA-N 340.430 1.821 0 40 EDAB Cn1c(N2CCC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21 178803751 OFOZISBYMCTLCH-AWEZNQCLSA-N 328.416 1.649 0 40 EDAB O=C(c1ccc(NC[C@@H](O)c2cccc(O)c2)nc1)N1CCOCC1 1529186376 XTWKRXXZVBIHJV-MRXNPFEDSA-N 343.383 1.405 0 40 EDAB c1cc(CN2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)ccn1 12338001 XTNCZDWVQRYVJS-OAHLLOKOSA-N 336.403 1.437 0 40 EDAB Cc1ncsc1C(=O)N1CC[C@@H](c2cc(O)nc(N(C)C)n2)C1 12367398 MEKFWBHQZHLSHV-SNVBAGLBSA-N 333.417 1.643 0 40 EDAB CO[C@@H]1Nc2c(ccc(C)c2O)C(=O)N2C=C(/C=C\C(N)=O)C[C@@H]12 13366539 YRMCBQLZVBXOSJ-AFKMGRNLSA-N 329.356 1.239 0 40 EDAB Cn1c(=O)n(C)c2cc(CN(CCO)Cc3cccnc3)ccc21 19289792 VJLKRQDZXJQISE-UHFFFAOYSA-N 326.400 1.267 0 40 EDAB CC(=O)N(CCc1nc(Cc2noc(C)n2)no1)Cc1ccccc1 78774062 YILKVCYFFQSLQF-UHFFFAOYSA-N 341.371 1.943 0 40 EDAB CCc1ccc([C@H](COC)NS(=O)(=O)CCCN2CCCC2)o1 585115143 OGYXLPITVZGKMI-HNNXBMFYSA-N 344.477 1.935 0 40 EDAB CN1CCOC[C@H]1C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 585124225 HTZKVURKDBGBKK-HNNXBMFYSA-N 339.798 1.950 0 40 EDAB O=C(NCC1(N2CCOCC2)CCC1)[C@H]1COc2ccccc2O1 1888843180 WNJKASRDFLVCSV-MRXNPFEDSA-N 332.400 1.198 0 40 EDAB O=C(c1ccccc1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888906791 AETVIIYBKOZXOD-GASCZTMLSA-N 334.383 1.333 0 40 EDAB COc1ccc([C@H](CC(=O)N[C@@H](C)Cn2cccn2)NC(C)=O)cc1 31398458 QASPDZUUCBHJDR-GUYCJALGSA-N 344.415 1.664 0 40 EDAB CCOc1ccc2nnc(CNC(=O)Cc3ccccc3OC)n2n1 238816487 BOXQSTUZEIZOAR-UHFFFAOYSA-N 341.371 1.391 0 40 EDAB COCC(=O)N1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840270 LFFLZJZJVCTWHH-QGZVFWFLSA-N 336.363 1.197 0 40 EDAB Cc1nc(C)c(C(=O)N2C[C@@H]3OCCN(c4ccccn4)[C@H]3C2)s1 2056223499 OTPHNPFRGVNKSU-KBPBESRZSA-N 344.440 1.885 0 40 EDAB CCc1ccc(C(=O)NCc2cnc3n2C[C@H](C(=O)NC)CC3)cn1 1614941188 UXODFWUWSPWFHJ-CYBMUJFWSA-N 341.415 1.079 0 40 EDAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3cccn(C)c3=O)CC2)C1 1565546123 VYBJXIVUARAGFA-UHFFFAOYSA-N 346.431 1.041 0 40 EDAB O=S(=O)(NC[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1F 10220582 OIOSRRGZMWSHNN-NSHDSACASA-N 333.356 1.929 0 40 EDAB CCN1CCc2c(sc(NC(=O)c3ccnn3C)c2C(N)=O)C1 11695032 AYCVUJZOXCFDBD-UHFFFAOYSA-N 333.417 1.211 0 40 EDAB Cc1nnsc1C(=O)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 36712366 PERSXKFMGZOBAG-UHFFFAOYSA-N 345.340 1.920 0 40 EDAB O=C(NCc1cncc(N2CCCC2=O)c1)c1ccc2c(c1)OCO2 575619083 LULMHORITOAFGO-UHFFFAOYSA-N 339.351 1.867 0 40 EDAB Cc1ccc(F)c(-n2nnnc2C[S@@](=O)C[C@H]2CCCCO2)c1 96452480 SWOBRBHQAIFLKN-SFDCACGMSA-N 338.408 1.928 0 40 EDAB O=C(NCc1cccnc1N1CCOCC1)c1cc(C2CC2)on1 30310199 DSZKNLRNRXWZLX-UHFFFAOYSA-N 328.372 1.714 0 40 EDAB O=C(CN1CCSC1=O)NC[C@H](c1ccccc1)N1CCOCC1 30701415 BDNBUROBTDHKAB-OAHLLOKOSA-N 349.456 1.345 0 40 EDAB COc1ccc(CNC(=O)NCc2nnc3n2CCC3)cc1OC 31030610 PHZFAIYJLWAZFE-UHFFFAOYSA-N 331.376 1.241 0 40 EDAB O=C(c1cccnc1)N1CCN(Cc2nnc3n2CCCCC3)CC1 40485528 ONAFMUAAOUHDSY-UHFFFAOYSA-N 340.431 1.358 0 40 EDAB CCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C[C@@]23C=C[C@H]1O3 100833643 HJQFIYOXJTWIPH-NNFUDEMPSA-N 343.379 1.935 0 40 EDAB Cc1cccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)n1 32334157 YOZNDIXCJGAJCE-UHFFFAOYSA-N 340.431 1.122 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCN2CCCCCC2=O)cc1 32443842 GKQKVFKFIGNWHS-UHFFFAOYSA-N 340.445 1.766 0 40 EDAB CCOC(=O)C1=C(CSC(=S)N(CC)CC)NC(=O)NC1 32552525 GKQRUHYNJHYBTM-UHFFFAOYSA-N 331.463 1.476 0 40 EDAB CCc1nnc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 102287711 LAZDXWOYMSTDIQ-AOOOYVTPSA-N 336.417 1.604 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102436665 DOFNSMYBSBXXBH-OKILXGFUSA-N 342.351 1.363 0 40 EDAB CN(C)c1cc(CNS(=O)(=O)c2ccc(F)c(F)c2)ccn1 32831147 QUAFCZABSYIAAS-UHFFFAOYSA-N 327.356 1.904 0 40 EDAB COc1ccccc1[C@H](C)NS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 32895545 PYOGNHBQQGHPAF-XQQFMLRXSA-N 328.434 1.700 0 40 EDAB CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccco1 32826391 PRWDDXYIDOEZFC-GHMZBOCLSA-N 347.337 1.409 0 40 EDAB CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H](O)C(C)C)c1 76022702 LMRJFHOTJOWDAH-CQSZACIVSA-N 328.434 1.122 0 40 EDAB O=C(NCc1ccccc1)[C@H]1C(=O)C(=O)N(Cc2ccccc2)C1=O 1573056 YLJZYSPLPXMFFK-OAHLLOKOSA-N 336.347 1.057 0 40 EDAB Nc1ccc(C(=O)O)cc1S(=O)(=O)c1cc(C(=O)O)ccc1N 1762595 RWIMXESREAVUOA-UHFFFAOYSA-N 336.325 1.080 0 40 EDAB O=C(NCCCn1cncn1)C(=O)Nc1cc(Cl)ccc1F 41416587 WOLBWOPAHQQZJD-UHFFFAOYSA-N 325.731 1.216 0 40 EDAB O=C(NCc1ncc[nH]1)c1cc(=O)[nH]c2c(Br)cccc12 79020992 GMGSVMIUKXZSMU-UHFFFAOYSA-N 347.172 1.944 0 40 EDAB CCOC(=O)N1CCC(NC(=O)Cn2ccc(C(F)(F)F)n2)CC1 41591779 MFAPZTSCMBGQJL-UHFFFAOYSA-N 348.325 1.639 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 46869329 JLJJYJCDPJHYOW-AWEZNQCLSA-N 346.364 1.574 0 40 EDAB Cc1nc(CN(C)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cs1 103911330 ODBQFALRWZLGDJ-GVARAGBVSA-N 345.424 1.217 0 40 EDAB COc1ccccc1N1CCN(C(=O)NCCc2cnn(C)c2)CC1 46987938 VJLDCGASNLWCRB-UHFFFAOYSA-N 343.431 1.503 0 40 EDAB Cc1cc(C)n2c(CCCNC(=O)COc3ccccc3)nnc2n1 12391860 NXBROFSIQHVTFW-UHFFFAOYSA-N 339.399 1.869 0 40 EDAB Cc1sc(=O)n(CC(=O)Nc2cccnc2N2CCOCC2)c1C 56164724 ISFZNTGGBCUVEO-UHFFFAOYSA-N 348.428 1.397 0 40 EDAB C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCCC(N)=O 42924479 AJKSMPZOWLGOGM-QMMMGPOBSA-N 347.184 1.737 0 40 EDAB COc1cccc(CNC(=O)[C@@H](C)S(=O)(=O)c2ccccn2)c1 47620134 ITLIYBQCAOLOMM-GFCCVEGCSA-N 334.397 1.569 0 40 EDAB COC(=O)[C@H](CN1CCCC1)[C@@](O)(c1nccn1C)C(F)(F)F 24927098 SWNDJQGTXIQNIL-GXFFZTMASA-N 335.326 1.055 0 40 EDAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@H](C(N)=O)C2)C1 106829758 CCNZNUJKXUFRML-FVQBIDKESA-N 330.432 1.339 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100099384 LGKNQHYKNZBIKC-FMKPAKJESA-N 336.457 1.920 0 40 EDAB O=C(CNC(=O)c1ccc(OC(F)F)cc1)NCc1ccccn1 12526538 LHOWDTPQJXRJLN-UHFFFAOYSA-N 335.310 1.729 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NCCc2cn3ccccc3n2)cc1 12507621 VRHSUGVNAMJCPU-UHFFFAOYSA-N 343.408 1.710 0 40 EDAB C[C@H](C(=O)NCC(F)(F)F)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 107150501 LQGPBRDOHOPJQQ-ZOBORPQBSA-N 333.398 1.860 0 40 EDAB CCn1cc(NC(=O)NCc2ccnc(N3CCOCC3)c2)cn1 43644807 LUNQQRNOCLVLCM-UHFFFAOYSA-N 330.392 1.456 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)N2CCC(Nc3ccc(C)nn3)CC2)C1 71863530 WHBNBLFGEITDRX-HNNXBMFYSA-N 345.447 1.446 0 40 EDAB O=C(Nc1ccccc1)C1CCN(C(=O)CN2CCC(O)CC2)CC1 10036381 SRQUYVMKDNIOKN-UHFFFAOYSA-N 345.443 1.320 0 40 EDAB O=C(COc1ccc2c(c1)CCC2)N1CCN(C[C@H]2CCCO2)CC1 12688708 GQOFRDCNUZUQKL-LJQANCHMSA-N 344.455 1.877 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(C[C@H](O)CN2CCc3ccccc3C2)C1=O 58137508 JNOJPYYRWLTBEB-SJORKVTESA-N 345.443 1.372 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)COc1ccc2c(c1)CCC(=O)N2 44836282 QOJPSZUZGUFPES-CQSZACIVSA-N 331.416 1.551 0 40 EDAB O=C(CNC(=O)c1ccccc1)Nc1cnn(Cc2cccnc2)c1 58268081 SZAQPSVJWKRQPN-UHFFFAOYSA-N 335.367 1.695 0 40 EDAB COCCNC(=O)NC(=O)CNc1ccc(Cl)cc1C(=O)OC 55865489 KSQLEAMHYMHLTC-UHFFFAOYSA-N 343.767 1.011 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)N1CCC2(CC1)OCCO2 24997951 HTIGBXJZQDUFJZ-UHFFFAOYSA-N 325.386 1.069 0 40 EDAB CN(C)c1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cn1 44939037 GJRYPIDDKDAKSH-UHFFFAOYSA-N 326.404 1.336 0 40 EDAB O=C(OCCN1CCOC1=O)c1nn(-c2ccccc2)c2c1CCC2 44950481 QFASOGCKMZJEKW-UHFFFAOYSA-N 341.367 1.970 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 44979751 IXFGIWDCEZSVDA-HNNXBMFYSA-N 327.388 1.834 0 40 EDAB CCOc1ccc(S(=O)(=O)CC(=O)NC[C@H]2CCCO2)cc1 44947559 GNXKCAAPVHRVEJ-CYBMUJFWSA-N 327.402 1.154 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N[C@H](C)[C@H]3CCCO3)cnc12 27883682 OYOLGJSIJCLZDK-UKRRQHHQSA-N 329.400 1.779 0 40 EDAB CC[C@H](O)CN(CC(=O)NC(=O)NCc1ccco1)c1ccccc1 58341383 SQSLSHJRTGXUIJ-HNNXBMFYSA-N 345.399 1.883 0 40 EDAB O=C(Nc1nnc([C@H]2CCCO2)s1)C1(n2cnnn2)CCCCC1 36353964 WLAIQZPZASCQEL-SNVBAGLBSA-N 349.420 1.674 0 40 EDAB CCNC(=O)c1ccc(C)c(NC(=O)N2CCC[C@H]2C(=O)N(C)C)c1 69977121 QWUVOCZASFSLGG-HNNXBMFYSA-N 346.431 1.829 0 40 EDAB O=C(NCCCOc1ccccc1)N1CCN(c2ncccn2)CC1 45662358 DOCTYNRHAOQQSX-UHFFFAOYSA-N 341.415 1.777 0 40 EDAB CN1N=C(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)CCC1=O 29083855 KZIXZCFJNIQVGL-OAHLLOKOSA-N 343.362 1.373 0 40 EDAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 11543965 GPNDTJNGNQSRNZ-UHFFFAOYSA-N 346.416 1.177 0 40 EDAB C[C@H](NC(=O)Nc1ccc(N2CCNC(=O)C2)nc1)c1ccccc1 48332148 KOGUZWDOXWRJBO-ZDUSSCGKSA-N 339.399 1.901 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3594706 HBHAGKNBMBWSAF-BFUOFWGJSA-N 341.411 1.781 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(OC(F)(F)F)cc1 12903707 ARUJDTZEKUEJLK-UHFFFAOYSA-N 329.234 1.074 0 40 EDAB COc1ccc(CC[C@H](C)NC(=O)N2CCC(C(N)=O)CC2)cc1 62932677 DFSHSWVGYRUNFQ-ZDUSSCGKSA-N 333.432 1.923 0 40 EDAB CN(C)C(=O)CCNC(=O)CCC(=O)c1ccc2c(c1)OCCO2 49334332 MFELNCBQCFCVQI-UHFFFAOYSA-N 334.372 1.015 0 40 EDAB CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCOCC1 19832364 PEXSUCQNZVWBSF-UHFFFAOYSA-N 345.399 1.924 0 40 EDAB Cc1ccc(-n2nnnc2CSc2nnc(C)c(O)n2)c(C)c1 13629798 LJAJCCUZLFVPTJ-UHFFFAOYSA-N 329.389 1.770 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)c2csc(S(N)(=O)=O)c2)cn1 71796890 UDSMDMHCJRRFSU-LLVKDONJSA-N 340.430 1.106 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2ccncc2)CC1 71820817 QPQHDKSBTUQASN-UHFFFAOYSA-N 325.368 1.702 0 40 EDAB O=c1[nH]c2ccc(NS(=O)(=O)c3ccc4oc(=O)[nH]c4c3)cc2[nH]1 6471672 KWZKKZOKTVROIF-UHFFFAOYSA-N 346.324 1.092 0 40 EDAB O=C(COC(=O)C1(O)CCCCC1)c1c[nH]c(C(=O)N2CCCC2)c1 14146964 SUIGWBAVHABJJE-UHFFFAOYSA-N 348.399 1.672 0 40 EDAB CCCC(=O)NCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 71185647 GFFPPCFAMJCORT-KRWDZBQOSA-N 331.460 1.931 0 40 EDAB O=C(CCN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc[nH]1 6507665 PRJOENKNLDJENB-UHFFFAOYSA-N 326.308 1.427 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)n2nc(C)c(C(C)=O)c2C)c1 4727063 OBJYYARQRBELMP-UHFFFAOYSA-N 338.385 1.957 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5613839 YYUQCNNWWZVMGL-FZMZJTMJSA-N 326.393 1.315 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1 6997224 KLGAMEIPKKKHJR-UHFFFAOYSA-N 336.438 1.814 0 40 EDAB CC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O 5972374 SVIBGLNQZDUTLH-UHFFFAOYSA-N 346.339 1.087 0 40 EDAB CN(C)c1ccc(Cl)cc1NC(=O)CCC(=O)N1CCOCC1 67270664 OGSGMTMQUPITPS-UHFFFAOYSA-N 339.823 1.984 0 40 EDAB CN1CCC[C@@H]1CCN1CCC(Oc2ccnc(C(N)=O)c2)CC1 93261491 JHNGRYPGAMQTQJ-CQSZACIVSA-N 332.448 1.508 0 40 EDAB O=C(c1ccccn1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005370 FPJOKWPLLXQLJI-AWEZNQCLSA-N 337.445 1.548 0 40 EDAB COc1cc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc(OC)c1 7919998 XIHRXKKGDRLBCN-CYBMUJFWSA-N 345.442 1.563 0 40 EDAB Cc1cc2n(n1)C[C@H](CNCc1cccc(C(=O)N(C)C)c1)CN2 69328790 KSMPKJAAGFQTIF-OAHLLOKOSA-N 327.432 1.725 0 40 EDAB CCN(C(=O)Cc1cccc(Br)c1)[C@@H]1CC(=O)NC1=O 69351853 OFXXAQCLDJTBSH-LLVKDONJSA-N 339.189 1.255 0 40 EDAB Cc1cnn(C[C@@H]2CN([C@H](C)C(=O)Nc3cc(C)no3)CCO2)c1 69490322 JIHGVYLRKNTGQS-KGLIPLIRSA-N 333.392 1.216 0 40 EDAB Cc1nnc2n1CCN(CC(=O)Nc1ccnn1C1CCCC1)C2 69451639 PLFCKHSIMXXJRW-UHFFFAOYSA-N 329.408 1.352 0 40 EDAB O=C(CN1CCN(C(=O)NCc2ccccc2F)CC1)N1CCCC1 17117784 SJHDANWMULRQKP-UHFFFAOYSA-N 348.422 1.275 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 69533221 DACIVEZKSCZERY-HIFRSBDPSA-N 338.429 1.135 0 40 EDAB Cn1ccnc1CN1CCN(Cc2ccc(-n3cccn3)cc2)CC1 69538048 XXTVYKZTUPKJMM-UHFFFAOYSA-N 336.443 1.924 0 40 EDAB CC[C@@H](O)[C@@H]1CCCCN1CCNS(=O)(=O)c1ccccc1 71907368 FCCQUVUISLGJMM-JKSUJKDBSA-N 326.462 1.590 0 40 EDAB CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CSCC(N)=O 72046091 FQCMDZOMHQTWOO-UHFFFAOYSA-N 343.880 1.449 0 40 EDAB O=C1NCCN(C(=O)Cc2cccnc2)[C@@H]1c1ccccc1Cl 97086609 GLWSVNGFUWUBJV-MRXNPFEDSA-N 329.787 1.977 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(Cl)cc1-n1cccc1 72284775 MHUPSLSFWVEZPV-UHFFFAOYSA-N 344.758 1.619 0 40 EDAB O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc(O)nn1 97107712 UBHORKVAHQGCJE-UHFFFAOYSA-N 343.318 1.734 0 40 EDAB COc1ccc(CC(=O)NC[C@H](O)COCC(C)C)cc1OC 84544429 FOTBKIJKSXCBCE-AWEZNQCLSA-N 325.405 1.396 0 40 EDAB COC(=O)[C@H](O)CNC(=O)c1cn(-c2ccc(Cl)cc2)nc1C 95452986 XUHMFIPFYTUJIN-CYBMUJFWSA-N 337.763 1.098 0 40 EDAB Cc1cc([C@](C)(O)CNS(=O)(=O)c2ccc3cn[nH]c3c2)c(C)o1 95433221 YQBWXFMGUOYXPL-MRXNPFEDSA-N 349.412 1.959 0 40 EDAB CSc1nnc(CCCNC(=O)[C@@H]2CCCN2)n1C1CCCC1 73350569 XWAWDGIUNYPZIB-ZDUSSCGKSA-N 337.493 1.916 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(Cc2cc[nH]n2)CC1 95982315 BXWRKYOYKWSKES-UHFFFAOYSA-N 346.456 1.405 0 40 EDAB Cc1ccccc1C(=O)NCC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 95992899 IXANNFMRQJMGHF-CVEARBPZSA-N 332.444 1.980 0 40 EDAB CC(C)(CNC(=O)c1cncc(F)c1)CNC(=O)c1cncc(F)c1 95965668 DWDDVSHAEFGZHX-UHFFFAOYSA-N 348.353 1.941 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)n1cncn1 95978417 UKLIYRKXSXJYKD-VCTAVGKDSA-N 335.358 1.679 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)c3ccccc32)C1 95950676 MMVBAYMVVJIZMN-DZGCQCFKSA-N 329.400 1.264 0 40 EDAB Cn1cnc2cc(C(=O)N3CCN(C(=O)c4cccnc4)CC3)ccc21 75028880 JMSWBYNMFDVMFR-UHFFFAOYSA-N 349.394 1.567 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)NCc2ccnc(N(C)C)c2)C1 89840201 QTMDOKFYOOQMKX-MRXNPFEDSA-N 349.479 1.304 0 40 EDAB Cc1nnc(NC(=O)COc2cccc(N3CCCC3=O)c2)s1 23625928 TUNYUSGBZMLLTQ-UHFFFAOYSA-N 332.385 1.991 0 40 EDAB C[C@@H](Oc1cccc(Cl)c1)C(=O)OCC(=O)N1CCNC1=O 24960427 ULDVCTJJOSXDIF-SECBINFHSA-N 326.736 1.202 0 40 EDAB COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCNCC2)C1 306144945 ZSXUSJUMFHVFJI-UHFFFAOYSA-N 328.376 1.001 0 40 EDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408708163 HFSGDJZRECCMKJ-GFCCVEGCSA-N 347.415 1.185 0 40 EDAB CC[C@H](C)[C@H](CO)NC(=O)CSCc1nc2ccccc2c(=O)[nH]1 36358798 MEMDCXFYXOBEBH-FZMZJTMJSA-N 349.456 1.680 0 40 EDAB COc1ccc([C@H](CC(=O)N[C@H](C)Cn2ccnc2)NC(C)=O)cc1 42532467 NAXPCGYNNHWDTN-DYVFJYSZSA-N 344.415 1.664 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)N1C[C@@H]2CCCC[C@H]2C1 78323715 APIVTJJAVQDQJQ-GJZGRUSLSA-N 343.431 1.718 0 40 EDAB OCCN1CCN(C2=Nc3cccnc3Nc3cscc32)CC1 32072274 WUBVRGKEYJXSGZ-UHFFFAOYSA-N 329.429 1.888 0 40 EDAB CN(C)CCn1nc([C@H]2CCN(C(=O)C(C)(C)C)C2)c2nccnc21 72391684 PPVXZDVVQPUDAT-ZDUSSCGKSA-N 344.463 1.750 0 40 EDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2C 72264740 HSNXZIAWYLHRRJ-UHFFFAOYSA-N 348.428 1.747 0 40 EDAB COc1ccc(F)cc1C[C@@](O)(C1CCOCC1)[C@H]1CNCCO1 38307862 CPBHSHYQQLFAPW-QZTJIDSGSA-N 339.407 1.523 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@H](Sc3ncnn3C)C2)cc1 521395123 MUEMWPGPEPSWKM-LBPRGKRZSA-N 338.458 1.679 0 40 EDAB O=c1cc(-c2ccc(F)cc2)ncn1CCNS(=O)(=O)C1CC1 70637571 OLPYXRIQFBVCDQ-UHFFFAOYSA-N 337.376 1.131 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)cn1 40287636 FXSAYEFJEAMMLY-LBPRGKRZSA-N 332.360 1.041 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)c1 40465636 NHFPPAKNBUBCKQ-CQSZACIVSA-N 332.400 1.908 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2F)s1 225816778 SFWBNPCBHFINSF-UHFFFAOYSA-N 330.366 1.827 0 40 EDAB Cc1cnccc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 192614380 FBFFOPSDGZXKEO-UHFFFAOYSA-N 340.431 1.343 0 40 EDAB CC(C)c1nnc(CN2CCC([C@@H](O)C(=O)NC3CC3)CC2)s1 528460971 ADGPYQLOUKPOBE-CQSZACIVSA-N 338.477 1.513 0 40 EDAB O=C(NCc1cccc(F)c1)[C@H](Cc1ccccc1)n1cnnn1 45362328 UPPCENILBKSYET-INIZCTEOSA-N 325.347 1.912 0 40 EDAB COc1ccc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 224307418 UCURCIHMWHMGOK-UHFFFAOYSA-N 341.415 1.514 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)ccc1-n1cccn1 573107786 GNMGFKJLGSVMJX-CQSZACIVSA-N 333.413 1.488 0 40 EDAB O=C(Nc1cnc2ccnn2c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 225573698 URAGZARRTLZODV-NSHDSACASA-N 339.330 1.860 0 40 EDAB O=C(c1cccnc1)N1CCOC[C@]2(CC[C@@H](CN3CCCC3)O2)C1 96063366 NFNUESOEHBMQSB-HKUYNNGSSA-N 345.443 1.568 0 40 EDAB O[C@@H]1C[C@H]2CN(CCc3ccccc3)CC3(CN(CC4CC4)C3)N2C1 514289472 LVAPAYXTGNFTNK-VQTJNVASSA-N 341.499 1.444 0 40 EDAB biogenic,in-vitro O=C(CC1CC1)NCc1cn2c(n1)CN(Cc1nccs1)CC2 96197417 GFABRZRKDIVFJB-UHFFFAOYSA-N 331.445 1.772 0 40 EDAB O=C(COc1ccccc1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108735 DOQZPUZDOCRPDC-VQIMIIECSA-N 331.412 1.967 0 40 EDAB O=C(NCc1ccccn1)[C@H]1COC[C@H]2CN(C3CCCC3)C[C@H]21 96040773 ALEVIEQKXNOXHR-OLMNPRSZSA-N 329.444 1.835 0 40 EDAB CN(C)C(=O)C[C@@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2O1 96220415 FCBNUXDPYRNXHK-GRDNDAEWSA-N 332.400 1.483 0 40 EDAB O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(Cc1ccc(F)cc1)C2 96038718 XITKZLSIWCMWTJ-IEBWSBKVSA-N 348.418 1.666 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)CN2CCOCC2)cc1 583621070 WSIWEVGOBFGDSK-PKOBYXMFSA-N 348.443 1.226 0 40 EDAB O=C(c1ccncn1)N1CC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 96107644 WIMXITGPBVCENW-YJBOKZPZSA-N 340.383 1.462 0 40 EDAB CC(=O)[C@](Br)(I)S(C)(=O)=O 96518533 FXZNERCHOWBNMG-BYPYZUCNSA-N 340.964 1.104 0 40 EDAB Cc1nocc1C(=O)N1CCC2(CC1)C(=O)N(CC(C)C)CCN2C 96230059 VNPRIRRHNOTQMA-UHFFFAOYSA-N 348.447 1.388 0 40 EDAB CCN1CCN(S(=O)(=O)c2ccc3ncsc3c2)[C@H](C)C1=O 332619325 WHMQWYZEXGYDFB-SNVBAGLBSA-N 339.442 1.538 0 40 EDAB Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)N(C)Cc1cnccn1 96410628 PNGASDQZFOHJED-UHFFFAOYSA-N 338.371 1.928 0 40 EDAB CC(C)[C@@H]1CN(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)CCS1 96440618 UMHXEPRQMNGODO-GJZGRUSLSA-N 339.509 1.806 0 40 EDAB Cc1noc(C)c1CN1CCC2(CC1)CCN(CC(=O)N(C)C)C2=O 96046849 UQPGMZJRGXTIKU-UHFFFAOYSA-N 348.447 1.194 0 40 EDAB O=C(COC[C@]12CCCO[C@H]1CCN(CC1CC1)C2)N1CCCC1 96039969 OWTXZAFORVWWQQ-PKOBYXMFSA-N 336.476 1.907 0 40 EDAB CN1C(=O)C(=C2CCN(Cc3ccccc3)CC2)C(=O)N(C)C1=O 95098275 PDGXNLOFYNRSKY-UHFFFAOYSA-N 327.384 1.629 0 40 EDAB CN(C)CCOC[C@H]1CN(C(=O)[C@@H]2CC=CCC2)Cc2nnn(C)c21 96198537 CUAHIMKQAJDPGB-HUUCEWRRSA-N 347.463 1.175 0 40 EDAB CN(C)C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn21 248089675 FDSWCURSPVLCOB-OAHLLOKOSA-N 342.399 1.299 0 40 EDAB COc1ccc([C@@H]2CN(C3CCN(C)CC3)CCN2C(C)=O)cc1 257203427 APZZUTVGGPJTEL-IBGZPJMESA-N 331.460 1.995 0 40 EDAB CCn1cncc(NC(=O)CCCNC(=O)c2ccccc2)c1=O 585125500 VSFMCVVREGGDJB-UHFFFAOYSA-N 328.372 1.412 0 40 EDAB O=S(=O)(N1CCC[C@H]1CO)C1(COCc2ccccc2)CC1 585135154 AEOARAXJSLLPRJ-HNNXBMFYSA-N 325.430 1.522 0 40 EDAB O=C(CCCn1ccnc1)N1CCOC[C@@H]1CCc1cnccn1 257297129 RFZPLCNVLFMZAG-INIZCTEOSA-N 329.404 1.314 0 40 EDAB CCN(CC)S(=O)(=O)N(C)[C@@H]1CCCN(c2ccccn2)C1 257233116 GNWYZSQCCDCDDJ-CQSZACIVSA-N 326.466 1.569 0 40 EDAB COCCN1C(=O)Cc2c(C)nc([C@@]3(C)CCCN3C(C)=O)nc21 257225787 FHVBNAINAUJOHE-QGZVFWFLSA-N 332.404 1.178 0 40 EDAB Cc1nccc([C@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)n1 257244847 INBCKIYKIOAWBS-OAHLLOKOSA-N 328.372 1.006 0 40 EDAB CC(C)c1nnsc1C(=O)N1CCOC[C@@H]1CCc1cnccn1 257204206 ATNDVAYKIKASDD-ZDUSSCGKSA-N 347.444 1.925 0 40 EDAB COc1cccc2cc(C(=O)N3CC[C@@H](N4C(=O)CNC4=O)C3)oc12 253407738 WRVVFTFYUMAQHI-LLVKDONJSA-N 343.339 1.208 0 40 EDAB COc1nn(C)cc1C(=O)N[C@H]1CC[C@H](Oc2ccccn2)CC1 252537282 KWQSNUNJECYDHD-JOCQHMNTSA-N 330.388 1.944 0 40 EDAB C[C@H]1CN(C(=O)NCCc2cccc3[nH]ccc23)CCS(=O)(=O)C1 253398542 WSTFWKCPOQPHRY-ZDUSSCGKSA-N 349.456 1.787 0 40 EDAB O=C(C1CCOCC1)N1CCC2(CC1)C[C@@H](Cc1cncnc1)CO2 257319288 VRSWQNHXJXPWGW-OAHLLOKOSA-N 345.443 1.843 0 40 EDAB COc1ccc(NC(=O)[C@@]23C[C@H]2CCN(C)S3(=O)=O)cc1Cl 260826472 BGKVHZLJNMQHHL-YMTOWFKASA-N 344.820 1.711 0 40 EDAB CCc1c(C)nc2ncnn2c1N1CCN[C@@H](c2ccc(O)cc2)C1 1612845276 YICVHAQVQBBVEQ-MRXNPFEDSA-N 338.415 1.852 0 40 EDAB COC(=O)c1oc(S(=O)(=O)N2CC[C@H](C)[C@@H](CO)C2)cc1C 598623465 AQZUFCHOWKTFNF-GXSJLCMTSA-N 331.390 1.014 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)N[C@H](C(N)=O)c1ccccc1 1615590470 PPURVAFZBUSMCA-WFASDCNBSA-N 329.404 1.607 0 40 EDAB CCS(=O)(=O)c1ccccc1CC(=O)N1C[C@@H](N)C2(CCC2)C1 1615555725 XIZMYHYPWAQDTE-OAHLLOKOSA-N 336.457 1.363 0 40 EDAB CN(C)[C@H]1CN(S(=O)(=O)c2ccccc2F)CC12CCOCC2 1615614678 QQNHHYXOHCEFEV-HNNXBMFYSA-N 342.436 1.557 0 40 EDAB CCn1ncc(Br)c1C(=O)N[C@@H](C)c1noc(C)n1 1615612653 JQFLIRAOOAVOSI-LURJTMIESA-N 328.170 1.848 0 40 EDAB Cc1cc(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)no1 390829178 DEMPSGWFISGFEE-UHFFFAOYSA-N 339.355 1.565 0 40 EDAB CN(C)C(=O)NC[C@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21 585111895 IOCAMCINZIZKNQ-INIZCTEOSA-N 331.395 1.850 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)c1nccc2ccccc12 585279579 VUXSDFSERZKTKJ-GOSISDBHSA-N 327.384 1.731 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)c2ccnnc2)CCO1 585277726 XHTMHBKEFDVVHH-GOSISDBHSA-N 327.384 1.231 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@]3(CCN(c4ccccc4)C3=O)C2)n1 585100969 NLPUPCDEOOMSEI-SFHVURJKSA-N 339.399 1.474 0 40 EDAB O=C(Cc1cnc[nH]1)NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585283428 ARZRKYZFFKWXFY-MZMPZRCHSA-N 329.400 1.677 0 40 EDAB O=C(NCCCOCc1ccccc1)c1cnc2n(c1=O)CCS2 25840250 UWCRABJMMCGFIB-UHFFFAOYSA-N 345.424 1.686 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)NCc1nnc2n1CCCCC2 43779825 JHYLQGLXSFRRPM-UHFFFAOYSA-N 332.408 1.951 0 40 EDAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O 48314095 QTMGNOHHGPUVNJ-CYBMUJFWSA-N 330.793 1.152 0 40 EDAB C[C@H](Cc1ccccc1F)NC(=O)CS[C@H]1CCS(=O)(=O)C1 53190534 HYRASDIUDRIIHJ-YPMHNXCESA-N 345.461 1.793 0 40 EDAB Cn1cnc2c(N3CCCN(C4CCSCC4)CC3)ncnc21 1776001425 ROEINBRSYLOVRH-UHFFFAOYSA-N 332.477 1.771 0 40 EDAB Cc1cc(NC[C@@H]2CCc3nnc(C(C)C)n3C2)n2ncnc2n1 78766457 CMZOIKSWVUFWMT-LBPRGKRZSA-N 326.408 1.822 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)CCN1 88059390 OIPLXEHBUYFESB-QMMMGPOBSA-N 337.214 1.571 0 40 EDAB COc1ccc(CCC(=O)N2CCN(c3cnn(C)c3)CC2)cc1 80483413 CILOCBRCZRMNPN-UHFFFAOYSA-N 328.416 1.710 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)c3ccc(=O)[nH]n3)c2O1 40510903 LDBSRAADRZXIGM-UHFFFAOYSA-N 329.356 1.292 0 40 EDAB CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCCCN1CCOCC1 5000578 SMKVZXNBOVLKBZ-JTDSTZFVSA-N 337.508 1.629 0 40 EDAB COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2S(=O)(=O)N(C)C)cc1 12085393 UOOULBVXCDDOQJ-WOSRLPQWSA-N 340.445 1.733 0 40 EDAB O=C(NC1CC1)[C@H]1C=CCN1S(=O)(=O)c1ccccc1Cl 12115058 SZVNWKBCRHPMPG-GFCCVEGCSA-N 326.805 1.548 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1nc(-c2ccco2)cc(N)c1=O 12146664 NURCAHHJYKGOMV-TXEJJXNPSA-N 330.388 1.875 0 40 EDAB COc1ccccc1-c1cc(C(=O)NCCn2nc(C)nc2C)no1 12195774 AVUISQHBQRPPLS-UHFFFAOYSA-N 341.371 1.989 0 40 EDAB CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 16899517 YHYJHDDZHSKJFY-NSHDSACASA-N 337.353 1.313 0 40 EDAB CCCc1cc(=O)[nH]c(SCC(=O)N2[C@@H](C)COC[C@H]2C)n1 19015700 ARFYBKFIUQZGAC-PHIMTYICSA-N 325.434 1.450 0 40 EDAB Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(=O)n1C 19131860 IUSDBXGVTPFAIF-SNVBAGLBSA-N 327.340 1.665 0 40 EDAB Cc1cnn(CC(=O)Nc2ccc(OCC(=O)N3CCCC3)cc2)c1 19239951 FCQVTYKHXHSJFO-UHFFFAOYSA-N 342.399 1.831 0 40 EDAB CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C(C)=C1C(=O)OC 19819197 LCJGMTCPBKAYHB-CYBMUJFWSA-N 334.347 1.762 0 40 EDAB COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@@H]1N2C(=O)O 169748415 PNJFEOGCMIEFTL-XDQVBPFNSA-N 333.340 1.916 0 40 EDAB C/C=C/C(=O)OCc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC 7123847 DXAJCNAOWRBCNO-VMPITWQZSA-N 334.376 1.326 0 40 EDAB O[C@@H]1[C@@H](CNCC2(O)CCOCC2)CC[C@H]1Oc1cccc(F)c1 643585658 WGTPBCUMWHHPID-KBRIMQKVSA-N 339.407 1.475 0 40 EDAB Cc1cc(C)n(CCNC(=O)c2cccnc2O[C@@H]2CCOC2)n1 245015314 LVSCNSOIECNLHK-CQSZACIVSA-N 330.388 1.493 0 40 EDAB CCN=c1nc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)cc[nH]1 1889130310 FFOLMNSSKQXCOH-UHFFFAOYSA-N 345.422 1.800 0 40 EDAB O=C(CCn1ccnc1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037913046 MLWQPJXPZJOWHG-GOSISDBHSA-N 347.390 1.845 0 40 EDAB CCN(CC)C(=O)[C@H]1CN(Cc2cc(C)[nH]n2)CC12CCOCC2 1565541762 ZZQJCCLXTHPUTL-MRXNPFEDSA-N 334.464 1.815 0 40 EDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)C3CC(F)(F)C3)CC[C@H]21 1565548183 ZBJGWNOGBVZGSS-CABCVRRESA-N 345.434 1.285 0 40 EDAB COc1ccc(N2C[C@H](NC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2=O)cc1 4373449 NOLYRFGQYFRLHJ-MGPQQGTHSA-N 347.415 1.619 0 40 EDAB Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CC[C@H](CF)C1)CS2 1848762865 XGPCNWDTDZWYCI-NEPJUHHUSA-N 325.409 1.715 0 40 EDAB COc1ccc(CN2CCC[C@H](NS(=O)(=O)C3CC3)C2)cc1F 2086864700 BUABKGDOHGZLDS-ZDUSSCGKSA-N 342.436 1.881 0 40 EDAB Cn1nccc1-c1cncc(CNC(=O)OCCN2CCOCC2)c1 575616454 MISRAUIAGDGPAE-UHFFFAOYSA-N 345.403 1.041 0 40 EDAB C[C@H](NC(=O)C1CN(c2cc(-n3cncn3)ncn2)C1)c1ccccc1 575610907 ZYMTTXAQROODPE-ZDUSSCGKSA-N 349.398 1.371 0 40 EDAB NC(=O)C1CCN(C(=O)Cc2cc(-c3ccc(F)cc3)on2)CC1 11693167 XSVKCHNCBLBXFP-UHFFFAOYSA-N 331.347 1.747 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccccc1Cl 21883888 XTYVWCZEYCBOCX-UHFFFAOYSA-N 343.792 1.718 0 40 EDAB O=C(CN1CCCCC1=O)N1CCN(c2cc(F)ccc2F)CC1 96456100 UXGCMVJISDOXDZ-UHFFFAOYSA-N 337.370 1.626 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)NCc2ccnc(N(C)C)c2)cc1 40512730 XIXMTBLUYKKIEA-UHFFFAOYSA-N 333.413 1.829 0 40 EDAB Cn1cc(S(=O)(=O)NC(=O)CCCOCc2ccccc2)cn1 51897458 ROBOEXGCEJVWKZ-UHFFFAOYSA-N 337.401 1.222 0 40 EDAB CN1C(=O)c2ccc(C(=O)NCCN(C)c3ccccc3)cc2C1=O 32837405 CEUTVHIOFPWSMP-UHFFFAOYSA-N 337.379 1.779 0 40 EDAB O=C(O)[C@H]1CC(=O)N(c2ccc(I)cc2)C1 105495 DADZYTUNVAXREA-ZETCQYMHSA-N 331.109 1.729 0 40 EDAB Cc1cn([C@H]2C=C[C@H](COC(=O)c3ccccc3)O2)c(=O)[nH]c1=O 389025 BKZQWZPYZIYYAQ-ZIAGYGMSSA-N 328.324 1.156 0 40 EDAB CN(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3O)n2)cc1 416948 MMEZLKBFFHJSRW-UHFFFAOYSA-N 338.371 1.750 0 40 EDAB CCN(CC)C(=O)CSc1nnc(COc2ccc(C)cc2)n1N 807224 BBEHSGPQZBOBSA-UHFFFAOYSA-N 349.460 1.840 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CC(=O)N(C)[C@@H](C)c3ccccc3)CCO2)n1 76048547 MJSQAKNZPBLQEW-BBRMVZONSA-N 343.431 1.706 0 40 EDAB O=C1CCN(CC(=O)N2CCCC[C@H]2Cc2ccccc2)C(=O)N1 78611730 JGHCLZPNGLHCOY-HNNXBMFYSA-N 329.400 1.552 0 40 EDAB CCc1cnc(CN(C)[C@@H]2CCN(CC(=O)Nc3cc(C)on3)C2)o1 78892024 SYHSTAANSUREGT-CYBMUJFWSA-N 347.419 1.678 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)CCCn3ccnc3C)CCO2)n1 78889797 AKZQRUPFELWLIK-AWEZNQCLSA-N 346.435 1.642 0 40 EDAB COc1cccc([C@H](O)CN2CCO[C@H](CNc3cccnn3)C2)c1 78893563 YKJBBIJJZGZNIW-IAGOWNOFSA-N 344.415 1.332 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nc(N)cc(N)n1 3406342 WYOXWQTZGXGNBU-DTWKUNHWSA-N 338.437 1.138 0 40 EDAB CCOC(=O)NC12C3[C@@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 103107979 MPHRYCFTYHKDSR-LIBQNVOSSA-N 342.189 1.113 0 40 EDAB CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(C)s1 6679778 SWSVSFSFSDZIRU-UHFFFAOYSA-N 332.447 1.217 0 40 EDAB COC(=O)c1ccc(NC(=O)c2ccc(F)cc2-n2cnnn2)cc1 12322309 PLSXAHMTZVMJCC-UHFFFAOYSA-N 341.302 1.840 0 40 EDAB Cc1cccc2c(=O)[nH]c(Cn3nnn(-c4cccs4)c3=O)nc12 23107512 MUANGEBAOFKSSY-UHFFFAOYSA-N 340.368 1.084 0 40 EDAB CC(C)N1[C@H](Cn2cncn2)C[C@@H]2CN(C[C@H]3CCOC3)CC[C@@H]21 107203348 AWXUIIIUBATQGI-BDXSIMOUSA-N 333.480 1.488 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)c1 42996794 MCYHDHSTUOTZQM-GFCCVEGCSA-N 341.429 1.893 0 40 EDAB CN(Cc1nc(N)nc(N)n1)Cc1ccccc1N1CCCCC1 12534074 GDYGZFLTXRKKIG-UHFFFAOYSA-N 327.436 1.658 0 40 EDAB COCCCN1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1)NC(=O)N2 9317218 FOTINROSYQWRRT-AWEZNQCLSA-N 335.791 1.827 0 40 EDAB Cn1c(S)nnc1CCNC(=O)C(=O)c1ccc(C(C)(C)C)cc1 106499878 UUMSJPGOKRJCCL-UHFFFAOYSA-N 346.456 1.943 0 40 EDAB O=C(NC[C@H]1CCCO1)c1ccc(=O)n(CCOc2ccccc2)n1 25705011 OAHWYLQQHREEMN-OAHLLOKOSA-N 343.383 1.231 0 40 EDAB COc1ccnc(N(C)C[C@H](O)COc2ccc3c(c2)OCO3)n1 57151942 VYNYVTDQCPIMMB-NSHDSACASA-N 333.344 1.090 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)NCCc1ccc2c(c1)OCO2 26912397 GGTGANNRKJAJFF-UHFFFAOYSA-N 341.289 1.990 0 40 EDAB C[C@H](CNC(=O)Nc1cccnc1N1CCCC1)N1CCOCC1 48171653 VILRATDELXTBHB-CQSZACIVSA-N 333.436 1.524 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)N1CCN(c2ccccc2O)CC1 48289646 USRQUIFBTRTAKU-UHFFFAOYSA-N 349.431 1.956 0 40 EDAB O=C(CN1CCC(C(=O)NCc2ccco2)CC1)NCc1ccco1 58174845 KAMAQWCJGOEQBP-UHFFFAOYSA-N 345.399 1.517 0 40 EDAB C[C@@H](Sc1nncs1)C(=O)NCc1ccc(-n2cccn2)nc1 48273051 KHVLBLNUURWZSU-SNVBAGLBSA-N 346.441 1.916 0 40 EDAB CCn1cnnc1CNC(=O)N1CCN(c2cccc(OC)c2)CC1 44970845 QBPDXFUXJSKGKQ-UHFFFAOYSA-N 344.419 1.338 0 40 EDAB CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccnc(OC2CCCC2)c1 44938912 PNLUTYDTUDMPNL-OAHLLOKOSA-N 334.420 1.712 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(F)c(Cl)c2)C1 58344856 RZYPEOWNSNNTGY-LLVKDONJSA-N 348.827 1.767 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1ccnc(N2CCOCC2)c1 58392201 OEUYOXYDBSDTFD-UHFFFAOYSA-N 344.463 1.316 0 40 EDAB Cn1nc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)ccc1=O 10871624 XYSKWOFJOCGQNG-UHFFFAOYSA-N 338.323 1.878 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NCC(F)(F)F 48364561 ZGWRBDOCMCEZDS-UHFFFAOYSA-N 342.314 1.433 0 40 EDAB CC(C)N1C(=O)c2ccc(C(=O)NCc3ccco3)cc2S1(=O)=O 48369335 AUKOHLCZUZGUTF-UHFFFAOYSA-N 348.380 1.763 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)Nc2cc(C)nn2C)s1 48363060 DSBIONGDOLEIAH-UHFFFAOYSA-N 343.434 1.020 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCCN1CCOCC1 60141936 XRQMWFRJJTXZFA-AWEZNQCLSA-N 341.452 1.224 0 40 EDAB CCOCCO[C@@H](C)C(=O)NC[C@@H](C(=O)OC)c1cccc(C)c1 69586017 XAQRESBOVGBHEI-GOEBONIOSA-N 337.416 1.809 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[C@H](C)CO1 69569759 SIHXVYBJNIVQPC-NXEZZACHSA-N 346.836 1.961 0 40 EDAB Cc1sc2ncnc(N3CCC4(CC3)NC(=O)NC4=O)c2c1C 12908631 IMZWYSVQXFCHHD-UHFFFAOYSA-N 331.401 1.487 0 40 EDAB COCCc1noc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1 69625513 WBJXZLKKBSDMIR-INIZCTEOSA-N 346.431 1.110 0 40 EDAB CS[C@H](C)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 69622279 KCYPHEGLZWEREF-CQSZACIVSA-N 349.500 1.880 0 40 EDAB C[C@H](CNC(=O)Nc1ncn(Cc2ccccc2)n1)Cn1cccn1 69739593 KBDXXZYZXPNSQB-CQSZACIVSA-N 339.403 1.981 0 40 EDAB COC(=O)c1c(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc(C)c1C 4392529 BUOYCGLPFVNNKY-SNVBAGLBSA-N 345.442 1.915 0 40 EDAB O=C1C[C@H](CNS(=O)(=O)c2cccnc2)CN1c1ccccc1 8808607 APNSDGNYIDCUOU-CYBMUJFWSA-N 331.397 1.413 0 40 EDAB NC(=O)CN(C(=O)c1ccn(-c2cccc(F)c2)n1)C1CCCC1 65491808 HNSOVEXPXAIPAB-UHFFFAOYSA-N 330.363 1.882 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2CCN(Cc3cnn(C)c3)CC2)cc1 69893831 HRBURSJVHPYCEB-SFHVURJKSA-N 344.459 1.286 0 40 EDAB Cc1cc(C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)on1 69813722 GBJAGUZTQYLLLW-CQSZACIVSA-N 325.328 1.816 0 40 EDAB O[C@H](COc1ccc(F)cc1)CN1CCC[C@H](Cn2cncn2)C1 69840901 AGIABSXPAUIRJH-HOCLYGCPSA-N 334.395 1.569 0 40 EDAB O=C(c1ccc(F)cc1F)N1CCN(c2ncnc3[nH]cnc23)CC1 65589448 NHGLQDRJPFWOSJ-UHFFFAOYSA-N 344.325 1.594 0 40 EDAB COC[C@@]1(C)NC(=O)N(Cc2ccc(Br)cc2)C1=O 65518741 XGIPAEHOFAWJJZ-CYBMUJFWSA-N 327.178 1.906 0 40 EDAB CCOc1ccc([C@H]2CCCN2C(=O)Cn2[nH]c(=O)ccc2=O)cc1 65612088 MQHFTTDXKPLLBW-OAHLLOKOSA-N 343.383 1.299 0 40 EDAB CCN(C(=O)[C@@H]1COc2ccccc2C1)[C@@H](C)CS(=O)(=O)CC 69950531 JBWNKOIEFSIOEF-ZFWWWQNUSA-N 339.457 1.909 0 40 EDAB C[C@H](OC(=O)CN(C)c1ncccn1)C(=O)Nc1ccc(Cl)cn1 23173954 VDRVJTQYUKSMBQ-JTQLQIEISA-N 349.778 1.532 0 40 EDAB O=C(CNC(=O)C(=O)NCc1ccccc1)Nc1cccc(Cl)c1 8735112 DVKZJXAUVBIQIL-UHFFFAOYSA-N 345.786 1.711 0 40 EDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(F)cc(F)c1 7032096 JMWLURBRTLNTRA-UHFFFAOYSA-N 340.307 1.921 0 40 EDAB C[C@@H]1CN(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)C[C@@H](C)O1 15481599 SCZUELAUQPYVLK-VXGBXAGGSA-N 344.367 1.321 0 40 EDAB CCNC(=O)c1cc(Cl)ccc1NCC(=O)N1CCOCC1 67450925 SQKXNAHORVZWMR-UHFFFAOYSA-N 325.796 1.360 0 40 EDAB COCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2C 71195961 KGBXICGYLFTKCS-UHFFFAOYSA-N 326.418 1.174 0 40 EDAB COC(=O)C1CCN(CC(=O)NC(=O)Nc2ccccc2F)CC1 7636717 MIWLRZRGYAVFJP-UHFFFAOYSA-N 337.351 1.359 0 40 EDAB COCCN1CC[C@H](CNC(=O)c2ccc3nc(C)c(C)nc3c2)C1 68493002 IPYURZWARMNGNQ-OAHLLOKOSA-N 342.443 1.945 0 40 EDAB COCCOCC(=O)N(CC(=O)OC)Cc1ccccc1Cl 69350261 OUBPOZQMKLJUNT-UHFFFAOYSA-N 329.780 1.505 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)N1CSC[C@@H]1C(=O)N1CCCC1 69491435 FTNNYSPDOGQCAV-QWHCGFSZSA-N 347.506 1.103 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N1CCn3c(C)nnc3C1)=C2 69459740 RJIIUXYSXSIXTJ-UHFFFAOYSA-N 340.383 1.803 0 40 EDAB Cc1noc(Cl)c1CCC(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 72300456 NBXQWYBQVRDMGN-BXUZGUMPSA-N 341.839 1.748 0 40 EDAB O=S(=O)(c1ccc(Br)s1)N1CCn2cnnc2C1 96478284 RHKGLHVPNHIFBO-UHFFFAOYSA-N 349.235 1.307 0 40 EDAB COc1ccc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2C)cc1 9560763 LDOLTXARIVPMOM-UHFFFAOYSA-N 333.369 1.974 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCC[C@H]1Cn1cc(C)cn1)C1CCCC1 71869716 REWUPEDTLQNESN-IRXDYDNUSA-N 332.448 1.877 0 40 EDAB COC(=O)CN(CCN1CCOCC1)C(=O)C[C@@H](C)c1ccccc1 71893448 MPGAFORINOELSA-MRXNPFEDSA-N 348.443 1.514 0 40 EDAB Fc1cccc([C@@H](CNc2ccc3nnnn3n2)N2CCOCC2)c1 71833168 NHVATAZVEPDAHC-CQSZACIVSA-N 343.366 1.144 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2ccc(Cl)cc2)C1 71820008 QDXFLGIOZLMWJM-JSGCOSHPSA-N 343.832 1.675 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H](N2CCNC2=O)C1 71841743 YGIQJOXVXXRXJU-CQSZACIVSA-N 345.399 1.364 0 40 EDAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3ccc(C)n(C)c3=O)C2)n1 71870897 GZFCIQZXGZINMC-HNNXBMFYSA-N 328.416 1.984 0 40 EDAB CON(C)C[C@H](O)Cn1cc(NC(=O)Nc2cccc(C)c2C)cn1 71915960 ISDUFRYRKGFIQW-HNNXBMFYSA-N 347.419 1.998 0 40 EDAB CCOC(=O)[C@@H](CO)NC(=O)CCCOc1ccc(C(C)=O)cc1 97083307 KJVOYIFWNWEOBY-OAHLLOKOSA-N 337.372 1.088 0 40 EDAB Cn1nccc1[C@@H]1CCCN([C@@H]2CCN(CC(F)(F)F)C2=O)C1 72277636 MVAIHRRJKRKCAR-DGCLKSJQSA-N 330.354 1.763 0 40 EDAB CCN1N=C(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)CCC1=O 72299429 YMLVPBPNHYMMJK-GFCCVEGCSA-N 333.392 1.855 0 40 EDAB Nc1cc2c(nn1)CCN(C(=O)CCc1ccc3c(c1)OCO3)C2 72279468 VKVKIDZRBVKKPB-UHFFFAOYSA-N 326.356 1.305 0 40 EDAB CCS(=O)(=O)CC(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1 72232091 JHIXJZTVEOPOQI-LLVKDONJSA-N 329.422 1.334 0 40 EDAB CNC(=O)COc1ccccc1CNC[C@@H]1CCCn2cc(C)nc21 84257818 QXWUIWJLOIBOJN-INIZCTEOSA-N 342.443 1.984 0 40 EDAB C[C@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1F 97163101 LXHLLWFCPUATOH-QMMMGPOBSA-N 338.198 1.998 0 40 EDAB COCCn1cc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)cn1 95439946 LKSCAOYUGUSORU-UKRRQHHQSA-N 327.450 1.873 0 40 EDAB Cn1ccc(CNC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)c1 95440819 LRTIYUYPZYSPBJ-CABCVRRESA-N 333.388 1.652 0 40 EDAB O=C1N[C@@H](C(=O)NCCc2ccccc2Br)CS1 73175083 RQWMBEVBOHAOCX-SNVBAGLBSA-N 329.219 1.933 0 40 EDAB O=C(NCCCN1CCOCC1)NC[C@H]1C[C@]12CCc1ccccc12 88478479 JOXWLGBUQOBFGM-YLJYHZDGSA-N 343.471 1.912 0 40 EDAB CCS(=O)(=O)N(CCc1cccs1)Cc1nnc(C)n1C 95939562 DNUTVZVPSNHSMJ-UHFFFAOYSA-N 328.463 1.579 0 40 EDAB Cn1nnnc1-c1cccc(NCC(=O)Nc2ccc(Cl)cn2)c1 75094133 ADUPQMWZGRDFOE-UHFFFAOYSA-N 343.778 1.976 0 40 EDAB Cc1cc(C)c(CNC(=O)N[C@H](C)COCC(F)(F)F)c(=O)[nH]1 75124722 VUWVXIFFFYKIQF-SNVBAGLBSA-N 335.326 1.758 0 40 EDAB CC(C)(C(=O)NCCS(N)(=O)=O)c1cccc(Br)c1 89761858 LLDBLHZGABVXNK-UHFFFAOYSA-N 349.250 1.131 0 40 EDAB O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CCCSCC1 89834776 UNEFXWBAHVCUOY-HNNXBMFYSA-N 334.441 1.380 0 40 EDAB COCC(=O)N1CC2(C[C@H](COCc3ccccn3)CCN2C)C1 306123380 ALTWRQVVGRVDJF-OAHLLOKOSA-N 333.432 1.167 0 40 EDAB C[S@](=O)c1nncn1-c1nc(-c2ccncc2)nc2c1CCC2 79311259 ZQXZQASIZJJTTQ-HSZRJFAPSA-N 326.385 1.345 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@]2(N)C(=O)O)cc1 218644641 RZYWPJMBWLNCHT-ZOBUZTSGSA-N 349.383 1.856 0 40 EDAB Cn1cc(CCCNC(=O)N2CCCN(C(=O)C3CC3)CC2)cn1 128750456 QIAGPJFIJXIUPS-UHFFFAOYSA-N 333.436 1.007 0 40 EDAB Cc1nnc(CN(C)CC(=O)N2CCc3cc(F)ccc3[C@@H]2C)n1C 73880945 BLOKSUCJAFXLNU-LBPRGKRZSA-N 345.422 1.840 0 40 EDAB O=C1NC[C@@]2(CCCN(C(=O)CCNC(=O)c3ccc(F)cc3)C2)O1 72151638 PKDQQNZXFPAWBN-QGZVFWFLSA-N 349.362 1.047 0 40 EDAB Cn1cc(CN2CCN(S(C)(=O)=O)CC2)c(C2CCCCC2)n1 182965972 GONPKTDIWFBESA-UHFFFAOYSA-N 340.493 1.545 0 40 EDAB Cc1cnc2c(S(=O)(=O)N3CCC[C@@H](C(N)=O)C3)cccc2c1 42626130 UHLPOFIAEBJIBY-CYBMUJFWSA-N 333.413 1.429 0 40 EDAB CS(=O)(=O)Cc1noc(CN2CC=C(c3ccccc3)CC2)n1 75622309 FKXZSBRXLRBSTI-UHFFFAOYSA-N 333.413 1.904 0 40 EDAB C[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cncc(C(=O)O)c1 563071677 GTYAMFCZOGVZPB-NSHDSACASA-N 332.381 1.915 0 40 EDAB CC(C)CNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 224911437 YHQOXOHCUGQEJD-UHFFFAOYSA-N 332.853 1.874 0 40 EDAB CC1(C)Oc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2NC1=O 46088705 HYBKNRGYGNNVIC-SNVBAGLBSA-N 340.401 1.253 0 40 EDAB CNc1nc(N2CCN(CC(C)(C)O)CC2)ncc1Br 132293063 VLBFRMYIYILXOB-UHFFFAOYSA-N 344.257 1.174 0 40 EDAB COc1ccc(C(=O)NCc2nc(C)cc(N(C)C)n2)cc1OC 224185608 NGOSCTHDCBSQQO-UHFFFAOYSA-N 330.388 1.798 0 40 EDAB COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)[C@H](C)c1ccccc1 225789213 YUDKDSZFXLQGHP-QJPTWQEYSA-N 327.402 1.434 0 40 EDAB Cc1cc(=O)n(CCNC(=O)c2ccc(Br)o2)cn1 85470869 LOXLLHHNMLBNBK-UHFFFAOYSA-N 326.150 1.337 0 40 EDAB CN(Cc1ccccn1)[C@@H]1CO[C@]2(CCN(Cc3cncn3C)C2)C1 96219874 GUCJFYMYHMPERK-PKOBYXMFSA-N 341.459 1.681 0 40 EDAB Fc1cnc(N[C@@H]2CO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 96048512 CYCPZSQBLYORDS-BBRMVZONSA-N 330.367 1.646 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)CC(C)C)CC2)[C@]2(CCN(C)C2=O)C1 96262612 JMEKWKDZNXZWQQ-LJQANCHMSA-N 349.475 1.352 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CCCN(C)c3ccc(F)cc32)CC1 96443444 VHSVQSOGJOPXFA-UHFFFAOYSA-N 348.422 1.163 0 40 EDAB COc1ncccc1C(=O)N1C[C@@H]2C[C@@H](c3nc(C)no3)O[C@@H]2C1 96045810 VGPVOTKROJNTTK-WCFLWFBJSA-N 330.344 1.384 0 40 EDAB O=C([C@@H]1CCO[C@@H]2CCN(c3ncc(F)cn3)C[C@H]21)N1CCCO1 96043390 ZCIXRRAALOZWPD-HZSPNIEDSA-N 336.367 1.011 0 40 EDAB C[C@H](CCn1cccn1)NC[C@@H]1C[C@H](F)CN1Cc1ncccn1 583624099 YYVOHPKSYBYBEG-PMPSAXMXSA-N 332.427 1.654 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(C[C@@H](C)c2ccc(OC)cc2)C1 97235558 XDPURDPIULQPDG-CJNGLKHVSA-N 326.462 1.812 0 40 EDAB CC(C)N(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3cccn3C)C2)O1 96160248 UGZYSNRIVDBANQ-QFBILLFUSA-N 349.475 1.756 0 40 EDAB C[C@H](CNC(=O)c1cn(-c2cccc(Cl)c2F)nn1)[S@@](C)=O 96494182 VUXYPOBWHYTNLI-PJLCYMMNSA-N 344.799 1.557 0 40 EDAB Cn1ccnc1N1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 96436926 YURWLNCFGPZCPJ-KRWDZBQOSA-N 340.427 1.773 0 40 EDAB C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1Cc1ccco1 96087589 WFHNWMWNGXDMQJ-OAHLLOKOSA-N 329.448 1.800 0 40 EDAB COc1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC(=O)N(C)C)cc1 96041564 JURCCWILRHYEIV-YQVWRLOYSA-N 348.443 1.532 0 40 EDAB CN(C)[C@@H](CNc1ncccc1S(N)(=O)=O)C1CCCCC1 96429168 WNUBRZCPUILNHP-ZDUSSCGKSA-N 326.466 1.651 0 40 EDAB O=C(c1cnoc1)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 96110435 NCOMHPWLOIBRGH-PBHICJAKSA-N 329.356 1.770 0 40 EDAB O=C(COc1ccccc1)NCc1nccc(N2CCOCC2)n1 96120871 DFDNZWQETCQDDO-UHFFFAOYSA-N 328.372 1.008 0 40 EDAB C[C@H]1CN(C(=O)NCc2cccc(-n3ccnc3)c2)CC[S@](=O)C1 580818840 NTRJGZOVCCOEIT-BSEYFRJRSA-N 346.456 1.782 0 40 EDAB O=C1C[C@]2(CCN(c3cnccn3)C2)CN1c1ccc2c(c1)OCO2 96239017 QTNOHMPXXREESP-SFHVURJKSA-N 338.367 1.839 0 40 EDAB O=C(NCCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(CC3CC3)C[C@H]21 96043378 GQWGRZLBFIUDSZ-CEXWTWQISA-N 343.471 1.877 0 40 EDAB COc1cc(N2CCC[C@@]3(CCN(C(=O)NC(C)C)C3)C2)ncn1 96216604 SEFBMVQKJXSJNR-QGZVFWFLSA-N 333.436 1.896 0 40 EDAB CCOCc1ncn2c1CN(S(=O)(=O)c1cccs1)CC2 96260164 ILBWHKUDADIVPN-UHFFFAOYSA-N 327.431 1.686 0 40 EDAB O=C(N[C@H]1CN(Cc2cccnc2)[C@@H]2CCCO[C@H]12)c1cnccn1 96186912 COTFGXCREBHVLJ-GVDBMIGSSA-N 339.399 1.033 0 40 EDAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@]2(COC)C(=O)O)cc1 242522180 IKRLAWHJHXNVRB-IIAWOOMASA-N 326.414 1.867 0 40 EDAB CN(C)C(=O)c1cccc([C@@H]2CN(c3ncccn3)CCN2C)c1 247950674 BWSZSFVTDKNLKQ-INIZCTEOSA-N 325.416 1.672 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CN(Cc2ccoc2)Cc2cncn21 247521105 XJRBYOVDZUGGAF-KRWDZBQOSA-N 337.383 1.744 0 40 EDAB COCC(=O)N1CC[C@@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 257224552 FCGQEGSYGNZESU-CYBMUJFWSA-N 327.388 1.886 0 40 EDAB CCCn1ccc(C(=O)N[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)n1 257257375 KPIURLGIRMOYDE-FVQBIDKESA-N 330.388 1.389 0 40 EDAB COCC(=O)N1[C@@H](c2ccccc2)C[C@@]2(C)[C@@H](O)[C@@H](O)CCC[C@@H]12 257277571 NYMLYAPPFSVMLA-NZKYLMMGSA-N 333.428 1.887 0 40 EDAB CCc1nnsc1C(=O)N1CCC[C@H](Cc2nccnc2N)C1 257209341 BQAIGBZFCDMNSN-SNVBAGLBSA-N 332.433 1.568 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)c1ncoc1C 257241501 HYGJGIPRPJDURU-CQSZACIVSA-N 343.387 1.695 0 40 EDAB Cc1cnn(CC(=O)N2C[C@H]3CC[C@@H](N(C)c4cnccn4)[C@H]3C2)c1 257321647 WCOCHPSSQRDFMJ-OWCLPIDISA-N 340.431 1.355 0 40 EDAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2cn(C)nc2C)ccn1 257226635 FLLYFVCIWXKYGW-KRWDZBQOSA-N 341.415 1.737 0 40 EDAB COc1ccccc1C1(CNC(=O)[C@H](N)CCC(N)=O)CCCC1 585095634 NPHMCUGZAOFOOZ-CQSZACIVSA-N 333.432 1.216 0 40 EDAB CS(C)(=O)=NCCNS(=O)(=O)c1cc(F)cc(Cl)c1 585115105 MPRKOHUQJFSLJU-UHFFFAOYSA-N 328.818 1.485 0 40 EDAB CN1CCN(CC2=Cc3ccccc3OC2)C[C@@H](C(=O)N(C)C)C1 257270769 MVPACKHUWOIGBO-KRWDZBQOSA-N 329.444 1.414 0 40 EDAB CCn1cc(-c2cncc([C@H]3CCCN(S(C)(=O)=O)C3)n2)cn1 257333323 YBCDNLRZMGAUNH-LBPRGKRZSA-N 335.433 1.499 0 40 EDAB CC[C@H](CNC(=O)N1CC[C@@](F)(CO)C1)N1CCc2ccccc2C1 252478088 ACVNEWDJWTXLKE-MJGOQNOKSA-N 349.450 1.939 0 40 EDAB CC(=O)N1CCN(C(=O)c2c(-c3cccs3)noc2[C@H](C)O)CC1 253403217 PPBVBXLWWSDTNM-JTQLQIEISA-N 349.412 1.761 0 40 EDAB biogenic,in-vitro CC(=O)N1CC2(CCN(C(=O)c3ccncc3)CC2)C[C@H](O)C1(C)C 257281059 ONLPWNBODWWVBU-INIZCTEOSA-N 345.443 1.696 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ccno3)CC2)C[C@H](O)C1(C)C 257270915 MWDZTGNMOSHPOB-AWEZNQCLSA-N 335.404 1.289 0 40 EDAB Cc1cc(C)n(CC(=O)NCc2ccnc([C@@H]3CCCOC3)n2)n1 257245928 IRSLTDRMBYIVHD-CQSZACIVSA-N 329.404 1.500 0 40 EDAB O=C(c1cccnn1)N1CCOC[C@H](Cc2nccn3cccc23)C1 257238906 HNBAXSSFCFINML-CQSZACIVSA-N 337.383 1.456 0 40 EDAB O=C(c1cnn2ccccc12)N1CC[C@](C(=O)O)(C(F)(F)F)C1 261923130 RVPDXCFLVHSHND-ZDUSSCGKSA-N 327.262 1.814 0 40 EDAB O=C(O)[C@@H](NS(=O)(=O)c1ccc(C(F)F)cc1)[C@H]1CCOC1 548768981 FFQVKMRRQZETQF-ONGXEEELSA-N 335.328 1.392 0 40 EDAB CCOc1cc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nc(C)n1 596158411 XIDSUTSSXZDUFN-MRXNPFEDSA-N 333.480 1.788 0 40 EDAB O=C1COC(c2ccc(NC(=O)NC[C@@H]3CC=CCC3)cc2)=NN1 1615059312 ZYQJMZWYZFUXPN-GFCCVEGCSA-N 328.372 1.972 0 40 EDAB Cc1cccc2c1N(S(=O)(=O)c1c(C3OCCO3)cnn1C)CC2 1616038004 OEPWKPRJELWBBJ-UHFFFAOYSA-N 349.412 1.525 0 40 EDAB Cc1ccc(O[C@H](C)Cn2nnnc2N(C)C[C@@H]2COCCO2)cc1 1616033317 NLSYNGYWOKQKBC-GDBMZVCRSA-N 347.419 1.301 0 40 EDAB O=C(O)COc1ccc(C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1 659760357 MOGZFPZPIMJLHH-CYBMUJFWSA-N 331.328 1.977 0 40 EDAB C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)[C@H]1C[C@H]1C 585096623 WHITWNSUANDNHK-XUJVJEKNSA-N 330.432 1.511 0 40 EDAB c1ccc(CN2Cc3ccnn3CC[C@@H]2CN2CCOCC2)nc1 585096729 BJZAQFRWVAHKHU-QGZVFWFLSA-N 327.432 1.385 0 40 EDAB CCNC(=O)CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 63463761 HFRXYYFSHPZOAJ-INIZCTEOSA-N 332.448 1.476 0 40 EDAB COc1ccc(C(=O)N2CCCS(=O)(=O)CC2)cc1OC(F)F 69841757 BDVZEISQNNJFMU-UHFFFAOYSA-N 349.355 1.557 0 40 EDAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NCc3ccccc3Cl)[C@H]3CO[C@@H]2O3)c1 952844904 RXLPYBOFPHTMTA-OVYGPGRDSA-N 349.818 1.660 0 40 EDAB biogenic,in-vitro C/C=C/C=C/C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 71888942 MOBFDJVHHFGETI-TWTPFVCWSA-N 333.476 1.912 0 40 EDAB NC(=O)CC1CCN(C(=O)Nc2cccnc2-n2cccn2)CC1 48194149 WPKHMMQYBWMJOA-UHFFFAOYSA-N 328.376 1.387 0 40 EDAB Cc1nn(CC(=O)N2CCN(Cc3ccccn3)CC2)c(C)c1Cl 57444142 CFZFWIUDEODHMX-UHFFFAOYSA-N 347.850 1.893 0 40 EDAB CCOc1c(OC)cc(CNC(=O)NCCn2ccnc2)cc1OC 50110441 DOVHLRJYABHNBR-UHFFFAOYSA-N 348.403 1.798 0 40 EDAB CC(C)N(CC(N)=O)CC(=O)NCCc1cccc(Cl)c1Cl 51966784 DYULOKOXZOXMSY-UHFFFAOYSA-N 346.258 1.848 0 40 EDAB CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cnn(C(C)C)c1 72300167 ZMCJMYWBYXOSQJ-ZIAGYGMSSA-N 326.466 1.711 0 40 EDAB O=c1c2ccccc2ncn1CC1CCN(CCn2ccnn2)CC1 1776008114 ZGPZALNQEKLIBD-UHFFFAOYSA-N 338.415 1.400 0 40 EDAB O=c1cc2c(nn1C1CCN(c3ncc(F)cn3)CC1)CCCC2 1776009220 WBXXTHCTUSPJMU-UHFFFAOYSA-N 329.379 1.893 0 40 EDAB CCCc1cc(NC(=O)NC2CCN(C[C@H]3CCOC3)CC2)n(C)n1 91094613 YDHZGIRFZRHNHG-CQSZACIVSA-N 349.479 1.995 0 40 EDAB CCN(CCCNC(=O)Nc1c(C)noc1C1CC1)S(C)(=O)=O 95942294 SIAZGYUMKSKZLH-UHFFFAOYSA-N 344.437 1.654 0 40 EDAB O=S(=O)(NCCn1nc(-c2ccncc2)cc1C1CC1)C1CC1 96121676 RDZCNCIQQZSBOP-UHFFFAOYSA-N 332.429 1.904 0 40 EDAB NS(=O)(=O)CC1CCN(c2cncc(Br)c2)CC1 80679724 JHGXVSLVECHAIA-UHFFFAOYSA-N 334.239 1.349 0 40 EDAB CCc1c(Cl)nc(C)nc1N1CCN(C(=O)c2cnccn2)CC1 95403149 APAUWLNCRBQUOV-UHFFFAOYSA-N 346.822 1.753 0 40 EDAB O=C(O)CN1CCCN(c2nccc(Oc3ccccc3)n2)CC1 514606378 UWSJMLGUSNZJPN-UHFFFAOYSA-N 328.372 1.866 0 40 EDAB Cc1cc(C(F)(F)F)nc(N2CCN(Cc3nc(C)no3)CC2)n1 680371559 IMJYWKIHOVBNNH-UHFFFAOYSA-N 342.325 1.817 0 40 EDAB O=C1NC(=S)N/C1=C/c1ccc(I)cc1 439338 BLLGLUHYCLXMBG-VMPITWQZSA-N 330.150 1.636 0 40 EDAB O=S(=O)(NCc1ccccc1Cn1cccn1)[C@H]1CCC[C@@H]1O 1615205903 LLLACISJAVORBW-HOTGVXAUSA-N 335.429 1.264 0 40 EDAB CC1(C)CC2(CCN(C3CCOCC3)CC2)CN1S(C)(=O)=O 1615190925 DJKSHFGPOVBXNE-UHFFFAOYSA-N 330.494 1.692 0 40 EDAB NC(=O)C1[C@H](c2ccc(O)cc2)C(C(=O)O)[C@H]1c1ccc(O)cc1 1772591405 VWJPPBYVFVIWFP-FXQLRMTLSA-N 327.336 1.781 0 40 EDAB COC[C@@H](C)NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 13608643 YHARGUSHGMPAAO-KGLIPLIRSA-N 342.461 1.609 0 40 EDAB COc1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)cn1 19748447 NDSUMXNSHBSVOA-UHFFFAOYSA-N 331.416 1.955 0 40 EDAB COc1cncc(O[C@H]2CCCN(C(=O)c3csc(C)n3)C2)n1 225496843 RIPIKWDOPZMDPN-NSHDSACASA-N 334.401 1.934 0 40 EDAB C[C@](O)(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)C1CC1 225619181 UKDAHQVRBZJMNQ-INIZCTEOSA-N 325.430 1.300 0 40 EDAB Cc1cccc(OCC(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 10928663 FXWKODWOLCVSMO-UHFFFAOYSA-N 325.324 1.542 0 40 EDAB Cc1cc(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)no1 1888844316 BRRLAKHLNMKPSH-UHFFFAOYSA-N 329.360 1.203 0 40 EDAB Cc1cc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)ncn1 1888897210 QKLLVGMDYJHJCO-UHFFFAOYSA-N 336.403 1.586 0 40 EDAB Cn1cnc2ncnc(N3CCN(c4ccnc(C5CC5)n4)CC3)c21 1888897215 SHGHULCSYYFWMY-UHFFFAOYSA-N 336.403 1.357 0 40 EDAB NC(=O)c1ccc(Nc2ncnc3c2ncn3C[C@H]2CCCO2)cc1 1888906786 YMODTXINRPIYDQ-CYBMUJFWSA-N 338.371 1.848 0 40 EDAB O=C1[C@@H](N2CC(Cn3cc(Br)cn3)C2)CCN1C1CC1 1889062019 JRPBXOGTROWDMA-ZDUSSCGKSA-N 339.237 1.341 0 40 EDAB NC(=O)c1cc(OC2CN(Cc3ccnc4ccccc34)C2)ccn1 1889201631 OXXLFYMMCVXWLH-UHFFFAOYSA-N 334.379 1.992 0 40 EDAB Cc1cnc(C)c(OC2CCN(c3cc(N(C)C)ncn3)CC2)n1 2087126102 IPPCOVSHGVTXAH-UHFFFAOYSA-N 328.420 1.997 0 40 EDAB CN(C)CCOC[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)C1(F)CCC1 1565544697 QRRXLIRVAFDENN-SOUVJXGZSA-N 328.428 1.463 0 40 EDAB O=C(NCCn1nc(-c2cccnc2)ccc1=O)NCc1ccccc1 11744462 XYBCHSVZFJMWDF-UHFFFAOYSA-N 349.394 1.805 0 40 EDAB COc1cccc(CCNc2ccnc3c2c(=O)n(C)c(=O)n3C)c1 22767835 MNAHFKXWBVBJQB-UHFFFAOYSA-N 340.383 1.295 0 40 EDAB Cc1cc(NC(=O)C(=O)NCC2CCN(C3CCCC3)CC2)no1 23127377 BSNVPYYUZJRKIX-UHFFFAOYSA-N 334.420 1.692 0 40 EDAB O=C([C@H]1CCCN(c2ccn3nccc3n2)C1)N1CCSCC1 2086854469 FQHACUPGKQVHDJ-ZDUSSCGKSA-N 331.445 1.521 0 40 EDAB Cc1noc(-c2cccn3c(CNC(=O)Cn4cccc4)nnc23)n1 225748049 ICPGPHSDGZXSPX-UHFFFAOYSA-N 337.343 1.206 0 40 EDAB O=C(NOCc1ccccc1)N[C@@H]1CCCN(c2ncccn2)C1 50096818 GFICASLIUCIWMG-OAHLLOKOSA-N 327.388 1.876 0 40 EDAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1COCCO1)CC3 30848593 GEGUXVWWSMBEMK-INIZCTEOSA-N 344.367 1.255 0 40 EDAB CC(C)Oc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1Cl 40510497 QFANFOMTJRJQDV-UHFFFAOYSA-N 337.763 1.616 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)C1CCN(C(=O)C2CC2)CC1 101177177 JFGOWDBGBBZVLW-VGWMRTNUSA-N 348.443 1.339 0 40 EDAB CC(=O)N1CCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 20895026 MNFGWGSDZNAJJJ-UHFFFAOYSA-N 338.791 1.806 0 40 EDAB CN1C(=O)N(CC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)C12CCCCC2 101715586 BYGPLNJADXUEPM-KKUMJFAQSA-N 345.443 1.912 0 40 EDAB CC(=O)c1cc2c(cc1NC(=O)CCCN1C(=O)CCC1=O)OCO2 32932119 MCPNOQRSMTXXSS-UHFFFAOYSA-N 346.339 1.486 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)c1 32909231 BRTTUMUBELURQC-UHFFFAOYSA-N 336.457 1.983 0 40 EDAB CCO[C@@H]1C[C@@H](N(C)c2nc3c(cnn3C)c(=O)[nH]2)C12CCCC2 96453732 JYLLKRJDBYWWIA-CHWSQXEVSA-N 331.420 1.831 0 40 EDAB CCc1nc(CN(C)[C@H]2CCN(CCC(=O)N3CCCCC3)C2)no1 76047399 LCDOCHBORZEREN-HNNXBMFYSA-N 349.479 1.541 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(-n3cnnc3)c2)c1 33200639 BEKXKVVDIGLDEW-UHFFFAOYSA-N 342.380 1.923 0 40 EDAB CN1CCC[C@@H](N(C)C(=O)COc2ccc3ccc(=O)oc3c2)C1 76022266 DSMLBPCJDJRMNM-CQSZACIVSA-N 330.384 1.724 0 40 EDAB Cc1nc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)ccc1Br 78949528 KDKNNIQIDDAHAQ-VIFPVBQESA-N 347.234 1.916 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 22014664 FNTNADDVIBNHDO-CYBMUJFWSA-N 334.807 1.401 0 40 EDAB CN1CCN(CCNC(=O)Cc2ccc(C(F)(F)F)cc2)CC1 41845115 ZWTVSKJFUWZELI-UHFFFAOYSA-N 329.366 1.612 0 40 EDAB C[C@@H](O)CN[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 4280204 LAZAXTCLSFADDG-RDDDGLTNSA-N 335.187 1.746 0 40 EDAB O=C(NCCCCN1CCOCC1)c1ccccc1-n1cccn1 53450475 YQFSHHVVUDLGSJ-UHFFFAOYSA-N 328.416 1.715 0 40 EDAB COC(=O)CNC(=O)c1cccc(NC(=O)N[C@H]2CCC[C@H]2C)c1 69809073 KZHBAAIICHBOHB-RISCZKNCSA-N 333.388 1.900 0 40 EDAB CCc1ccc(CNC(=O)CN2CCN(CCOC)CC2)s1 69813359 FGCDWZANGCDVAH-UHFFFAOYSA-N 325.478 1.191 0 40 EDAB COCCN1CCN(CC(=O)Nc2ccnn2C2CCCC2)C[C@@H]1C 69849564 BIQGYAVILRAEAV-HNNXBMFYSA-N 349.479 1.589 0 40 EDAB CC[C@@H](CO)NCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 8326326 YFTSPNQWRUDPCG-AWEZNQCLSA-N 338.448 1.849 0 40 EDAB C[C@@H]1NC(=S)N([C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)C1=O 55179422 ZYKJYVGCWMSXEU-WDEREUQCSA-N 347.440 1.510 0 40 EDAB O=C([C@H]1CN(c2ncc(F)cn2)CC12CCOCC2)N1CC=CC1 107194716 FZOXCOPWEYXDOA-CQSZACIVSA-N 332.379 1.247 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2=COCCO2)cc1 3179712 RHZJAPQXWBZJHK-UHFFFAOYSA-N 340.401 1.544 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)nc(C)n1 71889654 PNORDLDXNKXWDK-OAHLLOKOSA-N 342.447 1.817 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Cn1nc3ccccn3c1=O)C2 105720313 OQGPJIYIMWMTFQ-LXIYXOSZSA-N 328.416 1.827 0 40 EDAB C[C@H](NC(N)=O)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 71886483 UABPHQGKMUJUSP-BBRMVZONSA-N 327.384 1.980 0 40 EDAB Cc1c(C(=O)N2CCCN(S(C)(=O)=O)CC2)oc2ccccc12 24775825 IBNDYSMMJCUVPT-UHFFFAOYSA-N 336.413 1.849 0 40 EDAB C[C@H]1CO[C@H](C)CN1CC(=O)NCC1(c2ccccc2)CCOCC1 106110171 SBDKRCDISDRMHT-DLBZAZTESA-N 346.471 1.960 0 40 EDAB COc1ccc(CC(=O)NCc2nnc3ccccn23)c(OC)c1 9549883 OTKFFSOKCWTMMF-UHFFFAOYSA-N 326.356 1.605 0 40 EDAB C[C@H](NC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccncc1 106566244 BXCFMGRHJXBOSH-XIRDDKMYSA-N 348.447 1.179 0 40 EDAB CNS(=O)(=O)c1csc(-c2nc(C(C)(C)NC(C)=O)no2)c1 176458733 FIGCYPFHKFAGIW-UHFFFAOYSA-N 344.418 1.077 0 40 EDAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1cc(C(N)=O)n(C)c1 55675340 MURGJBIBPBKMQF-UHFFFAOYSA-N 335.429 1.956 0 40 EDAB CC[C@@H]1CN([C@H](C(=O)NC2CC2)c2ccccc2)CCN1C[C@H](C)O 106868207 YLBUKMFVBZAUEX-IPELMVKDSA-N 345.487 1.783 0 40 EDAB COc1cc(F)ccc1NC(=O)Cn1nnc2ccccc2c1=O 25311458 WJBXROKBOQDJOS-UHFFFAOYSA-N 328.303 1.578 0 40 EDAB Cc1cc(=O)c(C(=O)O[C@H](C)C(=O)NC(C)C)nn1-c1ccccc1 25852171 STMUVAQTZRBKCN-CYBMUJFWSA-N 343.383 1.611 0 40 EDAB CCCCc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 57256195 QHOFJPCJTNGGMX-AWEZNQCLSA-N 345.443 1.762 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)N1CCCC[C@H]1[C@H](C)O 108137165 QBSIZWIPLFEVJN-FZMZJTMJSA-N 329.466 1.469 0 40 EDAB CCCn1cc(C(=O)OCC)c(S(=O)(=O)N2CCCCC2)n1 57478185 GTOKDCRDRHIOJC-UHFFFAOYSA-N 329.422 1.644 0 40 EDAB O=C([C@@H]1C[C@]2(CCCN(Cc3cccnc3)C2)CO1)N1CCOCC1 107230350 YVGUXBPMVKINTN-HKUYNNGSSA-N 345.443 1.312 0 40 EDAB COCCCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 48190524 JYSAXWFWUZOXJQ-MRVPVSSYSA-N 349.250 1.782 0 40 EDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 62119906 DTHQVZJGZFVSRT-QMMMGPOBSA-N 334.191 1.544 0 40 EDAB CCO[C@H]1CCCN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)C1 57836763 KAZFOWKBXQSADQ-ZDUSSCGKSA-N 344.415 1.710 0 40 EDAB CN1CCN(c2ccc(CNC(=O)NCc3cccs3)cn2)CC1 48234453 NSHAKSGWWDIINX-UHFFFAOYSA-N 345.472 1.894 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H]1CCS(=O)(=O)C1 44723494 CFLUWVBTQVRXLJ-CYBMUJFWSA-N 348.424 1.743 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1 58139658 PQQQLXLFOXEPBZ-HOCLYGCPSA-N 346.452 1.553 0 40 EDAB COCCN1CCNC(=O)[C@H]1c1c(C)nn(-c2ccccc2)c1C 44891762 BFBZOPMPLCUUNF-QGZVFWFLSA-N 328.416 1.608 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCN(c2cnccn2)CC1 27630815 XDMVPQPWEIXMRR-BZUAXINKSA-N 331.464 1.682 0 40 EDAB C[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)C(=O)NCc1ccco1 58290379 MXWZCIQHBWCGEO-LLVKDONJSA-N 339.392 1.315 0 40 EDAB Cn1cc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2Cl)cn1 58244487 QUQHTRXTEDQCSU-UHFFFAOYSA-N 333.728 1.712 0 40 EDAB CN(C)c1ncccc1CNC(=O)N1CCN(c2ccncc2)CC1 44969348 COZLNUTWIIEUMT-UHFFFAOYSA-N 340.431 1.574 0 40 EDAB CC(C)Oc1ccc([C@@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 44909349 HRDMICWPJQBTHF-GFCCVEGCSA-N 331.372 1.201 0 40 EDAB O[C@H](CN1CCOCC1)CN(Cc1ccc(F)cc1F)C1CC1 44974892 CKPNJKMHZSOFNB-MRXNPFEDSA-N 326.387 1.622 0 40 EDAB CN1CCC[C@@H](NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 58344711 JULDAZPWLZUYHX-LLVKDONJSA-N 345.852 1.536 0 40 EDAB NC(=O)c1ccc(COC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 28126900 ORYHBBCDIJZPMD-HNNXBMFYSA-N 340.383 1.535 0 40 EDAB CC(=O)NCCNC(=O)CSc1nc(C)c(C)n1C1CCCC1 12768179 MRMOEPKMVRJIGL-UHFFFAOYSA-N 338.477 1.959 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)c(C)c1 69977738 FNIPVXYPOVVOAJ-UONOGXRCSA-N 347.440 1.422 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)O[C@H](C(N)=O)c2ccccc2)cc1 12820650 JEJCHERWZDMOAM-HNNXBMFYSA-N 347.392 1.615 0 40 EDAB CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(-n3cncn3)nc2)C1 46196721 ONBJNPPEFFSMKW-CYBMUJFWSA-N 342.403 1.495 0 40 EDAB C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc(-n2ccnc2)cc1 29655540 MKZVFDWJNKKCCL-CYBMUJFWSA-N 341.415 1.840 0 40 EDAB CN1N=C(C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)CCC1=O 69918504 IEWWWCLPFRBINP-JTQLQIEISA-N 348.790 1.170 0 40 EDAB Cc1ccc(NC2CCN(C(=O)c3cccnc3N(C)C)CC2)nn1 69920717 AYUYFUNROJOJQN-UHFFFAOYSA-N 340.431 1.963 0 40 EDAB CC(=O)N[C@@H](C)C(=O)OC[C@@H]1CCCCN1C(=O)OC(C)(C)C 69949039 VLGNFOIEQGRTCL-AAEUAGOBSA-N 328.409 1.844 0 40 EDAB O=C(CNC(=O)Nc1ccc(F)cc1Br)NC1CC1 48452349 WQNRACOIKZDCDK-UHFFFAOYSA-N 330.157 1.988 0 40 EDAB Cc1c(CCC(=O)N2CCNC(=O)C2)c(=O)oc2c(C)c(O)ccc12 8765241 NITNABJELAFMES-UHFFFAOYSA-N 344.367 1.006 0 40 EDAB biogenic Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2)cc1 13015714 UMAZEDZDJJWMBN-UHFFFAOYSA-N 336.388 1.842 0 40 EDAB Cc1oc2ncn(CC(=O)N3CCC[C@@H](C)C3)c(=O)c2c1C(=O)O 13056277 UZPQCDDZGGAAEO-SECBINFHSA-N 333.344 1.255 0 40 EDAB CC(=O)N1CCN([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 22010076 OHXNMDRYWZWUNQ-LBPRGKRZSA-N 341.419 1.423 0 40 EDAB O=C(O)CCCNC(=O)Cn1nc(-c2ccccc2F)ccc1=O 49544439 XAXUTCCEFIIUSI-UHFFFAOYSA-N 333.319 1.030 0 40 EDAB O=S1(=O)CCN(C[C@@H]2CCCO2)c2c(F)nc(F)c(Cl)c21 13683681 LBLCMYOYPKYJAQ-ZETCQYMHSA-N 338.763 1.786 0 40 EDAB CCS(=O)(=O)CC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 64679939 VBNHXRPQNYKHLB-UHFFFAOYSA-N 344.458 1.489 0 40 EDAB CCCCn1c(S[C@@H](C)c2nc(N)nc(N(C)C)n2)n[nH]c1=O 8980791 ZGRZYFKETYNFLN-QMMMGPOBSA-N 338.441 1.058 0 40 EDAB COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1 5250986 DCNSGCAWQMNJLS-UHFFFAOYSA-N 342.351 1.721 0 40 EDAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)N2CCC[C@H](C)C2)nc1 65522506 CALPAASEXCEHEZ-ZDUSSCGKSA-N 340.449 1.237 0 40 EDAB CCOc1ccc(-c2noc(CN3CCCC[C@H]3C(N)=O)n2)cc1 65549021 SHTRZUCZMZJKNC-AWEZNQCLSA-N 330.388 1.975 0 40 EDAB CC(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)c2nccn2C)CC1 65607515 XMIPSMGCYNBLKX-INIZCTEOSA-N 341.415 1.383 0 40 EDAB O=C1CC[C@@H](C(=O)NCc2ccc(Br)cc2Cl)N1 66348959 SLQVRQPYEHAEOX-JTQLQIEISA-N 331.597 1.997 0 40 EDAB C[C@H](NC(=O)NCc1ccon1)[C@@H]1CN(Cc2ccccc2)CCO1 83233104 ABOBIZVFTWRAKM-YOEHRIQHSA-N 344.415 1.763 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 15323113 WYXQZQRAWRSYOF-NSHDSACASA-N 340.426 1.374 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)Cc1ccco1)C2=O 7521806 VVMXOTUUENCWGV-UHFFFAOYSA-N 348.403 1.243 0 40 EDAB COc1ccc([C@H]2CCCN2CC(=O)N2CCNC2=O)c(OC)c1 7740997 GBPZXIWKXXNKFZ-CQSZACIVSA-N 333.388 1.393 0 40 EDAB O=C1CN(C(=O)NCCCC(=O)N2CCCC2)c2ccccc2N1 9305706 OHVNQNXPRMIXCX-UHFFFAOYSA-N 330.388 1.557 0 40 EDAB CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccco2)CC1 306124898 CBSKUOPGUTYRHN-UHFFFAOYSA-N 343.431 1.849 0 40 EDAB C[C@H](Sc1ccc(F)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 16514111 FTXHJMQJPVRIFP-QMMMGPOBSA-N 337.376 1.169 0 40 EDAB CCS(=O)(=O)NC[C@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12 306127686 GEUIGSYDGRSSIS-IACUBPJLSA-N 330.475 1.134 0 40 EDAB Cc1cccc(NC(=O)C[C@@H](NCCCn2ccnc2)C(=O)O)c1 16740598 WTANPHCFQYLJGW-OAHLLOKOSA-N 330.388 1.653 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2Cc2cc(=O)n3nc(C)sc3n2)c1 70040691 CTVWCADFYNIHAL-AWEZNQCLSA-N 344.444 1.629 0 40 EDAB O=C([C@H]1CCCN1C(=O)c1ccnc(Cl)c1)N1CCSCC1 71898269 POBXEIVHPJCNIE-GFCCVEGCSA-N 339.848 1.915 0 40 EDAB Cc1nc2cc(NC(=O)Cn3nnc4ccccc4c3=O)ccc2o1 8369462 RLUDIKFGVRCVKC-UHFFFAOYSA-N 335.323 1.880 0 40 EDAB C[C@H](OCC1CC1)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 69415771 FOQBPWCWSMIMRJ-ZDUSSCGKSA-N 349.435 1.434 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@@H](C)n2cncn2)C1 69518718 AFYPZOVHVBRDTJ-YPMHNXCESA-N 349.822 1.896 0 40 EDAB O=C(C[C@@H]1CCCO1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69530882 BMMPXNQNIDIPJR-ZDUSSCGKSA-N 342.399 1.416 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)NCCC(=O)N(C)C)cc2)n1 69533147 CFYGRWUGGQIPQL-UHFFFAOYSA-N 328.416 1.756 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2nccnc2N)C1 69621778 ZLLPJZWQRTUNHS-LLVKDONJSA-N 347.806 1.730 0 40 EDAB Cc1cnn(C[C@H](C)NC[C@@H](O)c2ccc(S(C)(=O)=O)cc2)c1 69600117 RARNAEQDZJHMAK-XJKSGUPXSA-N 337.445 1.307 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)COCC(F)(F)F)CC1 69777957 OTYHTYIUIOFHHM-UHFFFAOYSA-N 348.369 1.516 0 40 EDAB CC(C)CCNS(=O)(=O)c1ccc(N2CCC[C@@H](CO)C2)nc1 69777083 WHHANWRMNHXPRK-CQSZACIVSA-N 341.477 1.615 0 40 EDAB COC(=O)CN1CCN(CC(=O)c2c[nH]c3ccc(OC)cc23)CC1 19940100 PWGVLUBICPHKME-UHFFFAOYSA-N 345.399 1.150 0 40 EDAB CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cn(C)cn2)C12CCCC2 71921020 UBUSUTWIMQCOTN-QWHCGFSZSA-N 327.450 1.778 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CC(=O)Nc3cc(C(C)C)no3)CCO2)n1 72300109 HRCSJHZEWMZYRS-LBPRGKRZSA-N 334.380 1.237 0 40 EDAB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCn2ccnc2C1 97201183 VVJNLBGHNHKREO-HIFRSBDPSA-N 326.400 1.727 0 40 EDAB Cc1cc(NC(=O)c2cccc(F)c2)n([C@H]2CCS(=O)(=O)C2)n1 84102030 DSIHIKNZIYAARU-ZDUSSCGKSA-N 337.376 1.943 0 40 EDAB COC(=O)CN1CCC(N[C@@H]2CCN(c3ncccc3F)C2)CC1 97085101 HZTQVSGBYTVHLW-CQSZACIVSA-N 336.411 1.026 0 40 EDAB O=C(c1ccc(OCC2CC2)nc1)N1CCC[C@H](n2cncn2)C1 72235090 BIYUTBALDVRQGP-HNNXBMFYSA-N 327.388 1.939 0 40 EDAB CN1CCN(c2cc(C(=O)N3CCO[C@H]4CCC[C@@H]43)ccn2)CC1 72281040 BNHQKEKNAFHKKW-HOTGVXAUSA-N 330.432 1.227 0 40 EDAB COCC(=O)N(C)[C@@](C)(C(=O)OC)c1ccc(Br)cc1 72292707 GUPKFCZECPNYAW-CQSZACIVSA-N 344.205 1.942 0 40 EDAB Cc1cnc([C@@H](C)CNC(=O)N[C@@H](C)CN2CCN(C)CC2)s1 97110254 PMZFEHKFHDGBBG-STQMWFEESA-N 339.509 1.490 0 40 EDAB C[C@@H]1OCC[C@H]1S(=O)(=O)N(CCN(C)C)Cc1cccc(F)c1 97166226 SCMOEVULZMVJKI-XJKSGUPXSA-N 344.452 1.697 0 40 EDAB C[C@H]1CN(C(=O)c2ccncc2I)[C@@H](C)CO1 95447110 NXQAMJZVFFQRPF-IUCAKERBSA-N 346.168 1.936 0 40 EDAB CN1CCC[C@@H](N2CCN(c3cc(NCC4CC4)ncn3)CC2)C1 95442061 WZHWHNICCQHTNA-MRXNPFEDSA-N 330.480 1.515 0 40 EDAB C[C@@H](C(=O)N1CCOC[C@H]1CC(=O)c1ccco1)c1cnn(C)c1 95439927 PXJHOANDHZEBNI-TZMCWYRMSA-N 331.372 1.617 0 40 EDAB O=C1[C@@H](Nc2nccn3cnnc23)CCN1c1cccc(Cl)c1 95408682 AZFMOWIOUIOXDG-LBPRGKRZSA-N 328.763 1.995 0 40 EDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCC(=O)NCC1CC1 95465802 KLRVCZMMASUCGE-CQSZACIVSA-N 337.445 1.145 0 40 EDAB COCCn1nnnc1CN1CCN(c2cc(C)ccc2C)CC1 20140209 OPPXDJYGLWNNHR-UHFFFAOYSA-N 330.436 1.259 0 40 EDAB COc1ccc2sc(C(=O)NCCCc3n[nH]c(=O)[nH]3)c(C)c2c1 75093030 GTGUJQCHSMPZDN-UHFFFAOYSA-N 346.412 1.992 0 40 EDAB CN(Cc1ncnn1C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 89741154 YVBAKNNRJJLXMJ-XJKSGUPXSA-N 345.378 1.132 0 40 EDAB CN1CCN(C)C2(CCN(C(=O)c3cccc4c3NCCC4)CC2)C1 67587385 DMIALNOGJCBDEE-UHFFFAOYSA-N 342.487 1.897 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1 22271114 HJTPFFKAKLBWQR-MRXNPFEDSA-N 348.424 1.460 0 40 EDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2ccc(CO)o2)C1 548018026 VBUFQISSVKKGAI-INIZCTEOSA-N 335.429 1.774 0 40 EDAB CC(=O)Nc1nnc(SCc2cc(=O)n3oc(C)cc3n2)s1 35426814 BOBADZCHMVIALX-UHFFFAOYSA-N 337.386 1.698 0 40 EDAB Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)Cc2cn3ccccc3n2)n1 518229005 OZEZRAHVDCERJB-BZNIZROVSA-N 341.371 1.557 0 40 EDAB Cc1noc([C@H]2C[C@H](O)CN2C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)n1 519071717 BRLFNFMVALUQHV-RYMFRWLXSA-N 348.403 1.153 0 40 EDAB O=C(O)c1ccc(CNC(=O)[C@@H]2COCCN2CC(F)(F)F)cc1 519400697 MTKGFTYXCSNXPP-LBPRGKRZSA-N 346.305 1.264 0 40 EDAB CCN1CCN(CCC(=O)N[C@H](CC(=O)OC)c2ccccc2)CC1 79335580 DNXXEHXQZPLHIQ-QGZVFWFLSA-N 347.459 1.435 0 40 EDAB Cc1nc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)c(=O)[nH]c1C 553962612 ZBJBOKDYWHWEPL-GFCCVEGCSA-N 330.363 1.535 0 40 EDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(Cl)nc1 6634395 WGXFGRBBUSEMKH-UHFFFAOYSA-N 339.760 1.691 0 40 EDAB O=C1N[C@@]2(CCCN(C(=O)c3cscn3)C2)Nc2ccccc21 72347527 DDQNAPTVESXPCZ-MRXNPFEDSA-N 328.397 1.931 0 40 EDAB CN(C)C(=O)c1nnn(-c2ccc(NC(=O)CC3CCCC3)cc2)n1 70999883 YYSSNMRYLBRISO-UHFFFAOYSA-N 342.403 1.883 0 40 EDAB C[C@@H](c1nnnn1C)N1CCN(Cc2ccc(F)cc2Cl)CC1 188657756 WSCOEJDMMMKFDF-NSHDSACASA-N 338.818 1.881 0 40 EDAB Cc1nc(/C=C2/SCCN2C(=O)CN(C)S(C)(=O)=O)cs1 225260295 MMUWWHCMACVIAA-WUXMJOGZSA-N 347.487 1.217 0 40 EDAB CC1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccs3)[C@H]2O)CC1 514288990 LWIVVWDGPSKWAE-KCQAQPDRSA-N 339.461 1.730 0 40 EDAB biogenic,in-vitro CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1)C2 96039545 VUDCCYSVOXEDQX-IEBWSBKVSA-N 347.459 1.671 0 40 EDAB COc1cc(N2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)ncn1 96159413 MCJATCHZDVKRLW-SFHVURJKSA-N 339.399 1.509 0 40 EDAB Cc1nnc(N2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)s1 96218116 AXBRTEDWWAHDLM-DOMZBBRYSA-N 337.449 1.105 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)C[C@H](Oc1ccccn1)CO2 96106975 GQUDPTVTPKSBAR-AWEZNQCLSA-N 340.383 1.714 0 40 EDAB CCc1cc(CNC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)on1 96421529 AXLVRMGMMUUZBW-OAHLLOKOSA-N 342.399 1.837 0 40 EDAB COC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)c1cccnc1)C2 96039127 DFOPDDCIEADWBR-HUUCEWRRSA-N 326.418 1.288 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N[C@H]3CCc4nc(C)cn4C3)ccc21 97198717 QTNSEFNAKUMGBS-INIZCTEOSA-N 338.411 1.845 0 40 EDAB COC[C@@]12CCO[C@@H]1CCN(S(=O)(=O)c1cccc(F)c1)C2 96110327 RVMINXPHKUFFJS-CABCVRRESA-N 329.393 1.642 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CCOCC1 97953708 RBZIJEXVOZMVJH-CGTJXYLNSA-N 348.443 1.840 0 40 EDAB Cn1ccnc1CN1CC[C@H]2[C@@H]1CCC(=O)N2Cc1cccnc1 96186343 IZEPMECKOPYFQI-HOTGVXAUSA-N 325.416 1.581 0 40 EDAB C[C@@]1(CNC(=O)N2CCCN(c3ccccc3)CC2)CCC(=O)N1 333599872 COAQXSSUSWXECZ-SFHVURJKSA-N 330.432 1.577 0 40 EDAB CNC(=O)[C@@H]1CC2(CCN(C(=O)[C@H]3CCOC3)CC2)c2ccccc21 96079302 OBYUWLIYACAWAT-GOEBONIOSA-N 342.439 1.817 0 40 EDAB CN1CC[C@@]2(COCCN(S(=O)(=O)c3cccc(F)c3)C2)C1 96201961 CFOFFHYBVCRBMI-OAHLLOKOSA-N 328.409 1.169 0 40 EDAB Cc1ccc(N[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]3CCCO[C@@H]32)nn1 97953515 LMZSXEUXJDJALL-JZXOWHBKSA-N 342.447 1.610 0 40 EDAB Cn1cc(N2CC3(CCN(Cc4ccccc4)CC3)OCC2=O)cn1 96159174 FOSQNKCVDWFDKQ-UHFFFAOYSA-N 340.427 1.818 0 40 EDAB CN1CCN([C@H]2COC3(CCN(C(=O)c4cccs4)CC3)C2)CC1 96048864 DWLCBVDTCHULEI-OAHLLOKOSA-N 349.500 1.759 0 40 EDAB CNS(=O)(=O)c1csc(C(=O)NCc2sccc2C)c1 96451199 RIOHGULVNDJILF-UHFFFAOYSA-N 330.456 1.956 0 40 EDAB c1cc(CN2CCOC[C@]3(C[C@H](CN4CCCC4)CO3)C2)ccn1 96052029 MDFLFNLRLXNNOU-MOPGFXCFSA-N 331.460 1.785 0 40 EDAB NC(=O)c1ccc(=O)n(CCCc2ccc(C(F)(F)F)cc2)n1 96452634 NIJOASQRMMISKQ-UHFFFAOYSA-N 325.290 1.994 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)S1 96443750 UDWIYUJIGIDPGK-LLVKDONJSA-N 345.428 1.919 0 40 EDAB O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 247423150 RTGNSFAFIUJZHC-MCIONIFRSA-N 335.356 1.395 0 40 EDAB O=S(=O)(NC[C@H]1CN(CC2CCCC2)Cc2ccnn21)C1CC1 247319834 LHGODIREACIOPY-HNNXBMFYSA-N 338.477 1.512 0 40 EDAB O=C(NC[C@H]1CCCO1)C1=NO[C@]2(CCN(Cc3ccsc3)C2)C1 247504181 QTZTVXFIAPWFHH-RHSMWYFYSA-N 349.456 1.764 0 40 EDAB CC(C)N1CC2(CN(C(=O)c3ccccc3)C[C@@H]3COCCN32)C1 604381769 NSUMKNQIMXPRKF-QGZVFWFLSA-N 329.444 1.306 0 40 EDAB biogenic,in-vitro Cc1cnn(CC(=O)NCc2cnc(C)nc2[C@H]2CCCN2C)c1 257332079 XVQXVFVILANIMZ-OAHLLOKOSA-N 328.420 1.373 0 40 EDAB CS(=O)(=O)c1ccc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 257209437 BQJAOKOJFXJYLH-HOTGVXAUSA-N 325.430 1.206 0 40 EDAB CN(C)Cc1cnc([C@@H]2CN(C(=O)c3ccccc3F)CCO2)[nH]1 257298991 ROFCCTBJRSLKMK-HNNXBMFYSA-N 332.379 1.824 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@@H](CCc3cc(C)ncn3)C2)cn1 257266695 MECBIQNAJOBNKS-KRWDZBQOSA-N 326.400 1.962 0 40 EDAB CC1(C)C[C@H](O)CCN(C(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)C1 585132138 OYAMANNYSHODSG-KFWWJZLASA-N 341.448 1.697 0 40 EDAB CCc1nnsc1C(=O)N1CCOC[C@H](Cc2ccncn2)C1 257205901 BBADYVGBVSZYNR-LLVKDONJSA-N 333.417 1.222 0 40 EDAB Cc1ocnc1C(=O)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 257244010 IJMCDIPRSXVAKC-MRXNPFEDSA-N 334.351 1.278 0 40 EDAB CC(C)n1nccc1CN1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1 257335285 YJMKRSMGBIKULL-IAGOWNOFSA-N 345.399 1.786 0 40 EDAB NS(=O)(=O)c1cccc(CNc2nccc(C(F)(F)F)n2)c1 24658601 LKVWJJBMUZDSCC-UHFFFAOYSA-N 332.307 1.755 0 40 EDAB COc1ccccc1OCC(=O)NC[C@@H](O)c1ccc2c(c1)CCO2 85559174 MURJECCPZMZFJY-OAHLLOKOSA-N 343.379 1.859 0 40 EDAB O=C(CCCn1nnc(-c2ccccc2)n1)N1CCC[C@H](CO)CC1 1615539753 KXICOOUPXUGDFT-HNNXBMFYSA-N 343.431 1.741 0 40 EDAB CCc1ncc(CN2CCN(C(C)=O)C3(CCOCC3)CC2)cn1 1615546591 AGKOAVXNKZIYFK-UHFFFAOYSA-N 332.448 1.642 0 40 EDAB COC(=O)C[C@H](C)S(=O)(=O)N[C@H](Cc1ccccc1)C1CC1 1615612848 CCCXHTLJMIZWQT-SWLSCSKDSA-N 325.430 1.879 0 40 EDAB CC[C@@H](C)Oc1cc(CNC(=O)N2CCO[C@@H](C(=O)O)C2)ccn1 666539982 CPWMUFYOARZCRW-DGCLKSJQSA-N 337.376 1.254 0 40 EDAB CO[C@]1(CC(=O)N2CCCc3ccccc32)COCCN(C(C)=O)C1 585280399 HRHQTWOZOYVBNO-IBGZPJMESA-N 346.427 1.620 0 40 EDAB COCCN1CC[C@@]2(CN(Cc3cn[nH]c3)CC(F)(F)C2)C1=O 585093274 NAGSWNCDVBNMPF-CQSZACIVSA-N 328.363 1.116 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2ccccc2)CC1 68634363 BTEDRJWIRSRIIU-LSDHHAIUSA-N 332.448 1.821 0 40 EDAB CCc1noc(CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 71794673 FYOXNWZFLFJVDS-AWEZNQCLSA-N 335.429 1.821 0 40 EDAB O=C(CCN1CCSC1=O)N1CCCN(C[C@@H]2CCCO2)CC1 46047107 DEYLIZQMVLZQAY-AWEZNQCLSA-N 341.477 1.259 0 40 EDAB CNc1ncc(CN2C[C@H](CN3CCOCC3)c3ccccc32)cn1 36740671 ZOCKZUFYOHBEPO-INIZCTEOSA-N 339.443 1.954 0 40 EDAB CCCNC(=O)CCCC(=O)OCCNc1ccc(Cl)nn1 72314118 SUNWSPPFPBGGAH-UHFFFAOYSA-N 328.800 1.782 0 40 EDAB C[C@@H](Sc1ccccn1)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 84976928 DNSNAZVKZQRRQS-CVEARBPZSA-N 348.516 1.801 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCCN([C@H]2CCSC2)CC1 1565521867 DNAFLMUVNMLOIT-YOEHRIQHSA-N 348.468 1.866 0 40 EDAB COc1ccc(Br)c(C(=O)O[C@H](C)C(=O)N(C)C)c1N 75146663 JHROTEIFYVQRJB-SSDOTTSWSA-N 345.193 1.673 0 40 EDAB COc1ccccc1OCCN(C)C(=O)NCc1cccc(OCCN2CCOCC2)c1 97374731 JCNRIENMLIZFNG-INIZCTEOSA-N 443.544 2.627 0 40 EDAB O=C(CN1CCC(O)(c2cccnc2)CC1)Nc1cccc(O)c1 12113217 BILIHWUVVKINNQ-UHFFFAOYSA-N 327.384 1.709 0 40 EDAB O=C(C1CCCC1)N1CCC[C@H](Cn2nnc(-c3cnccn3)n2)C1 12471513 NYXWNXYDHGPTBG-ZDUSSCGKSA-N 341.419 1.559 0 40 EDAB CS(=O)(=O)CC(=O)C1CCN(C(=O)c2ccccc2F)CC1 13567015 QGJWMWULBYFHEJ-UHFFFAOYSA-N 327.377 1.292 0 40 EDAB COc1cc2nc(NN)n(-c3ccccc3C)c(=O)c2cc1OC 15424587 AFJOHFZZZBXEEH-UHFFFAOYSA-N 326.356 1.997 0 40 EDAB COc1cccc(N2C[C@@H](NC(=O)COc3ccccn3)CC2=O)c1 19565779 NZVHCCIVCVBUTO-ZDUSSCGKSA-N 341.367 1.391 0 40 EDAB COCCC(=O)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19593080 BRUAMADODMIJHA-CYBMUJFWSA-N 328.372 1.184 0 40 EDAB CCc1ccc(S(=O)(=O)N[C@H](Cn2ccnn2)C(C)C)s1 575616101 JFXIVOSWXBPYLQ-GFCCVEGCSA-N 328.463 1.905 0 40 EDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)[C@@H]1CCCC[C@@H]1OC)CC2 583651180 GSZWQJASGSMBGN-MELADBBJSA-N 345.461 1.549 0 40 EDAB CCNC(=O)CN1CCN(Cc2nc(-c3cccs3)oc2C)CC1 29673309 DMZWPNMTZMMCNN-UHFFFAOYSA-N 348.472 1.965 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)N2CCc3sccc3C2)cc1 10464012 CWOFXWAOQMQREQ-UHFFFAOYSA-N 337.426 1.986 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(N)=O)c1 13019967 LFAWLPGFDAZSLV-UHFFFAOYSA-N 329.765 1.845 0 40 EDAB Cn1ccc(C(=O)N2C[C@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)n1 1888850272 HUHQOSOFTNRJQL-ZIAGYGMSSA-N 338.415 1.296 0 40 EDAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)C5CCC5)C[C@H]4C3)nn12 1888866740 BIUKEOMDVAQCTB-ZIAGYGMSSA-N 340.431 1.381 0 40 EDAB O=C(NCc1ccc(F)cc1)NCC1(O)CSCCSC1 1888876056 IWZHNQORBOZSFC-UHFFFAOYSA-N 330.450 1.836 0 40 EDAB O=S(=O)(N[C@H]1CCCN(c2nc3cnccc3s2)C1)C1CC1 1889119411 URCXFRLSUWCEHF-JTQLQIEISA-N 338.458 1.742 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 19898616 WASXVRSKFWQIIC-WDMOLILDSA-N 346.305 1.779 0 40 EDAB O=S(=O)(NCc1nc(-c2cccnc2O)no1)c1cccs1 238831325 FYUKRKNGZGSUPU-UHFFFAOYSA-N 338.370 1.377 0 40 EDAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCn2nccc2C1 238938818 VUIMFWHGQVMVOD-UHFFFAOYSA-N 347.318 1.986 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NCCCc1cc(C)no1 240067819 SCYYCCNFPDICPC-UHFFFAOYSA-N 344.414 1.742 0 40 EDAB COc1ccccc1C(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100073910 STZXXLDBIMRDTB-KUOHNODQSA-N 338.363 1.393 0 40 EDAB O=C(c1csnn1)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 1565554402 QGRQHMGKMMXRDD-INIZCTEOSA-N 346.387 1.946 0 40 EDAB O=C(C1CC(O)C1)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 1565548129 SMYDUTQDAQHBKA-JWRYVHENSA-N 332.400 1.128 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2ccc(F)cc2)C1 2055772360 BVCPGWSEGWEZCK-KRWDZBQOSA-N 330.363 1.400 0 40 EDAB O[C@@H]1CCN(Cc2noc3c2C[C@H](NCc2ccccc2)CC3)C1 2055730115 BHVYIQWKYDASQS-HZPDHXFCSA-N 327.428 1.888 0 40 EDAB CCC(CC)CN[C@H]1CCc2onc(CNS(C)(=O)=O)c2C1 2055729998 OMICTXQBVJTKPC-LBPRGKRZSA-N 329.466 1.607 0 40 EDAB COc1nn(C)cc1C(=O)N1CC(n2c(C)nc3ccccc32)C1 1775974568 JWQILJALIISIQY-UHFFFAOYSA-N 325.372 1.784 0 40 EDAB Fc1ccc(-c2ccc(N3CCN(Cc4nnco4)CC3)nn2)cc1 1775974572 KBOIGUQSIMPENK-UHFFFAOYSA-N 340.362 1.988 0 40 EDAB Cc1nn(CC(=O)NC2CCCC2)c(=O)c2c1cnn2C(C)(C)C 36665630 BGNYUSKHGGEMJK-UHFFFAOYSA-N 331.420 1.715 0 40 EDAB Cc1cc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)on1 575608131 DPQHZEMSDNNSQP-UHFFFAOYSA-N 325.332 1.034 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](Oc2ncccn2)C1 575610342 KJGOEXDQOGIEIK-ZDUSSCGKSA-N 349.412 1.636 0 40 EDAB O=S(=O)(c1c(F)cccc1F)N1CC[C@H](Oc2cnsn2)C1 618257238 SOKNCQBZPVPAIT-QMMMGPOBSA-N 347.368 1.658 0 40 EDAB CC(C)c1ccc(OCC(=O)NC[C@H](O)Cn2ccccc2=O)cc1 211127254 FFRBWLZHDAYRGY-INIZCTEOSA-N 344.411 1.528 0 40 EDAB O=C1CN(C2CCCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 63376286 RGXZDZTXWBDTMP-IRXDYDNUSA-N 348.468 1.834 0 40 EDAB CC[C@@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccccc1OC 40520761 RHPXJTPEZILNJM-TZMCWYRMSA-N 340.445 1.880 0 40 EDAB CN(CC(=O)N[C@@H]1CCCCNC1=O)Cc1nc2ccccc2s1 40513630 ZACPQNXVKCTVOR-CYBMUJFWSA-N 346.456 1.513 0 40 EDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)[C@H]1CCCO1 40509186 XSYDHIHXBBTPAD-OUCADQQQSA-N 346.383 1.452 0 40 EDAB Cn1ccs/c1=N\C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 102223450 JAJUJZXECQUPHS-PEZBUJJGSA-N 336.417 1.159 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)CCc2nc(Cc3ccccc3)no2)C1 46739107 ZCESCZFXDVVGCU-CQSZACIVSA-N 342.399 1.317 0 40 EDAB O=c1c(C(F)(F)F)cc(C2CC2)nn1Cc1nnnn1C1CC1 77557755 GZBJVJSKRAJSGC-UHFFFAOYSA-N 326.282 1.509 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)nn1C 77639297 PQXFUSKZJHUKGH-UHFFFAOYSA-N 326.400 1.256 0 40 EDAB CC(C)C[C@@H](C(=O)Nn1cnnc1)N1C(=O)c2ccccc2C1=O 544696 PYGXNZKCXFOZKY-ZDUSSCGKSA-N 327.344 1.059 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1(C)C 78942390 URUPGRHVGIKKSW-LSDHHAIUSA-N 336.436 1.705 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N1CCN([C@H]3CCOC3)CC1)C2 79103401 ISWIKBDJWKJEER-HOTGVXAUSA-N 346.427 1.179 0 40 EDAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1CN1CCN(c2ccccn2)CC1 103277736 DJXYMUWNFYHJHJ-GJZGRUSLSA-N 328.416 1.336 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C(=O)N3c4ccccc4[C@H]4OCC[C@H]4[C@H]3[C@]23C=C[C@H]1O3 4044184 ADBRMMHYTJFVFR-FWALRHFXSA-N 339.347 1.517 0 40 EDAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccnc(-n2cncn2)c1 53797269 MIDKCRQUTYFZNZ-UHFFFAOYSA-N 333.355 1.811 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)C(Cl)(Cl)Cl)n1 6593858 BZUKUVAIDXPWGK-UHFFFAOYSA-N 331.616 1.266 0 40 EDAB O=C1CCCN1C(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 7346284 YKSLUPPCQCWRKO-UHFFFAOYSA-N 346.412 1.055 0 40 EDAB Nc1cccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1 7468385 WLZIBQCSJSEVLX-UHFFFAOYSA-N 325.368 1.994 0 40 EDAB COCCCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475849 KSPDYIIJCXMHLX-UHFFFAOYSA-N 344.433 1.148 0 40 EDAB O=C(c1cnccn1)N1[C@H]2CC[C@H]1CC(O)(c1cccnc1F)C2 100142527 KOBLMFIGAAJBKT-RYUDHWBXSA-N 328.347 1.666 0 40 EDAB Cc1cc(NC(=O)CN2CCC(c3nnc4n3CCC4)CC2)on1 47258283 DPVDTTKKCRBJJG-UHFFFAOYSA-N 330.392 1.339 0 40 EDAB O=C(CSc1ccc(Cl)cc1)OCC(=O)N1CCNC1=O 24911248 OUTXSWSTMXVVSJ-UHFFFAOYSA-N 328.777 1.527 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)NCc2nnc3n2CCC3)c1 43387481 FEKWNVFUQIZFHJ-UHFFFAOYSA-N 329.360 1.641 0 40 EDAB Cc1ccc(-n2cnnn2)cc1NCc1cc(=O)n2ccccc2n1 55855870 YJAQUGDNZMQTAG-UHFFFAOYSA-N 333.355 1.591 0 40 EDAB COC(=O)c1oc(CN2CCN(Cc3cc(C)no3)CC2)cc1C 25931830 FKDUUTNCADMACU-UHFFFAOYSA-N 333.388 1.989 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccncc2)cc1C(N)=O 26755330 RDGYAUPSZUGXDG-JTQLQIEISA-N 335.385 1.229 0 40 EDAB COc1ccc(OS(=O)(=O)c2ccc(OC)c(C(N)=O)c2)cc1 26745758 QJBZRTHVKKCWBA-UHFFFAOYSA-N 337.353 1.570 0 40 EDAB Cc1cc(C)nc(SCC(=O)Nc2cccc(-n3cnnn3)c2)n1 27226769 GGYRDHZCCNSDCD-UHFFFAOYSA-N 341.400 1.800 0 40 EDAB COCCN(CCOC)C(=O)COC(=O)c1ccc(Cl)cc1 3251836 RMYWBJXAKQVJLI-UHFFFAOYSA-N 329.780 1.618 0 40 EDAB C[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3CS2(=O)=O)C1 58282598 ODMJLDHAGZDFMJ-LBPRGKRZSA-N 336.413 1.231 0 40 EDAB CC(=O)N1CCC(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 48020941 OPEWWLIFCYOFBX-LBPRGKRZSA-N 347.415 1.829 0 40 EDAB CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 2136092 HXDCWXMAGZNMCU-UHFFFAOYSA-N 328.390 1.219 0 40 EDAB O=C(NCc1ccc(N2CCC(CO)CC2)nc1)Nc1nncs1 44972374 BMKUSNWVBDSUJP-UHFFFAOYSA-N 348.432 1.464 0 40 EDAB C[C@@H](NC(=O)NC[C@@H](C)N1CCOCC1)c1ccc2c(c1)OCCO2 44951001 MXFGCBBFDJGIRN-ZIAGYGMSSA-N 349.431 1.539 0 40 EDAB CSc1nc(C(=O)NCCC(=O)N2CCOCC2)c2ccccn12 58305510 XWIIGOBGOOHYRT-UHFFFAOYSA-N 348.428 1.035 0 40 EDAB O=C(CCNC(=O)c1ccccc1)NCc1ccnc(-n2ccnc2)c1 58441454 YVLROBZEVKEBLK-UHFFFAOYSA-N 349.394 1.704 0 40 EDAB C[C@@H](OC(=O)CN(C)c1ncccn1)C(=O)Nc1ccc(Cl)cn1 23173950 VDRVJTQYUKSMBQ-SNVBAGLBSA-N 349.778 1.532 0 40 EDAB O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccccc1C(F)(F)F 28296041 DWAXEEIIGBTTFN-UHFFFAOYSA-N 327.262 1.584 0 40 EDAB CCOC(=O)N1CCN(CC(=O)NCc2ccccc2OC)CC1 36383673 FSALEKSYJIMHIZ-UHFFFAOYSA-N 335.404 1.086 0 40 EDAB CCN1CCN(CC(=O)Nc2ccc(N(CC)CC)cc2)C(=O)C1=O 58913005 ICXMLDWXQRGNSH-UHFFFAOYSA-N 346.431 1.162 0 40 EDAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cnccn1 12744530 VVDCGHUUJBHUBC-UHFFFAOYSA-N 329.385 1.827 0 40 EDAB O=C(CN1CCCCCC1=O)NCc1ccnc(-n2cccn2)c1 48332492 VNMNHTCUAQSSAR-UHFFFAOYSA-N 327.388 1.286 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)NCc1nncn1-c1ccccc1 48344991 OMOFEIADXPQTBM-CQSZACIVSA-N 329.404 1.835 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 12856504 JFPLZLVHTHUEMA-KSSFIOAISA-N 332.400 1.764 0 40 EDAB COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCC[C@@H](C)CC1 63282772 BQADKJUESNVYCK-LLVKDONJSA-N 326.418 1.747 0 40 EDAB OCCn1ncc2c(NCc3ccc(-n4ccnc4)nc3)ncnc21 97199776 OZINVKIPLSOSBN-UHFFFAOYSA-N 336.359 1.011 0 40 EDAB O=C(NCCN1CCN(C(=O)c2cccs2)CC1)c1cccs1 19596373 BOXSLRBGWLCOMK-UHFFFAOYSA-N 349.481 1.997 0 40 EDAB Cc1cnccc1N1CCCN(C(=O)c2cnn3ccn(C)c23)CC1 65380727 IQJUJIATWNZMJT-UHFFFAOYSA-N 338.415 1.729 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)NCCNC(=O)OC(C)(C)C)CC1 65406094 HOZJWLLAZFJEKQ-UHFFFAOYSA-N 342.440 1.021 0 40 EDAB CC(C)N1C(=O)C(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C1=O 6436060 WZFLUSBFBJCNPN-LLVKDONJSA-N 329.356 1.163 0 40 EDAB Cc1cccc2nc(Cn3cnc4cc(F)ccc4c3=O)cc(=O)n12 14170114 RCSSFXQOBCSUOR-UHFFFAOYSA-N 336.326 1.900 0 40 EDAB CCc1[nH]c(C(=O)OCC(=O)NC2CCCC2)c(C)c1C(=O)OC 14120813 AOGRFEAUQQWLLH-UHFFFAOYSA-N 336.388 1.888 0 40 EDAB CC(=O)N1CCCN(C[C@@H](O)COCc2ccccc2Cl)CC1 14238476 ICDNFPRPZMVINC-MRXNPFEDSA-N 340.851 1.772 0 40 EDAB CCN(C(=O)CSCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 66276009 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CC(C)OCCCNC(=O)CNC(=O)N1CCc2ccccc2C1 71893276 KWEQVUWDNXYPEK-UHFFFAOYSA-N 333.432 1.686 0 40 EDAB O=c1c2cnn([C@@H]3CCS(=O)(=O)C3)c2ncn1Cc1ccccc1 16849802 XJYKWQHFBAGRDK-CYBMUJFWSA-N 344.396 1.001 0 40 EDAB CCCCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 21874633 HZIBVEDGAIOLJL-AWEZNQCLSA-N 340.445 1.674 0 40 EDAB COc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CNC(N)=O)cc1OC 69487076 UPSSRCLPPIMMNN-RCQQVGEISA-N 347.415 1.766 0 40 EDAB CC(C)C[C@H](C)N(C)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 71920333 STPJBWJVIDTWKU-GJZGRUSLSA-N 326.485 1.650 0 40 EDAB C[C@@H]1CN(c2nc3ccccc3o2)CCN1c1ccc2nncn2n1 69564943 CEXQUGSTWXHFIX-GFCCVEGCSA-N 335.371 1.981 0 40 EDAB CCc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)o1 69652881 NEXGXBRSYQRTBC-UONOGXRCSA-N 340.445 1.223 0 40 EDAB Cc1nc2n(n1)C[C@@H](Nc1ncc(C(=O)N(C)C)cc1Cl)CC2 69699908 AMEPILGBSQCULL-NSHDSACASA-N 334.811 1.764 0 40 EDAB CCC(=O)N1CCN(C(=O)NCCOc2cc(C)cc(C)c2)CC1 69741765 CLHYKDJNIIPOBL-UHFFFAOYSA-N 333.432 1.946 0 40 EDAB COc1ccccc1CC(=O)N1CCCN(Cc2nccn2C)CC1 69740292 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40 EDAB CCc1nc(CN2CCC[C@H](NCC(=O)Nc3cc(C)on3)C2)no1 75133995 DKDGLMRRWFMMPJ-LBPRGKRZSA-N 348.407 1.121 0 40 EDAB Cc1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)c(=O)[nH]1 75121200 YHJYHUUWHLSEID-UHFFFAOYSA-N 327.388 1.241 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CN1CCO[C@H](Cn2cncn2)C1 75132057 PGMHLPSKKCDVKP-SJORKVTESA-N 346.431 1.036 0 40 EDAB CC(C)c1nnc2n1C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC3CC3)C1)CC2 65536248 SNQIHSJIGZDCJI-KGLIPLIRSA-N 345.447 1.091 0 40 EDAB CC(C)c1nsc(N2CCC(NC(=O)N3CCOCC3)CC2)n1 521398492 KDMVGCPWAPFAFQ-UHFFFAOYSA-N 339.465 1.672 0 40 EDAB NC(=O)c1ccc(NC(=O)C[C@H](c2ccsc2)n2cnnn2)cc1 524732501 KJKBVCLJZOBTSW-CYBMUJFWSA-N 342.384 1.452 0 40 EDAB COP(=O)(OC)[C@@H](NCCC(=O)OCc1ccccc1)C(=O)O 217038454 AJYHWWNVFJYYJP-CYBMUJFWSA-N 345.288 1.606 0 40 EDAB CN1CCN(C(=O)C2CCCC2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 72355174 CCGIHILYATWFMU-HNNXBMFYSA-N 345.491 1.666 0 40 EDAB CNC(=O)c1cc(C)nc([C@]2(C)CCCN2C(=O)c2coc(C)n2)n1 72388471 YRHRZEPDIYXJFZ-KRWDZBQOSA-N 343.387 1.592 0 40 EDAB CCOc1ccc(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)cc1 39975713 XQFKCRHCGPIMQC-UHFFFAOYSA-N 348.424 1.762 0 40 EDAB Cc1[nH]c2nc(C(=O)NCCN(C)C3CCCCC3)nn2c(=O)c1C 72391476 ITMYBKDVEKGSDF-UHFFFAOYSA-N 346.435 1.029 0 40 EDAB COc1cc(OC)cc(-n2ccc3c(nnc4nc(C)nn43)c2=O)c1 72260267 AWCGKTYLLSFEKS-UHFFFAOYSA-N 338.327 1.149 0 40 EDAB O=C(O)CC[C@@H]1NC(=O)N(c2ccc(Br)cc2)C1=O 218713145 LJXOWGHZQFEPOV-VIFPVBQESA-N 327.134 1.739 0 40 EDAB Cn1cnc(CCNC(=O)NCc2cc3ccccc3nc2O)c1 1564894398 HELCHWRHMUGKQS-UHFFFAOYSA-N 325.372 1.716 0 40 EDAB COC(=O)CN1CCO[C@H](COc2cccc(Br)c2)C1 217497416 UESZMPMQVHEAQR-ZDUSSCGKSA-N 344.205 1.702 0 40 EDAB CC(C)[C@H](N)C(=O)N(C)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79393267 SUBJWJLUZAOIBL-HOTGVXAUSA-N 333.432 1.839 0 40 EDAB Cc1cnc2cc(C(=O)N3CC[C@@H](CN4CCOCC4)C3)ccn12 565607299 HHUVDYGQSNLNBF-HNNXBMFYSA-N 328.416 1.437 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@]2(N)CN)cc1 218628054 AXBGAARAMWESOR-ULQDDVLXSA-N 334.416 1.730 0 40 EDAB CCCc1nc(C)c(C(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)o1 563262671 QBRUJABGWXNXKJ-ZDUSSCGKSA-N 346.431 1.720 0 40 EDAB O=C(CN1CCC[C@H](c2nccnc2-n2ccnc2)C1)N1CCCC1 72350551 JLURXSQXUFARSW-HNNXBMFYSA-N 340.431 1.464 0 40 EDAB C[C@]1(c2[nH]ncc2S(C)(=O)=O)CCCN(C(=O)c2ccncc2)C1 72388761 FGZNSWCMIKLLND-INIZCTEOSA-N 348.428 1.402 0 40 EDAB CN(C)CC1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 78394470 FCAPVTSKCBCYDM-MRXNPFEDSA-N 331.464 1.493 0 40 EDAB Cc1nn(CC(=O)O)c(C)c1[C@H]1COCCN1C(=O)OC(C)(C)C 217457824 UMDBNDZXADPZGU-GFCCVEGCSA-N 339.392 1.893 0 40 EDAB COc1cccc(CNC(=O)CN2CCC[C@@H](c3noc(C)n3)C2)c1 72279285 VUJVPLZUWWWJII-OAHLLOKOSA-N 344.415 1.882 0 40 EDAB CC1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)CC1 72241782 JVIWABBHHMQMQV-SJORKVTESA-N 334.391 1.983 0 40 EDAB CC[C@H](NC(=O)NC1Cc2ccccc2C1)C(=O)N1CCOCC1 186615971 QPEFUJIUUSAPJL-INIZCTEOSA-N 331.416 1.090 0 40 EDAB O=C(O)c1csc(CN2CCC[C@H]2Cn2cc(C3CC3)nn2)n1 569583192 KWTKVGCYYBSPLV-NSHDSACASA-N 333.417 1.975 0 40 EDAB O=C1[C@H](N2CCC[C@@H](OCCO)C2)CCN1c1cccc(Cl)c1 195535416 TUQJOEAXSMVSCQ-HZPDHXFCSA-N 338.835 1.919 0 40 EDAB O[C@@H](CN[C@@H]1CCCN(c2ncccn2)C1)COCc1ccco1 48279906 CCKKVXUURISJBL-CABCVRRESA-N 332.404 1.206 0 40 EDAB CC(C)N(C)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 225754948 SZRBXSPUWIXOPP-ZFWWWQNUSA-N 325.432 1.725 0 40 EDAB C[C@H](c1ccsc1)N1CCN(C(=O)N[C@@H]2CCN(C)C2=O)CC1 97378468 VGUQGOQMUIVCTI-TZMCWYRMSA-N 336.461 1.367 0 40 EDAB CCc1cnc(N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)nc1 96185612 SXWBIABYSCOLNU-PMPSAXMXSA-N 327.436 1.230 0 40 EDAB Cc1noc(C)c1CNC[C@H]1Cn2nnc(-c3cccnc3)c2CO1 96199230 SJGXTNIQRXSDRB-AWEZNQCLSA-N 340.387 1.634 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C3[C@@H]4CCC[C@@H]34)CC2)C1 230121006 CBVJQVLDKORVGS-YYIAUSFCSA-N 347.503 1.872 0 40 EDAB COCCN1C(=O)C2(CCN(C(=O)N(C)C)CC2)c2ccccc21 96241389 DBHFEHACASCKGS-UHFFFAOYSA-N 331.416 1.695 0 40 EDAB CN(C)C(=O)N1CCN(CCC(=O)NCc2ccc(F)cc2)CC1 96443276 NEOMNOMKSUYWBD-UHFFFAOYSA-N 336.411 1.131 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3ccncc3)Cc3nccn3C2)n1 96188706 LEWKDKSGKUZUQW-KRWDZBQOSA-N 337.431 1.819 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1nccn1C)C2 96230426 FGGOJKDXURDLDU-IBGZPJMESA-N 339.443 1.343 0 40 EDAB CN(C)CCOC[C@H]1CN(Cc2ccsc2)Cc2nnn(C)c21 96060658 HFTIDMJCJDDHPU-CQSZACIVSA-N 335.477 1.554 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC2)C[C@H](NC(=O)C(C)C)CO3)no1 96220660 DAOQRKDUPXKVCD-ZDUSSCGKSA-N 335.404 1.519 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(c3ncccn3)C[C@H]2O1)NCc1cccs1 96208226 ZUNAGDRQZDXJIS-KCQAQPDRSA-N 344.440 1.838 0 40 EDAB C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 583622979 CDDYXJLPQCRDGS-RFQIPJPRSA-N 336.436 1.530 0 40 EDAB CO[C@@H]1C[C@@H](c2nncn2C)N(Cc2cnc3c(C)cccn23)C1 583617652 XLKSGSYWKOIJAA-CABCVRRESA-N 326.404 1.733 0 40 EDAB COc1cc(N2CCC[C@]3(CCN(C(=O)[C@@H]4CCOC4)C3)C2)ncn1 96216594 JZEVHDYOAHXCHX-KDOFPFPSSA-N 346.431 1.341 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccnc2)[nH]n1 96245897 IUHXHKNJTUKHMK-GJZGRUSLSA-N 325.372 1.129 0 40 EDAB CCN1C(=O)[C@H]2CN(C(C)=O)C[C@H]2C12CCN(C(=O)CC(C)C)CC2 96143649 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YZGWYHYLPVAQBY-HDICACEKSA-N 336.501 1.875 0 40 EDAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)NC1CC(CO)(CO)C1 585128633 IWRHVSBZZVFZJQ-ZZXKWVIFSA-N 329.318 1.968 0 40 EDAB CN1CC[C@](NC(=O)OC(C)(C)C)(C(=O)NN2CCCCC2)C1 585107799 VYMFZSLPNYBRIB-MRXNPFEDSA-N 326.441 1.103 0 40 EDAB O=C(C1CCOCC1)N1CC2(C1)OCC[C@H]2COCc1cccnc1 247869174 PVPUZKDXXUIWHT-KRWDZBQOSA-N 346.427 1.642 0 40 EDAB COC(=O)[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)C[C@@]12CCOC2 585122202 QKNYTAGJEYVABT-ZSZQSSIHSA-N 346.427 1.203 0 40 EDAB Nc1nnc([C@H]2CCCN(CCC(=O)Nc3cccc(F)c3)C2)o1 585116322 QNOHKATYSQLESG-NSHDSACASA-N 333.367 1.999 0 40 EDAB O=C1CCCN1CC(=O)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257206214 BCLBFWKITUMDLB-UAGQMJEPSA-N 328.412 1.925 0 40 EDAB O=C(c1cnco1)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257300909 RWENNFKVWUBUBA-LBPRGKRZSA-N 327.344 1.049 0 40 EDAB CNc1cc(C)nc([C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)c1 257204435 AUPKSQSJJGHJSW-MRXNPFEDSA-N 348.428 1.589 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)NCc1cccnc1-n1cccn1 24590462 SHNGSUIJDHVYLY-UHFFFAOYSA-N 338.415 1.867 0 40 EDAB CCOC[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cncn21 253383381 LJJGAPREZHTPQA-HNNXBMFYSA-N 343.383 1.774 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C(=O)c3cccnc3)CCN2C)c1 257248485 JDVWMCSYCZALSC-QGZVFWFLSA-N 338.411 1.570 0 40 EDAB CCCn1nccc1-c1cnc(C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 257212873 CFGSBRIHQLDNNC-ZDUSSCGKSA-N 349.460 1.574 0 40 EDAB CC(C)n1nccc1CN1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257301639 RZFDIHKZXKZSRN-LBPRGKRZSA-N 337.449 1.580 0 40 EDAB Cc1cc(CNC(=O)[C@@H](C)c2ncccn2)nc(N2CCCC2)n1 1614608473 VDPLIQFDPRROKN-ZDUSSCGKSA-N 326.404 1.595 0 40 EDAB CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc(F)c2cccnc12 1615547557 JLTMXSVMWLKAPF-NSHDSACASA-N 346.362 1.144 0 40 EDAB CC(=O)N1CCN(C(=O)c2cc(C3CCOCC3)nn2C)C(C)(C)C1 1615613385 VOTKMVOODIXPPU-UHFFFAOYSA-N 348.447 1.397 0 40 EDAB C[C@H](NC(=O)NCc1ccnc(C(F)(F)F)c1)c1nnnn1C 1615614440 HJFVEPNTTCOPTC-ZETCQYMHSA-N 329.286 1.184 0 40 EDAB O=C(CO[C@@H]1CCOC2(C1)CN(C(=O)CC1CC1)C2)N1CCCC1 575405789 ULXVZXCFUOXJAH-OAHLLOKOSA-N 336.432 1.186 0 40 EDAB C[C@@H](NS(C)(=O)=O)C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 571832355 BLBWOUHQRFINMT-OIKLOGQESA-N 342.383 1.696 0 40 EDAB Cc1ccoc1C(=O)N1CC2(C[C@H](OCC(=O)N(C)C)CS2)C1 575404812 VEWXXKOQAIIPEK-LBPRGKRZSA-N 338.429 1.393 0 40 EDAB CCCS(=O)(=O)N1Cc2ccnn2[C@@H](CN2CCCCC2)C1 575404716 DGUDONGQQZUUPF-HNNXBMFYSA-N 326.466 1.466 0 40 EDAB Cc1cc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)on1 585288055 OQCKRAYMQNVPIY-YXJHDRRASA-N 328.368 1.743 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CCN(CC(=O)N(C)C)C3)C1 585112036 KITGDMYZQMTSRB-CHWSQXEVSA-N 348.447 1.239 0 40 EDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)NCc2c(C)cccc2Cl)[C@@H]1O 585280419 IIADTCMAHMAOQA-WQVCFCJDSA-N 338.835 1.882 0 40 EDAB O=C(N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1ccccn1)C1(F)CCC1 585105060 OMPVFPZGZQKWCC-CXAGYDPISA-N 347.390 1.317 0 40 EDAB CSCC(=O)N1CCn2cc(CC(=O)N3CC=CC3)nc2[C@H]1C 585098713 XUOGNVZOLWRQDJ-GFCCVEGCSA-N 334.445 1.090 0 40 EDAB COc1ccc(OC)c(CN2CCN(C(=O)c3cc(C)no3)CC2)c1 29985842 GZSXSVLYRYITGB-UHFFFAOYSA-N 345.399 1.958 0 40 EDAB COc1ccc(NC(=O)NCc2cccnc2)cc1-n1nnnc1C 71855053 KDUSRBRYAQTMHV-UHFFFAOYSA-N 339.359 1.696 0 40 EDAB CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(F)cc1 36689454 OTJSEANJWLVRIH-UHFFFAOYSA-N 328.287 1.125 0 40 EDAB Cc1ccc(CC(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)cc1 71916062 IYFKJRHWWUPVOE-UHFFFAOYSA-N 339.443 1.742 0 40 EDAB Cc1noc(Cl)c1CC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78789600 XEIXPDSWEFZEAU-OLZOCXBDSA-N 327.812 1.237 0 40 EDAB CN(CCn1cccn1)CC(=O)Nc1ccc(Br)cn1 69816720 HVXKTPMBLINMIW-UHFFFAOYSA-N 338.209 1.611 0 40 EDAB C[S@](=O)c1ccc(C(=O)NCc2nnc(S)n2C2CC2)cc1 109056094 MKFKTFIAFPKIBW-JOCHJYFZSA-N 336.442 1.569 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1cccc(F)c1 40493524 YYIWGGKNFQJPFO-BXUZGUMPSA-N 328.409 1.817 0 40 EDAB COC(=O)c1ccc(NC(=O)CN2C(=O)C3(CCCC3)N=C2O)cc1 5341727 WJKAXUARXACRQA-UHFFFAOYSA-N 345.355 1.481 0 40 EDAB COc1ccc(C(=O)N2CCC(O)(c3nccn3C)CC2)c(OC)c1 12114477 BKVLFWCFMJFXOK-UHFFFAOYSA-N 345.399 1.561 0 40 EDAB O=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)[C@H]1CCCO1 12326147 DAJHBMOQLNEMEZ-MRXNPFEDSA-N 336.407 1.404 0 40 EDAB COc1ccc(CNC(=O)C[C@H]2CSc3nccc(=O)n32)cc1 14031056 TVPXQYYWAVUMTA-LBPRGKRZSA-N 331.397 1.605 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCc1nc(N(C)C)ncc1-c1ccncc1 19495867 SNEYQXBWMAQRCD-OCCSQVGLSA-N 325.416 1.919 0 40 EDAB COCC(=O)N(C)Cc1nc(C)c2c(n1)N(CC1CC1)C(=O)CC2 19695604 CQWKLHZPRDIRBL-UHFFFAOYSA-N 332.404 1.079 0 40 EDAB O=C(NCCCn1nc2n(c1=O)CCCC2)NCc1ccccc1F 43075459 JKUYXRZLDMBQQK-UHFFFAOYSA-N 347.394 1.410 0 40 EDAB c1nc(N2CC[C@H](COc3ccc(C4CC4)nn3)C2)c2nc[nH]c2n1 1888888312 DWYBDPGSANZGQQ-NSHDSACASA-N 337.387 1.926 0 40 EDAB CC(C)N1CCO[C@H]2CN(C(=O)c3ncc(Cl)cn3)CC[C@@H]2C1 1565546164 WICZVZYAJVEPEB-OCCSQVGLSA-N 338.839 1.701 0 40 EDAB COCCN1CC2(CCN(C(=O)c3ncnc(C)c3C)CC2)CC1=O 1565544492 MBJALTSJSCDGJN-UHFFFAOYSA-N 346.431 1.195 0 40 EDAB CSc1nnc(C)c(=O)n1COC(=O)c1ccc(F)c(F)c1 4495788 WGDXVQKWOJTKFE-UHFFFAOYSA-N 327.312 1.761 0 40 EDAB Cc1cc(-c2noc(CNC(=O)c3ccc4nccnc4c3)n2)no1 575615975 IGJKDIWITDPJLD-UHFFFAOYSA-N 336.311 1.906 0 40 EDAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccc[n+]([O-])c1 575615080 BNNZCVVLVFMXNI-UHFFFAOYSA-N 338.314 1.926 0 40 EDAB CC(=O)Nc1cccc(C(=O)NCc2nc(-c3cc(C)on3)no2)c1 225812909 QWWQLJSQLCYJSK-UHFFFAOYSA-N 341.327 1.921 0 40 EDAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc[nH]c1=O 30173726 YZOWPJHVTUEDFS-CQSZACIVSA-N 327.340 1.745 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N3C[C@H](C)OC[C@H]3C)cnc12 40499039 QSMNMOVBGUCYIR-KGLIPLIRSA-N 329.400 1.731 0 40 EDAB CC(C)(CNC(=O)NC[C@H]1COc2ccccc2O1)N1CCOCC1 40477801 LWFNEDHJGPOYQA-AWEZNQCLSA-N 349.431 1.236 0 40 EDAB O=C(NCCNc1ncccn1)c1ccccc1OC[C@@H]1CCCO1 40513648 NQWAXXINQSKKNB-AWEZNQCLSA-N 342.399 1.876 0 40 EDAB O=S(=O)(N1CCCC1)N1CCN(c2nc3ccccc3o2)CC1 32779319 ATNGBBDYZZUNIO-UHFFFAOYSA-N 336.417 1.290 0 40 EDAB COc1ccc(CCNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102274961 DZNQYFLLWHLCOK-IYBDPMFKSA-N 342.395 1.305 0 40 EDAB CCCCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 32815749 GLEKRLMGTPLLCV-UHFFFAOYSA-N 344.433 1.611 0 40 EDAB Cc1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1 32912421 FZNGGCDZIXJUIP-SKDRFNHKSA-N 344.230 1.907 0 40 EDAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 46355534 OYMZNMNDUJWYMR-UHFFFAOYSA-N 346.368 1.480 0 40 EDAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCCN(C(N)=O)CC2)cc1 60363741 HBMYCYJKVPCMPA-CYBMUJFWSA-N 339.461 1.975 0 40 EDAB CC(C)(C)NC(=O)NC(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl 2660937 WWFCUTQHVGCWCP-LLVKDONJSA-N 325.192 1.738 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccs1 21974928 VAFDGUCUJVIUDO-UHFFFAOYSA-N 344.439 1.147 0 40 EDAB CCn1c(=O)n(CC(=O)N2C[C@H](C)[C@@H](N(C)C)C2)c2ccccc21 78895683 FOVYDPJZMUJNIZ-BBRMVZONSA-N 330.432 1.231 0 40 EDAB Cc1nccn1CCCC(=O)N1CCO[C@@H](c2nc(C(C)C)n[nH]2)C1 78889027 HJEQTEPIYHQENW-CQSZACIVSA-N 346.435 1.813 0 40 EDAB CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 78899182 PEAZQXDVQKPVOC-OCCSQVGLSA-N 340.445 1.465 0 40 EDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 6205722 RWCPFVXSYQIXPT-ZETCQYMHSA-N 325.217 1.796 0 40 EDAB COCCN1CCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@H]1C 69706755 CYVKQJBYCHLVFY-KDOFPFPSSA-N 349.450 1.798 0 40 EDAB CN(Cc1ccncc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 12148090 PQRLFJHCUWUNNH-UHFFFAOYSA-N 333.369 1.233 0 40 EDAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccc(C)n1C)C2=O 23575249 CGWKQTSOSRONFS-UHFFFAOYSA-N 339.395 1.944 0 40 EDAB NC(=O)C1CCN(CC(=O)NCCc2nc3ccccc3s2)CC1 23699813 RQWUJKYWRUDUPP-UHFFFAOYSA-N 346.456 1.152 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCCOc2ccc(F)cc21 54540284 DDYFZKUPEIYZSY-DGCLKSJQSA-N 342.392 1.526 0 40 EDAB CSCC[C@@H](NC(=O)c1nc(SC)ncc1Cl)C(=O)O 37431323 IYWCZTNTOZDUHB-SSDOTTSWSA-N 335.838 1.788 0 40 EDAB CCc1cccc(N2CCC(NC(=O)CN3CSCC3=O)CC2)c1 61560683 ZVLMUEOLMATSGU-UHFFFAOYSA-N 347.484 1.867 0 40 EDAB Cc1ccc(CCC(=O)NCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1 69700738 UDGQAIOVOIYJJI-GDBMZVCRSA-N 345.443 1.156 0 40 EDAB CSc1nc2[nH]c(CSc3nc(C)cc(C)n3)cc(=O)n2n1 9935994 ZRLWHGXCHDMTIH-UHFFFAOYSA-N 334.430 1.839 0 40 EDAB CNC(=O)COc1ccccc1CNC[C@@H]1CCCn2ccnc21 83881837 NOMWJWQEWLDRNF-HNNXBMFYSA-N 328.416 1.675 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2N(C)C)cc1 71913817 WKKVYNXAOXQVDK-UHFFFAOYSA-N 333.413 1.961 0 40 EDAB Cc1cccn2c(CN[C@H]3CCN(S(C)(=O)=O)C[C@H]3C)cnc12 106918537 CTUJAYZVKCJZBW-HIFRSBDPSA-N 336.461 1.402 0 40 EDAB c1cc(CN2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)ccn1 107739001 HDCCXLJQVUTURN-ZWKOTPCHSA-N 328.416 1.586 0 40 EDAB Cc1c(C)c2ccc(OCC(=O)N3CCNC3=O)c(C)c2oc1=O 61719068 MXIHZVTZIAXLPB-UHFFFAOYSA-N 330.340 1.649 0 40 EDAB biogenic C[C@@H]1CN(S(=O)(=O)CCN[C@H](C)c2cccs2)C[C@@H](C)O1 110686658 JAZUWCDMXSJQFU-JHJVBQTASA-N 332.491 1.838 0 40 EDAB Cc1ccccc1CNC(=O)CN1CCN(c2nccs2)CC1 35266959 NLKKIFNZONYVPK-UHFFFAOYSA-N 330.457 1.890 0 40 EDAB Cc1c(C(=O)N2CCC(C(N)=O)CC2)cnn1-c1ccccc1F 26221665 LCKUMWLPLMYWSY-UHFFFAOYSA-N 330.363 1.657 0 40 EDAB Cc1ccc2nc(CNc3ccc(-n4cnnn4)c(C)c3)cc(=O)n2c1 12521901 HQOIYCXVBCVYGX-UHFFFAOYSA-N 347.382 1.899 0 40 EDAB CO[C@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1ccc(C)c(F)c1)CCO2 107775323 JPCSOSOUMJCXRX-RBSFLKMASA-N 329.393 1.701 0 40 EDAB CCCOc1cccc(NCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 57888828 YOGQXBUNWIRGJI-AWEZNQCLSA-N 340.445 1.533 0 40 EDAB COc1ccccc1/C=C1\C(=O)Nc2ccc(S(N)(=O)=O)cc21 58159937 VAVQBYPKSXZHTI-JYRVWZFOSA-N 330.365 1.835 0 40 EDAB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)N1CCCC1 58195200 RQHMEZTVTBHFMH-HNNXBMFYSA-N 340.420 1.991 0 40 EDAB O=C(NC1CCN(C(=O)COC2CCCC2)CC1)c1cccnc1 58209442 AHRIETQSVRJNMH-UHFFFAOYSA-N 331.416 1.762 0 40 EDAB Cc1cccc(S(=O)(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)c1 58264865 HMKMFGUFGFLQBR-ZDUSSCGKSA-N 342.486 1.973 0 40 EDAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(Cl)c(N)c1 3290788 APBIKBYGXRTBJL-UHFFFAOYSA-N 327.768 1.703 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNC(=O)N(C)CC(N)=O)cc2)n1 44970157 UZJLQYXYNILREL-UHFFFAOYSA-N 329.404 1.158 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)[C@H](C)CO1 44909632 YFOOTIRCTYJTBX-MNOVXSKESA-N 338.791 1.701 0 40 EDAB CN(CCC(F)(F)F)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 58304949 ITFHKVDCFZDKGC-UHFFFAOYSA-N 349.334 1.762 0 40 EDAB O=C(CCc1ccccc1)N1CCN(C(=O)c2ccc[nH]c2=O)CC1 58304717 XRAMDOQNEVTBCO-UHFFFAOYSA-N 339.395 1.292 0 40 EDAB CCCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 58344016 LKEXBBWOXBSYJT-OAHLLOKOSA-N 347.459 1.297 0 40 EDAB CN(C)C(=O)C[C@@H](NC[C@@H]1CNc2ccnn2C1)c1ccccc1 58315940 FWAXMYURXZKOPT-GDBMZVCRSA-N 327.432 1.734 0 40 EDAB CCC[C@@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O 21981309 ODAIHABQVKJNIY-HPCHECBXSA-N 340.420 1.462 0 40 EDAB O=C1CC[C@@H](C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CN1 48158754 DCRFXKGECUXOPH-LLVKDONJSA-N 341.864 1.572 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NC[C@H]1CCCO1 48263646 ACJRUCYPZNERSC-TZMCWYRMSA-N 340.445 1.972 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 71792456 RZICRUABGJFFJA-SFHVURJKSA-N 343.427 1.712 0 40 EDAB CNC(=O)C1CCN([C@H](C)C(=O)Nc2cc(OC)cc(OC)c2)CC1 29163353 XWNGHUUIBQMWRE-GFCCVEGCSA-N 349.431 1.489 0 40 EDAB CC(=O)N1CCN(C(=O)NCc2ccc(-n3cccn3)cc2)CC1 48332635 DDNGEVOTQGYAET-UHFFFAOYSA-N 327.388 1.246 0 40 EDAB NC(=O)Nc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 3422117 YFXAEDAKRIYPDS-ZDUSSCGKSA-N 327.340 1.747 0 40 EDAB O=C(CCNC(=O)c1ccco1)Nc1ccccc1N1CCOCC1 3403103 OGSLNSGVZNJMOO-UHFFFAOYSA-N 343.383 1.875 0 40 EDAB CCn1c(SCC(=O)NC(=O)NC(C)C)nnc1-c1ccncc1 3501614 HXSWHLFTZUYOMN-UHFFFAOYSA-N 348.432 1.686 0 40 EDAB Cc1cnc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)s1 12932418 IHBXDRHQZINLDG-UHFFFAOYSA-N 330.369 1.484 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc2c(c1)OCO2 13097230 QNSFYSWEHNDYHI-UHFFFAOYSA-N 348.380 1.301 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)Nc3nc4ccccc4s3)cnc21 11327720 DHSCJDKQBCZASE-UHFFFAOYSA-N 340.368 1.378 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)[C@H](NC(C)=O)C1CCCC1)C2 69968387 PKFFHMCPDJGKEV-QGZVFWFLSA-N 345.447 1.488 0 40 EDAB CS(=O)(=O)NCCC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 63803227 WUSRXDFYRFVHHI-DZGCQCFKSA-N 344.408 1.101 0 40 EDAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(CCO)CC1 22440963 RZFAIKCBLNHNNW-WJFTUGDTSA-N 342.524 1.435 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 8777202 HYKXMDQHFHVESE-JTQLQIEISA-N 325.415 1.659 0 40 EDAB CCOc1cccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 65474286 MPQMHBXMCCTKFO-QGZVFWFLSA-N 345.443 1.640 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1 4476833 FRYFTMCNIQBKFC-QGZVFWFLSA-N 342.355 1.697 0 40 EDAB Cc1ccccc1[C@H](C)NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 14061044 KQBUAPMOXIXLGE-ZDUSSCGKSA-N 337.379 1.876 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCCN(c2ncccn2)C1 65589425 DIROEEXRSVPAKM-UONOGXRCSA-N 326.404 1.021 0 40 EDAB CCN(C[C@H]1CCOC1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C 65611099 KEUJYBOVQRPZGU-GFCCVEGCSA-N 338.433 1.324 0 40 EDAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(F)cccc1F 5517799 PEXQOFHMPWSCOB-CYBMUJFWSA-N 326.299 1.782 0 40 EDAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)C(C)C)c(=O)[nH]c1=O 9500098 VFPBFCJVKGRIHD-UHFFFAOYSA-N 348.403 1.701 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc(C)no1 6851865 DQFDTQFXHVPPGZ-UHFFFAOYSA-N 332.312 1.955 0 40 EDAB O=C(Cc1c(Cl)cccc1Cl)OCC(=O)N1CCOCC1 5859960 NJGGBMSTGJRWOF-UHFFFAOYSA-N 332.183 1.938 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)N=c2[nH]c3ccccc3[nH]2)c1 6916928 MAKRLSHFJHFWSG-UHFFFAOYSA-N 344.396 1.487 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)[nH]n1 96005322 YBZMWCLMUKUMCF-ZDUSSCGKSA-N 340.449 1.185 0 40 EDAB NC(=O)Cn1cc2c(n1)[C@@H](NC(=O)Nc1cccc(F)c1)CCC2 96002691 LIDBKYSWMHBLSB-ZDUSSCGKSA-N 331.351 1.707 0 40 EDAB CN(C)S(=O)(=O)CC(=O)NCC(C)(C)Cc1cccc(Cl)c1 96010560 DVCPXOGBCACWHB-UHFFFAOYSA-N 346.880 1.916 0 40 EDAB Cc1ccccc1Cc1noc(CN2C(=O)NC3(CCC3)C2=O)n1 80285528 UUUGJZCWSVEVRW-UHFFFAOYSA-N 326.356 1.943 0 40 EDAB O=C(OCCn1cccn1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 68508447 LEIBXAKJVBASHK-MRXNPFEDSA-N 339.395 1.968 0 40 EDAB C[C@H](OC(=O)CN1CSCC1=O)C(=O)Nc1ccc(F)cc1 8232039 LNSFFBOKVCELBA-VIFPVBQESA-N 326.349 1.229 0 40 EDAB O=C(CCN1CCO[C@H](Cn2cccn2)C1)N1CCc2ccccc21 69376254 QYPFTWLVDFUTLT-KRWDZBQOSA-N 340.427 1.563 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)NCCc1ccc(F)cc1 8312260 RCQOPKOEUITQCF-UHFFFAOYSA-N 331.372 1.956 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)/C=C/c2ccsc2)CC1 69444363 NDDIXBATZJMFAV-NHZBNJEXSA-N 333.457 1.702 0 40 EDAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)NC(C)(C)C)C2=O)cc1 8428402 USHCKXKNARYNJA-INIZCTEOSA-N 334.376 1.475 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cncn1)N1CCC(c2ccccc2)=N1 69595957 ZCMLLTWMZAVPJL-INIZCTEOSA-N 338.415 1.379 0 40 EDAB O=C(CNC(=O)c1ccc(Br)cc1)N[C@H]1CCC[C@H]1O 97096109 OIXMPKOPOZQMFK-NWDGAFQWSA-N 341.205 1.209 0 40 EDAB C[C@H]1CCCN(C(=O)CN[C@H](CS(C)(=O)=O)c2ccccc2)C1 97033661 CLFMVCQEXODMTI-GOEBONIOSA-N 338.473 1.620 0 40 EDAB CC(C)c1nc2cc(NC(=O)C(=O)NCCn3ccnc3)ccc2o1 72291021 YYYIJECAKGQGPD-UHFFFAOYSA-N 341.371 1.903 0 40 EDAB C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)OCCO2 72282404 FPFIGLCTHWMUGY-QWHCGFSZSA-N 338.429 1.315 0 40 EDAB Cc1noc2ncc(S(=O)(=O)N3C[C@H]4CCCN4C[C@@H]3C)cc12 72282358 ATGPEWWIOOKNIO-CMPLNLGQSA-N 336.417 1.388 0 40 EDAB O=C(c1ccc2c(c1)OCCCO2)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72268940 DMFOITHSYQDYLG-CVEARBPZSA-N 346.427 1.519 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c(=O)[nH]1 72277091 RZDGCOOBIVLMAF-SNVBAGLBSA-N 345.321 1.019 0 40 EDAB C[C@@H](NCc1nnc2n1CCCC2)C(=O)NCCc1cccs1 72299728 NQHLSELNBVJVLS-GFCCVEGCSA-N 333.461 1.513 0 40 EDAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCN(Cc2ccccn2)CC1 84610032 CONMUECNURSUMX-UHFFFAOYSA-N 338.411 1.217 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 84752973 JBQVZKSCARMUGG-ZWKOTPCHSA-N 329.444 1.778 0 40 EDAB CN(CC(C)(C)CN1CCOCC1)C(=O)CC1(O)CCCCC1 95434593 UXQNJVRXISEERC-UHFFFAOYSA-N 326.481 1.889 0 40 EDAB CNC(=O)c1cccc(C(=O)NCCCCn2c(C)cccc2=O)c1 95401863 FYDSKOWTOMMCNJ-UHFFFAOYSA-N 341.411 1.727 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)[C@@H](O)c1ccc(F)c(F)c1 95433357 GKUDCDIONFDREU-WPPNPWJKSA-N 346.355 1.970 0 40 EDAB Cc1nc(C)c(C(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)o1 95979491 RLYZSJWRDHGSKC-SNVBAGLBSA-N 345.363 1.977 0 40 EDAB COC(=O)CN1CCC(NC[C@H](c2cccc(F)c2)N(C)C)CC1 95986430 BCHHYYZQGDEPDX-QGZVFWFLSA-N 337.439 1.655 0 40 EDAB CN1C[C@H](C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)CC1=O 89374878 AEPKZRBEWLDRKA-LLVKDONJSA-N 338.791 1.596 0 40 EDAB CC(C)c1cc(C(=O)Nc2cccc(C(=O)NCC(=O)O)c2)nn1C 89893342 UGSZTCNTGIFSJL-UHFFFAOYSA-N 344.371 1.610 0 40 EDAB CC1CCN(C(=O)CN[C@](C)(C(N)=O)c2cccc(Cl)c2)CC1 89929942 ADSXXRQKPWFNCA-KRWDZBQOSA-N 337.851 1.889 0 40 EDAB CCn1c(=O)n(CC(=O)N[C@H](C)Cn2ccnc2)c2ccccc21 42532388 MOSNOIKTDHBBIT-CYBMUJFWSA-N 327.388 1.224 0 40 EDAB CC(=O)NCCCc1ccc(C(=O)COC(=O)c2cnccn2)cc1 25379219 IQKRFIZAPMTQEU-UHFFFAOYSA-N 341.367 1.585 0 40 EDAB O=C(CN1CSCC1=O)NCc1ccc(CN2CCCC2)cc1 24389842 JTTWIDBKTBXCNB-UHFFFAOYSA-N 333.457 1.432 0 40 EDAB CC(=O)N1CCC[C@@](O)(CN2CCC(c3nc(C)no3)CC2)CC1 72367443 CYIXQUJGGCGUNN-KRWDZBQOSA-N 336.436 1.321 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CN1CCCNC1=O 77140393 DHSFPXXLDJTSOQ-INIZCTEOSA-N 344.459 1.525 0 40 EDAB Cc1nnnn1-c1ccc(F)c(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1 78666535 LLPNZLSQFNJACH-MFKMUULPSA-N 349.366 1.632 0 40 EDAB O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@H](Oc2cnsn2)C1 675008086 XNADETKJHVKIGO-SNVBAGLBSA-N 343.364 1.938 0 40 EDAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(OCC)cc2)n1 33636397 YVDQTNWJWUYOJN-UHFFFAOYSA-N 348.432 1.999 0 40 EDAB COc1ncc(-c2cc(NCC(=O)O)nc3[nH]ccc23)c(OC)n1 72167589 LBNYUICBAHGFRR-UHFFFAOYSA-N 329.316 1.534 0 40 EDAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)COC 217528978 KSEPVTOZSFSYFZ-LLVKDONJSA-N 344.433 1.910 0 40 EDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)/C=C\c1ccccc1 71980049 CIVYHIHMVGPZMZ-LZNQSLFOSA-N 330.384 1.434 0 40 EDAB Cn1cnnc1CCNC(=O)COc1ccc(C(F)(F)F)cc1 79001209 HJMNPDDPGXGWGX-UHFFFAOYSA-N 328.294 1.572 0 40 EDAB C[C@@H](CNc1nc(N(C)C)nc2c1CCNC2)Oc1cccnc1 71552193 ISXZXEWARJOEOK-LBPRGKRZSA-N 328.420 1.463 0 40 EDAB CCOCCCNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 40498112 URKDTTQYQZBFNW-UHFFFAOYSA-N 348.447 1.379 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1 226747193 MTVZHIJPWNZRBC-QGZVFWFLSA-N 335.379 1.740 0 40 EDAB Cc1cc(N2CCOCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225909458 SBVMFQVZXSCPBN-LBPRGKRZSA-N 337.449 1.087 0 40 EDAB Cc1cc2c(c(=O)[nH]1)[C@H](c1cc3ccccc3n(C)c1=O)CC(=O)O2 85877551 MIWBEPLPSCVVGR-LBPRGKRZSA-N 336.347 1.976 0 40 EDAB biogenic Cc1nnsc1C(=O)N1CCN(CC(=O)c2cccs2)CC1 44214075 MKRHOILAFMIPIC-UHFFFAOYSA-N 336.442 1.549 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccnc2)cc1C 226686034 HKRRIHGJWKPHSD-UHFFFAOYSA-N 335.385 1.316 0 40 EDAB CCN(CC(=O)O)C1CCN(C(=O)[C@H]2OCCc3ccccc32)CC1 572960465 AQFSRCQMBDGYKL-SFHVURJKSA-N 346.427 1.698 0 40 EDAB Cc1ccc(CN2C[C@H]3CN(C(=O)c4ccno4)CCN3C2=O)cc1 85436113 UKZQWDJNWFOXDC-OAHLLOKOSA-N 340.383 1.745 0 40 EDAB biogenic,in-vitro O=C(N1CCCC1)N1CCOC[C@]2(CCN(C3CCOCC3)C2)C1 96062346 SOHZMHZMLUBRGI-SFHVURJKSA-N 337.464 1.406 0 40 EDAB CS(=O)(=O)N[C@H]1COCCC12CCN(Cc1ccco1)CC2 96215213 DNPFXSIYLONCIW-AWEZNQCLSA-N 328.434 1.200 0 40 EDAB O=C1[C@@H]2CCN(CC3CCC3)C[C@@H]2OCCN1Cc1ccncc1 96107108 KNVKCOUBJRCBON-MSOLQXFVSA-N 329.444 1.931 0 40 EDAB Cc1ccnc(OC[C@]23COC[C@H]2CN(CC2CCOCC2)C3)n1 96111019 XKLIYKOOFDQBHC-AEFFLSMTSA-N 333.432 1.539 0 40 EDAB CCS(=O)(=O)N1CC[C@@]2(CCN(C(=O)c3cscn3)C2)C1 96071099 KUHYRSYNKWNJPO-CYBMUJFWSA-N 329.447 1.031 0 40 EDAB CC1=CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)C1 583650807 BRDKLQUTTNZCTQ-ZDUSSCGKSA-N 330.450 1.689 0 40 EDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3cc(C)ccn3)[C@@H]2C1 96111067 LITFWIMKQFIGEQ-UAGQMJEPSA-N 333.432 1.198 0 40 EDAB Cn1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CNC(=O)c3ccco3)C2)cn1 96185312 MVOJKVZZKZJXQW-INMHGKMJSA-N 344.415 1.280 0 40 EDAB COc1ccc([C@@H](C)NC(=O)Cn2cc(C(=O)O)ccc2=O)cc1 95470254 VBSXDRAZBHWJHZ-LLVKDONJSA-N 330.340 1.433 0 40 EDAB CNC(=O)c1cc2c(nc1N(C)C)CCN(C(=O)NCC(C)C)CC2 96260330 OVPVURREJXEHOV-UHFFFAOYSA-N 347.463 1.273 0 40 EDAB Cc1nc(CN2CC[C@@]3(CCN(C(=O)[C@@H]4CCOC4)C3)C2=O)cs1 96159471 UWRYFZDSNCFHRH-DYVFJYSZSA-N 349.456 1.439 0 40 EDAB CCOC(=O)[C@]12CCCN(S(=O)(=O)CC)C[C@H]1CN(C(C)C)C2 96055922 KTJYNBGCKNMWIN-ZBFHGGJFSA-N 346.493 1.322 0 40 EDAB O=C([C@@H]1CN(Cc2ccco2)CC12CCOCC2)N1CCOCC1 96052204 PVDIXZMUMGCBEP-INIZCTEOSA-N 334.416 1.367 0 40 EDAB Cc1occc1C(=O)N1Cc2nccn2C[C@H](CN2CCCC2=O)C1 96188440 JDHSSEDDZHMVQO-CQSZACIVSA-N 342.399 1.679 0 40 EDAB CNC(=O)CN1CCOC[C@]2(CCCN(Cc3ccc(C)o3)C2)C1 96049484 AAPMMTTZKFNIQT-SFHVURJKSA-N 335.448 1.248 0 40 EDAB CCOCC(=O)N1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96106928 WCAUYMIVRASTSK-INIZCTEOSA-N 334.416 1.785 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@]12CCN(c1ccsc1)C2=O 96201801 KOYSZJPKCVXYFL-IIYDPXPESA-N 334.441 1.986 0 40 EDAB Cc1ncc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cn1 247930145 CFLOKSBTWRUUSU-HKUYNNGSSA-N 344.459 1.636 0 40 EDAB O=C(NCc1ccc(CO)cc1)[C@H]1CN(c2ccc(F)cc2)CCN1 257284900 PETWIRQQWOIAQT-GOSISDBHSA-N 343.402 1.413 0 40 EDAB CO[C@H]1COCC[C@H]1N1CCN(C(=O)c2c(C)cccc2C)CC1 585088018 HGMQNVPXGOZCLH-SJORKVTESA-N 332.444 1.865 0 40 EDAB CN1C(=O)CO[C@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC[C@@H]21 257269662 MQVMHYAPOZSCDJ-HOTGVXAUSA-N 345.374 1.769 0 40 EDAB CN(C)[C@H]1[C@H](NC(=O)c2cnco2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257258415 KTTLARMBFQYTPJ-VDERGJSUSA-N 349.362 1.055 0 40 EDAB Cc1cc(NC(=O)CN2CCNC(=O)C2)cnc1N1CCCC[C@H]1C 585129355 GUNFOVWLVXGUBN-CQSZACIVSA-N 345.447 1.139 0 40 EDAB CNC(=O)c1ccc(NS(=O)(=O)c2cc(C)sc2C)nn1 585129216 BXAJOXGJEOKRHT-UHFFFAOYSA-N 326.403 1.315 0 40 EDAB CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1O 257256430 KLLOARARVKTEJY-IAGOWNOFSA-N 329.375 1.538 0 40 EDAB COCCN1C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]1c1ccccc1OC 257260715 LEAHWMJONUFKFD-PBHICJAKSA-N 334.416 1.710 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(CC3(O)CCOCC3)CCO2)n1 257241036 HWJDEBQZEQWXIZ-QGZVFWFLSA-N 335.448 1.371 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@H](O)c1ccc2c(ccn2C)c1 252498518 RDWKCZCVZDGQNH-HNNXBMFYSA-N 328.372 1.384 0 40 EDAB CCCCc1nc(CN2[C@H]3CCN(C(C)=O)C[C@@H]3C[C@]2(C)CO)c[nH]1 257238855 HMVDIWIQWLCXRS-VDZJLULYSA-N 348.491 1.946 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cncn1)NC1C2CC3CC(C2)CC1C3 591893716 BGXOHBPYELDYPM-MGMWPHTOSA-N 343.475 1.683 0 40 EDAB C[C@@H](NCC1(O)CN(C(=O)OC(C)(C)C)C1)C1CCN(C)CC1 1615056374 JVBAGHCPAOQVJZ-CYBMUJFWSA-N 327.469 1.288 0 40 EDAB CC(C)c1nnc(COC2CN(C(=O)[C@@H](O)Cc3ccccc3)C2)o1 606445831 SWSCGTXYXJDINM-HNNXBMFYSA-N 345.399 1.524 0 40 EDAB CC[C@@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 575424954 WIDUOKJTFITTKL-OLZOCXBDSA-N 331.459 1.663 0 40 EDAB C[C@H]1CC[C@@H](NC(=O)NCc2cnn3ccccc23)CS1(=O)=O 664877837 KFFSHAKXIODBNG-WCQYABFASA-N 336.417 1.099 0 40 EDAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)c3cn(C)cn3)[C@H]2O)cc1 585285690 QLLAYGKHJPHHHG-KBRIMQKVSA-N 329.400 1.677 0 40 EDAB COCCN1C[C@]2(COCCN([C@@H](C)c3ccccc3)C2)CC1=O 585104424 MZFKRZPBZATHBV-LPHOPBHVSA-N 332.444 1.945 0 40 EDAB C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)C1CC(F)C1 585096995 DJXFLYJZLMYOJL-HSBZDZAISA-N 346.406 1.475 0 40 EDAB COc1cc(Br)cc(C(=O)N2CCCn3nnnc32)c1 905848866 WVINIWYZHIQIEB-UHFFFAOYSA-N 338.165 1.495 0 40 EDAB Cc1cc(CNC(=O)[C@]2(Cc3ccccc3)CCN(C)C2=O)no1 585141124 QACPGNZVAIRISR-GOSISDBHSA-N 327.384 1.690 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cc(C)ccc3OC)CC2)n1 65609578 RKGPGBUFWUICRN-UHFFFAOYSA-N 342.399 1.765 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1 69558291 XLLZPSCQYQGATQ-UHFFFAOYSA-N 333.360 1.510 0 40 EDAB COCCN1C(=O)C[C@H](Nc2ccc(OC)c(OC(F)F)c2)C1=O 55144400 RPJCAKONYMUXDS-JTQLQIEISA-N 344.314 1.482 0 40 EDAB CN1CCN(CCN2C(=O)NC3(CCCC3)C2=O)Cc2ccccc21 83881719 KIPYLBMBTMMZQQ-UHFFFAOYSA-N 342.443 1.803 0 40 EDAB Cc1ccc(OCC2CCN(c3ncnc4c3cnn4C)CC2)nn1 1776009729 OVDWUXONAWKPIL-UHFFFAOYSA-N 339.403 1.757 0 40 EDAB NC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCNC(=O)c1ccc(Cl)cc1 76088902 DJKKCDCYJRBPOS-OLZOCXBDSA-N 337.807 1.230 0 40 EDAB CN(Cc1ccco1)S(=O)(=O)c1cc(F)ccc1NCCO 1615046644 TWIHFCSZFWLNHT-UHFFFAOYSA-N 328.365 1.644 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](CCC(=O)O)C(=O)O)c(C)c1 1616035636 BGPKZQKLHKFECC-NEPJUHHUSA-N 343.401 1.536 0 40 EDAB CCOc1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1 5540794 MNYWJFMRNONJGH-UHFFFAOYSA-N 348.399 1.970 0 40 EDAB O=C1NC(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)C(=O)N1 5603208 JTJBKOGQZGCGFJ-UHFFFAOYSA-N 347.330 1.353 0 40 EDAB Cc1cc(C)n(CC(=O)NCCc2nc(-c3cccnc3)n[nH]2)n1 12115820 BDYUNMXCZQYVQS-UHFFFAOYSA-N 325.376 1.039 0 40 EDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCCc1ccccc1 12925589 CGIGDDCTTSJBFF-UHFFFAOYSA-N 338.415 1.615 0 40 EDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)c1ccncc1)CC3 13226793 DUPVZXBAWAYCLI-UHFFFAOYSA-N 340.408 1.860 0 40 EDAB COC[C@H](C)C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 103432078 JONWEIJPJNHGDZ-LBPRGKRZSA-N 330.388 1.130 0 40 EDAB CCOC1(C(=O)N2C[C@H](c3cnn(C)c3C)[C@@H](C(N)=O)C2)CCCC1 527578865 CQVOMGYOHHASMG-CABCVRRESA-N 348.447 1.105 0 40 EDAB CCc1ccccc1-n1nnnc1SCC(=O)N1CCOCC1 5016296 DQQKJNQPJLZAAA-UHFFFAOYSA-N 333.417 1.176 0 40 EDAB COc1ccc2cc(CNC[C@@H]3COC[C@@H](OC)[C@H]3O)ccc2c1 643585447 LKEADJNQCMWASO-QRQLOZEOSA-N 331.412 1.960 0 40 EDAB Cc1nnsc1C(=O)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238830661 FVGYHBJPXDCRBV-ZCFIWIBFSA-N 333.295 1.878 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(n2nnc3ccsc3c2=O)CC1 390829818 GVFJLXLNXYLXHL-GFCCVEGCSA-N 334.401 1.196 0 40 EDAB Cc1ccnc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)n1 1888853409 VORBNUBXHSTZNH-UHFFFAOYSA-N 325.420 1.502 0 40 EDAB O=C(CN1CCO[C@H](C(=O)N2CCCCC2)C1)NC1CCCCC1 1888921886 QQSMFRBWVRXDMY-INIZCTEOSA-N 337.464 1.149 0 40 EDAB CSc1nccc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)n1 1889104427 SZFAVNQMZHISJC-SNVBAGLBSA-N 328.463 1.249 0 40 EDAB COC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](C)NC(C)=O)CC1 21201618 PTJILVWUUOEOGN-ZDUSSCGKSA-N 332.400 1.244 0 40 EDAB O=S(=O)(NCc1nc(-c2cc(C3CC3)on2)no1)c1cccnc1 238850785 JHNLOBGSXYTYNL-UHFFFAOYSA-N 347.356 1.476 0 40 EDAB Cc1ccnc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 4330275 OKJGQMUEWZHTPX-LLVKDONJSA-N 345.380 1.562 0 40 EDAB CCCS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 5136842 FAKDOLJZKRZRGC-UHFFFAOYSA-N 332.447 1.551 0 40 EDAB O=C1O[C@H](CNS(=O)(=O)c2cccnc2)CN1c1ccccc1 8808625 NMWWBZWLKBAEFY-CYBMUJFWSA-N 333.369 1.385 0 40 EDAB Cn1nnc2c(SCC(=O)N3CCCc4ccccc43)ncnc21 13531713 AMWBESJUNZGLLK-UHFFFAOYSA-N 340.412 1.830 0 40 EDAB Cn1cc(-c2noc(CNS(=O)(=O)/C=C/c3ccccc3)n2)cn1 575414305 DDUBKSBVDPVWFK-BQYQJAHWSA-N 345.384 1.560 0 40 EDAB Cc1c(C(=O)N2CCC(NS(C)(=O)=O)CC2)oc2ccccc12 10415169 ZKXIKVHKQHOXTC-UHFFFAOYSA-N 336.413 1.895 0 40 EDAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)o1 31613950 SNKNKFXGCWWKAV-UHFFFAOYSA-N 328.312 1.649 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H]2Cc3ccccc3O2)c1 40511370 BOLKAFPUOVRETL-AWEZNQCLSA-N 349.408 1.986 0 40 EDAB CC[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccccc1OC 40520758 RHPXJTPEZILNJM-OCCSQVGLSA-N 340.445 1.880 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)c(C)c1 51135893 DWZMDUVQJIGBET-GFCCVEGCSA-N 337.401 1.345 0 40 EDAB c1ccc(OCCOCCN2CCN(c3ncccn3)CC2)cc1 51205661 LRRWULYUOXSMIH-UHFFFAOYSA-N 328.416 1.694 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(NC(=O)c2cc(F)cc(F)c2)C1=O 21553006 XZNQJWVDGJJRAT-HNNXBMFYSA-N 335.266 1.670 0 40 EDAB C[C@H](NC(=O)NC[C@H](O)c1ccc(F)c(F)c1)c1nncn1C 46498574 ILBHKUDAHYEHMJ-UFBFGSQYSA-N 325.319 1.187 0 40 EDAB Cn1c(SCC(N)=O)nnc1-c1ccc(Br)cc1 422007 UOQPDVBLZZICKC-UHFFFAOYSA-N 327.207 1.822 0 40 EDAB O=C(Cn1cncn1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 72290278 GWQTZPSZZJFWKV-INIZCTEOSA-N 334.807 1.904 0 40 EDAB O=C(NCCNc1ccccn1)c1c[nH]c(=O)c(Br)c1 76082702 GDJOVSCDUSEJDO-UHFFFAOYSA-N 337.177 1.374 0 40 EDAB C[C@@H](CC(N)=O)Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F 72296138 YZGWVDMNWPIYIA-LURJTMIESA-N 328.287 1.795 0 40 EDAB Cc1c(C(=O)NCc2cccnc2OCC(F)(F)F)cnn1C 33108762 YSQXLUQSCKEZPM-UHFFFAOYSA-N 328.294 1.995 0 40 EDAB COc1ccccc1CN(C)C(=O)CN1C(=O)c2ccccc2C1=O 3410960 KGSCTGMRSRUDTD-UHFFFAOYSA-N 338.363 1.950 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N[C@H]3CCCC[C@H]3C)nc2n1 3542247 BYBJJXUXVVAVIG-MFKMUULPSA-N 345.403 1.593 0 40 EDAB CCNC(=O)NC(=O)CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 53229105 NDXFIXITUJQPRR-HNNXBMFYSA-N 337.395 1.652 0 40 EDAB C[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCC1 4476420 IMIMTRXPRINBIJ-LLVKDONJSA-N 344.367 1.273 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1cc2ccccc2o1 22316108 NTLWQSLZGWVMEC-SNVBAGLBSA-N 329.356 1.940 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 4884566 ZMQYZPMMYXYTHK-NXEZDXNNSA-N 344.411 1.582 0 40 EDAB CN(CC(N)=O)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 47109352 QZBMWZDKKBYGDD-UHFFFAOYSA-N 326.352 1.240 0 40 EDAB COc1ccc2cc(C(=O)NCCN3CCOCC3)c(C)nc2c1 105623283 RECWRDIKWSRQOE-UHFFFAOYSA-N 329.400 1.614 0 40 EDAB NC(=O)NCC(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 61646728 DIGKJNFNXKMJLC-UHFFFAOYSA-N 325.368 1.573 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@H]1CCSc2ccccc21 47594086 OSFYKPYXUMAHNC-JQWIXIFHSA-N 326.443 1.710 0 40 EDAB Cc1cc(COC(=O)CCc2nc3ccccc3c(=O)n2C)no1 23229010 YXSBAMXBBSOEQC-UHFFFAOYSA-N 327.340 1.906 0 40 EDAB Cc1ccn2cc(C(=O)N3CCN(CC(F)(F)F)CC3)nc2c1 54372066 ICDQFPGVCZNIFY-UHFFFAOYSA-N 326.322 1.963 0 40 EDAB O=C(NC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccc3c(c1)OCO3)C2 107710378 LPRCOBXZRZCIIR-IEBWSBKVSA-N 344.411 1.675 0 40 EDAB CCOc1ncnc2c1CN(CC(=O)NCCc1cccs1)CC2 97202221 KCWCNQJZZCHVKJ-UHFFFAOYSA-N 346.456 1.654 0 40 EDAB Cc1ccn2c(=O)cc(Cn3cc(-c4nnco4)ccc3=O)nc2c1 43241341 QGMISEPRLHTAMT-UHFFFAOYSA-N 335.323 1.263 0 40 EDAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)N2CCC[C@@H](C)C2)n1 106582666 NIVDTURNKYMPSE-GFCCVEGCSA-N 340.449 1.237 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(C[C@@H](O)CN3CCC(C)CC3)C2)n1 106785679 CWVSQYGHMQMEHV-OALUTQOASA-N 349.523 1.700 0 40 EDAB CN(Cc1ccncc1)C(=O)[C@H]1CCCCN1C(=O)[C@H]1CCCO1 106735096 SCIHUEYONFFONH-HZPDHXFCSA-N 331.416 1.600 0 40 EDAB C[C@H](NC[C@@H]1CCCN1c1cccnn1)C(=O)N1C[C@@H](C)O[C@H](C)C1 106906329 CNQWNDBIQRPXSY-WCVJEAGWSA-N 347.463 1.059 0 40 EDAB CN(C)[C@@H](CNC(=O)CNC(=O)c1ccccc1)c1ccsc1 25330884 FCNPVUWLLCQKFA-HNNXBMFYSA-N 331.441 1.897 0 40 EDAB Cc1ccc(-n2cnnc2S[C@H](C)C(=O)NC(N)=O)cc1Cl 25317027 FQHBVSFJWSWIQM-MRVPVSSYSA-N 339.808 1.905 0 40 EDAB C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)OCCCO2 107142695 XESQWKKXFFAJJT-DGCLKSJQSA-N 326.418 1.076 0 40 EDAB CC(C)[C@H](CNC(=O)c1ccc(O)nn1)N1CCc2ccccc2C1 25534446 QJRJFWCCDOKNDO-KRWDZBQOSA-N 340.427 1.995 0 40 EDAB O=C(O)[C@@H]1CN(C[C@H]2CCOC2)Cc2ncn(CC3CCOCC3)c21 107777886 ALBSNBSVPSHJGP-HUUCEWRRSA-N 349.431 1.330 0 40 EDAB CCCCN(C)C(=O)/C=C/c1ccc(OC)c(S(=O)(=O)NC)c1 44249900 GWJHKOPKYUQMGI-CSKARUKUSA-N 340.445 1.875 0 40 EDAB CCn1c(=O)c2sccc2n(CC(=O)N(C)c2ccccc2)c1=O 57478716 WRJQDXXUVANURP-UHFFFAOYSA-N 343.408 1.908 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)N(C)CC(=O)NC1CC1)CO2 48043019 BQLQTBMCJBXGJW-UHFFFAOYSA-N 330.384 1.598 0 40 EDAB COC(=O)[C@@H](Cc1cccc(O)c1)N1C(=O)c2ccccc2C1=O 22065898 KIGGKSHXBJRUFV-OAHLLOKOSA-N 325.320 1.773 0 40 EDAB in-vitro CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCCC2=CCCCC2)C1 48276645 DVRPUYQOONTKIG-CQSZACIVSA-N 329.466 1.600 0 40 EDAB Cc1nc(NC(=O)CN2CCN(c3cnccn3)CC2)sc1C 44895667 IIZYVOLDNLXXNG-UHFFFAOYSA-N 332.433 1.311 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1cccnc1-n1cncn1 58210445 WQJSZXUQMSVKTP-GQCTYLIASA-N 349.350 1.721 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N1CCN(Cc2ccncc2)CC1 44969786 DRJPPFPLIBRYLW-HNNXBMFYSA-N 328.420 1.194 0 40 EDAB C[C@H]1CCCN(C(=O)CCNC(=O)CNC(=O)c2ccsc2)C1 58311086 RVZXEYFFMLJNMI-LBPRGKRZSA-N 337.445 1.243 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 58392720 GUEGYZSPSMPCGH-AWEZNQCLSA-N 342.395 1.803 0 40 EDAB COC(=O)c1ccc(CNC(=O)c2ccc(-n3cnnn3)cc2)cc1 12783792 BJDWZYZHOVSQQK-UHFFFAOYSA-N 337.339 1.379 0 40 EDAB NC(=O)c1cc(NC(=O)c2cccc(-n3cnnn3)c2)ccc1Cl 29019013 JMFLVTFOKXCKJN-UHFFFAOYSA-N 342.746 1.667 0 40 EDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1cc(F)ccc1F 45772335 GXIDMTITPVELCU-UHFFFAOYSA-N 331.300 1.665 0 40 EDAB COc1ccc(S(=O)(=O)Nc2nccs2)cc1NC(C)=O 11615554 IZRDAOWHKZIZMF-UHFFFAOYSA-N 327.387 1.911 0 40 EDAB CC[C@@H](C)NC(=O)CN1CCN(c2cnc3ccccc3n2)CC1 29532200 WKAGLQQPDPUELK-CQSZACIVSA-N 327.432 1.667 0 40 EDAB CN(C)C[C@@]1(O)CCN(C(=O)Cn2c(C3CC3)nc3ccccc32)C1 72148878 KKWQUUWECUSHGY-IBGZPJMESA-N 342.443 1.439 0 40 EDAB COc1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1F 49223340 ZTWDQINIQBRPEJ-UHFFFAOYSA-N 342.330 1.968 0 40 EDAB CC[C@@]1(C)NC(=O)N(CCCNCc2cccc3cn[nH]c23)C1=O 84024450 MVDBEENGBHVYNX-QGZVFWFLSA-N 329.404 1.763 0 40 EDAB CO[C@]1(C)C[C@@H](NC(=O)c2cnc3sc(C)cn3c2=O)C1(C)C 92945667 PGWKKCQGJLDTQD-BDJLRTHQSA-N 335.429 1.998 0 40 EDAB O=C(NCc1ccc(-n2cccn2)nc1)c1cnn(-c2ccccc2)n1 39538273 ZOSDVXUCXUQDAX-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H]1CCCCC1=O 6120974 LMCKJYYWNUMGBA-ZDUSSCGKSA-N 327.358 1.011 0 40 EDAB CC(=O)NCCNC(=O)CCOc1cccc(Br)c1 49957809 DKHPLCLCZRHHQF-UHFFFAOYSA-N 329.194 1.470 0 40 EDAB CC(C)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 9834517 JQAOHHLFFISHBE-HNNXBMFYSA-N 340.376 1.406 0 40 EDAB COc1ccc(C)cc1-n1ccc(C(=O)N2CC[C@H](C(N)=O)C2)n1 65476407 MOPIPIKIZQSPPX-LBPRGKRZSA-N 328.372 1.137 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)C(C)(C)C)C2=O 6369226 HDVLXTQULKLLGM-DIFFPNOSSA-N 338.404 1.646 0 40 EDAB CC[C@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@@H]1N1CCOCC1 84735963 KMQCECISOPQREI-HOTGVXAUSA-N 334.464 1.703 0 40 EDAB CNC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cccs1 65584832 IOSGUAAEJZMARV-UHFFFAOYSA-N 326.399 1.917 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2CCCO)C1 65515014 MQBPGQQVFGRTRN-HUUCEWRRSA-N 326.437 1.025 0 40 EDAB COc1ccnc(C(=O)N2CC(S(=O)(=O)Nc3ccccc3)C2)c1 96005394 RRDYHGXIQZVSFS-UHFFFAOYSA-N 347.396 1.357 0 40 EDAB CN(C)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 97082847 GDYHIDJOXPBJDI-VHSXEESVSA-N 337.367 1.861 0 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O=S(=O)(CCN1CCN(c2nccs2)CC1)c1ccccc1 40033513 LLMMHYHTMUOCDI-UHFFFAOYSA-N 337.470 1.739 0 40 EDAB CCOc1ccc(-c2noc(CCC(=O)N3CCNC(=O)C3)n2)cc1 30577026 UJJCEUABBSYTTK-UHFFFAOYSA-N 344.371 1.026 0 40 EDAB CNc1snc(C)c1C(=O)NCCNC(=O)c1cccc(OC)c1 30806983 GRDKLXBJAAEANR-UHFFFAOYSA-N 348.428 1.662 0 40 EDAB Cc1nnc(CN2CCN(C(=O)COc3cccc(C)c3C)CC2)o1 30971455 GFDJYVZPWLXZMO-UHFFFAOYSA-N 344.415 1.718 0 40 EDAB Cc1cc(C)c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)[nH]c2c1 40512826 OZVCPBWFDQEXFY-UHFFFAOYSA-N 335.429 1.502 0 40 EDAB Cn1ncc2c(=O)[nH]c(COC(=O)Cc3ccccc3Cl)nc21 40556028 RZRXUAUMNSOXQY-UHFFFAOYSA-N 332.747 1.596 0 40 EDAB CN(C)c1cc(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)ccn1 40512550 BIBZVWGXTFSHPW-HNNXBMFYSA-N 325.368 1.546 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2)C1=O 21559241 KBEQOGNQTKKORK-BLLLJJGKSA-N 338.791 1.800 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCc3ccccc32)CC1 21865687 USHSPKJIMLOOTK-INIZCTEOSA-N 336.457 1.852 0 40 EDAB O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(O)nn1 29849161 JJPRKDWTTPAVMH-UHFFFAOYSA-N 326.356 1.235 0 40 EDAB O=C(Cc1ccccc1)NCCC(=O)N1CCO[C@H]2CCCC[C@H]21 46489924 NHALSSPUKREPAM-SJORKVTESA-N 330.428 1.905 0 40 EDAB Cc1ccc(N2C(=O)c3sc4nc(=O)c(C)nn4c3C2=O)cc1 113467 FJEZTTPGOSJLKI-UHFFFAOYSA-N 326.337 1.568 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1 52851993 LYMMVFUBHVREOI-SFHVURJKSA-N 329.444 1.760 0 40 EDAB CCOC(=O)c1oc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)nc1C 78815499 XOVKHQUXKBGQTA-GFCCVEGCSA-N 349.387 1.747 0 40 EDAB Cn1c(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc(=O)n(C)c1=O 71811040 XBIIMUWWXRWJIK-OAHLLOKOSA-N 349.818 1.311 0 40 EDAB CC(C)n1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 79488991 VMEDRKPSNRZICJ-GFCCVEGCSA-N 348.424 1.499 0 40 EDAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)n1nnc2ccccc2c1=O 41863900 VZJVKHUIHDSUKW-SNVBAGLBSA-N 337.339 1.090 0 40 EDAB COc1cc(C(=O)CSc2nc(N)cc(N)n2)ccc1NC(C)=O 4171054 DPJAGCOPIZASHB-UHFFFAOYSA-N 347.400 1.583 0 40 EDAB C[C@H]1CN(C(=O)NCCS(=O)(=O)Cc2ccccc2)CCO1 47070676 FAGUZIORTVAMCJ-ZDUSSCGKSA-N 326.418 1.032 0 40 EDAB CC(C)NC(=O)CNC(=O)c1nc(-c2ccc3[nH]ccc3c2)no1 12388860 DALCIVOONFVHFE-UHFFFAOYSA-N 327.344 1.472 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H](CC(C)C)N1CCOCC1 22970651 IBWDIZHXHFLBNA-MRXNPFEDSA-N 336.480 1.443 0 40 EDAB CN1CCN(C(=O)Cn2nc(COc3ccccc3)oc2=S)CC1 8091772 GXXWPHQMVLYJKY-UHFFFAOYSA-N 348.428 1.559 0 40 EDAB CN(CC(=O)OCC(=O)N1CCc2sccc2C1)c1ncccn1 23173566 YYKPTWAJGUJCBK-UHFFFAOYSA-N 346.412 1.102 0 40 EDAB C[C@@H](C(=O)N1CCC(N2CCNC2=O)CC1)n1cnc2ccccc21 54604916 RYKARTHQUPAOHW-ZDUSSCGKSA-N 341.415 1.614 0 40 EDAB COc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)c(OC)c1 24014602 ZYADPMDAEHSFGV-UHFFFAOYSA-N 346.387 1.427 0 40 EDAB CCOc1ccc(C(=O)NCC(=O)NC[C@H](O)C(CC)CC)cc1 71898203 IULGJNPIDYDMKJ-INIZCTEOSA-N 336.432 1.728 0 40 EDAB O=C(c1sccc1-n1cnnn1)N1CCC[C@@H](N2CCCC2)C1 71886430 MQLQXQQLRQNJJV-GFCCVEGCSA-N 332.433 1.424 0 40 EDAB Cc1cc(C)c(C)c(OCCCNS(=O)(=O)N2CCOCC2)c1 55414173 QCOASKNASQLHIL-UHFFFAOYSA-N 342.461 1.547 0 40 EDAB C[C@H]1COCCN1[C@H](C)CNC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 107357452 SWSOGFMXMOMHJK-OWCLPIDISA-N 349.479 1.103 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)c2c(C)noc2n1 71830360 CRMZKBYUBNRQPA-GFCCVEGCSA-N 343.387 1.469 0 40 EDAB Cc1cc(Nc2cnn(CCO)c2)n2nc(C(F)(F)F)nc2n1 57148955 ADTABDCCWCKGPU-UHFFFAOYSA-N 327.270 1.384 0 40 EDAB CC[C@H](C)NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 57486031 AXZQHZBYJLKICG-NSHDSACASA-N 337.445 1.795 0 40 EDAB Cc1ccn(-c2ccnc(N3CCN(C(=O)c4ccco4)CC3)n2)n1 57508389 FSMNBKVNOKDEAL-UHFFFAOYSA-N 338.371 1.526 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)no1 27036528 JVQPLRVZVUEHJY-QWRGUYRKSA-N 344.371 1.992 0 40 EDAB C[C@H](NC(=O)CN1C[C@@H](C(N)=O)Oc2ccccc21)c1cccs1 12596501 WAEIQNUEEFYARK-FZMZJTMJSA-N 345.424 1.678 0 40 EDAB CCN(C(=O)CN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1)C1CC1 57843501 YMIAAQKNQUIHDR-LBPRGKRZSA-N 339.461 1.338 0 40 EDAB COCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 44549885 QVHWTNQYUIBDSH-UHFFFAOYSA-N 338.385 1.929 0 40 EDAB CCc1nc(CN(C)[C@H]2CCN(CC(=O)NCc3ccco3)C2)no1 72300016 LUSCIUBUEJTIHL-ZDUSSCGKSA-N 347.419 1.048 0 40 EDAB Cc1ccc(-n2cnnn2)cc1NC(=O)CCc1c(C)nn(C)c1C 44600835 SDLPWVDVQIZFSD-UHFFFAOYSA-N 339.403 1.892 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1Cc2cc(Cl)ccc2O1 44721623 VWGCPNBNWWQDEB-ZANVPECISA-N 329.805 1.194 0 40 EDAB Cn1cc(S(=O)(=O)NCC2(c3ccccc3)CCC2)cc1C(N)=O 44771388 ZWRCAQZQMKRRAV-UHFFFAOYSA-N 347.440 1.524 0 40 EDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H]1CCN(C2CC2)C1 58148800 FDHZNQCUQAFIRE-LPHOPBHVSA-N 343.471 1.723 0 40 EDAB Cc1cc(N2CCN(CCOc3ccccc3)CC2)n2ncnc2n1 58161794 DDZGKUXOBZFGEQ-UHFFFAOYSA-N 338.415 1.634 0 40 EDAB COc1ccccc1OCC(=O)NCCC(=O)NCc1cccnc1 58200926 YOGXICYRTCKKBK-UHFFFAOYSA-N 343.383 1.292 0 40 EDAB COC(=O)[C@@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420122 QBGQCINBSKQEPH-BUWBCJGYSA-N 336.775 1.147 0 40 EDAB COCCOc1ccc([C@@H](C)NC(=O)c2ccc(O)nn2)cc1OC 44954754 DRQNOYZORNCVTQ-LLVKDONJSA-N 347.371 1.707 0 40 EDAB CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)C1CCCC1 44969516 JHGSHDSZHYBJLT-JKSUJKDBSA-N 345.447 1.257 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 58351246 QNMWTSYKIDSVIS-MFKMUULPSA-N 344.371 1.162 0 40 EDAB CC(C)NC(=O)CN1CCN(Cn2ccc(C(F)(F)F)n2)CC1 58304764 VRVRXIBKYYBNHU-UHFFFAOYSA-N 333.358 1.002 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)C[C@H](NC(N)=O)c1ccccc1F 48273149 JNIJOXYSQUGCQN-RISCZKNCSA-N 333.367 1.327 0 40 EDAB Cc1ccc(-c2ccc(=O)n(CC3(O)C[C@H]4CC[C@H](C3)N4)n2)cc1 100736832 XHRYOEMJAMKVKW-HZPDHXFCSA-N 325.412 1.864 0 40 EDAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN([C@@H]2CCCN(C)C2)CC1 71909034 LXNAVYMODIREOC-MAUKXSAKSA-N 348.466 1.865 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)NCc1ccc(N2CCOCC2)nc1 45375959 NCVXPJFMQIYRGA-MRXNPFEDSA-N 348.447 1.486 0 40 EDAB COc1cc(F)ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 25312328 BIOYTJOBVMWSHE-UHFFFAOYSA-N 330.381 1.444 0 40 EDAB Cc1cc(N(C)[C@H]2CCN(c3ccccc3F)C2=O)n2ncnc2n1 71902807 ZOQCPPGGHMSNHU-AWEZNQCLSA-N 340.362 1.814 0 40 EDAB CN1CCO[C@@H](CNCC(=O)NCC2(c3ccccc3)CCC2)C1 72267897 IIQZTDVXHZSWBL-KRWDZBQOSA-N 331.460 1.145 0 40 EDAB CC(=O)NCCCNC(=O)N[C@H](c1ccccc1)c1nccn1C 45865140 YCBSAYXNCDHSDH-OAHLLOKOSA-N 329.404 1.335 0 40 EDAB COc1ccc(CCC(=O)N[C@@H]2CCc3nccn3C2)cc1OC 72278559 OPQACPNIFVBNIF-CQSZACIVSA-N 329.400 1.964 0 40 EDAB O=C1OCC[C@H]1N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 48354800 WHJPGFZLIFBINJ-MRXNPFEDSA-N 327.384 1.170 0 40 EDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2c(C)nn(C)c2C)o1 72241037 WYTMACFHQOGTHX-MRXNPFEDSA-N 344.415 1.746 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](C)CN2CCCC2=O)c1 63243712 TWQMYNAJWNYLIJ-TZMCWYRMSA-N 332.400 1.784 0 40 EDAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)[nH]c(=O)n(C)c1=O 3985234 NFKFPXUISXQNEK-OAHLLOKOSA-N 340.383 1.228 0 40 EDAB biogenic Cc1cnn([C@@H]2CCCN(C(=O)c3nc4nccc(C)n4n3)C2)c1 71185984 LWGOHUZMRVOCLO-CYBMUJFWSA-N 325.376 1.415 0 40 EDAB CN(C)CCNC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccco1)CC2=O 49545369 XGRBWAKITPDWGL-LLVKDONJSA-N 343.383 1.172 0 40 EDAB O=C(NCCCn1ccnc1)C(=O)Nc1ccc2nsnc2c1 13683809 XOPPOCVUIZCVQL-UHFFFAOYSA-N 330.373 1.033 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC(c2ccccc2)=N1 9050035 MEZQHJFSZQVFFU-UHFFFAOYSA-N 340.383 1.488 0 40 EDAB CC(C)Oc1ccc(C(N)=O)cc1NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C 71284442 SENCEWCDCIBMQU-CHWSQXEVSA-N 334.372 1.868 0 40 EDAB CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 65591599 MYSXRTZBULSNBD-NSHDSACASA-N 337.807 1.149 0 40 EDAB O=C(Cn1nnc(-c2ccccc2Cl)n1)NC(=O)NC1CCCC1 5326999 UAZYVMXRZZSYTM-UHFFFAOYSA-N 348.794 1.762 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCCc1cccs1 14167028 ICMNFMGFLLXYQD-INIZCTEOSA-N 343.452 1.319 0 40 EDAB COCCn1nc(C)c(NC(=O)N2CCN(C)C[C@H]2C(C)C)c1C 96000228 ATNYOGCYXVJFPS-HNNXBMFYSA-N 337.468 1.950 0 40 EDAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 67612444 QCNLPZZGRKBRBF-ZACQAIPSSA-N 343.427 1.575 0 40 EDAB Cc1nc2n(n1)C[C@H](Nc1ncnc3c1nnn3-c1ccccc1)CC2 70040216 FRDPGOUOXYFWKC-GFCCVEGCSA-N 347.386 1.537 0 40 EDAB CNC(=O)NC(=O)CNc1cc(C(=O)OC)cc(C(F)(F)F)c1 69349785 HFEWTVDGFWEDQZ-UHFFFAOYSA-N 333.266 1.360 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2ccccc2Cl)C1 71799986 XZPOJJNZFKKYST-RISCZKNCSA-N 343.832 1.675 0 40 EDAB O=C(CC1CCCC1)NCCC(=O)N1CCN(c2ncccn2)CC1 69414530 ZSGLNNZIJCUDIE-UHFFFAOYSA-N 345.447 1.212 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCCN(c2nc3ccccc3[nH]2)CC1 69533322 BVNWPAKSCARTNC-ZDUSSCGKSA-N 327.432 1.742 0 40 EDAB CC(=O)Nc1nc(CN2CCN(Cc3nccn3C)[C@@H](C)C2)cs1 69521433 TXTPPZUGNOEECN-LBPRGKRZSA-N 348.476 1.541 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 69521098 HZTTUQOKEYFGJF-OIISXLGYSA-N 333.476 1.863 0 40 EDAB C[C@H]1CN(C(=O)Cn2c(S)nnc2-c2cccs2)C[C@H](C)O1 17327372 ZLXZEWXCVUKDPZ-UWVGGRQHSA-N 338.458 1.931 0 40 EDAB C[C@H](C(=O)Nc1nccs1)N1CCN(C[C@H](O)C(C)(C)C)CC1 69628074 TWLGXWNFJOMDFZ-OLZOCXBDSA-N 340.493 1.495 0 40 EDAB COc1ccc(C(=O)O[C@@H](C)C(=O)NCCc2ccccc2)cn1 8516739 NYIAWUZFXPVTQN-ZDUSSCGKSA-N 328.368 1.994 0 40 EDAB COC(=O)c1cc(C)nc2nc(SCc3noc(C)n3)[nH]c(=O)c12 69707169 XMDCDCPIVPUQQB-UHFFFAOYSA-N 347.356 1.397 0 40 EDAB O=C(CCc1cccs1)NCCN1CCN(C(=O)C2CCC2)CC1 69737827 QRPHYQBXALNZGT-UHFFFAOYSA-N 349.500 1.741 0 40 EDAB CCOc1ccccc1NC(=O)C(=O)NCc1ccccc1CO 69870351 ZAJHMMPDDWDSGK-UHFFFAOYSA-N 328.368 1.833 0 40 EDAB C[C@H](O)CN1CCN(C(=O)CCCOc2ccc(F)cc2F)CC1 69980965 LRQNKQQCRWZYRS-ZDUSSCGKSA-N 342.386 1.649 0 40 EDAB COCCN1CCC[C@@H](OC(=O)[C@@H](C(C)C)N2CCCC2=O)C1 69946454 OVWHXENIZAJEQS-GDBMZVCRSA-N 326.437 1.287 0 40 EDAB O=C1c2ccccc2CN1CC(=O)N1CCCC[C@H]1Cn1cccn1 69971224 VFFYLIFSGANBCQ-INIZCTEOSA-N 338.411 1.920 0 40 EDAB CC(C)N1C(=O)[C@@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)NC1=S 8739867 JZXMAAKFTAPSJA-RDTXWAMCSA-N 343.452 1.850 0 40 EDAB OCCn1ncc2c(NCCc3ccc4c(c3)OCO4)ncnc21 97200385 WWCVIVJWSZMHNK-UHFFFAOYSA-N 327.344 1.202 0 40 EDAB O=C1NC(=O)[C@@]2(CCC[C@@H]2CNC(=O)C2(c3ccccc3)CCC2)N1 84525109 UYBRWRISEIRBHV-KUHUBIRLSA-N 341.411 1.603 0 40 EDAB O=C(CN1CCCS1(=O)=O)O[C@H](c1ccccc1)c1ccccn1 95350833 UKQZSDSYXJBTSS-QGZVFWFLSA-N 346.408 1.750 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)cn1 306129191 HWZCGDJLTZHXML-HRCADAONSA-N 329.404 1.269 0 40 EDAB CN(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)S(C)(=O)=O 95408558 ORXWZFMLENDNIJ-UHFFFAOYSA-N 337.367 1.961 0 40 EDAB C[C@H](NC(=O)CN1CCOC[C@@]1(C)CO)c1ccccc1Cl 95468873 WINCAXBOIGAIAV-BLLLJJGKSA-N 326.824 1.600 0 40 EDAB O=C(Nc1ncccn1)C1CCN(C[C@@H](O)c2ccccc2F)CC1 95951633 NAPBZZKPZKFDOC-MRXNPFEDSA-N 344.390 2.000 0 40 EDAB CNC(=O)C1CCN(C(=O)CN[C@@H](C)c2cccc(Cl)c2)CC1 95984181 NZKICAPAWFEQBC-LBPRGKRZSA-N 337.851 1.975 0 40 EDAB Cc1ccc(O)c(CN2CCCN(C(=O)c3ccncc3)CC2)n1 95982475 BRDSOSBCITXNCF-UHFFFAOYSA-N 326.400 1.839 0 40 EDAB Cn1ccnc1C[C@@H]1CCCN(C(=O)Nc2cccn(C)c2=O)C1 89761404 ZGCIFDZJWWKSND-ZDUSSCGKSA-N 329.404 1.605 0 40 EDAB O=C(Cc1csc(Cc2ccccc2)n1)N1CCN(CCO)CC1 75572394 VTZJQDJTJMMOIC-UHFFFAOYSA-N 345.468 1.413 0 40 EDAB Cc1ccc(/C=C/C(=O)NCCC(=O)N(C)C2CCN(C)CC2)o1 75602108 BWSKUYLUBLYWMH-VOTSOKGWSA-N 333.432 1.660 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CC)cc1C 408611400 WDADSLOYTJFQTO-CHWSQXEVSA-N 342.461 1.975 0 40 EDAB C[C@H](NC(=O)Nc1c[nH]nc1-c1nccs1)[C@H]1CN(C)CCN1C 1548606538 KUBNFLPSEXVAFB-CMPLNLGQSA-N 349.464 1.289 0 40 EDAB CCOC(=O)COc1ccc([C@H]2NC[C@@H](C(=O)O)S2)cc1OC 408978538 MRJBFSGIEUBUQY-JSGCOSHPSA-N 341.385 1.425 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@@H](C)OCC2(C)C)cc1OC 36075990 HPFKJQYLULEDAV-LLVKDONJSA-N 329.418 1.892 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccncc2)ccc1C 408622415 OINIOYMAQMYIAN-UHFFFAOYSA-N 333.413 1.618 0 40 EDAB Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)OCC(=O)N3C)c[nH]1 524735560 KBPZNNLWUZVIDA-UHFFFAOYSA-N 343.339 1.056 0 40 EDAB CCOc1ccc(NC(=O)Cn2nc3c(cc2=O)CO[C@H]3C)cc1 72342367 YFOFAWYKTVGRCL-NSHDSACASA-N 329.356 1.872 0 40 EDAB C[C@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)N1CCCC1 42503399 RBRFSDDYESFWIJ-OAHLLOKOSA-N 340.427 1.506 0 40 EDAB Cc1cnn(C)c1S(=O)(=O)N1CCc2ccc(C(=O)O)cc2C1 556774737 GNJWYHRRUBDSPU-UHFFFAOYSA-N 335.385 1.174 0 40 EDAB Cn1ccnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1=O 361159682 OHIOAVCNXPYTNG-UHFFFAOYSA-N 339.321 1.521 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(C)C)c(C(=O)O)c1 217662500 TUXKFIYKIOEBMC-JTQLQIEISA-N 330.406 1.518 0 40 EDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1Cl 71979967 PDMPAKRVRKIWMD-CYBMUJFWSA-N 338.791 1.688 0 40 EDAB COCc1cc(C(=O)O)cc(S(=O)(=O)NC2(C)CCOCC2)c1 567730894 ZWGJZYVFZCIISS-UHFFFAOYSA-N 343.401 1.379 0 40 EDAB CN1C(=O)C[C@@H](CNCc2cnn3ccccc23)[C@@H]1c1nccn1C 568777047 HAFMAVHPPOOORH-SUMWQHHRSA-N 338.415 1.377 0 40 EDAB CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 190130553 NGVSCZOUTLOWPA-DOTOQJQBSA-N 346.475 1.817 0 40 EDAB Cn1cc(Br)cc1C(=O)NCCCN1CCC(O)CC1 80368339 GRWPAHZHGYKGIR-UHFFFAOYSA-N 344.253 1.364 0 40 EDAB Cc1noc([C@H]2CCN(Cc3nc4ccccc4c(=O)n3C)C2)n1 572309173 MWNCPNLWKAMGQE-LBPRGKRZSA-N 325.372 1.614 0 40 EDAB Cc1ncccc1NC(=O)C(=O)N1CCC(NC2CCCC2)CC1 225496388 QWGRALYSDMAWPJ-UHFFFAOYSA-N 330.432 1.852 0 40 EDAB O=C(COCc1ccccc1)NCc1nc(-c2cc[nH]c(=O)c2)no1 225802580 ZHXNUCHECVEYSM-UHFFFAOYSA-N 340.339 1.258 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)Cc1ccc(-n2cnnn2)cc1 48156514 CYFJGBXXCGUKIJ-HNNXBMFYSA-N 337.387 1.132 0 40 EDAB O=C([C@@H]1CCc2[nH]cnc2C1)N1CCN(Cc2ccncc2)CC1 225511036 RFSHXAWVWDVROW-OAHLLOKOSA-N 325.416 1.254 0 40 EDAB c1ncn(Cc2nnc(SCCc3ccc4c(c3)CCO4)o2)n1 96455686 ORTCXRJJZIQRTF-UHFFFAOYSA-N 329.385 1.979 0 40 EDAB Cc1nnnn1-c1ccc(C(=O)Nc2nc(CC(C)C)n[nH]2)cc1 95479439 TYQCTTRGNQFRLQ-UHFFFAOYSA-N 326.364 1.540 0 40 EDAB CCc1nncn1CCNS(=O)(=O)c1ccc(C)c(N(C)C)c1 96472757 NAEDUIACBZAUTN-UHFFFAOYSA-N 337.449 1.193 0 40 EDAB O=C1CC[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)N1 96495828 QIQFDCXOCREXGL-ZIAGYGMSSA-N 339.399 1.456 0 40 EDAB CN(Cc1ccccn1)C(=O)c1n[nH]c2c1CN([C@H]1CCOC1)CC2 96187433 SDAFGSHXDWDABY-AWEZNQCLSA-N 341.415 1.224 0 40 EDAB O=C(Cc1ccccn1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1 96189115 VESNUJFQIWQOSZ-INIZCTEOSA-N 340.427 1.906 0 40 EDAB CCc1n[nH]c(=O)c(CNS(=O)(=O)c2ccc(C)s2)c1CC 96475340 IDQAAGCYDGFQIS-UHFFFAOYSA-N 341.458 1.743 0 40 EDAB Cn1c(CO[C@H]2CN(S(C)(=O)=O)C[C@H]2F)nc2ccccc21 96111996 XTVHIKCVKPWHGJ-MFKMUULPSA-N 327.381 1.072 0 40 EDAB biogenic,in-vitro O=S(=O)(C1CC1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 96065937 VPUUJPAXHSWTOL-OAGGEKHMSA-N 338.429 1.322 0 40 EDAB Cc1cccc(C(=O)N2CCCN(C(=O)[C@@H]3CNC[C@H]3C)CC2)c1 333284381 KEZUTOKPERMXFW-NVXWUHKLSA-N 329.444 1.525 0 40 EDAB O=C([C@H]1CCCO1)N1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96159430 WIWRUMHGORIYOC-CRAIPNDOSA-N 329.400 1.212 0 40 EDAB O=C(c1ccco1)N1C[C@H]2CN(S(=O)(=O)c3cccs3)[C@H]2C1 96082950 OFNADUDAUGPWFC-QWRGUYRKSA-N 338.410 1.486 0 40 EDAB COCCN1CC2(CCN(C(=O)c3ccncn3)CC2)C[C@H]1COC 96220103 WZLLUJACTDSLCH-HNNXBMFYSA-N 348.447 1.066 0 40 EDAB COCCN1CC2(CCN(C(=O)C3CC=CC3)CC2)C[C@H]1COC 96207624 BDAVBGYCKFBDFT-KRWDZBQOSA-N 336.476 1.929 0 40 EDAB Cc1c(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)cnn1C 96182573 CYPFVFDQTAKWEW-UHFFFAOYSA-N 348.428 1.116 0 40 EDAB O=C(CCOc1ccc(F)cc1)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617769 QLIJWBUKXXDEFK-INIZCTEOSA-N 334.351 1.223 0 40 EDAB O=C(CN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)NCc1ccccc1F 583614724 RWKVNPDTVWAMQQ-UAGQMJEPSA-N 336.407 1.304 0 40 EDAB Cn1cc(-c2nnn3c2CO[C@@H](CNCc2ccsc2)C3)cn1 96061008 XOPNEUGQHXSVJF-ZDUSSCGKSA-N 330.417 1.429 0 40 EDAB Cc1occc1C(=O)N1Cc2nnn(C)c2[C@H](COCCN(C)C)C1 96060678 JHGIWFTWCJBGEN-ZDUSSCGKSA-N 347.419 1.034 0 40 EDAB COC[C@]12COC[C@H]1CN(S(=O)(=O)c1ccc(C)cc1OC)C2 96108643 IRFOYDILXDDUEQ-CZUORRHYSA-N 341.429 1.287 0 40 EDAB COc1ccc(CN2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCCC3)C2)cc1 247888205 LWVYGAFJUIOXSW-KZNAEPCWSA-N 330.428 1.907 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(CC3CCCC3)C[C@@H]21)c1cccnc1 247347262 BOMUJVSMDCXFHK-KZNAEPCWSA-N 329.444 1.948 0 40 EDAB Cn1cc(C(=O)N2CC3(C[C@H](Oc4cccnc4)CCO3)C2)cn1 248150552 TWOZUFNTIKMVSA-CQSZACIVSA-N 328.372 1.268 0 40 EDAB CCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4OC)C(=O)[C@H]13)O2 248143884 RKTXWYRYYFZZSC-DRMAHVMPSA-N 343.379 1.935 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)NCCc1ccccn1 585121522 RQEHVZJUGRDBHV-KDOFPFPSSA-N 349.431 1.501 0 40 EDAB CCOc1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)c1 585122055 LUEDMRMGJMQDHM-GDBMZVCRSA-N 342.399 1.131 0 40 EDAB CCc1noc(C)c1C(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257259391 KYDWCFUCWDMVAG-SFHVURJKSA-N 344.415 1.702 0 40 EDAB CN(C(=O)CCc1cnn(C)c1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257214687 CNAXJYCFXPWHCO-AOIWGVFYSA-N 343.427 1.782 0 40 EDAB CCCc1cc(C(=O)N(C)C[C@]2(O)CCN(c3ncccn3)C2)no1 257293354 QPCXGFVKURTDCE-QGZVFWFLSA-N 345.403 1.131 0 40 EDAB Cn1cc(CN2CCOC[C@@H](Cc3nccn4cccc34)C2)cn1 257342625 ZPLXEMULOQICAN-HNNXBMFYSA-N 325.416 1.759 0 40 EDAB CC1(c2ncc(C(N)=O)s2)CCN(C(=O)c2cccnc2)CC1 257224756 FDFQJARNNSRYSL-UHFFFAOYSA-N 330.413 1.831 0 40 EDAB O[C@H](CN1CCN(Cc2ccc(-n3ccnc3)nc2)CC1)C1CC1 1615583688 MGFHZKLJRXKXSP-QGZVFWFLSA-N 327.432 1.156 0 40 EDAB Cn1nc(CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)cc1C1CC1 96099389 ZBJUWZOHLFNENC-UHFFFAOYSA-N 348.384 1.211 0 40 EDAB CC(C)(C)S(=O)(=O)[C@H]1CCN(S(=O)(=O)C2CCCCC2)C1 96103435 NLLLPXKIOFZMOB-ZDUSSCGKSA-N 337.507 1.937 0 40 EDAB COC(=O)[C@@H](CCC(=O)c1ccn(C)n1)NC(=O)OC(C)(C)C 575410885 JPRFEYYUSSMLEM-LLVKDONJSA-N 325.365 1.449 0 40 EDAB Cc1cc(CN2Cc3ccnn3[C@H](COc3ccccn3)C2)n(C)n1 585112089 KVTMBSQWULBYIK-KRWDZBQOSA-N 338.415 1.956 0 40 EDAB COc1ccc2oc(C(=O)NC[C@@H]3COC[C@@H](OC)[C@H]3O)c(C)c2c1 585286264 WAYZKFJJLVSIHV-LYRGGWFBSA-N 349.383 1.502 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccccn2)C1 585095806 MIYUOLRIYICSJU-INIZCTEOSA-N 341.415 1.524 0 40 EDAB CC(C)OCCC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 69918535 BDVCIYBRRPMBFW-UHFFFAOYSA-N 347.459 1.262 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@H](c1ccccc1)c1ccco1 42872421 VHHAGWFKGHZDII-DZGCQCFKSA-N 334.397 1.855 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@H](C)N2CCOCC2)n1 71865597 UJYMFIXNRSDDBH-DLBZAZTESA-N 334.464 1.602 0 40 EDAB CC[C@H]1CN(CC(=O)NCCc2ccsc2)CCN1C[C@@H](C)O 72279784 MFESKHGLHODKCU-ZBFHGGJFSA-N 339.505 1.184 0 40 EDAB Cn1cc(C(=O)NC2CCN(Cn3cnc4ccccc43)CC2)cn1 54520600 MTCANWJMFZHKHQ-UHFFFAOYSA-N 338.415 1.622 0 40 EDAB CNC(=O)CCc1cc([C@H]2CCCN(c3cnccn3)C2)nc(C)n1 72367021 MIOGYCVUPYNTHH-AWEZNQCLSA-N 340.431 1.638 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CS[C@H]2CCCCNC2=O)c1 78555564 OEJLUJOOGDJOCM-AWEZNQCLSA-N 342.486 1.839 0 40 EDAB NC(=O)C1CCC(CNC(=O)NCCCOCc2ccco2)CC1 95963997 ZGTLWRWPPDRNTJ-UHFFFAOYSA-N 337.420 1.777 0 40 EDAB C[C@H]1NC(C(=O)NCCc2cccnc2)=NN(c2ccccc2)C1=O 40516604 GDCRSZUQMXGKIL-CYBMUJFWSA-N 337.383 1.079 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)no1 585613851 SMGAYHQWBYHLIC-OKILXGFUSA-N 339.399 1.859 0 40 EDAB C[C@H]1CCN(C(=O)C[C@@H](N2CCOCC2)C(F)(F)F)CCS1 1615586975 TVQNQIPIDGUDMY-NWDGAFQWSA-N 340.411 1.994 0 40 EDAB COc1ccc(CCN2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 16741204 DNEPWNBFUCYWGR-STQMWFEESA-N 326.443 1.387 0 40 EDAB O=C1CCOC[C@]2(CN(Cc3ccccc3)C[C@H]2c2cccnc2)N1 19372642 YDKPBVXRJIXUEA-ICSRJNTNSA-N 337.423 1.956 0 40 EDAB CCn1ncc(-c2cc(C(=O)NC[C@@H](C)N3CCOCC3)no2)c1C 19524048 ABQUKJKGQAUGLH-GFCCVEGCSA-N 347.419 1.317 0 40 EDAB CCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929803 HHRMVHULFYNMST-UHFFFAOYSA-N 340.445 1.637 0 40 EDAB Cc1cc(NC(=O)Cn2nnc(-c3ccc4c(c3)OCO4)n2)no1 35314039 AMPDBEMAXYENQM-UHFFFAOYSA-N 328.288 1.004 0 40 EDAB C[C@@]12C[C@@]34C[C@H](O)[C@@H]5C(CO)(CO)CC(=O)C[C@]5(C)[C@@H]3C[C@H]1[C@H]2C4 253388459 WTOYNGQRGOLPNU-URDJQSABSA-N 334.456 1.760 0 40 EDAB biogenic,in-vitro O=C(c1cnn2c1OCCC2)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575607730 VWNKHPQREQXSSK-NSHDSACASA-N 349.778 1.403 0 40 EDAB Cc1cccc([C@@H](CNC(=O)N2CCOCC2)N2CCOCC2)c1 36097564 VCLWAXIPVGGPMW-QGZVFWFLSA-N 333.432 1.410 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccccc1CN(C)C 6847239 SKIFQDJSQUVDRR-CYBMUJFWSA-N 329.400 1.776 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(c2ncnc3ccc(Cl)cc23)CCO1 1889104501 XGLPLJDQYVOSHW-AWEZNQCLSA-N 332.791 1.767 0 40 EDAB Cc1nnc2ccc(N3CCC[C@@H](C(=O)N4CCSCC4)C3)nn12 1889111310 FGSJPSVVKKIYGX-CYBMUJFWSA-N 346.460 1.225 0 40 EDAB Cc1c(C(=O)Nc2nc(CC(N)=O)cs2)[nH]c2c1C(=O)CCC2 21495926 IWRQNJHVUQMUSV-UHFFFAOYSA-N 332.385 1.579 0 40 EDAB O=C(CNC(=O)c1ccc(Br)o1)NCC(F)(F)F 5273231 NAAHKMZUHUOHRD-UHFFFAOYSA-N 329.072 1.450 0 40 EDAB O=C(c1ccccc1C(F)(F)F)N1CC(N2C(=O)COC2=O)C1 240122568 WCZBATVTZDEDBT-UHFFFAOYSA-N 328.246 1.509 0 40 EDAB C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1C[C@H](O)CN1 37024974 BSUPASSHSJJZIZ-JIMOISOXSA-N 327.222 1.219 0 40 EDAB Cc1noc([C@H]2CO[C@@H]3CN(C(=O)Cc4ccc(F)cn4)C[C@@H]32)n1 1565542706 WNDLPVWOOXGGQW-HZSPNIEDSA-N 332.335 1.096 0 40 EDAB FC(F)(F)c1nnc2ccc(NCn3nnc4ccccc43)nn12 56294 UGTWCHZZXZJXIF-UHFFFAOYSA-N 334.265 1.957 0 40 EDAB Cc1ccc(C)c(CSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)c1 4571041 JWOVRGJCWWKDAB-UHFFFAOYSA-N 344.440 1.880 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2cc(C)cs2)C1 2055772023 RNIKKRYEHPOSFP-INIZCTEOSA-N 332.429 1.631 0 40 EDAB O=C1CC[C@H](N2Cc3c(F)ccc(Br)c3C2=O)C(=O)N1 1988184997 SJGFMNDUPKERCJ-VIFPVBQESA-N 341.136 1.349 0 40 EDAB O=C(NCCOCCN1C(=O)CCC1=O)Nc1c(F)cccc1F 575621102 YIAGVTRYQGYQFE-UHFFFAOYSA-N 341.314 1.252 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2cccnc2)C(=O)C1 585150355 RTXKBWLZZMVALP-UHFFFAOYSA-N 339.351 1.228 0 40 EDAB O=S(=O)(NC[C@@]1(O)C=CCCC1)c1ccc2c(c1)OCCO2 618256373 IFHCBQXPONCKMZ-OAHLLOKOSA-N 325.386 1.207 0 40 EDAB C[C@](O)(CNC(=O)Cn1c(=O)oc2ccccc21)Cc1ccsc1 618255588 TUCUTIOKGVFRGO-QGZVFWFLSA-N 346.408 1.766 0 40 EDAB COC(=O)[C@H](C)Sc1ncnc2c1nnn2-c1ccc(OC)cc1 4166793 XJLSJRIKWAMWMO-VIFPVBQESA-N 345.384 1.873 0 40 EDAB O=C(O)[C@@H]1CC=CC[C@@H]1C(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100474695 LZMUKDFGKJKUTL-APIJFGDWSA-N 342.395 1.461 0 40 EDAB Cc1ccc2c(c1)S[C@@H](C(=O)NC1CCN(CC(N)=O)CC1)C2 40490390 VPCWQGXGGXKEPF-OAHLLOKOSA-N 333.457 1.078 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@@H]1CCCc2c1cnn2C 31662126 FGSMKYBPOPDHSK-OKILXGFUSA-N 328.420 1.908 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCO[C@H]1CCCC[C@H]1C 40536064 FNJIJOYFUVGTQX-RISCZKNCSA-N 337.420 1.016 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)N(C(C)C)C1)CC2 40506219 YAOJJRSLLKSIFC-HNNXBMFYSA-N 346.427 1.845 0 40 EDAB CN(CC(=O)NC[C@@H]1CCOC1)S(=O)(=O)c1ccc(Cl)cc1 40516457 DZEHIEBDOJXDJN-NSHDSACASA-N 346.836 1.113 0 40 EDAB COc1nc(N(C)C)nc(-n2cnc(SCc3ccccc3)n2)n1 20728453 PHRJSBOAKMUKTE-UHFFFAOYSA-N 343.416 1.819 0 40 EDAB COc1ccc(CNC(=O)c2ccccc2-n2cnnn2)cc1OC 20719536 RICDKYKLRPKTOJ-UHFFFAOYSA-N 339.355 1.610 0 40 EDAB CN1C(=O)[C@H](NC(=O)C(=O)NC2CCCCCC2)c2ccccc21 101663496 NADIKRBYUIXUFA-OAHLLOKOSA-N 329.400 1.659 0 40 EDAB O=C(Cn1cccc2oc(=O)nc1-2)NC[C@H]1Cc2ccccc2O1 102110506 NUZCXQFQXDBZIQ-GFCCVEGCSA-N 325.324 1.061 0 40 EDAB CCN(C(=O)/C=C/c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 32903390 CNAZVOIZKCQXGY-DIECRNLCSA-N 337.397 1.464 0 40 EDAB COc1ccccc1CNC(=O)Cn1nnc(-c2ccc(F)cc2)n1 412277 RWMJRQFHAQPMPZ-UHFFFAOYSA-N 341.346 1.804 0 40 EDAB O=C(NC[C@@H]1CCOC1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 41367022 MYFPPJUAUCRERM-XJKSGUPXSA-N 328.412 1.681 0 40 EDAB CCCn1c(N)c(N2CCC(Cc3ccccc3)CC2)c(=O)[nH]c1=O 2652804 YWCKMROLBKTHPW-UHFFFAOYSA-N 342.443 1.988 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(C[C@H]3CCCO3)CC2)c(C)s1 72271202 PZDCXJJKEQITRI-CQSZACIVSA-N 344.502 1.850 0 40 EDAB CCCc1n[nH]c([C@H]2CN(Cc3csc(COC)n3)CCO2)n1 76049546 XVZUIWHMAAVRAV-GFCCVEGCSA-N 337.449 1.934 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)c2ccc(S(C)(=O)=O)o2)no1 76043130 VAUGELYSOIVUPA-SECBINFHSA-N 325.346 1.352 0 40 EDAB C[C@@H]1CN(C(=O)c2nn(C)cc2I)C[C@@H](C)O1 2734370 WGFHSNLGSKIBKK-HTQZYQBOSA-N 349.172 1.274 0 40 EDAB C[C@H](C(=O)N[C@H](C(N)=O)c1ccccc1)N(C)Cc1ccccc1 72288300 JDENPDJHBZJRDU-PBHICJAKSA-N 325.412 1.850 0 40 EDAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Cn1cnnn1 53425489 FWUWOAUOAQFYDW-SNVBAGLBSA-N 328.401 1.982 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCO[C@@H](c2nc(C)cs2)C1 104164096 WBRLFDMCJPRPGE-DVDIPCOMSA-N 349.460 1.492 0 40 EDAB O=C(NCCCC(=O)N1Cc2ccccc2C1)NC[C@H]1CCCO1 72278026 PJAMDWNIUDMJPS-MRXNPFEDSA-N 331.416 1.787 0 40 EDAB COc1ccc(C(=O)[C@@H](C)n2cnc3c2c(=O)[nH]c(=O)n3C)c(F)c1 4606916 STUIHWQAIBPNGD-MRVPVSSYSA-N 346.318 1.015 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCN(Cc2cn3ccccc3n2)CC1 22926328 QLSNKASRSUUNGW-MRXNPFEDSA-N 341.459 1.463 0 40 EDAB Cc1csc(=O)n1CCC(=O)OCC(=O)N1CCc2ccccc21 7987696 TYBQPYJYBUITLN-UHFFFAOYSA-N 346.408 1.741 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 54460790 DTXLYKKIYHZQTP-HZPDHXFCSA-N 328.420 1.057 0 40 EDAB NC1=Nc2nc3ccccc3n2[C@H](c2cnc(N3CCCC3)nc2)N1 54681285 JNMTZEDTVDOCGQ-CQSZACIVSA-N 334.387 1.523 0 40 EDAB O=C(NCCn1ccnc1)NC[C@@H]1CN(Cc2ccccc2)CCO1 43142667 JHBBTAJPODRNEI-QGZVFWFLSA-N 343.431 1.083 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccccn1 43181403 GPSROWFDISQMBZ-UONOGXRCSA-N 326.404 1.901 0 40 EDAB Cc1nc(CN2CCN(C(=O)NC3CCN(C)CC3)CC2)cs1 43179838 RVSDMUZRRIJFFT-UHFFFAOYSA-N 337.493 1.373 0 40 EDAB CC(C)[C@H](C(=O)NCc1cccnc1N(C)C)N1C[C@H](C)O[C@H](C)C1 106153867 HILJEMNSEXOFBA-HLLBOEOZSA-N 348.491 1.898 0 40 EDAB CCc1c(C)nn2c(O)cc([C@@H]3CCN(C(=O)c4cc[nH]n4)C3)nc12 100727961 JTPLZPQJARZDKM-LLVKDONJSA-N 340.387 1.659 0 40 EDAB Cc1cc(NC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)n(C)n1 43433532 CCHFZYPFRCEUBP-INIZCTEOSA-N 343.431 1.924 0 40 EDAB C[C@H](O)CN1CCN([C@H](C)C(=O)NCCC2=CCCCC2)C[C@@H]1C 106868070 RHIINXUTKJDJGA-YESZJQIVSA-N 337.508 1.769 0 40 EDAB Cc1nc2ccccc2n1CC(=O)N1CCN(c2ncccn2)CC1 12525192 JXYXFPSGWMJJBX-UHFFFAOYSA-N 336.399 1.484 0 40 EDAB COC(=O)Cn1cc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)cn1 55915753 UGBXNRAMLFQYKB-UHFFFAOYSA-N 341.371 1.894 0 40 EDAB CC(=O)N1CCN(c2c(Cl)ccc3sc(NN)nc23)CC1 57327937 CMSLKLXBADFABK-UHFFFAOYSA-N 325.825 1.904 0 40 EDAB O=C(NCCNc1ncccn1)c1ccc(OC[C@@H]2CCCO2)cc1 47992935 XDKZFDQFPXQANX-INIZCTEOSA-N 342.399 1.876 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2cnc(C)s2)C1 84281294 NYWCQTVSIPLGFH-ZDUSSCGKSA-N 335.433 1.766 0 40 EDAB CCCCNC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 26939411 QUNQHJHJZYNGRW-ZDUSSCGKSA-N 349.456 1.764 0 40 EDAB CC(C)(O)[C@H]1CCCN1C(=O)NCCCc1nnc2ccccn12 97114677 UTYYNJAMLPLSHL-CYBMUJFWSA-N 331.420 1.607 0 40 EDAB COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@@H]1CCO[C@H]1O2 2029389 WPCVRWVBBXIRMA-QPFGOUBPSA-N 330.292 1.737 0 40 EDAB endogenous,in-man CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 56073329 WFYDGKUYQBKRTL-JTQLQIEISA-N 348.371 1.864 0 40 EDAB O=C(NCCCOC[C@@H]1CCCO1)c1cnn(-c2ccccc2)n1 44872761 ZOTVJFKYXJVKSS-HNNXBMFYSA-N 330.388 1.583 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cnc(-c2ccccc2)nc1 58295671 GCIUZKQTAHYDFX-LBPRGKRZSA-N 331.397 1.308 0 40 EDAB O=C(CC(F)(F)F)N1CCN(C(=O)NCc2ccccn2)CC1 58219096 WNPAJEPGAQBJCI-UHFFFAOYSA-N 330.310 1.388 0 40 EDAB O=S(=O)(NCCSc1nnnn1C1CC1)c1ccccc1 48188737 MVDGNDSGKOCIKK-UHFFFAOYSA-N 325.419 1.079 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)OCC(F)(F)F 44980486 WXEJFRKKGXMASW-UHFFFAOYSA-N 340.323 1.725 0 40 EDAB Cc1nc(CCNC(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cs1 44953709 OXVNCEKYPHNHEN-YNEHKIRRSA-N 340.493 1.791 0 40 EDAB CCC1(CC)NC(=O)N(C[C@H](O)COc2ccc(C(C)=O)cc2)C1=O 48291127 KMLYFCBYYDTYIG-AWEZNQCLSA-N 348.399 1.740 0 40 EDAB NC(=O)[C@@H](c1ccccc1)N1CCC(c2ccnn2CCO)CC1 58343762 MORALAUZDDDRCZ-QGZVFWFLSA-N 328.416 1.281 0 40 EDAB COc1cc(F)c(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1OC 27957239 ZWXCLTKQOMNQKZ-UHFFFAOYSA-N 343.380 1.397 0 40 EDAB CC(C)[C@H](CNS(=O)(=O)c1cccc(F)c1)N1CCOCC1 12735065 WMMUTWWMUSFJJS-HNNXBMFYSA-N 330.425 1.461 0 40 EDAB C[C@@H](C(=O)NCCN(C)C)N1c2cccc3cccc(c23)S1(=O)=O 10111631 YTJJHPDSISQBPE-LBPRGKRZSA-N 347.440 1.415 0 40 EDAB CCCn1nc(C(=O)O[C@@H]2C[C@@H](C)OC2=O)c2ccccc2c1=O 12785471 TZRGIDRDZNLPEV-ZWNOBZJWSA-N 330.340 1.667 0 40 EDAB Cc1cc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)s2)n[nH]1 37008941 ZNTLIURIWKAKSP-UHFFFAOYSA-N 326.447 1.383 0 40 EDAB Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 12894503 BGWVANBHKBNYRW-STQMWFEESA-N 333.413 1.114 0 40 EDAB biogenic CN(C)C1(CNC(=O)c2ccc(-n3cnnn3)cc2)CCCCC1 3427773 ARNVUSUHTURWHW-UHFFFAOYSA-N 328.420 1.657 0 40 EDAB O=C(NC1CC1)c1ccccc1NC(=O)c1nccnc1C(=O)O 71287101 LUSKXVAVXZAIIZ-UHFFFAOYSA-N 326.312 1.319 0 40 EDAB CCOCCOc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 4083862 VFJPAQXUSGWEIX-UHFFFAOYSA-N 346.383 1.899 0 40 EDAB biogenic CCOC(=O)c1ccccc1NC(=O)COC(=O)C1=COCCO1 4165695 FVRCGLCXCKMWKI-UHFFFAOYSA-N 335.312 1.233 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 96000587 XOVKQSVIYWNPIQ-CYBMUJFWSA-N 335.385 1.602 0 40 EDAB CC[C@@H](Sc1nnc(O)[nH]c1=O)C(=O)NCc1ccc(C)cc1 71405393 NTZBFWHYONRDBG-LLVKDONJSA-N 334.401 1.366 0 40 EDAB Cc1cccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 9364146 FNASQAZAKVAJAC-CYBMUJFWSA-N 349.412 1.099 0 40 EDAB CCCCNC(=O)[C@H](C)NC(=O)N1CCn2c1nc1ccccc12 6672429 PTTYZCFLVGDZOA-LBPRGKRZSA-N 329.404 1.871 0 40 EDAB CC1(C)Cc2c(sc(NC(=O)N3CCNCC3)c2C(=O)O)CO1 6661772 GMTJOENWUQBASB-UHFFFAOYSA-N 339.417 1.735 0 40 EDAB Cc1cc(=O)c(O)c(CN2CCN(c3ccc(F)cc3)CC2)n1C 79501617 BGXGVKVJKKRMCT-UHFFFAOYSA-N 331.391 1.861 0 40 EDAB CCOC(=O)C(C)(C)NC(=O)CCc1c(C)nc2ncnn2c1C 66530675 TYKDQOGZBXKLRI-UHFFFAOYSA-N 333.392 1.132 0 40 EDAB CN(C)C(=O)CN(Cn1nccc1-c1ccncc1)CC(F)(F)F 67094255 NVELJLMLZQQIHC-UHFFFAOYSA-N 341.337 1.855 0 40 EDAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(C[C@@H]2CCOC2)C3)CC1 72389545 PRVLFOHMXQMTAW-AWEZNQCLSA-N 332.448 1.401 0 40 EDAB CC(=O)Nc1ccc(CC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 7118565 IDFBJPGIJQGMMB-UHFFFAOYSA-N 327.384 1.809 0 40 EDAB CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)COC2 72300172 ZDPMDABIWHUEAZ-JKSUJKDBSA-N 336.457 1.964 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)Nc3cccc(F)c3)nn12 7562872 XMLUWEYDVSLWTJ-UHFFFAOYSA-N 329.291 1.367 0 40 EDAB CNC(=O)Cn1cc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cn1 68108580 KIKHGEOYQRAFID-UHFFFAOYSA-N 345.790 1.945 0 40 EDAB COC(=O)CN(CC(=O)OC)C(=O)[C@H](C)Sc1ccccc1 68302839 XKDSUHXZQBCQTO-NSHDSACASA-N 325.386 1.342 0 40 EDAB CNC(=O)c1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 7814038 BFWNCHPOQTWSLY-UHFFFAOYSA-N 346.408 1.843 0 40 EDAB CCCNC(=O)NC(=O)CN(C)CC(=O)Nc1ccccc1CC 8170722 OJVGSTQFNPPADP-UHFFFAOYSA-N 334.420 1.355 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)CC(=O)Nc3ccncc3)C2)no1 71870548 QLCHXHYSMUGIGT-OAHLLOKOSA-N 344.419 1.308 0 40 EDAB Cc1nn(C)c(Cl)c1CSc1nnc(C(F)(F)F)n1N 71804177 UAYAHKIDXDXPRV-UHFFFAOYSA-N 326.735 1.998 0 40 EDAB COc1ccc(CCN2CCN(Cc3ccn(C)c(=O)c3)CC2)cc1 71836940 KCKPHXZBYYTFTO-UHFFFAOYSA-N 341.455 1.754 0 40 EDAB O=c1oc(-c2ccco2)nn1CCn1cc(Br)cn1 71893943 SVLAXIUYHLGZAQ-UHFFFAOYSA-N 325.122 1.756 0 40 EDAB NC(=O)COc1ccc(/C=C/C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 71821201 CKUYWAJVXHLDSU-RRUDCUFVSA-N 344.411 1.734 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 71881073 VYGPAGLIMXWXND-GOEBONIOSA-N 338.835 1.559 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)NCCOc1ccc2c(c1)OCO2 71806543 DTJKSKYAKUUFNV-ZDUSSCGKSA-N 349.387 1.056 0 40 EDAB Cc1nc(CN2CCC[C@@H](N[C@@H](C)C(=O)NCc3ccco3)C2)no1 71877572 YIXOHBWQHXKWQK-GXTWGEPZSA-N 347.419 1.230 0 40 EDAB Cc1ncncc1C(=O)N1CCCN(Cc2cnn(C(C)C)c2)CC1 69452915 KLAIKHVTDFIFIO-UHFFFAOYSA-N 342.447 1.911 0 40 EDAB CCc1nnc2n1CCN(Cc1csc(N(CC)C(C)=O)n1)C2 69453161 XREUDYWVXXQQMD-UHFFFAOYSA-N 334.449 1.686 0 40 EDAB COCCOCCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 69463179 NPWSVPNDCFCFDD-QGZVFWFLSA-N 348.443 1.389 0 40 EDAB O=C(c1cc(-c2cccnc2)on1)N1CCC[C@H](N2CCNC2=O)C1 71841676 UYTRTKNOUZUYEX-ZDUSSCGKSA-N 341.371 1.366 0 40 EDAB C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CCCO1 69509449 QGERTYFWGWOFKB-GMSGAONNSA-N 347.293 1.016 0 40 EDAB CCc1nnc2n1CCN(C[C@@H](O)CN(C)Cc1ccccc1)C2 69588243 KCEQKCOMXKZTEV-INIZCTEOSA-N 329.448 1.149 0 40 EDAB CCOc1cccc(C(=O)NCCS(=O)(=O)Nc2ccccn2)c1 69616118 SHVCTKZNRWLVID-UHFFFAOYSA-N 349.412 1.652 0 40 EDAB CC[C@](NC(=O)CN1CCCCCC1=O)(C(=O)OC)c1ccccc1 69615326 HXDNCCMDMFGBPC-LJQANCHMSA-N 346.427 1.984 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cn1ccc(C(F)(F)F)n1 69624977 VMJNHZRUUJDKMD-RYUDHWBXSA-N 330.354 1.987 0 40 EDAB O=C(Cn1nnc2ccccc21)N1CCN(Cc2ccncc2)CC1 69757784 OSOSBFVLKCSMCA-UHFFFAOYSA-N 336.399 1.171 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)NS(=O)(=O)c2ccc(F)cc2F)cn1 69775879 FKHRSPDITMFPGV-GHMZBOCLSA-N 341.339 1.307 0 40 EDAB COC(=O)c1cccc(CS(=O)(=O)NCc2csc(C)n2)c1 69770597 ZHRYVHSQDMXZQF-UHFFFAOYSA-N 340.426 1.858 0 40 EDAB CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccn(-c2cccc(F)c2)n1 69845287 CDRROSHVHNSMIT-LLVKDONJSA-N 339.392 1.564 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)N1CCCN(C(C)C)CC1 69893042 UBRCSZHVISFRBX-UHFFFAOYSA-N 333.432 1.885 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N[C@@H]2CCc3nccn3C2)n1 72278665 VYLYYWZOHGEIRG-LLVKDONJSA-N 348.838 1.918 0 40 EDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(Cn2cccn2)cc1 84456506 SKDFFPTXRQELIA-MRXNPFEDSA-N 341.415 1.920 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccc3c(c2)OCCO3)c2ccccc2O1 95377452 DTKIWHLYZOMMHU-SFHVURJKSA-N 340.379 1.971 0 40 EDAB COC(=O)c1sc2nc(C)nc(NC[C@H]3COCCO3)c2c1C 95356852 ZQXNFUJJJOYBSH-JTQLQIEISA-N 337.401 1.922 0 40 EDAB CCc1cnc(CCNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)s1 95436956 XXNWUAAKNGJJFR-CYBMUJFWSA-N 336.461 1.701 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)N(C)CC(C)(CO)CO)c1C 95454391 LTVDBNKKMHFTKB-UHFFFAOYSA-N 329.462 1.532 0 40 EDAB C[C@H](Cc1cccs1)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 98010455 XCDDGNLAEAHLOF-BXUZGUMPSA-N 347.444 1.517 0 40 EDAB Cc1cccc(C(=O)N2CCC(c3ccnn3CCO)CC2)c1O 95986009 RHWURXFFWUHJCB-UHFFFAOYSA-N 329.400 1.909 0 40 EDAB CCc1nnc([S@@](=O)CC(=O)NCCc2c(F)cccc2F)[nH]1 95966747 FGTQSVRBZDXOBF-HSZRJFAPSA-N 342.371 1.112 0 40 EDAB COc1ccc(-n2cc(CNc3cn[nH]c(=O)c3Cl)nn2)cc1 88740504 SFLCRRPDWRHUFH-UHFFFAOYSA-N 332.751 1.625 0 40 EDAB Cc1nsc2ncc(C(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)cc12 89568253 JTTLZYOVDFHEFZ-HUUCEWRRSA-N 346.456 1.671 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN([C@@H](C)c2cccnc2)C1 89718291 VQCHNVKDONZYNN-BLLLJJGKSA-N 329.404 1.957 0 40 EDAB Cc1nc2ccccc2c(=O)n1CC(=O)N1C[C@H](C)[C@H](N(C)C)C1 89729915 PNOMFYNYAIFQNH-BLLLJJGKSA-N 328.416 1.113 0 40 EDAB CCN(CC)C(=O)[C@@H](C)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2 89967569 OUYPIYCQMMFSSV-MNOVXSKESA-N 347.385 1.749 0 40 EDAB O=C(c1ccc(OCC(F)(F)F)cc1)N1CCN(CCO)CC1 75572339 KJJHZZMCAOJYED-UHFFFAOYSA-N 332.322 1.378 0 40 EDAB COC(=O)CCCc1nc(CN(C2CC2)[C@H](C)C(=O)OC)no1 75610339 KUGHBTULQWWJIB-SNVBAGLBSA-N 325.365 1.091 0 40 EDAB O=C(Cn1nnc(-c2ccco2)n1)N1CC[C@H](Nc2ccccc2)C1 67298577 ZQQSGZMNPYORBJ-AWEZNQCLSA-N 338.371 1.646 0 40 EDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1c(F)cccc1F 548210492 PKRUSSBICYOGQF-KCJUWKMLSA-N 335.328 1.123 0 40 EDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2nnnn2C2CC2)C1 548336422 IBSXDQOTMIESOD-OAHLLOKOSA-N 347.448 1.010 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)O 548533713 GRTVTLZYHPEFCL-PWSUYJOCSA-N 331.365 1.292 0 40 EDAB CCc1nsc(N2CCCN(C(=O)NCCn3cccn3)CC2)n1 174951520 FUNKUJAFPKIHEH-UHFFFAOYSA-N 349.464 1.219 0 40 EDAB Nc1nccnc1C(=O)NCc1cccnc1OCC(F)(F)F 32830094 XBHPBVIALTTXMG-UHFFFAOYSA-N 327.266 1.325 0 40 EDAB O=c1cccnn1CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 38517394 MQRRDGNQBFEKOJ-UHFFFAOYSA-N 347.440 1.491 0 40 EDAB Cc1nn(CC(=O)O)c(C)c1[C@@H]1COCCN1C(=O)OC(C)(C)C 217457758 UMDBNDZXADPZGU-LBPRGKRZSA-N 339.392 1.893 0 40 EDAB CC(C)(C)c1nc(CSCC(=O)N[C@H]2CCCCNC2=O)no1 78555740 KBEPZMKEDJKYFI-JTQLQIEISA-N 340.449 1.385 0 40 EDAB CC[C@H](C)NC(=O)c1ccn(Cn2cc(Br)cn2)n1 32611019 KKGMLTPWHYRJBG-VIFPVBQESA-N 326.198 1.876 0 40 EDAB CCN1Cc2nc(OC)c(CNC(=O)C[C@H]3CCCO3)cc2C1=O 71416380 DPHZKEYMHNJPBV-GFCCVEGCSA-N 333.388 1.251 0 40 EDAB CN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)c1cn(C)cn1 72720811 DXIXBGWXYMJDSA-UHFFFAOYSA-N 340.352 1.716 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1NC1CC1 217630947 IYXZFOXIMSGZRU-LLVKDONJSA-N 340.401 1.416 0 40 EDAB O=C([C@@H]1CCCN(C[C@@H](O)COCc2ccccc2)C1)N1CCCC1 79350320 YDLWJHJFJNCTRJ-RTBURBONSA-N 346.471 1.899 0 40 EDAB CCCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38857532 LMLHYAFAYLMJRE-ZDUSSCGKSA-N 346.836 1.783 0 40 EDAB O=C(CSc1nncc2ccccc12)N[C@H]1CCS(=O)(=O)C1 30831860 FSFHPKHBFLGPED-NSHDSACASA-N 337.426 1.025 0 40 EDAB Cc1ccc(NC(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)nc1 79484250 ONXLWAYPFSCHEF-ZDUSSCGKSA-N 348.428 1.815 0 40 EDAB C[C@H](NC(=O)NCc1cc(Br)ccc1F)C(=O)N(C)C 46926946 IWVPJRWKKLZWCR-QMMMGPOBSA-N 346.200 1.864 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1CCc1cnc(Br)cn1 72363367 DVJAMCACVJLRIS-JTQLQIEISA-N 334.239 1.596 0 40 EDAB COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1c(O)cc(C)[nH]c1=O 72404364 ZLIRFOUXIYZKJT-LBPRGKRZSA-N 331.324 1.782 0 40 EDAB CCCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 41318027 LNSILMZWFCEABZ-UHFFFAOYSA-N 339.461 1.153 0 40 EDAB CN(C)c1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccccc2)cn1 569695045 DJDAPUUTHZEVAX-AWEZNQCLSA-N 349.412 1.642 0 40 EDAB COc1ccc(O[C@H]2CCN(C(=O)COc3ccccc3)C2)nn1 225434591 IAMFKUQEAGYZEI-AWEZNQCLSA-N 329.356 1.544 0 40 EDAB Cc1cc(-c2noc(CNC(=O)CCc3c(C)n[nH]c3C)n2)no1 225813609 HPGKIFGXXUBTQG-UHFFFAOYSA-N 330.348 1.622 0 40 EDAB O=C1CC[C@@H](NC(=O)c2ccc(Cn3cccn3)cc2)[C@H](C2CC2)N1 579334891 ANAFJAGRTANZDJ-AEFFLSMTSA-N 338.411 1.718 0 40 EDAB O=C([C@H]1CCOC1)N1CCc2ncc(CNc3ccccn3)n2CC1 96197128 BPISCZMWZPMDAS-AWEZNQCLSA-N 341.415 1.311 0 40 EDAB O=C(N[C@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12)c1cccnc1 96186905 RICLZYROUICJLH-SQWLQELKSA-N 344.440 1.700 0 40 EDAB CC1(C)C(=O)N[C@H]1C1CCN(S(=O)(=O)Cc2ccccc2)CC1 583651773 SHDMVRRFLPYXJV-HNNXBMFYSA-N 336.457 1.753 0 40 EDAB CN(C)C(=O)c1ccc(N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)nc1 583617693 FYLQLTDWWJYSGY-PBHICJAKSA-N 339.399 1.562 0 40 EDAB CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 96225533 KVPUOPLLLAFCCB-KRWDZBQOSA-N 330.388 1.309 0 40 EDAB Cc1noc(CNC(=O)N2CCO[C@@H](CCc3ccccc3)C2)n1 96502697 QKSRVGNOCYDHFS-HNNXBMFYSA-N 330.388 1.921 0 40 EDAB COc1ncccc1CN1CCc2[nH]nc(C(=O)N3CCCC3)c2C1 96066591 RCZNECURLLXQNS-UHFFFAOYSA-N 341.415 1.608 0 40 EDAB CCN1CCN(C)C(=O)C12CCN(C(=O)Cc1ccsc1)CC2 96230251 TZVWCUVFLOGYME-UHFFFAOYSA-N 335.473 1.446 0 40 EDAB Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(CC(F)F)C1CC1 96460693 PLLOAHGXALDEMN-UHFFFAOYSA-N 336.360 1.708 0 40 EDAB Cc1ccc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3CC2)cn1 96255208 GKFCYSTUFVICQT-UHFFFAOYSA-N 348.410 1.822 0 40 EDAB CCCS(=O)(=O)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 96202285 ZXEDOBDAUNQTGD-INIZCTEOSA-N 339.461 1.350 0 40 EDAB Cc1noc([C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2c2ccccc2)n1 245174463 YNFUEBHRZWFAIO-JKSUJKDBSA-N 337.383 1.984 0 40 EDAB CN([C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1Cc2ccccc2[C@H]1O 245305030 HRADIZDXACUHCR-MGPQQGTHSA-N 328.334 1.740 0 40 EDAB Cc1cccc(F)c1S(=O)(=O)N1CC(CN2CCN(C)CC2)C1 585134600 BMIVFQPFGVZOSI-UHFFFAOYSA-N 341.452 1.002 0 40 EDAB CCCCS(=O)(=O)N1CCC(O)(Cc2nc(C)cs2)CC1 585137957 DIYXEVZMHDUHMC-UHFFFAOYSA-N 332.491 1.951 0 40 EDAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc2nc(Cl)ncc2s1 585141606 DJXDMDARVZIRGZ-ZCFIWIBFSA-N 348.837 1.148 0 40 EDAB CC[C@H]1C(=O)NCCN1Cc1snc(OC)c1Br 585117738 VHKBKPRFKYTGKT-ZETCQYMHSA-N 334.239 1.625 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2snnc2C(C)C)n1 257300182 RTFUHTKIKXYDMH-LLVKDONJSA-N 349.416 1.679 0 40 EDAB CN(CCOc1ccc(F)cc1)C(=O)c1cnc2ccccn2c1=O 46810864 JMUGWPWJPJBOQT-UHFFFAOYSA-N 341.342 1.985 0 40 EDAB CCN[C@@H]1CCOC2(CCN(S(=O)(=O)c3cccnc3)CC2)C1 257283313 OXTJDCTYUAGEHA-CQSZACIVSA-N 339.461 1.393 0 40 EDAB Cc1cn(C)c([C@@H]2CCN(C(=O)CCn3nnc4ccccc43)C2)n1 257307910 TUQIYGSWXLMPTD-CQSZACIVSA-N 338.415 1.879 0 40 EDAB O=C(c1ccccc1NCc1nnnn1C1CC1)N1CCC[C@H](O)C1 267101263 KTYGZCHWVDTVQK-ZDUSSCGKSA-N 342.403 1.217 0 40 EDAB Cc1cc(C)n(-c2ccccc2CNC(=O)N[C@H]2C[C@H](O)[C@H](O)C2)n1 1615058199 YCPGVCNSXWOWGH-XGBSXSJOSA-N 344.415 1.173 0 40 EDAB CC1(C)CNC(=O)c2c(C(=O)N[C@H]3C[C@@H](N)C34CCC4)coc2C1 1615555867 YUMLGZVICRAMAU-OLZOCXBDSA-N 331.416 1.591 0 40 EDAB COc1ncncc1NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 296702735 VAGUTUDFWOIZML-NWDGAFQWSA-N 341.371 1.298 0 40 EDAB Cc1ncn(CC(=O)NC2CCN(c3nccs3)CC2)c(=O)c1C 96099834 VYLYJZZHJMVTQN-UHFFFAOYSA-N 347.444 1.102 0 40 EDAB O=C(N[C@H]1Cc2cncn2C1)c1ncccc1OCC(F)(F)F 585141687 WWEWVEBZAOVBRF-VIFPVBQESA-N 326.278 1.574 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)COc2ccccc2F)C1=O 65399435 UTNXRIOVDQMXLB-DIFFPNOSSA-N 348.330 1.626 0 40 EDAB COc1ccc(NC(=O)CN2CCNC(=O)C2(C)C)cc1Cl 65502205 CIQRMRGRKNNPIU-UHFFFAOYSA-N 325.796 1.498 0 40 EDAB O[C@H]1[C@H](NCC2CCCCC2)[C@H]2CO[C@H](O2)[C@@H]1n1cc(Cl)cn1 952844648 FBTTZKKSQCWFFK-DGXTUMSLSA-N 341.839 1.732 0 40 EDAB biogenic,in-vitro Cc1c(Br)c2ccccc2n1CC(=O)N(C)CC(N)=O 49248546 ADVGXYBXJFTAAS-UHFFFAOYSA-N 338.205 1.656 0 40 EDAB COc1ccc(-n2ccc(C(=O)N[C@@H]3CCN(C4CC4)C3)n2)cc1 57554937 SHBNAPIOXOQRQJ-CYBMUJFWSA-N 326.400 1.847 0 40 EDAB CN(C)C[C@H]1CSCCCN1S(=O)(=O)c1ccccc1F 90608952 AILSRNGKKIDBIF-LBPRGKRZSA-N 332.466 1.884 0 40 EDAB C[C@H](N[C@H]1COc2ccccc2C1)c1ccc(S(N)(=O)=O)cc1 91311896 HXWBHHFOSVNHTN-SWLSCSKDSA-N 332.425 1.988 0 40 EDAB CC(C)CS(=O)(=O)C1CN(C(=O)Cc2noc3ccccc23)C1 96380106 MDNQCBLJCGGUQU-UHFFFAOYSA-N 336.413 1.652 0 40 EDAB Nc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]43 100100078 NRGHCWQGTHPFTE-PWMJMLNLSA-N 349.434 1.675 0 40 EDAB COc1ccc(C(=O)N2CC3(CC(=O)N(CC4CC4)O3)C2)cc1F 1549161217 FRVORDTVAPBTQX-UHFFFAOYSA-N 334.347 1.603 0 40 EDAB CCN1OC2(CCN(C(=O)c3ccc(OC)cc3F)CC2)CC1=O 1549162630 SYVXUJBZAAIOFH-UHFFFAOYSA-N 336.363 1.993 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2CCCC2)c1C 5326382 ALBBIZLPOZJVIG-LBPRGKRZSA-N 336.388 1.976 0 40 EDAB Cn1ccnc1[C@]1(O)COC2(CCN(C(=O)c3cccs3)CC2)C1 12087367 YESJKMVUQBFVJS-QGZVFWFLSA-N 347.440 1.765 0 40 EDAB COCCC(=O)NC1CCC2(CC1)CNC(=O)c1cc(C)ccc1O2 19219181 GZIBWWWTBQEVJK-UHFFFAOYSA-N 346.427 1.951 0 40 EDAB Nc1cc2ccccc2nc1C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 19376226 JXJIUBKNGPUKPA-MRXNPFEDSA-N 338.411 1.802 0 40 EDAB CCn1ccc(C(=O)N2CCO[C@H](C(=O)N3CCCCCC3)C2)n1 19747174 NSUBVFRCZJWNBR-HNNXBMFYSA-N 334.420 1.147 0 40 EDAB CN1C[C@@H](C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)CC1=O 220768065 RUDIVLQQTDDJHL-AAEUAGOBSA-N 332.404 1.206 0 40 EDAB Cc1nc(C(=O)N2CC[C@H](Oc3ccc(N(C)C)nn3)C2)cs1 225443116 BURQQFGIDKISJW-NSHDSACASA-N 333.417 1.601 0 40 EDAB Cc1cc(CC(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)on1 643586045 SWXBCKFPBHPGEA-SZVBFZGTSA-N 342.395 1.672 0 40 EDAB CC(C)c1ccc(NC(=O)C[C@H](C(=O)O)N2CCN(C)CC2)cc1 22584897 IVUZYVDGUHPPDW-MRXNPFEDSA-N 333.432 1.839 0 40 EDAB O=C(COCc1ccccc1)NCC1CCN([C@@H]2CCOC2)CC1 575608901 WHAPMMQEZILUII-GOSISDBHSA-N 332.444 1.820 0 40 EDAB Cc1nc(N2C[C@@H]3CN(c4ncc(F)cn4)C[C@H]3C2)nc(O)c1F 1888855784 JLOFFCYWKLRYCJ-UWVGGRQHSA-N 334.330 1.131 0 40 EDAB COc1ccc(CC(=O)N[C@@H]2CCN(C3CCOCC3)C2)cc1OC 1888864079 HXJHBBPGLJOOPV-OAHLLOKOSA-N 348.443 1.616 0 40 EDAB CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N=C1C 1888999944 JQPCMMZHKDHFIS-UHFFFAOYSA-N 326.349 1.794 0 40 EDAB CCN=c1ccnc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)[nH]1 1889096060 RLBWZCPUKBLNSS-UHFFFAOYSA-N 341.463 1.744 0 40 EDAB CC(=O)N1CCC(N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)CC1 2037849921 MYYJSRUHJZUJBV-OALUTQOASA-N 332.444 1.902 0 40 EDAB CN1CCCC[C@]2(CN(C(=O)CCc3ccc(F)cc3)CCO2)C1=O 2037985277 DLJOOIAAHZFCKV-IBGZPJMESA-N 348.418 1.998 0 40 EDAB Cn1cnc(C(=O)N2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)n1 1565554879 IUXOEFGNIYLQBH-HNNXBMFYSA-N 331.401 1.146 0 40 EDAB O=C(NC1CCCC1)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713514 YWDGEXCDCFFGLP-CYBMUJFWSA-N 330.432 1.740 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@H]3[C@@H]2CC[C@@H]3Cn2cccn2)cn1 2055729686 WBGQVUSNJJKKGN-IXDOHACOSA-N 326.400 1.906 0 40 EDAB Cn1cc(C(=O)N2CCN(CC(F)(F)F)CC2)c(C(F)F)n1 535857033 VHPXPBQQOLWVCJ-UHFFFAOYSA-N 326.269 1.678 0 40 EDAB O=C(Cn1cnc2ccccc21)N1CCC[C@H](Oc2ccncn2)C1 575610773 YPNLJWGGDWUKOK-AWEZNQCLSA-N 337.383 1.896 0 40 EDAB C[C@@H](Sc1ncnc2[nH]cnc12)C(=O)Nc1ccc(C(N)=O)cc1 13578859 MCWWQKFHRLDOJX-MRVPVSSYSA-N 342.384 1.571 0 40 EDAB C=CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 35160159 WDFOUIPVCSPPTD-UHFFFAOYSA-N 330.793 1.485 0 40 EDAB CN1CCN(C(=O)c2cc(Cl)c(=O)n(Cc3ccccc3)c2)CC1 20405174 IKXMFOHIDNVOPJ-UHFFFAOYSA-N 345.830 1.938 0 40 EDAB O=C(NCCCCN1CCOCC1)c1cnn(-c2ccccc2)n1 40541037 CWKRJPQQAKLNCA-UHFFFAOYSA-N 329.404 1.110 0 40 EDAB CN(C)c1cc(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)ccn1 40512551 BIBZVWGXTFSHPW-OAHLLOKOSA-N 325.368 1.546 0 40 EDAB O=C(O)CN1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 32094336 SOVGEQIHVVCRSH-UHFFFAOYSA-N 332.429 1.777 0 40 EDAB C[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1C(=O)c2ccncc2C1=O 20714859 RMOZDNCHXNBMGU-VIFPVBQESA-N 335.323 1.003 0 40 EDAB C[C@H]1CN(C(=O)c2cc3c(=O)n4ccccc4nc3n2C)C[C@H](C)O1 387258 NSPQGTMMHPHNKP-RYUDHWBXSA-N 340.383 1.436 0 40 EDAB CN(Cc1ccc(Br)s1)C(=O)CSCC(N)=O 32810039 NKRRQCFZADRGIP-UHFFFAOYSA-N 337.264 1.688 0 40 EDAB Cc1nc2n(n1)C[C@H](NCCCOc1ccc3c(c1)OCO3)CC2 69951930 KVDBDZQCDRGARE-CYBMUJFWSA-N 330.388 1.689 0 40 EDAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(CC3CC3)C2)C1 69972000 DRHJDMNEWQHXEB-CVEARBPZSA-N 335.492 1.872 0 40 EDAB Cc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)n1 11907662 WAIMECRVEVAVTD-UHFFFAOYSA-N 347.444 1.187 0 40 EDAB COC(=O)c1nnn(-c2c(C=O)c(C)nn2-c2ccccc2)c1C 383868 FRRBJYMWAKKZQX-UHFFFAOYSA-N 325.328 1.669 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)C2(c3ccc(C)c(OC)c3)CC2)CC1 69920779 LJFOWOMDJCYKES-KRWDZBQOSA-N 346.471 1.950 0 40 EDAB Cc1nn(CC(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)c(C)c1Cl 76051166 KJLCCWVJAIULOK-BXUZGUMPSA-N 340.855 1.332 0 40 EDAB CCc1ocnc1C(=O)N1CCO[C@@H](c2nc(C(C)(C)C)n[nH]2)C1 76046443 VMBCHNJTPTUIBV-LLVKDONJSA-N 333.392 1.866 0 40 EDAB CCc1noc([C@H](C)N[C@@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)n1 76057995 PYZNDPQNTMXVHZ-RWMBFGLXSA-N 344.481 1.731 0 40 EDAB CN(C)[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)c1ccco1 21903018 QRVOEUYPLNZWRS-HNNXBMFYSA-N 340.383 1.409 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCC[C@@H](C)C1 33182653 VHDAORXOFYZVCZ-MNOVXSKESA-N 326.418 1.651 0 40 EDAB CCN(C(=O)c1ccc(-n2nccc2C)cc1)[C@H]1CC(=O)NC1=O 103389722 SMBXUTWIAGAMLO-AWEZNQCLSA-N 326.356 1.058 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O 4999927 SEKMQHMDNYBRHI-UHFFFAOYSA-N 341.342 1.961 0 40 EDAB CC(C)OCCCNC(=O)CN(c1ccccc1)S(C)(=O)=O 6344576 GBHAKTGOUXOIOU-UHFFFAOYSA-N 328.434 1.384 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cccc(C(N)=O)c2)n1 71870153 PZDUVUPYRIZTGD-INIZCTEOSA-N 326.400 1.904 0 40 EDAB Cc1cc(C(=O)Nn2cnc3ccc(Br)cc3c2=O)on1 8327161 RCSXFSYMYLTCBR-UHFFFAOYSA-N 349.144 1.839 0 40 EDAB O=C(CN1CCN(C(=O)N2CCCCC2)CC1)Nc1ccccc1 22873798 QMFLUQGUIKMWKH-UHFFFAOYSA-N 330.432 1.849 0 40 EDAB O=C(C[C@@H]1CCCO1)NCCS(=O)(=O)c1ccc(Cl)cc1 54228534 MXWNZERWDACTIW-LBPRGKRZSA-N 331.821 1.799 0 40 EDAB COCCN(CCOC)CC(=O)Nc1cc(OC)cc(OC)c1 23329950 AMLOMZJYKBOIPH-UHFFFAOYSA-N 326.393 1.237 0 40 EDAB CCCn1nc(C(=O)N2CCN(Cc3cccs3)CC2)ccc1=O 23735534 RYNRVXJEUQJBKS-UHFFFAOYSA-N 346.456 1.673 0 40 EDAB Cc1cc(N2CCN(C(=O)c3cc(C)nn3C)CC2)nc(C(C)C)n1 71817195 PONBPQAENBQIFV-UHFFFAOYSA-N 342.447 1.913 0 40 EDAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2nnn(CC)n2)c1 57316642 KNEWILZMLJHBPB-SNVBAGLBSA-N 348.432 1.997 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCc1ccc(Cl)cc1 12538258 HNLWFPWDAWWCKW-GJZGRUSLSA-N 346.814 1.950 0 40 EDAB COC(=O)NCC(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 55260715 ASLRVFBPBZUUAK-INIZCTEOSA-N 333.432 1.542 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)NCc2ccccc2Cl)C[C@@H]1C 106868004 KRBSFJLOSAURIM-KBPBESRZSA-N 339.867 1.343 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3[nH]cnc3c2)cc1 12551932 PSVHRWSYRCLTGO-UHFFFAOYSA-N 344.396 1.183 0 40 EDAB O=C(NCCNC(=O)[C@@H](c1ccccc1)N1CCSCC1)C1CC1 58782721 FHHCTESUROXWME-MRXNPFEDSA-N 347.484 1.419 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC(N2CCNC2=O)CC1 55786188 MMUKNIDYBYGOCG-WBMJQRKESA-N 345.399 1.231 0 40 EDAB CCCc1noc(CN2CCN(c3ncnc4c3cnn4C)CC2)n1 25454397 HCBFPYTUYZGKRX-UHFFFAOYSA-N 342.407 1.021 0 40 EDAB COc1ccc(C2(CNC(=O)[C@H]3CCC(=O)NC3)CCOCC2)cc1 56452603 KLEGQSZWIBKTPD-AWEZNQCLSA-N 346.427 1.386 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]1O2 107264513 LYZFXMQBIBWVGS-RCCFBDPRSA-N 338.411 1.382 0 40 EDAB CCCN(Cc1nc(-c2ccco2)no1)[C@H]1CCS(=O)(=O)C1 26662688 PBRGKNSPRRTUNV-NSHDSACASA-N 325.390 1.729 0 40 EDAB CCCNC(=O)Cn1c(N2CCc3ccccc3C2)nc(C)cc1=O 57506627 MFLIGZYQPKRNAQ-UHFFFAOYSA-N 340.427 1.641 0 40 EDAB CCn1cc(-c2cc(C(F)F)n3nc(CCC(=O)O)nc3n2)cn1 35655570 FXHQTUVDLGYYBL-UHFFFAOYSA-N 336.302 1.963 0 40 EDAB O=C(Nc1ccnc2ccnn12)[C@H]1CC(=O)N(Cc2ccccn2)C1 108715116 QPIACMDVNZNLJT-LBPRGKRZSA-N 336.355 1.112 0 40 EDAB O=C(O)C[C@@H](SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)O 3287680 WZOKCCBWUQFHQG-SNVBAGLBSA-N 327.314 1.015 0 40 EDAB COc1cccc(CN2C[C@H](C(=O)N3CCCC3)[C@H]3OCC[C@H]32)n1 108526733 ATRDBJOFWFNPEV-ZMSDIMECSA-N 331.416 1.302 0 40 EDAB CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1ccc(=O)[nH]c1=O 58214568 XVNJLPJVJRDNRJ-UHFFFAOYSA-N 341.289 1.214 0 40 EDAB O=C(CNC(=O)[C@H]1CC=CCC1)Nc1cccc2c(=O)[nH]nc(O)c12 58249923 MLDXMNACOVLHAC-JTQLQIEISA-N 342.355 1.040 0 40 EDAB CC(C)c1ccc(O)c(C(=O)N2CCN(CC(=O)N(C)C)CC2)c1 58247535 GQKXXELHTZVNNO-UHFFFAOYSA-N 333.432 1.362 0 40 EDAB O=C1CC[C@@H](C(=O)Nc2nc(CN3CCCCCC3)cs2)CN1 48263192 WXHOXBBYJSMLJN-GFCCVEGCSA-N 336.461 1.984 0 40 EDAB COc1ccccc1-n1nnnc1SCC(=O)NC[C@@H]1CCCO1 10886057 HQVCMDBLPDQEGM-NSHDSACASA-N 349.416 1.058 0 40 EDAB NC(=O)[C@H]1CCCCN1Cc1nc(COc2ccc(F)cc2)no1 44906667 FONOQNAZKBZATK-CYBMUJFWSA-N 334.351 1.628 0 40 EDAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207840 VTTYTHKZBNWSFU-SNVBAGLBSA-N 348.852 1.884 0 40 EDAB O=C(c1ccc(Cn2cncn2)cc1)N1CCC2(CC1)OCCO2 24997875 YBBORBNQUCCTRL-UHFFFAOYSA-N 328.372 1.306 0 40 EDAB CC(C)(C(=O)Nc1cnn(CC(N)=O)c1)c1ccc2c(c1)OCCO2 58808014 HDZSQCMEHPQJII-UHFFFAOYSA-N 344.371 1.056 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NC2CC2)cc1 28681160 AYVHCZMDCVCUQH-UHFFFAOYSA-N 335.385 1.984 0 40 EDAB CN(Cc1ccc(Cl)cc1Cl)C(=O)Cn1ccc(=O)[nH]c1=O 12757868 YSUDVASJFJKAHV-UHFFFAOYSA-N 342.182 1.502 0 40 EDAB NC(=O)[C@H]1CC(C(=O)NCc2ccco2)=NN1c1ccc(F)cc1 29402296 GSOKVSSCUJRPNT-CQSZACIVSA-N 330.319 1.155 0 40 EDAB COc1ccc(CCNC(=O)COc2ccccc2C(N)=O)cc1 3484058 FVRJTBMSASOVJZ-UHFFFAOYSA-N 328.368 1.532 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC(F)(F)F)C2=O)cc1 3461079 LEYPEZGAADFONO-CQSZACIVSA-N 343.305 1.441 0 40 EDAB C[C@]1(NC(=O)CCc2ncc(-c3ccccc3)o2)CCS(=O)(=O)C1 12939218 IATHOLQVGXIKGY-KRWDZBQOSA-N 348.424 1.968 0 40 EDAB CCCNc1nnc(SCC(=O)NCCCC(=O)OCC)s1 12983112 YCQUVDADBNEXNV-UHFFFAOYSA-N 346.478 1.912 0 40 EDAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nccs1)C2=O 13041451 RKRPSYFYTZHLAO-UHFFFAOYSA-N 336.417 1.972 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccc(F)cc2)CC1 8707537 HLCXOMGYODGVID-GFCCVEGCSA-N 345.426 1.542 0 40 EDAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 19079585 GSRIZSKJAXZJKA-JTQLQIEISA-N 341.414 1.408 0 40 EDAB O=C(NCC1CCC1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 71186239 SJYDJJPYFRNGTK-CQSZACIVSA-N 330.384 1.936 0 40 EDAB CNC[C@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 71144419 OQFKORALSJYSNR-SNVBAGLBSA-N 333.251 1.679 0 40 EDAB Cn1ncc2c(N3CCOCC3)nc(NCCc3ccccc3)nc21 4375041 JZPVVWQGZRKUFV-UHFFFAOYSA-N 338.415 1.855 0 40 EDAB Cc1nc2n(c1C)CCN(CC(=O)Nc1sccc1C(N)=O)C2 65478025 CYGGBRGKQHTMLK-UHFFFAOYSA-N 333.417 1.115 0 40 EDAB Cn1ncc2c(N3CCC(CC(=O)N4CCCC4)CC3)ncnc21 65435157 CGFRYHFMKHKWKI-UHFFFAOYSA-N 328.420 1.592 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 6340346 ICNCQXIQXPSHFL-HOTGVXAUSA-N 330.409 1.754 0 40 EDAB COCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241345 FPSQHQJNSAHGKO-UONOGXRCSA-N 326.780 1.001 0 40 EDAB O=C(CN1CCCC1=O)N[C@H](Cc1ccccc1)CN1CCCCC1 65551373 JGLQOZNQVMNFML-GOSISDBHSA-N 343.471 1.822 0 40 EDAB Cc1cc(C)cc(OCCN(C)Cc2nc(N)nc(N(C)C)n2)c1 14140105 XNXQDZLCEUCXFG-UHFFFAOYSA-N 330.436 1.647 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3nccc4ccccc34)CC2)n1 65625364 INWDDUZKFWVZON-UHFFFAOYSA-N 349.394 1.996 0 40 EDAB Cc1cc(C(=O)COC(=O)c2nc3nccc(C)n3n2)c(C)n1C 5884971 VKAQGPHNOYAJMM-UHFFFAOYSA-N 327.344 1.428 0 40 EDAB COc1csc(C(=O)OCCc2c(C)[nH]c3ncnn3c2=O)c1 96013333 FKDGYOLKAHQIDW-UHFFFAOYSA-N 334.357 1.196 0 40 EDAB CN(C[C@H]1CN(CCOc2ccccc2F)CCO1)c1cccnn1 83859268 YXHTUVJGCZWMHE-HNNXBMFYSA-N 346.406 1.832 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2cccs2)NC(=O)N[C@@H]1CC 7533990 PCMRXDWPSHTEDN-SECBINFHSA-N 338.385 1.814 0 40 EDAB O=C(CS(=O)(=O)[C@@H]1CCCc2ccccc21)NC[C@H]1CCCO1 71972202 UKXHADPXUWPTAN-GDBMZVCRSA-N 337.441 1.774 0 40 EDAB Nc1cc2c(nn1)CCN(C(=O)c1cc(-c3ccc(F)cc3)n[nH]1)C2 71860048 DVQJJWAOEHILSU-UHFFFAOYSA-N 338.346 1.787 0 40 EDAB CC(C)n1nc(C(=O)N2CCC[C@H]2C(=O)O)c2ccccc2c1=O 8274333 XOYSPUVSNGVEJG-ZDUSSCGKSA-N 329.356 1.667 0 40 EDAB Cc1nnc(NC(=O)CN(C)C[C@@H]2CCCN2c2cccnn2)s1 71860014 CACNPIRFIJJKEA-LBPRGKRZSA-N 347.448 1.176 0 40 EDAB COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)c(OC)c1 8217431 FVHJNVMQIQRIBB-OCCSQVGLSA-N 348.399 1.352 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 8379751 VUGXTWZYFIHFBD-SMDDNHRTSA-N 342.848 1.829 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(F)c(F)c1 17042715 KKEULBURPKKXEN-UHFFFAOYSA-N 331.278 1.607 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3cnn(-c4ccccc4)n3)CCO2)c1 69451555 BBMALYKWKZPNAH-SFHVURJKSA-N 338.415 1.673 0 40 EDAB CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)Cc1ccc2c(c1)CCO2 69458385 PGCILXNZWXOHDM-HNNXBMFYSA-N 348.468 1.932 0 40 EDAB CN(C)C(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 69413959 HEDMALFRMGDATO-JKSUJKDBSA-N 349.862 1.676 0 40 EDAB CCO[C@@H](CC)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 69438705 PHEVLHZSAPOIKK-HNNXBMFYSA-N 348.447 1.052 0 40 EDAB CCCNC(=O)NC(C)(C)C(=O)NCCNC(=O)c1ccccc1 69435272 ULLFRBMMYZBDMA-UHFFFAOYSA-N 334.420 1.020 0 40 EDAB COc1ccc(C)cc1CN1CCC[C@H](CNS(N)(=O)=O)C1 69444022 CQHGRCCHKQFPPS-CYBMUJFWSA-N 327.450 1.009 0 40 EDAB CC(C)[C@@H](C(=O)N[C@@H](C)c1nnc2ccccn12)N1CCCC1=O 69582207 OZPOBSXSFWROTH-WFASDCNBSA-N 329.404 1.554 0 40 EDAB CCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(F)cc2F)CC1 69566885 HBDLQOISEGGOJB-GFCCVEGCSA-N 339.386 1.637 0 40 EDAB O=[S@@](CCNS(=O)(=O)N1CCCCCC1)Cc1ccccc1 69599607 SHTOEHFWXVKPAK-OAQYLSRUSA-N 344.502 1.646 0 40 EDAB C[C@@H]([C@@H](C)NC(=O)Nc1cccc(N2CCNC2=O)c1)n1cncn1 69698456 OTCHQWGYGRHBDY-NEPJUHHUSA-N 343.391 1.579 0 40 EDAB Cc1nc(CN2CCC[C@H](NCC(=O)NCc3cccs3)C2)no1 69653077 LWJQUSZRRIOUKX-ZDUSSCGKSA-N 349.460 1.310 0 40 EDAB CCn1cc(CN2CCCN(C(=O)[C@@H](C)Cn3cccn3)CC2)cn1 69621904 CEPVLNMGUSOLCT-INIZCTEOSA-N 344.463 1.470 0 40 EDAB CC(C)n1c(SCC(=O)NCC(F)(F)F)nnc1N(C)C 69630141 XRELNBHLJCLGHV-UHFFFAOYSA-N 325.360 1.696 0 40 EDAB O=C(NCc1ccc(Cn2cncn2)cc1)c1cnn2ccccc12 69629314 AFCPYLDCYGSVKD-UHFFFAOYSA-N 332.367 1.904 0 40 EDAB C[C@@H](NC(=O)NCCc1ccc(N(C)C)cc1)C(=O)NC(C)(C)C 69775129 WECMIKJXIRROAD-CYBMUJFWSA-N 334.464 1.898 0 40 EDAB O=C(CCc1ccsc1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 69738227 GDJBEPYNJKSGMI-ZIAGYGMSSA-N 342.486 1.058 0 40 EDAB C[C@H]1C[C@H](OC(=O)Cn2cnc3c(oc4ccccc43)c2=O)C(=O)O1 71836549 JQDDDTQMRRJNNF-CABZTGNLSA-N 342.307 1.390 0 40 EDAB Cc1ccc(NC(=O)N2CCNC(=O)C2)c(OC[C@H]2CCCO2)c1 69873154 YWOYWBYFCDIWRW-CYBMUJFWSA-N 333.388 1.517 0 40 EDAB CCOCCN1CCN(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]1CC 69817474 AGXLHLZPHOJJQC-OAHLLOKOSA-N 344.459 1.856 0 40 EDAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCN([C@@H](C)C(N)=O)CC1 69844631 DKOBUWZYZNUUPH-RYUDHWBXSA-N 339.823 1.125 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](O)C1CCCCC1 69970037 LBKRBWUIWDNCQI-OAHLLOKOSA-N 334.416 2.000 0 40 EDAB COC(=O)C[C@@H]1CSCCN1C(=O)CCc1c(C)nn(C)c1C 84012112 CBFFWTUIOAGMPI-CYBMUJFWSA-N 339.461 1.477 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)Cn1ncc2ccccc2c1=O 72405357 KTZMGRJYDGYFRY-UHFFFAOYSA-N 325.372 1.063 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2cc(C)on2)C1 84117064 OYSUXAFJUWGMEA-OAHLLOKOSA-N 345.403 1.866 0 40 EDAB COc1cc(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1C 84187995 ZKFCDLGZSRVZKW-SJORKVTESA-N 332.444 1.604 0 40 EDAB NC(=O)c1cnc(NC(=O)CCn2cnc3sccc3c2=O)s1 97023440 QEKPROUWRIEKFQ-UHFFFAOYSA-N 349.397 1.042 0 40 EDAB O=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc2nncn2c1 97082097 AEGJZJWBJPGHCE-UHFFFAOYSA-N 331.282 1.376 0 40 EDAB CS(=O)(=O)NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 72275847 KZRPKXSWUORDFX-UHFFFAOYSA-N 334.353 1.267 0 40 EDAB COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](COC)C(C)C)c1C 72295456 LWCCUYMSMUMIOA-CYBMUJFWSA-N 340.420 1.836 0 40 EDAB OCCn1ncc2c(NC[C@@H]3COc4ccccc4O3)ncnc21 97199656 MOXCTSGMEFSVOY-LLVKDONJSA-N 327.344 1.071 0 40 EDAB CN(C)S(=O)(=O)N(CC(=O)NC(C)(C)C)c1ccccc1F 113947429 QWRSPJFKDVZOAP-UHFFFAOYSA-N 331.413 1.353 0 40 EDAB CCOc1nc(N(C)CC(=O)NC(C)(C)C)ncc1Br 95414799 UHNOKFCDKQHBPR-UHFFFAOYSA-N 345.241 1.989 0 40 EDAB NC(=O)c1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)nc1 95412394 MNMURSVNSVJTMU-LBPRGKRZSA-N 327.340 1.651 0 40 EDAB O=C(N1CC[C@@]2(O)CCCC[C@@H]2C1)C1(n2cnnn2)CCCCC1 85432622 XBRZLQOYYJKSSR-PBHICJAKSA-N 333.436 1.486 0 40 EDAB CCCC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1ccncc1 306132600 LNJYAEMHEDRVIB-OAHLLOKOSA-N 331.416 1.619 0 40 EDAB O=C(Nc1cccc(CC(F)(F)F)c1)N1CCN(CCO)CC1 89780547 JVUFMRRLCZOWRD-UHFFFAOYSA-N 331.338 1.933 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 89938045 MNSSDCNJAUSUGD-LLVKDONJSA-N 330.837 1.276 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N2CCCN(C[C@@H]3CCCO3)CC2)C1 89929818 GXISXTHTXXJYMV-HOTGVXAUSA-N 345.509 1.150 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCN(CC2(CS(C)(=O)=O)CCC2)CC1 89920426 IFJJFZNEXKCXHZ-ZIAGYGMSSA-N 328.478 1.002 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@H](C)O1 22611918 OIXFSLGABMENBD-RYUDHWBXSA-N 349.456 1.570 0 40 EDAB CCN(CC)C[C@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1 306134797 NYJGMEQUVXFXHQ-CQSZACIVSA-N 330.436 1.452 0 40 EDAB CCn1c(S[C@@H](C)C(=O)NC(N)=O)nc2ccsc2c1=O 27823213 OCKPMCGKDOYLDP-LURJTMIESA-N 326.403 1.153 0 40 EDAB Cc1cc(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)no1 62615130 LQJZHFHDPLJEIA-UHFFFAOYSA-N 335.429 1.880 0 40 EDAB COCC(=O)N[C@H]1CCCC[C@@]12CN(Cc1ccncc1)CCO2 306133728 MTWZZNPIMRSIJU-FUHWJXTLSA-N 333.432 1.358 0 40 EDAB O=C(NCCN1CCCCC1)c1c(Br)nc2n1CCC2 521394674 ADVKIVQJFWLLET-UHFFFAOYSA-N 341.253 1.808 0 40 EDAB Cn1nc(C(F)(F)F)cc1CNC(=O)N1C[C@@H](N)C2(CCC2)C1 1553532143 PIMAFBNZCYNWLQ-SNVBAGLBSA-N 331.342 1.462 0 40 EDAB CCc1cccc(NC(=O)CCC(=O)Nc2nonc2NC(C)=O)c1 1529158807 MVRFCSLFIRHQCY-UHFFFAOYSA-N 345.359 1.948 0 40 EDAB COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2OC)C1 73635742 WIXFNEOJXQHZEE-QMMMGPOBSA-N 328.162 1.984 0 40 EDAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1 76374188 ABYJJKHGBJBJCB-HOCLYGCPSA-N 347.440 1.958 0 40 EDAB Cc1ccn(CCC(=O)N2CCC(O)(c3cccnc3F)CC2)n1 72340024 XFQNXLRZDKKNHC-UHFFFAOYSA-N 332.379 1.626 0 40 EDAB CC1=C(C(=O)OC(C)C)C(C(=O)O)C(C(=O)OC(C)C)=C(C)N1 34864651 PVWGVRRIJGKRCK-UHFFFAOYSA-N 325.361 1.742 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2c(F)cccc2F)s1 36182993 MPTSFQVBGJCIOS-UHFFFAOYSA-N 334.329 1.576 0 40 EDAB O=C(O)c1cn(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)nn1 565248137 FNQGZGPXDHLVMP-UHFFFAOYSA-N 339.355 1.935 0 40 EDAB C[C@@H]1NC(C(=O)NCCc2cccs2)=NN(c2ccccc2)C1=O 31545409 YIXDTXZRQXNGOX-LBPRGKRZSA-N 342.424 1.745 0 40 EDAB CO[C@H]1CCC[C@H]1OC(=O)Cn1cc(Br)ccc1=O 78985114 YPLMGYCQJDCGMY-WDEREUQCSA-N 330.178 1.722 0 40 EDAB CCOC[C@@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(C)cc1 218442887 DYGAXBMARXIJLH-YDHLFZDLSA-N 327.471 1.814 0 40 EDAB O=C(NCc1nc(C2CC2)n[nH]1)N[C@@H]1CCN(c2ncccc2F)C1 562666429 VWXLFFDMRYUKIP-LLVKDONJSA-N 345.382 1.294 0 40 EDAB C[C@@H]1CCC[C@@H]1NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 131975488 AUJUEXTVULPONG-PWSUYJOCSA-N 343.415 1.626 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C)c1ccc2nnc(C(F)(F)F)n2n1 79031355 RGCSAMUYXKAZDQ-SSDOTTSWSA-N 337.327 1.012 0 40 EDAB C[C@@](O)(CNC(=O)c1cccc(-n2cnnn2)c1)c1ccsc1 80891755 UROWCNOACYQLFJ-OAHLLOKOSA-N 329.385 1.361 0 40 EDAB CS(=O)(=O)CC[C@H](N)C(=O)N1CC2(CCCC2)c2ccccc21 225476913 MNNUDCNUIOXFJO-AWEZNQCLSA-N 336.457 1.607 0 40 EDAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1ncc[nH]1 567933179 LIAVOQNAIFDNOF-SECBINFHSA-N 340.405 1.571 0 40 EDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N(CCN(C)C)Cc1cccs1 190241830 HPKQRXVQRDFIJA-JSGCOSHPSA-N 332.491 1.619 0 40 EDAB Cn1nnn(-c2ccc(NC(=O)COc3ccccc3F)cc2)c1=O 75163095 LRMNTKUPRMUOJA-UHFFFAOYSA-N 343.318 1.123 0 40 EDAB O=C(NS(=O)(=O)c1cccnc1)[C@@H]1C[C@]12CCOc1ccccc12 225788357 MXLYDHLBOIVPQK-YOEHRIQHSA-N 344.392 1.627 0 40 EDAB O=C(Nc1cccc2nsnc12)c1ccc(N2CCOCC2)nn1 75172719 QWPGFKSMBAAXHC-UHFFFAOYSA-N 342.384 1.570 0 40 EDAB COc1cc(OC)cc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)c1 224348645 KNFJURBMJHHLDP-UHFFFAOYSA-N 345.403 1.878 0 40 EDAB COCCOc1ncccc1CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 225520994 XFTWKLQEGNJJAP-ZDUSSCGKSA-N 344.415 1.560 0 40 EDAB C[C@@H]1CCc2ccccc2N1CCC(=O)N[C@@H]1CCC(=O)N(C)C1 81431280 ODTHJRYTVDCWOU-GDBMZVCRSA-N 329.444 1.955 0 40 EDAB Cc1cc(S(=O)(=O)N2CCOC3(CCC3)C2)sc1C(=O)O 573614993 RUXWMCGKXNUIIL-UHFFFAOYSA-N 331.415 1.698 0 40 EDAB Cc1nn(C)c(N)c1[C@@]1(O)C(=O)Nc2ccc(Br)cc21 227173501 TZLCWSPPYSVJNG-CYBMUJFWSA-N 337.177 1.261 0 40 EDAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccncc3)c(C)cc21 223352432 LBNWUFKPQYOCIR-UHFFFAOYSA-N 347.396 1.796 0 40 EDAB Cc1ccc([C@@H]2CN([C@@H]3CC(=O)N(CC(F)(F)F)C3=O)CCO2)o1 195246254 IXBQVQKXQFELDB-PWSUYJOCSA-N 346.305 1.651 0 40 EDAB CN(C)CCOC[C@@H]1CN(Cc2ccsc2)Cc2nnn(C)c21 96060659 HFTIDMJCJDDHPU-AWEZNQCLSA-N 335.477 1.554 0 40 EDAB CCNC(=O)CNC(=O)N[C@@H](C)Cc1ccccc1Br 96470172 ZJAQAVCTFPSPFF-JTQLQIEISA-N 342.237 1.815 0 40 EDAB O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 230212821 QFQRNYWILJWZGQ-JKSUJKDBSA-N 342.395 1.348 0 40 EDAB CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CC1)CC2 96036956 LZQJRYCBOUIIAX-UHFFFAOYSA-N 340.475 1.930 0 40 EDAB CC1CCN(C(=O)Cc2ccc(OCc3nnnn3C)cc2)CC1 96191985 GTQFCZIHIKNWJY-UHFFFAOYSA-N 329.404 1.590 0 40 EDAB CCOc1ccsc1C(=O)N1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 96110061 VLSFGWCFRQSWDE-BDJLRTHQSA-N 349.412 1.878 0 40 EDAB CCN(C)c1ccccc1CNS(=O)(=O)CC1CCOCC1 96427950 LKXICQWUJMJZTG-UHFFFAOYSA-N 326.462 1.989 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 96428414 MJCMGHMNELNXMX-XQQFMLRXSA-N 342.509 1.780 0 40 EDAB CNC(=O)/C=C/CNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 618254204 PEJLFTNDXCUUKP-NNTXTVRGSA-N 329.400 1.075 0 40 EDAB Cn1ccnc1N1CCN(C(=O)CCC(=O)c2cccs2)CC1 96418679 TWHJHSOOZMCUFY-UHFFFAOYSA-N 332.429 1.793 0 40 EDAB CCc1n[nH]c(=O)c(CNS(=O)(=O)c2cccs2)c1CC 96475173 ZBCOQTYXOQIRFK-UHFFFAOYSA-N 327.431 1.435 0 40 EDAB CN1CCN(C[C@@H]2CN(Cc3ccccn3)Cc3nccn3C2)CC1 96067023 QOKIWLZKFCASDS-QGZVFWFLSA-N 340.475 1.158 0 40 EDAB CS(=O)(=O)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 247503247 GEBTXCWAZRIELC-HIFRSBDPSA-N 326.418 1.291 0 40 EDAB COc1ncccc1CN1Cc2ncn(C)c2[C@H](C(=O)NC2CC2)C1 248035404 MPHBFYNZPKOWOX-CQSZACIVSA-N 341.415 1.202 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)c2cc3cccc(F)c3[nH]2)CC[C@@H]1O 257239414 HPDMVWWHDPNLDK-ZFWWWQNUSA-N 333.363 1.409 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)COc2ccccc2F)n1 257329124 XIOXIBAIHBNPPM-AWEZNQCLSA-N 347.346 1.609 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2cncnc2C)n1 257289074 PWWXKOOMMWBQPQ-CYBMUJFWSA-N 328.376 1.139 0 40 EDAB CCCn1ccnc1CN1CC[C@]1(CCCc1cnccn1)C(N)=O 257313139 UREIOOIDFMDCAN-GOSISDBHSA-N 342.447 1.536 0 40 EDAB COc1cc(C(=O)NCc2ccc(C)c(F)c2)ccc1OCC(N)=O 24155239 VKCMGPJHSPUXOB-UHFFFAOYSA-N 346.358 1.937 0 40 EDAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc2nc(O)[nH]c2c1)C1CC1 585081655 BYBQCZQGWKUTOY-CYBMUJFWSA-N 347.400 1.432 0 40 EDAB C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 252586419 PYWGKNBGMBEGCL-BVPBIZIASA-N 343.471 1.811 0 40 EDAB CCCn1cc(CN2CCNC[C@H]2c2cccc(C(=O)NC)c2)cn1 257257878 KRLSEWDBYBOQMB-SFHVURJKSA-N 341.459 1.799 0 40 EDAB CC(C)(C)OC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C[C@H]1O 265540626 KPKXBGLKFPRIOJ-CRAIPNDOSA-N 336.432 1.509 0 40 EDAB CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2Cn2cncn2)cn1 602299365 WJBIRYMDLLOUMP-CQSZACIVSA-N 329.408 1.113 0 40 EDAB Cc1ccc([C@@H](CNC(=O)C(=O)NCc2ccco2)OCCO)cc1 96338166 QVGNFTGXXYGEOV-MRXNPFEDSA-N 346.383 1.071 0 40 EDAB CC(=O)N[C@@H](C(=O)NCc1nnc(-c2ccccc2)n1C)C(C)C 1615615390 PZIPEHJRBFNVRU-OAHLLOKOSA-N 329.404 1.259 0 40 EDAB CC(C)CCC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccnn3C)[C@H]2C1 575403890 KEGSTUSNEPOBEP-SQWLQELKSA-N 348.447 1.060 0 40 EDAB O=C(c1cn[nH]c1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 575415074 YYWMEHHCWRYSHN-CQSZACIVSA-N 337.376 1.551 0 40 EDAB COc1nc(CNC(=O)c2c(F)cccc2Cl)nc(N(C)C)n1 575603810 LGOVJEKNNBOSCY-UHFFFAOYSA-N 339.758 1.669 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)C3CCC3)C[C@@H]21)c1cccnc1 575403602 IAMKPFQQRWLYOM-BZUAXINKSA-N 329.400 1.085 0 40 EDAB CC1(C)OCC[C@@H]1CNS(=O)(=O)Cc1ccc(C(=O)O)cc1 663431211 IFPPTCZAKNLUDR-CYBMUJFWSA-N 327.402 1.619 0 40 EDAB Cc1ccc(C[C@]2(CO)CN(C(=O)c3cccnn3)CCO2)cc1 585277942 ZCFZSHZHFAPFCW-GOSISDBHSA-N 327.384 1.231 0 40 EDAB Cn1cnc(C(=O)N2CCO[C@](CO)(Cc3cccc(F)c3)C2)c1 585277913 YXWMVSDYYGCUKC-QGZVFWFLSA-N 333.363 1.005 0 40 EDAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@@H](C(N)=O)C(C)(C)C)c1 65567988 GPZMNJOOLQFWKQ-ZDUSSCGKSA-N 341.433 1.132 0 40 EDAB C[C@H](NC(=O)NCCCn1cncn1)c1ccc2c(c1)OCCO2 48020982 KMGJIEJMFSQVQL-LBPRGKRZSA-N 331.376 1.500 0 40 EDAB Cc1cnc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)nc1 1776008368 BSLVLZUGOYYHJL-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB Cc1ccn2c(CN[C@H]3CCN(S(C)(=O)=O)C[C@H]3C)cnc2c1 106918567 IBSZENIDNKNJPN-HIFRSBDPSA-N 336.461 1.402 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@](C)(O)CCSC 75157630 BQHBDQCZXCCTPT-INIZCTEOSA-N 340.445 1.562 0 40 EDAB Cc1cc(C)c(CNC(=O)NCCc2nc3ccccc3[nH]2)c(=O)[nH]1 75117911 HGEUWAXHGGMFIS-UHFFFAOYSA-N 339.399 1.910 0 40 EDAB OCCn1ncc2c(NCCc3cnn(-c4ccccc4)c3)ncnc21 97200168 XYGMOIAKPSZGHH-UHFFFAOYSA-N 349.398 1.659 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@@H](c3ccnc(C)n3)C2)n(C)n1 585145866 LSSMAMMQRTVKKL-CQSZACIVSA-N 328.420 1.645 0 40 EDAB C[C@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1c1cccs1)n1cncn1 12146576 OABAFVBEMCMJCH-UEKVPHQBSA-N 333.417 1.427 0 40 EDAB COc1ccc(OC)c(COC[C@@H](O)CN2C[C@H](C)O[C@@H](C)C2)c1 12420213 YKLOLFWVOCKEAE-DZKIICNBSA-N 339.432 1.691 0 40 EDAB CCNS(=O)(=O)c1ccc(OC)c(C(=O)NCc2ccccc2)c1 16606269 SDJBBZCSEMFSMF-UHFFFAOYSA-N 348.424 1.923 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)C1 16740153 ZYYQVARWAOQZDL-UYHISHBKSA-N 337.416 1.910 0 40 EDAB CC(C)S(=O)(=O)c1nn(CCN(C)C(=O)OC(C)(C)C)cc1N 710676199 NJSZUNWUAWOMJY-UHFFFAOYSA-N 346.453 1.514 0 40 EDAB COc1nn(C)cc1C(=O)NCC1CCN([C@H]2CCSC2)CC1 225567840 SMOTWUHSAMIMJJ-ZDUSSCGKSA-N 338.477 1.376 0 40 EDAB COC(=O)C1CN(C(=O)c2ccc(OCCOC(C)(C)C)nc2)C1 225728209 BFHJPICKIPNKEN-UHFFFAOYSA-N 336.388 1.521 0 40 EDAB O=C(O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccsc1 551910489 ZULSRIMWDFQGDV-GFCCVEGCSA-N 327.383 1.428 0 40 EDAB Cc1ccc(Nc2cccc(C(=O)NC[C@@H](O)C3CCC3)c2)nn1 572218425 FBJIOLIYEOONRJ-MRXNPFEDSA-N 326.400 2.419 0 40 EDAB CNc1ccccc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3423664 SXORHQHXUJMILU-UHFFFAOYSA-N 342.351 1.930 0 40 EDAB CCCNC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 5792243 VZEHUQQWVXSVQT-HNNXBMFYSA-N 325.315 1.258 0 40 EDAB Cc1ccc(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)c(C)c1 6549333 FOIIOGLCJHQJQQ-AWEZNQCLSA-N 347.440 1.962 0 40 EDAB CCN=c1nc(N2CCN(c3ncnc4c3CCCC4)CC2)cc[nH]1 1889096184 BVDCWAXIQOLILD-UHFFFAOYSA-N 339.447 1.326 0 40 EDAB O=C(c1cncnc1)N1CCC[C@]2(CCCN(c3ncccn3)C2)C1 2056223510 PFNASQZNTOVDTQ-SFHVURJKSA-N 338.415 1.789 0 40 EDAB O=C1C[C@@H](NS(=O)(=O)c2cccs2)CN1c1cccc(F)c1 4497763 CHMLJJAFXIWRLV-LLVKDONJSA-N 340.401 1.971 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)C2CCCCC2)CC1 2055746452 HPDVMZHNJRGVIT-UHFFFAOYSA-N 347.463 1.520 0 40 EDAB O=C1CCC2(CCN(Cc3cn[nH]c3)CC2)N1Cc1cccnc1 2055819351 IGWAFOJHTYKLQK-UHFFFAOYSA-N 325.416 1.962 0 40 EDAB Cc1ccccc1OCC(=O)N1CCN(C[C@@H](O)c2ccco2)CC1 85436752 QVMDBYRDTLQTPZ-MRXNPFEDSA-N 344.411 1.845 0 40 EDAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3(C)C)ccc21 40656131 SCMYROSOXZKDCA-UHFFFAOYSA-N 340.401 1.414 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)NC[C@H]3CCCO3)ccc2c1=O 32478289 VTKOTZNUSOQSFT-GFCCVEGCSA-N 331.372 1.180 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1CCC(N2CCNC2=O)CC1 52215251 WLHDYOVCUFQWMF-UHFFFAOYSA-N 336.461 1.196 0 40 EDAB Cc1cc(C(=O)O[C@H]2CCCCC2=O)cc(S(N)(=O)=O)c1C 21484800 YCYKFBVUPOWLJB-ZDUSSCGKSA-N 325.386 1.619 0 40 EDAB C[C@H]1NC(C(=O)NC(C2CC2)C2CC2)=NN(c2ccccc2)C1=O 32952521 CYPAPBCNCYOHNR-LLVKDONJSA-N 326.400 1.630 0 40 EDAB CC(=O)c1cccc(-n2nnn([C@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)c1 103008377 CQTRXPWTCMYNJI-YUTCNCBUSA-N 346.368 1.256 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@@H]1CCC(=O)NC1)O[C@H](C)C2 61307903 NDXLDKKCEJBFOJ-VXGBXAGGSA-N 332.400 1.551 0 40 EDAB CCCCn1c(N)c(N(C)C(=O)c2ccc(CC)cc2)c(=O)[nH]c1=O 7799632 XHDXGEGUTZZTPT-UHFFFAOYSA-N 344.415 1.758 0 40 EDAB Cn1ncc2c(N[C@H](CN3CCOCC3)c3ccccc3)ncnc21 12486571 SXKPGERTPZFGME-MRXNPFEDSA-N 338.415 1.849 0 40 EDAB COc1ccc(OC[C@@H](O)Cn2cnc3sccc3c2=O)cc1 23043085 ALQIOUBVKITFDJ-NSHDSACASA-N 332.381 1.907 0 40 EDAB O=C(c1ccc(Cl)o1)N1CCN(S(=O)(=O)N2CCCC2)CC1 23102632 ZNAFSSFWMNEDRM-UHFFFAOYSA-N 347.824 1.031 0 40 EDAB Cn1ccc(CN2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1=O 54202860 WSWLZFILNUUXHZ-OAHLLOKOSA-N 326.400 1.631 0 40 EDAB COc1ccc(CNC(=O)Cn2nc3c(cc2=O)CCCCC3)cc1 61721863 WCXOCTXREFWLDE-UHFFFAOYSA-N 341.411 1.837 0 40 EDAB COc1ccc(C)cc1CN(C)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 42683666 GUTVCCYLEZNBCR-CABCVRRESA-N 347.459 1.548 0 40 EDAB Cn1c(=O)n(C)c2cc([C@H]3NCC[C@@]34C(=O)Nc3ccccc34)ccc21 61719506 DGPMUVKHRQGELD-XLIONFOSSA-N 348.406 1.802 0 40 EDAB CC(=O)N1CCC(CNC(=O)N2CCN(c3ccccc3)CC2)CC1 105314258 HTMVXEPRTBUFMN-UHFFFAOYSA-N 344.459 1.777 0 40 EDAB COc1ccccc1COC[C@H](O)CN1C(=O)NC2(CCCC2)C1=O 24094664 RUJOZVLPCBIBMI-CQSZACIVSA-N 348.399 1.437 0 40 EDAB O=C(NCCO)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 42873764 IDCWFLVBDRXRQO-UHFFFAOYSA-N 332.326 1.361 0 40 EDAB O=C(COc1ccc(F)cc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 72268993 WLZUANLYKHXZIG-GJZGRUSLSA-N 340.370 1.401 0 40 EDAB c1cnc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)nc1 57292132 IJOMIVVIXRBWHV-UHFFFAOYSA-N 328.401 1.910 0 40 EDAB O=C1C[C@@H](NN2CCOCC2)C(=O)N1c1cccc2ccccc12 102223775 REBMSXIJTNCDTI-OAHLLOKOSA-N 325.368 1.309 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CCCN(c3cnccn3)C1)C2 72278939 XFQULIIMYAAAOS-GJZGRUSLSA-N 340.431 1.329 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)Cn1nc(-c2cccs2)oc1=O 48263433 GEOFIDVWBGDEMU-LLVKDONJSA-N 337.401 1.450 0 40 EDAB CCOC(=O)CNC(=O)C[C@H](C(=O)O)c1ccc(OC(C)C)cc1 2056666 LKONYZBZHMONHE-AWEZNQCLSA-N 337.372 1.711 0 40 EDAB CC(=O)N1CCC[C@H](S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1 72287953 LGWWZGHQAJZUCX-UONOGXRCSA-N 326.418 1.757 0 40 EDAB CN(C)c1nc(N)nc(CN2CCC(Oc3ccc(F)cc3)CC2)n1 72286223 PAFNVOWQVBHPEY-UHFFFAOYSA-N 346.410 1.702 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2cc(C)on2)cc1 44890884 CCYMNWBPDIBPSK-UHFFFAOYSA-N 338.389 1.354 0 40 EDAB O=C([C@@H]1C[C@]2(CCCN(Cc3ccccc3)C2)CO1)N1CCOCC1 107230332 FWTFEXKGWPOBRQ-ICSRJNTNSA-N 344.455 1.917 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2F)on1 44915700 HODRIUCMDQXVMV-JTQLQIEISA-N 338.360 1.645 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccc(OC)nc2)c1 44950853 YEMCYAZFXBBIKW-AWEZNQCLSA-N 347.371 1.963 0 40 EDAB C[C@H](C(=O)N1CCNC1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12777354 NCOGEDUBTSWVKA-TZMCWYRMSA-N 345.399 1.535 0 40 EDAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cc2ccc(F)cc2)C1 57318833 IGYATTWIFUZYOT-ZFWWWQNUSA-N 336.407 1.758 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)[C@H](C)CO1 58380910 HTDYKVKROVPYPK-ZIAGYGMSSA-N 335.429 1.729 0 40 EDAB Cn1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)Nc3ccn(C)n3)C2)n1 58308639 VVLHFBZOLZHLHB-RYUDHWBXSA-N 330.392 1.537 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)NCCC1CCN(C)CC1 58326684 ZWHIIZHNQIVJPP-UHFFFAOYSA-N 334.420 1.648 0 40 EDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)N[C@H]1CCCC[C@@H]1C 58444956 FTIUKMBINLBCLI-UGDMJCMUSA-N 340.445 1.661 0 40 EDAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 12751104 HAFALETWBQPXEL-VHSXEESVSA-N 346.478 1.054 0 40 EDAB COc1ccc(CN(C)C(=O)N[C@H]2CCCCNC2=O)cc1OC 45671359 WNSWIMGKBNUTEY-ZDUSSCGKSA-N 335.404 1.514 0 40 EDAB CCc1nnsc1C(=O)NC[C@H](C(CC)CC)N1CCOCC1 36705353 OTEWSDDFYHPRHV-CQSZACIVSA-N 340.493 1.967 0 40 EDAB O=C(CN1C(=O)CSc2ccccc21)NC[C@@H]1CCN(C2CC2)C1 48331922 QSRAIUIIQZVBHD-ZDUSSCGKSA-N 345.468 1.726 0 40 EDAB CS(=O)(=O)/N=C(\O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 48480355 SUEVKLIPHSEWSE-NSHDSACASA-N 328.365 1.594 0 40 EDAB CS(=O)(=O)/N=C(\O)C1CCN(C(=O)CCc2ccccc2)CC1 48481065 UJFDRXABFMHJQF-UHFFFAOYSA-N 338.429 1.774 0 40 EDAB CCc1nnc([C@H](C)N[C@@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)o1 72300505 AWROHJCHYCYTOG-RWMBFGLXSA-N 344.481 1.731 0 40 EDAB CC[C@]1(C)NC(=O)N(CCCNCc2cccc3cn[nH]c23)C1=O 84024451 MVDBEENGBHVYNX-KRWDZBQOSA-N 329.404 1.763 0 40 EDAB CCOC(=O)C1=C(COC(=O)CC)NC(=O)N[C@@H]1c1ccccc1 6053163 CBJFCCZKQYHUMM-OAHLLOKOSA-N 332.356 1.811 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCCN1Cc1ccccc1 65499369 VVTVNNZCMSNXIU-QRVBRYPASA-N 343.471 1.630 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(=O)n(-c2ccccc2)n1 65463047 SZFCLJWWUYMVSI-ZDUSSCGKSA-N 335.367 1.174 0 40 EDAB Cc1ccc(-c2nnn(C[C@H](O)CN3C[C@H](C)O[C@H](C)C3)n2)cc1 65475216 LJGCKPQFYZNMGV-IJEWVQPXSA-N 331.420 1.119 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccn(-c3ccccc3)n2)C[C@H](C)O1 65402625 KCKGYFRXWSBKPC-GJZGRUSLSA-N 328.416 1.711 0 40 EDAB CCc1ncncc1C(=O)NCCNC(=O)c1ccc(F)cc1F 65414116 URSRSTXDIIPVFE-UHFFFAOYSA-N 334.326 1.477 0 40 EDAB COc1ccc(C(=O)N2CC(S(=O)(=O)Nc3ccccc3)C2)cn1 96005411 ZGMRRPHPTKQITO-UHFFFAOYSA-N 347.396 1.357 0 40 EDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CCCCC1 14189720 ZUUXLLZKAZRYNI-LLVKDONJSA-N 335.429 1.563 0 40 EDAB CCOc1ncccc1C(=O)N1CCN(c2nccc(OC)n2)CC1 65608581 XWNFTUZOTOUONI-UHFFFAOYSA-N 343.387 1.241 0 40 EDAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc2c(c1)CCN2C(C)=O 26901658 AJTNANMWGJAEDT-BMIGLBTASA-N 332.404 1.617 0 40 EDAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)n[nH]c1C 6587003 WFYZQBXOAUSVSY-UHFFFAOYSA-N 336.417 1.967 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(OCC(F)(F)F)nc1 14307200 FXILIXOLEGKWTH-SECBINFHSA-N 333.310 1.667 0 40 EDAB CC(=O)Oc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 5632140 DRRJWRISAOCWIF-UHFFFAOYSA-N 348.380 1.189 0 40 EDAB COc1cccc(-n2ccnc2S[C@H](C)C(=O)N2CCNC2=O)c1 9319260 WLIYDAYLSGGABM-LLVKDONJSA-N 346.412 1.913 0 40 EDAB CCC(Nc1ccc(N(C)C)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 4808165 MJCCXFBCAMWSFF-UHFFFAOYSA-N 330.388 1.879 0 40 EDAB Cc1ccn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c1 96447934 INQSJAQWNKGGJT-UHFFFAOYSA-N 329.375 1.645 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C)c1nc(N(C)C)cc(C(F)(F)F)n1 70037386 CUSHNOAIXNBXDW-MRVPVSSYSA-N 340.371 1.431 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cc(Br)c[nH]2)CC1 70003953 JJJINIUGIPDZAH-LLVKDONJSA-N 330.226 1.306 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCO[C@H](Cn2cccn2)C1 69376474 AMDIUYPDTVKLJH-GJZGRUSLSA-N 346.435 1.389 0 40 EDAB Cc1cc(C)n(C[C@H]2CN([C@@H](C)C(=O)Nc3ncccn3)CCO2)n1 69349931 OZWQAHJJSWBZOY-LSDHHAIUSA-N 344.419 1.018 0 40 EDAB CN1N=C(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CCC1=O 96476855 APUMBLZHIWDHTP-LBPRGKRZSA-N 327.306 1.884 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCc2c(ncn2C2CC2)C1 69420683 TVMSCNSZHJHFFY-ZDUSSCGKSA-N 342.447 1.954 0 40 EDAB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N1CCc2c(ncn2C)C1 69486459 FQCCTUVACPMICX-CHWSQXEVSA-N 330.436 1.973 0 40 EDAB Cc1ccc(OCCCNC(=O)Nc2cnn(CC(N)=O)c2)cc1 69456637 QEBMYRLHXBKARS-UHFFFAOYSA-N 331.376 1.267 0 40 EDAB Cc1cc(C(=O)NCc2ccncc2)cc(S(=O)(=O)N(C)C)c1C 17168331 DBTFOTUEJYHLME-UHFFFAOYSA-N 347.440 1.879 0 40 EDAB C[C@H](N[C@H](C)C(=O)N1CCC(C(N)=O)CC1)c1ccc(F)c(F)c1 97032993 XKEIKMFJPVXOHK-WDEREUQCSA-N 339.386 1.728 0 40 EDAB Cn1cc(S(=O)(=O)Nc2ccccc2SCCC(N)=O)cn1 69533427 NLDFGJFRPLOTIV-UHFFFAOYSA-N 340.430 1.188 0 40 EDAB CCOCCN1CCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 69655587 WGXXKKHZGJLQGI-OAHLLOKOSA-N 337.439 1.485 0 40 EDAB CCOCCN1CCN(Cc2nc(Cc3ccccc3)no2)CC1 69627431 PAKKXCRYGZMGGZ-UHFFFAOYSA-N 330.432 1.815 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)N1CCc2ccccc2C1 71876179 WLLYEJLCQOHGHP-GOSISDBHSA-N 339.443 1.718 0 40 EDAB CN(C)C[C@@H]1CN(CC(=O)N(Cc2ccccc2F)C2CC2)CCO1 69818911 YKQGRGZPXODFNX-QGZVFWFLSA-N 349.450 1.579 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 69872334 ZRDZDXZUTBICCD-KRWDZBQOSA-N 340.427 1.458 0 40 EDAB CCc1nc(CN2CCC(CNS(=O)(=O)CC)CC2)cs1 69814880 ZHVGNWVRKHAKIN-UHFFFAOYSA-N 331.507 1.857 0 40 EDAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN2CCCC[C@@H]2C1 71839666 CKNARPRNGYXOPL-JKSUJKDBSA-N 329.448 1.390 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(-n3cccn3)c(F)c2)CC1 71871529 UGCQFOMKPBZQIN-CYBMUJFWSA-N 332.379 1.150 0 40 EDAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 69917562 ZMNBMSBCYIVCKT-DZGCQCFKSA-N 330.432 1.620 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)c2cc(Cl)ccn2)CC1 69976859 WBHWMAYBVBVSBL-UHFFFAOYSA-N 344.802 1.657 0 40 EDAB CCNC(=O)c1cccc(NC(=O)CN[C@](C)(CC(C)C)C(N)=O)c1 69970810 CSDRWAMLSLGQKE-GOSISDBHSA-N 348.447 1.255 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 71870142 LDVMRBOIKMAJTQ-ZBFHGGJFSA-N 330.432 1.502 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2CC(=O)Nc2c(C)nn(C)c2C)n1 71876062 GZHJQYUPFRPNEV-INIZCTEOSA-N 344.463 1.953 0 40 EDAB Cc1noc(CCCNC(=O)N2CCc3ccccc3[C@H]2CO)n1 95417136 SXLHNXBJCRQVMC-OAHLLOKOSA-N 330.388 1.612 0 40 EDAB CN(C)c1nccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)n1 95463050 VSIFAAHLOBLCIR-UHFFFAOYSA-N 344.799 1.814 0 40 EDAB CCC[C@@H]1CN(C(=O)NCc2ccc(-n3ccnc3)nc2)CCO1 95442674 XWHNTSNMFVERID-OAHLLOKOSA-N 329.404 1.978 0 40 EDAB CCCO[C@H]1CCCN(C(=O)C2(NS(C)(=O)=O)CCCCC2)C1 95956164 GBCYRMWKERJARX-AWEZNQCLSA-N 346.493 1.656 0 40 EDAB CCOc1ccc(-n2ncc(C(=O)N3CCN(C)C[C@H]3C)c2C)nn1 89269789 DBICFCAUDNSRMI-GFCCVEGCSA-N 344.419 1.146 0 40 EDAB CCN1CCO[C@@H](CNCc2ccc(OCc3nccn3C)cc2)C1 75133681 AENXISNIGOXKCQ-SFHVURJKSA-N 344.459 1.809 0 40 EDAB C[C@H](c1cn(-c2ccccc2)nn1)N1CCc2nn(C)c(=O)cc2C1 89913487 VBPZHNSMGPEDMC-CYBMUJFWSA-N 336.399 1.480 0 40 EDAB CC(C)(C)c1ccc(=O)n(CN2CCN(C(=O)C3CCCC3)CC2)n1 66792400 ZXOAKKQKTOXFNC-UHFFFAOYSA-N 346.475 1.833 0 40 EDAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCc1ccco1 408709575 UHYZMMQSUJXRPJ-UHFFFAOYSA-N 329.356 1.673 0 40 EDAB O=C(NCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CC1 408709220 PZVOFKXCEFRALR-UHFFFAOYSA-N 337.379 1.834 0 40 EDAB Cc1cc(C)cc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)c1 78443645 NRHWVEGHESCHAZ-UHFFFAOYSA-N 336.413 1.303 0 40 EDAB Cc1cc(C)n([C@@H](C)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)n1 78987040 CVMDIUUMFCLGBQ-WDEREUQCSA-N 332.326 1.340 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1C 74935847 ONPFLGBVBYQMPK-CYBMUJFWSA-N 331.459 1.419 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 551899411 FFZUEPYCFVVFBE-ZACQAIPSSA-N 339.457 1.936 0 40 EDAB CC1(C)OC(=O)c2c1ccnc2N[C@H]1CCCN(S(C)(=O)=O)C1 79002402 NNHUBCCWUNAIQX-JTQLQIEISA-N 339.417 1.323 0 40 EDAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccccc2)[C@@H]1S(C)(=O)=O 218010290 BIHAXRFYSAOILU-OLZOCXBDSA-N 340.397 1.310 0 40 EDAB COC(=O)/C(=C/O[C@@H]1C=C(C)C(=O)O1)N1C(=O)c2ccccc2C1=O 39177618 UBVNIMAEIBGUEL-FSBNRTBOSA-N 343.291 1.143 0 40 EDAB O=C(NCC1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCO2 70930352 SBBXVMQWMIKMOM-UHFFFAOYSA-N 340.383 1.852 0 40 EDAB CN(C)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 216475990 IKHOWARGEADANQ-UHFFFAOYSA-N 333.841 1.393 0 40 EDAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)C1CC1 71980586 NOTOQOKNSAXPCU-INIZCTEOSA-N 344.411 1.701 0 40 EDAB O=C(Cc1ccccc1Cl)NCc1nc(-c2ccc[nH]c2=O)no1 225803873 SYPTUMINBMWHMR-UHFFFAOYSA-N 344.758 1.937 0 40 EDAB O=C(NS(=O)(=O)Cc1ccccc1)c1cccc(-c2ncn[nH]2)c1 225469767 SCECLFIBVVMQHA-UHFFFAOYSA-N 342.380 1.732 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223357609 IMXNPNRGZRSVKP-UONOGXRCSA-N 346.383 1.202 0 40 EDAB NS(=O)(=O)c1ccc(CCN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 193960691 BWOPOPUQJREOPL-BZUAXINKSA-N 336.457 1.424 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)NCCn2ccnc2C2CC2)cc1 225568385 GNSSATWJCDDQDG-UHFFFAOYSA-N 333.413 1.942 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCC[C@H](Oc2cnccn2)C1 225474235 WYRDICWYWMSXCT-ZDUSSCGKSA-N 341.367 1.931 0 40 EDAB COC[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(C)c(C(=O)O)c2)C1 573852161 DOMSNPSNJARRPH-LLVKDONJSA-N 345.392 1.879 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@@H]12)N1CCOCC1 96057235 MUMUDXPOCUXXQI-KURKYZTESA-N 345.443 1.025 0 40 EDAB O=C(c1ccoc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCCCn1cccn1 96041848 KVWRWVJIZLMXMH-GVDBMIGSSA-N 345.399 1.955 0 40 EDAB c1ccc(CN2CCOC[C@]3(CC[C@H](CN4CCCC4)O3)C2)nc1 96052341 SNDXCMOLZYGYGD-MOPGFXCFSA-N 331.460 1.927 0 40 EDAB CNS(=O)(=O)CCCN1CCC[C@H]1c1nc2c(n1C)CCCC2 583618458 YCZVRJTXPOTETG-HNNXBMFYSA-N 340.493 1.375 0 40 EDAB CN1C(=O)C[C@@H](NCc2nncn2-c2ccccc2)[C@@H]1c1cccnc1 583620144 GPZDKTWLMLKPEY-APWZRJJASA-N 348.410 1.724 0 40 EDAB O=C(N[C@H]1Cc2cccc(O)c2C1)N1CC[C@H](CN2CCCC2)C1 579852892 HJADWUGXNCLKFI-ZBFHGGJFSA-N 329.444 1.987 0 40 EDAB O=C(NCc1ccco1)C1=NO[C@]2(CCN(Cc3ccncc3)C2)C1 96225850 RFXRPTRVOKUJHB-GOSISDBHSA-N 340.383 1.712 0 40 EDAB Cc1ccc(NCc2cnc3n2CCN(C(=O)NC2CC2)CC3)nn1 96197138 ZGRXNCNTMZGNFR-UHFFFAOYSA-N 341.419 1.324 0 40 EDAB Cc1noc(C[C@H]2CO[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]32)n1 96219456 BOZFWENHMDQUJN-JJRVBVJISA-N 343.383 1.796 0 40 EDAB c1ccc(COC[C@]23COC[C@H]2CN(CC2CCOCC2)C3)nc1 96109020 OLCIURAULKQFOH-MJGOQNOKSA-N 332.444 1.973 0 40 EDAB O=C(c1ccccc1)N1C[C@@H]2Oc3ccccc3S(=O)(=O)N[C@@H]2C1 514290038 RHMLAPMVDLASLG-HIFRSBDPSA-N 344.392 1.251 0 40 EDAB biogenic,in-vitro CC(C)c1nnc2n1C[C@H](NCc1ccc(S(C)(=O)=O)cc1)CC2 97199474 PTSXRBMHFILBGE-CQSZACIVSA-N 348.472 1.910 0 40 EDAB COc1ccc(-c2cc(C(=O)NCCCN(C)C)n[nH]2)cc1OC 95479841 JVVCAZONERMWGC-UHFFFAOYSA-N 332.404 1.775 0 40 EDAB Cc1ccc2c(n1)N(Cc1ccncc1)CCN(S(C)(=O)=O)C2 96199103 MIJUVJJLVOOXTP-UHFFFAOYSA-N 332.429 1.567 0 40 EDAB COc1ccc(C(=O)CNC(=O)C[C@H]2NC(=O)c3ccccc32)cc1 95474493 PAMMLAMFSQOKLJ-MRXNPFEDSA-N 338.363 1.869 0 40 EDAB Cc1ccc([C@H]2[C@@H](C(=O)Nc3nnc(C)s3)OCC(=O)N2C)cc1 96181412 XQWKTNNVVHRHGQ-KBPBESRZSA-N 346.412 1.692 0 40 EDAB CN1CCN(C(=O)c2nc3c(s2)CCCN3C(=O)C2CC2)CC1 96264688 BNWILWPDTIZLFO-UHFFFAOYSA-N 334.445 1.220 0 40 EDAB O=C(c1cnccn1)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 96039858 GAUKAGUWEAJTFI-AEFFLSMTSA-N 331.416 1.915 0 40 EDAB Cc1ccccc1[C@H]1CCCN1CCNS(=O)(=O)c1cnn(C)c1 96441382 YWZOOFVRILLTQD-QGZVFWFLSA-N 348.472 1.844 0 40 EDAB O=C(Cc1cccnc1)N1CCC2(CCN(C[C@@H]3CCOC3)CC2)C1 96157520 JHSJACKQQAYDMT-SFHVURJKSA-N 343.471 1.975 0 40 EDAB CN1CCN(Cc2cccnc2)[C@]2(CCN(Cc3ccco3)C2)C1=O 96229606 CEAUDMJAQVJYHK-IBGZPJMESA-N 340.427 1.593 0 40 EDAB O=C(COC[C@@H]1C[C@@H]2OCCN(Cc3ccoc3)[C@H]2C1)N1CCCC1 96082847 AEGTVJDZWDFFDG-BZSNNMDCSA-N 348.443 1.898 0 40 EDAB COc1ncccc1CN1C[C@H](NC(=O)N(C)C)[C@@H]2OCCC[C@@H]21 96185852 GLLZVGDXRBALAT-KKUMJFAQSA-N 334.420 1.093 0 40 EDAB Cc1noc(-c2ccccc2C(=O)NCc2cnc(N(C)C)n2C)n1 96426491 BPAZGNYCYDFYDJ-UHFFFAOYSA-N 340.387 1.775 0 40 EDAB CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(OC(C)C)nc1 585115061 KUBJUOXTVSLDGZ-CMPLNLGQSA-N 334.463 1.260 0 40 EDAB CN(C)CCn1c2c(ccc1=O)CCN(Cc1cccnc1)CC2 96196649 ZAPBIRIWZVQVQS-UHFFFAOYSA-N 326.444 1.406 0 40 EDAB O=C([C@@H]1CCCO1)N1CC[C@@H]2O[C@@H](COCc3cccnc3)CC[C@@H]21 96186136 SNMVKHJELWFWBP-OWSLCNJRSA-N 346.427 1.926 0 40 EDAB CCCS(=O)(=O)N1C[C@H](N(C)Cc2ccco2)[C@@H]2OCCC[C@@H]21 96185994 QTCCSLYFNLRKAP-HRCADAONSA-N 342.461 1.683 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)NCC(C)C)C1 96244487 IHCMQRYFSHDVJM-SFHVURJKSA-N 347.463 1.690 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@H](COc3ccccn3)CCN2C)C1 248147601 SHOREJATCPJIJI-CQSZACIVSA-N 339.461 1.206 0 40 EDAB CCn1cc(CN2Cc3cccn3[C@H](COCC(=O)N(C)C)C2)cn1 248051678 XPFIPVUTPIAMHF-KRWDZBQOSA-N 345.447 1.366 0 40 EDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)C2CCOCC2)nc1 257252146 JTSGWMQSPLFISU-QGZVFWFLSA-N 331.416 1.808 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@H]1O)c1cscn1 257308495 TWXMDCXKCOGTMM-GDBMZVCRSA-N 342.424 1.600 0 40 EDAB CCN(CC)c1ccc(C(=O)N[C@@H]2CCCC[C@@H](O)[C@@H]2O)c(O)c1 257319560 VTBAYIQPMRTIEX-BFYDXBDKSA-N 336.432 1.633 0 40 EDAB COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(-c2nccn2C)n1 257311153 UIFCXGUYCFABPA-CQSZACIVSA-N 329.404 1.886 0 40 EDAB C[C@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@@H](C)N1CC(F)(F)F 1615058144 LDHYXRIZMKIJMV-PHIMTYICSA-N 346.353 1.510 0 40 EDAB CC(C)C(=O)NC[C@H]1CCCN(S(=O)(=O)c2cccc(F)n2)C1 1615586850 PTFLTGYLVVRNDG-GFCCVEGCSA-N 343.424 1.394 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H]1CCc1ccccn1 1615615153 ULVKQRPLFUTMOU-OAHLLOKOSA-N 334.445 1.909 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)N1CCC2(CCOCC2)C1 1615615445 QMGBWSMDFKFPSC-LJQANCHMSA-N 330.428 1.825 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 575402535 CAKVTHWNUWNKOM-OAHLLOKOSA-N 340.445 1.571 0 40 EDAB CC(C)CCC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1 575405345 RSFPXIZITWHVFA-OAHLLOKOSA-N 334.420 1.757 0 40 EDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 27026777 OZMRQTFRKMUISI-BHAGLWOSSA-N 338.429 1.244 0 40 EDAB Cc1ccsc1CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 67627735 DQPKQEWTFDSAEH-NSHDSACASA-N 331.463 1.280 0 40 EDAB O=C(Nc1ccc(F)c(-n2cccc2)c1)N1CCS(=O)(=O)CC1 69778430 OZMQGRMRXMTMPD-UHFFFAOYSA-N 337.376 1.879 0 40 EDAB COC(=O)[C@]1(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)CCSC1 95444104 KDZDHYSTNFATMD-YOEHRIQHSA-N 335.425 1.772 0 40 EDAB COc1cccc(CCC(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 75143417 NYUJKUJOBHVZPC-GFCCVEGCSA-N 344.333 1.907 0 40 EDAB CCOC(=O)NCCNC(=O)NC[C@@H](c1ccco1)N1CCCC1 75605887 GEFHQRWRQNEBAZ-ZDUSSCGKSA-N 338.408 1.462 0 40 EDAB Cc1n[nH]c([C@H]2CN(Cc3nnc(Cc4ccccc4)o3)CCO2)n1 76048188 VQHFKSKQSVMJAH-CQSZACIVSA-N 340.387 1.660 0 40 EDAB COc1cc(CNC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)ccn1 95947821 QPJICIZMYNVERY-KRWDZBQOSA-N 339.395 1.680 0 40 EDAB Cc1cccc(-n2cc(C(=O)N3CCN(c4ccncc4)CC3)nn2)c1 89686166 ZLBNQELFQINIKU-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB O=C(CCc1nc(-c2ncn[nH]2)no1)N[C@@H]1C[C@H]1C1CCCCC1 89761976 AXLNKIPJFKWPJO-NWDGAFQWSA-N 330.392 1.872 0 40 EDAB COc1cccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c1 16505377 WRGVGZOLGJBQGO-UHFFFAOYSA-N 334.397 1.914 0 40 EDAB CCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(N)=O 16692170 QBLOSKDNTNAMLF-UHFFFAOYSA-N 326.418 1.795 0 40 EDAB Cc1cc2nc([C@@H](NC(=O)CN3CCCC3=O)C(C)C)cc(O)n2n1 19129499 MYBFTKFWYVIFRF-KRWDZBQOSA-N 345.403 1.179 0 40 EDAB CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C)CC1 19501919 MGONWCDNHUCAHL-INIZCTEOSA-N 332.427 1.949 0 40 EDAB CC(=O)N[C@@]12CCN(Cc3ccc(F)cc3)C[C@@H]1CN(C(C)=O)C2 19713045 LPXOYZQBVZOMHX-SJLPKXTDSA-N 333.407 1.385 0 40 EDAB CN(C(=O)Cn1cc(C(=O)NCC(F)F)ccc1=O)c1ccccc1 19750913 AJEFKJLZPMQWPS-UHFFFAOYSA-N 349.337 1.506 0 40 EDAB COCCOc1cccc(C(=O)N[C@H]2CS(=O)(=O)C2(C)C)c1 606444877 KAOKRKVHVOLOSA-ZDUSSCGKSA-N 327.402 1.017 0 40 EDAB NC(=O)c1ccc2c(ccn2[C@@H]2CN(Cc3cscn3)C[C@H]2O)c1 643913095 XDISITBNWCKRGC-HZPDHXFCSA-N 342.424 1.615 0 40 EDAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCOCC1 3344047 YDRBFHSWIJHFLS-UHFFFAOYSA-N 335.363 1.858 0 40 EDAB Cc1ncnc(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)c1F 1888842930 JTVFGSLGBJJFKI-UHFFFAOYSA-N 332.383 1.237 0 40 EDAB Cc1cc(N2CCC(NS(=O)(=O)C3CC3)CC2)nc(C2CC2)n1 1888866867 LIGSBOWETKLKIK-UHFFFAOYSA-N 336.461 1.713 0 40 EDAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)Cn2cccn2)C3)nc1 1888870259 QZGFWYSADYQEFF-YJBOKZPZSA-N 341.415 1.689 0 40 EDAB Cn1ccc2c(N3CCC[C@@H](C(=O)N4CCSCC4)C3)ncnc21 1889111386 IFGPCUGNHRUWRY-CYBMUJFWSA-N 345.472 1.760 0 40 EDAB COc1ccc2nccc(C(=O)N3CCN(C(=O)C4CC4)CC3)c2c1 1889186704 CPXWUBUAYTUBTA-UHFFFAOYSA-N 339.395 1.938 0 40 EDAB Cc1sc2ncnc(N3CCC[C@H](NS(C)(=O)=O)C3)c2c1C 75676670 QKJSNCDTSCLOFT-NSHDSACASA-N 340.474 1.826 0 40 EDAB CN(CCCNC(=O)c1ccc(Br)o1)S(C)(=O)=O 32915139 AYRCLSXASIMCFQ-UHFFFAOYSA-N 339.211 1.053 0 40 EDAB COc1nc(OC)nc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)n1 2087136697 BGQDBTZRDQWIOG-NSHDSACASA-N 337.424 1.362 0 40 EDAB O=C(C1CC(O)C1)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@H]21 1565554500 SXHWBIGICCQKOY-VVLHZNOGSA-N 346.427 1.375 0 40 EDAB O=C(CCc1ccc[nH]1)N1CCCn2c(nnc2Cn2ccnc2)C1 1565554279 MTWGDAVVWRDDBA-UHFFFAOYSA-N 339.403 1.216 0 40 EDAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(Cc2cn[nH]c2)C1 2055751252 ARUQBPRBLNQABJ-GOSISDBHSA-N 327.432 1.945 0 40 EDAB Cc1cccc(C(=O)N2CCC(C(=O)N(C)C)(n3cccn3)CC2)n1 2055772750 XNTFIPQHNCBSEA-UHFFFAOYSA-N 341.415 1.306 0 40 EDAB O=C(Cn1ccccc1=O)N1CCC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 2055830201 FMYBSZAHCUQXHW-VQIMIIECSA-N 346.427 1.425 0 40 EDAB O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)C(=O)NC1CC1 43943986 FONYNKLAZNIFSW-UHFFFAOYSA-N 347.390 1.073 0 40 EDAB Cc1ccc([C@H](CNC(=O)C(=O)NCC(F)(F)F)N(C)C)cc1 49488648 RASCYQWJXOJWIS-LBPRGKRZSA-N 331.338 1.392 0 40 EDAB O=C(COc1ccccc1)N1CC(c2nc(-c3cnccn3)no2)C1 49485235 SCVVXRLFGZGETB-UHFFFAOYSA-N 337.339 1.531 0 40 EDAB O=S(=O)(NC[C@H](OCCO)c1cccs1)c1ccccc1F 575620303 JIQLVRGZAYQQDV-LBPRGKRZSA-N 345.417 1.916 0 40 EDAB O=C(NCC[C@@H](CCO)c1ccsc1)C(=O)NCc1ccco1 575606700 IVEZDOXDFNKUDN-LBPRGKRZSA-N 336.413 1.630 0 40 EDAB O=c1cc2c(nn1CC1CCN([C@@H]3CCCC[C@@H]3O)CC1)CCC2 585501988 GVJUPFAHZSOQCF-MSOLQXFVSA-N 331.460 1.748 0 40 EDAB O=C(COc1ccccc1)NCc1cccnc1N1CCOCC1 31327076 GUUBRJJPDOMNAQ-UHFFFAOYSA-N 327.384 1.613 0 40 EDAB COc1ccc(CNC2CCN(S(C)(=O)=O)CC2)cc1OC 30656154 MVBCYWCTMRKDFS-UHFFFAOYSA-N 328.434 1.217 0 40 EDAB O=C(CN1CCC[C@@H](CO)C1)NCc1ccccc1OC(F)(F)F 40477525 IDBGUVYARBLWCN-GFCCVEGCSA-N 346.349 1.906 0 40 EDAB CC(=O)c1c[nH]c(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c1 40489938 IFKWRQHVGXYLNA-UHFFFAOYSA-N 343.358 1.955 0 40 EDAB CC(C)n1nc(C(=O)N[C@@H]2CCCCNC2=O)c2ccccc2c1=O 40521216 ZDNWXCGRSLJBCP-CQSZACIVSA-N 342.399 1.376 0 40 EDAB COCC(=O)N1CCN([C@H](C)c2nnc(-c3cccs3)o2)CC1 51914929 HWRDRHCQTBIUIF-LLVKDONJSA-N 336.417 1.650 0 40 EDAB OCCn1ncc2c1CCC[C@@H]2Nc1ncc(Br)cn1 95394294 CIJSXKSXVTUXAV-NSHDSACASA-N 338.209 1.917 0 40 EDAB COc1ccc(OC)c(CN2CCN(C(=O)c3cnn(C)c3)CC2)c1 29986138 BDVKHRJWSWOADG-UHFFFAOYSA-N 344.415 1.395 0 40 EDAB CC(C)n1nc2c(cc1=O)CN([C@H](C(N)=O)c1ccc(F)cc1)CC2 76064844 MSSKQVTXJJFGJJ-KRWDZBQOSA-N 344.390 1.548 0 40 EDAB Cc1nccn1CCCNC(=O)N[C@@H](C)C(=O)Nc1ccccc1 78988669 FPDYLHRIJGSVIQ-ZDUSSCGKSA-N 329.404 1.908 0 40 EDAB C[C@H](CC1CCCC1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 79310212 HXGOAMLSKPSGMR-CQSZACIVSA-N 344.521 1.828 0 40 EDAB Cn1nc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1=O 52916422 KQWYWVPWDLHHIK-CQSZACIVSA-N 341.367 1.529 0 40 EDAB C[C@@H]1CN(Cc2noc(C3CC3)n2)CCN1Cc1noc(C2CC2)n1 53608432 DBVWPAJEKAAGRR-LLVKDONJSA-N 344.419 1.914 0 40 EDAB CC[C@H](C)[C@H](C(=O)N[C@H](C)C(=O)OC)N1C(=O)c2ccccc2C1=O 103986102 VKNPVPBGTHEUGZ-MISXGVKJSA-N 346.383 1.375 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCc2ccccc2C1 6266895 HYSOMUWXYCOKLG-CQSZACIVSA-N 344.436 1.938 0 40 EDAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NS(C)(=O)=O 42279454 PWNNBELNJNSPQK-UHFFFAOYSA-N 338.433 1.637 0 40 EDAB CCNC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010063 OLYYMMNEBPCNPI-UHFFFAOYSA-N 328.459 1.699 0 40 EDAB O=C(Nc1ccccc1OC(F)F)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102309186 RALRHHSCMSKXTK-YFKTTZPYSA-N 325.267 1.881 0 40 EDAB CCOC(=O)c1csc(NC(=O)c2ccc(-n3cnnn3)cc2)n1 61721622 HMJKSKJWMWLYHY-UHFFFAOYSA-N 344.356 1.548 0 40 EDAB CN(C)C(=O)C1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 24829004 PEJVIKOZHJAHCL-KRWDZBQOSA-N 329.444 1.807 0 40 EDAB CC[C@H]1CN(C(=O)CCCNc2ncccn2)C[C@H]1N1CCOCC1 84735790 JIIOLQPMPRMWMW-JKSUJKDBSA-N 347.463 1.238 0 40 EDAB COc1cc(CNC(=O)c2cc(C)ccc2NS(C)(=O)=O)ccn1 25090018 QHWXVIXMIAGRBM-UHFFFAOYSA-N 349.412 1.700 0 40 EDAB O=C(COC(=O)c1cccc(O)c1)NC(=O)NCCc1cccs1 12599271 HXGVHCGHRBXXNU-UHFFFAOYSA-N 348.380 1.679 0 40 EDAB O=C(CNc1ccc(C(=O)N2CCOCC2)cc1)N1CCCCC1 55862363 LIQVJXPZCYVXEN-UHFFFAOYSA-N 331.416 1.583 0 40 EDAB CCN(C)[C@@H](C(=O)N[C@H](C)C(=O)N1CCOCC1)c1ccccc1 108076943 PPHUOXKEYWOUOS-GDBMZVCRSA-N 333.432 1.043 0 40 EDAB CCOc1ccc(C(=O)CN2C(=O)c3cccnc3S2(=O)=O)cc1 95457227 WNQDVFVYNFHUFB-UHFFFAOYSA-N 346.364 1.508 0 40 EDAB O=S(=O)(CCCOn1nnc2ccccc21)c1ccc(F)cc1 58080976 VVTZZZQYWYBOBA-UHFFFAOYSA-N 335.360 1.863 0 40 EDAB O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NC[C@H]1CCCO1 44715949 CAMBKHAPKVCBFY-CQSZACIVSA-N 341.411 1.959 0 40 EDAB C[C@@H](CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)N1CCCC1 48275546 PTMBFSZAWQFELS-HNNXBMFYSA-N 342.443 1.766 0 40 EDAB C[C@H]1CN(c2ccc(CNC[C@@H]3CNc4ccnn4C3)cn2)CCO1 58299855 VZRYMLKNRXOSDA-GOEBONIOSA-N 342.447 1.335 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1cc[nH]n1 58228142 FZBRWROOHMFCOJ-UHFFFAOYSA-N 347.806 1.142 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCCN1Cc1ccccc1)S(C)(=O)=O 58298405 NAJUDLKTTZDOJM-GDBMZVCRSA-N 338.473 1.590 0 40 EDAB O=C(NCc1ccnc(-n2ccnc2)c1)c1cccc2c1OCCO2 58281713 HVUMMHKVEIZARD-UHFFFAOYSA-N 336.351 1.969 0 40 EDAB COCCOCCCNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 58291229 DDAILXAGDDMQEB-UHFFFAOYSA-N 344.433 1.149 0 40 EDAB O=C(NCCCCCO)C(=O)Nc1ccccc1Br 170389871 LQMLGJVHUFKWFS-UHFFFAOYSA-N 329.194 1.666 0 40 EDAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 3322660 VRNFJIVKOIWOIG-KRWDZBQOSA-N 335.379 1.799 0 40 EDAB O=C(Cn1cccnc1=O)NC1CCN(CC2CCCCC2)CC1 58367926 SHXFVYQDEOERLA-UHFFFAOYSA-N 332.448 1.404 0 40 EDAB O=C(CNC(=O)c1ccsc1)NC[C@@H]1CCN(CC(F)(F)F)C1 58392279 XQOFUEXWDZXXGA-JTQLQIEISA-N 349.378 1.478 0 40 EDAB NS(=O)(=O)N1CCc2ccc(NC(=O)Cc3ccccc3F)cc21 58551349 DADAGSPDINBTSG-UHFFFAOYSA-N 349.387 1.573 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCc2cccnc2)no1 28200395 IRRHOTBFXLIFIL-LLVKDONJSA-N 334.401 1.755 0 40 EDAB CCn1nc(C)c2c1cnn2CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)O 57279855 VHOQZHCWVSVLNZ-QWHCGFSZSA-N 345.403 1.344 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)CCn1nc(-c2cccs2)oc1=O 45448521 FJMKDCWCDCZAGL-WDEREUQCSA-N 337.401 1.591 0 40 EDAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 29192680 DYOLADRZVGUUFH-HNNXBMFYSA-N 349.456 1.490 0 40 EDAB C[C@H](C(=O)N1CCN(Cc2cccc(Cl)c2)CC1)n1cncn1 29756666 ZNWGYXJVJYALNM-CYBMUJFWSA-N 333.823 1.837 0 40 EDAB COC(=O)[C@@H](NC(=O)CNC(=O)NCc1ccco1)c1ccccc1 71185600 NAWDXASYKOSQJX-HNNXBMFYSA-N 345.355 1.109 0 40 EDAB O=C(NCCn1nc2ccccn2c1=O)c1cc(-c2ccccc2)[nH]n1 65402603 CTWZVBRNTMWAJB-UHFFFAOYSA-N 348.366 1.316 0 40 EDAB c1cc2c(cc1CNCc1cnc(N3CCOCC3)nc1)OCCO2 65487480 NJQMLDMMCSRSNY-UHFFFAOYSA-N 342.399 1.374 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)N=c2[nH]c3ccccc3[nH]2)cc1 6343610 CPMUZVRDGXEAOX-UHFFFAOYSA-N 344.396 1.487 0 40 EDAB CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCCCn1cccn1 65565625 JQTIDBQWYMQNRP-ZDUSSCGKSA-N 338.477 1.727 0 40 EDAB O=C1[C@@H]2CSCN2C(=O)CN1Cc1cccc(C(F)(F)F)c1 5323512 XTYJQQNPUDHFNG-NSHDSACASA-N 330.331 1.949 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 14265318 XTAXYDHGWSHARP-UHFFFAOYSA-N 325.324 1.809 0 40 EDAB COc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)c(OC)c1 5452107 URCGSSUEDUJUOL-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cnc(-c2cnn(C)c2)s1 66376848 NCQQRFMCSGMASL-NXEZZACHSA-N 333.417 1.270 0 40 EDAB CCOC(=O)c1c(NC(=O)C(N)=O)sc2c1CC(C)(C)OC2 6759785 QBTOOGBZCSVRBG-UHFFFAOYSA-N 326.374 1.200 0 40 EDAB CCOCCC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 66421143 AFGSVEWOXMPLIY-HOTGVXAUSA-N 339.480 1.252 0 40 EDAB COC(=O)C(C)(C)NC(=O)CNC(=O)NCc1ccc(Cl)cc1 66612241 LMBMEVMJNFZAJK-UHFFFAOYSA-N 341.795 1.207 0 40 EDAB CC(C)N1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2Cl)C1=O 114742968 BGQHCBQQNRCNBC-LLVKDONJSA-N 334.800 1.767 0 40 EDAB CC[C@@H]1CN([C@@H](C)C(=O)NCc2ccccc2C)CCN1C[C@@H](C)O 72279747 OBQLUIHPFWKKSM-ZIFCJYIRSA-N 347.503 1.777 0 40 EDAB COc1cc(-n2cnnn2)ccc1NC(=O)c1cnc2ccccc2n1 15084156 BNTNSKLMBGYQCC-UHFFFAOYSA-N 347.338 1.866 0 40 EDAB COc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2nnc(C)s2)n1 4999479 STGPMROWIPSOGC-RXMQYKEDSA-N 327.391 1.058 0 40 EDAB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1O 5987000 UDILXZOXNUWTFY-NSHDSACASA-N 342.351 1.984 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)CN1C(=O)CSc2ccccc21 68020169 RENPDPGMQBDHKE-RYUDHWBXSA-N 349.456 1.545 0 40 EDAB CSc1ncccc1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 7813526 GJGQPGDWAYAAJL-ZDUSSCGKSA-N 335.429 1.267 0 40 EDAB CN(C)c1ccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 72294464 MWCHCRFNJZUXRL-UHFFFAOYSA-N 336.417 1.246 0 40 EDAB CCn1c(C)cc(C(=O)COC(=O)CNC(=O)c2ccco2)c1C 8343088 HSFOYMRKVLXOTJ-UHFFFAOYSA-N 332.356 1.874 0 40 EDAB COc1ccc(-n2nnc(C(=O)N3CCN(C4CC4)CC3)c2C)cc1 71836672 QEXHVRQDOHPLQM-UHFFFAOYSA-N 341.415 1.505 0 40 EDAB COc1ccccc1CC(=O)N1CCN(c2nc(C)cc(C)n2)CC1 71836852 CYAZAVPRIRHLSK-UHFFFAOYSA-N 340.427 1.993 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)c1 69520675 GFZICFLWIIBLIA-MRXNPFEDSA-N 329.400 1.864 0 40 EDAB CC(C)n1cc(CN2CCCN(C(=O)[C@H](C)n3cccn3)CC2)cn1 69568510 KJTWGUMYHOXLHD-INIZCTEOSA-N 344.463 1.956 0 40 EDAB O=C(CN1CCC(c2cc3ccccc3[nH]2)CC1)N1CCNC1=O 71841195 JJZHGBZIFZZSQN-UHFFFAOYSA-N 326.400 1.899 0 40 EDAB COC(=O)CCCS(=O)(=O)NC[C@H](c1cccc(F)c1)N(C)C 69661760 RJNJKDVCJPWGMO-CQSZACIVSA-N 346.424 1.301 0 40 EDAB C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1CC(=O)NC(=O)NC1CC1 69663802 IQAXVMNHZQTOMM-IIYDPXPESA-N 331.416 1.825 0 40 EDAB C[C@H](Cn1cccn1)NC[C@@H](O)CN1CCN(c2ccccc2)CC1 69697371 HBOFGRKUYUQYPP-IEBWSBKVSA-N 343.475 1.044 0 40 EDAB CCN(CC)CCn1cc(NC(=O)c2ccc3c(c2)nnn3C)cn1 71847373 BCGDVTLTNMMKMA-UHFFFAOYSA-N 341.419 1.759 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)CN1CCc3sccc3C1)C2 71864922 QGNIVZNKRDIDQD-UHFFFAOYSA-N 345.472 1.864 0 40 EDAB C[C@H](N[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)C(=O)N1CCCC1 69739698 ARAZTKPLZSFXEK-DZGCQCFKSA-N 347.463 1.512 0 40 EDAB CN(CC(=O)N1CCC(N2CCNC2=O)CC1)Cc1ccccc1 71841429 PVJBBUKAKSSSKC-UHFFFAOYSA-N 330.432 1.135 0 40 EDAB COc1c(C)cnc(CNC(=O)N2CCC(n3cncn3)CC2)c1C 69975262 AJBKKIHYGGDPLJ-UHFFFAOYSA-N 344.419 1.845 0 40 EDAB CCCS(=O)(=O)NC1CCN(CCc2scnc2C)CC1 71915626 ADQRSLHXGAJSMD-UHFFFAOYSA-N 331.507 1.788 0 40 EDAB COc1cc2nc(NN)n(CCc3ccccc3)c(=O)c2cc1OC 408712613 BFOZFEODSLVXRA-UHFFFAOYSA-N 340.383 1.942 0 40 EDAB CC1(C)C[C@@H](C(=O)N(Cc2n[nH]c(=O)[nH]2)c2ccccc2)CCO1 72404561 RCWYVBNHKIISTK-LBPRGKRZSA-N 330.388 1.836 0 40 EDAB COc1ccc([C@H](C)N[C@@H]2CCS(=O)(=O)C2)cc1Cn1cccn1 95419507 VEUKMAQNENMEGV-XJKSGUPXSA-N 349.456 1.778 0 40 EDAB Cn1cccc1C(=O)NC(=O)CSc1nc(N)c2ccsc2n1 9743712 XIFPPUDZYZNSKJ-UHFFFAOYSA-N 347.425 1.661 0 40 EDAB O=C([C@@H]1CCCN1C(=O)C1CC1)N1CCN(c2ccc(F)cc2)CC1 73720262 XNCQMIMFWFLOBA-KRWDZBQOSA-N 345.418 1.875 0 40 EDAB O=C(NC[C@H](O)Cc1ccccc1)[C@H]1CCCN1c1nccs1 95966551 ZWUBBJTVOKVXRI-HUUCEWRRSA-N 331.441 1.832 0 40 EDAB C[C@H](CO)NS(=O)(=O)c1cc(N(C)C)ccc1Br 95980842 XYDJGIWIEKQLPU-MRVPVSSYSA-N 337.239 1.174 0 40 EDAB CNC(=O)[C@H](NC(=O)C(F)(F)C1(O)CCC1)c1ccc(F)c(F)c1 95978168 DJADAFZETFKNHC-LLVKDONJSA-N 348.296 1.418 0 40 EDAB CNS(=O)(=O)CCCN1CCC[C@@H]1c1cccc(N(C)C)c1 75838850 UVZYWWUJMNWLBS-MRXNPFEDSA-N 325.478 1.829 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)CCO1 110658587 ZBCCTTSYOJABGW-BOSXTWCSSA-N 342.439 1.748 0 40 EDAB CCn1cc(C(=O)NC[C@H]2CCCO2)c(=O)c2cc(OC)ccc21 22235703 NEUOCEHBCGATLS-CYBMUJFWSA-N 330.384 1.939 0 40 EDAB CCC1(N)CCN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)CC1 1551540580 KBQNTMRMRQROBC-TZMCWYRMSA-N 334.386 1.441 0 40 EDAB CCc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C1=O 409308220 WPRHYGNFGCGTBR-BKEDOTJMSA-N 341.363 1.435 0 40 EDAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(C)o2)C1=O 409199980 GFZHOHWYPMXZFO-WQLSENKSSA-N 338.385 1.777 0 40 EDAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCn1cnnn1 524732952 FQTVGFOGULADTR-HNNXBMFYSA-N 340.387 1.747 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2cccc(C)c2C)s1 36182779 TUMNDYCZVUYOLR-UHFFFAOYSA-N 326.403 1.914 0 40 EDAB CC(C)C(=O)N1CCO[C@H](c2ncncc2-c2ccnc(N)c2)C1 72370841 BKZHZPJZVHIXKN-AWEZNQCLSA-N 327.388 1.677 0 40 EDAB CCN(C[C@H]1CCCN(C(=O)CN)C1)C(=O)OCc1ccccc1 79412418 UJQAAODWTBUNJN-MRXNPFEDSA-N 333.432 1.842 0 40 EDAB O=S(=O)(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1)c1ccccc1 72321666 FYCUNSCYNVTDPR-QBPKDAKJSA-N 333.409 1.243 0 40 EDAB biogenic,in-vitro COc1cccc(N2CCN(c3nc(OC)cc(OC)n3)CC2)c1 448222782 ACOXOSYXDDEPBJ-UHFFFAOYSA-N 330.388 1.829 0 40 EDAB CS(=O)(=O)N1CC[C@@H](c2ccc(Br)cc2)[C@H](O)C1 2362797612 UFKCHRQWLNRMQW-NWDGAFQWSA-N 334.235 1.559 0 40 EDAB Cc1nc(NCc2ccc(S(N)(=O)=O)cc2)c2c(n1)c(C)nn2C 32650428 HYEKUHSSSYBOGB-UHFFFAOYSA-N 346.416 1.240 0 40 EDAB CCCNC(=O)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1 35314179 VXCZHIYWTYEROD-UHFFFAOYSA-N 328.420 1.356 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 11412871 IGLHLBHCFVEFOS-GFCCVEGCSA-N 326.400 1.615 0 40 EDAB C[C@@H](O)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C 192554776 CPLRQQKXFYCCQJ-ZWNOBZJWSA-N 333.354 1.988 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 223207134 AXXLVGVTPICRQV-UHFFFAOYSA-N 342.403 1.039 0 40 EDAB O=C(Cc1ccc(I)cc1)N1CC[C@H](CO)C1 190991190 SLHHUARIARLBQN-NSHDSACASA-N 345.180 1.675 0 40 EDAB CC(C)CN1C[C@@H]2CN(C(=O)C3CCOCC3)CCN2C(C)(C)C1 514289515 NAFMGJDVJQPXEX-QGZVFWFLSA-N 337.508 1.676 0 40 EDAB biogenic,in-vitro CCc1nc(CNc2cccc(S(=O)(=O)NC3CC3)c2C)no1 86210378 YSWXXLNSUOROFK-UHFFFAOYSA-N 336.417 1.993 0 40 EDAB CO[C@H](CNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)s1 225707155 GBCWKEYBIUNTEK-SECBINFHSA-N 335.838 1.801 0 40 EDAB CC(C)NC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2cccs2)C1 223192551 FDYZVOIZZIJMOC-LBPRGKRZSA-N 337.445 1.241 0 40 EDAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2C[C@H]3CN4CCCC[C@H]4[C@H]3C2)C1 96420584 FTBSGHCCYDCLDL-BDXSIMOUSA-N 345.487 1.578 0 40 EDAB O=c1ccc2c(n1CCn1cccn1)CC[C@@H](NCc1ccoc1)C2 96189797 DIEVRCCRDNPLLJ-QGZVFWFLSA-N 338.411 1.985 0 40 EDAB O=C(NCc1ccco1)[C@H]1COC[C@H]2CN(Cc3ccccn3)C[C@H]21 96040756 ZXJWUHZDCHWDHY-OLMNPRSZSA-N 341.411 1.685 0 40 EDAB Fc1cnc(N2CCO[C@]3(CCCN(c4nncs4)C3)C2)nc1 96226604 PJGFIAVLTGZVAQ-CQSZACIVSA-N 336.396 1.343 0 40 EDAB O=C(c1c[nH]cn1)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96073800 MANAONPQULTRKV-LRDDRELGSA-N 346.366 1.215 0 40 EDAB O=C([C@H]1CCCO1)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 96238727 DURYVKMPIVKLPJ-QAPCUYQASA-N 332.375 1.960 0 40 EDAB COc1ccc(CN2C[C@H](NC(=O)N(C)C)[C@@H]3OCCC[C@@H]32)cc1 96185845 XHYSJRFYNCRBJM-ULQDDVLXSA-N 333.432 1.698 0 40 EDAB CCOc1ccc([C@@H](N)c2n[nH]c(Cn3cccn3)n2)cc1OC 95534267 PQSNFOLSVDADNZ-OAHLLOKOSA-N 328.376 1.505 0 40 EDAB O=C(CN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)NCc1ccc(F)cc1 583614670 BOLIOOBOFVGFGH-BBWFWOEESA-N 336.407 1.304 0 40 EDAB CCc1ccnc(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 583618088 BPYYOUARCRPSQM-KRWDZBQOSA-N 329.404 1.550 0 40 EDAB O=S(=O)(C1CC1)N1CCC2(CC1)C[C@H](Oc1cccnc1)CO2 96221772 RLBXMFWPLWSFTD-AWEZNQCLSA-N 338.429 1.576 0 40 EDAB CN(C)C(=O)COC[C@@]12CCO[C@@H]1CCN(CCc1ccccc1)C2 96110349 XBWCRPMGMWPCEQ-QUCCMNQESA-N 346.471 1.815 0 40 EDAB CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1=O 96444591 NLPZMWZSOHXYSO-FRRDWIJNSA-N 349.397 1.634 0 40 EDAB CCCn1nnnc1CN1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 96444945 YJLMMWFWRONLEC-AWEZNQCLSA-N 343.435 1.637 0 40 EDAB CCc1cnc(N2CCC3(CC2)C(=O)N(C)CCN3CC(C)C)nc1 96230261 QEZSZZSJVZWZDQ-UHFFFAOYSA-N 345.491 1.808 0 40 EDAB O=C(C1CCCC1)N1CCO[C@]2(COCCN(c3ncccn3)C2)C1 96076724 QNYRVHTXMVJQEN-GOSISDBHSA-N 346.431 1.101 0 40 EDAB Cn1ccnc1CN1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 96249707 BPEAOENZVXDQBM-QZTJIDSGSA-N 341.459 1.538 0 40 EDAB O=C(NC1(c2nc(C3CC3)no2)CCOCC1)OC[C@H]1CCCO1 585088457 VWBGAUGQPLLJCJ-GFCCVEGCSA-N 337.376 1.858 0 40 EDAB CC(C)N1Cc2ccnn2[C@@H](CNS(=O)(=O)c2ccccc2)C1 247962389 AANANXQKWCWFDA-HNNXBMFYSA-N 334.445 1.627 0 40 EDAB CC(C)(C)OC(=O)[C@H]1Cn2cnnc2CN1C(=O)Cc1ccoc1 585113912 XANGDYPZPLFOKM-GFCCVEGCSA-N 332.360 1.166 0 40 EDAB CC1CCN(C(=O)COc2ccc(N3C(=O)CCC3=O)cc2)CC1 585122915 IMCCLFBOASBVOH-UHFFFAOYSA-N 330.384 1.977 0 40 EDAB CCc1nc(C)cc(N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)n1 585132806 WTIVTVWARPOGJK-AWEZNQCLSA-N 338.477 1.047 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)c2ccsc2)C1 257208896 BNZWCLLRIHKTPA-VIFPVBQESA-N 325.415 1.504 0 40 EDAB CCNC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253572593 QJDKVHJGPXIGAA-ZJUUUORDSA-N 333.392 1.123 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3nccc(C)n3)C2)cc1 257201508 AHYBNAGUPGOVHY-CYBMUJFWSA-N 333.413 1.972 0 40 EDAB CNc1cncc([C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)n1 257227844 FREVWMFKLYSELS-AWEZNQCLSA-N 337.387 1.627 0 40 EDAB Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@H]32)nn1 257265991 MBDUQKYSYWVOHO-OWCLPIDISA-N 340.431 1.355 0 40 EDAB CC(C)c1nnsc1C(=O)NC[C@]1(O)CCN(c2ccccn2)C1 257233602 GPXCFIYNMYRLSV-MRXNPFEDSA-N 347.444 1.428 0 40 EDAB CNc1ncccc1CN1CCO[C@@H](CCc2cc(O)ncn2)C1 257265778 MAFIZEXIHARHCA-HNNXBMFYSA-N 329.404 1.453 0 40 EDAB O=C(c1ccnc(N2CCCC2)c1)N1CCOC[C@H]1c1ccn[nH]1 257308144 TVPDSFQKGUEPFF-HNNXBMFYSA-N 327.388 1.619 0 40 EDAB O=C(CN1CCCC1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257323233 WJGJXEGIJSPBBS-HXUWFJFHSA-N 343.471 1.104 0 40 EDAB COc1ccc([C@@H]2CNCCN2C(=O)C2CCN(C(C)=O)CC2)cc1 257309720 UCCZDZXIBNYKKO-SFHVURJKSA-N 345.443 1.427 0 40 EDAB CCc1n[nH]c(=O)c(CNC(=O)c2cc(C)cc(C(=O)O)c2)c1CC 263197344 JJQGZFPSUJYNAL-UHFFFAOYSA-N 343.383 1.831 0 40 EDAB C[C@@]1(C(=O)Nc2cccc(-n3cc(C(=O)O)nn3)c2)CCCOC1 263524066 IUSWRTFHBPOXGC-MRXNPFEDSA-N 330.344 1.721 0 40 EDAB O=C(O)c1cnc(C(=O)NCC2([C@H](O)c3ccccc3)CC2)cn1 263441431 PWRPDOKWMGNWQD-CQSZACIVSA-N 327.340 1.418 0 40 EDAB CC(C)(C)OC(=O)CN1CC[C@@H](n2cc(-c3ccncc3)nn2)C1=O 603257380 NICDEGCBWGHWIZ-CQSZACIVSA-N 343.387 1.455 0 40 EDAB COC(=O)c1nc(NC(=O)[C@H](C)n2cnnn2)sc1CC(C)C 604419038 OENSFCUPJRRKQZ-QMMMGPOBSA-N 338.393 1.314 0 40 EDAB CCn1nncc1CNC(=O)c1cccc(C(=O)N2CCCCC2)c1 1615615361 PJFQHXXMBSMUHO-UHFFFAOYSA-N 341.415 1.854 0 40 EDAB CC[C@H]1CN(c2nnnn2Cc2cccc(C(N)=O)c2)C[C@@H](CC)O1 1616034083 WAVIXXNSGMBEFC-GASCZTMLSA-N 344.419 1.214 0 40 EDAB O=C(NCc1ccco1)C(=O)NC[C@](O)(c1ccoc1)c1ccco1 390826562 NHJNLUFYIXQDFK-KRWDZBQOSA-N 344.323 1.134 0 40 EDAB O=C(c1cc[nH]n1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575414632 FRKDLEBMIGDLJB-LBPRGKRZSA-N 325.415 1.473 0 40 EDAB Cc1cc(CC(=O)N2CC[C@](O)(COc3ccccc3)C2)ccn1 585276512 MEDQEXJSGWMNBY-LJQANCHMSA-N 326.396 1.975 0 40 EDAB CC1(C)CN(C(=O)C2CC2)CCN1C(=O)CCSCC(=O)O 585134086 DKHSWUJGDXLCNK-UHFFFAOYSA-N 328.434 1.054 0 40 EDAB Cc1cn(C(C)(C)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cn1 585141721 XIZNWJNWIXPYMR-HNNXBMFYSA-N 332.448 1.691 0 40 EDAB CCNC(=O)COC(=O)c1cccc(I)c1 3295890 NJMUMRIOMBFPCW-UHFFFAOYSA-N 333.125 1.584 0 40 EDAB O=C(NCCOc1ccc(F)cc1F)[C@H]1CCCN1C(=O)C1CC1 71882773 IPFUNYRJWIPZNY-CQSZACIVSA-N 338.354 1.861 0 40 EDAB O=C(c1csc(I)c1)N1CCC[C@H](O)C1 71886378 IKORWGXNMVPRGO-QMMMGPOBSA-N 337.182 1.950 0 40 EDAB COCCN1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)CC1 72282590 LXPGFPJFPJJZJF-GQCTYLIASA-N 330.428 1.815 0 40 EDAB CCn1cnnc1CNC(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 46965085 VCJSYIUGFDSVIA-KBPBESRZSA-N 337.424 1.168 0 40 EDAB Cc1ccccc1C[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 55556710 NVHPXGDBWDGYIK-LBPRGKRZSA-N 329.400 1.360 0 40 EDAB O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)NC[C@@H]1CCCO1 49026280 ANAPTRLUVINXNG-LBPRGKRZSA-N 339.342 1.502 0 40 EDAB CN1CC[C@@H](NC(=O)NCCc2csc(-c3ccccc3)n2)C1=O 84904310 MHSAXXZRBWJJJW-CQSZACIVSA-N 344.440 1.883 0 40 EDAB COc1ccccc1C[C@@H]1CCCN1C(=O)CN1CCC(=O)NC1=O 75610465 PVBKWLOGZWXMHX-AWEZNQCLSA-N 345.399 1.171 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)no1 76046530 HJZANHQEFJFXQB-AWEZNQCLSA-N 341.371 1.885 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1nnc2ccccn12 88381413 YJZNYEBPPFWCJS-SNVBAGLBSA-N 326.364 1.540 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(Cc4cccnc4)CC3)nn2)n1 301187370 SZMCXVGTLHVTQJ-UHFFFAOYSA-N 335.415 1.688 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@H](c3ccnc(C)n3)C2)n(C)n1 585145865 LSSMAMMQRTVKKL-AWEZNQCLSA-N 328.420 1.645 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)no1 585613852 SMGAYHQWBYHLIC-ZIAGYGMSSA-N 339.399 1.859 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2nn[nH]c2-c2ccccc2)CC1 188910263 MHLAHDVBSVTYNI-UHFFFAOYSA-N 343.387 1.822 0 40 EDAB CO[C@H]1[C@H](CNC(=O)c2ccc3c(c2)CCCC3)COC[C@H]1OC 1615128063 HNAXQXVEMOMMJV-KURKYZTESA-N 333.428 1.972 0 40 EDAB Cn1nc(C2CCN(C(=O)CN3CCCC3=O)CC2)c2cccnc21 12186734 JELVCCZTPIZZDC-UHFFFAOYSA-N 341.415 1.297 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1)N1CCOCC1 19078405 VNSFDOHQQXRYGE-GDBMZVCRSA-N 342.443 1.990 0 40 EDAB CN1C[C@H](C(=O)N2CCC[C@H](c3cc4cccnc4[nH]3)C2)CC1=O 19587251 UXSMKQFVPFVTSS-UONOGXRCSA-N 326.400 1.747 0 40 EDAB CC(=O)NC1CCC(NC[C@H]2CCCN(c3ncccn3)C2)CC1 161706430 NUZUOSKTYAQTBE-KLAILNCOSA-N 331.464 1.730 0 40 EDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H](C)Oc1cccnc1)CC2 151551192 OPPAFQPTHXAARW-FVQBIDKESA-N 334.416 1.627 0 40 EDAB CN1CCOC[C@@H]1C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 585124226 HTZKVURKDBGBKK-OAHLLOKOSA-N 339.798 1.950 0 40 EDAB NC(=O)c1ccc(-c2nnn(Cc3cc(-c4ccco4)on3)n2)cc1 7875765 XNZCNQNKEBKTBA-UHFFFAOYSA-N 336.311 1.735 0 40 EDAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3cccnc3)ccc21 13583389 IXJPGZDKUWDCMG-UHFFFAOYSA-N 345.424 1.724 0 40 EDAB COc1ncccc1C(=O)NCCn1c(C)nc2sccc2c1=O 244950852 FONXRFMTCVXOPL-UHFFFAOYSA-N 344.396 1.600 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@]3(CCCN(c4ncccn4)C3)C2)c1 2056223665 ZCYNLTTVHDITLR-SFHVURJKSA-N 340.431 1.733 0 40 EDAB CN1CCO[C@H]2CN(C(=O)c3ccc4c(ccn4C)c3)CC[C@H]2C1 1565553325 UJWXZWAGOJGMFL-WMZOPIPTSA-N 327.428 1.971 0 40 EDAB O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)c1ccccc1 4139792 LPJUCUOCBRZUDZ-UHFFFAOYSA-N 345.362 1.919 0 40 EDAB Cc1ccc(-n2nnnc2Cc2nnnn2-c2ccc(C)cc2)cc1 4320513 XOLHDWLPSDAAIF-UHFFFAOYSA-N 332.371 1.846 0 40 EDAB Cc1ccc2nc(NC(=O)CSc3nncc(=O)n3N)sc2c1 4338181 RUCICBAZXJIJNB-UHFFFAOYSA-N 348.413 1.001 0 40 EDAB CCn1cc(CN2CCC(C(=O)N(C)C)(n3cccn3)CC2)cn1 2055772719 UKBWHWKXAFHTSR-UHFFFAOYSA-N 330.436 1.179 0 40 EDAB COc1ccc(CN2CCC[C@@](C(=O)N(C)C)(n3cccn3)C2)cc1 2055771534 FQEFFBXTCGAVSY-LJQANCHMSA-N 342.443 1.971 0 40 EDAB COc1nc(CNC(=O)c2ccc3ncsc3c2)nc(N(C)C)n1 575607451 NNGPCPZMUFBXOQ-UHFFFAOYSA-N 344.400 1.486 0 40 EDAB Cn1cccc(C(=O)NC[C@@H](c2ccsc2)n2cccn2)c1=O 575614227 PXZUYOMHLRPZBG-AWEZNQCLSA-N 328.397 1.663 0 40 EDAB COc1ccc(CCC(=O)NCCOCCn2ccnc2)c(OC)c1 575619656 LMCLBJRMLCFXEW-UHFFFAOYSA-N 347.415 1.666 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618254632 BUBTUEHDZZHUMX-RYUDHWBXSA-N 337.405 1.440 0 40 EDAB CCOC(=O)c1ccc(NC(=O)c2cn(C)c(=O)cc2OC)cc1 225651329 AELSOWGFYPPEPU-UHFFFAOYSA-N 330.340 1.823 0 40 EDAB Cc1nc(C)c(CC(=O)N(C)Cc2ccc3c(c2)OCCO3)c(=O)[nH]1 31207156 WOAMPZVQOOPKSV-UHFFFAOYSA-N 343.383 1.359 0 40 EDAB COc1ccc(S(=O)(=O)NCCc2ncc3ccccn23)cc1 31773158 SSLFNWGXGONJJP-UHFFFAOYSA-N 331.397 1.864 0 40 EDAB Cn1c(C(=O)N2CCN(S(C)(=O)=O)CC2)cc(Cl)c1Cl 40540257 CVTSXIWMWZNTPT-UHFFFAOYSA-N 340.232 1.049 0 40 EDAB CCCCC(=O)NC1CCN(Cc2nnnn2-c2ccccc2)CC1 40540291 NOYLOYHPCUYHKK-UHFFFAOYSA-N 342.447 1.933 0 40 EDAB CCc1cc(N2CCN(Cc3cc(C)no3)CC2)n2ncnc2n1 51500835 XALBGLLAVNYEPB-UHFFFAOYSA-N 327.392 1.305 0 40 EDAB CS(=O)(=O)NCCc1ccc(C2=CSC3=NCCN23)s1 101914481 VIEMDQGMGSAIPW-UHFFFAOYSA-N 329.472 1.557 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1cccnc1 32759116 JEKZSGYQHGWPMX-LLVKDONJSA-N 340.426 1.525 0 40 EDAB CCCn1nc2c(cc1=O)CN(Cc1cn3ccsc3n1)CC2 76064618 HBEXXMAATNBUOI-UHFFFAOYSA-N 329.429 1.921 0 40 EDAB CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 558210 LLBCXWJCLBQVBG-UHFFFAOYSA-N 348.472 1.824 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@@H]1N1CCOCC1 76053217 CYSQCAYWCAWIIY-ZBFHGGJFSA-N 344.415 1.317 0 40 EDAB CN1N=C(C(=O)N2CCN(Cc3ccccc3F)CC2)CCC1=O 21905789 NIRQAZHEDNQZCT-UHFFFAOYSA-N 332.379 1.078 0 40 EDAB CS(=O)(=O)c1ccc(OCn2nnc3ccccc3c2=O)cc1 53049683 GMSRTAYBPAPZKX-UHFFFAOYSA-N 331.353 1.232 0 40 EDAB CCN1C[C@H](C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)CC1=O 78935717 UIVAKLHSIFTHGJ-ZACQAIPSSA-N 330.428 1.970 0 40 EDAB CN1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)C(C)(C)C1=O 79074691 AKFPFCJKPRLZQK-MRXNPFEDSA-N 329.444 1.733 0 40 EDAB O=C(CNC(=O)c1cccc(C(F)(F)F)c1F)Nc1cn[nH]c1 79800501 GXDHYXZXDISBJL-UHFFFAOYSA-N 330.241 1.936 0 40 EDAB CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2CC)c1 4168770 ZGQBDJKYBPGYER-UHFFFAOYSA-N 334.405 1.772 0 40 EDAB CC(C)(C)CC(=O)NCC(=O)NCc1cccnc1-n1ccnc1 53442961 LKPCSCVKEXYCBR-UHFFFAOYSA-N 329.404 1.436 0 40 EDAB COCCOc1ncccc1C(=O)Nc1ccc2oc(=O)[nH]c2c1 53443842 BZKJDSPYQBFCDW-UHFFFAOYSA-N 329.312 1.794 0 40 EDAB CN(C)c1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cn1 22420193 IVGRHLJGVQCDQK-UHFFFAOYSA-N 345.428 1.912 0 40 EDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCO[C@@H]2CCCC[C@H]21 53516602 ADVCNEHCENCASZ-HUUCEWRRSA-N 345.378 1.649 0 40 EDAB CC(C)c1ccc([C@]2(C)NC(=O)N(CCS(C)(=O)=O)C2=O)cc1 53573450 RGXQHKYCVDCICH-INIZCTEOSA-N 338.429 1.622 0 40 EDAB O=C(NCC1CCC1)N1CCN(Cc2nnc3n2CCCCC3)CC1 47053142 VNBINKHDJNTCTB-UHFFFAOYSA-N 346.479 1.632 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1 23157153 SRTOZVVDLDFXGR-ZDUSSCGKSA-N 329.360 1.078 0 40 EDAB COCc1cccc(CNC(=O)c2nc3nc(C)cc(C)n3n2)c1 47202134 RKRHCEPICGYJEV-UHFFFAOYSA-N 325.372 1.818 0 40 EDAB CCN(CC)S(=O)(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 23404138 ZQWFIHBUBCESMV-CQSZACIVSA-N 340.424 1.825 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)CCOc3ccccc32)n1C 23575698 NYGXABGKEPRHIT-UHFFFAOYSA-N 327.384 1.765 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)N[C@H](C)CO)cc2F)C[C@H](C)O1 61722627 JNBZVPSBWAHCQJ-WOPDTQHZSA-N 325.384 1.942 0 40 EDAB CS[C@@H](CO)[C@@H](C)NC(=O)CCCc1nc(C(C)(C)C)no1 95426676 PHTZFQREGWZMCD-MNOVXSKESA-N 329.466 1.918 0 40 EDAB CCC[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1 24654115 LIKRPPAAERYNNM-HNNXBMFYSA-N 339.461 1.560 0 40 EDAB CCOC(=O)Cc1c(C(=O)OCC)sc(N)c1C(=O)OCC 95215250 OCUGKFBTXDQKRY-UHFFFAOYSA-N 329.374 1.789 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(Cc2cscn2)CC1 55437150 CVNTZZYNSRCVTF-UHFFFAOYSA-N 345.424 1.759 0 40 EDAB C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)[C@H]1C[C@H]2CC[C@H]1C2 106656772 GADKHTYZANLQKE-AOLWHUPESA-N 336.457 1.817 0 40 EDAB O=C(c1cc(-c2cccnc2)on1)N1CCC(N2CCNC2=O)CC1 55786753 CORDTSUYPHBUFX-UHFFFAOYSA-N 341.371 1.366 0 40 EDAB Cc1cc(CN2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)on1 25303666 SKBNMJYXHWVBBI-MRXNPFEDSA-N 349.406 1.680 0 40 EDAB Cc1noc(COC(=O)Cn2cnc3c(oc4ccccc43)c2=O)n1 25448304 VAWSDPGTOVXOMD-UHFFFAOYSA-N 340.295 1.578 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)C2)c(OC[C@@H]2CCCO2)c1 56303421 RQLMTOLVHSBTBB-KBPBESRZSA-N 332.400 1.970 0 40 EDAB COc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(F)cc2)cc1 3240652 CKZJROUPCSFOGR-UHFFFAOYSA-N 345.326 1.990 0 40 EDAB CC[C@@H]1CCCCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 27027151 RSJKHNOCQRCMCB-CYBMUJFWSA-N 329.400 1.871 0 40 EDAB CN1CC[C@@H](C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CC1=O 44623096 GETBUHSVQUJAAN-IAGOWNOFSA-N 345.443 1.045 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cn1 12647827 XMNGSNQVJFQAAF-UHFFFAOYSA-N 333.369 1.410 0 40 EDAB Cc1ccc(O)c(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 48231890 BLRNZAOIQNUDOA-UHFFFAOYSA-N 341.410 1.905 0 40 EDAB O=S(=O)(N1CCCC1)N1CCN(Cc2cccc(F)c2F)CC1 44897310 KEAPSUNHFJMKQO-UHFFFAOYSA-N 345.415 1.423 0 40 EDAB COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCN(C)CC1 58295944 UQIYXDGDCGXGDC-UHFFFAOYSA-N 332.809 1.063 0 40 EDAB COc1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)ccc1OCC(N)=O 58264934 PQSAZFVROUAYRW-ZIAGYGMSSA-N 348.399 1.343 0 40 EDAB COC(=O)CCN(CC(=O)Nc1cc(C)on1)Cc1ccccc1 58264333 CSCWZXXUYWMIOL-UHFFFAOYSA-N 331.372 1.987 0 40 EDAB Cc1csc(N2CCN(C(=O)NCCNc3ncccn3)CC2)n1 44971441 RCSOTNCNMKWRHO-UHFFFAOYSA-N 347.448 1.185 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1C 44947890 XUARDYONOIXPAI-ZIAGYGMSSA-N 325.430 1.761 0 40 EDAB Cc1nc(C(=O)NC[C@@H]2CCN(C3CC3)C2)nn1-c1ccc(F)cc1 44934301 HBQBVQPFGVOPEP-ZDUSSCGKSA-N 343.406 1.929 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CCO1 44968791 XKYVRWQVTCYXOF-JTQLQIEISA-N 333.310 1.953 0 40 EDAB Cc1nc(CN2CCN(C(=O)N[C@H](C)[C@H]3CCCO3)CC2)cs1 44970914 QXQZXGKUDNABQC-IUODEOHRSA-N 338.477 1.846 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)CCNC(=O)c1ccc(Cl)cc1 44917227 IMEKILVETZGXCA-GFCCVEGCSA-N 334.807 1.861 0 40 EDAB CCN(C[C@H](C)C(=O)OC)C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 58393218 WOZRVYIVNDYCMB-NHYWBVRUSA-N 336.363 1.976 0 40 EDAB O=C(Cn1nnn(-c2cccs2)c1=O)N1CCc2ccccc2C1 10812136 VWYMIRQBBMORKX-UHFFFAOYSA-N 341.396 1.075 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)NCCc1nc2ccccc2[nH]1 28483859 BKZDUHWDGUISSC-UHFFFAOYSA-N 347.378 1.632 0 40 EDAB CCCn1c(CN2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C 2334765 NOGCEGUQZGEWPO-GFCCVEGCSA-N 333.436 1.218 0 40 EDAB CCC[C@@](C)(NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)O 97757759 VTQMJSWZOJUKLF-CYBMUJFWSA-N 349.430 1.012 0 40 EDAB O=C(NC1CCN(C2CC2)CC1)c1ccc(Cn2ccccc2=O)o1 29094781 SPUGJJGNZUNJCZ-UHFFFAOYSA-N 341.411 1.846 0 40 EDAB CC(C)N1C[C@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1=O 45838753 ZTUNAKJCLKUVML-MRVPVSSYSA-N 331.294 1.589 0 40 EDAB O=C1CSc2ccc(C(=O)NCCCN3CCCC3=O)cc2N1 12884922 NONGNRBRCXGSSD-UHFFFAOYSA-N 333.413 1.473 0 40 EDAB Cc1csc(N2CCN(c3nnnn3-c3ccccc3)CC2)n1 29585746 FHYUBCBEZIHHKZ-UHFFFAOYSA-N 327.417 1.754 0 40 EDAB CCCCN(C(=O)CNc1ccc(S(N)(=O)=O)cc1)C1CC1 62639843 BJOHSXKHJLBJGE-UHFFFAOYSA-N 325.434 1.537 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCSc2ccc(F)cc21 12971458 PCPTWLMNUXDYMI-NSHDSACASA-N 335.360 1.029 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 8938512 LZOFCGWYIFPYMP-KSSFIOAISA-N 329.400 1.901 0 40 EDAB COC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)O)c2)c1 13348372 VTMIIQHZTHFKNO-UHFFFAOYSA-N 335.337 1.972 0 40 EDAB COc1cc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)c(C(=O)O)cc1OC 71280098 TVSWPPPVFDBABX-VXGBXAGGSA-N 337.328 1.697 0 40 EDAB NC(=O)[C@@H](NC(=O)COCCOc1ccccc1)c1ccccc1 49625084 ZIZCQGLMNTXTEG-KRWDZBQOSA-N 328.368 1.425 0 40 EDAB Cc1ccc(N2CC[C@H](C(=O)N3CC[C@]4(CCOC4)C3)C2=O)cc1 84150572 BPXIVNUUXZPQPE-APWZRJJASA-N 328.412 1.987 0 40 EDAB O=C(c1cc2ncc(CCO)cn2n1)N1CC[C@H]1c1ccc(F)cc1 71385505 NQBPBNMCTUUDOX-INIZCTEOSA-N 340.358 1.990 0 40 EDAB CC(C)c1nc2oc3c(=O)n(CC(N)=O)cnc3c2c2c1CCC2 13730819 OZKCQZPQKLUGKR-UHFFFAOYSA-N 326.356 1.635 0 40 EDAB COc1ncc(NC2CCN(CC(F)(F)F)CC2)cc1C(N)=O 97081599 FZTUQPNIHNPNAW-UHFFFAOYSA-N 332.326 1.628 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccc(O)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387399 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Cn1ccnc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1 65610544 SOMYOOUNCDETEX-UHFFFAOYSA-N 326.326 1.551 0 40 EDAB Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1CCO[C@H](C)C1 72293181 IXJYWPCGDBRFTM-CQSZACIVSA-N 347.415 1.720 0 40 EDAB O=S(=O)(Oc1ccnc2cc(Cl)ccc12)N1CCOCC1 4666969 QGKQNVASBKFZCF-UHFFFAOYSA-N 328.777 1.844 0 40 EDAB COCCCNS(=O)(=O)c1cc(Br)ccc1OC 6667900 RERJHQNUWVTCIY-UHFFFAOYSA-N 338.223 1.773 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 4778277 PDZOOIAAGGKPSN-RYUDHWBXSA-N 328.434 1.585 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc(NC2CC2)c(C(=O)O)c1 217640835 JEKHLJMJGBIVHR-UHFFFAOYSA-N 342.417 1.664 0 40 EDAB COc1cccc(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 9376997 USAOLDDVNHJBMR-GFCCVEGCSA-N 348.424 1.763 0 40 EDAB C[C@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@H](C)O1 66891456 ILKJPYOAQKOYTK-GJZGRUSLSA-N 347.463 1.152 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3COc4ccccc4O3)C2)no1 72232014 AVJHRFFPYSVHIS-IUODEOHRSA-N 329.356 1.924 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 67139327 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0 40 EDAB CCN1C[C@@H](C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1=O 69392835 AFJQUAWAGOTILC-CABCVRRESA-N 349.500 1.945 0 40 EDAB COc1cc(C(=O)Nc2ccc(SC)nc2)ccc1OCC(N)=O 69351587 IKTHDCSGEBPUNU-UHFFFAOYSA-N 347.396 1.929 0 40 EDAB COC(=O)Nc1cccc(C(=O)NCC(=O)NCc2ccccc2)c1 69381008 GNIKZIQJVNIPQU-UHFFFAOYSA-N 341.367 1.911 0 40 EDAB O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2cn[nH]n2)c1 71847534 XAMDNBSLHLXAFS-UHFFFAOYSA-N 337.343 1.774 0 40 EDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1nc2nccc(C)n2n1 71870459 WWPZCNSZAKZHJA-KGLIPLIRSA-N 328.420 1.522 0 40 EDAB Cc1cnn(CCC(=O)N2CCN(Cc3c(C)noc3C)CC2)c1 71819854 HJQGDPVKFYYMPH-UHFFFAOYSA-N 331.420 1.531 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)no1 71891008 DYGWEKOLDVUEPD-QGZVFWFLSA-N 327.384 1.631 0 40 EDAB CN(CC(=O)NCC1(c2ccc(Cl)cc2)CCC1)S(C)(=O)=O 69484056 OEATZUYRURQPCK-UHFFFAOYSA-N 344.864 1.769 0 40 EDAB C[C@H]1CN(c2nccc(C(F)(F)F)n2)CCN1Cc1nccn1C 69451740 QOOXMEAUUWNUBZ-NSHDSACASA-N 340.353 1.940 0 40 EDAB O=C(CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)NCC1CC1 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344.440 1.984 0 40 EDAB COC1CCC(N(C)C(=O)CCn2nnc3ccccc3c2=O)CC1 71908560 LTFMTHRLZZFZIF-UHFFFAOYSA-N 344.415 1.598 0 40 EDAB COC(=O)c1sc2cccc(F)c2c1CNC(=O)Cn1cncn1 69844342 PDUQZYNIFVDDCV-UHFFFAOYSA-N 348.359 1.735 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H](Cn2c(-c3ncccn3)noc2=O)C1 71916391 NYEFRRZNXYEAPW-LLVKDONJSA-N 347.375 1.550 0 40 EDAB Cc1cc2nc(NCC3(C(N)=O)CCOCC3)c3ccccc3n2n1 71905760 JMNUZDLJAKVRTD-UHFFFAOYSA-N 339.399 1.885 0 40 EDAB CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(C[C@@H](C)O)CC1 69975492 HHJRSJFOKWPUMA-SJLPKXTDSA-N 333.476 1.595 0 40 EDAB CN1C(=O)C[C@H](C(=O)NNc2ncccn2)[C@H]1c1cccc(Cl)c1 71908812 CTNFWHGDHAPTNO-GXTWGEPZSA-N 345.790 1.793 0 40 EDAB NC(=O)[C@@H]1CCCN1CC(=O)Nc1ccc(N2CCCCCC2)cc1 8746881 BCCPSEZWCZCSCX-KRWDZBQOSA-N 344.459 1.955 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)C[C@H]1C(=O)Nc3ccccc31)CC2 97198090 YGCPCEBXLVNPCP-WCQYABFASA-N 339.399 1.398 0 40 EDAB CCc1cc(CNC(=O)c2cc(=O)n(-c3ccc(C)cc3)[nH]2)on1 73935564 YIHJGOWBXXGBMD-UHFFFAOYSA-N 326.356 1.954 0 40 EDAB O=C1CC[C@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)N1 95978431 UDIYVRBHDZDUDW-NOZJJQNGSA-N 325.771 1.453 0 40 EDAB CCCn1c(NC(=O)c2ccc(S(N)(=O)=O)o2)nc2ccccc21 75126994 QHZPZYIRDUPZLA-UHFFFAOYSA-N 348.384 1.939 0 40 EDAB O=c1oc(-c2cccs2)nn1CN1CCN(c2cnccn2)CC1 89800303 MTFMKQXZUWIZJT-UHFFFAOYSA-N 344.400 1.135 0 40 EDAB CN(C(=O)c1cncc(Br)c1)[C@@H]1CCS(=O)(=O)C1 42220525 PEJZTELCVRIVTN-SNVBAGLBSA-N 333.207 1.103 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCN(C(C)(C)C)C2=O)ccc1-n1cncn1 514940498 QBUFBSHQWJMBAJ-AWEZNQCLSA-N 341.415 1.705 0 40 EDAB CN1CC[C@@H](COCC2CC2)CC12CN(C(=O)Cc1ccccn1)C2 306124567 BTQMNKTZNOZLKR-QGZVFWFLSA-N 343.471 1.974 0 40 EDAB Cc1nn2cccnc2c1C(=O)NCC[S@](=O)Cc1ccccc1 78913170 VUCMRALVWIKCLC-XMMPIXPASA-N 342.424 1.716 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)NCC[C@H](O)c1ccco1 72242643 GIVINRKPONDLEC-LBPRGKRZSA-N 325.386 1.999 0 40 EDAB CCN1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1=O 78608980 YCNVLJLEWQTDAU-DGCLKSJQSA-N 337.370 1.528 0 40 EDAB COCCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 78984455 DICZIDXDHBDHNP-LLVKDONJSA-N 342.237 1.973 0 40 EDAB O=C(CN(Cc1cccnc1)C[C@@H]1CCCO1)NCc1ccccn1 79099728 PWLKGIKDTBYICN-SFHVURJKSA-N 340.427 1.774 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 78076984 GPRMDLWCTPWULE-GFCCVEGCSA-N 344.333 1.983 0 40 EDAB CCN(C)C[C@@H](O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 568882191 WGVBJMHHEZAGOR-BZNIZROVSA-N 337.445 1.144 0 40 EDAB C[C@@](O)(CNC(=O)c1ccc(Cl)cc1Cl)CN1CCOCC1 80928211 PYDVSXXSVYOOEB-OAHLLOKOSA-N 347.242 1.806 0 40 EDAB O=C(CN1C(=O)CCC1=O)OC1CN(c2nc3ccccc3s2)C1 75166598 FKIRKGYAWTUZEM-UHFFFAOYSA-N 345.380 1.177 0 40 EDAB C[C@@H]1c2nncn2CCN1C(=O)c1cn(Cc2cccs2)nn1 571137911 JQMZAEQGVMVVMY-SNVBAGLBSA-N 329.389 1.196 0 40 EDAB CCOc1ccccc1C(=O)N1CC(S(=O)(=O)c2nccn2C)C1 225677520 BLAPYWPBZOWDOF-UHFFFAOYSA-N 349.412 1.117 0 40 EDAB Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1OCCc3ccccc31)CC2 576707922 AMSZZSISPCPJRN-XHDPSFHLSA-N 329.425 2.013 0 40 EDAB O=C(N[C@H]1CN(Cc2ccncc2)[C@H]2CCCO[C@@H]12)c1cnccn1 96056365 APUTUHHUOSIVHB-ULQDDVLXSA-N 339.399 1.033 0 40 EDAB COC[C@H]1C(=O)N(CC2CC2)CC12CCN(Cc1cnn(C)c1)CC2 96205949 KEJJXBPHSSAULD-KRWDZBQOSA-N 346.475 1.517 0 40 EDAB CC(C)CN1CC2(CN(Cc3ccccc3)C[C@@H]3C[C@@H](O)CN32)C1 514289143 IPWCQPOQFDGYEH-RBUKOAKNSA-N 329.488 1.648 0 40 EDAB biogenic,in-vitro CC(C)[S@@](=O)c1ccc(C(=O)N2CCO[C@H](C(=O)O)C2)cc1 584908050 HSFQFBXIPLVJJK-WHEQGISXSA-N 325.386 1.128 0 40 EDAB CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCC(=O)NCC2CC2)nn1 583621404 FEZPAMHMXSZWBC-UONOGXRCSA-N 335.452 1.105 0 40 EDAB CC(=O)c1c(F)cccc1N1CCN(c2ncccc2C(N)=O)CC1 96453641 ALAKKNDWLOFDIL-UHFFFAOYSA-N 342.374 1.849 0 40 EDAB O=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@H]1CC1(F)F 1592989117 YIVWCAIDPARJOT-LLVKDONJSA-N 349.345 1.002 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CN(CCO)c1ccccc12 96078835 XFNSYQONXQISMS-UHFFFAOYSA-N 326.444 1.766 0 40 EDAB CN(C)C(=O)[C@@]12CCO[C@@H]1CCN(CCOCc1ccccc1)C2 96064830 JKLDROIMWPDKLT-IEBWSBKVSA-N 332.444 1.772 0 40 EDAB CCS(=O)(=O)N(C)C1CCN([C@@H](C(=O)O)c2ccccc2)CC1 584415859 AASLWSDYHWGIIE-OAHLLOKOSA-N 340.445 1.558 0 40 EDAB CN1CCC(Cn2c3c(ccc2=O)C[C@@H](N[C@H]2CCOC2)CC3)CC1 96189774 YBUAQOZLFRNWJO-ROUUACIJSA-N 345.487 1.426 0 40 EDAB CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1O 257251886 JSSFGPFHVYYYBG-IAGOWNOFSA-N 346.406 1.116 0 40 EDAB CC1(C)NC(=O)N(CC(=O)N2CCC[C@H](Cc3cccnc3)C2)C1=O 257199929 ABHSKNRTMMGOAP-CQSZACIVSA-N 344.415 1.193 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1occc1C)C2 253479137 OVUMKEUCSNVKRO-LBPRGKRZSA-N 327.402 1.254 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)n1 257242695 IDSKPQSDCFQSBD-AWEZNQCLSA-N 330.392 1.065 0 40 EDAB COc1coc(C(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1=O 253395764 QWXODUNJXAWKIC-JSGCOSHPSA-N 332.400 1.737 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1c1ccccc1 257260305 LCGLXMMABJWCIK-QGZVFWFLSA-N 339.395 1.431 0 40 EDAB CNc1cc(CC[C@H]2CN(CC3(O)CCOCC3)CCO2)ccn1 257322393 WFUBPJJASGJLGG-INIZCTEOSA-N 335.448 1.298 0 40 EDAB O=C(N1CC[C@@](O)(CN2CCOCC2)C1)C1(c2ccccc2F)CC1 257306634 SVCLYMFIBKOAGD-GOSISDBHSA-N 348.418 1.153 0 40 EDAB COCC(=O)N1CCC(Cc2cnc(N3C(=O)OC[C@@H]3C)cn2)CC1 257335773 YLUMCTOXQBAFDW-LBPRGKRZSA-N 348.403 1.249 0 40 EDAB Cc1ccc(NC(=O)N2CCC[C@@H](C(N)=O)C2)cc1S(C)(=O)=O 252487948 IFNCICUUEIBGEF-LLVKDONJSA-N 339.417 1.128 0 40 EDAB CN(Cc1cn(-c2ccccc2C(=O)O)cn1)C(=O)c1ccnn1C 257239920 HRJHMLFTXCCYSP-UHFFFAOYSA-N 339.355 1.576 0 40 EDAB COCC(=O)N1CCC[C@](CCCc2cnccn2)(C(=O)N(C)C)C1 257320321 VWGGKAHYQJSPMN-SFHVURJKSA-N 348.447 1.143 0 40 EDAB CCn1nccc1C(=O)NCCn1c(C)nc2sccc2c1=O 253472662 OEDBJAARZXTYAG-UHFFFAOYSA-N 331.401 1.413 0 40 EDAB Cc1cc(-c2nccn2C)nc(CC2CCN(S(C)(=O)=O)CC2)n1 257247789 JAMZZZNCPNZLSG-UHFFFAOYSA-N 349.460 1.400 0 40 EDAB Cc1nc(N(C)[C@@H](CCO)c2ccccc2)sc1S(N)(=O)=O 253392734 FUCVXCYZJVXNHA-LBPRGKRZSA-N 341.458 1.659 0 40 EDAB CCc1cccnc1C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 271004017 GPKYJMPHYNYGNX-UHFFFAOYSA-N 340.383 1.343 0 40 EDAB CCCNC(=O)CN1CCN(Cc2ccn(CC(F)(F)F)n2)CC1 1615044307 UNJFCEYQUDJBPT-UHFFFAOYSA-N 347.385 1.089 0 40 EDAB CC(C)CC(=O)N1CCN(CC[C@H](C(F)F)N2CCOCC2)CC1 1615587564 HPVSGDZBPXQNEU-OAHLLOKOSA-N 347.450 1.533 0 40 EDAB CO[C@@H](C)CS(=O)(=O)Nc1cc(C(=O)O)c(F)c(F)c1F 1616039919 ZKBPVAOVIKDCDW-YFKPBYRVSA-N 327.280 1.579 0 40 EDAB CCn1cc(CN2CCCN(C(=O)c3ccncc3F)CC2)cn1 607340353 RZQBNTUHVANQML-UHFFFAOYSA-N 331.395 1.785 0 40 EDAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390829951 HQTKMTQODBIOFG-CQSZACIVSA-N 340.362 1.201 0 40 EDAB CC(C)c1nccn1CC1CCN(C(=O)CN2C(=O)CCC2=O)CC1 62130064 ULEDRRCGJLIPCL-UHFFFAOYSA-N 346.431 1.394 0 40 EDAB CN(C)CCC(=O)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 575403951 JFDGCGFGGASQHO-HNNXBMFYSA-N 342.505 1.468 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccsc3)[C@H]2C1 575405772 TYFWDKBQZWANMJ-VNUKXSOBSA-N 334.441 1.607 0 40 EDAB C[C@@]1(CNC(=O)[C@@H]2CC(C(=O)O)=NN2c2ccccc2)CCOC1 585134441 TUELLSHMDRXAKG-YOEHRIQHSA-N 331.372 1.249 0 40 EDAB COCCNC(=O)Cc1cn2c(n1)[C@H](C)N(C(=O)CC(C)C)CC2 585096361 JZEVLXYMDDLHJS-ZDUSSCGKSA-N 336.436 1.138 0 40 EDAB CC(=O)N1CCC(N2CCO[C@](CO)(Cc3ccccc3C)C2)CC1 585278791 VHCIYYLJHFAUIP-HXUWFJFHSA-N 346.471 1.612 0 40 EDAB Cc1cccc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CN2CCCC2)n1 585094818 NURBIRGWDZCJJM-OAHLLOKOSA-N 339.443 1.786 0 40 EDAB O=C(Cc1ccccc1)N1CC[C@](O)(CN2CCCCC2)[C@@H](O)C1 585285128 OEADPNNMHISGQY-HKUYNNGSSA-N 332.444 1.039 0 40 EDAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2cccnc2NC)C1 585278482 TUCXLBRULXQWMD-QGZVFWFLSA-N 334.420 1.271 0 40 EDAB CC(=O)N[C@H]1CCCN(CC(=O)N2CCCC2)[C@H]1Cc1ccccc1 585268974 GFHKLMNOOCHJDT-OALUTQOASA-N 343.471 1.821 0 40 EDAB O=C(CN1CCCCCCC1=O)N[C@H](C(=O)O)c1ccccc1F 678986303 FDPUJVXRFLEOQH-INIZCTEOSA-N 336.363 1.860 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](c2ccccc2)CC1 66762389 XCYOZRQZEIUVSB-INIZCTEOSA-N 331.416 1.035 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNC(=O)N(C)CCN1CCOCC1 66149372 NZOAPFMVECOUIW-JKSUJKDBSA-N 327.469 1.555 0 40 EDAB Cc1noc(C)c1COC(=O)CCn1nnc2ccccc2c1=O 31640320 HPWOXRTXBWSPKP-UHFFFAOYSA-N 328.328 1.530 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)n2C)CC1 71871450 WAZRHVHHWRYLCW-AWEZNQCLSA-N 345.418 1.970 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 71847054 QFAZYAQXMACCAF-ZIAGYGMSSA-N 349.435 1.841 0 40 EDAB COc1cccc(CNC(=O)[C@H](C)S(=O)(=O)c2ccccn2)c1 47620133 ITLIYBQCAOLOMM-LBPRGKRZSA-N 334.397 1.569 0 40 EDAB NC(=O)[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CCO1 50857298 GBSQHUGMYXRJJQ-SNVBAGLBSA-N 337.426 1.127 0 40 EDAB C[C@H]1CCc2c(C(=O)N3CC[C@]4(C3)NC(=O)NC4=O)csc2C1 72290732 WZWIBGGOMYEXTG-XXFAHNHDSA-N 333.413 1.297 0 40 EDAB FC(F)(F)c1ccnc(Sc2nnnn2C[C@@H]2CCCO2)n1 58620748 MYROUFHUKOBQQQ-ZETCQYMHSA-N 332.311 1.812 0 40 EDAB Cc1ncnc(OCC2CCN(C(=O)c3cn(C)cn3)CC2)c1C 1565521824 BFNABZTWVKGFBS-UHFFFAOYSA-N 329.404 1.758 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)N1CC(OCC(F)F)C1 75092751 CXDIBYGWBJXGEV-UHFFFAOYSA-N 337.326 1.279 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)C[C@H]3OCCc4ccsc43)CCO2)n1 76044936 CXGOWKZUZZHCIB-CHWSQXEVSA-N 348.428 1.779 0 40 EDAB CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C2 97198303 ZVXYAKFDAYEIIN-NEPJUHHUSA-N 339.461 1.046 0 40 EDAB O=S(=O)(c1ccccc1Br)N1CC(n2nccn2)C1 888107002 IKFRXZHZVJAJGC-UHFFFAOYSA-N 343.206 1.286 0 40 EDAB CO[C@@H]1CCC[C@@H](NC(=O)COc2cc(C)nc3ccccc23)[C@H]1O 1615076560 PRXPMCAEMQXFBO-GPMSIDNRSA-N 344.411 1.967 0 40 EDAB CCn1c2ccccc2n2c(=O)n(CC(=O)NC3CCCC3)nc12 12117677 KZEGMJDDMFQZGS-UHFFFAOYSA-N 327.388 1.529 0 40 EDAB COc1cc(C(=O)NCC(C)C)c(N(C)S(C)(=O)=O)cc1OC 13582506 QMXGMWIWBVZMBT-UHFFFAOYSA-N 344.433 1.485 0 40 EDAB COC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 16576525 VFGUXFACAACGIJ-SNVBAGLBSA-N 334.825 1.112 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c2cccnc2O1 158656318 XXQVVXFFFKFJTA-CHWSQXEVSA-N 341.367 1.837 0 40 EDAB O=C(Cc1cccs1)N1CCN(C2CCS(=O)(=O)CC2)CC1 238830936 FWKZCORBQUJBNZ-UHFFFAOYSA-N 342.486 1.012 0 40 EDAB O=C(CN1CCOCC1)N[C@H](Cc1cccs1)c1nccs1 19343306 RCLZVHWDGOTDAG-CYBMUJFWSA-N 337.470 1.937 0 40 EDAB CC(C)c1ccc(OCC(=O)N2CC[C@@H](N3C(=O)CNC3=O)C2)cc1 575605257 IECRNSHWNVOCLH-CQSZACIVSA-N 345.399 1.342 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC(n2nnc3ccsc3c2=O)CC1 390830135 IZGAXNIGLXLGEA-SNVBAGLBSA-N 334.401 1.053 0 40 EDAB CNc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)s1 7076954 HSOICVWDJZKEDY-UHFFFAOYSA-N 338.414 1.717 0 40 EDAB O=C(c1nccc(C(F)(F)F)n1)N1CCN(C(=O)C2CC2)CC1 1888850436 QIILXOSREXODAP-UHFFFAOYSA-N 328.294 1.190 0 40 EDAB CC(C)N1C[C@@]2(COCC1=O)CN(Cc1ccc(F)cn1)CCO2 2037980984 PIWOSXQJXFGTNV-QGZVFWFLSA-N 337.395 1.059 0 40 EDAB COCCCN1CCC[C@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1 2056223636 XELUXQJJMNCHOJ-SFHVURJKSA-N 334.464 1.775 0 40 EDAB CCOc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 4941484 QJSBVFLNPZAMHQ-OAHLLOKOSA-N 348.399 1.826 0 40 EDAB Cc1ccc(CNC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 5350525 IZYSYZLKYJIKSG-INIZCTEOSA-N 346.427 1.803 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2ccccc2OC)C1 2055772847 MUFRRPQJHGQVJW-SFHVURJKSA-N 328.416 1.629 0 40 EDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)Cc2ccsc2)CC1 2055772196 HAJZVDPGWXVHQO-UHFFFAOYSA-N 346.456 1.593 0 40 EDAB COCC(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncc(F)cn3)C2)C1 2055806601 VCLLZHVXQRAMIT-AWEZNQCLSA-N 344.337 1.326 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCS[C@H](c2ccccc2)CC1 208045412 HTFQZKMCPAJXCC-HNNXBMFYSA-N 342.486 1.744 0 40 EDAB O=C(NCc1nc(C2CCOCC2)no1)c1ccc2c(c1)OCO2 575616516 JUIXQRGGRFKVPU-UHFFFAOYSA-N 331.328 1.622 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 575611051 UAIUXXZNWGDTFQ-LLVKDONJSA-N 348.380 1.307 0 40 EDAB Cc1cccc(OCC(=O)N2CCN([C@H]3CCOC3=O)CC2)c1C 30155932 WXNXUTYAZGKSIQ-HNNXBMFYSA-N 332.400 1.142 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCN(Cc2nnnn2C2CC2)CC1 30199152 RMAORMCNRWNKMK-UHFFFAOYSA-N 344.394 1.034 0 40 EDAB Cn1ccs/c1=N\C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 40140929 VTSIXVABCKMVCL-VLGSPTGOSA-N 346.387 1.832 0 40 EDAB CN(CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1cnccn1 30897702 REODHFQJXIXJRN-HNNXBMFYSA-N 330.363 1.652 0 40 EDAB O=C(COc1ccccc1C(F)(F)F)N[C@H]1CCS(=O)(=O)C1 40477442 DWGDDMLFWDXCDF-VIFPVBQESA-N 337.319 1.388 0 40 EDAB CCCCN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 40459020 UEBYHPFFZMBHBO-UHFFFAOYSA-N 326.466 1.254 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N[C@@H](C)c2ccc(F)cc2)on1 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330.432 1.683 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)C[C@@H](C)O1 4308965 FKWFUYZRQFVCJI-APNQJHFZSA-N 337.420 1.123 0 40 EDAB Cc1cccc(OCCC(=O)NC[C@@H](C)N2CCN(C)CC2)c1C 71867407 ADGPVDZVONRYTE-MRXNPFEDSA-N 333.476 1.824 0 40 EDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)Nc3cnn(C)c3)ccc21 57280304 JXTIRRGDGFGQIX-UHFFFAOYSA-N 348.428 1.865 0 40 EDAB Cc1ccccc1N(CC(=O)NCCCOC(C)C)S(C)(=O)=O 8571227 WLDFJGWELXWKNV-UHFFFAOYSA-N 342.461 1.692 0 40 EDAB CN(C1CCN(c2ccccn2)CC1)S(=O)(=O)N1CCCCC1 71803077 AECOFXUTNGRUNL-UHFFFAOYSA-N 338.477 1.713 0 40 EDAB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)NCc2ccc(OC)cc2)C1 105700344 QUOCCRGYMMEYKQ-GDBMZVCRSA-N 348.443 1.975 0 40 EDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc3c(c2)OCO3)s1 105739656 AVTBYKDXABCCIP-VXBLSONLSA-N 331.393 1.390 0 40 EDAB O=C(C[C@@H]1NC(=O)NC1=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 71840967 RZMPYHRVEWRXNT-JTQLQIEISA-N 342.182 1.697 0 40 EDAB CC(C)c1ncncc1C(=O)N1CCN(Cc2ccncc2)CC1 71800083 PDVRXNHIBRQNQO-UHFFFAOYSA-N 325.416 1.953 0 40 EDAB C[S@](=O)c1nncn1Cc1nc(Cc2cccc(Cl)c2)no1 71899895 SPCSSSUHJXXJEK-JOCHJYFZSA-N 337.792 1.691 0 40 EDAB COCCn1c(S[C@H](C)C(=O)NC(=O)NC2CC2)nc(C)c1C 55251011 ZOWQPSYHZGZJLX-LLVKDONJSA-N 340.449 1.615 0 40 EDAB Cn1cccc1C(=O)NCCNC(=O)[C@@H]1CCCc2ccccc21 24864088 CSJMNALQDOUZNI-MRXNPFEDSA-N 325.412 1.991 0 40 EDAB O=S(=O)(NCCn1ccnc1)c1cccc(OC(F)(F)F)c1 43582795 NQCHVNCXHFPXGG-UHFFFAOYSA-N 335.307 1.760 0 40 EDAB COc1cc(C)c(S(=O)(=O)N(CC(N)=O)CC(C)C)cc1C 56042618 FBPRTPPPHNDLBC-UHFFFAOYSA-N 328.434 1.444 0 40 EDAB C[C@H](SCCN1C(=O)NC(C)(C)C1=O)C(=O)NC1CCCCC1 56242169 GBAYISSIIKOFFD-NSHDSACASA-N 341.477 1.887 0 40 EDAB CCN1CCN(C(=O)[C@H](C)Sc2nc3nc(C)cc(C)n3n2)CC1 25784930 ZMUGWRAXISWTMQ-ZDUSSCGKSA-N 348.476 1.386 0 40 EDAB COc1ccc(C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)cc1 56452581 IOXSRTVIHBMENM-HUUCEWRRSA-N 334.372 1.525 0 40 EDAB CCCN(C(=S)N[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 107325739 MZNHBZVYHIIWDT-XUXIUFHCSA-N 330.519 1.949 0 40 EDAB Cn1nccc1CNC(=O)N1CCC(NC(=O)c2cccs2)CC1 56657815 QLSUSFGICXSGGA-UHFFFAOYSA-N 347.444 1.586 0 40 EDAB CCc1nc(CN2CCC[C@H](NCc3cccc(C(N)=O)c3)C2)no1 71882273 IGAUHNAFRMLCJK-HNNXBMFYSA-N 343.431 1.485 0 40 EDAB CCN(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C1CC1 44545502 ORGJRNGIDQANMZ-SFHVURJKSA-N 327.384 1.391 0 40 EDAB CNC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)OCCO3)c1 10026485 NBTOYVBPMVUDTH-UHFFFAOYSA-N 326.352 1.999 0 40 EDAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1ccc(-n2cncn2)cc1 58161741 YSRVALYCLDDNDL-VUCTXSBTSA-N 336.399 1.982 0 40 EDAB Cc1cc(C)c2cc(C(=O)O[C@@H](C)C(=O)N3CCNC3=O)[nH]c2c1 48287676 IPHYOGHMBSCXDO-NSHDSACASA-N 329.356 1.882 0 40 EDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCCn1ccnc1 44866458 RBJUOCOPSKFFMT-UHFFFAOYSA-N 325.372 1.259 0 40 EDAB CC(C)n1ncc2cc(C(=O)N[C@H](C(N)=O)c3ccccc3)cnc21 10269148 VCTSXVFONNIODS-HNNXBMFYSA-N 337.383 1.969 0 40 EDAB CNc1snc(C)c1C(=O)NCc1ccc(OCCOC)nc1 58278193 SQFHRBYWKDRWBP-UHFFFAOYSA-N 336.417 1.843 0 40 EDAB O=C(NCCNc1ncccn1)[C@@H]1CC(=O)N(c2ccccc2F)C1 44942932 LONLKPPNMQIJMN-GFCCVEGCSA-N 343.362 1.197 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)c1cccc(Nc2ncccn2)c1 44943356 QSABGZUVEYKGSG-CQSZACIVSA-N 341.415 1.671 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H](C)C2)cc1 44968308 XMRYEAMVNRXQQA-GFCCVEGCSA-N 325.434 1.536 0 40 EDAB Cc1cccc(NC(=O)C2CCN(Cc3nnnn3C3CC3)CC2)n1 44978053 GVESOSKLOTVZFJ-UHFFFAOYSA-N 341.419 1.562 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](C)Cn2cccn2)c1 36397757 AUKMKANSVQGJDR-LBPRGKRZSA-N 339.417 1.515 0 40 EDAB O=C(NCCCO)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 110714494 NRPMKRZHVSAJJP-FGTMMUONSA-N 331.460 1.969 0 40 EDAB CC(=O)Nc1nc2ccc(C(=O)N3CCC[C@@H]3C(N)=O)cc2s1 36585711 VJGPDCRNKOFCMC-LLVKDONJSA-N 332.385 1.345 0 40 EDAB Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)N1C[C@H](C)O[C@@H](C)C1 29505085 MFVAYYMIGZYGIZ-LNDOMPNFSA-N 345.378 1.755 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)Nc2ccccn2)c1C 48363922 ZRZBSDVUGJRZRM-UHFFFAOYSA-N 344.371 1.572 0 40 EDAB Cn1cnnc1SCC(=O)Nc1ccc(CN2CCOCC2)cc1 19278459 KNCMAKDIJCXYQD-UHFFFAOYSA-N 347.444 1.378 0 40 EDAB COC(=O)[C@@H](OC(=O)c1cccc(-n2cncn2)c1)c1cccnc1 83884366 KANYCCFJUXZMIV-HNNXBMFYSA-N 338.323 1.733 0 40 EDAB COCCCN1C(=O)NC(=O)[C@]2(Cc3cc(C)ccc3N(C)C2)C1=O 8972211 VNGIDWRMKVVVCV-GOSISDBHSA-N 345.399 1.089 0 40 EDAB C[C@@H](CNC(=O)Cn1c(=O)cnc2ccccc21)CC1(C)OCCO1 71916657 HQIRAVYIGMETQT-CYBMUJFWSA-N 345.399 1.302 0 40 EDAB COCC(=O)N(C)[C@H](C(=O)OC)c1ccc(Br)cc1 71914756 QULOSGMYNCSJLD-LBPRGKRZSA-N 330.178 1.768 0 40 EDAB CCCc1cc(N2CCN(c3nc(C)ns3)CC2)n2ncnc2n1 71922406 UAYGECMENABZCO-UHFFFAOYSA-N 344.448 1.563 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4184404 GRONKVZAUHQTIG-COPLHBTASA-N 346.305 1.813 0 40 EDAB CNC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1Cl 71287402 OFJOUIYQOWWNMM-UHFFFAOYSA-N 334.719 1.440 0 40 EDAB CC(C)N1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1 65424079 FVGXFSJINQXMCW-UHFFFAOYSA-N 329.404 1.617 0 40 EDAB COc1cc(/C=C/C(=O)NCC(=O)OC(C)C)cc2c1OCCO2 65490487 ZSUKAVQBYIKCET-SNAWJCMRSA-N 335.356 1.547 0 40 EDAB CCO[C@H](C)C(=O)N[C@H](CN1CCN(C)CC1)c1ccc(OC)cc1 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EDAB Cc1[nH]c2ccc(CNC(=O)CC[C@@H]3NC(=O)NC3=O)cc2c1C 68437711 FCDBWBXSRFSGNS-AWEZNQCLSA-N 328.372 1.389 0 40 EDAB CC(C)Oc1ncc(C(=O)N2CCN(C[C@H](C)O)CC2)cc1Cl 70020848 WOUNOSVMYXHMFX-LBPRGKRZSA-N 341.839 1.661 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(Cc2nc(N)c3ccccc3n2)CC1 69621840 NSANFWLCKCBQTP-MRXNPFEDSA-N 343.475 1.737 0 40 EDAB Cn1cc(CN2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)cn1 69652635 NWQVHUNVKRYNPA-JKSUJKDBSA-N 328.416 1.851 0 40 EDAB CC1(C)CN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CCS1(=O)=O 96462359 PPKAGYUKQWEWEU-KBPBESRZSA-N 325.405 1.965 0 40 EDAB CCc1cc(N2CCC(NC(=O)NCc3ccncc3)CC2)ncn1 96450126 WXJVNAOFAAGKBJ-UHFFFAOYSA-N 340.431 1.902 0 40 EDAB O=C(CSc1ncnc2nc[nH]c12)NC(=O)NC1CCCCC1 69739410 UCXHXQVVJLJFKU-UHFFFAOYSA-N 334.405 1.604 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)N3CCNC(=O)C3(C)C)cc2F)n1 69702472 YECMKEKGLJQMNS-UHFFFAOYSA-N 344.390 1.979 0 40 EDAB Cc1ccc(N2CCC[C@@H](NC(=O)Cn3ccccc3=O)C2=O)cc1 96426769 ARWZTXUODZABLA-MRXNPFEDSA-N 339.395 1.469 0 40 EDAB CC1(C)CN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CCS1(=O)=O 96462357 PPKAGYUKQWEWEU-KGLIPLIRSA-N 325.405 1.965 0 40 EDAB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CCOCC(F)(F)F 69874342 NFHSQLAEINDSKH-VIFPVBQESA-N 342.383 1.772 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N[C@H]2CCCN(Cc3noc(C)n3)C2)on1 69842484 FYYQEOXBDCRLIM-YPMHNXCESA-N 348.407 1.256 0 40 EDAB c1nc(N2CCN(c3ccc4nncn4n3)CC2)c2ccsc2n1 69846117 YSBDMKYHHMQOJR-UHFFFAOYSA-N 338.400 1.456 0 40 EDAB COc1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1-n1cnnn1 97081370 NVNKXVXAIHMMSS-KBPBESRZSA-N 327.388 1.933 0 40 EDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C[C@H](O)CN1CCOCC1 72253987 ATQPTZKPIVYMAB-ZIAGYGMSSA-N 342.871 1.212 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)[C@H](C)c1c(C)nn(C)c1C)C2 72279581 AXQQOBGJNPAREA-LLVKDONJSA-N 342.447 1.947 0 40 EDAB O=C(Nc1cccc(-n2cnnn2)c1)c1ncccc1OCC(F)F 84383435 ROKDWJJXKFJXBP-UHFFFAOYSA-N 346.297 1.954 0 40 EDAB Cn1cc(N2CCC[C@@H](NC[C@H]3CCCn4ccnc43)C2=O)cn1 84318626 MGJQWLZASHOUPZ-UKRRQHHQSA-N 328.420 1.279 0 40 EDAB O=C(NCCc1nccc(-c2ccccc2)n1)[C@H]1NCCc2[nH]cnc21 72427389 ZUKOZMISVTVHEV-SFHVURJKSA-N 348.410 1.412 0 40 EDAB CC[C@@H]1CN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CCN1C[C@@H](C)O 84736446 YCARMOMLKAYALA-QLFBSQMISA-N 344.459 1.761 0 40 EDAB COc1ccnc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)n1 95413933 CFNFOSKWKACSLW-JKSUJKDBSA-N 326.400 1.575 0 40 EDAB C[C@H](CC(=O)c1ccco1)NC(=O)Cn1c(=O)cnc2ccccc21 95413751 IWLODXUKHWBHET-GFCCVEGCSA-N 339.351 1.767 0 40 EDAB Cc1noc(C)c1CCCNC(=O)[C@H]1CC(=O)N(c2nccs2)C1 84804364 WXNKUAMHVGOKHS-LBPRGKRZSA-N 348.428 1.850 0 40 EDAB CC(C)C[C@@H](C)Oc1cc(CNC(=O)N2CCNC(=O)[C@H]2C)ccn1 111871703 HFAKRJRYFSANRQ-ZIAGYGMSSA-N 348.447 1.925 0 40 EDAB Cn1cc(Br)cc1C(=O)N1CC[C@](O)(C(F)(F)F)C1 98016155 IXZAGHZYDZWLRH-SNVBAGLBSA-N 341.127 1.927 0 40 EDAB Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[C@H](S(C)(=O)=O)C1)C2 95943060 ZPFHBBIOCPEVLJ-GOEBONIOSA-N 337.441 1.643 0 40 EDAB CC[C@H](C(=O)NCCOC)n1cccc(-c2nc(C3CC3)no2)c1=O 75166143 VEYLEWPMLJEJCD-CYBMUJFWSA-N 346.387 1.489 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)NCC2 89866521 RVXYWKXICIQEDN-UHFFFAOYSA-N 348.362 1.321 0 40 EDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC2(CC1)OCCO2 24995388 MSRHIMGEHQOXNK-UHFFFAOYSA-N 343.383 1.221 0 40 EDAB O=C(c1cc(F)cc(Cl)c1O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 556830051 CAUSAFZEJDMZFX-VXGBXAGGSA-N 347.795 1.976 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)cc1 33028695 AJOQJINLGGLKDG-STQMWFEESA-N 340.445 1.763 0 40 EDAB Cc1nn(C)c2c(=O)n(C)c(Nc3cnn(Cc4ccccc4)c3)nc12 32651583 WSGHJFPKGBMRMN-UHFFFAOYSA-N 349.398 1.964 0 40 EDAB O=C1[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccc(F)cc1 409305104 LVEYPUVVBVOFHI-KOFHJDLBSA-N 331.299 1.012 0 40 EDAB CO[C@H](CS(=O)(=O)N1CCCC[C@@H]1C(=O)O)c1ccc(F)cc1 530139510 JOVNGQPWHQBKRH-ZIAGYGMSSA-N 345.392 1.782 0 40 EDAB CC(C)[C@H](C(=O)NCCN1CCc2ccccc2C1)N1CCCC1=O 79330751 LQCSRQUXXGXBDM-LJQANCHMSA-N 343.471 1.808 0 40 EDAB CCOC(=O)C1=C(CN2C[C@H](C)O[C@H](C)C2)NC(=O)N[C@H]1CC 34870095 LDBDWMDKBYEMAL-TUAOUCFPSA-N 325.409 1.004 0 40 EDAB CNC(=O)[C@@H]1CCCN1Cc1ccc(OCc2nccn2C)cc1 79071292 YOVCMGQPDHRELF-INIZCTEOSA-N 328.416 1.710 0 40 EDAB c1csc(-c2nc(N3CCOCC3)nc(N3CCOCC3)[o+]2)c1 33376472 VHZNABJPDSXAGP-UHFFFAOYSA-N 335.409 1.752 0 40 EDAB O=C(Cc1noc2ccccc12)N1CCN(CCn2cccn2)CC1 62153595 SOXUGWWXTLMXHE-UHFFFAOYSA-N 339.399 1.411 0 40 EDAB CCOC(=O)CNC(=O)CN1CCC(COCc2ccccc2)CC1 70655721 IIEULTPVUFTXEJ-UHFFFAOYSA-N 348.443 1.595 0 40 EDAB NC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CC1 79047180 JXYKPQASZHLAPP-KBPBESRZSA-N 337.370 1.088 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](N[C@H](C(N)=O)c2ccc(F)cc2)C1 78923931 HGMIXWGCQZYMET-KBPBESRZSA-N 337.395 1.951 0 40 EDAB O=C(c1ccc(Br)o1)N1CCCN([C@H]2CCOC2)CC1 1565522122 RBWFFOHPVFZJIX-NSHDSACASA-N 343.221 1.979 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCN(c3nccs3)C(=O)C2)cc1 1565523678 UHAZAMUXKQQSRR-UHFFFAOYSA-N 345.380 1.419 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1nc2ncccn2n1 36618744 JSMLWAKJSOJBJB-UHFFFAOYSA-N 347.382 1.857 0 40 EDAB COc1ccc([C@]2(Cc3cccc(OC)c3)NC(N)=NC2=O)cc1 71974452 CWGJSEBJGFLLGW-SFHVURJKSA-N 325.368 1.586 0 40 EDAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC)cc2)c1C 72239078 LFZNLHKXRMDMFP-UHFFFAOYSA-N 336.417 1.680 0 40 EDAB COCCn1ccc(NC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)n1 78540149 XGJFWDFAHQNUPN-LLVKDONJSA-N 349.357 1.630 0 40 EDAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1N1CCN(C=O)CC1 72222634 SRDWOPSAVUHUOL-UHFFFAOYSA-N 334.420 1.693 0 40 EDAB O=C1c2ccccc2C(=O)N1CCCc1noc(C2CCNCC2)n1 218378530 MDDPJTMDTPDOCK-UHFFFAOYSA-N 340.383 1.765 0 40 EDAB Cn1cccc1[C@@H]1COCCN1CCn1cnc2ccsc2c1=O 131966630 FQKRVEFMDZHLCO-HNNXBMFYSA-N 344.440 1.870 0 40 EDAB O=C(O)CCC(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1 226753005 WPYDVGDGYCYRKK-UHFFFAOYSA-N 347.396 1.446 0 40 EDAB CNCC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 195543719 GHPUTHDEAWTYLK-MRVPVSSYSA-N 339.193 1.896 0 40 EDAB CN(C)C(=O)CCNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 223297794 IBAACDWGDMBIRH-MRXNPFEDSA-N 337.807 1.818 0 40 EDAB Cc1n[nH]c(-c2ccc(C(=O)NC[C@@H](C)CN3CCOCC3)cc2)n1 81432122 QVVBCUIZDDBDEU-CYBMUJFWSA-N 343.431 1.478 0 40 EDAB COc1ccc(NC(=O)CCC(=O)N2CCC(C(N)=O)CC2)cc1 199405539 BCKJTSUEMMQHGZ-UHFFFAOYSA-N 333.388 1.138 0 40 EDAB Cc1nc(C2CCN(C(=O)[C@@H]3NCCc4ccccc43)CC2)n[nH]1 195543371 IYTIPGYUHMHWCU-MRXNPFEDSA-N 325.416 1.706 0 40 EDAB C[C@H](c1nnnn1-c1ccccc1)N1CC[C@@H](CN2CCOCC2)C1 195530848 AXSPTXSINIBWFB-CVEARBPZSA-N 342.447 1.377 0 40 EDAB CCn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)c1ccnnc1)C2 96045558 AQQJRMDWFLEZNR-CQSZACIVSA-N 342.403 1.254 0 40 EDAB COc1cc(N2CCC3(CCOC[C@@H]3NC(=O)N(C)C)CC2)ncn1 96215558 DSIUOQCFBDHSJZ-ZDUSSCGKSA-N 349.435 1.132 0 40 EDAB O=C(N[C@@H]1CCO[C@]2(CCN(c3ncccn3)C2)C1)c1ccncc1 96207377 ZXAVNBZMVDSTRH-CRAIPNDOSA-N 339.399 1.430 0 40 EDAB Cc1nc(NCCc2ccccc2)cc(C(=O)N2CCOCC2)n1 96182752 WGZOFVXNGJKRML-UHFFFAOYSA-N 326.400 1.912 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@H]2c2ncnn2C)c2c1CCC2 333746021 WTWXSBBYUUDBFI-INIZCTEOSA-N 326.400 1.826 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(OC)c(F)c3)C[C@@H]2C1 96080811 QQWVLGORHUWYKR-OKILXGFUSA-N 342.436 1.548 0 40 EDAB CCO[C@H]1C[C@H](N(C)C(=O)Cc2ccc(-n3cnnn3)cc2)C1(C)C 96418934 XYTHYXYESWHZOR-HOTGVXAUSA-N 343.431 1.867 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@@H]2CN(Cc3ccco3)C[C@@H]2C1 96108066 JZRHIGOXJSAMIT-RHSMWYFYSA-N 329.400 1.591 0 40 EDAB CN1CCN(c2ncnc3c2CCN(Cc2ccoc2)CC3)CC1 96255670 QZJLEGRAXMPPCA-UHFFFAOYSA-N 327.432 1.422 0 40 EDAB COCC(=O)N1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 96065120 CCEPNUFHDZHHDB-SJLPKXTDSA-N 334.416 1.642 0 40 EDAB Cc1ncsc1CN1CC[C@H]2C[C@H](C(=O)NCC3CC3)O[C@H]2C1 96043153 DFFINLXUPLDUMK-ZNMIVQPWSA-N 335.473 1.957 0 40 EDAB c1csc(CN2CCOC[C@H]2c2nccc(N3CCOCC3)n2)c1 96218748 JMVLWKYLJLEFGW-HNNXBMFYSA-N 346.456 1.948 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@@H]2COc1ccccn1 247872557 RLBHJTVGFXPSER-CYBMUJFWSA-N 326.356 1.182 0 40 EDAB O=C(c1ccncn1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 247857471 LDSJVLVQTKQSFV-CQSZACIVSA-N 349.456 1.620 0 40 EDAB Cn1cccc1C(=O)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 248119828 JRFBWDFFYPAVIT-CQSZACIVSA-N 327.384 1.873 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cccnn3)CC2)C[C@@H](O)C1(C)C 257238456 HLBBJYNOHCTJEI-OAHLLOKOSA-N 346.431 1.091 0 40 EDAB Cc1ccc2nc(C(=O)N3CCO[C@H](c4nc(C)c[nH]4)C3)cn2c1 257333705 YCRLTWIXGJAJIX-AWEZNQCLSA-N 325.372 1.888 0 40 EDAB CN1CCN(c2ccc(C(=O)NCc3cncn3C)cc2F)CC1 585085148 LQYRLWUUHNCLCM-UHFFFAOYSA-N 331.395 1.241 0 40 EDAB O[C@@]1(CNCc2ccc(OCCF)cc2)CCN(c2ncccn2)C1 257220392 DKQJCMIASHBQCL-GOSISDBHSA-N 346.406 1.556 0 40 EDAB CO[C@H]1CCN(C(=O)CCN(C)Cc2ccccn2)C[C@@]12CCCO2 257283491 OYONIWIUJSMEIG-HKUYNNGSSA-N 347.459 1.700 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2ncoc2C)n1 257270091 MSSPJYABUOPCHQ-AWEZNQCLSA-N 329.360 1.386 0 40 EDAB COC(=O)CC1(NS(=O)(=O)CCO[C@@H]2CC2(F)F)CCCC1 585115577 IPLJGVBQXROHGX-SNVBAGLBSA-N 341.376 1.206 0 40 EDAB Cc1cnc([C@@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)cn1 257270380 MUAHNOVROGSSFP-KRWDZBQOSA-N 343.383 1.822 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)CN2CCOCC2)cc1 255189925 TTXQMYCJGJALKY-LBPRGKRZSA-N 326.418 1.139 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3nccn3C)[C@@H]3CCNC[C@H]23)cc1 257321532 WCBJBPBSZSBCIF-BRWVUGGUSA-N 340.427 1.646 0 40 EDAB COc1nc(OC)nc(N2CCC[C@@H](c3ccnc(N(C)C)c3)C2)n1 257345088 ZZXHVBDACCFQGN-CYBMUJFWSA-N 344.419 1.734 0 40 EDAB CCOC(CNC(=O)c1cnn2ccc(NC(C)=O)cc12)OCC 253395247 BSDARTGMMSWBLF-UHFFFAOYSA-N 334.376 1.422 0 40 EDAB COc1ncc(CN2CCO[C@H](c3cccc(N(C)C)n3)C2)cn1 257264119 LTAGUWXBYCZFIC-HNNXBMFYSA-N 329.404 1.520 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)ncn1 257320550 VXIILHXWXXQABW-MRXNPFEDSA-N 346.456 1.953 0 40 EDAB Cc1cc(-c2nccn2C)nc([C@@H]2CCN(C(=O)c3cncnc3)C2)n1 257227282 FOMULKQZFHCWIA-CYBMUJFWSA-N 349.398 1.605 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)nc(C)n1 257265081 LXGROIXODQTVAE-HNNXBMFYSA-N 330.392 1.065 0 40 EDAB O=C(CN1C(=O)CCC1=O)Nc1ccc(-c2cnc3n2CCC3)cc1 85471593 ADNYGPTWCGYIAI-UHFFFAOYSA-N 338.367 1.584 0 40 EDAB C[C@@](CNC(=O)[C@@H]1COc2ccccc2O1)(C(=O)O)c1ccccc1 263340173 XFOPPPHWRIUUSZ-LPHOPBHVSA-N 341.363 1.985 0 40 EDAB COCCNS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 352973483 MCMZGKVUKSOSQD-UHFFFAOYSA-N 327.406 1.239 0 40 EDAB CN1CCC(CCO)(NC(=O)c2ccnc(-c3ccccc3)n2)CC1 1615589328 BFHWTNHFCOFRMT-UHFFFAOYSA-N 340.427 1.720 0 40 EDAB O=C(O)Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cn1 647745120 RABJWBMBMQFJFQ-QWHCGFSZSA-N 343.339 1.481 0 40 EDAB CN(C)c1nc(CNC(=O)c2cccc(Cl)c2)nc(N(C)C)n1 575603444 GFJUZWBAQGSAOD-UHFFFAOYSA-N 334.811 1.587 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ncccc1O 585287741 DEOJLTDPTJHMAN-SCLBCKFNSA-N 347.415 1.466 0 40 EDAB O=C(c1n[nH]cc1Cl)N1CC[C@](O)(COc2cccc(F)c2)C1 585275619 DYEWBRBKKWDNRJ-OAHLLOKOSA-N 339.754 1.858 0 40 EDAB Cc1cnn(C[C@@H](C)NC[C@H](O)c2ccc(S(C)(=O)=O)cc2)c1 69600107 RARNAEQDZJHMAK-CJNGLKHVSA-N 337.445 1.307 0 40 EDAB COc1ccc(CN(C)C(=O)CCc2c(C)nc(C)[nH]c2=O)cc1 48265256 PFJQOQDVYTWBCX-UHFFFAOYSA-N 329.400 1.987 0 40 EDAB COc1ccc(C(=O)NCC(=O)N(Cc2nccn2C)C2CC2)cc1 54039097 IFCVLQLWSRKXSZ-UHFFFAOYSA-N 342.399 1.350 0 40 EDAB CCC[C@H]1c2ccccc2CCN1C(=O)c1nc(O)[nH]c(=O)c1N 95405600 ZFFSQTRUFRSOOA-LBPRGKRZSA-N 328.372 1.597 0 40 EDAB C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CCSCC1 95432793 XPFARAXUWMISRB-HNNXBMFYSA-N 347.484 1.408 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CC2 97199045 BPNSQSVMHXPRDR-ZIAGYGMSSA-N 339.399 1.071 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCC[C@@H](O)C3CC3)CC2=O)cc1C 77107822 QPQPYNAVSOFBRC-NVXWUHKLSA-N 330.428 1.934 0 40 EDAB CN(C)C(=O)c1ccc(CN2CCN(C3=NCC(C)(C)S3)CC2)[nH]1 92032098 YOJRQEPLYMLWMR-UHFFFAOYSA-N 349.504 1.716 0 40 EDAB CCc1ncc(S(=O)(=O)NCC(C)(C)N2CCOCC2)s1 547304873 CDVPTLVIHIXDHJ-UHFFFAOYSA-N 333.479 1.095 0 40 EDAB O=C1CN(C(=O)Cn2c(-c3cccs3)cc3cccnc32)CCN1 12148120 WMXRTJSNPAIJBO-UHFFFAOYSA-N 340.408 1.723 0 40 EDAB CCc1nnsc1C(=O)N1CC[C@@H](c2cc(O)nc(N(C)C)n2)C1 12406521 NAVLWSUBOHNGQW-SECBINFHSA-N 348.432 1.292 0 40 EDAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3nncs3)oc(C)c12 13009806 HYNFZCLWXJSZRE-UHFFFAOYSA-N 337.386 1.715 0 40 EDAB COc1ccc(S(=O)(=O)N(C)Cc2cn(C)nc2C)cc1OC 14249913 XAZTUGPASFGLMR-UHFFFAOYSA-N 339.417 1.566 0 40 EDAB CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cnc(CC)nc1 155406947 AVMJSHFSHXSRGZ-CYBMUJFWSA-N 340.449 1.572 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)ccc1F 239579102 DEOSSEGUKBGZSV-KCPJHIHWSA-N 329.393 1.749 0 40 EDAB Cc1ccc(-n2cnnc2)c(C(=O)N2CCN(C3CC3)C(=O)C2)c1 554578157 SWGZPJPZKZUWHD-UHFFFAOYSA-N 325.372 1.023 0 40 EDAB COc1ccc(F)cc1C(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O 5972333 LRVHIUJEENMYDM-UHFFFAOYSA-N 336.319 1.464 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(N)=O 7782948 BWFUVBOCAOTCFQ-JTQLQIEISA-N 325.217 1.782 0 40 EDAB Cn1ccc(CN2CCC[C@H](C(=O)N3CCSCC3)C2)cc1=O 1888849929 NILUGAQGVSLECO-HNNXBMFYSA-N 335.473 1.173 0 40 EDAB Cc1cn2nc(N3CCN(c4ncnc5c4ncn5C)CC3)ccc2n1 1888914153 ZXIWHLZVLCARBD-UHFFFAOYSA-N 349.402 1.041 0 40 EDAB CCS(=O)(=O)NCCNc1ncc(Cl)cc1Br 225593159 GKWBXMNKAIXDEN-UHFFFAOYSA-N 342.646 1.849 0 40 EDAB COc1ccc(C(=O)N2CCO[C@]3(CCCCN(C)C3=O)C2)cc1 2037985249 CTHDWRQLEUZVSB-GOSISDBHSA-N 332.400 1.549 0 40 EDAB CCCn1nccc1C(=O)N1CCO[C@]2(CCCCN(C)C2=O)C1 2037985422 JLSJFPRJUPJXRJ-QGZVFWFLSA-N 334.420 1.147 0 40 EDAB O=C(NCCc1ccccn1)[C@H]1CCO[C@H]2CCN(CC3CC3)C[C@@H]21 1565539543 GQWGRZLBFIUDSZ-OTWHNJEPSA-N 343.471 1.877 0 40 EDAB CCOc1nn(CC)cc1-c1nnc(SCC(=O)NC)n1CC 12422714 AVWVTIXCHCHUIU-UHFFFAOYSA-N 338.437 1.418 0 40 EDAB COc1ccccc1C1(CNC(=O)C(=O)NC2CC2)CCOCC1 16975786 YYZDJIIISCYFET-UHFFFAOYSA-N 332.400 1.138 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(Cc2cccnc2OC)C1 2055772614 FAAHOVJQCPAWKU-KRWDZBQOSA-N 329.404 1.024 0 40 EDAB CCc1cc(N2CCN(CCn3ccnn3)CC2)nc(SC)n1 2086860197 AFAPYZWEVXRVGW-UHFFFAOYSA-N 333.465 1.175 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCc1nccc(N2CCCC2)n1 211094179 BSNSZURZWDKILB-UHFFFAOYSA-N 339.399 1.123 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)c2cnc3ccccc3n2)CC1 43979821 BNSYWJVQZVINEO-UHFFFAOYSA-N 348.428 1.031 0 40 EDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)c2ccccc2F)CC1 575616650 VUFVGJMTGRFAAX-UHFFFAOYSA-N 343.424 1.074 0 40 EDAB Cc1cnn(-c2cccc(N3CCN(Cc4nc(C)no4)CC3)n2)c1 2298054298 IUEAGTHSIVPHNL-UHFFFAOYSA-N 339.403 1.589 0 40 EDAB NC(=O)CSc1nnc(N2CCN(c3ccccc3)CC2)s1 23140048 VFRXSRACLYXGGW-UHFFFAOYSA-N 335.458 1.442 0 40 EDAB Cn1cccc1[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 75155156 DXAYHUATWWRYOY-CYBMUJFWSA-N 339.754 1.606 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NCC[C@H](O)c1ccco1 77112309 TUUHKACMAZKEEU-ZDUSSCGKSA-N 332.356 1.144 0 40 EDAB COC(=O)c1ccccc1NCC(=O)NCc1ccc2c(c1)OCO2 40005735 HSTLLOUZWPRDGH-UHFFFAOYSA-N 342.351 1.930 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2ccc3c(c2)CCC(=O)N3)C[C@@H](C)O1 40489270 VKBLZGGMKZKBEP-CHWSQXEVSA-N 331.416 1.410 0 40 EDAB CC(C)n1ncc2cc(NC(=O)[C@H]3CCCN(C(N)=O)C3)cnc21 31496876 TYBJFDIDYZLSJK-NSHDSACASA-N 330.392 1.741 0 40 EDAB CCNC(=O)NC(=O)CN(CC(=O)OCC)Cc1ccc(F)cc1 50964644 MQIWPKSWYNNHDJ-UHFFFAOYSA-N 339.367 1.037 0 40 EDAB Cc1[nH]c(=O)sc1S(=O)(=O)N(C)CCOc1ccccc1F 32902724 CKEJNZMFTWTGFP-UHFFFAOYSA-N 346.405 1.583 0 40 EDAB CCn1c(SCC(N)=O)nc2nc3c(cc2c1=O)COC(C)(C)C3 489547 SYBAPHBREQROEO-UHFFFAOYSA-N 348.428 1.240 0 40 EDAB biogenic CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC(C)=O 809704 WRYILHLJEGIGGN-HNNXBMFYSA-N 348.355 1.812 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)Cn2nnc(COc3ccccc3)n2)C1 33183742 KNSWRTJAGQQLBW-ZIAGYGMSSA-N 329.404 1.947 0 40 EDAB Cn1c(=S)c2[nH]c(SCCN3CCCCC3)nc2n(C)c1=O 1638339 KRNRCKVBLPHZPG-UHFFFAOYSA-N 339.490 1.908 0 40 EDAB CCOC(=O)[C@]1(C(F)(F)F)CN1S(=O)(=O)c1ccc(C)cc1 77011067 DTYJPFWFBVNTIU-WHUIICBVSA-N 337.319 1.864 0 40 EDAB CCn1cnc(S(=O)(=O)N(C)c2ccc(Br)cn2)c1 78985402 FKHTUPPVKURCIP-UHFFFAOYSA-N 345.222 1.886 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 3904565 VUGBKCBFJIMAPO-OJXGSEEGSA-N 328.368 1.665 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 4884602 GBRAYANSGPYTCE-KHSSZTOVSA-N 348.374 1.413 0 40 EDAB NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 7770530 JMDJYWJOLSMUQF-HNNXBMFYSA-N 337.379 1.773 0 40 EDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCN(Cc2cccs2)CC1 71817210 OBVWSJNGRALEMM-ZDUSSCGKSA-N 333.457 1.403 0 40 EDAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2ccco2)N(C)C)C1 42476224 UWFAIOGCYZRTLJ-CABCVRRESA-N 335.448 1.893 0 40 EDAB Cn1c(NC(=O)Nc2cccc(C(F)(F)F)c2)cc(=O)n(C)c1=O 984077 BNAOXGAYSLALAQ-UHFFFAOYSA-N 342.277 1.747 0 40 EDAB Cc1ccc(C)c(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 8704284 AILRGXHEKIIGMV-UHFFFAOYSA-N 325.372 1.202 0 40 EDAB O=c1n(CN(C[C@@H]2CCCO2)C[C@H]2CCCO2)nc2ccccn12 54520425 NUCKVQMMTABWJT-GASCZTMLSA-N 332.404 1.114 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)Cc1n[nH]c2ccccc12 102746747 PKCKBHWSVFBLFX-BHWMQLMCSA-N 327.384 1.809 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3nccnc3N)CC2)c1 25223416 MOJSUIHXTIKVSK-UHFFFAOYSA-N 339.399 1.274 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CNc1ccc(C(=O)NC2CC2)cc1 12538992 BVKKDIZIDLAIDI-UHFFFAOYSA-N 332.404 1.615 0 40 EDAB Cc1csc(N2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)n1 55759371 ZTIBRPPOKYOTBD-CYBMUJFWSA-N 348.472 1.501 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2cccc(N(C)C)c2)c2ccccc2O1 12514726 HDQYSVWEKGNWPV-QGZVFWFLSA-N 339.395 1.906 0 40 EDAB Cc1nc(CN2CCC[C@H](NCc3cccc4c3OCO4)C2)no1 69871995 ZAZAKJAGJCZTJO-AWEZNQCLSA-N 330.388 1.861 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C[C@H]2C=CCC2)s1 26057213 IHUSXBYNPHXJEB-NSHDSACASA-N 328.459 1.971 0 40 EDAB Cc1csc(=O)n1CC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 18159222 VFLJNJUPSMHTGK-LBPRGKRZSA-N 343.412 1.676 0 40 EDAB C[C@@H](C(=O)NCC(F)(F)F)N(C)CC1CCN(C[C@@H](C)O)CC1 69922685 GGRQORKFGRDLBE-NEPJUHHUSA-N 339.402 1.078 0 40 EDAB COCCN1CCN(C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 69925522 MUFZHCFJQSZJBJ-GOSISDBHSA-N 336.476 1.616 0 40 EDAB CCOC(=O)NCC(=O)NCc1ccc(C(=O)N(CC)CC)cc1 58166840 QCLROAYWWYSZBA-UHFFFAOYSA-N 335.404 1.531 0 40 EDAB CC(=O)N1CCC(NC(=O)Nc2ccc(N3CCCC3)nc2)CC1 48086443 CCJIQILKRRSGKA-UHFFFAOYSA-N 331.420 1.814 0 40 EDAB C[C@H](CCc1ccccc1)CC(=O)N1CCC2(CC1)NC(=O)NC2=O 58223227 QHVOVZUZXKMYRI-CQSZACIVSA-N 343.427 1.846 0 40 EDAB O=C(NCCC(=O)N1CCOCC1)c1ccc(F)c(C(F)(F)F)c1 58293075 LEDKEVRWUMAEPP-UHFFFAOYSA-N 348.296 1.823 0 40 EDAB NC(=O)C1CCN(CC(=O)N(Cc2ccccc2F)C2CC2)CC1 71862815 PVOUENUSGKLTQP-UHFFFAOYSA-N 333.407 1.514 0 40 EDAB Cn1c(=O)[nH]c2cc(C(=O)N3CCCC[C@H]3Cn3cccn3)ccc21 71865347 SLFJMIJONNWRNU-AWEZNQCLSA-N 339.399 1.758 0 40 EDAB Cc1noc([C@@H](C)OC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)n1 102759563 WYLBSJRKGYPEBC-SSDOTTSWSA-N 346.368 1.832 0 40 EDAB CCc1noc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 71883330 ZPAKNJSTXRBCMW-NSHDSACASA-N 346.362 1.783 0 40 EDAB C[C@H](NC(=O)NC[C@]1(N2CCOCC2)CCSC1)[C@@H]1CCCO1 44955807 RRPFDJFEDAMKPO-OFQRWUPVSA-N 343.493 1.061 0 40 EDAB COc1cccc(C[C@H](C(=O)NC[C@@H]2CCCO2)n2nnnc2C)c1 44948775 DQYGBGQOLRHHOT-JKSUJKDBSA-N 345.403 1.069 0 40 EDAB CCn1cnnc1CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 44943793 TXNLQUWCQHLIDK-NSHDSACASA-N 347.806 1.621 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)C1CCN(c2ccc(Cl)nn2)CC1 48272959 KYKORIFJAKPIOT-UHFFFAOYSA-N 348.838 1.739 0 40 EDAB COCCCNC(=O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 58918790 BDABEAJBLCYXSA-OAHLLOKOSA-N 349.479 1.337 0 40 EDAB CNC(=O)NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1 11371335 XSYMYUVHUPXERP-UHFFFAOYSA-N 338.437 1.151 0 40 EDAB O=C1O[C@@H](C(=O)Nc2ccc(-n3cccn3)nc2)Cc2ccccc21 29197885 LEVZTZACFVGGFD-OAHLLOKOSA-N 334.335 1.988 0 40 EDAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 11566106 UYQDZWVPVSNKAT-UHFFFAOYSA-N 340.445 1.671 0 40 EDAB COC(=O)c1ccccc1-n1ncc(NC[C@H](C)O)c(Cl)c1=O 29247610 XRKLKAAJDZFGJO-VIFPVBQESA-N 337.763 1.465 0 40 EDAB COc1ccc(CC(=O)N(C)CC(=O)NCC(F)(F)F)cc1F 48320763 AADXWRBHYWONLP-UHFFFAOYSA-N 336.285 1.514 0 40 EDAB C[C@H](CNC(=O)N(C)Cc1ccc2c(c1)OCO2)N1CCOCC1 46264812 TULMPHJDSQRYMV-CYBMUJFWSA-N 335.404 1.277 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)c2ccccc2O1 12973103 AYOVRGKOTBHTBH-JKSUJKDBSA-N 340.335 1.106 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 8778441 KXMZLJJTWPNILS-HYSHOPAUSA-N 345.443 1.792 0 40 EDAB O=C(O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3 3863582 VMUKSCVICJMNHF-UHFFFAOYSA-N 331.324 1.251 0 40 EDAB biogenic O=C(COC(=O)c1ccc(O)cc1O)c1ccc2c(c1)OCCO2 5103945 LPDIIQMLSSXHNC-UHFFFAOYSA-N 330.292 1.909 0 40 EDAB COc1ccc(C)cc1C(=O)CN1C(=O)N[C@@]2(CCSC2)C1=O 71185598 RFIINAAMEZBPFB-MRXNPFEDSA-N 334.397 1.614 0 40 EDAB CCCCn1nnnc1CN[C@@](C)(COc1ccccc1)C(=O)OC 65554562 ZPBGQMOXLDEWFN-KRWDZBQOSA-N 347.419 1.574 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1 65610373 NRZVGKDIXPKPLA-UHFFFAOYSA-N 333.360 1.510 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)c1ccc(N2CCCC2)nc1 60373729 YZVBZFUVYVVYHB-UHFFFAOYSA-N 334.420 1.936 0 40 EDAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408611476 WIUKKECBHLKKBG-LBPRGKRZSA-N 328.434 1.587 0 40 EDAB NS(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1 9089698 IYMNCQBPPGHMKO-UHFFFAOYSA-N 334.382 1.591 0 40 EDAB CN(C)CCNC(=O)COCC(=O)Nc1cccc(C(F)(F)F)c1 9095071 HRSXJYCHAXSUIG-UHFFFAOYSA-N 347.337 1.338 0 40 EDAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1cc(F)ccc1C 6607087 OUAWTEDISBSMNC-LKFCYVNXSA-N 339.367 1.699 0 40 EDAB CCn1cc(NS(=O)(=O)c2cc(F)ccc2C(=O)OC)cn1 66580048 HOWQCUNYROVUKB-UHFFFAOYSA-N 327.337 1.630 0 40 EDAB COc1ccc2cc([C@@]3(C)NC(=O)N(CCC(N)=O)C3=O)ccc2c1 7196523 MRZVDYLHNPZUDN-GOSISDBHSA-N 341.367 1.491 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 409191805 NQZUBGGSFUZBTM-UHFFFAOYSA-N 334.397 1.290 0 40 EDAB Cc1noc2nc3c(c(C(=O)NCC[C@@H]4CN(C)CCO4)c12)CCC3 67821897 SPLBLZTVMGPXEC-GFCCVEGCSA-N 344.415 1.470 0 40 EDAB COc1ccccc1N1CCN(C(=O)COC(=O)c2ccoc2)CC1 16158848 GRXNRBVODDPQHI-UHFFFAOYSA-N 344.367 1.794 0 40 EDAB CN1CC[C@@H](Nc2cccc(CN(C)C(=O)C(F)(F)F)c2)C1=O 81152730 VPCQZNKXOABUKC-GFCCVEGCSA-N 329.322 1.850 0 40 EDAB C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1nc(Cc2ccccc2)no1 79097439 YURRAAXUXJEILL-STQMWFEESA-N 337.445 1.914 0 40 EDAB COCCN1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 71800048 RYKFVOGCZOOLIY-OAHLLOKOSA-N 343.265 1.747 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCc2nnc(N(C)C)cc2C1 70011328 FQFGDRRINMAXEX-LLVKDONJSA-N 342.447 1.581 0 40 EDAB CSc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1 8334994 MLKZCMAWTLEDSW-UHFFFAOYSA-N 329.428 1.672 0 40 EDAB Cc1cc(Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)on1 69515965 REJDFOBDIYMTIO-UHFFFAOYSA-N 337.357 1.190 0 40 EDAB CN1CCN(CCNC(=O)c2ccccc2Oc2cccnc2)CC1 69530023 ZTPTXPHSSHCGDJ-UHFFFAOYSA-N 340.427 1.851 0 40 EDAB COC(=O)[C@H](c1cc(F)ccc1F)N(C)C(=O)CCn1cncn1 69568328 IAQAISRBOYMCHT-AWEZNQCLSA-N 338.314 1.319 0 40 EDAB C[C@@H](NC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)NC(C)(C)C 69562521 CXLLBOYZXZTWJU-NXEZZACHSA-N 348.403 1.831 0 40 EDAB O=C(COc1ccccc1)N1CCN(C(=O)Cc2ccccn2)CC1 69532855 GVKCESKOLNNNHA-UHFFFAOYSA-N 339.395 1.374 0 40 EDAB CCc1nc2n(n1)C[C@H](NCC(=O)N1CCc3sccc3C1)CC2 69661120 WGTRTKKLQBXJJI-CYBMUJFWSA-N 345.472 1.391 0 40 EDAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CO)CO)cc1 218361345 NTXFOYAWWNFLOB-IRXDYDNUSA-N 332.421 1.906 0 40 EDAB Cc1nc(C2(NCCn3nc4ccccn4c3=O)CCCCC2)no1 71833193 XHQKZKDBRBXYGT-UHFFFAOYSA-N 342.403 1.637 0 40 EDAB Cc1n[nH]c(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1C 9686849 YPFWPCZYSVTYQA-UHFFFAOYSA-N 327.431 1.776 0 40 EDAB CN(CC(=O)NCc1cccnc1)C[C@@H]1OCCc2ccccc21 95395037 VBCUQFFFSFBKRV-SFHVURJKSA-N 325.412 1.944 0 40 EDAB C[C@@H](Cc1ccc(Br)cc1F)NC(=O)[C@@H]1CCC(=O)N1 95394160 AFKGYYKJVULYCM-UFBFGSQYSA-N 343.196 1.914 0 40 EDAB C[C@@H]1Oc2c(cccc2C(=O)N(C)CC(=O)NC(C)(C)C)NC1=O 84678262 OHOZNDMDHNBLLW-JTQLQIEISA-N 333.388 1.393 0 40 EDAB Cc1ccncc1NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 97049816 VAJXMRWEXNZGQK-UHFFFAOYSA-N 349.460 1.995 0 40 EDAB CC(C)(C(=O)NCCOC(N)=O)c1cccc(Br)c1 97046248 ZZNYSIDPCPQCTQ-UHFFFAOYSA-N 329.194 1.938 0 40 EDAB COc1cc(Cl)ccc1CNC(=O)N(C)CCN1CCOCC1 72271630 XWSMQPNBAXQODB-UHFFFAOYSA-N 341.839 1.822 0 40 EDAB Cc1ccccc1OCC(=O)N1CCN(C[C@@H](O)C(F)(F)F)CC1 97141606 UVJTXCYAEYYBKA-CQSZACIVSA-N 346.349 1.441 0 40 EDAB NC(=O)[C@@H]1CSCCN1C(=O)CSCCCc1ccccc1 95452012 DDIKLWUDAKSYGZ-AWEZNQCLSA-N 338.498 1.782 0 40 EDAB Cn1ccc(NC(=O)C[C@H]2N=C(O)N(CCc3ccccc3)C2=O)n1 95480438 HDCVXFKWIYEUMM-CYBMUJFWSA-N 341.371 1.116 0 40 EDAB Cc1c(C(=O)N2CCN(C(=O)N(C)C)CC2)cnn1CCC(C)C 95432588 KIVDOFCOJATAGW-UHFFFAOYSA-N 335.452 1.677 0 40 EDAB O=C(N[C@@H]1c2ncnn2CC[C@@]12CCN(C(=O)C1CC1)C2)C1CCC1 306141115 VLQNQVWIGWBSHD-RDTXWAMCSA-N 343.431 1.268 0 40 EDAB Cn1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)ccc1=O 95954190 FVKWGSWAQSYDOZ-KRWDZBQOSA-N 341.411 1.189 0 40 EDAB CCN(CC)C(=O)N1CCN(C(=O)c2ccc(C(=O)O)s2)CC1 95949121 LHLFBFPXSNEHHU-UHFFFAOYSA-N 339.417 1.666 0 40 EDAB CC(=O)NC[C@H]1CN(C(=O)c2cnc(C(C)(C)C)s2)CCO1 75140609 BEIDPOLADMQHFQ-NSHDSACASA-N 325.434 1.418 0 40 EDAB Cc1ccccc1CN1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1 22818096 DZWMIUPRFDAYQT-UHFFFAOYSA-N 346.475 1.737 0 40 EDAB C[C@H](NC(=O)NCCCN1CCC(C(N)=O)CC1)c1ccccn1 89909933 IKSZIDWUUIDJLC-ZDUSSCGKSA-N 333.436 1.029 0 40 EDAB CCc1nnc(NC(=O)CN2CC(=O)Oc3ccc(C)cc32)s1 31847002 CGXRGUYEKDAHRB-UHFFFAOYSA-N 332.385 1.773 0 40 EDAB CN1CCO[C@@H](CNC[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 69564877 COBDBPAQHWPDBO-KBPBESRZSA-N 334.338 1.539 0 40 EDAB C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cnn(C)c1Cc1ccccc1 548845089 URGZSTLWCRXJDP-SWLSCSKDSA-N 326.400 1.408 0 40 EDAB O=C(c1ccccn1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 75172223 UGIWXZILOWIFOC-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)[C@@H](C)n1c(O)nc2ccccc2c1=O)C(=O)O 6908027 HVAJXHGXQQGHGI-OPQQBVKSSA-N 347.371 1.279 0 40 EDAB biogenic Cc1cc(C(=O)NCCCS(N)(=O)=O)cc(C)c1OC(F)F 78661635 NZPUZDLIQOEQTJ-UHFFFAOYSA-N 336.360 1.313 0 40 EDAB CCNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217705220 BTNZOUAFIPLSIW-NSHDSACASA-N 328.390 1.274 0 40 EDAB C[C@H]1CN(C(=O)CN2CCN(c3ccccc3F)CC2)C[C@H](C)O1 72520155 JSWVRMATHACDBZ-GJZGRUSLSA-N 335.423 1.584 0 40 EDAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)CN)n1 72360889 UKGMNUZOMPDRBD-AWEZNQCLSA-N 326.404 1.854 0 40 EDAB COc1cc(C(=O)N2C(=N)O[C@H]3CSC[C@H]32)cc(OC)c1OC 72342805 DPFURUMPTKSVLS-SKDRFNHKSA-N 338.385 1.604 0 40 EDAB Cc1cc(C)n(-c2cncc(NCC(C)(C)N3CCOCC3)n2)n1 78979646 PMKVHTLNZJOKCA-UHFFFAOYSA-N 330.436 1.802 0 40 EDAB Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)nc(N(C)C)n1 72241197 DUELPHMVWZJWAY-UHFFFAOYSA-N 343.406 1.953 0 40 EDAB CCc1nnc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)s1 72238912 FDLXFKOQUGGKHC-UHFFFAOYSA-N 336.402 1.482 0 40 EDAB Cc1cc(F)cc2[nH]c(C(=O)N3CCC[C@@H](C(=O)NCCN)C3)cc12 566403638 JQFGCNOGQWIHPX-GFCCVEGCSA-N 346.406 1.543 0 40 EDAB CCc1nccn1-c1cccc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 72379186 BOZFSEWVCDOYKV-AWEZNQCLSA-N 349.460 1.773 0 40 EDAB COC(=O)[C@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 72265570 SEKVMCBJAZKBNR-LBPRGKRZSA-N 344.367 1.084 0 40 EDAB O=C1CNC(=O)N1CCCOc1nc(Cc2ccc(F)cc2)no1 79031650 MALNSWDCABRRIE-UHFFFAOYSA-N 334.307 1.120 0 40 EDAB CCOc1ccc(C)cc1S(=O)(=O)NC[C@](C)(O)CSC 75157307 IXEBWQHKKURPBH-AWEZNQCLSA-N 333.475 1.786 0 40 EDAB Cc1cnc2n(c1=O)C[C@H](C(=O)Nc1ccc3cn[nH]c3c1)CS2 85473773 GEVZWXYDIIWHCP-NSHDSACASA-N 341.396 1.789 0 40 EDAB O=C(NCc1ccco1)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223352425 OFIOBNYJWXUSTQ-CQSZACIVSA-N 342.351 1.816 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1OC 225581370 APUFKNHTFQHQGN-UHFFFAOYSA-N 339.369 1.896 0 40 EDAB O=C(COc1ccc(Cl)cc1)N1CC[C@H](N2C(=O)COC2=O)C1 225699844 QENYMCFDVUKQKF-NSHDSACASA-N 338.747 1.299 0 40 EDAB CN1CCN(CCNS(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 192927077 UOHJWZDVTNKWIY-UHFFFAOYSA-N 349.859 1.146 0 40 EDAB O=C(NC[C@@H]1CCCN(C(=O)CCc2cccs2)C1)[C@@H]1CCCN1 225481011 QKKZZMRXNOKQAA-HOCLYGCPSA-N 349.500 1.788 0 40 EDAB O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1cc2ccccc2[nH]1 225803290 RYJJYTKRKSPVMN-UHFFFAOYSA-N 335.323 1.836 0 40 EDAB CCc1nc(CN2CCC(CNC(=O)NC[C@@H](C)O)CC2)cs1 192444926 XDFZPLJZCAUFBL-GFCCVEGCSA-N 340.493 1.598 0 40 EDAB Cc1cnc(C(=O)N2CCC3(CC2)CCN(CC2CC2)C3=O)cn1 96157819 NANLIEKVVMLQQR-UHFFFAOYSA-N 328.416 1.650 0 40 EDAB Cc1nccc(N2CCN(C(=O)N[C@H](C)c3c(C)noc3C)CC2)n1 97376469 YTDRNWYTVYGAQJ-LLVKDONJSA-N 344.419 1.983 0 40 EDAB CC(C)[C@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 96455037 UIBZIIOLHHCSSS-YNEHKIRRSA-N 337.386 1.983 0 40 EDAB CC1=CCC[C@H](C)[C@@H]1CN1CCN(CC(=O)N2CCOCC2)CC1 97104778 SVXBUARNBBITGY-ZWKOTPCHSA-N 335.492 1.455 0 40 EDAB COc1ccc(C(=O)N2CCC[C@]3(CN(C(C)=O)CCO3)C2)cc1 96268759 CPPRZRBLZALBAP-SFHVURJKSA-N 332.400 1.549 0 40 EDAB Cc1nnc(C[C@H]2C[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]3O2)o1 96219413 KVLKYDSKYXHLBB-BFHYXJOUSA-N 333.413 1.841 0 40 EDAB O=C(c1ccco1)N1CCOC[C@H]1c1nccc(N2CCOCC2)n1 96215185 JTEUUYURGVFSCF-ZDUSSCGKSA-N 344.371 1.120 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 96115506 FSHAWAQWSNTJMX-XHDPSFHLSA-N 341.367 1.468 0 40 EDAB biogenic Cc1nn(C)c(C)c1CCNC(=O)N1CC[C@@H](Oc2cccnc2)C1 96474766 MQXBJODWGHCYPB-MRXNPFEDSA-N 343.431 1.837 0 40 EDAB O=C(c1ccncc1)N1CCCn2cnc(CN3CCCC3)c2C1 96259285 DQTXMRDNWWRVDN-UHFFFAOYSA-N 325.416 1.920 0 40 EDAB CO[C@@H]1C[C@@H](c2nncn2C)N(CC(=O)N2CCc3ccccc32)C1 581622811 BRLNNEWAUOZRBX-ZBFHGGJFSA-N 341.415 1.166 0 40 EDAB CC[C@H](OC)C(=O)N[C@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 584907872 WNIVNUIGNNQKGA-QFBILLFUSA-N 348.443 1.735 0 40 EDAB CO[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@H]1Cc1ccccc1 96200063 ODHJFJKSNNKUKM-LSDHHAIUSA-N 335.429 1.441 0 40 EDAB CCOC(=O)c1n[nH]c([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)n1 585115099 MLABVERTZPBUKA-SNVBAGLBSA-N 338.389 1.329 0 40 EDAB O=C(NCc1nccs1)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 585122326 XAJWZWHRYBWPIH-DGCLKSJQSA-N 346.330 1.570 0 40 EDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)CC1(OC)CCCC1)CC2 585115575 IPIIEHDCUVDBSX-ZDUSSCGKSA-N 345.461 1.551 0 40 EDAB CN(C)CC(=O)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 247998005 NBWJVEAPZIWHPO-HNNXBMFYSA-N 333.432 1.167 0 40 EDAB CCCn1cc(-c2cnc(C3CCN(S(C)(=O)=O)CC3)cn2)cn1 257238678 HMAWYCRBZVKUNA-UHFFFAOYSA-N 349.460 1.889 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)Cc3cccnc3)CCO2)ncn1 257237926 HIVMHZWUKBKPPM-KRWDZBQOSA-N 326.400 1.583 0 40 EDAB O=C(CCn1ccnc1)N1C[C@@H]2[C@@H](CC[C@H]2Nc2cnccn2)C1 257249359 JHXAFZKGKMEYKB-RRFJBIMHSA-N 326.404 1.412 0 40 EDAB COC[C@H](NC(=O)NC[C@H](O)c1cc(C)cc(C)c1)[C@@H]1CCCO1 252507546 WOHBJUCZNVDBCD-ULQDDVLXSA-N 336.432 1.830 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](n2nccn2)C1 253472267 LDAHILTZDCMBGR-LBPRGKRZSA-N 326.809 1.876 0 40 EDAB O=C(N[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H]1O)c1cc[nH]n1 257257475 KPSSXPWEUMPHLO-HUUCEWRRSA-N 342.424 1.600 0 40 EDAB O=C(c1ncccn1)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 253615419 DLXYJCVHMXEMKL-CQSZACIVSA-N 342.424 1.789 0 40 EDAB CCc1noc(C)c1C(=O)N1CCOC[C@@H]1CCc1cnccn1 257304321 SLBFKEWDQONBEF-AWEZNQCLSA-N 330.388 1.809 0 40 EDAB COCC(=O)N1CCC2(CC1)C[C@H](Cc1ccccc1)N(C)C2=O 257226751 FLYQACRHLLFLOX-INIZCTEOSA-N 330.428 1.715 0 40 EDAB CCCn1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)n1 257243315 IGJCPFNAPRJOGA-SFHVURJKSA-N 343.431 1.402 0 40 EDAB O=C(Cc1cccnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257256608 KMFGIFIMYWWEDR-INIZCTEOSA-N 339.386 1.319 0 40 EDAB Cc1cc(C(=O)N2CCC(c3cc(O)n4nccc4n3)CC2)no1 257316798 VHAOFGAYQLBNDY-UHFFFAOYSA-N 327.344 1.751 0 40 EDAB CCc1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)no1 257286712 PMSBINOARIOJCW-OAHLLOKOSA-N 343.374 1.545 0 40 EDAB Cn1ncc(NS(=O)(=O)c2ccc3c(c2)CCCO3)c1C(=O)O 539191697 YPTZEIWUMDWDQI-UHFFFAOYSA-N 337.357 1.244 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(C(=O)COCc3ccnn3C)C2)n1 284294396 JAVUFTSAZFIFJE-OAHLLOKOSA-N 346.435 1.084 0 40 EDAB COc1ncc(NC(=O)Nc2ccc3c(c2)OCO3)c(N(C)C)n1 96121378 AQQGRVRUQZLGDA-UHFFFAOYSA-N 331.332 1.924 0 40 EDAB C[C@@]1(C(=O)Nc2ccc(-n3ccc(O)n3)c(F)c2)CCNC(=O)C1 1615545674 CNXRNKWTSOZCDY-MRXNPFEDSA-N 332.335 1.572 0 40 EDAB COc1ccc(-c2noc(C[C@@H](O)COCc3ccccc3)n2)nn1 1615587471 MSGDCSNDHUXDSJ-CYBMUJFWSA-N 342.355 1.655 0 40 EDAB CCC(=O)c1cccc(S(=O)(=O)N2CC(=O)Nc3cnccc32)c1 390835304 JYTPEJICEYFCGT-UHFFFAOYSA-N 345.380 1.822 0 40 EDAB O=S(=O)(c1cccc2c1OCO2)N1CCNC[C@@H]1c1ccncc1 576768701 YQEMOVWJCXYVNF-CYBMUJFWSA-N 347.396 1.146 0 40 EDAB CC(C)CC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cccn3C)[C@H]2C1 575402449 AMYAREVZTIXWQF-SQWLQELKSA-N 333.432 1.274 0 40 EDAB O=C(NCCn1nc2c(cc1=O)CCC2)c1c(F)cccc1Cl 575608354 NGIHXMMRYCGFKU-UHFFFAOYSA-N 335.766 1.955 0 40 EDAB CCCCC(=O)N1CC2(C1)CN(C)[C@@H](C(=O)NC1CCCC1)CO2 575402704 AVVOILAIXVGMFT-OAHLLOKOSA-N 337.464 1.147 0 40 EDAB CCCCNC[C@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@H]1O 585286384 QJMUHSUSBUUVDW-WBVHZDCISA-N 340.851 1.668 0 40 EDAB CC(C)CNC[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O 585283271 DVIRBMQSJQYIPK-HKUYNNGSSA-N 334.460 1.189 0 40 EDAB O=C1CCCN1CC[C@H]1CN(Cc2ccccn2)Cc2ccnn21 585111837 COUVOWZUWYUQGD-KRWDZBQOSA-N 325.416 1.848 0 40 EDAB CCc1nc(CN2CCCN(C(=O)Cn3cc(C)cn3)CC2)cs1 69878841 IGDYWMNORHTFDU-UHFFFAOYSA-N 347.488 1.945 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(C(C)=O)CC2)c1C 34858318 UGPWKQZTYJVQTO-GFCCVEGCSA-N 335.404 1.153 0 40 EDAB O=C(c1cnsn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 47608854 FNHYCSPMGZBPFF-UHFFFAOYSA-N 332.385 1.225 0 40 EDAB NC(=O)[C@H]1CCC[C@@H]1NC(=O)CCNC(=O)c1ccc(Cl)cc1 76088894 DJKKCDCYJRBPOS-STQMWFEESA-N 337.807 1.230 0 40 EDAB O=C(Nc1ccc(Cc2nnn[nH]2)cc1)c1ccc(-n2cnnc2)cc1 89787945 QKYOFDIZJDNEGI-UHFFFAOYSA-N 346.354 1.624 0 40 EDAB O=C(NCc1ccnc(OCC(F)(F)F)c1)N1CCC(O)CC1 89884796 OTGXGKNXURBZDE-UHFFFAOYSA-N 333.310 1.689 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC(CN(C)C)CC1 78394462 AHQBSIHSESRJFJ-UHFFFAOYSA-N 344.463 1.474 0 40 EDAB Cc1nc([C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CCO2)n[nH]1 78894250 WDGSUSPSNNOSJY-HNNXBMFYSA-N 329.404 1.388 0 40 EDAB CS(=O)(=O)NCCN1CCC[C@H](COc2ccccc2Cl)C1 95436527 FNILTZLLRJIBFF-ZDUSSCGKSA-N 346.880 1.980 0 40 EDAB O[C@]1(COc2cccc(F)c2)COCCN(C2CCOCC2)C1 1615191410 LAJNRXQSZFWNNW-KRWDZBQOSA-N 325.380 1.447 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc1 12188448 OPASLBPITBZUCP-CJNGLKHVSA-N 338.429 1.327 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1OC 16681810 MRHWBVXQDQUJRA-UHFFFAOYSA-N 338.385 1.516 0 40 EDAB CN(C)c1nc2n(c(=O)n1)CCN2C(=O)Nc1cccc(Cl)c1 16855427 AYSSXCYLCUXKPC-UHFFFAOYSA-N 334.767 1.410 0 40 EDAB Cc1ccc2occ(CN3C[C@@H]4C[C@@H](O)CN4C[C@H]3C)c(=O)c2c1 19219824 DJUKZDXNQNBIMR-VNQPRFMTSA-N 328.412 1.741 0 40 EDAB CC(C)Cc1cc(C(=O)N2CCN(CCOC(C)C)CC2)n(C)n1 19447447 WLIIUDJOWAYTSX-UHFFFAOYSA-N 336.480 1.801 0 40 EDAB Cc1nc(CC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)cs1 19746055 UAIWNLLGLREGSS-ZDUSSCGKSA-N 345.490 1.314 0 40 EDAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)C1CN(C2CCCCC2)C1 19747247 DAFLGUGGZQCZEK-UHFFFAOYSA-N 328.416 1.737 0 40 EDAB CC(=O)N1CCCC[C@@H]1c1ncc(C(=O)N2CCOCC2)c(C)n1 19751848 OWIMVZLPDYNKLO-OAHLLOKOSA-N 332.404 1.331 0 40 EDAB Cc1ccc([C@H]2C[C@@H]2C(=O)NCCN2CCS(=O)(=O)CC2)s1 101642703 UIXAZIRQWVIJPG-STQMWFEESA-N 342.486 1.007 0 40 EDAB CCc1ncnc(N2C[C@@H]3CN(Cc4nc(C)no4)C[C@@H]3C2)c1F 1888856877 RXGPFBVIXRLLDX-TXEJJXNPSA-N 332.383 1.438 0 40 EDAB CCN=c1cc(C)nc(N2CCN(c3nccn4nccc34)CC2)[nH]1 1889139211 UCTXPHTYJVIDLA-UHFFFAOYSA-N 338.419 1.008 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCCn1c(C)nc2sccc2c1=O 244986147 JHUURRILSHJPED-UHFFFAOYSA-N 345.428 1.547 0 40 EDAB COc1ccc(CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1F 40476598 GPWDTXHINGUPKZ-LBPRGKRZSA-N 329.393 1.412 0 40 EDAB COCCN1C(=O)CCC12CCN(C(=O)Cc1ccc(F)cn1)CC2 1565546935 HFCBSSHKNKUFAE-UHFFFAOYSA-N 349.406 1.393 0 40 EDAB COCCN1C(=O)CCC12CCN(C(=O)CCc1ccc[nH]1)CC2 1565549505 YLBDLNDTLBFWFD-UHFFFAOYSA-N 333.432 1.577 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCCN([C@@H]2CCOC2)CC1 1565523295 LEMHVGBEXZIYRQ-GFCCVEGCSA-N 346.399 1.450 0 40 EDAB O=C(CN1C(=O)CCC1=O)Nc1nc2c(F)cc(F)cc2s1 4325461 ABAHAQMNUSQFQD-UHFFFAOYSA-N 325.296 1.662 0 40 EDAB CCCS(=O)(=O)N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055772314 VGFKCLWTIBASSB-NSHDSACASA-N 341.433 1.001 0 40 EDAB COCC(=O)N1CCO[C@@H]2C[C@H](COCc3cccc(C)n3)C[C@H]21 2055729837 SYQLFEORUKKDMN-DJIMGWMZSA-N 334.416 1.559 0 40 EDAB Cc1nccc(O[C@@H]2CCN(S(=O)(=O)c3ccccc3F)C2)n1 575613108 OYBSLNBPABGZOX-GFCCVEGCSA-N 337.376 1.766 0 40 EDAB COc1nc(CNC(=O)/C=C/c2ccccc2C)nc(N(C)C)n1 575607755 QEWMAPGGWSXYJC-MDZDMXLPSA-N 327.388 1.584 0 40 EDAB Cc1ccnc2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12 2383062 AORNZGGULYMOMX-UHFFFAOYSA-N 325.300 1.512 0 40 EDAB CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccncc1 18266171 PXWSXSHHXVUQLD-GFCCVEGCSA-N 327.340 1.336 0 40 EDAB O=C(NC[C@H](O)c1ccoc1)C(=O)Nc1ccc(F)c(Cl)c1 75171975 VYPFLYLKVBCRQU-LBPRGKRZSA-N 326.711 1.860 0 40 EDAB O=C(NCc1nncn1-c1ccccc1)c1ccnc(-n2ccnc2)c1 50170998 VRDLULPHVNRMEC-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CCc1ccco1 40477251 SLMZHFQSIJUHFG-UHFFFAOYSA-N 336.413 1.578 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)Cc2c(C)nn(C)c2C)CC1 40513470 MCNLQKSEMCHUPU-UHFFFAOYSA-N 345.447 1.529 0 40 EDAB CN1CCN([C@@H](CNC(=O)CCn2cccn2)c2cccs2)CC1 40505184 BIXHPYACUOCVML-HNNXBMFYSA-N 347.488 1.440 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)c1cc(F)ccc1-n1cnnn1)C(=O)OC 20744719 YRNGHVJFVLUYJP-RNCFNFMXSA-N 335.339 1.119 0 40 EDAB CN1C[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)CC1=O 32277179 ZRTJWAIRYAYCAN-WFASDCNBSA-N 346.818 1.757 0 40 EDAB O=C(CN1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]21)Nc1ccccc1 102437019 LFJFUGNXVQEWQE-HOTGVXAUSA-N 339.326 1.390 0 40 EDAB COc1ccc2c(CN3CCC[C@H]3C(=O)N(C)C)cc(=O)oc2c1 32851153 GHZOTRCENGRJLQ-HNNXBMFYSA-N 330.384 1.854 0 40 EDAB O=C(CCn1cncn1)Nn1cnc2sc3c(c2c1=O)CCCC3 32895657 MSJAVHHXCDYWMY-UHFFFAOYSA-N 344.400 1.089 0 40 EDAB CN(C(=O)NCCCn1ccnc1)[C@H]1CCN(c2ccccc2)C1=O 76065776 OWJVYCKBBDCHMG-INIZCTEOSA-N 341.415 1.720 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1nc(-c2ccccc2)ns1 77649467 LKRNXMANKCVQEM-JTQLQIEISA-N 337.426 1.968 0 40 EDAB CS(=O)(=O)c1ccc(CCNc2nc3ccccc3c(=O)[nH]2)cc1 78380700 XTZLPOUOLZHVDL-UHFFFAOYSA-N 343.408 1.981 0 40 EDAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)[C@@H]1CCS(=O)(=O)C1 53366776 PCRJNJDAHFXVON-ZWNOBZJWSA-N 327.377 1.590 0 40 EDAB CCn1cc(Cn2cc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cn2)cn1 2809391 TVLZJBQQYIDTMV-LSDHHAIUSA-N 345.403 1.977 0 40 EDAB CC(C)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NC2CC2)CC1=O 4511298 PWWZHEUVJSIDQN-LBPRGKRZSA-N 329.400 1.774 0 40 EDAB C[C@@H]1C(=O)NCCN1C[C@H](O)COc1ccccc1C(F)(F)F 97085895 KLCLTNDNPACFJO-MNOVXSKESA-N 332.322 1.265 0 40 EDAB O=C([C@@H]1CCCN(c2ncnc3cccc(F)c23)C1)N1CCOCC1 54056306 YMCPKUDUSVCDNB-CYBMUJFWSA-N 344.390 1.844 0 40 EDAB C[C@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCCn4ncnc43)ccc2O1 97013378 FKWACXSLOQMAAX-GXFFZTMASA-N 334.401 1.415 0 40 EDAB O=C(COC(=O)c1cnccn1)Nc1ccc(N2CCCC2=O)cc1 8293249 ZYHSFSJBZNLLIB-UHFFFAOYSA-N 340.339 1.399 0 40 EDAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CNC(=O)c2ccco2)c1 8358049 OCOUBYAHNTZVND-UHFFFAOYSA-N 343.383 1.723 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 43283474 NZTCBXWTEXDPNP-WCQYABFASA-N 332.360 1.412 0 40 EDAB CCO[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 106871050 HOIIUSXAAPITJJ-DDTOSNHZSA-N 326.418 1.278 0 40 EDAB COC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccc(C)cc1 26455751 PBGYLALCDWQADU-INIZCTEOSA-N 329.400 1.872 0 40 EDAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCO2)C1 57418561 GCWQYIWIJKRKFL-CABCVRRESA-N 346.431 1.929 0 40 EDAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CC(n2cccn2)C1 57800427 BKYFZRDJEUWOQR-LBPRGKRZSA-N 328.347 1.459 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)n3cccn3)cn2)CCO1 44553002 ZJLVBEUTEGSDFS-UONOGXRCSA-N 329.404 1.381 0 40 EDAB CC(=O)N[C@H]1CCCN(CCCc2nnnn2-c2ccccc2)C1 57992100 BAXUSURXYMCZBC-HNNXBMFYSA-N 328.420 1.195 0 40 EDAB CCOC(=O)C1=C(CN(C)Cc2ccccc2F)NC(=O)N[C@@H]1C 58149131 VWWBGFQHDQXKDL-LLVKDONJSA-N 335.379 1.776 0 40 EDAB CN1CCN(CCCn2cnc3c([nH]c4ccccc43)c2=O)CC1 20111577 ANSVXZSGLQFKBU-UHFFFAOYSA-N 325.416 1.515 0 40 EDAB biogenic COc1ccc(CCC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1F 44722355 VWAFEBPOMGEZFH-GFCCVEGCSA-N 329.393 1.318 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@@H](C)n1cncn1)O[C@H](C)C2 27582513 IXIUQTXGNHQXKP-VXGBXAGGSA-N 330.388 1.878 0 40 EDAB Cc1ccc(CNC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 48251059 NDMZFHDLYXOJFZ-UHFFFAOYSA-N 325.434 1.218 0 40 EDAB O=C(C[C@H]1C=CCC1)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 58231301 WGDMHALPWQAGDC-JTQLQIEISA-N 342.355 1.040 0 40 EDAB CC(=O)Nc1nc(CSc2nnnn2CC(F)(F)F)cs1 58296793 KBQPMYIZXVZDBX-UHFFFAOYSA-N 338.340 1.943 0 40 EDAB C[C@H]1COCCN1C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 44912556 VUXSGVYZJWRCCJ-NEPJUHHUSA-N 338.429 1.258 0 40 EDAB O=C(CCN1C(=O)COc2ccccc21)N[C@H]1CCN2CCCC[C@H]12 44941836 UPGSWXHVKPIPKP-LSDHHAIUSA-N 343.427 1.545 0 40 EDAB C[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCO1 27881978 CIHHSONVBKSNBG-GWCFXTLKSA-N 331.821 1.797 0 40 EDAB O=C(NC[C@H]1CCCO1)N1CCC(c2nnc3ccccn23)CC1 58380270 GDNMWMNMRXTARM-CQSZACIVSA-N 329.404 1.797 0 40 EDAB CC1(C)[C@@H]2CC=C(CN3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)O)[C@H]5C3=O)[C@@H]1C2 101239850 KFWIQRFOCDYDRG-BLXOOQHHSA-N 329.396 1.845 0 40 EDAB O=C(COC(=O)[C@H]1COc2ccccc2O1)NCc1cccs1 3308988 VNXLCRZWROODCA-CQSZACIVSA-N 333.365 1.748 0 40 EDAB CN(CCNC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 29953691 LRFTZSFTCOEQJK-UHFFFAOYSA-N 347.440 1.924 0 40 EDAB CCn1c(=O)n(CC(=O)Nc2cnn(CCOC)c2)c2ccccc21 59256781 YAOZQEHHJSWYHI-UHFFFAOYSA-N 343.387 1.305 0 40 EDAB Cc1ccc(C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 29188764 HTKNTVIOQVYOBI-KBPBESRZSA-N 340.445 1.164 0 40 EDAB NC(=O)c1ccc(CN2CCN(C[C@H](O)c3ccccc3)CC2)cc1 46093682 RJTBMZJZJHAUER-IBGZPJMESA-N 339.439 1.637 0 40 EDAB COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)C[C@H]1CCCO1 46117657 DIOKHRRUJUMHCZ-NWDGAFQWSA-N 327.402 1.616 0 40 EDAB CNC(=O)CN1CCC(NC(=O)N(Cc2ccc(C)o2)C2CC2)CC1 48354614 UXIWDGNSPODETL-UHFFFAOYSA-N 348.447 1.472 0 40 EDAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCCC2)C1=O 3456925 XJEMWHXJMGBPRG-INIZCTEOSA-N 335.791 1.729 0 40 EDAB NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC(c2cn[nH]c2)CC1 97203061 DJXWTUNQQSCWPG-OAHLLOKOSA-N 327.388 1.525 0 40 EDAB CC(C)n1ncc2cc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cnc21 13014974 NBVIZCQDPPUXCF-ZDUSSCGKSA-N 336.417 1.271 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 9114071 OJAMYMJIPKHNDT-UHFFFAOYSA-N 337.376 1.332 0 40 EDAB CC(C)CNC(=O)[C@H](C)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 84544295 FYABURYHLLUHCK-WDEREUQCSA-N 347.385 1.653 0 40 EDAB CC(=O)Nc1ccc(NC(=O)COc2ccc(C(N)=O)cc2)cc1 6290416 UKOAESKWYHMREV-UHFFFAOYSA-N 327.340 1.761 0 40 EDAB CC[C@](C)(NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)C(=O)OC 65494059 VYIMRJRKAOGMQG-KSSFIOAISA-N 348.399 1.876 0 40 EDAB C[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)s1 65422815 JJJBKDOFSCNISG-ZETCQYMHSA-N 327.797 1.966 0 40 EDAB CC(C)(C)c1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)no1 65415387 OVOSBAZFTOYTOB-LBPRGKRZSA-N 348.447 1.977 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)C(C)(C)C)C2=O 6369232 HDVLXTQULKLLGM-PIGZYNQJSA-N 338.404 1.646 0 40 EDAB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 65563530 NWYYWISRHCUPKN-UHFFFAOYSA-N 346.320 1.069 0 40 EDAB O=C(NCC1CC1)[C@H]1CSCN1S(=O)(=O)c1ccccc1F 65537012 GCOVFFVVKCJBQT-GFCCVEGCSA-N 344.433 1.416 0 40 EDAB COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C)cc2)cc1 26186402 NTIPMESLPZNJKN-UHFFFAOYSA-N 348.424 1.712 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)c1n[nH]c(=O)c2ccccc12 14134934 ZDLIVQSKVZACPX-UHFFFAOYSA-N 337.335 1.624 0 40 EDAB CC(C)c1ccc(-n2nnnc2SCC(=O)N2CCNC2=O)cc1 14135272 VEGCZRWABSECCS-UHFFFAOYSA-N 346.416 1.430 0 40 EDAB COc1ccc(OC[C@H](O)CN2C(=O)CC3(CCCC3)C2=O)cc1 14253993 WRANMNBVNWWTGD-CYBMUJFWSA-N 333.384 1.754 0 40 EDAB CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)[C@@H]1C=CCC[C@H]12 4665029 LOAGISHDYLXNHV-TWKYDXJASA-N 325.364 1.726 0 40 EDAB NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 4976824 OLTJEIKXAJOGLH-LBPRGKRZSA-N 349.818 1.417 0 40 EDAB CCOC(=O)[C@@H]1Nn2c(C)nnc2S[C@H]1c1ccc2c(c1)OCO2 16776916 BXWPTWVYERPFEN-OLZOCXBDSA-N 348.384 1.637 0 40 EDAB O=C(CN1CCCC[C@H]1Cn1cncn1)N1CCc2ccccc2C1 71876180 WLLYEJLCQOHGHP-SFHVURJKSA-N 339.443 1.718 0 40 EDAB COc1ccc2c(CC(=O)N3CCN(C[C@@H](C)O)CC3)coc2c1 70020874 ZHEOXAUUMVERML-CYBMUJFWSA-N 332.400 1.509 0 40 EDAB Cc1c(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)nnn1-c1ccccc1 71829498 HJLMTHASASYALN-WCQYABFASA-N 327.388 1.302 0 40 EDAB COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@H](C)NC(N)=O 71885774 HPGOQHFETILKPM-VIFPVBQESA-N 331.775 1.511 0 40 EDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCN(Cc2cccs2)CC1 71817209 OBVWSJNGRALEMM-CYBMUJFWSA-N 333.457 1.403 0 40 EDAB CC(C)[C@@H](NC(=O)CCCNC(=O)C1CC1)c1nnc2ccccn12 69588423 BFJJORDJPBJWIN-MRXNPFEDSA-N 343.431 1.849 0 40 EDAB COc1ccnc(N2CCN(CC(=O)c3cc(C)[nH]c3C)CC2)n1 69563494 YJQISCPWTSQDAD-UHFFFAOYSA-N 329.404 1.435 0 40 EDAB Cc1noc(CNC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2=O)n1 71909617 YQKBSGPJWXMHRE-ZDUSSCGKSA-N 347.350 1.512 0 40 EDAB CN(CC(=O)Nc1cc(-c2ccccc2F)no1)S(C)(=O)=O 71900751 SQTVEXFIGXXELO-UHFFFAOYSA-N 327.337 1.311 0 40 EDAB COc1ccccc1C[C@H]1CCCN1C(=O)NCc1ncn(C)n1 91789893 HXGQHDLQUHDSTF-CQSZACIVSA-N 329.404 1.740 0 40 EDAB Cc1cc(CNC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)on1 69776877 NZDPFRHVVDERBW-GFCCVEGCSA-N 325.434 1.937 0 40 EDAB COC(=O)CN(CCN1CCOCC1)C(=O)CCc1cccc(C)c1 69741809 NCCRZSYIRUCGJQ-UHFFFAOYSA-N 348.443 1.261 0 40 EDAB O=C([C@@H]1CCCN1Cc1ccccc1)N1CCCS(=O)(=O)CC1 69843488 DNHUBATWPUZBNL-INIZCTEOSA-N 336.457 1.298 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCO[C@H](CN(C)C)C1 69947429 YSUBQHOIBDCDDB-BFYDXBDKSA-N 347.459 1.277 0 40 EDAB O=C1CC[C@@H]2CN(S(=O)(=O)CC3CCCC3)CC[C@H]2N1C1CC1 95986788 SQOBGAMPQKHBTP-GDBMZVCRSA-N 340.489 1.982 0 40 EDAB C[C@H](C1CC1)N(C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)C1CC1 95949024 DIUMIGIHNSYVHJ-SNVBAGLBSA-N 329.404 1.379 0 40 EDAB Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3c3ncon3)[nH]n2)cc1 95981396 RHBVUIGZJZGBIG-OAHLLOKOSA-N 339.355 1.982 0 40 EDAB Cc1nc(C)c(CCC(=O)Nc2cc(Cl)c(=O)n(C)c2)c(=O)[nH]1 89499557 CAHSMGSVXJFKCI-UHFFFAOYSA-N 336.779 1.310 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccc(-n2ccnn2)cc1 89845932 HMBOVFHLOAFHMR-UHFFFAOYSA-N 337.387 1.545 0 40 EDAB CCOC(=O)c1ccc(NCCc2ccc(S(N)(=O)=O)cc2)nc1 24052724 HSRAUSKTDIJNHV-UHFFFAOYSA-N 349.412 1.560 0 40 EDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1c(C)noc1C 24481666 JWYCLMYXYDDSKC-AVGNSLFASA-N 342.417 1.786 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C(=O)[C@@H]12 409287151 SOCSTSAMTPGLPP-WVUIBDRISA-N 331.368 1.047 0 40 EDAB CN(Cc1csc(CNC(=O)c2ccccc2)n1)C1CC(N)C1 515488366 SRVLVENKAKXVNH-UHFFFAOYSA-N 330.457 1.995 0 40 EDAB CCCS(=O)(=O)CC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 73204276 GWBBGBOIINCYJC-CYBMUJFWSA-N 335.429 1.874 0 40 EDAB Cc1ncsc1CNC(=O)CCN1CCN(c2ccccn2)CC1 73422732 WBOGFEFJJKUNJU-UHFFFAOYSA-N 345.472 1.675 0 40 EDAB CC(=O)N1CC(NC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)C1 188140836 YQBGEXGTYWDYDI-VIFPVBQESA-N 330.306 1.820 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CCS(=O)(=O)C1 32784496 ACXJVGXVKGQYBB-CQSZACIVSA-N 341.477 1.392 0 40 EDAB O=C1CC[C@H](C(=O)N2CCC(CN3CCc4ccccc43)CC2)N1 71896797 BYKUYDPICGFAMB-MRXNPFEDSA-N 327.428 1.566 0 40 EDAB O=c1n(CCCNc2ncnc3cccc(F)c23)nc2n1CCCC2 79311212 OWEJOYMHHWPGDY-UHFFFAOYSA-N 342.378 1.966 0 40 EDAB CS(=O)(=O)[C@H]1[C@@H](C(N)=S)[C@@H]1c1ccc(Br)cc1 218199082 ZPJOFTHBLNKGLK-LPEHRKFASA-N 334.260 1.862 0 40 EDAB Cc1nc(CC(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)cs1 79306806 DVRCRYFIJKXIEC-UHFFFAOYSA-N 341.396 1.917 0 40 EDAB COc1ccc(CCNC(=O)c2cc3n(n2)CCCO3)cc1OC 77866092 PLOOPOQDHPVBAX-UHFFFAOYSA-N 331.372 1.655 0 40 EDAB CN(C(=O)c1cnc(-c2cnn(C)c2)s1)c1ccc(C(N)=O)cc1 78990313 RRGHWLVOVMAKHV-UHFFFAOYSA-N 341.396 1.919 0 40 EDAB O=C(CSC1CCCC1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238973874 ZQSFVRGYLZSBSK-HUUCEWRRSA-N 348.468 1.824 0 40 EDAB O=C(NCCc1ccncc1)c1ccc(Cl)cc1-n1cnnn1 79494383 ANIPMZKWUVTUTK-UHFFFAOYSA-N 328.763 1.683 0 40 EDAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC(n2ccnn2)C1 225694512 VTMWTIVSBQNQQR-UHFFFAOYSA-N 332.307 1.543 0 40 EDAB COc1ccccc1Cn1c(=O)c2sccc2n2c(=O)[nH]nc12 75416363 CJPWKTXVGXBENJ-UHFFFAOYSA-N 328.353 1.456 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)c2c(C)nn(C)c2C)c2ccccc2O1 225884257 ALYOEGPKVMDKSZ-AWEZNQCLSA-N 329.356 1.618 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223181638 MGLPRAHLJWHNAT-NWDGAFQWSA-N 328.434 1.764 0 40 EDAB CN(C)c1cc(C(=O)NC2CCS(=O)(=O)CC2)nc2ccccc12 225800747 PBWVMZKWUIPTJH-UHFFFAOYSA-N 347.440 1.608 0 40 EDAB COc1cccc(COCCNC(=O)N[C@@H]2C(=O)NCC[C@H]2C)c1 225653726 QAJTVXJRJBLCPL-DOMZBBRYSA-N 335.404 1.036 0 40 EDAB C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)Cc1cccc(N(C)C)c1 89923277 DHQPMJJIPBYKNR-HOCLYGCPSA-N 346.475 1.297 0 40 EDAB Cc1noc(C)c1CNC[C@@H]1Cn2nnc(-c3ccncc3)c2CO1 96199251 PKIBWTIJAVKDAS-CQSZACIVSA-N 340.387 1.634 0 40 EDAB C[C@@H]1CCCN(C(=O)Cn2cc(I)cn2)C1 96413723 XHZPARSIYNLYKY-SECBINFHSA-N 333.173 1.746 0 40 EDAB Cc1ccc(N2CCO[C@@H]3CN(C(=O)C4CC=CC4)CC[C@@H]3C2)nn1 96249815 DCRPKQPDEPUJCD-IAGOWNOFSA-N 342.443 1.805 0 40 EDAB O=C(NCc1ccco1)[C@H]1CO[C@@H]2CN(CC3CCOCC3)C[C@@H]21 96219474 RJDABNKSJRCOSX-IXDOHACOSA-N 334.416 1.269 0 40 EDAB COc1cn(CC(=O)Nc2cc(F)c(F)c(F)c2)c(CO)cc1=O 95475271 SUGRMMNJRDUCTA-UHFFFAOYSA-N 342.273 1.405 0 40 EDAB CCCS(=O)(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 96421265 ATYJTTIFVVAOKI-ZBFHGGJFSA-N 326.462 1.605 0 40 EDAB O=C(N[C@@H]1Cc2cccc(O)c2C1)N1CC[C@H](CN2CCCC2)C1 579852889 HJADWUGXNCLKFI-GDBMZVCRSA-N 329.444 1.987 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2ccncc2)cn1 96057997 CAUUJRCZOSDWHS-RCCFBDPRSA-N 328.416 1.764 0 40 EDAB O=S(=O)(c1cccnc1)N1CCN(c2ccncc2Cl)CC1 96453996 RSZSPWUZWKKGRO-UHFFFAOYSA-N 338.820 1.641 0 40 EDAB COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cccc(C)n1)CC[C@H]2OC 96108546 VWLHPJPLBRLNHT-USXIJHARSA-N 333.432 1.198 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 583616299 CZFAXROQSYMJKT-XHSDSOJGSA-N 325.430 1.546 0 40 EDAB Cc1c(C(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)cnn1C1CCCC1 583618928 IJUODKOKMNINMG-KRWDZBQOSA-N 344.419 1.549 0 40 EDAB c1coc(CN2CCC[C@@]3(COCCN(Cc4c[nH]nn4)C3)C2)c1 96049493 OQHBSEDUPYUPQC-QGZVFWFLSA-N 331.420 1.512 0 40 EDAB CCn1cc(CN(C)C(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)cn1 96431056 MOQDWPHTQQRXIX-CYBMUJFWSA-N 339.403 1.776 0 40 EDAB CCn1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)n1 96181648 RJFWTUMXKAHJSM-HZPDHXFCSA-N 346.362 1.579 0 40 EDAB Cc1ccc(CN(C(=O)CN2CCCN(C(N)=O)CC2)C2CC2)cc1 96453059 BDWLPEBZILZRSP-UHFFFAOYSA-N 344.459 1.572 0 40 EDAB Cn1cnc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)n1 585121457 PXUYSGQKPJCAAX-LLVKDONJSA-N 335.408 1.933 0 40 EDAB O=C(CN1CCCCC1)N1C[C@@H]2[C@@H](CC[C@H]2Nc2cnccn2)C1 257339486 ZBYPVPMZIZTENK-ARFHVFGLSA-N 329.448 1.611 0 40 EDAB CCc1cc(C(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)on1 257211425 BYUPCDWTWXOGMZ-KRWDZBQOSA-N 348.378 1.532 0 40 EDAB O=C(NC[C@]1(O)CCN(c2ccccn2)C1)c1cnc(C2CC2)nc1 257289531 PZAQBJFAYITXSQ-GOSISDBHSA-N 339.399 1.120 0 40 EDAB CCn1cc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)cn1 257299786 RRPGFMUIYNBPKK-QGZVFWFLSA-N 347.394 1.198 0 40 EDAB CCOC(=O)c1ccn(-c2ccccc2NC(=O)N2CC[C@@H](O)C2)n1 345701346 ZXAUUQPZNRBVCF-GFCCVEGCSA-N 344.371 1.648 0 40 EDAB CN1CCN(C(=O)CN2CCCCCC2=O)C[C@@H]1c1ccccc1 257204633 AVPMEFIDBQRWNW-QGZVFWFLSA-N 329.444 1.904 0 40 EDAB CCS(=O)(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 257284743 PECMKRNIASHNQM-INIZCTEOSA-N 339.461 1.400 0 40 EDAB CC(C)n1nccc1C(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 257264717 LVTWNDDZEHXHGJ-SFHVURJKSA-N 343.431 1.572 0 40 EDAB CC(=O)Nc1ccc2nc(NC(=O)CCCn3cnnn3)sc2c1 604418930 RKZXLHQKZXPIOK-UHFFFAOYSA-N 345.388 1.660 0 40 EDAB CC(C)CC1(C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)CCC1 1616031942 GUORUPBMVRZIBD-ZDUSSCGKSA-N 348.447 1.397 0 40 EDAB CC(C)(C(=O)NCCn1ccc(O)nc1=O)c1cccc(Cl)c1 1616038075 SICIQHAZILJWME-UHFFFAOYSA-N 335.791 1.696 0 40 EDAB CNC(=O)[C@]1(COC)CCCN1C(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21 606445101 YECKFIKWMCYBAV-YYAJDYIMSA-N 328.412 1.326 0 40 EDAB CO[C@]1(CNC(=O)C(=O)Nc2ccccc2Cl)CCSC1 96097731 YJRMKUZRXLPZET-AWEZNQCLSA-N 328.821 1.917 0 40 EDAB CCOCC[C@H]1CN(CCS(=O)(=O)CC)Cc2cccn2C1 585095029 AMYQAFKALCMHLE-HNNXBMFYSA-N 328.478 1.781 0 40 EDAB O=C(CC1CC1)NCc1cnc2n1CCN(C(=O)C1(F)CC1)CC2 585110628 OJJCKYGIZKJRBM-UHFFFAOYSA-N 334.395 1.186 0 40 EDAB CS(=O)(=O)c1ccc([C@H](O)CN2CCC[C@@H]2Cn2cccn2)cc1 69659163 HXNJMIMWLUIMMB-NVXWUHKLSA-N 349.456 1.485 0 40 EDAB O=S(=O)(C[C@H]1CCCCO1)NCc1cnn(-c2ccccc2)c1 69620216 HGGKEDYQMNBXCS-MRXNPFEDSA-N 335.429 1.861 0 40 EDAB CN(C)C(=O)CS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 69950581 YONKWLJMVIIILM-UHFFFAOYSA-N 325.365 1.014 0 40 EDAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccco1 46586062 TZGLNPXGCGPJLO-JTQLQIEISA-N 341.323 1.378 0 40 EDAB Cc1ccc2nc(CNC(=O)Cn3nnc(-c4ccccc4)n3)cn2c1 57267982 XSBYOTJKYIMRMQ-UHFFFAOYSA-N 347.382 1.613 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2nc(C(C)(C)C)cs2)n(C)c1=O 84284748 ACWVVDFOZCIPMJ-UHFFFAOYSA-N 333.417 1.236 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(C[C@@H](O)c3c(F)cccc3F)C2=O)cn1 72914593 XFVNWJGVBHQYDM-BXUZGUMPSA-N 349.337 1.350 0 40 EDAB CC[C@H]1CN(C(=O)c2ccc(CNC(C)=O)o2)C[C@H]1N1CCOCC1 84736089 WXQTWUFDHLBWSO-GOEBONIOSA-N 349.431 1.099 0 40 EDAB COC(=O)[C@H](c1ccccc1)N(C)C(=O)CSc1nccn1C 76017970 TULCOVMWRNQCBM-AWEZNQCLSA-N 333.413 1.885 0 40 EDAB Cc1nc(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc2nncn12 560831745 XANHEHFGPMMVBG-YOEHRIQHSA-N 327.363 1.737 0 40 EDAB CC(=O)Nc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 5157774 RBNZVIOMTSXKOA-UHFFFAOYSA-N 337.339 1.389 0 40 EDAB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 12520830 UMTFTTVILNGNCH-UHFFFAOYSA-N 346.455 1.847 0 40 EDAB Nc1c(C(=O)NC[C@H]2CCCO2)sc(=S)n1C[C@H]1CCCO1 13547228 LVYCBQHQKPNMQR-NXEZZACHSA-N 343.474 1.949 0 40 EDAB O=C(C1CCNCC1)N1CCC(O)(Cn2ccc3ncccc32)CC1 19346451 OPZUNNOVOKVZPU-UHFFFAOYSA-N 342.443 1.389 0 40 EDAB Cc1nc(C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)cs1 225443155 BURQQFGIDKISJW-LLVKDONJSA-N 333.417 1.601 0 40 EDAB CCN1CC(NC(=O)c2cc(Cl)c(N)cc2OC)CN1CC 19168101 YFXIKEZOBJFVAQ-UHFFFAOYSA-N 326.828 1.602 0 40 EDAB in-man COc1ccc(O)c(C(=O)OCC(=O)NC(=O)c2ccccc2)c1 9550050 QLIIYIQKPVAEHM-UHFFFAOYSA-N 329.308 1.514 0 40 EDAB Fc1c(C2CCOCC2)ncnc1N1CCN(c2ncccn2)CC1 1888842893 ZQYKSCOTYSTVOH-UHFFFAOYSA-N 344.394 1.626 0 40 EDAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2cnccn2)C3)nc1 1888873353 LNTQZILBCZUBRV-KDOFPFPSSA-N 339.399 1.896 0 40 EDAB CCOC[C@H]1CN(C(=O)c2cc(C(C)=O)[nH]n2)Cc2cn(C)nc21 1565549845 GMLHVFUUWZTGKK-GFCCVEGCSA-N 331.376 1.122 0 40 EDAB O=C(c1cc[nH]c1)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 1565549912 JAPAZLGBYMPQAJ-IKGGRYGDSA-N 327.384 1.999 0 40 EDAB COc1cc(OC)cc(C(=O)OCn2nnc3ccccc3c2=O)c1 428838 BECLKSJEVHRXEI-UHFFFAOYSA-N 341.323 1.623 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(C)n2)cc1 4076265 KXDJPEBOGXSFJX-UHFFFAOYSA-N 339.442 1.931 0 40 EDAB CCOc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1OCC 4504519 AZWFFKCUVJXBHN-CYBMUJFWSA-N 341.429 1.743 0 40 EDAB Cc1noc(C)c1CN1CCC[C@](C(=O)N(C)C)(n2cccn2)C1 2055772459 LCWVDDWWIAWDMC-KRWDZBQOSA-N 331.420 1.567 0 40 EDAB O=C(N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1)C1CC=CC1 2055731791 WJFJNTVZKABRFF-ZIAGYGMSSA-N 331.416 1.181 0 40 EDAB CCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccon3)ccc21 22732680 NRFDEYKAWIWUMK-UHFFFAOYSA-N 342.399 1.745 0 40 EDAB CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907364 KRYSYRGSUAKMNL-MRXNPFEDSA-N 341.411 1.631 0 40 EDAB COC(=O)N1CCC(CNS(=O)(=O)c2ccc(F)c(C)c2)CC1 43956763 UDBFQBOZSYJJRR-UHFFFAOYSA-N 344.408 1.891 0 40 EDAB COc1ccc(CCn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 22425172 QNNLZWCXHACMSZ-UHFFFAOYSA-N 348.790 1.338 0 40 EDAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(O)cc1O 10423060 WORKLSGPGXLUOU-UHFFFAOYSA-N 330.271 1.937 0 40 EDAB O=C(NC1CCN(Cc2nnnn2-c2ccccc2)CC1)C1CC1 30282856 ZSTOWBWZWAUTRB-UHFFFAOYSA-N 326.404 1.153 0 40 EDAB CC(C)[C@@H](CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1 40489482 QHEKVLQXVQRVJV-GFCCVEGCSA-N 348.369 1.375 0 40 EDAB CC(C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)N1CCOCC1 40489108 GGMFTSVOJTZRET-OAHLLOKOSA-N 344.411 1.880 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)C1=NN(C)C(=O)CC1 40474072 RZBXLJXMLPFJGG-LBPRGKRZSA-N 331.372 1.283 0 40 EDAB NC(=O)c1ccccc1OCc1nc(N)nc(Nc2ccccc2)n1 40466374 XMDCKRIYIIRPEB-UHFFFAOYSA-N 336.355 1.875 0 40 EDAB C[C@@]1(c2cccc(NC(=O)COc3ccccc3)c2)NC(=O)NC1=O 40535854 ZUNSERLJLDFHFW-SFHVURJKSA-N 339.351 1.759 0 40 EDAB COCCNC(=O)[C@@H]1CSCN1c1ccc(C(F)(F)F)cn1 40556249 TVEYPTXPSJRKCE-JTQLQIEISA-N 335.351 1.742 0 40 EDAB CC(C)NC(=O)CNC(=O)c1nc(-c2ccc(OC(C)C)cc2)no1 20738887 AEFSCDAPOFTQDU-UHFFFAOYSA-N 346.387 1.778 0 40 EDAB C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc2c(c1)OCCCO2 32282495 LXQALIOOELRKJO-LLVKDONJSA-N 331.372 1.633 0 40 EDAB COc1ccccc1COC[C@H](O)CN1C(=O)c2ccccc2C1=O 24084996 WPKVZPRJWMLFOM-CQSZACIVSA-N 341.363 1.869 0 40 EDAB CC(=O)N[C@H](CC(=O)NC[C@@H](C)N1CCOCC1)c1cccs1 29961706 UNHJDEYPWMFYJI-TZMCWYRMSA-N 339.461 1.152 0 40 EDAB CCn1nnnc1-c1cccc(NC(=O)NCc2nccn2C)c1 76070572 WOMRXQPRIPIGDW-UHFFFAOYSA-N 326.364 1.415 0 40 EDAB COc1ccc2cc(CN(C)C(=O)[C@@H](C)N(C)CC(N)=O)ccc2c1 52831594 IMHYLFSDKGLTLD-CYBMUJFWSA-N 343.427 1.612 0 40 EDAB O=C1[C@@H](N2CCC(n3cncn3)CC2)CCN1c1ccccc1F 78670777 HSLRIKRPZVIDLQ-INIZCTEOSA-N 329.379 1.860 0 40 EDAB CCc1cc(N2CCC(N[C@@H](C(N)=O)c3ccccc3)CC2)ncn1 78996685 DLAGCHAABPTNHR-GOSISDBHSA-N 339.443 1.824 0 40 EDAB Cc1nn(C)cc1CCC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 84044495 CWHUTBPBXLIABT-UHFFFAOYSA-N 333.413 1.630 0 40 EDAB Nc1c(C(=O)Nc2ccccc2)nnn1-c1ccc2c(c1)OCCO2 4985041 CSXUGWUFFCQMFS-UHFFFAOYSA-N 337.339 1.873 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N(C)OC)ccc1Br 7722267 LULOVZVSAMKMQP-UHFFFAOYSA-N 338.179 1.418 0 40 EDAB C[C@]1(NC(=O)CSc2ccc3c(c2)CCC3)CCS(=O)(=O)C1 7736686 UFRBQFVRYVTREF-INIZCTEOSA-N 339.482 1.961 0 40 EDAB C[C@@H]1C[C@H]1C(=O)OCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 22770649 XALUIWXVCWHNHE-CZUORRHYSA-N 344.411 1.738 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)cs1 42360535 BPCDNFJDCJCCDT-ZDUSSCGKSA-N 348.472 1.107 0 40 EDAB Cc1ccc(-n2nnnc2SCC(=O)NC[C@H]2CCCO2)cc1C 8427791 YEJUYEVAFZSWAA-CQSZACIVSA-N 347.444 1.666 0 40 EDAB C[C@@H]1CNCCN1S(=O)(=O)c1ccc(F)cc1Br 54371142 FALGVKAYRUXSBB-MRVPVSSYSA-N 337.214 1.571 0 40 EDAB CN1CCC2(CC1)NC(=O)N(CN1CCc3ccccc3C1)C2=O 23640609 RNNQKSBDRGOXLS-UHFFFAOYSA-N 328.416 1.018 0 40 EDAB COc1cccc(CC(=O)N2CCN(Cc3cccnc3)CC2)c1 54723619 IBGPFYQFUHZRQL-UHFFFAOYSA-N 325.412 1.977 0 40 EDAB Cc1cc(COC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)on1 24423243 GKRHNZDWRIFKLV-UHFFFAOYSA-N 343.339 1.792 0 40 EDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCc1cccs1 103023488 HSMWKFJOVXWDQK-KBPBESRZSA-N 334.441 1.972 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2ccco2)cc1 22227051 IHDFCMKHOMGVIY-UHFFFAOYSA-N 336.413 1.939 0 40 EDAB CC(=O)NCCNC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 47757237 OOGXNBWHRFCWCL-UHFFFAOYSA-N 332.404 1.617 0 40 EDAB CN(C)c1cc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)ccn1 57146046 SWEKBZWTXLREFJ-UHFFFAOYSA-N 340.431 1.705 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 21820207 LYRGYEXGHQWNAO-TXEJJXNPSA-N 326.418 1.121 0 40 EDAB O=C(NCc1ncc[nH]1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 108469274 LVJUIKBNNBGMKG-IHRRRGAJSA-N 326.404 1.654 0 40 EDAB COc1ccc2c(CC(=O)NC[C@H]3CCS(=O)(=O)C3)coc2c1 44718914 YOPQSOOBFHOLSU-LLVKDONJSA-N 337.397 1.535 0 40 EDAB CS(=O)(=O)c1ccc(-n2nnnc2CNc2ccc(F)cc2)cc1 58154747 YFFJLGGNWYZMOV-UHFFFAOYSA-N 347.375 1.817 0 40 EDAB CCc1ccc2c(Cn3cc(C(=O)NC)ccc3=O)cc(=O)oc2c1 58213777 TUEXAGWZTOPRFC-UHFFFAOYSA-N 338.363 1.925 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)CCc1nc(-c2ccccc2)no1 44940425 CAXNDJGYQCBUGR-AWEZNQCLSA-N 344.415 1.506 0 40 EDAB O=C(NCCN1CCCCC1)[C@@H](Cc1ccccc1)n1cnnn1 44940161 XWCBSADELSIOGM-MRXNPFEDSA-N 328.420 1.059 0 40 EDAB COc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2)cc1 22274412 MFFPDKGZTDVKET-UHFFFAOYSA-N 348.424 1.979 0 40 EDAB CCN(Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)C(C)C 58394268 LZBLFIYARNGRBT-MRXNPFEDSA-N 338.473 1.834 0 40 EDAB C[C@@H](NC(=O)NCCCN1CCCC1=O)c1ccc2c(c1)OCCO2 48272829 YRDCKUDVAXVORH-CYBMUJFWSA-N 347.415 1.831 0 40 EDAB O=C(CCCN1CCOC1=O)NCc1ccccc1N1CCOCC1 58430850 CXXBTKNRYFNRNE-UHFFFAOYSA-N 347.415 1.372 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)CNCc1c(C)nn(C)c1N(C)C 58421751 PTJCOSKDULQXNW-INIZCTEOSA-N 346.475 1.941 0 40 EDAB O=C(NCc1cn2ccccc2n1)[C@H]1CC(=O)N(C2CCCC2)C1 28833957 SALBXALJUTYYHS-ZDUSSCGKSA-N 326.400 1.742 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)C[C@@H](C)O1 29455693 HUPIZDLXJRWVAK-RKDXNWHRSA-N 344.820 1.633 0 40 EDAB C[C@@H](OC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)NC1CCCC1 12765966 PKJRARXEVYGKFD-IAQYHMDHSA-N 346.383 1.767 0 40 EDAB Cn1cc(C(=O)NC2CCN(C(=O)COc3ccccc3)CC2)cn1 48341621 HNCREVSMRKINSO-UHFFFAOYSA-N 342.399 1.220 0 40 EDAB C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 12920004 MDMLTOONBQQURZ-GRYCIOLGSA-N 344.408 1.128 0 40 EDAB COCCN1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 19368087 NATVPFQKYFYNAY-UHFFFAOYSA-N 325.840 1.220 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 6078788 SEDBDKHYRAOJAB-BFUOFWGJSA-N 343.427 1.627 0 40 EDAB O=C(NCc1nnc2n1CCC2)N(C[C@H]1CCCO1)C[C@H]1CCCO1 65393139 PBHZHRQWCJAOAR-ZIAGYGMSSA-N 349.435 1.094 0 40 EDAB CCOc1ncnc2c1CN([C@@H](C)C(=O)NCc1cccs1)CC2 65463393 ANINFAQCGVJKLZ-LBPRGKRZSA-N 346.456 2.000 0 40 EDAB Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)CCC(C)C 65493415 KUWGAXNHZIAXIA-UHFFFAOYSA-N 335.496 1.923 0 40 EDAB CCN(CC)C(=O)CNC(=O)C(C)(C)n1cc(Br)cn1 65575547 DKERPZWKCXCUJG-UHFFFAOYSA-N 345.241 1.365 0 40 EDAB CN(CC(=O)NCC(=O)N(C)Cc1ccccc1)Cc1ccccc1 66048035 GBSBDBAMIBEWOF-UHFFFAOYSA-N 339.439 1.893 0 40 EDAB Cc1c(C(=O)NC2=NCCS2)nnn1-c1cccc2ncccc12 66751575 BERMIMPSDKKIJB-UHFFFAOYSA-N 338.396 1.957 0 40 EDAB CC(=O)c1ccc(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)cc1 15114522 ASVSBXKXPCGSNL-UHFFFAOYSA-N 332.791 1.953 0 40 EDAB O=C(NCC1(c2ccc(Cl)cc2)CC1)N[C@H]1CCS(=O)(=O)C1 67358842 RISDTYFZXPMNJG-ZDUSSCGKSA-N 342.848 1.858 0 40 EDAB O=C(COc1ccccc1P(=O)(O)O)N1CCc2ccccc2C1 9341418 OJBDTKLNWKWANC-UHFFFAOYSA-N 347.307 1.453 0 40 EDAB O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccc2c(c1)OCO2 8212304 UDARJIKLUJKRJW-UHFFFAOYSA-N 334.357 1.366 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)cc1 69386233 SLEOWXDAGRNORI-HNNXBMFYSA-N 342.399 1.057 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC(=O)Nc3ccncc3)CC2)n1 69351256 DDUAUPYXLSCBMS-LBPRGKRZSA-N 330.392 1.090 0 40 EDAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)N1CCOCC1 96301053 NOPXIZDZJWIGIA-UHFFFAOYSA-N 343.880 1.378 0 40 EDAB Cc1cc(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n(C)n1 96485013 KWUKAJMOYLNFCI-BBRMVZONSA-N 330.363 1.569 0 40 EDAB O=C(/C=C/c1ccccc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 69538360 HXAABXZTUJOIBW-USQNJUIBSA-N 334.441 1.077 0 40 EDAB O=C(CCN1C(=O)CCC1=O)Nc1nnc(-c2cccc(Cl)c2)[nH]1 69538770 SRRFWBBEHGVJMX-UHFFFAOYSA-N 347.762 1.603 0 40 EDAB C[C@H]1CN(Cc2cccc3c2OCCO3)CCN1Cc1nccn1C 69510974 VATMBEQDOCDGIP-HNNXBMFYSA-N 342.443 1.898 0 40 EDAB S=C(SC[C@H]1CN=C(N2CCOCC2)S1)N1CCCC1 69699656 YQPVULBAFVPDNU-LLVKDONJSA-N 331.532 1.904 0 40 EDAB CN(C)CCC1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 69669695 DOTVXBSBAJFFLA-QGZVFWFLSA-N 345.491 1.883 0 40 EDAB CCc1nnsc1C(=O)N1CCCN(Cc2cscn2)CC1 69662464 BWCCDDOMGSEMDN-UHFFFAOYSA-N 337.474 1.905 0 40 EDAB CC(C)N1CCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 71805626 VXUNMIADZSHXDM-UHFFFAOYSA-N 344.390 1.538 0 40 EDAB O=C1CCCCCN1CCNCc1ccc(-n2cncn2)c(F)c1 71834602 UOWAIPGWXBKYJS-UHFFFAOYSA-N 331.395 1.899 0 40 EDAB Cn1cc(CCC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 69947581 UQCIOWYOQQHKLD-GOSISDBHSA-N 342.443 1.231 0 40 EDAB Cc1cc(C)n(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1 71877761 PJXVNYUSJJRQRD-HNNXBMFYSA-N 339.461 1.458 0 40 EDAB Cc1cccn2cc(CNC(=O)Cn3c(=O)cnc4ccccc43)nc12 71893157 BKTQUQIEEKGFMV-UHFFFAOYSA-N 347.378 1.669 0 40 EDAB COc1cccc(CC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 71826741 HKLFPPSJHMFZKI-OAHLLOKOSA-N 344.386 1.837 0 40 EDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCN2CCCC[C@@H]2C1 71839667 CKNARPRNGYXOPL-HZPDHXFCSA-N 329.448 1.390 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)NCCN(C)C(=O)OC(C)(C)C 71803980 FOGDXJRTEKFLHN-LLVKDONJSA-N 339.440 1.956 0 40 EDAB CCCCn1nnnc1CN(C)[C@H]1CCCN(c2cccnn2)C1 71859735 PWMFDEOLIYJVAA-AWEZNQCLSA-N 330.440 1.364 0 40 EDAB Cc1ccc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c(=O)[nH]1 71942673 LPLKFXGTHHFZLL-UHFFFAOYSA-N 343.368 1.486 0 40 EDAB OCCOCCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 71907447 GLXDSFHRNOTUAJ-UHFFFAOYSA-N 332.366 1.832 0 40 EDAB O=C(CO)Nc1cccc(N[C@H]2CCN(c3ccccc3F)C2=O)c1 71900712 UEURBZYMYDGNMH-HNNXBMFYSA-N 343.358 1.974 0 40 EDAB Cc1cccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2N(C)C)c1 71913814 VGKKXCPUIXXKBG-UHFFFAOYSA-N 333.413 1.961 0 40 EDAB CC[C@H](C)NC(=O)CN1CCN(c2noc(-c3ccoc3)n2)CC1 97163755 ZYXZSGOUCPUEFN-LBPRGKRZSA-N 333.392 1.366 0 40 EDAB C[C@H]1Oc2ccccc2N(CCc2nc(-c3cnccn3)no2)C1=O 84509740 FSFPXAWJWDRDQK-LLVKDONJSA-N 337.339 1.883 0 40 EDAB CCOC(=O)c1ccoc1CN1CCN(Cc2nccn2CC)CC1 95351797 ICYVXBUMXGOPOM-UHFFFAOYSA-N 346.431 1.991 0 40 EDAB COCC(=O)N[C@H](C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F)C(C)C 84622379 RTUHLVZDKAHMLL-HICWGWBUSA-N 340.370 1.724 0 40 EDAB CN1CCC(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)CC1 95414319 DLABCRNZUWLPOR-MOPGFXCFSA-N 343.471 1.440 0 40 EDAB COC(=O)c1cc(NC(=O)CN2CC=CCC2)cc(C(=O)OC)c1 95466151 QEMZNCRXIMAIAP-UHFFFAOYSA-N 332.356 1.460 0 40 EDAB CCO[C@H]1C[C@H](O)C12CCN(c1ncc(Br)cn1)CC2 95400792 ZZWRBMDIBPPRQP-RYUDHWBXSA-N 342.237 1.995 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NCC2(C)CCC2)CC1 95996915 QCCAFKKOYWTAET-UHFFFAOYSA-N 340.493 1.959 0 40 EDAB CC(C)n1cc([C@@H](C)NC2CCN(CCS(C)(=O)=O)CC2)cn1 95967866 NSZGZGIRBMINKZ-CQSZACIVSA-N 342.509 1.624 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc4ccccn4n3)cc12 95944094 CLOHZEXDSJGLLQ-UHFFFAOYSA-N 343.372 1.120 0 40 EDAB CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)Cc2cc(F)ccc2F)O1 95984352 XPFMSQXZYAIXOO-TZMCWYRMSA-N 326.343 1.259 0 40 EDAB CC(C)(C)C[C@@H](NC(=O)N1CCS(=O)(=O)CC1)C(F)(F)F 95995190 SJPVQZSODQSQIN-SECBINFHSA-N 330.372 1.794 0 40 EDAB CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC(=O)N(C)C1 95956405 RLLNIAXWPDOOBP-ZDUSSCGKSA-N 339.386 1.333 0 40 EDAB Cc1ccc(Cc2cnc(NC(=O)Cn3ncn(C)c3=O)s2)cc1 95994917 VSRLBFLHPGTTTD-UHFFFAOYSA-N 343.412 1.576 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc3ccccn3c2)CC1 74257799 ARHMSUYPEJOOIC-QGZVFWFLSA-N 340.427 1.494 0 40 EDAB CCCc1nc(C)c(C(=O)N(C)C[C@H]2OCC[C@@H]2c2nc[nH]n2)o1 1551461577 RITMWEVSRVDZFA-NWDGAFQWSA-N 333.392 1.698 0 40 EDAB COc1cc(C)ccc1[C@@H]1[C@@H]2[C@H](C)NC(=O)N(C)[C@H]2NC(=O)N1C 519065 NAWGKDIMLGSLRQ-BSLXNSKLSA-N 332.404 1.686 0 40 EDAB biogenic CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC(C)C 217411184 ADMCIUNVVQCPAJ-UHFFFAOYSA-N 344.433 1.910 0 40 EDAB COc1ccc(NC(=O)CCn2c(O)nc3ccccc3c2=O)cn1 524732340 PZJUFHDFQZPMBP-UHFFFAOYSA-N 340.339 1.535 0 40 EDAB O=C(NCCn1cccc1)c1c(-n2cnnn2)sc2c1CCC2 524733455 SSXGGUFTNXCPGW-UHFFFAOYSA-N 328.401 1.444 0 40 EDAB O=C(C1CC(F)(F)C1)N1CC2(C[C@H](Oc3ncccn3)CCO2)C1 306140876 VFYWBESTJGTSQY-GFCCVEGCSA-N 339.342 1.661 0 40 EDAB CCOC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 409119219 RPZDRJYPUPVTRN-UHFFFAOYSA-N 327.402 1.849 0 40 EDAB Cc1cc(C(=O)N2CCC[C@]3(C2)NC(=O)c2ccccc2N3)on1 72347552 KVGAZUUJTWLYKL-QGZVFWFLSA-N 326.356 1.771 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC(Oc3ccccc3F)CC2)c1 72351122 SIJLIAFXVDUKFT-UHFFFAOYSA-N 339.392 1.791 0 40 EDAB NC(=O)Cc1csc(NC(=O)Cc2csc(-n3cccc3)n2)n1 36708363 SFEFSBFJNOOGHS-UHFFFAOYSA-N 347.425 1.599 0 40 EDAB Cc1ccc(CN(C)C(=O)CN(C)[C@@H](C(N)=O)c2cccc(F)c2)o1 79354125 LOBHGGCFNAUYJU-QGZVFWFLSA-N 347.390 1.844 0 40 EDAB CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 78978955 OXBOEXWFTJBEFP-VIFPVBQESA-N 345.321 1.981 0 40 EDAB Cc1cc(Nc2ccccn2)nc([C@H]2CCN(S(C)(=O)=O)C2)n1 72382474 LVVPERAQTBEILL-LBPRGKRZSA-N 333.417 1.673 0 40 EDAB Cn1nc2c(c1CNS(=O)(=O)c1ccc3c(c1)OCCO3)CCC2 225818869 GIYIBQCCMJZLPF-UHFFFAOYSA-N 349.412 1.159 0 40 EDAB CO[C@@H](C(=O)N1CCC(c2ccnn2CCO)CC1)c1ccccc1 89543235 FDQLFDFRLQKDQO-GOSISDBHSA-N 343.427 1.969 0 40 EDAB CC(=O)Nc1ncc(S(=O)(=O)NCCc2ccncc2)s1 223810292 NHRAGQYQYBXIFY-UHFFFAOYSA-N 326.403 1.018 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(C(=O)O)oc2CC)C1 576998872 OQTRVLUIRNTZHU-LLVKDONJSA-N 330.406 1.054 0 40 EDAB O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(CC4CC4)C3)N2C1 514289473 LVAPAYXTGNFTNK-WOJBJXKFSA-N 341.499 1.444 0 40 EDAB biogenic,in-vitro CO[C@@H](C)[C@H](C)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 192208752 ZPGSVKXMROHTRG-GJZGRUSLSA-N 326.485 1.079 0 40 EDAB Cc1csc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 96420635 RFJMNZBCNKUQLF-OAHLLOKOSA-N 331.441 1.969 0 40 EDAB COC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1ncccn1 96068242 ZDUZQGJNQVVYIW-MRXNPFEDSA-N 343.431 1.850 0 40 EDAB Cc1ncccc1NC(=O)[C@H]1COC[C@H]2CN(C3CCOCC3)C[C@H]21 96065247 MZQBLXIPNCFDLV-OIISXLGYSA-N 345.443 1.702 0 40 EDAB COc1cc(N2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)ncn1 96065885 ZMASLRNTZMCJDN-RLFYNMQTSA-N 342.399 1.833 0 40 EDAB CN1CCC(Cn2c3c(ccc2=O)C[C@H](N[C@H]2CCOC2)CC3)CC1 96189775 YBUAQOZLFRNWJO-MSOLQXFVSA-N 345.487 1.426 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)CCOc2ccc(F)cc2Cl)CCO1 583650653 YXZLNIRHHZHFFJ-LBPRGKRZSA-N 331.727 1.560 0 40 EDAB CO[C@H]1C[C@@H](C(=O)NC2(c3noc(C4CC4)n3)CCCC2)N(C)C1 583620467 ZRFOHVFJIKLWMB-STQMWFEESA-N 334.420 1.552 0 40 EDAB C[C@]1(C(=O)NCCN2CCOCC2)CC(c2cccc(F)c2)=NO1 96192986 YKMQSABEWROXBN-QGZVFWFLSA-N 335.379 1.157 0 40 EDAB C[C@H](NC(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1)c1cncc(F)c1 332832695 GKLWTUDEMCFPFS-DVOMOZLQSA-N 336.411 1.644 0 40 EDAB CN(C)C1(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CCC1 96494424 ORZGARWZWJWYQG-QGZVFWFLSA-N 343.471 1.821 0 40 EDAB C[C@@](O)(CNC(=O)c1cccnc1-n1cccn1)c1cccs1 96450332 VLAHFTVLADBWEP-MRXNPFEDSA-N 328.397 1.966 0 40 EDAB C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1ccoc1CC(N)=O 585082021 QWCPXOHUPMTXNT-GFCCVEGCSA-N 345.374 1.797 0 40 EDAB Cn1cc(C(=O)N2CC3(C2)OCC[C@@H]3CCOc2ccccn2)cn1 248121748 KJANAWUITWWZHJ-HNNXBMFYSA-N 342.399 1.515 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 247320392 LNWHWLLYXMHVQU-LLVKDONJSA-N 326.443 1.513 0 40 EDAB O=S1(=O)CCC[C@H]1CN1CCN(CCCc2ccccc2)CC1 585133249 CCPCJXQGCNXXLA-SFHVURJKSA-N 336.501 1.814 0 40 EDAB CN1C[C@]2(C)CN(S(=O)(=O)c3cnc(Cl)n3C)C[C@@]2(C)C1 585134761 JFSHKDZVDOKWSO-CHWSQXEVSA-N 332.857 1.036 0 40 EDAB CN(C)C[C@@]1(O)CCCN(C(=O)Nc2cccnc2N2CCCC2)C1 585137361 UQAPACWSMMRDAT-SFHVURJKSA-N 347.463 1.602 0 40 EDAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)[C@H]1CCOC1 244950794 FLVNYSNINAEYOS-JTQLQIEISA-N 329.385 1.506 0 40 EDAB O=C(O)c1ccc(O[C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2O)cc1 257282321 OTHKVJXKWIEUOJ-HZPDHXFCSA-N 345.326 1.788 0 40 EDAB NC(=O)[C@@H]1CN(CCCc2ccccc2)CCN(C2CCOCC2)C1 257272558 NCWGCIWSCIUXFB-GOSISDBHSA-N 345.487 1.517 0 40 EDAB CN(C)c1cc([C@H]2CCCN2C(=O)c2cc(O)nc(O)n2)ccn1 257271843 MZZQVIFSFYHBAN-GFCCVEGCSA-N 329.360 1.326 0 40 EDAB CCc1cc(C(=O)NCc2cncc([C@@H]3CCCN3C(C)=O)n2)on1 257340706 ZHGBKLHAROMCHZ-HNNXBMFYSA-N 343.387 1.640 0 40 EDAB CCCC[C@@H]1Oc2ccc(S(=O)(=O)N(C)CCO)cc2NC1=O 252494682 OBQBKFNCKXDMMR-AWEZNQCLSA-N 342.417 1.189 0 40 EDAB COc1ccc(CNC(=O)N[C@H]2CCn3nccc3C2)cc1OC 253473591 WPOJCBMUKDVLHQ-ZDUSSCGKSA-N 330.388 1.715 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](Cc3cnc(N)cn3)CC2)n1 257270493 MULWUMFKCFCTMA-OAHLLOKOSA-N 342.447 1.744 0 40 EDAB O=C(c1cc(-n2cccn2)ccn1)N1CCN(c2ncccn2)CC1 85472888 XOFYPNLEHMOUAY-UHFFFAOYSA-N 335.371 1.020 0 40 EDAB Cc1cncc(C(=O)NCc2nccnc2C2CCN(C)CC2)c1 257246546 IUQHMAFGXXUOLR-UHFFFAOYSA-N 325.416 1.919 0 40 EDAB CN(C)C(=O)CN1CCC(c2nccnc2Nc2cnccn2)CC1 257325036 WRENNPRVTWERPK-UHFFFAOYSA-N 341.419 1.278 0 40 EDAB CCn1nccc1-c1cc(C[C@@H]2CCN(S(C)(=O)=O)C2)ncn1 257210978 BWXWSTKFYAFASS-LBPRGKRZSA-N 335.433 1.184 0 40 EDAB O=C(c1c[nH]cn1)N1CCOC[C@H](Cc2nccn3cccc23)C1 257249640 JJEIXFFJTWMIAL-CYBMUJFWSA-N 325.372 1.389 0 40 EDAB COc1ncc(CN2CCC[C@H]2c2nc(C)ncc2CN(C)C)cn1 257301771 RZWNXPMINCAUNM-INIZCTEOSA-N 342.447 1.982 0 40 EDAB Cc1cnn(CC(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)c1 257319500 VSVPIDMXIPWJGJ-SJLPKXTDSA-N 329.400 1.622 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1cn(C)cn1 257247037 IXCXKHGUJBRUGO-KRWDZBQOSA-N 347.394 1.058 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cc2ccccc2)nc1 257320746 VYKKBVONHSKQTF-INIZCTEOSA-N 330.409 1.589 0 40 EDAB COc1ccc([C@H]2CN(C(=O)CCN3CCOCC3)CCN2C)cc1 257217904 DBBHLWZYFMOYCL-GOSISDBHSA-N 347.459 1.233 0 40 EDAB CCN(CC)S(=O)(=O)N1CCOC[C@H]1CCc1nccnc1C 257287692 PRCUAFRYTZDWRQ-CQSZACIVSA-N 342.465 1.005 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)CC2CC2)C1 257260928 LFBYUTONQNICKY-GFCCVEGCSA-N 325.434 1.394 0 40 EDAB C[C@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)c1cc(C(=O)O)ccc1F 1604690838 BFKMOYZUCBUMCU-WPRPVWTQSA-N 345.348 1.398 0 40 EDAB COc1ccc([C@H](NC(=O)c2cnn3c2CCCC3)C(=O)O)cc1F 263038122 NDCFYJJWSCAJGH-HNNXBMFYSA-N 347.346 1.923 0 40 EDAB O=C(O)c1cc(S(=O)(=O)N[C@H]2COc3ccc(F)cc3C2)c[nH]1 1608860772 YZNSKMYQDXEZFM-SNVBAGLBSA-N 340.332 1.134 0 40 EDAB Cn1cc(N2CC[C@@H](N3CCC(F)(c4ccccn4)CC3)C2=O)cn1 289377402 PQVQPFAUTIXATB-OAHLLOKOSA-N 343.406 1.881 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)NCC[C@@H](O)c2ccoc2)cc1 90613259 KVIWZSHRHBFAQP-CQSZACIVSA-N 346.339 1.245 0 40 EDAB CC(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2[C@@H]3CNC[C@@H]32)c1 1615049890 ATKBSBHVFHGFTP-IMRBUKKESA-N 342.848 1.470 0 40 EDAB CN(C)c1cc(C(=O)N2CCOC[C@@]23CCOC3)nc2ccccc12 291476007 MEIQIQRXLMYKAW-IBGZPJMESA-N 341.411 1.932 0 40 EDAB CNC(=O)C[C@@H]1CN(Cc2cccnc2OC)Cc2cccn2C1 585099222 WALRYTIUNRDZAJ-CQSZACIVSA-N 328.416 1.660 0 40 EDAB COc1cc(-c2cnc3n2CCN(C(=O)[C@@H]2C[C@@H]2C)CC3)ccn1 585111095 DELIARZNRAQQRT-GXTWGEPZSA-N 326.400 1.994 0 40 EDAB O=C(NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O)c1ccnc(O)c1 585283671 CSLKOQYPIRPCNI-SRCQZFHVSA-N 346.358 1.875 0 40 EDAB CN1C[C@H](COCc2ccncc2)CC12CN(c1ncc(F)cn1)C2 585093727 APRPCZXGPCDEAA-OAHLLOKOSA-N 343.406 1.738 0 40 EDAB Cc1n[nH]cc1CN1CCOC[C@](O)(COc2cccc(F)c2)C1 585278104 ZSWFAFOQWHQGHL-KRWDZBQOSA-N 335.379 1.500 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2cccc(C)c2)Cc2ccnn21 585112757 VBGAZFUKKANUPL-QGZVFWFLSA-N 348.472 1.688 0 40 EDAB Cn1cnc2c1C[C@@H](CN1CCOCC1)N(C(=O)C1=CCCC1)C2 585094909 TZGAFJQLRPJLNC-HNNXBMFYSA-N 330.432 1.116 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)NCCCc1ccc(Cl)cc1 69699507 BZPMLRNMGQIJTR-UHFFFAOYSA-N 344.864 1.119 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)NC[C@](C)(O)c1ccc(F)cc1F 69703359 DKIJWKLZUXULJO-BMIGLBTASA-N 349.399 1.502 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@@](O)(c2cccs2)C2CC2)c1 96025759 HQHRMAUOWQNUTQ-ZDUSSCGKSA-N 327.431 1.058 0 40 EDAB CN1C(=O)N[C@](C)([C@H]2CCCN(Cc3noc(C4CC4)n3)C2)C1=O 76058917 RMUVSJXGJHRBNO-MEDUHNTESA-N 333.392 1.099 0 40 EDAB OCCn1ncc2c(NCc3cccnc3-n3cccn3)ncnc21 97200001 CRWFGJIAYZUCFY-UHFFFAOYSA-N 336.359 1.011 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCN1CCC(=O)N1CCOCC1 71897368 DEMVNYIVPANYDV-QGZVFWFLSA-N 331.460 1.442 0 40 EDAB CCCCN(CC)C(=O)C(=O)[C@H]1C(=O)Nc2ccccc2[S@@]1=O 5783489 KEQJNJMTNXUPGE-LFVRLGFBSA-N 336.413 1.333 0 40 EDAB Nn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1C(F)(F)F 5993353 APIYVSHFTPGBRC-UHFFFAOYSA-N 342.306 1.540 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CN1CCCCCC1=O 11875385 UIADUMPBRVUXFH-AWEZNQCLSA-N 344.411 1.910 0 40 EDAB Cc1nccn1CC1(O)CCN(C(=O)COc2cccc(F)c2)CC1 12221650 BIJCDERMNXLACE-UHFFFAOYSA-N 347.390 1.763 0 40 EDAB COCC(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12254429 DQZHSGOMGGBNMH-UHFFFAOYSA-N 327.384 1.686 0 40 EDAB CCn1ccnc1N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 13693651 HISITAGGZWDLTP-UHFFFAOYSA-N 344.415 1.883 0 40 EDAB CN1CCCN(C(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 162062731 IQRGOMMAPKYWJO-UHFFFAOYSA-N 343.349 1.894 0 40 EDAB COC(=O)[C@H]1CCc2nnc(-c3cc(Br)cn3C)n2C1 601043779 BIKDLHBFKVUXAA-QMMMGPOBSA-N 339.193 1.782 0 40 EDAB CN(C)c1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)nn1 1888854125 XDMPNGWOUDGKPE-UHFFFAOYSA-N 325.420 1.537 0 40 EDAB Cc1cc(C)nc(N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)n1 1888854201 IGOLAOKJQCUZBI-CHWSQXEVSA-N 344.394 1.609 0 40 EDAB CCc1c(C)ncnc1N1CCN(c2ccc3nnc(C)n3n2)CC1 1888866356 JYSWYYWVGPDVPX-UHFFFAOYSA-N 338.419 1.420 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(c2ncnc3cnccc23)C1)C1CC1 1888876354 NPYNSSZZQWJAHM-LLVKDONJSA-N 333.417 1.075 0 40 EDAB c1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)nc1 1889108786 LSQHTKBPGBFPGI-UHFFFAOYSA-N 340.431 1.030 0 40 EDAB Cc1cc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C(C)C 17635021 XDZKOPPFELQPPQ-ZDUSSCGKSA-N 325.430 1.801 0 40 EDAB Cc1ccccc1C(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238875045 NVIHVFJZPKHXLP-UHFFFAOYSA-N 348.428 1.255 0 40 EDAB Cn1cnc(CN2CCC3(CC2)CC(=O)NCc2ccccc2N3)c1 2037978431 VVYWDRCAFINPOJ-UHFFFAOYSA-N 339.443 1.887 0 40 EDAB CCCc1cnc2c(c1SCCOCC)c(=O)n(C)c(=O)n2C 10216680 DRHRWJUEMYTYEE-UHFFFAOYSA-N 337.445 1.713 0 40 EDAB c1cncc(CN[C@@H]2CCc3onc(CN4CCOCC4)c3C2)c1 2055734567 KDYAZPURIDPHRK-OAHLLOKOSA-N 328.416 1.549 0 40 EDAB O=C(C1CC1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055773021 LCROGBVFLSWNFZ-UHFFFAOYSA-N 344.337 1.289 0 40 EDAB Cn1cnc2ncnc(N3C[C@H]4CN(c5ncccc5F)C[C@H]4C3)c21 2086865307 IIAVXEMYNGDBRC-TXEJJXNPSA-N 339.378 1.470 0 40 EDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1ccc3[nH]ccc3c1)C2 225666183 JMECHGJGHXXPLW-GJZGRUSLSA-N 347.440 1.853 0 40 EDAB Cc1cc2ncc3c(n2n1)CC[C@@H](NC(=O)c1ccncc1F)C3 618256731 LUDCIRRQHUFHCX-GFCCVEGCSA-N 325.347 1.859 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1cccc(OC[C@@H]2CCCO2)c1 40489879 HGEZYMXDPDDAQK-HNNXBMFYSA-N 342.399 1.712 0 40 EDAB COc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cn2)cc1 40489730 SFTZDNCYSOABNN-UHFFFAOYSA-N 343.383 1.944 0 40 EDAB C[C@H]1COCCN1Cc1nc(CC(=O)NCc2ccccc2)no1 40513794 YQVSFRNYKQPBBW-ZDUSSCGKSA-N 330.388 1.149 0 40 EDAB C[C@@H](CNC(=O)c1cc(C2CC2)nn1C(C)(C)C)N1CCOCC1 40540311 CXHUFDCTXVFYEP-ZDUSSCGKSA-N 334.464 1.966 0 40 EDAB N=c1c2c(ncn1CCO)Oc1cc(O)ccc1[C@H]2c1ccco1 101362629 ACLOIWVOEPXTTM-AWEZNQCLSA-N 325.324 1.939 0 40 EDAB CN1C(=O)c2ccc(C(=O)Nc3ccc(-n4cccn4)nc3)cc2C1=O 32754774 ZDSSXUDNYLBAGN-UHFFFAOYSA-N 347.334 1.745 0 40 EDAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC(=O)O)ccc12 487681 QMDDKAOEIYXBGV-SNVBAGLBSA-N 333.340 1.714 0 40 EDAB biogenic CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccncc2)n2ncnc2N1 93386 POYQMHDCPAWSMD-HNNXBMFYSA-N 333.355 1.996 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 105722 GNZSKUKJKSYDSJ-UHFFFAOYSA-N 330.340 1.707 0 40 EDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 415547 SFYCSARQYJUMQI-UHFFFAOYSA-N 346.474 1.548 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2Cn2cccn2)CN1Cc1ccco1 71866426 IICVEJPCQBANIL-HUUCEWRRSA-N 342.399 1.516 0 40 EDAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)c1ccccc1 12252235 LLKUVAQOOVPZNH-KXBFYZLASA-N 338.363 1.950 0 40 EDAB C[C@@H](NC(=O)N1CCC(CO)CC1)c1ccc2c(c1)NC(=O)CO2 46974663 XQAOCLLAQWGXTJ-LLVKDONJSA-N 333.388 1.492 0 40 EDAB Cc1cc(C(=O)NCCCN(C)S(C)(=O)=O)c(C)n1C(C)C 41422580 FQUMWENUGUMLIC-UHFFFAOYSA-N 329.466 1.697 0 40 EDAB CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)CCO1 46974617 LGUANQRANREZQP-WCQYABFASA-N 333.388 1.899 0 40 EDAB CC(C)c1nc(CN(C)[C@@H]2CCN(Cc3ccn(C)c(=O)c3)C2)no1 78891623 HLORABAHXKDDQY-OAHLLOKOSA-N 345.447 1.598 0 40 EDAB O=C(Nc1ccccc1)N[C@H]1OC(=O)C(N2CCOCC2)=C1Cl 3172087 INZIVESOXRWUSO-ZDUSSCGKSA-N 337.763 1.474 0 40 EDAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCOCC1 12389862 DGQJYEAQUZIYBV-UHFFFAOYSA-N 331.368 1.901 0 40 EDAB CCCn1c(=O)n(CC(=O)Nc2ncccc2O)c2ccccc21 22265074 YQLBBVYCRJPJTQ-UHFFFAOYSA-N 326.356 1.952 0 40 EDAB CCNC(=S)N(CCO)Cc1cc2cc(OC)ccc2[nH]c1=O 4133204 IZGOMTHYFSZTPK-UHFFFAOYSA-N 335.429 1.225 0 40 EDAB CCc1nc(COC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cs1 71884498 ZOHKAKJGDHPQHK-JTQLQIEISA-N 332.447 1.420 0 40 EDAB CN1CCN(CCNC(=O)CCSc2ccc(F)cc2)CC1 42003003 NKPCZRNVVSMGPK-UHFFFAOYSA-N 325.453 1.672 0 40 EDAB CCCNC(=O)NC(=O)CN1CCCN(CC2CCCCC2)CC1 54318322 CBAYDVGTHVDIMV-UHFFFAOYSA-N 338.496 1.810 0 40 EDAB Cc1noc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)n1 42569426 IIAYOLKXNBCNPT-UHFFFAOYSA-N 342.446 1.382 0 40 EDAB O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc[nH]c1=O 54589825 MBGUQXAHJFZQFQ-UHFFFAOYSA-N 334.379 1.979 0 40 EDAB COCc1ccc(C(=O)N2CCN(c3nccc(OC)n3)CC2)cc1 47693844 ONHYTVMVMJMZKK-UHFFFAOYSA-N 342.399 1.594 0 40 EDAB COc1ccc(C(=O)NC(=O)COC(=O)c2ccc(F)cc2N)cc1 9738772 QDLIWUDHTSQGBG-UHFFFAOYSA-N 346.314 1.530 0 40 EDAB CCc1ccc(N2C[C@H](C(=O)NC[C@@]3(O)CCSC3)CC2=O)cc1 72310450 SOVROQOVUQWJIQ-KDOFPFPSSA-N 348.468 1.586 0 40 EDAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCc2cn[nH]n2)c1 72314440 MAIHYVSWJUXKOC-UHFFFAOYSA-N 344.375 1.513 0 40 EDAB COc1cccc(CCC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1 25460251 FFTAYJKITJCICJ-UHFFFAOYSA-N 347.459 1.297 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1C[C@@H]2[C@H](CCCN2c2nnnn2C)C1 107576264 WVWKWZOPENWMPA-RAIGVLPGSA-N 344.423 1.132 0 40 EDAB Cc1ccc2cccc(S(=O)(=O)N3CC[C@H]4CCOC(=O)[C@H]43)c2n1 107540127 VSVBBZJHGVUSOO-BBRMVZONSA-N 346.408 1.869 0 40 EDAB CCCN(CCC)C(=O)Cn1c(=O)n(CC)c(=O)c2sccc21 57478699 IDZVTKKWZQTABI-UHFFFAOYSA-N 337.445 1.893 0 40 EDAB Cn1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1=O 44610820 RATBZVKWLJTAKE-KRWDZBQOSA-N 341.411 1.189 0 40 EDAB O=C1COc2cc(C(=O)NCCc3cn4ccccc4n3)ccc2N1 12669861 PPFWQZXBYRPSGF-UHFFFAOYSA-N 336.351 1.638 0 40 EDAB CN(C)CCCN[C@H](C(=O)O)c1cn(CC(=O)O)c2ccccc12 104897308 GUSFBEUMRFFXFH-INIZCTEOSA-N 333.388 1.393 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O 10198447 YPHKROGAINOYEY-AAEUAGOBSA-N 349.822 1.777 0 40 EDAB COc1ccc(NC(=O)CN(C)C(=O)Cc2c(C)nn(C)c2C)cc1 10135793 HJZBRNJOPAETSJ-UHFFFAOYSA-N 344.415 1.685 0 40 EDAB Cc1cccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)c1 58264864 HMKMFGUFGFLQBR-CYBMUJFWSA-N 342.486 1.973 0 40 EDAB NC(=O)CN1CCC(NC(=O)N[C@H]2CCSc3ccccc32)CC1 44910182 JXSGUPWJPMMSSS-AWEZNQCLSA-N 348.472 1.472 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)N3CCc4ccccc43)nn12 3364815 OHGTVOYEJNEKLM-UHFFFAOYSA-N 337.339 1.179 0 40 EDAB CCCN(CC(=O)OC)S(=O)(=O)c1cnn(-c2ccccc2)c1 58331626 NRECZGIBKQLVJT-UHFFFAOYSA-N 337.401 1.446 0 40 EDAB O=C(c1ccc(Cn2cc(Br)cn2)o1)N1CCOCC1 27980783 OTUBYEJHEGXLAC-UHFFFAOYSA-N 340.177 1.759 0 40 EDAB CON(C)C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 45776341 SVOOJNJHAIXFFA-UHFFFAOYSA-N 331.298 1.712 0 40 EDAB Nn1c(SCC(=O)Nc2cccc(F)c2)nc2ccccc2c1=O 11520109 TVNARKLSKBTLJQ-UHFFFAOYSA-N 344.371 1.980 0 40 EDAB CN1CCN(c2cc(CNC(=O)Nc3nccs3)ccn2)CC1 45845894 MYRUPSGMZCLKJO-UHFFFAOYSA-N 332.433 1.612 0 40 EDAB CC(C)CCOC[C@@H](O)CNCCNC[C@H](O)COCCC(C)C 22584270 OXAYASBURPDVLO-ROUUACIJSA-N 348.528 1.013 0 40 EDAB COC(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 3559094 IDUZKQLFZZNRTP-UHFFFAOYSA-N 337.335 1.822 0 40 EDAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nccs2)cc1 12903407 DTLAUMXHKVKFJN-UHFFFAOYSA-N 325.415 1.487 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N1CCCCC1 3600868 NBXSXZQFQHXXQB-IBGZPJMESA-N 341.411 1.783 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C(=O)N3c4ccccc4[C@@H]4OCC[C@@H]4[C@H]3[C@]23C=C[C@H]1O3 4044189 ADBRMMHYTJFVFR-UPQMZCQWSA-N 339.347 1.517 0 40 EDAB biogenic CNS(=O)(=O)Cc1cccc(CNC(=O)CCc2ccccc2)c1 64535841 XEYJQLKMUYQGCL-UHFFFAOYSA-N 346.452 1.985 0 40 EDAB CCOc1cc(C(=O)N2CCO[C@H](c3nc(CC)n[nH]3)C2)ccn1 83830025 SSXHQZJDFCBGKB-LBPRGKRZSA-N 331.376 1.375 0 40 EDAB CCOC(=O)/C=C/C(=O)OCc1nc(-c2cccc(OC)c2)no1 6011428 RVSOIQZEJHGTMD-BQYQJAHWSA-N 332.312 1.908 0 40 EDAB COC(=O)c1ccnc(NS(=O)(=O)c2ccc(OC)c(C)c2)c1 71913793 OWEQZXGFPXQCNX-UHFFFAOYSA-N 336.369 1.986 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)NCCN2CCCCCC2=O)c1 65439908 QHURECNDXMMIPD-UHFFFAOYSA-N 340.401 1.066 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2cccc3cccnc23)CC1 14112506 AUHCIEHNDPHBCH-UHFFFAOYSA-N 333.413 1.845 0 40 EDAB O=C1CCC(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)=NN1 65608182 FPCWHYIGCMHHFR-HNNXBMFYSA-N 348.834 1.859 0 40 EDAB Cc1ccc(C(=O)Nc2nc[nH]n2)cc1I 6946109 YSSRJQIIMASREO-UHFFFAOYSA-N 328.113 1.970 0 40 EDAB Cc1cc(F)ccc1NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 67559100 JGJDOXRQXNXQCF-LBPRGKRZSA-N 329.397 1.680 0 40 EDAB CCOC(=O)c1ccc(NC(=O)CN(C)CC(=O)N(CC)CC)cc1 7591121 IUUXBIJYCINSAO-UHFFFAOYSA-N 349.431 1.602 0 40 EDAB O=C(OCC(=O)N1CCNC1=O)c1cc(Br)ccc1F 7690436 YDPVWCPDSSINHH-UHFFFAOYSA-N 345.124 1.297 0 40 EDAB CCOCC(=O)OCc1cc(=O)n2cc(Br)ccc2n1 7606080 OJJRXYQSHYNXIL-UHFFFAOYSA-N 341.161 1.537 0 40 EDAB CC(C)(C)SCC(=O)N1CCC(C(=O)N2CCOCC2)CC1 68781691 ZXQKQJRYDLTGFX-UHFFFAOYSA-N 328.478 1.616 0 40 EDAB NS(=O)(=O)c1ccc(N2CCN(Cc3ccco3)CC2)c(F)c1 69150359 AAQMPHBHHWCASC-UHFFFAOYSA-N 339.392 1.388 0 40 EDAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)Cc1ccc(F)cc1F 71795970 MEZQXGMCZGDOIR-NSHDSACASA-N 339.386 1.509 0 40 EDAB Nc1cc2c(nn1)CCN(C(=O)Cn1c(C3CC3)nc3ccccc31)C2 70007556 UIKLIKRQHFUKTA-UHFFFAOYSA-N 348.410 1.871 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)CN1CCO[C@H](Cn2cccn2)C1 69391835 PKCSAYZTHOSQBJ-KRWDZBQOSA-N 346.406 1.382 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)N[C@H]1COc2ccccc21 69351515 FYRHVZKQFIYCNY-AWEZNQCLSA-N 332.306 1.945 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)CCCN1C(=O)c2ccccc2C1=O 69558077 WUYHLLMTPCAMQB-CYBMUJFWSA-N 340.383 1.464 0 40 EDAB O=C(COc1ccccc1P(=O)(O)O)N1CCCc2ccccc21 9575408 BYSQONMGBYCQIX-UHFFFAOYSA-N 347.307 1.848 0 40 EDAB COc1ccccc1CNC(=O)[C@@H](C)N1CCn2c(C)nnc2C1 69779884 IRGZSBRFGMFCSR-GFCCVEGCSA-N 329.404 1.116 0 40 EDAB CCOc1cccc([C@@H](C)NC[C@H]2CNc3c(C(N)=O)cnn3C2)c1 69739537 FWDJQPDFZNMEMR-OLZOCXBDSA-N 343.431 1.773 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC[C@@H]1CN1CCOCC1 69777727 HWVWEPVVLDULFA-KZNAEPCWSA-N 337.508 1.868 0 40 EDAB COCC[C@@H](NC(C)=O)C(=O)N1CCC[C@@H]1Cn1nc(C)cc1C 69966831 USUSDIDTUHTCAV-HZPDHXFCSA-N 336.436 1.032 0 40 EDAB O=c1cc(CN[C@@H]2CCCN(c3cccnn3)C2)nc2ccccn12 69902253 SQGZGRBXKUIQKR-CQSZACIVSA-N 336.399 1.243 0 40 EDAB O=C(c1nc(N2CCCC2)ncc1Cl)N1CCCn2ncnc21 71826661 QDQRZHRKZZZKNT-UHFFFAOYSA-N 333.783 1.372 0 40 EDAB O=C(CS(=O)(=O)CCCOCC(F)(F)F)NC1CCCC1 97212271 QDRVUPYTDZYOQW-UHFFFAOYSA-N 331.356 1.429 0 40 EDAB NC(=O)N1CC[C@@H](NC(=O)c2csc(Cc3cccc(F)c3)n2)C1 97236548 UPCVEZJDGCWUIF-GFCCVEGCSA-N 348.403 1.756 0 40 EDAB O=C1[C@@H]2CCCN2C(=O)N1Cc1ccnc(OC2CCOCC2)c1 97232366 YAXRVHYGIIYASV-AWEZNQCLSA-N 331.372 1.566 0 40 EDAB O=C(CNC(=O)c1ccc(Br)cc1)N[C@@H]1CCC[C@H]1O 97096107 OIXMPKOPOZQMFK-VXGBXAGGSA-N 341.205 1.209 0 40 EDAB CNC(=O)[C@H](Cc1ccccc1)NC[C@H]1COc2ccccc2O1 97085746 QCXRFKXYOVHBPS-HOTGVXAUSA-N 326.396 1.773 0 40 EDAB C[C@H](NC1CCN(c2nccs2)CC1)C(=O)NCc1ccco1 97081095 YCLLFGKFQBEOGE-LBPRGKRZSA-N 334.445 1.999 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 25373601 ZMKSVJLFUHWTPQ-MRXNPFEDSA-N 342.461 1.330 0 40 EDAB COc1cccc(COCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 72269242 WHPDZANTDNTNNB-MSOLQXFVSA-N 348.443 1.269 0 40 EDAB O=C(NCc1ccccc1)[C@@H]1CSCN1C(=O)Cc1cccnc1 95394672 BQRMJJFJYFPKKC-INIZCTEOSA-N 341.436 1.842 0 40 EDAB C[C@H](CO)NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C 84640279 LKPVHJOTJNJWIH-GFCCVEGCSA-N 344.415 1.741 0 40 EDAB CCn1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)cn1 95440520 LLUPPUBLWRGCMC-ZBFHGGJFSA-N 330.363 1.744 0 40 EDAB COc1ccc([C@H](CNc2cc(OC)ncn2)N2CCOCC2)cc1 95971332 UAXYMUQOIRNPRC-INIZCTEOSA-N 344.415 1.979 0 40 EDAB C[C@@H](NC(=O)CN[C@H](C)c1ccc(F)c(Cl)c1)C(=O)N(C)C 95984572 JESDOIAXXJSPKF-NXEZZACHSA-N 329.803 1.723 0 40 EDAB C[C@@H](C1CC1)N(C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)C1CC1 95949023 DIUMIGIHNSYVHJ-JTQLQIEISA-N 329.404 1.379 0 40 EDAB CCNS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 95959988 RIBLCXXVRIIAOH-VHSXEESVSA-N 332.372 1.124 0 40 EDAB C[C@@H](NC(=O)C(=O)Nc1cccnc1)c1nc(C2CCCC2)no1 95964039 OZHRMWJXNXUGGO-SNVBAGLBSA-N 329.360 1.938 0 40 EDAB Cn1cnc2cc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C3)cnc21 95997702 RWAAQELDTDKJPN-LBPRGKRZSA-N 345.403 1.708 0 40 EDAB CCc1cnc(CCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)s1 89289644 JLVWQRYHXXRKQB-OLZOCXBDSA-N 336.461 1.701 0 40 EDAB CN(c1ccc2ccccc2n1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 75145703 QVBWXACSADCNPA-UHFFFAOYSA-N 344.396 1.497 0 40 EDAB CCCn1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc1=O 89960615 JNMBZUKHGLIRDK-AWEZNQCLSA-N 329.356 1.079 0 40 EDAB NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Nc1cccc(OCC(F)(F)F)c1 75572591 GQJUUWPITQDPOF-ONGXEEELSA-N 347.293 1.080 0 40 EDAB Cc1ccc(-c2ccc(=O)n([C@H]3CCN(CC(=O)O)C3=O)n2)s1 1548451847 KNUIYTXZZAAILF-NSHDSACASA-N 333.369 1.138 0 40 EDAB C[C@H]1CCS(=O)(=O)CCN1C(=O)NCc1cccc2c1OCC2 1548453372 QYZVPDQASYLBFF-LBPRGKRZSA-N 338.429 1.340 0 40 EDAB CCCn1ccc(C(=O)NCCn2cc(Br)cn2)n1 28246637 CEPSYJAPCRIVME-UHFFFAOYSA-N 326.198 1.682 0 40 EDAB O=C(C1CC1)N1C[C@@H]2[C@@H](OCc3ccccc3)CCS(=O)(=O)[C@H]2C1 306125143 CIARAKSMAUKGMO-IKGGRYGDSA-N 349.452 1.627 0 40 EDAB Cn1cc(CCC(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)cn1 516100392 OBFBKKRTNTWNQR-AWEZNQCLSA-N 339.403 1.108 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)N1C[C@H]2CCCC[C@@H]2C1 78323713 APIVTJJAVQDQJQ-HUUCEWRRSA-N 343.431 1.718 0 40 EDAB CC(C)C[C@@H](NC(=O)Cn1c(S)nc2ccccc2c1=O)C(=O)O 669470233 PDJRBGWIARCICI-GFCCVEGCSA-N 349.412 1.301 0 40 EDAB CCN1CCN([C@H](C)CNS(=O)(=O)Cc2cccc(C)c2)CC1 189118549 ZPJPZZKPHLLTAY-MRXNPFEDSA-N 339.505 1.440 0 40 EDAB COc1cc(-c2noc([C@@H]3CC(=O)N(c4cn[nH]c4)C3)n2)ccn1 186402374 UFTDOOGZYRCOCB-SNVBAGLBSA-N 326.316 1.384 0 40 EDAB CCc1nc(=NC2CCN(CC(=O)N(CC)CC)CC2)s[nH]1 521398510 LHEIFINBSUDSTK-UHFFFAOYSA-N 325.482 1.267 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2F)s1 40123052 CZZVRSAOABVGQZ-UHFFFAOYSA-N 343.405 1.899 0 40 EDAB CCN(CC)CCNC(=O)Cn1cc(COc2cccc(C)c2)nn1 227160452 PXVNSBLYDFTXNW-UHFFFAOYSA-N 345.447 1.624 0 40 EDAB CCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)CCSC)cc1 75157632 QPCPQMXRYWNZJM-INIZCTEOSA-N 340.445 1.644 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCCn1cnc2ccsc2c1=O 225775804 FGNGPLRDPZBSIO-UHFFFAOYSA-N 331.401 1.238 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@H](C)C(C)(C)C)CC1 87133636 YUSQJGPWUQEQBY-LSDHHAIUSA-N 338.496 1.759 0 40 EDAB COc1cccc(C(=O)NCc2nccc(N3CCOCC3)n2)c1 224168240 BZCNOCJDNQIFQS-UHFFFAOYSA-N 328.372 1.252 0 40 EDAB Cc1ncc(CN2CC[C@@H](NC(=O)c3nccnc3N)[C@@H](C)C2)s1 195530704 ZZONXGMVQSCSPK-GXFFZTMASA-N 346.460 1.464 0 40 EDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)s1 223571517 ZMOJCXDXULTEBR-IVZWLZJFSA-N 344.462 1.600 0 40 EDAB Cc1cc(S(=O)(=O)Nc2nc3ncccn3n2)sc1Cl 195578551 OEOVDKACKSASQH-UHFFFAOYSA-N 329.794 1.948 0 40 EDAB CCCCNC(=O)[C@@H](C)N1CC[C@@H](c2n[nH]cc2C(=O)OCC)C1 585116423 UUQJARBZEJGWGA-CHWSQXEVSA-N 336.436 1.681 0 40 EDAB Cc1nc(S(=O)(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)cn1C 95432025 XNPJARFSVZOHPT-OAHLLOKOSA-N 336.461 1.830 0 40 EDAB Cc1cc(C)nc(-n2nccc2NC(=O)N2[C@H]3CC[C@H]2COC3)n1 333820694 IWYVJJCVUNXDIQ-STQMWFEESA-N 328.376 1.674 0 40 EDAB O=C(O)c1ccccc1C1CCN(C(=O)[C@]2(C(=O)O)CCCO2)CC1 585135045 VEQJIHCTWIGZGH-SFHVURJKSA-N 347.367 1.725 0 40 EDAB CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2N1C(C)C 96182631 RWXQZVNKQCEMAT-OAGGEKHMSA-N 345.443 1.444 0 40 EDAB Cc1nc(COC[C@]23COC[C@H]2CN(c2ncccn2)C3)cs1 96108913 IRVLUTAIMPMUEF-CJNGLKHVSA-N 332.429 1.911 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(C2=NC[C@H](C)S2)CC1 96426935 RLLPFBZFFPAXEG-LBPRGKRZSA-N 349.504 1.605 0 40 EDAB CC(C)[C@H]1CN(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)CCS1 96440619 UMHXEPRQMNGODO-LSDHHAIUSA-N 339.509 1.806 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1cc(Cl)c3c(c1)OCO3)CC2 97198928 MXUVPUJBGULBLY-JTQLQIEISA-N 334.763 1.713 0 40 EDAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)c3cccnc3)CC2)C1 96224828 NVRPESGTWGQTCO-OAHLLOKOSA-N 331.416 1.618 0 40 EDAB C[C@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2cnn(CC3CC3)c2)C1 230472921 BWTPQXWCOYJDOJ-UONOGXRCSA-N 340.493 1.692 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)OC1CCN(C(=O)OC(C)C)CC1 96405840 ZCUNHKNFGJLIHE-CQSZACIVSA-N 326.393 1.550 0 40 EDAB O=C(Cc1ccc(F)cc1)N1C[C@@H]2COC[C@]2(CN2CCOCC2)C1 96207254 OLPZFWLZHZNLSC-APWZRJJASA-N 348.418 1.175 0 40 EDAB Cc1ccc(CN2CCn3c(COCC(=O)N(C)C)cnc3[C@@H]2C)o1 96109712 SVOIXZXULMVSFC-AWEZNQCLSA-N 346.431 1.966 0 40 EDAB COc1ccc(-c2cc(C(=O)N3CCC[C@H]4CNC[C@H]43)n[nH]2)cc1 584463950 VWRHQGQNYYEWER-SUMWQHHRSA-N 326.400 1.909 0 40 EDAB O=S1(=O)CCC[C@@H](NC2CCN(Cc3ccccc3F)CC2)C1 96491576 LFRLZMCVMAHUIH-MRXNPFEDSA-N 340.464 1.957 0 40 EDAB O=C([C@@H]1CC=CCC1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124292 KZAFBVREMVYIKK-CQSZACIVSA-N 339.403 1.062 0 40 EDAB CN(CC1CC1)S(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 585115548 GFKLOWFILLMINK-ZDUSSCGKSA-N 348.465 1.294 0 40 EDAB Cc1ccc(C(=O)N2CC3(CC[C@H](CN4CCOCC4)CO3)C2)o1 247924784 OZVIFGRRRXPPKV-OAHLLOKOSA-N 334.416 1.541 0 40 EDAB CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 241262068 LBCBIENKFZLMFH-JKSUJKDBSA-N 347.459 1.930 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1cnccn1 257306503 SUMWDLZJZUVMHT-MRXNPFEDSA-N 340.383 1.531 0 40 EDAB CC1(C)Oc2cc(O)ccc2[C@H]2O[C@H]3CCN(CC(N)=O)C[C@@H]3C[C@@H]21 257214320 CLOVQWQOMGYTKW-FGVQXAILSA-N 346.427 1.817 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CC[C@H](O)[C@]2(CCCO2)C1 257312457 UOAPTUQOVABTOC-YJBOKZPZSA-N 329.400 1.638 0 40 EDAB O=C1CO[C@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)CC[C@@H]2N1 257329184 XIVPPRVTAAOXFC-IRXDYDNUSA-N 328.412 1.685 0 40 EDAB Cc1c[nH]c([C@@H]2CCCN2C(=O)Cn2c(=O)oc3ccccc32)n1 257275739 NQRLGOGDSTYILE-ZDUSSCGKSA-N 326.356 1.990 0 40 EDAB C[C@]1(O)CN(S(=O)(=O)c2cccnc2)CC[C@@H]1Oc1ccccc1 257293472 QPNXVHDSBPGJFK-IRXDYDNUSA-N 348.424 1.675 0 40 EDAB C[C@@]1(C2CCN(CC(N)=O)CC2)CN(c2ccccc2)C(=O)CO1 257256475 KLQQLXHXYUVELB-SFHVURJKSA-N 331.416 1.006 0 40 EDAB CCn1nccc1-c1nccnc1[C@H]1CCCN(C(=O)COC)C1 257268176 MKNZSMITOVFHMH-ZDUSSCGKSA-N 329.404 1.712 0 40 EDAB O=C(Cc1cccs1)NC[C@@]1(O)CCCN(c2ccccn2)C1 257341165 ZJCCIWPGOIZOKQ-KRWDZBQOSA-N 331.441 1.833 0 40 EDAB O=C(NCCSCC(F)(F)F)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595260724 KGEQPBKWEYBAFW-LDYMZIIASA-N 342.339 1.025 0 40 EDAB COC(=O)c1cn(NC(=O)c2cc(C(C)C)[nH]n2)cc2c(O)nnc1-2 604419496 GKZIMHNGGRJZEB-UHFFFAOYSA-N 344.331 1.106 0 40 EDAB Cc1c(Br)ccc(F)c1C(=O)N[C@H](C)c1nnnn1C 1614415129 VERFXKVSBOLPED-SSDOTTSWSA-N 342.172 1.911 0 40 EDAB COc1cccn2ncc(C(=O)N3CC(C)(C)O[C@H]4COC[C@@H]43)c12 1615210276 AOICMOCBGHWTSQ-JSGCOSHPSA-N 331.372 1.361 0 40 EDAB COC(=O)c1cncc(CNS(=O)(=O)[C@H]2C[C@H]2c2ccccc2)c1 1615585363 CSRDDRFTYAWFTE-HOTGVXAUSA-N 346.408 1.844 0 40 EDAB CC[C@H](C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)C1(O)CCCCC1 1615586832 PPAMEOWGPLNNIS-ZACQAIPSSA-N 338.492 1.765 0 40 EDAB Cc1ccc([C@H](CNC(=O)[C@H]2CCCc3nnn(C)c32)N(C)C)cc1 1615586022 OXSHZFMLKOWYGD-RDJZCZTQSA-N 341.459 1.963 0 40 EDAB N[C@H]1CCN(c2cccc(CNC(=O)c3ncoc3C3CC3)n2)C1 1615550640 YNHPTZKEBXLZKK-LBPRGKRZSA-N 327.388 1.414 0 40 EDAB CCOC(=O)c1cnn2ccc(NCc3nnn(C(C)(C)C)n3)cc12 1615605542 ZBLOSDJCXZDMCQ-UHFFFAOYSA-N 343.391 1.865 0 40 EDAB COC(=O)[C@@H]1CCc2nnc(C(=O)NCc3ccc(Cl)cc3)n2C1 601044772 QWFMUTBCYLKSPA-LLVKDONJSA-N 348.790 1.597 0 40 EDAB Cn1cnc(C(=O)N2CCO[C@]3(CCC[C@H]3COCC3CC3)C2)n1 585101891 HXPYHEAPGANKDK-WMLDXEAASA-N 334.420 1.253 0 40 EDAB Cc1cnc([C@H]2CN(C(=O)CCn3nnc4ccccc43)CCO2)[nH]1 585181449 DRJVYGGGUWODNH-OAHLLOKOSA-N 340.387 1.453 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CC(n2cc(C3CC3)nn2)C1 585149148 HGTWDFDXUYYQSW-UHFFFAOYSA-N 326.385 1.857 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Cl)C1=O 66084112 TWSSUPFHEYIGLZ-OAHLLOKOSA-N 339.779 1.544 0 40 EDAB CCCCS(=O)(=O)NCC(=O)NCc1cccnc1OC(C)C 89954833 JJGXHFKCEOEBOY-UHFFFAOYSA-N 343.449 1.205 0 40 EDAB CC(C)C(=O)Nc1ccc(CNC(=O)c2ccn(C)c(=O)c2)cc1 40496730 MCTBFAPCLVXUSJ-UHFFFAOYSA-N 327.384 1.910 0 40 EDAB O=C1C[C@H](C(=O)N2CCc3nc[nH]c3C2)CN1CCc1ccccc1 1565524428 MJQNUEPCHXBSQL-HNNXBMFYSA-N 338.411 1.386 0 40 EDAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccnc3)ccc21 15323820 QDBXMFSEOJKKKB-UHFFFAOYSA-N 345.424 1.859 0 40 EDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)n2nccc2C)c1 17070886 MJTIQVJXBMERKF-LLVKDONJSA-N 337.401 1.890 0 40 EDAB COCCCNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930463 GAZWLFZDTFIGBK-UHFFFAOYSA-N 340.445 1.213 0 40 EDAB O=C(/C=C/c1cnc[nH]1)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643550962 AGYANBVWKRCZQG-ALXOUKBCSA-N 339.395 1.569 0 40 EDAB O=C(NCCCN1CCOCC1)[C@H]1CC(=O)N(C2CCCCC2)C1 23212094 DYXIDRQXNIBAGB-HNNXBMFYSA-N 337.464 1.006 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCN(C[C@H]3CNC(=O)O3)C2)c(Cl)c1 585087668 DXIXOHVNAWBOHV-NWDGAFQWSA-N 337.807 1.561 0 40 EDAB NC(=O)CCSc1nnnn1-c1ccc(OC(F)(F)F)cc1 10495395 GBWAVPLZYWMOFB-UHFFFAOYSA-N 333.295 1.528 0 40 EDAB Cc1noc(N)c1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 9455207 YPNWJVHOBWPSLT-MRVPVSSYSA-N 333.300 1.478 0 40 EDAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3cc(C)no3)ccc21 10997132 YLUXNNGLAGFGNU-SNVBAGLBSA-N 343.343 1.932 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@H]3C2)no1 1888853388 RCVVRGBWNZRDSI-KBPBESRZSA-N 339.399 1.859 0 40 EDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)C5CC=CC5)C[C@H]4C3)ncnc21 1888866305 VWIHEXINHVHXTQ-ZIAGYGMSSA-N 338.415 1.224 0 40 EDAB Cc1nnc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)o1 1888888345 XXNJPZZVSMUGJH-KBPBESRZSA-N 348.428 1.131 0 40 EDAB Cn1cnc2ncnc(N3C[C@@H]4CN(c5nccs5)C[C@H]4C3)c21 1888890742 XYNSYKOYOYGJOL-GHMZBOCLSA-N 327.417 1.392 0 40 EDAB O=C([C@@H]1CN(Cc2cccc3ccccc23)CCO1)N1CCOCC1 1889228950 GIEQUXYIUHHIDB-IBGZPJMESA-N 340.423 1.899 0 40 EDAB CON(C)C(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 14111334 UUYUSPVCSBLOOT-UHFFFAOYSA-N 325.324 1.312 0 40 EDAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1 14253694 BSMBPMYAKBWNFV-UHFFFAOYSA-N 349.412 1.298 0 40 EDAB CCn1cnc2c(N3C[C@H]4CN(c5ccncn5)C[C@@H]4C3)ncnc21 2087030038 KKGKVNJCDBPBSX-CHWSQXEVSA-N 336.403 1.209 0 40 EDAB O=C(CC1(O)CCC1)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 1565549280 TXLIMZKXQTTWPH-RYRKJORJSA-N 346.427 1.662 0 40 EDAB COc1cccc(-c2noc(C(=O)NCCCn3ccnc3)n2)c1 4629065 DRRCBTZXDOORGF-UHFFFAOYSA-N 327.344 1.762 0 40 EDAB C[C@H](O)CN[C@H](CC(=O)Nc1c(Cl)cccc1Cl)C(=O)O 5258291 BIIAVDUTJUQMEI-OIBJUYFYSA-N 335.187 1.746 0 40 EDAB CCc1nc2sc([C@H](c3ccco3)N3CCN(C)CC3)c(O)n2n1 22577981 PRGSQOFGXTWIRQ-ZDUSSCGKSA-N 347.444 1.989 0 40 EDAB Nc1nc(N)nc(COC(=O)c2cnn(-c3ccccc3Cl)c2)n1 50002044 VZICMYWXMIPGNQ-UHFFFAOYSA-N 345.750 1.232 0 40 EDAB CCOc1ncccc1CNC(=O)c1ccccc1S(C)(=O)=O 30308026 CEESIMXKDRHRPL-UHFFFAOYSA-N 334.397 1.814 0 40 EDAB CC(C)NC(=O)Nc1cccc(C(=O)NCCNc2cnccn2)c1 30881734 DJRVVYNDLASLAW-UHFFFAOYSA-N 342.403 1.848 0 40 EDAB O=S(=O)(N1CCCCCC1)N1CCN(Cc2cccnc2)CC1 40493375 RCPHHEIWNAOPMZ-UHFFFAOYSA-N 338.477 1.320 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CN1CCC[C@@H](O)C1)CC2 20941752 UQOAJKPVZIDQIV-OAHLLOKOSA-N 334.416 1.045 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cncn1-c1ccc(F)cc1 21509661 ZCKPZPZBOHOXQT-JTQLQIEISA-N 348.334 1.402 0 40 EDAB O=C1CNC(C(=O)N2CCC[C@H]2c2ccncc2)=NN1c1ccccc1 32954957 WCTXRSRZNIDOCN-INIZCTEOSA-N 349.394 1.695 0 40 EDAB CCOC(=O)c1sc2ncnc(NCCn3cncn3)c2c1C 32911809 KCLSDPPDBDWJGA-UHFFFAOYSA-N 332.389 1.880 0 40 EDAB Cc1cc(C)n(CCOC(=O)c2ccc(N3CCNC3=O)cc2)n1 52765563 DHFPGQJVTKGNIS-UHFFFAOYSA-N 328.372 1.887 0 40 EDAB COc1ccc([C@@H](C)N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1 537334 REKWHZMALYIKHA-SMOURMDQSA-N 329.352 1.623 0 40 EDAB Cn1nc(C(=O)Nn2cnc3ccccc3c2=O)c2ccccc2c1=O 8881626 GGQKVXDQIYPRHG-UHFFFAOYSA-N 347.334 1.027 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)c2ccc(CNC(C)=O)o2)no1 72299266 HQZJYFLKCBZQTN-GFCCVEGCSA-N 332.360 1.838 0 40 EDAB O=C(N[C@@H]1CC=CCC1)N1CCN(C(=O)c2ccccc2O)CC1 77641246 IRRHQEQDLTUDRP-CQSZACIVSA-N 329.400 1.968 0 40 EDAB N=C(N)Nc1ccc(S(=O)(=O)c2ccc(NC(=N)N)cc2)cc1 1653131 FHVFWIZSVVQLCS-UHFFFAOYSA-N 332.389 1.130 0 40 EDAB COCC(=O)N[C@H](C(=O)NCc1ccc(F)c(Cl)c1)C(C)C 78102455 FSKPDZONNNZHTK-AWEZNQCLSA-N 330.787 1.883 0 40 EDAB C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H](c2ccccc2)O1 72289325 QSOHOQUSBPYBFT-OCCSQVGLSA-N 345.399 1.305 0 40 EDAB CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C)N1Cc1ccco1 4264141 SXPKZYGNYZRPRR-UHFFFAOYSA-N 329.381 1.730 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCN(c2ncccn2)CC1 46831464 CNBFYUUGAHXBAO-CVEARBPZSA-N 347.463 1.904 0 40 EDAB CN1N=C(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CCC1=O 23100980 MVOIRFMZRWSPRL-CQSZACIVSA-N 331.372 1.791 0 40 EDAB O=C(Nc1ncn(Cc2ccccc2F)n1)c1nc2ncccn2n1 2808852 NBRQLVRJMGHTRU-UHFFFAOYSA-N 338.306 1.156 0 40 EDAB c1ccc(Cn2ccnc2CN2CCO[C@H](Cn3cncn3)C2)cc1 72253379 IMNYBSCVOPSQPE-KRWDZBQOSA-N 338.415 1.424 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NCCNc1ncc(Cl)cc1Cl 47162680 PMRMLEVEOJFAMZ-LBPRGKRZSA-N 345.230 1.927 0 40 EDAB O=C(CCCNC(=O)C1CC1)Nc1ncn(Cc2ccccc2)n1 54627703 ZOQHSGXRHHTEPA-UHFFFAOYSA-N 327.388 1.571 0 40 EDAB Cc1cc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)[nH]n1 54775541 WZJPOXYKJWTMCQ-UHFFFAOYSA-N 331.395 1.409 0 40 EDAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(O)nn1 24079754 OUCUUCATFXSCBT-UHFFFAOYSA-N 335.747 1.927 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc(OC)cc2)C1 57318746 YUMQITRIJVUDBV-GDBMZVCRSA-N 348.443 1.627 0 40 EDAB Cc1nn(C)cc1CN1CCC2(CC(NC(=O)c3cccnc3)C2)C1 108524424 RPWQAUBGYUDRMD-UHFFFAOYSA-N 339.443 1.908 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)CCOc2ccc(F)cc2)CC1 24876418 SCRLLGHYIRRBNG-UHFFFAOYSA-N 344.408 1.135 0 40 EDAB Cc1csc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)n1 25099138 DXWZIRCNEYRNPT-UHFFFAOYSA-N 339.442 1.388 0 40 EDAB CC[C@@H]1CCCCN1C(=O)CN(C)CC1CCN(C[C@H](C)O)CC1 106781214 LOJFWGYZHALMSJ-FUHWJXTLSA-N 339.524 1.802 0 40 EDAB CC(C)(NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)C(N)=O 57050568 OWVWMNAAMJGNSO-ZDUSSCGKSA-N 339.395 1.573 0 40 EDAB CN1CCC(NC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)CC1 44016704 VDUCGJFEHGVMRT-UHFFFAOYSA-N 341.419 1.891 0 40 EDAB O=C(NCCn1nc2ccccn2c1=O)C1(c2ccc(F)cc2)CC1 57240355 BNEZHDMMLLVRRZ-UHFFFAOYSA-N 340.358 1.483 0 40 EDAB CC(C)CNC(=O)NCC(=O)N1CCN(c2ccc(F)cc2)CC1 12523209 XEYFQTMPGHAAGG-UHFFFAOYSA-N 336.411 1.430 0 40 EDAB CC[C@]1(C)NC(=O)N(NC(=O)CN[C@@H](C)c2ccccc2F)C1=O 26872800 TXSSMCSDOUTYPM-QFYYESIMSA-N 336.367 1.228 0 40 EDAB COc1ccc(CN[C@H]2CCN(S(C)(=O)=O)C[C@H]2C)cc1F 72300590 NBYMZQHVXCEWIW-RISCZKNCSA-N 330.425 1.594 0 40 EDAB CCCc1ccc(C(=O)CN2C(=O)NC3(CCOCC3)C2=O)cc1 57947875 SMJVOASMLBSWMG-UHFFFAOYSA-N 330.384 1.923 0 40 EDAB Cc1cc(C)cc(OCCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 44669456 ZSFJEOZUQPYUEW-MRXNPFEDSA-N 325.430 1.766 0 40 EDAB COc1cccc([C@H](NC(=O)N2CCOCC2)c2nccn2C)c1 27338728 JBXFPVPQJREQCR-HNNXBMFYSA-N 330.388 1.560 0 40 EDAB O=C(CCc1nc(C2CC2)no1)Nc1cnn(C[C@H]2CCCO2)c1 84335636 MXSRFXXOUOSNKH-CYBMUJFWSA-N 331.376 1.894 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccn2)cc1C 12537212 AUYBUUOOBQGPAH-UHFFFAOYSA-N 333.413 1.958 0 40 EDAB COc1ccc(-c2ccc(=O)n(CN3CCSCC3)n2)cc1OC 72403920 SIKBESHNKQZNTL-UHFFFAOYSA-N 347.440 1.934 0 40 EDAB COCCNC(=O)NC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21 58182833 UMXIHNAJSPAZEP-MRXNPFEDSA-N 331.416 1.611 0 40 EDAB COc1cccc(N2CCN(CC(=O)NCC(F)(F)F)CC2)c1 58121294 OGYMTHXOLCPQRT-UHFFFAOYSA-N 331.338 1.496 0 40 EDAB CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCc3ccccc32)CC1 58169260 IUNJSGANMIBJGO-SFHVURJKSA-N 343.471 1.777 0 40 EDAB O=C(NC[C@@H]1CCCO1)N1CCN(Cc2cn3ccccc3n2)CC1 44890987 AKQKGPLSHMTUCB-INIZCTEOSA-N 343.431 1.341 0 40 EDAB C[C@@H](NC(=O)c1ccc(N(C)C)nc1)c1ccc2[nH]c(=O)[nH]c2c1 58245889 ZQDMCIXIURFMPS-SNVBAGLBSA-N 325.372 1.808 0 40 EDAB CC(C)c1nc(CC(=O)N2CCN(c3cnccn3)CC2)cs1 44935209 BRVVOQPZCUVIMT-UHFFFAOYSA-N 331.445 1.948 0 40 EDAB O=C(NCCc1cccnc1)c1ccc(S(=O)(=O)NC2CC2)o1 44918508 HCSXTRRANOYUSN-UHFFFAOYSA-N 335.385 1.088 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H]1CCCCNC1=O 44967984 JTGZLURJGWDEQP-ZIAGYGMSSA-N 347.415 1.527 0 40 EDAB CCN(Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1)C(C)C 58394269 LZBLFIYARNGRBT-INIZCTEOSA-N 338.473 1.834 0 40 EDAB C[C@]1(c2ccsc2)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 58341273 JZNPIKUVBQZBJK-CXAGYDPISA-N 346.408 1.955 0 40 EDAB COc1ccc(CNC(=O)C[C@H](NC(N)=O)c2cccs2)cn1 10991869 XSUWGJMGFBQHIK-NSHDSACASA-N 334.401 1.568 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)Cc1ccco1 27914251 FUXLBWSHSHHBIG-UHFFFAOYSA-N 338.385 1.273 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)NCc1ccc(F)c(Cl)c1 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CCN1C(=S)N(c2ccc3c(c2)OCO3)[C@H]2CS(=O)(=O)C[C@H]21 13720314 UQTULVTYFRDMRQ-MNOVXSKESA-N 340.426 1.008 0 40 EDAB O=C(Cc1csc(-c2ncccn2)n1)N[C@@H]1CCc2nccn2C1 65465670 SNDJMYYGJIBJDP-LLVKDONJSA-N 340.412 1.470 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CCO1 65577069 LLDRLDKHMXAETK-CQSZACIVSA-N 338.429 1.260 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cn2)cc1 65553758 PSNOXYFCGXCXRG-UHFFFAOYSA-N 349.412 1.658 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 65585750 YQSCUWATQDQWSQ-NSHDSACASA-N 329.397 1.619 0 40 EDAB CC(C)[C@H](CNCc1c[nH]nc1-c1cccnc1)N1CCOCC1 65549576 WUUQLNZYGLBYSW-KRWDZBQOSA-N 329.448 1.918 0 40 EDAB CCS(=O)(=O)Nc1ccccc1C(=O)N[C@H](C)[C@@H]1CCCO1 65625691 VRWYUULBRHGAKD-RISCZKNCSA-N 326.418 1.746 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCC(C)(C)c1ccc2c(c1)OCO2 65607339 INFCUWHDVDAKRW-TZMCWYRMSA-N 346.427 1.971 0 40 EDAB Cc1ccsc1CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C(C)C 95396324 XRDDORQNMOPYGU-UHFFFAOYSA-N 337.401 1.214 0 40 EDAB 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342.443 1.332 0 40 EDAB Cc1cc(N2CCN(C[C@H](O)c3ccccc3)[C@H](C)C2)nc(N)n1 75128539 XFGUHVIWXZXSOU-ZBFHGGJFSA-N 327.432 1.611 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)C[S@](=O)c2cccc(Cl)c2)C1 89774680 KCKDKKQZWUNQNU-LADRHHBVSA-N 328.821 1.172 0 40 EDAB Cc1ccccc1O[C@H](C)CNC(=O)N1CCS(=O)(=O)CC1 75307671 MZGXZUZGONXJNH-CYBMUJFWSA-N 326.418 1.202 0 40 EDAB O=C(NC[C@H]1C[C@@H]1c1ccccc1)NC[C@@H]1CN2CCC[C@@H]2CO1 89827978 ANOPYIUCZCYIJX-BRSBDYLESA-N 329.444 1.953 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)CN(C)Cc2cccc(N(C)C)c2)C1 89921879 PPARKCOQXXHWOC-KRWDZBQOSA-N 346.475 1.312 0 40 EDAB COc1c([C@@H]2CCCN2CC(=O)Nc2nncs2)c(C)nn1C 75605355 QGCHCYHLCZUNBU-JTQLQIEISA-N 336.421 1.364 0 40 EDAB COC(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134357 AUESACAOSPOOJH-UHFFFAOYSA-N 336.783 1.200 0 40 EDAB Cn1cc([C@H]2C[C@@H](C(=O)O)CN(C(=O)Cc3ccccc3)C2)cn1 1549796192 PLFHWJSMWKFNOF-LSDHHAIUSA-N 327.384 1.680 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306131967 KUDUYNUPDHCDRY-GFCCVEGCSA-N 344.346 1.321 0 40 EDAB CCC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NCCOC)c1 408600606 BDVWJCXFUYGONB-CYBMUJFWSA-N 342.461 1.838 0 40 EDAB C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cnn(C)c1Cc1ccccc1 548845085 URGZSTLWCRXJDP-DOMZBBRYSA-N 326.400 1.408 0 40 EDAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2cn(C(C)(C)C)nn2)C1 518410540 URJFJWBTLOWBMI-GJZGRUSLSA-N 335.452 1.245 0 40 EDAB CN1CCCC[C@@]1(C)C(=O)N1CC(c2nn(C)c3nccnc23)C1 72367337 CPASHOLSDFEXLJ-KRWDZBQOSA-N 328.420 1.164 0 40 EDAB CCOCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1F 72241624 NJXOKJTTYQKRQT-HOTGVXAUSA-N 338.379 1.267 0 40 EDAB O=C(Cn1c(=O)[nH]c2c(oc3ccccc32)c1=O)NCc1ccccc1 71289397 UKWSYAQQHFETCJ-UHFFFAOYSA-N 349.346 1.752 0 40 EDAB NC(=O)[C@@H]1CCCN(CCCNC(=O)c2cc3ccccn3c2)C1 73271177 PBAPXWYJLQTKNA-CQSZACIVSA-N 328.416 1.257 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)N2CC[C@H](c3ccsc3)C2)C1=O 675008146 DVTKOFBVRDVPBO-JTQLQIEISA-N 343.430 1.355 0 40 EDAB COc1ccc(C(=O)N2CCC(CC(=O)NCC3CC3)CC2)cn1 72344529 VBDGSZUKYJUKOB-UHFFFAOYSA-N 331.416 1.859 0 40 EDAB NC(=O)CCc1cccc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 72360485 PHPQDNWRJKLUJD-HNNXBMFYSA-N 338.411 1.914 0 40 EDAB Cc1cccc(CN2CCN(c3ncccc3S(N)(=O)=O)CC2)c1 79037601 YJTIHBNFRDKNPB-UHFFFAOYSA-N 346.456 1.360 0 40 EDAB Cc1cc(NC(=O)N[C@H]2CCCNC2=O)ccc1N1CCSCC1 78394930 IWZGLOHTSCTVJF-AWEZNQCLSA-N 348.472 1.948 0 40 EDAB C[C@H](N)C(=O)N(CC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 79391349 QNCHWKGDKDWCJE-LBPRGKRZSA-N 325.453 1.972 0 40 EDAB O=C(O)CC[C@@H]1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 218712453 MVJCIHGADVTBLS-VIFPVBQESA-N 332.234 1.875 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)NCCc1c[nH]c2ccccc12 225649787 YPGQQFDEVFNHBB-UHFFFAOYSA-N 325.368 1.848 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)CCc2c(C)n[nH]c2C)C1 225387891 KVUYLPFXTNQEQL-ZDUSSCGKSA-N 345.403 1.438 0 40 EDAB COC(=O)[C@H](C)CN(C)[C@@H]1CCN(c2c(F)cccc2F)C1=O 88521218 DGDOMHAGXOHTKQ-ZWNOBZJWSA-N 326.343 1.811 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 223394751 GZEZIGWHDXHPOX-RHSMWYFYSA-N 341.411 1.954 0 40 EDAB 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1.464 0 40 EDAB CCc1cc(O)nc(NC(=O)CCOCC(F)(F)C(F)F)n1 1615547911 ABFHWSSXMSALLU-UHFFFAOYSA-N 325.262 1.990 0 40 EDAB O=C1CSc2ncc(C(=O)N3CCCC[C@@H]3C3OCCO3)cc2N1 1615551358 SDMWZJGRDNAELS-GFCCVEGCSA-N 349.412 1.493 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NCC[C@@H](O)c1ccoc1 90613119 NJYCSRBFNZFIKS-GFCCVEGCSA-N 329.349 1.829 0 40 EDAB COC[C@]1(C(=O)O)CCCN1C(=O)[C@H]1C[C@@]12CCc1ccccc12 643853410 ZMXNTRJEPYREBW-LZQZEXGQSA-N 329.396 1.983 0 40 EDAB Cc1ccc(CN(c2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575420456 ITZWPCOHTOBYOZ-QZTJIDSGSA-N 347.436 1.865 0 40 EDAB Cc1ccc(CN(CCCC(=O)O)[C@H]2CCS(=O)(=O)C2)cc1 575421473 QPIJQFVTGSPBGD-HNNXBMFYSA-N 325.430 1.849 0 40 EDAB Cn1ccnc1C(=O)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585277330 UQCGYFOUWYUZPE-QGZVFWFLSA-N 333.363 1.005 0 40 EDAB COCCC(=O)N[C@H]1CCCN(C(C)=O)[C@H]1Cc1ccc(F)cc1 585269401 SAHBKECTJWOESB-IRXDYDNUSA-N 336.407 1.900 0 40 EDAB CC(C)N1CCOC[C@]2(CN(C(=O)c3ccnc(F)c3)CCO2)C1 585101542 ZWONYUIKXMOPBM-QGZVFWFLSA-N 337.395 1.173 0 40 EDAB Cc1noc([C@H]2CCC3(CCN(C(=O)c4ncn(C)n4)CC3)O2)n1 585113454 JENVGYUVZAEXKF-LLVKDONJSA-N 332.364 1.033 0 40 EDAB O=C(CCN1CCCC1=O)Nc1cc(Cl)ccc1-n1cncn1 67963533 HPJBRBBMFDQSNJ-UHFFFAOYSA-N 333.779 1.872 0 40 EDAB Cn1ncc2c(N3CCC(C(=O)Nc4ccccn4)CC3)ncnc21 52429841 PDXTWIWQTWGPDR-UHFFFAOYSA-N 337.387 1.613 0 40 EDAB C[C@@H](NC(=O)NCC(F)(F)F)c1ccc(S(N)(=O)=O)cc1 54091110 RMGXMWJACQVWFF-SSDOTTSWSA-N 325.312 1.257 0 40 EDAB O=C(NC[C@@H](NC(=O)[C@@H]1CCCO1)C1CCCCC1)[C@@H]1CCCO1 78623652 TVUVSTLELDXKAU-PMPSAXMXSA-N 338.448 1.526 0 40 EDAB O=C(c1cccn2nccc12)N1CC2(CCOCC2)CC[C@H]1CO 1615549217 PVHGPFABTHJPTC-AWEZNQCLSA-N 329.400 1.728 0 40 EDAB COc1ccc(C(=O)N2CCN(c3ccc(OC)nn3)CC2)cc1 12440247 LZMZAAYGKPDPHE-UHFFFAOYSA-N 328.372 1.456 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NCCC(C)C 13581058 DARDREMQYPIWKR-UHFFFAOYSA-N 346.424 1.617 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCc1nccc(N2CCOCC2)n1 206722033 GVQITRFNQNAIPA-AWEZNQCLSA-N 342.399 1.397 0 40 EDAB Cn1cc(S(=O)(=O)NCC[C@H](CCO)c2cccs2)cn1 575619337 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1.562 0 40 EDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(O)c(OC)c1 4784569 RSPZVZPRLPBMJT-CYBMUJFWSA-N 331.332 1.239 0 40 EDAB NC(=O)CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 9621895 MMTIPALGVHEIRM-UHFFFAOYSA-N 335.776 1.340 0 40 EDAB O=C(C1CC(F)(F)C1)N1CC[C@@]2(C[C@@H]2C(=O)N2CCOCC2)C1 2055815460 UNNOGFDGYXAIDF-IUODEOHRSA-N 328.359 1.129 0 40 EDAB Cc1cc(NC(=O)CN2CCN(CC(=O)c3cccs3)CC2)no1 36708332 YRBQTJALSJZXIM-UHFFFAOYSA-N 348.428 1.484 0 40 EDAB O=C(Cc1cccs1)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618255433 CQSRCSAENCIWMH-UHFFFAOYSA-N 347.440 1.708 0 40 EDAB COc1ccc2oc(=O)c(C(=O)NCCCN3CCOCC3)cc2c1 20065490 HYZXVIAENFSQIF-UHFFFAOYSA-N 346.383 1.254 0 40 EDAB O=C(NCC[C@@H]1CCCO1)c1ccc(S(=O)(=O)NC2CC2)o1 30600630 LTIZBAUQERZJIE-NSHDSACASA-N 328.390 1.019 0 40 EDAB COc1ccc(C(=O)Nc2ccc(-n3cnnn3)c(OC)c2)cc1 40288313 ROCXUEQZAHKGBG-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB CCc1c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccccn1 30870604 FVRPVKLZTZWUIK-GFCCVEGCSA-N 348.428 1.089 0 40 EDAB O=C(NCC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)c1ccco1 31268808 YGWRBXNQNJAPSK-SFHVURJKSA-N 342.395 1.982 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2nc3nc(C)cc(C)n3n2)C1 40475376 FUSUTQGGRLZMDG-GFCCVEGCSA-N 331.376 1.156 0 40 EDAB Cc1cc(CN2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)no1 40494446 TZTJOLLPTAPBOR-UHFFFAOYSA-N 342.465 1.077 0 40 EDAB O=C(NCCc1ccsc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 40512875 MGLRMTOBJKVVMJ-AWEZNQCLSA-N 329.425 1.851 0 40 EDAB Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cn1 40512531 ZWOFDVBIXWKBPL-NSHDSACASA-N 342.355 1.183 0 40 EDAB Cc1c(C(=O)NC[C@@H]2CCN(C3CC3)C2)cnn1-c1ccccn1 101684940 LHANXMQGLLTIMF-AWEZNQCLSA-N 325.416 1.790 0 40 EDAB Cc1ccc(CN(C)[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 32797221 QOXQTWGWXZYEQT-GOEBONIOSA-N 338.473 1.461 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1CCS(=O)(=O)C1 32784492 QTSWOASUPDGCFX-CYBMUJFWSA-N 327.450 1.002 0 40 EDAB COCCNC(=O)NC(=O)CSc1ncnc2ccsc12 32850646 GTCNWTJNNFBDBC-UHFFFAOYSA-N 326.403 1.256 0 40 EDAB COc1ccc(OC)c(CN2CCN(C(=O)NCC3CC3)CC2)c1 32909452 HLUQSLJWUWVWEE-UHFFFAOYSA-N 333.432 1.941 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N(C)C[C@@H]1COc2ccccc2O1 46462744 DRSGSIYZRVHBIL-UONOGXRCSA-N 330.388 1.753 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O 2646977 RGBHSFBRFKIRLW-APPDUMDISA-N 341.371 1.250 0 40 EDAB O=c1[nH][nH]c(=O)c2c(NC(=S)NCc3ccccc3)cccc12 503663 MARASYVYQLJKQP-UHFFFAOYSA-N 326.381 1.703 0 40 EDAB COCCCn1c(S(=O)(=O)[C@@H](C)c2cccc(C)c2)n[nH]c1=O 78798747 BTVFZTWQCGLFEA-LBPRGKRZSA-N 339.417 1.451 0 40 EDAB COc1ccc(S(=O)(=O)Nc2cccc(-n3nnnc3C)c2)cc1 41616224 XTVDWLDHUJLFCW-UHFFFAOYSA-N 345.384 1.780 0 40 EDAB Cc1ccc(C)c2[nH]c(=O)c(CNCCCN3CCOCC3)cc12 4131205 PFCYLSPFMKIMKB-UHFFFAOYSA-N 329.444 1.957 0 40 EDAB Cn1cc(CCNC(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)cn1 46992949 MCIOUNPRRNVKPF-IYBDPMFKSA-N 336.436 1.332 0 40 EDAB Cc1csc(=O)n1CC(=O)OCC(=O)N1CCc2ccccc21 7985894 YJPXHNKSGUVRKS-UHFFFAOYSA-N 332.381 1.351 0 40 EDAB COc1ccc(NC(=O)c2cc(C)n[nH]2)cc1S(=O)(=O)N(C)C 54151985 BRVJMGZILIWXKP-UHFFFAOYSA-N 338.389 1.229 0 40 EDAB Cc1ccc(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1C 23575356 MAFYUAJHPZDPHW-UHFFFAOYSA-N 347.440 1.586 0 40 EDAB CCN1CCN(c2ccccc2NC(=O)CCn2cncn2)CC1 54515823 BBVRRSCTTPDHEK-UHFFFAOYSA-N 328.420 1.449 0 40 EDAB CCOc1cc2c(cc1CNC(=O)CCn1cncn1)O[C@@H](C)C2 23748845 QCTOJVBKWBRGRH-LBPRGKRZSA-N 330.388 1.707 0 40 EDAB CCC[C@@H]1NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2)C1=O 42756930 HFIGANMFSLRXRE-YPMHNXCESA-N 326.780 1.800 0 40 EDAB O=C(C1CCN(Cn2c(=O)oc3ccccc32)CC1)N1CCOCC1 42912836 CMFZBSCTVOBEIT-UHFFFAOYSA-N 345.399 1.123 0 40 EDAB Cc1ccc(S(=O)(=O)Oc2ccnc(N3CCOCC3)n2)cc1 3133980 BRNAHBKUZQNFAQ-UHFFFAOYSA-N 335.385 1.389 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)NCC(=O)NC(C)(C)C 55045635 CJWDRIMEHUTXFS-UHFFFAOYSA-N 333.417 1.553 0 40 EDAB O=C1NC(=O)[C@H]2[C@@H]1N(Cc1ccccc1)N[C@H]2c1ccccc1F 101130103 FIYHYPXIGUPSJU-PMPSAXMXSA-N 325.343 1.528 0 40 EDAB CC(C)Oc1ccc2nnc(CCC(=O)Nc3nncs3)n2n1 72405409 DEISHXPHJRLVEJ-UHFFFAOYSA-N 333.377 1.334 0 40 EDAB C[C@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 107058874 HEOOEPHSCOLGMK-SWLSCSKDSA-N 337.445 1.042 0 40 EDAB COc1ccc(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)cn1 12548255 CEJKIKMBNCFLMO-CYBMUJFWSA-N 344.293 1.602 0 40 EDAB CN(C)CCCNC(=O)CNC(=O)Cc1cccc2ccccc12 72530499 GQJYUYWIUDGSEZ-UHFFFAOYSA-N 327.428 1.566 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)o2)C[C@@H]1N1CCOCC1 84736086 WXQTWUFDHLBWSO-ZBFHGGJFSA-N 349.431 1.099 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 59013662 IFLRXZFWHJBRAY-OAHLLOKOSA-N 346.427 1.863 0 40 EDAB Cc1ccc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)nc1 12546098 CMIJLNZMOMZUFW-UHFFFAOYSA-N 337.387 1.683 0 40 EDAB CC(=O)N1CCN([C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1 27342212 NWDKMVPJBYYKPU-QGZVFWFLSA-N 342.399 1.827 0 40 EDAB CCN1CCC[C@H]1CNC(=O)COc1ccc2c(c1)CCC(=O)N2 44836288 QOJPSZUZGUFPES-AWEZNQCLSA-N 331.416 1.551 0 40 EDAB COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)CO)cc1OC 27693705 HIALOBSUFOSCOO-CQSZACIVSA-N 342.395 1.998 0 40 EDAB COc1cc2nc(CN3C[C@H](C)OC[C@@H]3C)[nH]c(=O)c2cc1OC 27642741 FKWXYMBOIXBQKY-QWRGUYRKSA-N 333.388 1.550 0 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CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1CC(=O)N(C)C 62407353 QQDBEHWWTJQKJU-CHWSQXEVSA-N 348.447 1.742 0 40 EDAB Cc1ccc2oc(C(=O)Nc3nc(CC(N)=O)cs3)cc(=O)c2c1 12890196 QSKJYQZNZPWJKW-UHFFFAOYSA-N 343.364 1.838 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)NCc3ccc4c(c3)OCO4)CCO2)n1 95409013 IFAAXNYUUISMNP-AWEZNQCLSA-N 345.359 1.125 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)CCc2nc3ccccc3s2)CC1 71870991 KARNIPKJNFPJJM-CYBMUJFWSA-N 333.457 1.754 0 40 EDAB Cn1c(=O)oc2ccc(NC(=O)NC3CCC4(CC3)OCCO4)cc21 71855013 ZYZOLLUXWWFYID-UHFFFAOYSA-N 347.371 1.939 0 40 EDAB Cc1ccc(CN2C[C@H]3OC[C@@H](CNS(C)(=O)=O)[C@H]3C2)s1 306136204 PMOVYHQXPWVRKR-MRVWCRGKSA-N 330.475 1.053 0 40 EDAB COc1ccc(CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C2CC2)cc1 8924244 VUFPZHMHORQFHJ-UHFFFAOYSA-N 345.399 1.517 0 40 EDAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCCN(CC(N)=O)CC2)cc1C 71837363 HOJIFOODSGJAPQ-DLBZAZTESA-N 329.444 1.427 0 40 EDAB COc1ccc([C@H](NC(=O)CNC[C@H]2CN(C)CCO2)C2CC2)cc1 71879299 PNBLLWGYBIJNHB-PKOBYXMFSA-N 347.459 1.183 0 40 EDAB Cc1cc(Br)ccc1C(=O)N1CCN(CC(N)=O)CC1 71185678 BKQMTEVWWURSNJ-UHFFFAOYSA-N 340.221 1.001 0 40 EDAB Cc1cc(N2CCO[C@@H](Cn3nc(C)cc3C)C2)n2ncnc2n1 71185982 MYIQBGKDTVOKDT-CQSZACIVSA-N 327.392 1.151 0 40 EDAB CSCc1nc2ccccc2n1CC(=O)N[C@@H]1CCCCNC1=O 65436743 BHSMKKOCJLDSGM-CYBMUJFWSA-N 346.456 1.684 0 40 EDAB CC(C)C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCOc2ccccc21 65417510 DBPSHYDNJNBFPW-KBPBESRZSA-N 340.445 1.590 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@H](O)c1ccc(F)cc1F)CC2 65531240 GUAAXGDWUPZWJD-INIZCTEOSA-N 334.370 1.913 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)S(=O)(=O)c1ccc(Cl)nc1 96453025 BVJLXSHNAPEZBS-UHFFFAOYSA-N 341.824 1.562 0 40 EDAB COC(=O)[C@H](C)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 66156103 CEYUGEMVUVZLIN-JTQLQIEISA-N 328.771 1.798 0 40 EDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCSC 5825451 VMNNVPAOWHKNGV-UHFFFAOYSA-N 338.429 1.998 0 40 EDAB O=C(CSc1nncn1-c1cccc(Cl)c1)N1CCOCC1 7318764 IIGUFDKIHBFHSW-UHFFFAOYSA-N 338.820 1.872 0 40 EDAB Cc1ccc(-c2n[nH]c(NCCCN3CCOCC3)nc2=O)cc1 16045963 KYWHAQKESGWHOW-UHFFFAOYSA-N 329.404 1.275 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 70015803 CGXWWBWQZBTYPJ-ZDUSSCGKSA-N 332.379 1.150 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(C(=O)c2ccoc2)CC1 25238577 CKOAWOQYDWXELY-UHFFFAOYSA-N 330.388 1.157 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)[C@@H](C)OC[C@H]1CCCO1)C2 71860283 REJUXSVFGVYSON-TZMCWYRMSA-N 334.420 1.377 0 40 EDAB O=C(/C=C/c1ccccc1)NCC(=O)N1CCC(n2ccnc2)CC1 69367082 YGMOJRQAVKTIKQ-VOTSOKGWSA-N 338.411 1.876 0 40 EDAB O=C(CN1CCCNC1=O)Nc1nc2cc(F)c(F)cc2s1 69433918 DVNHTYKDCSNLDK-UHFFFAOYSA-N 326.328 1.928 0 40 EDAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCCNC1=O 69459282 PIASPGCQJYCDLD-WDEREUQCSA-N 343.449 1.081 0 40 EDAB Cn1cc(CNCC2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 69490768 MSQJAPVSGWIXSJ-LJQANCHMSA-N 328.460 1.955 0 40 EDAB NC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 69452576 MVYFWMFZLHQPGG-CVEARBPZSA-N 337.379 1.644 0 40 EDAB COC(=O)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 69537600 RXPRFAFCKSGIHI-NSHDSACASA-N 342.804 1.144 0 40 EDAB C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)N[C@H]1CCOc2ccccc21 69571648 AOSKQSQGUWJLJF-GUTXKFCHSA-N 341.415 1.211 0 40 EDAB COC(=O)N[C@H](CC(C)C)C(=O)Nc1ccnc(C(=O)N(C)C)c1 69740548 VHUHGJNQMAIBSX-GFCCVEGCSA-N 336.392 1.493 0 40 EDAB CC[C@H]1CN(C(=O)CN2CCNC(=O)C[C@@H]2c2ccccc2)CCO1 71830896 WNGUZBRQQYHHAE-DLBZAZTESA-N 345.443 1.187 0 40 EDAB CCc1c(C(=O)NCC(C)(C)N2CCN(C)CC2)cnn1C(C)(C)C 69895114 SAJMQSQVAKGNNT-UHFFFAOYSA-N 349.523 1.956 0 40 EDAB Cc1c(NC(=O)N[C@H]2CCS(=O)(=O)C2)cccc1OC(F)F 69808854 BZHGHGRMNBCFBZ-VIFPVBQESA-N 334.344 1.905 0 40 EDAB CCOc1ccnc(N2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)n1 69819609 NQDWIFAFUKKZGC-MRXNPFEDSA-N 346.406 1.870 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)C[C@@H]2CCC[C@H](C)C2)CC1 69870668 WEKWHVSREODNKT-GVDBMIGSSA-N 326.481 1.744 0 40 EDAB Cc1cc(NC(=O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)n(C)n1 69918587 IRAKILFBQNTNAJ-CQSZACIVSA-N 343.435 1.058 0 40 EDAB C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc2c(c1)OCO2 84139587 HCDTWKOJJKAXQK-GHMZBOCLSA-N 342.417 1.378 0 40 EDAB CC1(C)CN(CC(=O)NCc2ccc(Cl)s2)CC[S@@]1=O 97013842 FDAZCMSDPCTVKH-HXUWFJFHSA-N 334.894 1.861 0 40 EDAB Cn1ccc2c(C(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)cccc21 72269080 CCLCGBROZUVJMS-MSOLQXFVSA-N 327.428 1.850 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[C@H](c2noc(C)n2)C1 72231745 ZIOFYICMCVDKBR-JQWIXIFHSA-N 329.422 1.297 0 40 EDAB CN(C[C@@H](c1cccs1)N1CCOCC1)c1ccc2nnnn2n1 72276383 GUXPCAOSEHYLMP-LBPRGKRZSA-N 345.432 1.091 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)n1 72299397 ADCRMXQVJOVUPH-GFCCVEGCSA-N 331.376 1.422 0 40 EDAB C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1nnnn1-c1ccccc1 97135230 UZIRPLUQYJCPGV-BBRMVZONSA-N 340.431 1.714 0 40 EDAB CCn1cnnc1CNC(=O)N1CCO[C@H](CCc2ccccc2)C1 97109821 PBRUNOVDIDJENR-MRXNPFEDSA-N 343.431 1.841 0 40 EDAB CCCN1CCC(N2CCN(c3cc(C)nc(COC)n3)CC2)CC1 75051531 SALWTJARYJMXRU-UHFFFAOYSA-N 347.507 1.928 0 40 EDAB CC(C)N1CCC2(CC1)NC(=O)c1sc(N3CCOCC3)nc12 306138927 SKYHJZSCGPJCSS-UHFFFAOYSA-N 336.461 1.423 0 40 EDAB O=C1CN(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)CCN1 89878970 QLDNZNXNUQWJBR-INIZCTEOSA-N 344.802 1.966 0 40 EDAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CCN(C)C[C@H]2C)c1 89938864 NSILXJMSWSXRNZ-ILXRZTDVSA-N 349.475 1.905 0 40 EDAB Cc1ncsc1CNC(=O)N1CCC[C@H](CN2CCOCC2)C1 69936705 HXRTXCOSRJONIN-CQSZACIVSA-N 338.477 1.705 0 40 EDAB CCOC(=O)CN(C)Cc1nnc2n(CC)c(=O)c3ccccc3n12 60329926 UORNNPKQZLPKBK-UHFFFAOYSA-N 343.387 1.059 0 40 EDAB CCc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C1=O 409308231 WPRHYGNFGCGTBR-MMMWYMCRSA-N 341.363 1.435 0 40 EDAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCn1cccn1 524733488 NJBKFLNYXDLFLA-JOQOYGCGSA-N 340.383 1.109 0 40 EDAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3ccn(C)n3)c12 36618934 MZRDITCTKXKETA-UHFFFAOYSA-N 337.343 1.918 0 40 EDAB Cc1nc(C(=O)OCCCn2c(=O)[nH]c3ccccc3c2=O)cs1 78445964 SESQSYPYCSVFND-UHFFFAOYSA-N 345.380 1.702 0 40 EDAB COc1ccc([C@@H]2[C@H](C(=O)NCCCN(C)C)CCC(=O)N2C)cc1 72242050 JBAQQRFVTSKIJC-SJLPKXTDSA-N 347.459 1.673 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 42533274 NMKYZVOHZNXYBX-CZUORRHYSA-N 342.399 1.819 0 40 EDAB CCc1nnc(Nc2cc(C)nc([C@H]3CCN(C(=O)CO)C3)n2)s1 72382582 ZJURJQKWVRGQGQ-JTQLQIEISA-N 348.432 1.251 0 40 EDAB COCCS(=O)(=O)N1CCC(NC(=O)c2sccc2C)CC1 72265431 GCIOZYYMMCDCDW-UHFFFAOYSA-N 346.474 1.227 0 40 EDAB Cn1c(N2CCN(c3ccc(C(=O)O)cn3)CC2)nc2ccccc21 563213299 DJYUNCPUENJAPP-UHFFFAOYSA-N 337.383 1.993 0 40 EDAB CSc1ncccc1C(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1 225802712 VYSFJLJSPYEUOK-UHFFFAOYSA-N 343.368 1.472 0 40 EDAB CCC(=O)NS(=O)(=O)c1ccc(I)cc1 138493571 JLWRKYDRSFMVMU-UHFFFAOYSA-N 339.154 1.506 0 40 EDAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N1C[C@H](CO)OC(C)(C)C1 570953223 YEGRHHGTWHVBDO-GXTWGEPZSA-N 335.400 1.560 0 40 EDAB Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)N1CCC(C(=O)O)CC1 573718563 QNEOCMAOHNDZHI-VIFPVBQESA-N 345.421 1.026 0 40 EDAB Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2ccsc2)cn1 225647949 FTEWSDXNDZNOKQ-UHFFFAOYSA-N 340.408 1.992 0 40 EDAB Cc1noc([C@H](C)NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)n1 81618640 ZQRYCWJAHPDWTB-QMMMGPOBSA-N 347.766 1.562 0 40 EDAB O=C1C[C@]2(CCN(C(=O)c3csc(-c4ccccc4)n3)C2)C(=O)N1 82126785 JFJVPYNOUUDEOM-KRWDZBQOSA-N 341.392 1.689 0 40 EDAB O=C(C1CC1)N1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1 96244120 AIHYBTGKGJTYGT-GOSISDBHSA-N 328.416 1.709 0 40 EDAB O=C1[C@H](N2CCS(=O)(=O)CC2)CCN1c1ccc(F)c(Cl)c1 96495509 IDVDCRXKTYWKQZ-CYBMUJFWSA-N 346.811 1.315 0 40 EDAB Cc1cc(NC(=O)CN[C@H](C)c2cn(-c3ccccc3)nn2)no1 97374649 TYTINYSGVKBLBI-GFCCVEGCSA-N 326.360 1.853 0 40 EDAB CN(Cc1ccco1)C(=O)COCc1nc(-c2cccnc2)no1 96182070 SEVKAAICWXTRLV-UHFFFAOYSA-N 328.328 1.900 0 40 EDAB Cc1cc(C(=O)N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]32)c(C)o1 96100052 MXHKCRKWYPAFCC-INMHGKMJSA-N 332.400 1.891 0 40 EDAB Cc1noc(C[C@H]2C[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]3O2)n1 96209687 YNQBKCNBLXRGAB-JJRVBVJISA-N 343.383 1.939 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCO1 96426327 MXRRIKSIMXVXLR-AGIUHOORSA-N 343.210 1.810 0 40 EDAB O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)[C@@H]1CCCOC1 96466863 XBGNEXKLVQLGRI-DLBZAZTESA-N 330.428 1.620 0 40 EDAB CCCN(CC)C(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96266090 NITKBULYOJLKMX-UHFFFAOYSA-N 348.428 1.536 0 40 EDAB c1c2c(nn1CC1CCOCC1)[C@@H](CNC1CCOCC1)OCC2 96044431 BNVHLUYYJIZLAU-QGZVFWFLSA-N 335.448 1.692 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)CC2 97199208 MZVKUJRVVUUUCI-AWEZNQCLSA-N 336.399 1.771 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2[C@H](CC(=O)N3CCCO3)COC[C@H]2C1 97953567 URSFRIJVXKJHIP-INMHGKMJSA-N 349.431 1.540 0 40 EDAB CS(=O)(=O)CCNC(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1 96455543 WXCONTCYINADNR-UHFFFAOYSA-N 345.783 1.644 0 40 EDAB COCCNC(=O)[C@H]1CO[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 96042643 YUWCHAIFPNLNCB-KURKYZTESA-N 332.444 1.676 0 40 EDAB Cc1nc(CNC(=O)N[C@@H]2CCN(c3ncccc3F)C2)oc1C 95410122 WXRNEPVNITVGRT-GFCCVEGCSA-N 333.367 1.904 0 40 EDAB Cn1nnnc1-c1cccc(S(=O)(=O)NCCc2cccs2)c1 96427625 MYXLCSRIPUFCOH-UHFFFAOYSA-N 349.441 1.460 0 40 EDAB C[C@H](NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)N(C)C 96439265 IHVFRSZHSZHANR-STQMWFEESA-N 329.404 1.709 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1csnn1 96423780 PALIAJQYZTXMEO-CYBMUJFWSA-N 331.445 1.479 0 40 EDAB O=C(Cc1ccccn1)N1Cc2cncn2[C@@H](COc2ccccn2)C1 247849968 IKVOZKQBHNMQNY-QGZVFWFLSA-N 349.394 1.878 0 40 EDAB CNC(=O)C[C@H]1CN(CCOCc2ccccc2)Cc2ccnn21 247942905 JCDXKWQLEJQFJU-KRWDZBQOSA-N 328.416 1.593 0 40 EDAB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)c1cc2cc(Cl)ccc2[nH]1 1601564696 FZPYPJZUQGEXNS-ZDUSSCGKSA-N 332.747 1.970 0 40 EDAB O=C(Cc1cccs1)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O 257320872 VYYXBIAITOMVEM-BFYDXBDKSA-N 338.473 1.411 0 40 EDAB Cc1csc(C(=O)NC[C@]2(O)CCCN(c3cc(C)ncn3)C2)c1 257252107 JTOOITLFNVBTAL-QGZVFWFLSA-N 346.456 1.916 0 40 EDAB Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257252362 JUOBEBLSXKCTKN-JFIYKMOQSA-N 335.448 1.670 0 40 EDAB Cc1cccnc1C(=O)NCc1cnc(CC2CCN(C)CC2)cn1 257281445 OPFBVAIWZFSUCW-UHFFFAOYSA-N 339.443 1.994 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cncc(Cc2cccc(F)c2)c1 257246529 IUNJLKPDOFXJHL-MRXNPFEDSA-N 348.399 1.728 0 40 EDAB Cc1ccnc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257239683 HQISGWIVQXVUJO-AWEZNQCLSA-N 327.388 1.601 0 40 EDAB O=C(N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O)c1cncs1 257303546 SHQTVTQSBHNYKO-QHSBEEBCSA-N 334.397 1.205 0 40 EDAB CCCC[C@H]1Oc2ccc(S(=O)(=O)N(C)CCO)cc2NC1=O 252494683 OBQBKFNCKXDMMR-CQSZACIVSA-N 342.417 1.189 0 40 EDAB Cc1cc(N(C)C)nc([C@@H]2COCCN2C(=O)c2cscn2)n1 257327327 XAYLICADUXJOBL-LBPRGKRZSA-N 333.417 1.521 0 40 EDAB CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1C(=O)Cc1ccsc1 257271413 MYFAMZCSOWIQFB-KRWDZBQOSA-N 344.440 1.687 0 40 EDAB CCn1nc(C(C)C)cc1C(=O)N1CCO[C@H](c2nccnc2N)C1 257287572 PQMYMJKXDRHUIF-AWEZNQCLSA-N 344.419 1.612 0 40 EDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)COc1cccnc1 257299355 RPROWMZYLVAXSX-LKCYJCQHSA-N 343.427 1.851 0 40 EDAB O=C(O)c1cnc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)cn1 263441429 PWRPDOKWMGNWQD-AWEZNQCLSA-N 327.340 1.418 0 40 EDAB COc1ccc(NC(=O)[C@@]23C[C@H]2CCN(C)S3(=O)=O)cc1OC 260832482 KBVNOPOAQGRCNV-MEBBXXQBSA-N 340.401 1.066 0 40 EDAB Cn1cnnc1[C@@H]1CCN(S(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)C1 1616001729 MIGVQOQKAMYARH-KFWWJZLASA-N 332.429 1.490 0 40 EDAB Cc1cc([C@H](C)NC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c(C)o1 1615588132 OHKRMMRYWVKGLB-GSDQYQHOSA-N 348.403 1.635 0 40 EDAB O=C(O)[C@@H](Cn1cccn1)NS(=O)(=O)C1=Cc2ccccc2CC1 1615571322 JANGHDZTDUOZGQ-OAHLLOKOSA-N 347.396 1.243 0 40 EDAB CCn1cnc2c(NC[C@H]3CS(=O)(=O)c4ccccc43)ncnc21 560213723 SWXAEFXCPBEBBN-NSHDSACASA-N 343.412 1.829 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCc3ncncc3C2)cc1F 96122863 RTLLZZUUZYPTFM-UHFFFAOYSA-N 337.376 1.761 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CC[C@H](Oc3ncccn3)C2)cc1 575609972 DFZMJTNCNKCVKX-AWEZNQCLSA-N 347.396 1.521 0 40 EDAB CCCCC(=O)N1Cc2ccnn2[C@@H](C(=O)NCC2CCOCC2)C1 575402606 CLPRBZYZIFCYJS-MRXNPFEDSA-N 348.447 1.499 0 40 EDAB COc1cc(CNC(=O)[C@H](C)n2nc3c(cc2=O)CCC3)ccn1 585150245 HQMIZZFYTFSSHD-NSHDSACASA-N 328.372 1.013 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2cc3c(s2)CCC3)Cc2ccnn21 585095237 LWRGHVOQNXJVJJ-ZDUSSCGKSA-N 344.440 1.767 0 40 EDAB CCS(=O)(=O)NC[C@H]1CN(Cc2ccsc2)Cc2ccnn21 585111506 CIONHRWVUSLBRA-AWEZNQCLSA-N 340.474 1.441 0 40 EDAB C[C@H](Cn1cccn1)NCC(=O)NC[C@@H]1CCN(c2ccccc2)C1 72267733 FFXBTADRZZSZFE-SJORKVTESA-N 341.459 1.504 0 40 EDAB CCOC(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 35349117 CIRSKKLHGPRYKZ-UHFFFAOYSA-N 325.796 1.735 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cccnc2N2CCCCC2)CC1 49618938 FUEZSRYXMVHPEP-UHFFFAOYSA-N 330.432 1.766 0 40 EDAB O=C1C[C@H](C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CN1Cc1ccccn1 55422528 HMOYBIAQCMKDQG-BHYGNILZSA-N 343.427 1.600 0 40 EDAB CCn1cc(S(=O)(=O)Nc2cccnc2-n2cccn2)nc1C 95453614 ANQSLCZBTHPIPB-UHFFFAOYSA-N 332.389 1.593 0 40 EDAB CC(=O)N1CC[C@@H](NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 95450574 BKFUTGAIWJTOIY-OLZOCXBDSA-N 331.199 1.764 0 40 EDAB CCN(C)S(=O)(=O)N(C)C1CCN(CCc2ccncc2)CC1 78965026 KCBTTWCKVYPNMK-UHFFFAOYSA-N 340.493 1.217 0 40 EDAB Cc1ccccc1-c1nnc(S(=O)(=O)[C@H](C)C(=O)N(C)C)n1C 79951675 CTKFJZRVJZQJKV-LLVKDONJSA-N 336.417 1.041 0 40 EDAB O=C(O)CCNC(=O)c1cccc(-n2cc(Br)cn2)c1 95969652 IWBICSSGNJMDTQ-UHFFFAOYSA-N 338.161 1.839 0 40 EDAB CNC(=O)[C@H](C)CN(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1 81446537 USVJACGELUDGSI-CQSZACIVSA-N 345.443 1.379 0 40 EDAB COCCN1CC[C@H](NC(=O)NC[C@H](c2cccs2)N(C)C)C1 89312251 VLWZIGXISQTTJI-UONOGXRCSA-N 340.493 1.371 0 40 EDAB Cc1ncnc(N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)c1C 585614605 IAGJHNJERSDGJU-KBPBESRZSA-N 336.403 1.104 0 40 EDAB CCN1CCN(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)CC1 40526810 APHBYRIMTIOYKY-UHFFFAOYSA-N 325.434 1.568 0 40 EDAB COC(=O)c1ccccc1OCC(=O)NCc1ccc2c(c1)OCO2 5654807 JOAIDXRMNQLLQJ-UHFFFAOYSA-N 343.335 1.897 0 40 EDAB O=C(CNC(=O)c1ccccc1)OCc1cc(=O)n2ccsc2n1 5715606 DCKFYJIZCRRDNN-UHFFFAOYSA-N 343.364 1.229 0 40 EDAB CCc1cccc2cc(CNCCCN3CCOCC3)c(=O)[nH]c12 13566699 ZWNAAYOAMCSTOZ-UHFFFAOYSA-N 329.444 1.902 0 40 EDAB Cc1nonc1CN(C)C(=O)[C@@H](C)N1C(=O)[C@H](C)Oc2ccccc21 19559048 GTCOCFOBGKKEHG-NEPJUHHUSA-N 344.371 1.539 0 40 EDAB COCCN1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 22999841 RGYQQWYZLHHHET-UHFFFAOYSA-N 330.425 1.462 0 40 EDAB Cc1cc(=N)[nH]c([C@@]2(C)CCCN2S(=O)(=O)c2ccccc2)n1 607855349 NDNHRIPOWUIQEM-MRXNPFEDSA-N 332.429 1.897 0 40 EDAB O=S(=O)(C1CCCCC1)N1CCC[C@H](Oc2cnccn2)C1 225477668 MIQSFUQDYMEGCK-ZDUSSCGKSA-N 325.434 1.982 0 40 EDAB O=C1[C@H]2CN(c3ncc(Cl)cn3)C[C@@H]2C(=O)N1Cc1ccccc1 1888849679 ILYYPTKNMWOXMH-KBPBESRZSA-N 342.786 1.751 0 40 EDAB Cn1c(N2C[C@H]3CN(C(=O)c4cc[nH]n4)C[C@@H]3C2)nc2ccccc21 1888888309 DVTGVKVGOLRFIG-CHWSQXEVSA-N 336.399 1.505 0 40 EDAB CCCn1c(O)nnc1S[C@@H](C)C(=O)N1CCN(CC)CC1 21744878 KDQGWYBQEKJJOS-NSHDSACASA-N 327.454 1.038 0 40 EDAB CC(C)N1C[C@H]2CN(C(=O)c3ccccc3F)CC[C@@H]2OCC1=O 2037984553 FODGKGOLGWMOST-CJNGLKHVSA-N 334.391 1.924 0 40 EDAB COCCN1CCC[C@@]12CCCN(C(=O)Cc1ccn(C)n1)CC2 1565545285 CQFYSSLUKRQOTO-GOSISDBHSA-N 334.464 1.456 0 40 EDAB CN(C)CCN1C(=O)CCC12CCN(C(=O)C1(F)CCC1)CC2 1565550646 CWJXAOYOPLQSPZ-UHFFFAOYSA-N 325.428 1.424 0 40 EDAB C[C@H]1CCc2c(sc(NC(=O)CN3C(=O)CCC3=O)c2C(N)=O)C1 4078735 FKPHOQKQFLAVMF-QMMMGPOBSA-N 349.412 1.059 0 40 EDAB COCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 9661312 QMHULTHGJPMOSE-UHFFFAOYSA-N 326.356 1.052 0 40 EDAB CCCCN(C)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713387 INILYOCVIYTUJP-AWEZNQCLSA-N 332.448 1.940 0 40 EDAB COc1ccc(CN2CCC[C@](C(=O)N(C)C)(n3ccnc3)C2)cc1 2055771677 QOOLYXZPSWBLQQ-IBGZPJMESA-N 342.443 1.971 0 40 EDAB CN(CC(=O)N1CCCC[C@H](c2ccc(F)cc2)C1)S(C)(=O)=O 206671518 HKZPGFXCRGONKM-AWEZNQCLSA-N 342.436 1.813 0 40 EDAB CSC[C@](C)(O)CNC(=O)CCc1ccc(S(C)(=O)=O)cc1 225621460 IXWDOUSHRYCEKC-OAHLLOKOSA-N 345.486 1.253 0 40 EDAB COc1nn(C)cc1C(=O)NCCn1cc(-c2ccncc2)cn1 575612308 ARHLRIZCRUPZMB-UHFFFAOYSA-N 326.360 1.117 0 40 EDAB O=C(NCCc1ccccc1)NCCn1ccnc1-c1cnccn1 575610294 VGJRVNQOLYBKKI-UHFFFAOYSA-N 336.399 1.882 0 40 EDAB Cn1cc(-c2nccnc2CNC(=O)NCc2cccs2)cn1 575620427 SMOIKWMEZSRDNA-UHFFFAOYSA-N 328.401 1.938 0 40 EDAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)c1noc2c1CCCC2 575413799 FSWXWQDLCAOFPE-CYBMUJFWSA-N 344.367 1.788 0 40 EDAB COc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)cc1 100052684 KYTXCSLDFMQCSI-ZQDZILKHSA-N 338.363 1.537 0 40 EDAB COc1ccc([C@@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1F 31218858 UODHWUWKIZZQON-SECBINFHSA-N 333.363 1.954 0 40 EDAB CC[C@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CCO1 40497519 IBKMXAAPMOVZHM-HNNXBMFYSA-N 338.429 1.478 0 40 EDAB CC(=O)N1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1 40476388 HAMIFGGZDXXXAJ-MRXNPFEDSA-N 348.447 1.680 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 100702685 ULWMMDMJBXKUAR-PMPSAXMXSA-N 329.396 1.994 0 40 EDAB Cc1noc(C)c1CC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 40529494 JEEWFDNMHBFAPB-GFCCVEGCSA-N 344.415 1.770 0 40 EDAB COCCOc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cn1 40512038 ZRNUQVJDMBAVOI-OAHLLOKOSA-N 330.340 1.885 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CN1CSCC1=O)c1ccccc1 32493644 ZFDCBSXVCGYWBO-HNNXBMFYSA-N 330.413 1.159 0 40 EDAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[C@H](C(N)=O)C1 41129221 BXZORDZTBZNMEX-JTQLQIEISA-N 337.445 1.989 0 40 EDAB CCS(=O)(=O)Nc1ccc(Nc2ncnc3c2cnn3C)cc1 52467337 UBWKPVMYFJSBIL-UHFFFAOYSA-N 332.389 1.869 0 40 EDAB C[C@@H](C(N)=O)S(=O)(=O)Cc1csc(COc2ccccc2)n1 52438911 GEBORDQWJSOPAD-JTQLQIEISA-N 340.426 1.511 0 40 EDAB CCN(CC)CCCNS(=O)(=O)CCn1cnc2ccccc21 32847958 QQZBCOMDINOJTG-UHFFFAOYSA-N 338.477 1.688 0 40 EDAB CCc1ccc(CCC(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)cc1 76017407 ZXVKXOKBLQRWNN-UHFFFAOYSA-N 341.459 1.953 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H](C)COCc3ccccc3)CCO2)n1 76045035 AKEPCICPFBOQOA-CZUORRHYSA-N 344.415 1.866 0 40 EDAB Cc1nc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)n[nH]1 76041463 IHJIVDBEQAFAIM-GOSISDBHSA-N 341.415 1.672 0 40 EDAB O=S(=O)(C[C@H](O)C(Cl)(Cl)Cl)NNc1ccccc1 1572001 NIXZPNVWSRNHMX-QMMMGPOBSA-N 333.624 1.664 0 40 EDAB in-vitro CC[C@]1(C)NC(=O)N(NC(=O)CN2CCC3(CCCCC3)C2)C1=O 78876623 PXMWZXLOCDAAAN-INIZCTEOSA-N 336.436 1.394 0 40 EDAB O=C(O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 2654612 HRMOAPIJRHILKR-UHFFFAOYSA-N 334.313 1.168 0 40 EDAB CCn1nccc1[C@@H](C)NC(=O)CCS(=O)(=O)c1ccccc1 2809440 SNTOLILYHDBWGR-CYBMUJFWSA-N 335.429 1.944 0 40 EDAB CCc1nnc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)n1C 97033532 JVJWASVTPMYOHZ-JTQLQIEISA-N 340.424 1.771 0 40 EDAB COCCNC(=S)N1CCC(NC(=O)c2ccc(C)cc2)CC1 4888578 KOJYBAWTWFTRBI-UHFFFAOYSA-N 335.473 1.710 0 40 EDAB COc1ccc(OC)c([C@H]2c3c(C)nnc(O)c3Nc3nnnn32)c1 10298529 XYELYSWSVWEWKP-ZDUSSCGKSA-N 341.331 1.189 0 40 EDAB Cc1cc(C(=O)NCCCOC(C)C)ccc1NS(C)(=O)=O 10315079 SHEHWWHYQZPFMX-UHFFFAOYSA-N 328.434 1.911 0 40 EDAB O=C1CC[C@@H](C(=O)Nc2ccc(I)cc2)N1 974497 PBUVJPSTVSUUIJ-VIFPVBQESA-N 330.125 1.508 0 40 EDAB COc1ccccc1OCC(=O)Nc1cc(-n2cnnn2)ccc1F 47180418 QSPGNCYTCMYVNL-UHFFFAOYSA-N 343.318 1.828 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3ncccn3)CC2)[C@@H]1C 54530914 MPZNXFDZNIJWCM-BZUAXINKSA-N 331.464 1.540 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCNS(C)(=O)=O)C2CC2)o1 42721724 SNOLOYVVAYCQPQ-RISCZKNCSA-N 340.445 1.833 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 47431811 FMEXXGCDGOHBML-UHFFFAOYSA-N 334.807 1.501 0 40 EDAB O=C(O)CCCN1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O 8879700 FPLPQJOBJNXASI-HNNXBMFYSA-N 341.367 1.128 0 40 EDAB biogenic O=S(=O)(Cc1cccc2cccnc12)N[C@H]1CCCn2ncnc21 97013311 LBIFQVBWZOBJLH-AWEZNQCLSA-N 343.412 1.781 0 40 EDAB O=S1(=O)CC[C@@H](N(Cc2ccc(Cl)cn2)C[C@H]2CCCO2)C1 97047182 ILJAIKCIHVIXKT-HUUCEWRRSA-N 344.864 1.903 0 40 EDAB CCOc1ccc(CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 55160499 LYXUTXVIFRZYKB-UHFFFAOYSA-N 345.399 1.219 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)c(Cl)c1 106183827 YWCRPUZOUNZDHW-VHSXEESVSA-N 347.820 1.925 0 40 EDAB O=C(c1nc(O)c2ccccc2n1)N1CCN(c2ncccn2)CC1 24842776 YUSXRQCFFIECBL-UHFFFAOYSA-N 336.355 1.088 0 40 EDAB CCCCn1nc(C(=O)Nc2ccc(-n3cncn3)nc2)ccc1=O 24883939 IEECVOQQTUVIEM-UHFFFAOYSA-N 339.359 1.271 0 40 EDAB CC(C)(CNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)N1CCS(=O)CC1 106799778 LCAIRLLNQJJTIB-SOUVJXGZSA-N 326.506 1.772 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(C[C@H]2CCOC2)CC1 47717437 UXHCWVAYFZZEMP-PBHICJAKSA-N 332.400 1.007 0 40 EDAB CC[C@H]1CN(CC(=O)NCc2ccc(OC)cc2)CCN1C[C@H](C)O 106906676 RHYFBDFSTHMAJL-RDJZCZTQSA-N 349.475 1.088 0 40 EDAB CC1CCC(N(C)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 25628999 JIZWFNMLMZJDQQ-UHFFFAOYSA-N 344.415 1.283 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16C=CC=C[C@@]56[C@H]2[C@H]43 104286527 BPXCBGYWWVEAFS-OFUAFVKMSA-N 329.359 1.515 0 40 EDAB COCCNC(=O)Cn1c(Nc2ccc(F)c(C)c2)nc(C)cc1=O 57507602 SURKCJQGBRIUGR-UHFFFAOYSA-N 348.378 1.505 0 40 EDAB O=C(CNc1cccc(-c2nnnn2C2CC2)c1)NCC(F)(F)F 12526771 CEBDIFIPSHILHJ-UHFFFAOYSA-N 340.309 1.765 0 40 EDAB CCOc1ccc(NC(=O)CNC(=O)c2ccnc(N(C)C)c2)cc1 58047862 DZNGYJOFWBALBN-UHFFFAOYSA-N 342.399 1.915 0 40 EDAB Cc1cc(N(C)C)ccc1NC(=O)CS[C@H]1CCS(=O)(=O)C1 58168250 KSIVLQRLTYBZQF-ZDUSSCGKSA-N 342.486 1.920 0 40 EDAB CC(C)COC(=O)N1CCN(CC(=O)Nc2nccs2)CC1 58217585 ZVXQOJKRNXRDFA-UHFFFAOYSA-N 326.422 1.492 0 40 EDAB C[C@H](C(=O)NCc1ccccc1)N1CCN(Cc2cscn2)CC1 58266161 DPQREBFAXGCVPI-OAHLLOKOSA-N 344.484 1.966 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N(C)Cc3cnn(C)c3)CC2=O)c(F)c1 44913640 WHSXNLAGJPWRMA-AWEZNQCLSA-N 344.390 1.879 0 40 EDAB CCN(Cc1ccco1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 44909331 SHCIXZQJMFESTH-UHFFFAOYSA-N 335.385 1.126 0 40 EDAB Cc1cncc(C(=O)N2C[C@H](OCCN(C)C)[C@H]3OCCC[C@H]32)c1 107207330 ZXEUHEJGOWYZFY-IKGGRYGDSA-N 333.432 1.340 0 40 EDAB C[C@H](NC(=O)CCSc1ccccc1F)C(=O)N1CCOCC1 58367701 ODWPDWBMMXRLMH-LBPRGKRZSA-N 340.420 1.671 0 40 EDAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NO[C@@H]1CCCCO1 58419473 PUQRVAQNHLSVSD-QGZVFWFLSA-N 329.356 1.485 0 40 EDAB CC(=O)N1CCC(NC(=O)NCCOc2ccc3c(c2)OCO3)CC1 48157329 TXDINRDHGYMJHO-UHFFFAOYSA-N 349.387 1.104 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2ccc3c(c2)OCO3)C1 10746510 NOPLKOJISBISEL-CYBMUJFWSA-N 333.340 1.400 0 40 EDAB COc1cccc(-c2noc(CCC(=O)NC[C@H]3CCCO3)n2)c1 2380846 BOVJUENIHGDUPO-CQSZACIVSA-N 331.372 1.973 0 40 EDAB COc1cc(Nc2cc(C)nc3ncnn23)c(C(=O)O)cc1OC 2339260 WYOUJZQGOKHMGH-UHFFFAOYSA-N 329.316 1.892 0 40 EDAB COc1ncccc1CNC(=O)NCc1nnc2n1CCCCC2 45570499 VLIIVCTZVZGKFX-UHFFFAOYSA-N 330.392 1.408 0 40 EDAB Cn1cc(N2CCC[C@H](N3CCN(C(=O)C(C)(C)C)CC3)C2=O)cn1 95401423 YDCAEZQDVNRJHC-HNNXBMFYSA-N 347.463 1.106 0 40 EDAB Cc1csc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)n1 29442131 ISARYECJCURMSW-GFCCVEGCSA-N 329.385 1.510 0 40 EDAB CC(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 3379215 CLYDLGQKRSCNJE-UHFFFAOYSA-N 339.701 1.755 0 40 EDAB COC(=O)c1ccc(COC(=O)c2ccc(-n3cnnn3)cc2)o1 3450524 XNJVVZHHXRRLAT-UHFFFAOYSA-N 328.284 1.399 0 40 EDAB CC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 3453732 POGYYUIEZADWHP-UHFFFAOYSA-N 339.413 1.915 0 40 EDAB Cc1ccc(C)c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 3520255 FMASVQJWRSGKIG-UHFFFAOYSA-N 333.413 1.258 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(F)c(F)c2)cc1 3581205 DEHMSTGBNAXEGX-UHFFFAOYSA-N 344.314 1.681 0 40 EDAB in-vivo CCCCOc1cccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)c1 8992011 VJQDAUMWBCATLP-UONOGXRCSA-N 340.470 1.726 0 40 EDAB CN(Cc1ccc(OCc2nccn2C)cc1)[C@H]1CCS(=O)(=O)C1 65463946 KTVBZSNUXPIKPC-HNNXBMFYSA-N 349.456 1.618 0 40 EDAB CCCc1c(C(=O)N2CCN(Cc3ccncc3)CC2)cnn1C 65553839 PJTOQLKJUWATEC-UHFFFAOYSA-N 327.432 1.726 0 40 EDAB C[C@H]1CN(C(=O)CN(C)Cc2nc3ccccc3n2C)C[C@@H](C)O1 83219399 KKGAXGYTKGHSTD-OKILXGFUSA-N 330.432 1.641 0 40 EDAB NC(=O)OCCNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 97371402 UYCXACNGSGOJCS-QWRGUYRKSA-N 327.178 1.764 0 40 EDAB Cn1ncc2c(NCc3ccc(N4CCOCC4)nc3)ncnc21 14306981 GQTQXLSJCMSJBE-UHFFFAOYSA-N 325.376 1.207 0 40 EDAB Cc1ccc(-c2nsc(NC(=O)[C@@H]3CCS(=O)(=O)C3)n2)s1 66413203 VCHXLWKKNZZHKK-MRVPVSSYSA-N 343.455 1.948 0 40 EDAB O=C(NCCCN1CCOC1=O)c1nn(-c2ccccc2F)cc1O 95351183 GQEGCGODDUIATB-UHFFFAOYSA-N 348.334 1.289 0 40 EDAB O=C(Nc1nccs1)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 95365180 PMWKIXFIDLSSBU-JTQLQIEISA-N 345.428 1.846 0 40 EDAB CC(C)(C)OC(=O)CCN1CCCC[C@@H]1C(=O)N1CCOCC1 67230357 ZMKPMCLGDIHGAF-CQSZACIVSA-N 326.437 1.432 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)Nn1cnc2ccccc2c1=O 15576422 DRYJNDMINGLVEJ-UHFFFAOYSA-N 336.307 1.075 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)CSc2nnc(C3CC3)n2C2CC2)C1 7550873 FITKUISXIMOVIE-NSHDSACASA-N 349.460 1.306 0 40 EDAB CC(C)CCC(=O)NCC(=O)N1CCN([C@H](C)c2cccnc2)CC1 70009386 CUZHJTPQGUFSBX-MRXNPFEDSA-N 346.475 1.839 0 40 EDAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCCC1 32975568 YGPTZRWTKJPGLL-CQSZACIVSA-N 328.409 1.751 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)CC1 34926397 DGSOJHKMFRSUOX-MNOVXSKESA-N 326.393 1.423 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1NC(=O)C1=NN(C)C(=O)CC1 69517534 DTFGPXQVENLOCR-UHFFFAOYSA-N 337.401 1.415 0 40 EDAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COc3ccccc3O2)C1 69558211 OKZHXNOYGYTNOE-WMLDXEAASA-N 346.427 1.837 0 40 EDAB CCC(C)(C)NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 69592511 YEHVNIGICRFYCP-UHFFFAOYSA-N 335.389 1.300 0 40 EDAB COC(=O)[C@](C)(NS(=O)(=O)C[C@@H]1CCCCO1)c1ccccc1 69738282 BINQNZSOOAEEBW-GOEBONIOSA-N 341.429 1.563 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)NC[C@@](C)(O)c1ccc(F)cc1F 69703362 DKIJWKLZUXULJO-MEBBXXQBSA-N 349.399 1.502 0 40 EDAB CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCCCn1ccnc1 69776879 LHOQPTSNBITTPA-CYBMUJFWSA-N 338.477 1.727 0 40 EDAB Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)NCC(=O)N1CCCC1 69846804 HFQCGDXOQHFFTH-UHFFFAOYSA-N 342.465 1.156 0 40 EDAB CC[C@H]1CN(CC(=O)N2CCc3ccccc32)CCN1CCOC 69842222 LBEBXNXWIHITHT-KRWDZBQOSA-N 331.460 1.618 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](N3CCCC3=O)C2)C1 69893465 DBMFSVQXSCJFRX-KFWWJZLASA-N 343.493 1.296 0 40 EDAB C[C@H]1CN2CCC[C@@H]2CN1C(=O)CN1C(=O)CSc2ccccc21 69843508 CIHYWZXBPVDFDQ-UONOGXRCSA-N 345.468 1.820 0 40 EDAB CC[C@@](C)(NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)C(=O)OC 71849974 SYYNZARSQPGZSF-MRXNPFEDSA-N 334.351 1.786 0 40 EDAB CCn1c(CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n[nH]c1=S 71846980 MQDXRASRNAEFOI-NSHDSACASA-N 345.428 1.630 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCO[C@@H]2CCCC[C@H]21 71805024 VNKYVIDSFLPBJK-NVXWUHKLSA-N 327.384 1.567 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 71830537 SNKUNIXZNLDQNE-CQSZACIVSA-N 327.388 1.726 0 40 EDAB C[C@H](NC(=O)CN(C)S(C)(=O)=O)c1nc(C(C)(C)C)cs1 71882900 OAWCUHRMRNDMFS-VIFPVBQESA-N 333.479 1.509 0 40 EDAB NC(=O)COc1ccc(CNCc2cnc(N3CCCC3)nc2)cc1 71837059 REVNXHZEBBXWID-UHFFFAOYSA-N 341.415 1.231 0 40 EDAB Cc1cnccc1CCNC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 95438101 YKRHOQXAMXPKPL-GFCCVEGCSA-N 344.337 1.395 0 40 EDAB CC[C@H](CO)N1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 95433296 SOXQHZGLNRLUGE-CQSZACIVSA-N 338.429 1.510 0 40 EDAB COc1ccccc1[C@H]1C[C@H]1NC(=O)c1ccnc(-n2cncn2)c1 71924321 ZKSULZCBNBIPKE-HUUCEWRRSA-N 335.367 1.957 0 40 EDAB COCCN(CC(=O)OC)Cc1cc(=O)oc2c(C)c(O)ccc12 71907432 SDHKKXYHTBCQPI-UHFFFAOYSA-N 335.356 1.428 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2CN(C)C)c1C 84041497 KCPGFKIPEWCVEJ-ZDUSSCGKSA-N 340.445 1.496 0 40 EDAB Cc1oc(C(=O)NCc2ccc3c(c2)CCC3)cc1S(N)(=O)=O 89536601 HOPJWNNQPQGQBK-UHFFFAOYSA-N 334.397 1.654 0 40 EDAB CC(C)CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 32101438 NJIMBYQTSLLHNM-CQSZACIVSA-N 331.416 1.318 0 40 EDAB COc1cccc(CCC(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 75143419 NYUJKUJOBHVZPC-LBPRGKRZSA-N 344.333 1.907 0 40 EDAB COc1cccc([C@@H](CNC(=O)N[C@H](C)c2nncn2C)N(C)C)c1 89913950 WLESATBQBGPFHR-IUODEOHRSA-N 346.435 1.487 0 40 EDAB Cc1nc(CN2CCCN(Cc3nc(-c4ccoc4)no3)CC2)no1 75603226 SYTPALLCOXICFA-UHFFFAOYSA-N 344.375 1.729 0 40 EDAB O=S(=O)(NCc1ccc(OCC(F)(F)F)cc1)c1c[nH]cn1 75611902 SEJTYXMBFOBTQI-UHFFFAOYSA-N 335.307 1.829 0 40 EDAB O=C(c1cn2cccnc2n1)N1CCCN(c2nccs2)CC1 64471681 ZTLOHCUKUDBWCD-UHFFFAOYSA-N 328.401 1.538 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ncccc2C)cc1 23077823 JDYIERMJOQZBGS-UHFFFAOYSA-N 333.413 1.958 0 40 EDAB CCc1nc(OC)ccc1NC(=O)[C@@H]1Cn2c(C)nnc2CN1C 1552326444 YEBROTMAFROFNF-ZDUSSCGKSA-N 330.392 1.005 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)/N=c1/[nH]nc(-c2ccccn2)[nH]1 69513009 UNTIYLRJDCORJG-HNNXBMFYSA-N 348.366 1.205 0 40 EDAB C[C@@H](Nc1ccn(-c2ccccc2Cl)n1)C(=O)N1CCNC1=O 188597205 NHVPTMBLTHAGNT-SNVBAGLBSA-N 333.779 1.878 0 40 EDAB COC(=O)c1c(SCC(=O)Nc2ccccc2C)nc(=O)[nH]c1C 31618451 YEXMHKUAKSOPPX-UHFFFAOYSA-N 347.396 1.904 0 40 EDAB Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CO)C3)n2)n1 72382579 JQTQCVPDZKWHQZ-CYBMUJFWSA-N 342.403 1.244 0 40 EDAB C[C@@H]1Oc2ccc(S(=O)(=O)NCc3ccccc3)cc2NC1=O 71542754 CNLWTYXUIXVYTA-NSHDSACASA-N 332.381 1.885 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)Cn1cccc(C(F)(F)F)c1=O 42368902 BTSOJCOHYYFINL-JTQLQIEISA-N 328.294 1.269 0 40 EDAB C[C@@H]1Cc2cc([C@@H](O)CN3CCN(c4ncccn4)CC3)ccc2O1 36741406 ORARILZAFONWNR-PBHICJAKSA-N 340.427 1.656 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H](Nc2ncnc3sccc23)C1 557749250 QVYUAHBVRVYBQX-SNVBAGLBSA-N 341.462 1.374 0 40 EDAB COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)CO)C3)n2)c1 72359754 KZYFYBGZWZNRSL-CQSZACIVSA-N 327.384 1.851 0 40 EDAB Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3cc(C)n[nH]3)C2=O)c1 71886682 CCNCGNIFUNYPEO-CYBMUJFWSA-N 341.371 1.870 0 40 EDAB COc1ncc(CN2CCC[C@@H](Cc3ccc(N(C)C)nn3)C2)cn1 72369276 WWJWMWSDGYMZLJ-AWEZNQCLSA-N 342.447 1.796 0 40 EDAB C[C@H](N)C(=O)N(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 79393198 YIFNTHKOAWQHBC-GOEBONIOSA-N 345.443 1.983 0 40 EDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(F)cc1 45896099 IWPNWMXFHKJOOU-ZDUSSCGKSA-N 333.323 1.291 0 40 EDAB O=C(c1c[nH]c(=O)[nH]1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 238874932 NUPPYNADOSDEBY-SECBINFHSA-N 342.277 1.410 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccccc1OC(F)F 225714127 RALRHHSCMSKXTK-NOOOWODRSA-N 325.267 1.881 0 40 EDAB C[S@](=O)c1ccc(CNC(=O)N[C@H]2CCN(CC3CC3)C2)cc1 80146244 WCPBKAHCROZZRE-NPMXOYFQSA-N 335.473 1.708 0 40 EDAB COc1ccc(CN(C(C)=O)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 222973600 MDVJHUHLMOYNTC-DYVFJYSZSA-N 334.416 1.727 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)O)c1)C2 225586683 IPKQWRRGUJNWEV-GFCCVEGCSA-N 349.412 1.491 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1 85470904 XFCNMPIYAOYDFM-DZGCQCFKSA-N 332.448 1.692 0 40 EDAB Cn1cnc2cc(C(=O)OCc3ncn(-c4ccccc4)n3)cnc21 195567259 YSZSWALHBVKOBW-UHFFFAOYSA-N 334.339 1.906 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@@H]2O1 96065497 GWVKLZQXRCMBNM-SZMVWBNQSA-N 344.459 1.595 0 40 EDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)c2ccnnc2)cn1 96200265 YNCRCYVEWONWOG-DLBZAZTESA-N 341.415 1.463 0 40 EDAB CN(C)C[C@@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1 96188241 CIXUVXZXFZORTE-AWEZNQCLSA-N 334.445 1.265 0 40 EDAB COc1ccc(CN2CCC3(CC2)C(=O)NCCN3CC2CC2)cc1 96230191 GSDUKRFLHISAJE-UHFFFAOYSA-N 343.471 1.872 0 40 EDAB Cc1nc2ncnn2c(NCC(C)(C)CCS(C)(=O)=O)c1C 96419439 AWDILXXHWOUTCO-UHFFFAOYSA-N 325.438 1.614 0 40 EDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)c1ccnc(C3CC3)c1)C2 578368247 IIDGBTMIFXZWLC-HNNXBMFYSA-N 340.427 1.744 0 40 EDAB O=C(c1cccnc1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 618254079 BWECLYLRXASDBF-GFCCVEGCSA-N 349.188 1.928 0 40 EDAB COc1cccc(CC(=O)N2C[C@@H]3C[C@@H](c4nc(C)n[nH]4)O[C@@H]3C2)c1 96045882 VROVITIGTMCNCG-CWRNSKLLSA-N 342.399 1.653 0 40 EDAB CCS(=O)(=O)N[C@H]1COCCC12CCN(Cc1ccoc1)CC2 96206681 MRVUCYDFSHCEST-HNNXBMFYSA-N 342.461 1.590 0 40 EDAB CCS(=O)(=O)N1C[C@@H](OCc2ccccn2)[C@@H]2OCCC[C@@H]21 96058161 WGQMPMFJBACSSE-RRFJBIMHSA-N 326.418 1.180 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cc(C(=O)O)sc2C)C1 579484624 SJLBPFACSZQISV-NSHDSACASA-N 332.447 1.268 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Cn2cccn2)cc1 583616136 MWBMSCIYWCYOFX-WMZOPIPTSA-N 329.400 1.790 0 40 EDAB CCN1CCN(C(=O)[C@H](C)c2cccnc2)C[C@H]1c1nccn1C 583621477 QTFWMFMPGHLSII-ZBFHGGJFSA-N 327.432 1.824 0 40 EDAB CNC(=O)[C@H](Cc1ccccc1)NC[C@@H]1CCO[C@H]1c1ccnn1C 583616779 QSTUHKKJGACMPM-XYJFISCASA-N 342.443 1.445 0 40 EDAB COc1c(CNC[C@@H]2CCCN(C)[C@H]2c2cncn2C)c(C)nn1C 583616510 DLMFOVFHNXYMIS-WMLDXEAASA-N 346.479 1.643 0 40 EDAB C[C@H](NC(=O)c1cccc(CN2CCOCC2)c1)[C@H]1CCCCN1 583651853 UGUYWYWETADBCY-MAUKXSAKSA-N 331.460 1.779 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CCO1 257258895 KVYWLPORRBHSJE-AWEZNQCLSA-N 338.371 1.608 0 40 EDAB Cc1cc(-c2cc(C3CCN(S(=O)(=O)N(C)C)CC3)ccn2)[nH]n1 257284697 PDVZRNLNCQUJRH-UHFFFAOYSA-N 349.460 1.766 0 40 EDAB O=C(c1nn(-c2ccc(F)cc2)cc1O)N1CC[C@@]2(CCNC2)C1 585095630 LBJUXPQVQZYZNW-QGZVFWFLSA-N 330.363 1.543 0 40 EDAB CN1CC[C@](C)(C(=O)NCc2nccn2CCc2ccccc2)C1=O 585121216 ISCOCTOWRFJSDG-LJQANCHMSA-N 340.427 1.610 0 40 EDAB CCc1cc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)no1 257336623 YPGLLVYBOBQTIW-QGZVFWFLSA-N 345.403 1.131 0 40 EDAB CO[C@H]1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@@]12CCCO2 257220116 DJPKFAYMZOQNQQ-JSGCOSHPSA-N 347.337 1.698 0 40 EDAB O[C@@H]1[C@H](Oc2cccc(F)c2)CC[C@@H](NCc2cncs2)[C@H]1O 257236632 HDAMTFMRCYKRAV-KLHDSHLOSA-N 338.404 1.704 0 40 EDAB CC1(C)Oc2cc(O)ccc2[C@H]2O[C@H]3CCCN(CC(N)=O)[C@H]3C[C@@H]21 257277855 NZTXSRNEFCFSJC-YRBFXIGRSA-N 346.427 1.959 0 40 EDAB CN(C)S(=O)(=O)N1CCC(Cc2ccnc(-c3cc[nH]n3)c2)CC1 257243936 IJESPRYEFTYREE-UHFFFAOYSA-N 349.460 1.533 0 40 EDAB CC(=O)N1CCC[C@@H](Cc2cncc(-c3cnc4ncccn34)n2)C1 257318224 VNAGDRVIYUFDMY-AWEZNQCLSA-N 336.399 1.987 0 40 EDAB COc1cccc(CC(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)c1 257329607 XKSBLZOSTUBSMF-QGZVFWFLSA-N 327.384 1.936 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(-c3cncn3C)n2)C1 257285859 PJEYVFPNKUGQDU-ZDUSSCGKSA-N 349.460 1.468 0 40 EDAB Cc1csc(C(=O)NCCn2nc(-c3ccccn3)n(C)c2=O)c1 85470716 AAFFKFMSYIVPMU-UHFFFAOYSA-N 343.412 1.444 0 40 EDAB Cc1n[nH]c(C)c1-c1nccnc1C1CCN(S(C)(=O)=O)CC1 257296145 RBLFBASKRVDBHW-UHFFFAOYSA-N 335.433 1.623 0 40 EDAB Cc1nnc(NS(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)s1 252498738 RJXAOEGZYYQXTB-ZCFIWIBFSA-N 340.386 1.367 0 40 EDAB Cc1cc(-c2ccc(CC3CCN(S(C)(=O)=O)CC3)cn2)[nH]n1 257282775 OVFPYEOKJBJAKU-UHFFFAOYSA-N 334.445 1.994 0 40 EDAB O=C(O)c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)nc1 1602326845 CVMMKGSJAONBTQ-UHFFFAOYSA-N 331.309 1.206 0 40 EDAB CN(CC(N)=O)C[C@@H]1CN([C@H]2CCc3c(Cl)cccc32)CCO1 282227079 ZBORZYGPUOFVGM-WBMJQRKESA-N 337.851 1.445 0 40 EDAB CNc1cc(N2CCC[C@H]2CNc2cc(C(=O)OC)ccn2)ncn1 603294142 XXTCTSLTZANLPC-ZDUSSCGKSA-N 342.403 1.781 0 40 EDAB CC(C)N1CCN([C@@H]2CCN(C(=O)c3nc[nH]c4nccc3-4)C2)CC1 597378491 GOEGOILXBVKRHJ-CQSZACIVSA-N 342.447 1.150 0 40 EDAB CC(C)(C)OC(=O)CNC(=O)c1nc(C(F)(F)F)n2ccncc12 1615606529 ZWZIMANWKZBHLC-UHFFFAOYSA-N 344.293 1.820 0 40 EDAB CN(c1nnnn1Cc1ccccc1CN1CCCC1=O)C1CC1 1616035983 CQEIFROUEXTZKT-UHFFFAOYSA-N 326.404 1.442 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CC(OCC(F)(F)F)C1 390832385 ZDNRVYIAXYCIRZ-UHFFFAOYSA-N 326.278 1.671 0 40 EDAB Cc1cc(C)n([C@H]2CCCN([C@H]3CCCCN(CC(=O)O)C3=O)C2)n1 643874721 BBKKPXNPQVOOEA-HOTGVXAUSA-N 348.447 1.603 0 40 EDAB CCS(=O)(=O)NC[C@H]1CCn2nccc2CN1CC1CCC1 585096773 CPJOCXRWOXGCFB-CQSZACIVSA-N 326.466 1.197 0 40 EDAB CC1(C)C[C@]2(CCCN2C(=O)CCCn2cccn2)[C@H](CC(N)=O)O1 585287917 HTGUPKAXLSJTGL-KBXCAEBGSA-N 348.447 1.467 0 40 EDAB O=C(c1cc(C2CC2)on1)N1CC(F)(F)C[C@]2(CCNC2=O)C1 585093150 FLRPAPLRZJGNPH-CQSZACIVSA-N 325.315 1.540 0 40 EDAB Cc1nc(/C=C/C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)cs1 585290702 UHYIFODDLQEPOX-JTWJQQFASA-N 335.473 1.959 0 40 EDAB Cn1cc(NC(=O)CN2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)cn1 585277477 VMHKOSUQNWHXCN-RHSMWYFYSA-N 346.406 1.423 0 40 EDAB CCCC(=O)N1CCn2cc(C(=O)NCc3cccnc3)nc2[C@H]1C 585096260 CZVVIAPOVZGPOC-CYBMUJFWSA-N 341.415 1.911 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(Cc2cccnc2)CC1 70883385 ZKQFZODCBMOHNX-RDJZCZTQSA-N 333.432 1.310 0 40 EDAB COC(=O)C[C@@H](C)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 72280809 ZQAQWKRGEWPIOK-LLVKDONJSA-N 335.356 1.489 0 40 EDAB Cc1cccc(CS(=O)(=O)CC(=O)NCCCOC(C)C)c1 36392198 JJRSWZJQPVLGDD-UHFFFAOYSA-N 327.446 1.841 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)N3CCCc4ccccc43)cnc21 44894168 PWNIMLMAGDOFJH-UHFFFAOYSA-N 337.383 1.500 0 40 EDAB COc1ccc(CC(=O)N2CCN(Cc3cccnc3)CC2)cc1 54723109 VNPWSZDSFOUYPC-UHFFFAOYSA-N 325.412 1.977 0 40 EDAB CS(=O)(=O)CCSc1nnc([C@@H]2COc3ccccc3O2)o1 57850335 DGUGLKPLAWELKW-NSHDSACASA-N 342.398 1.719 0 40 EDAB CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)N(C)[C@H](C)C1CC1 106650634 GNMXUMOPHZWCAE-DGCLKSJQSA-N 349.522 1.203 0 40 EDAB Cc1cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)sc1Br 92006856 BRIQQWKPBKOSHZ-PSASIEDQSA-N 333.251 1.894 0 40 EDAB COc1ccc(Cl)cc1C(=O)NC1CCN(S(C)(=O)=O)CC1 40497277 JMFZAAUFMUNLJK-UHFFFAOYSA-N 346.836 1.502 0 40 EDAB CN(C)c1cc(CNS(=O)(=O)c2cc(F)cc(F)c2)ccn1 40512771 IPWWXENKFOIVBK-UHFFFAOYSA-N 327.356 1.904 0 40 EDAB C[C@H](OC(=O)C1CCN(C(N)=O)CC1)C(=O)N[C@H](C)c1ccccc1 12824818 YJSXQDXAHWETOF-OLZOCXBDSA-N 347.415 1.586 0 40 EDAB Cc1c([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)n2c(nc1=O)CCC2 19554861 XZUUBTDTMPQNBE-CYBMUJFWSA-N 341.415 1.251 0 40 EDAB CCN1CCN(c2cc(CNC(=O)C(F)(F)Cl)ccn2)CC1 152998183 QLEFLLSZDYPYND-UHFFFAOYSA-N 332.782 1.671 0 40 EDAB Cc1cc(N(C)C)nc(CC2CCN(CC3(O)CCOCC3)CC2)n1 607853157 FMEYRNXDQZQSOK-UHFFFAOYSA-N 348.491 1.647 0 40 EDAB Cc1cccc(N2C[C@@H](C(=O)Nc3nnn(C)c3C)CC2=O)c1C 519810452 FCUDARBYNQGYPP-ZDUSSCGKSA-N 327.388 1.732 0 40 EDAB COC(=O)[C@H]1CN(C(=O)c2ccc(CO)o2)C[C@@H]1c1ccc(F)cc1 12157201 ZCIUDWJXKUZIDA-CABCVRRESA-N 347.342 1.940 0 40 EDAB Cc1cnc(N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)nc1 1888930552 DFCQVERFXMIEBG-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)[C@H]1CCOC1)C2 1565555014 NTUQMHRHPRTRGE-GUYCJALGSA-N 349.456 1.034 0 40 EDAB CCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O 353661 WITGYNHPMCOWMR-UHFFFAOYSA-N 325.372 1.377 0 40 EDAB CCNC(=O)C(=O)NCCCCN1CCO[C@H](c2ccccc2)C1 17296709 LBLJKEMXKWVNLV-INIZCTEOSA-N 333.432 1.092 0 40 EDAB CCN1CCN(C(=O)CCn2c(=S)[nH]c3ccccc3c2=O)CC1 23212052 UAZQEFGNLRIUHW-UHFFFAOYSA-N 346.456 1.613 0 40 EDAB COc1cncc(O[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 225392550 GEJFJXXMFOECBW-GFCCVEGCSA-N 343.339 1.507 0 40 EDAB O=C(CCCC(=O)N1CC(CN2C(=O)COC2=O)C1)c1ccccc1 575616517 MUKPLNYEYLRMDA-UHFFFAOYSA-N 344.367 1.477 0 40 EDAB CC(C)C[C@H](CNC(=O)c1cn2ccccc2n1)N1CCOCC1 40047485 OAYSIYYARJOMMV-OAHLLOKOSA-N 330.432 1.811 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc2cccnc12 30674838 MPDWWMHORXOFHP-UHFFFAOYSA-N 346.346 1.877 0 40 EDAB Cc1cccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 100646819 FHTFXOAUNYOXMX-APDPGRRMSA-N 329.352 1.674 0 40 EDAB C[C@H]1CN(c2ccc(C(=O)NCCCn3cccn3)cn2)C[C@H](C)O1 40512473 PVYSNOQWFLVTJV-GJZGRUSLSA-N 343.431 1.712 0 40 EDAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)N(C)c3ccccc3)nn12 20894627 OTRPEDSDHZRIQT-LBPRGKRZSA-N 339.355 1.641 0 40 EDAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)c2ccccc12 32415161 IJMLXFFLDNQFJV-CQSZACIVSA-N 348.424 1.877 0 40 EDAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc[nH]c1=O 32855816 OBLZESAZLDBCQG-UHFFFAOYSA-N 337.261 1.366 0 40 EDAB O=C(CCN1CCN(C[C@H](O)c2ccccc2)CC1)NC1CCCC1 69921754 CZKOKGUIRVHMRT-IBGZPJMESA-N 345.487 1.787 0 40 EDAB CC(C)n1nc2c(cc1=O)CN(Cc1nnc(C3CC3)n1C)CC2 76064968 MJJBBSZJZSBRFP-UHFFFAOYSA-N 328.420 1.388 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2Cc3ccccc3O2)cc1 33112957 MGQNVAOXXKWOTK-AWEZNQCLSA-N 346.408 1.328 0 40 EDAB Cc1ccc([C@@H]2CN(CCC(=O)N3CCOCC3)CCO2)c(C)c1 76089526 VVBCCDNRXMQACM-SFHVURJKSA-N 332.444 1.926 0 40 EDAB NC(=O)CN1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 52983978 MOFGRNIFZXLTSL-UHFFFAOYSA-N 348.790 1.238 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 6305609 IBFKGMSGUGDESQ-ATNYBXOESA-N 327.336 1.058 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)NCCCc2ccc(Cl)cc2)C1 71897716 QYQYXYILQNERLO-MRXNPFEDSA-N 338.883 1.818 0 40 EDAB COc1ccc(CCNC(=O)CCNc2ncnc3[nH]cnc23)cc1 12296325 IFXQLYFCBKQVDM-UHFFFAOYSA-N 340.387 1.522 0 40 EDAB biogenic O=C(O)c1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)c1 6061407 GCVLZCXEBPDCAV-CQSZACIVSA-N 349.364 1.359 0 40 EDAB C[C@@]1(NC(=O)c2cc(Cl)c3c(c2)OCCO3)CCS(=O)(=O)C1 22550116 GDMVTXCGHQBAFK-CQSZACIVSA-N 345.804 1.418 0 40 EDAB CCN(CC(=O)NC)S(=O)(=O)c1ccccc1OC(F)(F)F 42169788 GBVLXBXFNKARRN-UHFFFAOYSA-N 340.323 1.342 0 40 EDAB Cc1nc(CNC(=O)CCNS(=O)(=O)c2ccccc2)cs1 53930283 FHTFRHOHAMKWMP-UHFFFAOYSA-N 339.442 1.436 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O 42533944 HYVNAOBGUYQUQN-DZGCQCFKSA-N 326.400 1.979 0 40 EDAB O=C(NCc1cccs1)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 42759544 IDSRTKUWPCESPG-UKRRQHHQSA-N 339.461 1.285 0 40 EDAB O=C1C[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)n2ncnc2N1 9168810 CNNWYGUCETWWAJ-SECBINFHSA-N 341.249 1.699 0 40 EDAB CCOc1ccc(Cl)c(C(=O)N2CCN(c3ncccn3)CC2)n1 55092599 QFWURUMULUMCQX-UHFFFAOYSA-N 347.806 1.886 0 40 EDAB Cc1c(C(=O)NC2CCN(CC(N)=O)CC2)sc2ccccc12 43122290 ZFGVKZVHHGJWEY-UHFFFAOYSA-N 331.441 1.889 0 40 EDAB COc1cc(C(=O)NCc2nnc3n2CCC3)cc(Cl)c1OC 24756883 IFHBWHZKNXXEHL-UHFFFAOYSA-N 336.779 1.825 0 40 EDAB C[C@@H](C(=O)N1CCOCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 71892913 DGBSDQYMKHBLCJ-AWEZNQCLSA-N 342.443 1.990 0 40 EDAB C[C@@H](O)CN1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 71877171 MVMKQWFRORQBHG-IUODEOHRSA-N 343.265 1.481 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CCNC(=O)c1ccco1 71847412 DJEACNKJMMWFBC-AWEZNQCLSA-N 342.351 1.530 0 40 EDAB CCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CC(=O)N(CC)C1 57314474 GKAMOBNVWAASFV-OAHLLOKOSA-N 331.416 1.020 0 40 EDAB NC(=O)C1CCN(C(=O)CNC(=O)c2ccc3ccccc3c2)CC1 26536044 LPGYMXAZVYWRFW-UHFFFAOYSA-N 339.395 1.294 0 40 EDAB OCCN(Cc1ccccc1)C[C@H](O)COc1ccc2c(c1)OCO2 3253280 MXAXMCSGPCUWBF-INIZCTEOSA-N 345.395 1.650 0 40 EDAB COC(=O)CNC(=O)Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 44586305 BFXGCHJRMMGEBO-ZDUSSCGKSA-N 330.384 1.813 0 40 EDAB CC(C)C[C@@H](C(=O)N1CCOCC1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100972096 JMPKMGUKLHYPQY-QXKUPLGCSA-N 346.427 1.067 0 40 EDAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)N1CCNC1=O 27574525 WMKWKLMZOSHBNB-UHFFFAOYSA-N 345.399 1.712 0 40 EDAB CCn1cc(Br)cc1C(=O)N1CCC[C@H]1C(=O)NC 37846398 AICAJTREBVCXCR-JTQLQIEISA-N 328.210 1.621 0 40 EDAB CCN1C[C@H](CN(C)C(=O)C2=NN(C)C(=O)CC2)Oc2ccccc21 44890560 RCLTXZZYFYRNHK-ZDUSSCGKSA-N 344.415 1.341 0 40 EDAB COc1cccc([C@H](NC(=O)NC[C@H]2CCOC2)c2nccn2C)c1 48281821 NTOWCCSHCREUOE-CJNGLKHVSA-N 344.415 1.854 0 40 EDAB CON(C)S(=O)(=O)c1cccc(C(=O)Nc2c(C)noc2C)c1 58230888 HKCLKHCKEICVEG-UHFFFAOYSA-N 339.373 1.726 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)OCc1ccccc1 58323993 GUQFXTXXTZUPEI-GXTWGEPZSA-N 333.388 1.025 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNC1CCN(Cc2ccncc2)CC1 58393341 BUKWRNGBBUZSLQ-UHFFFAOYSA-N 342.491 1.944 0 40 EDAB C[C@@H](NC(=O)Cn1c(-c2ncccn2)noc1=O)c1ccccc1 58306756 HHXKAULJATZKPA-LLVKDONJSA-N 325.328 1.171 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)NCCNC(=O)OC(C)(C)C)cc1 58324493 HNBUVEOCRDKUJC-JXMROGBWSA-N 347.415 1.700 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC 27931794 VCNIETBDFFNCFW-RYUDHWBXSA-N 329.418 1.810 0 40 EDAB CN(C)Cc1ccccc1CNS(=O)(=O)c1ncn(C)c1Cl 27960476 VVBJWBPVOSSKCJ-UHFFFAOYSA-N 342.852 1.614 0 40 EDAB O=C(NCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(F)cc1 45085219 OOZJNAGXPLZBDZ-UHFFFAOYSA-N 333.407 1.642 0 40 EDAB CN1CCN(C2=Nc3ccccc3N=C(N3CCN(C)CC3)C2)CC1 103537605 WJRMOKYTESYRBS-UHFFFAOYSA-N 340.475 1.645 0 40 EDAB in-vitro Cc1c(C)c(C)c(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c(C)c1C 58406042 KLOULBIYMNEUGT-MRXNPFEDSA-N 340.489 1.838 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCCO1 28326859 IOXJJSHFNKJZJH-AAEUAGOBSA-N 327.402 1.694 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)NCc2ccc(F)cc2)cn1 10991909 FDWXFFUBPKASOU-UHFFFAOYSA-N 346.362 1.345 0 40 EDAB C[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 45654946 DWPFHFXZBVNJFB-VHSXEESVSA-N 332.372 1.760 0 40 EDAB Cc1nn(C)c2sc(C(=O)N3CCN(c4ncccn4)CC3)cc12 11430603 QHKVTCMELYZSKB-UHFFFAOYSA-N 342.428 1.696 0 40 EDAB CNC(=O)CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 36811523 HJXKADAYCGCCFI-JTQLQIEISA-N 327.793 1.005 0 40 EDAB O=c1c(N2CCOCC2)nc2ccccc2n1C[C@H]1CCCCO1 48332031 MDTMDBSOAGUOJJ-CQSZACIVSA-N 329.400 1.802 0 40 EDAB Nc1nccnc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 11740562 YWTQWKRQPJAJLU-GFCCVEGCSA-N 325.372 1.550 0 40 EDAB O=C(NCCCO)C(=O)NCC(c1ccccc1)c1ccccc1 408708127 UYVLNGOPOUGHNM-UHFFFAOYSA-N 326.396 1.433 0 40 EDAB C[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 46254183 WZMGRYGYRXSPSI-RYUDHWBXSA-N 332.356 1.016 0 40 EDAB C[C@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)NC(N)=O 12977888 XPMIPNZLJTUVOY-JTQLQIEISA-N 342.355 1.101 0 40 EDAB O=C1CSc2ccc(C(=O)NCCNC(=O)c3ccco3)cc2N1 12926305 HNTSAYKDCQBWSB-UHFFFAOYSA-N 345.380 1.484 0 40 EDAB CC(C)(C)C(=O)NCCC(=O)Nc1ncn(Cc2ccccc2)n1 64808524 SGCUOMNOMUSNMH-UHFFFAOYSA-N 329.404 1.817 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCC(=O)NC1CCCC1 13731090 OSSNJGWZBPCKDH-UHFFFAOYSA-N 342.399 1.031 0 40 EDAB CC1(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)Cc2ccccc2C1 92613931 OCNUBWONFGZPOO-HNNXBMFYSA-N 336.457 1.332 0 40 EDAB O=C(CCc1nc(-c2nc[nH]n2)no1)NC[C@@H]1C[C@@H]1c1ccccc1 96405489 INXAPTLUNIJQHA-QWHCGFSZSA-N 338.371 1.707 0 40 EDAB CCn1c(=O)n(CC(=O)NCc2ccc(OC)nc2)c2ccccc21 14801186 JFSSXZLWXZIDNJ-UHFFFAOYSA-N 340.383 1.543 0 40 EDAB CCN(CC)S(=O)(=O)CCNC(=O)c1c[nH]c2ccc(C)cc12 97235840 QIJLGNSWXCEXHS-UHFFFAOYSA-N 337.445 1.878 0 40 EDAB Nc1cc(N)nc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n1 6830481 DWXLVXGIMOMFBL-AWEZNQCLSA-N 345.428 1.333 0 40 EDAB O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2)[nH]c1=O 72451326 DPTJCYCUKGBQAH-UHFFFAOYSA-N 327.384 1.104 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 7131871 HGNBXHXGSSMNGA-INIZCTEOSA-N 339.342 1.504 0 40 EDAB CCc1ccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 67557438 PAOGHRISJIDSSK-CQSZACIVSA-N 325.434 1.795 0 40 EDAB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)N2CCNC2=O)n1 7448255 FARXSFAOFHOYSG-QMMMGPOBSA-N 343.430 1.281 0 40 EDAB CCOC(=O)C1=C(CSc2cccc[n+]2[O-])NC(=O)N[C@@H]1CC 7507447 CSLCTSFSCNXEAD-SNVBAGLBSA-N 337.401 1.321 0 40 EDAB Cc1cnc(CCNC(=O)N2CCC(CC(=O)N(C)C)CC2)s1 96004618 ZNSKFLBCVXQIRH-UHFFFAOYSA-N 338.477 1.894 0 40 EDAB CNC(=O)NC(=O)[C@H](OC(=O)Cc1csc(C)n1)c1ccccc1 7783683 UPBXSIHBJLZQKU-CQSZACIVSA-N 347.396 1.734 0 40 EDAB COCCOCC(=O)N(CCN(C)C)Cc1ccc(Cl)cc1 68476141 UQMRSQOPZJGRPH-UHFFFAOYSA-N 328.840 1.893 0 40 EDAB COC(=O)N1CCCN(Cn2nc(C)c(Br)c2C)CC1 68617904 QDZXFMFYTVNWTC-UHFFFAOYSA-N 345.241 1.994 0 40 EDAB COc1ccccc1C(=O)Nc1ccc(OC)c(S(N)(=O)=O)c1 7988587 GOIQPPDQHYWZHD-UHFFFAOYSA-N 336.369 1.604 0 40 EDAB CON(C)S(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1 8007395 JKGBHLVAUFHAIS-UHFFFAOYSA-N 326.418 1.931 0 40 EDAB O=C(CCc1n[nH]c(=O)[nH]c1=O)NCC1(c2cccs2)CCCC1 69511684 QQPCQYTVDGXVJJ-UHFFFAOYSA-N 348.428 1.081 0 40 EDAB Cn1c(CCNC(=O)CNC(=O)C2CCCC2)nc2ccc(F)cc21 69595720 CDQVCFXNTOTISQ-UHFFFAOYSA-N 346.406 1.678 0 40 EDAB Cn1cc(CN2CCCN(C(=O)CCCc3ccccn3)CC2)cn1 69697889 VNADLBCWZIJINC-UHFFFAOYSA-N 341.459 1.872 0 40 EDAB C[C@@H](NC(=O)Nc1cccc(N2CCNC2=O)c1)[C@@H](C)n1cncn1 69698452 OTCHQWGYGRHBDY-VXGBXAGGSA-N 343.391 1.579 0 40 EDAB COc1cc(Cl)ccc1CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O 69953695 SVIPIQRGLUTGQZ-JTQLQIEISA-N 348.852 1.923 0 40 EDAB COc1ccccc1NC(=O)Cc1noc(CCc2cnn(C)c2)n1 69697756 JHWNHXFKGQUZEJ-UHFFFAOYSA-N 341.371 1.778 0 40 EDAB Cn1cc(CN2CCN(C[C@H](O)COc3ccccc3F)CC2)cn1 69879402 ZWAJCGSOYXCXSE-INIZCTEOSA-N 348.422 1.117 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)NC[C@@H](C)CN2CCOCC2)c1 71915570 HOJCOVHEVCNYTB-GDBMZVCRSA-N 348.443 1.741 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)CCO1 72050504 IHVZNFAMIQWAGU-AVGNSLFASA-N 342.317 1.522 0 40 EDAB C[C@@H](Nc1ccn(CCS(C)(=O)=O)n1)c1nc(C(C)(C)C)no1 84667612 UDTGXTKUFUPCKL-SNVBAGLBSA-N 341.437 1.781 0 40 EDAB C[C@@H]1CN(CCCc2ccccc2Br)C[C@@H](C(N)=O)O1 97086053 IZAMXQQDZAJEQG-RISCZKNCSA-N 341.249 1.956 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)c2cccc3[nH]ncc23)CC1 72285369 SMXBZQPZNGVFHF-UHFFFAOYSA-N 349.394 1.485 0 40 EDAB O=C(Cc1ccc(Br)s1)NCC(=O)Nc1cn[nH]c1 72284760 MKOAJVZIYJYNTR-UHFFFAOYSA-N 343.206 1.531 0 40 EDAB Cc1cnn(CCNCC(=O)N(C)C[C@H]2COc3ccccc3O2)c1 72253084 MZMCPUMKUORQBA-HNNXBMFYSA-N 344.415 1.080 0 40 EDAB CN1CCO[C@H](CN(C(=O)CCc2cnn(C)c2)c2nccs2)C1 95402125 FLIKXGOPKWUBPS-AWEZNQCLSA-N 349.460 1.173 0 40 EDAB CCc1nsc(N2CCN(C(=O)Nc3ccncc3F)CC2)n1 97135504 DPNRKJNPCFURLF-UHFFFAOYSA-N 336.396 1.989 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc3ccco3)C1)C2 97198694 WRHWVOYLMPPBHY-ZIAGYGMSSA-N 342.399 1.264 0 40 EDAB CCO[C@@H]1C[C@H](NC2CCN(S(C)(=O)=O)CC2)C12CCCC2 95400087 QLUKHVKZZLAMTA-LSDHHAIUSA-N 330.494 1.738 0 40 EDAB C[C@H]1CO[C@@H](CO)CN1c1ncnc2ccc(Br)cc12 95421452 HKUUZZATBTVFQA-GXSJLCMTSA-N 338.205 1.978 0 40 EDAB O=c1[nH]c(NCCCn2nc3n(c2=O)CCCC3)nc2ccccc12 97995083 QKCMOPNGTSRACJ-UHFFFAOYSA-N 340.387 1.120 0 40 EDAB C[C@@H](c1ccccn1)N1CCN(C(=O)N[C@H](C)Cn2cncn2)CC1 95943250 XIIDMPRHBBIYKF-CABCVRRESA-N 343.435 1.150 0 40 EDAB CCCS(=O)(=O)NC1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 95987175 ZSKNPZROEYAQKP-IRXDYDNUSA-N 338.473 1.439 0 40 EDAB C[C@@H](C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F)n1cccn1 75144288 NBUYURMPEWVIFS-JTQLQIEISA-N 340.380 1.472 0 40 EDAB Cc1nnc(CN(C)[C@@H]2CCN(C[C@H](O)c3cccc(F)c3)C2)n1C 89735962 HXCZCSCFSMTKGA-SJORKVTESA-N 347.438 1.502 0 40 EDAB CNC(=O)c1cccc(CCNC(=O)N2CCOC[C@H]2C2CC2)c1 89901330 XANZMHFUWUTMKV-INIZCTEOSA-N 331.416 1.409 0 40 EDAB Cn1cc(CN2CC3(C[C@H](CCOc4ncccn4)CCO3)C2)cn1 306143650 YHWYAZKGQBSGAU-OAHLLOKOSA-N 343.431 1.660 0 40 EDAB C[C@H]1CCCN(c2ccccc2OC[C@@H](O)CN2CCOCC2)C1 110694420 FCUSUYNDTORAFN-IRXDYDNUSA-N 334.460 1.995 0 40 EDAB O=C1CCC(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)=NN1 65624732 YJQJDOKOVYQSBI-UHFFFAOYSA-N 332.379 1.126 0 40 EDAB Cc1nnc(CNC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)o1 70655767 FOSNXFRRKXSJEU-UHFFFAOYSA-N 336.298 1.045 0 40 EDAB Cc1cc(C)nc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)n1 72202995 DKLCBTIYSXAHCE-LBPRGKRZSA-N 336.392 1.604 0 40 EDAB CN(C(=O)CNC(=O)c1cc(F)cc(F)c1)[C@H](CO)C(C)(C)C 126638195 CQQCIKORRKEDPT-CYBMUJFWSA-N 328.359 1.560 0 40 EDAB Cc1ccnn1CC(=O)N[C@@H]1CCCc2c1cnn2-c1ccncc1 71195707 NSRAVEWFOZULHJ-MRXNPFEDSA-N 336.399 1.966 0 40 EDAB CCCc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)n[nH]1 77614477 TWMYCVICACQOFK-CZUORRHYSA-N 327.388 1.915 0 40 EDAB COc1nn(C)cc1C(=O)Nc1cc(-c2cccs2)nn1CCO 42384598 HGLNXRPEWYUZFR-UHFFFAOYSA-N 347.400 1.598 0 40 EDAB COCCOc1ccc(F)cc1S(=O)(=O)N(C)c1cnccn1 225436811 VZRGRGMXLBOYDQ-UHFFFAOYSA-N 341.364 1.466 0 40 EDAB O=C(Nc1nc2c(s1)COCC2)c1cccc(-n2cnnn2)c1 75443177 OODNKNFCZQTTND-UHFFFAOYSA-N 328.357 1.444 0 40 EDAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCO 222828899 AYNOIYQBFWPFBW-GFCCVEGCSA-N 326.824 1.966 0 40 EDAB Cc1cccc(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)c1C 225717115 DREVFMZCAWEGTJ-UHFFFAOYSA-N 338.407 1.888 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NCC2(CO)CC2)[C@H]1c1cccc(F)c1 223226553 LHYVZFLXGKAPIA-GOEBONIOSA-N 334.391 1.624 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H]2C[C@@H](C)OC2=O)C1 195531494 XTBBDOKFCHAGGQ-IJLUTSLNSA-N 336.354 1.813 0 40 EDAB COCCO[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1Cc1cnn(C)c1 96200230 JBNQYGFYRZGCND-JKSUJKDBSA-N 332.404 1.237 0 40 EDAB COc1cc(N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)ncn1 96045821 GRABNOFAIMDAAT-SDDRHHMPSA-N 329.360 1.712 0 40 EDAB O=C(c1ccoc1)N1CCCn2nnc(CN3CCCCC3)c2C1 96084730 HOEFPNHBLMLLQA-UHFFFAOYSA-N 329.404 1.903 0 40 EDAB COc1ccc(Br)cc1CNS(=O)(=O)c1c[nH]cn1 95399088 WPNHMNDIDJDICV-UHFFFAOYSA-N 346.206 1.659 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(c2ncccn2)C1 96041278 YYZREHOUVNROIC-NWANDNLSSA-N 328.372 1.370 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2cnn(C)c2)N(C)C)c(F)c1 96410783 OBZNGUJQODFJJN-OAHLLOKOSA-N 347.394 1.225 0 40 EDAB O=C([C@@H]1CO[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C1)N1CCCO1 96205783 CBJNIMJEPXBXKV-YQQAZPJKSA-N 331.416 1.473 0 40 EDAB CS(=O)(=O)NCCCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 583615461 NENMOIPHOUGATN-CQSZACIVSA-N 326.466 1.365 0 40 EDAB CC(C)(C)C(=O)Nc1nc(CC(=O)NCCn2ccnc2)cs1 96430591 TYGLJMDMRAFWPT-UHFFFAOYSA-N 335.433 1.683 0 40 EDAB CN(C)C1(CS(=O)(=O)NCc2noc(-c3cccs3)n2)CC1 583651772 SGUCOUZRUOTDFL-UHFFFAOYSA-N 342.446 1.312 0 40 EDAB Cc1nc(CN2CC[C@]3(CCN(C(=O)[C@@H]4CCOC4)C3)C2=O)cs1 96159470 UWRYFZDSNCFHRH-CXAGYDPISA-N 349.456 1.439 0 40 EDAB O=C(CN1CCO[C@H](c2nccs2)C1)NCCc1ccsc1 97200014 SEVJLDRCQKTEEM-ZDUSSCGKSA-N 337.470 1.937 0 40 EDAB O=S1(=O)NCC2(CCN(CC3CC3)CC2)COc2ccccc21 96037121 GMNLZTCJQMYEPX-UHFFFAOYSA-N 336.457 1.850 0 40 EDAB CO[C@@](C)(C(=O)NC[C@H](CO)Cc1cnn(C)c1)c1ccccc1F 582801299 SHYFWYNGFSPTCM-RDTXWAMCSA-N 349.406 1.388 0 40 EDAB CC(=O)NCC(=O)N1[C@H](CNC(=O)OC(C)(C)C)CC[C@@H](C)[C@@H]1C 585126284 VDHPLJYXIYGBDZ-DYEKYZERSA-N 341.452 1.663 0 40 EDAB CCC1(NC(=O)c2cnc(C3=NC(=O)[C@](C)(C(C)C)N3)c(O)c2)CC1 585121558 SBMZMVOIAQPASE-KRWDZBQOSA-N 344.415 1.751 0 40 EDAB O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)N1CCCO1 585115776 RMUGTFGUKUGTDV-HXUWFJFHSA-N 344.336 1.915 0 40 EDAB C[C@@H]1CN(C)c2ccccc2N(C(=O)CCCN2C(=O)CNC2=O)C1 607916362 JDZJFGYWOLFLQW-CYBMUJFWSA-N 344.415 1.438 0 40 EDAB C[C@@H](Oc1cccc(F)c1)C(=O)NCCc1nnc2ccccn12 24572870 OXCYYZWJPVRAMV-GFCCVEGCSA-N 328.347 1.995 0 40 EDAB Cn1nccc1-c1ncccc1CC1CCN(S(C)(=O)=O)CC1 257331841 XUMFZGAIKGSVIM-UHFFFAOYSA-N 334.445 1.696 0 40 EDAB CNCC(=O)N1CCC[C@@](CCCc2ccncc2)(C(=O)N(C)C)C1 257227492 FPOFLSGOYRLEPN-LJQANCHMSA-N 346.475 1.321 0 40 EDAB CC(=O)N1CCCC[C@@H]2CN(C(=O)CCCn3ccnc3)CC[C@H]21 257248072 JBYKVYYUSOGNNP-IAGOWNOFSA-N 332.448 1.913 0 40 EDAB CC(=O)N1CCC[C@@H]1c1cncc(CN(C)C2CCN(C)CC2)n1 257314535 UXKMJZRVHPRWKI-GOSISDBHSA-N 331.464 1.686 0 40 EDAB Cc1cn(C)c([C@@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 257220498 DLBCOADGOADWLJ-CYBMUJFWSA-N 340.383 1.653 0 40 EDAB COC[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1c1cnn(C)c1 585655700 KQOADHKNYJPFOF-ZFWWWQNUSA-N 343.431 1.524 0 40 EDAB CCO[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2ccnn2C1 253383835 MSSSKAQJCVBKRS-INIZCTEOSA-N 349.456 1.708 0 40 EDAB Cc1cc(C(F)(F)F)nc(C2CCN([C@@H]3COC[C@@H]3O)CC2)n1 257268049 MJZYBDUQJMFZTP-NEPJUHHUSA-N 331.338 1.743 0 40 EDAB 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COc1cccc(-n2cc(NC(=O)[C@@H](C)OC[C@H]3CCCO3)nn2)c1 585140845 LQMAFAMCLBQDEH-IUODEOHRSA-N 346.387 1.799 0 40 EDAB CCc1oc2ccccc2c1CC(=O)N1CC(N2CC[C@H](O)C2)C1 585123789 PLRGTSZYHHZEPG-AWEZNQCLSA-N 328.412 1.815 0 40 EDAB COCCN1CC[C@]2(CN(C(=O)C3CC=CC3)CC(F)(F)C2)C1=O 585093093 BRVPLFHZTYPNKB-INIZCTEOSA-N 342.386 1.685 0 40 EDAB CC(=O)c1cc(C(=O)N2CC[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)n[nH]1 585108252 FZXCHEFYXYOITN-RHSMWYFYSA-N 346.431 1.185 0 40 EDAB CNC(=O)C[C@H]1CN(Cc2cc(OC)cc(OC)c2)Cc2ccnn21 585111714 GNJLASLVEPIEAQ-HNNXBMFYSA-N 344.415 1.593 0 40 EDAB Cc1cc(CNC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)no1 65538826 SKEGQQQFVLYHIM-UHFFFAOYSA-N 344.371 1.356 0 40 EDAB CNC(=O)C1CCN(C(=O)CN2CC[C@@H](c3ccccc3)C2)CC1 69653434 WHXCWEOLHNDOAE-QGZVFWFLSA-N 329.444 1.461 0 40 EDAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H](CO)Cc2ccccc2)C1 89942135 BLZWFZPRJGIRNK-SZMVWBNQSA-N 346.471 1.991 0 40 EDAB CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1ccc2c(c1)OCCO2 76041998 XDKKLRFUKQVYSG-CYBMUJFWSA-N 343.426 1.018 0 40 EDAB O=C(NCCc1nnc2n1CCC2)NC1(c2cccc(F)c2)CC1 86429743 OUMOSTLGQLACNL-UHFFFAOYSA-N 329.379 1.894 0 40 EDAB COc1cc(OC)cc(C(=O)NCC2(O)CSCCSC2)c1 1889045615 GCEMPPHKVDVYKV-UHFFFAOYSA-N 343.470 1.645 0 40 EDAB Cc1oc(-c2ccccc2)cc1C(=O)N[C@H](CCC(N)=O)C(=O)O 5536726 PKFASYYTBQFMPX-CYBMUJFWSA-N 330.340 1.704 0 40 EDAB CN(C)[C@H](CNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccco1 5935443 DDVNKJUABRAAKQ-MELADBBJSA-N 347.415 1.174 0 40 EDAB CCCc1cc(CNC(=O)c2cnc(N3CCOCC3)nc2)on1 12192299 HDOGJEDFYYVUDK-UHFFFAOYSA-N 331.376 1.184 0 40 EDAB Cc1nc(C)n(CCNC(=O)[C@@H]2ON=C(c3ccc(F)cc3)[C@@H]2C)n1 12195755 KLBWSIDIAVXKJU-MGPLVRAMSA-N 345.378 1.589 0 40 EDAB CN(C)c1nc(O)cc([C@H]2CCN(C(=O)CCc3ccno3)C2)n1 12406504 FKTAKTKRBCDKDU-NSHDSACASA-N 331.376 1.185 0 40 EDAB Cn1nccc1C(=O)N1CCC(c2noc(-c3ccccn3)n2)CC1 12668808 YDWIKCPYLSBBPV-UHFFFAOYSA-N 338.371 1.885 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCC(=O)OCc3ccccc3)nc2n1 15516265 FGIHFQBPFXQYBL-UHFFFAOYSA-N 339.355 1.214 0 40 EDAB Cc1ccnc(-n2cccc2CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)c1 19238220 FXUCZOMCLJQTCS-CGTJXYLNSA-N 326.444 1.820 0 40 EDAB O=C(c1cc2n(n1)CCCC2)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 225602542 MAJSVLKJJPSUNO-OAHLLOKOSA-N 342.443 1.860 0 40 EDAB Cn1ncnc1CN1CC[C@H](Cc2nc(-c3ccncc3)no2)C1 1888875898 DCUHKBYAVVOYMJ-GFCCVEGCSA-N 325.376 1.325 0 40 EDAB Cc1nc(N2CCO[C@H](C(=O)NC3CC3)C2)cc(C(F)(F)F)n1 1889065375 KYIUCIZAVVHIBW-JTQLQIEISA-N 330.310 1.288 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(c3ccn4nccc4n3)CC2)n1 1889133997 UJAKMISQZHYOMQ-UHFFFAOYSA-N 338.419 1.220 0 40 EDAB CCc1cc(C(=O)N2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)on1 2037984429 BCSSSNSEMLYWHX-SFHVURJKSA-N 349.431 1.869 0 40 EDAB Cc1nc(C)c(C(=O)N2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)o1 2037984893 QTUFQEGUKDSBKZ-SFHVURJKSA-N 349.431 1.924 0 40 EDAB Cc1cnc(C)c(OC2CCN(c3ccnc(C(N)=O)c3)CC2)n1 2086951535 PGNFTTWKZUTPGO-UHFFFAOYSA-N 327.388 1.635 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCCN([C@H]2CCOC2)CC1 1565523297 LEMHVGBEXZIYRQ-LBPRGKRZSA-N 346.399 1.450 0 40 EDAB CCOc1ccccc1C(=O)N[C@]1(C(F)(F)F)NC(=O)N(C)C1=O 3623289 YMQMVSWDCUUMAZ-ZDUSSCGKSA-N 345.277 1.255 0 40 EDAB COc1cccc(C(=O)NCCS(=O)(=O)NC2CCCC2)c1 5301905 KBJACOJYMDGTOH-UHFFFAOYSA-N 326.418 1.287 0 40 EDAB CCc1ccc(C(=O)N2CC[C@@H]3OCCN(CCOC)[C@H]3CC2)cn1 2055745786 AFJHKPYGSDUBNL-ROUUACIJSA-N 347.459 1.596 0 40 EDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)C2CC2)CC1 2055747728 QHKJFUSEHJBWLU-UHFFFAOYSA-N 331.416 1.624 0 40 EDAB O=C(N1CCC1)C1(n2cccn2)CCN(c2ncc(F)cn2)CC1 2055772295 RQPJYAFKZLAQSP-UHFFFAOYSA-N 330.367 1.040 0 40 EDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCCN(Cc3cn[nH]c3)C2)C1 2055835339 DJUNRNNIKDIDNP-KRWDZBQOSA-N 340.387 1.554 0 40 EDAB Cc1cc(NC(=O)CN2CC(c3nc(-c4cccnc4)no3)C2)no1 49483680 ZDBCAVUQDBJLAT-UHFFFAOYSA-N 340.343 1.466 0 40 EDAB Cc1nc(NCc2nc(-c3cc(C)on3)no2)c2cnn(C)c2n1 575616327 JSUZFCKQNHXSAK-UHFFFAOYSA-N 326.320 1.630 0 40 EDAB COc1ccccc1OCC(=O)N1CCC[C@H](Oc2ncccn2)C1 575612225 JOBDOFLRBUEJIZ-AWEZNQCLSA-N 343.383 1.934 0 40 EDAB CCOC(=O)c1c(N)n(CCC(=O)O)c2nc3ccccc3nc12 31807889 AWEHWQRBLPANOA-UHFFFAOYSA-N 328.328 1.818 0 40 EDAB CN(C)c1ccc(NC(=O)CN2C(=O)COc3ccccc32)cn1 30108598 QWBBSWPXCWHUAQ-UHFFFAOYSA-N 326.356 1.512 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C(N)=O)cc1C 30333036 IHLWXJUQHPFEGZ-ZDUSSCGKSA-N 326.418 1.422 0 40 EDAB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NS(C)(=O)=O)cc21 20178121 QDZFKDUVXPDOAK-UHFFFAOYSA-N 338.433 1.239 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H]1COc2ccccc2O1 31048030 WXNPXNPKAHZNGR-JSGCOSHPSA-N 342.399 1.937 0 40 EDAB CNC(=O)c1ccc(CN(C)[C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 50506862 MMACLQWODSISME-SOUVJXGZSA-N 347.459 1.502 0 40 EDAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(-n2cnnn2)c1 31241502 VOGBTMNOWDLDAS-CQSZACIVSA-N 337.339 1.232 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccccc3)on2)CC1 40497320 PFMSSICJPKLQEZ-UHFFFAOYSA-N 349.412 1.495 0 40 EDAB Cc1nc(CCNC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)cs1 40488970 WBUCHXIGVWJPBY-NSHDSACASA-N 345.424 1.924 0 40 EDAB Cc1[nH]c2c(C(=O)NCCCN(C)S(C)(=O)=O)cccc2c1C 40515366 SHOHVQXNZUHOAY-UHFFFAOYSA-N 337.445 1.796 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)Cc1ccccc1Cl 40528446 SXCRRUGWMAKDII-YPMHNXCESA-N 345.848 1.939 0 40 EDAB C[C@H](CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1)N1CCCC1 40522501 RWFLNWYKSPMGJO-GDBMZVCRSA-N 328.420 1.057 0 40 EDAB Cc1cc(C)cc(OCCN(C)C(=O)CN2CCC(C(N)=O)CC2)c1 51185973 XQBRVLMEZFFNEO-UHFFFAOYSA-N 347.459 1.338 0 40 EDAB CCN(CC)C(=O)Cn1ncn2nc(-c3ccccc3)cc2c1=O 21023236 URCRBOAVXDDMMW-UHFFFAOYSA-N 325.372 1.426 0 40 EDAB C[C@H](O)CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 78597062 OZMPFKAVLLAJHL-NKWVEPMBSA-N 335.223 1.126 0 40 EDAB Cc1c(CN(C)C(=O)Cn2ncc(Br)c2C)cnn1C 2777651 SXHVITDVGCYNBS-UHFFFAOYSA-N 340.225 1.655 0 40 EDAB O=C(c1[nH]nc2c1CCCC2)N1CCN(c2cc(Cl)ncn2)CC1 78997933 GFOMGEOXOVVKEU-UHFFFAOYSA-N 346.822 1.694 0 40 EDAB Cc1ccc(CC(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)s1 78900724 XGUWKPKHFKKMIX-LLVKDONJSA-N 332.429 1.827 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 53356355 GUYINMVUTAVHIM-UHFFFAOYSA-N 338.791 1.806 0 40 EDAB COc1cc(CO)cc(I)c1OCC(=O)O 4364783 SDQVPQKBSRGNEO-UHFFFAOYSA-N 338.097 1.256 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCC(F)(F)F 46915974 IURLNKCPZJOWON-QMMMGPOBSA-N 339.339 1.599 0 40 EDAB CCn1cnnc1CNC(=O)N(C)Cc1ccc2c(c1)OCCO2 46964921 CYJFQFDUZSLMBQ-UHFFFAOYSA-N 331.376 1.411 0 40 EDAB Cc1c(NCC(=O)Nc2cccc(F)c2)cccc1C(=O)NCCO 71922452 YZQLSVMDTSARDI-UHFFFAOYSA-N 345.374 1.907 0 40 EDAB CNC(=O)c1cccc(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 23135632 AYSJFGFNTSEWSM-MRXNPFEDSA-N 338.363 1.444 0 40 EDAB CC(C)(CNC(=O)c1coc2ccccc2c1=O)N1CCOCC1 23640633 YKYALDJRNLCRPQ-UHFFFAOYSA-N 330.384 1.634 0 40 EDAB CC(C)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 8058220 XFXKCPKICDLRKJ-UHFFFAOYSA-N 335.223 1.252 0 40 EDAB NC(=O)Nc1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)cc1 47384123 SHPFSBJEMLFBFY-UHFFFAOYSA-N 336.355 1.688 0 40 EDAB C[C@]1(C(=O)N2CCC3(CC2)OCCO3)Cc2ccccc2C(=O)O1 24998372 HEDANLNLRHIOFV-QGZVFWFLSA-N 331.368 1.524 0 40 EDAB Cc1c([C@@H](C)NC(=O)c2ccc(CS(C)(=O)=O)cc2)cnn1C 24999210 HJGPNDPODXTJHA-LLVKDONJSA-N 335.429 1.764 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN([C@H](C)C(=O)Nc3ncccn3)CCO2)n1 106665992 OZWQAHJJSWBZOY-CABCVRRESA-N 344.419 1.018 0 40 EDAB CC(C)N(CCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C1CC1 106653793 ZPHRUARKBVVKRV-HZPDHXFCSA-N 349.475 1.541 0 40 EDAB CCOC(=O)COc1cccc(NC(=O)CCNC(=O)[C@H]2C[C@H]2C)c1 25275431 RLVHJVLTFPNYOX-DOMZBBRYSA-N 348.399 1.729 0 40 EDAB COc1ccc2cc(CN(C)C(=O)CN(C)CC(N)=O)ccc2c1 47628744 WZGMRGWEIPUJJD-UHFFFAOYSA-N 329.400 1.224 0 40 EDAB COC[C@@H](C)NC(=S)N1CCN(CCn2c(C)ccc2C)CC1 25436783 ABWYAAWMVXBXQG-CQSZACIVSA-N 338.521 1.632 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 56073162 KOFHESWKPKGEEE-GFCCVEGCSA-N 348.371 1.864 0 40 EDAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 44718574 SPJMSUDDCQIBMW-RYUDHWBXSA-N 345.848 1.967 0 40 EDAB COc1cc(NC(=O)CCNC(=O)[C@H]2C[C@@H]2C)ccc1NC(C)=O 44772910 YSBKGCTYLGFNNA-GWCFXTLKSA-N 333.388 1.754 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O 10198446 YPHKROGAINOYEY-YPMHNXCESA-N 349.822 1.777 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NCCn2cnc3ccccc32)cc1 58157595 JKDPPCCGVPXRKN-UHFFFAOYSA-N 343.408 1.870 0 40 EDAB O=C(NCCCCOc1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 44895153 YXCQMRRASZIVMR-CYBMUJFWSA-N 344.408 1.471 0 40 EDAB CC1(C)NC(=O)N(CCCSc2nnc(-c3cccnc3)o2)C1=O 44919297 YZNLJDOBQVCIIO-UHFFFAOYSA-N 347.400 1.944 0 40 EDAB O=C(CCNc1ncccn1)N1CCN(Cc2ccccn2)CC1 44972446 MOLFEKDMTZCBDH-UHFFFAOYSA-N 326.404 1.018 0 40 EDAB O=C(CCNc1ncccn1)NCCc1ccn(-c2ccccc2)n1 58343042 XJWOYKGKBGVDOS-UHFFFAOYSA-N 336.399 1.823 0 40 EDAB Cc1noc(C)c1CC(=O)NCc1ccc(N2CCOCC2)nc1 48287782 XLODJBQXZNCGJQ-UHFFFAOYSA-N 330.388 1.382 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(N2CCOCC2)cc1 58426648 YKUCYYTWOWKNAF-ZFWWWQNUSA-N 331.416 1.249 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCCCn1cnc2ccccc21 48297604 WDIJUNHZGGTWGP-ZDUSSCGKSA-N 340.383 1.954 0 40 EDAB COc1ncccc1NC(=O)NC1CCN(c2ncccn2)CC1 48234584 KWPVVRRELDMJSG-UHFFFAOYSA-N 328.376 1.671 0 40 EDAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1 36624700 FWXIIPDENDQBCL-MRXNPFEDSA-N 345.443 1.565 0 40 EDAB Cn1nc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)c2ccccc2c1=O 3425143 IWWUXWPVZHGOPO-UHFFFAOYSA-N 348.318 1.069 0 40 EDAB Cc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)c(O)c1 3494529 VBKBJOUOZLJSNK-UHFFFAOYSA-N 332.312 1.476 0 40 EDAB COCCCCN1C(=O)[C@H](n2cnnn2)[C@H]1c1ccc(OC)cc1 62582214 CJOGTRMNTLJMLU-HUUCEWRRSA-N 331.376 1.233 0 40 EDAB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)NC(=O)NC(C)(C)C 3588061 DSAOUUKBFVNVJF-UHFFFAOYSA-N 348.447 1.798 0 40 EDAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN(C)CC2)nc1 12905424 CGHLPBDAVROUFZ-UHFFFAOYSA-N 340.493 1.641 0 40 EDAB CN1CC(=O)N(C[C@@H](O)COc2ccc(Br)cc2)C1=O 12997918 FFFKQVGUHPWLSB-SNVBAGLBSA-N 343.177 1.083 0 40 EDAB CC[C@@H]1CCCCN1C(=O)Cn1cnc2oc(C)c(C(=O)O)c2c1=O 13055963 JYKPRYVDZPBZKK-LLVKDONJSA-N 347.371 1.787 0 40 EDAB CN(C)C(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 13063297 NNGBFUAMIZRREK-UHFFFAOYSA-N 326.567 1.869 0 40 EDAB C[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(F)cc1 8993897 LBRRFCTXOOEWKQ-NSHDSACASA-N 341.342 1.706 0 40 EDAB CS(=O)(=O)c1ccc2nnn(OCCCOc3ccccc3)c2c1 8939187 CXRWQGQCGBITAJ-UHFFFAOYSA-N 347.396 1.733 0 40 EDAB C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F 83927629 IXMOVXKKXMPIRM-XVKPBYJWSA-N 342.314 1.483 0 40 EDAB O=C(COc1ccccc1P(=O)(O)O)NCCc1ccccc1 13629125 FRNXSTXSXYWTDK-UHFFFAOYSA-N 335.296 1.227 0 40 EDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1Cl 4386472 KINNRZYHGNJMTE-UHFFFAOYSA-N 343.774 1.637 0 40 EDAB O=C(NCCNC(=O)c1ccco1)c1cnc(-c2ccccc2)nc1 65402614 SCNJNOQUOPURCW-UHFFFAOYSA-N 336.351 1.896 0 40 EDAB C[C@@H](CC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 4412753 SISXUFPQMRMEBO-GXTWGEPZSA-N 339.413 1.027 0 40 EDAB CCc1ccc(CNC(=O)c2ccoc2CN2CCNC(=O)C2)s1 65536366 ZWFASWUMOKBZSD-UHFFFAOYSA-N 347.440 1.765 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(Cn2ccc(-c3ccsc3)n2)C1 65562269 BNIUQCDBTAGBPV-ZDUSSCGKSA-N 340.474 1.583 0 40 EDAB O=C(CCS(=O)(=O)Cc1ccccc1)NCCCn1ccnc1 6424036 JQSOIWJWHPNJOK-UHFFFAOYSA-N 335.429 1.395 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@H]4C(=O)NC[C@H]4[C@H]3C2)cc1 96058475 SXELEJLCKASJBN-MIGQKNRLSA-N 334.441 1.388 0 40 EDAB in-vitro O=C(CCN1CCC[C@H]1c1cccc2c1OCCO2)N1CCOCC1 66899185 PYEZFZLZCPWQNK-INIZCTEOSA-N 346.427 1.844 0 40 EDAB COc1ccc(Cl)cc1N1CCn2c1nc1c2c(=O)[nH]c(=O)n1C 4945156 NEFAKSKTEXMXCN-UHFFFAOYSA-N 347.762 1.237 0 40 EDAB CCc1nnc(NC(=O)c2sc3ncn(C)c(=O)c3c2C)s1 15584954 NDZWBCRGGCWKBF-UHFFFAOYSA-N 335.414 1.970 0 40 EDAB O=S1(=O)CC[C@@H](NCc2cc(Cl)c3c(c2)OCCCO3)C1 7984353 YDSJPLVHENPOLR-LLVKDONJSA-N 331.821 1.778 0 40 EDAB CC(C)NC(=O)CN(C)CC(=O)Nc1ccc(N2CCCC2)cc1 7906717 CVLWUCTYWYIQOA-UHFFFAOYSA-N 332.448 1.682 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cnc2ccccc2n1 8232997 NMKITVAJHRTHCK-QGZVFWFLSA-N 332.363 1.682 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1ccc(Cl)nc1 96428426 JEFAOQCGRWJFSD-VIFPVBQESA-N 342.852 1.995 0 40 EDAB Cc1cc(C)cc(OC[C@@H](O)CN2CCC(N3CCNC3=O)CC2)c1 69487759 FUXYOIUEEKCDBS-KRWDZBQOSA-N 347.459 1.533 0 40 EDAB O=C(C1CCOCC1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 69451866 VGHWKSTTZIWSRE-UHFFFAOYSA-N 344.337 1.571 0 40 EDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN[C@H](C)Cn1cccn1 69417280 FADNOUPVEUIPHT-KGLIPLIRSA-N 341.415 1.625 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCC[C@H](C(=O)Nc2nccs2)C1 69599554 RJXPLZHJJPDQOP-STQMWFEESA-N 336.461 1.805 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)Cn2cncn2)cc1C(F)(F)F 69698659 NACHCKZHYIMVSX-SNVBAGLBSA-N 348.350 1.972 0 40 EDAB C[C@@H](O)[C@@H]1CCCCN1Cc1cccc(S(=O)(=O)N(C)C)c1 71883602 LNQYYKOTCXJIGC-CJNGLKHVSA-N 326.462 1.672 0 40 EDAB COCc1nc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)cs1 71864709 KBTINLGPBBAFLH-UHFFFAOYSA-N 349.460 1.371 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](NCC(=O)Nc1ccnn1C(C)C)CC2 71871811 YHUBXXKHOCTIRA-CYBMUJFWSA-N 345.451 1.722 0 40 EDAB COC(=O)NC(=O)CN1CCN([C@@H](C)c2ccc(F)cc2F)CC1 69812544 RNKCRHORRMBJHO-NSHDSACASA-N 341.358 1.526 0 40 EDAB CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC1(c2ccccc2)CC1 69809422 FLJVPOUKHJEHJN-HIFRSBDPSA-N 338.473 1.798 0 40 EDAB CCOc1nnc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)s1 69876973 FISGVTAMZIFIJM-OAHLLOKOSA-N 348.472 1.788 0 40 EDAB Cc1cccc2nc(CNS(=O)(=O)c3c[nH]c4ncccc34)cn12 72285265 BLFMKOQWXYFOBU-UHFFFAOYSA-N 341.396 1.998 0 40 EDAB Cc1ccc(OCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1C 72269101 KGKQHJLCHBVVMT-ROUUACIJSA-N 332.444 1.740 0 40 EDAB Cn1cc(CNCc2ccc(N3CCCC[C@H]3CCO)nc2)cn1 97197975 AWSFQKQYLIKUJR-KRWDZBQOSA-N 329.448 1.846 0 40 EDAB COc1ncnc2c1CN(C[C@@H](O)COCc1ccccc1F)CC2 97200469 AKRDTDHQSDFTGJ-CQSZACIVSA-N 347.390 1.560 0 40 EDAB CCCc1n[nH]c([C@H]2CN(CCC(=O)Nc3cc(C)on3)CCO2)n1 84759014 DKEQWQKYGHJUNQ-GFCCVEGCSA-N 348.407 1.456 0 40 EDAB CC[C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@@H]1N1CCOCC1 84735962 KMQCECISOPQREI-CVEARBPZSA-N 334.464 1.703 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)C[S@@](=O)c2ccc3ccccc3c2)C1 95414515 ASZGAQSHZVXDBH-MYYSRTQBSA-N 344.436 1.671 0 40 EDAB CN(C[C@H]1CCC[C@@H]1O)C(=O)Cc1ccc(N2CCCC2=O)cc1 95438523 YOBCQFULSTWYBH-WBVHZDCISA-N 330.428 1.975 0 40 EDAB C[C@@H]1CN(C(=O)NOCc2cccnc2)CCN1CC(F)(F)F 95447411 CABRCTKNRCBTOS-LLVKDONJSA-N 332.326 1.791 0 40 EDAB CCCc1noc(CN2CCC(C(=O)Nc3ncccn3)CC2)n1 95952964 FROZOBPQTAUIMU-UHFFFAOYSA-N 330.392 1.663 0 40 EDAB COc1cc(CNC(=O)N2CCN(c3cnn(C)c3)CC2)ccc1O 74848160 SPOLREYHGHQFMG-UHFFFAOYSA-N 345.403 1.166 0 40 EDAB C[C@H](NS(=O)(=O)c1cnn(C)c1)[C@@H](O)c1ccc(F)c(F)c1 89598483 DCOVUAWCMFTZPG-ISVAXAHUSA-N 331.344 1.099 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(Cn2cccn2)c1 75106721 DNBKQKBOLJMFME-HNNXBMFYSA-N 327.388 1.674 0 40 EDAB C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1nnc2n1CCCC2 89913851 HYIMCBXHPADEHX-UWVGGRQHSA-N 331.342 1.428 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CNc1nc2c(cnn2C)c(=O)[nH]1 60381333 HPIZTOXGQFDBBM-GFCCVEGCSA-N 343.387 1.125 0 40 EDAB O=C(NCCc1cccs1)N[C@H]1CCCc2c1cnn2CCO 65433952 ZTOGKKGAUFFRNK-AWEZNQCLSA-N 334.445 1.856 0 40 EDAB COc1ccc(C(=O)N2Cc3ccnn3C[C@H](CN(C)C)C2)cc1 306142432 WZGFRZIDFYPBQU-CQSZACIVSA-N 328.416 1.726 0 40 EDAB Cc1cc(CNC(=O)N2C[C@H](c3cn(C)cn3)[C@@H](N)C2)ccc1F 1553425076 REGKLBVYKPVCJF-ZFWWWQNUSA-N 331.395 1.504 0 40 EDAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCc2nc[nH]c2C1 217792015 XZZHQACCJHJSER-CQSZACIVSA-N 341.415 1.063 0 40 EDAB C[C@@H](C(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1cccs1 78210611 LFZPNJGMWDNHBG-SNVBAGLBSA-N 327.431 1.731 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24536876 WTVOZJJJYZCEHA-LLVKDONJSA-N 325.324 1.802 0 40 EDAB Cc1nc(CCC(=O)O)cc([C@@H]2CCCCN2S(C)(=O)=O)n1 72363402 PYGHJFZGANUPDQ-ZDUSSCGKSA-N 327.406 1.289 0 40 EDAB CCCN1CCC(CNC(=O)N2CCN(c3cc(C)[nH]n3)CC2)CC1 187106584 KKUKVXPAEHTHHD-UHFFFAOYSA-N 348.495 1.672 0 40 EDAB O=C1NC[C@@]2(CCCN(C(=O)CCc3n[nH]c4c3CCCC4)C2)O1 72149076 CQUHSVSXZZTVBA-QGZVFWFLSA-N 332.404 1.322 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccnc2)cc1F 226686704 JARYFONWEMQIOC-UHFFFAOYSA-N 339.348 1.146 0 40 EDAB Cc1ccn(CC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c(=O)c1 194876989 JGFNICJSNDHEBD-IAGOWNOFSA-N 347.459 1.041 0 40 EDAB CC(C)(CNC(=O)c1cccc(NC(=O)C2CC2)c1)N1CCOCC1 49984743 IDTFZXSJSKJUDU-UHFFFAOYSA-N 345.443 1.876 0 40 EDAB CC(=O)N[C@]1([C@@H](O)c2cccc(F)c2)C(=O)N(C)c2ccccc21 40266883 DSYJKWBIZGBCDJ-FUHWJXTLSA-N 328.343 1.867 0 40 EDAB CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)CCN1CCCC1 192810091 WZFIKKVTQKGLPP-HNNXBMFYSA-N 326.466 1.155 0 40 EDAB CN1C(=O)N[C@]2(CCN(C(=O)NCC(C)(C)C3=CCCC3)C2)C1=O 333904578 UMJFKEONPWTZQA-KRWDZBQOSA-N 334.420 1.459 0 40 EDAB O=C(Nc1cnccn1)[C@H]1CC[C@@H]2[C@@H](CCN2c2ccncn2)O1 96065527 MZPRMDMIGBUIJJ-JHJVBQTASA-N 326.360 1.032 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cccnc2)C1 96057713 AKPGXPHJTKRNAU-CGTJXYLNSA-N 341.411 1.970 0 40 EDAB COc1cc(F)ccc1N1CCN(CCCS(C)(=O)=O)CC1 96406604 DDVKULPGPNGGSV-UHFFFAOYSA-N 330.425 1.391 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(C(=O)c3ccsc3)C[C@@H]12)NCC1CC1 96057173 AUFGVOIGYDBESY-OAGGEKHMSA-N 348.468 1.999 0 40 EDAB COCCN1CCN(C(=O)c2cccc(C)n2)Cc2cccnc21 96060937 SNKSHOBYSNNDEZ-UHFFFAOYSA-N 326.400 1.894 0 40 EDAB O=C(/N=c1\[nH]nc([C@H]2CCCO2)[nH]1)C1(c2ccccc2)CCOCC1 95474370 FHMIEUHHCMKTGQ-CQSZACIVSA-N 342.399 1.765 0 40 EDAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc2c(c1)OCCCO2 96041434 JFYSHQFZJVCLRF-YSVLISHTSA-N 333.384 1.866 0 40 EDAB Cn1ccnc1CN1CC[C@@H]2O[C@@H](COCCN3CCCC3)CC[C@@H]21 96064785 QQOXEKMJUBYVPP-SQNIBIBYSA-N 348.491 1.654 0 40 EDAB COCCO[C@@H]1CCN(C(=O)c2cnccn2)[C@H]1Cc1ccccc1 96200077 UDNQTXSUNCGBBW-ZWKOTPCHSA-N 341.411 1.965 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2c(F)cc(F)cc2F)C1 92771042 ZVOUTQGOQCGXOM-VIFPVBQESA-N 336.335 1.258 0 40 EDAB Cc1oncc1C(=O)N1CCc2c(COCC3CC3)nn(C)c2C1 96085010 BKFNCQFQYKWPOD-UHFFFAOYSA-N 330.388 1.842 0 40 EDAB CCOC[C@H]1CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 583651964 WWPYUJPQOPITIK-LBPRGKRZSA-N 332.853 1.846 0 40 EDAB c1cnn(C[C@H]2CC[C@@]3(COCCN(Cc4ccncc4)C3)O2)c1 96052386 GAVPJAWJWCZCDH-QZTJIDSGSA-N 328.416 1.728 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2ccnn2C)cc1 583616105 LHJDOTXCBHQSNL-AEFFLSMTSA-N 329.400 1.941 0 40 EDAB CCc1onc(C)c1C(=O)N1CC[C@@](O)(c2cn(C(C)C)nn2)C1 583618878 WPINWDFZMYDIAF-INIZCTEOSA-N 333.392 1.452 0 40 EDAB CNC(=O)[C@H]1CO[C@H]2CCN(CCOCc3ccccc3)C[C@H]2C1 96042654 NYKXMGSXIIOZNB-KURKYZTESA-N 332.444 1.676 0 40 EDAB O=C1[C@H]2CN[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 96300477 JDMJJGKWPZNOCL-RISOHXOYSA-N 347.374 1.239 0 40 EDAB C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CN1CC[C@@H](C(N)=O)C1 585084359 PFGZLXGNXPMOMM-HZSPNIEDSA-N 325.453 1.687 0 40 EDAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cccnc3OC)C2)c1F 240104320 UPXLQQDGMZWSFX-LLVKDONJSA-N 346.362 1.875 0 40 EDAB C[C@H]1[C@H](C)CC[C@H](CNC(=O)OC(C)(C)C)N1C(=O)CC(N)=O 585126165 QRHDMTCVBGACIA-GRYCIOLGSA-N 327.425 1.402 0 40 EDAB Cc1cc(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)no1 585122289 VPTJCHSOMWOHNI-ZDUSSCGKSA-N 338.408 1.150 0 40 EDAB O=S(=O)(N1CCCCC1)N1CC2(CCN2Cc2ccccc2)C1 585114791 ZTPGDHDFSGXOPO-UHFFFAOYSA-N 335.473 1.677 0 40 EDAB CCN(Cc1ccc(Br)s1)C(=O)CN(C)CC(N)=O 51827371 HHNIHCIJTVMUOR-UHFFFAOYSA-N 348.266 1.276 0 40 EDAB Nc1cc(CC[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)CCO2)ccn1 257272282 NBTZVYZJCJGNEI-CQSZACIVSA-N 349.822 1.374 0 40 EDAB O=C(c1cccnn1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257238905 HNBAXSSFCFINML-AWEZNQCLSA-N 337.383 1.456 0 40 EDAB CC1(c2nccs2)CCN(C2CCN(S(C)(=O)=O)CC2)CC1 257246293 ITMBGZDFUAATPP-UHFFFAOYSA-N 343.518 1.921 0 40 EDAB Cc1ocnc1C(=O)N1CCOC[C@H](Cc2nccn3cccc23)C1 257235691 GYXYKSRLQICYFV-CQSZACIVSA-N 340.383 1.962 0 40 EDAB COc1cccc(O[C@@H]2C[C@@H](NC(N)=O)[C@H](N3CCCCC3)[C@H]2O)c1 257221625 DPXGYAKSQJIMJV-NCOADZHNSA-N 349.431 1.099 0 40 EDAB COc1cccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)c1 86070994 FZSNBPYSEUMXID-UHFFFAOYSA-N 335.429 1.993 0 40 EDAB COc1cccc(C2=CCN(S(=O)(=O)c3cn(C)c(C)n3)C2)c1 273386211 CHYIBVBKGLTTGE-UHFFFAOYSA-N 333.413 1.825 0 40 EDAB Cn1ccc(N2CCC[C@H](NC(=O)NC3CC(F)(F)C3)C2=O)n1 277731703 UNRGMGMSCPJUNU-JTQLQIEISA-N 327.335 1.012 0 40 EDAB O[C@]1(c2ccccn2)CCNC[C@@H]1N1CC[C@H](Oc2ccccc2)C1 1614973494 KVJHQSBNTAFGHA-IHPCNDPISA-N 339.439 1.784 0 40 EDAB Cc1nc(C)c(F)c(N[C@H]2CC(=O)N(C)[C@@H]2c2c(C)nn(C)c2C)n1 1615551348 SBIHDEZBZDCZCC-LRDDRELGSA-N 346.410 1.967 0 40 EDAB C[C@@H]1CN(c2ccccc2)CCN1C(=O)C1=CS(=O)(=O)CCC1 1616037389 HOFBKTWJFOOUCU-CQSZACIVSA-N 334.441 1.816 0 40 EDAB O=C(/C=C/c1ccccc1)N1CCC(N2C(=O)COCC2=O)CC1 575619555 NAZFINQTNHRVHC-VOTSOKGWSA-N 328.368 1.076 0 40 EDAB CN(C)C(=O)c1ccc(=O)n(Cc2cccc3c2OC(F)(F)O3)c1 585114189 QQVSMTZPQUVGSG-UHFFFAOYSA-N 336.294 1.920 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2cncn2[C@H](C(=O)NCc2ccco2)C1 585096035 NPHMIGNOBJKGBF-UGFHNGPFSA-N 328.372 1.332 0 40 EDAB CC(C)NC[C@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@H]1O 585286401 QRCUYOMBQLISSJ-ZBFHGGJFSA-N 326.824 1.276 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc3oc(C)cc3c2)C[C@@H]1OC 585279634 WLAPOIUKOUXLEA-ZBFHGGJFSA-N 330.384 1.964 0 40 EDAB NC(=O)NC[C@H]1CCCN(C(=O)NCCc2cccc(Cl)c2)C1 72272797 GGVDKSFWFBCOPY-CYBMUJFWSA-N 338.839 1.972 0 40 EDAB O=C(CCOc1ccc(Cl)cc1)NC[C@@H]1CCS(=O)(=O)C1 46575467 JYZYYWLZAMWUTL-NSHDSACASA-N 331.821 1.660 0 40 EDAB COc1ccc(C(=O)N2CCC[C@H](COc3ncccn3)C2)cn1 1775995095 BIKPYSKGGGCFTN-ZDUSSCGKSA-N 328.372 1.811 0 40 EDAB O=C(c1sccc1-n1cnnn1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 84618189 NEPVRRHXGLMFAD-PSASIEDQSA-N 347.322 1.252 0 40 EDAB COC(=O)Cn1cc([C@H](C)OC(=O)CCc2ccc(F)cc2)nn1 84667470 QYGVYTJBXIDOTJ-NSHDSACASA-N 335.335 1.827 0 40 EDAB Cc1nc(COc2ccccc2C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)no1 78894681 QVUGOUMVANSPMJ-DOMZBBRYSA-N 344.415 1.979 0 40 EDAB Cn1ncc2c(N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)ncnc21 280192787 FOEMYHGHIFYHER-IYBDPMFKSA-N 334.427 1.932 0 40 EDAB COc1ccc(S(=O)(=O)N2CC(N3CCCC3)C2)cc1Cl 1260969812 BUNRPQDGBUHVRD-UHFFFAOYSA-N 330.837 1.817 0 40 EDAB CC(C)c1n[nH]cc1C(=O)N1CC[C@@](C)(NC(=O)Cn2cccn2)C1 1536747619 YYWQNYGROURMTR-QGZVFWFLSA-N 344.419 1.151 0 40 EDAB CCN(CC)CCN1C(=O)COc2ncc(Br)cc21 5585262 HXRQDWXSPUYNRW-UHFFFAOYSA-N 328.210 1.911 0 40 EDAB CCn1ccnc1N1CCN(CC(=O)NCc2ccccc2)CC1 11695746 RCKQNUBXBNPSHY-UHFFFAOYSA-N 327.432 1.341 0 40 EDAB O=C(CN1CCC(O)(c2ccccn2)CC1)NCc1ccccc1 12114348 VPMAQLVVBSAGSJ-UHFFFAOYSA-N 325.412 1.681 0 40 EDAB COC(=O)[C@@H]1[C@@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 13494516 VUGOLLUZWMJXDN-RVSPLBMKSA-N 348.355 1.058 0 40 EDAB Cc1ccnn1[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19238285 ITKMDYGAVAMXGU-BBRMVZONSA-N 340.431 1.552 0 40 EDAB COCc1cc(=O)[nH]c([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 19594296 YVMUAMSREDQGGQ-GFCCVEGCSA-N 328.372 1.331 0 40 EDAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)[C@H]1CCOC1 206844823 YDBBYXOJWAHYFW-GXTWGEPZSA-N 329.356 1.698 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccccc1OC 101189073 LGDQIPFNYNIGLO-LWWSYDQCSA-N 339.413 1.561 0 40 EDAB CO[C@H]1[C@H](CNC(=O)c2cnc3ccccc3c2)COC[C@H]1OC 643585416 IKZAPHAZNVWAFL-OIISXLGYSA-N 330.384 1.641 0 40 EDAB N[C@@H](C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)C1CCC1 574629980 LLTFHXJEXHGENL-MRXNPFEDSA-N 336.480 1.737 0 40 EDAB CC(C)Oc1ccc(CNC(=O)[C@H]2C(=O)NC[C@H]2C(C)(C)C)cn1 585149486 ALHZKBPORCDHKZ-HIFRSBDPSA-N 333.432 1.893 0 40 EDAB Cn1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)n1 1888850271 HUHQOSOFTNRJQL-OKILXGFUSA-N 338.415 1.296 0 40 EDAB COc1ccnc(N2CCN(c3nc(C4CC4)nc(C)c3F)CC2)n1 1888863742 GFITXVDJKPJMJK-UHFFFAOYSA-N 344.394 1.927 0 40 EDAB CCc1cc(N2CCN(CCn3nccn3)CC2)nc(SC)n1 1888866418 ZJEPNTABSZKVMM-UHFFFAOYSA-N 333.465 1.175 0 40 EDAB CCn1cnc2c(N3CCN(c4ncc(Cl)cn4)CC3)ncnc21 1888888135 CVNXLQVNBRKMJX-UHFFFAOYSA-N 344.810 1.616 0 40 EDAB COc1cccc(CN2CCN(c3ccc(N(C)C)nn3)CC2)c1 1889119533 OOHBJFWDAMZLFA-UHFFFAOYSA-N 327.432 1.873 0 40 EDAB CCOc1cc(C(=O)NCc2nc(-c3ccccc3)no2)ncn1 239593158 DRUFHHKCSKKNSY-UHFFFAOYSA-N 325.328 1.855 0 40 EDAB CC(C)N1C[C@]2(COCC1=O)CN(C(=O)CC1CCCC1)CCO2 2037984806 OJCVKDQWTYCPJN-SFHVURJKSA-N 338.448 1.432 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@@H]1COC2(CCCCC2)O1 4941293 CMNLXEYCKHMCJU-GFCCVEGCSA-N 338.429 1.556 0 40 EDAB O=S(=O)(NCc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 17191376 FHPDOUGHIPNTAZ-UHFFFAOYSA-N 349.803 1.794 0 40 EDAB COC[C@H]1CN(C(=O)c2csc(C)n2)Cc2nnn(CC3CC3)c21 2055750709 RUGUXIWFFZQRLO-GFCCVEGCSA-N 347.444 1.839 0 40 EDAB CC(=O)c1cc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CCO3)n[nH]1 2055794384 SDFHISBLMAGYNG-CYBMUJFWSA-N 334.420 1.328 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(C(=O)C1CC1)C2)NCCc1cccs1 2055754807 XAJIQZDNUIMJHF-KDOFPFPSSA-N 348.468 1.682 0 40 EDAB O=C(NCC1CCN(Cc2ccco2)CC1)C(=O)NC1CCCC1 23127460 CMKDJOOPCOEERY-UHFFFAOYSA-N 333.432 1.667 0 40 EDAB O=c1[nH]c2c(-c3ccccn3)nsc2c(=O)n1Cc1ccco1 49409994 PTCCTLULESEGLV-UHFFFAOYSA-N 326.337 1.850 0 40 EDAB CC(=O)N1CCC(C(=O)N[C@H]2CCN(Cc3ccsc3)C2)CC1 618256611 KTHXHJYGGKBGCX-INIZCTEOSA-N 335.473 1.697 0 40 EDAB O=c1cc2c(nn1CC1CCN([C@H]3CCCC[C@@H]3O)CC1)CCC2 585501992 GVJUPFAHZSOQCF-ROUUACIJSA-N 331.460 1.748 0 40 EDAB Cc1ccc(/C=C/C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)o1 30584040 BBALXTXDYFVURK-XEHSLEBBSA-N 326.418 1.532 0 40 EDAB C[C@H](NC(=O)c1ccc(OCc2cccnc2)cc1)C(=O)N(C)C 40540952 LPLGNKAMELCJIP-ZDUSSCGKSA-N 327.384 1.867 0 40 EDAB O=C(c1ccncc1)N1CCN(c2ncc(Br)cn2)CC1 40525153 RLGORNAOKFCRNK-UHFFFAOYSA-N 348.204 1.597 0 40 EDAB O=c1[nH]c(=O)n(Cc2ccccc2)c2c1CN(Cc1cccnc1)CN2 20573489 ISOCONDZCSTYOZ-UHFFFAOYSA-N 349.394 1.365 0 40 EDAB COc1cc(C(=O)Nc2ccncc2)cc(Cl)c1OCC(N)=O 21442210 IEJZAHURXYDFDU-UHFFFAOYSA-N 335.747 1.860 0 40 EDAB C[C@H](O)CN1CCC(CNCc2nc(-c3cccnc3)no2)CC1 69949936 ODUOVFRRLWIUJX-ZDUSSCGKSA-N 331.420 1.314 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 69980730 BZGVXXOUCSUPOI-QAPCUYQASA-N 348.443 1.383 0 40 EDAB Cc1c(Br)c(C(F)F)nn1CC(=O)Nn1cnnc1 2776676 LXPVAJHGOSQWEN-UHFFFAOYSA-N 335.112 1.253 0 40 EDAB O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)C1CC1 1381479 WIWLFOVJHGFLEI-UHFFFAOYSA-N 326.447 1.991 0 40 EDAB CCN1CCC(N(C(=O)[C@@H](C)S(=O)(=O)C(C)C)C2CC2)CC1 79039601 LESBXNQBXXTMBX-CYBMUJFWSA-N 330.494 1.673 0 40 EDAB CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccncc1 3191410 ABHCVETZPWECMK-GFCCVEGCSA-N 328.324 1.601 0 40 EDAB CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 41838150 SNBLZPWEJOSUMP-UZZMVUAXSA-N 342.505 1.989 0 40 EDAB O=C(CCOc1cccc(Cl)c1)NC[C@@H]1CCS(=O)(=O)C1 41810487 XBHQQQHIRHAKIW-NSHDSACASA-N 331.821 1.660 0 40 EDAB COc1cccc([C@@H](CNC(=O)CCn2cncn2)N2CCCC2)c1 41946509 PTRRIAWXBGWWJQ-QGZVFWFLSA-N 343.431 1.630 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(Cc2cccs2)CC1 22691954 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O=C1C[C@@]2(CC[C@H]3[C@@H](C(=O)N4CCOCC4)[C@@H]32)Oc2ccccc21 100123875 YFOIXAIPVSGPGZ-CNDLSXRNSA-N 327.380 1.905 0 40 EDAB O=C(NCCO)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 3227030 KWQWUKAYKBPMKX-JQIJEIRASA-N 328.412 1.559 0 40 EDAB CCOC(=O)C1=C(CN(Cc2cccs2)C2CC2)NC(=O)NC1 27108303 IKJXUKOZXASDEP-UHFFFAOYSA-N 335.429 1.843 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C[C@@H](C)O1 20572323 HHAXDPLYMJDFJX-FMKPAKJESA-N 348.418 1.853 0 40 EDAB Nc1nccnc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10082761 COISNRFVLBSDAD-UHFFFAOYSA-N 325.372 1.550 0 40 EDAB CN(C)C(=O)N[C@H]1CCOC2(CCN(Cc3cncn3C)CC2)C1 108526799 KFVXJWHABVBIFA-AWEZNQCLSA-N 335.452 1.205 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)CN(CCO)C3CC3)cc2)C[C@@H](C)O1 58191652 WWGQIMNEHUZANZ-GASCZTMLSA-N 347.459 1.695 0 40 EDAB COc1ccc(Cl)cc1CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1 48250234 ZFVUCCBGOUJNSS-LBPRGKRZSA-N 346.836 1.677 0 40 EDAB CCN(CC)C(=O)CNC(=O)c1ccc(NC(=O)NC2CC2)cc1 58157821 OCCWASYZRFGVFV-UHFFFAOYSA-N 332.404 1.569 0 40 EDAB Cc1ccc([C@@H](CNC(=O)NCc2ccccn2)N2CCOCC2)o1 44889551 UZVYBMUJFFDMNW-MRXNPFEDSA-N 344.415 1.856 0 40 EDAB C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)c2nccn2C)[C@H](C)CO1 58265136 DIQGBVDQOUQQKU-RKVPGOIHSA-N 342.443 1.735 0 40 EDAB O=C(Nc1cccc(N2CCOC2=O)c1)Nc1cnn(CCO)c1 58226280 INLZJTKSNKVTBL-UHFFFAOYSA-N 331.332 1.476 0 40 EDAB O=C(c1cnccn1)N1CCN(C(=O)c2cc(Cl)ccc2O)CC1 58218906 RTWFAHNWHWYXFS-UHFFFAOYSA-N 346.774 1.434 0 40 EDAB CC(C)OCCCNC(=O)Cn1c(-c2cccs2)noc1=O 58290229 FIOAVWHIVCYGDI-UHFFFAOYSA-N 325.390 1.496 0 40 EDAB COc1ccc(OCCC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 44908496 RFXNNSSJZSJPSF-LBPRGKRZSA-N 327.402 1.015 0 40 EDAB Cc1cccc(OCCNC(=O)[C@@H](C)S(=O)(=O)c2ccccn2)c1 44946878 XEAMABQEBIEPGV-CQSZACIVSA-N 348.424 1.747 0 40 EDAB CN(CC1CC1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58392500 ANIQTRJXVPGBIB-QGZVFWFLSA-N 333.363 1.461 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3ccnn3CCO)CC2)on1 58342426 GBWJASWMWCDEMP-CYBMUJFWSA-N 347.419 1.378 0 40 EDAB Cn1c(CN2CCC(Cc3ccc(F)cc3)CC2)cc(=O)n(C)c1=O 58329702 JKCPSVSGZCFKSN-UHFFFAOYSA-N 345.418 1.678 0 40 EDAB NS(=O)(=O)CCNC(=O)c1ccc(Sc2ccccn2)cc1 58304549 XHQAHGHMYKRZMU-UHFFFAOYSA-N 337.426 1.251 0 40 EDAB CCC(O)(CC)CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 58412137 JGSOVQSCVHVQAG-UHFFFAOYSA-N 349.431 1.832 0 40 EDAB NC(=O)c1oc2ccccc2c1NS(=O)(=O)c1c[nH]c(C(=O)O)c1 58402465 LFGKRMAEXSWFRU-UHFFFAOYSA-N 349.324 1.359 0 40 EDAB O=C1C[C@@H](N2CCOCC2)C(=O)N1c1ccc(Cl)cc1Cl 101274622 QCTXVAWACQSZOG-GFCCVEGCSA-N 329.183 1.958 0 40 EDAB Fc1cnc(N[C@H]2CO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 107731274 CYCPZSQBLYORDS-CJNGLKHVSA-N 330.367 1.646 0 40 EDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 102297658 IRNVOGJRZNPZSB-YHUYYLMFSA-N 328.368 1.190 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N2CCc3sccc3C2)c1 10885852 DHJROADBRSRDEU-UHFFFAOYSA-N 336.438 1.855 0 40 EDAB COc1ccc(Nc2nc(NCCCO)nc3c2cnn3C)cc1 20745298 ZSXPGMZWOKLOBV-UHFFFAOYSA-N 328.376 1.910 0 40 EDAB CN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccsc1 29114503 FQMODEPCTUAJLI-HNNXBMFYSA-N 345.424 1.459 0 40 EDAB CCOC(=O)C(=Cc1nnsc1N1CCCC1)C(=O)OCC 3767728 BUQMBGYUMUKKLA-UHFFFAOYSA-N 325.390 1.648 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN2S(C)(=O)=O)c1 8877506 XGYXXHWBQVKAJV-CYBMUJFWSA-N 340.401 1.144 0 40 EDAB O[C@@H](CN1CCC[C@@H]1Cn1cncn1)c1ccc2c(c1)OCCO2 71875165 YONMCNARSLJHSL-CABCVRRESA-N 330.388 1.247 0 40 EDAB Cc1cc(N2CCN(C3CC3)CC2)n2nc(C(F)(F)F)nc2n1 71836882 NGCLZJAUZPRWFG-UHFFFAOYSA-N 326.326 1.736 0 40 EDAB CC(C)(C)c1nc(CS(=O)(=O)Cc2noc(C3CC3)n2)no1 71825145 UYMYGFLTFWJETA-UHFFFAOYSA-N 326.378 1.743 0 40 EDAB Cc1ccc(-c2cc(C(=O)NCCN3C(=O)CSC3=O)[nH]n2)o1 65415529 SVJDLLRDDBNFHS-UHFFFAOYSA-N 334.357 1.403 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1cc(-c2cccs2)n[nH]1 65415397 CZNIVLAWXNFUPK-UHFFFAOYSA-N 336.398 1.563 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc2c(=O)[nH]c(S)nc2c1 65475635 VTJKMTAJEXJESQ-BDAKNGLRSA-N 348.428 1.245 0 40 EDAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)NC1CC1 6366445 SWDWFTAHTIYTBY-UHFFFAOYSA-N 333.413 1.150 0 40 EDAB CCN(Cc1cccc2c1OCCO2)C(=O)CCN1C(=O)CCC1=O 65549932 MLDNKHNIYYJXTM-UHFFFAOYSA-N 346.383 1.345 0 40 EDAB COc1cc(CNC(=O)[C@H]2CCC(=O)N2)ccc1OC[C@H]1CCCO1 65590816 UIXHUYALXNXMEI-ZIAGYGMSSA-N 348.399 1.148 0 40 EDAB O=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 14267432 KJLBKMQJYNLTNW-UHFFFAOYSA-N 344.758 1.878 0 40 EDAB Nn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nncc1=O 4854887 IOHZUQOGDCLPDB-UHFFFAOYSA-N 346.199 1.390 0 40 EDAB C[C@H](Sc1nncn1C)C(=O)Nc1ccc(N2CCOCC2)cc1 4840139 RMQUBNBXUONXQA-LBPRGKRZSA-N 347.444 1.771 0 40 EDAB Cc1ccccc1CNC(=O)NCC(=O)N(C)CCc1ccccn1 67089071 KFYSTRNGMRXAGA-UHFFFAOYSA-N 340.427 1.890 0 40 EDAB Cc1cc(C)n2nc(C(=O)N(C)Cc3ccc4c(c3)OCO4)nc2n1 15833141 NATOYKLKQAKJKZ-UHFFFAOYSA-N 339.355 1.742 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC(c2ccccc2)=N1 7586314 NCZFNFARGGZNSZ-UHFFFAOYSA-N 332.367 1.977 0 40 EDAB O=c1oc2ccccc2n1CCNC[C@H](O)COc1ccccc1 69153760 GLKAVAHHYBHQGH-AWEZNQCLSA-N 328.368 1.624 0 40 EDAB COC(=O)c1ncn(CN2CCC[C@H]2c2ccc3c(c2)OCO3)n1 71796137 GTYVWARBGYDASG-LBPRGKRZSA-N 330.344 1.588 0 40 EDAB CCOC(=O)N1CCN(c2ccccc2S(=O)(=O)C(F)F)CC1 69351703 BARKDDKZGIHDCX-UHFFFAOYSA-N 348.371 1.961 0 40 EDAB C[C@H](OC(=O)c1ccccc1O)C(=O)NC(=O)NCc1ccccc1 8328677 FOFFIFLHCQTCTH-LBPRGKRZSA-N 342.351 1.964 0 40 EDAB CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1ccc2c(c1)OCO2 69485659 FTTHSTCYTRHWPX-GFCCVEGCSA-N 336.413 1.797 0 40 EDAB CCc1nnc2n1CCN(CC(=O)N1CCc3sccc3C1)C2 69486166 URGSNAXXZYMEKX-UHFFFAOYSA-N 331.445 1.303 0 40 EDAB O=C(NC1CC1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 17122129 JKIBWTCIXKMROH-UHFFFAOYSA-N 327.361 1.956 0 40 EDAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H]1COCCO1 69566819 DHDULFNZXDVNPG-LBPRGKRZSA-N 332.381 1.868 0 40 EDAB O=C(CNC(=O)NCc1ccco1)NCc1cccc2c1OCCO2 69704861 IZDJJWLPQNTVRH-UHFFFAOYSA-N 345.355 1.166 0 40 EDAB CN(Cc1ccccn1)C(=O)CCNC(=O)c1n[nH]c2ccccc12 69737956 QODBZEGQTYSFMF-UHFFFAOYSA-N 337.383 1.736 0 40 EDAB Fc1cccc([C@@H](CNc2ncnc3[nH]cnc23)N2CCOCC2)c1 71833166 UMFBDPGEZNWRRM-CQSZACIVSA-N 342.378 1.977 0 40 EDAB COCCCN(Cc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 71892905 BBTYTHMVAKURHQ-CYBMUJFWSA-N 333.400 1.990 0 40 EDAB CN(CC(=O)NCc1ccccn1)C[C@@H]1CCCN1c1cccnn1 71860078 RRQKEGGWOGMOEW-INIZCTEOSA-N 340.431 1.089 0 40 EDAB CCOCCCNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 409147925 WQRGXJXYYOWPRR-UHFFFAOYSA-N 342.461 1.612 0 40 EDAB CC(C)n1ccnc1CN1CCCN(C(=O)c2cnn(C)c2)CC1 69878683 TWJOBUVQEOYVKQ-UHFFFAOYSA-N 330.436 1.546 0 40 EDAB Cn1nc2c(cc1=O)CN(CC(=O)N1CCCc3ccccc31)CC2 72302298 IFJRPZCYVPQEPG-UHFFFAOYSA-N 338.411 1.118 0 40 EDAB C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2cnn(CC(N)=O)c2)C1 72305929 FDIWHAZJNGHESG-BDJLRTHQSA-N 337.424 1.067 0 40 EDAB COc1cccc(COCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 72269243 WHPDZANTDNTNNB-ROUUACIJSA-N 348.443 1.269 0 40 EDAB CN1C(=O)C[C@H](C(=O)N[C@@H]2CCc3nccn3C2)[C@@H]1c1ccccc1 72281451 GJGDOHYADVPDGT-VKJFTORMSA-N 338.411 1.534 0 40 EDAB C[C@@H](c1ccncc1)N(C)Cc1cnc(N2CCN(C)CC2)nc1 97113681 HJOVMZMPBODSNK-HNNXBMFYSA-N 326.448 1.816 0 40 EDAB OCCn1ncc2c1CCC[C@H]2Nc1ncc(Br)cn1 95394293 CIJSXKSXVTUXAV-LLVKDONJSA-N 338.209 1.917 0 40 EDAB O=C(CNC(=O)c1ccc(F)cc1)NCC[C@H](O)c1ccccc1 95409916 XCBYDZIQICFOSY-INIZCTEOSA-N 330.359 1.795 0 40 EDAB O=C(OCc1ccccc1)C1CN(C(=O)CCOC[C@@H]2CCCO2)C1 95467381 HSNHMFQQDMLVNO-KRWDZBQOSA-N 347.411 1.774 0 40 EDAB Cn1ncnc1CNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 95460000 GKAQQQFTHAXHSW-GXTWGEPZSA-N 335.795 1.798 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@]2(C)CCc3ccccc3C2)co1 95439592 IOFYCWQXNWPUTJ-QGZVFWFLSA-N 348.424 1.865 0 40 EDAB COCCCN1CCC(NC(=O)c2ccc3nsnc3c2)CC1 95456863 FPSLEJUXMJJAHV-UHFFFAOYSA-N 334.445 1.922 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)cc1 95953778 UIOKELCZUSLMRY-MRXNPFEDSA-N 329.444 1.902 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)NC[C@H]2Cc3ccccc3O2)C1 89761884 RSCZBUQUPPAPKP-HUUCEWRRSA-N 341.415 1.708 0 40 EDAB O=C(Nc1nnn[nH]1)c1cc(I)ccc1Cl 89769699 WAMITWQYISIDFH-UHFFFAOYSA-N 349.519 1.710 0 40 EDAB Cn1cnc2cc(C(=O)Nc3ccn(CCS(C)(=O)=O)n3)ccc21 89761868 IKTCIWZUWCNSAT-UHFFFAOYSA-N 347.400 1.067 0 40 EDAB CN(C)c1nccc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 301595026 YTQZJTHEMRHPGP-UHFFFAOYSA-N 331.449 1.598 0 40 EDAB CCOC(=O)COc1ccc([C@@H]2NC[C@H](C(=O)O)S2)cc1OC 408978541 MRJBFSGIEUBUQY-TZMCWYRMSA-N 341.385 1.425 0 40 EDAB CCN(C1CCN(CN2CCSC2=S)CC1)S(C)(=O)=O 66859385 MEMBWWUVFHOJFJ-UHFFFAOYSA-N 337.536 1.024 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)C)cc1C 408606942 MQJLAJFOXJXNOU-LBPRGKRZSA-N 328.434 1.585 0 40 EDAB Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCOC3)C2)c2ccccc2n1 1000045623 ODDJJIDXABKQAX-ZDUSSCGKSA-N 339.395 1.520 0 40 EDAB C[C@@H](C(=O)O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 514733882 RLXIGJOUCREYDK-MRVPVSSYSA-N 346.380 1.562 0 40 EDAB O=C(Cn1ccnc1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 515183568 LDVUEDDHJMKUNM-MRXNPFEDSA-N 332.379 1.212 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c3ccccc23)C1=O 408548564 IUJWGADBHXGMSQ-NTEUORMPSA-N 340.335 1.914 0 40 EDAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H]1CCc2cncn2C1 521394185 LRYFZUCDQSJJQN-ZDUSSCGKSA-N 337.383 1.033 0 40 EDAB O=C(Cc1c(F)cccc1Cl)NCCCN1C(=O)CNC1=O 78712870 LGAOJKFOMRHWJK-UHFFFAOYSA-N 327.743 1.080 0 40 EDAB C[C@H]1CN(C(=O)NCc2cccnc2N2CCOCC2)C[C@@H](C)O1 46891424 STEZISOQZUHQIW-OKILXGFUSA-N 334.420 1.237 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCC(C)C 217529078 GEIAEFJLRUHBCT-LLVKDONJSA-N 344.433 1.766 0 40 EDAB O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1n[nH]c(=O)[nH]1 75161221 VLBGEISZROCJJY-UHFFFAOYSA-N 326.278 1.926 0 40 EDAB COc1ccccc1Oc1nccnc1C1CCN(CC(N)=O)CC1 72361820 PZZBTQUOUNJUJJ-UHFFFAOYSA-N 342.399 1.942 0 40 EDAB Cc1cc(NC(=O)N[C@@H]2CCCNC2=O)ccc1N1CCSCC1 78394926 IWZGLOHTSCTVJF-CQSZACIVSA-N 348.472 1.948 0 40 EDAB O=C(NC1CCS(=O)(=O)CC1)c1ccc(Br)cn1 61873266 QLTVRKOKYFDPKN-UHFFFAOYSA-N 333.207 1.151 0 40 EDAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1cc[nH]n1 225724050 CSAHEWJWVFHJDQ-UHFFFAOYSA-N 340.309 1.617 0 40 EDAB CN1C(=O)C[C@@H](CNC2CCN(C(C)(C)C)CC2)[C@@H]1c1nccn1C 564593305 LYUQIIOXIBHOFC-WMLDXEAASA-N 347.507 1.792 0 40 EDAB O=C(NCCc1cc(F)c(F)c(F)c1)N1CC(=O)N(C2CC2)C1 568590084 KSZPUTAQSXVRSI-UHFFFAOYSA-N 327.306 1.620 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC[C@@H](C)C2)cc1 222972304 FECIHIAMGKVUCB-CYBMUJFWSA-N 340.445 1.574 0 40 EDAB O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)Nc1cccnc1 75165375 NIKFZNDAVANIOJ-UHFFFAOYSA-N 335.367 1.945 0 40 EDAB COCC(=O)NCc1nc(-c2cccc(Br)c2)no1 222597543 RTDGCTVYSPJUNA-UHFFFAOYSA-N 326.150 1.762 0 40 EDAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NCC(=O)N(C)C 226851931 KZEZBPQTQALVRP-ZDUSSCGKSA-N 330.388 1.152 0 40 EDAB CCN(CCc1nccs1)S(=O)(=O)N1CCC(C(=O)O)CC1 576104368 DFAUVJUHDWRMMF-UHFFFAOYSA-N 347.462 1.049 0 40 EDAB CC(=O)c1ccc(C(=O)NCc2nc(-c3ccc[nH]c3=O)no2)s1 225804631 LNLUPKPCOQBJLZ-UHFFFAOYSA-N 344.352 1.619 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(CC1CCOCC1)C2 96050233 RGHOWEKPQNPTSU-FQEVSTJZSA-N 343.471 1.836 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2Cn2cncn2)C1 96430769 KAWSEGFTOGCCBC-OAHLLOKOSA-N 341.415 1.267 0 40 EDAB CN(C)C(=O)COCc1cncc2c1CCN(C1CCOCC1)C2 96189393 NEGUKHQVQXPTGM-UHFFFAOYSA-N 333.432 1.224 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2O1)N1CCC1 96215307 CFNNAJJSBGNFOK-RLFYNMQTSA-N 344.411 1.627 0 40 EDAB O=C(NCCCn1cccn1)N[C@H]1CCN(C(=O)C2CCCCC2)C1 96473648 PMWNSRANUHOPNZ-INIZCTEOSA-N 347.463 1.754 0 40 EDAB Cc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)n(C)n1 96181649 LIKAJUCAQXUEMU-HOTGVXAUSA-N 346.362 1.405 0 40 EDAB CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(C1)CN(Cc1ccccc1F)C2 514289825 PANCSNSQGBEDRB-QZTJIDSGSA-N 347.478 1.787 0 40 EDAB biogenic,in-vitro CCn1cnnc1[C@H]1CCCN(c2ccc(-n3ccc(C)n3)nn2)C1 91627045 NCZLIGUGSNSQNL-AWEZNQCLSA-N 338.419 1.966 0 40 EDAB CC(C)C(=O)N1CCN(Cc2ccccn2)C[C@@]2(CC(=O)N(C)C2)C1 96036059 IKIKYGHJEDJHFK-IBGZPJMESA-N 344.459 1.230 0 40 EDAB CN(C)CC(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 96040133 IVUZTXOXRJTESO-HKUYNNGSSA-N 347.459 1.558 0 40 EDAB Cc1cnc(N2C[C@H]3O[C@H](C[C@@H]3C(=O)Nc3cccnc3)C2)nc1 96253349 FXKAAXPSAAZMIO-QLFBSQMISA-N 325.372 1.412 0 40 EDAB Cn1cc(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)cn1 96485867 VMVRIQHHSRFIDJ-CYBMUJFWSA-N 326.759 1.745 0 40 EDAB Cc1nc(-c2cccc(NC(=O)C(=O)N(C)CC3CCC3)c2)n[nH]1 96413507 DGYKYJBPIGAWHM-UHFFFAOYSA-N 327.388 1.977 0 40 EDAB Cc1cc(C)cc(C(=O)N2CC[C@@H](N3CCOCC3)C[C@H]2C(=O)O)c1 96100585 XYYMVNJTUFGVLW-SJORKVTESA-N 346.427 1.693 0 40 EDAB Cn1ccnc1CN1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1 96226399 KFQMHNFBVGQIHJ-SFHVURJKSA-N 345.422 1.826 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109000 DXFKAFSVYZNLMY-BEFAXECRSA-N 341.411 1.726 0 40 EDAB COc1ncccc1CN1C[C@@H]2C[C@H](CC(=O)NCC3CC3)O[C@@H]2C1 96216619 ADADEAJCGVVXNP-GVDBMIGSSA-N 345.443 1.596 0 40 EDAB CN(C)c1cccc([C@H]2CCCN2C(=O)NCCN2CCOCC2)c1 96410458 ZDKNGBCAHOEFAA-GOSISDBHSA-N 346.475 1.931 0 40 EDAB Cc1sc2ncc(C(=O)N[C@H]3CCC[C@@]3(C)CO)c(=O)n2c1C 96492956 WYZSDOFHOWUKQU-LRDDRELGSA-N 335.429 1.654 0 40 EDAB Cn1ncc2c1[C@@H](COCC1CC1)N(C(=O)Cc1ccccn1)CC2 96197795 ZIULJUJNUVMWNI-QGZVFWFLSA-N 340.427 1.910 0 40 EDAB Cc1nsc(N2CCCN(C(=O)NCc3cc(C)on3)CC2)n1 96439454 JDWSQJLIYRCRLO-UHFFFAOYSA-N 336.421 1.565 0 40 EDAB CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1c(F)cccc1Cl 96454857 WRSQMUQFZDSAOH-JTQLQIEISA-N 348.827 1.562 0 40 EDAB C[C@]1(c2ccccc2)CN(C(=O)C2CN([C@H]3CCOC3)C2)CCO1 585132030 MXGWGCZEDFYTNL-PKOBYXMFSA-N 330.428 1.481 0 40 EDAB CN(C)C(=O)[C@H]1CN(CCOCc2ccccc2)Cc2ccnn21 247985385 KMYSEWITRKEAFN-QGZVFWFLSA-N 328.416 1.545 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)CCc3cccnc3)CCO2)ncn1 257331600 XTOCVOFXNANEKE-GOSISDBHSA-N 340.427 1.973 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)Nc1cccc(-c2nnco2)c1 24738039 GZXCZCDHHQFFNZ-UHFFFAOYSA-N 348.322 1.480 0 40 EDAB CCn1nccc1-c1cc(C)nc([C@H]2CCN(S(C)(=O)=O)C2)n1 257314335 UWNHOSRQEMRIGV-LBPRGKRZSA-N 335.433 1.417 0 40 EDAB Cc1cnn(CC(=O)N2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)c1 257295527 QYRDSHFAILVGGE-IRXDYDNUSA-N 347.390 1.762 0 40 EDAB Cc1c(C(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)nnn1-c1ccccc1F 257331874 XUQPASJHMRHSEF-IIAWOOMASA-N 348.378 1.061 0 40 EDAB CCOC(=O)C1=C(COc2ccc(C(=O)CC)cc2)NC(=O)NC1 24696967 VUKLVFGBZITROL-UHFFFAOYSA-N 332.356 1.788 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCCC[C@]3(C)NC(=O)CCC[C@H]23)n1 257302843 SEROGGWQLMLBPE-YJBOKZPZSA-N 332.448 1.940 0 40 EDAB CC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H](C(N)=O)C1 257310812 UGRRPCHMXBQSGZ-CYBMUJFWSA-N 343.349 1.471 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)CCN1CCCC1 257214324 CLOYWBATUBYYCJ-MRXNPFEDSA-N 332.448 1.431 0 40 EDAB O=C(N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O)c1cccc2ncccc12 257264209 LTJDRKKVINPJAK-KZNAEPCWSA-N 341.411 1.189 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)NC[C@H]2CCCO2)c1 260828293 NNTZVAXLEMAGPH-CQSZACIVSA-N 340.445 1.219 0 40 EDAB CCOC(=O)C(F)(F)C1(O)CCN(C(=O)[C@](C)(CC)OC)CC1 1615585977 JZJTXWNKBFGJFO-ZDUSSCGKSA-N 337.363 1.353 0 40 EDAB N[C@]12CC[C@H]1CN(C(=O)NCc1ccc(Br)cn1)C2 1615588521 CBMNZZQVFSRXID-ZANVPECISA-N 325.210 1.477 0 40 EDAB CC(C)CN1C[C@H](C(=O)N2CCC(c3ncccn3)CC2)CC1=O 1616038818 SUKGVXZWNYUFSD-OAHLLOKOSA-N 330.432 1.687 0 40 EDAB CN(C)c1ncc(NC(=O)c2ccc3c(c2)OCO3)c(N(C)C)n1 96098760 PKFYLGHSFFANDN-UHFFFAOYSA-N 329.360 1.590 0 40 EDAB Cc1ccccc1C(=O)N1C[C@H]2OC[C@H](CC(=O)N3CCCO3)[C@H]2C1 585108457 MOLRNBXNTCYQQK-USXIJHARSA-N 344.411 1.636 0 40 EDAB O=C(CCc1ccno1)N1CCO[C@](CO)(Cc2ccccc2)C1 585276242 FAZVPHNQHHXLRJ-GOSISDBHSA-N 330.384 1.440 0 40 EDAB Cc1nccc(C(=O)N2CCC[C@]23CC(C)(C)O[C@H]3CC(N)=O)n1 585288361 XKKPWQVSBIKPTO-SUMWQHHRSA-N 332.404 1.203 0 40 EDAB O=C(c1ccon1)N1CCOC[C@](O)(COc2ccc(F)cc2)C1 585269174 LCHRPNMPJKWPGT-INIZCTEOSA-N 336.319 1.096 0 40 EDAB Cc1csc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n1 29442134 ISARYECJCURMSW-LBPRGKRZSA-N 329.385 1.510 0 40 EDAB CNC(=O)CCc1cc(C)nc([C@@H]2CCCN2c2cc(C)ncn2)n1 72367096 DDYKCNLQEOPYEX-HNNXBMFYSA-N 340.431 1.904 0 40 EDAB CN(CCc1ccc(F)cc1)C(=O)CN(C)c1ncnc2[nH]cnc12 56228119 RWNIBNJSLJHKMB-UHFFFAOYSA-N 342.378 1.629 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCc2cccc(OC[C@@H]3CCCO3)c2)C1 56422395 UZGBOVCKLJZWJV-ZBFHGGJFSA-N 347.415 1.261 0 40 EDAB O=C(NCc1ccsc1)[C@H]1COCC(=O)N1Cc1ccccc1 89834825 IUVXITAZTJLXQP-OAHLLOKOSA-N 330.409 1.792 0 40 EDAB Cc1cccc(OC[C@H]2CCCN(C(=O)Cn3ncccc3=O)C2)n1 1775996193 ZTFSDYRYKZEMQP-HNNXBMFYSA-N 342.399 1.264 0 40 EDAB CCOc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1OC 58304735 XELZWHRGONPAAL-CABCVRRESA-N 334.416 1.687 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cccnc1 77165955 GJCQWMXCADMWNU-UHFFFAOYSA-N 326.399 1.594 0 40 EDAB CC(=O)Nc1cccc(OCCNC(=O)N[C@H](C)[C@@H]2CCCO2)c1 78446758 WFGWIGXQDJLXPT-WBMJQRKESA-N 335.404 1.891 0 40 EDAB O=C(Nc1ccccc1OC(F)(F)F)C(=O)N1CCC[C@@H](O)C1 80236267 UNHOXOQYCSDRIJ-SECBINFHSA-N 332.278 1.507 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1C 96098221 VVXWQEYNAHKIMO-UHFFFAOYSA-N 331.459 1.501 0 40 EDAB Cc1noc([C@@H]2COCCN2C(=O)c2ccn(-c3ccccc3)n2)n1 97108825 UWNXKXZINYKFOK-HNNXBMFYSA-N 339.355 1.777 0 40 EDAB Cc1cc2c(=O)n3c(nc2s1)CCN(Cc1cncn1C)CC3 12221540 NOGXEHRJWNMHDG-UHFFFAOYSA-N 329.429 1.558 0 40 EDAB Cn1nccc1C(=O)N1CCC(c2ncccc2S(C)(=O)=O)CC1 13265347 ZBCDOUVPBLNHHI-UHFFFAOYSA-N 348.428 1.238 0 40 EDAB COCCc1nnc(NS(=O)(=O)c2cc(C)ccc2F)s1 19134498 DACWZRVUTZPJQM-UHFFFAOYSA-N 331.394 1.975 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@H](C(=O)NC3CCCC3)C2)cs1 19747770 TZWGJZAVKXGONS-AWEZNQCLSA-N 337.445 1.280 0 40 EDAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O)c(OC)c2)C1=O 4472260 HEBALLCCLMLTAD-OTIXFSKASA-N 337.353 1.999 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)N1CCN(Cc2cccnc2)CC1 585149846 UUABGSVBPNBVPG-HOTGVXAUSA-N 344.459 1.134 0 40 EDAB COc1ccc(CNC(=O)c2c(C)oc3ncn(C)c(=O)c23)cc1 6590037 KVFUNBNWMGKDRB-UHFFFAOYSA-N 327.340 1.774 0 40 EDAB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)NC[C@@H]1CCCO1 8748303 LGFXTYBCGDGILK-OLZOCXBDSA-N 347.444 1.747 0 40 EDAB O=S(=O)(N[C@H]1CCCN(Cc2nc3c(s2)CCC3)C1)C1CC1 1889108567 RNUNHSHEPUFHJM-NSHDSACASA-N 341.502 1.678 0 40 EDAB CNC(=O)[C@]1(C)CN(C(=O)c2cc3cc(F)ccc3n2C)CCO1 1848351985 BZAFNOMEUNMADT-KRWDZBQOSA-N 333.363 1.295 0 40 EDAB CCCCc1ccc(NC(=O)CSc2nncc(=O)n2N)cc1 4338068 PECZFNJCMKBZHP-UHFFFAOYSA-N 333.417 1.426 0 40 EDAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccco3)o2)c1 4585661 PJSIIMFUTWDIQA-UHFFFAOYSA-N 333.325 1.985 0 40 EDAB COC(=O)c1sc(NC(=O)CSc2nncn2C)nc1C 4769928 NTRVLABZFTXQOZ-UHFFFAOYSA-N 327.391 1.097 0 40 EDAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)Cc2cccs2)n1 7419123 ZEAFAFSEEFKHOD-UHFFFAOYSA-N 329.385 1.815 0 40 EDAB COCCOc1ncccc1CNC(=O)[C@H]1C(=O)NC[C@H]1C(C)(C)C 606440713 TWMJDZIXPJQVQT-KGLIPLIRSA-N 349.431 1.131 0 40 EDAB Cn1c(N2CCO[C@H](C(=O)N3CCSCC3)C2)nc2ccccc21 2298207539 VDPSFMFJFUXNSG-HNNXBMFYSA-N 346.456 1.354 0 40 EDAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 16676940 PBTKNYLVBXDIMG-TXEJJXNPSA-N 337.445 1.829 0 40 EDAB COc1ccc(N[C@@H](C(N)=O)c2ccccc2)cc1NS(C)(=O)=O 30026612 BEZGRXIXLIZDIP-OAHLLOKOSA-N 349.412 1.705 0 40 EDAB COc1ccc(OC)c(CN2CCN(C(=O)c3cnccn3)CC2)c1 30109155 NQGGQXVWRMYMFU-UHFFFAOYSA-N 342.399 1.452 0 40 EDAB O=C(C1=NN(c2ccccc2)C(=O)CN1)N1CCOc2ccccc21 40091066 POGVIMAUDUKRAY-UHFFFAOYSA-N 336.351 1.362 0 40 EDAB CCOc1ncccc1CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O 30308740 WMEPCPHLAPIDGS-OAHLLOKOSA-N 342.399 1.376 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNCc1cccc2c1OCO2 40119937 LHDDVOKWIYTWDB-UHFFFAOYSA-N 348.424 1.955 0 40 EDAB CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)NC(C)(C)C1=O 40161861 FNFWFYCAWJYMTE-UHFFFAOYSA-N 329.809 1.690 0 40 EDAB CN1C[C@H](C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)CC1=O 50379460 NHVBDWNYDDBWJR-GDBMZVCRSA-N 334.391 1.812 0 40 EDAB CC(C)(C)n1nc(C2CC2)cc1C(=O)N[C@H]1CCS(=O)(=O)C1 40540226 YOLIRKOWYCXZJW-NSHDSACASA-N 325.434 1.432 0 40 EDAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OC 40535599 XSBKEUAHFONGGT-VXGBXAGGSA-N 341.429 1.624 0 40 EDAB Cc1cc2c(nc1C)oc1c(=O)n(CC(=O)N3CCCC3)cnc12 32095986 UAGVINSPXDFOEV-UHFFFAOYSA-N 326.356 1.777 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1nnc2n1CCCC2 41141235 ZCBWMXXKALAEIX-ZBEGNZNMSA-N 328.372 1.459 0 40 EDAB Cc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1 32912419 FZNGGCDZIXJUIP-CABZTGNLSA-N 344.230 1.907 0 40 EDAB O=C(N[C@H]1C(=O)NN[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 465609 NBWUKGASCBKUCZ-ZIAGYGMSSA-N 333.750 1.953 0 40 EDAB C[C@@H](C(=O)OCC(=O)c1ccc[nH]1)N1C(=O)c2ccccc2C1=O 2623135 ISQZOEUXQJIFHI-JTQLQIEISA-N 326.308 1.425 0 40 EDAB CCCCN1C(=O)NC(=O)[C@]2(Cc3cc(C)ccc3N(C)C2)C1=O 2605360 FGOYTGPFURHLSP-GOSISDBHSA-N 329.400 1.852 0 40 EDAB C[C@H](CNC(=O)C(=O)c1ccc(C(C)(C)C)cc1)N1CCN(C)CC1 69951811 ONODOJPFFDKACP-OAHLLOKOSA-N 345.487 1.919 0 40 EDAB O=C(NC1CCN(c2ncccn2)CC1)c1ccc2c(c1)OCCO2 46610792 RTWGGPMNVXPTCS-UHFFFAOYSA-N 340.383 1.647 0 40 EDAB CN1CCN(C(=O)Cc2cccc(NC(=O)c3cccnc3)c2)CC1 78971716 OZXKJTILQAEUQA-UHFFFAOYSA-N 338.411 1.650 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 53434894 YSOKSERHZRYEDR-HNNXBMFYSA-N 330.384 1.981 0 40 EDAB COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)NCC(=O)O)cc1 4891595 INDGRQVDAVXDRE-LCYFTJDESA-N 344.323 1.260 0 40 EDAB Cc1cc(C)c(OCC(=O)OCC(=O)NC[C@H]2CCCO2)c(C)c1 6551956 QYAIKGLABSRFHG-OAHLLOKOSA-N 335.400 1.829 0 40 EDAB NC(=O)C1CCN(C(=O)CCCn2cc(Br)cn2)CC1 71828030 BSCGDQLJBFSYNP-UHFFFAOYSA-N 343.225 1.150 0 40 EDAB C[C@H](C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)n1cccn1 71854070 ICKIHHUYUYHYRE-CYBMUJFWSA-N 341.415 1.785 0 40 EDAB FC(F)(F)c1nnc2sc(-c3cccc(-n4cnnn4)c3)nn12 61718203 OKXYLAXDXFGILX-UHFFFAOYSA-N 338.278 1.847 0 40 EDAB CC(C)NC(=O)Nc1ccc(CNC(=O)c2cc[n+]([O-])cc2)cc1 43107599 GATKEASHNGUKMU-UHFFFAOYSA-N 328.372 1.780 0 40 EDAB CNC(=O)c1ccc(CN(CC(=O)Nc2cc(C)on2)C2CC2)cc1 25189858 FUEJYAJXRVDJQF-UHFFFAOYSA-N 342.399 1.946 0 40 EDAB COC(=O)C1CCN(C(=O)COC(=O)c2[nH]nc3ccccc23)CC1 25480932 TWHKOVAHESXCKC-UHFFFAOYSA-N 345.355 1.131 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cccnc1Cl 25757323 WRPIUPJERZGJSW-UHFFFAOYSA-N 332.791 1.897 0 40 EDAB Cn1nc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)ccc1=O 25913298 DEJLFBBBQYPDCC-UHFFFAOYSA-N 325.368 1.515 0 40 EDAB Cc1noc(CN(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)n1 43801802 TYZFFZCCSVZBFV-LLVKDONJSA-N 327.431 1.629 0 40 EDAB Cc1cc(N2CCC[C@@H](C(N)=O)C2)n2nc(C(F)(F)F)nc2n1 26693175 NQPCIXLKYRKQME-MRVPVSSYSA-N 328.298 1.153 0 40 EDAB Cc1nc2ccc(NCC(=O)N[C@H]3CCS(=O)(=O)C3)cc2s1 57524517 AOFXRAOCGYRIIN-NSHDSACASA-N 339.442 1.320 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)NCc1ccccc1 102593504 RZTGVAXRTUTHCG-UJARPBSLSA-N 336.391 1.356 0 40 EDAB O=C(Cc1ccccc1F)NC[C@H]1CCN(CCN2CCOCC2)C1 58007670 ATLVBTOFCUGXNI-MRXNPFEDSA-N 349.450 1.139 0 40 EDAB O=C(NC(=S)Nc1ncccc1O)c1ccc2nsnc2c1 57313544 BJJKVODURXXKOE-UHFFFAOYSA-N 331.382 1.919 0 40 EDAB O=C(NCCc1ccccc1)c1ccccc1CN1C(=O)CNC1=O 12690069 MQIKSGBTEPFDJK-UHFFFAOYSA-N 337.379 1.711 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@@H](C)n3cncn3)CC2)cc1F 27581811 LURNECBGVMOAGV-CYBMUJFWSA-N 347.394 1.331 0 40 EDAB Cc1cc(C)n(Cc2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)n1 27970757 QWFRSYCLACWQAR-INIZCTEOSA-N 347.440 1.465 0 40 EDAB C/C=C/C=C/C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 20867765 HBAJFVSTHCHTDK-MQQKCMAXSA-N 346.339 1.781 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(c2cnccn2)CC1 44896507 UYEXMLDLAISDRY-UHFFFAOYSA-N 340.383 1.139 0 40 EDAB C[C@@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)NC1CC1 10241724 JEELJQSAUWRNJX-MRVPVSSYSA-N 345.804 1.567 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 58245145 VJIMKWOKQSOAAK-ZDUSSCGKSA-N 340.445 1.436 0 40 EDAB O=C(CSCc1ccccn1)NCCNC(=O)c1ccccc1 48246362 ZZVFGXKXOHEAPW-UHFFFAOYSA-N 329.425 1.861 0 40 EDAB O=C(NCCCCN1CCOCC1)c1cncn1-c1ccccc1 48285052 MUIQJVXWBQASBX-UHFFFAOYSA-N 328.416 1.715 0 40 EDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N[C@H]1CCN2CCCC[C@H]12 44941956 DCROPQAJJPNSHZ-QWHCGFSZSA-N 343.349 1.610 0 40 EDAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2cccc(F)c2)n1 102015032 KRGONKNMLGXJML-XUXIUFHCSA-N 342.330 1.132 0 40 EDAB Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c2c(=O)[nH]n(C)c2n1 58380198 VKLDULLMPNFIEJ-QWHCGFSZSA-N 330.388 1.354 0 40 EDAB COc1ccc(OC[C@H](O)Cn2cnc3ncccc3c2=O)cc1 58434676 AWVJUBWUUAZLQR-GFCCVEGCSA-N 327.340 1.240 0 40 EDAB COC(=O)c1cccc(NC(=O)NCC(=O)NCC(F)(F)F)c1 58421645 JCUGNXZNDWGONA-UHFFFAOYSA-N 333.266 1.273 0 40 EDAB COc1cccc(NC(=O)[C@@H](C)Nc2cccc(OCC(N)=O)c2)c1 28355951 ZBSPAUZVXXHUCE-GFCCVEGCSA-N 343.383 1.998 0 40 EDAB CCC[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 11238828 ZJRBEZHAXWHWGI-HNNXBMFYSA-N 339.399 1.788 0 40 EDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O 48324446 IZGAKQQRGQDMFJ-CQSZACIVSA-N 328.365 1.027 0 40 EDAB CCOC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 36966757 NGCMCAJPWMHHEN-UHFFFAOYSA-N 343.401 1.470 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 29646342 GOWFEFONVCYLHA-CQSZACIVSA-N 338.791 1.944 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc2c(c1)OCO2 12986489 INMLPDQPKADGSP-JTQLQIEISA-N 330.392 1.442 0 40 EDAB O=C(COC(=O)c1[nH]nc2ccccc12)NC(=O)NC1CCCCC1 4036729 SCFFCVWWFNVEPA-UHFFFAOYSA-N 344.371 1.878 0 40 EDAB CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccccn2)CC1 306138433 RXKQTZCAFGOVDG-UHFFFAOYSA-N 340.431 1.261 0 40 EDAB Cc1cnn(C[C@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)c1 71185910 OYDSFKCPSIZRSS-QGZVFWFLSA-N 340.427 1.482 0 40 EDAB CCN1C(=S)N(c2ccccc2OC)[C@H]2CS(=O)(=O)C[C@@H]21 9061294 FVAHYBWNLBPZBF-RYUDHWBXSA-N 326.443 1.288 0 40 EDAB COc1cc([C@H]2CC(=O)N=C3NC(C)=NC(O)=C32)cc(OC)c1O 9042324 ZAOHSMWTMOBSBL-SECBINFHSA-N 331.328 1.613 0 40 EDAB C[C@H]1CCCCN1CCCNC(=O)Cn1cnc2ccccc2c1=O 71924345 QIBBTLGEHNCSCX-HNNXBMFYSA-N 342.443 1.777 0 40 EDAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CC(=O)O)cc1 5150102 KHJBCSQZALHKQT-UHFFFAOYSA-N 327.340 1.099 0 40 EDAB C[C@H](NC(=O)Cn1[nH]c(=O)ccc1=O)c1ccc(C(F)(F)F)cc1 65399419 KYANOAXTNTYOEB-VIFPVBQESA-N 341.289 1.433 0 40 EDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NCCN(C)C2CC2)CC1=O 65447203 HCRMMRNMSJYYJO-GDBMZVCRSA-N 329.444 1.807 0 40 EDAB O=C(NC1CCCC1)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 65490502 ZSQRNBLIGYQTHR-INIZCTEOSA-N 336.457 1.517 0 40 EDAB C[C@H]1CN(Cc2nc3c(cnn3C)c(=O)[nH]2)C[C@H](c2ccccc2)O1 65415555 ZRHQVSBIQKIXLB-SWLSCSKDSA-N 339.399 1.619 0 40 EDAB Cc1ccc(OCCCNC(=O)CSc2nnnn2C2CC2)cc1 65589978 QXNAWVHGTMYNQE-UHFFFAOYSA-N 347.444 1.994 0 40 EDAB CC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2)C1=O 14201328 HSXLSTAMSOYZRY-IAQYHMDHSA-N 326.780 1.800 0 40 EDAB Cc1cc(C)cc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 67557316 KAWVGECQFCFDTL-ZDUSSCGKSA-N 325.434 1.849 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1F)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 15623906 WKRNANRNTLQAMO-IACUBPJLSA-N 330.359 1.782 0 40 EDAB C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 67838816 VEWOQOIDTRTFKW-AJNSSVRESA-N 328.478 1.645 0 40 EDAB COCCCN1CC2=C(C1=O)[C@@H](c1ccc(OC)cc1)NC(=O)N2 7573160 DCTLLIDQWLGIGB-OAHLLOKOSA-N 331.372 1.182 0 40 EDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NCC1CCCCC1 7675880 BWTQAUQULKCDEF-UHFFFAOYSA-N 343.383 1.776 0 40 EDAB CC(C)CN(C(=O)CSc1nccn1C)[C@H]1CCS(=O)(=O)C1 7738717 CMKQQWZDGPHUFZ-LBPRGKRZSA-N 345.490 1.184 0 40 EDAB O=C(/C=C/c1ccc(Cl)cc1)NCCNC(=O)c1cnccn1 7871444 PIKYWPLOCOFEKK-ZZXKWVIFSA-N 330.775 1.689 0 40 EDAB O=C(c1cncc(Br)c1)N1CCN(c2ncccn2)CC1 8112872 MNVRFCSWQVCVDE-UHFFFAOYSA-N 348.204 1.597 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H]2C=C[C@H](CO)C2)C1=O 81766702 BCKUBQMRBJPIFD-MELADBBJSA-N 330.384 1.244 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCCC[C@H]1C1OCCO1 69209978 NYTHSMMNMFTFRR-ZDUSSCGKSA-N 333.356 1.881 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)c1 70038482 RLPXQMGKSHEROF-INIZCTEOSA-N 338.411 1.839 0 40 EDAB CCN(C(=O)Cn1cncn1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 69350899 NTRXGDFPPFEKKK-RDJZCZTQSA-N 327.432 1.962 0 40 EDAB CC(=O)N(C)c1nc(CN2CCO[C@H](Cn3cccn3)C2)cs1 69385498 IJKCFTIZUQXZBI-AWEZNQCLSA-N 335.433 1.223 0 40 EDAB C[C@H]1CN(CC2CCN(c3nccc(N(C)C)n3)CC2)C[C@H](C)O1 91478867 VPGYUPAHTUFNLE-GJZGRUSLSA-N 333.480 1.868 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N[C@H](C)[C@@H]3CCCO3)CC2=O)cc1 69421300 UCIQEOZTJUAQCZ-UNEWFSDZSA-N 346.427 1.727 0 40 EDAB Cc1occc1C(=O)NCC(=O)Nc1nnc(-c2ccccn2)s1 69557739 OHMAXTPIJDFSOW-UHFFFAOYSA-N 343.368 1.870 0 40 EDAB C[C@H]1C(=O)N(CC(=O)NCC(F)(F)F)C(=O)N1c1ccc(F)cc1 69573395 VACDTEAECIIXNU-QMMMGPOBSA-N 347.268 1.661 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCCN(Cc2cnn(C)c2)CC1 69774592 OZCVIWLRYVFLSR-UHFFFAOYSA-N 331.420 1.302 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Nc1cc(F)ccc1OC[C@@H]1CCCO1 69740648 GMVRUJMBNJNUPP-PWSUYJOCSA-N 339.367 1.640 0 40 EDAB CCCCS(=O)(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 69814648 YBCUZYFWIBAPSB-UHFFFAOYSA-N 334.463 1.302 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 97080023 BOEINSVBNXHWLS-JTQLQIEISA-N 346.277 1.234 0 40 EDAB CC(C)c1ncc2c(n1)CN(C[C@H](O)COC[C@@H]1CCCO1)CC2 72268759 FKERWZSCBHNHNQ-HOTGVXAUSA-N 335.448 1.515 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H]1CCc3nccn3C1)C2 72278750 MUANPHFRUGRCDM-KBPBESRZSA-N 327.384 1.574 0 40 EDAB CCc1nc(CCNC(=O)NC[C@H]2CN(C)CCN2C)sc1C 72277854 NUVCBXQUUTYZMK-ZDUSSCGKSA-N 339.509 1.101 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1CCO[C@H](CN(C)c2cccnn2)C1 84692193 FPEYAMYQENHUGN-HZPDHXFCSA-N 347.463 1.015 0 40 EDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1c[nH]c3ncccc13)CC2 95410614 UXBGBUSZPFXWJW-CVEARBPZSA-N 343.427 1.884 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1COCCN1S(=O)(=O)Cc1ccccc1 95458977 YRZBAXHYCAOELB-MRXNPFEDSA-N 349.456 1.940 0 40 EDAB Nc1c(N2CCN(c3ccccc3O)CC2)ncnc1-n1cccn1 95415887 UVAYDUMIAJUPGI-UHFFFAOYSA-N 337.387 1.277 0 40 EDAB CN(Cc1ccccc1NC(=O)NC[C@@H](O)CO)C1CCCCC1 95446465 TTXHJNMZMIMSKC-MRXNPFEDSA-N 335.448 1.926 0 40 EDAB Cc1cc([C@@](C)(O)CNS(=O)(=O)c2ccc3cn[nH]c3c2)c(C)o1 95433222 YQBWXFMGUOYXPL-INIZCTEOSA-N 349.412 1.959 0 40 EDAB Cn1nccc1NC(=O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 95448062 KHVVVGUPDKYZRI-LBPRGKRZSA-N 345.378 1.283 0 40 EDAB Cc1nnnn1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 95412990 BRKFUTFCAOULKW-AWEZNQCLSA-N 343.387 1.507 0 40 EDAB CCc1nncn1CCNS(=O)(=O)Cc1ccc(F)c(Cl)c1 95439756 DEOMRDCYZPSAGA-UHFFFAOYSA-N 346.815 1.753 0 40 EDAB O=S(=O)(C1CC1)N1CCC(Nc2cncc(-n3cccn3)n2)CC1 84930362 YGAJUJDGNBGPJI-UHFFFAOYSA-N 348.432 1.031 0 40 EDAB O=C(CCNC(=O)N1CCCN(CC(F)F)CC1)NC1CCCC1 95980763 QVXDNTXQWHOWBJ-UHFFFAOYSA-N 346.422 1.418 0 40 EDAB CC(=O)N1CCN(c2cc(CNC(=O)c3ccco3)ccn2)CC1 95953261 OTQGQKFUMMCFKN-UHFFFAOYSA-N 328.372 1.273 0 40 EDAB CN1CC[C@@H](NC(=O)NCCc2ccc(Br)s2)C1=O 89375005 JMNHHPJLKFOJBF-SECBINFHSA-N 346.250 1.583 0 40 EDAB COc1ccccc1[C@H](CNC(=O)CSC)NC(=O)CSC 75610992 OUZOLUQSGZFRMP-LBPRGKRZSA-N 342.486 1.695 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CC(=O)NC1CCOCC1 75605281 DQUNSZUFCFUPJD-ZDUSSCGKSA-N 340.855 1.814 0 40 EDAB CCn1ccnc1[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H](C)c1nc(C)no1 1548453493 JZETUWSEMLIAFD-CYZMBNFOSA-N 348.407 1.827 0 40 EDAB CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC 408702008 JHVMXPSJNQWQPK-UHFFFAOYSA-N 340.445 1.962 0 40 EDAB CCc1cnc2c(c1NCCc1ccccc1)c(=O)n(C)c(=O)n2C 24000012 NMVKEXZMBAHDNF-UHFFFAOYSA-N 338.411 1.849 0 40 EDAB CN1CC[C@H](CNC(=O)c2cccc(I)c2)C1 42418521 ODAPZPVFOWHOJO-SNVBAGLBSA-N 344.196 1.973 0 40 EDAB COCCNC(=O)c1ccccc1NS(=O)(=O)C(F)(F)F 69323493 LXLPCXDELYRDRQ-UHFFFAOYSA-N 326.296 1.324 0 40 EDAB CNC(=O)[C@@H]1CCCc2sc(/C=C/c3cn(CC(=O)O)nn3)nc21 555463680 OQDCRVQCAPBJLI-BRAIEQGRSA-N 347.400 1.156 0 40 EDAB CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(CC)CC1)cn2C 22237352 IUJKBOSWUWOCES-UHFFFAOYSA-N 343.427 1.715 0 40 EDAB Cc1sc(=O)n(CC(=O)N2CC(C)(C)[C@H]2c2nccn2C)c1C 1550804944 RZAIGAGIMLCHHZ-CYBMUJFWSA-N 334.445 1.870 0 40 EDAB CNC(=O)CNC(=O)c1oc2cc(Br)ccc2c1C 526052247 JHGNSSRXXQQZRD-UHFFFAOYSA-N 325.162 1.980 0 40 EDAB CO[C@@H](C)CS(=O)(=O)N1CCc2c(F)ccc(C(=O)O)c2C1 530150599 HBDFTEQLGANIOJ-VIFPVBQESA-N 331.365 1.247 0 40 EDAB Nc1nc2nc([C@@H]3CCN(C(=O)c4cnccn4)C3)ccc2s1 72368302 NXICTNYYOQUDCD-SECBINFHSA-N 326.385 1.693 0 40 EDAB CCOCCCNc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)O 217547768 KLXKNMPSAKWEKR-UHFFFAOYSA-N 344.433 1.910 0 40 EDAB O=C(c1ccc(-n2cnnn2)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 71334857 VOIXNWZGFQLDJQ-WMLDXEAASA-N 327.388 1.430 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCO 217523965 BCBZDHUFMVUAGV-JTQLQIEISA-N 330.406 1.256 0 40 EDAB COC(=O)[C@H]1C[C@@H](O)CN1Cc1csc(Cc2ccccc2)n1 185498655 CCWLJBDMNXJLCS-HUUCEWRRSA-N 332.425 1.842 0 40 EDAB O=S(=O)(c1ccc(Nc2ccn(CCO)n2)cc1)C(F)(F)F 75146914 IBNQKRYEVGNVCD-UHFFFAOYSA-N 335.307 1.913 0 40 EDAB CCN(CC)C(=O)CN1CCN(C(=O)c2cccc(C)c2O)CC1 32837376 NPCAESAEGKSSQJ-UHFFFAOYSA-N 333.432 1.327 0 40 EDAB COc1cccc(S(=O)(=O)NC[C@@H](O)c2cc(C)oc2C)c1 1565519293 BWSNLLVAVXMLKK-OAHLLOKOSA-N 325.386 1.917 0 40 EDAB Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(=O)N(C)C1 78769674 NFRDTJPUMNDLSV-TZMCWYRMSA-N 347.440 1.313 0 40 EDAB O=C(Nc1ccc(N2CCCCC2)cc1)c1n[nH]c(-n2cnnc2)n1 32508810 XAGGNWHDMFCNEJ-UHFFFAOYSA-N 338.375 1.628 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)O 71334091 FWIJZIUADHGHTN-MEDUHNTESA-N 335.404 1.128 0 40 EDAB COc1cccc2sc(OC3CN(C(=O)c4ccn(C)n4)C3)nc12 85556066 IFLKQLAPYLBWGI-UHFFFAOYSA-N 344.396 1.942 0 40 EDAB Cc1cc(F)cc2c1N(S(=O)(=O)[C@@H](C)C(=O)N(C)C)CCC2 193932488 SZWUMDGQLFKATH-NSHDSACASA-N 328.409 1.693 0 40 EDAB CSCC[C@](C)(O)CNC(=O)CCS(=O)(=O)c1ccccc1 75157518 BJJOXEHXDYESPZ-HNNXBMFYSA-N 345.486 1.471 0 40 EDAB C[C@@H]1CN(C(=O)c2cc(NC(=O)c3ccco3)n(C)n2)C[C@@H](C)O1 40745770 OLIGYUITZHZQTN-GHMZBOCLSA-N 332.360 1.515 0 40 EDAB Cc1ccc2c(c1)O[C@H](C(=O)N[C@@H](C)C(C)C)CN2S(C)(=O)=O 225218681 GCEKYTOWUDKCSJ-WFASDCNBSA-N 340.445 1.683 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)c2c(F)ccc(F)c2F)CC1 195567082 ATTVSYOXBJMBIZ-UHFFFAOYSA-N 336.335 1.258 0 40 EDAB Cc1ccc2c(n1)N(CCn1cccn1)CCN(c1ncccn1)C2 96199108 LFAWEEGEIBUEMR-UHFFFAOYSA-N 335.415 1.903 0 40 EDAB Fc1cnc(N2CCC[C@@]3(C[C@@H](Oc4ncccn4)CO3)C2)nc1 96222548 LUTZCIJPDNDECI-CZUORRHYSA-N 331.351 1.613 0 40 EDAB O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(c1ncc(F)cn1)C2 96217500 GDPVINBARMTYRJ-YVEFUNNKSA-N 343.362 1.032 0 40 EDAB NC(=O)c1ccc(CN2CCN(C(=O)/C=C/C3CCC3)CC2)cc1 96454198 PSVVTOMDMXUYSU-RMKNXTFCSA-N 327.428 1.786 0 40 EDAB COc1ccc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c(C)c1F 96501589 OEMACMHWCRFVAE-LBPRGKRZSA-N 330.425 1.715 0 40 EDAB CN1C(=O)C2(CCN(S(=O)(=O)N(C)C)CC2)[C@H]1c1ccccc1 96080440 RZNNBHSQOIJDCJ-CQSZACIVSA-N 337.445 1.088 0 40 EDAB CNC(=O)CN1CCOC[C@@]2(CCCN(Cc3ccc(C)o3)C2)C1 96049483 AAPMMTTZKFNIQT-GOSISDBHSA-N 335.448 1.248 0 40 EDAB COC[C@H]1C(=O)NCC12CCN(C(=O)c1ccc(C)c(C)c1)CC2 96206623 VPKJDETVQDJRPH-INIZCTEOSA-N 330.428 1.918 0 40 EDAB CN(CCN1CCCC1)C(=O)COc1cncc(Br)c1 96500753 BBQBKKRJENYQFG-UHFFFAOYSA-N 342.237 1.777 0 40 EDAB Cn1cc(CN2CCC3(CCCCN3S(C)(=O)=O)CC2)cn1 96093775 LQFKKFLNCRWOAK-UHFFFAOYSA-N 326.466 1.200 0 40 EDAB COCCN1C[C@@H](C)[C@@]2(COCCN(C(=O)c3cccs3)C2)C1 96202388 REDNKGPFYCBOLW-PBHICJAKSA-N 338.473 1.805 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)S1 96443761 NVICWNNWPVJYFP-LLVKDONJSA-N 333.461 1.538 0 40 EDAB O=C(c1ccco1)N1CCO[C@@H]2[C@@H](COc3ncccn3)CC[C@H]21 96250013 MAPATMAYTRBABP-UMVBOHGHSA-N 329.356 1.768 0 40 EDAB COCCN1C[C@@H](C)[C@@]2(COCCN(C(=O)c3ccccn3)C2)C1 96202387 BOLGGTMMNLLCDZ-QAPCUYQASA-N 333.432 1.139 0 40 EDAB Cc1ccc(N2CCO[C@@H]3CN(c4ncc(F)cn4)CC[C@@H]3C2)nn1 96249794 KEQVSYXJVCMZCN-UKRRQHHQSA-N 344.394 1.446 0 40 EDAB O=C(COCCc1ccccc1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 583620379 BXJYICQZBNFIIJ-KZNAEPCWSA-N 333.428 1.634 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCc1cscn1 583623161 VIWRLAZJWBYCEL-JSGCOSHPSA-N 335.433 1.823 0 40 EDAB COCC(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 96038285 OWYLPMZJOSNMTC-UHFFFAOYSA-N 343.431 1.682 0 40 EDAB O=C1CCCN1C[C@H]1CN(Cc2ccccn2)Cc2nccn2C1 96188427 CUSRLRAUWNBDON-HNNXBMFYSA-N 325.416 1.533 0 40 EDAB COc1ccc(-n2ccnc(N3CCC(C(=O)O)CC3)c2=O)cc1 96530512 MLEAEXFWAXTIGS-UHFFFAOYSA-N 329.356 1.542 0 40 EDAB CN(CC(=O)NCc1ccccc1)[C@H]1CCCC[C@H]1S(C)(=O)=O 245338979 PTICWOPDEFABMG-JKSUJKDBSA-N 338.473 1.590 0 40 EDAB CCOC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)[nH]n2)cn1C 584908623 JZRUMBVPWOGENL-UHFFFAOYSA-N 332.769 1.379 0 40 EDAB C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1 585085914 WGTNZIQQZAXZSK-INWMFGNUSA-N 344.459 1.840 0 40 EDAB Cc1cccc(O[C@H](C)C(=O)N2CC[C@H](n3cc(C(=O)O)nn3)C2)c1 585088469 BZWRCAMQPRMMSV-OLZOCXBDSA-N 344.371 1.526 0 40 EDAB CC(C)C(=O)N1C[C@@H]2COCCN2C2(C1)CN(C1CCCCC1)C2 604382001 YIHSGSKPXNLUCV-QGZVFWFLSA-N 335.492 1.573 0 40 EDAB biogenic,in-vitro CN(C)c1nccc(CNC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)n1 539419083 GYWHLUMKALJTAJ-CYBMUJFWSA-N 345.447 1.340 0 40 EDAB CCCCN(C)c1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cc1 585145976 ZGNOABVZXBGWCO-UHFFFAOYSA-N 346.475 1.602 0 40 EDAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)c2cnn3cccnc23)C1 257199759 AASGYVUYTVSLQZ-GDBMZVCRSA-N 341.415 1.592 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3C[C@@H](O)[C@H](N4CCOCC4)C3)cc2c1C 257308610 TXJDMRWPLPSNCB-QZTJIDSGSA-N 343.427 1.302 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)no1 24656224 BFBCGQZMVGQUJW-SNVBAGLBSA-N 329.312 1.703 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3ncc(C)s3)C2)n1 257326122 WVXFCJDKALFJFM-ZDUSSCGKSA-N 332.429 1.723 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257290905 QETZAMZZVORQAQ-HNNXBMFYSA-N 329.404 1.700 0 40 EDAB Cc1noc(C)c1-c1cnc(C[C@H]2CCN(CC(=O)N(C)C)C2)cn1 257283473 OYMKLMXSNIUEDY-CQSZACIVSA-N 343.431 1.701 0 40 EDAB CCc1noc(C)c1C(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257310021 UDJXMAJHWXZWJT-CQSZACIVSA-N 344.415 1.996 0 40 EDAB COC(=O)[C@@H]1CCn2c(nnc2C(=O)Nc2ccc(C)c(C)c2)C1 601045626 XNPNAXJKQAKGTN-GFCCVEGCSA-N 328.372 1.883 0 40 EDAB Cc1ccc(-c2ccnn2C)cc1NC(=O)N1CCNC(=O)[C@@H]1C 281313619 IRLSQZWYQTXNLT-LBPRGKRZSA-N 327.388 1.748 0 40 EDAB CCC[C@@]1(COC)CCCN1S(=O)(=O)c1cncc(C(=O)O)c1 570088539 IYFWMXAGFJZBIZ-HNNXBMFYSA-N 342.417 1.750 0 40 EDAB CC(=O)N1CCC[C@H](NC(=O)c2cc[nH]n2)[C@@H]1Cc1ccc(F)cc1 585281016 RNTLEGADAPTEQA-RDJZCZTQSA-N 344.390 1.901 0 40 EDAB CCN1CC[C@@]2(CN(C(=O)c3ocnc3C)CC(F)(F)C2)C1=O 585093388 TYRJLUNDRPDRBV-CQSZACIVSA-N 327.331 1.703 0 40 EDAB O=C(NC[C@@H]1CCCNC1=O)c1ccc2nc(O)n(C3CC3)c2c1 668442877 OYGMFQDLEPDNLE-NSHDSACASA-N 328.372 1.333 0 40 EDAB O=C(NC1CC1)C1=NOC2(CCN(C(=O)c3ccccc3)CC2)C1 585101185 LYFZTKRKWOLVMF-UHFFFAOYSA-N 327.384 1.716 0 40 EDAB Cn1nnnc1S[C@@H](C(N)=O)c1ccc(Br)cc1 69568916 GGYUCILJZAALON-MRVPVSSYSA-N 328.195 1.291 0 40 EDAB COc1ccc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cn1 69976722 XIHPPXPODVZOOR-KRWDZBQOSA-N 341.411 1.582 0 40 EDAB O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1ccc2c(c1)OCCO2 170185655 LZCXPIKDIXMDMC-OAHLLOKOSA-N 331.343 1.989 0 40 EDAB C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1nccnc1N 43839581 XCCYKGNXSOUAOH-NWDGAFQWSA-N 340.383 1.972 0 40 EDAB C[C@H](c1nc2ccccc2s1)N(C)Cc1cc(=O)n(C)c(=O)n1C 56677733 KYEPMECUUBGKTO-LLVKDONJSA-N 344.440 1.887 0 40 EDAB Cc1cnc(N2CCN(c3ccc(-c4ccccn4)nn3)CC2)nc1 1776008281 ACACMUHIVLRKFX-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB CCc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)s1 1776008527 JQRDOZXICCSUJI-UHFFFAOYSA-N 344.502 1.844 0 40 EDAB CCc1nc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cs1 77614327 NNXULSBECNDZDQ-CZUORRHYSA-N 344.440 1.936 0 40 EDAB CC(C)(C)c1nccc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 80767330 NPMDATCGHKWIAD-CQSZACIVSA-N 332.448 1.849 0 40 EDAB COCCNC(=O)[C@H](CC(C)C)NC(=O)Cc1c(C)noc1C 89529117 MBGVVRISMDLFCX-AWEZNQCLSA-N 325.409 1.127 0 40 EDAB Cc1nnc(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)n1N 5580901 IWTXSVFLPDCBMC-UHFFFAOYSA-N 349.416 1.596 0 40 EDAB Cc1c(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)cnn1C 12121743 ARBBAYPWYXZMHY-UHFFFAOYSA-N 336.399 1.844 0 40 EDAB O=C(C1CCOCC1)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1 19345389 GMAFUZJVMNUMRN-ZDUSSCGKSA-N 327.384 1.666 0 40 EDAB O=C1N[C@]2(CCc3ccccc31)CCN(C(=O)CCn1cccn1)C2 19375203 DRBIUUPWKOVKGM-LJQANCHMSA-N 338.411 1.621 0 40 EDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1c[nH]c2ccccc12 643586302 WTVVBQVALSBDTK-ZGBCWSQGSA-N 344.411 1.398 0 40 EDAB O=C(c1ccnc(O)c1)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643585918 CCALGCGZQHANEH-GPMSIDNRSA-N 340.379 1.547 0 40 EDAB CC(C)n1cc(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)cn1 12115835 NTOWFFSDDHDKPL-UHFFFAOYSA-N 325.376 1.617 0 40 EDAB O=C(COCc1ccccc1)NCc1nc(C2CCOCC2)no1 575605298 CRIYFJUNNWYWMN-UHFFFAOYSA-N 331.372 1.797 0 40 EDAB Cc1cccc(S(=O)(=O)NCc2nc(C3CCOCC3)no2)c1 575606788 MCCKKGXSSLJXQA-UHFFFAOYSA-N 337.401 1.751 0 40 EDAB COc1nc(CNC(=O)c2cc(C)on2)nc(N2CCCCC2)n1 575604132 RDIVOMVWJGKUME-UHFFFAOYSA-N 332.364 1.097 0 40 EDAB Cc1nnsc1C(=O)NC1CN(c2cc(C(F)(F)F)ccn2)C1 1888843202 BLEXBRJALCKMKE-UHFFFAOYSA-N 343.334 1.879 0 40 EDAB CCc1ncnc(N2C[C@@H]3CN(c4ncncc4F)C[C@H]3C2)c1F 1888853458 DARZLZSHJNAPJW-QWRGUYRKSA-N 332.358 1.680 0 40 EDAB Cc1nnc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)o1 1888888346 XXNJPZZVSMUGJH-OKILXGFUSA-N 348.428 1.131 0 40 EDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCn2nccc2C1 239579093 DEMUVEVUGYDPKT-VXGBXAGGSA-N 329.356 1.510 0 40 EDAB C[C@@H]1C[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br 32382856 JVEQREPKTZFNIA-SFYZADRCSA-N 347.234 1.482 0 40 EDAB O=C(CN1CCOC1=O)N1CC[C@H](c2noc(-c3ccsc3)n2)C1 238845353 IEMAIKVMSHYHMT-JTQLQIEISA-N 348.384 1.566 0 40 EDAB Cc1ncsc1C(=O)N[C@H](CN1C(=O)COC1=O)c1ccccc1 238951836 XCAXVHHEYUJLIE-GFCCVEGCSA-N 345.380 1.901 0 40 EDAB CNCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3ncc(C)s3)n2)C1 2037835030 SDHDZGCECMZWKM-GFCCVEGCSA-N 346.460 1.829 0 40 EDAB COc1cccc(C(=O)N2CCO[C@@]3(CCCCN(C)C3=O)C2)c1 2037985533 MZCRBYKMLQGZOV-SFHVURJKSA-N 332.400 1.549 0 40 EDAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)c1cc[nH]n1)CC2 1146835300 RIYLINHDPOPZOH-CYBMUJFWSA-N 334.420 1.147 0 40 EDAB O=C(c1cccc(F)c1)N1C[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 1565542302 IWMIZXAKEHCMTH-ROUUACIJSA-N 341.386 1.946 0 40 EDAB CC(C)CNC(=O)c1ncn2c1CN(C(=O)c1csnn1)CCC2 1565545916 OHBSRPVGGGAHQG-UHFFFAOYSA-N 348.432 1.167 0 40 EDAB O=C(c1cc[nH]n1)N1CCOC2(CCN(Cc3ccncc3)CC2)C1 1565544854 TUZSEZOVVXPTSH-UHFFFAOYSA-N 341.415 1.312 0 40 EDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2cccs2)C1 2055771823 BVVJGWRFQBLVHT-QGZVFWFLSA-N 346.456 1.593 0 40 EDAB COc1c2ccc(C(=O)N3CCC(n4ccnn4)CC3)cc2nn1C 206938380 BLGNBMUAGKJOPC-UHFFFAOYSA-N 340.387 1.651 0 40 EDAB O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1cccnc1 38587862 JDUHRHUKNSRUSD-UHFFFAOYSA-N 346.456 1.182 0 40 EDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)NCCc1ccccc1)C2 585150198 FBBFQTKDAFKKNZ-MRXNPFEDSA-N 339.443 1.942 0 40 EDAB O=C(c1ccc(Cl)c(Cl)c1)N1CC(N2C(=O)[C@@H]3C[C@H]3C2=O)C1 585388491 XHYCFQVXFRIZMJ-NXEZZACHSA-N 339.178 1.823 0 40 EDAB O=S(=O)(NC[C@]1(O)C=CCCC1)c1ccc2c(c1)OCCO2 618256371 IFHCBQXPONCKMZ-HNNXBMFYSA-N 325.386 1.207 0 40 EDAB COC[C@H](C)N(C)C(=O)CCn1cnc2sc(C)c(C)c2c1=O 40553972 UZNKZIVGWGDWIN-JTQLQIEISA-N 337.445 1.958 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H](c3nncn3C)C2)c1 40527197 HKSHTQOMDQGJLL-LBPRGKRZSA-N 338.408 1.831 0 40 EDAB C[C@H](NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)C(=O)N(C)C 40540944 BTJJIGWCYULHQF-ZDUSSCGKSA-N 346.427 1.863 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)NCCCn3cccn3)ccc21 40504556 ZDXSJGUOLLXQAR-UHFFFAOYSA-N 348.428 1.161 0 40 EDAB Cc1cnc2c(S(=O)(=O)N[C@H](C)CN3CCOCC3)cccc2c1 40528166 GVIZWJBKSDYCMA-CQSZACIVSA-N 349.456 1.542 0 40 EDAB O=C(NCCc1nc2ccccc2[nH]1)c1cccc(-n2cnnn2)c1 31917393 QMDFZKQMXCARRS-UHFFFAOYSA-N 333.355 1.511 0 40 EDAB Cc1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1C(N)=O 32469635 IQVZRCCVUAKBRB-GFCCVEGCSA-N 338.429 1.284 0 40 EDAB CCOCCCNC(=O)c1nn(-c2ccc(Cl)cc2)nc1CO 21172819 FACBTQSSXNNQAW-UHFFFAOYSA-N 338.795 1.569 0 40 EDAB Cc1csc(=O)n1CC(=O)NC[C@H](c1cccc(F)c1)N(C)C 32729717 DMPQXHYFPOZHNJ-CQSZACIVSA-N 337.420 1.776 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102633899 FBVWOHLIKMFNOP-GVARAGBVSA-N 349.408 1.860 0 40 EDAB CCc1csc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 72282226 GKBQJSITNDFJEL-LLVKDONJSA-N 332.429 1.819 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(Cl)cc2)on1 11916428 ORLVUCLAJFRGIZ-NSHDSACASA-N 340.788 1.912 0 40 EDAB Cn1ccc(C(=O)NCc2cccnc2OCC(F)(F)F)cc1=O 33108907 WMPVPHDGSMXRRT-UHFFFAOYSA-N 341.289 1.651 0 40 EDAB CNC(=O)c1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(C)no2)cc1 29931435 RSIBJXSCKNRXNQ-LBPRGKRZSA-N 330.388 1.802 0 40 EDAB Cc1cccc(C)c1OC1CCN(CC(=O)N2CCNC2=O)CC1 53014772 WEEMLXJIQJYDTI-UHFFFAOYSA-N 331.416 1.698 0 40 EDAB COCn1c2ccc(OC(C)=O)cc2c2c(=O)oc(N(C)C)nc21 1857074 ZHOWCOYSQMLCEL-UHFFFAOYSA-N 331.328 1.738 0 40 EDAB CNC(=O)Cc1noc(CN2CC=C(c3ccc(O)cc3)CC2)n1 79020143 RMTOCLSDYWRJGR-UHFFFAOYSA-N 328.372 1.353 0 40 EDAB CCS(=O)(=O)N(C)CC(=O)N1CCc2cc(F)ccc2[C@H]1C 79018397 JGEOZGXLHVXPPN-LLVKDONJSA-N 328.409 1.553 0 40 EDAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC1CCCC1 22832653 SRYHJEHAQZLOSK-MRXNPFEDSA-N 336.457 1.822 0 40 EDAB CCOc1ccccc1-n1nnc(C(=O)NCc2ccco2)c1N 4985150 BCOYPUPOPXTWGB-UHFFFAOYSA-N 327.344 1.771 0 40 EDAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(-n2cnnn2)cc1 12296554 XIBFKDANJNZHJK-DOTOQJQBSA-N 340.431 1.657 0 40 EDAB biogenic C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCCC(N)=O 42927469 UOGRNHZMVLYECQ-SECBINFHSA-N 329.194 1.598 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)CCCN1C(=O)NC(C)(C)C1=O 24634517 NUMPQVJEQYPCQF-UHFFFAOYSA-N 335.379 1.895 0 40 EDAB COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCCCC1 25173329 ZQPLIIBVLMLLIW-CYBMUJFWSA-N 336.432 1.770 0 40 EDAB CNC(=O)CN1CCC(Nc2ncnc3sc(C)c(C)c23)CC1 25579393 HYAIBNODIZKKLK-UHFFFAOYSA-N 333.461 1.930 0 40 EDAB CC1CCN(c2ccc(=O)n(CC(=O)NCc3ccncc3)n2)CC1 61718489 ITINTQCXCHFBII-UHFFFAOYSA-N 341.415 1.191 0 40 EDAB CC(C)Oc1ccc(Cl)cc1C(=O)N1CCN(CC(N)=O)CC1 56968287 HFTSKHGSDLCKBA-UHFFFAOYSA-N 339.823 1.370 0 40 EDAB O=C(CCCOc1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 47647273 SVPNEXKVLXTHCI-QGZVFWFLSA-N 346.427 1.695 0 40 EDAB Cn1nccc1CNC(=O)NC1CCN(Cc2ccccc2)CC1 26395819 HZOLQFGGHIWZNP-UHFFFAOYSA-N 327.432 1.884 0 40 EDAB O=C(c1cnc2n(c1=O)CCS2)N1CCC[C@@H]1c1ccncc1 27278328 UVPZXLVWGRQMFX-CYBMUJFWSA-N 328.397 1.721 0 40 EDAB Cc1ccc([C@H](CNC(=O)[C@H](C)n2cccn2)N2CCOCC2)o1 44686057 GLXICMDDCZQYIM-GJZGRUSLSA-N 332.404 1.535 0 40 EDAB CC(C)N(C)S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 58195661 RUAYEEIQALWUGO-INIZCTEOSA-N 341.477 1.062 0 40 EDAB O=c1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)[nH]c(=O)[nH]1 44868310 WJOBWBJNBMBFRK-CQSZACIVSA-N 343.383 1.562 0 40 EDAB CC(C)(C)c1ccc(C(=O)C(=O)NC2CCN(CC(N)=O)CC2)cc1 58208843 LOBPSRTZWVXAAA-UHFFFAOYSA-N 345.443 1.233 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)N[C@H](C)C(C)C)c1 58209044 GNCLIYPCLQKBBJ-GFCCVEGCSA-N 327.450 1.580 0 40 EDAB O=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCSCC1 53818929 QZMQBJHECYEOER-NSHDSACASA-N 326.853 1.922 0 40 EDAB Cc1csc(CNC(=O)NC2CCN(c3ncccn3)CC2)n1 44952982 NOMJHEBFIMSNCF-UHFFFAOYSA-N 332.433 1.710 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCN(c2ncccn2)CC1 44971242 HFBYJFOZGIYNKT-AWEZNQCLSA-N 341.419 1.119 0 40 EDAB C[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)[C@@H]1CCCO1 27853345 RCRPYVXSULTXHX-BBRMVZONSA-N 327.384 1.589 0 40 EDAB Cn1cccc1C(=O)NC1CCN(C(=O)[C@H](O)c2ccccc2)CC1 73244055 FOFBYJKIVYCYNZ-QGZVFWFLSA-N 341.411 1.480 0 40 EDAB O=S1(=O)CC[C@@H](Nc2ncnc3c2cnn3-c2ccccc2)C1 58392449 JTNRDDWJMSOBCY-LLVKDONJSA-N 329.385 1.415 0 40 EDAB C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCOCC1 58323404 KQRMBMGPALWHSI-JTQLQIEISA-N 346.305 1.562 0 40 EDAB Cc1cc(CN2CCN(C(=O)CCc3c(C)noc3C)CC2)no1 58378023 UESUHCZVHYABPW-UHFFFAOYSA-N 332.404 1.865 0 40 EDAB CCOc1ccccc1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 58418522 AAPZDTGQSMPWMV-INIZCTEOSA-N 345.443 1.640 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNCc1ccc(CO)c(F)c1 58418973 OOTMPJUSGWGFMC-UHFFFAOYSA-N 348.422 1.486 0 40 EDAB CCNC(=O)C1(NC(=O)CN(C)C(=O)OC(C)(C)C)CCCCC1 58429395 YQLOKDPHCOQGRN-UHFFFAOYSA-N 341.452 1.809 0 40 EDAB CCn1nc(C)c2c(C(=O)N3CCN4CCC[C@@H]4C3)cc(C)nc21 28244889 KQPIWHJTZLZWRZ-CQSZACIVSA-N 327.432 1.988 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CNc2ccccc2C(N)=O)c1 24225293 AFCDYCWZLQIKEP-UHFFFAOYSA-N 333.413 1.648 0 40 EDAB CC[C@H](CO)NC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CCC4 2232413 XJYFKSMYOXOAEQ-SECBINFHSA-N 345.428 1.637 0 40 EDAB O=C1NC2=NN[C@H](c3cn(-c4ccccc4)nc3C(=O)O)[C@H]2S1 101459183 CEHFZXOEANDWKD-MWLCHTKSSA-N 329.341 1.353 0 40 EDAB C[C@@H](C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1)n1cncn1 45526322 OLJUHTVAHUXPPV-NSHDSACASA-N 349.341 1.102 0 40 EDAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CCN2CCOC2=O)C1 72230329 QGRSIHBNECCNHE-CYBMUJFWSA-N 327.425 1.770 0 40 EDAB CCc1nn(C)c2[nH]nc(NC(=O)c3ccc(-n4ccnc4)nc3)c12 72286156 VFRYQWGFFJJUHK-UHFFFAOYSA-N 336.359 1.692 0 40 EDAB CCC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245794 YXFDVJRSDQBXSM-LBPRGKRZSA-N 327.450 1.848 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(-n2nccn2)cc1 62392835 LTJXXHIQSJQGFB-VXGBXAGGSA-N 330.392 1.692 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1C 48300848 NKZMCGSQOFHTRQ-CMPLNLGQSA-N 340.449 1.161 0 40 EDAB CCC[C@H](C)NC(=O)CS(=O)(=O)c1nnc(NC(C)(C)C)s1 48365657 AFDWCBNMZQLOOM-VIFPVBQESA-N 348.494 1.827 0 40 EDAB Cc1nc2nc(S)nn2c(C)c1CCC(=O)N1C[C@H](C)O[C@@H](C)C1 12872427 UOYDOQPASIAXAH-UWVGGRQHSA-N 349.460 1.598 0 40 EDAB COc1ccc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)cc1 12853783 YFAFXTDHKHXYRE-UHFFFAOYSA-N 347.396 1.437 0 40 EDAB NC(=O)[C@H]1C[C@@H](O)CN1C(=S)Nc1ccc(Cl)cc1Cl 3414897 DKZJOQMGJJNNLE-GMSGAONNSA-N 334.228 1.611 0 40 EDAB CC1=C(C(N)=O)[C@H](c2cccnc2)N2NC(c3cccc(C)c3)=NC2=N1 13123625 SFDLCJVEEGBZRJ-INIZCTEOSA-N 346.394 1.827 0 40 EDAB CC[C@@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 4063121 RFRWZPDOUDFVBI-CYBMUJFWSA-N 333.340 1.719 0 40 EDAB biogenic C[C@@H]1CN(Cc2nc3c(cnn3C)c(=O)[nH]2)C[C@H](c2ccccc2)O1 65415554 ZRHQVSBIQKIXLB-IUODEOHRSA-N 339.399 1.619 0 40 EDAB Cc1cc(CN2CCN(C(=O)NC[C@H](C)N3CCCC3)CC2)no1 65449250 IEROCYQKYLQGPR-AWEZNQCLSA-N 335.452 1.295 0 40 EDAB C[C@H](NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)c1cccnc1 65452896 GNIAFLSIJLPZKG-JSGCOSHPSA-N 340.449 1.256 0 40 EDAB C[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)N1CCc2ccccc2C1 72309532 FNRJZWLEIBCNOR-KBPBESRZSA-N 338.473 1.230 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](n3cccn3)C2)c1 65609496 KOCNLMPWPANMHP-AWEZNQCLSA-N 333.413 1.764 0 40 EDAB CC(C)(C)c1ccccc1NC(=O)COC(=O)C1=NNC(=O)CC1 6515807 NZCIZQRVIVIZQZ-UHFFFAOYSA-N 331.372 1.732 0 40 EDAB Cc1ccc(C)c(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)c1 6549338 HGTNVFDLAZUVLO-AWEZNQCLSA-N 347.440 1.962 0 40 EDAB O=C(NCCc1ccccn1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 66019469 DGVFYPBSXLMBFG-UHFFFAOYSA-N 335.363 1.813 0 40 EDAB CC(C)NC(=O)CN1CCO[C@H](c2noc(-c3ccccc3)n2)C1 96000262 SVDKFQCFUMSZQH-AWEZNQCLSA-N 330.388 1.635 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-c2nnnn2C)c1 14516856 WQLFSZQURYBKFH-SNVBAGLBSA-N 340.343 1.227 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@@H](O)c2cccc(F)c2)c(C)c1 66218914 WIJUSUOIBJRWBL-MRXNPFEDSA-N 346.358 1.931 0 40 EDAB O=C(NC1CCCCC1)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 97238296 CYWINKPMFMAROC-OAHLLOKOSA-N 343.493 1.270 0 40 EDAB COC(=O)c1cc(NC(=O)c2ccc(=O)[nH]c2)cc(C(=O)OC)c1 15013005 SFMMREMJUZSUII-UHFFFAOYSA-N 330.296 1.200 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)no1 7057844 QRGKMUNTVXWNCA-SECBINFHSA-N 342.311 1.404 0 40 EDAB Cc1cc(F)ccc1-n1ccc(C(=O)N[C@@H]2CCN(C(N)=O)C2)n1 97371281 VSSBCESFLTWMOI-GFCCVEGCSA-N 331.351 1.203 0 40 EDAB CS(=O)(=O)CCN1CCC(NC(=O)c2ccc(Cl)cc2)CC1 68508990 TZURABOCGCGJDS-UHFFFAOYSA-N 344.864 1.579 0 40 EDAB CCN(CCNC(=O)CSc1n[nH]c(N)n1)c1cccc(C)c1 7897269 NBAWWKJGRMCZBN-UHFFFAOYSA-N 334.449 1.430 0 40 EDAB COC(=O)c1oc(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)cc1C 72675452 RUMAGSVIZBSVJN-LBPRGKRZSA-N 345.355 1.226 0 40 EDAB C[C@H](N[C@@H]1COc2ccccc2C1)c1ccc(S(N)(=O)=O)cc1 91311900 HXWBHHFOSVNHTN-WFASDCNBSA-N 332.425 1.988 0 40 EDAB C[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1cccs1 69343059 UWJVMJCSTVLLNR-GHMZBOCLSA-N 333.431 1.527 0 40 EDAB COc1ccc(COC[C@@H](O)CN2CCN(CC(C)C)CC2)cc1 69420367 IMVLXUAHNNOJPE-SFHVURJKSA-N 336.476 1.846 0 40 EDAB COc1ccc(CN(C)C(=O)CN2CCc3cncnc3C2)cc1F 69489592 BHJOGLPVKZXTAZ-UHFFFAOYSA-N 344.390 1.641 0 40 EDAB O=S(=O)(Cc1ccc(I)cc1)c1cn[nH]n1 91577758 MYVWZYRSGUYGCQ-UHFFFAOYSA-N 349.153 1.383 0 40 EDAB CCNC(=O)c1cc(NCc2ccccc2NS(C)(=O)=O)ccn1 95395754 GKSINXDGZJAESO-UHFFFAOYSA-N 348.428 1.815 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 69519671 QRBOIYBZIHTEBQ-UHFFFAOYSA-N 347.321 1.251 0 40 EDAB CCOC1CCN(C(=O)NCCC(=O)Nc2ccc(C)cn2)CC1 69531633 VTGYMNUFZLAOCP-UHFFFAOYSA-N 334.420 1.929 0 40 EDAB COCCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1cccc2c1OCCCO2 69558574 WZSWXRRYVLSEFU-XJKSGUPXSA-N 349.383 1.859 0 40 EDAB in-vitro CC(=O)N1CCN(CCNCc2c(C(C)C)nn(C)c2Cl)CC1 69680941 GQKUELWDMCJNKE-UHFFFAOYSA-N 341.887 1.451 0 40 EDAB CCOC(=O)N1CCN(C(=O)NCCc2nccn2C(F)F)CC1 69618604 DJMGETMOUZKLLN-UHFFFAOYSA-N 345.350 1.304 0 40 EDAB COc1ccc(C)cc1C1(CNC(=O)[C@@H]2CCC(=O)N2)CCOCC1 69654446 LYAALHPAWOFSOC-HNNXBMFYSA-N 346.427 1.447 0 40 EDAB C[C@@H](NC(=O)CN[C@H]1CCc2ncnn2C1)c1cc2ccccc2o1 69740480 NLCNNRBDCHIWKL-OCCSQVGLSA-N 339.399 1.806 0 40 EDAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)NCC(C)(C)N1CCOCC1 69842768 POOAXMAKKUWCCL-CVEARBPZSA-N 347.459 1.961 0 40 EDAB Cc1cc(NC(=O)CCN2CCCN(Cc3noc(C)n3)CC2)no1 69877556 IPVXPFUBFAPEHN-UHFFFAOYSA-N 348.407 1.211 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1ccc(N2CCCC2=O)cc1 71829754 UIRPTAHBDZXLJU-DZGCQCFKSA-N 343.427 1.468 0 40 EDAB O=C(NCCNc1ncccn1)[C@H]1CCCCN1Cc1cccnc1 71893293 BGYMCHVGBLIVMI-MRXNPFEDSA-N 340.431 1.454 0 40 EDAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@H](O)COc1ccc(Cl)cc1 71877709 NQFNEFRGPPLKJY-JSGCOSHPSA-N 338.791 1.896 0 40 EDAB CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)CC)CCN1C(=O)[C@@H](C)CC 84721259 CVDMQUKKXCLWLR-IHRRRGAJSA-N 326.437 1.681 0 40 EDAB O=C([C@@H]1CCCN1C(=O)c1cccc2cn[nH]c12)N1CCOCC1 71900227 LHMVGBYFDQOACG-AWEZNQCLSA-N 328.372 1.026 0 40 EDAB O=S(=O)(NCc1cc(F)ccc1Br)[C@@H]1CCOC1 71911217 LKSCTBOXKKIEQH-SNVBAGLBSA-N 338.198 1.797 0 40 EDAB CCc1cc(=O)n2nc(N[C@H](CO)Cc3ccc(O)cc3)sc2n1 95467510 ZUXFOLIRMCHIEC-LBPRGKRZSA-N 346.412 1.435 0 40 EDAB COc1ccc2nc(NC(=O)N[C@H]3CCS(=O)(=O)C3)sc2c1 74753337 CPNKBBUWFOTZSN-QMMMGPOBSA-N 341.414 1.614 0 40 EDAB Cc1ccc(/C=C/C(=O)N[C@H]2CCC(=O)N[C@H]2c2cnn(C)c2)cc1 75105589 OQFGXEVBZGATCK-ZGBSRSTJSA-N 338.411 1.878 0 40 EDAB C[C@H]1CCCN(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)C1 75133528 WWWYPYSQAHTAEM-ZDUSSCGKSA-N 340.445 1.910 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@@H](CO)OC[C@@H]2C)c2cccnc12 89626926 KIAKAJUSEHBKER-STQMWFEESA-N 336.413 1.314 0 40 EDAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CS(=O)(=O)c1ncc[nH]1 172879585 BQRTWXYOHVLXOO-SNVBAGLBSA-N 325.365 1.542 0 40 EDAB CN(C)CCn1ccc(NC(=O)N2CCC[C@H](c3ccn(C)n3)C2)n1 1553074612 VUTNVQXULBLPFM-AWEZNQCLSA-N 345.451 1.590 0 40 EDAB Cc1noc(C)c1CN1Cc2ccnn2[C@H](CC(=O)NCC2CC2)C1 306139504 SYXNHWLWIWXSCQ-MRXNPFEDSA-N 343.431 1.961 0 40 EDAB CC(=O)Nc1ccc(CNC2(Cc3cc(CO)on3)COC2)cc1 67898082 VCVPTCXGWHBPMX-UHFFFAOYSA-N 331.372 1.227 0 40 EDAB biogenic,in-vitro O=C(NCCNC(=O)[C@H](c1ccccc1)N1CCSCC1)C1CC1 69977729 FHHCTESUROXWME-INIZCTEOSA-N 347.484 1.419 0 40 EDAB C[C@H]1CCc2nn(CCNC(=O)Cc3ccc(F)cc3)c(=O)cc2C1 72342283 KHNNQUBXVFAIKZ-ZDUSSCGKSA-N 343.402 1.866 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CC[C@H]2C)cc1 557767564 PPWVNVFYDWXFQX-SUNKGSAMSA-N 326.418 1.277 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)CCN2CCCOCC(F)(F)F 77247864 PDOLBHSRBXBHHW-UHFFFAOYSA-N 338.351 1.666 0 40 EDAB Cc1ccn(-c2ccc(N3CCC[C@H](N4CCCC4=O)C3)nn2)n1 77966334 TTWFUSGWEXFDTK-AWEZNQCLSA-N 326.404 1.562 0 40 EDAB CCOC(=O)C1CCN(S(=O)(=O)c2cccc(COC)c2)CC1 71195373 JDYLUYKZOZIJEC-UHFFFAOYSA-N 341.429 1.797 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)NCc1ccccc1Cl)c1ccccc1 70639771 QFUXOTCHVKEKPV-GOSISDBHSA-N 346.814 1.980 0 40 EDAB CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)Nc2cc3c(cn2)CCC3)C1 568077468 WBWZZXJEALWKMC-KGLIPLIRSA-N 342.403 1.693 0 40 EDAB Cc1ccccc1N(CCCC(=O)NCCN(C)C)S(C)(=O)=O 223337710 JYAIVHWSGSWMII-UHFFFAOYSA-N 341.477 1.219 0 40 EDAB O=C(CNc1ccc2c(c1)OCCO2)NC(=O)NCc1ccccc1 40460988 PXUCUSGJIPOZDN-UHFFFAOYSA-N 341.367 1.896 0 40 EDAB Nc1nc(I)cc(I)n1 82046685 KCXYZQGKUXCZLR-UHFFFAOYSA-N 346.897 1.268 0 40 EDAB COc1ccccc1CN1C(=O)CC[C@H]1C(=O)Nc1nnc(C)s1 223407208 KJRPUTVWGTUAJO-LBPRGKRZSA-N 346.412 1.985 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NC2CC(F)(F)C2)[C@@H]1c1cnn(C)c1 584328056 JLAYLIZUIGDMSS-YPMHNXCESA-N 326.347 1.244 0 40 EDAB CC(C)[C@@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1nc(C2CC2)no1 96493156 BCQLRLXTZIVRMV-LALPHHSUSA-N 336.436 1.870 0 40 EDAB COC1([C@H](C)NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCC1 334137285 ZJEUMZYQJPXFKF-GJZGRUSLSA-N 339.480 1.839 0 40 EDAB c1cc(CN2CCO[C@]3(CCCN(c4nncs4)C3)C2)ccn1 96226626 DICKWILIPLBOOQ-MRXNPFEDSA-N 331.445 1.805 0 40 EDAB C[C@]1(NC(=O)CNC(=O)c2ccc(Br)o2)CCOC1 96486103 PPEMXPCYWVJUTR-LBPRGKRZSA-N 331.166 1.067 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)C1 96181804 MDGHRGKPIQKICQ-DQYPLSBCSA-N 334.391 1.983 0 40 EDAB O=C1NCCc2ccc(S(=O)(=O)N(CC(F)F)C3CC3)cc21 96407705 VWWLCROYXTWXFF-UHFFFAOYSA-N 330.356 1.391 0 40 EDAB Cc1cccc(C(=O)N2CC[C@@]3(CC(C(=O)NCC4CC4)=NO3)C2)c1 96225493 JKNFFCQQHUGTTD-LJQANCHMSA-N 341.411 1.882 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1CC[C@@H]2[C@@H](CCN2c2ccncn2)O1 96186984 BJRAIPLWPSQAIT-KFWWJZLASA-N 325.372 1.637 0 40 EDAB C[C@H](c1nc(Cc2ccccc2)no1)N1CCCS(=O)(=O)CC1 96424225 JYSPANJSTJADFO-CYBMUJFWSA-N 335.429 1.842 0 40 EDAB COC[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1C(C)C 96051779 JBFNMXUNIQXLRD-AWEZNQCLSA-N 330.494 1.690 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(C3CCOCC3)C[C@H]21 96043370 FVUVLVDKHBXYJI-FGTMMUONSA-N 345.443 1.926 0 40 EDAB CC(C)C(=O)N1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1 96244116 DTSORJZXDSKJHI-GOSISDBHSA-N 330.432 1.955 0 40 EDAB COc1cccc([C@H](O)C(=O)N2CCN(Cc3ccco3)CC2)c1 95450030 XYKWCDMPZDNRGW-KRWDZBQOSA-N 330.384 1.666 0 40 EDAB Cc1cnc(N2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccncc2)nc1 96201023 DSRFSTYPJMWRAL-MSOLQXFVSA-N 339.443 1.702 0 40 EDAB Cc1cc(C(=O)N[C@H](c2nccn2C)C2CCOCC2)nc(C)n1 583620532 PEKMQDPOHBJJFR-HNNXBMFYSA-N 329.404 1.725 0 40 EDAB CC(C)OC[C@H](O)CN1CCN(CC(=O)Nc2ccccc2)CC1 97028322 LJUUVBSXCLQLGL-QGZVFWFLSA-N 335.448 1.029 0 40 EDAB O=C(NCc1cnc2n1CCN(C(=O)c1ccsc1)C2)C1CC1 96061932 POUSWBPYUFRVPQ-UHFFFAOYSA-N 330.413 1.627 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 247341430 SFGFIFRHZMQNOS-ZDUSSCGKSA-N 340.470 1.650 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)NC1CCCCCC1 245230384 QJCXTFPFAWZWOQ-RIMFYDMWSA-N 342.439 1.879 0 40 EDAB CCCNC(=O)Cc1c(C)nc([C@@H]2CCN(C(=O)COC)C2)nc1C 257336551 YOYMGIALHCBAJF-CQSZACIVSA-N 348.447 1.124 0 40 EDAB O=C(CC(F)(F)F)N1CCC(NC(=O)C23CCCN2CCC3)CC1 585084901 SDBPCZGGDMJDFE-UHFFFAOYSA-N 347.381 1.674 0 40 EDAB NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1CCCCC1 585121033 CNDPUCVKAFLKHG-OAHLLOKOSA-N 349.406 1.177 0 40 EDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)Cn2ccnc2C)n1 257243924 IJDKPWOCMHEEMP-KRWDZBQOSA-N 341.415 1.586 0 40 EDAB O=C1CO[C@H]2CCN(Cc3c[nH]cn3)CC[C@@H]2N1c1ccc(F)cc1 257286492 PLTSNJVEXKZDLW-IRXDYDNUSA-N 344.390 1.945 0 40 EDAB Cc1nccc([C@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)n1 257319227 VRJSYPXVFBFFKP-HNNXBMFYSA-N 330.432 1.894 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(C(C)=O)C[C@@H]1c1ccccc1 257319449 VSPAHXNYYWFQCL-MRXNPFEDSA-N 339.461 1.478 0 40 EDAB Cc1cc2nc([C@H]3CCCCN3CC3(O)CCOCC3)cc(O)n2n1 257330829 XQFNUPKRQVZFNK-OAHLLOKOSA-N 346.431 1.812 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)CO[C@H](Cc1cnccn1)C2 257264402 LUEPBMVPOYHYMU-OAHLLOKOSA-N 339.399 1.521 0 40 EDAB CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=O)O)cc1 263233592 CULMIYVJSDFRBH-AWEZNQCLSA-N 333.388 1.583 0 40 EDAB COc1ccccc1NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 36596456 PRSRIKMLBQIDDK-CQSZACIVSA-N 339.351 1.775 0 40 EDAB biogenic CCNc1ncc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1Cl 1615045936 MFIFZCKUOCVEAQ-UHFFFAOYSA-N 346.840 1.020 0 40 EDAB Cc1occc1CNC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1615615268 MOJUGBGQDIKHOQ-UHFFFAOYSA-N 342.417 1.077 0 40 EDAB COc1ncc(C)cc1NC(=O)NCCCN1CCCN(C)CC1 1615817662 GRCCAJKMVCACSM-UHFFFAOYSA-N 335.452 1.548 0 40 EDAB CC1(C)CCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 607948720 KFVYYAPEVMGCQB-LBPRGKRZSA-N 330.384 1.822 0 40 EDAB O=C(c1ccc(F)cc1O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 295624228 KAJPYDKGBQHRIY-NWDGAFQWSA-N 328.343 1.953 0 40 EDAB O=C(O)CN(C1CCC1)S(=O)(=O)c1cccc2c1OCCCO2 653495097 UMCGTMVGZGVYNB-UHFFFAOYSA-N 341.385 1.476 0 40 EDAB Cc1ccccc1C[C@H]1CCN(C(=O)CN2CCCC2=O)C[C@@H]1O 585278392 DCIWVYHZJBUPGE-SJORKVTESA-N 330.428 1.369 0 40 EDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccncc2)Cc2ccnn21 585112477 RTARXZDXVUVAED-MRXNPFEDSA-N 349.460 1.164 0 40 EDAB CN(C)C[C@H]1CCn2nccc2CN1C(=O)c1ccc2c(c1)OCO2 585098577 ZLACSNDHFLFTCO-CQSZACIVSA-N 342.399 1.588 0 40 EDAB O[C@@H]1CN(CC2(O)CCOCC2)C[C@]12C[C@H](c1ccccc1)CO2 585290979 JRVHBXNVTWIDMK-YQVWRLOYSA-N 333.428 1.147 0 40 EDAB Cc1cn2nc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)sc2n1 26700786 DLBNEOCWARZZAD-GFCCVEGCSA-N 335.433 1.174 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCC[C@H](C(=O)Nc2nncs2)C1 47631360 CSWPXTRGRHCXGK-STQMWFEESA-N 345.428 1.415 0 40 EDAB CCc1noc([C@H](C)Sc2nnc(-c3ccco3)n2CC(N)=O)n1 57501575 SKKHTDWNFAHJDD-QMMMGPOBSA-N 348.388 1.822 0 40 EDAB O=S1(=O)CCC(CN2CCC[C@H](COc3ncccn3)C2)CC1 1775995547 OIIAJOFGLOIKHC-HNNXBMFYSA-N 339.461 1.392 0 40 EDAB NS(=O)(=O)c1cc(C(=O)N(C[C@H]2CCOC2)C2CC2)cs1 58425965 ZRWZWMNMXSLKJJ-SECBINFHSA-N 330.431 1.037 0 40 EDAB CC(C)OC[C@@H](O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 89887773 LAZBFSGANQESKY-YJBOKZPZSA-N 332.400 1.252 0 40 EDAB CN1C(=O)N[C@](C)([C@H]2CCCN(Cc3nnc(C4CCC4)o3)C2)C1=O 76058813 AIAUATYAUXHFCN-YVEFUNNKSA-N 347.419 1.489 0 40 EDAB CCO[C@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C12CCCCC2 76022968 UGVRIDUNMZAZLX-KBPBESRZSA-N 349.431 1.123 0 40 EDAB CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN3CCCC[C@H]23)c1 96405348 ALBBDGDWYQLSFM-HUUCEWRRSA-N 340.420 1.586 0 40 EDAB CC(C)[C@H]1OCC[C@H]1CNC(=O)Cc1ccc(-n2cnnn2)cc1 96454482 KMPGMUUJICGCDL-WMLDXEAASA-N 329.404 1.382 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 41166953 JXURAPNSKKUHAX-ZDUSSCGKSA-N 344.864 1.670 0 40 EDAB CN1CCC[C@@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C1 12195043 UGINEQMJWJSSFX-LLVKDONJSA-N 344.381 1.991 0 40 EDAB Cc1nc(C)n(CCNC(=O)c2cc3ccccc3c(=O)s2)n1 12195844 KRNIZSVHJYTYHZ-UHFFFAOYSA-N 328.397 1.900 0 40 EDAB COc1cccc(CCNC(=O)C[C@@H]2CSc3nccc(=O)n32)c1 14031323 WXDAGJKUJNIANA-CYBMUJFWSA-N 345.424 1.648 0 40 EDAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(N2CCCCC2)N1 14607668 ZISSHQFJJWBJGT-AWEZNQCLSA-N 344.415 1.754 0 40 EDAB C[C@H]1CC(=O)n2c(s/c(=C/c3ccccc3C(F)(F)F)c2=O)=N1 16608415 NPFSYBTXOYOTBK-LBTPYSACSA-N 340.326 1.809 0 40 EDAB Cc1nn(CC(C)C)cc1S(=O)(=O)NC[C@@H](C)N1CCCC1 19584263 SLRRUCTXKPENRR-CYBMUJFWSA-N 328.482 1.610 0 40 EDAB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1O 8108815 YGALIUWMEDNAAK-UQCOIBPSSA-N 340.133 1.265 0 40 EDAB Cc1cc(C)n(-c2cc(N3CCN(C(=O)C(C)(C)C)CC3)ncn2)n1 35597282 SCMVDRQSZZEZFD-UHFFFAOYSA-N 342.447 1.974 0 40 EDAB C[C@H](CC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 4412770 SISXUFPQMRMEBO-OCCSQVGLSA-N 339.413 1.027 0 40 EDAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)NC(C)(C)C 17013665 MLNKIUSKVCNKOJ-VIFPVBQESA-N 332.356 1.372 0 40 EDAB O=C(NC1CCOCC1)N1CCN(c2ncnc(C3CC3)c2F)CC1 1888844300 SDUNWEGGNUGFPK-UHFFFAOYSA-N 349.410 1.504 0 40 EDAB Cc1nc(N2C[C@H]3CN(c4ncncc4F)C[C@@H]3C2)nc(O)c1F 1888855759 HERCGQYOJWYBAQ-NXEZZACHSA-N 334.330 1.131 0 40 EDAB O=C(CN1C[C@@H]2CCC[C@]2(CO)C1)N1CCN(c2ccccc2)CC1 1888864393 DMVXSLRLHIYMLX-FXAWDEMLSA-N 343.471 1.430 0 40 EDAB O=C([C@H]1CN(c2nccc3sccc23)CCO1)N1CCOCC1 1889114103 GWMMXRWPJFLLOQ-CYBMUJFWSA-N 333.413 1.360 0 40 EDAB COc1ccc(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)cc1OC 2037983634 AWNOIOWSEALLOJ-GJZGRUSLSA-N 334.416 1.383 0 40 EDAB Cc1nocc1C(=O)N1C[C@H](c2ccccc2)[C@H]2OCC(=O)NC[C@H]21 2037984635 IARKSJJDQMQCFG-FRFSOERESA-N 341.367 1.106 0 40 EDAB CC(C)N1C[C@]2(CCN(C(=O)CC3CCOCC3)C2)COCC1=O 2037985262 DDTLNAIDHSAZBA-GOSISDBHSA-N 338.448 1.289 0 40 EDAB Cc1cc(=O)n2c(n1)CC[C@]1(CCN(C(=O)c3csnn3)C1)CC2 1614933433 IAJAEIRINVYVDW-INIZCTEOSA-N 345.428 1.272 0 40 EDAB CCc1cnc(N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)nc1 2086939613 OSXQJBURCWAOMZ-CHWSQXEVSA-N 344.394 1.555 0 40 EDAB C[C@H]1CN(c2ncnc3c2ncn3C)CCN1Cc1ccncc1F 2086967260 YPCMBVWXINDGMA-LBPRGKRZSA-N 341.394 1.608 0 40 EDAB C[C@@H]1N(C)C(=O)COC12CCN(C(=O)Cc1ccc(F)cn1)CC2 1565549046 OAKBYBIROLNLAJ-LBPRGKRZSA-N 335.379 1.002 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CCCN([C@H]2CCOC2)CC1 1565521894 DCHNPCIGJXDTAN-ZDUSSCGKSA-N 332.429 1.628 0 40 EDAB COC[C@@H]1CC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CN1C(C)C 1565544474 IEDKZLWKJJNSTP-MWDXBVQZSA-N 336.476 1.617 0 40 EDAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1ccccc1 10875399 OHFXIKIYAQSQBA-UHFFFAOYSA-N 330.409 1.809 0 40 EDAB Cc1cc(C)cc(NC(=O)CSc2ncc(CO)n2CC(N)=O)c1 17010645 VCNZLJNCLDAECF-UHFFFAOYSA-N 348.428 1.208 0 40 EDAB Cn1ccc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)n1 22906501 CXKJGKZDAPSHKF-UHFFFAOYSA-N 347.356 1.126 0 40 EDAB C[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2cnsn2)CC1 585148703 BZMITOBALOJBBC-LLVKDONJSA-N 336.392 1.793 0 40 EDAB c1cn2nccc2c(N2CCC(Oc3ccn4nccc4n3)CC2)n1 2298229776 JQOGSOJPSVJVIU-UHFFFAOYSA-N 335.371 1.820 0 40 EDAB Cc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)NC1CCCCC1 5960082 MGBJXPNGDJQVRV-UHFFFAOYSA-N 335.433 1.890 0 40 EDAB CS(=O)(=O)NCCNC(=O)C1(c2cccs2)CCCCC1 96414255 CNWHCNLVMKDBLM-UHFFFAOYSA-N 330.475 1.615 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccc2)n(C)c1 40476072 JWUSXJURXNXWDS-GFCCVEGCSA-N 335.429 1.766 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)N1CCO[C@@H]2CCCC[C@H]21 40553915 LLZLULZDMWMDEM-HZPDHXFCSA-N 342.399 1.352 0 40 EDAB O=C(Cn1cccn1)NC[C@H](c1ccccc1Cl)N1CCOCC1 40509212 SJFPZDKWRRIGQV-MRXNPFEDSA-N 348.834 1.726 0 40 EDAB CCN1CCc2c(sc3c2c(NCCOC)nc2nnnn23)C1 20533335 INVPCQDIJLLZFP-UHFFFAOYSA-N 333.421 1.170 0 40 EDAB COc1ccc([C@H]2CCCCCN2C(=O)CN2CCNC(=O)C2)cc1 51379691 MYEUOCYKSLLZKS-QGZVFWFLSA-N 345.443 1.571 0 40 EDAB Cn1c(Cl)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 240786 OKKGRLSKEVEOPR-UHFFFAOYSA-N 339.182 1.789 0 40 EDAB COc1ccc2c(ccn2CC(=O)N[C@@H](CCSC)C(=O)O)c1 32124474 LSISUWWYGFTZPO-ZDUSSCGKSA-N 336.413 1.972 0 40 EDAB biogenic CCCCN1N=C(C)[C@@H](C(=O)NCCCOCc2ccco2)C1=O 101900839 XLGQBXFHVXHPHI-HNNXBMFYSA-N 335.404 1.937 0 40 EDAB NC(=O)C1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 32758224 JPMKMKULLLAGRP-HNNXBMFYSA-N 326.824 1.415 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)CCOc2ccc(Br)cc2)C1 41132634 AHSILXSVMPKGGN-JTQLQIEISA-N 341.205 1.552 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)C[C@@H](NC(C)=O)c1cccs1 32879633 ULHYWFYTONFFGL-CMPLNLGQSA-N 325.434 1.346 0 40 EDAB CCOCCOC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 21730195 SWHRQQZPLVRTSR-UHFFFAOYSA-N 340.401 1.085 0 40 EDAB CCCCOCCCNC(=O)c1cccc(S(=O)(=O)NC)c1 33028573 CTPVLJNRJXHNDR-UHFFFAOYSA-N 328.434 1.531 0 40 EDAB O=c1onc(-c2cccnc2)n1CCS(=O)(=O)c1ccccc1 69663001 GDEPKVFBZMASSI-UHFFFAOYSA-N 331.353 1.372 0 40 EDAB CCOCCN1CCN(CC(=O)N[C@H](C)c2ccccc2C)CC1 69627183 CSRCUBUKAUYYRJ-QGZVFWFLSA-N 333.476 1.826 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cc(OC)ccn3)CCO2)n1 78889756 UOQVGKYVUMGQFX-ZDUSSCGKSA-N 331.376 1.375 0 40 EDAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3n[nH]c(C4CC4)n3)C2)n1 79487116 RKHGVUSMMTYVGU-ZDUSSCGKSA-N 341.419 1.944 0 40 EDAB C[C@@H](O)CNC(=O)CCc1nc2ncc(Br)cc2[nH]1 79478184 URURXPCVPRXFEF-SSDOTTSWSA-N 327.182 1.150 0 40 EDAB CCOC(=O)C1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 22250928 AOBPZMPTRJIBAI-UHFFFAOYSA-N 333.384 1.802 0 40 EDAB CC[C@H](c1nnnn1CCOC)N1CCN(c2ccccc2F)CC1 57669997 SYLFZIAQPQAENN-OAHLLOKOSA-N 348.426 1.732 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccco2)cc1 8375149 GQDOGFRYXIUMPC-UHFFFAOYSA-N 329.356 1.415 0 40 EDAB Cc1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)o1 23625202 OZRHADVEEFFGRA-ZDUSSCGKSA-N 344.371 1.272 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1cccc(F)c1 23779515 OEESQIZDGMKFJG-HNNXBMFYSA-N 341.346 1.172 0 40 EDAB COCCN1CCCC2(CCN(C(=O)c3cscn3)CC2)C1=O 108530724 UXKJIBVMGYMJMN-UHFFFAOYSA-N 337.445 1.634 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCN(CCN(C)C)CC1 55196654 VZBHLKQLMXXRRX-UHFFFAOYSA-N 325.840 1.668 0 40 EDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H]1c3cc(Cl)ccc3OC[C@@H]1CO2 1391785 KVZJLVOIDJMGOM-PELKAZGASA-N 334.759 1.270 0 40 EDAB COc1ccc(CC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 47636006 DFRPSMWGBNYOBJ-WMZOPIPTSA-N 348.443 1.091 0 40 EDAB O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCOCC1 8517747 DCXQGFTZGHTORI-UHFFFAOYSA-N 349.390 1.917 0 40 EDAB CN(C)C(=O)c1cccc(NCCn2nc3ccccn3c2=O)c1 25624731 XSFTWIVQTWCLFV-UHFFFAOYSA-N 325.372 1.310 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CN1CCOC[C@@H]1C)CC2 26451640 CFSWJXKYNDAVCF-ZDUSSCGKSA-N 334.416 1.309 0 40 EDAB C[C@H]1CN(Cc2noc(C3CC3)n2)CCN1c1ccc2nncn2n1 69742764 ANSQYEHWKUYDIZ-NSHDSACASA-N 340.391 1.095 0 40 EDAB COCCN1CCC(NC(=O)CNC(=O)c2ccc(C)s2)CC1 57991493 XCDRCHFSKCAAHS-UHFFFAOYSA-N 339.461 1.013 0 40 EDAB COc1ccc2c(CC(=O)NCCCC(=O)O)cc(=O)oc2c1C 2097882 IPYFNCXXYJKGEC-UHFFFAOYSA-N 333.340 1.634 0 40 EDAB biogenic COc1cc2c(cc1CNC[C@H]1CCS(=O)(=O)C1)O[C@H](C)C2 44862975 DXURMGRQFWYCFZ-VXGBXAGGSA-N 325.430 1.543 0 40 EDAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCSCC1 44955006 OEAMENBVYOQIMF-AWEZNQCLSA-N 335.408 1.480 0 40 EDAB O=C(Cc1cccc(F)c1)NCCNC[C@H]1CNc2ccnn2C1 58300231 MBMVRIPFZXFZRD-AWEZNQCLSA-N 331.395 1.012 0 40 EDAB Cc1nnc(SCc2cccc3c2OCCO3)n1CC(=O)N(C)C 58325631 SXASOLRVTDDBNN-UHFFFAOYSA-N 348.428 1.738 0 40 EDAB COc1ccccc1OC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 45086437 DQGLZADCTKMKHE-GFCCVEGCSA-N 339.351 1.939 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1ccc(S(C)(=O)=O)cc1 58430176 FAFXLURZMJSFJA-UHFFFAOYSA-N 336.461 1.488 0 40 EDAB CCN1CCN(CCNC(=O)Nc2ccn(-c3ccccc3)n2)CC1 48262073 XHYRTEKEXDDEGC-UHFFFAOYSA-N 342.447 1.631 0 40 EDAB CC(C)c1cc(C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cs1 102211520 VCCBENNLQWTAGS-XRRVDJEJSA-N 334.397 1.679 0 40 EDAB CN(CC(=O)N1CCC[C@@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 45569806 WFTVJLJWYSFRRG-HZPDHXFCSA-N 336.457 1.469 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(Cl)c(N)cc1OC 11458005 RYPAOVFCFPHMNJ-ZETCQYMHSA-N 343.767 1.322 0 40 EDAB NC(=O)CN1CCC(NC(=O)NCc2ccc(Cl)s2)CC1 45866546 BJCKXCRNDHKCBK-UHFFFAOYSA-N 330.841 1.150 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cnn(-c2ccccn2)c1C 48302225 PGJFLTULGMXADC-CQSZACIVSA-N 327.388 1.316 0 40 EDAB O=C(C[C@H]1OC(=O)c2ccccc21)NCc1cccnc1-n1cncn1 48313804 GBIOJMKMZUXTGB-OAHLLOKOSA-N 349.350 1.580 0 40 EDAB CCOCC(=O)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 306132047 KWOBCTNNEWEPPF-OAHLLOKOSA-N 334.416 1.642 0 40 EDAB CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 64467633 LBLAAHBQMQADBL-UHFFFAOYSA-N 326.399 1.396 0 40 EDAB CCc1nnc(NC(=O)c2nn(-c3ccccc3)ccc2=O)s1 8738615 UZZXBQBRXIPTSH-UHFFFAOYSA-N 327.369 1.899 0 40 EDAB O=C(NCCNC(=O)c1ccoc1)c1cnc(-c2ccccc2)nc1 65412709 CRZSUEPSUJATPZ-UHFFFAOYSA-N 336.351 1.896 0 40 EDAB Cn1ncc2c(N3CCCN(C(=O)OC(C)(C)C)CC3)ncnc21 65428602 WREAMLUQYQTSDU-UHFFFAOYSA-N 332.408 1.811 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCCN(c2nccs2)CC1 65540370 OJEACRYJYCHMMI-UHFFFAOYSA-N 333.461 1.775 0 40 EDAB COC(=O)CN(Cc1ccccc1C)S(=O)(=O)N1CCCC1 65622302 UTMTYHIXUYMUTP-UHFFFAOYSA-N 326.418 1.311 0 40 EDAB CN1CCN(c2ncc(CN3CCC[C@H](n4cccn4)C3)cn2)CC1 92967907 UAUYDIUIQDDXOX-KRWDZBQOSA-N 341.463 1.262 0 40 EDAB COc1ccc(C(=O)NCCCNC(=O)c2cnccn2)cc1OC 4985372 HXTVOEYGNJXVNF-UHFFFAOYSA-N 344.371 1.044 0 40 EDAB COCCNc1ncc2c(=O)n(-c3cccc(C)c3C)c(O)nc2n1 67263647 SFOLWXJGICWOKA-UHFFFAOYSA-N 341.371 1.556 0 40 EDAB Cc1ccc2c(c1)CCCN2CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 7214230 HIDXGLAFHQJUKN-HNNXBMFYSA-N 336.457 1.393 0 40 EDAB COCCn1cc2c(n1)[C@H](NS(=O)(=O)c1cccnc1)CCC2 96002776 RHPZOFFQDYSRLA-CQSZACIVSA-N 336.417 1.280 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)Cc2c(C)nc(C)[nH]c2=O)c1 70039975 RQPNSSIPXSYYPV-AWEZNQCLSA-N 329.404 1.125 0 40 EDAB Cc1ccoc1-c1nnc(CN2CCO[C@@H](Cn3cccn3)C2)o1 69376635 SBGCSTIXMXPENP-CYBMUJFWSA-N 329.360 1.736 0 40 EDAB CS(=O)(=O)NCCN1CCN(Cc2ccc(F)cc2Cl)CC1 69347550 JXRSJOAVHZNJBQ-UHFFFAOYSA-N 349.859 1.146 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)c2ccccc2S(C)(=O)=O)C1 69417528 JWOCRVCJCJHSSR-NSHDSACASA-N 340.401 1.051 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)c3ccc(OC)nc3)CC2)n1 69518181 ASQXLVJPTDXCBV-UHFFFAOYSA-N 343.387 1.241 0 40 EDAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCCNC(=O)C1CC1 83694785 WPYXZISRKJSQKY-CYBMUJFWSA-N 330.432 1.563 0 40 EDAB O=C(c1cn(Cc2ccccc2)nn1)N1CCN2CCCC[C@@H]2C1 71839874 RJJDMBQXRINKMF-MRXNPFEDSA-N 325.416 1.637 0 40 EDAB NC(=O)[C@@H](CNC(=O)Cc1ccc(F)cc1)Cc1ccc(F)cc1 71826748 GMIUALDURMCMTK-CQSZACIVSA-N 332.350 1.968 0 40 EDAB CCCN(C(=O)CN1CCO[C@@H](Cn2cncn2)C1)C1=CCCCC1 71876529 LDWIBLKKOFXOAT-QGZVFWFLSA-N 347.463 1.675 0 40 EDAB COCCCN(Cc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 71892906 BBTYTHMVAKURHQ-ZDUSSCGKSA-N 333.400 1.990 0 40 EDAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H]1Cn1cccn1 71866438 IBOATHZTHUBEKW-HZPDHXFCSA-N 340.431 1.581 0 40 EDAB COc1ccc(-c2noc(CCN3CCCN(C)CC3)n2)cc1OC 72406118 NBOUDLCAIYIXDN-UHFFFAOYSA-N 346.431 1.934 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)c3nc(C)ncc3Cl)CCO2)n1 83829953 BIIJAZPDCDYOIW-SNVBAGLBSA-N 336.783 1.333 0 40 EDAB CCn1c(=O)n(CC(=O)NCCCCCCC(=O)O)c2ccccc21 95389875 URJFQEKWZXTPCK-UHFFFAOYSA-N 347.415 1.974 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]3C[C@@H]3C(=O)O)cc2)n1 97017631 MLVQUPVYSSLAON-CVEARBPZSA-N 327.384 1.869 0 40 EDAB Nc1nccnc1C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 97046141 JUKKPHBFWDENBZ-CYBMUJFWSA-N 349.398 1.864 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(N3CCCC3)nc2)C1 97051821 QZKRPIVROISKMJ-OAHLLOKOSA-N 338.477 1.195 0 40 EDAB CC(C)c1nc([C@H]2CCCN(C(=O)CN3CCN(C)CC3)C2)no1 72277936 BAGXATWOVUDYHI-AWEZNQCLSA-N 335.452 1.146 0 40 EDAB C[C@]1(n2cc(CN3CCOc4ccccc43)cn2)CCS(=O)(=O)C1 97143294 OGIWYTBKNIPOTM-KRWDZBQOSA-N 347.440 1.816 0 40 EDAB CCc1nc(CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)no1 67490551 UTVCVZSKMZMCBM-LLVKDONJSA-N 344.371 1.349 0 40 EDAB Cc1nc(CCNC(=O)NCC(=O)NCC(F)(F)F)sc1C 95418652 WFXPZASTVFQQFC-UHFFFAOYSA-N 338.355 1.280 0 40 EDAB COC(=O)[C@@H](O)C1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 95432434 SCOOWMUSRHJMNH-HNNXBMFYSA-N 337.807 1.734 0 40 EDAB CC(C)CO[C@H](C)c1noc(Cn2ncc3cccnc3c2=O)n1 95405181 SLWOYLPOVJSIFL-LLVKDONJSA-N 329.360 1.956 0 40 EDAB Cc1noc(C)c1CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 95955148 HYBMYMVYZRPQSM-OAHLLOKOSA-N 327.384 1.956 0 40 EDAB O=C(CO)N1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)CC1 95979690 NVFCWAPSDNRHJT-UHFFFAOYSA-N 344.333 1.458 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 75025383 IMXNJTIRGWYLQM-QGZVFWFLSA-N 346.427 1.396 0 40 EDAB Cc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c(=O)[nH]1 75118591 JFTVHBDGLAUYEV-HNNXBMFYSA-N 345.399 1.388 0 40 EDAB COC(=O)Nc1cccc(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)c1 75140660 YYJDYHKPIVDOBB-HNNXBMFYSA-N 345.403 1.631 0 40 EDAB CCOCCO[C@H](C)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 75148236 STRWTRKEQMZGMO-CYBMUJFWSA-N 347.415 1.767 0 40 EDAB O=C(c1c(F)cccc1I)N1CC[C@H](O)C1 89768204 WREOMIHDAOFOLD-ZETCQYMHSA-N 335.116 1.637 0 40 EDAB C[C@H](CCO)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 89895579 WGONKJLZUHDREF-GFCCVEGCSA-N 326.418 1.110 0 40 EDAB CC(C)n1cc2c(n1)C1(CCN(C(=O)C3CC3)CC1)CN(C)C2=O 306142004 WMLQUMUAXWWBTN-UHFFFAOYSA-N 330.432 1.820 0 40 EDAB COc1cc(C)cc(C)c1S(=O)(=O)N1CCO[C@@H](CC(=O)O)C1 514789571 LAJAAOCCQQFCMF-LBPRGKRZSA-N 343.401 1.176 0 40 EDAB O=C(NCCc1ccsc1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 189003410 QCIGUWDYCIPQFE-HOTGVXAUSA-N 348.468 1.848 0 40 EDAB COCCN1C[C@@H](C(=O)O[C@@H](C)c2ccc3c(c2)OCCO3)CC1=O 78442485 FZAKHNIQADZHRL-JSGCOSHPSA-N 349.383 1.557 0 40 EDAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)OC 32773681 NVLOCUYNJJGPST-ZDUSSCGKSA-N 337.372 1.339 0 40 EDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CO)CO)cc1 218098170 FHDBXSZFCREJTA-DLBZAZTESA-N 348.420 1.606 0 40 EDAB Cc1cccc(C(=O)N[C@H](C)C(=O)NCc2nncn2C2CC2)c1 79306111 VBDWPFDCYSIEQK-GFCCVEGCSA-N 327.388 1.356 0 40 EDAB C[C@]1(C(=O)NCCCn2cccn2)Sc2ccccc2NC1=O 40774316 QWPDFFDRPZWHKA-MRXNPFEDSA-N 330.413 1.893 0 40 EDAB Cc1ccc(CN(CC(=O)Nc2cccnc2)S(C)(=O)=O)cc1 223717152 MBBQCORGTCXZJB-UHFFFAOYSA-N 333.413 1.790 0 40 EDAB O=C(Cc1csc(Nc2ncccn2)n1)NCc1cccnc1 49029385 GEFCOBVHJLMJHY-UHFFFAOYSA-N 326.385 1.931 0 40 EDAB COc1cccc(CC(=O)Nc2ccc(-n3nnn(C)c3=O)cc2)c1 75163141 VRXSTKLORYJHKY-UHFFFAOYSA-N 339.355 1.156 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)c2ccc(F)c(F)c2)CC1 43979666 ZHHAINUZSIBTRB-UHFFFAOYSA-N 332.372 1.366 0 40 EDAB Cc1cc(C)n(CCC(=O)NCCn2cnc3ccsc3c2=O)n1 225776049 CHXDEVFNDILXOH-UHFFFAOYSA-N 345.428 1.478 0 40 EDAB COc1cccc(-c2nnsc2C(=O)NCCN2CCOCC2)c1 225768272 CRUVPAPRBSLFPY-UHFFFAOYSA-N 348.428 1.276 0 40 EDAB CCOC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccnc(C)c2)c1 225471008 QADVECANLBLXCK-UHFFFAOYSA-N 348.380 1.685 0 40 EDAB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cn[nH]n1 47833204 ZQDVEABQLCYMCQ-UHFFFAOYSA-N 340.309 1.617 0 40 EDAB COc1cc(OC)cc(C(=O)Nc2cnc(-n3cccn3)nc2)c1 224242663 MKZYOBPLPOPWKD-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB CN(C)CC(C)(C)CNC(=O)C(=O)Nc1ccc2ncccc2c1 96418146 YDAJJJBNSGNUQT-UHFFFAOYSA-N 328.416 1.877 0 40 EDAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(c4ncc(F)cn4)C[C@@H]32)N=C1C 96261503 MHPNNURFQBEQQC-HACGYAERSA-N 347.394 1.108 0 40 EDAB O=C(CCc1cc(F)ccc1F)N1CCC[C@](O)(c2cnn[nH]2)C1 583617701 GQAJCKWEBTWMTB-MRXNPFEDSA-N 336.342 1.526 0 40 EDAB O=C(CN1CCC[C@@](O)(c2cnn[nH]2)C1)NCc1ccc(Cl)cc1 583617973 PLEBCAGKTIVLPN-INIZCTEOSA-N 349.822 1.058 0 40 EDAB Cc1nc(S(=O)(=O)N2CCNC(=O)C2)c(-c2ccccc2)s1 583651278 KBTXGDAQLDNQIF-UHFFFAOYSA-N 337.426 1.239 0 40 EDAB O=C(O)c1cc2c(c(S(=O)(=O)NCCc3ccccn3)c1)CCC2 238205979 BHORZBNFCHWGIN-UHFFFAOYSA-N 346.408 1.790 0 40 EDAB O=S1(=O)CC[C@@H](N2CCN(c3cccc(C(F)(F)F)n3)CC2)C1 96482681 GMLVYENFDBKEJN-LLVKDONJSA-N 349.378 1.410 0 40 EDAB CC(C)(C)N1C[C@@H](NC(=O)N2CCC(n3ccnc3)CC2)CC1=O 96456356 OAEJEHSJYWTFEV-ZDUSSCGKSA-N 333.436 1.629 0 40 EDAB Cn1cc(Br)cc1C(=O)NCCCNc1ncccn1 96430771 HLJCJHFIJVACLN-UHFFFAOYSA-N 338.209 1.810 0 40 EDAB COc1ccc(CN2C[C@@H]3CN(C(=O)[C@H]4CCCO4)C[C@@H]3C2=O)cc1 96245360 AXYLEVUFZNNXED-HYVNUMGLSA-N 344.411 1.291 0 40 EDAB CN(C)S(=O)(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 96461803 VQVMGODBOVGGCZ-UHFFFAOYSA-N 325.365 1.254 0 40 EDAB COc1ccc(-n2cc(C(=O)NC[C@H]3CCCO3)ccc2=O)cc1 96192106 ZWVYXQLXPAGWNH-MRXNPFEDSA-N 328.368 1.755 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(OCC(F)F)c1 96403149 MBWCBXXJYCQYTM-CQSZACIVSA-N 326.343 1.958 0 40 EDAB COC(=O)[C@H](C)CNc1nn2c(C(F)(F)F)nnc2c(C)c1C 92641429 VJMLSMGIPYQAOV-ZCFIWIBFSA-N 331.298 1.981 0 40 EDAB CCn1nnc2c1[C@H](COCC1CC1)CN(C(=O)c1ccnnc1)C2 96045559 AQQJRMDWFLEZNR-AWEZNQCLSA-N 342.403 1.254 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96110820 XEWKVNYKVQPFPQ-CQSZACIVSA-N 326.418 1.181 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1csnn1 96423779 PALIAJQYZTXMEO-ZDUSSCGKSA-N 331.445 1.479 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@]2(CCN(C(=O)N3CCOCC3)C2)C1=O 96063637 NABKHRMWGINYSO-QFBILLFUSA-N 343.427 1.387 0 40 EDAB Cc1cc(-n2c(C)cc(C(=O)NC[C@]3(O)CCSC3)c2C)no1 96446901 LLFOPPXGZAPVFX-MRXNPFEDSA-N 335.429 1.988 0 40 EDAB NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccccc1Cl 96462469 APKCVEFBOFZGOY-DGCLKSJQSA-N 330.837 1.804 0 40 EDAB CN(C)Cc1cccc(NC(=O)NC[C@H]2CN(C3CC3)CCO2)c1 91623225 YZCWMPUJIMNNLY-KRWDZBQOSA-N 332.448 1.733 0 40 EDAB Cn1nccc1C(=O)NCCC(=O)Nc1ccc(-n2cccn2)cc1 96192360 MQIHZEVAVPIJLO-UHFFFAOYSA-N 338.371 1.364 0 40 EDAB CNS(=O)(=O)CC(=O)NC(C)(C)c1c(Cl)cccc1Cl 97227460 DPEZOHRBRUYZHV-UHFFFAOYSA-N 339.244 1.894 0 40 EDAB Cc1cccc(Cn2c3c(ccc2=O)C[C@@H](NC(=O)N(C)C)CC3)n1 96196626 JJEJXBIXGKTDDP-HNNXBMFYSA-N 340.427 1.729 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@]1(COC)C(N)=S 242688286 VMVORXNUJKQNGT-BZPMIXESSA-N 331.434 1.645 0 40 EDAB COCCN(C)C[C@H]1CO[C@@]2(CCCN(C(=O)c3ccccn3)C2)C1 248045191 MERZQYLIHYHXRG-LPHOPBHVSA-N 347.459 1.671 0 40 EDAB Cc1ccc(CN2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)cc1 248094325 MCUPSGYIASWIAM-YESZJQIVSA-N 338.473 1.381 0 40 EDAB CCc1noc(C)c1C(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257310020 UDJXMAJHWXZWJT-AWEZNQCLSA-N 344.415 1.996 0 40 EDAB COc1ccc(CC(=O)N2CCO[C@H](c3nc(C)cc(O)n3)C2)cc1 257317853 VLMDKGDBRYUTPQ-HNNXBMFYSA-N 343.383 1.642 0 40 EDAB Cn1nccc1CCC(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257205310 AYLRPMPZYRMLDT-JFIYKMOQSA-N 329.400 1.440 0 40 EDAB Cc1cc(C)nc(N2CCC[C@@H](Cc3[nH]ncc3S(C)(=O)=O)C2)n1 257286529 PLXSMQKRUGHAQV-ZDUSSCGKSA-N 349.460 1.679 0 40 EDAB Cc1nc(OCC(=O)NCc2ccc(F)cc2)cc(-n2cccn2)n1 85471913 HKMFBOHMQGWENU-UHFFFAOYSA-N 341.346 1.805 0 40 EDAB COc1ncccc1C(=O)NC1CCN(c2nc(C)cc(O)n2)CC1 253537736 XGDHZBZVUREKEC-UHFFFAOYSA-N 343.387 1.293 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)c1cscn1 257219996 DJDNEBIZQOUFKG-HNNXBMFYSA-N 333.417 1.037 0 40 EDAB Cc1c(C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)oc2ccc(F)cc12 257290821 QELRRQHUSZZNAB-JSGCOSHPSA-N 332.331 1.610 0 40 EDAB c1ccc(COC[C@H]2CN([C@H]3CCOC3)Cc3nccn3C2)nc1 253588670 NNPROJCPTNVQQQ-WBVHZDCISA-N 328.416 1.716 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(C(=O)CCc2ccc(Cl)cc2)C1 257280901 OMWAKZLMTJVHIH-AWEZNQCLSA-N 337.851 1.409 0 40 EDAB CNc1cnc(C[C@H]2CCCN(C(=O)c3ccncn3)CC2)cn1 257253462 JZAVIKPFUGSNRK-ZDUSSCGKSA-N 326.404 1.793 0 40 EDAB COc1nc(OC)nc(N2CCN(C)[C@H](c3ccccc3OC)C2)n1 257262938 LNSBHPPFCVIZJM-ZDUSSCGKSA-N 345.403 1.391 0 40 EDAB COCCCN(C)c1ccc(F)cc1S(=O)(=O)N(C)CCOC 1615046530 GQCZKTGACAPBMP-UHFFFAOYSA-N 348.440 1.565 0 40 EDAB CN(C)c1ncc(CN2CCCN(C(=O)c3cccs3)CC2)n1C 1615045410 WZZWVGUNTOBNOG-UHFFFAOYSA-N 347.488 1.896 0 40 EDAB Cc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2nccn2C)s1 1615588056 BNSCGXSLPWHYJS-ZFWWWQNUSA-N 346.456 1.968 0 40 EDAB CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H]1NCc2ncncc21 1615615204 MVUUWVAZCBZDMR-OAHLLOKOSA-N 332.791 1.812 0 40 EDAB Cc1cc(NC(=O)[C@H]2CCCCO2)ccc1S(=O)(=O)N(C)C 1616033057 ZRDYYNMDTNURMK-CYBMUJFWSA-N 326.418 1.753 0 40 EDAB COc1cccc(C(=O)N2CC3(C[C@@H](CO)CN3CC3CC3)C2)c1 585093789 GCKVJBLUYCRGAA-OAHLLOKOSA-N 330.428 1.614 0 40 EDAB COc1ncc(CN2CC[C@@](O)(COc3ccc(F)cc3)C2)cn1 585268837 AQACUJAJYQSOPB-KRWDZBQOSA-N 333.363 1.640 0 40 EDAB O=C(C1CC(F)C1)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 585100925 GLFBMMNEXQLNTN-QWQCLYJRSA-N 332.379 1.570 0 40 EDAB CNC(=O)c1cnn2c(C3CCN(C(=O)C(C)C)CC3)ccnc12 585182435 UKNNAKFEQHRNFY-UHFFFAOYSA-N 329.404 1.451 0 40 EDAB O=C(c1csnn1)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 585108519 ABPGHIBJALVFMJ-ILXRZTDVSA-N 346.412 1.522 0 40 EDAB CCNC(=O)CNC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 69440789 KOMCSVAQFKKPGD-UHFFFAOYSA-N 327.388 1.619 0 40 EDAB COCCCCCNC(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 58584545 HXVNTJJQOPNGLH-GFCCVEGCSA-N 343.449 1.511 0 40 EDAB NC(=O)c1cc(NC(=O)[C@H]2CCCN2c2nccs2)ccc1F 75573895 HVWBWFJVUUNZCN-GFCCVEGCSA-N 334.376 1.989 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)c2cc(N(C)C)ccn2)ccc1F 97166099 RRFKKFBYXIOVGU-UHFFFAOYSA-N 341.350 1.823 0 40 EDAB Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc(=O)n(C)n2)cc1 98014145 LKXLZJVBYZLRQQ-MAUKXSAKSA-N 341.411 1.986 0 40 EDAB Nc1ccn2ncc(C(=O)N3CCO[C@H](C(F)(F)F)CC3)c2c1 1615545741 IAEKRQKDNFHQBL-LBPRGKRZSA-N 328.294 1.710 0 40 EDAB COc1cc(C(=O)SC2=NC(=O)C[C@H](C)N2)cc(OC)c1OC 5677292 BRJHFXBEGOGGPE-QMMMGPOBSA-N 338.385 1.850 0 40 EDAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C)C(=O)O)ccc12 5908498 MJYPAMOKFYGEPF-NXEZZACHSA-N 333.340 1.712 0 40 EDAB biogenic Cc1nn(C)c(C)c1-c1ccc(=O)n([C@@H](C)C(=O)N2CCCCC2)n1 12186048 LRFXRBWCMDXKSI-AWEZNQCLSA-N 343.431 1.834 0 40 EDAB COc1ccccc1CCCNC(=O)[C@@H](C)N1C(=O)NC(C)(C)C1=O 12191969 QRQMOMWCFOERDO-GFCCVEGCSA-N 347.415 1.463 0 40 EDAB C[C@H]1CN(C(C)(C)CNc2nnnn2-c2ccccc2)C[C@H](C)O1 15496990 QOOLCVZSDOAVDE-KBPBESRZSA-N 330.436 1.962 0 40 EDAB Nc1cc(-c2ccco2)nn(CC(=O)N2CCc3ccccc32)c1=O 19375412 VQFGQEHVYXUFEQ-UHFFFAOYSA-N 336.351 1.675 0 40 EDAB CCCC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)CC)[nH]c(=O)c2C1 19501604 FXKDIUDIXJZKBZ-AWEZNQCLSA-N 346.431 1.528 0 40 EDAB CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)c1ccccn1)C2 19707347 BBEIOBODNJHHEF-CYBMUJFWSA-N 338.415 1.536 0 40 EDAB O=c1[nH]c(=O)n(CCc2ccccc2)c2c1CN(C1CCCC1)CN2 19939421 BTMMNZKZPSFIQA-UHFFFAOYSA-N 340.427 1.907 0 40 EDAB COC1CCN(C2CN(S(=O)(=O)c3cccc(Cl)c3)C2)CC1 575605373 KHRZOUVKOUTHFJ-UHFFFAOYSA-N 344.864 1.824 0 40 EDAB COc1nc(CNC(=O)c2cc(C)cs2)nc(N2CCOCC2)n1 575604248 VOEDEVHNIYOIKB-UHFFFAOYSA-N 349.416 1.017 0 40 EDAB O=C([C@H]1CCOC1)N1CCC(n2nnc3ccsc3c2=O)CC1 390830134 IZGAXNIGLXLGEA-JTQLQIEISA-N 334.401 1.053 0 40 EDAB CCn1c(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)nc2ccccc21 10652416 HYHKAOHOFZYHKE-UHFFFAOYSA-N 341.371 1.313 0 40 EDAB Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1C 3451022 NZSRIUURHJAYCJ-UHFFFAOYSA-N 335.429 1.514 0 40 EDAB O=C(NC1CN(c2cc(C(F)(F)F)ccn2)C1)N1CCOCC1 1888844263 MVHWRCMHVAMPSV-UHFFFAOYSA-N 330.310 1.331 0 40 EDAB CSc1nccc(N2CCN(c3ncnc4ncn(C)c34)CC2)n1 1888888193 RFQDXTGBRDBXPF-UHFFFAOYSA-N 342.432 1.202 0 40 EDAB O=C1[C@H]2CN(c3ncnc4ncccc34)C[C@@H]2C(=O)N1c1ccccc1 1888891014 WHQLUCLSUNEYPE-GJZGRUSLSA-N 345.362 1.651 0 40 EDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2cc(=O)n3ccccc3n2)C1 1888897363 MRVZHULSHXYELD-KBPBESRZSA-N 334.379 1.480 0 40 EDAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2[nH]nnc2c1 22411100 UJYDRIUWTHEAQT-UHFFFAOYSA-N 343.431 1.723 0 40 EDAB CO[C@H](CNC(=O)C(=O)Nc1ccon1)c1cc2ccccc2o1 244975035 HZCNMGGDGKARFG-CYBMUJFWSA-N 329.312 1.863 0 40 EDAB O=C(CN1CCCCC1)N1CCC(O)(COc2ccccc2)CC1 2037909024 NCQRJGBRLFBSKT-UHFFFAOYSA-N 332.444 1.905 0 40 EDAB Cn1ccc(CN2CC[C@H](COc3ccc4nccn4n3)C2)cc1=O 2087018067 JFATYQHVAKMKOM-HNNXBMFYSA-N 339.399 1.329 0 40 EDAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(CC(=O)NC[C@@H]2CCCO2)C1 2087064951 YLUNIPVLMRFGRJ-CABCVRRESA-N 339.480 1.251 0 40 EDAB CC(C)N(C)CC(=O)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 1565545217 XGSAUMBWGGQJSS-JENIJYKNSA-N 347.459 1.697 0 40 EDAB CCCS(=O)(=O)c1cn2cccc(N)c2c1S(=O)(=O)CCC 93129 CNQUKOJNLRDQBY-UHFFFAOYSA-N 344.458 1.889 0 40 EDAB C[C@@H](C(=O)Nc1cccc(F)c1)N1C(=O)c2ccccc2S1(=O)=O 4940708 XRMHQGMHFCWCIP-JTQLQIEISA-N 348.355 1.997 0 40 EDAB COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)NCCO3)cc1 9171495 CHADTBBXTQYRGM-UHFFFAOYSA-N 326.352 1.999 0 40 EDAB Cc1cccc(CN2CCC[C@](C(=O)N(C)C)(n3cccn3)C2)n1 2055772565 WEJIVNLQBXTUGK-SFHVURJKSA-N 327.432 1.666 0 40 EDAB O=c1c2ccc(Cl)cc2nc(S)n1CCN1CCOCC1 20645216 WUJPBDWUVIQZNU-UHFFFAOYSA-N 325.821 1.671 0 40 EDAB Cc1nc(-n2ncc(C(=O)NCc3ccco3)c2C)nc(O)c1C 38670882 LWJYASDEWDFBRN-UHFFFAOYSA-N 327.344 1.816 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@@H](c2ccsc2)n2cccn2)c1 618256307 QSMAWTKCIMJXHR-LBPRGKRZSA-N 337.430 1.246 0 40 EDAB CN(C)CCN[C@@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O 22593054 ITEPFKRQJGADJK-INIZCTEOSA-N 329.400 1.773 0 40 EDAB CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4OC)C(=O)[C@H]13)O2 488652 RLIPVWRVUCZGPJ-ZXFNITATSA-N 329.352 1.545 0 40 EDAB biogenic CC1CCN(S(=O)(=O)NCc2ccc(Cn3cncn3)cc2)CC1 40058648 MVHKBTGJRFGGNG-UHFFFAOYSA-N 349.460 1.393 0 40 EDAB COc1ccccc1N1CCN(S(=O)(=O)CCCC(=O)O)CC1 20184826 JCYDWKMIRXDFAN-UHFFFAOYSA-N 342.417 1.012 0 40 EDAB Cc1cc(NC(=O)Cc2noc(C(=O)NCc3ccccc3)n2)no1 40267659 RULROXALMHTTLS-UHFFFAOYSA-N 341.327 1.477 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)[C@H]2COc3ccccc3O2)C1 40522950 BLZDZHUCUROTFA-SWLSCSKDSA-N 328.372 1.361 0 40 EDAB Cc1cc(=O)oc2c3c(ccc12)OCN(CCN1CCOCC1)C3 20567529 QKIRRWWISHRLTH-UHFFFAOYSA-N 330.384 1.586 0 40 EDAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1cccc(F)c1 20797940 LOXUVANIBVNFKK-UHFFFAOYSA-N 348.422 1.004 0 40 EDAB Cc1cnc(C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cn1 32754279 JLOUDPLXJUXJLZ-UHFFFAOYSA-N 339.399 1.453 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(NC(=O)CCc2ccccc2)C1=O 21553690 XILJJSRGVKMJLH-KRWDZBQOSA-N 327.340 1.711 0 40 EDAB Cc1ccc(CNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 102432295 MLJDZFRDNNMIQI-HZPDHXFCSA-N 326.396 1.953 0 40 EDAB O=C(O)CCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)CC(=O)N2 95711 RMODALJYNPJOEK-SNVBAGLBSA-N 329.316 1.013 0 40 EDAB Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 2624627 XAOCYRIMUVYAPM-UHFFFAOYSA-N 338.385 1.899 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CCO2)n1 76046073 INPNLONIDBSUTI-MCIONIFRSA-N 344.419 1.194 0 40 EDAB Cn1cnnc1CCNC(=O)CN1CCOc2ccc(Cl)cc21 78966091 NZHSWWFFRDWPTL-UHFFFAOYSA-N 335.795 1.026 0 40 EDAB O=C1[C@@H](N2CCN(C[C@@H]3CCCCO3)CC2)CCN1c1ccccc1 79035303 WFTWTVYJHKPOTQ-OALUTQOASA-N 343.471 1.979 0 40 EDAB COCCNC(=O)c1cn(Cc2ccccn2)c(=O)c2ccccc12 79194012 XCQGIJNROZBAEB-UHFFFAOYSA-N 337.379 1.821 0 40 EDAB biogenic Cc1cc(N2CCOCC2)ccc1N[C@H](C)C(=O)N1CCOCC1 46835091 ZCFATRUJSKKEHM-OAHLLOKOSA-N 333.432 1.491 0 40 EDAB O=c1[nH]n(-c2ccc3nnc(C(F)(F)F)n3n2)c(=O)c2ccccc12 3671184 HIXABMBWERUHEZ-UHFFFAOYSA-N 348.244 1.136 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 4101302 IQDQYAZDRCWSTK-INIZCTEOSA-N 336.457 1.633 0 40 EDAB CC1(C)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 4516681 ZGFQVICAVQXXLH-UHFFFAOYSA-N 333.344 1.117 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)cc12 22472954 UWTHFMMKGXLHOB-OAHLLOKOSA-N 336.351 1.997 0 40 EDAB C[C@@]1([C@@H]2CCCN(Cc3nc4ccccc4o3)C2)NC(=O)NC1=O 72300786 ZSVQBOCYTMNGDY-DIFFPNOSSA-N 328.372 1.638 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccn2)n2nc(C)nc2N1 10157080 MVWSZOXMVQDGMZ-OAHLLOKOSA-N 340.387 1.129 0 40 EDAB COc1cc(I)c(CNC(C)=O)cc1OC 977117 PSZXZOFHSTWQCO-UHFFFAOYSA-N 335.141 1.945 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)C(=O)O 54333939 GVPPFFKHYWYXNE-MRVPVSSYSA-N 336.207 1.757 0 40 EDAB O=C(Cc1ccccc1Cl)NC1CCN(CC(=O)NC2CC2)CC1 47341880 LJEFCQKWLHXHLU-UHFFFAOYSA-N 349.862 1.742 0 40 EDAB COc1ccccc1OCCC(=O)N[C@@H](C(N)=O)c1ccccc1 54703879 MOOBOBIFNTVDFO-QGZVFWFLSA-N 328.368 1.807 0 40 EDAB COC(=O)[C@H](C)Sc1ccccc1C(=O)NCC(=O)NC1CC1 55045285 HZHALFHBCJPWGX-JTQLQIEISA-N 336.413 1.349 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)Cn1nc(-c2ccco2)ccc1=O)C(=O)O 61721012 BBBVXZXLSIMQOB-BMIGLBTASA-N 333.344 1.119 0 40 EDAB COC(=O)c1ccc(F)cc1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C 106583856 MAGFWRXEKJNKKI-UWVGGRQHSA-N 331.365 1.410 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@H]1C1CCCCC1 55600128 XVNVSWLEPDBVEN-HNNXBMFYSA-N 333.432 1.876 0 40 EDAB O=C(CNC(=O)c1ccc(Br)cc1)NCc1ccncc1 12553977 XXTPHJCQDZEPNF-UHFFFAOYSA-N 348.200 1.890 0 40 EDAB CC(=O)Cc1nsc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)n1 1431312 XBACPTJGMHABPV-LLVKDONJSA-N 331.353 1.390 0 40 EDAB O=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1cccc(F)c1 62026723 MDWHUBLDTKTGOC-UHFFFAOYSA-N 327.315 1.259 0 40 EDAB Cc1cc(C(=O)COC(=O)[C@@H](C)NC(N)=O)c(C)n1Cc1ccco1 3290790 MCZDSOVRUYUSMW-LLVKDONJSA-N 347.371 1.529 0 40 EDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(C)C)C2=O)cc1 12687626 ZLMYNFIDHMSHFX-KRWDZBQOSA-N 333.388 1.234 0 40 EDAB CCOc1ncccc1NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 48200533 FHXSMESPSOLCMR-LLVKDONJSA-N 342.421 1.026 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)c1cnc2n(c1=O)CCS2 48231284 MVLUBJISXPYGPN-UHFFFAOYSA-N 345.380 1.050 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCc1ccccc1 48210101 JEDHZJIXNOQJAP-UHFFFAOYSA-N 334.379 1.999 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1COc2ccc(Cl)cc2C1 44721050 UPCCLLWCNUQBDP-JQWIXIFHSA-N 343.832 1.442 0 40 EDAB COc1ccc(NC(=O)CCc2nc3ccccc3n(C)c2=O)cn1 72403053 LMRRMBCNTDDPAG-UHFFFAOYSA-N 338.367 1.908 0 40 EDAB CN(CCO)C[C@H](CC(=O)Nc1ccc(C(F)(F)F)nc1)C(=O)O 72404933 VHKREXATDICAFC-VIFPVBQESA-N 349.309 1.054 0 40 EDAB CCS(=O)(=O)NCc1ccc(C(=O)/N=c2/sccn2C)cc1 102731176 JUPYSSFLMJWRHX-JQIJEIRASA-N 339.442 1.267 0 40 EDAB CCOc1ccc(-n2ncc(C(=O)NCC(F)(F)F)c2C)nn1 44895956 NBSBGGRZUBVQGK-UHFFFAOYSA-N 329.282 1.662 0 40 EDAB O=C(c1ccoc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 27348847 ABIUSJUWAYKUEI-UHFFFAOYSA-N 345.380 1.187 0 40 EDAB CCOC(=O)N[C@H](C(=O)Nc1cnc2c(c1)c(C)nn2C)C(C)C 58225022 XYZWMHXQTYPKEK-ZDUSSCGKSA-N 333.392 1.986 0 40 EDAB Cc1nnc(NC(=O)NC[C@@H](O)COc2cccc(F)c2)s1 44969964 LBGAASAGPNPDBE-SNVBAGLBSA-N 326.353 1.547 0 40 EDAB O=C(N[C@H]1CCN2CCCC[C@H]12)N1CCN(c2nccs2)CC1 44971880 OOHHGQAVYLRMOV-UONOGXRCSA-N 335.477 1.602 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1ccccc1Cn1cncn1 58394276 FQOXNHRXWMOYMU-UHFFFAOYSA-N 339.447 1.724 0 40 EDAB Cn1cc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cn1 108525882 NDIOSXSUMRLJBH-WMZOPIPTSA-N 332.448 1.271 0 40 EDAB CC(C)(C)OC(=O)CN(CCC(=O)NC(N)=O)CCc1ccccc1 58429947 IGNAOCVTHYSXES-UHFFFAOYSA-N 349.431 1.458 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ncc(C)s1 177869987 RVWULWPWZJNSOC-NWDGAFQWSA-N 345.490 1.833 0 40 EDAB CSCC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1nc2ccccc2[nH]1 48302382 IEMZZONZLWFLCT-OLZOCXBDSA-N 332.429 1.752 0 40 EDAB Cc1nnc(NC(=O)c2cn(-c3ccc4c(c3)OCCO4)nn2)s1 28965248 ILVIPKMMQCQGPA-UHFFFAOYSA-N 344.356 1.451 0 40 EDAB O=C1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c2ccccc2N1 48364102 PGUUENBJUXQSFP-GFCCVEGCSA-N 327.384 1.763 0 40 EDAB C[C@H]1CN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@H](C)O1 29693827 SVMJGWAAHXKZJI-KBPBESRZSA-N 331.416 1.861 0 40 EDAB COC(=O)c1ccc2c(=O)n(CCNC(=O)OC(C)(C)C)cnc2c1 11866585 CPFDLIVTGFPVLJ-UHFFFAOYSA-N 347.371 1.708 0 40 EDAB C[C@@H](C(=O)NCCc1ccccc1)N1CCN(C(=O)C2CC2)CC1 12913629 SJRNASJZQIROJL-HNNXBMFYSA-N 329.444 1.288 0 40 EDAB C[C@]1(NC(=O)C2=Cc3cc(Cl)ccc3OC2)CCS(=O)(=O)C1 13003469 UQASZSIIYYTYPB-HNNXBMFYSA-N 341.816 1.809 0 40 EDAB CCc1nc(CN(C(C)=O)[C@H]2CCN(CCc3ccccn3)C2)no1 83830425 QKRAZYHHGRPSKQ-INIZCTEOSA-N 343.431 1.693 0 40 EDAB CCOC(=O)c1[nH]c(=O)[nH]c1CN(Cc1ccccn1)CC(C)C 63870536 IWAQARKDOZGZAY-UHFFFAOYSA-N 332.404 1.933 0 40 EDAB CN1CCC[C@@H](N2CCN(CC(=O)N(C3CCCC3)C3CC3)CC2)C1 71909027 NDNUCVWCSGEEOI-LJQANCHMSA-N 348.535 1.632 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)CCc3ccccc3Cl)C2=O)cn1 71910415 QIFCSWDJEZFDQG-OAHLLOKOSA-N 346.818 1.928 0 40 EDAB CC(C)(C)OC(=O)CNC(=O)C1=NN(c2ccccc2)C(=O)CC1 71908905 NPZWOPSYPNHFJM-UHFFFAOYSA-N 331.372 1.627 0 40 EDAB Cc1c(C(=O)N2CCC(CC(N)=O)CC2)cnn1Cc1ccccc1 65487933 GRKWILNCNPCCHE-UHFFFAOYSA-N 340.427 1.967 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H](C2CC2)N(C)C)[nH]n1 65499328 JOWDXADLGRAWHQ-OAHLLOKOSA-N 330.436 1.497 0 40 EDAB CC(C)C(=O)N1CCC(NCc2cnc(N3CCOCC3)nc2)CC1 65522076 ROXCGRVONGUHMM-UHFFFAOYSA-N 347.463 1.050 0 40 EDAB O=c1c2ccccc2cnn1CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 14266397 NDHLKXZVFRQMEM-CQSZACIVSA-N 333.413 1.006 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1S(C)(=O)=O 96000372 AFCNEFMGZGYUSB-MRXNPFEDSA-N 349.456 1.881 0 40 EDAB O=C(CN1CCCC[C@H]1C(=O)N1CCOCC1)Nc1ccccc1 66893410 JEODEQIAICLHBD-INIZCTEOSA-N 331.416 1.338 0 40 EDAB O=C(CCC(=O)NC1CCCCCC1)Nc1ccc2[nH]c(=O)[nH]c2n1 5818852 CMPYYPUJHRIDPX-UHFFFAOYSA-N 345.403 1.809 0 40 EDAB C[C@@H](Cc1ccccc1Br)NC(=O)[C@@H]1CC(=O)N(C)C1 84640757 DVRVOUGCCQVSHD-CMPLNLGQSA-N 339.233 1.975 0 40 EDAB O=C1CN(C(=O)NCCCCCC(=O)NC2CC2)c2ccccc2N1 9303134 VPCWLLWXXVMBIZ-UHFFFAOYSA-N 344.415 1.994 0 40 EDAB Cc1cc(-n2cc(C(=O)N3CCC(C(N)=O)CC3)nn2)ccc1F 67263111 MYFZNUCULFKZEV-UHFFFAOYSA-N 331.351 1.052 0 40 EDAB Cn1cc(C(=O)C[C@@H]2CCCN2S(=O)(=O)c2cccs2)cn1 90446869 PBMKDVWTHVOXJC-LBPRGKRZSA-N 339.442 1.908 0 40 EDAB CCn1c([C@@H]2CCCN(C(=O)c3ccc(CN)cc3)C2)nn(C)c1=O 67973851 JWSWOZKVMAUNOM-OAHLLOKOSA-N 343.431 1.080 0 40 EDAB COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)NC(N)=O 7696665 RTPJNVBFNPYFDO-QMMMGPOBSA-N 344.209 1.473 0 40 EDAB O=C(OCC(=O)N1CCCC1=O)c1cc(=O)c2cc(Cl)ccc2o1 7761752 MWHTTXFILDTCLR-UHFFFAOYSA-N 349.726 1.752 0 40 EDAB CC1CCN(C(=O)CN(C)C[C@H](O)COCc2ccccc2)CC1 70007902 VCVVSUHCWUKAPJ-SFHVURJKSA-N 334.460 1.754 0 40 EDAB CC(C)n1nccc1NC(=O)CN1CCO[C@H](Cn2cccn2)C1 69393640 AYWFZMJJGNILFC-AWEZNQCLSA-N 332.408 1.000 0 40 EDAB O=C1COc2ccc(C(=O)N3CCC[C@H](n4cccn4)C3)cc2N1 69371164 FRPIFOUYOXZQAN-ZDUSSCGKSA-N 326.356 1.691 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(-c3ccccc3F)nc21 8395178 LMMKXQHFBFVIAF-UHFFFAOYSA-N 343.314 1.999 0 40 EDAB CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)Cn2cccn2)C1 69490597 GZPUPMMSVMGIEK-OWCLPIDISA-N 334.464 1.920 0 40 EDAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)NC[C@H]1CCCO1 9502632 AJXAWHZTQVFSPN-PSASIEDQSA-N 328.463 1.888 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](C)Nc2ccc3ncsc3c2)CC1 71818566 PHJSAVUXEVBIJG-NSHDSACASA-N 332.429 1.787 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)NCc1ccc(F)cc1 69706111 QATIFKPRHUSFJC-QZTJIDSGSA-N 347.434 1.917 0 40 EDAB C[C@@H](NCCn1cccn1)C(=O)N1CCN(Cc2ccccc2)CC1 71879233 JJOXJFBGJPWPLN-QGZVFWFLSA-N 341.459 1.206 0 40 EDAB CCn1cnnc1CCNC(=O)Cc1ccccc1Br 71896237 KTSZPJRZNRKAIS-UHFFFAOYSA-N 337.221 1.962 0 40 EDAB C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OC(F)(F)F)CCO1 71819803 PQJMAYGROJXYGK-SECBINFHSA-N 332.278 1.771 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)CS(=O)(=O)C2CCCC2)c1 71869839 HLDQTVGUUJZAOP-CQSZACIVSA-N 339.461 1.540 0 40 EDAB Cc1cc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)on1 69849434 WLQVDMOTHGFSLQ-INIZCTEOSA-N 331.416 1.541 0 40 EDAB Cc1cccc(OC[C@H](O)CN[C@H]2CCCN(c3cccnn3)C2)c1 69969107 FHVZPASPPUVTOA-DLBZAZTESA-N 342.443 1.783 0 40 EDAB CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCOC(C)(C)C1 69902727 UOAKNTZNTPUPAS-AWEZNQCLSA-N 344.419 1.490 0 40 EDAB C[C@@H](CNS(=O)(=O)/C=C/c1ccccc1)CN1CCN(C)CC1 71817352 VKAGKQHPCHBOFN-OIQJVACTSA-N 337.489 1.460 0 40 EDAB O=C(NCC1CCS(=O)(=O)CC1)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 95440339 RDHFVHCRAAGVLT-ARFHVFGLSA-N 334.441 1.449 0 40 EDAB C[C@@H](NC(=O)N1CCNC(=O)CC1)c1cnn(Cc2ccccc2)c1 95440847 SJZZHYJPQOZKQJ-CQSZACIVSA-N 341.415 1.524 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)N(C)C)CC2)cc1 97079680 JHDPRTOCOTWVRO-CYBMUJFWSA-N 346.431 1.515 0 40 EDAB O=C(NCCc1cc(F)ccc1F)NC[C@H]1CC(=O)N(C2CC2)C1 97058355 AGBSFKKITHYQCK-LLVKDONJSA-N 337.370 1.817 0 40 EDAB CCN1N=C(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)CCC1=O 72271436 OGMFYLWHFOOHPS-GFCCVEGCSA-N 347.419 1.897 0 40 EDAB CN(C)CCNC(=O)Cn1ccc(NC(=O)CCc2ccsc2)n1 72291527 OJLLGWFBSVGEEU-UHFFFAOYSA-N 349.460 1.194 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)Nc1cc(C(N)=O)c(F)cc1F 72273351 KGDNARIZTHPTHC-UHFFFAOYSA-N 343.330 1.917 0 40 EDAB CS(=O)(=O)c1ccccc1N1CCC(C(=O)N2CCCC2)CC1 72296384 BHDAMFLLBUPUFO-UHFFFAOYSA-N 336.457 1.929 0 40 EDAB C[C@]1(n2cc(CNCCOc3ccccc3)cn2)CCS(=O)(=O)C1 95427494 YTUQWIPUKYTVET-KRWDZBQOSA-N 349.456 1.585 0 40 EDAB Cc1nc(C)c(CCC(=O)N2CCO[C@@H](c3ccccc3)C2)c(=O)[nH]1 73923093 UFGKRMASKGTMES-QGZVFWFLSA-N 341.411 1.919 0 40 EDAB CS(=O)(=O)NCCC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 95955514 WUSRXDFYRFVHHI-HIFRSBDPSA-N 344.408 1.101 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)c2cnc(-c3ccccc3)nc2)cn1 75145969 SHABYOCOTSZXII-SFHVURJKSA-N 337.383 1.515 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)[C@H]1COc3ccccc3C1)C2 75129095 PEJWSEUWZJLMIB-OAHLLOKOSA-N 338.411 1.679 0 40 EDAB CCC1(CNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CCC1 89948172 WPKIAQTYGGGMPK-AWEZNQCLSA-N 336.480 1.561 0 40 EDAB CCN1CCN(CCNC(=O)Nc2cccnc2N2CCCC2)CC1 89977334 BOHSGNHZXSIZKF-UHFFFAOYSA-N 346.479 1.441 0 40 EDAB Cn1cc([C@@]2(C)CN(C(=O)COc3ccccc3F)CCO2)cn1 89919531 ACOWMHQOVOVJNG-QGZVFWFLSA-N 333.363 1.712 0 40 EDAB CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc(-c3nnc(C)o3)c2)N(C)C1 551953302 NUMLQYVYEHBRET-HOTGVXAUSA-N 344.415 1.836 0 40 EDAB CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)O1 306125470 CSBXZYNJDVZDME-KSSFIOAISA-N 349.431 1.504 0 40 EDAB Cc1nc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)nn1C 36752283 VKQPBFJREVSECA-UHFFFAOYSA-N 335.751 1.141 0 40 EDAB COc1cc2ncn(CCC(=O)NC3CCCC3)c(=O)c2cc1OC 32070401 DLQDMSWREUWNKQ-UHFFFAOYSA-N 345.399 1.863 0 40 EDAB CC[C@@H](CN1CCOCC1)NC(=O)C1(c2ccccc2)CCOCC1 36741468 NJUOCHAFXMSVFA-SFHVURJKSA-N 346.471 1.962 0 40 EDAB Cc1nsc(N[C@@H]2CCCCCN(C(=O)[C@H]3CCNC3=O)C2)n1 1049943911 KQDJCPHTRJTGHK-NEPJUHHUSA-N 337.449 1.166 0 40 EDAB Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(C)on3)n2)n1 70655928 XXKDODIEBDBHSX-LBPRGKRZSA-N 342.359 1.542 0 40 EDAB Cn1nc(C(=O)NCCCO[C@H]2CCCc3ccccc32)ccc1=O 70874162 AIMWIMOWTANNFG-KRWDZBQOSA-N 341.411 1.994 0 40 EDAB COCCNC(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2 71327956 YDHZDIZYUOHNHH-UHFFFAOYSA-N 343.427 1.741 0 40 EDAB O=C1N[C@@]2(O)C(=O)c3ccccc3[C@]2(O)N1c1cccc(Cl)c1 39379197 ZYFGVOTWOJEPFK-HZPDHXFCSA-N 330.727 1.600 0 40 EDAB O=C1CN(C(=O)c2cn[nH]n2)[C@@H](c2ccccc2)c2ccccc2N1 72174469 AMBVBMZEMRPJGU-KRWDZBQOSA-N 333.351 1.989 0 40 EDAB COc1cc(CNC(=O)c2cnn(-c3ccc(F)cc3)n2)ccn1 78053826 WOFDKTVEUGZTJA-UHFFFAOYSA-N 327.319 1.740 0 40 EDAB CNC(=O)c1ccc(NC(=O)c2cc(C)nc(N3CCCC3)n2)cc1 72241127 WZFGSCSWDKXFDR-UHFFFAOYSA-N 339.399 1.997 0 40 EDAB Cc1c(C(=O)N(C)C)sc2[nH]c(=O)n(Cc3ccccc3)c(=O)c12 71328554 JDARYOGWGBPLMB-UHFFFAOYSA-N 343.408 1.810 0 40 EDAB Cc1coc(C)c1C(=O)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 225469821 YJXUYTOGCFIAFZ-UHFFFAOYSA-N 348.380 1.900 0 40 EDAB CSc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(C)=O 225695056 VIJJVZSAZBDADF-UHFFFAOYSA-N 330.431 1.388 0 40 EDAB O=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccccc3F)CCN12 85436215 PDHOZXYKGDIVQZ-MRXNPFEDSA-N 333.407 1.927 0 40 EDAB biogenic,in-vitro C[C@@H]1CCCCN1S(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 226687130 POIBNFSGKVLMEJ-CYBMUJFWSA-N 340.445 1.717 0 40 EDAB COCCN1CCCN(C(=O)c2ccccc2-c2cncnc2)CC1 96420701 JBHCHZUBGMHNCQ-UHFFFAOYSA-N 340.427 1.938 0 40 EDAB Cn1cc(CN2CCOC[C@]3(CCN(c4ccccn4)C3)C2)cn1 96202241 FHFQIKRZIXBSHL-GOSISDBHSA-N 327.432 1.544 0 40 EDAB COc1cc(=O)n(CC(=O)NC[C@@H]2CCCO2)nc1-c1ccccc1 96184152 WBVBETKJDLCIFN-AWEZNQCLSA-N 343.383 1.214 0 40 EDAB COCC(=O)N1CC[C@@]2(CCN(Cc3cccc(OC)c3)C2=O)C1 96050694 IZHZVFIEBSZIHV-SFHVURJKSA-N 332.400 1.293 0 40 EDAB Cn1cccc1C(=O)N1CCC[C@]2(CCCN2S(C)(=O)=O)C1 96215184 BCIHTTTVLPALHR-HNNXBMFYSA-N 325.434 1.055 0 40 EDAB COc1ccc(CN2C[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]3C2=O)cc1 96245350 LGICIDISLZHYFG-WMZOPIPTSA-N 340.427 1.519 0 40 EDAB c1cc(CN2CC[C@@H]3CN(C4CCOCC4)CCO[C@@H]3C2)ccn1 96249667 UWVMDBCTJNPHSM-IEBWSBKVSA-N 331.460 1.783 0 40 EDAB O=C(c1cnoc1)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CCO2)C1 96209243 YJUCTXHBCFAPMN-XJKSGUPXSA-N 329.360 1.340 0 40 EDAB CC(C)NC(=O)N1CCO[C@@]2(CCCN(c3nncs3)C2)C1 96226639 ZEWOYEFDDQNVIN-AWEZNQCLSA-N 325.438 1.327 0 40 EDAB CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(F)cc1 96186220 BPTFGTVHTSPSCL-IAGOWNOFSA-N 347.434 1.522 0 40 EDAB O=C(c1cccnc1)N1CC[C@]2(C[C@H](Oc3ncccn3)CO2)C1 96218750 WBXUQGZKVMKJGN-YOEHRIQHSA-N 326.356 1.324 0 40 EDAB C[C@@H]1Cc2ccccc2[C@@H]1NCCNS(=O)(=O)Cc1ccon1 95423619 OFHVRCLNGQVSFD-MLGOLLRUSA-N 335.429 1.617 0 40 EDAB O=C(O)C1=CN(Cc2ccccc2)S(=O)(=O)N=C1C(F)(F)F 96516565 DOEXAKDJJMEGOQ-UHFFFAOYSA-N 334.275 1.719 0 40 EDAB O=C(NCCNc1ccccn1)[C@@H]1CN(Cc2ccccc2)CCO1 96421660 VLNNJPZMKMIHBV-KRWDZBQOSA-N 340.427 1.511 0 40 EDAB Cc1cc(Br)c2[nH]nc(NC(=O)[C@@H]3COCCO3)c2c1 585129109 YCQVQAUJUXZMLP-JTQLQIEISA-N 340.177 1.988 0 40 EDAB COc1cc(N2CC3(CC[C@@H](CNc4ncccn4)CO3)C2)ncn1 247866413 BCNDMGCWYAGZDN-ZDUSSCGKSA-N 342.403 1.373 0 40 EDAB CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(CCC(C)(C)C)C2)C1 604381745 MNCJDUDQKDFQEZ-MRXNPFEDSA-N 337.508 1.676 0 40 EDAB biogenic,in-vitro O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](c2ccnc(O)n2)C1 257226271 FJYFZSIRQNCVOY-LLVKDONJSA-N 337.376 1.890 0 40 EDAB Cc1cc(C)nc(N2CCC[C@]2(C)c2nc(C)cc(C(N)=O)n2)n1 257312607 UOTHYSCFKNBKFY-QGZVFWFLSA-N 326.404 1.806 0 40 EDAB COc1ncc(CN2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)cn1 257260362 LCNVSTZMVACJDQ-KRWDZBQOSA-N 343.431 1.828 0 40 EDAB CNc1cc(CC[C@H]2CN(C(=O)Cc3cccnc3)CCO2)ccn1 257270453 MUHDCKHEWKKKAE-KRWDZBQOSA-N 340.427 1.921 0 40 EDAB Cc1cc(CN(C)C(=O)[C@@H]2CN(c3ccc(F)cc3)CCN2)n[nH]1 257234381 GTGWKOTYYBYFPP-INIZCTEOSA-N 331.395 1.294 0 40 EDAB Cn1nc(N)c2ccc([C@@H]3CCCN(C(=O)C4(N)CCCC4)C3)nc21 257302889 SEVVIYWMRRDQQX-GFCCVEGCSA-N 342.447 1.528 0 40 EDAB Cn1c(C(F)(F)F)nn(CCNC(=O)/C=C/c2ccco2)c1=O 85555724 QEFUDFVSBZHRES-SNAWJCMRSA-N 330.266 1.023 0 40 EDAB O=C(NC[C@@]1(O)CCc2ccccc2C1)C(=O)Nc1cccnc1 85560410 FKWHRRCOCXXTPZ-GOSISDBHSA-N 325.368 1.056 0 40 EDAB CNc1cc(CC[C@@H]2CN(C(=O)CCn3ccnc3)CCO2)ccn1 257334716 YHBVBHPALBUOIJ-MRXNPFEDSA-N 343.431 1.570 0 40 EDAB NC1(C(=O)N2CCCC[C@H]2c2cc(O)n3ccnc3n2)CCCC1 257212401 CDGKINRJASKPHE-ZDUSSCGKSA-N 329.404 1.760 0 40 EDAB Cn1cc(-c2cncc(C[C@@H]3CCCN(S(C)(=O)=O)C3)n2)cn1 257314014 UVAIQTCTZXHCPH-LBPRGKRZSA-N 335.433 1.091 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCO[C@H](CCc2cc(O)ncn2)C1 257285600 PHXMCBVGVIEXJX-CQSZACIVSA-N 346.387 1.190 0 40 EDAB Cc1c[nH]c([C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1 257214027 CKFHMACHFHOHHK-HNNXBMFYSA-N 335.429 1.695 0 40 EDAB Cc1c(CCC(=O)N2CCO[C@@H](c3cccc(N)n3)C2)cnn1C 257235645 GYTGHNVLLAAANX-OAHLLOKOSA-N 329.404 1.238 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCO[C@@H](CCc3ccncn3)C2)n1 257321091 WABDEVJVQMNWKV-INIZCTEOSA-N 329.404 1.150 0 40 EDAB COCCN(CC(C)C)C(=O)C1=NN(c2ccccc2)C(=O)CN1 24695904 JXLXGAMDTPROKG-UHFFFAOYSA-N 332.404 1.067 0 40 EDAB Cc1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCC[C@H]1O 185011279 SRAHBFFSSOZVCO-GHMZBOCLSA-N 334.235 1.949 0 40 EDAB C[C@]1(NC(=O)CCSCc2nc(O)c3ccccc3n2)CCNC1 595991010 FQGUYJCRNPLCIS-KRWDZBQOSA-N 346.456 1.827 0 40 EDAB CO[C@H](CS(=O)(=O)Nc1ccc2ncnc(O)c2c1)C(C)C 1615587687 JASXPEQCVDKOME-CYBMUJFWSA-N 325.390 1.748 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c(C)o1 390829872 HFGSPLXOHXNTEO-GFCCVEGCSA-N 326.360 1.343 0 40 EDAB O=S(=O)(CCC(F)(F)F)NC[C@H](c1ccco1)n1cccn1 575604753 FCDAJBOJVFUSDE-SNVBAGLBSA-N 337.323 1.937 0 40 EDAB CCn1cc(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cn1 575410739 DPKUPZQWCIUOLO-LLVKDONJSA-N 325.365 1.844 0 40 EDAB COCCN1C[C@@H](COC)C2(CCN(C(=O)c3cccn3C)CC2)C1 585104332 ZEXDWMGVBOGUNA-INIZCTEOSA-N 349.475 1.472 0 40 EDAB O=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)[C@@H]1[C@H]2COC[C@H]21 585110643 ROAHYHZATRAAII-OIPACUDHSA-N 328.412 1.124 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC(C)(C)C(=O)c1ccccc1 585139900 IFHCGJUTNLVFQZ-UHFFFAOYSA-N 335.429 1.977 0 40 EDAB CC(C)[C@H](C)N(C)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 27180732 DGBMTEOUPRZIDW-RYUDHWBXSA-N 337.445 1.617 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)c(C)s1 28325792 IHKWVRZTXAVQHL-GFCCVEGCSA-N 328.459 1.797 0 40 EDAB Cc1cnc(C(=O)NC[C@H](NC(=O)c2cnc(C)cn2)C(C)C)cn1 69901380 DUZLHEHJBIYLFV-ZDUSSCGKSA-N 342.403 1.068 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1 44329081 LUDMEQLKNCVADH-INIZCTEOSA-N 329.444 1.508 0 40 EDAB O=S(=O)(c1ccccc1C(F)(F)F)N1CC(Cn2cncn2)C1 888107069 WSJJBCWJIJJRNN-UHFFFAOYSA-N 346.334 1.618 0 40 EDAB COc1ccccc1N1CCN(Cn2nc3ccccn3c2=O)CC1 57362639 CDPCGPMBUBOQSF-UHFFFAOYSA-N 339.399 1.284 0 40 EDAB O=C(NCc1cccc2c1OC(F)(F)O2)c1ccnc2[nH]c(O)nc12 1585681401 MDLYBFWXZIVEKN-UHFFFAOYSA-N 348.265 1.915 0 40 EDAB CCc1nc(NC(=O)CN2CC[C@](O)(C(F)(F)F)C2)sc1C 81051965 MKTLCDJJINSZNO-GFCCVEGCSA-N 337.367 1.952 0 40 EDAB CCn1cnnc1CNS(=O)(=O)c1ccc2onc(Cl)c2c1 585086196 CXBSBSYDZHEMBZ-UHFFFAOYSA-N 341.780 1.571 0 40 EDAB COCCOc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1 182295419 FUWSZTCGJQRLNR-UHFFFAOYSA-N 342.399 1.464 0 40 EDAB COCCNC(=O)CN1C(=O)S/C(=C\C=C\c2ccco2)C1=O 8105028 KFWNYQNNJGGQFR-RWVMUBBESA-N 336.369 1.635 0 40 EDAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccco2)cc1C 5860420 GGGKXUXNCVLFEX-UHFFFAOYSA-N 336.413 1.881 0 40 EDAB O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 17067218 IRNVOGJRZNPZSB-SYMSYNOKSA-N 328.368 1.190 0 40 EDAB CCCn1c(N)c(C(=O)CSc2nc(C)cs2)c(=O)[nH]c1=O 5101567 LYDAVIJQUKFNLJ-UHFFFAOYSA-N 340.430 1.269 0 40 EDAB Cn1cc(C(=O)N2CC[C@H](COc3ccc(C(C)(C)C)nn3)C2)nn1 1888853818 XRFJZSPMRAOHLU-LBPRGKRZSA-N 344.419 1.444 0 40 EDAB COCCN1CC2(CCN(C(=O)c3ccncc3OC)CC2)CC1=O 1565547678 WBCXXAZSNCOXIK-UHFFFAOYSA-N 347.415 1.191 0 40 EDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)C2CCOCC2)C1 2055747176 NVEYTVHOGAPHRM-GOSISDBHSA-N 349.406 1.381 0 40 EDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)CCOC)CC1 2055745671 SLGDQAKUKQDOFS-UHFFFAOYSA-N 337.395 1.381 0 40 EDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)C(C)C)CC1 2055750958 RISVHUCVAZITAA-UHFFFAOYSA-N 333.432 1.870 0 40 EDAB CCc1ccc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)N3CCOCC3)C2)cn1 2055815374 DBLHLTKCGNLMBO-APWZRJJASA-N 343.427 1.355 0 40 EDAB Cc1nc(C)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c1C 1775967547 WBBKINDPBBPUPC-UHFFFAOYSA-N 329.356 1.578 0 40 EDAB COCCN1CCC(CNC(=O)c2ccc(OC)c(OC)c2)CC1 23014315 GKJAZJNPTLJLDC-UHFFFAOYSA-N 336.432 1.792 0 40 EDAB CC(C)NC(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147600 FFQDOORQJUNZRM-UHFFFAOYSA-N 338.433 1.428 0 40 EDAB COC(=O)c1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)cc1 575618050 HLJODJGQTHHUIS-UHFFFAOYSA-N 337.339 1.379 0 40 EDAB O=C(NCc1nnc2n1CCC2)N1CC=C(c2ccc(O)cc2)CC1 40487717 AQBJNVSDRUFRIT-UHFFFAOYSA-N 339.399 1.929 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@H]4CC(=O)[C@@H](CC4=O)[C@H]3C2=O)cc1Cl 100811120 QVXSDPZASGYXCG-LMHVJCSRSA-N 331.755 1.932 0 40 EDAB CC(=O)N1CCN(C(=O)c2cnn(-c3ccccn3)c2C(C)C)CC1 40513896 HYNNMMIYWSDQJC-UHFFFAOYSA-N 341.415 1.695 0 40 EDAB CCn1c(=O)n(CC(=O)N[C@H]2CCN3CCCC[C@H]23)c2ccccc21 40534848 WXIGODRSSOAZCE-LSDHHAIUSA-N 342.443 1.566 0 40 EDAB CC(=O)C1=NO[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 100915461 LSYOTFNXUBUFFG-GXSJLCMTSA-N 326.230 1.539 0 40 EDAB CCOc1ccc(OCCNC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1 20963659 KAUONAQXLWPCKS-GJZGRUSLSA-N 336.432 1.690 0 40 EDAB CC(=O)Nc1ccc(OC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 32754508 AEVMIERBBOEEAP-CQSZACIVSA-N 340.401 1.365 0 40 EDAB Cc1nnc(SCC(=O)NC[C@H]2CCCO2)n1-c1ccccc1 21558649 LRICOYSQDIWOEN-CQSZACIVSA-N 332.429 1.963 0 40 EDAB COc1ccc(OC[C@@H](O)Cn2ncc(=O)c3ccccc32)cc1 32815364 ZBSSPAVGHYUZOC-ZDUSSCGKSA-N 326.352 1.845 0 40 EDAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OC(C)C)[C@H]3C1=O 488523 VTCRUVJPMOKWNC-OAFZBRQQSA-N 343.379 1.933 0 40 EDAB biogenic Cn1ccc(CN2CCC(C(=O)Nc3ccccn3)CC2)cc1=O 52829145 XFWUCMIZRNEDDT-UHFFFAOYSA-N 326.400 1.631 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCC[C@@H](n3ccnc3)C2)c2ccccc21 69656624 VGPNJTGZGBNPEI-CQSZACIVSA-N 339.399 1.400 0 40 EDAB C[C@@H](NC(=O)C1(S(C)(=O)=O)CCCC1)c1ccc2c(c1)OCO2 69627225 MKFWDYGGBVTXHZ-LLVKDONJSA-N 339.413 1.950 0 40 EDAB CSc1ccc(NC(=O)[C@@H](C)N2CCC(NC(N)=O)CC2)cc1 72308782 CWLRKILLYSUMOF-LLVKDONJSA-N 336.461 1.868 0 40 EDAB COc1ccc([C@@H](NC(=O)CNC[C@@H]2CN(C)CCO2)C(C)C)cc1 69652970 WZYPWLCEOKXSOQ-MJGOQNOKSA-N 349.475 1.429 0 40 EDAB COC[C@H](C)NCc1ccc(OCC(=O)N2CCCC2)c(OC)c1 60816665 GPADEQSGVZKSDE-AWEZNQCLSA-N 336.432 1.821 0 40 EDAB CN(Cc1ccc(-c2ccccc2)cc1)C(=O)CN1C(=O)CNC1=O 60802032 RVELJIHWJABXJP-UHFFFAOYSA-N 337.379 1.864 0 40 EDAB C[C@H]1CCC[C@H](NC(=O)Cn2nnc(COc3ccccc3)n2)C1 33183745 KNSWRTJAGQQLBW-KBPBESRZSA-N 329.404 1.947 0 40 EDAB C[C@H]1CCCN(CCNC(=O)C2CCN(C(=O)c3ccoc3)CC2)C1 46861544 FTWAHSVAGXHBES-HNNXBMFYSA-N 347.459 1.980 0 40 EDAB C[C@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F 78875405 JYQOTZIEIDPLRZ-JQWIXIFHSA-N 342.392 1.441 0 40 EDAB Cn1ccc(C(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)cc1=O 79057033 YSAAKNZXKIHEMS-UHFFFAOYSA-N 344.758 1.976 0 40 EDAB CCCCC[C@H](C)CC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 79585540 CXVITJMJXYRSIL-KBPBESRZSA-N 333.498 1.625 0 40 EDAB CC(C)NS(=O)(=O)[C@H]1CCN(Cc2c[nH]nc2-c2cccnc2)C1 91898295 WXURWTDIWWBPII-HNNXBMFYSA-N 349.460 1.374 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)c1cc2ccccc2oc1=O 3420194 SWXICXXMFSFJQO-UHFFFAOYSA-N 332.312 1.184 0 40 EDAB CCCCNC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1 4250226 IRVHWOABXRKELE-UHFFFAOYSA-N 331.372 1.315 0 40 EDAB CCN1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 4884575 WBUOAAWGZNQQAU-KYZVSKTDSA-N 330.384 1.192 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(C[C@](C)(O)c3ccccc3)C2)C1=O 84597321 DFJNQKUTNXLWIC-ZWKOTPCHSA-N 331.416 1.299 0 40 EDAB CCC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 6946456 PFUVPYBVUDJHDX-LBPRGKRZSA-N 328.434 1.766 0 40 EDAB COc1cc(CNn2nnnc2N)ccc1OCc1ccc(F)cc1 7602433 YQHQQQVXHDVUEC-UHFFFAOYSA-N 344.350 1.726 0 40 EDAB Nn1c(SCc2nnc(-c3ccco3)o2)nnc1C(F)(F)F 7814853 UYFCJNHMDMTWSF-UHFFFAOYSA-N 332.267 1.946 0 40 EDAB NC(=O)CCCNC(=O)COc1ccc(Br)cc1Cl 42926926 BVRHHVWWSONROM-UHFFFAOYSA-N 349.612 1.863 0 40 EDAB COc1cccc(CNC(=O)C(=O)NCc2ccccc2OC)c1 9991807 NTRCHJFERRJBDT-UHFFFAOYSA-N 328.368 1.636 0 40 EDAB C[C@H](NC[C@H]1CN(C)CCO1)C(=O)N[C@H](C)c1ccc(Cl)cc1 106787775 RAGOJZRZBLPWFR-WWGRRREGSA-N 339.867 1.826 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)C[C@H]1N1CCOCC1 107057818 JNMCTOXDLCVGCC-ATNYBXOESA-N 346.427 1.394 0 40 EDAB Cc1ccccc1OC[C@@H](C)NC(=O)NCC(=O)NCC(F)(F)F 56861964 RTPJTIIZEPXGKC-LLVKDONJSA-N 347.337 1.740 0 40 EDAB Cc1ccc(N2CCC[C@H](NC[C@@H](O)COCc3ccco3)C2)nn1 108075596 SMSWZFROWPEWNV-JKSUJKDBSA-N 346.431 1.514 0 40 EDAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 108183416 ZTYVKJOWNSYFOI-SRVKXCTJSA-N 327.384 1.773 0 40 EDAB COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 1725876 XJNLCCIXRQPNFH-AWEZNQCLSA-N 336.388 1.617 0 40 EDAB c1ccc(CN2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)nc1 107738986 RYNNEYGXEHNJQA-WMZOPIPTSA-N 328.416 1.586 0 40 EDAB CCOc1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1OC 44719453 DXNWYQFPIICNEY-LLVKDONJSA-N 327.402 1.258 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)C1 44890717 VSYZMHSXZAKIGF-ZDUSSCGKSA-N 346.818 1.922 0 40 EDAB O=C(NC[C@H]1CCCN(C(=O)N2CCOCC2)C1)c1ccccc1 176501022 SFVGHACRHIFTOY-OAHLLOKOSA-N 331.416 1.581 0 40 EDAB NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)F)C1 58267101 IYRXYDCNLKRTLR-SECBINFHSA-N 334.344 1.174 0 40 EDAB CN(C1CCN(C(=O)CSc2ccccc2)CC1)S(C)(=O)=O 58266193 PFGGRRDUHQOQEL-UHFFFAOYSA-N 342.486 1.661 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)CCc1nc(-c2cccnc2)no1 48262844 NSHDHUQKTSUVTC-CYBMUJFWSA-N 330.388 1.949 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCCCC3)nc2)C1 44953121 HUBNSFVRABEPBU-OAHLLOKOSA-N 345.447 1.479 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 44974337 JRQWNAPGFHQHCR-VXGBXAGGSA-N 333.436 1.293 0 40 EDAB COCCCNC(=O)CN(C)C(=O)c1ccc(-n2cccc2)cc1 58394242 OVHWTWCQVNICSM-UHFFFAOYSA-N 329.400 1.702 0 40 EDAB CCCOc1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c1 69741358 CUOTUEQYJXUCFI-KRWDZBQOSA-N 346.427 1.939 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)N(C)c1nccs1 69703994 SNSZPOBAZYWECE-UONOGXRCSA-N 336.461 1.581 0 40 EDAB COC(=O)CNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 36350732 VNBCDSGFCPKRRU-ZDUSSCGKSA-N 326.780 1.384 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1csc2ccccc12 25026553 NDBHTUMJTGVRLC-GFCCVEGCSA-N 332.381 1.405 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)N1CCN(C[C@H]2CCCO2)CC1 59320250 SLYWYNRRTGKOGQ-IAGOWNOFSA-N 345.443 1.496 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)c1ccsc1 45809515 CERFPBYGKMTOBS-JTQLQIEISA-N 348.881 1.716 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cc2cc(OC)cc(OC)c2[nH]1 48314927 DSXVMOUVGCBEER-CQSZACIVSA-N 345.399 1.926 0 40 EDAB COc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1O 48326538 TVIRVSFQPWKQDP-UHFFFAOYSA-N 343.387 1.223 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)NC1CCCC1 48300288 IYSDEFNXLBWNSF-LBPRGKRZSA-N 336.457 1.901 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)CN(C)Cc2ccsc2)C1 12992305 UHMSFQPPTXRCHG-MRXNPFEDSA-N 339.505 1.653 0 40 EDAB O=S1(=O)C[C@H](N2CCCCC2)[C@@H](S(=O)(=O)c2ccccc2)C1 13371251 ZQNBXDVIKNGNDY-GJZGRUSLSA-N 343.470 1.112 0 40 EDAB COC1CCN(S(=O)(=O)c2cc(C(=O)O)cc(C)c2C)CC1 13454916 PWFVQOKRIUECIV-UHFFFAOYSA-N 327.402 1.801 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2cccc3[nH]ncc23)CC1 69947140 PKVVKCYBYHHTTQ-INIZCTEOSA-N 330.432 1.728 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NOCc2ccccc2)cc1 8777875 KXELXUPSVGYSCX-UHFFFAOYSA-N 348.424 1.864 0 40 EDAB O=C(CNc1nc(C2CCCC2)nc2c1CCNCC2)NC1CC1 72473704 DADUGMVJFIUQOX-UHFFFAOYSA-N 329.448 1.513 0 40 EDAB CCn1cc(C(=O)NC[C@@H]2CCCO2)c(=O)c2cc(OC)ccc21 22235701 NEUOCEHBCGATLS-ZDUSSCGKSA-N 330.384 1.939 0 40 EDAB C[C@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)C[C@@H]1CCCO1 65405154 QQBISOPPBJBVCG-YPMHNXCESA-N 345.848 1.939 0 40 EDAB C[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cnn(CC(N)=O)c1 65414199 PTRHJDBGIDZADB-SNVBAGLBSA-N 335.795 1.775 0 40 EDAB CCOc1ccc(N2C[C@@H](C(=O)NCCN(C)C3CC3)CC2=O)cc1 65433779 BNKSXHLEVVBBDL-AWEZNQCLSA-N 345.443 1.649 0 40 EDAB Cn1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cn1 65610812 RLBZPCJKUWHOEF-NSHDSACASA-N 340.430 1.273 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cnc(C4CC4)s3)CC2)n1 65608445 FMHJMEUZGAAZFD-UHFFFAOYSA-N 345.428 1.782 0 40 EDAB CCn1nnc2cc(C(=O)Nc3cccc(-c4nnnn4C)c3)ccc21 14516359 DSGKSKRHGGJXOO-UHFFFAOYSA-N 348.370 1.894 0 40 EDAB NC(=O)CN1CCC[C@@H](NC(=O)c2cc3c(s2)CCCCC3)C1 66449442 BFSNRAZIOGDJAL-CYBMUJFWSA-N 335.473 1.697 0 40 EDAB COC(=O)Cc1cc(=O)[nH]c(Nc2nc(C)c3ccccc3n2)n1 6812824 BJZDQJREKFISJE-UHFFFAOYSA-N 325.328 1.481 0 40 EDAB biogenic O=c1c2cnc(N3CCSCC3)nc2nc(O)n1Cc1ccco1 67264336 CYCYKKBVTHUWDJ-UHFFFAOYSA-N 345.384 1.087 0 40 EDAB COCCc1noc(Cn2nnnc2CCCc2ccccc2)n1 80293290 BMCFDGWSFDVFII-UHFFFAOYSA-N 328.376 1.469 0 40 EDAB COCCOc1ncccc1C(=O)NCc1cn2c(C)cccc2n1 68571665 QLILZCXGDMNWAT-UHFFFAOYSA-N 340.383 1.993 0 40 EDAB CCN(CC(=O)Nc1cc(C)on1)CC(=O)Nc1ccccc1OC 7905965 KDKWBNMLAJPZGB-UHFFFAOYSA-N 346.387 1.891 0 40 EDAB NC(=O)c1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 8270751 SKTAMQQXCYPIJZ-UHFFFAOYSA-N 348.362 1.694 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)n1 69349680 JMKOWSCVHFYNAP-KRWDZBQOSA-N 346.431 1.452 0 40 EDAB CCc1noc(CNc2cccc3c2CCN(S(C)(=O)=O)C3)n1 69374672 JXCOCTUQPXSFQP-UHFFFAOYSA-N 336.417 1.562 0 40 EDAB Cc1cc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)nc(N)n1 69443128 PQQLTVVVQJFCNT-ZDUSSCGKSA-N 330.367 1.907 0 40 EDAB NC(=O)[C@@H]1CC(C(=O)N2CCCc3ncccc32)=NN1c1ccccc1 69488653 JPLHMAQIQKCXBF-KRWDZBQOSA-N 349.394 1.481 0 40 EDAB Cc1ccc2nc3sc(C(=O)N4CCOCC4)cc3c(=O)n2c1 17122394 ASKVMNUAADVLGC-UHFFFAOYSA-N 329.381 1.690 0 40 EDAB Cc1ccccc1CNC(=O)N1CCC(C(=O)N2CCOCC2)CC1 69557861 QCOCOAMJMPNOLR-UHFFFAOYSA-N 345.443 1.775 0 40 EDAB CCOCCCNC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 69535282 GJDZDIBGTBMVAI-HNNXBMFYSA-N 334.416 1.587 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@H](N2CCCC2)C1 69589262 KWUUONNHFLNSAY-INIZCTEOSA-N 340.431 1.427 0 40 EDAB COc1ccc2c(c1)OC[C@@H]([C@]1(O)C(=O)N(C)c3ccccc31)C2=O 408569773 XUGFQZOCLYWGSZ-KUHUBIRLSA-N 339.347 1.751 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)c3snnc3CC)CC2)n1 69615224 BWDPUZJEAKRSKD-UHFFFAOYSA-N 348.432 1.252 0 40 EDAB CCc1nnc2n1C[C@H](CNCc1nc(-c3ccco3)no1)CC2 69661231 BGDDMNJWQMUPPA-NSHDSACASA-N 328.376 1.836 0 40 EDAB COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(OC)cc1OC 19831195 FYASBIMDFZULJP-UHFFFAOYSA-N 333.340 1.504 0 40 EDAB Cc1cccc(OCCN(C)[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 71794670 PDAORAYMJUXKRC-HNNXBMFYSA-N 347.459 1.418 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@@H]2c2cnn(C)c2)C1=O 71797021 CHEBDYYQUZXIMW-CYBMUJFWSA-N 347.419 1.194 0 40 EDAB Cc1noc(CCCNC(=O)[C@H]2CCCCN2Cc2ccncc2)n1 71883690 NNQBFIXRCKKBNY-MRXNPFEDSA-N 343.431 1.877 0 40 EDAB Cn1ccc(CN2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1=O 71833216 YJUVNBMADHCAGX-UHFFFAOYSA-N 343.402 1.411 0 40 EDAB O=C(C=C(C1CC1)C1CC1)NCCS(=O)(=O)N1CCSCC1 71884366 JXNXZSOPDOJTEW-UHFFFAOYSA-N 344.502 1.228 0 40 EDAB O=C(NCCCN1C(=O)CCC1=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 71879674 APDKGOSOACSPFY-QWRGUYRKSA-N 349.353 1.946 0 40 EDAB CCc1ccc([C@H](C)NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)cc1 71879309 JGLHBDOEXPPBKB-RLFYNMQTSA-N 333.476 1.735 0 40 EDAB CCOc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)CN(C)C2=O)cc1 71847835 SHROMRDOLDFHLO-HNNXBMFYSA-N 345.399 1.643 0 40 EDAB COc1cc(Cl)ccc1C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 71896316 SZPDCPPWDABHRX-JTQLQIEISA-N 346.836 1.489 0 40 EDAB Cc1noc(COC(=O)c2cnn3cc(Br)cnc23)n1 94161099 ALPYTEQTRLCREQ-UHFFFAOYSA-N 338.121 1.540 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@@H]3CCCc4c[nH]nc43)CC2)c1 83984319 TUDBWDOVMAIUAN-OAHLLOKOSA-N 341.415 1.582 0 40 EDAB CCC[C@H]1C[C@@H]1NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 97049767 VOXCDKDWJRFFPF-ZFWWWQNUSA-N 340.493 1.958 0 40 EDAB O=C1N[C@@H](c2ccc(Br)c3cccnc23)N2CCOC[C@@H]12 97046629 IOATVDPTOLZRQT-GXTWGEPZSA-N 348.200 1.827 0 40 EDAB CCN(CCNC(=O)N1CCC[C@H](CO)C1)C(=O)OC(C)(C)C 72274356 KMYLPDQKMGZFEP-ZDUSSCGKSA-N 329.441 1.657 0 40 EDAB CN(C)C(=O)c1cccc(CNC[C@@H]2CCCN2c2cccnn2)c1 72276775 NNLAVIHUVVFKHF-KRWDZBQOSA-N 339.443 1.937 0 40 EDAB Cn1cc(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c2ccccc21 72269539 PMTVNJPGURZTQZ-RBUKOAKNSA-N 341.455 1.778 0 40 EDAB O=C(NCCN1C(=O)CCCC1=O)[C@@H]1CCCN1Cc1ccccc1 72298200 FZMQITVFZJPBQO-INIZCTEOSA-N 343.427 1.306 0 40 EDAB O=C1[C@@H](NCc2nnc3n2CCCC3)CCN1c1ccccc1F 72299733 FBRCPRHWCWYEKY-ZDUSSCGKSA-N 329.379 1.649 0 40 EDAB Cc1cnn(CCNCC(=O)N(C)C[C@@H]2COc3ccccc3O2)c1 72253083 MZMCPUMKUORQBA-OAHLLOKOSA-N 344.415 1.080 0 40 EDAB CN1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@H]1c1ccc(F)c(F)c1 95978420 KEWXSEZSHLEGBB-NVXWUHKLSA-N 347.365 1.839 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCc1nccs1 75121647 BIDRFPNESVQELL-UHFFFAOYSA-N 341.396 1.456 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(C[C@@H]2CCCCO2)C1 89741301 KWGWAHMAMVIPJF-HOTGVXAUSA-N 333.480 1.768 0 40 EDAB CC(C)NC(=O)c1nsc(C(=O)NCc2ccccc2F)c1N 62006821 CPNSJDSSNKJSGF-UHFFFAOYSA-N 336.392 1.933 0 40 EDAB O=C(CN1CCN(C(=S)Nc2ccccc2)CC1)[C@H]1CCCN1 35191191 CWTYEUAWUBGAGR-OAHLLOKOSA-N 332.473 1.322 0 40 EDAB O=C1CCC[C@H](C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)C2)N1 1007562097 MCMIHTIKVVAREN-JKSUJKDBSA-N 333.407 1.575 0 40 EDAB CC(C)NC(=O)c1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 32072535 ZRBJPLUFJAPWTI-ZDUSSCGKSA-N 339.417 1.133 0 40 EDAB O=C(CN1CCN(CC(F)(F)C(F)F)CC1)NCc1ccco1 79311762 WTSIOCIOUMNJAW-UHFFFAOYSA-N 337.317 1.414 0 40 EDAB CC(=O)N1CCO[C@@H](c2cc(NCc3nccn3C)nc(C)n2)C1 72387094 JKLMYQHFLWVGGB-CQSZACIVSA-N 330.392 1.050 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 78996753 XRFDPRUNMLDPFI-HCYDYPBKSA-N 336.461 1.668 0 40 EDAB NC[C@@]1(N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218156927 MHPHAHDETPUDMN-IXDOHACOSA-N 346.408 1.011 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)CCO1 78883612 WWHMIMJEVNNHEC-AVGNSLFASA-N 342.317 1.522 0 40 EDAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3C(=O)CN)n2)n1 72382976 FKVFRWUEKIWQGN-ZDUSSCGKSA-N 327.392 1.249 0 40 EDAB COc1cccc(SCC(=O)N2CCC[C@@H](N3CCNC3=O)C2)c1 79044489 GSQXZCMWBZIGIA-CYBMUJFWSA-N 349.456 1.804 0 40 EDAB CC(=O)N[C@@H](C(=O)N(C)CC(=O)N(C)C1CCCCC1)C(C)C 41617992 MSGVTZQBIQCOCW-MRXNPFEDSA-N 325.453 1.397 0 40 EDAB Cc1ccc(CCNC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1 190182601 AIFFAGCTLFUCDN-JKSUJKDBSA-N 329.404 1.495 0 40 EDAB O=C(NCCc1cncnc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 225589428 CCNMEAVSHPGBHW-CYBMUJFWSA-N 328.347 1.328 0 40 EDAB CC(C)Oc1ncccc1C(=O)NS(=O)(=O)c1nccs1 225470529 UXCOKFYYVFNNMD-UHFFFAOYSA-N 327.387 1.444 0 40 EDAB c1ccc(CN2CCO[C@H]3CN(c4ncnc5[nH]ncc45)C[C@@H]32)cc1 96469743 YMVFTXKUXICNHZ-HOTGVXAUSA-N 336.399 1.443 0 40 EDAB COc1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2cnccn2)COC1 96112462 NNWNHDLCSWISDL-NSHDSACASA-N 339.355 1.336 0 40 EDAB biogenic,in-vitro Cn1ncc2c1[C@H](COCC1CC1)N(C(=O)c1cccnc1)CC2 96197790 KSCOILWRGDDPFV-INIZCTEOSA-N 326.400 1.981 0 40 EDAB Cc1csc(=O)n1CCC(=O)NCCc1nc2ccc(F)cc2[nH]1 96444517 QIRWWTYBMNWDAQ-UHFFFAOYSA-N 348.403 1.983 0 40 EDAB Cn1cc(CN2CC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cn1 96219582 JTHLGIYEZXSOMJ-GOEBONIOSA-N 332.383 1.195 0 40 EDAB Fc1cnc(N2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2cccnc2)nc1 96065810 YPGVJROSSNTQKR-ARFHVFGLSA-N 330.363 1.964 0 40 EDAB N[C@@H]1CCc2ncc(NC(=O)N3CCC[C@@H](CCO)CC3)cc2C1 333240644 DTZYHIIVHVKDEV-UKRRQHHQSA-N 332.448 1.914 0 40 EDAB Cn1c(=O)c2c(nc(Cl)n2Cc2cccc(Cl)n2)n(C)c1=O 96436616 UHCMZNBCDPXGOD-UHFFFAOYSA-N 340.170 1.184 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1 96042782 CLEUBIFMGKXNCA-CGTJXYLNSA-N 345.443 1.356 0 40 EDAB COC[C@H]1CN(CC2CC2)C(=O)[C@@H]2CCN([C@@H]3CCOC3)CC[C@H]12 96065570 FOTXLUANFDJHNX-BRSBDYLESA-N 336.476 1.618 0 40 EDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1cnn(C)c1 96410772 HGCQZIVJUTYYPG-CQSZACIVSA-N 349.822 1.431 0 40 EDAB CCn1ncc2c1CN(S(C)(=O)=O)C[C@H]2COc1cccnc1 96044678 SDQZBSHMPQKFHQ-LBPRGKRZSA-N 336.417 1.236 0 40 EDAB CN(C)C(=O)CN1CCC2(CCN(c3cccc(F)c3)CC2)C1=O 96157805 SLZZCXDZPKHMOO-UHFFFAOYSA-N 333.407 1.733 0 40 EDAB CCS(=O)(=O)N[C@@H]1CN(Cc2ccoc2)C[C@@H]2CCCO[C@@H]21 96040635 MGTQZOSNOLSNFP-ZNMIVQPWSA-N 328.434 1.198 0 40 EDAB Cc1cc(CN2CC3(C[C@@H](OCC(=O)N4CCCC4)CCO3)C2)no1 247942220 UXYICXHGQHLRNR-INIZCTEOSA-N 349.431 1.355 0 40 EDAB c1cncc(CN2[C@H]3CC[C@H]2c2cnc(N4CCOCC4)nc2C3)c1 253603103 VQNRZZXAQLZWDV-YJBOKZPZSA-N 337.427 1.970 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C3CCN(C)CC3)CCN2C)c1 257254016 KBGABUOGFVBGJK-SFHVURJKSA-N 330.476 1.429 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2CC(=O)N2CCCCC2)n1 257247489 IZGDRWRIBWYNNB-CQSZACIVSA-N 333.436 1.213 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCO[C@H](c3cccc(N)n3)C2)s1 257212708 CEQAXUMJKHVXSN-ZDUSSCGKSA-N 332.429 1.880 0 40 EDAB COC(=O)N(C)CCCC(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 584906716 ZIRFJZDRADUXJP-UHFFFAOYSA-N 334.332 1.447 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCC(c3cnccn3)CC2)ccn1 257310121 UDTQOWOZNLTCJI-UHFFFAOYSA-N 325.372 1.850 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257219332 DGKROPXYGINIFK-NSHDSACASA-N 341.414 1.314 0 40 EDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC(c2cnccn2)CC1 257269266 MPGMZACCMVUFRY-UHFFFAOYSA-N 335.367 1.733 0 40 EDAB Cc1nccn1CC(=O)N1CCCC[C@H]1c1cc(O)n2nccc2n1 257231683 GHVJVSHIIFFWOK-AWEZNQCLSA-N 340.387 1.694 0 40 EDAB Cc1ccccc1-n1nc(C(=O)N[C@H](CO)CCO)c2c1CCC2 585079698 IMFKVGPOQJCCAH-ZDUSSCGKSA-N 329.400 1.143 0 40 EDAB O=C(O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 1602075873 WVWOGXAOCNUGAR-UHFFFAOYSA-N 335.337 1.729 0 40 EDAB CN(C)C(=O)c1ccc(Cn2nnnc2N(C)CC2CCC2)cc1 1616032866 VKMCQIQCQBJBJI-UHFFFAOYSA-N 328.420 1.660 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3ccsc3)[C@H]2C1 575405773 TYFWDKBQZWANMJ-XFZHLKPQSA-N 334.441 1.607 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)Cc1c[nH]c2ccccc12 585287951 JLEPGGQFQZIHDF-NUJGCVRESA-N 332.400 1.598 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)Cc1ccc2c(c1)CCCC2 585279256 VPSVGICXYCHIKE-FQEVSTJZSA-N 344.455 1.991 0 40 EDAB CCn1c2c(ccc1=O)C[C@@H](NC(=O)Cc1ccc(F)cn1)CC2 585110668 ZGISJUVFTBAMFT-HNNXBMFYSA-N 329.375 1.619 0 40 EDAB COCc1nnc2n1CCN(C(=O)Cc1ccccc1C)[C@H](C)C2 585098477 TZRNDYCPDDLHCM-CQSZACIVSA-N 328.416 1.749 0 40 EDAB Cc1noc(CC(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2)n1 585097282 JOOUMRJFXKCVCR-CQSZACIVSA-N 344.419 1.014 0 40 EDAB Cc1cc(CN2Cc3ncn(C)c3C[C@@H]2CNc2ncccn2)no1 585094728 JJWKMHLARBEGQL-CQSZACIVSA-N 339.403 1.546 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 30719633 BTKUAQJQNIUVKW-INIZCTEOSA-N 334.397 1.352 0 40 EDAB COCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(SC)cc2)C1 71920357 KWEGSAYICYRNAU-ZDUSSCGKSA-N 337.445 1.184 0 40 EDAB Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](C)N1CCN(C)CC1 71921619 AGMFIRGRFKQMFF-CYBMUJFWSA-N 345.896 1.563 0 40 EDAB Cc1[nH]c2nc(NCc3ccc(F)cc3)nn2c(=O)c1CCC(=O)O 49465924 VMNWDUQVIPCOOF-UHFFFAOYSA-N 345.334 1.494 0 40 EDAB in-vitro COC(=O)[C@H](OC(=O)Cn1ccccc1=O)c1cccc(Cl)c1 73160252 CNZFMBBPPURTCS-OAHLLOKOSA-N 335.743 1.959 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)Nc2ccc(C)nc2N(C)C)C1 89626820 NRAJCVRFLWNINO-GFCCVEGCSA-N 335.408 1.808 0 40 EDAB Cc1c(CNC(=O)N2CCN(c3ncccc3F)CC2)cnn1C 90621891 XUVDABWXKLDUPQ-UHFFFAOYSA-N 332.383 1.294 0 40 EDAB CCN(C(=O)c1cc(Br)cn1CC)[C@@H]1CC(=O)NC1=O 95963770 MIHFHLXASIXLQN-SECBINFHSA-N 342.193 1.148 0 40 EDAB C[C@@H]1CCCCN1C(=O)Cn1nc(-c2cccs2)cc(N)c1=O 12146721 QKVIYTLXRYIJKG-LLVKDONJSA-N 332.429 1.955 0 40 EDAB O=C(Cn1c(=O)n(Cc2ccco2)c2ncccc21)N1CCCC1 13266777 BHPCSCVLHFINGA-UHFFFAOYSA-N 326.356 1.462 0 40 EDAB CCOC(=O)[C@]1(CC)C(=O)O[C@H](C(=O)NC2CCCCC2)[C@@H]1C 13465391 YGKNEFFMXHQDKE-PLQHRBFRSA-N 325.405 1.956 0 40 EDAB CC(C)(C)NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585649 WMYZPBFBZGITJJ-UHFFFAOYSA-N 342.442 1.802 0 40 EDAB O=c1cc([C@@H]2CCN(CC3=CCCOC3)C2)nc(-c2ccncc2)[nH]1 19405851 PCKVPFVRDRSSGP-MRXNPFEDSA-N 338.411 1.968 0 40 EDAB CCC(=O)N1CCCC[C@H]1c1nc(CN(C)C(C)=O)cc(N(C)C)n1 19709905 HRTSCVSIINNFPV-HNNXBMFYSA-N 347.463 1.985 0 40 EDAB CCCCNC(=O)[C@H]1CSCN1C(=O)Cc1c[nH]c2ncccc12 158162783 CPPKWYLNDBAONN-CQSZACIVSA-N 346.456 1.923 0 40 EDAB Cc1c(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)cnn1C 582038631 STRMIPDFQZTSNK-IUODEOHRSA-N 335.429 1.879 0 40 EDAB NC(=O)NC(=O)CSc1nnc(Nc2ccccc2F)s1 3572647 GVTVPMJXTIKMIJ-UHFFFAOYSA-N 327.366 1.708 0 40 EDAB O=C1CN(C2CCN(c3ncccn3)CC2)C(=O)N1CC(F)(F)F 1888844033 CNBAFPUEUYRWQA-UHFFFAOYSA-N 343.309 1.272 0 40 EDAB O=C(CN1C[C@H]2CCC[C@@]2(CO)C1)N1CCN(c2ccccc2)CC1 1888864395 DMVXSLRLHIYMLX-XLIONFOSSA-N 343.471 1.430 0 40 EDAB Cc1cncc(N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)n1 1889078132 NTDIUPANDPEPDO-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB COCCCNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 23304586 KSZOTFLAGMRPOU-UHFFFAOYSA-N 339.867 1.610 0 40 EDAB COc1cnccc1C(=O)N1CC[C@@]2(C1)Cn1ccnc1CN2C 1614939108 NQARSJXDWOJSNE-KRWDZBQOSA-N 327.388 1.017 0 40 EDAB CC(=O)N(C)Cc1nn(C(C)C)c2c1CN(C(=O)[C@H]1CCOC1)C2 1565555582 DMTAEIMCXKNSFB-ZDUSSCGKSA-N 334.420 1.321 0 40 EDAB Cc1nc(C)c(CN2CCO[C@@]3(CO[C@H](C(=O)N(C)C)C3)C2)s1 1565541775 XGFYRQHSDSYPAU-XJKSGUPXSA-N 339.461 1.208 0 40 EDAB CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cc(C)ccc1C 4107543 LMOOORKAAOCBSC-ZDUSSCGKSA-N 326.418 1.181 0 40 EDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4ncnc(C)c4C)C[C@H]3O2)n[nH]1 2055772414 GQJNUMSMRRUUFD-BFHYXJOUSA-N 342.403 1.512 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(Cc2nnc(C(F)(F)F)o2)CC1 2086865458 YLEHYHOBKWPNMA-SNVBAGLBSA-N 349.357 1.119 0 40 EDAB Cc1cccc(NC(=O)Cn2nc(-c3ccccn3)n(C)c2=O)c1C 206638925 AGMRPTKPSOPHDH-UHFFFAOYSA-N 337.383 1.899 0 40 EDAB C[C@@H]1CN(c2ncccn2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 503843648 BSDZCQCQZGBZEA-DDUZABMNSA-N 330.432 1.767 0 40 EDAB Cc1ccc(CNC(=O)C(=O)NCC[C@H](O)c2ccccc2)cc1 85436514 QZTKGTVHSRISCY-KRWDZBQOSA-N 326.396 1.851 0 40 EDAB C[C@@H]1CN(c2ccc(C(=O)N(C)Cc3cnn(C)c3)cn2)C[C@@H](C)O1 30038428 YEFYLFQVMGBLTA-ZIAGYGMSSA-N 343.431 1.701 0 40 EDAB Nc1nccnc1C(=O)NCc1cc(Br)ccc1F 40498912 GCIWPEKWUVZCOS-UHFFFAOYSA-N 325.141 1.890 0 40 EDAB O=C1CCc2cc(S(=O)(=O)NCCc3cccnc3)ccc2N1 40496172 KXNGBWUIYRGPBK-UHFFFAOYSA-N 331.397 1.487 0 40 EDAB O=C(Nc1cccnc1-n1cccn1)C1CCN(C(=O)C2CC2)CC1 31543164 XFBOFGXWIGSWBE-UHFFFAOYSA-N 339.399 1.854 0 40 EDAB CN1C(=O)Cc2cc(S(=O)(=O)N(CCO)c3ccccc3)ccc21 31647853 JZSHRKWWLRTUTO-UHFFFAOYSA-N 346.408 1.393 0 40 EDAB C[C@@H]1CN(c2ccc(NC(=O)C3=NN(C)C(=O)CC3)cn2)C[C@@H](C)O1 40553204 SHSBPFMQPUNTBC-VXGBXAGGSA-N 345.403 1.242 0 40 EDAB COc1cccc(CO[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 40523650 VBXVPNFNHJQTNH-TZMCWYRMSA-N 341.429 1.246 0 40 EDAB C[C@H](CNC(=O)C1=NN(C)C(=O)CC1)N1CCc2sccc2C1 40509585 RSHRISIRBBMSDK-LLVKDONJSA-N 334.445 1.219 0 40 EDAB CC(C)c1noc(CS(=O)(=O)[C@H](C)C(=O)NC2CCCC2)n1 40528698 QKZPCHPWOKFLKE-SNVBAGLBSA-N 329.422 1.555 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)n(C)n1 40504845 GLCDQTRWRYMSDO-UHFFFAOYSA-N 334.763 1.746 0 40 EDAB C[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)[C@@H]1CCCO1 32247515 CUSMTBJOMXFKJW-RNCFNFMXSA-N 330.388 1.436 0 40 EDAB CC1(C)CC(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC(C)(C)N1 102451228 FWQQKKNKBATDCC-OKILXGFUSA-N 349.475 1.587 0 40 EDAB CCOC(=O)N(C)CC(=O)NCc1ccc(C(=O)N(CC)CC)cc1 52777975 XYRGZVJCFWWENP-UHFFFAOYSA-N 349.431 1.873 0 40 EDAB O=C(O)c1cccc(OCCN2CCN(c3ncccn3)CC2)c1 11948828 LPJDZVQZVNXMLW-UHFFFAOYSA-N 328.372 1.376 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccn2)c1 387236 HMONNBOYMSDSBD-CQSZACIVSA-N 347.440 1.682 0 40 EDAB C[C@H](c1ccccc1Cl)N(C)CCS(=O)(=O)CCC(N)=O 53235390 JRQQVTULIQDINJ-LLVKDONJSA-N 332.853 1.623 0 40 EDAB NC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)C1 78986415 VKTVNIDHTLQJPT-CVEARBPZSA-N 348.422 1.449 0 40 EDAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCSCC1 71821004 FSBWAWGDADOVHL-UHFFFAOYSA-N 330.413 1.258 0 40 EDAB O=C(NCC[S@](=O)c1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 71896445 VHJUPQIQCKPYNV-HSZRJFAPSA-N 329.381 1.394 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3cccc(F)c3)N[C@](CC)(C(=O)OC)[C@@H]2C1=O 4410216 OFRUCNWWBRLFDL-NUXNZHGMSA-N 348.374 1.413 0 40 EDAB CCOC(=O)N1CCC(NS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 23018070 QVWAUCZJKMNIAV-CHWSQXEVSA-N 347.481 1.420 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1nc2c(s1)CCC2 23040871 TWBDTFAUUOWHTL-UHFFFAOYSA-N 342.380 1.274 0 40 EDAB COc1ccccc1NC(=O)C[C@@H](NCCCn1ccnc1)C(=O)O 8496185 WTPUFUSKDFKFBO-CQSZACIVSA-N 346.387 1.353 0 40 EDAB O=C([C@H]1C[C@@H]2CC[C@@H]1O2)N1CCN(Cc2nc3ccccc3[nH]2)CC1 102678398 NGPWISBIANQUGS-ZQIUZPCESA-N 340.427 1.775 0 40 EDAB CCc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cnn1-c1ccc(OC)nn1 24480034 LXWDRASAORGTBJ-TXEJJXNPSA-N 345.403 1.483 0 40 EDAB COc1ccc(-n2ccc(C(=O)N[C@H]3CCCCNC3=O)n2)cc1 55229981 YKWUXLITJKGZQL-AWEZNQCLSA-N 328.372 1.279 0 40 EDAB CC(C)C[C@H](CNS(=O)(=O)c1cccs1)N1CCOCC1 24925649 IVZDOZDOKPPVMR-CYBMUJFWSA-N 332.491 1.773 0 40 EDAB CC[C@@H]1CN(CCC(=O)N2CCc3ccccc32)CCN1C[C@H](C)O 106869314 SNCOEHLZUXRVLJ-FUHWJXTLSA-N 345.487 1.743 0 40 EDAB Cc1ccn(C(=O)c2ccc(=O)n(C)n2)/c(=N/C2CCCCC2)c1 26492238 YVQXUHVIHPDKFN-KNTRCKAVSA-N 326.400 1.812 0 40 EDAB CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C)c1 10029742 QOLWCGIXAKSYKD-SNVBAGLBSA-N 335.360 1.425 0 40 EDAB Cc1ccoc1C(=O)NC1CCN(C(=O)c2ccc[nH]c2=O)CC1 58278159 AZVLVNVCCQSODT-UHFFFAOYSA-N 329.356 1.311 0 40 EDAB Cc1ccc(-c2nc(C(=O)NCCS(N)(=O)=O)cs2)c(C)c1 58289668 CAEHYDXVVWULRA-UHFFFAOYSA-N 339.442 1.445 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(c2cccc(C(F)(F)F)n2)CC1 58268495 BRFWNXLXLCPOOD-LLVKDONJSA-N 342.365 1.890 0 40 EDAB NC(=O)Cn1ccc(NC(=O)Cc2cc(Cl)ccc2Cl)n1 58246148 FTTFWMMXIVSIRW-UHFFFAOYSA-N 327.171 1.856 0 40 EDAB COc1ccccc1CS(=O)(=O)[C@@H](C)C(=O)NC[C@@H]1CCCO1 44938499 PZNQTCHAXCJFJL-JSGCOSHPSA-N 341.429 1.294 0 40 EDAB CN(CC(=O)N(C)[C@@H]1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 44910048 QDXGSXJAQNDUIX-GDBMZVCRSA-N 336.457 1.251 0 40 EDAB CC[C@@H](CNC(=O)[C@@H](C)n1cncn1)N1CCc2ccccc2C1 44912144 PKIABLAVNFXLOJ-PBHICJAKSA-N 327.432 1.792 0 40 EDAB Cc1ccc(N[C@H]2SC(=O)N(CCN3C(=O)CCC3=O)C2=O)cc1 10386900 IYAXONNKBTXNMI-AWEZNQCLSA-N 347.396 1.577 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(c2ncccn2)CC1 27801659 NUQDEKMVENZDAQ-CZUORRHYSA-N 340.383 1.354 0 40 EDAB CC(=O)N(CCCNS(=O)(=O)c1cccc(F)c1F)C(C)C 58327386 OZYAUAKPTIKQTI-UHFFFAOYSA-N 334.388 1.890 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1nc2ccccc2s1 45031870 FMMUORNEKOAHIY-VIFPVBQESA-N 325.415 1.853 0 40 EDAB Cc1ccc(CC(=O)N2CCN(CCC(=O)NC3CC3)CC2)cc1 58406148 FBIVLJGQYQCQIA-UHFFFAOYSA-N 329.444 1.350 0 40 EDAB COCCNC(=O)CNC(=O)CCCOc1ccc(Cl)cc1C 8777214 SXPLOJQCOOSUQN-UHFFFAOYSA-N 342.823 1.686 0 40 EDAB C[C@H]1CCCN(Cc2csc(NC(=O)c3nccnc3N)n2)C1 10907466 JPWLYFGTEDYGJZ-JTQLQIEISA-N 332.433 2.000 0 40 EDAB COc1ccc(C(=O)OCC(=O)C(C)(C)C)cc1S(N)(=O)=O 11105698 GMWYAPUQQXBUDM-UHFFFAOYSA-N 329.374 1.115 0 40 EDAB Cc1sccc1C(=O)N1CCC2(CC(NS(C)(=O)=O)C2)C1 108528865 AIIABEQKNQSJJD-UHFFFAOYSA-N 328.459 1.600 0 40 EDAB CC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 102700436 WPBXZMFVXACLAM-GJZGRUSLSA-N 326.352 1.779 0 40 EDAB Cc1ccsc1C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 29188889 DGQHTPQFNLUAKE-TXEJJXNPSA-N 346.474 1.225 0 40 EDAB CCOc1ccc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 29207168 MMHVOEHOYBKBMW-ZDUSSCGKSA-N 326.418 1.239 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)CCc2c(C)noc2C)c2ccccc2O1 29767339 SKNJLKRGYYXCRO-MRXNPFEDSA-N 343.383 1.764 0 40 EDAB Cc1cccc2nc(CN3C(=O)NC4(CCCC4)C3=O)cc(=O)n12 29843627 ULZITZAMYHLKJZ-UHFFFAOYSA-N 326.356 1.368 0 40 EDAB O=S(=O)(c1cccnc1)N1CCN(CCOc2ccccc2)CC1 29818373 HGLPADFXYJLUFY-UHFFFAOYSA-N 347.440 1.467 0 40 EDAB Cc1nc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)sc1C 13022959 KCQZTGXNBPPUML-UHFFFAOYSA-N 330.369 1.402 0 40 EDAB CCCCN(CCO)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 70947875 CHQLTIDYLXFXGA-CQSZACIVSA-N 333.432 1.845 0 40 EDAB COc1ccc(OC)c(CN2CCN(Cc3nc(C)no3)CC2)c1 39551273 LIXKSARYLADMEH-UHFFFAOYSA-N 332.404 1.713 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)o1 65444486 OYWQOQSYIJVHCV-OLZOCXBDSA-N 343.449 1.762 0 40 EDAB COCCn1cc(NC(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)cn1 65437428 ZEBNAGQKZTYCCY-MELADBBJSA-N 339.440 1.149 0 40 EDAB Cn1nnnc1SCC(=O)NCc1ccc(Cl)cc1Cl 6452580 DILRSVHUHLIZCH-UHFFFAOYSA-N 332.216 1.925 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC(CC(N)=O)CC1)C2 65609222 AZUNGPZBFAPVTK-AWEZNQCLSA-N 332.400 1.360 0 40 EDAB CC(=O)N1C[C@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@H]2C1 306124602 BUBBPDAVVLOICN-STQMWFEESA-N 325.372 1.181 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1OC 14253068 ORPPLOJQJKCYHM-UHFFFAOYSA-N 343.401 1.231 0 40 EDAB CC(C)(C)c1ccc(C(=O)NC(=O)CSc2n[nH]c(N)n2)cc1 6503748 OBSPSWVMEFFMIP-UHFFFAOYSA-N 333.417 1.733 0 40 EDAB CN(C)C(=O)Cn1cc(NC(=O)[C@H]2COc3ccccc3C2)cn1 66384496 ZVHGDOCFWKLQCT-CYBMUJFWSA-N 328.372 1.161 0 40 EDAB O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1Cc1noc(C2CC2)n1 67096495 CWQIPQKIRNELMY-GOSISDBHSA-N 338.367 1.927 0 40 EDAB CCN1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1 67335779 BVBIWOVVRNMERE-UHFFFAOYSA-N 345.428 1.568 0 40 EDAB COc1cccc(N2C[C@H](C(=O)NCc3ccccn3)CC2=O)c1 7452106 ZQADHSXLLDFTRS-CYBMUJFWSA-N 325.368 1.760 0 40 EDAB COc1ccc(C(=O)NCC(C)(C)N2CCC(N(C)C)CC2)cn1 68500021 VBQHIUOTYASXEB-UHFFFAOYSA-N 334.464 1.625 0 40 EDAB CN(C[C@H]1CN(C[C@H](O)c2ccccc2)CCO1)c1cccnn1 83859244 RNAQDVLCBTXRHJ-IRXDYDNUSA-N 328.416 1.347 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccnc3)CCO2)n1 83829772 SLALVYYVMVRINB-MCIONIFRSA-N 327.388 1.466 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN[C@H](C)Cn1cccn1 69378018 AQVKHOVZHMAPAH-CQSZACIVSA-N 328.416 1.849 0 40 EDAB O=C1CC2(CCCCC2)C(=O)N1Cc1cc(=O)n2ccsc2n1 8325549 IBAQWSUXEFABHK-UHFFFAOYSA-N 331.397 1.965 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@@H]1CCCN(c3nccs3)C1)C2 69491270 VXRVVDOREBOVPB-GFCCVEGCSA-N 332.433 1.302 0 40 EDAB COc1ccc([C@@H]2C[C@H]2NC(=O)C(=O)Nc2cccnc2OC)cc1 69493694 OESIMIAJUVOCGB-DZGCQCFKSA-N 341.367 1.710 0 40 EDAB COc1cccc(S(=O)(=O)CCN2CCCN3CCC[C@@H]3C2)c1 69538117 IHHHGBRHHCVUQQ-OAHLLOKOSA-N 338.473 1.639 0 40 EDAB CCN(CCNC(=O)N1CCC(CN2CCOCC2)CC1)C(C)C 69570839 SISJMIJHVFQESV-UHFFFAOYSA-N 340.512 1.471 0 40 EDAB Cn1cnc2c1CCN(CC(=O)NCCc1c[nH]c3ccccc13)C2 69511407 ROTZRDREFNKFNV-UHFFFAOYSA-N 337.427 1.618 0 40 EDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 9547818 XNNZOYJCCGBPBD-KBPBESRZSA-N 342.461 1.959 0 40 EDAB Cc1cc(CNC(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)on1 69656806 BQHVWWXSHIYEBZ-CQSZACIVSA-N 346.406 1.949 0 40 EDAB CCN(CC)c1ccc(CNS(=O)(=O)CCCC(=O)OC)cn1 69670132 HNEHSSKOCRBWBQ-UHFFFAOYSA-N 343.449 1.300 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)CCc3ccncc3)CC2)n1 69625050 XVUDYHREYYGPEV-UHFFFAOYSA-N 341.415 1.552 0 40 EDAB O=C(NCCO)c1ccccc1NS(=O)(=O)c1cccc(F)c1 69664620 KIUGUAFMGAYRGL-UHFFFAOYSA-N 338.360 1.349 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N2CCOCC2)C1 69738881 GBURSSZAXIYICS-ZDUSSCGKSA-N 339.823 1.969 0 40 EDAB CCOC(=O)N1CCN(C(=O)Nc2cccc([S@@](C)=O)c2)CC1 69704381 CUFFJQCLGLLVIL-QHCPKHFHSA-N 339.417 1.730 0 40 EDAB O=C(NCCS(=O)(=O)N1CCSCC1)Nc1ccccc1 69743161 ZWLYCMZFASAFKW-UHFFFAOYSA-N 329.447 1.187 0 40 EDAB O=S(=O)(NCCc1ccccc1Br)N1CCCC1 69705569 IUXVKGQKTZPURP-UHFFFAOYSA-N 333.251 1.922 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)nn2)cc1 71903571 AMQHCZPDSVLCOQ-UHFFFAOYSA-N 325.777 1.927 0 40 EDAB CC[C@H](C)[C@@H](CO)Nc1ncnc2c1c(Br)nn2C 71920886 YZIATCNYQFSOQN-JGVFFNPUSA-N 328.214 1.945 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN([C@H](C(N)=O)c3ccc(F)cc3)C2)n1 69845929 VEAXDIGCTKMNLB-YOEHRIQHSA-N 345.422 1.973 0 40 EDAB Cc1ccc(N2CCC[C@H](N[C@H](C(N)=O)c3ccccc3)C2)nn1 69846995 BFVMVDFEPQJYIV-RDJZCZTQSA-N 325.416 1.570 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@H]2Cn2cccn2)CN1CC(F)(F)F 69924061 GEJNKJFYMDECKS-NEPJUHHUSA-N 344.337 1.285 0 40 EDAB CCOC(=O)/C=C1/SCC(=O)N1CCOC(=O)c1ccccc1 96889640 XHPQULIOJKTWSR-GXDHUFHOSA-N 335.381 1.823 0 40 EDAB C[C@H](CO)NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 97204312 GAWSCHPZIOCSOI-GFCCVEGCSA-N 328.347 1.913 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)s1 97012827 BGNOPSRXSYGPMS-GFCCVEGCSA-N 327.431 1.552 0 40 EDAB Cc1csc([C@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)n1 72298954 RHVZWAQKDAPDAT-QWRGUYRKSA-N 336.417 1.146 0 40 EDAB CCn1ccnc1CN1CCN(Cc2nc(CCOC)no2)C[C@@H]1C 72279625 XKJHHYBXIZLSFE-AWEZNQCLSA-N 348.451 1.181 0 40 EDAB C[C@@H](C(=O)NCc1ccco1)N1CCC(N2CCN(C)C2=O)CC1 72267484 OFSDBOWZVPOMLI-ZDUSSCGKSA-N 334.420 1.116 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Nc1cnn(Cc2ccc(Cl)cc2)c1 97140116 WGHDRRCJYOWZEX-SNVBAGLBSA-N 335.795 1.841 0 40 EDAB CN(C)[C@H](CNc1ncnc2c1cnn2CCO)c1cccs1 97199660 KWZGYGLQDJNKCA-GFCCVEGCSA-N 332.433 1.595 0 40 EDAB O=C1CN(C(=O)NCc2ccc3c(c2)OCO3)[C@H]2CCCC[C@H]2N1 84459163 BKOQRYQGHURXNB-OLZOCXBDSA-N 331.372 1.368 0 40 EDAB CC(C)(C)[C@H](COc1ccccc1F)NC(=O)CNS(C)(=O)=O 95395728 VQKGTGFUFRZGMM-ZDUSSCGKSA-N 346.424 1.285 0 40 EDAB CCN(C[C@H]1CN(Cc2ccn(C(C)C)n2)CCO1)c1cccnn1 84774666 AVEZLEHDEXUSNW-QGZVFWFLSA-N 344.463 1.981 0 40 EDAB NC(=O)Nc1cccc(C(=O)N2c3ccccc3CS2(=O)=O)c1 95467909 BLPCUFTYLQVQCI-UHFFFAOYSA-N 331.353 1.667 0 40 EDAB C[C@H](C(=O)NCC(F)(F)F)N1CCN(Cc2cccc(O)c2)CC1 95432173 LUHQJQBUFXUACJ-GFCCVEGCSA-N 345.365 1.577 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN2CCOC[C@@H]2C)cc1Cl 95948166 ZIDZYSOYROHMDU-LBPRGKRZSA-N 332.853 1.647 0 40 EDAB CN1CC[C@H](N(C)C(=O)c2cccnc2OCC(F)(F)F)C1=O 75143077 OMAYRWKVRGZDBY-JTQLQIEISA-N 331.294 1.325 0 40 EDAB Cc1nnc(CN(C)[C@@H]2CCN(Cc3nnc(C4CCC4)o3)C2)n1C 89736069 DZHDBJMZGHWYES-CQSZACIVSA-N 345.451 1.480 0 40 EDAB Cc1cc(C(N)=O)c(NC(=O)c2ccc(-n3ccnn3)cc2)s1 89810523 HMBLITOAGLZYMN-UHFFFAOYSA-N 327.369 1.988 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)Cn2ncc3ccccc3c2=O)C12CCC2 89985721 JADVKEYQFZYGQO-CVEARBPZSA-N 341.411 1.860 0 40 EDAB CCOCCOC(=O)[C@@H](NS(=O)(=O)c1ccccc1)C(C)C 75568002 ZGEILOQJCSJRDW-AWEZNQCLSA-N 329.418 1.569 0 40 EDAB CCc1cnc(CCNC(=O)N2CCS(=O)(=O)C[C@@H]2C)s1 75811139 CRJYMDMOVFKSTR-JTQLQIEISA-N 331.463 1.077 0 40 EDAB O=C(O)[C@H]1CS[C@H](Cc2ccc(Br)cc2)C(=O)N1 62712061 BQFYRTNWDVLDCU-NXEZZACHSA-N 330.203 1.676 0 40 EDAB Cc1nc(CN2CCC[C@@]3(CNC[C@@H]3c3ccnn3C)C2=O)cs1 306134753 NXJYWPIRFHDPSD-PBHICJAKSA-N 345.472 1.681 0 40 EDAB C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ncc2c(F)cccn12 529366911 QFWOHEYBNGOFOR-QWHCGFSZSA-N 332.379 1.409 0 40 EDAB COc1cccc([C@H](CC(=O)O)NC(=O)c2cnn3cccnc23)c1 532256482 MIAPTOSBSFNQDG-AWEZNQCLSA-N 340.339 1.684 0 40 EDAB COCC(=O)N1CCC[C@@H]1c1cc(Nc2ncccn2)nc(C)n1 72360280 DGOXKCPMHVAFBY-CYBMUJFWSA-N 328.376 1.629 0 40 EDAB Cc1nc(N)cc([C@H]2CN(C(=O)CCc3ccccc3)CCO2)n1 72387862 RKGJJNPEUYSQHD-MRXNPFEDSA-N 326.400 1.900 0 40 EDAB C[C@H](N)C(=O)N(C1CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79393190 QIUUAXIZZLEWAW-BBRMVZONSA-N 331.416 1.736 0 40 EDAB OCC(CO)N1CCC[C@@H](Cc2ccnc(Nc3ccccn3)c2)C1 72363684 JSYBVYALOBBLNO-INIZCTEOSA-N 342.443 1.828 0 40 EDAB COc1ccc(S(=O)(=O)NCCSc2nc(C)n[nH]2)cc1 222989515 XLGWCDPLPJFFIV-UHFFFAOYSA-N 328.419 1.192 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NCCSC(C)(C)C)s1 223192786 FHBPKSPNZPZSRO-UHFFFAOYSA-N 338.480 1.307 0 40 EDAB OCCNc1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1 44928568 ZPDZAZRNRJAZIC-UHFFFAOYSA-N 340.387 1.056 0 40 EDAB COCCCNC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 225109770 VKPGSGPXMOUBMQ-UHFFFAOYSA-N 346.474 1.182 0 40 EDAB CSCC[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1)C(=O)O 41155373 OXEYMGPDKLGFCS-CYBMUJFWSA-N 338.429 1.437 0 40 EDAB CCC(CO)(CO)NC[C@@H](O)COc1ccc(C(C)(C)C)cc1C 40162340 AAQAFNPESQACTR-MRXNPFEDSA-N 339.476 1.755 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 83204722 HORRYLYPQNPMQM-BFHYXJOUSA-N 335.452 1.297 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1F 225694421 NYPMRUGIEPBJDX-UHFFFAOYSA-N 326.353 1.062 0 40 EDAB CN(C)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCS2)cc1 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1615578526 UOVLJMMLPPSOCQ-LLVKDONJSA-N 337.376 1.508 0 40 EDAB CC(C)CCC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCOCC2)C1 575402883 DGVWGNLEFKVBOC-OAHLLOKOSA-N 334.420 1.061 0 40 EDAB COc1nc(CNC(=O)Nc2cc(C)ccc2OC)nc(N(C)C)n1 575604185 UEGSHJXSEALMIC-UHFFFAOYSA-N 346.391 1.585 0 40 EDAB C[C@@H]1CCCN(C(=O)c2nc3c(o2)CCN(C(=O)[C@H]2CCCO2)C3)C1 585112297 OFFASGIFMNLMNQ-IUODEOHRSA-N 347.415 1.610 0 40 EDAB C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)[C@H]1C[C@H]1C 585097103 FTERPQORKMKVTQ-IPYPFGDCSA-N 328.416 1.383 0 40 EDAB O=C(CN1CCCC1)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 585276736 HYVBDQMXDUOCOE-SFHVURJKSA-N 336.407 1.054 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)Cc2ccccn2)CCO1 585276760 IMJXUEKDIYOSHO-HXUWFJFHSA-N 340.423 1.765 0 40 EDAB CCCN1C[C@@H]2[C@H](C1)C(=O)NC21CCN(c2nc(C)cc(C)n2)CC1 585105992 ANXWHWICUBMNMB-JKSUJKDBSA-N 343.475 1.520 0 40 EDAB CO[C@H]1[C@H](C(=O)NCCc2ccccc2C)CC[C@H]1N(C)C(C)=O 585280965 QWOAFDXZJDJXQI-KURKYZTESA-N 332.444 1.926 0 40 EDAB Cc1ccc(OC[C@@]2(O)COCCN(Cc3c[nH]nc3C)C2)cc1 585275238 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EDAB CC[C@H](CCO)CNC(=O)COc1cccc(NC(=O)C2CC2)c1 79074301 DNPFJKDMZGDQJU-CYBMUJFWSA-N 334.416 1.939 0 40 EDAB COCCN1CCCN(C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)CC1 79289757 UDXCUOLUZJCJRU-CYBMUJFWSA-N 342.386 1.913 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N2CCC(c3ccccc3)=N2)no1 40528916 RBRXLKOAIKWMMA-UHFFFAOYSA-N 347.396 1.534 0 40 EDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N1CCCCCC1 5871190 NHLLWLPDYJWVAL-UHFFFAOYSA-N 343.383 1.380 0 40 EDAB COc1cccc(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)c1 12146654 UYPWBRQWTFUNRM-UHFFFAOYSA-N 340.339 1.733 0 40 EDAB CCC[C@@H](C)NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 12522375 QHXYNBBKNYPKTO-LLVKDONJSA-N 325.434 1.001 0 40 EDAB Cc1cc2c(cc1C(=O)c1ccco1)N(CC(N)=O)C(=O)C(C)(C)O2 13226759 VDFRPSZNKIWFOL-UHFFFAOYSA-N 342.351 1.808 0 40 EDAB COCCCNC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 16267450 SOAJPVKNOHQOIO-UHFFFAOYSA-N 342.461 1.385 0 40 EDAB CCC(=O)N1CC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 19498497 OCYHBFHHXRSWHL-ZDUSSCGKSA-N 329.404 1.293 0 40 EDAB COCC(=O)NCC[C@H]1CCCCN1C(=O)Cc1csc(C)n1 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1.548 0 40 EDAB CCOc1ccc(OCC(=O)N2CCC(c3nncn3C)CC2)cc1 30653111 WFAPMBQYKJIDSV-UHFFFAOYSA-N 344.415 1.999 0 40 EDAB CCOc1ccc(OC[C@@H](O)Cn2c(C)cc(=O)n3ncnc23)cc1 40498023 WGOGGSJZBUBGPE-ZDUSSCGKSA-N 344.371 1.038 0 40 EDAB CCOc1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1OCC 40497128 WNPMRCDRALPCMN-LBPRGKRZSA-N 341.429 1.649 0 40 EDAB CCCCn1nnnc1CN1CCN(C(=O)c2ccccc2F)CC1 40494075 NZZOAYDAFKJOPX-UHFFFAOYSA-N 346.410 1.570 0 40 EDAB COc1ccccc1CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 31486136 FUTRSCDRTWHVEB-UHFFFAOYSA-N 338.360 1.412 0 40 EDAB C[C@H](C(N)=O)S(=O)(=O)Cc1coc(-c2ccc(Cl)cc2)n1 40528660 PPGQUQPCXYGKRA-MRVPVSSYSA-N 328.777 1.784 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)C1 41130093 LYALUYAPSNMUMX-JTQLQIEISA-N 337.217 1.815 0 40 EDAB COc1ccnc(NCc2ccc(N3CCC(CO)CC3)nc2)n1 52446897 RRXJNUOWENMPPR-UHFFFAOYSA-N 329.404 1.701 0 40 EDAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1cnn(CC(N)=O)c1 32931805 FJRXBRJFJWFXET-GFCCVEGCSA-N 330.388 1.899 0 40 EDAB CC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)OCc2ccccc2)[C@@H]3C1=O 541828 YYCUEGFWOZNMGC-GGXPGOJBSA-N 327.380 1.920 0 40 EDAB CCN(C)C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 60616800 CGLWGMVWXCBZRZ-UHFFFAOYSA-N 334.235 1.842 0 40 EDAB CC(C)n1c([C@@H]2CCCN(CC(=O)NC(N)=O)C2)nc2ccccc21 69738141 LTDGRUKWLGZISM-CYBMUJFWSA-N 343.431 1.992 0 40 EDAB Cc1cnn([C@H](C)[C@@H](C)NCC2=NS(=O)(=O)c3ccccc3N2)c1 69737423 WSVFBJRGTIEPEJ-CHWSQXEVSA-N 347.444 1.944 0 40 EDAB O=C(O)[C@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)c2ccccc21 78002116 ZLJVCVLMAAKRAE-LBPRGKRZSA-N 343.364 1.940 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(Cc3nnsc3Cl)CCO2)n1 78893222 YLMIGPZDYFPSJH-VIFPVBQESA-N 328.829 1.836 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)N[C@@H](c3nccs3)C3CC3)C2)cn1 78942187 SDDTZPLXUNBELP-TZMCWYRMSA-N 346.460 1.906 0 40 EDAB COc1ccc(-c2nc3ccccc3c(=O)n2NC(N)=O)cc1OC 3107334 LXVUVOQPHOQTGA-UHFFFAOYSA-N 340.339 1.703 0 40 EDAB C[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NC1CC1 22225125 NADUWMRJITXZRK-SECBINFHSA-N 329.447 1.091 0 40 EDAB COC(=O)c1ccc2c(=O)[nH]c(CSC(=S)N(C)C)nc2c1 4251709 GXTFKTKYTQCCIB-UHFFFAOYSA-N 337.426 1.789 0 40 EDAB CCc1ccccc1OCC(=O)NC1CCN([C@@H]2CCOC2)CC1 83827777 NUEPXWNLGHTIJO-QGZVFWFLSA-N 332.444 1.997 0 40 EDAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1nc2nc(C)cc(C)n2n1 103501693 YROSOFPUEADKOQ-CQSZACIVSA-N 348.366 1.963 0 40 EDAB CN(C)[C@H](CNC(=O)Cn1nc2ccccn2c1=O)C1CCCCC1 46948901 UBFJCUQJXDUVIP-OAHLLOKOSA-N 345.447 1.123 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 83829916 KVTMMKNYJSJUHG-ZDUSSCGKSA-N 334.351 1.485 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C3CC3)CC2=O)cc1OC 23056422 GUQAXYDSVRZVRR-AAEUAGOBSA-N 332.400 1.971 0 40 EDAB Cc1noc(COC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)n1 23382558 SFMMOUBZRDDZCU-CQSZACIVSA-N 329.356 1.512 0 40 EDAB NC(=O)N[C@@H](CC(=O)NC[C@@H]1Cc2ccccc2O1)c1cccs1 47687515 WRBCHKGEKFYOJN-STQMWFEESA-N 345.424 1.968 0 40 EDAB O=C(N[C@]1(C(=O)O)CCSC1)c1ccc(Br)cn1 61860662 AEYJYJJRMNPBET-LLVKDONJSA-N 331.191 1.534 0 40 EDAB O=C1NCCN1C1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1 55059220 MDRVRDNXJGAVRA-UHFFFAOYSA-N 346.475 1.925 0 40 EDAB CCCNC(=O)NC(=O)CSc1nc(-c2ccccc2)cn1N 12539495 HTOCRUCPDBFAPS-UHFFFAOYSA-N 333.417 1.592 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CCN(c2ncccn2)CC1 12547816 LTMMDSZCOXGFPL-UHFFFAOYSA-N 336.399 1.634 0 40 EDAB CCOC(=O)N1CCN(CC(=O)Nc2ccc(F)c(F)c2F)CC1 34800940 ZVWJNZRABBPRKY-UHFFFAOYSA-N 345.321 1.817 0 40 EDAB Cc1[nH]c(C(=O)NCCN2CCOCC2)c(C)c1C(=O)OC(C)C 25707354 MAWLZXMMBLYXTO-UHFFFAOYSA-N 337.420 1.259 0 40 EDAB C[C@@H](NC(=O)[C@H](c1ccccc1)N1CCCC1)C(=O)N1CCOCC1 69844293 BSUFXVXTACSNMX-WBVHZDCISA-N 345.443 1.187 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)Cn1c(C2CC2)nc2ccccc21 69844944 MICGRLKVCQAVFZ-LBPRGKRZSA-N 349.456 1.805 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)N1CCN(c2ccccn2)CC1 44597695 JLQJDXWFUYWJAF-UHFFFAOYSA-N 349.394 1.140 0 40 EDAB COC(=O)[C@@H]1[C@@H]2C(=O)N([C@@H](C)c3ccc(OC)cc3)C[C@@]23C=C[C@H]1O3 100634888 NNCKSAGIHJUGAY-NOJZPKSCSA-N 343.379 1.711 0 40 EDAB O=C(NC1CCN(Cc2nnnn2C2CC2)CC1)c1ccc(F)cc1 27446768 AXQNQHCXJCKTAO-UHFFFAOYSA-N 344.394 1.542 0 40 EDAB COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 58159375 MJJIYJCHAXKUAK-NXEZZACHSA-N 331.365 1.410 0 40 EDAB O=C(NC[C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 44890972 QPZXYEJPUYVBBH-HNNXBMFYSA-N 347.415 1.422 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 44890422 GDWUYPZCQFTGIL-UHFFFAOYSA-N 330.363 1.706 0 40 EDAB Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccncc3)CC2)no1 58218895 ZCAGTQFVFZTBEO-UHFFFAOYSA-N 329.360 1.804 0 40 EDAB Cc1cc(CN(C)C[C@H](O)COCc2ccc3c(c2)OCO3)no1 44975278 RQWBEAKGQSLXCJ-HNNXBMFYSA-N 334.372 1.721 0 40 EDAB CCN(CCO)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 44968623 QLVWJZGCGVVJIE-KBPBESRZSA-N 336.436 1.219 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cnc3ccccc3c2)C1=O 48235174 PIMGINFVFMYTNW-SFHVURJKSA-N 338.367 1.894 0 40 EDAB CCOCCO[C@H](C)C(=O)N(C)C1CCN(Cc2ccncc2)CC1 58378926 VRMACGIFYWQSIH-MRXNPFEDSA-N 349.475 1.946 0 40 EDAB CN1CC[C@H](C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1=O 45056154 FXPBXYMTEDJGAV-INIZCTEOSA-N 326.400 1.416 0 40 EDAB CCc1ccc(OCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 10661155 CBUJUJRLFBMMBV-UHFFFAOYSA-N 340.445 1.168 0 40 EDAB CCN1CCN(C[C@@H](C)CNC(=O)COc2cccc(C)c2)CC1 69900596 NIHXWFZTRJFMLB-KRWDZBQOSA-N 333.476 1.764 0 40 EDAB NC(=O)CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 12760518 JBKYNCVMNQULQU-UHFFFAOYSA-N 331.203 1.628 0 40 EDAB CCCn1nnnc1CSc1ccc(-n2nc(C)cc2C)nn1 11141584 NHLXLDBUYRNWSA-UHFFFAOYSA-N 330.421 1.968 0 40 EDAB Cc1ccc(OCCN(C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 45654806 CTZIIUPAVBDWEB-AWEZNQCLSA-N 340.445 1.450 0 40 EDAB O=C(NCc1ccco1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29460165 CFALMHXHCRBWIC-HUUCEWRRSA-N 348.399 1.878 0 40 EDAB O=C(NCCCn1cncn1)N1CCC([C@H](O)c2ccccc2)CC1 48341324 SMNSOEMPFKHLDM-QGZVFWFLSA-N 343.431 1.823 0 40 EDAB CC(=O)NCC1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1 48352792 KKIDLXIXJRJPDI-UHFFFAOYSA-N 329.400 1.560 0 40 EDAB CCOC(=O)C1=C(COC(=O)CCOc2ccccc2)NC(=O)NC1 12879898 XSELCJQVBGEGSY-UHFFFAOYSA-N 348.355 1.129 0 40 EDAB CN(C(=O)NCc1ncn(C)n1)[C@H]1CCCN(Cc2ccccc2)C1 92376910 IEMWHECSEFZOPE-INIZCTEOSA-N 342.447 1.621 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H](C)C(=O)N1CCCC1 63866032 ZKEULYQIRQJFHV-LBPRGKRZSA-N 327.384 1.786 0 40 EDAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(N(C)C)nc1 71847428 JSUWAEKCHXZEGD-OAHLLOKOSA-N 325.368 1.892 0 40 EDAB O=C(O)CNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1 5067952 UPTUCBJLZVOUIH-NOCYUORASA-N 340.335 1.651 0 40 EDAB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1C 9054510 OQSUKJQLQCZSEK-GFCCVEGCSA-N 335.433 1.782 0 40 EDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1 71283320 VAUSJLINPGNTHL-NEPJUHHUSA-N 349.339 1.555 0 40 EDAB CCn1nnc(-c2ccc(O)c(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)c2)n1 71285292 LOCAWIURYRSOES-VXGBXAGGSA-N 345.359 1.361 0 40 EDAB C[C@H](NC(=O)CNC[C@@H]1CCCN1c1cccnn1)c1ccccc1 71859844 ASIRMQAVKVQNMD-RDJZCZTQSA-N 339.443 1.912 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCSc2ccccc21 9155346 GOIUQOQQYXHNHW-UHFFFAOYSA-N 345.424 1.990 0 40 EDAB CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H](C)Cn1cccn1 65491698 MSIPNXRMFZCRMK-HNNXBMFYSA-N 346.479 1.755 0 40 EDAB COCCCN(C(=O)Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 65539475 XVNUHBVEQBCUHG-AWEZNQCLSA-N 343.420 1.420 0 40 EDAB O[C@@H](COCc1ccccc1)CN1CCN(c2nccs2)CC1 66349749 QTXMXGODXQGOHN-MRXNPFEDSA-N 333.457 1.843 0 40 EDAB O=C(CC1CCCCC1)NC1CCN(CCN2CCOC2=O)CC1 66885769 LZGRHUBVGVGUQI-UHFFFAOYSA-N 337.464 1.990 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)COCc1nc2ccccc2s1 71829762 WVTPAQURWRXTPF-RYUDHWBXSA-N 347.440 1.925 0 40 EDAB COCCCNC(=O)CN1C(=O)c2ccccc2Oc2ncccc21 96118864 HRBXDXDKWJHGSA-UHFFFAOYSA-N 341.367 1.987 0 40 EDAB CCn1c(SCC(=O)NC2CCCC2)nnc1-c1nonc1N 4939831 IGTSWNIMWOVOSZ-UHFFFAOYSA-N 337.409 1.081 0 40 EDAB CC(C)Cn1c(CN2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C 5999250 LSTRCTXBFMQDMH-ZDUSSCGKSA-N 347.463 1.464 0 40 EDAB O=C(CNC(=O)c1ccccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 15567678 ADIKOQCXEHJFKC-UHFFFAOYSA-N 344.758 1.878 0 40 EDAB COCCn1c(S[C@@H](C)C(=O)N2CCNC2=O)nc2ccccc21 9319426 MGYSAYQGQYJGNE-NSHDSACASA-N 348.428 1.715 0 40 EDAB CO[C@@H](CNC(=O)N1CCNC(=O)[C@H]1C)c1ccc(Cl)cc1 80439766 GRTNXQKNCMFWHF-MFKMUULPSA-N 325.796 1.557 0 40 EDAB C[C@@]1(NC(=O)Cc2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 7473282 IWBKCMOJUUIPML-CYBMUJFWSA-N 335.347 1.941 0 40 EDAB O=S(=O)(CCN1CCN(c2ccccc2O)CC1)c1ccccc1 16481274 ZNLKQHMNTGEVRN-UHFFFAOYSA-N 346.452 1.988 0 40 EDAB COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 16641105 WNAAJRGFHTUELJ-LLVKDONJSA-N 346.474 1.300 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2cccc(C)c2)C1=O 408548037 CEWBHSMWIBMGIT-XNTDXEJSSA-N 339.351 1.851 0 40 EDAB Cc1ccc(-c2nnc(SCC(=O)NCC(F)(F)F)n2N)cc1 8283356 JRDORKQRCFDEJD-UHFFFAOYSA-N 345.350 1.738 0 40 EDAB C[C@H](NC(=O)c1ccccc1N1CCOCC1)C(=O)N1CCCC1 70008735 KIMGDHQKHWOIPS-AWEZNQCLSA-N 331.416 1.264 0 40 EDAB Cc1cnn(CCNCC(=O)NCCc2c[nH]c3ccccc23)c1 70004966 BAJYTRLIFSTHBI-UHFFFAOYSA-N 325.416 1.621 0 40 EDAB O=C(c1ccc(N2CCCC2)nn1)N1CCC[C@@H](n2cccn2)C1 69349445 NVASYDSJDGOUJM-CQSZACIVSA-N 326.404 1.751 0 40 EDAB NC(=O)[C@@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1ccccc1 71794116 YIDRUMFINQYYGE-INIZCTEOSA-N 335.367 1.283 0 40 EDAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1nc2ncccn2n1 71795799 RUWZTEJYNSPKEA-UHFFFAOYSA-N 333.355 1.881 0 40 EDAB COC(=O)c1cccn1C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 69588551 MUGUUNYCUKECTC-UHFFFAOYSA-N 329.356 1.440 0 40 EDAB COCCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1cccc2c1OCCO2 69567464 KBWIMMOKZHZBFW-BBRMVZONSA-N 349.383 1.859 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCCCOc1ccc3c(c1)OCO3)CC2 69667834 MNCWHFBTBDDXSD-ZDUSSCGKSA-N 344.415 1.943 0 40 EDAB CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCC2)cc1 67896312 XBFDRMHTEDVLIU-NVXWUHKLSA-N 332.400 1.706 0 40 EDAB biogenic,in-vitro C[C@@H](CCc1ccco1)NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 9751957 TXJVKRZUGZUTIB-LBPRGKRZSA-N 341.367 1.420 0 40 EDAB O=C(CC(=O)Nc1ccccc1-n1ccnc1)NCC(F)(F)F 97235700 BRACREPBTGSKJS-UHFFFAOYSA-N 326.278 1.879 0 40 EDAB Cc1cnn(CC(=O)N[C@H](C)c2ccc(-n3c(C)c[nH]c3=O)cc2)c1 84068178 MVLJZXCIIPJMOT-CQSZACIVSA-N 339.399 1.856 0 40 EDAB O=C1[C@@H]2CCCN2C(=O)N1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 97083771 SZVMZZHALCJTIV-ZDUSSCGKSA-N 349.753 1.986 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(-n3cncn3)c(C)c2)C1 97051855 FUACBKPWQCVXLQ-OAHLLOKOSA-N 349.460 1.089 0 40 EDAB CCn1cc(C(=O)NCCCNC(C)=O)c(=O)c2cc(Cl)ccc21 97046532 YBUPTAAMCDDLRO-UHFFFAOYSA-N 349.818 1.931 0 40 EDAB O=S(=O)(CC1CCOCC1)N1CC[C@@H](Oc2cccnc2)C1 97015767 BMSMCVOBYULSSN-OAHLLOKOSA-N 326.418 1.291 0 40 EDAB Cc1cnn(C2CN(CC(=O)N(C)CCCOc3ccccc3)C2)c1 72253876 RMKICPVRZAOQOK-UHFFFAOYSA-N 342.443 1.976 0 40 EDAB CC(C)[C@@H](NC(=O)CN(Cc1cccnc1)c1ccccc1)C(N)=O 72287899 DJQIZMNSKYDISQ-GOSISDBHSA-N 340.427 1.714 0 40 EDAB Cn1ccnc(NC(=O)NCc2cc(-c3ccccc3)on2)c1=O 97113815 YAPABUWRZZAKSV-UHFFFAOYSA-N 325.328 1.757 0 40 EDAB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1nc(C(=O)O)n[nH]1 95471076 QXXXDTGNIPDJIF-KPKJPENVSA-N 340.343 1.838 0 40 EDAB Cc1nc(N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)sc1C 95436005 GKTICHOPKPLVGR-UHFFFAOYSA-N 341.462 1.004 0 40 EDAB CCn1nnnc1-c1cccc(NC(=O)CSc2nc(C)n[nH]2)c1 73860051 XUIOKBBLQKWHAP-UHFFFAOYSA-N 344.404 1.517 0 40 EDAB CN(CC(=O)NC[C@]1(O)CCCc2ccccc21)[C@@H]1CCSC1 95978648 AYYBENRATIDSFJ-CRAIPNDOSA-N 334.485 1.764 0 40 EDAB Cc1ccc([C@H](CNC(=O)c2nc(C)c(C)[nH]c2=O)N(C)C)cc1 95975798 KMUCIXLTUZWPBZ-HNNXBMFYSA-N 328.416 1.728 0 40 EDAB CCCOC(=O)c1ccc(S(=O)(=O)Nc2nonc2C)cc1 95945406 VXFJWJSNFNWDLG-UHFFFAOYSA-N 325.346 1.746 0 40 EDAB Cn1ccnc1CN1CC[C@@H]2OCCN(Cc3cccnc3)[C@@H]2CC1 306125993 DIORRPHVVRVPHY-MSOLQXFVSA-N 341.459 1.681 0 40 EDAB Cc1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Br 95946483 ZKVOEDPBGTXLCZ-SKDRFNHKSA-N 344.230 1.907 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H]1c2ccccc2C[C@H]1O 74675549 LMPOMCMMYSJZBT-PDSMFRHLSA-N 342.443 1.925 0 40 EDAB CCn1c(CN2C[C@@H](C(=O)OC)O[C@H](C)C2)nc2cc(F)ccc21 89302610 OYKFQQUUYMVLRD-ABAIWWIYSA-N 335.379 1.958 0 40 EDAB CN(C(=O)NCCCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 89335165 NWPBJOMMGZPQHZ-CQSZACIVSA-N 340.445 1.674 0 40 EDAB CCOCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 9951697 FCOWVKPQTPCNKZ-UHFFFAOYSA-N 328.434 1.402 0 40 EDAB COCCC(=O)N1CCC(NC(=O)c2cccc3cc[nH]c23)CC1 89409990 ORYQCBCOMLVMAC-UHFFFAOYSA-N 329.400 1.925 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)C2(CO)CO)cc1 218049973 SDWLCSRWQZRCCY-IRXDYDNUSA-N 332.421 1.906 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C1(CN)CN 218203621 ABGLCWRBJCVMQR-NWDGAFQWSA-N 347.278 1.253 0 40 EDAB C[C@H]1CN2CCC[C@H]2CN1Cc1ccnc(N2CCSCC2)n1 72324590 YLYPAVACJISXTG-HOCLYGCPSA-N 333.505 1.698 0 40 EDAB CCOc1cccc(CNC(=O)Cc2nnc(-c3cnccn3)o2)c1 62007307 GAZCHRAUSKIYEG-UHFFFAOYSA-N 339.355 1.784 0 40 EDAB CC(=O)N(CCC(=O)N1CCNC(=O)C1(C)C)Cc1ccccc1 78911065 JYNYNNZRVQJZBD-UHFFFAOYSA-N 331.416 1.162 0 40 EDAB COc1cccc(OC)c1C(=O)NC[C@]1(OCCO)CCSC1 1565522285 FSHGQOZWHFENHE-MRXNPFEDSA-N 341.429 1.318 0 40 EDAB NC(=O)CCc1cccc(C2CCN(C(=O)c3ccccn3)CC2)n1 72360491 ZMDKWDZZKWYTAZ-UHFFFAOYSA-N 338.411 1.914 0 40 EDAB CCn1cnc2c(NC[C@@H]3CS(=O)(=O)c4ccccc43)ncnc21 560213720 SWXAEFXCPBEBBN-LLVKDONJSA-N 343.412 1.829 0 40 EDAB Cc1cccnc1Nc1cc(C[C@@H]2CCCN(CC(N)=O)C2)ncn1 72383607 BIGYDAKWFGSBRM-AWEZNQCLSA-N 340.431 1.663 0 40 EDAB COCCn1cc(C(=O)NCc2ccccn2)c2ccccc2c1=O 72401244 SSFJFQYBEMFEGF-UHFFFAOYSA-N 337.379 1.973 0 40 EDAB CC1(C)NC(=O)N(CCN2CCC[C@@H]2COc2ccccc2)C1=O 79090797 PSURMIYGCLRFJL-CQSZACIVSA-N 331.416 1.860 0 40 EDAB Cc1noc(C2CCN(C(=O)NCCN3CCC[C@@H](C)C3)CC2)n1 61863778 MXRLYBZJOJAQIU-CYBMUJFWSA-N 335.452 1.999 0 40 EDAB CN1CCC[C@H](N2CCN(c3nc4ccccc4cc3CO)CC2)C1 77979556 FIIOUKUOPPPUNH-SFHVURJKSA-N 340.471 1.943 0 40 EDAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CCN(C)S3(=O)=O)cc1Cl 225953347 BGKVHZLJNMQHHL-LKFCYVNXSA-N 344.820 1.711 0 40 EDAB CCCCNc1cc(N2CCC(N3CCCC3=O)CC2)nc(N)n1 225540217 IBXKCHAYBAYXIH-UHFFFAOYSA-N 332.452 1.862 0 40 EDAB COCCNC(=O)[C@H](C)n1nc(-c2ccc(OC)cc2)ccc1=O 49058716 ZKCQVPWPWPXOCM-LBPRGKRZSA-N 331.372 1.243 0 40 EDAB COc1cccc(N2C[C@H](C(=O)NCCN3CCCCC3)CC2=O)c1 46854644 ZHSBXJYOLXHYNP-OAHLLOKOSA-N 345.443 1.650 0 40 EDAB CCc1ncnc(N2CC[C@H](Nc3ccc4nccn4n3)C2)c1F 573877946 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340.383 1.177 0 40 EDAB O=C(CN1C[C@H](n2cccn2)Cc2ccccc21)N1CCNC1=O 96443521 WSMZCHDWCLHJTE-CQSZACIVSA-N 325.372 1.039 0 40 EDAB O=C(c1ccc[nH]1)N1CCC[C@]2(C[C@@H](Oc3ncccn3)CO2)C1 96073682 LBUFQLAQLSOVKP-DYVFJYSZSA-N 328.372 1.647 0 40 EDAB Cc1nc(N2CCCC2)nc2c1CCN(Cc1cncn1C)CC2 96254731 KLGLCPZGTZRLBZ-UHFFFAOYSA-N 326.448 1.720 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)NCC(C)C)C1 96244486 IHCMQRYFSHDVJM-GOSISDBHSA-N 347.463 1.690 0 40 EDAB COc1ccc([C@H](C)NC(=O)Cn2cc(C(=O)O)ccc2=O)cc1 95470253 VBSXDRAZBHWJHZ-NSHDSACASA-N 330.340 1.433 0 40 EDAB COc1cc(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)O)ccc1F 581413958 IDAWSHFOAMBVPW-LLVKDONJSA-N 347.364 1.087 0 40 EDAB CN1CCN(C(=O)CN2C(=O)C(C)(C)c3cc(Cl)ccc32)CC1 96181611 RFMMDIHGXQKIOD-UHFFFAOYSA-N 335.835 1.738 0 40 EDAB CCCS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(C)c(F)cc2F)C1 97212861 PELNFDIGIYSUKV-LLVKDONJSA-N 346.399 1.817 0 40 EDAB COC[C@@]12CCO[C@@H]1CCN(S(=O)(=O)c1ccccc1F)C2 96110326 ZTIDJJRFWQPZAH-CABCVRRESA-N 329.393 1.642 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 247335381 QLEMNOFWUDRUDV-LBPRGKRZSA-N 326.443 1.513 0 40 EDAB O=C(CC1CC1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 247844040 GJUFXPPSWTXDQY-HNNXBMFYSA-N 340.431 1.934 0 40 EDAB O=C(C[C@H]1COc2ccccc2O1)N[C@H]1Cc2ccccc2NC1=O 529945719 SDCAMUBDXVNQAL-ZFWWWQNUSA-N 338.363 1.896 0 40 EDAB c1cnc(NC[C@H]2CCC3(CN(Cc4cccnc4)C3)OC2)nc1 253601961 GRIFBDZBRYCBAV-MRXNPFEDSA-N 325.416 1.965 0 40 EDAB Cc1noc(C)c1C(=O)NCc1cnc(CC2CCN(C)CC2)cn1 257338580 YYBKKBQBGSBIMH-UHFFFAOYSA-N 343.431 1.896 0 40 EDAB COc1ccc2nnc(CNC(=O)Cn3ccc4ccccc43)n2n1 252479135 AZUCCXXHMWNAPO-UHFFFAOYSA-N 336.355 1.404 0 40 EDAB O=C(O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1COCCO1 585134258 KDLXBIZJXVILBT-HOTGVXAUSA-N 329.352 1.367 0 40 EDAB C[C@H](CC(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1)Cc1cccc(F)c1 585124349 HYALECUZNCOKGK-APHBMKBZSA-N 332.379 1.430 0 40 EDAB C[C@H]1[C@@H](C(=O)OC(C)(C)C)CC[C@@H](C)N1C(=O)[C@H]1COCCO1 585114346 CTKQNDYGJPPHBT-ZOBORPQBSA-N 327.421 1.759 0 40 EDAB COCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](NC(C)=O)CC1 257219126 DFRZSPSIVPTLKJ-LNLFQRSKSA-N 348.443 1.127 0 40 EDAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccsc3)C2)ncn1 257289514 PYYVQVIQMNPWHO-KRWDZBQOSA-N 346.456 1.950 0 40 EDAB C[C@@]1(NC(=O)c2ccnc(Cc3ccccc3)c2)CCS(=O)(=O)C1 257258213 KSVPLTWYTYDWGO-GOSISDBHSA-N 344.436 1.979 0 40 EDAB Cc1nccn1CC(=O)N1CCC2(CC(Nc3ccncn3)C2)C1 257310172 UDYVECZJYIZXOA-UHFFFAOYSA-N 326.404 1.475 0 40 EDAB Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257285175 PFYVAYKVAMMCPM-HZPDHXFCSA-N 338.398 1.840 0 40 EDAB CC(C)N1C(=O)C(=O)N(C(C)C)C1(O)c1nc(Cl)c(Cl)[nH]1 255189205 OLIIJRUGLGJMQN-UHFFFAOYSA-N 335.191 1.307 0 40 EDAB Cn1cc(C(=O)N2CCC3(CCO[C@H]3Cc3cncnc3)CC2)cn1 257246758 IVSJGQCZTHHCDJ-INIZCTEOSA-N 341.415 1.464 0 40 EDAB COc1ccc([C@@H](NC(=O)Cc2c(C)nn(C)c2C)C(=O)O)cc1 262174949 OGMQXZGAKUGENU-MRXNPFEDSA-N 331.372 1.530 0 40 EDAB C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CCO1 271306803 VULFQQALFRLXPZ-NJAFHUGGSA-N 347.459 1.927 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)[C@]2(N(C)C)COc3ccccc3C2)C1 1616040276 CWXLHOJCXMKHGZ-VQIMIIECSA-N 345.443 1.049 0 40 EDAB CC1(C)CN(C(=O)Cn2ncn3nccc3c2=O)[C@@H]1c1ccccc1 601972447 QSMOTHPLUUAHNL-MRXNPFEDSA-N 337.383 1.501 0 40 EDAB Cn1nc(C2CC2)cc1CNC(=O)[C@H]1NCCOc2ccccc21 1615548240 RKVOMQXDOVBGRJ-KRWDZBQOSA-N 326.400 1.637 0 40 EDAB Cn1ncc2c(S[C@H](Cc3ccc(F)cc3)C(N)=O)ncnc21 390833287 FRHFPHWEZRUEOE-GFCCVEGCSA-N 331.376 1.691 0 40 EDAB CO[C@@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/c2cnc[nH]2)C1 585289017 MHUPWRONVZJIOQ-FUTAKVPZSA-N 334.420 1.299 0 40 EDAB CC(C)(CO)C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111915 IZKZHFICLACDRQ-INIZCTEOSA-N 343.427 1.680 0 40 EDAB CN1C[C@@H](COCc2ccncc2)CC12CN(c1ncc(F)cn1)C2 585093726 APRPCZXGPCDEAA-HNNXBMFYSA-N 343.406 1.738 0 40 EDAB COCCN1CC[C@@]2(CN(C(=O)C3=CCCC3)CC(F)(F)C2)C1=O 585093260 MEUWEJFOEDFZFO-MRXNPFEDSA-N 342.386 1.829 0 40 EDAB CC1CCN([C@H](CNC(=O)C2=NNC(=O)CC2)c2cccs2)CC1 65608108 ASMVDJKBMXXGAC-CQSZACIVSA-N 348.472 1.903 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@H](C)C(=O)N1CCCC1)C2 65621677 HETIZKVIMQUFLK-TZMCWYRMSA-N 332.400 1.373 0 40 EDAB O=C(c1cc2ccccc2[nH]c1=O)N1CCCN(c2cccnn2)CC1 69877945 UEJOQRXMRMLFRN-UHFFFAOYSA-N 349.394 1.671 0 40 EDAB O=C1CN(Cc2nnc(-c3ccccc3Br)o2)CCN1 15479645 HBOVDCDZUZCXPK-UHFFFAOYSA-N 337.177 1.431 0 40 EDAB COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccc(C(C)C)cc1 72292919 ZNTPHRIBNMXXOK-INIZCTEOSA-N 345.399 1.812 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)Nc1ccccc1S(C)(=O)=O 43928789 PTJMMJGYGWSTBI-JTQLQIEISA-N 327.406 1.126 0 40 EDAB COc1cc2c(cc1OC)CCN(C(=O)c1ccn(C)c(=O)c1)CC2 56462628 QGQKXYWPYBFETA-UHFFFAOYSA-N 342.395 1.644 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(Cc2nc(N)c3ccccc3n2)C1 50998643 SXMWZNLSGFWZAD-CYBMUJFWSA-N 327.432 1.950 0 40 EDAB Cc1nnc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)s1 301380956 ZDHMDXSRFBBROH-UHFFFAOYSA-N 330.339 1.982 0 40 EDAB COC(=O)[C@@H](NC(=O)CSC[C@H]1CCCCO1)c1ccccn1 584907192 YNBKQCRHHOLMAI-DOMZBBRYSA-N 338.429 1.714 0 40 EDAB Cc1ccnc(Nc2ccc(NCCNC(=O)[C@@H]3CCCO3)nn2)c1 11696759 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C[C@H]1N(C)C(=O)COC12CCN(C(=O)Cc1ccc(F)cn1)CC2 1614933113 OAKBYBIROLNLAJ-GFCCVEGCSA-N 335.379 1.002 0 40 EDAB O=C(Cn1ccccc1=O)N1CCC2(CC1)CC(=O)N(CC1CC1)C2 1565544342 FIYZJBFFECYIMU-UHFFFAOYSA-N 343.427 1.099 0 40 EDAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(F)cc2)cc1 9571151 GTWAERIJSLQXFQ-UHFFFAOYSA-N 347.375 1.588 0 40 EDAB CC[C@@H](C)n1c(C)cn2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 10233546 BZVQKOIZFRCDSQ-KOLCDFICSA-N 345.403 1.579 0 40 EDAB O=C(N[C@H]1CCc2onc(CN3CCCC3)c2C1)c1cnccn1 2055738781 QAANLEXEFWYUIB-LBPRGKRZSA-N 327.388 1.348 0 40 EDAB CCCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2)c(C)n1 1775967619 YGBLJMORCTWICX-UHFFFAOYSA-N 329.400 1.829 0 40 EDAB COc1cccc(S(=O)(=O)N2CC[C@H](Oc3ncccn3)C2)c1 575611416 XABPUDYFKUGURY-ZDUSSCGKSA-N 335.385 1.327 0 40 EDAB COc1nc(CNC(=O)c2cc(-c3ccco3)on2)nc(N(C)C)n1 575608222 SDZVTLJMNRZAOU-UHFFFAOYSA-N 344.331 1.124 0 40 EDAB O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1cc(F)ccc1F 75155764 FNCLNJQTJXJJTK-GOSISDBHSA-N 346.333 1.854 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 24779333 ZLQNGHQDDONAER-UHFFFAOYSA-N 348.428 1.184 0 40 EDAB Cc1nn(C)cc1C1=NO[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 103504621 WOUHGFYZNXQCSH-OCCSQVGLSA-N 344.758 1.674 0 40 EDAB CNC(=O)CN1CCC(NC(=O)CCCOCc2ccccc2)CC1 50313359 CYROPRCBCKSVMP-UHFFFAOYSA-N 347.459 1.310 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)n1C 40479755 PSMZJPRANVKQLN-CYBMUJFWSA-N 327.384 1.764 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1COc2ccccc2C1 40553710 SHXFAJKUZFCACW-HZPDHXFCSA-N 338.411 1.813 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)c3cnc(C)cn3)cn2)CC1 40541127 BESKDXUOJRYPKP-UHFFFAOYSA-N 340.431 1.252 0 40 EDAB CN(CC(=O)NC[C@H]1CCOC1)S(=O)(=O)c1ccc(Cl)cc1 40516459 DZEHIEBDOJXDJN-LLVKDONJSA-N 346.836 1.113 0 40 EDAB Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=O)CC(C)(C)C2 20546392 RGYZHWLSEKFEEN-UHFFFAOYSA-N 334.416 1.805 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCc1ncc(-c2ccccc2)[nH]1 51411368 KIJPDQLTWGARFY-GXTWGEPZSA-N 326.400 1.855 0 40 EDAB O=C(C1CC1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 20723833 NIRITENQSAGMAW-OAHLLOKOSA-N 341.411 1.120 0 40 EDAB Cc1cc(CNC(=O)CN2CCC(N3CCNC3=O)CC2)ccc1F 52217152 SQXUVLPFFQZAQB-UHFFFAOYSA-N 348.422 1.240 0 40 EDAB CC(=O)c1cc(Br)ccc1OCC(=O)N1CCNC1=O 32910773 MDXSRBCLVQGWQD-UHFFFAOYSA-N 341.161 1.582 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 33004761 FKKQEFFMQWJKPT-ZFWWWQNUSA-N 335.379 1.516 0 40 EDAB CC(C)Oc1ccc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)cn1 76056169 ATZJZLPMSBPGGV-HOCLYGCPSA-N 333.432 1.662 0 40 EDAB Cn1ccs/c1=N/C(=O)[C@@H]1CSCN1C(=O)c1ccccc1 102934032 ZPSIKXMGLVGCLH-VVLLMFOMSA-N 333.438 1.729 0 40 EDAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(OCC(N)=O)cc1 78898628 DCKDUFYNSPECBL-GUYCJALGSA-N 345.443 1.287 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCCc1ccccn1 79491140 JNDGHHGEAMACCE-UHFFFAOYSA-N 326.400 1.266 0 40 EDAB CCc1c(C)sc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)c1C(N)=O 2805801 KOAYORSSLRVDCK-SKWLPYGWSA-N 334.397 1.385 0 40 EDAB Cc1cnc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cn1 22687213 MWRBOCQTIHLBCC-INIZCTEOSA-N 326.400 1.416 0 40 EDAB C[C@H](NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C1CC1 22774778 OSSCREKCXMXFLR-AWEZNQCLSA-N 345.443 1.448 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@H]1CC(=O)N(C2CCCC2)C1 22989741 KCSDLACDTCFOCN-LBPRGKRZSA-N 340.387 1.392 0 40 EDAB CSc1ccc(Cl)c(C(=O)OCC(=O)N2CCNC2=O)c1 6609680 KBUDKHDCBOECQI-UHFFFAOYSA-N 328.777 1.771 0 40 EDAB CC(C)(CNC(=O)c1c[nH]c2cc(F)ccc12)NS(C)(=O)=O 97046577 JUBRARTVFBRGMN-UHFFFAOYSA-N 327.381 1.365 0 40 EDAB C[C@@H]1Oc2ccc(NC(=O)c3cccc(C(N)=O)c3)cc2NC1=O 23056157 UMZVPVZIKNEQQI-VIFPVBQESA-N 325.324 1.757 0 40 EDAB CCc1nc(CNc2cccc(S(=O)(=O)NC3CC3)c2C)n[nH]1 97096682 KSBYDOAEPXGQGU-UHFFFAOYSA-N 335.433 1.728 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CCCO1 1077840 XVYDFXMMDQACSZ-ZDUSSCGKSA-N 348.384 1.395 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 72253531 TWOVOMVZCKREOI-INIZCTEOSA-N 344.415 1.567 0 40 EDAB Cc1nc(CN2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)c[nH]1 108536057 ZLYZKYQNARLUFD-ROUUACIJSA-N 327.432 1.588 0 40 EDAB C[C@H]1CN(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C[C@@H](C)O1 106065687 OYCBALYILMTRKI-LZWOXQAQSA-N 343.493 1.013 0 40 EDAB COc1ccc(CC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cc1 47636008 DFRPSMWGBNYOBJ-FUHWJXTLSA-N 348.443 1.091 0 40 EDAB CC(C)[C@H](C(=O)NCCNc1ncccn1)N1C[C@H](C)O[C@H](C)C1 106516027 AXXGCOOTEDLBCC-QLFBSQMISA-N 335.452 1.139 0 40 EDAB NC(=O)Cn1c(CSc2ccccn2)nc2ccccc2c1=O 12588753 JQVWFOXGTJKCEM-UHFFFAOYSA-N 326.381 1.569 0 40 EDAB O=S(=O)(NCc1ccnc(-n2cccn2)c1)N1CCCCCC1 26838723 YTBHBFOFLVAKLY-UHFFFAOYSA-N 335.433 1.478 0 40 EDAB CCn1cnnc1CNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 48021005 ZFGHLTHFZFZTGR-LLVKDONJSA-N 331.376 1.630 0 40 EDAB Cc1nc(SCC(=O)Nc2ccccc2Cl)nc(=O)n1N 27643325 LJEKYGQKPVCNTO-UHFFFAOYSA-N 325.781 1.045 0 40 EDAB CCc1nc2ccccc2n1CC(=O)N[C@@H](C(N)=O)c1ccccc1 10268026 CKBUWQKGXNTXOK-GOSISDBHSA-N 336.395 1.942 0 40 EDAB C[C@H](C(N)=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 27772524 MCPRNQRUYQACPZ-LLVKDONJSA-N 331.338 1.577 0 40 EDAB CC(=O)N1CCCN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CC1 44971399 BGIHRZDAXWOHLF-UHFFFAOYSA-N 341.415 1.841 0 40 EDAB COc1ncccc1CNC(=O)NC[C@@H](O)COc1cccc(F)c1 44955223 FHQXAGQDJIHSGM-CQSZACIVSA-N 349.362 1.468 0 40 EDAB O=C(NC1CCN(c2ccccn2)CC1)c1ccnc(-n2cncn2)c1 58309136 BHLPNTBAHVPGIW-UHFFFAOYSA-N 349.398 1.456 0 40 EDAB Cc1noc([C@@H](C)NC(=O)CCn2cnc3ccccc3c2=O)n1 58342705 HQRJCRHIKTUPDN-SNVBAGLBSA-N 327.344 1.355 0 40 EDAB O=C(NCCCCN1CCOCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 48287202 QGPRQLKLJSVQFV-MRXNPFEDSA-N 345.443 1.268 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)N2CCc3ccccc32)C1 36391957 QLLOYVFIKFVTIH-RHSMWYFYSA-N 329.444 1.812 0 40 EDAB COc1ccccc1S(=O)(=O)NNc1cc(Cl)nc(N)n1 97165053 PIBHHOVCHAQUFL-UHFFFAOYSA-N 329.769 1.026 0 40 EDAB Cc1ccc(Nc2nc(N)nc(COC(=O)Cn3cccn3)n2)cc1 11118610 AJCDBYSCYYUIJG-UHFFFAOYSA-N 339.359 1.446 0 40 EDAB O=C(NCCOC1CCCC1)N1CCN(Cc2ccccn2)CC1 97163449 OYZUSBUASZRWNA-UHFFFAOYSA-N 332.448 1.868 0 40 EDAB O=C(NCCCN1CCOCC1)C1CCN(Cc2ccccc2)CC1 20100531 DTRPATFKNMFNQP-UHFFFAOYSA-N 345.487 1.737 0 40 EDAB CC(C)OC(=O)CNC(=O)C(=O)Nc1cc(-c2ccccc2)ns1 95461419 OISYFKOSFBWJHX-UHFFFAOYSA-N 347.396 1.816 0 40 EDAB CCc1cc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)[nH]n1 95431037 XSNNXPBJQSPKSJ-MRXNPFEDSA-N 328.416 1.121 0 40 EDAB Cc1c(C(=O)NCCNc2ccc(C(F)(F)F)cn2)cnn1C 46362322 VORLZXRHICLTGI-UHFFFAOYSA-N 327.310 1.984 0 40 EDAB CCN(CC)Cc1ccc(CNC(=O)[C@@H](C)N2CCOCC2)cc1 48363253 QPHKDFADOFXKFG-MRXNPFEDSA-N 333.476 1.865 0 40 EDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O 48324445 IZGAKQQRGQDMFJ-AWEZNQCLSA-N 328.365 1.027 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cccc(NC(=O)NC(C)C)c2)CC1 48353964 UWWQVQBHOBFRJQ-UHFFFAOYSA-N 346.431 1.911 0 40 EDAB COc1cc(NC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)cc(OC)c1 3598130 SRSRSMBEFSIARZ-CQSZACIVSA-N 349.387 1.609 0 40 EDAB O=C1CN(C(=O)c2ccc(CNCc3cccs3)cc2)CCN1 48716986 CKDSMDKTZALTNB-UHFFFAOYSA-N 329.425 1.610 0 40 EDAB COc1cc(OC)c2c(C)c(CC(=O)NCCCO)c(=O)oc2c1 4085331 NUOTWDLJOMYOBN-UHFFFAOYSA-N 335.356 1.160 0 40 EDAB biogenic Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCOC[C@@H]1CC(C)C 71041459 CLJWCXBQKBJWMQ-ZDUSSCGKSA-N 332.404 1.147 0 40 EDAB CCCCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O 5129454 QOLPKMYFVBPWHG-UHFFFAOYSA-N 337.401 1.820 0 40 EDAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cnn(CC(N)=O)c1 65423724 WOJWMLGUIJFCDB-GFCCVEGCSA-N 333.417 1.971 0 40 EDAB C[C@@H](NS(=O)(=O)N(C)C)C(=O)Nc1cccc(N2CCCC2)c1 65590963 STVQFLGGGNVXOH-GFCCVEGCSA-N 340.449 1.010 0 40 EDAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1ccoc1 14196978 LBNJZQVMHJSWSS-UHFFFAOYSA-N 339.325 1.854 0 40 EDAB C[C@@H](OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(N)=O 4789958 BFXNDMSYZYTACJ-GFCCVEGCSA-N 326.352 1.994 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(Cn2nc(N(C)C)sc2=S)C1 66448042 YFXBEUHAAVXPLK-SNVBAGLBSA-N 345.494 1.908 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@H]1C2 306132742 LQSUKKYFXLLQKM-KGLIPLIRSA-N 345.472 1.782 0 40 EDAB CCCCC(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C 20178441 UVFXRUZTFNSYMT-UHFFFAOYSA-N 346.431 1.842 0 40 EDAB CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CCC[C@H]32)C1=O 4915610 KWJPLXLIRNEDKV-ZDUSSCGKSA-N 347.802 1.902 0 40 EDAB Nc1nc(N)nc(CSc2nnc(-c3cccs3)n2C2CC2)n1 7221497 WMDSTQAIPQGGIX-UHFFFAOYSA-N 346.445 1.983 0 40 EDAB NC(=O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 7375579 OREGJCJLZFWNFX-UHFFFAOYSA-N 336.335 1.591 0 40 EDAB COCCN1CC[C@H](CNC(=O)Cc2ccc(OC)c(OC)c2)C1 68493200 GWVNIETYRJIYAV-OAHLLOKOSA-N 336.432 1.331 0 40 EDAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCC(C)CC1 22251596 WRKCCIYXSPRSND-UHFFFAOYSA-N 340.445 1.963 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CCCN(Cc2cc(=O)c(O)co2)C1 96441632 UGPVTAZGTGKBSW-SECBINFHSA-N 334.294 1.236 0 40 EDAB Cc1cccc(CN2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 16440712 GEOMLJXBQDGWFW-INIZCTEOSA-N 336.457 1.074 0 40 EDAB C[C@@H](CN1CCCC1=O)Nc1ncnc2c1nnn2-c1ccccc1 69153752 HDGDOQTXTLCAQY-LBPRGKRZSA-N 337.387 1.633 0 40 EDAB O=C(N[C@@H]1CCCS(=O)(=O)C1)c1cccc(Br)c1 69144816 HBHUKKXYEDJKBY-LLVKDONJSA-N 332.219 1.756 0 40 EDAB C[C@@H](N[C@H]1COc2ccccc2C1)c1ccc(S(N)(=O)=O)cc1 91311899 HXWBHHFOSVNHTN-IUODEOHRSA-N 332.425 1.988 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)OC 70037638 DSTKQBLTNFNSLD-TVQRCGJNSA-N 332.356 1.230 0 40 EDAB CC(C)N1CCO[C@]2(CN(C(=O)N(C)C)C[C@@H]2c2cccnc2)C1=O 306130533 JIYVGBVWLBWNQF-QAPCUYQASA-N 346.431 1.168 0 40 EDAB Cc1ccc2nc(CN3CCO[C@H](Cn4cccn4)C3)cc(=O)n2c1 69376869 QLAZVXYGAXUPKF-INIZCTEOSA-N 339.399 1.100 0 40 EDAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2nc3nccc(C)n3n2)cc1 8391145 FVAWSZBETWVCCY-LLVKDONJSA-N 340.339 1.870 0 40 EDAB C[C@H](NC(=O)N1CCC[C@H](CO)C1)C(=O)N1CCc2ccccc21 71855132 LQAFOIOMPSEBKL-KBPBESRZSA-N 331.416 1.378 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccc3c(c1)NC(=O)CS3)C2 69484922 ATFTXVHJHFFDJT-UHFFFAOYSA-N 343.412 1.541 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3nc(-c4ccco4)no3)CCO2)c1 69452113 AWTIHACLGKOJRV-ZDUSSCGKSA-N 329.360 1.736 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cn(Cc2ccccc2)nn1 71829684 LQUJCQLOJBYYEE-TZMCWYRMSA-N 327.388 1.052 0 40 EDAB NC(=O)CN1CCC(NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 71838956 UEMBKIYTGRSGIC-UHFFFAOYSA-N 335.835 1.438 0 40 EDAB Cc1cc(N2CCc3c(ncn3C)C2)n2nc(C(F)(F)F)nc2n1 71859652 BAVISQZRRNYIFX-UHFFFAOYSA-N 337.309 1.748 0 40 EDAB CN1CCN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CC1 69520351 FBFFPVKIESAEJA-UHFFFAOYSA-N 331.397 1.926 0 40 EDAB O=C(CN1C(=O)CNC1=O)N[C@@H](c1ccccc1)C1CCCCC1 69620432 UCJVRGPQCOOZKM-KRWDZBQOSA-N 329.400 1.976 0 40 EDAB C[C@H](CNC(=O)c1csc(-c2ccco2)n1)N1CCN(C)CC1 71867412 PPTIQKPVZXDTQX-GFCCVEGCSA-N 334.445 1.769 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)N(C)Cc2cccc(Cl)c2)CC1 69773799 HRQJUSDXAQRGLG-CQSZACIVSA-N 339.867 1.297 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2ccccc2Cl)C1 69773944 HRINGQAWDGCGRM-FZMZJTMJSA-N 339.823 1.948 0 40 EDAB CN(C(=O)NCCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 69849317 SYHXIRPGHDKQIO-LBPRGKRZSA-N 346.836 1.547 0 40 EDAB CN1CCC(N(C)C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 69948100 ILNHDTMYQAVNCJ-ZDUSSCGKSA-N 343.493 1.849 0 40 EDAB CCc1cc(C(=O)NCc2cccc(-c3n[nH]c(C)n3)c2)cc(=O)[nH]1 97047443 VTOZVOFLGKBUGF-UHFFFAOYSA-N 337.383 1.961 0 40 EDAB COC(=O)c1nc(I)cnc1Br 98177593 BOEXWRBOBYLLMZ-UHFFFAOYSA-N 342.918 1.630 0 40 EDAB CN1CCN(c2ccccc2CNC(=O)NC[C@@H]2CCC[C@@H]2O)CC1 74089444 AODCEAZJQGYSMQ-WMZOPIPTSA-N 346.475 1.399 0 40 EDAB CN(CCS(C)(=O)=O)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 88619293 YXULUYIKJNPREF-PBHICJAKSA-N 336.457 1.577 0 40 EDAB CC(C)c1n[nH]c(-c2ccccc2NC(=O)CN2CCOCC2)n1 95979917 RGGXRNPXYBYIBA-UHFFFAOYSA-N 329.404 1.866 0 40 EDAB Cc1cc([C@](C)(O)CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)o1 95972913 SOUCCZHCVIOFCD-LALPHHSUSA-N 346.449 1.048 0 40 EDAB C[C@@H](c1cccc(F)c1)N1CCN(C(=O)[C@]2(O)CCSC2)CC1 95985831 GMJGJFLWTJSTGL-GUYCJALGSA-N 338.448 1.899 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 89505762 BYGOWHVHVLXBJW-GXFFZTMASA-N 333.436 1.030 0 40 EDAB O=C(CNCC1CCN(CCO)CC1)N1CCC[C@@H]2CCCC[C@@H]21 89818631 XQTMIRISSBTASP-ROUUACIJSA-N 337.508 1.462 0 40 EDAB CCOC(=O)[C@@]1(C)CCCN1C(=O)c1cn(Cc2cccs2)nn1 89978179 KDEWPJWVCLFGCH-MRXNPFEDSA-N 348.428 1.946 0 40 EDAB CCCn1nc(C(=O)N2CCN(C)C[C@H]2C)c2ccccc2c1=O 89960604 ZQFACCPQORFBIM-CYBMUJFWSA-N 328.416 1.583 0 40 EDAB CC[C@@H](NC(=O)c1csnn1)[C@@H]1CN(Cc2ccccc2)CCO1 89942930 RRPROMFRDPMORY-ZBFHGGJFSA-N 346.456 1.948 0 40 EDAB CCS(=O)(=O)NCCN1CCC[C@H]1Cc1ccccc1OC 68816660 UZHAUUFYUQKUOI-HNNXBMFYSA-N 326.462 1.641 0 40 EDAB Cc1cc(CNC(=O)NC[C@H]2CN(C)C[C@@H]2c2ccccc2)n[nH]1 1551220758 VQGFUPGGOKSKMA-DOTOQJQBSA-N 327.432 1.863 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)NCCc1nc2ccccc2[nH]1 32276521 BYDHTUJFQHPFCY-UHFFFAOYSA-N 347.382 1.575 0 40 EDAB Cc1csc(N2CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)n1 557516625 VKRFQPDIVQYANW-ZDUSSCGKSA-N 331.445 1.559 0 40 EDAB O=C(NC[C@H]1CCCN(C(=O)CCc2ccsc2)C1)[C@@H]1CCCN1 122143750 FLGTVHGJFRCJQX-CVEARBPZSA-N 349.500 1.788 0 40 EDAB Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccnn4C)[C@H]3C2)o1 306137001 QISTXZQWRYZTQT-YSVLISHTSA-N 344.415 1.198 0 40 EDAB Cc1sc(-n2cnnn2)c(C(=O)NCCCn2ccnc2)c1C 524734813 AMBXUFKORVUWJC-UHFFFAOYSA-N 331.405 1.357 0 40 EDAB CNC(=O)CCOc1ccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)cc1 78550575 NFJUJPIFPRKWMA-DOMZBBRYSA-N 335.404 1.891 0 40 EDAB COCC(=O)N1CCC[C@H](c2cc(Nc3cnccn3)nc(C)n2)C1 72360290 PWDRZMOBULBUHY-ZDUSSCGKSA-N 342.403 1.671 0 40 EDAB O=C(NC[C@@H](O)C1CCCCC1)C(=O)Nc1ccc(F)c(F)c1 69969937 OPGGXMWUHKVKMK-CQSZACIVSA-N 326.343 1.961 0 40 EDAB O=S(=O)(Cc1noc2ccccc12)N1CCC[C@@H]1Cn1nccn1 675007893 ACCMRGAEVHZEAV-GFCCVEGCSA-N 347.400 1.414 0 40 EDAB C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCCc1ccc(F)cc1F 79098691 YAXCUYQZYVBBSX-GHMZBOCLSA-N 348.415 1.970 0 40 EDAB COCCNc1ccc(C[C@H]2CCCN(Cc3c[nH]cn3)C2)nn1 72366101 YYFDSVMXNXCFBS-CQSZACIVSA-N 330.436 1.713 0 40 EDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1C 71980149 COMPJMIPOLEHHR-HNNXBMFYSA-N 332.400 1.733 0 40 EDAB CCOc1cccc([C@H](C)NC(=O)c2nc(N)nc(N(C)C)n2)c1 565732516 VNGWAUGHFDAKMR-JTQLQIEISA-N 330.392 1.410 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1nc2ccccc2o1 72244849 HZYGBAAUJXCACD-JQWIXIFHSA-N 337.401 1.429 0 40 EDAB CCOC(=O)[C@@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC 218412650 VXJOXLVIIQPCPT-MBNYWOFBSA-N 331.821 1.501 0 40 EDAB O=C(CSCCOc1ccc(F)cc1)N[C@@H]1CCCCNC1=O 78555519 WSJUECIZQYBEJR-CQSZACIVSA-N 340.420 1.723 0 40 EDAB Cc1csc(NS(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)n1 74936358 FZLOXADFAUSVSQ-UHFFFAOYSA-N 339.398 1.608 0 40 EDAB CN(C)C(=O)CN1CCC[C@H](c2nccnc2Nc2ccccn2)C1 72363616 OHAKYRDCMOACFJ-AWEZNQCLSA-N 340.431 1.883 0 40 EDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 218096128 ZOWPSFGVHIFVRO-IXDOHACOSA-N 332.425 1.291 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(NCCCO)c(C(=O)O)c1 217558843 ZAOCDDBISNRBJD-SNVBAGLBSA-N 330.406 1.256 0 40 EDAB CCc1noc([C@@H]2CCCN(C(=O)c3nnc4ccccc4n3)C2)n1 40714745 XFBFPMKUWATUPH-LLVKDONJSA-N 338.371 1.990 0 40 EDAB Brc1c[nH]nc1-c1nn2c(-c3cnccn3)nnc2s1 44901318 LIQYIMUPWJXFFG-UHFFFAOYSA-N 349.177 1.795 0 40 EDAB COc1ccc(N2CCN(CC(=O)NCC(F)(F)F)C2=O)cc1 49384603 AHWVTZAPJQHFGY-UHFFFAOYSA-N 331.294 1.616 0 40 EDAB C[C@@](O)(CNS(=O)(=O)c1ccc(Br)cc1)C1CC1 61976587 IWOIMSJCRXKURW-GFCCVEGCSA-N 334.235 1.888 0 40 EDAB COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(Br)c(C)c1 195578146 DLDDJYHBCBOFON-WCQYABFASA-N 328.206 1.866 0 40 EDAB COc1ccc([C@@H](NS(=O)(=O)C2(C)CC2)c2nccn2C)cc1 570898389 BHRPUMJWXHVBRR-CQSZACIVSA-N 335.429 1.990 0 40 EDAB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(-n2cccc2)c1 226245706 QKVAAJOXDFIGEU-UHFFFAOYSA-N 327.384 1.932 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1cc(N2CCOCC2)on1 224079719 TWISSDPFTROBIL-UHFFFAOYSA-N 331.328 1.170 0 40 EDAB CCc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCC3)c2=O)cc1 222662254 MRJLLEGZZVXZDL-UHFFFAOYSA-N 343.383 1.382 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCc3ccccc32)C1=O 44890834 RDKUGFNSRYZBSJ-KDOFPFPSSA-N 327.384 1.511 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cc3cc(OC)ccc3o2)C1 96499951 RKOQPSYOAKTRQF-OAHLLOKOSA-N 338.429 1.955 0 40 EDAB O=C(NCCc1ccncc1)c1nc2c(o1)CN(Cc1cccnc1)C2 96147299 XCSSVFQBZLYIKI-UHFFFAOYSA-N 349.394 1.953 0 40 EDAB O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 583325688 VWYLCYZJAKCAPB-LJISPDSOSA-N 349.431 1.378 0 40 EDAB CC(C)(C)c1nc(C(=O)N2C[C@H](C(=O)O)CC[C@H]2C(=O)O)cs1 585134254 KCUAJJIRDKBLBP-SCZZXKLOSA-N 340.401 1.831 0 40 EDAB Nc1c(Cl)cc(C(=O)OCC2CCNCC2)c2c1OCCO2 140505223 ZOJUIFMLXOAGHO-UHFFFAOYSA-N 326.780 1.850 0 40 EDAB Cc1cc(CN(C)C(=O)[C@H](c2ccccc2)n2nnnc2C)ccn1 584903039 VOMWJVLBQRZCCO-KRWDZBQOSA-N 336.399 1.933 0 40 EDAB O=C(c1ncccn1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 96108798 GHQFHOWTCMFEPD-CRAIPNDOSA-N 347.415 1.008 0 40 EDAB O=C(NCCCO)c1ccc(NCCN2CCOCC2)c(Cl)c1 585129524 MPVWJPYOAHIOFM-UHFFFAOYSA-N 341.839 1.196 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@@]2(CCN(C(=O)c3cccn3C)C2)C1 96219817 PPWZSWMCJIDPDY-KDOFPFPSSA-N 341.415 1.325 0 40 EDAB CN1C[C@H](NC(=O)c2ccc3nnn(C)c3c2)CC[C@H]1C(F)(F)F 583618074 ABDKWWIRHAPBPU-MFKMUULPSA-N 341.337 1.723 0 40 EDAB Cc1noc([C@H]2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)n1 583616583 NUGVLJHJZINLQS-VIFPVBQESA-N 345.812 1.252 0 40 EDAB CC(=O)Nc1nc(C(=O)NCc2c3c(nn2C)CCCC3)cs1 331662341 OKAWAKUTVNZYNE-UHFFFAOYSA-N 333.417 1.644 0 40 EDAB O=C(c1ccc[nH]1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 96187976 RABNSOPXUXAKLT-CQSZACIVSA-N 337.383 1.957 0 40 EDAB Cc1ccc(CN2CCc3nnc(COCCN(C)C)n3CC2)o1 96058866 QMLSMRPZUVEEFN-UHFFFAOYSA-N 333.436 1.316 0 40 EDAB Cc1c(C(=O)OC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cnn1C 96442648 BDNQIGUIVCGFJY-OAHLLOKOSA-N 327.384 1.934 0 40 EDAB O=c1c(N2CC[C@H](OCCN3CCCCC3)C2)nccn1C1CC1 96494553 DOSIQXIZONWQHQ-INIZCTEOSA-N 332.448 1.659 0 40 EDAB O=C([C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1cccnc1)N1CCSCC1 247823739 IHAPIGQLLYGIES-PMPSAXMXSA-N 345.468 1.752 0 40 EDAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H]1CO[C@@H]2C=CC=C[C@H]2O1 247986662 ZNJLBBPXCGRSGZ-HZMVEIRTSA-N 327.384 1.557 0 40 EDAB CNc1cc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)ccn1 257307813 TUFQQJCFWHIJDL-CQSZACIVSA-N 326.400 1.842 0 40 EDAB CCn1ccc(NC(=O)C[C@@H]2CCCN(C(=O)c3c[nH]c(O)n3)C2)n1 257270593 MUWCXFICJUNYLX-NSHDSACASA-N 346.391 1.213 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ccc(C)nc3)CC2)C[C@]1(C)CO 257254574 KDSNYCDZXJTSDA-GOSISDBHSA-N 345.443 1.616 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)/C=C/c1ccc(F)cc1 24689401 BYULGOLKHKMEDQ-JOZWUWCOSA-N 340.420 1.769 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C[C@H](O)C2CC2)CC1 85436645 LYGVZIZFAZSURO-MRKPZDFFSA-N 344.411 1.344 0 40 EDAB Cc1noc([C@H](C)N2CCN(C(=O)C3(C4CC4)CCOCC3)CC2)n1 253430435 ZLXQLRFTYGUVOH-ZDUSSCGKSA-N 348.447 1.790 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)NC3CCC(C(=O)O)CC3)ccc21 263505549 VNFUNWPZINGVEX-UHFFFAOYSA-N 333.344 1.896 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NCC[C@@H](O)c1ccoc1 90613148 PCJQKQKVSDBDKQ-SNVBAGLBSA-N 345.398 1.530 0 40 EDAB Cc1cc(N2C[C@@H]3OC(=O)N(C4CCN(C(C)C)CC4)[C@@H]3C2)ncn1 1615590955 NDXLKKPFLFRGCE-CVEARBPZSA-N 345.447 1.667 0 40 EDAB COc1nn2cc(Br)cnc2c1CNC1CCOCC1 1616038887 RTYBUBZBCXPHND-UHFFFAOYSA-N 341.209 1.769 0 40 EDAB CCc1nc(C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)o1 293075302 QVQFCZOLAOCCME-UHFFFAOYSA-N 329.404 1.945 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1 575405446 SMWBDORXGMGXKS-CVEARBPZSA-N 332.400 1.395 0 40 EDAB CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1cnc2ccsc2c1 585094123 DJUTYVBFFBNFHT-NSHDSACASA-N 325.415 1.099 0 40 EDAB CNC(=O)C[C@]1(O)COCCN(C(=O)c2ccc3oc(C)cc3c2)C1 585280624 MEUIDPQHRIUGPV-GOSISDBHSA-N 346.383 1.081 0 40 EDAB Cn1cc(C(=O)N2CCO[C@](CO)(Cc3ccc(Cl)cc3)C2)cn1 585268914 DJXKNLZXUVTUCB-QGZVFWFLSA-N 349.818 1.520 0 40 EDAB COC[C@@H](C)NC(=O)c1cn(-c2ccc(Br)cc2)nn1 25042263 PREVXKQFZDSLIV-SECBINFHSA-N 339.193 1.795 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1cnc2ccccc2c1 585279044 SBSYJJKSYIUARP-IBGZPJMESA-N 341.411 1.992 0 40 EDAB COC[C@]1(CC(=O)N(C)C)CN(Cc2cccc3[nH]ccc23)CCO1 585276166 DFZNRDCBDXYXGS-IBGZPJMESA-N 345.443 1.864 0 40 EDAB O=C(O)COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]3C[C@H]32)cc1F 926556556 WUWRRAISXPZRQG-IRUJWGPZSA-N 343.376 1.756 0 40 EDAB O=C(NCCn1cccnc1=O)c1nc(-c2cccs2)cs1 828231546 ASVGSTKWTVSSIU-UHFFFAOYSA-N 332.410 1.858 0 40 EDAB CCOc1ncccc1NC(=O)C(=O)NC[C@@H](C)CN1CCCCC1 69922238 NPBZKYFOWQPCNH-CQSZACIVSA-N 348.447 1.657 0 40 EDAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)CC1 57335821 XADQJGHZOZWAFS-AWEZNQCLSA-N 348.447 1.854 0 40 EDAB CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1ccnc(N(C)C)c1 57471152 BVKQMTLKKOSNPT-OAHLLOKOSA-N 332.448 1.945 0 40 EDAB C[C@@H](CCc1ccc(Br)cc1)NC(=O)Cn1cnnn1 53221690 UQVZJVICJLVNMH-JTQLQIEISA-N 338.209 1.573 0 40 EDAB Cc1nnc2c(N3CCC(Oc4ncc(F)cn4)CC3)nccn12 1776008612 JXLPOTLUAFMZQB-UHFFFAOYSA-N 329.339 1.410 0 40 EDAB CCOc1ncc(C(=O)N2CCN(c3nccn3C)CC2)cc1Cl 76084238 IWAOWRGAWOVPFB-UHFFFAOYSA-N 349.822 1.830 0 40 EDAB CC(C)(C)c1ccc(CN2CCN(CCS(N)(=O)=O)CC2)s1 93741105 WKQKNFLBAYHFQH-UHFFFAOYSA-N 345.534 1.452 0 40 EDAB C[C@@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)C[C@@H]1N(C)C 78894458 XZUYGCKENFPDCZ-OCCSQVGLSA-N 333.457 1.534 0 40 EDAB Cc1cccc(CS(=O)(=O)N2CCC(S(C)(=O)=O)CC2)c1 96366193 CTSGXVDJONXCSE-UHFFFAOYSA-N 331.459 1.334 0 40 EDAB Cc1c(F)cccc1C(=O)N1CCC(n2cc(C(=O)O)nn2)CC1 571299609 WPCFXUUEAGLWFH-UHFFFAOYSA-N 332.335 1.901 0 40 EDAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCOC[C@H]1CCO 89773080 LBHFUWBMNRFYJI-SECBINFHSA-N 340.228 1.765 0 40 EDAB Cc1cc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)no1 1206817520 NUWRVURCWTZOBG-HUUCEWRRSA-N 347.440 1.736 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)N2CCCc3ccccc32)c1=O 5000106 YYNGLLKWRRMMGG-UHFFFAOYSA-N 349.390 1.680 0 40 EDAB COc1ccc(NC(=O)Cn2ncc3cccn3c2=O)cc1OC 12143248 LDGXWTHISPFJSK-UHFFFAOYSA-N 328.328 1.152 0 40 EDAB COc1ccc2cc(C)c3nn(CC(=O)NC(C)(C)C)c(=O)n3c2c1 12181549 CTCJBZCGIFMRHH-UHFFFAOYSA-N 342.399 1.881 0 40 EDAB CC(C)CNC(=O)[C@]1(Cc2cc([C@@H]3CCOC3)no2)CCCNC1 12220154 FXTKSEXHGARECT-KDOFPFPSSA-N 335.448 1.863 0 40 EDAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 15335157 OVZSFTONBWQGCO-SWLSCSKDSA-N 333.409 1.910 0 40 EDAB CN(CC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccccc1 16188208 PELPLCJJEUPCQI-UHFFFAOYSA-N 347.396 1.045 0 40 EDAB Cc1cc(O)n2nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2n1 19117174 MKDSONJKXZMQSC-AWEZNQCLSA-N 330.388 1.628 0 40 EDAB Cc1ccnn1[C@H](C)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19238288 ITKMDYGAVAMXGU-CZUORRHYSA-N 340.431 1.552 0 40 EDAB CCN1CCN([C@H](CC(C)C)c2nnnn2C[C@@H]2CCCO2)CC1 19527895 TUEIZGZBLUQOPI-JKSUJKDBSA-N 336.484 1.577 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NC1CCC(O)CC1 19576160 HPMKLFBKBOHRTK-TUMCZEFDSA-N 342.395 1.493 0 40 EDAB COc1cccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)c1 33324530 OILPAYMJNGSAMR-UHFFFAOYSA-N 336.351 1.953 0 40 EDAB COC(=O)c1ccccc1N(C)C(=O)CSc1nc(N)cc(N)n1 11392077 HDVLJAOLBFYTIE-UHFFFAOYSA-N 347.400 1.183 0 40 EDAB O=C([C@@H]1CN(c2nccc(C(F)(F)F)n2)CCO1)N1CCCCC1 1888835051 KBHLKGATJROIKU-NSHDSACASA-N 344.337 1.713 0 40 EDAB CC(C)NC(=O)c1cn(C[C@@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1888854582 CVMYZVWAYCZSGZ-OAHLLOKOSA-N 341.415 1.465 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)C5CCC5)C[C@@H]4C3)ncnc21 1888865682 LRLUSDRKRLBALQ-STQMWFEESA-N 326.404 1.058 0 40 EDAB Cc1nc(C2CC2)cc(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 1888888503 NCODORUFLMYWPS-UHFFFAOYSA-N 336.403 1.655 0 40 EDAB CC(C)[C@@H](Cn1nccn1)NC(=O)Cn1c(=O)oc2ccccc21 238878498 OQSRAIIFDDZFMW-GFCCVEGCSA-N 329.360 1.027 0 40 EDAB CC1CC(C(=O)N2CCC3(CCC(=O)N3CC(=O)N(C)C)CC2)C1 1565547438 RJAWTSXLHNSNMB-UHFFFAOYSA-N 335.448 1.104 0 40 EDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@H]1COC2(CCCC2)O1 5352807 QDSMPUOQWAHSFI-HNNXBMFYSA-N 336.432 1.795 0 40 EDAB CCOCC(=O)N[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055746342 QCWJRIYPEFVCNC-GFCCVEGCSA-N 335.404 1.357 0 40 EDAB O=C(N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1)c1cocn1 2055739017 HONTURKSLYGZHY-SNVBAGLBSA-N 330.344 1.186 0 40 EDAB COc1cccc(CC(=O)N2CC[C@@H](Oc3ccc(OC)nn3)C2)c1 225436462 IQWJXQMQTGGBBY-OAHLLOKOSA-N 343.383 1.716 0 40 EDAB Cn1nc(C(=O)NCc2ccnc(-c3cccs3)c2)ccc1=O 225651215 NPCBJBNJRHMHSP-UHFFFAOYSA-N 326.381 1.834 0 40 EDAB CN1c2ccc(F)cc2N(CC(=O)NC2CCCCC2)S1(=O)=O 575609647 ZLKMITJMEUQHAQ-UHFFFAOYSA-N 341.408 1.776 0 40 EDAB Cc1cccc(OCC(=O)N2CCC(N3C(=O)COC3=O)CC2)c1 585326748 FLVCHLLLCCUYFX-UHFFFAOYSA-N 332.356 1.344 0 40 EDAB CCOC(=O)c1c(SCCN2CCCCC2)nc(=O)[nH]c1C 5251684 IRHIBEJZQWOQLT-UHFFFAOYSA-N 325.434 1.833 0 40 EDAB NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccc(F)cc1 6805020 ZVWVMZZGWPTCGX-UHFFFAOYSA-N 344.371 1.556 0 40 EDAB Cn1ccnc1N1CCN(C(=O)c2ccc(Br)o2)CC1 13693561 SCAAWYHRWPXYCN-UHFFFAOYSA-N 339.193 1.738 0 40 EDAB O=C(O[C@H]1CCCCC1=O)c1ccc(N2CCCS2(=O)=O)cc1 40034354 UIXFWIWIUBOULU-HNNXBMFYSA-N 337.397 1.895 0 40 EDAB CCCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)cc1 30333055 URPJAXKNSXTDIM-CQSZACIVSA-N 326.418 1.504 0 40 EDAB O=C(NCc1ccco1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 30953633 YXAXURZDCGZRPJ-OAHLLOKOSA-N 334.397 1.749 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCCCc2ccccc2)o1 31593707 ZMCHWNKJZWEKQX-UHFFFAOYSA-N 336.413 1.940 0 40 EDAB CC(=O)Nc1nc(C(=O)NC2CCN(c3ncccn3)CC2)cs1 40535619 WLOIWAGKLCDJBO-UHFFFAOYSA-N 346.416 1.290 0 40 EDAB CN(C)c1cc(CNS(=O)(=O)c2ccc(F)cc2F)ccn1 40512740 KFRCWEMHKZNGRC-UHFFFAOYSA-N 327.356 1.904 0 40 EDAB C[C@H]1CCCN([C@@H](C)CNS(=O)(=O)c2ccc(C(N)=O)cc2)C1 40527731 KAJHBLPSPKIBQG-STQMWFEESA-N 339.461 1.184 0 40 EDAB CCOC(=O)c1c[nH]n(CC(=O)N[C@@H](C)c2cc(C)ccc2C)c1=N 100993124 PJKRPHUOVQEATM-ZDUSSCGKSA-N 344.415 1.967 0 40 EDAB Cc1ccc(OC[C@H](O)CN2CCC(N3CCNC3=O)CC2)c(C)c1 51449942 XPXJKIHAPLRJLN-QGZVFWFLSA-N 347.459 1.533 0 40 EDAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@@H](C(N)=O)C1 41128869 REHRILAIKZPRGJ-VHSXEESVSA-N 341.205 1.550 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1cc(F)cc(F)c1 32857817 SFBIEHFWBWYHFZ-MRXNPFEDSA-N 345.349 1.816 0 40 EDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 46417601 VNXUHWWQYIWBNE-LBPRGKRZSA-N 339.386 1.776 0 40 EDAB CCOC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C 420814 BVFNVKACMJYNSV-UHFFFAOYSA-N 331.401 1.868 0 40 EDAB Cc1cccc(C)c1OC1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 71821166 DKYKERYWEKYBDO-CQSZACIVSA-N 345.399 1.271 0 40 EDAB CCO[C@@H]1CCCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 71825565 MWEDARNQDRMCAC-CYBMUJFWSA-N 337.420 1.269 0 40 EDAB Cc1nn(CC(=O)N2CCC(N3CCNC3=O)CC2)c(C)c1Cl 71819355 NZKUGGCJUDSQEC-UHFFFAOYSA-N 339.827 1.170 0 40 EDAB O=C(c1ccc(N2CCCC2=O)cc1)N1CC[C@](O)(C(F)(F)F)C1 78025511 PMJISNNHIGPYJC-OAHLLOKOSA-N 342.317 1.953 0 40 EDAB Cc1nn(CC(=O)N2C[C@@H](N(C)C)[C@H](C)C2)c(=O)c2ccccc12 78895244 KNXYWNGQLFLMRQ-MLGOLLRUSA-N 328.416 1.113 0 40 EDAB O=C(CCCNc1ncccn1)Nc1ccc(Cn2cncn2)cc1 79464350 QBMOBMRIQAZNPK-UHFFFAOYSA-N 337.387 1.947 0 40 EDAB c1ccc([C@H](CN2CCOCC2)Nc2ccc3nnnn3n2)cc1 22357678 JKYONKLKVXBGHI-AWEZNQCLSA-N 325.376 1.005 0 40 EDAB Cc1ccc2nc(SCC(=O)NCc3ccccc3)nc(=O)n2c1 4503643 CWQZYQAXYCSQKG-UHFFFAOYSA-N 340.408 1.806 0 40 EDAB Cn1c(NCCCOC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 53553084 UZJVNPFZRPMFRN-UHFFFAOYSA-N 335.408 1.112 0 40 EDAB C[C@H](NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1)C(=O)O 6486900 VUZVKQRYIZFWBB-LBPRGKRZSA-N 334.372 1.815 0 40 EDAB CCc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)cc1 6679483 QJVMQLYQLPHARW-UHFFFAOYSA-N 343.408 1.963 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 6880381 IZKXEZGTBIJPJR-UHFFFAOYSA-N 328.434 1.668 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1 7504861 KOVIDEQTDCLKSM-UHFFFAOYSA-N 346.427 1.939 0 40 EDAB COC1CCN(C(=O)CCN2C(=O)NC3(CCCCC3)C2=O)CC1 53886393 FBNIAVBEMTZYCK-UHFFFAOYSA-N 337.420 1.269 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3F)o2)C1 53894837 OMZNLBWDZZHXKX-LLVKDONJSA-N 332.331 1.945 0 40 EDAB C[C@@H](NC(=O)N[C@H](C)c1nncn1C)c1ccc2c(c1)NC(=O)CO2 46962660 GDTQDWNYYZONEU-NXEZZACHSA-N 344.375 1.267 0 40 EDAB O=C([C@@H]1CCCO1)N1[C@@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 100119184 RZXYFVWVHXXPJW-IOASZLSFSA-N 339.395 1.491 0 40 EDAB COc1ccccc1OCCNC(=O)c1nc(-c2cccnc2)no1 12389801 LYEQIQDOEZOANB-UHFFFAOYSA-N 340.339 1.949 0 40 EDAB O=S1(=O)CC[C@H](NCc2ccc(OCc3cscn3)cc2)C1 42734664 WNXZNVFIOAKSAB-ZDUSSCGKSA-N 338.454 1.999 0 40 EDAB O=C(NCC1(c2ccccc2)CC1)c1cnc2nc(O)[nH]c(=O)c2c1 47477730 HJCRPGKKOQTNLK-UHFFFAOYSA-N 336.351 1.485 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COCC2CCC2)C1 107712604 XGVNUBWUTUTJKW-HOTGVXAUSA-N 346.493 1.481 0 40 EDAB CN(Cc1ccsc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24051717 MYYMDQRKBKMIJW-UHFFFAOYSA-N 345.467 1.972 0 40 EDAB CC(C)[C@@H](OC(=O)CCc1ccc2c(c1)OCO2)C(=O)NC(N)=O 12450338 ZTOLACDZKHPGCW-CQSZACIVSA-N 336.344 1.111 0 40 EDAB Cc1cc(C)nc(N(C#N)CN2C(=O)c3ccccc3S2(=O)=O)n1 3092608 HWGQUXHTDBXLRF-UHFFFAOYSA-N 343.368 1.183 0 40 EDAB NC(=O)NC(=O)CSc1nnc(NCCc2cccs2)s1 9952596 ADNAGQKJPHIMKG-UHFFFAOYSA-N 343.459 1.541 0 40 EDAB COc1cccc(NC(=O)C[C@@H](CN2CCCN(C)CC2)C(=O)O)c1 106810145 QCCZPZFCAGZSKC-AWEZNQCLSA-N 349.431 1.362 0 40 EDAB Cc1nc(CN2CCCN(CC(=O)N[C@H](C)c3ccco3)CC2)no1 106907728 VTQUQAPZHIQMHS-CYBMUJFWSA-N 347.419 1.356 0 40 EDAB COc1ccc([C@@H]2C[C@@H]2C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 107057974 JZNJEIDPRRUKQK-FCLVOEFKSA-N 344.455 1.978 0 40 EDAB COc1cccc(C(=O)NCCNC(=O)Cc2c(C)nn(C)c2C)c1 26376699 VRPJACUKZDFFGF-UHFFFAOYSA-N 344.415 1.134 0 40 EDAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(C)c(=O)c3sccc32)c1 57426470 PFEDBMIRECQROO-UHFFFAOYSA-N 343.408 1.733 0 40 EDAB CC(C)NS(=O)(=O)c1cccc(CNc2ncccc2C(N)=O)c1 26708070 QUHQLPUNWAZRCP-UHFFFAOYSA-N 348.428 1.479 0 40 EDAB O=C(NCCCn1cncn1)N[C@H]1CCN(Cc2ccccc2)C1 47965737 BRKJEGXJJSBQCR-INIZCTEOSA-N 328.420 1.242 0 40 EDAB Cn1ncc2c(=O)[nH]c(N3CCN(CCc4cccs4)CC3)nc21 57841599 QBPILVCNYLJJCD-UHFFFAOYSA-N 344.444 1.083 0 40 EDAB CC(=O)NCCc1ccc(S(=O)(=O)NCC2CCCC2)s1 58018019 REUSKGACUKOJNM-UHFFFAOYSA-N 330.475 1.895 0 40 EDAB COC(=O)c1ccc(N2CCN(Cc3nc(C)no3)[C@@H](C)C2)cc1 58185010 DYVKIZVPUCZBIJ-LBPRGKRZSA-N 330.388 1.875 0 40 EDAB C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2F)C1 58267334 FXKUJOVMDLRPSL-NSHDSACASA-N 346.399 1.892 0 40 EDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCc1ccc(F)cc1 12623693 TWUYIYRLPHJSDO-HUUCEWRRSA-N 330.359 1.436 0 40 EDAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccn2)n(C)c1 12633296 ZJCNXEUIVFTNSW-UHFFFAOYSA-N 336.417 1.703 0 40 EDAB CN(CCCNC(=O)N1CCC[C@H]1c1ccncc1)S(C)(=O)=O 44971061 SOFOBKZGSSAKJC-AWEZNQCLSA-N 340.449 1.210 0 40 EDAB CCN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)C1CCCC1 44950427 IKBNIHAMNKMTFR-MRXNPFEDSA-N 331.416 1.530 0 40 EDAB COc1ccccc1NC(=O)CCn1cnc2c(cnn2C)c1=O 12618723 DUCVNMCIIWMFBT-UHFFFAOYSA-N 327.344 1.167 0 40 EDAB CCC(C)(C)NC(=O)Cn1c(-c2ccc(OC)c(OC)c2)noc1=O 58357119 XEXCRQZRPZKPPB-UHFFFAOYSA-N 349.387 1.825 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](N)C1 36296987 VMLHCHUEKHXAKU-NSHDSACASA-N 333.251 1.869 0 40 EDAB O=C(c1cccnc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 58429085 JCZWQPVEGQBMMT-UHFFFAOYSA-N 349.398 1.015 0 40 EDAB c1ccc2c(c1)C[C@H](CNCc1cnc(N3CCOCC3)nc1)O2 48263134 MZOLTPGUOKGGEB-MRXNPFEDSA-N 326.400 1.407 0 40 EDAB COCCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 28489956 ACNWXXQGYNYWJN-UHFFFAOYSA-N 340.445 1.628 0 40 EDAB O=C(c1ccc2[nH]nnc2c1)N1CCN(CCc2ccccc2)CC1 28814272 BEUPCMBSTWWQKF-UHFFFAOYSA-N 335.411 1.958 0 40 EDAB Cc1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)s2)cc1 45856734 JKGIBYOUWXQWGZ-UHFFFAOYSA-N 338.454 1.605 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1ccn(-c2cccc(F)c2)n1 62267585 NHUISVVSDIWSFP-UHFFFAOYSA-N 348.359 1.437 0 40 EDAB CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007533 IKNQZPFSDFPZHX-HNNXBMFYSA-N 336.388 1.461 0 40 EDAB COc1ccnc(N2CCCN(Cc3nnsc3Cl)CC2)n1 60340031 LRXDIZCHNYHWMG-UHFFFAOYSA-N 340.840 1.702 0 40 EDAB O=C(NCCNc1ccc2ccccc2n1)N[C@H]1CCS(=O)(=O)C1 60330638 AQHOLQOSONYGKJ-ZDUSSCGKSA-N 348.428 1.133 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1C 48300842 NKZMCGSQOFHTRQ-PWSUYJOCSA-N 340.449 1.161 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCC(C)C)C2=O)cc1 3461159 MGNOVRGEPOSOFA-SFHVURJKSA-N 331.416 1.924 0 40 EDAB CCOC(=O)[C@H]1ON2CCc3ccccc3[C@H]2[C@@]1(O)C(F)(F)F 5196257 OHQJJUUDLKRCPW-SCRDCRAPSA-N 331.290 1.756 0 40 EDAB CN1C(=O)N/C(=C\c2cc3c(cc2Br)OCO3)C1=O 409193733 LBVFTQWMYCLPFT-WAPJZHGLSA-N 325.118 1.700 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccn(-c3ccccc3F)n2)C[C@@H](C)O1 65402457 MRDWHIHOAGIHST-OKILXGFUSA-N 346.406 1.850 0 40 EDAB COc1cc2cc(C(=O)NCCCN3CCCC3=O)[nH]c2cc1OC 5349926 JTEODKAWJNWPKN-UHFFFAOYSA-N 345.399 1.927 0 40 EDAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1nnc2ccccn12 14137715 RTVDLFULNZSHEH-UHFFFAOYSA-N 348.366 1.215 0 40 EDAB NC(=O)c1cccc2c1CCCN2C(=O)[C@H]1COc2ccccc2O1 65607463 QUBUYJWIOVLIBF-QGZVFWFLSA-N 338.363 1.905 0 40 EDAB COc1ccc(NC(=O)C(=O)NCc2cccnc2OC)c(C)c1 65620589 SPAUCZVIFNYMOH-UHFFFAOYSA-N 329.356 1.662 0 40 EDAB Cn1c(=O)[nH]c(=O)c2[nH]c(N3CCC(Cc4ccccc4)CC3)nc21 5461846 VLYWIBRXCIMDDD-UHFFFAOYSA-N 339.399 1.409 0 40 EDAB CCN(CC)C(=O)CNC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1 66632253 OEIRSMLJPKACJG-SFHVURJKSA-N 347.459 1.875 0 40 EDAB Cc1cccc(C)c1N(CC(=O)NCc1ccncc1)S(C)(=O)=O 5983521 AIGIAGIMHZUDFE-UHFFFAOYSA-N 347.440 1.781 0 40 EDAB CN(C)c1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)nn1 67272332 LWPVBJQHYOSAFX-HNNXBMFYSA-N 341.415 1.759 0 40 EDAB COc1ccc(CNC(=O)N2CCCC3(C2)OCCO3)cc1OC 83960278 VABRVVFAOVXQSV-UHFFFAOYSA-N 336.388 1.752 0 40 EDAB Cc1ccc(CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 67554125 NEOHSSFWJMGARR-CQSZACIVSA-N 325.434 1.218 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C[C@@H](C)O1 15587143 XEQYRKHQDOVMLK-VXGBXAGGSA-N 338.429 1.377 0 40 EDAB CCCCN(C(=O)C1CCCC1)c1c(N)n(CCC)c(=O)[nH]c1=O 7814333 PPYHDTZASKKNEL-UHFFFAOYSA-N 336.436 1.852 0 40 EDAB Cc1ccc(Nc2nc(N)nc(COC(=O)[C@@H]3CCCO3)n2)cc1 16799539 NMJMXKCBUXMABB-LBPRGKRZSA-N 329.360 1.728 0 40 EDAB CCOC(=O)C1=C(COC(=O)Cc2cccs2)NC(=O)N[C@H]1C 8389057 TVNLFCSXEZWIAT-VIFPVBQESA-N 338.385 1.352 0 40 EDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](n2nc(C)cc2C)C1 69489692 CTOSRASMDKUIJX-HUUCEWRRSA-N 336.461 1.585 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H](n2ccnc2)C1 69659970 ZEQKFNNUPPXRJH-NSHDSACASA-N 327.310 1.962 0 40 EDAB CN(Cc1ccccc1)C(=O)CN1CCC[C@H](Cn2cncn2)C1 69737487 HIPAGCVOMGPXHJ-KRWDZBQOSA-N 327.432 1.649 0 40 EDAB CCCN(C[C@H]1CCCCO1)C(=O)[C@H]1CCCCN1S(C)(=O)=O 69775458 AFVKSTDJGLVEBZ-HUUCEWRRSA-N 346.493 1.608 0 40 EDAB CS(=O)(=O)c1ccccc1-n1cc(NC(=O)c2ccncc2)cn1 69813855 NJWGJMWTEPOCRB-UHFFFAOYSA-N 342.380 1.923 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)c1nnn(-c2ccccc2Cl)c1C)C(N)=O 69817320 MQPUQMWDHLWEPD-TVQRCGJNSA-N 349.822 1.859 0 40 EDAB CCc1c(C(=O)N2CCN(CCC(C)C)CC2)cnc2cc(O)nn12 69880010 WDGUHVSBBPKUOV-UHFFFAOYSA-N 345.447 1.801 0 40 EDAB CCN(CC)C(=O)CS(=O)(=O)Cc1ccc(-n2cccn2)cc1 69843812 NSWWZXUFTPHHFY-UHFFFAOYSA-N 335.429 1.656 0 40 EDAB Cc1cccc2c1OCC[C@@H]2NC[C@H]1CNc2c(C(N)=O)cnn2C1 69969936 UTSHSSZJEIOLGZ-WFASDCNBSA-N 341.415 1.446 0 40 EDAB CCc1nnsc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69952111 ZSCROYLZSPOSOW-HNNXBMFYSA-N 346.456 1.592 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 69927940 YUVSWIBHNLGOCQ-MRXNPFEDSA-N 336.432 1.159 0 40 EDAB C[C@@H](NC(=O)Nc1ncn(Cc2ccccc2)n1)C(=O)NC(C)(C)C 71854955 XRDSRKFVAYTGLR-GFCCVEGCSA-N 344.419 1.751 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)c3ncnc4c3cnn4C)C2)no1 71859526 LBLRQLQMINENLO-GFCCVEGCSA-N 342.407 1.156 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)NCc2cn3ccccc3n2)c1C 8719697 HMJRFPBCIQUABZ-UHFFFAOYSA-N 326.356 1.996 0 40 EDAB O=C(CSc1nnc(Nc2ccccc2)s1)N1CCNC1=O 8762289 NLNIUPZXNOZPLV-UHFFFAOYSA-N 335.414 1.926 0 40 EDAB CN1C[C@H](C(=O)NCCc2ccc(Br)cc2F)CC1=O 71888111 KGRDEULFFQQFQY-SNVBAGLBSA-N 343.196 1.725 0 40 EDAB C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCn2ccnc2C1 97201180 VVJNLBGHNHKREO-DZGCQCFKSA-N 326.400 1.727 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)NC1CCN(CC2CCCCC2)CC1 72270202 GZHFQFRREZUCDU-AWEZNQCLSA-N 336.480 1.561 0 40 EDAB COC[C@H](O)CN1CCN(CCOc2cccc3ccccc23)CC1 72404674 LZGGJPHEYVODDE-GOSISDBHSA-N 344.455 1.844 0 40 EDAB Cc1ccccc1C[C@H](C)NC(=O)CN1CCCN(C(N)=O)CC1 84235664 DYVXPXLFRSYUFE-HNNXBMFYSA-N 332.448 1.129 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CCCN(c3ccccn3)C1)C2 97199246 NRRQWXAGMMENON-JKSUJKDBSA-N 339.443 1.934 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2nc(C)c3ccccc3c2=O)C[C@H]1N(C)C 84735541 VAGSYSWYTGXKIZ-RHSMWYFYSA-N 342.443 1.504 0 40 EDAB CC(C)N(C)S(=O)(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 95433016 AWTJXXSKXVPRRN-CYBMUJFWSA-N 325.434 1.246 0 40 EDAB Cc1nc2ncnn2c(Sc2nnc(CN3CCCC3)o2)c1C 95408818 JGRZPCATEOKDPB-UHFFFAOYSA-N 331.405 1.871 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(c2cncc(-c3ccccc3)n2)C1 95464255 QBKRUSDLKRVEDZ-AWEZNQCLSA-N 346.456 1.909 0 40 EDAB O=C(c1cn(-c2ccccc2)nn1)N(CCCO)Cc1ccncc1 95430228 VMCWURFYFZTVQJ-UHFFFAOYSA-N 337.383 1.687 0 40 EDAB Cc1n[nH]c(=O)c(CNC(=O)c2cc(Br)cn2C)c1C 95403531 HHODLHLUJYYNNO-UHFFFAOYSA-N 339.193 1.418 0 40 EDAB Cc1c(Br)cccc1C(=O)N1CCOC[C@@H]1C(=O)O 88440459 VZNBQGQOCGJHKR-LLVKDONJSA-N 328.162 1.683 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCn1ccnc1 95943115 MSMBPBSOTYUIHD-WBVHZDCISA-N 327.432 1.703 0 40 EDAB CCc1nc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c[nH]1 89279823 SRYAWIBDWOTSRP-DLBZAZTESA-N 340.427 1.698 0 40 EDAB CN(Cc1ccco1)C(=O)[C@H]1COCC(=O)N1Cc1ccccc1 89363698 ZXLQBVNZBXWBGO-MRXNPFEDSA-N 328.368 1.666 0 40 EDAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(N3CCNC3=O)CC2)cc1 89439056 OPRJNAZKPGKDSU-DLBZAZTESA-N 343.427 1.815 0 40 EDAB CS(=O)(=O)CCNC(=O)c1conc1-c1ccc(Cl)cc1 89484325 ZWZUAPDSZIGALX-UHFFFAOYSA-N 328.777 1.769 0 40 EDAB CCOc1cc(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)ccn1 75111115 LXQAPKVZAXSZTK-UHFFFAOYSA-N 330.388 1.785 0 40 EDAB Cc1cc(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)no1 89604876 WCWHFMKWCKBRCK-OAHLLOKOSA-N 329.356 1.027 0 40 EDAB O=C(NCCCN1CCCCCC1=O)NCc1nnc2ccccn12 89878872 CIQQRUNBUFRYBM-UHFFFAOYSA-N 344.419 1.321 0 40 EDAB Fc1cnc(N2Cc3ccnn3C[C@H](CN3CCCCC3)C2)nc1 306133616 MQXMHWWZKPLCTO-CQSZACIVSA-N 330.411 1.935 0 40 EDAB CCOC(=O)c1cccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409381289 FDYAIOMNHOBMFG-UHQDVWGKSA-N 345.351 1.846 0 40 EDAB COCCNc1ncc2c(n1)[C@H]1CN(c3ncc(C)cn3)C[C@@H]1C2 306128004 GNPSFTVVCAKTTH-KBPBESRZSA-N 326.404 1.409 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@H]2COc1ccccn1 306132384 LHAFCYOYJJCJPE-ZDUSSCGKSA-N 326.418 1.290 0 40 EDAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 32611143 CNMFOSXPRAMORZ-RKDXNWHRSA-N 339.339 1.075 0 40 EDAB CN(C)CC(=O)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 72378035 LAOCZTKPCCYWBN-CQSZACIVSA-N 341.419 1.625 0 40 EDAB CCN(CC)C(=O)[C@H]1CCCN(CN2C(=O)c3ccccc3C2=O)C1 32222187 PZGMSLVMTHGBHH-AWEZNQCLSA-N 343.427 1.821 0 40 EDAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@H](Oc2cnsn2)C1 675007999 LCPFXKKXLCLWQS-XOVSCCBYSA-N 337.426 1.992 0 40 EDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cn1ccc(C(F)(F)F)n1 79042261 OZCPCHSZAIPISZ-SECBINFHSA-N 341.355 1.184 0 40 EDAB CC(C)[C@H](N)C(=O)NCc1ccccc1I 79420981 GMGYIOBSFWDMEC-NSHDSACASA-N 332.185 1.891 0 40 EDAB Cc1ccc(F)c(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1F 565514946 ZRMIUROWTXVXIC-HSMVNMDESA-N 338.354 1.829 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNCCCN1CCOCC1 83264780 FKNVTSCGGSVESU-OAHLLOKOSA-N 327.469 1.698 0 40 EDAB CN(C)C(=O)CCNC(=O)NCc1ccc(N2CCCCCC2)nc1 45875180 ZCXRLWZVTBRZHI-UHFFFAOYSA-N 347.463 1.740 0 40 EDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCC1=CCCCC1 223841462 HCGXWFJWNYUQJC-UHFFFAOYSA-N 334.397 1.448 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2c[nH]c3ccccc23)CC1 223395027 FJRWRYMHTHZEOD-KRWDZBQOSA-N 340.427 1.433 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NCC[C@@H](O)c1ccco1 77111723 JIRBMXNJUWRXOF-LLVKDONJSA-N 329.349 1.829 0 40 EDAB COC(=O)[C@H]1C[C@H](N2CCC(N(C)c3ccccc3)CC2)[C@H](O)C1 195535712 MWXZCIWSPROVKE-JCGIZDLHSA-N 332.444 1.900 0 40 EDAB Cc1nn(C)c2nccc(N3CC[C@@H](n4cc(C(=O)O)nn4)C3)c12 575244809 BWBZTFHDZRKWOT-SNVBAGLBSA-N 327.348 1.018 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)NCc2ccc(F)cc2)C1 225389821 IJSZOKAHXZGUFW-AWEZNQCLSA-N 346.362 1.987 0 40 EDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCS(=O)(=O)C1 40466533 HHOFPGGLZIIKHM-JTQLQIEISA-N 344.820 1.172 0 40 EDAB COc1ccc(-c2noc(C(=O)N3CCN(C)CC3)c2[C@H](C)O)cc1 225430159 KDMVCNHGZJBMQX-LBPRGKRZSA-N 345.399 1.791 0 40 EDAB biogenic,in-vitro Cc1nc(CN2C[C@]3(CCN(C(=O)[C@H]4CCCO4)C3)CC2=O)cs1 96239384 BSPGJFAEKAMALA-RHSMWYFYSA-N 349.456 1.582 0 40 EDAB O=C(CC1CC1)N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 96189804 PTKCGZFWDDASMJ-INIZCTEOSA-N 340.427 1.519 0 40 EDAB CCc1noc(C)c1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 331903982 JVNDIEOSLHGROT-UHFFFAOYSA-N 349.416 1.888 0 40 EDAB CO[C@H]1COC2(CCN(S(=O)(=O)c3ccccc3F)CC2)C1 96206815 CXFMKCCLXCUMDT-GFCCVEGCSA-N 329.393 1.784 0 40 EDAB CC(C)[C@@H](NC1CCOCC1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 96436390 FBXRACCNJCCJQQ-SJLPKXTDSA-N 337.508 1.913 0 40 EDAB c1cnc(N[C@H]2CO[C@@]3(CCCN(CC4CCOCC4)C3)C2)nc1 96048406 KKTUIYXYBNMSEK-AEFFLSMTSA-N 332.448 1.939 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(c2ncccn2)C1 96038958 KMKLJTCIXNTFEL-BPLDGKMQSA-N 325.372 1.494 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)N[C@@H]2CCc3ccc(F)cc32)cn1 96421542 RXQMSDUFMWURGM-NVXWUHKLSA-N 332.379 1.753 0 40 EDAB COc1ccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)c(F)c1 580160882 KVCACXIFHKDHFX-ZDUSSCGKSA-N 325.336 1.692 0 40 EDAB C[C@@H]1CN(C(=O)Nc2cnc(N(C)C)nc2)CCN1CC(F)(F)F 96485984 VJUDFRNGRJKOOD-SNVBAGLBSA-N 346.357 1.643 0 40 EDAB Cc1cnc(C(=O)N2CCc3ncnc(-c4cccnc4)c3CC2)cn1 96255325 MFUPJNDJGQXFBL-UHFFFAOYSA-N 346.394 1.878 0 40 EDAB Cc1ccc([C@@H]2[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)OCC(=O)N2C)cc1 96181537 VQEGXBROURYMGR-LTCOOKNTSA-N 346.427 1.529 0 40 EDAB Cn1cc(C(=O)C[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)cn1 90446945 SRISURQHNJTFCI-INIZCTEOSA-N 347.440 1.987 0 40 EDAB O=C(c1c[nH]cn1)N1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@H]21 96250056 XJUGCUJFKQXMDZ-USXIJHARSA-N 342.399 1.641 0 40 EDAB COc1cc(N2C[C@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)ncn1 96040958 IGPCZEOQNGQCID-WWGRRREGSA-N 346.362 1.835 0 40 EDAB Cc1ccc(CN2CC[C@H]3O[C@H](C(=O)NCc4nccn4C)C[C@H]32)o1 96055604 XIEDALRHUGEIIA-OAGGEKHMSA-N 344.415 1.370 0 40 EDAB COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccoc1)CC2 247888444 SHALTNIPENOQPO-HNNXBMFYSA-N 342.461 1.400 0 40 EDAB Cc1ccc(N2CC3(CC[C@H](CNc4ncccn4)CO3)C2)nn1 247943762 VKYLDRVBTDHLPE-CQSZACIVSA-N 326.404 1.673 0 40 EDAB Cn1cc(CN2[C@H]3CC[C@H]2Cn2c(nc4ccccc4c2=O)C3)cn1 248102042 FCPMPOKRPUKLGO-GJZGRUSLSA-N 335.411 1.719 0 40 EDAB O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2CC1CCOCC1)c1ccco1 247507018 RTQBRMNUMUWYSQ-JZXOWHBKSA-N 348.443 1.915 0 40 EDAB COCCS(=O)(=O)N1CCN(c2c(C)cccc2Cl)CC1 585083740 DVXYMOZNAZONHB-UHFFFAOYSA-N 332.853 1.747 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24536582 ZJBIWHGNBDUIAK-CYBMUJFWSA-N 339.351 1.480 0 40 EDAB CCN(CCS(C)(=O)=O)Cc1ccc(Br)nc1N 585117248 WCHNYJNCFUOYEP-UHFFFAOYSA-N 336.255 1.293 0 40 EDAB Cc1cnc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)s1 257262928 LNRCSVCXNRYXPU-LLVKDONJSA-N 326.447 1.753 0 40 EDAB NC(=O)C1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 24615592 GAKMPKGBMNRPJM-UHFFFAOYSA-N 338.791 1.378 0 40 EDAB CC(C)[C@H](CNC(=O)[C@H]1COCCO1)N1CCc2ccccc2C1 24622391 TZCCYWKEVBDRHZ-ZWKOTPCHSA-N 332.444 1.601 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1 257322614 WGRWEGDFYIQVDD-HNNXBMFYSA-N 346.431 1.426 0 40 EDAB CCCN1CCN(C(=O)c2cc([C@@H]3CCCN(C)C3)nc(C)n2)CC1 257284984 PFDRLDWHTOEUAC-MRXNPFEDSA-N 345.491 1.762 0 40 EDAB Cc1noc(C)c1C(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 257291076 QFNNBSZGWMPIFW-KRWDZBQOSA-N 348.378 1.587 0 40 EDAB O=C(Nc1ccccc1)NC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 262748399 JBLRUNWPAGQANN-KGLIPLIRSA-N 331.372 1.520 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccnc(O)c32)cc1 378064711 ZYUUNQUORMKYQL-UHFFFAOYSA-N 348.380 1.715 0 40 EDAB Cc1cccnc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 9322745 GAOQROZHGHDXNT-SJCJKPOMSA-N 330.388 1.829 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2cnc(NCCCO)c(Cl)c2)C[C@H]1C 1615045895 GLFZALKEYNCNSE-GHMZBOCLSA-N 347.868 1.806 0 40 EDAB C[C@@]1(C(F)(F)F)CN(C(=O)c2cnn3ccc(N)cc23)CCO1 1615550678 YUMIXLZJSPCXNE-ZDUSSCGKSA-N 328.294 1.710 0 40 EDAB CCCCn1nnnc1Cn1ccn2nc(C(F)(F)F)cc2c1=O 1616036382 KZFZICGDYIALDD-UHFFFAOYSA-N 341.297 1.350 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCc1nc(N(C)C)nc(N(C)C)n1 575413802 KKCBLJZBOIYVJZ-LBPRGKRZSA-N 344.419 1.087 0 40 EDAB Cn1c(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)nnc1C1CC1 585113388 YZPPXJGHPYSBRA-CYBMUJFWSA-N 343.362 1.823 0 40 EDAB COC[C@@H]1CN(C)C2(C1)CN(S(=O)(=O)c1ccccc1F)C2 585093889 NAEZNCHXXORXQG-LBPRGKRZSA-N 328.409 1.167 0 40 EDAB O=C(CCc1cc(O)no1)N1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 585276167 KOVQWOQWWPLZJS-CZUORRHYSA-N 348.374 1.904 0 40 EDAB Cc1c(S(=O)(=O)N2C[C@@H](C)NCc3ccc(F)cc32)cnn1C 584401368 SUVMGLIFDSGCAA-SNVBAGLBSA-N 338.408 1.555 0 40 EDAB C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccccn1 29442229 WAWDBASFLMFQAN-MLGOLLRUSA-N 337.383 1.379 0 40 EDAB CC(=O)Nc1cccc(C(=O)NC[C@@H](O)COc2ccc(F)cc2)c1 68118277 FRSICVAOQQXKLE-MRXNPFEDSA-N 346.358 1.954 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)c1cc(F)cc(F)c1 68496731 ZKHRXRIXUCOQTQ-UHFFFAOYSA-N 332.372 1.414 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)CCNS(C)(=O)=O)cc1 47667863 WFWVAXUENVZDLP-CQSZACIVSA-N 326.418 1.298 0 40 EDAB COc1ccc(C)cc1CN1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 76058727 KFBIQTUEYXGOFU-KBXCAEBGSA-N 331.416 1.814 0 40 EDAB Cc1nsc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)n1 96429188 BFYHZVNIZCSSKZ-UHFFFAOYSA-N 343.456 1.558 0 40 EDAB COC[C@H](C)NC(=O)Cn1nc(-c2ccc(C)s2)cc(N)c1=O 19217492 FZKVQRQXHASMBS-VIFPVBQESA-N 336.417 1.014 0 40 EDAB COCCNc1nc(C2CCN(C)CC2)nc2c1CN(C(C)=O)CC2 19711487 OEZVHFNRZDAPHN-UHFFFAOYSA-N 347.463 1.249 0 40 EDAB Cc1nc(S(=O)(=O)N2CCC(Oc3ccncc3)CC2)cn1C 252483270 DYEKADSDBCJRDA-UHFFFAOYSA-N 336.417 1.356 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)NCc2cncc(C3CC3)c2)CC1 575606712 QOORCYFIDHVLEU-UHFFFAOYSA-N 337.445 1.247 0 40 EDAB O=C1[C@H]2CN(c3ccnc(C4CC4)n3)C[C@@H]2C(=O)N1c1ccccc1 1888854139 YTAMYBRVMJRHSP-GJZGRUSLSA-N 334.379 1.980 0 40 EDAB Cc1ccc(N2C[C@@H]3CN(Cc4nc(C(C)C)no4)C[C@@H]3C2)nn1 1888856803 HWZKDPBTHYKKGQ-OKILXGFUSA-N 328.420 1.860 0 40 EDAB O=S1(=O)CC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 35355199 GJMTVQFQEHFJGU-VIFPVBQESA-N 325.358 1.282 0 40 EDAB COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(OC2CCOCC2)nc1 244947599 DNWMRONFBHWMFP-HNNXBMFYSA-N 348.399 1.807 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCn2nc3c(c2C1)CCC3 245187651 ZSCXOVURKRCVQE-UHFFFAOYSA-N 338.367 1.322 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CCCN([C@@H]2CCOC2)CC1 1565522263 LXLCFOCVEXLEJX-OAHLLOKOSA-N 342.436 1.619 0 40 EDAB O=C(N1CCOC2(CCN(Cc3ccncc3)CC2)C1)C1(F)CC1 1565544453 LHDLSPRKIAPXON-UHFFFAOYSA-N 333.407 1.777 0 40 EDAB Cc1ncnc(C(=O)N2CCc3ncnc(-c4cncnc4)c3C2)c1C 1565556113 XHFPOHKZLRVFPD-UHFFFAOYSA-N 347.382 1.539 0 40 EDAB COc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC(C(N)=O)CC1 12444046 ZQYMUKAIEXVOBS-UHFFFAOYSA-N 346.362 1.358 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2ccc(OC)cc2)C1 2055771884 GRRQXKDXQGLICL-GOSISDBHSA-N 342.399 1.269 0 40 EDAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(=O)CCOC)CC1 2055750587 IJZDQVXTNQDKLX-UHFFFAOYSA-N 349.431 1.251 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCOC[C@]23CC(C(=O)NC(C)C)=NO3)o1 2055793294 LRTUNQQBNZIYLO-WMLDXEAASA-N 349.387 1.146 0 40 EDAB CCOc1ccc(CNC(=O)[C@H](C)n2nc3c(cc2=O)CCC3)cn1 575619757 LCVLBAXAPIHFOD-LBPRGKRZSA-N 342.399 1.403 0 40 EDAB Cc1cc(NC(=O)CN2c3ccccc3N(C3CC3)S2(=O)=O)no1 585147794 UBIPJBRQQFAFGM-UHFFFAOYSA-N 348.384 1.655 0 40 EDAB O=c1cc2c(nn1CC1CN(c3ncnc4ccsc34)C1)CCC2 585603938 QMBSXWXGQHCEFH-UHFFFAOYSA-N 339.424 1.873 0 40 EDAB O=C(NC1CC1)C1CCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1 363081816 OCBKHLKAGDRKKR-LBPRGKRZSA-N 333.354 1.140 0 40 EDAB CN(Cc1ccccc1)C(=O)Cn1nnc(COc2ccccc2)n1 50823360 JRUDNPYFMYZLJK-UHFFFAOYSA-N 337.383 1.911 0 40 EDAB Cc1c(C)c(C)c(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)c(C)c1C 51164276 XHUTWYWJUYXMNK-AWEZNQCLSA-N 340.445 1.104 0 40 EDAB CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc(C(=O)OC)ccc1C 32072996 WACFZWWFFYBJHV-ZDUSSCGKSA-N 342.461 1.790 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](c1cccs1)C1CCCC1 32397219 GSXQSPSJVQGRKJ-HNNXBMFYSA-N 333.413 1.646 0 40 EDAB COc1ccc(CCN(CCC(=O)O)CCC(=O)O)cc1OC 2633246 XPTIVTPBXAJIBG-UHFFFAOYSA-N 325.361 1.498 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@@H](c2cccc(F)c2)N1 12113418 KZLQTEGPKPTQSG-SWLSCSKDSA-N 331.347 1.455 0 40 EDAB CC(C)[C@H](C(=O)N1CC[C@H](C(N)=O)C1)S(=O)(=O)C1CCCCC1 103071012 GCRBRWXMBARJGQ-GXTWGEPZSA-N 344.477 1.092 0 40 EDAB Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(-c3nnnn3C)c2)o1 76061895 YBHYGTXGBMOVCT-NSHDSACASA-N 347.400 1.818 0 40 EDAB CS(=O)(=O)[C@@H]1CSCCN1C(=O)/C=C/c1c(F)cccc1F 76042014 LIKPOTFOUJCLBW-VBROQKIQSA-N 347.408 1.924 0 40 EDAB Cn1cc(S(=O)(=O)NC(=O)c2ccc(-c3ccccc3)n2C)cn1 76089788 FSPOYEPWYRCJSD-UHFFFAOYSA-N 344.396 1.544 0 40 EDAB Cc1n[nH]c([C@H]2CN([C@@H]3CCN(c4ccccc4F)C3=O)CCO2)n1 76048618 BVKXDJOCFGIKFF-HUUCEWRRSA-N 345.378 1.431 0 40 EDAB CS(=O)(=O)Nc1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 53086605 HDUJJENIHQUYSI-UHFFFAOYSA-N 345.380 1.110 0 40 EDAB Cc1ccc2nc(C)c(C(=O)O[C@@H](C)C(=O)N3CCNC3=O)cc2c1 22019835 GYVOCLPZXGHSAZ-LBPRGKRZSA-N 341.367 1.949 0 40 EDAB CC(=O)N[C@@H](C(=O)NC[C@](C)(O)c1cc(C)oc1C)C1CCCC1 78964010 SDGUKQGWHCUZIT-AEFFLSMTSA-N 336.432 1.915 0 40 EDAB Cc1cc(C)cc(OCC(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1 79018926 ATZIRPIQRDAYMF-KRWDZBQOSA-N 332.444 1.863 0 40 EDAB COC(=O)[C@@H](C)CC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 79110296 REIPVRKIFFNKFQ-ZDUSSCGKSA-N 347.415 1.998 0 40 EDAB COc1cccc(-c2noc(C3CCN(S(C)(=O)=O)CC3)n2)c1 4568778 ZAKKENBUSCIPRH-UHFFFAOYSA-N 337.401 1.884 0 40 EDAB COc1c2c(cc3c1OCO3)[C@@]13C=C[C@@H](OC)C[C@@H]1N(C2)C[C@@H]3O 8674099 QAHZAHIPKNLGAS-RXUCDUSASA-N 331.368 1.195 0 40 EDAB COC(=O)c1ccc(OCCN2C(=O)NC3(CCCC3)C2=O)cc1 53109259 UBCKBPAXKRRQMI-UHFFFAOYSA-N 332.356 1.717 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCS(=O)(=O)C1 42872312 DSQNHIATBYVWKP-GFCCVEGCSA-N 340.401 1.134 0 40 EDAB O=C(NCCN1CCCCCC1=O)c1cnn(-c2ccccc2)n1 42923460 MHRHMGHXINEUSV-UHFFFAOYSA-N 327.388 1.400 0 40 EDAB O=C(CSCC(=O)N1CCC[C@H]2CCCC[C@H]21)N1CCOCC1 43010299 ANZCPGQZTFOMSE-HUUCEWRRSA-N 340.489 1.760 0 40 EDAB COCCOCCCNC(=O)C[C@H](NC(C)=O)c1cccs1 47630897 ZYZKCJPDRJDTEI-ZDUSSCGKSA-N 328.434 1.485 0 40 EDAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)CNC(=O)C1CC1 56111598 FAGOCNXCEZAZMA-OLZOCXBDSA-N 339.436 1.465 0 40 EDAB Cc1cc(C)cc(OCCNC(=O)CCSc2nnnn2C)c1 56276981 CIKVXSSKONZONF-UHFFFAOYSA-N 335.433 1.504 0 40 EDAB CC(C)C(=O)N1CCC(NC(=O)NCc2ccc3c(c2)OCO3)CC1 26380518 QWQBARQGFUFPGA-UHFFFAOYSA-N 347.415 1.862 0 40 EDAB Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO[C@H]3CN(C)C)C2)c1 107201734 CMHFWXTVVRJGBR-OIISXLGYSA-N 338.473 1.582 0 40 EDAB COCCN(CCOC)C(=O)COC(=O)c1ccc(Cl)c(N)c1 3297269 DUPTUFRSENXHKM-UHFFFAOYSA-N 344.795 1.200 0 40 EDAB O=S(=O)(N1CCCCC1)N1CCO[C@@H](c2ccc(F)cc2)C1 44783193 UCWDHGVDUJVKJB-OAHLLOKOSA-N 328.409 1.930 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1 24092597 OOXAXJMGDKBOBL-UHFFFAOYSA-N 330.369 1.474 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N(Cc2ccccn2)C2CC2)c1 44870807 VDNZWQFSYWTYOC-UHFFFAOYSA-N 345.424 1.795 0 40 EDAB CCNC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 58208622 TUUPULILTFDEJH-INIZCTEOSA-N 331.464 1.645 0 40 EDAB C[C@H](NC(=O)CCc1nc(-c2nc[nH]n2)no1)c1ccc(F)cc1F 58281764 WTQGUFBABMIXFD-QMMMGPOBSA-N 348.313 1.943 0 40 EDAB CCS(=O)(=O)Nc1ccccc1C(=O)NCCCOCC1CC1 58283006 UJNYZWYSPWKTIN-UHFFFAOYSA-N 340.445 1.995 0 40 EDAB C[C@H](Sc1nc(O)c2cc(F)ccc2n1)C(=O)N1CCOCC1 58290262 KRRJPTQPXILLOL-VIFPVBQESA-N 337.376 1.814 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)o1 44918416 ZKRFMQZTLDFBLG-UHFFFAOYSA-N 343.449 1.227 0 40 EDAB CCN(CC)[C@H](CNS(=O)(=O)c1cnn(C)c1)c1ccccc1 44937257 QKHUEUPUTGKDGI-MRXNPFEDSA-N 336.461 1.782 0 40 EDAB Cc1cc(NCc2cc(=O)n3cccc(C)c3n2)ccc1-n1cnnn1 44908085 PWOLNEDWRVNNMM-UHFFFAOYSA-N 347.382 1.899 0 40 EDAB O=C(NCCCn1cccn1)[C@H]1CCCN1C(=O)C1CCCCC1 44949767 LXUFUHBHBRVFHH-MRXNPFEDSA-N 332.448 1.961 0 40 EDAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-n3cncn3)nc2)C1 24894911 AOZZPZAGTKDLFH-GFCCVEGCSA-N 344.375 1.469 0 40 EDAB CC(=O)NCC1CCN(S(=O)(=O)c2cccc3ncccc23)CC1 58304594 OYUFEWCGKZEDOO-UHFFFAOYSA-N 347.440 1.772 0 40 EDAB CCOC(=O)[C@H]1C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]1N2C 100544342 DDQLSUNZALBDML-DMDPSCGWSA-N 326.393 1.058 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 29190331 VXLVAEGATFSKKO-ZIAGYGMSSA-N 340.445 1.303 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCOc2ccc(F)cc2)C1 29204529 RWFQQJBUIYZLIF-CYBMUJFWSA-N 344.408 1.135 0 40 EDAB CCOC(=O)NC(=O)COC(=O)c1ccc(OC(F)F)c(OC)c1 3333255 SLGWEUWFQYUZHE-UHFFFAOYSA-N 347.270 1.726 0 40 EDAB C[C@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)[C@H]1CCCO1 48306915 VAYHZEAFLZIOEQ-XJKSGUPXSA-N 329.404 1.693 0 40 EDAB O=C1CN(C(=O)Cc2n[nH]c(=O)c3ccccc23)c2ccccc2N1 12810749 GMQWMUVTFJPVKP-UHFFFAOYSA-N 334.335 1.451 0 40 EDAB Cc1nc(=O)[nH]c(C)c1CCC(=O)NC1(C)Cc2ccccc2C1 92613804 TZZOLKSAAVKZOC-UHFFFAOYSA-N 325.412 1.993 0 40 EDAB CCN(CC)CCCn1c(O)nc2sc(C(=O)O)c(C)c2c1=O 8914673 YWBLRGJWYQOFJT-UHFFFAOYSA-N 339.417 1.902 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNCc1ccc(N(C)C)nc1 65479628 FUJUHUXUPNWEFB-UHFFFAOYSA-N 344.463 1.316 0 40 EDAB NC(=O)CN(CC(=O)NCc1cc(F)cc(F)c1)C1CCCC1 65490958 GFYMCKVOVVHTAQ-UHFFFAOYSA-N 325.359 1.311 0 40 EDAB O=C(N[C@H]1CCCN(c2cccc(F)c2)C1=O)N1CCC[C@@H](CO)C1 71909620 BHBUNIGWVQMJLT-CJNGLKHVSA-N 349.406 1.735 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NCc1ccc2c(c1)OCO2 4498360 DPDOSTVRTWGJQT-UHFFFAOYSA-N 342.351 1.357 0 40 EDAB O=C(NC[C@]1(O)CCOC1)Nc1ccc2[nH]c(C(F)F)nc2c1 93351403 FWJLOYVGTKKKFP-CQSZACIVSA-N 326.303 1.773 0 40 EDAB CC(C)[C@@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)n1cncn1 65553126 CDZFXXXVDWHVKQ-HNNXBMFYSA-N 348.838 1.872 0 40 EDAB CCOc1ncccc1C(=O)Nc1ccc(N2CCOCC2)nc1 14170345 YDEXKKOFUVMHCY-UHFFFAOYSA-N 328.372 1.964 0 40 EDAB Cc1ccc(C)c(N(CC(=O)NCC(C)C)S(=O)(=O)N(C)C)c1 20244540 QUOMYPWRNCAROJ-UHFFFAOYSA-N 341.477 1.688 0 40 EDAB CN(CC(=O)NC(=O)NC(C)(C)C)C[C@H]1COc2ccccc2O1 14124839 GVFXHKPBYDMQRB-LBPRGKRZSA-N 335.404 1.383 0 40 EDAB COC(=O)c1cccc(NC(=O)CN(C)C(=O)c2cccs2)c1O 65603814 PHQZXFPSCPUXQW-UHFFFAOYSA-N 348.380 1.951 0 40 EDAB Cc1nc(N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c2cnn(C)c2n1 71905676 SWDMIKURPMSNOD-CQSZACIVSA-N 340.431 1.677 0 40 EDAB O=C(CSCC(=O)N1CCOCC1)NCCc1ccc(F)cc1 6602119 LWFYKBKFLLMCKY-UHFFFAOYSA-N 340.420 1.076 0 40 EDAB CC(=O)N(CCC(=O)NCc1n[nH]c(=S)n1C)Cc1ccccc1 66626402 XYUYNIZFCPSNEE-UHFFFAOYSA-N 347.444 1.533 0 40 EDAB CCn1c(S[C@H]2CCOC2=O)nc2cc(S(N)(=O)=O)ccc21 6977196 DHDXXIPIYBPGFF-NSHDSACASA-N 341.414 1.111 0 40 EDAB CCc1nc2ccccc2c(C(=O)OCC(=O)N2CCNC2=O)c1C 4977501 KPWHOFQICFGIPX-UHFFFAOYSA-N 341.367 1.814 0 40 EDAB C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1 15767127 FUCGAMAQUNINDJ-QMMMGPOBSA-N 342.182 1.721 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)no1 67887396 JRMOHUYGFXEWTB-NWDGAFQWSA-N 332.404 1.349 0 40 EDAB CCC(C)(C)NC(=O)CSc1nnc(-n2nc(C)cc2C)n1N 7531023 VGEOHWCDDBCRAH-UHFFFAOYSA-N 337.453 1.191 0 40 EDAB CN(Cc1ccccc1)C(=O)NCCS(=O)(=O)NCC1CCC1 69125483 NYKDGNIYYLVTOZ-UHFFFAOYSA-N 339.461 1.548 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)NC(=O)NC1CCCCC1 8244366 JSHURTPRMFJUNN-UHFFFAOYSA-N 334.401 1.617 0 40 EDAB Cc1noc(CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)n1 69348228 QGECGJKFEGDUPX-QGZVFWFLSA-N 326.356 1.834 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCc2c(ncn2C2CC2)C1 69386911 KAOMYGFGGOUCGQ-UHFFFAOYSA-N 328.420 1.565 0 40 EDAB CCc1ccc(OCC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 8339398 UTBJXARWIUMTOT-KRWDZBQOSA-N 340.379 1.907 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 8379750 VUGXTWZYFIHFBD-BXUZGUMPSA-N 342.848 1.829 0 40 EDAB CC(C)NC(=O)CCNC(=O)c1cn(CCN(C)C)c2ccccc12 69457475 FNMZLFLNPZRTLT-UHFFFAOYSA-N 344.459 1.847 0 40 EDAB CCc1nnc2n1CCN(C(=O)C[C@@H](NC(C)=O)c1cccs1)C2 69489255 HULZZBOKEYZBBQ-GFCCVEGCSA-N 347.444 1.512 0 40 EDAB O=C(CC1CCCCC1)N1CCN(C(=O)NCCn2ccnc2)CC1 69594174 PZWGRVYSMWCYDC-UHFFFAOYSA-N 347.463 1.707 0 40 EDAB O=c1ccccn1CCN1CCN(C[C@H](O)c2ccccc2)CC1 69624524 GDNQSNFHAJBLQF-SFHVURJKSA-N 327.428 1.200 0 40 EDAB Cc1ccc2nc(CN3CCC[C@H](Cn4cncn4)C3)cc(=O)n2c1 69625129 BPQTVHUDFRKBFQ-HNNXBMFYSA-N 338.415 1.507 0 40 EDAB CCC[C@@](C)(NCC(=O)Nc1cccc(C(=O)OC)c1)C(=O)OC 69699772 YQFRKNLGHMSSOT-QGZVFWFLSA-N 336.388 1.733 0 40 EDAB Cc1cn2nc(NC[C@H](O)CN3CCc4ccccc4C3)sc2n1 71810952 QREQCUUFZXBOLC-HNNXBMFYSA-N 343.456 1.930 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCCc1ccc2c(c1)OCCO2 18073522 FIURCRHYHNLNDJ-UHFFFAOYSA-N 340.379 1.547 0 40 EDAB CN(CC(=O)N[C@H](c1ccc(F)cc1)C1CCC1)S(C)(=O)=O 69893602 KTHAUPIHLROJLU-HNNXBMFYSA-N 328.409 1.675 0 40 EDAB Cc1ccccc1OC[C@@H](O)CN1CCN(Cc2cnn(C)c2)CC1 69816680 GEWDUMXEUTTYIN-SFHVURJKSA-N 344.459 1.286 0 40 EDAB CC(C)N1CC[C@@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)C1 69898560 BIMUZNBDHWXEME-CABCVRRESA-N 339.505 1.677 0 40 EDAB NC(=O)[C@H](NC(=O)[C@@H]1CCOC1)c1cccc(Br)c1 69927704 BAXDWTVKULTUJA-MWLCHTKSSA-N 327.178 1.128 0 40 EDAB Cc1n[nH]c([C@@H](NC(=O)c2cnc3sccn3c2=O)C(C)C)n1 97010317 BECDBOFHIXFPJV-JTQLQIEISA-N 332.389 1.310 0 40 EDAB COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCN(C)C2)c(C)c1F 97084062 JYAIQDCCWZVKBI-GFCCVEGCSA-N 330.425 1.857 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2c[nH]nc2-c2ccccc2)C1 97051727 DWKUCLCBLMGYMJ-OAHLLOKOSA-N 334.445 1.590 0 40 EDAB CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)C[C@H]1CCCCO1 97014001 JALPKHIKGFWGQB-CHWSQXEVSA-N 342.465 1.725 0 40 EDAB O=C(CNS(=O)(=O)c1ccc2ncccc2c1)NC1CCCCC1 72294556 XNJSMXKWYMWIER-UHFFFAOYSA-N 347.440 1.962 0 40 EDAB CC(C)(C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)n1cc(Cl)cn1 72269546 DETFFZCINNQNHO-ZIAGYGMSSA-N 340.855 1.329 0 40 EDAB CC[C@H]1CN(Cc2nc(-c3cccnc3)no2)CCN1C[C@@H](C)O 72267424 UVYPXAPKLHEBEI-HIFRSBDPSA-N 331.420 1.409 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@H]2CCS(=O)(=O)C2)n1 72279932 LOMZRJOTPPRVDU-LSDHHAIUSA-N 339.461 1.316 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3cn4ccccc4n3)CCO2)n1 72253440 GJWWQMCHFNNPDS-MRXNPFEDSA-N 326.404 1.444 0 40 EDAB NS(=O)(=O)Cc1cccc(-c2nc3cc(F)ccc3c(=O)[nH]2)c1 97371599 HOKQJWARWSKGSQ-UHFFFAOYSA-N 333.344 1.518 0 40 EDAB O=C(O)c1cc2ccccc2cc1NS(=O)(=O)N1CCOCC1 95349436 XFDXFPGHKIUIBC-UHFFFAOYSA-N 336.369 1.527 0 40 EDAB COCC(=O)N[C@H](C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F)C(C)C 84622377 RTUHLVZDKAHMLL-NKFCBESUSA-N 340.370 1.724 0 40 EDAB C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1nnn[nH]1 95421505 BCYXXPSNVOOKMY-LURJTMIESA-N 328.145 1.919 0 40 EDAB O=C(c1cccnc1)N1CCN(c2cc(NCC3CC3)ncn2)CC1 95442048 GJCCWNHPXZIMKH-UHFFFAOYSA-N 338.415 1.656 0 40 EDAB Cc1nc(C)c(CCNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)s1 95436904 QNGBJPRTCVJYQV-CYBMUJFWSA-N 336.461 1.755 0 40 EDAB CN1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 95956504 LQDZHVLTNTXEOA-MRXNPFEDSA-N 331.416 1.582 0 40 EDAB Cn1cc(N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)cn1 74395476 SXJFNIQBCFMPOC-UHFFFAOYSA-N 326.400 1.732 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NC3CC3)CC2)c1 9909989 WWRBYOWMXMCQGP-UHFFFAOYSA-N 337.445 1.482 0 40 EDAB Cc1nc(-c2cccc(C(=O)NCCC(=O)N3CCCC3)c2)n[nH]1 89497134 NOIOWPGRQWUGJK-UHFFFAOYSA-N 327.388 1.522 0 40 EDAB CN(C)c1nc(CNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2)cs1 75092116 XVLUVLHZWIVOPC-NSHDSACASA-N 349.464 1.021 0 40 EDAB Cc1ccc(-c2noc([C@@H](C)N3CCN4C(=O)NC[C@@H]4C3)n2)cc1F 75105984 PDSWFVABYYIATJ-DGCLKSJQSA-N 345.378 1.955 0 40 EDAB O=S(=O)(NCCc1nnc2ccccn12)c1ccc2cn[nH]c2c1 89878862 KAYDWZXVCKAMLO-UHFFFAOYSA-N 342.384 1.127 0 40 EDAB C[C@@H](Cc1ccccc1Br)NC(=O)CSCC(N)=O 89904192 SKSVMILADIWFMW-VIFPVBQESA-N 345.262 1.715 0 40 EDAB CCO[C@@H]1C[C@](O)(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)CN3C2)C1(C)C 1548691139 KSCNBOHWSWQFSA-HLTONANMSA-N 338.492 1.789 0 40 EDAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 409055862 JWNVGKAMARRPQR-DVZHBHJUSA-N 335.743 1.154 0 40 EDAB NC(=O)N1CCCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 408078592 JAUNGFQDPVRYTO-UHFFFAOYSA-N 330.388 1.040 0 40 EDAB C[C@H](CN1CCN(C)CC1)NC(=O)N(C)CC1(c2ccccc2)CC1 188586530 LZLXAIBPLMZDTR-QGZVFWFLSA-N 344.503 1.996 0 40 EDAB Cc1cc(NC(=O)C(=O)N2CCC(N3CC=CC3)CC2)ccc1F 124677327 BNZQOSACFFBLNC-UHFFFAOYSA-N 331.391 1.935 0 40 EDAB COCC(=O)N1CCC[C@@H]1c1cc(Nc2nnc(C)s2)nc(C)n1 72360298 XHRIXCGXDSREKT-GFCCVEGCSA-N 348.432 1.998 0 40 EDAB CS(=O)(=O)N1CC[C@@H](c2ccc(Br)cc2)[C@@H](O)C1 2362797613 UFKCHRQWLNRMQW-RYUDHWBXSA-N 334.235 1.559 0 40 EDAB NC(=O)c1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)CCO2)nc1 72384578 WANGFNSLLFIYAY-OAHLLOKOSA-N 329.331 1.533 0 40 EDAB COC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2)ccc1C 74966450 XHLDRZADJGIBQU-UHFFFAOYSA-N 340.445 1.546 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 45810928 WBSRVXKWJZCYLT-ZDUSSCGKSA-N 347.433 1.474 0 40 EDAB O=C(NCCCc1cnc2ncnn2c1)c1ccc2nsnc2c1 225642163 GOHFSWSMTRHYFF-UHFFFAOYSA-N 339.384 1.492 0 40 EDAB Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)N1CCC[C@@H](C(=O)O)C1 568877363 BAMIGTDHYUWJBO-JOYOIKCWSA-N 345.421 1.026 0 40 EDAB O=C1N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 40166557 FGWICQUBDWIKGF-UWVGGRQHSA-N 331.191 1.144 0 40 EDAB Cc1cc(C(=O)NC[C@H](Cc2cccc(F)c2)N2CCNC2=O)no1 85467736 ULQBJVYJPXMXHX-AWEZNQCLSA-N 346.362 1.488 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)c3snnc3C)n2)cn1 225815995 PTTQWNPYSQJESJ-UHFFFAOYSA-N 346.372 1.620 0 40 EDAB O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H](CO)Cc1ccccc1 80350401 RDAUTVBTUMCBGM-MRXNPFEDSA-N 337.379 1.826 0 40 EDAB C[C@H](C(=O)NS(=O)(=O)Cc1ccccc1)N(C)CC(F)(F)F 194873769 BSYWFCBZWILNCZ-SNVBAGLBSA-N 338.351 1.515 0 40 EDAB c1cncc(CN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)c1 96052366 GAJKUAXIRMEVPE-RTBURBONSA-N 347.459 1.164 0 40 EDAB O=C(c1nc2c(s1)CCN(c1ncccn1)CC2)N1CCOCC1 96264787 VNQRVBOUGFOOAU-UHFFFAOYSA-N 345.428 1.011 0 40 EDAB CC(C)Nc1nc2c(c(N(C)C)n1)CN(C(=O)c1ccncc1)CC2 96254042 ARUUQNHNLLHFSQ-UHFFFAOYSA-N 340.431 1.956 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NC[C@H](O)c2c(F)cccc2F)C1 96483525 HDJSNWHLDGGVDS-MFKMUULPSA-N 334.388 1.565 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(CCCN(c3ncc(F)cn3)C2)C1 96158361 FKOVNESPHONPLB-AWEZNQCLSA-N 328.413 1.258 0 40 EDAB O=C(c1cccc(F)c1)N1CCN(CCOC[C@H]2CCCO2)CC1 96421067 BLXWLKYFFUEVPD-QGZVFWFLSA-N 336.407 1.779 0 40 EDAB COCCC(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159734 YWQIISISOMKNIZ-GOSISDBHSA-N 334.391 1.813 0 40 EDAB O=C(CN1CCO[C@@H](c2nccs2)C1)NCCOc1ccccc1 97203763 UABJUGZDGBPABP-OAHLLOKOSA-N 347.440 1.712 0 40 EDAB Cc1cnc(N2CCc3nc(N4CCCC4)nc(N(C)C)c3C2)nc1 96083696 FMLGVLFVAFONPY-UHFFFAOYSA-N 339.447 1.804 0 40 EDAB CC(C)CN1CC2(CN(Cc3ccccc3)C[C@H]3C[C@@H](O)CN32)C1 514289144 IPWCQPOQFDGYEH-RTBURBONSA-N 329.488 1.648 0 40 EDAB biogenic,in-vitro Cc1cccc(N2CCOC[C@]3(C2)CN(c2ccoc2)C(=O)CO3)n1 96240180 QWWHHDUVSOFEEQ-SFHVURJKSA-N 343.383 1.622 0 40 EDAB CC(C)N(C)C(=O)C1=NO[C@]2(CCN(C(=O)c3ccccn3)C2)C1 96225532 KVPUOPLLLAFCCB-QGZVFWFLSA-N 330.388 1.309 0 40 EDAB CN(C)c1ncnc2c1CCN(c1cc(C(F)(F)F)ncn1)CC2 96255395 AGSGCNADSXJWCL-UHFFFAOYSA-N 338.337 1.957 0 40 EDAB CC(C)CS(=O)(=O)C1CN(C(=O)Cc2c[nH]c3ccccc23)C1 96380137 LKFSBORCDBYQNN-UHFFFAOYSA-N 334.441 1.992 0 40 EDAB CC(C)(COC(=O)c1ccc(N2CCNC2=O)cc1)N1CCNC1=O 585081018 NDOKHLOCHZFPPZ-UHFFFAOYSA-N 346.387 1.177 0 40 EDAB OCCn1ncc2c(NCc3ccc(-n4cccn4)nc3)ncnc21 97199726 RYPMUJHBVBHYPD-UHFFFAOYSA-N 336.359 1.011 0 40 EDAB COCCN1CCO[C@@H]2CN(C(=O)Cc3ccccc3)CC[C@@H]2C1 96249608 VXUXTKFWQPPROO-QZTJIDSGSA-N 332.444 1.425 0 40 EDAB Cc1cc(CN2C[C@H]3OCCN(C(=O)c4cccn4C)C[C@H]3C2)no1 96108071 IXHPZORRKPZBHH-RHSMWYFYSA-N 344.415 1.295 0 40 EDAB CN(C)CCn1c(O)nc2ccc(C(=O)NCCc3ccco3)cc21 585121659 VFPMKLHQIXFNKZ-UHFFFAOYSA-N 342.399 1.869 0 40 EDAB C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)[C@H](C)C1 249155243 WKUXRZXMSSYCKP-HCCHORAYSA-N 328.456 1.804 0 40 EDAB CCc1ccccc1S(=O)(=O)NC[C@H](CO)Cc1cnn(C)c1 585142361 UHTCPKNVYSWESW-CQSZACIVSA-N 337.445 1.112 0 40 EDAB Cc1nn(C)cc1C(=O)N[C@@H](Cc1ccccc1)c1nc(O)n[nH]1 585134049 BIENDNJLYAQXIE-ZDUSSCGKSA-N 326.360 1.266 0 40 EDAB CC(C)C[C@H](CNC(=O)c1cncn1C)CC(=O)O[C@H]1CCOC1 585126057 MUBPQOLJULHTSE-KBPBESRZSA-N 337.420 1.534 0 40 EDAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4OC)C(=O)[C@H]13)O2 248143890 RKTXWYRYYFZZSC-JEWRLFTDSA-N 343.379 1.935 0 40 EDAB CN(C)C(=O)C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247958038 DKZFFYHBFRJNHX-HNNXBMFYSA-N 342.399 1.647 0 40 EDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CN)CO)cc1 242495952 GURMLFBGOVMKKE-FGTMMUONSA-N 331.437 1.872 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1 257322939 WIDBMFFFVPSXKG-HNNXBMFYSA-N 329.404 1.390 0 40 EDAB CCOc1ccc2nnc(CNC(=O)Cc3ccc(F)cc3F)n2n1 253394166 ANKXWLJSFBTEND-UHFFFAOYSA-N 347.325 1.660 0 40 EDAB CCc1ccc(C(=O)N2CCC3(CC2)C[C@H](NC)[C@@](C)(O)CO3)cc1 257343295 ZSHSAFFXLYFGRN-HKUYNNGSSA-N 346.471 1.983 0 40 EDAB Cc1cccnc1C(=O)N(C)C[C@@]1(O)CCCN(c2ncccn2)C1 257231354 GGHJKVXMYHPQKD-SFHVURJKSA-N 341.415 1.284 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)c2ccsc2)cc1 269765309 KXFDEYXPUSEJLG-CQSZACIVSA-N 327.427 1.943 0 40 EDAB CN1CCN(c2ncccc2CNCc2n[nH]c3ccccc23)CC1 589645402 OCVBEJJUSGADMY-UHFFFAOYSA-N 336.443 2.000 0 40 EDAB C[C@H](NC(=O)c1cccc(-c2cnco2)c1)C(=O)N1CCOCC1 1615556566 WERMHZLBYBNZDU-LBPRGKRZSA-N 329.356 1.319 0 40 EDAB Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2cccnc2)c2ccccc21 96096521 LQGLBFPUAQMCHV-INIZCTEOSA-N 338.367 1.362 0 40 EDAB CO[C@@H]1CCN(c2ccc(NC(=O)c3cccn(C)c3=O)cc2)C1 96122202 MIOIMFAMULOYLX-OAHLLOKOSA-N 327.384 1.863 0 40 EDAB COc1ccc(S(=O)(=O)N(CCO)c2cccc(F)c2)cn1 390834762 XOUDGYFNVOVRCP-UHFFFAOYSA-N 326.349 1.417 0 40 EDAB Cn1cc([C@@]2(C)NC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)cn1 578740356 DAGZESXJGOHUES-MRXNPFEDSA-N 328.328 1.086 0 40 EDAB COc1nc(CNC(=O)Nc2cccc(SC)c2)nc(N(C)C)n1 575603671 IAHPKBBYGPUWAP-UHFFFAOYSA-N 348.432 1.990 0 40 EDAB CCOC(=O)[C@H]1CN(C(=O)c2nnsc2C)Cc2ncn(CC)c21 585110662 XKQVLTAJTBQDPK-JTQLQIEISA-N 349.416 1.366 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)CCOc1ccccc1F 585288183 QAKBMROICXUXIN-UNEWFSDZSA-N 341.379 1.482 0 40 EDAB COc1cc(C(=O)N[C@H](C)c2nnc3n2CCC3)cc2c1OCCO2 65621258 KPFZYJKXUIPRDL-SNVBAGLBSA-N 344.371 1.495 0 40 EDAB Cc1cc(C)n(-c2ccc(NCC3(CCO)CCOCC3)nn2)n1 74771569 RTHDOWMLGAWZHP-UHFFFAOYSA-N 331.420 1.870 0 40 EDAB CN(C)CCN(C(=O)c1cccc(-n2cnnn2)c1)C1CCCC1 75582142 NXQCQOMDKXFZIA-UHFFFAOYSA-N 328.420 1.609 0 40 EDAB C[C@@H](Cc1ccsc1)NCCS(=O)(=O)N1CCSCC1 95967810 PQAASPFVOIHQQW-LBPRGKRZSA-N 334.532 1.647 0 40 EDAB O=C(c1cnc[nH]1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 585582692 XRADWBDPRNUWGY-UHFFFAOYSA-N 337.387 1.745 0 40 EDAB COC[C@@H](C)S(=O)(=O)NCCc1ccccc1Br 95960181 XXFVAPCCRYZLOB-SNVBAGLBSA-N 336.251 1.946 0 40 EDAB NC(=O)COc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1 359692 QRGJMHMKSYRGHH-XYOKQWHBSA-N 328.349 1.957 0 40 EDAB CN1C[C@@H](C(=O)NCc2cncn2C)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595601 HIWHDPVRZVCLDK-VYDXJSESSA-N 344.390 1.487 0 40 EDAB CN1C[C@@H](C(=O)NCCn2cccn2)[C@@H]2COc3ccccc3[C@@H]21 1772595897 RMHCIYBQHBJNAT-VYDXJSESSA-N 326.400 1.311 0 40 EDAB O=C(CCNC(=O)c1ccccc1)NCCc1nnc2ccccn12 5451314 XRMCJHLPBVCDPC-UHFFFAOYSA-N 337.383 1.208 0 40 EDAB COc1cccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)c1 12113422 LCKPXXQHNFRCLU-XJKSGUPXSA-N 343.383 1.324 0 40 EDAB Cn1cccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12976465 MZGYPWBXNKMWKL-UHFFFAOYSA-N 333.413 1.172 0 40 EDAB CNc1cc(CCNC(=O)c2ocnc2C)nc(-c2ccncc2)n1 19559614 UBASPLLCNGCDBK-UHFFFAOYSA-N 338.371 1.849 0 40 EDAB Cc1noc(C)c1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19580000 HRNOBIJHEXHFGF-CYBMUJFWSA-N 341.415 1.747 0 40 EDAB Cc1nn(C)cc1NC(=O)CN1CCC(Oc2cnccn2)CC1 19658852 QXUMPCJTANWBOU-UHFFFAOYSA-N 330.392 1.000 0 40 EDAB CN(C)c1ncc(CN2CCO[C@H](C(=O)Nc3ccccc3)C2)cn1 19747632 MTNCWPHKOYTYSF-INIZCTEOSA-N 341.415 1.382 0 40 EDAB Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(N)=O)c(=O)c12 132453 OJJMVWAMMVZHJI-UHFFFAOYSA-N 342.380 1.504 0 40 EDAB COc1ccc2oc(C)c(C(=O)N(C)[C@@H]3COC[C@@H](OC)[C@H]3O)c2c1 643586175 CNOFABFCSASMTL-UNEWFSDZSA-N 349.383 1.597 0 40 EDAB O=C([C@@H]1CN(c2cc(C(F)(F)F)ccn2)CCO1)N1CCOCC1 1889096244 LRCOMILNFPYJLN-LBPRGKRZSA-N 345.321 1.164 0 40 EDAB Cc1cc(C)n(-c2cc(N3CCN(Cc4cccnc4)CC3)ncn2)n1 1889139253 SQLCFRDSGOPWRA-UHFFFAOYSA-N 349.442 1.996 0 40 EDAB O=C(NCC1(C(=O)O)CCOCC1)c1cncc(Br)c1 165939600 NDWRJEAAFXARHH-UHFFFAOYSA-N 343.177 1.455 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(N2C(=O)COC2=O)CC1 245170806 XHDLXNFWJDZGPS-GFCCVEGCSA-N 332.356 1.424 0 40 EDAB O=C(NCc1nc2ccccc2[nH]1)c1cc(N2CCOCC2)ncn1 252485023 GMNHIAPRIBKNGT-UHFFFAOYSA-N 338.371 1.120 0 40 EDAB CC(C)N(C)CC(=O)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1177156229 FSGXHRMAUIBAKD-ROUUACIJSA-N 346.475 1.224 0 40 EDAB Cc1nc(C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCCC3)C2)cs1 1565548916 ISGOQTAXKORVDL-GZBFAFLISA-N 349.456 1.551 0 40 EDAB C[C@H]1CN(c2nc3nonc3nc2N2C[C@H](C)O[C@H](C)C2)C[C@H](C)O1 10337076 XCBQQPPTFMOTFV-FIQHERPVSA-N 348.407 1.240 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(c5ncccc5F)C[C@H]4C3)ncnc21 2086865387 SGNCHWKZTYNOPJ-TXEJJXNPSA-N 339.378 1.470 0 40 EDAB COc1cccc2c1ccn2CCC(=O)N[C@@H]1CCS(=O)(=O)C1 79480656 VFOPYQPBOOFSME-GFCCVEGCSA-N 336.413 1.343 0 40 EDAB CN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1cccnc1 40086472 OBNXHMULULVRQZ-UHFFFAOYSA-N 333.413 1.409 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCCO1 40501174 DBOAMUJJXFBNSI-HIFRSBDPSA-N 334.420 1.285 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)c2ccccc12 40527135 DTDXWCHIJVPSFY-AWEZNQCLSA-N 348.424 1.795 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)N[C@H]1CCCN(c2ncccn2)C1 40553785 WPHDBKCARCVNFB-QWRGUYRKSA-N 332.326 1.529 0 40 EDAB COCCn1nc(C(=O)N[C@H]2CCSc3ccccc32)ccc1=O 32338586 LSIUZWFYNDFJLN-ZDUSSCGKSA-N 345.424 1.857 0 40 EDAB COc1ccc(CN(C)C(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 32674077 TUTSZIPDZMCVNK-CQSZACIVSA-N 326.418 1.078 0 40 EDAB COC(=O)CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C 2627266 JEXUNEGLBLKRLN-CYBMUJFWSA-N 326.780 1.384 0 40 EDAB CC(C)NC(=O)[C@@H](C)OC(=O)CCn1ncc(=O)c2ccccc21 53033095 PEHSJYXXAMFNIP-GFCCVEGCSA-N 331.372 1.243 0 40 EDAB CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)cn2)C1 78771341 WBGLGBVBMLGZEV-CYBMUJFWSA-N 327.388 1.417 0 40 EDAB COC(=O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)Cc1ccccc1 1572595 AQQLCZHPCSXJIN-MRXNPFEDSA-N 349.408 1.596 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc2c1CCCC2 79101484 WPBPQHUNYGERQM-MRXNPFEDSA-N 343.427 1.583 0 40 EDAB C[C@H]1C(=O)C[C@@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]3(O4)[C@H]12 3881788 RQULTYIEQUNDLH-LGGPDTRHSA-N 343.335 1.165 0 40 EDAB COc1ccc([C@H]2[C@@H]3[C@@H](C)NC(=O)N(C)[C@H]3NC(=O)N2C)c(OC)c1 4023669 IVGBQRCBJJPBGS-JUTUQKRISA-N 348.403 1.386 0 40 EDAB CC(C)[C@@H](CNC(=O)/C=C/c1ccc2c(c1)OCO2)N1CCOCC1 41934261 YUHKKSUOSVSHAX-MQDFFIGUSA-N 346.427 1.902 0 40 EDAB COc1ccc(S(=O)(=O)NCCN2C[C@H](C)O[C@@H](C)C2)cc1F 42005135 DYLOPAXXNWWEGF-RYUDHWBXSA-N 346.424 1.222 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2Cc3ccccc3O2)cc1 46812035 GWRRRAUVNKNTJU-ZDUSSCGKSA-N 332.381 1.068 0 40 EDAB COCCN1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 53844873 YMIHMVZVQMHRED-OAHLLOKOSA-N 337.439 1.609 0 40 EDAB Cc1cc(C)n(Cc2cccc(CNC(=O)[C@@H]3COCCO3)c2)n1 54031832 RRFKECGJGBKCJH-KRWDZBQOSA-N 329.400 1.580 0 40 EDAB COc1cc(C(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)ccc1C 42312251 WOLJRDVIJKYXLK-UHFFFAOYSA-N 348.380 1.221 0 40 EDAB NS(=O)(=O)c1ccc(NCCc2ccc3c(c2)OCCO3)nc1 23717706 CTZBWSRDGITVHT-UHFFFAOYSA-N 335.385 1.155 0 40 EDAB COc1ccc([C@@H]2CCCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)cc1 42895519 ALYMVQMWLHKSTP-GJZGRUSLSA-N 345.399 1.737 0 40 EDAB C[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)C(=O)N1CCCCC1 47253819 OVLFQVMVVFHPDT-SECBINFHSA-N 342.325 1.956 0 40 EDAB O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)[C@@H]1CC(=O)N(C2CCCC2)C1 43056150 FCPUXUBPUQWHQU-WBMJQRKESA-N 343.427 1.660 0 40 EDAB O=C(CSCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)N1CCOCC1 43010296 ANZCPGQZTFOMSE-GJZGRUSLSA-N 340.489 1.760 0 40 EDAB CCOc1cc(C(=O)N(CCO)CCO)cc(OCC)c1OCC 3196166 FKWYVWZJPXSANM-UHFFFAOYSA-N 341.404 1.310 0 40 EDAB CCN1CCN([C@@H](C)CNC(=O)Nc2nnc(C(C)C)s2)CC1 43695976 MHBXIMBWTQOYET-LBPRGKRZSA-N 340.497 1.809 0 40 EDAB COc1ccsc1C(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 107284502 XTHSVUOWDCZHOT-AWEZNQCLSA-N 337.489 1.999 0 40 EDAB CCc1cnc(N2CC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)nc1 107785659 JFYVSGIACZAJDP-PBHICJAKSA-N 327.388 1.646 0 40 EDAB C[C@H](NC(=O)COCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCCO1 23196536 VNWZXJSEXNRIQW-SMDDNHRTSA-N 331.372 1.123 0 40 EDAB Cc1ccc(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1 57210346 WMTPBIKJROCVFB-GOSISDBHSA-N 348.468 1.502 0 40 EDAB Cc1csc(N(C)C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 108456305 RTKOIPOWBZQXPR-YRRQLQLVSA-N 331.397 1.221 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NCC(=O)NC(N)=O 57841762 KVNMJAVPRLCYPE-RYUDHWBXSA-N 346.431 1.720 0 40 EDAB C[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1cccc(O)c1 176355756 HXDBGUZOMZJFGR-AWEZNQCLSA-N 333.432 1.959 0 40 EDAB COc1cc(CCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1 44873216 OVHQZHPMVVKJGB-CYBMUJFWSA-N 341.429 1.282 0 40 EDAB CNC(=O)C1CCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 44892017 SGIOCSDMFWXYEJ-UHFFFAOYSA-N 338.791 1.709 0 40 EDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(SC)cc1 58201437 HGYDLDMHAYDQAD-CYBMUJFWSA-N 328.459 1.698 0 40 EDAB CC1CCN(c2ccc(CNC(=O)Cn3cccnc3=O)cn2)CC1 48277034 GUHBZVZEFOAYAT-UHFFFAOYSA-N 341.415 1.191 0 40 EDAB CCCS(=O)(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 95399843 XSFRLANCTPSTGU-QGZVFWFLSA-N 340.489 1.761 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)N[C@@H]1CCCCNC1=O 44967986 JTGZLURJGWDEQP-UONOGXRCSA-N 347.415 1.527 0 40 EDAB CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(Br)c(O)c1 97235695 CVPQFLOZKIHQIZ-NSHDSACASA-N 341.205 1.895 0 40 EDAB CC[C@@H](C(N)=O)N1CCN(Cc2ccc(Br)s2)CC1 58356285 ARNBXYZUTKMZET-NSHDSACASA-N 346.294 1.892 0 40 EDAB Cc1cc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)nc(N)n1 58329732 CQZBNKJPLWSEEF-UHFFFAOYSA-N 336.399 1.811 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 22233966 XKJRKTONVCBXHB-UHFFFAOYSA-N 329.356 1.442 0 40 EDAB COc1cccc(C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)c1 36357395 UNFLLPSXUHDJMO-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB Cc1noc(N)c1C(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 12768872 BBNSVEGHNKVGOR-LLVKDONJSA-N 329.356 1.695 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)C[C@H](C)O1 3333933 WRLLFZQYISGQLD-STQMWFEESA-N 337.420 1.267 0 40 EDAB O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1COCCO1 84398026 JIHRVAHYKWVWKV-INIZCTEOSA-N 336.457 1.632 0 40 EDAB Cn1nc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1=O 3325429 IPQOMAFNNREGNV-UHFFFAOYSA-N 332.791 1.396 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 37991519 PANRYTDWFCEFBR-SNVBAGLBSA-N 331.825 1.136 0 40 EDAB COC(=O)c1ccc(CNC(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 29122897 OQUUDNNJQUIIAK-HZSPNIEDSA-N 334.416 1.587 0 40 EDAB CN(C)c1cc(CNC(=O)NC[C@H]2Cc3ccccc3O2)ccn1 48363165 SXGVTRHMJRQQCK-OAHLLOKOSA-N 326.400 1.951 0 40 EDAB Cc1csc(NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)n1 46016977 KSUDAZWWGNXLGK-JTQLQIEISA-N 329.385 1.728 0 40 EDAB COc1cccc(CCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 83973394 QNAJXTWTJUCEAJ-MSOLQXFVSA-N 332.444 1.685 0 40 EDAB COc1cccc(CCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 83973398 QNAJXTWTJUCEAJ-ROUUACIJSA-N 332.444 1.685 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 8981248 IONQNGCMIKFOLK-LLVKDONJSA-N 341.820 1.952 0 40 EDAB COc1cc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2C)ccc1O 13654386 BNFCRDOWLALXBO-DYVFJYSZSA-N 349.408 1.680 0 40 EDAB COC(=O)c1cc(NC(=O)CN2C(=O)CSC2=O)ccc1Cl 4375651 WWQRYCMEXRWJEC-UHFFFAOYSA-N 342.760 1.761 0 40 EDAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)Nc2cn[nH]c2)cc1 65415637 COVIGWINQYKGIC-INIZCTEOSA-N 329.404 1.913 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNC[C@@H](O)c1cccc(F)c1 65474697 ZAQDXYFOFVRZKH-QGZVFWFLSA-N 348.422 1.527 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1 65553835 AZTKHPCNVAHYSQ-MFKMUULPSA-N 346.449 1.804 0 40 EDAB NC(=O)C1CCN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 4505111 BJMPJXJWINQZOT-AWEZNQCLSA-N 335.791 1.557 0 40 EDAB CCOCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 4815740 CQJDTZIMXPEGGB-UHFFFAOYSA-N 326.418 1.836 0 40 EDAB O=C(COc1ccccc1Cl)NCCNC(=O)c1cnccn1 4985312 LCIGQMWNICXMMK-UHFFFAOYSA-N 334.763 1.055 0 40 EDAB CC(C)[C@@H]1NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 9388602 UKNOUJSVCIDJAT-HOCLYGCPSA-N 329.400 1.757 0 40 EDAB COC(=O)c1cn(-c2cccc(C(=O)O)c2)cc(C(=O)OC)c1=O 9481941 WGOXARGDSRKCSF-UHFFFAOYSA-N 331.280 1.109 0 40 EDAB CN(C)c1ccccc1NC(=O)NCCCN1CCC[C@H](C(N)=O)C1 70007169 YPTBDZKJIYZWAV-AWEZNQCLSA-N 347.463 1.462 0 40 EDAB COc1cccc(CNC(=O)CCc2c(C)nc3ncnn3c2C)c1 8305002 WCWZBRBYIHPHDF-UHFFFAOYSA-N 339.399 1.999 0 40 EDAB O=C(NCc1noc(-c2ccco2)n1)c1ccc(N2CCCC2)nn1 69422517 ZJGOASORUGDXCY-UHFFFAOYSA-N 340.343 1.650 0 40 EDAB CC(C)c1nnc(CN2CCN(c3ccc4nncn4n3)[C@H](C)C2)o1 69459759 NFJNTXKXUGFDHE-GFCCVEGCSA-N 342.407 1.341 0 40 EDAB O=C(O)CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8429585 GGSKIIKMXACDBT-UHFFFAOYSA-N 340.401 1.066 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(C[C@H](O)c3cccc(F)c3)C2)C1=O 84597322 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1.858 0 40 EDAB O=C(CO)Nc1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1 69775958 YMOCOYRHZJZSTK-UHFFFAOYSA-N 341.776 1.467 0 40 EDAB Cc1nc(N(C)C)sc1CN1CCO[C@](C)(c2cnn(C)c2)C1 92017156 YMZGTYMTSPUKKG-INIZCTEOSA-N 335.477 1.999 0 40 EDAB C[C@@H]1CN(CC(=O)NCC2CC2)CCN1C[C@H](O)c1ccccc1 69847541 FXPAUEOVLLVLRN-QAPCUYQASA-N 331.460 1.252 0 40 EDAB NC(=O)c1cnn2c1NC[C@@H](CNCCCOc1ccccc1F)C2 69841959 JLALDYCKCBJOEX-GFCCVEGCSA-N 347.394 1.222 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1 69972872 WYMSBNJFDIYPEV-ZDUSSCGKSA-N 341.839 1.193 0 40 EDAB O=C(c1cccc(N2CCCC2=O)c1)N1CCC[C@@H](n2cncn2)C1 72272215 HLUDXYLQMWXCGP-MRXNPFEDSA-N 339.399 1.882 0 40 EDAB CCCn1nc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)ccc1=O 72277073 CROUTCPMGIQEQZ-HNNXBMFYSA-N 343.383 1.908 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NC(=O)[C@@H](C)NC(=O)CC1CCCCC1 71888291 XRIMNRQGFBBKAC-SNVBAGLBSA-N 335.408 1.231 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 71812651 LTHSBFGWOOTUTB-CYBMUJFWSA-N 329.404 1.778 0 40 EDAB CCN(C(=O)CN1CCN(CCOC)[C@H](C)C1)C1CCCCC1 71864763 AZXZYLCEPCXKFX-MRXNPFEDSA-N 325.497 1.820 0 40 EDAB Cc1cc(NC(=O)CN(C)[C@@H]2CCCN(Cc3noc(C)n3)C2)no1 71870483 UEUYMOUPRBRUEC-CYBMUJFWSA-N 348.407 1.209 0 40 EDAB CC(C)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CCCO2)c1 71894005 PFJLBVDYJWKWHS-LLVKDONJSA-N 329.393 1.917 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC(C)(C)C(C)(C)O)c(C)c1 95458380 ZGJSOZCAMQXNDG-UHFFFAOYSA-N 329.418 1.609 0 40 EDAB C[C@H](CO)CNC(=O)c1cn(-c2ccc(Br)cc2)cn1 95439878 CUFANFMSDUNNFB-JTQLQIEISA-N 338.205 1.993 0 40 EDAB CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)CCCC3)O1 95460103 FKGQUHGHGNZZRF-DLBZAZTESA-N 330.428 1.931 0 40 EDAB Cn1cc(N2CCC[C@@H](Nc3ccc(Cl)c(C(N)=O)c3)C2=O)cn1 95404393 YVIXUHCYJOSGFZ-CQSZACIVSA-N 347.806 1.780 0 40 EDAB C[C@@H]1CN=C(N2CCN(CC[S@](=O)c3ccccc3)CC2)S1 95408956 RYYTYWDQQGTIEI-JLCFBVMHSA-N 337.514 1.903 0 40 EDAB O=C(NCCN1CCN([C@H]2Cc3ccccc3[C@H]2O)CC1)C1CCC1 95987269 PIGHKBIGFBCBJU-RBUKOAKNSA-N 343.471 1.179 0 40 EDAB CN1CC[C@@H](C(=O)NC2CCN(Cc3ccccc3F)CC2)CC1=O 95954026 QINABJHKFIEOJK-CQSZACIVSA-N 347.434 1.775 0 40 EDAB O=C(Nc1ncccn1)C1CCN(Cc2noc(C3CC3)n2)CC1 95954643 RUXVDYHKYXPEMP-UHFFFAOYSA-N 328.376 1.588 0 40 EDAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)NC(C)(C)C)O2 64988420 GVYBGNAQDOTUKK-CQSZACIVSA-N 340.445 1.827 0 40 EDAB c1cc(N2CCOCC2)n2cc([C@H]3CNCCN3CC3CC3)nc2c1 306127880 GJSVOESVSMGGQW-QGZVFWFLSA-N 341.459 1.527 0 40 EDAB COc1ncccc1C(=O)N1CCOC[C@]2(CC[C@@H](CN(C)C)O2)C1 306141014 VIZPACBTCWMLGO-KSSFIOAISA-N 349.431 1.042 0 40 EDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc2c(c1)CCC2 548531302 ZFGPRXJOQDOMRL-IAQYHMDHSA-N 339.413 1.333 0 40 EDAB CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3cccnc3)n[nH]2)CC1 64875405 GMXVZAFRLBPQFM-UHFFFAOYSA-N 344.419 1.919 0 40 EDAB O=C(NCC1CCN(c2cnccn2)CC1)C(=O)Nc1ccccc1 70898119 NCRCKLQUDDTRSE-UHFFFAOYSA-N 339.399 1.448 0 40 EDAB c1ccc(N2CC[C@H](NCc3cnc(N4CCOCC4)nc3)C2)cc1 78604211 UBDBJGOPACLZRZ-KRWDZBQOSA-N 339.443 1.682 0 40 EDAB Cn1nnnc1N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 567768436 NOVVMDZFYMHGKY-CYBMUJFWSA-N 332.383 1.272 0 40 EDAB Cc1cnccc1OC1CCN(C(=O)N[C@H]2CC[S@](=O)C2)CC1 570896416 KOIWNBPXEODKHO-NPMABZOXSA-N 337.445 1.464 0 40 EDAB COc1ccc(NC(=O)C[C@@H]2Cn3nc(C)nc3NC2=O)c(OC)c1 40386699 HLUSBCTZCCTJQB-SNVBAGLBSA-N 345.359 1.201 0 40 EDAB CC1(C)C(=O)N(CC(=O)NCC2(CO)CC2)c2ccc(Cl)cc21 223225261 XPBOJPNMNVJEKO-UHFFFAOYSA-N 336.819 1.853 0 40 EDAB Cc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)N1CCN(C)CC1 225385989 RFTYKOZCXONURN-UHFFFAOYSA-N 337.445 1.280 0 40 EDAB OC[C@]1(NCc2nnc3n2CCCCC3)COc2ccccc2C1 528643324 DJYNZLNDAUQQLT-SFHVURJKSA-N 328.416 1.460 0 40 EDAB COc1ccc(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1 224295162 PWKUPEMCBCZVIL-UHFFFAOYSA-N 336.417 1.969 0 40 EDAB CC(C)[C@@H](N)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 195542458 FLHVRALFAFWNAL-MRXNPFEDSA-N 337.851 1.537 0 40 EDAB CN(C)[C@@H](CNC(=O)CN1CC[C@]2(CCOC2)C1)c1ccccc1 97096460 GHZQVXSMTNCYTE-HKUYNNGSSA-N 331.460 1.518 0 40 EDAB C[C@H](CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)Cc1cccs1 96437719 RVMCPUDZCSTCLY-RYUDHWBXSA-N 330.475 1.661 0 40 EDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccncc2)C1)N1CCCC1 96057615 HTAYGNGJQOKBQF-ARFHVFGLSA-N 329.400 1.324 0 40 EDAB O=c1cc(C2CCCC2)ncn1CCNS(=O)(=O)c1ccccc1 96119180 QLKPIBWUHIZTNU-UHFFFAOYSA-N 347.440 1.879 0 40 EDAB Cc1nc2nnc3ccc(C(=O)NC4CC4)cc3c2n1CCN(C)C 96264284 NNWNDDHQMMBMFR-UHFFFAOYSA-N 338.415 1.742 0 40 EDAB O=C(c1ccco1)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 96048715 YAIDAXQHHHTLIG-QGZVFWFLSA-N 326.356 1.729 0 40 EDAB O=C(CCOCc1ccccc1)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617800 SUQVPNDOXKMYRT-KRWDZBQOSA-N 330.388 1.222 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCN(CC2=CCCOC2)CC1 96489449 UAHVYCNEBGCICZ-UHFFFAOYSA-N 340.420 1.479 0 40 EDAB O=C(CC1CC1)NCc1cn2c(n1)CN(Cc1ccccn1)CC2 96197421 JFIFGOXUCUOVAX-UHFFFAOYSA-N 325.416 1.710 0 40 EDAB Cc1ccc(C(=O)N2CCn3cc(CN4CCOCC4)nc3C2)o1 96197297 BFUHCNHWANOOMW-UHFFFAOYSA-N 330.388 1.273 0 40 EDAB O=C1CCCN1C[C@@H]1CN(c2ncc(F)cn2)Cc2nccn2C1 96188435 XTRWYPWBPYKZHL-GFCCVEGCSA-N 330.367 1.071 0 40 EDAB CN([C@@H]1CCc2ccccc2C1)S(=O)(=O)c1cnn(CC(=O)O)c1 581664820 FMQJLZLGBMGXLG-CQSZACIVSA-N 349.412 1.146 0 40 EDAB Cc1cc(CN2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)no1 96043305 LRDRTXQDVLTIHJ-IXDOHACOSA-N 333.432 1.736 0 40 EDAB CCn1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)n1 96181647 RJFWTUMXKAHJSM-CVEARBPZSA-N 346.362 1.579 0 40 EDAB Cn1cncc1CN1CCO[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 96226575 DDEMZYLCPDQVAP-KRWDZBQOSA-N 346.410 1.221 0 40 EDAB O=C(CC1CC1)NCc1cnc2n1CCN(C[C@H]1CCOC1)CC2 96197050 BOYLRYSAVFOVFN-OAHLLOKOSA-N 332.448 1.194 0 40 EDAB COCCN1CC2(CCN(Cc3ccoc3)CC2)[C@@H](COC)C1=O 96209109 KVNKEOBSUFRTMC-INIZCTEOSA-N 336.432 1.613 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2cccnc2)[C@H]1Cc1cccnc1 96200518 LKUXUSNFQSNCDW-ROUUACIJSA-N 341.411 1.965 0 40 EDAB O=C1[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1CC[C@H]1CCCO1 248741707 YKEYCAOSZDGTLV-BRWVUGGUSA-N 328.412 1.673 0 40 EDAB Cc1ccc([C@H]2CN([C@H]3CC(=O)N(CC(F)(F)F)C3=O)CCO2)o1 248874508 IXBQVQKXQFELDB-CMPLNLGQSA-N 346.305 1.651 0 40 EDAB Cn1c(S(=O)(=O)N2c3ccccc3C[C@H]2CO)cnc1Cl 585119000 MGIUUAOWQQWYPL-JTQLQIEISA-N 327.793 1.186 0 40 EDAB CN(C)[C@@H]1CCc2ccccc2N(S(=O)(=O)c2ccnn2C)C1 585122557 YYUNGXHMKVLKBP-CQSZACIVSA-N 334.445 1.492 0 40 EDAB CN1C(=O)[C@H](O)[C@H](C(=O)NCCc2ccco2)[C@H]1c1ccccc1 585121149 HETSXNQBBYBKFD-BZUAXINKSA-N 328.368 1.129 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1nnc2c(Cl)cccn12 585128018 PRCDVMPDUXZXBX-QWRGUYRKSA-N 338.795 1.583 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)CCO1 257291370 QGQWXBZBTXATNC-AWEZNQCLSA-N 344.419 1.011 0 40 EDAB Cc1cc2nc(C3CCN(Cc4ccnn4C)CC3)cc(O)n2n1 257277302 NXHYYCDJEOUTMM-UHFFFAOYSA-N 326.404 1.856 0 40 EDAB CO[C@H]1CN(C(=O)CCN(C)Cc2ccccn2)CC[C@@]12CCCO2 257260537 LDHLGOSDSLQESP-HKUYNNGSSA-N 347.459 1.700 0 40 EDAB C[C@@]1(c2ncc(CNC(=O)CCCn3cncn3)cn2)CCCCO1 257264127 LTAYWKJMTUPUTN-KRWDZBQOSA-N 344.419 1.580 0 40 EDAB CCc1nccn1CCC(=O)N1CCO[C@@H](CCc2ccncn2)C1 257279557 OHFFNZRPNIKFGL-INIZCTEOSA-N 343.431 1.486 0 40 EDAB CS(=O)(=O)N1CCC[C@@]12CCN(Cc1ccc(F)cc1)C[C@@H]2O 257218326 DCSNADCQDPJRLR-HOTGVXAUSA-N 342.436 1.187 0 40 EDAB CN(C)C(=O)[C@H]1CCN(Cc2cnn(-c3ccccc3C(=O)O)c2)C1 257217114 CXNHDDWMANUMGJ-AWEZNQCLSA-N 342.399 1.481 0 40 EDAB Cc1cc(C)nc(N2CC[C@H](O)[C@@H](N(C)C3CCOCC3)CC2)n1 257291417 QGWSQFJVKRPMIB-IRXDYDNUSA-N 334.464 1.534 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C[C@H](C)O)CC1 85467207 YFCHKMGRSCMLKY-NSHDSACASA-N 332.853 1.336 0 40 EDAB CS(=O)(=O)CCN1CCO[C@H](c2ccc(OC(F)F)cc2)C1 252488362 IQISRXSLPGMCSK-ZDUSSCGKSA-N 335.372 1.706 0 40 EDAB COc1ccc(Cn2cc(NC(=O)N3CCNC(=O)[C@@H]3C)cn2)cc1 252481599 COYNZEMGLMENJR-LBPRGKRZSA-N 343.387 1.292 0 40 EDAB COc1ccc(CC(=O)N2CCC3(CC2)OCCC[C@H]3O)cc1F 257306941 SWQOUCQWGZYLFN-MRXNPFEDSA-N 337.391 1.909 0 40 EDAB O=C(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1cccc2c1OCCO2 257236548 HCQFNLGWGQAJPY-IIAWOOMASA-N 332.400 1.175 0 40 EDAB CNC(=O)c1ccn([C@H]2CCCN(c3ncccc3C(=O)O)C2)n1 647453527 KLHMRLJGEOKFES-NSHDSACASA-N 329.360 1.177 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 390835065 CAUVTNHAGIJGGM-DOMZBBRYSA-N 340.420 1.813 0 40 EDAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)[C@@H]2CCOC2)C3)n1 575406034 VNWLIHKWWRHKJC-NVXWUHKLSA-N 346.427 1.703 0 40 EDAB O=C(Cc1cccs1)N[C@H]1CCN(c2ccc3nncn3n2)C1 575414357 FZEJNGMJZITDKK-NSHDSACASA-N 328.401 1.123 0 40 EDAB NC(=O)c1ccc2c(n1)N(C(=O)c1ccnn1CC(F)F)CCC2 585114356 OSYICNOZNRXUPF-UHFFFAOYSA-N 335.314 1.235 0 40 EDAB CCn1cc(C(=O)N2CCO[C@@](CO)(Cc3ccc(C)cc3)C2)cn1 585277594 NHTFSYTUTZLHQH-IBGZPJMESA-N 343.427 1.658 0 40 EDAB Cc1nccc(N2CCOC[C@](O)(COc3ccccc3C)C2)n1 585275348 CSFQXVJLXRAXRY-SFHVURJKSA-N 329.400 1.740 0 40 EDAB CNC(=O)CC[C@@]1(O)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 585278165 MBCLRNNXHZEHIT-INIZCTEOSA-N 340.445 1.037 0 40 EDAB O=S(=O)(NC[C@@H]1CN(Cc2ccoc2)Cc2ccnn21)C1CC1 585112716 UIVCHDYGLOUHHN-CQSZACIVSA-N 336.417 1.115 0 40 EDAB CN(CCNC(=O)C1CCN(C(=O)NCc2ccco2)CC1)C1CC1 65443416 ZUBKADKFXPUCIR-UHFFFAOYSA-N 348.447 1.412 0 40 EDAB Cc1ccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c(C)c1 65585918 SQGLFBMAXAZNFQ-ZDUSSCGKSA-N 325.434 1.849 0 40 EDAB CCNC(=O)CN1CCN(Cc2nc3cc(F)ccc3n2CC)CC1 66829142 JPZVVYVYPQALFT-UHFFFAOYSA-N 347.438 1.449 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 69950744 SFJJWXMUQPXTSQ-MRXNPFEDSA-N 345.443 1.252 0 40 EDAB C[C@H](O)CN1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 71871530 XBKMPESXCCNZJH-LBPRGKRZSA-N 330.350 1.773 0 40 EDAB C[C@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)CN1CCOCC1 72291765 NFPJHUZQVHDGDC-CQSZACIVSA-N 345.443 1.733 0 40 EDAB CC(C)[C@H](CNC(=O)Nc1nnc(C2CC2)s1)N1CCOCC1 43359774 WVWXRIYVSOMJPW-LBPRGKRZSA-N 339.465 1.894 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCCCNC1=O)c1ccc2c(c1)OCCO2 43481502 UGOQRXGWRHQDIB-WCQYABFASA-N 333.388 1.487 0 40 EDAB O=C1NCCC[C@@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 51157014 NNEXFUSKNISPEM-JTQLQIEISA-N 338.307 1.142 0 40 EDAB O=C(COC(=O)c1ccccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1 12786933 RDPFXCMLMBBMNG-UHFFFAOYSA-N 329.287 1.791 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC[C@H](c2cc3cccnc3c(=O)[nH]2)C1 19347205 QCNUFBITADBBPM-ZFWWWQNUSA-N 327.384 1.808 0 40 EDAB CC(=O)NC1(c2ccccc2)CCN(c2cc(C)nc(N)n2)CC1 19656927 SOURQTQRIBZYTF-UHFFFAOYSA-N 325.416 1.999 0 40 EDAB O=C(NCCN1CCOCC1)N1CCCO[C@@H](c2ccccc2)C1 591824155 TWZCUMHEVVCJDU-QGZVFWFLSA-N 333.432 1.492 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccnc2)C1 220802 CRJZVEXSZIZGCR-CQSZACIVSA-N 325.434 1.150 0 40 EDAB Cn1ncc2c(N3CCC[C@@H](C(=O)N4CCSCC4)C3)ncnc21 1889111325 JOMCFDMOVRHTGI-GFCCVEGCSA-N 346.460 1.155 0 40 EDAB NC(=O)[C@@H]1CCCCN1CC(=O)Nc1ccc(Br)cc1 9953798 ISAFQNXOKDBDTD-LBPRGKRZSA-N 340.221 1.727 0 40 EDAB O=C(CC1CC1)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840797 RGSTWILFKGQVPJ-GOSISDBHSA-N 332.375 1.960 0 40 EDAB O=C(c1cccs1)N1C[C@@H]2OCCN(Cc3cccnc3)[C@@H]2C1 1565541973 IZJOZISVWODOES-CABCVRRESA-N 329.425 1.869 0 40 EDAB CC(C)OCCCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O 2952135 MBLKAFRADGXXPD-UHFFFAOYSA-N 333.388 1.011 0 40 EDAB O=C(NCc1cccnc1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4272670 QYMWAEWALASSRM-CQSZACIVSA-N 328.347 1.825 0 40 EDAB CCOc1c(C)cnc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C 9571663 JHPDSCZRJAJRSU-UHFFFAOYSA-N 343.358 1.990 0 40 EDAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)c1ccco1 12374877 YCXLRKFSIQISKS-CYBMUJFWSA-N 345.277 1.762 0 40 EDAB CC(=O)c1cccc(NC(=O)Cn2nc3c(cc2=O)CCCC3)c1 12415014 CATOFGGWKQXLJJ-UHFFFAOYSA-N 325.368 1.963 0 40 EDAB Cc1ncnc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)c1C 1775973647 LZADKUSEMYUWCP-UHFFFAOYSA-N 338.419 1.475 0 40 EDAB CN(C)C(=O)Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1 23142134 ZGEJBTRUUKNDRT-UHFFFAOYSA-N 348.428 1.172 0 40 EDAB Cc1ccccc1CCC(=O)NCCOCCN1C(=O)CCC1=O 575618551 BWGHCGGYMAPHQI-UHFFFAOYSA-N 332.400 1.209 0 40 EDAB COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CCOC1=O)N(C)CC3)OCO2 20111822 RYJBGPUJPSJGAR-RYUDHWBXSA-N 347.367 1.475 0 40 EDAB biogenic CNS(=O)(=O)c1ccc(CNC(=O)c2cc(C(C)=O)c[nH]2)cc1 40498776 HCPIFZIWWUJTAH-UHFFFAOYSA-N 335.385 1.055 0 40 EDAB COc1ccccc1C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 107172 OONNOCDWXGQQOW-UHFFFAOYSA-N 342.380 1.992 0 40 EDAB CC1(C)NC(=O)N(CCCn2nnc(-c3cccc(F)c3)n2)C1=O 40538907 KOYYZJGGRXTTOP-UHFFFAOYSA-N 332.339 1.200 0 40 EDAB COCCn1c(C(=O)NCc2ccccn2)nc2ccccc2c1=O 31818116 LOBGPQGQUNAOPX-UHFFFAOYSA-N 338.367 1.368 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(COC[C@@H]4CO4)C=C[C@H]3O2)cc1 100917554 XFUHVCZVGQJFMO-HLTONANMSA-N 341.363 1.223 0 40 EDAB O=C(NC1(C(=O)NC2CCCC2)CCCCC1)c1ccc(=O)[nH]c1 212648 HKLPDLOIZZEACR-UHFFFAOYSA-N 331.416 1.866 0 40 EDAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC(CO)CC1 52819972 SWZNNYVFSUHHQP-GFCCVEGCSA-N 328.420 1.963 0 40 EDAB COC(CN=c1[nH]c(Cl)ncc1I)OC 1857794478 KFYHXWDARZYYIS-UHFFFAOYSA-N 343.552 1.187 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)no1 2660129 DWDCAXPWJWVJCS-INIZCTEOSA-N 328.328 1.389 0 40 EDAB Cc1nc(CNC(=O)N2CCN(c3ccc(Cl)cn3)CC2)no1 76087269 SLPHZEGXAUPTPH-UHFFFAOYSA-N 336.783 1.458 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)c3nc(C)n4ccccc34)CCO2)n1 78890160 INCIQHAPWOQJLQ-CYBMUJFWSA-N 340.387 1.537 0 40 EDAB C[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 103325987 ZTKRXFXWKXDYOD-NWDGAFQWSA-N 325.434 1.393 0 40 EDAB O=C(Nc1ccc(NC(=O)N2CCOCC2)cc1)N1CCOCC1 3077919 KNJCGODBEFSMDJ-UHFFFAOYSA-N 334.376 1.415 0 40 EDAB O=C(CSc1nc(=O)[nH]c2c1CCC2)NCc1ccc(F)cc1 4316840 FABGTXUQMSWXKH-UHFFFAOYSA-N 333.388 1.806 0 40 EDAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 6375771 RGOHHDBMOATBHZ-UHFFFAOYSA-N 328.434 1.524 0 40 EDAB Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1cccc(F)c1 6590746 HZMMPRBAFGFJJY-UHFFFAOYSA-N 338.360 1.929 0 40 EDAB CC[C@H](C)NC(=O)C1=CC(c2cccs2)=NS(=O)(=O)N1C 6800401 AOQDBPLGAAMXBL-VIFPVBQESA-N 327.431 1.526 0 40 EDAB CC(C)c1ccc(-c2noc(CN3CCN(CCO)CC3)n2)cc1 22943507 FADGMGZPSAGSJZ-UHFFFAOYSA-N 330.432 1.970 0 40 EDAB O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 42477178 IPUSLDKNRYOTEY-YPMHNXCESA-N 349.818 1.478 0 40 EDAB Cc1nc2cc(NC(=O)CN(C)C(=O)[C@@H](C)n3cccn3)ccc2o1 54363941 BRJTVPXOBHJSOV-LLVKDONJSA-N 341.371 1.991 0 40 EDAB CCCc1ccc(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 23743497 LIVAVLVSFCKWJR-CQSZACIVSA-N 331.459 1.495 0 40 EDAB Cc1ccc(Cc2c(C)nc(N3CCN(CCO)CC3)[nH]c2=O)cc1 24252098 XXIQDDRPJIUOQG-UHFFFAOYSA-N 342.443 1.092 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)COc1ccc(Cl)cc1 24209848 PLUSBWNKWMDBOJ-GFCCVEGCSA-N 338.791 1.944 0 40 EDAB Cc1ccccc1N1C(=O)C[C@@H](N2CCC3(CC2)OCCO3)C1=O 9288831 BLVRTKSUSKGKOU-OAHLLOKOSA-N 330.384 1.466 0 40 EDAB O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)[C@H]1CC(=O)N(C2CCCC2)C1 43056151 FCPUXUBPUQWHQU-BLLLJJGKSA-N 343.427 1.660 0 40 EDAB CCCn1nc(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)ccc1=O 43056013 PZDIHGBRKCTOLD-CYBMUJFWSA-N 328.372 1.149 0 40 EDAB C[C@H](C(=O)N1CCN(C(=O)C2CC2)CC1)n1c(=O)oc2ccccc21 25169711 AYVFNWIEGSMOJX-GFCCVEGCSA-N 343.383 1.236 0 40 EDAB COC(=O)c1ccc([C@H]2N=c3ccc(N)c(Br)c3=N2)cc1 103533684 HYQWURBHDTXHLZ-AWEZNQCLSA-N 346.184 1.770 0 40 EDAB CCSCC[C@@H](C)N(C)CC(=O)N[C@H](C)C(=O)N1CCCCC1 107355854 ZINYXDVUZJVLIW-HUUCEWRRSA-N 343.537 1.967 0 40 EDAB O=C(NCCC(=O)N1CCOCC1)c1[nH]c2ccccc2c1Cl 56677038 HTPSPNMOGBBTGK-UHFFFAOYSA-N 335.791 1.800 0 40 EDAB O=C(O)CNC(=O)CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 1796765 CYNBNXIKOJONLG-JHLWKMQHSA-N 346.364 1.480 0 40 EDAB Cn1cc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)cn1 108532922 CEQCDZXFRURICY-ZBFHGGJFSA-N 338.402 1.890 0 40 EDAB CN(C(=O)CNc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 57763622 DFJGSCFZRDLCNX-MRVPVSSYSA-N 336.335 1.161 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccc(C(N)=O)cc2)c2ccccc2O1 27371419 OVLJPJDLNSGGCG-INIZCTEOSA-N 325.368 1.299 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 44893048 JUAOZGVIJFIOKW-UHFFFAOYSA-N 349.412 1.495 0 40 EDAB CCNC(=O)NC(=O)CN1CCCC[C@H]1CNC(=O)OC(C)(C)C 58209759 MHACQOMEMXVSHE-LBPRGKRZSA-N 342.440 1.211 0 40 EDAB CN1CCN(c2cc(CNC(=O)NCc3cccs3)ccn2)CC1 44948603 MZJVQEBXRBDQDW-UHFFFAOYSA-N 345.472 1.894 0 40 EDAB C[C@H]1COCCN1S(=O)(=O)c1ccccc1OC(F)(F)F 44914374 GQCFRQCETWOOET-VIFPVBQESA-N 325.308 1.995 0 40 EDAB Cn1c(=O)n(CCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c2ccccc21 44969892 ZDTBUWWDLXKMLH-DLBZAZTESA-N 343.427 1.900 0 40 EDAB CCOCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10324541 DBGWUPDQGRQXKZ-LBPRGKRZSA-N 340.445 1.554 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N2CCOCC2)cc1 58426653 YKUCYYTWOWKNAF-DZGCQCFKSA-N 331.416 1.249 0 40 EDAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N1C[C@H](C)O[C@@H](C)C1 28655979 BWBXWSUFAFGZAR-AVGNSLFASA-N 340.445 1.767 0 40 EDAB CCCn1nc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1=O 11781883 DPTGKTJRRXQPPG-UHFFFAOYSA-N 345.399 1.643 0 40 EDAB CCCNC(=O)NC(=O)CSc1nnc(Cc2ccccc2)n1C 3445482 XUFCQTMBQKEIJQ-UHFFFAOYSA-N 347.444 1.734 0 40 EDAB CNC(=O)NC(=O)COC(=O)CCCOc1ccc(Cl)c(C)c1 3484089 VQLAOPBXPBLDNA-UHFFFAOYSA-N 342.779 1.806 0 40 EDAB C[C@@H]1CN(C(=O)C2CCN(Cc3nnc(C4CC4)o3)CC2)C[C@@H](C)O1 71824731 NVZWXVGFJKCBKV-CHWSQXEVSA-N 348.447 1.795 0 40 EDAB Cc1nn(C)c(NC(=O)Cn2cnc3c(C)cccc3c2=O)c1C 71883182 YLVHTWYUBPMTHU-UHFFFAOYSA-N 325.372 1.694 0 40 EDAB COC(=O)c1sccc1NC(=O)C(=O)NCCN1CCCCC1 13691579 MPNTVQHJPGVRSS-UHFFFAOYSA-N 339.417 1.075 0 40 EDAB COCC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 71885782 BSUZEPKFUZAFBG-UHFFFAOYSA-N 325.840 1.615 0 40 EDAB NC(=O)c1cccc(OCC(=O)N2CCCC[C@H]2Cn2cccn2)c1 71865327 GSGKRPHIXXGEDU-HNNXBMFYSA-N 342.399 1.442 0 40 EDAB Cc1ccc(C(=O)NCCOc2ccc3c(c2)CCC(=O)N3)c(=O)[nH]1 65462589 GNNVPJGOGVCSGI-UHFFFAOYSA-N 341.367 1.377 0 40 EDAB O=C(CN1CCC[C@@H]1CN1CCCC1)NC(=O)NC1CCCCC1 65516638 PIXWQQGXXKOQAQ-MRXNPFEDSA-N 336.480 1.705 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)c1ccc(=O)n(-c2ccccc2)n1 65898717 BOCSXNZROVKEKI-HNNXBMFYSA-N 327.384 1.874 0 40 EDAB COC(=O)c1c(NC(=O)C(=O)NCc2ccccn2)sc(C)c1C 6527605 NMPHUFKBBHAPGR-UHFFFAOYSA-N 347.396 1.801 0 40 EDAB CC(C)N1CCO[C@]2(CN(C(=O)N(C)C)C[C@H]2c2cccnc2)C1=O 306130534 JIYVGBVWLBWNQF-YJBOKZPZSA-N 346.431 1.168 0 40 EDAB O=C(O)CNC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 4837627 UVFKJRKPUYFYKD-GDNBJRDFSA-N 342.326 1.797 0 40 EDAB C[C@@H]1CN(c2ccc(NC(=O)NCCC(=O)N(C)C)cc2)CCO1 71920080 WEBMODRQKHSDEQ-CYBMUJFWSA-N 334.420 1.512 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N(CCN(C)C)Cc1cccc(F)c1 68313551 BKWYVEVGEIYDPL-PBHICJAKSA-N 349.450 1.878 0 40 EDAB Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1C[C@@H]1CCCO1 7778562 AJMXBPKWJHLTBY-AWEZNQCLSA-N 349.383 1.898 0 40 EDAB Cc1nn2c(=O)cc(CN3CCC[C@@H]3Cn3cccn3)nc2s1 70040132 CZTKDUBQRNWYNU-CYBMUJFWSA-N 330.417 1.321 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CSCN1C(=O)C1CCC1 69394230 ARXQNZFJUGMPFB-ZFWWWQNUSA-N 348.472 1.615 0 40 EDAB Nc1nc(C(F)(F)F)nn1C(=O)c1ccc(Br)o1 8329187 CJDAYRNJIFDRNW-UHFFFAOYSA-N 325.044 1.923 0 40 EDAB O=c1[nH]c(SCCn2cncn2)nc2c1cnn2-c1ccccc1 69418112 WVZHUFXVLFHMHX-UHFFFAOYSA-N 339.384 1.493 0 40 EDAB C[C@H](Cn1cccn1)NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 69417279 FADNOUPVEUIPHT-ZIAGYGMSSA-N 341.415 1.625 0 40 EDAB Cc1cc(NC(=O)C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)ccc1F 71799734 KRXAWCOZVYPZNF-CHWSQXEVSA-N 337.395 1.298 0 40 EDAB FC(F)(F)Cn1ccnc1CN1CCN(c2cccnn2)CC1 69564042 YLGOJOCAFHQZOH-UHFFFAOYSA-N 326.326 1.558 0 40 EDAB CCn1ccnc1CN1CCN(C[C@H](O)c2ccccc2F)CC1 69538485 ITPMMSIDWJVOOH-KRWDZBQOSA-N 332.423 1.893 0 40 EDAB O=C(Cc1ccccc1F)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 96432220 BWYGOHAURJZWLA-LBPRGKRZSA-N 337.376 1.563 0 40 EDAB CC(C)c1n[nH]c(C(=O)NCCN2CCOCC2)c1Br 69665577 QRNWMQFZRKZHOF-UHFFFAOYSA-N 345.241 1.358 0 40 EDAB Cc1cc(C)n(C[C@@H](C)NC(=O)CCNC(=O)Cc2ccccc2)n1 69653687 MURSNFLYFBCVAD-OAHLLOKOSA-N 342.443 1.754 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cc(=O)n2ccccc2n1 69667294 DEZUSCGGYUQNAQ-SJORKVTESA-N 340.427 1.670 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(CC[S@](=O)c2ccccc2)CC1 69630086 UQOWGLSLEBCAKO-UZUQRXQVSA-N 338.517 1.819 0 40 EDAB Cc1nc2n(n1)C[C@H](N[C@H](C)C(=O)N1CCc3ccccc31)CC2 69661250 XMJRQQGTFRZABQ-IUODEOHRSA-N 325.416 1.469 0 40 EDAB Cc1[nH]c(C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)OC(C)C 17636723 QGHXPNSGHBLVDL-NSHDSACASA-N 342.417 1.114 0 40 EDAB CCn1cc(CNC(=O)/C=C/c2ccc(S(=O)(=O)NC)cc2)cn1 69738845 QHDYFEQTUPHLJJ-RMKNXTFCSA-N 348.428 1.141 0 40 EDAB COc1cccc(CC(=O)N2CCN(C[C@H]3CCCCN3C)CC2)c1 69742044 MYZDQKLAMKBLES-GOSISDBHSA-N 345.487 1.866 0 40 EDAB C[C@H](O)CN1CCN(C(=O)CCOc2ccc(F)cc2Cl)CC1 69849131 WRDZDRCWNSGJAX-LBPRGKRZSA-N 344.814 1.773 0 40 EDAB COc1ccc(NC(=O)C(=O)NCc2ccccc2CO)cc1F 69813777 WLTQWTOATGRVCP-UHFFFAOYSA-N 332.331 1.582 0 40 EDAB CC(=O)N1CC[C@@H](C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)C1 97237363 KKLIJNBNDOSGLS-GFCCVEGCSA-N 331.351 1.342 0 40 EDAB COCCCNC(=O)C1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 97034097 OCZIZINCFGTLNA-QZTJIDSGSA-N 332.444 1.509 0 40 EDAB C[C@@H](NC(=O)CNC[C@@H]1CCCN1c1cccnn1)c1cccs1 72276719 DNPLQPDMUWEEKF-KGLIPLIRSA-N 345.472 1.974 0 40 EDAB Cc1ccc(CN(C)C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)o1 72284220 SDWVMIFKDIPBAC-OCCSQVGLSA-N 338.404 1.917 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)CNC(=O)c3cccc(F)c3)C2)n1 97128592 INSRIABEAJQSCN-CYBMUJFWSA-N 346.362 1.653 0 40 EDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NC1CCCC1 72405079 LHVULHPUVNCTAC-ZDUSSCGKSA-N 325.434 1.532 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C2)n1 95369526 SVNDLLHSCFQSCB-KGLIPLIRSA-N 332.404 1.485 0 40 EDAB O=S(=O)(c1ccccc1C(F)(F)F)N(CCO)CCCO 95433067 CMSALIYEDXBFIQ-UHFFFAOYSA-N 327.324 1.071 0 40 EDAB CS(=O)(=O)[C@H]1CCCN(C(=O)NCCCOCc2ccco2)C1 95942991 LYWKINXRUWVQFO-AWEZNQCLSA-N 344.433 1.405 0 40 EDAB CCO[C@@H]1C[C@H](NCCN2CCCS2(=O)=O)C12CCCCC2 95988032 MFHUJTBANCTQJI-LSDHHAIUSA-N 330.494 1.739 0 40 EDAB Cc1cc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(F)cc1F 95989039 OKXVYMDGILNIEB-JTQLQIEISA-N 332.372 1.379 0 40 EDAB COc1ccc([C@@H](CNc2cc(OC)ncn2)N2CCOCC2)cc1 95971331 UAXYMUQOIRNPRC-MRXNPFEDSA-N 344.415 1.979 0 40 EDAB C[C@@H]1CN(c2ccccc2CNCC2(O)CCOCC2)C[C@@H](C)O1 88701722 WLDFFWJBMAMABU-HZPDHXFCSA-N 334.460 1.931 0 40 EDAB CN(Cn1cnc2ccc(Br)cc2c1=O)S(C)(=O)=O 89364941 FWUMMZVIXREEEN-UHFFFAOYSA-N 346.206 1.008 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24689149 YDIQHONZQDITEA-KGLIPLIRSA-N 340.445 1.384 0 40 EDAB Cn1cc([C@@H]2C[C@@H](C(=O)O)CN(C(=O)Cc3ccccc3)C2)cn1 1549796191 PLFHWJSMWKFNOF-HUUCEWRRSA-N 327.384 1.680 0 40 EDAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 36264244 CFDWFCKUXVXIKP-UHFFFAOYSA-N 326.418 1.156 0 40 EDAB O=C(Nc1n[nH]c(C2CCC2)n1)[C@H](Cc1ccccc1)n1cnnn1 524733875 YBVMSKXWUNNLBJ-ZDUSSCGKSA-N 338.375 1.481 0 40 EDAB Cn1nc2c(c1NC(=O)Cc1ccc(S(C)(=O)=O)cc1)CCC2 36704275 ZIEGUFBWYOZENC-UHFFFAOYSA-N 333.413 1.494 0 40 EDAB CNC(=O)NC(=O)CCN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 78394012 YXZOQKLBGUVLTL-GFCCVEGCSA-N 342.440 1.163 0 40 EDAB O=C1CCN(CC(=O)N2CCC(CCc3ccccc3)CC2)CCN1 42570395 UJGYBJVXIXEJIG-UHFFFAOYSA-N 343.471 1.680 0 40 EDAB O=C(CNC(=O)c1ccccc1)NC[C@@H](O)c1ccccc1Cl 77631606 YQYSEVPCMUIWOG-OAHLLOKOSA-N 332.787 1.920 0 40 EDAB O=C(O)c1cnc(N2CCC(O)CC2)nc1COc1cccc(F)c1 72265502 RDSOTVZQXWOBGG-UHFFFAOYSA-N 347.346 1.854 0 40 EDAB Cc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)n(C)n1 72237855 VCQKCFFZAOXBEU-HOTGVXAUSA-N 328.372 1.266 0 40 EDAB C[C@H]1CN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C[C@@H](C)O1 38518061 UISUILQUCOLPGN-OKILXGFUSA-N 327.384 1.546 0 40 EDAB C[C@@H]1Cc2cc([C@H](O)CN3CCN(c4ncccn4)CC3)ccc2O1 36741404 ORARILZAFONWNR-RHSMWYFYSA-N 340.427 1.656 0 40 EDAB Cc1c([C@@H]2[C@@H](C(=O)NCC3=CCCCC3)CC(=O)N2C)cnn1C 565874053 PDHWEZACULTNMA-YOEHRIQHSA-N 330.432 1.865 0 40 EDAB Cc1cc(C)nc(N2CCC(c3ncncc3S(C)(=O)=O)CC2)n1 72369155 BTQQSMYMLCWFAD-UHFFFAOYSA-N 347.444 1.671 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1C 566116470 JGKAZRGKKWVTDB-HNNXBMFYSA-N 341.429 1.709 0 40 EDAB COc1ccc(OCc2cn(CC(=O)NC3CCCC3)nn2)cc1 227162933 HALSRBWJSUUYMZ-UHFFFAOYSA-N 330.388 1.925 0 40 EDAB O=C1CC[C@@H](C(=O)Nc2ccn(CC(F)(F)F)n2)n2cccc21 571626990 SDKHVXSBAKINIJ-JTQLQIEISA-N 326.278 2.403 0 40 EDAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccc(=O)[nH]c1 225754455 FRMDLJGNPVRFOE-UHFFFAOYSA-N 327.388 1.374 0 40 EDAB CCNC(=O)c1cccc(NC(=O)CS(=O)(=O)c2ccccn2)c1 47620585 NLKNSSSPDYADHD-UHFFFAOYSA-N 347.396 1.244 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1COC[C@H]2CN(c3ncc(F)cn3)C[C@@H]12 97953312 LVPQKFHDKIXGOQ-KCPJHIHWSA-N 343.362 1.348 0 40 EDAB COc1ccc(C(F)(F)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1 96484914 XBLIOIKPRPHJNR-BXUZGUMPSA-N 328.359 1.622 0 40 EDAB COc1ncnc2c1CN(C[C@@H](O)COc1ccccc1C)CC2 97202070 MIVKRWRXJMROCF-CQSZACIVSA-N 329.400 1.592 0 40 EDAB NC(=O)CN1CCC(NCc2ccc(F)c(C(F)(F)F)c2)CC1 96484608 AXEXCSYWNGZJSO-UHFFFAOYSA-N 333.329 1.884 0 40 EDAB COC(=O)C[C@H](c1cccc(O)c1)c1c(O)nc2ccccn2c1=O 96114932 PLDZYVZJYIHAOV-CYBMUJFWSA-N 340.335 1.801 0 40 EDAB biogenic Cn1cc(CCC(=O)NC[C@H](O)c2ccc(OC(F)F)cc2)cn1 96409676 HLSXMBZHZLORFB-AWEZNQCLSA-N 339.342 1.804 0 40 EDAB O=C(c1cc2n(n1)CCCO2)N1CCN(c2ccccc2F)CC1 90583576 QHTOFSFFGCJRTJ-UHFFFAOYSA-N 330.363 1.767 0 40 EDAB C[C@H](CN1CCOCC1)N(C)S(=O)(=O)c1cccc2cccnc12 331672612 OXXUHAXJVJFWMW-CQSZACIVSA-N 349.456 1.576 0 40 EDAB O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)[C@@H]1CCCOC1 96432139 OVGSITRXPNZMHD-QBPKDAKJSA-N 328.412 1.686 0 40 EDAB Cc1cc(CN2C[C@@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)no1 96041281 FMBFNUQRBUNZGK-IAOVAPTHSA-N 345.399 1.872 0 40 EDAB Cc1cc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)nn1C 96115196 VLZFWKFFUVRJHZ-ZDUSSCGKSA-N 341.371 1.198 0 40 EDAB biogenic COC[C@@H]1CCC2(CCN(C(=O)c3cnn(C)c3)CC2)N1CC1CC1 96207348 MXXOEJIAFWYBGN-KRWDZBQOSA-N 346.475 1.916 0 40 EDAB O=C(NC[C@@H](O)Cc1ccccc1)c1cnn(-c2ccc(F)cc2)n1 96415619 DMHLDAAYOFJPAZ-INIZCTEOSA-N 340.358 1.740 0 40 EDAB NC(=O)c1cn(CC(=O)N2CC[C@@H](n3cccn3)C2)c2ccccc12 581462720 XLQDTKKBACBXKY-CYBMUJFWSA-N 337.383 1.410 0 40 EDAB Cc1ocnc1C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 96485688 VZROKIOHBLIPNC-UHFFFAOYSA-N 325.372 1.817 0 40 EDAB CCc1ccc(S(=O)(=O)N2Cc3nccn3C[C@H](COC)C2)cc1 96187774 YKSIGFNUNLIZRI-HNNXBMFYSA-N 349.456 1.913 0 40 EDAB CCN1CCCC[C@@H]1C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 96461634 QCZYIXGINZMJNU-QGZVFWFLSA-N 343.431 1.767 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)c2ccc(F)cc2F)n1 96420428 KKKUSXHZOVBSRL-UHFFFAOYSA-N 329.328 1.458 0 40 EDAB CCOC(=O)c1cnn2ccc(NC(=O)c3cn(C)nc3OC)cc12 85471548 WZCYVTOAEXDNGS-UHFFFAOYSA-N 343.343 1.505 0 40 EDAB CN(C)C[C@H]1CCC2(CN(C(=O)c3cccc4c3OCCO4)C2)OC1 248123178 NUXQHDIYIADOSA-CQSZACIVSA-N 346.427 1.641 0 40 EDAB COCCN(C)C[C@H]1CO[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 248021411 FODUAQGJUJNMCB-LPHOPBHVSA-N 347.459 1.671 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCO[C@H](c2cnccn2)C1 257294609 QUWRVPXMWRAXSX-INIZCTEOSA-N 327.340 1.462 0 40 EDAB CN(C(=O)CCN1CCOCC1)[C@@H]1CCCN(c2ccccn2)C1 257328000 XDSYUMADCIFJHQ-MRXNPFEDSA-N 332.448 1.231 0 40 EDAB O=C(Cc1cccnc1)N[C@@H]1C[C@H]2Oc3ccccc3N[C@H]2[C@@H]1O 257200714 AEPJGLBWTBHIFQ-MOIQIXESSA-N 325.368 1.115 0 40 EDAB Cc1cc2cc(OCC(=O)N[C@@H]3CCCC[C@@H](O)[C@@H]3O)ccc2n1C 257265722 MAALDFVAEFCMKF-SZVBFZGTSA-N 346.427 1.646 0 40 EDAB Cc1nc2ccccc2n1CC(=O)N1CCO[C@H](c2cnccn2)C1 257224164 FAODTHPAAYZKKB-KRWDZBQOSA-N 337.383 1.735 0 40 EDAB CNC(=O)[C@@]1(C)CN(C(=O)C2(c3ccc(OC)cc3)CC2)CCO1 257335501 YKKRTBDGDJBUJL-QGZVFWFLSA-N 332.400 1.090 0 40 EDAB CN(C)[C@H]1[C@H](NC(=O)c2cscn2)C[C@@H](Oc2ccccc2)[C@@H]1O 257318952 VQBNGPLVQOYSAB-OJLVUWQFSA-N 347.440 1.384 0 40 EDAB Cn1c(=O)n(C)c2cc(CN3CCC4(CC3)OCCC[C@H]4O)ccc21 257344350 ZWVMEAHVZQERKB-QGZVFWFLSA-N 345.443 1.383 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCC[C@H]1c1ccnc(O)n1 257251921 JSVVTLZTBAIELH-ZDUSSCGKSA-N 327.340 1.931 0 40 EDAB CN1CCC[C@@H](c2cnc(N3CC4(CCOCC4)OC3=O)cn2)C1 257218318 DCRMRYVESJIWPY-CYBMUJFWSA-N 332.404 1.792 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)c3cnc(O)nc3O)CCN2C)cc1 257257564 KQDXEUPXBBBURS-AWEZNQCLSA-N 344.371 1.025 0 40 EDAB O=C(c1cnco1)N1CCOC[C@H](Cc2nccn3cccc23)C1 257269447 MPYNIBCAQLZLIE-CYBMUJFWSA-N 326.356 1.654 0 40 EDAB Cc1ccnn1CCC(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257293491 QPRYTYYXMRCNKQ-GOSISDBHSA-N 343.431 1.124 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 257333926 YDRSNZWHTGJXIJ-AWEZNQCLSA-N 345.403 1.824 0 40 EDAB Nc1nccnc1C[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 257222378 DTBKHPAHZJSEGT-CYBMUJFWSA-N 332.429 1.702 0 40 EDAB CCn1cc(CN2CCN(C)[C@@H](c3cccc(C(=O)NC)c3)C2)cn1 257273839 NILRWMGVWFLIIS-GOSISDBHSA-N 341.459 1.751 0 40 EDAB O=S(=O)(NCCc1cnccn1)c1c(F)c(F)cc(F)c1F 252506572 WAOGKUVYROAQEM-UHFFFAOYSA-N 335.282 1.554 0 40 EDAB CC(C)N1CCC[C@@](CCCc2ccccn2)(C(=O)NCC(N)=O)C1 257222254 DSONDUCLGJANCE-LJQANCHMSA-N 346.475 1.496 0 40 EDAB C[C@@H]1CC[C@@H](CCC(=O)NCc2cccc(N3CCOCC3)n2)O1 274772950 JBWQCSOUONRPGZ-ZBFHGGJFSA-N 333.432 1.882 0 40 EDAB CCOc1ccc(Cn2nnnc2N2CCC(CO)(OC)CC2)cc1 1616032434 DNKONKZJLXIKQA-UHFFFAOYSA-N 347.419 1.098 0 40 EDAB CC1(C2CCN(c3nnnn3[C@@H]3CO[C@H](C4CC4)C3)CC2)OCCO1 1616031886 FMFBHLFMZKVHAY-GJZGRUSLSA-N 349.435 1.393 0 40 EDAB COc1cncnc1NC(=O)N1CCN(c2ccccc2F)CC1 294170953 JFJPUNUCKHPIMT-UHFFFAOYSA-N 331.351 1.978 0 40 EDAB Cc1cc(O)nc(CNC(=O)c2cnn(C)c2-n2c(C)ccc2C)n1 585140779 KWMYYQKCXUNDHT-UHFFFAOYSA-N 340.387 1.562 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC2(CC1)OCCO2 24995001 BJIBFNQLPBQOSZ-INIZCTEOSA-N 346.427 1.807 0 40 EDAB O=C(c1ccnc(F)c1)N1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 585101598 KZMMJIGUHMNUGV-KRWDZBQOSA-N 341.346 1.280 0 40 EDAB Cc1cc(C)c(C)c(OC[C@@]2(O)CN(C3CCOCC3)CC[C@@H]2O)c1 585286861 JRAQIFJMYCNQDS-PMACEKPBSA-N 349.471 1.967 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)c1cnc2ccccc2c1 585279718 XYDULLFZFSUVRH-SFHVURJKSA-N 327.384 1.731 0 40 EDAB COc1ccc(OC)c(N2C[C@H](C(=O)NCC(F)(F)F)CC2=O)c1 29974349 WCYBBFQVAAUCJE-SECBINFHSA-N 346.305 1.735 0 40 EDAB COCCNC(=O)N1CCN(Cc2nc3ccccc3n2C)CC1 44225191 AOLBAELKDRBGNU-UHFFFAOYSA-N 331.420 1.047 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O 47005666 FOAFJDPRXCEBJQ-HZSPNIEDSA-N 332.466 1.122 0 40 EDAB CCOc1ccc([C@@H](C)NS(=O)(=O)N2CCOCC2)cc1OC 47608037 XSPOQIIASZKQPQ-GFCCVEGCSA-N 344.433 1.322 0 40 EDAB CC(C)(NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)C(N)=O 57051032 KESULJSQHUEYIS-UHFFFAOYSA-N 348.353 1.633 0 40 EDAB O=C(NCc1nccn1Cc1ccccc1)N1CCC[C@@H](CO)C1 74818066 LNRVKYLYMIAPGA-MRXNPFEDSA-N 328.416 1.845 0 40 EDAB Cc1ccc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)c(=O)[nH]1 75119894 OGODYDNKHFKPJN-UHFFFAOYSA-N 341.289 1.949 0 40 EDAB CN(C)c1nc(CNC(=O)N2CCCN(CC(F)F)CC2)cs1 95980819 SLECQVSHVGFHEW-UHFFFAOYSA-N 347.435 1.692 0 40 EDAB Cc1noc(C)c1C(=O)N1CCC(S(=O)(=O)CC(C)C)CC1 96374539 RIRWLQLDVSBYEA-UHFFFAOYSA-N 328.434 1.967 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)CCn2cncn2)cc1 583616215 WGKPMZVQUVYWRR-AEFFLSMTSA-N 344.415 1.576 0 40 EDAB O=C(NCCCc1ccccn1)c1cnc(N2CCOCC2)nc1 12148578 GKOMOEYKBRXGLC-UHFFFAOYSA-N 327.388 1.071 0 40 EDAB CN1CCN(c2nc3nonc3nc2Nc2ccccc2F)CC1 5248202 CLXMYXRVXGIXNP-UHFFFAOYSA-N 329.339 1.647 0 40 EDAB CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccccc2)[nH]c1=O 12629475 OVPKOVKFMVCHIK-UHFFFAOYSA-N 334.357 1.165 0 40 EDAB Cc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(F)cc2)CN=3)o1 13454236 PNAKZRONZQDTON-NVNXTCNLSA-N 343.383 1.834 0 40 EDAB O=C(NCc1ccccc1)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858486 XTDGHZAMLUONGU-UHFFFAOYSA-N 344.392 1.683 0 40 EDAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 17852766 HPUAICTTWDTIBG-VIFPVBQESA-N 337.401 1.359 0 40 EDAB CNC(=O)c1ccc(-c2ccc([C@@H]3CN(C(C)=O)CCO3)nc2)cn1 19693572 PCRDWWYQFCDTPI-KRWDZBQOSA-N 340.383 1.423 0 40 EDAB N[C@H](CSCc1ccc(I)cc1)C(=O)O 1671680 HTQDGUXVWLEMQW-SECBINFHSA-N 337.182 1.936 0 40 EDAB in-vitro O=C(c1cc(C2CC2)on1)N1C[C@H]2O[C@H](C[C@H]2C(=O)N2CCCC2)C1 1565546974 CPZVPCXCHJWESI-XJKCOSOUSA-N 345.399 1.404 0 40 EDAB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565545316 CXQSZCKKPHXLGV-HALDLXJZSA-N 330.432 1.141 0 40 EDAB O=C(N1CCn2c(nc(CN3CCCC3)cc2=O)C1)C1(F)CCC1 1565555046 OZUGBCXSMFVNGJ-UHFFFAOYSA-N 334.395 1.074 0 40 EDAB O=C(c1ccsc1)N1CCO[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 1565541573 RRPHJYQQORDPMD-MAUKXSAKSA-N 342.420 1.873 0 40 EDAB COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1CCOCC1 7457803 PTFQLDWMWAGLJU-UHFFFAOYSA-N 329.356 1.022 0 40 EDAB O=C1NCCOc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 8961775 YAMBHCZAKIENIF-UHFFFAOYSA-N 336.344 1.749 0 40 EDAB CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 9156802 QLWILPBFPIZONB-UHFFFAOYSA-N 341.415 1.133 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)COc2ccccc2)C1 2055772277 PYZLPLZBWKECHL-GOSISDBHSA-N 342.399 1.026 0 40 EDAB Cc1cccc(CN2CCC(C(=O)N(C)C)(n3cccn3)CC2)n1 2055772773 BQDUXCKZTBCQAQ-UHFFFAOYSA-N 327.432 1.666 0 40 EDAB Cc1cc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)ncn1 2086881876 SEYQJORDNBFRAM-LBPRGKRZSA-N 326.347 1.248 0 40 EDAB CCSc1ccccc1C(=O)N1CC(CN2C(=O)COC2=O)C1 575616472 MLDNMFSTOYQLPY-UHFFFAOYSA-N 334.397 1.849 0 40 EDAB Cc1ccn(-c2ccc(N3CCN([C@H]4CCCC[C@@H]4O)CC3)nn2)n1 2298178394 BLPBDCVTRUJEGJ-HOTGVXAUSA-N 342.447 1.396 0 40 EDAB CN(CC(=O)NC[C@H]1CCCO1)Cc1ccc(Br)o1 30973756 KHCXRHAUKRXENJ-SNVBAGLBSA-N 331.210 1.769 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)NCCc2cccc(F)c2)c1 30997581 JZTZURFBOXKGDW-UHFFFAOYSA-N 337.376 1.837 0 40 EDAB O=C(N[C@@H]1CCCNC1=O)[C@H](c1ccccc1)N1CCSCC1 50633437 NIQYWTHEFKXTIN-CABCVRRESA-N 333.457 1.171 0 40 EDAB Cc1cc(-n2c(C)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2C)no1 40490005 YDXZHDVMLFNZMP-LBPRGKRZSA-N 337.401 1.307 0 40 EDAB Cc1nc(C(=O)NCCC(=O)N2CCCC2)nn1-c1ccc(F)cc1 40468686 GTDXBQNDJBXAKZ-UHFFFAOYSA-N 345.378 1.457 0 40 EDAB COc1ccc(C2(C(=O)N3CCO[C@@H](C(N)=O)C3)CCCCC2)cc1 50842202 ZHFDOIADQVZTDH-MRXNPFEDSA-N 346.427 1.610 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 219715 RWSKBHFUZCPHBX-GOEBONIOSA-N 332.400 1.339 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)CCO1 51612945 PHTQUYQZPDOXTI-HNNXBMFYSA-N 333.388 1.726 0 40 EDAB O=C(CCc1ccco1)NCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101572247 UURQWEDSUJETPS-MGBSGCIJSA-N 342.395 1.526 0 40 EDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nnc(C2CC2)s1 102299111 RVVJPJGZJJOPLE-GHMZBOCLSA-N 348.428 1.919 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 102402119 FQKBRLJTDBIJPT-KBPBESRZSA-N 344.367 1.587 0 40 EDAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccco2)s1 21897237 YZZKKTOYLHHBAL-UHFFFAOYSA-N 328.415 1.363 0 40 EDAB COc1cccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)c1 416080 OUZNLTMTXMVQLL-UHFFFAOYSA-N 341.392 1.972 0 40 EDAB Cc1ccc(-c2noc(CCC(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1 17637938 VDDNOYBHBRTOJG-ZDUSSCGKSA-N 349.412 1.281 0 40 EDAB CCN(CC)[C@@H](C(=O)OCc1nc(N)nc(N)n1)c1ccccc1 69737569 DSEBSVSKSCZGFO-CYBMUJFWSA-N 330.392 1.162 0 40 EDAB O=C(c1cc(F)c(F)c(F)c1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 102978947 NULAIDFHDJRBHF-JTQLQIEISA-N 333.331 1.896 0 40 EDAB CCOc1ccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)cc1 854593 QRESZHRXPZKZPF-UHFFFAOYSA-N 349.412 1.885 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CC(=O)N(C)Cc3ccsc3)CCO2)n1 76048556 GVZQMNSZDVNXMU-ZDUSSCGKSA-N 335.433 1.207 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@@H]3CSc4ccccc43)CCO2)n1 76045371 ONDAPKVEDMOZTJ-CHWSQXEVSA-N 330.413 1.903 0 40 EDAB CN(C(=O)COC(=O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 3385694 LOWIRHCQIDEDIZ-GFCCVEGCSA-N 345.804 1.142 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(N)=O 4350420 JMQDNQOEVBFEHQ-GRYCIOLGSA-N 327.425 1.402 0 40 EDAB CCOC(=O)C(=O)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 6544824 DMGYLQIYUIJBNT-CYBMUJFWSA-N 330.262 1.437 0 40 EDAB COC(=O)c1ccc(OC(=O)CN2C(=O)COc3ccccc32)cc1 7842853 JAEGIXIMMPVFBB-UHFFFAOYSA-N 341.319 1.804 0 40 EDAB COCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 10128525 XAWLNSSJKXCTNP-OAHLLOKOSA-N 340.445 1.301 0 40 EDAB C[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)c1ccc2[nH]c(=O)[nH]c2c1 54080093 BBDQIBILYFOCCU-SNVBAGLBSA-N 349.354 1.323 0 40 EDAB C[C@H](C(=O)/N=c1/sccn1Cc1ccccc1F)S(C)(=O)=O 104312928 CZOSYTOEQDVFKW-LGMFZICMSA-N 342.417 1.597 0 40 EDAB CNC(=O)c1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1 8213336 IWZAWIMGNNENDY-UHFFFAOYSA-N 342.351 1.856 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)NC(=O)NCc1ccccc1 8381218 JXCDZQJUZXEGSU-UHFFFAOYSA-N 337.335 1.309 0 40 EDAB COCCN(CCOC)C(=O)[C@H](NC(=O)c1cccs1)C(C)C 23296360 BOEJBTLUEOHICE-CQSZACIVSA-N 342.461 1.624 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 12460316 ZVJNHGDKTQTREK-UHFFFAOYSA-N 348.380 1.634 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C[C@@H](C)O1 55216216 YYWYBTBKYAIQSE-VXGBXAGGSA-N 338.429 1.759 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H](C)Cn2ccnc2)C1=O 42513642 UMFUYWNABVYFKO-KGLIPLIRSA-N 342.399 1.592 0 40 EDAB CC(=O)Nc1ccc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 24084505 JWVSEFJXJICGFJ-QGZVFWFLSA-N 333.432 1.732 0 40 EDAB Nc1cc(CCCNC(=O)NC[C@@H]2CCCO2)nn1-c1ccccc1 42865961 VUVAFAFDPCVODL-INIZCTEOSA-N 343.431 1.865 0 40 EDAB COc1ccc(NC(=O)c2cccc(C)n2)cc1S(=O)(=O)N(C)C 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CN1CCN(C[C@H]2CCC[C@]3(CCN(Cc4cccnc4)C3)O2)CC1 96215222 KNZDAIFTSJGMMY-WOJBJXKFSA-N 344.503 1.843 0 40 EDAB Cc1nc(CO[C@@H]2CN(S(C)(=O)=O)Cc3ccnn3C2)cs1 248001699 CJBOEHGODBCSSM-CYBMUJFWSA-N 342.446 1.009 0 40 EDAB O=C(C1CCSCC1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 247849311 IHNOMEGTHIGFSC-CQSZACIVSA-N 349.456 1.759 0 40 EDAB Cc1cc(CCC(=O)O)nc([C@H]2CCCN(C(=O)C(C)(C)N)C2)n1 257242881 IEOYFVFBDDBNAS-LBPRGKRZSA-N 334.420 1.246 0 40 EDAB Cc1cc(CNC(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)no1 585121886 DWXJFRDTVPKHKX-OCCSQVGLSA-N 344.289 1.410 0 40 EDAB CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccccc1C 585113743 AEQACJFKUGZNAJ-WMLDXEAASA-N 326.400 1.961 0 40 EDAB CN(C)c1nccnc1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCO1 257209587 BQYZDRCOJDEPPT-AWEZNQCLSA-N 348.428 1.305 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)CCO2)n1 257317351 VJKWBSMGQRZCSR-SNVBAGLBSA-N 343.309 1.534 0 40 EDAB CCn1cc(C(=O)N2CCO[C@@H](c3cc(O)nc(C)n3)C2)c(C)n1 257246788 IVVRKXZMIUUWEN-CQSZACIVSA-N 331.376 1.229 0 40 EDAB O=C(c1cnco1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257205801 BAPJSBXCOCEHEL-GOSISDBHSA-N 327.384 1.310 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)c3ccncc3)CC[C@H]21 257337217 YRXOJQPXWMNKDI-JKSUJKDBSA-N 331.416 1.571 0 40 EDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)C2CCN(C)CC2)n1 257300680 RVHHQFGJBWDHOE-GOSISDBHSA-N 344.459 1.723 0 40 EDAB CCN1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1c(C)cccc1F 252493687 NFFSGEGPJPJJEY-HUUCEWRRSA-N 342.436 1.618 0 40 EDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(C)s3)C2)ncn1 257249223 JHIGHPYZOYEIPX-QGZVFWFLSA-N 346.456 1.868 0 40 EDAB O=C(COc1ccc(F)cc1F)Nc1ccc(-n2cncn2)nc1 24895522 BVBWUNBNLWPKNJ-UHFFFAOYSA-N 331.282 1.958 0 40 EDAB Cn1cc(S(=O)(=O)N[C@H]2C[C@@H](N)C23CCC3)c(C2CCCC2)n1 1615057031 CXBBLPZSLISOCN-KGLIPLIRSA-N 338.477 1.626 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)C[C@H]2C[C@@H]2Cc2ccccc2)CC1 1615210839 PRJMCTQERYYOTC-JKSUJKDBSA-N 336.457 1.359 0 40 EDAB Cc1csc(CN(C[C@H]2CCCO2)C(=O)c2cnc(C)nc2N)n1 1615557167 JSWWUUGXEYUVGF-GFCCVEGCSA-N 347.444 1.954 0 40 EDAB COc1cc([C@@H](C)NC(=O)c2ccnn2C)ccc1S(C)(=O)=O 1615613911 BZGCLMGINSNRIA-SNVBAGLBSA-N 337.401 1.323 0 40 EDAB CCc1nccn1CC(=O)N1CC[C@@](O)(COc2ccccc2C)C1 585275642 FMKWYFAVYNYUQO-IBGZPJMESA-N 343.427 1.796 0 40 EDAB CO[C@H]1CCN(C(=O)CCN2CCOCC2)C[C@H]1Cc1ccccc1 585272339 NFZLIKUXCZGSAG-MOPGFXCFSA-N 346.471 1.815 0 40 EDAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2cnc(C3CC3)nc2)C1 585279707 XTDYNZZZROMFNT-QGZVFWFLSA-N 332.404 1.241 0 40 EDAB Cc1ccc(CC2CN(C(=O)N[C@H]3COC[C@H]3n3ccnn3)C2)cc1 664855985 GABABKITSACIGC-DLBZAZTESA-N 341.415 1.411 0 40 EDAB COc1ccccc1-c1cnc2n1CCN(C(=O)[C@H]1CCOC1)CC2 585111534 UTVXEAPOUJNHSJ-AWEZNQCLSA-N 341.411 1.980 0 40 EDAB Cn1cncc1C(=O)NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585285809 SHFUMZOYNBEOQB-KBRIMQKVSA-N 329.400 1.759 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)CCc2cnn(C)c2)C1 585276102 JUQAZDVJYNHBCI-LJQANCHMSA-N 343.427 1.704 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)C3=NN(CC)C(=O)CC3)C2)no1 72271434 MHERZSZPTBHPQT-NSHDSACASA-N 333.392 1.336 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCN(C[C@@H](O)c2ccco2)CC1 85436720 CRIJFWYUELUKKH-MRXNPFEDSA-N 347.415 1.695 0 40 EDAB Cc1cc(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)n(C)n1 89591749 MVCIPAMTYHJBRO-UHFFFAOYSA-N 325.365 1.665 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)no1 61205725 BVYLWLCLIUVQOP-UHFFFAOYSA-N 343.383 1.712 0 40 EDAB CC(C)(CNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)NS(C)(=O)=O 89761759 GFMXGYYRSGWYEF-QWHCGFSZSA-N 343.424 1.309 0 40 EDAB Cc1noc([C@@H]2COCCN2Cc2ncn(-c3ccccc3)n2)n1 97096281 KCJCVABHKGMPHT-AWEZNQCLSA-N 326.360 1.532 0 40 EDAB Cn1nccc1C(=O)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C1 585614826 ZBEIKMGQUDHSKY-KBPBESRZSA-N 338.415 1.296 0 40 EDAB COC(=O)N(C1=Cc2ccccc2S1(=O)=O)[C@H](C(=O)O)C(C)C 1570005756 MZXFFNHZLADSOB-ZDUSSCGKSA-N 339.369 1.950 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2nc(-c3ccco3)cc(N)c2=O)C1 12146682 UYYPXCFIRABRMC-TXEJJXNPSA-N 330.388 1.590 0 40 EDAB Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)s1 12367354 WHRMYTNCEVDRCV-NSHDSACASA-N 347.444 1.951 0 40 EDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)OCO2 12375162 DTXFRXHVAZUGKX-VXGBXAGGSA-N 328.324 1.305 0 40 EDAB CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3C[C@@H](C)O[C@H](C)C3)C2=O)cc1 13116426 KKTGZRNDWLAPHX-XHBSWPGZSA-N 345.399 1.386 0 40 EDAB Cc1c(Cl)cccc1N(CC(=O)NCCN(C)C)S(C)(=O)=O 13672038 KRDDBOYFNNBJTL-UHFFFAOYSA-N 347.868 1.092 0 40 EDAB Cc1c(C(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cnn1C 19553266 MPMGWXYBPRHEBB-CYBMUJFWSA-N 341.415 1.251 0 40 EDAB COCCN1CCN(Cc2nc(-c3cccnc3Cl)no2)CC1 19593426 IOCLQGFMUIZSMO-UHFFFAOYSA-N 337.811 1.549 0 40 EDAB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)N[C@H](CO)Cc1ccccc1 153275036 JBVFABOLHARZNQ-UXLLHSPISA-N 347.459 1.679 0 40 EDAB CC[C@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 13371412 BQSMDNZGVFIGAE-BPNCWPANSA-N 349.449 1.153 0 40 EDAB CCn1c(SCCN2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 16839544 KXRWYVVEXCQTLD-UHFFFAOYSA-N 337.449 1.021 0 40 EDAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCC(C)C)c2C)n1 16849646 SYVZIDIQTUUUGM-UHFFFAOYSA-N 331.420 1.586 0 40 EDAB CN(C)Cc1cc(CNC(=O)[C@@H]2CCc3cncn3C2)ccc1F 574693303 BLVUWGBZWVLBAN-CQSZACIVSA-N 330.407 1.963 0 40 EDAB CN1c2ccccc2N(C2CCN(C(=O)C3CCC3)CC2)S1(=O)=O 390830729 MYCHNHUGEZVORV-UHFFFAOYSA-N 349.456 1.979 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cn[nH]c5)C[C@H]4C3)n1)CCC2 1888867113 STARJDWXQHYCMC-ZIAGYGMSSA-N 338.415 1.205 0 40 EDAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]3C2)nn1 1888870004 NYKOITFYOJBOKN-TXEJJXNPSA-N 341.419 1.101 0 40 EDAB CNC(=O)Cc1csc(NC(=O)c2cc3c(nn2)CCCC3)n1 1888879299 HZQSPTHJXDFDFD-UHFFFAOYSA-N 331.401 1.353 0 40 EDAB O=C(NCC1(O)CSCCSC1)c1ccc2c(c1)OCO2 1888913387 IPFHYTWRGUXQQG-UHFFFAOYSA-N 327.427 1.356 0 40 EDAB Cc1cc(=O)n(CC(=O)N2CCC(N(C)c3ccccn3)CC2)cn1 1889128219 FIIZELHYNGHJJS-UHFFFAOYSA-N 341.415 1.074 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCn3nccc3C2)cc1F 238955273 XVKHZXKOUGEVCU-UHFFFAOYSA-N 325.365 1.625 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCn3nccc3C2)cc1 238951718 XBJCVYJGWWLNQF-UHFFFAOYSA-N 336.373 1.266 0 40 EDAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(C(=O)C3CCC3)[C@@H]2CN1 2037984342 YAGUVWGLDMPSLG-BFYDXBDKSA-N 332.375 1.435 0 40 EDAB COc1cccc(C(=O)N2CC[C@@H]3OCC(=O)N(C(C)C)C[C@H]3C2)c1 2037985397 IPPVVKHMYNZFEM-WBVHZDCISA-N 346.427 1.793 0 40 EDAB O=C(CSc1nnc(NC(=O)C2CC2)s1)NCc1ccco1 4328572 YVAZYMNIAIHEHZ-UHFFFAOYSA-N 338.414 1.888 0 40 EDAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCCCC1 4304774 JUOLDAJCERLHTI-UHFFFAOYSA-N 335.429 1.842 0 40 EDAB CCCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 13331518 YHGVYQKTZGGTDZ-UHFFFAOYSA-N 328.409 1.849 0 40 EDAB CN1CCN([C@H](CC(=O)Nc2cccc3ccccc23)C(=O)O)CC1 22584945 BQTWCKBEKYWMBQ-QGZVFWFLSA-N 341.411 1.869 0 40 EDAB COc1ccc(CCNC(=O)NCC[C@H](O)C2CCOCC2)cc1 217929953 LXFSPYGHJPPLKY-KRWDZBQOSA-N 336.432 1.715 0 40 EDAB CC(=O)Nc1ccc(C(=O)NCCCc2cnc3ncnn3c2)cc1 225644106 PVSQJVPOJSGRQJ-UHFFFAOYSA-N 338.371 1.445 0 40 EDAB C[C@H]1CN(c2ccc(C(=O)N(C)Cc3cnn(C)c3)cn2)C[C@@H](C)O1 30038429 YEFYLFQVMGBLTA-OKILXGFUSA-N 343.431 1.701 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)c1ccc(C)s1 30848390 CRIOEBPLOJJYGK-LLVKDONJSA-N 326.418 1.490 0 40 EDAB NS(=O)(=O)c1cc(C(=O)NCCc2ccccc2)ccc1Cl 33019380 NPXXJRHCHRTCFZ-UHFFFAOYSA-N 338.816 1.960 0 40 EDAB Cc1c(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C 390374 QOOKFECIGXERRL-SDSIWUNFSA-N 349.390 1.796 0 40 EDAB C[C@H](CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)N1CCOCC1 29962007 PWHASRNTOXMNQD-RISCZKNCSA-N 335.379 1.088 0 40 EDAB CCCCn1nc(C(=O)N2CCCC[C@@H]2Cn2cccn2)ccc1=O 69977002 BWSPDWWRFVFBOC-OAHLLOKOSA-N 343.431 1.935 0 40 EDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N[C@H]1CCN2CCCC[C@@H]12 60568134 DCROPQAJJPNSHZ-STQMWFEESA-N 343.349 1.610 0 40 EDAB CCN(C(=O)[C@H]1COc2ccccc2C1)[C@@H](C)CS(=O)(=O)CC 69950529 JBWNKOIEFSIOEF-DZGCQCFKSA-N 339.457 1.909 0 40 EDAB C[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCC1 12198325 LGPPTOPTJYTMLJ-LBPRGKRZSA-N 326.418 1.220 0 40 EDAB CC(C)(C)n1ncc2c(=O)[nH]c(N[C@@H]3c4ccccc4C[C@@H]3O)nc21 76094808 YKAXCLCASLQLBK-UONOGXRCSA-N 339.399 1.945 0 40 EDAB CCC(=O)N1CCC[C@H](C(=O)NCC2(SC)CCOCC2)C1 76041199 ZXJWBYNFSBJTLJ-ZDUSSCGKSA-N 328.478 1.663 0 40 EDAB CC(C)NC(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O 1330941 JRDHPBZIHVSMQI-UHFFFAOYSA-N 345.790 1.760 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)c1nn(-c2ccccc2)cc1OC 78951376 BGAQUEDMFHDSCI-UHFFFAOYSA-N 344.415 1.868 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCC(N2CCNC2=O)CC1 53282579 USKBIULILLNDMV-ZDUSSCGKSA-N 348.451 1.281 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1 3336987 TWEMZEDWGYKAKI-UHFFFAOYSA-N 348.380 1.035 0 40 EDAB O=C(O)CSc1nnc(NC(=O)COc2ccccc2)s1 4107208 LAWLUDNRJZKAPO-UHFFFAOYSA-N 325.371 1.732 0 40 EDAB CCOC(=O)C1=C(C)N(N)C(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 6439037 NVPYJLXNIRIQBF-LBPRGKRZSA-N 336.373 1.537 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 6845657 OPCRUYWZCROQEC-KLUNEYRZSA-N 342.395 1.825 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(C)cc2)ccc1OC 8475981 PYQSHLJEPWADHZ-UHFFFAOYSA-N 348.424 1.842 0 40 EDAB CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(N(C)C)nc2)CC1 71841811 GYVDJXIKLZYCOB-HNNXBMFYSA-N 333.480 1.151 0 40 EDAB Cc1ccc(Cn2cnc(NC(=O)c3nc4ncccn4n3)n2)cc1 2808729 QICXKIZYVDFJRU-UHFFFAOYSA-N 334.343 1.325 0 40 EDAB CC(C)N1[C@@H]2CC[C@@H]1CN(C(=O)c1ccccc1-n1cnnn1)CC2 102705565 MDZVDIUOBLLOTF-HUUCEWRRSA-N 340.431 1.750 0 40 EDAB Cc1n[nH]c2ncc(C(=O)N3CCCN(c4cccnn4)CC3)cc12 71860345 DZXLCKHXRLIYAG-UHFFFAOYSA-N 337.387 1.409 0 40 EDAB Cc1c([C@@H](C)NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cnn1C 24998092 IAGWGEXPDSXCKR-LLVKDONJSA-N 339.399 1.775 0 40 EDAB C[C@@H]1CN(C[C@@H](O)Cn2nc(-c3ccccc3)ccc2=O)C[C@@H](C)O1 106830562 BUGXATROIKSUJR-BFYDXBDKSA-N 343.427 1.380 0 40 EDAB COC(=O)Cn1/c(=N\C(=O)c2cc(C)no2)sc2ccccc21 101315290 KFWTZVFJLXZCCK-FOCLMDBBSA-N 331.353 1.913 0 40 EDAB COc1ccc(-c2nc3s/c(=C/c4ccncc4)c(=O)n3n2)cc1 34913742 IJAIIUOXKWPULB-GXDHUFHOSA-N 336.376 1.769 0 40 EDAB CCCOc1ccc([C@H](C)N[C@@H](C)C(=O)NC(=O)NC)cc1OC 56161888 BPUSGUHITLLMLI-RYUDHWBXSA-N 337.420 1.979 0 40 EDAB CN1CC[C@H](N(C)C(=O)CCc2nnc(-c3ccccc3)o2)C1=O 83877448 FPFFLHAPHXKVTK-ZDUSSCGKSA-N 328.372 1.358 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)c3c[nH]nc3-c3ccccc3)C2)cn1 71910842 UNUOZVKWSXHYLY-CQSZACIVSA-N 336.399 1.819 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCc2cnn(C)c2)[C@H]1c1cccc(Cl)c1 71908824 HTOXITUYPOETFZ-GOEBONIOSA-N 346.818 1.909 0 40 EDAB CC(=O)N[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C 44874628 YBMKKNKACXITCJ-IAQYHMDHSA-N 340.445 1.428 0 40 EDAB Cc1ccnc(NC(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)c1 57355299 GKGHYWPWIGKADK-UHFFFAOYSA-N 343.387 1.377 0 40 EDAB CCOC(=O)CN(Cc1ccccc1)C(=O)CCNC(=O)[C@H]1C[C@H]1C 58214357 RDECESWPDQBIEI-ZBFHGGJFSA-N 346.427 1.741 0 40 EDAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCC(n2cncn2)CC1 58202064 BDVWYXWROTZEIX-KRWDZBQOSA-N 325.416 1.935 0 40 EDAB CN(CCCc1ccccc1)C(=O)CN(C)c1ncnc2[nH]cnc12 58277537 ATYNQIKQPVEWIZ-UHFFFAOYSA-N 338.415 1.880 0 40 EDAB COc1c(CNCc2cccnc2-n2ccnc2C)c(C)nn1C 58299773 ALLZIJNZAFFRRU-UHFFFAOYSA-N 326.404 1.916 0 40 EDAB CCN1CCC[C@H](CNC(=O)c2ccccc2S(=O)(=O)CC)C1 58275897 BZYUVKSEDAONBP-CQSZACIVSA-N 338.473 1.942 0 40 EDAB C[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1ccncc1 44950090 IHTYEPVDUAVSNJ-ZDUSSCGKSA-N 326.404 1.901 0 40 EDAB Cc1ccn(-c2ccc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cc2)n1 44939656 GROHZUNAFWIXCN-CYBMUJFWSA-N 333.413 1.345 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc(Br)s2)CCO1 10681827 ZBXCYBHXNKTNDE-ZETCQYMHSA-N 326.237 1.920 0 40 EDAB Cc1cc(OCC(=O)NC2CCN(CC(N)=O)CC2)ccc1C(C)C 48272363 FLMKOOCBFXRHTK-UHFFFAOYSA-N 347.459 1.563 0 40 EDAB O=C(NC[C@@H](O)c1ccc(O)cc1)C(=O)Nc1cccc2[nH]ccc12 36370080 LAPIIMNGJPXIBI-MRXNPFEDSA-N 339.351 1.662 0 40 EDAB biogenic CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207332 DOAHMHZZZWANMP-GFCCVEGCSA-N 328.434 1.621 0 40 EDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc3c(c1)OCO3)CS2 23679918 QNOPYVJEHAYQAJ-MEDUHNTESA-N 334.397 1.486 0 40 EDAB Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)no1 46159399 XRHUXCUCBBCFKJ-QMMMGPOBSA-N 343.792 1.973 0 40 EDAB CC(C)CN1C(=O)C(=O)N(CC(=O)NCCCc2ccccc2)C1=O 3443768 IAQUQURTZYWIKQ-UHFFFAOYSA-N 345.399 1.182 0 40 EDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C(=O)OC)ccc2C)C1=O 12924722 QKLWEPQHYFQGSW-QGZVFWFLSA-N 347.371 1.441 0 40 EDAB O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 12983899 DMKIVMAXJYLMGT-GQOHGMTASA-N 349.330 1.902 0 40 EDAB CN(C(=O)CCc1ncc(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 13020405 GKOHGJMQTVBXKP-AWEZNQCLSA-N 348.424 1.920 0 40 EDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21 6239477 YGZBWSMFJHFQGQ-UHFFFAOYSA-N 343.408 1.628 0 40 EDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2CCc1cc2ccccc2[nH]1 9547539 CZEFRXWUHIOMAN-UONOGXRCSA-N 335.454 1.066 0 40 EDAB Cc1csc(N2CCC(C(=O)NCCNC(=O)C3CC3)CC2)n1 65407719 FCKALVPHPJANDB-UHFFFAOYSA-N 336.461 1.310 0 40 EDAB CCOC(=O)c1nc(NC(=O)c2nccnc2C(=O)O)sc1C 71282966 VEMQZDKXBOOQIA-UHFFFAOYSA-N 336.329 1.369 0 40 EDAB CC(=O)N1CCC(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1 9155781 FRTHMUNZGISOEP-UHFFFAOYSA-N 342.399 1.140 0 40 EDAB CCOc1ccccc1N(CC(=O)NCC(C)C)S(C)(=O)=O 5654524 GGKYJXBWVNQPTG-UHFFFAOYSA-N 328.434 1.624 0 40 EDAB Cc1n[nH]c2c1[C@@H](c1ccccc1)N(CCN1CCOCC1)C2=O 15105847 MKGQRZURBGZPEY-QGZVFWFLSA-N 326.400 1.596 0 40 EDAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NCc2ccco2)c1 6903463 IGOJXRJASTUOGT-UHFFFAOYSA-N 344.367 1.486 0 40 EDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc[n+]1[O-] 80310756 QROPAFDPOWDVHD-OAHLLOKOSA-N 339.351 1.315 0 40 EDAB CCC(CC)NC(=O)COC(=O)CCn1c(=O)oc2ccccc21 7620996 WXNDZMXUDINFRO-UHFFFAOYSA-N 334.372 1.833 0 40 EDAB COC(=O)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N 9320682 LEALKRLHWZYAEP-UHFFFAOYSA-N 330.373 1.314 0 40 EDAB COc1ccc(NC(=O)C(=O)NCCc2c(C)noc2C)cc1OC 71886104 NTGGPKIAUWIIDJ-UHFFFAOYSA-N 347.371 1.606 0 40 EDAB Cc1cccc(OCCNC(=O)CNc2cccnc2C(N)=O)c1 69419723 OKZMFWPSGUTWFK-UHFFFAOYSA-N 328.372 1.096 0 40 EDAB CCn1ccnc1CN1CCN(CC(=O)Nc2cccnc2)CC1 69418093 KKJIWQBVUVFGIO-UHFFFAOYSA-N 328.420 1.054 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2C)CC1 69619736 XBIKXZZCWDJCMQ-UHFFFAOYSA-N 329.397 1.633 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)ccc1-n1cnnn1 69655265 CTXQWMMTVDVPNB-DLBZAZTESA-N 340.431 1.670 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)NCCc1nc2ccc(F)cc2n1C 71890926 WBWIWYKUQBTFTF-JSGCOSHPSA-N 349.406 1.955 0 40 EDAB Cn1c(Cl)cnc1CN1CCCN(C(=O)c2ccc(=O)[nH]c2)CC1 69705942 CJJFXFCBSDCZSW-UHFFFAOYSA-N 349.822 1.110 0 40 EDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 71797418 AILMECVNKWSZLO-CJNGLKHVSA-N 332.375 1.737 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2nc(Cc3ccccc3)no2)CC1 69810388 PUJUDIFATGKLAF-OAHLLOKOSA-N 344.459 1.843 0 40 EDAB CN(C)c1cc(C(=O)N2CCCN(c3cccnn3)CC2)ccn1 69899178 WFEQOZHMRXAHQQ-UHFFFAOYSA-N 326.404 1.290 0 40 EDAB CCc1nc(CN(C)[C@H]2CCN(Cc3ccn(C)c(=O)c3)C2)no1 72300012 ICDIVOKZMLJMKR-AWEZNQCLSA-N 331.420 1.037 0 40 EDAB O=C(C[C@H]1CCCN1S(=O)(=O)c1c[nH]cn1)c1ccc(F)cc1 97046898 WJXABCKZHCXYFS-CYBMUJFWSA-N 337.376 1.975 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 97012785 CUFSHTXTWAWIOX-AWEZNQCLSA-N 339.392 1.630 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c(=O)[nH]1 72277092 RZDGCOOBIVLMAF-JTQLQIEISA-N 345.321 1.019 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)N3CCN=C3SC)CC2=O)cc1 72297902 RPQOVGQNKUUSRI-ZDUSSCGKSA-N 347.440 1.605 0 40 EDAB Cc1cccc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1 97163317 FTDPMUVAWHZNMV-UHFFFAOYSA-N 340.431 1.343 0 40 EDAB O=C(Nc1cnn(CCN2CCOCC2)c1)NC(C1CC1)C1CC1 84335665 QRBVMKQNAHGXGC-UHFFFAOYSA-N 333.436 1.525 0 40 EDAB CCOc1ncc(C(=O)N2CCN(CCOC)C(=O)C2)cc1Cl 95454098 HSONOVJRCZGLCQ-UHFFFAOYSA-N 341.795 1.065 0 40 EDAB Cc1ccc(NCC(=O)N(C)Cc2ccco2)cc1-n1nnnc1C 95407773 DYIBIKIKZIYGFE-UHFFFAOYSA-N 340.387 1.943 0 40 EDAB COc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc(CNC(C)=O)o2)cc1 95444132 GZXBJJMLWZLQLE-APPDUMDISA-N 346.383 1.776 0 40 EDAB Cn1cc(N2CCC[C@@H](N3CCOc4ccccc4C3)C2=O)cn1 98013258 GKLRLQALILRQCT-MRXNPFEDSA-N 326.400 1.810 0 40 EDAB CCC[C@](C)(NC(=O)COc1cccc(S(C)(=O)=O)c1)C(=O)O 95969839 GMAAYCHLSTYDKD-HNNXBMFYSA-N 343.401 1.229 0 40 EDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nnc2ccccn12 95947208 HYGOMNQTZGMCRA-INIZCTEOSA-N 349.394 1.319 0 40 EDAB CCc1cc(=O)[nH]c(CN(C)Cc2nc(-c3cccnc3)no2)n1 89282854 QJOVPKKYUBAHIF-UHFFFAOYSA-N 326.360 1.409 0 40 EDAB Cc1cc(O)cc(=O)n1CC(=O)N1CCc2c([nH]c3ccccc23)C1 89361042 PKYDRKIBYPNRDK-UHFFFAOYSA-N 337.379 1.929 0 40 EDAB O=C(NCc1cccc2cccnc12)NC[C@@H]1CN2CCC[C@@H]2CO1 89807996 CECAUGFBYKFJHC-IAGOWNOFSA-N 340.427 1.897 0 40 EDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(C(N)=O)cn1 75602412 QRQZFGMTAFUUMP-GFCCVEGCSA-N 347.806 1.853 0 40 EDAB CN(Cc1nnnn1C1CC1)C[C@H](c1cccs1)N1CCOCC1 75603775 VKXCVOLUZHRJMF-CQSZACIVSA-N 348.476 1.575 0 40 EDAB O=C(O)[C@H](Cc1c[nH]c2ncccc12)NS(=O)(=O)c1ccoc1 551911012 VXZUYWXVGUWUOZ-LBPRGKRZSA-N 335.341 1.130 0 40 EDAB O=C1CN(C2CCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 63376287 RGXZDZTXWBDTMP-SJORKVTESA-N 348.468 1.834 0 40 EDAB O=C(CNC(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1)N1CCCC1 110661469 JMCFXUQZNQQSFU-JYJNAYRXSA-N 334.464 1.125 0 40 EDAB CC1(C)CN(C(=O)NCCC[C@@H]2CCOC2)C[C@@]2(CCOC2)O1 515460551 GOUQZLLYCWXVMS-RHSMWYFYSA-N 326.437 1.783 0 40 EDAB CCc1ccc([C@H]2COCCN2C(=O)c2ccn(CCN(C)C)n2)o1 516583011 ZDNCXTPIBMKKSR-MRXNPFEDSA-N 346.431 1.814 0 40 EDAB CS(=O)(=O)NC1CCN(CC(=O)NCCC2=CCCCC2)CC1 32865297 LTIGTCDGBQHKRI-UHFFFAOYSA-N 343.493 1.007 0 40 EDAB COC[C@@]1(C(N)=S)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218466621 OGGRRYXSGGBLQV-NTZNESFSSA-N 333.862 1.769 0 40 EDAB COc1ccccc1N1CCN(C(=O)c2ccc3nnnn3c2)CC1 79476388 DRWVYEPUGCILKK-UHFFFAOYSA-N 338.371 1.095 0 40 EDAB Cc1nc(CCC(=O)NC2CCOCC2)cc(C2CCNCC2)n1 72366871 ZAHFQFBMCVVBGP-UHFFFAOYSA-N 332.448 1.480 0 40 EDAB CC(C)n1ccc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)n1 74064606 RLEDIURJKCFVNG-UHFFFAOYSA-N 346.353 1.995 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccncc3)ccc21 74825351 BCKJRKCWOUKPSS-UHFFFAOYSA-N 331.397 1.469 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2csc(-c3cnccn3)n2)CC1 34192530 RGHVYPNLBFUNPI-UHFFFAOYSA-N 347.400 1.514 0 40 EDAB CC(=O)N1CCN(C)[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 72367421 NVSNBDQZAQOBIO-GOSISDBHSA-N 344.459 1.025 0 40 EDAB CCN(CC)[C@@H](C)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 41912868 KVPNBUICSSFYTL-HNNXBMFYSA-N 342.443 1.752 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCC(Oc2ccccc2F)CC1 72345699 QVDONULNLOECAH-UHFFFAOYSA-N 344.408 1.246 0 40 EDAB CC(C)n1ncc2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cnc21 44722651 HDCVBLMXUBVVPG-LLVKDONJSA-N 336.417 1.177 0 40 EDAB CC(C)N1C(=O)C[C@@H](NC(=O)c2cc(Br)c[nH]2)C1=O 81807143 PCHDCXMNXFWJFB-SECBINFHSA-N 328.166 1.043 0 40 EDAB C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CCN1Cc1ccccn1 96201304 XFFDURVGSIPIOV-CYBMUJFWSA-N 325.416 1.881 0 40 EDAB O=C(CN[C@H](c1cccc(F)c1F)C(F)(F)F)N1CCNC1=O 96502168 RLOLSDODGGPMMQ-LLVKDONJSA-N 337.248 1.710 0 40 EDAB Cc1ccc(N2C[C@]3(CCN(S(=O)(=O)C4CC4)C3)CC2=O)s1 96050891 FGMRAODAPDDJFC-OAHLLOKOSA-N 340.470 1.978 0 40 EDAB CCC(CC)C(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C 96238068 MRPGYWYUDAECTE-LJQANCHMSA-N 344.459 1.767 0 40 EDAB CCOCC(=O)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1 96110449 SBFSMSLQWVTYCK-PBHICJAKSA-N 338.379 1.644 0 40 EDAB Cn1cc(N2C[C@H](C(=O)NCc3ccccc3Cl)CC2=O)cn1 96192252 CYXVRCQEPYIHRT-GFCCVEGCSA-N 332.791 1.743 0 40 EDAB O=C(NC1CC1)[C@H]1CCCN1C(=O)/C=C/c1cnc2ccccc2n1 97205501 RQZJJKHPKUSVCR-OAGJVSPASA-N 336.395 1.913 0 40 EDAB Cn1cccc1C(=O)N1CCC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 96073775 MPILFHOWPXEKAO-RDTXWAMCSA-N 341.415 1.691 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](COCC1CC1)N(C)C2 96209308 BNJHCULDEXUSIX-HNNXBMFYSA-N 330.494 1.549 0 40 EDAB CC(C)c1cc(C(=O)NC[C@@H]2CCCO2)nc(N2CCOCC2)n1 96100972 VHAVXQQGNVFLSM-ZDUSSCGKSA-N 334.420 1.345 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2C(=O)[C@H]2CCCO2)N1Cc1cccnc1 96186362 TVEMNXCHFXCJKN-HRCADAONSA-N 329.400 1.353 0 40 EDAB COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccccn3)C[C@H]21 96043317 HCPFFEYLODTQSQ-IXDOHACOSA-N 333.432 1.071 0 40 EDAB Fc1cnc(N2CCCn3nnc(CN4CCCCC4)c3C2)nc1 96084742 GYLACAQDENHDJQ-UHFFFAOYSA-N 331.399 1.603 0 40 EDAB CC(C)[C@@H](Cn1nccn1)NS(=O)(=O)Cc1cccc(F)c1 238816752 BQHWQEGRRCCRBB-CQSZACIVSA-N 326.397 1.561 0 40 EDAB COc1cc(C(=O)N2CCO[C@H](c3nncn3C)C2)ccc1Cl 583623036 LWZZXOQQNLQJPB-ZDUSSCGKSA-N 336.779 1.691 0 40 EDAB Cn1cc(CN[C@@H]2CCc3c(ccc(=O)n3Cc3ccncc3)C2)cn1 96196610 UPGSMWTZULJLFM-GOSISDBHSA-N 349.438 1.672 0 40 EDAB CNC(=O)NC[C@H]1CCC2(CCN(C(=O)c3ccccn3)CC2)CO1 96224975 GUAWQVLZDFARRA-CQSZACIVSA-N 346.431 1.412 0 40 EDAB Cc1ccc(O[C@H](C)CNC(=O)NC[C@@H]2CN(C)CCN2C)cc1 96440133 OOXFRSCYZRABIT-HZPDHXFCSA-N 334.464 1.307 0 40 EDAB CC(C)C(=O)N1CCN(C(=O)c2ccoc2)C[C@]2(CC(=O)N(C)C2)C1 96036062 VAIQHVNEZXLCHM-SFHVURJKSA-N 347.415 1.069 0 40 EDAB CCN(CC)C[C@@H]1CN(C(=O)c2cc(C)on2)Cc2nccn2C1 96188289 DECJTLSFXFEOIG-AWEZNQCLSA-N 331.420 1.794 0 40 EDAB COCCO[C@@H]1CCN(Cc2c(C)noc2C)[C@H]1Cc1cnn(C)c1 96200217 ASXBOFKXJBORQU-ZWKOTPCHSA-N 348.447 1.874 0 40 EDAB O=C(CNC(=O)c1c(F)cccc1Cl)N[C@@H]1CCCC[C@@H]1CO 97234543 JBBHBUNEJFPCDO-ZWNOBZJWSA-N 342.798 1.876 0 40 EDAB CCOc1ccccc1CN(CCN1CCCOCC1)C[C@H](C)O 585085342 ARGDXZYAFXCEST-KRWDZBQOSA-N 336.476 1.990 0 40 EDAB Cc1cc(N2CCC(CNC(=O)c3cccn(C)c3=O)CC2)ccn1 244983758 IQAIUBPYJZGPIV-UHFFFAOYSA-N 340.427 1.735 0 40 EDAB C[C@@](O)(CNC(=O)COCc1nc(-c2ccccc2)no1)C1CC1 585121994 JCVAFZFUMWPNMJ-QGZVFWFLSA-N 331.372 1.530 0 40 EDAB O=C(c1cc(F)ccc1Cl)N1CCN(CC(F)(F)CO)CC1 585126690 GBKPGTDYQKZNCJ-UHFFFAOYSA-N 336.741 1.865 0 40 EDAB CC(C)(C)OC(=O)[C@@H]1Cn2cnnc2CN1C(=O)Cc1ccoc1 585113913 XANGDYPZPLFOKM-LBPRGKRZSA-N 332.360 1.166 0 40 EDAB C[C@@H](NCc1ccc(S(N)(=O)=O)o1)[C@H](c1ccccc1)N(C)C 585117712 UHYJRTBWMUKVKF-MLGOLLRUSA-N 337.445 1.708 0 40 EDAB CCCCNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 585129646 QENIFIGVVFIGPD-UHFFFAOYSA-N 340.445 1.362 0 40 EDAB Cc1csc(CN2Cc3ccnn3[C@@H](C(=O)N3CCOCC3)C2)n1 247934832 DHCYPGSBEUXKDV-CQSZACIVSA-N 347.444 1.064 0 40 EDAB Cc1ccc2nc(C(=O)N3CCOC[C@@H]3c3nc(C)c[nH]3)cn2c1 257333850 YDIZCTJBUFFNQH-CQSZACIVSA-N 325.372 1.888 0 40 EDAB Cc1cc(CN(C)C(=O)[C@H]2CN(c3ccc(F)cc3)CCN2)no1 257210215 BTRHADODGYSEPL-MRXNPFEDSA-N 332.379 1.559 0 40 EDAB Cc1csc(C(=O)NC[C@]2(O)CCN(c3cc(C)ncn3)C2)c1 257335287 YJNBALPCGPEFFW-MRXNPFEDSA-N 332.429 1.526 0 40 EDAB CN(C)C(=O)c1cc(C[C@H]2CCCN(c3ccncn3)C2)ncn1 257202536 AMGKZFNVVSSPCI-CYBMUJFWSA-N 326.404 1.428 0 40 EDAB Cn1cc(S(=O)(=O)N2C[C@H]3CC[C@H](Cc4cnccn4)[C@H]3C2)cn1 257203597 AQUQJEXYUUXLIV-XJKCOSOUSA-N 347.444 1.100 0 40 EDAB NS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 252490984 LHBNPNVXCFBUGT-DLBZAZTESA-N 331.441 1.448 0 40 EDAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1cccs1 257296053 RBARRUNIJTXHED-MRXNPFEDSA-N 332.429 1.642 0 40 EDAB COCC(=O)N1CCC(c2ccnc(Nc3ncccn3)n2)CC1 257343047 ZRGIGUFJASRBPN-UHFFFAOYSA-N 328.376 1.363 0 40 EDAB Cc1cnc(C(=O)NCc2nccnc2C2CCN(C)CC2)cn1 257229736 FZHMLHQRGJIGCL-UHFFFAOYSA-N 326.404 1.314 0 40 EDAB C[C@@H](C(=O)N1CCC(c2cnc[nH]2)CC1)n1cnc2c(N)ncnc21 612063984 OPUGWGJZZQUGET-JTQLQIEISA-N 340.391 1.099 0 40 EDAB CC(C)n1nccc1C(=O)N[C@@H]1CCCN(c2nccnc2O)C1 275537558 FECNAOBDZHRZBQ-GFCCVEGCSA-N 330.392 1.358 0 40 EDAB CCc1cc(C(=O)N[C@H]2COc3c(OC)cccc3C2=O)cc(O)n1 1614680890 GSGOBISFQNXOMX-ZDUSSCGKSA-N 342.351 1.732 0 40 EDAB CC(C)Cc1nsc(NC(=O)N2CCN(c3cnccn3)CC2)n1 1615055868 DVAJZZLPZGSACB-UHFFFAOYSA-N 347.448 1.881 0 40 EDAB O=C(O)CN1CCCC[C@@H](N2CCN(c3cccc(F)c3)CC2)C1=O 635021806 NOMZVUHBSSHVDV-MRXNPFEDSA-N 349.406 1.413 0 40 EDAB O=C(Nc1cc2c(cc1Cl)OCO2)N[C@H]1CCCCNC1=O 298684312 ZUGWVKCJCAODJM-VIFPVBQESA-N 325.752 1.859 0 40 EDAB Cn1ccc([C@@H]2CCCN(C(=O)CNC(=O)c3ccccc3)C2)n1 390832060 WYZPIUGAKQMZCK-OAHLLOKOSA-N 326.400 1.556 0 40 EDAB O=C(N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1)C1(F)CCC1 585109066 RSNOSDRFLSNUIX-NVXWUHKLSA-N 341.423 1.797 0 40 EDAB CO[C@H]1CN(C(=O)CN2CCCC2=O)CC[C@@H]1Cc1cccc(F)c1 585278842 HLMKSCARPRMFPX-WBVHZDCISA-N 348.418 1.854 0 40 EDAB Cc1c(C(=O)NCC(=O)N2CCCC2)nnn1-c1ccccc1Cl 69351692 RSGVKJIZQGGICR-UHFFFAOYSA-N 347.806 1.581 0 40 EDAB CO[C@@](C)(C(=O)Nc1ccc(CS(N)(=O)=O)cc1)c1ccccc1 69571387 BKAAHAOJTUFOSG-QGZVFWFLSA-N 348.424 1.975 0 40 EDAB Cc1cccn2cc(CC(=O)NCc3cccc(NC(N)=O)c3)nc12 69705243 IUGWQASDECMKNS-UHFFFAOYSA-N 337.383 1.992 0 40 EDAB Cc1nc(CNCCC(=O)N2CCN(c3ccccn3)CC2)cs1 69845696 RBIBJPQVXOWEFK-UHFFFAOYSA-N 345.472 1.675 0 40 EDAB CC1CCN(C(=O)CN2CCNC(=O)C[C@H]2c2ccccc2)CC1 71822580 ONETXXYXXVDRDX-KRWDZBQOSA-N 329.444 1.808 0 40 EDAB CCNS(=O)(=O)c1cc(-c2cc(C(=O)O)[nH]n2)ccc1OC 44804366 UAZNEAPMGIJFEM-UHFFFAOYSA-N 325.346 1.082 0 40 EDAB Cc1nnc2ccc(N3CCCN(c4ncc(Cl)cn4)CC3)nn12 1775986127 WLUMFPHGLXPZNC-UHFFFAOYSA-N 344.810 1.593 0 40 EDAB Cc1nnc2ccc(N3CCCN(c4ncc(F)cn4)CC3)nn12 1775985936 JUSKKCCWWOTEBQ-UHFFFAOYSA-N 328.355 1.079 0 40 EDAB C[C@@H](Nc1cnn(Cc2ccccc2)c1)C(=O)NC(=O)NC1CC1 97139971 FWGPLUSJLMIIFL-GFCCVEGCSA-N 327.388 1.720 0 40 EDAB CCCC(=O)N1CSC[C@@H]1C(=O)NCc1nnc(C(C)C)n1C 95997257 KEHLIAHRTHAOEJ-LLVKDONJSA-N 339.465 1.256 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)ccc1F 96098224 BRNZNHLBXHAMQN-UHFFFAOYSA-N 335.422 1.332 0 40 EDAB Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccc2[nH]ccc12 583620941 KSIFLKAWTYUWCZ-RHSMWYFYSA-N 337.383 1.651 0 40 EDAB CCc1cccc(S(=O)(=O)Nc2[nH]nnc2C(=O)N2CCCC2)c1 585086122 FQAKSUKRXHKAOA-UHFFFAOYSA-N 349.416 1.404 0 40 EDAB CSCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 1775967011 BIYUDYOHXUDJFZ-LLVKDONJSA-N 330.837 1.817 0 40 EDAB O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccc2c(c1)OCCO2 13479659 YZHAPWLGJMKRMX-HZSPNIEDSA-N 345.399 1.186 0 40 EDAB Cn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccncc1 16363607 BDVMVCYVJBNWKI-LBPRGKRZSA-N 333.417 1.264 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)NCCN1CCC(C)CC1 19578568 VMDCETANVYBHGJ-UHFFFAOYSA-N 344.463 1.522 0 40 EDAB CC(=O)N[C@@]12CCN(C(=O)c3cc4ccccc4o3)C[C@@H]1CNC2 19713023 XEQNDSFCDZYZFR-KBXCAEBGSA-N 327.384 1.373 0 40 EDAB COC(=O)c1cc(NC(=O)/C=C/C(=O)O)ccc1Br 1690489 HJPKBOZHSFUPAE-SNAWJCMRSA-N 328.118 1.815 0 40 EDAB CNc1cccc(C(=O)N2CC[C@@](O)(COc3ccc(F)cc3)C2)n1 643576832 GWDSFYYSPTYZAR-SFHVURJKSA-N 345.374 1.918 0 40 EDAB COCCN1C(=O)CN(C2CCN(Cc3cccc(F)c3)CC2)C1=O 253397871 GDVAGVDIEPESBD-UHFFFAOYSA-N 349.406 1.701 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCn2nc(C3CC3)cc2C1 390829836 GYSWSVMDGIMOSI-UHFFFAOYSA-N 335.433 1.315 0 40 EDAB COC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 7212099 JXWGZWQEDBPGKY-UHFFFAOYSA-N 325.386 1.463 0 40 EDAB NC(=O)c1sc2nccnc2c1[C@@H]1CCN(c2cnccn2)C1 1848356222 XFUYSGZIXUAGQX-SECBINFHSA-N 326.385 1.574 0 40 EDAB COc1ccc2nnc(CNC(=O)c3cc(-c4ccco4)n[nH]3)n2n1 245015263 LTKYBXJCBLACQV-UHFFFAOYSA-N 339.315 1.046 0 40 EDAB COc1ccc(C(=O)N2CC3(C[C@@H](N4CCCC4)CS3)C2)cn1 2056224739 SOHMRFYQYUWUHC-CQSZACIVSA-N 333.457 1.886 0 40 EDAB CC(C)N1CC2(CN(C(=O)CCc3ccc[nH]3)C2)c2nccnc21 1565556809 XNSPQLIMQZPJKM-UHFFFAOYSA-N 325.416 1.746 0 40 EDAB O=C(c1ccccc1)N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 1565550439 AHJMOZSTYCEQRD-UHFFFAOYSA-N 334.441 1.763 0 40 EDAB O=C(NCC1CC1)c1ccc2n1CCN(C(=O)C1(F)CCC1)CC2 1565544163 SKTZPPLYZKGPHH-UHFFFAOYSA-N 333.407 1.905 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2ccc(C)cc2)C1 2055772045 SLXCFBCAQZFQLZ-LJQANCHMSA-N 340.427 1.498 0 40 EDAB CN(C)[C@@H](CNC(=O)C(=O)NCc1cccs1)c1cccs1 23106601 ZEZRQIHCQHSJSX-LBPRGKRZSA-N 337.470 1.845 0 40 EDAB COC[C@@](C)(CNC(=O)CCS(=O)(=O)c1ccccc1)OC 575613534 SSKAMRSMKRCPAM-OAHLLOKOSA-N 329.418 1.018 0 40 EDAB O=C(NC[C@H](OCCO)c1cccs1)[C@@H]1COc2ccccc2O1 575608920 PZQJOPJZGSIXRK-GJZGRUSLSA-N 349.408 1.754 0 40 EDAB COc1ccc(OC)c(-c2cc(C(=O)NCC3(CO)CC3)n(C)n2)c1 75170462 FMZMNWKIAGFGBQ-UHFFFAOYSA-N 345.399 1.607 0 40 EDAB CCOc1ncccc1CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 30307932 HIHLEODNLWHGRF-WBMJQRKESA-N 335.429 1.551 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)c3nccnc3N)CC2)cc1 40477677 HZBRNJZLLLVPLY-UHFFFAOYSA-N 325.372 1.224 0 40 EDAB CCc1noc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)n1 40528710 UUAMYHGHMUSTNP-UHFFFAOYSA-N 335.385 1.136 0 40 EDAB Cc1cccc(-c2noc(Cn3nnn(-c4cccs4)c3=O)n2)c1 32330713 YIFHHKTZSABVDN-UHFFFAOYSA-N 340.368 1.897 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 52051402 WDLHJGAUHNIESX-INIZCTEOSA-N 336.457 1.600 0 40 EDAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)CC3(CCCC3)C2=O)cc1 21576489 FCJOXFAUDJHKGU-OAHLLOKOSA-N 345.395 1.948 0 40 EDAB CC1(C)CC(NC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)N1 36884 FTWJRTKHBAMAOL-UHFFFAOYSA-N 328.420 1.701 0 40 EDAB CCCn1c(CN2CCC[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 245685 MKXQSMPHIGILFR-LBPRGKRZSA-N 333.436 1.076 0 40 EDAB COc1cc(CNCCNCCO)cc(Br)c1OC 22076096 PAMCJFJGBHEZJB-UHFFFAOYSA-N 333.226 1.138 0 40 EDAB O=C(NCc1cccnc1N1CCCCC1)[C@@H](O)C1CCOCC1 76017781 QQFPOULBMTWLGA-INIZCTEOSA-N 333.432 1.476 0 40 EDAB COc1cccc(CN2C(=O)C(=O)N(CCC3OCCCO3)C2=O)c1 79065253 RWCKVWSZEWOPNZ-UHFFFAOYSA-N 348.355 1.139 0 40 EDAB COC(=O)[C@H]1[C@@H](c2ccccc2F)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O 3903513 GXGFXPWIXGOCLF-ZJOBFFGXSA-N 338.331 1.212 0 40 EDAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(OC)ccc1OC 4163295 QQCUKGKDTSQWCP-AWEZNQCLSA-N 330.344 1.757 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)NCc1cccc(O)c1 84374510 QRSURKNXTSROIM-UHFFFAOYSA-N 329.381 1.870 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2cc(C)ccc2C)CC1 22687599 KAMMIZYGEMKAEE-CQSZACIVSA-N 332.400 1.539 0 40 EDAB COC(=O)[C@H]1[C@@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 4908582 VUGOLLUZWMJXDN-DXCKQFNASA-N 348.355 1.058 0 40 EDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nc2ccccc2[nH]1 6654650 DDZCXBAPIBGHFJ-UHFFFAOYSA-N 338.323 1.660 0 40 EDAB Cc1ccccc1CCc1cc(NC(=O)c2ccc(=O)n(C)n2)[nH]n1 97108314 YAFRQINXTBKFMV-UHFFFAOYSA-N 337.383 1.849 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CN(Cc2ccccn2)[C@@H]2CCO[C@H]12 108526426 ZEXDUBKGZXQDPA-RCCFBDPRSA-N 338.411 1.382 0 40 EDAB Cc1cc(NC(=O)[C@H](C)Nc2ccc(NS(C)(=O)=O)cc2)on1 23629072 QGYHATMRXRJWGF-JTQLQIEISA-N 338.389 1.794 0 40 EDAB Cc1nccc(N2CCN(C(=O)NCCc3ncc(C)s3)CC2)n1 97376481 QALQCLZLBBIARD-UHFFFAOYSA-N 346.460 1.624 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2F)cc1 8158404 YKVCQEHZCBRFIH-UHFFFAOYSA-N 338.360 1.751 0 40 EDAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccccn2)C1=O 23946077 HPRDSQDHDNTKSI-GOSISDBHSA-N 338.367 1.670 0 40 EDAB CC1(C)CC(=O)C(C(C(=O)O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 100926861 YOYWZNXNCGWXPW-UHFFFAOYSA-N 336.384 1.836 0 40 EDAB CC(=O)NCC1CCN(C(=O)NC[C@H]2COc3ccccc3O2)CC1 43078092 OGLSMDWIZZPVSY-HNNXBMFYSA-N 347.415 1.384 0 40 EDAB Cc1nc2cc([C@H]3CCCN3C(=O)c3cnn[nH]3)nn2c(O)c1C 100138854 VVQUNBNJFULVJQ-GFCCVEGCSA-N 327.348 1.147 0 40 EDAB NCC(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ccccn3)n2)CC1 100711932 DCLAUOAXTHPWJU-OKILXGFUSA-N 340.431 1.964 0 40 EDAB COc1ccccc1S(=O)(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 56037352 WEWMPYDABXAXFZ-LBPRGKRZSA-N 345.442 1.035 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)N[C@H](c3nccs3)C3CC3)C2)cn1 107144705 SDDTZPLXUNBELP-JSGCOSHPSA-N 346.460 1.906 0 40 EDAB CCOC(=O)[C@@](O)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F 1896954 YMBZMWWUFCKKSO-NSHDSACASA-N 325.670 1.884 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCCc2ccc(F)cc2)n(C)c1 27067193 JSLPTIGWKQXEIH-UHFFFAOYSA-N 339.392 1.045 0 40 EDAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccs1 3237368 JAJLWHWBRKTIPM-UHFFFAOYSA-N 348.380 1.483 0 40 EDAB CS(=O)(=O)NCCCNC(=O)C1=Cc2cc(Cl)ccc2OC1 44706754 KXBRLERJPGURLI-UHFFFAOYSA-N 344.820 1.171 0 40 EDAB Cc1nn(C)c2cnn(CCNC(=O)CSc3ccccc3)c12 57279794 KPWDGSKVSKBPJU-UHFFFAOYSA-N 329.429 1.987 0 40 EDAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCCCNC1=O 96998809 POEGUKJABODEEZ-CQSZACIVSA-N 342.399 1.031 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 44894558 CVGPJMAJRCWIDH-UHFFFAOYSA-N 331.372 1.288 0 40 EDAB CCOC(=O)[C@@H](NCC(=O)NC(N)=O)c1cccc2ccccc12 58217895 NIFHSTCEQOYPDT-HNNXBMFYSA-N 329.356 1.229 0 40 EDAB CC[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(N)=O 58281146 VSMWKBZTAREWPC-AWEZNQCLSA-N 346.456 1.818 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)c(Cl)c1 58282378 CCLVVSZEAAMOKV-BXKDBHETSA-N 347.820 1.972 0 40 EDAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=S)S[C@@H]1CC(=O)NC1=O 100367875 WTLZYWLCZTTYDO-ZYHUDNBSSA-N 347.421 1.501 0 40 EDAB C[C@H](NC(=O)N[C@H](C)Cn1cccn1)c1ccc2c(c1)CC(=O)N2 44969556 FCSBFUMPWAQZFO-NEPJUHHUSA-N 327.388 1.827 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)NC[C@H](c1ccco1)N(CC)CC 58344070 GTAKQKPOAGFZCJ-UONOGXRCSA-N 344.477 1.992 0 40 EDAB Cc1cc(C(=O)Nc2cccnc2-n2cncn2)c2c(C)nn(C)c2n1 58341265 UMYXDDXKHIWRBV-UHFFFAOYSA-N 348.370 1.813 0 40 EDAB CNC(=O)[C@H]1CN(Cc2cn3ccsc3n2)c2ccccc2O1 58342339 QJHPCSYLUAVTSQ-CQSZACIVSA-N 328.397 1.909 0 40 EDAB CC(C)N1C[C@@H](NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1=O 72293239 PRYYPHOEVYJEGB-JSGCOSHPSA-N 347.415 1.827 0 40 EDAB CCONC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 58687330 CCFSZGDDVWMFDO-SECBINFHSA-N 327.178 1.870 0 40 EDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccc(N2CCOCC2)nc1 36390370 HFWJRJNXNNAXTG-HZPDHXFCSA-N 330.432 1.275 0 40 EDAB O=c1c2nnn(Cc3ccccc3)c2ncn1CCN1CCCCC1 36646195 YWTILMSEBVCOGT-UHFFFAOYSA-N 338.415 1.522 0 40 EDAB CC(C)[C@H](NC(=O)[C@H](C(C)C)n1nnc2ccccc2c1=O)C(=O)O 2439554 SXQQHHFQRVMVEQ-KBPBESRZSA-N 346.387 1.214 0 40 EDAB O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccccc1F 45684933 MIYHIHSODYKWRF-INIZCTEOSA-N 349.406 1.478 0 40 EDAB NC(=O)[C@@H]1CC(C(=O)Nc2ccccn2)=NN1c1ccc(F)cc1 29437755 YHWPHZFUYYWIJO-ZDUSSCGKSA-N 327.319 1.279 0 40 EDAB O=C(c1ccccn1)N1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 67897433 XYUJBQSBVFMGLT-SJORKVTESA-N 337.379 1.334 0 40 EDAB biogenic,in-vitro COCCOCCNC(=O)CCCn1c(C)nc2ccccc2c1=O 48363237 SECIAHJLVCBNGH-UHFFFAOYSA-N 347.415 1.264 0 40 EDAB CC(C)(C)n1cc(C(=O)N2CCN(Cc3ccncc3)CC2)cn1 48346992 KLKIQISSIDOBMS-UHFFFAOYSA-N 327.432 1.991 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1c(Cl)cccc1Cl 12882234 ILOURLUZMVWCJK-GFCCVEGCSA-N 331.199 1.857 0 40 EDAB COc1c([C@H]2CCCN2C(=O)c2cccn(C)c2=O)c(C)nn1C 72253211 RZKIFYROWQQQAS-CYBMUJFWSA-N 330.388 1.413 0 40 EDAB CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)o1 25127699 PDLIYGVRPAXIOM-UHFFFAOYSA-N 349.412 1.384 0 40 EDAB C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 72282365 FUCHASRHXNGOTR-TZMCWYRMSA-N 349.456 1.429 0 40 EDAB O=C(CSCC(=O)N(C1CC1)[C@H]1CC(O)=NC1=O)c1ccccc1 96703782 FMCQDOWENUSFQS-ZDUSSCGKSA-N 346.408 1.849 0 40 EDAB COCCn1cc(C(=O)N2CCCC[C@H]2Cn2cccn2)ccc1=O 72279920 AQRUKQOHMYJEMH-INIZCTEOSA-N 344.415 1.386 0 40 EDAB COCc1nnc(NC(=O)CCc2ccc(-n3cnnn3)cc2)s1 71287721 UQJWQWRRKNOOEC-UHFFFAOYSA-N 345.388 1.232 0 40 EDAB COc1cccc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c1 6126537 YTCKWWGNACXACJ-UHFFFAOYSA-N 348.424 1.690 0 40 EDAB CCOC(=O)c1sc(NC(=O)C[C@H]2CCS(=O)(=O)C2)nc1C 4392379 YNJFRKHSGXPTPF-SECBINFHSA-N 346.430 1.392 0 40 EDAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cccnc2)c(F)c1 65552384 FQOVNRVRVUNQMH-UHFFFAOYSA-N 337.376 1.836 0 40 EDAB CN1C(=O)N(C)C(=O)C2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C1=O 5321860 ANCPYJFZEKVDSH-CYBMUJFWSA-N 347.802 1.902 0 40 EDAB CCn1c(Sc2ccc3nnnn3n2)nnc1-c1ccoc1C 14139605 QWLOVLHMRNJLOG-UHFFFAOYSA-N 328.361 1.850 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)On2nnc3ccccc32)cc1 6553101 DLCPJXYVSWSLDB-LBPRGKRZSA-N 326.356 1.573 0 40 EDAB COC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]12 4897921 ISVZPONKNMOQDX-MEBBXXQBSA-N 335.747 1.029 0 40 EDAB CCOC(=O)NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 4932703 WJZNFBIESVIHBV-UHFFFAOYSA-N 343.265 1.632 0 40 EDAB O=S(=O)(Cc1ccon1)N1CCN(Cc2ccc(Cl)o2)CC1 93735911 CUHMCPNNBGMLOQ-UHFFFAOYSA-N 345.808 1.569 0 40 EDAB CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 15359292 WAUJCAJFFBOIOO-MRXNPFEDSA-N 346.408 1.697 0 40 EDAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCCC2)C1=O 15399157 WDPJDZCNGQGFEL-MRXNPFEDSA-N 337.326 1.354 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)C1CCN([C@@H]2CCOC2=O)CC1 15480643 GOEWGZWJJQXHHT-CQSZACIVSA-N 331.368 1.668 0 40 EDAB CN(C)C(=O)COC(=O)c1cc(I)ccc1N 7226675 QNQGZEWHFBBIEJ-UHFFFAOYSA-N 348.140 1.118 0 40 EDAB O=C(c1ccc(N2CCOCC2)nc1)N1CCC[C@H](n2ccnc2)C1 71796517 YCOPSBYJHXOKGD-INIZCTEOSA-N 341.415 1.592 0 40 EDAB O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1cscn1 96405509 APQBQKZMEMSAOU-OAHLLOKOSA-N 331.441 1.816 0 40 EDAB COc1ccc(CC(=O)N2CCN(c3ccncc3)CC2)c(OC)c1 8122713 FGFQILHSIJSYGC-UHFFFAOYSA-N 341.411 1.990 0 40 EDAB CCc1cc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n2ncnc2n1 70014367 VTSKCDNEQPEPAU-GFCCVEGCSA-N 342.378 1.582 0 40 EDAB Cc1ccc(NC(=O)C[C@H]2NC(=O)NC2=O)cc1OCC(F)F 69453501 ZQIAEZQZLDATMF-SECBINFHSA-N 327.287 1.176 0 40 EDAB Cc1ccccc1CNC(=O)N1CCC(NS(C)(=O)=O)CC1 69451267 KPQRHYWRHJJIHQ-UHFFFAOYSA-N 325.434 1.218 0 40 EDAB C[C@@H](C(=O)Nc1nc(CC(N)=O)cs1)N1CCc2ccccc2C1 71893241 YFNMIVLLUXVWOD-NSHDSACASA-N 344.440 1.556 0 40 EDAB CCCN1CCN(C(=O)Cc2ccccc2NS(C)(=O)=O)CC1 71896189 UXULEDQOEPYIHV-UHFFFAOYSA-N 339.461 1.155 0 40 EDAB CC(C)COC[C@H](O)CNC(=O)Nc1nncc(-c2ccccc2)n1 69531372 GOJPZVWSYXZWTA-CQSZACIVSA-N 345.403 1.694 0 40 EDAB CCNC(=O)c1cccc(NC(=O)N2CCC[C@H](NC(=O)CC)C2)c1 69534169 QVYVXHDIHLJKMK-HNNXBMFYSA-N 346.431 1.959 0 40 EDAB Cc1nc(CN2CCC[C@H](NC[C@](C)(O)c3ccccc3)C2)no1 69536382 OGSQYBZCPFQRMH-WMZOPIPTSA-N 330.432 1.840 0 40 EDAB C[C@@H]([C@@H](C)NCC1=NS(=O)(=O)c2ccccc2N1)n1cccn1 71882050 PFKJBIIDCLGLBF-NEPJUHHUSA-N 333.417 1.635 0 40 EDAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NCCc1ccccc1 17357341 KVMSTMXIEXFVBQ-UHFFFAOYSA-N 343.408 1.084 0 40 EDAB Cc1cn2nc(NC[C@H](O)COc3ccc4c(c3)OCO4)sc2n1 71827964 FTZDGDJMWZLKSZ-JTQLQIEISA-N 348.384 1.680 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cccn2Cc2cccs2)CC1 71871332 JQBWTTHPALBTAJ-AWEZNQCLSA-N 333.457 1.737 0 40 EDAB O=C(C1CC1)N1CCC(NC(=O)N2CCC[C@@H]2CN2CCCC2)CC1 71857219 NKGMDZSSNBFPFG-QGZVFWFLSA-N 348.491 1.657 0 40 EDAB CCN1CCCC[C@@H]1C(=O)N1CCCN(Cc2nccn2CC)CC1 69655927 VDXNTLUIKLDVPS-QGZVFWFLSA-N 347.507 1.812 0 40 EDAB O=C(CN1CCn2c(nnc2C2CC2)C1)N1CCO[C@@H]2CCCC[C@@H]21 71880290 IJKUICYDMJGQAW-LSDHHAIUSA-N 345.447 1.141 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)[C@H](C)OC[C@@H]1CCCO1)C2 71860282 REJUXSVFGVYSON-JSGCOSHPSA-N 334.420 1.377 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2[C@@H](C)C(=O)NC[C@@H]2CCCO2)n1 71878662 WKIBZGBVEICJIW-ULQDDVLXSA-N 334.464 1.648 0 40 EDAB Cc1noc(CCNC(=O)N[C@@H](c2ccccc2)c2nccn2C)n1 69744838 XOXRGLFUPRXWEP-HNNXBMFYSA-N 340.387 1.743 0 40 EDAB CCc1noc(C)c1C(=O)N1CSC[C@H]1C(=O)N(CC)CC 69811555 RLPJSFGOBVFLPU-LBPRGKRZSA-N 325.434 1.929 0 40 EDAB C[C@@H](CNC(=O)C(=O)c1ccc(C(C)(C)C)cc1)N1CCN(C)CC1 69951810 ONODOJPFFDKACP-HNNXBMFYSA-N 345.487 1.919 0 40 EDAB Cc1ccc(CNC(=O)CN2CCC[C@@H](Cn3cncn3)C2)cc1 69919986 PVCRPHRMUUQCOX-QGZVFWFLSA-N 327.432 1.615 0 40 EDAB CC(C)(CNC(=O)c1cccnc1N1CCCCC1)N1CCOCC1 42341509 NBGZOTYMVQBEKW-UHFFFAOYSA-N 346.475 1.913 0 40 EDAB O=S1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 71920932 JLMZKXUQDPRIQO-UHFFFAOYSA-N 325.821 1.997 0 40 EDAB CCN1CCCC[C@H]1C(=O)OCc1cc(=O)n2c(C)cccc2n1 71921314 YQNJMADXWKBAOS-HNNXBMFYSA-N 329.400 1.921 0 40 EDAB C[C@@H](NC(=O)CC(=O)Nc1nccs1)C(=O)N1CCCC[C@H]1C 95396536 YUOSUCXCVBNFNB-GHMZBOCLSA-N 338.433 1.377 0 40 EDAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(-n2ccnn2)c1 95439385 MUAYFYDPOHQAJL-GFCCVEGCSA-N 339.321 1.634 0 40 EDAB O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccncc1Cl 95431035 VHTJFQVHGXFELI-HNNXBMFYSA-N 345.830 1.884 0 40 EDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1noc(C2CC2)n1 95449657 ZQCNTBBWBQQHOU-ZDUSSCGKSA-N 332.360 1.611 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN(Cc3cccc(C(N)=O)c3)C2)no1 95402247 TWDMJDXZFPXQPH-HNNXBMFYSA-N 329.404 1.183 0 40 EDAB Cn1ncc(N[C@@H]2CCN(C(=O)c3ccccn3)C2)c(Cl)c1=O 95429729 ZJOVBJRATGOAMD-SNVBAGLBSA-N 333.779 1.155 0 40 EDAB NC(=O)c1cncc(N2CCCN(Cc3ccccc3F)CC2)n1 95408573 GIUXOMLSORFQBQ-UHFFFAOYSA-N 329.379 1.427 0 40 EDAB Cc1cn2c(CN3CCC[C@H](NS(C)(=O)=O)C3)c(C)nc2s1 95982606 LJAYNWFFDCMAIV-LBPRGKRZSA-N 342.490 1.526 0 40 EDAB CCS(=O)(=O)CCN(C)C(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21 89272344 VZOVKECMIVJIRG-XHSDSOJGSA-N 336.457 1.648 0 40 EDAB CN1CCC(O)(CNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)CC1 89375175 JSXBDFQBSQMLRK-PXNSSMCTSA-N 328.456 1.854 0 40 EDAB CC[C@H]1CN(C(=O)c2cc(I)c[nH]2)CCO1 75139635 VUFJGAKKNVDATM-VIFPVBQESA-N 334.157 1.870 0 40 EDAB O=C1CN(C(=O)c2cnsn2)CCN1Cc1ccc(Cl)cc1 89787701 QVRGXANUMNACML-UHFFFAOYSA-N 336.804 1.676 0 40 EDAB COc1ccc([C@H](C)NC(=O)[C@H]2CNC(=O)N2)cc1Br 89904654 DDNUFEPXADSGRR-OIBJUYFYSA-N 342.193 1.316 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C3OCCO3)O2)c(C)c1 409288991 DGOHCJHZRVLPOS-NXEZDXNNSA-N 341.363 1.489 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccncc2)cc1 69526403 NWPFMMBNMLAKCF-UHFFFAOYSA-N 333.413 1.239 0 40 EDAB COc1ccccc1OCC(=O)Nc1nn(C)c2c1[C@@H](C)CC(=O)N2 35597802 BOLWLJJWHIOZSN-JTQLQIEISA-N 344.371 1.892 0 40 EDAB COc1cc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc(OC)c1 124463430 ZEZXZZZNNOZHQI-INIZCTEOSA-N 348.443 1.775 0 40 EDAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2nccn2C)C3)CC1 72335642 KKOHVHKAVNVWJY-UHFFFAOYSA-N 342.447 1.298 0 40 EDAB Cc1nnc2c(=O)n(CC(=O)NC3CCCCC3)c3ccccc3n12 64871452 DQAVEMQFVQZIKE-UHFFFAOYSA-N 339.399 1.802 0 40 EDAB Cc1cn2nnc(C(=O)Nc3ccc(-n4ccnc4)cc3)c2c(O)n1 675007571 BAXSQJRBUNFVNK-UHFFFAOYSA-N 335.327 1.576 0 40 EDAB C[C@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C12CC3CC(CC(C3)C1)C2 33028286 LZOZRMDSRQMOLD-FNWMWBLJSA-N 333.432 1.696 0 40 EDAB COc1cccc(CNCC(=O)NCc2ccc3c(c2)OCO3)c1 35311507 ZQYHIVUOVFJXAZ-UHFFFAOYSA-N 328.368 1.830 0 40 EDAB O=C(O)CN1C(=O)N/C(=C/c2ccc(Br)cc2)C1=O 214423757 AJIVIFCWPNRKTI-WEVVVXLNSA-N 325.118 1.426 0 40 EDAB CNC(=O)c1cn[nH]c1[C@@]1(C)CCCN(C(=O)c2cccc(C)n2)C1 72388828 OEELWCBFODPDCL-SFHVURJKSA-N 341.415 1.667 0 40 EDAB C[C@H](CNS(=O)(=O)c1ccc(C(=O)O)cc1F)N(C)C1CC1 184993568 CUJHHSFMNHLZEB-SECBINFHSA-N 330.381 1.285 0 40 EDAB Cc1ccc(C2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCOCC2)cc1 72265193 YXSBSTXRTMUMTH-HNNXBMFYSA-N 337.441 1.347 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2cc(C)ccc2C)s1 36182769 UZOHCEWHEXCJJM-UHFFFAOYSA-N 326.403 1.914 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C)c(F)c2)C1=O 9389106 XBPGCKMWDLXZBJ-LBPRGKRZSA-N 339.392 1.746 0 40 EDAB CC(C)CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223656843 CTVNYJPQYWZRPD-UHFFFAOYSA-N 340.430 1.725 0 40 EDAB C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@H]1CCCOC1 225790737 FCZXMEXTOADLQH-KBPBESRZSA-N 340.445 1.286 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H](Oc2cnccn2)C1 225470998 PYZABXCQZATBGS-CZUORRHYSA-N 341.367 1.686 0 40 EDAB CCn1cc([C@H]2CN(C(=O)NC[C@@H](C)Cn3cccn3)CCO2)cn1 191500606 OPEIOZMCGRHQJQ-GDBMZVCRSA-N 346.435 1.519 0 40 EDAB O=C(NC[C@H]1Cn2nnc(-c3ccccc3)c2CO1)[C@H]1CCCO1 96199286 CUFRRIYATMWBKV-DZGCQCFKSA-N 328.372 1.139 0 40 EDAB CC(C)(C)OC(=O)N1CCc2[nH]c3c(C(=O)O)cnn3c(=O)c2C1 96516630 WDCHHVFBIJLIMA-UHFFFAOYSA-N 334.332 1.014 0 40 EDAB COc1c(C(=O)N[C@@H]2CCN(C)C2=O)sc(C)c1Br 96431201 HEBHSUYORKSRRG-SSDOTTSWSA-N 347.234 1.788 0 40 EDAB Cn1cc(CCCNC(=O)N2CC[C@@H](Oc3cccnc3)C2)cn1 96474814 FENAOLKFRHUZSF-MRXNPFEDSA-N 329.404 1.611 0 40 EDAB Cc1cnc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)NCC2CC2)cn1 96227803 VOEWYGHGYGQCDZ-AWEZNQCLSA-N 328.416 1.554 0 40 EDAB C[C@@H](CNCc1ccc2c(c1)n(C)c(=O)n2C)Oc1ccccn1 95472053 UDXRDKHCRUHVEI-ZDUSSCGKSA-N 326.400 1.829 0 40 EDAB CCS(=O)(=O)N1CCOC[C@]2(CN(Cc3ccco3)C[C@H]2C)C1 96202399 GKKGNSUFMSEUSF-ZBFHGGJFSA-N 342.461 1.400 0 40 EDAB O=C(c1cscn1)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 96070400 DGYCSVOEDJWGDN-MRXNPFEDSA-N 345.428 1.302 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NCc2ccccc2)CC1 97234087 KSENXXBMOPIXKT-UHFFFAOYSA-N 348.472 1.969 0 40 EDAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccc2c(c1)OCO2 96041475 IFHTYSHGGFKIBA-JCKWVBRZSA-N 333.384 1.753 0 40 EDAB Cc1ccc([C@H]2[C@H](C(=O)Nc3nnc(C)s3)OCC(=O)N2C)cc1 96181410 XQWKTNNVVHRHGQ-UONOGXRCSA-N 346.412 1.692 0 40 EDAB CCn1ncc(CNC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)n1 529035836 MBPIZZWGEMKFAW-UHFFFAOYSA-N 337.405 1.332 0 40 EDAB CSc1ccc(NC(=O)NCc2nc(CO)n[nH]2)cc1Cl 585135634 UDNVIMJGFDWHJW-UHFFFAOYSA-N 327.797 1.994 0 40 EDAB CN1CC[C@@](Cc2ccccc2)(C(=O)NCc2nccs2)C1=O 585121055 DORYBQGNSQBAMI-QGZVFWFLSA-N 329.425 1.851 0 40 EDAB Cc1c(S(=O)(=O)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cnn1C 585115313 VUKHCIKBDCPIBE-GASCZTMLSA-N 346.456 1.485 0 40 EDAB COC(=O)[C@@H]1CCN2C(=O)N(c3cccc4c3ccn4C)C(=O)[C@@H]2C1 586871195 CZRCZERQSBCGNM-ABAIWWIYSA-N 341.367 1.899 0 40 EDAB Cc1ncsc1CN1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 257288257 PTNSIVURVIRAQK-KBPBESRZSA-N 337.445 1.042 0 40 EDAB CN(C)c1cncc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)n1 257329044 XIDKCXZJCHPSAW-AWEZNQCLSA-N 333.417 1.463 0 40 EDAB CCCn1ccnc1CN1CCOC[C@@H](Cc2cc(O)ncn2)C1 257283611 OYZZHWIXMHRFOO-AWEZNQCLSA-N 331.420 1.480 0 40 EDAB COC(=O)CCc1nnc(NC(=O)c2nc3cccnc3s2)s1 252488198 INHMCUVLIUZQHA-UHFFFAOYSA-N 349.397 1.901 0 40 EDAB CN(C(=O)c1cnn(C)c1)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257325994 WVIARWONFWSROX-BZUAXINKSA-N 330.388 1.248 0 40 EDAB Cc1cc(-c2cccc(C[C@@H]3CCN(S(=O)(=O)N(C)C)C3)n2)[nH]n1 257309993 UDGDOCQTKHTNGZ-ZDUSSCGKSA-N 349.460 1.451 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cscn3)C2)ncn1 257285285 PGLDMKOUZCVVKF-MRXNPFEDSA-N 347.444 1.345 0 40 EDAB CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)CCc1cccs1 257221294 DOIZBVJPDIUSKD-QGZVFWFLSA-N 346.456 1.571 0 40 EDAB Cc1cc(C)n(CCCC(=O)N2CCO[C@@H](c3nccnc3N)C2)n1 257276884 NVNJMFMRYKTMAU-CQSZACIVSA-N 344.419 1.252 0 40 EDAB CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1 257318629 VOTWMJKKBDCUMJ-BDXSIMOUSA-N 336.407 1.697 0 40 EDAB CCn1nc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)cc1C 257264494 LUQSQOGKCLQJOU-HNNXBMFYSA-N 343.431 1.784 0 40 EDAB CO[C@H]1CN(C(=O)c2cccc(-n3cnnc3)c2)C[C@@]12CCCO2 257221495 DPHKXBPGGHJJFF-RDJZCZTQSA-N 328.372 1.287 0 40 EDAB CN(CC(=O)N1CCC[C@H](c2cnccn2)C1)Cc1cccnc1 257321254 WAWBWLSASAONIP-INIZCTEOSA-N 325.416 1.710 0 40 EDAB Cc1c(NC(=O)N(C)N2CCS(=O)(=O)CC2)ccc(F)c1F 1615586177 QWHTYVVEUAVKFN-UHFFFAOYSA-N 333.360 1.382 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)Cc2csc(NCC(F)F)n2)C1 1616040456 KWYYOROYMXEVHU-JTQLQIEISA-N 346.403 1.490 0 40 EDAB COc1ccc(NC(=O)c2ccc(-n3cncn3)nn2)cc1Cl 96097875 JQJAOVKKHKLSTA-UHFFFAOYSA-N 330.735 1.972 0 40 EDAB C[C@@]1(O)CCCN(C(=O)NCCN2CCc3ccccc3C2=O)CC1 390833931 PBIWCWDJRNSYAB-LJQANCHMSA-N 345.443 1.631 0 40 EDAB COc1nc(CNC(=O)c2ccccc2F)nc(N2CCCCC2)n1 575604165 SAUUTLQHPHCIRL-UHFFFAOYSA-N 345.378 1.940 0 40 EDAB Cc1cnc([C@@H]2COCCN2C(=O)Cc2c(C)nc3ccccn23)[nH]1 585181464 SHTAVCGUDSDKRD-HNNXBMFYSA-N 339.399 1.817 0 40 EDAB C[C@H]1CCCN(c2cc(C(=O)NCc3nc(C(N)=O)co3)ccn2)C1 585113313 GFMOFXCOHFAQNW-NSHDSACASA-N 343.387 1.335 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)Cn2ccnc2C(C)C)CC[C@H]1OC 585275393 DLUSCOGQESHHHU-ZIAGYGMSSA-N 336.436 1.006 0 40 EDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 67488569 CDAACIFPVRQXHK-QMMMGPOBSA-N 333.793 1.362 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)c3cn[nH]c3CC)CC2)n1 69876046 DTGJQBHRQLTLJZ-UHFFFAOYSA-N 330.392 1.123 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@H]2Cc2ccccc2)ccc1=O 30763945 WTUWVHFOTPLFNC-INIZCTEOSA-N 341.411 1.737 0 40 EDAB Cc1cc(CS(=O)(=O)NCc2ccc(-n3cccn3)cc2)on1 72275138 RIZYMHNKFOEJQH-UHFFFAOYSA-N 332.385 1.788 0 40 EDAB Cn1cc(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cn1 54229850 JUOCQZIQFASXAO-UHFFFAOYSA-N 327.793 1.277 0 40 EDAB NC(=O)c1ccc(OCC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 58163267 ASZYAESEDALMBR-QGZVFWFLSA-N 340.379 1.764 0 40 EDAB CC(C)(C)[C@@H](C(=O)O)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 1588636136 XAHXNWANZOBSFY-CQSZACIVSA-N 347.415 1.549 0 40 EDAB Cc1ccccc1-c1nnc(S(=O)(=O)[C@@H](C)C(=O)N(C)C)n1C 79951674 CTKFJZRVJZQJKV-NSHDSACASA-N 336.417 1.041 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1NCCO 5278400 BHWPGECMVNUZMR-DZGCQCFKSA-N 334.416 1.943 0 40 EDAB C[C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 5871550 RFKQEGNLTMDXNI-ZDUSSCGKSA-N 343.383 1.236 0 40 EDAB CCN(CC)C(=O)Cn1nc2c(C)cc3ccc(OC)cc3n2c1=O 12181513 NEUZNPLAJUMUPS-UHFFFAOYSA-N 342.399 1.835 0 40 EDAB CN(CC1CCCCC1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 13003236 KBIXUKXKFSNLKJ-UHFFFAOYSA-N 346.474 1.535 0 40 EDAB COC(=O)[C@@H]1[C@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 13494518 VUGOLLUZWMJXDN-HACGYAERSA-N 348.355 1.058 0 40 EDAB COc1ccc(NC(=S)NNC(=S)N2CCOCC2)cc1 13547319 VQIOWBAVZJGWEG-UHFFFAOYSA-N 326.447 1.103 0 40 EDAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nc(N)cc(=O)[nH]1 16045079 IWSVTIWQKBJRFY-NSHDSACASA-N 332.429 1.582 0 40 EDAB CCCCN(CCCC)CCOCCOCCOCCOCCO 16638728 XGIWXORQIZQOEP-UHFFFAOYSA-N 349.512 1.947 0 40 EDAB CC1(NC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2)CCC1 19461162 BNBGPYXVHVQMQE-OAHLLOKOSA-N 333.407 1.575 0 40 EDAB CCOc1cc2c(cc1CN1C[C@H]3C[C@@H](O)CN3C[C@@H]1C)OCO2 19532427 QQOYLYKRYYEXNW-NWANDNLSSA-N 334.416 1.453 0 40 EDAB COC(=O)/C=C(/Sc1nc(Cl)c(Cl)nc1N)C(=O)OC 5567138 YIDYFTZJTRJQEM-ONEGZZNKSA-N 338.172 1.688 0 40 EDAB CNC(=O)C1(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC1 106023116 UVMUNYWZKAVWCD-ZDUSSCGKSA-N 340.782 1.905 0 40 EDAB COc1cncc(O[C@H]2CCCN(C(=O)c3c(C)noc3C)C2)n1 225499102 ITPKHMIBSPOEQD-LBPRGKRZSA-N 332.360 1.774 0 40 EDAB Cc1noc(C)c1C(=O)N1CC[C@H](Oc2ccc(N(C)C)nn2)C1 225447174 LOLZRTWMBNTRFF-LBPRGKRZSA-N 331.376 1.441 0 40 EDAB O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@@H]1CCCO1 225557177 YYVODWIYIVAUJQ-INIZCTEOSA-N 325.453 1.356 0 40 EDAB C[C@H](C(=O)N1CCc2sccc2C1)n1nc2c(cc1=O)CCC2 585150611 XYQPFTQQQKMQGR-LLVKDONJSA-N 329.425 1.939 0 40 EDAB CN(C(=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 4504632 UVYMGVZQZHDJLF-NSHDSACASA-N 332.219 1.708 0 40 EDAB COC[C@@H](C)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 5702080 FHKGOBSDZMFBCG-LLVKDONJSA-N 334.397 1.500 0 40 EDAB O=C(Cc1cccnc1)NCCn1nc(C(F)(F)F)ccc1=O 1888849739 AKFQKBSAXQBYSP-UHFFFAOYSA-N 326.278 1.016 0 40 EDAB O=C([C@H]1CCCN(c2ncnc3cnccc23)C1)N1CCSCC1 1888854610 HJTPWAQRBNKDIQ-ZDUSSCGKSA-N 343.456 1.817 0 40 EDAB Cn1ccc2c(N3CCC[C@H](NS(=O)(=O)C4CC4)C3)ncnc21 1889118450 WFJGYXQILGMIAF-NSHDSACASA-N 335.433 1.019 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCC(N2C(=O)COC2=O)CC1 245060729 PYLGFKOOYJVPCI-UHFFFAOYSA-N 340.339 1.213 0 40 EDAB Cc1nnc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)o1 2087122898 UCTFSYAKMBKBRR-UHFFFAOYSA-N 328.298 1.509 0 40 EDAB COc1ccc(CC(=O)N2CC[C@@H]3CN(C)CCO[C@H]3C2)cc1F 1565548106 RLJXNGISLALSCE-PBHICJAKSA-N 336.407 1.556 0 40 EDAB CO[C@H]1CCN(C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)C1 1565523594 RNQZOTMVPWCTAE-KRWDZBQOSA-N 345.443 1.128 0 40 EDAB O=C(c1ccc(Br)o1)N1CCCN([C@@H]2CCOC2)CC1 1565522120 RBWFFOHPVFZJIX-LLVKDONJSA-N 343.221 1.979 0 40 EDAB CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1c(C)cccc1C 4107535 VASMAJKASNTDFB-ZDUSSCGKSA-N 326.418 1.181 0 40 EDAB COc1ccc(CC(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc1OC 9820299 DIBBICGGQBZFLZ-OAHLLOKOSA-N 340.379 1.690 0 40 EDAB COCCC(=O)N[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055746016 ADFKMIDCOLYYFE-LBPRGKRZSA-N 335.404 1.357 0 40 EDAB O=C(C1CCC1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055745991 XPSAOJBQFVQYCZ-UHFFFAOYSA-N 348.472 1.995 0 40 EDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)/C=C/c1ccco1 207982831 IUAGASDIYAXCJK-AATRIKPKSA-N 343.387 1.624 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCCn1ccc2ccn(C)c2c1=O 575414969 VNMJSYBAFHWWIN-AWEZNQCLSA-N 339.395 1.924 0 40 EDAB Cc1nnsc1C(=O)NC[C@@](O)(c1ccccc1)C1CCOCC1 575612964 OWIXNYPORKWRKA-QGZVFWFLSA-N 347.440 1.891 0 40 EDAB Cc1nc(N2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc(-n2cccn2)n1 2298178977 HKPIAHBEPPQUGR-CVEARBPZSA-N 342.447 1.396 0 40 EDAB CCc1ncnc(N2CCC(C(=O)N3CCSCC3)CC2)c1F 2298187936 ADBLRABJWBHQOE-UHFFFAOYSA-N 338.452 1.970 0 40 EDAB C[C@@H](Sc1n[nH]c(=O)n1C)C(=O)N[C@@H]1CCCc2ccccc21 40161931 XRSQRQQSHGUUSI-ZWNOBZJWSA-N 332.429 1.783 0 40 EDAB COc1ncccc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31285351 ADXHCUPHRGKHSQ-CQSZACIVSA-N 340.383 1.150 0 40 EDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C[C@H](O)COc2ccccc2)C1 100741984 NBALYZNRIXPTQB-ULQDDVLXSA-N 340.423 1.707 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 40553784 WPHDBKCARCVNFB-GHMZBOCLSA-N 332.326 1.529 0 40 EDAB COc1ccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 40515782 HHHUXSPFAJFDBF-LBPRGKRZSA-N 326.418 1.097 0 40 EDAB CCCCOc1ccc(-c2nnc(CN3CCNC(=O)C3)o2)cc1 51260989 HQJDCQLZORBLSX-UHFFFAOYSA-N 330.388 1.847 0 40 EDAB CC(=O)N1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 20895190 ZRVCFTHOMVFXER-UHFFFAOYSA-N 346.362 1.499 0 40 EDAB Cc1cc(C)n2ncc(C(=O)Oc3ccc(-n4cnnn4)cc3)c2n1 32426957 MYFMDHHKLPRRFI-UHFFFAOYSA-N 335.327 1.541 0 40 EDAB O=C(NCc1cccs1)c1ccc(S(=O)(=O)NC2CC2)o1 32914133 OGROTFQIQLUCDW-UHFFFAOYSA-N 326.399 1.712 0 40 EDAB O=C(O)c1ccccc1C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 486030 HWBARASARLEUJV-QWHCGFSZSA-N 338.363 1.806 0 40 EDAB biogenic CN(CC(=O)NC(C)(C)C)C(=O)c1cncc(Br)c1 21937603 IEQKIMBCJWERMO-UHFFFAOYSA-N 328.210 1.831 0 40 EDAB Cn1cnc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C 47079 CIFYXVZRWRPHOD-UHFFFAOYSA-N 339.182 1.789 0 40 EDAB Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)n(C)n1 69774341 BNQCBBGCOVSFRH-HNNXBMFYSA-N 341.415 1.740 0 40 EDAB C[C@H](NC(=O)c1ccc(N2CCCC2)c(F)c1)C(=O)N1CCOCC1 69739991 WLQGBMIDRIBFHF-ZDUSSCGKSA-N 349.406 1.403 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)COc2ccccc2)no1 12028978 AZMKSRZTVUYJES-AWEZNQCLSA-N 329.356 1.992 0 40 EDAB COc1ccc(COCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 76052878 COXFQEXLJSJZHG-MAUKXSAKSA-N 348.443 1.391 0 40 EDAB CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)N[C@H](C)CO 76023307 FMLOOGHVEQNOSR-MRVPVSSYSA-N 340.401 1.238 0 40 EDAB CCOC(=O)C1=NN[C@]2(CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 545645 AIKPPUAOBUDWFR-INIZCTEOSA-N 349.774 1.563 0 40 EDAB C[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC[C@H]1CCCO1 1345070 IBNQLIDJXYPBCV-SWLSCSKDSA-N 331.368 1.689 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 41672612 ALRFNEWLTGYSHF-ZDUSSCGKSA-N 343.449 1.012 0 40 EDAB C[C@H](CNC(=O)[C@H]1CCC(=O)N1)Oc1ccccc1Br 79013772 XLRZSKUGKPFGLC-MWLCHTKSSA-N 341.205 1.611 0 40 EDAB CC(C)CCNC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O 2618008 UVZYENPPAIAGFA-UHFFFAOYSA-N 333.310 1.739 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCO[C@H]1CCCC[C@H]1C 53667200 DMDWUYRQKAKHHT-RISCZKNCSA-N 329.466 1.911 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1 814414 ZBCGLQJDDYCLRR-UHFFFAOYSA-N 345.380 1.792 0 40 EDAB O=C(NCCO)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 8476522 ZZKUVAZKCCPOME-UHFFFAOYSA-N 326.331 1.796 0 40 EDAB C[C@H](NC(=O)CSc1nncn1C)c1ccc2c(c1)OCCO2 8735336 HPLKCMHBTHSALF-JTQLQIEISA-N 334.401 1.556 0 40 EDAB Cc1cccc(OCCN(C)[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)c1 42532815 JLBDXBYALRMSMT-HOTGVXAUSA-N 347.459 1.418 0 40 EDAB O=C(NCCc1nccc(-c2ccccc2)n1)[C@@H]1NCCc2[nH]cnc21 72427390 ZUKOZMISVTVHEV-GOSISDBHSA-N 348.410 1.412 0 40 EDAB CC(C)(C)C(=O)COC(=O)c1ccccc1N1CCN(CCO)CC1 12562928 JLTIJYZBBMDQNF-UHFFFAOYSA-N 348.443 1.573 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)c1ccc(Cn2ccccc2=O)o1 24480606 PEDIFNLUYDTVKK-UHFFFAOYSA-N 326.356 1.495 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1ccccn1 43181405 GPSROWFDISQMBZ-KBPBESRZSA-N 326.404 1.901 0 40 EDAB CC(=O)O[C@H]1CS(=O)(=O)C[C@@H]1N(C(C)=O)c1ccc(Cl)cc1 1235616 RBBAQGBOALVWFW-KBPBESRZSA-N 345.804 1.422 0 40 EDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccccc1F 24990322 WWDQHLAIBRVVBO-XJKSGUPXSA-N 337.395 1.685 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN([C@@H](C(N)=O)c3ccc(F)cc3)CCO2)n1 106666005 SNCHDRILXWRKPN-DLBZAZTESA-N 346.406 1.566 0 40 EDAB O[C@H](CNc1cc(-c2ccccc2)nc2ncnn12)COCC1CC1 95393399 AGLWWQZKVUIBKP-OAHLLOKOSA-N 339.399 1.991 0 40 EDAB COc1c([C@H]2CCCN2[C@H](C)C(=O)N2CCOCC2)c(C)nn1C 106908279 XDDBXOXJTFRRKW-ZIAGYGMSSA-N 336.436 1.121 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1cccnc1N1CCCCC1 56373561 SCZPUVAJRQRUMU-UHFFFAOYSA-N 326.404 1.540 0 40 EDAB O=C(CN1CCC[C@@H]1Cc1cccc(F)c1)N[C@H]1CCCCNC1=O 107314041 SCHCNGDJMRBRBB-SJORKVTESA-N 347.434 1.618 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)NCCCOc1ccc(OC)cc1 56954917 XYLVHLNEKSUHTR-CYBMUJFWSA-N 337.420 1.678 0 40 EDAB O=C(CN1CCCc2cc(F)c(F)cc21)N[C@@H]1CCS(=O)(=O)C1 26342896 UNBQRHNOSUNJLA-LLVKDONJSA-N 344.383 1.021 0 40 EDAB O=C(CN1CCN(c2ccccc2)CC1)NC(=O)NC1CCCCC1 35361641 DTQGSSPVZDTUKW-UHFFFAOYSA-N 344.459 1.967 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1[C@@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 100128035 JNJHGBCNQQJILI-BZUAXINKSA-N 346.475 1.636 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)cc(OC)c2O)C1=O 107834791 YUTITFGJOPLWNS-RUDMXATFSA-N 340.719 1.120 0 40 EDAB CC[C@@H](O)[C@H]1CCCCN1CCNS(=O)(=O)c1ccccc1 71907370 FCCQUVUISLGJMM-HZPDHXFCSA-N 326.462 1.590 0 40 EDAB CN1CCC(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 58197482 FVRZTSHAKBNPNB-HNNXBMFYSA-N 333.457 1.948 0 40 EDAB CCn1cc(NC(=O)N2CCC(CN3CCN(C)CC3)CC2)cn1 58140899 FFTKJXKZQAKDAZ-UHFFFAOYSA-N 334.468 1.394 0 40 EDAB NC(=O)C1CCN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)CC1 44894894 JOISFGOOFGQIBO-CQSZACIVSA-N 329.400 1.302 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN3CCCC[C@H]23)cn1 48287800 HYTDULOKRGGCRQ-QWHCGFSZSA-N 338.433 1.233 0 40 EDAB Cc1cccc(NC(=O)CCNS(=O)(=O)N2CCC(C)CC2)n1 58278890 AIDULNOYRWONJT-UHFFFAOYSA-N 340.449 1.285 0 40 EDAB C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC2(CC1)OCCO2 24995815 IMCZKFYOMNQHKM-ZDUSSCGKSA-N 333.388 1.562 0 40 EDAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@H](C)C(=O)N1CCCC1 48274027 STLVDRFJLJKVEM-CYBMUJFWSA-N 347.440 1.864 0 40 EDAB CCOc1ncccc1C(=O)NCCCNC(=O)c1cccc(O)c1 58329906 GEDOGHMDRRENTB-UHFFFAOYSA-N 343.383 1.736 0 40 EDAB CCCNC(=O)[C@@H](C)N1CCC(C(=O)Nc2cnn(CC)c2)CC1 58311285 PHYZSRJXQUYNQP-CYBMUJFWSA-N 335.452 1.468 0 40 EDAB C[C@H]1CN1C(=O)c1cc(C(=O)N2C[C@@H]2C)cc(C(=O)N2C[C@H]2C)c1 100261555 PBWSPPTYGLDOFW-FLTVVOSZSA-N 327.384 1.220 0 40 EDAB Cc1cccc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1 58648299 QKHJWIVSCGSGOI-UHFFFAOYSA-N 345.380 1.003 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)n1ccc2c(cnc3ncnn32)c1=O 36358530 YBXQAUCXYLOAQF-AWEZNQCLSA-N 335.323 1.308 0 40 EDAB Cc1nc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)sc1C 48326503 RNYZBFKLHPHLRF-UHFFFAOYSA-N 331.405 1.578 0 40 EDAB COC(=O)c1c(NC(=O)c2c(C(=O)O)cnn2C)sc2c1CCC2 36615415 BSVYYNSIOWNBKW-UHFFFAOYSA-N 349.368 1.707 0 40 EDAB Cc1nc(COc2ccc(CNCCS(C)(=O)=O)cc2)no1 62423055 VZFPWNMSXVUFNA-UHFFFAOYSA-N 325.390 1.091 0 40 EDAB CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)ccc1Cl 11566098 XFCJXOHEBHIBMA-UHFFFAOYSA-N 346.836 1.592 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NCCc2nnc3ccccn23)cc1 11546031 YHEORFSMKXWFKX-UHFFFAOYSA-N 344.396 1.105 0 40 EDAB CCc1ccc([C@H](CNS(=O)(=O)c2cnn(C)c2)N(C)C)cc1 46033784 WCJVAZWTFGEXRT-INIZCTEOSA-N 336.461 1.564 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1F 46036537 IMHKURZLDJOWFP-UONOGXRCSA-N 328.409 1.739 0 40 EDAB O=C(O)/C=C/c1ccc(S(=O)(=O)NCCNc2ccccn2)cc1 12982003 IHWPFRXFUCSZOH-RMKNXTFCSA-N 347.396 1.570 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)OCc3ccc4[nH]nnc4c3)cnc12 69847383 GEBYJJMESPDUDY-UHFFFAOYSA-N 349.350 1.720 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)c(F)cc1F 69869533 MTAPPZXZLDMLFS-QPUJVOFHSA-N 349.355 1.597 0 40 EDAB CC(C)c1nnc2n1CCN(CC(=O)NCCc1ccsc1)C2 69952234 XUDPKPHHTLOTLB-UHFFFAOYSA-N 333.461 1.638 0 40 EDAB Cc1cc(C)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 24053054 TTXHUDGJFFOXMC-UHFFFAOYSA-N 332.429 1.604 0 40 EDAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)Cc1cn(C)c2ccccc12 111142750 AKIQDKUPMSYVKT-BBRMVZONSA-N 330.384 1.510 0 40 EDAB Cn1cc(S(=O)(=O)Oc2ccc3ccccc3c2)c(=O)n(C)c1=O 4338458 TWFBSYNQHVKAPX-UHFFFAOYSA-N 346.364 1.005 0 40 EDAB CCN(CC)[C@@H](CNC(=O)c1c[nH]c(=O)[nH]1)c1cccc(OC)c1 65399601 FYKHRCXSENPCLY-HNNXBMFYSA-N 332.404 1.525 0 40 EDAB CSc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cn1 65491664 KUMHCWMWLXOMHG-UHFFFAOYSA-N 329.447 1.414 0 40 EDAB C[C@@]1(NC(=O)c2ccc3c(c2)OCCCO3)CCS(=O)(=O)C1 22550113 ZEFSMFRKNOVKAC-OAHLLOKOSA-N 325.386 1.155 0 40 EDAB Cn1ncc2c(=O)[nH]c(CN3CCC(Oc4ccccc4)CC3)nc21 65415553 DVELCFHQKXLVNH-UHFFFAOYSA-N 339.399 1.700 0 40 EDAB Cc1nn(C)c(Cl)c1CNCCN1CCN(c2ncccn2)CC1 65464439 WEYGSVCZUOQHHR-UHFFFAOYSA-N 349.870 1.084 0 40 EDAB CCO[C@@H]1CCCN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1 65459287 NVSRVFNPJTZTAA-CYBMUJFWSA-N 345.399 1.107 0 40 EDAB Cc1ccc(NCC(=O)N2CCC[C@@H](C)C2)cc1-n1nnnc1C 65476542 HAPUTPBJDMFRRG-GFCCVEGCSA-N 328.420 1.950 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H]1c1nnc2n1CCCCC2 65563913 YMTSIGTWFUNXKU-CYBMUJFWSA-N 327.388 1.670 0 40 EDAB Cc1cccc(C)c1OC1CCN(C(=O)Cn2cccnc2=O)CC1 65511803 KCKJKGIAXDEGGU-UHFFFAOYSA-N 341.411 1.930 0 40 EDAB C[C@H](O)CNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6756539 KJJMLYINYDDUCQ-ZETCQYMHSA-N 327.406 1.201 0 40 EDAB O=C(NCC1(CO)COC1)Nc1ccc2[nH]c(C(F)F)nc2c1 93353015 BIOATEGYFHJTSS-UHFFFAOYSA-N 326.303 1.631 0 40 EDAB CN1C[C@@H](C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)CC1=O 66770446 BOKHMTAHOAQBJU-JSGCOSHPSA-N 330.384 1.600 0 40 EDAB CCn1cc(S(=O)(=O)NC2CCN(c3ccccn3)CC2)cn1 66910954 URWFJWWYDMJXOP-UHFFFAOYSA-N 335.433 1.245 0 40 EDAB CN1CCN(c2ccc(CNc3nc(N)c4ccccc4n3)cn2)CC1 301851068 BCYFETGAFUNSOQ-UHFFFAOYSA-N 349.442 1.971 0 40 EDAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2cccnc2)cc1 4973705 OVYSLTBFPZGLDA-UHFFFAOYSA-N 333.413 1.375 0 40 EDAB CCOC(=O)[C@H]1CCCN(CC(=O)NCCOc2cccc(C)c2)C1 15259983 JWECXGOLGQMKJJ-INIZCTEOSA-N 348.443 1.765 0 40 EDAB COCCn1cc2c(n1)[C@@H](NS(=O)(=O)c1cccnc1)CCC2 96002777 RHPZOFFQDYSRLA-AWEZNQCLSA-N 336.417 1.280 0 40 EDAB Nc1nccnc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 67594726 DQCJTVXFKYSWID-HNNXBMFYSA-N 325.416 1.701 0 40 EDAB C[C@H](C(=O)N1CCC(Nc2ccc(F)cc2)CC1)S(C)(=O)=O 67592970 ALNUMLXARMHYOK-LLVKDONJSA-N 328.409 1.662 0 40 EDAB O=C1N[C@H](C(=O)O)CS[C@H]1Cc1ccc(Br)cc1 62712058 BQFYRTNWDVLDCU-UWVGGRQHSA-N 330.203 1.676 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1 409126998 PVIUOLYQJQYYQE-LBPRGKRZSA-N 334.397 1.590 0 40 EDAB COc1ccc(C(=O)[C@H](C)OC(=O)c2cc[n+]([O-])cc2)c(OC)c1 7777785 RLIPWYPGABPLDJ-NSHDSACASA-N 331.324 1.765 0 40 EDAB CC[C@H]1c2ccsc2CCN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 9336303 CRHBQNDRXHNDIS-YPMHNXCESA-N 342.486 1.361 0 40 EDAB Cc1cc(C(=O)NCCS(=O)(=O)Nc2ccccn2)ccc1F 71896594 XGXLHRIACKGCET-UHFFFAOYSA-N 337.376 1.701 0 40 EDAB CNC(=O)[C@H](C)CN(C)Cc1cnc2ccc(Br)cn12 93898729 KFBPEDXBXQMIDR-SNVBAGLBSA-N 339.237 1.911 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)N1CC[C@](O)(C(F)(F)F)C1 81478274 ICPKHPKYGBUUAT-BXUZGUMPSA-N 330.306 1.699 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2CCS(=O)(=O)C2)c1 70008031 COTIQNXAVRKSST-KBPBESRZSA-N 325.434 1.007 0 40 EDAB Cn1cc(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)cn1 69369455 FKZGUGZBCCCTIO-NSHDSACASA-N 337.177 1.139 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2ccccc2N2CCOCC2)CC1 69349791 GURUFRXUWIXIFD-QGZVFWFLSA-N 347.503 1.706 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2ccc(-n3cncn3)c(F)c2)CC1 69349793 GPXFPXOZUXYCBW-CQSZACIVSA-N 347.438 1.589 0 40 EDAB O=C(CN1CCC(CN2CCOCC2)CC1)NCc1ccc(F)cc1 69587759 UKHRPACOGHWIRQ-UHFFFAOYSA-N 349.450 1.486 0 40 EDAB O=C(c1cccnc1-n1cccn1)N1CCN(C2CCCC2)CC1 71802754 MZLNNUGTBHIUBW-UHFFFAOYSA-N 325.416 1.968 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2c(F)cccc2F)C1 96461537 DDWAHOHHFAKOLB-NSHDSACASA-N 346.399 1.295 0 40 EDAB CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(OC)cc1 84736323 MQACWRBMIVFGBV-HOCLYGCPSA-N 326.462 1.845 0 40 EDAB CCOc1cc(C(=O)N2C[C@H](CC)[C@H](N3CCOCC3)C2)ccn1 84736113 CFOZCWHPIYQKAE-GOEBONIOSA-N 333.432 1.663 0 40 EDAB O=C1OC2(CCN(Cc3cc4n(n3)CCNC4)CC2)c2ccccc21 72140486 KCRDZFMFXPKUOP-UHFFFAOYSA-N 338.411 1.648 0 40 EDAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCC[C@@H](C)O)C1 84792487 APQCETHPGVIWAJ-DOMZBBRYSA-N 333.388 1.072 0 40 EDAB CN1CC[C@H]2[C@H](CCCN2C(=O)CNC(=O)c2cccc(F)c2)C1 97083284 JHTHPOMGCLIQTR-ZBFHGGJFSA-N 333.407 1.498 0 40 EDAB COc1ccccc1CNC(=O)CONC(=O)Cc1ccc(C)cc1 72296208 BWUCMNIJAMFTES-UHFFFAOYSA-N 342.395 1.910 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)c3ccc(OCC4CC4)nc3)C2)cn1 72287362 QSVOKQUSVSIUCT-HNNXBMFYSA-N 341.415 1.613 0 40 EDAB Cc1cc(C)c(CNC(=O)N2CCN(CC(F)(F)F)CC2)c(=O)[nH]1 72305729 SEBWFOHXIDDAAI-UHFFFAOYSA-N 346.353 1.381 0 40 EDAB CCO[C@@H]1C[C@@H](NC2CCN(S(C)(=O)=O)CC2)C12CCCC2 95400089 QLUKHVKZZLAMTA-HUUCEWRRSA-N 330.494 1.738 0 40 EDAB CNS(=O)(=O)c1ccc(NCc2nnc3ccccn23)c(F)c1 95454036 NIUPKPPLTXBLLH-UHFFFAOYSA-N 335.364 1.389 0 40 EDAB COC[C@@H](C)N1CCN([C@H]2CCCN(c3ccccc3F)C2=O)CC1 95978802 KKRFYRBJRRNBLT-QAPCUYQASA-N 349.450 1.974 0 40 EDAB CCc1cnccc1C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 95988384 MPHMZRDOWXUGEW-UHFFFAOYSA-N 341.415 1.412 0 40 EDAB COc1ccc(CN2CCN(C(=O)CN(C)C)CC2)c(Cl)c1 89314172 JYFSYQGBEZOTKD-UHFFFAOYSA-N 325.840 1.554 0 40 EDAB Cn1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1=O 75148328 NXPIFXHSIGSCJG-UHFFFAOYSA-N 349.431 1.857 0 40 EDAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3nc4nccc(C)n4n3)C2)n1 75131099 CDBHNNSOCNGYJS-AWEZNQCLSA-N 339.403 1.723 0 40 EDAB O=C(NCC1(O)CCS(=O)(=O)CC1)C1C2CC3CC(C2)CC1C3 75147973 QATLHELFTASDHE-UHFFFAOYSA-N 341.473 1.115 0 40 EDAB O=S(=O)(c1cccc2nonc12)N(Cc1cccnc1)C1CC1 89800247 LQGOSALESAOXTA-UHFFFAOYSA-N 330.369 1.971 0 40 EDAB CS(=O)(=O)N1CC[C@@]2(C(=O)Nc3ccccc3)CCNCC[C@@H]12 306125962 DHGIFBBOFXKLOI-ZBFHGGJFSA-N 337.445 1.029 0 40 EDAB COc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)o1 32643445 IFCINIHSSLZXAT-UHFFFAOYSA-N 336.369 1.981 0 40 EDAB COc1cccc(NC(=O)C[C@@H](CN2CCC(O)CC2)C(=O)O)c1 61721613 OVCMOFMNBYFJSA-LBPRGKRZSA-N 336.388 1.181 0 40 EDAB CN1CC[C@H](CNS(=O)(=O)c2cnc3ccsc3c2)CC1=O 521395862 DARSQMVVRHNQAP-JTQLQIEISA-N 339.442 1.443 0 40 EDAB O=C(O)c1cnc(N2CCOCC2)nc1COc1ccccc1F 72265493 FAAUEKWWRBMKKV-UHFFFAOYSA-N 333.319 1.730 0 40 EDAB CN(C)CCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 38752650 RRJYGCQKGAMYPJ-UHFFFAOYSA-N 333.841 1.393 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O)Nc1ccccc1 77265110 IVXTYMKXSCHDNU-ZACQAIPSSA-N 342.399 1.121 0 40 EDAB biogenic,in-vitro CN(C)c1ncc(CN2CCO[C@](C)(C(=O)NC3CCCC3)C2)cn1 72355271 OGQIXCAVXXOCFI-SFHVURJKSA-N 347.463 1.192 0 40 EDAB NC(=O)c1ccc(NC(=O)CN2CC(=O)Oc3ccccc32)cc1 31834321 NFRGHCMYVVWHES-UHFFFAOYSA-N 325.324 1.150 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2)C1 78602767 CWAZWRSKLBMQDJ-CYBMUJFWSA-N 341.358 1.130 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(N)C(=O)O)cc1 218051247 HSHPLOPCHMUZAE-UXLLHSPISA-N 331.393 1.717 0 40 EDAB O=C(c1ccccc1)N1CC(CS(=O)(=O)NCc2ccccn2)C1 521398229 AFKNEXZDYSGLMZ-UHFFFAOYSA-N 345.424 1.273 0 40 EDAB CC(=O)c1cccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)c1 72595154 DWUJOZRZFUFXSP-UHFFFAOYSA-N 326.418 1.427 0 40 EDAB O=C(CN(Cc1ccco1)Cc1ccco1)N[C@@H]1CCCCNC1=O 46037020 WWOQAHIDNVUXMF-MRXNPFEDSA-N 345.399 1.660 0 40 EDAB Cc1cc(C)c2c(=O)ccn(CC(=O)NCCN3CCOCC3)c2c1 225758040 GWMWYSUERRQNPP-UHFFFAOYSA-N 343.427 1.067 0 40 EDAB Cc1c(C(=O)Nc2ccc3c(c2)CCO3)nnn1C1CCNCC1 195543214 VCKBFNKSYYFZHC-UHFFFAOYSA-N 327.388 1.698 0 40 EDAB COc1ccc(F)cc1CN1CCN(c2nc(C(=O)O)co2)CC1 574991977 QANYHYYJLKFNFX-UHFFFAOYSA-N 335.335 1.843 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)no1 75170983 SSNJHRIIRRLKDW-UHFFFAOYSA-N 339.355 1.229 0 40 EDAB CCOC(=O)c1cc(C)nn(CC(=O)NCc2ccccc2)c1=O 225962261 KARXLIYECTWZPW-UHFFFAOYSA-N 329.356 1.045 0 40 EDAB COCCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225283687 DXEGPBFFCOKYLT-UHFFFAOYSA-N 331.463 1.405 0 40 EDAB CCOC(=O)N1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 225720563 KKSVVGMWJOEUMP-UHFFFAOYSA-N 343.383 1.302 0 40 EDAB NC(=O)C1(CNCc2nccn2Cc2ccccc2)CCOCC1 86250337 ZVOPNJVUIFURTR-UHFFFAOYSA-N 328.416 1.303 0 40 EDAB COc1ccccc1[C@H](CNS(=O)(=O)c1cnn(C)c1)OC 96385079 XFINFNPGUHDDKU-AWEZNQCLSA-N 325.390 1.095 0 40 EDAB COc1ccc(CN2CCCn3c(nc(CN(C)C)cc3=O)C2)cc1 96059566 CUEGZUUEFJRRMW-UHFFFAOYSA-N 342.443 1.719 0 40 EDAB O=S(=O)(NC[C@@]1(O)CCOC1)c1ccc(C(F)(F)F)cc1 178985033 MGMHDFBYTDFNRN-NSHDSACASA-N 325.308 1.135 0 40 EDAB CN(Cc1cc(=O)n2ccsc2n1)Cc1nccn1C(F)F 96443498 JSCHRCANOIFQIV-UHFFFAOYSA-N 325.344 1.980 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(c1ncc(F)cn1)C2 96039518 BIKOPFBPLLYMBT-WBVHZDCISA-N 338.427 1.569 0 40 EDAB CO[C@H](CNS(=O)(=O)c1c(C)nn(C)c1C)c1cccc(F)c1 96388590 XKBGXHCTONSVHM-CQSZACIVSA-N 341.408 1.842 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(=O)n(-c3ccccc3)n1)C2 97199227 XKJFADXDBQTRBL-AWEZNQCLSA-N 349.394 1.482 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CC[C@H]2[C@H]1CCN2c1ncccn1 96184834 BINXPJQFQAGJTF-KGLIPLIRSA-N 338.367 1.699 0 40 EDAB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccccn1)C2 96259124 SBTWSBXJQSMXGF-UHFFFAOYSA-N 325.416 1.957 0 40 EDAB Cn1ccnc1CN1C[C@H](OCc2nc3ccncc3[nH]2)[C@H](F)C1 96112128 CFSGYDFMOWILBC-RISCZKNCSA-N 330.367 1.431 0 40 EDAB biogenic,in-vitro Cc1noc(C)c1CN1C[C@@H]2C[C@H](CC(=O)NCC3CC3)O[C@@H]2C1 96217131 RYPPMYKOIWJHES-ZMSDIMECSA-N 333.432 1.797 0 40 EDAB O=C(c1cnoc1)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 96217518 FSUCZOLIZNUFEK-NVXWUHKLSA-N 329.356 1.375 0 40 EDAB Cn1cc([C@H]2CN(S(=O)(=O)N3CCCCC3)CC2(C)C)cn1 583651132 FSGFJEJZGJUFGW-CQSZACIVSA-N 326.466 1.576 0 40 EDAB CCOC1(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)CCCC1 583618769 FXBIMWPHQOQLCI-INIZCTEOSA-N 336.436 1.628 0 40 EDAB Cn1cc([C@H]2CC(=O)NC23CCN(Cc2ccncc2)CC3)cn1 96061495 QZDWAEGYLKIRDW-MRXNPFEDSA-N 325.416 1.453 0 40 EDAB Cc1cc(NCCNC(=O)[C@@H]2C[C@@H]2c2ccco2)n2ncnc2n1 96448355 NCYYLGHZIJKNRS-NWDGAFQWSA-N 326.360 1.358 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3cccs3)C2)OC1 247546737 UTAPYBIPDRRARF-LBPRGKRZSA-N 330.475 1.278 0 40 EDAB Cc1cc(CN2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)no1 247894335 GRRWYFJVHCMKHY-CQSZACIVSA-N 340.445 1.399 0 40 EDAB COC(=O)c1nc(NC(=O)CCCn2cnnn2)sc1C(C)C 524733666 CDNAJKPHFFYMTD-UHFFFAOYSA-N 338.393 1.459 0 40 EDAB Cc1ccccc1C(=O)N(C)C[C@]1(O)CCCN(c2ncccn2)C1 257242624 IDJLQOQVIXDOSO-LJQANCHMSA-N 340.427 1.889 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1 257252634 JVMZEVUCKCWDIC-INIZCTEOSA-N 329.404 1.238 0 40 EDAB CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1Cc2ccccc2OC(C)(C)C1 585085605 PYBNQPCLPZAOQX-HUUCEWRRSA-N 332.400 1.168 0 40 EDAB NCc1cncc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 257275343 NOYCBVVLNZKLFK-OAHLLOKOSA-N 336.392 1.600 0 40 EDAB CN1CC[C@@H](N2CC[C@@H](Oc3cncc(Br)c3)C2)C1=O 585116349 RKGOGPRGBJJYCL-DGCLKSJQSA-N 340.221 1.528 0 40 EDAB CC[C@H]1CCc2c(sc3nc(CS(=O)(=O)NC)nc(O)c23)C1 585137094 HXZUWYZXMCOMEY-QMMMGPOBSA-N 341.458 1.961 0 40 EDAB Cc1ccc(C2=NO[C@H](CNC(=O)N3CCC[C@H]3CO)C2)cc1C 252509195 YFQXJGHXAYSOIQ-HOTGVXAUSA-N 331.416 1.963 0 40 EDAB CS(=O)(=O)c1cncnc1C1CCN([C@@H]2CCCC[C@@H]2O)CC1 257343468 ZTDNEBSUSYSTAQ-KGLIPLIRSA-N 339.461 1.363 0 40 EDAB CCc1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)on1 257252994 JXCYFKMWRIMWHO-SFHVURJKSA-N 344.415 1.736 0 40 EDAB CCc1n[nH]c(C(=O)N2CCC[C@@](O)(CN3CCCC3)CC2)c1C 257265868 MAROQAVEJCIKJM-SFHVURJKSA-N 334.464 1.734 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC(c2ccnc3ccnn23)CC1 257229241 FXIDGGCOOMWEEF-UHFFFAOYSA-N 337.449 1.495 0 40 EDAB Cc1nonc1CC(=O)N1CCC[C@H](Cc2nccnc2N(C)C)C1 257204781 AWGVQPVCPVGFBB-CYBMUJFWSA-N 344.419 1.258 0 40 EDAB COCCN1C(=O)C[C@@H](C(=O)NC2CC2)[C@@H]1c1ccccc1OC 257312348 UNMYITWWAJZIRD-PBHICJAKSA-N 332.400 1.510 0 40 EDAB CCc1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)no1 257336622 YPGLLVYBOBQTIW-KRWDZBQOSA-N 345.403 1.131 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2ccc(F)c(Cl)c2)C1 257263850 LRTBQGPHWWUPHI-GFCCVEGCSA-N 341.814 1.158 0 40 EDAB O=C(O)c1cn(-c2cccc(NC(=O)c3nc[nH]c4nccc3-4)c2)nn1 1602495075 OMYPWYPIZLWLSE-UHFFFAOYSA-N 349.310 1.441 0 40 EDAB C[C@@H](C(=O)O)C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 1602806608 PGRPFGZLADRXBJ-RXMQYKEDSA-N 332.234 1.696 0 40 EDAB O=C(O)c1cnc(C(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)cn1 263106714 BKWXAYSAGFUHJW-CQSZACIVSA-N 346.387 1.086 0 40 EDAB Cc1cc(C(=O)N[C@@H](C(=O)O)[C@H]2CCCOC2)ccc1-n1cncn1 262777505 LWSOAPLPIAMNGU-DZGCQCFKSA-N 344.371 1.185 0 40 EDAB CCn1cc(CNC(=O)N[C@@H]2CCc3ccc(C)cc32)c(O)nc1=O 1615615094 OJYGXPZEKVDVNI-OAHLLOKOSA-N 342.399 1.764 0 40 EDAB CC[C@](C)(COc1ncccc1Cl)NC(=O)[C@@H]1COCCN1C 390834736 VLDSECGCUALYDI-XJKSGUPXSA-N 341.839 1.729 0 40 EDAB Cc1ccc(CN(c2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575420457 ITZWPCOHTOBYOZ-ROUUACIJSA-N 347.436 1.865 0 40 EDAB COc1nc(C)cc(C)c1CNC(=O)NCc1nnn(C(C)(C)C)n1 654423527 QRPYKFKHUXGYSM-UHFFFAOYSA-N 347.423 1.448 0 40 EDAB O=C(c1cncnc1)N1CCO[C@](CO)(Cc2ccccc2F)C1 585277933 YYWHFSSVQFMMQR-QGZVFWFLSA-N 331.347 1.062 0 40 EDAB Cc1snnc1C(=O)N1Cc2nccn2C[C@H](CN(C)C(C)C)C1 585110697 VNFOFBFSPFNQPE-ZDUSSCGKSA-N 348.476 1.655 0 40 EDAB COCCN1CC[C@@]2(CN(C(=O)c3cocn3)CC(F)(F)C2)C1=O 585093210 JKSJZJNVINSVJG-CQSZACIVSA-N 343.330 1.021 0 40 EDAB Cc1cccc(OC[C@]2(O)CCCN(C(=O)c3ncccn3)C2)c1 585269331 PJWRDMWGDIIVFW-SFHVURJKSA-N 327.384 1.831 0 40 EDAB CCN(C)S(=O)(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1 585140293 BSLNJIVMCMCNLF-UHFFFAOYSA-N 333.435 1.163 0 40 EDAB COc1ccc(C(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)c(F)c1 69770653 BVDGVQNGBIAJCR-INIZCTEOSA-N 338.423 1.999 0 40 EDAB CCO[C@H]1CCCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 71825566 MWEDARNQDRMCAC-ZDUSSCGKSA-N 337.420 1.269 0 40 EDAB CCCCn1nnnc1CN(C)C[C@H]1CCCN1c1cccnn1 71859973 ZLWGHFHXQSHUCZ-CQSZACIVSA-N 330.440 1.364 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1cccnc1 51134609 QYAGLGSQPIADOI-NSHDSACASA-N 346.412 1.312 0 40 EDAB CC[C@H]1C(=O)NCCN1C(=O)NCC1(c2ccc3c(c2)OCO3)CC1 72270212 VGHGOCHKTLLDEK-ZDUSSCGKSA-N 345.399 1.367 0 40 EDAB C[C@@H]1COc2ccccc2N1C(=O)CCn1nc2ccccn2c1=O 72532900 NUAMOONVSQMJOE-CYBMUJFWSA-N 338.367 1.700 0 40 EDAB CN([C@H]1CCOC1)S(=O)(=O)c1ccc(Br)cc1F 97163115 JQAANQJXHGQJRM-VIFPVBQESA-N 338.198 1.998 0 40 EDAB Cc1ccnc2nc(C(=O)NCCc3nc(-c4ccccc4)n[nH]3)nn12 97143852 AOHHBDAPRJBQGZ-UHFFFAOYSA-N 348.370 1.190 0 40 EDAB Cn1ncnc1NC(=O)c1c(F)cccc1I 89741198 ATQAZLHUOJWHQP-UHFFFAOYSA-N 346.103 1.811 0 40 EDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2cccs2)nn1 1549162319 TWTDMNLPCXLJKX-GZBFAFLISA-N 336.461 1.555 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@](O)(COc3ccc(F)cc3)C2)c(O)n1 1615143909 DBUCQOOGYRQGLP-SFHVURJKSA-N 346.358 1.891 0 40 EDAB Cc1ccc(CNC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)cc1 12146646 VOWXOKHENGORRI-UHFFFAOYSA-N 338.367 1.710 0 40 EDAB C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@@H](C)O1 13110139 YBYHGWOHSNWGTN-BETUJISGSA-N 331.416 1.627 0 40 EDAB Cc1cnc(-c2nc(O)c3c(n2)CN(C(=O)[C@@H]2C[C@H]2C)CC3)cn1 13227846 LTOGVIOADUZUJR-BXKDBHETSA-N 325.372 1.488 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)OC)c2)c1 15976204 OHILFMGIXUEWOQ-UHFFFAOYSA-N 348.380 1.634 0 40 EDAB CNc1cc([C@H]2CCCN(C(=O)COC)C2)nc(-c2cccnc2)n1 19592160 UVDMTCLLXHSEJQ-AWEZNQCLSA-N 341.415 1.933 0 40 EDAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCNC(=O)NC(C)C)C1 581008425 HTEGNZRDDSWFRE-HUUCEWRRSA-N 326.485 1.711 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)cs1 31262231 ZPAUTCJEGWSBFI-UHFFFAOYSA-N 344.440 1.508 0 40 EDAB Cc1cc(C)c(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1C 4360972 NLEMNIXBRPBCCY-UHFFFAOYSA-N 346.383 1.668 0 40 EDAB CC(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 11052685 HRXMBIFPWJNTFP-UHFFFAOYSA-N 335.381 1.640 0 40 EDAB CCC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cnc4n3CCC4)C[C@@H]21 1014612497 LFUKTWQEYUKWSC-HZSPNIEDSA-N 330.432 1.596 0 40 EDAB CN1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]1C(N)=O 1848353555 AZWKRRPPADPCMY-KRWDZBQOSA-N 339.395 1.720 0 40 EDAB CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)Cc1ccc2ccccc2c1 1848355542 VQPZIKVGRYZDPQ-SJORKVTESA-N 325.412 1.175 0 40 EDAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)O 5307527 CMZUWIZPTIOFJA-FZMZJTMJSA-N 348.399 1.938 0 40 EDAB Cc1ncsc1C(=O)N1CC[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037985620 PVFZJADCLOHGTN-MRXNPFEDSA-N 337.445 1.551 0 40 EDAB O=C(c1ccnc(F)c1)N1CC[C@H]2C[C@]21C(=O)NCc1cccnc1 2056226501 SIUUJGOGKKZKNT-KBXCAEBGSA-N 340.358 1.537 0 40 EDAB Cc1ncnc(C(=O)N2[C@H]3CC[C@H]2CN(Cc2cccnc2)C3)c1C 1565549028 NHFLMLWXBFOWMV-IRXDYDNUSA-N 337.427 1.977 0 40 EDAB COc1ccc(CCNC(=O)c2cnc3ccc(C)cn3c2=O)cc1 8604645 GWAOXIFZPUAAOK-UHFFFAOYSA-N 337.379 1.984 0 40 EDAB CCn1nnc2c(=O)n(CC(=O)Nc3ccc(C)c(C)c3)cnc21 13531565 FCPMWCLDIMKPRB-UHFFFAOYSA-N 326.360 1.263 0 40 EDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)CC2CCOCC2)C1 2055772489 NEXSGQYUYIVNFZ-SFHVURJKSA-N 348.447 1.106 0 40 EDAB COc1ccnc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)n1 1775979079 ZFSSRODZZGBKLA-UHFFFAOYSA-N 338.371 1.862 0 40 EDAB COC(=O)CS[C@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 206696503 PSFQNPMWEYPJDD-LQPUYASZSA-N 349.408 1.936 0 40 EDAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)COc1ccc(C(C)C)cc1 225632144 LVTMDLQLLNDPAH-JKSUJKDBSA-N 335.400 1.978 0 40 EDAB C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C[C@@H](C)O1 8245922 HHAXDPLYMJDFJX-IJEWVQPXSA-N 348.418 1.853 0 40 EDAB COC(=O)CC(CC(=O)OC)c1ccc(OC)c(OC)c1OC 41107673 RMMQFYYGWMCMKR-UHFFFAOYSA-N 326.345 1.922 0 40 EDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1ccc(F)c(F)c1 10491984 ZCMPDIQYRYFQAO-UHFFFAOYSA-N 332.314 1.783 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)Cc1csc(N2CCCC2=O)n1 31395857 ARMNZYWWTWLOFE-LLVKDONJSA-N 333.417 1.214 0 40 EDAB CC(=O)Nc1cccc(-n2nnnc2SCc2noc(C)n2)c1 31448893 VPBLLOSPUZIJAE-UHFFFAOYSA-N 331.361 1.604 0 40 EDAB NC(=O)c1ccc(-c2nnn(C[C@H](O)c3ccc(F)c(F)c3)n2)cc1 51289237 LRUYSVZDNBQPFK-AWEZNQCLSA-N 345.309 1.451 0 40 EDAB Cc1ccccc1CCNC(=O)COC(=O)c1ccnc(N(C)C)c1 51221174 OFCMGJMIWTWMKX-UHFFFAOYSA-N 341.411 1.972 0 40 EDAB COCCN(C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccncc1 101126748 OMRYBTIRRBEGGV-GASCZTMLSA-N 345.399 1.236 0 40 EDAB CN(C)c1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1 224503 SRUOLTXXQCIGRM-UHFFFAOYSA-N 339.443 1.908 0 40 EDAB CNC(=O)[C@H](NC(=O)CN1CCN(c2ccccc2)CC1)C(C)(C)C 52525312 NPHXCTWDVIKALM-KRWDZBQOSA-N 346.475 1.086 0 40 EDAB Cc1ccc2nc(COC(=O)c3ccnc(N(C)C)c3)cc(=O)n2c1 32928628 AXXSKWLOGPZGSU-UHFFFAOYSA-N 338.367 1.821 0 40 EDAB CCn1nc(C(C)C)cc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 76051874 NSPBQDGEPGFZCH-WMLDXEAASA-N 334.464 1.819 0 40 EDAB COCc1cc(C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c(C)o1 76060265 XLJYCHQJDPFCOF-NSHDSACASA-N 346.387 1.576 0 40 EDAB CCn1ncc(Br)c1C(=O)N[C@H](C)CN1CCOCC1 22248228 VHWMPJOHYPWPCT-SNVBAGLBSA-N 345.241 1.116 0 40 EDAB CN(C)C(=O)Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 103493196 XQHSCCIYHVMQEV-CLROSIBMSA-N 342.395 1.779 0 40 EDAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2nc(C)no2)CC1=O 79642384 AWOQVSUKZSHLSH-LLVKDONJSA-N 330.344 1.687 0 40 EDAB CNS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCO3)sc2c1 2694813 FCZICSUWSUBMCC-SNVBAGLBSA-N 341.414 1.322 0 40 EDAB CCOC(=O)C1=C(CN2CCC[C@H]2c2cc(C)no2)NC(=O)NC1 47273519 MQKZYQMWUSHPCU-ZDUSSCGKSA-N 334.376 1.250 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3ccccc32)n(C)c1 53477441 KGIVBKSOWUROPI-CQSZACIVSA-N 333.413 1.351 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)C1 53893997 IWYIHDVZSKWEKN-JTQLQIEISA-N 349.387 1.809 0 40 EDAB O=C1CN(C(=S)NCCSc2ccc(Cl)cc2)CCN1 7968355 FIIJOKPLKJUTAJ-UHFFFAOYSA-N 329.878 1.738 0 40 EDAB C[C@@H](NC[C@@H](O)CN1CCOCC1)c1ccc(-n2ccnc2)cc1 23654360 ZPLBGSNLTGOVMY-CRAIPNDOSA-N 330.432 1.216 0 40 EDAB CC(=O)N[C@@H](CC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1 23640227 XLLSTHQTVQJFTK-KRWDZBQOSA-N 347.459 1.481 0 40 EDAB CO[C@H](C)CC(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 97046224 HPEJPKSOIXNLFY-RNCFNFMXSA-N 343.221 1.859 0 40 EDAB Cc1cc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCCO4)n(C)n1 101025634 XTQISKVSKRJTFH-WUKNDPDISA-N 344.396 1.794 0 40 EDAB CN1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1=O 72293601 SMWRBYAUROZOLY-UHFFFAOYSA-N 328.347 1.879 0 40 EDAB Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](C(N)=O)C3)C2=O)cc1Cl 24762672 WMEPKENNTIYXQN-BXUZGUMPSA-N 349.818 1.478 0 40 EDAB CCNC(=O)N[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C)C[C@@H]1OC 106798092 ZPKOREXFPCBHCP-BMFZPTHFSA-N 348.447 1.340 0 40 EDAB CCOC(=O)N(C)c1ccc(NC(=O)C2=NN(CC)C(=O)C2)cc1 72289290 XPYOCAHQMPSWAT-UHFFFAOYSA-N 332.360 1.826 0 40 EDAB CC(C)N(CC(=O)NC(=O)NCc1ccccc1)Cc1cnn(C)c1 55921983 ONHIDVJGGUZGFS-UHFFFAOYSA-N 343.431 1.657 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)CSC)CC2)c(OC)c1 56026761 PLHAQAWJVRKPTA-UHFFFAOYSA-N 338.429 1.351 0 40 EDAB COC(=O)[C@H](CNC(=O)Nc1nncs1)Cc1ccc(F)cc1 58017153 FJRKYHIDHMNXEG-JTQLQIEISA-N 338.364 1.831 0 40 EDAB Cc1oncc1C(=O)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108525520 IGFACBAGUMGQCR-IRXDYDNUSA-N 342.399 1.494 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Nc1cccc(Cl)c1OCCOC 58299380 LEHXAHGFSBQFOM-VIFPVBQESA-N 329.784 1.621 0 40 EDAB COc1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 100646860 QBIXQUUWHHOLLI-BRKCAASYSA-N 345.351 1.375 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)NCCOc2cccc(F)c2)C1 48235251 QAVJQPSRQOOPNF-ZDUSSCGKSA-N 347.394 1.922 0 40 EDAB Cc1cc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[nH]n1 58323638 MLXMWAHPYVMXHC-UHFFFAOYSA-N 328.781 1.995 0 40 EDAB CC(C)N1CCC[C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 58308969 UOAOXRGLWDOSCZ-CQSZACIVSA-N 338.473 1.940 0 40 EDAB Cn1ncc2c(N3CCC[C@H](C(=O)Nc4nccs4)C3)ncnc21 54125535 WGZJZFAEWWABBG-JTQLQIEISA-N 343.416 1.675 0 40 EDAB COCCN1C[C@@H](C(=O)N(C)Cc2nc3ccccc3s2)CC1=O 45292010 JQPOPJILMINKJI-LBPRGKRZSA-N 347.440 1.750 0 40 EDAB CCS(=O)(=O)c1ccc(NCC(=O)NC(=O)NC(C)(C)C)cc1 11039139 NAPHMDHUNZZNFL-UHFFFAOYSA-N 341.433 1.516 0 40 EDAB CN(CC1CC1)C(=O)CN1CCCN(C(=O)c2cccc(F)c2)CC1 97477818 KHUVDPAVHCITIU-UHFFFAOYSA-N 347.434 1.842 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)no1 3329457 GFDAFZYXZAEMDM-QGZVFWFLSA-N 340.339 1.315 0 40 EDAB Cc1csc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)n1 12884208 XQBGEKWSFKUAGK-UHFFFAOYSA-N 328.397 1.937 0 40 EDAB CN(C(=O)CSc1ccccc1C(=O)O)[C@@H]1CCS(=O)(=O)C1 12937181 MYDCDDHLGZCQHY-SNVBAGLBSA-N 343.426 1.122 0 40 EDAB O=C(Cn1cnc(NC(=O)c2cccs2)n1)NCc1ccccc1 71184916 FMFBWQUBWCIJFD-UHFFFAOYSA-N 341.396 1.908 0 40 EDAB CS(=O)(=O)CCN1CCO[C@H](c2ccc(Br)cc2)C1 49068761 DAFCGHZZRFUVDQ-ZDUSSCGKSA-N 348.262 1.867 0 40 EDAB COc1cc2nc(CCN3C(=O)N=NC3=O)c(=O)n(C)c2cc1OC 6072333 NPKSULYVSICWLD-UHFFFAOYSA-N 345.315 1.501 0 40 EDAB in-vitro COc1cc(CNC(=O)c2sccc2C)ccc1OCC(N)=O 65464905 HCXBXXMQLFSLPA-UHFFFAOYSA-N 334.397 1.859 0 40 EDAB CC(C)c1ncncc1C(=O)NCCNC(=O)c1ccccc1F 65415430 IKDOSVBCBNNXCQ-UHFFFAOYSA-N 330.363 1.899 0 40 EDAB COc1ccc(COCC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 65519272 TVZBTQZTJFIYCS-UHFFFAOYSA-N 330.384 1.833 0 40 EDAB C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1nnc2n1CCC2 65563031 SQABUPBEYZQFJV-SECBINFHSA-N 327.344 1.046 0 40 EDAB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(=O)n1C 65589213 XWDDHJYEMCBUOD-UHFFFAOYSA-N 349.412 1.196 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCC2(c3ccccc3)CCOCC2)C1 65518219 OBBSORAIRJIXOY-CQSZACIVSA-N 331.416 1.252 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 65564763 MYQOOJXLAFLZDR-SZMVWBNQSA-N 332.444 1.961 0 40 EDAB C[C@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)NC1CCCC1 65575497 UXLANMQXHSPHET-PKWAYOAASA-N 339.461 1.004 0 40 EDAB CC(C)N(C(=O)Cn1cnc2c(cnn2C)c1=O)C1CCCCC1 14170339 MBAOEQAWOUXDQJ-UHFFFAOYSA-N 331.420 1.700 0 40 EDAB C[C@@H](OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)NC(C)(C)C 14803506 ZFYFCUQZLFECFV-GFCCVEGCSA-N 335.404 1.378 0 40 EDAB CCN(C1CCN(C[C@@H](O)c2ccccc2)CC1)S(C)(=O)=O 66882561 SHKQWKKKSPSKTA-MRXNPFEDSA-N 326.462 1.466 0 40 EDAB O=C(NCCn1ccnc1)Nc1cccc(S(=O)(=O)C(F)F)c1 67317483 XFFRVUHDGAZLQI-UHFFFAOYSA-N 344.343 1.701 0 40 EDAB COCCNC(=O)CN(C)C(=O)Cc1c[nH]c2ccc(Cl)cc12 95399693 RBRXTQXSXWLNPL-UHFFFAOYSA-N 337.807 1.585 0 40 EDAB CC(C)(C)C(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O 7560315 BKKGCPJABZLXDN-SFHVURJKSA-N 346.383 1.884 0 40 EDAB Cc1nnc(COC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)o1 7780061 ZJLPRRNGLHHXBU-UHFFFAOYSA-N 343.261 1.870 0 40 EDAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1ccccc1F 7883120 COIBQORXISYBJD-GFCCVEGCSA-N 337.376 1.485 0 40 EDAB O=S(=O)(CCNc1nccc(C(F)(F)F)n1)NCC1CCC1 68765905 WTTNSYPYKWSMHN-UHFFFAOYSA-N 338.355 1.627 0 40 EDAB NC(=O)[C@@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 71794104 FOXSKIRABMYPHX-SFHVURJKSA-N 334.379 1.758 0 40 EDAB O=C(NCc1cccc2c1OCO2)[C@H]1CC(=O)N(C2CCCC2)C1 70037921 MSQRQWHSEAPACJ-ZDUSSCGKSA-N 330.384 1.823 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@H]2Cn2cc(C)cn2)ccc1=O 70040991 BPEAEIHZFBIRBD-AWEZNQCLSA-N 329.404 1.463 0 40 EDAB C[C@H](CC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 69369975 VDXZQBPRRUSNML-OAHLLOKOSA-N 344.459 1.673 0 40 EDAB CCn1cc(CN2CCCN(C(=O)[C@H](C)n3ccnc3)CC2)cn1 69455175 YZHGBNPVSQPKCO-HNNXBMFYSA-N 330.436 1.395 0 40 EDAB CCOc1ncccc1NC(=O)[C@@H]1CS(=O)(=O)c2ccccc2O1 69452416 GVWPBFBLBXOBRK-ZDUSSCGKSA-N 348.380 1.654 0 40 EDAB O=C(CCc1ccsc1)Nc1cnn(CCN2CCOCC2)c1 69559810 WPWIKIIUMNNCFN-UHFFFAOYSA-N 334.445 1.848 0 40 EDAB CC(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCCCC3)C2)CC1 69570488 QIKNYRYXNPNYBY-INIZCTEOSA-N 349.475 1.639 0 40 EDAB COc1ccc(CCN2CCN(C(=O)c3ccc[nH]c3=O)CC2)cc1 71837390 OABJDFWSRLXJDZ-UHFFFAOYSA-N 341.411 1.384 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC[C@H](CS(N)(=O)=O)C1)N1CCCCC1 71896322 DVTKGWWBHDMGPA-GJZGRUSLSA-N 345.509 1.024 0 40 EDAB C[C@@H](C(=O)Nc1nccs1)N1CCN(C[C@H](O)C(C)(C)C)CC1 69628071 TWLGXWNFJOMDFZ-STQMWFEESA-N 340.493 1.495 0 40 EDAB CCOCCNC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1 69600484 BELMBCDRIRAGIX-UHFFFAOYSA-N 336.413 1.800 0 40 EDAB COCCOc1ccc(NC(=O)N[C@@H](C)C(=O)OC(C)(C)C)cn1 69658747 DNCDHWBPTNPQGZ-NSHDSACASA-N 339.392 1.959 0 40 EDAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC(N2CCNC2=O)CC1 71821362 IJGKWKPOQGCRCN-UHFFFAOYSA-N 340.383 1.158 0 40 EDAB O=C(CCCOc1ccccc1)N1CCC[C@@H](N2CCNC2=O)C1 71830608 JEDRYCRUEULSLB-OAHLLOKOSA-N 331.416 1.862 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)N1CCN2CCCC[C@@H]2C1 71839902 VENHBNMHWAXQJU-OAHLLOKOSA-N 340.427 1.483 0 40 EDAB O=c1oc2cc(OC[C@H](O)CN3CCOCC3)ccc2c2c1CCC2 19912320 PZCLEARHRKZHFW-CYBMUJFWSA-N 345.395 1.354 0 40 EDAB COCC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 71907567 GNATXXBQRCBKHZ-NSHDSACASA-N 332.278 1.453 0 40 EDAB COc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1Br 71900721 XPYFJSPLIBVSIL-MRVPVSSYSA-N 342.193 1.810 0 40 EDAB Cc1ccc2nc(CN3CCc4ccc(S(N)(=O)=O)cc43)cn2c1 84076460 MZRYWVVTVPEUOB-UHFFFAOYSA-N 342.424 1.853 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)O[C@H]1CCCCC1=O 84005087 QPUIDPIQXJBWER-HNNXBMFYSA-N 341.367 1.738 0 40 EDAB Cc1c(C(=O)N[C@@H](C)c2ccccn2)cnn1[C@H]1CCS(=O)(=O)C1 95950123 DIHNXGKIVMNPAT-AAEUAGOBSA-N 348.428 1.437 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2cnnn2)C12CCC2 89985921 ZNNNQBBIFCPLHE-HUUCEWRRSA-N 327.388 1.740 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@@H]1N(C)C 89948365 ZAAXFRTXMWAIEV-OAGGEKHMSA-N 331.464 1.492 0 40 EDAB C[C@H]1CN(C)CCN1CC(=O)NC1CCN(Cc2ccccc2)CC1 89938983 XLRHNWVAZSVLQL-KRWDZBQOSA-N 344.503 1.403 0 40 EDAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)cc1 408733182 FSDZLSOHVWOSQZ-OHQAAIJDSA-N 343.379 1.671 0 40 EDAB COC(=O)[C@H]1CSCN1C(=O)[C@H]1CCN1C(=O)OC(C)(C)C 521394914 YTHYGVKVDCRFNE-NXEZZACHSA-N 330.406 1.070 0 40 EDAB O=C(O)[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218038847 YTXLMGAZTPAPGW-ZOBUZTSGSA-N 332.377 1.690 0 40 EDAB Cc1ccnc(-n2nccc2NC(=O)NCc2cnn(C)c2C)c1 189825409 BSEUHPLOVHDDRZ-UHFFFAOYSA-N 325.376 1.939 0 40 EDAB CNC(=O)CSc1nnc(-c2ccccc2)n1C[C@@H]1CCCO1 35292014 NQEAEROXQAXATK-ZDUSSCGKSA-N 332.429 1.962 0 40 EDAB CC(C)[C@@H](C(=O)NCCN1CCc2ccccc2C1)N1CCCC1=O 79330745 LQCSRQUXXGXBDM-IBGZPJMESA-N 343.471 1.808 0 40 EDAB CCc1ccccc1S(=O)(=O)N1CCc2onc(C(=O)O)c2C1 521681612 ZMLXOZRIVGEBCO-UHFFFAOYSA-N 336.369 1.682 0 40 EDAB Cc1cc(C)nc(N2CCC[C@@H](c3nnc4n3CCN(C)C4)C2)n1 72352916 JQYFHMMRRHDDCY-CQSZACIVSA-N 327.436 1.514 0 40 EDAB CNC(=O)CCc1cc(C)nc([C@@H]2CCCN(c3ncccn3)C2)n1 72367010 OTSGIJXPRIUJKY-CQSZACIVSA-N 340.431 1.638 0 40 EDAB CN(CCN1CCN(CN2CCSC2=O)CC1)Cc1ccccc1 78515376 AEVADNGXVIUINT-UHFFFAOYSA-N 348.516 1.862 0 40 EDAB CC(C)N1CCC[C@@H](Cc2ccc(N3CCC(C(N)=O)CC3)nn2)C1 72387184 ZOMJYAHHEFQWJG-HNNXBMFYSA-N 345.491 1.841 0 40 EDAB Cc1nnsc1C(=O)NCC1CCN(C(=O)c2ccoc2)CC1 75156948 VHWCSYUERBKLNY-UHFFFAOYSA-N 334.401 1.722 0 40 EDAB Cc1nnc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3)s1 40287040 VJKBEPSBMRFRID-HNNXBMFYSA-N 343.368 1.052 0 40 EDAB CCCCCS(=O)(=O)NC(=O)CN1CCc2sccc2C1 195568061 XDQWHWDPVWQAGG-UHFFFAOYSA-N 330.475 1.742 0 40 EDAB CC[C@@]1(C)CN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CCO1 190603408 FMZZRBOYQFZJCD-YOEHRIQHSA-N 335.452 1.599 0 40 EDAB O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)[C@@H]1C[C@@H]1c1ccco1 84838803 HVWLGKDBFBSPKW-UONOGXRCSA-N 338.429 1.456 0 40 EDAB COc1ccc(C(N)=O)cc1CN(C)S(=O)(=O)c1ccccc1 224765166 FFFSVHZAESFDHV-UHFFFAOYSA-N 334.397 1.615 0 40 EDAB Cc1ccc(N2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)nn1 96199784 AFSQMPGDVVOEDE-CQSZACIVSA-N 326.404 1.161 0 40 EDAB Cc1cccc(CO[C@@H]2COC3(CCN(S(C)(=O)=O)CC3)C2)n1 96106811 PYSMHDVMFGOROC-HNNXBMFYSA-N 340.445 1.490 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 96487389 CHFIZKUWBKSQEW-CHWSQXEVSA-N 330.837 1.594 0 40 EDAB Cc1ccnc2nc(C(=O)NC[C@]3(O)CCCc4ccccc43)nn12 96427022 VWDAJBPSJVJJBO-GOSISDBHSA-N 337.383 1.387 0 40 EDAB O=C(Cc1ccsc1)N1C[C@@H]2OCCN(C[C@@H]3CCCO3)[C@@H]2C1 96246489 YDKKLJSMLKIHMZ-XHSDSOJGSA-N 336.457 1.381 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1 96043078 ZTPMTYFPPDKBLY-JCGIZDLHSA-N 341.411 1.970 0 40 EDAB CC(=O)N1CCCN(CC(=O)Nc2cc(C)nn2C)c2ccccc21 96452023 BAMLLWSTSOOGGV-UHFFFAOYSA-N 341.415 1.930 0 40 EDAB Cc1nnc(N2CCC[C@]3(CN(C(=O)C4CC=CC4)CCO3)C2)o1 96226678 TWDOCMISKQCMGE-KRWDZBQOSA-N 332.404 1.542 0 40 EDAB COc1cn(C)c(C(=O)Nc2ccc3occc(=O)c3c2)cc1=O 95476394 QNLGDTAWZRPOSI-UHFFFAOYSA-N 326.308 1.753 0 40 EDAB O=C(COC[C@H]1CC[C@H]2[C@H](CCN2c2ccccn2)O1)N1CCCC1 96186719 TZRQKFFFGAKJMV-IKGGRYGDSA-N 345.443 1.847 0 40 EDAB O=C1[C@H]2CN(CCn3ccnc3)CCN2C(=O)N1c1ccccc1 97370614 VJOXIIDXABCSDS-OAHLLOKOSA-N 325.372 1.036 0 40 EDAB Cn1cnc2ccc(NC(=O)c3cc(-c4cccnc4)n[nH]3)cc2c1=O 96223101 JVNKFRLPJLXEPL-UHFFFAOYSA-N 346.350 1.971 0 40 EDAB COc1ccc(C(=O)NC2(C)Cc3ccccc3C2)cc1-n1cnnn1 97237767 SZNUPRVVWBMACJ-UHFFFAOYSA-N 349.394 1.958 0 40 EDAB Cc1nc(CNC[C@@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)cs1 96199171 HLVYAOVVEYMHSD-CYBMUJFWSA-N 345.432 1.132 0 40 EDAB C1CC(CN2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)CCO1 96062339 XANRXDAMMQTVAV-IBGZPJMESA-N 338.492 1.616 0 40 EDAB CS(=O)(=O)N1CCOC[C@H]1c1nccc(NCc2ccco2)n1 96218063 XFGKKLKTKPZIFJ-LBPRGKRZSA-N 338.389 1.015 0 40 EDAB Cc1nc(CO[C@H]2CN(S(=O)(=O)C3CC3)[C@@H]3COC[C@@H]32)cs1 96185098 SNHOMOAYNXMEML-MJBXVCDLSA-N 344.458 1.160 0 40 EDAB CS(=O)(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 96239663 ULGMOTWPTJWKMF-CYBMUJFWSA-N 349.378 1.718 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ncccn2)C1 96244404 DNDFCKVQVYPYFV-QGZVFWFLSA-N 326.404 1.319 0 40 EDAB Cn1cc(N2CC[C@@]3(CCN(C(=O)c4cccs4)C3)C2=O)cn1 96050548 AJNSIXGUTQIGQG-MRXNPFEDSA-N 330.413 1.751 0 40 EDAB O=C1CCCN1C[C@@H]1CN(Cc2ccncc2)Cc2nccn2C1 96188428 MKGGYNDKPPNRQV-MRXNPFEDSA-N 325.416 1.533 0 40 EDAB Cc1n[nH]c([C@H]2C[C@@H]3CCN(C(=O)Cc4ccccn4)C[C@H]3O2)n1 96100627 WBKVGZMMHFIYGI-NWANDNLSSA-N 327.388 1.429 0 40 EDAB O=C(CCN(CCO)CCCO)Nc1cccc(Br)c1 96412963 JVJDJCMUDLQBJC-UHFFFAOYSA-N 345.237 1.454 0 40 EDAB Cc1cc(CN2CC3(CC[C@@H](CNc4ncccn4)CO3)C2)no1 247948338 XKCUABJWOANJAP-AWEZNQCLSA-N 329.404 1.866 0 40 EDAB CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1cn(C[C@@H]2CCOC2)nn1 529487067 UJWNXKFOLSYPMG-MJEQTWJJSA-N 342.399 1.357 0 40 EDAB Cn1ncc2c1[C@H](COCC1CC1)N(C(=O)c1ccnnc1)CC2 248030864 LAZFJEGVSDIGDR-HNNXBMFYSA-N 327.388 1.376 0 40 EDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@]1(C)Cc1ccccc1 249047932 WQZPUHSYLGRWNU-WMLDXEAASA-N 338.473 1.890 0 40 EDAB O=C1CN(C(=O)[C@H]2CC[C@H](O)CC2)C[C@H]2c3ccccc3CCN12 245189533 OKTGUGBZQBTMHZ-ZOBUZTSGSA-N 328.412 1.506 0 40 EDAB CCCc1cc(C(=O)N(C)C[C@@]2(O)CCN(c3ncccn3)C2)no1 257293353 QPCXGFVKURTDCE-KRWDZBQOSA-N 345.403 1.131 0 40 EDAB C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc2c(c1)B(O)OC2 584965470 PAIHZYLQPKCVRE-SNVBAGLBSA-N 329.186 1.357 0 40 EDAB Cc1oc2c(c1C(=O)N[C@@H]1CC[C@@H](N3CCOCC3)[C@@H]1O)CCCC2 257235364 GXNCVMKJYBQSBZ-IIDMSEBBSA-N 348.443 1.421 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1nnc(O)n1C 585137304 RRCBJWHYEKJBQI-GXTWGEPZSA-N 344.419 1.155 0 40 EDAB Cn1cccc1C(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 257287490 PQFIYIUNTJJGHB-KRWDZBQOSA-N 332.379 1.321 0 40 EDAB Cc1c[nH]c([C@@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257254378 KCUSLQUUOHIMAF-HNNXBMFYSA-N 329.404 1.145 0 40 EDAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccs3)C2)ncn1 257278661 ODCUOCWDZZUOQG-KRWDZBQOSA-N 346.456 1.950 0 40 EDAB CC(=O)N1CCC(C(=O)N2CC(Cc3nccc4cc[nH]c34)C2)CC1 257259755 KZVPVAHHKKUVHQ-UHFFFAOYSA-N 340.427 1.822 0 40 EDAB O=C(CC1(O)CCCCC1)NC[C@]1(O)CCN(c2ccccn2)C1 257312334 UNLJJXDEOUXQAP-GOSISDBHSA-N 333.432 1.224 0 40 EDAB Cn1cc(-c2nccnc2CC2CCN(S(C)(=O)=O)CC2)cn1 257218936 DEXIJHLHPLMDCU-UHFFFAOYSA-N 335.433 1.091 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(F)cc1F 24689622 HXBQOTYDRMDIAP-NSHDSACASA-N 332.372 1.509 0 40 EDAB Cc1ccoc1C(=O)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 253476800 BKZGNPVVHCIEHV-ZDUSSCGKSA-N 329.356 1.831 0 40 EDAB CO[C@@H](CN1CC[C@H](S(=O)(=O)NC(C)C)C1)c1ccccc1 252483003 DSEPMBBLYYXZMU-HOTGVXAUSA-N 326.462 1.776 0 40 EDAB COc1ccc(OC)c(-n2nnnc2SCCc2ccnn2C)c1 252479403 BEGLGUCRTXEDGJ-UHFFFAOYSA-N 346.416 1.748 0 40 EDAB Cn1nnc2cc(C(=O)N(CCC(=O)O)C[C@H]3CCCO3)ccc21 532257467 ZUCPCVGBCOXFKV-GFCCVEGCSA-N 332.360 1.064 0 40 EDAB COc1ccc2c(c1)C[C@H](C(=O)N1CC[S@](=O)C[C@@H](C)C1)CO2 277665805 UGBOBYSGVGVREV-YSALQEOHSA-N 337.441 1.473 0 40 EDAB CC(C)[C@@H](NC(=O)C1=NN2CCCN=C2N1)c1ccc(F)c(F)c1 1615045147 YSVKNOQAFQTSIW-CYBMUJFWSA-N 335.358 1.757 0 40 EDAB C[C@H]1CN(CCO)CCN1C(=O)c1ccc(NCC(F)(F)F)nc1 1615003062 BEXNRJSBMVYCGC-NSHDSACASA-N 346.353 1.194 0 40 EDAB NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)[C@@H]1C[C@@H]1c1ccccc1 1616053293 WLEVQKHZYBXFMA-QCODTGAPSA-N 334.441 1.458 0 40 EDAB O=C(NCC(=O)N1CC(OCC(F)(F)F)C1)OCc1ccccc1 390831327 RGUQVLSVTCIEAF-UHFFFAOYSA-N 346.305 1.703 0 40 EDAB CSCC(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 575406063 VBSLGVJMJDQCMF-CYBMUJFWSA-N 331.503 1.879 0 40 EDAB CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 575421143 GSTIWFQYCLHHOY-AAEUAGOBSA-N 349.449 1.802 0 40 EDAB O=C(CCn1cncn1)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585283656 CMOKRFFKPYSBJS-SRCQZFHVSA-N 348.378 1.142 0 40 EDAB CCOc1ccc(CCC(=O)N2Cc3ncn(C)c3C[C@@H]2CO)cc1 585094810 NNWSRLUNLUMKRI-OAHLLOKOSA-N 343.427 1.697 0 40 EDAB CN(C)S(=O)(=O)c1cccc(COC(=O)C2CCOCC2)c1 24935803 SNRPUOJYRSDRCL-UHFFFAOYSA-N 327.402 1.407 0 40 EDAB COc1ccccc1CN1[C@@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@H]1CO 585295103 LVALRAFZQRAIHK-KVPLUYHFSA-N 343.423 1.205 0 40 EDAB COC[C@H]1Cc2c(ncn2C)CN1C(=O)c1ccc2c(c1)OCO2 585094807 NNCGCBCFFKBDGK-GFCCVEGCSA-N 329.356 1.362 0 40 EDAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)CCOc1ccccc1 585279647 WRXTVALTRRNXCS-IRXDYDNUSA-N 348.443 1.988 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCCC[C@H]3CC)cnc21 29506167 CRGQNWONCWESPI-CYBMUJFWSA-N 344.415 1.900 0 40 EDAB C[C@H](NC(=O)Nc1c[nH]nc1-c1nccs1)[C@@H]1CN(C)CCN1C 1548606539 KUBNFLPSEXVAFB-JQWIXIFHSA-N 349.464 1.289 0 40 EDAB C[C@H](NC(=O)[C@@H](C)N1CC[C@H](C(N)=O)C1)c1ccc2c(c1)CCCC2 52961342 HUJQRPMXESXWIQ-IYOUNJFTSA-N 343.471 1.938 0 40 EDAB CN(C)c1ccccc1NS(=O)(=O)c1cccc(-n2cnnn2)c1 83855379 SNHMLZJLMWMPSV-UHFFFAOYSA-N 344.400 1.529 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 83829920 BRPYVPFFTYUVGN-CYBMUJFWSA-N 334.351 1.485 0 40 EDAB C[C@H](CN1CCCC1=O)NS(=O)(=O)N1CCC[C@@H]1c1ccco1 84638262 XKGYZMVCYQAFBT-CHWSQXEVSA-N 341.433 1.262 0 40 EDAB O=C(O)C[C@H]1CN(C(=O)c2cc(F)ccc2Br)CCO1 91292765 ANBJFQDWANLEHZ-VIFPVBQESA-N 346.152 1.904 0 40 EDAB Cn1ncc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c(Br)c1=O 95415147 FMKNZZXPFGQXAU-KKZNHRDASA-N 328.210 1.912 0 40 EDAB NC(=O)c1ccc2c(ccn2[C@@H]2CN(C3CCOCC3)C[C@H]2O)c1 1615191209 MAZVCQRQNKGTJQ-IAGOWNOFSA-N 329.400 1.137 0 40 EDAB C[C@@H](N)C(=O)N1[C@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 12088949 JJGKMUOINUOBSS-ZMSWOTSGSA-N 328.416 1.268 0 40 EDAB C[C@@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1c1cccs1)n1cncn1 12146575 OABAFVBEMCMJCH-FIXISWKDSA-N 333.417 1.427 0 40 EDAB COC(=O)[C@H]1CN(C(=O)Cc2nonc2C)C[C@@H]1c1ccc(F)cc1 12157260 PYHWDDGDWIBVPR-KGLIPLIRSA-N 347.346 1.475 0 40 EDAB CCOc1ccc(NC(=O)C[C@@H]2N=C(N3CCCCC3)NC2=O)cc1 13721352 WDXCAPHFVUEIMG-HNNXBMFYSA-N 344.415 1.754 0 40 EDAB Cc1nc(CC(=O)Nc2cnn(CC(=O)N3CCCCC3)c2)cs1 19746434 YTHXTGBKOYRIBH-UHFFFAOYSA-N 347.444 1.842 0 40 EDAB O=S(=O)(C1CCCCC1)N1CCC[C@H](Oc2cccnn2)C1 225458372 QJLDFIDGPOGZNE-ZDUSSCGKSA-N 325.434 1.982 0 40 EDAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(=O)[nH]c1O 18212163 NCVQSAHEYFICTM-VWYCJHECSA-N 341.433 1.967 0 40 EDAB CCOCC(=O)N1C[C@H]2CN(c3nc(C)nc4c3CCC4)C[C@@H]2C1 1888853176 JLJJFQGIGWQYID-KBPBESRZSA-N 330.432 1.205 0 40 EDAB CSc1nccc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)n1 1889104426 SZFAVNQMZHISJC-JTQLQIEISA-N 328.463 1.249 0 40 EDAB Cc1cc(CN2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)no1 22799423 ISBOBOZFTHYVRE-YOEHRIQHSA-N 334.464 1.796 0 40 EDAB CC[C@@H]1CN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CCO1 23042805 OOJXSCXMIUYENM-LLVKDONJSA-N 337.401 1.107 0 40 EDAB Cc1cccc(CS(=O)(=O)NCc2nc(-c3cc(C)on3)no2)c1 238825698 DRPJZBCZPDRGHI-UHFFFAOYSA-N 348.384 1.961 0 40 EDAB CCOc1ccc(CN2CCO[C@@]3(COCC(=O)N(C)C3)C2)cc1 2037984288 WJVMCJCZZZYNQP-GOSISDBHSA-N 334.416 1.145 0 40 EDAB CN1CCCC[C@@]2(CN(C(=O)CCc3ccc(F)cc3)CCO2)C1=O 2037985278 DLJOOIAAHZFCKV-LJQANCHMSA-N 348.418 1.998 0 40 EDAB Cc1noc([C@@H]2C[C@H]3CN(C(=O)Cc4ccc(F)cn4)C[C@H]3O2)n1 1565547808 NYNGWQKTBIAYSZ-LEWSCRJBSA-N 332.335 1.443 0 40 EDAB O=S(=O)(NCc1cn2ccccc2n1)c1ccc2c(c1)OCCO2 2961035 ITTZLUYRLVTZGC-UHFFFAOYSA-N 345.380 1.584 0 40 EDAB CCS(=O)(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC)CC1 2055738863 WIDZFZZLHMKNGB-UHFFFAOYSA-N 343.424 1.168 0 40 EDAB O=C(NCc1ccco1)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055714837 UORJIWZOKJPCJZ-CYBMUJFWSA-N 342.399 1.495 0 40 EDAB CC[C@@H](C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055716088 YQWAXYWIDUPQMM-CHWSQXEVSA-N 332.448 1.890 0 40 EDAB O=C(CN1CCC(Oc2nccs2)CC1)NC[C@@H]1CCCO1 2086868878 USMYBJUZYYAGBI-ZDUSSCGKSA-N 325.434 1.282 0 40 EDAB O=S(=O)(NCCn1ccn2nccc12)c1c(F)cccc1F 206746250 ZVKHNTGWGGVTHT-UHFFFAOYSA-N 326.328 1.393 0 40 EDAB CCn1cc(-c2noc(CNC(=O)c3cc(C4CC4)on3)n2)cn1 575414306 DHKPIWWAGGQYMJ-UHFFFAOYSA-N 328.332 1.748 0 40 EDAB O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1c[nH]c2ccccc12 575617731 WKKJUCJMZCVDPE-LBPRGKRZSA-N 347.382 1.614 0 40 EDAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)NCC(=O)OCc1ccccc1 585149567 HBJIWCAWLQKDTC-UKRRQHHQSA-N 332.400 1.254 0 40 EDAB CSc1ccc(CCC(=O)N2CC(Nc3cccnn3)C2)cc1 585148803 HMXLLPFPQBMQMQ-UHFFFAOYSA-N 328.441 2.454 0 40 EDAB Cc1nonc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 76279162 SKQAPVZFIOMCNR-GFCCVEGCSA-N 336.373 1.170 0 40 EDAB O=C(c1ccc[nH]1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225760292 HALSNQXNTMVYFF-UHFFFAOYSA-N 338.367 1.495 0 40 EDAB CN(CC(=O)Nc1ccccc1Br)[C@@H]1CCOC1=O 31207724 PGCMOIRXQZYGGD-LLVKDONJSA-N 327.178 1.635 0 40 EDAB COC(=O)[C@H]1CCCCN1C(=O)[C@H]1COc2cc(OC)ccc2C1 50606940 AAZKOIHVJCVYLZ-UKRRQHHQSA-N 333.384 1.800 0 40 EDAB NC(=O)CC1CCN(CC(=O)N2CCC[C@@H]2c2cccs2)CC1 40540748 XSTWQPDHNGUNLY-CQSZACIVSA-N 335.473 1.999 0 40 EDAB Cc1cc(NC(=O)[C@H]2C(O)=CC(=O)N3CCc4ccccc4[C@@H]23)[nH]n1 100918023 MZGJYRBEXBLFBW-IRXDYDNUSA-N 338.367 1.854 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)Nc2ccccc2N2CCCCCC2)CCO1 51587833 SYXRKIGIKUZAFT-INIZCTEOSA-N 346.431 1.785 0 40 EDAB CC(C)[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1cccs1 21669603 GHNBHCWCUHXBPM-DGCLKSJQSA-N 330.475 1.985 0 40 EDAB Cc1nn2c3c(sc2nc1=O)C(=O)N(c1ccc(F)cc1)C3=O 113867 PENDHEFRIKZJNO-UHFFFAOYSA-N 330.300 1.399 0 40 EDAB CC(C)OC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 415236 PBPLHLBHXWGWNF-UHFFFAOYSA-N 336.373 1.477 0 40 EDAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 512828 UAZPOOZIINZDKI-UHFFFAOYSA-N 349.437 1.769 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H]3CCN(c4ccccc4)C3=O)CCO2)n1 76048424 UFDIYGSJGLRKAF-CABCVRRESA-N 327.388 1.292 0 40 EDAB C[C@@H](C(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1)n1ccnc1 76046397 LSRZZPQBJSNUKY-RYUDHWBXSA-N 332.408 1.460 0 40 EDAB CCn1cnnc1CNS(=O)(=O)N1CCC[C@H]1c1ccco1 78879985 CSFYJVQRKMGOOJ-NSHDSACASA-N 325.394 1.063 0 40 EDAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)on1 78900342 JKFKJSDFHQCRTM-SNVBAGLBSA-N 331.376 1.640 0 40 EDAB Cn1cc(C(=O)Nc2cccc(-n3cnnn3)c2)c2ccccc2c1=O 79484287 RSPZQJOPMNTKKS-UHFFFAOYSA-N 346.350 1.767 0 40 EDAB CN(C)c1ccc(NC(=O)CCN2C(=O)COc3ccccc32)cn1 22419792 NCFGBTBLFIACRT-UHFFFAOYSA-N 340.383 1.902 0 40 EDAB CC(C)NC(=O)OCC[S@@](=O)c1c(Cl)c(Cl)nn1C 4643011 VFALHXWQOVJNQU-IBGZPJMESA-N 328.221 1.969 0 40 EDAB COCCNC(=S)N1CCC(NC(=O)NC2CCCCC2)CC1 4909895 LEWAACZBCJKIBI-UHFFFAOYSA-N 342.509 1.604 0 40 EDAB CCOC(=O)C1=C(C)NC(N[N+](=O)[O-])=N[C@@H]1c1ccc(OC)cc1 6891652 KMZGQVCDQFLBSB-CYBMUJFWSA-N 334.332 1.314 0 40 EDAB CCOC(=O)C1CCN(C(=O)C(=O)Nc2ccnc(Cl)c2)CC1 12389922 MZGSNSMKINXFRU-UHFFFAOYSA-N 339.779 1.475 0 40 EDAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2cccnc2)CC1 54235369 LJJKTHJPYGAYAG-UHFFFAOYSA-N 348.406 1.881 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)NC(=O)NCc1ccccc1 7985850 IQABOOHYZZRTAI-UHFFFAOYSA-N 342.380 1.484 0 40 EDAB OCCn1ncc2c(Nc3ccc(N4CCCCC4)nc3)ncnc21 97200394 XWYFICAWSZXMLK-UHFFFAOYSA-N 339.403 1.948 0 40 EDAB Cc1nc(COC[C@H]2CC[C@H]3[C@H](CCN3S(C)(=O)=O)O2)cs1 107206592 RXRVUAMJXVWHCX-RDBSUJKOSA-N 346.474 1.550 0 40 EDAB C[C@H](NC[C@@H](O)CN1CCOCC1)c1ccc(-n2ccnc2)cc1 23654362 ZPLBGSNLTGOVMY-MAUKXSAKSA-N 330.432 1.216 0 40 EDAB C[C@@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NCC(F)(F)F 23628692 XOGUSTNAEGUIFP-MRVPVSSYSA-N 339.339 1.537 0 40 EDAB COc1ccc([C@H]2CCCCCN2C(=O)C[C@H]2NC(=O)NC2=O)cc1 42895516 ALYMVQMWLHKSTP-HUUCEWRRSA-N 345.399 1.737 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)C[C@H]1Sc2ccccc2NC1=O 24472561 DINDSEAXQGOSLH-CQSZACIVSA-N 330.413 1.882 0 40 EDAB Fc1cnc(N[C@H]2CO[C@]3(CCCN(c4ncccn4)C3)C2)nc1 107731271 CYCPZSQBLYORDS-CZUORRHYSA-N 330.367 1.646 0 40 EDAB COc1ccccc1C=NNc1ncc(F)c(N2CCOCC2)n1 9236006 VHZWLAIZKRBOJY-UHFFFAOYSA-N 331.351 1.907 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cccn1)N1CCO[C@@H]2CCCC[C@@H]21 106783887 MSNPUXFXFKMCNP-FGTMMUONSA-N 346.475 1.908 0 40 EDAB Cc1cc(NC(=O)NC[C@H](c2cccs2)N2CCOCC2)n(C)n1 43435296 LUOZHWNBQHENST-CYBMUJFWSA-N 349.460 1.985 0 40 EDAB CCOC(=O)N1CCN(C2=CC(=O)N(c3ccc(F)cc3)C2=O)CC1 1442088 ZMAVUXAEWQILTD-UHFFFAOYSA-N 347.346 1.357 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3CCCN3C2=O)c(OC)c1 12567973 YXBFTLVBZDOQNF-GFCCVEGCSA-N 333.344 1.069 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)c1 25399216 GSENCAXSJICHPP-MRXNPFEDSA-N 345.399 1.922 0 40 EDAB Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@H](C)C1CCN(C)CC1 72289421 MBDCDSLDWKEAPV-CYBMUJFWSA-N 343.435 1.823 0 40 EDAB NC(=O)[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1 25481260 CJSNIYYBZHCBJO-INIZCTEOSA-N 327.384 1.700 0 40 EDAB C[C@@H](NC(=O)CN1CCN(C)C[C@H]1C)c1ccc2c(c1)OCCO2 107580890 MUYZAPWSYVEQMC-ZIAGYGMSSA-N 333.432 1.271 0 40 EDAB CCOCCN1C[C@@H]2CCCO[C@@H]2[C@H](NC(=O)c2cnoc2C)C1 107713306 LADLUEYXSOEXPP-IMJJTQAJSA-N 337.420 1.229 0 40 EDAB CCCNC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 57459928 DRDKMQIGWDZBMY-UHFFFAOYSA-N 340.449 1.154 0 40 EDAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)NC[C@@H]1CCCO1 3271259 WMJVOLFKKVIVQC-NSHDSACASA-N 331.324 1.245 0 40 EDAB O=C(NCCCOC[C@@H]1CCCO1)NCc1nnc2ccccn12 48262586 PNTHARNQQTVEHW-ZDUSSCGKSA-N 333.392 1.114 0 40 EDAB Cc1cccc([C@H](CNC(=O)NCc2cc[nH]n2)N2CCOCC2)c1 48234162 VEIRBVDWIZQNEE-KRWDZBQOSA-N 343.431 1.591 0 40 EDAB CCc1noc(CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1 44897040 NYMSWOSAHRSPEK-UHFFFAOYSA-N 344.415 1.721 0 40 EDAB O=C(Cn1ccccc1=O)NC[C@H](c1cccs1)N1CCOCC1 44867937 YBCFOOTVMMJHQV-CQSZACIVSA-N 347.440 1.100 0 40 EDAB O=C1COc2cc(C(=O)NCc3ccc4c(c3)OCCO4)ccc2N1 44868669 XWUJRNFGUAOWQI-UHFFFAOYSA-N 340.335 1.719 0 40 EDAB O=C(CN1C(=O)CCOc2ccccc21)NCCCN1CCCCC1 44870923 GHUXRVJMNSDDEF-UHFFFAOYSA-N 345.443 1.794 0 40 EDAB C[C@@](NS(=O)(=O)c1cc(F)ccc1F)(C(N)=O)c1ccccc1 58283009 ZFAXXAPHQYRHAM-HNNXBMFYSA-N 340.351 1.644 0 40 EDAB Cn1cc(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)cn1 12751030 VCADPUOIONZHDT-UHFFFAOYSA-N 327.340 1.653 0 40 EDAB NS(=O)(=O)N1CCN(Cc2ccccc2Oc2cccnc2)CC1 58264421 MEWJYEKGFQLBRC-UHFFFAOYSA-N 348.428 1.195 0 40 EDAB COc1ccc2oc(C)c(C(=O)Nc3ccn(CC(N)=O)n3)c2c1 58223420 FPLWJKDQIGXEKH-UHFFFAOYSA-N 328.328 1.684 0 40 EDAB CC(C)N(C)S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 44937411 GCXVFJLRSVNEKG-CYBMUJFWSA-N 341.481 1.726 0 40 EDAB CS(=O)(=O)Cc1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 44977971 HAYZPFVESMQTAR-UHFFFAOYSA-N 344.392 1.283 0 40 EDAB CN(C)c1ncccc1CNC(=O)N1CCN(Cc2ccco2)CC1 44969334 OUKQRJGJKIMBEJ-UHFFFAOYSA-N 343.431 1.768 0 40 EDAB CCOCCO[C@@H](C)C(=O)N1CCC(c2n[nH]c(C3CC3)n2)CC1 58393193 ZUXZFGODVDBBFS-LBPRGKRZSA-N 336.436 1.830 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(C(=O)NC(C)(C)C)cc1 58378953 MLWUTETUZXUDQM-SWLSCSKDSA-N 345.443 1.941 0 40 EDAB CN1CCC[C@H](NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 58344708 JULDAZPWLZUYHX-NSHDSACASA-N 345.852 1.536 0 40 EDAB CCN(CC)[C@H](CNC(=O)CN(C)c1cnccn1)c1ccco1 58342658 OCQIDFJKEMGIJI-CQSZACIVSA-N 331.420 1.705 0 40 EDAB C[C@@H]1CN(CC(=O)Nc2ccccc2N2CCOCC2)[C@H](C)CO1 45784810 QNVSCXVHLGWSBV-HUUCEWRRSA-N 333.432 1.571 0 40 EDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCCN(C[C@@H]2CCCO2)CC1 48368904 XRKJUHWVKYULDY-AWEZNQCLSA-N 344.415 1.997 0 40 EDAB CCOC(=O)c1ccc(NC(=O)CSc2nc(O)nnc2C)cc1 11990599 ABNTVVYIOUCPLP-UHFFFAOYSA-N 348.384 1.793 0 40 EDAB Cc1csc(=O)n1CC(=O)OCC(=O)NCc1ccc(F)cc1 12850129 MIQHQGGZMBLXME-UHFFFAOYSA-N 338.360 1.217 0 40 EDAB C[C@H](OC(=O)Cn1nnc2ccccc21)C(=O)NCc1ccccc1 12861502 RYOCTEPJOPQSNG-ZDUSSCGKSA-N 338.367 1.679 0 40 EDAB O=C(OCn1nnc2ccccc2c1=O)[C@@H]1COc2ccccc2O1 3497963 RKCLCGIAMGMJGA-HNNXBMFYSA-N 339.307 1.132 0 40 EDAB CC(C)CCNC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3600949 BYEKLJSYOGQEIN-IBGZPJMESA-N 343.427 1.932 0 40 EDAB O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)NCCc1ccccc1 13726076 SYXICRBAZCLUAQ-MRXNPFEDSA-N 334.379 1.932 0 40 EDAB CCOC(=O)CN(CC(=O)NC(=O)NC1CCCCC1)C(C)C 49980820 HRSKHQADXBTPMY-UHFFFAOYSA-N 327.425 1.418 0 40 EDAB OC[C@H]1CCCN1c1cc(N[C@@H]2CCN(CC(F)(F)F)C2)ncn1 72276215 FAGVUZLBJBASSP-VXGBXAGGSA-N 345.369 1.486 0 40 EDAB COc1ccccc1CN(C)C(=O)COC(=O)c1ccc(O)cc1O 5216691 RPORHDPSKLZNLK-UHFFFAOYSA-N 345.351 1.922 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCN2CCCCC2)[nH]n1 65415613 KQUQTMHQYWANFI-UHFFFAOYSA-N 330.436 1.643 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCCOCc2ccccc2Cl)C1 65465759 NFHWJQUIHADQPF-LLVKDONJSA-N 325.796 1.373 0 40 EDAB Cc1cccc(-n2nc(CC(C)C)nc2CC[C@@H]2NC(=O)NC2=O)c1 65431145 SPVMKNWCBKGPDG-AWEZNQCLSA-N 341.415 1.915 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@@H](NC(=O)CC)c2ccccc2)CC1 65503974 WXAIEKJYPMNAHX-INIZCTEOSA-N 347.415 1.555 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)NCc2cccc(N(C)C)c2)CC1 65591163 XRUYFMWQBMYITO-UHFFFAOYSA-N 332.448 1.762 0 40 EDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccsc2C(=O)OC)C1=O 65565025 AWFSTGDAGBJYLM-CQSZACIVSA-N 339.373 1.194 0 40 EDAB O=C(CN1CCSC1=O)NCCc1cnn(-c2ccccc2)c1 14847532 AQKILWXPDPCCSF-UHFFFAOYSA-N 330.413 1.700 0 40 EDAB CCNC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408609280 MTYRNEVKVIXQFR-UHFFFAOYSA-N 349.250 1.347 0 40 EDAB CN1CCN(c2ncc3c(=O)n(CCc4ccccc4)ccc3n2)CC1 9290374 QHBTULHRZJQGRX-UHFFFAOYSA-N 349.438 1.786 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)NNc1ccc(C(F)(F)F)cn1 16151589 JJYQLHMXOGZZJL-UHFFFAOYSA-N 335.311 1.746 0 40 EDAB CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)NC1CCCC1 8232900 PBFQITVDCZVKMR-UHFFFAOYSA-N 335.423 1.823 0 40 EDAB CC(C)N(CCCO)C[C@H](O)COCc1ccc2c(c1)OCO2 70019191 VGWAPOGEJKYRST-HNNXBMFYSA-N 325.405 1.386 0 40 EDAB Cc1ccccc1S(=O)(=O)NC(=O)[C@@H](C)OC[C@H]1CCCCO1 69343044 QUXVVRDIYRUYEO-ZIAGYGMSSA-N 341.429 1.774 0 40 EDAB Cc1cccc(C)c1-n1nnnc1Cn1c(-c2ccccn2)noc1=O 69451758 QVTUPAHUWTUVLZ-UHFFFAOYSA-N 349.354 1.539 0 40 EDAB CN(C)c1cccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 69567659 JEFHJKJFVSROSQ-UHFFFAOYSA-N 344.459 1.133 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 69567743 QXJJUPNNUNAKSI-SNVBAGLBSA-N 348.827 1.881 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)CNc2cccc3c2CCCC3)C1=O 28658649 VFTDNHATCFBMRT-GOSISDBHSA-N 344.415 1.729 0 40 EDAB CN(C)C(=O)[C@H]1CSCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 69841076 IBGZKYLBRMABCM-DIECRNLCSA-N 348.424 1.461 0 40 EDAB CC(C)c1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)CC3)C2=O)cc1 18144094 UKJINBDOLJBXGT-MRXNPFEDSA-N 343.427 1.639 0 40 EDAB c1csc(-c2noc(CCCN[C@@H]3CCc4ncnn4C3)n2)c1 69928266 RBDMEPFNWYZRTD-LLVKDONJSA-N 330.417 1.927 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@H](C)Cc1ccccc1F 69931574 IEOLVQTWLACIOL-NEPJUHHUSA-N 330.425 1.831 0 40 EDAB Cn1c(=O)c2cc(NC(=O)c3ccccc3F)cnc2n(C)c1=O 8751935 XUVFKHPDKMFGFT-UHFFFAOYSA-N 328.303 1.024 0 40 EDAB O=C(NCCOc1ccc(F)c(F)c1)N[C@@H]1CCCCNC1=O 71882508 KWBINWWGBLMCCT-CYBMUJFWSA-N 327.331 1.312 0 40 EDAB Cc1nc(CN2CCCN(Cc3nnc(C4CC4)n3C)CC2)no1 71871625 OYLXWKWIVJHBBY-UHFFFAOYSA-N 331.424 1.092 0 40 EDAB Cc1ccccc1[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C(C)C 71899826 KWVDVFCAKPZHKB-QGZVFWFLSA-N 338.473 1.539 0 40 EDAB Cc1ccc(C(=O)NC2CCN(C(=O)C3(C(=O)O)CC3)CC2)s1 118950984 TYZSHIADQDCFII-UHFFFAOYSA-N 336.413 1.642 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)S(=O)(=O)C(C)C 72234111 CVDBKOCNVZMEEZ-KGLIPLIRSA-N 341.477 1.912 0 40 EDAB C[C@H](C(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F)N1CCN(C)CC1 97112911 BPCHCNPZBDGVOM-YPMHNXCESA-N 332.370 1.381 0 40 EDAB Cc1cccc(C)c1NC(=O)CN1CCN(c2ncc[nH]c2=O)CC1 72301780 CDNDXIZOSALMAF-UHFFFAOYSA-N 341.415 1.147 0 40 EDAB CCc1ccc(N2C[C@@H](C(=O)NC[C@]3(O)CCSC3)CC2=O)cc1 72310449 SOVROQOVUQWJIQ-KBXCAEBGSA-N 348.468 1.586 0 40 EDAB Cc1nc([C@H]2COCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)no1 95468259 CJVRAEOPWSOKBF-OAHLLOKOSA-N 339.355 1.982 0 40 EDAB Cc1ccc(C)c(-n2cnc(=O)n2CC(=O)c2cc(C(N)=O)co2)c1 95983256 IBYWVPUIWLVJNF-UHFFFAOYSA-N 340.339 1.226 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N1CCN([C@H](C)c2ccccn2)CC1 95943251 XIIDMPRHBBIYKF-LSDHHAIUSA-N 343.435 1.150 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H](Cn2cncn2)C1 95994968 PJAJKQBTJXXEMW-NSHDSACASA-N 342.371 1.657 0 40 EDAB CC(C)OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 42361819 SWWWZSVKQOUEOH-UHFFFAOYSA-N 326.399 1.863 0 40 EDAB O=C1CCN(C(=O)CSc2cccc(Br)c2)CCN1 95980801 RIKHGUKWMGUWML-UHFFFAOYSA-N 343.246 1.890 0 40 EDAB C[C@@H](N1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1)C(F)(F)F 89598438 NPJZKCRRTKPJPW-TZMCWYRMSA-N 348.413 1.749 0 40 EDAB CCCn1nnnc1CN1CC[C@@H](N(C)Cc2nnc(C3CC3)o2)C1 89960678 ZBXDTLATLSXBBW-CYBMUJFWSA-N 346.439 1.050 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(CCc2ccc3c(c2)CCO3)CC1 75588267 CEVIUTQDURZSIN-OAHLLOKOSA-N 343.471 1.449 0 40 EDAB CCn1cc(S(=O)(=O)Nc2ccc3c(C(=O)O)c[nH]c3c2)cn1 75610245 IIBRCEWUGGVXCC-UHFFFAOYSA-N 334.357 1.883 0 40 EDAB COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1F 20108397 AHLCSOYAWHXSLX-UHFFFAOYSA-N 330.425 1.989 0 40 EDAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 75161456 CBQOVZRDSGNMNL-ZDUSSCGKSA-N 342.374 1.719 0 40 EDAB COc1cccc2c(C)nc(Nc3nc(C)c(CCO)c(=O)[nH]3)nc12 20673191 KXQXWCCLYZYLBJ-UHFFFAOYSA-N 341.371 1.617 0 40 EDAB CCCCC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccn1C 306142775 XJGLYCWEHIJWTC-HNNXBMFYSA-N 347.459 1.953 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3cccs3)C[C@H]1C2 306140642 UZKGBXJSARIRKO-OLZOCXBDSA-N 345.472 1.782 0 40 EDAB Cc1csc(NC(=O)CN2CCN(CC(=O)c3ccco3)CC2)n1 36708325 FAGFVANFNDZFBZ-UHFFFAOYSA-N 348.428 1.484 0 40 EDAB C[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)C1 38488279 BARXONUUMPNFDG-IUODEOHRSA-N 329.400 1.776 0 40 EDAB biogenic O=C(Cn1c(=O)oc2ccccc21)N1CCC(Cn2cccn2)CC1 62017805 RGVBWJVVFGYJQV-UHFFFAOYSA-N 340.383 1.730 0 40 EDAB CCN(CC)C(=O)CN1CCCN(c2ccc3nccnc3n2)CC1 78393931 DEGKVHYJNAFVSG-UHFFFAOYSA-N 342.447 1.405 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccccn2)[C@H]1c1ccccc1 72237967 RPUUXGBTRBENNT-IAGOWNOFSA-N 325.368 1.296 0 40 EDAB NC[C@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218504584 DSLGTRKEFZYQDB-IKGGRYGDSA-N 335.400 1.703 0 40 EDAB NC(=O)[C@]1(CCCc2ccncc2)CCCN(Cc2ncc[nH]2)C1 72367221 WREMWZQUPMNIMU-GOSISDBHSA-N 327.432 1.895 0 40 EDAB C[C@H](Nc1cccc(OCC(F)(F)F)c1)C(=O)N1CCNC1=O 30495303 MPOXMCGEAQHTPM-VIFPVBQESA-N 331.294 1.980 0 40 EDAB NC(=O)CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 75156495 QMPOXFOVQYYTHX-UHFFFAOYSA-N 326.278 1.640 0 40 EDAB CC(C)[C@H](NC(=O)c1nc2c(s1)CCC2)C(=O)N1CCOCC1 563468704 YRDUMKVCOQLCKN-ZDUSSCGKSA-N 337.445 1.245 0 40 EDAB Cc1ccc(CC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCCN3)C2)cc1 225482094 FSQGMEDSSNWLFI-ROUUACIJSA-N 343.471 1.644 0 40 EDAB COC(=O)COC(=O)c1snnc1-c1cnc(SC)nc1 223857598 OONLIXLTELSKAT-UHFFFAOYSA-N 326.359 1.047 0 40 EDAB O=c1c2nn(Cc3cccc(F)c3)c(=O)n2ccn1-c1ccccc1 225547029 BVZBPAUFNNJRDD-UHFFFAOYSA-N 336.326 1.834 0 40 EDAB COc1ncccc1C(=O)N1CC(c2nc(-c3ccccn3)no2)C1 49481479 UULGHOFJTVVABT-UHFFFAOYSA-N 337.339 1.775 0 40 EDAB O=C1CC[C@H](C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)N1 84369655 QCQDIENTCVNLFN-CABCVRRESA-N 328.368 1.620 0 40 EDAB O=C1CO[C@@H]2CN(Cc3nccs3)C[C@H]2N1Cc1ccncc1 96246368 YXNKLSDLCZOVPK-ZIAGYGMSSA-N 330.413 1.150 0 40 EDAB Cc1occc1C(=O)N1CC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96219358 XWGCICAIRQIGQT-GUYCJALGSA-N 328.372 1.864 0 40 EDAB c1cnc(N2CC[C@H]3[C@@H](CC2)OCCN3Cc2cccnc2)nc1 96082234 ZXQQEGDPMKIJRO-DLBZAZTESA-N 325.416 1.741 0 40 EDAB Cc1ccsc1C(=O)N1CC[C@@H](N2CCOCC2)C[C@@H]1C(=O)O 96069100 FOPIHQXOSDJNPL-CHWSQXEVSA-N 338.429 1.447 0 40 EDAB Cc1ccc2nnc(CNC(=O)CCNC(=O)OC(C)(C)C)n2c1 585088244 QQHHHUOFGMCDAK-UHFFFAOYSA-N 333.392 1.569 0 40 EDAB Fc1cccnc1N1CCC[C@]2(CN(c3cnccn3)CCO2)C1 96074785 YQSQTJKOEZEICX-KRWDZBQOSA-N 329.379 1.887 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CNC(=O)c2cc(C)nn2C)cc1 96192419 NRDWMMIAJYXOSA-UHFFFAOYSA-N 329.360 1.055 0 40 EDAB CCOC[C@@H]1C[C@@]2(COCCN2S(=O)(=O)c2ccccc2)CO1 96240733 OOYXZXBMHKIFJH-GOEBONIOSA-N 341.429 1.272 0 40 EDAB NC(=O)[C@H]1CCCN(c2ccccc2CNC(=O)C2=COCCC2)C1 95393217 CXAGDQVSCJJKGQ-HNNXBMFYSA-N 343.427 1.699 0 40 EDAB CC(C)NC(=O)N1CC[C@@]2(C[C@H]2C(=O)N(C)Cc2ccccn2)C1 96227449 FQUQMTKRKHJSHH-MAUKXSAKSA-N 330.432 1.870 0 40 EDAB CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN1CC[C@H](C(N)=O)C1 585086181 XJJQQQZMZQSZAE-WDEREUQCSA-N 333.379 1.438 0 40 EDAB Cc1nc(CN2CC[C@]3(CCCN(S(C)(=O)=O)C3)C2=O)cs1 96224386 MFXRDONLAKMICG-AWEZNQCLSA-N 343.474 1.226 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N(CCO)[C@H]1CCCc2ccccc21 96455047 GDLPNMJSECQFKN-YOEHRIQHSA-N 343.431 1.748 0 40 EDAB CCn1cc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)C(C)(C)C2)cn1 583650914 BNMZIIZXIBOUAO-AWEZNQCLSA-N 337.449 1.451 0 40 EDAB CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)C2=COCCC2)n1 583621489 SBDRUWBNCVVGJI-KBPBESRZSA-N 349.410 1.270 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c2n[nH]cc2c1 583621032 NHUNPSHUUGEIQE-QAPCUYQASA-N 349.394 1.968 0 40 EDAB CCN1CCC[C@H]1CNC(=O)c1c(-n2cnnn2)sc(C)c1C 583652555 FWTRVWXQAASWGW-LBPRGKRZSA-N 334.449 1.555 0 40 EDAB O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCCCCCC1 96402290 OZMIUJQRBPLUDZ-UHFFFAOYSA-N 343.435 1.528 0 40 EDAB COc1ccc(CN2CC[C@H]3[C@H]2CCN3S(=O)(=O)C2CC2)cc1 96184521 OGNOIKRUKYFORZ-SJORKVTESA-N 336.457 1.836 0 40 EDAB CC(C)[C@@H](CO)NS(=O)(=O)c1ccc(Br)c(F)c1 96483578 AERKZAUBOHRPJW-LLVKDONJSA-N 340.214 1.883 0 40 EDAB Cc1nc(C(C)C)c(C(=O)N2CCN(S(C)(=O)=O)CC2)s1 96231874 IDLAGWMFWGRNLY-UHFFFAOYSA-N 331.463 1.292 0 40 EDAB Cc1cc(Cl)cc(C)c1CN1CCN(CCS(N)(=O)=O)CC1 93740939 OCWQAVBZXKZBAR-UHFFFAOYSA-N 345.896 1.363 0 40 EDAB O=C(c1ccno1)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 96076522 KAGRALJMBFKMDH-QGZVFWFLSA-N 343.387 1.224 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CCN(c3ncccn3)C[C@@H]2O1 96041029 HDFVQXAGJHJPOE-JYJNAYRXSA-N 339.399 1.172 0 40 EDAB Cc1ccc(S(=O)(=O)N2Cc3c(CN(C)C)nn(C)c3C2)cc1 96259084 FCJWJUIPJOUIBE-UHFFFAOYSA-N 334.445 1.495 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1cccnc1)C2)c1ccco1 96108451 LQXUVLPLUSFYEH-QAPCUYQASA-N 327.384 1.553 0 40 EDAB CCS(=O)(=O)N1CC[C@@H]2O[C@@H](COCc3ccncc3)CC[C@@H]21 96186787 SBXCWTQHRNUPQT-PMPSAXMXSA-N 340.445 1.570 0 40 EDAB Cc1ccc(CN2C[C@@H](NC(=O)c3cnn(C)c3)[C@@H]3OCCC[C@@H]32)o1 96186876 OMIVTJATXAGZBQ-IKGGRYGDSA-N 344.415 1.483 0 40 EDAB O=C(c1ccncn1)N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1 247889769 YCAOPTGUJDBIET-HNNXBMFYSA-N 340.383 1.462 0 40 EDAB CN(CCn1cnc2c(N)ncnc21)C(=O)c1ccoc1C1CC1 585127871 LKURJDVBZVOBAD-UHFFFAOYSA-N 326.360 1.651 0 40 EDAB O=C(Nc1ccc(C2CC2)nn1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 585119374 FJFIEPJUROJCDN-SNVBAGLBSA-N 329.364 1.589 0 40 EDAB C[C@H]1[C@@H](C(=O)OC(C)(C)C)CC[C@@H](C)N1C(=O)[C@@H]1COCCO1 585114345 CTKQNDYGJPPHBT-RFGFWPKPSA-N 327.421 1.759 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 247862636 NICCKCCIXPJJBB-CORIIIEPSA-N 348.428 1.703 0 40 EDAB CN(C)CCNC(=O)c1sc2ccccc2c1[C@@H]1CNCCO1 257322581 WGODMTMRYNTFON-ZDUSSCGKSA-N 333.457 1.854 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)C2CCCC2)CCN1CCc1ccccc1 257322708 WHAPIQMVJZVNPK-KRWDZBQOSA-N 329.444 1.417 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccnnc3)CCO2)n1 257300214 RTKOCWLROZLOKL-MRXNPFEDSA-N 327.388 1.460 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)[C@H]1COCCN1CC(F)(F)F 252480170 BXHDZUXOJVKPKU-OLZOCXBDSA-N 332.322 1.099 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@H]2[C@@H](CCCC(=O)N2C)C1 257220551 DLFAIZXJISIOHL-GOEBONIOSA-N 332.448 1.819 0 40 EDAB O=S(=O)(CCN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NCC1CCC1 253369299 ASZCMDJTCYVPGU-ARFHVFGLSA-N 342.505 1.643 0 40 EDAB CC(C)N[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 604382085 CSXSHLHIKWUKRQ-BRSBDYLESA-N 342.443 1.437 0 40 EDAB biogenic,in-vitro Cc1cc(N2CCC[C@@](O)(CNC(=O)Cc3cccs3)C2)ncn1 257344401 ZXBDMPSVFLKUSJ-QGZVFWFLSA-N 346.456 1.537 0 40 EDAB CCCn1cc(-c2nccnc2[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 257255240 KGSCCHIOUPLOCG-CYBMUJFWSA-N 349.460 1.889 0 40 EDAB O=C(Nc1cc[nH]n1)[C@H](NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1ccccc1 541887837 FISABQKJFUFLED-DTZQCDIJSA-N 340.383 1.631 0 40 EDAB CN(C)c1nc(CNC(=O)c2cc(O)nc3ncn(C)c23)cs1 1615054868 PAFKGAWKNXZSLL-UHFFFAOYSA-N 332.389 1.126 0 40 EDAB CC(C)Oc1cccc(CNC(=O)CN[C@]23CCC[C@H]2NCC3)c1 1615059277 ZEZFTMVZCAWNRQ-MJGOQNOKSA-N 331.460 1.964 0 40 EDAB CCC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(O)cccc1OC 1615552743 YIXBQEDOHWGKJC-LLVKDONJSA-N 327.402 1.923 0 40 EDAB CN1CCC[C@@]2(CCN(C(=O)c3ccc(-n4cncn4)c(F)c3)C2)C1 1615539884 SYZYDTOJANQQPG-GOSISDBHSA-N 343.406 1.964 0 40 EDAB CO[C@@H]1COC[C@@H]1Nc1cc(I)cc(F)n1 1615615071 SBMADEDGEDBFEE-JGVFFNPUSA-N 338.120 1.651 0 40 EDAB O=C1N[C@H](CN2CCOc3cc(Br)ccc3C2)CO1 1616044079 AGPLZNFEQLKOCM-LLVKDONJSA-N 327.178 1.752 0 40 EDAB O=C([C@H]1Cc2c(O)cccc2N1)N1CCN(c2ccccc2O)CC1 1616040671 BFUNDZZLNKGCIU-OAHLLOKOSA-N 339.395 1.783 0 40 EDAB N[C@@H]1CC[C@H](CS(=O)(=O)NC2CCN(c3ccccc3)CC2)C1 1616039465 NVZCAQGZMFFLCP-LSDHHAIUSA-N 337.489 1.702 0 40 EDAB Nc1ccc(F)c(NC(=O)CCN2CC[C@@H](c3cc(O)n[nH]3)C2)c1 585141020 NOAUIBLIKVIADM-SNVBAGLBSA-N 333.367 1.655 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)Cc2ccc(-n3cccc3)cc2)[C@@H]1O 585286544 KSARUZQDFHHFME-LMMKCTJWSA-N 344.411 1.253 0 40 EDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2CC(=O)Nc2cnn(C)c2)cc1 585275745 GPVIINHCDDWNKT-ROUUACIJSA-N 342.443 1.735 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4conc4C)C[C@H]3C2)cs1 585107612 TYAXWMJARFFPMB-CHWSQXEVSA-N 332.429 1.952 0 40 EDAB COC[C@]1(CC(N)=O)CN(C(=O)Cc2ccccc2Cl)CCO1 585277547 IMKHLHYJXCPDQZ-INIZCTEOSA-N 340.807 1.002 0 40 EDAB Cc1cc(N2C[C@H]3CN(C(=O)c4ccncc4F)C[C@@H]3C2)ncn1 1776009815 RYCUXPSQVHJQPB-STQMWFEESA-N 327.363 1.528 0 40 EDAB O=C(NCCN1CCCC1)c1ccc(CNC(=O)C2CCC2)cc1 89787738 PPWLASBQNZTISF-UHFFFAOYSA-N 329.444 1.929 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC2)C1 77818758 ULIRXIODPLYTHK-JTQLQIEISA-N 337.217 1.815 0 40 EDAB Cc1csc(N2CCN(C(=O)NCCCn3ccnc3C)CC2)n1 80053139 KGPCDBPOBPYJNO-UHFFFAOYSA-N 348.476 1.878 0 40 EDAB O=C(c1ccc(Cn2cccn2)o1)N1CCC[C@H]1CN1CCOCC1 80943725 QEBBYZSDYQWMNP-HNNXBMFYSA-N 344.415 1.461 0 40 EDAB CCOc1cc(NC2CCN(c3nccn(C)c3=O)CC2)ncn1 97147848 GQHPIJBVZBOCON-UHFFFAOYSA-N 330.392 1.050 0 40 EDAB C[C@H](Cc1cccs1)NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 98010457 XCDDGNLAEAHLOF-RISCZKNCSA-N 347.444 1.517 0 40 EDAB Cc1ncc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)n1C 12121802 DOFSEEMKZDSZON-UHFFFAOYSA-N 336.399 1.844 0 40 EDAB CC(C)CNC(=O)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCCNC1 12220153 FXTKSEXHGARECT-RDTXWAMCSA-N 335.448 1.863 0 40 EDAB CCc1nnsc1C(=O)N1CC[C@H](c2cc(O)nc(N(C)C)n2)C1 12406524 NAVLWSUBOHNGQW-VIFPVBQESA-N 348.432 1.292 0 40 EDAB CC(=O)c1c[nH]c(C(=O)OCc2cc(=O)n3c(C)csc3n2)c1 18601759 MWWURNVQHJIQAO-UHFFFAOYSA-N 331.353 1.952 0 40 EDAB CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19741392 HDCGNSSVOYGZCI-LBPRGKRZSA-N 338.433 1.181 0 40 EDAB COCC(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225543694 ZBMLDACFBYEQAU-UHFFFAOYSA-N 348.378 1.127 0 40 EDAB CN1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1=O 528025277 INMIHKYZJAZROG-ZBFHGGJFSA-N 336.480 1.561 0 40 EDAB Cc1ccnn1CCC(=O)N1CCn2cc(C(F)(F)F)nc2C1 12221597 LTOJICRACNPQEC-UHFFFAOYSA-N 327.310 1.839 0 40 EDAB CCOC(=O)c1cnc(N[C@H]2C[C@H](N3CCOCC3)C2(C)C)nc1C 585092442 WXOCLFCOOSVEPR-GJZGRUSLSA-N 348.447 1.873 0 40 EDAB C[C@]12CN(CC(=O)NC(N)=O)C[C@]1(C)CN(Cc1ccccc1)C2 585133686 QPNQXRDVMYQDIU-ROUUACIJSA-N 330.432 1.025 0 40 EDAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 6108209 SJKHVYBTNPKAPP-SFHVURJKSA-N 329.400 1.467 0 40 EDAB CC(C)N1CC[C@H](N2CCC(Oc3ncc(Cl)cn3)CC2)C1=O 1888834610 VPSVBKGYNXTRJI-AWEZNQCLSA-N 338.839 1.983 0 40 EDAB Cc1cnc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)nc1 1888854226 MMHLHNOIGAPKKY-TXEJJXNPSA-N 330.367 1.301 0 40 EDAB Cc1cc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)nc(C2CC2)n1 1888900979 RUAWNMYOKANROQ-OAHLLOKOSA-N 330.432 1.880 0 40 EDAB CC(=O)NCCNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 22756036 XEUGTIWGLUWEHZ-UHFFFAOYSA-N 338.770 1.839 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 8940714 RLUHPIGYFKIRLQ-NSHDSACASA-N 347.234 1.812 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 238832565 GGNHNYIYNSYMGC-DVOMOZLQSA-N 334.372 1.551 0 40 EDAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccn(C)c(=O)c1 30571528 IMVCKWFAJKWGQT-UHFFFAOYSA-N 336.395 1.902 0 40 EDAB O=C(c1cncnc1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037905581 JSXRWAUEQTUTKN-QGZVFWFLSA-N 331.347 1.662 0 40 EDAB CN(C)C(=O)c1nc2c(s1)CCN(C(=O)CCc1ccc[nH]1)CC2 1565554213 UHUWFPRWOQFPQI-UHFFFAOYSA-N 346.456 1.733 0 40 EDAB COCCn1cc2c(n1)[C@H](CNC(=O)C1CC(F)(F)C1)OCC2 1565549740 BBDAEFUJGWBAJH-LBPRGKRZSA-N 329.347 1.305 0 40 EDAB CC[C@H](C)NC(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4374576 ROWDKJOTGBKPTM-RYUDHWBXSA-N 335.404 1.907 0 40 EDAB O=C(O)CSc1nc(=O)c2cnn(-c3ccc(Cl)cc3)c2[nH]1 9691982 WMLHTZLONACGIP-UHFFFAOYSA-N 336.760 1.939 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2ccccc2OC)C1 2055772846 MUFRRPQJHGQVJW-GOSISDBHSA-N 328.416 1.629 0 40 EDAB CCOC(=O)c1ccc(NC(=O)CSc2nncc(O)n2)cc1 151647 UQROMXKGEDZNIR-UHFFFAOYSA-N 334.357 1.485 0 40 EDAB O=C(O)CCc1cc(S(=O)(=O)NCc2ccccc2)ccc1O 12376484 YLIVTFWNPKKFNE-UHFFFAOYSA-N 335.381 1.888 0 40 EDAB Cn1ncc(C(=O)NCC(C)(C)N2CCOCC2)c1-n1cccc1 40087803 ZOVCWOOXNPLDHW-UHFFFAOYSA-N 331.420 1.051 0 40 EDAB CCOc1ccc(N[C@H](C)C(=O)OC)cc1S(=O)(=O)N(C)C 40480294 GRTOEOCTHPMEIU-SNVBAGLBSA-N 330.406 1.309 0 40 EDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCn2c1nc1ccccc12 30660749 VTFUMRQFBOYYCY-UHFFFAOYSA-N 331.339 1.672 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)OCCCc1ccccc1 100293600 XUHJHQJVZPZRSK-LAQRGFTBSA-N 339.391 1.970 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)CC1 40481243 GTXNUNOBWRYVJA-UHFFFAOYSA-N 335.791 1.766 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 40462102 KANNDHJEYXOOQY-MRXNPFEDSA-N 335.835 2.000 0 40 EDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)[C@H]1CC(=O)N(Cc2ccco2)C1 40534795 LCZSUHRJCKJBFU-NUEKZKHPSA-N 331.416 1.371 0 40 EDAB CCCCn1nc(C(=O)N(CC)CC(=O)NC)c2ccccc2c1=O 40539448 KUHMCLNJHKBNBK-UHFFFAOYSA-N 344.415 1.405 0 40 EDAB C[C@H]1CN([C@@H](C)CNC(=O)Cc2noc3ccccc23)C[C@@H](C)O1 40512871 QYXGOVGUDQKPFM-MELADBBJSA-N 331.416 1.984 0 40 EDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H]1CCCO1 40540111 IGHDNFMKSHZFEE-LSDHHAIUSA-N 333.367 1.200 0 40 EDAB CCN1CCc2c(sc3c2c(NCCCOC)nc2nnnn23)C1 20533353 ZYEUFDZRDAHKIL-UHFFFAOYSA-N 347.448 1.560 0 40 EDAB C[C@@H](CNC(=O)c1ccc(O)nn1)N1CCN(c2ccccc2)CC1 32722414 VNLCFFOKDZMRIW-AWEZNQCLSA-N 341.415 1.123 0 40 EDAB O=C(CN1C(=O)CCOc2ccccc21)NCCc1ccccn1 21774645 FMHQDXXQCCNTKB-UHFFFAOYSA-N 325.368 1.556 0 40 EDAB CCC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 76019201 PAIRMTBWNNYRQZ-KZULUSFZSA-N 348.399 1.436 0 40 EDAB COc1ccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)cc1 33324529 QDVJCUWPKBULMZ-UHFFFAOYSA-N 336.351 1.953 0 40 EDAB COc1ccccc1OCC(=O)NCCC1CCN(C(C)=O)CC1 79070461 QEGAXEFTKMQBFY-UHFFFAOYSA-N 334.416 1.839 0 40 EDAB C[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1nnc2n1CCC2 41789350 WXLFXACIXTVWIG-LLVKDONJSA-N 328.372 1.415 0 40 EDAB CC(=O)Nc1cccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 6529002 IYTFPRYRFFRKJJ-UHFFFAOYSA-N 333.369 1.545 0 40 EDAB CCCCn1nnc(NC(=S)NC(=O)/C=C/c2ccccc2)n1 6890892 KLWIMCXEQSSVFL-MDZDMXLPSA-N 330.417 2.000 0 40 EDAB CCCCc1nnc(NC(=O)Cn2nnc3ccccc3c2=O)s1 22742776 BFRYLARJJNKYFL-UHFFFAOYSA-N 344.400 1.624 0 40 EDAB COCCOc1ccccc1C(=O)NCCC(=O)Nc1ccccn1 53809022 YELKBJOKTVNAKY-UHFFFAOYSA-N 343.383 1.865 0 40 EDAB COC(=O)Cc1c(C)[nH]c2nc(-c3ccc(Cl)cc3)nn2c1=O 100641675 BYPKZGVJHQJDFP-UHFFFAOYSA-N 332.747 1.762 0 40 EDAB Cc1ccsc1CN(C)C(=O)CN(C)c1ncnc2[nH]cnc12 47404471 VFPBYEXAVHNRAH-UHFFFAOYSA-N 330.417 1.818 0 40 EDAB C[C@@H]1CCCN(CCCNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 106072655 IYNCMLGHOCRVCQ-RBSFLKMASA-N 333.498 1.052 0 40 EDAB CCN1CCC[C@H]1CNC(=O)CCc1nc(-c2ccncc2)no1 55209356 VKKZALNZTVFWDJ-AWEZNQCLSA-N 329.404 1.665 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2Cc2ccccc2)C1 25359013 DTIIQDAZOBVYBK-IAGOWNOFSA-N 329.444 1.417 0 40 EDAB O=C(CCN1C(=O)CCC1=O)NCCOc1ccc2c(c1)CCC2 56008942 DEQPZMHKBNZVMP-UHFFFAOYSA-N 330.384 1.209 0 40 EDAB COc1cccc(OC)c1C(=O)OCC(=O)NC(=O)NC(C)(C)C 3297940 FLDZGWJPZVNJDF-UHFFFAOYSA-N 338.360 1.485 0 40 EDAB CS(=O)(=O)N[C@H]1CCOC2(CCN(Cc3ccsc3)CC2)C1 108525398 ZDXYCYMVMGFRRK-AWEZNQCLSA-N 344.502 1.811 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)Nc1cccnc1-n1cccn1 48194107 XUJBSWMTERODIN-CYBMUJFWSA-N 330.392 1.110 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccn(-c2ccc(F)cc2)n1 48152009 ZKNJFQWDAMGHJY-NSHDSACASA-N 337.376 1.176 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 48287902 SUUFNELEHITQPJ-ZDUSSCGKSA-N 346.456 1.494 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC2(CC1)OCCO2 26934017 BTIVOGGOAWDXHB-ZIAGYGMSSA-N 339.436 1.230 0 40 EDAB CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc(OCC(F)(F)F)cc1 27183107 ZMILJFQQPJNWFN-GFCCVEGCSA-N 347.337 1.937 0 40 EDAB CC(C)CNC(=O)CN1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 48234362 FKQSIQMMDKAYLK-AWEZNQCLSA-N 337.468 1.644 0 40 EDAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccccc1OC(F)F 10114263 LLTHCWDVBQWYCT-BXKDBHETSA-N 329.347 1.987 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H]1CN(C)CCO1 58156330 YXDZFRAFXOYAAG-HNNXBMFYSA-N 329.400 1.639 0 40 EDAB O=C(Cc1cccc(F)c1)NC[C@@H](O)COc1ccc2c(c1)OCO2 58171738 VAEGRMLMGHTFGD-CQSZACIVSA-N 347.342 1.653 0 40 EDAB C[C@@H](NC(=O)NCC(=O)NC1CCCCC1)c1nnc2ccccn12 58227460 NGPFPSUYDHAMLQ-GFCCVEGCSA-N 344.419 1.538 0 40 EDAB CC(=O)N1CCC(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)CC1 26646076 UMNFEHOBUXFJRA-UHFFFAOYSA-N 349.406 1.239 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O 22246821 QVXSKGGOWRQGSA-CQSZACIVSA-N 349.408 1.978 0 40 EDAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1CCCCCO 2140329 RCDWVMFOWRMSGY-KRWDZBQOSA-N 341.411 1.426 0 40 EDAB biogenic O=C(NCCOc1ccc2c(c1)OCO2)N[C@H]1CCN2CCCC[C@H]12 44971874 JRIIUIABUKIWDG-LSDHHAIUSA-N 347.415 1.720 0 40 EDAB Nc1nc(Cl)cc(NC[C@@H](O)CN2CCc3ccccc3C2)n1 44913867 REZFQUKILVPYIW-CYBMUJFWSA-N 333.823 1.543 0 40 EDAB Cn1ncc(C(=O)NCCCCN2CCOCC2)c1-n1cccc1 44952679 JZSMKCJYIUDQFZ-UHFFFAOYSA-N 331.420 1.053 0 40 EDAB COc1ccccc1CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 58343469 RMORYIPYLYLQDE-MRXNPFEDSA-N 345.443 1.178 0 40 EDAB Cn1cc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cn1 58328472 QEAUIBFPBNXOSJ-UHFFFAOYSA-N 331.395 1.316 0 40 EDAB CCS(=O)(=O)NCCNC(=O)[C@@H](C)Sc1ccc(OC)cc1 58365207 YVPAZKYPMHTETE-LLVKDONJSA-N 346.474 1.231 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)n1 27970344 KAXBCRHIWXTEDP-MRXNPFEDSA-N 347.440 1.465 0 40 EDAB C[C@@H]1CN(S(=O)(=O)NCCCOCc2ccccc2)C[C@@H](C)O1 58418574 YUIGPZGUDQCIKX-HUUCEWRRSA-N 342.461 1.537 0 40 EDAB C[C@H]1C[C@@H](C)CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 45310884 OOYGTTMXAXPWOO-TXEJJXNPSA-N 325.434 1.250 0 40 EDAB COc1cccc(CN(C)CCCN2C(=O)NC(C)(C)C2=O)c1OC 48374026 JHVLKUMKAVMKCJ-UHFFFAOYSA-N 349.431 1.856 0 40 EDAB COc1ccccc1[C@H](NC(=O)c1ccc(=O)[nH]c1)c1nccn1C 48325596 XLALWRYHVGUPFY-INIZCTEOSA-N 338.367 1.636 0 40 EDAB COc1cc(NC(=O)Cn2ccccc2=O)ccc1N1CCCC1=O 11446667 BATWAEXCEGTNKS-UHFFFAOYSA-N 341.367 1.622 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)c4ccsc4)CC3)ncnc21 29080849 LIZQKRPQVRRMET-UHFFFAOYSA-N 328.401 1.387 0 40 EDAB Cc1ccc2cc(C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)[nH]c2c1 29201520 RQJILXQVYQWDQY-CYBMUJFWSA-N 335.429 1.630 0 40 EDAB CCc1ccccc1NC(=O)CCn1cnc2c(cnn2C)c1=O 12894449 WKSSYMWMELBHQT-UHFFFAOYSA-N 325.372 1.721 0 40 EDAB Cn1nc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O 3597951 CZWRVEBDNZJFDF-UHFFFAOYSA-N 337.335 1.957 0 40 EDAB O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1cccc(Cl)c1F 64345288 CKORLRSZFFHKPI-QWRGUYRKSA-N 348.827 1.621 0 40 EDAB Cc1cc(N2CCO[C@H](c3ccc(C(=O)N(C)C)cn3)C2)ncn1 72388003 XVPUKQSSFUOVJJ-HNNXBMFYSA-N 327.388 1.460 0 40 EDAB COc1ccc(C(=O)N2CCN(c3ncccn3)CC2)c(OC)c1 6127301 CREJJIHQXZAVQY-UHFFFAOYSA-N 328.372 1.456 0 40 EDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NCc1cccs1 5182660 SKVZOGZOGZUTPQ-UHFFFAOYSA-N 343.364 1.458 0 40 EDAB O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 13985214 CGBMYGHEZNEDBR-UHFFFAOYSA-N 330.315 1.965 0 40 EDAB COC[C@@H](C)NC(=O)NCCCc1cc(N)n(-c2ccccc2)n1 65440817 FNNICTQODPDCSH-CYBMUJFWSA-N 331.420 1.721 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccn(-c3cccc(F)c3)n2)C[C@H](C)O1 65407551 YDPWFQGGTHPJFZ-KBPBESRZSA-N 346.406 1.850 0 40 EDAB COCCS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 65592404 WKEAZCLMFCFIHW-STQMWFEESA-N 341.429 1.356 0 40 EDAB O=C(NCc1ccc2c(c1)OCCO2)c1ccc(-n2cncn2)cc1 14117858 KZGZMNIRZXBJMC-UHFFFAOYSA-N 336.351 1.969 0 40 EDAB CCCn1c(SCCCn2c(=O)[nH]c3ccccc32)n[nH]c1=O 6547821 XQXJELLAIRSFRN-UHFFFAOYSA-N 333.417 1.807 0 40 EDAB CCN1C(=O)C[C@@H](N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O 4717544 QCGRCGYEOMSSBV-OAHLLOKOSA-N 342.399 1.114 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)NCCc1ccccn1 9218361 YEUCLGACTVOQOP-UHFFFAOYSA-N 327.384 1.569 0 40 EDAB CC(C)(C)N1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1=O 7451189 UAPTUGYYRIQSHC-OAHLLOKOSA-N 329.444 1.982 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 68021640 AHMJQPUCKRKEIJ-MJBXVCDLSA-N 349.431 1.694 0 40 EDAB CCCCN1CCC(NC(=O)C2(S(C)(=O)=O)CCCC2)CC1 68449950 NAAFKKRZFBMZPK-UHFFFAOYSA-N 330.494 1.725 0 40 EDAB COC(=O)[C@H]1CN(CC(=O)NC2CCCCC2)c2ccccc2O1 68759285 PFKLSOMPSGQLOM-MRXNPFEDSA-N 332.400 1.876 0 40 EDAB Cc1cnn([C@@H](C)[C@@H](C)NCC(=O)N2CC(=O)Nc3ccccc32)c1 72269817 CEQARNLLMYQZND-KGLIPLIRSA-N 341.415 1.716 0 40 EDAB C[C@@H](NC(=O)NC[C@H]1CCCO1)c1ccccc1NS(C)(=O)=O 69040199 KDJDVFSMFMGHCK-VXGBXAGGSA-N 341.433 1.597 0 40 EDAB O=C(NCCn1ccnc1)Nc1ccc(N2CCOCC2)c(F)c1 71795622 JSVVJPYLUQLXGJ-UHFFFAOYSA-N 333.367 1.681 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(c2ccccc2)CC1 71795976 WXUJZVLMHGVIKS-MAUKXSAKSA-N 343.471 1.978 0 40 EDAB CCSc1nnc(NC(=O)Cn2c(=O)cnc3ccccc32)s1 8230645 VKQUXKFVHBYMMP-UHFFFAOYSA-N 347.425 1.999 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@@H]1Cn1nc(C)cc1C 70011489 QWCMEYYKRMDSOS-SJORKVTESA-N 332.448 1.892 0 40 EDAB O=C(NCCNC(=O)[C@@H]1CCCO1)c1cccc(Br)c1 69372965 RFWUOXQFFBENQZ-LBPRGKRZSA-N 341.205 1.474 0 40 EDAB COc1ccc(-n2ccc(C(=O)NCC3CCN(C)CC3)n2)cc1 69348679 SBMPKWKSEDHTRU-UHFFFAOYSA-N 328.416 1.953 0 40 EDAB CCNC(=O)CN1CCN(C(=O)/C=C(\C)c2ccc(F)cc2)CC1 96400772 IWMIXETVPIPLSR-WYMLVPIESA-N 333.407 1.509 0 40 EDAB Cc1cc([C@@H](C)NC(=O)N2CCS(=O)(=O)CC2)cc(C)c1F 96440894 KWVBQOIEJFIRMZ-GFCCVEGCSA-N 328.409 1.944 0 40 EDAB NC(=O)[C@@H]1CCCN1Cc1csc(-c2ccc3c(c2)OCO3)n1 69441212 UTGGBUXARGVHNG-LBPRGKRZSA-N 331.397 1.989 0 40 EDAB CCN1CCN(C2CCN(CC(=O)N(C)Cc3ccco3)CC2)C1=O 69493036 KWAFLZVMNUPDAM-UHFFFAOYSA-N 348.447 1.460 0 40 EDAB CCS(=O)(=O)NCCNc1cc(-c2ccccc2)nc2ncnn12 69451296 WYLGJOGNMMSBBT-UHFFFAOYSA-N 346.416 1.143 0 40 EDAB CCN1CCN(C2CCN(CC(=O)NCc3ccco3)CC2)C1=O 69598071 YKTIHLDXKARTCN-UHFFFAOYSA-N 334.420 1.118 0 40 EDAB COc1nn(C)c2nc(C)c(CC/C(O)=N/S(C)(=O)=O)c(C)c12 69539706 PBKKHBBOKCHGNM-UHFFFAOYSA-N 340.405 1.442 0 40 EDAB COc1ccc(OC[C@@H](O)CN2CCCC[C@@H]2Cn2cncn2)cc1 69629782 LVIDYZYQVXNFBJ-CVEARBPZSA-N 346.431 1.581 0 40 EDAB CCOc1ccc(Cl)c(C(=O)N2CCN(C[C@@H](C)O)CC2)n1 69632350 XBBIOGNFEZHHJN-LLVKDONJSA-N 327.812 1.272 0 40 EDAB Cc1cc(CNC(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)no1 69708487 XKWCOTAOWZKMQN-CQSZACIVSA-N 346.406 1.949 0 40 EDAB Cc1nc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)O)cn1C 69705075 NAGHAZNLMCQZDB-UHFFFAOYSA-N 329.765 1.881 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)Cc2ccccc2OC(C)C)CC1 69775552 GLNWQNBWSHDLQT-KRWDZBQOSA-N 334.460 1.931 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCC(OCC(C)C)CC2)o1 69737339 DPYDCFRNIBQAFU-UHFFFAOYSA-N 345.417 1.892 0 40 EDAB c1cnnc(N2CCC[C@@H]2CNCc2nc(-c3ccoc3)no2)c1 71859943 RAPAHZYVFCMKLU-CYBMUJFWSA-N 326.360 1.878 0 40 EDAB Cc1cc(NC(=O)CN2CSCC2=O)ccc1C(=O)NC(C)C 71888895 ZNVFBYCGBMYKPY-UHFFFAOYSA-N 335.429 1.605 0 40 EDAB O=C(CSCCOc1cccc(F)c1)N[C@@H]1CCS(=O)(=O)C1 69843038 FWIFITOTYAUQMI-GFCCVEGCSA-N 347.433 1.241 0 40 EDAB C[C@@H]1CN(CC(=O)N(C)CC2CC2)CCN1C[C@H](O)c1ccccc1 69872709 JWDCQPPNTZCEGR-APWZRJJASA-N 345.487 1.595 0 40 EDAB Cc1ccc(CNC(=O)CN(C)CC2CCN(CCO)CC2)s1 69927501 VZAUQBKQUZTLEB-UHFFFAOYSA-N 339.505 1.309 0 40 EDAB O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCCC[C@H]1Cn1cccn1 69971856 GAAJLSUWFJRZHI-ZDUSSCGKSA-N 325.372 1.748 0 40 EDAB CC(C)c1nn(C)cc1C(=O)N1CCN(Cc2ccncc2)CC1 71818572 RIPMREGJMDBOEL-UHFFFAOYSA-N 327.432 1.897 0 40 EDAB Cc1nc(COc2ccc(NC(=O)CCN3CCCC3=O)cc2)no1 71888192 ADWJCJQASZFRBB-UHFFFAOYSA-N 344.371 1.908 0 40 EDAB C[C@H](Sc1nnnn1C1CCCC1)c1nc(N)nc(N(C)C)n1 8718474 HYYGAHOCPOPOBT-QMMMGPOBSA-N 335.441 1.475 0 40 EDAB CN(Cc1cccc(C(N)=O)c1)[C@@H]1CCCN(c2cccnn2)C1 72276667 JXAYBSSVOYVESY-MRXNPFEDSA-N 325.416 1.676 0 40 EDAB COC(=O)[C@H](CC(C)C)OC(=O)CCS(=O)(=O)C1CCCC1 71913713 VPYDBLFLJKLIRW-ZDUSSCGKSA-N 334.434 1.865 0 40 EDAB CCc1cnc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)s1 97115705 HGFOIABFDCYAPH-OAHLLOKOSA-N 345.468 1.855 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)N1CCN(C[C@H]2CCOC2)CC1 85296160 FKPYNEGMJAKIBP-CQSZACIVSA-N 342.436 1.477 0 40 EDAB c1ccc2c(c1)C[C@@H]2CNC1CCN(CCN2CCOCC2)CC1 95967675 RGJYMAYLYUYGQS-GOSISDBHSA-N 329.488 1.713 0 40 EDAB CS(=O)(=O)c1ccc(-c2noc(-c3cc(C(N)=O)cs3)n2)cc1 74452711 XOHWXWOGNIPUDM-UHFFFAOYSA-N 349.393 1.968 0 40 EDAB CCOc1ncccc1CNC(=O)NCc1c(C)cc(C)[nH]c1=O 75111116 KOTDHEJMEJIYIK-UHFFFAOYSA-N 330.388 1.785 0 40 EDAB O=C1NC[C@H](C(=O)N(Cc2cccc(Br)c2)C2CC2)N1 89774411 ICVGKSOBFPAPIZ-GFCCVEGCSA-N 338.205 1.622 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)C12CCC2 89985726 IQMDVCCCJZYEHP-ZIAGYGMSSA-N 348.447 1.235 0 40 EDAB CC(C)c1nc([C@H]2CCCN2CCn2nc3ccccn3c2=O)no1 75573277 GQYDOOVVEDABRL-CYBMUJFWSA-N 342.403 1.840 0 40 EDAB O=C(CN1CCC(O)CC1)Nc1ccccc1S(=O)(=O)C(F)F 22060644 LIVNHJZXGQYHTF-UHFFFAOYSA-N 348.371 1.078 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@@H]1C2 306135106 OHZIIQMCPVAGPQ-STQMWFEESA-N 329.404 1.314 0 40 EDAB Cn1cc([C@@H]2CSCCN2C(=O)NCCc2cscn2)cn1 189613286 QXXRPXVTJMETPS-ZDUSSCGKSA-N 337.474 1.919 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2c(C)cccc2C)s1 36182776 CCUXNIWAMDRIBC-UHFFFAOYSA-N 326.403 1.914 0 40 EDAB COC(=O)c1coc(CN(C2CC2)S(=O)(=O)c2cccnc2)c1 78979154 VQOZVEOBJCVFON-UHFFFAOYSA-N 336.369 1.815 0 40 EDAB C[C@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)NCc1cccnc1 61984067 MFDDXTFKNZXIRT-CYBMUJFWSA-N 338.367 1.851 0 40 EDAB COc1ccccc1N1CCN(CC(=O)Nc2ccccn2)CC1 34093385 DBPWHBFPTPHVLC-UHFFFAOYSA-N 326.400 1.851 0 40 EDAB in-vitro CCOC(=O)[C@H]1CCCN(C(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)C1 35982188 ZYYQVARWAOQZDL-RZAIGCCYSA-N 337.416 1.910 0 40 EDAB C[C@@H](CNC(=O)CCc1nc(-c2ccccn2)no1)Cn1cccn1 79085137 GYBVHAHZGAKYEQ-ZDUSSCGKSA-N 340.387 1.713 0 40 EDAB Cc1nc2c(N3CCN(Cc4ccccc4)CC3)nc(N)nc2n1C 72240961 LNCCNFPPKJGAJV-UHFFFAOYSA-N 337.431 1.576 0 40 EDAB COCC(=O)N1CCCC[C@@H]1c1ccnc(Nc2cncnc2)n1 72377813 OKJCVELPWBXQMY-CQSZACIVSA-N 328.376 1.710 0 40 EDAB CN1CCc2ccc(NC(=O)N3CC[C@H](CN4CCOCC4)C3)cc21 133414120 BCSMPNWGXZABSX-OAHLLOKOSA-N 344.459 1.865 0 40 EDAB COc1ccccc1CN1C(=O)CC[C@H]1C(=O)Nc1nncs1 223407081 QXZMDZVZOZQUBI-NSHDSACASA-N 332.385 1.676 0 40 EDAB CCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 224665234 JDXKZTFHGVYRST-UHFFFAOYSA-N 326.374 1.037 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2Cl)C1 44884204 NWOOPZCRDDBOSN-NSHDSACASA-N 345.852 1.797 0 40 EDAB CO[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[nH]1 574921566 FIFPALDCQYPVKN-ZIAGYGMSSA-N 329.404 1.149 0 40 EDAB CCCOC[C@@H]1C[C@@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 17440239 UVBVHSSYOFXGJL-ULKVUYOBSA-N 340.401 1.616 0 40 EDAB biogenic COc1ccc(-n2nnc(C(=O)N(CCO)C3CCCCC3)n2)cc1 75163452 ZENFMZMKQRSWQN-UHFFFAOYSA-N 345.403 1.438 0 40 EDAB Cc1nsc(N2CCN(CC(=O)NCc3ccc(F)cc3)CC2)n1 81576875 KSKGGKBVJMLSHP-UHFFFAOYSA-N 349.435 1.424 0 40 EDAB Cc1cc(C(F)(F)F)ccc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 191081030 KPSWNXPNKVYYDA-CYBMUJFWSA-N 341.333 1.156 0 40 EDAB O=S(=O)(c1cnc2ccsc2c1)N1CC[C@@H](c2nc[nH]n2)C1 573598868 MLYJYBVCCORXCE-SECBINFHSA-N 335.414 1.593 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccco1)Cc1ccccc1F 223738492 WBJUMLSUFPQOTR-UHFFFAOYSA-N 340.376 1.497 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCCN1CCCC1 96041625 LUYKBRMDZMJLFK-CGTJXYLNSA-N 347.459 1.510 0 40 EDAB CC(C)c1n[nH]c(NC(=O)CCCn2nnc3ccccc3c2=O)n1 95476562 HLGBJRIDJDGKIB-UHFFFAOYSA-N 341.375 1.452 0 40 EDAB CO[C@@H]1CCN(S(=O)(=O)C2CC2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 96108614 BGNFOPFBSJEFJJ-ARFHVFGLSA-N 340.445 1.293 0 40 EDAB COCCNc1ccnc([C@@H]2COCCN2C(=O)c2cccs2)n1 96217568 HOMZCSMCQJPXLG-LBPRGKRZSA-N 348.428 1.810 0 40 EDAB Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2ncc(F)cn2)cs1 96081316 HWSVGZTVHYNJCW-QWHCGFSZSA-N 333.392 1.760 0 40 EDAB CC(=O)N(C)c1ccc(S(=O)(=O)N2C[C@H](CO)CC[C@H]2C)cc1 95454441 YHRDWOOXKIJSCA-TZMCWYRMSA-N 340.445 1.451 0 40 EDAB COC[C@H]1CC2(CCN(S(=O)(=O)N(C)C)CC2)CN1C(C)C 96207619 BIHQQYNDTYTDCV-CQSZACIVSA-N 333.498 1.004 0 40 EDAB CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCCc2cnn(C)c2)C1 96420515 FSWVZFYIYGQYIM-INIZCTEOSA-N 349.479 1.547 0 40 EDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)cc2)C1)N1CCCO1 96057696 VKUMMFJNLVYYTG-USXIJHARSA-N 334.391 1.969 0 40 EDAB COCCNC(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 96414232 QOZIYSKGCQGDLS-UHFFFAOYSA-N 342.193 1.016 0 40 EDAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 96063680 VYGWZCGSAPQJOK-OKILXGFUSA-N 330.413 1.234 0 40 EDAB Cc1ccc(N2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)nn1 96224642 OSTBDCOXNSUDAU-KRWDZBQOSA-N 326.404 1.542 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)on1 583652013 WZLZFMPELJIYGP-GFCCVEGCSA-N 336.369 1.817 0 40 EDAB CC(=O)N1C[C@H](NC(=O)c2cn(C)nc2C)CC[C@@H]1C(F)(F)F 583618815 OMTVORDNCWUXKH-ZYHUDNBSSA-N 332.326 1.400 0 40 EDAB CCN1CCN(C(=O)NC[C@H]2CCCCO2)C[C@@H]1c1nccn1C 583615009 KTWVUZGQIJGMIE-HUUCEWRRSA-N 335.452 1.377 0 40 EDAB O=C(Nc1cccnc1)[C@H]1CN(C2CCOCC2)C[C@H]2OCC[C@H]21 96065596 KLZOJAFKPPCTJB-YESZJQIVSA-N 331.416 1.536 0 40 EDAB COc1ccc(C(=O)Nc2nnc(CCN3CCOCC3)s2)cc1 95116117 HKPAPVLUOOFWQR-UHFFFAOYSA-N 348.428 1.674 0 40 EDAB Cc1ccc(CN2Cc3ccnn3[C@H](C(=O)N3CCCCO3)C2)o1 248053006 BNYHENVFTZAAHC-INIZCTEOSA-N 330.388 1.895 0 40 EDAB Cc1ncoc1C(=O)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 248031182 LUKWUQIRRQRKFV-ZDUSSCGKSA-N 343.387 1.506 0 40 EDAB COCCN1C[C@H](COC)C2(CCN(C(=O)CC(C)C)CC2)C1 248259145 LYAWMDVZDQGVOH-MRXNPFEDSA-N 326.481 1.866 0 40 EDAB Cc1ncc(C(=O)N[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)c(C)n1 257287299 PPJDXWYDEKBIOL-BZUAXINKSA-N 328.372 1.189 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2ccc(COC)cc2)CCO1 257210878 BWMXDKYOAKNDBS-OAHLLOKOSA-N 342.399 1.878 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)s1 257327336 XAYUJNCWSLIBKV-KRWDZBQOSA-N 346.456 1.950 0 40 EDAB CC[C@H](CNC(=O)N1CC[C@](F)(CO)C1)N1CCc2ccccc2C1 252478087 ACVNEWDJWTXLKE-IEBWSBKVSA-N 349.450 1.939 0 40 EDAB O=C(Cn1ccc2ccccc21)N1CCC(N2C(=O)COC2=O)CC1 253402650 ONAPIGCQFUOJBO-UHFFFAOYSA-N 341.367 1.611 0 40 EDAB CC[C@@H](C)C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 585083498 WDXGKZYHTAUOTJ-CQSZACIVSA-N 345.443 1.719 0 40 EDAB O=C(c1c[nH]nc1-c1ccccn1)N1CCN([C@@H]2CCOC2)CC1 585084917 CKVWFBPKJFJIFX-CYBMUJFWSA-N 327.388 1.018 0 40 EDAB Cc1nn(C)c(F)c1S(=O)(=O)Nc1ccc2c(c1)OCCO2 252484363 FUUVPDRCDYXLKA-UHFFFAOYSA-N 327.337 1.440 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)c3cncnc3)CCN2C(C)=O)cc1 257234251 GSUANBYHAVQAEV-KRWDZBQOSA-N 340.383 1.531 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N2CCC[C@](O)(CN(C)C)C2)c1 585137917 AEHDOTCCJPXFSK-HNNXBMFYSA-N 330.425 1.211 0 40 EDAB COc1cncc(N2CCN(Cc3ncnn3CC(C)C)CC2)c1 585133214 AWKHSLCLUVPBAD-UHFFFAOYSA-N 330.436 1.660 0 40 EDAB O=S(=O)(CCOCC1CC1)Nc1cc(-c2nn[nH]n2)ccc1F 585128856 PHQTVZUABONVFX-UHFFFAOYSA-N 341.368 1.174 0 40 EDAB CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2CCC(N)=O 257269650 MQUDWUSBVJRZCJ-LNLFQRSKSA-N 329.444 1.731 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 257311125 UICHPLYPHAECFT-HNNXBMFYSA-N 339.399 1.951 0 40 EDAB CNc1cnc(C[C@H]2CCCN(C(=O)c3cnccn3)CC2)cn1 257278565 OCTINAUOWNWPLD-ZDUSSCGKSA-N 326.404 1.793 0 40 EDAB O=C(NC[C@@H]1CCCN(C(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)C1)[C@H]1CCCN1 252571306 XSECAKJIEAHCMZ-OVYBAWALSA-N 345.487 1.385 0 40 EDAB CCCn1ccc(C(=O)N2CCO[C@H](c3nc(C)cc(O)n3)C2)n1 257228277 FTGIUOVTRQLKGY-ZDUSSCGKSA-N 331.376 1.311 0 40 EDAB Cc1ncsc1-c1ccc(C(=O)N2CCC(C(N)=O)CC2)cn1 257334574 YGMQVRGPFSYBST-UHFFFAOYSA-N 330.413 1.851 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@]2(CC(=O)O)CCOC2)c(F)cc1F 1600297687 XCCDWZVUMPNZGI-CYBMUJFWSA-N 335.328 1.185 0 40 EDAB COC[C@H](C)CNC(=O)N1CCN(c2ccc(F)c(OC)c2)CC1 252501063 UBZDIPCAUHXOIN-CYBMUJFWSA-N 339.411 1.948 0 40 EDAB Cc1cc(NC(=O)CN2CCN(c3cncc(F)c3)CC2)n(C)n1 270936222 QWORKFQMWFCXCX-UHFFFAOYSA-N 332.383 1.023 0 40 EDAB Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCCC[C@@H](C)C1 278244107 LUTYEGGQXRYLSK-GFCCVEGCSA-N 339.461 1.974 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)N1CC[C@H](C(=O)O)C(F)(F)C1 289698491 MEALLWWQDHWPRD-SECBINFHSA-N 337.319 1.865 0 40 EDAB C[C@@H](N[C@H](C(N)=O)c1ccccc1)C(=O)N1CCc2sccc2C1 1615588085 BZROAJGQNKKRJG-WBMJQRKESA-N 343.452 1.838 0 40 EDAB C[C@@H]1CCC[C@@]1(NS(=O)(=O)c1ccc(C(=O)O)cc1)C(=O)O 1615588035 NLQSKWGUPQDBIZ-OTYXRUKQSA-N 327.358 1.307 0 40 EDAB CCO/C=C/[C@@](O)(CNC(=O)NCCC1CC(O)C1)C(F)(F)F 1615587011 AEPWIULERVTIGO-IJHMDFEKSA-N 340.342 1.290 0 40 EDAB COC(=O)c1cc(NC(=O)COCc2ccc(OC)cc2)n(C)n1 1616032495 PFXHOZQEQOUORF-UHFFFAOYSA-N 333.344 1.371 0 40 EDAB COc1ccc(S(=O)(=O)N2Cc3cncnc3C2)cc1Cl 96098287 XIXFYVKLPJMKIK-UHFFFAOYSA-N 325.777 1.843 0 40 EDAB CNC(=O)CC[C@]1(O)CCCN(C(=O)CCOc2ccccc2)C1 585278097 LPAYTCFFHMGYQM-GOSISDBHSA-N 334.416 1.335 0 40 EDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccccc1C)[C@@H]2C 585096865 DUYAWELFFQHLCH-GFCCVEGCSA-N 336.417 1.498 0 40 EDAB Cc1ccc(CN2Cc3ccnn3CC[C@H]2CNS(C)(=O)=O)o1 585098622 ZSAZSUXOVYCLJZ-ZDUSSCGKSA-N 338.433 1.108 0 40 EDAB O=C1[C@@H]2CN(C(=O)C3(F)CCC3)C[C@@H]2CCN1Cc1cccnc1 585107818 CIPWIQKNUYCERJ-LSDHHAIUSA-N 331.391 1.781 0 40 EDAB Cc1ccc(OC[C@@]2(O)CCN(C(=O)CCc3cnn(C)c3)C2)cc1 585272720 PYNYRKMBSQJULR-LJQANCHMSA-N 343.427 1.704 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccco2)o1 678614824 CWJHNNDKTMOWBD-ZDUSSCGKSA-N 338.385 1.651 0 40 EDAB COc1cccc(N2CCN(CC(=O)Nc3cc(C)no3)CC2)c1 30964245 MSQJLVCPTCHFNE-UHFFFAOYSA-N 330.388 1.752 0 40 EDAB C[C@H]1Oc2c(cccc2C(=O)NCCCCn2ccnc2)NC1=O 69811990 XGFABLINOSSFSU-GFCCVEGCSA-N 328.372 1.813 0 40 EDAB COC(=O)C1CCN(C(=O)COc2cccc(-n3ccnc3)c2)CC1 72296215 WJAFARPSMWRQDQ-UHFFFAOYSA-N 343.383 1.663 0 40 EDAB Cc1nc(CN2CCN(C(=O)NCc3ccccn3)CC2)cs1 48264373 CGHMEMHXOVGFCP-UHFFFAOYSA-N 331.445 1.874 0 40 EDAB COc1ccc(CCNC(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1 1565522470 IPPUOULPXYWJOS-QGZVFWFLSA-N 347.459 1.744 0 40 EDAB O=C(CN[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)N1CCCC1 75132884 INRLLVWWJKKSLG-CQSZACIVSA-N 333.436 1.123 0 40 EDAB O=C(NCc1nc(-c2ccccc2)no1)c1cc2c([nH]c1=O)CCC2 89851367 JKEAMSWBTHYATN-UHFFFAOYSA-N 336.351 1.844 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C[C@H](c2ccccc2)O1 106830939 AQWNOZUABOWUTI-UKPHBRMFSA-N 328.412 1.986 0 40 EDAB Cc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)ccn1 79361864 KVVNONAIMUYMPD-HOCLYGCPSA-N 327.388 1.672 0 40 EDAB COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 5346211 SERBKHMCMANHJS-LLVKDONJSA-N 336.413 1.744 0 40 EDAB O=C(Cn1cnc2ccccc21)NCCc1nc(-c2cccnc2)n[nH]1 12115818 IWQWMTVOSNTSBC-UHFFFAOYSA-N 347.382 1.575 0 40 EDAB Cn1c2ccccc2n2c(=O)n(CC(=O)NCCc3ccccc3)nc12 12117773 UHLDYKFYRHLKRH-UHFFFAOYSA-N 349.394 1.347 0 40 EDAB CONC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 12525948 JPAQVUIHRUWNEB-UHFFFAOYSA-N 336.369 1.787 0 40 EDAB C[C@@H](C(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1)N1CCOCC1 19078413 VNSFDOHQQXRYGE-HOCLYGCPSA-N 342.443 1.990 0 40 EDAB Cc1nnc2sc(SCC(=O)NC3CCCCC3)nn2c1=O 12140294 OGOUMYKBGZEHAJ-UHFFFAOYSA-N 339.446 1.395 0 40 EDAB O=C1CC[C@@H](N2CCN(c3ncnc4ccsc34)CC2)CCN1 572108614 KOXPAICIXBRKJA-GFCCVEGCSA-N 331.445 1.482 0 40 EDAB COCCn1ccc(C(=O)N[C@@H]2CC[C@H](C(F)(F)F)N(C)C2)n1 583619694 IXMMNUGZLDFITG-ZYHUDNBSSA-N 334.342 1.284 0 40 EDAB O=C(NCCN1CCOCC1)N1CCCO[C@H](c2ccccc2)C1 591824154 TWZCUMHEVVCJDU-KRWDZBQOSA-N 333.432 1.492 0 40 EDAB O=C([C@@H]1CCOC1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390832152 XRDZDXCCXNCXDE-IUODEOHRSA-N 341.404 1.550 0 40 EDAB CC(=O)N1CCN(C(=O)CSc2nc(C)nc3ccccc23)CC1 3423442 ONWMVOAETNHQQU-UHFFFAOYSA-N 344.440 1.721 0 40 EDAB CCS(=O)(=O)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888854649 NDLKZZUBPOJIKW-BXUZGUMPSA-N 329.397 1.446 0 40 EDAB O=C([C@H]1CN(c2ncnc3ccccc23)CCO1)N1CCSCC1 1889130569 PDZAIVZRZXFGGV-OAHLLOKOSA-N 344.440 1.410 0 40 EDAB COc1ccc(C(=O)N2CCCN([C@H]3CCOC3)CC2)cc1OC 1848956940 IZVVOZBGCKLNRF-HNNXBMFYSA-N 334.416 1.641 0 40 EDAB CCOCC(=O)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1849075329 XJKKIZDQAXMAAR-UHFFFAOYSA-N 347.390 1.811 0 40 EDAB Cc1noc(CN2CCN(c3nccc(-c4cccnc4)n3)CC2)n1 2086988606 VTPZSNDSNKHCLT-UHFFFAOYSA-N 337.387 1.552 0 40 EDAB O=C(NC1CC1)C1=NOC2(CCN(C(=O)C3CC(F)(F)C3)CC2)C1 1565546992 LGIIGFXOUUXVAB-UHFFFAOYSA-N 341.358 1.448 0 40 EDAB CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)[C@H]1CCOC1)C2 1565551720 JUJDNEIABWVVJJ-AWEZNQCLSA-N 348.447 1.175 0 40 EDAB O=C(C1CC(O)C1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 1565547547 KGPXEHHPOPCZRL-UHFFFAOYSA-N 345.443 1.046 0 40 EDAB CCc1ccc(C(=O)NCc2cnc3n2C[C@@H](C(=O)NC)CC3)cn1 1565556772 UXODFWUWSPWFHJ-ZDUSSCGKSA-N 341.415 1.079 0 40 EDAB CCOc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1 3912958 PUSWEMLJKZDTFS-UHFFFAOYSA-N 339.394 1.983 0 40 EDAB CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1 4505249 XGNNTSVNXYKQEX-NSHDSACASA-N 337.488 1.726 0 40 EDAB COc1ccc(CNC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 5352658 FEFRDSWIWUYDIO-OAHLLOKOSA-N 348.399 1.113 0 40 EDAB COc1ccc(S(=O)(=O)CC(=O)Nc2onc3c2CCC3)cc1 8976494 DXZHYTJFCNDVJS-UHFFFAOYSA-N 336.369 1.584 0 40 EDAB CC(C)CNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713636 PXJSNJPOAIJARD-AWEZNQCLSA-N 332.448 1.844 0 40 EDAB O=C(CN1CC(c2nc(-c3cnccn3)no2)C1)Nc1nccs1 49485788 LWYBIORITSYZGP-UHFFFAOYSA-N 343.372 1.021 0 40 EDAB O=C(NCc1cccnc1)c1c(O)n2c3c(cccc3c1=O)CCC2 6534125 PHQICDSJUSNRBU-UHFFFAOYSA-N 335.363 1.978 0 40 EDAB CCOc1ccc([C@@H]2NC(=O)c3ccccc3N2CC(N)=O)cc1 24988326 IRQQXYPYGCMDJH-QGZVFWFLSA-N 325.368 1.819 0 40 EDAB O=C(NC1CCN(C(=O)Cc2noc3ccccc23)CC1)C1CC1 40090970 YWZRPZXSALCLBR-UHFFFAOYSA-N 327.384 1.888 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2cnccn2)C1 40497539 DGZORYPKHHQJSH-AWEZNQCLSA-N 340.383 1.738 0 40 EDAB CCN(Cc1ccccc1C)C(=O)c1cc(S(=O)(=O)NC)cn1C 40498899 QLNKRKBPHIIIDQ-UHFFFAOYSA-N 349.456 1.904 0 40 EDAB CCNC(=O)CN(C)S(=O)(=O)c1cc(Br)ccc1C 40554310 NXYJCDFITPJYCS-UHFFFAOYSA-N 349.250 1.514 0 40 EDAB COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCS(=O)(=O)C2)cc1OC 40535605 XSBKEUAHFONGGT-RYUDHWBXSA-N 341.429 1.624 0 40 EDAB Cc1cc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)ccc1N1CCCC1=O 40555671 VHCQRZHPGHRRQN-WFASDCNBSA-N 348.424 1.272 0 40 EDAB CCOC(=O)N1CCC(NC(=O)Cc2cn3ccccc3n2)CC1 32084075 ROBNRGGSKSJJJT-UHFFFAOYSA-N 330.388 1.614 0 40 EDAB COCCCNc1c(N2CCN(Cc3ccccc3)CC2)c(=O)c1=O 101698084 RFJLBMKKBPZBSB-UHFFFAOYSA-N 343.427 1.053 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ncccc2O)cc1 32721939 UWVZVMMMVARMPM-UHFFFAOYSA-N 335.385 1.355 0 40 EDAB CC(=O)N[C@@H](C)CCc1ccc(C(=O)CSc2nnnn2C)cc1 32778339 OELVMCRBRZDENP-NSHDSACASA-N 347.444 1.642 0 40 EDAB O=C(NCCc1ccc(F)cc1)N1CCN(CCN2CCCC2)CC1 32754922 VGPXDSOGVLVDQK-UHFFFAOYSA-N 348.466 1.791 0 40 EDAB CN(C)c1nc(C[S@@](=O)Cc2noc(C(C)(C)C)n2)ns1 97080214 QXDCWJITEZXILP-OAQYLSRUSA-N 329.451 1.734 0 40 EDAB Cn1nnc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)n1 530079 WFTWEBBMURJVDV-UHFFFAOYSA-N 331.188 1.644 0 40 EDAB O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H]1COCCO1 61287937 JIHRVAHYKWVWKV-MRXNPFEDSA-N 336.457 1.632 0 40 EDAB COc1ccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1F 41618546 VDBPIQCHZBZPNF-NSHDSACASA-N 344.408 1.236 0 40 EDAB O=C(NCCCN1CCOCC1)c1ccc(N2CCCCC2=O)cc1 53274423 WIROVNUYXLDZBE-UHFFFAOYSA-N 345.443 1.656 0 40 EDAB CCc1ccc([C@H]2CCCN2S(=O)(=O)NCc2noc(C)n2)o1 78881060 QKYNEQRTPVDNPL-GFCCVEGCSA-N 340.405 1.705 0 40 EDAB Cc1ccccc1NC(=O)COC(=O)CNC(=O)c1ccccc1 1972451 IKWZCTNJIKLPRJ-UHFFFAOYSA-N 326.352 1.907 0 40 EDAB CCNc1nc(Oc2ccc(OCC)nn2)nc(N2CCOCC2)n1 3644976 OSEVCTCANJSURI-UHFFFAOYSA-N 347.379 1.121 0 40 EDAB C[C@@H](NC(=O)NC(=O)CSc1nnc(N)[nH]1)[C@H]1C[C@H]2CC[C@H]1C2 104001512 BKCOMEGOSLSWHJ-XFWSIPNHSA-N 338.437 1.130 0 40 EDAB CCOC(=O)[C@@H]1C(=O)Nc2nc(N)nc(O)c2[C@H]1c1ccccc1 4945501 VIFQPTFOAGUUAQ-KOLCDFICSA-N 328.328 1.028 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 6224567 CLOBCEQTIQHMIN-VHSXEESVSA-N 348.852 1.930 0 40 EDAB Cn1nccc1CN1CCC2(CC1)CC(NC(=O)c1cnccn1)C2 108526535 CIEULANYFRHVQP-UHFFFAOYSA-N 340.431 1.385 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)Nc1cccnc1-n1cccn1 23171434 CTYUEIMMZTYQFG-UHFFFAOYSA-N 349.350 1.631 0 40 EDAB O=C(N[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1ccncc1F)c1ccno1 107262815 BOPBAXOHFFDFED-OASPWFOLSA-N 330.319 1.384 0 40 EDAB CN1CCN(C(C)(C)CNC(=O)c2ccc(-n3cncn3)cc2)CC1 42543707 NDQPTMMGBKDICX-UHFFFAOYSA-N 342.447 1.023 0 40 EDAB O[C@H](COC[C@H]1CCCO1)CN1CCN(c2ccc(F)cc2)CC1 23624368 VNJZFNLEGRFFSN-ZWKOTPCHSA-N 338.423 1.504 0 40 EDAB O=C(c1ccc(-n2ccnc2)cc1)N1CCN(c2ncccn2)CC1 24049481 VOSSXNPYKJNXDZ-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB NC1(CO)CCN(c2ccc(C(=O)Nc3ccccc3)nn2)CC1 72291256 USWPPAQJXAHPKR-UHFFFAOYSA-N 327.388 1.019 0 40 EDAB CNC(=O)C1CCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 24980628 KUSFGWQJHLSFOG-GFCCVEGCSA-N 337.851 1.803 0 40 EDAB CCOc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCOC)C3)cc1 9317326 XMKXKUYKHCJLOR-HNNXBMFYSA-N 331.372 1.182 0 40 EDAB Cc1nccn1-c1cc(CNS(=O)(=O)N2CCCCC2)ccn1 56065843 CUCVRDGDMXNXFE-UHFFFAOYSA-N 335.433 1.396 0 40 EDAB C[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)COCc2ccco2)C1=O 25866571 ISQOLKQNSAQLJU-KBXCAEBGSA-N 344.367 1.624 0 40 EDAB Cc1nccn1-c1ncccc1NC(=O)Cn1nc2ccccn2c1=O 57222455 WMTGOZGYHHMTII-UHFFFAOYSA-N 349.354 1.024 0 40 EDAB CC(=O)N(C)c1ccc(S(=O)(=O)N[C@@H](C)c2noc(C)n2)cc1 97229152 JSHZBTXVFOJNNF-VIFPVBQESA-N 338.389 1.400 0 40 EDAB Cc1ccnc2nc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)nn12 26937270 RDUDUHOBMSVOGN-HNNXBMFYSA-N 336.399 1.562 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)n(C)c1 27064166 OKFZKGATNKMTKN-UHFFFAOYSA-N 335.385 1.388 0 40 EDAB CCN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 35720495 AMVGOMHHEHTLRD-UHFFFAOYSA-N 333.251 1.775 0 40 EDAB COc1ccc([C@H]2SCC(=O)N2Nc2nc(C)cc(=O)[nH]2)cc1 27526247 FLMQBXQMQKLIQW-CQSZACIVSA-N 332.385 1.688 0 40 EDAB COc1cccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 58148754 CDRFBFVCHVYWJS-GFCCVEGCSA-N 327.406 1.241 0 40 EDAB CC1CCN([C@H](C)CNC(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 58172212 JHZFNQJQQWIFBV-SJORKVTESA-N 345.491 1.930 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(c2cnccn2)CC1 27628198 JUDZBAQQMVYNBA-HNNXBMFYSA-N 337.427 1.576 0 40 EDAB CCOC(=O)c1ccc(N2CCN(Cn3cc(Cl)cn3)CC2)nc1 58267517 VUHWDHTZZZQTDI-UHFFFAOYSA-N 349.822 1.888 0 40 EDAB O=C(CCNC(=O)c1c[nH]c2ccccc12)N[C@H]1CCCCNC1=O 48103357 VYLOLCLYKLTBIZ-HNNXBMFYSA-N 342.399 1.073 0 40 EDAB CNC(=O)[C@@H](C)NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 48272130 WSKIDVCATFFNBM-SECBINFHSA-N 328.328 1.656 0 40 EDAB c1ccc(-n2nnnc2CN(C[C@H]2CCCO2)C[C@H]2CCCO2)cc1 44949107 ZBBZZFVASXYTLV-IAGOWNOFSA-N 343.431 1.822 0 40 EDAB CCN1CC[C@@H](CNC(=O)NCc2ccccc2Cn2cncn2)C1 44968693 GQPCTYMQYFNYAY-HNNXBMFYSA-N 342.447 1.467 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 44916447 BYAVOYAMAQAKSH-KGLIPLIRSA-N 327.384 1.771 0 40 EDAB O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC(O)CC1 44970563 ADIOZBFSRWTOMY-UHFFFAOYSA-N 333.219 1.967 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccncc2)cc1 44910853 RGSHPAGEKPFFJL-LBPRGKRZSA-N 348.428 1.550 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 44970311 LHTYARLFWNSRKX-ZIAGYGMSSA-N 329.404 1.969 0 40 EDAB COc1c(CNC[C@@]2(N3CCOCC3)CCSC2)c(C)nn1C 58300224 ZLNXRAPKSANEJN-INIZCTEOSA-N 340.493 1.035 0 40 EDAB CCn1ccc(=O)nc1SCC(=O)NCc1ccccc1OC 58331590 YXXAXRSQHKWEQW-UHFFFAOYSA-N 333.413 1.680 0 40 EDAB COCCN1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 58404983 WNWNCYGSALLCHQ-HNNXBMFYSA-N 326.462 1.632 0 40 EDAB Cc1csc(NC(=O)CCNS(=O)(=O)c2ccccc2)n1 10554257 ORFOKZPPLVGUQZ-UHFFFAOYSA-N 325.415 1.759 0 40 EDAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)NC(=O)[C@@H]32)cc1 100849216 IXXCHZGVZACCTI-BBBLOLIVSA-N 348.405 1.324 0 40 EDAB C1CCc2nnc([C@@H]3CCCN(Cc4nnnn4C4CC4)C3)n2CC1 58918569 BSFGTQUIMFNLIO-CYBMUJFWSA-N 342.451 1.706 0 40 EDAB CCN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(C)(=O)=O 113945144 YJEBRZRYQMPMRV-UHFFFAOYSA-N 339.461 1.297 0 40 EDAB NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 2635232 CZJBIAMTAMULQO-HNNXBMFYSA-N 326.352 1.056 0 40 EDAB Cc1ccc2c(CSc3nnc(C)c(=O)n3N)cc(=O)oc2c1 3300437 WLKCKRCCUURXAW-UHFFFAOYSA-N 330.369 1.368 0 40 EDAB O=C(COC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1 3548301 KSOUUNXCYOFFMC-UHFFFAOYSA-N 326.287 1.841 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCCCCC1 3594784 UKBCGNBYEQWJNB-IBGZPJMESA-N 341.411 1.783 0 40 EDAB O=C(CNc1nc(Cl)nc2[nH]cnc12)Nc1ccc2c(c1)OCO2 8991077 HZIONMPBEBJDIY-UHFFFAOYSA-N 346.734 1.786 0 40 EDAB COc1ccc(NC(=O)C[S@](=O)Cc2cccc(C(N)=O)c2)cc1 83947552 PHUCWDAYIVTOMM-DEOSSOPVSA-N 346.408 1.682 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@H]1CCC(=O)NC1)O[C@H](C)C2 65440941 NDXLDKKCEJBFOJ-NEPJUHHUSA-N 332.400 1.551 0 40 EDAB O=C(C1CCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 6376048 DVSJUNTUVLWESQ-UHFFFAOYSA-N 326.393 1.459 0 40 EDAB Cc1nnc([C@@H](C)N2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)o1 84291313 VGLKLTIDXRCFNM-RISCZKNCSA-N 345.451 1.651 0 40 EDAB CN(Cc1csnn1)[C@H](C(N)=O)c1cccc(Br)c1 97162294 ALZFVHCSTBTCAJ-NSHDSACASA-N 341.234 1.959 0 40 EDAB CC[C@H]1CCCCN1C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649281 UNWRSHCIFJEHET-LBPRGKRZSA-N 343.383 1.871 0 40 EDAB COCCn1nc(C(=O)NCc2nccc3ccccc23)ccc1=O 71417062 MLOHRBDHSFSOCM-UHFFFAOYSA-N 338.367 1.368 0 40 EDAB CC(C)[C@H](O)CNC(=O)CNC(=O)c1ccc(Br)cc1 97162586 XHUXNMFBEDANMM-GFCCVEGCSA-N 343.221 1.312 0 40 EDAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O 15399198 QCFPUWBIYKWRQL-HNNXBMFYSA-N 325.315 1.256 0 40 EDAB Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ncc(C)s2)on1 68339789 AZUPCMSRQJWNLP-SECBINFHSA-N 338.414 1.902 0 40 EDAB CC[C@H]1CN(c2ccnc(C(=O)NCc3ccccn3)c2)CCN1 71758798 GKQYBDDYAOPIIM-AWEZNQCLSA-N 325.416 1.595 0 40 EDAB CCNC(=O)CN[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 96427598 UNWMOZARDKGTEI-GOSISDBHSA-N 346.452 1.905 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)COCCOc1ccccc1)C2 70015964 JUHYYHIBDGHSLK-UHFFFAOYSA-N 344.415 1.839 0 40 EDAB CCOC(=O)[C@@H](OC(=O)/C=C/c1c(C)nn(C)c1C)[C@@H]1CCOC1 70039353 UHWXGYRDKUCTGH-BLRPHBDSSA-N 336.388 1.562 0 40 EDAB CCCCNC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 8389721 PQVMLYNCGDSZAD-QGZVFWFLSA-N 331.372 1.133 0 40 EDAB OCCN1CCC(CNCc2ccc(-n3cncn3)c(F)c2)CC1 69414665 QSWUXCQNULCSEK-UHFFFAOYSA-N 333.411 1.200 0 40 EDAB CCN(CC)c1ccc(C(=O)n2nc(C(F)(F)F)nc2N)cn1 69454738 DFSNSHCYVLBSSS-UHFFFAOYSA-N 328.298 1.809 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 69490097 BPMSZMXNHINQKV-OIISXLGYSA-N 345.443 1.713 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cccc(-n3ccc(C)n3)c1)C2 69592549 DBFCLKCTUKGSID-UHFFFAOYSA-N 336.399 1.991 0 40 EDAB Cc1nnc2n1CCN(CC(=O)NCC1(c3ccccc3)CC1)C2 69516511 GHYYIHZXAARRFH-UHFFFAOYSA-N 325.416 1.250 0 40 EDAB Cn1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1=O 91766094 UFMLUQLMUNUVLU-WFASDCNBSA-N 334.322 1.612 0 40 EDAB Cc1ccccc1[C@@H]1CCCN1C(=O)CN1CCS(=O)(=O)CC1 71819353 VGCNBDXQCBIUTN-INIZCTEOSA-N 336.457 1.389 0 40 EDAB O=C(CNc1cc(F)ccc1OC[C@@H]1CCCO1)N1CCOCC1 69704745 XCYZVFRUEOAARW-AWEZNQCLSA-N 338.379 1.654 0 40 EDAB CN(c1cccnn1)C1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 69744763 YKCHGLJKJAXXRO-KRWDZBQOSA-N 338.411 1.908 0 40 EDAB CCNC(=O)N1CCN(C(=O)CCc2cc(F)ccc2F)CC1 69703024 NTPDDEHOVYSZAP-UHFFFAOYSA-N 325.359 1.771 0 40 EDAB CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)c2ccncc2)CC1=O 69895661 KHZAIQIJSDVYSK-USXIJHARSA-N 344.459 1.592 0 40 EDAB CCOc1ncccc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 69893450 IWWMYGQOTIEGIL-LBPRGKRZSA-N 341.433 1.024 0 40 EDAB C[C@H](O)CN1CCN(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 69921988 TUEQMTCWHNWUDR-SWLSCSKDSA-N 348.365 1.617 0 40 EDAB CCO[C@H]1C[C@@H](N(C)C(=O)CN(C)S(C)(=O)=O)C12CCCC2 71920776 NJFRPMHHCXWWKN-OLZOCXBDSA-N 332.466 1.074 0 40 EDAB O=c1[nH]c2ccccc2n1C1CCN(c2nccn3cnnc23)CC1 71913853 WNKKVRMDGWLQLF-UHFFFAOYSA-N 335.371 1.609 0 40 EDAB OC[C@@H]1CCCN1c1cc(N2CCC(n3cccn3)CC2)ncn1 84615219 BEYRXIMPEUNOPL-HNNXBMFYSA-N 328.420 1.476 0 40 EDAB Cc1ccsc1CN(C)C(=O)c1ccc(CNS(C)(=O)=O)o1 84737882 GDSGARQXYUCOQO-UHFFFAOYSA-N 342.442 1.971 0 40 EDAB CCc1c(C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)[nH]c(C)c1C(C)=O 75137894 GSSREXCFGOAZJZ-JTQLQIEISA-N 342.461 1.983 0 40 EDAB C[C@@H](NC(=O)Cn1ccccc1=O)c1ccc2c(c1)NC(=O)CO2 89905102 KKTJPCMBVZHLDF-LLVKDONJSA-N 327.340 1.057 0 40 EDAB CCN(C(=O)Cc1cc(C)[nH]n1)[C@H]1CCN(c2ccccc2)C1=O 89960923 CIALLBHBGWIDHZ-INIZCTEOSA-N 326.400 1.915 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 75606512 YUKNHROLGMXYMC-IRXDYDNUSA-N 332.444 1.604 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 408597643 VRGQUNDESAZVBN-GFCCVEGCSA-N 341.433 1.628 0 40 EDAB Cc1cccc(C)c1NC(=O)[C@@H](C)SCc1nc(N)nc(N)n1 9335574 GSMSSAGIVCMHFO-SNVBAGLBSA-N 332.433 1.913 0 40 EDAB CCOCCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230730 OOZYKPTZRRJHOK-UHFFFAOYSA-N 344.433 1.004 0 40 EDAB Nc1ccc(NCCc2ccc(S(N)(=O)=O)cc2)c(C(=O)O)c1 408712752 NIRBIYOLFQUAOJ-UHFFFAOYSA-N 335.385 1.269 0 40 EDAB CCCC(=O)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 306139827 UBRXMKRRNIKOPB-ZDUSSCGKSA-N 338.429 1.276 0 40 EDAB CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38728968 GDCHVMGNQXZJST-CABCVRRESA-N 330.384 1.024 0 40 EDAB Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCOC3)C2)c2ccccc2n1 1000045622 ODDJJIDXABKQAX-CYBMUJFWSA-N 339.395 1.520 0 40 EDAB COCCNC(=O)[C@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 35313272 SXYFACBFLKBCRM-VIFPVBQESA-N 331.401 1.749 0 40 EDAB CC(C)[C@H](N)C(=O)N[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79393247 UGTVQOVFSHGLIE-HOTGVXAUSA-N 333.432 1.887 0 40 EDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)CCc1ccccc1 71980162 DZTXWHRXIYQWNH-MRXNPFEDSA-N 346.427 1.743 0 40 EDAB CC(C)N(C(=O)CN)C1CCN(C(=O)OCc2ccccc2)CC1 79392958 RNTZUMXKJRIFER-UHFFFAOYSA-N 333.432 1.983 0 40 EDAB COc1ccccc1OC[C@@H](O)CN1CCN(c2ccccn2)CC1 71281500 JPLHVRKEJRIYMT-INIZCTEOSA-N 343.427 1.652 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)CCN3C(=O)CCC3=O)cn2)n1 24572309 RJPGWQWQXYUGBI-UHFFFAOYSA-N 341.371 1.362 0 40 EDAB Cc1ccc(F)cc1NC(=O)C(=O)NCCc1nc(C(C)C)no1 77842483 MCPGAGUHIUITFW-UHFFFAOYSA-N 334.351 1.938 0 40 EDAB COc1ccc(C(=O)NCc2cc(C)nc(N(C)C)n2)cc1OC 189949459 CRFNHTNNSFDKJZ-UHFFFAOYSA-N 330.388 1.798 0 40 EDAB O=C(O)C[C@H](C(=O)NCCc1ccc2c(c1)OCO2)[C@H]1CCCO1 71405967 RLJMMGOQDGIZRC-QWHCGFSZSA-N 335.356 1.344 0 40 EDAB Cc1cc(Nc2ncccc2C)nc([C@@H]2CCN(C(=O)CN)C2)n1 72382987 OOGRSIVPSFQHGP-CYBMUJFWSA-N 326.404 1.507 0 40 EDAB CO[C@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1 78986851 BXGVSMYBEUSXRS-RYUDHWBXSA-N 330.306 1.654 0 40 EDAB CNc1nc(C)cc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)n1 225559167 YOVXTLCWJOTQSV-ZDUSSCGKSA-N 325.372 1.362 0 40 EDAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1C[C@@H](CO)[C@H](O)C1 85469361 FKNCOHSNOCYUGQ-DETPVDSQSA-N 333.363 1.088 0 40 EDAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CCn2cnnc2C1 135684480 DQGNOGRMCSNFSM-CQSZACIVSA-N 341.415 1.932 0 40 EDAB Cc1n[nH]c(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1 48513900 NZWBHRNCHMCUEE-UHFFFAOYSA-N 332.389 1.034 0 40 EDAB Brc1cncnc1N1CCC[C@@H]1CN1CCOCC1 195570799 HFSMAIWFMKTDDN-LLVKDONJSA-N 327.226 1.540 0 40 EDAB CCOc1ccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1 224251900 SUODOKZBTVCUGT-UHFFFAOYSA-N 341.415 1.879 0 40 EDAB CO[C@@H]1CCC[C@H](OC(=O)[C@@H](C)Sc2nnnn2C2CC2)C1 195529932 VWUROHWWXXDBFF-JLLWLGSASA-N 326.422 1.989 0 40 EDAB CC(C)(O)C(C)(C)OB(O)c1cnc(Cl)n1[C@H]1CCCCO1 199349706 KOWQGHANGUZUND-LLVKDONJSA-N 330.621 1.489 0 40 EDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1c(F)cccc1Cl 97380110 PQJCPMBJDPNVDP-UHFFFAOYSA-N 336.816 1.968 0 40 EDAB c1ccc(CN2CCO[C@@H]3CN(c4ncnc5[nH]cnc45)C[C@@H]32)cc1 96469767 AHDJYXMHCJVSMR-LSDHHAIUSA-N 336.399 1.443 0 40 EDAB Cc1ccc(CN2CCn3c(COCCN(C)C)nnc3C2)s1 96259015 PHSBUUDKHUKCFT-UHFFFAOYSA-N 335.477 1.742 0 40 EDAB Cc1nc(CN2C[C@@]3(CCN(c4ncccn4)C3)CC2=O)cs1 96239351 DTZPBGWMIDSVAK-INIZCTEOSA-N 329.429 1.871 0 40 EDAB C[C@@H]1CCCCN1C(=O)Cn1cc(I)cn1 96413719 KAMCNDAXFDMEKX-SECBINFHSA-N 333.173 1.889 0 40 EDAB O=C(c1ccnnc1)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 96245331 UDIQDMVNPMWVGU-ZBFHGGJFSA-N 340.358 1.346 0 40 EDAB CN(CC1CC1)S(=O)(=O)NCCNc1ccc2ccccc2n1 96421234 SOJMODFKOJOCIU-UHFFFAOYSA-N 334.445 1.823 0 40 EDAB Cc1noc([C@H]2CCC3(CCN(C(=O)c4ccn(C)n4)CC3)O2)n1 96109979 KENRWIHEZAEXHQ-CYBMUJFWSA-N 331.376 1.638 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95476958 OIIVFJARIXYVKE-CYBMUJFWSA-N 335.367 1.627 0 40 EDAB C[C@@H](NC(=O)NCCC1Cc2ccccc2C1)[C@@H]1CN(C)CCO1 96484981 INRZMYGEIPYBHE-KDOFPFPSSA-N 331.460 1.810 0 40 EDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC(C)C)C2=O)cc1 96221278 IAQATEIGEGFXMD-AWEZNQCLSA-N 333.388 1.073 0 40 EDAB biogenic COC(=O)C1(N[C@H]2CCN(CC(F)(F)F)C2=O)CCC(C)CC1 96424471 JOYODTNPSOTUJS-CVZZAPKMSA-N 336.354 1.861 0 40 EDAB Cc1csc(C[C@H]2OC[C@H]3CN(S(=O)(=O)N(C)C)CC[C@H]32)n1 96208094 XZCAOFRDGDJSHY-JHJVBQTASA-N 345.490 1.137 0 40 EDAB CC(C)[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nnc2ccccn12 96461867 FHGAIGBCMLQAFP-CYBMUJFWSA-N 334.405 1.138 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(CC3CCOCC3)C[C@@H]21)c1cccnc1 247423537 RWYWVMVWMIEKCH-KZNAEPCWSA-N 345.443 1.185 0 40 EDAB OC[C@@H](O)CNc1ncc(I)c2ccccc12 585133154 XJWKZRRKFABCPW-QMMMGPOBSA-N 344.152 1.605 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccc(NCCc2ccccn2)cc1)C(N)=O 585129393 IGWQYCRMLZCSMA-QGZVFWFLSA-N 340.427 1.976 0 40 EDAB COC(=O)c1ccc2nc(COC(=O)c3cc(C)n(C)n3)[nH]c2c1 585135791 BHJRLDNLKIPMFG-UHFFFAOYSA-N 328.328 1.748 0 40 EDAB COc1ccccc1[C@H]1CN(C(=O)COc2cccnc2)CCN1C 257230294 GBPMRHDQTJSIJY-QGZVFWFLSA-N 341.411 1.984 0 40 EDAB COCc1ccc(C(=O)N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)cc1 257224590 FCLAQMDIECVALU-ROUUACIJSA-N 348.443 1.131 0 40 EDAB Cc1c(CCC(=O)N2CCC[C@@H](Cc3nccnc3N)C2)cnn1C 257206800 BEXVDLUKCBJKTC-AWEZNQCLSA-N 342.447 1.515 0 40 EDAB CCc1noc(CCC(=O)N2CCO[C@@H](c3ccnc(C)c3)C2)n1 257269763 MRHDHFMFSWTXDY-CQSZACIVSA-N 330.388 1.868 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)c(O)n1 257332853 XYZHGHCXCOEZHV-CHWSQXEVSA-N 341.358 1.012 0 40 EDAB COc1ncccc1C(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C 257312614 UOUIXOPXTNKLGQ-HNNXBMFYSA-N 341.415 1.885 0 40 EDAB O=C(COc1ccccc1F)N1CCO[C@H](CCc2ccncn2)C1 257300795 RVSNFFQKNOZDCZ-OAHLLOKOSA-N 345.374 1.855 0 40 EDAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1 257200367 ACZHLDUMBGZHMO-OAHLLOKOSA-N 340.431 1.727 0 40 EDAB Nc1cc(CCCNC(=O)C2CCOCC2)nn1-c1ccccc1 24785549 MEPIMVQMRWXFKP-UHFFFAOYSA-N 328.416 1.930 0 40 EDAB Cc1noc(C)c1CC(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257224913 FDXOWCVUHHHTFF-HZPDHXFCSA-N 334.347 1.624 0 40 EDAB NC[C@@H](NC(=O)[C@@H](N)C1CCOCC1)c1ccc2ccccc2c1 261916895 YFSMIYSKTWPBCH-MSOLQXFVSA-N 327.428 1.710 0 40 EDAB COCCn1cc(CNC(=O)Nc2nc(CC(C)C)ns2)cn1 1615057285 QRPAFTWSSVGWII-UHFFFAOYSA-N 338.437 1.901 0 40 EDAB Cc1ccc([S@](C)(=O)=NC(=O)[C@H]2CCc3nnn(C)c3C2)cc1 1616038892 XDLAPVSXFJSVIF-MYODQAERSA-N 332.429 1.912 0 40 EDAB CNc1ncc(CN2CCC[C@@](O)(COc3cccc(C)c3)C2)cn1 585276322 IEZWEJYLSQUQAJ-IBGZPJMESA-N 342.443 2.233 0 40 EDAB Cc1nc(C)n(CC(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2F)n1 585276942 QFQLNDFITXFQLR-IRXDYDNUSA-N 346.406 1.629 0 40 EDAB Cn1nc(C(=O)N2CCC[C@@H](n3cccn3)C2)c2ccccc2c1=O 69418619 GRVBVSRHVPRIAG-CYBMUJFWSA-N 337.383 1.607 0 40 EDAB CC(=O)N1CCN(C(=O)CNc2ccc3nc(C)sc3c2)CC1 52919300 ZMSRMDODXPAXNQ-UHFFFAOYSA-N 332.429 1.707 0 40 EDAB C[C@@H](NS(C)(=O)=O)C(=O)NC(C)(C)Cc1ccccc1Cl 73367230 KRVFORXRPVHMNZ-SNVBAGLBSA-N 332.853 1.715 0 40 EDAB C[C@@H]1CN(C(=O)C2=Cc3ccccc3OC2)C[C@@H]1N1CCOCC1 76054486 KWZUYMFMZBLHPG-PBHICJAKSA-N 328.412 1.642 0 40 EDAB C[C@@H](C1CC1)N(C(=O)CN1CCN(C2CCOCC2)CC1)C1CC1 96447994 HQBZKCLGDYHFJE-HNNXBMFYSA-N 335.492 1.573 0 40 EDAB C[C@@H](CNC(=O)N1CCO[C@@H](CO)C1)Oc1cccc(Cl)c1 79008897 SHGTYRWTWKCYIW-SMDDNHRTSA-N 328.796 1.510 0 40 EDAB Cn1cccc1C(=O)N1CCC2(CC1)CN(c1ncccn1)CCO2 96159034 BPLDMHDAQZYKCB-UHFFFAOYSA-N 341.415 1.327 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCCCc1ccccc1 100293598 XUHJHQJVZPZRSK-UOVPBQLFSA-N 339.391 1.970 0 40 EDAB CC[C@@H](NCC(=O)Nc1ccc(Br)cc1)C(=O)OC 192836340 HYLLFCMKMVUDSC-LLVKDONJSA-N 329.194 1.929 0 40 EDAB Cc1cc(C)nc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 664183577 MXYVPICSWFYGNS-IYBDPMFKSA-N 336.395 1.715 0 40 EDAB O=C(NCCCN1CCOCC1)c1cc(Br)ccc1O 20356178 ZARYWLCQAWBUIK-UHFFFAOYSA-N 343.221 1.607 0 40 EDAB O=C(c1ccc(OC2CSC2)cc1)N1CCc2c(nc[nH]c2=O)C1 12155754 OIEFYMLXJFILTA-UHFFFAOYSA-N 343.408 1.463 0 40 EDAB CC(C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16575439 NQXYPRBZCBFXOB-UHFFFAOYSA-N 340.445 1.811 0 40 EDAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)c1ccccc1)CC2 19706521 YZRPGVGZVCSDDM-HNNXBMFYSA-N 325.416 1.743 0 40 EDAB Cc1cc2ncc3c(n2n1)CCN(S(=O)(=O)c1cccnc1)C3 208038004 SLIJFHLKQPOKQP-UHFFFAOYSA-N 329.385 1.180 0 40 EDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)C1(c2cccc(F)c2)CC1 643586182 DYHNTKOTYNCBKR-WQVCFCJDSA-N 337.391 1.074 0 40 EDAB CN(C)C(=O)c1cccc([C@@H]2CN(c3cnccn3)CCN2C)c1 248042112 VTEUQOBBBDBMFC-INIZCTEOSA-N 325.416 1.672 0 40 EDAB CN1CCN([C@H](CC(=O)Nc2ccccc2Cl)C(=O)O)CC1 22461847 AQBDGKXSZJIWHS-CYBMUJFWSA-N 325.796 1.369 0 40 EDAB COc1ccccc1CNC(=O)CN1CCC[C@@H]1[C@H]1COCC[C@H]1O 583614676 CILNBCIKXOEOOZ-BRWVUGGUSA-N 348.443 1.173 0 40 EDAB C[C@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc2c(c1)OCCO2 10140021 PZKPQEQMHZOSND-VIFPVBQESA-N 344.327 1.014 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2cc[nH]n2)C3)nc1 1888866765 IWQZWACLMHIPCJ-CXAGYDPISA-N 327.388 1.829 0 40 EDAB Cc1nc(C)c(F)c(N2CCN(c3nccn4nccc34)CC2)n1 1888881953 XJVRYVVEZILDJU-UHFFFAOYSA-N 327.367 1.602 0 40 EDAB O=C([C@@H]1CN(Cc2c(F)cccc2Cl)CCO1)N1CCOCC1 1889125238 MMQKXWILWSLXJJ-HNNXBMFYSA-N 342.798 1.539 0 40 EDAB Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@H]4CC4(C)C)C[C@@H]32)n1 2056224331 YLSHGLLHCDANMF-IKGGRYGDSA-N 329.444 1.848 0 40 EDAB CC(C)N1CCn2nnc(CNC(=O)[C@@]3(C)CC=CCC3)c2C1=O 1614939791 ZGDMUNZFUCRWAP-KRWDZBQOSA-N 331.420 1.505 0 40 EDAB O=C(c1cc[nH]c1)N1C[C@H]2CCN(C(=O)c3cscn3)C[C@H]2C1 986239309 SXDKLGGLPBVBDJ-OLZOCXBDSA-N 330.413 1.706 0 40 EDAB CC(=O)c1cc(C(=O)N2CCc3ncnc(-c4ccncc4)c3C2)n[nH]1 1565555510 JGEFTTBPPRQIRA-UHFFFAOYSA-N 348.366 1.663 0 40 EDAB Cn1cnc(C(=O)N2C[C@H]3CC[C@H]2c2cnc(NCC4CC4)nc23)n1 1565551996 YPOACKCNZITXDH-YPMHNXCESA-N 339.403 1.502 0 40 EDAB Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1 4585925 PBKCPIOUNHKBEO-UHFFFAOYSA-N 326.385 1.785 0 40 EDAB CN(C)C(=O)[C@@]1(n2ccnc2)CCCN(C(=O)Cc2cccs2)C1 2055771718 SAKILMDBKUSLLB-QGZVFWFLSA-N 346.456 1.593 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2ccc(F)cc2)C1 2055772514 PJJOTHXNWPUSHQ-SFHVURJKSA-N 344.390 1.329 0 40 EDAB COc1cnc(O[C@H]2CCN(c3nccc(C(F)(F)F)n3)C2)nc1 2086884548 ITWIQHBCAFLVNH-VIFPVBQESA-N 341.293 1.952 0 40 EDAB COc1nc(CNC(=O)Nc2ccc(F)c(F)c2F)nc(OC)n1 575607519 OERZPCQTOZDGMC-UHFFFAOYSA-N 343.265 1.628 0 40 EDAB O=S(=O)(CCc1ccccc1)NCc1cn(-c2ccsc2)nn1 585409510 SUWLBFONJWWJFF-UHFFFAOYSA-N 348.453 1.991 0 40 EDAB C[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)n1nnc2ccccc2c1=O 16021414 ONOHJPSPDKYQEO-SNVBAGLBSA-N 334.339 1.289 0 40 EDAB CC[C@]1(c2ccccc2)C(=O)N(C)C(=O)N(Cc2ccon2)C1=O 96191865 KSNIGCRHVQTOSQ-KRWDZBQOSA-N 327.340 1.943 0 40 EDAB Cc1csc(N2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)n1 30701227 ZLVOTXFZXTWPJD-UHFFFAOYSA-N 331.445 1.875 0 40 EDAB COc1ccc2cnn(CC(=O)NC3CCCCC3)c(=O)c2c1OC 40268087 HBVYNOQPSMRCRY-UHFFFAOYSA-N 345.399 1.863 0 40 EDAB O=C(NCCCN1CCOCC1)c1cc(Cl)c2c(c1)OCCO2 40461183 OFANNKKCMLBAOF-UHFFFAOYSA-N 340.807 1.563 0 40 EDAB O=C([C@@H](c1ccccc1)n1nnc(-c2ccccc2)n1)N1CCOCC1 31625633 APZCHCJBHNNBIW-QGZVFWFLSA-N 349.394 1.788 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)CCn2nnc3ccccc3c2=O)C1 40534285 LGNNMBONTUWJLB-CQSZACIVSA-N 343.431 1.030 0 40 EDAB O=C(Nc1nc2ccccc2[nH]1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 40505685 HUYRNWQBRCDITH-MRVPVSSYSA-N 326.278 1.912 0 40 EDAB C[C@H](CNC(=O)c1cc(Cl)c2c(c1)OCO2)N1CCOCC1 29958962 ANOQBJHJTWMVOZ-SNVBAGLBSA-N 326.780 1.519 0 40 EDAB O=C(NC1CCN(c2ccccn2)CC1)N[C@@H]1CCN2CCCC[C@H]12 46943536 PSPXABQLXSCWIM-IAGOWNOFSA-N 343.475 1.976 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN1CCN(Cc2ccccc2)CC1 22038956 AKMOKQKZJMTWSX-UHFFFAOYSA-N 332.448 1.429 0 40 EDAB CCOc1ccccc1C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103110953 KMBNQASMEILRAN-UOVKNHIHSA-N 326.352 1.537 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)CCCNc3ncccn3)C2)n1 54120668 JCTMXLDYBQAHKO-CYBMUJFWSA-N 330.392 1.766 0 40 EDAB C[C@@H](NC[C@H](O)CN1CCOCC1)c1ccc(-n2ccnc2)cc1 23654365 ZPLBGSNLTGOVMY-QAPCUYQASA-N 330.432 1.216 0 40 EDAB CCc1ncc2c(n1)CN(C[C@H](O)CN(C)Cc1ccccc1)CC2 72268752 MDKUGEOQJVXOES-GOSISDBHSA-N 340.471 1.890 0 40 EDAB Cn1c(=O)c(Cn2cnc3ccccc3c2=O)nc2cc(F)ccc21 97201200 VCKOWAJEGVURAX-UHFFFAOYSA-N 336.326 1.831 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)NCCc1ccccn1 42964583 BQHJYEMQAQSUND-LBPRGKRZSA-N 344.337 1.477 0 40 EDAB Cn1cnc2cc(C(=O)NCCNC(=O)CC3CCCC3)cnc21 97235292 IGIKDGAOOKLDIM-UHFFFAOYSA-N 329.404 1.395 0 40 EDAB Cc1cc(CN(C)C(=O)Cc2nn(C)c(=O)c3ccccc23)no1 25136726 GYRYNGMFFBRUNU-UHFFFAOYSA-N 326.356 1.431 0 40 EDAB COc1ccc(OC)c(NC(=O)C[C@H]2N[C@H]3CCCC[C@H]3NC2=O)c1 9483998 YUGMAGUFGZESFQ-GZBFAFLISA-N 347.415 1.432 0 40 EDAB C[C@H]1COCCN1[C@H](C)CNC(=O)c1c[nH]c2ccccc2c1=O 106851649 ZYHRAVQFFYUVSM-OLZOCXBDSA-N 329.400 1.367 0 40 EDAB O=C(O)[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1Cc1cccnc1 72463230 CDYYICVSUAYBPB-MRXNPFEDSA-N 343.427 1.759 0 40 EDAB COc1ccc(F)cc1CN1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 107058329 UBDIFEDVGZYHBE-KBXCAEBGSA-N 349.450 1.819 0 40 EDAB c1ccc(CN2CCOC[C@@]3(C[C@@H](CN4CCCC4)CO3)C2)nc1 107738814 KWMKAVWLAFKRHZ-PKOBYXMFSA-N 331.460 1.785 0 40 EDAB CCOC(=O)C1(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCCC1 56368132 YDAOFAOPGNPVSD-CYBMUJFWSA-N 336.432 1.770 0 40 EDAB COc1cccc(CN2CC[C@@]3(CCN([C@H]4CCOC4)C3)C2=O)c1 107194346 IIKXAPGKNNKPAZ-LPHOPBHVSA-N 330.428 1.909 0 40 EDAB O=C(CCn1nc2ccccn2c1=O)N1CC=C(c2ccccc2)C1 95465016 TVUDIEPQXOLFQE-UHFFFAOYSA-N 334.379 1.812 0 40 EDAB CCOC(=O)CN(CC(=O)NC(=O)NC)Cc1ccc(Cl)cc1 52863959 DTIKKBGKPGGWCP-UHFFFAOYSA-N 341.795 1.161 0 40 EDAB O=S(=O)(c1cccs1)N1CC[C@@]2(C[C@@H](n3cnnc3)CO2)C1 107226716 DCWDLRTYIXXEGX-DGCLKSJQSA-N 340.430 1.134 0 40 EDAB CCOc1ccccc1NCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 57896093 SSINODLBZRXNHH-GFCCVEGCSA-N 326.418 1.143 0 40 EDAB Cc1cn2nc(N(C)Cc3nc4ccccc4c(=O)[nH]3)sc2n1 44648715 DIDIOWSFTZENBA-UHFFFAOYSA-N 326.385 1.972 0 40 EDAB O=C(CCCc1ccccc1)Nc1nonc1C(=O)N1CCOCC1 58109599 BQDKPVSQXWWKSB-UHFFFAOYSA-N 344.371 1.503 0 40 EDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N(C)Cc2ccco2)cc1 44891662 KDABJYMTXVPJBF-JXMROGBWSA-N 334.397 1.860 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCN(c2nccs2)CC1)c1ccco1 44895070 PDOJUEXJLXLVAG-CYBMUJFWSA-N 349.460 1.871 0 40 EDAB NC(=O)C1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1 44894892 JOISFGOOFGQIBO-AWEZNQCLSA-N 329.400 1.302 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)Cn1cnc2c(C)cccc2c1=O 58216103 MRTMJBZYEUIOMV-AWEZNQCLSA-N 329.400 1.732 0 40 EDAB CN(C(=O)Cn1cccnc1=O)[C@@H](c1ccccc1)c1ccccn1 58202939 LPIAISPCAUKSKQ-SFHVURJKSA-N 334.379 1.886 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCC(=O)N2 44968908 GZXXUVOMVUYAGS-ZWNOBZJWSA-N 336.413 1.183 0 40 EDAB CC(=O)N1CCN(C(=O)NCc2cc(Br)cs2)CC1 44971373 QLFIXAHXYJXDRC-UHFFFAOYSA-N 346.250 1.884 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)NCCCS(C)(=O)=O 58368393 GBKNUNLGVMTNTR-UHFFFAOYSA-N 340.430 1.073 0 40 EDAB CCCC(=O)N[C@H]1CCCN(C(=O)c2cccnc2-n2cncn2)C1 58357163 ZAHVCENYONFHIC-ZDUSSCGKSA-N 342.403 1.183 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CNC[C@H]1CNc2ccnn2C1 58304921 HLUVOVKAWJPLTO-JKSUJKDBSA-N 330.432 1.571 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 58328686 YACRGAFCIDMTSU-AWEZNQCLSA-N 342.351 1.929 0 40 EDAB CC(C)[C@@H](CNS(=O)(=O)c1ccccc1Cl)N1CCOCC1 12768705 KQXDVYKQNWAJMR-CQSZACIVSA-N 346.880 1.975 0 40 EDAB CN(CC(=O)Nc1ccc(Nc2ccccc2)nc1)S(C)(=O)=O 58331116 DJOOKKSGPHCKFX-UHFFFAOYSA-N 334.401 1.655 0 40 EDAB COc1nc(C(=O)N[C@H](C)CN2CCOCC2)cc2ccccc12 58415051 FYQJEIYNSQJPRD-CYBMUJFWSA-N 329.400 1.694 0 40 EDAB COCc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1 36365206 UAMMFSJJPVAUIY-UHFFFAOYSA-N 345.384 1.423 0 40 EDAB COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1-n1cnnn1 36359018 UZMIFQJZVRRJKX-UHFFFAOYSA-N 339.311 1.652 0 40 EDAB CS(=O)(=O)c1ccc(O)c(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 64864639 PLGDJFUIASMHQM-OGXIQJDLSA-N 333.365 1.107 0 40 EDAB CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)c1 25235760 SHNHPLBFOCZAJZ-UHFFFAOYSA-N 341.367 1.836 0 40 EDAB Cn1ccnc1[C@](O)(CCNC(=O)Nc1ccccn1)C(F)(F)F 45715700 ZXVOKMJDBUWJNX-CYBMUJFWSA-N 343.309 1.777 0 40 EDAB CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1cc(C)no1 29121651 JFUADNVBFYOQSM-UHFFFAOYSA-N 348.378 1.699 0 40 EDAB O=C(NCc1cc[nH]n1)N[C@@H](CN1CCCC1=O)c1ccccc1 48313697 ROCWUSNOCWNEIG-HNNXBMFYSA-N 327.388 1.573 0 40 EDAB CNC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 2643257 ZNXQDLMOMCISOW-LJQANCHMSA-N 337.379 1.422 0 40 EDAB C[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)N1CCCC1 2652213 SHPINKMEALLVPO-LLVKDONJSA-N 329.356 1.101 0 40 EDAB C[C@@H]1CN(CCCNC(=O)c2n[nH]c(=O)c3ccccc23)C[C@@H](C)O1 23509264 LOBJSLPFXRBJPC-CHWSQXEVSA-N 344.415 1.152 0 40 EDAB C[C@H](CCc1ccccc1)NC(=O)Cn1nnc2ccccc2c1=O 3579147 FEXLWTJLSANFCR-CQSZACIVSA-N 336.395 1.929 0 40 EDAB CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1CC 3501450 RCOCCKQLMDBFEE-UHFFFAOYSA-N 333.417 1.903 0 40 EDAB CN(CCOc1ccc(Cl)cc1)C(=O)C1CCN(C(N)=O)CC1 13100728 IGQYOUDQNPZEHO-UHFFFAOYSA-N 339.823 1.968 0 40 EDAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(O)nn1 23417368 WFOHFJIIPRFBQO-UHFFFAOYSA-N 328.372 1.291 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)NCCC3=CCCCC3)CCO2)c1 71186460 SWAAQVHCJHYVJZ-SFHVURJKSA-N 346.475 1.899 0 40 EDAB Cc1cc(CN2CCN(Cn3cc(Br)cn3)CC2)on1 49319960 UVJOPRQBFGBXJK-UHFFFAOYSA-N 340.225 1.717 0 40 EDAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CCCO1 27396154 PETPXIGCWHSVQY-RYUDHWBXSA-N 326.418 1.426 0 40 EDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2cccc3nonc23)c1C 13729205 JRMCGTKSFYVHOW-UHFFFAOYSA-N 342.359 1.311 0 40 EDAB O=C(NCCO)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 97365539 MCJAXXWWYGVMLT-NSHDSACASA-N 328.315 1.001 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387400 RSUAGPSEDHULFZ-OPQQBVKSSA-N 348.277 1.176 0 40 EDAB O=C(Cn1ccn(Cc2ccccc2)c(=O)c1=O)Nc1ccccc1 4316091 FPYRMANXDUTGCY-UHFFFAOYSA-N 335.363 1.697 0 40 EDAB COc1nc(N2CCCCCC2)nc(N2CCC[C@@H]2C(=O)N(C)C)n1 84483170 KLAQNQDUCHQEAH-CYBMUJFWSA-N 348.451 1.318 0 40 EDAB O=C(COc1ccc(-n2cnnn2)cc1)NCc1ccc(F)cc1 6231362 FIAOEESBOUBBEP-UHFFFAOYSA-N 327.319 1.497 0 40 EDAB CC(=O)N1CCCN(C(=O)NCc2cccnc2OC(C)C)CC1 65434659 DSHQJZSFKNCZIK-UHFFFAOYSA-N 334.420 1.633 0 40 EDAB CCCC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 96002391 USMUOECDERZQMH-OAHLLOKOSA-N 347.463 1.168 0 40 EDAB Cc1noc(CNC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)n1 66178832 XYJGWOJYJQNKKR-CQSZACIVSA-N 343.387 1.541 0 40 EDAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H]1C(N)=O 66147004 WAPWBRINZRDCAI-GXSJLCMTSA-N 330.306 1.949 0 40 EDAB Cn1ncc(C(=O)N2CCN(CC(F)F)CC2)c1Br 96012364 IKHOJGOEGAGNTQ-UHFFFAOYSA-N 337.168 1.206 0 40 EDAB CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCCc1cncn1C 96011897 NEBWRJIWERZAAN-QGZVFWFLSA-N 342.443 1.606 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)NCc1cn(C)nc1-c1ccccc1 96007842 RGVMMVLNJYRCTP-CYBMUJFWSA-N 339.403 1.567 0 40 EDAB O=C(NCc1cc(F)ccc1Br)N1CCO[C@@H](CO)C1 78903817 SOXBNVTXOPKKOV-LLVKDONJSA-N 347.184 1.491 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 72309025 PTCKKZIVUDCMIJ-APHBMKBZSA-N 338.835 1.775 0 40 EDAB COc1ccc(/C=C/C(=O)NCCCN2CCOCC2)cc1OC 19722017 SCSGONWTADXVGV-FNORWQNLSA-N 334.416 1.556 0 40 EDAB COC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(C)C 9313931 FNRFEDMSFDYXBN-CQSZACIVSA-N 340.401 1.047 0 40 EDAB C/C(=C\C(=O)NCCS(=O)(=O)NCc1ccc(F)cc1)C1CC1 96256149 TZHWFRCRFSWYAY-ZRDIBKRKSA-N 340.420 1.718 0 40 EDAB C[C@@H]1C[C@H]1COC(=O)c1sccc1S(=O)(=O)N1CCOCC1 67900687 BDWFSNLZQZRXBF-MNOVXSKESA-N 345.442 1.582 0 40 EDAB Cc1ccc(-c2nc(CC(=O)N3CCC[C@H](C(N)=O)C3)cs2)o1 67984258 PLVIGATXJUVJBT-NSHDSACASA-N 333.413 1.978 0 40 EDAB CCOC(=O)N[C@H]1CCCN(C(=O)[C@H](C)c2c(C)nn(C)c2C)C1 70029591 QBXSHUSTPYFRBA-RISCZKNCSA-N 336.436 1.878 0 40 EDAB Cc1nc2nc(CSc3nnnn3-c3ccccc3)cc(O)n2n1 16994248 JVMVNABVMCTQBX-UHFFFAOYSA-N 340.372 1.406 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 83611062 DVRMWIJPZRLPKQ-LBPRGKRZSA-N 348.877 1.506 0 40 EDAB O=C1C[C@H](C(=O)Nc2nnc(C(F)(F)F)[nH]2)c2ccccc2N1 69453288 QNFCCTUBZHGQHF-ZETCQYMHSA-N 325.250 1.888 0 40 EDAB CCc1noc(C)c1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 8401886 ZYLSCPMHBULHPH-UHFFFAOYSA-N 346.339 1.747 0 40 EDAB O=C(NCCc1nc2c(s1)CCCC2)[C@H]1CC(=O)N(CC2CC2)C1 69580568 DFKGJEDYHIOLKO-ZDUSSCGKSA-N 347.484 1.939 0 40 EDAB Cc1ccc(CC(=O)N2CCN(C(=O)Cc3ccccn3)CC2)cc1 69580876 UAWRMALSAKDGMT-UHFFFAOYSA-N 337.423 1.846 0 40 EDAB CCO[C@H](C)C(=O)NS(=O)(=O)c1ccc2c(c1)OCCCO2 69574076 XFSYGXBATJQWCD-SNVBAGLBSA-N 329.374 1.078 0 40 EDAB O=C(CCc1ccsc1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 96432201 KBVYDCAVEHTQHT-GFCCVEGCSA-N 339.442 1.876 0 40 EDAB Cc1cccc(N(CCC(N)=O)CCn2nc3ccccn3c2=O)c1 69631804 VCODDLGVEXYBMJ-UHFFFAOYSA-N 339.399 1.186 0 40 EDAB CCCCCCN(C)CC(=O)N1CCCN(CC(=O)NCC)CC1 69632399 MIFSAHWZMNKPPZ-UHFFFAOYSA-N 340.512 1.169 0 40 EDAB Cc1nnc2n1CCN([C@H](C)C(=O)N1CCc3sccc3C1)C2 69776424 VZYZVDWCXRBSNY-LLVKDONJSA-N 331.445 1.437 0 40 EDAB O=C1OCCN1CCCN1CCCN(c2nc3ccccc3[nH]2)CC1 69702241 BGLLXSKFESDXGV-UHFFFAOYSA-N 343.431 1.917 0 40 EDAB Cn1ccc(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1=O 69780076 XLNVGJZLFXAOHR-CYBMUJFWSA-N 335.404 1.515 0 40 EDAB Cc1c(Nc2ncnc3c2cnn3C)c(=O)n(-c2ccccc2)n1C 9532163 SHTIPTNMTOOBKX-UHFFFAOYSA-N 335.371 1.905 0 40 EDAB C[C@H]1C[C@@H](C)CN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(C)C3=O)[C@@H]12 8695466 GCQXKQZJQISPAA-NZMVCBSFSA-N 341.411 1.788 0 40 EDAB C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)CN1CCCC1=O 84638465 QIRNEPCJMJIANO-LBPRGKRZSA-N 327.384 1.516 0 40 EDAB CC(=O)N1CCC(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 8734048 VWSGJLKSTJJGLY-UHFFFAOYSA-N 339.342 1.278 0 40 EDAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCN(C[C@@H](C)O)CC1 71877418 LHKQVGOYWOPSKS-CABCVRRESA-N 337.439 1.344 0 40 EDAB C[C@H](O)CN1CCN(C[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 71877369 LSIARQDOIBDJRO-BBRMVZONSA-N 346.393 1.911 0 40 EDAB NS(=O)(=O)CCCNC(=O)c1ccc(-n2cccc2)c(F)c1 71847398 OGPHPWDPZROJSN-UHFFFAOYSA-N 325.365 1.025 0 40 EDAB CC(C)[C@H]1CCCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 71829995 DHXNTUPVZDNCOW-CQSZACIVSA-N 329.400 1.727 0 40 EDAB CN(C)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 71851733 ZXSLYWATDRYRDY-AWEZNQCLSA-N 347.415 1.088 0 40 EDAB CN1CCN(c2ccccc2CNC(=O)COC[C@H]2CCCO2)CC1 71803301 BNBNGCFGUYXANU-QGZVFWFLSA-N 347.459 1.250 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@@H]1N1CCOCC1 84736098 XEXAYKLOUAHDSJ-DYVFJYSZSA-N 343.431 1.151 0 40 EDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCc2ccccc21 9613849 OOFSMQPYLDYACN-UHFFFAOYSA-N 335.363 1.669 0 40 EDAB COC(=O)c1n[nH]cc1CN1CCC[C@]2(C1)C(=O)Nc1ccccc12 72154801 WZTNVFVREKXMKG-GOSISDBHSA-N 340.383 1.682 0 40 EDAB CC(C)CO[C@@H](C)c1noc(Cn2ncc3cccnc3c2=O)n1 95405180 SLWOYLPOVJSIFL-NSHDSACASA-N 329.360 1.956 0 40 EDAB C[C@@](O)(CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccco1 73930911 FCBWLJVSWVAKLT-GXFFZTMASA-N 335.326 1.423 0 40 EDAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cnns1 95978733 ONXFHHBQJJLUTP-JTQLQIEISA-N 340.767 1.866 0 40 EDAB O=C(NCCCc1ccc(O)cc1)N1CCN(Cc2ccon2)CC1 74316080 JZBYUXYIOHNORF-UHFFFAOYSA-N 344.415 1.840 0 40 EDAB COC(=O)[C@H](c1ccc(F)cc1)N1CCC(N2CCNC2=O)CC1 89396206 WVKBRTRBYFMCHA-HNNXBMFYSA-N 335.379 1.529 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(c3n[nH]c(C)n3)CC2)c1 89497102 BZNOUAWQEZLAEA-UHFFFAOYSA-N 348.428 1.884 0 40 EDAB CC(=O)c1cccc(NC(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 75107090 HCYMBHRHOAEMHV-MRXNPFEDSA-N 335.404 1.046 0 40 EDAB Cc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c(=O)[nH]1 75118564 PYRZCPHQTOAYAQ-UHFFFAOYSA-N 341.411 1.520 0 40 EDAB Cc1ccc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)nc1 89652295 KXXMPYQADFKUES-OAHLLOKOSA-N 325.368 1.756 0 40 EDAB COc1ccc(OC[C@@H](O)Cn2c(=N)n(C)c3ccccc32)cc1 20080414 KLQZVKCCWUEBLF-ZDUSSCGKSA-N 327.384 1.908 0 40 EDAB COC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 408630270 QVAGEVXSAIRAGK-SNVBAGLBSA-N 348.852 1.566 0 40 EDAB O=C(c1cccnn1)N1C[C@H]2[C@@H]3CC[C@@H](CN3c3ncccn3)[C@H]2C1 1048488706 MEANSAYODYQOJE-NHIYQJMISA-N 336.399 1.254 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)NCCCOC(C)C)ccc1C 408627178 YGNGQFNVVVOPIR-UHFFFAOYSA-N 342.461 1.838 0 40 EDAB CN(C)C[C@@H]1CCN(C(=O)NCCOc2ccc(F)cc2F)C1 129920328 FSYGWZQZSYBOER-LBPRGKRZSA-N 327.375 1.937 0 40 EDAB COc1ccc2c(ccn2CCCNC(=O)[C@H](C)n2cnnn2)c1 524734859 FTYOTSHPQNIFCO-LBPRGKRZSA-N 328.376 1.404 0 40 EDAB COC(=O)CN1CCCN(c2nc(-c3ccccc3)ns2)CC1 121292655 NOWMKAZTHRZBPO-UHFFFAOYSA-N 332.429 1.890 0 40 EDAB O=C(Cc1cccs1)N1CCCN(CC(=O)N2CCCC2)CC1 78619475 FQKDZKTZVUFNDT-UHFFFAOYSA-N 335.473 1.447 0 40 EDAB Cc1nnc(COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)o1 39655368 RKNLBUZCDOKXSF-AWEZNQCLSA-N 343.339 1.742 0 40 EDAB COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2CCC(=O)N(C)C2)C1 121376216 AOOITOHYYXBAPQ-UONOGXRCSA-N 346.431 1.194 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1 76374180 ABYJJKHGBJBJCB-GOEBONIOSA-N 347.440 1.958 0 40 EDAB COc1c(C(=O)NCc2cnn(-c3ccccc3)c2)c(C)nn1C 78998626 LYCCDHZYNXVFSE-UHFFFAOYSA-N 325.372 1.853 0 40 EDAB CC(C)n1cnc2c(N3CCN(C(=O)c4ccco4)CC3)ncnc21 36353143 MZOFLDUOARCHQI-UHFFFAOYSA-N 340.387 1.963 0 40 EDAB CCc1ccccc1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)O 567044106 CHOTWQMLJZNNKZ-AAEUAGOBSA-N 327.402 1.407 0 40 EDAB COCCNS(=O)(=O)c1ccc(NCCC(C)C)c(C(=O)O)c1 217599105 OGGXVCWHSQZUBF-UHFFFAOYSA-N 344.433 1.768 0 40 EDAB NC(=O)CCN(c1ccc(F)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O 77279936 QUPSZVNYZJATII-GFCCVEGCSA-N 347.312 1.671 0 40 EDAB O=C([C@H]1CSc2nccc(=O)n2C1)N1CCc2ccccc2C1 85473944 YGAFMCNCTYDXQV-CQSZACIVSA-N 327.409 1.550 0 40 EDAB CC(C)(C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223056970 DEQPXRRCBAOZMT-UHFFFAOYSA-N 340.430 1.867 0 40 EDAB COc1cc2nc(CN3CCN(C)C[C@H]3C)[nH]c(=O)c2cc1OC 89939259 MAPYTUGKKWNNOZ-LLVKDONJSA-N 332.404 1.076 0 40 EDAB Cc1cc(C)c(N2CC[C@H](N3CCC(NC(N)=O)CC3)C2=O)c(C)c1 190654077 CXSWLZINKCALNJ-INIZCTEOSA-N 344.459 1.850 0 40 EDAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)C1CCN(c2cnccn2)CC1 81703669 KSEYQHYHGUHZCR-SJLPKXTDSA-N 338.411 1.468 0 40 EDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCc1ccco1 225880922 SLERGQLEZJANOB-UHFFFAOYSA-N 329.403 1.370 0 40 EDAB COc1ccc(SCC(=O)NCCN2CCOCC2)cc1OC 44883697 YJIREWKFXHXFBE-UHFFFAOYSA-N 340.445 1.244 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)cc2)s1 225658677 UPZCUXQCBKIMIF-UHFFFAOYSA-N 330.366 1.827 0 40 EDAB CCN(CC(=O)Nc1cc(Br)c(=O)n(C)c1)C1CC1 136050015 SRSJOLITWSLSBQ-UHFFFAOYSA-N 328.210 1.571 0 40 EDAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@@H](N2C(=O)COC2=O)C1 225701319 UJNLWZWFNUZCBX-GFCCVEGCSA-N 340.339 1.270 0 40 EDAB COc1ccc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1OC 224348562 BEIWDMISPSCNSZ-UHFFFAOYSA-N 345.403 1.878 0 40 EDAB C[C@H](O)CNC(=O)CCc1nc2ncc(Br)cc2[nH]1 85432498 URURXPCVPRXFEF-ZETCQYMHSA-N 327.182 1.150 0 40 EDAB C[C@@H](CCNC(=O)N1CCCNC(=O)[C@@H]1C)N(C)Cc1ccccc1 191436945 JUGCDQOYIYPBHH-HOTGVXAUSA-N 346.475 1.817 0 40 EDAB O=C(c1cnccn1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96187191 DZJIYBJIBAPZNF-YCPHGPKFSA-N 326.356 1.323 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)o1 96202060 JFYNYOXYMLFVGP-LJQANCHMSA-N 348.443 1.932 0 40 EDAB Cc1ccc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2cnn(C)c2)o1 96200954 WUQAJZSFQBQZLG-MOPGFXCFSA-N 344.459 1.839 0 40 EDAB COCCNC(=O)C[C@@H]1C[C@H]2CN(Cc3scnc3C)C[C@H]2O1 96206673 QUFMSSYHGLXDSA-MELADBBJSA-N 339.461 1.194 0 40 EDAB O=C(Cc1ccccn1)N1C[C@@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 96042436 PYOQOJXNFDAPGU-LMMKCTJWSA-N 339.395 1.857 0 40 EDAB O=C(c1ccncn1)N1CCOC[C@H]1c1nccc(NCC2CC2)n1 96220686 XTYQYQSMYPAJGY-AWEZNQCLSA-N 340.387 1.302 0 40 EDAB Cc1cc(C(=O)N2CCc3ncc(CN4CCCCC4)n3CC2)no1 96067901 YLQWVGQZAFFBBR-UHFFFAOYSA-N 343.431 1.864 0 40 EDAB CCOC[C@H]1CN(S(=O)(=O)N(C)C)Cc2ncn(CC3CC3)c21 97953883 NBKSQLSOOJHLMD-CYBMUJFWSA-N 342.465 1.035 0 40 EDAB CN(Cc1ccco1)[C@H]1COC2(CCN(S(C)(=O)=O)CC2)C1 96048032 HIEMIZXASLYLJX-CYBMUJFWSA-N 328.434 1.295 0 40 EDAB Cc1nc(CN2CCn3c(C(=O)N4CCOCC4)cnc3C2)cs1 96198683 OIVZLPOZIWBJAB-UHFFFAOYSA-N 347.444 1.136 0 40 EDAB C[C@H]1CC[C@H](CO)CN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 96501238 VTWXALPWPFKQCE-UWVGGRQHSA-N 338.351 1.882 0 40 EDAB O=C(NCc1ccccn1)[C@]12COC[C@H]1CN(Cc1cccnc1)C2 96110097 XKOWQKOJOXWESK-VQIMIIECSA-N 338.411 1.241 0 40 EDAB COC[C@@H]1CN(S(=O)(=O)c2cccs2)Cc2nccn2C1 96187755 KRERFRWVWCMQNC-NSHDSACASA-N 327.431 1.412 0 40 EDAB COc1cc(NCc2cn3c(n2)CN(C(=O)C2CC2)CC3)ncn1 96197498 BJVHMGNWYUOXMI-UHFFFAOYSA-N 328.376 1.046 0 40 EDAB NC(=O)[C@H]1CCCCN1C(=O)Cn1c(=O)sc2c(F)cccc21 581607505 GKYKWWYKWLZRQE-LLVKDONJSA-N 337.376 1.069 0 40 EDAB Cn1ncc2c1[C@@H](COCC1CC1)N(C(=O)c1cnccn1)CC2 96197791 UNLJPFXNTAICKM-OAHLLOKOSA-N 327.388 1.376 0 40 EDAB CCc1cc(CNC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)on1 96421530 AXLVRMGMMUUZBW-HNNXBMFYSA-N 342.399 1.837 0 40 EDAB COc1ccc(CN2CCO[C@@]3(COCCN(C(C)=O)C3)C2)cc1 96049909 ULBCIVWUDQTCQP-SFHVURJKSA-N 334.416 1.145 0 40 EDAB NC(=O)[C@H]1CCC[C@H]1NC(=O)COc1ccccc1Br 96486524 RWECDUJWUAIYEM-GXSJLCMTSA-N 341.205 1.598 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2cccs2)Cc2ccnn2C1 96189056 ZYILWMVXNGRDQO-AWEZNQCLSA-N 348.472 1.681 0 40 EDAB C[C@H](NS(C)(=O)=O)C(=O)NCC1(c2cccc(Cl)c2)CC1 96417859 SUVVGMVDLRYFQG-JTQLQIEISA-N 330.837 1.426 0 40 EDAB Cc1c(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccs2)cnn1C 96181102 RKVSSYLSGCTDTB-SWLSCSKDSA-N 332.429 1.626 0 40 EDAB C[C@H](Cn1ncc2ccccc21)C(=O)N1CSC[C@@H]1C(=O)N(C)C 241701746 QKWZJBIJZPTZKF-IUODEOHRSA-N 346.456 1.662 0 40 EDAB O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)N1CCc2ccccc21 585090294 IFNGPOJMZXTAKW-INIZCTEOSA-N 342.370 1.435 0 40 EDAB CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)/C=C/C1CC1 585127807 JPWGTBLEWGZWMC-DKRLNXSXSA-N 340.420 1.067 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@H]3C[C@H]4C=C[C@H]3NC4)CC2)oc1C 585136801 SUTOZOYHTUQFGG-OWCLPIDISA-N 330.432 1.100 0 40 EDAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2nc(C(=O)O)co2)C1 585134011 AMFJFPAXWKZURM-QWRGUYRKSA-N 337.376 1.274 0 40 EDAB C[C@@H](NS(=O)(=O)c1cc(F)cc(Cl)c1)c1nnc(O)n1C 585114467 BNRFLFFCVBHXCN-ZCFIWIBFSA-N 334.760 1.353 0 40 EDAB NC(=O)c1cc(C[C@@H]2CCCN(C(=O)C3CCOCC3)CC2)ncn1 257297283 RGQPDSISRWEBID-CYBMUJFWSA-N 346.431 1.173 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257268594 MMJCBYLYZVWBAP-CQSZACIVSA-N 332.360 1.238 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cc(C)no3)C2)ncn1 257217873 DAYQGDXMEGAGCR-QGZVFWFLSA-N 345.403 1.185 0 40 EDAB O=c1nc(O)c2cc(Cc3ccc4oc(O)nc(=O)c4c3)ccc2o1 255187536 FFGYFNYEJKWSKW-UHFFFAOYSA-N 338.275 1.691 0 40 EDAB CC(C)Oc1ccc([C@@H]2CN(S(=O)(=O)N(C)C)CCN2C)cc1 257295855 RAEBGPFUOBJCGW-INIZCTEOSA-N 341.477 1.569 0 40 EDAB Nc1cc(CC[C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)ccn1 257247735 JAGBDTJDTGACAM-OAHLLOKOSA-N 347.440 1.686 0 40 EDAB CN(Cc1ccccc1)[C@@H]1CCC[C@@H](n2ccc(O)nc2=O)[C@@H]1O 257325995 WVIASAYCLQPZFN-BFYDXBDKSA-N 329.400 1.535 0 40 EDAB Cc1ncccc1C(=O)N1CCO[C@H](CCc2cc(O)ncn2)C1 257305588 SQQOLZXEOUBDIN-CQSZACIVSA-N 328.372 1.359 0 40 EDAB O=C(Cc1ccsc1)NC[C@@]1(O)CCCN(c2ccccn2)C1 257264833 LWDTYMQHUZDVCV-KRWDZBQOSA-N 331.441 1.833 0 40 EDAB Cn1nnnc1S[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O 272892747 AYOIFVOPJQHAFM-VIFPVBQESA-N 331.323 1.418 0 40 EDAB CN1CCN(C(C)(C)CNc2ncc(Br)cn2)CC1 1615578974 FTNVWGRBKRFJOO-UHFFFAOYSA-N 328.258 1.677 0 40 EDAB C[C@@H]1CCC[C@]1(NS(=O)(=O)c1ccc(C(=O)O)c(F)c1)C(=O)O 1615588026 NJVRFDJBHBPWFO-XLKFXECMSA-N 345.348 1.446 0 40 EDAB COCCN(Cc1ccc2c(c1)OCO2)C(=O)CCc1nccn1C 1616031952 GWVRYDHUSIONPZ-UHFFFAOYSA-N 345.399 1.757 0 40 EDAB CCn1ccnc1[C@@H]1OCCC[C@H]1NS(=O)(=O)c1conc1C 1616038882 WLBRSRGIJGRNSK-DGCLKSJQSA-N 340.405 1.398 0 40 EDAB CO[C@@H]1CCCN(c2ccc(NC(=O)CN3C(=O)CCC3=O)cc2)C1 96122438 TXJJSPMSBHPBRH-OAHLLOKOSA-N 345.399 1.389 0 40 EDAB Cn1ccc(CCNC(=O)N=c2nc(-c3ccccc3)[nH]s2)n1 390833081 BWIKWBGJFDITHJ-UHFFFAOYSA-N 328.401 1.725 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H](Cn2ccnn2)C(C)C)ccc1F 575607870 KQPORNYPTNJMGJ-AWEZNQCLSA-N 326.397 1.729 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ccncc1 585288285 TYGRLWUWRBRGLN-KBXCAEBGSA-N 331.416 1.760 0 40 EDAB Cc1cc(CN2CC[C@@H](Oc3cccnc3)[C@H](CC(N)=O)C2)no1 585269467 VQBPAQRWDZRXIB-CZUORRHYSA-N 330.388 1.523 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1ccccc1OCC(=O)O 585290318 BNIUTQCCIOWECE-UNEWFSDZSA-N 339.388 1.011 0 40 EDAB C[C@@H](C(=O)NCc1nn(C)cc1Br)c1cnn(C)c1 1548454458 FJKLHDKYDGBWIB-MRVPVSSYSA-N 326.198 1.336 0 40 EDAB CCc1cc(CNC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)[nH]n1 72302890 MYMYTJFEKSBQGB-NSHDSACASA-N 325.376 1.503 0 40 EDAB O=C(NCc1cnn(-c2ccccc2)c1)N[C@H]1CCCCNC1=O 45391679 NFEOFRFOURMMAH-HNNXBMFYSA-N 327.388 1.340 0 40 EDAB CCn1cnnc1CNC(=O)NCCOc1ccc2c(c1)CCC2 57268550 DNILZYCGRCSJHW-UHFFFAOYSA-N 329.404 1.665 0 40 EDAB C[C@H](NC(=O)NCc1cccnc1)c1ccc2c(c1)NC(=O)CO2 47597050 MKTQQRGTKXPQMJ-NSHDSACASA-N 326.356 1.973 0 40 EDAB O=C1CC[C@H](C(=O)NCc2ccc(N3CCCCCC3)nc2)CN1 48265758 SVARQRYKALTKDP-HNNXBMFYSA-N 330.432 1.604 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)NCc3cc[nH]n3)cn2)CCO1 48263294 RNCZVTGSIRRQGP-LBPRGKRZSA-N 330.392 1.029 0 40 EDAB CCOc1cc(NC2CCN(c3nccn(CC)c3=O)CC2)ncn1 97147850 BZFOYAOIWRHEJB-UHFFFAOYSA-N 344.419 1.533 0 40 EDAB CCOc1ncnc2c1CN(CC(=O)Nc1nc(C)c(C)s1)CC2 97202425 DWBHPNPEHOUGRJ-UHFFFAOYSA-N 347.444 1.945 0 40 EDAB Cc1nc([C@H]2CCCN2CC(=O)NCCOc2ccc(F)cc2)no1 75573095 CMFORARCXQLICL-OAHLLOKOSA-N 348.378 1.849 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H]3COc4ccccc4C3)CCO2)n1 76044957 PWAUBLMGCYSQMF-HIFRSBDPSA-N 328.372 1.264 0 40 EDAB O=C(OCCN1CCCC1=O)c1ccn(-c2c(F)cccc2F)n1 79023154 PSQLUPLMVRWONS-UHFFFAOYSA-N 335.310 1.930 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC3CC3)n(C)c2)C1 106726705 XITAHIMAOUSOLF-LLVKDONJSA-N 325.434 1.338 0 40 EDAB CCN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3nc(C4CC4)no3)C2)C1=O 95961667 PLVBSEWDUSBXSW-SJKOYZFVSA-N 347.419 1.489 0 40 EDAB Cc1cncnc1N1C[C@@H]2CN(c3cc(=O)n4ccccc4n3)C[C@H]2C1 585616632 MLEYQOOMUVQEPC-GJZGRUSLSA-N 348.410 1.366 0 40 EDAB CC(=O)Nc1cc(C(F)(F)F)ccc1B(O)OC(C)(C)C(C)(C)O 200322253 AHBVJMAEXLVRHI-UHFFFAOYSA-N 347.142 1.917 0 40 EDAB N[C@@H]1C[C@@H]2C[C@H](C(=O)NCC3CCN(CC(F)(F)F)CC3)C[C@H]21 1615616172 IMHAQJDYEGCFHQ-IGQOVBAYSA-N 333.398 1.750 0 40 EDAB CC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CC[C@H]1CC(=O)O 5414941 ZYSGQPTWLIUOPU-RYUDHWBXSA-N 330.406 1.803 0 40 EDAB biogenic,in-vitro CCN(CC)C(=O)N1CCC[C@@H](c2ncncc2S(C)(=O)=O)C1 12128257 LFELVNJGLALBSG-GFCCVEGCSA-N 340.449 1.521 0 40 EDAB CC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 13582508 BSCMWQKELGTPEL-SNVBAGLBSA-N 344.433 1.628 0 40 EDAB O=C(Cn1nc(-c2ccco2)ccc1=O)NC[C@@H]1C[C@@H]2C=C[C@@H]1C2 169680723 YOBAGYOIGXEWRY-MCIONIFRSA-N 325.368 1.832 0 40 EDAB CCOC(=O)c1c(O)c2c(Br)nccc2n(C)c1=O 167528311 PGSLADGSDCIHMS-UHFFFAOYSA-N 327.134 1.578 0 40 EDAB CCc1c(C)nc(-n2nc(C3CC3)cc2NC(=O)COC)[nH]c1=O 12127610 FTBGAZQYVOMIFN-UHFFFAOYSA-N 331.376 1.289 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H](n2cc(C3CC3)nn2)C1 240178548 YZRRFCWREGAXQV-CQSZACIVSA-N 340.383 1.900 0 40 EDAB CC(C)[C@H](Cn1ccnn1)NC(=O)c1ccc(N2CCOCC2)cc1 575616138 JQCPAPWXUIRUAP-KRWDZBQOSA-N 343.431 1.569 0 40 EDAB CCN(CC)c1ccc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)cc1 11151050 FMHDZKMICAGIMA-UHFFFAOYSA-N 345.399 1.287 0 40 EDAB O=C(CCNS(=O)(=O)c1ccccc1)NCCc1ccccn1 6025139 AFDBKTPTKJBSBJ-UHFFFAOYSA-N 333.413 1.109 0 40 EDAB CNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cn(C)c3ncccc23)C1 2056226669 XLSNBJDABXRVBU-APHBMKBZSA-N 328.416 1.299 0 40 EDAB COc1ccc2nnc(CNC(=O)c3c(C)nc4ccccn34)n2n1 253400887 MCHKPZGCKOJBPH-UHFFFAOYSA-N 337.343 1.019 0 40 EDAB CN(c1ncc(Cl)cn1)C1CCN(S(=O)(=O)C2CC2)CC1 1848725350 GLLKZLMIZXGLJA-UHFFFAOYSA-N 330.841 1.523 0 40 EDAB CCS(=O)(=O)C1CN(C(=O)c2ccc(OCC(C)C)nc2)C1 225747275 BTSPHTHTPUKABM-UHFFFAOYSA-N 326.418 1.376 0 40 EDAB Cn1nc(C(=O)NCc2cccnc2-c2cccs2)ccc1=O 225760517 RBOOOGIQCOSXMQ-UHFFFAOYSA-N 326.381 1.834 0 40 EDAB COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)Nc2ccccc2)cc1 75155576 LHIYCNLLJXLEPS-LJQANCHMSA-N 342.395 1.744 0 40 EDAB O=S(=O)(NCCCOC[C@@H]1CCCO1)c1c(F)cccc1F 30498988 PIJNAXBCZBQUKQ-NSHDSACASA-N 335.372 1.829 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2F)o1 31554090 XCLFLTDGJFKNOS-UHFFFAOYSA-N 326.349 1.299 0 40 EDAB CC[C@@H](C)C(=O)NCC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 40556280 KSMFXMXHGPDBLI-LLVKDONJSA-N 329.404 1.985 0 40 EDAB CO[C@]1(C)[C@H](O)C(=O)C(C)=C2OC(=O)c3c(C)cc(O)c(C)c3O[C@H]21 40785330 KMXWTZIYEQGIFH-JFIYKMOQSA-N 348.351 1.550 0 40 EDAB CCOC(=O)N1CCN(C(=S)NC(=O)c2cccs2)CC1 271159 PVTZZDSRAFGBHD-UHFFFAOYSA-N 327.431 1.537 0 40 EDAB CN1CCO[C@H](CNC[C@H](O)COc2cc(Cl)ccc2Cl)C1 69776678 KDOMAGHHMFARFH-QWHCGFSZSA-N 349.258 1.653 0 40 EDAB O=C(NCCN1C(=O)CNC1=O)c1csc(Cc2ccccc2)n1 69742351 QXTSGCFEKWTBEM-UHFFFAOYSA-N 344.396 1.016 0 40 EDAB CNC(=O)c1cccc(CNS(=O)(=O)c2ccc(C)cc2F)c1 69743538 CZMKMBUTCURMGC-UHFFFAOYSA-N 336.388 1.972 0 40 EDAB O=C(NCc1ccoc1)NC[C@]1(N2CCOCC2)CCSC1 47070569 NQBQJXCJTVXZSS-OAHLLOKOSA-N 325.434 1.287 0 40 EDAB CCN(C[C@@H]1CCCO1)S(=O)(=O)Cc1cccc(C(=O)OC)c1 69700520 UMKVOWVBKDYLDP-HNNXBMFYSA-N 341.429 1.804 0 40 EDAB c1nc2c(c(N3CCOCC3)n1)CN(Cc1noc(C3CC3)n1)CC2 97202368 UTYAMTBYCAVAOM-UHFFFAOYSA-N 342.403 1.132 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CC(=O)N(C)Cc3ccc(C)o3)CCO2)n1 76048068 ABJABGCBQHNWII-AWEZNQCLSA-N 333.392 1.046 0 40 EDAB NC(=O)[C@H]1CCC[C@H]1NC(=O)CCNC(=O)c1ccc(Cl)cc1 76088890 DJKKCDCYJRBPOS-QWHCGFSZSA-N 337.807 1.230 0 40 EDAB CN(CCC(=O)NC1CCCC1)C[C@@H]1CCCN1c1cccnn1 78766548 HSICEMPFSDFXKS-INIZCTEOSA-N 331.464 1.826 0 40 EDAB COC(=O)C[C@@H]1CSCCN1C(=O)c1ccc([S@@](C)=O)cc1 78869566 WYRZOZARYXOAIC-IPQOISQHSA-N 341.454 1.545 0 40 EDAB COCCn1ccc2c(C(=O)N[C@@H]3CCS(=O)(=O)C3)cccc21 79490015 KNMRAOMPXWYNTI-GFCCVEGCSA-N 336.413 1.205 0 40 EDAB COc1ccccc1Oc1ccc(S(=O)(=O)NCC(=O)O)cc1 33656944 DZNJJWSFCHVVBA-UHFFFAOYSA-N 337.353 1.850 0 40 EDAB C[C@H](C(=O)NCCCCN1CCOCC1)n1cnc2ccccc21 53450151 FAICGCHTQNKKIM-OAHLLOKOSA-N 330.432 1.826 0 40 EDAB CNC(=O)NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 6056532 JRJIJOBPWJGOPV-ZETCQYMHSA-N 349.170 1.760 0 40 EDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2nncs2)C1=O 22705119 TUTVPYCPISJFGW-CQSZACIVSA-N 349.347 1.083 0 40 EDAB O=C(Cn1nnc2ccccc21)N1CCN(C(=O)c2ccco2)CC1 6652449 QEZPRVMIXUYNLQ-UHFFFAOYSA-N 339.355 1.009 0 40 EDAB COc1ccc(CCC(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)cc1 7694622 IKOCXWAZNVUKDU-OAHLLOKOSA-N 348.399 1.037 0 40 EDAB COc1ccc([C@H]2c3c(C)nnc(O)c3Nc3nnnn32)cc1OC 10298519 RMYDFTFIJXIDPG-ZDUSSCGKSA-N 341.331 1.189 0 40 EDAB CCOc1ccc(OC[C@@H](O)CN2CCC[C@@H]2Cn2cncn2)cc1 69843169 APSLCBGKBKCLKA-CVEARBPZSA-N 346.431 1.581 0 40 EDAB Cc1nn(C)c2cnn(CCNS(=O)(=O)c3ccc(F)cc3)c12 57279775 JGIKJARCJDPZAS-UHFFFAOYSA-N 337.380 1.196 0 40 EDAB CC(CSc1nnnn1C1CC1)CSc1nnnn1C1CC1 69813884 LDCDVMDNQIMYFO-UHFFFAOYSA-N 338.466 1.850 0 40 EDAB CN1C[C@H](NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1=O 69894666 WBFRNMLONZQFNB-SECBINFHSA-N 349.284 1.321 0 40 EDAB C[C@H]1CO[C@H](C)CN1CC(=O)N[C@H](c1ccccc1)c1nccn1C 106146998 DIQGBVDQOUQQKU-HDMKZQKVSA-N 342.443 1.735 0 40 EDAB C[C@H](C(=O)Nc1ccc(NC(=O)NC2CC2)cc1)S(C)(=O)=O 55448495 CTNZXRRSPCEZMS-SECBINFHSA-N 325.390 1.342 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)CCCNC(=O)c1ccc(F)cc1 55980845 YUDZWJWPMKEGQK-UHFFFAOYSA-N 335.379 1.073 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)C1 25439025 UPTSSIUNEJPTEC-ZBFHGGJFSA-N 346.427 1.997 0 40 EDAB CCn1cnnc1CNS(=O)(=O)c1cccc2cc(C)cnc12 56066546 PENFFHIGHFMUFO-UHFFFAOYSA-N 331.401 1.633 0 40 EDAB CC(=O)c1cc(C(=O)N2CCN(Cc3cscn3)CC2)n(C)c1 56249874 IVUKGTLJUWVDCO-UHFFFAOYSA-N 332.429 1.642 0 40 EDAB CCOC(=O)c1sc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C 35163674 FDROZYFRPFDXQS-SECBINFHSA-N 331.415 1.606 0 40 EDAB NC(=O)CN(CC(=O)NCCOc1ccccc1)Cc1ccccc1 69894622 JOUMVKSGGDICJG-UHFFFAOYSA-N 341.411 1.169 0 40 EDAB O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1=CCCCO1 108143404 VGIDNAMMBNWCFO-IRXDYDNUSA-N 330.428 1.680 0 40 EDAB Cc1ccc(N2C(=O)C(=O)N(CC(=O)c3cccn3C)C2=O)c(C)c1 27282400 BLSAFTISCKSKLH-UHFFFAOYSA-N 339.351 1.820 0 40 EDAB CCOC(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]2C[C@@H]1c1ccc2c(c1)OCO2 104103881 GUVZNWNOHODRJR-FIXIBIHLSA-N 333.340 1.108 0 40 EDAB CCC[C@H](C)NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 27555827 FOFOCFNPCFKHJT-RYUDHWBXSA-N 339.461 1.390 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCCS(=O)(=O)c1ccccc1 48279058 ZLEVGUWIQUTTJK-UHFFFAOYSA-N 335.429 1.170 0 40 EDAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1ccc(-n2cncn2)cc1 58161739 YSRVALYCLDDNDL-JCURWCKSSA-N 336.399 1.982 0 40 EDAB C[C@H](NC(=O)NCC(=O)NC1CCCCC1)c1nnc2ccccn12 58227458 NGPFPSUYDHAMLQ-LBPRGKRZSA-N 344.419 1.538 0 40 EDAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)C1 58295108 IETMSMVQPCVROL-XIKOKIGWSA-N 347.390 1.851 0 40 EDAB CN(C)c1ccc(C(=O)N2CCCN(c3nccs3)CC2)cn1 71830813 MULGSVXOHKBPKO-UHFFFAOYSA-N 331.445 1.957 0 40 EDAB O[C@H](CN1CCN(Cc2ccco2)CC1)c1ccc2c(c1)OCO2 44974724 QCOSJUWTSDMHJR-MRXNPFEDSA-N 330.384 1.860 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N(C)Cc2ccccc2)no1 44938605 TYAUOMHTQORIAF-CYBMUJFWSA-N 336.413 1.945 0 40 EDAB CCNC(=O)NC(=O)COc1ccc(C(=O)NC2CCCC2)cc1 58357029 ODASOBHIWAYORA-UHFFFAOYSA-N 333.388 1.584 0 40 EDAB CCN(CC)CCC[C@@H](C)NC(=O)COc1cccc(C(N)=O)c1 58343946 QIHURHGLFYOCGU-CQSZACIVSA-N 335.448 1.791 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CCCN1Cc1ccccc1 58377899 BRZWXGZTMSAWFL-INIZCTEOSA-N 339.443 1.847 0 40 EDAB COC(=O)C(C)(C)NC(=O)Cn1c(S)nnc1-c1ccc(C)cc1 58368801 AGLXEDBWRKRVFF-UHFFFAOYSA-N 348.428 1.610 0 40 EDAB O=C(CN1CCN(C(=O)Cc2ccccc2Cl)CC1)NC1CC1 71804656 CUSQKJJCRALVRT-UHFFFAOYSA-N 335.835 1.305 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)c1ccc[nH]1 24238352 PJYDLCJPNXYNRU-UHFFFAOYSA-N 327.344 1.428 0 40 EDAB Cc1nc(CCNC(=O)N(C)Cc2ccc(C(N)=O)cc2)cs1 45488770 XUEBQGCUBHJTKB-UHFFFAOYSA-N 332.429 1.935 0 40 EDAB Cc1nn(C)c2ncc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)cc12 23749835 APDMOQWFTJZSNM-UHFFFAOYSA-N 337.339 1.860 0 40 EDAB C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)N1CCc2sccc2C1 46243827 GRLOCCWSSFWHDX-YPMHNXCESA-N 342.486 1.046 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)CSc1cnnc(O)n1 11990616 GPQPSVPTGIBVEH-UHFFFAOYSA-N 334.357 1.485 0 40 EDAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1ccc(F)c(F)c1 12852981 RHPHGLNLVHWIKH-UHFFFAOYSA-N 342.323 1.678 0 40 EDAB Cc1cc(Cl)ccc1S(=O)(=O)Nc1cnn(CC(=O)O)c1 38030387 LIUARCIHKVMOIZ-UHFFFAOYSA-N 329.765 1.730 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)cc2)c1 12994543 LSHLFWORYVXRNN-UHFFFAOYSA-N 342.380 1.923 0 40 EDAB N=C(N)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 69947837 HJSIZZLQJCYZGF-UHFFFAOYSA-N 336.392 1.287 0 40 EDAB CCCS(=O)(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306129463 IDZZCCIWIBUVQW-OAHLLOKOSA-N 340.445 1.429 0 40 EDAB CC(C)[C@@H](Sc1nc(N)nc(N)n1)C(=O)NCc1ccccc1 8849629 QICDCBCPXYNQOE-LLVKDONJSA-N 332.433 1.469 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3cnn(C)c3)C2)C1 306131402 KDQVFPYEISSWBF-VUNQQRPYSA-N 334.439 1.839 0 40 EDAB CCn1cnnc1CNC(=O)N1CCN(C)C[C@H]1c1ccccc1 65399423 UZGBZXSQBMAWED-HNNXBMFYSA-N 328.420 1.496 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@H](O)COc1ccccc1)CC2 65458304 HWIHYGXAOVSNNH-AWEZNQCLSA-N 328.416 1.341 0 40 EDAB CCN1CCc2ncnc(N(C)Cc3ccc(C(=O)NC)cc3)c2C1 65520664 CEQRHWUZDXFRTG-UHFFFAOYSA-N 339.443 1.851 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCC2(c3ccccc3)CCOCC2)C1 65518215 OBBSORAIRJIXOY-AWEZNQCLSA-N 331.416 1.252 0 40 EDAB CNC(=O)[C@@H](NC(=O)COc1ccc(C)cc1OC)c1ccccc1 65547651 MNJACPYLQMGSFQ-SFHVURJKSA-N 342.395 1.986 0 40 EDAB O=C1CCC(c2ccc(Cl)cc2)=NN1[C@H]1CCS(=O)(=O)C1 14108989 BXAJKCFXWKQEKZ-LBPRGKRZSA-N 326.805 1.854 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O 14136484 QTNHTORLVRDZLN-SFHVURJKSA-N 343.383 1.972 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N3C[C@H](C)O[C@@H](C)C3)cnc12 14235609 UZDLPEJCUXVMBM-KBPBESRZSA-N 329.400 1.731 0 40 EDAB CCC[C@@H]1NC(=O)N(CC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)C1=O 14736712 MTENUUMBCJKVOG-NSHDSACASA-N 349.387 1.711 0 40 EDAB O=S1(=O)C[C@@H]2NC(=S)N(c3ccc(Br)cc3)[C@H]2C1 6719354 WPOMZPKAPJRDOQ-UWVGGRQHSA-N 347.259 1.309 0 40 EDAB COC(=O)c1c(NC(=O)N(C)CCO)sc2c1CC(C)(C)OC2 6754633 AJYKCKOJLHHOKW-UHFFFAOYSA-N 342.417 1.842 0 40 EDAB CCOC(=O)c1sc(NC(=O)CN2CSCC2=O)nc1C 14866081 PLZMUXIJGUOTAH-UHFFFAOYSA-N 329.403 1.100 0 40 EDAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 6879875 AJZZCOJSRLKXAS-GFCCVEGCSA-N 340.387 1.392 0 40 EDAB CC(C)N(CCN(C)C)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 96005891 JULIAVZCYIWDCZ-UHFFFAOYSA-N 346.435 1.375 0 40 EDAB NC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(C2CC2)n1C1CC1 7550869 ARQMTOFYHNXYLU-GFCCVEGCSA-N 349.460 1.449 0 40 EDAB CCCCn1c(N)c(N(C)C(=O)c2ccc(C)cc2)c(=O)[nH]c1=O 7799574 IBLIATVSQDFPLL-UHFFFAOYSA-N 330.388 1.504 0 40 EDAB Cc1ccc(CN2C[C@H](C(=O)/N=c3/sccn3C)CC2=O)cc1 69101312 CSIYJXBCIOWLLH-IAFNSTAXSA-N 329.425 1.871 0 40 EDAB O=C(NCc1nc(C2CC2)no1)N[C@@H]1CCN(c2ccccc2)C1=O 69105267 QHXIPLFWUDMGNJ-CYBMUJFWSA-N 341.371 1.552 0 40 EDAB C[C@H](O)CN1CCC(CNCc2ccc(-n3cncn3)cc2)CC1 69351292 CNIKWQLGWMZTCP-HNNXBMFYSA-N 329.448 1.450 0 40 EDAB CC(C)C(=O)NCCNC(=O)C(C)(C)n1cc(Br)cn1 69352192 LFGHUQQYROPUFE-UHFFFAOYSA-N 345.241 1.269 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)NCCN2CCCC[C@H]2C)C1 69416570 RRUPJZXBPZHAFW-ZIAGYGMSSA-N 326.441 1.391 0 40 EDAB CCOC(=O)NCCNC(=O)c1sc(-c2ccccn2)nc1C 69455318 DLCMBOBGGVIBDN-UHFFFAOYSA-N 334.401 1.989 0 40 EDAB C[C@H](NC(=O)NCc1ccc(N(C)C)nc1)C(=O)N1CCCC[C@@H]1C 69415880 KLTAAJCHWXASGE-KBPBESRZSA-N 347.463 1.736 0 40 EDAB COc1cc(CN[C@H]2CCc3nc(C)nn3C2)cc2c1OCCO2 69661261 DESJRHFZQTUPGE-ZDUSSCGKSA-N 330.388 1.471 0 40 EDAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCCCNC1=O 96998812 POEGUKJABODEEZ-AWEZNQCLSA-N 342.399 1.031 0 40 EDAB CC[S@](=O)CCNC(=O)c1cc(Cl)c2c(c1)OCCCO2 72283737 OXJKMAQXZCMDGG-OAQYLSRUSA-N 331.821 2.000 0 40 EDAB Cc1ccc(C(=O)CCC(=O)N2CC[C@H](N3CCOCC3)C2)s1 72297652 PEVYCCZGTSSHLI-AWEZNQCLSA-N 336.457 1.953 0 40 EDAB NC(=O)c1cnn(CCOC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c1N 72289703 GMFXOWNHTYDMIL-GHMZBOCLSA-N 332.335 1.050 0 40 EDAB Cc1cnc(N2CCC[C@H](N(C)C)C2)nc1N1CCC[C@@H](N(C)C)C1 84258619 TVIOYQACCORLNZ-SJORKVTESA-N 346.523 1.846 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CC2 97199047 BPNSQSVMHXPRDR-UONOGXRCSA-N 339.399 1.071 0 40 EDAB Cn1cc(-c2nc(C(=O)N[C@H]3CCc4nccn4C3)cs2)cn1 97197893 ASKKGWOUKDONDV-NSHDSACASA-N 328.401 1.485 0 40 EDAB CC(C)(C)c1n[nH]cc1CNCCN1CCN(c2ncccn2)CC1 97159236 GHNBRUHXTWTYPO-UHFFFAOYSA-N 343.479 1.409 0 40 EDAB Cc1c(CNc2cc(NCc3cnn(C)c3C)ncn2)cnn1C 97163642 QFVZLKQGYTWVPM-UHFFFAOYSA-N 326.408 1.785 0 40 EDAB O=S(=O)(NCCc1nc(-c2ccccc2)n[nH]1)N1CCCCCC1 97104208 FFTYSTPOOLELQT-UHFFFAOYSA-N 349.460 1.725 0 40 EDAB CNC(=O)c1cccnc1N1CCN(CCc2cccs2)CC1 95403104 NFEUUTICALEPFN-UHFFFAOYSA-N 330.457 1.867 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)Cc2ccsc2)co1 95439369 MWSIRXUFFWAGBC-SECBINFHSA-N 328.415 1.610 0 40 EDAB C[C@H](C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)n1cncn1 95407066 HJIRPKVLBOVNRY-SNVBAGLBSA-N 331.767 1.771 0 40 EDAB CC(C)[C@H](O)CC(=O)N[C@H](c1ccc(F)c(F)c1)c1ncon1 95981255 YRYAGNFXGQQHHY-TZMCWYRMSA-N 325.315 1.960 0 40 EDAB Cc1cc(C(=O)NC2CCN(Cc3ccn(C)c(=O)c3)CC2)no1 95956414 NMTVUVPWCJMRFG-UHFFFAOYSA-N 330.388 1.076 0 40 EDAB CCc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(COC(C)=O)C=C[C@H]2O1 409307112 RDPFSESCAHRXRE-NNFUDEMPSA-N 341.363 1.625 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)Cn1ccc(-c2ccccc2)n1 75092284 QNSVXIXLPSXZBO-UHFFFAOYSA-N 328.416 1.923 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(N[C@@H]3CCN(C)C3=O)cc2)C[C@@H](C)O1 75093252 HMTNPBSAUGBZHI-DVOMOZLQSA-N 331.416 1.579 0 40 EDAB O=C1CC[C@H](NC(=O)Nc2ncc(-c3ccccc3)s2)C(=O)N1 89851264 ZRLSQUMQGXNBTF-JTQLQIEISA-N 330.369 1.737 0 40 EDAB C[C@H]1CN=C(N2CCN(Cc3nc(=O)c4sccc4[nH]3)CC2)S1 89941287 SWPZMWPMOYEYKK-JTQLQIEISA-N 349.485 1.594 0 40 EDAB C[C@H](C(=O)Nc1nccs1)N1CCC(N2CCN(C)C2=O)CC1 75604114 XYLHNPJUXJOOCP-LLVKDONJSA-N 337.449 1.302 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)NC[C@](C)(O)c1ccccc1Cl 120774509 RAPXSNWZETYUOE-NHYWBVRUSA-N 337.811 1.527 0 40 EDAB O=C(O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1cncc(F)c1 547563258 QOOKIUNVRCNFEV-CYBMUJFWSA-N 342.323 1.334 0 40 EDAB CC(C)OCCOCc1cccc(NC(=O)NCC(=O)N(C)C)c1 62450995 OSRNYGQTITVNSK-UHFFFAOYSA-N 337.420 1.838 0 40 EDAB COC[C@H](C)NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 408677208 ASOYLNLPZHGBSO-ZDUSSCGKSA-N 328.434 1.384 0 40 EDAB COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3ccoc3)CC2)C1 306124909 CBYQJEBUMBNKJB-UHFFFAOYSA-N 345.403 1.753 0 40 EDAB COC(=O)c1ccc(C(F)(F)F)nc1N1CCC[C@H](C(N)=O)C1 516440568 FFRAYIWDYITSCU-QMMMGPOBSA-N 331.294 1.589 0 40 EDAB Cn1cnc([C@H]2CN(C(=O)NCc3cccc(F)c3F)C[C@@H]2N)c1 1553515927 HDAYQEKTMCMCRA-AAEUAGOBSA-N 335.358 1.335 0 40 EDAB CCOC[C@H]1CN(C(=O)N[C@@H](C)c2nnc3n2CCCC3)CCO1 527818081 ASBNQNCCVMOWJW-QWHCGFSZSA-N 337.424 1.122 0 40 EDAB O=C(Nc1nc2ccccn2n1)C1=NN(Cc2ccccc2)C(=O)CC1 182449199 NYCNKBSIQLBDRN-UHFFFAOYSA-N 348.366 1.846 0 40 EDAB O=C(CN1CCn2ccnc2C1)NCCc1nc2ccccc2s1 533403443 LITAYQRJPRXLFJ-UHFFFAOYSA-N 341.440 1.667 0 40 EDAB C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 79352986 NEZKOHZHODONNQ-LBPRGKRZSA-N 344.440 1.761 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CCC(F)(F)F)cc1 79588171 NRVDQOSYGBRVEI-UHFFFAOYSA-N 338.351 1.896 0 40 EDAB Cc1noc([C@H]2COCCN2Cc2ccc(N3CCCC3)nc2)n1 188476612 KGURDJLEMQBANI-OAHLLOKOSA-N 329.404 1.947 0 40 EDAB Cc1ccc(CN(C)C(=O)CN(C)[C@H](C(N)=O)c2cccc(F)c2)o1 79354120 LOBHGGCFNAUYJU-KRWDZBQOSA-N 347.390 1.844 0 40 EDAB Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN2C(CO)CO)n1 72384859 YRWBBVRVDQEICC-CQSZACIVSA-N 344.419 1.117 0 40 EDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc(F)ccc1F 71980086 QQWCTFUNFQREBU-CYBMUJFWSA-N 340.326 1.312 0 40 EDAB CC(C)(C)C(=O)N1CCN(c2ccc(N)cc2-n2cnnc2)CC1 70461823 NNLXBJBTEMJJTI-UHFFFAOYSA-N 328.420 1.544 0 40 EDAB CCN(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)[C@H](C)N 79393117 LLLVOKYNOGOSOM-HOCLYGCPSA-N 333.432 1.841 0 40 EDAB C=C1C[C@]23C[C@H]1CC[C@H]2C1=C[C@H]2OC(=O)[C@@](C)([C@H]1[C@@H]3C(=O)O)[C@H]2O 49601396 NIYWWSSZSAHRIW-TXVGEWSDSA-N 330.380 1.912 0 40 EDAB biogenic,in-vitro O=C(O)Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O 40478806 NGAXQXFVGDYCSN-UHFFFAOYSA-N 349.144 1.405 0 40 EDAB CSCC[C@@H](CO)NS(=O)(=O)c1c(F)c(F)cc(F)c1F 225752948 FETMGFIVYNEHPP-LURJTMIESA-N 347.355 1.635 0 40 EDAB O=C(Cn1cc(COc2ccc(F)cc2)nn1)NCc1ccccn1 227160840 CFOIGDWWNCSHSI-UHFFFAOYSA-N 341.346 1.708 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(c3ncccn3)C[C@H]2O1)NCc1ccco1 96206901 IHHURSLZHIAGID-AEGPPILISA-N 328.372 1.370 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCn2cc(Cn3cccn3)nc2C1 96197351 TZCQQYPZBWCRDD-UHFFFAOYSA-N 339.374 1.852 0 40 EDAB COc1ccc(-n2cc(C(=O)Nc3nncs3)ccc2=O)cc1 96192141 SMPQJJHBXNTYRE-UHFFFAOYSA-N 328.353 1.950 0 40 EDAB Cc1cccc(CN2CC3(CCN([C@H]4CCOC4)CC3)OCC2=O)n1 96201462 IRVGPVZRPXRZKZ-KRWDZBQOSA-N 345.443 1.372 0 40 EDAB CC(C)NS(=O)(=O)[C@H]1CCN(c2nnc(C(F)(F)F)s2)C1 97099708 PSHICAWSLNFOAT-ZETCQYMHSA-N 344.384 1.463 0 40 EDAB CC(C)S(=O)(=O)CCCN1CCCN(C(=O)c2ccc[nH]2)CC1 96467030 SUBJUSUSIAXOMP-UHFFFAOYSA-N 341.477 1.376 0 40 EDAB Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2ccoc2)cn1 96200952 KELPZAJJXSONBT-MSOLQXFVSA-N 330.432 1.531 0 40 EDAB COCCNc1ccnc([C@@H]2COCCN2Cc2nccs2)n1 96220561 IMLFVYBUCPRBCQ-LBPRGKRZSA-N 335.433 1.565 0 40 EDAB CC(C)NC(=O)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1 96228131 FBWFBKUSIGOQBF-UHFFFAOYSA-N 336.480 1.657 0 40 EDAB CCS(=O)(=O)c1ccc(CN2CC[C@H](c3n[nH]c(C)n3)C2)cc1 580406341 MAFRQGGNCUZVAG-AWEZNQCLSA-N 334.445 1.896 0 40 EDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 96246511 FQVJPQLTYHOFLL-SJORKVTESA-N 342.399 1.412 0 40 EDAB Fc1cnc(N2CC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1 96206374 DBHNTJCTCMLVOG-RDJZCZTQSA-N 330.363 1.965 0 40 EDAB COc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1cnccn1)COC3 96112580 NAUHUCXNZHUKFN-NSHDSACASA-N 339.355 1.336 0 40 EDAB biogenic,in-vitro Fc1cnc(N2CCc3nnc(COc4ccccn4)n3CC2)nc1 96259204 OWJNSHQWYVLADT-UHFFFAOYSA-N 341.350 1.244 0 40 EDAB CNC(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 96431285 KYXBNFISMBBCQP-UHFFFAOYSA-N 330.354 1.886 0 40 EDAB CCn1cc(S(=O)(=O)N2CCN(C)C3(CCCCC3)C2)cn1 583651450 MBOHPDTVGQHRKE-UHFFFAOYSA-N 326.466 1.542 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2n[nH]c3c2CCCC3)C1 583619601 FCYFURJYBXEVLN-MFKMUULPSA-N 330.392 1.317 0 40 EDAB CN(CC[C@H]1CCOC1=O)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 583623244 ZSQLPEGIENRJEG-JYJNAYRXSA-N 338.427 1.218 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1 96405649 AOHPPCBNZDABEV-DOMZBBRYSA-N 328.416 1.735 0 40 EDAB O=S(=O)(C1CC1)N1C[C@@H](OCc2ccncc2)[C@@H]2OCCC[C@@H]21 96058143 MXQFIBQDQYZQLK-ARFHVFGLSA-N 338.429 1.322 0 40 EDAB O=C(c1cccc(F)c1)N1CCCn2nnc(Cn3cccn3)c2C1 96259542 DKKSPUFBENJNJG-UHFFFAOYSA-N 340.362 1.708 0 40 EDAB Cn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1ccncc1)C2 96198288 FVCMNSSVVHLILE-INIZCTEOSA-N 326.400 1.981 0 40 EDAB Cc1ccc(CN2CCc3c(C(=O)N4CCOCC4)nn(C)c3C2)o1 96187487 GGQBGKCWMMHNKB-UHFFFAOYSA-N 344.415 1.352 0 40 EDAB O=C(c1cccnc1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 96183417 QBWKOEGRENGFTB-ZWKOTPCHSA-N 338.411 1.592 0 40 EDAB Cc1cnc(C(=O)N2CC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)cn1 96072563 KLGIIQJMYXSEKP-SUMWQHHRSA-N 341.371 1.028 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1nc2ccc(Cl)cc2[nH]1 584906848 VQEIUEVVNYSTBA-DTWKUNHWSA-N 341.820 1.828 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](CO)c2cccnc2)c1 585088157 MUYJGTPZZNCQAE-SUMWQHHRSA-N 328.368 1.901 0 40 EDAB O=C(CO[C@@H]1CSC2(C1)CN(Cc1cccnc1)C2)N1CCCC1 247743250 PIVMYSSMWOZIIQ-INIZCTEOSA-N 347.484 1.781 0 40 EDAB Cc1ncc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cn1 247930149 CFLOKSBTWRUUSU-MJGOQNOKSA-N 344.459 1.636 0 40 EDAB CC(C)(C)CN1CCC[C@@H](N2CC[C@@H](c3cc(O)nc(N)n3)C2)C1=O 585116086 GYZOPTURWMSEQA-TZMCWYRMSA-N 347.463 1.591 0 40 EDAB CCc1nc([C@@H](C)OC(=O)c2ccc(N3CCNC3=O)cc2)n[nH]1 585136246 XQROOAHASSLEQC-SNVBAGLBSA-N 329.360 1.815 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CO[C@H](Cc1cncnc1)C2 257234032 GRUSZZFSVHFPIS-MRXNPFEDSA-N 327.432 1.824 0 40 EDAB Cc1cccc(CN2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)n1 257325355 WSPBTDTYDQGQIT-ZDUSSCGKSA-N 334.445 1.896 0 40 EDAB CCn1ncc(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1F 253399977 KHPYXYBUUDTFRS-UHFFFAOYSA-N 329.353 1.860 0 40 EDAB O=C(Cn1ccnc1)N1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 257304231 SKRAVGDVLMEADG-HOTGVXAUSA-N 333.363 1.453 0 40 EDAB C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 253369819 IKKRSSPJORZFHD-LXTVHRRPSA-N 347.463 1.293 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCN1C(C)C 257326611 WXWORBIKBQZNPA-KRWDZBQOSA-N 342.443 1.378 0 40 EDAB COC(=O)CCNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 265481410 KZXFCHSIQCSYNO-UHFFFAOYSA-N 333.388 1.997 0 40 EDAB C[C@@H](NC(=O)Nc1ccc(OC(F)F)nc1)[C@@H](C)N1CCOCC1 283125205 NEQXFNKBMBFFDS-GHMZBOCLSA-N 344.362 1.914 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)NCc2ccc3occc3c2)cn1C 1622333326 OVHHLFNYRMTBDB-UHFFFAOYSA-N 347.396 1.609 0 40 EDAB C[C@@H](CO)N[C@@H](C)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1616039011 VGKYGMAPPILFLF-QWRGUYRKSA-N 325.413 1.101 0 40 EDAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1Cl 390830657 MMSNJRLAIWQJEE-NSHDSACASA-N 342.790 1.786 0 40 EDAB NC(=O)CC[C@@]1(O)CCCN(C(=O)c2cccc(F)c2Cl)C1 585279221 VNJTULGQNYPGPU-HNNXBMFYSA-N 328.771 1.712 0 40 EDAB O=c1ccc(-c2cccnc2)nn1CC1CN(c2ncc(F)cn2)C1 585605165 TZSNEDZZQHXFEA-UHFFFAOYSA-N 338.346 1.371 0 40 EDAB Cc1ccc(C[C@]2(CO)CN(S(=O)(=O)C(C)C)CCO2)cc1 585276190 MVYMQMGNSJKLCJ-MRXNPFEDSA-N 327.446 1.339 0 40 EDAB CNC(=O)CC[C@]1(OC)CCCN(Cc2cnc(N(C)C)nc2)C1 585276247 FDRUZTFDHLIPFM-QGZVFWFLSA-N 335.452 1.050 0 40 EDAB O=S(=O)(NCC[C@H]1CCOC12CN(Cc1ccoc1)C2)C1CC1 585103016 OECSJVVPMHUJQX-AWEZNQCLSA-N 340.445 1.342 0 40 EDAB C[C@H]1CCCCN1C(=O)CCNC(=O)C(=O)Nc1cccc(F)c1 65620639 RKCQPMQHMONJJE-LBPRGKRZSA-N 335.379 1.672 0 40 EDAB CCOc1nnc(CN2CCO[C@H](Cn3nc(C)nc3C)C2)s1 72253523 JPUNZDTXPFDNSX-LBPRGKRZSA-N 338.437 1.046 0 40 EDAB O=C(Nc1nc(-c2ccccc2)cs1)C(=O)N1CCC[C@H](O)C1 48031906 VSXDARDLUZNUTK-LBPRGKRZSA-N 331.397 1.732 0 40 EDAB C[C@@H](NC(=O)NCc1ccccc1Cn1cncn1)[C@H]1CCCO1 48914726 MELCLXPYTLJPAJ-CZUORRHYSA-N 329.404 1.693 0 40 EDAB COc1cc(CNC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)ccn1 76085267 ALVUPXXKKFWZKL-NSHDSACASA-N 331.420 1.871 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(-c2n[nH]c(C)n2)c1 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0 40 EDAB Cc1nc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nc(O)c1F 1888885505 QJSFQVLAGOPJNC-GHMZBOCLSA-N 338.383 1.933 0 40 EDAB Cc1nc(N2CCN(c3nccnc3C)CC2)cc(-n2cccn2)n1 1889138941 AFGPXUKHNIVGEE-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 8940707 RLUHPIGYFKIRLQ-LLVKDONJSA-N 347.234 1.812 0 40 EDAB Cc1ccc(N[C@@H]2CO[C@]3(CCN(C(=O)C4(F)CCC4)C3)C2)nn1 1565550965 HVIBFTPFGUUHMT-XJKSGUPXSA-N 334.395 1.849 0 40 EDAB CC(C)N(C)CC(=O)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 1565543539 UYYXWHPGFOMQIV-VKJFTORMSA-N 333.432 1.559 0 40 EDAB CCN(C)C(=O)c1cnn2c1CN(C(=O)c1csc(C)n1)CCC2 1565544946 VITYMHCBYAFBBZ-UHFFFAOYSA-N 347.444 1.786 0 40 EDAB COc1ccc(N2C[C@@H](NC(=O)NC[C@@H]3CCCO3)CC2=O)cc1 4373478 CLPNZAMTKWBZMG-WFASDCNBSA-N 333.388 1.279 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 4941474 QETNJRMGIIBXIC-CYBMUJFWSA-N 348.399 1.744 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCCC2)no1 8864202 DMJIJHMLJWRGST-ZDUSSCGKSA-N 348.428 1.936 0 40 EDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2cnn(C)c2C)C1 2055747580 JQYPYWFEGQDGEG-GOSISDBHSA-N 345.422 1.670 0 40 EDAB C[C@H]1CN(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)C[C@H](C)O1 40071758 UVLVONFGPFSEBF-RYUDHWBXSA-N 338.433 1.349 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)N1CCCCCC1 40039888 LECXBNPFEXGVBF-AWEZNQCLSA-N 340.445 1.879 0 40 EDAB CCN(Cc1ccco1)C(=O)CNC1=NS(=O)(=O)c2ccccc21 40498879 RZGOWRHIWDRWRE-UHFFFAOYSA-N 347.396 1.367 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCc1ccccc1F 31732244 RMVFSPZKJYIHKD-CYBMUJFWSA-N 343.424 1.439 0 40 EDAB O=C1C[C@H](C(=O)N2CCOc3ccccc32)CN1CC(F)(F)F 40516259 XXUPRSOANOZANB-JTQLQIEISA-N 328.290 1.823 0 40 EDAB COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)C2)cc1OC 40535603 XSBKEUAHFONGGT-NEPJUHHUSA-N 341.429 1.624 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)N1CCO[C@H]2CCCC[C@@H]21 40553880 QGQIBTLYHFUGCV-HOTGVXAUSA-N 327.384 1.567 0 40 EDAB C[C@]1(C(=O)NCc2ccc(-n3cncn3)nc2)CC1(Cl)Cl 40534729 SJXNXQQVQFTJJT-GFCCVEGCSA-N 326.187 1.862 0 40 EDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc(Cl)o1 31937588 KNJKLVZXAMEVIW-CQSZACIVSA-N 330.837 1.871 0 40 EDAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1nnc2n1CCC2 32059074 LFGAVBUMXSJPKN-GFCCVEGCSA-N 326.400 1.797 0 40 EDAB Cc1n[nH]c(SCc2nc(CC(=O)NCc3ccccc3)no2)n1 32330772 YAKNLIVFUOLGCN-UHFFFAOYSA-N 344.400 1.647 0 40 EDAB COc1ccc(C)cc1[C@H](C)NC(=O)N[C@@H](C)CN1CCN(C)CC1 72270049 STKMBQFVBMCLLA-HOTGVXAUSA-N 348.491 2.000 0 40 EDAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2cccc(-n3cnnn3)c2)CC1 12096402 CMSJBFZNFXUKBV-CYBMUJFWSA-N 343.387 1.466 0 40 EDAB COc1cccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)c1 308991 FLRPWSDIQWWSNJ-UHFFFAOYSA-N 349.412 1.173 0 40 EDAB C[C@H](C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)n1cccn1 41575658 NLDVYGZXANPLML-LLVKDONJSA-N 347.806 1.672 0 40 EDAB CCn1nnnc1NC(=O)c1ccc(OC)c(Br)c1 565677 SOGIFBXLJUEHMK-UHFFFAOYSA-N 326.154 1.716 0 40 EDAB Cc1nn(CC(=O)N(C[C@@H]2CCOC2)C2CC2)c(=O)c2ccccc12 46936242 MBVKLMNXBIKCAY-AWEZNQCLSA-N 341.411 1.732 0 40 EDAB Cc1ncc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C(C)C)n1 76053307 ALWFZBIWBRJWFY-XJKSGUPXSA-N 332.448 1.701 0 40 EDAB COc1cc(C)sc1C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 78900348 UGMMHSCNPGCTIB-SNVBAGLBSA-N 348.428 1.907 0 40 EDAB COC(=O)Nc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)cc1 53595898 QWSBOUMKKNNKAM-CQSZACIVSA-N 345.399 1.740 0 40 EDAB C[C@]1(c2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2)NC(=O)NC1=O 53845962 SBPOIJPCJCMVPV-GOSISDBHSA-N 334.335 1.645 0 40 EDAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)/N=c1/sccn1C 104675438 NSPUTIVDEIPNPN-XZOUCZQKSA-N 342.424 1.743 0 40 EDAB CCCCn1nnc(NC(=S)NC(=O)COc2ccccc2C)n1 8053706 WMFVRSIKHHUUNU-UHFFFAOYSA-N 348.432 1.674 0 40 EDAB CC(=O)N1CCc2cc(C(=O)NCc3nnc4ccccn34)ccc21 23644968 YAOXPWGOGYUNON-UHFFFAOYSA-N 335.367 1.568 0 40 EDAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccn(C)n2)CC1=O 24472774 XELNEFLPKHBTLT-GFCCVEGCSA-N 328.372 1.810 0 40 EDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(N2CCS(=O)(=O)CC2)c1 55463906 LNIFEXHBMQZJHP-ZYHUDNBSSA-N 326.393 1.655 0 40 EDAB O=C(NCC1CC1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 25086568 NAEKJJJRKSFNKM-UHFFFAOYSA-N 331.416 1.695 0 40 EDAB 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O=C1COc2cc(C(=O)N3CCC[C@H](n4cccn4)C3)ccc2N1 69370609 APNFSRZDHXQCJK-ZDUSSCGKSA-N 326.356 1.691 0 40 EDAB CC(=O)N1CCC(C(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1 8313987 GCIXWPVRCMGPHO-UHFFFAOYSA-N 335.379 1.481 0 40 EDAB COC(=O)c1ccc(F)c(NCC(=O)Nc2ccc(C(N)=O)cc2)c1 29982442 ORPISJCAETXUGL-UHFFFAOYSA-N 345.330 1.762 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)ccc1=O 71869863 LXIPSSQSONWCIJ-MRXNPFEDSA-N 344.415 1.304 0 40 EDAB CN(C)CCCNC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 71853819 LGHYWXYQHCFUEH-UHFFFAOYSA-N 342.325 1.363 0 40 EDAB CCn1ccnc1CN1CCN(c2nc(C)nc3c2cnn3C)CC1 69418218 GEYMVKANOWNIHP-UHFFFAOYSA-N 340.435 1.210 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1cc(-c3ccc(F)cc3)[nH]n1)C2 69484777 TXYYZZQCGDGBIO-UHFFFAOYSA-N 326.335 1.772 0 40 EDAB O=C1CSCN1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 69489184 KYHMNWUFVTZXON-GFCCVEGCSA-N 334.397 1.612 0 40 EDAB Cc1cc(NC(=O)CN2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)no1 69421205 FLNCDNHRQREPDH-GXFFZTMASA-N 328.372 1.789 0 40 EDAB Cc1nnc2ccc(C(=O)N3CCC(Nc4cccnn4)CC3)cn12 71863470 BQNGSBSTMXLAQC-UHFFFAOYSA-N 337.387 1.544 0 40 EDAB CN1CCC(NC(=O)NC2CCN(CCc3ccncc3)CC2)CC1 69534575 RJYBRVRPQCUKJM-UHFFFAOYSA-N 345.491 1.482 0 40 EDAB CN1CCN([C@@H](C(=O)NO[C@H]2CCCCO2)c2ccccc2)CC1 69534588 UDGSALYYQCJXHB-DLBZAZTESA-N 333.432 1.550 0 40 EDAB Cc1csc(NC(=O)CS(=O)(=O)NC2CCC(C)CC2)n1 69529434 YZKPGNMVHPABMU-UHFFFAOYSA-N 331.463 1.888 0 40 EDAB CS[C@@H](C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 69569138 PXFKGKBIIARMJD-QMMMGPOBSA-N 346.250 1.993 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N3CCC[C@H](n4cncn4)C3)ccc21 71847076 YPZUEGCTXMMTHU-INIZCTEOSA-N 339.399 1.664 0 40 EDAB COc1cc(C)nc(N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)n1 69661076 MITXIHYXKQQIHA-GFCCVEGCSA-N 344.419 1.937 0 40 EDAB NC(=O)C1CCN(c2ncccc2CNC(=O)NCC2CCC2)CC1 69632532 GNSAEYCELFUYOD-UHFFFAOYSA-N 345.447 1.383 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1nn(C)c(=O)c2ccccc12 69706520 GODMHAQOPIJDBL-HOTGVXAUSA-N 340.427 1.632 0 40 EDAB CCc1nnsc1C(=O)N1CCCN(Cc2nccn2CC)CC1 69708210 UOQNQCJTLCBJNR-UHFFFAOYSA-N 348.476 1.665 0 40 EDAB CCN1CCN(CCNC(=O)c2cc(C)nc3ccccc23)CC1 69770661 YKERZLFBOSGHRL-UHFFFAOYSA-N 326.444 1.911 0 40 EDAB CCCc1cc(NC[C@H]2CCCN2c2cccnn2)n2ncnc2n1 69841502 OHNXUCRNJWQHPB-CQSZACIVSA-N 338.419 1.948 0 40 EDAB O=C(NCC1CCCC1)N1CCN(Cc2noc(C3CC3)n2)CC1 69816772 BPKWETKGSOWVNU-UHFFFAOYSA-N 333.436 1.964 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)NCCC(=O)N(C)C)cc2)CCO1 71920081 WEBMODRQKHSDEQ-ZDUSSCGKSA-N 334.420 1.512 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N[C@H]1CCOc3ccccc31)CC2 69948536 LOLLBTUFPDVLQR-ZFWWWQNUSA-N 341.415 1.131 0 40 EDAB O=C(Cc1cnn(-c2ccccc2)n1)N1CCC[C@H]1Cn1cccn1 69922080 XJYLOOIZTPVEGI-KRWDZBQOSA-N 336.399 1.698 0 40 EDAB CN(Cn1ncn(C)c1=S)[C@H]1CCN(c2ccccc2F)C1=O 71900375 AQVJTGPUJKQFKW-ZDUSSCGKSA-N 335.408 1.785 0 40 EDAB CCc1ccc(CCC(=O)NCC2(O)CCS(=O)(=O)CC2)cc1 72297773 RSCRVBYGPNSCEO-UHFFFAOYSA-N 339.457 1.238 0 40 EDAB CN(C)CCn1ccc(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)n1 72072062 UUDJPIOTBAMJFO-CQSZACIVSA-N 349.479 1.810 0 40 EDAB Cc1noc(C)c1CCCNC(=O)N1CCC[C@@H]1C(=O)NC1CC1 95437009 NHXFVHOTVUIYJT-OAHLLOKOSA-N 334.420 1.677 0 40 EDAB CN(C)c1ccc(Br)c(S(=O)(=O)Nc2nnc[nH]2)c1 95452242 IDECGHJXVUFNPR-UHFFFAOYSA-N 346.210 1.434 0 40 EDAB Cn1cc(N2CCC[C@@H](N3CCN(C(=O)C(C)(C)C)CC3)C2=O)cn1 95401422 YDCAEZQDVNRJHC-OAHLLOKOSA-N 347.463 1.106 0 40 EDAB CC(C)N(Cc1cnn(C)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 95409808 JEQILGPNUFDEPI-AWEZNQCLSA-N 328.482 1.302 0 40 EDAB CC(C)N(C)CC(=O)N[C@H]1CCc2nnc(-c3ccccc3)n2C1 95998184 KQEDTPVSZBGRLN-HNNXBMFYSA-N 327.432 1.716 0 40 EDAB COc1ccc2nc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)ccc2c1 95946962 RUFFOPZWVQSWIW-MRXNPFEDSA-N 334.397 1.550 0 40 EDAB CSCC1(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCC1 95973413 DRPDMKPYDOGSHS-CQSZACIVSA-N 332.535 1.324 0 40 EDAB CC(C)[C@@H]1CN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CCS1 74656303 FBRRCYYPKXRKAU-HOTGVXAUSA-N 342.553 1.653 0 40 EDAB CN(c1ccc(C(N)=O)nn1)[C@@H]1CCCN(Cc2ccccc2)C1 74775182 DOQMENJJCIHFHP-OAHLLOKOSA-N 325.416 1.676 0 40 EDAB Cc1cc(C)c(CNC(=O)CCS(=O)(=O)C2CCCC2)c(=O)[nH]1 75111097 CUWDGFLYUAVURH-UHFFFAOYSA-N 340.445 1.355 0 40 EDAB Cc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c2[nH]ncc2c1 89610701 YGDHRMAFAFDZQY-HZPDHXFCSA-N 328.416 1.543 0 40 EDAB O=C(c1ccccc1-n1cnnn1)N1CCC[C@@H](N2CCCCC2)C1 89809667 WSYNHJDSMFDFAP-OAHLLOKOSA-N 340.431 1.753 0 40 EDAB O=C(NCCc1nccs1)[C@H]1COCC(=O)N1Cc1ccccc1 89834813 FHUXSUGCLVLKLH-CQSZACIVSA-N 345.424 1.229 0 40 EDAB NC(=O)[C@@H]1CCCN1C(=O)c1cnn2c(-c3ccccc3)ccnc12 89851223 HSVXBOVHELWCJV-HNNXBMFYSA-N 335.367 1.486 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cnc2ccccc2n1 36762868 IKLKDNOUYGQAQB-GFCCVEGCSA-N 348.428 1.174 0 40 EDAB CCc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 408648906 CVMADFDWWDWFQQ-RZQILNRJSA-N 343.379 1.928 0 40 EDAB CN(C)C(=O)CN(C)C(=O)c1cc(Br)cnc1N(C)C 79094949 QYOYHYDYSHIMIG-UHFFFAOYSA-N 343.225 1.070 0 40 EDAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 409393427 WMOQORBRRWINNS-CYBMUJFWSA-N 342.461 1.975 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(NCCCOC)c(C(=O)O)c1 217559240 GTQZXBRYAMWBIP-LLVKDONJSA-N 344.433 1.910 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)c2cccnc2S)c1 31747109 NOXBBRZXAPYMOF-UHFFFAOYSA-N 337.426 1.208 0 40 EDAB Cc1noc(CNC(=O)C2CCN(C(=O)c3cc(C)oc3C)CC2)n1 70655665 DBRYAQDLUBXQES-UHFFFAOYSA-N 346.387 1.756 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccccc2)C1 72380365 ZPZXRJGMLLNKEQ-HNNXBMFYSA-N 326.400 1.919 0 40 EDAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nc(N)cc(=O)[nH]1)C2 32074939 QWFDAICAVYVLPF-LLVKDONJSA-N 333.369 1.269 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cc(C)nc([C@H]3CCCN3C)n2)CC1 72387222 HVUJVJLFLKIGSM-MRXNPFEDSA-N 345.447 1.246 0 40 EDAB O=C(/C=C/c1nccs1)N1CCCN(CC(=O)N2CCCC2)CC1 79050165 JJKPWIVYOMGQPM-SNAWJCMRSA-N 348.472 1.313 0 40 EDAB COC(=O)c1ccc(C(=O)NCC[S@](=O)c2ccccc2)nc1 78914645 XBNRUDWPWVMQPF-HSZRJFAPSA-N 332.381 1.406 0 40 EDAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccco1 35349328 FMSVNJWEDDJFCV-WBMJQRKESA-N 327.384 1.115 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCCn2ccnc2)[C@H]1c1cccc(Cl)c1 79359190 JCQQBFVCQQBCTH-GDBMZVCRSA-N 346.818 1.872 0 40 EDAB CN(C)c1nccc(N2CCC(NC(=O)c3ccncc3)CC2)n1 77192601 BSBARYRCFTVVRH-UHFFFAOYSA-N 326.404 1.336 0 40 EDAB CNC(=O)c1ccc([C@H]2CCCN(c3cnccn3)C2)nc1N(C)C 72368880 LURGJERDEXBQPS-ZDUSSCGKSA-N 340.431 1.681 0 40 EDAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 46628936 YWFQZFDXESTHLZ-UHFFFAOYSA-N 328.434 1.306 0 40 EDAB O=C(COc1ccccc1)NCCNc1cc(-n2cccc2)ncn1 75172249 PXJKFVFPLAXOSF-UHFFFAOYSA-N 337.383 1.874 0 40 EDAB Cc1noc2ncnc(Sc3nnc(C4CCNCC4)n3C)c12 192457889 HYTYGPUZRPWIRB-UHFFFAOYSA-N 331.405 1.673 0 40 EDAB CN1CCN(C)[C@@H](CNC(=O)NCCOC2CCCCCC2)C1 195530449 DKJRGFCEKSJLCX-HNNXBMFYSA-N 326.485 1.271 0 40 EDAB CCOCc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OCC 224698523 TXAWTUKNGAWSPH-UHFFFAOYSA-N 334.416 1.959 0 40 EDAB COCCN1CCC[C@H]1CNC(=O)N1CCC=C(Br)C1 225653074 RZAQBYKXAUTCSO-ZDUSSCGKSA-N 346.269 1.791 0 40 EDAB COc1ccccc1C(=O)NCc1nc(-c2ccc[nH]c2=O)no1 225803534 UGYJAUOEZVMYJW-UHFFFAOYSA-N 326.312 1.364 0 40 EDAB O[C@@H]1C[C@@H](c2cccc(F)c2)N(c2cc(N3CCOCC3)ncn2)C1 582800955 GEJWZTIMRXCEQQ-CVEARBPZSA-N 344.390 1.765 0 40 EDAB CCOC(=O)c1cnc(N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)nc1C 585092079 DIVFOOHMYXYCTK-BPLDGKMQSA-N 335.404 1.328 0 40 EDAB CCC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ncccn3)C[C@@H]2C1 96251218 KXMGDRXJJHTQTB-KSSFIOAISA-N 345.447 1.020 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCc2c[nH]nc2C1 332911798 KDTYNJDUULJBEN-VXGBXAGGSA-N 329.408 1.255 0 40 EDAB Cc1ncsc1CN1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCC2CC2)C1 96041127 CUDDJHODWUZHFH-SOUVJXGZSA-N 335.473 1.815 0 40 EDAB Cc1ccc(CN2C[C@H]3[C@H](CC(=O)N4CCOCC4)COC[C@H]3C2)o1 96040843 CLIAOQYVFIVZOA-NUJGCVRESA-N 348.443 1.531 0 40 EDAB O=C1OCc2cc(NC(=O)[C@@H](c3ccccc3)n3cnnn3)ccc21 95474428 PKJAEKXZZVKGOA-OAHLLOKOSA-N 335.323 1.572 0 40 EDAB CCCS(=O)(=O)N1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 96158364 KWOOXVLSGOXXJJ-OAHLLOKOSA-N 342.440 1.648 0 40 EDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)N3CCCC3)C[C@H]21 96054372 YAQZMDQIMITGAH-CVEARBPZSA-N 334.420 1.392 0 40 EDAB COc1cccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)c1 96253199 NKMXNORKHBRYNT-FGTMMUONSA-N 330.428 1.907 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 96042126 MPLPFALYPCCQJB-HRCADAONSA-N 326.356 1.323 0 40 EDAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(Cc1cnn(C)c1)CC2 96201561 IOABUOBTXMBLCA-AWEZNQCLSA-N 332.448 1.412 0 40 EDAB CC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 96185665 DUNQZYXQSKOTBP-RDBSUJKOSA-N 332.433 1.251 0 40 EDAB CCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1 584907975 YRGOCDCFPNWFAR-CYBMUJFWSA-N 339.413 1.807 0 40 EDAB O=C(NCc1nc2ccccc2[nH]1)[C@@H](c1ccccc1)n1cnnn1 95475142 XAZSVPHGJBLPOV-MRXNPFEDSA-N 333.355 1.455 0 40 EDAB O=C(c1cscn1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 96109044 AOYKPXQDSRULDQ-WBMJQRKESA-N 331.397 1.706 0 40 EDAB NC(=O)CC(=O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 585128462 BUJNTKSFXPLGAM-QGZVFWFLSA-N 338.407 1.789 0 40 EDAB COc1ccccc1O[C@H](C)CNC(=O)CCSCC(=O)O 585134452 USULBAOEPUNEIB-LLVKDONJSA-N 327.402 1.787 0 40 EDAB CC[C@](C)(O)CNC(=O)c1c(I)n[nH]c1C 585131875 IURLIFAMWZDNTO-JTQLQIEISA-N 337.161 1.214 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2ccnn21 247953916 NEMZMLLCFCLTCL-MRXNPFEDSA-N 335.367 1.374 0 40 EDAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(Cc3ccsc3)[C@@H]2C1 248003270 ODVCYKDOEOAVCE-XHSDSOJGSA-N 338.473 1.832 0 40 EDAB CC(C)(C)OC(=O)[C@@H]1Cc2nc(Br)sc2C(=O)N1 606241703 FXHVUHGGBDXHNW-LURJTMIESA-N 333.207 1.902 0 40 EDAB Cn1nccc1CCC(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 257292372 QLEUAMDPKLMGOS-SFHVURJKSA-N 343.431 1.875 0 40 EDAB CC(C)c1nccn1CCC(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257295448 QYHZFJPOQGLYBL-JFIYKMOQSA-N 348.491 1.843 0 40 EDAB CCc1nccn1CCC(=O)N1CCO[C@@H](c2cc(O)nc(C)n2)C1 257206344 BCXSJYJTUSFOMY-CQSZACIVSA-N 345.403 1.240 0 40 EDAB O=C(NC[C@H](O)COCC1CC1)c1ncccc1Br 252492130 MDNMXDDSWUSICW-JTQLQIEISA-N 329.194 1.361 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(Cc2ccncc2)C1 257269858 MRRMXYUZTLLHIO-AWEZNQCLSA-N 334.445 1.663 0 40 EDAB O=C1CO[C@H]2CCN(Cc3cccc(Br)c3)C[C@@H]2N1 257226114 FJESHTDNMRWVDS-STQMWFEESA-N 325.206 1.538 0 40 EDAB O=C(c1cscn1)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257298717 RMZJXCGTUPSYRB-LBPRGKRZSA-N 343.412 1.517 0 40 EDAB CC(=O)N1CCN(C(=O)c2c(-c3cccnc3)noc2[C@H](C)O)CC1 253399031 HZSTZHYDKHEHIG-NSHDSACASA-N 344.371 1.094 0 40 EDAB biogenic,in-vitro COc1cc(OC)cc(S(=O)(=O)N2CC[C@@H](C(=O)O)[C@H](C)C2)c1 276099316 IQWWZWRTBXFTEA-QMTHXVAHSA-N 343.401 1.435 0 40 EDAB COC(=O)c1cncc(CNC(=O)[C@@H]2CCc3cccc(O)c32)c1 1615587083 VJNVQCIFQMDMCH-CQSZACIVSA-N 326.352 1.920 0 40 EDAB CCO/C=C/[C@](O)(CNC(=O)NCCC1CC(O)C1)C(F)(F)F 1615587034 AEPWIULERVTIGO-LRPDYTRVSA-N 340.342 1.290 0 40 EDAB CCS(=O)(=O)c1ccccc1CC(=O)N[C@@H]1C[C@H](N)C12CCC2 1615555280 PKDLGXZQUXEIKF-LSDHHAIUSA-N 336.457 1.409 0 40 EDAB COc1cc([C@@H](C)NC(=O)c2ccncc2)ccc1S(C)(=O)=O 1615615203 LSXFKWJKNHHVTH-LLVKDONJSA-N 334.397 1.985 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2ncnc3ccsc23)C[C@H]1C(F)F 1616044937 RCIJWKNJBJCIRI-RNFRBKRXSA-N 327.312 1.729 0 40 EDAB CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)N(C)C)CC1 1616031502 NVUNBABIVBXWMB-INIZCTEOSA-N 332.448 1.033 0 40 EDAB CN(Cc1nc2ccccc2s1)Cc1cc(=O)n(C)c(=O)n1C 24971493 BHVDMJDQNSFQJM-UHFFFAOYSA-N 330.413 1.326 0 40 EDAB CC[C@@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 575421144 GSTIWFQYCLHHOY-DGCLKSJQSA-N 349.449 1.802 0 40 EDAB O=S1(=O)CC[C@@H](NC(=S)Nc2nc3ccccc3s2)C1 575425206 QWUDPORPZVTDMU-MRVPVSSYSA-N 327.456 1.770 0 40 EDAB Cc1ccccc1C(=O)NCc1nc(N(C)C)nc(N2CCCC2)n1 575605272 ISQVOACYRQLUPC-UHFFFAOYSA-N 340.431 1.776 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@H](CNC(=O)c3ccno3)CO2)C1 575404536 NVNJZLDEAAGMPI-JHJVBQTASA-N 333.388 1.068 0 40 EDAB CCN1CCN(C(=O)NCc2ccc(-c3ccoc3)o2)C(=O)C1=O 585148278 VVFUMNJQNUOXGR-UHFFFAOYSA-N 331.328 1.440 0 40 EDAB CCCCc1ccc(NS(=O)(=O)c2cn(C)c(=O)nc2O)cc1 585141728 ZKGPPWFFWJLRRX-UHFFFAOYSA-N 337.401 1.629 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@H]1C 585097438 KDBFGZWLIHTIJK-LALPHHSUSA-N 330.432 1.654 0 40 EDAB CN1CC[C@@]2(CN(C(=O)c3cc(C4CC4)on3)CC(F)(F)C2)C1=O 585093112 CNDBKTBNJCYUCF-OAHLLOKOSA-N 339.342 1.882 0 40 EDAB O=C(C[S@](=O)Cc1nnnn1C1CC1)N1CCCc2ccccc21 69520216 PACIAPMMGOHKRF-DEOSSOPVSA-N 345.428 1.236 0 40 EDAB CCOC(=O)N1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1 32551208 VYRVVOALVQCCDW-UHFFFAOYSA-N 348.371 1.864 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 71871131 NAWZNUYIAZDZOC-OAHLLOKOSA-N 328.416 1.070 0 40 EDAB Cc1ccc(-c2nc(CC(=O)NCC(=O)Nc3cn[nH]c3)cs2)o1 51413766 KYLHERBTDAYQPN-UHFFFAOYSA-N 345.384 1.732 0 40 EDAB Cc1c(NC(=O)c2ccccc2Cn2cncn2)cccc1C(N)=O 74243443 RJGWBFJUFRWPIS-UHFFFAOYSA-N 335.367 1.986 0 40 EDAB Cc1cc(CNC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)no1 89604871 WCWHFMKWCKBRCK-HNNXBMFYSA-N 329.356 1.027 0 40 EDAB Cc1nsc(N2CCN(C[C@H](O)COCc3ccccc3)CC2)n1 89721378 RCPCCDKPQFCLFK-INIZCTEOSA-N 348.472 1.546 0 40 EDAB Cn1ccnc1[C@@H]1CCN(C(=O)c2ccn(CC(F)(F)F)n2)C1 1615590733 PQQJRIBKYXXRAA-SNVBAGLBSA-N 327.310 1.809 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@@]3(CC=CNC3=O)C2)cc1 19557051 OTWAVGXHJPBTJH-INIZCTEOSA-N 336.413 1.500 0 40 EDAB COc1ccc(OCC(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)cc1 4505150 ZRVBCYGSEUTVCA-OAHLLOKOSA-N 327.402 1.110 0 40 EDAB C[C@H]1CCCN(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)C1 6649387 RBRSBXASLIARTL-NSHDSACASA-N 329.356 1.338 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 827887155 IUQMGWUARIGHKQ-KBPBESRZSA-N 340.383 1.944 0 40 EDAB COc1ccnc(N2CCN(c3nc(SC)ncc3C)CC2)n1 1888864259 BIQIMRSGYDVNSV-UHFFFAOYSA-N 332.433 1.632 0 40 EDAB Cc1cccc(N2CCC[C@H](Cc3n[nH]cc3S(C)(=O)=O)C2)n1 1848355556 YWUGQERVXGYPMG-CYBMUJFWSA-N 334.445 1.976 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@H](c3ncon3)C2)cc1C 238873697 NNAAOAQKMGABSF-LBPRGKRZSA-N 337.401 1.955 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(c5ncncc5F)C[C@@H]4C3)n1)CCC2 2086954051 FAZUGFFLNYJHQA-STQMWFEESA-N 340.406 1.775 0 40 EDAB Cc1nc2ccccn2c1C(=O)N1CC[C@@H]2CN(C)CCO[C@H]2C1 1565551789 KLBJTBWQOBWGOO-CABCVRRESA-N 328.416 1.435 0 40 EDAB O=C(COc1cc(=O)n2ccccc2n1)NCc1ccc(F)cc1 23141325 PAEKGCZRBOBWPD-UHFFFAOYSA-N 327.315 1.529 0 40 EDAB c1cnc2ncnc(N3CCCN(c4ccc5nccn5n4)CC3)c2c1 2086867532 XHKGTZIEHATQRF-UHFFFAOYSA-N 346.398 1.784 0 40 EDAB Cc1cc(O[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)nc(C)n1 575608142 DQLUYZZMBJXDIC-AWEZNQCLSA-N 348.428 1.721 0 40 EDAB O=c1ccc(-c2cccnc2)nn1CC1CN([C@H]2CCCC[C@@H]2O)C1 585605669 FSFOPRWEVGFTAE-ROUUACIJSA-N 340.427 1.541 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@]1(O)C=CCCC1 606440388 KGMIUKDLRBYGEX-INIZCTEOSA-N 338.791 1.875 0 40 EDAB Cc1cc(OC2CN(C(=O)c3c(F)cccc3F)C2)n2ncnc2n1 618255592 FWURHXBQSCLNCZ-UHFFFAOYSA-N 345.309 1.614 0 40 EDAB COC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3nccs3)C2)cc1 206808803 ZOVZLAQCADPAGB-CYBMUJFWSA-N 331.397 1.938 0 40 EDAB C[C@](O)(CNC(=O)C(=O)NCc1ccccc1Cl)c1ccccc1 70639773 QFUXOTCHVKEKPV-SFHVURJKSA-N 346.814 1.980 0 40 EDAB O=C(NC1CCN(Cc2nnnn2Cc2ccccc2)CC1)C1CC1 30284713 IRKPXCOBVTWGSW-UHFFFAOYSA-N 340.431 1.212 0 40 EDAB COC(=O)[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc(OC)c(OC)c2OC)N1 20112670 ATQORWOXDFORGB-WCQYABFASA-N 347.371 1.212 0 40 EDAB biogenic Cc1csc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n1 31257434 SQOVDOKVHAMNIU-LBPRGKRZSA-N 330.413 1.511 0 40 EDAB Cc1nc2ccccc2nc1CN1C(=O)N[C@@]2(CCSC2)C1=O 40457388 CKTDJVFHXGDONW-MRXNPFEDSA-N 328.397 1.866 0 40 EDAB CNC(=O)CN(C)C(=O)c1csc(COc2ccc(C)cc2)n1 40475705 PLEXDKPCAHBMJH-UHFFFAOYSA-N 333.413 1.849 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)c1cccs1 40461187 RQAOTGRGONMLNA-UHFFFAOYSA-N 344.440 1.612 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)c2cc(C3CC3)[nH]n2)c1 31746558 ALUWTQVLIBEQCJ-UHFFFAOYSA-N 334.401 1.125 0 40 EDAB CN1CCN(C/C(=C2/N=C(c3ccccc3)OC2=O)N(C)C)CC1 20445571 IESPXOJBGIZSPC-NXVVXOECSA-N 328.416 1.011 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)N2CCC[C@H](C(N)=O)C2)c1C 40512817 CPOCOJSMGVFIGI-AWEZNQCLSA-N 326.400 1.827 0 40 EDAB Cc1cnc2c(S(=O)(=O)N[C@@H]3CCCCNC3=O)cccc2c1 40527155 DLIZRCQIDGVHNA-CYBMUJFWSA-N 333.413 1.490 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 32682849 ZQBBCYKVYRWSQS-GJZGRUSLSA-N 348.447 1.714 0 40 EDAB CCCCNC(=O)CN1CCN(C(=O)c2ccc(OC)cc2)CC1 32731585 XLFGNHPSBRVREN-UHFFFAOYSA-N 333.432 1.369 0 40 EDAB COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)c2cccn2C)cc1 32878808 FVYJRJGJUWQORL-GFCCVEGCSA-N 344.367 1.673 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1CC(=O)N(CC(F)(F)F)C1 33117997 BFQWPZVTGCYNDB-RYUDHWBXSA-N 342.317 1.517 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 76045360 AJHMECUJYRGVEH-MRXNPFEDSA-N 326.400 1.744 0 40 EDAB COc1cccc(-n2nnn([C@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)c1 103001010 SWMDIWLUJASZTA-UHTWSYAYSA-N 334.357 1.062 0 40 EDAB biogenic C[C@@H](c1nnc(-c2ccccc2)o1)N1CCc2nn(C)c(=O)cc2C1 76064738 OOPRSYIRIIHBTL-LBPRGKRZSA-N 337.383 1.950 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccnc3)CCO2)n1 76046733 XOTWKIYDVNBFTJ-ILXRZTDVSA-N 341.415 1.856 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CC1 76044567 CQFARRXXWDCLQI-AWEZNQCLSA-N 332.404 1.869 0 40 EDAB C[C@@H](C(=O)NCCC1=CCCCC1)N1CCc2nn(C)c(=O)cc2C1 76064714 QCECWPFGNNRCAX-AWEZNQCLSA-N 344.459 1.534 0 40 EDAB C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCCS(C)(=O)=O)C1 76069880 AFKSZUGQCUVEOZ-FZMZJTMJSA-N 328.409 1.963 0 40 EDAB CN1N=C(C(=O)NCc2ccccc2OC(F)(F)F)CCC1=O 22191862 ANXABBXQNQLWKT-UHFFFAOYSA-N 329.278 1.810 0 40 EDAB COC[C@H](C)NC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 78876911 SUWAMRGDZDIMEZ-STQMWFEESA-N 330.425 1.554 0 40 EDAB CCn1nc(C)cc1C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 78900147 RMGHFBCXSITNND-LLVKDONJSA-N 330.392 1.053 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)CS[C@@H](C)C2=O)c(OC)c1 2711157 RKULVBLWGVZKMA-VIFPVBQESA-N 338.385 1.133 0 40 EDAB O=S(=O)(c1ccc(F)cc1Br)N1CCC(O)CC1 37574137 RCVKYUHYLOONST-UHFFFAOYSA-N 338.198 1.734 0 40 EDAB CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccn(C)c(=O)c1 103948230 FPTDEYBDRBMYGK-ZDUSSCGKSA-N 337.445 1.063 0 40 EDAB CCN(CC)CCNC(=O)c1c[nH]c2cc(OC)c(OC)cc2c1=O 4861543 WJIBHYFFTRIIMI-UHFFFAOYSA-N 347.415 1.617 0 40 EDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC[C@H]1Cn1cccn1 71866300 LPPIQPRFZINBCK-LBPRGKRZSA-N 341.371 1.336 0 40 EDAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 7688924 TYUDDZMUYQTSRA-UHFFFAOYSA-N 341.429 1.967 0 40 EDAB O=c1[nH]c2ccccc2nc1CN1CCN(c2nccs2)CC1 97201279 ANYCVVDCOXYCQW-UHFFFAOYSA-N 327.413 1.702 0 40 EDAB C[C@@H]1CN(C(=O)CCc2nc3ccccc3c(=O)n2C2CC2)CCO1 54132971 ZNFYDAYQYOUDTO-CYBMUJFWSA-N 341.411 1.911 0 40 EDAB CCC[C@]1(C)NC(=O)N(C[C@@H](O)COc2cccc(C(C)=O)c2)C1=O 51373675 VZTVCCJUUDLYGZ-KDOFPFPSSA-N 348.399 1.740 0 40 EDAB COc1cccc([C@@H](NC(=O)NC[C@H]2CCCO2)c2nccn2C)c1 47594362 TUSTWDNABXQPHY-HZPDHXFCSA-N 344.415 1.996 0 40 EDAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccco1 23268799 UYQUNZKGSBNODE-UHFFFAOYSA-N 337.401 1.848 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)ccc1=O 54703570 XSCPRRNORNICKD-CYBMUJFWSA-N 345.403 1.755 0 40 EDAB CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 100634665 RPEILDMSBKWTGO-IUVQAAGXSA-N 327.380 1.574 0 40 EDAB O=C(CCNC(=O)c1ccco1)Nc1cnn(C[C@H]2CCCO2)c1 43271180 MZDKTHFPVPFMDK-CYBMUJFWSA-N 332.360 1.414 0 40 EDAB Cc1nc(S(=O)(=O)CC(=O)N[C@@H](C)C2CC2)n(CC(C)C)c1C 47961384 PVIRCDIWMHBWQY-LBPRGKRZSA-N 341.477 1.844 0 40 EDAB OCc1nnc2n1CCN(Cc1ccccc1N1CCCCC1)C2 57822822 GQPLFJWEHLQIDG-UHFFFAOYSA-N 327.432 1.777 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NC2CC2)cc1 25301502 VYKPOIGCILDEPJ-OAHLLOKOSA-N 344.415 1.711 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCC(=O)N2CCCc3ccccc32)c1 57269557 SOKKOCJDQOXEAT-UHFFFAOYSA-N 325.368 1.927 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 44329077 LUDMEQLKNCVADH-MRXNPFEDSA-N 329.444 1.508 0 40 EDAB CC(=O)N1CCC(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 12617796 VATRMENVVKAADS-MRXNPFEDSA-N 333.432 1.791 0 40 EDAB C[C@H](CNC(=O)NCc1ccnc(N2CCCC2)c1)N1CCOCC1 48286757 UVHUNPWURWYFDB-OAHLLOKOSA-N 347.463 1.202 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1nc2ccccc2[nH]1 48264354 LYCNBHXICBZCCF-RISCZKNCSA-N 333.413 1.661 0 40 EDAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(N)=O)CC2)no1 27343426 XPOKISOGGRARES-MRXNPFEDSA-N 342.399 1.860 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(C3CC3)C1)CC2 44896266 QLIPRLHPOLRDHS-CQSZACIVSA-N 344.411 1.599 0 40 EDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1cccnc1S 58228634 RECANSJJTVRBEP-AWEZNQCLSA-N 327.409 1.901 0 40 EDAB Cc1nc(C)c(CCC(=O)NCc2ccccc2CN(C)C)c(=O)[nH]1 12771010 QTWJZPADSLKTGF-UHFFFAOYSA-N 342.443 1.697 0 40 EDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 3313487 UXMBYPLNNXTOIS-OAHLLOKOSA-N 341.314 1.947 0 40 EDAB COc1ccc2c(C)c(CC(=O)NCCC(=O)O)c(=O)oc2c1OC 2112647 WGASMZISRZQOHI-UHFFFAOYSA-N 349.339 1.252 0 40 EDAB biogenic COc1ccc([C@H](NC(=O)NC[C@H]2CCCO2)c2nccn2C)cc1 44945741 HPDMAVDTXBZAHX-CVEARBPZSA-N 344.415 1.996 0 40 EDAB Cc1noc(CS(=O)(=O)CC(=O)N[C@H]2CCCc3ccccc32)n1 44938359 ZVCPJVPEUNURLD-AWEZNQCLSA-N 349.412 1.487 0 40 EDAB COc1ccc(OC)c(N2C[C@H](C(=O)N3CCO[C@@H](C)C3)CC2=O)c1 44908715 WZGFRDMSFWGULK-QWHCGFSZSA-N 348.399 1.304 0 40 EDAB CN(C)c1ccc(CNC(=O)NCCc2cn3ccccc3n2)cn1 44914822 YRNGZEXHVPNLIO-UHFFFAOYSA-N 338.415 1.837 0 40 EDAB CCOc1ccc(CN2CCN(C(=O)[C@H](C)n3cncn3)CC2)cc1 44908914 PQJTURDWCPHMDF-HNNXBMFYSA-N 343.431 1.582 0 40 EDAB Cc1cccc(OCCNS(=O)(=O)c2ncn(C)c2Cl)c1 44910682 UIITYRSGHUBQTM-UHFFFAOYSA-N 329.809 1.739 0 40 EDAB CC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1 58343748 UQYMWHAKVWIWIM-UHFFFAOYSA-N 332.791 1.830 0 40 EDAB CNC(=S)Nc1ccc(OC)cc1S(=O)(=O)N1CCCCC1 3335304 LGJCXFQJYZZPPL-UHFFFAOYSA-N 343.474 1.786 0 40 EDAB O=C(Cc1ccc(F)cc1)NCCNC[C@@H]1CNc2ccnn2C1 58308315 SRJJBZYSNCJADF-CQSZACIVSA-N 331.395 1.012 0 40 EDAB Cc1cc2n(n1)C[C@H](CNC1CCN(C(=O)c3ccco3)CC1)CN2 58331252 JQJUVDLZEQWKDS-CQSZACIVSA-N 343.431 1.721 0 40 EDAB COc1cc(CC(=O)N[C@H](C)c2nc(C)no2)cc(OC)c1OC 58344004 KMSXETBKHNTDGN-SECBINFHSA-N 335.360 1.824 0 40 EDAB C[C@H](C(=O)NC[C@H](c1cccs1)N1CCOCC1)n1cccn1 45053856 IKUMOZBDUIDDHH-ZIAGYGMSSA-N 334.445 1.695 0 40 EDAB CCc1cccc(OC[C@H](O)CN2C(=O)[C@@H]3CCCCN3C2=O)c1 58441279 YITSHZIXNGBJOT-ZBFHGGJFSA-N 332.400 1.805 0 40 EDAB Cc1cc2ncn(C[C@@H](O)CN[C@H](C)CN3CCCC3=O)c2cc1C 48345996 LKTLMRWYDCGHKR-CVEARBPZSA-N 344.459 1.615 0 40 EDAB O=C(O)C[C@H](NCc1ccco1)C(=O)OCC(F)(F)C(F)F 2222135 ICTQVPCUINFNAD-QMMMGPOBSA-N 327.230 1.656 0 40 EDAB CCCCNC(=O)NCCNS(=O)(=O)c1ccc(OC)cc1 29723229 CMSHBINARSWSDW-UHFFFAOYSA-N 329.422 1.073 0 40 EDAB O=C(NCCc1cccc2cccnc12)NC[C@@H]1CCS(=O)(=O)C1 48404762 FFYMVCJOCMUYRT-ZDUSSCGKSA-N 347.440 1.511 0 40 EDAB CC[C@@H](C)NC(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 29631922 XUHDMHPALWYWNJ-CQSZACIVSA-N 333.480 1.945 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 2646927 FRYRNSNOSBFZNN-UHFFFAOYSA-N 347.371 1.142 0 40 EDAB c1cnc(N2CCC[C@H](NCc3cnc(N4CCCC4)nc3)C2)nc1 48745264 XYQGFJYLMHCSBP-INIZCTEOSA-N 339.447 1.625 0 40 EDAB CC(C)(C)n1cc(CN2CCCC[C@H]2C(=O)N2CCOCC2)cn1 93015015 BEEAFDRKBNDLNR-INIZCTEOSA-N 334.464 1.851 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 71902958 GXNGEGXJZDUXKF-KOLCDFICSA-N 342.383 1.457 0 40 EDAB CN(C)c1ccc(CCC(=O)N2CCN(c3ncccn3)CC2)cc1 9117970 IBGPXRDKAWGYIT-UHFFFAOYSA-N 339.443 1.824 0 40 EDAB O=C(NCC1CC1)c1cn2c(nc1=O)C[C@@]1(CCN(CC3CC3)C1)C2 306132401 LHQNGSDFNCJHJU-LJQANCHMSA-N 342.443 1.041 0 40 EDAB COCCOc1ccc(NC(=O)NCC[S@@](C)=O)cc1Cl 71911800 KPGNSSLOFAFWJV-NRFANRHFSA-N 334.825 1.865 0 40 EDAB Cc1cccc(OCc2nnc(SCC(=O)N3CCNC3=O)o2)c1 5293888 VFHUHUOXRHPYMB-UHFFFAOYSA-N 348.384 1.601 0 40 EDAB O=C(Nc1ccc(N2CCCCC2)nc1)N[C@@H]1CCS(=O)(=O)C1 65449565 UJFTZEGWPLQLBB-CYBMUJFWSA-N 338.433 1.381 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)[C@H](C)N1CCc2ccccc2C1 71914270 HKLFWDYYCHBFPV-ZDUSSCGKSA-N 347.415 1.212 0 40 EDAB CCN(Cc1ccco1)C(=O)NC1CCN(S(C)(=O)=O)CC1 42323540 CABVWOXHQUWIGI-UHFFFAOYSA-N 329.422 1.235 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3S2)c1 14208238 FLTPTKLNHLOCDQ-CQSZACIVSA-N 334.422 1.990 0 40 EDAB CCn1c(=O)c2sccc2n(CC(=O)N2CCC(C)CC2)c1=O 6678889 JQYQCAXGOPWYRW-UHFFFAOYSA-N 335.429 1.503 0 40 EDAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC(n2ccnn2)C1 96000462 YCMJAPPVKYUBRP-UHFFFAOYSA-N 348.306 1.422 0 40 EDAB Cc1cccc(OCCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 7064900 XQBOKDFSAVSXTC-UHFFFAOYSA-N 328.372 1.211 0 40 EDAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1 15420664 SWYWQHNLPNEZEN-VOTSOKGWSA-N 328.412 1.797 0 40 EDAB C[C@@H]1Cc2ccccc2N1CC(=O)N1CCN(c2ncccn2)CC1 7360035 IKJDWNMAGPRBIT-OAHLLOKOSA-N 337.427 1.576 0 40 EDAB O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc2c(c1)OCCO2 68202120 LDSYAHUBVROWBN-OAHLLOKOSA-N 338.363 1.993 0 40 EDAB O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 7738665 YDHUHCUYXNDLHT-OAHLLOKOSA-N 328.372 1.026 0 40 EDAB CCCn1nc(C(=O)OCc2cc(=O)n3ccsc3n2)ccc1=O 7783500 XWBMBJALKAGKJJ-UHFFFAOYSA-N 346.368 1.080 0 40 EDAB CCOCC1CCN(S(=O)(=O)c2c(C)nn(CC)c2C)CC1 96428008 UCDALGNRSBYLIT-UHFFFAOYSA-N 329.466 1.957 0 40 EDAB COCCOc1ncccc1C(=O)Nc1nnc(C(F)(F)F)[nH]1 69558910 FNBCBTVAURWGAM-UHFFFAOYSA-N 331.254 1.496 0 40 EDAB NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 69623130 YKROCFJFIJCGAD-UHFFFAOYSA-N 326.356 1.936 0 40 EDAB O=S(=O)(C[C@H]1CCOC1)NCCc1coc(-c2ccccc2)n1 69700590 QUYMEPWNEVMQEV-ZDUSSCGKSA-N 336.413 1.840 0 40 EDAB CN(C)C[C@H]1CN(C[C@H](O)c2ccc(Br)cc2)CCO1 69738481 OOORMJLXCZNOGC-GJZGRUSLSA-N 343.265 1.745 0 40 EDAB C[C@H](NC(=O)CN1CCN(C[C@@H](C)O)CC1)c1ccccc1Cl 69843086 XJLPQHHCBVCNKS-KGLIPLIRSA-N 339.867 1.516 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1 69902209 BQBIOROHQMXVIC-ZDUSSCGKSA-N 348.834 1.664 0 40 EDAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCCC[C@@H]1Cn1cncn1 71876266 HUGLPPIZXMYJJV-KGLIPLIRSA-N 332.408 1.846 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)ccc1-n1cnnn1 71866466 PTFCERJZFRLAIS-OAHLLOKOSA-N 337.387 1.472 0 40 EDAB O=C(/C=C/c1cnc(N2CCOCC2)nc1)c1csc(C(=O)O)c1 84338608 IHHBWNSJXLHQOG-OWOJBTEDSA-N 345.380 1.969 0 40 EDAB Cc1cc(NC(=O)c2ccccc2F)n([C@@H]2CCS(=O)(=O)C2)n1 84102039 LZERSPSINDULKZ-LLVKDONJSA-N 337.376 1.943 0 40 EDAB O=C(CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O)N1CCCCC1 97080284 WVMFRJHOJCEHRP-LJQANCHMSA-N 326.396 1.642 0 40 EDAB CN(C)C(=O)CC1CCN(C(=O)N[C@H]2CCC[C@H](N(C)C)C2)CC1 97080547 CJCOIJOGORBDPE-HOTGVXAUSA-N 338.496 1.759 0 40 EDAB O=C(NCCCC(=O)N1CCc2ccccc21)NC[C@H]1CCCO1 72278034 UTHLJUVAMMJYCG-OAHLLOKOSA-N 331.416 1.834 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)C3=NN(C(C)C)C(=O)CC3)C2)n1 72273271 YCSTURDCRZNDKM-AWEZNQCLSA-N 346.435 1.445 0 40 EDAB C[C@H]1CN(CCNCc2cn(C)nc2-c2ccncc2)C[C@H](C)O1 97159994 NDRLPDWPDINECC-GJZGRUSLSA-N 329.448 1.681 0 40 EDAB C[C@@H]1C[C@@H](N2CCN(Cc3ccc4c(c3)OCCO4)CC2)C(=O)O1 84685958 DTDYFNZKAFARDM-UKRRQHHQSA-N 332.400 1.279 0 40 EDAB CCN1CCOC[C@@H]1C(=O)NCc1ccccc1Cn1cccn1 95453088 LDEYRMZGORINPF-QGZVFWFLSA-N 328.416 1.268 0 40 EDAB COc1ccccc1O[C@H](C)CNC(=O)c1cnc(N(C)C)cn1 95456918 CFUDIYSUUWOCTB-GFCCVEGCSA-N 330.388 1.749 0 40 EDAB Cc1cc(Br)cnc1NC(=O)[C@H]1CCS(=O)(=O)C1 95427999 MXGGDZHWKBYOFX-QMMMGPOBSA-N 333.207 1.526 0 40 EDAB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccccc1OCC(=O)O)CC(=O)O2 95477824 GQMHTFWEEPEUOM-NSHDSACASA-N 329.308 1.588 0 40 EDAB C[C@@H]1CCCN(C(C)(C)CNC(=O)CNC(=O)c2cccc(O)c2)C1 95945648 WDDMHHAPLADCOK-CQSZACIVSA-N 347.459 1.749 0 40 EDAB C[C@](O)(CNC(=O)Nc1ccnn1Cc1ccccn1)c1ccco1 95977144 MWNBDCDGWTVRIG-KRWDZBQOSA-N 341.371 1.949 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)c1cnn(C)c1C1CC1)C2 75129147 WWRPAQCQGDNZAV-UHFFFAOYSA-N 326.404 1.352 0 40 EDAB O=C(N[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 89830073 QDVLWETWOFKRPW-VXGBXAGGSA-N 335.347 1.711 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)c2nc3nccc(C)n3n2)C12CCCC2 89986133 BOFFISDDPHWFRB-STQMWFEESA-N 329.404 1.900 0 40 EDAB Cn1nnnc1SCC(=O)Nc1ccccc1OCC(F)(F)F 25054739 OVMODHMLZPVWIG-UHFFFAOYSA-N 347.322 1.882 0 40 EDAB Cc1ccnc(N2C[C@@H]3CN(C(=O)c4cnns4)C[C@]3(C)C2)n1 1052215842 PJTCHSKNOOICOH-XHDPSFHLSA-N 330.417 1.235 0 40 EDAB COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(Cc2conc2C)C1=O 521395201 ZBOFMJSKAWITMG-KRWDZBQOSA-N 327.340 1.885 0 40 EDAB NC(=O)CN1CCO[C@H](COc2cccc(Br)c2)C1 217497802 NDOVEIUEQNNUCD-LBPRGKRZSA-N 329.194 1.014 0 40 EDAB Cc1ccc(CCC(=O)N2CC(CN3C(=O)CCC3=O)C2)cc1F 675008296 PFBJJWWAQIUNCI-UHFFFAOYSA-N 332.375 1.674 0 40 EDAB Cc1cc(C)c2c(c1)N(S(=O)(=O)c1cnn(CC(=O)O)c1)CCC2 564918751 FSEUDHHUEDNGID-UHFFFAOYSA-N 349.412 1.726 0 40 EDAB C/C=C/C(=O)Nc1ccc(-n2nnc(C(=O)NC3CCCC3)n2)cc1 71002852 PBJHQTJIDRLZCK-GORDUTHDSA-N 340.387 1.849 0 40 EDAB O=C(NCc1cccnc1OCC(F)(F)F)NCC1CCNCC1 565587916 QPMKZKXVZPSFJC-UHFFFAOYSA-N 346.353 1.822 0 40 EDAB O=C(Cn1cc(COc2ccc(F)cc2)nn1)NCCc1ccco1 227161321 XXJGVNUTAMRGGU-UHFFFAOYSA-N 344.346 1.948 0 40 EDAB CS(=O)(=O)N[C@@H](CC(=O)NCc1ccco1)c1ccc(F)cc1 225945188 PEDSBVFGLSJOQX-AWEZNQCLSA-N 340.376 1.716 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@H]1c1ncn(Cc2ccccc2)n1 225454532 ZJADXWIQVYNIRD-HNNXBMFYSA-N 348.428 1.192 0 40 EDAB CC(C)N1CCC(O)(c2csc(CN3CC[C@@H](O)C3)n2)CC1 225465367 ITAFOALZPMRTDY-CYBMUJFWSA-N 325.478 1.402 0 40 EDAB biogenic,in-vitro Cc1nc2c([nH]1)CC[C@@H](C(=O)NC[C@H]1COc3ccccc3O1)C2 225522538 HIAFUIPIJSFMKK-OLZOCXBDSA-N 327.384 1.779 0 40 EDAB COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)NC[C@@H](C)Cn1cccn1)C2 225457975 AWJZEEOTHUHKDP-IIDMSEBBSA-N 348.447 1.894 0 40 EDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCc1ccccn1 96223457 SISMHXYSNCAUQO-AWEZNQCLSA-N 342.355 1.192 0 40 EDAB COc1ncnc2c1CN(C[C@H](O)COc1cc(C)ccc1C)CC2 97202077 ZTDPFKIYTNYEOL-HNNXBMFYSA-N 343.427 1.900 0 40 EDAB COC(=O)[C@@H]1C[C@@H]2c3ccc(O)cc3N(C(C)=O)[C@H]2N1C(=O)OC 95936515 KBAAHMQZNNBUBY-XBFCOCLRSA-N 334.328 1.182 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)N[C@H]3CCN(C)C3=O)cc2F)n1 96415816 DWWKLUHHGNKSBP-AWEZNQCLSA-N 345.378 1.980 0 40 EDAB CC(C)OCCS(=O)(=O)N1CCN(Cc2cccs2)CC1 96444900 MHHBAQKNMVKITD-UHFFFAOYSA-N 332.491 1.621 0 40 EDAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)NCc4ccco4)O[C@@H]3C2)nn1 96043020 YBXWXTIPDRFMKA-CWRNSKLLSA-N 342.399 1.678 0 40 EDAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)N1CCN(Cc2ccon2)CC1 96439667 GULKSSYUHXPNQO-HOCLYGCPSA-N 336.436 1.850 0 40 EDAB CO[C@@H]1COC2(CCN(S(=O)(=O)c3ccccc3F)CC2)C1 96206816 CXFMKCCLXCUMDT-LBPRGKRZSA-N 329.393 1.784 0 40 EDAB CCOc1ncccc1C(=O)N1CC[C@@](O)(c2cn(C(C)C)nn2)C1 583618830 PXTZNWMJZRVREG-KRWDZBQOSA-N 345.403 1.386 0 40 EDAB C[C@@H](CCO)CNC(=O)c1cn(-c2cccc(Cl)c2F)nn1 96494174 HMHDVVYGTDAPBT-VIFPVBQESA-N 326.759 1.808 0 40 EDAB Cc1cc(C)cc(-n2ncc(CNC3CCN(C(N)=O)CC3)n2)c1 97237232 PPOTXEYRFDZUNL-UHFFFAOYSA-N 328.420 1.517 0 40 EDAB C[C@@H]1CN=C(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)S1 96449190 JAYREQDFBUKVIL-LLVKDONJSA-N 349.485 1.365 0 40 EDAB CC(C)c1ocnc1CN1CCN(c2ccnc(N(C)C)n2)CC1 92797561 HFURVAQYBUTANW-UHFFFAOYSA-N 330.436 1.976 0 40 EDAB Cc1nsc(N2CCCN(C(=O)NCCN(C)C(C)C)CC2)n1 96439891 CTPHJPQXJAZQGZ-UHFFFAOYSA-N 340.497 1.408 0 40 EDAB O=C([C@@H]1CCOC1)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159747 BHOSNBSUUOQPHA-DNVCBOLYSA-N 346.402 1.813 0 40 EDAB CO[C@@H](C)c1noc(CN2CCCN(Cc3ccccn3)CC2)n1 96455926 JJVNBWRCWUAFFW-AWEZNQCLSA-N 331.420 1.880 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccco1)C2 96237710 MXKJYWRPMWPXGX-IBGZPJMESA-N 339.395 1.843 0 40 EDAB CO[C@@H](CNS(=O)(=O)c1c(C)nn(C)c1C)c1cccc(F)c1 96388589 XKBGXHCTONSVHM-AWEZNQCLSA-N 341.408 1.842 0 40 EDAB COc1ccc(CCC(=O)N2CCN(C[C@@H](O)C3CC3)CC2)cc1 85436672 GFSBJHQFLDJFQX-GOSISDBHSA-N 332.444 1.543 0 40 EDAB COC(=O)[C@]1(NC(=O)COC(C)C)CCCN(Cc2ccccc2)C1 584907874 ZIFYVCCWUYHDJN-IBGZPJMESA-N 348.443 1.735 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CC(C(F)(F)F)=NO1 585088347 XHAMNFOYOMYXNP-MRVPVSSYSA-N 339.314 1.725 0 40 EDAB COC(=O)c1cnc(NC[C@H](c2cccs2)N2CCCC2)cn1 585092533 CULKRNIAYKWIMD-CYBMUJFWSA-N 332.429 2.574 0 40 EDAB CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(OC(C)C)nc1 585115064 KUBJUOXTVSLDGZ-ZYHUDNBSSA-N 334.463 1.260 0 40 EDAB CCO/C=C/[C@@](O)(CNC(=O)N[C@H](CC)COC)C(F)(F)F 585137166 LABOTIZECHSQPS-PWBFPFQSSA-N 328.331 1.554 0 40 EDAB C[C@@H](CC(=O)N1CCN(c2nc[nH]n2)CC1)Cc1cccc(F)c1 585127072 PIECYOUJVOQZJV-CYBMUJFWSA-N 331.395 1.861 0 40 EDAB Cc1cc(S(=O)(=O)NCC2(C)OCCO2)cc(C(=O)O)c1Cl 585122044 LLYCYMVXGYEXNW-UHFFFAOYSA-N 349.792 1.388 0 40 EDAB CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]2[C@]2(C3)NC(=O)NC2=O)CC1 585131701 DGWYBKHIEYZUIM-ZWBJBQOGSA-N 333.432 1.649 0 40 EDAB O=S(=O)(Nc1cccc(O)c1Br)N1CCOCC1 585118844 DZWMHXOCKYZWAO-UHFFFAOYSA-N 337.195 1.144 0 40 EDAB Cc1cccnc1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257308011 TVBZZPXBNCBJGG-MRXNPFEDSA-N 339.386 1.698 0 40 EDAB O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 585655926 AXNIAYWDUDUJDD-UHFFFAOYSA-N 345.852 1.814 0 40 EDAB O=C(c1cccc(F)c1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257263115 LOMGFBJJAYVCOM-ZIAGYGMSSA-N 328.334 1.742 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)nc(C)n1 257337291 YSERGEYJZMFQLK-HNNXBMFYSA-N 327.388 1.519 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)c3cc(C)cs3)CC2)OC[C@]1(C)O 257212855 CFFQDSBLAOTVLS-HOCLYGCPSA-N 338.473 1.791 0 40 EDAB COCCN1CCC(c2cc(N3C[C@H](C)OC3=O)nc(C)n2)CC1 257203421 APZDWJIDBPZTIW-LBPRGKRZSA-N 334.420 1.956 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCOC[C@H]1CCc1cnccn1 257213618 CIJHMXBXCKXRKU-MRXNPFEDSA-N 344.415 1.874 0 40 EDAB O=C(C(c1ccccc1)c1ccccc1)N1CC(N2C(=O)CNC2=O)C1 253473809 YSIJAKVDBDETDY-UHFFFAOYSA-N 349.390 1.581 0 40 EDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cnn(C)c2C)c1 257217687 DADDLKVACJYAAS-KRWDZBQOSA-N 327.432 1.235 0 40 EDAB Cc1ccc(C2=NO[C@@H](CNC(=O)NCCn3ccnc3)C2)cc1C 252494202 NOFYHYXVMVLDEL-MRXNPFEDSA-N 341.415 1.992 0 40 EDAB CCS(=O)(=O)N1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)CC1 257317614 VKMSKIUVMRSFJF-IRXDYDNUSA-N 338.473 1.220 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257279926 OITMYTGZMTXRLO-HNNXBMFYSA-N 347.346 1.609 0 40 EDAB Cc1cnc(C(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)cn1 257286247 PKWWSRSPACAWIC-KRWDZBQOSA-N 345.378 1.080 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(Cc2cscn2)C1 257220456 DKWWOEXUJYUOAI-JTQLQIEISA-N 326.447 1.649 0 40 EDAB NC(=O)c1ccc(C(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)cn1 608006755 NQWNQXWYAPYSBC-LBPRGKRZSA-N 341.371 1.461 0 40 EDAB O=C(c1nnc(NC2CC2)o1)N1CC[C@@](O)(c2ccc(F)cc2)C1 1616039889 XVOYWPSLJXTXNE-INIZCTEOSA-N 332.335 1.517 0 40 EDAB CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N[C@H]2CNC(=O)C2)c1 390835015 AWXBURWJHGWZCD-SNVBAGLBSA-N 339.779 1.915 0 40 EDAB COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCC[C@H](C3(C)OCCO3)C2)C1 390835062 BZWRIQIQZPUVOF-MELADBBJSA-N 340.420 1.513 0 40 EDAB CCCCC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccncc3)[C@H]2C1 575404491 NHQDOVQVUOXPHM-ARFHVFGLSA-N 331.416 1.475 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575402760 GUXJJAAGGOULMM-AWEZNQCLSA-N 342.424 1.789 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 575402723 GCPDGOCGKIBTJC-LLVKDONJSA-N 346.387 1.790 0 40 EDAB COC[C@@]1(CC(N)=O)CN(C(=O)c2c(F)cccc2Cl)CCO1 585279597 VXOHBJFQIOLVLE-OAHLLOKOSA-N 344.770 1.212 0 40 EDAB NC(=O)CN1CCC(NC(=O)Nc2nc3ccccc3s2)CC1 46918791 OWWYRSLLMFOMGA-UHFFFAOYSA-N 333.417 1.368 0 40 EDAB C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CCc2ccccc2C1 75132908 SLMXYIYSVRJNMM-BBRMVZONSA-N 325.416 1.156 0 40 EDAB O=S(=O)(c1cccs1)N1CCC(N2CCC[C@@H]2CO)CC1 96099738 OCDNMKIRJKEEDU-CYBMUJFWSA-N 330.475 1.358 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)C2CCN(c3ncccn3)CC2)no1 76043639 NQYPXPXKGRBLBL-AWEZNQCLSA-N 342.403 1.748 0 40 EDAB C[C@@H](CNC(=O)NCC(=O)N1CCCCC1)N(C)Cc1ccccc1 78924997 CPSTWWSRWHJNRS-INIZCTEOSA-N 346.475 1.819 0 40 EDAB Cc1nc(C)c(CN2CCCN(S(=O)(=O)C3CC3)CC2)s1 575817654 FIWQXQKXNURHHP-UHFFFAOYSA-N 329.491 1.760 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O 5000102 JGNYODQRSWJBFX-UHFFFAOYSA-N 341.411 1.707 0 40 EDAB Cc1cc(=O)nc2s/c(=C\c3ccc(Br)cc3)c(=O)n12 5922125 NXGWLQGTKULFKI-XFFZJAGNSA-N 349.209 1.735 0 40 EDAB Cc1nc[nH]c1CN1CCc2nc3scc(C)c3c(=O)n2CC1 12088368 LNDLSEBNEWFASF-UHFFFAOYSA-N 329.429 1.856 0 40 EDAB Cn1ccnc1C1(O)CCN(C(=O)c2ccc3nc[nH]c3c2)CC1 12114470 FTPKTKLDSRLHIF-UHFFFAOYSA-N 325.372 1.420 0 40 EDAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccncc2)n2nnnc2N1 13123693 MVDHIDVDMAXJRY-CQSZACIVSA-N 334.343 1.391 0 40 EDAB CCN1CCN(C(=O)c2cnc3nc(C(F)(F)F)nn3c2C)CC1 14608471 BREADLZZKOQUEY-UHFFFAOYSA-N 342.325 1.229 0 40 EDAB CCOC(=O)[C@@H]1Nn2c(C)nnc2S[C@@H]1c1ccc2c(c1)OCO2 16776912 BXWPTWVYERPFEN-CHWSQXEVSA-N 348.384 1.637 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)n1nc(-c2cccs2)cc(N)c1=O 19080042 IVXHGODDSVCAEM-MNOVXSKESA-N 348.428 1.410 0 40 EDAB CNc1cc(C(=O)N2CCC[C@H]2c2cc(CN(C)C)n(C)n2)ccn1 19710063 ITBVMBPBRVTQPM-INIZCTEOSA-N 342.447 1.896 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)/C=C/c2ccc(Cl)cc2F)[C@@H]1O 643586224 KVFFEVBHICEPAA-SHONRNSVSA-N 343.782 1.725 0 40 EDAB COCC(=O)NC1CCN(CC2(c3ccc(OC)cc3)CC2)CC1 19593010 ZFIOWYIIEIYXFU-UHFFFAOYSA-N 332.444 1.954 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H]1c1cccnc1 583619541 KRLPITVIYBVFTJ-DOMZBBRYSA-N 332.791 1.775 0 40 EDAB Cc1cccc([C@H](CNC(=O)N2CCOCC2)N2CCOCC2)c1 36097566 VCLWAXIPVGGPMW-KRWDZBQOSA-N 333.432 1.410 0 40 EDAB Cc1noc(C)c1CC(=O)N1C[C@@H]2CN(c3cnccn3)C[C@@H]2C1 1888863484 BYHIPWQDWBAVPO-OKILXGFUSA-N 327.388 1.219 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(S(=O)(=O)N(C)C)C3)nc1 1888875710 HZFCQQJZEVRAEQ-DZGCQCFKSA-N 340.449 1.072 0 40 EDAB COc1cccc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1 1888904361 DXBXEUPJOQIMMO-UHFFFAOYSA-N 336.399 1.998 0 40 EDAB CSCC[C@@H](O)CNC(=O)CCc1ccc(S(C)(=O)=O)cc1 1888911978 YDRDCYGQYITRIS-CYBMUJFWSA-N 345.486 1.253 0 40 EDAB C[C@@H]1CN(C[C@H]2C[C@@H]3CCN(c4ncccn4)C[C@@H]3O2)C[C@@H](C)O1 2056225082 BCRFXBLKEDTGMX-UUAJXVIYSA-N 332.448 1.570 0 40 EDAB CC(C)S(=O)(=O)N1CCN(c2nc3cnccc3s2)CC1 2086934239 UWZAUFGNRKCOQM-UHFFFAOYSA-N 326.447 1.552 0 40 EDAB CC(C)N(C)C[C@@H]1CN(C(=O)c2csnn2)Cc2nccn2C1 1565542718 JXEWVPZFPGQNII-LBPRGKRZSA-N 334.449 1.347 0 40 EDAB C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23 3881909 BTHCJHQOYFUIMG-REYNEDSXSA-N 337.416 1.273 0 40 EDAB biogenic,in-vitro COc1cccc(C(=O)NCCS(=O)(=O)N2CCC(C)CC2)c1 5272931 GSATYBHTENAMNA-UHFFFAOYSA-N 340.445 1.487 0 40 EDAB Cn1c(=O)c2c(NC(=O)c3cccc(Cl)c3)ccnc2n(C)c1=O 13011013 UYEMTJXHTPFNQS-UHFFFAOYSA-N 344.758 1.538 0 40 EDAB O=C(CN1CCc2onc(COc3cccnc3)c2C1)N1CCCC1 2055713782 KWCSLJQKLGTJFI-UHFFFAOYSA-N 342.399 1.629 0 40 EDAB COc1ccc(CN2CCC[C@@](C(=O)N(C)C)(n3ccnc3)C2)cc1 2055771678 QOOLYXZPSWBLQQ-LJQANCHMSA-N 342.443 1.971 0 40 EDAB O=C(N1CCC1)C1(n2cccn2)CCN(Cc2ccccn2)CC1 2055772681 OOPRPLZDBFUCOE-UHFFFAOYSA-N 325.416 1.502 0 40 EDAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC4(C3)CC4(F)F)cc21 1775972230 DQSVQVNGAMVSSC-UHFFFAOYSA-N 330.312 1.161 0 40 EDAB CSC[C@@](C)(O)CNC(=O)C(=O)NCc1ccc(Cl)cc1 75157338 HUALUJZFVPHIHZ-AWEZNQCLSA-N 330.837 1.186 0 40 EDAB CSCC[C@](C)(O)CNS(=O)(=O)c1ccc(F)c(F)c1 75157558 NGRNLGVNXZLXJR-LBPRGKRZSA-N 325.402 1.747 0 40 EDAB CN(C(=O)CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 40529158 VRNDZXPMVNKUIA-LBPRGKRZSA-N 331.821 1.754 0 40 EDAB COc1cc(NC(=O)c2nccnc2C(=O)O)c(C(C)=O)cc1OC 32103603 OCEIZFBIUUUKPR-UHFFFAOYSA-N 345.311 1.647 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)s1 32865710 SLQMUEMLQSECJI-UHFFFAOYSA-N 344.483 1.919 0 40 EDAB CC1=NN(c2ccc(C(=O)C3C(=O)N(C)C(=O)N(C)C3=O)cc2)CC1 102578607 FMJHOTCGXRYIFB-UHFFFAOYSA-N 342.355 1.122 0 40 EDAB Cc1nn(C)c(C)c1CCNS(=O)(=O)c1cc(F)c(F)cc1F 71858784 ZWIDZSOFKLHQCN-UHFFFAOYSA-N 347.362 1.975 0 40 EDAB CC(=O)Nc1cccc(C(=O)N2CCN(Cc3ccccn3)CC2)c1 33236946 YBGQUYMQRWOVDF-UHFFFAOYSA-N 338.411 1.998 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)C1CCN(S(C)(=O)=O)CC1 47009596 JQIPCBUCPIOACU-ZFWWWQNUSA-N 346.493 1.370 0 40 EDAB C[C@@](O)(CNc1cnc2cc(F)c(F)cc2n1)CN1CCOCC1 78343539 LQYXYSZAEKZSIY-MRXNPFEDSA-N 338.358 1.403 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCCO 97219716 HJLVKMGNKRPIKC-LBPRGKRZSA-N 326.780 1.062 0 40 EDAB Cc1ccccc1NC(=O)[C@@H](C)[S@@](=O)Cc1nnnn1C1CC1 78556158 YELUQIVMNYAROZ-QVQLBTGDSA-N 333.417 1.592 0 40 EDAB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(N(C)C)nc1 78724213 DGTJXLUXBAVSIJ-KRWDZBQOSA-N 347.507 1.636 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2nn3cccnc3c2Cl)CC1 2790228 DSTUVRHIPSWLTD-UHFFFAOYSA-N 337.767 1.297 0 40 EDAB C[P@](=O)(c1nccn1-c1ccc(N2CCCC2)nn1)N1CCCC1 3193151 VDJICPGXBCFMHH-DEOSSOPVSA-N 346.375 1.892 0 40 EDAB COc1cc([C@H]2[C@H]3[C@@H](NC(=O)N2C)N(C)C(=O)N[C@@H]3C)ccc1O 4026519 MARUVGFEWOBMAJ-AIUZOBBOSA-N 334.376 1.083 0 40 EDAB biogenic Cc1noc(C)c1S(=O)(=O)NCc1cnn(-c2ccccc2)c1 22475544 BZBGIVHZLPCKGT-UHFFFAOYSA-N 332.385 1.956 0 40 EDAB COc1cc2c(cc1O)CCN(C(=O)CSc1nncn1C)[C@@H]2C 4480316 WUELXANXFPEWBN-SNVBAGLBSA-N 348.428 1.767 0 40 EDAB biogenic C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)NC1CCCCC1 22519764 PFIDIELFKTYDLK-GFCCVEGCSA-N 343.387 1.657 0 40 EDAB COC(=O)C[C@@H]1CCCCN1CC(=O)NCCc1ccc(F)cc1 54394549 ZYFSEPQRSLCCAZ-INIZCTEOSA-N 336.407 1.902 0 40 EDAB COc1ccc(CN2CCN(C(=O)CCn3cncn3)CC2)cc1F 23748087 XNLZGFKOGCRLPW-UHFFFAOYSA-N 347.394 1.160 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102081321 HWYZOLTUJQNTFA-CNGUFQHNSA-N 336.391 1.987 0 40 EDAB O=S(=O)(CCc1ccccc1)NCCc1n[nH]c(-c2ccco2)n1 71914068 KDQVPNVXQFKXMQ-UHFFFAOYSA-N 346.412 1.769 0 40 EDAB CC1(C)S[C@H]2[C@H](NC(=O)/C=C\c3ccccc3)C(=O)N2[C@@H]1C(=O)O 104310912 PESMSDATOHZVBN-MSVZNIHFSA-N 346.408 1.332 0 40 EDAB Cc1nc(C(F)(F)F)ccc1C(=O)NCc1nnc2n1CCC2 24861172 KSFKMSMXQTYGLP-UHFFFAOYSA-N 325.294 1.877 0 40 EDAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc(-n2cncn2)cc1 106762308 DTKCYVDCAKIGAX-MELADBBJSA-N 339.399 1.758 0 40 EDAB COc1ccc(F)cc1CN1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 107058330 UBDIFEDVGZYHBE-RDTXWAMCSA-N 349.450 1.819 0 40 EDAB CN(C)c1ccc(CCCNC(=O)Cc2nc3ncccn3n2)cc1 56890062 SAMOXNRWSRHPEJ-UHFFFAOYSA-N 338.415 1.482 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cnc2sccn2c1=O 24994737 XRQLGKIFFLZHDB-NSHDSACASA-N 329.385 1.297 0 40 EDAB CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cccs2)c1 12521293 PIHPZEJWSOVSRI-UHFFFAOYSA-N 332.428 1.920 0 40 EDAB CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccccc34)cn2)CC1 12540272 SQUDUSBGNPWVGR-UHFFFAOYSA-N 336.399 1.962 0 40 EDAB COCc1ccccc1NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 44550087 IDRMHODWAWWAKJ-AWEZNQCLSA-N 326.418 1.586 0 40 EDAB NC(=O)COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1 44668040 LHWNWTXAFAUGEX-UHFFFAOYSA-N 348.380 1.286 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 101952675 VQJTVMMIYKOCSX-VGWMRTNUSA-N 330.384 1.213 0 40 EDAB CN1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2Cl)CC1 47975468 CPPSZFRMJFPFKY-MRXNPFEDSA-N 349.862 1.648 0 40 EDAB CNC(=O)[C@@H](C)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 44895415 JUIQCJGFADNDBH-CQSZACIVSA-N 343.431 1.297 0 40 EDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(Cc2ccccc2)CC1 102837836 BHDMBBGWOFSURG-ROUUACIJSA-N 339.439 1.713 0 40 EDAB CCCN(CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1)CC(F)(F)F 58295313 BYUINKMYFITCSJ-SECBINFHSA-N 337.342 1.779 0 40 EDAB Cc1nc(CCNC(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cs1 44953700 OXVNCEKYPHNHEN-UPJWGTAASA-N 340.493 1.791 0 40 EDAB CN(C)C(=O)CCS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 44938145 WGAYEABYWNSLGW-UHFFFAOYSA-N 347.820 1.504 0 40 EDAB CCO[C@H](C)C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 58405129 DXEULFKWJZTOEQ-GFCCVEGCSA-N 330.388 1.272 0 40 EDAB COc1cc(CNCc2c(C)nn(C)c2N(C)C)ccc1OCCO 58416393 NQJAHBLFOKHRNW-UHFFFAOYSA-N 348.447 1.464 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Oc1ccc(F)cc1 101375152 JNRORLUEXNJJDR-JDEPPNLYSA-N 341.338 1.784 0 40 EDAB CN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1 2283062 LWLOTPVFYRBKSO-UHFFFAOYSA-N 345.407 1.204 0 40 EDAB O=C(COC(=O)c1ccc(Cn2cncn2)cc1)NC1CCCCC1 10655197 RREOABOTKGIKDN-UHFFFAOYSA-N 342.399 1.932 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)N(C)C 36332628 UGYMKZNTCMMWIX-NSHDSACASA-N 342.446 1.082 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1 12735472 QCBHDUSWCKPVAW-UHFFFAOYSA-N 339.442 1.663 0 40 EDAB Cc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 12782713 OTOJLQINSTWWPS-CYBMUJFWSA-N 349.412 1.099 0 40 EDAB Cc1csc(CCNC(=O)N2CCN(c3ncccn3)CC2)n1 45681739 KBBQUSZKMVYQQA-UHFFFAOYSA-N 332.433 1.316 0 40 EDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)C1(O)CCCC1 45892317 ZKMFQAKXZHLDTL-LBPRGKRZSA-N 346.383 1.599 0 40 EDAB O=C(OCc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@H]1COCCO1 84421955 BMOKQWVDSYIOFD-QGZVFWFLSA-N 346.358 1.959 0 40 EDAB C[C@@H]1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CCO1 29684311 NADKYIHBAHGVDI-OAHLLOKOSA-N 333.432 1.178 0 40 EDAB O=C(Cn1ccccc1=O)NCCNc1ccc(C(F)(F)F)cn1 46362088 WUMYGSGWLCUSQQ-UHFFFAOYSA-N 340.305 1.490 0 40 EDAB COC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 408620244 NMWGURDXINRGDI-NWDGAFQWSA-N 344.433 1.001 0 40 EDAB COc1ccc(NC(=O)[C@H](Sc2nc(N)nc(N)n2)C(C)C)cc1 8939681 OPUPCLRLXRBVDZ-LLVKDONJSA-N 348.432 1.800 0 40 EDAB CN(C)c1cccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)c1 3400102 MWKKUYNDYQBIAX-UHFFFAOYSA-N 345.355 1.528 0 40 EDAB COc1ccc(CNCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 48783236 WRCAGHMDGLKQOP-ZIAGYGMSSA-N 342.461 1.224 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 13129399 NRQALDOKOYDEEI-BETUJISGSA-N 327.450 1.726 0 40 EDAB CNS(=O)(=O)CC(=O)N(Cc1c(F)cccc1F)C1CCCC1 83088287 HGCUCYBGORPVHC-UHFFFAOYSA-N 346.399 1.785 0 40 EDAB COCCOCCC(=O)NC1CCN(C(=O)c2ccccc2)CC1 63692917 QREWGGAEECRQRR-UHFFFAOYSA-N 334.416 1.461 0 40 EDAB Cn1cnnc1SCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 6063297 SNYDFYHEYQDQPO-UHFFFAOYSA-N 349.460 1.702 0 40 EDAB COc1ccccc1[C@@H](O)CNC(=O)NCc1ccnc(N(C)C)c1 65440729 SBRVXXRVAXGYHT-HNNXBMFYSA-N 344.415 1.689 0 40 EDAB CC1(C)NC(=O)N(CCCN2CC[C@H](CNc3ccccn3)C2)C1=O 65502543 HVHBRXMYLLXWMG-CQSZACIVSA-N 345.447 1.536 0 40 EDAB CCC(=O)N1CCN(C(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1 65611928 XNUZVSAGCJQHIH-GJZGRUSLSA-N 325.453 1.846 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)c3cccc(OC(C)C)n3)CCO2)n1 179129405 UINBTBBRRLTLNP-CYBMUJFWSA-N 345.403 1.763 0 40 EDAB COc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1OC 5451338 MGNUUTNLCDJSQI-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB COc1ccc2c(c1)C(=O)C(=O)N2CCS(=O)(=O)c1ccccc1 6758402 GMWCTPHCZJEFPV-UHFFFAOYSA-N 345.376 1.698 0 40 EDAB COc1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c1 4942296 UIEIXODWPYQDNI-XESMGKBJSA-N 345.351 1.375 0 40 EDAB Cn1ncc2c(=O)[nH]c(NC[C@@H](O)c3ccc4ccccc4c3)nc21 67372867 XQTPUQHASBWWGK-OAHLLOKOSA-N 335.367 1.955 0 40 EDAB COc1cc(/C=C/C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)ccc1O 15910806 MYBJTADYLRAMAC-ZVYZJRAXSA-N 349.383 1.593 0 40 EDAB CSc1ccccc1C(=O)OCC(=O)N1CCN(C(C)=O)CC1 7985546 LUNXNMQTFNZYRK-UHFFFAOYSA-N 336.413 1.256 0 40 EDAB Cc1cc(C)n(-c2cncc(N3CCC(N4CCNC4=O)CC3)n2)n1 69464545 PCWAHSWNYBBJSK-UHFFFAOYSA-N 341.419 1.273 0 40 EDAB CCN(CC)CCNC(=O)c1ccc(S(=O)(=O)CCOC)cc1 69492507 FGOAQRRPLGEJLV-UHFFFAOYSA-N 342.461 1.178 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncn(Cc2ccccn2)n1 69414136 GSGGZHTXQUWVLJ-LLVKDONJSA-N 346.391 1.573 0 40 EDAB CC1CCC(O)(CN2CCN([C@H](C)C(=O)NC(C)C)CC2)CC1 96424629 IKOXURHZKAXBGT-UPTPFMHGSA-N 325.497 1.458 0 40 EDAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cc(Cl)c[nH]2)cc1 25200616 DYBWZKUNFVDQDW-UHFFFAOYSA-N 344.776 1.551 0 40 EDAB CC(C)(NC(=O)C[C@H]1NC(=O)NC1=O)c1ccc(Cl)c(Cl)c1 69514668 AQPUTWSCIIHYHV-SNVBAGLBSA-N 344.198 1.943 0 40 EDAB O=C(C1CCN(c2cnccn2)CC1)N1CCC[C@H]1CN1CCCC1 69580611 AKEAXMXDPRLMOE-KRWDZBQOSA-N 343.475 1.780 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)COC3CCCC3)CC2)n1 69656318 ALEPJHOXUFNKLJ-UHFFFAOYSA-N 334.420 1.401 0 40 EDAB Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)NC(C1CC1)C1CC1 69738169 UMDOSPHXKHYRGY-UHFFFAOYSA-N 328.416 1.726 0 40 EDAB C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(=O)n(-c2ccccc2)n1 69738086 JHQZKOCBEGBYIV-GOEBONIOSA-N 338.411 1.541 0 40 EDAB Cc1nn(C)c(C)c1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69809796 TUPRSKBMPSXNAJ-KRWDZBQOSA-N 342.443 1.528 0 40 EDAB CCCCc1nc(CN2CCN(c3ccc4nncn4n3)CC2)no1 69878661 FDXJRMCXCGHOLN-UHFFFAOYSA-N 342.407 1.172 0 40 EDAB O=C([C@H]1CCOC1)N1CCN(Cc2nc3ccccc3s2)CC1 71832959 CQQXEYDCJYLYPI-ZDUSSCGKSA-N 331.441 1.977 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 71820921 WVSPCRXOGVDJEB-SFHVURJKSA-N 341.411 1.939 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Oc1ccc(/C=C\C(=O)OC)cc1OC 96988723 TUFKGNFUMRZGIM-ZEBCKKTISA-N 336.344 1.104 0 40 EDAB O=C(CN1CCn2c(nnc2C2CC2)C1)NCCC1=CCCCC1 84137158 RMWINTGKCOPNEX-UHFFFAOYSA-N 329.448 1.978 0 40 EDAB CN[C@H]1CCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)C1 97019469 AFOIQWAVNAKXAN-AWEZNQCLSA-N 328.416 1.865 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(C)C[C@@H]3CN)c12 97019736 SNYBIAPXYFALQG-LBPRGKRZSA-N 329.404 1.124 0 40 EDAB CCSc1ccc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)cn1 72287364 NTUODKOREFOVLC-CYBMUJFWSA-N 331.445 1.936 0 40 EDAB CC(C)N1C(=O)[C@H]2CN(C(=O)OCc3ccccc3)CCN2C1=O 72233755 XFVMMRXQFRPYLX-CQSZACIVSA-N 331.372 1.680 0 40 EDAB Cc1ccc(F)c(N2CCC[C@@H](NC(=O)c3noc(C)n3)C2=O)c1 95452133 GKUMWROEVPHOPJ-GFCCVEGCSA-N 332.335 1.751 0 40 EDAB CCN(CC)C(=O)N1CCN(C(=O)/C=C/c2cnn(C)c2C)CC1 95441064 AQYIOIKDSPQGBX-BQYQJAHWSA-N 333.436 1.348 0 40 EDAB CN1CCO[C@H](C(=O)NC2(c3ccc(F)cc3F)CCOCC2)C1 95446305 FGCDEWBWCRVDOR-HNNXBMFYSA-N 340.370 1.417 0 40 EDAB O=C1CN(C(=O)CNc2ccc(Cl)c(Br)c2)CCN1 88535480 RHIQIYDWNOUJAA-UHFFFAOYSA-N 346.612 1.473 0 40 EDAB NS(=O)(=O)CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 95973169 ZZCMWBNDXVOWKR-UHFFFAOYSA-N 337.367 1.116 0 40 EDAB COCCCC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 75127535 VLAXBPIQRSNRHI-AWEZNQCLSA-N 325.453 1.005 0 40 EDAB O=C(c1ccn(C2CCCC2)n1)N1CCC[C@](O)(Cn2ccnn2)C1 515681106 IIILORUBFDSMSA-QGZVFWFLSA-N 344.419 1.257 0 40 EDAB CCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 33768464 GOKKOBXMNYHBEF-LLVKDONJSA-N 332.397 1.035 0 40 EDAB CCOC(=O)[C@@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218035234 YEFFQWQYNFHLAX-SOLBZPMBSA-N 345.420 1.887 0 40 EDAB COc1ccc(C)cc1CC(=O)Nc1cccc(NS(N)(=O)=O)c1 32754175 AHCMYDPDLYVVEV-UHFFFAOYSA-N 349.412 1.800 0 40 EDAB O=C(NC1CC1)c1cc(N2CCCO[C@H](CN3CCCC3)C2)ccn1 71662059 ZUZYSJTWPLWZLQ-QGZVFWFLSA-N 344.459 1.665 0 40 EDAB Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)sc2nc(C)n(C)c(=O)c12 31865647 FMSHKUAWBBBBIW-DTORHVGOSA-N 335.429 1.861 0 40 EDAB CC(C)CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCO 217519036 AIKOHVBNISQGSO-UHFFFAOYSA-N 344.433 1.504 0 40 EDAB CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC)cc2)cc1 41105610 AXULJYCYQHPUAJ-UHFFFAOYSA-N 340.426 1.170 0 40 EDAB Cc1nn(C)c(C(N)=O)c1NC(=O)[C@@]1(C)Oc2ccccc2N=C1O 40796639 GLMNSGIYDQTVMP-INIZCTEOSA-N 343.343 1.205 0 40 EDAB CO[C@@H]1CN(S(=O)(=O)c2cccc3nsnc23)CC[C@@H]1C 225583753 JJMXDUAOKMTPKT-GXSJLCMTSA-N 327.431 1.737 0 40 EDAB Cc1nn2c(nnc3c(=O)n(NC(N)=O)ccc32)c1-c1ccccc1 40391052 MEPYGFKVHSQOMH-UHFFFAOYSA-N 335.327 1.037 0 40 EDAB COC1(CNC(=O)C(=O)Nc2cccnc2)Cc2ccccc2C1 225722105 SCIBSSBZWDAIOF-UHFFFAOYSA-N 325.368 1.320 0 40 EDAB CCN(C[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1)CC(F)(F)F 81448013 HDTDTQWTJHNRPR-LLVKDONJSA-N 331.338 1.721 0 40 EDAB CC(C)[C@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 225215241 SVBZTMOMQGNJPN-FZMZJTMJSA-N 326.418 1.374 0 40 EDAB Cc1nc2c(c(N3CCC[C@@H]3c3nc(C(N)=O)no3)n1)CCCC2 195571412 SHDURBZDNGAEIL-GFCCVEGCSA-N 328.376 1.487 0 40 EDAB COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)Nc1cccnc1 227151010 WPGMRLAVHPCCAY-UHFFFAOYSA-N 335.385 1.593 0 40 EDAB CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccc(-c2nccn2C)c1 81625101 CCWFVVZPCLYJFR-GFCCVEGCSA-N 329.404 1.933 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCCS(=O)(=O)C2)ccc1-n1cccn1 573107785 GNMGFKJLGSVMJX-AWEZNQCLSA-N 333.413 1.488 0 40 EDAB NC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1 223369154 QZEZDPONUQSICT-UHFFFAOYSA-N 338.316 1.424 0 40 EDAB Cc1ccnc(NC(=O)CN(C)c2ccc3nnc(C4CC4)n3n2)c1 80977599 YROZGWMZBBBONC-UHFFFAOYSA-N 337.387 1.780 0 40 EDAB Cc1cccc(CN2C[C@@H]3CN(C(=O)c4ccnnc4)C[C@@H]3C2=O)c1 96245294 YRCKQEZKWRLRLT-SJORKVTESA-N 336.395 1.516 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 96430608 ZEMZDSFHGHQVCX-CHWSQXEVSA-N 325.376 1.303 0 40 EDAB CC[C@]1(C(=O)OC)N[C@@H](c2cccc(F)c2)[C@H]2C(=O)N(C)C(=O)[C@H]21 96295838 MNQANYLTQZFWNZ-MRHIQRDNSA-N 334.347 1.023 0 40 EDAB COC[C@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(C)c2)O1 96186620 XTIFHORHUQTYHW-KBMXLJTQSA-N 325.430 1.952 0 40 EDAB O=C(c1cnccn1)N1CC[C@@]2(CCCN(Cc3ccccn3)C2)C1 96046962 XAYGPAVNVYDOBH-LJQANCHMSA-N 337.427 2.000 0 40 EDAB CN1CCN(Cc2cn3c(n2)CN(Cc2cccnc2)CC3)CC1 96059426 HFLOEFCGKJQMPL-UHFFFAOYSA-N 326.448 1.041 0 40 EDAB CCc1ccc(CN2CCC3(CC2)CN(CCN(C)C)C(=O)CO3)o1 96201353 MHCHMTPOHGCQQQ-UHFFFAOYSA-N 349.475 1.597 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCc2csc3ccccc23)CCO1 96427745 DSPCJMGWUDSCCW-LBPRGKRZSA-N 340.470 1.999 0 40 EDAB C[C@@H](NC(=O)[C@H](c1ccccc1)n1cnnn1)c1nnc2ccccn12 95472119 SBFOLDKBSDYXGN-DOMZBBRYSA-N 348.370 1.183 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)C1CC=CC1)C2 96039566 RDAGUBQWWHPTKJ-HKUYNNGSSA-N 336.476 1.929 0 40 EDAB COC(=O)C1CCN(S(=O)(=O)N2CC=C(C(C)(C)C)CC2)CC1 330032897 UDAXIVYPMLPAFN-UHFFFAOYSA-N 344.477 1.794 0 40 EDAB Cn1ccc(C(=O)N2CCOC[C@@H]2c2csc(N3CCCC3)n2)n1 96217810 UWRNKXQMVXXEFX-CQSZACIVSA-N 347.444 1.691 0 40 EDAB COc1ccc(CN2C[C@@H]3CN(Cc4nccn4C)C[C@@H]3C2=O)cc1 96245352 LTKWTJRIMHKGSW-RDJZCZTQSA-N 340.427 1.519 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCN(Cc3cnn(C)c3)C2)CC1=O 96239398 XLUJTOPGXDYYQU-GOSISDBHSA-N 343.431 1.650 0 40 EDAB Cc1cccc(CN2CCc3[nH]nc(C(=O)N4CCOCC4)c3C2)n1 96066603 GXAHLKRUKAVKAD-UHFFFAOYSA-N 341.415 1.144 0 40 EDAB CN(C)C(=O)Cn1cc2c(n1)[C@H](CNCc1ccccc1F)OCC2 96068168 HASYLAKYOMVWAN-INIZCTEOSA-N 346.406 1.514 0 40 EDAB O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1ccc(F)cc1)C2 97953378 BSIHADTVJQLURU-SJLPKXTDSA-N 334.391 1.971 0 40 EDAB O=C([C@H]1CCCO1)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 96071249 ZNVDPHXGLQXXMA-APWZRJJASA-N 343.427 1.744 0 40 EDAB COCCO[C@@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1Cc1ccncc1 96200316 ABAQUDLNJISWKZ-YESZJQIVSA-N 334.416 1.293 0 40 EDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1cscn1 96045351 LNAUKDRRZVYPPD-ZDUSSCGKSA-N 333.417 1.531 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)CC1CC1)C2 96237852 GXIHRGXVHUTMIX-IBGZPJMESA-N 327.428 1.736 0 40 EDAB CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)NC(=O)CNCCCN1CCOCC1 245227675 SMKVZXNBOVLKBZ-BXWFABGCSA-N 337.508 1.629 0 40 EDAB COC[C@H]1CCN(C(=O)N2CCN(c3ncncc3Cl)CC2)C1 585082809 NQVUJRUYIHGRMA-LBPRGKRZSA-N 339.827 1.340 0 40 EDAB Cc1cc(N2CCC(N(C)C(=O)c3cncn3C)CC2)nc(C)n1 585085496 GJMCOQXAGKVHTL-UHFFFAOYSA-N 328.420 1.568 0 40 EDAB CC(=O)N1CCC[C@H]1c1nc(C)ncc1CNC(=O)c1ocnc1C 257222062 DRSLBCAJIAQCRR-AWEZNQCLSA-N 343.387 1.695 0 40 EDAB Cc1ccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)cc1Cl 585119417 HBQKBXAEFONEMC-SFHVURJKSA-N 325.843 1.880 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N(C)Cc1nnc2ccccn12 585139383 QSVTYMQERNCFLV-UHFFFAOYSA-N 346.412 1.867 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC 252486634 HNBLIOYBWSQZSB-UHFFFAOYSA-N 340.445 1.691 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(C(=O)c2cc3cc(F)ccc3n2C)C1 257258903 KVZKYMCCWNIFEW-ZDUSSCGKSA-N 346.406 1.067 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)c3ccnc(C)n3)CCO2)ncn1 257252040 JTIDDGFJMUVFGZ-OAHLLOKOSA-N 327.388 1.357 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)CO[C@@H](Cc1cnccn1)C2 257264401 LUEPBMVPOYHYMU-HNNXBMFYSA-N 339.399 1.521 0 40 EDAB CC(=O)N1CC[C@H]2[C@H](C1)C[C@](C)(CO)N2Cc1ccc(Cl)cn1 257212583 CEBMRYSPKGYMRV-RRQGHBQHSA-N 337.851 1.929 0 40 EDAB CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)Cc1ccsc1 257277475 NYCXNIKNOZAUMU-MRXNPFEDSA-N 332.429 1.180 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCO[C@H](c3cccc(N)n3)C2)n1 257263411 LPURGFDDBPHRPZ-ZDUSSCGKSA-N 345.403 1.703 0 40 EDAB Cc1cc(-c2ccc(C[C@@H]3CCN(S(=O)(=O)N(C)C)C3)cn2)[nH]n1 257244885 INFKUCPJNIZPCG-AWEZNQCLSA-N 349.460 1.451 0 40 EDAB CC(C)c1nnsc1C(=O)NC[C@@]1(O)CCN(c2ccccn2)C1 257233601 GPXCFIYNMYRLSV-INIZCTEOSA-N 347.444 1.428 0 40 EDAB COc1ccc2nc(C)c(C(=O)N3CCCC[C@H]3CN(C)C)n2n1 1615044241 NPGRMDNLEXOCOJ-ZDUSSCGKSA-N 331.420 1.603 0 40 EDAB O=C(N[C@H]1CCCC[C@H]1n1cc(CO)nn1)N1CCSCC1 1615550086 PWCDRXFJNIPVJI-QWHCGFSZSA-N 325.438 1.013 0 40 EDAB Cc1cccc2nc(NC[C@@]3(c4nccn4C)NC(=O)NC3=O)oc12 1615614869 KLFNHKCFBYPYFL-INIZCTEOSA-N 340.343 1.017 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2ccoc2)c(C)c1 96096812 NCBXBTKCAJCOIP-AWEZNQCLSA-N 338.385 1.558 0 40 EDAB CCOCC(=O)N1Cc2ccnn2[C@H](C(=O)NCc2cccs2)C1 575403459 IMCCABQDPWZRCB-AWEZNQCLSA-N 348.428 1.181 0 40 EDAB Cc1cncc(CCNS(=O)(=O)Cc2ccc(C(=O)O)cc2)n1 656728447 NRAAERCMGSNQPM-UHFFFAOYSA-N 335.385 1.145 0 40 EDAB CCCCC(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CCO2)C1 575404271 MQHDPJPDJOGPKZ-HNNXBMFYSA-N 338.448 1.576 0 40 EDAB COc1cc(OC)cc(C(=O)NCCn2nc3c(cc2=O)CCC3)c1 575609030 RJTXTSVRKZWFLK-UHFFFAOYSA-N 343.383 1.179 0 40 EDAB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)c1ccnnc1)CC2 585096662 YOYVSAXDNFNSHP-LLVKDONJSA-N 328.376 1.028 0 40 EDAB Cc1cncc(CN2CCC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)n1 585101184 LTEHUIPNQLFLRM-SFHVURJKSA-N 345.447 1.763 0 40 EDAB Cn1cnc2c1[C@H](C(=O)N1CC(F)(F)C1)CN(Cc1ccoc1)C2 585110842 OYIAJCSLDYJGMY-GFCCVEGCSA-N 336.342 1.590 0 40 EDAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc3nc(C)cc(C)n23)CC1 25777294 RYNOTBLUOZWTFM-CYBMUJFWSA-N 348.476 1.386 0 40 EDAB CCOC(=O)NCC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 42749399 HVANFOZTODSMSX-GFCCVEGCSA-N 335.408 1.414 0 40 EDAB Cc1cc(C)n2ncc(C(=O)NC[C@H](C)N3C[C@H](C)O[C@H](C)C3)c2n1 43843677 CDVRKMVSLTVRNI-SOUVJXGZSA-N 345.447 1.574 0 40 EDAB COc1ccc([C@@H]2CNCCN2C(=O)c2ccc3nn[nH]c3c2)cc1 1333238407 XSFVIXXVLCUALF-KRWDZBQOSA-N 337.383 1.753 0 40 EDAB CC[C@](C)(NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)C(=O)OC 58181749 HFMFQRSHEIUWKU-SGTLLEGYSA-N 348.399 1.649 0 40 EDAB Cc1ccc(CN2CCOC[C@@H](Cc3cc(C(N)=O)ncn3)C2)cc1 72388300 BZOXRCSEAHHMPG-INIZCTEOSA-N 340.427 1.575 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)CN2CCOC3(CCCCC3)C2)C1 72717056 AMCVETPCBKURCX-MRXNPFEDSA-N 337.464 1.149 0 40 EDAB Cc1ncnc(OCC2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)c1C 1776001524 XZAQPNWONSGDCO-HNNXBMFYSA-N 346.431 1.237 0 40 EDAB Cn1cc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)nn1 1776009899 XWVCVHHVYKWSRO-RYUDHWBXSA-N 343.435 1.712 0 40 EDAB CC1CCC(N(C[C@@H]2CCCO2)C(=O)N[C@H]2CCN(C)C2=O)CC1 74376422 MGUZOCKGKUAROP-CKUJCDMFSA-N 337.464 1.986 0 40 EDAB O=C(O)[C@H]1COCCN1C(=O)c1cc(F)ccc1Br 88374083 LPZGMFYYRXKQKM-SNVBAGLBSA-N 332.125 1.514 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(Cc3nnsc3Cl)C2)C1=O 84597386 NENMVRVETXNWIM-LBPRGKRZSA-N 329.813 1.096 0 40 EDAB CN1OC2(CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1=O 1549161264 GGQKIFMAYHKYMZ-UHFFFAOYSA-N 338.429 1.218 0 40 EDAB Cn1c(N2CCC(C(=O)Nc3nc[nH]n3)CC2)nc2ccccc21 12116347 KITNFHJGDAIKON-UHFFFAOYSA-N 325.376 1.547 0 40 EDAB Cc1cc2ccccc2n2c(=O)n(CC(=O)Nc3ccccn3)nc12 12117725 YOUXTTIVTYHIGX-UHFFFAOYSA-N 333.351 1.991 0 40 EDAB C[C@H](C(=O)NCCn1nnn(-c2cccs2)c1=O)c1ccccc1 12186776 SBLQYMAUHJALPN-LBPRGKRZSA-N 343.412 1.410 0 40 EDAB Cc1cnn(CC(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)c1 19239888 ZQOORMCCBAEPND-CYBMUJFWSA-N 337.383 1.444 0 40 EDAB CCOC(=O)[C@@]1(CC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@H]21 19500778 PEVPQDRTQGOZAM-NUXNZHGMSA-N 348.374 1.413 0 40 EDAB CN(C)c1cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)cnn1 206723703 COVNGSOOENKESO-UHFFFAOYSA-N 347.369 1.783 0 40 EDAB Cn1c(SCC(=O)N2CCCCC2)nc2c(c1=O)SCC2 9560202 SSJALTRUCFTSHK-UHFFFAOYSA-N 325.459 1.533 0 40 EDAB O=C(CCCNC(=O)c1ccc(Cl)cc1)NCC(=O)NC1CC1 9953371 OXFBPIABMARJMQ-UHFFFAOYSA-N 337.807 1.245 0 40 EDAB O=C(NCC(=O)N1CCSCC1)c1ccc(Br)cc1 153971271 ISIKWHWOMMXMIB-UHFFFAOYSA-N 343.246 1.754 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCc1ccccc1 74164791 FQEVLORVCSFUNW-GJZGRUSLSA-N 334.416 1.716 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)CC1(O)CCC1)CC2 1565543998 XNEICEUNCBEFKP-UHFFFAOYSA-N 338.448 1.169 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)CN(C)C(C)C)CC2 1565544514 MPZNLOGOCAFLEN-UHFFFAOYSA-N 339.480 1.204 0 40 EDAB O=C(NCc1ccco1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 4850609 OGJQKBYZDHVCKX-UHFFFAOYSA-N 339.351 1.370 0 40 EDAB O=c1c(=O)n2c(nn1Cc1cccc(F)c1)N(c1ccccc1)CC2 8848729 QAQBBXNGJNEBOG-UHFFFAOYSA-N 338.342 1.744 0 40 EDAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)C(C)C)cc21 12180657 INAUPPWXXRWTIJ-UHFFFAOYSA-N 346.474 1.939 0 40 EDAB CC1(C)OC(=O)N(CCCN2C(=O)OC(C)(C)[C@@]2(C)O)[C@@]1(C)O 12402031 JGBFGNPMJHHGLC-GASCZTMLSA-N 330.381 1.255 0 40 EDAB O=C(NC1CCCC1)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055717993 SAFFQHZQOYTTKI-GFCCVEGCSA-N 330.432 1.787 0 40 EDAB Cc1ccc(C(=O)N2C[C@H]3C[C@H](CNC(=O)C4CCC4)O[C@H]3C2)cn1 2055713372 GKBSJCUGMFPMOC-ZACQAIPSSA-N 343.427 1.536 0 40 EDAB Cc1ccc2[nH]c3c(=O)n(CC(=O)NCc4ccncc4)cnc3c2c1 23126094 CTYKXAOOHQTSEN-UHFFFAOYSA-N 347.378 1.898 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CC(Oc2nccs2)C1 218786641 HAHXGQJEQWNGAB-UHFFFAOYSA-N 342.380 1.143 0 40 EDAB CC(C)(C)NC(=O)N1CCC(CNC(=O)NC[C@@H]2CCCO2)CC1 225553948 ZSKJWFYVNBUMSF-AWEZNQCLSA-N 340.468 1.685 0 40 EDAB CCN1CCN(CC(=O)Nc2nc3ccc(OC)cc3s2)CC1 19528164 ZOZSICPMGAPOKJ-UHFFFAOYSA-N 334.445 1.881 0 40 EDAB O=C(CN1CCOCC1)N1CCN(Cc2ccc(Cl)s2)CC1 40465717 JPDZARCUMHFCQB-UHFFFAOYSA-N 343.880 1.378 0 40 EDAB C[C@H]1CN([C@@H](C)CNC(=O)c2cnn(C)c2-n2cccc2)C[C@@H](C)O1 40512862 KTMPLCUYTWSHDW-SOUVJXGZSA-N 345.447 1.438 0 40 EDAB O=C(COc1ccc(F)cc1)N1CCN(CCc2ccncc2)CC1 20896918 UDBJSUDGZQWOTB-UHFFFAOYSA-N 343.402 1.986 0 40 EDAB CCN(CC)CCCNC(=O)CCc1nc(-c2cccnc2)no1 32824557 FZFGTGKUNVXLGD-UHFFFAOYSA-N 331.420 1.912 0 40 EDAB O=C(NC[C@H]1CCOC1)c1ccc(=O)n(CCOc2ccccc2)n1 41371938 MFFAZWUAIPQDTG-CQSZACIVSA-N 343.383 1.089 0 40 EDAB O=C(COCCOc1ccccc1)N1CCC[C@@H]1Cn1cccn1 69948478 LLKWAVRJUUAMIW-MRXNPFEDSA-N 329.400 1.970 0 40 EDAB O=S(=O)(NC[C@@H]1Cc2ccccc2O1)c1ccc2c(c1)CCO2 46812059 FCQPEJXRGHEVQR-AWEZNQCLSA-N 331.393 1.904 0 40 EDAB Cc1nc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n[nH]1 103255414 LTVJLDWWUKDIOE-ZDUSSCGKSA-N 349.416 1.295 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1 76045357 AJHMECUJYRGVEH-INIZCTEOSA-N 326.400 1.744 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN(C[C@H](O)c3ccc(F)cc3)C2)no1 78891008 SVAMFXDIRFXWHW-HOTGVXAUSA-N 334.395 1.757 0 40 EDAB CC12CN3CC(C)(CN(C1)C3c1cc3ccccc3[nH]c1=O)C2O 79192824 YRPJUZASKLKEAC-UHFFFAOYSA-N 325.412 1.545 0 40 EDAB biogenic COc1ccc(NC(=O)C[C@@H](NCc2ccccn2)C(=O)O)cc1 4116954 SOZKGUMLCRCAIQ-OAHLLOKOSA-N 329.356 1.662 0 40 EDAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1OC 4166192 REYPTNTVIZTNMC-GFOFROLCSA-N 345.395 1.885 0 40 EDAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCN1CCOCC1 22690205 XDUGQXGOYFDZIA-UHFFFAOYSA-N 347.390 1.862 0 40 EDAB Cc1cccc(OCC(=O)NCCCNC(=O)c2cnccn2)c1 4985376 IDRIGAAFDJBGHM-UHFFFAOYSA-N 328.372 1.100 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H]1c1cnn(C)c1 71797032 BJONPVBSXOROBX-HNNXBMFYSA-N 348.428 1.353 0 40 EDAB NC(=O)c1cccc(OCC(=O)N2CCC[C@H](n3ccnc3)C2)c1 71796455 IXRZCLYTAXAFIJ-AWEZNQCLSA-N 328.372 1.225 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(c2ncccc2C(F)(F)F)CC1 47510377 XIHBBRVPFJSKSV-NSHDSACASA-N 342.365 1.890 0 40 EDAB O=C(NCC1CCS(=O)(=O)CC1)NC[C@@H]1C[C@@H]1c1ccccc1 96484962 WVVQHWFCMODSGT-JKSUJKDBSA-N 336.457 1.914 0 40 EDAB C[C@H]1c2ncc(CNC(=O)c3ccno3)n2CCN1C[C@H]1CCOC1 107218927 FGKKPEVYPJWIAQ-QWHCGFSZSA-N 345.403 1.214 0 40 EDAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(NS(C)(=O)=O)CC2)C1(C)C 54483836 PLIYVPWMEVNJAZ-KBPBESRZSA-N 328.478 1.765 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 23700824 GEGFKCCLHGQPLF-IRXDYDNUSA-N 343.475 1.780 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccccn1 43181404 GPSROWFDISQMBZ-ZIAGYGMSSA-N 326.404 1.901 0 40 EDAB CCOC(=O)c1nc2[nH]c(-c3ccc(OC)c(OC)c3)cc(=O)n2n1 100069561 ZOYPPENDZBUOMG-UHFFFAOYSA-N 344.327 1.279 0 40 EDAB Cc1occc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 24776056 ZLIXTDYIFCQNNY-UHFFFAOYSA-N 338.371 1.526 0 40 EDAB O=C(NCCO)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 97213509 JIIACLAMCQWKAW-GFCCVEGCSA-N 331.199 1.707 0 40 EDAB CC(=O)Nc1nc(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)cs1 25147924 ZEWVCAMRJXMCDD-UHFFFAOYSA-N 343.372 1.638 0 40 EDAB CC1(C)C[C@@H](NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)CCO1 101413667 PKEXSHISRBTSKO-FZMZJTMJSA-N 345.399 1.851 0 40 EDAB CCn1c(S)nc2cc(C(=O)Nc3ccn(C)n3)ccc2c1=O 102830159 OSEZJUSSNVIWJT-UHFFFAOYSA-N 329.385 1.691 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)c2cc(-c3ccccc3)no2)CC1 48031454 NFKCYFLANXRHKT-UHFFFAOYSA-N 349.412 1.449 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncsc2c1 44358038 ZQMHDWTWTDCDKX-NSHDSACASA-N 325.415 1.659 0 40 EDAB CCOc1ncccc1NC(=O)NC1CCN(S(C)(=O)=O)CC1 48206553 NURMEUJDXJORMM-UHFFFAOYSA-N 342.421 1.026 0 40 EDAB Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 44895867 KPBLVNCMZYNBMC-GFCCVEGCSA-N 333.413 1.871 0 40 EDAB CC(=O)NCCNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 58209427 YGXPNDBMJNBUKK-STQMWFEESA-N 325.206 1.805 0 40 EDAB O=C(CSCc1ccccn1)NCCC(=O)Nc1ccccn1 58264364 KQHDZGZZMCZTIR-UHFFFAOYSA-N 330.413 1.855 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)NCCNc2ccccn2)cn1 58265067 CWGRJTUNLLEWRW-UHFFFAOYSA-N 335.389 1.114 0 40 EDAB Cc1csc(CN2C[C@H](C(=O)NCc3ccco3)[C@H]3OCC[C@H]32)n1 108535489 IEZYYFKMCHVKII-SQWLQELKSA-N 347.440 1.950 0 40 EDAB CCc1ccc(C(=O)N2CCN(C(=O)C3CCOCC3)CC2)cc1 58278024 ZZCVJWFHTWFKKN-UHFFFAOYSA-N 330.428 1.960 0 40 EDAB CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 2191127 WONKAOHJIYTYOX-UHFFFAOYSA-N 328.390 1.219 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@]2(C[C@@H](Oc3ncccn3)CO2)C1 107228287 ZBBJOWYLWRNOGL-UKRRQHHQSA-N 341.433 1.219 0 40 EDAB COc1ccc(F)cc1[C@@H](C)NC(=O)NC[C@@H]1CCS(=O)(=O)C1 44968231 NEYNDJNCOZPOCT-MNOVXSKESA-N 344.408 1.629 0 40 EDAB C[C@H](NC(=O)NCCN1CCOCC1)c1ccc(-n2ccnc2)cc1 44909804 RCFHEPDVIPHHDW-HNNXBMFYSA-N 343.431 1.565 0 40 EDAB Cc1ccn2cc(C(=O)N3CCCN(C[C@H]4CCCO4)CC3)nc2c1 44911299 SQKXLPQWJOYTTO-MRXNPFEDSA-N 342.443 1.970 0 40 EDAB Cc1ccc([C@@H](CNC(=O)CN2CSCC2=O)N2CCCC2)cc1 58344227 VEXSBPZURLFBKC-MRXNPFEDSA-N 347.484 1.781 0 40 EDAB CCCC(=O)NCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 58391652 BCEIJRCFJQJGNM-AWEZNQCLSA-N 337.489 1.993 0 40 EDAB COc1ccccc1[C@@H](NC(=N)NC[C@H]1CCCO1)c1nccn1C 58329471 YVIMXXNOFXLTBE-CZUORRHYSA-N 343.431 1.811 0 40 EDAB Cc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1C(C)(C)C 45057539 KKRSBXOAGWTPEJ-UHFFFAOYSA-N 328.420 1.699 0 40 EDAB CC(C)N(C)C[C@H]1CO[C@]2(COCCN(C(=O)N3CCCC3)C2)C1 107738749 BJROJFCKNVYNAG-FUHWJXTLSA-N 339.480 1.650 0 40 EDAB O=C1Cc2cc(C(=O)N3CCN(Cc4ccco4)CC3)ccc2N1 95351097 MFZUUZDCUISELK-UHFFFAOYSA-N 325.368 1.732 0 40 EDAB COc1ccsc1C(=O)NCc1ccc(CS(N)(=O)=O)cc1 95381555 WXMBPKFRWJRWLD-UHFFFAOYSA-N 340.426 1.475 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)N(Cc2ccco2)C2CC2)CC1 45406055 ISZDLOQHXMUGBU-UHFFFAOYSA-N 341.433 1.378 0 40 EDAB O=c1cc(CN2CCN(c3nccs3)CC2)nc2sccn12 11411550 KNHDLTMDOXKCGP-UHFFFAOYSA-N 333.442 1.535 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)[C@H]1CCCN(c2cnccn2)C1 45886855 JMQDVISJHBUQST-JKSUJKDBSA-N 326.400 1.543 0 40 EDAB CCOc1cc2c(cc1NC(=O)C1=NN(C)C(=O)CC1)O[C@H](C)C2 12924337 VYFDOHBAGFLJDV-SNVBAGLBSA-N 331.372 1.955 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NCCc2ccc(C(=O)O)cc2)cc1 13442371 OQHXQALULDDAKD-UHFFFAOYSA-N 347.392 1.761 0 40 EDAB Cc1sc(C(N)=O)cc1S(=O)(=O)Nc1cc(C(C)C)[nH]n1 95466424 KANSMVGWOLPKKV-UHFFFAOYSA-N 328.419 1.803 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1 70901637 NRKBDLFKBBODGS-ZENOOKHLSA-N 335.448 1.934 0 40 EDAB O=S(=O)(Cc1ccc(F)cc1F)Nc1nc2ncccn2n1 92863843 HPEXZDCGCCBLFA-UHFFFAOYSA-N 325.300 1.344 0 40 EDAB NC(=O)c1cc(OC2CCN(C(=O)NCC(F)(F)F)CC2)ccn1 92961839 QIMPHCOZDXLUCO-UHFFFAOYSA-N 346.309 1.296 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1nc(N2CCCC2)ncc1Cl 65463162 KGXJXMMRJVUQRQ-LLVKDONJSA-N 346.822 1.672 0 40 EDAB CC[C@H](C)N(Cc1ccccc1)C(=O)CN1CCS(=O)(=O)CC1 65495805 JOSFQZHHSFFKHI-HNNXBMFYSA-N 338.473 1.544 0 40 EDAB Cc1nc2ccc(C(=O)N[C@@H]3CCc4nnc(C)n4C3)cc2nc1C 65530361 AXLUKEBGBQTJHK-CQSZACIVSA-N 336.399 1.891 0 40 EDAB CC(C)[C@H](C)NC(=O)C1CCN(Cn2nc3ccccn3c2=O)CC1 65553571 GKENIGOTRQASNS-AWEZNQCLSA-N 345.447 1.326 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@@H]2COc3ccccc3O2)cc1 5353298 JIYZCYHTMJQVFZ-CQSZACIVSA-N 342.351 1.590 0 40 EDAB CCn1nnnc1SCC(=O)N(C)Cc1ccc2c(c1)OCCO2 14139498 RVSQLSQMBSMDMQ-UHFFFAOYSA-N 349.416 1.215 0 40 EDAB C[C@H](CC(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1)C1CC1 65604770 ROHLPONPYDHEAK-CYBMUJFWSA-N 341.415 1.969 0 40 EDAB C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCO1 27883330 OZWJGMXWKNRFGH-JOYOIKCWSA-N 333.356 1.980 0 40 EDAB CCOC(=O)c1cnn(C)c1NC(=O)CN1CCn2cccc2[C@H]1C 67116808 ZPNAGWUYQBCXNL-GFCCVEGCSA-N 345.403 1.414 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CCO1 96005572 UAVBPUXAZIUCAE-LLVKDONJSA-N 331.294 1.684 0 40 EDAB COc1ccc(C[C@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 90018330 DQLIIJKZTYQKBB-GUYCJALGSA-N 328.416 1.755 0 40 EDAB O=C(NCc1nccn1Cc1ccccc1)N1CCN(C2CC2)CC1 80515921 SAKRQRWVJPTVIL-UHFFFAOYSA-N 339.443 1.921 0 40 EDAB O[C@H](COC[C@H]1CCCO1)CN1CCN(c2ccccc2F)CC1 68048613 WIALFKJOQWJYSC-JKSUJKDBSA-N 338.423 1.504 0 40 EDAB COc1cc(/C=C/C(=O)OCC(=O)NCc2ccco2)ccc1O 7565090 VQHXIQBGIDEKCF-FNORWQNLSA-N 331.324 1.867 0 40 EDAB O=C1CCCN1CC[C@H]1CN(CCn2cncn2)c2ccccc21 83403970 XURVAIVRUNFFQR-HNNXBMFYSA-N 325.416 1.894 0 40 EDAB COCC(=O)N1CCN(C(=O)c2cc(C)ccc2-n2ccnc2)CC1 70019883 MQUSQKVVFNZHHT-UHFFFAOYSA-N 342.399 1.112 0 40 EDAB CCC[C@@H](C(=O)OCC)N1CCC[C@H](C(=O)N2CCOCC2)C1 70040446 UVBRKWWDIWIFAM-GJZGRUSLSA-N 326.437 1.289 0 40 EDAB O=S(=O)(c1ccc(CN[C@@H]2C[C@H]3CC=C[C@@H]32)cc1)N1CCOCC1 8395459 BCUVQWFAWWZSIW-BPQIPLTHSA-N 348.468 1.762 0 40 EDAB NS(=O)(=O)NC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 69431555 UWRRATHLRCYACO-NSHDSACASA-N 340.474 1.301 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1cnn(-c3ccccc3F)c1)C2 69452269 TVJXMCRCOLMEIC-UHFFFAOYSA-N 326.335 1.567 0 40 EDAB CN(C)C(=O)c1cccc(CN2CCN(Cc3nccn3C)CC2)c1 69452909 XSMOEODTNLPXKL-UHFFFAOYSA-N 341.459 1.440 0 40 EDAB CCCNC(=O)c1ccc(NC(=O)CCS(C)(=O)=O)cc1Cl 71884215 PAQRLUVHLOMUFA-UHFFFAOYSA-N 346.836 1.853 0 40 EDAB CC(C)c1ccc(OCC(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1 69618270 YRFZXPAPDUOVIK-QGZVFWFLSA-N 347.459 1.645 0 40 EDAB C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)n1ccnc1 69619343 DGGDRAPKBNMKLY-WBVHZDCISA-N 340.427 1.794 0 40 EDAB COc1cc(C2(C(=O)N3CCN(CC(C)(C)O)CC3)CC2)ccc1C 69807854 KRIXBZWGZIDWPR-UHFFFAOYSA-N 346.471 1.950 0 40 EDAB FC(F)(F)Cn1ccnc1CN[C@@H]1CCCN(c2cccnn2)C1 69843680 KADUHEAVZJYNFP-GFCCVEGCSA-N 340.353 1.994 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCC(=O)N(C)Cc1ccccc1 71853491 IDPXMPHJEZEGEC-GOEBONIOSA-N 345.443 1.314 0 40 EDAB CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCCO)ccc21 71803416 RDHYDMDDZDPDKG-UHFFFAOYSA-N 332.404 1.624 0 40 EDAB COc1ccccc1COC[C@H](O)CN1CCc2c(ncn2C)C1 71877078 ITRSOYIRGGCLFP-OAHLLOKOSA-N 331.416 1.365 0 40 EDAB Cc1cc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)nc(N)n1 71830880 ZVUJBXLPNCAIPQ-UHFFFAOYSA-N 345.834 1.912 0 40 EDAB CN1CCc2c(sc3nc(NN)n(Cc4ccccc4)c(=O)c23)C1 19907470 VISBLMRPAHCVKF-UHFFFAOYSA-N 341.440 1.780 0 40 EDAB CN(C)C(=O)CCCS(=O)(=O)c1n[nH]c(-c2cccs2)n1 71913623 IPYGSIVENJOUQC-UHFFFAOYSA-N 328.419 1.175 0 40 EDAB NC(=O)[C@@H]1CCCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 97083530 LXZLCURYXFBPLC-SNVBAGLBSA-N 337.786 1.757 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)n1 72279936 LHKTVKLMTDRIAF-JKSUJKDBSA-N 347.463 1.672 0 40 EDAB CCc1nc(CNC(=O)N[C@H]2CCCN(C(=O)OC)C2)cs1 72271523 NWRIZHNOIBDGEA-JTQLQIEISA-N 326.422 1.736 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1ccc(-n3cnnn3)cc1)C2 72279874 JQMWPPMBCTWHPW-UHFFFAOYSA-N 338.375 1.033 0 40 EDAB CN1C[C@H](NC(=O)CCc2cc(F)ccc2Br)CC1=O 97107255 VBSVKXMQUVJAJC-LLVKDONJSA-N 343.196 1.868 0 40 EDAB CN(CCCO)C1CCN(C(=O)Cc2ccc(O)cc2Cl)CC1 95979686 MLIOTAINXXHGPD-UHFFFAOYSA-N 340.851 1.893 0 40 EDAB CC(=O)N1CCC(NC(=O)NCC2([C@H](C)CCO)CCC2)CC1 95986533 GZXBLPSUFBFWST-CYBMUJFWSA-N 325.453 1.485 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1CNc1ccc(Br)cn1 89486504 DSSPUZHIMXLUFR-SNVBAGLBSA-N 334.239 1.680 0 40 EDAB NC(=O)c1ccc(N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)nn1 75048299 FRJCIOINAFRIGN-UHFFFAOYSA-N 349.398 1.745 0 40 EDAB Cc1cc(F)c(S(=O)(=O)NC(=O)Cc2cccnc2)cc1F 89570496 CMGYXVUJCPDVHO-UHFFFAOYSA-N 326.324 1.716 0 40 EDAB Cc1nc2n(n1)CCN(S(=O)(=O)c1cc(F)c(F)cc1F)C2 75105866 GCRLHGUZTWYCDY-UHFFFAOYSA-N 332.307 1.208 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N(Cc1cccc(O)c1)CC1CC1 89780628 MQCRCJPAPGGVEX-AWEZNQCLSA-N 338.429 1.501 0 40 EDAB O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CC(O)C1 89853277 GPOHSBWUBOZTMJ-UHFFFAOYSA-N 326.381 1.813 0 40 EDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccccc2)cc1 408591654 IXSVUXQFQNWCEA-ZDUSSCGKSA-N 348.424 1.678 0 40 EDAB CCOCCCNC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 28208406 BBBLOVRUZJCZLR-UHFFFAOYSA-N 342.461 1.412 0 40 EDAB O=C(O)CN1C(=O)N/C(=C/c2ccc(N3CCCCCC3)o2)C1=O 408587702 ADMKVGSTFGSACY-FMIVXFBMSA-N 333.344 1.637 0 40 EDAB O=C(O)[C@H](NC(=O)N1CCOCC1)c1ccccc1Br 547551179 KGNHMZQFHJLFJQ-LLVKDONJSA-N 343.177 1.617 0 40 EDAB COCCN1C(=O)CO[C@H]2CN(Cc3cnc4ccccc4c3)C[C@H]21 67897274 PGASDMAWQJQZTF-MSOLQXFVSA-N 341.411 1.293 0 40 EDAB biogenic,in-vitro CC[C@H](CO)N(C(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 217375602 KVUVBWWRDKZBRC-HUUCEWRRSA-N 325.430 1.016 0 40 EDAB O=C(NCC(=O)N1CCN(CC(F)(F)F)CC1)c1cccs1 71817832 QMVNOEVIXLTMCA-UHFFFAOYSA-N 335.351 1.184 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1nc(-c2ccco2)cs1 36708396 VHOIVRUIVUBZCE-UHFFFAOYSA-N 332.341 1.269 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 71280237 CNWYMXRVLBUUON-YCPHGPKFSA-N 327.428 1.841 0 40 EDAB C[C@H](NC(=O)N1CC[C@H](CN(C)C)C1)C(=O)N1CCc2ccccc21 129838695 WVVNUTMGBZCOEA-LSDHHAIUSA-N 344.459 1.557 0 40 EDAB CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1 72830365 YOBFFHKRICZZEO-CABCVRRESA-N 345.443 1.876 0 40 EDAB Cc1nnc(-c2cccc(C(=O)NC[C@@H](C)CN3CCOCC3)c2)o1 73883353 BVLWYZPHZVJFSX-CYBMUJFWSA-N 344.415 1.743 0 40 EDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc(C)c1 71980225 OBJMTKHWXNMYMA-OAHLLOKOSA-N 332.400 1.733 0 40 EDAB C[C@](O)(CNC(=O)c1cccc(-n2cnnn2)c1)c1ccsc1 80891757 UROWCNOACYQLFJ-HNNXBMFYSA-N 329.385 1.361 0 40 EDAB COc1ccc2c(c1)c(=O)ncn2Cc1nnc2n1CCCCC2 329784020 OYXDXWIBMCIRTR-UHFFFAOYSA-N 325.372 1.771 0 40 EDAB COC(=O)c1ccc(-c2nnn(CCCc3cnn(C)c3)n2)cc1 88500834 OKIOSIVVBYGZND-UHFFFAOYSA-N 326.360 1.493 0 40 EDAB O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1nccs1 44889308 RQTAIJLPARTOQJ-UHFFFAOYSA-N 346.456 1.778 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1ccc(C)nc1 87102425 AMTNQCXTHKOXTP-AWEZNQCLSA-N 328.420 1.921 0 40 EDAB COC(=O)CN1CCN(C(=O)CCc2ccc(F)cc2F)CC1 195578163 MKXNXCXLUGWEET-UHFFFAOYSA-N 326.343 1.215 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(Cc1ccoc1)C2)NCc1ccccn1 96206412 AIOGSWMUXOVWNS-APWZRJJASA-N 341.411 1.830 0 40 EDAB COCCNC(=O)[C@@H]1CN(Cc2cccs2)Cc2ccnn2C1 96188785 MSJOVWDTYKIBMH-CYBMUJFWSA-N 334.445 1.339 0 40 EDAB Cn1nc2c(cc1=O)C[C@@H](C(=O)NCCc1ccc(F)cc1)CC2 238869318 MNAFDEIYWZCCMM-ZDUSSCGKSA-N 329.375 1.383 0 40 EDAB O=C(c1ccccn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CCOCC1 96041653 NTDMTQRHWQRYSK-RCCFBDPRSA-N 346.427 1.897 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2[C@H](CNc3cccnc3)CC[C@@H]21 96250176 GWGYIWPMMZAROJ-RRQGHBQHSA-N 339.399 1.603 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 96476244 OUNBHXQTRRZTSQ-INIZCTEOSA-N 349.456 1.482 0 40 EDAB Cc1nnc(C[C@H]2C[C@H]3CN(C(=O)Cc4ccccc4)C[C@H]3O2)o1 96217667 HTZCKACJDDFEQZ-ARFHVFGLSA-N 327.384 1.779 0 40 EDAB CCO[C@H](C)c1noc(CN(C)Cc2cc(=O)n3ccsc3n2)n1 96443497 GUCCFDKMTXLKFB-SNVBAGLBSA-N 349.416 1.869 0 40 EDAB O=C(c1ccncc1)N1CCC2(CC1)CN(c1ccccn1)CCO2 96159000 CTIOGIKCXWVOPO-UHFFFAOYSA-N 338.411 1.988 0 40 EDAB CCN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 96181932 NVURPFUQLWDKNI-FUHWJXTLSA-N 347.434 1.899 0 40 EDAB O=C1NC2(CCN(S(=O)(=O)C3CC3)CC2)C[C@H]1c1cccnc1 96199489 VTDZEUUWKTZSHY-AWEZNQCLSA-N 335.429 1.012 0 40 EDAB O=S(=O)(c1ccc(F)cc1)N1CC[C@@H](O)[C@@H]1Cc1cccnc1 96200114 ZQHBLLNOOUWNRY-JKSUJKDBSA-N 336.388 1.587 0 40 EDAB COC[C@@H](NS(=O)(=O)c1cncc(C(=O)O)c1)c1ccc(C)o1 582665275 TWTOXKRQRWIDFA-GFCCVEGCSA-N 340.357 1.347 0 40 EDAB CCc1nncn1CCNS(=O)(=O)c1cccc2ccccc12 96460004 FXZBFAHCOAOXKD-UHFFFAOYSA-N 330.413 1.972 0 40 EDAB O=C(Cc1ccccn1)N1CCN(c2ccc3nccnc3n2)CC1 96483621 MDKZXKDYQAJCKM-UHFFFAOYSA-N 334.383 1.311 0 40 EDAB Cn1cc(CN2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)cn1 96061229 VAQNIILKQPZZCM-INIZCTEOSA-N 332.448 1.556 0 40 EDAB CN(C)CCn1ccc2ccc(NC(=O)CCn3cncn3)cc21 96418535 DMJOALCLLIWBQJ-UHFFFAOYSA-N 326.404 1.823 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@H](C)CN2CCN(C)CC2)ccc1F 96424120 HACXMRUTHUFCOK-ZDUSSCGKSA-N 343.468 1.296 0 40 EDAB Cn1cc(CN2CCCn3cnc(CN4CCCC4=O)c3C2)cn1 96259410 DVKWSVIHDHQEAB-UHFFFAOYSA-N 328.420 1.145 0 40 EDAB CN(c1ncccn1)[C@@H]1CO[C@]2(CCN(C(=O)c3ccc[nH]3)C2)C1 96219831 CUKMEJGCJFECBT-SUMWQHHRSA-N 327.388 1.315 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3cccnc3)C2)O1 96206447 BSNXMSIXCQYHIS-JKSUJKDBSA-N 339.461 1.144 0 40 EDAB C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(N2CCC(O)CC2)cc1 580693536 VAJRJPNFKWTDTM-LRDDRELGSA-N 331.416 1.045 0 40 EDAB CN(C)C(=O)COCc1cncc2c1CCN(c1ncccn1)C2 247959682 FAMAEBORWPUDNQ-UHFFFAOYSA-N 327.388 1.039 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)Oc1ccc(-n2cnnn2)cc1 24694657 CQTPAGCIDLDRDH-UHFFFAOYSA-N 338.323 1.929 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(CO)C(=O)O)cc1 252514448 CMBXNNHKDHTMJE-NUJGCVRESA-N 346.404 1.998 0 40 EDAB CC[C@](O)(C(=O)NCc1nc(N(C)C)no1)c1cccc(Cl)c1 252510025 ZAKAOEYMCMNTCJ-OAHLLOKOSA-N 338.795 1.703 0 40 EDAB Cn1nc(N)c2ccc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)nc21 257329919 XLZYGLBTAVCSOB-CYBMUJFWSA-N 342.447 1.352 0 40 EDAB O=C(N[C@H](Cc1cccc2ccccc12)C(=O)O)[C@@H]1COCCO1 585134257 KDLXBIZJXVILBT-CVEARBPZSA-N 329.352 1.367 0 40 EDAB CN1CCN(CC(=O)N=[S@@](C)(=O)N(C)C)c2ccc(F)cc21 585117389 ZXAGOGLJKYWIOZ-JOCHJYFZSA-N 328.413 1.183 0 40 EDAB O=S1(=O)CCN(Cc2cnc(-c3ccccc3)o2)[C@@H]2CCOC[C@H]21 585136636 NSVVLYZHIXFYCJ-HZPDHXFCSA-N 348.424 1.730 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)Cc1ccsc1 257241700 HZEVSFFOZODCGG-INIZCTEOSA-N 330.413 1.345 0 40 EDAB CN1CCN(C[C@@]2(O)CCN(C(=O)c3cccc(Cl)c3)C2)CC1 257320896 VZCVLOPSCUUTRV-KRWDZBQOSA-N 337.851 1.164 0 40 EDAB Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N(C)C 257226153 FJIRPIRLANPUGV-JHNDHUHGSA-N 345.399 1.224 0 40 EDAB CCCCS(=O)(=O)N1CCC(CN2CCN(C)C[C@@H]2C)CC1 85468278 QJWUNYRIDXKWKB-HNNXBMFYSA-N 331.526 1.464 0 40 EDAB COc1cccc(CC(=O)N2CCOC[C@H](Cc3ccncn3)C2)c1 257284069 PBCJAIVTHSJMBP-MRXNPFEDSA-N 341.411 1.745 0 40 EDAB CN(C)Cc1cnc(CC2CCN(CC3(O)CCOCC3)CC2)cn1 257309994 UDGPLOAKQUGCTB-UHFFFAOYSA-N 348.491 1.334 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)O)CC1 262868644 WGFIQEZLTGFUID-DYVFJYSZSA-N 339.436 1.530 0 40 EDAB COC1(CO)CCN(c2nnnn2Cc2ccccc2Cl)CC1 1616034102 XKJWQDPHIVHXTP-UHFFFAOYSA-N 337.811 1.353 0 40 EDAB CC(C)(C)OC(=O)N1C[C@]23CNC[C@]2(C1)CN(C(=O)C(F)(F)F)C3 601012373 CGJLPTLVWVGQSA-ZIAGYGMSSA-N 349.353 1.218 0 40 EDAB O[C@H]1[C@H]2C[C@@H]3[C@@H]4[C@@H]2C[C@H]([C@@H]4O)N(c2nc(C(F)(F)F)cs2)[C@H]13 606445138 XAOIMKHXOZLAGE-UCLXZUIWSA-N 332.347 1.727 0 40 EDAB COCCn1c(-c2ccnn2C)nnc1N1CCOC2(CCC2)C1 1615555309 QRUCXWVRJLPAAO-UHFFFAOYSA-N 332.408 1.084 0 40 EDAB CC(C)CC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccncc3)[C@H]2C1 575405888 URWXJEQDTKLXEZ-ARFHVFGLSA-N 331.416 1.331 0 40 EDAB CO[C@H]1CCCN(S(=O)(=O)c2ccccc2)[C@H]1CCC(N)=O 585277549 IMMGYIYUFUEPSU-KBPBESRZSA-N 326.418 1.120 0 40 EDAB Cc1noc(CC(=O)N2CCC3(CC[C@H](c4nc(C)no4)O3)CC2)n1 585113415 CEECFCXYJVYGEV-GFCCVEGCSA-N 347.375 1.525 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)Cc2ccccc2Br)[C@@H]1O 585290833 HJSKMJXEQUIYSF-MCIONIFRSA-N 330.222 1.656 0 40 EDAB COC[C@]1(CC(=O)NCc2ccccc2F)CN(C(C)=O)CCO1 585280823 PSPIGSHCZYEQKX-KRWDZBQOSA-N 338.379 1.096 0 40 EDAB CCc1n[nH]c([C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 83830190 GWXGHUCOGWLZBB-AWEZNQCLSA-N 326.404 1.827 0 40 EDAB C[C@@H](Cc1ccsc1)NC(=O)c1ccc(CNS(C)(=O)=O)o1 84753156 JJWORDGIUPMSTA-JTQLQIEISA-N 342.442 1.751 0 40 EDAB Cc1nc(S(=O)(=O)N2CCCN(C)c3ccc(F)cc32)cn1C 77398679 ZBRHOGJBORCUJW-UHFFFAOYSA-N 338.408 1.903 0 40 EDAB O=C(NCc1ccccc1CN1CC[C@H](O)C1)[C@H](O)c1ccccc1 97081937 VBHREDOVFKUZOK-RBUKOAKNSA-N 340.423 1.603 0 40 EDAB CC(C)(C)c1nnc(N2CCC[C@H](C(=O)N3CCOCC3)C2)s1 301701316 SREVVMYOVLSMJV-LBPRGKRZSA-N 338.477 1.911 0 40 EDAB Cc1cc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)on1 661181353 WVPXJQFTJQTNDJ-IYBDPMFKSA-N 325.368 1.600 0 40 EDAB O=C(NCCc1ccc(Cl)cc1)NC[C@@H]1CN2CCCN1CC2 1616034523 HVALWJHFSGURHH-MRXNPFEDSA-N 336.867 1.572 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1NCCO 5278388 BHWPGECMVNUZMR-ZFWWWQNUSA-N 334.416 1.943 0 40 EDAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 13572720 OBEZRCYYBPFVDT-HFTMEMGYSA-N 327.384 1.225 0 40 EDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 16322290 INIRJTNCYWBPLJ-GFCCVEGCSA-N 326.418 1.375 0 40 EDAB COc1c(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c(C)nn1C 19577973 CKPARNXSDXCOFI-MRXNPFEDSA-N 342.447 1.510 0 40 EDAB CCN(CC)c1nc([C@@H](C)n2ncc3ccccc3c2=O)cc(=O)[nH]1 19717544 CFZPKMZNSFNVGS-GFCCVEGCSA-N 339.399 1.935 0 40 EDAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccncc3)ccc21 19936742 IPECVVOSIBYVBS-UHFFFAOYSA-N 333.369 1.488 0 40 EDAB Cn1c(SCC(=O)NC2CCCC2)nc2c(c1=O)SCC2 9560237 PSQHIPYRBUAUEF-UHFFFAOYSA-N 325.459 1.579 0 40 EDAB COCCCNC(=O)NCc1nnc2cc(C(F)(F)F)ccn12 238863988 LIGOLDAQOJYZDQ-UHFFFAOYSA-N 331.298 1.584 0 40 EDAB O=S(=O)(C1CCCCC1)N1CCC[C@@H](Oc2ccncn2)C1 575604606 AHTUNSWXSFZSBN-CYBMUJFWSA-N 325.434 1.982 0 40 EDAB CC(NCCc1ccc(Cl)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 6904187 BYDXMIKCJRADCC-UHFFFAOYSA-N 335.791 1.797 0 40 EDAB CCc1ncnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1F 1888844262 MSDNBMUAUBYGSY-UHFFFAOYSA-N 347.394 1.574 0 40 EDAB O=C(c1cc[nH]n1)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888867058 ITLIBHJDXPYRNC-BZNIZROVSA-N 331.351 1.660 0 40 EDAB Cc1ccnc(N2C[C@H]3CN(c4cc(=O)n5ccccc5n4)C[C@@H]3C2)n1 1888875820 HPIKKRVMGGVNDW-HUUCEWRRSA-N 348.410 1.366 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(Cc2cccc(Br)c2)CCO1 1889098111 QDGJROKCMVURGU-AWEZNQCLSA-N 339.233 1.929 0 40 EDAB C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccccc1 22409483 HKNAZEDNUIRYGF-LLVKDONJSA-N 340.426 1.374 0 40 EDAB O=C(c1cncnc1)N1CC[C@H]2[C@@H](COCCN2c2ccccc2)C1 2037984768 NFNGIWBXBRISAU-AEFFLSMTSA-N 338.411 1.844 0 40 EDAB O=C(c1cncnc1)N1CC2(C[C@H](NCc3cccnc3)CS2)C1 2056224257 NPPAFSIQULRFNA-HNNXBMFYSA-N 341.440 1.362 0 40 EDAB O=C(CC1CCOCC1)N1CC[C@H]2C[C@]21C(=O)NCc1cccnc1 2056226019 HWZAOFSLCDPOIS-QFBILLFUSA-N 343.427 1.506 0 40 EDAB O=C(c1cnn2ccccc12)N1CCc2ncnc(NC3CC3)c2CC1 1565554974 MLASRRKGMGZRJI-UHFFFAOYSA-N 348.410 1.940 0 40 EDAB O=C([C@H]1[C@H]2COC[C@H]21)N1CCC2(CC[C@@H](C(=O)N3CCCC3)C2)CC1 1565548628 GNSHNGZZAJRVIL-WCXIOVBPSA-N 346.471 1.910 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CC(OC[C@H]2CCOC2)C1 1565523237 JVHSPZBKEIGLQV-ZDUSSCGKSA-N 334.372 1.362 0 40 EDAB CCOC(=O)N[C@@](Nc1cc(C)on1)(C(=O)OCC)C(F)(F)F 3138069 IZNKXFNTLBVEKE-NSHDSACASA-N 339.270 1.963 0 40 EDAB Cc1ccc(N2C[C@@H](NC(=O)N3CCN(C)CC3)CC2=O)cc1C 5187465 HFVVZVMVBWUHII-HNNXBMFYSA-N 330.432 1.366 0 40 EDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(Cc2cccnc2)CC1 2055746280 JKRIQOXESSXRDS-UHFFFAOYSA-N 342.447 1.350 0 40 EDAB CC1CCN(C(=O)c2ncn3c2CC[C@H](C(=O)NC2CCC2)C3)CC1 2055714577 IVSDGKZUAQPJID-AWEZNQCLSA-N 344.459 1.986 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)CO[C@@H](COc1ccccn1)C2 2055806570 JUJSHOITAOLKQB-HZPDHXFCSA-N 346.427 1.895 0 40 EDAB O=C(c1cccc(-n2cccn2)c1)N1CCN(c2cccnc2)C(=O)C1 585150103 CHBNFBFNRSZPRZ-UHFFFAOYSA-N 347.378 1.756 0 40 EDAB COc1ccccc1-n1ncc2c(C)nnc(SCC(N)=O)c21 23137839 PGKHRPSGEOSNBK-UHFFFAOYSA-N 329.385 1.710 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)CCc2cc(F)ccc2F)CC1 52053493 VMYQUIBRFIWYJY-UHFFFAOYSA-N 346.399 1.391 0 40 EDAB O=C(NCCNC(=O)[C@@H]1Cc2cc(F)ccc2O1)C1CCCCC1 96418239 BIQBICYDGFJNTD-INIZCTEOSA-N 334.391 1.942 0 40 EDAB Cc1nn(C)cc1CNC(=O)[C@@H](C)Oc1nn(C)c2ccccc12 226755280 QOCXDUSRPMYJET-GFCCVEGCSA-N 327.388 1.699 0 40 EDAB CN(C)C(C)(C)CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 40144857 POZONYWQIPCEMT-UHFFFAOYSA-N 348.422 1.761 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)COc2ccccc2Cl)CC1 40497269 DOWVECQHOQTZRA-UHFFFAOYSA-N 346.836 1.259 0 40 EDAB CC1(C)Cc2cccc(OCC(=O)NCc3nnc4n3CCC4)c2O1 40490016 FGDDZQWTUCLGLG-UHFFFAOYSA-N 342.399 1.633 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1Cc1nc(Cc2ccccc2)no1 31646444 XIUOFESJMXNKPP-INIZCTEOSA-N 344.396 1.588 0 40 EDAB COc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1F 40520486 HUTMYHKVGYBPJQ-UHFFFAOYSA-N 346.424 1.223 0 40 EDAB Cc1noc(C)c1C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 40536001 GTOYYLSXXSONCP-LLVKDONJSA-N 330.388 1.842 0 40 EDAB O=C(Cc1csc(-c2cccnc2)n1)NCCN1CCOCC1 31868179 UPSAMJMDLZXNNG-UHFFFAOYSA-N 332.429 1.196 0 40 EDAB Cc1nn(C)c(C)c1CCNc1c(NCc2ccncc2)c(=O)c1=O 101693380 GVOHPCRECPPBHA-UHFFFAOYSA-N 339.399 1.295 0 40 EDAB C[C@H]1CN(C(=O)CS(=O)(=O)C/C=C/c2ccccc2)C[C@@H](C)O1 32929653 ITTXFZTVRVJVTC-QHLGLPELSA-N 337.441 1.750 0 40 EDAB CCS[C@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1)C(C)C 69896897 BIHANEYRFJVMAS-RDBSUJKOSA-N 348.534 1.142 0 40 EDAB NC(=O)c1cnn2c1NC[C@H](CNCCCOc1ccccc1F)C2 69841962 JLALDYCKCBJOEX-LBPRGKRZSA-N 347.394 1.222 0 40 EDAB Cc1noc(CN2CCN(CCC(=O)NC3CCCCC3)CC2)n1 69876236 KJCAOKSHDUVKFU-UHFFFAOYSA-N 335.452 1.335 0 40 EDAB CN(C)c1cccc(CNC(=O)N2CCN(Cc3ccon3)CC2)c1 96444008 HIXJQTUYEFSDBK-UHFFFAOYSA-N 343.431 1.768 0 40 EDAB CC(C)CO[C@@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69972535 UEFWQSBUKXCQCS-WMZOPIPTSA-N 334.460 1.925 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N(CCO)c2ccc(F)cc2F)C1 92278482 VMPVYWJUKVJHOI-NSHDSACASA-N 334.388 1.740 0 40 EDAB CC(C)(CNC(=O)c1cccc(I)c1)C(N)=O 77818988 XDNHSLVVXWFICE-UHFFFAOYSA-N 346.168 1.533 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3ccc4nncn4c3)CCO2)n1 78890233 UGFLBIWFSRIHAV-GFCCVEGCSA-N 341.375 1.014 0 40 EDAB COc1ccccc1CC(=O)NC[C@@H]1CCCN1c1cccnn1 78820811 TXNNPHZQEJKVAD-HNNXBMFYSA-N 326.400 1.813 0 40 EDAB CC(C)CC(=O)NCCC(=O)NC1CCN(C(=O)c2ccoc2)CC1 78874934 JZEQCSDSIHAHHF-UHFFFAOYSA-N 349.431 1.553 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)cc1F 41904596 XDKRAFQUQAGPFB-ZDUSSCGKSA-N 330.363 1.500 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=O)NC2CCC(O)CC2)cc1 47633570 CTUHYCMHTRZIFE-UHFFFAOYSA-N 326.418 1.193 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2n1CCOC 8725363 NIPRUHMGRAYQON-JTQLQIEISA-N 336.417 1.619 0 40 EDAB Cc1nn(C)cc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 108536542 LHKIMAVKYRDURP-HKUYNNGSSA-N 346.475 1.580 0 40 EDAB Cn1ccnc1C[C@H](NC(=O)CN1CCCCC1=O)c1ccccc1 96431878 ZNQULISTWOYVMB-INIZCTEOSA-N 340.427 1.833 0 40 EDAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H]1CCS(=O)(=O)C1 42870918 SNHUCRWGPYFKNF-CMPLNLGQSA-N 328.459 1.954 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3C4C5[C@]6(CCOCC[C@]516)[C@H]2[C@@H]43 104287763 FXYDLYZRFOYFEA-KIEAQODYSA-N 349.390 1.199 0 40 EDAB CC[C@H]1CN(Cc2nccn2CC(F)(F)F)CCN1C[C@H](C)O 106906957 QINKEOVBLWPGSR-STQMWFEESA-N 334.386 1.722 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCOC3)ccc21 56130197 BEERWBZMTABEQL-ZDUSSCGKSA-N 338.429 1.301 0 40 EDAB O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCO[C@@H]2CCC[C@@H]21 56194960 JNOLQNCHGDWGLO-JKSUJKDBSA-N 343.358 1.765 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(Cl)c[nH]2)cc1 25840797 IOYWZHNMUXGUBK-UHFFFAOYSA-N 341.820 1.647 0 40 EDAB O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NC1CCCC1 25825573 PESJLDRAARJSTE-UHFFFAOYSA-N 329.444 1.940 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)N1CCCCC1)c1c(F)cccc1F 71909117 ILXOZHQRJCNPPC-CQSZACIVSA-N 347.431 1.888 0 40 EDAB C[C@H](NC(=S)NCCCN1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2 102664016 RCRSUUKSJLBIGR-VGWMRTNUSA-N 325.522 1.998 0 40 EDAB Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C 101074232 QOOKFECIGXERRL-XOUADPBQSA-N 349.390 1.796 0 40 EDAB CCOC(=O)CCNS(=O)(=O)c1ccccc1Br 44315841 GKXBXPZRWSLGES-UHFFFAOYSA-N 336.207 1.681 0 40 EDAB Cc1noc(-c2ccc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cc2)n1 44723995 IPHLTWISFJSNEN-LLVKDONJSA-N 335.385 1.210 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CCn1ncc(=O)c2ccccc21 44889037 FDJYORQRWXUUCO-UHFFFAOYSA-N 325.372 1.776 0 40 EDAB CC(C)NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 58209957 CEAAEGSQZBUGPQ-UHFFFAOYSA-N 328.434 1.909 0 40 EDAB Cc1ccnc2nc(C(=O)NCCN3CCCc4ccccc43)nn12 58267415 PHWYANAIIOQDAC-UHFFFAOYSA-N 336.399 1.615 0 40 EDAB CCCN(C)c1ccc(C(=O)N2CCN(CC(=O)NCC)CC2)cc1 58341635 DEPFZDFVULTQOE-UHFFFAOYSA-N 346.475 1.427 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCc2ccc(F)cc2)CC1 58394241 RNFMJRLFZNVWMY-KRWDZBQOSA-N 347.434 1.699 0 40 EDAB COC(=O)C1(NC(=O)C[C@H]2CCS(=O)(=O)C2)CCCCCC1 58323857 WMWVDUGCRYVXSB-GFCCVEGCSA-N 331.434 1.193 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1ccn(C)n1 58415074 XYRNHLRFAUJHGT-SNVBAGLBSA-N 337.405 1.292 0 40 EDAB Cc1cc(C)c(S(=O)(=O)Nc2nc(O)c3[nH]cnc3n2)cc1C 28249494 LONCSNQCGNXLKZ-UHFFFAOYSA-N 333.373 1.785 0 40 EDAB O=S(=O)(CCN1CCC2(CC1)OCCO2)Oc1ccccc1 45749053 ZMSOPSLRPIANNA-UHFFFAOYSA-N 327.402 1.234 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3cc(C)n(C)n3)CC2)cc1F 97513409 DZUDGVWZRWEQDL-UHFFFAOYSA-N 346.406 1.834 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)N[C@H](C)[C@@H]2CCCO2)cc1F 29735266 QSXMVMCKZWKCOP-DOMZBBRYSA-N 337.395 1.731 0 40 EDAB CC(C)CCNC(=O)COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 3479452 CLEHIYLAPCSRPS-GFCCVEGCSA-N 346.383 1.377 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1Cc2ccccc2O1 84581744 DAJWANSOCHWANO-MRXNPFEDSA-N 325.368 1.860 0 40 EDAB O=C(COC(=O)C1(O)CCCCC1)Nc1cccc2nsnc12 19101860 VTQBOMUTSDJUDU-UHFFFAOYSA-N 335.385 1.868 0 40 EDAB CN(CCCC(=O)NC(N)=O)Cc1cc(Br)ccc1F 63741826 NPWNHMFYDNCGBJ-UHFFFAOYSA-N 346.200 1.995 0 40 EDAB CN1CCCN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)CC1 65473777 HCUQASPWDPZKJA-UHFFFAOYSA-N 329.408 1.268 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)N1CCC[C@H](N2CCCC2)C1 65443137 ILQUZOOEWFHQNS-HNNXBMFYSA-N 341.419 1.754 0 40 EDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 65403866 OCAVWJFLPZTXIH-CYBMUJFWSA-N 349.431 1.125 0 40 EDAB C[C@H](NC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F)C1CC1 65553264 PCAMOFOVLGWBDK-QMMMGPOBSA-N 344.383 1.934 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCN(c2ncccn2)CC1 65553879 BIZGHMCJRQCCHF-UHFFFAOYSA-N 340.309 1.041 0 40 EDAB CN(C)c1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1 5305165 WQZSHQINUNJXIV-UHFFFAOYSA-N 337.383 1.886 0 40 EDAB C[C@H](NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)[C@@H]1CCCO1 65610122 JYGJLRZQQVWFAG-BBRMVZONSA-N 347.415 1.427 0 40 EDAB CN(c1ccccc1)C1CCN(CCC(=O)N2CCOCC2)CC1 65956267 HVNIEBQJRLVMEV-UHFFFAOYSA-N 331.460 1.836 0 40 EDAB Cc1noc2ncc(C(=O)N3CCCN(c4cccnn4)CC3)cc12 71860333 YYQSEANUYUCVIQ-UHFFFAOYSA-N 338.371 1.674 0 40 EDAB CC(C)NC(=O)CN(CC(N)=O)Cc1ccc(Br)cc1 71819470 GEOGMUROTQSTRA-UHFFFAOYSA-N 342.237 1.261 0 40 EDAB Cc1cnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 6839701 UVBWESQXIRPKSH-UHFFFAOYSA-N 325.415 1.954 0 40 EDAB COC(=O)[C@H](c1cccnc1)N1CCC[C@@H](Cc2nccn2C)C1 90003590 HWXWTRCYPDFJLX-YOEHRIQHSA-N 328.416 1.984 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)Nc2cc(C)on2)C(N)=O)cc1 71826854 ZXWFABXHHXVJEK-CYBMUJFWSA-N 346.387 1.847 0 40 EDAB CNC(=O)c1cnc(/C=C/c2ccc(OCCC(=O)O)cc2)[nH]c1=O 68274239 CQWBRZJSTRPMEX-QPJJXVBHSA-N 343.339 1.153 0 40 EDAB C[C@H](Oc1ccccc1F)C(=O)NN1C(=O)NC2(CCCCC2)C1=O 23187344 JAJVPPBRYQWSLB-NSHDSACASA-N 349.362 1.879 0 40 EDAB COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3c[nH]cn3)C2=O)c1 93840848 QCVPVNKIOLESGF-MRXNPFEDSA-N 330.388 1.664 0 40 EDAB C[C@H](NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccn1 8194547 ZOTLRZDIBCVUJR-MELADBBJSA-N 327.384 1.600 0 40 EDAB Cc1cc(NC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)on1 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347.507 1.812 0 40 EDAB O=C(Cn1cnc2cc(F)ccc2c1=O)NCc1ccccc1F 8506809 OQPPAXMNUDTSRW-UHFFFAOYSA-N 329.306 1.991 0 40 EDAB C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 69780035 YAQLIKCYBRFJNR-QMMMGPOBSA-N 331.294 1.591 0 40 EDAB Cc1nc(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)cs1 96416566 UYRIWTFIHJMNCO-UHFFFAOYSA-N 332.433 1.270 0 40 EDAB Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)nc1 9753004 FYUVZUXZJCNCIW-NSHDSACASA-N 337.376 1.835 0 40 EDAB O=C(OCC(=O)c1ccc(O)cc1O)c1ccc2c(c1)OCCO2 9836570 TUPAGXLCMQQXKV-UHFFFAOYSA-N 330.292 1.909 0 40 EDAB C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)c1nnc2n1CCC2 95461157 HTPNJJBWHGYVRK-VIFPVBQESA-N 333.779 1.694 0 40 EDAB Cc1nccn1CCCCNC(=O)Nc1ccc(-n2cnnn2)cc1 97010061 XZZIOGQYWKALPI-UHFFFAOYSA-N 340.391 1.769 0 40 EDAB Cc1cnc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)cn1 97082199 VWERXYGXSHYGAA-QGZVFWFLSA-N 340.427 1.672 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)ccc1=O 72231988 AJFPKPLAEUORKM-ZDUSSCGKSA-N 345.403 1.755 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cn1 72269319 OXMQTFBBNDWENR-HOTGVXAUSA-N 333.432 1.540 0 40 EDAB COc1ccccc1CCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269038 OIYHGJJQXZMKQO-IAGOWNOFSA-N 332.444 1.685 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2CCCN(c3cnccn3)C2)no1 84280770 VVDLXGKWJVQZPA-UONOGXRCSA-N 342.403 1.748 0 40 EDAB Cc1nccc(N2CCN(C(=O)NCc3nc(C)c(C)o3)CC2)n1 97136638 ZGIILCHZRDNRFY-UHFFFAOYSA-N 330.392 1.422 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)N(CC(N)=O)C(C)(C)C)CC2=O)cc1 97165016 BXEXZODCJFCVEK-CYBMUJFWSA-N 331.416 1.460 0 40 EDAB C[C@@H](CO)CNC(=O)c1cn(-c2ccc(Br)cc2)cn1 95439879 CUFANFMSDUNNFB-SNVBAGLBSA-N 338.205 1.993 0 40 EDAB COC(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 95458160 CYRCZGBUWVTXAF-PBHICJAKSA-N 334.372 1.933 0 40 EDAB O=C(NCCCN1CCOCC1)NC[C@@H]1C[C@@]12CCc1ccccc12 88478480 JOXWLGBUQOBFGM-PXNSSMCTSA-N 343.471 1.912 0 40 EDAB CN1CCC(CCNC(=O)N2CCN(Cc3ccon3)CC2)CC1 74086420 FFASMIQRBPKMKN-UHFFFAOYSA-N 335.452 1.234 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)N[C@H](Cc1ncc[nH]1)c1ccccc1 95974043 KOMNLUDTQHDZMQ-HUUCEWRRSA-N 341.415 1.614 0 40 EDAB O=c1[nH]c(CCN2CCN(c3ncccn3)CC2)nc2ccccc12 85876842 XIOLMLLCBYPFNB-UHFFFAOYSA-N 336.399 1.078 0 40 EDAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCC(N2CCNC2=O)CC1 89396202 WVKBRTRBYFMCHA-OAHLLOKOSA-N 335.379 1.529 0 40 EDAB C[C@H](NS(=O)(=O)c1cnn(C)c1)[C@H](O)c1ccc(F)c(F)c1 89598481 DCOVUAWCMFTZPG-SDBXPKJASA-N 331.344 1.099 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N(CCN1CCCC1)c1ccccc1 75143909 ZKNHPLQTKSORDT-OAHLLOKOSA-N 336.457 1.550 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c(=O)[nH]1 75124410 BBDJXGDYOBXMDR-UHFFFAOYSA-N 332.791 1.694 0 40 EDAB Cc1nc(CCNC(=O)N2CCC[C@H](c3nncn3C)C2)cs1 89709095 MYJLKLQTHPBLRA-LBPRGKRZSA-N 334.449 1.712 0 40 EDAB CC(C)CNC(=O)[C@H](C)NCc1nnc2n1CCC[C@H]2C(F)(F)F 89840229 XPDNURNEQURAHB-WDEREUQCSA-N 347.385 1.968 0 40 EDAB COC[C@H](O)CNC(=O)N[C@@H](C)Cc1ccccc1Br 89904202 DHGRRXYYJZWWLT-CMPLNLGQSA-N 345.237 1.687 0 40 EDAB Cc1cc(C(=O)NC[C@H]2CCCN2[C@@H]2CCN(C3CCC3)C2=O)no1 1027743579 LTQPHEILNLNWBS-GDBMZVCRSA-N 346.431 1.331 0 40 EDAB C[C@H](NC(=O)NCC(=O)N1CCOCC1)c1ccc2c(c1)CCCC2 183437777 KIAVDRKENPIKON-AWEZNQCLSA-N 345.443 1.784 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2C)s1 36182586 UUVHTHCEXVSDBP-UHFFFAOYSA-N 326.403 1.283 0 40 EDAB Nc1nccc([C@H]2CCCN(C(=O)[C@@H](N)Cc3ccc(F)cc3)C2)n1 72355911 IRERDQVPLDZDCY-ZFWWWQNUSA-N 343.406 1.474 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C)cc2C)s1 36182767 TZDUSRWFNIYIMU-UHFFFAOYSA-N 326.403 1.914 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(COC)C(=O)O 218448159 HKTMNCQMPQOEMH-SGMGOOAPSA-N 332.805 1.958 0 40 EDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NCCC(C)C 72403212 NPKBGDLSRYMKPF-ZDUSSCGKSA-N 327.450 1.635 0 40 EDAB Cc1nc(N)cc([C@@H]2CN(C(=O)CCc3ccccc3)CCO2)n1 72387861 RKGJJNPEUYSQHD-INIZCTEOSA-N 326.400 1.900 0 40 EDAB O=C(CN1CCCC1)N1CCC[C@H]1c1cncc(-n2ccnc2)n1 72378796 VTKDLQRNAYSJTN-HNNXBMFYSA-N 326.404 1.422 0 40 EDAB COCCC(=O)N1CCC2(CC1)CN(C(C)=O)Cc1ccccc1O2 72394339 NBZKWMNCCKMUHJ-UHFFFAOYSA-N 346.427 1.825 0 40 EDAB COc1ccc(CCNC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1 77286720 GLFNPNBHWOMHBI-GOSISDBHSA-N 330.384 1.835 0 40 EDAB in-vitro CN1CCN(C(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 46971213 PTFDCDUYEDCAGX-UHFFFAOYSA-N 349.862 1.966 0 40 EDAB CC1(C)Oc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2NC1=O 46088703 HYBKNRGYGNNVIC-JTQLQIEISA-N 340.401 1.253 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)Cn3ccnc3C)n2)cn1 225815693 OAOKAORZTRLPSW-UHFFFAOYSA-N 342.359 1.352 0 40 EDAB CC[C@@H](NC(=O)Cn1ncn(C)c1=O)c1ccc2c(c1)CC(C)(C)O2 225560669 ZXMPYEQHDLNANX-CQSZACIVSA-N 344.415 1.563 0 40 EDAB CCCC[C@H](CC)CNS(=O)(=O)c1nnc(NC(C)=O)s1 225120397 CSWVYQUDUSZCFQ-JTQLQIEISA-N 334.467 1.991 0 40 EDAB CC(C)N1CCOC[C@]2(CC[C@H](CNc3cc(N(C)C)ncn3)O2)C1 96160701 AWPUDCWVABNVPE-QAPCUYQASA-N 349.479 1.613 0 40 EDAB Cc1nc(C[C@@H]2OC[C@H]3CN(C(=O)c4c(C)noc4C)CC[C@@H]23)n[nH]1 96209139 YHYAJWNKDNNCPW-MCIONIFRSA-N 345.403 1.438 0 40 EDAB CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(C(=O)c3ccsc3)CC[C@@H]21 96185570 LTEUGSBDSVLXPA-PMPSAXMXSA-N 335.473 1.761 0 40 EDAB CO[C@H]1CCN(C(=O)c2ccc3c(c2)OCCCO3)[C@H]2CCO[C@H]12 96217801 WDFGNARDAXNKCP-QRTARXTBSA-N 333.384 1.866 0 40 EDAB Cc1cc(C(=O)N2CCn3cc(CN4CCCCC4)nc3C2)no1 96197269 LMBRCHFFLWWBAZ-UHFFFAOYSA-N 329.404 1.821 0 40 EDAB COC[C@@H]1CC2(CCN(CC3CCC3)CC2)CN1CC(=O)N(C)C 96217707 JQSDBKSYBFQJMU-KRWDZBQOSA-N 337.508 1.678 0 40 EDAB Cn1ccnc1CNC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccco2)O1 96055598 LZPRTUBRSKQZQC-KFWWJZLASA-N 330.388 1.061 0 40 EDAB O=C(c1ccco1)N1CCOC[C@]2(C[C@H](CN3CCCC3)CO2)C1 96052031 BNAFWLPEHYKZNV-QAPCUYQASA-N 334.416 1.623 0 40 EDAB CCCS(=O)(=O)N1C[C@H](OCc2ccccn2)[C@H]2COC[C@H]21 96185116 UWQXCMLFLZFNRX-ZNMIVQPWSA-N 326.418 1.037 0 40 EDAB CC(C)NC(=O)[C@@H]1C[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)O1 96186547 LEFNNLIXZMERPT-ZQIUZPCESA-N 332.400 1.672 0 40 EDAB COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O1 96043172 VXKBNRYYXVKKSM-IMJJTQAJSA-N 337.420 1.033 0 40 EDAB O=C(C1CCN(C2CCN(CC3CCC3)CC2)CC1)N1CCOCC1 96260823 DSTMSXQSWRMYSW-UHFFFAOYSA-N 349.519 1.822 0 40 EDAB O=C(CO[C@H]1CO[C@@]2(CCN(Cc3ccco3)C2)C1)N1CCCC1 96107747 DVFPRMNHGPHBKM-AEFFLSMTSA-N 334.416 1.652 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@H](C)N2CCN(C)CC2)ccc1F 96420448 ZSRTVENYAROSPO-ZDUSSCGKSA-N 329.441 1.048 0 40 EDAB Cn1cccc1C(=O)N1CCC2(CC1)C[C@H](c1cccnc1)C(=O)N2 96199469 WRVQEJDVGWXMBQ-OAHLLOKOSA-N 338.411 1.699 0 40 EDAB Cc1nnc(N2C[C@@H](F)C[C@H]2CNCc2cccc3cn[nH]c23)o1 583623150 UTRIYYHUUOETIC-KBPBESRZSA-N 330.367 1.961 0 40 EDAB CC(C)n1cc([C@@]2(O)CCN(CC(=O)N3CCCCCC3)C2)nn1 583618482 ZZBWLSZVBFJFBV-QGZVFWFLSA-N 335.452 1.155 0 40 EDAB O=C(NC[C@H](O)Cc1ccccc1)c1cnn(-c2ccc(F)cc2)n1 96415620 DMHLDAAYOFJPAZ-MRXNPFEDSA-N 340.358 1.740 0 40 EDAB COc1ccc(CC(=O)N2C[C@H](C(=O)O)CC[C@@H]2C(=O)O)cc1F 585134067 CEVPYOMAMWVEEN-ZYHUDNBSSA-N 339.319 1.153 0 40 EDAB COc1ccc(OCC(=O)N2CCO[C@@H](c3nccc(C)n3)C2)cc1 257300049 RSRFRNFSYPQARQ-MRXNPFEDSA-N 343.383 1.773 0 40 EDAB COc1ccc(OCC(=O)N2CCO[C@@H](c3nc(C)cn3C)C2)cc1 257237949 HIYJYCDGXWQSJO-MRXNPFEDSA-N 345.399 1.716 0 40 EDAB CN(CCc1ccccn1)[C@H]1[C@H](N)C[C@@H](Oc2ccc(F)cc2)[C@@H]1O 257238495 HLFKUOHSIYOSLP-YRXWBPOGSA-N 345.418 1.603 0 40 EDAB Cn1cc(C(=O)N2CCC3(CC2)CO[C@@H](Cc2cnccn2)C3)cn1 257255916 KJJXZODEBMRNLK-INIZCTEOSA-N 341.415 1.464 0 40 EDAB CC1CCN(CC(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)CC1 257224955 FECSAWBIDCABFN-MRXNPFEDSA-N 348.447 1.074 0 40 EDAB O=S1(=O)NC(CN2CCN(CCC3CC3)CC2)=Nc2ccccc21 1615586482 AGJDWIXBJKYMDV-UHFFFAOYSA-N 348.472 1.426 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCn1ccc(-c2ccncc2)n1 96098814 MIUGTWROZFPIPQ-UHFFFAOYSA-N 347.400 1.528 0 40 EDAB CCOCC(=O)N1CC2(C[C@@H](OCc3cccc(C)n3)CCO2)C1 575406569 YIZKJZGICGFHHJ-INIZCTEOSA-N 334.416 1.703 0 40 EDAB O=C(Cc1ccc(F)cc1F)N1CCN(c2cccnc2)C(=O)C1 585150270 OELNHADHDVAGGO-UHFFFAOYSA-N 331.322 1.778 0 40 EDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC(=O)N(C2CC2)C1 585137255 OYUBNXWOALIAMC-OAHLLOKOSA-N 328.416 1.235 0 40 EDAB 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Cc1cc(NC(=O)CN(C)Cc2nc3ccsc3c(=O)[nH]2)n(C)n1 97161873 HHJMAMOERQCVLN-UHFFFAOYSA-N 346.416 1.097 0 40 EDAB O=C(N1CCSCC1)N(CCN1CCOCC1)[C@@H]1CCSC1 585115346 XGENFAWVAUKHCH-CQSZACIVSA-N 345.534 1.295 0 40 EDAB CNc1snc(C)c1C(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 40512364 NAOIRFABDUNPPT-MXWKQRLJSA-N 326.466 1.721 0 40 EDAB O[C@@H](CSc1ncccc1Br)CN1CCOCC1 96501756 JCYSFHAUKLNLTJ-SNVBAGLBSA-N 333.251 1.629 0 40 EDAB Cc1nc(O)c2nnn(C[C@H]3CCCN3C(=O)C3CCCC3)c2n1 12337180 WJZCLPAESNAIPC-GFCCVEGCSA-N 330.392 1.417 0 40 EDAB Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)NCc1ccccn1)CS2 12668327 XKXACROITSIUCG-ZDUSSCGKSA-N 330.413 1.608 0 40 EDAB CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@@H]3CCCO3)ccc21 13580426 PJJMULIUXJDIFK-AWEZNQCLSA-N 338.429 1.308 0 40 EDAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16024676 CUZJTCOREIJEIC-WNHURAKMSA-N 345.374 1.365 0 40 EDAB CCCc1cc(C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cs1 17068782 GOQSIEOMOYVZKK-RNJOBUHISA-N 334.397 1.508 0 40 EDAB Cc1ccc2c(c1)cc(C(=O)N1CC(C(=O)N3CCOCC3)C1)n2C 19748668 BPXBIELNYVDJPO-UHFFFAOYSA-N 341.411 1.418 0 40 EDAB CN(C)CC(=O)N[C@H]1CCCN(C(=O)CCc2ccc(F)cc2)CC1 19749776 BUZAOXVWXWVMHK-KRWDZBQOSA-N 349.450 1.817 0 40 EDAB O=C(c1ccnnc1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 643586126 ZGCCACOZZQOGSH-LZLYRXPVSA-N 325.368 1.236 0 40 EDAB CCOc1nccn2c(CNC(=O)Cc3ccc(F)cc3F)nnc12 238822150 CXAYWQMWWKPMKB-UHFFFAOYSA-N 347.325 1.660 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CCn3nc4c(c3C2)CCC4)cc1 245026588 NBPXZQIRHCFUQK-UHFFFAOYSA-N 345.424 1.779 0 40 EDAB CCN(c1ncnc2[nH]cnc12)[C@H]1CCOC2(CCN(C)CC2)C1 2037844729 ZXHVZMHITLYYMN-ZDUSSCGKSA-N 330.436 1.823 0 40 EDAB Cc1cnccc1C(=O)N1CC[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037984460 BVJUKMUUODCRSY-GOSISDBHSA-N 331.416 1.490 0 40 EDAB O=C(c1cc[nH]n1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 949308448 YHSOCIHMOSUHGE-UHFFFAOYSA-N 347.444 1.373 0 40 EDAB O=C(Nc1ccccc1)[C@@H]1CN(C(=O)C2(F)CC2)Cc2ncnn2C1 1565545686 KTYUHNKDBAAZES-GFCCVEGCSA-N 343.362 1.377 0 40 EDAB CC(C)N1C[C@H]2[C@H]3C[C@@H](CN(C(=O)C4(F)CC4)C3)[C@H]2S1(=O)=O 1565550326 YWJGNJGHOOZGCA-ZDEQEGDKSA-N 330.425 1.005 0 40 EDAB COc1cccc(N2C[C@H](NC(=O)NC[C@@H]3CCCO3)CC2=O)c1 4373314 CLAIUQZNNDUMQZ-DOMZBBRYSA-N 333.388 1.279 0 40 EDAB Nc1c(-c2ccccn2)nsc1C(=O)NCCCN1CCOCC1 49007591 BQGOPCHIZIBAES-UHFFFAOYSA-N 347.444 1.239 0 40 EDAB CC(C)CCN1CC(=O)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]21 230041496 BFETVQZEVLGABO-HZPDHXFCSA-N 336.457 1.547 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)Nc1cccc(NS(C)(=O)=O)c1 40093917 KVSAYWQLSAQYMD-MRVPVSSYSA-N 340.323 1.964 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)Nc1cccc(NS(C)(=O)=O)c1 40093914 KVSAYWQLSAQYMD-QMMMGPOBSA-N 340.323 1.964 0 40 EDAB COc1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)cc1 100052687 KYTXCSLDFMQCSI-AJNGGQMLSA-N 338.363 1.537 0 40 EDAB C[C@H]1CCc2[nH]c3c(C(=O)NCCNS(C)(=O)=O)cccc3c2C1 30865881 SXSGIJPNXHXUKH-NSHDSACASA-N 349.456 1.572 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2cccc(F)c2)CC1 40498934 NEICPBJAVGZDMC-UHFFFAOYSA-N 329.331 1.112 0 40 EDAB Cn1c(CNC(c2ccccc2)c2ccccc2)cc(=O)n(C)c1=O 40479569 RRLYSFQZHASFEC-UHFFFAOYSA-N 335.407 1.963 0 40 EDAB O=C(NCCN1CCOCC1)c1cccc(OC[C@@H]2CCCO2)c1 40489337 RPQOFISAOPFZNH-KRWDZBQOSA-N 334.416 1.306 0 40 EDAB CCc1cc2c(=O)n(CC(=O)N[C@H](C(C)=O)C(C)C)cnc2s1 31757587 DGMSXTBFXXFODA-AWEZNQCLSA-N 335.429 1.750 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 358748 GZMIIXJVSILWAP-NWDGAFQWSA-N 326.374 1.164 0 40 EDAB O=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1ccccc1 21871071 UUBSXQJZILWSLL-UHFFFAOYSA-N 333.413 1.397 0 40 EDAB Cn1cccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 33005161 RWIILNNYUQTJFX-UHFFFAOYSA-N 327.384 1.712 0 40 EDAB Nc1ncc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cn1 12209009 QYIAJRKFKMUJBH-INIZCTEOSA-N 347.463 1.346 0 40 EDAB Cc1nc(-c2ccc(N(C)CCN3CCCC3=O)nc2)[nH]c(=O)c1C 78254658 KQLOYXRKCUBSDP-UHFFFAOYSA-N 341.415 1.507 0 40 EDAB CN(C(=O)c1ccco1)C(=S)N1CCN(c2ccccn2)CC1 1635194 SDNKPARPWRJSEK-UHFFFAOYSA-N 330.413 1.854 0 40 EDAB Nc1ccc(-c2ccc(N)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O 1672824 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40 EDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H]1C(N)=O 44647091 YGXDEANCMNNGAB-CVEARBPZSA-N 327.384 1.427 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCC2)c1 48289498 LXXHCJXAIKFBQY-LLVKDONJSA-N 338.429 1.615 0 40 EDAB CCN1CCC(NC(=O)CN(C)CCOc2ccc(OC)cc2)CC1 12746622 GWTIQEFXYNCVEG-UHFFFAOYSA-N 349.475 1.606 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 58245146 VJIMKWOKQSOAAK-CYBMUJFWSA-N 340.445 1.436 0 40 EDAB CCN1C[C@H](C(=O)NCc2cccnc2N2CCCCC2)CC1=O 58202255 DTEMJDKFPQHGBY-OAHLLOKOSA-N 330.432 1.557 0 40 EDAB CCC(CC)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58222685 MAJCCSWFPIHZOY-QGZVFWFLSA-N 335.379 1.898 0 40 EDAB O=C(NCCC(=O)N1CCOCC1)c1cnc(-c2ccccc2)nc1 58290130 YCSAFTTVVOOJGZ-UHFFFAOYSA-N 340.383 1.122 0 40 EDAB Cc1ccc(OCc2ccc(C(N)=O)cc2)c(S(=O)(=O)N(C)C)c1 44978349 DWQHKTARKZFWBX-UHFFFAOYSA-N 348.424 1.923 0 40 EDAB C/C=C/CN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(CC)c(=O)n1C 10386941 IOHMFBJORFVCAD-LXSSAFMLSA-N 330.392 1.250 0 40 EDAB CN(C)C(=O)N[C@@H]1CCOC2(CCN(Cc3cncn3C)CC2)C1 108526796 KFVXJWHABVBIFA-CQSZACIVSA-N 335.452 1.205 0 40 EDAB CCCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 58369197 HVTKGORPDZKWBM-MRXNPFEDSA-N 331.460 1.596 0 40 EDAB CCN(Cc1nc2c(c(=O)[nH]c(=O)n2C)n1C)c1cc(C)cc(C)c1 58343660 RDYIKVIDUVANMZ-UHFFFAOYSA-N 341.415 1.604 0 40 EDAB CCOCC(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 58392465 JNDSJDACCRUPNH-GFCCVEGCSA-N 330.178 1.816 0 40 EDAB O=c1[nH]c(CN2CCC3(CC2)OCCO3)nc2cc(Cl)ccc12 28077469 BEXXCLUYHSACQO-UHFFFAOYSA-N 335.791 1.915 0 40 EDAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NO[C@H]1CCCCO1 58419475 PUQRVAQNHLSVSD-KRWDZBQOSA-N 329.356 1.485 0 40 EDAB Cc1cnc(NC(=O)CCNS(=O)(=O)c2ccccc2)s1 10556090 DMCHZOBCLSKYGY-UHFFFAOYSA-N 325.415 1.759 0 40 EDAB CCS(=O)(=O)NC1CCN(C(=O)CCc2cccs2)CC1 36396657 FQTSOUZFHXUQBY-UHFFFAOYSA-N 330.475 1.611 0 40 EDAB NC(=O)CN1CCC(N[C@H](CCc2ccccc2)C(F)F)CC1 95466837 WRKAZFMESORKJY-OAHLLOKOSA-N 325.403 1.792 0 40 EDAB CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cn1 69675400 XVKJGXZEOFJXJZ-UHFFFAOYSA-N 330.362 1.425 0 40 EDAB COc1ccc(/C=C/C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 29207824 LXTWZSOCXBYTIZ-RNVIBTMRSA-N 338.429 1.249 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@H](c2ccccc2F)N1 11665682 HQAROHKMNRQBEB-BMIGLBTASA-N 331.347 1.455 0 40 EDAB CCCCc1noc(CN2C[C@@H](C(=O)NC)Oc3ccccc32)n1 29403017 ASGATNMSEPTALC-AWEZNQCLSA-N 330.388 1.926 0 40 EDAB Cn1c(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)nc2ccccc21 48362645 BLPJVBMVCYVQNS-MRXNPFEDSA-N 335.363 1.971 0 40 EDAB COCC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 48332843 DQWUAASSFWHUJV-UHFFFAOYSA-N 331.199 1.924 0 40 EDAB O=C1NC2=C(C(=O)N(Cc3ccco3)C2)[C@@H](c2ccc(O)cc2)N1 12821430 SQGUNVMVLQKVJR-OAHLLOKOSA-N 325.324 1.636 0 40 EDAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@@H](CC(C)C)C1=O 3487604 QOZQSPUOPNWUIZ-ZDUSSCGKSA-N 333.388 1.909 0 40 EDAB C[C@H](OC(=O)c1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3520752 BNFZKTZSFGFBIH-VIFPVBQESA-N 338.341 1.111 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCN(CCC(C)C)CC3)nc2n1 48799347 GBSCRTINKYDDAV-UHFFFAOYSA-N 330.436 1.545 0 40 EDAB CCCNC(=O)CN1CCC(NCc2cn(C)nc2C(C)C)CC1 48711760 KAOWPESERVKESP-UHFFFAOYSA-N 335.496 1.624 0 40 EDAB O=C(CSc1nc2ccccc2s1)N[C@H]1CCS(=O)(=O)C1 5034798 IDCZTSCSLNTRPA-VIFPVBQESA-N 342.467 1.692 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)NCc2nnc3n2CCCCC3)C1 65435196 BSQMMQFAKOYRRN-HUUCEWRRSA-N 348.495 1.782 0 40 EDAB Cc1nn(CCO)c(C)c1CN[C@@H]1CC(=O)N(c2ccccc2)C1 65488675 MHKKJUTWWYKZIR-OAHLLOKOSA-N 328.416 1.387 0 40 EDAB O=C(OCc1cc(=O)n2ccsc2n1)c1cn2ccccc2n1 4485153 PXCSSIQZXJQLEM-UHFFFAOYSA-N 326.337 1.761 0 40 EDAB CN(C)c1ccc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)cc1 14095152 BZGKNTYYYWDMBW-UHFFFAOYSA-N 330.432 1.245 0 40 EDAB CCn1c(Cn2c(-c3cnccn3)noc2=O)nc2cc(F)ccc21 65501232 WWFWVWLNVCZMTP-UHFFFAOYSA-N 340.318 1.850 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)CCC(=O)N2CCOCC2)c1 65563311 WLHXVEMCTAXOLX-UHFFFAOYSA-N 347.459 1.394 0 40 EDAB CC(C)[C@@H](C)NC(=O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 65554497 FHEOFEYSMULEKY-ZBFHGGJFSA-N 338.473 1.619 0 40 EDAB CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCCCO)c12 5303107 BDHQJZSWIWOOKG-GFCCVEGCSA-N 333.384 1.930 0 40 EDAB COc1ccccc1CCNC(=O)c1nc2nc(C)cc(C)n2n1 14188588 WGAPOKZOVKAUOY-UHFFFAOYSA-N 325.372 1.722 0 40 EDAB CC(C)CN1C(=O)C(=O)N(CC(=O)N2CCc3sccc3C2)C1=O 14138443 SQOWAZCSCRTUNX-UHFFFAOYSA-N 349.412 1.080 0 40 EDAB CC[C@@H](C)NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 4510685 VZFKPGLMEHMCCT-SNVBAGLBSA-N 328.390 1.096 0 40 EDAB COc1cccc(OC)c1C(=O)N[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1 4553413 SXSPMOIXMWGNIR-FZMZJTMJSA-N 340.401 1.285 0 40 EDAB Cc1nc(CN2CCCN(c3cncc(C(N)=O)n3)CC2)cs1 301543948 WFRCAHBKNZNVRD-UHFFFAOYSA-N 332.433 1.053 0 40 EDAB CCc1ccc(OCC(=O)N[C@@H](CC(N)=O)C2CCOCC2)cc1 72310494 TXQXACZQODBDEF-INIZCTEOSA-N 334.416 1.415 0 40 EDAB Cc1cc(C(=O)COC(=O)Cn2cnnn2)c(C)n1Cc1ccco1 7036393 YVJCCKMMOTZMGI-UHFFFAOYSA-N 343.343 1.159 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)n1cnnn1 7069181 WEVHKFSMRKITBN-AWEZNQCLSA-N 337.339 1.824 0 40 EDAB CCn1cnnc1S[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 7110623 LQWKFZNHQXBVLP-MRVPVSSYSA-N 332.389 1.587 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cnccn1 7699095 BNDSGUSGFXNXHC-UHFFFAOYSA-N 329.312 1.449 0 40 EDAB CN1CCO[C@H](C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)C1 81458468 HJWMENMPTGTHPQ-HNNXBMFYSA-N 340.383 1.603 0 40 EDAB C[C@H]1CN(CC2CCN(CCN3CCOC3=O)CC2)C[C@@H](C)O1 69016936 XGXQMMQUMVQWQY-GASCZTMLSA-N 325.453 1.260 0 40 EDAB Cc1nn(C)c(Cl)c1CN1CCN(Cc2nccn2C)[C@H](C)C1 70008011 HVKGXPAWLVNMOB-GFCCVEGCSA-N 336.871 1.822 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)n1 69349865 XNYCOCUFCAKULW-DZKIICNBSA-N 349.479 1.752 0 40 EDAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN(CC(=O)N(C)C)CC1 69348723 DMHZMRZUFXFNOK-HOTGVXAUSA-N 345.443 1.031 0 40 EDAB O=C(NCCCN1CCOCC1)C(=O)Nc1cccc(Cl)c1 19831210 XLCNRTFHQSAQQQ-UHFFFAOYSA-N 325.796 1.117 0 40 EDAB C[C@H]1CN(Cc2ccc(C(N)=O)cc2)CCN1Cc1nccn1C 69455718 UBDHKQMGCRFFEP-AWEZNQCLSA-N 327.432 1.225 0 40 EDAB COCc1ccccc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 69462136 AIFCJTZHNBGHML-QGZVFWFLSA-N 347.459 1.506 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccccc2O)cc1 17126428 IBUAZONKOHWSNV-UHFFFAOYSA-N 348.424 1.331 0 40 EDAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCCn2ccnc2)CC1=O 8424794 HGEQSWVSAWWINX-DOTOQJQBSA-N 340.427 1.999 0 40 EDAB COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cc1 69599850 WIVNQOXXCLMKSB-IRXDYDNUSA-N 338.473 1.436 0 40 EDAB CN(Cc1ccccc1)C(=O)CCNC(=O)c1nccn2ccnc12 96436284 PCNGGMSEBFXWSN-UHFFFAOYSA-N 337.383 1.508 0 40 EDAB Cn1cnc(CNC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)n1 91775455 OVRUMWDMYCGEIE-NSHDSACASA-N 335.795 1.831 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCOc1ccc(F)c(F)c1 69653881 KUIAZUYGNPDNMY-UHFFFAOYSA-N 345.371 1.672 0 40 EDAB CCOCCN1CCN(CC(=O)Nc2nnc(C)s2)C[C@H]1CC 69698153 XBVHEELJNVPJLU-CYBMUJFWSA-N 341.481 1.218 0 40 EDAB CS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 69628362 ZOJREPZSUAQFGP-KBPBESRZSA-N 337.397 1.837 0 40 EDAB CC(C)CC(=O)N[C@@H](C(=O)NC[C@H]1CN(C2CC2)CCO1)C(C)C 69740072 MNMMHKGGHAQSNY-DOTOQJQBSA-N 339.480 1.153 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)n1 69816861 VEXUDEJIHCBQBL-CQSZACIVSA-N 332.408 1.542 0 40 EDAB Cc1ccoc1-c1nnc(CN2CCO[C@@H](Cn3cncn3)C2)o1 69810166 RSTUKAHNHGJWJR-GFCCVEGCSA-N 330.348 1.131 0 40 EDAB CN(C)C[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)CCO1 69818759 ACVZCFAFTHBRJI-OAHLLOKOSA-N 339.867 1.609 0 40 EDAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCN(C[C@@H](C)O)CC1 69843129 SLFDRFIYTNDUCB-KGLIPLIRSA-N 339.867 1.343 0 40 EDAB CCN(CC)CCC[C@@H](C)NC(=O)CCNC(=O)c1ccncc1 71844413 ITIIRRWFQOZDOW-OAHLLOKOSA-N 334.464 1.828 0 40 EDAB COc1ccc(CCN2CCN(C(=O)c3cnns3)CC2)cc1 71836591 QNDIUPBHVHKODN-UHFFFAOYSA-N 332.429 1.547 0 40 EDAB O=C(Cn1cc(Br)ccc1=O)Nc1ccnc2ccnn12 71888839 YIWVXYWDYNWOPM-UHFFFAOYSA-N 348.160 1.292 0 40 EDAB CCOC(=O)c1c(I)cnn1CC(F)F 408715712 CSSMVPNDUKPWOJ-UHFFFAOYSA-N 330.072 1.930 0 40 EDAB Cc1nnc(CN(C)[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)o1 71870758 OBJZPUZQHZGVBU-ZDUSSCGKSA-N 332.408 1.735 0 40 EDAB CC(C)c1cc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)on1 95433521 SKBBYLWPPNMSLR-UHFFFAOYSA-N 328.372 1.791 0 40 EDAB C[C@@H](C(=O)N1CCCN(C(=O)c2ccc[nH]2)CC1)N1CCCCCC1 95404200 WSRYEGQQVNUKGF-INIZCTEOSA-N 346.475 1.954 0 40 EDAB O=c1[nH]c(NCc2ccnc(N3CCOCC3)c2)nc2ccccc12 97995016 YMWJBCZWFUDGQZ-UHFFFAOYSA-N 337.383 1.767 0 40 EDAB O=c1[nH]c(NCCS(=O)(=O)Cc2ccccc2)nc2ccccc12 97995097 WSEPUADQLPMECS-UHFFFAOYSA-N 343.408 1.950 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)c3c(F)cccc3Cl)C2=O)cn1 98010423 MUWXWMUIPXDYIJ-GFCCVEGCSA-N 336.754 1.748 0 40 EDAB COc1ccc2nc(C)nc(NC[C@](C)(O)c3cnn(C)c3)c2c1 95982719 XMDWHBSQQFLEHG-KRWDZBQOSA-N 327.388 2.000 0 40 EDAB C[C@@](COc1ccccc1)(NC(=O)Cc1ccc(O)cc1)C(=O)O 95989437 IWCXEWWHFKJHSC-SFHVURJKSA-N 329.352 1.973 0 40 EDAB Cc1noc(CCNC(=O)N2CCO[C@H](Cc3ccccc3)C2)n1 95988876 TYBFGHDFXIUYQL-OAHLLOKOSA-N 330.388 1.574 0 40 EDAB O=S(=O)(Cc1ccc(Cl)cc1)NCCCN1CCOCC1 23510872 VRURPLCNLLQBCA-UHFFFAOYSA-N 332.853 1.482 0 40 EDAB Fc1ccc(N2CCN(c3ccc4nnc(C(F)F)n4n3)CC2)nc1 89262840 YKMTUNUZFUONRD-UHFFFAOYSA-N 349.320 1.923 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C4OCCO4)C=C[C@H]3O2)cc1 409276846 XARPODGKCZQSBQ-UHQDVWGKSA-N 327.336 1.181 0 40 EDAB O=C1NC[C@@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)N1 89807148 HXIXFBASMIMYAN-LBPRGKRZSA-N 348.790 1.869 0 40 EDAB CN(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)S(C)(=O)=O 22606754 DTIPWQORRDNZMX-UHFFFAOYSA-N 328.287 1.674 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)cn1 547458868 LFUWFRSXYRZGGY-HNNXBMFYSA-N 345.424 1.447 0 40 EDAB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc2c1OCO2 409123714 DKVJQFUYOBVZEM-ONNFQVAWSA-N 337.309 1.545 0 40 EDAB Cc1ccnc(NC(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)c1 548350806 XBUMOSCLQITHSP-CYBMUJFWSA-N 337.387 2.151 0 40 EDAB COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1Cl 409042699 OFKUVKVPUVNZOB-RUDMXATFSA-N 345.138 1.726 0 40 EDAB O=C(N[C@@H](CO)Cc1ccncc1)c1ncsc1Br 517585740 WEZJCCACEKGKSL-SECBINFHSA-N 342.218 1.634 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@]2(N)C(=O)O)cc1 218051323 HSHPLOPCHMUZAE-ZOBUZTSGSA-N 331.393 1.717 0 40 EDAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccs1 71980293 MHAORHQQOKWPRD-GFCCVEGCSA-N 338.429 1.876 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)SCc2nc(N)nc(N(C)C)n2)on1 78555639 PNPQWYLHLZPOEJ-MRVPVSSYSA-N 337.409 1.077 0 40 EDAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cnn(C)c1 79189325 OZOYSSXBZCUWEY-CJNGLKHVSA-N 340.335 1.983 0 40 EDAB biogenic CCCS(=O)(=O)N1CCCN(C(=O)Cc2cccs2)CC1 75018472 KSTVNFVDENKWDL-UHFFFAOYSA-N 330.475 1.565 0 40 EDAB O=C(Nc1nc2ccccc2s1)C1CN(C(=O)c2cnccn2)C1 70808874 DGNXAAHSKCJEGR-UHFFFAOYSA-N 339.380 1.797 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ncn2)[C@H](C(=O)O)C1 72203634 LRBULWJVBGVUIL-VIFPVBQESA-N 342.783 1.640 0 40 EDAB Cc1cc(NC(=O)NCC(=O)N(C)C)ccc1N1CCSCC1 79334943 NQEPVNUICLKMTH-UHFFFAOYSA-N 336.461 1.758 0 40 EDAB CC(C)OC(=O)CC[C@H](C)NC(=O)N[C@@H]1CCC(=O)NC12CCC2 225784392 DPULIWAADZRKNG-QWHCGFSZSA-N 339.436 1.607 0 40 EDAB O=C(Cn1cc(C(=O)O)nn1)NCC1(c2ccccc2)CCCCC1 569793920 KXFPZUARZNUDCQ-UHFFFAOYSA-N 342.399 1.995 0 40 EDAB COc1ccc(NC(=O)[C@@]2(C)CCCN(C)S2(=O)=O)c(OC)c1 225952928 BYWNRDUEVPHMKR-OAHLLOKOSA-N 342.417 1.456 0 40 EDAB COC(=O)CCNC(=O)c1cc(=O)c(OCc2ccccc2)co1 40286725 QGSSRIJXEQMVFG-UHFFFAOYSA-N 331.324 1.512 0 40 EDAB COc1cc(C(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)cc2c1OCCO2 570404366 NXOCZCXQSVJFQM-AAVRWANBSA-N 329.352 1.492 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2nnn(-c3ccccc3)n2)C1 75163270 FUAWFDYNQRAUQT-GFCCVEGCSA-N 329.360 1.078 0 40 EDAB CCOc1cccc(S(=O)(=O)NC[C@@H]2CCn3ccnc3C2)c1 225711646 VPECKAVQPPIGIK-CYBMUJFWSA-N 335.429 1.823 0 40 EDAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1C[C@@H](O)[C@@H](CO)C1 85469357 FKNCOHSNOCYUGQ-AXAPSJFSSA-N 333.363 1.088 0 40 EDAB CS(=O)(=O)N[C@H](CC(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 225945249 SGQJYAOBSOMZEZ-ZIAGYGMSSA-N 344.408 1.101 0 40 EDAB O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(C4CCCC4)C3)N2C1 514288974 HOIHFJAYFSAOAS-VQTJNVASSA-N 341.499 1.934 0 40 EDAB biogenic,in-vitro CS(=O)(=O)C[C@H]1CCCCN1C(=O)C1CN(C2CCCCC2)C1 333785624 WITJQMSOQYSWBH-MRXNPFEDSA-N 342.505 1.677 0 40 EDAB O=C(NCC1CC1)[C@H]1CN(C(=O)c2cccnc2)CC12CCOCC2 96052151 LYIJQPYPBSARCB-MRXNPFEDSA-N 343.427 1.477 0 40 EDAB Cn1cnc(C(=O)N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 96072495 SNBMBQTYEFKAQG-RHSMWYFYSA-N 328.372 1.268 0 40 EDAB CN(C)[C@@H]1CCN(C(=O)Cc2ccsc2)[C@H]1Cc1cnn(C)c1 96200920 OMOGLRCUHCKTQF-CVEARBPZSA-N 332.473 1.798 0 40 EDAB Cn1nccc1C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 96449574 QIXZDIXFWZZIFH-UHFFFAOYSA-N 346.435 1.449 0 40 EDAB Cc1cc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)n(C)n1 91838898 CSYJKJIYOMKUCT-LLVKDONJSA-N 335.433 1.968 0 40 EDAB Cc1n[nH]c(C[C@H]2OC[C@H]3CN(C(=O)c4ccncc4)CC[C@H]32)n1 96215418 AITLTVBXJYOBMM-RBSFLKMASA-N 327.388 1.228 0 40 EDAB CC(C)OC(=O)[C@H]1[C@@H](c2ccc(O)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101361 NAIPXCJKLWSVPB-JCKWVBRZSA-N 346.383 1.828 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 585121817 BBKGWYIEWIJPKA-MXWKQRLJSA-N 327.368 1.858 0 40 EDAB CC(C)[C@H](SCc1ccccc1)C(=O)Nn1ccc(O)nc1=O 585128458 BPYPVUWRYJMOGL-AWEZNQCLSA-N 333.413 1.977 0 40 EDAB Cc1c(NC(=O)COC[C@H]2CCCO2)nnn1-c1ccc(F)cc1 585125996 KREKXSHFICFTDO-CQSZACIVSA-N 334.351 1.849 0 40 EDAB CC(C)[C@@H](NC1CCOCC1)C(=O)N1CCCN(C(C)C)CC1 96436335 GMDATKUAWBSSLF-QGZVFWFLSA-N 325.497 1.722 0 40 EDAB COc1ncccc1CN1C[C@@H](NC(=O)CC2CC2)[C@H]2COC[C@H]21 96185125 JBIFFEDJTRHPIO-BZUAXINKSA-N 331.416 1.206 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)NC(=O)C[C@H]2c1cccnc1 96199701 XDPFJIMJZILVTB-HNNXBMFYSA-N 325.416 1.453 0 40 EDAB CCN(CC)[C@@H]1CN(C(=O)Cc2ccccn2)C[C@@H]2CCCO[C@@H]21 96040587 USNHCSKGUBMVKF-WDYCEAGBSA-N 331.460 1.972 0 40 EDAB CC(C)N1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3nccn3C)CC[C@@H]21 96185636 DFAAWCBEHLSNLN-IKGGRYGDSA-N 343.479 1.385 0 40 EDAB O=C1COC2(CCN(Cc3ccco3)CC2)CN1CCn1cccn1 96201410 KYXNHFAPIOIOPO-UHFFFAOYSA-N 344.415 1.370 0 40 EDAB Cn1ncc2c(N)nc(N3C[C@@H](O)C[C@H]3c3ccc(F)cc3)nc21 581831714 WMCLYJINGFCSCY-AAEUAGOBSA-N 328.351 1.397 0 40 EDAB Cn1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccccc4)[C@H]3C2)cn1 248166167 ZVTDLKGYCSLKHZ-RCCFBDPRSA-N 340.427 1.297 0 40 EDAB COCC(=O)NCC[C@H]1CCOC12CN(Cc1ccccc1C)C2 248130373 ALBIISJZKFENBM-KRWDZBQOSA-N 332.444 1.739 0 40 EDAB CCOc1ccc(CC(=O)N2CCN(C[C@H](O)C3CC3)CC2)cc1 85436657 BRDSPHXHRMYHGE-SFHVURJKSA-N 332.444 1.543 0 40 EDAB COCCC(=O)N1CC[C@H](c2ncncc2-c2ccnc(N)c2)C1 257224873 FDUJIUVVEBAYQZ-ZDUSSCGKSA-N 327.388 1.473 0 40 EDAB O=C(NCc1ccnc([C@H]2CCCOC2)n1)c1cnc(C2CC2)nc1 257244860 INBXSKFEVQSDOB-ZDUSSCGKSA-N 339.399 1.968 0 40 EDAB COC(=O)c1ncsc1S(=O)(=O)NC(=O)[C@@H]1CC=CC[C@H]1C 252491675 LQIVNMUGCPHTGX-RKDXNWHRSA-N 344.414 1.337 0 40 EDAB CC1(C)C(CNC(=O)NCC2(OCCO)CCOCC2)C1(C)C 252496924 PVDLSLLLRTYINR-UHFFFAOYSA-N 328.453 1.526 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@H](c2ccc(O)cc2)c2c(O)n[nH]c2C[C@]1(C)O 252586024 NAIPXCJKLWSVPB-XUWXXGDYSA-N 346.383 1.828 0 40 EDAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc23)n1 257308765 TYAJALASACOSNL-AWEZNQCLSA-N 337.383 1.942 0 40 EDAB CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc(O)nn3)cc21 252499059 RUSGLODNUPPNMC-UHFFFAOYSA-N 348.384 1.282 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(N(C)C)nc(C)n1 257332834 XYWYBMKUIZQPML-AWEZNQCLSA-N 341.481 1.575 0 40 EDAB CCc1noc(C)c1C(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257327396 XBDXAASJSNKGBC-CHWSQXEVSA-N 343.374 1.462 0 40 EDAB CCc1cc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)n(C)n1 636027810 DYAVVRXTGGKCLN-UHFFFAOYSA-N 340.430 1.162 0 40 EDAB COCCn1cc(CN[C@@H]2CS[C@@H](C(C)(C)C)C2)c(O)nc1=O 1615585872 NICQLSLNPSTLRP-QWHCGFSZSA-N 341.477 1.605 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@@H](CO)C[C@H]3CO)cn2)n1 1615586521 AWWXIAKMRYQVNF-ZFWWWQNUSA-N 345.403 1.091 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)N1CCC2(CCOCC2)C1 1615615441 QMGBWSMDFKFPSC-IBGZPJMESA-N 330.428 1.825 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)NC(C)(C)CCS(C)(=O)=O)c1 390833004 ALIYBWYENLAJJT-UHFFFAOYSA-N 347.458 1.381 0 40 EDAB CC(C)OC(=O)C[C@@H](NC(=O)c1cc(=O)n(C)o1)c1ccccc1 390834564 DIKKGGLVMLOHIE-CYBMUJFWSA-N 332.356 1.791 0 40 EDAB CC(C)[C@H](Cn1ccnn1)NS(=O)(=O)c1ccccc1Cl 575605849 ANWIAZZRHLWXSO-LBPRGKRZSA-N 328.825 1.935 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@H](CNC(=O)c3ccncc3)CO2)C1 575405626 SSUCVEZXQKUJBV-FMKPAKJESA-N 343.427 1.475 0 40 EDAB O=C(c1cn[nH]c1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 575415072 YYWMEHHCWRYSHN-AWEZNQCLSA-N 337.376 1.551 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@@H](c1cccs1)n1cccn1 575606379 VPNHDQBJIDWNSN-LBPRGKRZSA-N 331.401 1.706 0 40 EDAB CC(C)CCNC[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O 585291631 SRNZLZJIMODBLD-MJGOQNOKSA-N 334.460 1.189 0 40 EDAB Cn1ccc(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)n1 585269536 YEKWTUAMBSJKNX-QGZVFWFLSA-N 335.379 1.202 0 40 EDAB O=C(NC1CCC1)[C@@H]1C[C@@]12CCN(C(=O)Cc1ccc(F)cn1)C2 585101518 LIVTUTYNAJTKOD-MAUKXSAKSA-N 331.391 1.671 0 40 EDAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CC[C@@H]2[C@H](CCCC(=O)N2C)C1 585289229 GFXUHJRGJYWPLZ-PJZFAXFVSA-N 344.459 1.910 0 40 EDAB CO[C@@H]1CN(C(=O)Cn2cccn2)C[C@]12C[C@H](c1ccccc1)CO2 585288336 VXWDAMYAQMCSKH-YQVWRLOYSA-N 341.411 1.683 0 40 EDAB CO[C@](C)(C(=O)O)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 1548451777 GRGUEQUAGMBAMG-INIZCTEOSA-N 340.807 1.787 0 40 EDAB CC(C)[C@@H]1NC(=O)N(CCOc2ccc3c(c2)CCC(=O)N3)C1=O 69742329 AAXWHPKKKMLBSV-HNNXBMFYSA-N 331.372 1.527 0 40 EDAB Cc1cccc(N2C[C@@H](C(=O)N3CCNC(=O)CC3)CC2=O)c1C 71839567 XFQSIAHBKYDFKM-AWEZNQCLSA-N 329.400 1.005 0 40 EDAB CCN(CC)c1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cn1 72272137 CHXCXWFKWGKFHO-OAHLLOKOSA-N 328.420 1.997 0 40 EDAB CS(=O)(=O)CCN1CCN(Cc2ccc(F)cc2Cl)CC1 48059678 XSYDZCKCRLPIGX-UHFFFAOYSA-N 334.844 1.641 0 40 EDAB CC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)CC1 58184641 DIUACISKXAEOMW-GOSISDBHSA-N 347.390 1.851 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCOC2)cc1 56130253 PGZUTBJKKPZSSL-LBPRGKRZSA-N 327.402 1.568 0 40 EDAB COc1ccnc(N2CCC(S(=O)(=O)c3ccccc3)CC2)n1 1776008854 PGNQVOMJCBNDNE-UHFFFAOYSA-N 333.413 1.928 0 40 EDAB COc1ccc(C2(CNC(=O)NCc3nnc4n3CCC4)CC2)cc1 83943549 OBGMGDNATHYIIK-UHFFFAOYSA-N 341.415 1.764 0 40 EDAB O=C(CNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)NCCO 84335420 WZTAHQFTGXWYQV-NWDGAFQWSA-N 331.199 1.322 0 40 EDAB CS(=O)(=O)c1ccc(NC2CCC(O)CC2)c(S(C)(=O)=O)c1 40477502 AWQVGUZKXIVCRF-UHFFFAOYSA-N 347.458 1.209 0 40 EDAB CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)c1cnn2cccnc12 12141896 GBYJCTDTHUKLCL-OAHLLOKOSA-N 349.398 1.929 0 40 EDAB CCN(CC)C(=O)Cn1nc2c3c(C)c(C)sc3nc(C)n2c1=O 12144873 FMMSBFWGLQYZAI-UHFFFAOYSA-N 347.444 1.899 0 40 EDAB Cc1nc(C2CCN(C(=O)Cc3ccccc3)CC2)ncc1C(N)=O 19766630 QMBJURMJAPDGQE-UHFFFAOYSA-N 338.411 1.833 0 40 EDAB CCCN(CCC)c1nc(Cl)nc(NCCN2CCOCC2)n1 19848462 XIFOMDGKXWMWAT-UHFFFAOYSA-N 342.875 1.896 0 40 EDAB COc1ccccc1-c1nnc(SCC(=O)Nc2nc[nH]n2)o1 19849420 FAUTZADDLWYICR-UHFFFAOYSA-N 332.345 1.594 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220919204 CPAVZXHPIDHTHI-GFCCVEGCSA-N 348.428 1.715 0 40 EDAB Cn1cnc(CN2CCC3(CC2)CN(S(C)(=O)=O)C(C)(C)C3)c1 643914308 OGWBIEZWTUQYJZ-UHFFFAOYSA-N 340.493 1.446 0 40 EDAB CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2)N2NC(CCCO)=NC2=N1 13121896 UEYYGIJFLNZPOT-CQSZACIVSA-N 347.806 1.501 0 40 EDAB O=S(=O)(Cc1ccccc1)NCC1CCN([C@H]2CCOC2)CC1 575609015 XJYLMHZNHYHARE-KRWDZBQOSA-N 338.473 1.607 0 40 EDAB O=S(=O)(N[C@@H]1CCN(C2CCOCC2)C1)c1ccccc1Cl 1888853845 HHGCLXBCAXPFHR-GFCCVEGCSA-N 344.864 1.872 0 40 EDAB COc1cccc(-c2noc(CN3CCCN(C(C)=O)CC3)n2)c1 16443954 GTXCUOJHPXXQRZ-UHFFFAOYSA-N 330.388 1.799 0 40 EDAB CCOC(=O)[C@H]1CSCCN1C(=O)c1cc2ccccc2[nH]c1=O 40497343 GTSUEXHIIROTHS-CQSZACIVSA-N 346.408 1.649 0 40 EDAB CC(C)NC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)CCc2cncnc2)O1 1565547446 PPSUAUJJYTXACL-OAGGEKHMSA-N 346.431 1.082 0 40 EDAB Cc1c(C(=O)N2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)nc2ccccn12 1565550551 CSEWSFZIYBXCLL-CVEARBPZSA-N 340.427 1.578 0 40 EDAB CC(C)NC(=O)[C@@H]1CN(C(=O)[C@]2(C)CC=CCC2)Cc2ncnn2C1 1565550195 UABOSRIDZSSPCE-RDTXWAMCSA-N 345.447 1.508 0 40 EDAB CN1C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2C1=O 4194648 ICQWFHPEYRDBML-UHFFFAOYSA-N 338.319 1.936 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(-c2ccco2)o1 4107283 VNDZJUJZHNVGLZ-UHFFFAOYSA-N 338.279 1.564 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H]2COC3(CCCC3)O2)cc1 10220560 JVEGTYXMSOHRSE-ZDUSSCGKSA-N 327.402 1.659 0 40 EDAB O=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1CN(C1CCCC1)CN2 19938907 VWQCZIDSYGJBLE-UHFFFAOYSA-N 330.363 1.793 0 40 EDAB CC(C)NC(=O)CN1CCN(C(=O)NCCc2ccccc2)CC1 30990049 XMGYWJNKGFJDOE-UHFFFAOYSA-N 332.448 1.081 0 40 EDAB COc1ccc(C(C)=O)cc1CS(=O)(=O)[C@H](C)C(=O)NC1CC1 40528628 XNFZBNASOFYOME-LLVKDONJSA-N 339.413 1.480 0 40 EDAB O=C1CCCN1c1nc(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)cs1 40553907 JMNZMKXEZPOBIA-ZIAGYGMSSA-N 349.456 1.982 0 40 EDAB COCCNC(=O)N1CCC(NC(=O)c2scnc2C)CC1 51674666 RLIGZDIKHQBDLA-UHFFFAOYSA-N 326.422 1.002 0 40 EDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1 20716697 ITEPKBANCYTOQY-ZUZCIYMTSA-N 346.362 1.767 0 40 EDAB O=C(NCCCN1CCCC1=O)c1cc(Cl)ccc1-n1cnnn1 32645596 FZJRPCAYNWMFKY-UHFFFAOYSA-N 348.794 1.058 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCCO)cc2)C1 21713103 OYDUMWDGLHUOLF-CHWSQXEVSA-N 341.429 1.502 0 40 EDAB C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 32902516 DQFKEAZHLKHXCF-STQMWFEESA-N 343.431 1.995 0 40 EDAB CC(C)(C)C(=O)N[C@H](n1ccc(=O)[nH]c1=O)C(Cl)(Cl)Cl 238074 DIXGIZRJFYZBRC-SSDOTTSWSA-N 342.610 1.568 0 40 EDAB COCCn1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)cn1 47154528 PNKWWHZKEMEGJQ-NSHDSACASA-N 343.387 1.907 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)C[C@H]1N1CCOCC1 76056955 BVNMLPXPCJUPMJ-GOEBONIOSA-N 344.415 1.317 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)CN(C)S(C)(=O)=O)C12CCCCC2 76042199 SQJSHRHGDQHHHT-QWHCGFSZSA-N 332.466 1.122 0 40 EDAB O=c1cc(CN2CCC[C@H](c3nnc4ccccn34)C2)[nH]c2ccnn12 76394964 VSQVKTNVKBFLCW-ZDUSSCGKSA-N 349.398 1.445 0 40 EDAB CN(CC(=O)N(C)Cc1cccs1)Cc1nnc2ccccn12 79442402 QOBTWZJJTLMEHY-UHFFFAOYSA-N 329.429 1.881 0 40 EDAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCO[C@@H]2CCC[C@H]21 53372905 XMQCETDLRLTBJN-HUUCEWRRSA-N 343.387 1.032 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C(=O)N3c4ccccc4[C@H]4OCC[C@@H]4[C@H]3[C@]23C=C[C@H]1O3 4044187 ADBRMMHYTJFVFR-BKDQQLTDSA-N 339.347 1.517 0 40 EDAB Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)cc2)n(C)c1=O 4249231 DGUXGRPTASYBFA-UHFFFAOYSA-N 345.790 1.629 0 40 EDAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(N)ncnc32)cc1 4822693 RVCBAMIEYYMANI-UHFFFAOYSA-N 340.343 1.224 0 40 EDAB CCN1CCN(C(=O)Nc2c[nH]c3cc(OC)ccc3c2=O)CC1 4908211 MXENTJIZGGDRKX-UHFFFAOYSA-N 330.388 1.706 0 40 EDAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccs1 42268412 HVPIULHOEOTIMF-UHFFFAOYSA-N 325.367 1.638 0 40 EDAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)NCc1ccco1 6823565 GERHLWXDEOLZQC-UHFFFAOYSA-N 339.398 1.444 0 40 EDAB COc1ccccc1C(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 8282948 WZZRWGQRMQOSIR-UHFFFAOYSA-N 340.339 1.789 0 40 EDAB O=C(Cc1cccc(F)c1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 47635203 UDYFCWQUQLIBME-WBVHZDCISA-N 336.407 1.222 0 40 EDAB Cn1cnnc1CNC(=O)Nc1cccc(Cl)c1-n1cccn1 47630625 MRKVQESFJMQMTQ-UHFFFAOYSA-N 331.767 1.976 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(-n2cncn2)nc1 12528218 WOKNIGRKDVYDFG-UHFFFAOYSA-N 347.338 1.011 0 40 EDAB CN(C)c1ncccc1CNC(=O)C[C@@H](NC(N)=O)c1ccccc1 43051237 CFDZSTPGDSYWPJ-OAHLLOKOSA-N 341.415 1.564 0 40 EDAB COc1ccc([C@@H](CNC(=O)Nc2cn[nH]c2)N2CCOCC2)cc1 43139245 RQDCEHBJOBANOA-MRXNPFEDSA-N 345.403 1.613 0 40 EDAB CCCn1nc(C(=O)NC[C@H](c2ccccc2)N(C)C)ccc1=O 25419979 ORBKSOFLJNXDQF-MRXNPFEDSA-N 328.416 1.686 0 40 EDAB O=S(=O)(c1ccc(NC[C@@H]2CCCO2)nc1)N1CCCCC1 25784395 SNTUGHYZBVCXQM-ZDUSSCGKSA-N 325.434 1.847 0 40 EDAB CC[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCN1C[C@H](C)O 107351218 HNDCOFDKMYNHPH-UONOGXRCSA-N 330.432 1.200 0 40 EDAB CCN1CCC(CNC(=O)CN2C(=O)CSc3ccccc32)CC1 57000431 BYFADPNWCRMWNL-UHFFFAOYSA-N 347.484 1.973 0 40 EDAB Cc1c(CC(=O)N[C@H](C(N)=O)c2ccccc2)nnn1-c1ccccc1 57153305 YRIFRURFLUQINL-SFHVURJKSA-N 349.394 1.461 0 40 EDAB O=C(NS(=O)(=O)c1cccc2nsnc12)[C@H]1C[C@H]2CC[C@H]1C2 108063844 BQAVSROJOFYUMO-GUBZILKMSA-N 337.426 1.932 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 57495319 IJXNPHRIVNTAAR-OKDIFOJXSA-N 333.432 1.792 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)o1 48071450 DLIMZKRFTOTWPN-RYUDHWBXSA-N 326.418 1.840 0 40 EDAB CN(CC(=O)NCc1ccnc(-n2cccn2)c1)C(=O)OC(C)(C)C 57832591 GFICAPQWHRAEQI-UHFFFAOYSA-N 345.403 1.750 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccn1 27336886 VHXTYTOSJKORFS-CQSZACIVSA-N 341.415 1.874 0 40 EDAB O=C(Cc1ccccc1F)NC[C@@H]1CCN(CCN2CCOCC2)C1 58007664 ATLVBTOFCUGXNI-INIZCTEOSA-N 349.450 1.139 0 40 EDAB O=C([C@@H]1C[C@@H]2CC[C@@H]1O2)N1CCN(Cc2nc3ccccc3[nH]2)CC1 102678397 NGPWISBIANQUGS-VBQJREDUSA-N 340.427 1.775 0 40 EDAB CN(CCCNC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccccc1 44893821 SWQFSOHPMFQYIY-OAHLLOKOSA-N 339.461 1.053 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 10259695 FERVIKKLMGHUSX-UHFFFAOYSA-N 331.825 1.886 0 40 EDAB COc1ccc(C(N)=O)c(OCC(=O)c2ccc3c(c2)OCCO3)c1 48265367 XUUCNWZXUSYQKW-UHFFFAOYSA-N 343.335 1.827 0 40 EDAB Cc1cc(NC(=O)CCN2C(=O)CN(c3ccccc3)C2=O)no1 58227128 HGMSKCUZGHOGGN-UHFFFAOYSA-N 328.328 1.780 0 40 EDAB COCCN1CCCN(C(=O)c2cncn2-c2ccccc2)CC1 48262962 VLJDBKILTXCDGJ-UHFFFAOYSA-N 328.416 1.667 0 40 EDAB COc1cc(OC)c2c(C)c(CC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c1 2125705 FWERZUZDTLFKTF-VIFPVBQESA-N 349.339 1.250 0 40 EDAB biogenic C[C@@H](CN1CCOCC1)NC(=O)c1cccc(Nc2ncccn2)c1 44943351 QSABGZUVEYKGSG-AWEZNQCLSA-N 341.415 1.671 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNCc1cccnc1N(C)C 58392540 YVFCSEWTDCEDJN-UHFFFAOYSA-N 344.463 1.316 0 40 EDAB C[C@@H](CNC(=O)Cn1ncc(=O)c2ccccc21)CN1CCCC1 58377629 AYJRMTVKUJRRPJ-AWEZNQCLSA-N 328.416 1.245 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](C(C)C)N1CCN(C)CC1 58404272 JBGNNCTTYUVXBD-KRWDZBQOSA-N 336.528 1.156 0 40 EDAB CCN(C(=O)[C@@H](C)Sc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 12751176 MFRDSOAJLFTZJG-GHMZBOCLSA-N 348.515 1.968 0 40 EDAB C[C@@H](CNC(=O)NCc1ccccc1Cn1cncn1)N(C)C1CC1 95351213 DQSFMTNBHZKSLV-AWEZNQCLSA-N 342.447 1.608 0 40 EDAB COC(=O)[C@H](CCSC)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 100757062 UMOGQTFWNXIEOH-DCAQKATOSA-N 331.821 1.799 0 40 EDAB O=C(NCCc1ccc(-n2cccn2)cc1)N[C@@H]1CCCCNC1=O 45401232 IGEOMUYEKGFRRF-MRXNPFEDSA-N 341.415 1.383 0 40 EDAB Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H](C(N)=O)C2)CC1 45756848 GXMDZGGSNNBFMC-MRXNPFEDSA-N 344.459 1.476 0 40 EDAB Cc1cc(C)c2cc(C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)[nH]c2c1 29195793 OOBBOWAMZZQROH-CYBMUJFWSA-N 349.456 1.939 0 40 EDAB CN1N=C(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CCC1=O 29796943 LVQUJAJVUBYLBO-CQSZACIVSA-N 343.383 1.730 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](C(C)C)N1CCOCC1 13013080 JNQSUQCPEOISGN-HNNXBMFYSA-N 344.452 1.769 0 40 EDAB CC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 13010309 BZOIJKPGYRIHOH-CYBMUJFWSA-N 340.445 1.574 0 40 EDAB CCOC(=O)N1CCN(CC(=O)NCCOc2cccc(C)c2)CC1 38442469 NMQYNDRLJWVFJF-UHFFFAOYSA-N 349.431 1.264 0 40 EDAB Cc1c(CCC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2cc(O)ccc12 4061125 CWMLRUNGSXECOH-INIZCTEOSA-N 347.367 1.965 0 40 EDAB biogenic CC(C)c1nnc(NC(=O)[C@@H](C)n2nnc3ccccc3c2=O)s1 71335179 RDECCWTYSYXNSD-SECBINFHSA-N 344.400 1.966 0 40 EDAB Cc1cc(C)n(Cc2cccc(CNC(=O)CN3CCOCC3)c2)n1 97048942 FCXNGFOESFZIQX-UHFFFAOYSA-N 342.443 1.497 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)NCCN2CCc3ccccc32)CC1 65403222 TUXSKSLPMAJFRF-UHFFFAOYSA-N 344.459 1.559 0 40 EDAB CCC[C@@H](C)N1C[C@@H](C(=O)NCCNC(=O)c2ccoc2)CC1=O 65412891 DKRBXLUOQYGXBU-OCCSQVGLSA-N 335.404 1.163 0 40 EDAB COc1ccc(NCC(=O)NCC(F)(F)F)cc1-n1nnnc1C 65595591 ZESAZHJNCVLULB-UHFFFAOYSA-N 344.297 1.070 0 40 EDAB Cc1ccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c(C)c1 65585915 SQGLFBMAXAZNFQ-CYBMUJFWSA-N 325.434 1.849 0 40 EDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1nnc(-c2ccccn2)s1 65547929 RHXLFOPJAQAZGT-LLVKDONJSA-N 346.416 1.588 0 40 EDAB Cc1cc(N(C)C)nc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1 72276302 IYMHVCBHQKSNDR-AWEZNQCLSA-N 327.436 1.746 0 40 EDAB Cc1cnc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cn1 14183984 KACASGSPHKXFNO-CYBMUJFWSA-N 340.383 1.946 0 40 EDAB COC(=O)c1sc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)nc1C 4646635 XBBHGEXXTLHTJJ-XGEHTFHBSA-N 340.357 1.055 0 40 EDAB COc1nc(C)ccc1CNC(=O)C(=O)Nc1cccc(C(C)=O)c1 66221592 CHRVPHNVDBJMIQ-UHFFFAOYSA-N 341.367 1.856 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc4[nH]ncc4c3)cc2[nH]1 5827290 IAVHCGCRZOEOSO-UHFFFAOYSA-N 329.341 1.533 0 40 EDAB COc1ccc(Br)cc1Cn1nc(C(N)=O)ccc1=O 72271730 PTPCHYMBZYCHRY-UHFFFAOYSA-N 338.161 1.162 0 40 EDAB CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2cnn(C)c2)C1 96420699 OCMGGBUTARMADO-CQSZACIVSA-N 335.452 1.504 0 40 EDAB C[C@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc2c(c1)CCC2 9515790 LVXPRLYXIFQXKT-JTQLQIEISA-N 326.356 1.732 0 40 EDAB CCN(CC)CCNCC(=O)N1CCN(c2ccccc2OC)CC1 22584653 KADAAGHUBMHFCK-UHFFFAOYSA-N 348.491 1.275 0 40 EDAB C[C@@H](C(=O)Nc1nccs1)N1CCC(CN2CCOCC2)CC1 69029136 RIDKVMAYVBOKAJ-ZDUSSCGKSA-N 338.477 1.514 0 40 EDAB Cc1ccc(F)cc1NC(=O)N(C)C[C@@H](O)CN1CCN(C)CC1 71922274 BPUKLYQGDGZFLS-OAHLLOKOSA-N 338.427 1.206 0 40 EDAB COCC(=O)N1CCC(N[C@H](C(=O)NC2CC2)c2ccccc2)CC1 71900726 WWAXUAMRTPUCRQ-SFHVURJKSA-N 345.443 1.233 0 40 EDAB CC(C)(C)[S@@](=O)CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 71900269 PDJRJRMQLMQAMQ-MCMMXHMISA-N 328.478 1.298 0 40 EDAB COCCOC(=O)CC[S@](=O)c1ccc2c(c1)OCCCO2 71921831 MJMAQOFIDKSFNS-JOCHJYFZSA-N 328.386 1.535 0 40 EDAB Cc1cc(N(C)[C@@H]2CCN(c3ccccc3F)C2=O)n2ncnc2n1 71902806 ZOQCPPGGHMSNHU-CQSZACIVSA-N 340.362 1.814 0 40 EDAB COc1ccccc1C(=O)NCCC(=O)Nc1ccc(C(N)=O)cc1 8395105 CCNXISGRJOZBAK-UHFFFAOYSA-N 341.367 1.553 0 40 EDAB CC(C)(NC(=O)C[C@H]1NC(=O)NC1=O)c1cccc(C(F)(F)F)c1 69519046 RFSOOKSAMVBRFL-SNVBAGLBSA-N 343.305 1.655 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccc(F)cc2c(=O)[nH]1 69570766 HIOJTTUGLMQSEX-ZETCQYMHSA-N 338.364 1.389 0 40 EDAB CN1N=C(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CCC1=O 69519112 HPBVSCXTOSZBNT-KRWDZBQOSA-N 343.383 1.633 0 40 EDAB Cc1cc(C)n([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)n1 69561484 GWNIABDFKFMVNT-IRXDYDNUSA-N 344.459 1.922 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)CNC(=O)CC(C)(C)C)nc1 69697539 QKDCBHXKOUSNKX-UHFFFAOYSA-N 334.420 1.339 0 40 EDAB CC(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOc2ccccc2)C1 69702328 GZIMWRPIDJEBKO-MRXNPFEDSA-N 340.445 1.338 0 40 EDAB Cc1cn2nc(NC[C@H](Cc3ccc(F)cc3)C(N)=O)sc2n1 69738664 LJJTUSVOPILWMV-NSHDSACASA-N 333.392 1.994 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cccn1)N1CCO[C@H]2CCCC[C@@H]21 69893104 UYYYBCIQZZVRSA-IKGGRYGDSA-N 332.448 1.518 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)CCCCN2CCCC2)CC1 69840372 QNAZBEDFEPKPJI-KRWDZBQOSA-N 339.524 1.804 0 40 EDAB Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cn1 69843876 IGUHSHBVZDDLDM-UHFFFAOYSA-N 349.412 1.658 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2CC(=O)NCc2ccccn2)n1 69870059 KYWVWBHJOHZUSW-QGZVFWFLSA-N 342.447 1.461 0 40 EDAB CO[C@@H](C(=O)N1CCCN(c2cccnn2)CC1)c1ccccc1 69947762 MJPJJEZOGDSQHB-QGZVFWFLSA-N 326.400 1.903 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)N(Cc1cccs1)C1CC1 69922087 DHIZFZQQOOFCLP-LBPRGKRZSA-N 331.445 1.435 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)CN2CCc3ccccc3C2)c1 8749575 NKGARQVWPSMLPT-UHFFFAOYSA-N 345.424 1.331 0 40 EDAB O=C(Cn1cc(NC(=O)NC[C@@H]2CCCO2)cn1)NC1CCCC1 72309665 FZZGTXJJJDOAEI-AWEZNQCLSA-N 335.408 1.242 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC2CCN(C[C@@H](C)O)CC2)s1 95433023 KNOTXXUQDMIODN-GFCCVEGCSA-N 346.518 1.770 0 40 EDAB CCOC(=O)N(C)c1ccc(NC(=O)N[C@H]2CCC(=O)NC2=O)cc1 95454937 UAMKJYXYKBHTHY-LBPRGKRZSA-N 348.359 1.206 0 40 EDAB FC(F)(F)c1cc(N[C@H]2CCO[C@]3(CCOC3)C2)n2ncnc2n1 95458039 FUNFSTNGGWVOPN-TVQRCGJNSA-N 343.309 1.893 0 40 EDAB Cc1nc(NC(=O)C[C@H]2NC(=O)NC2=O)sc1-c1ccccc1 97915080 LMFVPSHFRJCFHK-SNVBAGLBSA-N 330.369 1.655 0 40 EDAB Cn1cc(Br)cc1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 98016156 IXZAGHZYDZWLRH-JTQLQIEISA-N 341.127 1.927 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)c1occc1CN1CCOCC1 95954830 UHGXKRCFYSLPMQ-UHFFFAOYSA-N 333.388 1.989 0 40 EDAB Cc1cc([C@@](C)(O)CNS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(C)o1 95972912 SOUCCZHCVIOFCD-ZOWXZIJZSA-N 346.449 1.048 0 40 EDAB CNC(=O)c1cccc(CCNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 74407530 KUHVLFIZLWTSMD-SJORKVTESA-N 344.459 1.467 0 40 EDAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)c1ccc[nH]1 9949766 DIEOEPFQQVJVPF-UHFFFAOYSA-N 331.353 1.292 0 40 EDAB COc1cc2c(cc1OC)CCN(C(=O)c1ccc(C)[nH]c1=O)CC2 75122882 ZSDAJIJOQWQGGD-UHFFFAOYSA-N 342.395 1.942 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N(CCN1CCCC1)c1ccccc1 75143912 ZKNHPLQTKSORDT-HNNXBMFYSA-N 336.457 1.550 0 40 EDAB Cn1cc(C[C@@H]2CCN(S(=O)(=O)c3cccc4nonc34)C2)cn1 89755596 HMEUQPYDGBCRNW-NSHDSACASA-N 347.400 1.210 0 40 EDAB O=C(NCc1cnn(Cc2ccccc2)c1)N1CCN(C2CC2)CC1 89841031 QINWOVZJOMNHHE-UHFFFAOYSA-N 339.443 1.921 0 40 EDAB CC(=O)N1CCCN(C(=O)c2ccc(=O)n(C)c2)c2ccccc21 89930555 CCLZDRWKIVHAIB-UHFFFAOYSA-N 325.368 1.789 0 40 EDAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(N)=O 409160627 VBHHHPCIDMVWGK-UHFFFAOYSA-N 333.417 1.114 0 40 EDAB COc1ccc(-c2cnc3n2CCN(C(=O)c2ccnn2C)C3)cc1 306140051 UIHNGIITCHLWIK-UHFFFAOYSA-N 337.383 1.948 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)c(Cl)c1 547873363 WTBAHJXCZATKDY-ZYHUDNBSSA-N 347.820 1.807 0 40 EDAB CCOC[C@@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O 218558173 FEULHMJOOJEMCV-MBNYWOFBSA-N 331.434 1.645 0 40 EDAB COc1cc2c(cc1O)CCN(C(=O)CSc1nncn1C)[C@H]2C 4061122 WUELXANXFPEWBN-JTQLQIEISA-N 348.428 1.767 0 40 EDAB biogenic COc1cc([C@@H]2CC(=O)c3c(N)ncnc3C2)cc(OC)c1OC 408712604 AQDRLRISCKOIBL-VIFPVBQESA-N 329.356 1.997 0 40 EDAB CO[C@@]1(C(=O)O)CCN(S(=O)(=O)c2cccc3cccnc23)C1 530151902 SXHALOQTVLRLCN-HNNXBMFYSA-N 336.369 1.099 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2ncc(F)cn2)[C@@H](C(=O)O)C1 72203004 UBVZNVJMDUNGPZ-SNVBAGLBSA-N 326.328 1.126 0 40 EDAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O 218077962 KYFMLCAOSZFIQH-IPYPFGDCSA-N 343.470 1.515 0 40 EDAB C[C@H]([C@H](O)c1cc2c(cc1Br)OCO2)N1CCOCC1 31624119 BVFGPUFWKJHUEU-OTYXRUKQSA-N 344.205 1.932 0 40 EDAB CCN(C[C@@H]1CCCN(C(=O)CN)C1)C(=O)OCc1ccccc1 79412413 UJQAAODWTBUNJN-INIZCTEOSA-N 333.432 1.842 0 40 EDAB CCN1CN(C(=O)NC2CCN(Cc3cccc(C)c3)CC2)CC1=O 195580014 URJSEVLHLNYACZ-UHFFFAOYSA-N 344.459 1.791 0 40 EDAB Cc1ccc(N2CC[C@H](NC(=O)N[C@H](C)Cn3ccnc3)C2=O)cc1 80568371 BXFNCHAELUNCFZ-ZBFHGGJFSA-N 341.415 1.685 0 40 EDAB COc1cccc(C(=O)NCc2ccnc(N3CCOCC3)n2)c1 224215572 WVDLRQNXYHAEEP-UHFFFAOYSA-N 328.372 1.252 0 40 EDAB O=C(Cc1cccnc1)N1CC(n2cc(COc3ccccc3)nn2)C1 225276727 OASZMLTXDSAGHP-UHFFFAOYSA-N 349.394 1.878 0 40 EDAB O=C(c1ccncc1)N1CCC2(CC[C@@H](C(=O)N3CCCC3)O2)CC1 96061249 WGBNVETXJYZALS-INIZCTEOSA-N 343.427 1.858 0 40 EDAB Cc1noc([C@@H]2CN(Cc3cc4c(cn3)OCCO4)CCN2C)n1 583651751 RTPYWGDGELTERG-ZDUSSCGKSA-N 331.376 1.033 0 40 EDAB NS(=O)(=O)c1cccnc1NCc1ccccc1-n1ccnc1 97104686 BXBCMRUZPJRLBO-UHFFFAOYSA-N 329.385 1.527 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](N(C)Cc1ccco1)CO2 96048035 XGFDWPKUGYMDLO-CQSZACIVSA-N 342.461 1.685 0 40 EDAB CC(C)Oc1cc(Br)cc(C(=O)NCCC(N)=O)c1 96445380 HHMFRQLBONFNMD-UHFFFAOYSA-N 329.194 1.842 0 40 EDAB O=C(CCNc1ncc(Br)cn1)NCc1ccccn1 97373111 AFGUMPUIPRCUID-UHFFFAOYSA-N 336.193 1.753 0 40 EDAB CCc1ccc(CN2CCC[C@]3(C(=O)O)CN(C(C)=O)C[C@@H]3C2)o1 96064244 DSJFWFSFIAHRQJ-KSSFIOAISA-N 334.416 1.987 0 40 EDAB O=C(CN1CCOC1=O)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618255159 MWIQGZXYGVWVHM-GFCCVEGCSA-N 342.355 1.062 0 40 EDAB Cc1nc(CN2CCO[C@@H]3CN(C(=O)C4CCC4)C[C@@H]3C2)cs1 96108146 NPOSBEVLKBCVLJ-GOEBONIOSA-N 335.473 1.911 0 40 EDAB CNC(=O)c1ccc(Cn2cc(I)cn2)cc1 96413714 ACGSYQCERFNVFG-UHFFFAOYSA-N 341.152 1.896 0 40 EDAB O=C(c1ccncc1)N1CC[C@H]2OCCN(c3cccnc3)[C@@H]2CC1 96249441 ASWPWVAWTYTTBT-QZTJIDSGSA-N 338.411 1.987 0 40 EDAB COc1ccc2nnc(CCCC(=O)NCCc3ccncc3)n2n1 96118644 JTIXSVITNQTXSE-UHFFFAOYSA-N 340.387 1.210 0 40 EDAB Cc1nc([C@@H]2CCN(CC(=O)NCc3cc(F)cc(F)c3)C2)n[nH]1 581534777 TYZCWAOWHAQOFK-GFCCVEGCSA-N 335.358 1.497 0 40 EDAB CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NC4CCCC4)C[C@@H]32)C(=O)N1C 96261595 CNEDZJWGAMAWEC-UVBSCNOISA-N 332.448 2.000 0 40 EDAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@@H](CN2CCOCC2)C1 96428465 VDICKZOBUKYSQY-ZDUSSCGKSA-N 344.864 1.683 0 40 EDAB CC(C)OCC(=O)N1CC[C@@H](c2ncncc2-c2ccnc(N)c2)C1 257334785 YHJWNRVTQSQIQG-CQSZACIVSA-N 341.415 1.862 0 40 EDAB Cc1cc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)no1 257277830 NZQDHOFWYBXGCH-MRXNPFEDSA-N 334.351 1.278 0 40 EDAB Cc1ccccc1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257299466 RQDXTBLCEJPQIA-ZHALLVOQSA-N 332.444 1.220 0 40 EDAB CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2nc(C(=O)O)co2)C1 585134012 AMFJFPAXWKZURM-WDEREUQCSA-N 337.376 1.274 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC(c3ccc(C)cn3)CC2)CC1 257310682 UGCKQWWHZNJXNI-UHFFFAOYSA-N 331.460 1.943 0 40 EDAB CC(=O)NCc1cnc(CC2CCN(Cc3cnn(C)c3)CC2)cn1 257214844 CNQOPTGSPACSNT-UHFFFAOYSA-N 342.447 1.301 0 40 EDAB O=C(NCCOc1ccc(F)cc1)[C@@H]1CCCN(C(=O)C2CC2)C1 42724889 RGYLLAGTYWSMRB-CQSZACIVSA-N 334.391 1.969 0 40 EDAB Cc1cc([C@H]2CN(C(=O)Cn3nc(C)cc3C)CCO2)nc(C)n1 257238258 HKEBAGNSVIAXJQ-MRXNPFEDSA-N 329.404 1.507 0 40 EDAB CC(=O)NCc1cnc(CC2CCN(C3CCN(C)CC3)CC2)cn1 257218204 DCFXTXOWYSBNCJ-UHFFFAOYSA-N 345.491 1.461 0 40 EDAB CNC(=O)NC1CN(C(=O)NCc2nc3ccccc3n2C2CC2)C1 252497993 QTFZDIUGDCEWFB-UHFFFAOYSA-N 342.403 1.194 0 40 EDAB O=C(c1cc([C@@H]2CNCCO2)nc2ccccc12)N1CCOCC1 257226475 FKTMUIXMRQWRJE-KRWDZBQOSA-N 327.384 1.368 0 40 EDAB Cc1cc(C(=O)O)c(F)c(S(=O)(=O)NC[C@@H]2CCOC[C@@H]2C)c1 285545612 SDPKACWUYBJCLS-QWRGUYRKSA-N 345.392 1.783 0 40 EDAB FC(F)(F)[C@@H](CCSc1nnnn1C1CC1)N1CCOCC1 1615001812 JDJVRLILXIEKDM-SNVBAGLBSA-N 337.371 1.753 0 40 EDAB CN(C[C@@H]1CCOC1)c1cc(S(=O)(=O)NCC2CC2)ccn1 1615045768 AFRZNARTMBUOIE-ZDUSSCGKSA-N 325.434 1.243 0 40 EDAB CC(C)N(C)C(=O)N1CCc2[nH]cc(Br)c(=O)c2C1 1615587421 ZJRFQWQAXGGOQB-UHFFFAOYSA-N 328.210 1.956 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](NCC2(CO)CC2)C2(CCOCC2)C1 1615572350 SHNPFEZAWHHVBV-AWEZNQCLSA-N 340.464 1.765 0 40 EDAB Cc1cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)nn1CCO 1615614174 NLPOPFLTYCUTGT-UHFFFAOYSA-N 333.772 1.777 0 40 EDAB Cc1ncc(S(=O)(=O)N2CCCNC(=O)[C@H]2CC(C)C)s1 292851847 WLIPVVVTLSQDBW-LLVKDONJSA-N 331.463 1.377 0 40 EDAB CCc1oncc1C(=O)N1CC2(CC[C@H](CN3CCCC3=O)CO2)C1 575405033 QLCANNQYTRKQDS-CYBMUJFWSA-N 347.415 1.481 0 40 EDAB Cc1noc(CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)n1 25026927 IVNLOJSYOKDMBG-UHFFFAOYSA-N 339.403 1.221 0 40 EDAB CN(C)c1nc(CNC(=O)c2ccc(Cl)s2)nc(N(C)C)n1 575604144 REEPUDNZDGELDB-UHFFFAOYSA-N 340.840 1.649 0 40 EDAB Cc1ccc(CN(c2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575420458 ITZWPCOHTOBYOZ-ZWKOTPCHSA-N 347.436 1.865 0 40 EDAB Cc1ccc(OC[C@]2(O)COCCN(Cc3cnccn3)C2)cc1 585269465 VMBVRKVPRLYCGR-GOSISDBHSA-N 329.400 1.427 0 40 EDAB COC[C@H]1CN(C)C2(C1)CN(S(=O)(=O)c1ccccc1F)C2 585093888 NAEZNCHXXORXQG-GFCCVEGCSA-N 328.409 1.167 0 40 EDAB Cc1ccc(N2C[C@]3(CCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)CC2=O)cc1 585101579 UAAVKJFWWQEZCZ-NDUPCHFUSA-N 340.423 1.843 0 40 EDAB CO[C@H]1CN(C(C)=O)C[C@@H]1CC(=O)NC1(c2ccccc2F)CC1 585281243 UXFFSPRIFWJSIP-BBRMVZONSA-N 334.391 1.814 0 40 EDAB COc1cncc(N2CCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)CC2)c1 585140834 LGLDGCIMGKAJKX-ZBFHGGJFSA-N 349.431 1.323 0 40 EDAB COC1(c2ccnn2C)CN(c2nc(C3CCOCC3)ns2)C1 1548519353 XHXZNHMSDMWMTA-UHFFFAOYSA-N 335.433 1.528 0 40 EDAB COC(=O)c1cc(Cl)c(NC(=O)N2CC(OC)C2)cc1OC 72285540 UYJRPVYQJCNSGY-UHFFFAOYSA-N 328.752 1.998 0 40 EDAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2-c2ccccc2)CCO1 51164154 WNYRWYDLAGYXOU-HNNXBMFYSA-N 346.408 1.228 0 40 EDAB O=C(NCCN1C(=O)CNC1=O)c1ccc(F)c(C(F)(F)F)c1 78693213 IDOGAWSTPYBTMZ-UHFFFAOYSA-N 333.241 1.126 0 40 EDAB CC(C)(CNC(=O)C1(Cc2ccccc2)CCC1)NS(C)(=O)=O 89761711 JLVSPWILKYETGP-UHFFFAOYSA-N 338.473 1.843 0 40 EDAB COCCOC[C@H]1CCN(C(=O)c2cc(Br)cn2C)C1 96431796 ABVWYEQNHILFAK-NSHDSACASA-N 345.237 1.913 0 40 EDAB C[C@@H](C(=O)OC(C)(C)C)N1C[C@H](NC(=O)OC(C)(C)C)CC1=O 1772714730 NSUKOJROGDRLLU-WDEREUQCSA-N 328.409 1.842 0 40 EDAB CCOCCCNC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O 13711452 FFVFDPRCUXWPEY-OAHLLOKOSA-N 342.461 1.774 0 40 EDAB CCn1nccc1CNS(=O)(=O)c1ccc(OC)c(OC)c1 14239276 LENOJHWEHULHOF-UHFFFAOYSA-N 325.390 1.399 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)OCc1nc2ccccc2o1 16275470 SZVBXLFVFMKOES-UHFFFAOYSA-N 336.307 1.676 0 40 EDAB CS(=O)(=O)N1CCN(Cc2cc(-c3cccs3)on2)CC1 16438889 JTRYFSTZYVKBTI-UHFFFAOYSA-N 327.431 1.480 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3ccc(C)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526729 WBUOAAWGZNQQAU-WZTLGTBRSA-N 330.384 1.192 0 40 EDAB C[C@H](C(=O)N1CC(CC(F)F)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 572835775 VIENIEFHJPIBGJ-YUSALJHKSA-N 328.359 1.664 0 40 EDAB CC(C)n1cc(S(=O)(=O)N2[C@@H](C)C(=O)N(C)[C@H](C)[C@H]2C)cn1 585129443 JRBHMJSCBPEGCJ-UTUOFQBUSA-N 328.438 1.092 0 40 EDAB CN1CCN(S(=O)(=O)c2csc3ccccc23)[C@H](CO)C1 585115260 SWOPVSXKOFRXEL-NSHDSACASA-N 326.443 1.198 0 40 EDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCCn2ccnc2)CC1=O 8424807 HGEQSWVSAWWINX-WBVHZDCISA-N 340.427 1.999 0 40 EDAB Cc1nccc(N2CC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)C2)n1 1888869585 FWDWLRLNYCHPKA-MRXNPFEDSA-N 346.456 1.826 0 40 EDAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cnc(C)cc2=O)c1 1889128203 RADZQCXUEDQWRN-XYPWUTKMSA-N 341.415 1.451 0 40 EDAB CNC(=O)c1cnn2c([C@H]3CCCN(C(=O)C(C)(C)C)C3)ccnc12 1848352093 BYRIGAONHMEQED-LBPRGKRZSA-N 343.431 1.841 0 40 EDAB Cc1ncsc1C(=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 238951837 XCAXVHHEYUJLIE-LBPRGKRZSA-N 345.380 1.901 0 40 EDAB COc1ccnc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n1 2087127711 ISYRCZZXTXSFQW-UHFFFAOYSA-N 344.297 1.209 0 40 EDAB COc1nc(OC)nc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)n1 2087136696 BGQDBTZRDQWIOG-LLVKDONJSA-N 337.424 1.362 0 40 EDAB Cc1ncnc(C(=O)N2CCC3(CC2)CC(NC(=O)N(C)C)C3)c1C 1565546389 ZUVMVFZJAJSDTB-UHFFFAOYSA-N 345.447 1.749 0 40 EDAB O=S(=O)(NCc1nnnn1C1CCCCC1)c1cccc(F)c1 10594663 KAAHRFHDAMSEDL-UHFFFAOYSA-N 339.396 1.796 0 40 EDAB CN(C)CCN1CCO[C@H]2CN(C(=O)/C=C/c3cccs3)C[C@@H]21 2055747762 VFARVJJXPVHEIO-DKLOGILVSA-N 335.473 1.235 0 40 EDAB Fc1cccnc1N1C[C@@H]2CN(c3ncnc4[nH]cnc34)C[C@H]2C1 2086868941 FWFXQGHYMPYBEE-GHMZBOCLSA-N 325.351 1.460 0 40 EDAB COc1ccc(-c2ccc(=O)n(CC3CCNCC3)n2)cc1OC 12144716 UGKQUBMAYXURHK-UHFFFAOYSA-N 329.400 1.927 0 40 EDAB Cc1nnnn1-c1cccc(NC(=O)C(=O)NC2CCCCC2)c1 40285347 NLCGRGWMROMOLB-UHFFFAOYSA-N 328.376 1.358 0 40 EDAB CN(C)/C=C1\N=C(c2ccccc2I)OC1=O 30828514 LODCMIGUMQOJJH-YFHOEESVSA-N 342.136 1.998 0 40 EDAB CCOC(=O)c1c(O)c2cnc(-c3ccccc3)nc2n(C)c1=O 100227191 SIKIWDBBIFKIIT-UHFFFAOYSA-N 325.324 1.878 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)nc1 20223754 LHXMFSZYBCQLPO-UHFFFAOYSA-N 341.367 1.577 0 40 EDAB CCN1C[C@H](C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1=O 31216001 OVUIKNQMSZWBEL-CYBMUJFWSA-N 327.388 1.691 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 50718374 JVOQUFODRSGROL-CYBMUJFWSA-N 329.404 1.196 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c3ncccc23)CC1 40490460 DSBORIDDVHXPNX-UHFFFAOYSA-N 333.413 1.396 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)N[C@@H]2CCSC2=O)CC1=O 20371733 WXZLBXOZKNMLLC-CHWSQXEVSA-N 332.425 1.750 0 40 EDAB CN(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1 31506732 BHMKMCGVIASCRK-UHFFFAOYSA-N 330.388 1.011 0 40 EDAB CC(C)OCCCNC(=O)C[C@@H]1NC(=O)c2ccccc2N=C1O 32124067 MZHFKJDYURPYLM-AWEZNQCLSA-N 333.388 1.708 0 40 EDAB biogenic O=C(NCCc1ccc(O)cc1)c1ccc(F)cc1-n1cnnn1 20723609 SSEZXUNBENKFRT-UHFFFAOYSA-N 327.319 1.480 0 40 EDAB COc1ccc(CCNc2c(NCc3ccncc3)c(=O)c2=O)cc1 101698040 JSAUSKPQOUZCBE-UHFFFAOYSA-N 337.379 1.953 0 40 EDAB CC(C)[C@H](NC(N)=O)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 32857547 FJCDKQJRAYCVBW-AWEZNQCLSA-N 332.404 1.344 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 46864580 IGEZHILNLUZZTC-AWEZNQCLSA-N 332.400 1.145 0 40 EDAB CC(=O)N1CCN([C@H]2CN(Cc3nnsc3Cl)C[C@@H]2C)CC1 76055855 KPBMBPTXHZJRJC-GWCFXTLKSA-N 343.884 1.176 0 40 EDAB O=S(=O)(NCC1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 1350839 YIVQZJFFFNLUFW-UHFFFAOYSA-N 344.458 1.159 0 40 EDAB COc1ccc(CCN2C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1OC 2876356 IYAZKECBAROYGG-SDSIWUNFSA-N 329.352 1.185 0 40 EDAB CCN1C(=O)[C@H]2[C@@H](c3cccc(F)c3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 4388688 YETVZQMIBWNCBG-IPJQOSJUSA-N 334.347 1.023 0 40 EDAB CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(OC)cc3)no2)C1=O 22713940 WBULNDROVDQJJM-UHFFFAOYSA-N 330.300 1.056 0 40 EDAB CNC(=O)NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 6099310 BUYQCAJPLWTMPD-UHFFFAOYSA-N 334.188 1.584 0 40 EDAB O=C(NCCN(CCO)C(=O)c1ccc(F)cc1)c1ccc(F)cc1 6863192 PDAKBCMFKOVHFM-UHFFFAOYSA-N 348.349 1.829 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-n2cncn2)nc1 23056337 YOQBINWEHYZAGK-UHFFFAOYSA-N 347.338 1.011 0 40 EDAB CN1CCN(C[C@H](NC(=O)NC[C@H]2CCOC2)c2ccccc2)CC1 72232608 DSYPKEJAGMSCCZ-AEFFLSMTSA-N 346.475 1.311 0 40 EDAB O=C(NCCc1nnc2n1CCC2)c1cncc(Br)c1 54562518 KPMGLYFGJRJKFZ-UHFFFAOYSA-N 336.193 1.354 0 40 EDAB CN(C)c1ncccc1CNc1cc(N2CCC[C@@H]2CO)ncn1 72276115 IMWQIHQLZLDFBL-CQSZACIVSA-N 328.420 1.511 0 40 EDAB Cc1noc(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 72280641 BTNLRBRJYBODHX-HNNXBMFYSA-N 327.384 1.911 0 40 EDAB NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCS(=O)CC1 72296411 UHCVSBQKEUWKGV-LLVKDONJSA-N 349.225 1.179 0 40 EDAB COCCN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 24586203 SOKKAKOZNRUCRK-UHFFFAOYSA-N 348.834 1.654 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 24995557 XGMJYVHAZGYTFR-ONGXEEELSA-N 344.337 1.325 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 25254577 XFLUHDAYLNLBMT-HNNXBMFYSA-N 348.359 1.803 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cn1 72269318 OXMQTFBBNDWENR-CVEARBPZSA-N 333.432 1.540 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NC2CC2)cc1 25301500 VYKPOIGCILDEPJ-HNNXBMFYSA-N 344.415 1.711 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C)ccn2)cc1 9834523 NASRGXATTOBGFN-GFCCVEGCSA-N 349.412 1.704 0 40 EDAB Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)no1 47872393 GKVTZZLPJKTEPM-INIZCTEOSA-N 333.363 1.925 0 40 EDAB COCCCNC(=O)[C@@H](C)N1CCN(c2nc(C)cs2)CC1 47891247 FKGAXODASBDNMR-CYBMUJFWSA-N 326.466 1.115 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc2c(s1)CCC2 25767615 QSHCHNWIHIMNJF-UHFFFAOYSA-N 334.401 1.435 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)cc1 57019494 FDFKKQRDFGGAHK-OAHLLOKOSA-N 334.372 1.890 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)NCCNc1ncccn1 57062177 VSNGQYFZRGCUFO-UHFFFAOYSA-N 341.400 1.540 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)c2nc3nc(C)cc(C)n3n2)no1 72299117 YATBBQBQBOFXLX-NSHDSACASA-N 341.375 1.664 0 40 EDAB O=C(NCCNc1cc(N2CCC[C@@H]2CO)ncn1)c1cccs1 72276141 XKEVSFDZLZFWPU-GFCCVEGCSA-N 347.444 1.341 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12609820 WACIXMXEBVEAPU-TZMCWYRMSA-N 329.400 1.775 0 40 EDAB COCCn1c(SCC(=O)NC(C)C)nc2ccsc2c1=O 57425808 FXASJDUHJMFLSP-UHFFFAOYSA-N 341.458 1.721 0 40 EDAB CS(=O)(=O)CCn1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1=O 108363288 UYLCIVSRRKKSRP-RWMBFGLXSA-N 338.429 1.268 0 40 EDAB CN(Cc1nc(=O)[nH][nH]1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108489512 JFFNYIIRTLPVMQ-ZYHUDNBSSA-N 329.187 1.495 0 40 EDAB O=C(c1cccc(Cl)c1)N1CCN(CCN2C(=O)CCC2=O)CC1 26918726 XCECSTMMDBVAFP-UHFFFAOYSA-N 349.818 1.247 0 40 EDAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cncc(Br)c1 97106981 VKOLCVJGFRYVJE-UHFFFAOYSA-N 347.172 1.944 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)C[C@H]1C(=O)Nc3ccccc31)CC2 97198089 YGCPCEBXLVNPCP-DGCLKSJQSA-N 339.399 1.398 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)N1CCOCC1 58078230 HROWAFUMSXVXFN-HUUCEWRRSA-N 342.443 1.990 0 40 EDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)N1CCc2ccccc21 3312432 ADXTYKZSTJKJJV-SXGWCWSVSA-N 346.408 1.556 0 40 EDAB C[C@H]1CN(C[C@H](O)Cn2cnc3cc(F)c(F)cc32)C[C@@H](C)O1 58171724 ULTFFBHOIQEYMN-TUAOUCFPSA-N 325.359 1.785 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)on1 58293965 HINSIORYDONICN-QLFBSQMISA-N 336.436 1.495 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 44969739 MTISPONLMDBQGU-KBPBESRZSA-N 329.408 1.030 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CCNS(=O)(=O)c2ccc(C(N)=O)cc2)C1 44937491 HFJCEWULJHZIMI-CHWSQXEVSA-N 339.461 1.042 0 40 EDAB COc1ccccc1CN1C[C@H](C(=O)N2CCCC2)[C@H]2OCC[C@H]21 108531342 UVQMAHSTXFZVAO-LZLYRXPVSA-N 330.428 1.907 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(N2CCOCC2)cc1 58426646 YKUCYYTWOWKNAF-HIFRSBDPSA-N 331.416 1.249 0 40 EDAB Cc1cc2n(n1)C[C@H](CNCCNC(=O)Cc1ccc(F)cc1)CN2 58433971 UCIOPGRIQSSTFH-OAHLLOKOSA-N 345.422 1.321 0 40 EDAB COc1ccccc1[C@H](CNS(C)(=O)=O)NC(=O)OC(C)(C)C 48375426 SNFSXKCOQPOGQP-LBPRGKRZSA-N 344.433 1.810 0 40 EDAB CC(C)CCN1C(=O)c2ccc(C(=O)O[C@H]3CCOC3=O)cc2C1=O 3471646 GHNBMKPXSHBOKX-AWEZNQCLSA-N 345.351 1.801 0 40 EDAB CC[C@H](C)NC(=O)CN1CCN(c2ncnc3ccsc23)CC1 29532175 TXQBZJXGFAEMSI-LBPRGKRZSA-N 333.461 1.728 0 40 EDAB COc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(COC(C)=O)C=C[C@H]3O2)c1 409279334 GUPVJTOGRVMUHE-ADAWSYLGSA-N 343.335 1.071 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2c(C)nc3ncnn3c2O)c(C)c1 8994324 ZDWCQOYZZHXXAA-UHFFFAOYSA-N 333.373 1.556 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)NCc1ccccc1Cl 3618023 CJXCUVMIXGQOOL-UHFFFAOYSA-N 328.759 1.761 0 40 EDAB CN1CCO[C@@H](CNCc2ccc(OCc3nccn3C)cc2)C1 65624281 JDPFILPUGICQML-KRWDZBQOSA-N 330.432 1.419 0 40 EDAB Cc1ccc(NC(=O)COC(=O)C[C@H]2CCS(=O)(=O)C2)cc1C 6584337 LVPGNPUMCMPYQM-CYBMUJFWSA-N 339.413 1.610 0 40 EDAB O=C(CNc1cnn(-c2ccccc2)c(=O)c1Cl)N1CCCC1 14332380 ZHCAJYAYSRLOIA-UHFFFAOYSA-N 332.791 1.920 0 40 EDAB CCCCOC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 4787620 WEKJSEISRFNYCD-QGZVFWFLSA-N 348.355 1.526 0 40 EDAB COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCC2)cc1 9342966 SMKLCHFCDXMZFN-UHFFFAOYSA-N 326.418 1.422 0 40 EDAB C[C@@H](C(=O)c1ccc(Cl)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 4829774 HEZJANAVORXJBY-VIFPVBQESA-N 346.774 1.531 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)c2c[nH]c3ccccc23)cc1 9306319 QMMSQELFPASHNX-UHFFFAOYSA-N 343.408 1.788 0 40 EDAB COc1ccc(CCCNC(=O)c2ccc(N3CC(O)C3)nc2)cc1 67934859 ABNZZNJQRHMRIB-UHFFFAOYSA-N 341.411 1.634 0 40 EDAB CCCCn1c(N)c(N(CC)C(=O)c2ccccc2)c(=O)[nH]c1=O 7764539 YGNDAHUJTHTIRY-UHFFFAOYSA-N 330.388 1.586 0 40 EDAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1cccnc1Cl 7979336 NWYJRULRHDXYQV-UHFFFAOYSA-N 341.776 1.449 0 40 EDAB O=C(CNC(=O)NCc1ccco1)NC[C@H]1C[C@H]1c1ccccc1 96405490 IEWBXKSXAVDQTK-ZBFHGGJFSA-N 327.384 1.999 0 40 EDAB CC(C)c1nc(NC(=O)C2CCN(c3cnccn3)CC2)n(C)n1 96407242 YXDQVENFSKJWOF-UHFFFAOYSA-N 329.408 1.584 0 40 EDAB O=C(Cc1cccc(F)c1)NCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 81701299 QHMNTLDZXTZBTL-QFBILLFUSA-N 342.370 1.259 0 40 EDAB C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H](C(N)=O)c1ccccc1 69394413 PKGAUUBJDODXMH-GUYCJALGSA-N 345.443 1.804 0 40 EDAB Cc1ccn2cc(C(=O)N3CCC(N4CCO[C@@H](C)C4)CC3)nc2c1 71821645 GBZUGMZPLSSEHA-HNNXBMFYSA-N 342.443 1.968 0 40 EDAB CC1CCN(C[C@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)CC1 71825025 CRYUGOGHSIUFBO-SUMWQHHRSA-N 335.404 1.139 0 40 EDAB COc1cccc(NC2CCN(C[C@H](O)Cn3cccn3)CC2)c1 71897353 BFNCRQWYNHIHNK-KRWDZBQOSA-N 330.432 1.829 0 40 EDAB COCc1cccc(C(=O)NCCC(=O)NCc2ccncc2)c1 69458515 KGIIVXNTHGCSLJ-UHFFFAOYSA-N 327.384 1.664 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 69454832 XXLXMWZYUCTQER-NHYWBVRUSA-N 334.395 1.689 0 40 EDAB CCOc1ccccc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 69443944 RCNVKYNUGJISBT-INIZCTEOSA-N 347.459 1.758 0 40 EDAB COCc1cccc(NC(=O)C(=O)NCCc2c(C)noc2C)c1 71886101 PQXMEAAGSJHJOK-UHFFFAOYSA-N 331.372 1.735 0 40 EDAB Cc1cccc(OC[C@H](O)CN2CCCC[C@@H]2Cn2cncn2)c1 69571034 NXBOGPQCSJLCPB-IAGOWNOFSA-N 330.432 1.881 0 40 EDAB C[C@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)CCN1Cc1nccn1C 69510568 LELLYVMTTGVUBD-GUYCJALGSA-N 345.422 1.292 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2nccs2)CC1 71820827 OUNSUAOTYFILJZ-UHFFFAOYSA-N 331.397 1.763 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1csc(-c2ncccn2)n1 69662943 RFQHJADGMFPNKN-CQSZACIVSA-N 347.425 1.528 0 40 EDAB C[C@H](N[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)C(=O)NC1CC1 69624780 FYRTWLRMXBWHDZ-SMDDNHRTSA-N 333.436 1.168 0 40 EDAB Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(CC(C)(C)O)CC1 69771706 RBOQLIIRLKMSNB-UHFFFAOYSA-N 347.415 1.701 0 40 EDAB COCCOc1cccc(C(=O)N2CCN(CC(C)(C)O)CC2)c1 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1.581 0 40 EDAB Cc1nc2ccnn2cc1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 556180508 SELPDJGPUXABES-ZDUSSCGKSA-N 339.403 1.170 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 46923289 BEJSVJJJSIGQRE-RYUDHWBXSA-N 326.418 1.409 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306144442 ZFKQZHIRWGRDDT-AWEZNQCLSA-N 340.383 1.572 0 40 EDAB CC1(C)OC[C@H]2C[C@@]21NC(=O)N=c1cc[nH]cc1Br 529042485 RVKATXXCZLGESE-AMIZOPFISA-N 326.194 1.955 0 40 EDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 32080821 ITTCBHBTPLNCPR-UHFFFAOYSA-N 348.380 1.681 0 40 EDAB O=C(c1cnc([C@H]2CCCO2)s1)N1CCC(c2nc(O)n[nH]2)CC1 539927047 IPERKEAOCJZUER-SNVBAGLBSA-N 349.416 1.838 0 40 EDAB COCCn1ccc2c(NC(=O)c3ccc4nnnn4c3)cccc21 72404664 INGHFYFEWNKGKW-UHFFFAOYSA-N 336.355 1.978 0 40 EDAB Cn1[nH]c([C@H]2CCCN2C(=O)[C@@H]2CCc3ccccc3C2)nc1=N 520416853 VYFVNLZXZPLJIW-HUUCEWRRSA-N 325.416 1.696 0 40 EDAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(Cc2ccon2)CC1 72722898 RAUIHCQGCHYUOU-ZDUSSCGKSA-N 339.399 1.790 0 40 EDAB COCCN(CC(F)F)C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C 78441155 SZJPBTAPOVROJC-NWDGAFQWSA-N 335.395 1.699 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCCC3)o2)C1=O 33422432 SFMRVOLWMBRETH-JLHYYAGUSA-N 347.371 1.726 0 40 EDAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2cncn2-c2ccccc2)C1 76375323 XOEYJGAPOGCTEQ-HIFRSBDPSA-N 347.440 1.958 0 40 EDAB COc1cc(-c2noc([C@H]3CC(=O)N(c4cn[nH]c4)C3)n2)ccn1 186402393 UFTDOOGZYRCOCB-JTQLQIEISA-N 326.316 1.384 0 40 EDAB CCCNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217543818 PVLGBGNBYDJGFW-LLVKDONJSA-N 342.417 1.664 0 40 EDAB O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(O)nn1 78917099 OXVULVOERPKBLG-LLVKDONJSA-N 348.353 1.855 0 40 EDAB COCCN1CCC[C@H](c2cc(CCC(=O)N(C)C)nc(C)n2)C1 72366997 SDKCITCZLGPXHG-HNNXBMFYSA-N 334.464 1.632 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC 218514244 SIPVHLNMZGRCOT-IPYPFGDCSA-N 345.848 1.749 0 40 EDAB CC(C)OCC[C@@H]1CCCCN1C(=O)NCCN1CCOCC1 78984349 PSFDAEAIZDISOR-INIZCTEOSA-N 327.469 1.698 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 48302409 CWPYVERXTQICDB-HYVNUMGLSA-N 326.400 1.755 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)c1cccc(C)c1 41097740 VWFVYIUYTNRDRJ-HNNXBMFYSA-N 334.416 1.819 0 40 EDAB O=C1CCSC[C@H](C(=O)Nc2nc(-c3cccnc3)cs2)N1 75171009 DJHSKMDHUGTSKN-LLVKDONJSA-N 334.426 1.765 0 40 EDAB Cc1ccc([C@H](C)N[C@H]2CCCN(CCN3CCOCC3)C2=O)o1 195557270 MXTWLAGJFWIXBT-HOTGVXAUSA-N 335.448 1.562 0 40 EDAB Cn1ccc(-c2cc(C(=O)N3CCOC4(CCOCC4)CC3)n[nH]2)c1 571699779 KCMKLAJUIBJNKA-UHFFFAOYSA-N 344.415 1.827 0 40 EDAB CCCCN1CCOC[C@H]1C(=O)NS(=O)(=O)c1ccccc1F 194873299 OHVTYGDLLOFPHB-ZDUSSCGKSA-N 344.408 1.132 0 40 EDAB C[C@@H](NC1CC1)C(=O)NCc1ccc(C(=O)N=c2cc[nH]cc2)cc1 576277948 ZALXTRUXNRFVLI-CYBMUJFWSA-N 338.411 1.513 0 40 EDAB O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1ccc(F)cc1 224273957 VZQCGUWSGZNRSC-UHFFFAOYSA-N 338.364 1.253 0 40 EDAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CC1 223913392 PIIZIYMHVYVWLH-CQSZACIVSA-N 326.418 1.518 0 40 EDAB CN1C(=O)[C@@](C)(C(=O)NCCCn2ccnc2)Sc2ccccc21 40808234 OOCDWMSXZMWUSS-QGZVFWFLSA-N 344.440 1.917 0 40 EDAB Cn1cccc(C(=O)NCCc2csc(-n3cccn3)n2)c1=O 90609446 SVOOKPSBEJYFPS-UHFFFAOYSA-N 329.385 1.000 0 40 EDAB Clc1ccc(OCCN2CCN(CCn3cncn3)CC2)cc1 96403567 JIGQKEJNUDBOMN-UHFFFAOYSA-N 335.839 1.628 0 40 EDAB O=C(c1ccncc1)N1CCO[C@@]2(COCCN(CC3CC3)C2)C1 96076643 UQYUNNONKJERBL-GOSISDBHSA-N 331.416 1.035 0 40 EDAB Cc1nc(CN2CCn3c(Cn4cncn4)cnc3[C@@H]2C)cs1 96201274 IUSHVEGIYNUFHR-NSHDSACASA-N 329.433 1.865 0 40 EDAB Cn1nccc1C(=O)NCCC(=O)Nc1nc(C(C)(C)C)cs1 96192362 QRXUUZJKYUYKAM-UHFFFAOYSA-N 335.433 1.933 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96107777 QWGDQYPYIFJXGT-ZBFHGGJFSA-N 338.429 1.324 0 40 EDAB CC(C)C(=O)N1CCC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225118 COGILNGUFNWXGC-SFHVURJKSA-N 344.415 1.491 0 40 EDAB O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)N1CCCC1 96044446 HMABKKHNAJXUQG-INIZCTEOSA-N 348.447 1.729 0 40 EDAB CCOC[C@@H]1C[C@@]2(COCCN2S(=O)(=O)c2cccs2)CO1 96240737 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333.251 1.006 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(Cl)c2)Cc2cncn21 247964779 RXBWGMLCFMIVRJ-CYBMUJFWSA-N 348.790 1.488 0 40 EDAB C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1 585085916 WGTNZIQQZAXZSK-XNRPHZJLSA-N 344.459 1.840 0 40 EDAB COc1ccc(S(=O)(=O)N2Cc3cccn3C[C@@H](OC)C2)cc1 247817541 BVLDPKLLODOLFI-OAHLLOKOSA-N 336.413 1.716 0 40 EDAB CCCC(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2C(N)=O)C1 585113392 ZDTIILRIWMDTFN-NSHDSACASA-N 335.379 1.902 0 40 EDAB O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCc2ccccc21 585122310 WOYAWJIADWWESF-GHMZBOCLSA-N 333.331 1.799 0 40 EDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(Cc2cc(C)on2)C3)n1 253479803 SLEYYXJQHBIJHM-HNNXBMFYSA-N 330.388 1.894 0 40 EDAB CN(CCc1ccccn1)[C@H]1[C@H](N)C[C@@H](Oc2ccccc2)[C@@H]1O 257308874 TYOWROFXOOJQLK-YRXWBPOGSA-N 327.428 1.464 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)cs1 257344320 ZWQPWCQGAKKAJU-AWEZNQCLSA-N 348.428 1.350 0 40 EDAB Cc1csc(Nc2cc([C@@H]3CCN(CC(N)=O)C3)nc(C)n2)n1 257285407 PGYONDZVPUUGSJ-LLVKDONJSA-N 332.433 1.568 0 40 EDAB CC(=O)N1CCCN(Cc2cnc([C@@]3(C)CCCCO3)nc2)CC1 257308433 TWRIFCHTISUUMY-GOSISDBHSA-N 332.448 1.947 0 40 EDAB COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccc(Cl)cc1C 252495947 PDUGPJCAQJKSHS-VHSXEESVSA-N 347.820 1.906 0 40 EDAB CC(=O)N1CCN(CCc2ccc(F)cc2)C[C@H](C(=O)N(C)C)C1 257227210 FODDAUDCKNFJGI-INIZCTEOSA-N 335.423 1.237 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)NC[C@]1(O)CCN(c2ccccn2)C1 257234061 GRXJKUXORBSWDN-GOSISDBHSA-N 343.431 1.112 0 40 EDAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@@H](C)N1CCOC[C@H]1C 253369851 IWJLATUJWOCIEL-IOASZLSFSA-N 349.479 1.982 0 40 EDAB CN(C)c1nccnc1C[C@H]1CCCN(C(=O)c2ccnnc2)C1 257237877 HIPZRIXJBWMVBC-CYBMUJFWSA-N 326.404 1.428 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(C(=O)c2cc3ccccc3s2)C1 257266854 MEVZGJAFVYSICE-ZDUSSCGKSA-N 331.441 1.651 0 40 EDAB CN(C(=O)CCCn1cccn1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257285415 PGZLHHNCNNQPMV-JFIYKMOQSA-N 344.415 1.488 0 40 EDAB Cc1cccnc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1 257294804 QVUVKCNDUSMITR-HUUCEWRRSA-N 342.351 1.353 0 40 EDAB O=C(CCc1cccs1)NC[C@@]1(O)CCN(c2cnccn2)C1 257242498 ICUWSNXXYCTILD-INIZCTEOSA-N 332.429 1.228 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 257241457 HYCDJDGENFYPQN-HNNXBMFYSA-N 332.429 1.880 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCO[C@H](c2cccc(N)n2)C1 257285912 PJKHBYNXOHQTJI-HNNXBMFYSA-N 329.404 1.157 0 40 EDAB COCc1c(C(=O)N2CCO[C@H](c3cccc(N)n3)C2)noc1C 257320032 VVBHXHFEHOUCGZ-ZDUSSCGKSA-N 332.360 1.320 0 40 EDAB COCCOC[C@@H]1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)C1 266443156 UVUFQKPEFSBWRC-JJRVBVJISA-N 335.400 1.726 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC(n3ccnn3)CC2)cc1C 378357604 CPJDTXWGZYKPES-UHFFFAOYSA-N 336.417 1.621 0 40 EDAB CN(C[C@H]1CCc2ccccc21)C(=O)c1cccn(CC(=O)O)c1=O 1615002637 DEZPBKPEFXTMCS-CQSZACIVSA-N 340.379 1.735 0 40 EDAB CCOC(=O)c1c(NC(=O)c2cn(C)nn2)c2c(F)cccc2n1C 1615587293 CYWHTIQXDTXCSA-UHFFFAOYSA-N 345.334 1.875 0 40 EDAB O=C([C@H]1NCC12CCCC2)N1CCn2ncc(Br)c2C1 1615555456 KANQETGHPXQHCG-GFCCVEGCSA-N 339.237 1.520 0 40 EDAB CO[C@]1(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)CCSC1 96097730 WQKBVKJKCYLERM-HNNXBMFYSA-N 326.393 1.711 0 40 EDAB COc1ccc(S(=O)(=O)N2c3ncccc3NC(=O)[C@H]2C)cn1 390835252 HVRJDDMQUFARLV-SECBINFHSA-N 334.357 1.021 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)nn1 96120411 XCQFDUXJUQLIPL-SNAWJCMRSA-N 343.387 1.090 0 40 EDAB COc1ccc(N(C)C(=O)c2cc(S(N)(=O)=O)oc2C)cc1F 390833338 GGFIVVIUGSILGQ-UHFFFAOYSA-N 342.348 1.660 0 40 EDAB CC(C)(C)n1nnnc1SC[C@@H]1CCCN(S(C)(=O)=O)C1 390834029 QMPFHJHWZGSIGL-SNVBAGLBSA-N 333.483 1.192 0 40 EDAB CS(=O)(=O)CCn1nnc(Cc2ccc(C(F)(F)F)cc2)n1 390835311 KEBXCPCXAIETBZ-UHFFFAOYSA-N 334.323 1.327 0 40 EDAB O=C(c1cc[nH]n1)N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1 575403657 IZBOYRLJQXUKDD-AWEZNQCLSA-N 328.372 1.395 0 40 EDAB O=C(NC[C@@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1)c1cnccn1 575403393 JUNBNSIIKPWFJG-ZDUSSCGKSA-N 344.415 1.014 0 40 EDAB COC[C@@]1(CC(=O)NCc2ccc(F)cc2F)CCCN1C(C)=O 585280379 GWMJQIAPQWOLHA-KRWDZBQOSA-N 340.370 1.999 0 40 EDAB CC(C)NC(=O)[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@H]2CCO[C@H]21 585109186 ZDDMSLLKOUULFY-VYDXJSESSA-N 334.391 1.509 0 40 EDAB C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 29201894 KLVXXTZZILNFPE-UKRRQHHQSA-N 340.445 1.132 0 40 EDAB Cn1c(SCc2nc3c(F)cccc3[nH]2)nnc1N1CCOCC1 69570389 NEHWEHPWXUQINW-UHFFFAOYSA-N 348.407 1.959 0 40 EDAB CCCNC(=O)CCNC(=O)CSCc1nc2ccccc2[nH]1 69510474 KOTXRBINXVNQSS-UHFFFAOYSA-N 334.445 1.829 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cn1 71796876 YMHMFKISPFBNSY-CZUORRHYSA-N 330.432 1.875 0 40 EDAB CCO[C@H]1CCCN(C(=O)Cc2c(C)nc3c(c2C)c(=O)[nH]n3C)C1 71856799 MOCLUFQWNOKZIG-ZDUSSCGKSA-N 346.431 1.448 0 40 EDAB O=C1CC[C@@H](C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)N1 72270364 OTDDAGFSPYOVHU-INIZCTEOSA-N 349.862 1.947 0 40 EDAB NS(=O)(=O)CCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 44979820 HRVNSCQDSXUHIF-UHFFFAOYSA-N 344.864 1.947 0 40 EDAB CS(=O)(=O)Nc1nnc(NC(=O)CCc2ccccc2)s1 47293056 ZDLKKJHJIHVJNO-UHFFFAOYSA-N 326.403 1.481 0 40 EDAB NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 76421412 ZIRRQVVJMYIZET-ZDUSSCGKSA-N 347.440 1.485 0 40 EDAB CN(CCc1ccccc1F)C[C@@H]1CCCN(S(C)(=O)=O)C1 85795842 PBLHGDMAXYEHNR-AWEZNQCLSA-N 328.453 1.972 0 40 EDAB CC(CN1CCCC2(C1)OCCO2)CN1CCCC2(C1)OCCO2 90563104 QDEIFZOFFKNQGH-UHFFFAOYSA-N 340.464 1.300 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@@H](CC(=O)O)C1 91293966 JXCVZTUJOJDDSO-NSHDSACASA-N 333.793 1.513 0 40 EDAB CC(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc1 95956692 ICPDEYDTEBYMTJ-OAHLLOKOSA-N 332.425 1.931 0 40 EDAB O=C(c1cocn1)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615152564 AMADCHZCICBRQR-QGZVFWFLSA-N 345.330 1.462 0 40 EDAB O=S1(=O)NC2(CCN(Cc3ccccn3)CC2)Nc2ccccc21 12142384 KMTNMHUQGIEESM-UHFFFAOYSA-N 344.440 1.778 0 40 EDAB COC(=O)c1cc(C2CC2)nc2c1c(C)nn2CC(=O)NC(C)C 12396321 PWBQQRVIJUSOEW-UHFFFAOYSA-N 330.388 1.928 0 40 EDAB Cc1nc(C)c(C(=O)N2CCC[C@@H](NC(=O)CN(C)C)CC2)s1 19749174 QGTLZXGSQSSBQE-CYBMUJFWSA-N 338.477 1.432 0 40 EDAB CNc1cc(CC2CCN(C(=O)c3cnn(C)c3)CC2)nc(C)n1 19757695 ZYBRJMUXEWJXHB-UHFFFAOYSA-N 328.420 1.655 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncc(Br)cn2)C1)C1CC1 1889065378 LNELGIVBIHURRS-LLVKDONJSA-N 325.210 1.734 0 40 EDAB CCN=c1ccnc(N2CCN(c3ncnc4c3CCCC4)CC2)[nH]1 1889096379 UPDPQSSNJBQYRJ-UHFFFAOYSA-N 339.447 1.326 0 40 EDAB Cc1nc(C)c(CN2CCC(NS(=O)(=O)C3CC3)CC2)s1 1849731153 QHEMRXXCZKTAOA-UHFFFAOYSA-N 329.491 1.806 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)NCCc2cccs2)C1=O 21732935 PCNJKHUIWGCMOP-MRXNPFEDSA-N 347.396 1.467 0 40 EDAB C[C@H]1C[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br 32382855 JVEQREPKTZFNIA-JGVFFNPUSA-N 347.234 1.482 0 40 EDAB Cc1noc([C@H]2CN(S(=O)(=O)N(C)C)C[C@@H]2c2ccccc2)n1 238861968 KWGQJWJCXQLWPJ-KGLIPLIRSA-N 336.417 1.367 0 40 EDAB CN1CCO[C@H]2CN(C(=O)c3ccnc(C(F)(F)F)c3)CC[C@@H]2C1 1565547914 SYERODXAIDWPEC-OLZOCXBDSA-N 343.349 1.893 0 40 EDAB CCc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC)CCN3C)cn1 2055812393 FUARGFFZZDYZHO-UHFFFAOYSA-N 344.459 1.413 0 40 EDAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)N1CCNC1=O 225583316 WSGFISJSMPHRPD-UHFFFAOYSA-N 328.376 1.161 0 40 EDAB COc1ccc(C)c2sc(N3CC(C(=O)N4CCOCC4)C3)nc12 2298215346 FROCPQDOIRPXFF-UHFFFAOYSA-N 347.440 1.908 0 40 EDAB CCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1Cc2ccccc2CN1 35349296 BRENJESGGXEZKW-DLBZAZTESA-N 331.460 1.758 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N(C)CCOc2ccccc2F)C[C@@H](C)O1 40039942 IPXLWTRICWNMOG-CHWSQXEVSA-N 346.424 1.490 0 40 EDAB O=C(NCCCN1CCOCC1)c1c(F)c(F)c(F)c(F)c1F 20160759 FEFRQEJDOQPWCI-UHFFFAOYSA-N 338.276 1.834 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CN(C)c1cnccn1)CC2 30879740 QCEHKNCGXUAPKF-UHFFFAOYSA-N 342.399 1.515 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CCN(c2cnccn2)CC1 31045188 OUDMPPJKAUOLHG-UHFFFAOYSA-N 341.371 1.237 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cn1ccccc1=O 40493903 BXUGDLSHVHUIBJ-CYBMUJFWSA-N 348.424 1.471 0 40 EDAB CCN1CCC[C@H]1CNC(=O)CCn1cnc2c(C)cccc2c1=O 40480823 QOENQZUKLSNGTM-HNNXBMFYSA-N 342.443 1.696 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3C[C@@H](C)O[C@H](C)C3)c(C)c12 40511998 ARKDQJYTYFLOOG-GHMZBOCLSA-N 346.431 1.447 0 40 EDAB Cc1noc(C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)n1 40556012 QXKNPVZDFVWLMF-UHFFFAOYSA-N 328.438 1.534 0 40 EDAB CN(C)C(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 40513740 JBEOAVIOMRLASP-UHFFFAOYSA-N 333.367 1.675 0 40 EDAB CCOC(=O)C(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 32074373 YXYONPVJGNWLKF-UHFFFAOYSA-N 343.383 1.026 0 40 EDAB Cc1cn(CC(=O)NCCC(=O)N2CCN(C)CC2)c2ccccc12 51468994 ALUHNCXHGDOZBC-UHFFFAOYSA-N 342.443 1.230 0 40 EDAB CC(C)OC(=O)C1=C(N)N2C(=O)CSC2=C(C(=O)OC(C)C)C1 201404 JGDHLABWPXUUAU-UHFFFAOYSA-N 340.401 1.251 0 40 EDAB CC(=O)N1CCN(C(=O)CCc2nnc(-c3ccc(C)cc3)o2)CC1 41208041 OPUJWEATIRNEOI-UHFFFAOYSA-N 342.399 1.668 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1 52854643 PAPVAJBMMILEEE-UHFFFAOYSA-N 326.462 1.163 0 40 EDAB O=C(CCn1c(=O)oc2ccccc21)N[C@H]1CCN2CCCC[C@@H]12 60567770 FMSYMBOZPCRKAZ-KBPBESRZSA-N 329.400 1.728 0 40 EDAB CCn1c(SCc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C 416330 XVZUDFDPHKBPOB-UHFFFAOYSA-N 331.401 1.141 0 40 EDAB COc1cc([C@H]2[C@@H]3[C@H](C)NC(=O)N(C)[C@H]3NC(=O)N2C)ccc1O 518986 MARUVGFEWOBMAJ-PWURMNTRSA-N 334.376 1.083 0 40 EDAB Cn1c(C(=O)N2COCC2(C)C)cc2c(=O)n3ccccc3nc21 2916998 NJUZTOKBEMMJLZ-UHFFFAOYSA-N 326.356 1.395 0 40 EDAB O=C(CN1CCn2c(nnc2-c2ccccc2)C1)NC[C@H]1CCCO1 76089946 OCFSVPDDAGOKQC-OAHLLOKOSA-N 341.415 1.056 0 40 EDAB CN(C)C(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1 527371 AIUGYWQSVRYOCZ-UHFFFAOYSA-N 330.410 1.317 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 518588 BSKHPQYOXPNHRS-OCCSQVGLSA-N 338.363 1.837 0 40 EDAB biogenic Cc1cc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)on1 53165893 AUVOJJDROQMLHQ-SJCJKPOMSA-N 346.387 1.367 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H](O)c2ccsc2)[nH]n1 78988212 QPZPIZBXWIPCSA-CQSZACIVSA-N 345.428 1.952 0 40 EDAB Cc1cc(N2CCC[C@H](NC(=O)c3cc(F)cc(F)c3)C2=O)n(C)n1 97009934 BJVPMHBKZHPVCN-AWEZNQCLSA-N 348.353 1.932 0 40 EDAB CN(C)CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O 3006271 ABUCCDFPIQCZEL-UHFFFAOYSA-N 348.834 1.632 0 40 EDAB O=C(Cc1ccccc1F)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 47635546 BAIGYIQHNRISLK-WBVHZDCISA-N 336.407 1.222 0 40 EDAB CN(C)/C=C/c1nnnn1-c1ccc(I)cc1 55120931 SGZNOQTWBIMLDO-BQYQJAHWSA-N 341.156 1.799 0 40 EDAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N1CCCC[C@H]1C 54114752 NRQLKAQFMCTRLL-LLVKDONJSA-N 343.431 1.779 0 40 EDAB CC(C)NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 23109762 WYDOUYLNGQKINF-HNNXBMFYSA-N 343.427 1.169 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)cc1 8291779 BXBLIJVBCMEFMX-UHFFFAOYSA-N 326.324 1.882 0 40 EDAB Cn1cncc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 108536526 MGADSNVINHDKGA-ZBFHGGJFSA-N 338.402 1.890 0 40 EDAB COc1cc(Br)c(CC(=O)N2CCOCC2)cc1OC 972573 YCMPJGDAMJYXBC-UHFFFAOYSA-N 344.205 1.868 0 40 EDAB Cc1nc(COc2ccccc2C(=O)N2CCC(C(N)=O)CC2)no1 23613990 QFIXKSGXLRDTNW-UHFFFAOYSA-N 344.371 1.295 0 40 EDAB CN(Cc1ccco1)C(=O)c1cc(OCC(=O)N2CCCC2)n(C)n1 57355288 SCMKFEWAWGFTMF-UHFFFAOYSA-N 346.387 1.287 0 40 EDAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1OC 102246357 PSAOHKALWYJJHB-UGQVUOCMSA-N 349.383 1.241 0 40 EDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCc1cccnc1 23874906 VUTKSEUIJUQXSW-GJZGRUSLSA-N 329.400 1.306 0 40 EDAB Cn1c(CSc2ncc(-c3ccc(F)cc3)[nH]2)cc(=O)n(C)c1=O 12538803 WASRWCPPVGIFKV-UHFFFAOYSA-N 346.387 1.906 0 40 EDAB CN(Cc1ccncc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 42933647 FPPOCPJHSVFNGR-UHFFFAOYSA-N 348.428 1.113 0 40 EDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC(C(N)=O)CC3)c12 24362516 HXYYYTCSPGKTNG-UHFFFAOYSA-N 341.415 1.492 0 40 EDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CCCC3)[C@H]4C2=O)no1 106021697 IFVLHOGIVFTUQH-LJGDNWOOSA-N 343.383 1.328 0 40 EDAB Cc1c(C(=O)NCC2(C(N)=O)CCOCC2)oc2ccc(F)cc12 47931047 MSHXSBPDUJHWCW-UHFFFAOYSA-N 334.347 1.892 0 40 EDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)CC3CC3)cc(C(C)C)nc21 47903363 VRGQUXMYIGINHJ-UHFFFAOYSA-N 344.415 1.710 0 40 EDAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1nc(CCOC)no1 72268676 MNYFYUYQSZBFPS-ZIAGYGMSSA-N 336.436 1.624 0 40 EDAB Cc1ccc(OC[C@H](O)CN2CCN(Cc3cc(C)no3)CC2)cc1 25303534 MLKJGDGUENDDKQ-QGZVFWFLSA-N 345.443 1.849 0 40 EDAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 57262180 XZZGKFOWVJDVRJ-SNVBAGLBSA-N 333.779 1.949 0 40 EDAB CCOc1ncccc1CNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 26814957 XZZWLNUZSMULDJ-UHFFFAOYSA-N 349.412 1.366 0 40 EDAB COC(=O)C[C@@H]1CN=C(Nc2nc(C)c3cccc(C)c3n2)NC1=O 22607736 GUUJVVNMHLIPNL-LLVKDONJSA-N 341.371 1.324 0 40 EDAB CCCN(C(=O)c1cnn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 12793898 VTBPOFYNQPAPNF-AWEZNQCLSA-N 348.428 1.307 0 40 EDAB O=C(c1ccnc(-n2ccnc2)c1)N1CCN(c2ccncc2)CC1 58048089 YQSFTJGSRVZBGS-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc3ncccn3n2)C1 10073163 JQXHADWYCKPOJZ-NSHDSACASA-N 349.416 1.018 0 40 EDAB CC(C)Cn1cnnc1[C@H]1CCCN1CCC(=O)N1CCOCC1 72291850 GJSIUSPNEFUYDN-OAHLLOKOSA-N 335.452 1.320 0 40 EDAB O=C(NCCOc1ccccc1)N1CCN(c2cnccn2)CC1 44895220 LJOFQPVUMISXSO-UHFFFAOYSA-N 327.388 1.387 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cccc(CN2CCCC2)c1 58283719 YOMKSZQSGQGZMB-HNNXBMFYSA-N 336.457 1.447 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)c1ccc(S(=O)(=O)NC)cc1 58245312 MKCCQWPKOJXOLS-ZDUSSCGKSA-N 326.418 1.236 0 40 EDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccc2c(c1)CCO2 44916338 VXBNJPRGKPTZNQ-IRXDYDNUSA-N 346.427 1.089 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(F)c(Cl)c2)C1 58344855 RZYPEOWNSNNTGY-NSHDSACASA-N 348.827 1.767 0 40 EDAB C[C@H](CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)N1CCc2ccccc21 36397802 ZPQBNRXCBDIPRP-UKRRQHHQSA-N 327.428 1.565 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(C)cc2)n1N 3450821 LIKQOMLVBMJLNT-SNVBAGLBSA-N 348.432 1.294 0 40 EDAB COc1ccccc1CNC(=O)CN(C)c1ncnc2[nH]cnc12 45978491 NSYONAGCAGJRCJ-UHFFFAOYSA-N 326.360 1.114 0 40 EDAB C[C@H]1CN(C(=O)CSc2nnnn2Cc2ccccc2)C[C@@H](C)O1 13115808 QBZBMDCXLUKQPA-BETUJISGSA-N 347.444 1.449 0 40 EDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 13128373 JWGHRNHPLMTHTO-PHIMTYICSA-N 342.417 1.452 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cc1 3886533 LHWUEWUYTCXHHH-DGCLKSJQSA-N 327.402 1.193 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)NC2(C(=O)O)CCCCC2)c1 13426195 CWOCATICRHBOTQ-UHFFFAOYSA-N 325.386 1.607 0 40 EDAB COC(=O)CN1C=C(OC(=O)C(C)C)c2ccccc2S1(=O)=O 13624699 RHLYBTRQIWLWRL-UHFFFAOYSA-N 339.369 1.362 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CCCNC2)cc1Br 71397510 UQXFANGVHVHQKI-SECBINFHSA-N 349.250 1.488 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N1CCN(c2ccc(O)cc2)CC1 65418860 ACMQRFXMOQDQAJ-AWEZNQCLSA-N 329.404 1.509 0 40 EDAB CN(C)CC(C)(C)CNC(=O)Cc1csc(-c2ncccn2)n1 65591227 AZKJAQCLDVOMKW-UHFFFAOYSA-N 333.461 1.847 0 40 EDAB CCO[C@@H](C)C(=O)N[C@H](CN1CCN(C)CC1)c1ccc(OC)cc1 65554161 FCRLORDCPDNRSU-MAUKXSAKSA-N 349.475 1.525 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1 14180904 RYQUJKPPTKTEFG-INIZCTEOSA-N 326.352 1.606 0 40 EDAB CCN(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(F)cc1 4511237 UUDVIIPWCISASW-ZDUSSCGKSA-N 344.408 1.132 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)C1 28575828 DBZOECXGIQSING-MGPQQGTHSA-N 329.404 1.934 0 40 EDAB CCNC(=O)CN1CCO[C@H](c2noc(-c3ccc(OC)cc3)n2)C1 96000291 LZJXGSMOPRRZCD-AWEZNQCLSA-N 346.387 1.255 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2nc(C)no2)c1C 66576998 SRYMTZHNNPIUHQ-VIFPVBQESA-N 339.373 1.513 0 40 EDAB Nc1cc(N)nc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)n1 6830482 DWXLVXGIMOMFBL-CQSZACIVSA-N 345.428 1.333 0 40 EDAB CCCc1cc(=O)[nH]c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)n1 15187155 WXDYDVSCUNZDEL-PHIMTYICSA-N 325.434 1.450 0 40 EDAB COC(=O)c1ccccc1NC(=O)CSc1ncnc2nc[nH]c12 7344102 VLASKOXBDJYJQO-UHFFFAOYSA-N 343.368 1.870 0 40 EDAB CCc1cccc(C)c1NC(=O)CCC(=O)N1CCN(C(C)=O)CC1 7667015 FJSNNBZQFACMCA-UHFFFAOYSA-N 345.443 1.967 0 40 EDAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N1CCOC1=O 7825925 ATOZQXLODBPMEA-UHFFFAOYSA-N 345.384 1.746 0 40 EDAB C[C@H]1CN(CCNS(=O)(=O)Cc2cccc(F)c2)C[C@H](C)O1 68875890 FNZCTKCYTIFYHB-STQMWFEESA-N 330.425 1.354 0 40 EDAB CNC(=O)NC(=O)[C@@H](Sc1nnnn1C1CC1)c1ccccc1 8071139 KWFREMVBOVTQTM-NSHDSACASA-N 332.389 1.297 0 40 EDAB Cc1nccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1 96429087 HMZQMMALYMVQEG-RIYZIHGNSA-N 344.440 1.908 0 40 EDAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)[C@H]1COCCO1 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CCO[C@@H]1C[C@H](NC(=O)NCc2nnc3ccccn23)C12CCC2 73501226 VIIPEWIKFXLYNA-QWHCGFSZSA-N 329.404 1.876 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)N2CCCN(C)CC2)CC1=O 95947600 XJLKORZFHSTFLK-MRXNPFEDSA-N 329.444 1.766 0 40 EDAB Cc1c(C(=O)NC2(C)CCCC2)cnn1[C@H]1CCS(=O)(=O)C1 95955541 RTUDZBJOOXAGKZ-LBPRGKRZSA-N 325.434 1.614 0 40 EDAB CCC[C@@H](NC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2)C(=O)O 95991864 COUJCYHUVZGCAS-BTDICHCPSA-N 335.356 1.849 0 40 EDAB C[C@H](C(=O)O)[C@@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1ccccc1 89598527 WUQYUCGIAHJKKC-XGWLTEMNSA-N 344.411 1.823 0 40 EDAB Cn1ncc(NC[C@H](O)Cc2ccccc2)c(Br)c1=O 75137737 ZIKDTBCTJNTJPA-LLVKDONJSA-N 338.205 1.558 0 40 EDAB CC1(C)CN(S(=O)(=O)c2c[nH]c3ncccc23)CC[S@]1=O 89919669 WLPMUCWEXNCJAD-FQEVSTJZSA-N 327.431 1.095 0 40 EDAB COc1cccc(CC(=O)N2CCN(CCC(=O)NC3CC3)CC2)c1 75572838 RQAJCSSRTPYQRY-UHFFFAOYSA-N 345.443 1.051 0 40 EDAB COCCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 4247355 VAHAELNRTLLORI-UHFFFAOYSA-N 326.422 1.208 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C=O)cc2)cc1 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EDAB O=C([C@@H]1CCCO1)N1CCc2ncnc(Oc3cccnc3)c2CC1 96255666 UVQDIOHXWXMULM-INIZCTEOSA-N 340.383 1.770 0 40 EDAB CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)Oc1cccc(Br)c1 96431862 UCRDDPWTMUABAC-ZJUUUORDSA-N 343.221 1.857 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2nccs2)Cc2ccnn2C1 96189064 NWSXQHYGFMJEHG-ZDUSSCGKSA-N 349.460 1.076 0 40 EDAB O=C(c1cccs1)N1Cc2nccn2C[C@H](Cn2cncn2)C1 96188642 WYWCTYSOIHRNRW-LBPRGKRZSA-N 328.401 1.509 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C2 97199020 BAGONIRYVQKGBH-SNVBAGLBSA-N 327.310 1.538 0 40 EDAB COc1cc(=O)n(CC(=O)N2CCCCC2)nc1-c1ccccc1 96184170 ZNPSTIKKEFDCGM-UHFFFAOYSA-N 327.384 1.931 0 40 EDAB CCCS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COCCN(C)C)C1 96039568 FTYKWMFKAYQFIB-HZPDHXFCSA-N 348.509 1.176 0 40 EDAB CNS(=O)(=O)Nc1ccc(NC(=O)C(F)(F)C(F)F)cc1 585087503 YTFDZHCJQZCYHT-UHFFFAOYSA-N 329.275 1.402 0 40 EDAB C[C@H](Cc1ccc(F)cc1)NC(=O)NCC1CCS(=O)(=O)CC1 95440233 OTNXGLOPNQTCGU-GFCCVEGCSA-N 342.436 1.881 0 40 EDAB CCN1CCN(c2ccc(C(=O)NC[C@H](O)c3ccco3)cc2)CC1 96436074 YXUKIMQAHPPNAZ-KRWDZBQOSA-N 343.427 1.885 0 40 EDAB O=C([C@H]1CCCO1)N1CC[C@]2(c3ccccc3)CN(CCO)C[C@H]2C1 96083363 HVFBFULGUBJFTC-NLWGTHIKSA-N 344.455 1.260 0 40 EDAB Cc1nc(Cl)cc(N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)n1 585132609 FNQAGJVENXXLEP-LBPRGKRZSA-N 344.868 1.138 0 40 EDAB Cc1occc1C(=O)N1NC(=O)C[C@]12CCN(C(=O)OC(C)(C)C)C2 585126720 GSRKDENIPJCADY-KRWDZBQOSA-N 349.387 1.845 0 40 EDAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C)[C@H](C(C)(C)C)C1 585139333 FQDAWTVGWJULJF-NSHDSACASA-N 348.900 1.733 0 40 EDAB Cc1cc(CN2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)no1 247894545 GZUWBBMDWLYDMA-INIZCTEOSA-N 329.404 1.749 0 40 EDAB O=C(c1ccccn1)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247829066 KFDDTHNNEJVIHW-CQSZACIVSA-N 339.399 1.605 0 40 EDAB COc1ccc(CN(C)[C@@H]2CN(C(=O)c3cscn3)C[C@H]2O)cc1 257322724 WHCIFBDLZPIOMI-HZPDHXFCSA-N 347.440 1.469 0 40 EDAB Cc1ccnc([C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257230403 GCEBUKQXCXRXEY-HNNXBMFYSA-N 331.347 1.903 0 40 EDAB COc1ccc([C@@H]2CNCCN2C(=O)CCc2ccnn2C)cc1 257290040 QBHOETKEBNKVPL-KRWDZBQOSA-N 328.416 1.534 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)ccn1 257315923 VDGRWDKUPRQLIN-OAHLLOKOSA-N 341.371 1.352 0 40 EDAB CNCC(=O)N1CCC(c2ccnc(Nc3ccc(C)cn3)n2)CC1 257257025 KNUXEUTUMCGLLZ-UHFFFAOYSA-N 340.431 1.849 0 40 EDAB C[C@H](CCS(C)(=O)=O)NC(=O)N1CCC2(CCOCC2)CC1 252498653 RHGPEYKNFUPYQW-CYBMUJFWSA-N 332.466 1.412 0 40 EDAB CCNC(=O)N(C)c1cccc(NS(=O)(=O)C[C@@H](C)OC)c1 252487996 IGQNJRGXSVLWMT-LLVKDONJSA-N 329.422 1.629 0 40 EDAB CC(C)C(=O)N[C@H]1CCN(Cc2ccccc2C(=O)O)CC[C@@H]1O 257320544 VXHLBUGIBRLDAU-HOTGVXAUSA-N 334.416 1.482 0 40 EDAB O=S(=O)(NCCNc1ccc(-n2cccc2)nn1)c1cccs1 85472084 IQPWVXGVFAURLS-UHFFFAOYSA-N 349.441 1.719 0 40 EDAB CCN1CCO[C@@H](CNS(=O)(=O)N(C)CC)[C@@H]1c1ccccc1 284713425 KWFMSZMZMOIIPW-HOTGVXAUSA-N 341.477 1.235 0 40 EDAB CC(C)CCNS(=O)(=O)c1cccc(NCC(C)(C)C(N)=O)n1 1615051012 TVJVYCZKVYBLAT-UHFFFAOYSA-N 342.465 1.329 0 40 EDAB CCOc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCn3ncnc3C1)CCO2 1615550185 QOPIQJFAAGFXIK-IUODEOHRSA-N 342.399 1.879 0 40 EDAB C[C@H]1CCC[C@]1(NS(=O)(=O)c1ccc(C(=O)O)cc1)C(=O)O 1615588033 NLQSKWGUPQDBIZ-LKFCYVNXSA-N 327.358 1.307 0 40 EDAB COc1ccc([C@H]2CN(C(=O)NCc3ccon3)CCO2)cc1OC 1615615131 OYHIQVAWDSWYKP-MRXNPFEDSA-N 347.371 1.975 0 40 EDAB O=S(=O)(c1ccc(Cl)cc1F)N1CC(N[C@H]2CCOC2)C1 1616038878 WIXVHPRDVIAXTH-JTQLQIEISA-N 334.800 1.231 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCO[C@@H](c2ccccc2)C1 96025658 QTTWJCUPXAMBBU-OAHLLOKOSA-N 335.429 1.799 0 40 EDAB O=C(COc1ccccc1F)NCCN1C(=O)c2cccnc2C1=O 390831023 PDERSZAZQIYLGT-UHFFFAOYSA-N 343.314 1.012 0 40 EDAB CCOCC(=O)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 575404064 PPCHCIOPDRIQSY-CQSZACIVSA-N 329.462 1.553 0 40 EDAB Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3CC2CC2)c(C(F)F)n1 585107644 FUQKHAWSMOFJOM-NEPJUHHUSA-N 338.358 1.583 0 40 EDAB CCn1nccc1-c1cncc(CC2CCN(S(C)(=O)=O)CC2)n1 585180194 HWEUBCDBGOPISR-UHFFFAOYSA-N 349.460 1.574 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@@H]1OC 585276624 BSMLESQNBCSUHA-HOCLYGCPSA-N 327.384 1.458 0 40 EDAB CCOc1ccc(CN2C[C@@H](CC(=O)NC)[C@@H](OC)C2)cc1CO 585279211 VGKAIORUUDRWTJ-PBHICJAKSA-N 336.432 1.161 0 40 EDAB COC(=O)c1ccc(CNc2ccccc2CS(C)(=O)=O)n1C 585140037 XDFPBXHCXXJUNV-UHFFFAOYSA-N 336.413 1.968 0 40 EDAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)C2CCC2)Cc2cncn21 585095971 HRTYFXRMYPUIMA-INIZCTEOSA-N 346.431 1.109 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(C[C@@H]2CCOC2)CC1 47717435 UXHCWVAYFZZEMP-YOEHRIQHSA-N 332.400 1.007 0 40 EDAB COc1ccccc1S(=O)(=O)NCC1(N2CCOCC2)CCC1 1776009255 WVDFYQOYQWQJJQ-UHFFFAOYSA-N 340.445 1.228 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCN(c2nncc3ccccc23)CC1 73102077 UYRCHIDCGNDEHW-UHFFFAOYSA-N 336.399 1.634 0 40 EDAB O=C(N1CC(OC[C@@H]2CCOC2)C1)C1(c2ccccc2)CCOCC1 1565522716 XRIPAJQQVVXFHE-MRXNPFEDSA-N 345.439 1.999 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)C1 78235991 YGNUVEIGSPEOPB-VIFPVBQESA-N 331.825 1.828 0 40 EDAB CCn1ccnc(N2CCC(CCN3C[C@H](C)O[C@H](C)C3)CC2)c1=O 91013889 DKXJUXYKSFHAGP-IYBDPMFKSA-N 348.491 1.979 0 40 EDAB CC[C@@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(OC)cc1 585163274 YVNCKLHDKGPRGM-LLVKDONJSA-N 343.387 1.327 0 40 EDAB COC(=O)CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 3014889 SEKFNZPNAMJFCI-VBKFSLOCSA-N 338.363 1.747 0 40 EDAB O=[S@](C[S@](=O)c1nc(Cl)ns1)c1nc(Cl)ns1 15441954 NTNQYVJUWNNKKP-CALCHBBNSA-N 349.271 1.569 0 40 EDAB COCC(=O)NC1CCN(c2nc(-c3cccnc3)cs2)CC1 206985773 NRYNUUIJLCNBCG-UHFFFAOYSA-N 332.429 1.937 0 40 EDAB CCN1C(=O)NC2(CCN(CC(=O)Nc3ccccc3F)CC2)C1=O 9660765 RKYNJYYPAWLFKX-UHFFFAOYSA-N 348.378 1.171 0 40 EDAB CCNC(=O)[C@@H](C)Oc1cc(C(=O)OCC)cc(C(=O)OCC)c1 7150757 RTZZMDXTTBJZQZ-LLVKDONJSA-N 337.372 1.943 0 40 EDAB Cc1cc(C)nc(Nc2cnc([C@H]3CCCN(CC(=O)O)C3)cn2)n1 1848355178 QXBGIWYHWHNYHW-ZDUSSCGKSA-N 342.403 1.891 0 40 EDAB COc1ccccc1C(=O)N1CC[C@]2(COCC(=O)N(C(C)C)C2)C1 2037985763 VKSRPKXPYOBYRJ-IBGZPJMESA-N 346.427 1.795 0 40 EDAB Cc1nc(C)c(CN2CCO[C@@]3(CO[C@@H](C(=O)N(C)C)C3)C2)s1 1565541774 XGFYRQHSDSYPAU-CZUORRHYSA-N 339.461 1.208 0 40 EDAB O=C(CCc1ccc[nH]1)N[C@H]1COCc2c1cnn2C1CCOCC1 1565555511 JGPVMWUSMXZNEA-INIZCTEOSA-N 344.415 1.883 0 40 EDAB COc1cc(C(=O)N2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)on1 1565543497 ZKKSZDHQHGPEBQ-INWMFGNUSA-N 345.355 1.529 0 40 EDAB Cc1nnsc1C(=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 217979804 JZYRQZPIDDDGAY-NSHDSACASA-N 346.368 1.296 0 40 EDAB Cn1ccc2ccn(CCNC(=O)Cc3ccc(F)cc3F)c(=O)c21 575414598 CLLUNNVGJZNPCP-UHFFFAOYSA-N 345.349 1.977 0 40 EDAB COCCNC(=O)CCC(=O)N1CCc2[nH]c3ccccc3c2C1 20761834 AATUBAUXDJNATK-UHFFFAOYSA-N 329.400 1.595 0 40 EDAB biogenic COc1cccc(CNC2CCN(S(C)(=O)=O)CC2)c1OC 30656162 ULANHIZDOTYANU-UHFFFAOYSA-N 328.434 1.217 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCSC1=O 40466525 YQDBRNDUYMQTAF-LBPRGKRZSA-N 336.413 1.844 0 40 EDAB CCOc1ccccc1OCC(=O)N[C@]1(C)CCS(=O)(=O)C1 40456874 QLNNJVVDXMGOMM-OAHLLOKOSA-N 327.402 1.158 0 40 EDAB CCN1CCN(CCNc2ccc3nnc(C(F)(F)F)n3n2)CC1 31784527 KLFHVDGPAGQZRI-UHFFFAOYSA-N 343.357 1.193 0 40 EDAB COCC(=O)N1CCN(Cc2nc(-c3ccc(C)c(F)c3)no2)CC1 40540685 PZONJUHPXTWDIN-UHFFFAOYSA-N 348.378 1.475 0 40 EDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 40508518 HKPOJFQJLLXLGU-TZMCWYRMSA-N 327.388 1.265 0 40 EDAB O=C(Cc1ccc(-n2cccn2)cc1)NCC(=O)N1CCCCC1 40534122 VTMCZHZJAIGCAV-UHFFFAOYSA-N 326.400 1.544 0 40 EDAB O=C(/C=C/c1ccco1)N1CCN(S(=O)(=O)c2cccnc2)CC1 31998391 HGECUSTZMKOLMY-AATRIKPKSA-N 347.396 1.221 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@H](c2coc3ccccc3c2=O)S1 201272 WNDWDUPGURANPV-AWEZNQCLSA-N 331.353 1.794 0 40 EDAB O=C(CN1CCOCC1)N1CCN(c2ccc3ccccc3n2)CC1 331385 OHCQHPLWIWKYDG-UHFFFAOYSA-N 340.427 1.216 0 40 EDAB C[C@@H](NC(=O)CCN1C(=O)CCC1=O)c1ccc(-n2ccnc2)cc1 32747949 IWMCGKSYJBRWIM-CYBMUJFWSA-N 340.383 1.589 0 40 EDAB O=c1n(CCSc2nnc(-c3ccncc3)o2)nc2ccccn12 32815451 RELAITPNRRVREP-UHFFFAOYSA-N 340.368 1.733 0 40 EDAB CC1CCN(S(=O)(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)CC1 32825768 ZMQFALDTVDTWFI-KKUMJFAQSA-N 333.498 1.050 0 40 EDAB COc1cc2c(cc1OC)-c1cc(OCCN(C)C)nc(=O)n1CC2 490931 MQBDGMCVQNVRFT-UHFFFAOYSA-N 345.399 1.424 0 40 EDAB biogenic O=C(Cc1cn2ccccc2n1)NCc1ccc(-n2ccnc2)nc1 33044414 BNNAJDFNAAPOBY-UHFFFAOYSA-N 332.367 1.774 0 40 EDAB O=C(COC1CCCC1)N1CCN(C[C@H](O)c2ccccc2)CC1 69969209 GWKMACMXCSLKAT-SFHVURJKSA-N 332.444 1.823 0 40 EDAB CCOC(=O)c1nnn(CC(=O)Nc2ccccc2)c1C(=O)OCC 428824 WOJQYVDJMNZBSC-UHFFFAOYSA-N 346.343 1.270 0 40 EDAB CC(C)Nc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1 813625 MISLQWFHOYXZAS-UHFFFAOYSA-N 333.396 1.788 0 40 EDAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)CN3CCOCC3)[nH]n2)cc1 46889950 AOFFFGFOIPRUAE-AWEZNQCLSA-N 328.416 1.836 0 40 EDAB CC(=O)Nc1cccc(OCCNC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 78446754 WFGWIGXQDJLXPT-LRDDRELGSA-N 335.404 1.891 0 40 EDAB CN(C(=O)Cn1ccc(=O)[nH]c1=O)C1c2ccccc2-c2ccccc21 78992609 REXIPGQNYLDSHM-UHFFFAOYSA-N 347.374 1.765 0 40 EDAB CCn1c(=O)[nH]c2cc(C(=O)O[C@H]3CCC[C@H]3OC)ccc2c1=O 78985804 CYAYJEIKHIZENI-KGLIPLIRSA-N 332.356 1.434 0 40 EDAB Cc1noc(C)c1CNC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 79751472 SHEOOKQCEWRTSG-LLVKDONJSA-N 326.360 1.822 0 40 EDAB O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)C3CCC3)CO[C@H]12 4222805 XQEWSTYGOMFGRX-ZJIFWQFVSA-N 346.383 1.686 0 40 EDAB biogenic,in-vitro COC(=O)CCCCNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 103845798 KHTYEMXBIHFDRS-UHFFFAOYSA-N 349.412 1.295 0 40 EDAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCN(c2ccccn2)CC1 6699505 KCGOCEMXIFSLLQ-CLWVCHIJSA-N 329.400 1.477 0 40 EDAB CCc1cccc(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)c1 23287613 SXUSZUNSACPJLR-UHFFFAOYSA-N 344.459 1.084 0 40 EDAB COc1ccccc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1 47214981 CLTORUMJDLJYGN-UHFFFAOYSA-N 341.410 1.900 0 40 EDAB CCOc1ccc(Cl)cc1NCC(=O)NCC(=O)N1CCCC1 50784039 YSNBEGVAZFKUGZ-UHFFFAOYSA-N 339.823 1.889 0 40 EDAB CCOC(=O)C1=NO[C@H](Cc2cc(OC)c3c(c2OC)OCO3)C1 12412843 BHBCXOMVVGUZPE-SNVBAGLBSA-N 337.328 1.683 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCN(c3nccs3)CC2)o1 54621544 OFBVGCWIYOPLPM-UHFFFAOYSA-N 334.445 1.825 0 40 EDAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 50079708 VSLFFULIBGDIJS-UHFFFAOYSA-N 329.444 1.621 0 40 EDAB CCOC(=O)c1ccc(Sc2nnnn2C[C@@H]2CCCO2)nc1 24055047 UJSJHKXMOPEPSN-NSHDSACASA-N 335.389 1.575 0 40 EDAB COc1cccc(OC[C@@H](O)CN2CCN(c3ncccn3)CC2)c1 25229617 DIRFRJKLQBYCDQ-HNNXBMFYSA-N 344.415 1.047 0 40 EDAB CCN1C[C@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)Oc2ccccc21 106926360 QTHLSQWHOHXORZ-STQMWFEESA-N 340.445 1.165 0 40 EDAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 108391291 CYFWBZUUDDIQFH-ZLIFDBKOSA-N 329.375 1.783 0 40 EDAB CCCCN(C)S(=O)(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 26867494 NNSXXEZVPJXNPX-LLVKDONJSA-N 341.433 1.645 0 40 EDAB CC(=O)N1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 44890010 OJUQTRKYIQYXHT-UHFFFAOYSA-N 326.400 1.496 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@@H]3CCc4ccccc43)CCO2)n1 83829812 MRXBQABLAQNFQN-HUUCEWRRSA-N 326.400 1.997 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1 44967193 FJTDHQCJOAXAAY-CABCVRRESA-N 341.415 1.477 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@H](NS(C)(=O)=O)C1 58356936 ZRWAXCZWJNWSAX-ZDUSSCGKSA-N 349.456 1.673 0 40 EDAB Cc1cc(NC(=O)N2CCC(NC(=O)c3cccnc3)CC2)no1 58354670 FJRVPNQHVQLMRX-UHFFFAOYSA-N 329.360 1.804 0 40 EDAB Cc1cc2n(n1)C[C@H](CNCc1ccc(Cn3cncn3)cc1)CN2 58342000 PZRRBBRXLZRSDY-QGZVFWFLSA-N 337.431 1.663 0 40 EDAB COC[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)CCCC(C)C)C1=O 58419897 SXMCIYZYPPYLST-WBMJQRKESA-N 327.425 1.274 0 40 EDAB O=C(Cn1cnnn1)NCCCc1ccc(Br)cc1F 71909354 UUUVGWOXUXYJOK-UHFFFAOYSA-N 342.172 1.324 0 40 EDAB NC(=O)[C@@H](OC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 10751179 AQUNEDYEUYBIPW-INIZCTEOSA-N 340.335 1.754 0 40 EDAB C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC(N)=O 3324152 MLILLJZCMYIJKV-SECBINFHSA-N 345.311 1.272 0 40 EDAB O=C1CC[C@@H](C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)N1 11145037 PLCUDEDWPFRDSD-ZDUSSCGKSA-N 327.340 1.427 0 40 EDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1OC 45896073 CEYXMJUDCBFXBL-AWEZNQCLSA-N 345.359 1.160 0 40 EDAB CCNC(=O)NC[C@@H]1CC[C@@]2(COCCN(Cc3cccnc3)C2)O1 306132643 LOHMUXXZTJGBMA-FUHWJXTLSA-N 348.447 1.151 0 40 EDAB CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408550518 DBXHMLKNPBNKDE-CYBMUJFWSA-N 342.461 1.977 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2ccc(C=O)cc2)NC(=O)N[C@H]1C 12822445 QRNCMFGYDVGVBN-JTQLQIEISA-N 346.339 1.174 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c1 71796556 YVUNUDDUSHVKOQ-CQSZACIVSA-N 348.428 1.269 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(C2CCCCC2)n1N 2641207 JQGFYEHZLFKTNI-SECBINFHSA-N 340.453 1.366 0 40 EDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCc1ccccc1 3439731 TZOUCBOPZIKMCN-UHFFFAOYSA-N 329.356 1.036 0 40 EDAB CC(C)N(C(=O)CN1CCc2cc(S(N)(=O)=O)ccc21)C(C)C 8726218 KEQXBAKVYHERSQ-UHFFFAOYSA-N 339.461 1.342 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)NC[C@@H](C)CN2CCOCC2)c1 96437200 HVXASDSDUXGVQP-MRXNPFEDSA-N 342.443 1.879 0 40 EDAB O=C(COc1ccc2ccc(=O)oc2c1)NCCCN1CCCC1=O 5272523 AQIYJWBJELGVRK-UHFFFAOYSA-N 344.367 1.301 0 40 EDAB biogenic C[C@@H]1CN(CCNC(=O)c2cnc(-c3ccccc3)nc2)C[C@@H](C)O1 65402494 WQBMCTCWLPSHIX-HUUCEWRRSA-N 340.427 1.983 0 40 EDAB C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1Cl 14047963 RCQGZMLFZWQSDU-JTQLQIEISA-N 345.790 1.661 0 40 EDAB c1cc(CN2CCSCC2)cc(Nc2ccc3nnnn3n2)c1 65575656 DWNTXJOVAYNRFZ-UHFFFAOYSA-N 327.417 1.812 0 40 EDAB Cc1c(C(=O)NCCc2n[nH]c(=S)n2C)oc2c1C(=O)CCC2 65519125 XIVNEHXKMLUYJL-UHFFFAOYSA-N 334.401 1.871 0 40 EDAB COC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]21 6498209 PRQQFNDOCVAYKE-WCABBAIRSA-N 349.389 1.751 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCc2cccc(F)c2)cc1 14111877 TXIOHUFCDUDRLR-UHFFFAOYSA-N 336.388 1.706 0 40 EDAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O 4513973 MQNCJXDKMNXNKV-PIGZYNQJSA-N 335.379 1.898 0 40 EDAB CC[C@H](C)NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 5427419 ZWWZIGAJLJPPKA-WFASDCNBSA-N 329.400 1.680 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)C[C@@H](O)C1CC1 96009993 GBLHQECRGXGUIY-CQSZACIVSA-N 329.466 1.547 0 40 EDAB COc1cccc(Cl)c1CN1CCN(c2cnn(C)c2)C(=O)C1 93530368 LGOQRPHKEMHDGA-UHFFFAOYSA-N 334.807 1.931 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 71881870 WWRFEUOPXYVXOE-HNNXBMFYSA-N 340.851 1.804 0 40 EDAB CN1CCC(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 71857164 AMHFRNLBYSYCBD-INIZCTEOSA-N 330.432 1.181 0 40 EDAB COc1ccccc1[C@H]1CCCN1C(=O)CN(C)S(C)(=O)=O 68807898 JIPPHDXBSYDTQA-CYBMUJFWSA-N 326.418 1.250 0 40 EDAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccco1 8284904 SZUYQQRAAPCZCM-UHFFFAOYSA-N 343.383 1.827 0 40 EDAB COc1ccc2c(C)c(CCC(=O)Nc3nc[nH]n3)c(=O)oc2c1 17057568 JDZKMPHFILITDF-UHFFFAOYSA-N 328.328 1.799 0 40 EDAB COC(=O)CCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 69417240 VTRVLOQNNMXBFI-UHFFFAOYSA-N 331.372 1.738 0 40 EDAB COC(=O)c1cc(C(=O)NC2=NCCS2)n(-c2ccccc2)n1 69489864 FJPWHGAFSJYXQB-UHFFFAOYSA-N 330.369 1.492 0 40 EDAB COC(=O)N[C@H](C(=O)NCc1cccc(N2CCOC2=O)c1)C(C)C 71888978 AAGMKJZJWXHRHK-AWEZNQCLSA-N 349.387 1.640 0 40 EDAB CC[C@H](C)[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)O 8429623 HPMSWSDDQIJUMQ-LRDDRELGSA-N 343.383 1.521 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cn(-c2ccccc2Cl)nn1 69519787 MQKMQKBTTFUKCA-WDEREUQCSA-N 347.806 1.647 0 40 EDAB CCn1nc(C)c(C(=O)NS(=O)(=O)c2ccc(F)cc2F)c1C 69567769 FDCZKLKGMURCPF-UHFFFAOYSA-N 343.355 1.917 0 40 EDAB CCc1nnc2n1C[C@H](CNCc1nc(-c3ccccn3)no1)CC2 69626471 ADIHCKMMSNOICX-LBPRGKRZSA-N 339.403 1.638 0 40 EDAB CCN(CCCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)OC(C)(C)C 69627076 XJAAMXPYCADIMX-GFCCVEGCSA-N 327.425 1.228 0 40 EDAB CC(C)N(C(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1)C(C)C 69653436 XXDSWPBEOGXQHG-IBGZPJMESA-N 347.503 1.983 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)CCc3ccncc3)CC2)n1 69652168 HUOVJFKUXVMSNP-UHFFFAOYSA-N 341.415 1.470 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)c3cc(C)on3)CC2)n1 69741190 DLMLQZPDZALDJP-UHFFFAOYSA-N 331.376 1.443 0 40 EDAB COc1ccc(CC(=O)N2CCC[C@H](n3cncn3)C2)cc1OC 71847096 QVHYTLMUMVURPN-AWEZNQCLSA-N 330.388 1.702 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)Cn1nc(-c2ccco2)ccc1=O 72404405 WFAYKBZMPGRMKT-UHFFFAOYSA-N 341.371 1.170 0 40 EDAB COCCOc1ccccc1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 83911885 WJDHKXWYAATGHV-IAGOWNOFSA-N 348.443 1.383 0 40 EDAB Cc1ccc2nc(C)c(C(=O)OCC(=O)N3CCNC3=O)cc2c1 9752302 ZHSNROMEPLBTBB-UHFFFAOYSA-N 327.340 1.560 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)Cn2cnc3cnccc3c2=O)c1 97080183 HRXODSQWPGSDJU-CQSZACIVSA-N 325.368 1.848 0 40 EDAB Cn1c(CO)cnc1S(=O)(=O)Cc1ncc(-c2cccs2)o1 97035096 QUCRPFHDOYTHDI-UHFFFAOYSA-N 339.398 1.603 0 40 EDAB Cc1ccc(-n2[nH]c(C(=O)N[C@H](CO)c3ccccc3)cc2=O)cc1 97047543 UGHSNMGUGVVGLN-QGZVFWFLSA-N 337.379 1.937 0 40 EDAB CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](n2cncn2)C1)c1cccs1 72272240 JIIREQSCXPOJLN-KGLIPLIRSA-N 347.444 1.771 0 40 EDAB CC1CCC(NC(=O)CNc2ccc(CC(=O)NCCO)cc2)CC1 72296261 NMKKWRZMBFIGKO-UHFFFAOYSA-N 347.459 1.444 0 40 EDAB CC(C)(CO)N1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1 72289468 DWYIAISMKVSGKV-UHFFFAOYSA-N 343.830 1.806 0 40 EDAB O=C(CN1C(=O)CCc2ccccc21)N1CCC[C@@H](n2cncn2)C1 72277492 JYNGYLMJVDJTFC-OAHLLOKOSA-N 339.399 1.421 0 40 EDAB CCCCn1nnnc1CN1CCC[C@H]1[C@@H]1CCCN1C(=O)CC 72268587 RTWSSLWANZGCAZ-GJZGRUSLSA-N 334.468 1.839 0 40 EDAB O=C(CCCn1c(=O)oc2ccccc21)N[C@@H]1CCc2nccn2C1 97197482 SWGWHGFVYJBNIB-CYBMUJFWSA-N 340.383 1.702 0 40 EDAB CN(CC(C)(C)O)S(=O)(=O)c1ccc(Br)cc1F 97163095 PFADLEZCRULONS-UHFFFAOYSA-N 340.214 1.980 0 40 EDAB CCCS(=O)(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 95399842 XSFRLANCTPSTGU-KRWDZBQOSA-N 340.489 1.761 0 40 EDAB CN(C(=O)CCc1nc(-c2ccccn2)no1)[C@@H](CO)C(C)(C)C 95444648 XSSSCRGZXQCUDJ-ZDUSSCGKSA-N 332.404 1.930 0 40 EDAB C[C@H](C(=O)NCC1([C@@H](O)c2ccccc2)CC1)N1CCN(C)CC1 95434568 JOUYLGMJPSREAF-WBVHZDCISA-N 331.460 1.252 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)CCN1CCCC1 95410335 DQISEIFLDUBSHD-KBPBESRZSA-N 334.468 1.849 0 40 EDAB CN(C)C1(C(=O)N2CCN(c3ncnc4ccsc34)CC2)CCC1 95418257 UWBMSXHVSIFKCQ-UHFFFAOYSA-N 345.472 1.824 0 40 EDAB Cc1ccccc1C(=O)NCC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 95992898 IXANNFMRQJMGHF-HOTGVXAUSA-N 332.444 1.980 0 40 EDAB CO[C@H](CNC(=O)N1CCN(Cc2cscn2)CC1)C(C)C 74938239 HDLKCNLNXUIXDW-CQSZACIVSA-N 326.466 1.641 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)Cc2cn3ccsc3n2)c2ccccc21 89463941 VKXWZZOUCWFCEN-ZDUSSCGKSA-N 340.408 1.944 0 40 EDAB Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3n[nH]c(=O)[nH]3)cc2)n1 75093006 FRPXLSBBEPVKMR-LLVKDONJSA-N 326.360 1.392 0 40 EDAB Cc1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)c(=O)[nH]1 75118645 PJWRTYIKDFCAAW-UHFFFAOYSA-N 339.395 1.736 0 40 EDAB O=C1NC[C@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)N1 89782983 PPVYZNYHHDRAHU-CQSZACIVSA-N 331.322 1.852 0 40 EDAB COc1cccc([C@H](CNC(=O)N[C@H](C)c2nncn2C)N(C)C)c1 89913948 WLESATBQBGPFHR-DOMZBBRYSA-N 346.435 1.487 0 40 EDAB NC(=O)c1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1 21524050 CBPOJQQBGVBBQS-UHFFFAOYSA-N 326.312 2.000 0 40 EDAB CN1CCN(C(=O)c2ccc3nn[nH]c3n2)C[C@@H]1Cc1ccccc1 516959090 RLANUHBKRWBBLI-AWEZNQCLSA-N 336.399 1.352 0 40 EDAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@@H]1C2 306130744 JOHILYODECFVKI-RYUDHWBXSA-N 327.388 1.068 0 40 EDAB Cc1cc(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)c(F)cc1F 527561031 VNBUOEKGWGENRN-BFVZDQMLSA-N 336.342 1.676 0 40 EDAB C[C@H]1Cc2cc([C@H](O)CN3CCN(c4ncccn4)CC3)ccc2O1 36741405 ORARILZAFONWNR-WMLDXEAASA-N 340.427 1.656 0 40 EDAB CNC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N2Cc2ccco2)cc1 72239568 XGXZONZCZXHOQL-OAHLLOKOSA-N 341.367 1.769 0 40 EDAB CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cc(Cl)ccc2O)O1 180321144 OSCQYVCYONOHNG-ZWNOBZJWSA-N 326.780 1.411 0 40 EDAB CC[C@H](CO)N(C(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 217371774 ZLIYXNTWWXQDLL-ZIAGYGMSSA-N 345.848 1.740 0 40 EDAB COc1cccc(NC(=O)CCc2nnc3ccc(OC)nn23)c1 71284300 WDSUEGXQKCGZLJ-UHFFFAOYSA-N 327.344 1.713 0 40 EDAB COC(=O)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)C(=O)O 77273473 ZDUJFXRKOOZITB-RKDXNWHRSA-N 332.349 1.160 0 40 EDAB in-vitro COc1ccc(CCC(=O)Nc2cc(N3CCOCC3)ncn2)cc1 75166240 XWIAHVAGUQNLGL-UHFFFAOYSA-N 342.399 1.893 0 40 EDAB O[C@@H]1CCCC[C@@H]1N1CCN(c2nccc(C(F)(F)F)n2)CC1 89893133 MYNUBCWMECIGTJ-NWDGAFQWSA-N 330.354 1.921 0 40 EDAB CCOC[C@H]1CCCN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)C1 70926500 IDVADRIJIACUJH-ZENOOKHLSA-N 326.462 1.716 0 40 EDAB CC[C@H](C)Nc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O 217592628 JTFJFPRPZZWYDS-JTQLQIEISA-N 330.406 1.256 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](Cc2cncc(NCCO)c2)CC1 72366274 FHKFHHPBEZZJJK-CYBMUJFWSA-N 327.450 1.090 0 40 EDAB CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC(c3ccccc3F)C2)nn1 566536452 YEGMBOWFFKWPDU-HZPDHXFCSA-N 346.362 1.243 0 40 EDAB Cc1noc(CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)n1 44454046 NSPHAPGUJZNIQX-UHFFFAOYSA-N 337.401 1.419 0 40 EDAB Cc1noc(-c2cn(CCNC(=O)Cc3ccccc3F)nn2)n1 225584204 VUIHZFJAJXEUOQ-UHFFFAOYSA-N 330.323 1.135 0 40 EDAB Cc1nn(C(C)C)cc1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O 574925384 YWVKOWKHJWUVFP-ZIAGYGMSSA-N 327.450 1.858 0 40 EDAB COC(=O)NCC(=O)N[C@H](CCSC)c1nc2ccccc2[nH]1 40555373 AWXLIXRUFYZMLJ-GFCCVEGCSA-N 336.417 1.829 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1ccsc1=O 193324144 WAEPHFXJIIGDAJ-ZDUSSCGKSA-N 332.381 1.036 0 40 EDAB COc1ccc(C(=O)N2CCCN(CC(=O)NC(C)(C)C)CC2)cc1 40481332 UYWQLSNRDHORTH-UHFFFAOYSA-N 347.459 1.758 0 40 EDAB Cc1cc(Br)ccc1NCC(=O)NC[C@]1(O)CCOC1 225806038 AKIAFCFEZAKAMG-CQSZACIVSA-N 343.221 1.437 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N2CCOc3ccccc32)CC1 222611535 SEJFIOMMVPMHCV-UHFFFAOYSA-N 338.429 1.474 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2nnc3ccc(C)cc3n2)C1 46088585 PNEHYADTUNZGQD-LBPRGKRZSA-N 328.372 1.749 0 40 EDAB Cc1nn(C)c2cnn([C@H](C)C(=O)NCc3ccc4c(c3)OCO4)c12 41123788 DOXQYGUXZOLNIB-LLVKDONJSA-N 341.371 1.684 0 40 EDAB COCCN([C@@H]1CCOC1)S(=O)(=O)c1cc(C)ccc1OC 225684708 UUQQYPZPLSUAAV-CYBMUJFWSA-N 329.418 1.430 0 40 EDAB C[C@H](NC(=O)NCCc1cn2ccccc2n1)c1nnnn1C1CC1 190739186 LNLUPJNIDGKFEF-NSHDSACASA-N 340.391 1.259 0 40 EDAB C[C@](NC(=O)[C@H]1CCCOC1)(C(N)=O)c1cccc(C(F)(F)F)c1 96454546 XBQSHDODSQLCKQ-ZUZCIYMTSA-N 344.333 1.949 0 40 EDAB O=C(c1ccncc1)N1CCO[C@]2(COCCN(CC3CC3)C2)C1 96076644 UQYUNNONKJERBL-SFHVURJKSA-N 331.416 1.035 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccsc3)C2)no1 96108470 DSGJYARIZJOQKA-PBHICJAKSA-N 347.440 1.923 0 40 EDAB COCC[S@](=O)CC(=O)NCc1cc(Br)cs1 96475647 GWBCULNALZQRNH-QGZVFWFLSA-N 340.264 1.522 0 40 EDAB Cc1ccc(NC[C@@H]2CCN(CCCN3C(=O)CNC3=O)C2)nc1 97200517 QFEKLGTVOUOYQX-AWEZNQCLSA-N 331.420 1.066 0 40 EDAB Cn1cc(CN2CCC3(CC2)CCN(Cc2ccccn2)C3=O)cn1 96157858 RBEUYEOPEFJSES-UHFFFAOYSA-N 339.443 1.830 0 40 EDAB CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccnc2)O1 96056405 KIVRIWZGWSMPGS-BRWVUGGUSA-N 333.432 1.308 0 40 EDAB COCCC(=O)N1Cc2ccnn2C[C@@H](COc2cccnc2)C1 96189141 XMFOXYXVAVNXJX-AWEZNQCLSA-N 330.388 1.352 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 96420685 KVAIEYRDBKBGFK-SFHVURJKSA-N 325.412 1.941 0 40 EDAB C[C@@]1(c2nc(CCN3C(=O)NC4(CCCC4)C3=O)no2)CCOC1 333061422 BDDWWMXROSLYBI-OAHLLOKOSA-N 334.376 1.155 0 40 EDAB CN1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 96217505 IMHPVTGDEHMZSQ-PKOBYXMFSA-N 336.476 1.620 0 40 EDAB COCCO[C@H]1CCN(c2cc(OC)ncn2)[C@H]1Cc1cnn(C)c1 96200648 XOFFUCVVGSJMGP-GJZGRUSLSA-N 347.419 1.072 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(-n2cccn2)n1 96425499 DSGNIUGDLWNDNW-LBPRGKRZSA-N 338.415 1.979 0 40 EDAB Cc1cnc(N2CCC[C@]3(CCC(=O)N3CCN(C)C)CC2)nc1 96217761 LMDLIBDZLGZDGQ-SFHVURJKSA-N 331.464 1.698 0 40 EDAB Cc1ccc(CN2CCN(C(=O)NC(C)C)C[C@]3(CNC(=O)C3)C2)o1 96035995 ODTLKZBWXJTUFG-GOSISDBHSA-N 348.447 1.330 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)CO[C@H](COc1ccccn1)C2 96106237 QELBCLJAWPLENO-ZDUSSCGKSA-N 326.418 1.291 0 40 EDAB CN(C)c1cc(N2CC3(C2)OCC[C@@H]3COc2ccccn2)ncn1 248125004 OINGLSCERRZKGV-CQSZACIVSA-N 341.415 1.612 0 40 EDAB O=C(c1ccccn1)N1Cc2ccnn2C[C@H](COCC2CC2)C1 247798094 DOLBQAVDEJHEQZ-OAHLLOKOSA-N 326.400 1.977 0 40 EDAB Cc1cc(CN2Cc3ccnn3[C@@H](C(=O)N3CCCCO3)C2)no1 247876373 AFMGHSLTDQVCCL-OAHLLOKOSA-N 331.376 1.290 0 40 EDAB Cn1ccnc1[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)O)C(F)(F)F 585134937 PUPRSOXMBIZCKO-NXEZZACHSA-N 333.310 1.922 0 40 EDAB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1C[C@H]2C[C@H]2C1 585124049 MBWNEQANBLFGQP-LZWOXQAQSA-N 334.441 1.708 0 40 EDAB COc1ccc(CN(C)[C@@H]2CN(C(=O)C3CCOCC3)C[C@H]2O)cc1 257318623 VOSSNNRYITWVAF-QZTJIDSGSA-N 348.443 1.125 0 40 EDAB NC1(C(=O)N2CCCC[C@@H]2c2cc(O)n3ccnc3n2)CCCC1 257212400 CDGKINRJASKPHE-CYBMUJFWSA-N 329.404 1.760 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(CN)CO)cc1 252515405 JPTPFODCTOUOQV-KURKYZTESA-N 331.437 1.872 0 40 EDAB Cc1cc(CC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)ccn1 257286508 PLWCUPDRIBODMH-UHFFFAOYSA-N 328.372 1.686 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cncs3)C2)ncn1 257330662 XPJGHKMWHVNZRO-MRXNPFEDSA-N 347.444 1.345 0 40 EDAB Cc1csc(Nc2cc([C@H]3CCN(CC(N)=O)C3)nc(C)n2)n1 257285408 PGYONDZVPUUGSJ-NSHDSACASA-N 332.433 1.568 0 40 EDAB O=C(NC[C@@]1(O)CCN(c2cnccn2)C1)c1ccc2c(c1)CCC2 257277132 NWOLNENAHKCQPL-IBGZPJMESA-N 338.411 1.337 0 40 EDAB CN(C)c1nccnc1[C@H]1CN(C(=O)CC2(O)CCCCC2)CCO1 257328413 XFNUYCHNZWSUOY-CQSZACIVSA-N 348.447 1.528 0 40 EDAB O=C(CC1(O)CCCCC1)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257257068 KNYGSRNXCBQZTP-JFIYKMOQSA-N 348.443 1.944 0 40 EDAB CC(=O)NCC(=O)N1CCOC[C@H](Cc2ccc3c(ccn3C)c2)C1 257289989 QBAAAPVXSXAKSV-MRXNPFEDSA-N 343.427 1.332 0 40 EDAB CC(=O)N1CC[C@H](Cc2nccnc2C(=O)N2CCC(C)CC2)C1 257322969 WIGXPCJERGDSMF-OAHLLOKOSA-N 330.432 1.760 0 40 EDAB Cc1ncsc1C(=O)N(C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257201512 AHYGTFCVGSXICT-MGPQQGTHSA-N 333.413 1.889 0 40 EDAB Cc1cccc(C(=O)N2CCO[C@@H](c3ncc(CN(C)C)[nH]3)C2)n1 257253456 JYZYHMDDHMAAEQ-OAHLLOKOSA-N 329.404 1.388 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(Cc3cccc(OCCO)c3)CCO2)n1 257297900 RJHGTCNSNNGDFS-KRWDZBQOSA-N 345.399 1.435 0 40 EDAB COC(=O)c1cnc([C@H]2CCCN(C(=O)c3ccncn3)C2)s1 598563465 PYSLOFDGTRZGQO-JTQLQIEISA-N 332.385 1.740 0 40 EDAB COC(=O)[C@@H]1C[C@@H]2C[C@H](N[C@@H]3CCCC[C@H]3N3CCOCC3)[C@@H]2C1 1616038876 UIXZDPSNQZCFTE-NKXHUJMZSA-N 336.476 1.807 0 40 EDAB CC(C)CS(=O)(=O)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 96366893 DVMDZUKVEDUJFC-AWEZNQCLSA-N 345.486 1.911 0 40 EDAB COc1ccc(C2=NO[C@@H](CNC(=O)CN3CCC[C@@H]3C)C2)cc1F 390835615 SMOPNJJEUASXKH-GXTWGEPZSA-N 349.406 1.928 0 40 EDAB O=C1CCCN1C[C@@H]1CO[C@@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@@H]21 575404386 LXWMXLWSTGLGDS-XJKCOSOUSA-N 345.399 1.261 0 40 EDAB CN(Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCc2ccnn2C)[C@@H]1O 585280508 JQADNQWRADFZPT-KURKYZTESA-N 342.443 1.308 0 40 EDAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3cncnc3)C2)cc1 585269111 KEPFAYLESZEOMC-GOSISDBHSA-N 327.384 1.831 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1cnn(-c2ccc(F)cc2)c1 585291208 NFSPNHPWZFLKRX-KURKYZTESA-N 349.406 1.872 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccc(F)cc1)[C@@H]2C 585097640 ONEUFUSETSGEMK-LLVKDONJSA-N 334.351 1.546 0 40 EDAB Cc1cccc(C[C@H]2CCN(C(=O)Cc3nonc3C)C[C@@H]2O)c1 585278980 JRYQMOIWCXJOIR-WBVHZDCISA-N 329.400 1.681 0 40 EDAB CO[C@]1(COc2cccc(C)c2)CCN(C(=O)Cn2ccnc2)C1 585275934 GUGPPAAXLZGJJH-GOSISDBHSA-N 329.400 1.888 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)c1cccn1C 27542780 QASLJGAKUCRNMY-LBPRGKRZSA-N 335.429 1.548 0 40 EDAB Cc1occc(=O)c1OCC(=O)N1CCNC(=O)[C@H]1c1cccs1 933745233 QIDZCVSUZXCETK-CQSZACIVSA-N 348.380 1.088 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC3CC3)cc(C3CC3)nc21 29792143 ZKIPNPQYWWHSAG-UHFFFAOYSA-N 342.399 1.512 0 40 EDAB CN(C(=O)CN1CCN(Cc2nccn2C)CC1)c1ccccc1 69435579 PQCPMODTDSGVAD-UHFFFAOYSA-N 327.432 1.201 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 71870397 HFFWXJAIRTYOJQ-UPJWGTAASA-N 347.381 1.482 0 40 EDAB O=C1O[C@@H](C(=O)N2CCC[C@@H](n3cncn3)C2)Cc2ccccc21 72234779 BGSRUQYKNPDZBN-UKRRQHHQSA-N 326.356 1.223 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cc3c([nH]c1=O)CCCC3)C2 72273577 LZDNFWRNKZTSPC-ZDUSSCGKSA-N 326.400 1.503 0 40 EDAB C[C@H]1CCc2nn(CCNC(=O)Cc3ccccc3F)c(=O)cc2C1 72342281 OCBNNJQMOVEZOU-ZDUSSCGKSA-N 343.402 1.866 0 40 EDAB CN1CCN(C(=O)c2ccnc(-n3cncn3)c2)[C@@H](c2ccccc2)C1 54675761 WRWGZAABUDYUFA-QGZVFWFLSA-N 348.410 1.791 0 40 EDAB CCN(CCCNC(=O)Nc1c(F)cccc1F)S(C)(=O)=O 56541086 WHZIVEIYPWTPGP-UHFFFAOYSA-N 335.376 1.758 0 40 EDAB Cc1cn2c(=O)c(C(=O)N(C)CCCn3ccnc3C)cnc2s1 92961526 LKQNHCBTTMBVTA-UHFFFAOYSA-N 345.428 1.732 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@@H]1N1CCOCC1 84735763 VEQKUWILGNOYOK-SKDZVZGDSA-N 348.418 1.698 0 40 EDAB CS(=O)(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 96098226 LDKWRWFIFPVQTO-UHFFFAOYSA-N 337.850 1.538 0 40 EDAB Cc1cc2c(N3CCC[C@H](C(=O)N4CCOCC4)C3)nccn2n1 302302171 NIPVBJBBDSUPOG-AWEZNQCLSA-N 329.404 1.113 0 40 EDAB Cc1nc2cc([C@H]3CCCN3C(=O)[C@H]3CCCO3)nn2c(O)c1C 12336964 RATGQTREFDNIBI-ZIAGYGMSSA-N 330.388 1.894 0 40 EDAB CC1CCN(CC(=O)N2CCO[C@@H](C(=O)Nc3ccccc3)C2)CC1 19747641 QHAXPAJSIALLLK-QGZVFWFLSA-N 345.443 1.584 0 40 EDAB COCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C(F)(F)C2)cc1 516639696 PWZITQIFPPPKJJ-LBPRGKRZSA-N 349.355 1.564 0 40 EDAB COc1ccnc(NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)n1 370974795 CZTIYXKHCNMIJE-QMMMGPOBSA-N 328.298 1.814 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)Cc2cc(F)ccc2F)[C@@H]1c1cccnc1 583619558 QKOHDGNANLIAIU-QAPCUYQASA-N 345.349 1.991 0 40 EDAB CCOC(=O)CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 585121757 YRYDSXIIYHTJPA-CQSZACIVSA-N 338.448 1.731 0 40 EDAB c1cnc(N2C[C@@H]3CN(Cc4nc5c(s4)CCC5)C[C@@H]3C2)nc1 1888844183 VBBXMFNMJTWXPH-BETUJISGSA-N 327.457 1.990 0 40 EDAB Cc1nc(C2CC2)nc(N2CCN(c3cc(=O)n(C)cn3)CC2)c1C 1888853345 HGAPJMLNAKMLKD-UHFFFAOYSA-N 340.431 1.391 0 40 EDAB Cn1nc(-c2cnccn2)cc1CNC(=O)COc1ccccc1F 240067990 SGNXHXVJEJXCNY-UHFFFAOYSA-N 341.346 1.711 0 40 EDAB CCOC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(O)nn3)nc21 38488746 XYMNPLCXJLBJGU-ZETCQYMHSA-N 334.357 1.484 0 40 EDAB Cc1nn(CCNC(=O)CN2C(=O)CCC2=O)c(C)c1-c1ccco1 575615660 SMLHLANVGADFSP-UHFFFAOYSA-N 344.371 1.025 0 40 EDAB COC(=O)c1ccccc1C(=O)N1CC[C@H](Oc2ccnc(C)n2)C1 575614279 YKDJZEMDHYOHQT-ZDUSSCGKSA-N 341.367 1.865 0 40 EDAB COc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 17820070 IMTQCBMJOAFORP-PRRDBKRISA-N 340.379 1.831 0 40 EDAB CCCCc1noc(CS(=O)(=O)CC(=O)NC(CC)CC)n1 40106340 SCOOFXHCTLTIHE-UHFFFAOYSA-N 331.438 1.632 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCN(Cc3cccs3)CC2)c(=O)[nH]1 31216569 ZUCOPJHHYNEYKV-UHFFFAOYSA-N 346.456 1.335 0 40 EDAB Cc1ccc(Cn2cccc/c2=N\C(=O)[C@H]2CCS(=O)(=O)C2)cc1 40466601 OJYBYVSGWWHKQM-QBHGPPCGSA-N 344.436 1.707 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CCO[C@@H]2CCCC[C@@H]21 40553805 FLICBEPLHQPZEN-JKSUJKDBSA-N 327.384 1.567 0 40 EDAB COCCN1CCN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 51281776 KPWYTUMIBFMLIK-QGZVFWFLSA-N 346.475 1.278 0 40 EDAB COC(=O)CCCCC(=O)[C@H]1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 101258458 AAHHLCOFCISNAT-UONOGXRCSA-N 340.372 1.262 0 40 EDAB COC(=O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)ccc1Cl 101358160 FCBUFYFFWZMHFV-ZOPJHEKZSA-N 347.754 1.960 0 40 EDAB C[C@H](CNC(=O)c1ccc(O)nn1)N1CCN(c2ccccc2)CC1 32722416 VNLCFFOKDZMRIW-CQSZACIVSA-N 341.415 1.123 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N(C)c2cccc(OC)n2)cc1 32876265 CCEDRVQTTAUVAE-UHFFFAOYSA-N 336.369 1.702 0 40 EDAB Cn1c(=O)c2cn(-c3ccc(Br)cc3)cc2n(C)c1=O 189007 WFXFMRAWHBLSCE-UHFFFAOYSA-N 334.173 1.790 0 40 EDAB COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCCC1 12200488 WFWZRFWRKLCBPB-UHFFFAOYSA-N 338.385 1.133 0 40 EDAB C[C@H](NC(=O)N1CCN(Cc2ccccc2F)CC1)c1nncn1C 46964375 BGXYDIBCBNMXAT-ZDUSSCGKSA-N 346.410 1.543 0 40 EDAB CCc1cnc(CN(C)[C@@H]2CCN(CC(=O)NCc3ccco3)C2)o1 76047812 MIWYVSQZFCPLMU-CQSZACIVSA-N 346.431 1.653 0 40 EDAB Cc1ccc(Nc2ncnc3nc[nH]c23)cc1CN(CCO)CCO 1700822 YOEWRHQJDRKHFN-UHFFFAOYSA-N 342.403 1.192 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)NCCC(C)C)cc1C 6471814 MCDMEOVYMFGTKI-UHFFFAOYSA-N 329.418 1.871 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)s1 6680040 SVOXATKJIFIENL-RKDXNWHRSA-N 332.447 1.214 0 40 EDAB O=C(C1CC=CC1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108528399 VYXNTFFSLWUNEZ-ROUUACIJSA-N 327.428 1.850 0 40 EDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3ccsc3)CC2)C1 108525395 ZDXYCYMVMGFRRK-CQSZACIVSA-N 344.502 1.811 0 40 EDAB NC(=O)C1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 54126856 UIASLJXBVJRTAG-UHFFFAOYSA-N 343.196 1.855 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(O)cc2)NC(=S)N1 8690355 UEOPPCJZBYLTCH-AWEZNQCLSA-N 333.413 1.044 0 40 EDAB Cc1csc2nc(CN3CCN(c4ccccn4)CC3)cc(=O)n12 23640975 MOOWWRDGLYWSJF-UHFFFAOYSA-N 341.440 1.782 0 40 EDAB Cc1ccccc1CCNC(=O)CN1CCC(N2CCNC2=O)CC1 52215860 XFHYQALFQFROFV-UHFFFAOYSA-N 344.459 1.143 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 25049755 LYWGTCRWPUGTDL-HNNXBMFYSA-N 326.400 1.970 0 40 EDAB O=C(c1ccc(Cn2cccn2)cc1)N1CCN(C(=O)C2CC2)CC1 25169488 XRRAZLZJMBOZJH-UHFFFAOYSA-N 338.411 1.626 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)CC1 55684698 HYJXTOLMBFGILE-LLVKDONJSA-N 330.388 1.627 0 40 EDAB CC(C)c1ccc(C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 102837607 OQRNXFOZDUCVTH-TUVASFSCSA-N 328.368 1.617 0 40 EDAB CN1CCCN(C[C@H](CC(=O)Nc2cccc(O)c2)C(=O)O)CC1 106715248 AGYSRFRDEHVBKQ-ZDUSSCGKSA-N 335.404 1.059 0 40 EDAB C[C@H](NC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1)C1CC1 43841691 SWAUOXBGGMUSAO-ZDUSSCGKSA-N 341.419 1.292 0 40 EDAB O=C(CN1CCOc2ccccc21)N1CCN(c2ncccn2)CC1 26200962 RKUXQZGQWSYIMA-UHFFFAOYSA-N 339.399 1.024 0 40 EDAB COc1ccc(CCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1OC 57265233 CHGQBDZDIRYPML-TZMCWYRMSA-N 334.416 1.749 0 40 EDAB CCCCNC(=O)NC(=O)CN1CCN(c2ccccc2F)CC1 35307884 KOXUXTCJHKEJLA-UHFFFAOYSA-N 336.411 1.574 0 40 EDAB O=C(c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)N1CCOCC1 26503947 BPVCJGBAXLLFDW-HOTGVXAUSA-N 340.379 1.615 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 26840700 IBJGOBDFAOSVEV-MCIONIFRSA-N 342.461 1.471 0 40 EDAB CC(=O)c1cccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)c1 12600203 WIGRDFXANSAMBO-UHFFFAOYSA-N 343.368 1.332 0 40 EDAB COc1ccc(OCCN2CCC(NS(C)(=O)=O)CC2)cc1 44892821 BIUUABKESAXGIU-UHFFFAOYSA-N 328.434 1.088 0 40 EDAB Cc1cccc(OCC(=O)Nc2nnc(S(C)(=O)=O)s2)c1 27664389 NEURWKMJEKRPCX-UHFFFAOYSA-N 327.387 1.268 0 40 EDAB Cn1cncc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 108536520 MGADSNVINHDKGA-HOCLYGCPSA-N 338.402 1.890 0 40 EDAB CCc1noc(C)c1C(=O)N1CCC(NC(=O)c2cccnc2)CC1 58294193 FKDNCTLUFTYCET-UHFFFAOYSA-N 342.399 1.975 0 40 EDAB CCc1ccc(N2CCC(NS(=O)(=O)c3cnn(C)c3)CC2)cc1 58265582 MIUBLRBVGDDHIT-UHFFFAOYSA-N 348.472 1.930 0 40 EDAB NC(=O)c1cccc(CN2CCC(C(=O)NCc3ccco3)CC2)c1 58201596 BGERNMBMVPAMCW-UHFFFAOYSA-N 341.411 1.907 0 40 EDAB C[C@@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)N1CCCC1 44934234 ZHAGJFUAHOPKKD-AWEZNQCLSA-N 328.416 1.770 0 40 EDAB CCOc1ccc(S(=O)(=O)CC(=O)N2CCO[C@@H](C)C2)cc1 44947509 RGMANQLUEQKQMH-LBPRGKRZSA-N 327.402 1.106 0 40 EDAB Cn1cc(-c2nc(C(=O)Nc3nnc4ccccn34)cs2)cn1 44966955 FSCAJVKTYATAON-UHFFFAOYSA-N 325.357 1.839 0 40 EDAB c1ccc2nc(NC[C@H]3CCN(CCN4CCOCC4)C3)cnc2c1 58370000 IVKQTYXQXWXQLG-MRXNPFEDSA-N 341.459 1.696 0 40 EDAB O=C(CN(C1CC1)[C@H]1CCc2ccccc21)N[C@@H]1CCCCNC1=O 58331659 XLQFVXVOXZDEGJ-MSOLQXFVSA-N 341.455 1.923 0 40 EDAB C[C@@H](CCNC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 58341419 VCLZEHSOIMAHHB-ZDUSSCGKSA-N 339.399 1.440 0 40 EDAB Cc1nn(C)c2cnn(CCNC(=O)[C@H]3COc4ccccc4O3)c12 57279787 XKIQBCGPKJOFCZ-OAHLLOKOSA-N 341.371 1.034 0 40 EDAB CN(C(=O)NCCCNS(C)(=O)=O)[C@@H]1CCCc2ccccc21 48355620 DFOCGICXLKLPNC-OAHLLOKOSA-N 339.461 1.645 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 48362364 HDZHZICFRLAMIC-INIZCTEOSA-N 332.400 1.281 0 40 EDAB COc1ccc(-c2cc3c(=O)n(Cc4nonc4C)ncn3n2)cc1 36615165 RJMMATKKUGDGAG-UHFFFAOYSA-N 338.327 1.306 0 40 EDAB COc1ccccc1OCCNC(=O)c1ccc(S(C)(=O)=O)cc1 3458907 RBLKTPWSNASSOU-UHFFFAOYSA-N 349.408 1.908 0 40 EDAB COc1ccc(OC)c(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c1 12914675 PCBABXSKGHHTPL-UHFFFAOYSA-N 331.372 1.975 0 40 EDAB CN(C)CC(C)(C)CNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C 71186284 PYSWHHDTZFLSMT-GFCCVEGCSA-N 329.510 1.638 0 40 EDAB O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 4085671 DMMAZPQZHAUUOG-HUBLWGQQSA-N 332.381 1.332 0 40 EDAB biogenic O=C(COC(=O)c1cc(O)c2ccccc2c1O)NC[C@H]1CCCO1 5203894 CPLMBJZQYIJQND-LLVKDONJSA-N 345.351 1.703 0 40 EDAB COc1ccccc1OCCN(C)c1ncnc2c1CN(C)CC2 65473342 MSIHMSBTLIVVAT-UHFFFAOYSA-N 328.416 1.988 0 40 EDAB Cc1csc(CNC(=O)N[C@@H]2CCCc3c2cnn3CCO)n1 65449350 DHUSYJDKUQYTAD-GFCCVEGCSA-N 335.433 1.517 0 40 EDAB CCN1C[C@H](CN(C)C(=O)NC[C@@H]2CCOC2)Oc2ccccc21 65405098 NWJALCYUETYPFH-GJZGRUSLSA-N 333.432 1.952 0 40 EDAB CC1CCN(S(=O)(=O)N2CCCN(C[C@@H]3CCCO3)CC2)CC1 65575117 IUYCIPQKYNOBSM-INIZCTEOSA-N 345.509 1.150 0 40 EDAB CN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C(N)=O)c1ccc(F)cc1 14162162 ZYTGYYWAGKXTOT-MRXNPFEDSA-N 340.358 1.721 0 40 EDAB CCn1cnnc1CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1 65613485 SXCNASOSJHKFEI-NSHDSACASA-N 333.417 1.281 0 40 EDAB COc1ccc(CNC(=O)CCC(=O)N2CCC(C(=O)O)CC2)cc1 4775472 AKCSOOPNBDGSAT-UHFFFAOYSA-N 348.399 1.415 0 40 EDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OC 4987069 IUFIILLEZNUMBX-HNNXBMFYSA-N 344.371 1.765 0 40 EDAB CCNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cnn(C)c1 67244326 VUTUOOJRLSZKSG-UHFFFAOYSA-N 342.808 1.624 0 40 EDAB CNC(=O)c1ccc(N[C@H]2CCCN(c3ccccc3F)C2=O)nn1 90149423 ACZOGFCNSJJGMS-ZDUSSCGKSA-N 343.362 1.583 0 40 EDAB COCCCn1c(SCc2nc(N)c3ccccc3n2)n[nH]c1=O 9338908 FWDJXYAAXCQZDA-UHFFFAOYSA-N 346.416 1.426 0 40 EDAB C[C@H]1C[C@H]1COC(=O)c1sccc1S(=O)(=O)N1CCOCC1 67900688 BDWFSNLZQZRXBF-QWRGUYRKSA-N 345.442 1.582 0 40 EDAB Cc1csc(CCN2C(=S)S[C@@H]3CS(=O)(=O)C[C@@H]32)n1 7995077 YFFUSKXRFXJPFU-DTWKUNHWSA-N 334.513 1.493 0 40 EDAB CC(=O)Nc1cccc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 68958155 LPADISNBJHHYGY-QGZVFWFLSA-N 331.416 1.582 0 40 EDAB CCOc1cc(CNCc2cc[nH]n2)ccc1O[C@H](C)C(=O)N(C)C 70019997 BLNAYIDHAZNZEN-CYBMUJFWSA-N 346.431 1.954 0 40 EDAB COCCOCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 69463176 NPWSVPNDCFCFDD-KRWDZBQOSA-N 348.443 1.389 0 40 EDAB C[C@H]1CCc2ccccc2N1C(=O)CN[C@H]1CCc2ncnn2C1 69596512 RXLWBPYBPDOWAZ-ZFWWWQNUSA-N 325.416 1.550 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)[C@H](C)OCC3CC3)CC2)n1 69513936 UGHYTKCJHLEPHW-ZDUSSCGKSA-N 334.420 1.339 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)Nc2ccc(F)c(C(N)=O)c2)C1 69623361 KWRFZXCZKWGCQP-SNVBAGLBSA-N 338.339 1.277 0 40 EDAB CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H]2Cn2nc(C)cc2C)CC1 71876045 MHWZGCCHRCMYBL-ZWKOTPCHSA-N 347.507 1.517 0 40 EDAB NC(=O)C1CCN(C(=O)CCOc2ccc(F)c(Cl)c2)CC1 71850412 CLBCTZWSDAPNCM-UHFFFAOYSA-N 328.771 1.972 0 40 EDAB CCCc1noc2ncc(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)cc12 71830084 SZCZLGZZOWRHEF-MNOVXSKESA-N 330.388 1.901 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cccc3c2OCC(=O)N3)c1 71869996 SLVFEYCGPIVONO-ZDUSSCGKSA-N 340.383 1.827 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[S@@](=O)c1ccccc1 69892941 REIKANANFONLRN-SPSFWMDKSA-N 340.445 1.824 0 40 EDAB CC(C)Cc1cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)n[nH]1 71883320 ZWVRZXMFMLYGEG-INIZCTEOSA-N 347.463 1.163 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)n1 71836485 ZGYINXGRXATJLW-STQMWFEESA-N 328.372 1.531 0 40 EDAB CNS(=O)(=O)c1cc(NC(=O)N[C@@H](C)CCOC)ccc1C 71853362 YCYJLRWLIPYBNG-NSHDSACASA-N 329.422 1.450 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)c3cc(F)cc4[nH]cnc34)CC2)S1 73118366 DSLZADHEQWWZOJ-JTQLQIEISA-N 347.419 1.951 0 40 EDAB COc1c([C@@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)c(C)nn1C 72267600 VNUPMBTXAKHCID-ZDUSSCGKSA-N 346.435 1.853 0 40 EDAB O=C1C[C@@H](NC(=O)N2CCC(CO)CC2)CN1Cc1ccccc1 72274354 PSPSNWIHPIJOGI-MRXNPFEDSA-N 331.416 1.201 0 40 EDAB COCCn1cc(NC(=O)NC2CN(C(=O)OC(C)(C)C)C2)cn1 72288951 KDALIHXQYQMIEQ-UHFFFAOYSA-N 339.396 1.270 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)[C@]3(C)CC3(Cl)Cl)C2=O)cn1 98010393 OOPZWZUCCMHSJJ-SKDRFNHKSA-N 331.203 1.226 0 40 EDAB CCn1nc(C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)ccc1=O 95956674 PTIWCHAQZKVSDI-LLVKDONJSA-N 344.371 1.489 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)N2CCC(n3cncn3)CC2)C12CCC2 74604126 WYVUTKOMSOLWME-HUUCEWRRSA-N 333.436 1.972 0 40 EDAB O=S(=O)(NCc1cccc(Br)c1)N1CCOCC1 27530830 XVYYJQMEXMAKIL-UHFFFAOYSA-N 335.223 1.116 0 40 EDAB COc1cn(C)c(C(=O)NCCc2c[nH]c3ccccc23)cc1=O 62001577 AFMZUBJPBVIJTC-UHFFFAOYSA-N 325.368 1.848 0 40 EDAB biogenic CCOCCCNC(=O)CN(c1ccccc1F)S(C)(=O)=O 409121723 VVOBVTLPIKPJIG-UHFFFAOYSA-N 332.397 1.135 0 40 EDAB COC(=O)C1(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 521394818 MMHKBPDKZIDYLF-UHFFFAOYSA-N 347.339 1.366 0 40 EDAB CCCn1nc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)ccc1=O 32776041 ANBJXCPCQQSSMO-JTQLQIEISA-N 334.332 1.134 0 40 EDAB COCCNc1ccc(C[C@@H]2CCCN(c3ncccn3)C2)nn1 72387277 MIWHALCAKDIROI-AWEZNQCLSA-N 328.420 1.784 0 40 EDAB O=C1c2cnc(N3CCC(O)CC3)nc2CN1c1ccc(F)cc1 72260020 DERCAUVJMXHCBU-UHFFFAOYSA-N 328.347 1.737 0 40 EDAB CC(=O)N1CCc2nc([C@H]3CCCN(c4ncccn4)C3)ncc2C1 72390871 IODQBLDGZIFEAF-AWEZNQCLSA-N 338.415 1.555 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N1CCC(C(=O)O)CC1 37415243 FJVZKKHNUZIDNE-UHFFFAOYSA-N 333.387 1.020 0 40 EDAB CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCC)C1C(=O)O 34848120 KFZBLPOJWMDIPA-UHFFFAOYSA-N 325.361 1.745 0 40 EDAB O=C(NCCCn1cccn1)[C@H]1CCC(=O)N1Cc1cccs1 72239667 XXPFGFHMYGKBJG-CQSZACIVSA-N 332.429 1.642 0 40 EDAB CC(C)[C@@H](NC(=O)c1nc2c(s1)CCC2)C(=O)N1CCOCC1 563468703 YRDUMKVCOQLCKN-CYBMUJFWSA-N 337.445 1.245 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 42533611 TWLVVKDCIFVXFO-KGLIPLIRSA-N 330.388 1.533 0 40 EDAB C=Cn1cc(CN2CCC(n3[nH]cc(C(=O)OCC)c3=N)CC2)cn1 225580366 VCPDVPYUJBDOIF-UHFFFAOYSA-N 344.419 1.606 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1F 570564000 DRSQCLQRLRBTBW-ZDUSSCGKSA-N 345.392 1.540 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225233311 PMLVLZYRWPNMPZ-GFCCVEGCSA-N 330.425 1.748 0 40 EDAB C[C@]1(c2ccsc2)CC(=O)N(Cc2nnc3n2CCCC3)C1=O 575603120 BORDFDQVQJOSMO-MRXNPFEDSA-N 330.413 1.893 0 40 EDAB Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)nnn1C 572222245 ASRBWEFQSWKEPH-SECBINFHSA-N 335.314 1.393 0 40 EDAB O=c1c2nn(Cc3ccc(F)cc3)c(=O)n2ccn1-c1ccccc1 225547213 SJIIATPCCSZEAN-UHFFFAOYSA-N 336.326 1.834 0 40 EDAB CCN1CCC[C@@](O)(CN2CCN(Cc3cccc(F)c3)CC2)C1 46087448 WUAWNWJGFZCYBH-IBGZPJMESA-N 335.467 1.790 0 40 EDAB Cc1ccc(O[C@H]2CCN(C(=O)c3cnc(O)c(Cl)c3)C2)nn1 225428032 BSDUXHDHVXXTFD-NSHDSACASA-N 334.763 1.833 0 40 EDAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)o1 96061501 LOMJXOXHQGLUKF-CQSZACIVSA-N 342.399 1.600 0 40 EDAB c1ccc(CN2CCOC[C@]3(CCCN(c4cnccn4)C3)C2)nc1 96229304 LAVIMPMMTRTNID-LJQANCHMSA-N 339.443 1.991 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2C(=O)c2ccoc2)N1CCN1CCCC1 96186296 UGVYXBOAFDRNEP-HOTGVXAUSA-N 331.416 1.581 0 40 EDAB Cc1ccc(CN2CC[C@@H]3O[C@H](C(=O)NCCN4CCCC4)C[C@@H]32)o1 96186577 UATUKDMVWPAUQS-BZSNNMDCSA-N 347.459 1.532 0 40 EDAB Cc1ccc2[nH]c3c(c2c1)C[C@@H](NS(=O)(=O)c1cnnn1C)CC3 330089749 OYUVLFQRXRAWRY-NSHDSACASA-N 345.428 1.441 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)[C@@H]1Cc3ccccc3C(=O)O1)CC2 97198575 NSGQRUVXQKJDKP-OCCSQVGLSA-N 340.383 1.053 0 40 EDAB O=C(c1cnccn1)N1CCO[C@]2(CCCN(c3ccccc3)C2)C1 96226230 JWUHKKSOMXNVBB-IBGZPJMESA-N 338.411 1.988 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@]2(CCCN(CC3CCOCC3)C2)C1 96048608 UWONXTIFJWAIJZ-IEBWSBKVSA-N 346.475 1.963 0 40 EDAB C[C@@H](CC[C@H]1CCCO1)NC(=O)N1CCN(Cc2ccon2)CC1 96439669 GULKSSYUHXPNQO-GOEBONIOSA-N 336.436 1.850 0 40 EDAB Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@H](C)Cn1ccnc1 96411194 MWKCXQGSNBQWKE-CZUORRHYSA-N 339.403 1.167 0 40 EDAB C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1n[nH]c2c1COCC2 97729452 UJUQJTQCGOPZJL-ZDUSSCGKSA-N 340.427 1.659 0 40 EDAB COc1ccc(CN2C[C@@H]3CN(C4CCOCC4)C[C@@H]3C2=O)cc1 96245349 ZWNWSKDUVCCOSS-YJBOKZPZSA-N 330.428 1.764 0 40 EDAB CCc1nnc(NC(=O)NCc2cnc(Br)cn2)s1 583651700 QOMWJOGCGIMETR-UHFFFAOYSA-N 343.210 1.975 0 40 EDAB COC1(c2nc(C3CC3)no2)CCN(C(=O)c2cnsn2)CC1 583615916 OVBAXIKCCGPXKD-UHFFFAOYSA-N 335.389 1.576 0 40 EDAB CCN1CCN(C(=O)CCc2ccccn2)C[C@@H]1c1nccn1C 583621886 LAJLFDNFUWHMCE-MRXNPFEDSA-N 327.432 1.653 0 40 EDAB CC(=O)N1C[C@H](NS(=O)(=O)CC2CC2)CC[C@H]1C(F)(F)F 583616404 NWOWZRRLDGJVHJ-MNOVXSKESA-N 328.356 1.258 0 40 EDAB COC(=O)[C@H](NCc1ncnn1C)c1cccc(Br)c1 96487616 WZVNXTOVDAMKTG-GFCCVEGCSA-N 339.193 1.582 0 40 EDAB Cc1nnc([C@@H]2CN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)CCO2)o1 583623011 KVBDBURMWUDNHC-CVEARBPZSA-N 343.383 1.898 0 40 EDAB COCc1ccc(C(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)o1 583618923 IBOHUIARGADTNF-KRWDZBQOSA-N 348.403 1.722 0 40 EDAB C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N(C)Cc1ccc(F)cc1Cl 97235090 CWGOGBSKRMYZNQ-OTYXRUKQSA-N 342.798 1.713 0 40 EDAB Cc1c(C(=O)NC2(CC(=O)O)CCOCC2)cnn1-c1ccncc1 1594257663 YPOFRNNXVRPIGO-UHFFFAOYSA-N 344.371 1.329 0 40 EDAB O=C1CCCN1CC[C@H]1CN(c2ncc(F)cn2)Cc2ccnn21 247954978 MVEPRFSTIBWSRD-AWEZNQCLSA-N 330.367 1.386 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1CN(CC2CC2)Cc2ccnn2C1 248148902 SSTPWTVBJIACKH-HNNXBMFYSA-N 327.432 1.493 0 40 EDAB CN(CCOc1ccc(F)cc1)C(=O)c1cccc(-n2cnnn2)c1 24387293 HCUAKTCJSVVYFV-UHFFFAOYSA-N 341.346 1.952 0 40 EDAB CO[C@](C)(C(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1)c1ccccc1F 585085893 OSUVBURSSKTXSB-IYOUNJFTSA-N 334.391 1.624 0 40 EDAB CC(C)(C)CN1CCC[C@H](N2CCC(c3nnc(N)o3)CC2)C1=O 585116362 RXHQNLYEUXYKBN-ZDUSSCGKSA-N 335.452 1.868 0 40 EDAB CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC[C@@]2(C)CCC(=O)N2)C1(C)C 585117652 QBADBIIURRRCOJ-BWACUDIHSA-N 325.453 1.937 0 40 EDAB Cc1ncc(S(=O)(=O)Nc2cccc(N=S(C)(C)=O)c2)[nH]1 585119114 RMSJYRMSIPKOLY-UHFFFAOYSA-N 328.419 1.878 0 40 EDAB CCn1cnnc1CNS(=O)(=O)[C@@H]1Cc2ccccc2[C@@H]1OC 585115780 RUIHDTSODZIHKK-HIFRSBDPSA-N 336.417 1.030 0 40 EDAB O=C(OC[C@@H]1CCCO1)N(CCN1CCOCC1)[C@H]1CCSC1 585115164 OYWAWBPRPKWWEP-GJZGRUSLSA-N 344.477 1.442 0 40 EDAB COC(=O)Cc1sccc1C(=O)N1CCC[C@H](C2OCCO2)C1 585135468 LICXNRJSPBDBLU-NSHDSACASA-N 339.413 1.689 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)N2CCCC2)[C@@H](c2ccccc2)C1 257303794 SITCMYURGBWPTB-MRXNPFEDSA-N 337.445 1.232 0 40 EDAB C[C@H]1CN(c2nccc(CN3CCN4CCC[C@H]4C3)n2)C[C@@H](C)O1 253604451 VXDSJMYLSONGSN-UXLLHSPISA-N 331.464 1.370 0 40 EDAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)cc1 250934806 FQQFLOUKXQBKCR-SLEUVZQESA-N 340.420 1.897 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 257235029 GWCWXXLVGULYNF-GFCCVEGCSA-N 340.431 1.825 0 40 EDAB CCCn1cc(-c2cncc(C[C@@H]3CCN(S(C)(=O)=O)C3)n2)cn1 257296577 RDKDVCJMMWFHIZ-ZDUSSCGKSA-N 349.460 1.574 0 40 EDAB CN1C(=O)CO[C@H]2CCN(C(=O)c3noc4c3CCCC4)CC[C@@H]21 257337605 YTNGXFOVUAZIMS-JSGCOSHPSA-N 333.388 1.015 0 40 EDAB Cc1ncc(C(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)c(C)n1 257305646 SQWNATRXGYQXIF-INIZCTEOSA-N 341.415 1.768 0 40 EDAB Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2cccs2)c1=O 85470710 HDJJPERVTBQOBC-UHFFFAOYSA-N 343.412 1.064 0 40 EDAB Cn1nccc1CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 30595984 RCFIYIZPEJBJMU-UHFFFAOYSA-N 335.307 1.797 0 40 EDAB COc1ccc(S(=O)(=O)Nc2cnn([C@@H]3CCOC3)c2)cc1F 96123292 MEJHMYZTUFNMKU-LLVKDONJSA-N 341.364 1.793 0 40 EDAB Nc1nn2ccccc2c1C(=O)NCCN1CCc2sccc2C1 1615547749 DAFZVVHBPGBEFL-UHFFFAOYSA-N 341.440 1.766 0 40 EDAB CO[C@](C)(CS(=O)(=O)N[C@@H](C)[C@H](CO)SC)c1ccccc1 585142002 LMGYFNYQSRTIRQ-AEGPPILISA-N 347.502 1.580 0 40 EDAB CC(C)NC(=O)[C@H]1CN(C(=O)C2(F)CCC2)CC12CCOCC2 585101976 NYEZAHDKWSSQGB-CYBMUJFWSA-N 326.412 1.658 0 40 EDAB C[C@@H]1CCCN(C(=O)c2nc3c(o2)CCN(C(=O)[C@@H]2CCCO2)C3)C1 585112293 OFFASGIFMNLMNQ-DOMZBBRYSA-N 347.415 1.610 0 40 EDAB Cc1noc(C)c1CN1CCOC[C@]2(CC(=O)N(CC(C)C)C2)C1 585103948 HMCQLDQADOQVTN-GOSISDBHSA-N 335.448 1.998 0 40 EDAB CC(C)CN1C[C@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@H]2C1 585106100 LTQNHEYQDNRGIP-CABCVRRESA-N 329.448 1.149 0 40 EDAB O=C(C1CCCC1)N1CCOC[C@](O)(COc2cccc(F)c2)C1 585276438 OQILCYJTYGUUMN-SFHVURJKSA-N 337.391 1.985 0 40 EDAB Brc1cnc(N[C@H]2CCN(C3CCOCC3)C2)nc1 1889057306 NTQMBGQCKJTLBJ-NSHDSACASA-N 327.226 1.904 0 40 EDAB O=S(=O)(NCC1(O)CCOCC1)c1cccc(C(F)(F)F)c1 70638973 PTCIGOPKVFMNOA-UHFFFAOYSA-N 339.335 1.525 0 40 EDAB Cc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1 35436336 AKUAOVYVACWIPN-MRXNPFEDSA-N 331.416 1.257 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(C)nc2)cc1 45706834 NUHKATDFHSMXNL-UHFFFAOYSA-N 348.428 1.298 0 40 EDAB C[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1cccc(-n2cccn2)c1 73205566 JPUONDGVNZVCQR-KGLIPLIRSA-N 347.440 1.874 0 40 EDAB O=C(/C=C/c1ccsc1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 76067785 IMBRMRCCCJLNLW-YYRQZUAOSA-N 337.426 1.956 0 40 EDAB Cc1nc(-c2nc[nH]n2)sc1C(=O)OCCNc1ncccn1 78610443 BFHMNTNXSJEULH-UHFFFAOYSA-N 331.361 1.296 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)s1 96099708 XSWACDNOERHPHM-ZDUSSCGKSA-N 344.502 1.530 0 40 EDAB COc1cccc(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1OC 96379942 UCTCIAJEPDFUIY-UHFFFAOYSA-N 341.429 1.599 0 40 EDAB c1nc(N2CCOCC2)cc(N2CCN(c3nccs3)CC2)n1 301301028 UWIZTTJYBMATFB-UHFFFAOYSA-N 332.433 1.096 0 40 EDAB Cc1ccnc(NC(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)c1 548350807 XBUMOSCLQITHSP-ZDUSSCGKSA-N 337.387 2.151 0 40 EDAB CN(C)c1cc(CNS(=O)(=O)N(C)C2CCCCC2)ccn1 40512727 GFYUEOODPARZDI-UHFFFAOYSA-N 326.466 1.747 0 40 EDAB NS(=O)(=O)C(F)(F)C(F)(F)C(=O)C(Cl)(Cl)Cl 5368742 DUHINHMGCFKKAS-UHFFFAOYSA-N 326.482 1.442 0 40 EDAB Cc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)cc1 11665624 KHVWSXKMBRGLPY-CZUORRHYSA-N 327.384 1.624 0 40 EDAB C[C@@H]1CCc2c(sc3ncn(CC4(O)CCNCC4)c(=O)c23)C1 12240197 LJCRVEHERVWXSY-LLVKDONJSA-N 333.457 1.697 0 40 EDAB Cc1nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CCOC3)nn2c(O)c1F 12337839 LPWLDGJNJPNMPF-AAEUAGOBSA-N 348.378 1.973 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC(O)(Cn2ccc3ccncc32)CC1 13268163 WZVVLMFCQIYJFM-INIZCTEOSA-N 329.400 1.569 0 40 EDAB Nc1nc(N)nc(COC(=O)CCCc2c[nH]c3ccccc23)n1 17527048 PKLFRARSVJUVKI-UHFFFAOYSA-N 326.360 1.583 0 40 EDAB COCCCNC(=O)[C@@H](C)n1nc(-c2cccs2)cc(N)c1=O 19080089 RJPDSNMDSXWCII-SNVBAGLBSA-N 336.417 1.268 0 40 EDAB COc1ncnc(N(C)C)c1NC(=O)c1ccn(-c2ccccc2)n1 152931422 NFDYORRTNCEUTR-UHFFFAOYSA-N 338.371 1.989 0 40 EDAB COc1cncc(O[C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 225498715 KMSRVJQJHVSIEU-CYBMUJFWSA-N 346.387 1.703 0 40 EDAB CC(=O)N1CCC(C(=O)N(C)Cc2ccc3c(c2)OCCO3)CC1 9741563 MVPNCLREONKKOZ-UHFFFAOYSA-N 332.400 1.675 0 40 EDAB Cc1ncnc(C(=O)NCc2ccc(N3CCOCC3)nc2)c1C 1888844219 CQBKKNGHVBXKNX-UHFFFAOYSA-N 327.388 1.255 0 40 EDAB FC(F)(F)c1ccc(N2CCN(CCn3ccnn3)CC2)nc1 1888854053 DSUATUUEFOBGBL-UHFFFAOYSA-N 326.326 1.514 0 40 EDAB Cc1[nH]c2c(C)cccc2c1CC(=O)N(C)C[C@@H]1COC[C@@H](O)[C@H]1O 2037961731 XQJLJBLEGVCUHF-NRXGSXMXSA-N 346.427 1.154 0 40 EDAB O=C(O)CN1CCCN(C(=O)c2cccc(Br)c2)CC1 61125962 YUURCNAZZRYNNM-UHFFFAOYSA-N 341.205 1.682 0 40 EDAB Cc1nsc(N2CCN(c3ccc4nc(C)c(C)n4n3)CC2)n1 2086992622 PPWCXHFUFGHGGY-UHFFFAOYSA-N 329.433 1.833 0 40 EDAB Cn1cnc(C(=O)N2CC[C@]3(C[C@H](Nc4ccccc4)CO3)C2)n1 1565551213 NPVIYFLCJHPZLB-YOEHRIQHSA-N 327.388 1.301 0 40 EDAB O=C(Cc1ccccn1)N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 1565551350 PDPZRRNQTGGROD-UHFFFAOYSA-N 349.456 1.087 0 40 EDAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)NCCO2 9172129 ZPNDOUFTVQMZEG-UHFFFAOYSA-N 342.351 1.835 0 40 EDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)NCc1cccs1)C2 585150354 OZGINFWOYQFCFJ-GFCCVEGCSA-N 331.445 1.961 0 40 EDAB O[C@@H]1c2cc(-c3ccncc3)nn2[C@H](O)c2cc(-c3ccncc3)nn21 618255066 GMRPANPBESHOGZ-QZTJIDSGSA-N 346.350 1.595 0 40 EDAB O=C(NCCn1nc([C@H]2CCNC2)c2nccnc21)[C@@H]1CC=CCC1 19404431 POHXILHRTPYKRY-KGLIPLIRSA-N 340.431 1.376 0 40 EDAB Cc1cc(C(=O)Nc2ccc(-n3nnc(C(N)=O)n3)cc2)c(C)o1 70999321 KDOWDYQCVDBIMI-UHFFFAOYSA-N 326.316 1.223 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)o1 31487658 IHJDPIFXAIYNJR-QMMMGPOBSA-N 344.339 1.957 0 40 EDAB O=C(NCC1CCC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 31441652 GTVRTXRSRNOTPE-CQSZACIVSA-N 342.395 1.992 0 40 EDAB C[C@@H]1CN(c2ccccc2NC(=O)NCC(=O)N(C)C)C[C@@H](C)O1 40555104 COEAORXWBQNNGC-CHWSQXEVSA-N 334.420 1.510 0 40 EDAB CN(C)[C@H](CNc1c(NCc2ccncc2)c(=O)c1=O)c1ccco1 101691451 DEYFQUYICWLUCY-CYBMUJFWSA-N 340.383 1.598 0 40 EDAB CCOC(=O)c1sc2ncnc(N3CCC[C@H](C(N)=O)C3)c2c1C 21364008 BQJOXANSPVKQPZ-JTQLQIEISA-N 348.428 1.878 0 40 EDAB NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](c3ccccc3)CC2=O)c1 112141 OKWYDNJTYPQCKN-AWEZNQCLSA-N 344.392 1.490 0 40 EDAB aggregator COc1ccc(C(=O)NCC(=O)N[C@H]2COc3ccccc3C2)cc1 53044265 KHMOMXIUBQLQOI-OAHLLOKOSA-N 340.379 1.545 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCc3cn(C)nc3C)C2)n1 72286011 YSRBNSYFXRAUMV-MRXNPFEDSA-N 330.436 1.733 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 78894427 UHIQCWICPXNBPQ-ABAIWWIYSA-N 330.436 1.082 0 40 EDAB COCCNC(=S)N(CCO)Cc1cc2ccc(C)cc2[nH]c1=O 4131628 FCTRJOUHHYOSRN-UHFFFAOYSA-N 349.456 1.152 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2cccnc2N2CCCC2)C[C@@H](C)O1 42032141 HQGZIMXZZVVJGW-HUUCEWRRSA-N 332.448 1.521 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCC)c(Cl)c1 6778988 QORKYKRXEFCENM-UHFFFAOYSA-N 334.825 1.543 0 40 EDAB CCCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 6879715 VIVAAFUIEBKMBP-GFCCVEGCSA-N 328.434 1.668 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)Cn2ccccc2=O)CC1 7105648 RXXZPAINSZTZJA-UHFFFAOYSA-N 341.411 1.596 0 40 EDAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CCN(CC(F)F)CC1 84335647 KFAZGHUWCGUHGX-CYBMUJFWSA-N 343.378 1.477 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCOc2ccccc21 23647381 RXRDQZNILHOBEY-OAHLLOKOSA-N 346.408 1.896 0 40 EDAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 54830387 OISKEQFAVWVMKJ-LBPRGKRZSA-N 330.381 1.725 0 40 EDAB COc1cc(OC)n2nc(S(=O)(=O)Cc3ccccc3)nc2n1 3128616 XSADCEDOPBEDTF-UHFFFAOYSA-N 334.357 1.115 0 40 EDAB O=C1OCCN1CCc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 55049632 KMUWOJOBPYWRHY-UHFFFAOYSA-N 330.369 1.974 0 40 EDAB COc1ccc(CCNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 24586250 LXCQWUOXCKCEHI-RHSMWYFYSA-N 334.441 1.808 0 40 EDAB CCN(CC)Cc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)o1 55123015 PKYJJEOKPVXTMK-GFCCVEGCSA-N 328.434 1.381 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N(C)c2ccccc21 24729058 SMZNPGGIBPRDGK-ZIAGYGMSSA-N 332.400 1.841 0 40 EDAB CN(C)C(=O)COc1ccccc1CNC[C@H]1CN(C2CC2)CCO1 106380701 BJDQQRPTRDBONR-KRWDZBQOSA-N 347.459 1.106 0 40 EDAB CCc1cccc(OC[C@H](O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 9254330 OODDJRODUQQROE-HUUCEWRRSA-N 327.446 1.108 0 40 EDAB COc1ncccc1CNC(=O)Nc1ccc(S(C)(=O)=O)cc1 43418286 QNWCYQLUBSODNK-UHFFFAOYSA-N 335.385 1.815 0 40 EDAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCN(c3ccccn3)CC1)OC2=O 100260358 XVVOQKHMLHQNNO-OALUTQOASA-N 343.427 1.852 0 40 EDAB CCc1c(C)nn2c(O)cc([C@@H]3CCN(C(=O)[C@@H]4CCCO4)C3)nc12 100147066 OKPNFFVVVUAYQO-DOMZBBRYSA-N 344.415 1.801 0 40 EDAB CCN(CC(=O)NC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 25748882 OWOQPMSOBMLOQB-UHFFFAOYSA-N 348.472 1.820 0 40 EDAB COc1ccc(OC)c([C@@H](C)NC(=O)NCCNc2ncccn2)c1 43878298 NRLIFYJATXDUJU-GFCCVEGCSA-N 345.403 1.966 0 40 EDAB COc1ccc(CCN2C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1OC 101128748 IYAZKECBAROYGG-DARAHFNDSA-N 329.352 1.185 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCc2sccc2C1 26708583 WVZALUOCOFHNLC-GFCCVEGCSA-N 328.459 1.447 0 40 EDAB CCN(C(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 58109683 XCKCMFXYPBHVTN-INIZCTEOSA-N 347.440 1.581 0 40 EDAB C[C@H]1Oc2ccccc2N(CC(=O)N[C@H]2CCc3nccn3C2)C1=O 97197902 TXYYFKKWVWMTCO-OLZOCXBDSA-N 340.383 1.128 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)C)C1 58226028 GOCIQPNATCDBTQ-LBPRGKRZSA-N 328.409 1.623 0 40 EDAB CCOc1ccc(Cl)cc1CNCCNC(=O)c1nonc1N 2181824 CBUGAWZWCCKDDJ-UHFFFAOYSA-N 339.783 1.224 0 40 EDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 97166216 FYGBSQHLUAVUHZ-UAGQMJEPSA-N 338.473 1.748 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 44916443 BYAVOYAMAQAKSH-KBPBESRZSA-N 327.384 1.771 0 40 EDAB Cc1nc(CN2CCN(C(=O)N[C@H](C)Cn3cccn3)CC2)cs1 44969550 SJJYIMMPUKJVFL-CYBMUJFWSA-N 348.476 1.564 0 40 EDAB O=C(CCc1nc(-c2cccnc2)no1)N[C@H]1CCN2CCCC[C@H]12 44941997 WSGHXTQYKYESSK-LSDHHAIUSA-N 341.415 1.807 0 40 EDAB C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1nc(-c2ccc(F)cc2)no1 58328732 XKMLXELBTADLQD-VIFPVBQESA-N 345.334 1.661 0 40 EDAB O=C(Cn1c(C2CC2)nc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 58342549 SOXMBEDQNPLVRF-GFCCVEGCSA-N 333.413 1.217 0 40 EDAB CCN(CC)C(=O)C1CCN(CC(=O)NCc2ccccc2)CC1 58314513 GFDREYIJTUEJMR-UHFFFAOYSA-N 331.460 1.883 0 40 EDAB CNC(=O)NC(=O)CCN(Cc1ccccc1)C[C@H](C)C(=O)OC 58314221 BKWZBARWSPLNNR-ZDUSSCGKSA-N 335.404 1.143 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCC(c2ccnn2C)CC1 58421747 RONYPTGBNCTRPM-UHFFFAOYSA-N 330.436 1.589 0 40 EDAB CC(C)(C)OC(=O)CN(CCc1ccccc1)CC(=O)NC(N)=O 58429949 ORGOEQYLSCHEDV-UHFFFAOYSA-N 335.404 1.068 0 40 EDAB O=C(Cc1csc(-c2ccco2)n1)NC[C@@H]1CN2CCC[C@@H]2CO1 58403785 YAVDVSIWFFLMFX-ZIAGYGMSSA-N 347.440 1.925 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)Cn1ccnc1 58424152 CVURHGNJBNPPRO-SNVBAGLBSA-N 328.401 1.924 0 40 EDAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccc(Cl)cc1 10508303 NIVPTUFXROVOSZ-UHFFFAOYSA-N 335.776 1.783 0 40 EDAB CCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1O)c1c(C)noc1C 72324654 FOGWVGZCAOCTMS-LLVKDONJSA-N 337.328 1.528 0 40 EDAB biogenic O=C(NCCCN1CCOCC1)c1csc(Br)c1 36324010 FZQBQVVFCQODOK-UHFFFAOYSA-N 333.251 1.963 0 40 EDAB CN(C)c1cccc(C(=O)OCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 11030638 NYMNUPFOYQREBP-UHFFFAOYSA-N 339.351 1.962 0 40 EDAB C[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)c(F)c1 11010560 XHBWSDKYWCSCOP-RKDXNWHRSA-N 347.339 1.270 0 40 EDAB COc1ccccc1C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 26105696 OVJHCAQZKQOHJX-UHFFFAOYSA-N 348.424 1.712 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1 3318109 BFAMWMMGEKXYQX-UHFFFAOYSA-N 342.417 1.008 0 40 EDAB CCOC(=O)c1[nH]c(CSC2=NCCN2)c(C(=O)OCC)c1C 8921529 NVQWHWUOARQSIO-UHFFFAOYSA-N 339.417 1.869 0 40 EDAB Cc1cc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(O)cc2)no1 12852612 VCQWTVKFVBQASL-VIFPVBQESA-N 346.372 1.784 0 40 EDAB CC(C)c1nc2n(n1)CCC[C@H]2Nc1cc(-n2cccn2)nc(N)n1 92920991 JLKJERWAVQKJPH-LLVKDONJSA-N 339.407 1.906 0 40 EDAB CNC[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 71144448 AWKBWSKZHILIMX-SNVBAGLBSA-N 333.251 1.679 0 40 EDAB O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc[n+]([O-])c1 84572729 YTDGVZOILFVXIZ-UHFFFAOYSA-N 334.379 1.924 0 40 EDAB COc1cccc(CCC(=O)Nc2nc(CC(N)=O)cs2)c1OC 12922006 XCVCVBVRSZJVQM-UHFFFAOYSA-N 349.412 1.759 0 40 EDAB COC(=O)Cc1c(C)nc2nc(NCc3cccs3)nn2c1O 9109271 SOPOJMYNKDLANO-UHFFFAOYSA-N 333.373 1.527 0 40 EDAB CCOCCN1CCN(Cc2cc(-c3cnn(C)c3)no2)C[C@H]1C 249060774 YNHJEPFZYMLMFA-CQSZACIVSA-N 333.436 1.618 0 40 EDAB O=C(CN1CCc2c(ncn2C2CC2)C1)NCCc1cccs1 95373411 CKDIUABNCHQHSC-UHFFFAOYSA-N 330.457 1.997 0 40 EDAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)C(=O)Nc1cccc(O)c1 49543112 DOMSQBWWIOQTAW-XJKSGUPXSA-N 331.416 1.711 0 40 EDAB biogenic CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(C)c1c(C)cc(C)cc12 4124890 HUJWXYAJGSEVJT-INIZCTEOSA-N 346.412 1.435 0 40 EDAB COc1ccc(OC)c(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c1 5086909 YPTLYYUHIRGISE-UHFFFAOYSA-N 334.328 1.086 0 40 EDAB COc1ccc(C(=O)NCCCNC(=O)c2ccco2)cc1OC 5015349 VWKLRMUHBSFANI-UHFFFAOYSA-N 332.356 1.847 0 40 EDAB CN1CCC[C@@H](CNS(=O)(=O)c2ccc(OCC(F)F)cc2)C1 96009917 CXBJJSAATMLMKZ-LBPRGKRZSA-N 348.415 1.951 0 40 EDAB CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)CC1 19790359 IJEJQSJVZKNZTB-UHFFFAOYSA-N 340.210 1.911 0 40 EDAB CSc1ccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 65491549 AKAVJIVTGNPEKZ-SNVBAGLBSA-N 329.447 1.414 0 40 EDAB COC(=O)C(C)(C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 65576272 ALPODZNQWRSROU-UHFFFAOYSA-N 347.459 1.898 0 40 EDAB NC(=O)CCCNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 65565446 SYDUEVUVJPSZAB-RYUDHWBXSA-N 325.206 1.934 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cnccn1 5469315 BXIKAHSKZZKJMU-UHFFFAOYSA-N 331.328 1.638 0 40 EDAB COc1ccc(-c2ccc(CNC(=O)c3n[nH]c(=O)[nH]3)s2)cc1 80117574 DNTGGDSCKNZXOD-UHFFFAOYSA-N 330.369 1.765 0 40 EDAB COCCNC(=O)CNC(=O)c1cccnc1SC(F)(F)F 67541821 WVVYKJPHWJBDJP-UHFFFAOYSA-N 337.323 1.186 0 40 EDAB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ncccc12 67732556 BVAIARXFISKRBT-LBPRGKRZSA-N 332.429 1.993 0 40 EDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2cccnc2)cc1 408602186 IFSFLCNGFQHXPG-LBPRGKRZSA-N 349.412 1.073 0 40 EDAB CCn1c(SCCNS(=O)(=O)CC)nc2ccsc2c1=O 68050485 AMVYJPWPZXXOOP-UHFFFAOYSA-N 347.487 1.509 0 40 EDAB NC(=O)c1c(NC(=O)Cn2nnc3ccccc32)sc2c1CCC2 7780235 GCVJIACPWIZVFY-UHFFFAOYSA-N 341.396 1.719 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1nnc2ccccc2c1=O 7888264 WZSGHLANRRNINU-WCQYABFASA-N 343.387 1.196 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n(C)n1 71817188 XTVLXHIZNUWAHE-UHFFFAOYSA-N 342.399 1.415 0 40 EDAB CC(C)(NC(=O)c1nc(NCc2ccccc2)ncc1Cl)C(N)=O 71824270 SGBTZCHFPPXRTJ-UHFFFAOYSA-N 347.806 1.736 0 40 EDAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC[C@@H]1Cn1cccn1 71875556 JJNHJOLOOLLNGA-VXGBXAGGSA-N 347.444 1.535 0 40 EDAB NC(=O)CN1CCCN(C(=O)C[C@H]2CCc3ccccc3C2)CC1 71899410 CFCZPIZGCWFERE-HNNXBMFYSA-N 329.444 1.201 0 40 EDAB O=C(CSc1nnnn1Cc1cccs1)NCc1ccco1 8232436 QHMJRQQSXYWCLY-UHFFFAOYSA-N 335.414 1.784 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)N[C@H]1C[C@@H]1c1ccccc1Cl 69352207 VDSUYZAAETXOEA-OCCSQVGLSA-N 342.848 1.043 0 40 EDAB CC(C)[C@H](C)NC(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F 69389810 JXOPOHXVZWLXFH-JTQLQIEISA-N 338.383 1.597 0 40 EDAB CCCN(CC(=O)NC)C(=O)Cn1c(C2CC2)nc2ccccc21 69460751 KCHGMNLEZVXIDT-UHFFFAOYSA-N 328.416 1.898 0 40 EDAB C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)N1CCNC1=O 9691599 FMWDDJXZKIKDAO-MRVPVSSYSA-N 335.364 1.643 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)CCN2CCCC2)cc1 69598511 JHXUVBNSFWZAHA-CYBMUJFWSA-N 339.461 1.199 0 40 EDAB Cc1cccc(C)c1-n1nnnc1CN1CCC[C@@H]1Cn1cncn1 69598999 MVEMXMATXWZCFZ-OAHLLOKOSA-N 338.419 1.535 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)NCCOc1ccc(F)cc1 69629793 AEODRDWKMRLWKN-OAHLLOKOSA-N 347.394 1.077 0 40 EDAB COCCCNC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1 69703192 CHLZTVOAYSNNJX-UHFFFAOYSA-N 336.413 1.800 0 40 EDAB Cc1cc(CC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)n[nH]1 95440507 HWRUTYRPBQSLPX-WMLDXEAASA-N 330.363 1.488 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 69972793 KIPLNDXCYRZONI-MRXNPFEDSA-N 334.416 1.580 0 40 EDAB CCN(C)S(=O)(=O)c1c(C)nn(C[C@@H](O)c2ccccc2)c1C 95438801 KNUGOACSECBDFH-OAHLLOKOSA-N 337.445 1.874 0 40 EDAB C[C@H]1CN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CCO1 9854057 ZHQIQACLQKLLEJ-LBPRGKRZSA-N 338.429 1.260 0 40 EDAB COCCN1[C@H](C)CN(C(=O)c2c[nH]nc2-c2cccnc2)C[C@H]1C 97020981 CTEWGOSSDRMXEK-ZIAGYGMSSA-N 343.431 1.653 0 40 EDAB Cc1ccc(N2CCC[C@H](N3CCCN(C(N)=O)CC3)C2=O)cc1 98015845 YXBWNWULZFOUAY-INIZCTEOSA-N 330.432 1.577 0 40 EDAB C[C@@H]1CC[C@@H](C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)O1 95977008 KIDRKKAYYRGNCO-CJNGLKHVSA-N 328.416 1.775 0 40 EDAB Cn1cc(Br)cc(NC(=O)N[C@@H](CCO)C2CC2)c1=O 95964384 DQZAPYXUALUSNE-JTQLQIEISA-N 344.209 1.430 0 40 EDAB CNS(=O)(=O)CCCN(C)[C@H]1CCCN(c2ccccc2)C1 89392269 MULNNMGGGAMRHP-INIZCTEOSA-N 325.478 1.527 0 40 EDAB CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 75092538 CSKMTXBFOCQGAO-LLVKDONJSA-N 332.404 1.881 0 40 EDAB CN(C)c1nc(CNC(=O)N[C@@H]2CCCc3c2cnn3C)cs1 75092101 YGNDAYKPICVRHI-GFCCVEGCSA-N 334.449 1.819 0 40 EDAB O=C(NCc1ccncc1)C(=O)Nc1ccccc1C(=O)NC1CC1 408707694 CEAFKDMHYKHPRJ-UHFFFAOYSA-N 338.367 1.229 0 40 EDAB Cn1cncc1[C@H]1C[C@@H](NC(=O)c2cccc3c2OCO3)CCO1 548342137 LDNGTGPINIMEGQ-XHDPSFHLSA-N 329.356 1.799 0 40 EDAB CC[C@@H](Oc1ccccc1F)C(=O)NCCCN1CCN(C)CC1 177479208 SOSNDCPPPPWUKG-MRXNPFEDSA-N 337.439 1.737 0 40 EDAB CSc1nnc2n(CCC(=O)NC(C)C)c(=O)c3ccccc3n12 33169983 UKLIZEDDBASJSK-UHFFFAOYSA-N 345.428 1.681 0 40 EDAB O=C(CCc1ccccc1)N1CCN(C(=O)CC2(O)CCCC2)CC1 73095544 URHIAILZGLDXST-UHFFFAOYSA-N 344.455 1.985 0 40 EDAB Cc1cc([C@@H](O)CNS(=O)(=O)c2cn(C(C)C)cn2)c(C)o1 1565519901 RSRCCLKOUOOIFB-ZDUSSCGKSA-N 327.406 1.686 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)C2(CN)CN)cc1 218455379 NXXLAGDSIPPKEW-IRXDYDNUSA-N 348.443 1.978 0 40 EDAB Cc1cc(C(=O)NCCCn2cccn2)nc(N2CCCCC2)n1 72239790 ITWNIEJZPHDQRT-UHFFFAOYSA-N 328.420 1.792 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N(C)[C@H]1CCc2ccccc2C1 74678117 VBDOPCPFZABYFP-INIZCTEOSA-N 338.473 1.674 0 40 EDAB CN(c1nc(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)cs1)C1CC1 566538986 PCZZUCVEGHINJZ-ZDUSSCGKSA-N 344.506 1.207 0 40 EDAB COC(=O)[C@H](NC(=O)N1CCN(CCc2ccccn2)CC1)C(C)C 216414276 DHPIXNBCVQHPSJ-MRXNPFEDSA-N 348.447 1.149 0 40 EDAB O=C(Nc1n[nH]c(-c2ccccc2F)n1)c1cc2n(n1)CCCC2 567120212 JETLNXRWCHFZSU-UHFFFAOYSA-N 326.335 2.396 0 40 EDAB COc1cccc(C(=O)N2CC[C@@H](Oc3cnccn3)C2)c1OC 225792534 LRAXFKHEIJHMJV-GFCCVEGCSA-N 329.356 1.787 0 40 EDAB COc1cncc(O[C@H]2CCN(C(=O)COc3cccc(C)c3)C2)n1 225393208 XEWXXTHRUWRNOT-HNNXBMFYSA-N 343.383 1.852 0 40 EDAB O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1cccc(F)c1 224203747 UOMCFSAULVMTLQ-UHFFFAOYSA-N 336.392 1.694 0 40 EDAB O=C(c1cc2n(n1)CCCO2)N1CCC[C@H](Oc2cnccn2)C1 225474825 HSJJJZGHHNPLFK-LBPRGKRZSA-N 329.360 1.139 0 40 EDAB C[C@@H](CCc1ccc(O)cc1)NCC1CCN(S(C)(=O)=O)CC1 136388116 TYLNWZRDYUBCEU-AWEZNQCLSA-N 340.489 1.975 0 40 EDAB C[C@H](C(=O)NCCc1cscn1)n1nnc(-c2ccccc2)n1 80122664 WDLBCVMFJPCMNT-LLVKDONJSA-N 328.401 1.717 0 40 EDAB O=C(NCCN1CCOCC1)NC[C@H]1CCN(Cc2ccccc2)C1 193924142 IUOLXZVLVWXSKG-GOSISDBHSA-N 346.475 1.140 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CC[C@@H](Oc2cnccn2)C1 225793397 HYZLIXHOJPPXBL-DOMZBBRYSA-N 327.340 1.296 0 40 EDAB NS(=O)(=O)c1ccccc1N1CCN(Cc2ccsc2)CC1 191169632 ZKHSOENTMYSJDG-UHFFFAOYSA-N 337.470 1.718 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1cccc(-n2cccn2)c1 96409641 VXKWHOPIJFYMEY-KGLIPLIRSA-N 343.431 1.975 0 40 EDAB CN(Cc1ccco1)C[C@@H]1OC[C@H]2CN(C(=O)NC3CC3)CC[C@H]21 96185362 CBHSRHWEOZOYMR-XYPHTWIQSA-N 333.432 1.920 0 40 EDAB CO[C@H]1CCN(C(=O)c2cc(C)no2)[C@@H]2CN(Cc3ccco3)C[C@H]12 96111083 AQHWEVAFXDHMJV-XHSDSOJGSA-N 345.399 1.938 0 40 EDAB COc1ncccc1CN1CCC[C@](O)(c2cn(C(C)C)nn2)C1 583615078 BCFQIHNLUNQALX-QGZVFWFLSA-N 331.420 1.746 0 40 EDAB Cn1c(O)nc2ccc(C(=O)N(CCC(=O)O)C[C@@H]3CCCO3)cc21 582218234 PJCWOQNPJXXNLI-LBPRGKRZSA-N 347.371 1.375 0 40 EDAB CN(C)CC(=O)N1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 96040132 IVUZTXOXRJTESO-MJGOQNOKSA-N 347.459 1.558 0 40 EDAB Cc1ccc([C@H]2[C@H](C(=O)Nc3cc(C)nn3C)OCC(=O)N2C)cc1 96181414 CLMRAAIMONQTDQ-DLBZAZTESA-N 342.399 1.574 0 40 EDAB Cn1cc(CN2CC[C@@H]3[C@@H](CO[C@@H]3Cc3nnc(C4CC4)o3)C2)cn1 96207387 ASGVIEUPAIRIMO-BZUAXINKSA-N 343.431 1.760 0 40 EDAB COCCS(=O)(=O)NC1CCN([C@H](C)c2ccccc2)CC1 96407713 UCULWPMSPMMWRO-CQSZACIVSA-N 326.462 1.778 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1c(=O)oc2cccnc21 96475833 FDMABEHYDYRFOO-QWHCGFSZSA-N 333.388 1.701 0 40 EDAB Cc1cnc(N2CC[C@@H]3CN(c4ccc(C)nn4)CCO[C@@H]3C2)nc1 96249795 LRHBKQYASVOGNR-HZPDHXFCSA-N 340.431 1.615 0 40 EDAB COCCN1CC[C@H]2O[C@@H](C(=O)N(C)Cc3ccccn3)CC[C@H]21 96187283 KVRZXGCGPHIXRO-BRWVUGGUSA-N 333.432 1.308 0 40 EDAB CN(C)C[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccs3)CC[C@@H]2N1C 96185554 FCDQFUZFPYRIPJ-RDBSUJKOSA-N 343.518 1.393 0 40 EDAB CCS(=O)(=O)N1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 96049093 JNIOXYRBVMGNGM-INIZCTEOSA-N 342.436 1.847 0 40 EDAB CN1C[C@H](C(=O)N2CC[C@H](OCCCc3ccccc3)C2)CC1=O 96456448 ZVDLEUKMQDGEFC-SJORKVTESA-N 330.428 1.715 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)o1 536896157 GBLJBNQIDSJSLJ-SNVBAGLBSA-N 341.414 1.836 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)[C@H]3CCOC3)CC2)N1 96069722 CSVWZCYSHSHLFL-GJZGRUSLSA-N 329.400 1.083 0 40 EDAB Cn1cccc1C(=O)N1CC[C@@H]2OCCN(c3cccnc3)[C@@H]2CC1 96249446 NFGQAZZILPKZQO-AEFFLSMTSA-N 340.427 1.930 0 40 EDAB O=c1c(N2CC[C@@H](OCCN3CCCCC3)C2)nccn1C1CC1 96494554 DOSIQXIZONWQHQ-MRXNPFEDSA-N 332.448 1.659 0 40 EDAB Cc1nnc2n1C[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 97199411 QWLNIUZTOJITNA-CABZTGNLSA-N 334.811 1.567 0 40 EDAB CN(C)C(=O)CO[C@H]1CSC2(C1)CN(CC1CCOCC1)C2 248053471 XWHKSJYQWWJAOA-CQSZACIVSA-N 328.478 1.078 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)C2(c3ccccc3)CCCC2)C1 257338747 YYUUKCKYLDCEJG-MRXNPFEDSA-N 343.471 1.635 0 40 EDAB COCc1c(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)noc1C 257301861 SAGPBSOWTGZFRQ-IIAWOOMASA-N 337.420 1.189 0 40 EDAB Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)Cn4cccn4)C[C@@H]32)nn1 257245297 IOWQDDHRFQEUMF-OWCLPIDISA-N 340.431 1.355 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cccc(-n3cnnc3)c2)n1 257212329 CCWFBPGESGOGMQ-OAHLLOKOSA-N 338.371 1.513 0 40 EDAB CN(C)Cc1cnn(-c2ccccc2C(=O)NC[C@H]2CCCO2)c1 257324228 WNSZNKQSPKAVSN-OAHLLOKOSA-N 328.416 1.843 0 40 EDAB CC1(C)NC(=O)N(CC(=O)N2CCC(Cc3ccncc3)CC2)C1=O 257247420 IYYVLNSEPCFURN-UHFFFAOYSA-N 344.415 1.193 0 40 EDAB Cc1nccc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257242137 IBGIBUTWHFOWQD-GFCCVEGCSA-N 325.415 1.609 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)C[C@H](Cc1cncnc1)CO2 257248422 JDQQCGRYLKQKOR-AWEZNQCLSA-N 339.399 1.521 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CCc1nc(-c2cnsc2)no1 585138053 LGFOTRCIJXADAD-UHFFFAOYSA-N 333.373 1.600 0 40 EDAB O=C(c1ccnnc1)N1CCOC[C@@H](Cc2ccc3[nH]ncc3c2)C1 257214764 CNJCUZGUFMSELX-AWEZNQCLSA-N 337.383 1.684 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@@H](c2cnccn2)C1 257266750 MEIYOFOUOARUGA-MRXNPFEDSA-N 337.383 1.886 0 40 EDAB CC(=O)N1CCN(C(=O)Cn2cc(C)cn2)[C@H](c2ccccc2)C1 257287984 PSHFLPZRLQMRAC-KRWDZBQOSA-N 326.400 1.624 0 40 EDAB Cc1cnnn1C[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1cccnc1 253599535 VHKXRNPCTOSFLP-XHSDSOJGSA-N 327.388 1.301 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)c2ccc3oc(C)cc3c2)CC[C@@H]1O 257276896 NVOQVFJYWADQDY-HOTGVXAUSA-N 330.384 1.843 0 40 EDAB CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)c1ncccc1C 279309602 ABLWEMUVVYHCRG-CQSZACIVSA-N 339.461 1.947 0 40 EDAB Cc1nc(S(=O)(=O)N[C@H](CC2CCCCC2)C(=O)O)cn1C 389794102 INWVVKFHQYPAOK-GFCCVEGCSA-N 329.422 1.430 0 40 EDAB Nc1ccn2ncc(C(=O)N3CC[C@@H](C(F)(F)F)[C@H](N)C3)c2c1 1615547611 OZGNWEILFAWMAP-GHMZBOCLSA-N 327.310 1.268 0 40 EDAB N[C@@H]1C[C@@H]2C[C@@H](C(=O)NCC3CCN(CC(F)(F)F)CC3)C[C@H]21 1615616173 IMHAQJDYEGCFHQ-REWJHTLYSA-N 333.398 1.750 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CCO2)C1 575405108 RBHNYHOWGDZKMT-ILXRZTDVSA-N 336.432 1.041 0 40 EDAB Cc1cc(C)n([C@@H](CNC(=O)c2cccn(C)c2=O)c2ccco2)n1 575605712 RXBOMWARDZNEHF-HNNXBMFYSA-N 340.383 1.811 0 40 EDAB O=C(Cn1ccnc1)N1CCO[C@@](CO)(Cc2ccc(Cl)cc2)C1 585276828 RCXIPVVVIUHDAH-KRWDZBQOSA-N 349.818 1.369 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1cc(C)no1 585288351 WUQMAHBWZYHCRZ-SUMWQHHRSA-N 335.404 1.661 0 40 EDAB Cc1nn(CC(=O)N2CCC(C)CC2)c(=O)c2c1cnn2C(C)(C)C 36665598 QLHXLSJLXMDPNV-UHFFFAOYSA-N 345.447 1.915 0 40 EDAB O=C(NCC(=O)N1CCC(O)CC1)Nc1cccc2ccccc12 48236498 SHNXBSGQYQJZTA-UHFFFAOYSA-N 327.384 1.945 0 40 EDAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cccc(C(N)=O)c1 57992072 MLVKXQFPJKWORW-UHFFFAOYSA-N 325.368 1.771 0 40 EDAB COCc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1F 76053985 LAFYRAFLSDDWIZ-DYVFJYSZSA-N 336.407 1.765 0 40 EDAB Cn1nccc1CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 76041384 ICOXTKLQRLKONU-LJQANCHMSA-N 340.427 1.979 0 40 EDAB CN(C(=O)COC(=O)C=C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 83855720 QWCHEEMODHZHFU-CYBMUJFWSA-N 329.418 1.066 0 40 EDAB C[C@@H](NC(=O)NC[C@H]1COCCO1)c1cccc(N2CCOC2=O)c1 84656095 NZPMFNSLBUSODQ-DOMZBBRYSA-N 349.387 1.419 0 40 EDAB COCCNC(=O)CCNC(=O)c1ccc(F)c(Br)c1 95403473 GKXPVLQEYMRBRX-UHFFFAOYSA-N 347.184 1.471 0 40 EDAB Cc1cc(C)n2nc(C(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C)nc2n1 14001600 MXTPXVFOPIXWJO-GFCCVEGCSA-N 347.419 1.837 0 40 EDAB O=C(CN1CCOCC1)N[C@@H](Cc1ccsc1)c1nccs1 19406491 SIMGMBIYQQKWKP-ZDUSSCGKSA-N 337.470 1.937 0 40 EDAB COc1ccc(Cn2c(=O)[nH]c3c(C(N)=O)nc(C(C)C)nc32)cc1 19453462 FLFMDQLJVKRLAX-UHFFFAOYSA-N 341.371 1.399 0 40 EDAB Cc1nonc1CN(C)C(=O)c1cnc(N2CCC[C@@H](C)C2)nc1 19559138 RHHCMCOTRPPHBZ-LLVKDONJSA-N 330.392 1.677 0 40 EDAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)C1CCOCC1 225793516 QKNSOTFLWDSFIV-UHFFFAOYSA-N 344.459 1.867 0 40 EDAB COc1c(F)c(F)cc(C(=O)N2CC[C@@H](N3CCOC3=O)C2)c1F 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C[C@@H](NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)C(=O)N(C)C 40540945 BTJJIGWCYULHQF-CYBMUJFWSA-N 346.427 1.863 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCCc2cnn(-c3ccccc3)c2)C1 40501604 IKQNOACQCJDPSK-HNNXBMFYSA-N 348.472 1.981 0 40 EDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccc(Cl)s1 40505290 TVGGXSWVUGJBJD-VXGBXAGGSA-N 344.864 1.869 0 40 EDAB COC(=O)[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(C)C 267500 HEAZTECDIDBCLF-ZDUSSCGKSA-N 328.390 1.121 0 40 EDAB Cc1cccc(OCC(=O)N2CCN(C(=O)c3cccnc3)CC2)c1 316964 VKCCLMRNKZOQAI-UHFFFAOYSA-N 339.395 1.753 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)NCCc2nnc3ccccn23)c1C 32830612 YHAGDKXBFBURNF-UHFFFAOYSA-N 325.372 1.849 0 40 EDAB Cc1ccccc1CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 479521 AXLXPHHMABLOFA-UHFFFAOYSA-N 344.392 1.456 0 40 EDAB Cc1oc(-c2cccs2)nc1C(=O)NCC1(C(N)=O)CCOCC1 52744974 SWXZNFMGWDPTQJ-UHFFFAOYSA-N 349.412 1.723 0 40 EDAB COc1cc(C(=O)NCc2ccc(C)nc2N)cc(OC)c1OC 2225 QRYWJFOBXFDERP-UHFFFAOYSA-N 331.372 1.928 0 40 EDAB in-man O=C(c1cncn1-c1ccccc1)N1CCN(C[C@@H]2CCCO2)CC1 22025302 CNWYHEAOMAWROA-KRWDZBQOSA-N 340.427 1.809 0 40 EDAB C[C@H]1CCCCN1CCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 46858722 LDMCKVMPSOBYEB-LSDHHAIUSA-N 333.432 1.619 0 40 EDAB NC(=O)CNC(=O)c1cccc(OC(=O)c2ccc3c(c2)CCO3)c1 69951788 VLBWXLRELBUMDH-UHFFFAOYSA-N 340.335 1.056 0 40 EDAB CC(C)c1nnc2n1CCN(CCNS(=O)(=O)c1ccccc1)C2 69929651 FFHNEKNQMPOZBZ-UHFFFAOYSA-N 349.460 1.196 0 40 EDAB Cc1nccn1[C@H]1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1 69924035 DVYDMHFJDWQBHE-ZDUSSCGKSA-N 340.383 2.000 0 40 EDAB CNC(=O)c1ccc(C)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 103137134 CGIUSGFMOCHOJA-GVARAGBVSA-N 328.368 1.816 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 76055092 BDGKSZCHMNIHHR-DVOMOZLQSA-N 334.464 1.320 0 40 EDAB CNC(=O)NC(=O)CCN(Cc1cccc(F)c1)C[C@H]1CCCO1 53232312 BPSDXFKEMXYMSX-OAHLLOKOSA-N 337.395 1.652 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCC[C@H](n2cncn2)C1 76041455 IYJNHLYFSYSKEX-WFASDCNBSA-N 330.436 1.671 0 40 EDAB CC1(c2cccc[n+]2Cc2ccccc2S(=O)(=O)O)OCCO1 1653682 OHOAWSOHPMKXTQ-UHFFFAOYSA-O 336.389 1.489 0 40 EDAB COc1ccc(NC(=O)CN2CCN(C)C(=O)C2(C)C)c(OC)c1 79074684 SGIFBNHWIRCSHQ-UHFFFAOYSA-N 335.404 1.195 0 40 EDAB OCCOc1ccc([C@@H](Cc2ccccc2)N(CCO)CCO)cc1 2048223 CPZGTZLPRZWQTM-HXUWFJFHSA-N 345.439 1.628 0 40 EDAB CN1N=C(c2ccncc2)[C@H](C(=O)c2ccc3c(c2)CCC(=O)N3)C1=O 103608624 MHVDAGBVVITOMZ-MRXNPFEDSA-N 348.362 1.642 0 40 EDAB C[C@H](c1ccccc1)n1cc(C(=O)NCCCN2CCCC2=O)nn1 4986123 FWBVJJVEOIAIPW-CQSZACIVSA-N 341.415 1.630 0 40 EDAB COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C(C)=O)cc1 7219056 HKGQGYUOIDANRD-AWEZNQCLSA-N 327.402 1.755 0 40 EDAB Cc1noc(-c2ccc(C(=O)N3CCN(CC(C)(C)O)CC3)cc2)n1 69929202 XJLGPQMSCRVNEA-UHFFFAOYSA-N 344.415 1.574 0 40 EDAB CC(C)C(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCN(C)CC2)c1 84370638 BRRWTWJCEQANTQ-CQSZACIVSA-N 332.448 1.856 0 40 EDAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 8476184 BKFYIDPYCHNHHF-UHFFFAOYSA-N 348.424 1.923 0 40 EDAB CN(C)S(=O)(=O)CCCS(=O)(=O)[C@H]1CCCc2ccccc21 105521314 CUZSIUPNQIRBKM-HNNXBMFYSA-N 345.486 1.760 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(Nc2ncccn2)c1 24970961 RDYKMWKLTBFQHI-CYBMUJFWSA-N 332.385 1.137 0 40 EDAB CC[C@H]1CN(Cc2csc(NC(C)=O)n2)CCN1C[C@H](C)O 106929173 SQBULSBPGJLDCP-FZMZJTMJSA-N 326.466 1.379 0 40 EDAB O=C(NC1CCCC1)c1nnc2ccc(N3CCOCC3)cc2n1 57312370 MESBQKNAEOQUNM-UHFFFAOYSA-N 327.388 1.534 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 25325627 QIPGZPIXUPZNDP-CQSZACIVSA-N 330.388 1.524 0 40 EDAB CCOC(=O)/C=C1/SCC(=O)N1CCSc1nnc(N)s1 102898890 CHICVTCINXLFRS-VMPITWQZSA-N 346.459 1.192 0 40 EDAB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)s1 102907997 CBWQETBNSAFLAK-RYUDHWBXSA-N 349.408 1.958 0 40 EDAB CC(C)c1nn(C)c(N(C)C)c1CNCCN1CCCN(C)CC1 58421759 YFTXOUYFMGXLID-UHFFFAOYSA-N 336.528 1.337 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 44362886 VHGXYSOUZUFIHJ-INIZCTEOSA-N 336.457 1.647 0 40 EDAB C[C@H](c1ccsc1)N1CCN(C(=O)NC[C@@H](C)[S@@](C)=O)CC1 108501328 QKYNOACASRHJCK-VJBOLBCHSA-N 343.518 1.903 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 2093209 ZRCISJCHAIJICE-STQMWFEESA-N 347.415 1.319 0 40 EDAB Cc1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1-n1cccc1 44722869 JAWFQQHAXWEGKU-CQSZACIVSA-N 332.425 1.950 0 40 EDAB CNC(=O)[C@H](C)NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 48272127 WSKIDVCATFFNBM-VIFPVBQESA-N 328.328 1.656 0 40 EDAB CC(=O)NCc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 58131886 XEUDSGBOXLJHIP-UHFFFAOYSA-N 346.408 1.979 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCCCn1cnc2ccccc21 48297606 WDIJUNHZGGTWGP-CYBMUJFWSA-N 340.383 1.954 0 40 EDAB O=C(CN1C(=O)c2ccccc2CS1(=O)=O)NC1CCCCC1 58293033 ZYOYZQXUBPLKCU-UHFFFAOYSA-N 336.413 1.421 0 40 EDAB C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1cnn(-c2ccccc2)c1 58281798 QXXZIORWIQBUHN-ZDUSSCGKSA-N 348.428 1.162 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNc2ccc3nccnc3n2)cc1 58289961 UZVCFZZEKOFNDI-UHFFFAOYSA-N 343.412 1.724 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@H]1COc2ccccc2O1 27767630 GRCGCVSMIROJFJ-JTQLQIEISA-N 341.323 1.394 0 40 EDAB Cc1cc(F)ccc1NC(=O)CCn1cnc2c(cnn2C)c1=O 12756915 JDNSSRCNMPZHHP-UHFFFAOYSA-N 329.335 1.606 0 40 EDAB CCCNC(=O)NC(=O)CSc1nc(C)c(C)n1CCOC 55250689 VRXXBXUBTRNGEB-UHFFFAOYSA-N 328.438 1.474 0 40 EDAB CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 44954004 DIRGALDNCDVPMJ-AWEZNQCLSA-N 332.448 1.682 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2cc(F)cc(F)c2)C1 58330473 OZQFGRCBKCWNIA-GFCCVEGCSA-N 346.399 1.295 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cc2ccc(F)cc2)CC1 58392013 DVWGNGNFBJRTTJ-MRXNPFEDSA-N 333.407 1.309 0 40 EDAB Cc1cc2n(n1)C[C@H](CNCc1ccnc(-n3ccnc3C)c1)CN2 58325236 WBKMVCTZUPIERR-MRXNPFEDSA-N 337.431 1.912 0 40 EDAB Cc1cc(COC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)no1 45838659 BBELBVDVQXQQMW-NSHDSACASA-N 344.323 1.808 0 40 EDAB Cc1cc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c(C)s1 46050702 PUGFYGMUTZISBC-ZBFHGGJFSA-N 338.473 1.832 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NCc1ccc(N2CCOCC2)nc1 48357789 GKUCWYPAJYGSLH-AWEZNQCLSA-N 344.419 1.003 0 40 EDAB CCc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C3OCCO3)C=C[C@H]2O1 409308227 WPRHYGNFGCGTBR-DEXNDLTESA-N 341.363 1.435 0 40 EDAB C[C@@]1(NC(=O)COc2ccc(F)cc2Cl)CCS(=O)(=O)C1 12945617 FEIHSDIBNKIRBE-CYBMUJFWSA-N 335.784 1.551 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)c1[nH]nc(C(C)C)c1Br 65553863 WGPXTMAJWQLNHK-MRVPVSSYSA-N 345.241 1.940 0 40 EDAB CC(C)[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1cccs1 14188365 BINLOIDNZBMNFG-KIUWMYQTSA-N 347.440 1.672 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H](C)n2c(=O)oc3ccccc32)c(=O)[nH]1 14317730 GQTDIFHCZRMNIJ-GFCCVEGCSA-N 341.367 1.777 0 40 EDAB O=S1(=O)C[C@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@H]2C1 6661747 LSDQQQCPBZFCSX-ZJUUUORDSA-N 336.360 1.566 0 40 EDAB Cc1ccc(-n2nnnc2S[C@@H](C(=O)NC(N)=O)C(C)C)c(C)c1 4768192 PTYGKPPEUKGBJL-GFCCVEGCSA-N 348.432 1.591 0 40 EDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1ccc(Br)cc1 6719353 WPOMZPKAPJRDOQ-VHSXEESVSA-N 347.259 1.309 0 40 EDAB COc1ccc(CNC(=O)c2cc(C)nc3c2c(C)nn3C)cn1 14900219 PYQFRDJYWKJRSQ-UHFFFAOYSA-N 325.372 1.919 0 40 EDAB O=C(c1ccc(Cn2ccccc2=O)o1)N1CCC2(CC1)OCCO2 24998251 CYCXTVMIJYWXBA-UHFFFAOYSA-N 344.367 1.469 0 40 EDAB Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2nncn2C)N(C)C)cc1 67704949 ANPWRMXWSODHET-ZFWWWQNUSA-N 330.436 1.787 0 40 EDAB NC(=O)C1CCN(CC(=O)NCCOc2ccc(Cl)cc2)CC1 7459392 JLNPXDJIJKRIAK-UHFFFAOYSA-N 339.823 1.032 0 40 EDAB CCCCn1c(N)c(N(CC)C(=O)NC(C)(C)C)c(=O)[nH]c1=O 8328572 CLLHIFCAFHNRSW-UHFFFAOYSA-N 325.413 1.253 0 40 EDAB C[C@H](c1ccccc1F)N(C(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 69455361 TYEDJPKXOSBMLG-LLVKDONJSA-N 331.347 1.428 0 40 EDAB O=C(CN1CCCC[C@H]1C1OCCO1)NC(=O)NCc1ccccc1 69464861 NJESSBZDZQYFDZ-HNNXBMFYSA-N 347.415 1.240 0 40 EDAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2COc3ccccc3O2)C1 69558214 OKZHXNOYGYTNOE-RHSMWYFYSA-N 346.427 1.837 0 40 EDAB COC(=O)CCNC(=O)c1occc1CN1C(=O)Cc2ccccc21 69599664 QNTDVTPCMKKQCX-UHFFFAOYSA-N 342.351 1.662 0 40 EDAB COC(=O)CN(C)C(=O)CCN1CCC([C@H](O)c2ccccc2)CC1 69589037 TVLCWDVBVUSHBV-LJQANCHMSA-N 348.443 1.454 0 40 EDAB NC(=O)[C@H](NC(=O)[C@H]1CCCN(c2ccccn2)C1)c1ccccc1 71820858 RMEORROVRHGPPQ-DOTOQJQBSA-N 338.411 1.641 0 40 EDAB COC(=O)c1cc2ccccc2cc1NC(=O)C1CC(=O)NC(=O)C1 71888308 QBJYCPYZLNQGLQ-UHFFFAOYSA-N 340.335 1.618 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 71870145 LDVMRBOIKMAJTQ-GOEBONIOSA-N 330.432 1.502 0 40 EDAB CC[C@H](Sc1ccccc1)C(=O)N1CCCN(CC(N)=O)CC1 71896190 JNXZDQHXRASIRQ-HNNXBMFYSA-N 335.473 1.577 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccn(-c2cccc(F)c2)n1 71829448 NFRNMMRBZWWPFC-NWDGAFQWSA-N 330.363 1.737 0 40 EDAB CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCNC(=O)CC1 71839466 CMRTVGOLRVYOEV-OAHLLOKOSA-N 326.343 1.717 0 40 EDAB CSc1cc2c(cc1NC(=O)NCC(=O)NC1CC1)OCCO2 71854000 QESPCSYPTIJXIR-UHFFFAOYSA-N 337.401 1.580 0 40 EDAB CCc1n[nH]c([C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)n1 83830162 BRTFFNXMIWPGGB-ZDUSSCGKSA-N 340.387 1.177 0 40 EDAB COc1ccc(OCCS(=O)(=O)Nc2cccnc2OC)cc1 71916553 IIFAQPJGDGYWTQ-UHFFFAOYSA-N 338.385 1.920 0 40 EDAB CCOC(=O)[C@@H](CC)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 71924071 OFQIZFKCVQJGDK-HZPDHXFCSA-N 339.480 1.347 0 40 EDAB CCCN(CC(=O)O)C(=O)[C@@H]1CCCN(C(=O)N(CC)CC)C1 95424623 ADXYOBWKGQADLE-CYBMUJFWSA-N 327.425 1.483 0 40 EDAB Cc1cnn(CC(=O)N[C@@H](C)c2ccc(-n3c(C)c[nH]c3=O)cc2)c1 84068179 MVLJZXCIIPJMOT-AWEZNQCLSA-N 339.399 1.856 0 40 EDAB NC(=O)[C@@H](NC[C@H]1CCCN1c1cccnn1)c1ccc(F)cc1 72276748 WZROXINLSVHWNB-ZBFHGGJFSA-N 329.379 1.401 0 40 EDAB O=C(CCCOc1ccccc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269473 DIWFDQCHPYHNMR-ROUUACIJSA-N 332.444 1.903 0 40 EDAB O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)N1CCCN(C(=O)C2CC2)CC1 97103216 LSSGVKUINDNFSE-RCCFBDPRSA-N 339.439 1.979 0 40 EDAB O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)Cc1ccc[nH]1 95445125 DSWRBROFIWAWBX-OAHLLOKOSA-N 329.425 1.775 0 40 EDAB C[C@H](CNC(=O)N1CCCC[C@H]1CN1CCOCC1)Cn1cccn1 73815079 WENZKLHJGLKIEA-SJORKVTESA-N 349.479 1.416 0 40 EDAB O=C(CN1Cc2ccccc2C1)NCC1(N2CCOCC2)CCCC1 95972813 KYPQZZDOXXXAPX-UHFFFAOYSA-N 343.471 1.763 0 40 EDAB CCOC(=O)[C@](C)(O)CNC(=O)CCCc1ccc(OC)c(F)c1 95942046 NZCQCEQXXPMZOR-QGZVFWFLSA-N 341.379 1.587 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H](CNC(=O)C(C)(C)C)C1 75137759 UJKJOEPIPMWTNE-CQSZACIVSA-N 349.479 1.839 0 40 EDAB CC[C@@](C)(NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1nc(C)cs1 75146760 ORLCGRHYUJJOGY-ZWNOBZJWSA-N 331.463 1.563 0 40 EDAB C[C@H]1CN(C)CCN1CC(=O)NCc1ccccc1OC(F)(F)F 89939098 YVJDDEKENNNSNK-LBPRGKRZSA-N 345.365 1.837 0 40 EDAB CC(=O)N1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306138826 SIHYPJIFDQULDY-CQSZACIVSA-N 329.404 1.292 0 40 EDAB Cc1nnc(N2CCN(c3ncncc3Br)CC2)s1 1548523036 LPBQPDVPBWKOCN-UHFFFAOYSA-N 341.238 1.726 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1C 60512636 PLJWNLBPGIXQOS-LBPRGKRZSA-N 340.445 1.729 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1C 408649937 FHXCHGPMRWLCHB-VTQNTBAGSA-N 343.379 1.983 0 40 EDAB O=C(Cn1c2c(sc1=O)CCCC2)NC[C@@H]1Cc2ccccc2O1 68052317 VPRSGXJPILYORU-ZDUSSCGKSA-N 344.436 1.909 0 40 EDAB COC[C@H](C)NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 408620246 NMWGURDXINRGDI-RYUDHWBXSA-N 344.433 1.001 0 40 EDAB Cc1nn(CCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c(C)c1Cl 35670951 TUBBNEMNBDXTIE-RYUDHWBXSA-N 325.796 1.937 0 40 EDAB CCOC(=O)c1cn(C)cc1NC(=O)c1cc(Cn2cccn2)on1 1520639999 NYFUZOQGIGOYAQ-UHFFFAOYSA-N 343.343 1.687 0 40 EDAB Cc1cccnc1NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 75164243 BMLNQKOAHZXXRI-HNNXBMFYSA-N 325.368 1.756 0 40 EDAB O=S(=O)(NC[C@@H](c1ccco1)N1CCCC1)N1CCCCC1 42669655 KBHQLBWZUNRMQK-AWEZNQCLSA-N 327.450 1.737 0 40 EDAB CN(Cc1ccncc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 42678529 NWRSCFICNARHMY-UHFFFAOYSA-N 331.397 1.787 0 40 EDAB N[C@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218060951 CPMGZWJFQHDAPZ-OWCLPIDISA-N 337.828 1.970 0 40 EDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccn3C)C2=O)o1 33745147 UKMSBGGLALVAKB-WQLSENKSSA-N 329.312 1.498 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)CCc2cc(OC)no2)n1 79493624 OSAJVCRVKYDOOA-UHFFFAOYSA-N 339.373 1.817 0 40 EDAB C=COCCNC(=O)Cn1nc(CC)n2c(cc3ccsc32)c1=O 72334584 JQUMUABLCNDYCQ-UHFFFAOYSA-N 346.412 1.549 0 40 EDAB COC(=O)NCC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 79335681 UTLRFQIGGVXWBX-UHFFFAOYSA-N 343.424 1.686 0 40 EDAB NC(=O)C1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 32170226 KXWINOFFRZWAOC-UHFFFAOYSA-N 330.306 1.808 0 40 EDAB CCN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(F)c2)CC1 72241924 RKKDHZDEKMZPFY-FUHWJXTLSA-N 347.434 1.899 0 40 EDAB Cc1occc1CNC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 78878090 QNBFYKBSWIQTRI-UHFFFAOYSA-N 340.376 1.907 0 40 EDAB CSCC[C@@](C)(O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 75157581 IKKYNLINRRNEOJ-CQSZACIVSA-N 347.458 1.240 0 40 EDAB CCc1nsc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 72836190 BONMWDDTJQNGOA-CQSZACIVSA-N 331.445 1.449 0 40 EDAB NC(=O)c1ccccc1OCc1noc(C(=O)NCc2ccco2)n1 40267349 YXEMQNOKLFSQLS-UHFFFAOYSA-N 342.311 1.271 0 40 EDAB COC(=O)[C@@H](CCSC)NC(=O)c1cnn(C)c1-n1cccc1 80329330 UQFCIROJRYXHMS-GFCCVEGCSA-N 336.417 1.235 0 40 EDAB CC[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1OC 41096265 ILAXYLHVNINEKZ-VIFPVBQESA-N 338.223 1.507 0 40 EDAB COc1ccc(CNC(=O)NCCCc2cnc3ncnn3c2)cc1 225646001 YUACBWQGXWDEGH-UHFFFAOYSA-N 340.387 1.565 0 40 EDAB Cc1ccc(NC(=O)NCCN2CCN(c3ncccn3)CC2)cc1 47323724 VEXMOKYGNBPIQL-UHFFFAOYSA-N 340.431 1.729 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCCn1cccc1 225480240 NBVVTSMCJVRJCY-QWHCGFSZSA-N 325.384 1.952 0 40 EDAB O=C([C@@H]1CCc2[nH]cnc2C1)N1CCN(Cc2ccccn2)CC1 225510957 RTJSJBBIHREZPK-CQSZACIVSA-N 325.416 1.254 0 40 EDAB Cn1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 96159120 VEBQAZVCYZHRGX-UHFFFAOYSA-N 340.427 1.818 0 40 EDAB CCC(CC)C(=O)N1CCC2(CC1)COCCN2CCN(C)C 96226195 HUHWOSUURGPMRQ-UHFFFAOYSA-N 325.497 1.678 0 40 EDAB CC(C)NC(=O)N1C[C@H]2CC[C@@]3(NC(c4ccccc4)=NC3=O)[C@H]2C1 96261704 SAMXAVBERIWQLW-ZRGWGRIASA-N 340.427 1.762 0 40 EDAB O=C(Cc1ccccc1)N1CCO[C@@]2(COCCN(CC3CC3)C2)C1 96228914 VBMFBTLENCTUHN-HXUWFJFHSA-N 344.455 1.569 0 40 EDAB Cn1cc(CN2CC[C@@]3(CCCN(c4ncc(F)cn4)C3)C2)cn1 96158298 GOWZBGRTYSVZKS-KRWDZBQOSA-N 330.411 1.842 0 40 EDAB CNS(=O)(=O)CC(=O)NC[C@H](C)c1cccc(C(F)(F)F)c1 97227451 OPGILDHGCRABJO-VIFPVBQESA-N 338.351 1.474 0 40 EDAB CCOC(=O)CCCn1nc(C(=O)OCC)cc1C(=O)OCC 91696046 UVJVCRZXTMTNJA-UHFFFAOYSA-N 326.349 1.580 0 40 EDAB CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1cccc(OC)c1)CC[C@H]2OC 96108524 LCXQWQZDOBIRPL-RCCFBDPRSA-N 332.444 1.805 0 40 EDAB O=C(NC[C@H](O)c1ccco1)[C@H](c1cccc(F)c1)N1CCOCC1 96436066 LJCGKFSKYBULGW-RDJZCZTQSA-N 348.374 1.642 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1cc(Cl)c3c(c1)OCCO3)CC2 97198989 XOFJYYPIJGRUJX-LLVKDONJSA-N 348.790 1.756 0 40 EDAB Cc1nsc(N2CCN(CC(=O)N(C3CC3)[C@H](C)C3CC3)CC2)n1 96452033 JNWZSGNROZHPFV-GFCCVEGCSA-N 349.504 1.758 0 40 EDAB COC(=O)C[C@H]1Cc2ccccc2N1CC(=O)NC[C@H]1CCCO1 583651414 MRTRJIDOVFWABE-HUUCEWRRSA-N 332.400 1.276 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)NC3CCC3)O[C@@H]2C1 96042757 GRORQSJMZPMXQQ-IAOVAPTHSA-N 333.432 1.940 0 40 EDAB Cn1ncc2c(N)nc(N3C[C@H](O)C[C@H]3c3ccc(F)cc3)nc21 581831717 WMCLYJINGFCSCY-YPMHNXCESA-N 328.351 1.397 0 40 EDAB Cc1ccc(NC[C@H]2CO[C@]3(COCCN(C(=O)C4CC4)C3)C2)nn1 96240569 QFICVPYDVIMRMO-KBXCAEBGSA-N 346.431 1.241 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(Cc1cccnc1)C2)NCc1ccco1 96209236 ODZVBNSYCNQJOB-APWZRJJASA-N 341.411 1.830 0 40 EDAB CS(=O)(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 90582827 PTMSNKIZMKNIMW-UHFFFAOYSA-N 327.387 1.306 0 40 EDAB CCOC(=O)[C@H]1CSCN1C(=O)CCNC(=O)OC(C)(C)C 585079712 YLRSDBWBXCKXSV-SNVBAGLBSA-N 332.422 1.366 0 40 EDAB CCOC[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)CC 242648756 RGFUOFHQFTZYBK-BZUAXINKSA-N 341.429 1.297 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)NC1CCCCCC1 245230385 QJCXTFPFAWZWOQ-WKLICJCCSA-N 342.439 1.879 0 40 EDAB CCNc1nc(C)c(C(=O)N2CCC[C@](O)(CN(C)C)CC2)s1 257335798 YLXVZOGHARFBTM-MRXNPFEDSA-N 340.493 1.802 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)c3n[nH]c(=O)c4ccccc34)CCO2)n1 257294824 QVWRZCTWHJWJNC-CYBMUJFWSA-N 339.355 1.168 0 40 EDAB CC(=O)N1CCC(c2nccnc2CNC(=O)c2ccno2)CC1 257316116 VEEIAXYSPUZYBH-UHFFFAOYSA-N 329.360 1.121 0 40 EDAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)Cc2c(C)nc3ccccn23)[C@H]1O 257216950 CWURZYQSPIODQS-IDHHARJASA-N 345.443 1.962 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3snnc3C(C)C)CCO2)n1 257298654 RMUATLROUBFNDS-JTQLQIEISA-N 349.416 1.679 0 40 EDAB CCc1noc(C)c1C(=O)N1CCO[C@H](CCc2ccncn2)C1 257295862 RAEKVPPXXAXKOK-CQSZACIVSA-N 330.388 1.809 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1nccn1C(C)C 257275135 NOBBQAHQQOKBIA-KRWDZBQOSA-N 328.420 1.491 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1cccc(-c2ccnn2C)n1 257231926 GITBOBQAFIRYCF-OAHLLOKOSA-N 335.433 1.425 0 40 EDAB Cc1c(CCC(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)cnn1C 257259248 KXMUSHOYUCLRHP-JKSUJKDBSA-N 332.448 1.521 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)Cc2ccc(F)c(F)c2)CCO1 257327195 XAJOJSUZHRURRC-CQSZACIVSA-N 348.353 1.939 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 253494445 XNKSDWIXQXVGOP-AWEZNQCLSA-N 326.418 1.039 0 40 EDAB CN(C(=O)COc1ccc2c(c1)CCCC2)[C@@H]1CCC[C@@H](O)[C@@H]1O 257322036 WEIJEYACNJCEOA-ZHALLVOQSA-N 333.428 1.677 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)c3cccc(O)n3)CCN2C)cc1 257322683 WGYSXRYLNVVGGP-INIZCTEOSA-N 327.384 1.925 0 40 EDAB O=C(O)C[C@H]1COCCN1C(=O)c1ccc(OC2CCOCC2)cc1 263257984 FVHKCPRLUACGOJ-AWEZNQCLSA-N 349.383 1.560 0 40 EDAB O=C1NC2(CCSCC2)C(=O)N1Cc1cn(-c2ccccc2)nn1 590450899 WXYARCILIDEPTJ-UHFFFAOYSA-N 343.412 1.585 0 40 EDAB CN(CC(=O)OC(C)(C)C)C(=O)c1cc(N2CCOCC2)ccn1 275829653 LLMLOSLMLPVXJK-UHFFFAOYSA-N 335.404 1.332 0 40 EDAB CN1CCCN(CCCNC(=O)c2ccnc(-n3cccn3)c2)CC1 606845927 MGMDGSNWNNQIKY-UHFFFAOYSA-N 342.447 1.025 0 40 EDAB O=C(NCCC1CCN(c2ccncc2)CC1)c1cc(O)cc(O)n1 1615557595 UTKJUEPPNNPTBK-UHFFFAOYSA-N 342.399 1.924 0 40 EDAB C[C@@H](C(=O)NS(=O)(=O)c1ccsc1)N(C)CC(F)(F)F 390833518 IQYJNJJXXYQEOC-ZETCQYMHSA-N 330.353 1.436 0 40 EDAB Cc1ccc(C)c(OCC(=O)NCCn2nc3c(cc2=O)CCC3)c1 575607886 KWHSEVBTVYLWKP-UHFFFAOYSA-N 341.411 1.544 0 40 EDAB CCCn1ncc(C(=O)N2CCc3nc(N)ncc3C2)c1C1CC1 570590932 ZJIGIZARGIOFAG-UHFFFAOYSA-N 326.404 1.741 0 40 EDAB C[C@@]1(NCCNC(=S)Nc2ccccc2)CCS(=O)(=O)C1 575423161 YMPJFDURSBYXJW-CQSZACIVSA-N 327.475 1.140 0 40 EDAB C/C=C/C=C/C(=O)O[C@@H]1CCC=C[C@H](O)[C@H](O)[C@@H](CCC)OC1=O 585660635 TXPRZPDVUZCNLB-PFVMJPKTSA-N 338.400 1.814 0 40 EDAB biogenic,in-vitro COCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2cccs2)C1 585095856 PLOJXJBTHMAYNR-CYBMUJFWSA-N 348.428 1.181 0 40 EDAB CC(C)C(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@@H]1C 585096269 DNWHQNZXQAWCJC-LBPRGKRZSA-N 330.388 1.965 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)Cc2ccc3ccccc3c2)[C@@H]1O 585285578 PGTZPCIFGZIPQV-LMMKCTJWSA-N 329.396 1.521 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1cn2c(C)cccc2n1 585279641 WMSYVNHDSZERJK-SFHVURJKSA-N 344.415 1.400 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)C[C@@H]1CCCC(F)(F)C1 585139886 WEKKUPNQQXBRON-LLVKDONJSA-N 326.409 1.600 0 40 EDAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2cnc(C)nc2C)C1 585277479 MDHCVJNPHAEJKL-QGZVFWFLSA-N 334.420 1.241 0 40 EDAB Cc1ccccc1C(=O)N1C[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 585108024 WLGZRHNEIBYXLX-DOTOQJQBSA-N 338.411 1.762 0 40 EDAB Cc1nc(CCNC(=O)N[C@@H]2CCCc3c2cnn3CCO)cs1 65449123 KQVSYILHDWXJSN-CQSZACIVSA-N 349.460 1.560 0 40 EDAB O=S(=O)(NCCNCc1ccccn1)c1cccc(Cl)c1 65978239 ITXMHUSIOJSWGQ-UHFFFAOYSA-N 325.821 1.803 0 40 EDAB OCCN1CCN(CCCCNc2ccc(C(F)(F)F)cn2)CC1 69946442 YVAOZZIAWRIBQE-UHFFFAOYSA-N 346.397 1.902 0 40 EDAB O=S(=O)(NCC1(O)CCOCC1)c1ccc2c(c1)CCCC2 70638947 XRJJCAAFBQILRH-UHFFFAOYSA-N 325.430 1.385 0 40 EDAB Cc1cc(Br)ccc1S(=O)(=O)NCC(=O)N(C)C 133236481 DQFNJFWZZXTFGT-UHFFFAOYSA-N 335.223 1.124 0 40 EDAB COc1cccc(C(=O)N[C@@H](C)Cn2nc3c(cc2=O)CCCC3)c1 72325030 YNWGLCBHFWLIPL-ZDUSSCGKSA-N 341.411 1.949 0 40 EDAB C[C@@H](CNC(=O)N1CCC2(CC1)CNC(=O)C2)Oc1ccccc1 74221659 GVENQHVAPGOYEJ-AWEZNQCLSA-N 331.416 1.766 0 40 EDAB C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@H](N2CCOCC2)C1 89574059 ZVWWQGOJCWOYPB-OLZOCXBDSA-N 338.839 1.469 0 40 EDAB COCCOc1c(Cl)cccc1NC(=O)N1CCNC(=O)C1 83911764 GFGYBSKQUZOJSG-UHFFFAOYSA-N 327.768 1.329 0 40 EDAB C[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 104697317 PJGNTUACQIYPDK-PWNZVWSESA-N 341.411 1.631 0 40 EDAB CS(=O)(=O)N1CC[C@H]2CC(=O)Nc3cccnc3OCC[C@H]2C1 1534646904 VODSZZADWMBUGS-RYUDHWBXSA-N 339.417 1.090 0 40 EDAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2nc(C)n(-c3ccccc3)n2)[C@H]1O 1615075257 DDLXVZLYLMOJDB-RBSFLKMASA-N 330.388 1.186 0 40 EDAB O=S(=O)(NCC1CC1)c1cccnc1N[C@@H]1CCCOCC1 1615045867 JEQSQZSPNWYKII-CYBMUJFWSA-N 325.434 1.751 0 40 EDAB CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C]1O)C1=C(C[C@H]3C)C1(C)C 1560408728 GRQAENCQUYTQCI-VCQJUBLQSA-N 345.415 1.423 0 40 EDAB CC(C)[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1)C(=O)O 5007674 LHCKVTPMAGSYGW-TZIYXEQSSA-N 346.339 1.869 0 40 EDAB NC(=O)[C@H](CCC(=O)c1ccccc1)S(=O)(=O)c1ccccc1 5946369 RCQKLAFCKIXTOO-INIZCTEOSA-N 331.393 1.977 0 40 EDAB C[C@H](NC(=O)C1Oc2ccccc2O1)c1nc(-c2cccnc2)n[nH]1 12191790 CGDZVBKPASDTTH-JTQLQIEISA-N 337.339 1.841 0 40 EDAB Cc1nc(C)n(CCNC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)n1 12195666 LDNFNYNHVHBGOK-QGZVFWFLSA-N 327.388 1.594 0 40 EDAB COc1ccccc1C(=O)NCCC(=O)O[C@@H](C)C(=O)N1CCCC1 12803652 FCJXSCFXRPKTTA-ZDUSSCGKSA-N 348.399 1.369 0 40 EDAB CNC(=O)OCc1nc(SC(C)C)n(C)c1COC(=O)NC 13215308 ZGIWZCNUWYHETD-UHFFFAOYSA-N 330.410 1.633 0 40 EDAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc3[nH]nnc3c2)c1 16498689 SPAWTUCMLHLRPQ-UHFFFAOYSA-N 339.355 1.677 0 40 EDAB CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)C2 19767325 IDVCDUIAFGNMMW-OAHLLOKOSA-N 343.406 1.769 0 40 EDAB CN(C)c1nc(CNC(=O)Nc2cccs2)nc(N2CCCC2)n1 575605098 HTFNPXQUGNYTRX-UHFFFAOYSA-N 347.448 1.921 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 585149490 AVDKBMZKOGJRFP-HOTGVXAUSA-N 335.492 1.872 0 40 EDAB CN1CCC(N(C)CC(C)(C)NS(=O)(=O)c2ccccc2)CC1 3178776 REALNDPRVXPCGQ-UHFFFAOYSA-N 339.505 1.770 0 40 EDAB CCN(CC)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 5975753 GNCZMFXFSSQLQG-UHFFFAOYSA-N 339.461 1.751 0 40 EDAB COc1cc(NC(=O)NC2CN(C3CCOCC3)C2)cc(OC)c1 1888856943 YMEJJAGGRUHGPV-UHFFFAOYSA-N 335.404 1.689 0 40 EDAB O=C1[C@H]2CN(c3ncnc4[nH]ccc34)C[C@@H]2C(=O)N1c1ccccc1 1888890158 HAQNFYCONLENEO-KBPBESRZSA-N 333.351 1.584 0 40 EDAB CCn1cc(CNC(=O)c2nn(CC)cc2Br)cn1 28234716 VRSPVAWGOIQOBD-UHFFFAOYSA-N 326.198 1.812 0 40 EDAB Cc1csc(C(=O)N2C[C@@H]3OCCN(c4ncccn4)[C@H]3C2)c1 2056224639 NCLMXNZVMCIVKH-STQMWFEESA-N 330.413 1.576 0 40 EDAB COCCN1CCC2(CC1)CN(C(=O)Cc1ccccc1)CCO2 949125848 ADUVGPZCPZLOGM-UHFFFAOYSA-N 332.444 1.569 0 40 EDAB Cc1onc(C(=O)N2CCN(C)CC2)c1C(=O)Nc1nccs1 50399908 PNOIBVIYGKKKGM-UHFFFAOYSA-N 335.389 1.079 0 40 EDAB CN1CCO[C@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)CC[C@H]2C1 1565552995 GEVYRWSMVBRPJC-WFASDCNBSA-N 348.834 1.780 0 40 EDAB Cn1ccc(CN2C[C@H]3CN(c4ncccc4F)C[C@H]3C2)cc1=O 2086850129 GLDCBPGZYQFAJV-GASCZTMLSA-N 328.391 1.488 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)NCC(=O)OCc1ccccc1 585149568 HBJIWCAWLQKDTC-ZFWWWQNUSA-N 332.400 1.254 0 40 EDAB COC[C@](O)(CNC(=O)NCCOc1ccccc1)c1ccccc1 575610289 VDRFCLGJJDQRBH-LJQANCHMSA-N 344.411 1.899 0 40 EDAB Cn1ncnc1CN1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1 2298188585 BBDMXKREXBPXEL-GFCCVEGCSA-N 327.379 1.285 0 40 EDAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)Cc1cn(C)c2ccccc12 111142746 AKIQDKUPMSYVKT-CJNGLKHVSA-N 330.384 1.510 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)/C=C/c2ccc(F)cc2)CC1 40058023 NXPMEHVTIVLQFF-VMPITWQZSA-N 326.393 1.333 0 40 EDAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cnn(-c2ccccc2)n1 40542966 GKAJIQIKBUHVCV-UHFFFAOYSA-N 339.355 1.501 0 40 EDAB C[C@H]1CN(c2ccccc2NC(=O)NCC(=O)N(C)C)C[C@H](C)O1 40555103 COEAORXWBQNNGC-STQMWFEESA-N 334.420 1.510 0 40 EDAB O=C(CCc1nc(Cc2ccccc2)no1)N[C@@H]1CCCCNC1=O 40533897 SWSOHZBJBTZFHK-CQSZACIVSA-N 342.399 1.378 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)n(C)n1 40512294 DIRRYYXHMDABOR-LLVKDONJSA-N 342.355 1.449 0 40 EDAB COc1ccccc1-n1nnc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 32633747 LOLZLLUKGBCOAT-RYUDHWBXSA-N 330.388 1.834 0 40 EDAB C[C@@H]1C[C@@H](OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C(=O)O1 32736480 APFIMRKBMGQACN-IAQYHMDHSA-N 349.358 1.925 0 40 EDAB CCc1noc(CSc2nnnn2-c2cccc(NC(C)=O)c2)n1 32772358 LCZINLUEBNMJHM-UHFFFAOYSA-N 345.388 1.858 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCN2CCCC[C@@H]12 60573340 ARXGJHOUZVTSEY-GJZGRUSLSA-N 336.457 1.837 0 40 EDAB Cc1ccc(OCC(=O)NC(=S)Nc2ccccc2C(N)=O)cc1 513611 PBIKOQKWQOEVDQ-UHFFFAOYSA-N 343.408 1.986 0 40 EDAB CCOCc1ccccc1CNC(=O)NC[C@H]1CCS(=O)(=O)C1 46892292 BJEICRFUQKVGOK-CYBMUJFWSA-N 340.445 1.457 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)n1 78888996 DDWIKHGMUMURBD-CYBMUJFWSA-N 342.403 1.809 0 40 EDAB CC(C)n1ccc(CC(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1 78901711 TYTXHFRXXDFMSE-LBPRGKRZSA-N 344.419 1.235 0 40 EDAB CN(C)c1cc(C(=O)N2CCC(N(C)c3cccnn3)CC2)ccn1 69893366 LTWKXXBIZPDBFS-UHFFFAOYSA-N 340.431 1.679 0 40 EDAB Cc1cccc(C)c1NC(=O)CSc1nnc2[nH]c(=O)c(C)nn12 4251392 YQDRCKFGEQJLJF-UHFFFAOYSA-N 344.400 1.469 0 40 EDAB COC[C@H](C)N1CCN(C(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)CC1 69846629 VKRXLZOCWSVWBY-GOEBONIOSA-N 348.443 1.836 0 40 EDAB O=C(Cn1nc(O)c2ccccc2c1=O)OCC(=O)c1ccccc1 4278443 BJEKMFIYLDIIFL-UHFFFAOYSA-N 338.319 1.528 0 40 EDAB O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)c1ccc(=O)[nH]c1 42042969 IWUNTRMZNYTSQN-CQSZACIVSA-N 343.408 1.206 0 40 EDAB Cc1ccc(CSCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 22548272 GKWPSQSODGVPDA-OAHLLOKOSA-N 327.471 1.922 0 40 EDAB Cc1noc(C)c1CNC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 104275158 ISFAFFQBZGTMNI-INIZCTEOSA-N 333.392 1.482 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1scnc1C 104470316 SVELTURAIMPXJP-LLVKDONJSA-N 331.463 1.272 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)NCC(C1CC1)C1CC1 96439857 NFALVERJBFFQOY-UHFFFAOYSA-N 343.431 1.622 0 40 EDAB Cc1n[nH]c(C)c1CNC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 96485900 AFOUVKQADCFGRR-VIFPVBQESA-N 333.358 1.805 0 40 EDAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)Nc1cc(C)no1 24238516 ZLKIPUAGRYLRSC-UHFFFAOYSA-N 349.343 1.837 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 43050691 CGOGSIVFEXIDLT-AWEZNQCLSA-N 342.399 1.406 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NC(=O)c1cc(F)cc(Br)c1 71888280 LWPCBTHQOCBYRA-UHFFFAOYSA-N 341.140 1.971 0 40 EDAB Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ncnc3nc[nH]c23)c1N 24876681 YTXGTEGGYZMAOK-SECBINFHSA-N 340.343 1.428 0 40 EDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccoc1 55395086 WYHNDAASSPETBV-CQSZACIVSA-N 341.367 1.179 0 40 EDAB COCCN1CC[C@]2(CCCN(C(=O)c3cc(C)n[nH]3)CC2)C1=O 108528796 VKVBPMHLEOIRQH-QGZVFWFLSA-N 334.420 1.209 0 40 EDAB O=C(CCc1nc(-c2ccccn2)no1)N1CCO[C@H]2CCC[C@@H]21 56197870 OIXMRUIYTVIVGY-KBPBESRZSA-N 328.372 1.844 0 40 EDAB COC(=O)CCCCCNC(=O)Cc1nnn(-c2ccccc2)c1C 57139241 HGBCRTSNLIHTSL-UHFFFAOYSA-N 344.415 1.968 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Cn1[nH]cc3c(=O)ncnc1-3)C2 108076113 IANPXHGCVZCACZ-ZMNCSTGQSA-N 329.404 1.402 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)C3(c4cccc(F)c4)CCC3)CC2)N1 27094022 RZCFXZMEVVHDHU-UHFFFAOYSA-N 345.374 1.448 0 40 EDAB Cn1nccc1CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 48268112 LZVJIBABGFGOQS-CYBMUJFWSA-N 334.401 1.138 0 40 EDAB CCn1cnnc1CNC(=O)c1nc(N2CCCCC2)ncc1Cl 48235734 WSSLMXCIJNYQBN-UHFFFAOYSA-N 349.826 1.662 0 40 EDAB CCCn1ccnc1SCC(=O)NCC(C)(C)N1CCOCC1 22133845 OEXFSRGTPOOZCA-UHFFFAOYSA-N 340.493 1.612 0 40 EDAB O=C(NCCCOC[C@@H]1CCCO1)c1cccnc1N1CCOCC1 44895445 WRSKSPZIWDULMM-HNNXBMFYSA-N 349.431 1.234 0 40 EDAB Cc1cc(C(=O)N(C)CCCCN(C)C(=O)c2cc(C)n[nH]2)[nH]n1 69970687 ORZUQWMLVDMDSR-UHFFFAOYSA-N 332.408 1.374 0 40 EDAB COc1ccc(CC(=O)N2CCN(CC(C)(C)O)CC2)c(OC)c1 69928371 SLLSJMMKGUIZBN-UHFFFAOYSA-N 336.432 1.161 0 40 EDAB COc1ccccc1CCNC(=O)CN1CCC(c2cc[nH]n2)CC1 58218593 PTVAFPUAABPLBH-UHFFFAOYSA-N 342.443 1.957 0 40 EDAB CSC[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 2113982 QFQWYDMBBZJDGO-NSHDSACASA-N 337.353 1.104 0 40 EDAB biogenic COc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 3392431 UGJOSEBMLPUJDF-UHFFFAOYSA-N 343.335 1.897 0 40 EDAB CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H]3CCOC3)ccc21 44919063 CCKGNMDQTZVULD-GFCCVEGCSA-N 338.429 1.165 0 40 EDAB O=C(NCCNc1ncccn1)c1cccc(OC[C@@H]2CCCO2)c1 44917724 XDYRRVKPXVCGOG-INIZCTEOSA-N 342.399 1.876 0 40 EDAB Cc1cc(NC(=O)CN2CCC(CCN3CCOCC3)CC2)no1 58439154 NVPZMURCFMXVDW-UHFFFAOYSA-N 336.436 1.356 0 40 EDAB COc1cc(CNC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)ccn1 48326485 MGUFWXMXMRFJJM-GFCCVEGCSA-N 341.367 1.521 0 40 EDAB Cn1ncc(C(=O)O)c1C(=O)N1CCN(Cc2ccccc2F)CC1 36615513 OKGJUCMGZLZEOR-UHFFFAOYSA-N 346.362 1.215 0 40 EDAB O=C(CCN1CCN(c2ncccn2)CC1)N1CCc2ccccc21 28844134 URCJNBXQBUZABQ-UHFFFAOYSA-N 337.427 1.578 0 40 EDAB Nn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1C1CC1 3484340 CRWPBGGZMIQDJG-UHFFFAOYSA-N 329.385 1.258 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1Cc1cc(=O)n2ccsc2n1 3505352 WVPHNVSWXAJWAV-UHFFFAOYSA-N 332.385 1.511 0 40 EDAB C[C@H](NC(=O)NCCN1CCc2ccccc2C1)c1nncn1C 46281268 FKEHENPISMTAIG-ZDUSSCGKSA-N 328.420 1.234 0 40 EDAB C[C@@H](C(=O)N1CCN(Cc2cccc(Cl)c2)CC1)n1cncn1 29756665 ZNWGYXJVJYALNM-ZDUSSCGKSA-N 333.823 1.837 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H](C)CN1CCOCC1 46486325 RVUBHUFOFSUTOZ-CQSZACIVSA-N 349.431 1.668 0 40 EDAB CC[C@H](C)[C@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)OC 12919468 UKPAUQIRBWKHHG-GWCFXTLKSA-N 327.402 1.408 0 40 EDAB NC(=O)CC1CCN(C(=O)COc2ccc(F)cc2Cl)CC1 49391099 HBUHDOKZYTUCSP-UHFFFAOYSA-N 328.771 1.972 0 40 EDAB CCCc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1 8814404 YTFXNZOOCIRHSD-UHFFFAOYSA-N 325.423 1.176 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@H](N2CCNC2=O)C1 64373664 OPNLYOYJKQGWKB-YVZNUBBCSA-N 343.383 1.445 0 40 EDAB COc1ccccc1NC(=O)C1CCN(C(=O)c2cc[nH]n2)CC1 49697961 BCGCLGNURHGZDO-UHFFFAOYSA-N 328.372 1.909 0 40 EDAB O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)O)cc1 4200458 VMBCOSBUPKWBJQ-GFCCVEGCSA-N 347.396 1.807 0 40 EDAB COc1ccc([C@H](NC(=O)NC[C@@H](C)N(C)C)c2nccn2C)cc1 65440861 AEBCXIDTENXHBR-CJNGLKHVSA-N 345.447 1.767 0 40 EDAB COCCN1CCCN(C(=O)NC[C@@H](c2ccco2)N(C)C)CC1 65427766 QYOLZDAVWSSLTP-HNNXBMFYSA-N 338.452 1.246 0 40 EDAB CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1nnc(-c2ccccn2)s1 65547931 RHXLFOPJAQAZGT-NSHDSACASA-N 346.416 1.588 0 40 EDAB CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1 65553950 ANTZZZZZKRTDPH-AAEUAGOBSA-N 328.459 1.665 0 40 EDAB COc1cccc(-n2c(O)c(Cc3cccs3)c(=O)[nH]c2=O)c1 5323002 XSWKKHQQIRLAKD-UHFFFAOYSA-N 330.365 1.892 0 40 EDAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N(C)CC(=O)N1CCOCC1 14184287 LMSGBCQGJQWKHX-CABCVRRESA-N 333.432 1.043 0 40 EDAB CCNc1nc(SCC(=O)N2CCNC2=O)nc2ccccc12 14138764 VRGSWXRMCMQTIP-UHFFFAOYSA-N 331.401 1.706 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NCCOc1ccccc1F 6560993 LRNSETIYNUTRHI-UHFFFAOYSA-N 341.342 1.731 0 40 EDAB COC(=O)c1cc(-c2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C 6549851 YNSZKTGZHCSFNO-UHFFFAOYSA-N 329.287 1.215 0 40 EDAB O[C@H]1CCCN(C[C@H](O)COc2cccc(Br)c2)C1 5980385 FKJRGJFTTGBHLP-STQMWFEESA-N 330.222 1.646 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)NCCN1CCc2sccc2C1 67232041 SGNBSTUHKKIABD-UHFFFAOYSA-N 339.461 1.747 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(N2CCCC2=O)cc1 15817690 RUIADTPENNOHLW-UHFFFAOYSA-N 331.416 1.800 0 40 EDAB Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCN(C)CC(F)(F)F 83722512 PRDWQCCXYAVGGS-SNVBAGLBSA-N 334.346 1.215 0 40 EDAB COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1 67980060 BLIOUKWSPLCEDB-QGZVFWFLSA-N 337.383 1.782 0 40 EDAB CC1CCN(C[C@@H](O)CN2C(=O)NC3(CCCCCC3)C2=O)CC1 71825002 IMJQFEOPLMUDCJ-OAHLLOKOSA-N 337.464 1.724 0 40 EDAB CCn1ccnc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1=O 91013890 DKXJUXYKSFHAGP-HZPDHXFCSA-N 348.491 1.979 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)CCc2c(C)nc(C)[nH]c2=O)c1 70006652 GJQZVOKUVIYJIN-HNNXBMFYSA-N 343.431 1.515 0 40 EDAB C[C@H](C(=O)NCCc1cccs1)N1CCO[C@H](CN(C)C)C1 71878862 CZYJHHVZCMQWAZ-ZIAGYGMSSA-N 325.478 1.058 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cc(F)cc(F)c2)CC1 71881910 XSBMQNKRRBKCNY-HNNXBMFYSA-N 328.359 1.120 0 40 EDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](c2ccccc2)C1 71844379 SWWHYDPEENJWBL-HUUCEWRRSA-N 339.482 1.923 0 40 EDAB CC(=O)N(C)CC(=O)N(CCc1ccccc1)CC(=O)OC(C)(C)C 69371500 VLIKPDBGDSXPNN-UHFFFAOYSA-N 348.443 1.878 0 40 EDAB c1ccc2c(c1)OC[C@H](c1nnc(SCCn3cncn3)o1)O2 69421150 RGVVRRYUNAVOHF-GFCCVEGCSA-N 331.357 1.966 0 40 EDAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CNC[C@@H]1CN(C)CCO1 69569180 AIQGLWQYBODMAW-DGCLKSJQSA-N 337.386 1.096 0 40 EDAB O=C(CCN1CCC[C@@H]1Cn1cncn1)N1CCc2ccccc21 69600841 KZVGBXQYYOGVEK-MRXNPFEDSA-N 325.416 1.722 0 40 EDAB COc1ccc(OC)c2c(=O)c(C(=O)NO[C@H]3CCCCO3)c[nH]c12 69703456 OOINIYDXDOWUKF-ZDUSSCGKSA-N 348.355 1.733 0 40 EDAB C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(=O)n(-c2ccccc2)n1 69738085 JHQZKOCBEGBYIV-GDBMZVCRSA-N 338.411 1.541 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN(Cc2nc3ccccc3s2)C1 71907379 CBNCNHSBBMDVHX-NSHDSACASA-N 325.459 1.797 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1CCN(c2noc(C(C)(C)C)n2)CC1 97059116 KTBUFGHPNZYZMP-AWEZNQCLSA-N 349.479 1.890 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N1CCC[C@H](c2ccn[nH]2)C1 72283007 UZHRCHQMCFMCNZ-LBPRGKRZSA-N 325.434 1.473 0 40 EDAB O=C(c1cc(-n2cccn2)ccn1)N1CCN([C@@H]2CCSC2)CC1 87487945 JYCRPMFYMIHGBE-OAHLLOKOSA-N 343.456 1.531 0 40 EDAB CN(C)c1nc2ccc(NC(=O)NCCc3ccnn3C)cc2o1 97140953 GHAJSADMZTWSNT-UHFFFAOYSA-N 328.376 1.992 0 40 EDAB O=C(CCN1C(=O)COc2ccccc21)N[C@@H]1CCc2nccn2C1 97197906 QHCDILCOHYVVPE-CYBMUJFWSA-N 340.383 1.130 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1nc3ccccc3c(=O)[nH]1)CC2 72302251 QUTVETDDLVYXDC-UHFFFAOYSA-N 337.383 1.058 0 40 EDAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 95407662 VGPAHRKSIKKHHI-AWEZNQCLSA-N 343.383 1.029 0 40 EDAB Cn1cc([C@@H](CO)NC(=O)NCC23CC4CC(CC(C4)C2)C3)cn1 95441566 YDAYHECCIRWTAZ-JKJYUFNASA-N 332.448 1.969 0 40 EDAB CC(=O)NC[C@H]1CN(C(=O)[C@H](C)CCc2ccccc2F)CCO1 95403578 UOBAJZYOTGUQGQ-CJNGLKHVSA-N 336.407 1.758 0 40 EDAB NC(=O)c1nccnc1C(=O)N1CCC[C@H](N2CCCCCC2)C1 73473289 YZUSYQFBNQVVHX-ZDUSSCGKSA-N 331.420 1.056 0 40 EDAB Cc1cc([C@@H](C)NC(=O)CN(C)c2ncnc3[nH]cnc23)c(C)o1 95956200 LPLNCRFZDISXFW-SNVBAGLBSA-N 328.376 1.876 0 40 EDAB CC(C)c1nnc2n1CCN(CCS(=O)(=O)c1ccccc1)C2 75131651 WJHUMJNOMSCXQB-UHFFFAOYSA-N 334.445 1.691 0 40 EDAB O=C([C@H]1COCCO1)N1CCN(CC(F)(F)F)c2ccccc21 89865598 ZCPGVIZHYNZWPB-CYBMUJFWSA-N 330.306 1.817 0 40 EDAB CC[C@H]1CN(C(=O)Cn2c(C)nc3ccccc3c2=O)C[C@@H]1N(C)C 89948450 MVLZNOASOXBXRS-YOEHRIQHSA-N 342.443 1.504 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@H](Cc2nccn2C)C1 89904440 SIQUAHAVDFHMLK-UONOGXRCSA-N 331.424 1.064 0 40 EDAB CCC(=O)N1CCN(C(=O)Nc2cccc(N3CCOCC3)c2)CC1 89941721 LWQPMKOPABLYIA-UHFFFAOYSA-N 346.431 1.609 0 40 EDAB CCNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 113943122 PKCUQGSHNBCEEY-UHFFFAOYSA-N 328.390 1.098 0 40 EDAB O=C(N/C(=C/c1cccnc1)C(=O)N1CCOCC1)c1ccccc1 4797890 FBQNLWWAEAESRP-GHRIWEEISA-N 337.379 1.711 0 40 EDAB CC(=O)N1CCC2(CC1)CN(C)Cc1nnc(-c3ccc(F)cc3)n12 306138263 RTSSKCWNDSRVAQ-UHFFFAOYSA-N 343.406 1.867 0 40 EDAB COCCN1[C@@H](C)CN(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 36075926 LDKKGXAUAHOUGG-GASCZTMLSA-N 326.462 1.725 0 40 EDAB CN(C)c1cccc(C2CCN(S(=O)(=O)c3cn[nH]c3)CC2)n1 72368759 UBDBBUZJLXSXEA-UHFFFAOYSA-N 335.433 1.439 0 40 EDAB CCOC(=O)C1=NN(c2ccc(OC)c(Cl)c2)[C@@H](C(=O)O)C1 71979298 OBHLMQYCKCTNAN-LLVKDONJSA-N 326.736 1.931 0 40 EDAB Cc1cc(N2CCC[C@H](c3ncncc3S(C)(=O)=O)C2)ncn1 72368981 NTDKUXZLEFRGRH-LBPRGKRZSA-N 333.417 1.363 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCC(n3cnnc3O)CC2)ccc1F 538833233 PLEFVGGZZJALKW-UHFFFAOYSA-N 347.350 1.559 0 40 EDAB CC(=O)N1CCO[C@H](c2cc(NCCc3ccccn3)nc(C)n2)C1 72387163 FWOZTMZJFZNURH-KRWDZBQOSA-N 341.415 1.754 0 40 EDAB CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2C(=O)c2cc[nH]n2)n1 72388392 XBBQUYXKFJTYBU-MRXNPFEDSA-N 328.376 1.019 0 40 EDAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1ccccc1F 211095073 WNQBHOTUMLEBHI-UHFFFAOYSA-N 336.392 1.694 0 40 EDAB CN1CC[C@H](N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)C1=O 75915589 XFWMGLBIGWWHLF-HNNXBMFYSA-N 335.835 1.257 0 40 EDAB CC(C)CN1CCO[C@@H](COC(=O)c2cnn(C)c2C(F)F)C1 77957481 AUMLEJPFHSFULB-LLVKDONJSA-N 331.363 1.871 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2c(F)cccc2s1 44357574 WSSJINSSEDQMMQ-VIFPVBQESA-N 343.405 1.798 0 40 EDAB COc1cc(C(=O)NCCCN2CCOCC2)n(-c2ccccc2)n1 227162350 FCMJAUPLKUGXTL-UHFFFAOYSA-N 344.415 1.333 0 40 EDAB Cc1nncn1CCNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 81785785 HGZYTAYLRVXGJG-KRWDZBQOSA-N 345.422 1.897 0 40 EDAB COC(=O)c1nn(C[C@@H](O)CN2CCC(C)CC2)c2c1CCCC2 89584247 UWGSATFEQGDFBY-AWEZNQCLSA-N 335.448 1.641 0 40 EDAB Cc1nc(C)c(C(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)s1 571644527 ALBHZFZEKKDIAL-SNVBAGLBSA-N 335.389 1.527 0 40 EDAB C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1c[nH]c(=O)c2ccccc12 225548362 SSAWABBGAAGFNG-NSHDSACASA-N 329.400 1.903 0 40 EDAB O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1)C1CCCCCCC1 95401310 AKNDTZJYMUKFSM-JKSUJKDBSA-N 342.505 1.725 0 40 EDAB CNC(=O)Cc1nc(CNc2ccc(-n3cnnn3)c(C)c2)cs1 96461481 WFTQTMJEYGLFCG-UHFFFAOYSA-N 343.416 1.328 0 40 EDAB CCCS(=O)(=O)N1CCc2onc(CNc3ncccn3)c2C1 96259741 WOBNHDAWFKKTIR-UHFFFAOYSA-N 337.405 1.175 0 40 EDAB Cc1nccc(N2CCN(c3ncc(Br)cn3)CC2)n1 266199548 CXRQWVOIWDJWDQ-UHFFFAOYSA-N 335.209 1.664 0 40 EDAB O=C(c1ccnnc1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CO2 96221600 BQGFTIMPQNBVAL-AWEZNQCLSA-N 340.387 1.142 0 40 EDAB CN1CCN(C[C@@H]2CN(Cc3nccs3)Cc3nccn3C2)CC1 96067019 WQFTUNCBNYXATQ-OAHLLOKOSA-N 346.504 1.219 0 40 EDAB Cc1cccc(S(=O)(=O)CCCn2cnnc2[S@@](C)=O)c1 97379344 KXIGNWGNCNZQEJ-FQEVSTJZSA-N 327.431 1.188 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)N3C)C2)cn1 96064423 MPSHOIPCFPFMLE-VYDXJSESSA-N 340.431 1.217 0 40 EDAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@H](C)CN1CCOCC1 96490560 RITYYAOHALSFSK-BBRMVZONSA-N 349.479 1.841 0 40 EDAB COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)n[nH]c1C 95480650 OMZVHHNLVIBDFO-NSHDSACASA-N 348.355 1.899 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)S1 96426934 PCNCBLLLQJULCB-LBPRGKRZSA-N 335.477 1.887 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 96076474 AAJSNQSLPCCKMC-SFHVURJKSA-N 341.415 1.564 0 40 EDAB OCCOc1cncc(N2CCN(Cc3cccc(Cl)c3)CC2)n1 97102974 VTSBBDYZBDEVSY-UHFFFAOYSA-N 348.834 1.823 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(COCCN(Cc3nccs3)C2)C1 96202071 APDPZKCBTHHQMM-QGZVFWFLSA-N 347.488 1.601 0 40 EDAB COc1ccc(CN2CCCN(C(=O)c3cccs3)CC2)nn1 330032276 KXXDGTYERGHGQW-UHFFFAOYSA-N 332.429 1.895 0 40 EDAB Cn1nccc1C(=O)N1CCOC[C@H]1c1csc(N2CCCC2)n1 96218134 QSFKFYLXTGAMNJ-AWEZNQCLSA-N 347.444 1.691 0 40 EDAB O=C(N1CCCC1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 96158811 SJECNJQJIPLLGA-UHFFFAOYSA-N 344.459 1.964 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)C[C@H](Nc1ncccn1)CO2 96221595 PCQIHVMVWAZRNP-ZDUSSCGKSA-N 340.387 1.142 0 40 EDAB CCn1cc(NC(=O)C(=O)NC[C@@H](C)c2cccs2)ccc1=O 96416086 ZFXQHJMRDYQJEI-LLVKDONJSA-N 333.413 1.788 0 40 EDAB O=C(NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@H]1CCCO1 96199260 WXNHPCIGYDLCPJ-UKRRQHHQSA-N 346.362 1.278 0 40 EDAB CN(C)CCN1CCc2c(CNC(=O)c3ccco3)cncc2C1 96067424 LKPDXQXHKNGKJJ-UHFFFAOYSA-N 328.416 1.524 0 40 EDAB Cn1nc(CNS(=O)(=O)c2ccc(Cl)s2)c2c1CCOC2 96104026 DKRQKHHZKBSFAM-UHFFFAOYSA-N 347.849 1.686 0 40 EDAB O=C(c1cccnc1)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 247873755 MYHMPLAJWZHMPC-WMZOPIPTSA-N 342.399 1.369 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 257268924 MNURMLAQJDCOEA-OAHLLOKOSA-N 329.404 1.403 0 40 EDAB Cc1noc(Cl)c1CCC(=O)N1CCC(c2nc(O)n[nH]2)CC1 539924652 GAEUPGVLPROJGA-UHFFFAOYSA-N 339.783 1.799 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2noc3c2CCCC3)CCO1 257340848 ZHTHEWBWOQTGQL-CYBMUJFWSA-N 343.387 1.599 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](NC(=O)CCCn3cccc3)C2)on1 585087545 HOQWAMGXLPEFDP-OAHLLOKOSA-N 344.415 1.986 0 40 EDAB CCOc1cc(CNc2ccc3c(c2)B(O)OCC3)ccc1OC 585011583 RMLCLNFXOQARLD-UHFFFAOYSA-N 327.189 1.966 0 40 EDAB C[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O 585086253 XUPBIRNEFKWYFF-ZETCQYMHSA-N 338.212 1.258 0 40 EDAB COc1ccc(F)cc1C(=O)NCc1cnc([C@@H]2CCN(C)C2)[nH]1 257216471 CUPZNCBJKYQYDG-LLVKDONJSA-N 332.379 1.907 0 40 EDAB C[C@H](NCc1ccc(CN(C)C)c2c1OC(F)(F)O2)C(=O)N(C)C 585136503 IKSZSJNUFUHWAA-JTQLQIEISA-N 343.374 1.636 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)OC(C)(C)C)c1 585115103 MPCBYPTVQXOGKS-GFCCVEGCSA-N 343.449 1.695 0 40 EDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)CC[C@H]1CCCCO1)CC2 585115461 BHGWKVOPCHLIIM-KGLIPLIRSA-N 345.461 1.551 0 40 EDAB CC[C@@H]1C(=O)NCCN1Cc1snc(OC)c1Br 585117737 VHKBKPRFKYTGKT-SSDOTTSWSA-N 334.239 1.625 0 40 EDAB CC(C)C(=O)N[C@H]1CCN(Cc2nc3ccccc3n2C)CC[C@@H]1O 257256039 KJVXDBJQTATXMJ-RDJZCZTQSA-N 344.459 1.671 0 40 EDAB O=S(=O)(Cc1ccc(F)cc1)N1CCN(C[C@H](O)C2CC2)CC1 85467107 ZXRKPKKBENSVNC-INIZCTEOSA-N 342.436 1.044 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCOC[C@H](Cc2ccncn2)C1 257321370 WBJRLQODZAOAFJ-CYBMUJFWSA-N 341.367 1.537 0 40 EDAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 257204310 ATYADBLXUBIQRU-GFCCVEGCSA-N 337.383 1.974 0 40 EDAB CN(C)C(=O)COc1ccccc1C(=O)NCCCc1cccnc1 1615587307 YVLQPVKHTRLZTJ-UHFFFAOYSA-N 341.411 1.911 0 40 EDAB CC(C)c1nnc(CNC(=O)[C@@H]2NCCOc3ccccc32)n1C 1615616626 YQMTXNKOFXKECK-OAHLLOKOSA-N 329.404 1.278 0 40 EDAB Cn1ncc(C(=O)N[C@@H](C(=O)O)c2ccsc2)c1-n1cccc1 1615610960 RUSLYVFFKHPZJM-GFCCVEGCSA-N 330.369 1.828 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](CNC(=O)c2cscn2)C1 575406224 MRZYDLYLFWQJGU-KGYLQXTDSA-N 345.428 1.309 0 40 EDAB Cc1cccc(O[C@@H]2CCC[C@H](NCC3(O)CCN(C)CC3)[C@H]2O)c1 585288884 KWAVRNQQYKIGGL-IPMKNSEASA-N 348.487 1.702 0 40 EDAB COCC(=O)NC[C@H]1CCn2nccc2CN1Cc1c(C)noc1C 585096959 FZCQTRAWLKVHLY-CQSZACIVSA-N 347.419 1.025 0 40 EDAB Cc1c(C(=O)OCC(=O)N(C)C)nnn1-c1cccc2cccnc12 67484359 YRVBLSOAJCTFHO-UHFFFAOYSA-N 339.355 1.369 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)N(C[C@@H]1CCOC1)C1CC1 47101425 OCVNUABDUKYZIQ-LSDHHAIUSA-N 345.447 1.656 0 40 EDAB CN(C)C[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1 52567353 MSMVNPKSWINNRI-QGZVFWFLSA-N 341.411 1.583 0 40 EDAB Cc1cc([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)on1 53165889 AUVOJJDROQMLHQ-SJKOYZFVSA-N 346.387 1.367 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C 75094490 YMPZJQHVCDOIQK-LLVKDONJSA-N 328.409 1.844 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)O)c(Cl)c1 547873362 WTBAHJXCZATKDY-PWSUYJOCSA-N 347.820 1.807 0 40 EDAB O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccncc1F 81463205 QRWAKZJNFWKQPG-UHFFFAOYSA-N 333.285 1.751 0 40 EDAB C/C(N[C](CCc1ccccc1)C(=O)O)=C(/O)[N+]1=C(C(=O)O)CCC1 1560406762 XOHMJPTXHWPKBD-VBKFSLOCSA-O 346.383 1.904 0 40 EDAB CC(C)C[C@@H]1N=C(N(C)N=O)O[P@@]1(=O)NNc1ncccn1 5716382 DXWRZBUIBFOYHX-PVBMHHQDSA-N 327.285 1.958 0 40 EDAB COc1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 5989720 NPVWKDIPRDIXRL-JOYOIKCWSA-N 328.415 1.357 0 40 EDAB O=C(Cn1cc(C(=O)NCc2ccccc2)ccc1=O)NCC(F)F 19751404 OXRZDEOSSWVWGF-UHFFFAOYSA-N 349.337 1.160 0 40 EDAB O=C1COc2ccccc2N1CC(=O)N1CCOC[C@H]1c1ccco1 604859020 NSNAGQYQFRBBJA-AWEZNQCLSA-N 342.351 1.605 0 40 EDAB Cc1cnc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)cn1 30982150 HFRCBTWIKFRLMK-UHFFFAOYSA-N 328.357 1.588 0 40 EDAB Cc1cccc(-n2nnnc2SCC(=O)NC[C@@H]2CCCO2)c1 2616587 BODQQOJPCRAIHL-ZDUSSCGKSA-N 333.417 1.358 0 40 EDAB O=C([C@@H]1CN(c2ncccc2Br)CCO1)N1CCCC1 1888844633 RSWXBJDAHXFCMX-LBPRGKRZSA-N 340.221 1.672 0 40 EDAB c1cnn(-c2ccc(N3CCN(c4ncnc5c4CCC5)CC3)nn2)c1 1889149008 VBCNONGWSIOAIN-UHFFFAOYSA-N 348.414 1.268 0 40 EDAB Cc1ccccc1C(=O)NCc1nnc2ccc(N3CCCC3)nn12 245053488 OWKPNZLOEVOADA-UHFFFAOYSA-N 336.399 1.963 0 40 EDAB CCOCCC(=O)N1C[C@@H]2OCCN(Cc3cccc(C)n3)[C@H]2C1 2056223388 IZDJXHICKKBIJN-IRXDYDNUSA-N 333.432 1.228 0 40 EDAB Cc1cccc(CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)c1 4138837 DOSBLGHWJTVJTQ-UHFFFAOYSA-N 342.424 1.936 0 40 EDAB O=C(CSc1nnc2ccc(-c3ccco3)nn12)N1CCOCC1 4376801 GPJZAHCRAPVDAG-UHFFFAOYSA-N 345.384 1.335 0 40 EDAB CCNC(=O)C[C@H]1C(=O)N(c2ccc(OC)cc2)C(=O)N1CCOC 4593364 DNQYSKDCYDKPMD-AWEZNQCLSA-N 349.387 1.005 0 40 EDAB COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)ccc1O 15080071 ATWHZNZYRZTXET-CQSZACIVSA-N 345.359 1.628 0 40 EDAB O=C(Cn1ccn(-c2ccccc2)c(=O)c1=O)Nc1ccc(F)cc1 20488759 QGEOFAXNTRWCKE-UHFFFAOYSA-N 339.326 1.777 0 40 EDAB O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC[C@H]1CCCO1 23230926 FMSCGGFZNCQCNX-CQSZACIVSA-N 347.802 1.859 0 40 EDAB CN(CC(=O)N1CCS[C@H](c2cccs2)CC1)S(C)(=O)=O 219505391 AMOMMGCRXKVVIR-LBPRGKRZSA-N 348.515 1.646 0 40 EDAB CCCCOc1ccc(C(=O)NCc2nc(OC)nc(OC)n2)cc1 575608617 VSLNHCJIKJSDMA-UHFFFAOYSA-N 346.387 1.998 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CC(N3C(=O)[C@@H]4C[C@H]4C3=O)C2)cc1 585388721 YBAJQWJZSAIZEZ-HUUCEWRRSA-N 328.368 1.303 0 40 EDAB CSc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccnc2)cc1 96103246 GCXGBGHPYOABMG-CQSZACIVSA-N 331.397 1.592 0 40 EDAB CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 488758 RPLVXQQSZPUKAE-PASDCYSWSA-N 327.380 1.920 0 40 EDAB biogenic CCCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccs2)C1 40091921 MZIAIIYDSGKZQF-LBPRGKRZSA-N 330.475 1.816 0 40 EDAB Cn1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1=O 30522855 UTTCPLIICJANGO-CQSZACIVSA-N 347.440 1.250 0 40 EDAB CS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(S(C)(=O)=O)c1 40477496 UMWLKYJNJDHJJE-SNVBAGLBSA-N 333.431 1.085 0 40 EDAB COc1ccc(OC)c(CCC(=O)N[C@@H](C)CN2CCCC2=O)c1 40556115 OZWWHCBGGSCQIV-ZDUSSCGKSA-N 334.416 1.764 0 40 EDAB O=C(NCCCn1nc2n(c1=O)CCCC2)N1CCc2ccccc21 40554061 IFIPVHKXBQEBDC-UHFFFAOYSA-N 341.415 1.544 0 40 EDAB COCCn1nc(C)c(CNC(=O)N2CC[C@H](N3CC=CC3)C2)c1C 101386377 ZKIVBFSJDUHFES-INIZCTEOSA-N 347.463 1.302 0 40 EDAB CCNC(=O)CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccccc23)CC1 20727604 PVQRPNLHOLQITD-QGZVFWFLSA-N 344.415 1.047 0 40 EDAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(N)=O)c2ccccc12 32415163 IJMLXFFLDNQFJV-AWEZNQCLSA-N 348.424 1.877 0 40 EDAB CC(C)CC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 342335 VRKNWKRESIFWQU-UHFFFAOYSA-N 339.461 1.753 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)no1 32797191 HROMWZKIGHONSD-NSHDSACASA-N 341.371 1.679 0 40 EDAB Cc1c(C(=O)O[C@H](C)C(=O)N2CCNC2=O)oc2ccc(F)cc12 32776191 MVSDPJNCAUPGBR-SECBINFHSA-N 334.303 1.977 0 40 EDAB CCCCn1nnnc1CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O 32741614 FHVSARYVRLVUKR-LLVKDONJSA-N 346.366 1.970 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C 102370346 AZOQPMUGPPMULH-RYUDHWBXSA-N 344.367 1.552 0 40 EDAB CCN(CC)C(=O)[C@H](C)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 32925699 FXUKVNIUGBQQIQ-SRXBQZRASA-N 332.400 1.860 0 40 EDAB Cc1nc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)sc1C 102902207 NOUDIPPEXPGAPJ-XRRVDJEJSA-N 331.397 1.506 0 40 EDAB C[C@H](NC(=O)NC[C@@H](O)CO[C@@H](C)c1ccccc1)c1nncn1C 46871286 LZORQVMONIMTGQ-KCQAQPDRSA-N 347.419 1.314 0 40 EDAB CCc1ccc2c(c1)[C@@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C 528073 DLFQVMBZOSEKMM-MRXNPFEDSA-N 346.412 1.381 0 40 EDAB CCN(C(=O)c1cnn(-c2ccccc2C)c1C)[C@@H]1CC(=O)NC1=O 103392863 MIILHBCDLJVZSL-OAHLLOKOSA-N 340.383 1.366 0 40 EDAB CC(C)[C@@H](C(=O)N[C@@H](C(=O)O)C(C)C)N1C(=O)c2ccccc2C1=O 1668493 JBLZLVXVKCRJPR-KGLIPLIRSA-N 346.383 1.533 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N[C@H]3CCCC[C@@H]3C)nc2n1 3542249 BYBJJXUXVVAVIG-GWCFXTLKSA-N 345.403 1.593 0 40 EDAB CN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1Cl 37408613 FTZUMGBUVYGCKW-UHFFFAOYSA-N 341.614 1.208 0 40 EDAB Cc1cccc(C)c1OCC(=O)NS(=O)(=O)c1c(C)noc1C 42291441 OSSPOTDGDRWPNI-UHFFFAOYSA-N 338.385 1.792 0 40 EDAB C[C@H]1OCCN(C(=O)Nc2cc(Br)cn(C)c2=O)[C@@H]1C 97048719 RMZZIBJXAXWQGI-RKDXNWHRSA-N 344.209 1.789 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2OC)CC1 8500019 XRPGDUHIGCBDSA-ZDUSSCGKSA-N 336.388 1.763 0 40 EDAB CCc1noc([C@@H](C)N2CCN(c3cc(Cl)nc(N)n3)CC2)n1 105792059 HOQONPHCZJDTBN-SECBINFHSA-N 337.815 1.541 0 40 EDAB COC(=O)c1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1 105740239 SHKAPQFQJFIWMD-XHWVFBAXSA-N 345.420 1.448 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)N[C@@H]1CCCN(c2ncccn2)C1 43049153 FDEYKXZHRDTTNF-HZPDHXFCSA-N 341.415 1.478 0 40 EDAB O=C(Cc1cccnc1)N1CCC[C@@]2(CCN([C@H]3CCOC3)C2)C1 107191955 ZWHQRVWQUIRWGC-HKUYNNGSSA-N 329.444 1.728 0 40 EDAB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)NC(N)=O 21312021 JALWUHVGJRDIOE-LREOWRDNSA-N 338.117 1.280 0 40 EDAB O=C(Cc1csc(-c2ccco2)n1)NC[C@H]1CN2CCC[C@H]2CO1 106517062 YAVDVSIWFFLMFX-KBPBESRZSA-N 347.440 1.925 0 40 EDAB COC[C@@](C)(N)CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F 72284421 JHVZMZDQKPTNGK-NSHDSACASA-N 344.330 1.895 0 40 EDAB O=C(CSc1ccc(F)cc1)N1CCN(CCn2cncn2)CC1 72293052 HPWIWQBDUUZCSB-UHFFFAOYSA-N 349.435 1.354 0 40 EDAB COc1ccc(NC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 35296325 ZRIZQLFLPKLZAO-KRWDZBQOSA-N 339.395 1.546 0 40 EDAB CCN1CCC(N(C)S(=O)(=O)c2cc(OC)ccc2OC)CC1 44000207 SSOREZXIBIUKHU-UHFFFAOYSA-N 342.461 1.809 0 40 EDAB C[C@@H](CNC(=O)[C@H]1CCCN(Cc2ccccc2)C1)N1CCOCC1 57169601 QVPMCCJXPNUOID-HKUYNNGSSA-N 345.487 1.736 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)O 59415059 WVBLMKYZCTVUCU-IATRGZMQSA-N 347.415 1.476 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N(C)Cc1ccccn1 57229624 YKUPZEFXVBPNOP-UHFFFAOYSA-N 349.394 1.736 0 40 EDAB O=C(c1cc(-n2ccnc2)ccn1)N1CCC(Nc2cccnn2)CC1 95458639 DUORQHJFPYVDLU-UHFFFAOYSA-N 349.398 1.774 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCCc1ccccn1 100217110 ABMVNAVKAQOORY-TWOQFEAHSA-N 349.390 1.828 0 40 EDAB COCCN1CCCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 48299864 FVVOTIHMSJZDPF-OAHLLOKOSA-N 349.406 1.432 0 40 EDAB CCO[C@H]1C[C@@H](O)C12CCN(c1nnnn1-c1ccccc1)CC2 95400779 RGMNKVDSGPJTRL-CABCVRRESA-N 329.404 1.419 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 44709380 NXOKVOSKKMJBGW-TZMCWYRMSA-N 327.377 1.160 0 40 EDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2cccc(F)c2)C1 57319532 SHANIPLOYGNPFF-HIFRSBDPSA-N 336.407 1.758 0 40 EDAB COCCN1C(=O)C2(CCN(CC(=O)N(C)C)CC2)c2ccccc21 104788185 FSRXMJQNBZYEBW-UHFFFAOYSA-N 345.443 1.101 0 40 EDAB CCCc1ccc(N2C[C@H](C(=O)NCCNC(C)=O)CC2=O)cc1 65402205 PNTNRJHSPDCNBL-OAHLLOKOSA-N 331.416 1.244 0 40 EDAB CC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C)C=C[C@]3(C)O2)c1 100201780 ZTDNVMSMAVGYJS-USJZOSNVSA-N 327.336 1.835 0 40 EDAB CCN(CC)CCN(CCOC)Cc1cc(=O)n2ccccc2n1 72313471 RSEBTBQOPHWKKA-UHFFFAOYSA-N 332.448 1.485 0 40 EDAB Cc1csc(CNC(=O)NC[C@H](C(C)C)N2CCOCC2)n1 44952939 IIMPKOFGOZMAMN-CYBMUJFWSA-N 326.466 1.608 0 40 EDAB COc1ccc(N(CCCC(=O)NC2CC2)S(C)(=O)=O)cc1 113961563 CZKDBEFMYKYAEK-UHFFFAOYSA-N 326.418 1.520 0 40 EDAB COC(=O)c1ccc(C)c(S(=O)(=O)NCC[C@@H]2CCCO2)c1 58316109 TWIBROWBVPHFNJ-ZDUSSCGKSA-N 327.402 1.629 0 40 EDAB CCc1ccc(O)c(C(=O)N2CCN(CC(=O)N(CC)CC)CC2)c1 58300091 QDQPJBRZWXLCTO-UHFFFAOYSA-N 347.459 1.581 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(Cl)cc(Cl)c1 3315760 UMTWSIONQMCFJI-LLVKDONJSA-N 345.182 1.497 0 40 EDAB CN(Cc1cccnc1)Cc1cnc2n1CCN([C@H]1CCOC1)CC2 107813837 CHHNCYBLWZBWIG-KRWDZBQOSA-N 341.459 1.557 0 40 EDAB COc1cc(CNCCN(C)C)ccc1OCC(=O)NC(C)(C)C 22075867 NQEMNWFJPNJSQQ-UHFFFAOYSA-N 337.464 1.640 0 40 EDAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)NC1CCCCCC1 28915424 RZQDFDQPVIFVMR-DHDCSXOGSA-N 340.445 1.805 0 40 EDAB NC(=O)COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 3490150 DPQOJRPVLCRYQT-OAHLLOKOSA-N 326.352 1.576 0 40 EDAB C[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 46254178 WZMGRYGYRXSPSI-NWDGAFQWSA-N 332.356 1.016 0 40 EDAB CONC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 46456649 PKFWOUBBCHLVLH-UHFFFAOYSA-N 326.780 1.878 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCCCC1 3594995 PHHMPBYACHEMTN-SFHVURJKSA-N 327.384 1.392 0 40 EDAB Cc1nccc(N2CCN(C(=O)NCCc3ccncc3C)CC2)n1 97376492 PNCKRNGTGZDDHB-UHFFFAOYSA-N 340.431 1.563 0 40 EDAB O=C([C@@H]1CCCOC1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 119373731 FTGUUXPDYRRBLJ-HIFRSBDPSA-N 329.462 1.761 0 40 EDAB CCc1sc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)cc1C 39579859 DCINYWPHIGKIOG-UHFFFAOYSA-N 338.429 1.500 0 40 EDAB Cc1ccc(OCC(=O)N2CCN(c3ncccn3)CC2)c(C)c1 13744496 DRKFXQGDLQXECR-UHFFFAOYSA-N 326.400 1.821 0 40 EDAB CC(C)C(=O)Nc1ccc2c(c1)nc(CNC(=O)[C@H]1CCCO1)n2C 13735475 UIXBAZJGWCYOJA-OAHLLOKOSA-N 344.415 1.963 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)NCCc2cnn(C)c2)c1 65440220 UVRPHDZWCKOTOC-OAHLLOKOSA-N 348.403 1.013 0 40 EDAB C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2cccs2)C[C@H](C)O1 14098571 QILMDBSVEBRQMF-RYUDHWBXSA-N 332.491 1.914 0 40 EDAB CCc1sc(C(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)cc1C 65539431 ATASZWXZEOZUQM-LBPRGKRZSA-N 345.486 1.895 0 40 EDAB C[C@@H]1c2cccn2CCN1C(=O)Nc1ccc(S(N)(=O)=O)cc1 14198689 KVLWSMSGQCMAHL-LLVKDONJSA-N 334.401 1.744 0 40 EDAB CCOc1cc(CNn2nnnc2N)ccc1OCc1ccccc1 4512746 COCQJEXMFLZAQV-UHFFFAOYSA-N 340.387 1.977 0 40 EDAB CCOC(=O)c1sc(NC(=O)c2nc3nccc(C)n3n2)nc1C 14866369 WTZBPUCQRRXOGB-UHFFFAOYSA-N 346.372 1.627 0 40 EDAB CCOC(=O)CCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 15480159 BXLWXXOSQFEJST-UHFFFAOYSA-N 345.399 1.836 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC(c2nc[nH]n2)CC1 83443770 ZEKUJGUOSHLXEW-GFCCVEGCSA-N 331.424 1.789 0 40 EDAB CC(C)Cn1c(S[C@H](C)C(=O)N(C)C)nnc1N1CCOCC1 7777232 YAJAXMJKXMMVKO-GFCCVEGCSA-N 341.481 1.340 0 40 EDAB CCN1C(=S)N(c2ccc(F)cc2F)[C@H]2CS(=O)(=O)C[C@@H]21 9420651 AXANPUGMFMSGEH-RYUDHWBXSA-N 332.397 1.557 0 40 EDAB CC(C)c1ccc(CCCNC(=O)CN(C)S(C)(=O)=O)cc1 96408134 VOUSHZONIRUNRY-UHFFFAOYSA-N 326.462 1.750 0 40 EDAB COc1ccc(CN(C)CC(=O)NC(=O)NCc2ccco2)cc1F 8308560 NRBVUKZIGFNMGY-UHFFFAOYSA-N 349.362 1.885 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@@H](n3cccn3)C2)c1 69420697 DIDNFJGNNMUNMX-MRXNPFEDSA-N 347.440 1.905 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)Nc3cc(C)on3)CC2=O)cc1 69441552 TWVGTIOBNMQYET-CYBMUJFWSA-N 329.356 1.979 0 40 EDAB O=C(/C=C/c1ccccc1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 69421365 WQWJRJMWNLYMPQ-YXWZHEERSA-N 348.468 1.468 0 40 EDAB CCN1CCCN(C(=O)CSCC(=O)Nc2cc(C)on2)CC1 69530268 ILNHLMDBUPAIRG-UHFFFAOYSA-N 340.449 1.209 0 40 EDAB Cc1oc(-c2ccsc2)nc1CC(=O)N1CCN(C[C@H](C)O)CC1 71871495 HEJJJVINMGKDKX-LBPRGKRZSA-N 349.456 1.779 0 40 EDAB CCCCn1nc(C(=O)N2CCN(c3ccncc3)CC2)ccc1=O 71846885 MCKDOVLVUXCPDV-UHFFFAOYSA-N 341.415 1.401 0 40 EDAB NS(=O)(=O)C[C@@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 71893165 FQBHJKDLPWOKRS-SNVBAGLBSA-N 348.827 1.549 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1nnnn1-c1ccccc1 69947218 ANNUQIPTQZRLMW-IAGOWNOFSA-N 340.431 1.638 0 40 EDAB CN(C[C@H]1CN(Cc2cn3ccsc3n2)CCO1)c1cccnn1 83859325 VOAMLWBMALCKQN-AWEZNQCLSA-N 344.444 1.523 0 40 EDAB Cn1c(N)c(-c2csc(-c3ccc(F)cc3)n2)c(=O)n(C)c1=O 9645726 BDJQERLXUUWIHC-UHFFFAOYSA-N 332.360 1.596 0 40 EDAB CCCn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1=O 9602528 LHIUEAZTJFQVHL-UHFFFAOYSA-N 342.399 1.742 0 40 EDAB Cn1ccnc1CCNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 95401112 WTLJUWUBYNEYPU-UHFFFAOYSA-N 326.278 1.135 0 40 EDAB C[C@H](CN(C(=O)CCc1nc(-c2ccco2)no1)C1CC1)C(=O)O 95991906 ADAUCONTBCBSOV-SNVBAGLBSA-N 333.344 1.974 0 40 EDAB Cc1nc2n(n1)C[C@@H](NC(=O)N1CCC(CCCN(C)C)CC1)CC2 95980789 OBETYVHWMLHNJM-INIZCTEOSA-N 348.495 1.665 0 40 EDAB COCCN1CC[C@@H](NC(=O)NC[C@H](c2cccs2)N(C)C)C1 89312247 VLWZIGXISQTTJI-ZIAGYGMSSA-N 340.493 1.371 0 40 EDAB CC(=O)N[C@H]1CCCN(c2ccc(-c3nc(C)cc(=O)[nH]3)cn2)C1 89568362 IOHIVSQOZWOJIO-AWEZNQCLSA-N 327.388 1.245 0 40 EDAB O=S1(=O)C[C@H](NS(=O)(=O)c2ccccc2F)c2ccccc21 89857840 BPMZLBHZGUHDNK-LBPRGKRZSA-N 341.385 1.633 0 40 EDAB O=C(C1CC1)N1C[C@@H]2[C@H](C1)[C@H](OCc1ccccc1)CCS2(=O)=O 306125142 CIARAKSMAUKGMO-BRWVUGGUSA-N 349.452 1.627 0 40 EDAB Cc1cnc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)s1 29775648 WKXMWZMIVXRGSK-UHFFFAOYSA-N 325.415 1.670 0 40 EDAB CN([C@H](C(=O)O)c1ccccc1Cl)S(=O)(=O)c1cn(C)cn1 548232240 GXIVFXSSDHGRCT-LBPRGKRZSA-N 343.792 1.520 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)O)c(C)c1 548529642 KWOOEZSYSXWBLZ-STQMWFEESA-N 327.402 1.462 0 40 EDAB O=S(=O)(c1cccc2c1OCC2)N1CC[C@@H](Oc2cccnc2)C1 521394831 DTNHUKPPHZIAMQ-OAHLLOKOSA-N 346.408 1.859 0 40 EDAB CCNc1nc(SCCC(=O)NC(=O)NC)nc2ccccc12 31767075 DSYCXWVZFFSTFW-UHFFFAOYSA-N 333.417 1.999 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F 521394144 XJSUZUSYMXLSLV-ONGXEEELSA-N 343.371 1.263 0 40 EDAB NNc1nn2c(Cc3ccc(Br)cc3)nnc2s1 216755228 NAQHTOIWUZJMNH-UHFFFAOYSA-N 325.195 1.825 0 40 EDAB CN1CCC(Nc2ccccc2NC(=O)Cn2cccnc2=O)CC1 560402222 IDXOBYQAHRHJEJ-UHFFFAOYSA-N 341.415 1.388 0 40 EDAB CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)[C@H](C)N)CC1 79412879 VOZLTXSTLXMXDS-AWEZNQCLSA-N 333.432 1.983 0 40 EDAB Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN2Cc2noc(C)n2)n1 72388402 XMTTVIUFNUXHOO-QGZVFWFLSA-N 344.419 1.689 0 40 EDAB CNC(=O)c1cn[nH]c1[C@]1(C)CCCN(C(=O)c2cccc(C)n2)C1 72388827 OEELWCBFODPDCL-GOSISDBHSA-N 341.415 1.667 0 40 EDAB CC(=O)OC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 45371385 OSTZSWLRJGLQOS-CYBMUJFWSA-N 338.335 1.551 0 40 EDAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCN(C)CC1 225434172 HTIHHBMLOYHKDR-NSHDSACASA-N 333.363 1.922 0 40 EDAB biogenic,in-vitro Cc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)c(C)c1 224273635 IKAFKTBRPVLUOI-UHFFFAOYSA-N 348.428 1.731 0 40 EDAB Cc1nn(C)c(C)c1OCC(=O)N1C[C@H](C(=O)O)c2ccccc21 192934922 NIVJSYBPSMLCLI-ZDUSSCGKSA-N 329.356 1.631 0 40 EDAB CC(C)[C@@H](NC(=O)CNS(C)(=O)=O)c1ccc(Cl)cc1F 96500901 BMGOPEGSGIMXML-CYBMUJFWSA-N 336.816 1.842 0 40 EDAB COc1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2ccccn2)COC1 96112460 LMHPFWMKWLMGLH-LBPRGKRZSA-N 338.367 1.941 0 40 EDAB biogenic,in-vitro CCOC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cn(C)nc21 96044697 BBBVAEQJTDVLPM-CQSZACIVSA-N 343.383 1.925 0 40 EDAB O=S(=O)(NC[C@H]1CCC[C@]2(CCN(CC3CC3)C2)O1)C1CC1 96206501 CIJOQFBXFJDGNR-GDBMZVCRSA-N 328.478 1.492 0 40 EDAB CN1CCOC[C@@]2(CCCN(C(=O)c3nn(C)c4ccccc34)C2)C1 96228718 RFWVTSGCPIJNGN-IBGZPJMESA-N 342.443 1.758 0 40 EDAB CCN1CC[C@H](NC(=O)NCCO)[C@@H]1c1cc(F)c(F)c(F)c1 97238616 QVLZVPMEGSMOKG-JSGCOSHPSA-N 331.338 1.531 0 40 EDAB Cn1cc(C(=O)OCCOc2cncc(Br)c2)cn1 96474001 MZEAYDJVGYDEFB-UHFFFAOYSA-N 326.150 1.813 0 40 EDAB CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 96415179 QHWHDWJVEPDMFH-SJORKVTESA-N 346.475 1.990 0 40 EDAB COc1cccc2c(C(=O)N[C@H]3CCN(C(C)(C)C)C3=O)n[nH]c12 578773609 RHTXHDALUWVDRQ-NSHDSACASA-N 330.388 1.701 0 40 EDAB COCCN1CC[C@H]2OCC[C@@H](C(=O)N(C)Cc3ccccn3)[C@H]2C1 96043495 AMXYHORGLSKNNL-KZNAEPCWSA-N 347.459 1.413 0 40 EDAB Cc1ccc(N2C[C@@H]3COC[C@]3(CNC(=O)c3ccco3)C2)nn1 96218811 ZSVQHVJYTAKITE-DYVFJYSZSA-N 328.372 1.261 0 40 EDAB O=S(=O)(NC[C@H]1Cn2ccnc2CO1)c1ccc(Cl)cc1 96296245 SFMZRTBJWSRZGS-NSHDSACASA-N 327.793 1.414 0 40 EDAB biogenic,in-vitro CC(C)NC(=O)[C@H](C)N1CCN(C[C@H]2OCCc3ccccc32)CC1 96406589 RXMCZKYPIRRCRL-QFBILLFUSA-N 345.487 1.831 0 40 EDAB CCc1cnc(N2CCO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 96226457 RLJFINKCFMDUTF-GOSISDBHSA-N 340.431 1.705 0 40 EDAB C[C@@H](c1cccnc1)N1CCN(CC(=O)NCc2ccccn2)CC1 96424306 CYJXAMUUSWLZDE-INIZCTEOSA-N 339.443 1.472 0 40 EDAB COCC(=O)NC[C@H]1Cn2cc(-c3ccc(OC)cc3)nc2CO1 96112845 WCXFOFWGNUVVNL-AWEZNQCLSA-N 331.372 1.220 0 40 EDAB biogenic,in-vitro CCN1Cc2ccccc2CC2(CCN(S(C)(=O)=O)CC2)C1=O 96080011 MLPHNIZEDKZKIK-UHFFFAOYSA-N 336.457 1.633 0 40 EDAB O=C1CCCN1C[C@H]1CN(Cc2ccncc2)Cc2nccn2C1 96188429 MKGGYNDKPPNRQV-INIZCTEOSA-N 325.416 1.533 0 40 EDAB COc1ncnc2c1CN(C[C@@H](O)COc1cc(C)ccc1C)CC2 97202074 ZTDPFKIYTNYEOL-OAHLLOKOSA-N 343.427 1.900 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C(=O)O)C(C)C)CC2 98041246 OXVAOTYHLYYFGA-OAHLLOKOSA-N 336.388 1.881 0 40 EDAB Cc1noc(C)c1CN1CCn2c(Cn3cncn3)cnc2[C@H]1C 96070164 FGHUQKVZYJRHAL-GFCCVEGCSA-N 327.392 1.705 0 40 EDAB NC(=O)c1ccc(CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)cc1 96500487 FODXHMXXWBUSHM-HXUWFJFHSA-N 334.375 1.929 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Cc2cnccn2)cc1 583621020 KAUBJEVSZFSERS-PKOBYXMFSA-N 341.411 1.926 0 40 EDAB O=C(c1ccncn1)N1CC2(C1)OCC[C@H]2COc1ccccn1 247869196 PXYHBVUTDXMAFD-ZDUSSCGKSA-N 326.356 1.182 0 40 EDAB Cc1cc(CN2CCOC[C@@]3(CC[C@@H](Cn4cncn4)O3)C2)oc1C 247907849 KMMAJRXHWLNABL-FUHWJXTLSA-N 346.431 1.938 0 40 EDAB O=C(c1cnccn1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257262532 LLUCKGVVNGQPOW-LJQANCHMSA-N 338.411 1.112 0 40 EDAB Cc1ccc2nc(C(=O)N3CCO[C@@H](c4nc(C)cn4C)C3)cn2c1 257336360 YOBLKUIITSFRPG-OAHLLOKOSA-N 339.399 1.898 0 40 EDAB CCN1C(=O)C[C@@H](C(=O)NCc2ccnn2C)[C@@H]1c1ccccc1C 257289726 PZXKFYDYPIRYCM-AEFFLSMTSA-N 340.427 1.954 0 40 EDAB O=C(CCc1cccs1)NC[C@@]1(O)CCCN(c2ncccn2)C1 257316189 VENNXCIAKSUKGM-KRWDZBQOSA-N 346.456 1.618 0 40 EDAB CCCCOc1ncccc1CNC(=O)C[C@H]1CCCS1(=O)=O 585122185 POWDQJPBOUNPHT-CQSZACIVSA-N 340.445 1.844 0 40 EDAB CCn1nccc1-c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)n1 257236099 HATKCZAMEIKESK-ZDUSSCGKSA-N 334.445 1.789 0 40 EDAB O=C(O)Cc1ccc(O[C@@H]2CN(Cc3cscn3)C[C@H]2O)cc1 257327642 XCEIXEMLXWJULE-HUUCEWRRSA-N 334.397 1.394 0 40 EDAB Cc1ncc(-c2cncc([C@H]3CCCN(S(C)(=O)=O)C3)n2)n1C 257313573 UTFUJWYRAATKMC-LBPRGKRZSA-N 335.433 1.325 0 40 EDAB Cc1nccn1CC(=O)N1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 257328072 XDZXCSLGCLRDIO-SJLPKXTDSA-N 347.390 1.762 0 40 EDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(Cc2ccncc2)C3)n1 253480165 VHXWEXMKDTWPLB-INIZCTEOSA-N 326.400 1.992 0 40 EDAB COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H](OC)[C@@H]2O)cc1 257237287 HFVXLNOQVOLDQG-BZUAXINKSA-N 343.445 1.634 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)c3cccc(F)c3)CC2)OC[C@]1(C)O 257250457 JMPFLLXZEYRPDM-RDJZCZTQSA-N 336.407 1.560 0 40 EDAB O=C(Cn1nc(-c2cccs2)n(C2CC2)c1=O)NC[C@H]1CCCO1 90591286 SJTOADUZYJQVSZ-GFCCVEGCSA-N 348.428 1.403 0 40 EDAB Cc1cc(CC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)no1 603832090 BHNPLFOYVATFNQ-UHFFFAOYSA-N 331.372 1.848 0 40 EDAB COC1CCN(c2ccc(NC(=O)CN3C(=O)CCC3=O)cc2)CC1 96104461 YGXJGHGRNAQVDM-UHFFFAOYSA-N 345.399 1.389 0 40 EDAB Cc1n[nH]c(C)c1C(=O)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2 390832178 XUQSCPWVEBPSSH-VIFPVBQESA-N 342.325 1.673 0 40 EDAB CC(C)(C)n1nnc(CNC(=O)N[C@H]2COc3ccc(F)cc3C2)n1 654569262 LVQHODMEHLWUCQ-GFCCVEGCSA-N 348.382 1.370 0 40 EDAB O=C(NC[C@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1)c1cccnc1 575402831 CXCQVCMCWRMXDH-CQSZACIVSA-N 343.427 1.619 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@H](CNC(=O)c3cccn3C)CO2)C1 575403687 JYDINHFBZXQBLT-RBSFLKMASA-N 345.443 1.419 0 40 EDAB Cc1cc(C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)nn1C 575411011 VOWXAWOJAWUQSW-JTQLQIEISA-N 325.365 1.669 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575405644 SZRFWCFXXKUVTA-CQSZACIVSA-N 342.486 1.896 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(S(=O)(=O)C(C)C)CCO2)c1 585276019 LCEVSMSZIUCXDQ-INIZCTEOSA-N 327.446 1.339 0 40 EDAB Cc1ccccc1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C 585108505 XZOZWEWQBGQPOW-IAGOWNOFSA-N 329.444 1.762 0 40 EDAB CCOC[C@H]1Cc2c(ncn2C)CN1C(=O)COc1ccc(F)cc1 585094976 XWBRSYZYAWXZED-CQSZACIVSA-N 347.390 1.928 0 40 EDAB CO[C@]1(COc2ccc(C)cc2)CCCN(C(=O)CNC(C)=O)C1 585275169 YRTNTCRBMKYOID-GOSISDBHSA-N 334.416 1.518 0 40 EDAB CS(=O)(=O)NCCC(=O)NC1(c2ccc(F)cc2)CCCC1 69456467 HIEIFKHNDCSSKM-UHFFFAOYSA-N 328.409 1.651 0 40 EDAB O=C(/C=C/c1ccco1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 69922260 SOFNJMRQVIIWBD-CNBITHIKSA-N 338.429 1.061 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1 70021261 KVCDZHVEAMRLMC-SFHVURJKSA-N 347.459 1.052 0 40 EDAB O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccccc1 56360598 ADIDTRDVDHNFCT-UHFFFAOYSA-N 346.431 1.717 0 40 EDAB COc1nccnc1N(C)CC1CCN(C(=O)[C@@H]2CCOC2)CC1 1776009571 JIMZENDWLLIXMM-CQSZACIVSA-N 334.420 1.197 0 40 EDAB COCCCC(=O)N1CCCc2ccc(S(=O)(=O)N(C)C)cc21 75143094 XVNNWHBWQDGSIM-UHFFFAOYSA-N 340.445 1.643 0 40 EDAB NC(=O)CC1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 77818685 JMLBVELIJJYDEV-UHFFFAOYSA-N 327.388 1.054 0 40 EDAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C1CCN(c2ncccn2)CC1 106630408 GXYPZKKOLASQSC-CVEARBPZSA-N 345.491 1.930 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OC1CCN(C=O)CC1 95461447 FRGXTLWWJSEXPS-ZDUSSCGKSA-N 326.393 1.550 0 40 EDAB Cn1cncc1[C@@H]1C[C@@H](NC(=O)[C@@H]2COc3ccccc32)CCO1 583621122 WFNQBTQQSABRFX-QEORTHHSSA-N 327.384 1.933 0 40 EDAB COCCNC(=O)c1nnn(-c2ccc(F)cc2)c1-n1cccc1 1775967483 SZCWBIRFNSPMDM-UHFFFAOYSA-N 329.335 1.573 0 40 EDAB COc1ccc2c(c1)C=C(CN1CCc3nc(C)[nH]c(=O)c3C1)CO2 12145341 ZXIBNANLPYMOEJ-UHFFFAOYSA-N 339.395 1.921 0 40 EDAB O=C(C[C@@H]1N=C(N2CCOCC2)N=C1O)Nc1ccccc1Cl 13688405 MFDWTVJIHHRTST-LBPRGKRZSA-N 336.779 1.696 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 18044142 VGSQJDMHUSYELY-GKUGFIGPSA-N 338.404 1.097 0 40 EDAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)c3ccccc3)C[C@H]1C2 19021914 LYELHZDDMXJJCQ-WBVHZDCISA-N 338.411 1.431 0 40 EDAB CN(C)CCn1nc([C@@H]2CCN(C(=O)C3CC3)C2)c2cccnc21 19583108 MGSPTJUWOHZQAN-CQSZACIVSA-N 327.432 1.719 0 40 EDAB O=C(NCCN1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)c1 19831304 SFLBRVMNDFIWMJ-UHFFFAOYSA-N 345.321 1.092 0 40 EDAB Cc1cn2nc(N[C@H]3CCN(C(=O)c4ncoc4C)C3)ccc2n1 519441142 KZYCBIZCGAZVDN-LBPRGKRZSA-N 326.360 1.661 0 40 EDAB COCC(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12130221 QOUFXLWHSVMXJD-UHFFFAOYSA-N 343.387 1.297 0 40 EDAB COc1ccc(CC(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1 11359978 YJTGADLSKCRACQ-UHFFFAOYSA-N 348.424 1.926 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)NCc3ccccc3Cl)cnc21 11405596 IWNFIOMPYAKGOW-UHFFFAOYSA-N 331.763 1.100 0 40 EDAB CCCCn1c(=O)c2c(nc3n2CCN3Cc2ccco2)n(C)c1=O 6749042 RERRPGXCQZKRBA-UHFFFAOYSA-N 343.387 1.310 0 40 EDAB O=C([C@H]1CCCN(c2ncnc3cnccc23)C1)N1CCOCC1 1888859564 RPRICFHFXNRURK-ZDUSSCGKSA-N 327.388 1.100 0 40 EDAB Cc1cc(NC(=O)CN(CC(N)=O)C(C)C)n(-c2ccccc2)n1 14927340 JXBANCIAFVDRGY-UHFFFAOYSA-N 329.404 1.315 0 40 EDAB COc1ccc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1Cl 20678173 SQNDORHXIIVFRO-NSHDSACASA-N 346.836 1.406 0 40 EDAB NC(=O)[C@H]1CCCCN1CC(=O)Nc1cccc(Br)c1 9953357 AKWCURPRKHHCIT-GFCCVEGCSA-N 340.221 1.727 0 40 EDAB COc1ccc(C(=O)NCc2nc(-c3cc(C4CC4)on3)no2)cn1 238969442 ZGRGSFBGSWBQOD-UHFFFAOYSA-N 341.327 1.936 0 40 EDAB Cn1cc(-c2ncnc3c2CN(C(=O)CC2(O)CCC2)CC3)cn1 1565555946 KAARPKIYBCOFQM-UHFFFAOYSA-N 327.388 1.067 0 40 EDAB CCOCC(=O)N1CCC[C@](Nc2ccccc2)(C(=O)N(C)C)C1 2055751081 GJOHFGHNDJSMIL-GOSISDBHSA-N 333.432 1.584 0 40 EDAB O=C1COC2(CCN(C(=O)C3CC3)CC2)CN1Cc1ccccn1 2055750601 JBQOJGCTQKDQFY-UHFFFAOYSA-N 329.400 1.212 0 40 EDAB COCc1cn([C@H]2CCN(S(=O)(=O)c3cccc(F)c3)C2)nn1 1775965548 CKQPJOPMBKRCKB-ZDUSSCGKSA-N 340.380 1.199 0 40 EDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC[C@H](N2CCOC2=O)C1 606440542 ADWFGUKQIYXLLZ-NEPJUHHUSA-N 348.355 1.236 0 40 EDAB COc1ccc2cc(C(=O)NC[C@]3(OCCO)CCOC3)[nH]c2c1 617714232 CWXXXHKQTACLQL-QGZVFWFLSA-N 334.372 1.074 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2F)C1 2298048612 KEWBNAUJJDQQGE-SECBINFHSA-N 341.330 1.758 0 40 EDAB CC1(C)[C@@H]2CN(C(=O)NC3CCN(CC(=O)N4CCCC4)CC3)C[C@H]21 104187450 XHPQGJIIZRZLGG-HZPDHXFCSA-N 348.491 1.371 0 40 EDAB O=C(O)CNC(=O)CCn1ccc2c(Br)cccc21 40312393 VRZLCCGIMNWTQX-UHFFFAOYSA-N 325.162 1.995 0 40 EDAB biogenic C[C@@H]1Cc2cc(C(=O)NCCn3ccnc3)ccc2N1S(C)(=O)=O 40474253 ASKLFQBVFIQNND-GFCCVEGCSA-N 348.428 1.024 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCc3ccco3)c(C)c12 31659058 HIFGUSFLOTUJOO-UHFFFAOYSA-N 328.372 1.720 0 40 EDAB O=C(NCCCN1CCOCC1)c1cccc(Br)c1 20436807 NOOVZEBITIYSCD-UHFFFAOYSA-N 327.222 1.901 0 40 EDAB C[C@H](CNS(=O)(=O)c1cnn(C)c1)N1CCc2ccccc2C1 40528198 IYHINKXVWSFIQE-CYBMUJFWSA-N 334.445 1.145 0 40 EDAB CNC(=O)c1cccc(CNS(=O)(=O)c2cc(C)ccc2F)c1 32433218 SOIGZSTYMCMBTJ-UHFFFAOYSA-N 336.388 1.972 0 40 EDAB O=C(Nc1ccc(F)cc1F)C1=NN(c2ccccc2)C(=O)CN1 32652545 XAYPAGZHYWHIJA-UHFFFAOYSA-N 330.294 1.853 0 40 EDAB O=C(NCCc1ccc(F)cc1)N[C@@H]1CCCc2c1cnn2CCO 32933010 PEKSANYGIKQRIC-MRXNPFEDSA-N 346.406 1.934 0 40 EDAB COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@H]3CCOC3)CC2=O)c1 41367010 HFFJTAWHDXGMQU-CHWSQXEVSA-N 348.399 1.209 0 40 EDAB CN(CC(=O)Nc1ccccc1)Cc1nc(O)c2cnn(C)c2n1 52827751 JZGFBXMXWFDSIV-UHFFFAOYSA-N 326.360 1.139 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cnc2c(cnn2C(C)C)c1 33212765 YFLHZQQRIZQSKW-AWEZNQCLSA-N 329.404 1.753 0 40 EDAB Cc1cc(N2CCN(C(=O)NC[C@@H]3CCOC3)CC2)nc(C(C)C)n1 47067877 JLEQFZGRGMSVAC-HNNXBMFYSA-N 347.463 1.777 0 40 EDAB CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 787177 NPPRJZKEWVOECQ-GFCCVEGCSA-N 334.372 1.349 0 40 EDAB Cc1c(/C(O)=N/S(C)(=O)=O)nnn1-c1ccc(Cl)cc1F 76758459 GTULXEIVCUVBHT-UHFFFAOYSA-N 332.744 1.632 0 40 EDAB O=C1CN(NC(=O)CCc2ccc(-c3ccccc3F)o2)C(=O)N1 53286260 BZTOYXXUHSXVFB-UHFFFAOYSA-N 331.303 1.601 0 40 EDAB Cc1noc(-c2ccnc(NCCC(=O)NCc3ccncc3)c2)n1 77215047 FVULWGCYISDJOP-UHFFFAOYSA-N 338.371 1.953 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)CCn3ccccc3=O)CCO2)n1 78889649 UJDZFVPTPJYGCR-CYBMUJFWSA-N 345.403 1.080 0 40 EDAB O=c1[nH]c(=O)n(-c2ncnc3c2cnn3-c2ccccc2)cc1Cl 79063512 WRZIAGQWFNNGBL-UHFFFAOYSA-N 340.730 1.308 0 40 EDAB Cn1ccc(C(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1=O 53351503 YOUIICGKZLSKHY-UHFFFAOYSA-N 339.395 1.832 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NC1CCCC1 3600768 YBCRAAPVJLWJRZ-IBGZPJMESA-N 341.411 1.829 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649489 NODWSPSDMANELZ-RISCZKNCSA-N 343.383 1.775 0 40 EDAB COc1ccc(CN2CCCN(C(=O)c3cnsn3)CC2)cc1 47624524 NGDGJYXDEJYHCU-UHFFFAOYSA-N 332.429 1.895 0 40 EDAB CSCCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 8271755 ACGABDSAMLMBJL-UHFFFAOYSA-N 344.458 1.312 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(-n2cncn2)nc1 12538142 VYFBKRAABUJDNY-UHFFFAOYSA-N 346.354 1.804 0 40 EDAB Cc1noc(C)c1CC(=O)NCc1ccc(CN2CCOCC2)cc1 23958428 YTBMTXAVRYXFSJ-UHFFFAOYSA-N 343.427 1.983 0 40 EDAB C[C@H]1CCc2nn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)cc2C1 21110639 KZCZQRDLPZGPFI-NSHDSACASA-N 341.367 1.736 0 40 EDAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 24096855 KRNPQSDNNAKWCO-MLGOLLRUSA-N 336.413 1.162 0 40 EDAB CCc1ccccc1Nc1nc(N)nc(CN2CCO[C@H](C)C2)n1 24014492 QMYBJDVFWGOQML-GFCCVEGCSA-N 328.420 1.981 0 40 EDAB C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOCC2)CC1 54993581 UJZFWOZMZIBTCM-OAHLLOKOSA-N 335.423 1.363 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)NC[C@H](C)N1CCOCC1)CO2 47855965 HEDHOAJKWGEBGY-AWEZNQCLSA-N 346.427 1.698 0 40 EDAB CC1(C)C(=O)N(CCC(=O)NCCN2CCOCC2)c2ccccc21 57355662 MZBMYPLQWUNNMZ-UHFFFAOYSA-N 345.443 1.149 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NC[C@H](C)N3C[C@@H](C)O[C@H](C)C3)cc12 25127296 WFIOUZMCGUTAJS-YNEHKIRRSA-N 345.447 1.504 0 40 EDAB C[C@](O)(CC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 97059365 IPYJGCYTBOUTCN-WFASDCNBSA-N 344.333 1.564 0 40 EDAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@@H]2COCCO2)cc1 55848289 KMBAEZOVMZSJTM-SMDDNHRTSA-N 338.429 1.657 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)cc1 12653384 SQNOPFKSXJGLQI-OAHLLOKOSA-N 335.381 1.675 0 40 EDAB CCCNC(=O)CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 12688811 AMNGXICOZRWRAA-UHFFFAOYSA-N 343.471 1.388 0 40 EDAB Cc1csc2nc(CN3CCn4c(nnc4C4CC4)C3)cc(=O)n12 72268368 NPJCMQSWUXVZOB-UHFFFAOYSA-N 342.428 1.549 0 40 EDAB O=C(c1ccccn1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108534094 NADIBZWTWDEJFT-ROUUACIJSA-N 338.411 1.592 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)NC1CCN(c2ccccn2)CC1 48230024 WPULDHGIIRMTEP-OAHLLOKOSA-N 347.463 1.070 0 40 EDAB CC(C)N(CC(N)=O)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 57791520 FUFCWYZXDCUDJC-UHFFFAOYSA-N 346.427 1.992 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)cc1Cl 100377267 VJIOWASHDGHHIE-UTJXIGIESA-N 333.771 1.844 0 40 EDAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@@H]1c1ccsc1 58174702 DLIUGWCHZSTSLJ-SWLSCSKDSA-N 335.473 1.997 0 40 EDAB COc1ccc(OC[C@@H](O)CN2CCN(c3cnccn3)CC2)cc1 27635536 DSCZBSIVGBQTKT-HNNXBMFYSA-N 344.415 1.047 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)NCc1ccc2c(c1)OCO2 2107255 ZJGTWFOUXUXTKQ-NSHDSACASA-N 340.401 1.509 0 40 EDAB biogenic CNCCNc1c(F)cc2c(=O)c(C(=O)O)cn3c2c1OC[C@H]3C 67665159 DTSGFABJBJMJFG-MRVPVSSYSA-N 335.335 1.424 0 40 EDAB in-vitro CCn1cnnc1CNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 44970848 BYYZKMKMFGQTOW-AWEZNQCLSA-N 333.367 1.720 0 40 EDAB COc1ccc(Oc2ccc(CNC(=O)COCC(=O)O)cn2)cc1 44980355 LMRZFFJUDSFNKO-UHFFFAOYSA-N 346.339 1.600 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(N(C)C)CC2)cc1 44917171 QCTYUWJNOGGVIM-UHFFFAOYSA-N 340.445 1.578 0 40 EDAB Cc1nc(NC(=O)CN(C)C(C)C)sc1-c1nnc(S)n1C 58342182 AYQRFPAGMVTGCE-UHFFFAOYSA-N 340.478 1.814 0 40 EDAB O=C([C@@H]1COC[C@H]2CN(Cc3ccsc3)C[C@@H]12)N1CCCCO1 107709821 ZHGIOPKMQVFNBT-BZUAXINKSA-N 336.457 1.997 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2OCC)C1=O 3381178 IYPXGJQDNWCDOC-UHFFFAOYSA-N 347.371 1.615 0 40 EDAB CCCN(C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 58412485 RXMLCRJGQWKCIL-UHFFFAOYSA-N 341.433 1.581 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)c2cc(Cl)ccc2F)CC1 10665166 COKXQESCYCEOGR-UHFFFAOYSA-N 334.800 1.633 0 40 EDAB O=C(CN1CCc2ccccc2C1)NCC(=O)Nc1ccc(F)cc1 36379979 YBEGTTUDTWSCOT-UHFFFAOYSA-N 341.386 1.939 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(F)c(Cl)c1 10490914 DLXCTDOGMXLVCN-UHFFFAOYSA-N 325.727 1.735 0 40 EDAB CN(C)c1ncccc1CNC(=O)NC[C@@H]1Cc2ccccc2O1 48311437 BSQSJWGNMJEDJS-HNNXBMFYSA-N 326.400 1.951 0 40 EDAB CN1C(=O)N(CC(=O)NCCc2cccc(Cl)c2)C(=O)C1(C)C 12897858 JPYJFOPZNBKPLR-UHFFFAOYSA-N 337.807 1.671 0 40 EDAB C[C@@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccc(F)cc1 12872622 BGOFJVYFQUPSPJ-GFCCVEGCSA-N 341.346 1.446 0 40 EDAB CC(C)c1noc(CS(=O)(=O)CC(=O)Nc2cccc(F)c2)n1 46134903 VHMHEHQNBFZTEU-UHFFFAOYSA-N 341.364 1.886 0 40 EDAB Cc1noc(-c2cccnc2NCCC(=O)NCc2ccncc2)n1 84286838 FVKZCPQMAKPTOE-UHFFFAOYSA-N 338.371 1.953 0 40 EDAB CO[C@]1(C)C[C@H](NC(=O)c2cnc3sc(C)cn3c2=O)C1(C)C 92945669 PGWKKCQGJLDTQD-MEDUHNTESA-N 335.429 1.998 0 40 EDAB C[C@H](NS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F 83927631 IXMOVXKKXMPIRM-OIBJUYFYSA-N 342.314 1.483 0 40 EDAB Cn1ccnc1C(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1 71287479 RKOUCSADBRNTOC-OLZOCXBDSA-N 341.367 1.946 0 40 EDAB C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 4084228 ZYKIRSKDFLPXJW-UPLXVJCVSA-N 334.397 1.624 0 40 EDAB biogenic CC[C@@H](C(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccc(F)cc1 97141667 CAJKORJWSHWEMX-CYBMUJFWSA-N 333.367 1.638 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H]1c1cccc(Nc2ncccn2)n1 72375238 CYZDVOQZKZXAPZ-ZDUSSCGKSA-N 348.432 1.559 0 40 EDAB O=C(CCNC(=O)c1ccco1)OCc1cc(=O)n2ccsc2n1 6180192 CONZXMLEYRCPAC-UHFFFAOYSA-N 347.352 1.212 0 40 EDAB C[C@@H](c1nnc(SCC(=O)O)n1-c1cccnc1)n1cccn1 65497814 BGIINNLHPLDESW-JTQLQIEISA-N 330.373 1.645 0 40 EDAB CCn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccccc1 4463489 MXGUOBQGUBCPIT-UHFFFAOYSA-N 331.401 1.609 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)C1 65538399 WAYWYYAPYNFSAE-HYJLXUOHSA-N 341.411 1.316 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)NCCc2ccnn2C)ccc1F 97140895 MNGCWOVUSGVZEP-UHFFFAOYSA-N 344.354 1.208 0 40 EDAB COc1ccc(O)c(C(=O)OCc2cc(=O)n3ccsc3n2)c1 4951869 UGFYEOLCIZQJCX-UHFFFAOYSA-N 332.337 1.827 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(F)cc1F 67204728 KFYUCCAQGNDZFZ-UHFFFAOYSA-N 329.306 1.991 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)OC 7767539 GMPCPDALRZKDOL-PIGZYNQJSA-N 347.367 1.876 0 40 EDAB O=C(CNS(=O)(=O)CCc1ccccc1)Nc1ccc(F)cc1 71792477 HXFSCMDGVQKWKB-UHFFFAOYSA-N 336.388 1.926 0 40 EDAB Cc1cc2nnc(SCCCNC(=O)C(F)(F)F)n2c(C)n1 96475797 KLGQUUVCDQDXTN-UHFFFAOYSA-N 333.339 1.902 0 40 EDAB CN1C(=O)[C@]2(NC(=O)c3oc4ccccc4c(=O)c32)c2ccccc21 16742486 YEZTXDLSBKEFCM-IBGZPJMESA-N 332.315 1.756 0 40 EDAB Cc1cccn2c(=O)cc(CN3CCO[C@@H](Cn4cccn4)C3)nc12 69375419 ZZZYLPFFQHKPRW-MRXNPFEDSA-N 339.399 1.100 0 40 EDAB C[C@@H](NC(=O)CN1CCO[C@H](Cn2cccn2)C1)c1cccs1 69392431 DCRGYBOUZRYYAU-KGLIPLIRSA-N 334.445 1.523 0 40 EDAB CCc1nnc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)o1 71870661 PBOMRJFSNJHCAX-GFCCVEGCSA-N 332.408 1.647 0 40 EDAB COc1ccc(S[C@@H](C)C(=O)N(C)CCN2CCOCC2)cc1 69415749 ASJVSZSXBIAMOM-AWEZNQCLSA-N 338.473 1.966 0 40 EDAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)CCN2CCOCC2)c1 69453107 RKQSWGISXVGYAO-CQSZACIVSA-N 348.447 1.680 0 40 EDAB O[C@@H](COc1ccc(F)cc1)CN1CCCC[C@@H]1Cn1cncn1 71876294 GVMYEGUCTUAROH-HZPDHXFCSA-N 334.395 1.712 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)CCNC(=O)Cc1ccccc1)C(=O)OC 71892840 LHORXEAJCVCZMU-DYVFJYSZSA-N 334.416 1.439 0 40 EDAB O=C(CCc1ccccn1)N1CCC(c2nnc3n2CCC3)CC1 71841948 NWKCSRYUIVBLPL-UHFFFAOYSA-N 325.416 1.958 0 40 EDAB Cc1noc(C)c1CC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 71841557 AXTIJKSNXWDWII-ZDUSSCGKSA-N 333.363 1.433 0 40 EDAB COCCN1CC[C@@H](CNC(=O)c2cc(C)n(-c3ccccc3)n2)C1 69520462 OWIMHGDRNLKCCE-INIZCTEOSA-N 342.443 1.879 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(OCC(N)=O)c1 69536231 HQBMSEUIKZMKDX-CVEARBPZSA-N 331.416 1.250 0 40 EDAB C[C@@H]1CN(S(=O)(=O)CCNCc2cccnc2Cl)C[C@@H](C)O1 69699269 IJIXOZOLUWJXLR-VXGBXAGGSA-N 347.868 1.264 0 40 EDAB CC(C)C(=O)N1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1 71885740 UMKQRYRHNMJDJS-UHFFFAOYSA-N 347.463 1.737 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1 71871335 HKAYKFXKRBVZIH-CYBMUJFWSA-N 348.834 1.664 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)N1CCC[C@@H]1c1cccs1 71871724 ZNGUROHSRCSPJZ-QWHCGFSZSA-N 331.445 1.608 0 40 EDAB Cc1nnc(CN(C)[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)o1 71870757 OBJZPUZQHZGVBU-CYBMUJFWSA-N 332.408 1.735 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCN(C4CC4)CC3)cnc12 71836737 RISABQLVJSNDIN-UHFFFAOYSA-N 326.400 1.012 0 40 EDAB C[C@@H](O)CN1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 71877412 BKKCFAGDMYFFDC-SJLPKXTDSA-N 331.460 1.349 0 40 EDAB O=C(CS[C@H]1CCS(=O)(=O)C1)N1CC[C@H](c2ccccc2)C1 71844382 SWWHYDPEENJWBL-GJZGRUSLSA-N 339.482 1.923 0 40 EDAB Cc1cnn([C@H](C)[C@@H](C)NCCNS(=O)(=O)c2ccccc2)c1 69706155 RWPWIKQIMBJSTR-HUUCEWRRSA-N 336.461 1.709 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)Cc2c(C)noc2C)CC1 69738544 KYAVIUWNIIWRAZ-UHFFFAOYSA-N 345.447 1.785 0 40 EDAB COC1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 69814890 SXIJIUQQDNWOEJ-UHFFFAOYSA-N 332.809 1.061 0 40 EDAB O=C(Nc1ccccc1)[C@H]1CCCN(C[C@H](O)Cn2cccn2)C1 69892630 QKJBXLVNWGUIBD-RDJZCZTQSA-N 328.416 1.595 0 40 EDAB CC(C)[C@H]1CCc2ccccc2N1C(=O)Cn1ccc(=O)n(C)c1=O 84456604 GCAMXDNHOWPDQQ-OAHLLOKOSA-N 341.411 1.551 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)C1CCN(c2ncccn2)CC1 65405228 WHLMXPYEYBSSMJ-UHFFFAOYSA-N 349.435 1.334 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)Cc2cccnc2)[C@@H]1c1ccc(F)cc1 95440499 YCSXIOCKFRODGV-QAPCUYQASA-N 327.359 1.851 0 40 EDAB CC(C)N(CC(N)=O)Cc1ccc(I)cc1 88185458 ZNZJQBXUJYRGMJ-UHFFFAOYSA-N 332.185 1.987 0 40 EDAB CN(C(=O)CN1CCN(c2ncnc3sccc23)CC1)C1CC1 98132341 ZQHMFTBKUXTRLR-UHFFFAOYSA-N 331.445 1.434 0 40 EDAB O=C([C@H](O)c1ccccc1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 95979576 FJCUCZKSGBZJOF-QGPMSJSTSA-N 328.412 1.722 0 40 EDAB CCN1CCN([C@H](C)CNC(=O)c2ccc3cncn3c2C)CC1 95993680 BGMRXQIYWXIYHE-CQSZACIVSA-N 329.448 1.399 0 40 EDAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1nccn2ccnc12 86171274 VUEMENMCHMJBFT-UHFFFAOYSA-N 337.383 1.814 0 40 EDAB CNC(=O)[C@@H](NC(=O)Nc1nncs1)c1ccc(F)c(F)c1 75122338 RRMDXASDURGLQF-VIFPVBQESA-N 327.316 1.425 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)nn1 89652335 PWEMQDNVNLWXHC-MRXNPFEDSA-N 342.447 1.898 0 40 EDAB CC(C)N1C(=O)N[C@](C)([C@@H]2CCCN(CCc3cnn(C)c3)C2)C1=O 89869754 FAFOSLPTIAZQRU-CRAIPNDOSA-N 347.463 1.394 0 40 EDAB CC(C)c1cc(C(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)n[nH]1 89893310 JAILQYWMUHIAIL-UHFFFAOYSA-N 344.419 1.752 0 40 EDAB CCOCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20495299 HZOSHVNCFGWWSO-UHFFFAOYSA-N 334.825 1.868 0 40 EDAB CN(C(=O)CN(c1cccc(F)c1)S(C)(=O)=O)C1CCCC1 20110436 LKZRQZXIHXJPQW-UHFFFAOYSA-N 328.409 1.993 0 40 EDAB CCOC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)COC)ccc1OC 408586718 QFPZVARBXKYZFL-JTQLQIEISA-N 346.405 1.577 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](N)[C@@H]2c2ccc3c(c2)OCO3)cc1 218173657 YCKAMNPVQMGNAF-ULQDDVLXSA-N 331.393 1.991 0 40 EDAB O=C(COc1ccc(Cl)cc1)NC[C@]1(OCCO)CCSC1 1565519972 YGIMYDVNLTULMH-OAHLLOKOSA-N 345.848 1.720 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CSc2ncnc3nc[nH]c23)c1 73966152 LUFFHFHIBDVZGH-UHFFFAOYSA-N 349.441 1.896 0 40 EDAB O=C(c1cnn[nH]1)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 567987471 DACRCULAVCOHDF-QMMMGPOBSA-N 330.270 1.660 0 40 EDAB CN(C)S(=O)(=O)N(CC(=O)NC1CCCC1)c1ccccc1F 44884064 YQMRIZOYRTVBBR-UHFFFAOYSA-N 343.424 1.497 0 40 EDAB NC[C@@H]1CN(C(=O)c2csc(C(F)(F)F)n2)CC12CCOCC2 564956399 MRLHQOBLIPILOA-SECBINFHSA-N 349.378 1.989 0 40 EDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NC3CCCCC3)cc2)n1 44916858 UEWNHYLJAJMORW-UHFFFAOYSA-N 328.376 1.265 0 40 EDAB CN(C)S(=O)(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165957 VUORTDQNNOZHSK-ZIAGYGMSSA-N 341.433 1.942 0 40 EDAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1occc1C(=O)O 575995384 MQMVUTYEVCPSGO-SNVBAGLBSA-N 338.385 1.818 0 40 EDAB NC(=O)C1CCN(C(=O)CN2C(=O)CCCc3ccccc32)CC1 227168669 CAMJFNVXLVCZQC-UHFFFAOYSA-N 329.400 1.080 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3nccs3)C[C@@H]12)N1CCCO1 96057305 DLLBRPDLQUWZJK-MCIONIFRSA-N 337.445 1.392 0 40 EDAB c1csc(CN2CCOC[C@@]3(CC[C@H](CN4CCCC4)O3)C2)n1 96052332 ORABJWNJSQSFJK-NVXWUHKLSA-N 337.489 1.989 0 40 EDAB COc1cc(N2CC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)ncn1 96072870 GUMYCVTZIYWLJF-CXAGYDPISA-N 342.403 1.149 0 40 EDAB Cn1nc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)ccc1=O 96456457 DHDPXTSZAQIAJD-MRXNPFEDSA-N 341.411 1.644 0 40 EDAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1cccnc1)C2 96039769 ACFILNLZVNGTLO-IEBWSBKVSA-N 347.459 1.558 0 40 EDAB Cn1cc([C@H]2COC3(CCN(C(=O)c4cnccn4)CC3)C2)cn1 96073052 DIKBHRUXZKKXRX-CYBMUJFWSA-N 327.388 1.389 0 40 EDAB CNC(=O)CN1CCOC[C@]2(CCCN(Cc3ccsc3)C2)C1 96049479 IHDZHZDDTHCYMH-KRWDZBQOSA-N 337.489 1.409 0 40 EDAB C[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1nc(-c2cccc(F)c2)no1 96432785 UKMIPTIRCFJTEJ-SECBINFHSA-N 343.318 1.460 0 40 EDAB NCC1(NS(=O)(=O)c2ccccc2Br)CCCC1 95394516 SRWFJPRBXKKNNP-UHFFFAOYSA-N 333.251 1.999 0 40 EDAB CCOC(=O)[C@]12CCCN(CC3CC3)C[C@H]1CN(CCN(C)C)C2 96055948 VXJOKBNVMNBFDA-HKUYNNGSSA-N 337.508 1.535 0 40 EDAB CC(C)C(=O)N1CCN(C(=O)c2ccoc2)C[C@@]2(CC(=O)N(C)C2)C1 96036063 VAIQHVNEZXLCHM-GOSISDBHSA-N 347.415 1.069 0 40 EDAB Cc1ccsc1C(=O)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 96188647 DDXVZZQPYAZGKR-CYBMUJFWSA-N 342.428 1.817 0 40 EDAB COCC(=O)N1Cc2cncn2C[C@@H](COCc2ccncc2)C1 96208320 AQZCQGUNKDCQIN-HNNXBMFYSA-N 330.388 1.100 0 40 EDAB CCN1CCN(C(=O)c2nnn(Cc3ccc(C)cc3)c2OC)CC1 96183370 BIOICUCBLDZOQM-UHFFFAOYSA-N 343.431 1.421 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2)c1ccco1 96206739 MOGPUWIPPPWKQE-BZNIZROVSA-N 332.335 1.092 0 40 EDAB C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Cc1cnccc1C(F)(F)F 580580420 BSTGMLOJZTXZAS-BXUZGUMPSA-N 345.365 1.556 0 40 EDAB CN1C(=O)[C@H](c2ccccc2)CC12CCN(S(=O)(=O)C1CC1)CC2 96199445 KWSCPGFGTHOKQV-INIZCTEOSA-N 348.468 1.959 0 40 EDAB O=C(N[C@H]1CN(Cc2ccco2)[C@H]2CCCO[C@@H]12)c1cccnc1 96056358 MBIZPISHEOIYDM-ULQDDVLXSA-N 327.384 1.836 0 40 EDAB CC(C)n1cc([C@@]2(O)CCN(Cc3noc4c3CCCC4)C2)nn1 583618368 QCLOSQSFUPMBIO-QGZVFWFLSA-N 331.420 1.819 0 40 EDAB Cc1csc([C@@H]2CN(CC(=O)Nc3cc(C)nn3C)CCO2)n1 97199600 SWPUTGKNSBZJIP-LBPRGKRZSA-N 335.433 1.505 0 40 EDAB Cc1occc1C(=O)N1CCC2(CC1)CN(CC1CC1)C(=O)CO2 96201397 NJVCYTMJSTZHNY-UHFFFAOYSA-N 332.400 1.832 0 40 EDAB c1cncc(CN2CCO[C@@]3(CCCN(c4nncs4)C3)C2)c1 96226623 QDRNBXMJARTTNP-INIZCTEOSA-N 331.445 1.805 0 40 EDAB CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@@H](CCO)C(F)F)cc1 585087736 MCZOKCFUSUYXGK-ZDUSSCGKSA-N 342.386 1.846 0 40 EDAB CC(C)(C)OC(=O)N1[C@@H](CNCC(=O)NCC2CC2)COC1(C)C 585117029 PJPDBWUSYUVJMT-ZDUSSCGKSA-N 341.452 1.474 0 40 EDAB Cc1nn(CCN2CCC(OCc3ccccc3F)CC2)c(=O)o1 585133203 AQADNHSLZHECNP-UHFFFAOYSA-N 335.379 1.965 0 40 EDAB Cc1ncccc1C(=O)NCc1ccnc([C@@H]2CN(C)CCO2)n1 257214049 CKHKXDSXCOTGPS-HNNXBMFYSA-N 327.388 1.113 0 40 EDAB Cc1ccn(CCC(=O)N2CCC[C@H]2c2cncc(CN(C)C)n2)n1 257340358 ZFQKWYMTPLRMGK-KRWDZBQOSA-N 342.447 1.797 0 40 EDAB CNC(=O)c1sc2nc([C@H]3CCCN3C(=O)COC)ccc2c1N 257202920 ANWZCVHFXVIKFQ-LLVKDONJSA-N 348.428 1.548 0 40 EDAB CC1(C(N)=O)CCN(Cc2cnn(-c3ccccc3C(=O)O)c2)CC1 257273962 NIXYLVYFGNOGEF-UHFFFAOYSA-N 342.399 1.658 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)Cn1ccnc1 257243665 IHZKBMLWVCCKBE-INIZCTEOSA-N 342.399 1.324 0 40 EDAB CNC(=O)[C@H]1CN(CCc2ccccc2)CCN(C2CCOCC2)C1 257240956 HVWNAMGHZHPZII-SFHVURJKSA-N 345.487 1.388 0 40 EDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccn1 257216810 CWEAZIWXKVKKBS-JTOWHCCKSA-N 328.416 1.871 0 40 EDAB Cc1ccccc1S(=O)(=O)N1CCOC[C@@H]1CCc1cnccn1 257235179 GWUHIZCMIHJXPS-INIZCTEOSA-N 347.440 1.807 0 40 EDAB COCc1cccc(C(=O)N2CCOC[C@@H]2c2cc(O)nc(C)n2)c1 257261425 LHFZHNNBAAMRAC-MRXNPFEDSA-N 343.383 1.851 0 40 EDAB COc1cccc([C@@H]2[C@@H](C(=O)NCCC(=O)O)CC(=O)N2C2CC2)c1 263567910 GSOPFOFDNMOFST-WMLDXEAASA-N 346.383 1.338 0 40 EDAB Cc1cc(C(=O)N2CSC[C@@H]2C(=O)NCc2ccccc2)on1 24661582 HFQUVGFDKCOCMB-CYBMUJFWSA-N 331.397 1.815 0 40 EDAB CCC1(N2CCOCC2)CCN(C(=O)NCC2=CCOCC2)CC1 606445794 MVCRAEJHIOYHNM-UHFFFAOYSA-N 337.464 1.620 0 40 EDAB O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)c1ccns1 1615589576 DOLXYEFYUTXCBI-LLVKDONJSA-N 343.416 1.227 0 40 EDAB CO[C@H]1CN(CC(=O)N2CCOCC2)CC[C@@H]1Cc1ccccc1 585279874 RTUNHJCNOPNAMG-MSOLQXFVSA-N 332.444 1.425 0 40 EDAB Cn1cnc2c1C[C@@H](CO)N(C(=O)CC1Cc3ccccc3C1)C2 585094881 RYDSNVTWPUCWHP-INIZCTEOSA-N 325.412 1.471 0 40 EDAB Cc1cccc(C(=O)N2Cc3ncn(C)c3C[C@H]2CN2CCCC2)n1 585094817 NURBIRGWDZCJJM-HNNXBMFYSA-N 339.443 1.786 0 40 EDAB CC(=O)Nc1nc([C@@H]2CCCN2CC(=O)Nc2ccn(C)n2)cs1 585273598 XCLYXSXGIAFOQH-LBPRGKRZSA-N 348.432 1.611 0 40 EDAB CC(C)C[C@H](Nc1ccnc(C2CC2)n1)C(=O)N1CC[C@H](N(C)C)C1 585142015 LTOWYURVJLKPQV-HOTGVXAUSA-N 345.491 2.343 0 40 EDAB CC(C)c1ccc(CN2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1 585291484 PDQDBOILDHWBRH-QRVBRYPASA-N 334.460 1.048 0 40 EDAB Cc1ccccc1O[C@@H]1CCC[C@H](NCCCN2CCOCC2)[C@H]1O 585289969 YKDJWBNUEQWHSS-DFQSSKMNSA-N 348.487 1.968 0 40 EDAB CC(=O)N1CCC(N2CCC[C@](O)(COc3ccccc3)C2)CC1 585269256 MZZUZHUHSPSPJE-LJQANCHMSA-N 332.444 1.903 0 40 EDAB CC(C)COc1ccccc1Cn1cnc2c1c(=O)n(C)c(=O)n2C 65611598 LPQBSCYXAMPCJS-UHFFFAOYSA-N 342.399 1.517 0 40 EDAB Cc1csc(=O)n1CCC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 43282924 NUXMWNXLAGSGSV-ZDUSSCGKSA-N 336.417 1.623 0 40 EDAB O=C([C@@H]1CCCN(c2ccccn2)C1)N1CCC[C@H](n2cncn2)C1 72234928 IIECYAXQXAMHDD-CVEARBPZSA-N 340.431 1.753 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCO[C@H]1CCCC[C@@H]1C 53667198 DMDWUYRQKAKHHT-FZMZJTMJSA-N 329.466 1.911 0 40 EDAB c1ccc(C2=NO[C@H](CSc3nc4ncccn4n3)CN2)cc1 57746906 CBOXQQSYQUHSGV-LBPRGKRZSA-N 326.385 1.567 0 40 EDAB CCN(CC)C(=O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 57265277 GTYKFCQDSOJZME-UHFFFAOYSA-N 348.472 1.836 0 40 EDAB CC(C)c1nc([C@@H]2CCCN(c3nc4c(cnn4C)c(=O)[nH]3)C2)no1 72300261 XEUIGVWMTOBKHV-SNVBAGLBSA-N 343.391 1.547 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 108487049 OJHMFUXEARMSST-MXWKQRLJSA-N 330.372 1.208 0 40 EDAB COC(CNC(=O)C(=O)Nc1ccccc1Br)OC 170401104 BKVKRKYKIBGHMH-UHFFFAOYSA-N 331.166 1.123 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)C23CCCN(CCC2)C3)C1 585121494 QVWHBZWOCLLSEY-MRXNPFEDSA-N 333.476 1.627 0 40 EDAB CC(=O)CCC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615161127 VILYJSVYMFMUBP-LJQANCHMSA-N 344.411 1.780 0 40 EDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCn1ncc3ccccc31)C2 12143178 LNPWMVRAIQKYIH-UHFFFAOYSA-N 337.383 1.403 0 40 EDAB COC(=O)[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1c1ccc(F)cc1 12143306 JDAHEKDFRHTGPV-CABCVRRESA-N 348.374 1.163 0 40 EDAB O=C(N[C@@H]1CCCc2nc(N3CCOCC3)ncc21)C1CCCC1 13265692 DYZCZGGPIMGDPX-OAHLLOKOSA-N 330.432 1.997 0 40 EDAB Cn1ccnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 13694328 YDKXVPVAZFNMIR-UHFFFAOYSA-N 325.416 1.131 0 40 EDAB CC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2oc(C)cc2n1 15772297 APURGXBTMSRTSJ-UHFFFAOYSA-N 341.323 1.911 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCC(C)C)cc1 16691813 NTVKQWDKUDMQTC-UHFFFAOYSA-N 342.461 1.868 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1 13586786 OXGMCIAMRCNKTR-UHFFFAOYSA-N 330.818 1.979 0 40 EDAB C[C@@H](C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C)N1CCOCC1 19079755 QKNKQMLEXIMPKU-XJKSGUPXSA-N 346.406 1.486 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 11128163 LWNZZIABGMMMHD-HNNXBMFYSA-N 332.448 1.679 0 40 EDAB COC(=O)c1cc(NC(=O)COC(=O)[C@H]2C[C@H]2C)cc(C(=O)OC)c1 5938492 DHFVUNALFOWNFR-RNCFNFMXSA-N 349.339 1.398 0 40 EDAB O=C([C@H]1CN(c2nccc(C(F)(F)F)n2)CCO1)N1CCCCC1 1888835049 KBHLKGATJROIKU-LLVKDONJSA-N 344.337 1.713 0 40 EDAB Cn1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@H]3C2)n1 1888850270 HUHQOSOFTNRJQL-KBPBESRZSA-N 338.415 1.296 0 40 EDAB O=C(c1ccncc1)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C1 1888850437 QLEUNAPCEGOIJC-HOTGVXAUSA-N 335.411 1.957 0 40 EDAB CC[C@]1(C)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2)C1=O 14201331 HSXLSTAMSOYZRY-NHYWBVRUSA-N 326.780 1.800 0 40 EDAB COc1cnc(C(=O)N2C[C@H]3CCN(CC(C)C)CC[C@H]3C2)cn1 2056223604 VYQKLOGDSUYNCG-GASCZTMLSA-N 332.448 1.925 0 40 EDAB O=C(c1sccc1F)N1C[C@@H]2OCCN(c3cnccn3)[C@H]2C1 2056223912 HFWUUFUJYLJGDI-RYUDHWBXSA-N 334.376 1.407 0 40 EDAB Cc1csc(C(=O)N2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)c1 2056224170 KTYAPTPWEJNCAF-STQMWFEESA-N 330.413 1.576 0 40 EDAB Cc1cc(N2CCN(CC3(O)CCCCC3)CC2)nc(N(C)C)n1 2087126167 ZJWHJWWEYVTSAN-UHFFFAOYSA-N 333.480 1.668 0 40 EDAB Cn1c(=O)c(C(=O)NCc2ccc3c(c2)OCO3)cc2cccnc21 5303548 PYEHNACDJFRCLQ-UHFFFAOYSA-N 337.335 1.592 0 40 EDAB CN(C)[C@@H](CNC(=O)C(=O)NCc1cccs1)c1ccsc1 8863636 KMSYHBLFAAIDHE-ZDUSSCGKSA-N 337.470 1.845 0 40 EDAB COCC(=O)N1CCO[C@@H]2C[C@H](COCc3cccc(C)n3)C[C@@H]21 2055729838 SYQLFEORUKKDMN-HYVNUMGLSA-N 334.416 1.559 0 40 EDAB COCCn1ncc2c1COC[C@H]2CNC(=O)c1cc(C)cs1 2055756536 SEAAVOVZMZMIFF-GFCCVEGCSA-N 335.429 1.943 0 40 EDAB COc1ccc(NC(=O)C(=O)NCC2CCN(C)CC2)cc1Cl 22999048 PFKWAPWBQYAKBM-UHFFFAOYSA-N 339.823 1.745 0 40 EDAB Cc1ncn(CC(=O)NCc2cncc(-c3ccco3)c2)c(=O)c1C 585404296 WESUVTSOOYAENB-UHFFFAOYSA-N 338.367 1.832 0 40 EDAB Cc1cc(OC2CN(C(=O)c3sc(C)nc3C)C2)n2ncnc2n1 618256196 OPJGVZIUNDIUQQ-UHFFFAOYSA-N 344.400 1.409 0 40 EDAB CN1C(=O)N(CC(=O)NCc2cccs2)C(=O)C12CCCCC2 24591618 ZDKSGNWLZGOGRT-UHFFFAOYSA-N 335.429 1.961 0 40 EDAB O=S(=O)(NCc1cccnc1-n1cccn1)N1CCCCCC1 40090048 JJXOCJOYVGLCFY-UHFFFAOYSA-N 335.433 1.478 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1cccnc1 40090126 XLHSOYHHGOZMDE-JSGCOSHPSA-N 325.434 1.397 0 40 EDAB C[C@H]1CN(CCCNC(=O)c2ccnc(-n3ccnc3)c2)C[C@@H](C)O1 50170846 KXXCIJJCLCCLFS-GASCZTMLSA-N 343.431 1.496 0 40 EDAB CNC(=O)NC(=O)CCN1CCC[C@H]1c1cc(OC)ccc1OC 40494037 WOPKONMEAVKWNT-AWEZNQCLSA-N 335.404 1.686 0 40 EDAB O=C(NC[C@H](O)CN1CCCCC1)Nc1ccc2c(c1)OCCO2 40525188 JMGPPGHUILKWIP-AWEZNQCLSA-N 335.404 1.426 0 40 EDAB O=C1CN(C(=O)c2cc3c(F)cc(Br)cc3[nH]2)CCN1 40510380 SCJWNFBLQHAILJ-UHFFFAOYSA-N 340.152 1.642 0 40 EDAB CSc1ccc(Cl)cc1NC(=O)N1CCO[C@H](C(N)=O)C1 51644339 OWNFEIIRUZCIBR-JTQLQIEISA-N 329.809 1.780 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1c[nH]c2cc(Cl)ccc2c1=O 20728932 VTRFKBXKYJKCSW-VIFPVBQESA-N 340.788 1.098 0 40 EDAB NC(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 21446968 NISHMIHPFYNRBN-BBRMVZONSA-N 342.351 1.398 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccoc1C(=O)OC 32804036 HCQMNQQPWCESLD-HNNXBMFYSA-N 328.368 1.739 0 40 EDAB O=C(O)[C@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 34408 FLJHGZDAZQSIIU-SECBINFHSA-N 327.387 1.319 0 40 EDAB Cn1cc(/C=C/C(=O)OCC(C)(C)c2ccccc2)c(=O)n(C)c1=O 60785788 SGCHFNDBQXUTQW-ZHACJKMWSA-N 342.395 1.618 0 40 EDAB CC(=O)NC1(C(=O)N2CCO[C@H](c3nc(C)n[nH]3)C2)CCC(C)CC1 76046701 WGPXBNZYUGTVPZ-WKXXDYOBSA-N 349.435 1.098 0 40 EDAB C[C@@H]1CN(C(=O)c2cc(F)cc3[nH]cnc23)C[C@@H]1N1CCOCC1 76056823 JQRPTRKXGMWDBE-ABAIWWIYSA-N 332.379 1.495 0 40 EDAB Cc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cc(C)nn3C)C2)cc1 77768158 IHSVTJKILXZFPX-CQSZACIVSA-N 341.415 1.371 0 40 EDAB CCCCOC(=O)NC(=O)c1cn(C2CCCCC2)c(=O)[nH]c1=O 1622439 RTTCWALEYQTCPN-UHFFFAOYSA-N 337.376 1.708 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(CC(=O)Nc3ccncc3)CCO2)n1 78879698 OQOSPAFPTRNBLS-ZDUSSCGKSA-N 330.392 1.335 0 40 EDAB Cn1ccnc1CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 78869562 XFJJQMAPCIWFGW-UHFFFAOYSA-N 343.355 1.275 0 40 EDAB C[C@@H]1CN=C(N2CCN([C@H](C(N)=O)c3ccc(F)cc3)CC2)S1 79496762 AWZYZVVMPTUTSN-RISCZKNCSA-N 336.436 1.461 0 40 EDAB Cc1nn(CC(=O)N(C)Cc2cn(C)nc2C)cc1Br 2777760 WKYXUSYMUBOIKJ-UHFFFAOYSA-N 340.225 1.655 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nc(N)cc(N)n1 3406348 WYOXWQTZGXGNBU-IUCAKERBSA-N 338.437 1.138 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccccc1C(F)(F)F 23261335 AASOYVBUFLAZCY-UHFFFAOYSA-N 338.351 1.852 0 40 EDAB NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)nc1 42689239 CQXVXPNLVNYBTE-UHFFFAOYSA-N 349.394 1.785 0 40 EDAB C[C@H](C(=O)NCc1cccs1)N1CCN(c2cnccn2)CC1 42633098 WZCWVCKBXRKNIU-CYBMUJFWSA-N 331.445 1.365 0 40 EDAB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(N)=O)nc3n2)cc1 3139899 BRJQHGXMVAFBHN-UHFFFAOYSA-N 337.261 1.918 0 40 EDAB NC(=O)NC(=O)CCN1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 106183672 CHRAWICLKZIFII-SJORKVTESA-N 344.459 1.700 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 106516676 DYYPIKUXJPXFEF-COPLHBTASA-N 337.397 1.714 0 40 EDAB CNC(=O)CNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 25602340 LVICWPGAZGXWEW-INIZCTEOSA-N 338.363 1.617 0 40 EDAB O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1ccc(F)cc1 1847844 DLOLLJULRWTYKM-UHFFFAOYSA-N 329.327 1.911 0 40 EDAB Cc1cccc(CN2CC3(CCN(S(C)(=O)=O)CC3)CC2=O)c1 108527718 PKEYHOCXUBJOAZ-UHFFFAOYSA-N 336.457 1.769 0 40 EDAB CC(=O)N(C)c1nc(Cn2c(-c3ccccc3)noc2=O)cs1 58193609 ORZMMVDSUDEPAT-UHFFFAOYSA-N 330.369 1.991 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@]6(CC=CC[C@]516)[C@H]2[C@@H]43 104287463 JAANWYAEPWLEGD-OVGUFWMDSA-N 331.375 1.739 0 40 EDAB CC(C)Oc1ccc(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)cn1 48248879 ZFLRNCSCXQFPSY-CYBMUJFWSA-N 341.433 1.103 0 40 EDAB CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)F)C1 58265988 ZAQKLRCXSCTKJS-NSHDSACASA-N 348.371 1.577 0 40 EDAB CN(C)C1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1 44935002 OGLUPEWHTLELQX-UHFFFAOYSA-N 336.417 1.117 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CCc1nc2ccccc2c(=O)[nH]1 44979808 SAIJXHZJGASCKV-KRWDZBQOSA-N 348.406 1.378 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCC(c2ccnn2CCO)CC1 58343761 MORALAUZDDDRCZ-KRWDZBQOSA-N 328.416 1.281 0 40 EDAB COC(=O)C12C[C@@H]3C[C@H](CC(NC(=O)c4ccc(=O)oc4)(C3)C1)C2 101415494 ITBSCAOBBJWEIB-VCKYCXPWSA-N 331.368 1.882 0 40 EDAB O=C(CN1CCC(CN2CCCCC2=O)CC1)Nc1cccnc1 72663695 QRXRQEZXXKCWNF-UHFFFAOYSA-N 330.432 1.745 0 40 EDAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1cccc(F)c1 58688185 JSHRTZFMOCSJGS-UHFFFAOYSA-N 333.363 1.697 0 40 EDAB O=C(CN1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1)C1CC1 95398844 YUHPQOCYNAERQG-IBGZPJMESA-N 342.439 1.814 0 40 EDAB O=C(CN1CCO[C@H]2CCC[C@@H]21)NCCCOc1ccccc1F 95397370 UXANQEQLJRUEEM-RDJZCZTQSA-N 336.407 1.964 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 28687817 AMICNTSJCCEHRZ-MDDUGHTDSA-N 345.418 1.650 0 40 EDAB C[C@@H](Cc1ccccc1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 95395404 KSCXESZIJAWUDD-AWEZNQCLSA-N 338.473 1.653 0 40 EDAB COc1cccc([C@H](CNC(=O)[C@H](C)n2cncn2)N2CCCC2)c1 45872382 CNSHQIUGEXNCDP-YOEHRIQHSA-N 343.431 1.801 0 40 EDAB COCCN(CCOC)C(=O)c1nn(-c2ccc(C)cc2C)nc1C 45936494 PPXMSZXUZLDROH-UHFFFAOYSA-N 346.431 1.928 0 40 EDAB COc1ccc(C(=O)N2CCN(c3cn[nH]c(=O)c3Cl)CC2)cc1 29526492 PQCNCXBHBAXMSL-UHFFFAOYSA-N 348.790 1.394 0 40 EDAB COc1ccccc1CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 29600297 YKUIXSUXXFIPPR-UHFFFAOYSA-N 325.324 1.155 0 40 EDAB COC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 46322423 HACIKDXFWYCYBZ-LLVKDONJSA-N 338.354 1.955 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccco1 3349150 MZKHQYOZRAZGAE-AWEZNQCLSA-N 336.413 1.716 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCn2nc3ccccn3c2=O)cc1 48314053 YMTLWDPRZIZWKW-UHFFFAOYSA-N 346.412 1.173 0 40 EDAB Cc1c(CC(=O)N2CCC[C@@H](C(=O)O)C2)c(=O)oc2cc(O)ccc12 12897055 UZEUNHJWDPRYRC-LLVKDONJSA-N 345.351 1.673 0 40 EDAB biogenic O=C(CNC(=O)c1ccccc1)NC[C@H](c1ccco1)N1CCCC1 3444883 NPMOPCRECASUKC-MRXNPFEDSA-N 341.411 1.963 0 40 EDAB Cc1cccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1C 3451925 CZAQSGPMZAORQA-CYBMUJFWSA-N 339.413 1.106 0 40 EDAB CCC12CN3CC(CC)(CN(C1)C31C(=O)N(C)c3ccccc31)C2=O 19323124 WZQZCFFGCUBOLH-UHFFFAOYSA-N 339.439 1.823 0 40 EDAB biogenic CCOC(=O)[C@@H](CSC(=O)CCC(=O)O)NC(=O)OC(C)(C)C 4013974 PDTVSXXPVLBCJF-SECBINFHSA-N 349.405 1.567 0 40 EDAB CCCCn1c(CN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 13811672 INMZWPXAZWOLSW-UHFFFAOYSA-N 333.436 1.220 0 40 EDAB C[C@H](NC(=O)N1CCC(NS(C)(=O)=O)CC1)c1cccc(F)c1 65440092 QFXXGSVCFIFLSW-NSHDSACASA-N 343.424 1.610 0 40 EDAB C[C@H](Sc1ncn[nH]1)C(=O)Nc1ccc(N2CCOCC2)cc1 6365840 KBSXSLKTIZKSAP-NSHDSACASA-N 333.417 1.761 0 40 EDAB CCNC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 65576344 SCVRPQQSRHSZGJ-UHFFFAOYSA-N 325.434 1.555 0 40 EDAB COC(=O)C1(NC(=O)C2CCC(NC(N)=O)CC2)CCCCC1 65564893 OCDOITDEPZVOJK-UHFFFAOYSA-N 325.409 1.206 0 40 EDAB O=C(CNS(=O)(=O)c1ccccc1Br)N1CCCC1 14183935 JHIRNTWYGKIIPO-UHFFFAOYSA-N 347.234 1.350 0 40 EDAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc(=O)[nH]n1)CC2 6662840 QOGWYBABWOHNFN-SNVBAGLBSA-N 329.356 1.547 0 40 EDAB CN1CC[C@H](CNC(=O)NCCCn2ccnn2)c2ccccc21 96009826 SMKJCVSXBKEDNC-CQSZACIVSA-N 328.420 1.591 0 40 EDAB CS(=O)(=O)c1ccccc1NC(=O)COC(=O)c1cccs1 9314918 DLSZPJZFXPTDRQ-UHFFFAOYSA-N 339.394 1.947 0 40 EDAB Cc1noc(N)c1C(=O)O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 9314132 OJPXDPPAIHARSC-SECBINFHSA-N 347.327 1.156 0 40 EDAB COc1cc2[nH]c(=O)c(C(=O)NCc3ccco3)c(O)c2cc1OC 9332414 BMKKTVFGLIWHKA-UHFFFAOYSA-N 344.323 1.774 0 40 EDAB biogenic CN(C)C(=O)c1ccc(CN2CCN(CC3CCCC3)C(=O)C2)[nH]1 93771961 HLNBWWVPJXAFIX-UHFFFAOYSA-N 332.448 1.551 0 40 EDAB CON(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)ccn2)cc1 9468430 AMKGHYNXVZVOMI-UHFFFAOYSA-N 335.385 1.824 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16025085 KURIEINIQSRWTQ-WVNJSLPRSA-N 345.374 1.366 0 40 EDAB COc1ccccc1CNC(=O)[C@H](C)N1CCCN(C(C)=O)CC1 16444346 KGARBCZXQIQONB-AWEZNQCLSA-N 333.432 1.254 0 40 EDAB COc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(OC)c1OC 9453262 ZHBSEXHHJLGRKX-UHFFFAOYSA-N 346.383 1.948 0 40 EDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 8186552 JWGHRNHPLMTHTO-QWRGUYRKSA-N 342.417 1.452 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCCc1ccncc1 96345284 MGDSZZCXHLWXQO-UHFFFAOYSA-N 326.400 1.266 0 40 EDAB COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@@H]2C=C[C@H](CO)C2)CC1=O 81766461 XCFBPFCQGKRJTA-SOUVJXGZSA-N 344.411 1.410 0 40 EDAB CC(=O)NCCNC(=O)c1cccc(NC(=O)c2cccs2)c1 8427888 ORQNPENNMZIGIR-UHFFFAOYSA-N 331.397 1.866 0 40 EDAB Cc1nc(CN2CCC[C@@H](NC[C@](C)(O)c3ccccc3)C2)no1 69536385 OGSQYBZCPFQRMH-AEFFLSMTSA-N 330.432 1.840 0 40 EDAB Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nnc(S(C)(=O)=O)[nH]2)s1 69518523 WZGXHBCVCRNSPI-YUMQZZPRSA-N 326.403 1.320 0 40 EDAB CCCc1nc(C)c(C(=O)N2CCC(S(N)(=O)=O)CC2)s1 69599962 COQZYRBNNJLZCU-UHFFFAOYSA-N 331.463 1.297 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1C 69633148 AEBFXMNXVNSLGY-UHFFFAOYSA-N 334.763 1.402 0 40 EDAB C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 69780033 YAQLIKCYBRFJNR-MRVPVSSYSA-N 331.294 1.591 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1ccc2nncn2c1 69703769 VNGHRCVGXSLNFE-CYBMUJFWSA-N 345.403 1.859 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@H](n2ccnc2)C1 69778856 AHIAAFKMGAPWLW-INIZCTEOSA-N 337.387 1.265 0 40 EDAB COc1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc(OC)c1C 69739663 BPDVYDZITWZKJV-CQSZACIVSA-N 349.475 1.626 0 40 EDAB CCc1nc2n(n1)C[C@@H](NC[C@H](O)COCc1ccccc1)CC2 69875252 AURITJDZEUWWMM-HOTGVXAUSA-N 330.432 1.323 0 40 EDAB C[C@@H](C(=O)NC1CCCC1)N1CCN(C[C@H](O)c2ccccc2)CC1 69844953 UVHGYXIAJBHCOE-LPHOPBHVSA-N 345.487 1.785 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 69923851 HGUPLIREBBDQNS-CVEARBPZSA-N 335.448 1.964 0 40 EDAB COc1ccc(OCc2noc(CNCCn3cccn3)n2)cc1 69947643 YEFWBXNVDOPKAR-UHFFFAOYSA-N 329.360 1.644 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2nc3nccc(C)n3n2)n1 71870126 BDBLWJZLNNPEBX-CQSZACIVSA-N 339.403 1.551 0 40 EDAB Cc1cc(C)n(CCC(=O)N2CCC(Nc3cccnn3)CC2)n1 71863355 MBTSMYFYXMFVHQ-UHFFFAOYSA-N 328.420 1.783 0 40 EDAB COC(=O)c1cc(C(=O)OC)n(CC(=O)Nc2cccc(C)c2C)n1 95452305 HGJMVOUZAXRZSV-UHFFFAOYSA-N 345.355 1.712 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)[C@H]2CCC(=O)C[C@@H]2C)cc1F 95447034 RLTMTFOEUMFVET-WFASDCNBSA-N 334.391 1.985 0 40 EDAB O=C(CNC(=O)NC[C@H]1C[C@]12CCc1ccccc12)NCC1CC1 97048282 RVEXOTVMYQOZBE-DNVCBOLYSA-N 327.428 1.716 0 40 EDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Cc1n[nH]c3ccccc13)CC2 95400724 MQJKJOLNGDEZKN-IAGOWNOFSA-N 343.427 1.884 0 40 EDAB Cn1cc([C@H]2[C@@H](C(=O)O)CC(=O)N2CCOc2cccc(F)c2)cn1 72275770 QWJYZLCIEKMIRP-HOCLYGCPSA-N 347.346 1.612 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCC[C@@H](n2nc(C)nc2C)C1)C1CCCC1 72235316 DEWKDPGMKZOIOI-IAGOWNOFSA-N 347.463 1.753 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1F 72268958 XCXSTEKNYUPUPU-HZPDHXFCSA-N 336.407 1.434 0 40 EDAB Cc1cn2c(/C=C/C(=O)N[C@@H]3CCCCNC3=O)c(C)nc2s1 84257695 YPEOPPMPTHFISY-NNNHXZLVSA-N 332.429 1.811 0 40 EDAB Cc1nccn1C[C@H]1CCCN1S(=O)(=O)N(C)Cc1ccco1 84290792 FIUYKQQJMLJGQP-CQSZACIVSA-N 338.433 1.626 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N[C@H]1CCc2nccn2C1 97197908 QDHKRINKUIUJOC-LBPRGKRZSA-N 325.434 1.062 0 40 EDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cc2ccccc2nc1O 72300584 FKZKBGMNXJRYMS-DOMZBBRYSA-N 349.456 1.700 0 40 EDAB CN1C[C@@H](NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)CCC1=O 73860623 JZALUJIYPWMPKW-SWLSCSKDSA-N 343.349 1.617 0 40 EDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1c(C)noc1C 95955159 IWPQYTQWQZXNJJ-KRWDZBQOSA-N 327.384 1.881 0 40 EDAB CCO[C@@H]1C[C@@H](NC[C@H]2CCCN2S(C)(=O)=O)C12CCCC2 95988132 VIFWUQFTWQOPFD-RBSFLKMASA-N 330.494 1.738 0 40 EDAB CCc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)[nH]n1 95976940 SCZJKIACZIYNRZ-QAPCUYQASA-N 342.443 1.585 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)c1C 75126506 UKKVUIIFKQMTQF-HNNXBMFYSA-N 330.363 1.670 0 40 EDAB Cn1cnc(S(=O)(=O)Nc2ccc(Br)cc2O)c1 89756627 BOUZQFRWJZFGII-UHFFFAOYSA-N 332.179 1.689 0 40 EDAB O=C(NCc1cc2cnccc2o1)[C@H]1OCCO[C@H]1C(F)(F)F 1548752128 WENYHALRSAPEEZ-NWDGAFQWSA-N 330.262 1.790 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1CN(CC2CCC2)Cc2ccnn2C1 306127756 GGKXQXHWGFGROK-INIZCTEOSA-N 341.459 1.884 0 40 EDAB O=C(COc1ccc2nsnc2c1)NCc1n[nH]c2c1CCCC2 36741111 QJODBSUZRSSQFJ-UHFFFAOYSA-N 343.412 1.988 0 40 EDAB CS(=O)(=O)c1ccc2nc(NCCN3CCOCC3)sc2c1 36657618 BRNYLLBPKJMCJQ-UHFFFAOYSA-N 341.458 1.444 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)c(F)c1 548528662 BLCWNIGYRJQUHN-ZYHUDNBSSA-N 331.365 1.292 0 40 EDAB NC(=O)C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1F 408997366 GBRIVEHFAPQKSH-AWEZNQCLSA-N 345.330 1.797 0 40 EDAB Cn1nccc1C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 72340750 MBSWONCZGMSJIS-UHFFFAOYSA-N 347.382 1.497 0 40 EDAB CN(Cc1cscn1)C(=O)CCNS(=O)(=O)c1ccccc1 79082671 SGNLKJUIHGQOLA-UHFFFAOYSA-N 339.442 1.470 0 40 EDAB N[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218484667 JKUXKKNUZIABGL-HRCADAONSA-N 337.828 1.970 0 40 EDAB CN1C(=O)CO[C@H](C(=O)Nc2nccs2)[C@H]1c1ccccc1F 72241638 AFRHDHRJWWOIOZ-OLZOCXBDSA-N 335.360 1.819 0 40 EDAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2C[C@@H](O)CN2C[C@H]1C 36718964 BEERMGACMMQTOF-XOSAIJSUSA-N 332.444 1.733 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2F)C1 78602779 BBLJOLNHETTWTI-ZDUSSCGKSA-N 337.395 1.300 0 40 EDAB CCCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCO 217463326 MBDKRTBYPSQMGX-UHFFFAOYSA-N 344.433 1.648 0 40 EDAB CC[C@@](C)(NS(=O)(=O)c1cnn(CC(=O)O)c1)c1nccs1 521619587 CPDMBWRAFFUYEN-GFCCVEGCSA-N 344.418 1.028 0 40 EDAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccco2)C3)CC1 72346971 RBNMQXVBFFYYLA-UHFFFAOYSA-N 342.399 1.798 0 40 EDAB COc1ccc([C@H]2[C@H](C(=O)N3CCN(C)CC3)CCC(=O)N2C)cc1 72242064 CIHKICFBVGFCDJ-AEFFLSMTSA-N 345.443 1.379 0 40 EDAB NS(=O)(=O)NC[C@H]1CCCN(CCCc2ccc(Cl)cc2)C1 77277419 OJUITTQIURKZEU-CQSZACIVSA-N 345.896 1.778 0 40 EDAB O=S1(=O)CC[C@H](N(C2CC2)S(=O)(=O)c2ccccc2F)C1 45810841 HISIGXNSSMFEMA-NSHDSACASA-N 333.406 1.166 0 40 EDAB O=C1CCCN1CCNC(=S)Nc1cccc(N2CCCC2=O)c1 225812700 OMIZDFLCMSWGBJ-UHFFFAOYSA-N 346.456 1.722 0 40 EDAB Cc1nnc(CN(C)CC(=O)Nc2nc3c(s2)CCCC3)n1C 80738163 XBYROQDYVCNYJO-UHFFFAOYSA-N 334.449 1.529 0 40 EDAB O=C(O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 224667324 VTZVOWNLPIGTGZ-UHFFFAOYSA-N 335.337 1.695 0 40 EDAB O=C1COC(=O)N1[C@@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 225703703 PJIHUZMGUYIXMZ-SECBINFHSA-N 344.776 1.082 0 40 EDAB O=C(/C=C/c1ccco1)N1CC(n2cc(CN3CCCC3=O)nn2)C1 225630163 MXNMWWGBXXDTHW-AATRIKPKSA-N 341.371 1.090 0 40 EDAB CCCN[C@H](C)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 573918426 IMNTTWYKCHWRLA-GFCCVEGCSA-N 331.424 1.186 0 40 EDAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)NCc3ccco3)cc2o1 80632969 UDMGBFJRIUUHCA-UHFFFAOYSA-N 328.733 1.846 0 40 EDAB CN1CCN(CCCCNC(=O)N2CCSC(C)(C)C2)CC1 83644211 COJCVZGJOILAKF-UHFFFAOYSA-N 328.526 1.551 0 40 EDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nccs1 85431183 MVDMCTPUMYGDGN-JTQLQIEISA-N 340.430 1.568 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)Cc1noc3ccccc13)CC2 97198237 HKTYYWKCICKRAO-LLVKDONJSA-N 325.372 1.655 0 40 EDAB CCOC[C@@H]1CN(C(=O)COc2ccccc2)Cc2nnn(C)c21 96198519 GSRCGQLCZMAVLD-ZDUSSCGKSA-N 330.388 1.356 0 40 EDAB COC(=O)[C@H](O)C1CCN(Cc2cn(C)nc2-c2ccccc2)CC1 97230941 XMGXLTGDRWWAMB-GOSISDBHSA-N 343.427 1.833 0 40 EDAB COc1ccc(N2C[C@]3(CCN(C(=O)NC4CC4)C3)CC2=O)cc1 96077501 YBPPTBHMTDTOHK-GOSISDBHSA-N 329.400 1.996 0 40 EDAB Cc1cnn(Cc2ccc(NC(=O)N[C@@H]3CCN(C)C3=O)cc2)c1 96415988 AQAXFHBCYVEFHM-OAHLLOKOSA-N 327.388 1.592 0 40 EDAB CCN1CCOC[C@H]1C(=O)N[C@H](C)c1cc(OC)c(OC)cc1C 330640334 BGNWAUFGXUBJQK-HIFRSBDPSA-N 336.432 1.910 0 40 EDAB CCc1ccc(NC(=O)N(C)C[C@@H](O)CN2CCN(C)CC2)cc1 96424065 GKSKUTHJRBBKFP-QGZVFWFLSA-N 334.464 1.321 0 40 EDAB O=C(NCCc1cccs1)[C@]12COC[C@H]1CN(c1ncccn1)C2 96110089 XKVUAOUJUNQRJZ-CXAGYDPISA-N 344.440 1.350 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H]1CCN(CC2CC2)C1 96440569 WZFRCBXVXHEUES-LRDDRELGSA-N 333.480 1.751 0 40 EDAB CN(C)C(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]12 96250916 INMWDTRBWMOZSX-ARFHVFGLSA-N 336.457 1.010 0 40 EDAB CN(C)c1nccc([C@@H]2C[C@@H]3CCN(C(=O)N4CCCC4)C[C@H]3O2)n1 96046389 DTAKCPPTYXBMNN-CWRNSKLLSA-N 345.447 1.910 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(C(=O)c2cc(C)oc2C)C1 583615032 PCBCAZHQGFOTRB-OCCSQVGLSA-N 341.371 1.936 0 40 EDAB O=C(c1ccncn1)N1CCO[C@@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 96041372 UHBZJGMTCSBWNU-ULQDDVLXSA-N 340.383 1.460 0 40 EDAB Cc1cccc(NC(=O)COCc2nc(-c3ccncc3)no2)n1 96182035 LDJPRXAGYMBTQQ-UHFFFAOYSA-N 325.328 1.990 0 40 EDAB O=C(c1cnoc1)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107556 PXZKJPPWPZQQEG-YOEHRIQHSA-N 329.356 1.912 0 40 EDAB COCCN1CCOC[C@@]2(CCCN(C(=O)c3cccnc3)C2)C1 96076294 AFDOHLKAAPIYJR-SFHVURJKSA-N 333.432 1.283 0 40 EDAB O=C(Cc1ccc(Cl)cc1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 585089721 WROQPJZILZNPHW-HNNXBMFYSA-N 343.832 1.299 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccns2)C1 585131177 NVHYMMQGMZSVRP-LLVKDONJSA-N 331.463 1.163 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)cc1 585114692 RZXRJZQCGAFSPK-HZPDHXFCSA-N 338.473 1.773 0 40 EDAB O=C(C1CCOCC1)N1CCC2(CCO[C@@H]2Cc2cncnc2)CC1 257309186 TZWKQUKZOODLRC-QGZVFWFLSA-N 345.443 1.843 0 40 EDAB Cc1nc(C[C@H]2CCCN(c3ncccn3)C2)cc(C(=O)N(C)C)n1 257339280 ZBAQOQLXERYRCL-CQSZACIVSA-N 340.431 1.736 0 40 EDAB CN(C(=O)c1cn(C)cn1)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257325295 WSIGLJTXUOZDIP-IKGGRYGDSA-N 347.390 1.992 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)c1C 257296166 RBMOEJONBPYIGF-ZDUSSCGKSA-N 337.449 1.578 0 40 EDAB CN(C)CCNC(=O)c1sc2ccccc2c1[C@H]1CNCCO1 257322580 WGODMTMRYNTFON-CYBMUJFWSA-N 333.457 1.854 0 40 EDAB CNc1nc([C@@H]2CCN(C(=O)c3ccn(C)n3)C2)c2sccn12 257252175 JTUXBBULZMEMAS-SNVBAGLBSA-N 330.417 1.801 0 40 EDAB CC(C)(CN1CCOCC1)NC(=O)c1cncc(-c2cncnc2)c1 257251827 JSKQMGFXDRDQMS-UHFFFAOYSA-N 341.415 1.379 0 40 EDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CC2CCOCC2)n1 257287119 POPGGUYFLNVABQ-QGZVFWFLSA-N 346.431 1.593 0 40 EDAB Cc1csc(C(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)c1 257315998 VDRGALAJZMWZFA-KRWDZBQOSA-N 346.456 1.950 0 40 EDAB O=C(Cn1cnc2c1CCNC21CCOCC1)N(C1CC1)C1CC1 1614626958 SOIGSWLHWRANCD-UHFFFAOYSA-N 330.432 1.188 0 40 EDAB CNc1ncncc1NC(=O)c1ccccc1CN1CCOCC1 1616032401 NLLVXWWAQGAYKU-UHFFFAOYSA-N 327.388 1.603 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCCn1ccnc1-c1ncccn1 96099059 VBHFVUBYDUWSCB-AWEZNQCLSA-N 337.383 1.924 0 40 EDAB CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 575425407 YVUKFJKMGBFINT-ZDUSSCGKSA-N 335.422 1.414 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 575403073 CPLWHJJVQCAPGB-LLVKDONJSA-N 330.381 1.183 0 40 EDAB O=C(NC1CC(F)(F)C1)[C@H]1CN(C(=O)CC2CC2)Cc2ccnn21 575404933 PPJQFCNJDKOKEH-CYBMUJFWSA-N 338.358 1.480 0 40 EDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1cnc(C2CC2)nc1 585279150 URPJZZGWSNEEOA-QGZVFWFLSA-N 332.404 1.111 0 40 EDAB CO[C@]1(COc2ccc(F)cc2)CCCN(C(=O)CNC(C)=O)C1 585274934 RVEDBOALTYBQGI-QGZVFWFLSA-N 338.379 1.348 0 40 EDAB COc1ccccc1CN(C)C(=O)[C@@H]1CC[C@@H](N(C)C(C)=O)[C@H]1OC 585280383 HCUJTKYLTIJNLW-NUJGCVRESA-N 348.443 1.926 0 40 EDAB Cc1cccc(S(=O)(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)c1 585098405 XPLMUVGLPISQNP-MRXNPFEDSA-N 348.472 1.716 0 40 EDAB O=C(NCCNC(=O)c1cnc2ccccc2n1)c1ccc(O)cc1 47552760 GRRJBLKRFSZEBR-UHFFFAOYSA-N 336.351 1.495 0 40 EDAB CCOc1ccccc1OC1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 56289690 JXCTXISRNNSZBF-AWEZNQCLSA-N 346.427 1.933 0 40 EDAB CN(C)C(=O)c1cnn(CC2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 72367480 RSTNGAWVIUWHFP-IAGOWNOFSA-N 334.464 1.600 0 40 EDAB CCn1nc(C)c(C(=O)OCCn2nc3ccccn3c2=O)c1Cl 76090347 PVVIDDQAYPGUOD-UHFFFAOYSA-N 349.778 1.531 0 40 EDAB CCOC(=O)c1cnn2ccc(NC(=O)Cc3nonc3C)cc12 1597722715 ZHEFKFVXIKHDLX-UHFFFAOYSA-N 329.316 1.384 0 40 EDAB COCc1ccccc1CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 40501673 ROEMIYNZJHRFGS-CHWSQXEVSA-N 328.434 1.277 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 41673671 QPNMRKSQTAGFBH-CYBMUJFWSA-N 349.456 1.498 0 40 EDAB Cc1cc(C(=O)N(C)CC(C)(CO)CO)ccc1Br 97079709 GVTCWWMDKTYPRU-UHFFFAOYSA-N 330.222 1.820 0 40 EDAB COc1cc(C(=O)NCCN2CCc3c(Cl)cccc3C2)ncn1 1615001002 HMHJZYCYLPXLPW-UHFFFAOYSA-N 346.818 1.927 0 40 EDAB O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1C=CS(=O)(=O)C1 13718513 MFAXOPOAUZVVIG-LBPRGKRZSA-N 334.422 1.780 0 40 EDAB COC[C@@H](C)NC(=O)c1cc2c(=O)n3cc(C)ccc3nc2s1 17122397 RNNXXHYSZUYCGP-SNVBAGLBSA-N 331.397 1.982 0 40 EDAB Cc1cc2nc([C@@H]3CCCN3C(=O)CCn3cnnn3)[nH]c2cc1C 19125353 BRFVCVRYWKSKMG-HNNXBMFYSA-N 339.403 1.920 0 40 EDAB COCCC(=O)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19593081 BRUAMADODMIJHA-ZDUSSCGKSA-N 328.372 1.184 0 40 EDAB O=C(O)[C@@H](NS(=O)(=O)c1csc2ccccc12)[C@H]1CCOC1 556774040 XNAKWHWAUQAZNK-ZANVPECISA-N 341.410 1.669 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC[C@H](Oc2cc(C)nc(C)n2)C1 575605242 OTNNWAZSHUPCFO-ZDUSSCGKSA-N 345.403 1.519 0 40 EDAB O=C(CC1CCCC1)OCCN1C(=O)c2ccccc2S1(=O)=O 7108256 ONXBWKOAOFNWLZ-UHFFFAOYSA-N 337.397 1.955 0 40 EDAB Cc1cnc(N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)nc1 1888854227 MMHLHNOIGAPKKY-VXGBXAGGSA-N 330.367 1.301 0 40 EDAB COc1cc(C(=O)N2C[C@H]3[C@@H](CC(=O)Nc4cccnc4)[C@H]3C2)on1 2055747135 KYRWXWSESQHTEX-CLLJXQQHSA-N 342.355 1.425 0 40 EDAB CCC(=O)N1CCC(Nc2ccccc2)(C(=O)NCCOC)CC1 2055756473 PKBLQWHAFNYKAW-UHFFFAOYSA-N 333.432 1.632 0 40 EDAB Cc1nnc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)c2ccccc12 2086864841 MTQQLXZSQXHMEL-CYBMUJFWSA-N 346.456 1.989 0 40 EDAB Cn1ccc2ccn(CCNC(=O)c3ccc4c(c3)OCO4)c(=O)c21 575615044 AXFXVXWBNKSLDF-UHFFFAOYSA-N 339.351 1.499 0 40 EDAB COCc1cn([C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3)C2)nn1 585149793 WBJNEHYKWCGTNC-UKRRQHHQSA-N 330.388 1.665 0 40 EDAB CC(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 40476385 HAMIFGGZDXXXAJ-INIZCTEOSA-N 348.447 1.680 0 40 EDAB O=C(CCS(=O)(=O)C[C@H]1CCCO1)NCc1ccccc1Cl 40498865 JVIWSLOCGSJODW-CYBMUJFWSA-N 345.848 1.940 0 40 EDAB O=S(=O)(c1ccc(CN2CCC(CO)CC2)o1)N1CCCC1 40540136 SGYFPHRBTQMVQD-UHFFFAOYSA-N 328.434 1.268 0 40 EDAB O=C(N[C@H]1CCCCNC1=O)c1ccc(OCC(F)(F)F)nc1 40522241 LBEMGURVBWXVLV-JTQLQIEISA-N 331.294 1.421 0 40 EDAB CC(C)NC(=O)c1ccc2c(c1)nc1n2CCN(C(C)(C)CO)C1 20737566 QPQNLWJCVYSAGX-UHFFFAOYSA-N 330.432 1.761 0 40 EDAB CCS(=O)(=O)N[C@H](CCSC)C(=O)NCc1ccccc1 32516986 ZKIOJIILYKFVIU-CYBMUJFWSA-N 330.475 1.364 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 33004760 FKKQEFFMQWJKPT-HIFRSBDPSA-N 335.379 1.516 0 40 EDAB CCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21 532902 FRUPUHPNRLDSNX-MRXNPFEDSA-N 346.412 1.517 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N(CCO)Cc1ccccc1 12321248 XGOXZLBQSJVHQZ-UHFFFAOYSA-N 337.379 1.418 0 40 EDAB Cc1cc(NC(=O)CN2CCN(CCc3ccccn3)CC2)no1 22836387 UOPDTTBHSAJOHH-UHFFFAOYSA-N 329.404 1.177 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)N1CCCCC1 22842921 MVNPNALPOFAOFT-UHFFFAOYSA-N 326.418 1.620 0 40 EDAB CO[C@]12C[C@@]3(CCC4=[N+](C)CCc5cc(O)c(c3c54)O1)CC[C@@H]2O 6472695 YAPXMAINSYHBRI-GDIGMMSISA-O 330.404 1.691 0 40 EDAB CCc1noc2ncc(S(=O)(=O)N(CC)Cc3cnn(C)c3)cc12 97139772 PMDSZOPKNHPVHC-UHFFFAOYSA-N 349.416 1.730 0 40 EDAB CC1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)CC1 7460243 GFJJEIGKKOAONR-UHFFFAOYSA-N 345.487 1.867 0 40 EDAB COc1ccc(CC(=O)N2CCC(N3CCNC3=O)CC2)cc1F 54318276 GOOZWJUIISEWDM-UHFFFAOYSA-N 335.379 1.393 0 40 EDAB CC(=O)N[C@H](CC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1 23640229 XLLSTHQTVQJFTK-QGZVFWFLSA-N 347.459 1.481 0 40 EDAB CNC(=O)[C@@H]1CN(CC(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2O1 12550805 SMWSNSNJKFKMAX-VBQJREDUSA-N 345.443 1.695 0 40 EDAB COCCNC(=O)N1CCN(c2ccc(Br)cn2)CC1 42842824 DCQWZEDKTGEJKP-UHFFFAOYSA-N 343.225 1.322 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)CCN2C(=O)NC(C)(C)C2=O)c1 8746090 CFRJTDCKGHLANM-UHFFFAOYSA-N 347.371 1.441 0 40 EDAB COc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cn1 24431483 AQEWVBRHNXMWCZ-UHFFFAOYSA-N 327.262 1.909 0 40 EDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 106524470 UDUMKSAFMOJIPK-MELADBBJSA-N 332.466 1.484 0 40 EDAB CC(C)[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1Cl)C(=O)O 3205169 WXGFBHVJZKZMPZ-SNVBAGLBSA-N 335.765 1.426 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@H]2CC[C@H]1[C@H]2Oc1ncccc1F 109405164 DEPGHBDXTZUJRS-SOUVJXGZSA-N 344.346 1.462 0 40 EDAB COC(=O)c1ccccc1S(=O)(=O)N(C)Cc1c(C)noc1C 57087886 LMUWRPGQPXBRCA-UHFFFAOYSA-N 338.385 1.899 0 40 EDAB C[C@@H](NC[C@H](c1cccs1)N1CCOCC1)C(=O)N1CCCC1 72314840 AQCNRNBMFZAHKS-HUUCEWRRSA-N 337.489 1.722 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccccn2)cc1 48234581 JSWGAWNCTYIGFL-UHFFFAOYSA-N 334.401 1.453 0 40 EDAB Cc1ccc(CNC(=O)[C@H](C)S(=O)(=O)Cc2cc(C)no2)cc1 44643023 QYMGBCGMLVZSMT-ZDUSSCGKSA-N 336.413 1.911 0 40 EDAB COCCN(Cc1cccs1)C(=O)[C@@H]1CCCN(C(N)=O)C1 48279020 GRIZIHZNSWZOJD-GFCCVEGCSA-N 325.434 1.514 0 40 EDAB Cn1cc(CN2CC[C@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cn1 108525876 NDIOSXSUMRLJBH-FUHWJXTLSA-N 332.448 1.271 0 40 EDAB Cc1ccccc1-c1cc(NC(=O)Cn2ncn3nccc3c2=O)[nH]n1 95395827 VCGWICMJXFMQID-UHFFFAOYSA-N 349.354 1.228 0 40 EDAB Cc1cc(NC(=O)NC2CCN(Cc3ccccn3)CC2)n(C)n1 44968497 JGIDFZNLYYCBAB-UHFFFAOYSA-N 328.420 1.910 0 40 EDAB Cc1ccc(CCC(=O)NCC(=O)NC[C@H](C)N2CCCC2)cc1 58304589 IDCINPQQBCQVTG-INIZCTEOSA-N 331.460 1.644 0 40 EDAB COc1cc2c(cc1OC)CN(Cn1nc3c(cc1=O)CCC3)CC2 58402988 KTPGTVUEQMCAJU-UHFFFAOYSA-N 341.411 1.765 0 40 EDAB biogenic C[C@@]1(C(=O)NCc2cccnc2-n2cncn2)CC1(Cl)Cl 36397488 IGRCPQVCVADJPJ-LBPRGKRZSA-N 326.187 1.862 0 40 EDAB O=C1CN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CCN1 12810678 YDARHFCWOUOHPB-UHFFFAOYSA-N 334.376 1.320 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(OC)nc1 28694207 PDGADNFCQZEIJU-UHFFFAOYSA-N 328.371 1.739 0 40 EDAB CCCc1cc(=O)[nH]c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)n1 11443718 WXDYDVSCUNZDEL-QWRGUYRKSA-N 325.434 1.450 0 40 EDAB CCNC(=O)CN1CCCN(C(=O)C(C)(C)c2ccccc2)CC1 60093120 DFXULGYQHSUGJK-UHFFFAOYSA-N 331.460 1.635 0 40 EDAB COc1ccccc1OC[C@@H](O)CN1CCN(c2ncccn2)CC1 71283862 SOKWVAGQQDPNOO-HNNXBMFYSA-N 344.415 1.047 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C1 13551254 DLOJFOHOOWODGE-GFCCVEGCSA-N 343.383 1.267 0 40 EDAB CCOc1c(OC)cc(CNC(=O)c2ccc(=O)[nH]c2)cc1OC 64454798 UGDALUFBBGEGLH-UHFFFAOYSA-N 332.356 1.721 0 40 EDAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCN([C@@H](C)C(=O)NC(C)C)CC1 97372642 KLDVUPJRKKEDOO-DOMZBBRYSA-N 349.479 1.187 0 40 EDAB CCOC(=O)CN1C(=O)S[C@@H](Nc2ccccc2C(=O)O)C1=O 4271910 BZAYRWKOJBITLY-LLVKDONJSA-N 338.341 1.381 0 40 EDAB CCN1CCCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 65494452 SUTDRMXXMRTJEV-UHFFFAOYSA-N 336.413 1.509 0 40 EDAB COC[C@H](O)CN(C)C(=O)N[C@@H](c1ccccc1)c1nccn1C 65435108 MACHXCWJWKBWMS-CABCVRRESA-N 332.404 1.158 0 40 EDAB CC(C)CN1C[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)CC1=O 65406101 NGHYQUBHNMPUHZ-LBPRGKRZSA-N 327.425 1.132 0 40 EDAB O=C1CCCN1Cc1nnc(SC[C@@H]2COC3(CCCC3)O2)o1 65565873 DOXINITUSLDXKI-NSHDSACASA-N 339.417 1.970 0 40 EDAB Cc1nc(COc2ccc(CN[C@@H]3CCCCNC3=O)cc2)no1 65536831 UYSIRLBORUOMIN-OAHLLOKOSA-N 330.388 1.715 0 40 EDAB Cc1ccc(CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)s1 65603860 VWDLQORMSKTAHQ-UHFFFAOYSA-N 345.490 1.622 0 40 EDAB COc1ccnc(N2CCN(C(=O)CCOCC(F)(F)F)CC2)n1 65615038 FYLRSQYKLIEZOZ-UHFFFAOYSA-N 348.325 1.103 0 40 EDAB O=C(CCNC(=O)c1ccccc1)Nc1cccc(-n2cnnn2)c1 5451602 XFCHGDJLNNWVPQ-UHFFFAOYSA-N 336.355 1.421 0 40 EDAB Cc1ccc(C)c(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)c1 6549336 HGTNVFDLAZUVLO-CQSZACIVSA-N 347.440 1.962 0 40 EDAB O=C(CSCCCc1ccccc1)N[C@H]1CCS(=O)(=O)C1 6654566 BMTLBGPSBUKEJO-AWEZNQCLSA-N 327.471 1.656 0 40 EDAB CN1C[C@H](C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)CC1=O 66770444 BOKHMTAHOAQBJU-OCCSQVGLSA-N 330.384 1.600 0 40 EDAB CCOCCNC(=O)c1nnn(-c2ccc3ncccc3c2)c1C 66824105 KUBJYTBMFDQXTJ-UHFFFAOYSA-N 325.372 1.890 0 40 EDAB Cc1cc2nc(SCC(N)=O)n(-c3ccc(F)cc3)c(=O)c2[nH]1 67239395 IIUJTFBNKKLOAL-UHFFFAOYSA-N 332.360 1.739 0 40 EDAB CCOC(=O)CCS(=O)(=O)N1CCCC[C@@H]1c1cccn1C 80770549 MRMWHTWDUKIOQO-CQSZACIVSA-N 328.434 1.835 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)c2cccc3c2OCC(=O)N3)no1 72299237 MSPLLFGVEFYKJV-LBPRGKRZSA-N 342.355 1.940 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)Cn2ncc(=O)c3ccccc32)cn1 71796888 QUZMRBLSAHIRTM-OAHLLOKOSA-N 337.383 1.494 0 40 EDAB Cc1cn2nc(N[C@H]3CCCN(Cc4noc(C)n4)C3)sc2n1 72276352 SKJFJIIFVOEPBP-NSHDSACASA-N 333.421 1.867 0 40 EDAB COCC(=O)N1CCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1 72271331 GHDWVQXPWYYEHY-HNNXBMFYSA-N 333.432 1.865 0 40 EDAB Cc1noc(C)c1C(=O)OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 16683528 NTTMCUGMIUELOH-UHFFFAOYSA-N 345.355 1.895 0 40 EDAB CC[C@]1(C)NC(=O)N(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)C1=O 8131708 JQWVAFNXUDQDLL-PSLIRLAXSA-N 339.779 1.859 0 40 EDAB COC(=O)CNC(=O)CSc1nnc(NC2CCCCC2)s1 9513508 YKJIKHKDEMNQEE-UHFFFAOYSA-N 344.462 1.664 0 40 EDAB COc1ccccc1CNC(=O)[C@@H](C)N1CC(n2cc(C)cn2)C1 70018261 DDYJRDJSMNSHEQ-CQSZACIVSA-N 328.416 1.762 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCN(CC(=O)NC2CCCC2)CC1 69386651 HBBLINQIKSHVHD-CYBMUJFWSA-N 347.463 1.684 0 40 EDAB CC(C)(CO)N1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 72289465 BWGQBMYNAFPDBC-UHFFFAOYSA-N 339.867 1.345 0 40 EDAB O=C(CN1CCO[C@H](Cn2cccn2)C1)N1CCc2ccccc2C1 69451548 ZSOVTELGQLAZEX-SFHVURJKSA-N 340.427 1.169 0 40 EDAB Cc1cc(C)n2cc(CN3CCC[C@@H]3C(=O)N3CCOCC3)nc2n1 69443977 MVKHBLLGARQXRH-MRXNPFEDSA-N 343.431 1.169 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)NCCN2CCCC[C@@H]2C)C1 69416571 RRUPJZXBPZHAFW-UONOGXRCSA-N 326.441 1.391 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccn(-c2cccc(F)c2)n1 71829446 NFRNMMRBZWWPFC-RYUDHWBXSA-N 330.363 1.737 0 40 EDAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCc2cncnc2C1 69570207 YQBRVFOKJYICKD-VIFPVBQESA-N 331.401 1.022 0 40 EDAB NC(=O)C1(CNC(=O)c2cnc(-c3ccccc3)nc2)CCOCC1 71834667 VUTZMFRLCSDSDL-UHFFFAOYSA-N 340.383 1.156 0 40 EDAB CCOc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1OC 61650495 XELZWHRGONPAAL-LSDHHAIUSA-N 334.416 1.687 0 40 EDAB Cc1cnn([C@H](C)[C@H](C)NCC(=O)NC2CCN(C3CC3)CC2)c1 69624594 VPPNJAHIVZQRNO-LSDHHAIUSA-N 333.480 1.474 0 40 EDAB C[C@@H](NC(=O)CN[C@@H]1CCc2ncnn2C1)c1cc2ccccc2o1 69740478 NLCNNRBDCHIWKL-TZMCWYRMSA-N 339.399 1.806 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2[C@H](C(N)=O)c2ccccc2)n1 69703552 UWBZEWKCYWIRJU-SJORKVTESA-N 327.432 1.976 0 40 EDAB Cn1cc(CN2CCCN(C(=O)CCOCC(F)(F)F)CC2)cn1 69776778 HMQXMSBOMTXVEB-UHFFFAOYSA-N 348.369 1.423 0 40 EDAB CC[C@H]1CN(CC(=O)Nc2ccnn2C(C)C)CCN1CCOC 69738379 CVOGGRZTWCMZMI-HNNXBMFYSA-N 337.468 1.445 0 40 EDAB O=C(CCN1CCC[C@@H](N2CCNC2=O)C1)N1CCc2ccccc21 69737267 FXVDYTKEXMJXDC-MRXNPFEDSA-N 342.443 1.455 0 40 EDAB COC(=O)CN(C)C(=O)CCN[C@H](c1ccccc1)c1ccccn1 69705754 FUJFSQJIEOOHMC-LJQANCHMSA-N 341.411 1.782 0 40 EDAB O=C1NCCN1[C@H]1CCCN(Cc2cnn(-c3ccccc3)n2)C1 71841094 WMRJCGFQXBDRJB-INIZCTEOSA-N 326.404 1.257 0 40 EDAB C[C@H](CC(=O)N1CCN(CCN2C(=O)CCC2=O)CC1)C(C)(C)C 71888984 NYNLBIKQJJSCJZ-CQSZACIVSA-N 337.464 1.352 0 40 EDAB COc1cccc(CN2Cc3ncnn3C[C@@H](C(=O)N(C)C)C2)c1 306135154 OJKLUAQWLZALLB-AWEZNQCLSA-N 329.404 1.007 0 40 EDAB CCOc1ccc2nc(SCCCS(=O)(=O)NC)[nH]c2c1 69975541 ZZWUAKAESXMFSN-UHFFFAOYSA-N 329.447 1.993 0 40 EDAB CCOCC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 71900078 RPKPSBCGPCRXGU-OAHLLOKOSA-N 348.399 1.829 0 40 EDAB CC[C@H]1CN(CC(=O)N(C)Cc2ccsc2)CCN1C[C@@H](C)O 72279712 RIXNIVFYDXDQLK-ZBFHGGJFSA-N 339.505 1.484 0 40 EDAB C[C@H](NCC(=O)NCCOc1ccc(F)cc1)[C@@H](C)n1cccn1 72269697 PBJCNKKFBPFDDS-UONOGXRCSA-N 334.395 1.757 0 40 EDAB C[C@H](C[C@@H](O)c1ccco1)NS(=O)(=O)N(C)C1CCOCC1 95462052 ZUCRXNYAXPOYQS-DGCLKSJQSA-N 332.422 1.037 0 40 EDAB O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)[C@@H]1Cc2ccccc2CN1 95971175 AXJHHJFUMJDEON-MSOLQXFVSA-N 341.455 1.751 0 40 EDAB C[C@H](NS(=O)(=O)c1cnn(C)c1)[C@@H](O)c1ccc(Cl)cc1 95972928 QSJQKOZEWSWEPL-TVQRCGJNSA-N 329.809 1.474 0 40 EDAB C[C@H]1OCC[C@H]1NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 89592524 HTQCLJCNDKTLPG-CZUORRHYSA-N 337.851 1.756 0 40 EDAB CC(C)c1n[nH]c(=S)n1CCNC(=O)CNC(=O)c1ccoc1 75399131 OQJITXCAILIGHI-UHFFFAOYSA-N 337.405 1.203 0 40 EDAB O=C(CCn1cccn1)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 89825833 HEFHKBYOIMEWQW-MRXNPFEDSA-N 338.371 1.493 0 40 EDAB CN1C[C@H](CNC(=O)NCc2cncn2C)[C@@H](c2ccccc2)C1 1551233056 DJMBNEDUQDLABU-DOTOQJQBSA-N 327.432 1.565 0 40 EDAB O=C(CCc1nnc2ccc(NC3CCCC3)nn12)N1CCOCC1 32097112 DMDFHKQDVIYXQV-UHFFFAOYSA-N 344.419 1.270 0 40 EDAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCc1ccncc1 408709875 YRQUADDYJJDMKG-UHFFFAOYSA-N 340.383 1.475 0 40 EDAB CN(CCO)Cc1ccc(C(=O)O)cc1I 39952465 NTQXPGLHOKVOOR-UHFFFAOYSA-N 335.141 1.414 0 40 EDAB C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Cc1ccc2c(c1)NC(=O)C2 186914593 JWYMVWZLCQPCLQ-CYBMUJFWSA-N 345.443 1.027 0 40 EDAB Cc1cc(C(=O)NCc2c(C)nn(C)c2C)c2c(C)nn(C)c2n1 72405196 SQUPFFPMRVWEGV-UHFFFAOYSA-N 326.404 1.865 0 40 EDAB Cc1ccc(CC(=O)N2CCC(n3cc(C(=O)O)nn3)CC2)s1 521069528 MHDRQELPFQACCC-UHFFFAOYSA-N 334.401 1.752 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)c2cccnc2)C1 72369551 VUGMERCQQIZBNR-LBPRGKRZSA-N 334.401 1.228 0 40 EDAB COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CCC(=O)N(C)C2)C1 121376057 AOOITOHYYXBAPQ-ZIAGYGMSSA-N 346.431 1.194 0 40 EDAB CNCC(=O)N1CCC[C@H](c2cccc(Nc3nnc(C)s3)n2)C1 72383006 KHNLAWKWACDPOX-LBPRGKRZSA-N 346.460 1.911 0 40 EDAB COCc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1 24678037 QMMAYPDMHBSKFJ-HNNXBMFYSA-N 340.445 1.377 0 40 EDAB C[C@@H](NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1ccncc1 32808749 WDTZEDUFFMFTJF-CYBMUJFWSA-N 344.415 1.904 0 40 EDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 72242258 MFIQWWCBAKKFJW-DOTOQJQBSA-N 335.423 1.803 0 40 EDAB CCN1CCN(c2ncc3c(n2)CN(Cc2ccco2)C3=O)CC1 46087108 XCFQCBQOQPAWLO-UHFFFAOYSA-N 327.388 1.368 0 40 EDAB Cc1nc2c([nH]1)CC[C@H](C(=O)N1CCN(c3ccccn3)CC1)C2 225518715 WIQFBQAIQDVWOJ-AWEZNQCLSA-N 325.416 1.567 0 40 EDAB C[C@@H](NS(=O)(=O)N(C)C)c1noc(-c2ccc(Cl)cc2)n1 80279534 CRMBRCNULQLJRN-MRVPVSSYSA-N 330.797 1.847 0 40 EDAB CSCC[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1SC 75157636 GSXWDFCVNSPJSH-HNNXBMFYSA-N 342.486 1.967 0 40 EDAB O=C(COc1cccc(C(F)(F)F)c1)NCCCN1CCOCC1 45163017 MAJMLHKYWJHSER-UHFFFAOYSA-N 346.349 1.923 0 40 EDAB N#Cc1c[nH]c(C(=O)N(CC2(O)CCCC2)CC2(O)CCCC2)c1 84057966 UWTARXHJVGHYPK-UHFFFAOYSA-N 331.416 1.939 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)s1 225112653 QBOOFTBVMZQRKT-SSDOTTSWSA-N 344.393 1.675 0 40 EDAB CC[C@@H](C(=O)N1CC(S(=O)(=O)c2nccn2C)C1)c1ccccc1 225677297 LBDCRSKZBRTZDH-OAHLLOKOSA-N 347.440 1.598 0 40 EDAB COCCNC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1 40288440 YYKWKSKGYDWKHO-UHFFFAOYSA-N 337.379 1.821 0 40 EDAB Cc1ccccc1O[C@H](C)CNC(=O)Cn1nc2ccccn2c1=O 96426062 RJWBNOVRHBVBDT-CQSZACIVSA-N 340.383 1.388 0 40 EDAB O=C(c1ccncc1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96058165 QKWXGNXUQQFLAF-VYDXJSESSA-N 325.368 1.928 0 40 EDAB COCCN1CCN(C(=O)c2cnc(C)cn2)Cc2ccc(C)nc21 96199034 QSKSYYBNJQKCTJ-UHFFFAOYSA-N 341.415 1.597 0 40 EDAB CCOC(=O)c1cnc(N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)nc1C 585092441 WXOCLFCOOSVEPR-CABCVRRESA-N 348.447 1.873 0 40 EDAB COc1ccc(-c2nnc(NC[C@H]3COC4(CCOCC4)O3)o2)cc1 585092516 BJSUIUURDUFCDH-AWEZNQCLSA-N 347.371 2.079 0 40 EDAB Cc1nc(C(=O)N[C@H](CCO)C(F)F)nn1-c1ccc(F)cc1 585087759 NQMHBSNPKNWDAT-LLVKDONJSA-N 328.294 1.461 0 40 EDAB Cc1ccc(CN2CCc3[nH]nc(C(=O)N4CCOCC4)c3C2)s1 96187399 LZHLJEBNHGMMAO-UHFFFAOYSA-N 346.456 1.810 0 40 EDAB CCc1nc(CN2CCN(C(=O)/C=C/c3ccccn3)CC2)no1 96405459 VHZHPCMMXREMBM-VOTSOKGWSA-N 327.388 1.385 0 40 EDAB O=C1CCCN1Cc1nnc2n1CCCN(Cc1ccsc1)C2 96084758 YWXVZLKVNFRIFK-UHFFFAOYSA-N 331.445 1.868 0 40 EDAB Cc1oc(C)c(C(=O)N(C)CC(C)(CO)CO)c1Br 97236696 BNLVOFDXWURZFV-UHFFFAOYSA-N 334.210 1.722 0 40 EDAB CN(C)C(=O)COC[C@@]12CCO[C@@H]1CCN(Cc1nccs1)C2 96111166 OQRNOAJPDQMFOD-CJNGLKHVSA-N 339.461 1.229 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1ccc(-n2cccn2)cc1 96440693 BUDZOPIQLBGWBW-IUODEOHRSA-N 327.388 1.463 0 40 EDAB Cn1cccc1C(=O)NCc1cnc2n1CCN(c1ccccn1)C2 96201190 OCRQHVUFJPFGPL-UHFFFAOYSA-N 336.399 1.567 0 40 EDAB O=C(c1cccnc1)N1CC[C@@]2(C[C@@H](Oc3ncccn3)CO2)C1 96218758 WBXUQGZKVMKJGN-RHSMWYFYSA-N 326.356 1.324 0 40 EDAB Cc1cccn2cc(CCNC(=O)CN(C)[C@H]3CCSC3)nc12 96486860 SJJHCXPFBYTLIZ-HNNXBMFYSA-N 332.473 1.739 0 40 EDAB Cc1occc1C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 96185614 KMLKUZMZMCUDLB-YCPHGPKFSA-N 329.404 1.415 0 40 EDAB O=C([C@@H](O)Cc1cccc(C(F)(F)F)c1)N1CC[C@@]2(CCNC2)C1 585136934 ZDFSYLSERDFONB-GOEBONIOSA-N 342.361 1.821 0 40 EDAB CCNc1ccc(-c2noc(CCn3c(C)csc3=O)n2)cn1 585120476 PCCCJUJAAAQPOH-UHFFFAOYSA-N 331.401 2.338 0 40 EDAB O=S(=O)(CC[C@H]1CCCO1)NCc1ccn(-c2ccccc2)n1 96472464 OKRHIRRJGCNDIG-MRXNPFEDSA-N 335.429 1.861 0 40 EDAB O=C1C[C@]2(CCCCN2C(=O)[C@H]2CCCO2)CN1Cc1ccncc1 96071750 ZEVUSUCPOFYDCN-VQIMIIECSA-N 343.427 1.744 0 40 EDAB Cc1cc(Br)ccc1CC(=O)N1C[C@H](CO)OC[C@H]1C 97233845 UKMJJHIYSLSDKB-BXUZGUMPSA-N 342.233 1.908 0 40 EDAB Cn1cc(CN2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)cn1 248117820 JDNMGJXODQIOMI-QGZVFWFLSA-N 335.448 1.597 0 40 EDAB Cc1ccnc([C@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 257262357 LLCDETLZMIJWJJ-OAHLLOKOSA-N 330.388 1.923 0 40 EDAB Cc1nccn1CC(=O)N1C[C@H]2CC[C@@H](N(C)c3cnccn3)[C@H]2C1 257303075 SFRFEVKSZIKXCX-OWCLPIDISA-N 340.431 1.355 0 40 EDAB Cc1nccc(CNC(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)n1 252483714 FHHOKFFMCPVJJV-CVEARBPZSA-N 330.363 1.942 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C(=O)C3CCOCC3)CCN2C)c1 257233772 GQRCQSAJTYTUGS-KRWDZBQOSA-N 345.443 1.288 0 40 EDAB CN(C)c1cnc(C[C@H]2CCCN(C(=O)Cn3ccnc3)CC2)cn1 257216399 CUKFCPFIQOHSHR-HNNXBMFYSA-N 342.447 1.611 0 40 EDAB COc1ncccc1C(=O)N1CCC[C@H]1c1nccc(CN(C)C)n1 257279020 OEQRKJPUZAKKAY-HNNXBMFYSA-N 341.415 1.919 0 40 EDAB CN(C)CC(=O)N1CCC(c2nccnc2-c2cncn2C)CC1 257338160 YWEXYVSFMUSSEL-UHFFFAOYSA-N 328.420 1.145 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1cnco1 257279253 OFTMKXLLCZMBNR-CQSZACIVSA-N 329.356 1.729 0 40 EDAB COc1ccccc1[C@@H]1Cn2c(C)cnc2CN1C(=O)CNC(C)=O 257337446 YSUGJIIOTMFEGS-HNNXBMFYSA-N 342.399 1.420 0 40 EDAB CNc1nccnc1[C@@H]1CN(S(=O)(=O)c2cccs2)CCO1 257250360 JMFRQLQNLSVDCG-JTQLQIEISA-N 340.430 1.342 0 40 EDAB O=C(NCc1cccc(F)c1)NCc1nc(-c2ccnc(O)c2)no1 253537723 QMENEMQFMXAVCU-UHFFFAOYSA-N 343.318 1.976 0 40 EDAB CN1CCC[C@H](c2cncc(N3CC4(CCOCC4)OC3=O)n2)C1 257333256 YAVTTYCGEQQOHS-ZDUSSCGKSA-N 332.404 1.792 0 40 EDAB CN(C)c1cc(C[C@H]2COCCN(C(=O)c3cccnc3)C2)ncn1 257212693 CEOWVNMTSFALNG-CQSZACIVSA-N 341.415 1.269 0 40 EDAB CCN(CC)S(=O)(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 257225913 FIJPVMDVMRWXHZ-HZPDHXFCSA-N 342.461 1.477 0 40 EDAB COCc1c(C(=O)N2CCC[C@H](c3ccnc(O)n3)C2)noc1C 257272612 NDBSJBGXMRMFNO-NSHDSACASA-N 332.360 1.645 0 40 EDAB CC(=O)n1ccc2cc(C[C@@H]3COCCN(CC(=O)O)C3)ccc21 257273412 NGMCAOUZVQVEQR-HNNXBMFYSA-N 330.384 1.877 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc(N(C)C)nc(C)n1 257332835 XYWYBMKUIZQPML-CQSZACIVSA-N 341.481 1.575 0 40 EDAB O=C(Nc1ccccc1-n1cncn1)c1cnc2sccn2c1=O 25005873 BCXWYEWSMQVQCG-UHFFFAOYSA-N 338.352 1.589 0 40 EDAB COc1ccccc1CCC(=O)NCc1nnc2n1CCOCC2 1614994826 QDGXLOUOEMDWHJ-UHFFFAOYSA-N 330.388 1.108 0 40 EDAB O=C(NCc1ccnc(NC2CC2)c1)[C@@H]1COCCN1C1CCCC1 1615001415 SEZSDBBMWABKRO-KRWDZBQOSA-N 344.459 1.916 0 40 EDAB Cn1cc(-c2cccc(CNC(=O)N3CCn4nncc4C3)c2)cn1 1615054555 DBINIOMWOYYGBV-UHFFFAOYSA-N 337.387 1.404 0 40 EDAB CN(Cc1ccnc(N(C)C)n1)Cc1cnnn1Cc1ccccc1 1615557240 RAWMGSOZNNGHTA-UHFFFAOYSA-N 337.431 1.814 0 40 EDAB CCc1cccc(S(=O)(=O)N2CCN(Cc3ccno3)CC2)c1 1615585798 LPVYDFDLKIBYKM-UHFFFAOYSA-N 335.429 1.744 0 40 EDAB CC1(S(=O)(=O)N[C@@](C)(Cn2cnc3ccccc32)C(=O)O)CC1 1616034642 KTQQZJQWCHAHJJ-HNNXBMFYSA-N 337.401 1.352 0 40 EDAB O=C(NC[C@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1)c1ccno1 575403609 JDEYQNIGZNWVGL-GFCCVEGCSA-N 333.388 1.212 0 40 EDAB O=C(c1ccno1)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147167 RYBSROBHCRBIML-VIFPVBQESA-N 339.149 1.521 0 40 EDAB Cc1cc(C)cc(C(=O)N2C[C@H]3ON=C(C(=O)NC4CC4)[C@H]3C2)c1 585108908 CPMSXFZBMSBKRA-LSDHHAIUSA-N 327.384 1.409 0 40 EDAB CCOCC(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@H]1C 585096841 BORDKXLZRMGLKB-GFCCVEGCSA-N 334.420 1.034 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)ccc1F 69352159 IJCURIQULKMDOR-OAHLLOKOSA-N 336.388 1.509 0 40 EDAB CCN(CC(=O)NC[C@H]1CCCO1)Cc1cccc2c1OCCO2 69563798 RPHFNFHBJNKEOH-OAHLLOKOSA-N 334.416 1.575 0 40 EDAB NC(=O)c1ccc([C@H]2CN(CCOc3ccccc3)CCO2)nc1 72388118 XYWDORUECGPXJJ-QGZVFWFLSA-N 327.384 1.633 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2cccs2)C1=O 57761006 VYYAYDJVUKBGPG-SNVBAGLBSA-N 337.401 1.516 0 40 EDAB Cc1cc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)ccc1Br 92006145 MQHGDGQGASPOMR-MFKMUULPSA-N 327.222 1.832 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)c2c(F)cccc2F)n1 76020878 ULBVHYCGIKFAFT-UHFFFAOYSA-N 329.328 1.458 0 40 EDAB CCC(=O)N1CC[C@H](N[C@@H]2CCCN(c3cnn(C)c3)C2=O)[C@H](C)C1 76056279 NPRCUALKYXEVNT-VNQPRFMTSA-N 347.463 1.152 0 40 EDAB O=C(c1ccc(=O)n(-c2ccc(F)cc2)c1)N1CCc2[nH]ncc2C1 95409205 TUFAGHZCYWBXLG-UHFFFAOYSA-N 338.342 1.898 0 40 EDAB CC(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)cc1 78398346 IUANRHXYQJQLRC-GXTWGEPZSA-N 326.418 1.125 0 40 EDAB C[C@@H](NC(=O)Nc1cccn(C)c1=O)c1ccc(-n2ccnn2)cc1 95975255 JRUUAWYWQZAYQR-GFCCVEGCSA-N 338.371 1.849 0 40 EDAB Cn1nnc2c(N3CC(C(=O)NC4CCCCCC4)C3)ncnc21 96096744 FLEQIWCNELVNFW-UHFFFAOYSA-N 329.408 1.034 0 40 EDAB Cc1noc(C)c1CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 96420529 SPXPGYCWHZJMEG-SFHVURJKSA-N 343.427 1.851 0 40 EDAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(-n2ccnn2)ccc1F 585114364 QHLGOLINSULNAL-YPMHNXCESA-N 334.351 1.929 0 40 EDAB O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1NC1Cc2ccccc2C1 1549162831 WQLGYDPHUJJKJC-IPMKNSEASA-N 340.427 1.041 0 40 EDAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCO)cc1 5916660 BLFXGIBWMBBTGS-LGMDPLHJSA-N 340.379 1.575 0 40 EDAB COC(=O)[C@@H]1C=CCN1C(=O)[C@H]1ON=C(c2ccc(F)cc2)[C@@H]1C 12206057 UWDZNMXAMYVMPA-XEGUGMAKSA-N 332.331 1.505 0 40 EDAB O=C1[C@H]2CCCN2S(=O)(=O)c2ccccc2N1Cc1ccccn1 13267363 UMDPNFOTDONADC-OAHLLOKOSA-N 343.408 1.782 0 40 EDAB CCCCCNC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1OC 13581056 QLWBZODBDUMYBZ-UHFFFAOYSA-N 346.424 1.761 0 40 EDAB CC(=O)NCC(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19021393 SLBOHAWLNIPTSR-SCTDSRPQSA-N 347.434 1.788 0 40 EDAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)C(=O)NC1CCCC1 9708552 MATCGYOHYTUHNW-UHFFFAOYSA-N 327.384 1.519 0 40 EDAB CCOC(=O)CCC(=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575611951 HFERSENVRJNKCK-NSHDSACASA-N 327.768 1.453 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 6728826 HWJZGBIKSBYOIB-UHFFFAOYSA-N 338.408 1.677 0 40 EDAB Cc1nc2c(c(N3CCN(c4nccc(N(C)C)n4)CC3)n1)CCC2 1889084229 NQBSAJQFYKLJSW-UHFFFAOYSA-N 339.447 1.456 0 40 EDAB COc1cnc(C(=O)N2CCC3(CC2)C[C@@H](N(C)C)CCO3)nc1 1565554045 QBFBSKVSPQDVTO-ZDUSSCGKSA-N 334.420 1.201 0 40 EDAB 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CCc1noc([C@H](C)N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1 83830460 ANNRLFJMHUXLJJ-OFQRWUPVSA-N 349.479 1.568 0 40 EDAB O=C1[C@H](N2CCN(c3ccncc3)CC2)CCN1CC(F)(F)F 95415793 JEXFLXQPKRPCHT-CYBMUJFWSA-N 328.338 1.367 0 40 EDAB Cn1c(=O)/c(=C/c2ccccc2F)s/c1=C\C(=O)c1ccco1 96996683 NEVBYYVEXJTFGT-VULZFCBJSA-N 329.352 1.671 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(C(=O)O)CC1 84177533 VBBGMMRMUDZGQP-UHFFFAOYSA-N 325.386 1.335 0 40 EDAB CCc1ccc(CC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 95401278 FOYXMWAZSXLSEI-INIZCTEOSA-N 338.473 1.579 0 40 EDAB CC(C)[C@H](C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1)N(C)C 97079860 KGOYEHKGXBVHAH-JQHSSLGASA-N 331.460 1.908 0 40 EDAB C[C@@H]1C[C@H](NC(=O)N2CCC(CC(=O)N(C)C)CC2)CN1C1CC1 97080569 BMPARGMRSNCYGB-HIFRSBDPSA-N 336.480 1.512 0 40 EDAB CNC(=O)c1cncc(/C=C/C(=O)NCCCN2CCC[C@@H](C)C2)c1 72277423 JZQVDHIZFLDCRF-LQYUOIDQSA-N 344.459 1.693 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C(N)=O)c1ccc(F)cc1 72268558 FWTDWFSYJJEGPO-ZACQAIPSSA-N 333.407 1.827 0 40 EDAB Cc1nc2n(n1)C[C@H](N[C@H](C)C(=O)NCCC1=CCCCC1)CC2 72268036 TZENWYCHYAQQRD-CZUORRHYSA-N 331.464 1.886 0 40 EDAB Cc1nc2n(n1)C[C@H](NC(=O)NC[C@H](C)c1ncc(C)s1)CC2 97110559 IWRANHMDPFTQTH-JOYOIKCWSA-N 334.449 1.769 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCc1nccn1C 97142901 GRTBKZVKYCWXET-WBVHZDCISA-N 341.459 1.782 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCCO)cc1 98075176 KBSBQYGDKGYMHS-OAHLLOKOSA-N 342.461 1.187 0 40 EDAB CC(C)(C)NC(=O)CN1CCN(Cc2nnsc2Cl)CC1 95939070 DOKSYQQWORPDHZ-UHFFFAOYSA-N 331.873 1.224 0 40 EDAB C[C@H](NCC1(N(C)C)CCOCC1)c1ccc(S(C)(=O)=O)cc1 95968025 OLZMTMCVVXIXEB-AWEZNQCLSA-N 340.489 1.852 0 40 EDAB Cc1nc(C)c(CNC(=O)N2CCC[C@@H]2CN2CCOCC2)s1 74664015 GKMXMNSEHFDFBQ-CQSZACIVSA-N 338.477 1.766 0 40 EDAB Cc1cc(C)c(CNC(=O)NCCCNc2ccccn2)c(=O)[nH]1 75117885 OPMAEKYYBULUDJ-UHFFFAOYSA-N 329.404 1.688 0 40 EDAB COc1cc(OC)c(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1OC 75145613 WCMZVCJBNYZFCO-CQSZACIVSA-N 349.305 1.852 0 40 EDAB N/C(=C\C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1 21945195 ICXCWDDAYZWBIC-SDXDJHTJSA-N 337.423 1.547 0 40 EDAB COc1cc2nc(NN)n(Cc3ccccc3)c(=O)c2cc1OC 408712715 KNJWDQXUCWBZCQ-UHFFFAOYSA-N 326.356 1.748 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC(C)C)cc1C 408555545 XNYQOVXQNDCWDW-ZDUSSCGKSA-N 342.461 1.833 0 40 EDAB CN(C)CSC(=S)NCCNC(=S)SCN(C)C 33898843 HNLLAJYRLSWGPA-UHFFFAOYSA-N 326.582 1.240 0 40 EDAB CN1C(=O)CO[C@H](c2ccc(NC(=O)c3ccccc3)cc2)[C@H]1CO 72321437 LHYZKAJAJMSSFN-SJLPKXTDSA-N 340.379 1.830 0 40 EDAB biogenic,in-vitro CC(C)CNS(=O)(=O)c1ccc(N2CCCC2)c(C(=O)O)c1 217555148 XYKJYRIHRHGCDU-UHFFFAOYSA-N 326.418 1.919 0 40 EDAB CSc1ncccc1C(=O)NC[C@]1(OCCO)CCSC1 1565519984 AUPWQYHMHRJTKN-CQSZACIVSA-N 328.459 1.418 0 40 EDAB O=C([C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)N1CCOCC1 79001336 MUDYBZRKZPQGMN-BRWVUGGUSA-N 346.402 1.779 0 40 EDAB CC[C@](C)(NS(=O)(=O)c1cnn(CC(=O)O)c1)c1nccs1 521619588 CPDMBWRAFFUYEN-LBPRGKRZSA-N 344.418 1.028 0 40 EDAB Cc1nccn1CCCNC(=O)C(=O)c1cnn(-c2ccccc2)c1 71119839 QLZMGYJQPIQMQH-UHFFFAOYSA-N 337.383 1.766 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](C(C)=O)C(=O)N1Cc1ccc(OC)cc1OC 218272711 KBTAFYOUYBIMNY-CABCVRRESA-N 335.356 1.183 0 40 EDAB CCOCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 72241748 UBEGWSCWENJQBS-HOTGVXAUSA-N 338.379 1.267 0 40 EDAB O=C(NCCc1cnc[nH]1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 79501775 ULLADHMOWSFPPA-LLVKDONJSA-N 334.811 1.428 0 40 EDAB COc1ccc2cc(C)c3nn(CC(=O)NC4CC4)c(=O)n3c2c1 72346981 KIMQFUNWZOPNKH-UHFFFAOYSA-N 326.356 1.245 0 40 EDAB CCOCCCNC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225974377 NDFYDFMDZMBTBX-UHFFFAOYSA-N 348.852 1.892 0 40 EDAB CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(Br)c[nH]2)N(C)C1 565378382 PADZJFYOCRJROC-QWRGUYRKSA-N 330.226 1.568 0 40 EDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1C(C)=CCC[C@@H]1C 195575742 UISCNGPLOSXQIM-ARFHVFGLSA-N 342.505 1.604 0 40 EDAB COC(=O)Cc1ccc(-c2nn3c(CC(=O)OC)nnc3s2)cc1 41126942 TZIBIUBEMMKWFP-UHFFFAOYSA-N 346.368 1.284 0 40 EDAB O=C(c1cc(-c2ccncc2)on1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 571544074 JRZQCKXQZSPJKY-FVQBIDKESA-N 343.383 1.739 0 40 EDAB COC(=O)[C@H](NCC(=O)N1CCc2[nH]c3ccccc3c2C1)C(C)C 195572112 BDKVUGCLLCAZQJ-GOSISDBHSA-N 343.427 1.840 0 40 EDAB NC(=O)c1cccc(NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)c1 573868716 YMCVOSVFYQJNSW-LJQANCHMSA-N 337.379 1.572 0 40 EDAB O=C(c1cnccn1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225486130 PNCVJNBGQBZUPA-ZDUSSCGKSA-N 342.330 1.987 0 40 EDAB biogenic,in-vitro Cn1cnc2cc(C(=O)N[C@H]3CCN(C4CCCCC4)C3=O)cnc21 195555737 CWVCBMWVDSSRPX-AWEZNQCLSA-N 341.415 1.632 0 40 EDAB C[C@@H](CN1CCOCC1)OC(=O)c1ccn(-c2ccc(F)cc2)n1 96502353 YQAANADHPHQANE-ZDUSSCGKSA-N 333.363 1.889 0 40 EDAB Cc1ccoc1C(=O)NCCCNC(=O)NCc1scnc1C 96415455 HEORLYFWCUFGJN-UHFFFAOYSA-N 336.417 1.972 0 40 EDAB CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)C[C@H]1c1nccn1C 330333860 QEBFCTWOAWQNFL-BBRMVZONSA-N 342.399 1.075 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)C/C=C/c2ccccc2F)C1 96455591 DJQJRUQLOKODRL-GBXSZLQWSA-N 340.420 1.769 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 583616265 ARAIVNVKJSFVPZ-MGPQQGTHSA-N 343.449 1.015 0 40 EDAB C[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)[C@H]1CCCCN1 583651094 FKQQJWQVRDGWRU-CRAIPNDOSA-N 331.460 1.779 0 40 EDAB COc1ccnc(N2CCN([C@@H](C)c3cc(C)c(C(=O)O)o3)CC2)n1 582365286 PLEPPEHTXRFRQL-LBPRGKRZSA-N 346.387 1.968 0 40 EDAB COCC(=O)N1CCC2(CC1)C[C@@H](Nc1cccc(OC)c1)CO2 96221533 FSHOASSWILEBHK-OAHLLOKOSA-N 334.416 1.904 0 40 EDAB C[C@@H]1CN(CCc2ccccc2)C[C@]12CCN(CC(=O)N(C)C)C2=O 96201708 RGYGPTWMHWYPKX-OXQOHEQNSA-N 343.471 1.488 0 40 EDAB Cc1nncn1CCNC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 96445366 KOHQTNHUQWMJNU-SECBINFHSA-N 326.759 1.963 0 40 EDAB O=C1CCC2(CCN(S(=O)(=O)C3CC3)CC2)N1Cc1cccnc1 96228166 RPLFPMYAQULFIQ-UHFFFAOYSA-N 349.456 1.531 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccco2)C1 96057741 HLNRYLYGLJLOOL-JGGQBBKZSA-N 341.367 1.933 0 40 EDAB CN(C)C(=O)COC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1ccsc1 96055399 ODVCYKDOEOAVCE-HRCADAONSA-N 338.473 1.832 0 40 EDAB CN(C)C(=O)N1CCC2(CC1)CO[C@@H](COCC1CCOCC1)C2 96106076 JNIJGBQDBUUCRV-MRXNPFEDSA-N 340.464 1.982 0 40 EDAB COc1cccc(CC(=O)N2C[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)c1 96208858 NJGVYTSFCFXCAD-PKOBYXMFSA-N 344.455 1.807 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)N[C@H]2CCc3ccc(F)cc32)cn1 96421545 RXQMSDUFMWURGM-RDJZCZTQSA-N 332.379 1.753 0 40 EDAB CCC(=O)NCC(=O)N1CCc2c(ncn2CCc2ccccc2)C1 96493001 AUCNLXNCPLJTCU-UHFFFAOYSA-N 340.427 1.537 0 40 EDAB CS[C@H](C)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1 95395510 ZBXDAUXVNWVTEZ-GFCCVEGCSA-N 348.472 1.830 0 40 EDAB Cc1cccc(C(=O)N2CCc3ncnc([C@@H]4CCOC4)c3CC2)n1 96058673 OUNZLZAEECEOGP-CQSZACIVSA-N 338.411 1.925 0 40 EDAB O=C(c1cccnc1)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048379 ZKQKCNVZWFAJIM-CRAIPNDOSA-N 339.399 1.747 0 40 EDAB O=C(c1cccnc1)N1C[C@@H]2CCN(CCN3CCCC3)C[C@@H]2C1 96081477 WHECLFOUUUWZBC-ZWKOTPCHSA-N 328.460 1.571 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1 247885165 WSWCGGVJWHJHCX-ZDUSSCGKSA-N 344.371 1.555 0 40 EDAB COc1ccc(CCNC(=O)C(=O)NCc2cccc(C)c2)cc1 243939189 RVXWIEFPGPRXNE-UHFFFAOYSA-N 326.396 1.979 0 40 EDAB COc1ccc(OCC(=O)N2CCC[C@@H]2c2ccnc(O)n2)cc1 257271977 NANXQZKJLRXRMJ-OAHLLOKOSA-N 329.356 1.933 0 40 EDAB CC(C)c1cc(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)on1 257206944 BFOXDCWTMWBNMH-QGZVFWFLSA-N 345.403 1.349 0 40 EDAB CCN(CC)CCNC(=O)[C@H](C)n1cc(COc2ccccc2)nn1 257173477 ONYRMYURXFIGIO-HNNXBMFYSA-N 345.447 1.876 0 40 EDAB CC(=O)N1CCN(Cc2cc3ccccc3s2)C[C@H](C(N)=O)C1 257269267 MPGRARNGQDGPPE-AWEZNQCLSA-N 331.441 1.667 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257303197 SGEGUTNQKYTAOA-CQSZACIVSA-N 345.374 1.582 0 40 EDAB Cc1ncncc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 257287412 PPWKHLAFEPXIGZ-WMZOPIPTSA-N 327.384 1.830 0 40 EDAB C[C@H](CC(=O)N1CCO[C@@H](Cn2ccnn2)C1)Cc1cccc(F)c1 585128348 YZKRPOAHINCOKK-WMLDXEAASA-N 346.406 1.914 0 40 EDAB CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)[C@H](C)CSC)C1 585130746 AZPGMENXPVQXOG-GHMZBOCLSA-N 325.434 1.901 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(=O)n(C)cn1 585121943 GWHIPXXNBYTUCF-HNNXBMFYSA-N 340.427 1.517 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCN2C)cc1 257318863 VPSFZVKYXRRCQO-KRWDZBQOSA-N 341.411 1.523 0 40 EDAB CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)nc1 257275261 NOPBAHJMYDLFNC-OAHLLOKOSA-N 327.388 1.204 0 40 EDAB Cc1cc(-c2cc(C3CCN(S(C)(=O)=O)CC3)nc(C)n2)[nH]n1 257299838 RRUKQYWUIRBHGE-UHFFFAOYSA-N 335.433 1.623 0 40 EDAB O=C(CN1C[C@H]2C[C@H](Oc3ccccc3)C[C@H]2C1)N1CCOCC1 257291728 QIJJQDPDXOYXMT-VQFNDLOPSA-N 330.428 1.635 0 40 EDAB O=C(CN1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]2C1)N1CCOCC1 257256066 KJYMTMQGTIDPKQ-BWTSREIZSA-N 344.455 1.772 0 40 EDAB COc1cc(N2CC3(C[C@@H](Oc4cncc(C)n4)CCO3)C2)ncn1 253600974 FPTJGOKUJHRVED-ZDUSSCGKSA-N 343.387 1.400 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1c1ccnc(C)n1 257265597 LZIXZEMRIAKPFJ-HNNXBMFYSA-N 326.404 1.861 0 40 EDAB COc1nc(C)ccc1C(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1 263102657 UEHNQJWGIOTHMD-ZDUSSCGKSA-N 332.278 1.878 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2c1ncc(C(=O)O)cn1 1603391656 AOKFCLWTGFSQCE-NEPJUHHUSA-N 334.376 1.763 0 40 EDAB CNc1cc(N2CCC[C@@H]2CNc2cc(C(=O)OC)ccn2)ncn1 603294138 XXTCTSLTZANLPC-CYBMUJFWSA-N 342.403 1.781 0 40 EDAB CNC(=O)Nc1ccc(C(=O)N2C[C@H]3C[C@@H](NCCO)C[C@H]2C3)cc1 1095065923 RQVDPHSEWSHYPP-APHBMKBZSA-N 346.431 1.013 0 40 EDAB CCOc1cc(C(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)on1 1615572138 RPKOZFVQTWUVJX-NSHDSACASA-N 329.356 1.781 0 40 EDAB CCOCC(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1 575404896 PLYBNSWKZHZVGO-KRWDZBQOSA-N 329.400 1.847 0 40 EDAB Cn1ccc(C(=O)N2CCO[C@](CO)(Cc3ccccc3F)C2)n1 585275288 BZTASECGKCRQHK-QGZVFWFLSA-N 333.363 1.005 0 40 EDAB CO[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)[C@H]1CCC(N)=O 585277590 IYPLZZZXNXKVJR-STQMWFEESA-N 334.372 1.300 0 40 EDAB COCCN1CCN(C(=O)c2cc(C(C)=O)[nH]n2)Cc2cccnc21 585113285 SWAGTAIJUXSRTH-UHFFFAOYSA-N 343.387 1.116 0 40 EDAB COC(=O)Cn1ncc2c(NCCc3cccc(C)c3)ncnc21 71909838 QUZLAJBUITZFMH-UHFFFAOYSA-N 325.372 1.962 0 40 EDAB Cc1nn(C)c2sc(C(=O)NCc3cnc(N(C)C)n3C)cc12 72284834 RHYJJXNMXPMIEA-UHFFFAOYSA-N 332.433 1.673 0 40 EDAB CC(C)NC(=O)[C@H](c1ccccc1)N1CCC(N2CCNC2=O)CC1 53285604 KCAFQRKOCCQYHK-KRWDZBQOSA-N 344.459 1.742 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)Cn1nc2ccccn2c1=O 89340299 WWAAFFPOEZBQMB-CYBMUJFWSA-N 326.356 1.225 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccnc2ccnn12 76640435 DWECTTOLPBKZGG-UHFFFAOYSA-N 334.339 1.468 0 40 EDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 97166234 MYYVESMYFZFWNL-NVBFEUDRSA-N 346.399 1.640 0 40 EDAB CCCC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)NC(C)=O 5201898 GCTQAGGEBYNJJG-PMPSAXMXSA-N 345.392 1.108 0 40 EDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1 5717377 HIQXQJGCBWKRFC-RYUDHWBXSA-N 340.376 1.318 0 40 EDAB CCc1cc2cc3c(cc2n2c(=O)n(CC(=O)N(C)C)nc12)OCO3 12181239 HIJJVYRNYZZUDY-UHFFFAOYSA-N 342.355 1.029 0 40 EDAB CC[C@H](CN1CCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 12362721 DODKBERVVRFSQB-CYBMUJFWSA-N 328.416 1.456 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1C(=O)O 13026680 LFTVCBIJZQIUFM-UHFFFAOYSA-N 329.374 1.617 0 40 EDAB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1nc(N)nc(N(C)C)n1 14135077 RYAIGOLQPRAZMC-UHFFFAOYSA-N 349.826 1.244 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 17122143 JRFYYOFYEIAQSN-ZDUSSCGKSA-N 328.821 1.772 0 40 EDAB CCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930040 ZOLRMLDCSZHKNO-UHFFFAOYSA-N 346.836 1.638 0 40 EDAB C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(Cl)cc1F 150941249 ZDYFTBUVIUJCFI-ONGXEEELSA-N 337.800 1.951 0 40 EDAB CC1(C)[C@H]2CN(C(=O)NCCNC(=O)Cc3cccc(F)c3)C[C@@H]21 101386666 YORWRDXBOXUVSQ-GJZGRUSLSA-N 333.407 1.782 0 40 EDAB O=C(COc1cccc(F)c1)N1CCOC[C@H](Cc2cnccn2)C1 607853723 YXJABCMQLUIQOO-CQSZACIVSA-N 345.374 1.712 0 40 EDAB O=C([C@@H]1CN(c2nc(C3CC3)ns2)CCO1)N1CCSCC1 1888834665 AKNCYLNNOMGBER-NSHDSACASA-N 340.474 1.196 0 40 EDAB O=C([C@@H]1CN(c2ncnc3ccsc23)CCO1)N1CCCCC1 1888842968 VPZVTMDBYDETOW-ZDUSSCGKSA-N 332.429 1.909 0 40 EDAB CCOc1cccc2sc(N3CC[C@@]4(C3)NC(=O)NC4=O)nc12 1888864317 OIUSVCCECUDRRR-HNNXBMFYSA-N 332.385 1.483 0 40 EDAB CCCNCc1cc(Br)c(OCC(N)=O)c(OC)c1 7262299 CPCIHCUJWFXKHO-UHFFFAOYSA-N 331.210 1.821 0 40 EDAB Cc1noc([C@@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2c2ccccc2)n1 238863534 LFTSWJJHMFMVSN-UONOGXRCSA-N 338.371 1.530 0 40 EDAB O=C(NC1CCCCC1)N1Cc2cnc(N3CCOCC3)nc2C1 238847897 ITLRINLECGUTAZ-UHFFFAOYSA-N 331.420 1.671 0 40 EDAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)C(=O)Nc1ccon1 238959480 YHRHMJLIKLQFBW-OAHLLOKOSA-N 347.352 1.320 0 40 EDAB Cn1cccc(C(=O)NC[C@](O)(c2ccoc2)c2cccs2)c1=O 238911108 SEYDBAJJFKUOOY-KRWDZBQOSA-N 344.392 1.706 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@H](n3nccn3)C2)cc1C 253473409 UUDARAHVTNPCEL-ZDUSSCGKSA-N 336.417 1.621 0 40 EDAB COc1cnc(O[C@H]2CCN(c3cc(C)nc4ccnn34)C2)nc1 2087026205 DTIWNSZMNAUIJC-LBPRGKRZSA-N 326.360 1.494 0 40 EDAB Cc1nnc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)s1 2087097109 OFFVBRDDRKSWJU-UHFFFAOYSA-N 326.359 1.092 0 40 EDAB O=C([C@@H]1CCOC1)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@@H]2C1 1565552961 FFZMOZPFGGFOEY-BPLDGKMQSA-N 328.416 1.211 0 40 EDAB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 4505287 MJXLXXTTWUGVBJ-CYBMUJFWSA-N 331.459 1.520 0 40 EDAB C[C@H]1CN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)C[C@@H](C)O1 12418049 PNFGTQKWBFGTMM-OQMKEHIESA-N 329.462 1.821 0 40 EDAB O=C(CSc1nnc(N2CCNCC2)s1)Nc1ccccc1 26421900 FTZGKXRDBSABSV-UHFFFAOYSA-N 335.458 1.679 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC(n2ccnn2)CC1 206940836 QYXCIEPWSJNMHY-UHFFFAOYSA-N 328.344 1.582 0 40 EDAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1-c1ccccc1 575616689 XOZTYPCXFQKVJS-UHFFFAOYSA-N 337.339 1.508 0 40 EDAB COc1ccc2o/c(=N\c3cccc(C(N)=O)c3)c(C(N)=O)cc2c1 4177702 MTJZTPYHVOIUCA-UZYVYHOESA-N 337.335 1.872 0 40 EDAB Cc1cc(C)n(-c2ccc(S[C@H](C)C(=O)N3CCNC3=O)nn2)n1 22284255 ZSWNBOBIHVHKHQ-LLVKDONJSA-N 346.416 1.312 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100291388 BYTMZVVIAPQSOD-GREKMHCPSA-N 326.352 1.441 0 40 EDAB COc1ccccc1[C@@H](O)CNC(=O)NCc1ccc2c(c1)OCO2 31098141 YCOJXEUXGGOEDI-AWEZNQCLSA-N 344.367 1.957 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)Cn2c(C)cc(=O)n3ncnc23)c1C 40538562 XKGYFDWJFITMFD-OAHLLOKOSA-N 342.399 1.565 0 40 EDAB Cc1ccc(-c2nc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)cs2)o1 40516214 CRUUPBKSDKHHFQ-JTQLQIEISA-N 340.426 1.876 0 40 EDAB COCCOc1ccc(CNC(=O)[C@H]2COc3ccccc3O2)cn1 40541136 SJEYEDRDIVJDIQ-MRXNPFEDSA-N 344.367 1.563 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCN(CC(F)(F)F)CC1 32865571 PWDLBIQNYVAWRM-UHFFFAOYSA-N 326.315 1.694 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 32907746 GARZXPOAEVTFTK-VHSXEESVSA-N 347.337 1.542 0 40 EDAB NC(=O)C1(CNC(=O)Cc2coc(-c3ccccc3)n2)CCOCC1 52743652 QECFJTZFMHXZAL-UHFFFAOYSA-N 343.383 1.282 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1cnc2ccccc2c1 102741024 JEBANTWCELVJON-LUVWLHFXSA-N 347.374 1.980 0 40 EDAB COc1ncnc2c1CN([C@H](C)C(=O)N1CCc3ccccc31)CC2 97202422 NPMNILFABYVDKY-CYBMUJFWSA-N 338.411 1.821 0 40 EDAB Cc1cccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)c1 308610 UMPZMUVSCAEIIV-UHFFFAOYSA-N 333.413 1.472 0 40 EDAB CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H]2c2cccn2C)CC1=O 76092734 XEUNNKKSKASYJU-GOEBONIOSA-N 332.448 1.099 0 40 EDAB Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C)n1C 76017195 FNEZTUJJFHGCNU-KRWDZBQOSA-N 338.415 1.729 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)C[C@H]1N(C)C 78894472 XZUYGCKENFPDCZ-GXTWGEPZSA-N 333.457 1.534 0 40 EDAB CS[C@@H]1CC[C@@H](N(C)C(=O)CN2CCN(c3ccccn3)CC2)C1 78966657 CRSSXCLDFGJUDY-HZPDHXFCSA-N 348.516 1.946 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1c(C)noc1C 22531387 WQDZOVXLVDHYOL-AWEZNQCLSA-N 349.412 1.153 0 40 EDAB COc1ccccc1OCCN(C)[C@@H](C)c1nc(N)nc(N(C)C)n1 53709453 CXGUAKILTHMJEF-LBPRGKRZSA-N 346.435 1.600 0 40 EDAB O=C1C[C@@H](c2ccc(S(=O)(=O)NCCc3ccco3)cc2)CN1 4751714 YWYZRMVSJILJSC-CYBMUJFWSA-N 334.397 1.404 0 40 EDAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2nnc(C)s2)c1 6680331 RGKHPYFTABUTLM-UHFFFAOYSA-N 346.459 1.801 0 40 EDAB O=C(CCCn1nnc2ccccc2c1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101632469 FNIRVJRBTJRFFY-KKUMJFAQSA-N 338.411 1.900 0 40 EDAB OCCN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 23076297 IBISKJHBKACGEQ-UHFFFAOYSA-N 335.411 1.806 0 40 EDAB CN(CCOc1ccc(Cl)cc1)Cc1nc2c(cnn2C)c(=O)[nH]1 54417729 DMPWRSQGMWCBEC-UHFFFAOYSA-N 347.806 1.821 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2 24074410 LMNYJCHIGVQQCN-UHFFFAOYSA-N 336.388 1.989 0 40 EDAB O=C(CNc1ccc(-c2nnnn2C2CC2)cc1)NCC(F)(F)F 12538414 PKZWLZPPXRYPKE-UHFFFAOYSA-N 340.309 1.765 0 40 EDAB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3cccs3)s2)cc1 102971209 KWXJYPYQSRIMQL-VULZFCBJSA-N 343.429 1.999 0 40 EDAB Cc1c([C@@H](C)NC(=O)Cn2c(C)nc3ccccc3c2=O)cnn1C 25005442 LEVUZCFCFRAPIE-LLVKDONJSA-N 339.399 1.624 0 40 EDAB C[C@@H]1CN([C@@H](C(N)=O)c2ccc(F)cc2)CCN1Cc1nccn1C 106660231 LELLYVMTTGVUBD-CXAGYDPISA-N 345.422 1.292 0 40 EDAB CN1CCCN(C[C@H](CC(=O)NCc2ccccc2)C(=O)O)CC1 106712172 XOSPWGHFALUTKX-INIZCTEOSA-N 333.432 1.031 0 40 EDAB COc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)cn1 62001695 QVMWNBXSCJAJNJ-CYBMUJFWSA-N 340.339 1.170 0 40 EDAB biogenic NC(=O)[C@H]1CCN(C(=O)NCc2cccc(OC[C@H]3CCCO3)c2)C1 56422394 UZGBOVCKLJZWJV-GOEBONIOSA-N 347.415 1.261 0 40 EDAB Cc1ncccc1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 108256074 QXYKKNVVXRHYIV-UHFFFAOYSA-N 337.387 1.029 0 40 EDAB C[C@H]1Oc2ccccc2N(CC(=O)N(C[C@H]2CCOC2)C2CC2)C1=O 44940939 VDQRPXWNCNNASG-ZIAGYGMSSA-N 344.411 1.828 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)N2CCc3ccccc32)C1=O 3383593 OUQZHPYCBIAGDR-UHFFFAOYSA-N 329.356 1.167 0 40 EDAB O=C(CCNC(=O)c1ccc(O)c(Cl)c1)NCc1cccnc1 58392517 HWLIWYFIGKLIHE-UHFFFAOYSA-N 333.775 1.877 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)C1 27970257 GDCLBHDJNJCEDF-CQSZACIVSA-N 338.477 1.748 0 40 EDAB Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)o2)cc1 22423606 IYWXEARUBUJEBO-UHFFFAOYSA-N 348.428 1.941 0 40 EDAB CCc1ccccc1N1C[C@@H](C(=O)NCCC(=O)NC(C)C)CC1=O 45924158 JYJYXPOLJWOWRQ-HNNXBMFYSA-N 345.443 1.633 0 40 EDAB c1cnc(NC[C@@H]2CN(CC3CCOCC3)Cc3ccnn3C2)nc1 306136744 QBTWCWPWPHEZBG-MRXNPFEDSA-N 342.447 1.644 0 40 EDAB COC[C@H](C)NC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 29602871 MLPQFHHCKHFDFD-BPNCWPANSA-N 340.420 1.120 0 40 EDAB COCCN(CC(=O)N(C)C)C(=O)Cc1cccc2cccnc12 48968476 SSASDVLOQLTTTC-UHFFFAOYSA-N 329.400 1.341 0 40 EDAB C[C@H](C(=O)N1CCCCC1)N1CCN(Cc2ccc(CO)o2)CC1 93087176 VEFNXYXRWGQYPI-OAHLLOKOSA-N 335.448 1.291 0 40 EDAB NC(=O)[C@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1 49625065 BOVHLVYCBUZKDB-OAHLLOKOSA-N 339.399 1.036 0 40 EDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 13986336 OXIDYXLGSMDYIN-QGZVFWFLSA-N 348.410 1.667 0 40 EDAB O=C(CN1C(=O)C(=O)c2ccccc21)OCn1nnc2ccccc21 13942896 KONOSXPCTDGXRQ-UHFFFAOYSA-N 336.307 1.162 0 40 EDAB Cc1cnc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)cn1 5259420 YNONDEHFGRBQKY-UHFFFAOYSA-N 337.343 1.653 0 40 EDAB CN1CCN(C[C@@H](NC(=O)c2cccnc2O)c2ccccc2)CC1 65493527 HVZPYPXGDTVSDM-QGZVFWFLSA-N 340.427 1.506 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)NCCCOC[C@@H]3CCCO3)cc12 65401523 IRTCNIYIPFTKDR-AWEZNQCLSA-N 347.419 1.984 0 40 EDAB COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1cnn(CC(N)=O)c1 65443094 GCUUMKAVNAVJML-SECBINFHSA-N 335.339 1.399 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCCC(=O)NCc1ccccc1 65478825 GMBVUYDGKGICTO-UHFFFAOYSA-N 329.448 1.591 0 40 EDAB O=C(NCc1n[nH]cc1Br)c1cc(=O)[nH]c2ccccc12 65519340 QEGYBPINQORSRY-UHFFFAOYSA-N 347.172 1.944 0 40 EDAB Cc1ccc([C@@H](O)CNCc2c(C)nn(C)c2N2CCOCC2)cc1 65531060 IHGDTJDWGXVLFV-SFHVURJKSA-N 344.459 1.697 0 40 EDAB c1ccc(O[C@@H]2CCOC3(C2)CN(c2ccc4nncn4n2)C3)nc1 306136514 PVSNTJHXQCPUHO-CYBMUJFWSA-N 338.371 1.336 0 40 EDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NCc1ccco1 14122947 DPHSBFAYVVYKOF-CQSZACIVSA-N 327.340 1.059 0 40 EDAB Cc1ccccc1NC(=O)C(=O)NCCC(=O)NCc1ccncc1 65613683 PNSCZMICBXMVRR-UHFFFAOYSA-N 340.383 1.151 0 40 EDAB CC(C)CNC(=O)CNC(=O)N[C@H](C)COc1ccccc1F 65620879 INTGIKDKJIXZLM-GFCCVEGCSA-N 325.384 1.664 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)n1 65608578 ZYIREGIUTIAVKM-UHFFFAOYSA-N 344.419 1.468 0 40 EDAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(CO)O1 409055873 JWNVGKAMARRPQR-IATRGZMQSA-N 335.743 1.154 0 40 EDAB COC[C@]1(C)NC(=O)N(Cc2csc(-c3cnn(C)c3)n2)C1=O 66082820 TUAPKGPSRCVPOP-AWEZNQCLSA-N 335.389 1.001 0 40 EDAB c1ccc(CCCN2CCCN(c3ccc4nnnn4n3)CC2)cc1 96402765 TYOCJEQVBOHABM-UHFFFAOYSA-N 337.431 1.664 0 40 EDAB O=C(CNC(=O)c1ccco1)OCC(=O)N1CCc2ccccc2C1 6650172 OQYHSDXZPDENGQ-UHFFFAOYSA-N 342.351 1.138 0 40 EDAB COCc1nnc2sc(CCN3C(=O)c4ccccc4C3=O)nn12 6757444 FBHXHYSTWQZCMT-UHFFFAOYSA-N 343.368 1.171 0 40 EDAB COC[C@H](C)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 5702076 FHKGOBSDZMFBCG-NSHDSACASA-N 334.397 1.500 0 40 EDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 24686428 VQFSHTGCHCLTSL-INIZCTEOSA-N 336.457 1.855 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)[C@@H]2C(C)C)cc1 4985956 FMNXEUICOYVENJ-HNNXBMFYSA-N 339.461 1.965 0 40 EDAB CC(=O)N1CCN(C(=O)CN2C[C@@H](c3ccccc3)OC[C@H]2C)CC1 67228542 ZSUJUONYJRJRRS-QAPCUYQASA-N 345.443 1.139 0 40 EDAB Cc1csc(=O)n1CCOC(=O)c1ccc2c(c1)CCC(=O)N2 15544322 CIVLJBGZVHEJKL-UHFFFAOYSA-N 332.381 1.960 0 40 EDAB CC(=O)NCCNC(=O)CSc1nc(-c2ccccc2)ns1 67737919 OPYYJCBBDDMEHC-UHFFFAOYSA-N 336.442 1.550 0 40 EDAB O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC(n2ccnn2)C1 96000459 SBRRQOYDPYIIRO-UHFFFAOYSA-N 348.306 1.422 0 40 EDAB COCCN1CC[C@@H](CNC(=O)CCc2ccc3c(c2)OCO3)C1 68493433 XSYDSFUGXZFEJG-HNNXBMFYSA-N 334.416 1.432 0 40 EDAB Cn1cc([C@H]2CN(Cc3ccccc3N3CCOCC3)CCO2)cn1 93647934 MCOISYWZVNVAAN-LJQANCHMSA-N 342.443 1.830 0 40 EDAB CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)/C=C/c1ccccc1 69388942 BXJIMPNLBIOQMP-HBWSCVEGSA-N 340.470 1.840 0 40 EDAB CCN(C(C)=O)c1nc(CN2CCO[C@@H](Cn3cccn3)C2)cs1 69392446 FBSQDEMPVUZPCX-OAHLLOKOSA-N 349.460 1.613 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCCN2CCCCC2)c1 17067277 SCMPYJFNNJFBAI-UHFFFAOYSA-N 328.434 1.468 0 40 EDAB CCn1cnnc1CNCc1c(C(C)C)nn(C)c1N1CCOCC1 69442999 ULCDOHBXLZDLRF-UHFFFAOYSA-N 347.467 1.281 0 40 EDAB CC[C@H]1CN(C(=O)NCCS(=O)(=O)Cc2ccccc2)CCO1 69455556 VTCQHGPLQCKYNW-HNNXBMFYSA-N 340.445 1.422 0 40 EDAB CCc1cc(=O)[nH]c(CN2CCC[C@H](c3nncn3C3CC3)C2)n1 91629817 PYGICEQMEMBPIE-LBPRGKRZSA-N 328.420 1.638 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)C(=O)NCc3ccsc3)ccc21 69563465 IXRVAEKVXQYJOO-UHFFFAOYSA-N 331.353 1.448 0 40 EDAB COC(=O)c1cccc(CCNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 91704211 TWCZQKIHHVFOHS-CJNGLKHVSA-N 345.443 1.940 0 40 EDAB CC(C)n1cc(CN2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)cn1 69600268 KSCTZUWDEFOYPZ-OAHLLOKOSA-N 345.451 1.351 0 40 EDAB NC(=O)[C@@H](NC(=O)C1CCOCC1)c1cccc(Br)c1 69623700 ONEHULOPNFBPSX-LBPRGKRZSA-N 341.205 1.518 0 40 EDAB CCOCCN1CCN(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]1CC 69817475 AGXLHLZPHOJJQC-HNNXBMFYSA-N 344.459 1.856 0 40 EDAB C[C@H](C(=O)NCCc1ccccc1)N1CCC[C@H](Cn2cncn2)C1 69926445 ATMORZMTFGEGMM-AEFFLSMTSA-N 341.459 1.738 0 40 EDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 8704224 DNBMGXLUPGXBEK-GFCCVEGCSA-N 337.383 1.902 0 40 EDAB Cc1cccc(-c2noc(CN3CCN(C[C@@H](C)O)[C@H](C)C3)n2)c1 71864516 WWNOZLYBKSAITL-HUUCEWRRSA-N 330.432 1.932 0 40 EDAB O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cnn[nH]1 71896696 RFGLGQJBLVQQGT-LBPRGKRZSA-N 337.786 1.992 0 40 EDAB CN(CC(=O)NC[C@@H]1C[C@@H]1c1ccccc1)c1ncnc2[nH]cnc12 95394783 BENDXVACJASCSK-UONOGXRCSA-N 336.399 1.709 0 40 EDAB CCn1cc(C(=O)OCC(=O)NCC2CC2)c(=O)c2ccc(C)nc21 95349041 NEGFTDBKKISTON-UHFFFAOYSA-N 343.383 1.408 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)CNc2cc(F)c(F)cc2F)C1 97080261 GNHUCZBONJMUAY-JTQLQIEISA-N 329.322 1.643 0 40 EDAB CCc1nc(C(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c[nH]1 95407362 NRRDAPBESMKJAL-PBHICJAKSA-N 342.443 1.991 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)C[C@H]3CCOc4ccccc43)CCO2)n1 72299555 KLUSRXZNWDQXRD-CJNGLKHVSA-N 342.399 1.969 0 40 EDAB O=C([C@@H]1CSc2ccccc2O1)N1CCC[C@H](n2cncn2)C1 72235020 IACGAMBNBNWXHJ-JSGCOSHPSA-N 330.413 1.995 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)nnn3C)no1 72299107 GPTDULMTLSJVRR-ZDUSSCGKSA-N 326.360 1.891 0 40 EDAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCN1c1ncccn1)c1cccs1 72273049 HWNLUCYJJPTYBD-KBPBESRZSA-N 345.472 1.926 0 40 EDAB Cc1noc([C@@H]2COCCN2C[C@H](O)COc2ccc(F)cc2)n1 97109115 YHRXXSPDRPXUBR-ZFWWWQNUSA-N 337.351 1.330 0 40 EDAB CCc1cccc(OCCN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)c1 72300792 RVIAAEUIIVFWES-HNAYVOBHSA-N 345.443 1.938 0 40 EDAB CCOC(=O)[C@@H](CO)NC(=O)CCc1cccc(OC2CCCC2)c1 95456357 LFJYXYYIGBUYJW-QGZVFWFLSA-N 349.427 1.981 0 40 EDAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCc1cccnc1-n1ccnc1 95961101 ALCYZKTXPOWBSV-ZNMIVQPWSA-N 341.415 1.880 0 40 EDAB O=S(=O)(NC1CC1)[C@H]1CCN(C[C@H](O)c2cc(F)ccc2F)C1 95973137 AQKHCKSGVIYNAJ-WFASDCNBSA-N 346.399 1.154 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)C1 95956338 AWCKWILZLVSALN-SJORKVTESA-N 343.427 1.162 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(C)noc1C 88787046 ZALLRUDIHVKZDU-SNVBAGLBSA-N 325.394 1.259 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 26754874 NHOTVDJBHGLXIR-GFCCVEGCSA-N 337.850 1.504 0 40 EDAB CCO[C@H]1C[C@@H](NS(=O)(=O)c2cnn(C)c2)C12CCCCC2 75103837 NKLVKHOZVOBTRJ-KGLIPLIRSA-N 327.450 1.826 0 40 EDAB CN1CC[C@@H](N(C)C(=O)c2cc(F)ccc2Br)C1=O 75143088 GPNUTRJVYMWFKB-LLVKDONJSA-N 329.169 1.891 0 40 EDAB Cc1ccc(CCNS(=O)(=O)c2cc(Cl)cnc2N)cn1 89652226 ZGQBHATXZMWWPO-UHFFFAOYSA-N 326.809 1.542 0 40 EDAB CCOc1cc(Br)cc(/C=C2/NC(=O)NC2=O)c1O 408918026 FGTDGHQLAXWHIS-XBXARRHUSA-N 327.134 1.734 0 40 EDAB O=C(NCCc1cnccn1)N1CCOC[C@H]1c1ccc(F)cc1 556743810 KWJYSCHZWLNCJJ-INIZCTEOSA-N 330.363 1.941 0 40 EDAB COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409375956 RIORPRRFYXXRIS-XJIUQZFPSA-N 333.340 1.687 0 40 EDAB CNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC(C)C 217696963 JUZHPDVXUOYUMH-UHFFFAOYSA-N 330.406 1.520 0 40 EDAB N[C@]12CC[C@H]1CN(C(=O)NCc1ccc(CN3CCCC3)cc1)C2 1553421403 OOWWKTXVUVCWFT-HKUYNNGSSA-N 328.460 1.915 0 40 EDAB O=C(NCCN1CCOCC1)[C@H]1CCCN(Cc2ccccc2)C1 30944308 WWTDAERENFNGEN-SFHVURJKSA-N 331.460 1.347 0 40 EDAB O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H]1CCCC[C@@H]1O 73933190 FZWCRONEBHHDMT-MJGOQNOKSA-N 345.487 1.866 0 40 EDAB COc1ccc([C@@H]2[C@@H](C(=O)NCCCN(C)C)CCC(=O)N2C)cc1 72242052 JBAQQRFVTSKIJC-FUHWJXTLSA-N 347.459 1.673 0 40 EDAB CCc1nsc(N2CCCN(CC(=O)NCc3ccco3)CC2)n1 76184906 NKSAOXUYSZNRQT-UHFFFAOYSA-N 349.460 1.522 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N1CCc2cc(F)ccc2[C@H]1C 73881160 JHJQBUBUHZNVIB-GFCCVEGCSA-N 342.436 1.943 0 40 EDAB C[C@@H]1CN(C(=O)CN2CCN(c3ccccc3F)CC2)C[C@@H](C)O1 72520157 JSWVRMATHACDBZ-HUUCEWRRSA-N 335.423 1.584 0 40 EDAB COc1ccc(-c2n[nH]c(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)n2)cc1 71279760 DKSXKMUTHQAOCL-WDEREUQCSA-N 330.344 1.776 0 40 EDAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 32815695 VKYYBVALGJABIE-JTQLQIEISA-N 344.289 1.823 0 40 EDAB CCNC(=O)[C@H]1CCCN(C(=O)c2cccn2C2CCNCC2)C1 195543360 MIWLWVSDPZCFOE-AWEZNQCLSA-N 332.448 1.401 0 40 EDAB C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)c1ccc(Cl)cc1 225961427 UGOYPSBEXAGCEE-SNVBAGLBSA-N 333.841 1.255 0 40 EDAB NC(=O)CN(Cc1cccc(Br)c1)C1CCOCC1 225528700 HZYLIIPTKMNWOK-UHFFFAOYSA-N 327.222 1.915 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](O)c1cccn1C 75155150 SPYODLCZEOILRC-AWEZNQCLSA-N 331.372 1.130 0 40 EDAB Cc1cc(C)c(N2CC[C@H](N(C)CCS(C)(=O)=O)C2=O)c(C)c1 190510229 RXNHLRPEUZNFSK-HNNXBMFYSA-N 338.473 1.694 0 40 EDAB CN1CCC[C@H](NC(=O)Nc2nnc(C3CCOCC3)s2)C1=O 529111740 VQJYVQOHJZCALH-JTQLQIEISA-N 339.421 1.174 0 40 EDAB CN(c1ncccn1)S(=O)(=O)c1cnc(-c2ccccc2)nc1 193843256 SCFHKSLCMNWYRT-UHFFFAOYSA-N 327.369 1.759 0 40 EDAB Cc1cnc(C2CCN(C(=O)N[C@H]3CC[S@](=O)C3)CC2)s1 582055885 IMISIZFRKNMGHU-QKVFXAPYSA-N 327.475 1.862 0 40 EDAB Cc1ccc(N2CCO[C@H]3CN(C(=O)c4ccoc4C)C[C@H]32)nn1 96054409 YPJIEQUELSGUES-CABCVRRESA-N 328.372 1.416 0 40 EDAB c1cc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)ccn1 96226511 VOLWAHQYKVNHOE-SFHVURJKSA-N 325.416 1.743 0 40 EDAB O=C(NCCc1ccc(-n2cccn2)cc1)N1CCN(C2CC2)CC1 96404190 FHVVWJRXWWCPTC-UHFFFAOYSA-N 339.443 1.904 0 40 EDAB CC(C)NC(=O)N1CCN(Cc2ccco2)C[C@@]2(CC(=O)N(C)C2)C1 96036089 VQOQFPZXOCBJAY-SFHVURJKSA-N 348.447 1.364 0 40 EDAB CN(C)S(=O)(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C2=O 96202945 ALIVYDFUEMUVCE-UHFFFAOYSA-N 341.408 1.061 0 40 EDAB Cn1ccnc1CN1CCC[C@]2(COCCN(c3ncccn3)C2)C1 96076534 RVBPUQXAXKQTHN-SFHVURJKSA-N 342.447 1.329 0 40 EDAB CC(C)(CCN1C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C1=O)S(C)(=O)=O 578851791 UOSWTSQWZYAKLZ-XQQFMLRXSA-N 342.461 1.795 0 40 EDAB Cc1cccnc1N1CCc2nc(N3CCOCC3)nc(C)c2C1 96083690 OQCVVXGDXLECPO-UHFFFAOYSA-N 325.416 1.888 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCNC(=O)CC1CCCC1 96402775 GVSAHQHATKTWEI-UHFFFAOYSA-N 342.465 1.012 0 40 EDAB O=C(c1cccnc1)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 96202330 CGRGYKYFHGSBQI-SFHVURJKSA-N 339.399 1.241 0 40 EDAB CO[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)C[C@@H]1Cc1ccccc1 96110165 RMEPEBMRRHMDQP-JKSUJKDBSA-N 349.456 1.688 0 40 EDAB CN(C)c1nc(N2CCOCC2)nc2c1CN(Cc1ccco1)CC2 96254005 MNRTXDLJIUPHCL-UHFFFAOYSA-N 343.431 1.531 0 40 EDAB CC(C)Nc1ncnc2c1c(C(=O)NCCN(C)C)c1ccccn12 96146721 JFSMXNRIAJEAOK-UHFFFAOYSA-N 340.431 1.994 0 40 EDAB CC(C)(C)c1noc(C2(NC(=O)[C@H]3CCC(=O)N3)CCCCC2)n1 97372717 GPDYJMHFTCQLOS-LLVKDONJSA-N 334.420 1.921 0 40 EDAB COC[C@H]1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)C1 96427221 GRWNLHXCMLTBAV-INIZCTEOSA-N 332.448 1.089 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)NCCc2cc(F)ccc2F)cn1 96447014 NVBCXTCVESZZGB-INIZCTEOSA-N 338.358 1.448 0 40 EDAB O=C([C@H]1CCOC1)N1CCCn2cnc(CNc3ncccn3)c2C1 96084663 VNYUIZOSBBYOAA-ZDUSSCGKSA-N 342.403 1.054 0 40 EDAB O=C(c1cnccn1)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 96039859 GAUKAGUWEAJTFI-WMZOPIPTSA-N 331.416 1.915 0 40 EDAB Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccccc3)[C@H]2O)cc1 96111597 HYAVPNNCBIQMNQ-QRVBRYPASA-N 340.423 1.643 0 40 EDAB biogenic,in-vitro C[C@H](C(=O)N1CCN(c2nncc3ccccc23)CC1)n1cccn1 96443700 ZYDRAMQUCDBQAU-CQSZACIVSA-N 336.399 1.736 0 40 EDAB Cc1ccc(N2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)nn1 247940852 UNVRHUQTOSTIRY-MRXNPFEDSA-N 333.432 1.966 0 40 EDAB O=C(c1cccnc1)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 247873752 MYHMPLAJWZHMPC-SJLPKXTDSA-N 342.399 1.369 0 40 EDAB COc1ccc(C)cc1CC(=O)Nc1ccc2c(c1)B(O)OCC2 584912826 NCFDTSURJPABAM-UHFFFAOYSA-N 325.173 1.445 0 40 EDAB C[C@]1(C(=O)NCc2cccnc2N2CCCCC2)CCC(=O)NC1 585079832 VEBPHUNGOVDSEK-SFHVURJKSA-N 330.432 1.604 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1c1ccc(CNC(C)=O)cn1 257282845 OVOIELRSGFSNCF-HNNXBMFYSA-N 325.434 1.594 0 40 EDAB CNc1cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)ccn1 257250413 JMKIBEISBROJLU-CQSZACIVSA-N 349.460 1.734 0 40 EDAB O=C1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)[C@H](C2CC2)C1 585125558 XDANZDLIDKQZAF-KRWDZBQOSA-N 347.459 1.884 0 40 EDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)Cc1ccc(F)cc1 257265783 MAFRKPKKUJCUGH-QGZVFWFLSA-N 328.347 1.161 0 40 EDAB Cc1nnc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)s1 252481941 CVSXRJDAHJJEFG-UHFFFAOYSA-N 340.386 1.287 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)CCCn2cccn2)n1 257230702 GDMJNHQAPTUAQN-AWEZNQCLSA-N 331.376 1.067 0 40 EDAB Cn1nc(N)c2ccc([C@@H]3CCCN(C(=O)Cn4cccn4)C3)nc21 257221300 DOJJSDIZSDSBSE-GFCCVEGCSA-N 339.403 1.153 0 40 EDAB COCC(=O)N1CCC[C@@H](c2cnc(-c3c(C)nn(C)c3C)cn2)C1 257281955 ORRCSCBAUPMMIU-CQSZACIVSA-N 343.431 1.846 0 40 EDAB Cc1c(CNC(=O)N2CCN(C(=O)c3ccsc3)CC2)cnn1C 270251649 FLYBJBXAEPCSOV-UHFFFAOYSA-N 347.444 1.458 0 40 EDAB O=C1C[C@@H](c2ccccc2)N(C(=O)[C@@H](C2CC2)N2CCCC2)CCN1 273438010 AIJYFAIBECGFBP-PKOBYXMFSA-N 341.455 1.951 0 40 EDAB COCCN(C)c1nnnn1Cc1cc(Cl)c2c(c1)OCCO2 1616036101 HFLBYRWXTOJKNZ-UHFFFAOYSA-N 339.783 1.229 0 40 EDAB CC(C)[C@@H](NCCOCCO)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1615000698 CAWOXEUUBHSWNF-HUUCEWRRSA-N 330.469 1.867 0 40 EDAB CC(C)CCNS(=O)(=O)c1cccc(N(C)Cc2cnccn2)n1 1615050804 KZWKLQRYGNJORM-UHFFFAOYSA-N 349.460 1.832 0 40 EDAB O=C(NCc1ccnc(NC2CC2)c1)[C@H]1COCCN1C1CCCC1 1615001416 SEZSDBBMWABKRO-QGZVFWFLSA-N 344.459 1.916 0 40 EDAB N[C@H]1C[C@H](NC(=O)c2nn3c(c2Br)CCC3)C12CCC2 1615555458 UAGSFSHUFPXCEG-UWVGGRQHSA-N 339.237 1.592 0 40 EDAB O=C(O)CN(C(=O)c1ccc2c(c1)CCCC(=O)N2)C1CCOCC1 647733831 INHHYFLPJXFNIO-UHFFFAOYSA-N 346.383 1.667 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1cc2cc(F)ccc2[nH]1 585287968 KFDJZLNKNLZVKK-OAGGEKHMSA-N 336.363 1.808 0 40 EDAB Cn1cc(CN2Cc3ccnn3[C@@H](CCNC(=O)C3CC3)C2)cn1 585113011 ZYCYHXLNXPUSFF-HNNXBMFYSA-N 328.420 1.090 0 40 EDAB CCCN1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 585101550 QPNKOJYJNFNYBN-QGZVFWFLSA-N 337.395 1.174 0 40 EDAB C[C@@H]1c2ncc(CCOCC3CC3)n2CCN1C(=O)C1CC(O)C1 585097079 FLCUGODWPKZDCG-XEBKBJJBSA-N 333.432 1.526 0 40 EDAB CCc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)s1 65520644 FRNZTIHBEWDAAP-LLVKDONJSA-N 330.475 1.854 0 40 EDAB O=C(c1ccc2c(Br)cnn2c1)N1CC[C@](F)(CO)C1 935868117 YSWRWZQDMDRNGG-CYBMUJFWSA-N 342.168 1.643 0 40 EDAB O=C(C1CC1)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1 1775995087 AXIMLCBZKLNOHW-UHFFFAOYSA-N 340.431 1.841 0 40 EDAB O=C(NC1CN(c2ncnc3ccsc23)C1)c1cncc(F)c1 1776009187 AJZVCOHHULOHTR-UHFFFAOYSA-N 329.360 1.844 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(CCOc3ccc(F)cc3)C2)C1=O 84597357 XBEIRWWAHUTOGO-QGZVFWFLSA-N 335.379 1.609 0 40 EDAB CNC(=O)[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1 78625898 XRBXORYAGSGCCU-SECBINFHSA-N 326.194 1.442 0 40 EDAB COc1cc(C(=O)OCC(=O)NCc2ccco2)ccc1OC(C)=O 89265740 MTMBYVXAALWMKJ-UHFFFAOYSA-N 347.323 1.687 0 40 EDAB Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)cn1 583619459 AAJBOEOBFJRTFV-DZGCQCFKSA-N 327.388 1.073 0 40 EDAB COC(=O)[C@@H](c1cccc(O)c1)N(C)CC1(CS(C)(=O)=O)CC1 585116228 MPHILGKPGBLTKX-CQSZACIVSA-N 341.429 1.363 0 40 EDAB COCc1cn([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3)C2)nn1 1775965547 CKQPJOPMBKRCKB-CYBMUJFWSA-N 340.380 1.199 0 40 EDAB CCOC(=O)C1=NN[C@@H](S(=O)(=O)C(C)(C)C)[C@H]1c1ccccc1 5048844 BYCRYVXIRAYLCZ-JSGCOSHPSA-N 338.429 1.832 0 40 EDAB CC[C@H](C=C(C(=O)OC)C(=O)OC)CN1C(=O)c2ccccc2C1=O 5599068 ZLSXAWKBOCZUCR-LLVKDONJSA-N 345.351 1.581 0 40 EDAB O=C(COC(=O)c1ccc2c(c1)OCO2)NCCc1ccccc1 5900109 SDRHYDZYNKUYMQ-UHFFFAOYSA-N 327.336 1.931 0 40 EDAB COC(=O)[C@@H]1Cc2ncn(C)c2CN1C(=O)c1ccc(OC)cc1 15676561 QYSQDKQBNAASIM-AWEZNQCLSA-N 329.356 1.169 0 40 EDAB biogenic,in-vitro CN1C[C@@H](c2cc(=O)[nH]c(NCc3ccccc3Cl)n2)CC1=O 19587518 WCFHSJHQVQBCBG-NSHDSACASA-N 332.791 1.981 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)CCc2c(C)noc2C)C1 225806327 OHPRELJHKJQJHQ-ZDUSSCGKSA-N 346.387 1.703 0 40 EDAB CCn1nccc1C(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 390829164 DDSVSVKFWIPJOY-VIFPVBQESA-N 342.325 1.549 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O 2646978 RGBHSFBRFKIRLW-PIGZYNQJSA-N 341.371 1.250 0 40 EDAB O=C([C@@H]1CN(Cc2cc(C3CC3)on2)CCO1)N1CCSCC1 1888834065 XZIJEABJCNSHIZ-HNNXBMFYSA-N 337.445 1.328 0 40 EDAB CCOc1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1OC 22740762 WRYDRONEGSEDRF-OAHLLOKOSA-N 327.402 1.401 0 40 EDAB NCCCOC(=O)N[C@@H](Nc1ncccn1)C(Cl)(Cl)Cl 1857523716 JQTSJVDIFMKETH-SSDOTTSWSA-N 342.614 1.660 0 40 EDAB Cn1nc([C@H]2CN(c3ncnc4[nH]cnc34)CCO2)c2cccnc21 2037844315 SYSVYQBEQUWXSI-LLVKDONJSA-N 336.359 1.213 0 40 EDAB Cc1ccnc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)n1 2086968300 ISKLOHPNRCZRNC-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB O=C(c1cccs1)N1C[C@H]2[C@@H](C1)OCCN2Cc1cccnc1 1565541976 IZJOZISVWODOES-LSDHHAIUSA-N 329.425 1.869 0 40 EDAB O=C(N1CCCn2c(CN3CCCCC3)nnc2C1)C1(F)CCC1 1565545982 QCBHIZGLZAYTRY-UHFFFAOYSA-N 335.427 1.889 0 40 EDAB C[C@@H]1O[C@@H](Nc2ccc(OC(F)(F)Cl)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 4185492 SSZQWCRMTHHHNO-KHIDNNIESA-N 339.722 1.094 0 40 EDAB COc1cc(C(=O)N2CC[C@@]3(CCC[C@@H]3C(=O)NCC3CC3)C2)on1 2055772940 AUVFWYSENLGFNY-ACJLOTCBSA-N 347.415 1.842 0 40 EDAB Cn1nc(-c2cccs2)cc1CNC(=O)c1cccn(C)c1=O 1775966657 SBOHLPVBMQTRJR-UHFFFAOYSA-N 328.397 1.777 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)N1CC(CN2C(=O)CCC2=O)C1 1775967998 IGQOXSXVPFRKDD-UHFFFAOYSA-N 331.328 1.028 0 40 EDAB O=C(CNS(=O)(=O)c1cccc(Cl)c1)N1[C@H]2C=CC[C@H]1CC2 208017368 BZGHGNUNYUKZAB-STQMWFEESA-N 340.832 1.938 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](Oc2ccncn2)C1 575614078 WISNGKQPTXBOAP-CYBMUJFWSA-N 337.376 1.766 0 40 EDAB O=C(NCc1cn(-c2cccnc2)nn1)c1cc(-c2cccnc2)on1 575617499 DLCZZTYHZPVDOS-UHFFFAOYSA-N 347.338 1.642 0 40 EDAB CCC(Nc1cccc(C(=O)O)c1)=C1C(=O)N(C)C(=O)N(C)C1=O 17248950 QDPNVRMJPUUMBH-UHFFFAOYSA-N 331.328 1.511 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N(C)Cc1cc(C)on1 30337830 CXQUIEXNHBUWSA-UHFFFAOYSA-N 330.387 1.652 0 40 EDAB CN1N=C(C(=O)NCCc2cnn(-c3ccccc3)c2)CCC1=O 40487867 WSKIVYKPVIVRTN-UHFFFAOYSA-N 325.372 1.139 0 40 EDAB CC(C)N1C[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)CC1=O 40508683 AWJHVJGGLXNZEV-CYBMUJFWSA-N 332.404 1.114 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 40529773 VKFQRSYWVRCSGU-UHFFFAOYSA-N 346.836 1.213 0 40 EDAB C[C@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)[C@H]1CCCO1 40501176 DBOAMUJJXFBNSI-DZGCQCFKSA-N 334.420 1.285 0 40 EDAB O=C1Nc2ccccc2[C@]12N=c1ccccc1=C(O)N2Cc1ccco1 20673471 IPFGUKLLRKLQOI-HXUWFJFHSA-N 345.358 1.844 0 40 EDAB O=C(NCc1ccco1)c1nc(COc2ccc3c(c2)OCO3)no1 20732990 SOQMBWKPXPUEIX-UHFFFAOYSA-N 343.295 1.900 0 40 EDAB CCC(C)(C)NC(=O)CSc1nc(=O)[nH]c(C)c1C(=O)OC 32747409 IMLHORGKPHLTQN-UHFFFAOYSA-N 327.406 1.262 0 40 EDAB O=C(N[C@H]1C(=O)NN[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 465608 NBWUKGASCBKUCZ-UONOGXRCSA-N 333.750 1.953 0 40 EDAB CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1cccnc1 406838 BNMZUEWEZLLTGR-LBPRGKRZSA-N 328.324 1.601 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)no1 12029053 HOZBNNOORISUIK-ZDUSSCGKSA-N 335.385 1.775 0 40 EDAB CCOCc1ccccc1CNC(=O)NC[C@@H]1CCS(=O)(=O)C1 46892288 BJEICRFUQKVGOK-ZDUSSCGKSA-N 340.445 1.457 0 40 EDAB COC(=O)c1ccc(COC(=O)c2n[nH]c(=O)c3ccccc23)o1 61172077 DDARFTNWJACZJH-UHFFFAOYSA-N 328.280 1.660 0 40 EDAB CCS(=O)(=O)CC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 53115340 DQCXRVVGRQJDDP-CHWSQXEVSA-N 340.445 1.673 0 40 EDAB CCn1nc(C(C)C)cc1C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 76051885 NSPBQDGEPGFZCH-YOEHRIQHSA-N 334.464 1.819 0 40 EDAB Cn1c(=O)n(CN2CCN(Cc3cccs3)CC2)c2cnccc21 78876015 TVHRWRDEYHPNBD-UHFFFAOYSA-N 343.456 1.572 0 40 EDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCC[S@@](=O)c1ccccc1 78869974 CFKKXYLEVIZDQX-AIXCCZOISA-N 336.457 1.907 0 40 EDAB Cn1ccnc1CNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 78985253 IXFAOBTZJBJMLT-UHFFFAOYSA-N 331.767 1.043 0 40 EDAB CC[C@H](CCO)CNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 79074277 UDBRRULIBJUAOG-RHSMWYFYSA-N 338.423 1.724 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@@H]2CSc3nnc(C)c(=O)n32)cc1 2213339 ZIFBRVPEBZOERC-NSHDSACASA-N 337.426 1.376 0 40 EDAB CN(C(=O)c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 4504608 NUSPDKAMNPKEDI-VIFPVBQESA-N 332.219 1.708 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 7070665 YDUBCLREPOFARP-SECBINFHSA-N 335.809 1.969 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc2ncccc2c1 100299760 OXFAUNBEYLXQFP-DSIZOQBWSA-N 347.374 1.980 0 40 EDAB Cc1cnn(C[C@@H]2CN(C[C@@H](O)COCc3ccccc3)CCO2)c1 106666362 OWFNKQBFJFLYEF-MOPGFXCFSA-N 345.443 1.470 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1 12509796 KDRYTWFSYPHIHG-STQMWFEESA-N 329.400 1.584 0 40 EDAB Cc1ccc(CN(C)C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)o1 25449650 UJBZTKQYDYBYQY-UHFFFAOYSA-N 341.367 1.640 0 40 EDAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1cccc(F)c1 101568031 VWSSGGXGLTVPHH-XJIUQZFPSA-N 338.331 1.212 0 40 EDAB Cn1c(CN(Cc2ccco2)Cc2cccs2)cc(=O)n(C)c1=O 56665156 CKLCNFAVXWBMDA-UHFFFAOYSA-N 345.424 1.941 0 40 EDAB CC(C)c1cc(NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)[nH]n1 58225058 VOEUDEDKOZYBCB-UHFFFAOYSA-N 347.400 1.837 0 40 EDAB CC(C)CCC(=O)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 58208873 NGOGQRGZNJQUHN-UHFFFAOYSA-N 332.360 1.120 0 40 EDAB Cc1csc(NC(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 58227995 KMYLDBOVJDKPOF-GFCCVEGCSA-N 343.474 1.289 0 40 EDAB NC(=O)CCCNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 44935141 GWTBXODERCSWJL-UHFFFAOYSA-N 341.293 1.281 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)COCc1nc2ccccc2s1 44940402 PPVRGWQGDHULKA-ZDUSSCGKSA-N 349.456 1.650 0 40 EDAB c1ccc(Cn2nnnc2CNCCN2CCc3ccccc3C2)cc1 48261759 OBJQQGQKBSNBRO-UHFFFAOYSA-N 348.454 1.869 0 40 EDAB Cc1cccc(OC[C@H](O)Cn2nc(C)c3c(C)onc3c2=O)c1 58327052 HSRCDKUUQUQJIW-CYBMUJFWSA-N 329.356 1.750 0 40 EDAB Nn1c(SCC(=O)Nc2ccccn2)nnc1-c1ccccc1 59042108 WWVOIQRWBRBUTN-UHFFFAOYSA-N 326.385 1.785 0 40 EDAB C[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)c1c[nH]c2ccccc12 11005064 DYODDLASOFQWBD-GHMZBOCLSA-N 335.381 1.717 0 40 EDAB O=C(COC(=O)c1c(F)cccc1F)NC(=O)NCc1ccco1 3396848 SXBVGWZJFRZPJH-UHFFFAOYSA-N 338.266 1.741 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1CC(=O)N1CCCc2ccccc21 3417552 FMLMONYQTUTQRW-KRWDZBQOSA-N 345.424 1.393 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)C(C)C)C2=O)cc1 3550827 CGCKBZHKAJGVEU-FZKQIMNGSA-N 331.416 1.923 0 40 EDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1=NN(C)C(=O)CC1 13004158 WEORJWOOPDGJHI-UHFFFAOYSA-N 349.343 1.037 0 40 EDAB Cc1cc(CS(=O)(=O)N2C[C@@H](N(C)C)Cc3ccccc32)no1 92865369 BWBVSYDNFGAQSU-HNNXBMFYSA-N 335.429 1.806 0 40 EDAB CONC(=O)[C@@H](CCSC)NC(=O)c1ccc2ccccc2n1 63537423 PAQOLQPDNKTCPY-CQSZACIVSA-N 333.413 1.764 0 40 EDAB O=C(NCC(F)(F)F)C1CCN(c2cn[nH]c(=O)c2Cl)CC1 26776293 CAJPXSUCZSTDQT-UHFFFAOYSA-N 338.717 1.318 0 40 EDAB Cc1ccc(C)c(N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)c1 65554283 AYWHZJNNTGBROT-HNNXBMFYSA-N 338.473 1.822 0 40 EDAB CCCCc1nc(C)c(C(=O)N2CCCN(CC(N)=O)CC2)s1 65523008 PMJWDTCPMUCHNJ-UHFFFAOYSA-N 338.477 1.427 0 40 EDAB C[C@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H]1CCS(=O)(=O)C1 65537913 XTXPDIDIRXWWIX-GXTWGEPZSA-N 344.477 1.012 0 40 EDAB CCOc1ccc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)cc1 14139260 NZKNWZRHYPPKPF-UHFFFAOYSA-N 331.416 1.578 0 40 EDAB Cc1c(NC(=O)[C@@H]2COc3ccccc3O2)cccc1-n1cnnn1 14169477 CRUJIOZVRMEAGY-INIZCTEOSA-N 337.339 1.749 0 40 EDAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC[C@H](n2cccn2)C1 65608417 GNMKAGKROAISNC-INIZCTEOSA-N 349.394 1.906 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@]1(O)CCCc2ccccc21 66931293 ZXZZNVBEYCUEHI-SUMWQHHRSA-N 337.441 1.152 0 40 EDAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2C(=O)O)c(OC)c2c1OCO2 15108214 HFHDDBIDYBKLKK-MVIFTORASA-N 349.339 1.521 0 40 EDAB CC(C)NC(=O)c1cccc(CNC(=O)N2CCC[C@H](CO)C2)c1 67466027 CBDZBYUSVGUNEN-HNNXBMFYSA-N 333.432 1.739 0 40 EDAB CCNC(=O)NC(=O)COC(=O)c1csc(NCCC(C)C)n1 7353349 IXRFMLMJENPPLX-UHFFFAOYSA-N 342.421 1.604 0 40 EDAB Cc1ccc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cc1 31711365 ZPFFUNXQUCVUPO-UHFFFAOYSA-N 334.397 1.290 0 40 EDAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21 7983063 QHWIQQGBTBBGBW-UHFFFAOYSA-N 337.335 1.822 0 40 EDAB CCN(CC)CCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 72238056 YAQOMZAVSVAOTM-IAGOWNOFSA-N 333.432 1.043 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[C@H]2CCCC[C@H]2C1 16694866 GLVZMCISBMPCJT-KGLIPLIRSA-N 333.432 1.890 0 40 EDAB Cc1ccc(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 71768161 AOMPRZVLUSHVQM-UHFFFAOYSA-N 343.471 1.870 0 40 EDAB CS(=O)(=O)N1CCC(CNCc2cc(F)c(F)c(F)c2)CC1 71794749 NDEIHNCDPRKIPE-UHFFFAOYSA-N 336.379 1.865 0 40 EDAB CNS(=O)(=O)CC(=O)N(Cc1ccco1)c1ccc(F)cc1 83608889 LIEIJCRLDXMJBK-UHFFFAOYSA-N 326.349 1.501 0 40 EDAB CN1C[C@@H](C(=O)NCc2nccn2CCCc2ccccc2)CC1=O 81931743 MHQRIPWEVJSSIR-INIZCTEOSA-N 340.427 1.610 0 40 EDAB Nc1nc(N)nc(CSc2nnc(-c3cccnc3)n2C2CC2)n1 8325201 KCVBHBFIZSERGB-UHFFFAOYSA-N 341.404 1.317 0 40 EDAB Cc1ncc2c(n1)CN(CC(=O)N1CCC(c3ccccc3)=N1)CC2 69452192 MDVAWRDFJDBKHE-UHFFFAOYSA-N 335.411 1.780 0 40 EDAB Cc1ccc(CNC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)s1 71856621 QBLUWYQLJNIROP-CYBMUJFWSA-N 338.477 1.443 0 40 EDAB O=C(NCCCNc1ncccn1)[C@H]1CCCN1c1nccs1 71896103 AKIGLLDBSKGTOO-GFCCVEGCSA-N 332.433 1.520 0 40 EDAB COc1ccnc(N2CCN(C(=O)Cc3ccc(C)nc3)CC2)n1 71819951 NHVKXNABWCTORU-UHFFFAOYSA-N 327.388 1.080 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)[C@@H]1CCCCN1Cc1ccncc1 69772912 AFUPBMCIFWVVFC-INIZCTEOSA-N 332.448 1.419 0 40 EDAB CS(=O)(=O)CCOc1cccc(NC(=O)NCc2cccnc2)c1 69775904 PBZTVXKOEOXNQM-UHFFFAOYSA-N 349.412 1.827 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)c2cc(C)nn2CC)CC1 69738048 RQDOLUBPFPAWIJ-UHFFFAOYSA-N 344.463 1.776 0 40 EDAB CCCc1nc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)no1 71824532 OTMSBPNUWKDBLS-KRWDZBQOSA-N 342.355 1.752 0 40 EDAB CN1CCC(N(C)C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1 69948096 ILNHDTMYQAVNCJ-CYBMUJFWSA-N 343.493 1.849 0 40 EDAB CCc1nc2n(n1)C[C@H](N[C@@H](C)c1nc3ccccc3c(=O)[nH]1)CC2 69902301 CWTMTBRMHCKAGN-NWDGAFQWSA-N 338.415 1.743 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)/C=C/c2ccc(F)cc2)n1 72294731 RHMGLDBCFNMLDA-QPJJXVBHSA-N 337.376 1.719 0 40 EDAB CCCn1nc2c(cc1=O)CN(Cc1nnsc1Cl)CC2 72302290 LASHODPOYLSDOT-UHFFFAOYSA-N 325.825 1.717 0 40 EDAB COC(=O)[C@@H](NC(=O)[C@H]1CCCN(C(=O)N(C)C)C1)C(C)(C)C 95398855 XNRQEAVIQWHQPH-NWDGAFQWSA-N 327.425 1.084 0 40 EDAB COc1ccc(C(=O)CNC(=O)C[C@@H]2NC(=O)c3ccccc32)cc1 95474494 PAMMLAMFSQOKLJ-INIZCTEOSA-N 338.363 1.869 0 40 EDAB C[C@H](CNC(=O)NCCc1nnc2n1CCC2)N(C)c1ccccc1 95409927 GRBWDSPFWMWCPN-CQSZACIVSA-N 342.447 1.591 0 40 EDAB CN1CCC[C@@H](CN(C)C(=O)NCc2cn(-c3ccccc3)nn2)C1 88622452 YXVLYVUCGWIHOU-OAHLLOKOSA-N 342.447 1.751 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H]1CCS(=O)(=O)C1 95958709 CNCKIXSXAJEYDH-GOEBONIOSA-N 348.424 1.254 0 40 EDAB C[C@]1(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)CCOC1 95975265 SWQUVOSQRSFFEX-KRWDZBQOSA-N 340.387 1.880 0 40 EDAB C[C@H](c1cccc(F)c1)N1CCN(S(=O)(=O)c2c[nH]cn2)CC1 95939425 GGKORKHTVCORIJ-GFCCVEGCSA-N 338.408 1.616 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](Cc1ncc[nH]1)c1ccccc1 95974042 KOMNLUDTQHDZMQ-CABCVRRESA-N 341.415 1.614 0 40 EDAB O=S1(=O)CCC[C@@H](NC[C@H](c2ccccc2)N2CCOCC2)C1 95984906 IFQZEATXSSMZBF-IAGOWNOFSA-N 338.473 1.227 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 95991042 QSNQQGFITLWWQQ-VIFPVBQESA-N 327.310 1.926 0 40 EDAB C[C@@H](O)CN1CCC(CN(C)Cc2nnnn2-c2ccccc2)CC1 75131284 FIUFJHWJEZKJIZ-OAHLLOKOSA-N 344.463 1.187 0 40 EDAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1cnnc1[S@@](C)=O 75137315 ZRNVYBJVRXKMEU-WBNWAKSLSA-N 342.371 1.513 0 40 EDAB COc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCOC3)cc1 26442209 VNNBWWNLLNYLCO-LJQANCHMSA-N 325.388 1.802 0 40 EDAB O=C(C1CCOCC1)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 306141593 WBLDVFLULBTBGV-CVEARBPZSA-N 329.400 1.210 0 40 EDAB O=C(NCCc1cnccn1)N1CCOC[C@@H]1c1ccc(F)cc1 556743811 KWJYSCHZWLNCJJ-MRXNPFEDSA-N 330.363 1.941 0 40 EDAB COc1cc2nc(NN)n(Cc3cccnc3)c(=O)c2cc1OC 408712787 QXGHWUCJGDQOOQ-UHFFFAOYSA-N 327.344 1.143 0 40 EDAB O=S(=O)(c1ccccc1)[C@@H]1[C@@H](c2cccc(F)c2)C1(CO)CO 218454305 UDLBLHILERCRLJ-HZPDHXFCSA-N 336.384 1.736 0 40 EDAB CC(C)c1nncn1CCNC(=O)c1cccc(-n2cccn2)n1 73145531 UMXUEDOMPSXGJI-UHFFFAOYSA-N 325.376 1.412 0 40 EDAB O=C(CCn1cncn1)NC[C@H](O)c1c(Cl)cccc1Cl 77647725 CATGFSCIPUETOS-NSHDSACASA-N 329.187 1.825 0 40 EDAB CCCCOc1ncccc1CNC(=O)[C@@H]1CCCS1(=O)=O 566414873 VTGKERHRCCSKNJ-ZDUSSCGKSA-N 326.418 1.454 0 40 EDAB O=C(O)[C@H](CO)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 35648693 PPTXETCOLAMKRL-UMYFRRCYSA-N 327.358 1.472 0 40 EDAB Cc1csc(S(=O)(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1 562545840 WIACSLABFMTVIP-SUNKGSAMSA-N 344.458 1.161 0 40 EDAB CO[C@H]1CCC[C@H](C(=O)NCCn2nc(-c3ccco3)ccc2=O)C1 72346814 SDQBUFYOYQQMJO-KBPBESRZSA-N 345.399 1.825 0 40 EDAB O=C1CNc2ncnc(Nc3cnn(Cc4ccccc4F)c3)c2N1 41121473 ACECMUKCVBQUCU-UHFFFAOYSA-N 339.334 1.968 0 40 EDAB CCn1ncc(S(=O)(=O)N2CC[C@@H](c3nc(C)cc(C)n3)C2)c1C 72369758 HFDAHLWYYRRTSR-CQSZACIVSA-N 349.460 1.796 0 40 EDAB COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c(O)cc(C)[nH]c1=O 72405720 OTNZHMUFLIHSEW-LBPRGKRZSA-N 345.351 1.855 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 222423861 IPNXCJKQLZETLC-FSDCSDTHSA-N 332.444 1.986 0 40 EDAB O=C(c1ccccc1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225601208 IJHNOAFPIRDNRX-UHFFFAOYSA-N 338.411 1.818 0 40 EDAB COc1cc(Cl)c(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1OC 40485565 JLKBYUAPBORAPZ-QMMMGPOBSA-N 333.793 1.730 0 40 EDAB CCOC[C@@H](O)Cn1cnc2c(F)cc(Br)cc2c1=O 193832114 JZAOLFIRZWZCIQ-VIFPVBQESA-N 345.168 1.696 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCc2nnc(N)s2)cc1 222644552 SJSYCVFMEJKUJQ-SECBINFHSA-N 342.446 1.776 0 40 EDAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 225775545 BOLJWIFFLMICBP-LQKXBSAESA-N 338.367 1.788 0 40 EDAB O=C(NCC[C@@H](O)C1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 77108495 YDVYCNBKUSXSKJ-GFCCVEGCSA-N 330.306 1.921 0 40 EDAB CC(=O)NC[C@@H]1CN(Cc2c(Cl)cccc2C(=O)O)CCO1 577856784 HLTSPDPRNWZASK-LLVKDONJSA-N 326.780 1.375 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@]2(C[C@H](OCC3CCOCC3)CO2)C1 96110872 XBVBQBXWWGBXHG-HOCLYGCPSA-N 345.461 1.155 0 40 EDAB NC(=O)CN1CCCN(C(=O)C2(c3cccs3)CCCCC2)CC1 96414415 OZKGSZGVVOVUCH-UHFFFAOYSA-N 349.500 1.970 0 40 EDAB CCOC(=O)[C@H](CC(C)=O)NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 585088181 NUUJDEBONSBYMD-NWDGAFQWSA-N 342.392 1.023 0 40 EDAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2sc(Cl)nc2c1 585087330 YGJRUDQHYCHVCI-SSDOTTSWSA-N 347.849 1.753 0 40 EDAB CN(C)CCOCc1ncn2c1CN(C(=O)c1ccsc1)CC2 96260172 SVSSAVRUFZWWAU-UHFFFAOYSA-N 334.445 1.679 0 40 EDAB Cn1nccc1C(=O)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107384 JQFDVZWDPQEUEB-KDOFPFPSSA-N 342.399 1.658 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 583616359 IXVCHBOBIYSUQX-KFWWJZLASA-N 329.393 1.376 0 40 EDAB Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2ccc(F)cc2)cn1 96063920 NPPVXOAZEPVSHJ-CABCVRRESA-N 328.347 1.579 0 40 EDAB CC(C)N1CCOC[C@@]2(CC[C@H](CNc3cc(N(C)C)ncn3)O2)C1 96160704 AWPUDCWVABNVPE-CRAIPNDOSA-N 349.479 1.613 0 40 EDAB CN(CCn1cccn1)C(=O)c1cccc(OCC(F)(F)F)n1 96416467 AOBZKBXVBDWRPE-UHFFFAOYSA-N 328.294 1.991 0 40 EDAB CS(=O)(=O)c1ccc2c(c1)nc1n2[C@@H](CNC(=O)C2CC2)COC1 96112569 MJYYNSNUDKSJKK-NSHDSACASA-N 349.412 1.037 0 40 EDAB biogenic,in-vitro Cc1nn(C)c(=O)c(C(=O)NCc2cnc(CC(C)C)s2)c1C 96487235 NZLMSMVOVKDHOX-UHFFFAOYSA-N 334.445 1.982 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)N3Cc4cncnc4C3)CC2=O)cc1C 96025484 QICJWACYCTWRDI-CQSZACIVSA-N 336.395 1.989 0 40 EDAB Cn1cc(CN2CCC3(CC2)CN(Cc2ccccn2)CCO3)cn1 96158834 IJTKYGNUDBNMNP-UHFFFAOYSA-N 341.459 1.682 0 40 EDAB COC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccc(OC)cc1)C2 247889092 MBQMKKLWPTVBKF-AWEZNQCLSA-N 325.430 1.331 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)Cc2ccnn21 247919421 BZCWZOZGBITCOW-MRXNPFEDSA-N 349.394 1.765 0 40 EDAB C[C@]1(c2ncc(CNS(=O)(=O)c3cccnc3)cn2)CCCCO1 257200280 ACSOERIJBSCUOB-MRXNPFEDSA-N 348.428 1.766 0 40 EDAB COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)[C@H](C)c1cccs1 252492718 MTQRVONNUQEGSV-OPRDCNLKSA-N 333.431 1.495 0 40 EDAB O=C([C@@H]1CCOC1)N1CCOC[C@H]1c1ncnn1-c1ccccc1 252506637 WBVWNLQODSRXKN-HIFRSBDPSA-N 328.372 1.204 0 40 EDAB O=C(O)c1ccccc1-n1cnc(CNC(=O)C2CCOCC2)c1 257286870 PNJVPGPLAACMCQ-UHFFFAOYSA-N 329.356 1.613 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257206999 BFVDLUTWCNUQRA-HOTGVXAUSA-N 325.368 1.282 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)Cc2c(C)noc2C)n1 257207873 BJSRVDTZOADAPM-AWEZNQCLSA-N 332.360 1.238 0 40 EDAB CCn1cc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)cn1 257238914 HNCGPOWBKMURAT-OAHLLOKOSA-N 329.404 1.578 0 40 EDAB COc1cccc(S(=O)(=O)N2CCO[C@H](c3cnc(C)cn3)C2)c1 257261316 LGSHXPHMVPNGNP-INIZCTEOSA-N 349.412 1.556 0 40 EDAB CCCOc1ccc(C(=O)O)cc1NS(=O)(=O)c1cnn(C)c1 267848971 CMKANQAAGWAHMD-UHFFFAOYSA-N 339.373 1.708 0 40 EDAB CCN(CCNC(=O)[C@@H]1CCCCN1C(C)C)c1ccnc(C)n1 1100614107 YXFMVGDTVWDNJW-INIZCTEOSA-N 333.480 1.990 0 40 EDAB Cn1cc(C(C)(C)NC(=O)c2ccc(C(=O)NC3CC3)cc2)nn1 636105791 WMBNZJTZUZJGIC-UHFFFAOYSA-N 327.388 1.372 0 40 EDAB O=C(c1ccns1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 1615589220 ADJLSUYMCDDVCW-ZDUSSCGKSA-N 345.428 1.747 0 40 EDAB C[C@H](NC(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1nnnn1C 1615571358 JRSDOUWPXDKMKM-AAEUAGOBSA-N 348.382 1.663 0 40 EDAB CNc1ccc(S(N)(=O)=O)cc1NC(=O)CC1(OC)CCC1 1615586815 SKGKRKAWYLMIPB-UHFFFAOYSA-N 327.406 1.273 0 40 EDAB Cc1nccn1CCN[C@@H]1C[C@H]2CN(Cc3ccccc3)CCN2C1 1615572625 YLUJNTBHFYBAPE-UXHICEINSA-N 339.487 1.740 0 40 EDAB Cn1cnnc1[C@@H]1CCN(S(=O)(=O)[C@H]2C[C@H]2c2ccccc2)C1 1616001728 MIGVQOQKAMYARH-ILXRZTDVSA-N 332.429 1.490 0 40 EDAB CNC(=O)[C@@H]1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)C1 600688405 HUMLNHDCFAQJRL-YWJPIRHGSA-N 333.476 1.385 0 40 EDAB CCS(=O)(=O)N1CCn2cc(C(=O)NC3CCCC3)nc2[C@@H]1C 585096241 CRLOEPYHVMJGOI-NSHDSACASA-N 340.449 1.282 0 40 EDAB COC(=O)c1ccoc1CN1CCN(c2cncc(OC)c2)CC1 585141875 HGBSWWHODVLANK-UHFFFAOYSA-N 331.372 1.792 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(OCc2cccnc2)cc1 24801315 YDJZGOPIAPAWLC-HNNXBMFYSA-N 346.408 1.578 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 585108547 CAZAPUXTCHYADK-UFYUIRFASA-N 344.411 1.249 0 40 EDAB Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1C[C@H](C)C[C@@H](C)C1 69323217 UULHAUHEMMSOEP-GHMZBOCLSA-N 330.432 1.925 0 40 EDAB CCCc1nc(C)c(C(=O)N(C)C[C@@H]2OCC[C@H]2c2nc[nH]n2)o1 1551461571 RITMWEVSRVDZFA-NEPJUHHUSA-N 333.392 1.698 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)CCCNc2ncccn2)CC1 69929210 BKQZUJOGUJPGIW-OAHLLOKOSA-N 349.479 1.220 0 40 EDAB Cn1c(CN2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)nc2ccccc21 72300820 UNQVBBXOJBDCBE-SGTLLEGYSA-N 341.415 1.383 0 40 EDAB O=C(NC1CC1)C1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 56005621 PJKBWNUEJPBNIQ-UHFFFAOYSA-N 328.412 1.681 0 40 EDAB O=S(=O)(Cc1cccc(Cl)c1)N1CC(Cn2ccnn2)C1 1775986076 SQZOUPDQXSZFEV-UHFFFAOYSA-N 326.809 1.393 0 40 EDAB OCCN(Cc1cnn(Cc2ccccc2)c1)c1ncc(F)cn1 95972396 REFZGOQMYCMUJW-UHFFFAOYSA-N 327.363 1.859 0 40 EDAB O=C([C@@H]1CCc2ccccc2O1)N1CCN(c2ccccn2)C(=O)C1 1565522499 JGSQJEWDQWZBAE-INIZCTEOSA-N 337.379 1.651 0 40 EDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1[C@@H](C)C(=O)N1CCOCC1 75604946 CPMHIHJRIJSDSX-QWHCGFSZSA-N 340.855 1.766 0 40 EDAB CC[C@H](CNC(=O)c1ccc(F)cn1)NC(=O)c1ccc(F)cn1 97107296 RQZSRFMHMNAGCY-GFCCVEGCSA-N 334.326 1.693 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C[C@H]1N1CCOCC1 107323173 VEQKUWILGNOYOK-MZMPZRCHSA-N 348.418 1.698 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78788763 NCMWCCMXHCIELI-SJORKVTESA-N 334.464 1.027 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCC[C@H]1c1noc(C2CC2)n1 84758664 MEQCWBNTMKDKPC-NSHDSACASA-N 327.406 1.435 0 40 EDAB C[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCOCC1 41248121 JMVBXRLSPRNUCE-JTQLQIEISA-N 341.205 1.426 0 40 EDAB COCC(=O)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 12326980 UKRIRFUAFHGJQV-GFCCVEGCSA-N 333.413 1.609 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 12496103 VZGODBFIWOLJDC-HNSFDTNUSA-N 348.374 1.413 0 40 EDAB CC(=O)CC(C)(C)NC(=O)CCN1CCN(c2ccccc2O)CC1 12525035 BRQKEENYSUTURE-UHFFFAOYSA-N 347.459 1.778 0 40 EDAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccccn3)ccc21 13580429 HILRPQQWMJBXAJ-UHFFFAOYSA-N 345.424 1.724 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1 15268272 BLYIQDURRRRRQC-UHFFFAOYSA-N 347.396 1.805 0 40 EDAB O=C(NCc1ccco1)[C@@H]1Cc2[nH]cnc2CN1Cc1cccnc1 15676302 DVHQVSXCMNYEMB-KRWDZBQOSA-N 337.383 1.641 0 40 EDAB biogenic,in-vitro Cc1ncc(C(=O)NC2CC2)c([C@H]2CCCCN2CC(=O)N(C)C)n1 19766948 QMXUBBZZXLNFKB-OAHLLOKOSA-N 345.447 1.292 0 40 EDAB Cc1cnccc1CCNC(=O)N1CCC[C@H]1CN1CCOCC1 163874116 ZTXGRCOKOYHYAF-KRWDZBQOSA-N 332.448 1.439 0 40 EDAB COc1cccc(S(=O)(=O)NCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 387230 OIFNRMAENJOCDO-CHWSQXEVSA-N 340.445 1.478 0 40 EDAB COc1ccc(OCCSCc2cc(=O)n3nc(N)[nH]c3n2)cc1 104085298 YTQQEQSVBPVKJZ-UHFFFAOYSA-N 347.400 1.321 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCN(C[C@@H]3CNC(=O)O3)C2)c(Cl)c1 585087669 DXIXOHVNAWBOHV-RYUDHWBXSA-N 337.807 1.561 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 6078785 SEDBDKHYRAOJAB-YJYMSZOUSA-N 343.427 1.627 0 40 EDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(N)s1 7128519 ZIJNFBRUCUJMRF-QMMMGPOBSA-N 349.441 1.976 0 40 EDAB O=C([C@H]1CN(c2ccc(Br)cn2)CCO1)N1CCCC1 1888844532 FPUWIQRNNFAHRI-GFCCVEGCSA-N 340.221 1.672 0 40 EDAB Cc1nc(C(F)F)cc(N2CCN(c3ncnc4[nH]cnc34)CC2)n1 1888879534 KGHNXMMHXRKLNX-UHFFFAOYSA-N 346.345 1.716 0 40 EDAB Cc1cc(F)cnc1C(=O)NCc1ccnc(N2CCOCC2)c1 1889115699 MCEWDIUCAQWXGK-UHFFFAOYSA-N 330.363 1.691 0 40 EDAB COc1nc(OC)nc(N2CCC(COc3ccnc(C)c3)CC2)n1 1889125140 NDCUOBFPPKRMHU-UHFFFAOYSA-N 345.403 1.888 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNc1cn[nH]c(=O)c1Cl 22137854 IKGDZUNZQPRUJM-UHFFFAOYSA-N 342.808 1.286 0 40 EDAB CCN=c1cc(C)nc(N2CCN(CC3(O)CCCCC3)CC2)[nH]1 2087130947 HARWDOUBEGQGKJ-UHFFFAOYSA-N 333.480 1.456 0 40 EDAB COc1ccccc1NC(=O)Cn1nc(C(F)(F)F)n(N)c1=S 1075665 YQFYULBNYYXVHF-UHFFFAOYSA-N 347.322 1.794 0 40 EDAB O=C(NCC1CC1)[C@H]1CCc2c(C(=O)N3CCCCCC3)ncn2C1 2055771931 KJOQTTHFPLUOQK-HNNXBMFYSA-N 344.459 1.988 0 40 EDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)c2ccccc2F)CC1 2055772608 CBPQUJLQVQDEBI-UHFFFAOYSA-N 344.390 1.742 0 40 EDAB CC(C)[C@@H](Cn1cncn1)NC(=O)c1cnn(-c2ccccc2)n1 575617575 UWLJCLBVXBQGND-OAHLLOKOSA-N 325.376 1.313 0 40 EDAB COC(=O)c1cnc(NC(=O)[C@H](C)n2nc(C3CC3)ccc2=O)s1 585149957 NIFXJIGOJRGFSB-QMMMGPOBSA-N 348.384 1.564 0 40 EDAB Cc1nc(NCc2nc(-c3cnn(C)c3)no2)c2cnn(C)c2n1 575616220 IZLHJMMHENSSAY-UHFFFAOYSA-N 325.336 1.067 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19333383 VZWPEKLIYYBREM-CQSZACIVSA-N 340.402 1.820 0 40 EDAB CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 103551902 QXFCTOBKVYIMJD-NEPJUHHUSA-N 336.413 1.086 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1Cl 30288470 YPQSLIGORLTZSV-UHFFFAOYSA-N 332.809 1.201 0 40 EDAB COc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1 30584129 XVGWAVFNOWLYCC-ZDUSSCGKSA-N 326.418 1.239 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)Nc2c(F)cccc2F)cn1C 31665863 AMNSCYGMIIZOPL-UHFFFAOYSA-N 329.328 1.464 0 40 EDAB CCc1ccc(CNC(=O)C2CCN(S(=O)(=O)CC)CC2)s1 40538910 PREZVOKAXWSFSF-UHFFFAOYSA-N 344.502 1.988 0 40 EDAB CNc1snc(C)c1C(=O)NC[C@H](C)N1C[C@@H](C)O[C@H](C)C1 40512367 NAOIRFABDUNPPT-HBNTYKKESA-N 326.466 1.721 0 40 EDAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1C(=O)CNC1=O 32721423 PXFXDYIZVWNZPG-UHFFFAOYSA-N 345.443 1.811 0 40 EDAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)NCc1ccco1 52568645 LQEAXKUFSVMBBS-GFCCVEGCSA-N 344.371 1.222 0 40 EDAB O=C(NCc1cccs1)c1cccc(CN2C(=O)CNC2=O)c1 32900982 CDACBDKVSYSQOR-UHFFFAOYSA-N 329.381 1.730 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)c2ccc(N3CCCC3)nn2)no1 72299129 YCHXRCDREGGYOF-ZDUSSCGKSA-N 342.403 2.000 0 40 EDAB O=C1NC(=O)c2c3ccc(c21)CCc1ccc(c2c1C(=O)NC2=O)CC3 1570575 CTPCYSBYYHESBJ-UHFFFAOYSA-N 346.342 1.338 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@H](C)C(=O)Nc3ncc(C)s3)CCO2)n1 78879743 OVEHWWRENJLBOT-KOLCDFICSA-N 336.421 1.279 0 40 EDAB CCc1cnc(CN(C)[C@@H]2CCN(CC(=O)Nc3cc(C)no3)C2)o1 78891903 SVRLJWHBMSPMBE-CYBMUJFWSA-N 347.419 1.678 0 40 EDAB C[C@@](O)(CNC(=O)NCC[S@](=O)c1ccccc1)c1ccco1 78942118 YKEQSSJOEPZLRK-WAIKUNEKSA-N 336.413 1.594 0 40 EDAB O=C(COC(=O)CNC(=O)c1ccccc1)NCc1ccccc1 2624530 IQSPFMKIOJYYMV-UHFFFAOYSA-N 326.352 1.276 0 40 EDAB CC(=O)C[C@@H]1C[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](C(C)=O)[C@@H]1C(C)=O 3852628 XLWBUYJUDZPCSS-RQJABVFESA-N 344.371 1.070 0 40 EDAB Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 72300216 JGMNOUIJQWIPPA-OAHLLOKOSA-N 347.440 1.980 0 40 EDAB O=C(NCc1ccc(N2CCCC2)nc1)c1ccnc(-n2cncn2)c1 54675865 LQSYALPERURCRU-UHFFFAOYSA-N 349.398 1.588 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)c3ccccc32)C1 24602518 OQPUHQZTHCPMSP-DZGCQCFKSA-N 344.411 1.938 0 40 EDAB O=C(CCNC(=O)c1ccc2ccccc2c1)Nn1cnnc1S 24665413 BJMPJBOIZMXGNT-UHFFFAOYSA-N 341.396 1.610 0 40 EDAB C[C@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2ccccc2)CC1 43302092 LVRFFFUWHAWFDJ-MRXNPFEDSA-N 329.444 1.845 0 40 EDAB Cc1cc(CN(C)C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)no1 25138038 UDPFNTARZTVATJ-GFCCVEGCSA-N 329.356 1.756 0 40 EDAB Cc1cc(NC(=O)NC[C@@H](c2cccs2)N2CCOCC2)n(C)n1 43435294 LUOZHWNBQHENST-ZDUSSCGKSA-N 349.460 1.985 0 40 EDAB O=C(C1=NO[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1cccs1 100354896 JYZNJESGLCRSBP-FZMZJTMJSA-N 326.333 1.875 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](CC(N)=O)C2)cc1 72309380 KPIFDZBUHRPJFY-MRZGDXHCSA-N 329.400 1.173 0 40 EDAB Cc1cnn(-c2ccc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cc2)c1 44478524 LQXUANDCXVPMRT-CYBMUJFWSA-N 333.413 1.345 0 40 EDAB O=C(CN1CCC[C@@H]1C(=O)NCc1ccco1)Nc1ccccc1 27141263 VCSFAXKZOJXATB-MRXNPFEDSA-N 327.384 1.999 0 40 EDAB O=C(NCC1(c2ccc(F)cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 48290815 WFZFQCCDZLYEML-CYBMUJFWSA-N 326.393 1.344 0 40 EDAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc(C)n2)n1 27666348 IQEPNQAVLPZOLC-UHFFFAOYSA-N 340.792 1.879 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n(C)n1 58218222 AFOCYQBXYWSVEE-UHFFFAOYSA-N 345.378 1.858 0 40 EDAB CCN1C[C@@H](C(=O)NCc2cccnc2OCC(F)(F)F)CC1=O 44912845 OVGWQOBFKJXSQD-NSHDSACASA-N 345.321 1.507 0 40 EDAB Cc1nc(C(C)(C)C)sc1C(=O)NCCCN(C)S(C)(=O)=O 58357098 HWPOLDVOYDHRME-UHFFFAOYSA-N 347.506 1.760 0 40 EDAB CCOc1cccc(C(=O)NCCC(=O)NCc2ccncc2)c1 58380265 CHDVNOIPLYPGQC-UHFFFAOYSA-N 327.384 1.917 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 28064313 FGMQAHMFXLXNOP-GFCCVEGCSA-N 335.429 1.374 0 40 EDAB Cc1csc(=O)n1CCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 28016868 PNUJHZCLIPJJGZ-CQSZACIVSA-N 341.477 1.081 0 40 EDAB Cc1noc(COc2nc3ccccc3nc2N2CCOCC2)n1 48314453 AKVBDBJZNPEZFD-UHFFFAOYSA-N 327.344 1.737 0 40 EDAB Cn1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 36618971 VQCGRMYVRRZMBI-UHFFFAOYSA-N 337.318 1.916 0 40 EDAB CC[C@H](CNC(=O)CCn1cncn1)N1CCc2ccccc2C1 46246524 UWWOTRHFWNVEAV-QGZVFWFLSA-N 327.432 1.621 0 40 EDAB O=C(CN1CCC[C@H](c2nc3ccccc3o2)C1)N1CCNC1=O 29825920 PGAQYXWTOZRUTH-LBPRGKRZSA-N 328.372 1.559 0 40 EDAB Cc1ccc(CN(C)CC(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)c1 12998714 JPTJSBGHOHVBRJ-QGZVFWFLSA-N 338.473 1.429 0 40 EDAB Cc1c(C(=O)NCc2cncnc2N)cnn1-c1ccc(F)cc1 84044835 LXMALMCCEAJTQS-UHFFFAOYSA-N 326.335 1.622 0 40 EDAB CC(C)Cc1noc(C[S@](=O)CC(=O)NCc2cccs2)n1 64813230 XTYVVMIAJHFYHF-QFIPXVFZSA-N 341.458 1.895 0 40 EDAB Cn1ncc2c(=O)[nH]c(CN(Cc3ccco3)C[C@@H]3CCCO3)nc21 65414057 MPWGMZZDJNLAHF-ZDUSSCGKSA-N 343.387 1.431 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)C1=NN(c2ccccc2)C(=O)CC1 65440341 FDCOLFOEAPSXKK-AWEZNQCLSA-N 344.415 1.006 0 40 EDAB Cc1cc(C(=O)CN2CCC(NS(C)(=O)=O)CC2)c(C)s1 14094203 NTPDOEMZLIOISQ-UHFFFAOYSA-N 330.475 1.561 0 40 EDAB COc1ccc([C@@H]2CCCCCN2C(=O)CN2C(=O)CNC2=O)cc1 65551522 DTCSGKLDZKIOFV-HNNXBMFYSA-N 345.399 1.691 0 40 EDAB COc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4512395 QBIXQUUWHHOLLI-NTVBXYNLSA-N 345.351 1.375 0 40 EDAB Cn1nc(C(=O)O[C@@H](C(N)=O)c2ccccc2)c2ccccc2c1=O 14731902 RPRAEEFLVRQNAU-OAHLLOKOSA-N 337.335 1.317 0 40 EDAB COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccnc1OC 66581199 NZQKIHIYQFOBLC-UHFFFAOYSA-N 340.332 1.817 0 40 EDAB CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(OC)cc1 408710102 ORXHJKZHLQQCHL-UHFFFAOYSA-N 341.367 1.310 0 40 EDAB C[C@@H](SCc1ccc(F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 9479613 UNOUSUFOAYTZIA-ZWNOBZJWSA-N 331.434 1.751 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)NCc3ccccn3)CC2=O)c1 7452112 ZQADHSXLLDFTRS-ZDUSSCGKSA-N 325.368 1.760 0 40 EDAB COc1ccc(OCCNC(=O)c2nc3nccc(C)n3n2)cc1 9484494 RVOUDFXDBWIBSS-UHFFFAOYSA-N 327.344 1.250 0 40 EDAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc[n+]([O-])cc1 7681968 BTXFXVGMRUTOPZ-UHFFFAOYSA-N 336.731 1.778 0 40 EDAB C[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NCc1ccc(F)cc1 7776251 NOVHULYPIQTQKM-SECBINFHSA-N 336.392 1.842 0 40 EDAB O=C1CN(C(=O)Cn2cnc3ccsc3c2=O)c2ccccc2N1 16331311 GAIBZRUVYPMDBZ-UHFFFAOYSA-N 340.364 1.443 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1S(N)(=O)=O 8110904 YDKWLFHNNDOYPU-UHFFFAOYSA-N 344.389 1.582 0 40 EDAB C[C@H]1CN(C2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H](C)O1 19868158 WSDALVGVMYXOLO-GJZGRUSLSA-N 338.473 1.949 0 40 EDAB O=C1C[C@]2(CCSC2)C(=O)N1C[C@H](O)COCc1ccccc1 69159019 BSWZSUQSTPPKNB-YOEHRIQHSA-N 335.425 1.446 0 40 EDAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)C1 110617166 FTBSGHCCYDCLDL-XMTFNYHQSA-N 345.487 1.578 0 40 EDAB O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCCc1ccc(F)cc1 69376575 LNQXKCXFDLBZMU-QGZVFWFLSA-N 346.406 1.082 0 40 EDAB Cc1cccc(NC(=O)[C@H]2CSCN2S(=O)(=O)N(C)C)c1 69456084 YATMTWAQYIFFMA-GFCCVEGCSA-N 329.447 1.115 0 40 EDAB Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc3c(c2)OCCO3)c1 69512324 JMOZYLXBFXEBDL-UHFFFAOYSA-N 341.367 1.872 0 40 EDAB O=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)NCC(F)(F)F 69625323 BNABGDMONDTZCL-AWEZNQCLSA-N 345.365 1.016 0 40 EDAB Cc1cc(C(=O)Nc2nnn[nH]2)ccc1I 71803286 VGPWJXDHKHDSEF-UHFFFAOYSA-N 329.101 1.365 0 40 EDAB COc1ccc(OCCCN2CCC[C@@H](N3CCNC3=O)C2)cc1 71830573 IEBMWUISLJIATO-OAHLLOKOSA-N 333.432 1.954 0 40 EDAB Cc1cc2nc(O)c(C(=O)N3CCCC[C@@H]3Cn3cccn3)cn2n1 71865411 WBVRCWAZCMLUBE-CYBMUJFWSA-N 340.387 1.635 0 40 EDAB CC(C)(C)N1CCN(C(=O)C2CCN(c3ncccn3)CC2)CC1 71818518 RMUXOQHMWSJELZ-UHFFFAOYSA-N 331.464 1.636 0 40 EDAB CCCC1CCC(NS(=O)(=O)C2CCS(=O)(=O)CC2)CC1 69950012 IEFRIRMFZZZLGO-UHFFFAOYSA-N 337.507 1.842 0 40 EDAB CCc1nnsc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69952113 ZSCROYLZSPOSOW-OAHLLOKOSA-N 346.456 1.592 0 40 EDAB C[C@H](NC(=O)Cn1ccc2cc(Br)ccc21)C(=O)O 70666340 LJKFNOVYYACCFK-QMMMGPOBSA-N 325.162 1.993 0 40 EDAB biogenic CCO[C@@H]1CCCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 71825555 AZMLHACVZZYEEM-CYBMUJFWSA-N 337.420 1.269 0 40 EDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc2c(c1)CCN2C(C)=O 26901660 AJTNANMWGJAEDT-BONVTDFDSA-N 332.404 1.617 0 40 EDAB CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 19920642 IVMIBJIEYGNNOD-CYBMUJFWSA-N 335.835 1.857 0 40 EDAB CCn1ccnc1CN1CC[C@@H](N(Cc2ncc(C)o2)C(C)=O)C1 83843615 FVWLCPNUPYGXRV-OAHLLOKOSA-N 331.420 1.822 0 40 EDAB CC[C@H](C)[C@@](C)(O)CNC(=O)CCN1C(=O)c2ccccc2C1=O 71916756 GQJQAYNESMAKSN-SGTLLEGYSA-N 332.400 1.586 0 40 EDAB CN1CCC[C@@H](N2CCN(CCC(=O)Nc3ccccc3)CC2)C1 71909041 COZDHFKPKHNAFI-GOSISDBHSA-N 330.476 1.727 0 40 EDAB Cn1cccc1C(=O)NC(=O)Cn1nnc(-c2cccc(Cl)c2)n1 9725331 RJLKJZNPJFQFKJ-UHFFFAOYSA-N 344.762 1.289 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)CCn2cncn2)C1=O 95398145 CKUGJXYVWGLZTQ-AWEZNQCLSA-N 345.378 1.428 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)c1ccc(Br)cc1 95394952 MNCCHICOLURGDN-SKDRFNHKSA-N 346.246 1.995 0 40 EDAB CC(C)(C)[C@@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)O 95424671 RDZAYPLDQZSLLT-AWEZNQCLSA-N 347.346 1.601 0 40 EDAB CS(=O)(=O)CCN(CCC(=O)Nc1cccc(F)c1)C1CC1 95435427 QDVDMPINAWDMGN-UHFFFAOYSA-N 328.409 1.663 0 40 EDAB O=C(O)CCNC(=O)c1nc(NCCc2ccccc2)ncc1Cl 95424250 MZXOKIOBSMPZLE-UHFFFAOYSA-N 348.790 1.989 0 40 EDAB CN(C)c1cccc(CNC(=O)NCc2noc(C(C)(C)C)n2)n1 95437679 OONCJPDSNDARDQ-UHFFFAOYSA-N 332.408 1.828 0 40 EDAB C[C@@H]1CN(c2ccccc2CN[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 88670544 BCJGXYVAENQNNF-IIAWOOMASA-N 338.473 1.577 0 40 EDAB 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COc1ccc(N2C[C@H](C(=O)NN3CCCCC3)CC2=O)c(OC)c1 8395295 NVQKVURCOOHIGC-CYBMUJFWSA-N 347.415 1.574 0 40 EDAB COC(=O)[C@](NC(C)=O)(Nc1ccc(Cl)cn1)C(F)(F)F 19831588 JYANCGHVWJETEK-JTQLQIEISA-N 325.674 1.715 0 40 EDAB CC(=O)N[C@H](CC(=O)NCCCC(N)=O)c1ccc(Cl)cc1 42925827 HDORUCQHQYRTMX-CYBMUJFWSA-N 325.796 1.289 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1 55037090 BMMJDZCXEDEXJI-WPRPVWTQSA-N 343.836 1.925 0 40 EDAB O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1c(Cl)cccc1Cl 1282716 VHPZTXNXRZNEPT-UHFFFAOYSA-N 347.183 1.496 0 40 EDAB C[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)n1cccn1 106566681 MFGBRBCHTOVXLM-KFWWJZLASA-N 343.431 1.769 0 40 EDAB Cc1cc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)n(C)n1 43435182 ZAYWRPQJSFBEBH-MRXNPFEDSA-N 343.431 1.751 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccccc2O)CC1)C1CCCCC1 23078562 QTGMIBQJZALMMP-UHFFFAOYSA-N 345.443 1.737 0 40 EDAB C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCNC2=O)CCN1Cc1ccccc1 107511470 JQVBFFXWAWHTCZ-OIISXLGYSA-N 344.459 1.617 0 40 EDAB COc1ccc2[nH]c(C)c(C(=O)CN3CCC(C(N)=O)CC3)c2c1 57063771 FUUSSNRNGPIJPA-UHFFFAOYSA-N 329.400 1.865 0 40 EDAB CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4OC)C(=O)[C@H]13)O2 102094875 RLIPVWRVUCZGPJ-YRBFXIGRSA-N 329.352 1.545 0 40 EDAB C[C@]1(n2cc(C(=O)c3cc(F)ccc3O)cn2)CCS(=O)(=O)C1 48287623 DXMXPMOARMFVLL-HNNXBMFYSA-N 338.360 1.493 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1=NO[C@@H](c2ccccc2)C1 84525316 LEUMKWWSIKQGPS-BFYDXBDKSA-N 329.400 1.483 0 40 EDAB CS(=O)(=O)c1ccc(F)c(NCC(=O)NCc2ccco2)c1 26790661 IBNAPAIGGCHSGB-UHFFFAOYSA-N 326.349 1.551 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)cn1C 26767906 ULCGWIOIMFKRKS-HNNXBMFYSA-N 347.440 1.911 0 40 EDAB C[C@@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]3(O4)[C@H]12 101526142 RQULTYIEQUNDLH-LPCXMXLYSA-N 343.335 1.165 0 40 EDAB CCS[C@@H]1CC[C@H](NCc2cnc(N3CCN(C)CC3)nc2)C1 95416695 ZIUFRCGEGFNYNZ-JKSUJKDBSA-N 335.521 1.992 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 3385638 RXLBCJSKWQSJNZ-KRWDZBQOSA-N 345.355 1.117 0 40 EDAB C[C@@H]1CCc2ccccc2N1C(=O)[C@@H](C)S(=O)(=O)c1ncc[nH]1 95425630 WSENXTRNRNJSPS-VXGBXAGGSA-N 333.413 1.940 0 40 EDAB CNC(=O)c1nsc(C(=O)N2CCN(c3ccccc3)CC2)c1N 62006750 YGGIZNDQNRPATI-UHFFFAOYSA-N 345.428 1.047 0 40 EDAB CN1CCO[C@@H](CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 58111285 OZRUBEOYKKKUBL-VIFPVBQESA-N 339.244 1.602 0 40 EDAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 44873281 NHVLIYZEYBSPGW-OAHLLOKOSA-N 336.457 1.202 0 40 EDAB CC(C)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 44871632 CKECTIOXJKIKNO-UHFFFAOYSA-N 326.418 1.173 0 40 EDAB CN(CC(=O)NCC(C)(C)c1ccc2c(c1)OCO2)c1cnccn1 58290485 QRWFXPATSQDZNU-UHFFFAOYSA-N 342.399 1.736 0 40 EDAB C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)N2CCCCCC2)C1=O 58209099 CWKJHGCCVJYPRU-SFHVURJKSA-N 347.390 1.995 0 40 EDAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)CCNC(=O)[C@H]1C[C@H]1C 58245387 QKSILMAXTRHYMQ-MFKMUULPSA-N 327.388 1.881 0 40 EDAB CS(=O)(=O)NCCN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 95432367 XBOBPLOWVFSHJN-GJZGRUSLSA-N 330.425 1.263 0 40 EDAB Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 27766258 LJMAWSJMXOHKCX-GFCCVEGCSA-N 336.417 1.446 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NCc1ccc(S(C)(=O)=O)cc1 48342615 JKBWQMSJPQTOBY-LBPRGKRZSA-N 336.417 1.175 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C(=O)c1cnn(-c2ccccc2)c1)C1CC1 69841165 DPAQRVJBPKCLKK-CYBMUJFWSA-N 347.440 1.910 0 40 EDAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCc3ccco3)cc2)o1 44901764 GDJARMJXXIKPKS-UHFFFAOYSA-N 326.312 1.893 0 40 EDAB CN1CCO[C@H](CNC(=O)c2cccc(OCc3cccnc3)c2)C1 58364043 GTJFYWKZLJWFCD-GOSISDBHSA-N 341.411 1.721 0 40 EDAB O=C(CN1CCC2(CCCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 58356679 CEMBLAIRSMNYSZ-CQSZACIVSA-N 328.478 1.336 0 40 EDAB C[C@H](C(=O)NC(N)=O)N(C)CCCc1cc(-c2ccccc2)no1 58332067 UZVAHMCVXHZZOP-GFCCVEGCSA-N 330.388 1.789 0 40 EDAB COCCN1CCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 58403274 WRWPZNZEMSJLHS-QGZVFWFLSA-N 335.423 1.409 0 40 EDAB COCCc1noc(CN(C)[C@H]2CCCN(c3cccnn3)C2)n1 69848125 XUFGLIXOPXNIGI-ZDUSSCGKSA-N 332.408 1.149 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 28687815 AMICNTSJCCEHRZ-CEOUIICOSA-N 345.418 1.650 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C[C@@H](C)O1 28700149 BJZDYUSDRGNJKO-ZIAGYGMSSA-N 327.384 1.541 0 40 EDAB CN(Cc1ccc(Cl)s1)C(=O)NC1CCN(CC(N)=O)CC1 45608397 NJBUNGAICYOTPY-UHFFFAOYSA-N 344.868 1.493 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1C 11565982 JUHGEYVTISMUKU-UHFFFAOYSA-N 326.418 1.165 0 40 EDAB COC(=O)c1ccccc1-n1ncc(NC[C@@H](C)O)c(Cl)c1=O 29247603 XRKLKAAJDZFGJO-SECBINFHSA-N 337.763 1.465 0 40 EDAB COCCN1CCCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 48428562 OATPKBKHCGOSLZ-UHFFFAOYSA-N 347.415 1.165 0 40 EDAB Cc1ccccc1CNC(=O)CN[C@H]1CCCN(c2cccnn2)C1 69930045 AXMLCOIZOYTISL-KRWDZBQOSA-N 339.443 1.660 0 40 EDAB COc1cccc(CS(=O)(=O)[C@H](C)C(=O)Nc2cc(C)on2)c1 46140537 CEWWOGKCIMZORN-LLVKDONJSA-N 338.385 1.934 0 40 EDAB CC(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3cncn3)nc2)C1 46196720 ONBJNPPEFFSMKW-ZDUSSCGKSA-N 342.403 1.495 0 40 EDAB C[C@H](CNC(=O)N(C)Cc1ccc2c(c1)OCCO2)N1CCOCC1 46260398 CRYAROQDTUGLHQ-CQSZACIVSA-N 349.431 1.320 0 40 EDAB O=C1c2ccccc2C(=O)N1CCCn1nnn(-c2ccccc2)c1=O 29745285 LKZOQFKXQOTEJX-UHFFFAOYSA-N 349.350 1.115 0 40 EDAB COc1ccc(CCNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 13548906 VJZRVOHGBFXHPM-UHFFFAOYSA-N 337.379 1.833 0 40 EDAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCCC1 6112252 IRFGGVLZKKXGME-UHFFFAOYSA-N 336.189 1.781 0 40 EDAB COc1ccccc1C1(C(=O)NCCN2CCOCC2)CCOCC1 65412526 PFRDIKARBIFSNK-UHFFFAOYSA-N 348.443 1.192 0 40 EDAB COC(=O)CNC(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 14020881 YIMPHARNSPENEL-UHFFFAOYSA-N 342.351 1.850 0 40 EDAB CN1CCN(C(=O)NCCNc2cnccn2)[C@@H](c2ccccc2)C1 65565416 PNOBHDHXBBWCSJ-MRXNPFEDSA-N 340.431 1.587 0 40 EDAB CC[C@@H]1CN(C(=O)c2csc(COC)n2)C[C@@H]1N1CCOCC1 84736146 HEJGOYIJHPQXHX-OCCSQVGLSA-N 339.461 1.472 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 65611172 YBDGZWINSHRFLI-OAHLLOKOSA-N 334.445 1.386 0 40 EDAB CCN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(F)cc1 4511236 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40 EDAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCO[C@H](Cn2cccn2)C1 69451450 UORACEROORUDQU-WMZOPIPTSA-N 342.443 1.804 0 40 EDAB COc1ccc2c(c1)CCC[C@H]2NC(=O)C1CCN(CC(N)=O)CC1 91550716 GZDFAORHKZAADR-QGZVFWFLSA-N 345.443 1.386 0 40 EDAB C[C@H](OC(=O)c1cccc2c1O[C@H](C)[C@H]2C)C(=O)N1CCNC1=O 8484643 YZJZRHAYHMHRDY-MXWKQRLJSA-N 332.356 1.668 0 40 EDAB COc1ccc(NC(=O)C(=O)NCc2cn3c(n2)CCCC3)cc1 69561253 WOEFGLJDBZPTNK-UHFFFAOYSA-N 328.372 1.483 0 40 EDAB CC(C)[C@H](NC(=O)CCCNC(=O)C1CC1)c1nnc2ccccn12 69588417 BFJJORDJPBJWIN-INIZCTEOSA-N 343.431 1.849 0 40 EDAB O=C([C@@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1)N1CCCCC1 69561456 FJLVGUZYFVPCOA-AEFFLSMTSA-N 339.443 1.936 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)NCc1cnc(N(C)C)n1C 69659535 BFMOWPXFAKGWTM-UHFFFAOYSA-N 342.852 1.926 0 40 EDAB Cc1n[nH]c2ncc(C(=O)N3CCc4nnc(N(C)C)cc4C3)cc12 71860216 DRJHFHLYBQCLSK-UHFFFAOYSA-N 337.387 1.321 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCCN(C(=O)c2ccncc2)CC1 71811828 BGWLROQQBDTWDW-KRWDZBQOSA-N 338.411 1.456 0 40 EDAB COc1cc2nc(CN(C)C[C@H]3CCCCO3)[nH]c(=O)c2cc1OC 71821815 CDDNFDSPOJRWSP-GFCCVEGCSA-N 347.415 1.941 0 40 EDAB Cc1csc2nc(CN3CCCC[C@@H]3Cn3cncn3)cc(=O)n12 71876133 MNAVDDWBVPFDKB-CQSZACIVSA-N 344.444 1.711 0 40 EDAB CCCN1CCC(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)CC1 71920341 URABFMXWYXJHNI-UHFFFAOYSA-N 331.416 1.818 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 71903531 NVBLPAQTAUPSEI-DOMZBBRYSA-N 347.415 1.436 0 40 EDAB O=C(NCCNC(=O)c1cc(F)c(F)c(F)c1F)c1ccn[nH]1 97079924 QCPIVADAPDMTJA-UHFFFAOYSA-N 330.241 1.126 0 40 EDAB CC(C)c1nnc2n1C[C@H](NC(=O)[C@@H]1CC(=O)N(CC3CC3)C1)CC2 65536242 SNQIHSJIGZDCJI-ZIAGYGMSSA-N 345.447 1.091 0 40 EDAB Cn1cc(CN2CCN(C(=O)CN3CCCC3)CC2)c(C(C)(C)C)n1 97033920 OMZGVEJDDDKBKO-UHFFFAOYSA-N 347.507 1.458 0 40 EDAB C[C@H](NC(=O)NCc1ccc2c(c1)OCCCO2)C(=O)NC(C)(C)C 72274311 OZMNWOALVDVXTA-LBPRGKRZSA-N 349.431 1.950 0 40 EDAB CC(C)c1nc([C@@H]2CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)no1 72232120 QMNNIOUESFASOS-GHMZBOCLSA-N 329.422 1.332 0 40 EDAB O=C(CN1C(=O)CCCc2sccc21)N[C@H]1CCc2nccn2C1 72270504 MHJNWNQLBFPSSQ-LBPRGKRZSA-N 344.440 1.745 0 40 EDAB O=C(NC[C@H](O)Cc1ccc(F)cc1F)c1cnn2c1CCCC2 97136751 FPJOPLNLPRRZOE-CYBMUJFWSA-N 335.354 1.831 0 40 EDAB Cc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](C)c1ncc(C)s1)CC2 97110563 IWRANHMDPFTQTH-CABZTGNLSA-N 334.449 1.769 0 40 EDAB CCCNC(=O)CCC(=O)N1CCC(c2n[nH]c(C3CC3)n2)CC1 95957368 UNICQNIJIUQDSM-UHFFFAOYSA-N 333.436 1.695 0 40 EDAB CC(C)Cc1nnc(NCc2cnc(N3CCN(C)CC3)nc2)s1 95992277 GRFWVCXSLPTFLK-UHFFFAOYSA-N 347.492 1.891 0 40 EDAB CC(C)(C)c1n[nH]cc1CN1CCC[C@H](C(=O)N2CCOCC2)C1 95982413 KIZVXNXYNBNHIY-AWEZNQCLSA-N 334.464 1.778 0 40 EDAB Cc1ccc(CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)cn1 95999975 CMGREQKAACJSOE-UHFFFAOYSA-N 345.424 1.334 0 40 EDAB Cc1c([C@H](C)NC(=O)[C@@H]2CNC(=O)N2)cnn1-c1ccc(F)cc1 89544905 KMOZKIIXRSDZBD-XPTSAGLGSA-N 331.351 1.178 0 40 EDAB Cc1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)c(=O)[nH]1 75121140 OSQHJIUMKIAKBI-UHFFFAOYSA-N 340.305 1.939 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)NCCc2nc3c(F)cccc3n2C)cn1 75136634 OBKBRBAHMYRFTR-CHWSQXEVSA-N 341.390 1.908 0 40 EDAB Cn1nccc1CNC(=O)NCCOc1ccc(C(F)(F)F)cn1 89741126 XDUPCTXSQPAOEC-UHFFFAOYSA-N 343.309 1.712 0 40 EDAB Cn1cncc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 306134645 NUFJAVPSRDKKEY-FUHWJXTLSA-N 332.448 1.271 0 40 EDAB CC(C)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709214 PVIFGJMQTBBLNT-UHFFFAOYSA-N 343.383 1.920 0 40 EDAB O=C1CN(S(=O)(=O)c2cccs2)C[C@H]2c3ccccc3CCN12 36071100 JFTFWVCXEVBQEY-AWEZNQCLSA-N 348.449 1.878 0 40 EDAB CN(C)CCNC(=O)C(=O)Nc1cc(Br)ccc1F 77761637 HCIDREQPEAWZST-UHFFFAOYSA-N 332.173 1.205 0 40 EDAB CCCN1CCC(N2CCN(C(=O)CC3(O)CCCC3)CC2)CC1 73613243 WQWYRGSIYJGHPH-UHFFFAOYSA-N 337.508 1.700 0 40 EDAB NC(=O)[C@H]1CC(C(=O)NOCc2ccccc2)=NN1c1ccccc1 30856823 NWFWIRWLUGHMHV-MRXNPFEDSA-N 338.367 1.355 0 40 EDAB Cc1cc([C@@H](O)CNC(=O)C(=O)Nc2ccc(F)cc2F)c(C)o1 1565520054 BXPRERQNCPKXMS-AWEZNQCLSA-N 338.310 1.963 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2c(C)nc3ccc(C)cn23)CC1 71468792 USZQVYRCFCWIPR-UHFFFAOYSA-N 330.388 1.865 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1F 72241620 CMYADKCALXYLPW-IRXDYDNUSA-N 343.358 1.435 0 40 EDAB O=S(=O)(C1CC1)N1CCCN(Cc2cc(F)ccc2F)CC1 374845519 WSPJXMVJMSAWDC-UHFFFAOYSA-N 330.400 1.965 0 40 EDAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1nnc2n1CCN(C)C2 72373995 XVYKWZYBKCZKDA-LBPRGKRZSA-N 346.460 1.856 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@H](O)c2c(F)cccc2F)C1 221335601 MMGORMGZIPUUGB-GYSYKLTISA-N 348.415 1.811 0 40 EDAB CSCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1F 75157623 QUBLQCPNWYYNNU-CQSZACIVSA-N 332.372 1.524 0 40 EDAB CN1CCN(c2cccc(C(=O)Nc3ccc4cc[nH]c4n3)n2)CC1 570796925 RPBRPAYHJOIMJW-UHFFFAOYSA-N 336.399 1.962 0 40 EDAB NC(=O)c1ccc(F)c(NC(=O)N2CCN(c3ccccn3)CC2)c1 47874214 VLNROJNBRYPDOP-UHFFFAOYSA-N 343.362 1.674 0 40 EDAB COc1cccc(COCCNC(=O)N[C@H]2C(=O)NCC[C@H]2C)c1 225653695 QAJTVXJRJBLCPL-IUODEOHRSA-N 335.404 1.036 0 40 EDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 43945171 HOVOKSPEVLNJBD-GFCCVEGCSA-N 349.818 1.335 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1csc(Cc2ccccc2)n1 195578135 CCWLJBDMNXJLCS-GJZGRUSLSA-N 332.425 1.842 0 40 EDAB CCOc1ccc(NC(=O)[C@@]2(C)CCCN(C)S2(=O)=O)cc1 225952741 HAHFDHWRVKBYTF-OAHLLOKOSA-N 326.418 1.838 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](OCC1CCOCC1)CO2 96206831 YGDFEBDYZYFYLV-HNNXBMFYSA-N 347.477 1.403 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)o1 96049167 CCMOMTPJSRQNOM-SFHVURJKSA-N 342.399 1.890 0 40 EDAB O=C(N[C@H]1COCCC12CCN(Cc1ccccn1)CC2)C1CC1 96209732 KWUFQFYXEDFBOJ-KRWDZBQOSA-N 329.444 1.979 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)CO[C@H](COCc1ccccn1)C2 96106189 BIRBZHMIFHHTTG-HNNXBMFYSA-N 340.445 1.429 0 40 EDAB CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cccnc3)CC[C@@H]21 96185700 SHWATBNOTIHADW-QYZOEREBSA-N 339.443 1.790 0 40 EDAB COCC(=O)NC[C@]12COC[C@H]1CN(Cc1cc(C)ccc1C)C2 96108409 SNSRMTRFGFILQD-MJGOQNOKSA-N 332.444 1.514 0 40 EDAB O=C([C@@H]1COC[C@H]2CN(Cc3ccccc3F)C[C@@H]12)N1CCCO1 96038654 ZSESSQGACVVVLJ-BZUAXINKSA-N 334.391 1.684 0 40 EDAB COC(=O)[C@@H](C)CS(=O)(=O)N[C@H]1CCCc2ccc(F)cc21 93049069 QZUZKXDJHDEOEU-HZMBPMFUSA-N 329.393 1.932 0 40 EDAB CC(C)Nc1nc2c(c(NC(C)C)n1)CCN(S(C)(=O)=O)CC2 96254637 QBXCRNBTUPYHTF-UHFFFAOYSA-N 341.481 1.477 0 40 EDAB CCn1ccc(NC(=O)c2nn(C)c(OC)c2Br)n1 96181017 MGIVBYUOSYVVOZ-UHFFFAOYSA-N 328.170 1.660 0 40 EDAB CS(=O)(=O)[C@H]1CCN(C(=O)NCCc2ccc3ccccc3n2)C1 331680915 QZCAOTXIJADBQH-HNNXBMFYSA-N 347.440 1.606 0 40 EDAB COCCC(=O)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 96200813 IOOCRAYJLHRSQS-MSOLQXFVSA-N 332.444 1.567 0 40 EDAB CCOC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)c1cn(C)cn1)C2 96039375 FXVUTBOAPNSTTB-UKRRQHHQSA-N 343.449 1.016 0 40 EDAB CSc1nc(C(=O)NCCn2cnnc2C2CC2)c2ccccn12 96412667 PLHRBHFCOQZPNE-UHFFFAOYSA-N 342.428 1.955 0 40 EDAB Cc1ncoc1C(=O)N1CC2(C[C@@H](COCC3CC3)CCN2C)C1 248124888 LJFMBTHREBYAGI-HNNXBMFYSA-N 333.432 1.946 0 40 EDAB CC(C)N1Cc2ccnn2[C@H](CNS(=O)(=O)c2ccccc2)C1 247962391 AANANXQKWCWFDA-OAHLLOKOSA-N 334.445 1.627 0 40 EDAB CCc1ccc([C@H](COC)NS(=O)(=O)c2cnccc2OC)o1 585084130 BXBGLAAKAODWMD-LBPRGKRZSA-N 340.401 1.912 0 40 EDAB NC(=O)c1cc(C[C@H]2CCCN(C(=O)c3cccs3)C2)ncn1 257199734 AAQQECDPVGIKMM-LLVKDONJSA-N 330.413 1.732 0 40 EDAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CCN)CCO2)n1 257340909 ZIAPKIUMZBWFIR-INIZCTEOSA-N 344.415 1.856 0 40 EDAB Cc1cc(C)n(-c2ccc(N3CCN(c4cnccn4)CC3)nn2)n1 298296864 JOPRLALHQRZUQO-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB O=C(CCOc1ccccc1)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257240721 HUVINYWWDKMBHV-ZHALLVOQSA-N 332.444 1.950 0 40 EDAB CCc1noc(CCC(=O)N(C)[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)n1 257297611 RIBQLFYNCQYPDD-PBFPGSCMSA-N 347.419 1.293 0 40 EDAB Cc1ccccc1CC(=O)N(C)C[C@@]1(O)CCN(c2ncccn2)C1 257311741 UKUQOHYRNAMMKF-IBGZPJMESA-N 340.427 1.427 0 40 EDAB Cc1cc(C(=O)N2CCC(Cc3cnc(CN(C)C)cn3)CC2)on1 257311386 UJEYRAGVZGNNRZ-UHFFFAOYSA-N 343.431 1.930 0 40 EDAB COc1ccccc1[C@@H]1CNCCN1C(=O)Cn1nc(C)cc1C 257221079 DNJZTNQXZMNWTF-INIZCTEOSA-N 328.416 1.682 0 40 EDAB O=S(=O)(CCc1ccccc1)NC[C@H](O)c1ccc2c(c1)CCO2 85559380 LMOMYRVPMLDPMN-KRWDZBQOSA-N 347.436 1.817 0 40 EDAB Cc1cc(CC[C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)ncn1 257257544 KQBLJUKXQMRUSN-OAHLLOKOSA-N 348.428 1.202 0 40 EDAB Cc1nc2n(n1)C[C@H](C(=O)N(C)CCOc1ccc(O)cc1)CC2 1615044524 FNHLDEDMVCVLJU-CYBMUJFWSA-N 330.388 1.392 0 40 EDAB CC(=O)c1ccc(OS(=O)(=O)C[C@@H]2COCC(C)(C)O2)cc1 1615587813 SFIIGNYEMMMQOY-AWEZNQCLSA-N 328.386 1.792 0 40 EDAB Cn1ccnc1[C@@H]1CN(C(=O)c2cncc(C(F)(F)F)c2)C[C@H]1N 1615588962 DRSYXYSSOLXAEN-VXGBXAGGSA-N 339.321 1.401 0 40 EDAB CN(C)C(=O)COc1ccccc1C(=O)N1CC[C@@](C)(N(C)C)C1 1615586253 LLXWICRMMASZFR-GOSISDBHSA-N 333.432 1.320 0 40 EDAB CC[C@H]1CN(S(=O)(=O)c2nnnn2C)CC[C@H]1c1ccccc1 1615605712 AQUZUIFLMIWLQI-GXTWGEPZSA-N 335.433 1.415 0 40 EDAB CNCc1ccc(CNC(=O)[C@@]2(N)CCc3c(OC)cccc32)cc1 1615613074 OZVPPFQFIGUJHK-HXUWFJFHSA-N 339.439 1.831 0 40 EDAB C[C@@H](NC(=O)C1(CS(C)(=O)=O)COC1)c1cc(F)ccc1F 1616037819 PSVBTNCBLKOUNM-SECBINFHSA-N 333.356 1.203 0 40 EDAB BrC12C3[C@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 101024900 PHSSQOWAVHELST-BPDHIROUSA-N 334.007 1.762 0 40 EDAB COc1ccc([C@H]2[C@H](C(=O)O)CCC(=O)N2Cc2ccnn2C)cc1 585139786 IYGLKVNMLWMXTJ-WBVHZDCISA-N 343.383 1.993 0 40 EDAB CO[C@]1(COc2cccc(F)c2)CCN(CC2(O)CCOCC2)C1 585279119 UZDBJDVBYBEAAB-GOSISDBHSA-N 339.407 1.837 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21 585095372 SGKSXAQVXRZLKR-CQSZACIVSA-N 337.383 1.698 0 40 EDAB O=C(CN1CCCC1)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585269029 IFDCJBUOKANSPX-GOSISDBHSA-N 336.407 1.054 0 40 EDAB Cc1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)ccc1C(N)=O 65553749 GWLGTWCVAIZNDG-UHFFFAOYSA-N 347.396 1.718 0 40 EDAB Cc1cnn([C@@H]2[C@@H](O)[C@H](NCc3ccccc3F)[C@H]3CO[C@@H]2O3)c1 952844592 AEKFRXNWJXSKNU-OVYGPGRDSA-N 333.363 1.146 0 40 EDAB biogenic,in-vitro Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCN(CC(N)=O)CC1 71829323 PRNKYXUKUZKGJL-UHFFFAOYSA-N 344.337 1.042 0 40 EDAB Cc1cc(CN2CCN(C[C@@H](O)COc3ccccc3)CC2)no1 57946545 SSDVBWABPKWYFW-QGZVFWFLSA-N 331.416 1.541 0 40 EDAB C[C@H](CNC(=O)C1CCN(Cc2ccccc2)CC1)N1CCOCC1 57169269 TYKBUXFRJMJMLR-QGZVFWFLSA-N 345.487 1.736 0 40 EDAB CCOC(=O)C1CCN(C(=O)CN(C)C(=O)C(F)=C(C)C)CC1 89983593 MKBALEVCXVDBJV-UHFFFAOYSA-N 328.384 1.510 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)c2cccc(-n3ccnn3)c2)o1 95439487 VJDPWVGOKNYQPC-UHFFFAOYSA-N 339.355 1.492 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1 96025312 IRDLNTHBVUMVIT-SNVBAGLBSA-N 337.850 1.456 0 40 EDAB CN(C1CCN(c2ccc(Br)cn2)CC1)S(C)(=O)=O 96417287 LFKDFTCSAMDUIJ-UHFFFAOYSA-N 348.266 1.704 0 40 EDAB CC(=O)N1CCN(C2COC2)C[C@@H](Cc2cccc3cccnc23)C1 1615154790 IHKNIOINOOMVDB-INIZCTEOSA-N 339.439 1.956 0 40 EDAB COc1ccc(COC(=O)N[C@H](CC[S@@](C)=O)C(=O)O)cc1 5641258 GEKCUILAWRQQHC-IPQOISQHSA-N 329.374 1.143 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1C 13582080 ICBXFSYNDNNVDK-UHFFFAOYSA-N 345.380 1.634 0 40 EDAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 16638850 NXARCLNVNOOSLF-UHFFFAOYSA-N 340.445 1.766 0 40 EDAB CCCc1cc(C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cs1 17068780 GOQSIEOMOYVZKK-FNFFVJSTSA-N 334.397 1.508 0 40 EDAB CCOC(=O)CCNC(=O)[C@@H]1[C@@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C 19530506 UGEYTCXHVHLTNY-PMUMKWKESA-N 344.367 1.143 0 40 EDAB O=C(c1noc2c1CCCC2)N1C[C@@H]2CN(c3cnccn3)C[C@@H]2C1 1888868546 AWCWZHQTTNBPGX-BETUJISGSA-N 339.399 1.552 0 40 EDAB CC(=O)Nc1ccc(C(=O)NC2CN(c3nnc(C)s3)C2)cc1 1888868653 XWZHWUIATKPHFE-UHFFFAOYSA-N 331.401 1.424 0 40 EDAB C[C@]1(c2ccc(F)cc2Br)NC(=O)N(CC(=O)O)C1=O 227198926 RMJJWLKZYDWPJX-GFCCVEGCSA-N 345.124 1.440 0 40 EDAB COc1cnc(C(=O)N2CC[C@H]3CN(Cc4cccnc4)C[C@H]32)nc1 1076020365 BJVYOSBODRCJNE-GOEBONIOSA-N 339.399 1.227 0 40 EDAB COc1cc(N2CCN(c3ncnc4ccsc34)CC2=O)ccn1 2087038297 PRPUGTWZDVJMEC-UHFFFAOYSA-N 341.396 1.948 0 40 EDAB Cc1cccc(F)c1C(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCC2CC2)C1 1565554464 RUVLIAMFYJVYKS-IJEWVQPXSA-N 346.402 1.890 0 40 EDAB O=C(c1ccoc1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772801 GWALNKJTTNXJJI-UHFFFAOYSA-N 328.372 1.340 0 40 EDAB Cc1nc(C(=O)N[C@H]2CCc3onc(C(=O)NC(C)C)c3C2)cs1 2055745676 SVIXMANCIYWAPI-JTQLQIEISA-N 348.428 1.865 0 40 EDAB Cc1nnc(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)o1 2086865403 UKNLHEYLDYJVFY-UHFFFAOYSA-N 340.391 1.175 0 40 EDAB COc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CCc2ccccc21 75155754 IHUALNDNQYZPDP-IBGZPJMESA-N 340.379 1.584 0 40 EDAB CCN1C[C@H](CN(C)S(=O)(=O)N(CC)CC)Oc2ccccc21 40040792 LPLYJSMUDIQAHG-AWEZNQCLSA-N 341.477 1.792 0 40 EDAB Cc1nc2cc(F)ccc2cc1C(=O)NCCCNS(C)(=O)=O 31219242 JDQFVZRGJCRHNI-UHFFFAOYSA-N 339.392 1.351 0 40 EDAB O=c1c2cccnc2ncn1C[C@H](O)COCc1ccccc1F 40488017 XVFPQMMSJVOPBP-ZDUSSCGKSA-N 329.331 1.508 0 40 EDAB COc1ccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 40515780 HHHUXSPFAJFDBF-GFCCVEGCSA-N 326.418 1.097 0 40 EDAB O=C(Cc1csc(-c2ccccn2)n1)NCCCN1CCOCC1 31868218 PSQPTMDRVMOVNY-UHFFFAOYSA-N 346.456 1.586 0 40 EDAB Cc1ccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)s1 32333123 DTRXTFIZNPSZRU-UHFFFAOYSA-N 345.472 1.789 0 40 EDAB COc1ccc2c(c1OC)C(=O)N(c1ccc(C(=O)O)c(O)c1)C2=O 194915 PTQMRUZCZSNESD-UHFFFAOYSA-N 343.291 1.908 0 40 EDAB COC(=O)CCCN1C(=O)C(=O)c2cc(Br)ccc21 37286891 LACBUBVVDLUXBY-UHFFFAOYSA-N 326.146 1.932 0 40 EDAB O=C(CSCc1nnnn1-c1ccccc1)Nc1nccs1 8849103 WSUXFUQJEPLCBL-UHFFFAOYSA-N 332.414 1.991 0 40 EDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccccc1 12227013 DOVLXEANRDLXSL-UHFFFAOYSA-N 342.399 1.486 0 40 EDAB CCn1c(SCC(=O)NC)nnc1-c1ccc(OC)c(OC)c1 904655 WHSFKJFUVNKLHI-UHFFFAOYSA-N 336.417 1.820 0 40 EDAB CC(C)n1nc2c(cc1=O)CN(CC(=O)N[C@H](C)c1ccco1)CC2 76064988 PRWDGFFXRNKWPE-CYBMUJFWSA-N 344.415 1.653 0 40 EDAB O=C(NC[C@@H]1CCOC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 47067346 VZWDAGCKKSSWRC-ZDUSSCGKSA-N 344.415 1.713 0 40 EDAB CCc1cc(N2CCC(N[C@H](C(N)=O)c3ccccc3)CC2)ncn1 78996679 DLAGCHAABPTNHR-SFHVURJKSA-N 339.443 1.824 0 40 EDAB CC1(C)S[C@H]2[C@H](C(=O)O)N=C(Cc3ccccc3)N2[C@H]1C(=O)O 3954139 PSPRNQOVLYLHSA-AGIUHOORSA-N 334.397 1.701 0 40 EDAB in-vitro O=C(NCCNC(=O)c1nc(-c2ccccc2)no1)c1ccco1 12377032 KDKYUKFHXFQGOG-UHFFFAOYSA-N 326.312 1.489 0 40 EDAB Cc1cc(C)n2nc(C(=O)Nc3nc4c(s3)CN(C)CC4)nc2n1 23608127 AERYTQFASXNIGW-UHFFFAOYSA-N 343.416 1.438 0 40 EDAB COc1ccccc1NC(=O)CN1CCN(c2nccs2)CC1 54620432 CQSUQWOXDNFBTH-UHFFFAOYSA-N 332.429 1.912 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc(CC)n[nH]2)C1 54810133 ZIGUZVIBSWMVGA-JTQLQIEISA-N 326.422 1.261 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)NCCNC(=O)COc1ccccc1 43041524 ZHPICWNXCPZARK-LLVKDONJSA-N 348.321 1.265 0 40 EDAB COc1ccc(CCNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 24586233 LXCQWUOXCKCEHI-YOEHRIQHSA-N 334.441 1.808 0 40 EDAB O=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1nncs1 43128851 AAPNCYWCRSCYNW-CYBMUJFWSA-N 333.417 1.079 0 40 EDAB C[C@H](COc1cccc(F)c1)NC(=O)c1ccc(-n2cnnn2)cc1 58162575 MMEKRGHNOVULIN-GFCCVEGCSA-N 341.346 1.999 0 40 EDAB O=C(NCCOc1cccc(Cl)c1Cl)c1ccc(=O)[nH]n1 55732210 XQOXDXGSWUSIHV-UHFFFAOYSA-N 328.155 1.886 0 40 EDAB CCN1CCN(c2ccc(N[C@@H](C)C(=O)NC(N)=O)c(C)c2)CC1 56170204 IRFFPXSAENCLPP-ZDUSSCGKSA-N 333.436 1.132 0 40 EDAB Cn1cc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cn1 12533887 SSDZBTFZYOAQFV-UHFFFAOYSA-N 346.362 1.065 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCCCn2ccnc2)[C@@H]1c1ccccc1 57355500 MJNSFDUNXMSBLA-AEFFLSMTSA-N 340.427 1.999 0 40 EDAB Cc1nc(NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)sc1C 26898153 CBYVAMJCIXTJPN-GFCCVEGCSA-N 346.460 1.699 0 40 EDAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)N2CCOCC2)CC1 27340685 OSTZURWSXFVCAE-UHFFFAOYSA-N 337.807 1.550 0 40 EDAB COc1ccc([C@H](NCC(=O)NC(N)=O)c2ccc(C)cc2)cc1 58168809 SMYQZZXJQREZBP-QGZVFWFLSA-N 327.384 1.878 0 40 EDAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)CCn2cncn2)cc1 48273133 FSAQXJARTFRMDD-QGZVFWFLSA-N 343.431 1.166 0 40 EDAB CC(C)N1CCC[C@H](CNC(=O)Cn2c(=O)n(C)c3ccccc32)C1 58197858 FSQIIKKACCASPF-OAHLLOKOSA-N 344.459 1.577 0 40 EDAB O=C(NCCOc1ccccc1)NC1CCN(c2ncccn2)CC1 44949518 PVXSTNPOJSLXKA-UHFFFAOYSA-N 341.415 1.824 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCCc3csc(C)n3)CC2)on1 44967745 GLKLOYUXKKLQDK-UHFFFAOYSA-N 349.460 1.818 0 40 EDAB Cn1c(=O)n(CC(=O)N[C@@H]2CCN3CCCC[C@H]23)c2ccccc21 44942048 TXNDNGJBDPETFR-ZIAGYGMSSA-N 328.416 1.083 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@@H]1c1ccsc1 52804155 FODOYHCNUFXUAK-VNHYZAJKSA-N 335.473 1.997 0 40 EDAB C[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)C(=O)N1CCOCC1 58328902 STTLNOHOIQONAI-CQSZACIVSA-N 330.428 1.471 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)C1 28082842 JUJCIDSPHJMXED-MRXNPFEDSA-N 337.489 1.781 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cc(-c3ccco3)on2)c1 10914874 YKIVUZSHJOUXMZ-UHFFFAOYSA-N 349.368 1.395 0 40 EDAB COc1ccc2c(c1)CCN2C(=O)c1cc(C)nc2c1c(=O)[nH]n2C 58905033 XWXALZBSQASHQM-UHFFFAOYSA-N 338.367 1.782 0 40 EDAB C[C@@H]1CCc2nn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)cc2C1 21110634 KZCZQRDLPZGPFI-LLVKDONJSA-N 341.367 1.736 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)N[C@@H](C)c1ccc(F)cc1 11097344 IEYMJTSLCNUBOV-YUMQZZPRSA-N 336.396 1.533 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1noc(-c2cccs2)n1 59009970 SJCWOBMKFYOSLC-CYBMUJFWSA-N 336.398 1.726 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)N2CCOCC2)nn1C 36612424 QAUCEICDDXYSPX-QWHCGFSZSA-N 334.420 1.201 0 40 EDAB Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCCCNC2=O)CC1 45669767 LUUBEVZWJYVVIW-OAHLLOKOSA-N 330.432 1.495 0 40 EDAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCN(c2cnccn2)CC1 11545330 NSXLNARCQJDJSY-OAHLLOKOSA-N 344.802 1.782 0 40 EDAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCN(C)CC1 22515498 RWRAEAHOYYNVDM-QGZVFWFLSA-N 337.439 1.737 0 40 EDAB C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O 3412818 PJGCWKMZBLUPLO-SSDLBLMSSA-N 328.173 1.106 0 40 EDAB in-vitro Cn1nnnc1SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 3513101 OZCMUHSILPTARL-UHFFFAOYSA-N 334.430 1.679 0 40 EDAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)C1 13260664 CTBDYXLTZRXPJZ-NWDGAFQWSA-N 334.347 1.502 0 40 EDAB COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H](c2nc(C)no2)C1 63296432 RNEOGZGZNRSPRG-STQMWFEESA-N 338.408 1.855 0 40 EDAB Cc1cc(OCC(=O)NCC(=O)O)c2c3c(c(=O)oc2c1)CCC3 4029964 NYVPXSDCDBFMKO-UHFFFAOYSA-N 331.324 1.170 0 40 EDAB biogenic CCS(=O)(=O)c1ccccc1N1CCC(NC(=O)COC)CC1 64090886 UJQBMCPVQARUJU-UHFFFAOYSA-N 340.445 1.212 0 40 EDAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(=O)[nH]c3)sc2c1 13598194 SABGUPQEZHGYCY-UHFFFAOYSA-N 349.393 1.640 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(C[C@H](O)COc2ccccc2F)C1=O 65399433 UTNXRIOVDQMXLB-GTNSWQLSSA-N 348.330 1.626 0 40 EDAB Nc1cc(N)nc(SCC(=O)NCCSc2ccccc2)n1 5259957 CAUNYCXCADKEJL-UHFFFAOYSA-N 335.458 1.642 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)Cn2ccnc2)cc1OC 65424163 YOYKONIGWSPWBC-LLVKDONJSA-N 325.390 1.267 0 40 EDAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1CC(=O)NC(=O)NC(C)(C)C 65553902 RLDIBAKUGAEGTC-WCQYABFASA-N 346.431 1.478 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NCc2nncn2-c2ccccc2)C1 65575929 NEUWTCNYSMRSEL-CQSZACIVSA-N 342.403 1.077 0 40 EDAB Nc1nc(N)nc(SCC(=O)NCCSc2ccccc2)n1 5320517 VXXZZQMMQFDNCL-UHFFFAOYSA-N 336.446 1.037 0 40 EDAB C[C@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 6498717 KWACBRFSHOJVQY-NSHDSACASA-N 331.420 1.223 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)C(=O)N(C(C)C)C1=O 6435850 IAEYXOBRKSXNID-UHFFFAOYSA-N 327.340 1.858 0 40 EDAB Cc1nnc(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)o1 5427840 YJPHSFSZANQQFW-UHFFFAOYSA-N 332.284 1.731 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCN(S(=O)(=O)C2CC2)CC1 42384005 OVBHONYGLUBOFM-UHFFFAOYSA-N 326.393 1.005 0 40 EDAB CN(C)C(=O)Cn1cc(NC(=O)C2=Cc3ccccc3OC2)cn1 66384562 AASITNKNVUXRLF-UHFFFAOYSA-N 326.356 1.386 0 40 EDAB COc1ccc(CNC[C@]2(N3CCOCC3)CCSC2)cc1O 67218677 PIZITDWCTVMTEG-QGZVFWFLSA-N 338.473 1.698 0 40 EDAB CCn1c([C@@H]2CCCN(Cc3nc4cc(F)ccc4[nH]3)C2)n[nH]c1=O 67675925 VMJXBQJYFXCLLQ-LLVKDONJSA-N 344.394 1.986 0 40 EDAB CCS(=O)(=O)NCCSc1nnc(C)n1-c1ccccc1C 68043057 YJICYVVLPYJUAU-UHFFFAOYSA-N 340.474 1.916 0 40 EDAB COC(=O)[C@@H](NCC(=O)NC(=O)Nc1ccccc1)c1ccccc1 68454295 NKQDBRVWZNTFNS-INIZCTEOSA-N 341.367 1.839 0 40 EDAB COC(=O)[C@@H]1CN(CC(=O)NC2CCCCC2)c2ccccc2O1 68759281 PFKLSOMPSGQLOM-INIZCTEOSA-N 332.400 1.876 0 40 EDAB CCCn1nnnc1COC(=O)c1ccccc1NC(=O)NC(C)C 16534939 SLRGHNDVKQWQTA-UHFFFAOYSA-N 346.391 1.970 0 40 EDAB CSc1cccc(NC(=O)CNC(=O)C(=O)NC2CCCC2)c1 8188408 MYAWGKUOVJSXSJ-UHFFFAOYSA-N 335.429 1.522 0 40 EDAB CC(C)[C@@H](C)NC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1 8261939 VOGIQXJLMVTGRR-NXEZZACHSA-N 347.462 1.225 0 40 EDAB COC(=O)[C@@H](NC(=O)CCNC(=O)c1ccc(Cl)cc1)C(C)C 9502754 QZDUENUGCHTKLE-AWEZNQCLSA-N 340.807 1.774 0 40 EDAB O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1ccc[nH]c1=O 70019102 UEQHEAIKUSCKFU-ZDUSSCGKSA-N 347.371 1.668 0 40 EDAB COc1cccc(Cc2nnc(NC(=O)[C@H](C)NC(C)=O)s2)c1 70018500 UYXDGPPUXOCLSH-VIFPVBQESA-N 334.401 1.601 0 40 EDAB C[C@@H](O)CN1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 70039974 XPFDKZBBFJUTGR-GFCCVEGCSA-N 326.824 1.610 0 40 EDAB Cc1nc(CN2CCN(C(=O)CCC(=O)c3ccccc3)CC2)no1 71882378 OUOLQDUFGDBGDW-UHFFFAOYSA-N 342.399 1.685 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(OCC(N)=O)cc3)C2)c1 69453185 AGPNYXAGJYDKPT-OAHLLOKOSA-N 342.399 1.533 0 40 EDAB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1)c1ccc(Cl)s1 69482829 GGIFEODQROMHJL-NXEZZACHSA-N 348.877 1.393 0 40 EDAB Cc1noc(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 71883338 PNVBFSZDSSQUQK-GFCCVEGCSA-N 346.362 1.619 0 40 EDAB COCCN(C(=O)c1ccc(Br)cc1C)[C@@H](C)C(N)=O 71879532 UONLWXBNTHOUHK-JTQLQIEISA-N 343.221 1.720 0 40 EDAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@@](C)(NC(C)=O)C2CC2)C1 71870829 ARVMUITULZFBAB-QAPCUYQASA-N 332.448 1.914 0 40 EDAB CCOc1ccccc1-c1noc(CN2CCN(C[C@@H](C)O)CC2)n1 69627825 QZKNEMSCMFIAQA-CQSZACIVSA-N 346.431 1.634 0 40 EDAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCO[C@H](Cn2cc(C)cn2)C1 69699831 WXRWIRAENCSOBG-LSDHHAIUSA-N 347.419 1.606 0 40 EDAB Cn1cc(-c2ncc(C(=O)N3CCCC[C@@H]3CC(N)=O)s2)cn1 69699234 JQWCRUIRJJRMEH-LLVKDONJSA-N 333.417 1.414 0 40 EDAB CN(Cc1ccccc1)C[C@@H](O)CN1CCC[C@H](Cn2cncn2)C1 69698057 CMQKMFMJZOSTBE-RBUKOAKNSA-N 343.475 1.483 0 40 EDAB COc1cccc(CC(=O)N2CCN([C@@H]3C[C@@H](C)OC3=O)CC2)c1 71832819 NCHPDHRDQSPWHG-CZUORRHYSA-N 332.400 1.086 0 40 EDAB COc1ccccc1CCNC(=O)Cn1nnc2ccccc2c1=O 17845918 VQHCTHIYGKAVNI-UHFFFAOYSA-N 338.367 1.159 0 40 EDAB Cc1noc([C@H](C)NC(=O)Nc2ncn(Cc3ccccc3)n2)n1 69701785 KNUPSQMNYZGOKY-JTQLQIEISA-N 327.348 1.901 0 40 EDAB Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCOC[C@H]3C)c2)cc1 69703233 FGRMJTAAWXWEJJ-CQSZACIVSA-N 348.424 1.894 0 40 EDAB CN(CC(=O)N(C)Cc1ccco1)C[C@@H]1CCCN1c1cccnn1 71877492 BQLKYQSFKKUJMG-HNNXBMFYSA-N 343.431 1.629 0 40 EDAB COC(=O)[C@@H](O)C1CCN(Cc2c(C)nc3sc(C)cn23)CC1 92015387 VCWKPIUDAFVSSD-AWEZNQCLSA-N 337.445 1.759 0 40 EDAB CN(CCCNS(C)(=O)=O)CCc1ccc(Br)cc1 69809553 QJBQISNGTADITR-UHFFFAOYSA-N 349.294 1.863 0 40 EDAB C[C@H](O)CN1CCN([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 69948991 HUDUNUIZKRWRTD-YQQAZPJKSA-N 347.459 1.013 0 40 EDAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C1 69901611 ZCTFRADTYSBIIG-HZPDHXFCSA-N 330.432 1.614 0 40 EDAB COCCCNC(=O)[C@H](C)N1CCCC[C@H]1Cn1nc(C)cc1C 69925562 BHRVDHQXPDGTIA-IRXDYDNUSA-N 336.480 1.896 0 40 EDAB CCc1cnc(CN(C(C)=O)[C@@H]2CCN(CC(=O)N3CCCC3)C2)o1 83827814 CXJOIVLSSZGTMD-OAHLLOKOSA-N 348.447 1.282 0 40 EDAB CN1CCC(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 71916786 MKFRDVOYQOWZNY-GOSISDBHSA-N 331.460 1.488 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@@H]1CCCO1)CC2 71908784 NTIPPIBZQTWATD-ZDUSSCGKSA-N 338.429 1.395 0 40 EDAB O=C1[C@@H](N2CCCS(=O)(=O)CC2)CCN1c1ccccc1F 71900577 AGGCMYPLGIWYEN-AWEZNQCLSA-N 326.393 1.052 0 40 EDAB C[C@@H]1OCCN(C(=O)Nc2cc(Br)cn(C)c2=O)[C@@H]1C 97048717 RMZZIBJXAXWQGI-BDAKNGLRSA-N 344.209 1.789 0 40 EDAB O=C1NC(=O)[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)N1 72290685 BLNXSKYUBHRQRG-HWWQOWPSSA-N 333.775 1.254 0 40 EDAB CCC(CC)(CNC(=O)c1cc(C)no1)NC(=O)c1cc(C)no1 72283862 TXDKWMDWWFHUMX-UHFFFAOYSA-N 334.376 1.998 0 40 EDAB CN1CCN(c2cc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)ccn2)CC1 72281041 BNHQKEKNAFHKKW-JKSUJKDBSA-N 330.432 1.227 0 40 EDAB Cc1nn(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c(C)c1Cl 72268999 TVCHEXMMGYLDCG-UONOGXRCSA-N 340.855 1.211 0 40 EDAB CCN1CCN(CCNS(=O)(=O)c2cccc(C)c2Cl)CC1 97104255 WECWPFRBQBIWBB-UHFFFAOYSA-N 345.896 1.564 0 40 EDAB CNS(=O)(=O)c1cccc(NC(=O)CCCc2ccccn2)c1 95396298 FYMVCHJSQPTLJK-UHFFFAOYSA-N 333.413 1.951 0 40 EDAB COc1ncnc2c1CN(Cc1cc(=O)n3c(C)csc3n1)CC2 97202346 QDUKTRKMSIHXFP-UHFFFAOYSA-N 343.412 1.421 0 40 EDAB Cc1cnn(Cc2ccc(NC(=O)[C@@H](C)N3CCN(C)CC3)cc2)c1 95394505 FDTJMZRIHQYOGV-MRXNPFEDSA-N 341.459 1.814 0 40 EDAB CC[C@@H]1CN(CCc2nc3ccccc3c(=O)[nH]2)CCN1C[C@@H](C)O 84736470 RQPIQAOCSBBLQL-HUUCEWRRSA-N 344.459 1.243 0 40 EDAB CCc1cc(=O)n2nc(N3CCCC[C@@H]3[C@H]3CNC(=O)C3)sc2n1 95449526 SVUIFPCLYCSNRS-ZYHUDNBSSA-N 347.444 1.208 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)Cc2cccc(Cl)c2)C1 95440034 CFJQVNLSLKJDOD-BXUZGUMPSA-N 344.864 1.669 0 40 EDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Cn1ncc3ccccc31)CC2 95400584 NVUZQPLGFDRSAM-IAGOWNOFSA-N 343.427 1.815 0 40 EDAB CCn1c(=O)cc(Cl)n(CC(=O)N[C@H]2CCCC[C@H]2C)c1=O 95464695 HPPCPGOWSKNWHT-MNOVXSKESA-N 327.812 1.378 0 40 EDAB COC(=O)c1ccc([C@H](C)N2CCN(Cc3n[nH]c(C)n3)CC2)o1 95987400 LZCDQFXOIZOTMR-NSHDSACASA-N 333.392 1.372 0 40 EDAB CCOc1ccc(CN2CCN(c3ccncc3C(N)=O)CC2)cc1 95941106 MMRBNUCCPNKUIE-UHFFFAOYSA-N 340.427 1.901 0 40 EDAB CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)C1 89942140 YSFZTLDWJMVTNY-JHJVBQTASA-N 326.437 1.887 0 40 EDAB CC[C@H](C(=O)N[C@H](C)COC)N(c1ccc(F)cc1)S(C)(=O)=O 37021592 YTIVSGMGTZFAGT-BXUZGUMPSA-N 346.424 1.521 0 40 EDAB O=C(Nc1cc2ccccn2n1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 554416334 RYYSFEIDHOGUGV-ZNMIVQPWSA-N 330.388 1.728 0 40 EDAB CN(C)c1cccc(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)O)c1 556714523 HIBXUDMUBRHGPT-ZDUSSCGKSA-N 342.417 1.005 0 40 EDAB Cc1[nH]nc2c1[C@H](c1cc(Cl)ccc1O)c1c([nH]c(=O)[nH]c1=O)N2 31808581 JDLLIKONOFSAJL-JTQLQIEISA-N 345.746 1.691 0 40 EDAB CCn1c2cc(C)oc2c2cnn(CC(=O)N3CCOCC3)c(=O)c21 72335346 KDXHYIZSROPRPN-UHFFFAOYSA-N 344.371 1.131 0 40 EDAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)s1 30570557 GBEMKVOMJBEQAS-UHFFFAOYSA-N 344.418 1.769 0 40 EDAB O=S(=O)(NCc1ccc(F)cc1)c1cnn(-c2ccccn2)c1 72239030 JSWPJNDSOCVXGI-UHFFFAOYSA-N 332.360 1.885 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C)C2)c(Cl)c1 78394026 HGOWGKLRWNQCLB-SECBINFHSA-N 333.793 1.536 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 217561578 XUXFJLBUXXRALP-NSHDSACASA-N 342.417 1.298 0 40 EDAB COc1cccc(COCC(=O)N2C[C@H](C)N(CCO)[C@H](C)C2)c1 565289139 CMVVKQQUQDBDMD-GASCZTMLSA-N 336.432 1.125 0 40 EDAB CC(=O)N1CCN(c2ccc(C[C@H]3CCCN(C(C)C)C3)nn2)CC1 72387155 FYJJNIBOCQIRLR-QGZVFWFLSA-N 345.491 1.808 0 40 EDAB NC(=O)Nc1cccc(CNC(=O)c2ccc(N3CCCC3)nn2)c1 69392592 FFDZCAZCYNIEHP-UHFFFAOYSA-N 340.387 1.497 0 40 EDAB CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCNCC4)ccc1c23 36533828 WYFBHGQNVQPGGT-UHFFFAOYSA-N 345.424 1.414 0 40 EDAB CC(C)[C@@H](CNC(=O)c1c(O)cc(F)cc1F)N1CCN(C)CC1 75182179 WPQYXWRJSULDBH-CQSZACIVSA-N 341.402 1.672 0 40 EDAB NCC(=O)N1CC[C@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 79412567 CGLDJYCTFUDCHQ-HNNXBMFYSA-N 331.416 1.595 0 40 EDAB COc1ccc(CCN2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 137102582 DNEPWNBFUCYWGR-CHWSQXEVSA-N 326.443 1.387 0 40 EDAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2cccs2)C1 223192488 FDYZVOIZZIJMOC-GFCCVEGCSA-N 337.445 1.241 0 40 EDAB CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(CN(C)C(C)=O)c1 69373024 BEQFRIVFMYJDNP-OAHLLOKOSA-N 349.456 1.915 0 40 EDAB CCN1CCN(C(=O)Cn2ccc(=O)c3cc(Cl)ccc32)CC1 225724921 CZXYVUYROASTNC-UHFFFAOYSA-N 333.819 1.819 0 40 EDAB Cc1ncc(CN2CCC3(CC2)NC(=O)c2ccccc2O3)n1C 43277648 BTYGNEUGGIITSA-UHFFFAOYSA-N 326.400 1.843 0 40 EDAB Cc1nccn1Cc1cccc(CNS(=O)(=O)[C@H]2CCO[C@H]2C)c1 135513437 DGBFIAJSDFCYMI-GUYCJALGSA-N 349.456 1.837 0 40 EDAB Cc1ccn(CCNC(=O)C(=O)Nc2c(C)nn(CC(C)C)c2C)n1 49548417 WZBGCHSTZOMZNS-UHFFFAOYSA-N 346.435 1.416 0 40 EDAB O=C(N[C@@H]1CCCc2c(O)cccc21)[C@H]1COCCN1CC(F)F 190326733 JSMJASMYZRGQPD-ZIAGYGMSSA-N 340.370 1.852 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)NCc2ccccc2)C1 225389371 IKMIGNIQZLVLNQ-CQSZACIVSA-N 328.372 1.848 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)NCC2CCCCC2)ccc1OC 224222477 FBIRGQKTMUVWHH-UHFFFAOYSA-N 340.445 1.913 0 40 EDAB C[C@H](CNC(=O)NC[C@@H](O)c1cnn(C)c1)N1CCc2ccccc21 96437767 WSIWWLTXBNODQJ-CXAGYDPISA-N 343.431 1.204 0 40 EDAB COc1cccc(S(=O)(=O)N2CC[C@]3(C[C@@H](OC)CO3)C2)c1 96107684 BPTFCPMFBUNDNJ-HIFRSBDPSA-N 327.402 1.264 0 40 EDAB Cc1ccc(CN(C(=O)CS(=O)(=O)c2ncc[nH]2)C2CC2)cc1 96452946 UJUWJLFTZLXEAC-UHFFFAOYSA-N 333.413 1.683 0 40 EDAB C[C@@H](CNC(=O)NC[C@@H](O)c1cnn(C)c1)N1CCc2ccccc21 96437765 WSIWWLTXBNODQJ-SUMWQHHRSA-N 343.431 1.204 0 40 EDAB O=C(NC1CCN(Cc2ccccc2F)CC1)[C@]1(O)CCSC1 96487431 JAICUSBZUCOKRH-KRWDZBQOSA-N 338.448 1.774 0 40 EDAB O=C(N1CCCC1)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96048542 FRFBWVLOPWYUKB-PBHICJAKSA-N 349.410 1.867 0 40 EDAB Fc1ccc(CN2CCn3cc(CN4CCOCC4)nc3C2)cc1 96197284 XKCSURJSWQQAIM-UHFFFAOYSA-N 330.407 1.870 0 40 EDAB O=C(NCc1ccccn1)[C@H]1CO[C@@H]2CN(CC3CCOCC3)C[C@@H]21 96218539 ZDWIHNIFYYMFNY-FGTMMUONSA-N 345.443 1.071 0 40 EDAB O=C(Nc1cccnc1)[C@H]1COC[C@H]2CN(C3CCOCC3)C[C@H]21 97953538 IKTYUWFNKREWSE-XYPHTWIQSA-N 331.416 1.394 0 40 EDAB Cc1noc([C@H]2COC[C@H]3CN(C(=O)Cc4cccs4)C[C@H]32)n1 96040737 RUPLKCNOGBGGIN-BNOWGMLFSA-N 333.413 1.871 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(c2ccc3nccn3n2)CC1 96483286 SUBRLSKKCGONBT-UHFFFAOYSA-N 340.387 1.225 0 40 EDAB O=C(COCCc1ccccc1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 583620376 BXJYICQZBNFIIJ-KURKYZTESA-N 333.428 1.634 0 40 EDAB Cn1nccc1[C@@H]1NC(=O)CC[C@H]1Nc1ncnc2ccc(F)cc12 583617981 PTVQWAIZWSKFNT-CZUORRHYSA-N 340.362 1.934 0 40 EDAB O=C(O)C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)c1ccc(F)cc1 581439669 CXQPLEJMRMDSAE-VXGBXAGGSA-N 329.349 1.035 0 40 EDAB O=C(c1ccncc1)N1CCCn2c(CN3CCCC3)nnc2C1 96259626 IVYYDOFROPOVBE-UHFFFAOYSA-N 326.404 1.315 0 40 EDAB O=C(c1ccc(F)cc1)N1CCCn2nnc(Cn3cccn3)c2C1 96259543 SJRKFACZPHLAAS-UHFFFAOYSA-N 340.362 1.708 0 40 EDAB Cc1nnc(N2CC[C@@]3(C[C@H](NC(=O)c4ccco4)CCO3)C2)s1 96209778 KZTWOICSKSCEJX-MLGOLLRUSA-N 348.428 1.997 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)[C@H]2COCCO2)C12CCC2 585112843 DYODYJGMDCRENF-FRRDWIJNSA-N 340.420 1.354 0 40 EDAB CCOC(=O)[C@H](c1nc(Br)sc1C)N1CC[C@@H](O)C1 585117185 TXOLRAKDPZXSJT-SCZZXKLOSA-N 349.250 1.885 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 97372312 UJCLVQXFGAYPCM-MRXNPFEDSA-N 341.415 1.286 0 40 EDAB CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)c2ccncn2)n1 96215737 JHQMPDUBXPSYAZ-AWEZNQCLSA-N 342.403 1.327 0 40 EDAB COCCN1C[C@@H](COC)C2(CCN(c3nnc(C)s3)CC2)C1 247994901 CNZMCJRDKGSZGE-AWEZNQCLSA-N 340.493 1.658 0 40 EDAB CN1C(=O)CCC[C@@H]2[C@H]1CCCN2S(=O)(=O)c1ccc(F)cc1 257299647 RQYIOMDVYHBTBP-HUUCEWRRSA-N 340.420 1.990 0 40 EDAB COc1ccc(Cn2c(-c3ccc(OC)c(OC)c3)noc2=O)nn1 252480516 CBINGRXLXNQZKE-UHFFFAOYSA-N 344.327 1.367 0 40 EDAB COCc1c(C(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)noc1C 257266689 MEBJWLJFPLUHRS-CQSZACIVSA-N 332.360 1.442 0 40 EDAB CCn1cc(C(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)cn1 257284444 PCTCZGTXTXMSHI-KRWDZBQOSA-N 329.404 1.011 0 40 EDAB COc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c1F 257274213 NJZPSSSMHIFWPU-HUUCEWRRSA-N 345.374 1.204 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)Cc3nonc3C)CCO2)n1 257253317 JYKRSUHAJJDWCJ-INIZCTEOSA-N 345.403 1.290 0 40 EDAB CN(C(=O)CCc1ccnn1C)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257273215 NFSMTFBBCXJVHC-ZHALLVOQSA-N 343.427 1.782 0 40 EDAB CN(C)c1cnc(C[C@@H]2CCCN(C(=O)c3ccncn3)CC2)cn1 257259856 LAIGQSFSHXYMMI-CQSZACIVSA-N 340.431 1.818 0 40 EDAB NC(=O)c1ncn(C2CCN(C(=O)Cc3ccsc3)CC2)c1N 282840397 FGSGLPQCUGQLMB-UHFFFAOYSA-N 333.417 1.032 0 40 EDAB COc1cccc(CC(=O)N2CCN(C)CCC23CCOCC3)c1 1615589071 JHLGVYFODYXGQZ-UHFFFAOYSA-N 332.444 1.951 0 40 EDAB O[C@H]1CCN(C[C@](O)(c2ccc(Br)cc2)C(F)F)C1 1615588893 ULMUWZUOJHGCTQ-AAEUAGOBSA-N 336.176 1.968 0 40 EDAB CCCN(CCc1cccs1)C(=O)C1(CS(C)(=O)=O)COC1 1616037301 GXYLZEAZEKBDAM-UHFFFAOYSA-N 345.486 1.590 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1 575403817 KQLKFWLNQBDJNX-HNNXBMFYSA-N 340.445 1.570 0 40 EDAB CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)Cc2cnc[nH]2)C1 585277788 PEVXIQWFVJJWFA-KRWDZBQOSA-N 333.363 1.788 0 40 EDAB O=C1NCC[C@@]12CN(S(=O)(=O)c1ccccc1F)CC(F)(F)C2 585093271 MXWDSAHFJIGCIY-CYBMUJFWSA-N 348.346 1.362 0 40 EDAB CC1(C)COc2c(S(=O)(=O)Nc3cnc4ccccn34)cnn2C1 903641697 DYGXREQBSPUIIX-UHFFFAOYSA-N 347.400 1.750 0 40 EDAB CC1CCC(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)CC1 585110681 IVUUROYXJNZVIM-PCKAHOCUSA-N 342.447 1.960 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCCN(Cc2cnn(C)c2)CC1 69489318 QUIUGYHGULRQLD-UHFFFAOYSA-N 344.463 1.047 0 40 EDAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OC[C@@H]2CCCO2)c1 32666429 KOZBYYOKVSCARZ-JTQLQIEISA-N 347.820 1.926 0 40 EDAB COc1ccc(/C=C/C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c(OC)c1 71823424 BZMFBBDATZTZHD-VWZQRQAESA-N 332.400 1.829 0 40 EDAB C[C@H](O)CNS(=O)(=O)c1ccc(Br)cc1Cl 35119246 KKRNPDHWSCGSOB-LURJTMIESA-N 328.615 1.762 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCC[C@H](O)C2)c(C)c1 44867484 TWIZFLYMSDRJHB-HNNXBMFYSA-N 333.432 1.123 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 47266385 SYQRRTRHMBMDDI-QWRGUYRKSA-N 345.442 1.867 0 40 EDAB O=C(Cc1cccnc1)NC1CN(c2ncnc3ccsc23)C1 1776009850 UNRCMYBQIAVNRC-UHFFFAOYSA-N 325.397 1.634 0 40 EDAB Cc1ccc(CN2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)cc1 60392011 QYFYUGFLGFXENI-INIZCTEOSA-N 326.400 1.356 0 40 EDAB NC(=O)C1(CNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CCOCC1 57010782 QCFCYJSXRJZDOR-WDEREUQCSA-N 336.354 1.753 0 40 EDAB CCO[C@H](C)c1noc(CN2CCN(c3cc(CC)ncn3)CC2)n1 76064213 OQBFZGUFEDUFKE-CYBMUJFWSA-N 346.435 1.842 0 40 EDAB COCCN1CCC(CNC(=O)C2(NC(C)=O)CCCCC2)CC1 89954611 LXVWYKYUXACUCL-UHFFFAOYSA-N 339.480 1.300 0 40 EDAB CCn1ccnc1N1CCN(CC(=O)NCc2ccc(F)cc2)CC1 11695747 TZSFAWHATFLLQD-UHFFFAOYSA-N 345.422 1.481 0 40 EDAB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccccn1 15920238 MASWAICCANJEFW-KRXQYRFLSA-N 349.383 1.248 0 40 EDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C1=O 18168048 GENUUNAQQVCPOX-GEEKYZPCSA-N 327.336 1.731 0 40 EDAB Cc1nc([C@@H]2CCCCN2C(=O)COC(C)C)nc2c1CC(=O)N2C 19739638 VXMANGKSKAGMDZ-AWEZNQCLSA-N 346.431 1.783 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](Oc2cnccn2)C1 225477257 YFTNZTXOITVITJ-GFCCVEGCSA-N 338.389 1.314 0 40 EDAB CS(=O)(=O)Cc1ccccc1CNC(=O)[C@H]1CC12CCOCC2 532054772 VWWULTDVQKNWFV-OAHLLOKOSA-N 337.441 1.664 0 40 EDAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCOCC1 11613650 AZXVVJPUZKNSRZ-NSHDSACASA-N 335.429 1.018 0 40 EDAB O=C(COc1cccc(Br)c1)NCC(=O)NC1CC1 6989423 SFDMBLXEMIARPT-UHFFFAOYSA-N 327.178 1.223 0 40 EDAB O=C(c1ccc(O)nc1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888850350 FQFRFNNVHJNMPL-LBPRGKRZSA-N 340.383 1.996 0 40 EDAB Cc1nccc(N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)n1 1888863640 GKPYFQDKNYZBJU-HUUCEWRRSA-N 336.443 1.945 0 40 EDAB Cc1oc(-c2ccccc2)nc1Cn1ccn(N(C)C)c(=O)c1=O 1889030604 GIUTXPJQJUSZAN-UHFFFAOYSA-N 326.356 1.219 0 40 EDAB Cc1nc(N2CCCC2)cc(N2CCN(c3ncncc3F)CC2)n1 1889077201 FGGDFAYJYHOBTG-UHFFFAOYSA-N 343.410 1.641 0 40 EDAB COc1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1 1889099038 DCJNBDMCTVYPCK-UHFFFAOYSA-N 340.374 1.959 0 40 EDAB COc1cc(CN2CCO[C@@H](C(=O)N3CCCC3)C2)cc(OC)c1 1889128352 PLDFSWSNLGXPFZ-QGZVFWFLSA-N 334.416 1.527 0 40 EDAB CCOCC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912368 KKAZZSOQKPKRFB-QGZVFWFLSA-N 325.380 1.985 0 40 EDAB Cc1nc(C)c(C(=O)N2CCO[C@@]3(CCCCN(C)C3=O)C2)s1 2037985776 VYGRIXZDRLPYPV-INIZCTEOSA-N 337.445 1.613 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@H]2NC(=O)c1ccncc1OC 1614938049 QLNXVPTYTCUHGE-CYBMUJFWSA-N 342.399 1.596 0 40 EDAB CCN1C(=O)CC[C@@]12CCCN(C(=O)CCc1cncnc1)CC2 1565545602 LMDILEVROOQFIA-GOSISDBHSA-N 330.432 1.803 0 40 EDAB COc1cccc(S(=O)(=O)N2CCCN([C@@H]3CCOC3)CC2)c1 1565522570 KRRZNNWXXMLXPM-CQSZACIVSA-N 340.445 1.181 0 40 EDAB Cc1nc2ccccn2c1C(=O)N1C[C@@H]2OCCN(CC3CC3)[C@@H]2C1 1565552814 XVEDQQVRHPVIRG-CVEARBPZSA-N 340.427 1.578 0 40 EDAB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1csnn1)C2 1565553385 WWFIGRHAHIPFOE-UHFFFAOYSA-N 332.433 1.414 0 40 EDAB CN(C)CCN1CCO[C@H]2CN(C(=O)/C=C/c3cccs3)C[C@H]21 2055747765 VFARVJJXPVHEIO-QDNWOOLPSA-N 335.473 1.235 0 40 EDAB CN(C)CCN[C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)O 22809377 CTBZWVRVKTZHBA-GFCCVEGCSA-N 348.230 1.926 0 40 EDAB Cc1cc(OCC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccn1 1775968330 ZDPQZVWEFNYFTA-UHFFFAOYSA-N 345.399 1.156 0 40 EDAB CCCc1nnsc1C(=O)N1CC[C@@H](Oc2ccc(OC)nn2)C1 225436977 SHTDDNSDGBXWEV-SNVBAGLBSA-N 349.416 1.583 0 40 EDAB Cc1nc(S(=O)(=O)NCc2nccnc2-c2ccco2)cn1C 575414263 ROMKTWXDCMXLQV-UHFFFAOYSA-N 333.373 1.257 0 40 EDAB COC(=O)c1ccc2c(=O)n(CC(=O)NCC(C)C)c(=S)[nH]c2c1 17113267 WZFPYJBTZJOCMW-UHFFFAOYSA-N 349.412 1.618 0 40 EDAB O=C(NCc1ccccc1)C(=O)NC[C@@]1(O)CCOc2ccccc21 75158178 ICJOQHKMTVTXBA-IBGZPJMESA-N 340.379 1.089 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC)nc2)C1 40092583 SJYOELCBJOFSHG-GFCCVEGCSA-N 341.433 1.481 0 40 EDAB Cc1nc2cc(F)ccc2cc1C(=O)NC1CCN(CC(N)=O)CC1 40490387 FCBCWWAHXWWNBL-UHFFFAOYSA-N 344.390 1.362 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2c3c(nc4ccccc24)CCCC3)CCO1 50857191 AOOLCBKXRPVVBF-MRXNPFEDSA-N 339.395 1.440 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1=O 40553949 GWWCDFFIECVJMW-DZKIICNBSA-N 344.411 1.971 0 40 EDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCN(C(C)C)CC1 40500927 PAQCVXHJJXTJCJ-LGMDPLHJSA-N 340.431 1.532 0 40 EDAB O=C(CCN1CCC[C@@H](Cn2cncn2)C1)N1CCc2ccccc21 71877638 JBNQYKUEUKSCQO-MRXNPFEDSA-N 339.443 1.970 0 40 EDAB Cc1cccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1 486391 UEISUQSKOHDXLD-UHFFFAOYSA-N 349.437 1.769 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCc2sccc2C1 12213365 OVVDPXNNBWTEPU-UHFFFAOYSA-N 341.392 1.336 0 40 EDAB CSc1cc2c(cc1NC(=O)NCC(C)(C)C(N)=O)OCCO2 71854010 GMMGTDYLJXFHGN-UHFFFAOYSA-N 339.417 1.813 0 40 EDAB NC(=O)[C@@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)c1ccccc1 47065149 CJEOMSVCEWOAHJ-KRWDZBQOSA-N 335.363 1.413 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cnc2n(c1=O)CCS2 47005441 IEZJXSIGPKAREH-DGCLKSJQSA-N 337.445 1.674 0 40 EDAB COCc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1F 76054005 LAFYRAFLSDDWIZ-SUMWQHHRSA-N 336.407 1.765 0 40 EDAB COc1cc([C@H](C)[C@@H](C(=O)O)C(=O)C(=O)O)cc(OC)c1OC 1594998 DLBCTFGHLRLHQU-WRWORJQWSA-N 326.301 1.170 0 40 EDAB COc1cccc([C@@H](Nc2ccc3nnnn3n2)c2nccn2C)c1 22202793 XQPGTNWFQNCSGM-OAHLLOKOSA-N 336.359 1.463 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCn2c(nnc2C2CC2)C1 78787882 URKAKQCCBWWALT-CYBMUJFWSA-N 337.427 1.949 0 40 EDAB CC1(C)CN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1ccccc1 71823385 SHRZIMRBMFLPFZ-MRXNPFEDSA-N 336.457 1.327 0 40 EDAB C[C@@H]1CN(Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)C[C@@H](C)O1 22304069 HNCGDWIHIYWFCJ-GHMZBOCLSA-N 348.428 1.693 0 40 EDAB COc1ccc(CCNC(=O)CN(C)c2ncnc3[nH]cnc23)cc1 47403002 IPMIELNTNDNPAY-UHFFFAOYSA-N 340.387 1.157 0 40 EDAB C[C@H](OC(=O)c1ccn(C)c(=O)c1)C(=O)NC(=O)Nc1ccccc1 47485582 MFMUVBHYPSYGTE-NSHDSACASA-N 343.339 1.279 0 40 EDAB CNC(=O)c1ccc(CNC(=O)C[C@](C)(O)c2ccccc2)cc1 97058527 VKAKSDQDBNQPJL-IBGZPJMESA-N 326.396 1.960 0 40 EDAB CC(C)[C@H](C(=O)N1CCC[C@H](CS(N)(=O)=O)C1)N1CCCCC1 71896323 DVTKGWWBHDMGPA-LSDHHAIUSA-N 345.509 1.024 0 40 EDAB O=C(Cc1csc(-c2ccco2)n1)NCCc1nnc2n1CCC2 42502934 OWIWJFZBFAOANN-UHFFFAOYSA-N 343.412 1.842 0 40 EDAB Cc1ccccc1NC1=NN/C(=c2\ccc3c(c2)OC(=O)N=3)CS1 104981563 WQKDTHKRDCYROK-SDNWHVSQSA-N 338.392 1.955 0 40 EDAB CCOC(=O)N[C@H]1CCCN(Cn2ncc3ccccc3c2=O)C1 54518280 HVSOCVAYUDAYMI-AWEZNQCLSA-N 330.388 1.565 0 40 EDAB COc1ncccc1NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 47553821 OJWPLQGANBLTAZ-AWEZNQCLSA-N 339.355 1.149 0 40 EDAB O=C(CNC(=O)c1cn2ccccc2n1)Nc1ccc(F)c(F)c1 9314271 YAHWZYDQVSGFSO-UHFFFAOYSA-N 330.294 1.981 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)ccc1=O 106661744 WOEOWNBNCJKJQO-HZPDHXFCSA-N 333.432 1.194 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN([C@H](C)C(=O)NCc3ccco3)CCO2)n1 106667380 QYDYHFKTXJRXFU-WBVHZDCISA-N 346.431 1.499 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC3CC3)n(C)c2)C1 106726709 XITAHIMAOUSOLF-NSHDSACASA-N 325.434 1.338 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCOc1ccc2c(c1)CCC2 56009854 BVRCZHAVWNHEQK-DYVFJYSZSA-N 330.428 1.833 0 40 EDAB CCn1cnnc1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 47965911 WKWCAWYMCDJVRO-HNNXBMFYSA-N 328.420 1.372 0 40 EDAB CCCNC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57489569 FFENQRCBMCFOLW-UHFFFAOYSA-N 343.408 1.740 0 40 EDAB Cn1ncc2c(=O)c(C(=O)N3CCc4c(F)cccc4C3)c[nH]c21 97080477 SVZDXEDCPNTEQP-UHFFFAOYSA-N 326.331 1.599 0 40 EDAB CC(=O)N1CCN(C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CC1 58016508 UPMYUWRBGFUTRA-UHFFFAOYSA-N 331.351 1.019 0 40 EDAB Cn1cnc(C(=O)N2CCC3(CC2)CC(Nc2ncccn2)C3)c1 108534894 RAILHJRTVKGGIA-UHFFFAOYSA-N 326.404 1.707 0 40 EDAB CCc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCOC[C@@H]2C)o1 72298307 ASVDIMRGUWEACA-JSGCOSHPSA-N 328.434 1.944 0 40 EDAB COc1ccc(S(=O)(=O)C(F)(F)F)cc1NCC(=O)N(C)C 58344344 KLKWFYWYYWDRIP-UHFFFAOYSA-N 340.323 1.489 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)n1 72287476 WPWBHCIZYVLBCA-IUODEOHRSA-N 329.404 1.921 0 40 EDAB CN(C(=O)NCc1ccc(-c2ccn[nH]2)cc1)[C@H]1CCS(=O)(=O)C1 48261962 IIDBRECNVVJNKZ-AWEZNQCLSA-N 348.428 1.405 0 40 EDAB NC(=O)c1ccc(OCC(=O)NC[C@H](O)c2cccc(F)c2)cc1 58282994 MQGQBZHELZHAPT-HNNXBMFYSA-N 332.331 1.153 0 40 EDAB COc1ccc(N(C)C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cn1 58270190 IMBVOJLHBVOWFX-SECBINFHSA-N 331.294 1.464 0 40 EDAB Cc1cccc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)n1 58268455 OBTQXDZCEPNGCI-ZDUSSCGKSA-N 328.294 1.902 0 40 EDAB CCc1noc([C@H](C)N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1 58265813 OMZYUPZFHONJQN-LBPRGKRZSA-N 348.407 1.246 0 40 EDAB Cc1ccc(N2CCC[C@H](N(C)CCCS(C)(=O)=O)C2)nn1 72276693 PMUWUZIBMYKCOL-AWEZNQCLSA-N 326.466 1.120 0 40 EDAB CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 100634799 BGQRXMCVRTWFOQ-JTOWHCCKSA-N 329.352 1.545 0 40 EDAB O=C1CCOc2ccccc2N1CC(=O)N(C[C@H]1CCOC1)C1CC1 44941346 IQZLHNBWYXUKMG-CQSZACIVSA-N 344.411 1.830 0 40 EDAB Cc1[nH]c2c(C(=O)NC3CCN(CC(N)=O)CC3)cccc2c1C 44917531 WBTGLKPASJAMIX-UHFFFAOYSA-N 328.416 1.464 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1cc(F)ccc1F 44908975 JTLLDRQEBADWHX-SECBINFHSA-N 337.326 1.460 0 40 EDAB CC(=O)N1CCCN(C(=O)NC[C@H](C)Cn2nc(C)cc2C)CC1 44971718 QESSTXNPQCYFLW-ZDUSSCGKSA-N 335.452 1.400 0 40 EDAB OCCn1nccc1C1CCN(C[C@H](O)c2ccc(F)cc2)CC1 58381158 ZIQVGJCALIBMGI-SFHVURJKSA-N 333.407 1.928 0 40 EDAB CS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 58473438 ZOJREPZSUAQFGP-UONOGXRCSA-N 337.397 1.837 0 40 EDAB COc1c(CNCc2ccc(-n3ccnc3C)nc2)c(C)nn1C 58405208 WGMIMLAWTBDLRI-UHFFFAOYSA-N 326.404 1.916 0 40 EDAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(=O)NC2CC2)c1 22533594 XHDYYSHTSVTDGT-VIFPVBQESA-N 347.371 1.427 0 40 EDAB CCCc1noc(CS(=O)(=O)CC(=O)NC2CCCCC2)n1 58610600 NPEIIMNNZLEFCK-UHFFFAOYSA-N 329.422 1.386 0 40 EDAB CN(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c1ccccc1 66737010 ATVHCRSVYSUHFC-UHFFFAOYSA-N 344.502 1.955 0 40 EDAB CN(C)C(=O)COC(=O)c1ccccc1I 3330574 AYBAIHIIMBMHRG-UHFFFAOYSA-N 333.125 1.536 0 40 EDAB CN1C(=O)N[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C1=O 2492043 UXGBMDJGSNIYOF-CYBMUJFWSA-N 335.326 1.903 0 40 EDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccccc1 28914108 JZFSTJWXUSGRBK-INIZCTEOSA-N 345.399 1.190 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)NCc2cccnc2-n2ccnc2)C1 45897741 ZMSYADFLFZIASQ-OAHLLOKOSA-N 327.388 1.142 0 40 EDAB COc1ccc(CCNC(=O)N2CCC[C@@H](C(N)=O)C2)cc1OC 48312489 XCPMJJUUWPZMAP-CYBMUJFWSA-N 335.404 1.153 0 40 EDAB C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccncc1 29433668 LJWOKAZJFYSYNT-MLGOLLRUSA-N 337.383 1.379 0 40 EDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1cc(-c2ccccc2)no1 46112375 INGNDACPKJPQBS-NSHDSACASA-N 334.397 1.924 0 40 EDAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O 60374859 MTIXRLXSFSCYRY-ZDUSSCGKSA-N 329.809 1.693 0 40 EDAB CC[C@H](C)NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 2652799 PYEVMJJSZUGTRB-GTNSWQLSSA-N 331.372 1.131 0 40 EDAB Cc1noc(C)c1COC(=O)c1cc(S(N)(=O)=O)ccc1Cl 25200003 WTPQHVPDPZGHQQ-UHFFFAOYSA-N 344.776 1.949 0 40 EDAB COc1ccccc1NC(=O)CN1C[C@H](C(N)=O)Oc2ccccc21 13095261 SLHFAQWGHHAXBI-MRXNPFEDSA-N 341.367 1.387 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cnc(C)s2)cc1 63474728 DSRJAVCYJZCOBS-UHFFFAOYSA-N 339.442 1.468 0 40 EDAB Cc1cc(=O)oc2c3c(ccc12)OCN([C@@]1(C)CCS(=O)(=O)C1)C3 13628086 PYTIOBVZGYPBJQ-KRWDZBQOSA-N 349.408 1.831 0 40 EDAB CCN(CC)CC1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 71924097 KOMBEPWTQQGVKC-HUUCEWRRSA-N 347.525 1.394 0 40 EDAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)N1CCCCC1 71916533 GCLDDJASIFBGMO-UHFFFAOYSA-N 327.406 1.796 0 40 EDAB CCN1CCN(c2ccc(C(=O)NCCc3nc(C)no3)cc2)CC1 71905729 HIKOFZIOJGDOIZ-UHFFFAOYSA-N 343.431 1.492 0 40 EDAB O=C(COc1ccc2ccc(=O)oc2c1)NCCCn1ccnc1 5208042 ZGUGIEKKIWACOP-UHFFFAOYSA-N 327.340 1.575 0 40 EDAB biogenic CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc(NC(C)=O)ccc1C 65488938 UXSKUZCZUZYYLF-CYBMUJFWSA-N 341.477 1.962 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C 65562775 ULPDZVKXPUDVRI-NEPJUHHUSA-N 343.493 1.355 0 40 EDAB C[C@@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 6498718 KWACBRFSHOJVQY-LLVKDONJSA-N 331.420 1.223 0 40 EDAB CN(C(=O)COc1ccc(Cl)cc1)[C@]1(C)CCS(=O)(=O)C1 4505166 XMNOTCWKYDDDHT-CQSZACIVSA-N 331.821 1.754 0 40 EDAB CCN(C(=O)COc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 4504773 LDRXHGGQKQYUNQ-LBPRGKRZSA-N 331.821 1.754 0 40 EDAB CC(=O)Nc1ccc(C(=O)COc2cccc(-n3cnnn3)c2)cc1 6786216 QWKMJWVKFGAYPY-UHFFFAOYSA-N 337.339 1.882 0 40 EDAB Cn1cc(CNCC(C)(C)NS(C)(=O)=O)c(C2CCCCC2)n1 96010134 OWDPHTUNGVSSEP-UHFFFAOYSA-N 342.509 1.885 0 40 EDAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccccc1-n1cnnn1 4882234 ZJVXYBKWOXPJPG-UHFFFAOYSA-N 349.306 1.073 0 40 EDAB Cc1cc(C)n(CC(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)n1 96004820 ULIHUVBVPXLNIF-UHFFFAOYSA-N 328.351 1.987 0 40 EDAB CC(C)Cc1nc(CN2C(=O)c3ccccc3CS2(=O)=O)no1 67099355 HYGRLBPGWCPJQO-UHFFFAOYSA-N 335.385 1.754 0 40 EDAB CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCN(C(C)C)C1 67557080 DJAABXPWVTUKRN-ZDUSSCGKSA-N 337.395 1.762 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1 7307249 PACVFYGMMNBLLY-HNNXBMFYSA-N 346.408 1.745 0 40 EDAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCNC(=O)C1 7420582 XZNTZJJHKULVDR-VIFPVBQESA-N 326.194 1.208 0 40 EDAB CC(C)N1C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)CC1=O 7453067 GHLZRFVJXQFNOM-AWEZNQCLSA-N 333.407 1.731 0 40 EDAB COC[C@H](C)N1C[C@H](C(=O)Nc2nc3c(s2)CCCC3)CC1=O 8235296 ZBPQXPYKINDJNC-WDEREUQCSA-N 337.445 1.844 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)Oc2cccc(C(=O)NCCO)c2)no1 70039676 KBFZFJDFBHFKIF-LLVKDONJSA-N 333.344 1.111 0 40 EDAB Cc1cc(C)nc(SCC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)n1 70003668 AGTZZZAQJROYCF-ZIAGYGMSSA-N 338.477 1.411 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C[C@@H]1c1ccccc1 69329372 QSIFFNNSJZJPMJ-NVXWUHKLSA-N 329.444 1.951 0 40 EDAB C[C@H]1CN(Cc2nnc(C3CC3)n2C)CCN1Cc1nccn1C 69463566 ISHTYICXDNQOKL-ZDUSSCGKSA-N 329.452 1.132 0 40 EDAB COC[C@@H](C)NC(=O)NC[C@@H](O)COc1cccc2ccccc12 69416663 ZEGKNXBPLSHNIF-UKRRQHHQSA-N 332.400 1.914 0 40 EDAB COC(=O)CNC(=O)c1ccc(NC(=O)N2CCC[C@H](OC)C2)cc1 69538351 ILYSVUWHJOMNEI-AWEZNQCLSA-N 349.387 1.232 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2[C@@H](C)C(=O)NC[C@@H]2CCCO2)n1 69632894 HLYCKFQHHFIELK-RCBQFDQVSA-N 335.452 1.043 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 83612797 UHHGEZWWROJIDQ-SNVBAGLBSA-N 344.742 1.609 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@@H](n3ccnc3C)C2)ccc1=O 69740773 KMCCXYOWUVHQTA-CQSZACIVSA-N 329.404 1.636 0 40 EDAB COc1ccc(CNC(=O)NCc2cc(C)on2)cc1NC(C)=O 69737906 PFUMMXWWNKYINA-UHFFFAOYSA-N 332.360 1.949 0 40 EDAB Cn1ccnc1CCNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C 69778758 HWQCPFDJJLSYEX-CYBMUJFWSA-N 336.436 1.868 0 40 EDAB C[C@H](C(=O)NCc1nc(C2CC2)no1)n1nnc(-c2ccccc2)n1 96430754 MFCLWEXRHFQMFN-SNVBAGLBSA-N 339.359 1.478 0 40 EDAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 69971986 DRHJDMNEWQHXEB-JKSUJKDBSA-N 335.492 1.872 0 40 EDAB CN(CC(=O)NC(c1ccccc1)c1ccccc1)S(C)(=O)=O 22606690 JVBZQUWFKXVZHB-UHFFFAOYSA-N 332.425 1.784 0 40 EDAB O=C(CN1CCN(C(=O)Nc2cccc3[nH]ccc23)CC1)NC1CC1 71803371 RHAMINAHTLDHML-UHFFFAOYSA-N 341.415 1.596 0 40 EDAB Cc1ncsc1CCSc1nnc(C2CCOCC2)n1N 72302581 IDTFTWXOWBEGAP-UHFFFAOYSA-N 325.463 1.986 0 40 EDAB CC[C@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@@H]1N1CCOCC1 84736115 XPYHDYCUKQAGII-BBRMVZONSA-N 330.432 1.537 0 40 EDAB Cc1nncn1-c1cccc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)c1 97230826 NVWGMDUVJIGTFT-INIZCTEOSA-N 339.399 1.915 0 40 EDAB C[C@H]1CN=C(N2CCN(Cc3nnc(-c4ccco4)o3)CC2)S1 84715281 YSLHXXSSLOEWHU-NSHDSACASA-N 333.417 1.939 0 40 EDAB CCN1CCO[C@@H](C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1 95417387 ULJOCELMWXJILC-UONOGXRCSA-N 346.349 1.576 0 40 EDAB Cc1sc(C(N)=O)cc1S(=O)(=O)N(C)Cc1nccs1 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1.452 0 40 EDAB Cc1ccc(Oc2cc(CNC(=O)[C@H]3CNC(=O)N3)ccn2)cc1C 89643239 ALWGIEABJIRSKL-OAHLLOKOSA-N 340.383 1.788 0 40 EDAB O=C(Nc1nncs1)c1ccc(N2CCN(CC3CC3)CC2)nc1 89794208 IZJOIRXTPHOAIO-UHFFFAOYSA-N 344.444 1.717 0 40 EDAB COc1c(C(=O)NC[C@]2(O)CCCc3ccccc32)c(C)nn1C 75213403 AUYRGTCOMUIZRT-GOSISDBHSA-N 329.400 1.691 0 40 EDAB Cc1nc(CN2CCCN(CC(=O)NCc3ccccc3)CC2)no1 75603133 BCAHKRSWDFYGLB-UHFFFAOYSA-N 343.431 1.202 0 40 EDAB CC[C@H](CO)N1CCN([C@H](C)c2nnnn2-c2ccccc2)CC1 75961908 BAIBXGYXTRVKMX-HUUCEWRRSA-N 330.436 1.112 0 40 EDAB O=C1NC(=O)/C(=C\c2cc(Br)c(Br)o2)N1 408917932 CVMNIMZXOSQCKK-GORDUTHDSA-N 335.939 1.985 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NCCSC(C)(C)C)c1 66739721 OZHCCKHRIGLGNN-UHFFFAOYSA-N 330.475 1.856 0 40 EDAB COC(=O)COc1c(/C=C2/SC(=O)N(C)C2=O)cccc1OC 408536098 YDBXTSMLQDJKCS-YRNVUSSQSA-N 337.353 1.913 0 40 EDAB COc1ccc([C@@H]2[C@H](C(C)=O)[C@@](C)(O)CC(=O)[C@H]2C(C)=O)cc1OC 36043069 ISBHDKJASSZWAM-XWSJACJDSA-N 348.395 1.922 0 40 EDAB COCCCNC(=O)c1nc(-c2ccc(Cn3ccnc3)cc2)no1 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1.744 0 40 EDAB O=C(c1ccccn1)N1CCOC[C@]2(CC[C@@H](CN3CCCC3)O2)C1 96063374 TZPHTPMSNRLDIS-LPHOPBHVSA-N 345.443 1.568 0 40 EDAB CN(C)c1nccc(N2CCN([C@H]3Cc4ccccc4[C@@H]3O)CC2)n1 96493072 GKHNYDUKTOCBKU-WMZOPIPTSA-N 339.443 1.323 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 247857389 LAJQYPPLZYQCJK-ZDUSSCGKSA-N 344.346 1.463 0 40 EDAB O=C(CCCn1cccn1)N1C[C@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2 524730300 DTQPWOFVBSZEMJ-OAGGEKHMSA-N 330.432 1.523 0 40 EDAB CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H]2CCc2ccncc2)C1=O 257301992 SAXHASJQKWCZCU-CQSZACIVSA-N 344.415 1.336 0 40 EDAB Cc1cc(OC(=O)[C@H](C)[C@H](O)[C@@](C)(CO)C(=O)O)cc(C)c1Cl 253377634 XRWNNYSQAUNBGV-AKWBHNSASA-N 344.791 1.942 0 40 EDAB CCc1nccn1CC(=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257207784 BJFMPLKGQNJWKU-GPMSIDNRSA-N 343.427 1.923 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2[C@@H](CC[C@H]2Nc2cnccn2)C1 257326028 WVMBKQARAVOVLI-NUEKZKHPSA-N 340.431 1.708 0 40 EDAB COCC(=O)N[C@@H]1CN(Cc2ccc3cc(OC)ccc3c2)C[C@H]1O 257291003 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SECFIOHQXFLWIM-MRXNPFEDSA-N 327.388 1.278 0 40 EDAB CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 279130813 YBXPJUQOCBCZPU-HZPDHXFCSA-N 345.447 1.257 0 40 EDAB O=C(NCC1CCOCC1)[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575403310 HCCZTTOWCFPHBM-MRXNPFEDSA-N 346.431 1.109 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CCn2nccc2CN1CC1CCC1 585096772 CPJOCXRWOXGCFB-AWEZNQCLSA-N 326.466 1.197 0 40 EDAB CO[C@H]1CN(Cc2cnn3c(C)cc(C)nc23)C[C@H]1CC(=O)N(C)C 585279059 SEPFASUXCQVWJX-ZBFHGGJFSA-N 345.447 1.271 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)C[C@H]1CCCC(F)(F)C1 585139887 WEKKUPNQQXBRON-NSHDSACASA-N 326.409 1.600 0 40 EDAB CC(C)C(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@H]1C 585096268 DNWHQNZXQAWCJC-GFCCVEGCSA-N 330.388 1.965 0 40 EDAB CO[C@@]1(COc2ccccc2C)CCN(CC(=O)N2CCOCC2)C1 585277964 YRAUESOFFOZGML-IBGZPJMESA-N 348.443 1.324 0 40 EDAB CC(=O)N1CCN(CC(=O)Nc2nc3ccc(F)cc3s2)CC1 65566285 SQTUHNXBAKROJS-UHFFFAOYSA-N 336.392 1.538 0 40 EDAB COCCNC(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C 69948183 KCWOCCAPPUKYJE-UHFFFAOYSA-N 337.445 1.952 0 40 EDAB O=C(CN1CCOCC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 45468795 DSXYUOBRZORKPN-HNNXBMFYSA-N 332.400 1.454 0 40 EDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1c(F)cccc1F 47636331 YSTKTUJRWNWSFM-WFASDCNBSA-N 340.370 1.432 0 40 EDAB O=S(=O)(CCC(F)(F)F)NC[C@@]1(O)CCCc2occc21 1565522147 JDWMSFBNAHHFAL-NSHDSACASA-N 327.324 1.675 0 40 EDAB C[C@@H](N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(F)(F)F 96454024 TVQQMJSWRQNPLQ-SECBINFHSA-N 327.328 1.073 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(c2cc(C(C)C)nc(C(C)C)n2)C1 90138923 RRXHBIJUQZZDHF-GFCCVEGCSA-N 326.466 1.851 0 40 EDAB CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1cnn(-c2ccccc2F)c1 84456513 GMQVNVGQDICITQ-HNNXBMFYSA-N 345.378 2.000 0 40 EDAB COc1ccc(CN2C[C@@H]3OCCN(C)[C@H]3C2)c(Cl)c1OC 93642392 REZBAIAZZHHKPS-JSGCOSHPSA-N 326.824 1.872 0 40 EDAB CN=[S@](C)(=O)c1cccc(NS(=O)(=O)c2cnn(C)c2)c1 585119144 TVSSPRYICNSYCI-HXUWFJFHSA-N 328.419 1.307 0 40 EDAB COC(=O)/C=C(\Sc1nc(Cl)c(Cl)nc1N)C(=O)OC 17142080 YIDYFTZJTRJQEM-ARJAWSKDSA-N 338.172 1.688 0 40 EDAB Cc1cccc(Nc2nc(NCCO)nc(N3CCOCC3)n2)c1 5007269 HWSDEDHTXCICDP-UHFFFAOYSA-N 330.392 1.164 0 40 EDAB CCCNC(=O)COC(=O)c1nn(CC(C)C)c(=O)c2ccccc12 5102701 XOFYVAHZXLIWIA-UHFFFAOYSA-N 345.399 1.736 0 40 EDAB O=S(=O)(c1ccn(S(=O)(=O)c2ccccc2)c1)N1CCCC1 13585776 CHMSWHGMAFLJSB-UHFFFAOYSA-N 340.426 1.510 0 40 EDAB COc1cccc(C(=O)NCCS(=O)(=O)N2CCC[C@H](C)C2)c1 5272930 OCTRQFGMQBXTJZ-ZDUSSCGKSA-N 340.445 1.487 0 40 EDAB COc1ccccc1CNC(=O)Cn1nnc(-c2cccs2)n1 15555104 QQVIEQBVCVYVME-UHFFFAOYSA-N 329.385 1.727 0 40 EDAB CC(=O)N1C[C@@H](NS(=O)(=O)CC2CC2)CC[C@@H]1C(F)(F)F 583616406 NWOWZRRLDGJVHJ-WDEREUQCSA-N 328.356 1.258 0 40 EDAB CN1c2ccc(NC(=O)NC3CCOCC3)cc2N(C)S1(=O)=O 390831502 SENVPYXOHHCBNP-UHFFFAOYSA-N 340.405 1.118 0 40 EDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)C5CCCC5)C[C@@H]4C3)nn12 1888844591 MBUTVEPGMOLGRJ-GJZGRUSLSA-N 340.431 1.518 0 40 EDAB O=C(NC1CC1)[C@H]1CN(Cc2ccc(Br)cc2)CCO1 1889098075 HKURZSZOHBLNBK-CQSZACIVSA-N 339.233 1.929 0 40 EDAB CCCOc1ccccc1CN1CCO[C@@]2(COCC(=O)N(C)C2)C1 2037984356 YHFBOZHGLKYGRO-LJQANCHMSA-N 348.443 1.535 0 40 EDAB CCOC(=O)CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 4558180 RCCMNJULOCRUML-RVDMUPIBSA-N 342.351 1.730 0 40 EDAB CC1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 5153557 UOBGVHDWDQOWEA-UHFFFAOYSA-N 334.441 1.943 0 40 EDAB Cc1ccc(Cn2c(=O)c3c(nc4[nH]c(C)c(C)n43)n(C)c2=O)cc1 8709887 ONVXPOQPYLUNRB-UHFFFAOYSA-N 337.383 1.650 0 40 EDAB Cc1noc(C)c1C(=O)N1CCC(C(=O)N(C)C)(n2cccn2)CC1 2055772742 WNZRHHSBSMTHCS-UHFFFAOYSA-N 345.403 1.208 0 40 EDAB O=C([C@H]1CCOC1)N1CCC[C@]2(CC1)CN(Cc1ccoc1)CCO2 2055785452 LEDHATZZAOZJJN-HKUYNNGSSA-N 348.443 1.900 0 40 EDAB CCc1ccc(C(=O)N2CC[C@H]3OC[C@@H](C(=O)N(C)C)C[C@H]3C2)cn1 2055732392 GUUYXRNCCVWARS-YQQAZPJKSA-N 345.443 1.599 0 40 EDAB Cn1ccc2cc(C(=O)N3C[C@H]4CCN(S(C)(=O)=O)[C@H]4C3)ccc21 2055771836 DJOMNYRCBMRAIZ-ZBFHGGJFSA-N 347.440 1.284 0 40 EDAB CC(C)NC(=O)c1noc2c1C[C@H](NC(=O)C1CC(F)(F)C1)CC2 2055772272 PWZZCCYRQVQCRY-SNVBAGLBSA-N 341.358 1.832 0 40 EDAB O=C(NCC1CC1)C1(n2cccn2)CCN(Cc2cccnc2)CC1 2055772797 GBYJAQFBXBFFHM-UHFFFAOYSA-N 339.443 1.796 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H](Oc2ncccn2)C1 575613553 RUZVDHZFUFBCDE-AWEZNQCLSA-N 341.367 1.818 0 40 EDAB Cc1cc2c(cc1NC(=O)[C@H]1CCOC1)N(C)S(=O)(=O)N2C 575614037 ZPVLJCRBMNHQQK-JTQLQIEISA-N 325.390 1.101 0 40 EDAB O=C(NCCn1nc(C2CC2)ccc1=O)c1ccc2c(c1)OCO2 575619933 NGGRLFZOLUVMOF-UHFFFAOYSA-N 327.340 1.279 0 40 EDAB CN(Cc1ccc(F)cc1F)C(=O)c1cnc2n(c1=O)CCS2 31048553 IVSRBWGGDBOJGA-UHFFFAOYSA-N 337.351 1.899 0 40 EDAB C[C@H](NC(N)=O)C(=O)NCc1cccc(OCc2ccccn2)c1 40529394 FYHVCADBBDQEED-LBPRGKRZSA-N 328.372 1.334 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)NCCN3CCCC[C@@H]3C)cnc12 40535713 KSLRGYOPXDSBNC-HNNXBMFYSA-N 342.443 1.696 0 40 EDAB CCC(NCCc1c[nH]c2ccccc12)=C1C(=O)NC(=O)NC1=O 101062845 NCJIEKYVIXUTRT-UHFFFAOYSA-N 326.356 1.330 0 40 EDAB CCOC(=O)c1c[nH]n(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)c1=N 101142412 BDWJTUVRNIJWEA-ZDUSSCGKSA-N 346.431 1.992 0 40 EDAB CCOC(=O)c1[nH]c(C)c(C(=O)NCCCN2CCOCC2)c1C 20861093 MEILFBWAODSFRD-UHFFFAOYSA-N 337.420 1.260 0 40 EDAB CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 32780723 WSTFHLHFNHRYPM-OAHLLOKOSA-N 333.413 1.191 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 41164771 LREKQMWRVOSEMW-ZDUSSCGKSA-N 336.457 1.577 0 40 EDAB Cc1ccc(-c2nc(C)sc2CC(=O)N2CCNC(=O)C2)cc1 33019828 STQYKFJATCHPKO-UHFFFAOYSA-N 329.425 1.928 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 479582 KYWYHCHDERNFBT-BXUZGUMPSA-N 326.418 1.881 0 40 EDAB C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1C[C@H]2CC[C@H]1C2 103154532 FHJCMIABCTVYDC-NZBPQXDJSA-N 328.478 1.599 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)NCc1ccc(Oc2ccccc2)nc1 78789844 FBANGYBQOAEGRG-CYBMUJFWSA-N 340.383 1.904 0 40 EDAB Cc1nc(C)c(CNC(=O)NC[C@@H](C)N2CCOC[C@@H]2C)s1 78942288 LHGFYQKBMHCQOV-MNOVXSKESA-N 326.466 1.668 0 40 EDAB CC(C)[C@H](NC1CCOCC1)C(=O)NCC1(O)CCCCCC1 78997783 CFTWMKWBBOOGAB-INIZCTEOSA-N 326.481 1.981 0 40 EDAB COCCn1cc(NC(=O)N2CCNC(=O)[C@H]2c2cccs2)cn1 78933254 LIPOLBPIDXPEPO-CYBMUJFWSA-N 349.416 1.296 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1c(C)noc1C 22531392 WQDZOVXLVDHYOL-CQSZACIVSA-N 349.412 1.153 0 40 EDAB COCCNC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 3392175 SYSSSKKHOWOONH-UHFFFAOYSA-N 332.429 1.999 0 40 EDAB CCNC(=S)N(CCO)Cc1cc2cc(CC)ccc2[nH]c1=O 4131970 RSZRZIMWXIUTCP-UHFFFAOYSA-N 333.457 1.779 0 40 EDAB O=C(NCc1nncn1-c1ccccc1)[C@H]1CC(=O)N(CC2CC2)C1 42496616 OOVWTJPQQHJWAG-AWEZNQCLSA-N 339.399 1.142 0 40 EDAB COc1ccc(NC(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1 23235243 VCIMYFWYMRVYRY-UHFFFAOYSA-N 348.403 1.297 0 40 EDAB CN(C)C(=O)N[C@@H]1CCOC2(CCN(Cc3cnn(C)c3)CC2)C1 108525350 FHLJGFAIWNYEPL-OAHLLOKOSA-N 335.452 1.205 0 40 EDAB CC(C)[C@@H](C(=O)N(C)C1CCS(=O)CC1)N1C[C@@H](C)O[C@H](C)C1 72297894 OZTXSULHRQAAFI-RIHMTCKJSA-N 344.521 1.490 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)CC1 42565577 BJJXGPNVTDUYHX-HOTGVXAUSA-N 349.475 1.525 0 40 EDAB CCNC(=O)c1cccc(CNC(=O)[C@H](CC)N2CCCC2=O)c1 72296009 QQDPBHWZELILPJ-HNNXBMFYSA-N 331.416 1.454 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCC(c3nncn3C)CC2)cc1 24690678 UITMGPUACXGBND-UHFFFAOYSA-N 328.372 1.622 0 40 EDAB COCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 55308495 LDZZIXNYYUMKOQ-MRXNPFEDSA-N 347.459 1.455 0 40 EDAB CN1N[C@@H](c2cccs2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 101130130 ZIEJQJNYJCOWCB-ILXRZTDVSA-N 327.409 1.793 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(CCO[C@H]3CCCC[C@H]3C)C2)C1=O 107354378 MZUSIXLBNRBPKO-VKJFTORMSA-N 337.464 1.986 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCCCNC1=O 56977164 VXDLGNTZMKNPLB-CYBMUJFWSA-N 338.429 1.267 0 40 EDAB CC(C)NC(=O)CN1CCCN(c2nccc(C(F)(F)F)n2)CC1 26706038 GLXBCBFASOMKAX-UHFFFAOYSA-N 345.369 1.532 0 40 EDAB CCCc1nnc(S)n1CC(=O)NCCN(C(C)C)C(C)C 27457816 UEFFUGBHEOPSGZ-UHFFFAOYSA-N 327.498 1.754 0 40 EDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCc1ccco1 48263112 LGATZJJYNUXZPA-UHFFFAOYSA-N 348.380 1.173 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc2cc(Cl)ccc2[nH]1 44724536 PTBYIOUXPQXDMF-SECBINFHSA-N 326.805 1.986 0 40 EDAB C[C@]1(CNC(=O)N2CCNC(=O)CC2)CCCN1Cc1ccccc1 119635475 UQURRYLTPXIYTB-LJQANCHMSA-N 344.459 1.573 0 40 EDAB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(C)on3)CC2)nc1 58166640 GUWRBNRLRWUOMS-UHFFFAOYSA-N 344.371 1.517 0 40 EDAB CCCn1c(N)c(C(=O)CN(C)Cc2ccccc2C)c(=O)[nH]c1=O 58121549 XJVVUPRQCJWLNX-UHFFFAOYSA-N 344.415 1.152 0 40 EDAB CN(C)C(=O)c1cccc(CSc2nnnn2C[C@@H]2CCCO2)c1 58158889 LKVAQTLXLDOZRE-AWEZNQCLSA-N 347.444 1.846 0 40 EDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(Cc2ccccc2)CC1 22804470 BHDMBBGWOFSURG-QZTJIDSGSA-N 339.439 1.713 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)Cn1cccn1)N1CCCC1 44896909 AXNALBQSGVITKI-MRXNPFEDSA-N 328.416 1.845 0 40 EDAB O=C1C[C@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccc(F)cc1 58201590 LGVQEIANXDGBIA-WBMJQRKESA-N 339.388 1.448 0 40 EDAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CC(=O)n1nnc2ccccc21 101530936 OCDCWSPHXVTQDJ-CPCNMJHFSA-N 348.362 1.125 0 40 EDAB CCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)cc1 22274418 ATHBHALXAWGFQG-UHFFFAOYSA-N 334.397 1.766 0 40 EDAB CN(Cc1ccncc1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 44971741 RQAHWINBYSMJHM-OAHLLOKOSA-N 326.404 1.682 0 40 EDAB COc1ccc([C@@H](C)NC(=O)N[C@H]2CCCCNC2=O)c(OC)c1 44968100 YBWNJZFBGGKWOJ-RISCZKNCSA-N 335.404 1.733 0 40 EDAB COc1ccc(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 58394054 JJQULZLBBLYUFJ-QGZVFWFLSA-N 345.443 1.178 0 40 EDAB O=C(NCCC(=O)N1CCCCC1)c1ccc(N2CCOCC2)cc1 58428654 GWHDLLXSGIPSEH-UHFFFAOYSA-N 345.443 1.656 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 20110453 UZYLKZOHTVWYAD-UHFFFAOYSA-N 326.418 1.853 0 40 EDAB CN(CCC(=O)O)C(=O)COc1ccc(Br)cc1F 37931668 RDGLZTZWUDUZBI-UHFFFAOYSA-N 334.141 1.900 0 40 EDAB COc1ccccc1CN(C)C(=O)CCc1n[nH]c(=S)[nH]c1=O 11239876 UDEYATAPROMCAL-UHFFFAOYSA-N 334.401 1.427 0 40 EDAB O=C(N[C@]1(C(F)(F)F)N=C2SCCN2C1=O)c1cccs1 2487751 UCXJIFAATPSRCR-JTQLQIEISA-N 335.332 1.682 0 40 EDAB Cc1cccc(OC[C@@H](O)CNCCc2nnc3ccccn23)c1 48354987 QOJYLJRYFLKBSF-HNNXBMFYSA-N 326.400 1.610 0 40 EDAB C[C@@](O)(CNC(=O)c1ccc2ccccc2n1)CN1CCOCC1 72306611 KUBOVXCLDPHJEG-GOSISDBHSA-N 329.400 1.048 0 40 EDAB CCCc1nnc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)s1 12881915 KMCURXMIQAGURF-UHFFFAOYSA-N 345.384 1.133 0 40 EDAB CCN(C(=O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1)C1=CCCC1 12882267 RTGRYEJUABLOHJ-UHFFFAOYSA-N 340.387 1.355 0 40 EDAB O=S(=O)(c1ccc(F)cc1)N1CCCN(C[C@@H]2CCCO2)CC1 13047785 YCJYBQJPTMGYDS-HNNXBMFYSA-N 342.436 1.701 0 40 EDAB Cc1nnc2n1CCN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)C2 71186479 XRAXVLOMNBSNCO-UHFFFAOYSA-N 346.334 1.900 0 40 EDAB CCCN(Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 63994416 VTPBDZZNFOTJTD-CQSZACIVSA-N 325.430 1.857 0 40 EDAB CN1C(=O)/C(=C2/C[C@H](c3ccc(Cl)cc3)NN2)C(=O)NC1=S 13551135 KNMSBXKWCHUDLA-ZAGORRGESA-N 336.804 1.006 0 40 EDAB CN(C)c1ccccc1CN1CCN(C(=O)c2cnccn2)CC1 72597351 YQSCDFSSFPNIHD-UHFFFAOYSA-N 325.416 1.501 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)NC[C@H]1Cc2ccccc2O1 65400208 DAADXYNNQFVFFG-CQSZACIVSA-N 341.415 1.807 0 40 EDAB COc1ccc(CCCNC(=O)N2CC[C@@H](C(N)=O)C2)cc1OC 65493581 HJYQQSMAPUMIOZ-CYBMUJFWSA-N 335.404 1.153 0 40 EDAB CC(=O)N1CCCN(C(=O)C2(c3ccccc3)CCNCC2)CC1 65517974 BECFOQXVOXBDIW-UHFFFAOYSA-N 329.444 1.389 0 40 EDAB CNC(=O)C1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1 65568270 JQLJJLYJDVOKRU-AWEZNQCLSA-N 338.477 1.518 0 40 EDAB N=c1sccn1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 4507944 LPDSVNCXLAQJPK-UHFFFAOYSA-N 334.357 1.149 0 40 EDAB Cc1csc2nc(Cn3c(-c4ccccc4)noc3=O)cc(=O)n12 65723023 QVAWJXUVUHGEIQ-UHFFFAOYSA-N 340.364 1.929 0 40 EDAB COc1ccc(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 14328423 FWTXFRJGAQDDEV-UHFFFAOYSA-N 338.371 1.627 0 40 EDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccccc2OC)CC1 6627631 SRHLSJDWIYXAHU-UHFFFAOYSA-N 327.402 1.659 0 40 EDAB Cn1ccnc1SCC(=O)c1ccc(NS(C)(=O)=O)cc1 6654120 OAKZKWMMVLYPOU-UHFFFAOYSA-N 325.415 1.767 0 40 EDAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc2c(c1)OCO2 6652314 UNEBMJAXTIVDHR-UHFFFAOYSA-N 339.311 1.409 0 40 EDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 6672042 HELXYPGMKVRZNH-WDEREUQCSA-N 340.426 1.510 0 40 EDAB c1nc(N2CCOCC2)cc(N2CCN(Cc3ccsc3)CC2)n1 93562129 YUNMJMLUNWJKPK-UHFFFAOYSA-N 345.472 1.697 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CS(=O)(=O)c1ccc(F)c(F)c1 66206146 OBEPSWXOWLSKEM-UHFFFAOYSA-N 343.355 1.131 0 40 EDAB CNC(=O)NC(=O)[C@H](C)OC(=O)CCC(=O)c1ccc(Cl)cc1 5616288 UUQZGXZAXWZREA-VIFPVBQESA-N 340.763 1.690 0 40 EDAB Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@@]4(CCOC4)C3)C2=O)cc1 84150576 BPXIVNUUXZPQPE-QFBILLFUSA-N 328.412 1.987 0 40 EDAB CN1C[C@@H](C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)CC1=O 66770443 BOKHMTAHOAQBJU-GXTWGEPZSA-N 330.384 1.600 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c1 97021218 QBOTZZOCJVOTAF-AWEZNQCLSA-N 336.417 1.701 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@H](Cc3nccn3C)C2)n(C)n1 90003437 BXHQSKLAAZPVOV-CQSZACIVSA-N 330.436 1.355 0 40 EDAB Cc1cccc(NC[C@@H]2CCN(c3nc4[nH]ncc4c(=O)[nH]3)C2)n1 97097204 OHCIGAHMVYDRJX-NSHDSACASA-N 325.376 1.288 0 40 EDAB CCOC(=O)c1ccc(NC(=O)CSc2cnnc(O)n2)cc1 15831112 QJDOFFZQJKNPTF-UHFFFAOYSA-N 334.357 1.485 0 40 EDAB O=C1OCCN1CCN1CCN(C(=O)c2cccc(Cl)c2)CC1 71796181 UQZGOADIRCUDNG-UHFFFAOYSA-N 337.807 1.550 0 40 EDAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@@H](C)CN1CCOCC1 96490554 RITYYAOHALSFSK-CJNGLKHVSA-N 349.479 1.841 0 40 EDAB CCCn1nnnc1CN1CCN(C(=O)Nc2cccc(C)c2)CC1 96414851 YMLSUBTXALLVEF-UHFFFAOYSA-N 343.435 1.741 0 40 EDAB CCOC(=O)C1CCN(CC(=O)Nc2ccccc2C(=O)OC)CC1 7812314 BTSMHHNCAJMDPX-UHFFFAOYSA-N 348.399 1.687 0 40 EDAB CCCCNC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209391 RGGBIBOURDYCNR-CQSZACIVSA-N 338.429 1.591 0 40 EDAB Nc1nccnc1C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 71898103 JOYFHBYLTLSGRS-NSHDSACASA-N 347.369 1.731 0 40 EDAB CN1CC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1=O 71821302 DFXZMJGMBBBYIU-ZDUSSCGKSA-N 335.835 1.857 0 40 EDAB COc1cccc(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)c1 70007471 YTSQEEFKOCEHBE-UHFFFAOYSA-N 349.408 1.908 0 40 EDAB CN(CC(=O)NCC1CC1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 71870812 LWFCVPRXIUJFLE-HNNXBMFYSA-N 347.463 1.369 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2nccn2CC(F)(F)F)CC1 69329714 CFTZWRFDJYYVQS-GFCCVEGCSA-N 334.386 1.628 0 40 EDAB CN(C)C[C@@H]1CCCCN1C(=O)CCc1nc2ccccc2c(=O)[nH]1 69347600 HAYKHEXOGMNWHX-AWEZNQCLSA-N 342.443 1.798 0 40 EDAB CCc1nnc(CN2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)o1 69415321 FZGSKCDRFHVRIC-NSHDSACASA-N 332.408 1.771 0 40 EDAB C[C@@H]1CN(Cc2nc(-c3ccco3)no2)CCN1Cc1nccn1C 69443024 ZVNDQARHXUMZOO-CYBMUJFWSA-N 342.403 1.769 0 40 EDAB Cc1cccn2c(=O)cc(CN3Cc4ccccc4C[C@@H]3C(N)=O)nc12 71834783 RZDSDXOTINLXGS-QGZVFWFLSA-N 348.406 1.415 0 40 EDAB Cc1ccc(-c2ccc(C(=O)NCCS(N)(=O)=O)c(F)c2)cc1 69563597 JCIFDRUMILLQLH-UHFFFAOYSA-N 336.388 1.819 0 40 EDAB CCOC(=O)NCCC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 69533312 ZURDIJIDQYXSPA-CQSZACIVSA-N 337.420 1.977 0 40 EDAB CCN1CCN(C2CCN(CC(=O)Nc3cc(C)on3)CC2)C1=O 69571208 PBXOKJUFWUVRGB-UHFFFAOYSA-N 335.408 1.143 0 40 EDAB Cc1ccc(C(=O)N2CCN(Cc3cnc4cnccn34)CC2)cc1 97050885 PDWDIHAJFUJMIM-UHFFFAOYSA-N 335.411 1.996 0 40 EDAB CCOc1cc(C(=O)N2CCO[C@@H](c3nc(CC)n[nH]3)C2)ccn1 83830027 SSXHQZJDFCBGKB-GFCCVEGCSA-N 331.376 1.375 0 40 EDAB CN1C(=O)C[C@H](CNC(=O)Nc2cnn(C)c2)[C@H]1c1ccccc1 97056361 YKUSYSNMZYWGFR-CZUORRHYSA-N 327.388 1.761 0 40 EDAB Cc1ccncc1NC(=O)C(=O)NCc1cn2cc(Cl)ccc2n1 69615460 SRMQCRQQHWXWQP-UHFFFAOYSA-N 343.774 1.946 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1C 69744641 AGZLWLXGGJOOET-MNOVXSKESA-N 344.433 1.312 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC[C@H](Cn2cncn2)C1 69818368 AKSYTIQXCFLNST-GJZGRUSLSA-N 345.451 1.368 0 40 EDAB CC(C)n1ccnc1CN1CCCN(C(=O)c2nccnc2N)CC1 69815985 RZXXLNUCSXEQNR-UHFFFAOYSA-N 343.435 1.184 0 40 EDAB O=S1(=O)CC[C@@H](NCc2cccc(OCCn3ccnc3)c2)C1 69809318 LLSMZDUUYIJZFQ-OAHLLOKOSA-N 335.429 1.239 0 40 EDAB COCCOC(=O)C1=C(C)N=C2N=C(C)NN2[C@H]1c1ccccc1 18152168 DWRODGWLIRXYOB-HNNXBMFYSA-N 328.372 1.800 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)CS(=O)(=O)C1CCCC1)C2 69947222 ILZIAWIXJBGAFQ-UHFFFAOYSA-N 340.449 1.101 0 40 EDAB Cc1c(C(=O)NC2(c3nn[nH]n3)CCCC2)cnn1-c1ccccc1 72288639 FLYQWBIGXQEEDV-UHFFFAOYSA-N 337.387 1.893 0 40 EDAB CN(C)c1ncnc2c1CN(Cc1cc(=O)n3ccsc3n1)CC2 97201856 FCZNJLTZZSOPRJ-UHFFFAOYSA-N 342.428 1.170 0 40 EDAB COC(=O)CN(C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 95381680 HDPXDHBUUZIYEZ-CYBMUJFWSA-N 345.355 1.655 0 40 EDAB CN1CCC(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 95445957 YILINKHRZPMOMY-MOPGFXCFSA-N 345.487 1.327 0 40 EDAB CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCNC2)ccc1Br 95467166 IAWXNYZXFJQTED-SECBINFHSA-N 347.234 1.292 0 40 EDAB CN(C)S(=O)(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 95433052 YPVDPMYJAYELNN-CQSZACIVSA-N 332.853 1.892 0 40 EDAB CCN1C[C@@H](C(=O)Nc2ncc(C)cc2Br)CC1=O 95436727 FKTVCCNUURICQX-VIFPVBQESA-N 326.194 1.959 0 40 EDAB CCc1ncnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1F 95977036 YOZUAYONGASHFF-MRXNPFEDSA-N 343.406 1.527 0 40 EDAB CN(C(=O)NC[C@@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 89335144 BJJBEPJOZNHYIK-LSDHHAIUSA-N 336.457 1.935 0 40 EDAB O=C(c1c[nH]c(=O)[nH]1)N1CCN(Cc2ccc3ccccc3n2)CC1 75142476 KVZMODRLGFFSSA-UHFFFAOYSA-N 337.383 1.209 0 40 EDAB C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H]1CCC(=O)N(C)C1 89937125 ZOOCSBJXJFIQAE-UPJWGTAASA-N 339.436 1.226 0 40 EDAB CCCN1CCO[C@]2(CCCC[C@@H]2NS(=O)(=O)CC(C)C)C1 306142360 WWXFFBPBTSBTDP-JKSUJKDBSA-N 332.510 1.985 0 40 EDAB Nc1n[nH]c(SCC(=O)NCc2conc2-c2cccc(F)c2)n1 1505840454 ALVRRZQDUAVNTQ-UHFFFAOYSA-N 348.363 1.590 0 40 EDAB C[C@@H](CCc1cccn1C)NS(=O)(=O)c1cccnc1C(=O)O 519823259 IVNLUYNYJXKMLP-NSHDSACASA-N 337.401 1.418 0 40 EDAB Cn1c([C@@H]2CCCN2C(=O)CCCn2cnnn2)nc2ccccc21 524735095 VFDJSMFCAGRCOS-HNNXBMFYSA-N 339.403 1.704 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cnc3cc[nH]c3c2)C1 1553885354 CQRKSXURPFNSRK-RISCZKNCSA-N 326.360 1.592 0 40 EDAB CN(CC1CCCC1)C(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 77741935 LVTNJWDGJCXQBI-UHFFFAOYSA-N 345.378 1.994 0 40 EDAB COc1ccc(C(=O)[C@@H](NCCO)c2oc(C)cc(=O)c2O)cc1 1547138796 RZCWRWGYHDTWBK-CQSZACIVSA-N 333.340 1.168 0 40 EDAB biogenic Cc1nn(CCNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c(C)c1Cl 35670955 TUBBNEMNBDXTIE-NWDGAFQWSA-N 325.796 1.937 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@@]1(O)CCCc2occc21 1565522125 BOTZWTGSUZOINH-AWEZNQCLSA-N 326.374 1.387 0 40 EDAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1nnn[nH]1 33000078 BDZPAOFKSOVPOR-UHFFFAOYSA-N 333.739 1.865 0 40 EDAB O=C(c1cnccn1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38729434 IPOCLTMZBVGFNT-JKSUJKDBSA-N 336.395 1.565 0 40 EDAB CN(CCNS(=O)(=O)c1cnn(C)c1)Cc1ccc(F)cc1F 75623971 KNHTXOTUDOLBOU-UHFFFAOYSA-N 344.387 1.109 0 40 EDAB Cc1cc(N2CCC[C@H]2c2cc(CCC(N)=O)nc(C)n2)ncn1 72367095 LWNRRUICNHTGPU-HNNXBMFYSA-N 326.404 1.643 0 40 EDAB COc1ccc(NC(=O)C[C@@H](CN2CCC(O)CC2)C(=O)O)cc1 71280214 VZZGNTMUVBKGJJ-LBPRGKRZSA-N 336.388 1.181 0 40 EDAB CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCO 217515341 FKMVPRDLCPHIAT-UHFFFAOYSA-N 330.406 1.258 0 40 EDAB CC(C)n1ncc(N2CCN(c3ncccn3)CC2)c(Cl)c1=O 72242613 AWWRQUVIPKCDIV-UHFFFAOYSA-N 334.811 1.594 0 40 EDAB CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1cnccn1 72324208 DUVLNHXMGSPAOM-OAHLLOKOSA-N 327.388 1.365 0 40 EDAB CCN(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)CN 79392919 QDVQKLOKTFGMEH-MRXNPFEDSA-N 333.432 1.842 0 40 EDAB O=C1CC[C@@H](NC(=O)c2cnnn2-c2cccc(F)c2)[C@H](C2CC2)N1 569267995 REQCQTDXWYEYJL-CJNGLKHVSA-N 343.362 1.193 0 40 EDAB O=C1C[C@@H](N2CCN(C3CCCCC3)CC2)C(=O)N1CC(F)(F)F 195245559 YNLHIUITFRCJQC-CYBMUJFWSA-N 347.381 1.627 0 40 EDAB COC(=O)[C@@H](CNS(=O)(=O)c1cccnc1)c1ccc(F)cc1 193116466 XCIZYDYFVAYXLY-AWEZNQCLSA-N 338.360 1.456 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2Cl)C1 44884207 NWOOPZCRDDBOSN-LLVKDONJSA-N 345.852 1.797 0 40 EDAB O=Cc1cnc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1 49468329 SHDBQNXHFPCHEZ-UHFFFAOYSA-N 345.424 1.859 0 40 EDAB Cc1nn(C(C)C)c2cn(CC(=O)N(C)Cc3ccnn3C)nc12 46087594 FLLQIVXIAZCAHX-UHFFFAOYSA-N 329.408 1.514 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 40493616 WOFHDOZZKSWJMZ-QWRGUYRKSA-N 342.383 1.601 0 40 EDAB CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)Nc2ccccc2O3)CC1 225480015 BBDHZYMPQSRZLA-HOCLYGCPSA-N 329.400 1.471 0 40 EDAB biogenic,in-vitro Cc1cn2c(n1)CC[C@H](NS(=O)(=O)C1=Cc3ccccc3OC1)C2 195578808 SHEDPSWEFSNKTK-AWEZNQCLSA-N 345.424 1.859 0 40 EDAB C[C@@H](NC(=O)c1ccccc1-n1cnnn1)c1nnc2ccccn12 96116950 HNYLNURYOVXHGI-LLVKDONJSA-N 334.343 1.196 0 40 EDAB O=C(O)[C@H](NS(=O)(=O)C[C@@H]1CCOC1)c1ccc(Cl)cc1 578577527 QIGUXEAXDONAQU-BXKDBHETSA-N 333.793 1.422 0 40 EDAB O=C(O)[C@H]1C[C@H](N2CCCC2)CCN1C(=O)Cc1cccc(F)c1 96069022 ZZVXJKSJDBYVRC-HZPDHXFCSA-N 334.391 1.908 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2c(C)nc3sc(C)cn23)C1 97235622 RRWIQZLBKBDAJO-GFCCVEGCSA-N 342.490 1.526 0 40 EDAB c1ccc(-n2nnnc2N2CCC(c3nncn3C3CC3)CC2)cc1 91483586 ADBPPAOMRZHOIS-UHFFFAOYSA-N 336.403 1.973 0 40 EDAB CC(C)[C@H](C(=O)NC[C@@H]1CCCO1)n1nnc2ccccc2c1=O 95477455 GWKTVOXENTUHOR-SWLSCSKDSA-N 330.388 1.284 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccccn2)[C@@H]2COC[C@H]12)c1ccsc1 96185139 AIOCNIPEPJDIFO-BZUAXINKSA-N 329.425 1.772 0 40 EDAB Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)N2CCOCC2)o1 96499983 AGWLYHJRRKZZHL-HNNXBMFYSA-N 328.372 1.930 0 40 EDAB Cc1cc(C)c(C(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)[nH]1 583618984 PPKUTRUPUJPDKC-KRWDZBQOSA-N 331.420 1.928 0 40 EDAB O=C(c1ccoc1)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 96109075 ZTPBSCKZHUJJJH-DYVFJYSZSA-N 332.331 1.981 0 40 EDAB COC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2F)CCO1 96440265 QDVPJOTVDOJNIF-NJZAAPMLSA-N 326.343 1.878 0 40 EDAB O=C1C[C@H](c2cccnc2)C2(CCN(C(=O)c3cccnc3)CC2)N1 96061469 BRTHITVSMODCOL-MRXNPFEDSA-N 336.395 1.755 0 40 EDAB Cc1ncc(CN2CCN(C(=O)N[C@H]3CC[C@H](O)CC3)CC2)s1 332437051 HMZQSFFYXZNMAN-HDJSIYSDSA-N 338.477 1.582 0 40 EDAB Cc1occc1C(=O)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 96202317 ASRAXUHROFPLIJ-GOSISDBHSA-N 342.399 1.747 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 95252484 GXSBDFGSOBTNIJ-KZTGVZKYSA-N 336.413 1.335 0 40 EDAB COC[C@H](C)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 97103871 UKMMGHNMNXGANU-CYBMUJFWSA-N 330.425 1.415 0 40 EDAB O=C(c1ccnnc1)N1CCn2cc(CN3CCCCC3)nc2C1 96067972 RTILBZDEOPNMCL-UHFFFAOYSA-N 326.404 1.315 0 40 EDAB Cc1ccc(OCCN2CCCN(S(=O)(=O)C3CC3)CC2)cc1 585080549 OVUXXPXKVDVLCI-UHFFFAOYSA-N 338.473 1.874 0 40 EDAB C[C@H](Oc1cccc(Br)c1)C(=O)N[C@H]1CCC(=O)NC1 96426354 XGMVQXCBYJRMAW-ONGXEEELSA-N 341.205 1.611 0 40 EDAB c1cnc(OC[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccncc2)nc1 247820496 GKMXSUAOFHNXOM-ULQDDVLXSA-N 326.400 1.930 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(CCOc2ccccc2)C1 257227658 FQHRPGISOVWOSP-CYBMUJFWSA-N 335.429 1.682 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)C2(N)CCCC2)n1 257330925 XQPOGJFPYVZHBW-OAHLLOKOSA-N 331.420 1.048 0 40 EDAB Cn1cc(CCC(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cn1 257279742 OHYQMFMUGPFWRI-HKUYNNGSSA-N 343.427 1.784 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2scnc2C)n1 257317902 VLPZVCSFQRQAHD-NSHDSACASA-N 333.417 1.805 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)nc(C)n1 257272425 NCJFVQASZBPRBN-INIZCTEOSA-N 346.431 1.396 0 40 EDAB CCCc1nnsc1C(=O)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257226835 FMJWRXWTTCKLQS-MRVWCRGKSA-N 338.477 1.598 0 40 EDAB COCCN1CC[C@@H](CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 253370588 SVDORNUSOOYJTQ-HOCLYGCPSA-N 335.452 1.615 0 40 EDAB Cc1cc(CN(C)C(=O)Cn2nc(C)c3ccccc3c2=O)no1 25138310 ICCALOYKEBQKJE-UHFFFAOYSA-N 326.356 1.660 0 40 EDAB CS(=O)(=O)N1CCC(N2CCC[C@H](c3nccs3)C2)CC1 257282721 OUYOIBHAOYYCQE-LBPRGKRZSA-N 329.491 1.747 0 40 EDAB Cc1cc(C)n(CCCC(=O)N2CC[C@@H]3OCC(=O)N(C)[C@H]3CC2)n1 257241943 IAHSVOLITVGRHW-HOTGVXAUSA-N 348.447 1.128 0 40 EDAB CC(=O)N1[C@@H]2CN(C(=O)c3cc(C)nc(N)n3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257311748 UKVNJJMYKMDMLV-WLLUSJSYSA-N 343.431 1.371 0 40 EDAB CCOC(=O)Nc1cccc2nc(C)n(NC(=O)OCC)c(=O)c12 255188021 IHOIAYFMQHQCDR-UHFFFAOYSA-N 334.332 1.973 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ocnc3C)CC2)C[C@H](O)C1(C)C 257278109 OAUPHMMDKAHFDA-AWEZNQCLSA-N 349.431 1.597 0 40 EDAB CC(C)(Cc1ccc(O)cc1)C(=O)N1CCO[C@@H](Cn2cncn2)C1 1615589673 FNMFSGBENMLZOT-MRXNPFEDSA-N 344.415 1.480 0 40 EDAB O=C(c1c(O)cccc1OC(F)(F)F)N1CCN(C2CC2)C(=O)C1 1616037505 IRRPNKPETGOEHL-UHFFFAOYSA-N 344.289 1.738 0 40 EDAB C[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1nnc2c(=O)[nH]ccn12 1616037935 IKSROUFKSCRARW-UHTWSYAYSA-N 329.404 1.811 0 40 EDAB Cc1cn2nnc(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)c2c(O)n1 1616037066 BAWXVJVVGHPGQZ-NJMOYASZSA-N 327.388 1.693 0 40 EDAB CCn1cc(CN2CCO[C@@](CO)(Cc3cccc(F)c3)C2)cn1 585276838 RMGLHPYZPMBDER-SFHVURJKSA-N 333.407 1.848 0 40 EDAB O=C(CCCn1cncn1)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 585270993 DKHWEHPFOGDUHL-IRXDYDNUSA-N 346.406 1.792 0 40 EDAB COc1cc(CNCC2CCN(CCO)CC2)cc2c1OCCO2 69415562 SNFZEWLMVLLAIV-UHFFFAOYSA-N 336.432 1.260 0 40 EDAB Cc1cccc(CNC(=O)CN2CCN(CC(F)(F)F)CC2)c1 71896944 JDUNIYSWDNQPGG-UHFFFAOYSA-N 329.366 1.791 0 40 EDAB CCc1nc(CC(=O)NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)cs1 55288577 OHIPHQUJOAUPNS-RYUDHWBXSA-N 339.461 1.390 0 40 EDAB CCc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1C(C)(C)C 56359094 DYZFWEKMRZKEMR-UHFFFAOYSA-N 342.447 1.953 0 40 EDAB O=C(NC[C@H]1CCCO1)NC1CN(c2ncnc3ccsc23)C1 1776009334 DQTNAFWYBFFBMR-LLVKDONJSA-N 333.417 1.358 0 40 EDAB O=C(Cc1cccc2ccccc12)NCCN1CCS(=O)(=O)CC1 73861899 FUGFGRQCWXFJNV-UHFFFAOYSA-N 346.452 1.229 0 40 EDAB C[C@@H](C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)n1cccn1 75129229 BIGRBOUTNSCEQR-DOTOQJQBSA-N 328.416 1.322 0 40 EDAB CN(CCN1CCCC1=O)C(=O)c1ccc(Br)cc1O 69772330 ARCBAQHAEUHPMI-UHFFFAOYSA-N 341.205 1.849 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(Cc2cn(C)nc2C)CCO1 1615143211 ZGDVENHAXLCVQO-LJQANCHMSA-N 329.444 1.843 0 40 EDAB CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2cnn(C)c2)CC3)CC1 12183087 XPKGALOJOHPVFD-UHFFFAOYSA-N 342.447 1.298 0 40 EDAB CC[C@H](CN1CCCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 12362920 SATONLMCLJGEKX-CQSZACIVSA-N 342.443 1.846 0 40 EDAB Cc1nsc(N)c1C(=O)OCC(=O)N(C)Cc1ccsc1 12982028 JKYAXXATGHVRQQ-UHFFFAOYSA-N 325.415 1.911 0 40 EDAB CCc1ccc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)cc1 13670925 HNLRYSNZSNUXSS-UHFFFAOYSA-N 341.477 1.083 0 40 EDAB COc1cc(-c2ncc([C@H](N)CC(=O)O)cn2)cc(OC)c1OC 15418382 MRBFRBPWNQEURR-LLVKDONJSA-N 333.344 1.644 0 40 EDAB CN(C)C(=O)[C@]1(C)CN(Cc2cn(C)c3ccc(F)cc23)CCO1 19746951 KKWXCMQSFVXJGD-SFHVURJKSA-N 333.407 1.997 0 40 EDAB CCN(CC)C(=O)CN1CCC[C@H]1c1nc(CNC)cc(NC)n1 19760572 MEMWNPHRFZXKAL-AWEZNQCLSA-N 334.468 1.243 0 40 EDAB CSC[C@@](C)(O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 206714896 SDZNWBZZIVXOQP-CQDKDKBSSA-N 349.518 1.415 0 40 EDAB O=C(CSC1CCCC1)N[C@H]1CCN(c2ccc3nncn3n2)C1 390830553 LSXJQVCKGGGUKR-LBPRGKRZSA-N 346.460 1.495 0 40 EDAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)[C@@H]4CCCO4)C[C@H]3C2)nn1 1888846770 NCSRHYZXBQEZLR-KFWWJZLASA-N 344.459 1.848 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CCN(c2ncc(Br)cn2)C1 1889065322 GVEXPWKYRXUKLS-VIFPVBQESA-N 327.226 1.980 0 40 EDAB O=C([C@H]1CCCN(c2ncc(Cl)cn2)C1)N1CCSCC1 1889095450 GLAGIXOYVRIBPJ-NSHDSACASA-N 326.853 1.922 0 40 EDAB NC(=O)c1cc(OC2CN(C(=O)C3CCC(F)(F)CC3)C2)ccn1 1889104487 RZBIMBGXJUGIJN-UHFFFAOYSA-N 339.342 1.596 0 40 EDAB CCN1CCN(C(=O)N[C@@H](C)Cc2cc3ccccc3o2)C(=O)C1=O 244933077 BZYRIBMFGISNID-LBPRGKRZSA-N 343.383 1.764 0 40 EDAB Cc1cnc(C)c(OC2CCN(c3nccc(N(C)C)n3)CC2)n1 2087126107 XBQZPNWLHWMZOA-UHFFFAOYSA-N 328.420 1.997 0 40 EDAB O=C(Cn1c(=S)[nH]c2ncccc2c1=O)NCc1cccnc1 424586 MSPOICKRPMVYPV-UHFFFAOYSA-N 327.369 1.165 0 40 EDAB O=C(Nc1ccc(F)cc1)N1CCN(c2ccc3nncn3n2)CC1 5051631 WCEXMWONAJYERU-UHFFFAOYSA-N 341.350 1.618 0 40 EDAB COCCNc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1 9578759 WIAGQSAACUTOBK-UHFFFAOYSA-N 340.387 1.155 0 40 EDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2cccs2)C1 2055771822 BVVJGWRFQBLVHT-KRWDZBQOSA-N 346.456 1.593 0 40 EDAB CCOC(=O)N[C@@](Nc1ccc(C)cn1)(C(=O)OC)C(F)(F)F 20065346 SVLPBJICOCJICR-LBPRGKRZSA-N 335.282 1.980 0 40 EDAB Cn1/c(=N\C(=O)c2cnccn2)sc2cc3c(cc21)OCCO3 36634209 RDCTYTNQGDRSQG-OBGWFSINSA-N 328.353 1.542 0 40 EDAB CC(C)S(=O)(=O)N1CCN(c2ncc(Br)cn2)CC1 48905194 CMCOTBMPEZEVLO-UHFFFAOYSA-N 349.254 1.099 0 40 EDAB CN1c2ccc(F)cc2N(CCNC(=O)CC2CC2)S1(=O)=O 575613606 UZKWNZFTHOJPDY-UHFFFAOYSA-N 327.381 1.243 0 40 EDAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)Nc1cc(O)n(-c2ccccc2)n1 585149530 DGGVKPAKPUQKIR-DOMZBBRYSA-N 342.399 1.925 0 40 EDAB CSCC[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1Cl 75157622 MRKCSDHLPTYSTR-AWEZNQCLSA-N 330.837 1.899 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1C 30289477 KXDYMVAVTGFENX-UHFFFAOYSA-N 348.428 1.305 0 40 EDAB Cc1ccccc1N(CC(=O)NCc1cccnc1)S(C)(=O)=O 20236614 XLRITYUNIKAOQB-UHFFFAOYSA-N 333.413 1.472 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 40498976 FLPKSZUKSBHJOO-UHFFFAOYSA-N 348.380 1.253 0 40 EDAB Cc1noc(C)c1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 40541095 AFZCGJXJVVJFHR-UHFFFAOYSA-N 329.404 1.368 0 40 EDAB CC(=O)N1CCN(C(=O)CCc2nc(Cc3ccccc3)no2)CC1 40529523 PGWRDNOVXXFUBM-UHFFFAOYSA-N 342.399 1.284 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 40522629 HDGXIRDIOSIFDE-LBPRGKRZSA-N 348.428 1.024 0 40 EDAB Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H]1CCS(=O)(=O)C1 40508603 HGEFSWSNVXINDW-LBPRGKRZSA-N 338.360 1.706 0 40 EDAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(S(C)(=O)=O)cc1 101715880 RSXZGMOWHDTFHV-NSHDSACASA-N 335.381 1.283 0 40 EDAB CN(C)C(=O)CN1CCN(C(=O)c2ccc3ccccc3c2O)CC1 32787736 GSUHSQFUGICHCM-UHFFFAOYSA-N 341.411 1.391 0 40 EDAB CC(C)CNC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1 32776251 BTBQBRGXGJJJCC-LLVKDONJSA-N 345.490 1.585 0 40 EDAB O=c1[nH]c2ccccc2c(=O)n1NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 102267255 AVXZYUZGSGWYAK-OUJBWJOFSA-N 330.413 1.296 0 40 EDAB O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CCCCN1C(=O)c1ccco1 77157573 KOFXNKZZKAZZKO-ZNMIVQPWSA-N 334.416 1.942 0 40 EDAB CN(Cc1cccs1)C(=O)CN1CCn2c(nnc2C2CC2)C1 78788298 COUONOJGSSGELQ-UHFFFAOYSA-N 331.445 1.691 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)Cc3ccc(C)nc3)CCO2)n1 78889810 SDZNXPUCHMVTOI-AWEZNQCLSA-N 329.404 1.603 0 40 EDAB CCOC(=O)C1=C(Cn2ccc(=O)c3sccc32)NC(=O)N[C@@H]1C 78987308 XVVFXNRQKXHADW-SECBINFHSA-N 347.396 1.582 0 40 EDAB CC(=O)N1CCCN(C(=O)NCCOc2ccc3c(c2)CCC3)CC1 79765629 NVPRZRYKRVOMJE-UHFFFAOYSA-N 345.443 1.818 0 40 EDAB O=C(CSc1ccncc1)NCc1ccc(N2CCOCC2)nc1 22484329 BATLPJHYDZQSHC-UHFFFAOYSA-N 344.440 1.722 0 40 EDAB Cc1noc(C2CCN(CC(=O)N3CCO[C@H]4CCCC[C@H]43)CC2)n1 53619600 MUAUKCAEJBCSOI-CVEARBPZSA-N 348.447 1.727 0 40 EDAB CCN(CC)CCNCC(=O)Nc1ccc(N2CCOCC2)cc1 22877364 PHMYTGZRIDYEII-UHFFFAOYSA-N 334.464 1.393 0 40 EDAB CCC[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)C(=O)O 3196068 RWZVDRODCAYCMG-ZDUSSCGKSA-N 333.340 1.850 0 40 EDAB biogenic CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)N1CCCCCC1 23053381 MSRLOTVGVFXBTE-UHFFFAOYSA-N 326.418 1.968 0 40 EDAB CC(C)COC1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 54115130 RCLHGZICTPFDEQ-UHFFFAOYSA-N 329.404 1.940 0 40 EDAB O=S1(=O)CC[C@H](N(C2CC2)S(=O)(=O)c2ccccc2Cl)C1 58457625 AXMZQQUEBHCRIY-NSHDSACASA-N 349.861 1.680 0 40 EDAB C[C@@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)N1CCCC1 42503396 RBRFSDDYESFWIJ-HNNXBMFYSA-N 340.427 1.506 0 40 EDAB CCNC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10338587 YOSBEIVVJXRVNF-SECBINFHSA-N 334.825 1.639 0 40 EDAB CN1CCC(N(C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC1 43151848 BYAIDMIHJHXMJV-UHFFFAOYSA-N 340.427 1.509 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 3265104 BMADKVZKOZTBGN-GFCCVEGCSA-N 336.413 1.891 0 40 EDAB O=C(Nc1nccs1)c1nnc2ccc(N3CCOCC3)cc2n1 57280166 RISGAYOHQXUKGB-UHFFFAOYSA-N 342.384 1.570 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)NCc2cccc(Cl)c2)C[C@@H]1C 106867997 KZNOXCCIPGCLEO-KBPBESRZSA-N 339.867 1.343 0 40 EDAB O=C([C@H]1CCCN1Cc1cnc2cnccn12)N1CCSCC1 92672238 SKWCLEZQUZSZTC-CQSZACIVSA-N 331.445 1.269 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 100781395 SGHPRHVRHUWVMB-YIOZNXECSA-N 338.363 1.577 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@H](C)C(=O)N(C)Cc3ccco3)CCO2)n1 107139695 XEZWFWHBICCUDJ-RISCZKNCSA-N 333.392 1.127 0 40 EDAB CC(C)N(C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCC[C@H]1O 110704875 IRYVKQPJWVWHGZ-BZUAXINKSA-N 332.510 1.672 0 40 EDAB O=C(CCc1cnn(-c2ccccc2)c1)NC[C@H]1CCS(=O)(=O)C1 44721909 BHAWYZFFXYEKHG-OAHLLOKOSA-N 347.440 1.356 0 40 EDAB Cn1nc(C(=O)Nc2ccccc2)cc1OCC(=O)N1CCCC1 57355301 OCLRWUCODOZAOS-UHFFFAOYSA-N 328.372 1.674 0 40 EDAB Cn1ccnc1[C@](O)(CC(=O)NCCc1ccccn1)C(F)(F)F 44896066 ALZKJDQCEZNNEF-CQSZACIVSA-N 342.321 1.314 0 40 EDAB Cc1cc(=O)c(C(=O)NCCN2CCCC2)nn1-c1ccccc1F 44890141 ADZAUJICXKLKAR-UHFFFAOYSA-N 344.390 1.506 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCN(c2ccncc2)CC1)c1ccco1 44893414 RSRHSVDSPHRVTC-MRXNPFEDSA-N 343.431 1.809 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1cccc(F)c1 58267105 KKZICJREXHUOEP-GFCCVEGCSA-N 346.449 1.804 0 40 EDAB CNC(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 3317763 KLZCSTQJDHKZOV-UHFFFAOYSA-N 342.351 1.498 0 40 EDAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCCO2)S(C)(=O)=O 44952405 XDFQSQFPJCMRMD-MNOVXSKESA-N 327.402 1.458 0 40 EDAB Cc1noc2ncc(C(=O)NCCNC(=O)CC3CCCC3)cc12 58344865 DWZMSDMRRSBDAB-UHFFFAOYSA-N 330.388 1.958 0 40 EDAB NC(=O)NC(=O)CCN1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 58343103 CHRAWICLKZIFII-DLBZAZTESA-N 344.459 1.700 0 40 EDAB CCCCNC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3303908 PSNDCKFGFBMPCZ-GOSISDBHSA-N 329.400 1.686 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(C[C@H](O)c3cccc(F)c3)C2=O)cn1 102706109 CLCAQSATNXIHQA-ZFWWWQNUSA-N 331.347 1.210 0 40 EDAB COCCNC(=O)CN1CCN(CCCOc2ccccc2C)CC1 58401694 QHOIQBUWCNUJQR-UHFFFAOYSA-N 349.475 1.144 0 40 EDAB CCc1c(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)[nH]c(C)c1C(C)=O 58402716 IKNRMIQNAHHKCK-HNNXBMFYSA-N 341.411 1.915 0 40 EDAB O=C(COc1ccccc1)NC(=S)NCc1ccc(C(=O)O)cc1 20153585 ZJUWROCRJKGXEK-UHFFFAOYSA-N 344.392 1.955 0 40 EDAB COC(=O)CC1(CS(=O)(=O)N2CCc3sccc3C2)CC1 175732950 ZQHARLVWELPITC-UHFFFAOYSA-N 329.443 1.779 0 40 EDAB COc1cccc(N(CCCC(=O)NC2CC2)S(C)(=O)=O)c1 113968026 KZGMZDKQSKFKQK-UHFFFAOYSA-N 326.418 1.520 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CN1CCSC1=O)c1cccc(F)c1 29082359 FZJBMSSFXCRBFP-AWEZNQCLSA-N 348.403 1.934 0 40 EDAB Cc1cc(CN(C)C(=O)NC2CCN(c3ncccn3)CC2)no1 45711157 XYBMIXJDUVKQOT-UHFFFAOYSA-N 330.392 1.583 0 40 EDAB Cc1cc(C)n(-c2ccc(CNC(=O)CN3CCCC3=O)cn2)n1 46310446 LRXKJQQLQSSIBB-UHFFFAOYSA-N 327.388 1.123 0 40 EDAB O=C(NCCc1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1 12854833 UCJYXRIVBNPRQM-UHFFFAOYSA-N 337.379 1.711 0 40 EDAB COCCn1c(SCC(=O)NCC(C)C)nnc1-c1ccncc1 2625123 MGPTXHAZZDIJPV-UHFFFAOYSA-N 349.460 1.851 0 40 EDAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)CN(C)C1=O 2616442 QWHCMZWRLYCFSI-UHFFFAOYSA-N 325.752 1.490 0 40 EDAB CC(C)c1noc(CCCC(=O)N[C@@H](C)c2nnc3n2CCC3)n1 60503090 FEHUWKBCESIOSI-NSHDSACASA-N 332.408 1.931 0 40 EDAB O=C(COC(=O)c1nn(-c2ccccc2F)c2c1CCC2)NC1CC1 46509389 ZNAFLLFTAFBZBT-UHFFFAOYSA-N 343.358 1.936 0 40 EDAB OCCN1CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 63481972 JSKNLRHDMULSRP-CQSZACIVSA-N 348.365 1.055 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCSCC1)C2=O 49214537 NRXBZKXUJTVKLO-ABAIWWIYSA-N 325.434 1.063 0 40 EDAB CC(C)(C)C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1 49388585 MSTPOJCPLMUDHL-CQSZACIVSA-N 347.390 1.969 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1 71287188 OARIARQZRGYDBR-CHWSQXEVSA-N 348.355 1.186 0 40 EDAB CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 64291016 VTCZZSJBFBQLLS-JKSUJKDBSA-N 332.448 1.604 0 40 EDAB CC(=O)Nc1ccc2c(c1)nc(CCNC(=O)[C@H]1CCCO1)n2C 13685690 SUBDZZPUVJCLJH-OAHLLOKOSA-N 330.388 1.369 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccnc(OCC)c2)C1 65286119 QXBFJTUSLOCHQO-OAHLLOKOSA-N 348.447 1.928 0 40 EDAB CC[C@@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 65418994 GNBFKYSQTBKTCB-SWLSCSKDSA-N 340.445 1.880 0 40 EDAB O=C(c1ccn[nH]1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 96004993 RUHHKDHRPXFOPQ-CYBMUJFWSA-N 334.401 1.456 0 40 EDAB CCOC(=O)c1cnn(C)c1NC(=O)CN1CCc2ccccc21 65530943 RGKZGPPSFGVAGS-UHFFFAOYSA-N 328.372 1.598 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1C(N)=O 9338379 LGSWGWDVQZLMJY-UHFFFAOYSA-N 340.382 1.434 0 40 EDAB NC(=O)CN1CCC[C@H](NC(=O)c2cc3c(s2)CCCCC3)C1 66449443 BFSNRAZIOGDJAL-ZDUSSCGKSA-N 335.473 1.697 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1)n2CCOC 9364756 PHGMJLKOUOUWMP-UHFFFAOYSA-N 328.372 1.610 0 40 EDAB COCCN(C)S(=O)(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 249089817 NSPNJZAOUWTADL-GFCCVEGCSA-N 348.415 1.967 0 40 EDAB CCc1nc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)no1 67096637 KIUIRDKOWVCYTD-CYBMUJFWSA-N 339.355 1.776 0 40 EDAB C[C@@H](C(=O)N1CCC(Nc2ccc(F)cc2)CC1)S(C)(=O)=O 67592969 ALNUMLXARMHYOK-NSHDSACASA-N 328.409 1.662 0 40 EDAB C[C@]1(c2ccc(Br)cc2)NC(=O)N(CCC(N)=O)C1=O 15503161 MHBXQXALJIFABH-CYBMUJFWSA-N 340.177 1.092 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2O)c1 15648346 HIFRBAIFZDKLEI-UHFFFAOYSA-N 349.364 1.591 0 40 EDAB CCn1c([C@@H](C)NC(=O)CNC(=O)NC2CC2)nc2ccccc21 68295391 MZPJTTGZGAVCHH-LLVKDONJSA-N 329.404 1.695 0 40 EDAB Cc1ccn2c(=O)cc(Cn3ncc(Cl)c(Cl)c3=O)nc2c1 7814274 QGGMPVUZIKEXHJ-UHFFFAOYSA-N 337.166 1.915 0 40 EDAB O=C(CNC(=O)NC1CCC(O)CC1)Nc1cccc2ncccc12 70017912 CCJZLFIZMWYHTQ-UHFFFAOYSA-N 342.399 1.776 0 40 EDAB Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1C[C@@H](C)C[C@H](C)C1 69323214 UULHAUHEMMSOEP-QWRGUYRKSA-N 330.432 1.925 0 40 EDAB Cc1cccc2c1NC(=O)[C@]21N[C@H](C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 17029022 DHPOEPXCIQUBMS-SFIKBLTFSA-N 341.411 1.534 0 40 EDAB Cn1c([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)n[nH]c1=S 71896208 QVUYYRKZKXDGSL-QWRGUYRKSA-N 349.460 1.195 0 40 EDAB COc1ccc(CCNC(=O)NCCc2nc(C)no2)c(OC)c1 69599301 RSHMRDHVXIZZNR-UHFFFAOYSA-N 334.376 1.480 0 40 EDAB C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CCCO1 69509437 QGERTYFWGWOFKB-XVKPBYJWSA-N 347.293 1.016 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)c1 69558453 TXKBRPRNEYYBKW-AWEZNQCLSA-N 348.428 1.316 0 40 EDAB C[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)C(=O)N1CCOCC1 71888052 XGOPMYUSNSMZGM-ZBFHGGJFSA-N 330.428 1.860 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)Nc2nnc(C(F)F)s2)C1 71854941 APHMJJYPOGMPQA-ZCFIWIBFSA-N 335.336 1.828 0 40 EDAB O=C(CCN1C(=O)COc2ccccc21)N1CCN2CCCC[C@H]2C1 71839967 WWTZPEJFGPMLMK-HNNXBMFYSA-N 343.427 1.499 0 40 EDAB CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)CC)CC1 69661996 CCQNWPUCLYOISR-UHFFFAOYSA-N 341.433 1.585 0 40 EDAB O=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)NCc1ccco1 69652336 OKJDYWUWUSYJJW-SFHVURJKSA-N 343.427 1.247 0 40 EDAB C[C@H]1CN(c2ccc(NS(=O)(=O)c3cccnc3)cn2)C[C@H](C)O1 69600561 XFVYYQJWTOJDHM-STQMWFEESA-N 348.428 1.891 0 40 EDAB COCCCOc1ccc(C(=O)N2CCC(CNC(C)=O)CC2)cn1 69664377 VJLDVWYGZPPFOU-UHFFFAOYSA-N 349.431 1.485 0 40 EDAB COc1cccc(CC(=O)N2CCN([C@@H]3C[C@H](C)OC3=O)CC2)c1 71832820 NCHPDHRDQSPWHG-XJKSGUPXSA-N 332.400 1.086 0 40 EDAB O=C(Cn1ccc2ccccc21)N1CCC(N2CCNC2=O)CC1 71819986 LVVSQBHLRAYNRV-UHFFFAOYSA-N 326.400 1.658 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)CCCNc2ncccn2)c1 71869817 QOJOJDPRDPBHHD-OAHLLOKOSA-N 328.420 1.865 0 40 EDAB Cc1cnn(CCNc2ncnc3c2c(Br)nn3C)c1 69871458 KVVLFTGPZTXRKA-UHFFFAOYSA-N 336.197 1.743 0 40 EDAB CCOCCO[C@@H](C)C(=O)NS(=O)(=O)c1ccc(F)cc1F 69809052 KWEPMKRJGAMKEJ-VIFPVBQESA-N 337.344 1.211 0 40 EDAB CC(=O)N(C)c1nc(CN2CCn3c(nnc3C(C)C)C2)cs1 69921868 QXHNRXQYJMNGNT-UHFFFAOYSA-N 334.449 1.857 0 40 EDAB Cc1cc(C(=O)N2CCN(C[C@H](C)O)CC2)c(C)n1Cc1ccco1 69978144 GBYWINXWLZRWSO-HNNXBMFYSA-N 345.443 1.885 0 40 EDAB CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C[C@@H]1CCCCO1 97013995 JALPKHIKGFWGQB-STQMWFEESA-N 342.465 1.725 0 40 EDAB C[C@H]1[C@@H](C)OCCN1C(=O)Nc1cc(Br)cn(C)c1=O 97048720 RMZZIBJXAXWQGI-DTWKUNHWSA-N 344.209 1.789 0 40 EDAB Cc1cnn(CCNCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 72253078 PADLAVQJTNXSJP-AWEZNQCLSA-N 341.415 1.545 0 40 EDAB COC[C@](C)(CNC(=O)c1cscn1)NC(=O)c1cscn1 72283536 LAASKIZNEYOCJJ-ZDUSSCGKSA-N 340.430 1.165 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cnn(-c3ccccn3)c1C)C2 97198281 YYTIZFMYZPAJSI-AWEZNQCLSA-N 336.399 1.825 0 40 EDAB COc1cc(NC(=O)N(CCO)CCCO)c(OC)cc1Cl 72309815 IEHUZOKFGAKCMK-UHFFFAOYSA-N 332.784 1.566 0 40 EDAB O=C(N[C@@H]1CCOC[C@@]12CCN(c1ncc(F)cn1)C2)N1CCCC1 306134506 NPKJPYAVBRKNHM-PBHICJAKSA-N 349.410 1.407 0 40 EDAB O=C(c1sccc1-n1cnnn1)N1CCC[C@@H]1[C@H](O)C(F)(F)F 84618185 NEPVRRHXGLMFAD-SCZZXKLOSA-N 347.322 1.252 0 40 EDAB COCCN(C)C(=O)[C@H]1CCCN(c2nc(C(C)C)ns2)C1 95408590 FZLKCOCUASSJFM-LBPRGKRZSA-N 326.466 1.983 0 40 EDAB Cc1nc(CS(=O)(=O)CCn2cnc3ccccc3c2=O)cs1 95419580 VWEFJMOJPIEAEM-UHFFFAOYSA-N 349.437 1.776 0 40 EDAB Cc1ccc(NCC(=O)Nc2cc(C)nn2C)c(C(=O)N(C)C)c1 85277527 SVGQZROJSPRVHE-UHFFFAOYSA-N 329.404 1.789 0 40 EDAB Cc1cc(Br)ccc1C(=O)N1CCOC[C@H]1C(=O)O 88373681 KYAZUGUFVYTNRU-NSHDSACASA-N 328.162 1.683 0 40 EDAB O=C(NCc1cn(-c2ccccc2)nn1)N[C@H]1c2ccccc2C[C@H]1O 88621949 MODYBDNHOAUIBG-MSOLQXFVSA-N 349.394 1.725 0 40 EDAB COC(=O)CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)[C@H](C)C1 95984600 LLQNCIHUJPOANC-CYBMUJFWSA-N 329.400 1.877 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1C 95994990 SZOCTKMTKDNXBE-HNNXBMFYSA-N 334.445 1.996 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(I)c[nH]2)CCO1 75139632 VUFJGAKKNVDATM-SECBINFHSA-N 334.157 1.870 0 40 EDAB Cc1cccc(-c2ccc(C(=O)NCCNc3cnccn3)c(=O)[nH]2)c1 75119618 LHFKHTVNWXCYCD-UHFFFAOYSA-N 349.394 1.982 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)CN2CCN(C)C[C@H]2C)cc1 89939048 POKOULGADGHYGS-MRXNPFEDSA-N 333.476 1.768 0 40 EDAB C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 89904082 XLXZFSXOAFLKMQ-WCQYABFASA-N 344.864 1.716 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)CCc3nc(C(C)(C)C)no3)CCO2)n1 76045024 OBIQELOTJCEQFS-NSHDSACASA-N 348.407 1.326 0 40 EDAB Cc1cc(N2CCN(CC[S@](C)=O)CC2)nc(-c2ccccn2)n1 76023443 MFWJCBSFAGGFJD-XMMPIXPASA-N 345.472 1.348 0 40 EDAB CCn1nc2c(cc1=O)CN(CC[S@](=O)c1ccccc1)CC2 76064378 XJHMXJBKSFMQJN-HSZRJFAPSA-N 331.441 1.429 0 40 EDAB Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(-c3nnnn3C)c2)o1 76061891 YBHYGTXGBMOVCT-LLVKDONJSA-N 347.400 1.818 0 40 EDAB COC[C@@H](C)NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 408630623 VWGWFSXIANCRIF-SNVBAGLBSA-N 334.825 1.257 0 40 EDAB COC[C@H]1CCS(=O)(=O)C12CN(C(=O)/C=C/c1cccs1)C2 306133784 MWBJKWXAVAOPQA-ZYOFXKKJSA-N 341.454 1.423 0 40 EDAB Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2CCCO2)n1 306143053 XRUCLTAPZOZRRB-XHSDSOJGSA-N 329.400 1.271 0 40 EDAB Cn1nnnc1S[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 188739438 CMCGCIBJOGVVCF-GFCCVEGCSA-N 339.371 1.772 0 40 EDAB COc1ccc(-c2nnsc2C(=O)N2CCC(C(N)=O)CC2)cc1 36366905 BJCMDQXCIMUCAH-UHFFFAOYSA-N 346.412 1.551 0 40 EDAB COc1ccccc1C(=O)NCCC(=O)N[C@H](C)Cn1ccnc1 42510087 QMLIGHYZTATZKH-CYBMUJFWSA-N 330.388 1.217 0 40 EDAB COc1cc(NC(=O)N2CCN(c3ccccc3F)CC2)ncn1 182197691 KNBRCCRCMZVMHP-UHFFFAOYSA-N 331.351 1.978 0 40 EDAB COCC(=O)N1CCC[C@H]1c1cc(Nc2cnccn2)nc(C)n1 72360287 BZDQOKGHCPNGTK-ZDUSSCGKSA-N 328.376 1.629 0 40 EDAB CCn1nc(C)cc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 74064320 HYKORHDYXVJEAR-UHFFFAOYSA-N 346.353 1.742 0 40 EDAB C[C@@H]1CN(CC(=O)NCCc2ccc3c(c2)OCCO3)C[C@@H](C)O1 44875085 DDDDTUVAPADLDH-ZIAGYGMSSA-N 334.416 1.226 0 40 EDAB O=C1Cc2cc(S(=O)(=O)N3CCO[C@H]4CCCC[C@@H]43)ccc2N1 41195065 SDZKRSQMFSACSC-GJZGRUSLSA-N 336.413 1.513 0 40 EDAB CNC(=O)c1cn[nH]c1[C@@]1(C)CCCN(C(=O)c2coc(C)n2)C1 72388810 VYBMVZVJVUOTLD-INIZCTEOSA-N 331.376 1.260 0 40 EDAB CN1CCN(Cc2cccc(C(=O)N(C)C[C@H]3CCN(C)C3)c2)CC1 81354433 LZYDRPFWPCYBIH-SFHVURJKSA-N 344.503 1.458 0 40 EDAB CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC=C(Br)C1 225653539 WTKRYJAIVZIUDU-SECBINFHSA-N 339.255 1.504 0 40 EDAB O=C(c1cnc(O)c(Cl)c1)N1CCC[C@H](Oc2cnccn2)C1 225473621 OMBCIYOOQMEBBF-NSHDSACASA-N 334.763 1.914 0 40 EDAB CCOCCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225947350 DFOKIIZSRFYCCY-AWEZNQCLSA-N 346.424 1.349 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2ccoc2)cc1OC 225581852 PSXFAHIBCUIKJB-UHFFFAOYSA-N 325.342 1.553 0 40 EDAB C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1c[nH]c(=O)c2ccccc12 225548396 SSAWABBGAAGFNG-LLVKDONJSA-N 329.400 1.903 0 40 EDAB CCn1cc([C@@H]2CN(C(=O)NC[C@@H](C)Cn3cccn3)CCO2)cn1 191500587 OPEIOZMCGRHQJQ-ZBFHGGJFSA-N 346.435 1.519 0 40 EDAB CC[C@]1(C)CN(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CCO1 190235177 QZKWIYIMYOTIMP-FUHWJXTLSA-N 340.512 1.469 0 40 EDAB Cc1noc(C)c1C(=O)N1CC[C@]2(CC(C(=O)NCC3CC3)=NO2)C1 96225494 JFLFMNBHIBWTDN-KRWDZBQOSA-N 346.387 1.179 0 40 EDAB CCS(=O)(=O)N[C@@H]1CN(Cc2ccccn2)C[C@@H]2CCCO[C@@H]21 96040638 ARBFNRXQNBZXSR-IMJJTQAJSA-N 339.461 1.000 0 40 EDAB CC(C)[C@H](Cn1nccn1)NS(=O)(=O)Cc1cccc(F)c1 238816751 BQHWQEGRRCCRBB-AWEZNQCLSA-N 326.397 1.561 0 40 EDAB O=C(NC1CC1)N1CCO[C@]2(CCCN(c3ncccc3F)C2)C1 96226415 CFCPGRVDHGETRS-KRWDZBQOSA-N 334.395 1.764 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2ccco2)[C@H]1c1ccc(F)cc1 96181715 TVYJOOBISNHYTE-CVEARBPZSA-N 332.331 1.633 0 40 EDAB CCN1CCO[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CC[C@@H]2C1 96249571 DWIMKNIYLGZAFS-RHSMWYFYSA-N 332.400 1.598 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@](O)(c1ccccc1)C1CC1 96025984 YXSYSTQVJDNFJZ-KRWDZBQOSA-N 349.456 1.613 0 40 EDAB COc1ncnc2c1CN(CCC(=O)N1CCc3ccccc31)CC2 97200473 RQUOCZGZFVNXIA-UHFFFAOYSA-N 338.411 1.823 0 40 EDAB COCCO[C@@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1cnn(C)c1 96200223 LDOPNGKZECRRKV-JKSUJKDBSA-N 333.388 1.502 0 40 EDAB CCn1cnnc1[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc32)CCO1 583622873 WHCRJSUMCWAWBK-GDBMZVCRSA-N 341.415 1.721 0 40 EDAB Cc1cc(-n2ccnc2)ccc1CN1CCC[C@](O)(c2cnn[nH]2)C1 583617881 DFRPHRXJHBQJDD-GOSISDBHSA-N 338.415 1.782 0 40 EDAB O=C(c1cnoc1)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96206977 WLGKTJRFNHGXBN-WBVHZDCISA-N 329.356 1.912 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1 96365253 SBUPGLOTEUMANQ-CQSZACIVSA-N 345.486 1.792 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)C(C)(C)C)C1 96244459 ZSSXEGPFMVWZBR-SFHVURJKSA-N 332.448 1.897 0 40 EDAB Cc1cc(C(=O)N2Cc3nccn3C[C@@H](COCC3CC3)C2)no1 96187909 MKSJIZZWTXCZBD-CQSZACIVSA-N 330.388 1.878 0 40 EDAB COC(=O)CC1(NCc2ccc(F)c(C)c2)CCS(=O)(=O)CC1 439764787 INQYAHHQBZAVDO-UHFFFAOYSA-N 343.420 1.734 0 40 EDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cnccn1)C2 96077291 KZXHJEZFOLIDHT-SFHVURJKSA-N 341.390 1.543 0 40 EDAB O=C(c1ccncc1)N1CC[C@@]2(C[C@H](Oc3ncccn3)CO2)C1 96072567 XFSVUYOGKGPXST-WMLDXEAASA-N 326.356 1.324 0 40 EDAB COc1ncccc1NC(=O)N1CCC(c2nc(=N)n(C)[nH]2)CC1 585137104 IPGLGVNKMKHGMX-UHFFFAOYSA-N 331.380 1.043 0 40 EDAB CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1Cc1ccncc1 585116525 ZUYFKCANQKCZOP-KRWDZBQOSA-N 337.420 1.170 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cc(C(F)F)on2)C1 585121830 BKBOMBFLPYRINX-JTQLQIEISA-N 327.331 1.991 0 40 EDAB O=C([C@@H]1CCC[C@]12CCN(Cc1cccnc1)C2)N1CCOCC1 253615443 OJWFSXGKBVUKID-PKOBYXMFSA-N 329.444 1.933 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CCn2nnc3ccccc32)n1 257256725 KMPLHXZVCITNEC-HNNXBMFYSA-N 340.387 1.453 0 40 EDAB Cc1cc2nccc([C@]3(C)CCCN3C(=O)CN3CCOCC3)n2n1 257282933 OVXVHTABDMYNAU-SFHVURJKSA-N 343.431 1.208 0 40 EDAB COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 257310584 UFTSQIKWIOOYIX-FPAYPSAMSA-N 348.443 1.184 0 40 EDAB Cn1cc(C(=O)N2CCC3(CC2)C[C@@H](Cc2cncnc2)CO3)cn1 257336931 YQPOEMUYMQEAGR-CQSZACIVSA-N 341.415 1.464 0 40 EDAB Cc1ccnc([C@@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 257262356 LLCDETLZMIJWJJ-HNNXBMFYSA-N 330.388 1.923 0 40 EDAB Cc1ccnc([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 257288735 PVKUUMIHHPPHGB-OAHLLOKOSA-N 331.347 1.903 0 40 EDAB COc1ccccc1[C@H]1CN(C(=O)CN2CCCC2=O)CCN1C 257319095 VQSLRVFTIYKFRE-OAHLLOKOSA-N 331.416 1.133 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2ccon2)CC1 257246131 ISPMXUCCMBDICJ-UHFFFAOYSA-N 329.360 1.121 0 40 EDAB Cn1ccnc1N1CCC(NC(=O)c2ccc(C(=O)O)cc2)CC1 263411107 IXXNYJKIXUFMBK-UHFFFAOYSA-N 328.372 1.517 0 40 EDAB Cn1cnc(S(=O)(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)c1 286743358 ONZOOKXEYNYDTL-GJZGRUSLSA-N 331.441 1.892 0 40 EDAB CC[C@@H](C)[C@H](C(=O)Nc1ccc(Cn2cncn2)cc1)n1cnnn1 1615154358 FVCJDMJDDFPYBG-IUODEOHRSA-N 340.391 1.539 0 40 EDAB CNS(=O)(=O)c1ccc(N2CC[C@@H](c3nc(C)no3)C2)c(F)c1 649450534 OHJILPYOTJHOEW-SNVBAGLBSA-N 340.380 1.419 0 40 EDAB Cc1nc(C(=O)NC[C@H]2CO[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C)C[C@H]23)cs1 575403275 GUNVWLICNQNMSO-DJEPCVJESA-N 349.456 1.311 0 40 EDAB CO[C@H]1CCOC2(C1)CN(C(=O)Cc1ccc3c(c1)CCCO3)C2 575402415 AIDXETBFVUPZAH-INIZCTEOSA-N 331.412 1.961 0 40 EDAB COC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1ccc2c(c1)OCO2 585094808 NNCGCBCFFKBDGK-LBPRGKRZSA-N 329.356 1.362 0 40 EDAB O=C(NCCc1cn2ccccc2n1)N[C@H]1CCN2CCCC[C@H]12 45426524 UOOQOPJNYNBRJQ-JKSUJKDBSA-N 327.432 1.803 0 40 EDAB COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccn4)C[C@H]3C2)n1 1065955051 WPGBNEIWYIGMAA-BETUJISGSA-N 325.372 1.089 0 40 EDAB O=S(=O)(NC1CCN([C@H]2CCOC2)CC1)c1ccc(Cl)nc1 84429131 LLLVDPLFCYWTAF-LBPRGKRZSA-N 345.852 1.267 0 40 EDAB CCc1noc([C@@H](C)N2CCN(C[C@H](O)Cc3ccccc3)CC2)n1 95360776 ZPNYRZOXEKDLLW-NVXWUHKLSA-N 344.459 1.914 0 40 EDAB COc1c([C@@H]2CCCN2[C@H](C)C(=O)N2CCOCC2)c(C)nn1C 106908276 XDDBXOXJTFRRKW-KGLIPLIRSA-N 336.436 1.121 0 40 EDAB C[C@@H](C(=O)NCc1ccc(OCc2cccnc2)cc1)S(C)(=O)=O 40540958 YCRUZBAMDVHPNQ-ZDUSSCGKSA-N 348.424 1.710 0 40 EDAB C/C=C/C=C/C(=O)O[C@H]1CC/C=C/[C@@H](O)[C@@H](O)[C@H](CCC)OC1=O 4097625 TXPRZPDVUZCNLB-PXTUIATNSA-N 338.400 1.814 0 40 EDAB biogenic,in-vitro Cc1ccc(N(CC(=O)NCCN(C)C)S(C)(=O)=O)cc1Cl 13632777 LMAFJUVGVQFTIL-UHFFFAOYSA-N 347.868 1.092 0 40 EDAB CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 5728063 HRZSSFKFPKHAEK-UHFFFAOYSA-N 341.415 1.328 0 40 EDAB O=C(COC(=O)CN1CCSC1=O)N[C@@H]1CCCc2ccccc21 5322705 CKZXTWOZATUVJV-CQSZACIVSA-N 348.424 1.892 0 40 EDAB CCOc1ccc(N(CC(=O)N(CC)CC)S(C)(=O)=O)cc1 5452779 SCFMYZQUEAHSEM-UHFFFAOYSA-N 328.434 1.720 0 40 EDAB Cc1cc2c(o1)c1cnn(CC(=O)N3CCCCC3)c(=O)c1n2C 12183546 GPDCLXREONZDEV-UHFFFAOYSA-N 328.372 1.802 0 40 EDAB Cn1c(=O)c2c(NC(=O)c3ccccc3F)ccnc2n(C)c1=O 13011004 ZETUOSWQCPIWJS-UHFFFAOYSA-N 328.303 1.024 0 40 EDAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)on1 13226064 OZKFGYROBJKVOG-SECBINFHSA-N 345.388 1.639 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@H](c1ccccc1C)NC(=O)N2 17306883 ZRKNIUFLFKVGEA-INIZCTEOSA-N 329.400 1.872 0 40 EDAB COCC(=O)N(C)Cc1nc(N2CCCC2)ncc1-c1ccncc1 19586342 ZQUNSGUOWKVJJT-UHFFFAOYSA-N 341.415 1.744 0 40 EDAB CC(C)(CO)CCCn1cncc1-c1cnc(N2CCOCC2)nc1 19719335 QULVQVDOXREFDY-UHFFFAOYSA-N 345.447 1.975 0 40 EDAB C[C@H](C(=O)N1CCC(N2CCCC2=O)CC1)[C@@H](N)c1ccccc1 156205232 ZYPMLBHDXKZBFR-KBXCAEBGSA-N 329.444 1.936 0 40 EDAB Cn1[nH]c([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)nc1=N 550116711 SEQXVPVQNSRVNI-HNNXBMFYSA-N 325.416 1.623 0 40 EDAB Cn1cc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)cn1 11460919 IJFHMYLFDWLHNA-UHFFFAOYSA-N 326.278 1.965 0 40 EDAB Cc1nc(N2CCN([C@@H](C)C(=O)NC(C)C)CC2)c2ccncc2n1 1888906827 JXBLFSCTVGRSQI-ZDUSSCGKSA-N 342.447 1.368 0 40 EDAB CN1[C@H]2CCC[C@H]1CC(Nc1cnn(C)c(=O)c1Br)C2 101342119 ZFEUNMKQCRVXLO-QWRGUYRKSA-N 341.253 1.970 0 40 EDAB CC1CCN([C@@H]2CSC3(C2)CN(C(=O)c2cncnc2)C3)CC1 2056223259 AFERLAXYDBIPOI-HNNXBMFYSA-N 332.473 1.909 0 40 EDAB COc1cnc(C(=O)N2CC3(C[C@@H](N4CCCCC4)CS3)C2)cn1 2056223937 ICQWKSICKGPHML-CYBMUJFWSA-N 348.472 1.671 0 40 EDAB O=C(c1ccnc(F)c1)N1CC2(C[C@@H](N3CCOCC3)CS2)C1 2056224028 AXHTYZJYCLAGDD-CYBMUJFWSA-N 337.420 1.253 0 40 EDAB O=C(c1cccc(Cl)n1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 1614936552 BHUZWMAENGSUKO-DZGCQCFKSA-N 335.835 1.918 0 40 EDAB C[C@]1(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)CC=CCC1 1565545483 HBJZJXLLDOXLIS-YJBOKZPZSA-N 340.431 1.880 0 40 EDAB O=C(Nc1nc(CC(=O)N2CCOCC2)cs1)c1ccccc1 9627568 QRRCXCIHQJCRKJ-UHFFFAOYSA-N 331.397 1.797 0 40 EDAB CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCCC3)cn2)cc1 13809095 VWMATLFLMOKEOF-UHFFFAOYSA-N 327.384 1.931 0 40 EDAB Cc1cc(N2C[C@H]3CN(c4ncnc5ncn(C)c45)C[C@@H]3C2)ncn1 2086865957 CVBDCTZMBOPMDL-STQMWFEESA-N 336.403 1.034 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCN(CCF)CC2)C1 575615245 CJDQTKOXHABBJJ-CQSZACIVSA-N 343.443 1.747 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)Cc2ccco2)cc1C 206618577 PENZJQXXGKQPIR-INIZCTEOSA-N 339.413 1.869 0 40 EDAB Cc1ccc(-n2ncc3c(C4CC4)nn(CC(N)=O)c(=O)c32)c(C)c1 22768154 QUZRXMDFWIVTDT-UHFFFAOYSA-N 337.383 1.562 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@@H](C)N1CCOCC1 30683040 CWAFSZRQKHXILX-GFCCVEGCSA-N 329.400 1.496 0 40 EDAB NNc1nc(NN)c2c3c(sc2n1)CN(Cc1ccccc1)CC3 20130289 BZBLPUGGTHREEE-UHFFFAOYSA-N 341.444 1.821 0 40 EDAB CN(C)S(=O)(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 40498932 DVQIKVYBJLGVLP-UHFFFAOYSA-N 331.482 1.298 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)Cn3cccn3)CC2=O)c(F)c1 31402565 QLFRVAAWVOVBMQ-KGLIPLIRSA-N 344.390 1.888 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCc1ccccc1F 31732241 RMVFSPZKJYIHKD-ZDUSSCGKSA-N 343.424 1.439 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCCCCOC)cc(C)c1C 40535042 SDGXPBHPNLDFNA-UHFFFAOYSA-N 328.434 1.368 0 40 EDAB C[C@@H]1COCCN1C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 40509733 GOYPOAYESBNOSS-GFCCVEGCSA-N 338.429 1.260 0 40 EDAB COc1ccc(OC)c([C@H](O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 51260960 NMRMPLQIAQLEOC-KCQAQPDRSA-N 333.384 1.912 0 40 EDAB Cc1cc(S(=O)(=O)NC(C)(C)C(=O)O)ccc1Br 40910738 PBQSAQWUOZLKLW-UHFFFAOYSA-N 336.207 1.899 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C 32736767 GWOMWVDAZVQUMA-ZFWWWQNUSA-N 333.432 1.390 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 46863312 AFJAZMZLSQSRAX-HUUCEWRRSA-N 333.432 1.476 0 40 EDAB CNC(=O)C1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 12333635 MQSHHPUAZDZCOY-ZDUSSCGKSA-N 335.423 1.331 0 40 EDAB CS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 79043433 JMVMPIVJWKPGDI-VXGBXAGGSA-N 332.372 1.124 0 40 EDAB CC(C)N1CCN(c2ccncc2S(=O)(=O)N2CCCC2)CC1 1566408 HTWIIUFZXOSQRU-UHFFFAOYSA-N 338.477 1.397 0 40 EDAB CN1C[C@@H](NC(=O)c2c[nH]nc2-c2ccc(F)c(Cl)c2)CC1=O 79020871 YAEUFNPOIUQREP-VIFPVBQESA-N 336.754 1.830 0 40 EDAB CC[C@@H](CCO)CNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 79074284 UDBRRULIBJUAOG-YOEHRIQHSA-N 338.423 1.724 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 42071011 PXJGJMZAGSAOKF-CQSZACIVSA-N 344.864 1.813 0 40 EDAB O=C(CNC(=O)c1cccc(-n2cnnn2)c1)OCc1ccccc1 23158554 JQLGTPSVHVEJKQ-UHFFFAOYSA-N 337.339 1.136 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2cc(F)ccc2OC)c2ccccc2O1 23464664 VHRWOEXIWKRCAK-MRXNPFEDSA-N 344.342 1.988 0 40 EDAB Cc1nc(COc2cccc(C(=O)N3CCNC(=O)C3)c2)cs1 23420847 BHGXNDNFXLAWHK-UHFFFAOYSA-N 331.397 1.603 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2ccncc2)CC1 23701339 DENHWMIXLSWUFH-SFHVURJKSA-N 339.395 1.566 0 40 EDAB Cc1cccc(OCC(=O)NCCCn2ncc3c2c(C)nn3C)c1 57279034 VWVJGKBXOXAJEX-UHFFFAOYSA-N 341.415 1.972 0 40 EDAB O=C(N1CCOCC1)N1CCN(Cc2cccc3cccnc23)CC1 24252050 UTBRNSWEMCSIHQ-UHFFFAOYSA-N 340.427 1.805 0 40 EDAB Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3CCN2CCOCC2)cc1 107198499 NVFXCMGGWJWPLU-RBUKOAKNSA-N 343.471 1.502 0 40 EDAB CC(C)n1c(CN2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C 1311400 FQMUORHMBXQMKA-GFCCVEGCSA-N 333.436 1.389 0 40 EDAB CN(Cc1ccsc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O 24960622 HBYZYTCXIZHNDE-CYBMUJFWSA-N 330.409 1.837 0 40 EDAB COC(=O)C1(c2ccccc2)CCN(C(=O)c2nccnc2N)CC1 25059910 KSCBMBAJJLJOFA-UHFFFAOYSA-N 340.383 1.406 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)CCNC(=O)c2ccsc2)C1 25134086 QNZJYPQINOCELD-LBPRGKRZSA-N 338.429 1.670 0 40 EDAB Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)NC3)c1 107350258 CSDOPROIVADEGU-LBPRGKRZSA-N 337.379 1.995 0 40 EDAB CCNC(=O)C1CCN(C(=O)[C@]2(N(C)C)CCc3ccccc32)CC1 95394845 OWHYQSGPESYICI-FQEVSTJZSA-N 343.471 1.764 0 40 EDAB CN(C)C[C@H]1CCN(C(=O)c2ccc(N3CCN(C)CC3)c(F)c2)C1 95397204 QPPBABHCDLIJNO-OAHLLOKOSA-N 348.466 1.601 0 40 EDAB COc1ccccc1CCNC(=O)Cn1nnc(-c2cccs2)n1 58049452 KTZPMSWVYFNZRF-UHFFFAOYSA-N 343.412 1.769 0 40 EDAB CCc1c(COC)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O 22448400 LUUXOIRNAMTGQZ-UHFFFAOYSA-N 346.406 1.944 0 40 EDAB CC(=O)Nc1nc(COC(=O)CNC(=O)c2cccs2)cs1 24909835 HEBLONBAVRWDSC-UHFFFAOYSA-N 339.398 1.636 0 40 EDAB CCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)ccc2O)CC1 58228031 KLPFJAGAEAKMAI-UHFFFAOYSA-N 333.432 1.410 0 40 EDAB CC(=O)c1cccc(OC[C@@H](O)Cn2nnc(-c3cccnc3)n2)c1 58217716 RYGYHAFGSLTTBC-HNNXBMFYSA-N 339.355 1.378 0 40 EDAB Cc1cc(NC(=O)CS(=O)(=O)c2ccc(C(F)(F)F)cn2)no1 44948213 XPUKJXQUMWCKJH-UHFFFAOYSA-N 349.290 1.809 0 40 EDAB Cc1ccc(-c2noc(CN(C)CCN3CCOCC3)n2)cc1F 58428739 YVKKFVPELYIFLT-UHFFFAOYSA-N 334.395 1.948 0 40 EDAB CN(C)CCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 2237749 ONIWYSPFBBTZPG-UHFFFAOYSA-N 344.444 1.509 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(F)cc1 28276791 CGXSKXNNABINQT-AWEZNQCLSA-N 328.409 1.646 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)N1CCN(c2ccccc2C)CC1 12747253 ZNUPHCIRRKNXQR-OAHLLOKOSA-N 332.448 1.741 0 40 EDAB CCCCN(CC)C(=O)Cn1nnc(-c2cccc(C(=O)OC)c2)n1 84744385 XBOPUOJPPKQSGM-UHFFFAOYSA-N 345.403 1.775 0 40 EDAB COc1ccc(C(=O)N2CCc3ccccc32)cc1S(N)(=O)=O 29646905 BGEWCDPASKJKKY-UHFFFAOYSA-N 332.381 1.546 0 40 EDAB COc1cc(/C=C/C(=O)OCC(=O)NC2CC2)cc(OC)c1OC 2635214 KLLBYENZNZWDGX-QPJJXVBHSA-N 335.356 1.547 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCSc2ccc(F)cc21 12971456 PCPTWLMNUXDYMI-LLVKDONJSA-N 335.360 1.029 0 40 EDAB CCOC(=O)[C@@]1(NC(=O)Cn2cc(C)cn2)CCc2ccccc21 70990657 HAAXUDHUEXIOPO-GOSISDBHSA-N 327.384 1.713 0 40 EDAB CN(CC(=O)N1CCNC(=O)C1)c1ccccc1Oc1ccccc1 83857478 WAUCCYKLLWMFIW-UHFFFAOYSA-N 339.395 1.874 0 40 EDAB CCn1cnnc1CNC(=O)N1CCN(C)C[C@@H]1c1ccccc1 65399422 UZGBZXSQBMAWED-OAHLLOKOSA-N 328.420 1.496 0 40 EDAB CCC(CC)(CNC(=O)c1nn(C)c(=O)c2ccccc12)N(C)C 65419014 JHWMEIIOZVFFHP-UHFFFAOYSA-N 330.432 1.784 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)Cc2ccccc2F)CC1 65529017 ABLWUGDIARVHDB-UHFFFAOYSA-N 341.386 1.677 0 40 EDAB Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)/N=c1/sccn1C 65523952 BHIMFEPEQYDJIX-FBMGVBCBSA-N 345.428 1.339 0 40 EDAB O=S(=O)(N[C@@H]1CCCNC1)c1ccc(F)cc1Br 71397300 DDDMVGPBPSZREL-SECBINFHSA-N 337.214 1.619 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CCOc1ccc(F)cc1 14252119 QRKLWVRNDAPNDV-LLVKDONJSA-N 334.399 1.731 0 40 EDAB COCCn1cc2c(n1)[C@H](NC(=O)c1cccnc1OC)CCC2 96002914 DTPOALJIUJKWNU-CQSZACIVSA-N 330.388 1.741 0 40 EDAB CN(CC(=O)N1CCOCC1)[C@@H](c1ccccc1)c1ccccn1 66541900 LMKZESYSEHZDIQ-IBGZPJMESA-N 325.412 1.962 0 40 EDAB O=C(NC[C@H](O)COc1ccc(F)cc1)c1cnc2ccccc2n1 67147141 YWLJSTVOGCPUGG-ZDUSSCGKSA-N 341.342 1.939 0 40 EDAB Cc1c(CCC(=O)NN2CCOCC2)c(=O)oc2cc(O)ccc12 9420754 PCYUURNTEBYBPB-UHFFFAOYSA-N 332.356 1.103 0 40 EDAB CCCS(=O)(=O)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306143005 XQPAZYGVOBPYFB-CYBMUJFWSA-N 326.418 1.291 0 40 EDAB CC(C)(C)OC(=O)N[C@H](C(=O)NOCc1ccccc1)C(C)(C)O 16697166 CVDWRNZTWXJRST-CYBMUJFWSA-N 338.404 1.899 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCCOC)cc1NC(C)=O 408557765 HSOSNKWAOSCAKI-UHFFFAOYSA-N 330.406 1.359 0 40 EDAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(C)O1 408727172 DQTNEDSPODDDHR-BASYENTBSA-N 327.336 1.731 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)cn1 70007914 DPFMFQRRHNKURL-CQSZACIVSA-N 327.388 1.251 0 40 EDAB CC(=O)c1cccc(NC(=O)CN2CCC[C@H](C3OCCO3)C2)c1 69452551 RZFWXKGJYCEVNC-HNNXBMFYSA-N 332.400 1.913 0 40 EDAB NC(=O)N[C@H](CC(=O)N1CCC[C@@H](n2cccn2)C1)c1cccs1 69421226 CLVVPVPOIJXPBS-CHWSQXEVSA-N 347.444 1.908 0 40 EDAB CCN(C(=O)C(=O)NCc1ccccc1CO)c1cccc(F)c1 69461054 JIDOPUCFCKUJON-UHFFFAOYSA-N 330.359 1.987 0 40 EDAB CNC(=O)c1cccc(NC(=O)N[C@H]2CCCN(C(=O)OC)C2)c1C 69581239 LNCGYXULHGXXIQ-LBPRGKRZSA-N 348.403 1.707 0 40 EDAB CCOc1cc(C)nc(N2CCN([C@H](C)c3nc(C)no3)CC2)n1 69560867 HOJCFGJAJNTBJM-GFCCVEGCSA-N 332.408 1.758 0 40 EDAB Cc1nn(-c2ccccc2)cc1C(=O)NCCN1CCN(C)CC1 69530356 ZMVMAAPRUYYVFD-UHFFFAOYSA-N 327.432 1.158 0 40 EDAB O=C(NC1CC1)c1cccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)c1 69510530 XNTPIPSRLTZEDQ-UHFFFAOYSA-N 349.368 1.406 0 40 EDAB Nc1nccnc1C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 71889189 VTKGIYXWIDMTPA-VIFPVBQESA-N 331.763 1.248 0 40 EDAB CCc1nc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)no1 71823330 RJGGXSHVEHSEEE-UHFFFAOYSA-N 336.417 1.139 0 40 EDAB Cc1nc(NC(=O)CN2CCCC[C@@H]2Cn2cncn2)sc1C 69625031 XLHYBXGVXZDQHU-CYBMUJFWSA-N 334.449 1.845 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCCC(=O)Nc1cn[nH]c1 69617719 CZBISXHWQKOBSS-MEDUHNTESA-N 344.371 1.473 0 40 EDAB COc1ccnc(N2CCN(C(=O)NCc3ccc(C)s3)CC2)n1 71803895 YFYFQWRKVHVBJI-UHFFFAOYSA-N 347.444 1.887 0 40 EDAB CC(C)(C)c1cc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)on1 69775604 UOHRMBLXLUULTK-CYBMUJFWSA-N 346.435 1.914 0 40 EDAB CCc1c(O)nc(SCC(N)=O)n(-c2ccc(OC)cc2)c1=O 69737614 FLLCJRDQYSFSEF-UHFFFAOYSA-N 335.385 1.087 0 40 EDAB CCOCCOc1ccc(S(=O)(=O)NCCN(CC)CC)cc1 69740664 SMQODLYVHDGMHY-UHFFFAOYSA-N 344.477 1.722 0 40 EDAB O=C(CN1CC(n2cccn2)C1)N[C@H]1CCN(Cc2ccccc2)C1 71878981 FZGUTPACWPNSPN-KRWDZBQOSA-N 339.443 1.131 0 40 EDAB NC(=O)c1cnn2c1NC[C@@H](CN[C@H]1CCOc3ccccc31)C2 69816891 UWDOWUMKQFTRLL-RISCZKNCSA-N 327.388 1.137 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 71871130 NAWZNUYIAZDZOC-HNNXBMFYSA-N 328.416 1.070 0 40 EDAB CN(Cc1cccc(C(N)=O)c1)C(=O)[C@@H](Cc1ccccc1)N(C)C 71883663 LMRAKBRQBFUKMN-GOSISDBHSA-N 339.439 1.917 0 40 EDAB C[C@H](C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1)n1ccnc1 69923404 RMTJQEBCUSRENE-WBVHZDCISA-N 328.416 1.322 0 40 EDAB CCOC(=O)[C@H](CO)NC(=O)CCCOc1ccc(C(C)=O)cc1 97083308 KJVOYIFWNWEOBY-HNNXBMFYSA-N 337.372 1.088 0 40 EDAB COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)Nc1ccc(Cl)c(Cl)c1 97099934 BIXMNQQFHUKAQW-BXKDBHETSA-N 347.198 1.540 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cncc(F)c1 97022463 JTALTBMNALZOEH-CRAIPNDOSA-N 343.402 1.834 0 40 EDAB O=C(NCC[C@@H](O)C(F)(F)F)[C@@H]1CSCN1C(=O)C1CCC1 72288838 IKTVRRNWWWOWPV-VHSXEESVSA-N 340.367 1.118 0 40 EDAB Cc1noc2ncc(S(=O)(=O)N3C[C@@H]4CCCN4C[C@@H]3C)cc12 72282357 ATGPEWWIOOKNIO-JQWIXIFHSA-N 336.417 1.388 0 40 EDAB CCCc1cc(N2CCN(Cc3noc(C)n3)CC2)n2ncnc2n1 95959640 MEWBGCMXONREKL-UHFFFAOYSA-N 342.407 1.090 0 40 EDAB NC(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cn1 95956362 ORASERLFCGNVOC-JKSUJKDBSA-N 343.358 1.970 0 40 EDAB CN1N=C(C(=O)Nc2cc(CCc3ccccc3)n[nH]2)CCC1=O 95960951 HFLVOMBPDPCDJS-UHFFFAOYSA-N 325.372 1.742 0 40 EDAB CCNC(=O)NC(=O)CNc1ccc(NC(C)=O)cc1C(F)(F)F 23901551 WORFVEGSABSFDB-UHFFFAOYSA-N 346.309 1.921 0 40 EDAB CC(=O)N(C)C1CCN(C(=O)NCc2nccn2CC(C)C)CC1 74534628 SQQFUKYSOFSTTJ-UHFFFAOYSA-N 335.452 1.691 0 40 EDAB CO[C@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 89274048 CFWMFNOZHQLTPV-BXKDBHETSA-N 330.306 1.740 0 40 EDAB CNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 75136950 WMHGBALIMHIKLT-AWEZNQCLSA-N 339.395 1.640 0 40 EDAB O=C(c1ccncc1)N1CCN(C(=O)c2ccc3[nH]ncc3c2)CC1 89800349 DJOHXOCRXYWVHK-UHFFFAOYSA-N 335.367 1.556 0 40 EDAB CCOCCCNC(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 89986926 ZYROBHBHFXLBPO-GFCCVEGCSA-N 343.449 1.463 0 40 EDAB CCOc1nnc(CN(C)CC2CCN(C[C@@H](C)O)CC2)s1 75603081 BYKKRSSZZPZLAV-GFCCVEGCSA-N 328.482 1.461 0 40 EDAB C[C@@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)C[C@@H]1N1CCOCC1 76051742 DKOBXUNZWGVYEY-ZBFHGGJFSA-N 346.427 1.527 0 40 EDAB CCCn1nc2c(cc1=O)CN(Cc1cccc3c1OCCO3)CC2 76064635 XHZVBXOZGPSINI-UHFFFAOYSA-N 341.411 1.983 0 40 EDAB CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)c1 25321139 CPDBAHUVPBYYDP-CYBMUJFWSA-N 340.401 1.226 0 40 EDAB CN(C)c1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cn1 25240457 RSYCFGAOOOIOET-UHFFFAOYSA-N 348.428 1.449 0 40 EDAB O=C(O)[C@H]1COCCN1C(=O)CCOc1ccc(F)cc1Cl 521362967 XTTPIMJHJUHESM-LLVKDONJSA-N 331.727 1.560 0 40 EDAB NC[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218577105 RDDKBKLXRXKVJK-HRCADAONSA-N 336.844 1.936 0 40 EDAB O=C(COc1coc(CN2CCOCC2)cc1=O)c1ccccc1 72401895 MRNKTXZUQDDWIV-UHFFFAOYSA-N 329.352 1.734 0 40 EDAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)N[C@H](C)C(=O)O 6071356 GXJVMJBXZYQVCI-ZJUUUORDSA-N 345.351 1.638 0 40 EDAB biogenic Cc1nc(CN2CCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)no1 79001521 IKPMLBDLXKEJGP-UHFFFAOYSA-N 332.408 1.288 0 40 EDAB Cc1cc(N2CCN(C(=O)c3ccsc3)CC2)n2ncnc2n1 24766736 ZMZBDFFFPMDWNX-UHFFFAOYSA-N 328.401 1.457 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC(C)(c3ccnc(C)n3)CC2)CC1 72367472 UHCJRJLGVUMHRL-UHFFFAOYSA-N 346.475 1.512 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NCCC2CCN(C)CC2)cc1 120965959 IDCKOTYWVCWPOM-UHFFFAOYSA-N 339.461 1.655 0 40 EDAB CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC(=O)N1 188809952 PRIXAKLAWMRFNR-GFCCVEGCSA-N 330.306 1.821 0 40 EDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(OC)cc2)[C@@]1(COC)C(=O)O 218087643 GDXYXEFNQZLUFE-VNHYZAJKSA-N 328.386 1.313 0 40 EDAB Cc1cc(Br)c(O)c(NS(=O)(=O)c2cn[nH]c2)c1 182428004 ZXNORCKSWOFIBN-UHFFFAOYSA-N 332.179 1.987 0 40 EDAB CC(C)CNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCO 217460498 YQNQRGHYLVIXDM-UHFFFAOYSA-N 330.406 1.113 0 40 EDAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1snnc1C 72324386 GFFZUWFNHDIPGM-SNVBAGLBSA-N 332.385 1.963 0 40 EDAB COCCOc1cccc(C(=O)N[C@@H]2CCN(CC(F)F)C2)c1 416353234 WQOFGGCVOQJLIV-CYBMUJFWSA-N 328.359 1.781 0 40 EDAB CO[C@@H](C)CC(=O)N[C@@H]1CCCN(C(=O)c2cnc3n2CCC3)CC1 1065956327 LJNNJYHCFMHOKV-UONOGXRCSA-N 348.447 1.365 0 40 EDAB Cc1cc(C(C)C)nc(N2CCN(CCN3CCO[C@H](C)C3)CC2)n1 192801888 BVMIZPNIWAPUAB-QGZVFWFLSA-N 347.507 1.751 0 40 EDAB CC1(CO)CCN(C(=O)[C@]2(c3ccccc3)CCC(=O)NC2)CC1 571102030 CVWRNELWZDMKSL-LJQANCHMSA-N 330.428 1.455 0 40 EDAB CC(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 225478771 OLLBDYYEPUSMNI-RDJZCZTQSA-N 337.379 1.997 0 40 EDAB biogenic,in-vitro O=C(CCn1ncc2c(Cl)cccc21)N[C@@H]1CCS(=O)(=O)C1 40759506 RHTABOYXAPGMGU-SNVBAGLBSA-N 341.820 1.383 0 40 EDAB O=C(COc1ccc(Cl)cc1Cl)N1C[C@@H](CO)[C@H](CO)C1 529692153 OZDKZIRPOSCHOI-UWVGGRQHSA-N 334.199 1.431 0 40 EDAB O=C(NCCN1CCOCC1)c1cc2cc(Cl)ccc2oc1=O 226042326 MXZUMRBWOVQLPX-UHFFFAOYSA-N 336.775 1.508 0 40 EDAB COC(C)(C)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225598969 JZBYFWXMMLCZQH-UHFFFAOYSA-N 336.388 1.288 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(Cc3noc4c3CCCC4)C2=O)cn1 96444561 PCTMKZSUXXCYGD-GFCCVEGCSA-N 328.372 1.405 0 40 EDAB CC(CO)(CO)NC(=O)Cc1ccc(Cl)cc1Br 97098168 JFCDHCUSWJXWTC-UHFFFAOYSA-N 336.613 1.505 0 40 EDAB O=C(CCn1cc(Cl)c(=O)[nH]c1=O)Nc1cccc(Cl)c1 96443613 QMRMJXBFRCBCFW-UHFFFAOYSA-N 328.155 1.872 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)CO[C@H](COc1cccnc1)C2 96106119 CDDIUUIAWQRDKD-HNNXBMFYSA-N 340.445 1.681 0 40 EDAB O=C(NC[C@@H]1C[C@H](F)CN1Cc1ncccn1)C1(O)CCCCC1 583624002 SHKXBFPFGKBMSW-KBPBESRZSA-N 336.411 1.200 0 40 EDAB CC1(C)CN(C(=O)c2cncnc2N)C[C@H](COc2ccccc2)O1 583617478 XVFQKLNGUZRXDE-CQSZACIVSA-N 342.399 1.757 0 40 EDAB O=C1CC[C@H](C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)N1 97230488 ZVUCGPOTBFSOMR-GFCCVEGCSA-N 331.199 1.593 0 40 EDAB CCOC[C@@H]1C[C@]2(COCCN2C(=O)c2ccc(OC)cc2)CO1 96240731 SVSBMLVLVDJZDW-WMZOPIPTSA-N 335.400 1.732 0 40 EDAB Cc1nc(S(=O)(=O)NC[C@H](N)c2ccc(C(C)C)cc2)cn1C 95432024 XNPJARFSVZOHPT-HNNXBMFYSA-N 336.461 1.830 0 40 EDAB C[C@H]1N(c2cccnc2)C(=O)COC12CCN(C(=O)CC1CC1)CC2 96201606 QJKMOFVISGWGKI-CQSZACIVSA-N 343.427 1.995 0 40 EDAB Cn1ncc2c1[C@@H](COCC1CC1)CN(S(=O)(=O)C1CC1)C2 96198325 TVBWSLQMFKFHMF-CYBMUJFWSA-N 325.434 1.238 0 40 EDAB Cn1ncc2c(N3CC[C@](O)(Cc4ccc(F)cc4)C3)nc(N)nc21 580901989 FIYKBXWGMZYYQK-KRWDZBQOSA-N 342.378 1.269 0 40 EDAB Cn1ccnc1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl 96421350 DAJSRRROFUPZJF-VIFPVBQESA-N 344.198 1.897 0 40 EDAB O=C(c1ccnnc1)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 96218180 UQCSQBDMPZXSKR-SJLPKXTDSA-N 347.415 1.008 0 40 EDAB O=C(c1ccsc1)N1CCOC2(CCN([C@H]3CCOC3)CC2)C1 96158919 BFPZCZPRCJGBNX-HNNXBMFYSA-N 336.457 1.844 0 40 EDAB Cn1nc(CN2CCCC2)c2c1CN(C(=O)c1cccnc1)CC2 96255902 MBWQQMJMOSKCCW-UHFFFAOYSA-N 325.416 1.609 0 40 EDAB COC(=O)/C=C/c1ccc(OCCN2C[C@@H](CO)OC[C@@H]2C)cc1 584908635 AQVKCVOXURZQRE-LTATYCHUSA-N 335.400 1.333 0 40 EDAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccccc3C)C2)ncn1 257257028 KNVFECKABUDAIF-IBGZPJMESA-N 340.427 1.855 0 40 EDAB CC[C@H]1CC[C@@H](C(=O)Nc2n[nH]cc2I)O1 585127484 BCDOODIIKPGYMM-XPUUQOCRSA-N 335.145 1.910 0 40 EDAB CCCCNC(=O)[C@H](C)N1CC[C@@H](c2n[nH]cc2C(=O)OCC)C1 585116425 UUQJARBZEJGWGA-QWHCGFSZSA-N 336.436 1.681 0 40 EDAB COC(=O)[C@@H](c1cccc(O)c1)N(C)C(=O)c1ncn(C(C)(C)C)n1 585126633 DTUNPXBSCXJYQM-CYBMUJFWSA-N 346.387 1.725 0 40 EDAB Cn1cccc1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257256324 KKZJOCTZRZNTSN-HNNXBMFYSA-N 327.375 1.333 0 40 EDAB Cn1cc(CC(=O)NCc2nnc3c(O)nccn23)c2ccccc21 253407942 WXFXMSGGEDSCAH-UHFFFAOYSA-N 336.355 1.181 0 40 EDAB Cn1cc(C(=O)N2CCC3(CC2)C[C@H](Cc2cncnc2)CO3)cn1 257336930 YQPOEMUYMQEAGR-AWEZNQCLSA-N 341.415 1.464 0 40 EDAB CN1CCC(N2CCC[C@@H](Cc3cc(C(N)=O)ncn3)CC2)CC1 257317589 VKKHHNYSXDFWHJ-CQSZACIVSA-N 331.464 1.314 0 40 EDAB Cc1cnc(C(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)cn1 257297298 RGRKPFZIOXNEKX-HNNXBMFYSA-N 327.388 1.460 0 40 EDAB Cc1cnn(CC(=O)N(C)[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)c1 257225647 FHEIRKWQTMXMOU-JFIYKMOQSA-N 344.415 1.406 0 40 EDAB COc1ccc([C@@H]2CN(Cc3nccn3C)CCN2C(C)=O)cc1 257253953 KAZXTJLDVFLZBK-KRWDZBQOSA-N 328.416 1.834 0 40 EDAB CS(=O)(=O)c1cc(NC(=O)N2CC[C@H](C(=O)O)C2)ccc1Cl 262985240 CLRAJPZTIJVHNT-QMMMGPOBSA-N 346.792 1.682 0 40 EDAB Cc1nnc(N2CCN(C(=O)C[C@@H](C)C3CC3)CC2)c(C(N)=O)c1C 1615576037 YPHZFDMEEXMRHF-LLVKDONJSA-N 345.447 1.277 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cc3n(n2)CCN(C)C3=O)cc1F 1615551786 PTZMHYXRYDXHIW-UHFFFAOYSA-N 338.364 1.217 0 40 EDAB N[C@@H]1C[C@@H]2C[C@H](C(=O)NCCc3ccc4c(c3)OCCCO4)C[C@@H]21 1615546481 LLRRCPVQVKUUNJ-YHUYYLMFSA-N 330.428 1.880 0 40 EDAB Cc1cccnc1NC(=O)C1CN(c2cc(-n3cccn3)ncn2)C1 575605106 LQCAWIFFULBJCG-UHFFFAOYSA-N 335.371 1.441 0 40 EDAB CO[C@@H]1CN(C(=O)Cn2cccn2)C[C@]12C[C@@H](c1ccccc1)CO2 585288337 VXWDAMYAQMCSKH-ZHALLVOQSA-N 341.411 1.683 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1Cc1cnn2c(C)cc(C)nc12 585279790 YKAVARQFDTZVMJ-QGZVFWFLSA-N 331.420 1.203 0 40 EDAB CC(=O)N1CCC(C(=O)N2CC[C@H](Cc3ccccc3)[C@H](O)C2)CC1 585281105 SZXCXPOCAIPVDI-RTBURBONSA-N 344.455 1.697 0 40 EDAB C[C@H]1c2nnc(COc3ccccn3)n2CCN1Cc1cnn(C)c1 585098338 WMRCINRAOFUDFO-ZDUSSCGKSA-N 339.403 1.562 0 40 EDAB C[C@@H](NC(=O)CN1CCN(Cc2nccn2C)CC1)c1ccccc1 69367613 HIKPXIVTOJBEMU-MRXNPFEDSA-N 341.459 1.415 0 40 EDAB CCN(CC)[C@H](CNC(=O)CS(=O)(=O)CC(C)C)c1ccco1 69737389 WHUNUBVXHZUMSD-CQSZACIVSA-N 344.477 1.850 0 40 EDAB CC1(C)NC(=O)N(CCN2CCN(c3ccc(F)cc3)CC2)C1=O 45735033 GYKYUVYOQISUMV-UHFFFAOYSA-N 334.395 1.278 0 40 EDAB O=C(Nc1ccc(N2CCCCC2)nc1)N[C@H]1CCS(=O)(=O)C1 61397796 UJFTZEGWPLQLBB-ZDUSSCGKSA-N 338.433 1.381 0 40 EDAB C[C@]1(C(=O)O)CCCN1S(=O)(=O)c1cncc(Br)c1 79483954 BFLWELDOHPWYEA-LLVKDONJSA-N 349.206 1.472 0 40 EDAB COc1cccc(F)c1C(=O)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549161774 KZGNDTLFZUMLRG-UHFFFAOYSA-N 334.347 1.603 0 40 EDAB C[C@@](O)(CNS(=O)(=O)CCC(F)(F)F)Cc1ccsc1 618257031 PKJNQNDITVGNNZ-JTQLQIEISA-N 331.381 1.913 0 40 EDAB Cn1c(CNC(=O)N2CCOCC2)nnc1SCc1ccccc1 5001657 WRIAOVDUHPYJHR-UHFFFAOYSA-N 347.444 1.649 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3ccccc3n2)s1 11201862 IQGDCMPGBPSRHA-UHFFFAOYSA-N 347.421 1.874 0 40 EDAB C[C@H]1CCc2c(sc3ncn(CC4(O)CCNCC4)c(=O)c23)C1 12240199 LJCRVEHERVWXSY-NSHDSACASA-N 333.457 1.697 0 40 EDAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3cnccn3)cc2n1 12276535 XVQPNNWVLFUFJV-AWEZNQCLSA-N 338.371 1.765 0 40 EDAB Cc1ncsc1C(=O)N1CC[C@H](c2cc(O)nc(N(C)C)n2)C1 12367401 MEKFWBHQZHLSHV-JTQLQIEISA-N 333.417 1.643 0 40 EDAB Cc1cnc2n(c1=O)[C@@H](CC(=O)NCCCOC(C)C)CS2 14031979 VAPVFDIFAXHSCA-LBPRGKRZSA-N 325.434 1.520 0 40 EDAB COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 14129666 QIHYOSGJONTQDD-QGZVFWFLSA-N 331.372 1.032 0 40 EDAB Cc1ccc(CN2Cc3nc[nH]c3C[C@H]2C(=O)N2CCOCC2)cc1 15676236 YQXSSFWEJBUGDH-SFHVURJKSA-N 340.427 1.504 0 40 EDAB biogenic,in-vitro CN1CCc2nc([C@H]3CCCN3C(=O)c3ccn(C)n3)ncc2C1 19290942 FWXSIODPEXKVBH-OAHLLOKOSA-N 326.404 1.175 0 40 EDAB COc1ncc(C2(O)CCN(Cc3ccncc3)CC2)c(OC)n1 19594854 MSCLBPYCJYDLQY-UHFFFAOYSA-N 330.388 1.372 0 40 EDAB C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)C(=O)N1CCCC[C@H]1C 153275150 JBVFABOLHARZNQ-VYDXJSESSA-N 347.459 1.679 0 40 EDAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 11694038 XWNZACMCPBZNCT-UHFFFAOYSA-N 347.390 1.895 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2onc3c2CCCC3)C1 13791428 TUYXKLHSEFPRFH-JTQLQIEISA-N 327.406 1.164 0 40 EDAB O=S(=O)(Cc1ccccc1)NCC1CCN([C@@H]2CCOC2)CC1 575609017 XJYLMHZNHYHARE-QGZVFWFLSA-N 338.473 1.607 0 40 EDAB COc1ccnc(NCc2nnc3n2C[C@H](C(F)(F)F)CC3)n1 370974794 CZTIYXKHCNMIJE-MRVPVSSYSA-N 328.298 1.814 0 40 EDAB C[C@@H](Sc1nnnn1Cc1ccco1)C(=O)NC[C@@H]1CCCO1 11308743 NEFZGCYLWJJLDO-MNOVXSKESA-N 337.405 1.090 0 40 EDAB COc1cc(C(=O)N2CCN(c3ncccn3)CC2)cc(OC)c1C 6279932 DVISPIPXDUQTNR-UHFFFAOYSA-N 342.399 1.765 0 40 EDAB O=S(=O)(C1CC1)N1CCCN(c2nc3cnccc3s2)CC1 1889139323 BTZNGMZJFIBVRX-UHFFFAOYSA-N 338.458 1.696 0 40 EDAB COCCC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037841079 VOSCSDZBKFTKEW-QGZVFWFLSA-N 336.363 1.197 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)c3cc4ccccc4n3C)CC[C@H]2C1 1565553067 IWIXRUHANYQAED-MAUKXSAKSA-N 327.428 1.971 0 40 EDAB COc1cc(C(=O)N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)on1 1565549585 UMDVFXREWWSYAI-FFSVYQOJSA-N 345.355 1.529 0 40 EDAB O=C(NC1CCC1)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713859 RXRAIZDFZMIWOO-ZDUSSCGKSA-N 330.432 1.740 0 40 EDAB O=C(c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2)N1CCCC1 2055713336 BSQOQCMLUGSIMT-AWEZNQCLSA-N 330.432 1.694 0 40 EDAB CC(C)NC(=O)[C@@H]1CCc2c(C(=O)NCC(F)(F)F)ncn2C1 2055715805 JUNKUWJZSWHQJP-SECBINFHSA-N 332.326 1.262 0 40 EDAB O=C(c1ccoc1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 29303325 XYXUOQVMGCIOMU-UHFFFAOYSA-N 339.351 1.760 0 40 EDAB Cc1cc(OC2CCN(C(=O)c3snnc3C)CC2)cc(=O)o1 206970114 QIBDWWOSBYILET-UHFFFAOYSA-N 335.385 1.792 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCN(CCF)CC2)C1 575615238 CJDQTKOXHABBJJ-AWEZNQCLSA-N 343.443 1.747 0 40 EDAB Cn1cc(S(=O)(=O)NCC[C@@H](CCO)c2cccs2)cn1 575619350 DFMBOJAFFFKUGD-NSHDSACASA-N 329.447 1.316 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](Cn2ccnn2)C(C)C)cc1 575616436 MGIVGAHLGIDODL-OAHLLOKOSA-N 338.433 1.680 0 40 EDAB CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(=O)[nH]n1 31074562 KVNAQASBCJZDNU-UHFFFAOYSA-N 327.262 1.941 0 40 EDAB COc1cc(-c2noc(CN3CCOCC3)n2)cc(OC)c1OC 20329457 MMLITXRNAGSVJQ-UHFFFAOYSA-N 335.360 1.595 0 40 EDAB COCCn1nc(C(=O)N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(C)C)ccc1=O 101047366 SPNJWTQQLNAAHU-HRCADAONSA-N 345.443 1.953 0 40 EDAB COc1cc(CNCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ccc1F 101782334 SKHYNHTZYRANCU-PYTWLRIVSA-N 344.386 1.731 0 40 EDAB O=C(CCN1C(=O)CCC1=O)NCCCN1CCc2ccccc2C1 32400128 KMSXSKXXIVTMIX-UHFFFAOYSA-N 343.427 1.090 0 40 EDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1cccc2ccccc12 32689100 KFHDPBLEAVAZHV-UHFFFAOYSA-N 337.335 1.732 0 40 EDAB CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 378858 WKJILTCGYJDYSS-UHFFFAOYSA-N 348.790 1.534 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 323755 CNISXYFKUGTJGU-UHFFFAOYSA-N 342.373 1.350 0 40 EDAB CCN(CC)[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)c1ccccc1 32935363 NBYZYEVMULUHEQ-MRXNPFEDSA-N 328.416 1.927 0 40 EDAB O=C(NCc1ccco1)NC[C@@H]1CN(Cc2ccccc2)CCO1 53250126 UMFUXYFWQYZRAN-QGZVFWFLSA-N 329.400 1.980 0 40 EDAB CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cccc[n+]1[O-])C1CC1 78597569 KCTHKISYXVREEQ-QGZVFWFLSA-N 335.404 1.743 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)C[C@@H]1C(=O)Nc3ccccc31)CC2 104158764 YGCPCEBXLVNPCP-AAEUAGOBSA-N 339.399 1.398 0 40 EDAB Cc1nc(NC[C@@]2(N3CCOCC3)CCSC2)c2cnn(C)c2n1 54058826 QHYXAIOCOJZPTA-INIZCTEOSA-N 348.476 1.292 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CCCC2=O)CC1 104625163 ZSBWYDCDBYKSNE-OAHLLOKOSA-N 335.448 1.391 0 40 EDAB O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cnn2c1CCCC2 97086420 VBRWEQXHFWMLKC-OAHLLOKOSA-N 339.399 1.540 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3ccccc3F)CC2)C1 108535977 PFIGEJZLNAZKSL-UHFFFAOYSA-N 340.420 1.760 0 40 EDAB Cn1cc(CCNC(=O)CCCn2c(=O)oc3ccccc32)cn1 42729431 NOQLWXRFJYFTHI-UHFFFAOYSA-N 328.372 1.467 0 40 EDAB CS(=O)(=O)c1ccc(O)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100759630 PLGDJFUIASMHQM-WBRVRECLSA-N 333.365 1.107 0 40 EDAB CC(C)C(=O)NCCNC(=O)/C=C/c1cnn(-c2ccccc2)c1 24977440 HGNBEBJVCSJHRL-CMDGGOBGSA-N 326.400 1.774 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(OC)nc2)c1 55414630 YXLYBYWNMMKORQ-UHFFFAOYSA-N 336.369 1.355 0 40 EDAB Cc1c([C@@H](C)NC(=O)Cn2cnc3sccc3c2=O)cnn1C 25000469 HQGNAUKDJUZOCF-SECBINFHSA-N 331.401 1.377 0 40 EDAB O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CCS(=O)(=O)C1 106669634 QZYQWPLTXXAVSY-JQWIXIFHSA-N 344.383 1.094 0 40 EDAB Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(S(N)(=O)=O)c2)c1 25269265 RDYMKZMEIPVZBL-ZDUSSCGKSA-N 348.424 1.726 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)ccn2)cc1 9834524 NASRGXATTOBGFN-LBPRGKRZSA-N 349.412 1.704 0 40 EDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2cccc(C)c2)C(=O)N1 9926905 LWMXTIZSETVGKU-CHWSQXEVSA-N 336.413 1.487 0 40 EDAB COC(=O)C1(C(=O)OC)CCC(=O)C[C@@H]1c1ccc2c(c1)OCO2 1425876 TYKPXWCTSBHOLX-GFCCVEGCSA-N 334.324 1.584 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc3cccnc23)C1 25903721 BYXPZQIIJKEVAJ-ZDUSSCGKSA-N 333.413 1.845 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)CCc2cnn(C)c2)CC1 56402707 VOESTWORHUKMMX-UHFFFAOYSA-N 331.420 1.302 0 40 EDAB CNC(=O)Cc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 102716924 VXKKPJWLPGERAE-INIZCTEOSA-N 328.416 1.453 0 40 EDAB O=C(NCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccccc1F 102684546 YGEMFUGEWLDDAM-APYUEPQZSA-N 342.370 1.753 0 40 EDAB CC(C)n1[nH]c(=O)c2c(-c3ccc[nH]c3=O)c3sc(=O)[nH]c3nc21 72403224 LNONEVVHITYNJA-UHFFFAOYSA-N 343.368 1.564 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(-n2cncn2)c1 72285769 VIPVLZCBAFHTEP-MRXNPFEDSA-N 335.367 1.094 0 40 EDAB Cc1cc(C)cc(C2(C(=O)N3CC[C@]4(C3)NC(=O)NC4=O)CCC2)c1 72290705 YOSSRTXYUCQDNC-LJQANCHMSA-N 341.411 1.536 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(C)C)cc1OC 108014591 QWEZPAMGENJVFE-NSHDSACASA-N 344.433 1.143 0 40 EDAB Cn1nccc1CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 48268113 LZVJIBABGFGOQS-ZDUSSCGKSA-N 334.401 1.138 0 40 EDAB CN1CCc2nc(NC(=O)c3ccc(N4CCCC4)nn3)sc2C1 58224805 MZGKPPZCVDRDCO-UHFFFAOYSA-N 344.444 1.774 0 40 EDAB CC[C@@H](C)NC(=O)CCNC(=O)C[C@@H]1Sc2ccccc2NC1=O 58230331 BXPDWVYHHPRTQK-RISCZKNCSA-N 349.456 1.911 0 40 EDAB CN(C)[C@@H](CNC(=O)CNC(=O)c1ccsc1)c1ccccc1 58264398 AAVZUXGLCOGFBA-HNNXBMFYSA-N 331.441 1.897 0 40 EDAB CC(C)C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1cccs1 58291927 UOMPLPNHOWOWDJ-LBPRGKRZSA-N 349.460 1.945 0 40 EDAB CCn1cc(Br)cc1C(=O)NCC(=O)NC(C)(C)C 58264675 VYWGQMDCPXAGGW-UHFFFAOYSA-N 330.226 1.915 0 40 EDAB Cc1ccc([C@@H](CNC(=O)N(CCO)C2CC2)N2CCOCC2)o1 44967272 KAIASSRHPRSRDS-OAHLLOKOSA-N 337.420 1.128 0 40 EDAB Cc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CC2)cc1C(N)=O 44914310 LHVUBCQAGUMMCX-UHFFFAOYSA-N 345.424 1.842 0 40 EDAB Cc1csc(=O)n1CCN(C[C@@H]1CCCO1)C[C@H]1CCCO1 44949080 CXHIEKJXDMFCBO-GASCZTMLSA-N 326.462 1.878 0 40 EDAB c1ccc2c(c1)nc1n2CN(C[C@H]2CCCO2)CN1n1cnnc1 20637317 FZYPIXAMMNHMHN-CYBMUJFWSA-N 325.376 1.307 0 40 EDAB CCc1nnc2n1C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)CC2 97199559 HBVGVOZAUKEFJG-YJBOKZPZSA-N 339.443 1.765 0 40 EDAB CCCCCNC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20450032 KXTIKQYMSJXPQO-MDZDMXLPSA-N 328.434 1.991 0 40 EDAB Nc1nnc(CCN2CCC(NC(=O)c3ccccc3F)CC2)s1 97373535 QUCIKIVSOYWDBI-UHFFFAOYSA-N 349.435 1.696 0 40 EDAB C[C@H]1CN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 28842632 ZOWSRSGLEUFAKS-IYBDPMFKSA-N 347.459 1.961 0 40 EDAB Cc1cc(NC(=O)CCN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)no1 11381204 VNTBSGTZXHBZDZ-HWPZZCPQSA-N 334.376 1.812 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)CCc2cccc(F)c2)C1 29195813 KZHHSAOGOSXXRU-AWEZNQCLSA-N 328.409 1.299 0 40 EDAB CC(C)CNC(=O)[C@@H](C)S(=O)(=O)Cc1noc(CC(C)C)n1 46163653 PQFPMPGVQUONPI-LLVKDONJSA-N 331.438 1.344 0 40 EDAB CN(Cc1cnn(C)c1)c1nc(N2CCCC2)nc(N2CCCC2)n1 29955607 IEDHACNTHCOPGF-UHFFFAOYSA-N 342.451 1.442 0 40 EDAB CCCNC(=O)[C@@H]1CS[C@@H]2c3ccc(OC)c(OC)c3C(=O)N12 4081707 IEICPRZMSJIHBJ-MGPLVRAMSA-N 336.413 1.800 0 40 EDAB biogenic CC(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 5043093 HHLSHXDNHNEAMK-UHFFFAOYSA-N 326.418 1.692 0 40 EDAB C[C@H]1CCc2c(sc3ncnc(OCC(=O)N4CCNC4=O)c23)C1 39561845 IWDNRIVRQJIMPP-VIFPVBQESA-N 346.412 1.747 0 40 EDAB CC(C)CCNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408702045 AEHOTRLKAQENCQ-UHFFFAOYSA-N 342.461 1.619 0 40 EDAB CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ncc(C)s2)c1 66247504 WRRPEIIZGDUVOO-UHFFFAOYSA-N 347.443 1.160 0 40 EDAB CCc1cnc(CNC(=O)N[C@@H]2CCCN(CCOC)C2)s1 72304210 QUCXBVWEFNKQJU-GFCCVEGCSA-N 326.466 1.616 0 40 EDAB O=C1[C@@H](Sc2nnnn2C2CCOCC2)CCN1c1ccccc1 68056264 UOZUZHWGINDWRF-AWEZNQCLSA-N 345.428 1.922 0 40 EDAB CCOC(=O)C1CCN(CC(=O)NCCOc2cccc(C)c2)CC1 7663574 YFHOIEKTJXJRJB-UHFFFAOYSA-N 348.443 1.765 0 40 EDAB C[C@@H](Oc1ccc(Br)cc1F)C(=O)N1CCNC1=O 7624161 JOQIYZKMLQKDTD-SSDOTTSWSA-N 331.141 1.907 0 40 EDAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccs1 7988430 DOXHTBIHMGYBCD-OAHLLOKOSA-N 344.436 1.948 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)NCCCc2cccc(F)c2)cc1 68939137 WBOOCNURXXVPNW-UHFFFAOYSA-N 336.388 1.836 0 40 EDAB O=c1cc(N2CCN(C[C@@H]3CCCO3)CC2)nc2ccc(Cl)cn12 69195268 WIXWJDKVHJWTQQ-AWEZNQCLSA-N 348.834 1.649 0 40 EDAB CCOCCOC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 69199888 IQERVBAEBYNESW-PXAZEXFGSA-N 340.420 1.703 0 40 EDAB COc1ccc(CCC(=O)N2CCN(c3cnccn3)CC2)cc1F 71793470 SJILCADDUGZSSS-UHFFFAOYSA-N 344.390 1.906 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1 70007090 WGMJZZZLDQJJRQ-AWEZNQCLSA-N 343.427 1.067 0 40 EDAB COCCN1CCN(Cc2nnnn2-c2c(C)cccc2C)C[C@H]1C 70016653 MOOPIITWNAGUDP-MRXNPFEDSA-N 344.463 1.432 0 40 EDAB O=C(NCc1cn2ccccc2n1)[C@H]1CSCN1C(=O)C1CCC1 69456612 NNGSPGPYLPIDQG-CQSZACIVSA-N 344.440 1.652 0 40 EDAB CN1CCN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1 69517135 CSKJQRJCVQESSR-UHFFFAOYSA-N 335.301 1.748 0 40 EDAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)NC1CCCCC1 69529126 HQCZSQBJYGIBJS-UHFFFAOYSA-N 331.294 1.781 0 40 EDAB COC(=O)[C@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)C(C)C 9503174 BIKFHQZRKKWTPX-CYBMUJFWSA-N 331.390 1.180 0 40 EDAB Cc1cnn(CCNCC(=O)N2CCN(c3ccccc3)CC2)c1 72253068 PEJIABUMIRGDBQ-UHFFFAOYSA-N 327.432 1.130 0 40 EDAB Cn1cc(CN2CCCN(C(=O)[C@@H]3C[C@@H]3c3cccnc3)CC2)cn1 69741846 ZRNSNNGRACTYBW-QZTJIDSGSA-N 339.443 1.653 0 40 EDAB O=C(NC1CCN(S(=O)(=O)N2CCCC2)CC1)c1cccs1 69705460 FGASWFAZFOAWIW-UHFFFAOYSA-N 343.474 1.283 0 40 EDAB Cc1cccc(C)c1-n1nnnc1CN1CCO[C@H](CN(C)C)C1 69819872 DOSPIHWLLAQJDW-OAHLLOKOSA-N 330.436 1.042 0 40 EDAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1nnc2ccccn12 69879362 LGNIHOYNOMHTQZ-SNVBAGLBSA-N 349.354 1.363 0 40 EDAB COc1ccc(CN2CCN(C[C@H](C)O)CC2)cc1Br 69842476 MWBVAHRLISUFDY-LBPRGKRZSA-N 343.265 1.956 0 40 EDAB O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1Cn1cncn1 69977375 QNZWEZAYULSNGR-IAGOWNOFSA-N 343.406 1.902 0 40 EDAB O=C(CNC[C@H]1CCCN1c1cccnn1)NC(C1CC1)C1CC1 71859892 SRBHZMCRFGEXRO-OAHLLOKOSA-N 329.448 1.340 0 40 EDAB Cc1ccsc1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 71927903 ZRJOSARKRQPWKY-LBPRGKRZSA-N 328.459 1.001 0 40 EDAB Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCN(C)CC2)C(C)C)cc1 97617757 CRPNLWWOAWZMTC-QGZVFWFLSA-N 331.460 1.914 0 40 EDAB C[C@@H](C1CC1)N(C)C(=O)c1cccn(CC(=O)NCC2CCC2)c1=O 95394177 HWSHHECFYFJLIH-ZDUSSCGKSA-N 345.443 1.635 0 40 EDAB CCC[C@H]1C(=O)NCCN1c1nc(N(C)C)cc(C(F)(F)F)n1 95451660 WGRJINBCMGKPLV-VIFPVBQESA-N 331.342 1.666 0 40 EDAB Cn1nccc1CNC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 95447183 RPRAHVHDLYYWIK-ZDUSSCGKSA-N 326.759 1.745 0 40 EDAB Cc1nc(CNC(=O)Nc2ccc(Cn3ccccc3=O)cc2)no1 95403853 OOTIDPKKDYRYJN-UHFFFAOYSA-N 339.355 1.910 0 40 EDAB Cc1oc2nc(Cn3nc(-c4ccco4)oc3=O)nc(N)c2c1C 95990795 CDWWNDZHORMXJB-UHFFFAOYSA-N 327.300 1.880 0 40 EDAB CC(C)[C@@H](CN1CCOCC1)NCc1nnnn1-c1ccccc1 95941479 WLZURCJYUWPRJF-MRXNPFEDSA-N 330.436 1.109 0 40 EDAB Cc1ccnc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)c1 89700977 WBMQSTYMUZZSOC-OAHLLOKOSA-N 325.368 1.756 0 40 EDAB C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1nnc2n1CCC2 89913805 ZMTRLHRTQFXKHG-NSHDSACASA-N 328.372 1.763 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 75584941 SAKVNRMVPRRBNF-ZDUSSCGKSA-N 339.461 1.012 0 40 EDAB C[C@H](C(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1)n1ccnc1 76046399 LSRZZPQBJSNUKY-NEPJUHHUSA-N 332.408 1.460 0 40 EDAB O=C(N[C@H]1CCC[C@@H]1C(=O)O)c1cnc(CC2CCNCC2)s1 1553256898 YHAZUHNKIOOACE-RYUDHWBXSA-N 337.445 1.668 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CCCn1cnnn1)c1ccccc1 524733606 YDSUOWGTXNHROF-HNNXBMFYSA-N 325.376 1.093 0 40 EDAB C[C@@H]1CN(C(=O)c2ncc3c(F)cccn23)C[C@H]1N1CCOCC1 528694741 GTANTMQBFBTDAZ-IUODEOHRSA-N 332.379 1.266 0 40 EDAB Cc1nccc(CNC(=O)NCC2CCN(CC(F)(F)F)CC2)n1 187665297 XMCSLFNDEMITQR-UHFFFAOYSA-N 345.369 1.859 0 40 EDAB CCSc1nnc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)s1 70838769 CFXJHBTYDMTQGE-UHFFFAOYSA-N 348.475 1.013 0 40 EDAB Cc1c(C(=O)N[C@H]2CC[C@@H](CO)C2)nnn1-c1ccc(F)c(F)c1 567955014 SJTPWQCSBOKQEH-MNOVXSKESA-N 336.342 1.745 0 40 EDAB Cn1nccc1[C@H]1[C@H](N[C@H]2CCCOCC2)CCC(=O)N1C1CC1 567929421 SZKJZUKHXGUYTH-JCKWVBRZSA-N 332.448 1.773 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)c1C 72536387 FJHYZVIPXOZAOF-JTQLQIEISA-N 333.392 1.569 0 40 EDAB CNC(=O)CCNS(=O)(=O)c1cc(C)cc(Br)c1 195571744 GBELZIYNBIVBSM-UHFFFAOYSA-N 335.223 1.172 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@](C)(O)CCSC 75157629 BQHBDQCZXCCTPT-MRXNPFEDSA-N 340.445 1.562 0 40 EDAB CC(C)c1ccoc1C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 576771498 UIVPRHOARGXABJ-NZBPQXDJSA-N 342.395 1.940 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2C)s1 225138824 QPQUOKPFFVHRRA-UHFFFAOYSA-N 340.430 1.674 0 40 EDAB CC1(C)Oc2cc(S(=O)(=O)N3CCSCC3)ccc2NC1=O 46088722 JZLSKSGXIAZABW-UHFFFAOYSA-N 342.442 1.534 0 40 EDAB CCOC(=O)N1CCN(C(=O)C[C@@H](CC(=O)O)c2ccccc2)CC1 226750222 YUFZETOJORQBKI-HNNXBMFYSA-N 348.399 1.936 0 40 EDAB O=C([C@@H]1CCCNC1)N1CCC(c2cc(C3CCNCC3)[nH]n2)CC1 573919342 HAXZVLSQMKRNQQ-MRXNPFEDSA-N 345.491 1.582 0 40 EDAB Cc1nc(C)c(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)s1 225777062 DEXPCEWXIIDEPJ-UHFFFAOYSA-N 340.408 1.966 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(Cl)cc(F)c2N)C1 225563330 SWADKKUVSLLKFC-VIFPVBQESA-N 349.815 1.215 0 40 EDAB O[C@H](CN1CCc2ccccc2C1)Cn1nnc(-c2ccsc2)n1 193407784 ODNMPVGBRXUWHR-MRXNPFEDSA-N 341.440 1.821 0 40 EDAB CC(=O)N[C@H](CC(=O)N(CC(=O)O)C1CCOCC1)c1ccccc1 532602655 ZQPQKFJYOVZGSQ-MRXNPFEDSA-N 348.399 1.346 0 40 EDAB CC(C)c1nc(N[C@H]2CCCN(CC(F)(F)F)C2)nc(N(C)C)n1 577540666 JHGZPKUHSASHRX-NSHDSACASA-N 346.401 2.500 0 40 EDAB COc1ccccc1C1=NO[C@](C)(C(=O)NCC(=O)NC(C)C)C1 96193072 QWDJPOBVLCWTPS-KRWDZBQOSA-N 333.388 1.219 0 40 EDAB O=C([C@@H]1C[C@H]2OCC[C@H]2N(c2ncc(F)cn2)C1)N1CCCCO1 97953415 GOHOCQXHRMGZKR-MRVWCRGKSA-N 336.367 1.154 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(C[C@H]4CCCO4)CC3)nn2)n1 96453187 VVXLIVUCWLKZMC-OAHLLOKOSA-N 328.420 1.272 0 40 EDAB COCC[C@H]1CO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 96072060 ZUGQOXDHLBGTKW-CXAGYDPISA-N 330.388 1.387 0 40 EDAB O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 583325685 VWYLCYZJAKCAPB-APIJFGDWSA-N 349.431 1.378 0 40 EDAB CCS(=O)(=O)N1CCOC[C@H]1c1nccc(Nc2ccccn2)n1 96218105 UBRMACAQXDCTCA-LBPRGKRZSA-N 349.416 1.338 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)no1 96110099 YAVVDWCBKSMCMT-RDTXWAMCSA-N 342.399 1.143 0 40 EDAB CCc1ccc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 96306436 SRXYWUGXBSQWFR-UHFFFAOYSA-N 339.399 1.918 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@@H]2CN(c3ccccn3)CC[C@@H]2C1 96082393 XWUPTRCKGZUHIT-UKRRQHHQSA-N 337.445 1.101 0 40 EDAB C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CN(C)[C@@H]1COC[C@H]1O 585084509 JJGPKMLKSCHKDI-LXTVHRRPSA-N 328.453 1.571 0 40 EDAB C[C@@H]1OCCN(C(=O)NCc2ccccc2N2CCN(C)CC2)[C@@H]1C 95424542 XRCODHSJXVGPNB-CVEARBPZSA-N 346.475 1.757 0 40 EDAB Cc1cccc(CN2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)n1 96225519 KYABGVGTZQECFY-GOSISDBHSA-N 330.432 1.978 0 40 EDAB Cc1cc(CN2CCS(=O)(=NS(C)(=O)=O)CC2)ccc1F 585086172 VNSCZMLYJYQQOB-UHFFFAOYSA-N 334.438 1.377 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CC[C@@H](N3CCN4C(=O)CC[C@@H]4C3)C2)cn1 585079713 YRNRCQGSQOINPY-BRWVUGGUSA-N 342.443 1.348 0 40 EDAB CC(C)c1n[nH]c(NC(=O)CCCN2C(=O)c3cccnc3C2=O)n1 95477272 ZBTRMVIFVFSZKR-UHFFFAOYSA-N 342.359 1.338 0 40 EDAB c1ncc2c(c1COCCN1CCCC1)CCN([C@H]1CCOC1)C2 96067365 XRQPFDRAMBNFNF-SFHVURJKSA-N 331.460 1.841 0 40 EDAB Cc1ccc(CN2CCCn3c(nc(Cn4cncn4)cc3=O)C2)o1 96059617 XZWCJHBUSCOIRO-UHFFFAOYSA-N 340.387 1.190 0 40 EDAB CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cccc3c1OCCO3)CC[C@H]2OC 96108530 BVUBPUQWBSEPLN-ARFHVFGLSA-N 346.427 1.639 0 40 EDAB COc1ccc([C@@H]2Cn3nnc(CN4CCC(N)CC4)c3CO2)cc1 585139449 HZHRIQGFCAVBAU-SFHVURJKSA-N 343.431 1.481 0 40 EDAB C[C@@H]1CN(C[C@H]2CCCN2C(=O)OC(C)(C)C)CCS(=O)(=O)C1 585117608 NFQLMADEKDQCEG-ZIAGYGMSSA-N 346.493 1.752 0 40 EDAB O=C([C@H]1CCOC1)N1CC[C@@]2(CCCN(Cc3nccs3)C2)C1 247888624 XPKRLHRWHYBYSJ-WMLDXEAASA-N 335.473 1.994 0 40 EDAB c1ccc(COC[C@H]2CN(C[C@H]3CCOC3)Cc3ccnn3C2)nc1 253588653 MRVOFLPJMVKBNV-SJORKVTESA-N 342.443 1.963 0 40 EDAB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@H]1O 253389060 CJDRUOGAGYHKKD-STQSTJQHSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro CNc1cc(C)nc([C@@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)c1 257255759 KISKQKMMAOJUAT-CYBMUJFWSA-N 349.460 1.652 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@@H](c2cccnc2)c2c(O)n[nH]c2C[C@]1(C)O 252586488 QKICAXGIFLFMLC-JDFRZJQESA-N 331.372 1.517 0 40 EDAB CNC(=O)c1cc(C[C@@H]2CCCN(Cc3ccccn3)C2)nc(C)n1 257303861 SJCAPXJLGUFJHF-HNNXBMFYSA-N 339.443 1.994 0 40 EDAB CN(CCOc1cccc(CNC2=NCCN2)c1)C1CCOCC1 252481816 CTAUAZQJOMXLLQ-UHFFFAOYSA-N 332.448 1.225 0 40 EDAB Cc1noc([C@@H](C)N2CCN(C(=O)C3(C4CC4)CCOCC3)CC2)n1 253430424 ZLXQLRFTYGUVOH-CYBMUJFWSA-N 348.447 1.790 0 40 EDAB NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC=C(c3ccccc3)C2)O1 252482978 DRMLAQIHJNKOFC-CVEARBPZSA-N 329.400 1.518 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)c3ocnc3C)CC[C@H]21 257328044 XDVYPJUDPWUBFZ-UONOGXRCSA-N 335.404 1.473 0 40 EDAB CCc1noc(C)c1C(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257283899 PAKCBVCYQFLLRV-HOTGVXAUSA-N 345.399 1.985 0 40 EDAB CN(C(=O)c1ccc(OCCN)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257224571 FCIOMNHCDVUWAP-BRWVUGGUSA-N 344.415 1.057 0 40 EDAB C[C@@H]1CN(C(=O)Cn2cc(Nc3ncc(F)cn3)cn2)C[C@@H](C)O1 253427275 LPQILQHXWCCXGK-GHMZBOCLSA-N 334.355 1.192 0 40 EDAB CCOc1ccc2[nH]c(C(=O)N(C)[C@@H]3CC[C@@H](O)[C@@H]3O)c(C)c2c1 257244208 IKJTXFJYXNYAKU-BFYDXBDKSA-N 332.400 1.831 0 40 EDAB CN(C)c1cnc(C[C@@H]2CCCN(CC3(O)CCOCC3)CC2)cn1 257262500 LLRBCYXXYMIXHN-MRXNPFEDSA-N 348.491 1.729 0 40 EDAB CN1CCC(Cc2ccccc2F)(C(=O)N[C@H]2CCCNC2=O)CC1 257279663 OHQIDQDREOWQSU-INIZCTEOSA-N 347.434 1.475 0 40 EDAB Cn1nc(CNC(=O)Cn2c(=O)oc3ccccc32)cc1C1CC1 96099328 XXOJMCWPMXBVHG-UHFFFAOYSA-N 326.356 1.522 0 40 EDAB Cc1ccc(CNC(=O)CN2CC[C@@H](N(C)CCO)[C@H]2C)s1 1615583874 NVHPWDPFYFBMGJ-UKRRQHHQSA-N 325.478 1.060 0 40 EDAB CN1CCN(C(=O)[C@@H]2NCCOc3ccccc32)Cc2cccnc21 1615549509 WFLAEALLKSJODX-QGZVFWFLSA-N 338.411 1.583 0 40 EDAB CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCc2nnc(O)n2C1 1615591364 VUMGOEOYEPAFSL-JTQLQIEISA-N 338.770 1.997 0 40 EDAB CC(=O)CCCCS(=O)(=O)N1CCN(CC2CCOCC2)CC1 1615585361 CRPSBKSUKSYWMY-UHFFFAOYSA-N 346.493 1.120 0 40 EDAB OCCOC1(CNc2cc(NC3CC3)nc(Cl)n2)CCOCC1 1615613097 FIKCLGXMSRMAKW-UHFFFAOYSA-N 342.827 1.674 0 40 EDAB CO[C@@H]1CCN(c2ccc(NS(=O)(=O)c3cn(C)cn3)cc2)C1 96122382 MFEDOWJDIOHRRF-CQSZACIVSA-N 336.417 1.446 0 40 EDAB CC(C)CNC[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O 585284947 MGOQDSVZDVHGOV-DOTOQJQBSA-N 340.851 1.524 0 40 EDAB CC[C@H](CO)NC(=O)c1ccc(NCC(=O)N[C@H](C)C(C)C)cc1 65503586 OCPZDSMHHIHZTJ-UKRRQHHQSA-N 335.448 1.760 0 40 EDAB CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 65594286 KRBIJJPDGRWNSY-HOTGVXAUSA-N 345.443 1.686 0 40 EDAB Cc1nccn1[C@H]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1 69929397 LWUGJGSLRJMHQB-INIZCTEOSA-N 337.387 1.645 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1ccccc1 47164126 FZFGKHICGYXRGH-UHFFFAOYSA-N 332.381 1.893 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)N2CCN(c3nc(C)cs3)CC2)C1 48165989 RBBMELPPBSUREC-AWEZNQCLSA-N 336.461 1.359 0 40 EDAB NC(=O)C1(CNC(=O)c2cnc(-c3ccccc3)s2)CCOCC1 52744935 UFGCFQAKTGIJBK-UHFFFAOYSA-N 345.424 1.822 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 53894726 SNPOZHPBDDPELX-LBPRGKRZSA-N 346.362 1.532 0 40 EDAB COC[C@@H](C)NC(=O)C1CN(c2nc3c(OC)cccc3s2)C1 75172303 ROLQNRLYZOOJRP-SNVBAGLBSA-N 335.429 1.892 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)no1 89600940 WTSJYNOZXOYUBJ-IAGOWNOFSA-N 327.384 1.708 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 89938478 WKESLPJCPOICCU-SNVBAGLBSA-N 330.837 1.520 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 78901569 RGFPYDJOTBAUMP-LLVKDONJSA-N 331.376 1.062 0 40 EDAB CCN1CC[C@H](NCCNS(=O)(=O)c2ccc(C)s2)[C@H](C)C1 90581891 YTAFLBJJILSQGS-OCCSQVGLSA-N 345.534 1.655 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3Oc4ccccc4[C@H]3C)CCO2)n1 95402180 ZEMJYGFZAILQAG-DIOULYMOSA-N 342.399 1.832 0 40 EDAB COCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)CS(=O)(=O)C2 5078100 URZULUKVKWTGES-UHFFFAOYSA-N 335.385 1.194 0 40 EDAB Cc1cc2nc(COC(=O)CNC(=O)c3ccccc3)cc(=O)n2o1 15733920 ZWXMAZBYGZRGCY-UHFFFAOYSA-N 341.323 1.069 0 40 EDAB O=C([C@H]1CN(c2ccc3ccccc3n2)CCO1)N1CCOCC1 1889131821 WKTABLMBSQBPHW-MRXNPFEDSA-N 327.384 1.299 0 40 EDAB COc1ccccc1N1CCN(C(=O)c2ccc3nccn3n2)CC1 1889208829 ZVBBFUFIMHORRQ-UHFFFAOYSA-N 337.383 1.700 0 40 EDAB CCOCC(=O)N1CCC2(CC1)CC(=O)NCc1ccccc1N2 2037978461 XMTWETSAOQJTMO-UHFFFAOYSA-N 331.416 1.516 0 40 EDAB CC1=C(Br)CN(CCC(=O)N2CCN(C)CC2)CC1 330032353 MFXQZYRTJDGWMQ-UHFFFAOYSA-N 330.270 1.525 0 40 EDAB CC[C@H](C(=O)OC)n1cnc2c(nnn2-c2ccc(F)cc2)c1=O 4139901 QIMWZPZWLNXVBL-LLVKDONJSA-N 331.307 1.240 0 40 EDAB COCCCN[C@@H](CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)O 4939584 QNKPEKVVJUEEGA-AWEZNQCLSA-N 337.376 1.053 0 40 EDAB COc1ccccc1OCC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 5193329 ODUIYQVGPORLLB-AWEZNQCLSA-N 340.379 1.996 0 40 EDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2ccccc2)C1 2055772447 JKAHBVYUJQWLBT-LJQANCHMSA-N 340.427 1.532 0 40 EDAB Cc1cc(NC[C@@H](c2ccsc2)N2CCOCC2)n2ncnc2n1 1775972507 IOECCLKVTOLVKN-AWEZNQCLSA-N 344.444 1.980 0 40 EDAB Cc1cc(N2CCO[C@@H](C(=O)N3CCOCC3)C2)nc2ccccc12 2086864794 INYFYQIWQUQOJR-QGZVFWFLSA-N 341.411 1.607 0 40 EDAB O=C(NC[C@@]1(O)CCOC1)c1cc(Br)ccc1Cl 229688817 FIQYIUCHUZWFOF-LBPRGKRZSA-N 334.597 1.984 0 40 EDAB O=c1ccc(-c2ccc(F)cc2)nn1CC1(O)C[C@@H]2CC[C@H](C1)N2 12365189 WIRNUJYYBDHMFA-MVVMVCHASA-N 329.375 1.695 0 40 EDAB Cc1cnn(Cc2cc(C(=O)N[C@@H](CO)c3ccccc3)no2)c1 97232922 CAOYXLXYWVGRFT-INIZCTEOSA-N 326.356 1.691 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N[C@H](c1ccccc1)C1CCCCC1 50031873 DZJJQQQPGXVNLB-LJQANCHMSA-N 345.443 1.677 0 40 EDAB CC1CCN(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)CC1 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0 40 EDAB C[C@@H](SCCN1C(=O)NC(C)(C)C1=O)C(=O)N1CCCCC1 56242133 ZCKCMELRTKENEM-LLVKDONJSA-N 327.450 1.451 0 40 EDAB O=C(CCC(F)(F)F)NCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 107514717 CNIZWAQMPFSBCT-UKJIMTQDSA-N 344.333 1.642 0 40 EDAB Cn1nccc1CN1[C@@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 100121013 IPRMIXZIZFSEBG-CXAGYDPISA-N 340.431 1.309 0 40 EDAB C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 26225760 ILYZJLPJNJFISK-WBMJQRKESA-N 332.425 1.967 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cn4ccccc4n3)CC2)n1 57253863 JSEYVVHIGCQTJO-UHFFFAOYSA-N 338.371 1.095 0 40 EDAB COc1cc(NC(=O)COC(=O)c2ccc[nH]c2=O)cc(OC)c1 3228641 WNTDGDLNQHXBPM-UHFFFAOYSA-N 332.312 1.188 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cccc4[nH]ncc34)CC2)n1 57253968 VBQGPGBSIUCJIE-UHFFFAOYSA-N 338.371 1.324 0 40 EDAB C[C@H]1COCCN1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 26451233 IBGCQEFJKRMVGX-IHWZXDPASA-N 335.448 1.502 0 40 EDAB COC(=O)N1CCC(NC(=O)[C@@H](C)NC(=O)c2cccs2)CC1 57447335 FSQPRGOITNBSSW-SNVBAGLBSA-N 339.417 1.213 0 40 EDAB 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CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1 69737795 CFOOZLKPQHTQLF-LBPRGKRZSA-N 338.429 1.802 0 40 EDAB C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc(Cl)c2c(c1)OCO2 69770826 CSMGRYKQSOFEAD-NSHDSACASA-N 339.823 1.434 0 40 EDAB CCc1cccc2c1N(S(=O)(=O)c1cc(C(N)=O)n(C)c1)CCC2 69741324 MZTCMUTZSZMCHS-UHFFFAOYSA-N 347.440 1.828 0 40 EDAB Cc1cnn(C2CN([C@H](C)C(=O)N3CC(=O)Nc4ccccc43)C2)c1 69875283 ZJIHRCBRRPDLIK-CYBMUJFWSA-N 339.399 1.422 0 40 EDAB COc1cccc(CN2C(=O)CC[C@H](C(=O)O)[C@H]2c2cnn(C)c2)c1 69815440 VVFKNCXMEHEDPU-DOTOQJQBSA-N 343.383 1.993 0 40 EDAB O=C(OCCn1nc2ccccn2c1=O)C1=Cc2ccccc2OC1 69842791 UURXPTUZSFDEHT-UHFFFAOYSA-N 337.335 1.515 0 40 EDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@H](C(=O)O)C2)CC1=O 96597732 OUCTUCFGEIZBEJ-VNQPRFMTSA-N 344.411 1.919 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)NCCc1cccs1 69920001 DRCVBXYNWXNXMN-AWEZNQCLSA-N 333.461 1.411 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 69977793 NAFJZCSPSRXSKP-AWEZNQCLSA-N 346.456 1.909 0 40 EDAB CN(CC(=O)NCc1ccc(F)cc1)CC1CCN(CCO)CC1 69928985 DIUJKCXFSBSLOJ-UHFFFAOYSA-N 337.439 1.078 0 40 EDAB CCN1CCCC[C@@H]1C(=O)OCc1cc(=O)n2c(C)cccc2n1 71921313 YQNJMADXWKBAOS-OAHLLOKOSA-N 329.400 1.921 0 40 EDAB CC[C@@H](CO)NC(=O)Cc1ccc(NCc2nc(C3CC3)no2)cc1 71922459 RIGRCNWWBNQEOW-AWEZNQCLSA-N 344.415 1.989 0 40 EDAB O=C(c1cn[nH]n1)N1CCN([C@@H](c2ccccc2)C(F)(F)F)CC1 95396190 OSVJKAHQXRIBHR-ZDUSSCGKSA-N 339.321 1.866 0 40 EDAB Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)no1 95448059 XVUKZKZRPXGQFV-GFCCVEGCSA-N 346.362 1.846 0 40 EDAB O=C(N[C@H]1CCCC[C@H]1O)c1ccc(CN2CCC(CO)CC2)cc1 95450584 FSGDUIBXDCGJDL-RBUKOAKNSA-N 346.471 1.924 0 40 EDAB CN(C)C(=O)CCC[S@@](=O)CC(=O)Nc1ccc(Cl)cc1 95413712 FERGPZKZHYUTHR-NRFANRHFSA-N 330.837 1.896 0 40 EDAB Nc1c(C(=O)NCc2nnc3n2CCC3)cnn1C1CCCCC1 95455144 HEEUPYISAWCEGI-UHFFFAOYSA-N 329.408 1.438 0 40 EDAB CC[C@H]1CCCCN1C(=O)COc1cnc(S(C)(=O)=O)nc1 95941598 YQCOOGAWSNWUTM-NSHDSACASA-N 327.406 1.050 0 40 EDAB COc1ccc(-c2nc(CS(=O)(=O)C[C@H]3CCCO3)no2)cc1 89455366 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RIHRDNHWUHSGJI-JTQLQIEISA-N 330.406 1.520 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2C(F)(F)F)CCO1 121806636 LWAZAEMPYMYHPE-NSHDSACASA-N 335.253 1.859 0 40 EDAB CSc1ccccc1NC(=O)C1CN(S(=O)(=O)C2CC2)C1 70838343 ZNMZYEUONQTKDJ-UHFFFAOYSA-N 326.443 1.771 0 40 EDAB O=C(NCCC(=O)N1CCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 32716741 ZQRMWFJEVAHYFM-KRWDZBQOSA-N 346.427 1.987 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C 76958472 FXPCSNGAUUZJGD-HZPDHXFCSA-N 338.473 1.886 0 40 EDAB COCCCNC(=O)CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O 36596963 FYLYZSQONLZKGC-CQSZACIVSA-N 333.388 1.244 0 40 EDAB O=C1CC[C@H](C(=O)N2CC[C@H](CNc3cnc4ccccc4n3)C2)N1 1060827267 QICHVAYXKGCWFY-IUODEOHRSA-N 339.399 1.169 0 40 EDAB NC(=O)CN[C@@H]1C2=C(CCCC2)C(=O)N1CCc1ccc(Cl)cc1 199430994 WAPFERZMHDPAGK-KRWDZBQOSA-N 347.846 1.996 0 40 EDAB CN(C)S(=O)(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165959 VUORTDQNNOZHSK-UONOGXRCSA-N 341.433 1.942 0 40 EDAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 223185273 CKQDFPUDJAGVFD-CYBMUJFWSA-N 329.404 1.195 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(c2cc(C(N)=O)[nH]n2)CC1 225559266 YGFOAZNLMLWYGN-GFCCVEGCSA-N 342.399 1.682 0 40 EDAB CCOC[C@H](O)Cn1cnc2cc(Br)ccc2c1=O 193810603 KGFWRZMMBWIESF-SNVBAGLBSA-N 327.178 1.556 0 40 EDAB CCCN1CC[C@H](CNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 225653443 SDSISISPVHGUHM-MRXNPFEDSA-N 339.528 1.044 0 40 EDAB COc1ccccc1C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 40285778 DDMJJBXJCCALLR-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB COCCCNC(=O)Cn1cc(COc2ccccc2OC)nn1 227160778 DBYIJLWPHYEDLD-UHFFFAOYSA-N 334.376 1.018 0 40 EDAB COc1ccc(CN2C[C@@H]3COC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)cc1 96064497 CINVPWGGARQOIZ-KBAYOESNSA-N 346.427 1.554 0 40 EDAB Cc1nc(CN2CCn3c(C(=O)N4CCCC4)cnc3C2)cs1 96068876 LIEBAZJSQFNHIK-UHFFFAOYSA-N 331.445 1.900 0 40 EDAB CCS(=O)(=O)N1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 96202192 ITZLQYQWECGLJZ-OAHLLOKOSA-N 344.502 1.622 0 40 EDAB O=c1cccnn1C[C@H]1CN(Cc2nccs2)Cc2nccn2C1 96188728 PQUGNCFGFITOAS-ZDUSSCGKSA-N 342.428 1.229 0 40 EDAB O=C(c1ccco1)N1CCCn2nnc(COc3ccccn3)c2C1 96084393 UVDXJECHMCSEJS-UHFFFAOYSA-N 339.355 1.891 0 40 EDAB O=C(C[C@H]1C[C@H]2CN(CC3CCOCC3)C[C@H]2O1)NCc1ccco1 96208126 OWGUROLOPUKELQ-CGTJXYLNSA-N 348.443 1.802 0 40 EDAB CCn1cc2c(n1)CN(C(=O)c1ccncn1)C[C@@H]2COCC1CC1 96045246 RIFIYZCNYVEVIC-CQSZACIVSA-N 341.415 1.859 0 40 EDAB C[C@H](C(=O)N[C@H](C)C(=O)N1CCOCC1)c1cc2ccccc2o1 96451203 IBOOESMCQWNCDY-QWHCGFSZSA-N 330.384 1.900 0 40 EDAB Cc1nc(CCNC(=O)[C@H]2CCOc3ccccc3C2)cc(=O)[nH]1 95523002 XPBYIHZWKOWLNV-AWEZNQCLSA-N 327.384 1.378 0 40 EDAB Cc1nnc(CN[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1C1CC1 583620136 BZQMUBDFTQLNSQ-PBHICJAKSA-N 326.404 1.378 0 40 EDAB COC[C@]12CCCO[C@H]1CCN(S(=O)(=O)c1ccccc1)C2 96039049 JZQVADSDBHEHDG-JKSUJKDBSA-N 325.430 1.893 0 40 EDAB CCn1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)n1 96181646 RJFWTUMXKAHJSM-JKSUJKDBSA-N 346.362 1.579 0 40 EDAB c1cncc(CO[C@@H]2CN(CCN3CCCC3)[C@@H]3CCCO[C@H]23)c1 96065935 GMZVZYOMNYKXCV-QRVBRYPASA-N 331.460 1.926 0 40 EDAB Cc1cccc(CN2CCn3c(COc4ncccn4)nnc3C2)n1 96259048 SOGILSGOCFTRIN-UHFFFAOYSA-N 337.387 1.366 0 40 EDAB COCCOc1ccc(CC(=O)NCc2cnc3nccn3c2)cc1 583806628 JRUOHHLOVOILLS-UHFFFAOYSA-N 340.383 1.613 0 40 EDAB Cn1c(C(=O)NCCCNS(C)(=O)=O)ccc1-c1ccccc1 96426191 OFKMWEZIDYMMSQ-UHFFFAOYSA-N 335.429 1.361 0 40 EDAB CCc1cnc(N2CCN(CC(=O)NCc3ccco3)CC2)s1 96441505 CWDFNTWRNFCWIZ-UHFFFAOYSA-N 334.445 1.737 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@]2(C[C@H](Oc3ncccn3)CO2)C1 96222662 ZBBJOWYLWRNOGL-DZGCQCFKSA-N 341.433 1.219 0 40 EDAB O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N[C@@H]1CCN(CC(F)(F)F)C1 97378521 SOLJGXVDTNPCMA-UPJWGTAASA-N 335.370 1.880 0 40 EDAB Cc1nc(-n2cccc2)sc1C(=O)N1CC(N2C(=O)COC2=O)C1 238956948 YBIOPAKSOQODMT-UHFFFAOYSA-N 346.368 1.045 0 40 EDAB CCCCN(C)c1ccc(C(=O)N2C[C@H]3C[C@H]2CS3(=O)=O)cc1 585087246 YSBXAVHXYMJSOT-JKSUJKDBSA-N 336.457 1.934 0 40 EDAB Cn1cnc(NC(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)n1 585090742 CDGGQUMCBKIASI-ZBEGNZNMSA-N 335.408 1.791 0 40 EDAB CCn1cncc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1=O 585125080 FVJDTJGZTYLHOZ-UHFFFAOYSA-N 329.282 1.426 0 40 EDAB COc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nnn1Cc1ccc(C)cc1 96183376 KPMAPJHWMXZKOP-OKILXGFUSA-N 344.415 1.893 0 40 EDAB CN1C[C@@]2(C)CN(S(=O)(=O)c3cnc(Cl)n3C)C[C@]2(C)C1 585134762 JFSHKDZVDOKWSO-STQMWFEESA-N 332.857 1.036 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](OCc3cccc(C)n3)CCO2)C1 247890756 VEPVAZNWNAVHBT-HNNXBMFYSA-N 340.445 1.490 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CN(C2CCCC2)Cc2ccnn21 247479932 ILMUEENHHXQFAB-QGZVFWFLSA-N 325.416 1.894 0 40 EDAB CC(=O)N1CCn2cc(C(=O)NCCc3cccs3)nc2[C@H]1C 247913808 FIQPIJMGPXZSLM-LLVKDONJSA-N 332.429 1.840 0 40 EDAB CN(C)C(=O)[C@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2)CCN1C 257288338 PTUOMKBDNPICIM-OAHLLOKOSA-N 335.423 1.334 0 40 EDAB C[C@@](O)(CCc1ccccc1)C(=O)N1CCC[C@@H](c2nnc[nH]2)C1 252487663 HZEXPSXNPAJUTI-CRAIPNDOSA-N 328.416 1.895 0 40 EDAB O=C1CCCCCN1CC(=O)N1CCO[C@H](CCc2ccncn2)C1 257284156 PBKBHYRNLWFMCH-MRXNPFEDSA-N 346.431 1.039 0 40 EDAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)c1cnccn1 257314953 UZGUQJIPFLLFOI-OPNNQBFTSA-N 346.475 1.953 0 40 EDAB COc1ccc(CC(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)cc1 257293118 QOEOISRLKLEBHH-ZHALLVOQSA-N 332.444 1.684 0 40 EDAB Cc1cnn(CC(=O)N2C[C@H]3CC[C@@H](Nc4cnccn4)[C@H]3C2)c1 257205578 AZSGHWXQCPGYKQ-QLFBSQMISA-N 326.404 1.331 0 40 EDAB O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 85560801 MNINOBCZBSQSKS-CYBMUJFWSA-N 343.335 1.998 0 40 EDAB CC[C@H](C)[C@@H](C(=O)NCCCc1nc2ccccc2[nH]1)n1cnnn1 604419076 XIGILXMLHUYPAX-LRDDRELGSA-N 341.419 1.886 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3ccncc3CO)CC2)C1 1615057262 ZRCIYJTWTUFPMP-IYBDPMFKSA-N 346.475 1.200 0 40 EDAB CN(CCc1ncccn1)C(=O)CCNC(=O)Cc1ccccc1 1615548990 PTOUSTGOWJBBJV-UHFFFAOYSA-N 326.400 1.227 0 40 EDAB CN1CCN=C1[C@H]1CCCN(S(=O)(=O)N(C)C2CCCC2)C1 1616036353 JWXAPPKMNKAYOU-ZDUSSCGKSA-N 328.482 1.162 0 40 EDAB CN(C)c1nc(N)nc(CN2CCC(c3ccc(F)cn3)CC2)n1 606445377 AFYIUABNWMEOJZ-UHFFFAOYSA-N 331.399 1.434 0 40 EDAB Cc1ccc(N2CCC[C@]3(CN(C(=O)c4cc[nH]n4)CCO3)C2)nn1 96090071 HBEIISGISJELKV-QGZVFWFLSA-N 342.403 1.020 0 40 EDAB CO[C@@](C)(CNC(=O)CN1C(=O)CCC1=O)c1cccc(Cl)c1 96392405 ZPFZEEZMOBTLND-INIZCTEOSA-N 338.791 1.467 0 40 EDAB O=C(NCCCn1ccc2cccnc21)c1cccc(-n2cnnn2)c1 96353249 BIEYGTUTZCDSMO-UHFFFAOYSA-N 347.382 1.832 0 40 EDAB O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccccc1O 390835386 MGARZCICHBMJRZ-SNVBAGLBSA-N 341.410 1.018 0 40 EDAB CO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1cc(C)cc(C)c1)C2 575406069 VCYLKBPKYCYKPP-AWEZNQCLSA-N 325.430 1.872 0 40 EDAB CC(C)c1ccccc1OCCNC(=O)N1CCO[C@@H](C(=O)O)C1 666527385 BYYBGIIDLOQXSK-OAHLLOKOSA-N 336.388 1.684 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CCN(CC(=O)N(C)C)C3)C1 585112034 KITGDMYZQMTSRB-BETUJISGSA-N 348.447 1.239 0 40 EDAB O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CNC2CCCCC2)C1 585283839 PCOKHPKQVBTIQX-AZUAARDMSA-N 346.471 1.476 0 40 EDAB CCOc1ccccc1N1C[C@@H](C(=O)NCCN(C)C2CC2)CC1=O 65403025 ZCGRMXJPKWFKFS-AWEZNQCLSA-N 345.443 1.649 0 40 EDAB CN(Cc1ccccc1N1CCCC1)C(=O)CNC(=O)NC1CC1 72285159 ZSLVXQDVEQAGSX-UHFFFAOYSA-N 330.432 1.707 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CSC(=O)N1 73945713 LOESERAYIVARMV-UKRRQHHQSA-N 348.472 1.138 0 40 EDAB Cc1nc(CN(C)[C@@H]2CCN(CC(=O)N[C@@H](C)c3ccco3)C2)no1 76047380 GBYZYIANMXKRTL-GXTWGEPZSA-N 347.419 1.355 0 40 EDAB CCc1nc(CN2CCN(C(=O)C3C[C@H](C)O[C@@H](C)C3)CC2)no1 94125120 FWMFPHZORZOIGE-STQMWFEESA-N 336.436 1.480 0 40 EDAB CC(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1 40553465 IPZGBQGXJHZDOU-UHFFFAOYSA-N 335.429 1.874 0 40 EDAB CCc1n[nH]c([C@H]2CN(C[C@H](O)COCc3ccccc3)CCO2)n1 89289831 VZFXTKDABIQZBK-JKSUJKDBSA-N 346.431 1.318 0 40 EDAB COC[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O 1606813301 SENWNBXJYWWKHU-HNNXBMFYSA-N 330.340 1.490 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220724369 ZIZRQTLEODRPLC-LLVKDONJSA-N 328.372 1.730 0 40 EDAB COc1ccc(C)cc1N1CCCn2c1nc1c2c(=O)[nH]c(=O)n1C 5252018 ZZMOPBHCFVACQY-UHFFFAOYSA-N 341.371 1.282 0 40 EDAB COc1ccc(CC(=O)NCCc2nc(-c3ccncc3)n[nH]2)cc1 12114867 POPUCJOYLKUIJH-UHFFFAOYSA-N 337.383 1.777 0 40 EDAB Cc1ccccc1CNc1nc(CCCN2CCOCC2)cc(=O)[nH]1 19237288 JXOICAOYDIRRIU-UHFFFAOYSA-N 342.443 1.955 0 40 EDAB COc1ncc(C2(O)CCN(Cc3ccc(O)cc3)CC2)c(OC)n1 19594849 WUYHOVOGRYBUOF-UHFFFAOYSA-N 345.399 1.683 0 40 EDAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CC[C@]2(CCOC2)C1 154872782 SVXDNEPSMHTWJQ-SFHVURJKSA-N 325.368 1.485 0 40 EDAB COc1ccccc1C(=O)N1CCC[C@]1(C(N)=O)c1cnccn1 607854746 SLFCCDKJIGPNCT-QGZVFWFLSA-N 326.356 1.102 0 40 EDAB Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)O)N1CCN(C)CC1 22466449 HCAAXHBRWLBYAF-CQSZACIVSA-N 339.823 1.678 0 40 EDAB O=C(CN1CCC[C@@H]1[C@H]1COCC[C@H]1O)NCCC1=CCCCC1 583614693 DUMSEKXDABUPJJ-KZNAEPCWSA-N 336.476 1.855 0 40 EDAB Brc1cnccc1O[C@H]1CCN(Cc2nnco2)C1 1848662350 HLVVYCRLUCYJGG-VIFPVBQESA-N 325.166 1.880 0 40 EDAB CC1(C)NC(=O)N(CC(=O)Nc2cccc(Br)c2)C1=O 4516781 JYTRBDKPWZAARJ-UHFFFAOYSA-N 340.177 1.718 0 40 EDAB CC(C)Sc1ccc(CC(=O)N2CC(N3C(=O)COC3=O)C2)cc1 245093497 RQVIFPQFLKXKHV-UHFFFAOYSA-N 348.424 1.919 0 40 EDAB CC(C)N1CCO[C@H]2CN(C(=O)c3cc(F)ncc3F)CC[C@@H]2C1 1565548287 XHFVIZIIAUNEKW-DOMZBBRYSA-N 339.386 1.931 0 40 EDAB CCCn1c(C)cn2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 5144562 NSXQRPKTZNXBGV-SNVBAGLBSA-N 331.376 1.018 0 40 EDAB CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)c3ccc4c(ccn4C)c3)C[C@H]12 2055713377 HRHBAJDHWJJYLB-DZGCQCFKSA-N 340.383 1.093 0 40 EDAB COCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1 2055739385 UBZHFGPFQFWYMQ-UHFFFAOYSA-N 349.406 1.524 0 40 EDAB Cc1nnc2ccc(N3CCCN(c4ncnc5[nH]ccc45)CC3)nn12 1775967020 BPXGASBEOLPVRB-UHFFFAOYSA-N 349.402 1.421 0 40 EDAB CCCc1cc(=O)n(CC(=O)Nc2cc(OC)ccc2OC)cn1 36703793 ZCZZEMFRIMIIBN-UHFFFAOYSA-N 331.372 1.852 0 40 EDAB Cc1cc(NC(=O)C(=O)NCc2nc(-c3ccccc3)no2)no1 38717158 PRXLOLACYAVXQL-UHFFFAOYSA-N 327.300 1.288 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CC2)o1 30562939 UXBNXBPEPCXKCN-UHFFFAOYSA-N 334.397 1.649 0 40 EDAB CC(C)c1noc(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 30693781 XZWGYRGTLVALNX-MRXNPFEDSA-N 343.431 1.537 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cc(C)cc(C)c1 30848446 VJTFYHZBIJXHES-HNNXBMFYSA-N 334.416 1.737 0 40 EDAB Cc1ccccc1NCCC(=O)N1CCN(c2ncccn2)CC1 40457406 ZZTDWDBLBXWDTM-UHFFFAOYSA-N 325.416 1.936 0 40 EDAB C[C@@]1(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CCS(=O)(=O)C1 40466539 ZAFBZQKFQXGREX-TZMCWYRMSA-N 329.805 1.337 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 31402877 COECUVMCARXCTI-SOUVJXGZSA-N 343.431 1.710 0 40 EDAB COc1ccccc1NC(=O)COC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646865 CHRPYWHMAGFTPE-FFEYXXLKSA-N 345.351 1.375 0 40 EDAB CC[C@H](C)NC(=O)CS(=O)(=O)Cc1nc2ccccc2nc1C 40528588 DTPHYLNGBZCEOD-NSHDSACASA-N 335.429 1.768 0 40 EDAB COc1cccc(CNC(=O)c2c(C)oc(C)c2S(N)(=O)=O)c1 40527828 SPUURVGTOBSWQH-UHFFFAOYSA-N 338.385 1.482 0 40 EDAB COCC(=O)N1CCN(Cc2coc(-c3ccc(C)cc3)n2)CC1 40540693 KDSXZCFBLXXPRN-UHFFFAOYSA-N 329.400 1.941 0 40 EDAB CC(C)NC(=O)CN1CCCN(C(=O)Cc2ccccc2F)CC1 40512861 HCGKKPHTUZQBRP-UHFFFAOYSA-N 335.423 1.427 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(OCC(C)C)cc2)CC1 40512077 NQXHWOUUTUMART-UHFFFAOYSA-N 340.445 1.574 0 40 EDAB CC(C)N(CCCNC(=O)Cc1cccc(F)c1)S(C)(=O)=O 40535329 TVFVESYDHOPQBA-UHFFFAOYSA-N 330.425 1.545 0 40 EDAB NC(=O)C1CCN(CC(=O)Nc2ccn(Cc3ccccc3)n2)CC1 51186387 WSDFQVUBIIATHP-UHFFFAOYSA-N 341.415 1.067 0 40 EDAB O=C(O)CCC(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccco1 20518996 GKHIXWLNCDBXRW-OAHLLOKOSA-N 329.312 1.742 0 40 EDAB C[C@H](C(=O)NCc1ccccc1F)S(=O)(=O)C[C@@H]1CCCO1 32926088 JTYFPOURXGQGTB-YPMHNXCESA-N 329.393 1.424 0 40 EDAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(N2CCCCC2)N1 542413 QHDIAWBQJBQLQA-ZDUSSCGKSA-N 330.388 1.364 0 40 EDAB CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 538256 RPEILDMSBKWTGO-OAFZBRQQSA-N 327.380 1.574 0 40 EDAB CCn1cnnc1CNC(=O)N(C)C[C@H]1COc2ccccc2O1 46964896 XZRJYYFUYVRPOX-LBPRGKRZSA-N 331.376 1.279 0 40 EDAB Cc1nn(CCO)c(C)c1CNCCc1cc(F)cc2c1OCOC2 78552730 KEQPSYNKIQQDKM-UHFFFAOYSA-N 349.406 1.830 0 40 EDAB Cc1cc(NC(=O)CCN2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)no1 78892797 AFRCFJGITAXODD-GFCCVEGCSA-N 348.407 1.627 0 40 EDAB Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900270 DAMCRYBERBCCFJ-OLZOCXBDSA-N 344.419 1.289 0 40 EDAB O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CCCCNC1=O 79156564 YJGRTFQKYUPEGT-QGZVFWFLSA-N 344.459 1.403 0 40 EDAB CN(C(=O)CNC(=O)c1cccc(F)c1)[C@@H]1CCCc2c1cnn2C 97083301 CFGMRGQKYNSUNE-OAHLLOKOSA-N 344.390 1.825 0 40 EDAB COc1ccc(CN2CCN(Cc3ccn(C)c(=O)c3)CC2)cc1F 42112410 ULHGWMROQFSMQQ-UHFFFAOYSA-N 345.418 1.851 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(N)n1 3605772 QUQHMYINPZYFHM-UHFFFAOYSA-N 347.400 1.549 0 40 EDAB Cc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 42235183 DOYFECOFZGRVJP-UHFFFAOYSA-N 346.364 1.445 0 40 EDAB COc1cccc([C@@H](CNS(=O)(=O)N2CCCCC2)N(C)C)c1 42669731 VJMVJOLPUSXDSY-MRXNPFEDSA-N 341.477 1.618 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCN(C[C@H]2CCOC2)CC1 47717436 UXHCWVAYFZZEMP-RHSMWYFYSA-N 332.400 1.007 0 40 EDAB CCc1nc2ccccc2n1CC(=O)NCc1nnc2ccccn12 24333205 OHDDTGWOJUOEHQ-UHFFFAOYSA-N 334.383 1.958 0 40 EDAB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 50446167 OGIACUYTWZKKEM-ZDUSSCGKSA-N 340.379 1.924 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)NCCN1CCc2sccc2C1 55341600 CEPZCUQICWBSKY-GFCCVEGCSA-N 344.502 1.436 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccc(C)cc3Cl)N2N1 10153009 YZIDJIHZMXUIBC-LBPRGKRZSA-N 347.806 1.903 0 40 EDAB O=C1CC[C@H](C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)CN1 55721524 PEJFDKJDNZMRCF-ZDUSSCGKSA-N 338.411 1.503 0 40 EDAB CCN1CCN([C@H](C)CNC(=O)Nc2nnc(C(C)C)s2)CC1 43695978 MHBXIMBWTQOYET-GFCCVEGCSA-N 340.497 1.809 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCc2cc(F)ccc2Br)C1 56465657 SBEKTCJAXVKXGE-MRVPVSSYSA-N 344.184 1.605 0 40 EDAB CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H](n2cncn2)C1 72234940 RJLAZUMFMSGYHE-OAHLLOKOSA-N 343.431 1.696 0 40 EDAB Cc1ccc(C)c(NC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1 9364659 NOBXGPJMXYBEOA-UHFFFAOYSA-N 343.408 1.981 0 40 EDAB COc1cc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)cc1Cl 58016159 OAERBQGRLVDXIR-QMMMGPOBSA-N 348.808 1.666 0 40 EDAB Cc1cc(N2CCSCC2)ccc1NC(=O)NCC(=O)N(C)C 51673489 KACGGVFYMBJRAN-UHFFFAOYSA-N 336.461 1.758 0 40 EDAB Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCCN(C)C(C)C 58005364 PMPFPAYEMZUUBG-UHFFFAOYSA-N 336.889 1.781 0 40 EDAB O=C(Nc1cccnc1-n1cncn1)[C@H]1CC(=O)N(c2ccccc2)C1 58191567 DWXCDALPYNSYSC-ZDUSSCGKSA-N 348.366 1.654 0 40 EDAB CNC(=O)c1ccc(CN(C(=O)c2cc(C)nn2C)C2CC2)cc1 58282127 LEQWJFWOCBPHRM-UHFFFAOYSA-N 326.400 1.893 0 40 EDAB O=c1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)[nH]c(=O)[nH]1 58279898 GNEXNFHKSPLMIU-CYBMUJFWSA-N 329.356 1.172 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12609819 WACIXMXEBVEAPU-JSGCOSHPSA-N 329.400 1.775 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)c1 44940944 ZSTSWXANJYKFAW-LBPRGKRZSA-N 338.429 1.236 0 40 EDAB CCn1cc(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)cn1 44937056 SOWOCMQXHWCWLN-CYBMUJFWSA-N 344.419 1.845 0 40 EDAB COc1ncccc1CNC(=O)c1ccc(CS(C)(=O)=O)cc1 44908526 KUXBFBOWVHRIEG-UHFFFAOYSA-N 334.397 1.565 0 40 EDAB CS(=O)(=O)c1nc(C(=O)NCC[C@@H]2CCCO2)c2ccccn12 58364071 FUWQTIIHYMIOIK-NSHDSACASA-N 337.401 1.037 0 40 EDAB COc1cc(/C=C2/NC(=S)N(C[C@H]3CCCO3)C2=O)ccc1O 102898393 YQPKZWCHJMBJCH-LAPSENCUSA-N 334.397 1.637 0 40 EDAB COc1c(CNCc2ccc(-n3cncn3)nc2)c(C(C)C)nn1C 58404198 UPJSRKCTKZVDKO-UHFFFAOYSA-N 341.419 1.818 0 40 EDAB O=C(NCCN1CCS(=O)(=O)CC1)c1cc2ccccc2cc1O 58441335 ASOUUFCWBQSYIX-UHFFFAOYSA-N 348.424 1.006 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)CCO1 10681822 ZBXCYBHXNKTNDE-SSDOTTSWSA-N 326.237 1.920 0 40 EDAB O=C(c1ccc2c(c1)CCO2)N1CCC[C@H](C(=O)N2CCOCC2)C1 45236177 KISCFNMFWKETED-INIZCTEOSA-N 344.411 1.333 0 40 EDAB CN(CCc1ccccn1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 36395502 FIWIXAMPLQLJKE-UHFFFAOYSA-N 345.424 1.830 0 40 EDAB COCCN1C[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1=O 45308806 RUUUINUYOZIREX-GJZGRUSLSA-N 349.431 1.028 0 40 EDAB CCCS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COCCN(C)C)C1 107711589 FTYKWMFKAYQFIB-HOTGVXAUSA-N 348.509 1.176 0 40 EDAB NC(=O)C1CCN(C(=O)c2cc(Br)ccc2O)CC1 12783932 LKBUYKOXHAMAFM-UHFFFAOYSA-N 327.178 1.492 0 40 EDAB O=C(c1nc2ncccn2n1)N1CCN(c2cccc(Cl)c2)CC1 36618834 PUNABEPVUJRRAP-UHFFFAOYSA-N 342.790 1.740 0 40 EDAB O=c1[nH]c2ccccc2nc1Cn1nc(-c2cccs2)oc1=O 97201465 FRUGQIJIMCDZJG-UHFFFAOYSA-N 326.337 1.850 0 40 EDAB CN1CCN(CC(=O)Nc2ccnn2Cc2cccc(Cl)c2)CC1 29596860 YSMLOYGLBYZCNB-UHFFFAOYSA-N 347.850 1.771 0 40 EDAB O=C(CCN1C(=O)COc2ccccc21)N[C@H]1CCN2CCCC[C@@H]12 60568014 UPGSWXHVKPIPKP-GJZGRUSLSA-N 343.427 1.545 0 40 EDAB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1CCCCCC1 12847111 KALHHILTXYWYPR-CYBMUJFWSA-N 343.387 1.610 0 40 EDAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(NC(N)=O)cc2)CC1 12854872 PBVOIFCWQLWHRW-GFCCVEGCSA-N 333.388 1.981 0 40 EDAB NC(=O)[C@@H]1C[C@@H](O)CN1c1nc(C(F)(F)F)nc2ccccc12 12846738 CIIKWDSNNNPNLJ-XCBNKYQSSA-N 326.278 1.074 0 40 EDAB O=C(O)[C@H]1CCCN1C(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 4085551 DMMAZPQZHAUUOG-TYNCELHUSA-N 332.381 1.332 0 40 EDAB biogenic CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)C(N)=O 4026406 BUXZSWUNYREWRZ-HZPDHXFCSA-N 345.443 1.236 0 40 EDAB biogenic CC(C)(C)NC(=O)CNC(=O)NCc1ccn(-c2ccc(F)cc2)n1 95448617 PHUYFRSQLNIRML-UHFFFAOYSA-N 347.394 1.725 0 40 EDAB O=C([C@@H]1CCCN(c2ccc3nnnn3n2)C1)N1CCCCCC1 95350146 OQQQOARGQRIKOL-CYBMUJFWSA-N 329.408 1.138 0 40 EDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cccc(C(=O)O)c1)CS2 95352029 CIVKQYHNMJAHCI-BLLLJJGKSA-N 334.397 1.455 0 40 EDAB CN(CCNC(=O)C1CCN(c2ccc(Cl)nn2)CC1)C1CC1 65433746 KJARGWHPVRKIMW-UHFFFAOYSA-N 337.855 1.557 0 40 EDAB CC[C@H](C)NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 4411408 SNHPXQSEOPGFNZ-LBPRGKRZSA-N 328.434 1.684 0 40 EDAB CN1N=C(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCC1=O 65624846 PYYQQKJNBQFNJN-INIZCTEOSA-N 342.443 1.623 0 40 EDAB CCOC(=O)c1ccc(OC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1 14200882 WJMRZTCOMKIUOB-OFQRWUPVSA-N 337.416 1.712 0 40 EDAB COc1ccc(-c2nn([C@H]3CC(=O)[C@@H]4OC[C@H]3O4)c(=S)n2C)cc1 6670381 WRMVYVASKKHCME-NJZAAPMLSA-N 347.396 1.882 0 40 EDAB O=C1C[C@H](n2nnnc2-c2ccc(C(F)(F)F)cc2)[C@H]2CO[C@@H]1O2 6658583 FZPDWWMKSYENLV-UFGOTCBOSA-N 340.261 1.614 0 40 EDAB O=C1CN(C(=O)COC(=O)Cc2cccs2)c2ccccc2N1 5786314 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O=C(CN(Cc1cccc(O)c1)C1CCC(O)CC1)N1CCOCC1 68973166 HHEBWRHSFFIWAV-UHFFFAOYSA-N 348.443 1.357 0 40 EDAB Cc1csc(NC(=O)CN(C)C[C@@H]2CCCN2c2cccnn2)n1 71860036 VJNHSQRRVSKTIL-ZDUSSCGKSA-N 346.460 1.781 0 40 EDAB CCCO[C@@H]1CCCN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)C1 71836807 LCCWHGDHDMAREH-PYUISTEWSA-N 346.427 1.982 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1cccc2c1OC(C)(C)C2 71829803 GQHJZTOUSLUQHR-TZMCWYRMSA-N 346.427 1.891 0 40 EDAB C[C@@H](NCc1csc(N(C)C)n1)c1ccc(S(N)(=O)=O)cc1 91366561 SSDNVFPPHUXISN-SNVBAGLBSA-N 340.474 1.707 0 40 EDAB C[C@H](NC(=O)N1CCN([C@H](C)c2ccccn2)CC1)[C@@H]1CCOC1 96503157 ZFHHTFRFKUXVPY-ARFHVFGLSA-N 332.448 1.895 0 40 EDAB CCCCN(C)C(=O)[C@H]1C[C@H](O)CN1C(=O)COc1ccccc1 71921244 ZBRVWHXSBHQPMM-GOEBONIOSA-N 334.416 1.286 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cn1 95449706 BGKDDHFNRTVLIF-CYBMUJFWSA-N 336.754 1.748 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1ccccn1 69374677 WNNZSTHEJMGQDB-UHFFFAOYSA-N 333.369 1.288 0 40 EDAB 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EDAB C/C(=C\C(=O)N[C@H](C)C(=O)N1CCOCC1)c1ccc(F)cc1F 98052913 LOEYCCVDRJZHRJ-LMMOQWNQSA-N 338.354 1.732 0 40 EDAB COc1nc(O)c2c(n1)NC(=O)[C@@H](CC(=O)Nc1ccccc1)C2 1548338292 CGUQGTRMGJCPCL-SECBINFHSA-N 328.328 1.330 0 40 EDAB COC(=O)c1ccc(OC[C@@H](O)CN(C)Cc2cccnc2)cc1 89363688 FBSLRIIQXFSZEC-INIZCTEOSA-N 330.384 1.740 0 40 EDAB Nc1c(C(=O)CSc2ccccc2F)c(=O)[nH]c(=O)n1C1CC1 9995872 NFEBXKBMLQJHIL-UHFFFAOYSA-N 335.360 1.568 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 75117423 MVIUNNIQUBQNLT-UHFFFAOYSA-N 325.368 1.346 0 40 EDAB COc1ccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1OC(F)F 75143130 BGSZAKVFTPUTRZ-SNVBAGLBSA-N 328.315 1.647 0 40 EDAB COCCNC(=O)Cn1cc(NC(=O)C2(c3ccccc3)CC2)cn1 75146212 MIIOLVFGCUMPRM-UHFFFAOYSA-N 342.399 1.316 0 40 EDAB CCCNC(=O)C[S@](=O)Cc1cc(Cl)cc2c1OCOC2 75473835 CAUOXWJOJCQEJP-NRFANRHFSA-N 331.821 1.981 0 40 EDAB CN1C(=O)N[C@](C)([C@H]2CCCN(CCOc3ccccc3)C2)C1=O 89914257 BQHHSAJKVJKIGW-KBXCAEBGSA-N 331.416 1.718 0 40 EDAB O=C(O)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 75572412 FHUFQHJRDCZUSR-OAHLLOKOSA-N 330.384 1.650 0 40 EDAB CCn1nc(C(C)C)cc1C(=O)N1CCO[C@H](c2nc(C)n[nH]2)C1 76045694 QKZUDILCLZYOBT-AWEZNQCLSA-N 332.408 1.667 0 40 EDAB O=C(C[C@@H](NCc1ccccc1)C(=O)O)Nc1ccc2c(c1)OCO2 28232129 GQHAGGKDHWYAEO-CQSZACIVSA-N 342.351 1.987 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306133505 MNKBAVIZRWNESR-CHWSQXEVSA-N 336.363 1.254 0 40 EDAB CC(C)CN1CCN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CC1=O 547645686 PTEITTRYOCGFBZ-HNNXBMFYSA-N 349.475 1.494 0 40 EDAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)NC[C@H]1CCCO1 38756849 NWAUESOOBKQGRE-VXGBXAGGSA-N 349.456 1.454 0 40 EDAB COc1cc2nc(NN)n(Cc3ccc(F)cc3)c(=O)c2cc1OC 408712753 NNVHFNLUTAYNDV-UHFFFAOYSA-N 344.346 1.887 0 40 EDAB Cc1ncccc1CNC(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 527969261 CYHUHRLRWPFYGX-AWEZNQCLSA-N 345.424 1.760 0 40 EDAB COCc1noc(CN2CCN(C(=O)c3cc(C)ccc3F)CC2)n1 187420459 QPGKDALVVKALOA-UHFFFAOYSA-N 348.378 1.622 0 40 EDAB CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2OC)NC(=O)NC1 31701600 ZSJKWDYANFGDAZ-UHFFFAOYSA-N 348.355 1.407 0 40 EDAB CN(C)C(=O)CN1CCC[C@@H](c2nccnc2Oc2cccnc2)C1 72362447 OKUFZXYALXWDON-CQSZACIVSA-N 341.415 1.932 0 40 EDAB O=C(c1cccnc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 75172225 GOVLYRPZXWQAFL-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB O=C(NCc1nc(C2CC2)n[nH]1)c1ccc(-n2cnnn2)cc1Cl 520511219 ZRKGBCLJFBIGHJ-UHFFFAOYSA-N 344.766 1.241 0 40 EDAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2C)cc1 32508584 HCOYKRZHNYSYTE-QWHCGFSZSA-N 326.443 1.395 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CCCN1c1nccs1)C2 72278987 VOWPJVGRRXIZAK-QWHCGFSZSA-N 331.445 1.748 0 40 EDAB C[C@H](C(=O)NCc1cccc(C(=O)NC2CC2)c1)c1ccnn1C 521396360 QICOUFGUILZZOB-LBPRGKRZSA-N 326.400 1.732 0 40 EDAB CN1CCn2c(nnc2[C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)C1 72373914 FNPIDKSFTOIVPK-HNNXBMFYSA-N 343.406 1.769 0 40 EDAB CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)Nc1c(F)cccc1F 126771689 JDXQLAHKJJAREW-MRVPVSSYSA-N 326.221 1.285 0 40 EDAB CC1(C)NC(=O)N(CCN2CCC[C@H]2COc2ccccc2)C1=O 79090804 PSURMIYGCLRFJL-AWEZNQCLSA-N 331.416 1.860 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@]3(COC[C@H]3CO3)O2)cc1 138939275 XFUHVCZVGQJFMO-XHWCBRGXSA-N 341.363 1.223 0 40 EDAB Cc1noc(-c2cn(CCNC(=O)c3ccc(Cl)s3)nn2)n1 225577422 VTBQAKDLCLIGQW-UHFFFAOYSA-N 338.780 1.781 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N1CCc2ccc(Cl)cc21 81305477 BGFOOMYGSRBFSN-UHFFFAOYSA-N 330.837 1.901 0 40 EDAB O=C1CCC(=O)N1CCN1CCN(Cc2cccc(F)c2F)CC1 81041076 COFHGMSPXWALNE-UHFFFAOYSA-N 337.370 1.231 0 40 EDAB CCCOc1cccc(CNC(=O)c2cn(C3CCNCC3)nn2)c1 195543270 YIDGFQZXBGUWAB-UHFFFAOYSA-N 343.431 1.921 0 40 EDAB Cc1ccccc1OCc1ncc(C(=O)O)c(N2CCOCC2)n1 49469364 KLSCKZLKZJXVKV-UHFFFAOYSA-N 329.356 1.899 0 40 EDAB C[C@H]1CN(c2ccnc(C(=O)NCCn3cccn3)c2)C[C@@H](C)O1 194486437 KCHOCMMMMWWSTL-OKILXGFUSA-N 329.404 1.322 0 40 EDAB CO[C@H](CNC(=O)C(=O)Nc1ccon1)c1ccc(Cl)s1 225707929 KDUMTCUJADREGU-SSDOTTSWSA-N 329.765 1.832 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NC[C@@H](O)c2c(F)cccc2F)C1 195544898 HDJSNWHLDGGVDS-ZWNOBZJWSA-N 334.388 1.565 0 40 EDAB COC(=O)[C@@H]1CN(Cc2nc3ccccc3n2C(F)F)CCO1 96443316 IJLWXRHLHUMYAW-LBPRGKRZSA-N 325.315 1.805 0 40 EDAB Cn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1ccoc1)CC2 96197441 LLMFSTZQIZXWNX-UHFFFAOYSA-N 339.399 1.760 0 40 EDAB CCCS(=O)(=O)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109025 HNSRHXUIBJLMCR-ZBFHGGJFSA-N 340.445 1.286 0 40 EDAB c1cnc(N2CCC[C@]3(CN(Cc4cccnc4)CCO3)C2)nc1 96074826 IUELBAITMGHMMK-SFHVURJKSA-N 325.416 1.743 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)N2CCn3ccnc3C2)[C@@H]1n1cccn1 579923919 MNKGUEMOKVUWPD-NFAWXSAZSA-N 330.392 1.024 0 40 EDAB O=C(c1cccnc1)N1CC[C@@]2(C[C@H](Oc3ncccn3)CO2)C1 96218752 WBXUQGZKVMKJGN-WMLDXEAASA-N 326.356 1.324 0 40 EDAB CCn1cnnc1[C@H]1CN(C(=O)NC[C@@]2(C)CCCS2)CCO1 583623642 RTWPFCMGMYEVPD-IUODEOHRSA-N 339.465 1.667 0 40 EDAB Cc1nccc([C@@H]2C[C@@H]3CCN(C(=O)c4cnccn4)C[C@H]3O2)n1 96046363 UDPCGLJCXKUXLX-VBNZEHGJSA-N 325.372 1.567 0 40 EDAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccnnc3)C2)o1 96217538 CKVZGOMUJAOPHH-QAPCUYQASA-N 342.399 1.256 0 40 EDAB Cc1cnc2c(S(=O)(=O)Nc3cnn(C)c3C(=O)O)cccc2c1 536686717 NPRYBTJGNGICAV-UHFFFAOYSA-N 346.368 1.776 0 40 EDAB CC(C)NC(=O)N1CCC2(CC1)OCCN(CCO)c1ccccc12 96243973 YBRUPMDTVQXCQH-UHFFFAOYSA-N 347.459 1.925 0 40 EDAB CCOC(=O)c1cn(CCNc2cc(C(F)(F)F)ncn2)cn1 585092728 LHTSMTQMPXTFFD-UHFFFAOYSA-N 329.282 1.981 0 40 EDAB O=C(NCC1CC1)[C@H]1CCC2(CCN(CC3CCOCC3)CC2)O1 96061209 PXUNOADOIHCHNY-QGZVFWFLSA-N 336.476 1.953 0 40 EDAB CO[C@@H]1COCC[C@H]1N1CCN(C(=O)c2cc(Cl)cn2C)CC1 585088334 WDVNZKWMNZFHKG-UKRRQHHQSA-N 341.839 1.240 0 40 EDAB O=C(c1ccoc1)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048364 GMFHRPKMJHWSNX-RHSMWYFYSA-N 328.372 1.945 0 40 EDAB CN(C)[C@@H](C(=O)N1CCc2[nH]cnc2C1)c1ccc2c(c1)OCO2 96161803 CNCXOKXNQKMXMZ-MRXNPFEDSA-N 328.372 1.326 0 40 EDAB Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3S(=O)(=O)C2CC2)n1 96186543 VYDCKKWCMXMRKQ-HZPDHXFCSA-N 349.456 1.448 0 40 EDAB COc1ccc(C(=O)CNC(=O)C2(n3cnnn3)CCCCC2)cc1 95472246 KTCYMTSPZUAYGC-UHFFFAOYSA-N 343.387 1.340 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 96040491 GLKDVGJWKANBCG-DZGCQCFKSA-N 344.408 1.430 0 40 EDAB CC(=O)NC(C)(C)c1noc(-c2cn(Cc3cccc(F)c3)nn2)n1 96467686 ZSQJXIGGIZMIOG-UHFFFAOYSA-N 344.350 1.887 0 40 EDAB Cc1nncn1CCNC(=O)[C@H](C)Oc1ccc(F)cc1Cl 96445367 KOHQTNHUQWMJNU-VIFPVBQESA-N 326.759 1.963 0 40 EDAB O=C(CSC[C@@H]1CCCCO1)N1CCS(=O)(=O)C[C@H]1C1CC1 585110563 HLZAZIYVAFMQMY-KBPBESRZSA-N 347.502 1.324 0 40 EDAB C[C@@](CO)(NC(=O)[C@H]1COCCO1)c1cccc(C(F)(F)F)c1 585112883 GWGQKFSGADCFNT-OCCSQVGLSA-N 333.306 1.445 0 40 EDAB CCc1nsc(NCC2CCN(S(=O)(=O)C(F)F)CC2)n1 95408616 GAOMWCRZKQSDDW-UHFFFAOYSA-N 340.421 1.777 0 40 EDAB O=C(c1ccnnc1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 96161703 PMDYFLUXPWAMPI-IYBDPMFKSA-N 326.375 1.820 0 40 EDAB Nc1cc(CC[C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)ccn1 257209793 BRXFFKMCWYZPLG-CQSZACIVSA-N 348.428 1.081 0 40 EDAB COCC(=O)N1CCC(c2cc(N3C[C@H](C)OC3=O)nc(C)n2)CC1 257341264 ZJOXMEDSYYEEDX-NSHDSACASA-N 348.403 1.483 0 40 EDAB COc1ccccc1CC(=O)N1CCO[C@H](c2ccnc(C)n2)C1 257310216 UEEXPBYGRIIRID-KRWDZBQOSA-N 327.384 1.936 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1scnc1C 257234922 GVQDJWRTMNFNTE-OAHLLOKOSA-N 331.401 1.119 0 40 EDAB CC(=O)N1[C@@H]2CN(C(=O)c3ccnnc3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257218832 DEODUOAFQKOVDQ-UIBIWLFHSA-N 328.416 1.871 0 40 EDAB CN(CCC(=O)N1CCO[C@@H](c2ccncc2)C1)Cc1cccnc1 257301920 SAOKWBUBIHQXGP-GOSISDBHSA-N 340.427 1.899 0 40 EDAB COc1ccc([C@@H]2CNCCN2C(=O)CCc2cnn(C)c2C)cc1 257272770 NDUBTYUWLSLPRH-SFHVURJKSA-N 342.443 1.843 0 40 EDAB CO[C@H]1CCN(C(=O)c2cccc(OCCN)c2)C[C@@]12CCCO2 257266261 MCFFZSQGNKNEMC-WMZOPIPTSA-N 334.416 1.434 0 40 EDAB CCn1cc(CN2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)c(C)n1 257317732 VKXNPECAHHKYEQ-LBPRGKRZSA-N 337.449 1.328 0 40 EDAB Cc1cc2cc(C(=O)N3C[C@@H](O)[C@H](N4CCN(C)CC4)C3)ccc2o1 257312470 UOCBBCIHSDZOKF-IAGOWNOFSA-N 343.427 1.174 0 40 EDAB CN(C(=O)c1cc(-c2ccccc2F)no1)[C@@H]1CCC[C@@H](O)[C@@H]1O 257322428 WFYAINCWIUZMHB-IIAWOOMASA-N 334.347 1.827 0 40 EDAB O=C(Cn1cc(Cl)cn1)NC[C@@]1(O)CCCN(c2ccccn2)C1 257257529 KQAPMRBDJUZYBV-INIZCTEOSA-N 349.822 1.079 0 40 EDAB CCOc1nc(C)ccc1C(=O)N1CCc2nn(C)c(=O)cc2C1 276871941 KGALJQPTEBMDTR-UHFFFAOYSA-N 328.372 1.081 0 40 EDAB CC(C)(C)c1ccc2nn(CC(=O)NCc3ccco3)c(=O)n2n1 1614693147 SWQGHQFSLVIWHG-UHFFFAOYSA-N 329.360 1.098 0 40 EDAB C[C@H](CCO)CN[C@H]1CCO[C@]12CCN(C(=O)OC(C)(C)C)C2 1616036524 XCZKFIFGLCUVGO-KEYYUXOJSA-N 328.453 1.763 0 40 EDAB Cc1ccc(NC(=S)NCCN[C@]2(C)CCS(=O)(=O)C2)cc1 575420863 KOPVXQYFRMXUOA-OAHLLOKOSA-N 341.502 1.448 0 40 EDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)CCCn2cncn2)cc1 585276104 JVHCVPSACLISPB-ROUUACIJSA-N 342.443 1.961 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)c3cnn(C)c3)CCO2)c1 585275212 AKORWYOKKFXKTK-GOSISDBHSA-N 329.400 1.175 0 40 EDAB CN1C[C@H](c2ccccc2)[C@]2(CCN(C(=O)C3CC(O)C3)C2)C1=O 585106930 LJYHJJULJKRRIB-YBSITQRDSA-N 328.412 1.232 0 40 EDAB CN(C)C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21 585111896 IOCAMCINZIZKNQ-MRXNPFEDSA-N 331.395 1.850 0 40 EDAB CN(CCN(C)C(=O)C1(C)CCOCC1)C(=O)C1(C)CCOCC1 65612050 VQXIXPHONNPCNJ-UHFFFAOYSA-N 340.464 1.537 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1csc(S(N)(=O)=O)c1 68016390 WNPMEWXYGGVGSX-PWSUYJOCSA-N 346.474 1.721 0 40 EDAB O=C(Nc1cc(Cl)ccc1O)C1CCN(CCn2cncn2)CC1 69569068 VJXNOICHBOKGGD-UHFFFAOYSA-N 349.822 1.988 0 40 EDAB O=C(NC1CCCCC1)N1CC(c2nc(-c3ncccn3)no2)C1 49483207 PCWLMBNLVJAWQZ-UHFFFAOYSA-N 328.376 1.968 0 40 EDAB Cc1nc(CCC(=O)N(C)C)cc([C@@H]2CCCN2Cc2ncc[nH]2)n1 72367037 OUJQQKAYJDNTHR-INIZCTEOSA-N 342.447 1.866 0 40 EDAB CC(C)C(=O)N1CCCN(C(=O)Nc2cnn(CC(F)F)c2)CC1 72547902 RESDUXROADMBIT-UHFFFAOYSA-N 343.378 1.870 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)Cc3c(C)noc3Cl)CCO2)n1 76046689 QQCWKVCHGBRFKX-SNVBAGLBSA-N 325.756 1.206 0 40 EDAB Cc1nsc(N2CCN(c3nccc(N4CCCC4)n3)CC2)n1 749281082 DEHPUMKRMRXWLB-UHFFFAOYSA-N 331.449 1.563 0 40 EDAB CCc1cnc(CNC(=O)c2c[nH]nc2I)o1 585121897 FFPPLQMGUJFVMD-UHFFFAOYSA-N 346.128 1.495 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccccc2)cc1 5746398 FSZSNXZEJVVQES-UHFFFAOYSA-N 348.424 1.469 0 40 EDAB Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)CO)cc2n(C)c1=O 5350673 GYOPLOWWFKTEHO-UHFFFAOYSA-N 327.384 1.433 0 40 EDAB Cc1cc(N(CC(=O)N2CCOCC2)Cc2ccccc2)nc(C)n1 5541408 AJSWQEHGLBCNHE-UHFFFAOYSA-N 340.427 1.959 0 40 EDAB Cc1nc(O)cc([C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 12337889 OEGITIUGTBXLHI-ZDUSSCGKSA-N 341.367 1.778 0 40 EDAB O=CN1CCN(c2nc(-c3ccc4ccccc4c3)cc(=O)[nH]2)CC1 14162233 SIEHBLKOCHCGQG-UHFFFAOYSA-N 334.379 1.869 0 40 EDAB O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1c(F)c(F)c(F)c(F)c1F 17067940 QMCJUFVZYPZBEC-FBXFSONDSA-N 331.196 1.825 0 40 EDAB COCc1nnc(NC(=O)c2nnn(-c3ccccc3F)c2C)s1 19557816 HWQCMILTUFBQAH-UHFFFAOYSA-N 348.363 1.965 0 40 EDAB O=C(COc1ccc(Cl)cc1)NC[C@H](O)Cn1ccccc1=O 208004817 DBWMMJZOHXTIID-ZDUSSCGKSA-N 336.775 1.058 0 40 EDAB CCOC(=O)CCCNC(=O)COC(=O)c1ccc2c(c1)OCO2 3436834 HSBOEPVXPWLWAZ-UHFFFAOYSA-N 337.328 1.032 0 40 EDAB O=C1[C@@H]2CN(c3ccnc(C4CC4)n3)C[C@@H]2C(=O)N1c1ccccc1 1888854138 YTAMYBRVMJRHSP-GASCZTMLSA-N 334.379 1.980 0 40 EDAB COCc1nsc(N2CCC[C@H](N(C)c3ncc(C)cn3)C2)n1 1888860069 XYUCSSDKXTVENH-LBPRGKRZSA-N 334.449 1.888 0 40 EDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)[C@@H]5CC5(C)C)C[C@H]4C3)ncnc21 1888865750 SAZYUTGGTAVUIA-UPJWGTAASA-N 340.431 1.304 0 40 EDAB Cc1cc(N2CCN(c3nnc(C)s3)CC2)nc(N2CCCC2)n1 1888897898 HIYHGAYYVMJIHY-UHFFFAOYSA-N 345.476 1.872 0 40 EDAB CCN=c1ccnc(N2CCN(Cc3ccc(F)cc3F)CC2)[nH]1 1889130261 IZPFUVJIMXJTNM-UHFFFAOYSA-N 333.386 1.931 0 40 EDAB O[C@@H](CNC1CCN(Cc2ccccc2)CC1)COC[C@H]1CCCO1 6083778 IYPOWFDNHMFMOJ-VQTJNVASSA-N 348.487 1.797 0 40 EDAB COCCC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 2037838731 YYMRHHVEIJVZAE-UHFFFAOYSA-N 332.400 1.448 0 40 EDAB Cn1nccc1C(=O)N1CCC[C@@](O)(COc2ccccc2)CC1 2037905592 MTGQLCJYDGKDNV-SFHVURJKSA-N 329.400 1.856 0 40 EDAB CC(C)N1C[C@]2(CCN(C(=O)COc3ccccc3)C2)COCC1=O 2037985311 FGAKKCIRUYSMKG-LJQANCHMSA-N 346.427 1.551 0 40 EDAB COc1ccccc1S(=O)(=O)NC[C@@]1(O)CCCc2occc21 1565522592 LBBQRXAJVYHXMH-INIZCTEOSA-N 337.397 1.791 0 40 EDAB O=C(NCCn1nc(-c2ccncc2)ccc1=O)c1cccs1 11744573 OTYIXSBGQNOVNU-UHFFFAOYSA-N 326.381 1.797 0 40 EDAB CN(CC(=O)N1CCS[C@@H](c2ccco2)CC1)S(C)(=O)=O 219404182 CDVZLOKOSQOKJV-GFCCVEGCSA-N 332.447 1.178 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)[C@H](C)Oc2ccccc2)C1 225807188 DGRWONIKZWDDAF-DZGCQCFKSA-N 343.383 1.932 0 40 EDAB O=C(COC(=O)c1cc(C2CC2)[nH]n1)Nc1ccc2c(c1)OCCO2 40066890 LEQIQASJUVKHDW-UHFFFAOYSA-N 343.339 1.854 0 40 EDAB C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(C(F)(F)F)cc1 30477591 LRTKDRXFBPCULR-SECBINFHSA-N 341.289 1.433 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CCCc2ccccc2)CC1 40107456 HLWSAWXWBXGRQP-MRXNPFEDSA-N 343.471 1.821 0 40 EDAB NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 51173248 YCUFFMZOLUULKN-MRVPVSSYSA-N 337.854 1.047 0 40 EDAB CCCOc1ccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)cc1Cl 51617492 KXYCQTFHDZGEQR-CYBMUJFWSA-N 341.795 1.847 0 40 EDAB COC[C@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 32674231 WXMAXWQEWWDWBU-SMDDNHRTSA-N 344.408 1.130 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)C1 41128470 AXKBIZNCVPFLJX-FMBMQGQPSA-N 336.775 1.458 0 40 EDAB CNC(=O)Cn1cc(NC(=O)CN2CCCc3cc(F)ccc32)cn1 52614341 WSYXNHFNFBTTSL-UHFFFAOYSA-N 345.378 1.160 0 40 EDAB O=C(NCc1ccccc1Cn1cncn1)C(=O)Nc1ccccc1 41523866 PSKUGBKKAXGGFB-UHFFFAOYSA-N 335.367 1.581 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)Cc1ccccc1Br 78651970 DPEBNHUPZMUHCS-JTQLQIEISA-N 348.262 1.883 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN(CC[S@@](=O)c3ccccc3)C2)no1 78891185 LEKYAKPRBHSNLB-OWJWWREXSA-N 348.472 1.692 0 40 EDAB Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCC(=O)N(C)C1 78840516 DHYOWZKGANJMBC-LBPRGKRZSA-N 333.413 1.991 0 40 EDAB NS(=O)(=O)C[C@@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 78912743 YQFAJELTEHPXBK-GFCCVEGCSA-N 330.837 1.410 0 40 EDAB O=C(CCCn1nnc2ccccc2c1=O)NCCc1ccccn1 79492919 RYPSYPIZWARQEN-UHFFFAOYSA-N 337.383 1.326 0 40 EDAB C[C@H]1CN(Cc2noc(C3CC3)n2)CCN1Cc1noc(C2CC2)n1 53608435 DBVWPAJEKAAGRR-NSHDSACASA-N 344.419 1.914 0 40 EDAB CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc2c(c1)OCO2 4279674 QCYFMHFFTPGYOH-OLZOCXBDSA-N 348.384 1.637 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3ccc(F)cc3)C2)C1 108530963 JOGIDYKSFCRBRE-UHFFFAOYSA-N 326.393 1.370 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](C)N2CCCC2)c1 42507613 RHFBIQBVIKSQRI-CYBMUJFWSA-N 339.461 1.117 0 40 EDAB CS(=O)(=O)N[C@H]1CCOC2(CCN(Cc3cccnc3)CC2)C1 108527977 URFOBTOMRFCLKW-HNNXBMFYSA-N 339.461 1.144 0 40 EDAB Cc1cc2ccccc2n1CC(=O)N1CCC(N2CCNC2=O)CC1 54595042 HPWRUJCWDOMOTJ-UHFFFAOYSA-N 340.427 1.966 0 40 EDAB CCS(=O)(=O)N1CCC(NCc2c[nH]nc2-c2cccnc2)CC1 42921742 FQHIOGADLUASTQ-UHFFFAOYSA-N 349.460 1.375 0 40 EDAB C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)[C@H]1COCCO1 106910782 FEXQMEYPSBKBQR-FRRDWIJNSA-N 328.409 1.258 0 40 EDAB CCCNC(=O)CN1CCN(Cc2cc(C)c(C(=O)OC)o2)CC1 25926224 BAFLYRNJQZTHOV-UHFFFAOYSA-N 337.420 1.018 0 40 EDAB Cc1cc(C)n2c(SCC(=O)NC(=O)NC(C)(C)C)nnc2n1 3288231 VGOMWUPUZWZVEZ-UHFFFAOYSA-N 336.421 1.458 0 40 EDAB COc1cc(/C=C/C(=O)OCC(=O)NC(C)C)cc(OC)c1OC 3250009 ARNCBQXNZBOVDB-VOTSOKGWSA-N 337.372 1.793 0 40 EDAB CCCn1c(=O)c2ccccc2n(CC(=O)N2CCCC[C@@H]2C)c1=O 57477489 ARYIKHKVKYSYEJ-AWEZNQCLSA-N 343.427 1.974 0 40 EDAB COC(=O)c1ccccc1Nc1c(N2CCSCC2)c(=O)c1=O 108452367 JOESXIYJHXPTPM-UHFFFAOYSA-N 332.381 1.366 0 40 EDAB CCN1CCN(c2ccc(Nc3ccc4nnnn4n3)c(C)c2)CC1 57856258 FADIBMPGIWVVFR-UHFFFAOYSA-N 338.419 1.713 0 40 EDAB C[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCOCC1)n1cncn1 44576561 LZLIBISCANVLTC-STQMWFEESA-N 335.433 1.090 0 40 EDAB CCCNC(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 44643474 YNVXBPXUAVPTEG-VIFPVBQESA-N 347.820 1.898 0 40 EDAB COC(=O)[C@@H](CNC(=O)Nc1nncs1)Cc1ccc(F)cc1 58017157 FJRKYHIDHMNXEG-SNVBAGLBSA-N 338.364 1.831 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)CNc1ccc(F)c(C(F)(F)F)c1 58185969 AGTGAZFKXTUPDB-UHFFFAOYSA-N 347.312 1.993 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 48290914 XVKUUWDJBOFRHQ-OAGGEKHMSA-N 336.436 1.641 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCC2)c(Cl)c1 58185347 ASDHHLPDYRQYBY-LLVKDONJSA-N 330.837 1.938 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 44890120 RZADHAFAXYICSN-CYBMUJFWSA-N 330.363 1.571 0 40 EDAB COc1ccc(OC)c(CN2CCN(Cc3nnc(C)o3)CC2)c1 44871373 GDBNBXGALXAPQF-UHFFFAOYSA-N 332.404 1.713 0 40 EDAB CC[C@@H](O)CN(CC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1 58341360 SIQRFDOVLQMHAB-HZPDHXFCSA-N 333.432 1.049 0 40 EDAB NC(=O)c1cccc2c1CCCN2CCn1nc2ccccn2c1=O 58308600 PIQFSNAHSHOQOE-UHFFFAOYSA-N 337.383 1.048 0 40 EDAB C[C@H](c1ccsc1)N1CCN(C(=O)NCCC(=O)N(C)C)CC1 97378438 CLCXLXBLMRTNRO-CYBMUJFWSA-N 338.477 1.615 0 40 EDAB CCCO[C@@H]1CCCN(C(=O)CN(C)c2ncnc3[nH]cnc23)C1 58404497 WDUPQLIGGRRAQS-GFCCVEGCSA-N 332.408 1.207 0 40 EDAB Cn1cc([C@]2(C)CN(C(=O)[C@H](C3CC3)N3CCCC3)CCO2)cn1 97376267 PURMMYBUVJJHTI-WMZOPIPTSA-N 332.448 1.369 0 40 EDAB NC(=O)CS(=O)(=O)C(c1ccc(F)cc1)c1ccc(F)cc1 58595442 INMCMOPWEGZBQO-UHFFFAOYSA-N 325.336 1.954 0 40 EDAB O=C(CN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)N1CCCC1 102707015 QXDMPEBCPUEROQ-LUKYLMHMSA-N 332.444 1.829 0 40 EDAB CC(C)N1C[C@@H](C(=O)NCc2ccc(Cn3cncn3)cc2)CC1=O 46196432 ILWOWCZJNYZHEE-INIZCTEOSA-N 341.415 1.200 0 40 EDAB Cc1ccc(CNC(=O)c2snc(C(=O)N3CCCC3)c2N)o1 62006786 MLVXQERWWAMFAB-UHFFFAOYSA-N 334.401 1.793 0 40 EDAB CN(C)S(=O)(=O)c1cc(C(=O)NC2(C)Cc3ccccc3C2)co1 92613403 RBDCXXSREYHIHM-UHFFFAOYSA-N 348.424 1.817 0 40 EDAB CCCCOc1ccccc1[C@@H]1C(C(N)=O)=C(C)N=C2N=CNN21 4071531 UBJWSEJMPPTJCR-OAHLLOKOSA-N 327.388 1.884 0 40 EDAB Cc1ccc(Cl)cc1N1CCN(CN2C(=O)CN(C)C2=O)CC1 49622753 YEBCYIJIBHZNBV-UHFFFAOYSA-N 336.823 1.622 0 40 EDAB COC(=O)c1ccc(Cn2c(S(C)(=O)=O)nc3ccccc32)o1 21577428 GSQPNXXFLQGNAR-UHFFFAOYSA-N 334.353 1.868 0 40 EDAB CC(C)NC(=O)c1cccc(NC(=O)c2nccnc2C(=O)O)c1 71288278 KSKGGPWBBSAGMH-UHFFFAOYSA-N 328.328 1.565 0 40 EDAB O=C(COC(=O)C[C@H]1CCS(=O)(=O)C1)Nc1cccc(Cl)c1 4392845 GEBUPNRITAMCRL-SNVBAGLBSA-N 345.804 1.647 0 40 EDAB Cc1ccc(CNC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cn1 65417417 UNBWBXGOIYTUTE-CQSZACIVSA-N 340.449 1.003 0 40 EDAB CNc1ccccc1C(=O)OCC(=O)Nc1sccc1C(N)=O 6363875 CNQIEUBITWJDSA-UHFFFAOYSA-N 333.369 1.684 0 40 EDAB O=C1C[C@H](N(C(=O)Cc2ccc(C(F)(F)F)cc2)C2CC2)C(=O)N1 65623060 QVNPSIXMQWJEAZ-LBPRGKRZSA-N 340.301 1.654 0 40 EDAB COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(N)=O 4574722 UGSARBMIXHPRCB-JYRVWZFOSA-N 340.335 1.680 0 40 EDAB CCCCc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1 19831211 QJNZHMQMBOGBGK-UHFFFAOYSA-N 347.459 1.806 0 40 EDAB Cc1cnc2c(C(=O)NCC[C@H]3COc4ccccc4O3)cnn2c1 65372028 CMXURBVFLCIONL-ZDUSSCGKSA-N 338.367 1.998 0 40 EDAB CC(C)n1ccc(CN2CCO[C@H](CN(C)c3cccnn3)C2)n1 84633231 UCMNSFNVSHZRPB-MRXNPFEDSA-N 330.436 1.591 0 40 EDAB COC[C@@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)C1CC1 93927311 MKMRMZJKVNWYIR-SNVBAGLBSA-N 329.809 1.920 0 40 EDAB O=S(=O)(c1cc(F)cc(F)c1)N1CCN(C2CCOCC2)CC1 80826124 CFFNNQQGCFIGOB-UHFFFAOYSA-N 346.399 1.450 0 40 EDAB Cc1cc(NC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)n(C)n1 70040468 DWCOBBSKIFKJMZ-MRXNPFEDSA-N 343.431 1.612 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@@H]1c1ccccc1Cl 69352209 VDSUYZAAETXOEA-TZMCWYRMSA-N 342.848 1.043 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccn2)cc1 17167974 MIRSWUIGIMITTL-UHFFFAOYSA-N 333.413 1.698 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)c2cccc(-n3cccc3)c2)[nH]1 69538783 DFBOGSOCJRQLSV-UHFFFAOYSA-N 331.357 1.251 0 40 EDAB O=C(C[C@H]1C=CCC1)Nc1ncn(CC(=O)N2CCCCCC2)n1 69593532 YTAMMKOOGDIRMG-AWEZNQCLSA-N 331.420 1.976 0 40 EDAB CCN1CCN(c2ccccc2NC(=O)NCC(=O)OC(C)C)CC1 69665498 DFAVMGZCXSTYDM-UHFFFAOYSA-N 348.447 1.902 0 40 EDAB CCc1nc(CN2CCC[C@@H](NCc3nnc(C4CC4)n3C)C2)no1 69742674 WOFUNWUOMSLNPD-CYBMUJFWSA-N 345.451 1.392 0 40 EDAB COCCN(CCOC)C(=O)CN1CCCc2sccc2C1=O 69739284 ISQUFODJXXSGNP-UHFFFAOYSA-N 340.445 1.258 0 40 EDAB c1ccc(-n2nnc3c(N[C@@H]4CCc5ncnn5C4)ncnc32)cc1 69708579 TXPHFYQYJMKKJP-LLVKDONJSA-N 333.359 1.229 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 69774050 IGKMDDIVKPSPGS-JYJNAYRXSA-N 342.480 1.122 0 40 EDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCCc1cccs1 69920006 DRCVBXYNWXNXMN-CQSZACIVSA-N 333.461 1.411 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 71865839 QNIKRECETPEIHS-HOCLYGCPSA-N 330.432 1.584 0 40 EDAB COCCCC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 71858680 YEQZAVSQZODXMF-CQSZACIVSA-N 340.445 1.383 0 40 EDAB CC[C@@H]1CN(CC(=O)N(C)Cc2ccc(C)o2)CCN1C[C@@H](C)O 71877556 FCWUPCAUZNQUCL-GDBMZVCRSA-N 337.464 1.323 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 71817356 MDJLWLCOEODPQF-OAHLLOKOSA-N 339.505 1.465 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc2nn[nH]c2c1 95434474 VFTMCEOMOQIWIL-NSHDSACASA-N 326.364 1.768 0 40 EDAB Cc1ccc(CC2CCN(C(=O)Cn3ncn(C)c3=O)CC2)cc1 97085018 MRWLELWKFRDFDF-UHFFFAOYSA-N 328.416 1.372 0 40 EDAB COCc1ccccc1CNC(=O)C[S@](=O)c1ccc(C)cn1 97016095 UYFCKIBTTWOPIZ-HSZRJFAPSA-N 332.425 1.960 0 40 EDAB O=C(NCc1ccn(C2CCCC2)n1)NC[C@H]1CC(=O)N(C2CC2)C1 97058420 UMKQWPDGOLIGBG-CYBMUJFWSA-N 345.447 1.808 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2csc(C)n2)C1 84281300 ZGLMWMANXAUPMK-AWEZNQCLSA-N 335.433 1.766 0 40 EDAB Cc1cccc(-n2ncc(C(=O)N3CCc4nnc(N)cc4C3)n2)c1 84213273 PGLCACJNYBTODI-UHFFFAOYSA-N 335.371 1.146 0 40 EDAB CC(=O)CCc1ccc(OC[C@@H](O)CN2C(=O)C[C@H](C)C2=O)cc1 72312484 PDSDCSUJYDUZAO-WFASDCNBSA-N 333.384 1.343 0 40 EDAB C[S@](=O)c1ncn(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)n1 95974842 ZMDKNRAWUASWGR-RKFFSXRUSA-N 333.335 1.638 0 40 EDAB CCc1oc(C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1C 89280247 HCYGQWIOFYHKJA-CYBMUJFWSA-N 342.461 1.341 0 40 EDAB CCS(=O)(=O)C[C@H](C)NC(=O)NCCc1cc2ccccc2[nH]1 89272336 PAMNPJUDXRGMSQ-LBPRGKRZSA-N 337.445 1.833 0 40 EDAB Cc1c(N[C@@H]2CCN(C3CC3)C2=O)c(=O)n(-c2ccccc2)n1C 89499655 ZIWYHWRQMTYUET-OAHLLOKOSA-N 326.400 1.660 0 40 EDAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)NC[C@@H]1CCS(=O)(=O)C1 89621539 YUWSKWVCJYPMGW-QWHCGFSZSA-N 342.465 1.032 0 40 EDAB CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cnn(C)c2)C12CCCC2 76019898 DZTCNQWXLFLHDA-KBPBESRZSA-N 327.450 1.778 0 40 EDAB O=C(Cc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2)cc1 67896882 STVKLHBUFFHJIY-VQIMIIECSA-N 340.379 1.416 0 40 EDAB biogenic,in-vitro COC(=O)c1cn(NC(=O)[C@@H]2CCOC(C)(C)C2)cc2c(O)nnc1-2 524734899 UMTHKANKWTVURY-SECBINFHSA-N 348.359 1.150 0 40 EDAB NC(=O)CN1CCO[C@@H](COc2cccc(Br)c2)C1 217497723 NDOVEIUEQNNUCD-GFCCVEGCSA-N 329.194 1.014 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)CCO1 185616293 QPZQPQUDLRDULN-RRQGHBQHSA-N 345.443 1.857 0 40 EDAB CCOC[C@@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218197177 PYCMUXXXFWUWNF-FRRDWIJNSA-N 348.262 1.694 0 40 EDAB COc1ccc(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1 30672726 VKSOJFNRMCILMI-UHFFFAOYSA-N 339.351 1.015 0 40 EDAB COc1cc([C@@H]2CC(=O)Nc3c2cnn3C)c(OC)c2c1OCO2 66091716 LSHNOCPQPBVPAW-QMMMGPOBSA-N 331.328 1.640 0 40 EDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@H](C)C(=O)O)CC1)CC2=O 72328078 LRKYFZDNGAIXMR-ADLMAVQZSA-N 347.367 1.885 0 40 EDAB Cc1sc(=O)n(CCC(=O)NC[C@@](C)(O)c2ccccc2)c1C 77615049 BJPIJBLIYGDKGQ-QGZVFWFLSA-N 334.441 1.941 0 40 EDAB CC(=O)Nc1nc(CSc2nnnn2C2CCOCC2)cs1 78556944 DAPAXPUCCSBBHB-UHFFFAOYSA-N 340.434 1.732 0 40 EDAB C[C@]1(C(=O)NCCCn2ccnc2)Oc2ccc(Cl)cc2NC1=O 41550195 DGSGMVXKOGJYFR-MRXNPFEDSA-N 348.790 1.833 0 40 EDAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)NCc1ccccn1 40288255 HHHHPOHDUNJCMK-UHFFFAOYSA-N 338.342 1.761 0 40 EDAB Cc1noc([C@@H](C)NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)n1 81618637 ZQRYCWJAHPDWTB-MRVPVSSYSA-N 347.766 1.562 0 40 EDAB Cc1ccc(C(=O)N2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cc1 85436099 RMDBQCUZSCSRJP-QGZVFWFLSA-N 343.427 1.736 0 40 EDAB biogenic,in-vitro CCCCOc1ccc(C(=O)Cn2nnc3c(cnn3C)c2=O)cc1 225442933 FQNHEHQOMVNLKF-UHFFFAOYSA-N 341.371 1.587 0 40 EDAB CO[C@H](C)CS(=O)(=O)Nc1cccc(-n2cc(C)[nH]c2=O)c1 225750254 SBDDRJKTBMMPRZ-LLVKDONJSA-N 325.390 1.251 0 40 EDAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1 45957876 WCIWMCVEYNMONM-OAHLLOKOSA-N 332.400 1.435 0 40 EDAB C[C@H]1COCCN1CCN(C)[C@H]1CCN(Cc2ccccc2)C1=O 225628932 NGNDWUSRGRRUGW-WMZOPIPTSA-N 331.460 1.440 0 40 EDAB O=C(N[C@@H]1CCNC1)c1cnn(-c2ccc(Br)cc2)n1 1580744065 HLCZALFYDQHLER-SNVBAGLBSA-N 336.193 1.122 0 40 EDAB CN1C(=O)c2ccc(F)cc2O[C@H]2CN(Cc3nccs3)C[C@H]21 514288726 ZFTOXIPCIFRDEW-OCCSQVGLSA-N 333.388 2.000 0 40 EDAB biogenic,in-vitro CCn1cc([C@H]2CN(C(=O)NC[C@H](C)Cn3cccn3)CCO2)cn1 191500632 OPEIOZMCGRHQJQ-GOEBONIOSA-N 346.435 1.519 0 40 EDAB CC(=O)Nc1ccc(NC(=O)C[C@H]2Cn3nc(C)nc3NC2=O)cc1 40386799 BMUKDCTXOLIERQ-NSHDSACASA-N 342.359 1.142 0 40 EDAB CCc1oncc1C(=O)N1CC2(CCN([C@@H]3CCCN(C)C3=O)C2)C1 1073024313 HWTDRHBXTUOEQD-CQSZACIVSA-N 346.431 1.006 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@H](C)C(C)(C)C)CC1 87133637 YUSQJGPWUQEQBY-HUUCEWRRSA-N 338.496 1.759 0 40 EDAB CN1C[C@@H](N(C)S(=O)(=O)c2cnc3ccsc3c2)CCC1=O 583650979 CLGJZSSUQICJBP-JTQLQIEISA-N 339.442 1.538 0 40 EDAB O=S(=O)(NCc1nc(C(F)F)no1)c1cccc2c1OCC2 583651242 HUERRGOCQNGMAK-UHFFFAOYSA-N 331.300 1.421 0 40 EDAB CCc1cc(CNC(=O)CN2CCN(c3ccccn3)CC2)on1 96437407 CINBYJXIGQWLQC-UHFFFAOYSA-N 329.404 1.070 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)S1 96443736 NACVFOJZVZODMX-LLVKDONJSA-N 329.429 1.812 0 40 EDAB C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)CC(=O)NCC(F)(F)F 97235742 MLBKDTDIZDBVID-ZWNOBZJWSA-N 344.333 1.906 0 40 EDAB CCS(=O)(=O)[C@](Cl)(I)C(=O)C1CC1 96518300 ZLJAOZDJWJZZHN-SSDOTTSWSA-N 336.578 1.728 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 96426814 NYPYEPQKYGWNFT-SNVBAGLBSA-N 332.326 1.673 0 40 EDAB CC(C)(C)n1cc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1 96489571 ZLOQXOUABBWIQM-MRXNPFEDSA-N 334.464 1.709 0 40 EDAB CCC[C@H]1CN(C(=O)c2n[nH]c(O)n2)CCN1Cc1ccccc1 96493796 YEVQEGWBBKOKLA-AWEZNQCLSA-N 329.404 1.637 0 40 EDAB O=C(Cc1ccccn1)N1CCc2ncnc(N3CCCC3)c2CC1 96255453 YMFAHTOYQYLIIK-UHFFFAOYSA-N 337.427 1.642 0 40 EDAB Cc1noc([C@H]2COC[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]32)n1 96040738 ZACDMYGVSGTRHX-MCIONIFRSA-N 333.413 1.871 0 40 EDAB O=C(NC[C@H](O)c1ccccc1F)c1cc(-n2cccn2)ccn1 96445852 ABRHSTUSUIZWSE-INIZCTEOSA-N 326.331 1.870 0 40 EDAB CC(C)[C@@H](NCC(=O)N1C[C@H](C)O[C@H](C)C1)c1nc(C2CC2)no1 96493153 BCQLRLXTZIVRMV-TYNCELHUSA-N 336.436 1.870 0 40 EDAB O=S(=O)(CC1CCOCC1)N1CCN(Cc2cccs2)CC1 96427629 UERDJECLLICYIT-UHFFFAOYSA-N 344.502 1.622 0 40 EDAB C[C@@H](CNC(=O)c1cc(N2CCOCC2)ccn1)Cn1cccn1 97104176 OCENROZRFZZWQR-AWEZNQCLSA-N 329.404 1.181 0 40 EDAB Cc1ccnc([C@@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)n1 257223281 DWQMWLPYJYHHIO-INIZCTEOSA-N 343.383 1.822 0 40 EDAB O=C(NC1(CO)CCSCC1)c1csc(Br)n1 585120949 ZNSRUOJXJSRKOH-UHFFFAOYSA-N 337.264 1.894 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)Cn3cc(Cl)cn3)CCO2)n1 257261661 LIIAAGCYHCVEJR-CQSZACIVSA-N 349.822 1.598 0 40 EDAB CN(C(=O)CCc1ccnn1C)[C@@H]1CCCN(c2ccccn2)C1 257295995 RATZJNZYTREOSK-MRXNPFEDSA-N 327.432 1.875 0 40 EDAB NC(=O)c1cnn2c([C@@H]3CCCN(Cc4cncs4)C3)ccnc12 257248943 JFXHZSQQFZTRTE-LLVKDONJSA-N 342.428 1.664 0 40 EDAB Cc1ccccc1S(=O)(=O)N1CCO[C@H](CCc2ccncn2)C1 257340030 ZEFHVKCRDQQHGF-MRXNPFEDSA-N 347.440 1.807 0 40 EDAB Cc1ccc(CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1 257224737 FDCTYDYTZNNLHO-IRXDYDNUSA-N 338.473 1.356 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 257310717 UGFSCFHNIVTZFV-ZDUSSCGKSA-N 335.385 1.253 0 40 EDAB COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2nccn2C)cc1 257330862 XQILICGKCHVYCI-KRWDZBQOSA-N 328.416 1.834 0 40 EDAB Cc1cc2cc(C(=O)N3CC[C@](O)(CN4CCOCC4)C3)ccc2o1 257207838 BJNZUIAMDHZCIR-IBGZPJMESA-N 344.411 1.650 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)c1ccnnc1 257289091 PWXZIJFBUDURQQ-OAHLLOKOSA-N 340.387 1.188 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257222516 DTOWJRHBDWTWII-INIZCTEOSA-N 345.374 1.724 0 40 EDAB O=C(C1CC1)N1CC2(CN(Cc3ccccc3)C[C@@H]3COCCN32)C1 604380999 ANNKODXKGZVYIR-GOSISDBHSA-N 341.455 1.194 0 40 EDAB biogenic,in-vitro CN(c1cc(C(=O)NC[C@H]2CCCO2)ccc1Cl)S(C)(=O)=O 260830697 QEXGAIFKGLBCCU-LLVKDONJSA-N 346.836 1.645 0 40 EDAB Cc1nnsc1C(=O)NC[C@@H]1CCO[C@H]1c1c(C)nn(C)c1C 1615589502 CYPWQMQRUPHRFQ-WCQYABFASA-N 335.433 1.704 0 40 EDAB Cc1ccc([S@@](C)(=O)=NC(=O)[C@@H]2CCc3nnn(C)c3C2)cc1 1616038894 XDLAPVSXFJSVIF-SFDCACGMSA-N 332.429 1.912 0 40 EDAB CO[C@H](CS(=O)(=O)N=[S@](C)(=O)c1ccccc1)[C@H]1CCOC1 1616035333 XNAAGGHQALSTPP-DEOKDLAOSA-N 347.458 1.525 0 40 EDAB CCc1nc([C@@H](C)NC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)cs1 292353465 QWVQYHCFQFLDMJ-GHMZBOCLSA-N 345.490 1.843 0 40 EDAB CC(C)(C)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCO1 390833191 DHJWFPRZWNCDNR-GHMZBOCLSA-N 336.354 1.671 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cnc2n1CCCC2 562747283 ZIHPDNPPSZBHJX-RYUDHWBXSA-N 330.388 1.333 0 40 EDAB CC(C)CC(=O)N1Cc2ccnn2[C@H](C(=O)NC2CC(F)(F)C2)C1 575406886 XADXMQWUJJTUQC-ZDUSSCGKSA-N 340.374 1.726 0 40 EDAB Cc1ccc(C)c(OCC(=O)NCCn2cnc(C3CC3)cc2=O)c1 575603843 LSADZJIURCYWOP-UHFFFAOYSA-N 341.411 1.933 0 40 EDAB OC1(CNC[C@]2(O)CCN(c3ccnc4cccnc34)C2)CCCC1 585284514 SUCQWFGJMLVJLB-LJQANCHMSA-N 342.443 1.466 0 40 EDAB CNc1ncc(CNC[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cn1 585287289 WXWGHKNAVKRDJL-KBRIMQKVSA-N 346.406 1.966 0 40 EDAB Cc1ccc(OCC(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)cc1 585098147 UXGZJSZZPYLHRY-MRXNPFEDSA-N 342.443 1.933 0 40 EDAB Cc1cccc(C(=O)N2Cc3cncn3[C@@H](C(=O)NC(C)C)C2)c1 585095976 WERGJALALJSYEI-MRXNPFEDSA-N 326.400 1.913 0 40 EDAB CC(=O)N1C[C@H](CC(=O)NCC2(c3ccccc3)CCC2)[C@@H](O)C1 585281399 XAGKRTBLHJLKNR-RDJZCZTQSA-N 330.428 1.454 0 40 EDAB Brc1cnc(N2CCC[C@H](CN3CCOCC3)C2)nc1 69797804 LJTFGOZZSNPSRR-GFCCVEGCSA-N 341.253 1.788 0 40 EDAB C[C@H]1C[S@](=O)CCN1C(=O)CCc1nc(-c2ccsc2)no1 71916602 WGOQVPQBMIIWCT-MGUXCZDKSA-N 339.442 1.710 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](CF)C2)cc1C(N)=O 882604011 UBMRNPIYVCCHPS-JTQLQIEISA-N 330.381 1.164 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccnc(N(C)C)c1 48231649 UZPTVTIHJAOLMM-SJCJKPOMSA-N 327.384 1.992 0 40 EDAB C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(=O)[nH]n1 55634498 BEKUZBHRZAZKSZ-SECBINFHSA-N 341.289 1.986 0 40 EDAB CN(C(=O)c1ccnc(Cl)c1)[C@H]1CCN(CC(F)(F)F)C1=O 79002102 ILKXAIJGVRXPGD-VIFPVBQESA-N 335.713 1.970 0 40 EDAB CC(C)CN1[C@@H]2CN(Cc3nccs3)C[C@@H]2OCCS1(=O)=O 1534645935 WBLFCWDWOFARFH-OLZOCXBDSA-N 345.490 1.014 0 40 EDAB COCCNC(=O)[C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595538 DPIJNGAZBQHWIZ-RYRKJORJSA-N 348.418 1.980 0 40 EDAB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(Cl)c(N)c1 5655926 GEQAXVLIGMZVIE-UHFFFAOYSA-N 335.747 1.374 0 40 EDAB O=C1[C@H]2[C@H](CN[C@]23C(=O)Nc2ccccc23)C(=O)N1Cc1ccccc1 11851489 JDMJJGKWPZNOCL-OWZDWXTDSA-N 347.374 1.239 0 40 EDAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(N)=O)C1=O 12241927 RGAMJGHHYYPURH-LBPRGKRZSA-N 328.324 1.500 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 13114370 GRONKVZAUHQTIG-WDMOLILDSA-N 346.305 1.813 0 40 EDAB Cc1nnc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)s1 15356311 RDBYZZZNDYXJOE-UHFFFAOYSA-N 340.430 1.560 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)Cn2nc(C)cc2C)cc1 16839677 PUZBFEDOLJHADT-OAHLLOKOSA-N 337.445 1.490 0 40 EDAB Cc1sc2nc(C)n3c(=O)n(CC(=O)NC(C)(C)C)nc3c2c1C 19561686 MJTMOGNUSMNVMZ-UHFFFAOYSA-N 347.444 1.946 0 40 EDAB COCC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 19602639 QOFLDCGCUNYILK-UHFFFAOYSA-N 325.796 1.069 0 40 EDAB COc1ccccc1C(=O)N1CCC[C@@]1(C(N)=O)c1cnccn1 607854745 SLFCCDKJIGPNCT-KRWDZBQOSA-N 326.356 1.102 0 40 EDAB COC(=O)Cn1cc(COc2ccc(F)c3c2C(=O)C[C@H]3C)nn1 578723910 POJWUGVXDTYRCK-SECBINFHSA-N 333.319 1.859 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CCC(NS(C)(=O)=O)CC3)cc2c1C 10415419 YRGABKBFRNUEKX-UHFFFAOYSA-N 349.456 1.939 0 40 EDAB CCc1ncnc(N2C[C@@H]3CN(Cc4noc(C)n4)C[C@H]3C2)c1F 1888856816 IUHPQKQIYAIMRW-RYUDHWBXSA-N 332.383 1.438 0 40 EDAB NS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1 23717997 SZRBPRHWUIZDJY-UHFFFAOYSA-N 336.392 1.195 0 40 EDAB CC1CCN([C@H]2CSC3(C2)CN(C(=O)c2cn(C)cn2)C3)CC1 2056223554 RORDECIRTVXCSU-CQSZACIVSA-N 334.489 1.852 0 40 EDAB C[C@@H]1CN(c2ncnc3c2ncn3C)CCN1Cc1ccncc1F 2086967259 YPCMBVWXINDGMA-GFCCVEGCSA-N 341.394 1.608 0 40 EDAB O=C(CCF)N1CCC2(CC1)CN(C(=O)c1ccsc1)CCO2 1565553543 CNDSVLGNPLHSIS-UHFFFAOYSA-N 340.420 1.941 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)NCc1ccc(F)cc1 256834 VOQHHUHDTRLHDN-UHFFFAOYSA-N 326.331 1.637 0 40 EDAB COc1ccc(OCC(=O)NCc2n[nH]c(=O)c3ccccc23)cc1 5313282 UGGHEHDNZHNBNQ-UHFFFAOYSA-N 339.351 1.627 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)no1 10332673 IXNKQNOSMVSGIO-ZDUSSCGKSA-N 334.351 1.480 0 40 EDAB O=C(N[C@@H]1CCc2onc(CN3CCCC3)c2C1)c1cnccn1 2055738780 QAANLEXEFWYUIB-GFCCVEGCSA-N 327.388 1.348 0 40 EDAB CCOCCCNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713692 ZIPDVXRNGDFGPK-AWEZNQCLSA-N 348.447 1.224 0 40 EDAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)COc1ccc(C(C)C)cc1 225632207 LVTMDLQLLNDPAH-HOTGVXAUSA-N 335.400 1.978 0 40 EDAB COc1cccc(C(=O)N2CC[C@H](Oc3cnccn3)C2)c1OC 225792515 LRAXFKHEIJHMJV-LBPRGKRZSA-N 329.356 1.787 0 40 EDAB COc1nn(C)cc1C(=O)NCCOc1cccc2cccnc12 44455801 ZIWYJFWOHLHLME-UHFFFAOYSA-N 326.356 1.786 0 40 EDAB NC(=O)N1CCC(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 40490010 TVXHMFPIEXSAFB-UHFFFAOYSA-N 327.388 1.279 0 40 EDAB COc1ccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c(OC)c1OC 100794967 YJQUNMLPMGWNLY-SNVBAGLBSA-N 347.367 1.905 0 40 EDAB biogenic NC(=O)CC1CCN(CC(=O)N2CCC[C@H]2c2cccs2)CC1 40540747 XSTWQPDHNGUNLY-AWEZNQCLSA-N 335.473 1.999 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 40554177 XTBBBCOHDWOZCN-LSDHHAIUSA-N 338.429 1.378 0 40 EDAB O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCCCNC1=O 40521657 CIFDXQAMCNORDZ-ZDUSSCGKSA-N 328.372 1.454 0 40 EDAB O=C(NC[C@H](O)CN1CCc2ccccc2C1)Nc1cccnc1 40505466 RZDDSWSBODPJSR-KRWDZBQOSA-N 326.400 1.622 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN(C)c2ccc(C)cc2C)C1=O 52450226 IHRVGIMYNAULJL-QGZVFWFLSA-N 332.404 1.491 0 40 EDAB Cc1csc(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)n1 32836167 JSGILWINJSNBMP-UHFFFAOYSA-N 343.412 1.759 0 40 EDAB CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 479574 XSSZVJBSWWJCDI-INIZCTEOSA-N 348.424 1.808 0 40 EDAB NC(=O)c1cc(NC(=O)c2cccc(-n3cnnn3)c2)ccc1F 33063761 AXQIAJQYKRATKB-UHFFFAOYSA-N 326.291 1.153 0 40 EDAB CO[C@@H](C)C(=O)N1CCN(Cc2ccc(Br)cn2)CC1 69809170 BDKZTAZEBPZBOZ-NSHDSACASA-N 342.237 1.523 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1 69814494 OZYPXONHBIQIFI-UHFFFAOYSA-N 346.836 1.259 0 40 EDAB CCC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 22230631 AWHDOZGWNQFGHR-UHFFFAOYSA-N 330.388 1.799 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCO[C@H](c3nc(C)n[nH]3)C2)s1 78888703 QCZLWNBVPBRPPF-LBPRGKRZSA-N 349.416 1.024 0 40 EDAB O=C(CCc1nc(-c2cccnc2)no1)N1CCO[C@H]2CCC[C@@H]21 53384747 KFBRMDRKAIRZTR-KBPBESRZSA-N 328.372 1.844 0 40 EDAB OCCN(CCO)c1ccc(-n2cnc3c(=S)[nH]cnc32)cc1 2022014 GBNSPGNYIFLHSW-UHFFFAOYSA-N 331.401 1.269 0 40 EDAB COCc1ccccc1NC(=O)N1CCN(C(C)(C)C(N)=O)CC1 79025504 ROLRJVWITDQHJT-UHFFFAOYSA-N 334.420 1.246 0 40 EDAB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 4505269 QFTQALOXEABIKP-CYBMUJFWSA-N 349.449 1.660 0 40 EDAB COc1ccc2c3c1O[C@H]1[C@@]34CCN(C)[C@@H](C2)[C@H]4C[C@@H](O)[C@@]1(C)O 4972554 FDQOEXDFLWOOAL-LJAFWFKGSA-N 331.412 1.086 0 40 EDAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ncccc1O 23139969 CDAFCAIYWHSWJY-UHFFFAOYSA-N 326.400 1.544 0 40 EDAB Nc1nccnc1C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 23102828 ORLPRVYNCGBVJP-UHFFFAOYSA-N 331.420 1.314 0 40 EDAB CC1(C)[C@@H]2CC=C(CN3C[C@]45C=C[C@@H](O4)[C@H](C(=O)O)[C@@H]5C3=O)[C@@H]1C2 100781670 KFWIQRFOCDYDRG-GUAQRYROSA-N 329.396 1.845 0 40 EDAB O[C@@H](CNCc1cccc2c1OCO2)CN1CCc2ccccc2C1 47702069 BRMJNVCCQBJDGZ-SFHVURJKSA-N 340.423 1.924 0 40 EDAB O=C1CN(C(=O)CCCc2ccc(Br)s2)CCN1 23420772 RZGMVCSROBWZMQ-UHFFFAOYSA-N 331.235 1.792 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NN3CCCCC3)CC2=O)c(OC)c1 8395296 NVQKVURCOOHIGC-ZDUSSCGKSA-N 347.415 1.574 0 40 EDAB NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 69897930 FUGBRRNSSAORFT-GFCCVEGCSA-N 344.864 1.800 0 40 EDAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccc(F)c(Cl)c1 24592390 HDILBIHNOLVMHI-UHFFFAOYSA-N 339.798 1.972 0 40 EDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCc1cccs1 103023485 HSMWKFJOVXWDQK-OKILXGFUSA-N 334.441 1.972 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 25045584 BCXUGRRIKYGGKQ-MRXNPFEDSA-N 326.400 1.427 0 40 EDAB O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCNCC1 34781463 JYLUVSVPHPSYCG-UHFFFAOYSA-N 328.743 1.953 0 40 EDAB in-vitro COC(=O)c1ccc(CN2CCN(C(=O)N3CCOCC3)CC2)cc1 25354372 FFFSHXGGASHCER-UHFFFAOYSA-N 347.415 1.043 0 40 EDAB Cc1cc(C)n2ncc(C(=O)NC[C@H](C)N3C[C@@H](C)O[C@H](C)C3)c2n1 43843680 CDVRKMVSLTVRNI-RRFJBIMHSA-N 345.447 1.574 0 40 EDAB COCCN(Cc1ccccn1)C(=O)c1ccnc(-n2cncn2)c1 57249118 GYQRIEWRJUHOCX-UHFFFAOYSA-N 338.371 1.346 0 40 EDAB C[C@H]1COCCN1[C@H](C)CNC(=O)N1CCCN(CC(F)F)CC1 108366637 LVCUAVXPFXCWJM-KGLIPLIRSA-N 348.438 1.078 0 40 EDAB CCCNC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 57776389 KWAAGJXNVJJLIS-UHFFFAOYSA-N 339.461 1.797 0 40 EDAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCCO1 27883309 OZWJGMXWKNRFGH-SKDRFNHKSA-N 333.356 1.980 0 40 EDAB COc1ccc2c(c1)CCCN2S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 48290967 IAUITXGOADBOJI-BETUJISGSA-N 340.445 1.802 0 40 EDAB O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102183662 NYHRDAWQJHASMR-YFKTTZPYSA-N 325.267 1.881 0 40 EDAB O=c1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)[nH]c(=O)[nH]1 44933942 WEVACXZTXOPIBI-LLVKDONJSA-N 326.356 1.584 0 40 EDAB CN(C)C(=O)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58379563 QQNHODPGXUZJOS-OAHLLOKOSA-N 335.423 1.632 0 40 EDAB CS(=O)(=O)c1ccc([C@H](O)Cn2cnc3ccccc3c2=O)cc1 58356307 CDSJKJWXBMAEBO-MRXNPFEDSA-N 344.392 1.534 0 40 EDAB Cc1c(C(=O)N[C@H](C)c2cccnc2)cnn1[C@H]1CCS(=O)(=O)C1 58405973 QQQANKHSFXJCIX-RISCZKNCSA-N 348.428 1.437 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)Nc3cc(F)cc(F)c3)cnc21 10668581 MONSYYZOZJLQNH-UHFFFAOYSA-N 333.298 1.437 0 40 EDAB O=C(c1cnccn1)N1CCN(C(=O)c2ccccc2Cl)CC1 45290542 GPIYVTVQPKSOPS-UHFFFAOYSA-N 330.775 1.728 0 40 EDAB CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O[C@@H]2O)cc1 26579301 NCBVUSNBLYMFPP-KRWDZBQOSA-N 330.361 1.876 0 40 EDAB in-vitro COc1ccc(S(=O)(=O)N(C)Cc2ccncc2)cc1C(N)=O 48332655 VLXGEMDRKZDQCX-UHFFFAOYSA-N 335.385 1.010 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NOCc1ccccc1)C2=O 36727595 QMAHFPNXYULLGR-ACJLOTCBSA-N 345.399 1.735 0 40 EDAB O=C(CN1CCc2ccccc21)Nc1ccc(N2CCOCC2)cn1 48317435 SUOXZSJNKUNFNO-UHFFFAOYSA-N 338.411 1.919 0 40 EDAB COc1ccc(CCC(=O)NCC/N=C(\O)c2ncccc2O)cc1 69924542 GZNUULMXGWOLON-UHFFFAOYSA-N 343.383 1.849 0 40 EDAB NC(=O)CCN(Cc1ccccc1)C(=O)c1cn(-c2ccccc2)nn1 46176688 WAVGMCHORUMUQK-UHFFFAOYSA-N 349.394 1.785 0 40 EDAB COc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cc1OC(F)F 29720767 KYCPMDHNDOIMII-QMMMGPOBSA-N 329.303 1.649 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)NC(=O)NCc1ccccc1 2620050 PJDRECZCSZHRCH-UHFFFAOYSA-N 336.355 1.366 0 40 EDAB COC(=O)CCNC(=O)CNC(=O)Cc1coc2cc(C)c(C)cc12 72427713 LXPHADCEIRAQAG-UHFFFAOYSA-N 346.383 1.388 0 40 EDAB CC[C@@H](C(=O)N1CCN(Cc2cccc(O)c2)CC1)N1CCCC1=O 175869820 ZXVAJCUXLVDKDL-KRWDZBQOSA-N 345.443 1.437 0 40 EDAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)n1 13734425 KDDKIXBDRGKRCK-UHFFFAOYSA-N 325.372 1.736 0 40 EDAB CC(C)CCOC(=O)CNC(=O)c1c(Br)nn(C)c1N 65494831 RIIGYTYDEIBZQX-UHFFFAOYSA-N 347.213 1.084 0 40 EDAB Cc1cc(C)n2nc(C)c(C(=O)N(CC(N)=O)C3CCCC3)c2n1 65477740 DUEWYQZXEGENIA-UHFFFAOYSA-N 329.404 1.525 0 40 EDAB CCCS(=O)(=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 72369452 JYXQRCLPUKGCAB-KRWDZBQOSA-N 338.473 1.221 0 40 EDAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 20111061 XXNPTKMCUXJALW-HNNXBMFYSA-N 339.461 1.163 0 40 EDAB CN1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1c1ccccc1)C2=O 14159079 WWQFYTQJMQTDMR-INIZCTEOSA-N 342.443 1.797 0 40 EDAB COCCN1C(=O)C(=O)N(CN2CC=C(c3ccccc3)CC2)C1=O 14160765 IHCYONGWTLKUTH-UHFFFAOYSA-N 343.383 1.170 0 40 EDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1cccc(O)c1 14232647 VHBUPGFSFKAZSO-UHFFFAOYSA-N 345.380 1.460 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N(CCO)Cc1ccccc1 9184386 RUVHZUJBVONOSM-UHFFFAOYSA-N 337.379 1.487 0 40 EDAB COc1nc(C)ccc1CNC(=O)C(=O)Nc1cc(F)ccc1F 66221591 WZOSGDXMINAFEG-UHFFFAOYSA-N 335.310 1.932 0 40 EDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@H](c2ccccc2F)C1 66690223 WHYSQVIRVFSOIE-WBMJQRKESA-N 332.375 1.737 0 40 EDAB O=C(COC(=O)/C=C/c1ccco1)NC[C@H]1COc2ccccc2O1 4960796 QKSNFAXQOTVHDO-NPQIQWPPSA-N 343.335 1.792 0 40 EDAB Cc1nc(N2CCC[C@H](CS(N)(=O)=O)C2)nc(C)c1CC(C)C 80228406 YBZHEQWTUXPZGW-AWEZNQCLSA-N 340.493 1.797 0 40 EDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccco2)cc1 408601069 DZSDDGOMBJJDNV-NSHDSACASA-N 338.385 1.271 0 40 EDAB O=S(=O)(NCCc1ncn[nH]1)c1ccc(F)cc1Br 80623789 VRSHIWOTJGPNDO-UHFFFAOYSA-N 349.185 1.227 0 40 EDAB CCOc1ncccc1CNC(=O)NC1CCN(C(=O)C(C)C)CC1 26379904 XNSUQMAWKVWXCV-UHFFFAOYSA-N 348.447 1.927 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1CC(=O)NC 68543843 DGAQDUHMGFSFDW-NEPJUHHUSA-N 334.420 1.400 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 16455989 GZIRFVWEJUHZLG-OAHLLOKOSA-N 332.339 1.189 0 40 EDAB Cc1cc(CNc2cc([C@@H]3CCN3S(C)(=O)=O)nc(C)n2)on1 72387099 VLYCJHCPFWWTLK-ZDUSSCGKSA-N 337.405 1.400 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1 8075353 FJWWAVQHNYOLEG-UHFFFAOYSA-N 333.775 1.790 0 40 EDAB Cc1cc(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)c(C)o1 70037739 AKRPOSSCPHHVRI-UHFFFAOYSA-N 327.384 1.958 0 40 EDAB O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCCC1=CCCCC1 69371968 LZXGXQIADUWFHD-QGZVFWFLSA-N 332.448 1.591 0 40 EDAB CN(Cc1ccsc1)C(=O)Cn1c(-c2ncccn2)noc1=O 69485660 BCJICWWOZUPVHZ-UHFFFAOYSA-N 331.357 1.013 0 40 EDAB CN(Cc1cccs1)C(=O)CN1CCN(Cc2nccn2C)CC1 69455813 LGTUIRIEMIBQOD-UHFFFAOYSA-N 347.488 1.258 0 40 EDAB O=C(CNC(=O)NCCc1c(F)cccc1F)Nc1cccnc1 69569081 BRHFSVWTYCMCLL-UHFFFAOYSA-N 334.326 1.840 0 40 EDAB CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cn2)cc1 69674810 BMOJOKQAGPHRCR-UHFFFAOYSA-N 340.426 1.984 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCN(C[C@H](O)Cn3cccn3)CC2)n1 69630461 OXCXONKWCBMCKP-CABCVRRESA-N 348.451 1.129 0 40 EDAB CN1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)CC1 69600015 CVGNANSLKFEKIM-UHFFFAOYSA-N 339.395 1.757 0 40 EDAB C[C@@H](C(=O)NCc1cnn(C)c1)N1CCN(c2ccc(F)cc2)CC1 69709719 GZOVNKWZOKRHTF-AWEZNQCLSA-N 345.422 1.386 0 40 EDAB CC(=O)N1CCN(C(=O)CN[C@H](c2ccccc2)C2CCC2)CC1 69741743 MWXWSEMYRORXAK-LJQANCHMSA-N 329.444 1.808 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)N(C)c1nccs1 69703998 SNSZPOBAZYWECE-ZIAGYGMSSA-N 336.461 1.581 0 40 EDAB Cc1cc(C[S@](=O)Cc2cccc(S(=O)(=O)N(C)C)c2)no1 71846908 CNJMQFGIHYQHMG-NRFANRHFSA-N 342.442 1.682 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCC[C@H](N3CCNC3=O)C2)n1 71841682 JHXHKIPTSIVGEQ-LBPRGKRZSA-N 335.408 1.142 0 40 EDAB NC(=O)COc1ccc(CNC[C@@H]2CCCN2c2cccnn2)cc1 71859936 MXZJLYMSPWCJHM-HNNXBMFYSA-N 341.415 1.099 0 40 EDAB CC[C@H](Sc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCOCC1 71894107 SFBOYVWJPXUARC-ZFWWWQNUSA-N 336.457 1.921 0 40 EDAB C[C@H](CNS(=O)(=O)/C=C/c1ccccc1)CN1CCN(C)CC1 71817353 VKAGKQHPCHBOFN-WDBUWWRISA-N 337.489 1.460 0 40 EDAB CCc1nc(C)ncc1C(=O)N1C[C@H](CC)[C@@H](N2CCOCC2)C1 83817543 UKYBDJGTWBGBSH-YOEHRIQHSA-N 332.448 1.530 0 40 EDAB CCCCn1nnnc1CNC(=O)c1nc(OCC)ccc1Cl 71910452 RDIPUTMUQCRNRN-UHFFFAOYSA-N 338.799 1.850 0 40 EDAB CC(=O)N1CCN(Cc2cc(Br)c3c(c2)OCO3)CC1 71928183 NCTDQQLGOXDXOJ-UHFFFAOYSA-N 341.205 1.842 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)C[C@H]1N1CCOCC1 84735725 FMTKGROFFORLIU-VDHUWJSZSA-N 329.444 1.754 0 40 EDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@H](c2ccn[nH]2)C1 72282833 IXXZBXZAQWWXHB-LSDHHAIUSA-N 340.431 1.822 0 40 EDAB CCc1ccc([C@H]2CCCN2S(=O)(=O)N2CCOC[C@@H]2C)o1 72298308 ASVDIMRGUWEACA-GXTWGEPZSA-N 328.434 1.944 0 40 EDAB COc1c([C@@H]2CCCN2[C@@H](C)C(=O)Nc2ncccn2)c(C)nn1C 72253711 YRNPMXFESNFWEW-STQMWFEESA-N 344.419 1.691 0 40 EDAB CC(=O)c1c(F)cccc1NCCC(=O)N1CCN(C(C)=O)CC1 72271476 HYZGEECTGXMMIU-UHFFFAOYSA-N 335.379 1.521 0 40 EDAB C[S@](=O)CCNC(=O)NCc1cc(Br)ccc1F 72286967 GTSFZMNPAIYSQU-GOSISDBHSA-N 337.214 1.766 0 40 EDAB C[C@H]1CN(Cc2csc(-c3cnn(C)c3)n2)CCN1C[C@@H](C)O 72279666 IADAZJYIFDWMFB-QWHCGFSZSA-N 335.477 1.431 0 40 EDAB CO[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2C)C1 84290797 KXYREZSFHVOFDV-CABCVRRESA-N 342.465 1.012 0 40 EDAB O=C(COCc1ccccc1)N[C@H](Cc1ccc(O)cc1)C(=O)O 113547831 MJQRXIJMUFIOOQ-MRXNPFEDSA-N 329.352 1.721 0 40 EDAB COCCOc1ccc(CNS(=O)(=O)[C@H]2CCO[C@@H]2C)cc1 97163919 JNANHTRYKGCOSS-DOMZBBRYSA-N 329.418 1.309 0 40 EDAB Cc1cc(C)n(CC(=O)N(C[C@H]2CN(C)CCO2)c2nccs2)n1 95402106 IGANUNMPALGNEX-CQSZACIVSA-N 349.460 1.320 0 40 EDAB COC(=O)CN1CCCN(CC(=O)Nc2ccc(C)c(C)c2)CC1 72311977 NULOZXXYCWPIRK-UHFFFAOYSA-N 333.432 1.423 0 40 EDAB Cc1c(C(=O)NC[C@H](C)O)sc2nc3n(c(=O)c12)CCCCC3 98075838 AVYXDFFNKALXEH-VIFPVBQESA-N 335.429 1.603 0 40 EDAB C[C@H](Sc1nnc(Cn2cncn2)o1)C(=O)NC1CCCCC1 98079274 BAPBVKTWAVYVQB-JTQLQIEISA-N 336.421 1.639 0 40 EDAB COC[C@](C)(NC(=O)/C=C/c1c(Cl)nc2ccccn12)C(=O)O 95989789 SHCLWTKQDFHCPH-LFAOLKIESA-N 337.763 1.607 0 40 EDAB CCc1ncnc(NCc2cccc(CS(=O)(=O)NC)c2)c1F 95981543 JBDJAEINKNBLAP-UHFFFAOYSA-N 338.408 1.839 0 40 EDAB CCNC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCc3ccc(F)cc32)C1 95966427 MEIMNWVMJQOFKD-HIFRSBDPSA-N 334.395 1.916 0 40 EDAB CC(C)n1cc(S(=O)(=O)N2CCC(CCN(C)C)CC2)cn1 95939427 BNIUXZKVCGDAKU-UHFFFAOYSA-N 328.482 1.816 0 40 EDAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(Cc2ccncc2)CC1 85777238 AECSDOFVNZRCRM-UHFFFAOYSA-N 342.443 1.476 0 40 EDAB C[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NC(=O)Nc1ccccc1 9954459 NGCMOQJWGPUXES-SECBINFHSA-N 347.400 1.735 0 40 EDAB COC[C@@](C)(CCO)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 75107858 ROUILOXHOSBEIX-GOSISDBHSA-N 349.431 1.832 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)c2ccc(-n3cncn3)nc2)C12CCC2 89985890 VRYQZEVFGKDFKP-KGLIPLIRSA-N 327.388 1.740 0 40 EDAB COC(=O)C[C@H]1Cc2c(O)nc(NCc3ccccc3)nc2NC1=O 1548338315 HNVJYGGNLDYDDP-LLVKDONJSA-N 342.355 1.468 0 40 EDAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C)c2)cc1 408553214 PCDDBGRPMRIPEI-UHFFFAOYSA-N 341.367 1.697 0 40 EDAB O=C(CCn1cnnn1)N1CCC(c2nc3ccccc3[nH]2)CC1 524732944 DSHRAKWCWWKLCQ-UHFFFAOYSA-N 325.376 1.346 0 40 EDAB O=C(NC1(C(=O)O)Cc2ccccc2C1)c1nnc(O)c2ccccc12 532592576 FXMHGWJSXYNFBM-UHFFFAOYSA-N 349.346 1.687 0 40 EDAB Cc1cc(NC(=O)Cc2csc(NC(=O)c3ncccn3)n2)no1 61969163 DJEYJCPMAKSPBF-UHFFFAOYSA-N 344.356 1.663 0 40 EDAB O=C(COCc1nc(-c2ccccc2)no1)NCCCn1cccn1 72241461 ZJZWTHGDPXTBDU-UHFFFAOYSA-N 341.371 1.656 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@@]1(COC)C(N)=S 218580648 VMVORXNUJKQNGT-OUCADQQQSA-N 331.434 1.645 0 40 EDAB O=C(NCCN1CCOCC1)[C@@H]1CCCN(Cc2ccccc2)C1 30944305 WWTDAERENFNGEN-GOSISDBHSA-N 331.460 1.347 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)N2CCc3ccccc32)[C@@H]1c1cnn(C)c1 79359165 WTYMUBUTYGTWSD-QAPCUYQASA-N 338.411 1.919 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(C)cc2)[C@@]1(COC)C(N)=S 218460591 LHLJZUMOTPNPIH-KCQAQPDRSA-N 327.471 1.814 0 40 EDAB CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O 77263924 UHZATJXCFWFCOD-NFAWXSAZSA-N 326.462 1.518 0 40 EDAB biogenic,in-vitro Cc1[nH]ccc(=O)c1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 40287598 FVMVCSALFBPGPT-UHFFFAOYSA-N 345.374 1.550 0 40 EDAB Cc1noc(C)c1C[C@H](C)NC(=O)c1cc(N2CCOCC2)ccn1 131187629 MKMIWPWESALMJV-LBPRGKRZSA-N 344.415 1.884 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 223302255 KJKCBAQOZPDCNE-UHFFFAOYSA-N 334.397 1.954 0 40 EDAB O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)c1cscn1 225656701 AVLAMIAYOLSPKA-UHFFFAOYSA-N 347.368 1.130 0 40 EDAB Cc1cc(Cl)ccc1-n1c(=O)[nH]c(C(=O)O)c(CN(C)C)c1=O 222666995 ZOSILEWLVYWSGO-UHFFFAOYSA-N 337.763 1.247 0 40 EDAB O=C(CN1C[C@H](O)C[C@@H]1c1ccccc1)NCC(=O)c1cccs1 570024517 DLUNJTKWCOYHPC-HUUCEWRRSA-N 344.436 1.855 0 40 EDAB CC[C@@](O)(C(=O)N[C@@H](C)CS(=O)(=O)CC)c1cccc(Cl)c1 225734449 YBVJUZCIOUAYEU-NHYWBVRUSA-N 347.864 1.877 0 40 EDAB CC1CCN(CC(=O)NS(=O)(=O)Cc2ccc(F)cc2F)CC1 195570948 FEOVRYOPBDKQCW-UHFFFAOYSA-N 346.399 1.643 0 40 EDAB O=S1(=O)CCN(C2CCN(C/C=C/c3ccccc3)CC2)CC1 195579094 ATEFRBDGNPIGGK-QPJJXVBHSA-N 334.485 1.895 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2cccc(C3(C(=O)O)CC3)c2)C[C@H](C)O1 96515625 OBGOOBXVPNNYNW-RYUDHWBXSA-N 339.413 1.601 0 40 EDAB COCCNC(=O)C[C@@H]1OC[C@H]2CN(Cc3cccc(C)c3)CC[C@@H]12 96206177 BWFFMPKLWBESHB-QRVBRYPASA-N 346.471 1.985 0 40 EDAB CS(=O)(=O)NCCCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 96404797 BKYHFNFPBOJALP-SJORKVTESA-N 346.452 1.999 0 40 EDAB Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)cn1 96058265 BZRUUOHTWGHRHK-IXDOHACOSA-N 332.448 1.270 0 40 EDAB CN1CCN(c2ncnc3c2CCN(Cc2ccsc2)CC3)CC1 96255671 AAVKPDNIIKIEMF-UHFFFAOYSA-N 343.500 1.891 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC[C@H](S(C)(=O)=O)CC1)N1CCCCC1 332310648 KGBWLEQEVPOEJD-HOTGVXAUSA-N 344.521 1.923 0 40 EDAB Cc1noc([C@H]2CCC3(CCN(C(=O)c4ccncn4)CC3)O2)n1 96109963 KIWDKEWQFNDFQH-CYBMUJFWSA-N 329.360 1.695 0 40 EDAB COc1cc(N2CCC3(CCCCN3S(C)(=O)=O)CC2)ncn1 96217560 HCISZJNEGHWIIX-UHFFFAOYSA-N 340.449 1.270 0 40 EDAB COc1ccc(CN2CCOC[C@]3(C[C@H](CN(C)C)CO3)C2)cc1 96051942 OUECYEPEFWWLKF-MJGOQNOKSA-N 334.460 1.864 0 40 EDAB O=C(c1ccc[nH]1)N1CC[C@@H]2O[C@H](COCCN3CCCC3)CC[C@@H]21 96064626 NJXFLEHGXVMNTE-SZMVWBNQSA-N 347.459 1.889 0 40 EDAB Cn1cccc1C(=O)N[C@@H]1CN(Cc2ccco2)[C@@H]2CCCO[C@H]12 96056330 RJVJSWCLQGGPAX-BFYDXBDKSA-N 329.400 1.780 0 40 EDAB O=C(CN1CCC[C@@H]1[C@H]1COCC[C@H]1O)NCc1ccc(F)cc1 583614671 BOLIOOBOFVGFGH-BRWVUGGUSA-N 336.407 1.304 0 40 EDAB CN(C[C@H]1CCCCN(C)C1=O)CC(C)(C)CN1CCOCC1 583651989 XQUKBGGONVNRMF-MRXNPFEDSA-N 325.497 1.535 0 40 EDAB CN1C(=O)CC(C)(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 96183083 XEIXJMQZQIQJCK-UHFFFAOYSA-N 338.429 1.352 0 40 EDAB Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N[C@]3(C)CCOC3)cc12 579833327 UTPSDGPQOJUJRX-OAHLLOKOSA-N 339.369 1.897 0 40 EDAB Cc1nc(C(=O)N[C@@H]2CC[C@H](C(F)(F)F)N(C)C2)c(=O)[nH]c1C 583619697 KVRLKFXONSZQAU-NXEZZACHSA-N 332.326 1.142 0 40 EDAB Cc1cccc(OC[C@H](O)CN2CCN(c3nc(C)ns3)CC2)c1 96483379 AZKWYBQFULTQII-OAHLLOKOSA-N 348.472 1.717 0 40 EDAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1ccco1)C2 96056948 URLQMFVWMVMKQN-FUHWJXTLSA-N 336.432 1.756 0 40 EDAB CCS(=O)(=O)CC(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 96409315 HTKAJGIWOAZUHY-AWEZNQCLSA-N 342.436 1.654 0 40 EDAB NC(=O)COC(=O)c1cc(F)c(F)cc1I 96473905 UGTHHTJYEQSBFG-UHFFFAOYSA-N 341.051 1.212 0 40 EDAB Cn1c(CSc2nnc(Cn3cncn3)o2)nc2ccccc21 96455681 HHSIFGWZJPSHGL-UHFFFAOYSA-N 327.373 1.888 0 40 EDAB CCc1cnc(N2CCC3(CC2)C[C@@H](NC(=O)N(C)C)CO3)nc1 96220705 SQUFURUJMQSZIP-CQSZACIVSA-N 333.436 1.438 0 40 EDAB CC(C)Nc1ccnc([C@H]2COCCN2S(=O)(=O)C2CC2)n1 96219324 DKQFDSKSFWWHAQ-GFCCVEGCSA-N 326.422 1.162 0 40 EDAB COCC(=O)N1CCC[C@@](CCCc2cnccn2)(C(=O)N(C)C)C1 257320320 VWGGKAHYQJSPMN-GOSISDBHSA-N 348.447 1.143 0 40 EDAB O=C(CCn1cnc2ccccc21)N1CC[C@](O)(CN2CCCC2)C1 257327037 WZPUEVSHHBRBER-IBGZPJMESA-N 342.443 1.486 0 40 EDAB CC(=O)N1CC[C@@H](c2nc(C)cc(-c3cncc(C(=O)O)c3)n2)C1 257267854 MJAWTGWOYRUOGP-GFCCVEGCSA-N 326.356 1.881 0 40 EDAB O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1CN1CCOCC1 24528179 UNNLSJSFVVHGIY-GOSISDBHSA-N 329.400 1.450 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)Cc2nonc2C)C1 257251487 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40 EDAB CC(C)(CNC(=O)c1ccc(S(N)(=O)=O)cc1N)C1CCC1 1615056933 OGUYRTGDSFCHLR-UHFFFAOYSA-N 325.434 1.472 0 40 EDAB COC(=O)[C@@H]1CCc2nnc(-c3ccc4c(c3)OCCO4)n2CC1 601043597 FLBUYDDRDGVTKC-LLVKDONJSA-N 329.356 1.842 0 40 EDAB Cn1cc(CN2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccco2)cn1 585102644 DKMMQFKZSFXVLP-HNNXBMFYSA-N 344.415 1.424 0 40 EDAB O=C(c1cc[nH]n1)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 585108518 ABJLQSZETJOKNM-PMPSAXMXSA-N 328.372 1.394 0 40 EDAB CNC(=O)CC[C@@]1(OC)CCCN(Cc2cnc(N(C)C)nc2)C1 585276246 FDRUZTFDHLIPFM-KRWDZBQOSA-N 335.452 1.050 0 40 EDAB C[C@H]1CCCN(C(=O)c2nc3c(o2)CCN(C(=O)[C@@H]2CCCO2)C3)C1 585112299 OFFASGIFMNLMNQ-WFASDCNBSA-N 347.415 1.610 0 40 EDAB COc1ccc([C@H]2[C@@H](C(=O)O)CCC(=O)N2Cc2ccnn2C)cc1 585139785 IYGLKVNMLWMXTJ-RDJZCZTQSA-N 343.383 1.993 0 40 EDAB Cc1cc(C)cc(OC[C@@]2(O)CN(C3CCOCC3)CC[C@@H]2O)c1 585288117 WPBBXPCCBGIILQ-OALUTQOASA-N 335.444 1.659 0 40 EDAB CC[C@@H](C)NC(=O)CNC(=O)N[C@]1(C(=O)O)CCc2ccccc21 65554175 JDYBQICQZBMBAD-PIGZYNQJSA-N 333.388 1.127 0 40 EDAB CC1(C)CN(C(=O)c2ccc(N3CCOC3=O)cc2)CC2(CNC2)O1 1548579096 PDOPXHCRZAGPEK-UHFFFAOYSA-N 345.399 1.236 0 40 EDAB CC(C)N1N=C(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)CCC1=O 84597437 HYZSWFHERLNHKR-CYBMUJFWSA-N 345.403 1.997 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@](O)(c1cccs1)C1CC1 75155327 BCEUITZKXSIRAL-CQSZACIVSA-N 342.442 1.929 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)NCc1ccc(-c2ccccc2)o1 79837777 RSEADTIGKYUNCL-UHFFFAOYSA-N 348.424 1.293 0 40 EDAB O=C1CCCCCN1CCCNS(=O)(=O)c1ccc(F)cc1 40485752 YRKVRBKSXFUNRA-UHFFFAOYSA-N 328.409 1.897 0 40 EDAB Cc1cc2n(n1)C1(CCN(Cc3ccn(C)n3)CC1)CC(=O)N2C 1772596182 PFEHYLWGCVQQOZ-UHFFFAOYSA-N 328.420 1.283 0 40 EDAB Cc1cc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)ccc1F 5000119 LZRXLYOSICFOMT-UHFFFAOYSA-N 341.342 1.786 0 40 EDAB Cn1c(=O)n(C)c2cc(CN(CCO)Cc3cccs3)ccc21 13997556 UAPISKJNRODSGD-UHFFFAOYSA-N 331.441 1.933 0 40 EDAB Cn1ccnc1[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(F)cc1 14406001 CBGUEZYIXHFZCE-OAHLLOKOSA-N 341.346 1.172 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1 19209300 JINIBJGBOGWVJY-MRXNPFEDSA-N 336.439 1.989 0 40 EDAB Cc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)c(C)n1C[C@@H]1CCCO1 19567491 IZBVKXPGWYFINJ-NMLACTOBSA-N 347.503 1.923 0 40 EDAB O=C(CS(=O)(=O)c1ccc(Br)cc1)N1CCCC1 19822886 FWYUXNMZFWQCJH-UHFFFAOYSA-N 332.219 1.845 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCN(Cc3ccccc3)CC2)c(=O)[nH]1 19937477 BHRZNTQZZGSPKT-UHFFFAOYSA-N 340.427 1.274 0 40 EDAB CCOC(=O)/C(=C/N(C)C)c1nnn(Cc2ccc(OC)cc2)n1 2523022 AXZWOACHSQCIOG-SDNWHVSQSA-N 331.376 1.196 0 40 EDAB Cc1nnsc1C(=O)N1CC[C@H](Oc2cc(C)n(C)c(=O)c2)C1 225697744 ITJPTXHZXSKKOM-NSHDSACASA-N 334.401 1.147 0 40 EDAB O=C(CCn1nnc2ccccc21)N1CCNC[C@@H]1c1ccccc1 618016766 ADPWVSUBFOINKY-GOSISDBHSA-N 335.411 1.995 0 40 EDAB CC(C)c1ncnc(N(C)[C@@H]2CCCN(S(C)(=O)=O)C2)c1F 1888849825 WPKXZUDARKPBHB-LLVKDONJSA-N 330.429 1.599 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)Cc1nnc([C@@H]2CCOC2)o1 1888875608 QJHWNIUJDLSSLR-CYBMUJFWSA-N 331.372 1.977 0 40 EDAB CNCC(=O)N1CC[C@H](c2nc(C)cc(Nc3ncc(C)s3)n2)C1 2037835031 SDHDZGCECMZWKM-LBPRGKRZSA-N 346.460 1.829 0 40 EDAB COc1cnc(C(=O)N2CC3(C[C@H](NC4CCC4)CS3)C2)cn1 2056223731 CTGNLVGVTZRHFO-LBPRGKRZSA-N 334.445 1.327 0 40 EDAB CN1CCO[C@H]2CN(C(=O)c3cc4ccccc4n3C)CC[C@H]2C1 1565553069 IWIXRUHANYQAED-YJBOKZPZSA-N 327.428 1.971 0 40 EDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)Cc4ccc(F)cn4)C[C@H]3O2)no1 1565542551 NGTRTAAUPROQNA-NILFDRSVSA-N 346.362 1.833 0 40 EDAB O=C([C@H]1CCC2(CCN(C(=O)[C@H]3[C@H]4COC[C@H]43)CC2)C1)N1CCCC1 1565548627 GNSHNGZZAJRVIL-NXOAAHMSSA-N 346.471 1.910 0 40 EDAB Cn1c(C(=O)N2C[C@H]3CCN(S(C)(=O)=O)[C@H]3C2)cc2ccccc21 2055772413 GQIFHVOBERILOV-CJNGLKHVSA-N 347.440 1.284 0 40 EDAB O=C(NCCn1nc(C2CC2)ccc1=O)c1cccc(-n2cccn2)c1 575618554 CONQDSCPDTUTNU-UHFFFAOYSA-N 349.394 1.736 0 40 EDAB COC(=O)c1ccc(C(=O)N2CC(n3cc(C4CC4)nn3)C2)cc1 585149133 AEJZSSRBERKBMK-UHFFFAOYSA-N 326.356 1.639 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(N)=O)C1 40441645 YVQUDJUGLPUGDQ-SNVBAGLBSA-N 329.397 1.328 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CCO1 51083511 OETLNDNRYBLZKC-HIFRSBDPSA-N 332.400 1.634 0 40 EDAB COc1ccc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1 31941659 KJKGXCJTNLSGSV-QGZVFWFLSA-N 336.457 1.633 0 40 EDAB C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)c1ccccn1 40553409 ISAXXCGFVFNWAG-QWHCGFSZSA-N 337.383 1.597 0 40 EDAB CC[C@@H](C)N1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1 20572559 BSZGRHWGYKIJHM-CYBMUJFWSA-N 328.416 1.763 0 40 EDAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 101714040 NMYINRCYJSZHED-XQLPTFJDSA-N 345.351 1.846 0 40 EDAB COc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 77516 QXGCNIUKTFZWSI-INIZCTEOSA-N 329.352 1.886 0 40 EDAB COC(=O)c1ccc([C@H]2[C@@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 209140 YRDBVESBSOGABM-IMBTUZDBSA-N 346.379 1.691 0 40 EDAB NC(=O)c1ccccc1NC(=S)NC(=O)COc1ccccc1 513613 BEAGYUBYLHDKFM-UHFFFAOYSA-N 329.381 1.678 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccc(F)cc1 2710080 NESJBIXZSJLMSQ-GFCCVEGCSA-N 330.315 1.690 0 40 EDAB C[C@H](NC(=O)N1CCN(c2ccccc2O)CC1)c1nncn1C 46963715 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Cc1c([C@H](C)NC(=O)CN2C(=O)COc3ccccc32)cnn1C 24999537 QZIDQUBGLFKRNA-NSHDSACASA-N 328.372 1.331 0 40 EDAB O=C(NCCc1ccccc1F)[C@@H](Cc1ccccc1)n1cnnn1 25928179 XAXLONDEVFIBBD-QGZVFWFLSA-N 339.374 1.955 0 40 EDAB O=C(Nc1nc[nH]n1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 26262880 RVNMMCLOTLSCQH-UHFFFAOYSA-N 346.350 1.815 0 40 EDAB COc1ccccc1C1(CNc2ccc3nnnn3n2)CCOCC1 57150097 NXKXSBNXQPCDJV-UHFFFAOYSA-N 340.387 1.688 0 40 EDAB CCOc1ccc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)cc1 12624597 GEQUHOCWEWUITL-UHFFFAOYSA-N 348.424 1.804 0 40 EDAB COc1cccc(-c2nnn(C[C@H](O)COCc3ccco3)n2)c1 48229873 ORNIREXVFDBYGZ-ZDUSSCGKSA-N 330.344 1.519 0 40 EDAB COc1cccc(CN(C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1OC 48261799 LMIDFTSOHPVBSM-LBPRGKRZSA-N 342.417 1.032 0 40 EDAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CC(n2cccn2)C1 57822365 KMPNNUUEWAKXHM-AWEZNQCLSA-N 328.397 1.770 0 40 EDAB O=C(CCn1cncn1)NCc1cn2cc(Br)ccc2n1 58225162 LBRGSTUCPWBRFL-UHFFFAOYSA-N 349.192 1.395 0 40 EDAB Cn1ccc(NC(=O)CCCOc2ccc(S(C)(=O)=O)cc2)n1 58289199 OQFGTAZNURZDBF-UHFFFAOYSA-N 337.401 1.621 0 40 EDAB CCS(=O)(=O)c1ccc(NC(=O)NCCNC(=O)C(C)C)cc1 58268914 LPVHNDOXTWNEJA-UHFFFAOYSA-N 341.433 1.374 0 40 EDAB CN(C)C(=O)CN1CCCN(Cc2cc(-c3ccco3)on2)CC1 44975258 GJDRDKOHRWICIE-UHFFFAOYSA-N 332.404 1.531 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)c1nnc2ccccn12 44948138 SMFUISKNYZLPPR-NWDGAFQWSA-N 336.417 1.198 0 40 EDAB O=C1COc2ccccc2N1CC(=O)N(C[C@H]1CCOC1)C1CC1 44940957 IMMSIXWLGJEOMG-CYBMUJFWSA-N 330.384 1.440 0 40 EDAB COc1cccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)c1OC 44908778 XALSFWZUHBUXQW-UHFFFAOYSA-N 342.351 1.965 0 40 EDAB COc1ccc(CCC(=O)N2CCCN([C@H](C)C(N)=O)CC2)cc1 58344571 QPIWXBAOGQCKHH-CQSZACIVSA-N 333.432 1.036 0 40 EDAB Cc1csc([C@@](O)(CC(=O)NCc2cc[nH]n2)C(F)(F)F)n1 58310915 ZHOLNYQYNOFWPC-NSHDSACASA-N 334.323 1.631 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 10925906 PSAVGLOQQACVBQ-NSHDSACASA-N 339.351 1.931 0 40 EDAB CCCn1nc(C(=O)N2CCN(Cc3ccncc3)CC2)ccc1=O 28692943 GXSXSCUYISTFEH-UHFFFAOYSA-N 341.415 1.006 0 40 EDAB CSCCc1ccc(NC(=O)NC[C@H]2CN(C)CCN2C)cc1 110605280 VQRMIMUBZRGYQD-INIZCTEOSA-N 336.505 1.959 0 40 EDAB C[C@@H](CNC(=O)N[C@H](C)c1nncn1C)N1CCc2sccc2C1 48353955 MBQTXVFLDFWZLK-NWDGAFQWSA-N 348.476 1.684 0 40 EDAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1cc(F)ccc1F 12805270 HFOCTVWPPHEASU-UHFFFAOYSA-N 326.324 1.889 0 40 EDAB CCCn1nc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)ccc1=O 36829617 JEQAQZMNGZZJMU-HNNXBMFYSA-N 340.427 1.910 0 40 EDAB O=S(=O)(CCCN1CCC[C@H](Cn2cncn2)C1)c1ccccc1 69872918 OGICCVSIGJVGEV-INIZCTEOSA-N 348.472 1.854 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C)c1cc(-c2ccccc2)nc2ncnn12 69929357 IFKAJRDWNUNUAR-GFCCVEGCSA-N 345.428 1.661 0 40 EDAB Cc1nnc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cn12 65199045 QOOOLWAFJKDASP-UHFFFAOYSA-N 332.341 1.567 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)CCn2cncn2)Oc2ccccc21 65407642 GRRUUBHYYMIBNT-CQSZACIVSA-N 329.404 1.414 0 40 EDAB CN(CC(=O)N1CCCC1)C(=O)c1cccnc1N1CCCCC1 65538403 NKDBTQSLTQGFIN-UHFFFAOYSA-N 330.432 1.766 0 40 EDAB O=C(CN1CCC[C@@H](C(=O)NCC(F)(F)F)C1)NCc1ccco1 96441624 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EDAB COc1ccc(CCNC(=O)Cn2cnc3ccsc3c2=O)cc1 9314100 UGJKRUKGKPTESS-UHFFFAOYSA-N 343.408 1.826 0 40 EDAB CC(C)(C)n1cc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 71841513 OXYKKDWYQPASPU-ZDUSSCGKSA-N 346.406 1.851 0 40 EDAB COc1cccc(CC(=O)N2CCN([C@H]3C[C@@H](C)OC3=O)CC2)c1 71832817 NCHPDHRDQSPWHG-CJNGLKHVSA-N 332.400 1.086 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2CC(=O)N(C)Cc2cnn(C)c2)n1 70003920 FMYXJWOHAHWNKF-QGZVFWFLSA-N 344.463 1.356 0 40 EDAB C[C@H](Cn1cccn1)NCCS(=O)(=O)c1ccc(Cl)cc1 69348258 DVBZTZSOLGMXAO-GFCCVEGCSA-N 327.837 1.989 0 40 EDAB Cc1nn(C)c(C)c1CN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1cccnc1 69493022 XCTFKOGQSIJURK-PBHICJAKSA-N 342.399 1.996 0 40 EDAB Cc1noc([C@@H](C)N2CCN([C@@H](C)C(=O)NCC(F)(F)F)CC2)n1 69437148 CAOZONBYJAFSCH-VHSXEESVSA-N 349.357 1.124 0 40 EDAB CCCNC(=O)[C@H](C)SCc1ccc(S(=O)(=O)N(C)C)o1 69490906 NFZCAAWVGBMLJJ-JTQLQIEISA-N 334.463 1.678 0 40 EDAB CC(C)NC(=O)CN(CCO)Cc1cc(Br)ccc1F 69518064 HMUKVLRQQDMANV-UHFFFAOYSA-N 347.228 1.907 0 40 EDAB Cc1ccc([C@H]2C[C@H]2C(=O)Nc2nnc(S(C)(=O)=O)[nH]2)s1 69518526 WZGXHBCVCRNSPI-JGVFFNPUSA-N 326.403 1.320 0 40 EDAB CCS(=O)(=O)CCNC(=O)NC1CCN(CC2CCCC2)CC1 69690985 MIYCYSMMIXNOCC-UHFFFAOYSA-N 345.509 1.375 0 40 EDAB CCN1CCN(CCNC(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 69655783 BWKMFTRNVRTUPO-UHFFFAOYSA-N 345.422 1.379 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1nc(-c3cccnc3)no1)CC2 69661059 FCCCUVDJNHTOMJ-LBPRGKRZSA-N 325.376 1.390 0 40 EDAB NC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1cc(-n2cccn2)ccn1 84617981 OPJXPWXRQKOYHJ-UONOGXRCSA-N 327.388 1.431 0 40 EDAB CCCC[C@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(N)=O 84742911 BJETUBNYSWMDMM-UWVGGRQHSA-N 333.358 1.537 0 40 EDAB CCCc1noc(CN2CC[C@@H](N(C)Cc3nnc(C4CC4)o3)C2)n1 84759052 CQWDWJSBCNSICV-CYBMUJFWSA-N 346.435 1.989 0 40 EDAB CCc1nn(C)cc1CN1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 97033858 MOLMAUOHYDBXAY-GJZGRUSLSA-N 348.491 1.830 0 40 EDAB Cc1cc(CN2CCN(C(=O)N(C)C)CC2)nc(N2CCCCC2)n1 97084290 UJDXTZXTWOUNQA-UHFFFAOYSA-N 346.479 1.575 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1 97046086 OXVFHYOEYGRIOJ-UHFFFAOYSA-N 339.392 1.415 0 40 EDAB CC(C)S(=O)(=O)[C@@H](C)C(=O)NCC1(N(C)C)CCCCCC1 72272873 KPUOCRQRCZSXID-AWEZNQCLSA-N 332.510 1.969 0 40 EDAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H]1CCc2nccn2C1 97197497 KVUFFSPWERLCJR-ZDUSSCGKSA-N 337.383 1.033 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCc4nccn4C3)CC2=O)cc1 97197843 IKRFDBXPYNCMJL-GJZGRUSLSA-N 338.411 1.676 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCCNC1=O)c1cnn(Cc2ccccc2)c1 95440783 DXOXVOGCIBGKPN-BBRMVZONSA-N 341.415 1.570 0 40 EDAB O=C1NCCN(C[C@H](O)COCc2cccs2)[C@@H]1c1ccccc1 95432169 QRLFYWBNAQIKEQ-DOTOQJQBSA-N 346.452 1.799 0 40 EDAB COc1ccc([C@H](CN2CCN(C)CC2)NC2CCN(C)CC2)cc1 95421499 NSCIKMRAESRMMW-FQEVSTJZSA-N 346.519 1.668 0 40 EDAB C[C@H](CNC(=O)N1CCC(N(C)CCCO)CC1)Cn1cccn1 95961013 GGMRZKPGGPWURC-OAHLLOKOSA-N 337.468 1.007 0 40 EDAB CCC[C@H]1NC(=O)N(CC(=O)NCC2(c3ccccc3)CC2)C1=O 95949419 LLQTXJSLYVTAQA-CQSZACIVSA-N 329.400 1.555 0 40 EDAB CN(C)c1cc(CNC(=O)NCc2nnc3n2CCCCC3)ccn1 89323026 PRGOFBUHLXQXFZ-UHFFFAOYSA-N 343.435 1.465 0 40 EDAB C[C@@H](Cn1cccn1)NCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 75133206 OYSLXMUIXCJKND-FUHWJXTLSA-N 341.459 1.252 0 40 EDAB NC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccccc1 75117504 VIXMWGRUCWVMGO-KRWDZBQOSA-N 347.374 1.998 0 40 EDAB Cc1ncc(CNC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)s1 89730104 XZFTZNKOPWRTBA-OAHLLOKOSA-N 335.433 1.642 0 40 EDAB CC(C)Cc1ccc(C(=O)CCC(=O)N2C[C@H](O)C[C@H]2C(N)=O)cc1 89856506 AFMMJOBGZDMGAT-CVEARBPZSA-N 346.427 1.295 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Br)o2)C[C@@H]1N1CCOCC1 76054446 BHBQLRAZWIXVOE-QWRGUYRKSA-N 343.221 1.835 0 40 EDAB Cn1cc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3CC2CC2)cn1 306132201 LBODDSVSFYPIDF-IAGOWNOFSA-N 325.416 1.513 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(C)C)cc1Cl 408588115 CKGJGLBWFNQBLM-SNVBAGLBSA-N 348.852 1.930 0 40 EDAB CC(C)c1noc(CCNC(=O)N[C@@H]2CCOC23CCOCC3)n1 1548453365 KSSLWRLBKRSAPX-GFCCVEGCSA-N 338.408 1.373 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 65404030 CSYXEOZTMLQBTP-ZDUSSCGKSA-N 332.400 1.724 0 40 EDAB CCN1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 23247109 PQPTYOJEYNCKGC-UHFFFAOYSA-N 329.400 1.227 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 548023238 ZEKAAIIMCLKCKU-CXAGYDPISA-N 348.491 1.710 0 40 EDAB C[C@H](O)CN(C)C1CCN(C(=O)c2ccc3c(c2)nc(O)n3C)CC1 548704698 WHGMMQYWYNZBLK-LBPRGKRZSA-N 346.431 1.196 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1 33658269 YAVNMXPPYHQGAH-UHFFFAOYSA-N 336.369 1.360 0 40 EDAB CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38728972 GDCHVMGNQXZJST-GJZGRUSLSA-N 330.384 1.024 0 40 EDAB Cn1ncc(C(=O)NCCS(=O)(=O)C(C)(C)C)c1-n1cccc1 79051836 TTYRGBCMKDFTCK-UHFFFAOYSA-N 338.433 1.154 0 40 EDAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC 217467908 HOBMRWOYYKERKT-LLVKDONJSA-N 344.433 1.910 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 79309597 LBHIDDJZFVPNNP-PZSREKOKSA-N 341.415 1.520 0 40 EDAB CN(C)c1ncccc1CNC(=O)CS(=O)(=O)C1CCCC1 77169157 ZMZIGQNUEFGBDG-UHFFFAOYSA-N 325.434 1.121 0 40 EDAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)NC[C@@H]1CCCO1 38756845 NWAUESOOBKQGRE-NEPJUHHUSA-N 349.456 1.454 0 40 EDAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccon1 70640174 XTOANEUQPXLHSX-JTQLQIEISA-N 343.261 1.482 0 40 EDAB C[C@@H](CO)NC(=O)CC1(N2Cc3ccccc3C2=O)CCSCC1 1565524855 QYILWIBYDLNXIK-ZDUSSCGKSA-N 348.468 1.795 0 40 EDAB CCn1cc(C(=O)N2CCC[C@@H](c3ccnc4ncnn34)C2)cn1 72334864 SOJBLHRCOJVEMF-GFCCVEGCSA-N 325.376 1.361 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCN(Cc2ccon2)CC1 187697609 MDADRRWTNQUUKD-CQSZACIVSA-N 349.456 1.957 0 40 EDAB C[C@@H](c1ccsc1)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1 183835916 ACLVLYCJXBHZKV-LBPRGKRZSA-N 340.474 1.549 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](c2cnc(Nc3nccs3)cn2)C1 72361981 HGNSJMITUZTJPA-SNVBAGLBSA-N 339.446 1.816 0 40 EDAB O=C1C[C@@H](NS(=O)(=O)c2ccco2)[C@H](c2cccnc2)N1C1CC1 564593284 IFXRVZJQCJEGEY-CJNGLKHVSA-N 347.396 1.458 0 40 EDAB CCc1cc(=O)n(CCNC(=O)Nc2ccc(OC)cc2OC)cn1 75166377 VHWYCZWTGNZPKI-UHFFFAOYSA-N 346.387 1.645 0 40 EDAB C[C@@](O)(CNS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)OCO2 75155462 SNPLMVPSNBYOIS-QGZVFWFLSA-N 349.408 1.742 0 40 EDAB Cc1ccc(NCCCNC(=O)C2(N3CCOCC3)CCCC2)nc1 85383173 YKWIMLJIWUNUNH-UHFFFAOYSA-N 346.475 1.953 0 40 EDAB CCc1n[nH]c(NC(=O)C2CCN(C(=O)[C@H](C)CSC)CC2)n1 225666803 QOBSXWPDCQPRDY-SNVBAGLBSA-N 339.465 1.543 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)O)s1 571835722 LIKAPEHOFJGESS-QWRGUYRKSA-N 333.431 1.523 0 40 EDAB C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1c(F)c(F)cc(F)c1F 225754705 ADZUFGFRACLHID-QTTZVWFDSA-N 343.298 1.061 0 40 EDAB CN(CC(=O)NC1CC1)c1ccccc1S(=O)(=O)C(F)(F)F 45956852 SZDMDWYQSZSPFL-UHFFFAOYSA-N 336.335 1.695 0 40 EDAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2 85877664 OBSNVRNMWUONAQ-CYBMUJFWSA-N 348.358 1.995 0 40 EDAB biogenic Cn1nc2c(cc1=O)C[C@H](NC(=O)c1ccc(F)cc1Cl)CC2 225788698 NUXKLXKYAIWWJD-LLVKDONJSA-N 335.766 1.860 0 40 EDAB Cn1cc(CCCN2CCN(C(=O)c3ccc(O)cc3)CC2)cn1 85785332 KNGODYGAHIBTJP-UHFFFAOYSA-N 328.416 1.516 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)NCc1ccnc(-c2ccco2)c1 225657090 SBQNJHHSWCTAKB-UHFFFAOYSA-N 339.351 1.979 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)cc1 96057697 GNZRECVJBDUGQM-CGTJXYLNSA-N 346.427 1.839 0 40 EDAB O=C(c1cnccn1)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 96245333 CRKBYMJJHYMVIN-HIFRSBDPSA-N 340.358 1.346 0 40 EDAB CC(C)OC(=O)c1cccc(-c2nnn(CCc3cnn(C)c3)n2)c1 96411549 GRDYLVYFNUGFLO-UHFFFAOYSA-N 340.387 1.882 0 40 EDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)NC2CCCC2)Cc2cncn2C1 96260691 WRFRAIJKKSTTDM-CQSZACIVSA-N 345.447 1.493 0 40 EDAB Cc1ccc(CN(C)S(=O)(=O)c2cccc(-c3nnnn3C)c2)o1 96427619 OZGYBKZZQZXDHC-UHFFFAOYSA-N 347.400 1.599 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NCC(=O)N(C)CC(F)(F)F 96428265 JSZXRTKKNXMSFF-UHFFFAOYSA-N 342.314 1.433 0 40 EDAB O=C(NCCc1ccccn1)C(=O)NCCc1c[nH]c2ccccc12 339313429 FAMNKWGMJMRLMF-UHFFFAOYSA-N 336.395 1.581 0 40 EDAB CC(C)Cc1nnc(NC(=O)CCNC(=O)c2ccnn2C)s1 96192355 DWPIGYAUQVSZPA-UHFFFAOYSA-N 336.421 1.229 0 40 EDAB O=C(COC1CCCC1)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 96108206 LXIKOEFYFPVLJI-FUHWJXTLSA-N 348.443 1.898 0 40 EDAB O=C(Cc1cccs1)N1C[C@@H]2COC[C@]2(c2nnc(C3CC3)o2)C1 96208880 WDSIUUKSJQJBNH-SJKOYZFVSA-N 345.424 1.978 0 40 EDAB Cc1ccccc1C(=O)N1C[C@H](OCCN(C)C)[C@H]2OCCC[C@H]21 96187027 WBYOJAMDAKWPHV-SQNIBIBYSA-N 332.444 1.945 0 40 EDAB Cc1nnc2n1C[C@H](N[C@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 97199412 QWLNIUZTOJITNA-BXKDBHETSA-N 334.811 1.567 0 40 EDAB Cc1nc(-c2cnn(C)c2)nc2c1CN(C(=O)c1cccnc1)CC2 96253927 VEMPQFFMWIPACW-UHFFFAOYSA-N 334.383 1.779 0 40 EDAB CC(C)(O)CNC(=O)C(=O)Nc1ccc(Br)cc1F 96413569 WVAJNDVYLCCEOU-UHFFFAOYSA-N 333.157 1.414 0 40 EDAB CN(C)C[C@@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 96420832 CJNOOEHZAOLPJT-ZWKOTPCHSA-N 331.460 1.298 0 40 EDAB COC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)Cc2nccn2C1 96187773 YIPQMVVCDQGAAW-LBPRGKRZSA-N 339.392 1.489 0 40 EDAB O=C(NCCCc1nnc2ccccn12)c1cc(-c2cccnc2)n[nH]1 96118119 QCDAVWNHKYKVEG-UHFFFAOYSA-N 347.382 1.877 0 40 EDAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC(CO)(CO)C1 585128092 RMZKZPGSEUUBRH-ZZXKWVIFSA-N 329.318 1.922 0 40 EDAB CCO[C@@H](C)C(=O)Nc1cc(CCNC(=O)[C@@H](C)OCC)ccn1 585131321 RNXATUPODASOFP-OLZOCXBDSA-N 337.420 1.529 0 40 EDAB Cc1ccc(SCC(=O)Nc2ccn(S(C)(=O)=O)n2)c(C)c1 585126376 XPERINQYZSHFJX-UHFFFAOYSA-N 339.442 2.038 0 40 EDAB Cc1ncsc1C(=O)N(C)C[C@@]1(O)CCCN(c2ccccn2)C1 257295105 QWZLHCGIHLVGSH-KRWDZBQOSA-N 346.456 1.950 0 40 EDAB Cc1ccnc([C@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 257339722 ZCXRMOVNVQFHSI-ZDUSSCGKSA-N 338.367 1.709 0 40 EDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NCc2ccccn2)cn1 257316595 VGFOUWAFBLSGEI-UHFFFAOYSA-N 349.394 1.833 0 40 EDAB CCc1ccc(C(=O)NC[C@]2(O)CCCN(c3ncccn3)C2)cc1 257295032 QWQQKKNPKTWFQA-LJQANCHMSA-N 340.427 1.800 0 40 EDAB CCN1CCN(c2nn(-c3ccc(OC)cc3)nc2C(=O)O)CC1 256048378 SOICLARIBWEMCT-UHFFFAOYSA-N 331.376 1.116 0 40 EDAB CC(C)n1nccc1C(=O)NC[C@]1(O)CCN(c2ccc(F)cn2)C1 257329990 XMHVPLMKJXMOPH-QGZVFWFLSA-N 347.394 1.369 0 40 EDAB O=C(O)c1ccccc1-c1cnc(CNC(=O)C2CCOCC2)nc1 257298211 RKQRKPVUAVTQDV-UHFFFAOYSA-N 341.367 1.885 0 40 EDAB Nc1nccnc1[C@H]1CN(Cc2ccccc2OCC(=O)O)CCO1 257288091 PSTMOPHENULWKZ-CQSZACIVSA-N 344.371 1.096 0 40 EDAB O=C(CN1CCCCCC1=O)NCc1ccnc([C@@H]2CCCOC2)n1 257232053 GJGGUFQUELCVCY-CQSZACIVSA-N 346.431 1.389 0 40 EDAB Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)O)cc1C 262960391 LYQXXRLCFMYSCG-ZMSDIMECSA-N 344.411 1.745 0 40 EDAB O=C(COc1cccc(NC(=O)C2(C(=O)O)CC2)c1)N1CCCC1 262335268 WUFLQHNFKHDLQG-UHFFFAOYSA-N 332.356 1.491 0 40 EDAB CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)c1cnn2c(=O)cc[nH]c12 598693938 JVWFBTSHBVFUNG-LBPRGKRZSA-N 346.387 1.359 0 40 EDAB CCc1nsc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)n1 1615057432 CSDJUQGYAGMOIF-JTQLQIEISA-N 328.438 1.519 0 40 EDAB C[C@H](NCC1(O)CN(C(=O)OC(C)(C)C)C1)C1CCN(C)CC1 1615056375 JVBAGHCPAOQVJZ-ZDUSSCGKSA-N 327.469 1.288 0 40 EDAB COc1cc(CO)ccc1C(=O)N1CC2(CCOCC2)CC[C@@H]1CO 1615547497 IRTWTHZSZADYRL-OAHLLOKOSA-N 349.427 1.581 0 40 EDAB CN1c2ccc(NC(=O)c3cc(C4CC4)on3)cc2N(C)S1(=O)=O 390827905 LURKEOVBUTXBDO-UHFFFAOYSA-N 348.384 1.935 0 40 EDAB COc1ccccc1OCC(=O)N1CC[C@@H](Oc2ncc(F)cn2)C1 390828781 UHHGZKKCJHVYEL-CYBMUJFWSA-N 347.346 1.683 0 40 EDAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NCc1cccc(Cl)c1 575420157 GLZVRYGVUJZLIR-STQMWFEESA-N 346.836 1.341 0 40 EDAB O=C(c1ncccn1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 575414899 PJKOAZBNQXJWPD-AWEZNQCLSA-N 349.387 1.618 0 40 EDAB Cc1cc(OC[C@@]2(O)COCCN(C3CCOCC3)C2)ccc1F 585284164 VLDGWAASUSMFPY-SFHVURJKSA-N 339.407 1.755 0 40 EDAB CNC(=O)C1(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)CCC1 678990411 YSDDLWPOFDIHFW-UHFFFAOYSA-N 340.763 1.658 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 29193978 IDKIBZQRONBVBF-HNNXBMFYSA-N 347.440 1.631 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)/C=C/c1cccc(F)c1 30584098 PMPVSUYDKFAKFF-HVHJFMEUSA-N 340.420 1.769 0 40 EDAB O=C(NC[C@H]1CCN1C1CCOCC1)Nc1ccc2c(n1)CCC2 931672789 FOONUKZUEBGORF-OAHLLOKOSA-N 330.432 1.945 0 40 EDAB CCOC(=O)CNC(=O)CN1CCC(c2nnc(C(C)C)o2)CC1 49377217 LCEMIIHADUGWOI-UHFFFAOYSA-N 338.408 1.052 0 40 EDAB COCC(=O)N1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 53824109 GSYPSIQHBOUDJC-UHFFFAOYSA-N 348.447 1.446 0 40 EDAB O=C(NCCc1cscn1)c1c[nH]c(=O)c(Br)c1 84334999 LVOYDRXFNPUXNL-UHFFFAOYSA-N 328.191 1.566 0 40 EDAB COCCN1CCC[C@H](NC(=O)NCc2nc(C)c(C)s2)C1 96440587 ASLBXKXLSGCMRQ-ZDUSSCGKSA-N 326.466 1.670 0 40 EDAB CCOc1ccccc1S(=O)(=O)NCC1(OCCO)CCCC1 888106897 CRUQDSNFZRWMIU-UHFFFAOYSA-N 343.445 1.685 0 40 EDAB COc1ccc(C(=O)OCC(=O)NC2CC2)cc1Br 5354924 DBFWFBZXOZKBEI-UHFFFAOYSA-N 328.162 1.893 0 40 EDAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccn1 5692886 ZPXQQRUEQMXQLZ-UHFFFAOYSA-N 332.337 1.083 0 40 EDAB NS(=O)(=O)c1cc(C(=O)OCc2nc3ccccc3o2)cs1 18388765 YXXFWZZSAPVAHE-UHFFFAOYSA-N 338.366 1.894 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@]3(CC=CNC3=O)C2)cc1 19557055 OTWAVGXHJPBTJH-MRXNPFEDSA-N 336.413 1.500 0 40 EDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 169295060 GZJXQUIAUKSDDS-DGAVXFQQSA-N 331.324 1.456 0 40 EDAB COc1ccccc1C1(C(=O)N2CC[C@H](N3CCOC3=O)C2)CC1 618257096 QHHFQEWRBOOOCR-ZDUSSCGKSA-N 330.384 1.780 0 40 EDAB CN(CC(=O)NC1=NCCS1)S(=O)(=O)c1ccc(Cl)cc1 2725965 LGTBQJHQIVDQIP-UHFFFAOYSA-N 347.849 1.180 0 40 EDAB O=C([C@H]1CN(c2ncccc2C(F)(F)F)CCO1)N1CCCC1 1889096187 BYNWWCWKMFIKNI-GFCCVEGCSA-N 329.322 1.928 0 40 EDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)NC1CCCCCC1 14217514 OQWYBTXGPMYJKU-UHFFFAOYSA-N 333.432 1.876 0 40 EDAB Cn1cc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)C2)cn1 2037905636 UHLIHJQIHXZBLX-KRWDZBQOSA-N 333.363 1.605 0 40 EDAB CC1CC(C(=O)N2CC[C@]3(C2)C(=O)NC[C@@H]3COc2ccccn2)C1 1565542790 SMGSNFMYSFQXCG-MCPBJLBBSA-N 343.427 1.471 0 40 EDAB O=c1c(=O)n2c(nn1Cc1ccc(F)cc1)N(c1ccccc1)CC2 8848732 CGVAOTQTAUAORE-UHFFFAOYSA-N 338.342 1.744 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2ccc(C)s2)CC1 2055747260 QLHGIBSTICRVQQ-UHFFFAOYSA-N 347.488 1.983 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 2086882958 FZGFKYXWOJEBMR-UHFFFAOYSA-N 345.476 1.907 0 40 EDAB O=C(NCC[C@@H](O)c1cccc(Cl)c1)C(=O)NCc1ccco1 245060699 PWTPWOLCZVSHCO-CQSZACIVSA-N 336.775 1.789 0 40 EDAB COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NC(C)C)CS[C@H]21 2117251 ORQDLNHJWQFIKH-QLJPJBMISA-N 336.413 1.798 0 40 EDAB biogenic CC(=O)Nc1ccc2nc(NC(=O)CN3CCOCC3)sc2c1 20290137 MSWOAPSZEYZHLF-UHFFFAOYSA-N 334.401 1.525 0 40 EDAB O=C1COc2ccc(S(=O)(=O)Nc3ccc4cn[nH]c4c3)cc2N1 24257406 DEMDUTYDSKFTRH-UHFFFAOYSA-N 344.352 1.695 0 40 EDAB CC(C)CN1CCO[C@H](CNS(=O)(=O)N(C)C2CCCCC2)C1 32825835 QXMYLFVSOGMUCR-MRXNPFEDSA-N 347.525 1.442 0 40 EDAB Cc1cccc(-n2ncc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2C)c1 40493841 KKEFSLMNUMBRRO-ZDUSSCGKSA-N 333.413 1.406 0 40 EDAB C[C@H]1CCCCN1C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 40548795 HHXNIECJCIINOM-SWLSCSKDSA-N 338.429 1.615 0 40 EDAB CC(=O)c1csc(NC(=O)C2CCN(c3ncccn3)CC2)n1 40527793 FFCLRWPNIHLGQC-UHFFFAOYSA-N 331.401 1.991 0 40 EDAB CCN1CCC[C@H](NS(=O)(=O)c2cccc(NC(C)=O)c2)C1 40556310 QTVOHYGKZKNBBI-AWEZNQCLSA-N 325.434 1.408 0 40 EDAB COc1ccc2c(ccn2CC(=O)NCCCN2CCOCC2)c1 20734429 IXMIQVXCXBCUKO-UHFFFAOYSA-N 331.416 1.488 0 40 EDAB O=C1OCC[C@@H]1N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 52823008 FCLBOFHIFTYWNI-ZDUSSCGKSA-N 326.755 1.552 0 40 EDAB COc1c([C@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)c(C)nn1C 72253752 TZJPMRFCFHOJED-GFCCVEGCSA-N 349.435 1.204 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)CCNC(=O)c1ccsc1 79070571 OYQZKQPYBUOQDZ-GFCCVEGCSA-N 347.444 1.673 0 40 EDAB CC(C)Cc1nc(NC(=O)CC2(Cn3cnnn3)CCCCC2)n[nH]1 79495806 IZICWWZRMDWIGD-UHFFFAOYSA-N 346.439 1.969 0 40 EDAB C[C@H]1CN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 611382 UMABMXLJKNQLBX-UWVGGRQHSA-N 329.447 1.140 0 40 EDAB O=C(NCCOC(=O)[C@H]1COc2ccccc2O1)c1cccnc1 2675163 VIJRZLOMGHOKAW-OAHLLOKOSA-N 328.324 1.195 0 40 EDAB CCN(CC)CC1OCC2(CO1)COC(CN(CC)CC)OC2 3182245 QWZDMYKHLKVBHH-UHFFFAOYSA-N 330.469 1.402 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC(OCc2ccccc2)CC1 42003519 KCBSXXTUTVNOFO-HNNXBMFYSA-N 337.441 1.629 0 40 EDAB CCOC(=O)c1c(S[C@@H](CC)C(=O)OCC)nc(=O)[nH]c1C 4317563 RSDIHKJTMYDWGN-VIFPVBQESA-N 328.390 1.689 0 40 EDAB COCCCn1nnnc1SCC(=O)Nc1nc(C)c(C)s1 4883433 MTSNYWZYDJRYMT-UHFFFAOYSA-N 342.450 1.514 0 40 EDAB CN(C[C@@H]1CCCO1)C(=O)NCCNC(=O)Cc1ccc(F)cc1 72242377 YNJMSSYEDMJEGU-HNNXBMFYSA-N 337.395 1.305 0 40 EDAB CCc1nnsc1C(=O)NCc1ccnc(N2CCOCC2)c1 25291442 VDRBARHWEGSSIY-UHFFFAOYSA-N 333.417 1.262 0 40 EDAB CC(=O)N1CCN(Cc2nc(N)c3c4c(sc3n2)CCCC4)CC1 12542549 OSUDHLMQNKVCIY-UHFFFAOYSA-N 345.472 1.816 0 40 EDAB Cc1sc2ncn(CC(=O)N3CCO[C@@H]4CCC[C@@H]43)c(=O)c2c1C 56193639 YULYACIHIQEGBF-QWHCGFSZSA-N 347.440 1.855 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)/N=c3/sccn3C)ccc21 25728332 KBSLABAUUHXIPV-FBMGVBCBSA-N 328.397 1.866 0 40 EDAB CN(CCCNC(=O)N[C@@H]1CCOc2ccccc21)S(C)(=O)=O 47867483 UMZHGQCDSHBSMC-CYBMUJFWSA-N 341.433 1.091 0 40 EDAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2F)cc1 3235748 AARQKHMEQHSBKU-UHFFFAOYSA-N 334.278 1.859 0 40 EDAB CS(=O)(=O)CCNc1ncnc2c1cnn2-c1ccc(F)cc1 97159672 IUWZFKLUSORIMH-UHFFFAOYSA-N 335.364 1.411 0 40 EDAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 24801113 RECIUMMHRWVRQZ-LBPRGKRZSA-N 338.404 1.803 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)N1 44385255 AQBJULSTCREMNI-AWEZNQCLSA-N 327.384 1.307 0 40 EDAB Cc1noc(CN(CC(N)=O)Cc2ccc(Br)cc2)n1 48272498 FSSHXLPEJQMGSC-UHFFFAOYSA-N 339.193 1.628 0 40 EDAB CN(C)C(=O)C1CCN(Cc2nnnn2Cc2ccccc2)CC1 10053964 BWBMRKWJOJBYLA-UHFFFAOYSA-N 328.420 1.022 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)[C@@H]1Cc2cc(Cl)ccc2O1 44721628 VWGCPNBNWWQDEB-RNCFNFMXSA-N 329.805 1.194 0 40 EDAB CCN(CC)S(=O)(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1 58290742 WYRMWHAAGKJHNX-HNNXBMFYSA-N 339.461 1.467 0 40 EDAB CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C)c(C(N)=O)c1 58245879 FVNQJSMGDZGMPN-GFCCVEGCSA-N 326.418 1.284 0 40 EDAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(F)c1 100639547 NBGFLGQHPIBCHE-LALPHHSUSA-N 340.420 1.897 0 40 EDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc2c1OCCO2 72300571 OIJJZDOCQZTIOV-JSGCOSHPSA-N 340.445 1.217 0 40 EDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1ccc2c(c1)CCO2 44916329 VXBNJPRGKPTZNQ-SJORKVTESA-N 346.427 1.089 0 40 EDAB COc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 44968096 YBWNJZFBGGKWOJ-BXUZGUMPSA-N 335.404 1.733 0 40 EDAB O[C@@H](COCc1ccc(Cl)cc1)Cn1nnc(-c2cccnc2)n1 58393083 HTIBWKTZNXCJQR-OAHLLOKOSA-N 345.790 1.966 0 40 EDAB CCCS(=O)(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 58368855 NOKWVUXKIFAOCK-OAHLLOKOSA-N 330.425 1.528 0 40 EDAB O=C(NCCN1CCCS1(=O)=O)C12CC3CC(CC(C3)C1)C2 58417625 MLEWUXPMPZURJK-UHFFFAOYSA-N 326.462 1.355 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 58498568 COAMCRXIDRVYHN-KBPBESRZSA-N 349.431 1.695 0 40 EDAB CC1(C)NC(=O)N(CCCC(=O)Nc2ccc3c(c2)OCCO3)C1=O 28647959 FOMXOYDDSPAZNF-UHFFFAOYSA-N 347.371 1.507 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)N[C@H]1CCCc2ccccc21 11233417 CZYKDTYJBHFVRW-CABZTGNLSA-N 344.444 1.710 0 40 EDAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccccc2)cc1 8878776 WBZWODXXRNVXBZ-UHFFFAOYSA-N 332.425 1.708 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(Cl)cc2)CC1 59897788 MASAGQPJVLLPKC-LBPRGKRZSA-N 342.848 1.423 0 40 EDAB CC(C)CN1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cn2)CC1=O 29785790 JGPTVQXGSWIDDW-CQSZACIVSA-N 346.431 1.361 0 40 EDAB O=C(c1ccn2ccnc2c1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 95450425 IGPHWTWREISSGJ-HOCLYGCPSA-N 338.411 1.950 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 60524578 QQWGVSQCGKOLKW-XHSDSOJGSA-N 347.459 1.722 0 40 EDAB O=C1CN(C(=O)COC(=O)c2cccnc2Cl)c2ccccc2N1 3416435 ZEZTTXFHRRWUKE-UHFFFAOYSA-N 345.742 1.877 0 40 EDAB COC(=O)C1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1 20108904 QIUYGNYIFHVGIU-UHFFFAOYSA-N 346.427 1.544 0 40 EDAB COc1cc(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc(OC)c1 3597391 SRSRSMBEFSIARZ-AWEZNQCLSA-N 349.387 1.609 0 40 EDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 48603885 WFJJZRWOWQHKOD-LLVKDONJSA-N 348.428 1.397 0 40 EDAB CC1(C)[C@@H](C(=O)Nc2ccccc2CC(=O)NC2CC2)[C@H]1C(=O)O 71285041 NKVJBJBDYAVHLR-CABCVRRESA-N 330.384 1.803 0 40 EDAB O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)NC1CCCC1 71284221 MMIZEBFNTOMIDR-UHFFFAOYSA-N 348.422 1.716 0 40 EDAB O=C([C@@H]1CCCN1c1ccc(Br)cn1)N1CCOCC1 84425378 MPOFTKIVJMKMPW-LBPRGKRZSA-N 340.221 1.672 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 84544471 SODCJTPPTXNXDV-GFCCVEGCSA-N 341.433 1.681 0 40 EDAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccc[nH]c2=O)c1 65530548 RJJSYMSPENPMGL-UHFFFAOYSA-N 331.397 1.994 0 40 EDAB Cc1nccn1CCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 95396083 UKZKQPIAVFHVAS-AEFFLSMTSA-N 340.427 1.917 0 40 EDAB C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCOCC1 14134994 BGMIMVARZTXPGZ-IHWZXDPASA-N 335.448 1.502 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NCCC(=O)N(C)Cc1ccccc1 65620964 OKLZUKALPCJQRD-OAHLLOKOSA-N 343.431 1.620 0 40 EDAB CCN(CC)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 4510681 BXQGYRVBFRNKRJ-UHFFFAOYSA-N 328.390 1.050 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CSc1nc(N)c2ccsc2n1 9884184 LPVZUWWNJJXJAQ-UHFFFAOYSA-N 339.446 1.990 0 40 EDAB Cc1ccc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)cc1 6767761 KGWZHGVBPWZMKA-UHFFFAOYSA-N 332.429 1.732 0 40 EDAB Cn1c(=O)/c(=C/c2ccc(F)cc2)s/c1=C\C(=O)c1ccco1 96996680 BICOOSCSGRHKAT-VULZFCBJSA-N 329.352 1.671 0 40 EDAB Cc1occc1C(=O)NC1CCN([C@H](C)C(=O)N2CCCC2)CC1 66891356 DPBQCPZKKHPXIO-CYBMUJFWSA-N 333.432 1.793 0 40 EDAB CCCOc1cccc(C(=O)NCCNC(=O)c2cnccn2)c1 4985299 DRNDMUSJDYVHRN-UHFFFAOYSA-N 328.372 1.425 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCCc1ccccn1 96257569 SNWBYTIYWAHQAC-MRHLJLSQSA-N 333.457 1.998 0 40 EDAB Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2nncn2C)N(C)C)cc1 67704948 ANPWRMXWSODHET-DZGCQCFKSA-N 330.436 1.787 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)Nc1ccc(F)cc1F 69032066 OXGJQTUUMBOURC-UHFFFAOYSA-N 347.387 1.806 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](C)C2=O)c(Br)c1 9591331 QAJMFZIRPGMLHR-QMMMGPOBSA-N 340.177 1.636 0 40 EDAB CC(=O)Nc1nc(COC(=O)CCn2c(C)csc2=O)cs1 8313013 NLGWRHKYOVCBNZ-UHFFFAOYSA-N 341.414 1.767 0 40 EDAB CCn1c(SCC(=O)Nc2nncs2)nnc1-c1cccnc1 17072263 PIBMHKSZHMZBKT-UHFFFAOYSA-N 347.429 1.942 0 40 EDAB C[C@@H](NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)c1ccccn1 69487391 WWXJNRWGCILFEF-OLZOCXBDSA-N 340.449 1.256 0 40 EDAB COCCN(C)CCNC(=O)c1cnn(C)c1-n1c(C)ccc1C 69416075 AAOIPCDKKHBPDW-UHFFFAOYSA-N 333.436 1.136 0 40 EDAB NC(=O)CN1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 69441398 ZINTWTSPXIDAOX-NEPJUHHUSA-N 335.370 1.375 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(CCC(=O)Nc3cc(C)on3)CCO2)n1 69413710 UCCGUUJDSGBRQP-HNNXBMFYSA-N 347.419 1.526 0 40 EDAB COc1cccc(N2CC[C@@H](CNC(=O)N3CCC[C@H](CO)C3)C2)c1 71855162 DPSXADAYLPETDV-HOTGVXAUSA-N 347.459 1.935 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2c(C)nn(C)c2C)n(C)n1 71876671 BURDLFQGLUCFSA-CQSZACIVSA-N 330.436 1.854 0 40 EDAB NC(=O)CN1CCC(NC(=O)CCCc2nc3ccccc3o2)CC1 71847958 NZOAVGRDSJUVOX-UHFFFAOYSA-N 344.415 1.216 0 40 EDAB CN1C[C@H](C(=O)NCc2cccc(COC3CCOCC3)c2)CC1=O 71894466 OVSJMVSUGGJQIX-MRXNPFEDSA-N 346.427 1.477 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)[C@@H](C)Cn3cccn3)CC2)n1 69518183 TVUKBRZCDJYZBE-AWEZNQCLSA-N 344.419 1.057 0 40 EDAB Cn1cc(CCNC(=O)[C@H](c2ccccc2)N2CCSCC2)cn1 69528583 ATCWODNLILSFQQ-KRWDZBQOSA-N 344.484 1.869 0 40 EDAB O=C(/C=C/c1ccccc1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 69538362 HXAABXZTUJOIBW-FHQWLQQXSA-N 334.441 1.077 0 40 EDAB COCCOc1ccc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1 69599387 WBVHDCGBPULJAW-AWEZNQCLSA-N 342.461 1.427 0 40 EDAB CCN(CC)C(=O)c1ccc(Br)c(S(N)(=O)=O)c1 82238148 DUVAJBOGTANALP-UHFFFAOYSA-N 335.223 1.579 0 40 EDAB CCn1c(CNC(=O)[C@H](C(C)C)N2CCCC2=O)n[nH]c1=S 71846975 UAQRMGGEGNBBAJ-LBPRGKRZSA-N 325.438 1.224 0 40 EDAB Cn1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1=O 91766093 UFMLUQLMUNUVLU-DOMZBBRYSA-N 334.322 1.612 0 40 EDAB COC(=O)CN(Cc1ccccc1Cl)C(=O)c1ccc[nH]c1=O 69600515 PDLSRTLXSBWNEP-UHFFFAOYSA-N 334.759 1.844 0 40 EDAB Cc1cc(S(=O)(=O)Nc2ccccc2C(N)=O)cnc1Cl 71910132 BGIGNARGRPEZCP-UHFFFAOYSA-N 325.777 1.943 0 40 EDAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(Cc2noc(C)n2)CC1 71907403 QJZQSSQNRWPALS-MRXNPFEDSA-N 348.378 1.549 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)NCc3ccco3)C2)n1 69817499 HYMUGZDTKOPCHL-OAHLLOKOSA-N 331.420 1.516 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2CCCS(=O)(=O)N(C)C)n1 69901029 SLLPRSBUVXHKKB-INIZCTEOSA-N 342.509 1.636 0 40 EDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCc2ccccc2C1 8707738 QSCDEFHGILKXJH-UHFFFAOYSA-N 349.390 1.665 0 40 EDAB C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)NC[C@H]1CCCO1 8727026 JWUAFTFTOLRYEY-DGCLKSJQSA-N 347.444 1.653 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCCn1ccnc1 87060563 FMPXODIKRKMOPX-ZDUSSCGKSA-N 331.424 1.652 0 40 EDAB CC[C@@H](C(=O)NCCc1ccn(-c2ccccc2)n1)N1CCCC1=O 95404184 OYFRMTUWWPRTKG-KRWDZBQOSA-N 340.427 1.932 0 40 EDAB COc1cc(CN[C@@H]2CCN(c3cc(C)nn3C)C2=O)ccc1F 95437395 SMSBVJMLGHRARX-CQSZACIVSA-N 332.379 1.771 0 40 EDAB CC(C)Cc1cc(C(=O)NCCc2nnc3ccccn23)cc(=O)[nH]1 95991752 FFIZWUOCZNOAEI-UHFFFAOYSA-N 339.399 1.589 0 40 EDAB O=C1C[C@@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CN1 95940935 WWRWDWXGOLKMSY-SECBINFHSA-N 338.289 1.966 0 40 EDAB COCc1nn(Cc2nn(-c3ccccc3)c3c2CCC3)c(=O)o1 89420497 GGDDAVPJUMKDBD-UHFFFAOYSA-N 326.356 1.705 0 40 EDAB CNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 89702543 YCZZSUQPQBQHKE-HNNXBMFYSA-N 341.415 1.323 0 40 EDAB CNC(=O)C1CCN(C(=O)NCc2ccc(OC(C)C)nc2)CC1 89890860 CPBVDUWQJKRYLY-UHFFFAOYSA-N 334.420 1.536 0 40 EDAB CCOc1ncccc1CNC(=O)NCc1nnc2n1CCCCC2 89988825 WPVJZBSCIMPRIV-UHFFFAOYSA-N 344.419 1.798 0 40 EDAB CN(CC1CC1)C(=O)CN1CCN(Cc2noc(C(C)(C)C)n2)CC1 76017747 BFGUVDFJFWPPLA-UHFFFAOYSA-N 349.479 1.353 0 40 EDAB CC(=O)Nc1ccc(OCc2noc(C(=O)NC(C)(C)CO)n2)cc1 20744429 WVRHQUJFXDORLD-UHFFFAOYSA-N 348.359 1.108 0 40 EDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NC(C)C)cc1 408533267 QDZJYRIEDUQJMK-UHFFFAOYSA-N 328.434 1.668 0 40 EDAB CC(C)n1cc(CN2Cc3ncn(C)c3[C@@H](C(=O)N(C)C)C2)cn1 306144963 ZTKXQNUQHIGUJQ-AWEZNQCLSA-N 330.436 1.385 0 40 EDAB O=C(c1ccccn1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 56903522 MVVYSIHDLOSADB-UHFFFAOYSA-N 346.394 1.896 0 40 EDAB O=C(NCc1nc(C2CC2)n[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 517173028 PNGLVIAGKMLHKS-OAHLLOKOSA-N 325.416 1.820 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832305 VVYYIUCDMDNMDX-RNCFNFMXSA-N 346.836 1.782 0 40 EDAB O=C(NC[C@H]1CC[C@]2(COCCN(CC3CC3)C2)O1)c1ccno1 306132567 LMNIQHYJJBGXEL-PBHICJAKSA-N 335.404 1.064 0 40 EDAB C[C@H]1CC(F)(F)CCN1S(=O)(=O)c1ccc(OCC(=O)O)cc1 530151114 BZXOTRQTNLOCCY-JTQLQIEISA-N 349.355 1.958 0 40 EDAB O=C(NC[C@](O)(c1ccco1)C1CC1)[C@@H]1COc2ccccc2O1 75154905 MXXKQGCVIXLWRR-MAUKXSAKSA-N 329.352 1.833 0 40 EDAB CCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(O)c1)NC(=O)N2 38671264 MJPOUVHTXONMJM-LBPRGKRZSA-N 330.344 1.267 0 40 EDAB CS(=O)(=O)c1nsc(NC(=O)CCCc2ccccc2)n1 36626335 PZEDWPSSHXSGIP-UHFFFAOYSA-N 325.415 1.903 0 40 EDAB COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)CCC(N)=O)C2)cc1C 12581942 YUSQQFOFDNDXRM-AWEZNQCLSA-N 346.427 1.999 0 40 EDAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCCO 217433582 UUAHEIVMUNOJHU-UHFFFAOYSA-N 330.406 1.256 0 40 EDAB O=C1CC[C@H](C(=O)NCc2cc(-c3cc4ccccc4o3)on2)N1 38754627 ZIFMGGPQRQKFSI-GFCCVEGCSA-N 325.324 1.983 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(N)CN)cc1 218630547 QPHVQXMJYZQXFE-ZACQAIPSSA-N 334.416 1.730 0 40 EDAB CCS(=O)(=O)N1CCCN(C(=O)COc2ccc(F)cc2)CC1 75019310 BSPHEBPSSOQBKR-UHFFFAOYSA-N 344.408 1.089 0 40 EDAB CS(=O)(=O)NCCC(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 562711286 DLXNCSBJHPWLSD-HNNXBMFYSA-N 336.457 1.722 0 40 EDAB CC(C)Nc1cnc(N(C)C)nc1[C@H]1CCCN1S(C)(=O)=O 72366250 YMRLBIPNOBBEQU-GFCCVEGCSA-N 327.454 1.459 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2ccco2)ccc1=O)C(=O)O 71333330 BBBVXZXLSIMQOB-MEBBXXQBSA-N 333.344 1.119 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2N)C1 225473938 HDCAQWPZWXWGLB-UPJWGTAASA-N 349.397 1.763 0 40 EDAB Cc1n[nH]c([C@H]2CN([C@@H]3CCc4ccccc4NC3=O)CCO2)n1 192045598 MFJAYLHATUGQPJ-HUUCEWRRSA-N 327.388 1.440 0 40 EDAB COc1ccc(F)cc1C[C@](O)(C1CCOCC1)[C@H]1CNCCO1 139576094 CPBHSHYQQLFAPW-MSOLQXFVSA-N 339.407 1.523 0 40 EDAB Cc1nc(N[C@H]2CCCN(CCO)C2=O)ccc1Br 573808323 KVOCAEDVHYCAFH-NSHDSACASA-N 328.210 1.548 0 40 EDAB COc1ccc(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 47324018 YUPXGIHIVUCVMY-GFCCVEGCSA-N 341.433 1.488 0 40 EDAB C[C@@H](C[S@](C)=O)NS(=O)(=O)c1c(F)c(F)cc(F)c1F 193829245 UFTREVXHBUTACO-AFAXDDTQSA-N 333.328 1.288 0 40 EDAB Cc1ccccc1C(=O)Nc1cnc(N2CCOCC2)nc1N(C)C 96121415 SOAFGRAVCYVLBA-UHFFFAOYSA-N 341.415 1.940 0 40 EDAB CCc1nsc(NCCN2CCN(C(=O)C3CCCC3)CC2)n1 95408618 BPXJEWPOTOCUJM-UHFFFAOYSA-N 337.493 1.847 0 40 EDAB CCN1C(=O)[C@]2(CC[C@@H]3CN(C(=O)NC4CCCC4)C[C@@H]32)N=C1C 96261454 PFMUITHULGQUBM-QIIPPGSGSA-N 332.448 2.000 0 40 EDAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)c1ccc(F)cc1)C2 96071512 NPNYSFNKSDXPFI-MRXNPFEDSA-N 340.420 1.856 0 40 EDAB Cn1cc([C@H]2CC3(CCN(C(=O)c4cccs4)CC3)NC2=O)cn1 96069625 QQSQJFUFBKMSHP-CYBMUJFWSA-N 344.440 1.760 0 40 EDAB Cc1nc(NC[C@H]2CS(=O)(=O)c3ccccc32)cc2nncn12 582653001 OESKYJNZQRWUCP-NSHDSACASA-N 329.385 1.416 0 40 EDAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1ccccn1)C2 96039766 IFWKTTDIVZIONC-HKUYNNGSSA-N 347.459 1.558 0 40 EDAB O=C(C1CC=CC1)N1CCc2ncc(CN3CCOCC3)n2CC1 96067905 MNARDCMJLXQBIT-UHFFFAOYSA-N 330.432 1.066 0 40 EDAB COc1ccc(CC(=O)N2CCOC[C@]3(CN(C)C[C@H]3C)C2)cc1 96202369 BXXDGTRRIQGWFQ-BEFAXECRSA-N 332.444 1.664 0 40 EDAB O=C(NCCN1CCOCC1)c1nnn(Cc2ccccc2)c1Cl 96183429 CMWBFBMJOXPMMB-UHFFFAOYSA-N 349.822 1.042 0 40 EDAB COc1ccc([C@@H](CN(C)C)NC(=O)c2n[nH]c3c2CCC3)cc1 330032752 RMNNAJVZLVHQCQ-MRXNPFEDSA-N 328.416 1.940 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1cccc(F)c1 96063959 OLIPWZQEBYAMPU-KGLIPLIRSA-N 326.393 1.003 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@]1(CC(=O)O)CCOC1 580543731 PJNZNSCNDGWWFO-CYBMUJFWSA-N 349.792 1.261 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)[C@@H]1Cc3ccccc3S1)CC2 97199134 VXSCIKVHFIRXOG-JSGCOSHPSA-N 328.441 1.989 0 40 EDAB O=C(c1ccoc1)N1CCC2(CC1)CN(c1cccnc1)C(=O)CO2 96201440 ALOJQSVBCBWHQQ-UHFFFAOYSA-N 341.367 1.713 0 40 EDAB O=C1C[C@]2(CCN(c3ncccn3)C2)CN1c1ccc2c(c1)OCO2 96050781 AVIZGJWIESRLQH-SFHVURJKSA-N 338.367 1.839 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96048290 OKUWTSOFSQATDM-GJZGRUSLSA-N 326.418 1.434 0 40 EDAB O=C(c1csnn1)N1CCO[C@@H]2[C@H](CNc3ncccn3)CC[C@H]21 96082573 GYZTVIGSSNKNFL-CYZMBNFOSA-N 346.416 1.060 0 40 EDAB O=C(Nc1cnccn1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccccn2)O1 96041090 HOZBBSGGMXYCIF-BZUAXINKSA-N 339.399 1.632 0 40 EDAB C[C@@H]1CN(c2ncccn2)CC[C@@]12CC[C@@H](C(=O)NCC1CC1)O2 96061301 BSDZCQCQZGBZEA-XUWXXGDYSA-N 330.432 1.767 0 40 EDAB CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccncc1)C2 96060872 LNIGINRCULHNSV-MRXNPFEDSA-N 344.463 1.371 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 96430584 LJRQTAXGXMZPJC-UHFFFAOYSA-N 347.806 1.875 0 40 EDAB C[C@@H]1CN(C2CCN(c3ccccc3S(C)(=O)=O)CC2)CCO1 91453781 SAFSGJWNMCXZOC-CQSZACIVSA-N 338.473 1.780 0 40 EDAB Cn1cccc1C(=O)N1Cc2c(cnn2C)[C@H](COCC2CC2)C1 96044646 ISFAIUITKCSMAS-AWEZNQCLSA-N 328.416 1.925 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccn1)C2 96065018 DPBVLBJZRJBCRS-AEFFLSMTSA-N 348.447 1.066 0 40 EDAB COCCNc1ccnc([C@H]2COCCN2Cc2ccccn2)n1 96220533 OGDFNANVAPTBCY-OAHLLOKOSA-N 329.404 1.503 0 40 EDAB CCOC(=O)c1cnc(N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)nc1C 585092081 DIVFOOHMYXYCTK-NWANDNLSSA-N 335.404 1.328 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 257279927 OITMYTGZMTXRLO-OAHLLOKOSA-N 347.346 1.609 0 40 EDAB COC(=O)C1(S(=O)(=O)N[C@H](C)Cc2c(C)noc2C)CCC1 585115682 NWSQHZVGCJEUDK-SECBINFHSA-N 330.406 1.238 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)CSC[C@H]2CCCCO2)nc1 585124484 FLXKKNMIJNIJIW-LLVKDONJSA-N 344.458 1.726 0 40 EDAB CC(=O)N1[C@@H]2CN(C(=O)c3cnc(C)cn3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257315394 VBCZLTPLDKFJOQ-JXSMBQFASA-N 328.416 1.789 0 40 EDAB CN(C)c1nc([C@H]2CCN(C(=O)C3CCOCC3)C2)cn2nccc12 257273862 NINRAJNQIUEFBH-AWEZNQCLSA-N 343.431 1.538 0 40 EDAB CO[C@H]1CC[C@H](C(=O)NCCc2nc(-c3ccncc3)n[nH]2)CC1 257233560 GPTCWXYCZPBARG-HDJSIYSDSA-N 329.404 1.731 0 40 EDAB Cc1ncc(CNS(=O)(=O)C2CCCC2)c([C@H]2CCCN2C)n1 257260925 LFBUTRKYUHMRPK-OAHLLOKOSA-N 338.477 1.914 0 40 EDAB COc1ccc([C@@H]2CN(S(=O)(=O)N3CCCC3)CCN2C)cc1 257320424 VWTIMOOMLAXZMN-INIZCTEOSA-N 339.461 1.324 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257222094 DRWBLHCOVBFLHI-INIZCTEOSA-N 339.399 1.853 0 40 EDAB CSC1(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2cnn(C)c2)CCC1 598224649 MGTAEHVYNMGPMV-KBPBESRZSA-N 338.477 1.194 0 40 EDAB CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)c1cnn2c(=O)cc[nH]c12 598693936 JVWFBTSHBVFUNG-GFCCVEGCSA-N 346.387 1.359 0 40 EDAB COC(=O)[C@@H]1CN(S(=O)(=O)N2CCCCC2)Cc2ccccc21 599504744 FXKIOIJXZLDXIE-OAHLLOKOSA-N 338.429 1.490 0 40 EDAB CCOC(=O)c1cc(Cl)nnc1N[C@H](C)CN1CCCC1=O 1616038734 OHOJVAHLNFUCLY-SECBINFHSA-N 326.784 1.730 0 40 EDAB CCCCNC(=O)[C@@H]1CSCN1C(=O)c1cnn2ccccc12 390833436 HLPKFTMOCJARTE-AWEZNQCLSA-N 332.429 1.766 0 40 EDAB Cc1cc(C)cc(CN2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)c1 585113093 ZQYJJTAZLCEQCB-KRWDZBQOSA-N 348.472 1.606 0 40 EDAB CS(=O)(=O)NC[C@H]1CN(Cc2ccc(F)cc2)Cc2ccnn21 585112810 VOIDNFJPHJZWQF-HNNXBMFYSA-N 338.408 1.128 0 40 EDAB CCCCNC(=O)CN(c1ccc(C(C)=O)cc1)S(=O)(=O)CC 65518746 MNNKFGDWHVLBFO-UHFFFAOYSA-N 340.445 1.962 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1Cc2ccccc2O1 46619407 WIIZMRWODJNMBU-ZDUSSCGKSA-N 346.408 1.376 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 48301772 KPEZCFBJMQDESF-CXAGYDPISA-N 349.456 1.939 0 40 EDAB CN(C)[C@@H](C(=O)N[C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1 83021604 VUERGEPXMHMVGV-DLBZAZTESA-N 345.443 1.185 0 40 EDAB Cc1cccc(CCNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1 76017044 ZOVMYUCRWCIQRI-INIZCTEOSA-N 341.415 1.376 0 40 EDAB CC(=O)N(C)CC(=O)N[C@H](C)Cc1ccccc1Br 89904187 QLXJARQJYAPOMC-SNVBAGLBSA-N 327.222 1.975 0 40 EDAB CC(C)(C)NC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 12146273 ZNPGHGJBHIAXRX-AWEZNQCLSA-N 329.400 1.553 0 40 EDAB Cc1csc2c(=O)n3c(nc12)CCN(C(=O)c1ccccn1)CC3 12253533 XAFDCHNYOABOJB-UHFFFAOYSA-N 340.408 1.860 0 40 EDAB Cc1nc(C2CCN(S(C)(=O)=O)CC2)nc(N2CCCC2)c1C 12743370 KELNPBCRYSJHLS-UHFFFAOYSA-N 338.477 1.833 0 40 EDAB Cc1cc(-c2cc(=O)n(CC(=O)NCC3CC3)nc2C(C)C)on1 13226121 MCVHNURNWXYIIF-UHFFFAOYSA-N 330.388 1.856 0 40 EDAB O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)N(Cc2ncc[nH]2)C1 15674654 GFWOMUPIAJVKCQ-KGLIPLIRSA-N 325.372 1.691 0 40 EDAB biogenic,in-vitro COc1ccc([C@@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1OC 19937534 RNBGRRAVSYUFCS-SNVBAGLBSA-N 345.399 1.824 0 40 EDAB CCOC(=O)c1csc(=O)n1Cc1nnc(-c2ccccc2)n1C 156717344 UQASWAAOEBUGPH-UHFFFAOYSA-N 344.396 1.930 0 40 EDAB CCc1nc(N2C[C@@H]3CN(C(=O)C4CCC4)C[C@H]3C2)nc(O)c1F 1888850287 LDNMPUSYAYNFAX-RYUDHWBXSA-N 334.395 1.578 0 40 EDAB Cc1cc2ncnc(N3CCN(c4cc(N(C)C)ncn4)CC3)c2[nH]1 1889148930 NMRIGPYJMNEFLD-UHFFFAOYSA-N 338.419 1.449 0 40 EDAB COc1cnc(C(=O)N2[C@H]3CC[C@H]2CN(Cc2cccnc2)C3)nc1 1017721144 UHYSBBOLOLMGHA-GJZGRUSLSA-N 339.399 1.369 0 40 EDAB Cc1nc(CN2CCN(c3ccc4nc(C)c(C)n4n3)CC2)no1 2087018062 OZKQGZBBSQRPJI-UHFFFAOYSA-N 327.392 1.360 0 40 EDAB O=C(Cc1ccc(F)cn1)N1C[C@H]2CCN(CC3CC3)C(=O)[C@@H]2C1 1565542777 QPZVUUOAVZYADT-CZUORRHYSA-N 331.391 1.480 0 40 EDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]2OCC[C@H]21 1565547688 RNJMZPCDNQHTRS-BFHYXJOUSA-N 342.386 1.421 0 40 EDAB COCc1cn([C@@H]2CCN(S(=O)(=O)/C=C/c3ccccc3)C2)nn1 1565523275 KNWKNNHCQFFDFX-XAVKZTDYSA-N 348.428 1.672 0 40 EDAB Cc1cccc(CC(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)c1 10250915 AZVRQINHWLFYBU-UHFFFAOYSA-N 339.399 1.969 0 40 EDAB COCCC(=O)N1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055754634 LJPUNOSRBHTEJS-UHFFFAOYSA-N 345.443 1.729 0 40 EDAB O=C(NCc1nnc2c(O)nccn12)c1cc(O)nc2ccccc12 244986179 JJDHCHFVVWYBGT-UHFFFAOYSA-N 336.311 1.014 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCC[C@@H](Oc3ncccn3)C2)cc1 575613163 PFENGTATBDPJLV-OAHLLOKOSA-N 341.367 1.947 0 40 EDAB COc1ccc([C@H](O)CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 31569622 PZSACZTZTLNEKV-IAGOWNOFSA-N 341.363 1.627 0 40 EDAB O=C(C[C@@H](NCCN1CCOCC1)C(=O)O)c1ccc(Cl)cc1 20432501 IBHWBDSFPBGCSI-CQSZACIVSA-N 340.807 1.288 0 40 EDAB CCOCCOCc1cccc(CNC(=O)c2nccnc2N)c1 40525184 XFEWPZGEFGWZND-UHFFFAOYSA-N 330.388 1.542 0 40 EDAB Cc1c(C(=O)NCCN2C(=O)CSC2=O)cnn1-c1ccccc1 40554803 PZTHENGNYWCIOC-UHFFFAOYSA-N 344.396 1.606 0 40 EDAB COc1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(C(C)C)C2=O)cc1 51381958 AMDWPZZESOSZLL-SJCJKPOMSA-N 336.388 1.401 0 40 EDAB CCS(=O)(=O)C[C@H](C)NC(=O)N(C)Cc1cc(Cl)cn1C 89272326 SYFCDHJOYUXPLC-JTQLQIEISA-N 335.857 1.643 0 40 EDAB Cn1cc(N2CCN(C(=O)NCc3cccc(Cl)c3)CC2=O)cn1 78285889 BBLZEZHYHRPVMC-UHFFFAOYSA-N 347.806 1.632 0 40 EDAB CCCc1nc([C@@H]2CN(C(=O)[C@@H]3CCCCN3CCC)CCO2)n[nH]1 78890196 DVLFRVGBSOECRR-GJZGRUSLSA-N 349.479 1.922 0 40 EDAB Cn1cc(CCC(=O)OCc2cn(CC(=O)OC(C)(C)C)nn2)cn1 79110422 STPDDXDBDBHPRA-UHFFFAOYSA-N 349.391 1.029 0 40 EDAB COCCNC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 22696958 GCYTULKIHYQCDU-UHFFFAOYSA-N 329.400 1.539 0 40 EDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)C1 810904 VAQYHFYADUGVAZ-RYUDHWBXSA-N 346.474 1.725 0 40 EDAB NC(=O)CSCCC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 23101066 FMWKOWWOEFPHCZ-CQSZACIVSA-N 338.429 1.792 0 40 EDAB O=c1c2ccccc2nnn1CN1CCN(c2ccccc2O)CC1 12545843 AABWTJKSOSLNBI-UHFFFAOYSA-N 337.383 1.277 0 40 EDAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2ccccc2)CC1 106522928 ZUDVCIWWXXBEDT-YQQAZPJKSA-N 348.468 1.956 0 40 EDAB C[C@@H](c1ccc2c(c1)OCO2)N1C[C@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 100473435 LCPQTKFZJSZOCI-XENVASCMSA-N 343.335 1.343 0 40 EDAB O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)[C@@H]1CC1(Cl)Cl 108143975 SAFBESCINPNDFZ-MJBXVCDLSA-N 343.254 1.932 0 40 EDAB Cc1csc(=O)n1CCCC(=O)N1CCN(c2ncccn2)CC1 26537802 FKDDEHUIRRULTR-UHFFFAOYSA-N 347.444 1.137 0 40 EDAB CN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccn(-c3ccncc3)n2)C1 72702875 NMSQKQYNNQQGPH-ZDUSSCGKSA-N 342.403 1.599 0 40 EDAB NC(=O)NC(=O)CN(CCc1ccccn1)Cc1ccc(F)cc1 57660662 OJXVHTHROGJMQF-UHFFFAOYSA-N 330.363 1.460 0 40 EDAB CC(C)n1c(SCCCS(N)(=O)=O)nc2ccccc2c1=O 57744344 BYFKSIAYCBWFJH-UHFFFAOYSA-N 341.458 1.748 0 40 EDAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)no2)cc1F 27580147 OUXVAYQPBYABCA-LLVKDONJSA-N 338.360 1.706 0 40 EDAB O[C@@H](CN1CCN(Cc2ccc(Cl)s2)CC1)Cn1cccn1 95352992 AEXZLODHXBYIPO-ZDUSSCGKSA-N 340.880 1.777 0 40 EDAB Cc1csc(=O)n1CC(=O)NCc1nc(-c2cccs2)no1 58157562 KZXQEPUATMLHTO-UHFFFAOYSA-N 336.398 1.646 0 40 EDAB Cc1cccn2c(=O)cc(CN3CCN(c4cnccn4)CC3)nc12 27632002 ALSWFOIJCPXBSO-UHFFFAOYSA-N 336.399 1.115 0 40 EDAB O=C(CNC(=O)C1CCCCC1)Nc1cccc2c(=O)[nH]nc(O)c12 58249784 YBANECUQKDLGPC-UHFFFAOYSA-N 344.371 1.264 0 40 EDAB COc1ccc(COC[C@H](O)Cn2nnc(-c3ccccc3)n2)cc1 58283595 KURZVKRVUVUSQT-MRXNPFEDSA-N 340.383 1.926 0 40 EDAB Cn1cc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cn1 48193897 LJTLQQRLCSQZDG-AWEZNQCLSA-N 344.390 1.979 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN3CCCC[C@H]23)cn1 48287798 HYTDULOKRGGCRQ-CHWSQXEVSA-N 338.433 1.233 0 40 EDAB CCN(C(C)=O)c1nc(CN2CCN(C(=O)OC)CC2)cs1 48252672 SQGPZEBRDFOLLY-UHFFFAOYSA-N 326.422 1.400 0 40 EDAB O=c1oc2ccccc2n1CCN1CCN(C[C@H]2CCCO2)CC1 44974437 FASDBIRJKYOZSO-OAHLLOKOSA-N 331.416 1.391 0 40 EDAB CN(CC(=O)NC[C@H](O)COc1ccc(F)cc1)Cc1ccccc1 58369268 NNQVFWDGWLCMJH-KRWDZBQOSA-N 346.402 1.814 0 40 EDAB CN(C)CCOc1ccccc1CNC[C@H]1CNc2ccnn2C1 58356806 JSDCQISHDXGMJL-HNNXBMFYSA-N 329.448 1.655 0 40 EDAB CN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 58377962 KPSHYYSGPKVWMG-UHFFFAOYSA-N 338.410 1.900 0 40 EDAB O=C(CN(C1CC1)[C@@H]1CCc2ccccc21)N[C@@H]1CCCCNC1=O 58331660 XLQFVXVOXZDEGJ-QZTJIDSGSA-N 341.455 1.923 0 40 EDAB O=c1[nH]c(CN2CCN(c3ncccn3)CC2)nc2ccsc12 58161270 KTCNILWFZVYGRH-UHFFFAOYSA-N 328.401 1.097 0 40 EDAB CCNC(=O)c1cn(C)c(-c2nc3cc(N)ccc3n2C)c1OC 36369831 YGYFSYMTIUATQN-UHFFFAOYSA-N 327.388 1.919 0 40 EDAB biogenic CN1CCC(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3353208 BJKSLKDMADGSST-UHFFFAOYSA-N 326.418 1.173 0 40 EDAB O=C(N[C@@]1(C(F)(F)F)N=C2SCCN2C1=O)c1ccccc1F 2348550 QWUIXGGNOPJCID-GFCCVEGCSA-N 347.293 1.759 0 40 EDAB CC(=O)c1cccc(NC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)c1 23142096 PXJADEYKHQJTGB-UHFFFAOYSA-N 329.356 1.156 0 40 EDAB COC(=O)C[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1 2404077 VTPONXILNBKQOR-QLFBSQMISA-N 345.399 1.893 0 40 EDAB Nc1nccnc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 11535268 RSDHSCJRMCLKIP-UHFFFAOYSA-N 337.339 1.834 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1 29206938 GDNCRVQJNBJJPY-HSBSLETESA-N 326.393 1.379 0 40 EDAB NC(=O)[C@@H]1CC(C(=O)Nc2nccs2)=NN1c1ccc(F)cc1 29434159 XGDDTYVIQUVERN-NSHDSACASA-N 333.348 1.341 0 40 EDAB O=c1cc(CN2CCN(c3ccccc3O)CC2)nc2sccn12 3416849 OVPROCQEQSMKSD-UHFFFAOYSA-N 342.424 1.784 0 40 EDAB Cn1nccc1C(=O)N1CC[C@@]2(Cc3ncc(-c4cccnc4)n3C2)C1 306127370 FWVFXIAOSDHEEF-LJQANCHMSA-N 348.410 1.767 0 40 EDAB CN1CCN(c2ccccc2CNC(=O)NCCn2cccc2)CC1 95409480 PEXMPSHJHTYDSD-UHFFFAOYSA-N 341.459 1.739 0 40 EDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 13263119 KDLAHIJAVBPISK-LLVKDONJSA-N 341.385 1.333 0 40 EDAB C[C@@H](Cn1cnnc1)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 95450579 XMIQCNQQUMMDGJ-UFBFGSQYSA-N 329.187 1.823 0 40 EDAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccccc2NCCO)CC1 9162771 KRKPNKHMXBMTOZ-CQSZACIVSA-N 334.416 1.895 0 40 EDAB CC(C)CCNC(=O)Cn1c(=O)[nH]c2sc3c(c2c1=O)CCCC3 9137573 QQAQEQDOTDKQHT-UHFFFAOYSA-N 349.456 1.792 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2cccs2)NC(=O)N[C@]1(O)C(F)(F)F 4144506 PGEUKBIMRDIPOG-DKCNOQQISA-N 338.307 1.532 0 40 EDAB COc1ccccc1CNC(=O)CNc1nc(Cl)nc2[nH]cnc12 13656106 SPPXRKQKKHHBCJ-UHFFFAOYSA-N 346.778 1.743 0 40 EDAB COc1c(CNCCS(=O)(=O)NC2CCCCC2)c(C)nn1C 65593624 XFCFETBOPAVPJS-UHFFFAOYSA-N 344.481 1.079 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NCc2cnn(-c3ccccc3)c2)C1 65565500 ARFPSFCWLMAXKS-MRXNPFEDSA-N 341.415 1.682 0 40 EDAB NC(=O)CC1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 65514548 BGOGRYVQXDISLP-CQSZACIVSA-N 344.415 1.089 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@@H]1COc2ccccc2C1 65552745 JLDXJQOLVWXHJN-INIZCTEOSA-N 342.443 1.658 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NC2CCC(C)CC2)ccc1OC 14234366 VMYWKHHPDWKPDA-UHFFFAOYSA-N 340.445 1.912 0 40 EDAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NC1=NCCS1 9378975 IVSFTKKGDRMZIZ-UHFFFAOYSA-N 334.426 1.668 0 40 EDAB COc1ccc(C(=O)NC(=O)COC(=O)c2ccccc2O)cc1 6641899 VRLFDCXFIRUWRM-UHFFFAOYSA-N 329.308 1.514 0 40 EDAB Cc1cc(OCC(=O)NCCCN(C)C)c2c(C)cc(=O)oc2c1 6660126 LFCUJEPITYPHSR-UHFFFAOYSA-N 332.400 1.857 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cn1 66798097 AGNXOELRKMRCIK-KGLIPLIRSA-N 325.372 1.906 0 40 EDAB Cc1csc(=O)n1CCC(=O)NC[C@@]1(O)CCCc2ccccc21 66930217 ANMBLQAQYOBJGU-SFHVURJKSA-N 346.452 1.949 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 7012643 IPVTTXDMJZYBNM-UHFFFAOYSA-N 349.412 1.440 0 40 EDAB Cc1cccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1C 67556066 ZAUHNICULGQVLR-ZDUSSCGKSA-N 325.434 1.849 0 40 EDAB Cn1nccc1C(=O)N1C[C@@H]2OC[C@H](CCOc3ccccn3)[C@@H]2C1 306128595 HFSVUPADCUBCLC-DZKIICNBSA-N 342.399 1.371 0 40 EDAB Cc1ccc2c(c1)CCCN2CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 7214221 HIDXGLAFHQJUKN-OAHLLOKOSA-N 336.457 1.393 0 40 EDAB O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc(=O)c(O)co1 67641651 VDPVNFPVXSZGBN-AWEZNQCLSA-N 328.368 1.597 0 40 EDAB Cc1ccc(Cn2ccs/c2=N\C(=O)c2ccc(=O)n(C)n2)cc1 15651959 QDTATGYTNRSMJT-ZCXUNETKSA-N 340.408 1.741 0 40 EDAB CC(=O)Nc1ccc(/C=C/C(=O)N[C@H](C)CN2CCN(C)CC2)cc1 71883491 JIYLKJSCEGUKAR-RZIFZGNASA-N 344.459 1.410 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C 71880137 ACQQPGMTKHEXFD-LBPRGKRZSA-N 343.493 1.307 0 40 EDAB CN(Cc1cccs1)C(=O)CN[C@@H]1CCCN(c2cccnn2)C1 71877466 WUNQQQIGSDXSNJ-CQSZACIVSA-N 345.472 1.755 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)Cc2cn3ccsc3n2)cc1 8278221 CHFFBJIJHWXZLP-UHFFFAOYSA-N 335.410 1.981 0 40 EDAB CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 8225364 GANPFZFKOJIWND-UHFFFAOYSA-N 344.742 1.725 0 40 EDAB CCOc1ccccc1NC(=O)N1CCN(C[C@H]2COCCO2)CC1 70018822 HPLRFQFHJWOBPV-HNNXBMFYSA-N 349.431 1.650 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)CCc1ccncc1 71847396 HPPSXRFQPVUHBP-LBPRGKRZSA-N 329.322 1.684 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)c1ccc(OCc2ccccc2)nc1 69581814 HBJFTQIBXIXIJJ-CYBMUJFWSA-N 327.384 1.915 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(N(C)C)nc1 69582696 IGVFHEFADSZHDU-UHFFFAOYSA-N 340.387 1.282 0 40 EDAB Cc1cccc(CS(=O)(=O)NC[C@H](C)CN2CCOCC2)c1 71915804 YPJRLNSDAMVZGD-HNNXBMFYSA-N 326.462 1.383 0 40 EDAB CCOC(=O)NC(=O)COC(=O)c1cc(Cl)c2c(c1)OCO2 8547031 ZANVUSNAGQAVCI-UHFFFAOYSA-N 329.692 1.498 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cccc(Cl)c2)CC1 69739909 QRDSPJIOLALFPJ-HNNXBMFYSA-N 326.824 1.495 0 40 EDAB CCc1ncc2c(n1)CN(CC(=O)N(C)Cc1ccc(C)o1)CC2 69949346 PDVOTPIGGNKCKP-UHFFFAOYSA-N 328.416 1.957 0 40 EDAB O=C(CN1CCCCC1=O)Nc1cccn(Cc2ccccc2)c1=O 88267617 CENCVGKLKFLCNB-UHFFFAOYSA-N 339.395 1.848 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(Cc3c[nH]nc3C)CC2)cc1C 97032530 JBMHJHMKYFGSGW-UHFFFAOYSA-N 348.472 1.841 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1cc2c([nH]c1=O)CCCCC2 72291313 ZKJKRJFMKDPPBW-CYBMUJFWSA-N 326.400 1.585 0 40 EDAB COc1ccc(CC(=O)N2CCN(C[C@H](O)C(F)(F)F)CC2)cc1 97141599 AJCARDHDKZBMDJ-AWEZNQCLSA-N 346.349 1.305 0 40 EDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1nc2ccccc2n1C 72300533 HNAXUFSPKJGIPF-STQMWFEESA-N 336.461 1.333 0 40 EDAB CCN1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)C1=O 95961676 DLLPZTPTKXTWCS-PXAZEXFGSA-N 347.419 1.489 0 40 EDAB CCOC(=O)[C@@H]1C[C@H]1c1nc2sc(C(=O)NC)c(C)c2c(=O)[nH]1 95993718 GBZZWOGXRYURRJ-HTQZYQBOSA-N 335.385 1.319 0 40 EDAB Cc1cc(-n2nc(C)cc2NC(=O)CCc2nc(C)no2)nc(C)n1 89599395 HLKIAJOZBIHPTQ-UHFFFAOYSA-N 341.375 1.850 0 40 EDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H]1CCCN(c2cnn(C)c2)C1=O 89948759 NZDHJQHIJMZZFF-HYVNUMGLSA-N 347.463 1.152 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCOc4ccccc43)CCO2)n1 76044817 DPLYTYZVDUJAMN-HIFRSBDPSA-N 328.372 1.579 0 40 EDAB Cc1occc1C(=O)NCC(=O)Nc1nc(-c2cnn(C)c2)cs1 76087708 DSJHOCLWSSGUNX-UHFFFAOYSA-N 345.384 1.814 0 40 EDAB CCOC(=O)C1=C(C)n2c(sc(=C(C)C)c2=O)=N[C@@H]1c1ccco1 408730848 JJRLEBBBTIMNKA-CYBMUJFWSA-N 346.408 1.862 0 40 EDAB CC(C)CN1C[C@@H]2[C@H](C1)[C@H](NC(=O)c1ccco1)CCS2(=O)=O 306141918 WJZGSAZEZLYNTM-UMVBOHGHSA-N 340.445 1.153 0 40 EDAB COCC(=O)Nc1ccc(NS(=O)(=O)[C@@H]2CCCC[C@@H]2O)cc1 78551950 ZPVOVVPQVMXINX-UONOGXRCSA-N 342.417 1.317 0 40 EDAB Cc1nc2cc(-c3nccn3C)nn2c(N2CCN(C)CC2)c1C 72338496 BRAWXVTYTSPKMZ-UHFFFAOYSA-N 325.420 1.498 0 40 EDAB O=C(CSc1nccc2ccccc12)N[C@@H]1CCS(=O)(=O)C1 30831848 XZNXDPKBCXFRAK-GFCCVEGCSA-N 336.438 1.630 0 40 EDAB C[C@H]1CN(CCSc2nc3sccc3c(=O)n2C)CCO1 188234071 XYMLTPHSUWNXOZ-JTQLQIEISA-N 325.459 1.808 0 40 EDAB O=c1[nH]c2c(-c3ccccn3)nsc2c(=O)n1C[C@@H]1CCCO1 49410013 WODKOUCUHBZFRE-VIFPVBQESA-N 330.369 1.387 0 40 EDAB COC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 44866384 QRSCQOJJQOHQDD-ZDUSSCGKSA-N 340.420 1.798 0 40 EDAB Cc1ccc([C@H](O)CNS(=O)(=O)c2ccc3c(c2)OCCO3)o1 49026866 TZGDJGSGTWQLSO-GFCCVEGCSA-N 339.369 1.371 0 40 EDAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccco3)c(C)cc21 223352195 WAQCQCYQRUHZHF-UHFFFAOYSA-N 336.369 1.994 0 40 EDAB O=C(c1cscn1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 225464314 LNQZUUKFWJVHTB-CQSZACIVSA-N 341.396 1.938 0 40 EDAB CCc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)OC 226687626 JFYWENCHYSUDST-UHFFFAOYSA-N 327.402 1.585 0 40 EDAB CCOC(=O)CNC(=O)CN1CCN(c2ccc(Cl)cc2)C1=O 49382400 YJECNMAPXHWPGP-UHFFFAOYSA-N 339.779 1.261 0 40 EDAB CC(C)[C@H](C)NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 225223805 AJZTYCRKNJXZTE-JTQLQIEISA-N 334.388 1.892 0 40 EDAB C[C@H](NC(=O)NCCc1ccc(Br)o1)C(=O)N(C)C 195580080 JWKQZHFMMVVSMT-QMMMGPOBSA-N 332.198 1.361 0 40 EDAB O=C(CCn1nc2ccccn2c1=O)Nc1cc(C2CCCC2)[nH]n1 96412557 AYMIUCMUHISMAA-UHFFFAOYSA-N 340.387 1.906 0 40 EDAB CCc1nnc(NC(=O)c2cccc(OCc3nnnn3C)c2)s1 96101329 RQPMEYOSWAOUAQ-UHFFFAOYSA-N 345.388 1.455 0 40 EDAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2cccc(F)c2)cn1 96184617 FIMVMAWJKLDVFB-ZWKOTPCHSA-N 342.418 1.977 0 40 EDAB CN1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1ccsc1)C2 96050344 FERNISQFHGFQAH-QGZVFWFLSA-N 345.472 1.405 0 40 EDAB CCn1cnc2c1[C@H](C(=O)O)CN(S(=O)(=O)c1ccccc1)C2 96196763 MUSHGEWIQYUILD-GFCCVEGCSA-N 335.385 1.276 0 40 EDAB O=C(O)[C@H](O)[C@@H](O)C(=O)N(Cc1ccccc1)Cc1ccccc1 90614555 QHERASGNOTZQLN-HZPDHXFCSA-N 329.352 1.022 0 40 EDAB COc1ccccc1-n1ccnc(N2CCC(C(=O)O)CC2)c1=O 96530510 UCUMSZMUVPASQE-UHFFFAOYSA-N 329.356 1.542 0 40 EDAB COc1ccc(C(=O)NCCNc2cc(N3CCCC3)cnn2)cc1 96120933 VJBWEJMIBKJYRX-UHFFFAOYSA-N 341.415 1.927 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c(C)c1F 96501581 FGAAZOGYLWDPLI-LBPRGKRZSA-N 342.436 1.905 0 40 EDAB O=C(c1ccncn1)N1CCOC[C@@H]1c1nccc(NCC2CC2)n1 96220684 XTYQYQSMYPAJGY-CQSZACIVSA-N 340.387 1.302 0 40 EDAB Cc1nc(N2CCC3(CC2)[C@@H](OCCN)C[C@H]3O)nc2c1CCCC2 92064772 MWMZEIYTZPQNSI-SJORKVTESA-N 346.475 1.359 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)NCc2coc(-c3ccccc3)n2)c1C 96423238 DTHUYTLTIMGYQF-UHFFFAOYSA-N 338.367 1.982 0 40 EDAB CCc1cc(N2CCC(NC(=O)[C@H]3CCCCN3CC)CC2)ncn1 96450153 PBENLAHBMBDRDM-QGZVFWFLSA-N 345.491 1.998 0 40 EDAB Cc1cc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3CC2)no1 96083962 FBPQHLUWPBRJFE-UHFFFAOYSA-N 338.371 1.415 0 40 EDAB Cc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cn1 96420489 FLKGDOLQSJAZMC-SFHVURJKSA-N 325.412 1.907 0 40 EDAB Cn1cccc1C(=O)N1CC[C@]2(C[C@@H](Nc3cccnc3)CO2)C1 96218998 LCAFNLGTEDNFGP-QAPCUYQASA-N 326.400 1.906 0 40 EDAB CO[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1Cc1cnn(C)c1 96200209 FOZHXRXGKWTOFB-DLBZAZTESA-N 349.456 1.749 0 40 EDAB C[C@@H](C(=O)Nc1ccc2[nH]cnc2c1)n1nnc2ccccc2c1=O 95476878 PVLWEHVMGPDKAB-JTQLQIEISA-N 334.339 1.868 0 40 EDAB Cc1cccc(O[C@@H](C)C(=O)N2CC[C@H](n3cc(C(=O)O)nn3)C2)c1 585088471 BZWRCAMQPRMMSV-STQMWFEESA-N 344.371 1.526 0 40 EDAB O=C(NO[C@H]1CCCCO1)c1ccccc1S(=O)(=O)C(F)F 585087325 NJPFCAYHLXXIHG-NSHDSACASA-N 335.328 1.871 0 40 EDAB CN(C)C(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 96239031 BTUVYUATSSFTAP-KRWDZBQOSA-N 331.372 1.526 0 40 EDAB Cc1ccc(S(=O)(=O)N=c2[nH]o[nH]c2=NC(=O)C(C)(C)C)cc1 585129279 DRERIDRSTIQRKL-UHFFFAOYSA-N 338.389 1.007 0 40 EDAB Cc1cc(CCNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)cc(C)c1O 249392540 BTFQDDOGGOQPQY-RNGZQALNSA-N 330.428 1.962 0 40 EDAB O=c1c(-c2ccccc2)cncn1Cc1nnnn1CC(F)(F)F 252500041 SMIZITSYWBANNN-UHFFFAOYSA-N 336.277 1.507 0 40 EDAB CN1C[C@@]2(C)CN(C(=O)c3c[nH]c4ccccc34)C[C@@](C)(C1)[C@H]2O 252448851 ZWXXWQXGNIKCTR-LDLYASANSA-N 327.428 1.943 0 40 EDAB biogenic CC(=O)N1CC2(CCN(Cc3ccnc(C)n3)CC2)C[C@@]1(C)CO 257274807 NMSQWBAWAVVJJC-KRWDZBQOSA-N 332.448 1.370 0 40 EDAB COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCCO1 253416284 RJMCRXNGCOWFNT-UHFFFAOYSA-N 348.808 1.376 0 40 EDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)CC2CCOCC2)n1 257287118 POPGGUYFLNVABQ-KRWDZBQOSA-N 346.431 1.593 0 40 EDAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CC)cc1 253606231 VZJGNEVTCLSWPI-AWEZNQCLSA-N 345.486 1.837 0 40 EDAB COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)[C@H](C)SC)nn1 252477381 MULSEXVRUDPKCF-WCQGTBRESA-N 327.406 1.843 0 40 EDAB CCc1noc(C)c1C(=O)N1CCO[C@H](c2nccnc2NC)C1 257239809 HQWQSQBHVBYGOQ-LBPRGKRZSA-N 331.376 1.591 0 40 EDAB Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)s1 24639555 WEVIKZSIAOOBJT-VIFPVBQESA-N 346.368 1.567 0 40 EDAB CC(C)COc1ncccc1C(=O)N1CCC[C@H](S(C)(=O)=O)C1 274217760 UTLIKWZWBLKLLI-ZDUSSCGKSA-N 340.445 1.766 0 40 EDAB CCN1CCN([C@H]2CCN(c3cc(O)nc4cccnc34)C2)CC1 596120985 HIAMUISAZUVRLJ-AWEZNQCLSA-N 327.432 1.552 0 40 EDAB COC(=O)[C@H](C)[C@H](C)S(=O)(=O)NCCc1csc(C(C)C)n1 1615586173 QUCHQMMXQAMQEE-MNOVXSKESA-N 348.490 1.926 0 40 EDAB COC(=O)Cc1csc(CNC(=O)[C@H]2CCc3cccc(O)c32)n1 1615586440 NZRJBVWXKTYETP-LBPRGKRZSA-N 346.408 1.910 0 40 EDAB O=C(NC1CCC1)[C@H]1C[C@]12CCN(C(=O)Cc1ccc(F)cn1)C2 585101519 LIVTUTYNAJTKOD-QAPCUYQASA-N 331.391 1.671 0 40 EDAB CCS(=O)(=O)NC[C@H]1CN(Cc2ccccc2C)Cc2ccnn21 585111823 HKEICRDNAAGKCU-KRWDZBQOSA-N 348.472 1.688 0 40 EDAB Cc1n[nH]cc1C(=O)N1CCO[C@](CO)(Cc2ccccc2F)C1 585276832 RDUAWKSTOFTZRD-QGZVFWFLSA-N 333.363 1.303 0 40 EDAB O=C1C[C@@H](C(=O)NCCCOC[C@H]2CCCO2)c2ccccc2N1 65417535 APQRZHULQUEMFT-UKRRQHHQSA-N 332.400 1.814 0 40 EDAB O=C(c1ccccc1-n1cnnn1)N1CCC(Nc2cccnc2)CC1 68338633 IHIHDXYGEKTBCQ-UHFFFAOYSA-N 349.398 1.774 0 40 EDAB CN(Cc1nccn1C)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 69660839 GWIJXQIWSGBDHG-CYBMUJFWSA-N 336.461 1.470 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)[C@@H](C)Oc3ccccc3)C2)n1 1775985954 KNIMCBOGZXXFJQ-CQSZACIVSA-N 327.384 1.478 0 40 EDAB NC(=O)[C@H]1CN(c2cncc(OCc3cccc(Cl)c3)n2)CCO1 86181458 OKJRNLSUFUNRKL-CYBMUJFWSA-N 348.790 1.400 0 40 EDAB CS(=O)(=O)CCCNC(=O)c1cnn(-c2ccc(F)cc2F)c1 95441096 LXJLKXOKHBISAW-UHFFFAOYSA-N 343.355 1.315 0 40 EDAB CN(C)[S@](C)(=O)=NS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 1616031125 JWUAYPRWYHWEIM-HXUWFJFHSA-N 332.447 1.663 0 40 EDAB Cc1ccc(C(=O)NCCCN2CCCC2)cc1NS(C)(=O)=O 13612348 QROOLKCOKFOQOR-UHFFFAOYSA-N 339.461 1.582 0 40 EDAB CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)C3CCC3)ncc2C1 19018460 ORTYFUMLECURDF-MRXNPFEDSA-N 328.416 1.845 0 40 EDAB CC1CCN(c2nc([C@H](C)NC(=O)c3ccnn3C)cc(=O)[nH]2)CC1 19497020 YQNDPEUIHFIPSV-LBPRGKRZSA-N 344.419 1.231 0 40 EDAB CCOc1ccc(N2C(=O)C(Cl)=C(N3CCN(C)CC3)C2=O)cc1 19793154 OXVAYNJTNVBJMG-UHFFFAOYSA-N 349.818 1.656 0 40 EDAB COc1ccc(CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 19936359 QNDKAUWIXBGRLU-UHFFFAOYSA-N 348.380 1.651 0 40 EDAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)NC(C)(C)C)CCC3)n1 9520893 SGHMZCOLHXNQGS-UHFFFAOYSA-N 343.431 1.449 0 40 EDAB O=C1[C@@H]2CN(c3ncc(Cl)cn3)C[C@H]2C(=O)N1Cc1ccccc1 1888849680 ILYYPTKNMWOXMH-ZIAGYGMSSA-N 342.786 1.751 0 40 EDAB CCc1nc(N2C[C@H]3CN(C(=O)C4CCCC4)C[C@H]3C2)nc(O)c1F 1888850345 UAHJCHWAHRYWQF-BETUJISGSA-N 348.422 1.969 0 40 EDAB CN(C)c1nccnc1C[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 2037843734 GPEANTHUOSYYNP-LBPRGKRZSA-N 338.419 1.668 0 40 EDAB C[C@@]1(O)CCN(C2CCCCC2)C[C@H]1n1cnc2c(N)ncnc21 2037849885 BGDKBVHCOXGIRP-CXAGYDPISA-N 330.436 1.739 0 40 EDAB CN(C)[C@@H]1CCOC2(CCN(C(=O)c3cccn(C)c3=O)CC2)C1 1614940654 ICBRVYUTKCTCHX-CQSZACIVSA-N 333.432 1.101 0 40 EDAB COCCN1CC[C@]2(CN(C(=O)C3CC(F)(F)C3)C[C@H]2C)C1=O 1614936656 MCXQOKGOOCZZIH-IAQYHMDHSA-N 330.375 1.375 0 40 EDAB O=C(c1ccsc1)N1CCc2ncnc(N3CCOCC3)c2CC1 1565548160 UIJLZASOSSFOLK-UHFFFAOYSA-N 344.440 1.616 0 40 EDAB Cc1cccnc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 5272459 GTNNGESXRNICCS-UHFFFAOYSA-N 331.353 1.173 0 40 EDAB O=C(N1CCC1)C1(n2cccn2)CCN(Cc2ccncc2)CC1 2055772650 JNNQIBNIKXIXRI-UHFFFAOYSA-N 325.416 1.502 0 40 EDAB COCC(=O)N1Cc2cn(CC3CC3)nc2[C@@H](COCC2CC2)C1 2055751061 COQGUNGBHCVKFD-MRXNPFEDSA-N 333.432 1.792 0 40 EDAB O=S(=O)(c1cccnc1)N1CCN(c2nc3ccccc3[nH]2)CC1 38489489 FNRKGAVTLGTUSB-UHFFFAOYSA-N 343.412 1.469 0 40 EDAB O=S(=O)(NCc1nnc2cc(C(F)(F)F)ccn12)N1CCCC1 225808276 KNTOIASAAUKDPH-UHFFFAOYSA-N 349.338 1.178 0 40 EDAB Cn1cc(S(=O)(=O)NCc2nccnc2-c2cccs2)cn1 575621356 VPKVPHHIZMAWQX-UHFFFAOYSA-N 335.414 1.417 0 40 EDAB Cc1nc2c(c(N3CCC(Cn4cnccc4=O)CC3)n1)CCC2 585636116 CDWJDBXVADPWGY-UHFFFAOYSA-N 325.416 1.747 0 40 EDAB O=C(NC1CC1)[C@]1(Cc2cccc(-c3cccnc3)c2)CNCCO1 72389350 XUYNYMNVQHFZKK-FQEVSTJZSA-N 337.423 1.928 0 40 EDAB CCc1ccc(OC[C@H](O)Cn2c(C)cc(=O)n3ncnc23)cc1 40498032 HLMCQHSOBBSSDS-CQSZACIVSA-N 328.372 1.202 0 40 EDAB CCOC(=O)Nc1ccc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 40548989 BTQCXNVATXEYAP-WCQYABFASA-N 333.388 1.981 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccnc1N(C)C 40525139 YSWJUFRFRUFYCG-LRDDRELGSA-N 327.384 1.992 0 40 EDAB CNC(=O)[C@@H](NS(=O)(=O)c1cc(F)ccc1C)c1ccccc1 40555335 MCHDPCKZHYQRRX-HNNXBMFYSA-N 336.388 1.900 0 40 EDAB Cc1ccc(-c2cc(C(=O)NCC3(C(N)=O)CCOCC3)[nH]n2)cc1 52743899 MGFLWYQJEXODKX-UHFFFAOYSA-N 342.399 1.397 0 40 EDAB COc1ccc(OC)c2c1CN(c1ncnc3c1cnn3C)C[C@H]2O 22019996 YZRGISASXXDCQR-GFCCVEGCSA-N 341.371 1.434 0 40 EDAB CC[C@@H](C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)O 93971 IGRPGLBXMJHLPT-XCBNKYQSSA-N 329.403 1.469 0 40 EDAB CCOc1cc(C(=O)Nc2nnn(C)n2)cc(OCC)c1OCC 558124 AGRKJVDLSVJAQP-UHFFFAOYSA-N 335.364 1.659 0 40 EDAB CC(C)N1C(=O)C(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O 8750684 BDHJEAPRIACUJG-UHFFFAOYSA-N 338.747 1.810 0 40 EDAB O=C1CC[C@H](C(=O)Nc2ccc(I)cc2)N1 974496 PBUVJPSTVSUUIJ-SECBINFHSA-N 330.125 1.508 0 40 EDAB COC(=O)CNC(=O)Cn1ccc2cc(Br)ccc21 12324847 KLKULSGPVZANQA-UHFFFAOYSA-N 325.162 1.693 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CSc2nnnn2C(C)C)c1 1357629 RVKCVGGFRXIVJL-UHFFFAOYSA-N 334.405 1.943 0 40 EDAB CC(C)c1nc([C@@H]2CCCN2C(=O)C[C@@H]2CCS(=O)(=O)C2)no1 78881261 CTKSRVNIFHLZPS-RYUDHWBXSA-N 341.433 1.681 0 40 EDAB CCCc1n[nH]c([C@H]2CN(CC[S@@](=O)c3ccccc3)CCO2)n1 78893339 XUACJNPBVZAKEE-MYYSRTQBSA-N 348.472 1.938 0 40 EDAB O=C(CCn1ccc2c(Cl)cccc21)N[C@H]1CCS(=O)(=O)C1 79481011 YVRFDPMVLKASOQ-NSHDSACASA-N 340.832 1.988 0 40 EDAB Cc1ccc(S(=O)(=O)NCC(=O)NCCc2ccccc2)cc1 3061473 PJQWZWYKHWQVBC-UHFFFAOYSA-N 332.425 1.632 0 40 EDAB Cc1cccc(CSCC(=O)NCCCN2CCN(C)CC2)c1 61524489 BIUPQEOYEUGOJD-UHFFFAOYSA-N 335.517 1.982 0 40 EDAB CC(C)n1nc(CC(=O)Nc2cnn(C)c2)c2ccccc2c1=O 72400684 ZWPXCRJJXRXOJA-UHFFFAOYSA-N 325.372 1.892 0 40 EDAB CNC(=O)C1CCN(C(=O)COc2ccc(F)cc2Cl)CC1 23180734 QDOZDHCKUINRKP-UHFFFAOYSA-N 328.771 1.843 0 40 EDAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1 8757307 NUDFERHPNWWVBP-UHFFFAOYSA-N 339.373 1.160 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cnn(C)c2)cc1 8884179 BRWWFHHHBCJIRR-RUDMXATFSA-N 348.428 1.759 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)[C@@H](CC(C)C)NS(C)(=O)=O 47644016 UZIOYANOSJZYRA-CYBMUJFWSA-N 331.438 1.214 0 40 EDAB Cc1cc(N2CCN(C(=O)c3cnns3)CC2)nc(C(C)C)n1 47623958 FTMKKSPKIQKXNZ-UHFFFAOYSA-N 332.433 1.722 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H]1CCc2cc(Cl)ccc21 55738871 MPHFSLBHYJZCHT-CQSZACIVSA-N 347.802 1.761 0 40 EDAB Cc1cnc(C(=O)OCC(=O)NCC2(c3ccccc3)CC2)cn1 22741158 KTDKZWALLNYJNG-UHFFFAOYSA-N 325.368 1.790 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 56954875 PCYJCEQVYIEAOY-OAHLLOKOSA-N 349.435 1.394 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CCOC3(CCN(CC4CC4)CC3)C2)cn1 108527406 VCKVCSFVVDAELL-MRXNPFEDSA-N 332.448 1.574 0 40 EDAB C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)N1CCOCC1 58266359 TWICWJQSXVKXKU-QMTHXVAHSA-N 338.791 1.007 0 40 EDAB Cc1cc(NCCNC(=O)Cc2ccc(F)cc2)n2ncnc2n1 58281158 KNBLWPNGYVWGBC-UHFFFAOYSA-N 328.351 1.343 0 40 EDAB CCc1cc(=O)[nH]c(-c2cccc(N3C(=O)[C@H](C)NC3=S)c2)n1 55179283 ZUOAHSWUXRCYIG-VIFPVBQESA-N 328.397 1.609 0 40 EDAB C[C@@H](CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCCC1 58278108 QHAFWWMAXBFKRJ-ZDUSSCGKSA-N 344.390 1.586 0 40 EDAB C[C@H](NC(=O)c1ccc(N(C)C)nc1)c1ccc2[nH]c(=O)[nH]c2c1 58245888 ZQDMCIXIURFMPS-JTQLQIEISA-N 325.372 1.808 0 40 EDAB Cn1cc(S(=O)(=O)N[C@@H]2CCCCc3ccccc32)cc1C(N)=O 58265976 WTTXFTICBQXQIP-OAHLLOKOSA-N 347.440 1.870 0 40 EDAB CCCNC(=S)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 58298345 ZFKOYGPJCZMYLI-AWEZNQCLSA-N 326.487 1.960 0 40 EDAB C[C@@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)N(C)c1ccccc1 44941529 GOAWRXTWUMOITD-DZGCQCFKSA-N 339.461 1.052 0 40 EDAB CC1=C(C(N)=O)[C@@H](c2ccc(Cl)c(Cl)c2)n2nnnc2N1 28629092 ALBWPNRRLKNTGG-SNVBAGLBSA-N 325.159 1.754 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)NC[C@H](c1ccco1)N(CC)CC 58344071 GTAKQKPOAGFZCJ-ZIAGYGMSSA-N 344.477 1.992 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2CN2CCCC2)c1 58420986 ZYVWZBRAUCXXAY-HNNXBMFYSA-N 336.457 1.791 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 48290911 XVKUUWDJBOFRHQ-JYJNAYRXSA-N 336.436 1.641 0 40 EDAB CC(C)OCCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 21779815 OPANOHRLZRCANR-UHFFFAOYSA-N 328.434 1.482 0 40 EDAB Cc1ccc(C)c(OC(=O)Cn2cnc3c(cnn3C)c2=O)c1C 11469255 ZHFCRFMFKJAALX-UHFFFAOYSA-N 326.356 1.661 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(Cl)cc2)CC1 59897785 MASAGQPJVLLPKC-GFCCVEGCSA-N 342.848 1.423 0 40 EDAB Cc1cccc([C@H](CNc2ccc3nnnn3n2)N2CCOCC2)c1 29626699 WGTDSXIUBCKGEI-HNNXBMFYSA-N 339.403 1.313 0 40 EDAB CCCN(CC1CC1)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 12973936 GMEHFGFJACLTOG-UHFFFAOYSA-N 349.456 1.764 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)O)cc1 13028403 LHWUEWUYTCXHHH-AAEUAGOBSA-N 327.402 1.193 0 40 EDAB CNC(=O)NC(=O)CN(C)[C@@H](c1cccnc1)c1ccc(F)cc1F 69780183 JHCBWJCBQSYPPU-INIZCTEOSA-N 348.353 1.837 0 40 EDAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCOC1 49342111 LMSUVNNVFINHCL-LLVKDONJSA-N 341.205 1.300 0 40 EDAB CNC[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 71144384 ZGMYULAIWURRTJ-JTQLQIEISA-N 333.251 1.679 0 40 EDAB CC[C@@H](O)CCNS(=O)(=O)c1nc(C)c(Br)s1 93019660 CPIBFTPGFGPLSQ-SSDOTTSWSA-N 343.268 1.653 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 65467192 AWGACFZKMFKESA-KBPBESRZSA-N 330.432 1.414 0 40 EDAB CN1CCN(c2ccc(CNC(=O)Nc3nncs3)cn2)CC1 65433977 QXTHCHSPOGNTLY-UHFFFAOYSA-N 333.421 1.007 0 40 EDAB O=C(O)c1csc(S(=O)(=O)Nc2ccc(C(=O)O)cc2O)c1 65523784 NYVXBXXCQRFBDR-UHFFFAOYSA-N 343.338 1.651 0 40 EDAB O=C1CCC(C(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)=NN1 65565391 BRLGXDQODGRCMQ-AWEZNQCLSA-N 331.372 1.127 0 40 EDAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)no1 4512419 VIQACFAFVDHTDB-LBPRGKRZSA-N 343.339 1.518 0 40 EDAB Cc1ccccc1CCNC(=O)CN1CCN(C(=O)C2CC2)CC1 14242887 PLUDYWQKHDWFLO-UHFFFAOYSA-N 329.444 1.208 0 40 EDAB CC(C)Oc1ccc(CCC(=O)N2CCN(C[C@@H](C)O)CC2)cc1 71871344 FBOTWCNEQBOFIF-MRXNPFEDSA-N 334.460 1.931 0 40 EDAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(C)nn32)cc1 4731494 VSGPZGNFDZDFTM-LBPRGKRZSA-N 328.332 1.067 0 40 EDAB COc1cc(=O)c(C(=O)NCC2CC2)nn1-c1ccc(F)c(F)c1 67245747 JKBPOENMHCGODJ-UHFFFAOYSA-N 335.310 1.659 0 40 EDAB CN(c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1cccs1 15315342 QQYZDNZSGAEYNU-UHFFFAOYSA-N 326.399 1.437 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3c(C)nn(C)c3C)ccc21 7323672 ICTGFPGFOKLTQX-UHFFFAOYSA-N 348.428 1.747 0 40 EDAB CC(C)(CNC(=O)N1CCC[C@H]1c1cccs1)NS(C)(=O)=O 69150713 SVKBLJRUSIBBHZ-NSHDSACASA-N 345.490 1.922 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@H]2C2OCCO2)c1C 69292828 UGUIUOBDSXOKJW-LBPRGKRZSA-N 336.388 1.786 0 40 EDAB O=C(NCCN1CCCCCC1=O)[C@@H]1CCCN1C(=O)C1CCCC1 69379919 TVPHQEGXQCKWTQ-INIZCTEOSA-N 349.475 1.686 0 40 EDAB CN(C)C(C)(C)CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C 69415549 ZAYQSVRQDXFECS-UHFFFAOYSA-N 331.420 1.209 0 40 EDAB CS(=O)(=O)NCCC(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1 69436096 UDBMKPZHDCUWEN-UHFFFAOYSA-N 344.343 1.233 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCCC(=O)Nc1cn[nH]c1 69617717 CZBISXHWQKOBSS-BDJLRTHQSA-N 344.371 1.473 0 40 EDAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCS(C)(=O)=O 69619734 ZVGSCOQTDFNFHB-UHFFFAOYSA-N 341.433 1.756 0 40 EDAB Cc1nnc([C@@H](C)N2CCN(C[C@H](O)COc3ccccc3)CC2)o1 69770371 UXMNRCGTNZLEDG-ZBFHGGJFSA-N 346.431 1.497 0 40 EDAB CC[C@H](NC(=O)CNC(=O)COc1ccccc1)c1cnn(CC)c1 69847824 ISOAFLLIKLEYQN-INIZCTEOSA-N 344.415 1.666 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)Cc2noc3ccccc23)CC1 69929686 MJBAXCILQFRWHV-QGZVFWFLSA-N 345.443 1.922 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCC[C@@H](n2ccnc2CC)C1 69921366 SVOFEFAIZRTPGZ-CYBMUJFWSA-N 327.450 1.434 0 40 EDAB C[C@H](C(=O)NCCNc1cccc(Br)c1)n1cncn1 97048676 SNMVAMBTOKQEBR-SNVBAGLBSA-N 338.209 1.830 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)ccc1N(C)C 72287736 ZKPCYMJFZULLLD-INIZCTEOSA-N 332.448 1.456 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3C(=O)O2)no1 72299030 AYRXYQLGECVJCT-KGLIPLIRSA-N 327.340 1.823 0 40 EDAB CCc1nc(CN(C)[C@@H]2CCN(Cc3nc(C4CC4)no3)C2)no1 72300019 FWSJFOWRROIJLB-GFCCVEGCSA-N 332.408 1.599 0 40 EDAB O=C(NCCc1ccco1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95478279 RFKIMMHJYOUGRW-LBPRGKRZSA-N 338.367 1.868 0 40 EDAB NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc3c(F)cccc3s2)C1 75144432 YPPFVEGFSNMLOM-SECBINFHSA-N 342.417 1.934 0 40 EDAB CN(Cc1ccccc1)C(=O)CSCCN1C(=O)NC(C)(C)C1=O 89917049 YJNYTUKSTYKONY-UHFFFAOYSA-N 349.456 1.709 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C[C@@H]1N(C)C 89948469 YWSSMPOUMZNNIE-YPMHNXCESA-N 345.365 1.666 0 40 EDAB CN(CCCN1CCOCC1)CCN1CCN(c2ccccc2)CC1 75752844 CPTURNSGOVIUGX-UHFFFAOYSA-N 346.519 1.463 0 40 EDAB O=C(NCCOc1cccc(F)c1)N1CCN(Cc2ccon2)CC1 76085352 JWASNGFTPBMKDB-UHFFFAOYSA-N 348.378 1.720 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(Cc3ccco3)C[C@H]12)c1cccnc1 306136645 PZDFWOWOEHCDSO-USXIJHARSA-N 327.384 1.551 0 40 EDAB O=S1(=O)c2ccccc2O[C@@]2(CCNC2)CN1Cc1ccccn1 306126829 FGHUEOIYLODZRI-QGZVFWFLSA-N 345.424 1.397 0 40 EDAB Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)N(C)CCN(C)C 123829610 OICSAXJKCHUVHT-UHFFFAOYSA-N 334.825 1.529 0 40 EDAB O=C(NCC1CCN(c2ccncc2)CC1)C(=O)Nc1ccon1 70895636 YASPWTMYLHQQOM-UHFFFAOYSA-N 329.360 1.041 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(C)=O)c2)C1 78602819 RVHPUSYOLJJLPB-INIZCTEOSA-N 347.415 1.055 0 40 EDAB CNc1cccc(C[C@@H]2COCCN(C(=O)c3cccnc3)C2)n1 72388174 NHLGKLWZUHKPDF-AWEZNQCLSA-N 326.400 1.850 0 40 EDAB COC(=O)Cc1occc1C(=O)Nc1ccc(N2CCOCC2)nc1 225796324 YAAXIMKUJDJRBM-UHFFFAOYSA-N 345.355 1.479 0 40 EDAB Cc1nc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)c(C)s1 133730688 VJEQKMOGWFGOTI-UHFFFAOYSA-N 336.461 1.914 0 40 EDAB Cc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCC3)c2=O)c(C)c1 222660020 MAUZQINEIIXCKE-UHFFFAOYSA-N 343.383 1.437 0 40 EDAB Cc1ccc(CN2C[C@H]3CN(C(=O)CCC(=O)O)CCN3C2=O)cc1 85436117 YTCZKGWQRINAKD-OAHLLOKOSA-N 345.399 1.308 0 40 EDAB biogenic,in-vitro COc1ccc(CN2CC[C@@H]2CNC(=O)c2ccc(C(N)=O)[nH]2)cc1 529837438 VJVZLEMCTODXBK-CYBMUJFWSA-N 342.399 1.127 0 40 EDAB N[C@@H]1CCN(Cc2ccccc2OCCCCn2ccnc2)C[C@H]1O 82106589 VIEPMFVFOPSBOL-QZTJIDSGSA-N 344.459 1.636 0 40 EDAB O=C(c1c[nH]cn1)N1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 96250057 XJUGCUJFKQXMDZ-DJIMGWMZSA-N 342.399 1.641 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)C[C@H](OCC1CCOCC1)CO2 96106700 JVGRRTFJBDVEKX-INIZCTEOSA-N 340.464 1.141 0 40 EDAB CCOC[C@H]1C[C@]2(COCCN2C(=O)c2ccc(OC)cc2)CO1 96240732 SVSBMLVLVDJZDW-AEFFLSMTSA-N 335.400 1.732 0 40 EDAB O=C1CC[C@H](NC(=O)c2c[nH]c3ncccc23)[C@@H]([C@H]2CCCO2)N1 577432085 IUCWCEWTDJHNSS-GUTXKFCHSA-N 328.372 1.119 0 40 EDAB CO[C@@H]1CCN(S(=O)(=O)c2cccs2)[C@H]1Cc1cnn(C)c1 96069858 AMRLNPFAGNRHIP-QWHCGFSZSA-N 341.458 1.502 0 40 EDAB CN(Cc1cnccn1)C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 96426546 RWHYQCTVWVSSGJ-KRWDZBQOSA-N 344.390 1.648 0 40 EDAB Cc1cccc(C(=O)N2CCO[C@@H]3C[C@@H](C(=O)NC4CCC4)C[C@H]32)n1 96251683 WVTBQPOLDWPDFT-IAOVAPTHSA-N 343.427 1.678 0 40 EDAB CCn1nc(C)c2nnn(CC(=O)Nc3ccc(C)cc3)c(=O)c21 96182364 MFCVTYHZPHGZRY-UHFFFAOYSA-N 326.360 1.263 0 40 EDAB Cn1ncc2c1CN(C(=O)Cc1ccccn1)C[C@@H]2COCC1CC1 96044653 UCGKZCPEZFWKDY-OAHLLOKOSA-N 340.427 1.910 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cc(C)nc3c1c(C)nn3C)C2 97198052 NVMRSEGAZMBIQJ-ZDUSSCGKSA-N 338.415 1.835 0 40 EDAB O=C(O)c1c(NCC2CC2)ncc2c1CCN(c1ncccn1)C2 96189235 YGMYZTZHNMQCDY-UHFFFAOYSA-N 325.372 1.954 0 40 EDAB COCC(=O)N1CC[C@@]2(COCc3c(C)nc(NCC4CC4)nc32)C1 96244547 RCIZPMWFWFCXLT-SFHVURJKSA-N 346.431 1.254 0 40 EDAB CCc1cnc(N2CC[C@]3(C[C@H](Oc4ncccn4)CO3)C2)nc1 96072550 JFYVSGIACZAJDP-YOEHRIQHSA-N 327.388 1.646 0 40 EDAB CN(C)C(=O)Cn1cc(C(=O)OC[C@@H]2CCCc3ccccc32)nn1 96404092 KAILLYOMCGJRED-AWEZNQCLSA-N 342.399 1.643 0 40 EDAB O=C(COCc1cncc2c1CCN([C@@H]1CCOC1)C2)N1CCCC1 247756074 ZIYBSUAPENPXTF-QGZVFWFLSA-N 345.443 1.368 0 40 EDAB CCn1cc(CCN2C[C@H](OC)C[C@H]2c2nnc3cnccn23)cn1 583621300 MKORQWZHVASIHF-CABCVRRESA-N 341.419 1.345 0 40 EDAB Cn1cc(CN2CC3(C[C@@H](OCC4CCOCC4)CCO3)C2)cn1 248117819 JDNMGJXODQIOMI-KRWDZBQOSA-N 335.448 1.597 0 40 EDAB O=C(CCn1nnc2ccccc21)N1CCO[C@@H](c2ccncc2)C1 257218917 DEVKJGAIZLTYNW-QGZVFWFLSA-N 337.383 1.817 0 40 EDAB CCCOc1ccc(OCC(=O)NCc2cc(=O)c(O)cn2C)cc1 584907716 PAAXESJFVXNSKC-UHFFFAOYSA-N 346.383 1.575 0 40 EDAB CC(C)n1cnc(C(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)c1 252523208 CBIZKPODYHJJHY-OMDFLGLYSA-N 327.428 1.703 0 40 EDAB COC(=O)Cc1csc(N(C(=O)[C@@H](C)OC)N2CCCCC2)n1 585125272 MFNHKQCGIQDTRT-LLVKDONJSA-N 341.433 1.627 0 40 EDAB CN(C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1)C1CCCC1 585139416 XIOWOKWWMYPTTL-HNNXBMFYSA-N 333.436 1.609 0 40 EDAB CC(=O)N(C)CC(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 585112918 JBRKOHKHNYNVBZ-OLZOCXBDSA-N 339.436 1.417 0 40 EDAB CCS(=O)(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 253491009 KVVHJNISGSUSTK-YRGRVCCFSA-N 346.474 1.489 0 40 EDAB Cc1nccc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCO2)n1 257238632 HLWACUFUQCHIHE-OAHLLOKOSA-N 337.376 1.686 0 40 EDAB Cc1cccc(N2CCC[C@H](NC(=O)c3ccc(=O)n(C)c3)C2)n1 257345012 ZZONXRLONVPMCT-HNNXBMFYSA-N 326.400 1.488 0 40 EDAB Cc1cc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)no1 257230198 GBGVVEBANNHNAQ-AWEZNQCLSA-N 329.347 1.291 0 40 EDAB Cc1ncoc1C(=O)N1CCOC[C@H](Cc2cn3ccnc3cn2)C1 257256583 KMCKNBPDTAOUIW-CYBMUJFWSA-N 341.371 1.357 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)c2cscn2)C1 257308691 TXSPHUUEYIROLE-SECBINFHSA-N 340.430 1.290 0 40 EDAB O=C(CC1CCOCC1)NC[C@@]1(O)CCCN(c2ccccn2)C1 257245799 IRDFQCPOFLXKHS-SFHVURJKSA-N 333.432 1.346 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cc[nH]n3)CC2)C[C@H](O)C1(C)C 257334126 YEQQFKGWFNYVKE-AWEZNQCLSA-N 334.420 1.024 0 40 EDAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)Cc1ccccc1 260793432 PLMICFVFLCTJPN-HRCADAONSA-N 336.457 1.753 0 40 EDAB C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCO1 273096205 DHBQRDUROALSLO-BZUAXINKSA-N 347.463 1.950 0 40 EDAB C[C@@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 278230009 TWWOFIQBYYQWGS-SNVBAGLBSA-N 345.396 1.329 0 40 EDAB COc1cccc(CCC(=O)N2CCCN(S(C)(=O)=O)CC2)c1 24780023 REAABGZBLBDWCG-UHFFFAOYSA-N 340.445 1.122 0 40 EDAB CN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NCC1CCC1 1615046022 RINCGLBNRAHKQB-UHFFFAOYSA-N 346.474 1.552 0 40 EDAB CCOCC(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2cccs2)C1 575403612 IMCCABQDPWZRCB-CQSZACIVSA-N 348.428 1.181 0 40 EDAB CCCc1nnc(NC(=S)N[C@@]2(C)CCS(=O)(=O)C2)s1 575425399 YVHTWWWHFHRQCM-NSHDSACASA-N 334.492 1.354 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)Cc2ccnn21 585112521 QTBWBVWHALYUNU-QGZVFWFLSA-N 348.472 1.688 0 40 EDAB Cn1cnc2c1[C@@H](C(=O)N1CCC1)CN(Cc1ccc(F)cc1)C2 585110862 RDBASHXRFXIZKB-HNNXBMFYSA-N 328.391 1.891 0 40 EDAB O=C(C1CC(F)C1)N1C[C@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 585107859 WAANGLUKVBYWBF-LMPOIIKSSA-N 331.391 1.637 0 40 EDAB CC(C)C(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@@H]1C 585096441 NTKWZMIYXKHHOL-ZDUSSCGKSA-N 341.415 1.767 0 40 EDAB C[C@H](CO)N(C)S(=O)(=O)c1cc(Cl)c(F)c(C(=O)O)c1 585141253 RVBUMXXFWLMQLI-ZCFIWIBFSA-N 325.745 1.179 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)c2nonc2C)[C@H]1Cc1ccccc1 585276921 KOFOXFALUMUMOY-HOTGVXAUSA-N 342.399 1.730 0 40 EDAB O=C(NS(=O)(=O)C1(Cl)CC1)c1ccc(N2CCNC2=O)cc1 585135997 LOZQZGRCKKKKID-UHFFFAOYSA-N 343.792 1.005 0 40 EDAB CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 65594283 KRBIJJPDGRWNSY-HZPDHXFCSA-N 345.443 1.686 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 29189603 LZGQKAHFLUUOGD-NSHDSACASA-N 346.836 1.502 0 40 EDAB CN1CCN(c2ccc(CNC(=O)Nc3ccccn3)cn2)CC1 48345060 NUBZOMFVTDPCFX-UHFFFAOYSA-N 326.404 1.550 0 40 EDAB COc1ccc(Br)c(C(=O)N[C@H]2CCCNC2=O)c1 49497936 IIJFZFVOTCMDHA-NSHDSACASA-N 327.178 1.466 0 40 EDAB Cc1nc(C)c(CNC(=O)N2CCC[C@H]2CN2CCOCC2)s1 74664018 GKMXMNSEHFDFBQ-AWEZNQCLSA-N 338.477 1.766 0 40 EDAB COc1ccc(CCC2CCN(C(=O)Cn3cn[nH]c3=O)CC2)cc1 97102829 DSCQSIDRUSRRKO-UHFFFAOYSA-N 344.415 1.451 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(C[C@@H](O)c3ccc(F)cc3)C2=O)cn1 101379876 IMQTWEMFBJCHBC-UKRRQHHQSA-N 331.347 1.210 0 40 EDAB CC(C)N1C(=O)N[C@@H]2CN(Cc3cc(O)nc(C4CC4)n3)CC[C@@H]21 570905279 MZZOLIJNXFTQEK-KGLIPLIRSA-N 331.420 1.436 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)NCCN(C)C 7612684 CFXXVYKLHUURBO-UHFFFAOYSA-N 337.239 1.298 0 40 EDAB CN1C[C@@H](C(=O)NCCn2cccn2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595936 UEVZSLFNVGBLPR-VYDXJSESSA-N 344.390 1.450 0 40 EDAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)cc(=O)n(C)c1=O 5423893 ZSLMVIALHIUOQE-UHFFFAOYSA-N 339.804 1.468 0 40 EDAB O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1ccncc1 12326018 MIJKAEFBPMPUSA-UHFFFAOYSA-N 343.402 1.934 0 40 EDAB Cc1ccc(N([C@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)cc1C 13674395 JWWFSPCRTRRXKH-CQSZACIVSA-N 341.477 1.136 0 40 EDAB O=C([C@H]1CCCNC1)N1CCC(O)(Cn2ccc3ccncc32)CC1 19404711 XBIATYIXNZTFJI-INIZCTEOSA-N 342.443 1.389 0 40 EDAB CCOc1ccc(N2C(=O)C[C@H](NCCN3CCCCC3)C2=O)cc1 19533489 DGOSZDQUCOHLRM-KRWDZBQOSA-N 345.443 1.793 0 40 EDAB Cc1nnsc1C(=O)N1CCC[C@@H](S(=O)(=O)CC(C)C)C1 585146942 XGEINESKGWIDEF-LLVKDONJSA-N 331.463 1.522 0 40 EDAB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC(C)(C)C 3433680 CSHNYQUFMSWZCN-JTQLQIEISA-N 340.807 1.916 0 40 EDAB COc1nn(C)cc1C(=O)NCc1cc(-c2cccnc2)nn1C 238822842 DBDFDIGKJZLYTL-UHFFFAOYSA-N 326.360 1.154 0 40 EDAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC(N2C(=O)COC2=O)C1 245093467 ROUJQRIMLUUKDH-UHFFFAOYSA-N 344.302 1.019 0 40 EDAB COCC(=O)N1CCC2(CC1)CC(=O)NCCc1ccccc1N2 2037985320 FNYPMQLWXURKEY-UHFFFAOYSA-N 331.416 1.169 0 40 EDAB Cc1noc([C@H]2CCC3(CCN(C(=O)c4csnn4)CC3)O2)n1 1614940807 VUVWFDDPLWDFAH-LLVKDONJSA-N 335.389 1.756 0 40 EDAB O=C(C1CC(F)(F)C1)N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 1565545069 CYYWCMDKJDFMAP-UHFFFAOYSA-N 348.415 1.495 0 40 EDAB CC1CC(C(=O)N2CCc3c(COCC(=O)N(C)C)cncc3C2)C1 1565553422 YJOCSFMFDCDVGL-UHFFFAOYSA-N 345.443 1.617 0 40 EDAB O=S(=O)(Cc1nnnn1-c1ccc(F)cc1)c1ccc(F)cc1 9304061 CBLPKIKBHZLSBX-UHFFFAOYSA-N 336.323 1.914 0 40 EDAB CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C)N1c1cccnc1 10274596 APEUGJCIICBTEJ-UHFFFAOYSA-N 326.381 1.537 0 40 EDAB COc1nc(CNC(=O)/C=C/c2ccccc2)nc(N2CCCC2)n1 575608420 UHKIJHDZQBGTTA-MDZDMXLPSA-N 339.399 1.810 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@@H](n3ccnn3)C2)cc1F 585321464 TXTUVOWFUBSOFU-SNVBAGLBSA-N 326.353 1.062 0 40 EDAB N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 3881761 QVOWRQXALDMGET-IKGGRYGDSA-N 337.423 1.364 0 40 EDAB biogenic Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c(=O)[nH]1 10458693 MBILZLKMBIWRHT-ZDUSSCGKSA-N 331.416 1.399 0 40 EDAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cnc(C)cn2)cc1 30536351 FPXIRUAAILVWNY-GOSISDBHSA-N 340.427 1.897 0 40 EDAB COCCCNC(=O)CN(C)C(=O)c1ccc(Br)s1 40220573 PBTYOPFBPHNYRI-UHFFFAOYSA-N 349.250 1.735 0 40 EDAB Cc1nc(C)c(CC(=O)NCc2ccc3c(c2)OCCO3)c(=O)[nH]1 31203879 LRSBPBOXSVZYCX-UHFFFAOYSA-N 329.356 1.017 0 40 EDAB CCOC(=O)C1CCN(CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 40468811 AVGXYPLDDQDNAC-UHFFFAOYSA-N 331.372 1.314 0 40 EDAB COc1ccc(OC)c(CN(C(=O)c2ccc(=O)[nH]n2)C2CC2)c1 40498949 AHOANNLVJIOHGQ-UHFFFAOYSA-N 329.356 1.592 0 40 EDAB Nc1nccnc1C(=O)NCc1ccccc1CN1CCCC1=O 40497943 USGWKXQIBUDYLC-UHFFFAOYSA-N 325.372 1.111 0 40 EDAB Cc1ccc(-n2cc(C(=O)Nc3ccc(-n4cncn4)nc3)nn2)cc1 31752905 OGEPPNIYAZMRHG-UHFFFAOYSA-N 346.354 1.804 0 40 EDAB CC(=O)N1CCc2cc(C(=O)NCCCCN3CCOCC3)ccc21 40541030 RIGOSCFKXLHCMC-UHFFFAOYSA-N 345.443 1.438 0 40 EDAB COCC(=O)N1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 40540695 NYEVQSKHGOKIPS-UHFFFAOYSA-N 333.363 1.771 0 40 EDAB Cc1ccc(-c2nnc(CCC(=O)N[C@H]3CCCCNC3=O)o2)cc1 40521669 BGSGUVDGJZIYEH-AWEZNQCLSA-N 342.399 1.763 0 40 EDAB Cc1ccn2cc(C(=O)N3CCC(CN4CCOCC4)CC3)nc2c1 40539534 LIXVPIFOQHQTCZ-UHFFFAOYSA-N 342.443 1.827 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(C[C@H](O)c3ccc(F)cc3F)C2=O)cn1 101379846 XTXYOEWFRNLGRL-NHYWBVRUSA-N 349.337 1.350 0 40 EDAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccccn1 20720134 QFVZNRDAPQTHIG-SMDDNHRTSA-N 327.340 1.365 0 40 EDAB CCNC(=O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 32760745 LAGDTZMMNYLIOU-UHFFFAOYSA-N 344.242 1.887 0 40 EDAB CCOc1ccc(CN2CCN(C(=O)c3cnn(C)c3)CC2)cc1 21476318 ZJOGJQQXFFIPKT-UHFFFAOYSA-N 328.416 1.777 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN(C)C(=S)N[C@H]1C[C@H]2CC[C@H]1C2 102364611 VMLYVSMVWZBGLR-AVGNSLFASA-N 335.477 1.960 0 40 EDAB COc1cc(C)c(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 32912511 LAIKUFJRNYJNDF-CMPLNLGQSA-N 325.386 1.162 0 40 EDAB CNC(=O)NC(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3 32957460 HMTHNASWGJQSGQ-UHFFFAOYSA-N 330.340 1.463 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 33209524 FJIALCNKCIJHKL-LRDDRELGSA-N 340.383 1.447 0 40 EDAB COc1ccc([C@H](CNC(=O)N[C@H](C)Cn2ccnc2)N(C)C)cc1 61043235 PARARYBIACJMDT-PBHICJAKSA-N 345.447 1.882 0 40 EDAB C[C@H]1CCCCN1CCCCNC(=O)c1cccc(OCC(N)=O)c1 46988573 WQSJVRQEINGANO-HNNXBMFYSA-N 347.459 1.935 0 40 EDAB CCn1cc(C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)cn1 2805040 DFTALYFJPUGGBI-UHFFFAOYSA-N 342.359 1.412 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@H](n2cncn2)C1 72234713 OXMJSTCCWSKUHG-AWEZNQCLSA-N 328.372 1.456 0 40 EDAB Cc1ccc(N2CC[C@H](NC(=O)c3ccn(C)c(=O)c3)C2=O)cc1 72295483 WVALDGBFVFJHTF-HNNXBMFYSA-N 325.368 1.229 0 40 EDAB O=C(Cc1ccc(-n2cccn2)cc1)N1CC[C@@](O)(C(F)(F)F)C1 77990471 RXYAJEWMVPLWCZ-HNNXBMFYSA-N 339.317 1.941 0 40 EDAB CNS(=O)(=O)c1ccc(NC(=O)COC2CCCCC2)cc1 78891781 QKMDOCZTRIXQTJ-UHFFFAOYSA-N 326.418 1.883 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)COc2cccc(C(N)=O)c2)no1 72299242 GULHKSPIUPWVQT-CYBMUJFWSA-N 344.371 1.473 0 40 EDAB COCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 22845355 QVQUNRQQWNUYHD-WQLSENKSSA-N 338.360 1.625 0 40 EDAB COc1cccc(N2C[C@H](C(=O)N[C@H](C)Cn3ccnc3)CC2=O)c1 42535047 UGGWHZCJMQUADG-ZIAGYGMSSA-N 342.399 1.450 0 40 EDAB CN(C)[C@H]1CCCN(C(=O)NCc2cccnc2N2CCOCC2)C1 105118580 YKZRHSREYAPBLP-INIZCTEOSA-N 347.463 1.154 0 40 EDAB CCOc1ccc([C@H](C)NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 102354042 ANTCXSHKLKSCLR-QZXGQWDYSA-N 331.368 1.917 0 40 EDAB O=C(NC[C@H](O)COc1cccc(F)c1)NC1CCC(O)CC1 42961881 CSTNZQDZBZPBFR-RUXDESIVSA-N 326.368 1.168 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 72288309 AXSPZJFSUFMYMR-NSHDSACASA-N 326.299 1.526 0 40 EDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@@H](C2)N3Cc2ccncc2)n1 100737741 RFJDIECPEZUYQB-IRXDYDNUSA-N 340.427 1.505 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)Cc2ccc3c(c2)CCCC3)n1 25032827 DDYLABIMSBAPMS-UHFFFAOYSA-N 341.415 1.685 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)N1CCC[C@H]2CCCC[C@H]21 106667251 GWGQMLHFNOSIOW-BRWVUGGUSA-N 331.464 1.924 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)c3cnccn3)CC2)cc1F 55559215 SWDPXONVYCNVTI-UHFFFAOYSA-N 328.347 1.522 0 40 EDAB O=C(NCc1ccnc(N2CCCCCC2)c1)c1ccc(=O)[nH]n1 107276109 MDUFPKJYKGDMRK-UHFFFAOYSA-N 327.388 1.475 0 40 EDAB OCCN(Cc1ccccc1)C[C@@H](O)COc1ccc2c(c1)OCO2 3253283 MXAXMCSGPCUWBF-MRXNPFEDSA-N 345.395 1.650 0 40 EDAB O=C(Cn1cnnn1)N(Cc1ccc2c(c1)OCO2)c1ccccc1 35496786 PXEIKPJIBLRHIT-UHFFFAOYSA-N 337.339 1.635 0 40 EDAB CN(C)C(=O)c1ccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1 27224764 WNPNKIIBAAEUQE-UHFFFAOYSA-N 336.355 1.821 0 40 EDAB Cn1cc(CN2CCO[C@H]3CC[C@H]2[C@H]3Oc2ncccc2F)cn1 107721892 UYKLJAGYVLMMDX-HRCADAONSA-N 332.379 1.765 0 40 EDAB CC(=O)N[C@H](CC(=O)N[C@H]1CCc2nccn2C1)c1cccs1 97197963 QWYONLKQHOBGTK-QWHCGFSZSA-N 332.429 1.643 0 40 EDAB O=C(NC[C@@H]1CCCO1)NC[C@@H](c1cccs1)N1CCOCC1 48234376 PXLRHHIFJMHGEZ-KBPBESRZSA-N 339.461 1.600 0 40 EDAB CCOc1ccccc1OCC(=O)NC[C@H]1CCS(=O)(=O)C1 44718085 KNUOQPUFQDVDSX-GFCCVEGCSA-N 327.402 1.015 0 40 EDAB CCOc1c(Cl)cc(C(=O)N[C@@H]2CC(=O)N(C)C2)cc1OC 58162389 ZCNFQIZSRHLDOV-SNVBAGLBSA-N 326.780 1.708 0 40 EDAB CC(C)c1ccccc1OC[C@@H](O)CN1C(=O)[C@@H]2CCCN2C1=O 44891880 AVBMGQHVTOESNW-ZFWWWQNUSA-N 332.400 1.976 0 40 EDAB CC(=O)NCCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 24896310 IXFBBDOUHKVICK-UHFFFAOYSA-N 326.356 1.799 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCOCC2(C)C)c(Cl)c1 58282898 LRRCZKACLDHYIF-UHFFFAOYSA-N 347.820 1.926 0 40 EDAB COC(=O)C1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C)CC1 55950377 GIRQHYOXHXJWLO-UHFFFAOYSA-N 341.429 1.886 0 40 EDAB CC(C)c1nc(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)n[nH]1 72302849 KUZXTOPJFDQXKD-JTQLQIEISA-N 326.364 1.781 0 40 EDAB COc1cc(NC(=O)COc2c(C)n(C)ccc2=O)cc(OC)c1 44903207 CRRJXMGIFHDEQW-UHFFFAOYSA-N 332.356 1.728 0 40 EDAB CC(C)(C)c1nc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)no1 44977499 SXUPPOIOKYHVFT-NSHDSACASA-N 330.454 1.128 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H]1CCS(=O)(=O)C1 44907980 FAGFSYYRGPGIQE-CQSZACIVSA-N 341.477 1.249 0 40 EDAB CS(=O)(=O)c1ccc(O)c(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100759628 PLGDJFUIASMHQM-LBLXLQPISA-N 333.365 1.107 0 40 EDAB C[C@@H]1CN(CCNC(=O)NCCc2ccc3c(c2)OCO3)C[C@@H](C)O1 44952018 NCEGIECPHGGEMG-ZIAGYGMSSA-N 349.431 1.366 0 40 EDAB CC(C)OC(=O)CCNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102855042 FVWARCGWHNSKOI-UHFFFAOYSA-N 349.412 1.294 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)NCc2nnc3n2CCCC3)c1 58357285 UYVUXSFVYCQEMF-CYBMUJFWSA-N 342.399 1.901 0 40 EDAB Cc1ccc([C@@H](CNC(=O)[C@@H](C)S(=O)(=O)C(C)C)N(C)C)cc1 58379948 ACJXCDKCGPSURS-GDBMZVCRSA-N 340.489 1.926 0 40 EDAB C[C@H](CNC(=O)Cn1ncc(=O)c2ccccc21)CN1CCCC1 58377630 AYJRMTVKUJRRPJ-CQSZACIVSA-N 328.416 1.245 0 40 EDAB CSc1cccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)c1 10508184 PKFWYNQBKKCXCW-UHFFFAOYSA-N 347.425 1.851 0 40 EDAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 28207331 GZZTWHYXRCTBKO-UHFFFAOYSA-N 328.434 1.478 0 40 EDAB COc1ccc(CCNC(=O)[C@H](C)N2CCn3ccnc3C2)cc1 97201399 MLWFMVPLULHYDN-AWEZNQCLSA-N 328.416 1.455 0 40 EDAB NC(=O)C1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 28851909 GOTDKCLJJNBQKC-QGZVFWFLSA-N 329.444 1.768 0 40 EDAB O=C(CN1CCSC1=O)N1CCC[C@@H](c2nnc3ccccn23)C1 48302894 UMIAIPXMXBCEFF-GFCCVEGCSA-N 345.428 1.604 0 40 EDAB O=C(c1cn(Cc2ccccc2)nn1)N1CCN(c2ccccn2)CC1 48342914 BGZIPIQHDVRRHR-UHFFFAOYSA-N 348.410 1.684 0 40 EDAB O=C(NCc1cccnc1-n1cccn1)N(C[C@H]1CCOC1)C1CC1 46080783 UNGXBMCKBJAVRO-CQSZACIVSA-N 341.415 1.978 0 40 EDAB CC1(C)NC(=O)N(CCC(=O)NCCc2c[nH]c3ccccc23)C1=O 12873427 MMKPPVUQYCZPQZ-UHFFFAOYSA-N 342.399 1.547 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 2651363 HLSHWFNTOBPNPK-UHFFFAOYSA-N 338.410 1.997 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)NCc1cnn(-c2ccccc2)c1 12910241 CUDFNMAIWTXBCG-UHFFFAOYSA-N 331.401 1.691 0 40 EDAB Nc1cc(N)nc(SCC(=O)N[C@@H]2CCCc3ccccc32)n1 3605650 CWTUERUJFUMQQO-GFCCVEGCSA-N 329.429 1.927 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCOc2ccccc21 48763260 YKYWUMXLJXKJNJ-ZDUSSCGKSA-N 340.335 1.994 0 40 EDAB Cc1ccc(OC[C@@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1 69932841 OUSJKZSKVOQQIK-KGLIPLIRSA-N 342.461 1.837 0 40 EDAB O[C@H](Cn1cnc2c(N3CCOCC3)ncnc21)c1ccccc1 92857461 HDLHGKBYZACGBA-CQSZACIVSA-N 325.372 1.397 0 40 EDAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)ccc2N1 13197051 UEPUSUKVTWEWQN-LLVKDONJSA-N 338.385 1.057 0 40 EDAB CC1CCN(C(=O)[C@H](C)OC(=O)c2ccccc2NCCO)CC1 9162772 KRKPNKHMXBMTOZ-AWEZNQCLSA-N 334.416 1.895 0 40 EDAB Cn1ncc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1-n1cccc1 71329026 BHBPQMDWSXJADC-KDOFPFPSSA-N 328.416 1.978 0 40 EDAB Cn1cnc([C@@H]2CN(C(=O)C3CC3)C[C@@]23CCN(CC2CC2)C3=O)c1 306125173 CIGFWYXCZSOHFA-KXBFYZLASA-N 342.443 1.385 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CN[C@H](C)C(=O)NC1CCCC1 65531276 IALKVXACZWUQBO-CQSZACIVSA-N 349.479 1.102 0 40 EDAB O=C(CCc1ccncc1)N1CC(S(=O)(=O)Nc2ccccc2)C1 96005416 DTMRHPMQFTXINK-UHFFFAOYSA-N 345.424 1.667 0 40 EDAB O=C(C[C@@H]1NCCN(CCO)C1=O)Nc1cc(Cl)cc(Cl)c1 6662387 KUQBVIPYKOKSAH-LBPRGKRZSA-N 346.214 1.115 0 40 EDAB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 20150394 NLZNOCHSXSJILW-LKQDWFRTSA-N 334.372 1.257 0 40 EDAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCO[C@@H](C)C2)cc1 9337161 FLOZTIZWOPWLEX-NSHDSACASA-N 348.428 1.864 0 40 EDAB CC(C)N1CCOC[C@]2(CC[C@@H](CNC(=O)c3cscn3)O2)C1 306123203 AHFQDTAWPLHKRF-BBRMVZONSA-N 339.461 1.531 0 40 EDAB CCN(C(C)=O)c1nc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cs1 67029438 UWICVVCFBTZYJJ-LLVKDONJSA-N 338.389 1.317 0 40 EDAB O=S(=O)(CC1CCOCC1)N1CCN(c2cccc(O)c2)CC1 95402850 UZAGRAOKGFVWRC-UHFFFAOYSA-N 340.445 1.271 0 40 EDAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc[nH]c(=O)c1 95449712 HWLHWWGDADYYDU-ZDUSSCGKSA-N 349.749 1.703 0 40 EDAB Cc1cc(CNC(=O)COc2ccc(N3CCCC3=O)cc2)no1 67498762 HPRKYXQSKNQKCH-UHFFFAOYSA-N 329.356 1.805 0 40 EDAB C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 67838822 VEWOQOIDTRTFKW-NUOQBOJZSA-N 328.478 1.645 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)CSc2nnc(N)s2)c1 7535132 OSJBBTANUZUUDM-UHFFFAOYSA-N 338.414 1.946 0 40 EDAB O=C1COC[C@H]([C@H](O)c2ccc(NC(=O)C3CCCCC3)cc2)N1 67896869 YXQFGCYJQQDHLY-NVXWUHKLSA-N 332.400 1.754 0 40 EDAB biogenic,in-vitro Cc1c(CNC2CCN(S(=O)(=O)CC(C)C)CC2)cnn1C 96494784 SXUBOMRGNJUJLH-UHFFFAOYSA-N 328.482 1.268 0 40 EDAB O=C1O[C@@H](CC(=O)N2CCN(c3ncccn3)CC2)c2ccccc21 7977265 POUZOXJWKQVNCE-HNNXBMFYSA-N 338.367 1.427 0 40 EDAB CNC(=O)C1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 69039168 YYLSERDUZJBHPN-UHFFFAOYSA-N 348.428 1.019 0 40 EDAB CCCNC(=O)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 8274747 LYJCFFUJDYYHKD-CQSZACIVSA-N 347.415 1.831 0 40 EDAB CC(=O)N1CCCC[C@@H]1CC(=O)N1CCC[C@@H]1Cn1cc(C)cn1 70015100 KMIIPNVSZYURJN-IAGOWNOFSA-N 332.448 1.974 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2cccc(Cl)c2)no1 69373384 PABGIIVEWUKHQB-NSHDSACASA-N 340.788 1.912 0 40 EDAB CC1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccn(C)c(=O)c2)CC1 69451992 LUYXHLAVMARFRL-MRXNPFEDSA-N 345.443 1.639 0 40 EDAB CCOc1nnc(CN2CCCN(C(=O)c3ccncc3)CC2)s1 71828143 QDPOPDZNEKTNBV-UHFFFAOYSA-N 347.444 1.680 0 40 EDAB C[C@@H]1CN(Cc2cccc(CNc3ccc4nnnn4n3)c2)CCO1 71827970 PZVPZAKXDKSPCR-CYBMUJFWSA-N 339.403 1.352 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(-c2noc(=O)[nH]2)cc1 69527933 XHRXWCSEKHXHCA-UHFFFAOYSA-N 341.371 1.952 0 40 EDAB CN1CCN(C[C@@H](O)CN(C)C(=O)Nc2cccc(Cl)c2)CC1 69665266 PSEOZERRANGFQU-HNNXBMFYSA-N 340.855 1.412 0 40 EDAB CCO[C@@H]1CCCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1 71827129 UANNZJBTRGHGQG-CYBMUJFWSA-N 345.399 1.107 0 40 EDAB COCCN1CCN([C@H](C)C(=O)NCc2ccccc2Cl)CC1 69893849 KUHBCRFZJSSOMV-CQSZACIVSA-N 339.867 1.609 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 69969518 QVVRWKNGDNPCLF-MJGOQNOKSA-N 346.471 1.648 0 40 EDAB O=C(NCc1ccncc1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95475065 NWUBDZDYEZXOJD-CYBMUJFWSA-N 335.367 1.627 0 40 EDAB CNC(=S)NNc1nc(=Nc2ccccc2)nc(N2CCCC2)[nH]1 408724596 FXKUMSPXHAGADU-UHFFFAOYSA-N 344.448 1.058 0 40 EDAB Cn1cc(S(=O)(=O)NCc2nccn2Cc2ccccc2)cn1 97033700 YKBFCFSSXQEIHA-UHFFFAOYSA-N 331.401 1.143 0 40 EDAB Cc1cccc(NC(=O)[C@H](C)N2CCC(C(=O)NCCCO)CC2)c1 72273018 LBJIFTRNTVOFNP-HNNXBMFYSA-N 347.459 1.533 0 40 EDAB CN1CC[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CC1=O 95954282 HZTFNRNXUXIZKC-QGZVFWFLSA-N 345.443 1.003 0 40 EDAB C[C@H]1CCN(c2ccc(C(N)=O)nn2)CCN1Cc1ccccc1 75055701 CTZOUEUEQLXCDC-AWEZNQCLSA-N 325.416 1.676 0 40 EDAB CCOCCN1CCN([C@H](C)C(=O)NCC2CCCCC2)CC1 75129482 MTNYIBPBMJYUSG-MRXNPFEDSA-N 325.497 1.726 0 40 EDAB CCn1nc(C)cc1C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 75139610 BDMQQANIGYEYRW-LBPRGKRZSA-N 325.376 1.678 0 40 EDAB Cc1noc(-c2ccnc(N3CCC[C@H](CN4CCOCC4)C3)c2)n1 89721321 UCAAWRDADSKFDR-OAHLLOKOSA-N 343.431 1.989 0 40 EDAB Cc1ncc(CNC(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)s1 89730106 XZFTZNKOPWRTBA-HNNXBMFYSA-N 335.433 1.642 0 40 EDAB O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@H]1CCCN1c1ncccn1 89884834 KJRYIBIYURZYTP-CABCVRRESA-N 346.818 1.949 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccc(N3CCNC3=O)cc2)C[C@H](C)O1 89936678 GRYFQJOSBQHVQE-KBPBESRZSA-N 346.431 1.055 0 40 EDAB C[C@H](CC(=O)NS(=O)(=O)N(C)Cc1ccccc1)n1cccc1 76016897 FIJKCUHMGQANSY-CQSZACIVSA-N 335.429 1.932 0 40 EDAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)NC(C)(C)C)O2 64988421 GVYBGNAQDOTUKK-AWEZNQCLSA-N 340.445 1.827 0 40 EDAB c1c(CC2(NCC3CCCCC3)COC2)noc1CN1CCOCC1 67898379 NIASXUWKTSLCHC-UHFFFAOYSA-N 349.475 1.988 0 40 EDAB biogenic,in-vitro O=C(Nc1ccsc1C(=O)N1CCSCC1)c1cnccn1 67335773 FXBAHRKRCYLJMH-UHFFFAOYSA-N 334.426 1.979 0 40 EDAB Cc1ccc(NC(=O)C(=O)NCCN(C)C)c(Br)c1 73743157 PQLLAGZNNFBAST-UHFFFAOYSA-N 328.210 1.374 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 35374938 SYGXLYNHYVYFFQ-AONVYAMJSA-N 341.411 1.535 0 40 EDAB CC[C@@H](NC(=O)N1CCO[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 78447472 IIRWKDJHZZEHJR-BXUZGUMPSA-N 341.433 1.215 0 40 EDAB NS(=O)(=O)c1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1 71906206 DLQBYIHKGFWJBO-UHFFFAOYSA-N 349.431 1.795 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)Cc2noc(CCC(=O)O)n2)cc1 78400964 YWRPNVWVYBUHQH-UHFFFAOYSA-N 339.373 1.216 0 40 EDAB Cc1cccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)c1 224202226 SDTKPJTYXTVSAC-UHFFFAOYSA-N 332.429 1.864 0 40 EDAB COc1ccc(CCNC(=O)[C@H](c2ccccc2)n2cnnn2)cc1 223810663 HGLHJUVXIDSQKH-KRWDZBQOSA-N 337.383 1.630 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCOC(C)(C)C1)n1nnc2ccccc2c1=O 80359089 LIFJOVNDVNGNBB-VXGBXAGGSA-N 330.388 1.426 0 40 EDAB O=C(O)C[C@@H]1CCCN(C(=O)NCc2ncn(-c3ccccc3)n2)C1 571384274 YPEHNLCTGZTQFZ-ZDUSSCGKSA-N 343.387 1.664 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)Nc2nccs2)cc1Cl 226744445 KUQHVVUCYHAQCW-UHFFFAOYSA-N 347.805 1.461 0 40 EDAB CCn1cc(Cl)c(C(=O)NCCn2nnc3ccccc3c2=O)n1 225796826 UDTUCAWSTKTQEW-UHFFFAOYSA-N 346.778 1.091 0 40 EDAB Cc1ccc(N2C[C@@H]3COC[C@]3(CNC(=O)c3ccccc3)C2)nn1 96216222 YMKLCVWNTUHRGO-APWZRJJASA-N 338.411 1.668 0 40 EDAB Cn1cc(CN2CCc3ccc(=O)n(Cc4ccncc4)c3CC2)cn1 96196724 ZOFYYBUPYXVOLA-UHFFFAOYSA-N 349.438 1.626 0 40 EDAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@H](O)C(F)(F)F)C1=O 97378051 XBGVSAFPWCQZSH-SWLSCSKDSA-N 342.317 1.866 0 40 EDAB O=C(NC[C@@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1)N1CCCC1 96208475 BZRMMPYYDQFENR-MAUKXSAKSA-N 345.447 1.800 0 40 EDAB CC(C)CC(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CN2C 96237860 YWEUGXOSVQISBR-LJQANCHMSA-N 329.444 1.982 0 40 EDAB CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccccc2C(C)(C)C)C1 96427987 YWMQOOIFXUKRPW-AWEZNQCLSA-N 339.505 1.508 0 40 EDAB Oc1nc2ccccc2cc1CN1CCC[C@](O)(Cn2ccnn2)C1 583827890 PZNOUPLHEYJVBT-GOSISDBHSA-N 339.399 1.559 0 40 EDAB CC(=O)NCC(=O)NC[C@@H](C)Oc1ccccc1Br 96451966 MIAHNRWZXBAHLA-SECBINFHSA-N 329.194 1.469 0 40 EDAB Cc1nnc(C[C@H]2C[C@H]3CN(C(=O)c4csc(C)n4)C[C@H]3O2)o1 96217743 HAZWOLLVLLJKTF-DMDPSCGWSA-N 334.401 1.615 0 40 EDAB COc1ccc(-c2nn(CC(=O)NC3CC3)c(=O)cc2OC)cc1 96183129 FZTJGOZFJAYAFJ-UHFFFAOYSA-N 329.356 1.206 0 40 EDAB CCOc1cccc(CCNC(=O)CNC(=O)c2ccc(F)cc2)n1 584907948 OEMINDCHCORLFD-UHFFFAOYSA-N 345.374 1.708 0 40 EDAB c1cc(CN2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)ccn1 96052078 HDCCXLJQVUTURN-QZTJIDSGSA-N 328.416 1.586 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCNC[C@H]2c2cccc(Cl)c2)n1 585088557 RCCKDRSWUHWZHS-HNNXBMFYSA-N 346.818 1.378 0 40 EDAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCn2nnc(CO)c2C1 585086498 QIXLWHLGXUEEJB-UHFFFAOYSA-N 341.293 1.837 0 40 EDAB Cn1ccnc1CN1CC[C@@H]2O[C@H](COCC3CCOCC3)CC[C@@H]21 96186097 HYVQTDKQFIYJCF-BZSNNMDCSA-N 349.475 1.985 0 40 EDAB Cc1cccc(COC[C@]23COC[C@H]2CN(C(=O)c2cocn2)C3)n1 96108944 VMIXMHWUCMMAQA-KDOFPFPSSA-N 343.383 1.683 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4ccco4)C[C@@H]3C2=O)cs1 96245121 ZZKMUJPWTHFHPW-YPMHNXCESA-N 331.397 1.775 0 40 EDAB Cc1cccc(S(=O)(=O)N2CC3(CC[C@H](CN(C)C)CO3)C2)c1 248117057 LUUNPEYKOLAMPY-OAHLLOKOSA-N 338.473 1.726 0 40 EDAB O=C(CC[C@@H]1CCCO1)Nc1n[nH]cc1I 585127919 MMBASWULMARJTJ-ZETCQYMHSA-N 335.145 1.912 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CC[C@@](O)(CN2CCCC2)C1 257236075 HARLFVFDZYELJX-OAHLLOKOSA-N 346.399 1.186 0 40 EDAB O=C(N[C@H]1CCCNC1=O)c1ccnc(Cc2ccccc2F)c1 257337587 YTKLTYINWQQMFO-INIZCTEOSA-N 327.359 1.820 0 40 EDAB O=C(C1CCOCC1)N1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 257321649 WCOJVTRMIVIGLZ-IRXDYDNUSA-N 337.391 1.983 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCOC[C@@H]1CCc1cnccn1 257228373 FTOLMZFOTGHHBN-HNNXBMFYSA-N 330.388 1.484 0 40 EDAB COc1ccc([C@H]2CN(S(=O)(=O)N3CCCC3)CCN2C)cc1 257320425 VWTIMOOMLAXZMN-MRXNPFEDSA-N 339.461 1.324 0 40 EDAB Cc1ncoc1C(=O)N1CCO[C@H](CCc2ccnc(N(C)C)c2)C1 257295985 RASKVQUBOPIPRT-OAHLLOKOSA-N 344.415 1.918 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)Nc2nc3ccccn3n2)C[C@H]1C(F)(F)F 263040013 LQJKRMMIMVVKOC-HTQZYQBOSA-N 343.265 1.456 0 40 EDAB O=C(O)c1cncc(C(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)c1 1608980285 UAEJTBXPOFFONB-RHNCMZPLSA-N 326.352 1.602 0 40 EDAB CC(C)(C)CCCCNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 1615588167 OVPHZYSHFRHHFA-YVEFUNNKSA-N 338.452 1.880 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)[C@@]2(N(C)C)COc3ccccc3C2)C1 1616040273 CWXLHOJCXMKHGZ-APWZRJJASA-N 345.443 1.049 0 40 EDAB COC1CCN(C2CN(C(=O)c3cc(-c4ccco4)[nH]n3)C2)CC1 575611505 ZCENLYNMZXNGEG-UHFFFAOYSA-N 330.388 1.605 0 40 EDAB COC(=O)[C@@H](c1cccc(O)c1)N(C)Cc1nnnn1C(C)(C)C 585140404 DBZMSYBLQWOPIL-CQSZACIVSA-N 333.392 1.480 0 40 EDAB CCCN(Cc1cccn1-c1ccccn1)[C@@H]1COC[C@@H](O)[C@H]1O 585292130 YWVIWKZYXYDMSI-NUJGCVRESA-N 331.416 1.205 0 40 EDAB Cc1ccccc1OC[C@]1(O)COCCN(CC2CCOCC2)C1 585275284 BXHGHZAFMLGWJT-LJQANCHMSA-N 335.444 1.864 0 40 EDAB CNC(=O)CCNC(=O)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1 69900585 PCMZTDQKTSUECN-UHFFFAOYSA-N 328.376 1.607 0 40 EDAB Cc1csc(=O)n1CCC(=O)NCCNC(=O)c1ccccc1 36705623 SIYFEVJZWSLVJU-UHFFFAOYSA-N 333.413 1.155 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)c1cccc2cccnc12 54323164 FOIIFLBOJAABKW-UHFFFAOYSA-N 347.378 1.864 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCC(N2CCNC2=O)CC1 55786168 KJHJTUAGCRQGAG-UHFFFAOYSA-N 325.372 1.260 0 40 EDAB CS(=O)(=O)NCCNC(=O)c1c(Cl)ccc(Cl)c1Cl 90143053 XZGYJVUBVPNEES-UHFFFAOYSA-N 345.635 1.926 0 40 EDAB COc1ccc([C@H](CC(=O)Nc2c[nH]ccc2=O)NC(C)=O)cc1 40555049 FHXLILFEHVEHIN-AWEZNQCLSA-N 329.356 1.590 0 40 EDAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)N1CCOCC1 1012918 JYCUHTIWRSMTSO-DHZHZOJOSA-N 338.410 1.643 0 40 EDAB O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)NCc1ccco1 11666352 JJBWYGOFKYINHS-UHFFFAOYSA-N 349.350 1.467 0 40 EDAB CC1=CC2=NC(=O)C[C@](C)(C(=O)NCCn3ccc(C)n3)N2C=C1 12199172 XQFQWIDXJHZZAX-QGZVFWFLSA-N 327.388 1.171 0 40 EDAB COc1ccc(CNC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1OC 19937545 AZSZMGMRLACMFI-UHFFFAOYSA-N 331.372 1.263 0 40 EDAB COc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1C 207981423 FPQAVBTXKHGCJS-UHFFFAOYSA-N 336.417 1.338 0 40 EDAB NC1(C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4cccc(F)c4)CO3)C2)CCCC1 643585965 JCKARASOXOYOQH-IDHHARJASA-N 348.418 1.543 0 40 EDAB CC(C)[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CCCO1 584157819 ALFKXHZJGCQKCV-RDJZCZTQSA-N 349.479 1.845 0 40 EDAB COc1ccccc1OCC(=O)NCC1CCN(C(=O)N(C)C)CC1 390831285 QYZIAXPPOCCGFF-UHFFFAOYSA-N 349.431 1.584 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ncccn2)c1C 6875898 IIGQEAREVUIJNR-UHFFFAOYSA-N 346.343 1.394 0 40 EDAB O=C1[C@@H]2CN(Cc3n[nH]c4c3CCC4)C[C@H]2C(=O)N1c1ccccc1 1888853592 MWFLXVHXGFPWJH-HUUCEWRRSA-N 336.395 1.520 0 40 EDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccccn5)C[C@H]4C3)nn12 1888879366 GJKCVDHPHKWJKZ-OKILXGFUSA-N 349.398 1.036 0 40 EDAB CN(C)c1ccnc(N2CCN(c3ncnc4c3CCCC4)CC2)n1 1889085189 AEFDAMDYPJGVGT-UHFFFAOYSA-N 339.447 1.538 0 40 EDAB CN(C1(CO)CC1)S(=O)(=O)Cc1ccc(Br)cc1 295920191 HWTVUEATYXGLQH-UHFFFAOYSA-N 334.235 1.736 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cnsn2)CC1 1565523817 XMLJCNYFPUBJNN-UHFFFAOYSA-N 333.373 1.621 0 40 EDAB Cc1ncnc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC(C)C)C2)c1C 1565545862 RAMMWUBOECFQOI-QLFBSQMISA-N 346.431 1.095 0 40 EDAB COc1cnccc1C(=O)N1C[C@@H]2c3cnc(N(C)C)nc3C[C@H]2C1 1565551729 JXHAERMSBSCEBP-FZMZJTMJSA-N 339.399 1.358 0 40 EDAB O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)Nc1ccccc1 4139835 LXXGIRJHONWVKZ-UHFFFAOYSA-N 346.350 1.616 0 40 EDAB Cc1cc(NC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)no1 4250422 DUUHSMGXFRIXHB-UHFFFAOYSA-N 334.361 1.062 0 40 EDAB O=C(NCCS(=O)(=O)NCc1ccc(F)cc1)c1ccccc1 4940911 BFDAJCWHCNRNQK-UHFFFAOYSA-N 336.388 1.675 0 40 EDAB Cn1cnc2c(N3CC[C@](F)(C(=O)Nc4cccnc4)C3)ncnc21 2086866063 NLKOGQLXXIGYFX-MRXNPFEDSA-N 341.350 1.315 0 40 EDAB O=C(Cn1cccc1)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225779861 FCGXTPVTSHRKDS-UHFFFAOYSA-N 342.786 1.734 0 40 EDAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100474688 LZMUKDFGKJKUTL-KBXIAJHMSA-N 342.395 1.461 0 40 EDAB C[C@H](NC(=O)CN(C)c1cnccn1)c1ccc2c(c1)OCCO2 31288902 OGTQBXKDQBWMND-LBPRGKRZSA-N 328.372 1.561 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)NCCN3CCCC[C@H]3C)cnc12 40535715 KSLRGYOPXDSBNC-OAHLLOKOSA-N 342.443 1.696 0 40 EDAB Cc1ccccc1OCCC(=O)NC1CCN(S(C)(=O)=O)CC1 40512904 XTNVYJBFDOYYNC-UHFFFAOYSA-N 340.445 1.304 0 40 EDAB O=C(CCc1nc(-c2cccs2)no1)N[C@@H]1CCCCNC1=O 40521676 ISPKQOUOTHRXMO-SNVBAGLBSA-N 334.401 1.516 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)o1 40513988 GAGDBJNFZFENGC-QMMMGPOBSA-N 340.323 1.602 0 40 EDAB O=C(CCNC(=O)c1cccs1)NC[C@@H]1COc2ccccc2O1 32531545 RUVRXSSAJYPYSO-GFCCVEGCSA-N 346.408 1.824 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Cc2cccc3cccnc23)CC1 52051643 USRMAYXCZNPDAI-UHFFFAOYSA-N 347.440 1.271 0 40 EDAB C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CN1)c1cccs1 32699464 YBLYIZATACFUTA-LLVKDONJSA-N 328.397 1.875 0 40 EDAB CCc1cccc(CC)c1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O 32689123 HKGUSVZXACQALL-UHFFFAOYSA-N 343.383 1.703 0 40 EDAB CN(C)[C@@H](CNC(=O)c1cnc2ccccn2c1=O)c1ccccc1 32899968 RTFCARHRLIDZGH-INIZCTEOSA-N 336.395 1.727 0 40 EDAB CC1CCC(NC(=O)CCNS(=O)(=O)c2cccnc2)CC1 32826472 ZPCPADFLCWZYIU-UHFFFAOYSA-N 325.434 1.445 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCc2ccccc21 33026873 PSWPRMZDVALRGQ-UHFFFAOYSA-N 332.381 1.546 0 40 EDAB COc1cccc(/C=c2\s/c(=C\C(=O)c3ccncc3)[nH]c2=O)c1 103018473 SQZNNTJPHOLVCS-APGQMXJTSA-N 338.388 1.332 0 40 EDAB NS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(Br)s1 69814277 VEFJCYSPMANIIG-QMMMGPOBSA-N 339.280 1.764 0 40 EDAB Cc1cc(S(=O)(=O)Nc2nc(N)n(C)n2)c(S)cc1Cl 1637833 ZSQPQYIRXMQNMO-UHFFFAOYSA-N 333.826 1.449 0 40 EDAB CCN(Cc1ccoc1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 79359989 CYXGWRSLBDDUNJ-NVXWUHKLSA-N 344.415 1.971 0 40 EDAB CN(CC(=O)NCC(=O)NCc1ccccc1)c1ccc(Cl)cn1 53502718 SNZQJRTYMXTZHC-UHFFFAOYSA-N 346.818 1.604 0 40 EDAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N1CCOCC1 3296312 MGNIEXUQUOCUJZ-UHFFFAOYSA-N 343.166 1.448 0 40 EDAB O=c1c2ccccc2nnn1CN1CCN(Cc2cccs2)CC1 22794560 CTJVLBMGNKIBPE-UHFFFAOYSA-N 341.440 1.628 0 40 EDAB COc1cccc(N2C[C@H](NC(=O)NCc3ccco3)CC2=O)c1 4373342 INGKCCYXQQFRHB-GFCCVEGCSA-N 329.356 1.893 0 40 EDAB CC(=O)O[C@@H](C)C(=O)OCCCCCOC(=O)[C@H](C)OC(C)=O 4804942 LNCHADWZXKSXCS-QWRGUYRKSA-N 332.349 1.146 0 40 EDAB COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3cccnc3)C2)c1 4904395 IHOIBHPIKDLHTL-QGZVFWFLSA-N 341.367 1.908 0 40 EDAB Cn1cccc1C(=O)NC(=O)Cn1cccc(C(F)(F)F)c1=O 23107672 YLYBYMSWZMFTMB-UHFFFAOYSA-N 327.262 1.162 0 40 EDAB CC(C)[C@H](CNC(=O)Cn1nc(-c2ccccc2)oc1=O)N(C)C 42484210 ISZZWVYYROWQIF-AWEZNQCLSA-N 332.404 1.206 0 40 EDAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 7927738 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C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 58209129 DACLJKNDQSVLKL-ZDUSSCGKSA-N 347.268 1.271 0 40 EDAB COCCN1CCCN(C(=O)[C@@H](c2ccccc2)n2cccn2)CC1 58246453 OUUDEDZFOJYESU-GOSISDBHSA-N 342.443 1.653 0 40 EDAB O=C(CCc1ccccc1)N1CCN(Cc2nnnn2C2CC2)CC1 58264448 NYYISQVPDGTBIW-UHFFFAOYSA-N 340.431 1.285 0 40 EDAB COCCN(Cc1cccs1)C(=O)[C@H]1CCCN(C(N)=O)C1 48279023 GRIZIHZNSWZOJD-LBPRGKRZSA-N 325.434 1.514 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)CN2CCOCC2)cc1C 44937522 SHQHFGIGDGZSMJ-CYBMUJFWSA-N 328.434 1.003 0 40 EDAB Cc1ccn(-c2ccc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)cc2)n1 44939653 GROHZUNAFWIXCN-ZDUSSCGKSA-N 333.413 1.345 0 40 EDAB C[C@H]1COCCN1C(=O)NCc1cccnc1OCC(F)(F)F 44968805 GTQPFLDEENQNCV-JTQLQIEISA-N 333.310 1.953 0 40 EDAB CCOc1ncccc1CNC(=O)CNC(=O)c1cc(F)cc(F)c1 58313961 MAVBBTHRKHDBII-UHFFFAOYSA-N 349.337 1.805 0 40 EDAB CCN(Cc1ccc(C(=O)NCCN2CCOCC2)cc1)C(C)C 58393861 PZLQFMBLZFZEPD-UHFFFAOYSA-N 333.476 1.979 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N1[C@@H]2CCC[C@@H]1COC2 101328547 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342.304 1.659 0 40 EDAB CCCCn1c(SCC(=O)Nc2nc(C)cs2)n[nH]c1=O 8709377 FVORFNSMJITCHB-UHFFFAOYSA-N 327.435 1.867 0 40 EDAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(CC)C2)c1 49126824 NYDKACXPQRYVDY-BBRMVZONSA-N 345.443 1.700 0 40 EDAB Cc1ccc(Cl)cc1NC(=O)N1CCN(S(C)(=O)=O)CC1 13323735 VFJHJSRQLDTBMH-UHFFFAOYSA-N 331.825 1.758 0 40 EDAB Cn1nc2c(c1NC(=O)c1ccc(N3CCOCC3)cc1)CCC2 63940298 FRMWRJMSTVQAKF-UHFFFAOYSA-N 326.400 1.998 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)O[C@@H]1CCCCC1=O 63986526 QPUIDPIQXJBWER-OAHLLOKOSA-N 341.367 1.738 0 40 EDAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccccc1O 83987445 UAWPTEQDKJCJJW-OAHLLOKOSA-N 346.408 1.717 0 40 EDAB COC(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@H](c2nc(C)no2)C1 65565585 RNEOGZGZNRSPRG-QWHCGFSZSA-N 338.408 1.855 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 22516297 QXMBGTGSCTYNCI-HOCLYGCPSA-N 334.391 1.973 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1 14188138 DBOASJYSLYTSCW-SNVBAGLBSA-N 349.822 1.874 0 40 EDAB O=C(CC[C@@H]1NC(=O)NC1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 14171586 ORGRHUQLVLLJAF-NSHDSACASA-N 345.355 1.655 0 40 EDAB CCn1c(=O)n(CC(=O)NC(=O)NCc2ccco2)c2ccccc21 14109644 CKJKPIYRPJBURL-UHFFFAOYSA-N 342.355 1.442 0 40 EDAB O=C(N1CCOCC1)N1CCO[C@H](c2noc(-c3ccccc3)n2)C1 96000529 GBFURHXLKQJIBK-AWEZNQCLSA-N 344.371 1.562 0 40 EDAB COc1ccccc1C[C@H]1CCCN(CC(=O)N2CCOCC2)C1 66894368 LPGVYZFRRZYECH-MRXNPFEDSA-N 332.444 1.809 0 40 EDAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1nccs1 9342473 GVKTYFZLZGFSEU-UHFFFAOYSA-N 329.378 1.589 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(-n2nnnc2C)c1 61717582 OCIFSPBCMUVVAA-UHFFFAOYSA-N 334.361 1.376 0 40 EDAB COCCN1CC[C@H](CNC(=O)CCn2c(=O)oc3ccccc32)C1 68493396 JBVFFFBWEXPHBZ-CQSZACIVSA-N 347.415 1.069 0 40 EDAB CN1CCN(c2ccc(F)cc2C(=O)NC2CCC(O)CC2)CC1 96412330 YJCPJKWIWITODD-UHFFFAOYSA-N 335.423 1.611 0 40 EDAB O=C(Cc1ccccc1F)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 96432219 BWYGOHAURJZWLA-GFCCVEGCSA-N 337.376 1.563 0 40 EDAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)cc1 408733184 FSDZLSOHVWOSQZ-SAKMYQHLSA-N 343.379 1.671 0 40 EDAB O=S(=O)(CCn1c(CO)nc2ccccc21)Oc1ccccc1 23296059 QBWLPYSXPJVONM-UHFFFAOYSA-N 332.381 1.937 0 40 EDAB NC(=O)[C@H](CNC(=O)CCc1nccs1)Cc1ccc(F)cc1 71841494 OGRBJUQVRNICBL-LBPRGKRZSA-N 335.404 1.675 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(CC(=O)N(C)c3nccs3)CCO2)n1 69349935 PFRSEHMFEAGNIA-CQSZACIVSA-N 349.460 1.320 0 40 EDAB Cc1ccncc1NC(=O)C(=O)N1CCO[C@@H](c2ccccc2)C1 71857627 ZGZGURQTCRFKON-MRXNPFEDSA-N 325.368 1.929 0 40 EDAB O=C(NCc1nnc2ccccn12)c1cccc(CN2CCCC2=O)c1 8352431 HGCCJBWRIAEAPO-UHFFFAOYSA-N 349.394 1.782 0 40 EDAB O=C([C@@H]1CC2(CCNCC2)CN1)N1CCOc2ccc(Cl)cc2C1 72147949 PJVMWCKVNMCJEE-HNNXBMFYSA-N 349.862 1.793 0 40 EDAB Cc1noc(CN2CCN(Cc3nnc(-c4ccco4)o3)CC2)n1 69529189 WXBQQXIQFGZYHE-UHFFFAOYSA-N 330.348 1.339 0 40 EDAB O=C(Cc1csc(-c2nc[nH]n2)n1)N1CCC[C@H](n2cccn2)C1 69562847 GHISTXNSAXUSLA-LBPRGKRZSA-N 343.416 1.531 0 40 EDAB Cc1cccc(CCC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 71908951 TXMOXTOMICXOJT-IBGZPJMESA-N 345.487 1.450 0 40 EDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)N1CCCc2ccccc21 69629939 QJVXMAAYAALKDL-MRXNPFEDSA-N 339.443 1.970 0 40 EDAB Cc1nc(N2CCN(C(=O)[C@H]3CC=CCC3)CC2)c2cnn(C)c2n1 71905675 SWDMIKURPMSNOD-AWEZNQCLSA-N 340.431 1.677 0 40 EDAB COc1cc2nc(N3CCC[C@@H](OCCO)C3)nc(N)c2cc1OC 71908980 UBKARUPMQHONRI-LLVKDONJSA-N 348.403 1.207 0 40 EDAB Cc1nnc2n1CCN(CCS(=O)(=O)c1ccc(Cl)cc1)C2 69769890 YRALFNTURUTBFO-UHFFFAOYSA-N 340.836 1.529 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@@H]1CO 97082844 PNUWXTXWRPYJPP-GXSJLCMTSA-N 338.351 1.882 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(Cc3nc4c(F)cccc4[nH]3)C2)C1=O 84597385 LPUOUYLJNYALGC-QGZVFWFLSA-N 345.378 1.607 0 40 EDAB O=C(CN1CCn2c(nnc2C2CC2)C1)NCCc1ccsc1 72268413 JERLLBOKEGAXSK-UHFFFAOYSA-N 331.445 1.392 0 40 EDAB COCCCN1C(=O)C[C@H](C(=O)O)[C@@H]1c1cnn(-c2ccccc2)c1 72275676 ZKRCMCDALSQWOQ-RDJZCZTQSA-N 343.383 1.883 0 40 EDAB COc1ccc(COCC(=O)N2CCC[C@H](n3cncn3)C2)cc1 72234915 WRSXUMDSOHVORH-HNNXBMFYSA-N 330.388 1.667 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)no1 72232045 KUKPRSCPTGLRKI-UONOGXRCSA-N 337.420 1.924 0 40 EDAB O=C(Cn1nc2ccccn2c1=O)Nc1cc(Cl)c(Cl)cn1 72305115 TZEYWYBXILDTLQ-UHFFFAOYSA-N 338.154 1.837 0 40 EDAB Cc1cc(CS(=O)(=O)CCn2cnc3ccccc3c2=O)on1 95967194 TZYYMFYKGNUAAO-UHFFFAOYSA-N 333.369 1.308 0 40 EDAB CC(C)N1CCC[C@H](N2CCN(CC3(O)CCCCC3)CC2)C1=O 95999517 XDOINBMHACTLSX-KRWDZBQOSA-N 337.508 1.699 0 40 EDAB CCOC(=O)[C@H]1C[C@@H]1c1nc2sc(C(=O)NC)c(C)c2c(=O)[nH]1 95993717 GBZZWOGXRYURRJ-YUMQZZPRSA-N 335.385 1.319 0 40 EDAB COc1ccc(CNc2ccc(N3CCNC(=O)C3)nc2)cc1F 95986261 TZCYJFCGEOUSPI-UHFFFAOYSA-N 330.363 1.778 0 40 EDAB Cc1cccc(C)c1OCC(=O)N1CC(n2cc([C@H](C)O)nn2)C1 95998089 WVDONWPFQKHNIR-ZDUSSCGKSA-N 330.388 1.411 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCC1(CO)CC1)c1ccco1 89829980 REIKCBLHASJNST-HNNXBMFYSA-N 342.395 1.509 0 40 EDAB CCn1nc(C(=O)N[C@@](CC)(C(=O)O)c2ccccc2)ccc1=O 89947862 AIBXPEPQYQWSJZ-QGZVFWFLSA-N 329.356 1.383 0 40 EDAB C[C@H](Cc1ccccc1Br)NC(=O)CSCC(N)=O 89904193 SKSVMILADIWFMW-SECBINFHSA-N 345.262 1.715 0 40 EDAB Cc1cc(N2CCc3nn(C(C)C)c(=O)cc3C2)n2ncnc2n1 76064319 SVFWRDCQMTUFPC-UHFFFAOYSA-N 325.376 1.133 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)CS(=O)(=O)C2CCCC2)no1 76046509 LACSMGPOGTVTER-GFCCVEGCSA-N 327.406 1.399 0 40 EDAB CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cnc(C)nc1N 547311261 RKNJPFRMQHXYRJ-AWEZNQCLSA-N 325.416 2.108 0 40 EDAB O=C(NC[C@H]1CCN(c2ccc(F)cc2F)C1)c1cc(=O)cc[nH]1 1551917972 WGMYNAMTJLLWCY-LLVKDONJSA-N 333.338 1.909 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCCCc1nnc2ccccn12 36358245 DZFHWEBRCJZZQW-UHFFFAOYSA-N 337.383 1.208 0 40 EDAB NC(=O)[C@@H]1CCN(c2ncc3scc(Br)c3n2)C1 521396785 VOVICNBKKQVHAF-ZCFIWIBFSA-N 327.207 1.765 0 40 EDAB Cc1oc(-c2ccccc2)c(C(=O)NCCNS(C)(=O)=O)c1C 187567625 JXOFUHXMZWCQGH-UHFFFAOYSA-N 336.413 1.842 0 40 EDAB C[C@@]1(C(N)=O)CCCCN1CC(=O)NC1C2CC3CC(C2)CC1C3 542628051 NNKXDZAIUMVMJW-JGUZVMMMSA-N 333.476 1.657 0 40 EDAB CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cc(Cl)ccc2O)O1 180321182 OSCQYVCYONOHNG-GXFFZTMASA-N 326.780 1.411 0 40 EDAB COC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2C(F)(F)F)CCO1 121806778 LWAZAEMPYMYHPE-LLVKDONJSA-N 335.253 1.859 0 40 EDAB CCCOC(=O)c1cc(N)c(Sc2nncn2N)c(Cl)c1 70462550 AVVRFUKUGUTAFH-UHFFFAOYSA-N 327.797 1.946 0 40 EDAB COCc1cccc(C(=O)N2CCCN(c3ncccn3)CC2)c1 79000151 GIPCTHSBTKUZSJ-UHFFFAOYSA-N 326.400 1.976 0 40 EDAB CC(C)N(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CN 79392944 YQOZKEHTHFGVRO-INIZCTEOSA-N 333.432 1.983 0 40 EDAB COC(=O)NCCCC(=O)N1CCN(C(=O)Oc2ccccc2)CC1 78661631 LHMLKKONJKGNAR-UHFFFAOYSA-N 349.387 1.466 0 40 EDAB CC(C)[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79393239 LPRTVGCQHOXMGS-HOTGVXAUSA-N 333.432 1.745 0 40 EDAB C[C@@H](C(=O)NCCNS(=O)(=O)c1ccc(F)c(Cl)c1)C1CC1 564244560 PKAIAGBFLSQILU-SECBINFHSA-N 348.827 1.920 0 40 EDAB Cn1cccc(C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c1=O 75156954 YHDFGGDGGOZJBE-UHFFFAOYSA-N 343.383 1.261 0 40 EDAB Cn1c(C(F)(F)F)nn(CCNC(=O)CCc2ccccc2)c1=O 85555751 UDMWFKSIARYPPN-UHFFFAOYSA-N 342.321 1.350 0 40 EDAB O=C1[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)N1CC[C@H]1CCCO1 225533340 YKEYCAOSZDGTLV-ZACQAIPSSA-N 328.412 1.673 0 40 EDAB COc1ccccc1CN(C)C(=O)CCCN1C(=O)NC(C)(C)C1=O 44869171 CSAIFDXOHWJLEG-UHFFFAOYSA-N 347.415 1.764 0 40 EDAB O=S(=O)(CCN1CCCC1)N1CCCC[C@H](N2CCCC2)C1 192621310 LWJBPAGSNLWBRE-INIZCTEOSA-N 329.510 1.362 0 40 EDAB NC[C@H]1CN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)CCCO1 574096321 QYXSZYNMURRAJD-JTQLQIEISA-N 336.342 1.545 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C[C@H](O)COc3ccccc3F)CCO2)n1 84271515 AKSBNCNIUKZORG-WFASDCNBSA-N 336.367 1.065 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 96487391 CHFIZKUWBKSQEW-OLZOCXBDSA-N 330.837 1.594 0 40 EDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1csnc1-c1ccccc1 583651137 GAJCHUPXTBZIPM-JTQLQIEISA-N 339.442 1.613 0 40 EDAB CCOc1ccc([C@H](N)c2n[nH]c(-c3cnccn3)n2)cc1OC 95534250 KWFUFBWABJXJGL-AWEZNQCLSA-N 326.360 1.717 0 40 EDAB FC(F)(F)c1nnc2n1CCN(c1nnnn1-c1ccccc1)C2 95399785 JRRABEKGTHPZKH-UHFFFAOYSA-N 336.281 1.293 0 40 EDAB CN1CCN(Cc2cnc(N3CCOCC3)nc2)c2ccccc21 97236444 WVAYHRBNUVUPLF-UHFFFAOYSA-N 325.416 1.770 0 40 EDAB O=C(NCCCCO)[C@H]1CN(Cc2ccccc2)C[C@]12CCOC2 585122127 OFDDMGLPHBFXBY-MJGOQNOKSA-N 332.444 1.414 0 40 EDAB CC(=O)N(C)CC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 96495838 OXGSCSYAMRKQEM-HNNXBMFYSA-N 341.415 1.656 0 40 EDAB O=C(C[C@H]1OC[C@H]2CN(Cc3ccccn3)CC[C@H]21)N1CCCO1 96207028 BOWPRQOEBAHIBS-DJIMGWMZSA-N 331.416 1.473 0 40 EDAB CC[C@@H]1CC[C@H](C(=O)Nc2n[nH]cc2I)O1 585127481 BCDOODIIKPGYMM-HTRCEHHLSA-N 335.145 1.910 0 40 EDAB O=C(NCc1ccco1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccccn2)C1 96038949 AYKPRCYMRXKKDL-ZTFGCOKTSA-N 341.411 1.970 0 40 EDAB CN(C)S(=O)(=O)N1CCC(C)(c2ncn3ccsc23)CC1 257319221 VRIOIUGPNIDXJQ-UHFFFAOYSA-N 328.463 1.556 0 40 EDAB O=C(NCc1ccnc([C@@H]2CCCOC2)n1)c1n[nH]c2c1CCC2 257281232 OOFZWEPSNZUDKF-LLVKDONJSA-N 327.388 1.512 0 40 EDAB Cc1ccnc([C@H]2CCN(C(=O)c3cccc(-n4cnnc4)c3)C2)n1 257256925 KNKONBOVVHGWHO-HNNXBMFYSA-N 334.383 1.995 0 40 EDAB CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 252479875 BOINOZCISWDZBB-UONOGXRCSA-N 337.395 1.809 0 40 EDAB CN(C(=O)c1cnn2cccnc12)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257316080 VEADVJLBEQJYPN-BZUAXINKSA-N 343.431 1.179 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cccs3)C2)ncn1 257309076 TZLAWADSOAUATE-MRXNPFEDSA-N 332.429 1.608 0 40 EDAB CCCn1ccc(C(=O)N[C@@H]2C[C@H]3Oc4ccccc4N[C@H]3[C@@H]2O)n1 257215165 CPABGPFOFADLKD-MWQQHZPXSA-N 342.399 1.398 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1)c1ccsc1 25329128 VDGCDAUMFZKAMD-OAHLLOKOSA-N 342.428 1.757 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)COc2cccnc2)C1 257292065 QJUMCYGKTBSDPL-CQSZACIVSA-N 341.415 1.773 0 40 EDAB CCc1cc(C(=O)N2CCC[C@H]2c2nccc(CNC(C)=O)n2)no1 257301145 RXDPPAJKTLXFJQ-HNNXBMFYSA-N 343.387 1.640 0 40 EDAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccno2)C1 262466159 SZPHZUPKGCUQMC-NSHDSACASA-N 336.369 1.827 0 40 EDAB COC[C@](C)(CNS(=O)(=O)c1ccc(-n2cccn2)cc1)OC 618254926 HVGFUPKVMKQLBO-HNNXBMFYSA-N 339.417 1.202 0 40 EDAB CCn1cc(C(=O)NCCN2CCc3c(Cl)cccc3C2)nn1 1615000987 GKMJIAPHADNEKM-UHFFFAOYSA-N 333.823 1.740 0 40 EDAB CN(C)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N1C(=O)CCc1ccccc1O 1615590200 ZUHBWRHVMMBYDE-YCPHGPKFSA-N 332.400 1.171 0 40 EDAB CCn1cc(-c2noc(CNC(=O)COCc3ccccc3)n2)cn1 390831619 SXRCWAUGRKFLMX-UHFFFAOYSA-N 341.371 1.786 0 40 EDAB CC(C)n1cc2ccc(NC(=O)[C@@H]3CN4CCCN3CC4)cc2n1 390835334 LCLBKUKYMXUPGM-KRWDZBQOSA-N 327.432 1.946 0 40 EDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)C2CC(F)C2)C3)n1 575406346 ZXGDKYZCYPUVPV-JXQTWKCFSA-N 335.379 1.672 0 40 EDAB O=C(c1cncc(F)c1)N1CCN(c2ccc(C3CC3)nn2)CC1 575607892 KXSXQERVOWYVCV-UHFFFAOYSA-N 327.363 1.851 0 40 EDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)c3cccnn3)CCO2)cc1 585277944 ZCFZSHZHFAPFCW-SFHVURJKSA-N 327.384 1.231 0 40 EDAB COC[C@@H]1CCn2nccc2CN1S(=O)(=O)c1ccccc1F 585098103 UERJUWDIAQQCOI-ZDUSSCGKSA-N 339.392 1.632 0 40 EDAB Cc1ccc(S(=O)(=O)CC(=O)N(C)Cc2cnn(C)c2)cc1C 66206142 PGNQXUAKPRWICT-UHFFFAOYSA-N 335.429 1.469 0 40 EDAB CN(C)C(=O)CS(=O)(=O)Cc1csc(-c2ccccc2F)n1 69845187 KWJJRYFIOFPSQA-UHFFFAOYSA-N 342.417 1.952 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@H](CF)C2)cc1C(N)=O 882604012 UBMRNPIYVCCHPS-SNVBAGLBSA-N 330.381 1.164 0 40 EDAB Cc1cc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)nnc1C 72291862 KTHKGFVFWPHMHY-GOSISDBHSA-N 342.443 1.655 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)CCc1nc(-c2ccccc2)no1 44940429 CAXNDJGYQCBUGR-CQSZACIVSA-N 344.415 1.506 0 40 EDAB Cc1nc(CCCNc2cc(C(F)(F)F)nc3ncnn23)n[nH]1 72307666 LQFMMQUEQSMQHW-UHFFFAOYSA-N 326.286 1.614 0 40 EDAB O[C@@H](COc1ccccc1F)CN1CCN(c2nccs2)CC1 55471969 LXYCCZQNSVCEPJ-CYBMUJFWSA-N 337.420 1.844 0 40 EDAB O=C([C@@H]1CCCN(Cc2nnsc2Cl)C1)N1CCOCC1 54994184 HTEJBFRITNUIDY-SNVBAGLBSA-N 330.841 1.262 0 40 EDAB O=C(NCCCn1cncn1)c1ccc(F)cc1Br 41862705 XRNRWRYAXMOREE-UHFFFAOYSA-N 327.157 2.000 0 40 EDAB CN1C[C@@H](C(=O)NCc2ncccn2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595921 SLZRRLMEBWONJT-KEYYUXOJSA-N 342.374 1.543 0 40 EDAB CC(C)NC(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12220226 CXFCGFBDTHJKFE-UHFFFAOYSA-N 325.372 1.446 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(CCOc2ccccc2F)c1 12817733 BLOFSBBNKHQUCA-UHFFFAOYSA-N 340.376 1.317 0 40 EDAB COc1ccc(CNC(=O)C[C@H]2CSc3nc(C)cc(=O)n32)cc1 14031558 OLZFLPUFYYCJMR-ZDUSSCGKSA-N 345.424 1.914 0 40 EDAB CN1C[C@H](C(=O)N2CCC(c3nn(C)c4ncccc34)CC2)CC1=O 19289505 AVQWAYDDILIQHP-CYBMUJFWSA-N 341.415 1.153 0 40 EDAB CCOCCCNC(=O)Cn1nc(-c2cccs2)cc(N)c1=O 19531018 GBNDXVNXVNGPSY-UHFFFAOYSA-N 336.417 1.097 0 40 EDAB CN1c2cnc(N3CCOCC3)nc2-c2sccc2S1(=O)=O 19894260 GFBKCFZISKVNAA-UHFFFAOYSA-N 338.414 1.180 0 40 EDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1cc(C3CC3)on1)C2 585150392 VAMCVSRPHCJVCR-GFCCVEGCSA-N 327.388 1.695 0 40 EDAB O=C(OCC(=O)N1CCNC1=O)c1ccc2c(c1)-c1ccccc1C2 9532692 IKNYUOFEBYLYLX-UHFFFAOYSA-N 336.347 1.966 0 40 EDAB CC(C)CCNC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3600947 BYEKLJSYOGQEIN-LJQANCHMSA-N 343.427 1.932 0 40 EDAB O=C(COC(=O)c1ccc(F)cc1)NC[C@H]1COc2ccccc2O1 5216386 LKRPYGSGDNSLTE-AWEZNQCLSA-N 345.326 1.939 0 40 EDAB CN(C)c1ccnc(N2CCN(c3ccnc(C4CC4)n3)CC2)n1 1888854047 CMSDIDAEZLMDCF-UHFFFAOYSA-N 325.420 1.537 0 40 EDAB CC(C)c1nc(N2CCN(c3ncncc3F)CC2)nc(O)c1F 1888855805 MJQVOTGDLPLBHY-UHFFFAOYSA-N 336.346 1.700 0 40 EDAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)CCn2cncn2)C1 23754060 LRCDWNDSKPTZHU-CQSZACIVSA-N 327.388 1.546 0 40 EDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccc(F)cc1 2037971245 IMJSFUPNWQQMEM-ZSYWTGECSA-N 331.387 1.335 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@@H](NC4CCCC4)CS3)C2)n(C)n1 2056223598 VGUXXUAACPXPRJ-CQSZACIVSA-N 334.489 1.961 0 40 EDAB CCc1nccn1CC1CN(c2nc3ccsc3c(=O)n2C)C1 2087067209 UHJKGYXPZFOODR-UHFFFAOYSA-N 329.429 1.890 0 40 EDAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2C(=O)c2csnn2)cn1 1565550623 FYGYUMHCSPSCTD-GJZGRUSLSA-N 347.444 1.524 0 40 EDAB CCc1nccn1CC1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 1849356354 FJRLHZVTGSABGN-UHFFFAOYSA-N 347.440 1.701 0 40 EDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)C2CC(F)(F)C2)CC1 2055772317 VSBFZDLJWGWQPO-UHFFFAOYSA-N 340.374 1.334 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2ccc(C)cc2)C1 2055771891 HBQRNGZKDANIRH-GOSISDBHSA-N 326.400 1.569 0 40 EDAB O=c1[nH]c(=O)n(Cc2ccccc2)c2ncn(Cc3ccccc3)c12 49727 GMANCBOGUXSDSL-UHFFFAOYSA-N 332.363 1.983 0 40 EDAB Cn1c(-c2ccccn2)nn(CCNC(=O)Nc2cccs2)c1=O 38533045 LQWYJADNPVRNAQ-UHFFFAOYSA-N 344.400 1.527 0 40 EDAB CC(=O)OC(C)(C)C(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575609584 NGRDMLBMQSMYSA-GFCCVEGCSA-N 341.795 1.842 0 40 EDAB CCOc1ncccc1C(=O)NCc1nc(-c2cc(C)on2)no1 225813261 KFTJEQSSSKEOTC-UHFFFAOYSA-N 329.316 1.757 0 40 EDAB O=C(O)[C@H]1CCCN(C(=O)CCC(=O)N2CCc3ccccc32)C1 20263125 VEKAEOLZGQMZLV-AWEZNQCLSA-N 330.384 1.679 0 40 EDAB NC(=O)[C@@H]1CCCCN1CC(=O)N1CCC(Cc2ccccc2)CC1 40465847 JSKIHTSEGGJDID-SFHVURJKSA-N 343.471 1.808 0 40 EDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1c(=O)cnc2ccccc21 31560657 JQEZLPTTZQVPSR-LBPRGKRZSA-N 349.346 1.054 0 40 EDAB Cc1ccc(-n2cc(C(=O)NCc3nnc4ccccn34)nn2)cc1 32488985 JNQDXVNGXZNRNN-UHFFFAOYSA-N 333.355 1.548 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(OCc3ccncc3)cc2)CC1 32796395 YTKPHBCENIKVPI-UHFFFAOYSA-N 339.395 1.965 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nc2ccccc2[nH]1 102267055 USLOXHJUIXUOKO-TXEJJXNPSA-N 338.367 1.843 0 40 EDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)CNC(=O)c1ccccc1 102527694 BVMPKVBRIVFGKC-IJEWVQPXSA-N 346.427 1.901 0 40 EDAB O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 32912365 RNFATVDOXINBGM-KWQFWETISA-N 330.203 1.599 0 40 EDAB Cc1cc(NC(=O)CN2CCCC[C@H]2CC(N)=O)n(C(C)(C)C)n1 71904615 LTDVRFRORKVHNT-ZDUSSCGKSA-N 335.452 1.615 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)COc2ccccc2C)n1 557464 BYVNJFJFGOMBSE-UHFFFAOYSA-N 334.405 1.284 0 40 EDAB COC[C@@H](C)S(=O)(=O)NCC(C)(C)N1CCc2ccccc2C1 78814989 HXXFZAJWSHYGMN-CQSZACIVSA-N 340.489 1.778 0 40 EDAB COc1cc(CCC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cc(OC)c1 79015888 FVQXMAXPWGSWMT-HOTGVXAUSA-N 334.416 1.797 0 40 EDAB CCOC(=O)C[C@@H]1CC(=O)[C@@H](C(=O)OCC)C=C1C(=O)OCC 1579600 QPNGYBKPJGVMRZ-JQWIXIFHSA-N 326.345 1.197 0 40 EDAB COCn1cc(NC(=O)[C@@H](C)n2cc(Br)c(C)n2)cn1 2804704 UTXNWXPPXMBRQE-SECBINFHSA-N 342.197 1.954 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCc2cnn(C)c2)[C@H]1c1cccc(Cl)c1 71908823 HTOXITUYPOETFZ-GDBMZVCRSA-N 346.818 1.909 0 40 EDAB O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 104154261 SLVLJBWSJIGQQU-FPCVCCKLSA-N 341.367 1.748 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)C(=O)N1CCCC1 6004376 NKMDRCCMWGQKMB-GFCCVEGCSA-N 339.413 1.566 0 40 EDAB Cc1ccccc1C(=O)N[C@H](C(=O)NCc1nonc1C)C(C)C 71914169 WJRDQMYRIRLIOY-HNNXBMFYSA-N 330.388 1.757 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 8428196 FCTXDXUNDLCUJE-UHFFFAOYSA-N 344.795 1.939 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C(=O)[C@]1(C)CC1(Cl)Cl)C1CC1 71904475 FTBBKHVUPNTMDU-KCJUWKMLSA-N 328.261 1.994 0 40 EDAB CCNC(=O)CN(CC)C(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 54678147 SAEDKEONZLGOQI-MRXNPFEDSA-N 333.432 1.547 0 40 EDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCc1ccccc1 12549627 OBLLYRXQDFOXIB-UHFFFAOYSA-N 337.383 1.536 0 40 EDAB C[C@]12CC(=O)CC(CO)(CO)[C@@H]1[C@H](O)C[C@]13C[C@@H]4[C@@H](C[C@@H]12)[C@@]4(C)C3 100059603 WTOYNGQRGOLPNU-MAORFSPBSA-N 334.456 1.760 0 40 EDAB biogenic,in-vitro CCC[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1 24654107 LIKRPPAAERYNNM-OAHLLOKOSA-N 339.461 1.560 0 40 EDAB O=C(NC1CCN(C2CC2)CC1)c1ccc(=O)n(-c2ccccc2)n1 24747684 QWZUBJOFTCQQQJ-UHFFFAOYSA-N 338.411 1.589 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CCN1C(=O)COc2ccccc21 25047443 ASNAPPQGWIVCHX-UHFFFAOYSA-N 328.372 1.194 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCN2C(=O)CCC2=O)[C@@H]1C 25124574 SNGOJSWZHCIMEL-UPJWGTAASA-N 338.404 1.010 0 40 EDAB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)C(=O)O 1467761 CNKFCEUBFWDWJK-CPCISQLKSA-N 349.792 1.816 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2CCN(Cc3cc(C)no3)CC2)cc1 25303531 MLKJGDGUENDDKQ-KRWDZBQOSA-N 345.443 1.849 0 40 EDAB NC(=O)C[C@@H]1CCCN(C(=O)Nc2cnn(-c3ccccc3)c2)C1 97099203 KDHVGYDWLTTXGJ-ZDUSSCGKSA-N 327.388 1.992 0 40 EDAB C[C@@H]1Cc2cc(S(=O)(=O)N[C@H]3CCCn4ncnc43)ccc2O1 97013380 FKWACXSLOQMAAX-MFKMUULPSA-N 334.401 1.415 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)NCc1ccnc(N2CCCC2)c1 26000372 OUAFOVJFBGJIIW-ZDUSSCGKSA-N 342.399 1.710 0 40 EDAB Cc1nccc(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)n1 57075209 CFAHHPDKSQXCFV-CQSZACIVSA-N 327.392 1.043 0 40 EDAB CCCn1c(=O)c2sccc2n(CC(=O)N2CCC(C)CC2)c1=O 57478825 ZNKDLANLZKZYHD-UHFFFAOYSA-N 349.456 1.893 0 40 EDAB O=C1OCC[C@@H]1OC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 84397793 GZIDEYDGPFGDHU-HIFRSBDPSA-N 349.358 1.466 0 40 EDAB C[C@@H]1CN(C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)CCO1 10053936 HBEVACHTSIZGPW-GDBMZVCRSA-N 346.427 1.842 0 40 EDAB O=C(c1cccc(F)c1)N1CCN(Cc2nnnn2C2CC2)CC1 27465663 DIAOWWVJFZYRLP-UHFFFAOYSA-N 330.367 1.105 0 40 EDAB CCCCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 44787006 GAVCSBMIPYVJBN-AWEZNQCLSA-N 326.418 1.520 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N1CCCN(c2nc(C)cs2)CC1 58157773 MHLSAUAUGBRIDN-LBPRGKRZSA-N 339.465 1.198 0 40 EDAB O[C@H](COCc1cccs1)CN1CCN(c2ccccn2)CC1 12659719 RKSBSTHWXUXRAW-HNNXBMFYSA-N 333.457 1.843 0 40 EDAB CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)CNC(=O)C1CC1 58282198 JOOMFVPVJSSEIB-UHFFFAOYSA-N 340.427 1.994 0 40 EDAB COc1ccc(OC[C@H](O)CN2C(=O)[C@@H]3CCCCN3C2=O)cc1 58210616 RDSDNPHNPGMKAQ-DOMZBBRYSA-N 334.372 1.252 0 40 EDAB Cc1ccccc1-c1noc(=O)n1CC(=O)NC(=O)NC(C)(C)C 58280706 OPLLORLTSKQZCL-UHFFFAOYSA-N 332.360 1.436 0 40 EDAB O=C(O)C1=C[C@H](c2ccccc2)c2c(nc(N3CCCC3)[nH]c2=O)N1 102277086 KWAXHKYOKWSHOS-GFCCVEGCSA-N 338.367 1.896 0 40 EDAB CCN(C(=O)[C@H](C)Sc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 12751189 MFRDSOAJLFTZJG-QWRGUYRKSA-N 348.515 1.968 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2COc3ccccc3C2)C1 44934780 PEQSWQHHCXBHRZ-HUUCEWRRSA-N 326.400 1.772 0 40 EDAB COCC(=O)N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 44950713 WUECJKMJKHZYCY-NSHDSACASA-N 336.417 1.650 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CN2CCN(C(=O)C3CC3)CC2)c1C 58407309 FJYUFIKMVDVACQ-GOSISDBHSA-N 346.471 1.906 0 40 EDAB O=C(COc1ccccc1F)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 10928805 KSKOJJOFROYIEI-UHFFFAOYSA-N 329.287 1.373 0 40 EDAB Cc1cc(C(=O)NCCCN2CCCC2)ccc1NS(C)(=O)=O 10112494 GWYWEYVUVUDFQS-UHFFFAOYSA-N 339.461 1.582 0 40 EDAB O=C(OCCO)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 21713163 AFHKVJCBQSRMST-UHFFFAOYSA-N 338.385 1.317 0 40 EDAB Cc1cccc(CN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C2CC2)c1 59387410 NFEMHUFZCCVMTL-HNNXBMFYSA-N 336.457 1.263 0 40 EDAB CC(C)C(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1ccncc1 306140030 UHSXJGOCDOTJOF-OAHLLOKOSA-N 331.416 1.475 0 40 EDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)cc1 29653695 QIPXOWWIKULXBZ-LBPRGKRZSA-N 349.818 1.197 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N1CCCCC1 3327052 FKJLVEFNRXYQFX-GOSISDBHSA-N 343.383 1.229 0 40 EDAB Cc1cc(=O)n2nc(NC[C@@H](CO)Cc3ccc(F)cc3)sc2n1 48331887 ZAZGSQDGVYDRFU-LBPRGKRZSA-N 348.403 1.862 0 40 EDAB COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)NCC(F)(F)F)c1 8987921 CKKVLVZAYFXSDG-JTQLQIEISA-N 347.337 1.633 0 40 EDAB Nc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)[nH]c(=O)c1N 13117941 ZCQGEDJOJBDQGO-UHFFFAOYSA-N 343.771 1.458 0 40 EDAB Cc1ccc(N2CC[C@@H](C(=O)N3CCn4c(C)nnc4C3)C2=O)cc1 71185923 LKSTYUBPXKBLSY-HNNXBMFYSA-N 339.399 1.290 0 40 EDAB Cc1noc(Cl)c1CCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 72269007 RLYRJWAPGWSZJQ-UONOGXRCSA-N 341.839 1.627 0 40 EDAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2 13541768 OIQLFBDPJBYVPE-JOYOIKCWSA-N 326.399 1.064 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)Cc2n[nH]c3ccccc23)cc1 83937970 PRZKIZTXLBRBMK-KRWDZBQOSA-N 325.368 1.964 0 40 EDAB CN(C)c1ncccc1CNS(=O)(=O)c1cccc(C(=O)O)c1 65396395 WNFKKPURNFQDSG-UHFFFAOYSA-N 335.385 1.324 0 40 EDAB COC[C@H](C)NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 13942046 UAWUBHSLMFEYHI-UONOGXRCSA-N 342.461 1.609 0 40 EDAB COC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(N2CCNC2=O)cc1 65575746 LZGZQVGFXVICAU-AWEZNQCLSA-N 348.403 1.925 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCCC[C@@H]1C(N)=O 65513308 TWOQRIKPLNKXBA-QGZVFWFLSA-N 340.427 1.898 0 40 EDAB COC(=O)C1CCN(C(=O)CN2CCCc3cccc(F)c32)CC1 65563673 FVAYBDGIDHULQB-UHFFFAOYSA-N 334.391 1.990 0 40 EDAB O=C(CCN1C(=O)CCC1=O)Nc1nc(-c2ccccn2)cs1 21589696 SVOBMCREWKIQPY-UHFFFAOYSA-N 330.369 1.683 0 40 EDAB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)OCO3)C1 6497511 ASWHLEXWWIJNBV-LBPRGKRZSA-N 334.372 1.629 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)[C@H]2COc3ccccc3O2)c1 14124967 NMRXCDAEYBSTDM-OAHLLOKOSA-N 333.365 1.869 0 40 EDAB CC(=O)Nc1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 5577734 OFVPZILJWGVTMB-UHFFFAOYSA-N 336.351 1.994 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)C(C)C 6976247 QSVMFICPEYEGMB-SFHVURJKSA-N 345.443 1.699 0 40 EDAB COC(=O)c1cc(NC(=O)COC(=O)[C@@H]2C[C@H]2C)cc(C(=O)OC)c1 5938494 DHFVUNALFOWNFR-NOZJJQNGSA-N 349.339 1.398 0 40 EDAB NC(=O)C1CCN(C(=O)CN2CCc3sccc3[C@@H]2C2CC2)CC1 9460206 YJRHLFISZMORCW-KRWDZBQOSA-N 347.484 1.781 0 40 EDAB CCN(Cc1cccc(F)c1)C(=O)Cn1nnc2ccccc2c1=O 7763918 SKHMPMLSUKHXRS-UHFFFAOYSA-N 340.358 1.979 0 40 EDAB O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCC2(CC1)OCCO2 69039445 HYPLUVKZXHUDPY-UHFFFAOYSA-N 349.412 1.400 0 40 EDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCCCCC1 8181451 XTQBHAZYRAGEES-UHFFFAOYSA-N 335.429 1.518 0 40 EDAB Cc1cccc2c1C(=O)N(C)[C@H](c1cnc(N3CCOCC3)nc1)N2 69347826 IQQRYCLMIHAYHE-MRXNPFEDSA-N 339.399 1.818 0 40 EDAB COc1ccccc1NC(=O)[C@@H](C)N[C@]1(C)CCS(=O)(=O)C1 8315149 IGQLZZPIXKBSPX-IAQYHMDHSA-N 326.418 1.189 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3nccn3C)[C@H](C)C2)on1 69486282 BATISTBMIVPFCG-ZIAGYGMSSA-N 346.435 1.250 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1ccc3c(c1)NC(=O)[C@H](C)S3)C2 69461906 URIIQKYHCYUIOC-VIFPVBQESA-N 343.412 1.675 0 40 EDAB C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(Br)cn2)C(=O)O1 69569532 RLXLSYCJCXUYQK-WPRPVWTQSA-N 342.193 1.418 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)C3CC3)ccc21 69698270 XXFPQGSBEHGBFO-ZDUSSCGKSA-N 329.356 1.471 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C2OCCO2)c1 69633300 JYMJUPXQACCRPF-CQSZACIVSA-N 339.413 1.458 0 40 EDAB C[C@H](c1cccc(F)c1)S(=O)(=O)CC(=O)NC[C@@H]1CCCO1 69620785 HNSOKYZMLNJXJW-RISCZKNCSA-N 329.393 1.597 0 40 EDAB Cc1ccc(OC[C@H](C)NC[C@H]2CNc3c(C(N)=O)cnn3C2)cc1 69707467 HWVJNFNVEMDGTO-KBPBESRZSA-N 343.431 1.389 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cccc(Cl)c2)CC1 69739908 QRDSPJIOLALFPJ-OAHLLOKOSA-N 326.824 1.495 0 40 EDAB Cn1c(CN(Cc2ccccc2)CC2CCC2)cc(=O)n(C)c1=O 71824967 QCQOAZVJJUEZET-UHFFFAOYSA-N 327.428 1.886 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)Nc1cc(C2CCCC2)[nH]n1 69980396 LAXCAWSANGEWGS-UHFFFAOYSA-N 338.371 1.811 0 40 EDAB C[C@H](O)CN1CCN([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 69948995 HUDUNUIZKRWRTD-ZMSDIMECSA-N 347.459 1.013 0 40 EDAB O=C(c1ccc(N2CCCC2)nn1)N1CCC[C@@H]1Cn1cccn1 71872026 DCYNYNDOXMPTJI-CQSZACIVSA-N 326.404 1.578 0 40 EDAB Cn1c(=O)c2c(ncn2CCOc2cccc(Cl)c2)n(C)c1=O 8778750 HKSRZKBIXUNLOM-UHFFFAOYSA-N 334.763 1.166 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)Nc2cccc3c2OCCO3)C1 71854923 DBDCTRXOHBENKW-LLVKDONJSA-N 335.360 1.810 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 71847055 QFAZYAQXMACCAF-KGLIPLIRSA-N 349.435 1.841 0 40 EDAB CCN1CCN(c2ccccc2NC(=O)CCCn2cncn2)CC1 71857313 FZNRVORYSSMTND-UHFFFAOYSA-N 342.447 1.839 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)Cc2nc(-c3ccco3)oc2C)CC1 71881014 RHPWBFQPSZFGDF-AWEZNQCLSA-N 347.415 1.701 0 40 EDAB C[C@@H]1CN(CC(=O)N2CCN(c3ccccn3)CC2)CC(C)(C)O1 71831068 AERDNTYZGQQZQR-OAHLLOKOSA-N 332.448 1.230 0 40 EDAB CC1CCC(N2C[C@@H](C(=O)N3CCc4c(nnn4C)C3)CC2=O)CC1 72306437 PBTGGRKPRBTPNR-MOKVOYLWSA-N 345.447 1.127 0 40 EDAB Cc1ccc(-c2noc(CN3CCc4nn(C)c(=O)cc4C3)n2)cc1 72302452 QPWYJGZTDFWQEE-UHFFFAOYSA-N 337.383 1.697 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CCO[C@@]2(CCOC2)C1 95457462 QBASSSNDSLKUOQ-DYVFJYSZSA-N 334.372 1.553 0 40 EDAB O=C(Nc1cncc(Br)c1)N[C@H]1CCc2ncnn2C1 120319158 XDDYOYYMSLYVJB-VIFPVBQESA-N 337.181 1.572 0 40 EDAB Cc1ccccc1-n1nccc1NC(=O)C(=O)NCCc1ccccn1 95976784 IGNFLVMRLXMXGQ-UHFFFAOYSA-N 349.394 1.873 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1c(F)cccc1CO 95980527 LIBPMJBSYWHKOL-UHFFFAOYSA-N 341.408 1.977 0 40 EDAB O=C(Nc1ccc(-n2cccn2)cc1)c1cn(C2CCNCC2)nn1 95947740 XMWQWVXXSCUBLH-UHFFFAOYSA-N 337.387 1.641 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2COc3ccccc3O2)c1C 9951997 HVSCZHQFUMPSLN-LBPRGKRZSA-N 344.367 1.988 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@@H]1CCCCO1 75123793 QTFUFSXGEGAOAM-ZDUSSCGKSA-N 342.399 1.368 0 40 EDAB COc1ccc([C@H](CNC(=O)c2ccc(C)[nH]c2=O)N(C)C)cc1 75118338 OUZDEOVLCOJUOL-INIZCTEOSA-N 329.400 1.725 0 40 EDAB NC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1cn(Cc2ccccc2)nn1 89841047 ZVQFFPJBBQKUCQ-LSDHHAIUSA-N 341.415 1.490 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cscn1)n2CCOC 89955474 ALUIGEHAKUCAKK-UHFFFAOYSA-N 349.416 1.456 0 40 EDAB O=C(Nc1cccc(OCCn2cccn2)c1)N[C@@H]1CCCNC1=O 75582215 MWVNJWNYUDWQNB-OAHLLOKOSA-N 343.387 1.362 0 40 EDAB O=C(CNC(=O)[C@H]1CCCN1c1nccs1)NCc1ccco1 75516234 XWMABASQVQYJEH-GFCCVEGCSA-N 334.401 1.138 0 40 EDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 39986228 LXZZRAUORBSODN-UHFFFAOYSA-N 348.852 1.838 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@@]2(N)CO)cc1 218561165 QHWBIMUMVFPTSP-IKGGRYGDSA-N 335.400 1.764 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CO)cc1 218445996 FQJMCVYKXYCBSB-KZNAEPCWSA-N 331.437 1.933 0 40 EDAB CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccc4oc(O)nc4c3)C[C@@H]2C1 1009789678 YSPLEYBFPIDNKH-MELADBBJSA-N 343.383 1.910 0 40 EDAB O=C(CN1CCN(C(=O)COc2ccc(F)cc2)CC1)c1ccco1 38671197 HINPDEXYNYSMHR-UHFFFAOYSA-N 346.358 1.825 0 40 EDAB CS(=O)(=O)CCN1CCN(Cc2cc(F)ccc2Cl)CC1 189262607 GOWZOWIHAIXVIG-UHFFFAOYSA-N 334.844 1.641 0 40 EDAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1cccnc1=O 670959915 JBBSQOOKDOWULT-UHFFFAOYSA-N 341.346 1.213 0 40 EDAB Cn1cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c2ccccc21 32100541 GMJIBZOFRVOWPO-QGZVFWFLSA-N 341.411 1.642 0 40 EDAB CN(C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)C1CCCC1 38754401 WYPURICCKJUTJK-UHFFFAOYSA-N 339.461 1.700 0 40 EDAB COc1cc(NC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)ncn1 182146007 KGJLLPQTDQHLGD-VIFPVBQESA-N 333.314 1.491 0 40 EDAB C[C@@]1(C(=O)N2CCOCC2)CN(CCCc2ccccc2)CCO1 72379585 OJXCODNZXWSBKM-IBGZPJMESA-N 332.444 1.569 0 40 EDAB C[C@@H](C(=O)NCCc1cccs1)n1nnc2ccccc2c1=O 44450549 SBRUOBIVOIWUIO-NSHDSACASA-N 328.397 1.773 0 40 EDAB Cn1c(C(F)(F)F)nn(CCNC(=O)NCc2ccccc2)c1=O 85555786 NFCZOILCVDBXNY-UHFFFAOYSA-N 343.309 1.100 0 40 EDAB CCN(CC)CCNC(=O)Cn1cc(COc2ccc(F)cc2)nn1 227160445 OIWBUUAWOHBAJZ-UHFFFAOYSA-N 349.410 1.454 0 40 EDAB Cn1ncc2c(N)nc(N3C[C@@H](O)C[C@H]3c3ccc(F)c(F)c3)nc21 569513109 OGQNEUURMBKLDC-ZANVPECISA-N 346.341 1.536 0 40 EDAB COCCN1C[C@H](C(=O)Nc2cccc3c(O)nccc23)CC1=O 570604235 VEKWEOMSWNNXQV-LLVKDONJSA-N 329.356 1.374 0 40 EDAB COc1cccc(CN2C[C@@H]3Oc4ncccc4C(=O)N(C)[C@@H]3C2)c1 514289295 HPZRKNBRZAACAU-SJORKVTESA-N 339.395 1.808 0 40 EDAB biogenic,in-vitro O=C(O)C1CCN(S(=O)(=O)c2nc3ccccc3s2)CC1 85397257 AMGKRFSJEGYUPP-UHFFFAOYSA-N 326.399 1.782 0 40 EDAB O=C(COc1ccc(Cl)cc1)NCCCc1cnc2ncnn2c1 225642291 AXOQCSLBORPCPS-UHFFFAOYSA-N 345.790 1.906 0 40 EDAB NC(=O)C[C@H]1CCCN(C(=O)NCCc2cc(F)ccc2F)C1 96447015 CHJYSPJMBZIWDA-LLVKDONJSA-N 325.359 1.804 0 40 EDAB O=C(c1cccnc1)N1CCC[C@@]2(CCN(S(=O)(=O)C3CC3)C2)C1 96047068 XULZLJPZOVEWBJ-QGZVFWFLSA-N 349.456 1.502 0 40 EDAB C[C@H](NC(=O)NCCc1nc(C(F)(F)F)cs1)C(=O)N(C)C 96439263 LLQYTBWKHGHUHD-ZETCQYMHSA-N 338.355 1.480 0 40 EDAB CC(C)CN1CCN(C)C(=O)C12CCN(C(=O)c1cccn1C)CC2 96230265 VZYMOFANNARYTE-UHFFFAOYSA-N 346.475 1.430 0 40 EDAB CCS(=O)(=O)N1CCc2c(c(COc3cccnc3)nn2C)C1 96084914 MTTNDAFCWJHGLE-UHFFFAOYSA-N 336.417 1.102 0 40 EDAB COc1ccc(CNC(=O)NCC[S@@](C)=O)c(C(F)(F)F)c1 96408849 ADDWRDQYZXPNDG-QFIPXVFZSA-N 338.351 1.892 0 40 EDAB CN(Cc1cccnc1)[C@@H]1CCN(C(=O)c2ccco2)[C@H](C(=O)O)C1 96069111 ZNBFTOFOSAWBJH-CABCVRRESA-N 343.383 1.864 0 40 EDAB CC(C)Cn1cc(N2C[C@H](C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cn1 96192182 PNDDGNUPUXDJQG-SOUVJXGZSA-N 348.447 1.528 0 40 EDAB O=C(c1ccnnc1)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 96158824 AJTVDVVIRUPWFE-UHFFFAOYSA-N 342.399 1.577 0 40 EDAB COCCN1CCC2(CC1)CN(Cc1cccc(C)n1)C(=O)CO2 96070228 RINLRVSUPWHWCH-UHFFFAOYSA-N 333.432 1.230 0 40 EDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)c4ccnnc4)CC3)O2)n1 96109948 BBUWXHMXEUBSGO-ZDUSSCGKSA-N 329.360 1.695 0 40 EDAB CO[C@H](C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 96414025 FUJXHPVEIZRQGL-YPMHNXCESA-N 330.306 1.654 0 40 EDAB CS(=O)(=O)N[C@@H]1COCCC12CCN(C(=O)C1=CCCC1)CC2 96215965 HVGVZOKFZKOMFL-CQSZACIVSA-N 342.461 1.044 0 40 EDAB O=C(CC1(O)CCCC1)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 583622017 WUZXYNFHSNIZHR-GJZGRUSLSA-N 336.411 1.200 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3OCCN(CCN4CCCC4)[C@@H]3C2)c(C)o1 96248721 DGIPWODFCDALNT-MSOLQXFVSA-N 347.459 1.517 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Nc1cn[nH]c1 96431269 XSRLDHPLSDVKPO-AWEZNQCLSA-N 328.420 1.742 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(c2ncc(F)cn2)C[C@H]2OCC[C@H]21 96038898 SXJFPBAWRCDJQI-RRFJBIMHSA-N 346.362 1.366 0 40 EDAB CC(C)CN1C(=O)[C@@]2(C[C@H]2C(=O)NCCN(C)C)c2ccccc21 96243464 GBNBIGZWGQKBBX-KXBFYZLASA-N 329.444 1.625 0 40 EDAB COCCNc1ccnc([C@H]2COCCN2C(=O)Cc2ccco2)n1 96216247 MYKNFIWUEQLMGL-CQSZACIVSA-N 346.387 1.271 0 40 EDAB Cc1cccc(C(=O)N2CC[C@@]3(COCc4cncnc43)C2)c1O 248112023 YIXHDDMMCKASJI-SFHVURJKSA-N 325.368 1.805 0 40 EDAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@H](O)COCc1ccccc1F 245263913 BMYBLDKAMZLJRA-RRFJBIMHSA-N 335.375 1.878 0 40 EDAB COc1ccnc(C[S@](=O)c2nc3ccc(O)cc3[nH]2)c1OC 605692792 JDTUAEPGGXGQMA-QHCPKHFHSA-N 333.369 1.989 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cccc(Cl)c1 24690221 XVVHYARQZNUEHE-CYBMUJFWSA-N 330.837 1.884 0 40 EDAB O=C(NO[C@H]1CCCCO1)c1c[nH]nc1I 585132444 WVRBHYSRNHTWMV-ZETCQYMHSA-N 337.117 1.202 0 40 EDAB CN(C)c1ccc([S@](C)(=O)=NC(=O)[C@@H]2CCc3nn[nH]c3C2)cc1 585134462 VBSWNNXHSNCNGI-JNDILOIQSA-N 347.444 1.659 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)c2ccccc2)C1 257341769 ZLXLSAVNKXSGDA-CYBMUJFWSA-N 347.440 1.908 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCOC[C@@H]1CCc1cnccn1 257285367 PGTFJFREPUIMLX-KRWDZBQOSA-N 347.440 1.640 0 40 EDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1cn2c(C)cccc2n1 257264316 LTWHXEFAKMJOSI-AWEZNQCLSA-N 325.372 1.888 0 40 EDAB Nc1nccnc1C[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 257207432 BHSKIACIEVWQGK-LLVKDONJSA-N 338.458 1.764 0 40 EDAB CN(C)C(=O)CN1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 257232101 GJKXVQNNYAHGBI-IKGGRYGDSA-N 329.444 1.949 0 40 EDAB C[C@H]1CCCN(c2nc(O)c3c(n2)CN(C[C@H]2CCOC2)CC3)C1 257247920 JBEDGBCEBIPOIS-UONOGXRCSA-N 332.448 1.813 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)Cn2nc(C)cc2C)n1 257327172 XAHGZRWJURKPOM-AWEZNQCLSA-N 344.419 1.240 0 40 EDAB COC(=O)c1ccc(CN2CCCN(Cc3cnn(C)c3)CC2)n1C 602466269 OHWGJEITKXBEIV-UHFFFAOYSA-N 345.447 1.253 0 40 EDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(N[C@H]1c3ccccc3C[C@@H]1O)C2 1615001043 KGUCYXCTSAMSDN-OTRWWLKZSA-N 336.457 1.189 0 40 EDAB O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)N1CCOC2(CCC2)C1 1615590899 QYKNMTINZRACBH-JSGCOSHPSA-N 333.354 1.493 0 40 EDAB CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C(=O)O)C2CCCC2)c1 1615555586 WLKVTSCERLSVTF-ZDUSSCGKSA-N 340.401 1.424 0 40 EDAB COc1cc([C@H](C)NC(=O)c2ncoc2C)ccc1S(C)(=O)=O 1615615779 SMWNKGQLYUYFRQ-VIFPVBQESA-N 338.385 1.886 0 40 EDAB CN(Cc1nnc2n1CCNC2=O)C(=O)[C@@H]1C[C@H]1C1CCCCC1 1616038801 QWNPBYPNFRPYJO-QWHCGFSZSA-N 331.420 1.196 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@@H](O)c2cncs2)cnc1Cl 1616039269 ZHHQVUHTZVREKM-SECBINFHSA-N 333.822 1.512 0 40 EDAB CO[C@@]1(CNC(=O)C(=O)NCc2ccc(F)cc2)CCSC1 96097728 YBIUMHMAMNPDNE-OAHLLOKOSA-N 326.393 1.080 0 40 EDAB CC[C@H](C)N1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 585100731 UXAXLPUBSLEUFS-GOEBONIOSA-N 330.494 1.677 0 40 EDAB O=C(NC1CCC1)[C@H]1C[C@@]12CCN(C(=O)Cc1ccc(F)cn1)C2 585101517 LIVTUTYNAJTKOD-CRAIPNDOSA-N 331.391 1.671 0 40 EDAB CCOCC(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@@H]1C 585096842 BORDKXLZRMGLKB-LBPRGKRZSA-N 334.420 1.034 0 40 EDAB CC(C)CN1C[C@H]2C(=O)NC3(CCN(c4cnccn4)CC3)[C@@H]2C1 585106230 XVCDTTUTHQCDPO-HUUCEWRRSA-N 329.448 1.149 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)c3c(C)noc3C)CC2)n1 69518121 OGIYXZADBQSWSU-UHFFFAOYSA-N 345.403 1.751 0 40 EDAB Cc1cc(CCC(=O)NCc2cccnc2)nc([C@@H]2CCCNC2)n1 72366960 LOIPWBMAXLRBRZ-MRXNPFEDSA-N 339.443 1.896 0 40 EDAB CC[C@@H]1c2ccccc2CN1C(=O)NCc1nnc2n1CCNC2=O 896448313 HEFUWHGNTOFAMC-CYBMUJFWSA-N 340.387 1.198 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)N=c1[nH]c2ccccc2[nH]1 57125188 BCXNRHUTCCBBBA-UHFFFAOYSA-N 330.294 1.632 0 40 EDAB O=C(COc1ccc(F)cc1)N1CCN(c2nccs2)C(=O)C1 1565523125 YYDOYMNRIQEUHZ-UHFFFAOYSA-N 335.360 1.536 0 40 EDAB Cc1nnc2ccc(N3CCN(Cc4noc(C5CC5)n4)CC3)nn12 75129251 SGVBADJVQFJTTQ-UHFFFAOYSA-N 340.391 1.015 0 40 EDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCCC[C@@H]1CN1CCOCC1 75969134 AKAPLSHOJIZLNK-QWHCGFSZSA-N 337.386 1.240 0 40 EDAB COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c2ccccc12 5018761 YPAQBCTZHIZNOM-MDWZMJQESA-N 326.308 1.826 0 40 EDAB CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)[C@H]1CC(=O)N(C)C1 12145058 VQJJJSANQOGIIY-GXTWGEPZSA-N 329.404 1.050 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NCC1CC1 12146259 ZPAYZPYLOHXJLO-OAHLLOKOSA-N 327.384 1.164 0 40 EDAB CS(=O)(=O)Nc1nc(CC(=O)Nc2ccc(O)cc2)cs1 12324085 VJONFCKWCZGSGS-UHFFFAOYSA-N 327.387 1.401 0 40 EDAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nccs2)s1 13985310 YHPIDQHYXUIESL-UHFFFAOYSA-N 331.444 1.549 0 40 EDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCc1cccs1 14022449 ZVLFPARZBJJYIA-UHFFFAOYSA-N 330.417 1.286 0 40 EDAB Cc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)O)CC3)C2=O)cc1C 17084705 XJMSOWDFAOFPKB-HNNXBMFYSA-N 330.384 1.732 0 40 EDAB CN1C(=O)C[C@H](N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O 18122885 OXZXWLKPZHTVLO-ZDUSSCGKSA-N 342.226 1.873 0 40 EDAB C[C@@H](c1cc(=O)[nH]c(N(C)CCN(C)C)n1)n1cnc2ccccc21 19458298 TZFFEMQMVYNUAM-ZDUSSCGKSA-N 340.431 1.727 0 40 EDAB O=C(c1cnc(N2CCOCC2)nc1)N1CC[C@@H](c2ccccc2)C1 19657044 JINQNKHVJCXBPT-MRXNPFEDSA-N 338.411 1.943 0 40 EDAB Cc1cccc(OC[C@@]2(O)COCCN(Cc3cn(C)cn3)C2)c1 643914331 OYFOLDZCIQJBHP-SFHVURJKSA-N 331.416 1.371 0 40 EDAB CC(C)(C)NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3600944 ADVBOIBICMSFEE-GOSISDBHSA-N 329.400 1.685 0 40 EDAB Cc1nsc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)n1 1888854079 LWEQBBXTBJAEPM-NXEZZACHSA-N 336.396 1.362 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 22189612 DEFNXYOIKVIGQR-RYUDHWBXSA-N 326.418 1.153 0 40 EDAB O=C(CC1CCOCC1)N1CC[C@H]2C[C@@]21C(=O)NCc1cccnc1 2056226018 HWZAOFSLCDPOIS-LPHOPBHVSA-N 343.427 1.506 0 40 EDAB Cc1ccc(NC(=O)NCCOCCN2C(=O)CCC2=O)cc1C 1565522281 FRYSIJOSVMWMDP-UHFFFAOYSA-N 333.388 1.591 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCc3onc(CN4CCCC4)c3C2)no1 2055730183 JJBRLGKSZYPFLZ-LBPRGKRZSA-N 330.388 1.854 0 40 EDAB O=S(=O)(Cc1cccc(F)c1)N1CCN(CC(F)(F)F)CC1 44451829 KYJOCGRXAQEHOA-UHFFFAOYSA-N 340.342 1.835 0 40 EDAB Cn1nc(C(=O)N2CCN(CC(F)(F)F)CC2)c2ccccc21 527751370 WGSCAKBQWVALAU-UHFFFAOYSA-N 326.322 1.893 0 40 EDAB CCOc1ccc(NC(=O)NCc2nc(OC)nc(N(C)C)n2)cc1 575606549 JHAZATVGKWZHKP-UHFFFAOYSA-N 346.391 1.667 0 40 EDAB O=C(NCC(=O)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2)c1ccccc1 618254973 ITVVGILZRMFLDE-GJZGRUSLSA-N 339.399 1.403 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cccc(F)c1 40162007 JKLSPDXZSAVCHG-DYZYQPBXSA-N 333.363 1.723 0 40 EDAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cc(C2CC2)[nH]n1 40497477 GVAJQODLLHHKPO-UHFFFAOYSA-N 327.388 1.449 0 40 EDAB O=S(=O)(NCCc1ccc(Cl)cc1Cl)N1CCOCC1 40488193 BWCJQACTYIRFCZ-UHFFFAOYSA-N 339.244 1.703 0 40 EDAB Cc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)o1 40485519 LNAHUWVUQDYLAM-UHFFFAOYSA-N 343.431 1.864 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCOc2cccc(C)c2)o1 31521668 KPZHFVDIMRVSKO-UHFFFAOYSA-N 338.385 1.305 0 40 EDAB NC(=S)c1ccc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1 51483922 KSHHQNXJBLQORA-ZDUSSCGKSA-N 331.441 1.452 0 40 EDAB CCC(C)(C)NC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)o1 32777791 WGCQQSILBAMPCV-VIFPVBQESA-N 347.462 1.369 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCCOCc1ccco1 102605070 UUQVFCFEMCDPLX-GJZGRUSLSA-N 348.399 1.478 0 40 EDAB Cc1ccc(-c2noc(CS(=O)(=O)CC(=O)NCC3CC3)n2)cc1 32929893 RJJDPCGOUITUMQ-UHFFFAOYSA-N 349.412 1.486 0 40 EDAB CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(C)C 21899309 SPMQARREESCVSM-IEZBTEQYSA-N 342.486 1.787 0 40 EDAB CCOc1ccccc1C(=O)NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 103110948 KMBNQASMEILRAN-GVARAGBVSA-N 326.352 1.537 0 40 EDAB Cn1c(Br)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 180687 WCIOYEORQHPSOL-UHFFFAOYSA-N 349.188 1.245 0 40 EDAB C[C@@]1(C(=O)N2CCOCC2)CC1(Br)Br 2771473 JTSRXHNLCJYQRZ-QMMMGPOBSA-N 327.016 1.741 0 40 EDAB CCO[C@@H](C)c1nc(CN2CCN(S(=O)(=O)CC)CC2)cs1 76724070 QEBCKGNVZABXSI-LBPRGKRZSA-N 347.506 1.708 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCN(c2cnccn2)CC1 46829840 KJNIMTBODGVUAD-HOTGVXAUSA-N 347.463 1.904 0 40 EDAB CN1C(=O)C(=O)N(CC(=O)Nc2ccc3c4c(cccc24)CC3)C1=O 71903360 FFOVCSRIQRDERG-UHFFFAOYSA-N 337.335 1.298 0 40 EDAB Cc1ccc(CC(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)s1 78900722 XGUWKPKHFKKMIX-NSHDSACASA-N 332.429 1.827 0 40 EDAB NC(=O)CCn1ccc(NC(=O)COc2ccc(F)c(Cl)c2)n1 71910443 IZTRAQKQMXSVLV-UHFFFAOYSA-N 340.742 1.569 0 40 EDAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)C[C@H](C)O1 22304076 HNCGDWIHIYWFCJ-QWRGUYRKSA-N 348.428 1.693 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1C 53793277 UCXWVPYTERZBFV-UHFFFAOYSA-N 339.395 1.449 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O 22777060 SYYXHAJGLMSHOP-KRWDZBQOSA-N 348.472 1.544 0 40 EDAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 6205710 RWCPFVXSYQIXPT-SSDOTTSWSA-N 325.217 1.796 0 40 EDAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cnn(C)c2C)NC(=O)N1 6527548 RPGLSNJOPBVBAK-OAHLLOKOSA-N 325.372 1.995 0 40 EDAB O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccc(=O)[nH]c1 42969629 XWGZCTBOARIUKU-UHFFFAOYSA-N 327.262 1.641 0 40 EDAB O=C1NCCN(Cc2cccs2)[C@@H]1CC(=O)N1CCCCCC1 55035954 PMUXVGOXSAVOKY-OAHLLOKOSA-N 335.473 1.841 0 40 EDAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(=O)n(-c2ccccc2)n1 24545927 QHZMOWBPSDBKHS-UHFFFAOYSA-N 347.334 1.654 0 40 EDAB O=C(NCCN1CCOCC1)NCc1ncc(-c2ccccc2)o1 47618329 KUOWXCRVWGBHAE-UHFFFAOYSA-N 330.388 1.473 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1=O 24993976 LOWKBJDSRRKNTH-HNNXBMFYSA-N 325.368 1.629 0 40 EDAB Cc1cc(F)ccc1NC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 71920168 ANIIFQMHONNEBG-ZDUSSCGKSA-N 348.422 1.951 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2cccc(Cl)c2)[nH]n1 25099992 XPONOTFTHKXMBO-NSHDSACASA-N 339.804 1.647 0 40 EDAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc2c(s1)CCC2 102884953 OYVAPILGWVVVGA-GHMZBOCLSA-N 345.424 1.912 0 40 EDAB CCc1nc(CN(C)[C@@H]2CCN(CC(=O)NCc3ccco3)C2)no1 72300015 LUSCIUBUEJTIHL-CYBMUJFWSA-N 347.419 1.048 0 40 EDAB COc1cccc(C(=O)NCCCS(C)(=O)=O)c1OC(F)F 56417494 GANYZNRKBRJFAN-UHFFFAOYSA-N 337.344 1.461 0 40 EDAB C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccccc1 26281015 GNSJTGZSQGGVMX-GFCCVEGCSA-N 325.434 1.471 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1 97035173 AVNPJRPKALJMMK-QMMMGPOBSA-N 337.742 1.020 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@@H]3CCCc4ccccc43)CC2)N1 44385259 AQBJULSTCREMNI-CQSZACIVSA-N 327.384 1.307 0 40 EDAB CCn1cnnc1CNC(=O)N[C@@H](C)c1cc(OC)ccc1OC 48153802 KYFVNXPVJLEWBS-NSHDSACASA-N 333.392 1.876 0 40 EDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 62119939 LHLLIDOLJRHXPM-ZCFIWIBFSA-N 340.220 1.606 0 40 EDAB CCCN1CCC[C@H]1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 58061078 VPZIVAZOYBGXOP-KBXCAEBGSA-N 344.415 1.554 0 40 EDAB O=C(N[C@H]1CN(c2ncccn2)[C@@H]2CCCO[C@H]12)c1cccnc1 107206971 VZTAOCAVVJVRAY-RRFJBIMHSA-N 325.372 1.038 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 44775285 IYTMNSYWEYBELO-AWEZNQCLSA-N 340.387 1.096 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)C[C@H]3C=CCC3)CC2)no1 36022751 UQLHHWIHNWCSDJ-AWEZNQCLSA-N 332.404 1.422 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CN1CCSC1=O)c1ccccc1F 44890300 MEBVNCNSRUQWKR-CQSZACIVSA-N 348.403 1.934 0 40 EDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)NCCn1ccnc1 44895888 XCISYMFZDOEYBI-UHFFFAOYSA-N 334.763 1.078 0 40 EDAB COc1c(CNCc2cccc(CS(C)(=O)=O)c2)c(C)nn1C 58297485 TXYSHFKNUICRNT-UHFFFAOYSA-N 337.445 1.572 0 40 EDAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1C 72294075 LAQKHVSEEFLDCA-WBVHZDCISA-N 326.400 1.564 0 40 EDAB O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)N1CCS(=O)(=O)CC1 72294069 RGNGDJRFSQJQHM-STQMWFEESA-N 328.821 1.636 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CCCN(c3nccs3)C1)C2 72240563 SOKMHHLTBISXES-KGLIPLIRSA-N 345.472 1.996 0 40 EDAB Cc1cc(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)sc1C 44916311 ZFGPNPQDKJHDME-LSDHHAIUSA-N 338.473 1.832 0 40 EDAB COc1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 21559231 KHCJCZFVVVRPMA-SJKOYZFVSA-N 334.372 1.155 0 40 EDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2cscn2)cn1 107206052 ONVQJLDSIBKUFF-CHWSQXEVSA-N 331.401 1.287 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)cc1 45365008 AURGKCPBGBDQIS-LLVKDONJSA-N 338.367 1.421 0 40 EDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)Cn1cccn1 11118653 RYGGQPPESFJGQN-GFCCVEGCSA-N 342.355 1.190 0 40 EDAB O=S(=O)(NC[C@@H]1CCOC1)c1cccc(OC(F)(F)F)c1 45742999 HTXRXWKIFSKNNF-VIFPVBQESA-N 325.308 1.900 0 40 EDAB COc1cc2[nH]c(O)c(C(=O)Nc3cccnc3)c(=O)c2cc1OC 8974288 BFVNPRAQEIBVBM-UHFFFAOYSA-N 341.323 1.898 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)C2)c1 71185763 PWYFTTRVTDDUBJ-AWEZNQCLSA-N 339.399 1.849 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCSCC2)C1=O 49213842 NYNDPYXDWYWJLH-QGZVFWFLSA-N 347.440 1.419 0 40 EDAB CC(=O)Nc1ccc2c(c1)nc(CCNC(=O)[C@@H]1CCCO1)n2C 13685686 SUBDZZPUVJCLJH-HNNXBMFYSA-N 330.388 1.369 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C(C)C)CC2)c1 14094137 SYPCISNPMNSYNR-UHFFFAOYSA-N 338.429 1.378 0 40 EDAB O=C(CS(=O)(=O)NC[C@H]1CCCO1)Nc1ccc2c(c1)CCC2 65548098 AHRMXNBEYOEODT-OAHLLOKOSA-N 338.429 1.212 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N2CCc3ccccc3C2)c1 14180548 DWCZYGCHCQDQMK-UHFFFAOYSA-N 330.409 1.793 0 40 EDAB CN1C(=O)N(C)C(=O)C2(Cc3cccc(F)c3N3CCC[C@H]32)C1=O 5424315 UQZGVYBEBWIJLJ-LBPRGKRZSA-N 331.347 1.387 0 40 EDAB NS(=O)(=O)[C@H]1CCN(C(=O)C2(c3ccccc3F)CCCC2)C1 601746403 NEVDOZTUMIPSOX-LBPRGKRZSA-N 340.420 1.527 0 40 EDAB CCOC(=O)/C=C1\SCC(=O)N1CCSc1nncs1 7815954 RZULGITXZMCXLI-UITAMQMPSA-N 331.444 1.610 0 40 EDAB Cc1nnc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)s1 16695116 XLEGTABJPMSDMH-XLKFXECMSA-N 337.405 1.286 0 40 EDAB NC(=O)c1ccc(N2CC[C@@H](OCCCc3ccccc3)C2)nn1 96456746 XUBDYQIEHMACOS-OAHLLOKOSA-N 326.400 1.804 0 40 EDAB CN(C)C(C)(C)CNC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C 69350308 SVCQTKWMOHWEJE-NSHDSACASA-N 331.482 1.753 0 40 EDAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc2c(c1)OCCO2 8394174 ZVPAISNTUXFBEA-UHFFFAOYSA-N 330.340 1.439 0 40 EDAB CN(Cc1nccn1C)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 69492811 LRWBYFCARNKQJI-GFCCVEGCSA-N 330.363 1.571 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(C(=O)[C@H](C)n2cncn2)CC1 69492804 UQCRSWWDMCHTEL-HNNXBMFYSA-N 341.415 1.061 0 40 EDAB CC(C)C[C@H](C)S(=O)(=O)N1CCC(CN2CCOCC2)CC1 69696415 MZNUMCTYMMDMMB-HNNXBMFYSA-N 332.510 1.795 0 40 EDAB Cc1cc(CS(=O)(=O)NCCN2CCc3sccc3C2)no1 69618077 QYTKFSJMXDVLJP-UHFFFAOYSA-N 341.458 1.522 0 40 EDAB COc1cccc(CNC(=O)CN2CCC[C@@H](Cn3cncn3)C2)c1 69770326 ZLFQFSGUIAUBSY-MRXNPFEDSA-N 343.431 1.315 0 40 EDAB CN1CCO[C@H](CNCC(=O)N(Cc2ccccc2F)C2CC2)C1 69742433 DBZMMBCSEQQEFJ-MRXNPFEDSA-N 335.423 1.237 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)NCCc2ccc(N(C)C)cc2)C1 69743394 WTWGCHIJASMAQG-HNNXBMFYSA-N 348.447 1.825 0 40 EDAB CCC(=O)N1CSC[C@@H]1C(=O)NCCN(C)C(=O)OC(C)(C)C 69779784 YWJZLHHANJHXKG-LLVKDONJSA-N 345.465 1.281 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccccc2Br)CC1 71870964 LPKKNFOPXAGVGD-NSHDSACASA-N 327.222 1.588 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H](C(C)C)n3cncn3)CC2)on1 71819704 XUXVKDISZCASCF-OAHLLOKOSA-N 332.408 1.116 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H](C)N2CCOCC2)n1 71865594 UJYMFIXNRSDDBH-IAGOWNOFSA-N 334.464 1.602 0 40 EDAB CNC(=O)NC(=O)CCN1CCN([C@H](C)c2ccccc2OC)CC1 95350163 LHQZHPPPVYNMBV-CQSZACIVSA-N 348.447 1.220 0 40 EDAB O=C(NCCn1cccc1)c1ccncc1I 95447533 NLURWZFWYICSHY-UHFFFAOYSA-N 341.152 1.918 0 40 EDAB Cc1ccc([C@H](C)NC(=O)N(C)C[C@@H](O)CN2CCN(C)CC2)cc1 95411167 MFUKHGURXSAMTD-FUHWJXTLSA-N 348.491 1.306 0 40 EDAB NC(=O)C1CCN(Cc2cnc3ccc(Br)cn23)CC1 95982264 CCDUZJPHKBJSJY-UHFFFAOYSA-N 337.221 1.794 0 40 EDAB Cc1nc(C)c([C@H](C)NC(=O)CN(C)c2ncnc3[nH]cnc23)s1 95954404 GOAOKVYTKMOPHF-VIFPVBQESA-N 345.432 1.740 0 40 EDAB CCc1cc(NC(=O)NCc2c(CC)c(CC)n[nH]c2=O)n(C)n1 89282810 HDSOBKBRYWIBJL-UHFFFAOYSA-N 332.408 1.512 0 40 EDAB COc1cncc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)n1 89484142 JZEDULHTQSPEDJ-JKSUJKDBSA-N 326.400 1.575 0 40 EDAB CCn1cnnc1CNC(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O 75120060 UKYKZPCJSSPISM-UHFFFAOYSA-N 337.383 1.892 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c(=O)[nH]1 75119128 RSNZZSAMUPAWNI-CYBMUJFWSA-N 332.381 1.332 0 40 EDAB O=C(Nc1cccn(CC(F)(F)F)c1=O)N1CCCC[C@H]1CO 89875130 JYOBMINNWCZTTB-JTQLQIEISA-N 333.310 1.789 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC2)cc1C 408621391 LFHLLULFSJLQMZ-ZDUSSCGKSA-N 340.445 1.683 0 40 EDAB COc1ccc(S(=O)(=O)N(C)Cc2ccnn2C)cc1OC 28219686 UJUWBNIBHQWVKI-UHFFFAOYSA-N 325.390 1.258 0 40 EDAB CC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 1548839124 SLEXGRHFEMOWPQ-SJORKVTESA-N 342.399 1.409 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218466113 VNHCISAJECAVFL-SGMGOOAPSA-N 331.821 1.359 0 40 EDAB COC(=O)c1ccc2c(=O)[nH]c(CN3C[C@H](C)O[C@H](C)C3)nc2c1 21916195 OPHAYVJYZBKFHQ-PHIMTYICSA-N 331.372 1.319 0 40 EDAB CC(C)c1c(C(=O)N2C[C@@H](O)C3(CC3)C2)cnn1-c1ccccn1 547981216 KQSLQLQGQWGYCJ-CQSZACIVSA-N 326.400 1.988 0 40 EDAB Cc1cc(C)n2nc3c(c2n1)[C@H](c1cn[nH]c1C(=O)O)CC(=O)N3 67712723 BMOGEYSSIYURHT-QMMMGPOBSA-N 326.316 1.242 0 40 EDAB COC(=O)c1ccc(CSc2nnc(N3CCOCC3)n2C)o1 33142954 PXESCAKSCDCSFZ-UHFFFAOYSA-N 338.389 1.324 0 40 EDAB COCC(=O)N1CCC[C@H](c2cccc(CCC(=O)N(C)C)n2)C1 72360496 RRKYOFDGPQVSFW-AWEZNQCLSA-N 333.432 1.455 0 40 EDAB CCCn1nccc1NC(=O)CNC(=O)N1CCc2ccccc2C1 78926773 FLXMRCDERAFJNW-UHFFFAOYSA-N 341.415 2.000 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217547473 UGTMQBQNQJFYNY-NSHDSACASA-N 342.417 1.662 0 40 EDAB Cc1noc(CNC(=O)c2coc(NC(=O)c3cccs3)n2)n1 62023084 PWDFOWPNYQSOCC-UHFFFAOYSA-N 333.329 1.610 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCc2onc(-c3ccccc3)c2C1 72344728 PESGCPOXALFGGV-UHFFFAOYSA-N 349.412 1.277 0 40 EDAB COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@@H](C)N2CCCC2)c1 32916566 CPWRSZWWHGQDMN-CYBMUJFWSA-N 340.445 1.544 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C)c1csc(C)n1 78663473 NPHRYXZNAXYSFB-JTQLQIEISA-N 348.494 1.483 0 40 EDAB O=c1[nH]c(N2CCN(Cc3ccncc3)CC2)nc2c1CCCC2 72341821 NZSKSXWSNJEOQY-UHFFFAOYSA-N 325.416 1.366 0 40 EDAB in-vitro Cc1cccc2c1cnn2CCCNC(=O)[C@@H]1CSCCC(=O)N1 226753241 KBYIUKUVCVPPGI-AWEZNQCLSA-N 346.456 1.473 0 40 EDAB O=C(c1cnc(O)c(Cl)c1)N1CCC[C@H](Oc2cccnn2)C1 225456540 XNZBZUIKCMEJPJ-NSHDSACASA-N 334.763 1.914 0 40 EDAB CC(C)N(C)c1ccccc1NS(=O)(=O)[C@@H](C)C(=O)N(C)C 225437511 GGPIVIZTYHVXQN-LBPRGKRZSA-N 327.450 1.750 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@H](C(=O)O)C(C)(C)C)cc1OC 321350809 XWHKFCBECYEBSS-CYBMUJFWSA-N 345.417 1.790 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1ccc2ncccc2c1 225797061 IPNMFOJKUXTWCG-UHFFFAOYSA-N 345.362 1.770 0 40 EDAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CC(=O)N(C2CCOCC2)C1 85472740 ZEOKBIZTBWRIBG-LLVKDONJSA-N 349.456 1.988 0 40 EDAB Cc1cc(NC(=O)Cn2cc(COc3ccc(F)cc3)nn2)n(C)n1 227161117 JNCILSOUYFHGBX-UHFFFAOYSA-N 344.350 1.677 0 40 EDAB COC[C@H](NS(=O)(=O)c1scnc1C(=O)O)c1ccc(C)o1 576224517 VCYSJGNAKLRYNX-QMMMGPOBSA-N 346.386 1.409 0 40 EDAB Cc1cnc(C(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)cn1 225636768 GOKHSERFZJOHMF-AWEZNQCLSA-N 340.339 1.235 0 40 EDAB CS(=O)(=O)NCCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 96404792 GXQKXLHGFJMBSO-HZPDHXFCSA-N 332.425 1.609 0 40 EDAB COC[C@@H]1CC2(CCN(Cc3ccoc3)CC2)CN1S(C)(=O)=O 96208444 UDZMOPRJULIEFF-HNNXBMFYSA-N 342.461 1.542 0 40 EDAB CCn1nc(C)cc1C(=O)NCCc1ccc(S(C)(=O)=O)cc1 96425415 SKGCGBYOEOJFIY-UHFFFAOYSA-N 335.429 1.587 0 40 EDAB C[C@H](NC(=O)NCC(C)(C)N1CCN(C)CC1)C1CCOCC1 95417087 VDZQVBRXLYKVKB-AWEZNQCLSA-N 326.485 1.127 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCc3nnc(C)n3C2)c2c(C)noc2n1 97198858 FPMSVOFNLCXSOA-NSHDSACASA-N 326.360 1.484 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)CC2 97198581 MJWFMICPQWQXMS-LLVKDONJSA-N 346.435 1.585 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 96042247 KOZOCLDDSGNINH-YESZJQIVSA-N 340.383 1.460 0 40 EDAB CCc1ccc([C@H]2COCCN2CC(=O)NCc2ccccn2)o1 96413019 VTWOQIATSWLHGD-MRXNPFEDSA-N 329.400 1.927 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1cncc(F)c1 330735939 MZUREJUGSFPFTM-RISCZKNCSA-N 343.424 1.602 0 40 EDAB CN(Cc1cnccn1)C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 96426545 RWHYQCTVWVSSGJ-QGZVFWFLSA-N 344.390 1.648 0 40 EDAB COC(=O)C[C@H]1Cc2ccccc2N1CC(=O)NC[C@@H]1CCCO1 583651410 MRTRJIDOVFWABE-CABCVRRESA-N 332.400 1.276 0 40 EDAB O=C(c1ccoc1)N1CC[C@H]2OCCN(CCN3CCCC3)[C@@H]2CC1 96249367 NARFXCAGVUEGMS-QZTJIDSGSA-N 347.459 1.681 0 40 EDAB Cc1nc(CN2CC[C@H]3[C@@H]2CCN3S(=O)(=O)C2CC2)cs1 96184518 LEOVXOWCJQGURJ-KBPBESRZSA-N 327.475 1.592 0 40 EDAB Cc1cc(C(=O)N2CCn3c(Cn4cccn4)cnc3[C@H]2C)no1 96070150 HEKYNLAABBOCEX-GFCCVEGCSA-N 326.360 1.641 0 40 EDAB C[S@@](=O)c1cccc(NC(=O)N2CCN(Cc3ccon3)CC2)c1 96434853 FRZDYYXLWAEOCS-DEOSSOPVSA-N 348.428 1.762 0 40 EDAB Cn1c(CO)cnc1S(=O)(=O)Cc1ccc(-n2cccn2)cc1 95463582 SHMFDQJKBVAGGV-UHFFFAOYSA-N 332.385 1.072 0 40 EDAB Cc1cc(C(=O)N2CC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)no1 96209383 JMISCKNLWBITTO-QAPCUYQASA-N 343.383 1.968 0 40 EDAB O=C(c1c[nH]cn1)N1CCC[C@@]2(COCCN(c3nccs3)C2)C1 96076800 UBGIQQRSTAWQCR-MRXNPFEDSA-N 347.444 1.625 0 40 EDAB O=C(NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1cnn2c1OCCC2 90584012 SRQCDRKETNKZDH-CYBMUJFWSA-N 342.355 1.421 0 40 EDAB O=C(CCN1Cc2ccccc2C1=O)Nc1nc([C@@H]2CCCO2)n[nH]1 95476500 MITPFGGXBCORRG-ZDUSSCGKSA-N 341.371 1.641 0 40 EDAB COc1cccc(C(=O)NCc2cc(C)nc(N(C)C)n2)c1OC 96121308 MRIKRGISRJCNJA-UHFFFAOYSA-N 330.388 1.798 0 40 EDAB CN1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)c3ccccn3)CC[C@@H]21 96064428 WTZVNZAEINKQMQ-VYDXJSESSA-N 325.416 1.513 0 40 EDAB CN1CC[C@@H](NC(=O)Nc2ccc(F)c(Br)c2)C1=O 96435594 TYMDBHKYVWEZSI-SNVBAGLBSA-N 330.157 1.940 0 40 EDAB Cc1cc(CN2CC3(CC[C@H](CNC(=O)C4CCC4)CO3)C2)no1 247892849 GHXAVXQBJBZASR-CQSZACIVSA-N 333.432 1.880 0 40 EDAB CS(C)(=O)=NCCNS(=O)(=O)c1cnc2ccsc2c1 585115257 SVOFGMGXSCSWJB-UHFFFAOYSA-N 333.460 1.302 0 40 EDAB CN(C)C[C@@H]1CCC2(CN(C(=O)c3cccc4c3OCCO4)C2)OC1 248123174 NUXQHDIYIADOSA-AWEZNQCLSA-N 346.427 1.641 0 40 EDAB CC(C)(CCCO)CNS(=O)(=O)c1c[nH]nc1C(F)(F)F 585115595 JIWRRSRWNLPDGB-UHFFFAOYSA-N 329.344 1.506 0 40 EDAB O=C(C[C@@H]1CN(C2CCC2)Cc2ccnn21)NCc1ccccn1 247876009 TWVFZPUNGFKMRG-QGZVFWFLSA-N 325.416 1.894 0 40 EDAB CC(C)Cc1cc(C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)on1 257229432 FYCRGMIWAWSJBT-QGZVFWFLSA-N 345.403 1.034 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ccc(F)cc1 257337075 YRGOQCPTVQIWTG-QGZVFWFLSA-N 328.347 1.493 0 40 EDAB COc1cccc(OC)c1CN1CCN(C)C[C@H](C(=O)N(C)C)C1 257207904 BJWMEMUOTVPTPZ-AWEZNQCLSA-N 335.448 1.156 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)N[C@@H](C)Cn3cccn3)ccc21 24806317 MJTQZBDYJIHDPD-LBPRGKRZSA-N 339.399 1.740 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cccn3C)CCN2C)c1 257282672 OUTIIDPHCYBIIQ-KRWDZBQOSA-N 340.427 1.514 0 40 EDAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CN1C(=O)NC(C)(C)C1=O 257215524 CQNZCHZCXGDKMS-NSHDSACASA-N 333.392 1.102 0 40 EDAB CC1(C)CCN(C(=O)c2cccc(-c3nc(=O)o[nH]3)c2)CC[S@@]1=O 597740730 UGQVNGIVUFVVRQ-DEOSSOPVSA-N 349.412 1.403 0 40 EDAB COC(=O)c1ccc(C(=O)NCc2nn(C)c3c2COCC3)cc1 96103987 CDAHWTKQTPFQMA-UHFFFAOYSA-N 329.356 1.209 0 40 EDAB CC(C)CC(=O)N1Cc2ccnn2[C@H](C(=O)NCc2ccccn2)C1 575406567 YIRWIUOGCRLAGO-INIZCTEOSA-N 341.415 1.524 0 40 EDAB C[C@@H]1CC[C@H](C(=O)N2CCc3[nH]nc(-c4cccnc4)c3CC2)O1 585110392 OTRLUALOQPBONI-MLGOLLRUSA-N 326.400 1.966 0 40 EDAB Cc1cc(CN2CC3(C[C@H](Oc4ccccn4)CCO3)C2)n(C)n1 585104662 KOEWMRQSCPFHCX-MRXNPFEDSA-N 328.416 1.936 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)Cc3cnc[nH]3)CCO2)c1 585275609 HHLBLMCKKVAEJU-GOSISDBHSA-N 329.400 1.093 0 40 EDAB Cn1ncc2c1CCCN(C(=O)Nc1cnnn1-c1ccccc1)C2 585140981 NMUAIHZJUMNFLJ-UHFFFAOYSA-N 337.387 1.981 0 40 EDAB CCn1cc(CN2CCOC[C@](O)(COc3ccccc3C)C2)cn1 585277314 UJBRULMIIDQCMA-IBGZPJMESA-N 345.443 1.854 0 40 EDAB O=C(NCCNc1ncccn1)[C@H]1CC(c2cc(F)ccc2F)=NO1 69696680 YWBCZYYQZSBNRO-CQSZACIVSA-N 347.325 1.476 0 40 EDAB O=C(Nc1nc(C2CC2)no1)c1cccn(CC(F)(F)F)c1=O 895036923 QIBCYANYMMFYBL-UHFFFAOYSA-N 328.250 1.923 0 40 EDAB O=S(=O)(NC[C@@H]1CCCCN1)c1ccccc1Br 44492894 HZOWIASOAJMTAP-JTQLQIEISA-N 333.251 1.870 0 40 EDAB NC(=O)[C@@H]1CCCCN1Cc1nc(COc2ccc(F)cc2)no1 44906670 FONOQNAZKBZATK-ZDUSSCGKSA-N 334.351 1.628 0 40 EDAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNS(C)(=O)=O 1775964397 OBINVPAJAPDDDN-SPWCGHHHSA-N 328.478 1.741 0 40 EDAB biogenic,in-vitro NC(=O)c1cccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)c1 75136934 YHPQOFXESFPKRX-INIZCTEOSA-N 331.416 1.112 0 40 EDAB CNC1CCN(C(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC1 97019642 FHNPBVYMPGLKGK-UHFFFAOYSA-N 328.416 1.801 0 40 EDAB O=C(N[C@H](Cc1ccccc1)C(=O)NCCCO)c1ccccc1 98074916 RBDGGKVTEBICCT-QGZVFWFLSA-N 326.396 1.526 0 40 EDAB COc1ccc(Br)c(C(=O)N2CCOC[C@H]2CO)c1 85469455 DEMFEBOWMOHROZ-SECBINFHSA-N 330.178 1.291 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@H](c3cc4cccnc4c(=O)[nH]3)C2)n1 19290927 PKEXNOXHAJZKGW-ZDUSSCGKSA-N 337.383 1.676 0 40 EDAB NCCn1nc([C@@H]2CCN(C(=O)CC3CCCC3)C2)c2nccnc21 19404347 IHTJWSBLMDKSKA-CQSZACIVSA-N 342.447 1.681 0 40 EDAB C[C@]1(CNc2nc(CCCN3CCOCC3)cc(=O)[nH]2)CCCO1 19461250 JWAIANKETBYHHH-QGZVFWFLSA-N 336.436 1.016 0 40 EDAB COc1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)[nH]c2=O)cc1O 3589015 QGGLCGBRBYFWPB-GBUMRVLUSA-N 333.409 1.375 0 40 EDAB O=C(NCC1CCN([C@H]2CCSC2)CC1)NC1CCOCC1 225557312 ZZWLYRXOBFMFQG-HNNXBMFYSA-N 327.494 1.682 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 10051189 ASBMRRMYKQPMCN-UHFFFAOYSA-N 347.419 1.111 0 40 EDAB O=C([C@H]1CN(c2ncc(Cl)cc2Cl)CCO1)N1CCOCC1 1888847442 FXWAAQMHAJDCIH-GFCCVEGCSA-N 346.214 1.452 0 40 EDAB Cc1noc(C)c1CN(C)C1CN(S(=O)(=O)Cc2ccccc2)C1 1888876338 HUAIGNWNBJESRI-UHFFFAOYSA-N 349.456 1.937 0 40 EDAB CN1C[C@]2(COCC1=O)CN(Cc1cc(F)ccc1F)CCO2 2037983663 BORYLUGEZKDPMA-MRXNPFEDSA-N 326.343 1.024 0 40 EDAB O=C1CC(C(=O)N2CC[C@@H]3C[C@]32C(=O)Nc2cccc(F)c2)=CC=N1 2056224334 YNMOCLLQQDLPAZ-KZULUSFZSA-N 341.342 1.683 0 40 EDAB Cc1ncc(CN2CCC[C@@]3(C2)CN(c2ncccn2)C3=O)s1 1615102369 UPPGRUUFQMXYBY-MRXNPFEDSA-N 329.429 1.871 0 40 EDAB CC1CCC(C(=O)N2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3C2)CC1 1565546137 UOPFKYXJGOQWGT-WUCCLRPBSA-N 344.477 1.074 0 40 EDAB O=C(NCc1ccccn1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4272653 LJJSFNWBXJPJPM-AWEZNQCLSA-N 328.347 1.825 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)Nc1c(C)cc(C)cc12 4751420 YQPYJYDGTHCLRH-HNNXBMFYSA-N 332.385 1.411 0 40 EDAB O=C([C@H]1CN(c2ncnc3ncccc23)CCO1)N1CCCCC1 2086854659 QRKIRGYWDOOWGH-CQSZACIVSA-N 327.388 1.243 0 40 EDAB O=C(NCc1ccc(C(=O)c2ccsc2)s1)C(=O)NC1CC1 206680776 AXAZNRWSPQFOQO-UHFFFAOYSA-N 334.422 1.935 0 40 EDAB O=C(NCCn1nc(C2CC2)ccc1=O)c1cnc2ccccc2n1 575619960 NOCBDTZMDFQAMO-UHFFFAOYSA-N 335.367 1.494 0 40 EDAB O=c1ccc(-n2cccn2)nn1CC1CCN(CC(F)(F)F)CC1 585502194 PVUFESNAORJYPA-UHFFFAOYSA-N 341.337 1.703 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(c2cc3c(nn2)CCC3)C1 618256036 BVBNENMIYSOXEF-HUUCEWRRSA-N 330.432 1.477 0 40 EDAB CC(C)C(=O)NCCNCc1c[nH]nc1-c1ccc2c(c1)OCO2 40153206 NLARQJIFTXTRTF-UHFFFAOYSA-N 330.388 1.667 0 40 EDAB CC1CCN(S(=O)(=O)NCCc2cnn(-c3ccccc3)c2)CC1 40496164 DOPJCBDUXVNJGH-UHFFFAOYSA-N 348.472 1.981 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H](C(N)=O)C3)c12 40480671 XERQMURDQFLKIK-LLVKDONJSA-N 328.372 1.746 0 40 EDAB COc1ccccc1OCCNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 40460933 ORLRUUYIJMCYBI-KRWDZBQOSA-N 341.363 1.972 0 40 EDAB O=C1SCCN1CCC(=O)N1CCC[C@H]1c1nnc2ccccn12 40468710 JTMLSSUHXRBMOA-LBPRGKRZSA-N 345.428 1.952 0 40 EDAB COC(CSc1nc(N)c2c3c(sc2n1)CN(C)CC3)OC 20391500 QMMFXRJEAWGWHM-UHFFFAOYSA-N 340.474 1.972 0 40 EDAB NC(=O)C1CCN(C(=O)CCCc2nnc(-c3ccccc3)o2)CC1 32488228 ONXAFZUKNYSLLC-UHFFFAOYSA-N 342.399 1.783 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnn(CC(N)=O)c2)c1C 32932361 RVYZWIMBPIHOOT-UHFFFAOYSA-N 336.417 1.403 0 40 EDAB NC(=O)CSc1nnc(COc2ccc(Br)cc2)o1 411463 OTKDMDRDXVVAHR-UHFFFAOYSA-N 344.190 1.989 0 40 EDAB CN([C@@H](C(N)=O)c1cccc(F)c1)S(=O)(=O)C[C@@H]1CCCCO1 78467793 NOSPWOAIUZPAMA-UONOGXRCSA-N 344.408 1.183 0 40 EDAB CC(=O)N1[C@H](C(=O)NN2CCOCC2)CS[C@@H]1c1ccccc1 1643141 QPMAXKRIAUACDA-GOEBONIOSA-N 335.429 1.013 0 40 EDAB O=C(O[C@H]1CO[C@@H]2[C@@H](OC(=O)c3ccco3)CO[C@@H]12)c1ccco1 4023739 BAJKIUQBKWDDJS-XDQVBPFNSA-N 334.280 1.421 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)c3ccnc(-n4ccnc4)c3)C2)n1 54122339 UBJYNEDFTJHYJK-AWEZNQCLSA-N 338.371 1.979 0 40 EDAB O=C(NCCNc1nc2ccccc2s1)[C@H]1CC(=O)N(C2CC2)C1 47476504 FQOOKROMLOMSNR-NSHDSACASA-N 344.440 1.835 0 40 EDAB COc1ccc(/C=c2/s/c(=C\C(=O)c3ccncc3)[nH]c2=O)cc1 104548733 WZQOLDPRIFLZCQ-VUTUTYQISA-N 338.388 1.332 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](C)(C(=O)OC)N[C@H]2c1cccc(F)c1 7999416 YETVZQMIBWNCBG-LKQDWFRTSA-N 334.347 1.023 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)N(C)C3CCCCC3)nn12 8133120 KHXMEWMXYOBSCZ-UHFFFAOYSA-N 331.376 1.381 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCS(=O)(=O)C1 42872314 DSQNHIATBYVWKP-LBPRGKRZSA-N 340.401 1.134 0 40 EDAB Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)n1 55281056 ITWSOHCAKYCRSL-CYBMUJFWSA-N 330.388 1.200 0 40 EDAB O=C(Cc1ccc2c(c1)CCO2)N1CCN(Cc2cscn2)CC1 55436428 SUXVJNRMPVFWQW-UHFFFAOYSA-N 343.452 1.965 0 40 EDAB CO[C@@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 25247960 QVSNGIQCAWRXEJ-HNNXBMFYSA-N 349.412 1.843 0 40 EDAB CCOc1nncn1-c1sc2c(c1[C@H]1NC=NN1)CC[C@@H](C)C2 26895455 JRVPASDFIGOFFL-RNCFNFMXSA-N 332.433 1.987 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 107334434 HGIGFGVMCMWFCS-MELADBBJSA-N 341.411 1.632 0 40 EDAB CS(=O)(=O)CCNC(=O)C1(c2ccc(Br)cc2)CC1 56879233 JKKPHPUXTFCBQW-UHFFFAOYSA-N 346.246 1.642 0 40 EDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H](C)N(C)C1CC1 57716192 SIIVBCQZWDLMQU-DNVCBOLYSA-N 345.487 1.969 0 40 EDAB CCCOc1cccc(NCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 57888822 YOGQXBUNWIRGJI-CQSZACIVSA-N 340.445 1.533 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@H]1C(N)=O 44647094 YGXDEANCMNNGAB-HOTGVXAUSA-N 327.384 1.427 0 40 EDAB COC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 44723038 JYTATLBHVPRZDX-CYBMUJFWSA-N 348.374 1.590 0 40 EDAB O=C(Nc1cccc(F)c1F)C1=CN2CCS(=O)(=O)N=C2C=C1 58197913 IHIQUAXCWLDSOO-UHFFFAOYSA-N 339.323 1.401 0 40 EDAB O=C(c1nccn2ccnc12)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 102695865 FSYAADNGAMIQOG-RBSFLKMASA-N 325.416 1.676 0 40 EDAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2C)C1=O 2106410 GSWMHTQLIYNGRJ-WBMJQRKESA-N 341.411 1.861 0 40 EDAB biogenic COc1ccc([C@H](C)NC(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 44968094 YBWNJZFBGGKWOJ-SMDDNHRTSA-N 335.404 1.733 0 40 EDAB CC(=O)NCC1CCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 44953073 NAUBAQIZNUXWRK-UHFFFAOYSA-N 329.404 1.199 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)N(C)C[C@H]1COc2ccccc2O1 44948707 SPFCODFYFHRMBC-ZDUSSCGKSA-N 341.429 1.356 0 40 EDAB C[C@H]1CN(CCNC(=O)Nc2cccnc2N2CCCC2)C[C@@H](C)O1 44952082 ZGBRCDAJWOIXID-GASCZTMLSA-N 347.463 1.913 0 40 EDAB CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)Cc1ccccc1 58332033 JKCPMPPQXDHCOJ-ZDUSSCGKSA-N 342.486 1.806 0 40 EDAB CC(C)N1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 48290649 DYVABLWDRGRLDM-HNNXBMFYSA-N 332.452 1.181 0 40 EDAB CC(=O)N1CCC(C(=O)NCCN(C)C2CC2)(c2ccccc2)CC1 58858158 GMQKCUXUGHZMRR-UHFFFAOYSA-N 343.471 1.777 0 40 EDAB CCc1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC(=O)N(C)C)o1 107715802 CJWUWMYITYUILI-LZLYRXPVSA-N 336.432 1.679 0 40 EDAB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ncccn1 11365177 KCBDCNRZNXJTFD-NSHDSACASA-N 341.400 1.880 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(N)cc1OC 11457996 RYPAOVFCFPHMNJ-SSDOTTSWSA-N 343.767 1.322 0 40 EDAB Cc1cc(CN(C)CCOc2ccc(S(N)(=O)=O)cc2)no1 29728006 ILSVJKGQXGDLNM-UHFFFAOYSA-N 325.390 1.141 0 40 EDAB O=C(O)c1cccnc1S[C@H]1CC(=O)N(c2ccc(O)cc2)C1=O 9870466 YRCMLBJLMROVGF-LBPRGKRZSA-N 344.348 1.910 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN[C@H](C)C2)sc1Br 94541463 YUJPMUZIIZZVDN-MRVPVSSYSA-N 339.280 1.801 0 40 EDAB COC(=O)NCC(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 63816994 PLDGLNNFJJXEOV-LLVKDONJSA-N 329.397 1.106 0 40 EDAB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]2C=C[C@H]1C2 4142630 HWGDPWQYIQOKHA-OWSLCNJRSA-N 340.423 1.854 0 40 EDAB Cc1cccc(N2CN=c3s/c(=C\c4ccncc4)c(=O)n3C2)c1 6174130 JDLLUGKYDHLFDR-YBEGLDIGSA-N 336.420 1.497 0 40 EDAB CCN(C(=O)Cn1nc(-n2cncn2)ccc1=O)C1=CCCCC1 65428434 UIVJAZFAKOJBMP-UHFFFAOYSA-N 328.376 1.130 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306144454 ZFTKSMRTYQERLS-ZDUSSCGKSA-N 326.418 1.291 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1F 65503988 GZYLKUGLQAWQQR-HNNXBMFYSA-N 326.331 1.767 0 40 EDAB CCn1nc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)ccc1=O 72287044 ALTIVXTUWJNDND-ZDUSSCGKSA-N 349.774 1.862 0 40 EDAB CC1(C)NC(=O)N(CC(=O)Nc2nc(-c3ccccn3)cs2)C1=O 6822641 NKFSPNAZGVVEJK-UHFFFAOYSA-N 345.384 1.474 0 40 EDAB C/C(NN1CCCCC1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 9357292 GEANJONOAIPANP-FYWRMAATSA-N 342.399 1.842 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)C[C@H]3CCOc4ccccc43)CCO2)n1 72299556 KLUSRXZNWDQXRD-CZUORRHYSA-N 342.399 1.969 0 40 EDAB COC(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2F)c1 6914254 HIVNMBAIYIWMFS-UHFFFAOYSA-N 330.315 1.981 0 40 EDAB NC(=O)CSc1nnc2c(n1)[nH]c1ccc(Br)cc12 5997747 NMRIMJJAIFMMOY-UHFFFAOYSA-N 338.190 1.846 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 72234066 KIQRJYISZAVCKH-HZPDHXFCSA-N 344.459 1.959 0 40 EDAB CCOC(=O)C1=C(CSc2nncs2)NC(=O)N[C@H]1CC 7194938 PUCNPOGOJFYFAV-ZETCQYMHSA-N 328.419 1.539 0 40 EDAB COc1cccc(C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 15566260 DMKWQLQBGOMYAT-UHFFFAOYSA-N 340.339 1.233 0 40 EDAB Cc1nn(CC(=O)N2CCC[C@H](C)C2)c(C)c1S(=O)(=O)N(C)C 7783330 BHBHAYXJYGSOFD-NSHDSACASA-N 342.465 1.009 0 40 EDAB O=C(Nc1cccc(COCC2CC2)c1)N[C@@H]1CCS(=O)(=O)C1 68490242 HZHWEMKQZMNMOU-OAHLLOKOSA-N 338.429 1.922 0 40 EDAB C[C@@H]1CN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC(C)(C)O1 68537509 YIOMPIGRHUSGPX-LLVKDONJSA-N 326.418 1.698 0 40 EDAB CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc2ccccc2c1 16342946 AENRFIJLUBZFHJ-QGZVFWFLSA-N 346.452 1.575 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c1 71797038 SWRYWFQPCFDSTA-HNNXBMFYSA-N 348.428 1.306 0 40 EDAB O=C(Cc1cccc(F)c1)NCC(=O)N[C@H]1c2ccccc2C[C@@H]1O 81701305 QHMNTLDZXTZBTL-LPHOPBHVSA-N 342.370 1.259 0 40 EDAB C[C@H](O)CN1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 70040947 PEDBNEBCRKTHEL-ZDUSSCGKSA-N 326.824 1.634 0 40 EDAB NC(=O)COC(=O)CCC[S@](=O)c1ccc(Br)cc1 70039118 UYUSRBQHHVXQOJ-LJQANCHMSA-N 348.218 1.365 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@@H](n2ccnc2)C1 70021236 WYKVDZZBGHPXAP-OAHLLOKOSA-N 337.387 1.400 0 40 EDAB CC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 69349630 SSGDPGNWNCKVMJ-DLBZAZTESA-N 349.862 1.724 0 40 EDAB C[C@@H](C(N)=O)N1CCN(c2ccnc(Cc3ccccc3)n2)CC1 97145046 OLASDUNJVOJITK-AWEZNQCLSA-N 325.416 1.063 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccc(-n3nccc3C)cc1)C2 69488832 MLYKZZLGFMLHOB-UHFFFAOYSA-N 336.399 1.991 0 40 EDAB CN(C)C(=O)Cc1nc(CN2CCCC[C@@H]2Cn2cncn2)cs1 69583007 GSDWFISKYVWJDW-CQSZACIVSA-N 348.476 1.420 0 40 EDAB COCC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 69560139 HNUWLZXKMPVZSH-UHFFFAOYSA-N 326.400 1.829 0 40 EDAB COc1ccc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)cn1 69530391 MLCREFDLGYGNNO-OLZOCXBDSA-N 334.420 1.679 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1sccc1-n1cnnn1 69597495 ZAFKBROBAOBESS-NEPJUHHUSA-N 332.433 1.423 0 40 EDAB Cc1nc2ccccc2nc1CN1CCN(Cc2nccn2C)CC1 69510672 LTBZRNMLKASWFU-UHFFFAOYSA-N 336.443 1.990 0 40 EDAB COc1ccc2nc(-c3ccnc(S(C)(=O)=O)c3)[nH]c(=O)c2c1 69579333 RUYJSJGNQPFVSZ-UHFFFAOYSA-N 331.353 1.397 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnnn1C1CCOCC1 69586401 ZKUBHEQRGSRCOI-AAEUAGOBSA-N 339.465 1.812 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2cnns2)C(N)=O)cc1 71826768 IXTLAFBQIFRVAB-LLVKDONJSA-N 334.401 1.011 0 40 EDAB CC(=O)N[C@H](C(=O)NCCC(=O)Nc1cccc(C)n1)C1CCCC1 69629182 JZDXRUKWBBSMAF-KRWDZBQOSA-N 346.431 1.530 0 40 EDAB C[C@H](NC(=O)Nc1ncn(Cc2ccccc2)n1)C(=O)NC(C)(C)C 71854953 XRDSRKFVAYTGLR-LBPRGKRZSA-N 344.419 1.751 0 40 EDAB COc1ccccc1[C@H](C)N1CCN(CCN2CCOC2=O)CC1 69702147 ZCAVVTYSXLSLDI-HNNXBMFYSA-N 333.432 1.826 0 40 EDAB O=C(CN[C@@H]1CCCN(c2cccnn2)C1)NCc1ccccc1F 69779970 DVKDKWIZJMXTHG-OAHLLOKOSA-N 343.406 1.491 0 40 EDAB CC[C@@H](C)NC(=O)NC(=O)CSc1nc2nc(C)cc(C)n2n1 8621929 TXWQYHSSCBSNIO-MRVPVSSYSA-N 336.421 1.458 0 40 EDAB O=C1NCCN1C1CCN(CCCOc2ccc3c(c2)OCO3)CC1 71833192 MVKOJIOFPTYFNI-UHFFFAOYSA-N 347.415 1.674 0 40 EDAB CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(C[C@@H](C)O)CC1 69975494 HHJRSJFOKWPUMA-AEFFLSMTSA-N 333.476 1.595 0 40 EDAB CC[C@H](C)c1ccccc1OCC(=O)N1CC[C@H](OCC(N)=O)C1 72312696 WBWCVMQCGRDPJJ-KBPBESRZSA-N 334.416 1.682 0 40 EDAB C[C@H](CCc1ccccc1)NC(=O)CNCCCN1CCOCC1 21554634 JTYWCPJMOYXGKD-QGZVFWFLSA-N 333.476 1.436 0 40 EDAB CCc1n[nH]c([C@@H]2CN(CC(=O)NCCC3=CCCCC3)CCO2)n1 83830082 BAUBXODUGSHHFA-HNNXBMFYSA-N 347.463 1.747 0 40 EDAB Cc1ccc([C@](O)(CC(=O)O[C@H](C)C(=O)N(C)C)C(F)(F)F)o1 71916820 DKBJUJOCCRRIQK-NOZJJQNGSA-N 337.294 1.748 0 40 EDAB CC(C)CC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccnc1 306142894 XNIXOARWLKJFCY-MRXNPFEDSA-N 345.443 1.865 0 40 EDAB CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1C 409333188 CRQDBXCFZYRLAP-TUVASFSCSA-N 326.437 1.909 0 40 EDAB O=C(NCCCn1ccnc1)N1CCC([C@@H](O)C(F)(F)F)CC1 95419121 QHEROVILVLVFTP-GFCCVEGCSA-N 334.342 1.618 0 40 EDAB Cc1ccc(C(=O)NCC(=O)Nc2cn[nH]c2)cc1Br 95405995 WNHRPQJFAHBTJJ-UHFFFAOYSA-N 337.177 1.849 0 40 EDAB CC[C@H](NS(=O)(=O)N(C)C)[C@H](O)c1ccc(C(F)(F)F)cc1 95433139 IHFVIMIXVPNJRW-NWDGAFQWSA-N 340.367 1.913 0 40 EDAB Cc1c(Br)cccc1C(=O)N1CCOC[C@H]1C(=O)O 88440460 VZNBQGQOCGJHKR-NSHDSACASA-N 328.162 1.683 0 40 EDAB COCCOCCn1cc(I)cc(C)c1=O 95939561 JRYAAADVCZMDJR-UHFFFAOYSA-N 337.157 1.424 0 40 EDAB C[C@@H](C(=O)NCc1noc(C2CC2)n1)n1c(=O)oc2ccccc21 95978693 PSCABOAPSGBEMW-VIFPVBQESA-N 328.328 1.732 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)cc1C 95994989 SZOCTKMTKDNXBE-OAHLLOKOSA-N 334.445 1.996 0 40 EDAB O=C(N[C@H]1CCC[C@@H](C(=O)O)C1)C1CCN(c2cnccn2)CC1 95991878 IBEDIVGTJPEQOO-KGLIPLIRSA-N 332.404 1.453 0 40 EDAB CN(CC1CCC1)C(=O)NCCCN1CCN(c2ncccn2)CC1 89340245 FPYYFFMNUUBFAZ-UHFFFAOYSA-N 346.479 1.430 0 40 EDAB CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)cc1 408733183 FSDZLSOHVWOSQZ-RGCFKVTRSA-N 343.379 1.671 0 40 EDAB Cc1ccccc1[C@H](O)CNC(=O)NCCC(=O)NC1CCCC1 75610716 RDBFIMJJPUVREG-MRXNPFEDSA-N 333.432 1.777 0 40 EDAB Cc1n[nH]c([C@H]2CN([C@@H](C)C(=O)N(C)Cc3ccccc3)CCO2)n1 76042565 JJRLXVMJTRABBI-XJKSGUPXSA-N 343.431 1.534 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)c2ccc(F)cc2Cl)n1 24959602 OIXKZBQYMZJKLM-UHFFFAOYSA-N 325.731 1.669 0 40 EDAB CN1Cc2nnc(-c3cccnc3)n2C2(CCN(CC3CC3)CC2)C1 306139939 UERPZNLCOSLUAL-UHFFFAOYSA-N 338.459 1.987 0 40 EDAB CCOC(=O)C1=C(C)NC(SCC(N)=O)=N[C@@H]1c1ccccc1 33695087 SZFKTZDLBXDJCE-CQSZACIVSA-N 333.413 1.743 0 40 EDAB CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)c1[nH]ccc1C1CC1)C2 1021277725 AZFLJMDQBBKMGH-GJZGRUSLSA-N 344.459 1.706 0 40 EDAB CN(C)Cc1c(C(=O)c2ccccc2Cl)c(=O)n(C)c(=O)n1C 36357981 AVDZTFPHSSZRSR-UHFFFAOYSA-N 335.791 1.030 0 40 EDAB Cc1cc(N2CC[C@H](Nc3cnn(CC(F)(F)F)c3)C2=O)n(C)n1 126218821 HURZWMRBMMVUAD-NSHDSACASA-N 342.325 1.705 0 40 EDAB COc1ccccc1CCNC(=O)CN1CCC[C@@H](c2ccn[nH]2)C1 72270633 XTGMISLGMITODQ-MRXNPFEDSA-N 342.443 1.957 0 40 EDAB NC[C@H]1CN(C(=O)c2csc(C(F)(F)F)n2)CC12CCOCC2 564956400 MRLHQOBLIPILOA-VIFPVBQESA-N 349.378 1.989 0 40 EDAB CC(=O)N1CCN(Cc2ncc[nH]2)C[C@@H](COc2ccccc2)C1 72374471 PRYDBUXEJYTZAN-MRXNPFEDSA-N 328.416 1.769 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCCCN2CCCC2)c1 73460688 OFNKOMNZSQVFDF-UHFFFAOYSA-N 326.418 1.237 0 40 EDAB O=C(CSCCOc1ccc(F)cc1)N[C@H]1CCCCNC1=O 78555522 WSJUECIZQYBEJR-AWEZNQCLSA-N 340.420 1.723 0 40 EDAB CN(C)S(=O)(=O)N1CCC(c2cccc(-n3ccnc3)n2)CC1 72379196 VOWOZWJEFGZIQL-UHFFFAOYSA-N 335.433 1.253 0 40 EDAB C[C@H](N)C(=O)N(C)CC1CCN(C(=O)OCc2ccccc2)CC1 79393096 KISYWTHTNKIPMG-AWEZNQCLSA-N 333.432 1.841 0 40 EDAB CC1CCN(C(=O)Cn2cc(I)cn2)CC1 77963060 HBHIQQIIZOZNHT-UHFFFAOYSA-N 333.173 1.746 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(Cl)cc1 72241313 MMTLUNSZANOXHD-LSDHHAIUSA-N 338.791 1.097 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3ccccc3C)N[C@](C)(C(=O)OC)[C@@H]2C1=O 229994414 SEKYBLVOEUSLDW-NUXNZHGMSA-N 330.384 1.192 0 40 EDAB O=C(NCCc1ccccc1)C(=O)NC[C@@](O)(c1ccco1)C1CC1 75154978 DUQDWWHKILWIFU-IBGZPJMESA-N 342.395 1.352 0 40 EDAB O=C(N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O)c1ccccc1 514288887 JETZUPCATRSDQT-SOUVJXGZSA-N 340.370 1.276 0 40 EDAB biogenic,in-vitro C[C@]1(CNC(=O)Cn2nnc3c2CCCC3)COc2ccccc2O1 529615306 OKXAYNCXYCDADS-SFHVURJKSA-N 342.399 1.503 0 40 EDAB O=C(Cc1ccc(I)cc1)N1CCC[C@@H]1CO 191009784 PZPWFGWTCQQCBC-GFCCVEGCSA-N 345.180 1.817 0 40 EDAB CN(C)S(=O)(=O)N1CCC(C(=O)NC(C)(C)CC(C)(C)C)CC1 224072857 WADMZMCPIKARNI-UHFFFAOYSA-N 347.525 1.836 0 40 EDAB Cn1cc(CN2CCn3cc(CNC(=O)C4CCC4)nc3C2)cn1 96197428 SKZMNXXEKYOCMU-UHFFFAOYSA-N 328.420 1.049 0 40 EDAB CS(=O)(=O)N1CC[C@@H](F)[C@]2(CCN(C(=O)c3ccco3)C2)C1 96241232 SGAHZFMGYWNKOD-OCCSQVGLSA-N 330.381 1.115 0 40 EDAB CN(C)C(=O)[C@H]1C[C@@H]2CN(C(=O)NCc3cccc(F)c3)C[C@H]1O2 96252815 UYCCUCIKKFLCNH-QLFBSQMISA-N 335.379 1.213 0 40 EDAB Cc1cc(C)cc(C[C@H](C)NC(=O)NCCCS(C)(=O)=O)c1 96439552 LGTNYVHCQZXGQP-AWEZNQCLSA-N 326.462 1.968 0 40 EDAB CC[C@@](O)(CNC(=O)NCCOC)c1ccc(Br)cc1 96471533 MBHLYARJDYRSBD-CQSZACIVSA-N 345.237 1.992 0 40 EDAB O=C(c1ccncn1)N1C[C@H](OCC2CCOCC2)[C@H]2OCCC[C@H]21 96187086 FXXIPHSKOYHOES-IKGGRYGDSA-N 347.415 1.292 0 40 EDAB C[C@@H]1CN=C(N2CCN(c3ncc(Br)cn3)CC2)S1 96424098 SRJQRSRHYFBHTJ-SECBINFHSA-N 342.266 1.852 0 40 EDAB Cc1cnc(N2CCC3(CCC(=O)N3CCN3CCCC3)CC2)nc1 96075413 OKJABTSVRYEHJN-UHFFFAOYSA-N 343.475 1.842 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2Cc2ccccc2)N1CCN1CCOCC1 96186317 JINMKUDBQIDICD-OALUTQOASA-N 343.471 1.584 0 40 EDAB c1cnc(N2Cc3nccn3C[C@H](COCCN3CCCC3)C2)nc1 96066862 SWMTXRRBYLUWHA-INIZCTEOSA-N 342.447 1.422 0 40 EDAB CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccsc1 96057854 LKWXNCUNJHMDNI-GZBFAFLISA-N 338.429 1.225 0 40 EDAB CCCS(=O)(=O)NC[C@H]1Cn2nnc(-c3ccccc3)c2CO1 96069435 BPUAXVQEIDMPLU-ZDUSSCGKSA-N 336.417 1.173 0 40 EDAB CN(C)c1cc(C(F)(F)F)nc(N2CCC[C@H](c3nnn[nH]3)C2)n1 97234759 VWRUOIVVEYCLBG-QMMMGPOBSA-N 342.329 1.459 0 40 EDAB Cc1nc(N2CCN(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)sc1C 95437039 DRNRPUUZVJMISM-MCIONIFRSA-N 336.461 1.911 0 40 EDAB COc1cc(C)nc(N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)n1 583616828 LJHVPAUQWTVLSZ-MRXNPFEDSA-N 332.408 1.454 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 583616331 GUFJZOAFIAMIGU-BPLDGKMQSA-N 343.420 1.685 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@@H]2O1 96041050 ZTPMTYFPPDKBLY-WBAXXEDZSA-N 341.411 1.970 0 40 EDAB O=C([C@H]1C[C@@]2(CCCN(Cc3cccnc3)C2)CO1)N1CCOCC1 96224857 YVGUXBPMVKINTN-IEBWSBKVSA-N 345.443 1.312 0 40 EDAB CN(C)c1cc(C(F)(F)F)nc(N2CCCS(=O)(=O)CC2)n1 96413745 ZAYHRDRJYSIMME-UHFFFAOYSA-N 338.355 1.186 0 40 EDAB CCO[C@@H]1C[C@@H](N(C)C(=O)Cn2nc(C)ccc2=O)C12CCCC2 96419205 GLCJFRHGPURYNY-HUUCEWRRSA-N 333.432 1.748 0 40 EDAB O=C(c1ccnnc1)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 96183552 JSPKNKBCMXECJE-DOTOQJQBSA-N 342.374 1.593 0 40 EDAB Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2cc[nH]n2)cs1 96245915 QNAILPHDKVHPJX-QWHCGFSZSA-N 331.401 1.190 0 40 EDAB CN1C(=O)C[C@H](C(=O)Nc2nncs2)[C@H]1c1ccc2c(c1)OCO2 95477353 MNTRXEBDNMICNH-TVQRCGJNSA-N 346.368 1.425 0 40 EDAB CN(C)C(=O)CN1CCO[C@@H]2CN(Cc3cccs3)CC[C@@H]2C1 96249649 VRYHDBOWOVIUCR-GDBMZVCRSA-N 337.489 1.359 0 40 EDAB Cn1nnc2c1CCN(C(=O)Cc1ccccn1)[C@@H]2COCC1CC1 96045281 ZHRSAJKRNDKCPT-MRXNPFEDSA-N 341.415 1.305 0 40 EDAB COCCN1CCOC[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1 96228785 OTQMDMPZBGJLSE-KRWDZBQOSA-N 338.473 1.949 0 40 EDAB CO[C@@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2ccnn2C1 247906633 XIDXGOXGQVXGQZ-OAHLLOKOSA-N 335.429 1.317 0 40 EDAB Cc1ncsc1CN1CC2(C[C@@H](OCC(=O)N(C)C)CS2)C1 248011764 PMNYCZKQSVEGFX-GFCCVEGCSA-N 341.502 1.616 0 40 EDAB C[C@H]1COCC[C@H]1S(=O)(=O)NCc1ccccc1Cn1cccn1 585084136 CRXNLBIKUVVGGV-WMLDXEAASA-N 349.456 1.776 0 40 EDAB C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CN(C)[C@@H]1COC[C@H]1O 585084507 JJGPKMLKSCHKDI-GBJTYRQASA-N 328.453 1.571 0 40 EDAB Cn1cc(CC(=O)N[C@@H]2CCc3n[nH]c(=O)cc3C2)c2ccccc21 244975157 IDTWPWRIEPUKNI-CQSZACIVSA-N 336.395 1.478 0 40 EDAB O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncccn1)c1ccco1 247474462 GTEHXNRRGSLEFS-YDHLFZDLSA-N 328.372 1.483 0 40 EDAB O=C(NCc1nccs1)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 585122328 XAJWZWHRYBWPIH-YPMHNXCESA-N 346.330 1.570 0 40 EDAB C[C@@](O)(CNC(=O)c1cnn2c(-c3cccnc3)ccnc12)C1CC1 585122270 VGSTXEVYJPBADK-GOSISDBHSA-N 337.383 1.682 0 40 EDAB CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)C1CCCC1 585127576 DPUZKQQTBCPUJN-KRWDZBQOSA-N 342.436 1.291 0 40 EDAB Cc1cnn(CC(=O)N2CCC(c3ccn4nc(C)cc4n3)CC2)c1 257253015 JXGCLIXEGQGTNZ-UHFFFAOYSA-N 338.415 1.949 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCNc1ncc(C)cn1 253600332 KVQFNQXGWJPYBN-ZDUSSCGKSA-N 340.449 1.028 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3cnn(C)c3)CC2)c1 25222395 TXJCGJHAUMWAIP-UHFFFAOYSA-N 326.400 1.635 0 40 EDAB CCn1nc(C(=O)N2CCOC[C@@H]2c2cc(O)nc(C)n2)cc1C 257313688 UTQSSCMEFMXWKE-CQSZACIVSA-N 331.376 1.229 0 40 EDAB CCN(CC)S(=O)(=O)N1CCNC[C@@H]1c1ccc(OC)cc1 257283833 PAATUIOFCQUGHL-OAHLLOKOSA-N 327.450 1.228 0 40 EDAB Cc1c[nH]c([C@@H]2CN(C(=O)c3ccc4oc(=O)n(C)c4c3)CCO2)n1 257257736 KQWQNGNQLYGRLH-AWEZNQCLSA-N 342.355 1.377 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)CC[C@@H]1O 257266076 MBLQTRJKBCKMRQ-KBPBESRZSA-N 328.771 1.581 0 40 EDAB CC(C)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)CC[C@@H]1O 257301422 RYJQFMNSSPFIAI-HOTGVXAUSA-N 334.416 1.190 0 40 EDAB CN(C)c1ccc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c(F)c1 269699475 IPQMGBCVKUSHDX-NSHDSACASA-N 343.424 1.046 0 40 EDAB Cc1ccc2cc(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)c(C)nc2c1 1615051003 SZOKHKWVEYRVDR-AWEZNQCLSA-N 347.440 1.615 0 40 EDAB CCn1ccnc1[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccccn1 1616034464 LVDMJINRQYWHNT-TZMCWYRMSA-N 336.417 1.497 0 40 EDAB CN(C)c1nc(CNC(=O)Nc2ccccc2)nc(N2CCCC2)n1 575606557 POPIEIPBUPSTSI-UHFFFAOYSA-N 341.419 1.860 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 575402537 CEGHLVIRMQPXCQ-ZDUSSCGKSA-N 328.459 1.759 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575404814 VICLRRHUEIXCPM-AWEZNQCLSA-N 342.486 1.898 0 40 EDAB O[C@]1(COc2ccc(F)c(F)c2)COCCN(C2CCOCC2)C1 585282788 OCLCUQNUVBIJCX-KRWDZBQOSA-N 343.370 1.586 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)c3ocnc3C)CCO2)c1 585278786 VGYWLHYHYRNGOY-SFHVURJKSA-N 330.384 1.738 0 40 EDAB CCN1CCN(C(=O)CC2CCN([C@H](C)c3nnc(C)o3)CC2)CC1 66568289 YDYYUOIRFSJJMW-CQSZACIVSA-N 349.479 1.705 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccccn2)C1=O 69528103 LPKKWSJXVFVSRF-SJCJKPOMSA-N 330.388 1.250 0 40 EDAB COc1ccccc1C/C(C)=C/C(=O)NCCN1CCN(C)CC1 69652795 QTPYZXACEXVYSF-FOCLMDBBSA-N 331.460 1.548 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)Cc1ccc(F)c(F)c1 44543283 HCWOZVAFMNBFIJ-UHFFFAOYSA-N 337.326 1.241 0 40 EDAB NC(=O)CN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CCCC1 47236260 FPKIKHKGTVJFAA-HNNXBMFYSA-N 343.427 1.292 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 48253124 XMZWBCPRFRNQOI-HUUCEWRRSA-N 345.443 1.791 0 40 EDAB CCc1c(C(=O)N2CC[C@@H](C(N)=O)C2)cnn1-c1ccc(F)cc1 53894241 LRRYCVROBIQGNK-LLVKDONJSA-N 330.363 1.521 0 40 EDAB Cn1ccnc1N1CCN(C(=O)[C@H]2CCOc3ccccc32)CC1 72297745 FEROIXTXZXXGTQ-HNNXBMFYSA-N 326.400 1.635 0 40 EDAB O=C(O)Cn1nc2nnc(-c3ccccc3)c(-c3ccccc3)n2c1=O 72339937 BTACWEKTIWEPQP-UHFFFAOYSA-N 347.334 1.705 0 40 EDAB CC(C)(NC(=O)CCOc1ccc(Br)cc1)C(N)=O 57050998 PYVFXODFUIZUEL-UHFFFAOYSA-N 329.194 1.598 0 40 EDAB O=C(Cc1nc2ncccn2n1)N1CCC[C@@H]1c1noc(C2CC2)n1 84614968 BPXPPCKOEDDOOE-LLVKDONJSA-N 339.359 1.291 0 40 EDAB Cc1ccn2cc(C(=O)N3CCN(C(=O)c4ccncc4)CC3)nc2c1 89700865 UHSQNNXHCQIODF-UHFFFAOYSA-N 349.394 1.636 0 40 EDAB CN([C@@H](C(=O)O)c1ccc(F)cc1)S(=O)(=O)c1cncc(F)c1 547600194 RHRWIYKZLBBKHL-CYBMUJFWSA-N 342.323 1.806 0 40 EDAB CN1C(=O)CN(C2CCN(C(=O)c3cc(C4CC4)on3)CC2)C1=O 823748716 ZIZRGDKCHQDCSV-UHFFFAOYSA-N 332.360 1.051 0 40 EDAB O=C(CO)N(CCn1ccnc1)c1ccc(Br)cn1 1548453636 MEWVKOVYVBIXOJ-UHFFFAOYSA-N 325.166 1.066 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)N(Cc3ccncc3)C3CC3)cc2[nH]1 12606606 WGMLFSUQJWHSQL-UHFFFAOYSA-N 344.396 1.605 0 40 EDAB C[C@H](c1ccc(F)cc1)N(C)CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 12930886 JFLIUXGHAHHPJB-WBMJQRKESA-N 342.436 1.512 0 40 EDAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCC2)cc1 16575410 DPJHZBZAFCFQNW-ZDUSSCGKSA-N 340.445 1.763 0 40 EDAB COc1ccccc1CNC(=O)[C@H](C)Sc1nc2ncccn2n1 10077927 DFHIGQXTNZEHNZ-NSHDSACASA-N 343.412 1.930 0 40 EDAB O=C(COc1cccc(-n2cnnn2)c1)N1CCc2ccccc2C1 5673503 BEDPUQBAORZCAY-UHFFFAOYSA-N 335.367 1.626 0 40 EDAB Cc1cccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)c1 12346174 CDNGTUPAEMGGJD-BBRMVZONSA-N 327.384 1.624 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CC(=O)NCc1ccccc1N2 2037978101 ATNRHSIKELZVGO-UHFFFAOYSA-N 339.443 1.887 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1Cc2[nH]nc(COc3cccnc3)c2C1 1565545779 MAHYQOZVAGEVTF-VIKVFOODSA-N 326.356 1.118 0 40 EDAB CCN(CC)C(=O)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055714725 NZEHOFWJSCHYEA-ZDUSSCGKSA-N 332.448 1.986 0 40 EDAB CCCCN(C)CCNC(=O)c1c(O)nc2scc(C)n2c1=O 22852921 DKHPMEJCGGFSLM-UHFFFAOYSA-N 338.433 1.232 0 40 EDAB O=C(CCSc1ccccc1)NC[C@@H](O)Cn1ccccc1=O 206888782 GAQFZCFPIVXXMS-CQSZACIVSA-N 332.425 1.508 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)CSc1nncc(O)n1 1282318 BTYFZZMKUIJURF-UHFFFAOYSA-N 334.357 1.485 0 40 EDAB C[C@@H]1CN(S(=O)(=O)NCCOc2cccc(F)c2)C[C@@H](C)O1 40105080 HAAHNYCMPIZZHJ-VXGBXAGGSA-N 332.397 1.148 0 40 EDAB NC(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)cn2)c1 30792613 KUUIDTHLNNUEPG-UHFFFAOYSA-N 326.356 1.269 0 40 EDAB CCc1nnsc1C(=O)NCc1cccnc1N1CCOCC1 31329189 VTHHYHDFFAEGQJ-UHFFFAOYSA-N 333.417 1.262 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)CN1C(=O)CSc2ccccc21 31394846 UAVQVHBGEHZATO-GFCCVEGCSA-N 330.413 1.527 0 40 EDAB O=C(Cn1cnc2ncccc2c1=O)Nc1ccc2c(c1)OCCO2 40487745 UXESALCQBFQBKE-UHFFFAOYSA-N 338.323 1.201 0 40 EDAB O=C([C@H](c1ccccc1)n1nnc(-c2ccccc2)n1)N1CCOCC1 31625634 APZCHCJBHNNBIW-KRWDZBQOSA-N 349.394 1.788 0 40 EDAB CCN(CC(=O)NC)C(=O)c1ccc(I)cc1 40539446 ZGVJCAWRPCYDTH-UHFFFAOYSA-N 346.168 1.499 0 40 EDAB COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)c1 40523027 QEEWLFBRRCJWII-RMKNXTFCSA-N 342.399 1.913 0 40 EDAB O=C(CCCc1ncc(-c2ccccc2)o1)N[C@H]1CCS(=O)(=O)C1 40523560 SEKUWPFVGZENGH-AWEZNQCLSA-N 348.424 1.968 0 40 EDAB O=C(NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(=O)[nH]n1 40534184 KJYUZAADTLSYBF-AWEZNQCLSA-N 329.356 1.258 0 40 EDAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccco1 32826388 PRWDDXYIDOEZFC-MNOVXSKESA-N 347.337 1.409 0 40 EDAB C[C@H](C(=O)Nc1nccs1)N1CCC[C@H](C(=O)NCC2CC2)C1 52931351 BVKLTSWOUJXMFB-YPMHNXCESA-N 336.461 1.708 0 40 EDAB CCOC(=O)[C@]1(CC)C(=O)O[C@@H](C(=O)NC2CCCCC2)[C@@H]1C 267190 YGKNEFFMXHQDKE-XTQGRXLLSA-N 325.405 1.956 0 40 EDAB COc1ccccc1-n1c(SCC(N)=O)nnc1-c1cccnc1 420550 ZRQSBZQUWDOWOS-UHFFFAOYSA-N 341.396 1.915 0 40 EDAB C[C@H](NC(=O)NCCCc1ccc(N(C)C)cc1)c1nncn1C 46962956 VLLOTYFIPPGVPJ-ZDUSSCGKSA-N 330.436 1.874 0 40 EDAB COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)c1cccc(O)c1 1587989 UVXQTXZNVUCOMZ-UHFFFAOYSA-N 348.336 1.275 0 40 EDAB O=C1[C@@H](N2CCN(C[C@H]3CCCCO3)CC2)CCN1c1ccccc1 79035316 WFTWTVYJHKPOTQ-MOPGFXCFSA-N 343.471 1.979 0 40 EDAB CC(C)n1nc(O)c2c(-c3cnn(C)c3)c3c(nc21)[nH]c(=O)n3C 79502119 YTTXIUAIUWRLRP-UHFFFAOYSA-N 327.348 1.298 0 40 EDAB Cc1noc(C2CCN(C(=O)CN(C)C(=O)c3cccs3)CC2)n1 53454950 BTTPMFMKWYWTNG-UHFFFAOYSA-N 348.428 1.918 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCCCN3CCC[C@@H](C)C3)nc2n1 47110969 CDYAPNIUPYDXSY-GFCCVEGCSA-N 330.436 1.593 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)nc1)N(C[C@H]1CCOC1)C1CC1 61382909 SRXFBXSVKJVAGD-CQSZACIVSA-N 346.431 1.951 0 40 EDAB COc1ccc(CNC(=O)COC(=O)c2ccc(O)cc2O)cc1 3417896 SUWZDJVVXDWGOF-UHFFFAOYSA-N 331.324 1.580 0 40 EDAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CC[C@H](C(N)=O)C3)c12 53893745 CPYDOLSLQCOZPJ-NSHDSACASA-N 329.404 1.348 0 40 EDAB NC(=O)[C@H]1CCCN1C(=O)c1cccc(I)c1 42209770 DENLELDYKVGUJP-SNVBAGLBSA-N 344.152 1.381 0 40 EDAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 6640575 LDERMBPXNABRGX-WPRPVWTQSA-N 336.413 1.864 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)CCC(=O)c2cccs2)n1 12487372 BXILQLDKXPVIPW-UHFFFAOYSA-N 335.389 1.288 0 40 EDAB COc1ccccc1CC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 47635845 GNUONGBVKUMFIW-SJORKVTESA-N 348.443 1.091 0 40 EDAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCC[C@H]3C(=O)O)ccc12 3191844 FHLCGESJLLXQDI-RISCZKNCSA-N 345.351 1.944 0 40 EDAB Cc1ccc(NC2CCN(C(=O)CN(C)c3cnccn3)CC2)nn1 71863541 BEXYZHJWAJGYMC-UHFFFAOYSA-N 341.419 1.114 0 40 EDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 57279480 QLTRTLSZFJXXED-UHFFFAOYSA-N 325.394 1.055 0 40 EDAB Cc1cccc(CN2C[C@@H]3CCN(c4cnn(C)c4)C(=O)[C@H]3C2)n1 107254597 SBLOFDLAPSCSAR-YOEHRIQHSA-N 325.416 1.608 0 40 EDAB O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2cc[nH]n2)CC1 55752816 DBBQOBPXEWJHJL-UHFFFAOYSA-N 348.790 1.427 0 40 EDAB O=S(=O)(NCc1cccc(Cn2cncn2)c1)c1ccccc1F 56088096 JHROOHYQMYJENP-UHFFFAOYSA-N 346.387 1.944 0 40 EDAB C[C@H](C(=O)N1CCCCC1)N(C)Cc1nc2ccccc2c(=O)[nH]1 56665221 BUXRJUIOZZCPFO-CYBMUJFWSA-N 328.416 1.756 0 40 EDAB Cc1ccc(-n2ncc(C(=O)N3CCC[C@@H](C(N)=O)C3)c2C)cc1 44022839 WYGPYHRTRQNREX-CQSZACIVSA-N 326.400 1.827 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1 27757124 DRGGURKRAZGDRI-UHFFFAOYSA-N 344.396 2.000 0 40 EDAB CN(C[C@H]1CN(Cc2nnc(C3CCC3)o2)CCO1)c1cccnn1 83859345 WOEWUQMVQNFQKJ-AWEZNQCLSA-N 344.419 1.464 0 40 EDAB Cc1cnn(CCCNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c1 71905734 OILCMCGMGZILJI-DOTOQJQBSA-N 341.415 1.312 0 40 EDAB Cn1ncc2c(NCCNC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)ncnc21 108457135 XFXSLBQDZUITQX-RWMBFGLXSA-N 328.420 1.718 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(C)o2)n(C)c1 27088748 KCKVJWFSNADFND-UHFFFAOYSA-N 325.390 1.107 0 40 EDAB CCOc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)CNC2=O)cc1 71928370 VQMHUPIDSNJOIQ-AWEZNQCLSA-N 331.372 1.301 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)Nc2ccc(N3CCOCC3)nc2)C1 48079913 UKOWJEFWKPDGEV-OAHLLOKOSA-N 347.463 1.772 0 40 EDAB CO[C@@H]1CCCC[C@@H]1OC(=O)Cc1csc(N2CCNC2=O)n1 44734195 WYJMITZGRNOEFH-NEPJUHHUSA-N 339.417 1.716 0 40 EDAB O=C(NCCC(=O)N1CCO[C@@H](c2ccccc2)C1)c1cnccn1 72404044 MJKKRBDCQHZBBQ-MRXNPFEDSA-N 340.383 1.197 0 40 EDAB Cc1nn(C)c(Cl)c1CN1CCN(CC(=O)N2CCCC2)CC1 58183038 VWPSZFJAWDERGG-UHFFFAOYSA-N 339.871 1.122 0 40 EDAB COc1ccnc(N2CCCN(Cc3nc(C4CC4)no3)CC2)n1 58178177 GBPGKBDJVQZLLU-UHFFFAOYSA-N 330.392 1.458 0 40 EDAB Cc1ccc(Nc2nc(N)nc(CN3CCC[C@@H](C(N)=O)C3)n2)cc1 58160502 GKWKQGSOWIVQKG-GFCCVEGCSA-N 341.419 1.203 0 40 EDAB CN(C)CC[C@@H](Nc1nc(N)nc2c1CCNCC2)c1ccccc1 72447066 QGLHFMSJOAXNBK-MRXNPFEDSA-N 340.475 1.852 0 40 EDAB CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 100634744 PHKUSXBBVSULHF-IUVQAAGXSA-N 327.380 1.922 0 40 EDAB O=C(CCNc1ncccn1)N1CCN(c2ccccc2F)CC1 44903357 YNAYVIDGCVRNRX-UHFFFAOYSA-N 329.379 1.767 0 40 EDAB Cc1ccc([C@H](CNC(=O)NCCn2ccnc2)N2CCOCC2)o1 44966634 UXVJOOHRZSZWJM-HNNXBMFYSA-N 347.419 1.157 0 40 EDAB O=C(NCc1ccnc(-n2cccn2)c1)N(C[C@H]1CCOC1)C1CC1 44968704 OGSVOIVWNOTCLQ-OAHLLOKOSA-N 341.415 1.978 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccccc2OCC(N)=O)n1 44953331 RZRHRRYBGXLKME-GFCCVEGCSA-N 344.415 1.430 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c2c(=O)[nH]n(C)c2n1 58380196 VKLDULLMPNFIEJ-STQMWFEESA-N 330.388 1.354 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)N1CCN(c2ccncc2)CC1 28406618 BYZGQMLNPYXZPZ-QGZVFWFLSA-N 338.411 1.917 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)c2cccnc12 59019206 SLNKUERGQFGRMT-ZDUSSCGKSA-N 333.413 1.490 0 40 EDAB O=C(NC1=NCCS1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 29794942 ULGJNDJQXFVSRM-UHFFFAOYSA-N 338.332 1.813 0 40 EDAB C[C@H](OC(=O)c1cc2ccccc2cc1O)C(=O)N1CCNC1=O 48312380 JDOBAVPCLDFOEL-JTQLQIEISA-N 328.324 1.643 0 40 EDAB OC1CCN(C[C@@H](O)COCCOc2ccc(Cl)cc2)CC1 12855300 SISFHAGFFBILPT-OAHLLOKOSA-N 329.824 1.553 0 40 EDAB O=C(c1ccc(N2CCOCC2)nc1)N1CCO[C@@H]2CCCC[C@@H]21 46494510 RJAVDVPNHNQLMY-JKSUJKDBSA-N 331.416 1.702 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)NCc1ccc2c(c1)OCO2 2629362 BGHMATFPOYIAPZ-UHFFFAOYSA-N 337.335 1.442 0 40 EDAB COc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H]2CCCO2)C(C)C)cc1 3456252 JEEVVQOMSWRZQO-JKSUJKDBSA-N 334.416 1.745 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 8877498 XGYXXHWBQVKAJV-ZDUSSCGKSA-N 340.401 1.144 0 40 EDAB COc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 13070744 INGXJMVSSUWCRP-UHFFFAOYSA-N 334.397 1.315 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)N(C)Cc3ccc(C)o3)CCO2)c1 71185578 IYZAWYNBEJDGAU-KRWDZBQOSA-N 346.431 1.452 0 40 EDAB c1ccc2c(c1)N(CCn1cncn1)CCCN2CCn1cncn1 72665815 FQHKQKJJXAWOGH-UHFFFAOYSA-N 338.419 1.287 0 40 EDAB CC1(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CCOCC1 71863773 HSIBDUAVLIOOQY-KRWDZBQOSA-N 332.444 1.681 0 40 EDAB CC(C)Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)n(C)n1 65405180 XBHFNKDIYOGFFA-INIZCTEOSA-N 340.427 1.671 0 40 EDAB O=C(COC(=O)c1cnccn1)Nc1ccc2c(c1)OCCCO2 6486045 MCYFCAZROZBZLL-UHFFFAOYSA-N 329.312 1.433 0 40 EDAB CCN(CC)Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1 71871238 MQZWKIKBRGZGGH-MRXNPFEDSA-N 333.476 1.667 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306144977 ZTVJOUITVSUUQR-HNNXBMFYSA-N 340.383 1.320 0 40 EDAB COc1ccc(C[C@]2(O)COc3cc(OC)cc(O)c3C2=O)cc1 14758419 LZSFFWMTNAFHNX-SFHVURJKSA-N 330.336 1.958 0 40 EDAB biogenic CN(C)CC(C)(C)CNC[C@H](O)COCc1ccc2c(c1)OCO2 6790330 TZFHQOJOVUJDOY-HNNXBMFYSA-N 338.448 1.470 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)NC1=NN(c2ccccc2)CC1 96012115 WQGALSWFPNRIOP-UHFFFAOYSA-N 347.382 1.545 0 40 EDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccccc1-n1ccnn1 96009395 LNOPHQOWPVNFDC-UHFFFAOYSA-N 329.404 1.644 0 40 EDAB O=S1(=O)CC[C@H](NC(=S)Nc2ccc(OC(F)F)cc2)C1 5939804 FYGSHQHXHJQBFB-VIFPVBQESA-N 336.385 1.762 0 40 EDAB Cc1ccc(F)c(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c1 71875039 VFQNFLPTNFDVLA-UHFFFAOYSA-N 347.434 1.904 0 40 EDAB Cc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1C1CC1 9366457 PTPZELFXABFRRE-UHFFFAOYSA-N 325.372 1.766 0 40 EDAB CCS(=O)(=O)CCNC(=O)Cc1nc(-c2ccsc2)oc1C 68056873 HOJVAHZSPTWWRG-UHFFFAOYSA-N 342.442 1.805 0 40 EDAB CC(C)n1ncc2cc(C(=O)NCC(=O)NCc3ccco3)cnc21 9314257 STUAVKHDTHXKGR-UHFFFAOYSA-N 341.371 1.651 0 40 EDAB CSc1ccccc1NC(=O)[C@H](C)Sc1nc(N)nc(N)n1 9366686 YMMJQOUWNCCWIQ-ZETCQYMHSA-N 336.446 1.877 0 40 EDAB O=C(NCc1ccc2c(c1)OCCO2)N1CC[C@](O)(C(F)(F)F)C1 81470623 RNXLZFSQMBHSCF-CQSZACIVSA-N 346.305 1.667 0 40 EDAB Cn1cccc1C(=O)NC(=O)CSc1nnc2n1CCCCC2 8071206 XSUNTVKFHKFOAI-UHFFFAOYSA-N 333.417 1.392 0 40 EDAB CCN1C(=O)CN(CN(Cc2ccccc2)C[C@H](C)C(=O)OC)C1=O 71920457 ISPBJBINVLAHAT-AWEZNQCLSA-N 347.415 1.539 0 40 EDAB COc1ccccc1NC(=O)[C@H](C)N[C@]1(C)CCS(=O)(=O)C1 8315147 IGQLZZPIXKBSPX-XHDPSFHLSA-N 326.418 1.189 0 40 EDAB C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1cccc(N2CCCC2=O)c1 71831305 CAZAYDKNYABIER-GFCCVEGCSA-N 325.368 1.993 0 40 EDAB O=C(NCCOCCO)Nc1cc(Cl)ccc1N1CCOCC1 69464026 WXQLGNBPKZLUKN-UHFFFAOYSA-N 343.811 1.307 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)c1 69418494 GAGROPVOVJKHFB-CQSZACIVSA-N 340.383 1.963 0 40 EDAB Cc1sc(C(=O)NS(=O)(=O)C2COC2)cc1Br 408498082 KGVLBYFZZDXSJO-UHFFFAOYSA-N 340.220 1.277 0 40 EDAB O=C(NCCCNC(=O)c1ccc(F)cc1)NCc1cccnc1 71897489 PWXSHAYUUBUVDV-UHFFFAOYSA-N 330.363 1.840 0 40 EDAB COc1ccc([C@@H](O)CN2CCN(C[C@@H](O)C(C)(C)C)CC2)cc1 71871697 NGBZTYTVAUMZNS-ZWKOTPCHSA-N 336.476 1.753 0 40 EDAB C[C@@H]1CN(Cc2cccc3c2OCCO3)CCN1Cc1nccn1C 69510972 VATMBEQDOCDGIP-OAHLLOKOSA-N 342.443 1.898 0 40 EDAB CC(C)N1CC[C@H](NC(=O)NCCC(=O)NCc2ccccc2)C1 69619744 SCZRILVPRZCAJV-INIZCTEOSA-N 332.448 1.475 0 40 EDAB CCN(CCC(=O)OC)C(=O)[C@@H](C)NC(=O)CC1CCCCC1 69780117 YUCWIEGEJNHGDN-CYBMUJFWSA-N 326.437 1.873 0 40 EDAB C[C@@H](NC(=O)NC1CCN(CCc2ccncc2)CC1)[C@H]1CCCO1 69700790 IISHIWGTJNMEEX-CRAIPNDOSA-N 346.475 1.955 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCc3ccccc3[C@@H]2C(N)=O)c1 69737855 GYWYOLPGIOSLQB-MRXNPFEDSA-N 348.399 1.908 0 40 EDAB O=C(Cc1ccccc1)NCCC(=O)N1CCN(C2CCC2)CC1 69893612 OKXLUMUKOFIVJZ-UHFFFAOYSA-N 329.444 1.432 0 40 EDAB O=c1oc2ccccc2n1CCCN1CCC[C@H](Cn2cncn2)C1 69848474 SHEQOOCNJFJBAA-HNNXBMFYSA-N 341.415 1.988 0 40 EDAB CNc1cc2c(nn1)CCN(C(=O)[C@H]1Oc3ccccc3O[C@H]1C)C2 71860141 JSVSCQFATFRHGZ-GTNSWQLSSA-N 340.383 1.632 0 40 EDAB CN(C)C[C@@H]1CN(CC(=O)NCCc2c[nH]c3ccccc23)CCO1 69981877 BXVLIBCVSLOHRZ-MRXNPFEDSA-N 344.459 1.089 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc23)c1 69928830 RXTBUZAGCAQMCI-CYBMUJFWSA-N 337.383 1.733 0 40 EDAB COc1ccccc1OCCC(=O)N1CCN(CC(C)(C)O)CC1 69948504 WUDRBDTYKZMCPY-UHFFFAOYSA-N 336.432 1.379 0 40 EDAB NC(=O)CNc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 9606285 JTDMSHMNRUWRNT-UHFFFAOYSA-N 327.340 1.607 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@H]4CCCN4C[C@@H]3C)cc12 72282380 USIOSJQVIFTLPE-WCQYABFASA-N 349.460 1.134 0 40 EDAB COC[C@@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 408619837 NWICRLBIJUDFHB-LLVKDONJSA-N 348.852 1.566 0 40 EDAB CC1CCC(N2C[C@H](C(=O)N3CCc4c(nnn4C)C3)CC2=O)CC1 72306436 PBTGGRKPRBTPNR-ROKHWSDSSA-N 345.447 1.127 0 40 EDAB COC[C@@](C)(CC(=O)O)NC(=O)CCCOc1ccccc1F 95464089 FRHVKLXPDPJYNK-MRXNPFEDSA-N 327.352 1.981 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)c2ncncc2Cl)[C@H]1c1ccc(F)cc1 89374745 YADQTPMFOXHUSK-IUODEOHRSA-N 348.765 1.971 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c(=O)[nH]1 75122724 QOPPOZWEEZPDKA-UHFFFAOYSA-N 349.390 1.823 0 40 EDAB CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)NC[C@H]2CCCO2)c1 75144981 XUZLJQZPPIJYFY-SNVBAGLBSA-N 345.396 1.377 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CCCO2)cc1 28208311 PZSDDBKVYYTYJR-CQSZACIVSA-N 340.445 1.165 0 40 EDAB O=C(NC[C@H]1CCO[C@@H]1c1cn[nH]c1)c1ccnn1CC(F)(F)F 1549657662 MONUEYYSKCMQPU-SKDRFNHKSA-N 343.309 1.676 0 40 EDAB Cc1cc(=O)c(OCC(=O)NCCCc2nnc3ccccn23)co1 524734558 QIGQXVRUFMZPCP-UHFFFAOYSA-N 342.355 1.119 0 40 EDAB Cc1nccc(N2CCO[C@@H](c3ccc(CCC(N)=O)cn3)C2)n1 72378809 BSRQMXHCYFWFTJ-OAHLLOKOSA-N 327.388 1.176 0 40 EDAB CCN1C[C@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1=O 78608987 YCNVLJLEWQTDAU-YPMHNXCESA-N 337.370 1.528 0 40 EDAB Cc1c(C(=O)NCCCN(C)C)nnn1-c1cccc2cccnc12 79351860 KJNKFMPJGDHMMN-UHFFFAOYSA-N 338.415 1.805 0 40 EDAB CNC(=O)Cn1c(=O)nc(-c2ccc(C)cc2)c2nc(C)sc21 32615541 GZZSKKUNDWDORC-UHFFFAOYSA-N 328.397 1.883 0 40 EDAB CC(C)(CO)N(C(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 217373684 DTOIISOVJQOMGI-CYBMUJFWSA-N 345.848 1.740 0 40 EDAB CC1CCN(Cc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 30754953 NTIJXLQGWRIYQR-UHFFFAOYSA-N 345.487 1.981 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C(=O)O)cc1 218551825 NBYQJVWOPYSNOZ-BFYDXBDKSA-N 331.393 1.717 0 40 EDAB CCn1nc(C)c(CNc2nc3c(C)nn(C)c3c(=O)n2CC)c1C 32651933 OWUGAGBQCPSOAX-UHFFFAOYSA-N 343.435 1.904 0 40 EDAB Cc1nnc(CNC(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)n1C 79049385 SEYPCMVUOLKACF-VIFPVBQESA-N 339.808 1.648 0 40 EDAB Cc1c(C(=O)NCCCN(C)C)nnn1-c1cccc2cnccc12 79351854 AMMHPWNTFQLHGY-UHFFFAOYSA-N 338.415 1.805 0 40 EDAB CCOCCOC(=O)c1snnc1-c1cnc(SC)nc1 223854945 WXLUQDPYSGIQKP-UHFFFAOYSA-N 326.403 1.910 0 40 EDAB O=C(NC1(c2nc[nH]n2)CCC1)c1cnn(-c2ccccc2F)c1 573277535 KJDLAPAGXFDTGT-UHFFFAOYSA-N 326.335 1.939 0 40 EDAB Cc1ccn(-c2ccccc2CNS(=O)(=O)NCC(F)(F)F)n1 195424264 HTGQKLRWNMSJRT-UHFFFAOYSA-N 348.350 1.667 0 40 EDAB O=C1[C@@H](N2CCN(C[C@H]3CCCO3)CC2)CCCN1c1ccccc1 96406951 YADQGQZDKGGLND-MOPGFXCFSA-N 343.471 1.979 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1C 96193178 BRROGGQYWUMHJS-GFCCVEGCSA-N 340.445 1.540 0 40 EDAB COc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CN(C)CCN1C 96477454 PYSDQHPWFCWSDG-HUUCEWRRSA-N 334.464 1.248 0 40 EDAB NC(=O)COc1cccc(CNC(=O)[C@@H]2CCc3ccccc3C2)c1 578136546 RZWBZQXCCVIUJP-QGZVFWFLSA-N 338.407 1.972 0 40 EDAB Cc1noc([C@H]2CN(Cc3cc4c(cn3)OCCO4)CCN2C)n1 583651750 RTPYWGDGELTERG-CYBMUJFWSA-N 331.376 1.033 0 40 EDAB O=C(Nc1cnccn1)[C@H]1CO[C@@H]2CN(Cc3nccs3)C[C@@H]21 96219481 JUJJKYSUHICKFV-GRYCIOLGSA-N 331.401 1.019 0 40 EDAB O=C([C@@H]1CN(Cc2ccccn2)CC12CCOCC2)N1CCCC1 96052188 RXHISDHZDGWQBM-KRWDZBQOSA-N 329.444 1.933 0 40 EDAB Cc1ccc(N2CCC[C@]3(CN(Cc4nccn4C)CCO3)C2)nn1 96074845 DLQHYSWGRXSPNN-SFHVURJKSA-N 342.447 1.390 0 40 EDAB Cc1nnc(N2CCC[C@@]3(CN(Cc4ccccn4)CCO3)C2)o1 96226645 JFIGCPWXBFRAEB-QGZVFWFLSA-N 329.404 1.644 0 40 EDAB O=C1C[C@H](c2cccnc2)C2(CCN(C(=O)c3ccoc3)CC2)N1 96199718 QUIHNYVUWVXPCJ-OAHLLOKOSA-N 325.368 1.953 0 40 EDAB CN1CCC(COC[C@H]2CC[C@H]3[C@H](CCN3[C@@H]3CCOC3)O2)CC1 96064790 JBNLUMBLMXQMSH-YRXWBPOGSA-N 338.492 1.756 0 40 EDAB Cn1ccnc1CN1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 96200809 YPBVAZZOWYEWSE-MOPGFXCFSA-N 340.471 1.938 0 40 EDAB COc1ccc(N2CCC[C@H](C(=O)NCc3ccncc3)C2)nn1 96231301 KSUVQCRCYVZUPC-AWEZNQCLSA-N 327.388 1.413 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](Cn2nccn2)C(C)C)cc1 238940316 VXNVVQWXKDKDDG-HNNXBMFYSA-N 336.417 1.484 0 40 EDAB O=C(NCCN1CCOCC1)c1cc2c(s1)CCN2C(=O)C1CC1 96062695 CMZVGGWBEFEDHD-UHFFFAOYSA-N 349.456 1.109 0 40 EDAB COc1ncccc1C(=O)N1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 96046348 MQZLPUHNGJGYBD-VBNZEHGJSA-N 340.383 1.873 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)c1ccc3c(c1)nnn3CC)CC2 97198781 ZAETYRNESJELJZ-GFCCVEGCSA-N 339.403 1.350 0 40 EDAB Cc1ccnc(NC[C@H]2CCN(CCCN3C(=O)CNC3=O)C2)c1 97200806 DEDATLXMIWSJIW-CQSZACIVSA-N 331.420 1.066 0 40 EDAB C[C@@]1(C(=O)NCCN2CCOCC2)CC(c2cccc(F)c2)=NO1 96192987 YKMQSABEWROXBN-KRWDZBQOSA-N 335.379 1.157 0 40 EDAB Cc1ccc(CN2C[C@@H]3CCCO[C@@H]3[C@H](NS(C)(=O)=O)C2)o1 96040627 WIFYAGLFTZUDHX-CFVMTHIKSA-N 328.434 1.117 0 40 EDAB COc1ccc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 247865292 ARRYSNRQDNUHPZ-WMZOPIPTSA-N 340.427 1.823 0 40 EDAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3ccon3)CC2)cn1 257294723 QVJTWUHAPWYMOJ-UHFFFAOYSA-N 343.387 1.196 0 40 EDAB C[C@@H]1COCC[C@@H]1S(=O)(=O)NCc1ccccc1Cn1cccn1 585084134 CRXNLBIKUVVGGV-PBHICJAKSA-N 349.456 1.776 0 40 EDAB CC(C)N1CCN(CC(=O)N2CCNC[C@@H]2c2ccccc2)CC1 257297224 RGKCGMXCJPTADT-GOSISDBHSA-N 330.476 1.186 0 40 EDAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2oc(C(N)=O)nc2c1 585127712 HRCVXWXEDHVVFJ-KOLCDFICSA-N 333.344 1.449 0 40 EDAB CC(C)c1n[nH]c(CC2CCN(S(=O)(=O)c3cccnc3)CC2)n1 585138270 ZZSFBVSFVXUUFC-UHFFFAOYSA-N 349.460 1.967 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)CC2(O)CCCCC2)CCO1 257213024 CFWYDXOFMQODRM-CYBMUJFWSA-N 334.420 1.504 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CCC(=O)NC12CCC2)c1nc(C(C)(C)C)no1 252480689 CCZWPMJZJKYWDC-MNOVXSKESA-N 349.435 1.929 0 40 EDAB Nc1cnc(C[C@@H]2CCCN(C(=O)CCCn3cncn3)CC2)cn1 257253387 JYSALUAOHVCREI-CQSZACIVSA-N 343.435 1.302 0 40 EDAB CC(=O)N[C@@H]1CO[C@@H]2CCN(Cc3cccc(C)c3)C[C@@H]2C[C@@]1(C)O 257207157 BGOWOWYNZAGPSX-MTQWCTHYSA-N 346.471 1.862 0 40 EDAB CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]2c2ccn[nH]2)c1 286889377 AXUURDCJZAHXPR-NSHDSACASA-N 340.430 1.357 0 40 EDAB Cc1nn(C)c(Oc2cccnc2)c1CN1CC(N2CCNC2=O)C1 1615582774 NCGZLXNZFFHGIE-UHFFFAOYSA-N 342.403 1.125 0 40 EDAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3cnc(C)cn3)C2)cc1 96378062 OZLIWVMVVYSHDH-UHFFFAOYSA-N 347.396 1.092 0 40 EDAB Cc1ccc([C@H](CNC(=O)C(=O)NC2CCCC2)OCCO)cc1 96338161 GSUSAZUYBBVQLR-INIZCTEOSA-N 334.416 1.220 0 40 EDAB Cc1nc(C(=O)NC[C@@H]2CO[C@@H]3CN(C(=O)C4CCC4)C[C@@H]32)cs1 575405799 UJDDDCDIFVZTOD-UMVBOHGHSA-N 349.456 1.455 0 40 EDAB CN(C)c1nc(CNC(=O)c2c(F)cccc2F)nc(N(C)C)n1 575604063 PNLROBRWDULWQD-UHFFFAOYSA-N 336.346 1.212 0 40 EDAB CC(=O)N1CCC[C@]1(CO)CC(=O)NCc1ccc(F)cc1F 585280557 KKJGILREBGFGCL-MRXNPFEDSA-N 326.343 1.345 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1Cc1cccc(S(=O)(=O)N(C)C)c1 69813839 RGFKVXWDNPKXEV-JSGCOSHPSA-N 339.461 1.023 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2cnn(C)c2)c1C 32540080 SVMXNZBBVQOZGF-GFCCVEGCSA-N 332.404 1.855 0 40 EDAB COc1ccc(C(C)=O)cc1CN1CCC[C@H]1C(=O)N1CCOCC1 54445747 SFPFCPPXSWHUSW-KRWDZBQOSA-N 346.427 1.721 0 40 EDAB Cc1cc([C@@H](O)CCNS(=O)(=O)c2c(C)noc2C)c(C)o1 85561760 ILMZXZLEDOXFDF-ZDUSSCGKSA-N 328.390 1.903 0 40 EDAB CNS(=O)(=O)CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 83598638 DOCPEVULTMGYBW-KRWDZBQOSA-N 344.436 1.710 0 40 EDAB CCn1nc(C)cc1C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 78900138 RMGHFBCXSITNND-NSHDSACASA-N 330.392 1.053 0 40 EDAB Cc1ccccc1OCCCC(=O)N1CCN(S(C)(=O)=O)CC1 40490121 VTHBOGOFHIBUAP-UHFFFAOYSA-N 340.445 1.258 0 40 EDAB CC(C)C(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 12219997 UHNXTYYMVNIPDP-UHFFFAOYSA-N 329.400 1.406 0 40 EDAB COC(=O)/C=C1\S[C@@H](NC(=O)c2cccc(Cl)c2)NC1=O 13899188 MSZRLYRLHLEPNM-XURPKSDJSA-N 326.761 1.273 0 40 EDAB CN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccccc1 16187705 ZCCJBECLKYNMJW-UHFFFAOYSA-N 344.436 1.892 0 40 EDAB CCOC(=O)[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCCCCC1 594194805 LGRURPUYXZKIEQ-ZIAGYGMSSA-N 345.461 1.439 0 40 EDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)NCc1ccccc1OC(F)F 10114262 LLTHCWDVBQWYCT-CABZTGNLSA-N 329.347 1.987 0 40 EDAB Cc1cccc(C(=O)N[C@H]2CCN([C@H](C)c3nnnn3C3CC3)C2)n1 1010231763 XPONCUYPZKREST-OLZOCXBDSA-N 341.419 1.277 0 40 EDAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)[C@H]4CCCO4)C[C@H]3C2)nn1 1888846771 NCSRHYZXBQEZLR-QLFBSQMISA-N 344.459 1.848 0 40 EDAB CSc1nc(C2CC2)cc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 1888853964 JFZDZDVPSKYEFJ-AWEZNQCLSA-N 348.472 1.904 0 40 EDAB COc1cc(N2CCN(Cc3nnc(C4CC4)o3)CC2=O)ccn1 1888864465 YJXMORNNJXODHI-UHFFFAOYSA-N 329.360 1.199 0 40 EDAB O=S(=O)(CCc1ccccc1)N[C@@H]1CCN(C2CCOCC2)C1 1888879112 LOYZNYBTTHIHPS-MRXNPFEDSA-N 338.473 1.402 0 40 EDAB c1nc(N2CC[C@H](COc3ccc(C4CC4)nn3)C2)c2c[nH]nc2n1 1888888353 ZUBYOFDWWIYLPF-NSHDSACASA-N 337.387 1.926 0 40 EDAB Cc1ccn2c(=O)cc(COc3cccc(-n4cnnn4)c3)nc2c1 14733958 UJSAWTLWJBBXJN-UHFFFAOYSA-N 334.339 1.558 0 40 EDAB COCCN1CCO[C@H]2CCN(C(=O)/C=C/c3cccs3)C[C@@H]21 1565553406 XSKJKWCIECLTJX-SWJNODNISA-N 336.457 1.709 0 40 EDAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)cc1 1567976218 XFQROFBKJOWHSO-LBPRGKRZSA-N 342.355 1.920 0 40 EDAB COc1ccccc1-c1ccc(=O)n(CC(=O)N2CCCCC2)n1 5397008 KOONXNUKVZUVMX-UHFFFAOYSA-N 327.384 1.931 0 40 EDAB CCn1c(=O)c2c(nc3n(-c4ccccc4N)c(C)cn23)n(C)c1=O 10233430 PEOYNFFSOVUUOP-UHFFFAOYSA-N 338.371 1.049 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1N1CCCC1=O 10220985 ZGRADQZWGROABU-CQSZACIVSA-N 345.399 1.356 0 40 EDAB COC(=O)c1ccc2c(=O)n(CCN3CCCCC3)c(S)nc2c1 12415774 TYGUPWYCOULLHA-UHFFFAOYSA-N 347.440 1.958 0 40 EDAB CNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O 22768064 DYDPOZWQZVCMHF-UHFFFAOYSA-N 341.346 1.345 0 40 EDAB Cc1nnc2c(=O)n(CC(=O)Nc3ccccc3)c3ccccc3n12 35480856 XEYCLZROEYVGKV-UHFFFAOYSA-N 333.351 1.991 0 40 EDAB O=C1NC2(CCSCC2)C(=O)N1Cc1cn(CC2CCCC2)nn1 2298034102 CQMRKMVHUSTEHA-UHFFFAOYSA-N 349.460 1.786 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@H]1C(=O)NC1CC1 40071639 ASMHDBFADUMUEA-KRWDZBQOSA-N 346.475 1.968 0 40 EDAB Cc1cccc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)n1 30557397 GSRZJMQBNQVKDN-UHFFFAOYSA-N 337.387 1.683 0 40 EDAB O=C(Nc1cccc(NC(=O)[C@H]2COCCO2)c1)c1ccncc1 30889114 KOGGTKJIULYYDS-OAHLLOKOSA-N 327.340 1.688 0 40 EDAB CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)c1 40458877 WDKLPCPAHAOHRT-NSHDSACASA-N 326.418 1.618 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c12 40477682 BKRDNYFZGYXAML-JTQLQIEISA-N 335.385 1.326 0 40 EDAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCC(N2CCNC2=O)CC1 52214868 NZMAAORRLXCPFH-OAHLLOKOSA-N 344.459 1.696 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)c2ccc3ccccc3c2)CC1 32906096 NNLSOJCNZROSAK-UHFFFAOYSA-N 332.425 1.947 0 40 EDAB O=C1CCCc2[nH]c(=O)c(C(=O)NC[C@H]3Cc4ccccc4O3)cc21 33117393 KHDZMKUTYXFLDA-GFCCVEGCSA-N 338.363 1.627 0 40 EDAB CC(C)c1csc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)n1 12047359 GXDYZDGAEHOKFT-UHFFFAOYSA-N 344.396 1.908 0 40 EDAB Cc1c([C@@H](C)NC(=O)N2CCN(Cc3ccco3)CC2)cnn1C 47007123 PWGJTBGECUUKGZ-CYBMUJFWSA-N 331.420 1.910 0 40 EDAB CCCc1noc(CCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 78789535 GZBYDQQWTGMZGC-KBPBESRZSA-N 336.436 1.012 0 40 EDAB C[C@H](CNC(=O)C(=O)Nc1cnn(CCN(C)C)c1)c1cccs1 79111347 PXTGIHFFHCRILX-GFCCVEGCSA-N 349.460 1.365 0 40 EDAB O=C1CCC(C(=O)OCC(=O)c2ccc(Br)s2)=NN1 4349302 PIEXRCIMXJOCEH-UHFFFAOYSA-N 345.174 1.503 0 40 EDAB Cc1nnc2sc(SCC(=O)c3ccc(F)cc3)nn2c1=O 4569834 BDMBSOULWKTIAF-UHFFFAOYSA-N 336.373 1.969 0 40 EDAB Cc1nn(C)c(-c2nc3c4cn[nH]c4ncn3n2)c1Br 6412415 JXNXRNRIJXEKAX-UHFFFAOYSA-N 333.153 1.472 0 40 EDAB CC[C@@H](C)c1ccc(NC(=O)CN2CCN(C(=O)COC)CC2)cc1 97358054 QSWYCSWTWSNBAK-OAHLLOKOSA-N 347.459 1.929 0 40 EDAB NC(=O)NC[C@H]1CCCCN1c1ccc2nnc(C(F)(F)F)n2n1 84429162 DJWDSHGWUUKAGB-MRVPVSSYSA-N 343.313 1.170 0 40 EDAB Cc1cc(NC(=O)CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)no1 100128750 PFXOGDIENSOVFO-CHWSQXEVSA-N 345.403 1.170 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CNC(=O)c1ccccc1 8185589 SXTNITMYZHCQIM-ZIAGYGMSSA-N 332.400 1.749 0 40 EDAB CNC(=O)NC(=O)CCN1CCN(c2nc3cc(C)ccc3o2)CC1 105902450 ZHRSHZBAYQYTJC-UHFFFAOYSA-N 345.403 1.104 0 40 EDAB CC(C)(C)c1n[nH]c([C@@H]2CN([C@@H](C(N)=O)c3ccccc3)CCO2)n1 107057086 CCKXFJKAQDIIET-UONOGXRCSA-N 343.431 1.702 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)n1 25720002 BGDCWKNCQABPQI-UHFFFAOYSA-N 342.443 1.941 0 40 EDAB c1ccc(CN2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)nc1 107738983 RYNNEYGXEHNJQA-FUHWJXTLSA-N 328.416 1.586 0 40 EDAB COCCOc1ccc(S(=O)(=O)N2C[C@@H](C)N[C@H](C)C2)cc1 109067005 ZFNWBPMUVOVEGS-CHWSQXEVSA-N 328.434 1.083 0 40 EDAB CCNC(=O)NC(=O)CN(CC(=O)OCC)Cc1ccc(C)cc1 58159218 HJGVZRMNWKXNQO-UHFFFAOYSA-N 335.404 1.206 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)NCc2ccc(Cl)cc2)CC1 44890949 ACMCYWPMCFQTAT-UHFFFAOYSA-N 331.825 1.127 0 40 EDAB CCCn1nc(C(=O)NC[C@@H](c2cccs2)N(C)C)ccc1=O 27675427 LZXBCPLEAQPFGY-ZDUSSCGKSA-N 334.445 1.748 0 40 EDAB CN(CCS(C)(=O)=O)Cc1cc(Br)cc2c1OCC2 97143284 YCPFWEKNFIRLHT-UHFFFAOYSA-N 348.262 1.860 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CCCN(c3ccccn3)C1)C2 97199245 NRRQWXAGMMENON-HOTGVXAUSA-N 339.443 1.934 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)NC[C@H](O)CN1CCCCC1 44954782 JRFYKZIXGZXSOM-HNNXBMFYSA-N 349.431 1.104 0 40 EDAB CC(C)(C)c1cnc(CN2CCCC[C@@H]2CNS(C)(=O)=O)o1 44914157 FWFUEHHANWIFCO-GFCCVEGCSA-N 329.466 1.876 0 40 EDAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)cc1OC 44966164 IKWLBMSSDZHAKB-WDEREUQCSA-N 329.418 1.623 0 40 EDAB COc1c(CNCc2cccnc2N2CCOCC2)c(C)nn1C 58343023 QUPVVMXASXUFMQ-UHFFFAOYSA-N 331.420 1.259 0 40 EDAB Cc1ccccc1-c1noc(=O)n1CC(=O)NCCCOC(C)C 58305826 WNWZYSRXBXDIGV-UHFFFAOYSA-N 333.388 1.743 0 40 EDAB COc1ccc(C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1OC 56004916 BTCAMQQBNACPBZ-UHFFFAOYSA-N 332.400 1.835 0 40 EDAB O=C(C1CC1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 58344105 XSVPZSXGTHHXTR-INIZCTEOSA-N 328.460 1.852 0 40 EDAB Cc1nn(C)c(N(C)C)c1CN[C@H](C)c1nnc2n1CCCCC2 58405205 FHBCANJFVFFYHV-CYBMUJFWSA-N 331.468 1.963 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)NCCOc2cccc(F)c2)C1 48235250 QAVJQPSRQOOPNF-CYBMUJFWSA-N 347.394 1.922 0 40 EDAB CCN1C[C@@H](CN(C)Cc2nnnn2C2CC2)Oc2ccccc21 48262326 DKMJPICMEZJDBH-CQSZACIVSA-N 328.420 1.727 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NCc2cccs2)on1 45298318 PEDAOIDJNCTNLR-SNVBAGLBSA-N 328.415 1.664 0 40 EDAB O=C(CSc1cccc[n+]1[O-])Nc1cccc(C(=O)NC2CC2)c1 11071346 ZGQSPFZCTSCTLO-UHFFFAOYSA-N 343.408 1.943 0 40 EDAB CCN1CCN(c2ccc(NC(=O)c3ccc(O)nn3)c(C)c2)CC1 28731874 ICZQAPQTQQSULV-UHFFFAOYSA-N 341.415 1.885 0 40 EDAB C[C@]1([C@@H]2CCCN(CCc3ccc4c(c3)CCO4)C2)NC(=O)NC1=O 72300747 KBKRTYPCZKXRLV-DNVCBOLYSA-N 343.427 1.474 0 40 EDAB COC(=O)[C@@](O)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F 2504005 BYYFFXHWQYMWGO-ZDUSSCGKSA-N 330.262 1.397 0 40 EDAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 20798706 IVCSWHQSGBIMFZ-OAHLLOKOSA-N 348.374 1.733 0 40 EDAB COc1cccc(/C=C/C(=O)OCC(=O)NCC(F)(F)F)c1OC 3330241 DQWKWVFSNOAJEH-VOTSOKGWSA-N 347.289 1.939 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2nc(C)cs2)cc1 48374915 VFOUECCATCDJSE-UHFFFAOYSA-N 326.399 1.717 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NCCN1CCc2ccccc2C1 48342894 WGUVGYFBEFXEFN-HNNXBMFYSA-N 327.432 1.629 0 40 EDAB CN1C[C@@H](C(=O)NCc2cccnc2OCc2ccccc2)CC1=O 48413077 HJZAENTYSMQKMC-INIZCTEOSA-N 339.395 1.755 0 40 EDAB CCOC(=O)c1c(NC(=O)c2ccncc2)sc(C(N)=O)c1C 6047190 KLEBJSXZQGAWDO-UHFFFAOYSA-N 333.369 1.979 0 40 EDAB CCOC(=O)c1cnn(C)c1NC(=O)CN(C)Cc1ccc(F)cc1 65530946 PRFAVMPYKIYGBB-UHFFFAOYSA-N 348.378 1.806 0 40 EDAB CCCCn1c(=O)c(CCC(=O)O[C@@H](C)C(N)=O)nc2ccccc21 5335151 XDNXVWAEEJOGDL-LBPRGKRZSA-N 345.399 1.546 0 40 EDAB COCCN1CC[C@@H](CNC(=O)C2=NO[C@H](c3ccccc3)C2)C1 65625859 RUZPIZXJZBMDFN-YOEHRIQHSA-N 331.416 1.589 0 40 EDAB CC(C)CN(C(=O)c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 4504512 MPSDYEXKRPCXAK-ZDUSSCGKSA-N 339.413 1.701 0 40 EDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 65403953 CYRXNAZVDCNFOR-KRWDZBQOSA-N 331.460 1.802 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(OC)c1)n2C 6564534 ZGAFSKQOCCODKQ-UHFFFAOYSA-N 328.372 1.899 0 40 EDAB Cc1cc(CS(=O)(=O)NC[C@H](c2cccc(F)c2)N(C)C)no1 95394570 ISMZIZRBPHQONY-OAHLLOKOSA-N 341.408 1.844 0 40 EDAB COCCNC(=O)COCC(=O)Nc1cccc(C(F)(F)F)c1 9355362 KKKOJFFZVOJGKN-UHFFFAOYSA-N 334.294 1.423 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)[C@@H]1C 15027194 UQAJTAPPTYGPPA-KNCCTNLNSA-N 343.471 1.840 0 40 EDAB CC1(C)CN(C(=O)Nc2ccn(Cc3ccccn3)n2)CC[S@]1=O 84673653 RXFZKZVFVMNTRN-DEOSSOPVSA-N 347.444 1.701 0 40 EDAB CCCS(=O)(=O)CC(=O)Nc1cc(C)c(Br)cn1 84758666 VKXGDAJOUWLJAB-UHFFFAOYSA-N 335.223 1.916 0 40 EDAB NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(O)cc2)cc1 7099435 WTSDPFLCSWVVSY-UHFFFAOYSA-N 337.353 1.275 0 40 EDAB CCCNC(=S)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 15480053 JOLNKAIAIIKYMQ-LBPRGKRZSA-N 348.472 1.967 0 40 EDAB CNC(=O)[C@H](NC(=O)NCC(F)(F)F)c1ccc(F)c(F)c1 67539660 PZRSIUNJJRXFTG-SECBINFHSA-N 325.237 1.613 0 40 EDAB CCOC(=O)CSCC1=C(C(=O)OCC)[C@H](CC)NC(=O)N1 7506473 SUESRXYVYMFMBG-VIFPVBQESA-N 330.406 1.191 0 40 EDAB Cn1c(=O)/c(=C\c2cccc(C#N)c2)s/c1=C/C(=O)C(C)(C)C 96305277 ZCMDZPFGFPYYFG-IEPNIYFGSA-N 326.421 1.543 0 40 EDAB Cc1cc(C(=O)Nc2ccc(C(N)=O)c(C)c2)c2c(=O)[nH]n(C)c2n1 68391907 WIIPDBWMAPFENT-UHFFFAOYSA-N 339.355 1.230 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1=COCCO1 7780024 HOFABRVBHILPNW-UHFFFAOYSA-N 338.385 1.298 0 40 EDAB Cc1ccc(Cl)c(OCC(=O)NC2CCN(CC(N)=O)CC2)c1 71795924 SRZWLWUJSQLFAA-UHFFFAOYSA-N 339.823 1.093 0 40 EDAB O=C(NCCNc1nnnn1-c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 71796037 IVKSEKOWDUZSMU-SJORKVTESA-N 348.410 1.994 0 40 EDAB Cc1nn(C)c(C)c1OC(=O)c1ccc(=O)n(-c2ccccc2F)n1 96487559 WNSSGHALHOIKAP-UHFFFAOYSA-N 342.330 1.941 0 40 EDAB COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cc(OC)ccc1OC 8132743 PBPDNJWMZISWFS-GFCCVEGCSA-N 345.417 1.570 0 40 EDAB CCCn1nnnc1CN1c2cccc3cccc(c23)S1(=O)=O 8100256 MEAXJOYWISBEEQ-UHFFFAOYSA-N 329.385 1.945 0 40 EDAB Cc1ccoc1-c1nnc(CN2CCO[C@H](Cn3cccn3)C2)o1 69376630 SBGCSTIXMXPENP-ZDUSSCGKSA-N 329.360 1.736 0 40 EDAB COC(=O)C1(NC(=O)c2ccc(N3CCCC3)nn2)CCC(C)CC1 69366826 GAUUWYRUGYUAFE-UHFFFAOYSA-N 346.431 1.929 0 40 EDAB CSc1nc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc(=O)[nH]1 9586190 LZGVTFZBJAZRDR-UHFFFAOYSA-N 343.412 1.360 0 40 EDAB Cc1ccccc1CN(C)C(=O)CN1CCO[C@@H](Cn2cccn2)C1 69415742 WCNPYKDBUHHZQC-GOSISDBHSA-N 342.443 1.551 0 40 EDAB CCc1ccsc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 69453374 UKDBCGYQHCGIFU-CQSZACIVSA-N 335.473 1.865 0 40 EDAB Cc1ccnc(NC(=O)CN(C)Cc2nc(N)c3ccccc3n2)c1 69510308 GJWDFRKNEXQYJK-UHFFFAOYSA-N 336.399 1.986 0 40 EDAB NC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCCCO2 69510380 FWUVDMWRAPPOTH-ZDUSSCGKSA-N 333.388 1.511 0 40 EDAB Cn1cnc(CNC(=O)N2CCC(COc3ccccc3)CC2)n1 91774046 XENNNHSDZUAHHC-UHFFFAOYSA-N 329.404 1.816 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2CCC(=O)Nc2cc(C)on2)n1 69629469 IVGBMLBVUCAXND-AWEZNQCLSA-N 332.408 1.685 0 40 EDAB CCc1nc(CN2CCC(CNC(=O)c3cnn[nH]3)CC2)cs1 71896720 QHRCTNDBGKLWPP-UHFFFAOYSA-N 334.449 1.466 0 40 EDAB NC(=O)[C@H]1CCCN1Cc1ccccc1NC(=O)c1ccc(O)nc1 69741739 CYCQSWMRMARPOS-OAHLLOKOSA-N 340.383 1.489 0 40 EDAB COc1ccccc1[C@H]1C[C@H]1NC(=O)NCC(C)(C)N1CCOCC1 69842766 POOAXMAKKUWCCL-HZPDHXFCSA-N 347.459 1.961 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCCN2CC(=O)Nc2cc(C)on2)n1 69874038 OPQQYUYAHHJCRE-AWEZNQCLSA-N 332.408 1.685 0 40 EDAB CS(=O)(=O)Nc1cc(C(=O)NC[C@H]2CCCCO2)ccc1F 71853422 SQMIBMQXRJXHSV-LLVKDONJSA-N 330.381 1.496 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)Nc1ccc2c(c1)CCO2 71847869 BYMKZGGYSUWDKA-UHFFFAOYSA-N 327.406 1.072 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H](c3ccccc3)N(C)C)CC2)on1 71841300 ISBNTLWMWIARSA-GOSISDBHSA-N 342.443 1.930 0 40 EDAB COc1ccc(CCN2C(=O)[C@@H](C)NC2=S)cc1OC(F)F 65585630 DSYVHKNHDPVOSL-MRVPVSSYSA-N 330.356 1.944 0 40 EDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCSCC1 71821006 OICHWEHUMLRPCZ-UHFFFAOYSA-N 330.413 1.258 0 40 EDAB O=C(N[C@H]1CCSc2c(F)cccc21)N1CCS(=O)(=O)CC1 71803919 UEPZAIIRMPTHDI-LBPRGKRZSA-N 344.433 1.803 0 40 EDAB Cc1cc(C(=O)CN2CCC[C@@H]2CS(N)(=O)=O)c(C)n1C1CC1 95431968 ZXFKBAHFZPKYLJ-CQSZACIVSA-N 339.461 1.375 0 40 EDAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)N[C@H]1CCOC(C)(C)C1 95478256 HJQZVTRQWMLGTI-ZDUSSCGKSA-N 347.390 1.918 0 40 EDAB O=C(NCCn1cnnc1C1CC1)c1ccc(N2CCCC2)nc1 72290299 QNALVABBTRMXBO-UHFFFAOYSA-N 326.404 1.581 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 89505764 BYGOWHVHVLXBJW-MFKMUULPSA-N 333.436 1.030 0 40 EDAB COc1ccc([C@@H](CN2CCOCC2)Nc2nccc(OC)n2)cc1 75125739 NFOUFUDDBHLAPH-MRXNPFEDSA-N 344.415 1.979 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NCCc2cn3ccccc3n2)C1 89954650 JEUOIKTVVORGMV-CQSZACIVSA-N 329.404 1.187 0 40 EDAB CCN(CC)C(=O)N1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 89967692 WKVKDNRIMHUCRP-UHFFFAOYSA-N 346.431 1.083 0 40 EDAB Cc1nc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c2ccccn12 76056132 CFKFAFLYHXIMPB-XJKSGUPXSA-N 328.416 1.435 0 40 EDAB CCN(CC)c1ccc(C(=O)N2CCO[C@@H](c3nc(C)n[nH]3)C2)cn1 76046707 QRRFWSKRJXDCIE-CQSZACIVSA-N 344.419 1.568 0 40 EDAB Cn1cnnc1C1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 24693155 ZKOGRFPQHIPFJC-UHFFFAOYSA-N 342.399 1.883 0 40 EDAB C[C@@H]1NC(=S)N([C@H](Cc2ccccc2)C(=O)N2CCCC2)C1=O 69420249 YOBGSVFXURFXNL-GXTWGEPZSA-N 331.441 1.325 0 40 EDAB Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]1CO 121111281 INXKWZVKFVOFEF-LLVKDONJSA-N 341.205 1.679 0 40 EDAB CN(Cc1ccc(OCC(=O)NC2CCCC2)cc1)S(C)(=O)=O 408705528 HXOQBFZDTYEWQL-UHFFFAOYSA-N 340.445 1.516 0 40 EDAB CCN1CCc2ncnc(N3CCN(Cc4ccccn4)CC3)c2C1 65487613 SSFJIGLPUWRASN-UHFFFAOYSA-N 338.459 1.572 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CCCn1cnnn1)CC2 524733874 XZDHVKMKLBLOQO-UHFFFAOYSA-N 331.376 1.055 0 40 EDAB CC(C)C[C@@H](CO)NC(=O)CSCc1nc2ccccc2c(=O)[nH]1 36359905 UJNREVNVSCIPIZ-LBPRGKRZSA-N 349.456 1.680 0 40 EDAB Cc1cc(C(=O)N2CCc3sccc3C2)c2c(=O)[nH]n(C)c2n1 32922861 AOANBXCFDSSUNW-UHFFFAOYSA-N 328.397 1.830 0 40 EDAB COC(=O)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C(=O)OC 24829481 YHQYRGCWKKVWTA-SKDRFNHKSA-N 343.763 1.328 0 40 EDAB COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)n(C)c(C)cc1=O 1547206005 YKZJZZQMARSVPO-LBPRGKRZSA-N 347.367 1.809 0 40 EDAB O=C(c1cccs1)N1C[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 503786564 IRVHCUNEGCCMBX-HUUCEWRRSA-N 329.425 1.869 0 40 EDAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)C2CC2)cc1 61976593 BXJBLCFKBUCPRC-INIZCTEOSA-N 340.445 1.720 0 40 EDAB CC(C)(C)NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 217566120 CPYZVQJQENPQRK-UHFFFAOYSA-N 342.417 1.298 0 40 EDAB COCCn1nnc2c1CCN(c1nc(C3CC3)nc(C)c1OC)C2 565226804 QERDMSSLZVUXGW-UHFFFAOYSA-N 344.419 1.472 0 40 EDAB O=C1N(Cc2ccccn2)C[C@H]2CN(Cc3nccs3)CCN12 77266626 CEQKTCUEEOGIAX-CQSZACIVSA-N 329.429 1.660 0 40 EDAB biogenic,in-vitro Cc1nc(Nc2ccccn2)cc([C@H]2CCN(C(CO)CO)C2)n1 72384849 HOHQSFSPBCHZAB-ZDUSSCGKSA-N 329.404 1.066 0 40 EDAB COCCN1C(=O)CO[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]21 211712830 AAPQPAWMXRDPMT-GJZGRUSLSA-N 326.343 1.023 0 40 EDAB COc1cc(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)ccn1 78988600 HUJRGBYFOYOWHI-SNVBAGLBSA-N 346.309 1.053 0 40 EDAB COc1cccc(C[C@H](C)NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 79036375 INFREFJVDBIQKN-YXJHDRRASA-N 347.459 1.789 0 40 EDAB Cc1ccccc1S(=O)(=O)NC[C@@H](C(=O)O)C1CCOCC1 564854135 JLGHKCXJFRIYLX-CYBMUJFWSA-N 327.402 1.401 0 40 EDAB O=C(O)CN(C(=O)CCOc1ccccc1F)C1CCOCC1 564879118 YGNQCVGBDYZBHD-UHFFFAOYSA-N 325.336 1.687 0 40 EDAB C[C@H](NC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O)c1ccc2c(c1)OCO2 225791750 GYMUAMRCBNXAOE-PLTPCALHSA-N 331.324 1.247 0 40 EDAB COC(CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)OC 49543134 VWXSKCCQNHJAJO-UHFFFAOYSA-N 345.399 1.472 0 40 EDAB biogenic Cc1ccc(Cn2cccc(NC(=O)[C@H]3C[C@@H]3C(=O)O)c2=O)cc1 191652097 UGOMWXFJVZOLEH-KBPBESRZSA-N 326.352 1.864 0 40 EDAB COc1cccc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)c1 85436218 YEKGVVISZGVODM-QGZVFWFLSA-N 345.443 1.796 0 40 EDAB biogenic,in-vitro Cn1nnn(-c2ccc(NS(=O)(=O)C3CCCCC3)cc2)c1=O 75163199 RFMXUOXZROBYGR-UHFFFAOYSA-N 337.405 1.040 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCO2 44891121 ACLSWDGSXKIDGY-PWSUYJOCSA-N 340.401 1.005 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)c(F)c1 331408589 IWMMFINKABWFDO-LBPRGKRZSA-N 339.392 1.884 0 40 EDAB CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2ccco2)C1 192938224 GRSAAADYFOSSEE-OAHLLOKOSA-N 335.429 1.817 0 40 EDAB Cc1ccc(CC(=O)N2CCOC[C@@]3(CC[C@H](CN(C)C)O3)C2)cc1 96160230 HRCOIRBEOGWCBG-UYAOXDASSA-N 346.471 1.876 0 40 EDAB O=C(O)[C@@H]1CN(S(=O)(=O)c2csc3ccccc23)CCO1 582829982 JWKKFCADWRUPOH-JTQLQIEISA-N 327.383 1.375 0 40 EDAB CCN1CC[C@@]2(CCCN(S(=O)(=O)Cc3ccccc3)C2)C1=O 96073927 LJVHLHWXLDZYGM-QGZVFWFLSA-N 336.457 1.851 0 40 EDAB Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H](Cc1ccccc1)C(N)=O)C2 96430733 FMESYMWTBMMNFO-AEFFLSMTSA-N 338.407 1.820 0 40 EDAB CCn1nnc2c1[C@H](COC)CN(C(=O)COc1ccccc1)C2 96045519 KIDIMXSXSDFKBJ-ZDUSSCGKSA-N 330.388 1.449 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)NC3CCC3)O[C@H]2C1 96066285 GRORQSJMZPMXQQ-XKQJLSEDSA-N 333.432 1.940 0 40 EDAB Cn1cc(CN2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)cn1 96074037 WLGAASRNGJNHTN-GOSISDBHSA-N 325.416 1.834 0 40 EDAB Cc1ccc(CN2CCCn3nnc(COCCN(C)C)c3C2)o1 96058825 OVRYRPZPISGLNW-UHFFFAOYSA-N 333.436 1.664 0 40 EDAB Cc1cccc2c(CCNS(=O)(=O)N3CCO[C@H](C)C3)c[nH]c12 96453020 PROSVRQTQGKIBG-CYBMUJFWSA-N 337.445 1.574 0 40 EDAB CCC(CC)c1nnc(NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)s1 330032487 OAKRIOQSUJXMGB-SNVBAGLBSA-N 346.478 2.093 0 40 EDAB COCCOCc1cc(C(=O)N2CCc3[nH]ncc3C2)ccc1F 96426188 HVDTXFLWEHJQRD-UHFFFAOYSA-N 333.363 1.910 0 40 EDAB CC(=O)N1C[C@@H](NC(=O)c2cn(C)nc2C)CC[C@H]1C(F)(F)F 583618813 OMTVORDNCWUXKH-JQWIXIFHSA-N 332.326 1.400 0 40 EDAB C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(N2CCC(O)CC2)cc1 580693537 VAJRJPNFKWTDTM-MLGOLLRUSA-N 331.416 1.045 0 40 EDAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1ccccn1 96116410 YCHDUYWXRZSATO-HNNXBMFYSA-N 336.351 1.891 0 40 EDAB biogenic Cc1noc(C[C@]23COC[C@H]2CN(C(=O)COc2ccccc2)C3)n1 96208664 IIYGKLBJXRPMGI-KDOFPFPSSA-N 343.383 1.475 0 40 EDAB C[C@@](O)(CNC(=O)NCCc1nnc2n1CCC2)c1ccc(F)cc1 95443426 DAAARHPVLDKDPV-QGZVFWFLSA-N 347.394 1.113 0 40 EDAB Cc1ccccc1[C@@H]1CCCN1CCNS(=O)(=O)c1cnn(C)c1 96441381 YWZOOFVRILLTQD-KRWDZBQOSA-N 348.472 1.844 0 40 EDAB O=C(NCc1cncc2c1CCN(C[C@@H]1CCOC1)C2)c1ccno1 96067436 XBFGJAADNAJSFG-ZDUSSCGKSA-N 342.399 1.394 0 40 EDAB C[C@H](NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccs1 95420613 JAZUWCDMXSJQFU-UPJWGTAASA-N 332.491 1.838 0 40 EDAB CC[C@H](CNS(=O)(=O)Cc1ccon1)N1CCc2ccccc2C1 96427680 VIOYUPOJBTXGHD-QGZVFWFLSA-N 349.456 1.931 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1ccncc1 96201033 YTLYSRKOKDNNIK-CVEARBPZSA-N 335.429 1.409 0 40 EDAB CC[C@@H](C)c1cc(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)on1 96423623 QNZNEENLPKSWKE-GFCCVEGCSA-N 348.447 1.661 0 40 EDAB CCCCOC(=O)C(C)(C)NC(=O)CNC(=O)c1ccc(F)cc1 585091176 VDIAQHDMBGLPNI-UHFFFAOYSA-N 338.379 1.794 0 40 EDAB Cc1occc1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2c1cnn(C)c1 96110762 WNCQRSUYOBJWPO-HUUCEWRRSA-N 328.372 1.732 0 40 EDAB C1CCN(CCOCc2nnn3c2CN(C[C@@H]2CCOC2)CCC3)C1 96258990 WMBDJHMZAZCBOY-INIZCTEOSA-N 349.479 1.133 0 40 EDAB CN(C(=O)CCc1ccnn1C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257238262 HKERXMNTLRZGDI-JFIYKMOQSA-N 344.415 1.177 0 40 EDAB CCS(=O)(=O)N1CC[C@@](O)(CN(C)Cc2ccc(F)cc2)C1 257220523 DLCRFYOHFBGXIN-OAHLLOKOSA-N 330.425 1.044 0 40 EDAB O=C(Cn1cccn1)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257227231 FOFQFMBGUPNGGE-CYBMUJFWSA-N 326.360 1.385 0 40 EDAB COCC(=O)N1CC[C@H](Cc2cnc(-c3c(C)n[nH]c3C)cn2)C1 257219554 DHFSSRAOTWKMHZ-CYBMUJFWSA-N 329.404 1.521 0 40 EDAB CCc1cc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)on1 257286404 PLMQIDUJSUBWPY-AWEZNQCLSA-N 330.388 1.688 0 40 EDAB C[C@@H](SCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 62697532 BOQSHKZOHSOMSL-MFKMUULPSA-N 331.434 1.923 0 40 EDAB CCS(=O)(=O)N1CCO[C@@H](CCc2ccnc(N(C)C)c2)C1 257263314 LPHCOKRXZYQUFS-AWEZNQCLSA-N 327.450 1.131 0 40 EDAB Nc1ncc(F)c(CC2CC3(COCCN(C(=O)CC4CC4)C3)C2)n1 257276388 NTMNJWFZXOGWKI-UHFFFAOYSA-N 348.422 1.796 0 40 EDAB Cc1cc(C[C@@H]2COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)ncn1 257283738 OZRNDRBBUQWBKB-HNNXBMFYSA-N 343.431 1.385 0 40 EDAB O=C(NCCC1(O)CCC1)NCc1cccc(N2CCCC2=O)c1 284095564 RURNLSWIIKSMFP-UHFFFAOYSA-N 331.416 1.918 0 40 EDAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@H](CO)C[C@H]1CO 1615587454 ZYZAYUVYQNNYKZ-DOMZBBRYSA-N 349.818 1.649 0 40 EDAB N[C@@]12CCC[C@H]1CN(C(=O)C1(n3cc(Br)cn3)CC1)C2 1615549082 VBPARDQCTZKEQN-GXFFZTMASA-N 339.237 1.475 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@]3(OC(C)C)CCOC3)CC2)nc(C)n1 1615572106 QNDVFOCFTSDGFX-SFHVURJKSA-N 348.447 1.326 0 40 EDAB COC(=O)c1ncoc1COCC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F 599964925 QVJYBHYEYOLGJB-IINYFYTJSA-N 344.314 1.482 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)Nc1nc2c(s1)C(=O)NCCC2 96124405 NRQGOWGVJHPDBQ-UHFFFAOYSA-N 345.380 1.729 0 40 EDAB Cc1cc(NC(=O)N[C@H]2CNC(=O)C2)cnc1N1CCCC[C@H]1C 390835492 OPMSEWAGUIWFQY-TZMCWYRMSA-N 331.420 1.779 0 40 EDAB CC(=O)N1CC[C@H](NCc2nccn2C)[C@H](Cc2ccccc2)C1 585269323 PEXXAIREWSDLTP-MSOLQXFVSA-N 326.444 1.989 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCn2cc(CC(=O)N3CCCC3)nc2[C@H]1C 585097452 KEFCFGBSRRAWFR-NFAWXSAZSA-N 330.432 1.607 0 40 EDAB CO[C@]1(CCC(=O)NCc2cnn(C)c2C)CCCN(C(C)=O)C1 585281045 SCUSOQZQYBYTET-KRWDZBQOSA-N 336.436 1.152 0 40 EDAB CC(C)Sc1ccc([C@@H](C)NC(=O)C[C@@H]2NC(=O)NC2=O)cc1 69772627 VWRITZLZJPPGJX-MFKMUULPSA-N 335.429 1.962 0 40 EDAB O=S(=O)(CCn1cccn1)c1cc2c(cc1Cl)OCCO2 67488141 MKSFUHSZTAGEBH-UHFFFAOYSA-N 328.777 1.782 0 40 EDAB O=S(=O)(N[C@H]1C[C@@H](O)C1)c1ccc(F)c(Br)c1F 1561632633 BOBQWVFYLZGWTF-OLQVQODUSA-N 342.161 1.529 0 40 EDAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)CS(=O)(=O)N(C)C 96010468 QBWDPEFIQDBJMR-CYBMUJFWSA-N 334.441 1.778 0 40 EDAB Cn1nc(CNS(=O)(=O)c2ccc3c(c2)CCO3)c2c1CCCC2 96099194 KAMZSMLTNVMSJX-UHFFFAOYSA-N 347.440 1.712 0 40 EDAB CN1CCN(C(=O)CN2CCCCCC2=O)[C@H](c2ccccc2)C1 41998866 BAQLMIQYZFRTGU-KRWDZBQOSA-N 329.444 1.904 0 40 EDAB Cc1cccc(OC[C@]2(O)CCN(C(=O)c3cccc(O)n3)C2)c1 1615143391 FVTCSIZFOAQVBZ-SFHVURJKSA-N 328.368 1.752 0 40 EDAB O[C@@H]1CO[C@@H](c2nn(-c3ccccc3)c3nc4ccccc4nc23)[C@@H]1O 5496161 QTWIDAWUZRIGSF-OLMNPRSZSA-N 348.362 1.762 0 40 EDAB COC(=O)CNC(=O)C1CCN(c2nc3ccccc3n2C)CC1 12221690 VTKMKCXSIQNRTI-UHFFFAOYSA-N 330.388 1.079 0 40 EDAB C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 12978533 YRNFHOMDIZCECI-LLVKDONJSA-N 348.380 1.518 0 40 EDAB COc1ccc(OC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 15859839 WLNHFOWYWHSQBA-UHFFFAOYSA-N 342.760 1.761 0 40 EDAB CCCC(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1 19501453 ZEZLCEBQARRLFL-UHFFFAOYSA-N 327.432 1.926 0 40 EDAB CN1CCN(C(=O)[C@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)CC1 19589702 OGUYOGIGFGLAEX-XBQLCILLSA-N 340.423 1.821 0 40 EDAB Cc1nnsc1C(=O)N1CC[C@@H](Oc2cc(C)n(C)c(=O)c2)C1 225697773 ITJPTXHZXSKKOM-LLVKDONJSA-N 334.401 1.147 0 40 EDAB CCOc1ccc(N2C[C@H](NC(=O)N3CCOCC3)CC2=O)cc1 5191912 RANJQPMIGRQIRT-CYBMUJFWSA-N 333.388 1.232 0 40 EDAB COC1(CNS(=O)(=O)c2cn(C)c(C(C)C)n2)CCSCC1 244942699 CVQUKQYFVKPEOY-UHFFFAOYSA-N 347.506 1.734 0 40 EDAB O=C(N1CC(Cn2cncn2)C1)C1(c2ccccc2)CCOCC1 827666833 CFMYJVXKYUKKRE-UHFFFAOYSA-N 326.400 1.485 0 40 EDAB Cc1cc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)n2nc(C)cc2n1 1888854066 JEEUCKORFQDKTH-OAHLLOKOSA-N 343.431 1.564 0 40 EDAB O=C(NC1CC1)[C@H]1CN(Cc2ccccc2Br)CCO1 1889098132 VFMXQFQEKKANER-CQSZACIVSA-N 339.233 1.929 0 40 EDAB O=C(c1cc(F)ncc1F)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 1614937863 SFVXRIHAQXFCOD-SWLSCSKDSA-N 337.370 1.543 0 40 EDAB Cc1noc(C)c1CN1CCO[C@@H](C(=O)N2CCC(F)(F)CC2)C1 2087127713 IVSJQPOCIFTFGY-CQSZACIVSA-N 343.374 1.750 0 40 EDAB Cc1csc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)c1 1565555284 WECDMINIUAWAQX-HZSPNIEDSA-N 334.441 1.908 0 40 EDAB O=C(CCc1cncnc1)N1C[C@@H]2CCN(CC3CC3)C(=O)[C@H]2C1 1565542501 IXQTUOCVZLUCJF-HOTGVXAUSA-N 328.416 1.126 0 40 EDAB CSCC[C@@H](O)CNS(=O)(=O)c1cccc2nsnc12 1775967378 OWLRZDWLCSGULY-MRVPVSSYSA-N 333.460 1.084 0 40 EDAB Cc1cc(-c2noc(CNC(=O)c3cc(C(C)(C)C)n[nH]3)n2)no1 575615630 FTTXPXNILSQUFG-UHFFFAOYSA-N 330.348 1.984 0 40 EDAB Cc1cccc(CC(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)c1 19234808 KLOFAACFVGMOMR-INIZCTEOSA-N 336.439 1.989 0 40 EDAB CC(=O)c1cc(CCC(=O)N2CCN(c3ncccn3)CC2)oc1C 30057619 SPEWGCLSZQTCFU-UHFFFAOYSA-N 342.399 1.862 0 40 EDAB C[C@H]1CN(CCNC(=O)CCn2c(=O)oc3ccccc32)C[C@@H](C)O1 40489259 ZQCCFVLSMCDPIZ-OKILXGFUSA-N 347.415 1.210 0 40 EDAB Cc1nnc(NC(=O)Cn2cc(Br)ccc2=O)s1 40487779 CQEGVAOQZLINNP-UHFFFAOYSA-N 329.179 1.409 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)on1 40475627 SIFYJJAEBVRXDS-MRXNPFEDSA-N 341.411 1.879 0 40 EDAB COC(=O)c1sccc1NC(=O)N1CCC(CC(N)=O)CC1 40554321 NRGBFVUXDNVWGB-UHFFFAOYSA-N 325.390 1.654 0 40 EDAB CC(C)(CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1 32473552 BEEDAVHCGUHMKJ-OAHLLOKOSA-N 338.473 1.895 0 40 EDAB CCCN(CCC)S(=O)(=O)NC1CCN(C(=O)C2CC2)CC1 32825694 NVUVLYUXZBSACJ-UHFFFAOYSA-N 331.482 1.344 0 40 EDAB COCCCNC(=O)CN1CCN([C@@H](C)c2ccc(F)cc2)CC1 52685778 YJFJCLHSAKKZRC-HNNXBMFYSA-N 337.439 1.657 0 40 EDAB CN(CCCNS(=O)(=O)c1ccc(Cl)nc1)CC(F)(F)F 32929475 MKKBVOKEYUXOFC-UHFFFAOYSA-N 345.774 1.898 0 40 EDAB Cc1ccc(-n2nnn([C@@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)cc1C 103002290 ZMLPWFLDFUXUJZ-BNOWGMLFSA-N 332.385 1.671 0 40 EDAB CN1CCN(C(=O)c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2)CC1 46921950 JBNYYTXPMMQXHY-KRWDZBQOSA-N 345.443 1.260 0 40 EDAB Cn1ncnc1CNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 76790971 VTPOZRKTUACQAQ-ZDUSSCGKSA-N 337.330 1.376 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN[C@@H](C)C(=O)N1CCCC1 78890565 AZLYWODPXDOEEK-YSVLISHTSA-N 334.464 1.715 0 40 EDAB Fc1cccc(OCCN2CCO[C@H](CNc3cccnn3)C2)c1 78894098 HOSIJHZFXGJFOZ-MRXNPFEDSA-N 332.379 1.807 0 40 EDAB Cc1cc2c(cc1C)O[C@@H](C(=O)NCC(=O)Nc1cccnc1)C2 79900649 ZLTLXNCIOCVTHU-MRXNPFEDSA-N 325.368 1.757 0 40 EDAB CN1CCN(C(=O)CN2CCCCCC2=O)[C@@H](c2ccccc2)C1 41998868 BAQLMIQYZFRTGU-QGZVFWFLSA-N 329.444 1.904 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCO[C@H]2CCCC[C@@H]21 53617151 ZPXOOOGLNUKZDY-RYUDHWBXSA-N 349.412 1.735 0 40 EDAB COc1ccc(C(=O)CSc2nnc3[nH]c(=O)cc(C)n23)cc1 4249990 TXEGZWNIKLLBFC-UHFFFAOYSA-N 330.369 1.710 0 40 EDAB O=C(CN1CCN(Cc2cc(-c3cccs3)on2)CC1)NC1CC1 23249355 RTNNTAFMUVOPAR-UHFFFAOYSA-N 346.456 1.799 0 40 EDAB CCc1nc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)no1 69535788 JDJSHIWSRGINNM-UHFFFAOYSA-N 332.360 1.813 0 40 EDAB Cn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)ccc1=O 69517764 ZNVGCGLAXSBJDF-INIZCTEOSA-N 339.395 1.005 0 40 EDAB CCCCCNC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 42844940 UPNNLYHSTCMIHO-UHFFFAOYSA-N 331.424 1.385 0 40 EDAB CCN1C(=O)c2ccc(C(=O)NCCc3ccco3)cc2S1(=O)=O 54800248 VBEIEJSNAWECHE-UHFFFAOYSA-N 348.380 1.417 0 40 EDAB O=C(c1ccncc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24178311 GNQPYEBQNVVSNX-UHFFFAOYSA-N 339.395 1.811 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)n1 47693944 CREHMDLMLLBLLN-UHFFFAOYSA-N 349.394 1.996 0 40 EDAB Cc1ccc(-c2n[nH]cc2CNC2CCN(S(C)(=O)=O)CC2)o1 42926375 SWPOSGZJAIANDM-UHFFFAOYSA-N 338.433 1.492 0 40 EDAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(-n2ccnc2)nc1 12544575 UPXHUVXCTQCYND-AWEZNQCLSA-N 336.351 1.837 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)COc1cccc(C(N)=O)c1 69518237 MRNYGMKQZKFJGJ-CVEARBPZSA-N 331.416 1.250 0 40 EDAB COc1ccc(-c2nc(CS(=O)(=O)CCC(N)=O)cs2)cc1 55202083 UVDSXGVBZQXBFX-UHFFFAOYSA-N 340.426 1.609 0 40 EDAB O[C@H](COCc1cccs1)CN1CCO[C@H](Cn2cccn2)C1 69536361 DXKLFUBEDRLRLK-GJZGRUSLSA-N 337.445 1.223 0 40 EDAB c1cncc(CN2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)c1 107739690 GAJKUAXIRMEVPE-OALUTQOASA-N 347.459 1.164 0 40 EDAB Clc1cnc(OCCNc2ccc3nnnn3n2)c(Cl)c1 84494167 RDWGWAGQVYXKTB-UHFFFAOYSA-N 326.147 1.712 0 40 EDAB O=C([C@H]1CCCN(c2nccs2)C1)N1CCC[C@@H](n2cncn2)C1 106907603 CUEVPAWEIDAESO-UONOGXRCSA-N 346.460 1.815 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2F)C1 56073262 MMUKLGKUZFNRPF-SNVBAGLBSA-N 348.371 1.864 0 40 EDAB C[C@@]1(c2ccccc2)NC(=O)N(C[C@@H](O)COCc2ccco2)C1=O 25866558 ISQOLKQNSAQLJU-KDOFPFPSSA-N 344.367 1.624 0 40 EDAB NC(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 44152201 QSQWEZRMSLKUCD-UHFFFAOYSA-N 328.303 1.444 0 40 EDAB Cc1nnc2c(=O)n(CC(=O)NCc3ccccc3)c3ccccc3n12 57522888 GFWJJSUVRHWDKY-UHFFFAOYSA-N 347.378 1.669 0 40 EDAB C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCc1nccn1C 108501233 GRTBKZVKYCWXET-DOTOQJQBSA-N 341.459 1.782 0 40 EDAB CC(=O)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccc(C)o3)C[C@@H]21 107197226 KOPXIMOCVMQDGT-NXHRZFHOSA-N 345.443 1.535 0 40 EDAB C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 44719610 PEYHXXIFRYQIEV-WDEREUQCSA-N 331.821 1.658 0 40 EDAB Cc1cc(NC(=O)N(C)C[C@H](O)COCc2ccccc2)n(C)n1 58158294 GHWDUSYDYYXREE-HNNXBMFYSA-N 332.404 1.770 0 40 EDAB CCOC(=O)C(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccccc21 101432428 PZVTVBQBSMWSIX-MRXNPFEDSA-N 338.363 1.954 0 40 EDAB Cc1cccc(OCCNC(=O)N2CCN(c3cnccn3)CC2)c1 44895228 ZYJMVTUYPGEZII-UHFFFAOYSA-N 341.415 1.696 0 40 EDAB CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 100634741 PHKUSXBBVSULHF-CYJAXWMASA-N 327.380 1.922 0 40 EDAB O=C(CCNC(=O)C1CCCC1)NCCC(=O)Nc1ccccn1 44977749 SYYSQSVJENUEMZ-UHFFFAOYSA-N 332.404 1.223 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617586 LCEALLMHIWDAGW-DGCLKSJQSA-N 332.429 1.056 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)NCCc1cn2ccccc2n1 44953506 MTUJCTGZVUDECQ-HNNXBMFYSA-N 338.415 1.987 0 40 EDAB CCN(CC)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 58330829 CMZIFZZNXFDLQW-HNNXBMFYSA-N 339.461 1.053 0 40 EDAB O=C(NCCCOC[C@@H]1CCCO1)c1cnc2sccn2c1=O 48251386 ZRZWJPGKIRRDMM-NSHDSACASA-N 337.401 1.072 0 40 EDAB C[C@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)N1CCCC1 58402052 JBDGFIGJAFNZFE-GFCCVEGCSA-N 337.855 1.944 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCO[C@H]2CCCC[C@H]21 58404139 SCOBAJMIKZSZNH-CABCVRRESA-N 338.429 1.426 0 40 EDAB Cc1oc2nc(SCCCC(=O)NCCCO)nc(N)c2c1C 2259639 ABUROUZAPKAPFT-UHFFFAOYSA-N 338.433 1.793 0 40 EDAB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc(O)cc1 2232804 BJLYSVXGUGCKTE-CQSZACIVSA-N 333.369 1.423 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccc(O)cc2)CC1 36372494 IRAISASWLZJKLO-UHFFFAOYSA-N 334.420 1.139 0 40 EDAB COc1cccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 36390576 REZKOZPCXWOFGI-UHFFFAOYSA-N 339.395 1.813 0 40 EDAB O=C(c1ccncn1)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 107207481 SNAHOLWIQAFJST-PMPSAXMXSA-N 326.356 1.323 0 40 EDAB CCCCn1nc(C(=O)NCCc2ccc3c(c2)OCO3)ccc1=O 26912185 XMNYQYLUPLQXMV-UHFFFAOYSA-N 343.383 1.745 0 40 EDAB Cc1cccnc1NC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 45537762 WSTVOSSXCLALLO-GJZGRUSLSA-N 334.420 1.249 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)NC1CCN(C2CC2)CC1 29094517 BDACDSZEKHSTDK-UHFFFAOYSA-N 346.456 1.591 0 40 EDAB O=S(=O)(NCc1ccc(Br)s1)N1CCOCC1 45810784 DXCLXDOKPXUSFA-UHFFFAOYSA-N 341.252 1.177 0 40 EDAB NC(=O)[C@@H]1CC(C(=O)NCc2cccs2)=NN1c1ccccc1 29435777 VCYHSPSZRUHHQH-AWEZNQCLSA-N 328.397 1.485 0 40 EDAB Cc1noc([C@@H](C)N2CCN(C[C@H](O)COc3ccccc3)CC2)n1 69628423 KBBXSQNGMDWMRB-ZBFHGGJFSA-N 346.431 1.497 0 40 EDAB CN(Cn1nc(-c2ccco2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 12907522 IPSQEXOBEYMHJN-JTQLQIEISA-N 342.446 1.287 0 40 EDAB COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 3615089 WUYCREQUAMASJX-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB CNC(=O)c1cccc(NC(=O)N2CCCN(C(=O)OC)CC2)c1 69771413 QZWTZQLJHLIMPU-UHFFFAOYSA-N 334.376 1.352 0 40 EDAB COc1ccc(CNCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 48783235 WRCAGHMDGLKQOP-KBPBESRZSA-N 342.461 1.224 0 40 EDAB COC(=O)[C@H](CNC(=O)Cn1nc(C)cc1C)Cc1ccc(C)cc1 69701945 GAGMHJQWPNVRAF-KRWDZBQOSA-N 343.427 1.956 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(F)c(F)c1F 13146373 DILRBUZYGHBJNI-IUCAKERBSA-N 338.285 1.994 0 40 EDAB O=C(CN1CCCC[C@H]1Cn1cccn1)NC1CCN(C2CC2)CC1 69813423 AULHKQJGHFSKED-SFHVURJKSA-N 345.491 1.481 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)OCCn2c(C)csc2=O)c1C 8980669 ZOIZOTTZNSYBEP-UHFFFAOYSA-N 338.385 1.807 0 40 EDAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1 69924033 DVYDMHFJDWQBHE-CYBMUJFWSA-N 340.383 2.000 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)c1cc(C)nc2onc(C)c12 70666196 MDWCALBYHZOZKO-NSHDSACASA-N 337.401 1.864 0 40 EDAB biogenic CN(C(=O)Nc1cnn(CC(N)=O)c1)[C@@H]1CCCc2ccccc21 65434949 GZVXEMGMRDFVTM-OAHLLOKOSA-N 327.388 1.910 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)Nc2nnc(-c3ccccn3)s2)C1 65473771 PPKBMEAYMGGWHN-LLVKDONJSA-N 346.416 1.733 0 40 EDAB Cc1cccc(N2CCN(C(=O)NCCCn3cncn3)CC2)c1C 65449528 DCGHDWDJAZJSBQ-UHFFFAOYSA-N 342.447 1.817 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(N2CCNC2=O)c1 65552605 HYVDNQMBLAKRRT-GFCCVEGCSA-N 345.403 1.349 0 40 EDAB COc1ccc(Cl)c(C(=O)O)c1NS(=O)(=O)c1cnn(C)c1 65566487 MYSWMCKUIGHOPW-UHFFFAOYSA-N 345.764 1.581 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1cnc(-c3ccccc3)nc1)CC2 65575575 VLRKPFBHJAFNLU-HNNXBMFYSA-N 334.383 1.788 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCN(CCc2ccccc2)CC1 14161120 UDPSCPHNPLXWMX-UHFFFAOYSA-N 349.456 1.840 0 40 EDAB CCOC(=O)C1=C(CSc2ccccc2C(=O)O)NC(=O)NC1 6508828 RNSQLYZCDQVBSF-UHFFFAOYSA-N 336.369 1.607 0 40 EDAB COC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc(C)c1C 6606182 KEJDUTZSDBSZNA-UHFFFAOYSA-N 341.418 1.583 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2(C)C)cc1 67233787 QVXDQIWXPGAFNX-ZDUSSCGKSA-N 340.445 1.299 0 40 EDAB CC(C)N1CC[C@H](NS(=O)(=O)c2ccc(F)cc2Cl)C1=O 114742967 BGQHCBQQNRCNBC-NSHDSACASA-N 334.800 1.767 0 40 EDAB CCCN1C(=O)C(=O)N(CC(=O)c2cc(OC)ccc2OC)C1=O 7528310 OPDOPTHTRGNOMG-UHFFFAOYSA-N 334.328 1.087 0 40 EDAB COc1ccc(CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1OC 80770828 BHXPUYBQZXWAQB-CQSZACIVSA-N 348.321 1.913 0 40 EDAB CC[C@@H](C)NC(=O)COC(=O)c1nn(-c2ccccc2)cc1OC 7600241 OZKKRYKBGNBYLJ-GFCCVEGCSA-N 331.372 1.952 0 40 EDAB CS(=O)(=O)c1ccc([C@H](O)CNC[C@H]2Cc3ccccc3O2)cc1 69153766 SGUZWMUCWFBYAI-NVXWUHKLSA-N 347.436 1.717 0 40 EDAB O=C(Nc1ccccc1NCC(=O)N1CCNC1=O)c1cccs1 69418121 SZDBETHEUGJVTI-UHFFFAOYSA-N 344.396 1.964 0 40 EDAB COc1ccccc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 69456923 PAHQYFZEEFJUDA-OAHLLOKOSA-N 333.432 1.368 0 40 EDAB O=C(Cc1cccc(F)c1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 96432209 XENNAHPSOFZSPO-CYBMUJFWSA-N 337.376 1.563 0 40 EDAB C[C@H](O)CN1CCN(C(=O)Cc2cccc(Br)c2)CC1 71871470 VSZYGWWAAPJSTB-LBPRGKRZSA-N 341.249 1.517 0 40 EDAB C[C@@H]1CCCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1 71842007 WLXIIZUPKBNGDN-CYBMUJFWSA-N 329.400 1.729 0 40 EDAB Cn1cnnc1CNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 72282668 FPQZQXQHMQNGET-UHFFFAOYSA-N 343.368 1.597 0 40 EDAB COc1c(C)cnc(CN2CCO[C@H](Cn3nc(C)nc3C)C2)c1C 72267561 XBKVJGQCWURTLU-INIZCTEOSA-N 345.447 1.816 0 40 EDAB Cc1ccc(-c2noc(CCC(=O)NCCN3CCOCC3)n2)cc1 20155635 PNXDAANJFBOIDS-UHFFFAOYSA-N 344.415 1.426 0 40 EDAB O=C1CN(C(=O)c2cnn(-c3ccccc3)n2)[C@H]2CCCC[C@H]2N1 98019286 BYYGRYCWXGDLGJ-HIFRSBDPSA-N 325.372 1.151 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(Br)s2)C1=O 408549145 PUUIECQJLXYSDW-QPJJXVBHSA-N 345.174 1.576 0 40 EDAB COC[C@@](C)(NC(=O)/C=C/c1c(Cl)nc2ccccn12)C(=O)O 95989788 SHCLWTKQDFHCPH-LQYUOIDQSA-N 337.763 1.607 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](C)C(=O)N1CCCC1 89534382 ZKEULYQIRQJFHV-GFCCVEGCSA-N 327.384 1.786 0 40 EDAB O=C(NCCc1nnc2n1CCC2)N[C@H]1CCCOc2ccccc21 86373223 CZXKRZUMZAQENP-AWEZNQCLSA-N 341.415 1.980 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75123304 XHUVLNNLIKTWAG-UHFFFAOYSA-N 329.282 1.791 0 40 EDAB O=C(NCCCNC(=O)C1CCC1)NCc1cn2ccsc2n1 89885414 HQMRPNHHQDTGHU-UHFFFAOYSA-N 335.433 1.501 0 40 EDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cnc(N2CCCC2)nc1 89949101 QJUPUMFYTNMQSO-SJORKVTESA-N 331.464 1.813 0 40 EDAB COc1cc(-c2nc(C)c(CC(=O)O)c(=O)[nH]2)cc(OC)c1OC 22124171 PYDSXWVGHISHOB-UHFFFAOYSA-N 334.328 1.398 0 40 EDAB Cc1ccc(CN(C)C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)o1 25449654 IRYGVBIVNJVJKA-UHFFFAOYSA-N 341.367 1.912 0 40 EDAB CCN1CCN(C(=O)c2cn(CC)c3ccc(OC)cc3c2=O)CC1 22235961 YQGSBUVUCIWRKF-UHFFFAOYSA-N 343.427 1.808 0 40 EDAB CCCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244829 ZGJCKZKCPSIRKS-UHFFFAOYSA-N 341.477 1.833 0 40 EDAB CN1C(=O)N/C(=C/c2ccc(I)cc2)C1=O 409190082 VYUVPFFWTWJWIL-RMKNXTFCSA-N 328.109 1.814 0 40 EDAB CN1C[C@@H]2CC[C@H](C(=O)NCC3CC3)N2c2ccccc2S1(=O)=O 306139309 SUJFSCKYCZBIJH-DZGCQCFKSA-N 349.456 1.184 0 40 EDAB CC[C@@H](C)[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C#N)cc1F 547596546 BDWWSFVNGOFIOJ-NOZJJQNGSA-N 328.365 1.817 0 40 EDAB COCCCNC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 408771974 KKEJKMYSFZVRRV-LBPRGKRZSA-N 344.433 1.002 0 40 EDAB COc1cccc(-c2cc(CNC(=O)c3ccc(=O)[nH]c3)no2)c1 38753463 JOVYPEPYBARCLT-UHFFFAOYSA-N 325.324 1.969 0 40 EDAB COc1ccc2nnc(CCC(=O)Nc3ccc(C(C)=O)cc3)n2n1 71284486 KBZXXSOJNSNCFL-UHFFFAOYSA-N 339.355 1.907 0 40 EDAB CNCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3ccccn3)n2)C1 72360906 UXFLPEFMCRTJCE-CQSZACIVSA-N 340.431 1.849 0 40 EDAB Cc1cn(C2CCOCC2)nc1C(=O)NC(C)(C)[C@@H](O)C(F)(F)F 1553626947 NABALKLNHOPBDZ-CYBMUJFWSA-N 349.353 1.975 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2ccncc2)[C@@H]1c1ccccc1 72237989 ULQDRQLZURQIHO-IRXDYDNUSA-N 325.368 1.296 0 40 EDAB Cc1noc(C)c1CC(=O)NCCc1nc(-c2ccccc2)n[nH]1 127048512 OCEDVKVUDQDEKR-UHFFFAOYSA-N 325.372 1.978 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 42533608 TWLVVKDCIFVXFO-KBPBESRZSA-N 330.388 1.533 0 40 EDAB C[C@H](N)C(=O)N1CCC[C@H](CN(C)C(=O)OCc2ccccc2)C1 79412788 OMNWNOIDDVJALA-GOEBONIOSA-N 333.432 1.841 0 40 EDAB Cn1nc(C(=O)N2CCCCC2)cc1OCC(=O)N1CCCCC1 72243034 JRBZYXSYFCOFPT-UHFFFAOYSA-N 334.420 1.438 0 40 EDAB Cc1ccncc1NC(=O)C(=O)NCCN1CCc2ccccc2C1 78554179 ISUQZZHOICNTFZ-UHFFFAOYSA-N 338.411 1.503 0 40 EDAB CC1(C)NC(=O)N(CCN2CCC(OCc3ccccc3)CC2)C1=O 45736410 KMDABSHOOMUZCV-UHFFFAOYSA-N 345.443 1.998 0 40 EDAB NC[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 44528944 DMTGSXUVPZYXOZ-JTQLQIEISA-N 333.251 1.809 0 40 EDAB C[C@@H](NC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O)c1ccc2c(c1)OCO2 225791732 GYMUAMRCBNXAOE-GCDOJLDRSA-N 331.324 1.247 0 40 EDAB CN(C[C@@H]1Cc2ccccc2CO1)C(=O)c1cnn2c1OCCC2 225789821 PUWVXSOTGHYCBU-HNNXBMFYSA-N 327.384 1.879 0 40 EDAB COCc1cc(NC[Si](C)(C)c2ccccc2)n2ncnc2n1 195567270 NFIRJDUBLFIIJP-UHFFFAOYSA-N 327.464 1.837 0 40 EDAB C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccn2ccnc2c1 95450685 MEBHEAVJBIZLEL-CYBMUJFWSA-N 347.378 1.863 0 40 EDAB CCOC[C@H]1CN(S(=O)(=O)c2cccs2)Cc2nccn2C1 96187798 CFRYYKPCNZZCJN-GFCCVEGCSA-N 341.458 1.802 0 40 EDAB O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(C4CCC4)C3)N2C1 514288993 HUASUBIYAKQMMD-RTBURBONSA-N 327.472 1.544 0 40 EDAB biogenic,in-vitro O=C(c1ccco1)N1CCOC2(CCN(C[C@@H]3CCOC3)CC2)C1 96158907 DIDGSTYCQGNWFX-HNNXBMFYSA-N 334.416 1.623 0 40 EDAB COCCNc1ccnc([C@@H]2COCCN2Cc2ccccn2)n1 96220531 OGDFNANVAPTBCY-HNNXBMFYSA-N 329.404 1.503 0 40 EDAB O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccccn3)C[C@@H]21)N1CCCC1 96043435 TVMFDEGMCFNBHA-KZNAEPCWSA-N 329.444 1.931 0 40 EDAB Cc1cc(S(=O)(=O)NCc2cccc(OCC(=O)O)c2)c(C)o1 578295015 LRDPADZZLQUOAN-UHFFFAOYSA-N 339.369 1.838 0 40 EDAB CN(C)CC(=O)NC(C)(C)COc1ncccc1Br 97104316 BJWDIPKJXINCSB-UHFFFAOYSA-N 330.226 1.679 0 40 EDAB COCCn1cc2c(n1)[C@H](CNC(=O)Cc1cccs1)OCC2 96044322 BUPXCXAIVQLHBD-AWEZNQCLSA-N 335.429 1.564 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCC2(CCN(S(=O)(=O)C3CC3)CC2)O1 96061214 OGNNVGFBZYVPJZ-AWEZNQCLSA-N 342.461 1.018 0 40 EDAB Cn1cc(C(=O)N[C@H]2CN(Cc3nccs3)[C@@H]3CCCO[C@H]23)cn1 96186875 OCQOLARSEPPWKZ-GZBFAFLISA-N 347.444 1.038 0 40 EDAB Cc1cc(N2CCC(NC(=O)c3ccn(C)c(=O)c3)CC2)nc(C)n1 96454895 CBPTYOJOTZPMPW-UHFFFAOYSA-N 341.415 1.191 0 40 EDAB CC(C)N(C)Cc1nnc2n1CCN(C(=O)c1cccs1)CC2 96058959 CQVQSRJWWUXEMX-UHFFFAOYSA-N 333.461 1.878 0 40 EDAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1ccc[nH]1)CC2 96070265 XXAGVYHTEWQDEO-ZDUSSCGKSA-N 331.416 1.647 0 40 EDAB CN(C)[C@@H]1CCN(C(=O)c2nc3c(s2)CCCN3C(=O)C2CC2)C1 96264696 KOVKTZSODOPFPS-GFCCVEGCSA-N 348.472 1.608 0 40 EDAB Cn1ccc(CN2CC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)n1 96072393 KUMFYAWJYBMPGU-ZWKOTPCHSA-N 328.416 1.765 0 40 EDAB CCC(CC)n1nc(C)cc1C(=O)N1CCC[C@](O)(c2cnn[nH]2)C1 583618941 KZKIYLVQQCGVLU-QGZVFWFLSA-N 346.435 1.795 0 40 EDAB CNC(=O)N1CCc2cc(C(=O)N(C)C)c(NCC3CC3)nc2CC1 96260590 PKGDZRRHDCYVLQ-UHFFFAOYSA-N 345.447 1.345 0 40 EDAB CN(C)CCOc1cc(C(=O)N2CCC(c3ccn[nH]3)CC2)ccn1 96500638 BEJMJTQFIUVZEN-UHFFFAOYSA-N 343.431 1.765 0 40 EDAB CCOc1ccc(CC(=O)N2CCN(C[C@@H](O)C3CC3)CC2)cc1 85436658 BRDSPHXHRMYHGE-GOSISDBHSA-N 332.444 1.543 0 40 EDAB C[C@H](C[S@@](C)=O)NC(=O)NC1CCN(c2nccs2)CC1 252491961 MAHGQPRLYMUXNH-LADRHHBVSA-N 330.479 1.178 0 40 EDAB CCOc1cccc([C@H](O)CN(C)C(=O)c2cc(O)nc(O)n2)c1 257255062 KFYUQNRLBDANHZ-CYBMUJFWSA-N 333.344 1.092 0 40 EDAB Cn1cc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cn1 25310669 ZALSMBAWTJVYMB-UHFFFAOYSA-N 342.399 1.676 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1cc2ccccc2[nH]1 257322116 WEQXXEJPACEQFB-KBAYOESNSA-N 343.427 1.512 0 40 EDAB COc1ncccc1C(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257287042 POGIEHOSVZIYHQ-CQSZACIVSA-N 342.399 1.541 0 40 EDAB NCCc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 257228028 FSAFGITUJSVYDO-QZTJIDSGSA-N 326.396 1.452 0 40 EDAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)C(=O)Nc1ccon1 253471444 CQEWSNWMHWBVBI-OAHLLOKOSA-N 347.352 1.320 0 40 EDAB Cc1cc(CN(C)C(=O)[C@@H]2CN(c3ccc(F)cc3)CCN2)no1 257210214 BTRHADODGYSEPL-INIZCTEOSA-N 332.379 1.559 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@H](Oc4ncccn4)CCO3)C2)on1 253600811 ZYSRENOFRSJSQG-GFCCVEGCSA-N 330.344 1.226 0 40 EDAB O=C(NCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1=CCCCC1 252570760 XCAVHUQXTSOYCU-CAOSSQGBSA-N 328.412 1.800 0 40 EDAB CC(=O)N1[C@@H]2CN(C(=O)CN3CCCC3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257248620 JEMCYAVQASJZKM-MJQMVNBJSA-N 333.476 1.863 0 40 EDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)c1cc(-c2cccnc2)[nH]n1 257210314 BUBLRALGCWEJNC-OAHLLOKOSA-N 338.371 1.717 0 40 EDAB CN1C(=O)CCC[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CC[C@H]21 257304566 SMGGNDOUHYRHDR-UONOGXRCSA-N 330.384 1.888 0 40 EDAB CS(=O)(=O)Nc1cccc2c1CCN(c1cccc(C(=O)O)n1)C2 263385846 DRTQKMDVFQKXEO-UHFFFAOYSA-N 347.396 1.714 0 40 EDAB Cn1c(=O)oc2ccc(S(=O)(=O)NCCc3ccsc3)cc21 90614326 UZYZDAJMPAPLHT-UHFFFAOYSA-N 338.410 1.714 0 40 EDAB O=C(O)C[C@@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c23)CCO1 1610764656 ZSSRFZSFZVHJBJ-SNVBAGLBSA-N 330.319 1.930 0 40 EDAB Cc1nc(C)n(C2CN(S(=O)(=O)C[C@@H]3CCCC(F)(F)C3)C2)n1 606445774 KPFFZKGLQNEIAM-GFCCVEGCSA-N 348.419 1.907 0 40 EDAB CC(C)(C(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1)C(F)(F)F 1615612223 AKUFGAKJZMNUNS-QMMMGPOBSA-N 333.314 1.129 0 40 EDAB C[C@H](O)CCCN[C@@H]1CCO[C@@]12CCN(C(=O)OC(C)(C)C)C2 1616036461 VXYMPDBNWHSIDW-JJRVBVJISA-N 328.453 1.906 0 40 EDAB COCC(=O)NC[C@H]1CN(C(=O)c2cccc(C)c2)Cc2ccnn21 575405864 KGKSKDHLPQCMFZ-INIZCTEOSA-N 342.399 1.151 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@H]2CCO[C@@H]21 585109278 GBEMIYVWYCAXAS-HLLBOEOZSA-N 332.375 1.263 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CC[C@@]2(CCCO2)C(=O)C1 585289161 NEDDRIQEVZLDCB-SFHVURJKSA-N 327.384 1.846 0 40 EDAB Cc1cc(N2CCN(CCNC(=O)c3ccco3)CC2)nc(C)n1 65564101 UFAJSDYKFSOBPS-UHFFFAOYSA-N 329.404 1.238 0 40 EDAB Cn1cc(Br)cc(NC(=O)NCCc2cn[nH]c2)c1=O 1548453601 XDLJEFKLDOIUCC-UHFFFAOYSA-N 340.181 1.235 0 40 EDAB COc1cccc([C@H]2CN(C(=O)CCc3nccn3C)CCO2)c1 1548672557 UCPMXNOSIQLFRM-MRXNPFEDSA-N 329.400 1.961 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCOCc1ccco1 43753005 AWYYREVFVLGKDU-CQSZACIVSA-N 344.433 1.117 0 40 EDAB CC(C)(CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1 47872565 ISDZQWSKQBTILX-UHFFFAOYSA-N 334.342 1.129 0 40 EDAB CNS(=O)(=O)CC(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C 83609247 LIQCNDDPIXZNMK-MFKMUULPSA-N 346.836 1.178 0 40 EDAB CN(C)c1cc(CNC(=O)NC[C@@H](O)COc2ccccc2)ccn1 89323018 MOXLVTVVTFUXQR-OAHLLOKOSA-N 344.415 1.387 0 40 EDAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1O 5018813 XFBPHTRFPQFMKA-RUDMXATFSA-N 340.719 1.422 0 40 EDAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccccc2)NC(=O)N[C@@H]1C 6053695 XIINNTUQVMEHEN-BZYZDCJZSA-N 344.367 1.762 0 40 EDAB O=C(Cn1cncn1)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 12337422 OIDCDTKHYLDRJZ-CQSZACIVSA-N 328.372 1.467 0 40 EDAB O=S1(=O)NC2(CCN(Cc3cccnc3)CC2)Nc2ccccc21 13267428 KAVAUVHOKTYLGQ-UHFFFAOYSA-N 344.440 1.778 0 40 EDAB COc1cc2[nH]c(O)c(C(=O)NC3CCCC3)c(=O)c2cc1OC 17042587 YYQUUQJESXJRPW-UHFFFAOYSA-N 332.356 1.923 0 40 EDAB Oc1nc(N2CCOCC2)nc2c1CCN(C[C@H]1CC=CCC1)CC2 19014461 VKXBORGFXYHZNO-HNNXBMFYSA-N 344.459 1.776 0 40 EDAB C[C@@H](CNC(=O)c1ccc(Oc2ncccn2)cc1)N1CCOCC1 19456510 WBYMRXXETWXWAG-AWEZNQCLSA-N 342.399 1.719 0 40 EDAB COc1ccc2c(CN3C[C@H]4C[C@@H](O)CN4C[C@@H]3C)cn(C)c2c1 19575993 OTNCHDAXEGVXOT-NUEKZKHPSA-N 329.444 1.826 0 40 EDAB COC(=O)CN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)N(C)C1=S 8091431 PQAMWSJIDWZNAP-WQLSENKSSA-N 348.380 1.046 0 40 EDAB CC(C)N(Cc1ccco1)S(=O)(=O)N1CCC(C(=O)O)CC1 516968225 KGNKHGUKWGIMFN-UHFFFAOYSA-N 330.406 1.531 0 40 EDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)NCc1ccc2c(c1)OCO2 4894131 NEYFOIHIFYBLDL-MRVPVSSYSA-N 347.400 1.167 0 40 EDAB CCc1nc(N2C[C@@H]3CN(c4ccnc(C)n4)C[C@H]3C2)nc(O)c1F 1888854182 FZJMSXVUZNIFKK-RYUDHWBXSA-N 344.394 1.555 0 40 EDAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)C5CCC5)C[C@H]4C3)nn12 1888866739 BIUKEOMDVAQCTB-OKILXGFUSA-N 340.431 1.381 0 40 EDAB Cn1cc(C(=O)N2CCC(COc3ccc4nccn4n3)CC2)cn1 1888879659 NEAAXOGEFDZJDJ-UHFFFAOYSA-N 340.387 1.394 0 40 EDAB OC1(CN2CCN(c3cc(N4CCCC4)ncn3)CC2)CCCCC1 2087124863 LYVKFZRTQHKOBJ-UHFFFAOYSA-N 345.491 1.894 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 9572759 PBHQRJHRSOFMNP-UHFFFAOYSA-N 345.380 1.940 0 40 EDAB O=C(NCC1CC1)c1noc2c1C[C@H](NC(=O)C1CCOCC1)CC2 2055745542 IWQQZIDHAAFNAB-CYBMUJFWSA-N 347.415 1.215 0 40 EDAB Cc1cccc(S(=O)(=O)NC[C@@H](O)c2ccc3c(c2)CCN3C)c1 96362599 VNQLTKOCJAQOBS-GOSISDBHSA-N 346.452 1.999 0 40 EDAB O=S(=O)(NCCCn1cccn1)c1ccc2c(c1)OCCCO2 40504575 LJKUBCWKBZHWOW-UHFFFAOYSA-N 337.401 1.413 0 40 EDAB Cn1ccs/c1=N/C(=O)[C@H]1CCCCN1C(=O)c1cccnc1 101271439 BOAWDTRPJBLNGJ-DOXHGZAWSA-N 330.413 1.604 0 40 EDAB NS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 32656892 ASPLFYREOAKRFY-HNNXBMFYSA-N 337.445 1.096 0 40 EDAB Cn1ccc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)cc1=O 46924838 JETWIIUUUJHARB-UHFFFAOYSA-N 327.262 1.974 0 40 EDAB COc1cccc([C@H]2C(C(N)=O)=C(C)Nc3nc(SC)nn32)c1 8843471 DGJYBRVWSDRTOS-LBPRGKRZSA-N 331.401 1.783 0 40 EDAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)COc1ccccc1C(N)=O 103435205 UVWZQHSVYGJYPE-MBNYWOFBSA-N 347.415 1.815 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccco2)c1C 3290782 LOBSLODKNABJNJ-UHFFFAOYSA-N 348.355 1.874 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCO[C@@H]1CCCC[C@H]1C 53667199 DMDWUYRQKAKHHT-BXUZGUMPSA-N 329.466 1.911 0 40 EDAB CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 22894512 PIPDQMVBKACJSH-LLVKDONJSA-N 330.388 1.689 0 40 EDAB O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6402340 SUGRNDPYSVUSPN-CQSZACIVSA-N 338.429 1.380 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCC(C)C)cc1 6880391 WADIHMPBJNAODQ-UHFFFAOYSA-N 328.434 1.526 0 40 EDAB O=C(CCN1C(=O)COc2ccccc21)NCCc1ccccn1 12538881 FQZWGIXOJJCQNQ-UHFFFAOYSA-N 325.368 1.556 0 40 EDAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 23886439 CULYESAZEWYLMY-GDBMZVCRSA-N 338.473 1.938 0 40 EDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2cccc(C)c2)C(=O)N1 9926907 LWMXTIZSETVGKU-OLZOCXBDSA-N 336.413 1.487 0 40 EDAB Cc1noc(CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)n1 43801805 TYZFFZCCSVZBFV-NSHDSACASA-N 327.431 1.629 0 40 EDAB COc1ccc(C(=O)OCC(=O)NC2CCCC2)c(OC)c1OC 3246676 VUBQHKVRRGIGLS-UHFFFAOYSA-N 337.372 1.928 0 40 EDAB NC(=O)C1CCN(C(=O)CN2CCC[C@@H]2Cc2ccc(F)cc2)CC1 48289733 MZTXAWUQXSPMHM-QGZVFWFLSA-N 347.434 1.557 0 40 EDAB CN(C(=O)CNc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 57717557 FFDOJZIRGWWPIM-JTQLQIEISA-N 348.371 1.345 0 40 EDAB Cc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1-n1cnnn1 48235849 LCSCYPIDHNRYGG-UHFFFAOYSA-N 326.404 1.327 0 40 EDAB COc1ccc(C(N)=O)c(OCc2cc(=O)n3ccc(C)cc3n2)c1 35870826 KKBBGSKMARPNFT-UHFFFAOYSA-N 339.351 1.689 0 40 EDAB CCCNS(=O)(=O)c1ccc(NC(=O)c2cnn(C)c2C)cc1 58014667 OTYMENSUZVGYAS-UHFFFAOYSA-N 336.417 1.669 0 40 EDAB Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)NC(=O)Nc1ccccc1 10213567 LLGHQJYLDBDMFO-VIFPVBQESA-N 332.316 1.459 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](NC(C)=O)C2)c(C)c1 58280424 FTORHMPYXIXHSP-CQSZACIVSA-N 340.445 1.683 0 40 EDAB CCCCc1nc(C)c(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)s1 72290641 SHBYJCYUOOIDAL-OAHLLOKOSA-N 336.417 1.218 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c(C)c1 44915127 HOTKFFRAIZJBNC-UHFFFAOYSA-N 326.418 1.165 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)NCCCn1cccn1 44968384 NTYGTKGJVWGZNA-CQSZACIVSA-N 330.388 1.755 0 40 EDAB O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc(F)c2ncccc12 44935832 HLKACYKUUHZEJZ-GFCCVEGCSA-N 337.376 1.321 0 40 EDAB COc1ccc2oc(C(=O)NCCCNS(C)(=O)=O)c(C)c2c1 44907877 FHOPHJQKGKTSIF-UHFFFAOYSA-N 340.401 1.419 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(c2ncccn2)CC1 27801656 NUQDEKMVENZDAQ-XJKSGUPXSA-N 340.383 1.354 0 40 EDAB CCOc1ccc(-n2ncc(C(=O)N[C@H](C)[C@H]3CCCO3)c2C)nn1 27889167 HUEYSDAGCYJOPG-BXUZGUMPSA-N 345.403 1.667 0 40 EDAB C[C@@H](O)CN(CC(=O)NC(=O)NCC(F)(F)F)c1ccccc1 58358189 QOFNBBOICXRRNI-SNVBAGLBSA-N 333.310 1.262 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)no1 108529133 IHIYWUTUAWFMHH-IRXDYDNUSA-N 342.399 1.494 0 40 EDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 36403528 YCZKDCFPIOJOGW-GDBMZVCRSA-N 329.444 1.988 0 40 EDAB CCCn1nc(C(=O)N(C)C[C@H]2COc3ccccc3O2)ccc1=O 36726408 UPIWSJYGEIHEKT-ZDUSSCGKSA-N 343.383 1.565 0 40 EDAB C[C@H](Nc1ccc(F)c(Cl)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 12813950 JHYWIZISCGRVMA-GXSJLCMTSA-N 348.827 1.925 0 40 EDAB CC(=O)N[C@H](CC(=O)NCc1c(C)cc(C)[nH]c1=O)c1cccs1 12826102 QFHSDZZXBZMEHG-CQSZACIVSA-N 347.440 1.937 0 40 EDAB NC(=O)C1CCC(CNC(=O)c2cccc(N3CCOC3=O)c2)CC1 72314204 GLBJQSMQPLQOIC-UHFFFAOYSA-N 345.399 1.665 0 40 EDAB CCOCCCn1c(S[C@@H](C)C(N)=O)nc2ccccc2c1=O 3500298 DZOKPMFIQBRSRG-NSHDSACASA-N 335.429 1.789 0 40 EDAB O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)Nc1nccs1 9067111 BBRUTZTWJDMGHA-UHFFFAOYSA-N 345.384 1.640 0 40 EDAB COc1ccccc1CNCc1c(C)nn(C)c1N1CCOCC1 65474785 GZNUGSMCGRPUKU-UHFFFAOYSA-N 330.432 1.864 0 40 EDAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)c1nnc2n1CCC2 65449406 NGCUASUTPKGHTR-LLVKDONJSA-N 342.399 1.855 0 40 EDAB C[C@@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1ccccc1 65452995 ABJQFFRHJIHJRK-UKRRQHHQSA-N 339.461 1.861 0 40 EDAB CONC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14093896 MRBCKBNZYLNHRC-UHFFFAOYSA-N 338.429 1.254 0 40 EDAB CCn1c(=S)[nH]c2cc(S(=O)(=O)N3CCOCC3)ccc21 6419141 VJZCFBZBQKGGHL-UHFFFAOYSA-N 327.431 1.740 0 40 EDAB CCCN1C(=O)C(=O)N(CN2CCC[C@@H]2c2ccc(OC)cc2)C1=O 14121030 MJASIUZEPKCIEV-OAHLLOKOSA-N 345.399 1.990 0 40 EDAB CCOc1ccc(CN2CCN(c3ccc4nnnn4n3)CC2)cc1 14181446 IHUSDGOFJFCVGK-UHFFFAOYSA-N 339.403 1.240 0 40 EDAB CC(C)OCC(=O)NCCNC(=O)c1cccc(Br)c1 65626062 IUSFNPVFGWTAKX-UHFFFAOYSA-N 343.221 1.720 0 40 EDAB COC(C)(C)C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 96005103 NMDPJCQZWAQZAG-AWEZNQCLSA-N 340.445 1.844 0 40 EDAB CCOC(=O)CCCNC(=O)c1cccc(NS(C)(=O)=O)c1 5601995 RWHCCFMPIPIQEG-UHFFFAOYSA-N 328.390 1.131 0 40 EDAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc2ccccc2c(=O)[nH]1 15351163 QSKHQRKMBLANPH-UHFFFAOYSA-N 347.378 1.792 0 40 EDAB C[C@@H](NC1CCN(CC(=O)N(C)C)CC1)c1ccccc1N(C)C 93944962 FWSVIUPPANUIAL-OAHLLOKOSA-N 332.492 1.956 0 40 EDAB NC(=O)[C@H]1CCCN1C(=O)CN[C@H](c1ccccc1)C(F)(F)F 81344544 RISCMLUSUDRFDV-DGCLKSJQSA-N 329.322 1.356 0 40 EDAB CN1CCC(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)CC1 95414320 DLABCRNZUWLPOR-OALUTQOASA-N 343.471 1.440 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N[C@H]1CCN(c2ccccc2)C1 71882853 JIESYKGDMYZYIN-AWEZNQCLSA-N 336.457 1.739 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1cccc2nsnc12 70009909 PCRJJHIETWGZTR-VHSXEESVSA-N 333.417 1.216 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(F)cc1 69343083 FVHBKYRPTHBQEY-AAEUAGOBSA-N 345.392 1.605 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cccn4ccnc34)CC2)n1 69349474 CTKYKTGGFNAYCK-UHFFFAOYSA-N 338.371 1.095 0 40 EDAB Cc1ccc(NS(C)(=O)=O)c(C(=O)N[C@H](C)[C@@H]2CCCO2)c1 69434079 QGTGVDCEUOQEKP-RISCZKNCSA-N 326.418 1.664 0 40 EDAB CCn1ccnc1CN1CCN([C@H](C)C(=O)NCC(F)(F)F)CC1 69418043 SDMMNWUUMDTLKT-GFCCVEGCSA-N 347.385 1.088 0 40 EDAB O=C(Cc1ccc(Oc2nccc(C(F)(F)F)n2)cc1)NCCO 71893748 SCAUROLDFAUYOE-UHFFFAOYSA-N 341.289 1.939 0 40 EDAB CCS(=O)(=O)CCn1ccc(NC(=O)c2cc(F)ccc2F)n1 71915525 NRJWNSPYDJIUSY-UHFFFAOYSA-N 343.355 1.848 0 40 EDAB CCn1cc(NC(=O)C2CCN(C(=O)CCOC(C)C)CC2)cn1 69515023 DFXHMFXTVWHNPZ-UHFFFAOYSA-N 336.436 1.895 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@@H]1CCCO1)c1cccc(Br)c1 69584292 IODGHMPGYMVSMF-QWRGUYRKSA-N 327.178 1.271 0 40 EDAB Cc1ccc([C@H]2CSCCN2Cc2cc(=O)n(C)c(=O)n2C)cc1 71909437 ZMDFOHHRLFZBPB-MRXNPFEDSA-N 345.468 1.683 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(Cc3nnc(C4CC4)n3C)C2)n1 69699375 IRHSMWHKSSMEKR-AWEZNQCLSA-N 329.452 1.813 0 40 EDAB Cc1nc(CN2CCCN(C(=O)COc3cccnc3)CC2)cs1 69739140 GGUJVCVMTDWOSY-UHFFFAOYSA-N 346.456 1.960 0 40 EDAB CN(C)S(=O)(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 69739968 XRDUONKKERMQEQ-GFCCVEGCSA-N 331.825 1.184 0 40 EDAB CNC(=O)[C@@H]1CCCN(C(=O)c2cc(Br)ccc2O)C1 69737909 JGESJVHFVAGGNM-SECBINFHSA-N 341.205 1.753 0 40 EDAB Cc1ccc([C@@H](NC(=O)CN[C@@H]2CCc3ncnn3C2)C2CC2)cc1 69743511 NSGOEQZURRABOV-VQIMIIECSA-N 339.443 1.758 0 40 EDAB CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC)C1=O 9691026 UCGDPQQXZKDWIJ-QGZVFWFLSA-N 346.387 1.080 0 40 EDAB COCCN1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 69976564 LTKUYCGXMUQVLI-ICSRJNTNSA-N 348.487 1.706 0 40 EDAB CC(=O)c1cccc(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1 95442286 ROSFJHSIMAKXNL-CYBMUJFWSA-N 325.390 1.174 0 40 EDAB C[C@H](NCCc1cnn(C)c1)c1ccc(S(C)(=O)=O)c(F)c1 95420637 XQVGQBMINDGKEQ-NSHDSACASA-N 325.409 1.856 0 40 EDAB Cc1cccc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)c1O 9752948 PVMYUANAMXOMQP-UHFFFAOYSA-N 334.250 1.246 0 40 EDAB CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1F 97046573 OIRBEWPSWMFTSQ-INIZCTEOSA-N 330.359 1.961 0 40 EDAB CNC(=O)[C@H](Cc1ccccc1)NC[C@@H]1COc2ccccc2O1 97085744 QCXRFKXYOVHBPS-CVEARBPZSA-N 326.396 1.773 0 40 EDAB Cc1cscc1C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 88212818 GVOQGWYHBXEABQ-CQSZACIVSA-N 335.473 1.825 0 40 EDAB O=C(NCCCN1CCOCC1)NC[C@@H]1C[C@]12CCc1ccccc12 88478481 JOXWLGBUQOBFGM-FXAWDEMLSA-N 343.471 1.912 0 40 EDAB CCO[C@@H](C)c1noc(CNC(=O)[C@H]2Cc3ccccc3CN2)n1 95971159 ODYXMFCNTJPVRM-SMDDNHRTSA-N 330.388 1.498 0 40 EDAB CN(CCN1CCN(c2ccccc2)CC1)c1ccncc1C(N)=O 95941129 DNUZXUUUPSZACR-UHFFFAOYSA-N 339.443 1.439 0 40 EDAB Cc1nsc2ncc(C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)cc12 89568254 JTTLZYOVDFHEFZ-LSDHHAIUSA-N 346.456 1.671 0 40 EDAB C[C@@H](N1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1)C(F)(F)F 89598440 NPJZKCRRTKPJPW-OCCSQVGLSA-N 348.413 1.749 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 75124983 FMOCQQMUADDDGV-GFCCVEGCSA-N 329.356 1.376 0 40 EDAB CC(C)CCSCC(=O)NC1CCN(CC(=O)NC2CC2)CC1 75122979 ZQEJARQHQNLOKY-UHFFFAOYSA-N 341.521 1.625 0 40 EDAB Cc1csc(NC(=O)CN2CCC(N3CCN(C)C3=O)CC2)n1 75131536 DZVWFRFYJPGKJU-UHFFFAOYSA-N 337.449 1.222 0 40 EDAB C[C@H](CNC(=O)NC[C@H](c1ccsc1)N(C)C)N1CCOCC1 89900989 RZRODTKCLHWKAK-UKRRQHHQSA-N 340.493 1.371 0 40 EDAB CCO[C@H](C)c1noc(CN2CCO[C@H](CNc3cccnn3)C2)n1 76049834 DODXVCUFZGWKNM-CHWSQXEVSA-N 348.407 1.270 0 40 EDAB Cn1cc([C@@H](O)CNC(=O)Nc2cc(F)ccc2-n2cccn2)cn1 76069938 XXXQNKHJWMEMAX-HNNXBMFYSA-N 344.350 1.600 0 40 EDAB Cc1n[nH]c([C@H]2CN(CC(=O)Nc3nc4c(s3)CCC4)CCO2)n1 76048977 FOQDABGVOYUOJL-LLVKDONJSA-N 348.432 1.070 0 40 EDAB CCC[C@](C)(NC(=O)c1ccc(-n2cncn2)c(F)c1)C(=O)OC 76041393 LBYSDLNTZPCVAB-INIZCTEOSA-N 334.351 1.868 0 40 EDAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C)C[C@@H]2C3)cc1 306126669 FBPAMOQHBYFQJM-RYUDHWBXSA-N 327.388 1.273 0 40 EDAB O=C(O)[C@H](NS(=O)(=O)c1c[nH]c2ncccc12)c1cccc(F)c1 548564740 BISFASCVXVGEJB-CYBMUJFWSA-N 349.343 1.806 0 40 EDAB COc1ccc([C@H]2NNC(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)cc1 409052260 GYSVYFKSEHLGKB-CABCVRRESA-N 345.786 1.823 0 40 EDAB COCCN1[C@@H](C)CN(S(=O)(=O)c2ccc(C)cc2)C[C@@H]1C 36075928 LDKKGXAUAHOUGG-GJZGRUSLSA-N 326.462 1.725 0 40 EDAB NCC1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 36296720 JKUGGSQLMLAGOG-UHFFFAOYSA-N 333.251 1.809 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2nnc(C3CC3)n2C)C1 519195195 DTQUBMLYWUVXER-OLZOCXBDSA-N 343.435 1.650 0 40 EDAB CC1(C)NC(=O)N(c2cccc(NC(=O)c3nccnc3N)c2)C1=O 560017387 DPDDVPRGBPSFRK-UHFFFAOYSA-N 340.343 1.146 0 40 EDAB COCCOc1ncccc1NS(=O)(=O)[C@@H]1CCCC[C@@H]1O 78552074 XTHQZTPOCDZOFV-QWHCGFSZSA-N 330.406 1.152 0 40 EDAB COCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCC(C)C 217423906 ZRSSRSWMQFBPQP-UHFFFAOYSA-N 344.433 1.768 0 40 EDAB COCCN1[C@@H](C)CN(C(=O)c2ccccc2-n2ccnn2)C[C@@H]1C 183740522 XNTICIYCKYEGGK-GJZGRUSLSA-N 343.431 1.449 0 40 EDAB O=C(O)CNC(=O)CCn1ccc2cc(Br)ccc21 36369919 MJIKTVRBZXZCHJ-UHFFFAOYSA-N 325.162 1.995 0 40 EDAB biogenic Cc1cc(Nc2ncccc2C)nc([C@H]2CCN(C(=O)CN)C2)n1 72382988 OOGRSIVPSFQHGP-ZDUSSCGKSA-N 326.404 1.507 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)COC 217432017 YYKKETWLDBOCGZ-MNOVXSKESA-N 344.433 1.908 0 40 EDAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(CC(=O)N(C)C)C2)n1 72382729 QJBUYVULYRQPNG-CQSZACIVSA-N 340.431 1.801 0 40 EDAB Cn1cnnc1CCNC(=O)c1csc(Cc2ccccc2)n1 79001135 AFFLJWROADZDLV-UHFFFAOYSA-N 327.413 1.835 0 40 EDAB Cc1cc(C)nc(-n2cc(C(=O)OCCn3cccn3)c(C)n2)n1 76877053 XALLPDVSDXKYNG-UHFFFAOYSA-N 326.360 1.641 0 40 EDAB O=S1(=O)CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)C1 40227549 LWDFQEIMKPKFBE-UHFFFAOYSA-N 333.348 1.147 0 40 EDAB Cc1ccccc1-n1nccc1NC(=O)N[C@H]1CCc2ncnn2C1 133394082 QNAYXEZVGJYCPH-ZDUSSCGKSA-N 337.387 1.909 0 40 EDAB C[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)[C@@H]1C[C@H]2CC[C@H]1C2 225427136 AZWICPUYWQDOJM-OSFYFWSMSA-N 349.456 1.425 0 40 EDAB Cn1cnc(CNC(=O)N2CCC(O)(c3ccccc3Cl)CC2)n1 192541856 RTAHONZGTOOZKQ-UHFFFAOYSA-N 349.822 1.662 0 40 EDAB C[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@@H](C)N1C[C@H](O)C(F)(F)F 191136682 YNALHFYPTNBIKU-IMSYWVGJSA-N 338.292 1.227 0 40 EDAB CC(=O)Nc1nc(CC(=O)NCCOc2ccc(F)cc2)cs1 44174716 BPISIXNPDNSRPG-UHFFFAOYSA-N 337.376 1.978 0 40 EDAB O=C(NCc1nccc(N2CCOCC2)n1)c1c(F)cccc1F 224168952 UJPDOPOFYBOEBM-UHFFFAOYSA-N 334.326 1.521 0 40 EDAB COC(=O)[C@@H](NCC(=O)N1CCc2[nH]c3ccccc3c2C1)C(C)C 195572110 BDKVUGCLLCAZQJ-SFHVURJKSA-N 343.427 1.840 0 40 EDAB COC(=O)[C@@H]1C[C@H](N2CCC(N(C)c3ccccc3)CC2)[C@H](O)C1 195535713 MWXZCIWSPROVKE-FHLIZLRMSA-N 332.444 1.900 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C(N)=O)c(Cl)cc1F 96472730 OJZBBDSBFDLTEB-LDYMZIIASA-N 334.800 1.720 0 40 EDAB CN(CCO)C(=O)CN1C(=O)c2ccccc2Sc2ncccc21 96223206 JLTOMZXVDWFTNO-UHFFFAOYSA-N 343.408 1.644 0 40 EDAB Cc1ccoc1C(=O)NC1CCN(CCOC[C@@H]2CCCO2)CC1 96421090 JYWXOGXJXQSDRK-INIZCTEOSA-N 336.432 1.978 0 40 EDAB Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(CC(=O)N2CCCCO2)C1 96207451 BVGWYINMBFDSMO-QAPCUYQASA-N 349.431 1.684 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccccc2F)O1 96186945 PQTXEEAOZZRNTI-ZACQAIPSSA-N 336.407 1.710 0 40 EDAB Cc1cc(C[C@H](C)NC(=O)Nc2cccnc2-n2cncn2)n[nH]1 97099473 AASKFCXJKIKDID-JTQLQIEISA-N 326.364 1.447 0 40 EDAB Cc1ccsc1C(=O)N1CCn2cc(Cn3cncn3)nc2C1 96068000 WYNBZLSRNHHQHI-UHFFFAOYSA-N 328.401 1.549 0 40 EDAB O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)[C@@H]1CCCOC1 96466864 XBGNEXKLVQLGRI-IAGOWNOFSA-N 330.428 1.620 0 40 EDAB Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(=O)N(C)C)s1 96056538 YAEMABOYAGKLRF-HUUCEWRRSA-N 335.473 1.710 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1cccs1)C2)c1ccno1 96108471 AAEJGPJIMWSLHY-WBMJQRKESA-N 333.413 1.615 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 96108150 FCIVQKOXXZTKAT-WMLDXEAASA-N 329.400 1.591 0 40 EDAB O=S(=O)(c1cncc(Cl)c1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 583616415 OREHPRFEZBHLTD-BFHYXJOUSA-N 346.836 1.286 0 40 EDAB O=C(c1ccncn1)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 97953775 NGFJORQHFDHSQS-SOUVJXGZSA-N 344.346 1.462 0 40 EDAB COc1cc(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)ccc1F 583618222 STTZTMILMHMGAP-KRWDZBQOSA-N 348.378 1.740 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NCc2ccc(N3CCCC3)nc2)C1 95412221 QNTPEGRXURFDGX-HNNXBMFYSA-N 338.477 1.195 0 40 EDAB CN(C)C(=O)COC[C@]12COC[C@H]1CN(CCc1ccccc1)C2 96108705 WSGJIXGBLFVVQU-MJGOQNOKSA-N 332.444 1.282 0 40 EDAB O=C([C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1)N1CCOCC1 96040998 BPJPDJWTMLBFOA-FHWLQOOXSA-N 344.455 1.567 0 40 EDAB O=C(N[C@@H]1CN2CCOC[C@@H]2[C@H]1OCc1ccccn1)c1ccoc1 96068916 VPHQQXGRENCZRL-ZACQAIPSSA-N 343.383 1.073 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1Cc2cc(F)ccc2O1 96418237 DSEQKJCEMVTMNO-ZBFHGGJFSA-N 342.374 1.704 0 40 EDAB O=C(/C=C/c1ccc(Cl)cc1)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@H]21 585080862 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EDAB COc1ccc([C@H]2CN(Cc3cnn(C)c3)CCN2C(C)=O)cc1 257281549 OPSUAGNFJQXOEZ-GOSISDBHSA-N 328.416 1.834 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)CN(C)C2CCCC2)CCO1 257248645 JEPJXALHCUIFSC-CQSZACIVSA-N 333.436 1.293 0 40 EDAB Cc1ccc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)c(=O)n1C 257215834 CRVXMIWOPQTFPU-ZDUSSCGKSA-N 342.399 1.308 0 40 EDAB CNC(=O)c1cnn2c([C@@H]3CCCN(c4ccccn4)C3)ccnc12 257201605 AIHRLKSFNHHPGG-CYBMUJFWSA-N 336.399 1.868 0 40 EDAB Cc1ccn(CCC(=O)N[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)n1 257239037 HNQNSGYXEGDKEQ-BFYDXBDKSA-N 330.388 1.064 0 40 EDAB CC(C)S(=O)(=O)N1CCCC[C@H]1c1[nH]ncc1S(C)(=O)=O 257202151 AKSIYBFFKFAUAF-JTQLQIEISA-N 335.451 1.078 0 40 EDAB Cn1ccnc1-c1cncc(C[C@@H]2CCN(C(=O)c3ccccn3)C2)n1 257262894 LNMTVLYVGNHLCQ-AWEZNQCLSA-N 348.410 1.977 0 40 EDAB O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 270071584 OEHNUANUIRUIOS-HUUCEWRRSA-N 340.431 1.973 0 40 EDAB CN(C)c1ccc([C@H](O)CNS(=O)(=O)c2ccccc2F)cc1 90611845 LBUPPNNAZMRCKT-OAHLLOKOSA-N 338.404 1.904 0 40 EDAB CSCc1cccc(NC(=O)N2CCn3nnc(CO)c3C2)c1 602841028 PPJSCQIPICQCMA-UHFFFAOYSA-N 333.417 1.681 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H]1c1noc(Cn2ccccc2=O)n1 1615055174 HTMOJCYWESQRPX-NSHDSACASA-N 332.360 1.962 0 40 EDAB CCOc1ccccc1S(=O)(=O)N1CCC(S(C)(=O)=O)CC1 96098232 BVABLWSSWVOGAZ-UHFFFAOYSA-N 347.458 1.283 0 40 EDAB O=C1CCCN1c1cncc(CNS(=O)(=O)c2ccccc2F)c1 575609683 ZXQHTALVDMQXOB-UHFFFAOYSA-N 349.387 1.826 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 585277143 KLGVPZGEXGTHSY-GOSISDBHSA-N 337.391 1.385 0 40 EDAB O=C(N[C@@H](c1ccc(F)cc1)c1ncc[nH]1)[C@@H]1CCS(=O)(=O)C1 585124098 WYESQLKLWYJICQ-YPMHNXCESA-N 337.376 1.189 0 40 EDAB CCN1CCN(C[C@@H](C)CNC(=O)COc2ccc(F)cc2)CC1 69621572 CULQKQVPDAMYEQ-HNNXBMFYSA-N 337.439 1.594 0 40 EDAB c1ccc(-c2noc(CN3CCC[C@@H](Cn4cncn4)C3)n2)nc1 69622633 ZXZVPSAMCYSWFE-CYBMUJFWSA-N 325.376 1.635 0 40 EDAB CN(Cc1ccco1)C(=O)CN1CCN(C[C@H](O)C(C)(C)C)CC1 69652460 HYLJMYYMXOTHPI-INIZCTEOSA-N 337.464 1.263 0 40 EDAB C[C@@H](Cc1ccccc1F)NC(=O)N(C)[C@H](C)CS(C)(=O)=O 69931576 IEOLVQTWLACIOL-NWDGAFQWSA-N 330.425 1.831 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NCc2ccccc2C)on1 44643209 NPJNFWLNCDVNGR-CYBMUJFWSA-N 336.413 1.911 0 40 EDAB C[C@@H]1CN(C(=O)CCn2nc(-c3cccs3)oc2=O)[C@H](C)CO1 45448519 FJMKDCWCDCZAGL-GHMZBOCLSA-N 337.401 1.591 0 40 EDAB COC(=O)Cn1ncc2c(N[C@@H](C)C(C)(C)CN(C)C)ncnc21 72296163 QOELQJCSHTZNTL-NSHDSACASA-N 334.424 1.388 0 40 EDAB C[C@H]1CN(C(=O)CCNC(=O)c2ccc(F)c(F)c2)C[C@H](C)O1 58280933 QGULMUJWBRUHJN-QWRGUYRKSA-N 326.343 1.721 0 40 EDAB CO[C@@H]1CCN(C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 1565522966 WFKLANSACNAXKD-CQSZACIVSA-N 342.436 1.700 0 40 EDAB CNC(=O)C1(NS(=O)(=O)N2CCC[C@H]2c2ccco2)CCCC1 83881791 GJNQDJMFRFBUFU-LBPRGKRZSA-N 341.433 1.310 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc2ccccc2[nH]c1=O 97201332 XZNHHYJFZDKRNH-SFHVURJKSA-N 348.406 1.596 0 40 EDAB Cc1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H](O)C2)nc(O)n1 1615085642 GXVBSIZDXAQZDN-GDBMZVCRSA-N 327.384 1.556 0 40 EDAB O=C(NC1COC1)[C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595920 SLODMBUSPQRVIC-RYRKJORJSA-N 346.402 1.732 0 40 EDAB CO[C@@H]1Nc2c(ccc(C)c2O)C(=O)N2C=C(/C=C/C(N)=O)C[C@@H]12 17420434 YRMCBQLZVBXOSJ-XVBBPSCPSA-N 329.356 1.239 0 40 EDAB Cc1noc(C)c1C(=O)N1CCC[C@H](Oc2nccnc2N(C)C)C1 225505259 TYVOZEBDTAYGJQ-ZDUSSCGKSA-N 345.403 1.831 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2coc(CC3CC3)n2)C1 583619606 GCLRSUUMBFRAKM-YPMHNXCESA-N 331.376 1.656 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cccc3cccnc23)c1 11476219 RLQILDZUWBQVQW-UHFFFAOYSA-N 343.408 1.695 0 40 EDAB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(F)cc1 16379808 AJOMQDOSCXQRDW-SWLSCSKDSA-N 342.436 1.292 0 40 EDAB Cc1cc(CC(=O)N2CC[C@@H]3OCC(=O)N(C(C)C)C[C@H]3C2)on1 2037984883 QKIAZJCWSMKGAK-HIFRSBDPSA-N 335.404 1.010 0 40 EDAB O=C(N1C[C@H](OCC2CCOCC2)[C@H]2OCCC[C@H]21)C1(F)CC1 1565546697 DGWNVLHYLCQMAR-ILXRZTDVSA-N 327.396 1.690 0 40 EDAB COCCN1CCCC2(CCN(C(=O)c3csnn3)CC2)C1=O 1565544330 IMYSIOBEVNYCOM-UHFFFAOYSA-N 338.433 1.029 0 40 EDAB O=C(Cn1ccc2ccccc21)N1CCN(c2cnsn2)CC1 1565522863 ANITYKMRNJWTFU-UHFFFAOYSA-N 327.413 1.842 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@H]1COC2(CCCCC2)O1 4941294 CMNLXEYCKHMCJU-LBPRGKRZSA-N 338.429 1.556 0 40 EDAB CCS(=O)(=O)NCCOc1ccc2nnc(-c3ccccc3)n2n1 13538739 DUTLSVNWOASWGG-UHFFFAOYSA-N 347.400 1.109 0 40 EDAB O=C(NCC1CC1)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713553 FJCZSZCATHBQJY-AWEZNQCLSA-N 330.432 1.598 0 40 EDAB Cc1ccc(C(=O)N2CCC(C(=O)N(C)C)(n3cccn3)CC2)nc1 2055772875 PHFUSAAXBAVMPT-UHFFFAOYSA-N 341.415 1.306 0 40 EDAB O=C([C@@H]1CN(c2ncc(Cl)cn2)CCO1)N1CCC(F)(F)CC1 2086884332 CVRBZLQPUUUZEX-NSHDSACASA-N 346.765 1.593 0 40 EDAB CCc1ccccc1NC(=O)CCc1c(C)[nH]c2ncnn2c1=O 12390873 UHYPGTPMXQWQDL-UHFFFAOYSA-N 325.372 1.860 0 40 EDAB O=C(Nc1ncccc1O)c1cccc(S(=O)(=O)N2CCCC2)c1 23080549 VOZPUHVHPBYIPD-UHFFFAOYSA-N 347.396 1.824 0 40 EDAB CC(C)N1C[C@H](C(=O)NCc2cccnc2-n2cccn2)CC1=O 31226867 GIPBSDKAZYKAII-CQSZACIVSA-N 327.388 1.140 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNc2cc(Cl)nc(N)n2)cc1 40497776 GEAUPRORDILVRN-UHFFFAOYSA-N 341.824 1.374 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 40554176 XTBBBCOHDWOZCN-GJZGRUSLSA-N 338.429 1.378 0 40 EDAB C[C@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(F)cc1 102404226 RXYHPQMIOPILJK-CQDKDKBSSA-N 330.359 1.954 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CN1CCC(O)CC1)c1ccccc1 32878954 FWGLRHDUFHPUIY-KRWDZBQOSA-N 328.416 1.082 0 40 EDAB CCN(CC)S(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1 481274 WVXXSUKHZKQJKJ-UHFFFAOYSA-N 340.493 1.643 0 40 EDAB CN(CCOc1ccccc1Cl)C(=O)CC[C@H]1NC(=O)NC1=O 52987636 HALPYYIGJCYFBS-LLVKDONJSA-N 339.779 1.165 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)NCC4CCCC4)CC3)ncnc21 47013564 VYOUREZAVHJPJC-UHFFFAOYSA-N 343.435 1.385 0 40 EDAB CS(=O)(=O)N(CC(N)=O)c1ccc(OCc2ccccc2)cc1 571796 BBUISJGITXVTKH-UHFFFAOYSA-N 334.397 1.517 0 40 EDAB C[C@@H]1CN(C(=O)NCCS(=O)(=O)Cc2ccccc2)CCO1 47070675 FAGUZIORTVAMCJ-CYBMUJFWSA-N 326.418 1.032 0 40 EDAB NC(=O)c1cnc(N2CCN(Cc3cccnc3)CC2)c(Cl)c1 47255240 FOUBXWOUYODZOB-UHFFFAOYSA-N 331.807 1.551 0 40 EDAB C[C@H]1CCCC[C@H]1OCCn1cc(S(=O)(=O)N(C)C)ccc1=O 47368701 NMXSHJSLINNUEG-DZGCQCFKSA-N 342.461 1.694 0 40 EDAB O=C(NCCNc1cnccn1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 47492425 JQCDOROTTHURLM-OAHLLOKOSA-N 339.399 1.053 0 40 EDAB Cc1cc(C)n(CCC(=O)N2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)n1 78889502 WTEJUBSJENAPCT-CQSZACIVSA-N 346.435 1.732 0 40 EDAB C[C@@H](NC(=O)N1CCO[C@H](CO)C1)c1ccc(Br)cc1 78830542 ZYAZBUIINLGXHN-MFKMUULPSA-N 343.221 1.913 0 40 EDAB Cc1ccc(CCCC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)s1 79893072 RJUCHNYBWPRKGK-CYBMUJFWSA-N 344.502 1.906 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)Nc1cccc(Br)c1 42105226 BHMDNYWIZGTZRL-UHFFFAOYSA-N 347.234 1.118 0 40 EDAB C[C@@]1(NC(=O)c2cncc(Br)c2)CCS(=O)(=O)C1 42200145 OEDGKLGKADUSRA-LLVKDONJSA-N 333.207 1.151 0 40 EDAB CC(C)NC(=O)Nc1ccc2c(c1)ncn2CC(=O)NCCN(C)C 61720150 RRSJLTOHEWMELQ-UHFFFAOYSA-N 346.435 1.244 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)on2)sc1C 6680204 LECKFRLKDIEAJC-UHFFFAOYSA-N 329.403 1.903 0 40 EDAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCC(=O)O 6951510 ALYZZRMCBCRAGM-YRNVUSSQSA-N 334.328 1.461 0 40 EDAB C[C@@]1(NS(=O)(=O)c2ccc3ccccc3c2)CCS(=O)(=O)C1 7304215 SIGBTGDQBRGPQP-OAHLLOKOSA-N 339.438 1.695 0 40 EDAB CNC(=O)[C@H]1CN(CC(=O)Nc2cccc(C)c2)c2ccccc2O1 12516995 QRZKYQAQIPVFFH-QGZVFWFLSA-N 339.395 1.947 0 40 EDAB Cn1cnnc1C1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1 24694440 MFHXIZJSFNXLCV-UHFFFAOYSA-N 326.360 1.818 0 40 EDAB CCCN1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2)CC1 55106325 QIZLYXGYYQYTLG-UHFFFAOYSA-N 335.423 1.890 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1CCn1c(C)csc1=O 47852777 QLXIYVZMAOPGKG-OAHLLOKOSA-N 331.441 1.391 0 40 EDAB CCCNC(=O)CNC(=O)c1nnn(-c2cccc(Cl)c2)c1C 55214181 YJDUUBQDBAJECL-UHFFFAOYSA-N 335.795 1.485 0 40 EDAB O=C(c1cncn1-c1ccccc1)N1CCC(N2CCNC2=O)CC1 55786679 QGUWXLSLSFTUON-UHFFFAOYSA-N 339.399 1.502 0 40 EDAB Cn1nc2c(cc1=O)CN(CC(=O)N1CCC[C@@H]3CCCC[C@H]31)CC2 106919658 FELQQQQFYKAGER-WMLDXEAASA-N 344.459 1.320 0 40 EDAB COCCN1CCO[C@H]2CCN(Cc3cc(F)ccc3F)C[C@@H]21 108528494 LUGJICLXGOKZNO-IRXDYDNUSA-N 326.387 1.886 0 40 EDAB O=C(NC[C@@H]1COCCO1)c1cnn(-c2ccccc2)c1C1CC1 55847289 JGZZMAZOYCFRFO-OAHLLOKOSA-N 327.384 1.895 0 40 EDAB COC(=O)c1n[nH]c(NC(=O)c2cccc(Br)c2)n1 12602630 NSERVGPHFYOIRW-UHFFFAOYSA-N 325.122 1.606 0 40 EDAB CCCCN1C(=O)C(=O)N(CCn2c(=O)oc3ccccc32)C1=O 26010345 DHDLEGSJWQUUCB-UHFFFAOYSA-N 331.328 1.185 0 40 EDAB CC[C@@]1(C)NC(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 57495317 IJXNPHRIVNTAAR-FQWGAIOXSA-N 333.432 1.792 0 40 EDAB Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)ccc1Br 62132441 QERDNSIYTOIKNS-SECBINFHSA-N 348.218 1.853 0 40 EDAB CCN1C[C@H](CN(C)C(=O)[C@@H](C)n2cncn2)Oc2ccccc21 48273246 RLIUPTCEGBNXKO-KGLIPLIRSA-N 329.404 1.585 0 40 EDAB Cc1nn(C)c2cnn(CCCNC(=O)c3ccc4c(c3)OCO4)c12 57279055 MYEGOWZFSFDSFA-UHFFFAOYSA-N 341.371 1.627 0 40 EDAB CC(C)(C)OC(=O)NC(C)(C)C(=O)NCC(C)(C)N1CCOCC1 58007405 BAWCHEINHSCODX-UHFFFAOYSA-N 343.468 1.517 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N1CCCN(c2nc(C)cs2)CC1 58157772 MHLSAUAUGBRIDN-GFCCVEGCSA-N 339.465 1.198 0 40 EDAB O=C(C[C@@H]1C=CCC1)NCC(=O)N1CCN(c2ccccc2)CC1 58178329 DJDBGQOLEVAPDY-MRXNPFEDSA-N 327.428 1.808 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)CCC2 57449208 LECNMBITYPYYGX-UHFFFAOYSA-N 337.427 1.726 0 40 EDAB Cc1cccc(NC(=O)CCNC(=O)[C@@H]2COc3ccccc3O2)n1 58177961 RIKDZQPMLGLRGH-HNNXBMFYSA-N 341.367 1.675 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1OC 44917162 UORGGZCZOKZCKV-LBPRGKRZSA-N 340.445 1.466 0 40 EDAB C[C@@H](C(=O)NCc1ccnc(Oc2ccccc2)c1)S(C)(=O)=O 44952454 ARXFVEOXAMCTTM-LBPRGKRZSA-N 334.397 1.923 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCC(NC(=O)c3cnn(C)c3)CC2)n1 44950295 HUCCDYLNNDHEEE-GFCCVEGCSA-N 346.435 1.882 0 40 EDAB CS(=O)(=O)c1ccc(-n2nnnc2CNc2ccccc2F)cc1 58438352 PNKALUOLDRGMJS-UHFFFAOYSA-N 347.375 1.817 0 40 EDAB Cc1nn(C(F)F)cc1S(=O)(=O)NC[C@H](C)Cn1nccc1C 36614540 FLFHYPIRVANHTJ-VIFPVBQESA-N 347.391 1.706 0 40 EDAB COc1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccn1 29195926 GLYCGBWKTOBFLG-MRXNPFEDSA-N 339.395 1.755 0 40 EDAB Cc1cn2nc(NC[C@@]3(N4CCOCC4)CCSC3)sc2n1 29626111 RFSJZUIOCOCMCZ-AWEZNQCLSA-N 339.490 1.719 0 40 EDAB CC(=O)Nc1ccc(F)c(NCC(=O)Nc2ccc(C(N)=O)cc2)c1 29984871 OPANRUZTCDTWMG-UHFFFAOYSA-N 344.346 1.934 0 40 EDAB COC(=O)CCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 12986240 SBLUARGOLWWWGG-LLVKDONJSA-N 338.791 1.762 0 40 EDAB C[C@@H](Sc1nc2c3ccccc3ncn2n1)C(=O)N1CCOCC1 12907672 KRLPAFMUXOVXPD-LLVKDONJSA-N 343.412 1.617 0 40 EDAB NC(=O)Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21 67318171 ACQJHOHJCUKENL-UHFFFAOYSA-N 347.334 1.599 0 40 EDAB O=C(COC(=O)c1ccc[nH]c1=O)N[C@@H]1CCCc2ccccc21 13637326 AHLBOEHDXUKWKX-OAHLLOKOSA-N 326.352 1.726 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(C(=O)c2ccccc2)cc1 4247879 CCOCOHXDSLNDJO-INIZCTEOSA-N 343.404 1.835 0 40 EDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O 4306167 XWEYZLZCSTYTFV-SFHVURJKSA-N 341.367 1.753 0 40 EDAB COc1ccc([C@H](NC(=O)NC[C@H](C)N(C)C)c2nccn2C)cc1 65440859 AEBCXIDTENXHBR-BBRMVZONSA-N 345.447 1.767 0 40 EDAB Cc1ccccc1-c1cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)[nH]n1 65565190 HENHVDAMHHAOJO-ZDUSSCGKSA-N 342.399 1.362 0 40 EDAB O=C(CN1CCC[C@H](c2ccccc2)CC1)NCC(=O)N1CCCC1 65626127 BBKYPFBOWPEXFW-SFHVURJKSA-N 343.471 1.995 0 40 EDAB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4592848 KBLWMLZSQVKJEP-AZQPONJRSA-N 340.379 1.859 0 40 EDAB COC(=O)CN1CCC(N[C@@H](C(=O)OC(C)(C)C)C(C)C)CC1 96009247 BARKNMAMGMJFEX-OAHLLOKOSA-N 328.453 1.580 0 40 EDAB O=C(c1ccncc1)N(CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 4749879 CIALKDMKWGQSIY-KRWDZBQOSA-N 344.436 1.954 0 40 EDAB Cc1cccc2nc(CSCc3nc(N)nc(N(C)C)n3)cn12 96008419 IQMPMEYPXRZOMN-UHFFFAOYSA-N 329.433 1.909 0 40 EDAB c1cn2c(n1)[C@H](CNCc1cnc(N3CCOCC3)nc1)CCC2 84613347 BLOHNAYOWPQGAJ-HNNXBMFYSA-N 328.420 1.177 0 40 EDAB CCc1cccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 67557996 ZPLASZACNWJLER-AWEZNQCLSA-N 325.434 1.795 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)nc(C(C)C)n1 71799425 VXCNDPXOBSYFNT-LBPRGKRZSA-N 340.449 1.661 0 40 EDAB Cn1cnnc1C1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 69385683 SKFFFQUHJCUBNW-UHFFFAOYSA-N 326.400 1.699 0 40 EDAB Cc1ccc(N2CCC[C@H](NC(=O)c3cc(C)n(C)n3)C2=O)cc1 96425884 HTMHUWZINLJQFP-HNNXBMFYSA-N 326.400 1.962 0 40 EDAB Cc1cnn(Cc2cc(C(=O)N[C@@H]3COc4ccccc4C3)no2)c1 95439351 FLAQYZWPEUJWHY-AWEZNQCLSA-N 338.367 1.961 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCCC[C@H]2C2OCCO2)c2ccccc21 69492535 QZJYLEVZOWMIFC-HNNXBMFYSA-N 345.399 1.094 0 40 EDAB O=C(CN1CCCC[C@@H]1Cc1ccccc1)NCC(=O)N1CCCC1 69444455 XTVFQLWESXXAIY-GOSISDBHSA-N 343.471 1.822 0 40 EDAB CN(C)c1ccc(C(=O)N2CCN(C(=O)CC(F)(F)F)CC2)cn1 71843986 RGEUCLUMQIYOFC-UHFFFAOYSA-N 344.337 1.384 0 40 EDAB COc1cc(CN(C)Cc2nc(N)nc(N(C)C)n2)ccc1SC 69516340 FBQYWHBLAAQQQE-UHFFFAOYSA-N 348.476 1.882 0 40 EDAB CCOC(=O)CN(C)C(=O)CSc1nccc(C(F)(F)F)n1 69654880 GFQUFDFMICNKHX-UHFFFAOYSA-N 337.323 1.609 0 40 EDAB Cn1cc(CN2CCN(C[C@H](O)COCc3ccccc3)CC2)cn1 69628613 RYQNTQJPXHGBTO-IBGZPJMESA-N 344.459 1.115 0 40 EDAB Cc1cnn(C[C@H](C)NC[C@H](O)c2ccc(S(C)(=O)=O)cc2)c1 69600109 RARNAEQDZJHMAK-BBRMVZONSA-N 337.445 1.307 0 40 EDAB Cn1cc(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)cn1 69618879 BDBRYOPRNASZTQ-CQSZACIVSA-N 338.289 1.930 0 40 EDAB CCOc1c(Cl)cc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 17635190 POHFCCCKDBMEPH-JTQLQIEISA-N 347.820 1.664 0 40 EDAB CCc1nc(CN2CCN(C(=O)CN(C)c3ccccc3)CC2)no1 71893139 YXASKVVJTVORCT-UHFFFAOYSA-N 343.431 1.413 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N1CCC[C@H]1c1ccsc1 71803261 IVNIIZYIPGLELG-ZDUSSCGKSA-N 345.490 1.924 0 40 EDAB Cc1noc(CCCC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)n1 71821282 VWGYJYAUPIKVDI-HNNXBMFYSA-N 342.399 1.791 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2ccnn2C(C)C)CCN1CCOC 69738378 CVOGGRZTWCMZMI-OAHLLOKOSA-N 337.468 1.445 0 40 EDAB CCN(CC)C(=O)CCNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C 69776229 DWDRFRBAOBDITJ-LBPRGKRZSA-N 343.493 1.309 0 40 EDAB NC(=O)CCNC(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1 69772521 OQXFEGUWZWLXBV-UHFFFAOYSA-N 347.321 1.822 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@](C)(c3ccccn3)C2=O)C1 69777561 NONCZGMEYLLZHA-SNUQEOBHSA-N 344.415 1.353 0 40 EDAB COc1ccc(CCNC(=O)CN2CCC[C@@H]2Cn2cccn2)cc1 71875437 DMHYAXKOJRGPHL-QGZVFWFLSA-N 342.443 1.715 0 40 EDAB CCc1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1 69946322 IBARGLQREBQSCG-UHFFFAOYSA-N 348.491 1.761 0 40 EDAB COC[C@H](C)NC(=O)NCc1ccccc1CN1CCN(C)CC1 69982815 UKZZZQNLFKVJTG-HNNXBMFYSA-N 334.464 1.268 0 40 EDAB CN(Cc1cccc(O)c1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 83864143 GORDSCAICWPWJX-CQSZACIVSA-N 328.368 1.992 0 40 EDAB COC[C@H](NS(=O)(=O)N(C)C)c1cccc(C(F)(F)F)c1 71911232 RRCMOZMQFCCJFB-NSHDSACASA-N 326.340 1.789 0 40 EDAB CC(=O)Nc1cccc(C(=O)N(C)CC(=O)NCc2ccco2)c1 8708451 ZUDXBVQORYJVBP-UHFFFAOYSA-N 329.356 1.626 0 40 EDAB Cc1cnc(CN2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)cn1 95402297 UVBGCUGDRNZBQV-OAHLLOKOSA-N 328.420 1.752 0 40 EDAB Cn1cc(-c2cccc(CNC(=O)C(=O)Nc3ccnn3C)c2)cn1 95448054 CNIPZAABDJOASE-UHFFFAOYSA-N 338.371 1.076 0 40 EDAB CCCS(=O)(=O)N(C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 95438727 JADOKWIJDJJRDM-AWEZNQCLSA-N 339.461 1.686 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CN1CC1CC1 84136585 ZIACMGGKMCQZSB-KBPBESRZSA-N 344.415 1.869 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 97016167 PQYFTYVRYRIBNR-DOMZBBRYSA-N 341.404 1.285 0 40 EDAB Cc1cc(C(=O)NCC(=O)NCc2cn3cccc(C)c3n2)c(C)o1 72290878 QHAGFDUTUPLLSS-UHFFFAOYSA-N 340.383 1.899 0 40 EDAB Cc1cc(C)n2nc(NC(=O)N[C@H](C)CC(=O)OC(C)(C)C)nc2n1 72275174 GEKBVBZRJBJEPD-SNVBAGLBSA-N 348.407 1.983 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)n1 84286598 GIUUTLAQDUGKSC-LBPRGKRZSA-N 328.372 1.575 0 40 EDAB Cc1ccnc(NC(=O)C2CCN(C[C@@H](O)C(F)(F)F)CC2)c1 97141814 JLZMKOIMPALLHB-GFCCVEGCSA-N 331.338 1.964 0 40 EDAB Nc1ncc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1c1ncc[nH]1 95433866 JRTXQTKADDZKBS-JTQLQIEISA-N 341.824 1.956 0 40 EDAB C[C@@H](NCc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)NC(C)(C)C 89448487 JGVJWQFTGCSQOD-NXEZZACHSA-N 347.385 1.796 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)Cc2ccc(Cl)s2)CC1 75039713 JCUMNKNEUARSBF-UHFFFAOYSA-N 336.866 1.438 0 40 EDAB COc1ccc([C@@H](CC(=O)O)NC(=O)Cn2cc(C)cn2)cc1OC 75125348 IOJWUFMRAGEPIB-CYBMUJFWSA-N 347.371 1.541 0 40 EDAB COc1ccccc1CCNC(=O)N1CCC[C@@H](c2nncn2C)C1 89761896 XGLRWIYPNRBXHK-OAHLLOKOSA-N 343.431 1.955 0 40 EDAB O=C(Nc1cnn(Cc2ccccc2)c1)N1CCN(CCO)CC1 89841037 QNPOTIAPPRHGJK-UHFFFAOYSA-N 329.404 1.073 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 75584935 SAKVNRMVPRRBNF-CYBMUJFWSA-N 339.461 1.012 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(CCO)CC3)c12 75572211 MKBYNBYDLJRIAM-UHFFFAOYSA-N 330.388 1.159 0 40 EDAB O=C(NCc1nc2ccc(F)cc2[nH]1)c1sccc1-n1cnnn1 76092273 BCTRQBLVCAJBFC-UHFFFAOYSA-N 343.347 1.669 0 40 EDAB CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)cc1 27028579 JCSXTBDMLNQDJJ-CHWSQXEVSA-N 334.401 1.917 0 40 EDAB CCCCC(=O)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 306134632 NTUYCBLXPKRAOF-AWEZNQCLSA-N 329.462 1.619 0 40 EDAB CCN1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 22870437 OQWFPPNOKUAJIF-AWEZNQCLSA-N 343.265 1.826 0 40 EDAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(C)c2)cc1 408550508 DAEPCOLKDWFOCP-UHFFFAOYSA-N 341.367 1.697 0 40 EDAB Cc1ncc2n1C[C@H](C(=O)NCc1cn(C)nc1C(F)(F)F)CC2 518197693 NFYFDGFHORORHU-SNVBAGLBSA-N 341.337 1.823 0 40 EDAB Cc1cccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)n1 72237958 QAQCWECUORNTFL-IAGOWNOFSA-N 325.368 1.927 0 40 EDAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C(=O)O)cc1 218551901 NBYQJVWOPYSNOZ-ZMSDIMECSA-N 331.393 1.717 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@]1(COC)C(=O)O 218087789 GDXYXEFNQZLUFE-KCQAQPDRSA-N 328.386 1.313 0 40 EDAB Cc1nccn1Cc1ccc(C(=O)NCCCN2CCOCC2)cc1 30944579 ABIGFJOEQYYFHR-UHFFFAOYSA-N 342.443 1.692 0 40 EDAB COCC(=O)N1CCC[C@H](c2cncc(-c3ccc(CO)cc3)n2)C1 72359537 XPWFUUBGLIOYHR-INIZCTEOSA-N 341.411 1.988 0 40 EDAB CCC(CC)[C@H](CNC(=O)c1nccn2ccnc12)N1CCOCC1 78029664 DRHOBZDQBOEPEE-HNNXBMFYSA-N 345.447 1.596 0 40 EDAB C/C(=C\C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(C)(C)C 79318677 ZHXSDGLCWKOFPQ-YPDDLIOESA-N 328.478 1.310 0 40 EDAB COc1ccnc(N2CCN(Cc3cc(C(=O)O)sc3C)CC2)n1 566358591 KPXWFJLJAZRZRK-UHFFFAOYSA-N 348.428 1.876 0 40 EDAB O=C(O)[C@@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1Cc1cccnc1 72463231 CDYYICVSUAYBPB-INIZCTEOSA-N 343.427 1.759 0 40 EDAB COc1cccc(NC(=O)c2nn(C)c3c2CS(=O)(=O)CC3)c1 41070474 LPGQKWMGFGOZHQ-UHFFFAOYSA-N 335.385 1.152 0 40 EDAB Cc1nc([C@H]2CN(C(=O)[C@H](C)n3cnc4ccccc43)CCO2)n[nH]1 329103705 CGAKHNFYKXGSBG-XHDPSFHLSA-N 340.387 1.624 0 40 EDAB CCSc1nnc(NC(=O)Cn2cnc(C(C)C)cc2=O)s1 49343597 GLGFAVASSBTJKQ-UHFFFAOYSA-N 339.446 1.969 0 40 EDAB CCc1nccn1[C@@H]1CCCN(C(=O)Nc2ccc(OC)nn2)C1 329052811 RTIYVCIADUOUKJ-GFCCVEGCSA-N 330.392 2.113 0 40 EDAB Cc1nnc2c(N3CCN(C(=O)/C=C\c4cccnc4)CC3)nccn12 225799264 OTGHJWZGKJHLGQ-PLNGDYQASA-N 349.398 1.190 0 40 EDAB CCOC(=O)C12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2 45071177 BBEXDNJULWVKLO-OOZWNVLFSA-N 327.174 1.178 0 40 EDAB C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC[C@H](N2CCCCCC2)C1 135589052 APJNTNUMPIAWMX-HRCADAONSA-N 330.494 1.834 0 40 EDAB Cc1ccc(NCCCNC(=O)[C@H]2CCCN2c2ncccn2)nc1 85383654 MJWZTZUQOLHCQZ-OAHLLOKOSA-N 340.431 1.767 0 40 EDAB COC[C@H](NS(=O)(=O)c1csc(C(=O)O)c1)c1ccco1 570208410 WENAAQYZGVLKBS-VIFPVBQESA-N 331.371 1.705 0 40 EDAB Cn1nc(C(=O)NCc2ccncc2)cc1NC(=O)c1ccco1 40745742 AEYXVNNSQGWGRN-UHFFFAOYSA-N 325.328 1.590 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)c1 85296309 AJYRMPUVWVGQQS-CQSZACIVSA-N 342.436 1.477 0 40 EDAB COc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(F)cc3)C2)nn1 225440852 IDLSXDVIWGMRNI-AWEZNQCLSA-N 346.362 1.987 0 40 EDAB COc1ccccc1CNC(=O)c1cc(NC(=O)C2CC2)n(C)n1 46089175 KUWZXUUIZZGZEB-UHFFFAOYSA-N 328.372 1.707 0 40 EDAB CCc1cnc(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)s1 96439300 OZJKDTDRCJRECY-LBPRGKRZSA-N 346.460 1.964 0 40 EDAB CCCS(=O)(=O)N1Cc2ccnn2C[C@@H](COCC2CC2)C1 96067279 DQXKSVJVPVMKFY-AWEZNQCLSA-N 327.450 1.481 0 40 EDAB CCS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1 96209244 NXHSJGHLUZHKLN-IAGOWNOFSA-N 338.473 1.749 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 96071247 ZNVDPHXGLQXXMA-LPHOPBHVSA-N 343.427 1.744 0 40 EDAB CC(=O)N[C@@H]1C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc21 96129680 YFSLAAWAJOSJRD-HNNXBMFYSA-N 337.807 1.196 0 40 EDAB C[C@H](C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O)n1cccn1 97231211 MZTUOFJIHHZOOK-BMIGLBTASA-N 344.346 1.877 0 40 EDAB CC(C)c1nc(C[S@](=O)CCn2cnc3ccccc3c2=O)no1 95419054 KRWNVBCBIMDYJX-DEOSSOPVSA-N 346.412 1.852 0 40 EDAB CC(C)[C@@H]1C[C@H]1CNC(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 580045857 ZCJJDHVKGQMEBV-DZKIICNBSA-N 347.463 1.568 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COc2cccnc2)C1 96065107 CKRPTSVFFJLQOF-LSDHHAIUSA-N 326.418 1.291 0 40 EDAB O=C1[C@H](n2cncc(Br)c2=O)CCN1CC(F)(F)F 95414755 NMGBCPQICNWQOC-SSDOTTSWSA-N 340.099 1.342 0 40 EDAB Cc1cccc(S(=O)(=O)CCCn2nnnc2-c2ccncc2)c1 97379383 OJNHYGIBIDLBHC-UHFFFAOYSA-N 343.412 1.908 0 40 EDAB Cc1ccc(C)c(-n2cnc(=O)n2CC(=O)Nc2nccs2)c1 92276135 MTEICQSONXNOQA-UHFFFAOYSA-N 329.385 1.746 0 40 EDAB Cn1ccnc1CN1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 96183385 JCPNKPRCKJXURB-DLBZAZTESA-N 327.432 1.290 0 40 EDAB CCc1nnc2n1C[C@H](NCc1cnc(N3CCCC3)nc1)CC2 97199548 IGSODKWKTHLACQ-CQSZACIVSA-N 327.436 1.335 0 40 EDAB Cc1ccccc1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 97234648 XTJUKVFGIDEIGY-UHFFFAOYSA-N 336.457 1.330 0 40 EDAB Cc1cc(CN2Cc3cccn3C[C@@H](C(=O)NCC3CC3)C2)no1 247928419 PYWJOIWWRHGCOO-HNNXBMFYSA-N 328.416 1.943 0 40 EDAB CC(C)COC(=O)N1CCC(N[C@@H]2CCC(=O)NC2(C)C)CC1 585080745 JWAVMGOUAVKTLO-CQSZACIVSA-N 325.453 1.890 0 40 EDAB Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)CCCn2cccc2)cn1 585087597 QOKSHYBSAOHJFG-INIZCTEOSA-N 343.431 1.423 0 40 EDAB COc1ncccc1CN1Cc2ccnn2[C@H](C(=O)NCC2CC2)C1 247831787 HUBFFXGYTUPHNT-INIZCTEOSA-N 341.415 1.370 0 40 EDAB Cc1cc(C)n(CC(=O)N[C@@H]2CCCC[C@@H](N3CCCC3)[C@@H]2O)n1 257233224 GOIIKBBWDJQNFS-JFIYKMOQSA-N 334.464 1.384 0 40 EDAB Cc1n[nH]c(C)c1-c1nccnc1C[C@@H]1CCN(S(C)(=O)=O)C1 257279484 OGWNBDPCHDXKRB-LBPRGKRZSA-N 335.433 1.308 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257209116 BPCKQVFEVDUIFS-INIZCTEOSA-N 345.374 1.724 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(Cc3cnc(C)cn3)CC[C@H]21 257279854 OILSQSOWGRZNPY-DOTOQJQBSA-N 332.448 1.634 0 40 EDAB Cc1cc(C[C@H]2COCCN(C(=O)CCn3ccc(C)n3)C2)ncn1 257264571 LVAYUXOALOTWLA-MRXNPFEDSA-N 343.431 1.398 0 40 EDAB CC(=O)NCc1cnc([C@@H]2CN(C(=O)c3ccccc3F)CCO2)[nH]1 257218690 DEDAFRXAEIMZSO-HNNXBMFYSA-N 346.362 1.399 0 40 EDAB Cc1nnc(NS(=O)(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)s1 252498737 RJXAOEGZYYQXTB-LURJTMIESA-N 340.386 1.367 0 40 EDAB CN1c2ccccc2N(CCNC(=O)/C=C/c2ccco2)S1(=O)=O 253473905 ZQMLRQJTRFWNAD-CMDGGOBGSA-N 347.396 1.610 0 40 EDAB COCc1ccc(S(=O)(=O)N[C@]2(CC(=O)O)CCCOC2)cc1 1606963890 YZZYUDIPNYKMGE-HNNXBMFYSA-N 343.401 1.135 0 40 EDAB CCc1ccc(F)cc1C(=O)NCCCc1cn(CC(=O)OC)nn1 1615551636 YBCIKKCDQCERNB-UHFFFAOYSA-N 348.378 1.515 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ncc(Cl)cc1O 1616032656 SJKNTUSAIDYYAM-VIFPVBQESA-N 333.797 1.193 0 40 EDAB CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(CC)CC1 1616046207 SOTRXZQVJMRYKL-INIZCTEOSA-N 332.448 1.081 0 40 EDAB Cc1cc(CNC(=O)Nc2ccc3c(c2)OCO3)nc(N(C)C)n1 96121324 VQINZUWSHMOUAX-UHFFFAOYSA-N 329.360 1.901 0 40 EDAB CCCC(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@@H]1C 585096491 QEDGLQJJLHPMPM-ZDUSSCGKSA-N 341.415 1.911 0 40 EDAB Nc1ncccc1C(=O)N1CCC[C@](O)(COc2cccc(F)c2)C1 585277140 LVLODPDQLLVISY-GOSISDBHSA-N 345.374 1.849 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)NS(=O)(=O)C[C@H]1CCCCO1 69618256 IUOXXJFGXXFBGF-CYBMUJFWSA-N 336.413 1.726 0 40 EDAB C[C@@H](CNC(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCOCC1 46260518 SEMDIGTZEHEPCR-LSDHHAIUSA-N 349.431 1.189 0 40 EDAB O=C([C@@H]1CCCCO1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1776007854 HVITVOWZXSTVBP-KRWDZBQOSA-N 339.395 1.863 0 40 EDAB CC(C)(NC(=O)COc1ccc(Cl)cc1Br)C(N)=O 57050194 GRHHOSLQBLVJJU-UHFFFAOYSA-N 349.612 1.861 0 40 EDAB O=C([C@H]1CC(c2cc(F)ccc2F)=NO1)N1CCc2cncnc2C1 95396046 ZUEFVMREQLUABT-MRXNPFEDSA-N 344.321 1.833 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1 96099703 CTVKHGCUADXIIR-MRXNPFEDSA-N 338.473 1.469 0 40 EDAB C[C@@H]1CN(C(=O)Nc2[nH]nnc2C(=O)N2CCCC2)C[C@@H](C)S1 585119283 AGXVIPAZVVSTDC-NXEZZACHSA-N 338.437 1.398 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)O 548533714 GRTVTLZYHPEFCL-ZYHUDNBSSA-N 331.365 1.292 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCN(CCOC(C)C)CC1 40468518 MRLRYUGJDAMKTE-UHFFFAOYSA-N 331.438 1.023 0 40 EDAB COc1ccc(Br)c(C(=O)N2CCOC[C@H]2C(=O)O)c1 88374159 CMKBICAYAHMUAB-NSHDSACASA-N 344.161 1.383 0 40 EDAB COc1ncc(C2(O)CCN(Cc3cccnc3)CC2)c(OC)n1 19594850 XZBCLYUMAFAMRV-UHFFFAOYSA-N 330.388 1.372 0 40 EDAB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)OC 2090226 GKDGIHFJBCCOJT-HNNXBMFYSA-N 346.383 1.712 0 40 EDAB biogenic CCCCn1c(C)c(C)n2c3c(=O)n(CC(C)=O)c(=O)n(C)c3nc12 4314418 YRKURWMHENXAMF-UHFFFAOYSA-N 345.403 1.155 0 40 EDAB CC(C)CNC(=O)CS(=O)(=O)Cc1ccccc1OC(F)F 36396083 QIFSEZLOHKLLGY-UHFFFAOYSA-N 335.372 1.975 0 40 EDAB COc1cc(OC)c(NC(=O)CN2CSCC2=O)cc1Cl 11601275 MXLXHWANTMZDOF-UHFFFAOYSA-N 330.793 1.829 0 40 EDAB COc1ccc(C(=O)COC(=O)c2cccc(S(N)(=O)=O)c2)cc1 3256388 YETUJHRQJFOPJU-UHFFFAOYSA-N 349.364 1.382 0 40 EDAB CC1(C)C[C@@H]1C(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888865783 YFRPDFDJQAFKAT-RWMBFGLXSA-N 326.404 1.065 0 40 EDAB CSc1nccc(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 1888901010 DVMOJNNMECGECW-UHFFFAOYSA-N 328.405 1.191 0 40 EDAB NC(=O)c1cc(OC2CN(Cc3ccc4c(c3)OCCO4)C2)ccn1 1889125006 KXXHMYJYMZEFKZ-UHFFFAOYSA-N 341.367 1.215 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)COCc2ccccc2)C1=O 25698081 QIVCDJZJCVSJAX-KBXCAEBGSA-N 344.367 1.624 0 40 EDAB COc1cccc(CCC(=O)NCc2nnc3c(O)nccn23)c1 253402114 NYJYSGXSCCZMHP-UHFFFAOYSA-N 327.344 1.088 0 40 EDAB Cc1nc(CO[C@H]2CN(C(=O)c3cc[nH]n3)[C@@H]3CCCO[C@H]23)cs1 1565541725 QQBZZFQRTJQDLA-ILXRZTDVSA-N 348.428 1.763 0 40 EDAB Cc1nc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC(C)C)C2)cs1 1565546141 URIXXEDJFJRUDL-MBNYWOFBSA-N 337.445 1.453 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4csnn4)C[C@@H]3C2)cs1 1565542505 JBUNHTCCIYMWII-QWRGUYRKSA-N 335.458 1.507 0 40 EDAB COC(=O)c1ccc(CS(=O)(=O)c2nc3ncccc3[nH]2)cc1 2504084 JKNAXIBJUFAAAS-UHFFFAOYSA-N 331.353 1.718 0 40 EDAB Cc1cc(OC2CN(S(=O)(=O)c3ccccc3F)C2)cc(=O)o1 206961399 MRFUOXFOOCLGFK-UHFFFAOYSA-N 339.344 1.539 0 40 EDAB O=C(Cn1c2c(c3ccccc31)CCC2)NC[C@H]1CCS(=O)(=O)C1 36708654 YUZFFLZLKVFYQZ-CYBMUJFWSA-N 346.452 1.681 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)NCCn1ccnc1C1CC1 225566958 KQIXLFLKSYFEGZ-UHFFFAOYSA-N 326.356 1.485 0 40 EDAB COC(=O)N1CCC(CNC(=O)C(=O)N[C@@H](C)c2ccccc2)CC1 43941812 ADHXXTCBBHDBPF-ZDUSSCGKSA-N 347.415 1.458 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NC[C@H]1COc2ccccc21 342627867 HAOZUBPBAKDJLH-ZDUSSCGKSA-N 335.363 1.689 0 40 EDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCCOc1ccc(F)cc1)CS2 30480978 ROKYHJDCOFXQGT-XJKSGUPXSA-N 338.404 1.775 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](N)C1 50242394 QSJAPWDZOOJTHL-SECBINFHSA-N 335.223 1.179 0 40 EDAB CC[C@H]1CCCCN1C(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 50274397 ZWWJDAOZYJJYGS-DLBZAZTESA-N 329.444 1.690 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnc(-c2ccccc2)nc1 40476521 BQLFOKDTOWBXIH-AWEZNQCLSA-N 346.412 1.506 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2cnccn2)C1 40497538 DGZORYPKHHQJSH-CQSZACIVSA-N 340.383 1.738 0 40 EDAB CCCCNC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2ccccc21 40478561 IOSVFICJFXBSBC-UHFFFAOYSA-N 331.416 1.736 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H]2CCCCNC2=O)ccc1OC(C)C 40527137 VERHDDDYNBXUOR-AWEZNQCLSA-N 340.445 1.729 0 40 EDAB COc1cccc(CS(=O)(=O)[C@H](C)C(=O)NC[C@H]2CCCO2)c1 40528808 FDUVFAIDGNXUAM-IUODEOHRSA-N 341.429 1.294 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)CN2CCc3ccccc32)cc1 20681096 BBMOGNQMZUOSBS-UHFFFAOYSA-N 345.424 1.013 0 40 EDAB Cc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCC4)ncn3n2)cc1 21024711 QPSKYIUUASPUIV-UHFFFAOYSA-N 337.383 1.489 0 40 EDAB CNC(=O)COc1cccc(NC(=O)NC[C@H](C)Cn2cccn2)c1 52462250 LAFSCGAMNNMTNQ-ZDUSSCGKSA-N 345.403 1.466 0 40 EDAB CCN(C(=O)Cc1cc(-c2ccccc2)on1)[C@H]1CCS(=O)(=O)C1 41131005 SQXVILFCMHFUHD-HNNXBMFYSA-N 348.424 1.920 0 40 EDAB O=C(NCCCn1ccccc1=O)c1cncc(Br)c1 32933553 ZZSJLQITRDVXRB-UHFFFAOYSA-N 336.189 1.826 0 40 EDAB CCc1ccc(N2C(=O)C[C@@H](N(C[C@@H]3CCCO3)C(C)=O)C2=O)cc1 2792986 BUKSCZWLIYBZFU-DLBZAZTESA-N 344.411 1.908 0 40 EDAB CC(C)[C@@H](C(=O)NC[C@H]1CCCO1)N1C(=O)c2ccccc2C1=O 133372 VMFROCJXOLZRRJ-DOMZBBRYSA-N 330.384 1.602 0 40 EDAB CC(=O)c1cccc(OCC(=O)NCC[S@](=O)C(C)(C)C)c1 78668616 PDOWCCWXFWLPNK-JOCHJYFZSA-N 325.430 1.931 0 40 EDAB O=C1CNC(=O)N1CCCC(=O)N1CCCC[C@H]1c1nccs1 78813699 JBALBBUARVHFFX-NSHDSACASA-N 336.417 1.529 0 40 EDAB CN(CCNC(=O)N1CCN(C2CC2)C(=O)C1)Cc1ccccc1 79001434 ARWCHKNOKQEBDB-UHFFFAOYSA-N 330.432 1.135 0 40 EDAB Cc1cc(NC(=O)CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)no1 79028047 MRUKCMZIKCGZSA-CQSZACIVSA-N 346.362 1.798 0 40 EDAB CNC(=O)NC(=O)CSc1nnc(C[C@@H](C)c2ccccc2)o1 79443282 VXCLCPYOGAIITC-SNVBAGLBSA-N 334.401 1.964 0 40 EDAB CN(C(=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 4504617 COIGXNKWRIEAKO-LLVKDONJSA-N 332.219 1.708 0 40 EDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC2(CC1)OCCO2 53952550 QYNRKUDGCTVANT-NSHDSACASA-N 328.409 1.702 0 40 EDAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1OCC(=O)OC 6961013 AZQOFOSZIFUTCC-YRNVUSSQSA-N 334.328 1.160 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 8129666 CAFPKXLJJNHTKJ-CYBMUJFWSA-N 335.429 1.915 0 40 EDAB CCOCCCNC(=O)CCCN(c1ccccc1)S(C)(=O)=O 8498930 VONYOYPAWVVQKU-UHFFFAOYSA-N 342.461 1.776 0 40 EDAB Cc1ccc(CN2CCCN(C(=O)c3nccnc3N)CC2)cc1 23243694 FDUZRNFGDPKEGD-UHFFFAOYSA-N 325.416 1.715 0 40 EDAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)NC(C)C)nc3c12 57730713 YFJXXQQYTDWVCE-UHFFFAOYSA-N 333.417 1.501 0 40 EDAB O=C(NCCc1nnc2ccccn12)[C@@H]1CCCN(C(=O)C2CC2)C1 42720758 LINJAZUMDRAFEL-CQSZACIVSA-N 341.415 1.037 0 40 EDAB CN(C)S(=O)(=O)CCCS(=O)(=O)[C@@H]1CCCc2ccccc21 105521312 CUZSIUPNQIRBKM-OAHLLOKOSA-N 345.486 1.760 0 40 EDAB COCCN1CCN([C@H](C(=O)OC)c2ccccc2Cl)CC1 55102461 AQPDFGXMNQBOAW-HNNXBMFYSA-N 326.824 1.818 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)Nc1c(C)nn(C)c1C 9157151 BNQVNLZYYFWFFZ-UHFFFAOYSA-N 329.403 1.686 0 40 EDAB O=C1c2ccccc2C(=O)N1C[C@H](O)Cn1ncc2ccccc2c1=O 25249133 XPPIMRBHQCFNLM-ZDUSSCGKSA-N 349.346 1.054 0 40 EDAB CC(C)OC[C@@H](O)CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 107156764 DYTGVPSWDBVCCW-OCCSQVGLSA-N 330.450 1.113 0 40 EDAB CCNC(=O)COc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 25650355 FZQNJHGJJMYVKV-UHFFFAOYSA-N 339.355 1.725 0 40 EDAB Cc1nn(C)c2cnn(CCNC(=O)[C@H](C)Oc3ccc(F)cc3)c12 57279848 GJUYDCFFAAXYNX-LBPRGKRZSA-N 345.378 1.801 0 40 EDAB NC(=O)C1(CNC(=O)CCCOc2ccc(F)cc2)CCOCC1 47930833 HEESMYKIUBXBMY-UHFFFAOYSA-N 338.379 1.383 0 40 EDAB Cc1cnn(CC(=O)N2CCC(NC(=O)c3ccsc3)CC2)c1 57002733 CCGGBXZBRSVEIM-UHFFFAOYSA-N 332.429 1.674 0 40 EDAB C[C@H]1CN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 57372982 JZORZUBAWJCOPV-WPUBBZCQSA-N 334.460 1.955 0 40 EDAB Cc1nc(C)c(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)o1 108143348 UGKUAUKRNCAKDS-IRXDYDNUSA-N 343.427 1.904 0 40 EDAB O=C(c1ccccn1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 26708516 DEYBSMQHPBPSGU-UHFFFAOYSA-N 337.305 1.853 0 40 EDAB C[C@H]1CCCN1CC(=O)Nc1ccccc1CN1CCC[C@H]1C(N)=O 108352857 BHKMYUZUMBDAAK-YOEHRIQHSA-N 344.459 1.559 0 40 EDAB Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)CC[C@@H]2NC(=O)NC2=O)c1 27080762 NPQOEXNGZGAJCR-RYUDHWBXSA-N 347.371 1.162 0 40 EDAB CNC(=O)CN1CCC(NC(=O)Nc2nc3ccccc3s2)CC1 27356144 JIEFQVIVQAQDEV-UHFFFAOYSA-N 347.444 1.628 0 40 EDAB C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)N1CCOCC1 58179817 VIQHONWWPHFCHT-GFCCVEGCSA-N 345.424 1.787 0 40 EDAB O=C([C@@H]1Cc2ccccc2S1)N1CCN(C(=O)[C@H]2CCCO2)CC1 58139673 PQQQLXLFOXEPBZ-ZBFHGGJFSA-N 346.452 1.553 0 40 EDAB CCOC(=O)[C@@H](CNC(=O)c1nccnc1N)Cc1ccccc1 58215172 JRUSDWWNCDWNPM-CYBMUJFWSA-N 328.372 1.211 0 40 EDAB C[C@H](NC(=O)CCNC(=O)OC(C)(C)C)C(=O)NCc1ccco1 58290377 MXWZCIQHBWCGEO-NSHDSACASA-N 339.392 1.315 0 40 EDAB COc1cc(CNS(=O)(=O)c2cnn(-c3ccccc3)c2)ccn1 58266073 HQJPDPGQZAJXLS-UHFFFAOYSA-N 344.396 1.754 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)NCc1cccc(CN(C)CC)c1 58299615 NSVFPVCQICMVMY-AWEZNQCLSA-N 340.489 1.968 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)CCCc2nc(-c3ccccc3)no2)C1 48277548 GXXGRHIKYXLVJY-CQSZACIVSA-N 342.399 1.783 0 40 EDAB C[C@@H](CN1CCCC1=O)NC(=O)CSCC(=O)c1ccccc1 58316294 AJWBCAJUBFPOQF-ZDUSSCGKSA-N 334.441 1.730 0 40 EDAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc(C)c2)nc1 58367036 KJEZMCWAXJIKSJ-UHFFFAOYSA-N 333.413 1.958 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1Cc1cc(=O)n2ccccc2n1 11215536 PQTPQSUDWUYTAN-UHFFFAOYSA-N 341.348 1.039 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 102833364 CIDZZCGOOOAFQZ-JJXSEGSLSA-N 333.476 1.624 0 40 EDAB CN1CCCN(c2ccc(CNC(=O)NCc3ccoc3)cn2)CC1 48309780 ZPRGMOZKYGACRB-UHFFFAOYSA-N 343.431 1.816 0 40 EDAB O=c1c2ccccc2ncn1CCNS(=O)(=O)c1cccs1 61719749 ZIKBYHKPPHPVMY-UHFFFAOYSA-N 335.410 1.437 0 40 EDAB Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC[C@H](C(=O)O)NC1=O 20635191 IOPQGJXUECBLAM-MNOVXSKESA-N 342.804 1.662 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)NCC(=O)Nc1ccccc1 59918764 IPYODTBOGGOKAK-UHFFFAOYSA-N 346.408 1.849 0 40 EDAB O=C(COC(=O)[C@H]1COCCO1)NCC1(c2ccccc2)CCC1 46309470 RKIVRTRSHKEJQU-OAHLLOKOSA-N 333.384 1.183 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@H](C)Cn3cccn3)CC2)no1 46463784 AFGPSJBEQYOKRP-CYBMUJFWSA-N 332.408 1.095 0 40 EDAB C[C@@H](O)c1ccc2c(c1)OCCOCCN(C)CCOCCO2 4134397 JKEUHRWYEDMOHX-CQSZACIVSA-N 325.405 1.476 0 40 EDAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C)C(=O)NC2CC2)cc1 4285485 OCZQAAAGZZZFTD-GFCCVEGCSA-N 339.413 1.369 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCC2)cc1 13856352 POUVTRLZYGXBEV-LBPRGKRZSA-N 340.445 1.811 0 40 EDAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCN(CCO)CC1 22030777 RCJASHRNEBEFTI-IAGOWNOFSA-N 336.476 1.550 0 40 EDAB C[C@@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1cccnc1 65452892 GNIAFLSIJLPZKG-TZMCWYRMSA-N 340.449 1.256 0 40 EDAB CCOCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 4454881 JDSVNMMSVQAKLV-UHFFFAOYSA-N 326.418 1.836 0 40 EDAB CN(C)CCN(CCN(C)C)S(=O)(=O)c1cc(F)cc(F)c1 65554000 ZSCOXOOTDKRMTB-UHFFFAOYSA-N 335.420 1.079 0 40 EDAB COc1ccc(/C=C/C(=O)NC(C)C)cc1S(=O)(=O)N(C)C 14182795 DXXZYWMXIFLOMO-VQHVLOKHSA-N 326.418 1.483 0 40 EDAB COC(=O)[C@](C)(COc1ccccc1)NS(=O)(=O)c1ccccc1 65626577 SUHJJTQTCSQXKO-KRWDZBQOSA-N 349.408 1.976 0 40 EDAB CC(=O)NCC(=O)NCC(=O)Nc1ccc(Cl)cc1-n1cccc1 65609848 PBWLVSWPSPINJH-UHFFFAOYSA-N 348.790 1.322 0 40 EDAB Cc1cc(C)cc(-n2ncc(CN(CCO)C3CCN(C)CC3)n2)c1 96004842 KNQBVCLXKXLWRZ-UHFFFAOYSA-N 343.475 1.773 0 40 EDAB COc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(OC)c1 14246019 YIADEDMKOIKWTR-UHFFFAOYSA-N 347.371 1.603 0 40 EDAB Cc1noc(C2CC2)c1NC(=O)CNC(=O)COc1ccccc1 96013658 HONNXLGGIIXHGV-UHFFFAOYSA-N 329.356 1.994 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)N4CCCCC4)CC3)ncnc21 14333529 XQCOKNCJCTXRNP-UHFFFAOYSA-N 329.408 1.091 0 40 EDAB COc1cccc(CN2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)c1 4746144 HEPKHPHLTVGJQL-QGZVFWFLSA-N 331.460 1.681 0 40 EDAB O=C(CCNC(=O)c1cnn2c1CCCC2)NCc1ccccn1 97097853 LNSOUZNDZWFXJU-UHFFFAOYSA-N 327.388 1.051 0 40 EDAB O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cnn2c1CCCC2 97086419 VBRWEQXHFWMLKC-HNNXBMFYSA-N 339.399 1.540 0 40 EDAB CC(=O)c1ccc(NC(=O)C[C@@H]2N[C@H]3CCCC[C@H]3NC2=O)cc1 4815623 IDBSMNWITVOZEX-XHSDSOJGSA-N 329.400 1.617 0 40 EDAB O=C(Nc1ccccc1)C1CCN(C(=O)CSc2ncn[nH]2)CC1 9366311 BSDKSZZJOOLXDV-UHFFFAOYSA-N 345.428 1.774 0 40 EDAB CCc1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 4903966 KMYYBZLECFIGBN-OAFZBRQQSA-N 348.395 1.635 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)NC[C@H]1Cc2ccccc2O1 80095171 UELHQYBMIRLGEJ-OAHLLOKOSA-N 339.395 1.242 0 40 EDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCCCC2)c1 7780790 CDFWRKKBJXOPDA-UHFFFAOYSA-N 325.434 1.361 0 40 EDAB O=C(c1cccc2ncccc12)N1CCN([C@@H]2CCC[C@H]2O)CC1 72268974 MUMJWKLJYNOARH-QZTJIDSGSA-N 325.412 1.906 0 40 EDAB O=C(NCc1ccc(-n2cncn2)nc1)c1ccc(-n2ccnc2)nc1 69371529 NQAMVISUXXUGNU-UHFFFAOYSA-N 346.354 1.173 0 40 EDAB NS(=O)(=O)c1cnc(NCc2cnn(-c3ccccc3)c2)s1 69367078 QHGRGONIPRBOEG-UHFFFAOYSA-N 335.414 1.588 0 40 EDAB Cn1ccnc1CN1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 69459862 FAQCGTIXRCFZGB-INIZCTEOSA-N 336.386 1.550 0 40 EDAB Cn1nc(Br)c2c(N[C@@H]3CCc4ncnn4C3)ncnc21 69493491 NABRSEZATKCXLR-SSDOTTSWSA-N 349.196 1.144 0 40 EDAB COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)nc(=S)[nH]c1O 17112411 IYVXZRPLJKPHGK-VIFPVBQESA-N 336.325 1.827 0 40 EDAB biogenic NC(=O)NC[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCCCO2 69510375 FWUVDMWRAPPOTH-CYBMUJFWSA-N 333.388 1.511 0 40 EDAB O=C(C1CCC1)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 69592802 JOXRJLAAZWPLJK-CQSZACIVSA-N 340.420 1.895 0 40 EDAB COC(=O)[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 69590448 VXIDNYDPXXXNRS-OAHLLOKOSA-N 347.392 1.734 0 40 EDAB COC(=O)CNC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 17440703 WQPHWHUNBIZLLA-UHFFFAOYSA-N 335.747 1.097 0 40 EDAB CCOc1cc(CNc2cc(N3CCC[C@@H]3CO)ncn2)ccn1 72276123 MFGMHKXUVCKEDR-CQSZACIVSA-N 329.404 1.844 0 40 EDAB COc1ccnc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1 69653490 DFGYGIHVYHKIPM-HNNXBMFYSA-N 344.415 1.047 0 40 EDAB Cc1c(C(=O)NC[C@H]2CCOC2)nnn1-c1cccc2cccnc12 71889241 SGIWJAFSDCRDIR-CYBMUJFWSA-N 337.383 1.890 0 40 EDAB COc1cc(OC)c([C@@H]2C=C(C(=O)O)Nc3ncnn32)cc1OC 8594235 NDOHDJDJIJLDEW-JTQLQIEISA-N 332.316 1.287 0 40 EDAB COc1ccc(CNC(=O)[C@@H](C)Sc2n[nH]c(=O)n2C2CC2)cc1 8503753 VPVSRCSTDYRPOZ-SNVBAGLBSA-N 348.428 1.712 0 40 EDAB O=C(CN1CCN(C(=O)Nc2ccc(F)cc2)CC1)N1CCCCC1 17744500 UCGPSWHWTNQKCF-UHFFFAOYSA-N 348.422 1.988 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@H]1C 69742597 ANWVXPLSKPSRSF-DOMZBBRYSA-N 337.468 1.016 0 40 EDAB C[C@H]1CN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)[C@@H](C)CO1 69843436 GVUGWMVLSTZNAZ-RYUDHWBXSA-N 330.388 1.319 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)n1 72287477 WPWBHCIZYVLBCA-DOMZBBRYSA-N 329.404 1.921 0 40 EDAB O=C(CCn1cncn1)NCc1ccnc(N2CCCCCC2)c1 71885818 NTEFVVRTXMBPNA-UHFFFAOYSA-N 328.420 1.760 0 40 EDAB CCOC(=O)Cn1c(=O)[nH]c2sc3c(c2c1=O)CC(C)(C)OC3 8743182 CYIOHTVXPXOUBT-UHFFFAOYSA-N 338.385 1.166 0 40 EDAB CCSCCN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 71913973 ZLMQMLYFESDANV-UHFFFAOYSA-N 333.479 1.351 0 40 EDAB C[C@@H](c1ccsc1)N1CCN(C(=O)NCCC[S@@](C)=O)CC1 97142713 RJZKPAIKXMFYAW-XMHCIUCPSA-N 343.518 1.905 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)Cn1ncc3ccccc3c1=O)C2 97198291 TVDXYGGNGAPCOW-AWEZNQCLSA-N 337.383 1.033 0 40 EDAB O=C1NC(=O)[C@@H](CCC(=O)N2CCC[C@H]2Cc2cccc(F)c2)N1 84372374 KJPODRWJORCEMZ-UONOGXRCSA-N 333.363 1.347 0 40 EDAB O=C(NC1CCCC1)c1ccc(NCc2nnc3ccccn23)nn1 84606644 GHPOKGQOEHDZGJ-UHFFFAOYSA-N 337.387 1.804 0 40 EDAB CC[C@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@@H]1N1CCOCC1 84736099 XEXAYKLOUAHDSJ-GUYCJALGSA-N 343.431 1.151 0 40 EDAB CCN1CCN(CCC(=O)Nc2ccc(C)cc2C(=O)N(C)C)CC1 73675685 KXILHKBRENCDTJ-UHFFFAOYSA-N 346.475 1.663 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](Cn2c(-c3cccs3)noc2=O)C1 95963569 YUEWKKWGGGUAMI-SNVBAGLBSA-N 343.430 1.236 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N[C@@H](C(=O)O)C(C)C)n1 95960575 JQPAKJOFYCZFNP-SNVBAGLBSA-N 328.800 1.815 0 40 EDAB CO[C@@H](CNC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1)C(C)C 89791338 OBFREJPFQFBQOF-RYUDHWBXSA-N 325.375 1.935 0 40 EDAB O=S(=O)(CC[C@@H]1CCCO1)NCc1cccc(-n2cccn2)c1 89780887 MGWHMGYSYIHWLJ-INIZCTEOSA-N 335.429 1.861 0 40 EDAB Cc1cnc([C@@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C2CC2)s1 89702383 IZTNAXFMEUHQTJ-RISCZKNCSA-N 334.445 1.965 0 40 EDAB CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CCN(Cc2ncc[nH]2)C1 89893604 FHHXXALBWKKTIR-ZDUSSCGKSA-N 332.408 1.539 0 40 EDAB CCC[C@@](C)(O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O 76019195 BUBRNAOFHSDDFN-IEBWSBKVSA-N 345.443 1.882 0 40 EDAB Cc1cc(N2CCN(c3ccnc(N(C)C)n3)CC2)nc(C2CC2)n1 352364436 DCTOUEVNGDZILT-UHFFFAOYSA-N 339.447 1.845 0 40 EDAB C[C@@H](NC(=O)C(=O)N[C@@H]1COc2ccccc2O1)c1ccccc1 27298921 AABYRQRTDIJIJY-WBMJQRKESA-N 326.352 1.778 0 40 EDAB CC(C)(C)n1cc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cn1 548677984 VKCVXRSWXHGPBG-OAHLLOKOSA-N 339.447 2.367 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)NCc2cccnc2OC(C)C)c1C 79039242 DUGSTEORSAHDDT-UHFFFAOYSA-N 330.388 1.509 0 40 EDAB Cc1nc(C)c(C)c(N2CCCN(C(=O)c3cnns3)CC2)n1 1057097861 KFPKLQKDLSECTD-UHFFFAOYSA-N 332.433 1.606 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1 14253067 ZKCMCSLKWICVRU-UHFFFAOYSA-N 343.401 1.231 0 40 EDAB CC(C)[C@H](N)C(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 79391478 JWQFFRBLKNVBKQ-KBPBESRZSA-N 325.453 1.970 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2ccnc(Cl)n2)[C@H](C(=O)O)C1 72203523 MBAXXDAWQXLQIM-VIFPVBQESA-N 342.783 1.640 0 40 EDAB NCC(=O)N(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 79392984 IKPIEFGATXSBOC-INIZCTEOSA-N 331.416 1.737 0 40 EDAB CC(=O)N1CC[C@@H](CN(C)C(=O)Cc2ccc3c(c2)CCCO3)C1 563166402 QGLYYNTWWSYSNV-INIZCTEOSA-N 330.428 1.881 0 40 EDAB CCOCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241751 UBEGWSCWENJQBS-HZPDHXFCSA-N 338.379 1.267 0 40 EDAB C[C@H]1CN(c2ncc3c(n2)CN(C2CCSCC2)C3=O)C[C@H](C)O1 41122955 ANTFCLWIRCLYEK-RYUDHWBXSA-N 348.472 1.942 0 40 EDAB O=C(NCc1ccc(C2CC2)cc1)N1CCOC[C@H]1c1nc[nH]n1 567218617 JCJSYHQAUMHYRV-HNNXBMFYSA-N 327.388 1.965 0 40 EDAB C[C@@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)[C@H]1CCCO1 61880284 PMXNQOTWXLSPRR-GDBMZVCRSA-N 347.463 1.200 0 40 EDAB O=C1CSC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)=N1 226822944 INYZQTCLWDSJEW-UHFFFAOYSA-N 325.198 1.901 0 40 EDAB CC1(C)CN(S(=O)(=O)c2ccc(F)cc2F)[C@H](C(=O)O)CO1 567446065 ASXWRTUEXGRIQT-JTQLQIEISA-N 335.328 1.218 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)cc2F)s1 223216942 VTWFQYLBNYRBJO-UHFFFAOYSA-N 348.356 1.966 0 40 EDAB Cn1[nH]c([C@@H]2CCCN2C(=O)c2csc(C(F)(F)F)n2)nc1=N 575026487 WQUAPSGHQXIIMR-ZETCQYMHSA-N 346.338 1.680 0 40 EDAB COc1ccc(NC(=O)C(=O)NCCc2ccccc2OC)cn1 44919192 AZVZSPHJOGNZNC-UHFFFAOYSA-N 329.356 1.396 0 40 EDAB O=C(Nc1cccnc1)C(=O)N1CCC[C@H](NCc2ccccc2)C1 195574306 WBKCFYOHPAOFLE-KRWDZBQOSA-N 338.411 1.801 0 40 EDAB COc1cc(-c2ncc(CCC(=O)O)c(=O)[nH]2)cc(OC)c1OC 223447139 NBCKSPLPMFLITK-UHFFFAOYSA-N 334.328 1.480 0 40 EDAB COc1nn(C)cc1C(=O)Nc1nnc(-c2sc(C)nc2C)o1 49449720 VYXFYTMWTNDNEM-UHFFFAOYSA-N 334.361 1.804 0 40 EDAB CN1CCN(C)[C@@H](CNC(=O)N[C@@H]2CCCOc3ccccc32)C1 195530159 UVCDNRDOBUBWRT-GOEBONIOSA-N 332.448 1.445 0 40 EDAB COc1ccc(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 47324019 YUPXGIHIVUCVMY-LBPRGKRZSA-N 341.433 1.488 0 40 EDAB CO[C@H]1CN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC[C@@H]1C 195573755 SWKXMVXTJRQCGW-XQQFMLRXSA-N 337.386 1.937 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(c2cc(Br)ccn2)CC1 97097169 DLYRMYYIFXXRCF-GFCCVEGCSA-N 340.221 1.672 0 40 EDAB Cn1cc(C(=O)N2C[C@@H]3CN(Cc4ccsc4)CCO[C@@H]3C2)cn1 96108235 MODGDPBYGZCGOK-JKSUJKDBSA-N 346.456 1.455 0 40 EDAB Cc1cc(CN2CC[C@@]3(C[C@@H](NC(=O)N4CCCC4)CCO3)C2)no1 96207959 SKSDNYVWJUYOGP-MAUKXSAKSA-N 348.447 1.912 0 40 EDAB COc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1cccnc1)COC3 96112582 XAGPQHMSTALKQD-ZDUSSCGKSA-N 338.367 1.941 0 40 EDAB biogenic,in-vitro CCOc1cc([C@@H](N)c2n[nH]c(-c3cnccn3)n2)ccc1OC 95534395 WKAMOPJQCVCXLY-CQSZACIVSA-N 326.360 1.717 0 40 EDAB CCS(=O)(=O)NCC(=O)N(C)Cc1ccc(Cl)cc1Cl 95442143 JYIDAZKPYGXSKL-UHFFFAOYSA-N 339.244 1.891 0 40 EDAB CC1(C)[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)[C@@H]2CCO[C@@H]21 97096561 DEHVXHIQZUXYGN-ULQDDVLXSA-N 344.459 1.722 0 40 EDAB CN(C)c1ncc(-c2cc(C(=O)NCCO)n(CC3CC3)c2)cn1 96037652 NWLSLOGATDJKKR-UHFFFAOYSA-N 329.404 1.143 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)no1 96207394 WHLKFILSIHQNKB-PXAZEXFGSA-N 344.371 1.575 0 40 EDAB Cc1cc(NC(=O)[C@H](C)[S@](=O)c2nnc(C(C)C)n2C)on1 96450271 SSXWRERXXWZCMA-GTUYJWLHSA-N 325.394 1.370 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccsc2)Cc2cncn2C1 96209193 MMZIGUYONFRWFU-OAHLLOKOSA-N 348.472 1.681 0 40 EDAB O=C([C@@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@H]2O1)N1CCCCO1 96066249 SAGKYMGSWXYODQ-BHYGNILZSA-N 331.416 1.615 0 40 EDAB Cc1nn[nH]c1C(=O)N1C[C@@H](COc2ccccc2)OC(C)(C)C1 583617381 DOBAZHVFCSUTCQ-AWEZNQCLSA-N 330.388 1.812 0 40 EDAB O=C1CCCN1C[C@@H]1CN(C(=O)c2ccccc2)Cc2nccn2C1 96188454 TYANHBARPWGDHJ-OAHLLOKOSA-N 338.411 1.778 0 40 EDAB CCOC(=O)[C@@H]1Sc2[nH]c(=O)sc2C(C)(C)[C@@H]1C(=O)OCC 96318918 ZRESXDYWPJDXFY-JGVFFNPUSA-N 345.442 1.931 0 40 EDAB Cc1cc(CN2C[C@@H](C)[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)oc1C 96201709 MDVFAARUINQIJM-AUUYWEPGSA-N 347.459 1.655 0 40 EDAB CO[C@@](C)(CNS(=O)(=O)c1cnn(C)c1)c1cccc(Cl)c1 96393007 RJMARNMWDQYBOF-AWEZNQCLSA-N 343.836 1.914 0 40 EDAB O=C(COc1ccccc1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96220082 GDDXQURQSFCFMP-FUHWJXTLSA-N 330.428 1.635 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCN(Cc2ccccc2)C[C@H]1C 96413165 PQKQHGYJVCMSEB-OAHLLOKOSA-N 338.473 1.544 0 40 EDAB CCc1cnc(N2CC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)nc1 96072738 HTWLGKMTACVUMK-YOEHRIQHSA-N 326.404 1.679 0 40 EDAB CCOc1ccc(C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)cn1 1597059408 AYDNAFGCOLUNJW-INIZCTEOSA-N 342.351 1.971 0 40 EDAB COCCn1cnc(-c2nc(C(=O)NC(C)C)c3ccccn23)c1 96155018 GGDVRZYKHWJHGA-UHFFFAOYSA-N 327.388 1.982 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(Cc4ccccn4)CC3)nn2)n1 96453273 WICWTDFKAXMGGG-UHFFFAOYSA-N 335.415 1.688 0 40 EDAB Cc1ccnc(NCc2ccc(CN3CCS(=O)CC3)cc2)n1 585092041 BZOOVJCPCBUHCV-UHFFFAOYSA-N 330.457 1.961 0 40 EDAB CN(C)C(=O)COCC[C@H]1CCOC2(C1)CN(C1CCOCC1)C2 247941434 ADGKWRDJKKQYHW-HNNXBMFYSA-N 340.464 1.141 0 40 EDAB CCCS(=O)(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2ccco2)C1 249696147 SBDOBIGJFWVDHN-DZGCQCFKSA-N 326.418 1.348 0 40 EDAB O=S(=O)(c1cccnc1)N1CC2(C[C@H](OCC3CC3)CS2)C1 247292970 BNDSMKLFDKQHIY-ZDUSSCGKSA-N 340.470 1.757 0 40 EDAB O=C(NCCCOCCO)[C@]12CCC[C@H]1CN(Cc1ccccc1)C2 585129274 DNIFTWUQMVMXDO-ICSRJNTNSA-N 346.471 1.804 0 40 EDAB C[C@H]1CCc2ccccc2N1C(=O)COc1ccncc1C(N)=O 585123139 XBURPQQSJXEMQT-LBPRGKRZSA-N 325.368 1.927 0 40 EDAB O=[S@](CCNS(=O)(=O)c1cc(F)ccc1F)C(F)(F)F 585115159 OWAUGMGNGVSJJG-LJQANCHMSA-N 337.291 1.512 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N2CCC[C@@](O)(CN(C)C)C2)c1 585137918 AEHDOTCCJPXFSK-OAHLLOKOSA-N 330.425 1.211 0 40 EDAB CC(C)CCC[C@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]1[C@]1(C2)NC(=O)NC1=O 585131820 HCWGDTDSALYFEZ-ZWBJBQOGSA-N 335.448 1.942 0 40 EDAB Cn1nncc1S(=O)(=O)N1CCOc2c1cccc2C(F)(F)F 585124114 DZKZGISWWVKQSF-UHFFFAOYSA-N 348.306 1.422 0 40 EDAB CCc1nccn1-c1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cn1 257306925 SWPBTKOYRITQFD-MRXNPFEDSA-N 348.428 1.137 0 40 EDAB COc1ccc([C@@H]2CN(Cc3cncnc3)CCN2C(C)=O)cc1 257319699 VTQWRWMCMLFHNP-SFHVURJKSA-N 326.400 1.891 0 40 EDAB CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1O 257249597 JJAKBPQOPPCIEX-IAGOWNOFSA-N 326.400 1.184 0 40 EDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(CC(=O)N2CCCC2)C3)n1 253601258 NNGLPBCQJLQZEK-OAHLLOKOSA-N 346.431 1.020 0 40 EDAB CCOc1ccccc1CN1CCN(C(C)=O)C[C@@H](C(=O)N(C)C)C1 257292755 QMVCKICGVKHSEX-KRWDZBQOSA-N 347.459 1.454 0 40 EDAB Cn1ccs/c1=N\C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24679090 AJLAPURQUZXFTQ-PXSDHIKXSA-N 345.380 1.296 0 40 EDAB CNC(=O)c1cc(C)nc([C@]2(C)CCCN2c2cc(C)ncn2)n1 257306626 SVCDBXNAJSQMQB-KRWDZBQOSA-N 326.404 1.759 0 40 EDAB Cc1nnc(NC(=O)[C@H]2COCC(=O)N2Cc2cccs2)s1 85472607 IGKMRGAROZXKET-SNVBAGLBSA-N 338.414 1.274 0 40 EDAB CN(C)c1cccc([C@@H]2CN(C(=O)CC3CCOCC3)CCO2)n1 257236646 HDBODEWCXZEKMS-INIZCTEOSA-N 333.432 1.864 0 40 EDAB O[C@@H]1[C@H](Oc2cccc(F)c2)CC[C@@H](NCc2nccs2)[C@H]1O 257334619 YGRXLWDLFTYFKO-RRCSTGOVSA-N 338.404 1.704 0 40 EDAB CN(C)[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 604382079 CJCBGGAXNPMSNO-JOCBIADPSA-N 345.418 1.745 0 40 EDAB biogenic,in-vitro Cc1ccn(CCC(=O)N[C@@H]2CCC[C@@H](n3ccnc3C)[C@@H]2O)n1 257324243 WNUHRCJASNTPKW-BFYDXBDKSA-N 331.420 1.357 0 40 EDAB COCc1cc(NC(=O)C2(S(C)(=O)=O)CCC2)cc(C(=O)O)c1 263553011 XJLBVXYHMNJDKR-UHFFFAOYSA-N 341.385 1.437 0 40 EDAB COc1ccc2c(ccn2CCCNC(=O)[C@@H](C)n2cnnn2)c1 1614476554 FTYOTSHPQNIFCO-GFCCVEGCSA-N 328.376 1.404 0 40 EDAB O=C(N[C@H]1CC2(CCNCC2)Oc2ccccc21)N1CCOCC1 1614983019 NXQZRNMATKLDFV-HNNXBMFYSA-N 331.416 1.674 0 40 EDAB Cn1nc(-c2ccncc2)cc1C(=O)NC1CCC2(CC1)C[C@H]2N 1615544810 AYHFGAMGTRRVHQ-CRPOECCBSA-N 325.416 1.872 0 40 EDAB Cc1cn2nnc(C(=O)N3CCO[C@H](c4ccccc4)C3)c2c(O)n1 1625093167 KLJATBXEDFOXEM-ZDUSSCGKSA-N 339.355 1.352 0 40 EDAB CN(C)c1ccc([C@@H](O)CNC(=O)c2ccc3c(c2)OCO3)cc1 90611704 PNDJIKLXPCKHPD-HNNXBMFYSA-N 328.368 1.945 0 40 EDAB CCn1cc(S(=O)(=O)N2CCC[C@H](c3cnn(C)c3)C2)nc1C 681288804 IVLRZBMXPMNOTO-ZDUSSCGKSA-N 337.449 1.513 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2ccccn2)C1=O 69453665 FTRQURPFDFHHNY-SNUQEOBHSA-N 344.415 1.638 0 40 EDAB CCNC(=O)CN(CC)C(=O)CC(C)(C)NC(=O)OC(C)(C)C 71916044 KVNJEZVATZFEBD-UHFFFAOYSA-N 329.441 1.664 0 40 EDAB Cc1cnc(OC[C@H]2CCCN(c3ncnc4c3cnn4C)C2)nc1 1776001073 YAKQXFRAEYKJHQ-ZDUSSCGKSA-N 339.403 1.757 0 40 EDAB O=C(C[C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 46786310 KYHSXOIZYURTAS-HNNXBMFYSA-N 332.400 1.629 0 40 EDAB O=C(C=C(C1CC1)C1CC1)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 56602915 HXLMALVGXZDGKC-UHFFFAOYSA-N 340.383 1.657 0 40 EDAB Cc1cccc(N2CCN(C(=O)c3nccn4ccnc34)[C@H](C)C2)n1 73726983 SAQSQZMCJCYTMV-CQSZACIVSA-N 336.399 1.784 0 40 EDAB Cc1cc(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)n(C)n1 58265610 YGOOXTIDJDAHAA-CYBMUJFWSA-N 345.325 1.032 0 40 EDAB C[C@H]1CS(=O)(=O)CCN1C(=O)NC[C@@H](C)Sc1ccccc1 75805090 VJMICBPPWMBTHD-QWHCGFSZSA-N 342.486 1.996 0 40 EDAB O=C(Nc1cn[nH]c1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 60358441 ROTPTFYCRXCGQS-UHFFFAOYSA-N 339.359 1.276 0 40 EDAB C[C@H](C(=O)N[C@H]1CCN(C2CC2)C1=O)N1CCc2ccccc2C1 89448846 OJFPKDYLSKNJIF-DYVFJYSZSA-N 327.428 1.313 0 40 EDAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(OC)cc1 491233 MTTZMGKEPYXPSC-MRXNPFEDSA-N 329.352 1.915 0 40 EDAB NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 5260360 PKVJPBSSMIQRSH-UHFFFAOYSA-N 329.447 1.224 0 40 EDAB CCCCNC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 14399360 KLZMQZQERUGELL-UHFFFAOYSA-N 342.417 1.488 0 40 EDAB CCOc1ccc(C(=O)NCCNC(=O)c2nc(C3CC3)no2)cc1 15082452 YLKREDGZXXFNLQ-UHFFFAOYSA-N 344.371 1.506 0 40 EDAB CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)n[nH]1 19451831 QFVXUZUDKVUMQP-MRXNPFEDSA-N 340.431 1.946 0 40 EDAB COc1cccc(C(=O)N2CC[C@H](C(=O)Nc3cnn(C)c3)C2)c1 19750293 JRXAQTRQTLHGQN-ZDUSSCGKSA-N 328.372 1.530 0 40 EDAB CCOC(=O)/C(C1=NC(=O)CS1)=C1/NN=C(c2ccccc2)O1 6463269 WGIKLKOBLCUDCV-QBFSEMIESA-N 331.353 1.415 0 40 EDAB CCOc1ccc(N2C[C@@H](NC(=O)N3CCC(O)CC3)CC2=O)cc1 5191813 LMWUCJNPWULQED-ZDUSSCGKSA-N 347.415 1.357 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)COc2cc(C)ccc2Cl)[C@@H]1O 643585163 NUCRTMUZVBQIDW-XFJVYGCCSA-N 343.807 1.166 0 40 EDAB Cc1noc(C)c1C(=O)NCC1CCN(c2ncc(F)cn2)CC1 244933103 CBIJZRCXAXMVIB-UHFFFAOYSA-N 333.367 1.867 0 40 EDAB CCc1c(C(=O)N2CC(C)(C(N)=O)C2)cnn1-c1ccccc1C 574521646 PKOYIQVUBAVCES-UHFFFAOYSA-N 326.400 1.691 0 40 EDAB C[C@H]1CN(c2cccc(Cl)c2)CCN1c1nccn2nnnc12 585092313 OPHNFXLAYNZWDS-NSHDSACASA-N 329.795 1.888 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 7016081 UNARPRZDEFKXSN-LLVKDONJSA-N 346.836 1.406 0 40 EDAB Cn1cnc2c(N3CCC[C@@H](C(=O)N4CCSCC4)C3)ncnc21 1888854243 NOTSDHPVJFGNJT-GFCCVEGCSA-N 346.460 1.155 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c1C 17782851 RKHHSCHGOYVQGD-AOOOYVTPSA-N 336.388 1.627 0 40 EDAB Cn1ccc(N2CCC3(CCN(C(=O)C4CC(F)C4)CC3)C2=O)n1 1565544232 BQGQCDCVQJIROL-UHFFFAOYSA-N 334.395 1.514 0 40 EDAB COc1cnccc1C(=O)N1CCC2(CC1)CC(=O)N(CC1CC1)C2 1565547202 GNWSZRMZHNCLNO-UHFFFAOYSA-N 343.427 1.955 0 40 EDAB COc1cnc(O[C@H]2CCN(CC(=O)Nc3ccc(C)cc3)C2)nc1 2086869149 YITBTKADMVAGDV-HNNXBMFYSA-N 342.399 1.885 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)NCCOCCn1ccnc1 575620455 SWHKOZIIFYWMCW-UHFFFAOYSA-N 343.836 1.840 0 40 EDAB CCOC(=O)CNC(=O)CCCCSc1ncnc2nc[nH]c12 8635208 GOZRRIWDZQPGMN-UHFFFAOYSA-N 337.405 1.295 0 40 EDAB CCOC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 19530518 USGXYXAUEOMHMM-QGZVFWFLSA-N 331.372 1.114 0 40 EDAB CSCC[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O 4045057 DPWXMRJIQVUCRE-JTQLQIEISA-N 326.374 1.786 0 40 EDAB biogenic CN(C)c1ccc([C@H](O)CNC(=O)C(=O)NCc2ccccc2)cc1 90611899 MPLZJKJYYJVYOC-QGZVFWFLSA-N 341.411 1.219 0 40 EDAB COc1ccccc1OCCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 40487994 HTVHHJFJOIVPII-STQMWFEESA-N 344.433 1.018 0 40 EDAB CC(=O)c1ccc(N2C(=O)[C@H]3ON=C(c4cccnc4)[C@H]3C2=O)cc1 101225118 SMOFNUDLCMBJKP-ZBFHGGJFSA-N 335.319 1.577 0 40 EDAB Cc1cn2nc(N3CCC(C(=O)N4CCN(C)CC4)CC3)sc2n1 52161208 PBFGGEOOAWCTFH-UHFFFAOYSA-N 348.476 1.090 0 40 EDAB Cc1ccc(N2N=C(C(=O)N(C)Cc3ccco3)NCC2=O)cc1 32687390 OWCMNXUIPAZFRD-UHFFFAOYSA-N 326.356 1.496 0 40 EDAB Cc1cccc(OCCNC(=O)C2CCN(S(C)(=O)=O)CC2)c1 22096725 GACIZDFLNCMZCA-UHFFFAOYSA-N 340.445 1.162 0 40 EDAB Cc1nc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n[nH]1 103256296 UDNWCEZTNVKABL-LBPRGKRZSA-N 349.416 1.153 0 40 EDAB Cc1nc(-c2ccc(N3CCC[C@@H]3C(=O)N(C)C)nc2)[nH]c(=O)c1C 84052242 FYUZEWOCCHCBCM-CQSZACIVSA-N 341.415 1.506 0 40 EDAB CN[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 53202862 HYBANXYQNUJAAL-LLVKDONJSA-N 333.251 1.822 0 40 EDAB Cc1cc(F)cc2c(=O)c(C(=O)NCC(=O)NC(C)(C)C)c[nH]c12 78875641 DHSHDMDXEGQPGH-UHFFFAOYSA-N 333.363 1.620 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1)C(C)C 1642759 HPCAUARJFQDLKR-IAGOWNOFSA-N 346.427 1.882 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1(C)C 78942396 URUPGRHVGIKKSW-CABCVRRESA-N 336.436 1.705 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCCC3=O)CC2=O)cc1 22625516 XDQGKQIEYQTNMC-HNNXBMFYSA-N 343.427 1.477 0 40 EDAB Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1 4076024 RZXMQAUOJUDTRO-UHFFFAOYSA-N 349.393 1.983 0 40 EDAB aggregator CNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 6734758 GSOHVXRFOXPDGS-UHFFFAOYSA-N 338.360 1.995 0 40 EDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 7216507 UEWGMBDYUPNDMV-ZDUSSCGKSA-N 331.459 1.501 0 40 EDAB CNC(=O)NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 7313414 UGBMPBIVHXXLEV-UHFFFAOYSA-N 342.380 1.581 0 40 EDAB COc1ccccc1OS(=O)(=O)c1cccc(S(N)(=O)=O)c1 23390238 CNDVDQYTEHLHAE-UHFFFAOYSA-N 343.382 1.110 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)N[C@](C)(C2CC2)C1=O 24089600 IOMCPPZLKBMGAX-KBXCAEBGSA-N 332.400 1.764 0 40 EDAB CC(=O)N[C@@H](CC(=O)NCCCC(N)=O)c1ccc(Cl)cc1 42925825 HDORUCQHQYRTMX-ZDUSSCGKSA-N 325.796 1.289 0 40 EDAB C[C@@H](SCc1ccccc1F)C(=O)N[C@@H]1CCS(=O)(=O)C1 24519333 AQTREVZVXQYELU-ZYHUDNBSSA-N 331.434 1.751 0 40 EDAB CCOc1ccc(Cl)c(C(=O)NCCC(=O)N2CCOCC2)n1 55184462 PDSBEUXFQYMQOI-UHFFFAOYSA-N 341.795 1.112 0 40 EDAB O=C(NCc1ccncc1)c1c(O)n2c3c(cccc3c1=O)CCC2 1242182 JDYRGMXBHGEAJR-UHFFFAOYSA-N 335.363 1.978 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(NS(C)(=O)=O)c1 24724387 NKNWJCXQKWVQQC-ZDUSSCGKSA-N 342.417 1.376 0 40 EDAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@@H]2COCCO2)cc1 55848290 KMBAEZOVMZSJTM-BXUZGUMPSA-N 338.429 1.657 0 40 EDAB C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 9232626 OVBHNCHCRPKXBB-CYBMUJFWSA-N 340.379 1.951 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@H](C)C(=O)NCCc3ccccc3)CCO2)n1 107054896 PPWXPYJYYJOPSV-CJNGLKHVSA-N 343.431 1.234 0 40 EDAB CCN(CCCNC(=O)NCc1cccc(F)c1)S(C)(=O)=O 56397296 CLGIDLODOSBWNB-UHFFFAOYSA-N 331.413 1.297 0 40 EDAB Cc1c(NC(=O)CN2CCSC2=O)c(=O)n(-c2ccccc2)n1C 58051872 VXEXXCYXVRSOFD-UHFFFAOYSA-N 346.412 1.592 0 40 EDAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccco1 3216594 YIFWBYJLZGSTBF-UHFFFAOYSA-N 332.312 1.014 0 40 EDAB CCO[C@@H]1C[C@@H](N(C)c2ncnc3c2cnn3CC(=O)OC)C1(C)C 72293813 NNUYTHYRBIAFGL-CHWSQXEVSA-N 347.419 1.639 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCN(Cc2cc(C)no2)CC1)C1CCCC1 44890822 PLYNYVGESSFKNL-KRWDZBQOSA-N 348.447 1.322 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C 48287107 BOWNJFSPIPUPIG-AWEZNQCLSA-N 334.399 1.539 0 40 EDAB CCC(=O)N1CCN(C(=O)Cc2ccc(OC(F)F)cc2)CC1 58217484 JFTLYZRHEFDLNC-UHFFFAOYSA-N 326.343 1.911 0 40 EDAB CNC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1 12753428 YYBMJRSOLRCCNY-UHFFFAOYSA-N 340.383 1.530 0 40 EDAB Cc1nccc(C(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)n1 58333004 KHOBDIBIBUZFHV-UHFFFAOYSA-N 333.355 1.930 0 40 EDAB CN1C(=O)C(S(=O)(=O)c2ccc(Cl)cc2)=C(N)C12CCC2 58381014 PRSRIYFCWUPWEL-UHFFFAOYSA-N 326.805 1.679 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)NCC1(c2ccccc2C)CC1 58343162 OWMMIPAVSHTQQR-CQSZACIVSA-N 335.473 1.933 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 58404135 SCOBAJMIKZSZNH-GJZGRUSLSA-N 338.429 1.426 0 40 EDAB COCCn1c(SCC(=O)NC(C)C)nc2ccccc2c1=O 3319217 ZPEJKZRDLAQHRQ-UHFFFAOYSA-N 335.429 1.660 0 40 EDAB O=C1COc2ccc(S(=O)(=O)NC[C@H]3C[C@@H]4CC[C@@H]3C4)cc2N1 102451754 VWYBMNCJNPYZKN-IJLUTSLNSA-N 336.413 1.732 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)C1CCN(C(=O)N2CCCC2)CC1 58953389 CKLWXKWAHROCEM-AWEZNQCLSA-N 333.436 1.316 0 40 EDAB CN(C(=O)NCCCNS(C)(=O)=O)[C@H]1CCCc2ccccc21 48355621 DFOCGICXLKLPNC-HNNXBMFYSA-N 339.461 1.645 0 40 EDAB CC1(C)COCCN1C(=O)c1cnn2cc(Br)cnc12 179467419 XQPNZFQYTRJYDS-UHFFFAOYSA-N 339.193 1.743 0 40 EDAB CCc1cccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 48331580 FDHNBSQVARVEEZ-PVAVHDDUSA-N 329.396 1.940 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H](c2nncn2C)C1 45741663 RMPUHNGEEOCGNY-CYBMUJFWSA-N 341.481 1.504 0 40 EDAB CSc1ccc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)cc1 12887401 ZCBHCLSEEAKCGC-UHFFFAOYSA-N 333.457 1.901 0 40 EDAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N=c1[nH]c2ccccc2[nH]1 8973080 AWRBNRZRKIZHJF-UHFFFAOYSA-N 349.350 1.017 0 40 EDAB CCCc1noc([C@@H](C)S(=O)(=O)Cc2nc(C3CC3)no2)n1 46174132 MJUSKDMLTHBYPI-MRVPVSSYSA-N 326.378 1.959 0 40 EDAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCCC2)C1=O 3456922 XJEMWHXJMGBPRG-MRXNPFEDSA-N 335.791 1.729 0 40 EDAB Cc1oc2ncn(CC(=O)N(C(C)C)C(C)C)c(=O)c2c1C(=O)O 13056522 UGWLABQNDQAQEA-UHFFFAOYSA-N 335.360 1.642 0 40 EDAB O=c1c2c(-c3ccc(Cl)cc3)n3ncnc3nc2ccn1CCO 38828827 LYERCMHBNSBEOL-UHFFFAOYSA-N 341.758 1.752 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 13690525 LNFMUKUSURPMDT-UHFFFAOYSA-N 344.437 1.268 0 40 EDAB CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@H]1COC(=O)N1 71315124 AAXJAPIWSBOCPO-OAHLLOKOSA-N 340.383 1.443 0 40 EDAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 13986597 LRDUBCIPNNKNHU-AWEZNQCLSA-N 331.807 1.479 0 40 EDAB Cc1nccn1CCNCc1c(C(C)C)nn(C)c1N1CCOCC1 65475463 HEDWSIUZDVXDAF-UHFFFAOYSA-N 346.479 1.675 0 40 EDAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](C)c1nnc2n1CCC2 65449404 NGCUASUTPKGHTR-NSHDSACASA-N 342.399 1.855 0 40 EDAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 22618743 HMNDTIKQGAZEBE-SNVBAGLBSA-N 348.432 1.469 0 40 EDAB Cn1nnnc1N1CCC(NC(=O)/C=C/c2c(F)cccc2F)CC1 65515925 RFUBWNXDSJXIPC-AATRIKPKSA-N 348.357 1.287 0 40 EDAB Cc1nn2c(=O)/c(=C\c3ccc(Cl)cc3Cl)sc2nc1=O 4520976 PXXSQQMATPZRHL-ONNFQVAWSA-N 340.191 1.674 0 40 EDAB NC(=O)Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCCS3 5451251 JWYITEFYCOUCRK-UHFFFAOYSA-N 332.360 1.471 0 40 EDAB O=C(CN1CCSC1=O)NCCc1ccc(-n2cccn2)cc1 14729072 KNGQLCZTTWULIX-UHFFFAOYSA-N 330.413 1.700 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2ccc3c(c2)CCC3)C1 67558665 WOEWDYHOQBBWNZ-HNNXBMFYSA-N 337.445 1.721 0 40 EDAB COc1ccc(C)cc1NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 67557481 WHMPENCBPHSJTM-LBPRGKRZSA-N 341.433 1.549 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncnn1C 96455155 WSLFWOXCCRULGU-ZBFHGGJFSA-N 342.447 1.525 0 40 EDAB CC(C)CCC(=O)NCC(=O)N1CCN([C@@H](C)c2cccnc2)CC1 70009383 CUZHJTPQGUFSBX-INIZCTEOSA-N 346.475 1.839 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCO[C@H](Cn3nc(C)cc3C)C2)on1 69374150 DFMQPOHJRNCYDC-GJZGRUSLSA-N 347.419 1.524 0 40 EDAB O=C1O[C@@H](C(=O)Nc2ccc(-n3cncn3)nc2)Cc2ccccc21 22989739 YBAPYMXKPGYEGM-CQSZACIVSA-N 335.323 1.383 0 40 EDAB O=C([C@H]1CCCN1CC[S@@](=O)c1ccccc1)N1CCOCC1 69455477 AOCMDQVBSNJPIQ-MWTRTKDXSA-N 336.457 1.117 0 40 EDAB CCC(=O)NCC(=O)NCCc1coc(-c2ccc(OC)cc2)n1 69517770 KVNZGPBLLJLIDT-UHFFFAOYSA-N 331.372 1.535 0 40 EDAB O=C(Cc1ccccc1)NCCNCc1cccc2c1OCCO2 69561016 NBCVTZMBVADZMH-UHFFFAOYSA-N 326.396 1.906 0 40 EDAB CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(CC(F)F)CC1 69509172 MFLXNXRXMURUJX-VXGBXAGGSA-N 349.447 1.343 0 40 EDAB CCC(=O)N1CCN(C(=O)NCCOc2ccc3c(c2)CCC3)CC1 69618402 LQBPNVUCSOIZSO-UHFFFAOYSA-N 345.443 1.818 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)N[C@@H](c1ccccc1)C1CC1 69875395 DIZBXBUVCPJYQC-QAPCUYQASA-N 325.416 1.450 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC1CCN(CCO)CC1 69951316 KWZPXNSJHBBATG-NVXWUHKLSA-N 325.497 1.317 0 40 EDAB COCCN1CCN(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 69951171 DKUWTSUUOUYHJY-OAHLLOKOSA-N 348.365 1.883 0 40 EDAB C[C@H](NCCOc1ccc(S(N)(=O)=O)cc1)[C@H](C)n1cccn1 69973977 WGZVTIDTYDKFCN-STQMWFEESA-N 338.433 1.149 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1cnn(C)c1 96503136 PXAUZELPZXUMFP-PBHICJAKSA-N 327.432 1.740 0 40 EDAB COc1cccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)c1 408662920 MZAVOXDDVJOFFN-CEVLKMKRSA-N 330.336 1.619 0 40 EDAB Cn1cc(C2CCN([C@H](C(=O)NC(N)=O)c3ccccc3)CC2)cn1 97203545 VIPFLNISSORPTL-INIZCTEOSA-N 341.415 1.536 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(Cc3noc(C(C)(C)C)n3)C2=O)cn1 72675593 XIWZURKBNIQCDR-LLVKDONJSA-N 331.376 1.218 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 95395469 MBAIILPSKWORDK-GXSJLCMTSA-N 333.310 1.673 0 40 EDAB CNC(=O)NCC(=O)NCc1ccccc1CN1CCCCCCC1 95445150 UYFIWOJIRFHLSN-UHFFFAOYSA-N 346.475 1.998 0 40 EDAB COC[C@@H]1CCCN(C(=O)C(=O)Nc2ccsc2C(=O)OC)C1 95461365 UHOCJFZEGSOVDC-SNVBAGLBSA-N 340.401 1.358 0 40 EDAB CN(C)CCN1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)CC1=O 74166669 WJJFNAGJFCGVMO-JTQLQIEISA-N 327.787 1.828 0 40 EDAB O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@H]1COCCO1 95955971 YJSLWQNEIBDICD-CQSZACIVSA-N 345.355 1.880 0 40 EDAB CC(C)[C@H](NC(=O)NC[C@H]1CCCO1)c1nc(-c2nc[nH]n2)no1 95972964 JUAWVNIMYCRICN-ZJUUUORDSA-N 335.368 1.030 0 40 EDAB Cn1cc(C(=O)NC2CCN(Cc3ccccc3F)CC2)ccc1=O 95954458 TZKFKNQIXNJYOV-UHFFFAOYSA-N 343.402 1.919 0 40 EDAB COc1ccc(CC(=O)NCCc2nnc3ccccn23)cc1OC 24153593 MFGWPWFVAWGFBQ-UHFFFAOYSA-N 340.383 1.648 0 40 EDAB CCn1c(C)nnc1CN1CC[C@](NC(C)=O)(c2nc(C)cs2)C1 548665024 KHDJSTPSBXZNPZ-MRXNPFEDSA-N 348.476 1.609 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cc2ccoc2)c1 126642255 JSZDOVCARMHTIZ-UHFFFAOYSA-N 336.413 1.534 0 40 EDAB CC(C)CN(C(=O)c1ccc(-n2cnnn2)cn1)c1ccc(F)cn1 1530873752 VEVPVZXPXUYSAY-UHFFFAOYSA-N 341.350 1.894 0 40 EDAB O=C1C[C@]2(CCN(C(=O)c3ccc4nc(C(F)F)[nH]c4c3)C2)CN1 556083450 ILSVYVFYWCGMBO-MRXNPFEDSA-N 334.326 1.853 0 40 EDAB O=C(Cn1ccccc1=O)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 32818373 IOFQUMXCCDDHKN-VXGBXAGGSA-N 332.322 1.855 0 40 EDAB O=C(O)c1ccccc1C(=O)c1cn(-c2ccc(F)cc2)[n+]([O-])n1 66087525 WSBCMCMKXZBENB-UHFFFAOYSA-N 327.271 1.574 0 40 EDAB O=C(CCCN1C(=O)CNC1=O)NCCCOc1ccc(F)cc1 79298100 WLPSGFLJJNUGIL-UHFFFAOYSA-N 337.351 1.043 0 40 EDAB Cc1ccc(-n2cc(C(=O)N3CCC(CN(C)C)CC3)nn2)cc1 78394455 AAZHDGKSLXXOSS-UHFFFAOYSA-N 327.432 1.990 0 40 EDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 44666796 AEAHLOFGXRSICV-CQSZACIVSA-N 333.432 1.506 0 40 EDAB CCOc1ccc2c(c1)OC1(CCN(S(C)(=O)=O)CC1)CC2=O 225820840 CYADIMPQGRZNRY-UHFFFAOYSA-N 339.413 1.845 0 40 EDAB COc1cccc(CN2CCC(NC(=O)[C@H]3COCCO3)CC2)c1 80409214 PUGUCTQIEXKNLD-QGZVFWFLSA-N 334.416 1.191 0 40 EDAB CCN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21 227161953 BJJKEGZDGIDYTO-UHFFFAOYSA-N 338.429 1.997 0 40 EDAB C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)C[C@@H](C)O1 40466431 JYHFKFDBKJJPIQ-VXGBXAGGSA-N 341.433 1.049 0 40 EDAB Cc1cccc2nc(CN3CCOC[C@H]3c3cccn3C)cc(=O)n12 131929414 ZCMUVSKVKIBXTO-KRWDZBQOSA-N 338.411 1.915 0 40 EDAB Cn1nc(OCC(=O)NCCCO)c2cc(Br)ccc21 226754554 NCGQQGLVQLUKPJ-UHFFFAOYSA-N 342.193 1.213 0 40 EDAB CCS(=O)(=O)c1ccc(N2CCC[C@@H](c3nncn3C)C2)cc1 195576084 QIBFHSDFORYAIO-CYBMUJFWSA-N 334.445 1.993 0 40 EDAB O=C(CNC(=O)N1CCC=C(Br)C1)N1CCCCC1 225650289 KVZMRPOJEGELSJ-UHFFFAOYSA-N 330.226 1.693 0 40 EDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)/C=C/c3ccco3)C2)n1 225398293 XCVNRYJXWDANTK-VBROQKIQSA-N 328.372 1.829 0 40 EDAB Cc1cnn(-c2ccncc2NS(=O)(=O)c2cncc(F)c2)c1 95433546 ANWHWRCMFKXRRA-UHFFFAOYSA-N 333.348 1.911 0 40 EDAB O=C(NC[C@H]1C[C@@H]2CN(c3ncccn3)C[C@@H]2O1)c1ccsc1 96083157 QPGGNLMUDSMUIN-MCIONIFRSA-N 330.413 1.562 0 40 EDAB CN(C)Cc1cc(CNC(=O)C(=O)Nc2cccnc2)ccc1F 96407042 XHQNCNIQXNJTBT-UHFFFAOYSA-N 330.363 1.537 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 96158300 YOCJONCARILCKE-KRWDZBQOSA-N 330.411 1.842 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C)C1 92563842 UGWLCBHVQGHAIL-GFCCVEGCSA-N 330.837 1.802 0 40 EDAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cscn1)CC2 96201579 ABOGTZABNAVEHB-LBPRGKRZSA-N 349.456 1.775 0 40 EDAB COC[C@H]1CN(C(=O)c2cscn2)Cc2nnn(CC3CC3)c21 96045571 IRVAATSFDYLXDM-LLVKDONJSA-N 333.417 1.531 0 40 EDAB Cc1noc(C)c1C(=O)NC[C@H]1OCCc2cn(CC3CC3)nc21 96044372 MREUTIRREZHZLV-CQSZACIVSA-N 330.388 1.942 0 40 EDAB O=C(N1CCC[C@@](O)(c2cnn[nH]2)C1)C1(Cc2ccccc2F)CC1 583618959 MXZUQXARYWYVCG-SFHVURJKSA-N 344.390 1.777 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(C(=O)C2CCCCC2)C1 583619152 ADRXVCKSVVTFMG-KGLIPLIRSA-N 329.404 1.993 0 40 EDAB CC[C@@H](NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)c1ccccn1 583651126 FSBPVOFMCDPGBK-GFCCVEGCSA-N 336.417 1.209 0 40 EDAB COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1cccs1 96061100 NVLVJZLZFBSGCZ-CYBMUJFWSA-N 344.444 1.771 0 40 EDAB O=C(CN1CCOCC1)N1CCN([C@@H]2CCc3ccc(F)cc32)CC1 96451979 NUNAXLMUXAHZSJ-GOSISDBHSA-N 347.434 1.289 0 40 EDAB CC(=O)NCC(=O)N1CCc2nc(-c3ccccc3)nc(C)c2CC1 96254558 RJWFAZNLCSQYBT-UHFFFAOYSA-N 338.411 1.515 0 40 EDAB Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2ccccn2)cs1 96184046 UMRJCCAXFUISEH-CABCVRRESA-N 342.424 1.862 0 40 EDAB CC[C@H]1CN(C)CCN1C(=O)Cc1ccc(N2CCOC2=O)cc1 585085980 DUDUFQKTHAIJQU-HNNXBMFYSA-N 331.416 1.738 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCc1cc(Br)no1 585114704 UFDMTASGGYHNPJ-UHFFFAOYSA-N 349.210 1.266 0 40 EDAB CCCCOc1ncccc1CNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 585120811 MXHLEXNBMKVIJJ-CVEARBPZSA-N 333.432 1.740 0 40 EDAB Cc1nocc1S(=O)(=O)N1CCC[C@H](c2nnc3ccccn23)C1 585115922 ZTPLPQVYQFHKLJ-LBPRGKRZSA-N 347.400 1.594 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)cn1 96200908 ZJLMCFODUASYQD-SJORKVTESA-N 327.432 1.511 0 40 EDAB Cc1noc(C)c1CN1CCOC[C@]2(CCN(C3CCOCC3)C2)C1 96062326 FWSAZUCCAKYOGI-LJQANCHMSA-N 349.475 1.995 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)c1ccoc1)CC2 96254585 CWAVGTDQJKDCEJ-UHFFFAOYSA-N 342.399 1.456 0 40 EDAB O=C(NCC[C@H](O)C(F)(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 96420852 JRDDFIHMAXGCJY-KBPBESRZSA-N 346.349 1.317 0 40 EDAB O=C1COC2(CCN(Cc3ccccn3)CC2)CN1c1cccnc1 96201437 WKOBOUDDKDMLBD-UHFFFAOYSA-N 338.411 1.875 0 40 EDAB COC[C@@H]1CN(CC(C)C)CC12CCN(S(=O)(=O)N(C)C)CC2 247941592 IRNLQSRUQUBHHY-HNNXBMFYSA-N 347.525 1.109 0 40 EDAB c1ncc(N2CCOC[C@]3(CCCN(C[C@H]4CCOC4)C3)C2)cn1 247928465 BMMGXVROIKTCOL-AEFFLSMTSA-N 332.448 1.432 0 40 EDAB O=C(C1CCOCC1)N1Cc2cncn2[C@H](COc2ccccn2)C1 247884140 WMQGPFSCRATGTD-INIZCTEOSA-N 342.399 1.667 0 40 EDAB Cc1nc(C[C@H]2CCCN(c3ccnc(C)n3)C2)cc(C(N)=O)n1 257333396 YBJDZBGWWRHEHQ-CYBMUJFWSA-N 326.404 1.441 0 40 EDAB CC(=O)N1CC2(CCN(Cc3cncc(C)c3)CC2)C[C@]1(C)CO 257316911 VHNSZHJWRISIOT-GOSISDBHSA-N 331.460 1.975 0 40 EDAB CCOc1nccn2c(CNC(=O)c3ccc(C(C)=O)s3)nnc12 253473572 WLXFFRYKTPANIL-UHFFFAOYSA-N 345.384 1.717 0 40 EDAB COCC(=O)N1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1 257301788 RZXLAGPWSBRKBU-GFCCVEGCSA-N 328.376 1.363 0 40 EDAB Cc1cncc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)c1 257282543 OUEQNZCWVKRZOJ-UHFFFAOYSA-N 339.443 1.994 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](OCc3cncc(C)c3)CCO2)C1 253604277 SOJVPIOGOCUYJY-HNNXBMFYSA-N 340.445 1.490 0 40 EDAB Cc1cc(CCC(=O)N(C)C)nc([C@@H]2CCCN(CC(=O)O)C2)n1 257269866 MRSBFEBARXBBDF-CYBMUJFWSA-N 334.420 1.070 0 40 EDAB Cc1cc(-c2cc([C@H]3CCCN(S(C)(=O)=O)C3)nc(C)n2)[nH]n1 257292210 QKMAQFFSFTYNKR-LBPRGKRZSA-N 335.433 1.623 0 40 EDAB COc1ccccc1CC(=O)N1CCO[C@H](c2cc(O)nc(C)n2)C1 257344374 ZWYMOINASPNXRY-INIZCTEOSA-N 343.383 1.642 0 40 EDAB O=C(O)COc1ccccc1CN1CCO[C@@H](c2cnccn2)C1 257202435 ALUBWCTXIYQPII-MRXNPFEDSA-N 329.356 1.514 0 40 EDAB CCn1nccc1-c1nccnc1CC1CCN(S(C)(=O)=O)CC1 257257723 KQVYMPDCGAWQDZ-UHFFFAOYSA-N 349.460 1.574 0 40 EDAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cnc(C)cn3)C2)c1F 390828835 USICQMJUQADRLX-LLVKDONJSA-N 331.351 1.570 0 40 EDAB O=C(c1cnc(O)[nH]1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 575605998 IVTXJMOITNOBJC-ZDUSSCGKSA-N 335.385 1.117 0 40 EDAB CC(=O)N1CCC[C@H](NC(=O)CN(C)C)[C@@H]1Cc1cccc(F)c1 585280146 BSDRRGYKNITIIY-IRXDYDNUSA-N 335.423 1.426 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC=C(c2ccccn2)C1 585142569 YYYHKSPJLZCQLD-UHFFFAOYSA-N 332.429 1.910 0 40 EDAB COCC(=O)NC[C@@H]1CCn2nccc2CN1Cc1ccccc1F 585098150 UYODRELVZLAKNO-HNNXBMFYSA-N 346.406 1.559 0 40 EDAB CCn1nc(C)c(CN(C)C(=O)c2cnc3sccn3c2=O)c1C 28233117 QMDBEVBPZCJCGA-UHFFFAOYSA-N 345.428 1.861 0 40 EDAB C[C@H](NC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CCCO1 69459401 NTGSOQWSERCFOC-TUAOUCFPSA-N 330.450 1.980 0 40 EDAB C[C@@H](Nc1cccc(NC(=O)CO)c1)C(=O)NCc1cccs1 66582874 WLWYHFRHTQPYSJ-LLVKDONJSA-N 333.413 1.796 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)c1cc(=O)[nH]c2ccccc12 47122619 IBHPUYKGOBIOKM-UHFFFAOYSA-N 346.350 1.434 0 40 EDAB CO[C@@H](CNC(=O)c1nc2nc(C)cc(C)n2n1)c1ccccc1 48191890 VNZYXXPLHOZCPW-AWEZNQCLSA-N 325.372 1.859 0 40 EDAB Cc1n[nH]c(C(=O)N[C@@H](C(N)=O)c2ccccc2)c1Br 48890384 XHGARIIZEGPVRF-SNVBAGLBSA-N 337.177 1.437 0 40 EDAB Cc1cc(C)n2cc(COC(=O)c3n[nH]c(=O)c4ccccc34)nc2n1 61123936 OLQYBPICPZHACE-UHFFFAOYSA-N 349.350 1.940 0 40 EDAB COCCc1noc(Cn2cc(I)cn2)n1 76018374 FENTVAURXITSKO-UHFFFAOYSA-N 334.117 1.108 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(Cc2nccn2C)C1 84331618 VPNNVIXJTVTHJL-CQSZACIVSA-N 329.452 1.132 0 40 EDAB Cc1cc(C)c(CNS(=O)(=O)N=[S@@](C)(=O)N(C)C)c(C)c1 585115620 KVLISCVUBFVKSX-HXUWFJFHSA-N 333.479 1.521 0 40 EDAB CC[C@@H]1C[C@H]1NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 585115562 GYIQSLGNCHDCKG-JHJVBQTASA-N 348.465 1.340 0 40 EDAB CN(C)C(=O)Cn1nc(-c2cccs2)n(-c2ccncc2)c1=O 12117426 AMKZBHSPOWHTCW-UHFFFAOYSA-N 329.385 1.246 0 40 EDAB CC[C@@H](CN1CCCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 12362918 SATONLMCLJGEKX-AWEZNQCLSA-N 342.443 1.846 0 40 EDAB CN1C[C@@H](NS(C)(=O)=O)C[C@H]1c1nc(-c2ccc(F)cc2)no1 12529996 CAUSQJNUYQPNDU-RYUDHWBXSA-N 340.380 1.170 0 40 EDAB biogenic,in-vitro CN1C[C@@H](c2cc(=O)[nH]c(N(C)CCc3ccccc3)n2)CC1=O 19587490 LEYLJUADZCIRLC-AWEZNQCLSA-N 326.400 1.395 0 40 EDAB Cc1nc(N)ncc1C(=O)N1CCC[C@](C)(C(=O)NC2CCCC2)C1 19746645 IDAUHBVAVCOVQP-SFHVURJKSA-N 345.447 1.668 0 40 EDAB CCS(=O)(=O)N1C[C@H]2CCC[C@@]2(COc2ncc(C)cn2)C1 1888857060 CBVMOJIGNVZORJ-HIFRSBDPSA-N 325.434 1.616 0 40 EDAB O=C([C@H]1CN(Cc2nc3c(s2)CCC3)CCO1)N1CCCCC1 1888890540 FSGARGYHOQBWFW-CQSZACIVSA-N 335.473 1.845 0 40 EDAB CN(Cc1ccco1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 14016699 WOGOMZFCLXZBFQ-UHFFFAOYSA-N 336.413 1.644 0 40 EDAB CCn1cc(C(=O)N2CCOC[C@@H]2c2nc(C)cc(NC)n2)cn1 1848353821 UYDVTZJUMNMRCN-CYBMUJFWSA-N 330.392 1.257 0 40 EDAB CCCc1nnsc1C(=O)NCc1nc(-c2ccnc(O)c2)no1 238886744 QCZBMXUFDOJZTO-UHFFFAOYSA-N 346.372 1.571 0 40 EDAB O=C(CCN1CCCCC1)N1CC[C@@H](c2ccnc3nccn23)C1 2037709938 VXVUGPIFHJBCEQ-OAHLLOKOSA-N 327.432 1.921 0 40 EDAB COCCCN1CC[C@@H]2CN(C(=O)c3cc(OC)no3)C[C@@H]2CC1 2056223648 XUOLXWKFJCQTKW-OKILXGFUSA-N 337.420 1.504 0 40 EDAB CC1CCC(C(=O)N2C[C@H]3ON=C(C(=O)NC4CCC4)[C@H]3C2)CC1 1565550966 HVNLHWQHTUMAJM-CXTZMWEQSA-N 333.432 1.695 0 40 EDAB COC[C@H]1CN(C(=O)CCc2ccc[nH]2)Cc2nnn(CC3CC3)c21 1565554586 VJLMZKIAFYKNPX-CQSZACIVSA-N 343.431 1.721 0 40 EDAB COc1ccccc1CN1CCC(C(=O)N(C)C)(n2ccnc2)CC1 2055713224 IJQADSFXMNUULN-UHFFFAOYSA-N 342.443 1.971 0 40 EDAB COCCCNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCCC1)C2 2055713838 QAJYUZQBTOEFEY-AWEZNQCLSA-N 348.447 1.224 0 40 EDAB CCOC(=O)CCC(=O)N1CCN(C[C@H](O)c2cccs2)CC1 49031279 HNFPRFGTBSBHGJ-ZDUSSCGKSA-N 340.445 1.269 0 40 EDAB COc1cccc(S(=O)(=O)N2CC[C@H](Oc3ccnc(C)n3)C2)c1 575614120 WXYNMYHUNABFPI-AWEZNQCLSA-N 349.412 1.636 0 40 EDAB CCOC(=O)CCC(=O)N1CCC[C@H](Oc2nc(C)cc(C)n2)C1 585147276 MJZCTVYVQBNXDA-AWEZNQCLSA-N 335.404 1.807 0 40 EDAB CCC[C@H](O)Cc1oc(=O)cc(OC)c1CSC[C@@H](O)C(=O)O 2332242364 KFVNFLYPJPYCBL-GXSJLCMTSA-N 346.401 1.031 0 40 EDAB Cc1[nH]c2nc(NC(=O)CCc3ccccc3)nn2c(=O)c1Cl 101392283 YVISVJKZKBPYPT-UHFFFAOYSA-N 331.763 1.951 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)CCN1C(=O)CSc2ccccc21 31395226 OXIWCASEIYPKMP-ZDUSSCGKSA-N 344.440 1.917 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc32)cc1 40516651 MZVXXFJFWIJWMF-UHFFFAOYSA-N 332.381 1.634 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)NCCN1CCCCCC1=O 32309622 JEHIVBBEXDXUDX-UHFFFAOYSA-N 338.429 1.223 0 40 EDAB CN(C)[C@H](CNc1c(NCc2ccccn2)c(=O)c1=O)c1ccco1 101694462 UQZYTNWGTBIECS-CYBMUJFWSA-N 340.383 1.598 0 40 EDAB Cc1cccc(/C=c2\s/c(=C\C(=O)c3ccco3)n(C)c2=O)c1 32754888 GHOQLLGIBHYJPY-APGQMXJTSA-N 325.389 1.840 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1cccc(Cl)c1 102274975 VUANDMJIBGOEFB-OKILXGFUSA-N 332.787 1.907 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O 21559190 DCCFKBXZJLOBHK-CXAGYDPISA-N 336.363 1.424 0 40 EDAB CCOc1ccc([C@H]2CCCN2C(=O)CC[C@H]2NC(=O)NC2=O)cc1 32821013 AVZJKJRUHRXXLE-HUUCEWRRSA-N 345.399 1.737 0 40 EDAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 52659881 CGZWNQZTKJOLST-CZUORRHYSA-N 349.406 1.476 0 40 EDAB CC[C@@H](C)[C@](C)(O)CNC(=O)CCN1C(=O)c2ccc(C)cc2C1=O 71916769 WJERDDGUMJYFFN-BFUOFWGJSA-N 346.427 1.894 0 40 EDAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NC(C)(C)C(=O)O)cc1 96999740 LUUXOIGPAPNOAD-PFEDMVJOSA-N 334.372 1.193 0 40 EDAB CCN1CCN(C(=O)[C@@H](C)Sc2nc(-c3ccccn3)n[nH]2)CC1 78768136 XYYHCRVKQBFQSP-GFCCVEGCSA-N 346.460 1.511 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)[C@H](N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 79471760 PFYMHPNALCYBLB-KANFNMMFSA-N 346.471 1.895 0 40 EDAB CN1C(=O)C(C(=O)c2occc2-c2ccccc2)C(=O)N(C)C1=O 103502006 MMBKSRDGJBBPNT-UHFFFAOYSA-N 326.308 1.796 0 40 EDAB COc1ccc(S(=O)(=O)NCCN2C[C@H](C)O[C@H](C)C2)cc1F 42005133 DYLOPAXXNWWEGF-TXEJJXNPSA-N 346.424 1.222 0 40 EDAB COC(=O)c1cc(C)nc2c1c(C1CC1)nn2CC(=O)NC(C)C 12396311 SFLPQSIGWAKCTI-UHFFFAOYSA-N 330.388 1.928 0 40 EDAB C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 6640580 LDERMBPXNABRGX-PSASIEDQSA-N 336.413 1.864 0 40 EDAB O=C(NCCCn1ccnc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 47597927 CETCNOUDDAAJMG-CQSZACIVSA-N 348.428 1.491 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1 24690217 XVVHYARQZNUEHE-ZDUSSCGKSA-N 330.837 1.884 0 40 EDAB O=C(Cc1cccnc1)N1CCC2(CCN(c3ncccn3)CC2)C1 107190806 SINWABKXVSNQOY-UHFFFAOYSA-N 337.427 1.933 0 40 EDAB CCNC(=O)c1cccc(CNS(=O)(=O)N2CCC[C@@H](C)C2)c1 56066063 KURUPIDFQNJSBX-CYBMUJFWSA-N 339.461 1.503 0 40 EDAB C[C@H]1CN(S(=O)(=O)N2CCOCC2)C[C@@H](c2ccccc2)O1 107342354 JWGPRVRFJUBPRF-ZFWWWQNUSA-N 326.418 1.025 0 40 EDAB C[C@@H](C(=O)NC1CCCCCC1)N1CCN(c2ncccn2)CC1 57315422 QDBFMHFDZVKBMZ-HNNXBMFYSA-N 331.464 1.826 0 40 EDAB Cc1ccc(N[C@@H]2SC(=O)N(CCN3C(=O)CCC3=O)C2=O)cc1 10386901 IYAXONNKBTXNMI-CQSZACIVSA-N 347.396 1.577 0 40 EDAB Cc1noc([C@@H](C)NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)n1 58344007 MLSSVJRDTPRQDP-LLVKDONJSA-N 339.355 1.723 0 40 EDAB Cc1cc(C(=O)N2CCCC2)ccc1NCC(=O)N1CCOCC1 58343747 MKSYOIFALYHZQC-UHFFFAOYSA-N 331.416 1.502 0 40 EDAB COc1cccc([C@@H](CNc2ccc3nnnn3n2)N2CCCC2)c1 58314527 YXXJICKMBJIUSQ-OAHLLOKOSA-N 339.403 1.777 0 40 EDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 62119898 NOQUYDTVNLRSOR-QMMMGPOBSA-N 334.191 1.544 0 40 EDAB COC(=O)[C@H](C)Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1 58393855 OHPXWQOPHHCDIS-NWDGAFQWSA-N 340.449 1.711 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1nnc2n1CCC2 48280220 QQNAUYPIGHHTRX-LBPRGKRZSA-N 337.387 1.604 0 40 EDAB Cc1nc2sc3c(c2c2nc(C(=O)NC[C@@H](C)O)nn12)CCCC3 2210852 BDEXSSVFTIETTP-MRVPVSSYSA-N 345.428 1.637 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)N2CCc3ccccc32)C1 36391959 QLLOYVFIKFVTIH-PBHICJAKSA-N 329.444 1.812 0 40 EDAB CCN1CCN([C@H](C(=O)O)c2cn(C)c3cc(C(=O)O)ccc23)CC1 36354970 ACWKGKUWFBOLOU-INIZCTEOSA-N 345.399 1.640 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 107712507 XZJVEDMSJMAFCA-HOTGVXAUSA-N 340.445 1.429 0 40 EDAB O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1ccncc1 45572418 RZVLQVOBCYCBIU-UHFFFAOYSA-N 341.419 1.205 0 40 EDAB COCCN1CC[C@]2(CCCN(C(=O)c3cncc(C)c3)CC2)C1=O 108533174 NTYMTUONWKAFLE-LJQANCHMSA-N 345.443 1.881 0 40 EDAB Cc1ccc(OC[C@@H](C)NC(=O)N(C)[C@H](C)CS(C)(=O)=O)cc1 69932845 OUSJKZSKVOQQIK-ZIAGYGMSSA-N 342.461 1.837 0 40 EDAB CN1CCN(CCCNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 22933786 BDEMOKDZFOWYNP-GQCTYLIASA-N 331.416 1.182 0 40 EDAB CC(C)NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832225 IGPCJMLJUMJFCM-ZDUSSCGKSA-N 346.836 1.782 0 40 EDAB O=C(Cc1ccccc1NC(=O)c1nccnc1C(=O)O)NC1CC1 71284735 GOGMRRBQDFMBCH-UHFFFAOYSA-N 340.339 1.248 0 40 EDAB CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCc2ccccc2C1 39547802 DUCIDOBFPQBMPH-UHFFFAOYSA-N 335.385 1.333 0 40 EDAB C[C@@H]1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)C[C@@H]1O 93351283 HIYPTCHXJSTTQQ-PBHICJAKSA-N 328.416 1.827 0 40 EDAB CN1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1CO 65403784 MWGYUNHGBXFAJW-ZJUUUORDSA-N 339.244 1.337 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cnc3ccccc3c2)C1 65400972 SNOJJZZEWLFWAW-ZDUSSCGKSA-N 348.428 1.780 0 40 EDAB CCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccs1)C1=C(COC1=O)N2 4495977 ZHFWDFMNYHHEIK-NSHDSACASA-N 345.380 1.376 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)Nc1cccnc1-n1cncn1 65538831 BAJLJWJVSVHPRX-UHFFFAOYSA-N 332.364 1.516 0 40 EDAB O=C(CN1CCC[C@@H](c2noc(C3CC3)n2)C1)NCc1ccccn1 72299876 SHIISWLSJSTTTQ-CQSZACIVSA-N 341.415 1.838 0 40 EDAB CNC(=O)c1nn(CN(C)Cc2ccccc2)c(=O)c2ccccc12 14114479 OLNGQKAIXZIKMY-UHFFFAOYSA-N 336.395 1.846 0 40 EDAB CCN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 4504771 LDRXHGGQKQYUNQ-GFCCVEGCSA-N 331.821 1.754 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H](C)Cn2cccn2)c(C)c1F 96008579 OPDHLSDOGWAQMM-LLVKDONJSA-N 341.408 1.954 0 40 EDAB NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 4731593 DYYOTAOYTXCDPB-ZDUSSCGKSA-N 329.400 1.905 0 40 EDAB CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)O)c(OCC)c2)C1=O 409248788 QQLAEKMYDKSNRE-XYOKQWHBSA-N 348.355 1.851 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)CCOc2ccccc2)cc1 15589804 CKADETOFEWNQSE-UHFFFAOYSA-N 348.424 1.462 0 40 EDAB COc1ccc(NC(=O)COc2ccccc2P(=O)(O)O)cc1 9340637 KBMUDSCDEOLVFL-UHFFFAOYSA-N 337.268 1.516 0 40 EDAB CC(=O)c1sc(NC(=O)CSc2nc(O)nnc2C)nc1C 15859737 HXGXFRGKFDLGGL-UHFFFAOYSA-N 339.402 1.584 0 40 EDAB C[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccc([S@@](C)=O)cc1 90799431 HDMIFAOLKNFYJU-UPBLURMWSA-N 344.502 1.499 0 40 EDAB COCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 8215094 XFRJFGQDHOSZPP-UHFFFAOYSA-N 338.363 1.859 0 40 EDAB CCN(C(=O)CSc1nnc(C2CC2)o1)[C@H]1CCS(=O)(=O)C1 8245349 ZPQIBVDOKURZFI-JTQLQIEISA-N 345.446 1.075 0 40 EDAB CN(C[C@@H]1CCCN1c1cccnn1)[C@H](C(N)=O)c1ccc(F)cc1 71860008 AZRXWADXANYYSM-RDJZCZTQSA-N 343.406 1.743 0 40 EDAB C[C@@H]1CCCCN1c1cc(C(=O)NCCN2CCN(C)CC2)ccn1 69417201 XNKZTQYPWFTWLV-MRXNPFEDSA-N 345.491 1.438 0 40 EDAB O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1)c1ccc(Cl)s1 69482827 GGIFEODQROMHJL-UWVGGRQHSA-N 348.877 1.393 0 40 EDAB Cc1ccc(N2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)nn1 69491749 LNHSYYQMCNRIQF-UHFFFAOYSA-N 340.383 1.866 0 40 EDAB Cc1ccc(OCC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 69569586 LGUUIMUCYLTRAO-KRWDZBQOSA-N 347.459 1.433 0 40 EDAB O=C(CCN1CCO[C@@H](c2ccccc2Cl)C1)N1CCOCC1 69509236 LQBULBMRTWAIAP-MRXNPFEDSA-N 338.835 1.962 0 40 EDAB O=C(NCCc1nccn1C(F)F)C(=O)Nc1cc(F)ccc1F 69659828 MWKXSPVNSQAPDX-UHFFFAOYSA-N 344.268 1.854 0 40 EDAB Cc1nnc2n1CCN(c1nc(-c3ccncc3)nc3c1CCC3)C2 69659287 CDDQZQGOXAUIRV-UHFFFAOYSA-N 333.399 1.947 0 40 EDAB Cc1cccc(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c1 69663028 CHSOKSMXEXOMCD-MRXNPFEDSA-N 345.443 1.000 0 40 EDAB Cc1ccc(-n2cnnc2SCCNS(C)(=O)=O)cc1Cl 69704234 LMHMZLDOAJYBIQ-UHFFFAOYSA-N 346.865 1.870 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@H]1CCN3CCCC[C@H]13)C2 69843323 GRWQKQCAVUOFCO-HYVNUMGLSA-N 330.428 1.989 0 40 EDAB Cc1nc(C(=O)NS(=O)(=O)N2CCc3ccccc3C2)cs1 69845191 DGZCISSWSVSOKN-UHFFFAOYSA-N 337.426 1.484 0 40 EDAB CC[C@@H]1CN(CC(=O)N(C)c2nccs2)CCN1CCOC 69842203 BPQBFBWSUMBIRH-CYBMUJFWSA-N 326.466 1.149 0 40 EDAB Cc1noc(CCCNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)n1 69874922 LOIJVCMRTZGMIK-LLVKDONJSA-N 340.449 1.374 0 40 EDAB COc1cc(CC(=O)OCCc2cnn(C)c2)cc(OC)c1OC 69967495 UPDDCJGXHJIWHG-UHFFFAOYSA-N 334.372 1.774 0 40 EDAB CC[C@H](COC)NC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1 71915378 XHMZANMVJHZDCE-FQVLRVHISA-N 334.416 1.754 0 40 EDAB COc1ccc(OC)c(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c1 71914452 VRLKZVRKSPUYSD-AWEZNQCLSA-N 348.443 1.935 0 40 EDAB FC(F)(F)c1ccc(-n2nnnc2CN2CCn3ccnc3C2)cc1 97201304 GTTJPXKUJWMTDF-UHFFFAOYSA-N 349.320 1.893 0 40 EDAB Cc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)nn1C 97513398 DIYLJHDDQWIUCR-UHFFFAOYSA-N 328.416 1.565 0 40 EDAB CN(Cc1nnc(C2CC2)o1)[C@H]1CCN(CCN2CCCC2=O)C1 95402397 OQMGTFFTASSSBS-AWEZNQCLSA-N 333.436 1.076 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)c[nH]1 95446799 DIKRFPCRKAOBMW-INIZCTEOSA-N 339.395 1.604 0 40 EDAB C[C@@H]1C(=O)Nc2cccnc2N1S(=O)(=O)c1cc(F)cc(F)c1 95466336 NANVNHXZRAXGRI-MRVPVSSYSA-N 339.323 1.896 0 40 EDAB O=S1(=O)CC[C@@H](N(CCO)Cc2ccc(OCC(F)F)cc2)C1 95453778 OCOUXTQGRJKLLZ-CYBMUJFWSA-N 349.399 1.312 0 40 EDAB CO[C@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2ccncc2)CC1 74758820 JWYHVLMSJVLCTR-IRXDYDNUSA-N 332.448 1.866 0 40 EDAB CC(C)N1CCC[C@@H](CNC(=O)NCCC(=O)NC2CCCC2)C1 75128158 HIRPPKVWUVHVOD-HNNXBMFYSA-N 338.496 1.855 0 40 EDAB Cc1noc([C@H]2CCCN(S(=O)(=O)CC[C@@H]3CCCO3)C2)n1 75110678 BPCUXLLBGVTOJH-STQMWFEESA-N 329.422 1.456 0 40 EDAB C[C@@H](CC(=O)c1ccco1)NC(=O)Cc1ccc(-n2cnnn2)cc1 89894717 HQASGBUBMXAOKC-LBPRGKRZSA-N 339.355 1.576 0 40 EDAB COc1ccc(CCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 75606243 PHVQGGYFNRCAPA-ROUUACIJSA-N 332.444 1.685 0 40 EDAB CCN1CCN(C(=O)c2cn3c4c(cccc4c2=O)CCC3)CC1 22235465 GZHLCIFVQLKVSV-UHFFFAOYSA-N 325.412 1.725 0 40 EDAB O=C(O)[C@H](c1cccc(Br)c1)N1CCn2ncnc2C1 518546694 MXPZXHXROGLHKV-LBPRGKRZSA-N 337.177 1.682 0 40 EDAB CNc1nc([C@H]2CCN(C(=O)C3CCC3)C2)nc2c1CCN(C)C2 72368167 ZGDKLIJGGAMPFT-ZDUSSCGKSA-N 329.448 1.622 0 40 EDAB O=C1CNC(=O)N1CCCC(=O)N1CCCC[C@H]1Cc1ccccc1 78979485 KAEHAHADFSMBJR-INIZCTEOSA-N 343.427 1.942 0 40 EDAB Cc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1 72321070 RLFQGFOJZMAKHF-SJLPKXTDSA-N 340.379 1.796 0 40 EDAB biogenic,in-vitro O=C(NC1CC1)C1CCN(c2ncc(Br)cn2)CC1 67369064 WRBKUZDTJGUDJE-UHFFFAOYSA-N 325.210 1.734 0 40 EDAB COC(=O)c1cc(NC(=O)N2CC[C@@H](O)C2)ccc1Br 181263502 LRFYAOBVBAGTQP-SECBINFHSA-N 343.177 1.834 0 40 EDAB COCc1nc(C)cc(N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)n1 75051545 FUVHIRMQAGKLJB-SNVBAGLBSA-N 332.326 1.531 0 40 EDAB COc1ccc(C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)cc1 36366734 LKCQFWSSMDFEBH-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB CCOC(=O)C1=C(C)N=C(NN)N[C@H]1c1ccc(O)c(OCC)c1 33445667 KAZIDDXGMXBDHY-AWEZNQCLSA-N 334.376 1.092 0 40 EDAB CC(C)[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cnccn1 72324344 LZLCAGPLYDRLCB-ZDUSSCGKSA-N 326.356 1.839 0 40 EDAB COc1ccc2nnc(C(=O)NCc3nc4ccccc4n3C)nc2c1 46088270 KEJBYPFPDLCHHV-UHFFFAOYSA-N 348.366 1.850 0 40 EDAB O=S(=O)(CCOc1ccccc1)NCc1cnn2c1CCCC2 225613199 XPUMYAQLNUDTQG-UHFFFAOYSA-N 335.429 1.718 0 40 EDAB CSc1ncccc1C(=O)N1CCCC[C@H]1c1cc(C(N)=O)[nH]n1 225557510 FHGOUAUQYATXQE-ZDUSSCGKSA-N 345.428 1.993 0 40 EDAB CCOC(=O)CC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 85396747 ZQBZFHBUYVQRDQ-UHFFFAOYSA-N 325.386 1.607 0 40 EDAB CSCC[C@@](C)(O)CNC(=O)C(=O)NCCC1=CCCCC1 77107260 SQLKZMGORXGMSA-MRXNPFEDSA-N 328.478 1.613 0 40 EDAB Cc1nccc(CCC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)n1 573186281 YOXZAESJZHJENU-QGZVFWFLSA-N 338.411 1.807 0 40 EDAB COc1cc(C)c(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)c(C)c1 530143212 JLZAXPOATYUQNJ-TXEJJXNPSA-N 327.402 1.796 0 40 EDAB CC(C)[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 225199707 QGROLBVRFXBUGF-ZDUSSCGKSA-N 327.450 1.460 0 40 EDAB O=C(c1ccccc1)N1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 85436095 NEVSEMZVKDAWDU-MRXNPFEDSA-N 329.400 1.428 0 40 EDAB biogenic,in-vitro Cc1noc([C@H](C)N2CCN(c3ccnc4c3c(C)nn4C)CC2)n1 333899080 YUDNPVISOKLXAB-LBPRGKRZSA-N 341.419 1.851 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 331806541 KMMRUISAGWUSEE-VXGBXAGGSA-N 345.369 1.405 0 40 EDAB CN(C)CCOCc1cncc2c1CCN(C(=O)c1cscn1)C2 96189344 CKKGXPPQAHQNQZ-UHFFFAOYSA-N 346.456 1.815 0 40 EDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1cn2cc(Cl)ccc2n1 96404451 ODDSDOXBCLSYOO-VIFPVBQESA-N 341.820 1.570 0 40 EDAB COc1ncccc1CN1CCOC[C@@]2(CCN(CCN(C)C)C2)C1 96201971 AZXGTBBBODACFL-LJQANCHMSA-N 348.491 1.176 0 40 EDAB Cc1[nH]cc(C(=O)Nc2c[nH]c(=O)c(C)c2)c(=O)c1Br 96500661 GPTJODVDNAZJJW-UHFFFAOYSA-N 338.161 1.695 0 40 EDAB CN(C)C(=O)N1Cc2nnn(C)c2[C@H](COCc2cccnc2)C1 96045491 SPBGEFSOTADQSN-ZDUSSCGKSA-N 330.392 1.008 0 40 EDAB Cn1ccnc1CN1CC[C@]2(COCCN(Cc3cccnc3)C2)C1 96202074 JCSHTVOMUKFDLO-IBGZPJMESA-N 341.459 1.540 0 40 EDAB CNS(=O)(=O)[C@H]1CCN(C(=O)NC2CCC(C(F)F)CC2)C1 582950168 XRSAGAHARJJWDU-ILDUYXDCSA-N 339.408 1.143 0 40 EDAB COC[C@H](NC(=O)c1ccnc(-n2cncn2)c1)c1ccc(C)o1 96445129 BOMOTLBZRVYOKX-ZDUSSCGKSA-N 327.344 1.681 0 40 EDAB CN(C)S(=O)(=O)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 96215854 XVVFBDPKUAYJTM-CVEARBPZSA-N 339.461 1.507 0 40 EDAB O=S(=O)(NC[C@@H](O)C1CC1)c1cc(F)ccc1Br 96483670 RPGLGSOXQCZQED-SNVBAGLBSA-N 338.198 1.637 0 40 EDAB C[C@H](Cc1ccncc1)NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O 332800756 WRNQCXDBECSVRD-MYZZLAAOSA-N 347.459 1.974 0 40 EDAB CO[C@H]1CCCN(S(=O)(=O)c2cccnc2OCC(F)F)C1 583651859 UHXZGUNMHVGHCJ-JTQLQIEISA-N 336.360 1.525 0 40 EDAB COCCC1(C(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)CC1 583618999 SBFALOWZWQIDFA-QGZVFWFLSA-N 336.436 1.486 0 40 EDAB c1cnn(C[C@@H]2CC[C@@]3(COCCN(Cc4nccs4)C3)O2)c1 96160325 OLCIZIKGOPPHPB-GOEBONIOSA-N 334.445 1.790 0 40 EDAB O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 230212824 QFQRNYWILJWZGQ-HZPDHXFCSA-N 342.395 1.348 0 40 EDAB CC(C)CNC(=O)[C@H]1C[C@@H]2CN(C(=O)NCc3ccccc3)C[C@H]1O2 96083592 DYQWKXOCMAQWMQ-IXDOHACOSA-N 345.443 1.758 0 40 EDAB Cn1cccc1C(=O)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 248119826 JRFBWDFFYPAVIT-AWEZNQCLSA-N 327.384 1.873 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 247323695 MQKRIVQADQUBQI-CYBMUJFWSA-N 338.429 1.434 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]21 585136659 OQYJZDZPAQRIOD-CKYFFXLPSA-N 338.383 1.924 0 40 EDAB C[C@@](O)(CNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1)C1CC1 585122124 ODKCMLNMSYVLQH-CQSZACIVSA-N 346.214 1.395 0 40 EDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)CC3CCOCC3)C[C@@H]21 257212476 CDPRXNGHKPBFSQ-IXDOHACOSA-N 344.459 1.967 0 40 EDAB O=C(c1ccncn1)N1CCOC[C@H](Cc2nccn3cccc23)C1 257298180 RKNBGBBODQBZNR-CQSZACIVSA-N 337.383 1.456 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2cccc(F)c2)n1 257203379 APTBZXALZNUDEO-CYBMUJFWSA-N 325.365 1.619 0 40 EDAB CCn1cc(C(=O)N(C)C[C@@]2(O)CCN(c3ccc(F)cn3)C2)cn1 257283250 OXLPJIHYXKJOGK-KRWDZBQOSA-N 347.394 1.151 0 40 EDAB CN(c1ccncn1)C1CC2(CCN(C(=O)[C@H]3CCCCO3)C2)C1 257259788 KZZUFBAZBPCZRC-SWKXRBFHSA-N 330.432 1.863 0 40 EDAB CCn1cc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)cn1 257214639 CMSHEBFHOAXQMQ-HNNXBMFYSA-N 329.404 1.475 0 40 EDAB COc1cccc2cc(C(=O)N3CC[C@H](N4C(=O)CNC4=O)C3)oc12 253407741 WRVVFTFYUMAQHI-NSHDSACASA-N 343.339 1.208 0 40 EDAB Cc1csc(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)c1 257320594 VXMNJBMPPZMATG-MRXNPFEDSA-N 332.429 1.608 0 40 EDAB Cc1cnc(C(=O)N2CCC[C@@H](c3ccc4c(N)n[nH]c4n3)C2)cn1 257343503 ZTHGHVSJOAYJGK-LLVKDONJSA-N 337.387 1.658 0 40 EDAB CCN(CCO)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccccc1OC 257324958 WQXPSODSIZBSOP-QAPCUYQASA-N 348.443 1.836 0 40 EDAB Cc1ncsc1C(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257295106 QWZLHCGIHLVGSH-QGZVFWFLSA-N 346.456 1.950 0 40 EDAB CN(C)C(=O)c1cnc(N2CCC(Cn3cncn3)CC2)c(Cl)c1 275065513 XNYNCQXAKSEPNU-UHFFFAOYSA-N 348.838 1.945 0 40 EDAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC([C@H](O)C(=O)O)CC1 1607947945 DQYKOAHYPWIGTQ-LBPRGKRZSA-N 346.305 1.707 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)NCc1cc(C)cnc1O 1615555247 OWNKVNYTYAEDNW-GOSISDBHSA-N 327.384 1.521 0 40 EDAB Cc1ccncc1C(=O)N1[C@H](C(=O)N2CCCC2)C[C@@H]2OCC[C@@H]21 1615549012 PUDSMDPHYMYPEF-JYJNAYRXSA-N 329.400 1.384 0 40 EDAB CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2Br)NC1=O 1615544943 CCNBCFDQHIBVAI-NWDGAFQWSA-N 325.206 1.631 0 40 EDAB CC(C)C[C@H](C(=O)N1CCOCC1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100972098 JMPKMGUKLHYPQY-QMHWVQJVSA-N 346.427 1.067 0 40 EDAB O=C([C@H]1CCOC1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575404470 CUOLQARVEUCYHC-GOEBONIOSA-N 327.384 1.709 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575406157 XAGQVONMUFCYSJ-LBPRGKRZSA-N 328.397 1.651 0 40 EDAB Cc1ccc(OC[C@@]2(O)CCN(CC(=O)N3CCCCC3)C2)cc1 585269448 UWLFHIINEGWTBQ-LJQANCHMSA-N 332.444 1.823 0 40 EDAB CN(Cc1ccccc1OC1CCCC1)C[C@@H]1COC[C@@H](O)[C@H]1O 585291943 TUBPQQHSYRGGBQ-SUMDDJOVSA-N 335.444 1.808 0 40 EDAB CNC(=O)[C@H]1COC2(CN(Cc3cccc(C)c3)C2)CN1CC1CC1 585109482 SZQLKLNUVLPING-GOSISDBHSA-N 343.471 1.406 0 40 EDAB COCC[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2cccn2C1 585095046 BCUDNAOESIMXMO-ZDUSSCGKSA-N 338.433 1.079 0 40 EDAB Cn1ncc2c(=O)ccn(Cc3ccc(OCC(F)(F)F)nn3)c21 585091244 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CC(C)n1nnc(CC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)n1 19462177 OIYBGOOILMRQLW-VIFPVBQESA-N 330.348 1.155 0 40 EDAB CCn1ncc(-c2cc(C(=O)NC[C@H](C)N3CCOCC3)no2)c1C 19524049 ABQUKJKGQAUGLH-LBPRGKRZSA-N 347.419 1.317 0 40 EDAB Cn1cc(CN2CCC3(CC2)CN(S(C)(=O)=O)C(C)(C)C3)cn1 643914438 REGGWFDGGHVQQO-UHFFFAOYSA-N 340.493 1.446 0 40 EDAB CCc1ccccc1S(=O)(=O)N1CCC[C@H](N2CCOCC2)C1 585114771 YFFXOQCNPFBRGQ-INIZCTEOSA-N 338.473 1.734 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nc2ncccn2n1 10074279 LIOYHDNQSNZHTI-GHMZBOCLSA-N 348.432 1.621 0 40 EDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc(F)cc1 5871170 CFNYGTJTUWFPHG-UHFFFAOYSA-N 340.310 1.999 0 40 EDAB CCc1ncnc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1F 1888847477 IFNYJAXIFVPCMA-CHWSQXEVSA-N 340.358 1.804 0 40 EDAB Cc1cnc(N(C)[C@@H]2CCCN(Cc3ccn(C)c(=O)c3)C2)nc1 1888854123 WZWUYZMCDRJUNZ-MRXNPFEDSA-N 327.432 1.585 0 40 EDAB CS(=O)(=O)N1CC[C@@H](COc2ccc(-c3ccccc3)nn2)C1 1888878953 NDYMBPGHDDUITK-CYBMUJFWSA-N 333.413 1.804 0 40 EDAB O=C1[C@@H]2CN(c3ccn4nccc4n3)C[C@H]2C(=O)N1Cc1ccccc1 1888888307 CYBFLJINSDABLK-HUUCEWRRSA-N 347.378 1.351 0 40 EDAB O=C(NCC(=O)N1CC(N2C[C@H]3CCC[C@H]3C2)C1)c1ccccc1 1888928887 YIAPPLXJCMZXFC-IYBDPMFKSA-N 327.428 1.359 0 40 EDAB CS(=O)(=O)N(CC(=O)NC1CC1)c1cccc(Br)c1 20236949 XCMGRIYBCMCTOL-UHFFFAOYSA-N 347.234 1.494 0 40 EDAB COCCCN1CC[C@@H]2CN(C(=O)c3cc(C)nn3C)C[C@@H]2CC1 2056223753 DIBCCVFUDVLEIT-IYBDPMFKSA-N 334.464 1.549 0 40 EDAB OC[C@H]1CO[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 227272 NKUOWQPBYUKRIM-GXFFZTMASA-N 330.171 1.846 0 40 EDAB Cc1c(CN[C@@H]2CCc3onc(C(=O)NC(C)C)c3C2)cnn1C 2055745554 JISICZYGUBYELL-CYBMUJFWSA-N 331.420 1.502 0 40 EDAB CC(C)(C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713822 OYZOVTOTMYPZQQ-CYBMUJFWSA-N 332.448 1.844 0 40 EDAB COC(=O)C12C[C@H]3C[C@@H](CC(NC(=O)c4ccc[nH]c4=O)(C3)C1)C2 101415398 AYYAASOVTADQMU-SKLAPFLYSA-N 330.384 1.617 0 40 EDAB O=S(=O)(c1cccnc1)N1CC[C@H](N2CCc3ccccc3C2)C1 225687935 PFUJLQUGELDSEN-KRWDZBQOSA-N 343.452 1.903 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccncn3)C2)s1 575611539 ZXFCIPDFXWRFNX-LLVKDONJSA-N 325.415 1.689 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](Oc2ccncn2)C1 575608622 GWCUWGQQZWTGCS-ZDUSSCGKSA-N 327.340 1.889 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)CSc1cc(C)[nH]c(=O)n1 4314651 IHKWLYQPVKIBDA-UHFFFAOYSA-N 347.396 1.986 0 40 EDAB COc1ccc(NC(=O)CSc2nnc(C[C@@H](C)O)n2C)cc1 20436809 QESVMVXZZDZVHE-SNVBAGLBSA-N 336.417 1.478 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 20275188 JCEFJLNEZUGYHY-UHFFFAOYSA-N 328.459 1.344 0 40 EDAB CCc1cccc(OCC(=O)NC2CCN(S(C)(=O)=O)CC2)c1 40497279 VDOJELSNWMUANG-UHFFFAOYSA-N 340.445 1.168 0 40 EDAB CC(C)(CNC(=O)CCc1nc2ccccc2[nH]1)N1CCOCC1 40472986 LZIHCPTZDBFDQT-UHFFFAOYSA-N 330.432 1.723 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Cn2ccc3ccccc32)CC1 52053428 YAISTYKRVHNTBD-UHFFFAOYSA-N 335.429 1.135 0 40 EDAB COc1ccccc1N1C[C@H](C(=O)NCCc2ccccn2)CC1=O 32657333 HRDZSZQAUICFQB-CQSZACIVSA-N 339.395 1.802 0 40 EDAB CC(=O)Nc1nc(CN2C(=O)c3ccccc3S2(=O)=O)cs1 32906883 NLQFUMUEMFWSHJ-UHFFFAOYSA-N 337.382 1.446 0 40 EDAB CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)S(C)(=O)=O)c1 32926737 IUCQITHMWJUEKN-NSHDSACASA-N 326.418 1.540 0 40 EDAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NCC1(C(N)=O)CCOCC1 52745097 GUWTWIFXTDQEHT-UHFFFAOYSA-N 348.447 1.527 0 40 EDAB CCCOc1ccc(N2C(=O)C[C@H](NC3CCOCC3)C2=O)cc1 102779162 DIBPXBWYHZBCOW-INIZCTEOSA-N 332.400 1.876 0 40 EDAB COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(C)cc1 200264 QYLMZOSCRKUEBH-LLDVTBCESA-N 334.368 1.381 0 40 EDAB CC1CCN(CCNC(=O)C2CCN(C(=O)c3ccoc3)CC2)CC1 46955907 NYFUBLAQSPSGQE-UHFFFAOYSA-N 347.459 1.980 0 40 EDAB COC(=O)NC(C)(C)C(=O)N1CCN(c2cccc(Cl)n2)CC1 69744482 MZIPHVVWTSVWAK-UHFFFAOYSA-N 340.811 1.518 0 40 EDAB O=C(NCCCO)c1cccc(S(=O)(=O)NCc2ccccc2)c1 78705940 NQLRERRBCLGFMQ-UHFFFAOYSA-N 348.424 1.277 0 40 EDAB Cc1ccccc1CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 79094556 LJXVMIUJJKXJCT-INIZCTEOSA-N 342.399 1.625 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2c(C)nn(C)c2C)CCN1CCOC 69738089 ILSNTSGZBHUNIR-OAHLLOKOSA-N 337.468 1.018 0 40 EDAB COc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 3072956 ZDUZOZRUMYJOMY-UHFFFAOYSA-N 328.324 1.679 0 40 EDAB CCCCN(CC(N)=O)C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O 53503175 QAEIDYUAHNVJRA-AWEZNQCLSA-N 335.379 1.293 0 40 EDAB O=C(COC(=O)Cn1nnc(-c2ccccc2)n1)NC1CCCCC1 3306083 XWNKFWMXSQYQHJ-UHFFFAOYSA-N 343.387 1.332 0 40 EDAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(=O)[nH]c1 22749035 GNZRROSGQKIZHV-INIZCTEOSA-N 327.384 1.178 0 40 EDAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)N1CCCC1 4853597 BZRLFWNCWUVGLX-UHFFFAOYSA-N 343.405 1.652 0 40 EDAB O=C(OCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)C1CC1 6057833 UDLHYTBLCYAMEZ-AWEZNQCLSA-N 337.397 1.160 0 40 EDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 7375759 GPQUNKVVSYBKOZ-AWEZNQCLSA-N 339.413 1.853 0 40 EDAB Nc1nccnc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 10402944 OHSWCOAWOYCJEQ-UHFFFAOYSA-N 325.372 1.093 0 40 EDAB CCOc1ccc(N2C(=O)C[C@@H](N3C[C@@H](C)O[C@H](C)C3)C2=O)cc1 33932256 RRKNXTICRCMJAJ-XJKCOSOUSA-N 332.400 1.826 0 40 EDAB CC(C)n1cnnc1SCC(=O)NC[C@@H]1COc2ccccc2O1 42981677 TVIOQQVILZXQFJ-GFCCVEGCSA-N 348.428 1.907 0 40 EDAB CC[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)N1CCCC1 24796751 GXIZPHPAHOPLQC-AWEZNQCLSA-N 328.416 1.387 0 40 EDAB CN(C)c1nc(N)nc(CN2CCC(Cc3ccccc3)CC2)n1 9112730 VBTIREIYLDKIMS-UHFFFAOYSA-N 326.448 1.975 0 40 EDAB O=C(CN1CCN(c2ccccn2)CC1)NC(=O)NC1CCCCC1 25461623 WYKQPDWSUNJGSH-UHFFFAOYSA-N 345.447 1.362 0 40 EDAB NC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(O)cc2O)cc1 25984045 JMCBVVPYEIFFDJ-UHFFFAOYSA-N 330.296 1.628 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)c1ccc2c(c1)CCO2 26235549 UXNCVSAPKBSOOJ-INIZCTEOSA-N 332.381 1.232 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)[C@H]3CCC(=O)NC3)c2O1 48172429 KEQKCHDOOBHROH-ZDUSSCGKSA-N 332.400 1.421 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)NCCCCN1CCOCC1 48285972 DWIDSCPQIHETTR-UHFFFAOYSA-N 334.416 1.229 0 40 EDAB COCCOC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O 1785064 LGJMQELLYNZEIC-UHFFFAOYSA-N 345.380 1.710 0 40 EDAB COc1ccc(-c2noc(-c3cccn3CC(N)=O)n2)cc1OC 57487174 JXVKYUDNDJFYTL-UHFFFAOYSA-N 328.328 1.708 0 40 EDAB C[C@H](CNS(=O)(=O)c1c(F)cccc1F)CN1CCCC1=O 57986469 AWIHNOACKNLDEN-SNVBAGLBSA-N 332.372 1.502 0 40 EDAB O=C(COC(=O)c1cncn1-c1ccccc1)NC(=O)c1ccco1 84576776 XDBKLUSHRYQWLX-UHFFFAOYSA-N 339.307 1.579 0 40 EDAB CNC(=O)Cn1cc(NC(=O)CN[C@H]2CCCC[C@@H]2C(C)(C)C)cn1 95394083 YLOGDGGJLDRORN-GJZGRUSLSA-N 349.479 1.762 0 40 EDAB O[C@@H](COc1ccc(F)cc1)CN1CCN(c2nccs2)CC1 44894436 QUNYOZNXYKDKBC-CQSZACIVSA-N 337.420 1.844 0 40 EDAB CCS(=O)(=O)N1CCC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 107730645 OKUWTSOFSQATDM-HUUCEWRRSA-N 326.418 1.434 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1nnc2ccccn12 44948130 SMFUISKNYZLPPR-RYUDHWBXSA-N 336.417 1.198 0 40 EDAB O=C(/C=C/c1cccc2cccnc12)NCCN1CCCS1(=O)=O 58427872 PCRCHCBMNIQOQK-BQYQJAHWSA-N 345.424 1.400 0 40 EDAB Cc1nc(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)cs1 45344258 GIMGEGUREKLNLF-LBPRGKRZSA-N 332.433 1.710 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F 12814738 OKKYSEUSGVSQFA-OAHLLOKOSA-N 348.399 1.687 0 40 EDAB 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CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(C[C@H](C)O)CC1 69975503 HHJRSJFOKWPUMA-WMZOPIPTSA-N 333.476 1.595 0 40 EDAB NC(=O)C1CCN(C(=O)c2ccc(F)cc2Br)CC1 13007037 YURWMZVMORFKJQ-UHFFFAOYSA-N 329.169 1.926 0 40 EDAB Cn1cnc(CNC(=O)N2CCC(Nc3ccccc3F)CC2)n1 92377237 BLCMLSBKRFSYCM-UHFFFAOYSA-N 332.383 1.740 0 40 EDAB CN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)N(C)C1=S 409031095 ITVHZEKMHZWBAY-POHAHGRESA-N 340.788 1.833 0 40 EDAB Cc1cc(C)n(CCCNC(=O)Cn2cnc3ccccc3c2=O)n1 6083371 RAUXMCHBFHKCQD-UHFFFAOYSA-N 339.399 1.416 0 40 EDAB CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(N)=O 8785418 LETXCWWPZUBSQA-UHFFFAOYSA-N 347.444 1.673 0 40 EDAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C(C)=O)cc1)C(=O)N2 13722128 CCOHCPNMJWESGO-LBPRGKRZSA-N 327.344 1.565 0 40 EDAB NS(=O)(=O)c1ccc(O)c(NC(=O)Cc2noc3ccccc23)c1 65622020 ONAJTRCMGNKHNV-UHFFFAOYSA-N 347.352 1.362 0 40 EDAB CC(C)c1nnc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 14236998 OEDYFKHOTIXESS-GHMZBOCLSA-N 348.428 1.941 0 40 EDAB O=c1/c(=C/c2ccco2)sc2n1CN(c1ccc(F)c(F)c1)CN=2 6672439 NUBMKTBBLAHXTB-AUWJEWJLSA-N 347.346 1.665 0 40 EDAB CC(C)CN(C(=O)Cn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 14737633 XBUAJDHZJXSCQO-CQSZACIVSA-N 349.456 1.708 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(-c2ccco2)[nH]c1=O 66369053 PWNKKUXCJJDDBF-JTQLQIEISA-N 338.385 1.140 0 40 EDAB CN1C(=O)N(C)[C@]2(c3ccccc3)NNC(=O)N[C@@]12c1ccccc1 4863115 BZMQSOMCHOSZCM-ROUUACIJSA-N 337.383 1.507 0 40 EDAB CC(C)OCCCNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 6938146 ZMXYYHKFUQYNDN-GOSISDBHSA-N 347.415 1.385 0 40 EDAB COc1ccc2nnc(CCC(=O)Nc3ccccc3OC)n2n1 71284325 YCGIBOOGYBJNCT-UHFFFAOYSA-N 327.344 1.713 0 40 EDAB Cn1nnnc1SCC(=O)NCCc1ccccc1OC(F)F 9113078 NZKNUSRZKWCKTL-UHFFFAOYSA-N 343.359 1.263 0 40 EDAB O=C(N[C@@H](c1nccs1)C1CC1)N1CCN(c2ncccn2)CC1 80456135 IFCGTHAMVZPHNF-CYBMUJFWSA-N 344.444 1.916 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)no1 67887398 JRMOHUYGFXEWTB-RYUDHWBXSA-N 332.404 1.349 0 40 EDAB O=C(CN1CCCN(c2nc(C3CC3)ns2)CC1)N1CCCC1 80769343 PZGUTHLXXZEEOO-UHFFFAOYSA-N 335.477 1.550 0 40 EDAB CCCS(=O)(=O)N[C@H]1CN(c2ncccc2F)C[C@@H]1C1CC1 91350637 FVAGTDYOFKHVCU-OCCSQVGLSA-N 327.425 1.765 0 40 EDAB O=C(CN1CCCC[C@H]1C1OCCO1)NC(=O)Nc1ccccc1 69232374 WPXKVXITRXDANL-AWEZNQCLSA-N 333.388 1.562 0 40 EDAB CCCN1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC)CC1 69393186 GYAACOJWMJORIU-QGZVFWFLSA-N 347.459 1.944 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H](OC1CCCC1)c1ccccc1 69369757 HLKVKBGCJCGEMD-GDBMZVCRSA-N 337.441 1.990 0 40 EDAB Cn1c(CN2CCCC[C@H]2Cc2ccccc2)cc(=O)n(C)c1=O 69441478 DIKCMZSQKRZFQV-INIZCTEOSA-N 327.428 1.681 0 40 EDAB CN(Cc1ccccc1)C[C@H](O)Cn1nc(-c2ccccc2)oc1=O 69598779 NFVRYJPZIRAZAZ-KRWDZBQOSA-N 339.395 1.996 0 40 EDAB C[C@H]1CN(Cc2cccc(OCC(N)=O)c2)CCN1c1nccs1 95351862 POQNKGYIBBMLAV-ZDUSSCGKSA-N 346.456 1.718 0 40 EDAB O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCS(=O)(=O)CC1 96415573 COOWRMOJNHICEV-HZPDHXFCSA-N 336.457 1.838 0 40 EDAB C[C@H]1C(=O)N(CCS(C)(=O)=O)C(=O)N1c1ccc(Cl)cc1 71813628 QVTQRHHMHLVHCZ-VIFPVBQESA-N 330.793 1.542 0 40 EDAB Cc1nccn1[C@H]1CCCN(C(=O)c2ccccc2-n2cnnn2)C1 71870584 VMSIOLYPXSVLAD-AWEZNQCLSA-N 337.387 1.645 0 40 EDAB Cc1csc2nc(CN3CCC[C@H](N4CCNC4=O)C3)cc(=O)n12 71841154 QSTSSVPRKICWFG-ZDUSSCGKSA-N 347.444 1.054 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 95447249 ZHGUOBRCTOMNRQ-ZANVPECISA-N 341.774 1.492 0 40 EDAB Cn1ccc(C(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)cc1=O 95408099 RSESQMSITIBNFJ-MRXNPFEDSA-N 333.775 1.169 0 40 EDAB CCOC(=O)[C@H](C)OC(=O)Cn1cc(Br)ccc1=O 97010683 AXTWBJDBXUQLQZ-QMMMGPOBSA-N 332.150 1.106 0 40 EDAB CO[C@@]1(C)C[C@@H](NC(=O)N(C)CCCN2CCN(C)CC2)C1(C)C 97049446 VRXLAEBSKRGZJU-QAPCUYQASA-N 340.512 1.469 0 40 EDAB CCNC(=O)Cn1ccc(NC(=O)NCc2ccc(Cl)cc2)n1 72273522 CGVLBYAQPCWICG-UHFFFAOYSA-N 335.795 1.994 0 40 EDAB Cc1cnc(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cn1 84258175 RSPATMJYVMUIIZ-QZTJIDSGSA-N 338.411 1.510 0 40 EDAB O=C(NC1CCN(C[C@@H](O)C(F)(F)F)CC1)c1ccccc1F 97141583 NHMQPCAAOQFJQR-CYBMUJFWSA-N 334.313 1.943 0 40 EDAB C[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)n1cncn1 95978419 UKLIYRKXSXJYKD-WKPIXPDZSA-N 335.358 1.679 0 40 EDAB Cc1ccc(C)n1CC(=O)OCC(=O)N1CCC2(CC1)OCCO2 61754643 ULWQKPZEPNPBKX-UHFFFAOYSA-N 336.388 1.014 0 40 EDAB Cc1cccc(-c2ccc(C(=O)NCCN3CCOCC3)c(=O)[nH]2)c1 75117435 BGTVPMCSTRFSTE-UHFFFAOYSA-N 341.411 1.412 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2cc(C)no2)C1 89606888 NUTQIGJGJAMMMA-CQSZACIVSA-N 345.403 1.866 0 40 EDAB CN(Cc1cccn1C)C(=O)NCC(=O)N1CCc2sccc2C1 89756740 OATBFIFIUIREKY-UHFFFAOYSA-N 346.456 1.813 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(c3ncccn3)C2)no1 76043088 FTJVZRDSLBBWOC-KGLIPLIRSA-N 342.403 1.748 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 20447695 SQSAAGAQOKEBDJ-UHFFFAOYSA-N 348.380 1.286 0 40 EDAB Cc1ncn(-c2ccc(NC(=O)[C@@H]3CN4CCN3C[C@@H]4C)cc2)c1C 1548707645 HGJRYXIAOHBCDR-UGSOOPFHSA-N 339.443 1.816 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)c1cccnc1)Oc1ccc(F)cc1 547884682 LMYUWXLSCFZMHJ-ZDUSSCGKSA-N 340.332 1.031 0 40 EDAB O=C(O)c1cccc(CNS(=O)(=O)c2cnn(CC(F)F)c2)c1 516639959 QUQOUQJVTFDDHW-UHFFFAOYSA-N 345.327 1.325 0 40 EDAB COc1ccc2[nH]cc(CC(=O)N(CC(=O)O)C3CCOCC3)c2c1 532601949 GEVABRVXBXNXBD-UHFFFAOYSA-N 346.383 1.811 0 40 EDAB CNC(=O)NC(=O)CSc1nc(C)c(C)n1C[C@H]1CCCO1 36874592 OWAADPBDGHJLHO-LLVKDONJSA-N 326.422 1.227 0 40 EDAB NC[C@]1(N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218156962 MHPHAHDETPUDMN-IKGGRYGDSA-N 346.408 1.011 0 40 EDAB Cc1nnc2ccc(N3CCC[C@H](C(=O)NC4CCCC4)C3)nn12 32093313 ZKIDOIBRPPBWLT-ZDUSSCGKSA-N 328.420 1.708 0 40 EDAB Cc1cnc(C[C@H]2COCCN(C(=O)c3scnc3C)C2)cn1 72388269 VBYMYJSMMHMTOM-CYBMUJFWSA-N 332.429 1.881 0 40 EDAB C[C@@]1(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1(Cl)Cl 78986975 IMZDAQUWOJGFNS-RCOVLWMOSA-N 333.137 1.850 0 40 EDAB CN(CC1CCN(C(=O)[C@@H]2CC23CCOCC3)CC1)c1ncccn1 1062218700 JGDRVXJHTCYUDT-INIZCTEOSA-N 344.459 1.968 0 40 EDAB O=S(=O)(C1CC1)N1CCCN(Cc2ccc(F)c(F)c2)CC1 374831010 VSMBDOSYDJEGDX-UHFFFAOYSA-N 330.400 1.965 0 40 EDAB COCCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2C 71195964 PGHARDNSEOIJKO-UHFFFAOYSA-N 340.445 1.564 0 40 EDAB O=C(NCCCc1nc(-c2ccc(F)cc2)no1)N1CC[C@@H](CO)C1 195560284 CNBASEYYDXEJOB-GFCCVEGCSA-N 348.378 1.832 0 40 EDAB Cc1cc2c(cc1S(=O)(=O)NCc1ccccc1)oc(=O)n2C 223332092 GAGGWNWULSCUPB-UHFFFAOYSA-N 332.381 1.918 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H]1Cc2ccccc2[C@H]1O 195286612 QDLGUPNALGCKSS-RHSMWYFYSA-N 333.409 1.940 0 40 EDAB O=C(N1CC[C@](O)(c2cnn[nH]2)C1)C1(Cc2ccccc2F)CC1 583618833 QBLULRBHCNHZPU-QGZVFWFLSA-N 330.363 1.387 0 40 EDAB COCCn1ccc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc21 95475403 QMGVZPSSJGJOII-CQSZACIVSA-N 336.413 1.205 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(CC4CCOCC4)C[C@@H]3C2=O)cs1 96245097 QJDHDIMZZISUCA-HOCLYGCPSA-N 335.473 1.768 0 40 EDAB O=C(NC1CCCCC1)N1C[C@@H]2OCCN(C(=O)c3ccco3)[C@@H]2C1 96248751 DYHOLCNKFSRJDE-ZBFHGGJFSA-N 347.415 1.847 0 40 EDAB c1ccc(CN2CCC[C@]3(COCCN(c4cncnc4)C3)C2)nc1 96049538 DWCWWXDARKJUSN-IBGZPJMESA-N 339.443 1.991 0 40 EDAB COc1cc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cscn2)ncn1 97953297 MMAHLTZUMALZBW-NWDGAFQWSA-N 331.401 1.435 0 40 EDAB O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCC(F)(F)F 96418211 XGMJXKPMJAWNHK-UHFFFAOYSA-N 331.262 1.904 0 40 EDAB O=C(c1ccncc1F)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 618255552 FFMJYQADHMHPSD-UHFFFAOYSA-N 346.362 1.252 0 40 EDAB O=C(NCCc1n[nH]c(-c2ccco2)n1)c1ccccc1-n1ccnn1 97372648 SUDBJJFYYGAAHK-UHFFFAOYSA-N 349.354 1.618 0 40 EDAB Cc1ccc2oc(C(=O)N3Cc4nnc(C)n4C[C@H]3C(=O)O)cc2n1 579958530 IMNBOJSKOKZVOW-NSHDSACASA-N 341.327 1.145 0 40 EDAB CC1=N[C@@]2(CC[C@@H]3CN(c4ccncn4)C[C@@H]32)C(=O)N1CC1CC1 96261482 MDYSLSVFEWBDFL-RVKKMQEKSA-N 325.416 1.732 0 40 EDAB CCSc1ccccc1C(=O)NC[C@@H](O)Cn1ccccc1=O 96124360 MSMIKTREMSQJLS-CYBMUJFWSA-N 332.425 1.751 0 40 EDAB C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@H]1C(N)=O 96426397 NVMIUMBSOITEQS-CABZTGNLSA-N 341.205 1.693 0 40 EDAB O=C1C[C@]2(CCN(S(=O)(=O)C3CC3)C2)CN1c1ccc(F)cc1 96238765 FHWVJQZVCMDVJV-INIZCTEOSA-N 338.404 1.747 0 40 EDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(N)C(=O)O)cc1 242543534 KEDYNGYMYLNWCZ-INMHGKMJSA-N 347.392 1.417 0 40 EDAB Cc1nc(C(=O)NCCN2Cc3cc(F)ccc3OCC2=O)cs1 245070542 QOIIKOLLPGVQJJ-UHFFFAOYSA-N 349.387 1.742 0 40 EDAB C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1nc2ccc(Cl)cc2[nH]1 584906849 VQEIUEVVNYSTBA-IUCAKERBSA-N 341.820 1.828 0 40 EDAB Cc1nc(CN2CCN(CCC(=O)Nc3cccc(F)c3)CC2)n[nH]1 584906947 KBADXEUQIAMBHR-UHFFFAOYSA-N 346.410 1.399 0 40 EDAB CN1CCN(C(=O)CN(C)C(=O)c2cc(F)c(F)cc2Cl)CC1 584907894 QJCSGVKGAPGJKH-UHFFFAOYSA-N 345.777 1.464 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cc2cccc(F)c2)nc1 257337766 YUGVNRAMJZFROV-INIZCTEOSA-N 348.399 1.728 0 40 EDAB COC(=O)c1cc(NC(=O)N[C@H]2CCc3ncnn3C2)c(C)s1 585119913 ZTUYRZQKSLSQAP-VIFPVBQESA-N 335.389 1.571 0 40 EDAB CNC(=O)[C@@H]1CN(C[C@H](C(=O)OC(C)(C)C)c2ccccc2)CCO1 585133394 GYBYBEBHAHFDIF-HOTGVXAUSA-N 348.443 1.559 0 40 EDAB NC(=O)c1cnn2c([C@@H]3CCCN(Cc4cccnc4)C3)ccnc12 257232885 GMVUILBCNDWKJW-CQSZACIVSA-N 336.399 1.603 0 40 EDAB Cc1cccnc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O 257265446 LYRUDEQZTMTKDD-JHNDHUHGSA-N 328.368 1.062 0 40 EDAB Cc1ccc(C(=O)NCCn2nnc3ccc(F)cc3c2=O)s1 253403730 QJMDTFRCSOQZKI-UHFFFAOYSA-N 332.360 1.731 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C)n1cnnn1 1614476978 BGULSXIRPKNCSY-SMDDNHRTSA-N 325.376 1.485 0 40 EDAB CC1(C)NC(=O)N(CCCOc2ccc([S@@](C)(=N)=O)cc2)C1=O 1615587241 CONFHFYMFFYAKP-QHCPKHFHSA-N 339.417 1.821 0 40 EDAB C[C@H](NC[C@](C)(O)C1CC1)[C@@H]1COCCN1C(=O)OC(C)(C)C 1615614452 GVDAXLISTDDMKZ-JDFRZJQESA-N 328.453 1.761 0 40 EDAB C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)Nc1nccn2nnnc12 1615615249 NGYFKWGIBNQLPU-SNVBAGLBSA-N 333.396 1.577 0 40 EDAB CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H](O)[C@H]1COC(C)(C)O1 1615606497 ZLYNCUNPDRHVDS-VNHYZAJKSA-N 341.379 1.612 0 40 EDAB CCN(Cc1ccncc1)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 298354515 WZNIYBAUGUJABQ-NWDGAFQWSA-N 329.322 1.887 0 40 EDAB O=C1CCCN1C[C@@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1 575406071 VEFNNIYREQUVOX-AWEZNQCLSA-N 344.411 1.636 0 40 EDAB COc1ccccc1CC(=O)NCCn1ccc2ccn(C)c2c1=O 575617735 QTFOPCRIUWTOBW-UHFFFAOYSA-N 339.395 1.708 0 40 EDAB CNc1ncc(CN2CCC[C@H](O)[C@@H]2Cc2ccc(C)cc2)cn1 585278585 UIQNTRZSKVRUOU-ROUUACIJSA-N 326.444 2.395 0 40 EDAB Cc1cccnc1CN1CC2(C[C@H](COCC(=O)N(C)C)CN2C)C1 585093922 PSAKBSPGYLTGPM-INIZCTEOSA-N 346.475 1.001 0 40 EDAB O=C(c1cnc[nH]1)N1CCO[C@@](CO)(Cc2ccc(Cl)cc2)C1 585275855 KIDAIMJISLBHSH-INIZCTEOSA-N 335.791 1.509 0 40 EDAB O=C(CCC(=O)N1CC[C@@]2(CCCO2)C(=O)C1)Nc1nccs1 585288653 GUXAYKVMSVFEQP-HNNXBMFYSA-N 337.401 1.212 0 40 EDAB O=C(Nc1cc2c(cn1)OCCC2)[C@@H]1COCCN1CC(F)F 585140714 IVVMMXXVJKKOLC-NSHDSACASA-N 327.331 1.311 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)CCn1cccc1 585288281 SXXSRTDCARCZLE-HNAYVOBHSA-N 347.459 1.943 0 40 EDAB CNC(=O)C[C@@H]1C[C@H]2CN(C(=O)Cc3cccc(F)c3F)C[C@H]2O1 585109548 WMEWKRLASPUHOK-SGMGOOAPSA-N 338.354 1.259 0 40 EDAB Cc1noc(C)c1CN1CCN([C@H](C(N)=O)c2ccccc2)CC1 43611394 HJMIVBZPQCKKES-KRWDZBQOSA-N 328.416 1.636 0 40 EDAB COc1cccc(CNCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 48783268 QKTDZLPXGYRSPD-KBPBESRZSA-N 342.461 1.224 0 40 EDAB CCCN(C[C@H]1COc2ccccc2O1)C(=O)C1=NN(C)C(=O)CC1 53176987 YWEUZGBUVOPNBU-ZDUSSCGKSA-N 345.399 1.673 0 40 EDAB CC(C)N(CCCNC(=O)CCc1cccs1)S(C)(=O)=O 60591922 SJBSXMFWYPVQKA-UHFFFAOYSA-N 332.491 1.857 0 40 EDAB O=C(CCc1cc(F)ccc1F)NCCn1nc2ccccn2c1=O 57241048 WDGHMGYCROBZKQ-UHFFFAOYSA-N 346.337 1.523 0 40 EDAB Cc1ccccc1CNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 73500175 WPDYANISGFRWEB-HNNXBMFYSA-N 344.459 1.489 0 40 EDAB CN1CC[C@@H](NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)C1=O 73884435 PBWUELWUHJWARE-DGCLKSJQSA-N 329.322 1.227 0 40 EDAB COC(=O)[C@@]1(F)CCN(C(=O)NCCCOCc2ccco2)C1 74804585 SCLSSBOHTNVMFR-OAHLLOKOSA-N 328.340 1.483 0 40 EDAB O=C(NC1CC1)[C@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@]23C=C[C@H]1O3 12892181 FLCFGVFZLXTFLR-WOCWXWTJSA-N 338.407 1.290 0 40 EDAB CCc1c(C)nn(-c2nc(C)cc(C)n2)c1OC(=O)/C=C/C(=O)O 14608438 JEEGZGODTUNEIF-VOTSOKGWSA-N 330.344 1.696 0 40 EDAB Cc1c(O)nc2nnc(SCC(=O)NC3CCCCC3)n2c1C 9829361 YRGCPLUWFILIHC-UHFFFAOYSA-N 335.433 1.988 0 40 EDAB CN(C)C(=O)N1CCC(CNC(=O)[C@H]2COc3ccccc3O2)CC1 390829777 GNZMLYJJUVOJAT-MRXNPFEDSA-N 347.415 1.336 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CCN(C(=O)C3(F)CC3)C[C@@H]2C1 1614936049 XRDFEWKIUKLYAG-KCQAQPDRSA-N 347.390 1.776 0 40 EDAB CCc1cnc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)nc1 2086939612 OSXQJBURCWAOMZ-BETUJISGSA-N 344.394 1.555 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565552161 PRHSHJKFSNJFPD-CPUCHLNUSA-N 332.404 1.075 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H]2COC3(CCCC3)O2)cc1F 10220561 GCRAMTCIMNJZFY-LLVKDONJSA-N 345.392 1.798 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@H](c2ccsc2)n2cccn2)cn1 575613619 IKCYDLWDJXODOC-CYBMUJFWSA-N 337.430 1.246 0 40 EDAB Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1N 5030719 FKTHFVIEVDVNFJ-UHFFFAOYSA-N 346.394 1.853 0 40 EDAB C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)NCCCn1cccn1 30165284 AONZGSVTJCYSPS-BOLDSZDNSA-N 326.400 1.608 0 40 EDAB C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 40105668 QQYHXJALXGNFQX-CYBMUJFWSA-N 340.445 1.468 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCN1CCc2ccccc2C1 30634628 CBCLQGBNMWDUBH-RHSMWYFYSA-N 329.444 1.323 0 40 EDAB O=C(CCN1CCSC1=O)N1CCN(Cc2cccnc2)CC1 40481030 IIJDABLALCEWTA-UHFFFAOYSA-N 334.445 1.285 0 40 EDAB CN(C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)C1CCCCC1 40490358 MFNHPBZFCBJAMA-UHFFFAOYSA-N 342.399 1.824 0 40 EDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)Cc1ccccc1F 40528434 SNUNFPNIVFCMQC-AAEUAGOBSA-N 329.393 1.424 0 40 EDAB CC(C)CNC(=O)CN1C(=O)COc2cc(Br)ccc21 31814065 OQSLLDFJSHTBKC-UHFFFAOYSA-N 341.205 1.947 0 40 EDAB COC(=O)c1ccc(N2CCN(CCOc3ccccc3)CC2)nn1 32916275 LMFVEQRBAPZXGD-UHFFFAOYSA-N 342.399 1.464 0 40 EDAB Cc1c(NC(=O)c2cc3ncccn3n2)c(=O)n(-c2ccccc2)n1C 2796925 FUSPXKTVFQAEMM-UHFFFAOYSA-N 348.366 1.779 0 40 EDAB COc1ccc(CN(C)C(=O)N[C@H](C)c2nncn2C)cc1OC 46963976 DTNMJWIAQDYAQE-LLVKDONJSA-N 333.392 1.735 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)NCCNc1ncccn1 47057386 YXXVFQQZSQYESP-UHFFFAOYSA-N 343.387 1.501 0 40 EDAB O=S1(=O)N=C(NC[C@@H]2COc3ccccc3C2)c2ccccc21 22391486 PMVOGSQDLQTINU-GFCCVEGCSA-N 328.393 1.976 0 40 EDAB CCc1cccc(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1 78457952 GAKPDJYQEDAENR-UHFFFAOYSA-N 327.388 1.863 0 40 EDAB O=C1C[C@@]23c4ccccc4N4C(=O)C[C@@H]5OCC=C6CN1[C@H]2C[C@@H]6[C@@H]5[C@H]43 1707745 XFSGWRONALENOC-WIEULXQHSA-N 348.402 1.619 0 40 EDAB N[C@@H](CSCc1ccc(I)cc1)C(=O)O 2042480 HTQDGUXVWLEMQW-VIFPVBQESA-N 337.182 1.936 0 40 EDAB in-vitro COC(=O)c1cccc(CN2CCN(C(=O)N3CCOCC3)CC2)c1 22548170 JTFOSWWOZWBOQC-UHFFFAOYSA-N 347.415 1.043 0 40 EDAB CCOc1ccccc1-c1noc(CN2CCN(CCO)CC2)n1 22816237 ZRVQFTYLSJIQQX-UHFFFAOYSA-N 332.404 1.245 0 40 EDAB CN(C)CCCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4983952 HEAQVBCEPBQSNY-VKAVYKQESA-N 340.427 1.854 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O 4999863 YHHYAHABLSKVHA-UHFFFAOYSA-N 329.400 1.632 0 40 EDAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)N1CCOCC1 6557493 INCNAZRTTSOGAG-UHFFFAOYSA-N 347.375 1.596 0 40 EDAB CCOc1ccc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1 7918377 CBBGYWLFYYHOMV-CYBMUJFWSA-N 329.443 1.944 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 24051041 COLZIARPAHUYQG-TXEJJXNPSA-N 331.459 1.757 0 40 EDAB COC(=O)c1ccccc1NC(=O)N1CCN(c2cnccn2)CC1 24742585 BQFMXLJICDYYEL-UHFFFAOYSA-N 341.371 1.617 0 40 EDAB CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@@H]1c1ccco1 84456524 PSAJLACHMJKKKO-TZMCWYRMSA-N 341.433 1.118 0 40 EDAB CCSCC[C@H](C)N(C)CC(=O)N[C@H](C)C(=O)N1CCCCC1 107355852 ZINYXDVUZJVLIW-LSDHHAIUSA-N 343.537 1.967 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCNc1ncccn1 57060824 AMMMSXIDAADIKN-LBPRGKRZSA-N 335.408 1.404 0 40 EDAB Cc1ccc(O)c(S(=O)(=O)Nc2ccccc2-n2cnnn2)c1 57118478 DNRQSNWRTWRMIK-UHFFFAOYSA-N 331.357 1.477 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCC[C@H](c3nncn3C)C2)n1 48260694 LTPFDVHQUBWEML-LBPRGKRZSA-N 332.408 1.660 0 40 EDAB CCC(=O)N1CCc2cc(C(=O)NCCNc3cnccn3)ccc21 48288761 MLAQRWGAPQPNGA-UHFFFAOYSA-N 339.399 1.618 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cnc3n(c2=O)CCS3)n1 48288278 BGYUUWMRNYKWRT-SNVBAGLBSA-N 347.444 1.228 0 40 EDAB C[C@H]1COCCN1[C@H](C)CNC(=O)C(C)(C)N(C)C1CCCC1 110700132 NYEIRDXYJUNHIT-CABCVRRESA-N 325.497 1.865 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2ncsc2c1 44358034 ZQMHDWTWTDCDKX-LLVKDONJSA-N 325.415 1.659 0 40 EDAB O=C(O)c1cccc(NCN2C(=O)c3ccccc3S2(=O)=O)c1 27024007 VMZOCRZIUFATOE-UHFFFAOYSA-N 332.337 1.599 0 40 EDAB C[C@@H]1CCCCN1CCNC(=O)C1CCN(c2ncccn2)CC1 44533228 NKDUPQKZEWFEHX-OAHLLOKOSA-N 331.464 1.684 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N2CCN(CCC(=O)O)CC2)c(C)c1 27530809 HPULBKXNPZPSSA-UHFFFAOYSA-N 340.445 1.393 0 40 EDAB CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)c1nc2ccccc2s1 12763774 BDDRXVABZCUCFK-NSHDSACASA-N 339.442 1.683 0 40 EDAB CC[C@H](C)NC(=O)Cn1c(=O)n(CCCOC)c(=O)c2ccccc21 44840955 XFZRTGNYLJSJJL-ZDUSSCGKSA-N 347.415 1.114 0 40 EDAB CCCCn1nnnc1CN1Cc2c(OC)ccc(OC)c2[C@H](O)C1 44889349 MYCGZJVKOQJJCN-CYBMUJFWSA-N 347.419 1.540 0 40 EDAB Cc1ccc([C@@H](CNC(=O)c2nccnc2N)N2CCCC2)cc1 58215306 SKXTVQFLTXOPKE-OAHLLOKOSA-N 325.416 1.934 0 40 EDAB C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NC2CCCC2)C1=O 58289364 ZLPPRNGONCMPLQ-KRWDZBQOSA-N 333.363 1.652 0 40 EDAB COc1ccccc1CNC(=O)c1c(C)oc(C)c1S(N)(=O)=O 44936357 LIZQATUUKZOICQ-UHFFFAOYSA-N 338.385 1.482 0 40 EDAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CCO[C@@H](C)C3)ccc21 10681993 KIYQHAFEFFNSBP-LBPRGKRZSA-N 338.429 1.395 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 2637901 QDFDEXAHWHFNPR-UHFFFAOYSA-N 333.325 1.355 0 40 EDAB COc1ccc(OC)c(N2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)c1 29974345 WCYBBFQVAAUCJE-VIFPVBQESA-N 346.305 1.735 0 40 EDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc3cccnc23)C1=O 13070734 QJGUTKFPNWRWPV-QGZVFWFLSA-N 326.356 1.894 0 40 EDAB O=C(NC[C@@]1(O)CCSC1)C1CCN(C(=O)c2ccccc2)CC1 82975074 SQEHXZIBXXAYMP-SFHVURJKSA-N 348.468 1.523 0 40 EDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cnn(C)c1)CC(O)=N2 71283658 QXYCZOLZWRXKED-RYUDHWBXSA-N 349.416 1.408 0 40 EDAB CCN1CCN([C@@H](C)CNC(=O)N2CCc3sccc3C2)CC1 65563908 ULUXOLPIWSUPMH-AWEZNQCLSA-N 336.505 1.842 0 40 EDAB O=C(NCCCc1n[nH]c(=O)[nH]1)C1(c2ccc(F)cc2F)CCC1 97045566 IXFYDFLDUCPTTI-UHFFFAOYSA-N 336.342 1.547 0 40 EDAB CN(C)CCOc1cc(C(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)ccn1 97080789 RALCXPZSEAUFMJ-IRXDYDNUSA-N 346.475 1.578 0 40 EDAB CON(S(=O)(=O)c1cccs1)S(=O)(=O)c1cccs1 4698412 YZNOKCNMSRUJMW-UHFFFAOYSA-N 339.441 1.751 0 40 EDAB Cn1cc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCOCC2)cn1 96116709 JVXUOJURBPXFFH-ZDUSSCGKSA-N 349.416 1.448 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](c2cncc(Nc3ncccn3)n2)C1 72354337 HRFXDLVKPKUXOC-LLVKDONJSA-N 334.405 1.149 0 40 EDAB COCC[C@@](C)(O)CNC(=O)Nc1cccc(N2CCOC2=O)c1 72285525 VCNBUTVTJVAMCJ-MRXNPFEDSA-N 337.376 1.552 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)NC[C@@H]1CCN(C2CC2)C1 66620789 SQSXRXUKTHFTFJ-NSHDSACASA-N 337.370 1.295 0 40 EDAB CN(c1ccc(OCC(=O)N2CCCCCC2)cc1)S(C)(=O)=O 22230680 FHLMJMKGYDJTAI-UHFFFAOYSA-N 340.445 1.864 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)Cc2ccc(-n3cnnn3)cc2)cn1 71796790 KNPZPLIGAQQFKY-MRXNPFEDSA-N 337.387 1.302 0 40 EDAB C[C@H](Nc1ncnc2c1cnn2CCO)c1ccc2[nH]c(=O)[nH]c2c1 97199787 LJWNVWKZYRSNOD-VIFPVBQESA-N 339.359 1.161 0 40 EDAB COCCCNS(=O)(=O)c1ccc(Br)cc1F 68741086 SDOWBJRNRKJNQX-UHFFFAOYSA-N 326.187 1.903 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc[nH]3)C2=O)cc1 7974724 NPULIBOUGUVNJC-QGZVFWFLSA-N 327.340 1.673 0 40 EDAB CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H](O)c2ccccc2)c1 73308687 BLRVBHAICREBNR-BLLLJJGKSA-N 348.424 1.506 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cccn1)N1CCc2sccc2C1 70039656 MAQVFDYEOAZQGX-HNNXBMFYSA-N 330.457 1.994 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCCN3C2=O)c(C)c1 69461473 MOLVHSFMSRPFMZ-LSDHHAIUSA-N 332.400 1.860 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)NC1CCC(C(F)(F)F)CC1 69585192 GVGHABXNPVVEPU-HTAVTVPLSA-N 345.369 1.420 0 40 EDAB C[C@@H](c1ccsc1)N1CCN(C(=O)N[C@H](C)C[S@](C)=O)CC1 97143187 PURUXIIKYBLYBC-GPAUDHNESA-N 343.518 1.903 0 40 EDAB CCCCn1nnnc1CN(C)[C@@H]1CCCN(c2ccc(C)nn2)C1 71859804 SYCBIJCVZIPBNL-OAHLLOKOSA-N 344.467 1.672 0 40 EDAB CCOC(=O)c1cc(S(=O)(=O)Nc2cc(F)ccc2C)n[nH]1 8611638 BXROSYMSMHHCKP-UHFFFAOYSA-N 327.337 1.835 0 40 EDAB COC(=O)[C@H]1CCCN1CC(=O)N1CCCc2cc(OC)ccc21 69876826 RYBMVPVNWLMPTP-MRXNPFEDSA-N 332.400 1.612 0 40 EDAB CCCCCS(=O)(=O)N1CCN(C(=O)Nc2cn[nH]c2)CC1 69849367 NKWXMGQPVOYSHW-UHFFFAOYSA-N 329.426 1.079 0 40 EDAB CC(C)CNC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC(O)CC2)cc1 69974866 YZXCIESGGRKPCD-CQSZACIVSA-N 348.443 1.965 0 40 EDAB Cc1nccn1CCCC(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69979377 SWEGZAOIEKBPOW-MRXNPFEDSA-N 336.480 1.523 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3nc(C)ncc3Cl)CCO2)n1 83829951 BIIJAZPDCDYOIW-JTQLQIEISA-N 336.783 1.333 0 40 EDAB O=C(COC(=O)c1cccc(-n2cnnn2)c1)c1ccc(F)cc1 9744683 NKIACNHABNMNBR-UHFFFAOYSA-N 326.287 1.841 0 40 EDAB Cn1cc([C@]2(C)NC(=O)N(Cc3nc4ccc(F)cc4o3)C2=O)cn1 95454026 SQFORMRTAYNSFF-INIZCTEOSA-N 343.318 1.668 0 40 EDAB CC1(C)CN(C(=O)[C@H](N)CCS(C)(=O)=O)C[C@H]1c1ccccc1 95466875 JTKGIKSJTQESSV-LSDHHAIUSA-N 338.473 1.401 0 40 EDAB Cc1nsc2ncc(C(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)cc12 89568251 JTTLZYOVDFHEFZ-CABCVRRESA-N 346.456 1.671 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C[C@@H](C)O1 75125798 CSIORFHYQJKXNA-CHWSQXEVSA-N 345.399 1.474 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)NCCNc2ccccn2)C1 89761888 QIYOLXSEDLTHBQ-CYBMUJFWSA-N 329.408 1.211 0 40 EDAB CC(C)c1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)n[nH]1 89893308 PEWSVOWHRVALHS-ZIAGYGMSSA-N 327.450 1.961 0 40 EDAB CC(=O)c1cc(F)ccc1OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 75582958 MWMVMWOJHAFZMP-NSHDSACASA-N 343.376 1.605 0 40 EDAB C[C@H](O)C1CCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)CC1 187649369 TVDRUNNLPVWTMC-JTQLQIEISA-N 326.343 1.314 0 40 EDAB CCc1ccccc1N(CC(=O)N[C@@H](C)COC)S(C)(=O)=O 408630068 MZUPZFVFISRQBG-LBPRGKRZSA-N 328.434 1.166 0 40 EDAB CCc1nnc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cn12 65199053 LQIMEURQJCHSLL-UHFFFAOYSA-N 346.368 1.821 0 40 EDAB COc1cc([C@@H]2NCCC(=O)N2)cc(I)c1O 408737855 PETLCRJYZFAJRR-LLVKDONJSA-N 348.140 1.114 0 40 EDAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCN1CCOCC1 408706187 WUXHLXKKOSYTIY-QGZVFWFLSA-N 336.432 1.691 0 40 EDAB CCOC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C 36079092 WTLLLFHCGJBRJG-UHFFFAOYSA-N 326.374 1.037 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 409302703 FDOWKVAJEGPZLP-VWPFQQQWSA-N 347.754 1.716 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@H](c1ccc(F)cc1)NC(=O)N2 35590225 WQFQXYOXDWERET-HNNXBMFYSA-N 333.363 1.703 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN(C)c2cncc(Cl)n2)cc1 78567486 UARQUGJPSKMZMP-UHFFFAOYSA-N 340.836 1.853 0 40 EDAB CC(=O)N1CCN(c2cccc(NC(=O)c3cnn(C)c3)c2)CC1 187128398 BKYDQVFBWUMEHM-UHFFFAOYSA-N 327.388 1.341 0 40 EDAB Cn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)c2ccccc21 77261947 MVWSVZGMVQFQNG-VBSBHUPXSA-N 337.423 1.941 0 40 EDAB biogenic,in-vitro Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 78113877 QVYMKUSDEHHILW-KBXCAEBGSA-N 342.443 1.807 0 40 EDAB CCN(CC(=O)N[C@@H](C)COC)S(=O)(=O)c1ccc(Cl)cc1 39985978 NHFHRYBCLXRUJF-NSHDSACASA-N 348.852 1.502 0 40 EDAB O=C(NCCNC(=O)c1c(F)cccc1F)NCC[C@@H]1CCCO1 79036136 SWLBRRKILUXSNR-NSHDSACASA-N 341.358 1.563 0 40 EDAB O=C(O)[C@]1(O)[C@@H](c2ccccc2)[C@H](c2ccccc2)Nc2ncnn21 72332388 KYYRQCBFOZVMLT-RLFYNMQTSA-N 336.351 1.958 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)CCCNC(=O)NC1CCCCC1 40488268 GIHJSGIWYFDMOG-UHFFFAOYSA-N 340.468 1.429 0 40 EDAB CN(C)S(=O)(=O)N(C)CC(=O)NCc1cccc2ccccc12 225959904 CEMODQMFQNISNI-UHFFFAOYSA-N 335.429 1.194 0 40 EDAB O=S(=O)(Cc1ccc(F)cc1)N1CCN(C[C@H]2CCOC2)CC1 85296218 UPLSYPCKUSAVAC-OAHLLOKOSA-N 342.436 1.310 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)s1 571835718 LIKAPEHOFJGESS-GHMZBOCLSA-N 333.431 1.523 0 40 EDAB O=S(=O)(c1ccccc1C(F)(F)F)N1CC(n2ccnn2)C1 225694671 LQALEGJQERTZCP-UHFFFAOYSA-N 332.307 1.543 0 40 EDAB COc1ccc(-c2ncc(C(=O)O)c(N3CCOCC3)n2)cc1OC 49469340 CTUBAEIBQYKLLK-UHFFFAOYSA-N 345.355 1.696 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CC[C@H](Oc2cccnn2)C1 225412493 WDUAXELUUBKCAH-SWLSCSKDSA-N 327.340 1.296 0 40 EDAB O=C(c1cccnc1)N1CC[C@]2(C[C@@H](Oc3ncccn3)CO2)C1 96218755 WBXUQGZKVMKJGN-PBHICJAKSA-N 326.356 1.324 0 40 EDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCC1CCOCC1 96223829 SGVKHDSXURNBHU-AWEZNQCLSA-N 349.387 1.023 0 40 EDAB O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(F)c(F)c1F 96420340 UGRPOSOEDJHKJQ-LDYMZIIASA-N 330.306 1.710 0 40 EDAB O=C(c1ccccn1)N1CCC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048394 SWEQZXLFQJLYNM-KDOFPFPSSA-N 339.399 1.747 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cccc(-c3cnn(C)c3)c2)C1 97235485 ITWYFKCTCBKBBD-KRWDZBQOSA-N 348.472 1.601 0 40 EDAB NC(=O)COc1cccc(CN2CC[C@@H](CNc3ccccn3)C2)c1 97200743 FTXUCZAZWITUDW-INIZCTEOSA-N 340.427 1.880 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)COc1ccccc1Br 95449084 AIVCMGDLCMLHJR-SNVBAGLBSA-N 339.193 1.624 0 40 EDAB CC(C)n1cc(N2C[C@H](C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2=O)cn1 96101493 HDQGYKFFHDGWOJ-MGPQQGTHSA-N 334.420 1.453 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(OCc3nnnn3C)cc2)C1 96101302 SLGAXLBFAATXQD-CHWSQXEVSA-N 329.404 1.907 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1Cc3ccccc3C(=O)O1)C2 97198807 OHXBSPNWIDCQGC-ZFWWWQNUSA-N 325.368 1.404 0 40 EDAB Cc1cccc(CCNC(=O)N2CCN(Cc3nc(C)no3)CC2)c1 96415366 TVFLDYLUABIBKY-UHFFFAOYSA-N 343.431 1.756 0 40 EDAB C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)[C@H](C)n1cncn1 95400534 NMHYCCVSTYDCJT-ZOBUZTSGSA-N 343.431 1.245 0 40 EDAB O=C(c1cscn1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 96208790 BUVZNGMYPFBVDK-WBMJQRKESA-N 331.397 1.706 0 40 EDAB Cc1ccoc1C(=O)N1CCn2cc(CN3CCOCC3)nc2C1 96197294 HRUPXKUEJUYMOB-UHFFFAOYSA-N 330.388 1.273 0 40 EDAB CC(=O)Nc1ccc(CNC(=O)N2CC[C@H](C)[C@H](C(=O)O)C2)cc1 581367964 CLNXXRCNZOSYLC-XHDPSFHLSA-N 333.388 1.897 0 40 EDAB O=C(c1ccoc1)N1CCC2(CC1)CN(c1ncccn1)CCO2 96159030 DOEKRKXPBDRTJR-UHFFFAOYSA-N 328.372 1.581 0 40 EDAB Cc1ccc(Cn2cccc(NC(=O)[C@@H]3CN(C)CCO3)c2=O)cc1 96484077 DDEWQZULJNBIDT-KRWDZBQOSA-N 341.411 1.474 0 40 EDAB Cn1nc2c(cc1=O)C[C@@H](C(=O)NCc1c[nH]c3ccccc13)CC2 238846261 IJWJSEUSKHZHIZ-LBPRGKRZSA-N 336.395 1.683 0 40 EDAB Cc1nnc(N2CCC[C@@]3(CN(Cc4nccs4)CCO3)C2)o1 96049196 ZBHFAFNARKLOKN-OAHLLOKOSA-N 335.433 1.706 0 40 EDAB CCOc1ncccc1CNC(=O)c1c(OC)cc(=O)n2c1CCC2 245026652 NEZYIFDWELIPAV-UHFFFAOYSA-N 343.383 1.527 0 40 EDAB O=S(=O)(NCC1(CO)COC1)c1ccc2sc(Cl)nc2c1 585087312 SKUMIVTXXBGXGE-UHFFFAOYSA-N 348.833 1.237 0 40 EDAB COCCN(C)CCCNC(=O)c1cc(-c2csc(N)n2)c[nH]1 585119182 VLRWMXUHVSRCSV-UHFFFAOYSA-N 337.449 1.419 0 40 EDAB C[C@H]1C[C@H]1c1ccc(CNC(=O)c2coc(CS(C)(=O)=O)n2)o1 585132228 QVRWINLAOFOSPV-GXSJLCMTSA-N 338.385 1.866 0 40 EDAB CCOc1cc(F)ccc1NC(=O)N[C@H]1CS(=O)(=O)C1(C)C 585138266 ZVCKDTQFVINHEK-LBPRGKRZSA-N 330.381 1.922 0 40 EDAB COc1ccc(CNC(=O)/C=C/C(=O)NC[C@](C)(O)C2CC2)cc1 585122220 RPEFZYUGPYZTDO-BBVFFXRHSA-N 332.400 1.145 0 40 EDAB COCC(=O)N1CC[C@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 257224553 FCGQEGSYGNZESU-ZDUSSCGKSA-N 327.388 1.886 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1COCC(=O)N1Cc1cccs1 85472551 ZWRHROWXIAKGIO-AWEZNQCLSA-N 331.397 1.187 0 40 EDAB Cc1c(CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)cnn1C 257319765 VTZHMBSEFBHWCP-HZPDHXFCSA-N 331.372 1.051 0 40 EDAB O=C(NCC(F)(F)F)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 252484219 FRZVLYMPPBKRKJ-UHFFFAOYSA-N 349.284 1.982 0 40 EDAB Cn1nccc1CCC(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257247876 JAYUPFUWZPFIJG-INIZCTEOSA-N 343.431 1.190 0 40 EDAB C[C@H]1CN(C(=O)NCc2cccc(Cl)c2)C[C@@H]1CS(N)(=O)=O 1615056924 CNPNIWBRHCRICB-CMPLNLGQSA-N 345.852 1.406 0 40 EDAB O=C1NCCN(C(=O)c2onc3c2CCCC3)[C@@H]1Cc1ccccc1 1615557476 KPVWLTOQTBWKPQ-MRXNPFEDSA-N 339.395 1.737 0 40 EDAB Cc1cc(C)nc(O[C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)n1 390827644 ILQBOFHCHBKOCQ-CYBMUJFWSA-N 334.401 1.330 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cscn3)[C@H]2C1 575406332 WQVIMMXCNZCUEI-ZXPJVPCYSA-N 335.429 1.002 0 40 EDAB CCCCNC[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O 585290697 UFNNIGDUGNWELJ-HKUYNNGSSA-N 334.460 1.333 0 40 EDAB Cc1ccc(OC[C@@]2(O)COCCN(c3ccnc(C)n3)C2)cc1 585275359 CZFNMIKUXYMOTB-SFHVURJKSA-N 329.400 1.740 0 40 EDAB CO[C@]1(COc2ccccc2)COCCN(C(=O)CCC(=O)O)C1 585269414 SQFUHPCHWZJRES-KRWDZBQOSA-N 337.372 1.174 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CCO1 103106488 OGHAFPHMFPTEMW-CVEARBPZSA-N 332.400 1.051 0 40 EDAB COC(=O)N[C@H](C(=O)OC[C@@H]1CN(CC(C)C)CCO1)C(C)C 106802260 CALOEOFOUWJGHS-KBPBESRZSA-N 330.425 1.267 0 40 EDAB CCOC(=O)CN1CCCN(c2ccc(Br)cn2)CC1 81004575 BVIXCXPBCQLLLX-UHFFFAOYSA-N 342.237 1.919 0 40 EDAB CC(C)(C)OC(=O)N1CCC2(CC1)[C@@H](C(=O)O)CCS2(=O)=O 91302850 MDKMSKUZSXKMOO-SNVBAGLBSA-N 333.406 1.275 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)C[S@](=O)c2cccc(F)c2)C1 95966746 POXLUJQIBFWPSO-WHEQGISXSA-N 326.393 1.060 0 40 EDAB COc1ccnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)n1 583618201 NBIXOVHXRJGWCH-XJKSGUPXSA-N 330.436 1.738 0 40 EDAB CC(C)c1nsc(N2CC[C@H](Nc3ccc4nccn4n3)C2)n1 547694732 KWHIMXBIWKWLAI-NSHDSACASA-N 329.433 2.395 0 40 EDAB O=C(CCc1ccccc1F)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966302 WVRFRAUUOIILQE-UHFFFAOYSA-N 346.337 1.563 0 40 EDAB Cc1nn2c(=O)cc(COC(=O)c3ccc4c(c3)OCO4)nc2s1 15733964 VGABDPFHGUOAHP-UHFFFAOYSA-N 345.336 1.545 0 40 EDAB Cc1ccnc(-n2cccc2CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)c1 19238223 FXUCZOMCLJQTCS-BPQIPLTHSA-N 326.444 1.820 0 40 EDAB COc1cc(OC)c2[nH]cc(C(=O)NCc3cccnc3)c(=O)c2c1 35289158 HDFFMVWSJDLSRM-UHFFFAOYSA-N 339.351 1.870 0 40 EDAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCCOC)ccc21 4436092 TWIXYBAOAWMTFC-UHFFFAOYSA-N 326.418 1.301 0 40 EDAB CO[C@@H]1CCN(c2ccc(C(=O)N3CC(n4ccnn4)C3)cc2)C1 245180664 ZFNQOZZXDMRTLP-MRXNPFEDSA-N 327.388 1.200 0 40 EDAB CCn1ncc2cc(C(=O)N(CC(=O)O)C3CCOCC3)c(C)nc21 565775254 KYWCINIJXBPZTH-UHFFFAOYSA-N 346.387 1.465 0 40 EDAB O=c1[nH]c(N2CCOCC2)nc2c1CCN(Cc1ccccc1F)C2 19349362 WQUZOOCSNBZABV-UHFFFAOYSA-N 344.390 1.304 0 40 EDAB O=C(CN1CCc2sccc2C1)N1CCN(c2ncccn2)CC1 10107420 JAPRTZAOIZBDLA-UHFFFAOYSA-N 343.456 1.245 0 40 EDAB O=C1CN(C(=O)CCC(=O)c2ccc(Br)cc2)CCN1 6602954 PTPFPWMUYGEKDB-UHFFFAOYSA-N 339.189 1.370 0 40 EDAB CCc1ncnc(N2C[C@H]3CN(c4nccc(OC)n4)C[C@@H]3C2)c1F 1888843051 MNYBERRXPTWVDG-RYUDHWBXSA-N 344.394 1.549 0 40 EDAB c1nc(N2CC[C@@H](COc3cc4c(nn3)CCC4)C2)c2c[nH]nc2n1 1888904150 BNZDWKOXSIQXII-LLVKDONJSA-N 337.387 1.537 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(c4ncncc4F)CC3)nn2)n1 1889139117 XETCUXKLCUEKQY-UHFFFAOYSA-N 340.366 1.226 0 40 EDAB CCn1ncc(Br)c1C(=O)N(C)Cc1cn(C)nc1C 2777693 GPBPKZORDOUWPY-UHFFFAOYSA-N 340.225 1.980 0 40 EDAB COc1cnc(O[C@@H]2CCN(CC(=O)N3CCC(C)CC3)C2)nc1 2086950013 VNLMHGHMXPJHGF-CQSZACIVSA-N 334.420 1.197 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC(OC[C@H]2CCOC2)C1 1565522938 CKXHZHMKHTWMBI-PMUGQKEBSA-N 331.368 1.692 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2cc[nH]n2)[C@H]1Cc1ccccc1 1565552563 ZPLMCDNBEPHTRZ-IRXDYDNUSA-N 329.400 1.899 0 40 EDAB CN1C(=O)c2cccnc2C12CCN(C(=O)CC1(O)CCC1)CC2 1565553517 BNOKXDJRYOLCHF-UHFFFAOYSA-N 329.400 1.290 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1cccc(F)c1)c1cccn1C 11897922 BFZLNVFNPNACTJ-OAHLLOKOSA-N 325.409 1.745 0 40 EDAB COCCN1CCO[C@H]2CCN(C(=O)c3csc(C)n3)CC[C@H]21 2055745829 GFNPHZSHNDDMMA-CABCVRRESA-N 339.461 1.403 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2ccccc2)C1 2055772170 DACYPUXDAFFXSO-GOSISDBHSA-N 326.400 1.190 0 40 EDAB O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccc2nsnc2c1 44059520 OCYPJPXPZNMMIL-UHFFFAOYSA-N 337.364 1.858 0 40 EDAB O[C@@H]1CCN(C2CCN(c3ncc(Br)cn3)CC2)C1 664598509 VMCCCUFDLIBHLW-GFCCVEGCSA-N 327.226 1.275 0 40 EDAB CCCC(=O)NC(=S)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 531720 YUXJWVJPSHXKBH-UHFFFAOYSA-N 348.472 1.968 0 40 EDAB Cn1nc(C(=O)NCCN2CCCCCC2)c2ccccc2c1=O 30001378 VTXQQHURQTXPDW-UHFFFAOYSA-N 328.416 1.539 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1 82003 CACHOZLAEHUYSX-UHFFFAOYSA-N 347.396 1.355 0 40 EDAB C[C@@]1(NC(=O)c2cnn(Cc3ccccc3)c2)CCS(=O)(=O)C1 40466543 CITXGOHKVAWFAP-MRXNPFEDSA-N 333.413 1.238 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N3C[C@H](C)OC[C@@H]3C)cnc12 40499037 QSMNMOVBGUCYIR-KBPBESRZSA-N 329.400 1.731 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Cl)c2c(c1)OCCO2 31611977 FXKKVOGOLLALCX-VIFPVBQESA-N 331.777 1.028 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CCO[C@H]2CCCC[C@@H]21 40553804 FLICBEPLHQPZEN-HOTGVXAUSA-N 327.384 1.567 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)N[C@@H]1CCCCNC1=O)CO2 40540810 GFHCYQHSSBEIPK-OAHLLOKOSA-N 330.384 1.646 0 40 EDAB COc1ccc([C@H]2C=C(C(=O)O)Nc3ncnn32)c(OC)c1OC 101347879 XFXYQYSTSJDSDT-SNVBAGLBSA-N 332.316 1.287 0 40 EDAB COc1ccccc1-n1nnc(C(=O)N2C[C@H](C)O[C@H](C)C2)c1C 32633746 LOLZLLUKGBCOAT-TXEJJXNPSA-N 330.388 1.834 0 40 EDAB Cc1cc(C(=O)Nc2nncs2)cc(S(=O)(=O)N(C)C)c1C 21214475 SORHBLSYGMYSMH-UHFFFAOYSA-N 340.430 1.658 0 40 EDAB O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(O)nn2)CC1 32744841 SJHYCTWRDCUFRS-UHFFFAOYSA-N 340.383 1.351 0 40 EDAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCOC1 41374221 XOKDLOXAPQUNOL-SUMWQHHRSA-N 329.400 1.368 0 40 EDAB CN(C(=O)CS(=O)(=O)N(C)C)[C@H]1CCC[C@H]1Cc1ccccc1 97107515 TXHMYOCUYBDKSA-HOTGVXAUSA-N 338.473 1.748 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCc2cc(Br)cs2)C1 46941308 UVAJAXIZFDDTBP-ZETCQYMHSA-N 332.223 1.527 0 40 EDAB O=C(CCOc1cccc(Cl)c1)NC[C@H]1CCS(=O)(=O)C1 41810489 XBHQQQHIRHAKIW-LLVKDONJSA-N 331.821 1.660 0 40 EDAB O=C1N[C@H](c2cc(Br)cc3c2OCC3)N2CCOC[C@H]12 97142073 LZAPIKUUUPZAAX-YPMHNXCESA-N 339.189 1.213 0 40 EDAB Cc1nc(CN(C)[C@@H]2CCN(CC(=O)N(C)Cc3ccco3)C2)no1 78891190 QIBIMBAMXVXAJT-CQSZACIVSA-N 347.419 1.136 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccncc1 78988591 UXBAUMQRVQDHPY-ONGXEEELSA-N 330.310 1.605 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)Nc1cncc(N2CCCC2)n1 79096377 RQBNMAVUTBFUES-UHFFFAOYSA-N 328.420 1.998 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@H](C(=O)c1ccccc1)n1ccccc1=O 819435 HYTXKPFLWXHYJJ-WBVHZDCISA-N 340.379 1.568 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)CNC(=O)c3cccs3)C2)n1 54121439 KNOGSLYFLRDYHM-NSHDSACASA-N 334.401 1.576 0 40 EDAB CCCc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 6743119 LTUKKJZDZHMZPV-UHFFFAOYSA-N 346.456 1.940 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)Cn1cc(Br)ccc1=O 42536198 KQALDEBFUALXCE-SNVBAGLBSA-N 339.193 1.012 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 56037161 AHBHYAAOSATBHR-GFCCVEGCSA-N 347.433 1.474 0 40 EDAB CC(=O)NCCNC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 47799695 OCQHPICYFDJWEW-CQSZACIVSA-N 349.822 1.598 0 40 EDAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cn1 12534003 YPGYUCYDFOTJPZ-UHFFFAOYSA-N 347.396 1.783 0 40 EDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)N1CCc2ccccc21 43228783 ZWNPVVMXMVBAKR-GOSISDBHSA-N 347.484 1.967 0 40 EDAB Cn1ccs/c1=N\C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 24818747 TUHXPEAHJDSQPC-LTRYHMRKSA-N 331.397 1.945 0 40 EDAB Cn1cc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cn1 25308151 CEOLOFAIEOVZMV-HNNXBMFYSA-N 348.428 1.602 0 40 EDAB COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)ccc1OCC(N)=O 9188980 OTTJHZLKKKJVBO-QWRGUYRKSA-N 338.429 1.344 0 40 EDAB CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 9974345 BXDAGUOUFSBIKZ-LBPRGKRZSA-N 326.418 1.150 0 40 EDAB CCOC(=O)N1CCN(c2nc(C3CC3)nc3c(C)nn(C)c23)CC1 57356022 MXWJGASQERGTJP-UHFFFAOYSA-N 344.419 1.828 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 103066448 OYVRKKJNWWJESF-GJZGRUSLSA-N 341.367 1.535 0 40 EDAB COC(=O)c1sc2nc(CN(CCO)C3CC3)[nH]c(=O)c2c1C 58179067 APVGSGBELXDKLH-UHFFFAOYSA-N 337.401 1.036 0 40 EDAB CC(C)C[C@H](NC(=O)Nc1ccc2c(c1)CCC2)C(=O)NCCO 84575073 ICJNZGNYGRMFSE-INIZCTEOSA-N 333.432 1.820 0 40 EDAB Cc1nn(C)cc1C1=NO[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 103504618 WOUHGFYZNXQCSH-TZMCWYRMSA-N 344.758 1.674 0 40 EDAB CCOc1ccccc1OCC(=O)N1CCC[C@@H]1C(=O)NC1CC1 44889172 RDMFJHJQTFMDSM-CQSZACIVSA-N 332.400 1.734 0 40 EDAB CC(=O)NCCNC(=O)c1sc(NC(=O)c2ccco2)cc1C 27671876 YIBOJAUTFNBBSO-UHFFFAOYSA-N 335.385 1.768 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)C[C@@]2(CCSC2)C1=O 58294919 HCXDSTQNHQYOIK-KBXCAEBGSA-N 349.452 1.925 0 40 EDAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3cnn(C)c3)CC2=O)c1 44915757 HEBOIIDNGOJTNW-LLVKDONJSA-N 344.371 1.429 0 40 EDAB Cc1nnc(NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)s1 44937011 RSYRJTHTXATVJZ-JTQLQIEISA-N 348.432 1.788 0 40 EDAB CCCn1c(=O)n(CC(=O)N[C@H](C)[C@H]2CCCO2)c2ccccc21 27882853 PUODMDVIOANLEN-CZUORRHYSA-N 331.416 1.897 0 40 EDAB Cc1cccc(OCC(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1C 10925743 RWCSIDSBHFMFBB-UHFFFAOYSA-N 339.351 1.851 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C[C@@H](C)O1 28700150 BJZDYUSDRGNJKO-OKILXGFUSA-N 327.384 1.541 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)[C@@H]1CCCN(c2cnccn2)C1 45886846 JMQDVISJHBUQST-HZPDHXFCSA-N 326.400 1.543 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1C[C@@H](O)c1cc(F)ccc1F 48374249 WQMQRRFZXSYVRF-BXUZGUMPSA-N 328.340 1.426 0 40 EDAB NC(=O)[C@@H]1CC(C(=O)NCc2ccco2)=NN1c1ccc(F)cc1 29402292 GSOKVSSCUJRPNT-AWEZNQCLSA-N 330.319 1.155 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)[C@H]1CCCO1 48306916 VAYHZEAFLZIOEQ-CZUORRHYSA-N 329.404 1.693 0 40 EDAB COC(=O)c1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1 48367936 TZLBUZRLHBHZJL-UHFFFAOYSA-N 341.371 1.617 0 40 EDAB CC[C@@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@H]1N1CCOCC1 84735956 NHJZJXYWBKUKBG-TZMCWYRMSA-N 338.839 1.621 0 40 EDAB CC(C)OC(=O)CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 12899009 KTTWTIPITCQBSB-UHFFFAOYSA-N 342.417 1.008 0 40 EDAB CC(C)CCC[C@@H](C)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 12908489 ZGGPOTBAFVTCDV-GFCCVEGCSA-N 346.431 1.577 0 40 EDAB C[C@H](CO)N1CCN(c2nc3ccccc3nc2N2CCCC2)CC1 95449374 KCHCWSWOJQVFEE-OAHLLOKOSA-N 341.459 1.733 0 40 EDAB C[C@H](CNC(=O)CNC(=O)c1cc(-c2ccccc2)on1)N(C)C 71186202 FTHSFFFDYMSKHS-GFCCVEGCSA-N 330.388 1.138 0 40 EDAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NC3CC3)CS[C@H]21 4081076 AEAQYCVWAJICDV-MGPLVRAMSA-N 334.397 1.552 0 40 EDAB biogenic CCNC(=O)CNC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 39984965 FDHZMWYVTJLDMS-CYBMUJFWSA-N 325.796 1.160 0 40 EDAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C1 4476693 GYKICQSNSDLKOX-FZKQIMNGSA-N 329.400 1.712 0 40 EDAB O=C([C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1)N1CCCC1 65551983 ZBCBRKZEIBKHGH-CYBMUJFWSA-N 344.433 1.512 0 40 EDAB CCN(CC)[C@@H](CNC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccco1 65622379 DQUNMEZOTREWOB-KBPBESRZSA-N 342.461 1.604 0 40 EDAB CS(=O)(=O)NCc1ccc(-c2nc([C@@H]3CCCCCN3)no2)o1 96001524 NNPRYMLCVICPJN-NSHDSACASA-N 340.405 1.584 0 40 EDAB CCCCNC(=O)c1cnc(NS(=O)(=O)c2ccccc2)nc1 408527204 BHHKEZMIMPZJBY-UHFFFAOYSA-N 334.401 1.807 0 40 EDAB CC(=O)Nc1ccc(CNC(=O)CSc2nnc(N)s2)cc1 4731389 KMFAYNGDKIRPFS-UHFFFAOYSA-N 337.430 1.487 0 40 EDAB COc1ccc(CN(C(=O)COC(=O)c2cnn(C)c2)C2CC2)cc1 14897560 ZWLYCGGXLZSNRH-UHFFFAOYSA-N 343.383 1.777 0 40 EDAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccs1 97015091 WPXCFTSPBVCRDK-VIFPVBQESA-N 328.419 1.299 0 40 EDAB COCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 5841890 XQVDDPHQSDAIRD-UHFFFAOYSA-N 326.418 1.755 0 40 EDAB Cc1cc(NC(=O)COC(=O)C2=COCCO2)n(-c2ccccc2)n1 5895510 ZDJBGAROYGKGMA-UHFFFAOYSA-N 343.339 1.551 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(c1ccccc1)S(C)(=O)=O 408908218 VSNQGWQAKUKISQ-OCCSQVGLSA-N 326.418 1.136 0 40 EDAB COc1ccc(S(=O)(=O)NCCN(C)C)cc1Br 7612669 NNDZIUUMPWWWML-UHFFFAOYSA-N 337.239 1.298 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CCCN(c2cnccn2)C1 72278620 OXUQOJZDSBSYMD-ZIAGYGMSSA-N 326.404 1.021 0 40 EDAB NC(=O)CN1CCC[C@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 68464361 CBLOQDRYHQLICX-AWEZNQCLSA-N 335.835 1.438 0 40 EDAB CCOc1ccccc1CNC(=O)NC[C@H](c1cnn(C)c1)N(C)C 72287695 IJXSGFWQEVOXLH-MRXNPFEDSA-N 345.447 1.921 0 40 EDAB CC(C)(C(=O)N1CC[C@]2(C1)NC(=O)NC2=O)c1ccccc1Cl 72290613 WSLVPRSLQUARDS-MRXNPFEDSA-N 335.791 1.428 0 40 EDAB CCN1N=C(C(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)CCC1=O 72271435 OGMFYLWHFOOHPS-LBPRGKRZSA-N 347.419 1.897 0 40 EDAB C[C@H](NS(=O)(=O)c1cccs1)c1ccc(S(N)(=O)=O)cc1 8131764 PNMIAQNDRHRPHQ-VIFPVBQESA-N 346.455 1.435 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)c1cccnc1Oc1cccnc1 69329565 RVLJOQOBBFOJLR-UHFFFAOYSA-N 328.372 1.913 0 40 EDAB C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)C(=O)N1CCOCC1 69381246 QCUACMUONYKGTQ-LLVKDONJSA-N 344.333 1.611 0 40 EDAB CC1(C)NC(=O)N(C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1=O 71855234 URFRGZYUKLEALF-HIFRSBDPSA-N 332.400 1.772 0 40 EDAB COc1ccccc1NC(=O)[C@@H](C)N[C@@]1(C)CCS(=O)(=O)C1 8315152 IGQLZZPIXKBSPX-ABAIWWIYSA-N 326.418 1.189 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)NCC3CCCCC3)nn12 8346140 RFXZURPGBRTELC-UHFFFAOYSA-N 331.376 1.286 0 40 EDAB O=C1CCCN1CCNCC1CCN(C[C@H](O)c2ccccc2)CC1 71871497 YUYMTJPQWJANFR-IBGZPJMESA-N 345.487 1.644 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1n[nH]c(=O)c2ccccc12 69485990 BOZOJBMEEVVVBX-IRXDYDNUSA-N 340.427 1.551 0 40 EDAB CS(=O)(=O)C1(C(=O)N2CCC[C@H]2Cn2cccn2)CCCC1 71866778 ATJYHJULOIVAFW-ZDUSSCGKSA-N 325.434 1.232 0 40 EDAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCc2nc(C3CC3)no2)C1 69588830 KZCINTOSBXAIGV-LBPRGKRZSA-N 349.435 1.641 0 40 EDAB NC(=O)[C@@H](Sc1n[nH]c(N)n1)c1ccc(Br)cc1 69557780 WCUPZUJBZARMPZ-ZETCQYMHSA-N 328.195 1.468 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cncn1)NCCc1c(F)cccc1F 69615187 DLDHKJPRYSDLPS-ZDUSSCGKSA-N 349.385 1.380 0 40 EDAB COC(=O)c1cccc(CS(=O)(=O)N(C)Cc2ccncc2)c1 69662937 APYAXDRNPPHPPZ-UHFFFAOYSA-N 334.397 1.830 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cccc(N3CCCC3=O)c1)C2 69617198 TYPNAUWSMLGYCX-UHFFFAOYSA-N 339.399 1.623 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](n2ccnc2)C1 69630340 YJDUOZDUVCHVSV-ZDUSSCGKSA-N 326.356 1.655 0 40 EDAB CC1(C)NC(=O)N(CCSc2nccn2Cc2ccccn2)C1=O 71903297 FANLZLMRRVRJFN-UHFFFAOYSA-N 345.428 1.749 0 40 EDAB C[C@H]1CN(CCCS(C)(=O)=O)CCN1C[C@H](O)c1ccccc1 69739233 MXFKBKMMVWUOLH-RDJZCZTQSA-N 340.489 1.161 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN([C@@H](C)C(=O)Nc3cc(C)on3)C2)n1 69847623 WKHHDJMQANGKJF-WFASDCNBSA-N 346.435 1.931 0 40 EDAB Cc1[nH]ncc1C(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 69844397 WNSYQXCCHSVLET-UHFFFAOYSA-N 340.309 1.489 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCN(C(=O)C2CC2)CC1(C)C 95463676 YSCKTRPKOIUXKJ-UHFFFAOYSA-N 331.482 1.296 0 40 EDAB Cc1cc(NC(=O)CN(Cc2ccccc2)[C@H](CO)C2CC2)n(C)n1 95437984 VUIBIRIHRLROBU-QGZVFWFLSA-N 342.443 1.940 0 40 EDAB Cc1cccc(CNC(=O)c2cnn([C@@H]3CCS(=O)(=O)C3)c2C)n1 95954040 BIIBCTVOVZPTFN-CQSZACIVSA-N 348.428 1.185 0 40 EDAB CCO[C@H]1C[C@@H](NC[C@H]2CCCN2S(C)(=O)=O)C12CCCC2 95988133 VIFWUQFTWQOPFD-KFWWJZLASA-N 330.494 1.738 0 40 EDAB CCc1n[nH]c([C@@H]2CN(CC(=O)NCCc3ccsc3)CCO2)n1 89289820 LOILFUGKDMNTFA-ZDUSSCGKSA-N 349.460 1.161 0 40 EDAB CN(C(=O)CN1CCCC2(CC2)S1(=O)=O)c1ccc(Cl)cn1 1548453702 JCGMBCLCPRGKJE-UHFFFAOYSA-N 343.836 1.656 0 40 EDAB COCCn1cc(NC(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)cn1 75137059 ITTQWXZPFVECFY-NHYWBVRUSA-N 336.367 1.912 0 40 EDAB O=C(Cc1ccon1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 89834979 GMCOCXXFFJYXRK-DLBZAZTESA-N 327.384 1.329 0 40 EDAB CCOC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)C(C)C 75572742 DYLXJQOYRNDTKI-HZMBPMFUSA-N 348.403 1.804 0 40 EDAB CCOC(=O)N[C@H](C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)C(C)C 75572743 DYLXJQOYRNDTKI-YGRLFVJLSA-N 348.403 1.804 0 40 EDAB C[C@H](Nc1ccc(Br)c(F)c1)C(=O)N1CCNC1=O 76084421 KCXWXDTZRJCBTL-ZETCQYMHSA-N 330.157 1.940 0 40 EDAB CCc1nc([C@H]2CCCN2CCN2C(=O)NC3(CCCC3)C2=O)no1 76040226 KUIMCYGMNNBUPV-GFCCVEGCSA-N 347.419 1.634 0 40 EDAB C[C@@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)C[C@@H]1N(C)C 76050555 UTERYKJRLYJIDK-CJNGLKHVSA-N 328.416 1.195 0 40 EDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1cc(Br)ccc1F 77650112 KDLZNZONBKDDQS-SECBINFHSA-N 345.168 1.822 0 40 EDAB CC(C)n1c(=O)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c1=O 20610631 XBOQCCIQABNTMN-HNNXBMFYSA-N 340.383 1.540 0 40 EDAB biogenic NC[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218629128 MOKXKSTYTPKBHM-VYDXJSESSA-N 349.383 1.795 0 40 EDAB O=C(NCC[C@@H]1CN(CC2CCC2)Cc2ccnn21)c1cnccn1 306140058 UIJZAOWNMCLHIS-OAHLLOKOSA-N 340.431 1.650 0 40 EDAB COc1cc(/C=C/C(=O)NCCO)cc(Br)c1OC 62714897 OYSXLHFGSZKQBJ-ONEGZZNKSA-N 330.178 1.588 0 40 EDAB CCCNC(=O)c1nsc(C(=O)NCc2ccccc2F)c1N 67334903 QQTHBUVWJZRFRM-UHFFFAOYSA-N 336.392 1.934 0 40 EDAB C[C@H]1CC[C@@H](NC(=O)Cc2cncn2C)CN1C(=O)c1ccns1 1018278855 WLASLCRYADVBAI-NWDGAFQWSA-N 347.444 1.229 0 40 EDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 218096371 ZOWPSFGVHIFVRO-GVDBMIGSSA-N 332.425 1.291 0 40 EDAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@@H](C)C(=O)O)CC1)CC2=O 72328077 LRKYFZDNGAIXMR-BBATYDOGSA-N 347.367 1.885 0 40 EDAB COc1ccc(C)cc1[C@@H](O)CN1CCC(N2CCNC2=O)CC1 72270826 SISXLMXIELQDKO-INIZCTEOSA-N 333.432 1.527 0 40 EDAB CC(C)n1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)nn1 552527546 ADXVQFCOMAEZRZ-OAHLLOKOSA-N 341.415 1.524 0 40 EDAB CC(C)N1CCN(S(=O)(=O)c2cncc(Cl)c2S)CC1 72210803 IEOZEDZECOBVJE-UHFFFAOYSA-N 335.882 1.738 0 40 EDAB COC[C@H](C)Nc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)O 217556174 IKQOKGZGMLOCTP-NSHDSACASA-N 344.433 1.766 0 40 EDAB C[C@H](CNC(=O)C1=NN(C)C(=O)CC1)CN(C)C(=O)OC(C)(C)C 78882006 QOKQCUGWFKAXIG-LLVKDONJSA-N 340.424 1.214 0 40 EDAB Cc1ncc(C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)c(N)n1 565265519 AXHLBXXBHQCQGJ-OAHLLOKOSA-N 325.416 1.366 0 40 EDAB COc1ccc([C@@H](NC(=O)Nc2nccn(C)c2=O)C2CC2)cn1 529046391 SUZGMKKLSMGYQC-ZDUSSCGKSA-N 329.360 1.457 0 40 EDAB C[C@H](NC(=O)N[C@H]1C(=O)NCC[C@H]1C)c1cn(-c2ccccc2)nn1 193914118 SXEQDRGIVYRXCO-TYNCELHUSA-N 342.403 1.152 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N(C)c2nccs2)cc1OC 225632421 ZRSUDJKCPVLIHY-UHFFFAOYSA-N 342.398 1.763 0 40 EDAB O=C(NC[C@H]1CCCN(C(=O)CCc2cccs2)C1)[C@H]1CCCN1 225481089 QKKZZMRXNOKQAA-GDBMZVCRSA-N 349.500 1.788 0 40 EDAB O=C(NCC1(O)Cc2ccccc2C1)[C@H]1COc2ccccc2O1 225714884 ZRSGTGCDXOXMAL-QGZVFWFLSA-N 325.364 1.473 0 40 EDAB CCN1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1=O 193859151 RBEPMBUCDYFHGF-UHFFFAOYSA-N 326.271 1.053 0 40 EDAB Cc1ccccc1NC(=O)NCCn1nc(C(F)(F)F)n(C)c1=O 85555816 VHTVGFXVZNZLNS-UHFFFAOYSA-N 343.309 1.731 0 40 EDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)NCC1(c2ccc(F)cc2)CCC1 193882463 SFEKCYVNWFVURO-LBPRGKRZSA-N 342.436 1.644 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)C)cn1 330993101 SQUIRPFDBSCWAI-SNVBAGLBSA-N 329.404 1.876 0 40 EDAB COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CCC(=O)NC1 96404684 XKWLQDKFBOVTJJ-LLVKDONJSA-N 342.798 1.980 0 40 EDAB CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1 96098227 MKXKJORVWXZZOE-UHFFFAOYSA-N 337.850 1.538 0 40 EDAB C[C@H]1c2ncc(COCc3cccnc3)n2CCN1C(=O)CN(C)C 96206386 QWZSFFCOXBDHEW-AWEZNQCLSA-N 343.431 1.460 0 40 EDAB Cc1noc(CN2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)n1 96415337 DZBIZAJFUXJRGD-CVEARBPZSA-N 341.415 1.761 0 40 EDAB Cn1nccc1C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96208835 WSLXRMRQZWVKJZ-CRAIPNDOSA-N 342.399 1.121 0 40 EDAB O=C(O)Cn1nc2cc(-c3nc(-c4ccccc4)no3)ccn2c1=O 96530645 QNFFLUNQBPTHPM-UHFFFAOYSA-N 337.295 1.298 0 40 EDAB O[C@H](COc1cccc2[nH]ccc12)Cn1nnnc1-c1ccccn1 95414574 ASLDXCQFYRXLAC-LBPRGKRZSA-N 336.355 1.656 0 40 EDAB CS(=O)(=O)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 96207061 LMALRTRAWROYHB-GJZGRUSLSA-N 326.418 1.181 0 40 EDAB O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCOC1 96445586 CJURJSYCIYMJAZ-QGZVFWFLSA-N 330.428 1.620 0 40 EDAB CNC(=O)N1CCc2cc(C(=O)N3CCCC3)c(N(C)C)nc2CC1 96260407 RKGCBLBGJXDOOF-UHFFFAOYSA-N 345.447 1.124 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@H]1c1nccc(NCC2CC2)n1 96218429 ANVDFTHUMPCUNU-ZDUSSCGKSA-N 338.433 1.164 0 40 EDAB O=c1cccnn1C[C@H]1CN(CC2CCCC2)Cc2nccn2C1 96188738 KOKNTLJVIJKGAD-INIZCTEOSA-N 327.432 1.762 0 40 EDAB Nc1ncnc2c1ncn2CCCOc1nnc(-c2ccccc2)o1 95993777 SWLGWIOMGGWAPQ-UHFFFAOYSA-N 337.343 1.928 0 40 EDAB CCS(=O)(=O)N1CCC2(CC[C@@H](COC)N2CC2CC2)CC1 96207256 YFCGXVIDVYULQY-HNNXBMFYSA-N 330.494 1.692 0 40 EDAB Cn1ccnc1C(=O)N1CCC2(CC1)CC(Nc1ncccn1)C2 248107251 GEMKBYCFEMCLGW-UHFFFAOYSA-N 326.404 1.707 0 40 EDAB O=C(Cc1cccs1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 247872566 RLDQOLFDRQSBCX-ZDUSSCGKSA-N 345.424 1.920 0 40 EDAB C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)CCS(=O)(=O)C1 249260948 IZGXKNDPJZYTOA-VJUNAUMWSA-N 348.468 1.791 0 40 EDAB Cn1cc(C(=O)N2CC(n3ccnn3)C2)c(-c2cccs2)cc1=O 244983799 IRNUPRQLMCJWCN-UHFFFAOYSA-N 341.396 1.402 0 40 EDAB CCn1cnnc1[C@H]1CN(c2cccc(-n3ccnc3C)n2)CCO1 585079907 VPRATHKJEDSVTN-CQSZACIVSA-N 339.403 1.765 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1[C@@H](C)CC(=O)C[C@H]1C1CC1 585114709 UITFJNDSYRPPMK-XPTSAGLGSA-N 325.434 1.558 0 40 EDAB O=c1/c(=C/Nc2nc(-c3ccccc3)cs2)sc2ncnn12 256055508 JHVLZVVVYJGHCH-WDZFZDKYSA-N 327.394 1.844 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)Cn2cccn2)C1 257307289 SYAQLGIFBOFFCX-SFHVURJKSA-N 346.406 1.118 0 40 EDAB C[C@]1(c2ncc(CNC(=O)CCCn3cncn3)cn2)CCCCO1 257264128 LTAYWKJMTUPUTN-QGZVFWFLSA-N 344.419 1.580 0 40 EDAB COCC(=O)NC1CN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)C1 252495013 OKWSQKMFESJDME-LBPRGKRZSA-N 337.342 1.264 0 40 EDAB O=C(COc1ccccc1F)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257303048 SFOLCCLEWONQRM-NVXWUHKLSA-N 331.343 1.855 0 40 EDAB CC(C)CC[C@]1(C2CC2)NC(=O)N(CCN2C(=O)CCC2=O)C1=O 252478268 AHHZLZMLMHPHQT-QGZVFWFLSA-N 335.404 1.272 0 40 EDAB CC1(c2nccs2)CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 257305973 SSHYPEIVODIOAM-NSHDSACASA-N 328.459 1.458 0 40 EDAB O=S(=O)(c1ccc(F)cc1F)N1CCN(C[C@H](O)C2CC2)CC1 85467015 NPUWZAAILSVKEF-AWEZNQCLSA-N 346.399 1.042 0 40 EDAB CC(C)[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1CCCS1(=O)=O 262177613 RCARSRLJFJCBTE-CYBMUJFWSA-N 340.401 1.383 0 40 EDAB C[C@@H](NC(=O)c1ccc(NC(=O)CC2CCOCC2)cc1)C(=O)O 262824008 ATACLOQLGRMIIM-LLVKDONJSA-N 334.372 1.645 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc3oc(C)nc23)CC1 275850062 GTJKHRLQQWEOHD-LLVKDONJSA-N 331.372 1.594 0 40 EDAB Cn1cc(-c2ccccc2)c(NC(=O)N2CC(S(C)(=O)=O)C2)n1 1615050875 HMKLCZNCJYDJRE-UHFFFAOYSA-N 334.401 1.348 0 40 EDAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@H](CO)C[C@@H]1CO 1615587456 ZYZAYUVYQNNYKZ-IUODEOHRSA-N 349.818 1.649 0 40 EDAB Cc1c(Br)c(C(=O)N(C)CCn2cccn2)nn1C 1615613418 VYYJALANVATXSC-UHFFFAOYSA-N 326.198 1.460 0 40 EDAB CNC(=O)c1cccc(Cn2nnnc2N2CCSC(C)(C)C2)c1 1616036337 JLYBNQDMPGOTBY-UHFFFAOYSA-N 346.460 1.413 0 40 EDAB C[C@H](N[C@@H](CO)C1CCCC1)c1ccc(S(N)(=O)=O)cc1F 1616040892 HCHVNYKXHIMVCS-BONVTDFDSA-N 330.425 1.675 0 40 EDAB O=C(O)c1ccn(-c2ccccc2NS(=O)(=O)c2ccco2)n1 390833321 FZLZZTAYXCOANZ-UHFFFAOYSA-N 333.325 1.964 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)c(C)c1 575424774 MQDLUZVWUXIIBS-CQSZACIVSA-N 331.459 1.501 0 40 EDAB O=C(C1CC(O)C1)N1CCOC[C@@H]1c1nccc(N2CCCCC2)n1 585113167 UKWFHMFHSUHNIJ-YMAMQOFZSA-N 346.431 1.138 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@]3(CCN3CC(=O)N3CCCC3)C2)no1 585102103 RQYXSXDWKLKYBC-GOSISDBHSA-N 346.431 1.286 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCCC(=O)Nc1cn[nH]c1 69617722 CZBISXHWQKOBSS-BZNIZROVSA-N 344.371 1.473 0 40 EDAB CNC(=O)c1sc2nc(CC(=O)c3ccco3)[nH]c(=O)c2c1C 53844368 KPWUPUCHXAPVMG-UHFFFAOYSA-N 331.353 1.671 0 40 EDAB CC(C)(NCC(=O)N1CC(=O)Nc2ccccc21)c1nccs1 72662551 QORIKTJGGASSFN-UHFFFAOYSA-N 330.413 1.953 0 40 EDAB CC(=O)N1CCC(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)CC1 76248729 LMPVKILASJURDH-JKSUJKDBSA-N 340.489 1.758 0 40 EDAB C[C@H]1CN(C)CCN1CC(=O)NCCOc1cccc(Cl)c1 89939024 DCYVGWDOPOHYIV-ZDUSSCGKSA-N 325.840 1.471 0 40 EDAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)C3CC3)C2)c2cccnc21 19021617 ILMFOOFJSJEGTM-AWEZNQCLSA-N 341.415 1.293 0 40 EDAB O=C1CN(CCN2CCCCC2)CC(=O)N2Cc3ccccc3CN12 19364785 YHILIFSWFBZPBA-UHFFFAOYSA-N 342.443 1.074 0 40 EDAB CC1(C)OC(=O)C[C@H]1C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19460469 DMAPTFUBGTZCKK-GXTWGEPZSA-N 344.415 1.128 0 40 EDAB O=C(O)/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 2552090 HVIZYQYFAFBSOZ-UITAMQMPSA-N 340.744 1.942 0 40 EDAB Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)NN1CCOCC1 162961 IQNOPNQQXOKULN-UHFFFAOYSA-N 333.175 1.383 0 40 EDAB O=C(CN1CCOC1=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220762815 BKRXJDBYHJZNQG-NSHDSACASA-N 334.376 1.180 0 40 EDAB CC(=O)CSc1nc(C2CCCC2)nc2c1c(=O)n(C)c(=O)n2C 4341277 AYJMBZWSJZMDPS-UHFFFAOYSA-N 348.428 1.366 0 40 EDAB CCCN(Cc1ccnc(-c2ccccc2)n1)[C@@H]1COC[C@@H](O)[C@H]1O 643585975 KBAAZICSJWZGPA-KURKYZTESA-N 343.427 1.476 0 40 EDAB CC(C)c1nccc(N2C[C@H]3CN(c4cc(O)nc(O)n4)C[C@H]3C2)n1 1888844125 KJLVEHDXQUXOQG-TXEJJXNPSA-N 342.403 1.374 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)C5CC5)C[C@@H]4C3)n1)CCC2 1888869981 DKJPWVHNZGMGAL-STQMWFEESA-N 348.472 1.134 0 40 EDAB C[C@H](Sc1nncn1C)C(=O)N1CCN(Cc2ccccc2)CC1 22227876 QTRWXBIBTGOKOI-AWEZNQCLSA-N 345.472 1.640 0 40 EDAB CCNCc1cc(Br)c(OCC(N)=O)c(OCC)c1 8227123 SDAFYFNJUVBKFG-UHFFFAOYSA-N 331.210 1.821 0 40 EDAB Cn1cc2c(n1)[C@@H](COc1cccnc1)CN(C(=O)C1CC(O)C1)C2 1565541971 IOMHHDROAKUKPP-HNFVBEJKSA-N 342.399 1.091 0 40 EDAB CCOc1ccccc1NC(=O)CN1C(=O)[C@H](C)S[C@@H](C)C1=O 2710941 DSXIMSYFRUWQEU-QWRGUYRKSA-N 336.413 1.903 0 40 EDAB COC(=O)CCCn1ccc(NC(=O)c2ccc3c(c2)OCO3)n1 4786688 XLZIHAGERQQKPD-UHFFFAOYSA-N 331.328 1.817 0 40 EDAB COCCNC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1 575606009 GYDYELYAMDKGJR-UHFFFAOYSA-N 338.367 1.216 0 40 EDAB CO[C@@H]1CN[C@H](C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)C1 583617503 GMSFYJJALIWEIX-WMZOPIPTSA-N 342.443 1.541 0 40 EDAB COc1cccc(S(=O)(=O)NCc2cn(-c3cccnc3)nn2)c1 575617494 DDFVRQQYWUGWOO-UHFFFAOYSA-N 345.384 1.149 0 40 EDAB Cc1cc(OC2CN(C(=O)CCc3ccccc3)C2)n2ncnc2n1 618255696 HRSOEVJFUCWZSD-UHFFFAOYSA-N 337.383 1.655 0 40 EDAB CNS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1 6609429 WGFCECYREAHBJD-UHFFFAOYSA-N 330.369 1.723 0 40 EDAB COc1ccc(CN(C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 103246371 REQKHKLJXMVZLU-ZDUSSCGKSA-N 326.418 1.332 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3cnn(C)c3)ccc21 30496470 NADBGLGLRMHBNM-UHFFFAOYSA-N 348.428 1.150 0 40 EDAB CC(C)c1ccc(-c2nnn(CCN3C(=O)NC(C)(C)C3=O)n2)cc1 31444613 HSJSDUMNKNREMT-UHFFFAOYSA-N 342.403 1.794 0 40 EDAB C/C(N[C@@H]1CCCC[C@@H]1N)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 20331886 AVYJCAHDYPQLRZ-MBEGTZBVSA-N 348.447 1.531 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 40523652 VBXVPNFNHJQTNH-JSGCOSHPSA-N 341.429 1.246 0 40 EDAB CC[C@H](Cc1c[nH]c2ccccc12)NC(C)=C1C(=O)NC(=O)NC1=O 101040197 VJFMLFYQRHOLIK-GFCCVEGCSA-N 340.383 1.719 0 40 EDAB COC(CN(C)S(=O)(=O)c1ccc(Br)cc1)OC 288614 WXQBAKTVJDDWOJ-UHFFFAOYSA-N 338.223 1.689 0 40 EDAB CC[C@H]1CN(C(=O)c2ccc3c(=O)n(C(C)C)c(=O)[nH]c3c2)CCO1 32626006 RJDFQZKBIORDRI-ZDUSSCGKSA-N 345.399 1.522 0 40 EDAB COc1cc([C@@H](C)Nc2ncnc3[nH]cnc23)ccc1OCCO 52488759 OIFQCZWVBYVPBG-SNVBAGLBSA-N 329.360 1.906 0 40 EDAB COc1cc(C(=O)NCCOCCO)cc(OC)c1Br 32819021 HSGHDWYZGBVPOV-UHFFFAOYSA-N 348.193 1.205 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)c1cccc(N2CCNC2=O)c1 52615881 XSLLBRHXDPYFCP-INIZCTEOSA-N 337.379 1.950 0 40 EDAB CC1(C)NC(=O)N(Cc2ccc(CNC(=O)[C@@H]3CCCO3)cc2)C1=O 53127006 RBJRQNJIRILDPW-AWEZNQCLSA-N 345.399 1.312 0 40 EDAB CC(=O)Nc1ccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)cc1 41670382 YVGHMXVKTUMQOX-UHFFFAOYSA-N 329.312 1.144 0 40 EDAB CS(=O)(=O)c1ccc2nc(NC(=O)N3CCOCC3)sc2c1 152047 NALKKZCRHCROCE-UHFFFAOYSA-N 341.414 1.564 0 40 EDAB NC(=O)CSC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12 12389591 FASCBKMNXUBFHW-UHFFFAOYSA-N 340.412 1.544 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)NCCC1CCCCC1 53240324 GCSIJLXEXOPCSS-INIZCTEOSA-N 339.461 1.501 0 40 EDAB CC[C@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)CCS1 78966759 ZFCGUKHQNQNKRG-INIZCTEOSA-N 348.516 1.948 0 40 EDAB Cc1nccn1CCCCNC(=O)Nc1cccnc1-n1cncn1 78936873 HNPGSJTYBUZIEH-UHFFFAOYSA-N 340.391 1.769 0 40 EDAB CCCCNC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4cc(C)on4)C(=O)[C@H]13)O2 6760593 HAIBJUHUAJTFBZ-MBMVNNNZSA-N 331.372 1.186 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2C)ccc1OC 10008792 MBTFHUIJXDXJEG-UHFFFAOYSA-N 348.424 1.842 0 40 EDAB CC(C)OC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 100634644 CCSGGTFSSREGNN-AYMQEEERSA-N 333.409 1.982 0 40 EDAB C[C@@H](SCc1ccccc1F)C(=O)N[C@H]1CCS(=O)(=O)C1 24519341 AQTREVZVXQYELU-PWSUYJOCSA-N 331.434 1.751 0 40 EDAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCCN(S(C)(=O)=O)CC1 24776600 VJSIDEVRJSISOD-GFCCVEGCSA-N 344.408 1.087 0 40 EDAB Cc1ccc([C@H](NC(=O)CN2CCO[C@@H](CN(C)C)C2)C2CC2)cc1 106787240 VUPNUXHCRMMSDN-ICSRJNTNSA-N 345.487 1.825 0 40 EDAB COC(=O)N(C)CC(=O)NCCc1ccc(F)c(Br)c1 55865840 JQLSBDANVRFTGM-UHFFFAOYSA-N 347.184 1.945 0 40 EDAB CC(C)(CNC(=O)c1nccnc1N)N1CCc2ccccc2C1 25463772 UZPVQKDKDVUFOS-UHFFFAOYSA-N 325.416 1.626 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)N[C@H](C)Cc3ccco3)CCO2)n1 107139716 RMZFDANLYSRGTM-XUJVJEKNSA-N 347.419 1.215 0 40 EDAB Cc1c(C(=O)N2CCN(c3cnccn3)CC2)[nH]c2c1C(=O)CCC2 25834451 FJMLVHWUPQJYTR-UHFFFAOYSA-N 339.399 1.595 0 40 EDAB COc1cccc(OCCNS(=O)(=O)c2ncn(C)c2Cl)c1 26836387 RBUIUCKRBGQOCC-UHFFFAOYSA-N 345.808 1.439 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)on1 27036267 HBIVJRJSUDXMJR-WDEREUQCSA-N 344.371 1.992 0 40 EDAB CCn1c(CNC(=O)c2cccc(-n3cnnn3)c2)nc2ccccc21 57995986 DYRADYXVTFCLRF-UHFFFAOYSA-N 347.382 1.962 0 40 EDAB CN(CC(N)=O)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 48233655 GDADYBZWDIUFMA-UHFFFAOYSA-N 325.674 1.233 0 40 EDAB CC[C@](C)(CNC(=O)NCCc1csc(C)n1)N1CCOCC1 48236311 SCCUIHDDYIZYJJ-MRXNPFEDSA-N 340.493 1.794 0 40 EDAB CCn1cnnc1CNS(=O)(=O)c1ccccc1OC(F)F 58283359 UDUWCBTZCUSKKQ-UHFFFAOYSA-N 332.332 1.378 0 40 EDAB C[C@@H]1C[C@@H](Sc2nc3ccccc3c(=O)n2CCCO)C(=O)O1 12771211 REVFRDWUKHXSIG-ZWNOBZJWSA-N 334.397 1.575 0 40 EDAB O=C(OCCN1CCOC1=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 44938232 IVIFDLVGYJFWLG-CQSZACIVSA-N 348.355 1.413 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)CN1C(=O)COc2ccc(Cl)cc21 44909636 YFOOTIRCTYJTBX-WDEREUQCSA-N 338.791 1.701 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)C1=NN(c2ccccc2)C(=O)CC1 44934084 JMPCEOMUWANEBE-CYBMUJFWSA-N 325.372 1.571 0 40 EDAB CN(C)CCN(Cc1ccccc1)C(=O)CCSc1nnnn1C 58330585 IRDKTRCKTLAJME-UHFFFAOYSA-N 348.476 1.283 0 40 EDAB C[C@H](C(=O)Nc1cc(F)cc(N2CCOCC2)c1)S(C)(=O)=O 58420124 KVVVSOWDAZSBCP-SNVBAGLBSA-N 330.381 1.034 0 40 EDAB CC1(C)CCCN1C(=O)CCNC1=NS(=O)(=O)c2ccccc21 58430499 WGMSOHYKFSJNMK-UHFFFAOYSA-N 335.429 1.516 0 40 EDAB CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=O)CC1 2224442 JVYZXMOXLMCYKS-UHFFFAOYSA-N 344.371 1.094 0 40 EDAB CC(=O)Nc1cccc(-n2nnnc2S[C@@H]2CCCCNC2=O)c1 58666998 LCBNYBLSTIVRIJ-CYBMUJFWSA-N 346.416 1.382 0 40 EDAB C[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)c1ccc(F)cc1 12872631 BGOFJVYFQUPSPJ-LBPRGKRZSA-N 341.346 1.446 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 107716764 JGYJSSYJRPSCIM-YESZJQIVSA-N 340.383 1.460 0 40 EDAB Cc1ccsc1C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 29188891 DGQHTPQFNLUAKE-RYUDHWBXSA-N 346.474 1.225 0 40 EDAB COCCOCCCC(=O)N[C@@H](c1nnc2ccccn12)C(C)C 60360063 BEQDNCKRXBMYHW-MRXNPFEDSA-N 334.420 1.986 0 40 EDAB CCCNC(=O)CSc1nnc(-c2ccncc2)n1CCOC 2624727 MDXOMOZKJGUZNI-UHFFFAOYSA-N 335.433 1.605 0 40 EDAB Cc1c(C(=O)N(C)CC(N)=O)cnn1-c1ccc(C(F)(F)F)cn1 60565341 XXNYUESXCHGNDI-UHFFFAOYSA-N 341.293 1.152 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1ccco1 3594813 NXHKPTHWBNAMKZ-SFHVURJKSA-N 339.351 1.289 0 40 EDAB C[C@@H](NC(=O)CCc1n[nH]c(=S)[nH]c1=O)c1ccc(F)cc1F 12923020 FCNOKRSNKDDTSW-SSDOTTSWSA-N 340.355 1.916 0 40 EDAB COc1ccc(C2=CCN(C(=O)CN3CSCC3=O)CC2)cc1 49275884 CHIWSNABZSUNFO-UHFFFAOYSA-N 332.425 1.844 0 40 EDAB COc1ccc2c(C)c(CCC(=O)NCC(=O)O)c(=O)oc2c1C 4064042 FQQXJNIDXIUUQB-UHFFFAOYSA-N 333.340 1.552 0 40 EDAB biogenic Cc1cc(=O)oc2c(C)c(OCC(=O)NCCc3c[nH]cn3)ccc12 13570245 YGDRMNKZBJJQRM-UHFFFAOYSA-N 341.367 1.871 0 40 EDAB biogenic CC1=C(C(N)=O)[C@H](c2cccc(C)c2)N2NC(CCCO)=NC2=N1 4177101 BVVCFZOLVCOMRL-HNNXBMFYSA-N 327.388 1.156 0 40 EDAB O=C(NCCCn1cncn1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 65390765 LAKUVSGAVSCPJN-GASCZTMLSA-N 337.424 1.038 0 40 EDAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cnn(CC(N)=O)c2)c1 65423046 XHNHOAMHESPFOI-SNVBAGLBSA-N 347.375 1.268 0 40 EDAB COC(=O)CNC(=O)[C@H](C(C)C)n1cnc2cc(F)c(F)cc21 65588167 VZTIWKNXMBHNQJ-AWEZNQCLSA-N 325.315 1.801 0 40 EDAB Cc1cc(C)n2c(=S)n(CN3CCN(C(=O)C(C)C)CC3)nc2n1 14121612 ZVSSGURSEZNAGJ-UHFFFAOYSA-N 348.476 1.635 0 40 EDAB CC(C)(CNC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc2c(c1)OCO2 65624115 ICYBBMSFGXCTDQ-LBPRGKRZSA-N 347.415 1.600 0 40 EDAB CCN(CC)CCn1c(=O)[nH]c2sc(C(=O)O)c(C)c2c1=O 6665579 ZACVOOVLKYMCGO-UHFFFAOYSA-N 325.390 1.100 0 40 EDAB COC(=O)c1ccc2c(=O)n(-c3nc(Cl)ncc3F)cnc2c1 15019926 ALIAGNLHQPUVKG-UHFFFAOYSA-N 334.694 1.755 0 40 EDAB COC(=O)C1=NOC2(CCN(C(=O)C(=O)c3ccc(C)cc3)CC2)C1 96013650 UIFBZNZLLURUOJ-UHFFFAOYSA-N 344.367 1.488 0 40 EDAB CN(C[C@H]1CCCCO1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 71821459 MGPKAVYSBPLRBH-OJXHRBAXSA-N 332.400 1.591 0 40 EDAB CCc1cn[nH]c1C1CCN(C(=O)CCc2ccc(=O)[nH]n2)CC1 67803449 FUNQTAGJAZPKEM-UHFFFAOYSA-N 329.404 1.394 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc3ccccc3s2)C1=O 7473305 DZCATCAHSLCCNZ-INIZCTEOSA-N 344.396 1.955 0 40 EDAB CN(C(=O)CN1CC=C(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 7456966 WITYDPMBJKGJFB-QGZVFWFLSA-N 348.468 1.421 0 40 EDAB C[C@H](O)CN1CCN(C(=O)CCc2nc3ccccc3s2)CC1 71870990 KARNIPKJNFPJJM-ZDUSSCGKSA-N 333.457 1.754 0 40 EDAB C[C@H]1CCc2c(sc3ncnc(N4CCN(CCO)CC4)c23)C1 19792108 LCKSTZCLTMLFGT-LBPRGKRZSA-N 332.473 1.930 0 40 EDAB COc1ccnc(N2CCN(C(=O)COc3ccccc3F)CC2)n1 71819922 WNGUNFZKRSAKSY-UHFFFAOYSA-N 346.362 1.352 0 40 EDAB C[C@@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)cc1 7630675 URFBZOZLIYRMPI-GHMZBOCLSA-N 343.376 1.521 0 40 EDAB CN1CCO[C@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C1 81235743 UDLXHKDSIGVVNI-KRWDZBQOSA-N 345.443 1.260 0 40 EDAB Cc1nnc([C@H](C)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)o1 69010259 OHVMXSOQVUKBFG-NSHDSACASA-N 340.387 1.773 0 40 EDAB O=c1c2sccc2nc2n1Cc1nc3ccsc3c(=O)n1C2 8265273 KGMVKNLOAGXOOE-UHFFFAOYSA-N 328.378 1.639 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@H]2Cn2cc(C)cn2)ccc1=O 70039479 TWFCZHXRAHVPBM-HNNXBMFYSA-N 343.431 1.853 0 40 EDAB CCn1c(=O)n(C[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)c2ccccc21 71825090 DBCQHVFMDUCJEX-ZNMIVQPWSA-N 333.432 1.293 0 40 EDAB Cc1nc(-c2ccsc2)ccc1C(=O)NCCNS(C)(=O)=O 69451417 UPZQYSYZHRWULB-UHFFFAOYSA-N 339.442 1.398 0 40 EDAB C[C@@H]1CN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)[C@H](C)CO1 69484378 LEJNLVDPLSGCDL-CHWSQXEVSA-N 339.399 1.718 0 40 EDAB O=c1[nH]c(CCN2CCO[C@H](Cn3cccn3)C2)nc2ccccc12 69437092 YRWUZEMELZZLOT-AWEZNQCLSA-N 339.399 1.063 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 71865500 UGHUOVRYDQTAFX-NVXWUHKLSA-N 344.459 1.892 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)CNC(=O)OCC(F)(F)F 71847132 BGESGWITTQSIBM-VIFPVBQESA-N 334.298 1.202 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)[C@H](C)n3cccn3)CC2)n1 69560299 GUJLLMAIMCRATA-AWEZNQCLSA-N 344.419 1.290 0 40 EDAB CCn1nc(C)c(CN[C@@H]2CCCN(Cc3noc(C)n3)C2)c1C 71877260 CCLJUSTXVMXGTH-OAHLLOKOSA-N 332.452 1.965 0 40 EDAB COCCCN1C(=O)C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1=O 17877452 OZAKNOAVLOZJOW-MRXNPFEDSA-N 349.406 1.112 0 40 EDAB CC(C)n1c(SCC(=O)NCc2ccccn2)nnc1N(C)C 69744597 JAFOOQHNEIXCRB-UHFFFAOYSA-N 334.449 1.729 0 40 EDAB CN(Cc1ccncc1)C(=O)NCC(=O)N1CCc2sccc2C1 69704328 HVZZBDAPEJAXBF-UHFFFAOYSA-N 344.440 1.869 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cn1 71796878 YMHMFKISPFBNSY-XJKSGUPXSA-N 330.432 1.875 0 40 EDAB Cc1ccc(OC[C@H](O)CN2CCN(Cc3cnn(C)c3)CC2)cc1 69893829 HRBURSJVHPYCEB-GOSISDBHSA-N 344.459 1.286 0 40 EDAB COc1ccc(Cc2n[nH]c(NC[C@@H]3CCCO3)nc2=O)cc1OC 8769053 WXJQIVRUPZJODT-LBPRGKRZSA-N 346.387 1.364 0 40 EDAB COC(=O)c1cn(-c2cc(OC)ccc2OC)cc(C(=O)OC)c1=O 8730399 AKRFKUGYHFNZKJ-UHFFFAOYSA-N 347.323 1.428 0 40 EDAB CCO[C@H]1C[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C12CCCC2 71920774 NJFRPMHHCXWWKN-STQMWFEESA-N 332.466 1.074 0 40 EDAB CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 72288925 AHHFGJXWYNGANW-HIFRSBDPSA-N 348.399 1.571 0 40 EDAB CN(C)CCOc1ccccc1C(=O)N1CCC[C@H](n2cncn2)C1 72234939 RJLAZUMFMSGYHE-HNNXBMFYSA-N 343.431 1.696 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)S(=O)(=O)C(C)C 72234113 CVDBKOCNVZMEEZ-KBPBESRZSA-N 341.477 1.912 0 40 EDAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)n1C 72294074 LAQKHVSEEFLDCA-DOTOQJQBSA-N 326.400 1.564 0 40 EDAB CC[C@H]1CN(CC(=O)Nc2cc(C(C)C)no2)CCN1C[C@@H](C)O 72279743 DEKCVFIMXHVAIC-KGLIPLIRSA-N 338.452 1.514 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)[C@@H]1COc3ccc(Cl)cc3C1)CC2 97198073 HGNNOTFZVWKJLT-GXTWGEPZSA-N 346.818 1.922 0 40 EDAB CC(C)(C)c1n[nH]cc1CNC[C@H]([C@@H]1CCOC1)N1CCOCC1 97159494 WHHQTGURASUZFH-GDBMZVCRSA-N 336.480 1.534 0 40 EDAB CNC(=O)NCC(=O)N(Cc1ccccc1)Cc1cccc(C)n1 95445959 CCBSZBSGOGBJAA-UHFFFAOYSA-N 326.400 1.848 0 40 EDAB CN(C)c1nccc(CNC(=O)c2ccc(NC(=O)C3CC3)s2)n1 95463126 PRKWIWASNMXXGU-UHFFFAOYSA-N 345.428 1.883 0 40 EDAB CCn1c(CN2CCC(O)(C(=O)OC)CC2)nc2c(F)cccc21 95455790 XUHHGAYVJCVHMS-UHFFFAOYSA-N 335.379 1.695 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)NCCc1cccc2cccnc12 95436835 PRDJMNAEKLWNJV-HNNXBMFYSA-N 326.400 1.697 0 40 EDAB C[C@H](N[C@H](C)Cn1cncn1)c1ccc(S(C)(=O)=O)c(F)c1 95421174 NROGLULEAQWZHP-MNOVXSKESA-N 326.397 1.560 0 40 EDAB O=c1[nH]nc2ccc(NCC3(CN4CCOCC4)CCCCC3)nn12 95412160 HIXGAWSFTDTADR-UHFFFAOYSA-N 346.435 1.112 0 40 EDAB O=c1[nH]c(NC[C@H]([C@H]2CCOC2)N2CCOCC2)nc2ccccc12 97994997 LRRAKOSRXBWUNL-XJKSGUPXSA-N 344.415 1.072 0 40 EDAB Cc1cccc(CNC(=O)CN2CCN(Cc3ccncc3)CC2)c1 95981779 BGNXGWSAIQHDGY-UHFFFAOYSA-N 338.455 1.824 0 40 EDAB C[C@H](NC[C@@H]1COC(C)(C)O1)c1ccc(S(=O)(=O)N(C)C)cc1 95943522 PCLNZQJLQKDCFQ-GXTWGEPZSA-N 342.461 1.739 0 40 EDAB Cc1cc(C)n(-c2ccccc2CNC(=O)N2CCNC(=O)C2)n1 89595822 CMIRTISGCQUHQR-UHFFFAOYSA-N 327.388 1.131 0 40 EDAB O=C(CCn1cncn1)NCc1cc(Cl)c2c(c1)OCCCO2 89764277 UHTKORROFUKWRX-UHFFFAOYSA-N 336.779 1.799 0 40 EDAB O=C1CN(C(=O)N[C@@H]2CCc3c(Br)cccc32)CCN1 76086519 KZLDDWLIBPAIHR-GFCCVEGCSA-N 338.205 1.578 0 40 EDAB NC(=O)Cn1cc(Nc2ccccc2S(=O)(=O)C(F)(F)F)cn1 65554230 WHWQCGSJOOBUQW-UHFFFAOYSA-N 348.306 1.406 0 40 EDAB CS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1Cl 23692406 MWDUINRIQMBUOD-UHFFFAOYSA-N 344.820 1.081 0 40 EDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)Cc1cccc(F)c1 548203922 ZCTRDYKBZHRFQW-GWCFXTLKSA-N 331.365 1.125 0 40 EDAB O=C(Cc1csc(NC(=O)c2ncccn2)n1)NCC(F)(F)F 61969170 AIOXTKYZTFUZEI-UHFFFAOYSA-N 345.306 1.406 0 40 EDAB O=C(Cc1noc2ccc(F)cc12)N1CCN(C[C@@H]2CCOC2)CC1 514924058 SEDNZEWQNYYVMS-ZDUSSCGKSA-N 347.390 1.690 0 40 EDAB CCCCn1c(O)nnc1SC[C@@](O)(C(N)=O)c1ccccc1 521395133 OGOQWKGELAVSJK-HNNXBMFYSA-N 336.417 1.249 0 40 EDAB Cc1sc(-n2cnnn2)c(C(=O)NCCc2ccccn2)c1C 524735191 DWANALDVMHKMKE-UHFFFAOYSA-N 328.401 1.708 0 40 EDAB CNC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O 524730101 VXQDHNHXUGCZIP-NSHDSACASA-N 333.340 1.636 0 40 EDAB biogenic COc1ccc(-c2ocnc2C(=O)NC[C@@H](O)[C@@H]2CCCO2)cc1 529765583 BWQYBOAITIBEEA-KGLIPLIRSA-N 332.356 1.620 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 71902959 GXNGEGXJZDUXKF-ONGXEEELSA-N 342.383 1.457 0 40 EDAB Cc1cnc([C@@H](C)NC(=O)N2CCN(C[C@H]3CCOC3)CC2)s1 79080907 WMMVZMIBTLLTDI-ZIAGYGMSSA-N 338.477 1.876 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@](C)(O)C1CC1 62021786 UQQCHXRWHLUWLZ-OAHLLOKOSA-N 326.780 1.564 0 40 EDAB CC(=O)c1ccc(C(=O)N2CCC(N3CC(=O)N(C)C3=O)CC2)s1 675008297 PFUDCNSAMIXCKK-UHFFFAOYSA-N 349.412 1.449 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccon3)CC2)C12CCC2 74606648 DQKJBWZCMBYTMG-JKSUJKDBSA-N 348.447 1.850 0 40 EDAB CN1CCN(C[C@H](CC(=O)Nc2ccc(Cl)nc2)C(=O)O)CC1 72405469 LWMSNXDYGQJUAC-NSHDSACASA-N 340.811 1.012 0 40 EDAB COCCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2 71196003 ZTBWHDVXWBSMFJ-UHFFFAOYSA-N 326.418 1.540 0 40 EDAB CN(C)c1ncc(I)c([C@H]2CCCN2C)n1 72343517 KNUALRZZQUKPDG-SECBINFHSA-N 332.189 1.914 0 40 EDAB CNc1cc([C@@H]2CN(Cc3cccnc3NC)CCO2)nc(C)n1 72387843 UXWJFBZBUDNGIM-HNNXBMFYSA-N 328.420 1.837 0 40 EDAB CCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@@H]1CCCO1 217414189 STLHXNAJKYSGMF-LBPRGKRZSA-N 342.417 1.664 0 40 EDAB COCCCNc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)O 217564774 LTEZUOQDCVPUBP-UHFFFAOYSA-N 344.433 1.910 0 40 EDAB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCO[C@H](C)C2)c1 78611110 WYCJHOSLEYMAQX-LLVKDONJSA-N 347.458 1.116 0 40 EDAB O=S(=O)(NCc1ccccc1F)c1cnn(-c2ccccn2)c1 72238932 JRPDNRJCQQNEGV-UHFFFAOYSA-N 332.360 1.885 0 40 EDAB CC1(C)[C@@H](c2ccc(F)cc2)CCN1CCS(=O)(=O)CC(=O)O 530205026 BLIKOGMTHDJJLJ-CQSZACIVSA-N 343.420 1.893 0 40 EDAB CCN(CC(=O)N1CCOCC1)S(=O)(=O)c1cc(C)ccc1C 225934493 WNZBVKHLBFJFEX-UHFFFAOYSA-N 340.445 1.173 0 40 EDAB CCNC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC 224625539 ZCVPNVPJZYVAKU-UHFFFAOYSA-N 340.445 1.548 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 81552327 HNZJEGURAKRENJ-LLVKDONJSA-N 345.794 1.395 0 40 EDAB O=C([C@@H]1Cc2ccccc2CO1)N1CCC[C@@H](Oc2cccnn2)C1 225457332 PQNHGOPNVIAAPU-SJORKVTESA-N 339.395 1.988 0 40 EDAB C[C@@H](C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21)n1cccn1 331977039 RYDWDBZSVFCFJX-NSHDSACASA-N 335.385 1.273 0 40 EDAB Cc1cccc(CNC(=O)[C@H](C)S(C)(=O)=O)c1Br 191738146 XVBPFZCMXIULHZ-VIFPVBQESA-N 334.235 1.807 0 40 EDAB COC[C@H]1CN(C(=O)c2cccnc2)Cc2nnn(CC3CC3)c21 96045577 QZFGJFHTRROHGT-CQSZACIVSA-N 327.388 1.469 0 40 EDAB CC(C)N1CCCC[C@H]1C(=O)NCCC(=O)NCc1ccncc1 96421696 KCJRUFKHECFSFJ-INIZCTEOSA-N 332.448 1.467 0 40 EDAB Cc1ccc(CN2CCOC[C@@]3(C[C@H](Cn4cnnc4)CO3)C2)s1 96240604 BMIJFISDHZKRHU-NVXWUHKLSA-N 348.472 1.956 0 40 EDAB Cc1csc(CN2CC[C@@]3(C[C@H](NS(C)(=O)=O)CCO3)C2)n1 96208963 BMSWDGAIPVQNPH-TZMCWYRMSA-N 345.490 1.124 0 40 EDAB Cc1cccc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCOCC3)C2)n1 96038719 GDNRRKODEQCLCA-IEBWSBKVSA-N 345.443 1.230 0 40 EDAB O=C(Cc1c[nH]c2ccc(F)cc12)NS(=O)(=O)N1CCCC1 96407068 DQGVTAYOTWQUON-UHFFFAOYSA-N 325.365 1.306 0 40 EDAB CN(C)C(=O)COC[C@@H]1CC2(CCN(C3CCOCC3)CC2)CO1 96207906 VQJIBDLETSPJJU-INIZCTEOSA-N 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GUAOWARRVMALGW-UHFFFAOYSA-N 338.473 1.566 0 40 EDAB O=C(NC[C@@H]1COCCO1)c1ccc(COCC(F)(F)F)cc1 54613838 LNECZIWXERUAEP-CYBMUJFWSA-N 333.306 1.911 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1C 8336442 KRKZZHDAJKJAND-UHFFFAOYSA-N 327.402 1.768 0 40 EDAB O=S(=O)(NCc1ccc(Cn2cncn2)cc1)c1ccccc1 54798177 YVKQASTVUQQXJR-UHFFFAOYSA-N 328.397 1.805 0 40 EDAB CCc1ccc(OC[C@H](O)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 24090734 SQOBXLLBHYRBEK-GDBMZVCRSA-N 334.416 1.955 0 40 EDAB CC(=O)O[C@H]1CS(=O)(=O)C[C@H]1N(C(C)=O)c1ccc(Cl)cc1 1235617 RBBAQGBOALVWFW-KGLIPLIRSA-N 345.804 1.422 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCC(C)C)cc1 55408373 CGOXFHQOPNYVOP-GJZGRUSLSA-N 345.486 1.180 0 40 EDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCN1CCN(C(=O)C2CCC2)CC1 106798755 OPUIKXQJGQUTRP-RYQLBKOJSA-N 347.503 1.873 0 40 EDAB O=C(Cc1ccc(F)cc1)NCCNC(=O)c1nc(C2CC2)no1 21453661 JBCGCFNDJRCUSR-UHFFFAOYSA-N 332.335 1.175 0 40 EDAB Cc1nnc(NC(=O)NCc2ccc(N3CCOCC3)nc2)s1 43408414 PTFULEAFAQTIFU-UHFFFAOYSA-N 334.405 1.400 0 40 EDAB COc1ccc([C@@H](CNC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)N(C)C)cc1 106712833 ZPLXMYRPBNYYBO-QLFBSQMISA-N 334.416 1.771 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2ccc(C(F)(F)F)cc2)n(C)c1=O 12535746 HGDLTRXDDQSUFF-UHFFFAOYSA-N 338.289 1.501 0 40 EDAB Cc1ccc(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1 57210348 WMTPBIKJROCVFB-SFHVURJKSA-N 348.468 1.502 0 40 EDAB C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)N(C)C1CC1 57701400 DEZHDSOUDFNMMT-XJKSGUPXSA-N 349.500 1.881 0 40 EDAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(S(C)(=O)=O)s1 27664574 MGNHNHKRWVBQHF-ZETCQYMHSA-N 345.377 1.487 0 40 EDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)NCc1ccoc1 58264114 DPISPATZNRSOPP-UHFFFAOYSA-N 338.367 1.982 0 40 EDAB Cn1nc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)ccc1=O 58282103 QTBGAKAESGTROV-LBPRGKRZSA-N 341.289 1.263 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCc2ccc(F)cc2)no1 44938618 OKYMXZFYIRDGLX-NSHDSACASA-N 340.376 1.742 0 40 EDAB NC(=O)CN1CCC(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 45056963 GKNGZVCGKQOPRY-MNOVXSKESA-N 335.370 1.421 0 40 EDAB CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC(=O)NC1=O 100499181 LBFLUNOPOCZVDE-UWVGGRQHSA-N 328.365 1.028 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)C(=O)c2c(C)nn(C)c2C)c1 12730858 RTUNYWVOCPEFHP-UHFFFAOYSA-N 329.356 1.953 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 3309791 SIDYPNBRZGAPAL-UHFFFAOYSA-N 333.344 1.464 0 40 EDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1 100175025 JMJGZKPJQVBIJM-NUXNZHGMSA-N 327.336 1.696 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(C(N)=O)cc1 48326118 GIRUPKVKWLOVPD-BDJLRTHQSA-N 326.352 1.630 0 40 EDAB COC(=O)c1cnc(NC(=O)c2cnn(-c3ccccc3)n2)s1 12812606 ZKPGRDLHHYRHPG-UHFFFAOYSA-N 329.341 1.763 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3ccc(F)cc3Cl)CC2)N1 54705489 TZPKVJGQUJHXOM-UHFFFAOYSA-N 325.727 1.293 0 40 EDAB CCCOc1ccc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 29189449 XNLIPCQQQWVWQL-AWEZNQCLSA-N 340.445 1.629 0 40 EDAB O=C(OC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 45838555 JUNBHMSVOWZMAL-AAEUAGOBSA-N 333.340 1.490 0 40 EDAB COc1ccc(OCCOC(=O)c2cccc(-n3cnnn3)c2)cc1 3448798 PJMDPCVZZCGXSF-UHFFFAOYSA-N 340.339 1.907 0 40 EDAB CC(=O)N[C@H](CC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 3408717 HHLJVBVTMHUDFN-MRXNPFEDSA-N 325.368 1.992 0 40 EDAB O=S1(=O)N=C(NCCc2ccc3c(c2)OCCO3)c2ccccc21 3429741 YWKSAQYTMVOBEE-UHFFFAOYSA-N 344.392 1.739 0 40 EDAB Cc1nnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1 8994847 FIQLLFSVWXDMTL-UHFFFAOYSA-N 330.369 1.861 0 40 EDAB Nc1nc(NCC(=O)N2CCCc3ccccc32)cc(-n2cccn2)n1 92891877 YSJDXIBUMTZWNR-UHFFFAOYSA-N 349.398 1.636 0 40 EDAB Cc1nnc2n1C[C@@H](C(=O)Nc1ccc3nc(N(C)C)oc3c1)CC2 84296906 QWAKBNWTBSJTDS-NSHDSACASA-N 340.387 1.995 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)NCc1ccc(N2CCCC2)nc1 48856223 CMLMDCRZLYDGCZ-OAHLLOKOSA-N 347.463 1.202 0 40 EDAB Cc1nc2c3ccccc3nc(SCc3nc(N)nc(N)n3)n2n1 13229905 DZWFVVQXDGTLIY-UHFFFAOYSA-N 339.388 1.228 0 40 EDAB O=C(O)C1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 13261791 RZVMJLJAXUOEOW-INIZCTEOSA-N 344.411 1.401 0 40 EDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 4148348 XQPXUHQHASWBBE-UHFFFAOYSA-N 347.352 1.444 0 40 EDAB CCOc1ccc(Oc2nc(N(C)C)nc(N3CCCC3)n2)nn1 5016894 WJZSVTZVTRFILZ-UHFFFAOYSA-N 331.380 1.519 0 40 EDAB C[C@@H]1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)C[C@H]1O 93351285 HIYPTCHXJSTTQQ-RHSMWYFYSA-N 328.416 1.827 0 40 EDAB O=C(Cn1c(NCCO)nc2ccccc21)NCc1cccs1 5185559 ATFRJUHHZBDBRV-UHFFFAOYSA-N 330.413 1.818 0 40 EDAB CN(C[C@@H](O)c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 65464054 YSXGVMWRWMWMQX-ZWNOBZJWSA-N 337.363 1.858 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)Nc1ccc(N2CCOCC2)nc1 65444123 JFXITWPOHFFBJN-UHFFFAOYSA-N 344.419 1.704 0 40 EDAB O=C(Cc1noc([C@H]2CCn3cncc3C2)n1)NC1CCCCC1 96009430 KFZXJUQPOKJXEB-LBPRGKRZSA-N 329.404 1.988 0 40 EDAB COC(C)(C)CNS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 96005489 DWXRKSSEJVIJKE-CQSZACIVSA-N 346.493 1.512 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(CCOc3ccccc3F)C2)C1=O 84597367 AIGCWHKVRHSTNW-QGZVFWFLSA-N 335.379 1.609 0 40 EDAB CCN1CCC[C@@H]1CNc1ccc(S(=O)(=O)N2CCCC2)cn1 6787836 QNUCOXLFTGZHIW-CQSZACIVSA-N 338.477 1.762 0 40 EDAB COCCN1C[C@@H](C(=O)N2CCC[C@@H](c3nccs3)C2)CC1=O 67046901 PDSOUUDDTYEGIQ-OLZOCXBDSA-N 337.445 1.344 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)[C@H]2C(C)C)cc1 4985961 FMNXEUICOYVENJ-OAHLLOKOSA-N 339.461 1.965 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1CC 9494582 YFOUIVBBTGYKFR-SNVBAGLBSA-N 348.432 1.686 0 40 EDAB Cc1ccccc1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 7525285 KACPLILQCCNYJW-UHFFFAOYSA-N 332.425 1.544 0 40 EDAB Cc1ccsc1CN(C)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O 7898178 FKJKSUVVVDDLRB-UHFFFAOYSA-N 343.408 1.718 0 40 EDAB Cc1n[nH]c(C)c1CNC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 96485899 AFOUVKQADCFGRR-SECBINFHSA-N 333.358 1.805 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1 9537213 OVJQQKVQQJERSM-CYBMUJFWSA-N 340.401 1.016 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)cc1 69242873 WNFRGFCMZNKKGY-CQSZACIVSA-N 339.413 1.663 0 40 EDAB c1cnn(C[C@H]2CN(CCCOc3ccc4c(c3)OCO4)CCO2)c1 69391654 LGMRBQLYBKARQM-MRXNPFEDSA-N 345.399 1.782 0 40 EDAB CCc1nc(C(=O)NCCC(=O)OC)nn1-c1ccccc1Cl 69416848 ICSJVCLTDDTVHG-UHFFFAOYSA-N 336.779 1.776 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCN(Cc2nnnn2C2CC2)CC1 69418382 NVAIKZYEWDNNSJ-LLVKDONJSA-N 344.423 1.147 0 40 EDAB O=C(Nc1cccnc1)[C@H]1CCCN1S(=O)(=O)c1cccs1 69419807 JVGDSXQFWASMCX-GFCCVEGCSA-N 337.426 1.935 0 40 EDAB Cn1c(=S)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c1=O 17112577 AUTISJFJHICKSH-CYBMUJFWSA-N 328.397 1.865 0 40 EDAB biogenic COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1n[nH]c(=O)[nH]1 91617674 SZKRFNZLGYLPTR-LLVKDONJSA-N 345.186 1.751 0 40 EDAB CC(C)[C@@H](C(=O)N1CCN(Cc2cscn2)CC1)n1cncn1 71823526 RZRVHZBUBYLVRC-AWEZNQCLSA-N 334.449 1.276 0 40 EDAB Cc1nn(CCO)c(C)c1CNC1CCN(c2ccccn2)CC1 71825221 IONAEVIOCPPRDY-UHFFFAOYSA-N 329.448 1.646 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@@H](n3ccnc3)C2)CN1Cc1ccco1 69659576 BMRMUNOQZRCEOI-HUUCEWRRSA-N 342.399 1.688 0 40 EDAB CCOC(=O)[C@@H](Cc1ccccc1)N(C)S(=O)(=O)c1cccnc1 69659647 ALQBYGISGRATDF-MRXNPFEDSA-N 348.424 1.877 0 40 EDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1cnn(-c2ccccc2)c1 71857648 OAHPDFJKDSRZEL-DOTOQJQBSA-N 343.383 1.883 0 40 EDAB CC(C)(NC(=O)CCc1ccc(Br)cc1F)C(N)=O 71841952 SVOTVCBVFYUHPL-UHFFFAOYSA-N 331.185 1.901 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2C[C@H](O)COc2ccc(F)cc2)n1 69779443 KCYSCUFVXYOADU-IRXDYDNUSA-N 348.422 1.938 0 40 EDAB CCn1cc(CN2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cn1 91920301 AVIXXDOQTKAJJS-GASCZTMLSA-N 334.464 1.751 0 40 EDAB CCN(CC(=O)NCc1cccnc1)Cc1cccc2c1OCO2 71897027 DIJWJTYWTIPKHL-UHFFFAOYSA-N 327.384 1.949 0 40 EDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1[C@@H](O)C(Cl)(Cl)Cl 18061519 GKEJJXHPPBBOFZ-MRVPVSSYSA-N 342.610 1.319 0 40 EDAB CC(C)Oc1cccc(CN2CCC[C@@H](CNS(N)(=O)=O)C2)c1 69872453 WWIRTJKQGYQDBJ-HNNXBMFYSA-N 341.477 1.479 0 40 EDAB C[C@@H](Cn1cccn1)C(=O)N1CCCN(Cc2cscn2)CC1 69875059 VQBHATNVINYTMS-AWEZNQCLSA-N 333.461 1.710 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cn1 69967388 CMALELGXIOISGN-JQWIXIFHSA-N 344.337 1.494 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cncn1)N(Cc1cccs1)C1CC1 69922823 YPFFHCIOXPEBER-HNNXBMFYSA-N 345.472 1.995 0 40 EDAB C[C@@H](Cc1ccccc1F)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O 69931573 IEOLVQTWLACIOL-RYUDHWBXSA-N 330.425 1.831 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1cccnc1 9680522 XVFYNHHWFRAVSU-UHFFFAOYSA-N 348.428 1.331 0 40 EDAB CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc([C@H]2COCCO2)n1 95450948 VLRUQTIFBSYQEZ-GHMZBOCLSA-N 341.364 1.466 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNCc1cnc(N2CCN(C)CC2)nc1 95416632 MELVIPNRJOXBCY-FUHWJXTLSA-N 347.507 1.913 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)NCc1cccc(-c2nc[nH]n2)c1 72286041 MYWZVOTVXRQWRK-NSHDSACASA-N 336.417 1.301 0 40 EDAB O=C(Cc1ccn[nH]1)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 95962427 XESZOJMLFWTPAE-LBPRGKRZSA-N 337.763 1.227 0 40 EDAB Cc1noc(C2CC2)c1NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 95942298 KSXQEPMLUZSLSQ-CYBMUJFWSA-N 348.403 1.716 0 40 EDAB CCC(O)(CC)CN1CCN(C[C@@H](O)COc2ccccc2)CC1 95991060 XQMIIGIIWRKQMQ-QGZVFWFLSA-N 336.476 1.595 0 40 EDAB CNC(=O)c1ccc(NC[C@H]2CCCN(Cc3cccnc3)C2)nn1 74750636 LYOICAUFOVOUBT-OAHLLOKOSA-N 340.431 1.555 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)c3ccnc(N(C)C)c3)CCO2)n1 89289793 AYGDTZVYPVFYLB-GFCCVEGCSA-N 330.392 1.042 0 40 EDAB Cc1ccc(NC(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc1 75146846 HRTNADZDFYSUGB-UHFFFAOYSA-N 344.419 1.513 0 40 EDAB O=c1[nH]c2csnc2c(=O)n1Cc1ccc(Br)cc1 89787960 JIUQJJVSCUNTLT-UHFFFAOYSA-N 338.186 1.957 0 40 EDAB O=C1NC[C@@H](C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)N1 89878641 GOCFYLKLDAZPJU-NSHDSACASA-N 342.380 1.854 0 40 EDAB CC(=O)N[C@H](C(=O)NCc1nncn1-c1ccccc1)C1CCCC1 42496806 LQZWUCDVHDRIMK-KRWDZBQOSA-N 341.415 1.578 0 40 EDAB CC(=O)N1CC[C@@]2(CCN(S(=O)(=O)c3ccccc3F)C2)C1 63527792 BGFLDJRMLWYJDP-OAHLLOKOSA-N 326.393 1.459 0 40 EDAB C[C@@]1(CO)CCCN1Cc1nc(O)c2cnn(-c3ccccc3)c2n1 556814276 LBKOAFLWEWRNHP-SFHVURJKSA-N 339.399 1.868 0 40 EDAB Cc1c(CC(=O)N[C@H](CC(C)C)C(=O)O)c(=O)oc2cc(O)ccc12 11865391 DMYDXEMBBNXGLF-CQSZACIVSA-N 347.367 1.965 0 40 EDAB biogenic CCOC(=O)Nc1cc(S(=O)(=O)NCCCOC)ccc1OC 408588771 YNLBGGKVZDZZLD-UHFFFAOYSA-N 346.405 1.578 0 40 EDAB C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 57236 LBXHRAWDUMTPSE-UWVGGRQHSA-N 345.852 1.895 0 40 EDAB biogenic,world OC[C@@]1(NCc2nnc3n2CCCCC3)COc2ccccc2C1 528643321 DJYNZLNDAUQQLT-GOSISDBHSA-N 328.416 1.460 0 40 EDAB COc1cnc(C2(O)CCN(C(=O)c3ccncc3)CC2)c(OC)n1 72342901 VRCVZDZDAZMMJI-UHFFFAOYSA-N 344.371 1.013 0 40 EDAB Cc1c(Cl)cccc1NC(=O)Cn1nnc2c(C)n(C)nc2c1=O 32647449 WPOZANSQISQSSA-UHFFFAOYSA-N 346.778 1.434 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 218524565 GPAMHLUBMHNDQF-KZNAEPCWSA-N 330.453 1.899 0 40 EDAB O=C(COc1cccc(Cl)c1)Nc1cc(N2CCOCC2)ncn1 75166246 NSASXANKOZICBU-UHFFFAOYSA-N 348.790 1.984 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@]1(O)CCCc2occc21 1565523802 WORNKYQWXNJFQX-SFHVURJKSA-N 342.351 1.528 0 40 EDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@]1(O)CCCc2occc21 1565523588 RJCZENIRSIWSMV-LJQANCHMSA-N 346.427 1.926 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](C)c2nccc(N)n2)c1 567658779 GRMUKUFJFGOSCN-PWSUYJOCSA-N 328.372 1.906 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(CN)CO)cc1 218047355 JPTPFODCTOUOQV-KZNAEPCWSA-N 331.437 1.872 0 40 EDAB O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1cnc(O)c(Cl)c1 225802298 KHMGATQPRGLDND-UHFFFAOYSA-N 347.718 1.109 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cn1 49543282 NPIXDXZWLRRCOX-DZGCQCFKSA-N 346.431 1.409 0 40 EDAB biogenic CCOC(=O)C(Cc1cc2ccccc2[nH]1)(NC(C)=O)C(=O)OCC 196400521 MTXNPFZCMOHWOZ-UHFFFAOYSA-N 346.383 1.712 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CC[C@@H](N2C(=O)COC2=O)C1 225699933 KMWUQQHLIIKSKY-SNVBAGLBSA-N 338.747 1.542 0 40 EDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(CCc2ccccc2)c1=O 222655407 XJHSAHMHLUKOEI-UHFFFAOYSA-N 345.399 1.319 0 40 EDAB O=c1ccc2c(n1CCN1CCCC1)CC[C@@H](NC1CCOCC1)C2 96189766 LADYJVYWKRKISV-GOSISDBHSA-N 345.487 1.570 0 40 EDAB O=C(c1cnccn1)N1CCC2(CCN(c3ncc(F)cn3)CC2)C1 96157508 GECODUWJBUFCRU-UHFFFAOYSA-N 342.378 1.538 0 40 EDAB CCn1ccc(NC(=O)c2nnn(Cc3ccccc3)c2OC)n1 96183438 NLDANTIQMRVJIZ-UHFFFAOYSA-N 326.360 1.804 0 40 EDAB CCN1C(=O)C2(CCN(C(=O)[C@H]3CCOC3)CC2)c2ccccc21 96241384 HUVMEWCGPHAEBY-AWEZNQCLSA-N 328.412 1.950 0 40 EDAB Cc1cc(C)c(CNC(=O)CN(C)Cc2nnc(C)n2C)c(C)c1 96427173 FEXIAFPQJGBQTJ-UHFFFAOYSA-N 329.448 1.797 0 40 EDAB O=C(CCCCN1CCOCC1)N1CCc2ccccc2[C@H]1CO 331620455 RCLUCSMZBCXLOC-GOSISDBHSA-N 332.444 1.607 0 40 EDAB COCCNC(=O)[C@H]1CCC2(CCN(Cc3ccc(C)o3)CC2)O1 96109924 MXGBPCPOKZMIOW-MRXNPFEDSA-N 336.432 1.864 0 40 EDAB COCCNC(=O)C[C@]12COC[C@H]1CN(Cc1ccccc1OC)C2 96206243 KXAZDKKHNCZKMS-APWZRJJASA-N 348.443 1.296 0 40 EDAB O=C(Nc1nc[nH]n1)c1c[nH]c2ccc(OC(F)(F)F)cc2c1=O 95477738 QUUSGKNQAWZQPN-UHFFFAOYSA-N 339.233 1.797 0 40 EDAB CCOC[C@@H]1C[C@@]2(COCCN2C(=O)c2ccc3c(c2)OCO3)CO1 96078580 ZHFVRNHRQIUGQS-KBXCAEBGSA-N 349.383 1.452 0 40 EDAB Cc1nc(CN2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)cs1 96054642 HOHXMXYJFPTVMW-OLZOCXBDSA-N 344.506 1.012 0 40 EDAB COc1cc(N2CC[C@H]3OCC[C@@]3(CCNC(=O)N(C)C)C2)ncn1 96208334 PSOWQRNIVBYPKV-DYVFJYSZSA-N 349.435 1.132 0 40 EDAB CC(C)CN([C@H]1CCCc2cccnc21)S(=O)(=O)c1cnnn1C 330148324 MDMRVAUFPBRPPV-AWEZNQCLSA-N 349.460 1.934 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 95252473 VZGODBFIWOLJDC-UYAYXHRUSA-N 348.374 1.413 0 40 EDAB Cc1noc(C)c1C[C@H](C)NC(=O)NC[C@@H](C)N1CCOC[C@@H]1C 96415557 GZBNFEALGWAZDR-XQQFMLRXSA-N 338.452 1.631 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96107617 ZDCLUXHGDATQHV-GJZGRUSLSA-N 326.418 1.181 0 40 EDAB Cn1cc(CNC[C@@H]2OCCc3cn(Cc4ccccn4)nc32)cn1 96086891 ZDLHCRKKNYLPDL-KRWDZBQOSA-N 338.415 1.464 0 40 EDAB NC(=O)COc1cccc(CN2CCO[C@@H](c3nccs3)C2)c1 97200103 NWZHJLXUPPYNBG-CQSZACIVSA-N 333.413 1.581 0 40 EDAB CC(C)CN1C[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2C1=O 96245263 CIVILLWMQCVLJF-NEPJUHHUSA-N 328.459 1.483 0 40 EDAB C[C@@H]1CN(CCC2CCN(CCS(C)(=O)=O)CC2)C[C@@H](C)O1 96455932 ZBTBFNUUIVHOPU-HUUCEWRRSA-N 332.510 1.242 0 40 EDAB O=C(Cc1cccs1)N1CCn2cc(Cn3cccn3)nc2C1 96197349 CLFXRZLBCUQFEJ-UHFFFAOYSA-N 327.413 1.774 0 40 EDAB COc1nn(C)c2c1CCCN(S(=O)(=O)Cc1ccccc1)C2 96254488 HJVHLAGQCJWKPI-UHFFFAOYSA-N 335.429 1.707 0 40 EDAB COc1ccc(CN2CC3(C[C@@H](OCC(=O)N(C)C)CCO3)C2)cc1 248053428 XWBVVOPKRXTGED-KRWDZBQOSA-N 348.443 1.533 0 40 EDAB O=C([C@@H]1CN(CC2CCOCC2)Cc2ccnn21)N1CCCCO1 247876814 UCIJGEXVMVOZJE-INIZCTEOSA-N 334.420 1.220 0 40 EDAB CC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O 257213062 CGAROKYUTVMVMX-JFIYKMOQSA-N 334.416 1.332 0 40 EDAB COc1cc(CNC(=O)C(F)(F)C2(O)CCCC2)cc(OC)c1O 252508753 XSPOKRQVDHXTQX-UHFFFAOYSA-N 345.342 1.966 0 40 EDAB CN1CCO[C@@H](c2nccc(CNC(=O)Cc3cccc(F)c3)n2)C1 257256753 KMTHJMPWPOXSJL-MRXNPFEDSA-N 344.390 1.478 0 40 EDAB CCOc1nccn2c(CNC(=O)c3ccc4c(c3)OCO4)nnc12 253470807 AABGFICWKDHKSF-UHFFFAOYSA-N 341.327 1.182 0 40 EDAB Cn1cncc1CN1CCOC[C@H](Cc2ccc3[nH]ncc3c2)C1 257331778 XUFMOEGKKWVCDQ-OAHLLOKOSA-N 325.416 1.988 0 40 EDAB Cn1cc(CNCCCOCC2CC2)c(I)n1 585137344 UAJGFLWSJKNYDB-UHFFFAOYSA-N 349.216 1.931 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257297112 RFWZKWGBYIJMKW-OAHLLOKOSA-N 329.356 1.671 0 40 EDAB Cc1cc(CN2CCN(CC(=O)N(C)Cc3ccc(C)o3)CC2)on1 32491098 BGFOWKPKFFIVGO-UHFFFAOYSA-N 346.431 1.661 0 40 EDAB CNC(=O)c1cnc(C2(C)CCN(C(=O)c3cnccn3)CC2)s1 257295470 QYKTXXDHQHOXOL-UHFFFAOYSA-N 345.428 1.487 0 40 EDAB CC[C@@H]1CN(CCCN2CCN(C(C)C)CC2)C[C@]2(CCOC2)O1 252551072 TXSXLCFRNMHYCZ-MOPGFXCFSA-N 339.524 1.672 0 40 EDAB Cc1nc2ccc(N(C)C[C@@H](O)COCc3ccccc3)nn2n1 252481378 CKFHGUSWFRJOTP-OAHLLOKOSA-N 327.388 1.447 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 253491235 LRWBBSVTPNHBSN-CYBMUJFWSA-N 328.459 1.508 0 40 EDAB Cc1cc(O)nc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 257310716 UGFSCFHNIVTZFV-CYBMUJFWSA-N 335.385 1.253 0 40 EDAB CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NCc1cccc(Cl)c1 575420155 GLZVRYGVUJZLIR-OLZOCXBDSA-N 346.836 1.341 0 40 EDAB CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc2c(c1)C[C@@H](C)O2 585110712 GAUGFSSHMSFVPD-KZULUSFZSA-N 332.400 1.377 0 40 EDAB CC(C)C(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@H]1C 585096440 NTKWZMIYXKHHOL-CYBMUJFWSA-N 341.415 1.767 0 40 EDAB C[C@H]1c2nc(CC(=O)NC3CCC3)cn2CCN1C(=O)[C@@H]1C[C@H]1C 585097440 KDBFGZWLIHTIJK-TYNCELHUSA-N 330.432 1.654 0 40 EDAB COc1cc2c(cc1CN(C)[C@@H]1COC[C@@H](OC)[C@H]1OC)OCO2 585292065 WQUZHUBACMANSV-JLZZUVOBSA-N 339.388 1.285 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)N2CC[C@@H](c3ccsc3)C2)C1=O 675008147 DVTKOFBVRDVPBO-SNVBAGLBSA-N 343.430 1.355 0 40 EDAB CCN1C[C@@H](C(=O)N[C@H](c2ccccc2F)c2nccn2C)CC1=O 28983202 JAIIWMPZENHUQJ-BLLLJJGKSA-N 344.390 1.633 0 40 EDAB CCc1ccccc1NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 67558808 WLHBRUVFYKTVDM-ZDUSSCGKSA-N 325.434 1.795 0 40 EDAB C[C@H]1COCCN1C(=O)NCc1ccnc(OCC(F)(F)F)c1 45935940 UAKDAOVEFDKOQY-JTQLQIEISA-N 333.310 1.953 0 40 EDAB CS(=O)(=O)NCC1CCC(C(=O)NCCc2cccs2)CC1 49026035 BQTNKCCKRMKYKW-UHFFFAOYSA-N 344.502 1.762 0 40 EDAB CN(C(=O)Cc1cccc(O)c1)C1CCN(C[C@H]2CCOC2)CC1 76083524 GQUKQZZBCSOOOW-MRXNPFEDSA-N 332.444 1.894 0 40 EDAB COC(=O)c1cc(CN2CCN(C(=O)c3cc(C)oc3C)CC2)c[nH]1 92185817 NHOTWDARMGVEMA-UHFFFAOYSA-N 345.399 1.969 0 40 EDAB C[C@@H]1CN(CCNC(=O)CCn2c(=O)oc3ccccc32)C[C@@H](C)O1 40489261 ZQCCFVLSMCDPIZ-ZIAGYGMSSA-N 347.415 1.210 0 40 EDAB CCCCNC(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 5311371 UUSBQCTVEJSIOL-UHFFFAOYSA-N 337.401 1.675 0 40 EDAB O=C(NCc1ccccc1)C(=O)NC[C@H]1COC2(CCCCC2)O1 5350479 KEBAAPDJKJUIDE-HNNXBMFYSA-N 332.400 1.495 0 40 EDAB CN1[C@@H](C(=O)N2CCCC2)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 12129779 BBBZITVYOHPFCN-UONOGXRCSA-N 341.408 1.028 0 40 EDAB CCCC(=O)N1CCN(c2ccc(N3CCN(CC)CC3)nn2)CC1 12276904 JYKPLPPCADMDIH-UHFFFAOYSA-N 346.479 1.067 0 40 EDAB C[C@H]1CN(c2nc3nonc3nc2N2C[C@@H](C)O[C@H](C)C2)C[C@H](C)O1 15081640 XCBQQPPTFMOTFV-HUVAQWKNSA-N 348.407 1.240 0 40 EDAB Cc1ccc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)o1 19216631 VXQLJOYMPAHNEH-UHFFFAOYSA-N 328.416 1.872 0 40 EDAB O=c1cc([C@H]2CCN(CC3=CCCOC3)C2)nc(-c2ccncc2)[nH]1 19405854 PCKVPFVRDRSSGP-INIZCTEOSA-N 338.411 1.968 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930022 JNWWYYJMKDHYEQ-UHFFFAOYSA-N 334.825 1.495 0 40 EDAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(C)CCC2 19752522 YQHJALBJYYDFTI-OAHLLOKOSA-N 345.447 1.357 0 40 EDAB O=C(COC(=O)c1ccc2c(c1)OCCO2)NCc1ccccc1 4166523 SUEGOQSDCFDATC-UHFFFAOYSA-N 327.336 1.931 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCCO)cc2)C1 21713106 OYDUMWDGLHUOLF-BETUJISGSA-N 341.429 1.502 0 40 EDAB Nc1ncccc1C(=O)OCCCCN1C(=O)c2ccccc2C1=O 23425451 RZZQGQXUGSNDTI-UHFFFAOYSA-N 339.351 1.897 0 40 EDAB COc1ccc(CN2CCO[C@]3(CCCCN(C)C3=O)C2)c(OC)c1 2037983891 JZVGSXDFTVMLHP-LJQANCHMSA-N 348.443 1.917 0 40 EDAB O[C@H]1CCCC[C@H]1N1CCN(c2ccc(-n3cccn3)nn2)CC1 2087122236 ZMCOKDPXAYYBFC-CABCVRRESA-N 328.420 1.088 0 40 EDAB Cc1cc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)n2ncnc2n1 2087131240 QXYZUVGGSMAANQ-ZDUSSCGKSA-N 330.436 1.906 0 40 EDAB Cc1ncnc(C(=O)N2CC[C@H]3CN(C(C)C)CCO[C@H]3C2)c1C 1565546015 UFFDEFZBRLWCOV-HOTGVXAUSA-N 332.448 1.665 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CCCN([C@@H]2CCOC2)CC1 1565521891 DCHNPCIGJXDTAN-CYBMUJFWSA-N 332.429 1.628 0 40 EDAB NC(=O)c1nc(-c2ccco2)nc2c1[nH]c(=O)n2-c1ccccc1F 4518723 ZQBHHJNDGBLATG-UHFFFAOYSA-N 339.286 1.607 0 40 EDAB O=C(NCCCc1ccccc1)C(=O)NC[C@H]1COC2(CCCC2)O1 5352561 JUERHSGZNHMZTH-INIZCTEOSA-N 346.427 1.537 0 40 EDAB O=C(CC1CCCC1)N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055730238 OZVCHMHPPLZBLH-HUUCEWRRSA-N 347.459 1.795 0 40 EDAB O=C(c1ccc[n+]([O-])c1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575610525 VMNBGWSOFSYQEJ-ZDUSSCGKSA-N 334.763 1.447 0 40 EDAB O=C([C@H]1CCc2ccccc2O1)N1CCN(c2cccnc2)C(=O)C1 618256232 FKAMWMHULZPJEP-QGZVFWFLSA-N 337.379 1.651 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC(Nc2cccnn2)C1 585149110 XOUDAIUUAIFENE-UHFFFAOYSA-N 344.440 1.840 0 40 EDAB O=c1cc2c(nn1CC1CCN([C@@H]3CCCC[C@H]3O)CC1)CCC2 585501990 GVJUPFAHZSOQCF-QZTJIDSGSA-N 331.460 1.748 0 40 EDAB COCCc1nsc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 444828081 MMEONVVVAWLSPX-NSHDSACASA-N 326.466 1.858 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](CCC[C@H](N)C(=O)OC(C)(C)C)C(=O)O 43898881 XMSWNHNIMRSERP-QWRGUYRKSA-N 346.424 1.804 0 40 EDAB CCNc1cc(NCCNC(=O)Cc2ccc(OC)cc2)nc(C)n1 44213705 TUVBHHPXFGXAJZ-UHFFFAOYSA-N 343.431 1.996 0 40 EDAB CCCCn1nc(C(=O)NCCn2cnc3ccccc32)ccc1=O 50009817 GGMAATJLNFDZJZ-UHFFFAOYSA-N 339.399 1.823 0 40 EDAB Cc1ncc2c(n1)CC[C@@H](NC(=O)c1ccc3c(c1)OCCO3)C2 30390861 RNSKQHPTWTUYTF-CQSZACIVSA-N 325.368 1.844 0 40 EDAB NC(=O)[C@H]1CC(C(=O)Nc2cccnc2)=NN1c1ccc(F)cc1 40497243 QBKJILKGOHTZJN-CQSZACIVSA-N 327.319 1.279 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1N1CCOCC1 154007 SQLSADGEPLUWCO-UHFFFAOYSA-N 337.401 1.929 0 40 EDAB CCOC(=O)N1CCN(S(=O)(=O)N(C)c2ccccc2)CC1 40555886 CTOJHKFCWQEUCG-UHFFFAOYSA-N 327.406 1.142 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)N[C@@H]1CCS(=O)(=O)C1)CO2 40540219 LYHQRQNQQBALLP-CYBMUJFWSA-N 337.397 1.164 0 40 EDAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nc(N)cc(N)n1)C2 32095297 XLNOLHNBODTYIH-NSHDSACASA-N 332.385 1.558 0 40 EDAB Cc1cccc(OC[C@H](O)CN2CCC(N3CCNC3=O)CC2)c1 51449844 WZRQBNGGVXHRQM-MRXNPFEDSA-N 333.432 1.224 0 40 EDAB COc1ccnc(Nc2ccc(CC(=O)N3CCOCC3)cc2)n1 52077853 KNJRZEFQDJRKDS-UHFFFAOYSA-N 328.372 1.630 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(N2CCCCC2=O)cc1 32787524 PESRZDOXRIXQMW-ZDUSSCGKSA-N 331.416 1.848 0 40 EDAB Nc1nccnc1C(=O)NC1CCN(C(=O)C2CCCCC2)CC1 32924654 HTLIUSFMVUGDPI-UHFFFAOYSA-N 331.420 1.360 0 40 EDAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 32916366 RHANHFBNJGRXTR-BNOWGMLFSA-N 341.477 1.863 0 40 EDAB O=C(CN1CSCC1=O)NCc1ccccc1OC(F)(F)F 21975394 CYPNGYYIYMOFHY-UHFFFAOYSA-N 334.319 1.734 0 40 EDAB O=S1(=O)N=C(NC[C@@H](O)COc2ccccc2)c2ccccc21 79759 AXIQZPWUCQHXLF-GFCCVEGCSA-N 332.381 1.165 0 40 EDAB COc1ccc(-n2ncc3c(=O)n(CC(=O)NC(C)C)cnc32)cc1 1330822 VTAHZZJEIFMVLO-UHFFFAOYSA-N 341.371 1.115 0 40 EDAB C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)OCCO2 53493776 LNAZMRNGCGDACO-LLVKDONJSA-N 333.388 1.426 0 40 EDAB CC(C)[C@H](CNC(=O)/C=C/c1ccc2c(c1)OCO2)N1CCOCC1 41934265 YUHKKSUOSVSHAX-NBUZRDOWSA-N 346.427 1.902 0 40 EDAB Cc1ccc(CSCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 22548270 GKWPSQSODGVPDA-HNNXBMFYSA-N 327.471 1.922 0 40 EDAB COc1ccc(OC)c(NC(=O)C(=O)NCCc2ccccn2)c1 4344536 DKQGKBBONWWSPG-UHFFFAOYSA-N 329.356 1.396 0 40 EDAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N1CCC(C)CC1 6823755 MQUCEZINARPPNC-UHFFFAOYSA-N 341.458 1.793 0 40 EDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1 7215616 NRGAUABUIOOGID-UHFFFAOYSA-N 341.433 1.180 0 40 EDAB COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 3189697 NLDIBEIDOIFEEH-SECBINFHSA-N 327.387 1.017 0 40 EDAB CC(C)C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1Cc2ccccc2O1 42727115 PPNBKOIWWQKVPG-KGLIPLIRSA-N 340.445 1.070 0 40 EDAB CN(C)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 24643087 ITZFHOPEEBIUAU-UHFFFAOYSA-N 338.454 1.971 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CCO2)n1 107140325 JKQFVJWWUFTYMI-MJBXVCDLSA-N 344.419 1.365 0 40 EDAB Cn1c(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc2ccccc21 56407076 KUOJWLFLGQJKCS-UHFFFAOYSA-N 335.429 1.332 0 40 EDAB Cc1c(C(=O)N[C@H](C)C(=O)N2CCCCC2)[nH]c2c1C(=O)CCC2 57220018 XIDPZFXTPQZKBD-GFCCVEGCSA-N 331.416 1.973 0 40 EDAB COc1ccc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)c(OC)c1 27350411 JYEZTIOFMRJOGF-NSHDSACASA-N 346.435 1.730 0 40 EDAB COc1c([C@H]2CCCN2C(=O)CCNc2ncccn2)c(C)nn1C 72234380 DXGAEZDJYWSPLP-CYBMUJFWSA-N 344.419 1.693 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1cccnc1N1CCCC1 58169206 FWGGONLBPFGHSF-CABCVRRESA-N 345.447 1.667 0 40 EDAB Cc1nc(/C=C/C(=O)NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)cs1 58225995 DJYFGICLACBEDK-XMXMHJJKSA-N 337.445 1.607 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)Cn1ccnc1C 100724229 FNVLRWOBDSYPGB-ZFWWWQNUSA-N 336.399 1.831 0 40 EDAB Cc1nc(CCNC(=O)NC[C@@H](O)CN2CCCCC2)cs1 44954809 FIDFELQMNHRNNB-CQSZACIVSA-N 326.466 1.140 0 40 EDAB C[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)S(C)(=O)=O 44951699 ISRGAQFLHSITSA-OLZOCXBDSA-N 328.434 1.356 0 40 EDAB O=C(NCCN1CCOCC1)c1cnn(-c2ccccc2Cl)c1 58393880 TXLQSVJRKPSYMK-UHFFFAOYSA-N 334.807 1.588 0 40 EDAB Cc1ccc(C(=O)NC2CCN(CCCn3cncn3)CC2)s1 58340979 ISDGBZCEMZUSFD-UHFFFAOYSA-N 333.461 1.933 0 40 EDAB CCN(CC(=O)Nc1cc(OC)ccc1OC)C[C@@H](C)C(=O)OC 58428291 SFXFXPZQZPPLBO-GFCCVEGCSA-N 338.404 1.773 0 40 EDAB CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)C1CCCC1 58419300 DUEYZFMAUSXSIN-INIZCTEOSA-N 328.416 1.898 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(CCO[C@@H]3CCCC[C@H]3C)C2)C1=O 84691965 MZUSIXLBNRBPKO-IIDMSEBBSA-N 337.464 1.986 0 40 EDAB Cc1ncsc1C(=O)NCCNS(=O)(=O)c1ccccc1 59007984 RBQZXHJPSUPYRY-UHFFFAOYSA-N 325.415 1.160 0 40 EDAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1C[C@@H](O)COCc1ccccc1F 24210081 BMYBLDKAMZLJRA-ILXRZTDVSA-N 335.375 1.878 0 40 EDAB CC(C)C(=O)Nc1cc(C(=O)Nc2cccc(C(N)=O)c2)nn1C 46089008 XVLIOTMXRWACAQ-UHFFFAOYSA-N 329.360 1.366 0 40 EDAB COC(=O)CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 60099364 PFTSLSVSQCPWEF-CQSZACIVSA-N 340.788 1.558 0 40 EDAB COC(=O)c1ccc(NC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)cc1 95458159 CYRCZGBUWVTXAF-WMLDXEAASA-N 334.372 1.933 0 40 EDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2ccccc2)CC1 2643216 MCCXVUWYFIUJQI-IAGOWNOFSA-N 325.412 1.717 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1Cc1cccc(F)c1 46626546 LBQVENGMVUWHKX-UKRRQHHQSA-N 325.405 1.794 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 48301770 KPEZCFBJMQDESF-SUMWQHHRSA-N 349.456 1.939 0 40 EDAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c(O)c1 3905505 VEWYEXMJTSUDFR-AWEZNQCLSA-N 330.344 1.844 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)N1CCO[C@H]2CCCC[C@H]21 65399451 NGTIMTBLXCUIEU-KGLIPLIRSA-N 328.376 1.838 0 40 EDAB CC[C@H]1CCCC[C@H]1NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 65428870 ZKBXRNGQMXSCNG-SMDDNHRTSA-N 344.415 1.331 0 40 EDAB Cc1nc2n(c1C)CCN(CCNS(=O)(=O)c1ccccc1)C2 65474456 SGHDQJFPLOMTOZ-UHFFFAOYSA-N 334.445 1.294 0 40 EDAB CC(C)(C)[C@H](NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)C(N)=O 65591105 GQENBWRIDZUMFX-OAHLLOKOSA-N 344.415 1.181 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CCN(CC(F)(F)F)CC1 14138114 LPWLFKSYWWXWOR-UHFFFAOYSA-N 345.321 1.805 0 40 EDAB COCC(=O)N1CC[C@]2(C1)OCc1cnc(Nc3ccccc3)nc12 306132205 LBPXFCGUPIKRDR-GOSISDBHSA-N 340.383 1.824 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)COc1cccc(F)c1)C2=O 6994451 VIIARICJLGAEBB-UHFFFAOYSA-N 349.362 1.736 0 40 EDAB CNC(=O)c1ccc(N[C@@H]2CCCN(c3ccccc3F)C2=O)nn1 90149419 ACZOGFCNSJJGMS-CYBMUJFWSA-N 343.362 1.583 0 40 EDAB CNC(=O)c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2=O)nn1 90147938 LSEMXTPEQGEUQO-OAHLLOKOSA-N 339.399 1.439 0 40 EDAB Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)n1 9468449 ILROQUMOSSQNKU-NSHDSACASA-N 337.376 1.835 0 40 EDAB Cc1c2c(n(Cc3ccco3)c1C)N=CN1CCS(=O)(=O)N=C21 7777887 AYVQVQFZGXWLEX-UHFFFAOYSA-N 332.385 1.812 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(-n2cnnn2)cc1 7980239 BSXSZUGGMCNYOQ-UHFFFAOYSA-N 347.338 1.011 0 40 EDAB CCCNC(=O)[C@@H]1CN(C(=O)c2cnc(C)cn2)c2ccccc2O1 8074244 UCLKJAMQXFTPAT-INIZCTEOSA-N 340.383 1.719 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cn1 8105978 ZPYAIQPCVXARQS-UHFFFAOYSA-N 336.369 1.908 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2sccc2Br)C[C@@H](C)N1 70076825 MSIHTURKEDWQCH-HTQZYQBOSA-N 339.280 1.882 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N1CCC[C@H]1c1ccccc1 71803265 HHOKSTRWSWXXCI-HNNXBMFYSA-N 339.461 1.863 0 40 EDAB COc1ccc2cc(CNCC(=O)N3CCN(C)CC3)ccc2c1 71837128 JWVNYGXEKLLVKH-UHFFFAOYSA-N 327.428 1.712 0 40 EDAB C[C@@H](CNC(=O)NCc1nnc2n1CCC2)N1CCc2ccccc21 69377803 YDJAYRBIZHQNKF-ZDUSSCGKSA-N 340.431 1.475 0 40 EDAB Cn1cc(CCNC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)cn1 69348787 YTTDIBJINGJBID-CYBMUJFWSA-N 338.477 1.417 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)NCCOc1cccc(F)c1 69484838 IJWPLHQHDJKBOZ-OAHLLOKOSA-N 347.394 1.077 0 40 EDAB Cc1cc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nc(N)n1 69439851 SWPKJBYIFOVTAC-UHFFFAOYSA-N 346.479 1.184 0 40 EDAB CCn1cc(CN2CCCN(C(=O)COc3cccnc3)CC2)cn1 69490068 VZKKIPXBIDDPOK-UHFFFAOYSA-N 343.431 1.411 0 40 EDAB Cc1cc(N(C)[C@@H]2CCCN(Cc3noc(C)n3)C2)n2ncnc2n1 71859517 RVQIICZJIZPSPW-CYBMUJFWSA-N 342.407 1.225 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)CC2)nn1 71860382 NFJMXTUYZZUIKV-CVEARBPZSA-N 340.431 1.361 0 40 EDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(C[C@@H](O)c2ccco2)CC1 69538704 IDOSDADMKKBCIX-GXTWGEPZSA-N 332.404 1.952 0 40 EDAB Cc1ccc(N2CCCN(C(=O)c3cn4cccnc4n3)CC2)nn1 71860378 KUKXDBKGOHLKAR-UHFFFAOYSA-N 337.387 1.180 0 40 EDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCCc2ccc(F)cc21 69620080 JGKMRWHSJDWSSY-UHFFFAOYSA-N 340.358 1.992 0 40 EDAB Cc1noc([C@H](C)N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1 69628433 KBBXSQNGMDWMRB-GOEBONIOSA-N 346.431 1.497 0 40 EDAB O=C(NCC1CCCC1)Nc1cnn(C[C@@H](O)CN2CCCC2)c1 69698523 LLOIYIZRXNEJPP-INIZCTEOSA-N 335.452 1.652 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 71806083 ZCCPJALAJPTAMN-MRXNPFEDSA-N 344.459 1.736 0 40 EDAB COc1ccc(CCC(=O)NC[C@@H](C)N2CCN(C)CC2)cc1OC 71867496 YRICMLVBQGHAPZ-OAHLLOKOSA-N 349.475 1.389 0 40 EDAB CC[C@H]1CN(C[C@H](O)COc2ccc(C)cc2)CCN1CCOC 69738037 WVYAGOKYDNCKJY-ROUUACIJSA-N 336.476 1.777 0 40 EDAB CCOc1cc(C)nc(N2CCN(Cc3nccn3CC)CC2)n1 69808006 DPRYZHWIFYUPFR-UHFFFAOYSA-N 330.436 1.722 0 40 EDAB CCCc1noc2nc(C)cc(C(=O)N3CCN(C[C@@H](C)O)CC3)c12 69818664 JXKLJHNNUNBAQG-CYBMUJFWSA-N 346.431 1.622 0 40 EDAB CC1CCN(C(=O)C2CCN(C(=O)NC[C@H]3CCCO3)CC2)CC1 69895605 DONLYDRTBLFKPY-MRXNPFEDSA-N 337.464 1.846 0 40 EDAB Cc1ncc2c(n1)CN(CCCc1nnnn1-c1ccccc1)CC2 69902140 LRISJRMKYCUOPT-UHFFFAOYSA-N 335.415 1.752 0 40 EDAB CC(C)[C@H](NC(=O)CN1CCN(CCO)CC1)c1cccs1 69930112 VYPWURPKJXLIIA-INIZCTEOSA-N 325.478 1.171 0 40 EDAB Cc1csc(N2CCN(CC(=O)Nc3ccncc3)C[C@@H]2C)n1 69930048 RSTVSZJWENQWBG-ZDUSSCGKSA-N 331.445 1.996 0 40 EDAB CC[C@@H]1CN(Cc2cc(=O)n3cccc(C)c3n2)CCN1CCOC 69951395 NAAHYNNFWFFLLD-QGZVFWFLSA-N 344.459 1.546 0 40 EDAB COc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1O 9645145 WMVXANOQBUVKLE-UHFFFAOYSA-N 325.324 1.749 0 40 EDAB C[C@@H](CS(C)(=O)=O)NC(=O)c1cnc(Cc2ccccc2)s1 87293967 FYPFFCXGZXNGQY-NSHDSACASA-N 338.454 1.897 0 40 EDAB C[C@H](CO)[C@H](C)NC(=O)CNC(=O)c1ccc(Br)cc1 97095512 UTJSAQCNBJDHQZ-ZJUUUORDSA-N 343.221 1.312 0 40 EDAB Cn1cnn(CC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1=O 97047749 MTGDVEKYCYBMCV-UHFFFAOYSA-N 348.366 1.535 0 40 EDAB CS[C@H]1CCCC[C@H]1NCc1cnc(N2CCN(C)CC2)nc1 97015944 SHYILRSBJUALSQ-CVEARBPZSA-N 335.521 1.992 0 40 EDAB C[C@H](N[C@H](C)c1ccc(F)c(F)c1)C(=O)N1CCC(C(N)=O)CC1 97032992 XKEIKMFJPVXOHK-MNOVXSKESA-N 339.386 1.728 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cnc(CC(C)C)s2)C1 95999503 OWAPPCSNOKXWID-CYBMUJFWSA-N 331.507 1.855 0 40 EDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccc2cc[nH]c2n1 95997780 DDJFNEZHSBVCEA-GDBMZVCRSA-N 344.415 1.030 0 40 EDAB CC(C)N1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 95941554 ZMGOFVDERWVJHJ-GOSISDBHSA-N 332.492 1.432 0 40 EDAB CCn1c(C)nnc1CN(C)[C@H]1CCN(CCc2ccncc2)C1 89300523 JGPKNEDFIWFVRP-KRWDZBQOSA-N 328.464 1.750 0 40 EDAB CS(=O)(=O)NCc1ccc(C(=O)N2CCc3ccc(F)cc32)o1 89486821 HVWRDZKSRNVKPE-UHFFFAOYSA-N 338.360 1.671 0 40 EDAB Cc1c(Br)cccc1C(=O)NCCc1n[nH]c(=O)[nH]1 75093027 OUBYSSAJQHIBNH-UHFFFAOYSA-N 325.166 1.141 0 40 EDAB O=C1[C@@H](n2c(=O)[nH]c3ccccc3c2=O)CCN1CC(F)(F)F 89866514 WZGGJQNRZPIWMX-JTQLQIEISA-N 327.262 1.026 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(Cc3nnc(OCC)s3)CCO2)n1 76049269 SCJVTLDUPJMGQK-JTQLQIEISA-N 338.437 1.581 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)n2)CC1 68658410 GKYJKLPOWRTXRG-NSHDSACASA-N 329.322 1.928 0 40 EDAB O=c1c2cnc(N3CCCCCC3)nc2nc(O)n1Cc1ccco1 67264331 YABRVAFTCXBRQN-UHFFFAOYSA-N 341.371 1.914 0 40 EDAB Cn1cc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2cccnc2)cn1 306138730 SFXBHEFEYZFSOF-MOPGFXCFSA-N 341.459 1.333 0 40 EDAB O=C(N[C@H]1CN(Cc2ccoc2)[C@H]2CCCO[C@@H]12)c1cccnc1 306140142 ULRYUGHGHXINDH-ULQDDVLXSA-N 327.384 1.836 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3ccc(C)s3)C[C@@H]21 306140179 UMHUGUQYKPTOCL-BPLDGKMQSA-N 344.502 1.443 0 40 EDAB COc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@]12C[C@H]1COC2(C)C 530152881 NHRZXUAOOSXLST-BONVTDFDSA-N 341.385 1.239 0 40 EDAB O=C(CC1CCCCC1)NCCS(=O)(=O)N1CCSCC1 71884339 NLADHYNKEHVSME-UHFFFAOYSA-N 334.507 1.452 0 40 EDAB C[C@@H](C(=O)NC1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 78927061 SNTWCCKQRXMZMO-AWEZNQCLSA-N 335.423 1.631 0 40 EDAB C[C@H](COc1ccccc1)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 78442354 WCSMUERNTIUGOY-KGLIPLIRSA-N 341.429 1.669 0 40 EDAB O=C(/C=C/c1ccco1)N1CCCc2cnc(N3CCOCC3)nc21 675008181 GYIFEKZTRQBJSO-AATRIKPKSA-N 340.383 1.899 0 40 EDAB COCCN(CC(=O)N(C)C)C(=O)c1coc(-c2ccccc2)n1 78066974 BYRDPMYUSYRULI-UHFFFAOYSA-N 331.372 1.518 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCCC1 32975569 YGPTZRWTKJPGLL-AWEZNQCLSA-N 328.409 1.751 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)CC1 78497948 LAKOQGFHFGMWSE-INIZCTEOSA-N 344.415 1.374 0 40 EDAB CCCC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2cnccn2)CC1 71883203 IBCPQEUHCNQVHX-HNNXBMFYSA-N 345.447 1.306 0 40 EDAB O=C1C[C@H](N2CCOCC2)C(=O)N1c1ccc(Cl)cc1Cl 36635175 QCTXVAWACQSZOG-LBPRGKRZSA-N 329.183 1.958 0 40 EDAB CN(C(=O)CCC(=O)c1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 37122129 MUQGHGLEGJGRHN-INIZCTEOSA-N 349.452 1.784 0 40 EDAB C[C@H]1CN(C(=O)NCc2nc(COc3ccccc3)n[nH]2)[C@H](C)CO1 185903306 CMRYSNZTHLGMEC-OLZOCXBDSA-N 345.403 1.703 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1 72334903 OSLMCPDXYVJQNQ-INIZCTEOSA-N 343.383 1.846 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCC2)cc1C 72595196 PLJWNLBPGIXQOS-GFCCVEGCSA-N 340.445 1.729 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc2c(c1)OCCO2 40039340 YNFGUFHNRZKMTE-UHFFFAOYSA-N 341.367 1.942 0 40 EDAB O=C(NC[C@@H]1CCCN(C(=O)CCc2cccs2)C1)[C@H]1CCCN1 225481052 QKKZZMRXNOKQAA-GOEBONIOSA-N 349.500 1.788 0 40 EDAB O=C1c2cnc(N3CCCCC3)nc2CN1CCCN1CCOCC1 46087051 WHQVZCSMLCZFFW-UHFFFAOYSA-N 345.447 1.145 0 40 EDAB CCOC(=O)C1=C(CN(C)Cc2ccc(F)c(F)c2)NC(=O)NC1 40496353 HTRDHSKRLFXQGA-UHFFFAOYSA-N 339.342 1.527 0 40 EDAB Cc1noc([C@@H](C)N2CCN(c3ccc4nc(C)nn4n3)CC2)n1 225540288 VFTQSCDOYRNAKG-SNVBAGLBSA-N 328.380 1.007 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2nc3ccccc3n2CC)C1 195555863 XLRJKWFJRKYZGY-CYBMUJFWSA-N 336.461 1.570 0 40 EDAB O=C(O)[C@H]1c2ccccc2CCN1C(=O)CCn1ccccc1=O 324717151 DVFTUJWRQDFBAG-QGZVFWFLSA-N 326.352 1.449 0 40 EDAB COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2sccc2C)C1 190832426 QMHJRNUQMKAXKW-CQSZACIVSA-N 346.518 1.929 0 40 EDAB O=C(C1CCOCC1)N1CCN2C(=O)N(c3ccccc3)C[C@H]2C1 85436054 PSUXKMHQVOVZRN-MRXNPFEDSA-N 329.400 1.566 0 40 EDAB biogenic,in-vitro O=S(=O)(C1CC1)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048414 FNCSAXLWFJIEAX-IUODEOHRSA-N 338.433 1.004 0 40 EDAB CS(=O)(=O)N1CC[C@@H](NC(=O)NCCc2cccc(Cl)c2)C1 582850475 VKIGSRKRLOBGCN-CYBMUJFWSA-N 345.852 1.216 0 40 EDAB Cn1cc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)cn1 96048976 YUNVXHMITZZATR-UHFFFAOYSA-N 347.488 1.744 0 40 EDAB Cc1cnc(C(=O)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)cn1 96067057 SMEADPYENMGKRL-CQSZACIVSA-N 337.387 1.150 0 40 EDAB O[C@@H](CNc1ncccc1I)COCC1CC1 96419417 GJIFFMAKKUNHEZ-JTQLQIEISA-N 348.184 1.886 0 40 EDAB CNC(=O)[C@H]1CC2(CCN(C(=O)[C@H]3CCOC3)CC2)c2ccccc21 96079303 OBYUWLIYACAWAT-HOCLYGCPSA-N 342.439 1.817 0 40 EDAB CN(C)Cc1cnc2n1CCN(C(=O)Cc1cccc(F)c1)CC2 96196797 QFQODWUGCMOIIO-UHFFFAOYSA-N 330.407 1.711 0 40 EDAB CCNC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 96414352 KFRIBJFNXCAFDU-GFCCVEGCSA-N 345.378 1.395 0 40 EDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2cccc(O)c2)o1 96113735 ISPZPOGFGNOFPF-ZDUSSCGKSA-N 334.324 1.892 0 40 EDAB biogenic Cc1cc(CN2CCC[C@]3(C[C@@H](OCC(=O)N(C)C)CO3)C2)no1 96206973 GKYFWFXOWLSBQO-WBVHZDCISA-N 337.420 1.211 0 40 EDAB O=C(Cc1cc(Br)ccc1F)N1CCCS1(=O)=O 97377714 CFPXLOOSOKVCEM-UHFFFAOYSA-N 336.182 1.693 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCCOC1 96422429 ZOVGKBMQECGAMG-IRXDYDNUSA-N 331.460 1.740 0 40 EDAB Cc1cc(NC(=O)c2[nH]nc3c2CCC3)n([C@@H]2CCS(=O)(=O)C2)n1 95472948 VNBJGYVDOVTZTB-SNVBAGLBSA-N 349.416 1.015 0 40 EDAB CO[C@@](C)(CNS(=O)(=O)c1cn(C)cn1)c1ccccc1F 96123612 RFUBJDWWERYHTR-AWEZNQCLSA-N 327.381 1.399 0 40 EDAB C[C@H](Cc1c(F)cccc1F)NC(=O)CSc1nnc(N)n1C 96428845 MVLNBLKSUNLMQH-MRVPVSSYSA-N 341.387 1.515 0 40 EDAB CC(C)C(=O)N1CC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225818 SCWHHGAOJLNIIK-KRWDZBQOSA-N 330.388 1.101 0 40 EDAB Cc1ccc(NC[C@H]2CO[C@@]3(COCCN(C(=O)C4CC4)C3)C2)nn1 96240567 QFICVPYDVIMRMO-KSSFIOAISA-N 346.431 1.241 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCCN(C(=O)[C@@H]2CCCOC2)CC1 96451563 CWNIFNVEGGQZRO-MRXNPFEDSA-N 348.418 1.856 0 40 EDAB Cn1ccnc1CN1CCC[C@]2(COCCN(c3nncs3)C2)C1 96229255 YIUBFLZFYILBHY-INIZCTEOSA-N 348.476 1.391 0 40 EDAB CN(C[C@H](O)C(F)(F)F)C(=O)NCCn1c(=O)oc2ccccc21 96502855 BQMWLKZUVCRHNY-NSHDSACASA-N 347.293 1.159 0 40 EDAB CCCS(=O)(=O)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 96042321 GAZCYDUKIFAOQN-MELADBBJSA-N 344.408 1.571 0 40 EDAB Cn1ccnc1CN1CCO[C@@H]2[C@H](CNc3cccnc3)CC[C@@H]21 248151506 UIMFYXXDDXGCSG-QILLFSRXSA-N 327.432 1.907 0 40 EDAB CCOC[C@@H](NC(=O)Nc1[nH]nnc1C(=O)N1CCCC1)C(C)C 585119351 DISWIORCOVMUJV-LLVKDONJSA-N 338.412 1.223 0 40 EDAB CCCCc1nc(CN2CCN(C(C)=O)C[C@@H](C(=O)N(C)C)C2)c[nH]1 257209268 BPRUCQNQXRIGPH-HNNXBMFYSA-N 349.479 1.121 0 40 EDAB CNc1cc([C@H]2CCCN2C(=O)C(C)(C)n2cncn2)nc(C)n1 257300902 RWDSUFFWWFIFMZ-CYBMUJFWSA-N 329.408 1.517 0 40 EDAB CN(C)CC(=O)N1CCC(c2ccnc(Nc3ccccn3)n2)CC1 257237007 HEURLMFQOWWWPQ-UHFFFAOYSA-N 340.431 1.883 0 40 EDAB COc1ccc([C@H]2CN(S(=O)(=O)c3cccnc3)CCN2C)cc1 257270377 MTZCMYUEYNXNCB-QGZVFWFLSA-N 347.440 1.768 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2cccnc2C)n1 257268451 MLSNPCMVQFHJCA-QGZVFWFLSA-N 339.399 1.793 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3cnccn3)CCN2C(C)=O)cc1 257250534 JMXIRKWSJHWGMR-QGZVFWFLSA-N 340.383 1.531 0 40 EDAB Cc1c(CCC(=O)N2CCOC[C@H](Cc3ccncn3)C2)cnn1C 257218297 DCOLBTLXWONPJA-OAHLLOKOSA-N 343.431 1.169 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@](O)(CN2CCCC2)C1 257266948 MFGTWIAVLQOHBG-GOSISDBHSA-N 332.400 1.017 0 40 EDAB CC(C)N(CCc1nccs1)C(=O)c1cnc2c(c1)NC(=O)CO2 253423083 JQLGJCIRPDJANX-UHFFFAOYSA-N 346.412 1.962 0 40 EDAB C[C@H](CNC(=O)c1cnn(C)c1-c1ccccc1)N1CCOC[C@H]1C 252486339 IRJLZHSOUWMCJY-HUUCEWRRSA-N 342.443 1.926 0 40 EDAB O=C(O)c1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 262303817 OEUAFSJAFWWKRQ-UHFFFAOYSA-N 346.383 1.096 0 40 EDAB CO[C@@H]1CCC[C@H]1NC(=O)NCC[C@]1(O)C(=O)Nc2ccccc21 1615587873 LTFGIUOWMLSDKG-CKEIUWERSA-N 333.388 1.083 0 40 EDAB COc1cc([C@@H](C)NC(=O)c2ccccn2)ccc1S(C)(=O)=O 1615615736 SDFDNAYXDOJSSK-LLVKDONJSA-N 334.397 1.985 0 40 EDAB COC(=O)C[C@H](C)S(=O)(=O)N[C@@H](Cc1ccccc1)C1CC1 1615612849 CCCXHTLJMIZWQT-WFASDCNBSA-N 325.430 1.879 0 40 EDAB CC[C@@H]1CN(c2nnnn2Cc2cccc(C(N)=O)c2)C[C@@H](CC)O1 1616034085 WAVIXXNSGMBEFC-HUUCEWRRSA-N 344.419 1.214 0 40 EDAB Cn1cc(S(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cn1 96103593 YXXINDGCENDUGE-UHFFFAOYSA-N 334.401 1.042 0 40 EDAB CCCCn1ncc(NC(=O)c2ccc(S(N)(=O)=O)cc2)c1C 390833786 NBGWNQGJELNMSS-UHFFFAOYSA-N 336.417 1.891 0 40 EDAB CC(=O)OC(C)(C)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C 390829399 YJHRWTUCJNEZSH-UHFFFAOYSA-N 341.389 1.098 0 40 EDAB COc1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)c(OC)c1 575618965 RXRONHNUGFQFOZ-UHFFFAOYSA-N 339.355 1.610 0 40 EDAB CC(C)NC(=O)[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@@H]2CCO[C@@H]12 585109185 ZDDMSLLKOUULFY-INMHGKMJSA-N 334.391 1.509 0 40 EDAB O=C(NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O)c1cccnn1 585285190 NBVGWTYVTCQCGO-HFBAOOFYSA-N 331.347 1.564 0 40 EDAB Cc1ccoc1C(=O)N1Cc2cncn2[C@@H](C(=O)N2CCCO2)C1 585095997 JZJJGCGMLXRWGZ-CYBMUJFWSA-N 330.344 1.146 0 40 EDAB COc1ccccc1CCC(=O)N(C)[C@@H]1COC[C@@H](OC)[C@H]1OC 585288193 QPXKKXDCVVWUQS-KYJSFNMBSA-N 337.416 1.515 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2cccc3ncccc23)C[C@@H]1OC 585279818 ZITOLDMCVWKQOU-LRDDRELGSA-N 327.384 1.458 0 40 EDAB CCNC(=O)c1cccc(NC(=O)N[C@@H](C)C(=O)N[C@@H](C)CC)c1 68528464 JDFXGWUFBFXPLL-RYUDHWBXSA-N 334.420 1.861 0 40 EDAB NS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 69385682 VSGVAMKFSMGCIM-BDAKNGLRSA-N 337.228 1.502 0 40 EDAB Cc1ccc(C(=O)C(=O)NC[C@H](O)COc2cccc(F)c2)cc1 69736980 ZKTXEPKUXXAAMK-HNNXBMFYSA-N 331.343 1.873 0 40 EDAB CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1F 72292713 XSHKAJNNHFZJBY-VIFPVBQESA-N 330.381 1.630 0 40 EDAB CN1CCN(CCNC(=O)CCCOc2ccccc2Cl)CC1 51468414 QTINTZQFCWLITF-UHFFFAOYSA-N 339.867 1.863 0 40 EDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)C1=NN(C)C(=O)CC1 75602257 IRAJIHMVRMXKQE-LLVKDONJSA-N 337.811 1.654 0 40 EDAB COCCCNC(=O)CN1CCC[C@@H]1c1c(C)nn(C)c1Cl 75605741 PTEPMCPIOIACPR-GFCCVEGCSA-N 328.844 1.672 0 40 EDAB O=C(c1ccc(N2CCCC2=O)cc1)N1CC[C@@](O)(C(F)(F)F)C1 78025513 PMJISNNHIGPYJC-HNNXBMFYSA-N 342.317 1.953 0 40 EDAB COc1cc(NS(=O)(=O)c2ccc(C(C)=O)cc2)nc(OC)n1 1655608 AATBMCDXJZQKHP-UHFFFAOYSA-N 337.357 1.497 0 40 EDAB CN1C(=O)CN(C2CCN(C(=O)c3cc4ccccc4o3)CC2)C1=O 828283869 XHHZQSLVVRXCFV-UHFFFAOYSA-N 341.367 1.931 0 40 EDAB O=S1(=O)CC[C@@H](NCc2ccc(OCc3ccncc3)cc2)C1 42186706 YQRFMHPYBRRJSB-MRXNPFEDSA-N 332.425 1.937 0 40 EDAB C[C@@H]1c2cccn2CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 29379318 QHSBAOPQXMAPCA-CYBMUJFWSA-N 347.440 1.955 0 40 EDAB CN1C[C@@H](C(=O)Nc2ccn(C)n2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595667 JHFVARMDGZSYNH-WWGRRREGSA-N 330.363 1.809 0 40 EDAB Cn1ccnc1C1(O)CCN(C(=O)C2(c3ccccc3)CC2)CC1 12114608 NKXAQYQYEPKWJR-UHFFFAOYSA-N 325.412 1.962 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCCC[C@H]3C)n2)o1 12182651 NBNFUJIUYTYVAH-LLVKDONJSA-N 330.388 1.795 0 40 EDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)[C@H](C)N)C2)C1 12365955 BHAATZMPNVXBHZ-UGSOOPFHSA-N 331.416 1.136 0 40 EDAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCSCC1)c1ccco1 12602624 ZWDJXWHOOIJXNM-HRCADAONSA-N 349.500 1.769 0 40 EDAB biogenic,in-vitro Cc1nn2c(=O)cc(COC(=O)COc3ccccc3)nc2s1 15733946 RVNBJUKWZOJKNN-UHFFFAOYSA-N 331.353 1.582 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)s1 19217288 RCNYFQFPRARCHY-UHFFFAOYSA-N 337.470 1.958 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC(CC(=O)NCC2CC2)CC1 19748501 CATSDSBEYWOZLQ-UHFFFAOYSA-N 333.432 1.989 0 40 EDAB Cc1nn(C)cc1CNc1ccc(S(=O)(=O)N2CCCCC2)cn1 158433806 MAENOYNOMYGHJF-UHFFFAOYSA-N 349.460 1.910 0 40 EDAB CC(C)N1C[C@H](c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CC1=O 78774929 IDGXFKSTYFWHQT-GFCCVEGCSA-N 349.412 1.864 0 40 EDAB Cc1c(C(N)=O)sc2ncn(CC(=O)OC3CCCCC3)c(=O)c12 149887 KCFYHYMAYQEFOY-UHFFFAOYSA-N 349.412 1.741 0 40 EDAB CC(C)(C)NC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 415241 BZOPFJMVZMMYON-UHFFFAOYSA-N 349.416 1.440 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCc1ccc(F)cc1 3299810 AHPDOPGUFCHBOO-UHFFFAOYSA-N 328.299 1.572 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)CCC)n2CC 5109544 ZCNXENAGIKBPAZ-UHFFFAOYSA-N 336.392 1.550 0 40 EDAB O=C([C@@H]1CN(CCOc2ccccc2)CCO1)N1CCSCC1 1888868571 JCVCZUSKUCMANK-INIZCTEOSA-N 336.457 1.342 0 40 EDAB CCOCCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 21900013 XJQNPNFSTKMDMO-ZDUSSCGKSA-N 348.399 1.354 0 40 EDAB COc1cccc(CC(=O)NCCn2ccc(-c3cnccn3)n2)c1 244986148 JHVBJVXFXIIEPF-UHFFFAOYSA-N 337.383 1.708 0 40 EDAB Cn1nccc1C(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037905639 UOKGXZHCCPMBLJ-SFHVURJKSA-N 347.390 1.995 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912020 CDSWMXDXYBNZFA-QGZVFWFLSA-N 333.363 1.985 0 40 EDAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(C(=O)c3cscn3)[C@@H]2CN1 2037984560 FTZLIPJGSCOACW-XNRPHZJLSA-N 343.408 1.266 0 40 EDAB CN1C(=O)COC[C@@H]2CCN(C3CCN(c4ccccc4)CC3)C[C@@H]21 2037985366 HLWOAXGCMCQLHF-LPHOPBHVSA-N 343.471 1.835 0 40 EDAB Cc1cnc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)s1 2087126111 YUZJXIUWFDCESM-LLVKDONJSA-N 331.388 1.914 0 40 EDAB O=C1C[C@H]2[C@H](CCN2C[C@H](O)CO)N1Cc1ccc(F)cc1Cl 1565541740 WRMATRFOPLDLIB-QEJZJMRPSA-N 342.798 1.008 0 40 EDAB O=C(NCC1CC1)[C@@H]1C[C@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]1O2 1565547450 JAUNXCWNCLQHJT-WOSRLPQWSA-N 345.399 1.308 0 40 EDAB O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(F)cc1F 4941440 JVUVJYYHWQUVTC-NSHDSACASA-N 340.326 1.705 0 40 EDAB O=C([C@@H]1CN(c2ncccc2F)CCO1)N1CCC(F)(F)CC1 2086881861 ORLLRJBTWMJDAB-LBPRGKRZSA-N 329.322 1.684 0 40 EDAB CSc1nccc(N2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)n1 2086889381 QBVZIIHGNGDKRP-LLVKDONJSA-N 342.490 1.591 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccnn3c2)c(C)c1 225576469 LMDNLZNPKVOSHX-UHFFFAOYSA-N 345.384 1.797 0 40 EDAB O=C(C[C@@H](C(=O)O)N1CCNCC1)Nc1ccc(Cl)c(Cl)c1 22592800 WIQJYOAMEIJGHD-LBPRGKRZSA-N 346.214 1.680 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NCCCn3cccn3)CC2=O)cc1 30165069 GHDWBSSLQFKUJA-AWEZNQCLSA-N 342.399 1.451 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)N1CCCCCC1 40039887 LECXBNPFEXGVBF-CQSZACIVSA-N 340.445 1.879 0 40 EDAB COc1ccc(Cl)cc1CS(=O)(=O)[C@@H](C)C(=O)NC1CC1 40106157 NZQWIAMAMQPBKV-VIFPVBQESA-N 331.821 1.931 0 40 EDAB CN(Cc1ccco1)C(=O)NCc1ccc(N2CCOCC2)nc1 31100041 DRMXIKGQUVIVIP-UHFFFAOYSA-N 330.388 1.853 0 40 EDAB COc1cccc(N2C[C@H](C(=O)N[C@@H](C)Cn3cccn3)CC2=O)c1 31401003 ZXQJXTKDXRGYEA-UONOGXRCSA-N 342.399 1.450 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 40516618 QHBMFHPBOBLNBT-GFCCVEGCSA-N 325.434 1.088 0 40 EDAB CCOc1ccc(CNS(=O)(=O)c2cnn(C)c2)cc1OC 40528132 HFBOGNNTCNRCPZ-UHFFFAOYSA-N 325.390 1.306 0 40 EDAB CCOCCCNC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40513707 HVFLZKYBWKUKEJ-GFCCVEGCSA-N 326.828 1.889 0 40 EDAB C[C@@H]1Sc2ccc(C(=O)NCCNc3ncccn3)cc2NC1=O 40535579 DXNCFZCREKMHLC-JTQLQIEISA-N 343.412 1.751 0 40 EDAB O=C(CN1C(=O)COc2cc(Br)ccc21)N1CCCC1 32478152 CCVBKPYNDFPSSW-UHFFFAOYSA-N 339.189 1.797 0 40 EDAB O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1c(F)c(F)c(F)c(F)c1F 102218068 QMCJUFVZYPZBEC-KAZBKCHUSA-N 331.196 1.825 0 40 EDAB O=C(CCNC(=O)c1ccoc1)Nc1ccc(-n2cncn2)nc1 33008230 QBGXFRPOKWJXKX-UHFFFAOYSA-N 326.316 1.014 0 40 EDAB Cc1ccc(Cn2ccs/c2=N/C(=O)[C@@H](C)S(C)(=O)=O)cc1 103211350 FSLULLKOPMGINW-IUDBQGPFSA-N 338.454 1.767 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 46883233 HHRLVCCQEQAXKO-HZSPNIEDSA-N 348.534 1.001 0 40 EDAB CCn1cnnc1CNC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 47021315 JQNDTGVGKQJFDZ-INIZCTEOSA-N 339.399 1.878 0 40 EDAB CCN(CC)c1ccc(NC(=O)NCC2(C(N)=O)CCOCC2)cn1 47047160 GICNUFRWPSYNSL-UHFFFAOYSA-N 349.435 1.331 0 40 EDAB O=C1OCCN1N1C(=O)CC2(CCN(Cc3ccccc3)CC2)C1=O 1669020 GRAWUAYRJYCKFA-UHFFFAOYSA-N 343.383 1.395 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 3457128 VUCMZJWEELKWJY-UHFFFAOYSA-N 342.417 1.252 0 40 EDAB COC(=O)Cn1c(=O)cc(C(F)F)c2c(C)nn(CC(F)F)c21 12396363 CDKHMBNRZJPKLN-UHFFFAOYSA-N 335.257 1.882 0 40 EDAB CCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(C(=O)NC)cc1 54039565 BJUNUHXYLSLWHK-UHFFFAOYSA-N 342.417 1.008 0 40 EDAB Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1cccs1 4454663 RIVYFCUPNLHBII-UHFFFAOYSA-N 347.392 1.978 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1C 4800399 FSZKFFDRVIVKES-SNVBAGLBSA-N 333.417 1.342 0 40 EDAB O=C(OCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)C1CC1 6057830 UDLHYTBLCYAMEZ-CQSZACIVSA-N 337.397 1.160 0 40 EDAB O=C(C(Sc1ncn[nH]1)C(=O)N1CCCCC1)N1CCCCC1 6244394 MKBVSLUNPIPSBD-UHFFFAOYSA-N 337.449 1.290 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H](C(=O)N2CCOCC2)C1 23317085 PBRSUIUYHSXOCL-CYBMUJFWSA-N 342.399 1.274 0 40 EDAB CN(CC(N)=O)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 47628803 KQALBLORFGSPOK-QGZVFWFLSA-N 325.412 1.504 0 40 EDAB COC(=O)c1cc(NC(=O)Cn2cc(C)cn2)cc(C(=O)OC)c1 54858415 HFAPBJAJBGBUFS-UHFFFAOYSA-N 331.328 1.403 0 40 EDAB Cc1cc(=O)c(C(=O)O[C@@H](C)C(=O)NC(C)C)nn1-c1ccccc1 25852174 STMUVAQTZRBKCN-ZDUSSCGKSA-N 343.383 1.611 0 40 EDAB Cc1ccccc1CC(=O)NC1CCN(CC(=O)N2CCCC2)CC1 56808762 VPHNVALNLGYKEQ-UHFFFAOYSA-N 343.471 1.741 0 40 EDAB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccccc1 12531525 SYUOXNUKISVYAW-KBPBESRZSA-N 344.367 1.344 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 24050072 KFEVVGPZFGFAQN-UHFFFAOYSA-N 328.372 1.787 0 40 EDAB COc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100081443 CDLYCZQEQLFGTO-KUDNYVPYSA-N 326.352 1.441 0 40 EDAB Cc1ccc([C@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)o1 44869251 XJPDQOIAHAIZKN-NSHDSACASA-N 348.380 1.610 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCN1CCOCC1 48251394 TZWOYHUWQVCRPH-GOSISDBHSA-N 343.427 1.399 0 40 EDAB CNC(=O)NC(=O)CNc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C 58281399 IRCXVYLIUUQAMD-LBPRGKRZSA-N 346.431 1.735 0 40 EDAB CC(C)c1noc(CCCNC(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)n1 110648186 PIMKXNFTNAAXSE-IGQOVBAYSA-N 334.420 1.944 0 40 EDAB C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCCC[C@H]1C 58403888 OZCXPIOVTVCLRO-VXGBXAGGSA-N 328.409 1.894 0 40 EDAB CCN(CC)C(=O)c1cccc(NC(=O)CN2CCC(O)CC2)c1 21581934 WEFLNXVZWDMBIQ-UHFFFAOYSA-N 333.432 1.564 0 40 EDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(O)c3)ccc21 11615479 QZFOTXWWRDOYSW-UHFFFAOYSA-N 333.369 1.383 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CN(C[C@H]2CCOC2)C2CC2)c1 46092679 KICHKEPRZQPJBL-OAHLLOKOSA-N 338.473 1.938 0 40 EDAB Cc1ccc(-n2nnnc2SCC(=O)NC[C@H]2CCCO2)cc1 3499070 VOWKAPOOTYABDI-CYBMUJFWSA-N 333.417 1.358 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)c(=O)[nH]1 29759246 IOAUMZPXLICGIQ-CQSZACIVSA-N 341.415 1.315 0 40 EDAB O=C(c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1)N1CCCC1 12003182 VLOCEQZTGBGFDG-UHFFFAOYSA-N 342.804 1.643 0 40 EDAB COc1ccc(OC[C@@H](O)Cn2c(C)cc(=O)n3nc(C)cc23)cc1 12983446 PXSCDLNSKBRQNC-AWEZNQCLSA-N 343.383 1.561 0 40 EDAB O=S(=O)(NCc1cc(Br)cs1)N1CCOCC1 48671488 JEVUAPRUXGHWDU-UHFFFAOYSA-N 341.252 1.177 0 40 EDAB Cc1nc2ccc(NC(=O)N[C@H]3CCS(=O)(=O)C3)cc2s1 71901203 MLQWMGLXAZXOGX-JTQLQIEISA-N 325.415 1.913 0 40 EDAB Cc1c(CCC(=O)N2CCC(=O)CC2)c(=O)oc2cc(O)ccc12 9135035 NEOYPMGUNOQJAN-UHFFFAOYSA-N 329.352 1.931 0 40 EDAB CNS(=O)(=O)c1ccc(N2CCc3ccc(OC)cc3C2)nc1 65529078 ZIDBEAJVPOMYJT-UHFFFAOYSA-N 333.413 1.561 0 40 EDAB COC(=O)c1occc1COC(=O)c1ccc2c(c1)C(=O)NC2=O 65547504 CGXRJKMDOJNWBJ-UHFFFAOYSA-N 329.264 1.307 0 40 EDAB CC(C)n1nnn(CN2CCN(C(=O)OC(C)(C)C)CC2)c1=S 14137969 WZKPDVFDSNUOKZ-UHFFFAOYSA-N 342.469 1.900 0 40 EDAB CCN(CC)CCC[C@H](C)NC(=O)COc1ccc(CC(N)=O)cc1 65604580 GOVJHKYAJYSXAD-HNNXBMFYSA-N 349.475 1.720 0 40 EDAB COc1ccc(C(=O)N[C@H]2C(=O)NN[C@@H]2c2ccc(Cl)cc2)cc1 4588177 MSMOVPGQFAVDAE-HUUCEWRRSA-N 345.786 1.823 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1cccc(Cl)c1 14408877 LAXBKZZLZROQJA-VIFPVBQESA-N 335.791 1.835 0 40 EDAB CCn1c(Oc2ccc(F)cc2F)nc2c1c(=O)n(C)c(=O)n2C 4625975 YQAUSRJWLRVGPF-UHFFFAOYSA-N 336.298 1.524 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1nnc(C2CC2)s1 6648039 XMLVLMTWPYWHID-UHFFFAOYSA-N 327.369 1.833 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3ccc(C)c(F)c3)CC2)n[nH]1 96012930 ITOZSYGAXLXXPR-UHFFFAOYSA-N 331.395 1.773 0 40 EDAB CN(C)C(=O)Cn1cc(NC(=O)CCc2cc(F)ccc2F)cn1 66382607 VQMRRNXXKDKJQL-UHFFFAOYSA-N 336.342 1.821 0 40 EDAB Cc1cc(C)c2oc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 6811320 FCKXYGCWHGXGSG-NSHDSACASA-N 335.381 1.327 0 40 EDAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(=O)OC)cc1 15016773 KIHMVWZVRCLRAC-CYBMUJFWSA-N 328.328 1.527 0 40 EDAB O=C(NCCNC(=O)c1ccccc1Cl)c1nc(C2CC2)no1 21453642 RODDWZCSXCSFED-UHFFFAOYSA-N 334.763 1.760 0 40 EDAB O=C(CCN1CCN(C(=O)c2cccc3cc[nH]c23)CC1)NC1CC1 80238084 VVFXMVGWUJSKPB-UHFFFAOYSA-N 340.427 1.594 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)N1CCC(C)CC1 7293078 UVINEXUGNNPJBH-UHFFFAOYSA-N 342.399 1.991 0 40 EDAB COc1cccc(N2C[C@H](C(=O)NCc3ccncc3)CC2=O)c1 7452220 WMBTVBJSZMOPAE-CQSZACIVSA-N 325.368 1.760 0 40 EDAB COc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CCN(S(C)(=O)=O)C1 90796599 SEXJLBLQSVPQIU-GUYCJALGSA-N 338.473 1.944 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)cc1F 9822651 AGDDPCVIRMYWKY-ZDUSSCGKSA-N 338.335 1.570 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)cc1 16728362 LBDFRPMYVZGUOB-GFCCVEGCSA-N 333.413 1.613 0 40 EDAB CCc1c(COC)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O 22448386 CZXYWBHGIQXMMO-UHFFFAOYSA-N 328.416 1.805 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)c1 70038484 RLPXQMGKSHEROF-MRXNPFEDSA-N 338.411 1.839 0 40 EDAB COCCNC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCOC2)cc1 70012012 GFCSCEVNKGSLMT-GFCCVEGCSA-N 342.417 1.265 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC(=O)N[C@@H](C)c3ccco3)CC2)n1 69385951 CPKRFFYLCSOWBE-STQMWFEESA-N 347.419 1.527 0 40 EDAB COc1ccc(CN(C)c2ncc(S(N)(=O)=O)s2)c(OC)c1 69414113 MNUBQVXUZLVEKT-UHFFFAOYSA-N 343.430 1.444 0 40 EDAB COc1cc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)ccc1OC(C)C 69562305 ZYGLLHNVSKTSPO-ZDUSSCGKSA-N 346.383 1.502 0 40 EDAB Cc1[nH]c(=O)ccc1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91758367 AOFXTVQKLTXWCN-IAQYHMDHSA-N 334.322 1.910 0 40 EDAB CCOc1ccc(CN2CCN(S(=O)(=O)CC)CC2)cc1OC 19842668 FJWAPFLUUMIJKY-UHFFFAOYSA-N 342.461 1.561 0 40 EDAB CC(C)[C@H](C(=O)Nc1cnn(Cc2cccnc2)c1)N1CCCC1=O 69700216 XVEYNOFSDCYQIY-QGZVFWFLSA-N 341.415 1.912 0 40 EDAB Cc1nc(CN2CCC[C@@H](NCC(=O)N(C)Cc3ccco3)C2)no1 69738440 XVKAFNCKAORUIM-CQSZACIVSA-N 347.419 1.184 0 40 EDAB O=S(=O)(CCNc1ncnc2ccccc12)N1CCSCC1 69841564 ZLNOEWXWBBWACJ-UHFFFAOYSA-N 338.458 1.420 0 40 EDAB Cc1cc(NC2CCN(C(=O)N(C)C)CC2)ccc1-n1cnnn1 96490794 JQSFGSQABAMRLU-UHFFFAOYSA-N 329.408 1.529 0 40 EDAB Cc1nncn1CCNC(=O)c1ccc(N2CCC(C)CC2)nc1 96445310 IOHNYHKLGTXLRF-UHFFFAOYSA-N 328.420 1.648 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CC(n2cccn2)C1 71879052 OKVHMVPWVWOBEF-CZUORRHYSA-N 326.400 1.768 0 40 EDAB Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C[C@H](C)O)CC1 71871459 OMZDVXRNJRHXEO-LBPRGKRZSA-N 333.388 1.311 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)CC2)no1 71841289 SDQHKLPSTRXPLD-CVEARBPZSA-N 329.404 1.164 0 40 EDAB OC[C@H]1CCCN1c1cc(NC[C@@H](O)Cc2ccccc2)ncn1 72276285 NZQLFGPXOXULEK-CVEARBPZSA-N 328.416 1.453 0 40 EDAB Cc1cccn2cc(CN3CCC(N4CCN(C)C4=O)CC3)nc12 72267476 HWWWEPOBQVNMFU-UHFFFAOYSA-N 327.432 1.975 0 40 EDAB O=C(CN1CCCC1=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 72299921 IVGWIBLIHBSBER-UHFFFAOYSA-N 344.411 1.966 0 40 EDAB CCc1nc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)n[nH]1 97109159 BNWJCKMYHVNUCD-UHFFFAOYSA-N 349.460 1.015 0 40 EDAB COc1ccc(F)cc1CN1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 72300785 SKQMGGFZAHYOJX-YVEFUNNKSA-N 335.379 1.644 0 40 EDAB O=C(c1ccn2ccnc2c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 95450424 IGPHWTWREISSGJ-GOEBONIOSA-N 338.411 1.950 0 40 EDAB COCCOCCn1cnc2cccc(Br)c2c1=O 95939567 BEGGQQRPBZLBRK-UHFFFAOYSA-N 327.178 1.822 0 40 EDAB CN(CCCCN(C)C(=O)C[C@@H]1CCCO1)C(=O)C[C@@H]1CCCO1 89340330 HCNKXDCBJJMOKA-HOTGVXAUSA-N 340.464 1.822 0 40 EDAB CCC(=O)N[C@@H]1CCCN(CCn2cnc3ccsc3c2=O)C1 75147480 ZTMBYINXGAYEAN-GFCCVEGCSA-N 334.445 1.449 0 40 EDAB O=S(=O)(c1cccnc1)N1CCn2c(nnc2-c2ccccc2)C1 89853165 IGKOLYWDRNWHMY-UHFFFAOYSA-N 341.396 1.545 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3CCN(c4ncccn4)[C@@H]3CC2)no1 306135083 OHJYMUNXRKNMHO-UKRRQHHQSA-N 327.388 1.904 0 40 EDAB CSc1ccc([C@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 35598494 UEOXNEDKQQGXET-LLVKDONJSA-N 332.385 1.030 0 40 EDAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](NC(N)=O)C(C)C 32976374 HWMKSSWSOVHBIT-MRXNPFEDSA-N 347.463 1.378 0 40 EDAB CC(=O)Nc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)cs1 72368568 HBGVIUUJQYGETN-NSHDSACASA-N 333.417 1.855 0 40 EDAB COc1ccc(CCNC(=O)c2ccccc2-n2nnnc2C)cc1 71286208 HGEPTHIYEWGMOP-UHFFFAOYSA-N 337.383 1.952 0 40 EDAB O=C1C[C@@H](C(=O)N2CCc3nc[nH]c3C2)CN1CCc1ccccc1 1565524431 MJQNUEPCHXBSQL-OAHLLOKOSA-N 338.411 1.386 0 40 EDAB C[C@]1(c2[nH]ncc2C(N)=O)CCCN(S(=O)(=O)c2ccccc2)C1 72388849 BLSQUZAXONXUTB-INIZCTEOSA-N 348.428 1.251 0 40 EDAB CS(=O)(=O)Nc1ncn(Cc2cccc(Br)c2)n1 130024999 FDOVUKRYDUFHMY-UHFFFAOYSA-N 331.195 1.460 0 40 EDAB COc1ccc(-c2n[nH]c(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)n2)cc1 71279763 DKSXKMUTHQAOCL-MNOVXSKESA-N 330.344 1.776 0 40 EDAB COc1ncccc1C(=O)N1CCN(C[C@H](O)c2cccs2)CC1 49031271 XPMQHUBNODNJBQ-AWEZNQCLSA-N 347.440 1.643 0 40 EDAB O=C(O)CNC(=O)CNC(=O)CCn1ccc2ccc(Cl)cc21 40312425 MZHCDVQCMMZTIC-UHFFFAOYSA-N 337.763 1.002 0 40 EDAB biogenic O=C(NCc1cccnc1N1CCCC1)[C@@H]1CCc2[nH]cnc2C1 225512398 ZVHPLZLVJILLPC-CYBMUJFWSA-N 325.416 1.826 0 40 EDAB Cc1nscc1C(=O)N1CCC(N(C)CC(=O)NC(C)C)CC1 195557064 VZDAVKJUYPVUAF-UHFFFAOYSA-N 338.477 1.513 0 40 EDAB CC(C)[C@]1(CO)CCCN(C(=O)c2ccc(-n3ccnc3)nn2)C1 569562874 IOLLYBSZHKCWPO-QGZVFWFLSA-N 329.404 1.533 0 40 EDAB Cc1cnc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)s1 227168280 BRSIHIVLPOSLFJ-QMMMGPOBSA-N 339.398 1.972 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCc1ccc(F)cc1 136434299 NTCSWJAPCJUGFM-IYBDPMFKSA-N 344.386 1.826 0 40 EDAB CCOc1ccccc1CCC(=O)N1C[C@H](OC)C[C@@H]1C(=O)OC 225632799 WFTHFWVZKDPQGZ-HUUCEWRRSA-N 335.400 1.807 0 40 EDAB Cc1cc(C)cc([C@@H](O)CNC(=O)NCCCN2C(=O)CCC2=O)c1 225757797 GDNOCVPKCRQAIZ-HNNXBMFYSA-N 347.415 1.175 0 40 EDAB S=C(NC[C@H]1CCCO1)NC1CCN(Cc2ccccn2)CC1 44222158 HCDUMSCKCOIIOS-MRXNPFEDSA-N 334.489 1.689 0 40 EDAB CCN1CN(C(=O)NCCCc2nc3c(s2)CCCC3)CC1=O 195580020 IGICAKJAPJRUDO-UHFFFAOYSA-N 336.461 1.786 0 40 EDAB NC(=O)c1cccc(NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)c1 573868715 YMCVOSVFYQJNSW-IBGZPJMESA-N 337.379 1.572 0 40 EDAB CCc1ccc(C(C)(C)NS(=O)(=O)[C@H](C)C(=O)N(C)C)cc1 194004364 PWJZRBBZZSQRJJ-GFCCVEGCSA-N 326.462 1.880 0 40 EDAB COc1cccc(COCC(=O)N[C@H]2CCc3nc(C)cn3C2)c1 97198911 QZWBSCCNFCRCAP-HNNXBMFYSA-N 329.400 1.848 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1cnn(-c3ccccc3)n1)CC2 97199054 WFNMZKGFKJIWRN-LBPRGKRZSA-N 337.387 1.166 0 40 EDAB O=C(O)c1cc2c([N+](=O)[O-])ccnc2n1S(=O)(=O)c1ccccc1 95920006 SKJBFPGTOGZUQS-UHFFFAOYSA-N 347.308 1.880 0 40 EDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Oc3ccccc3N)ccc21 94986144 YIMUOFZCADMOSC-UHFFFAOYSA-N 333.369 1.227 0 40 EDAB COc1ncccc1CN1CC[C@H]2C[C@@H](C(=O)NCC3CC3)O[C@@H]2C1 96042897 LHWOYBORJQMYAT-BHYGNILZSA-N 345.443 1.596 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 96041689 MPLPFALYPCCQJB-ARFHVFGLSA-N 326.356 1.323 0 40 EDAB O=C(NC1(c2cccc(Br)c2)CC1)[C@H]1COCCO1 96418890 ZTLXMKXWPYGMRX-GFCCVEGCSA-N 326.190 1.970 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3nccs3)C2)O1 96207197 IGCDNVGNPQUBDQ-GXTWGEPZSA-N 345.490 1.206 0 40 EDAB CC(C)NC(=O)N1CCO[C@]2(CCCN(c3nncs3)C2)C1 96226638 ZEWOYEFDDQNVIN-CQSZACIVSA-N 325.438 1.327 0 40 EDAB O=S(=O)(C1CC1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 96208038 LGQPUDGVTNKWAZ-CYBMUJFWSA-N 325.434 1.234 0 40 EDAB CNS(=O)(=O)CC(=O)NCC1(Nc2ccccc2C)CCCC1 583494047 GHCDHYDXRYSICY-UHFFFAOYSA-N 339.461 1.385 0 40 EDAB Cc1noc(C)c1CCNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O 96446785 SQEJQAMRPMMIRH-UHFFFAOYSA-N 332.404 1.953 0 40 EDAB C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 583622980 CDDYXJLPQCRDGS-XDQVBPFNSA-N 336.436 1.530 0 40 EDAB COc1cccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 95402563 XOKWSHSEHQJMBN-GJZGRUSLSA-N 328.368 1.975 0 40 EDAB O=C(c1ccncc1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 96209402 ZLFRHNIJTLNCIN-QAPCUYQASA-N 325.368 1.644 0 40 EDAB Cc1nnc(C[C@]23COC[C@H]2CN(Cc2ccc4c(c2)OCO4)C3)o1 96216209 PYVCMSNNFPCINC-KDOFPFPSSA-N 343.383 1.798 0 40 EDAB COc1cc(N2Cc3ccnn3[C@@H](CC(=O)NCC3CC3)C2)ncn1 247915068 VTZZBUASQFUHFJ-AWEZNQCLSA-N 342.403 1.159 0 40 EDAB COCC[C@H]1CO[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)C[C@@H]12 247915985 MOBVHKUAOGIWTF-RCBQFDQVSA-N 341.429 1.367 0 40 EDAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)c1ccnn1C 257275093 NNWIWTOOYIICHF-OPNNQBFTSA-N 348.491 1.896 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCCSCC1 585121585 SUIBTDMPZVHVHX-MLGOLLRUSA-N 344.477 1.712 0 40 EDAB COc1ccccc1C(=O)N1CC[C@H](c2ncc(CNC(C)=O)[nH]2)C1 257328814 XHFMVOSZIBZYSY-ZDUSSCGKSA-N 342.399 1.684 0 40 EDAB CCCCOc1ncccc1CNC(=O)[C@H]1CN2CCC[C@@H]2CO1 585120813 MXHLEXNBMKVIJJ-HZPDHXFCSA-N 333.432 1.740 0 40 EDAB COCCOCCS(=O)(=O)Nc1ccccc1-c1ncco1 585136564 KWGPUFWRLRMEEB-UHFFFAOYSA-N 326.374 1.746 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)c3nccn3C)CCN2C(C)=O)cc1 257293732 QQYHWTVIDXGOAU-INIZCTEOSA-N 342.399 1.474 0 40 EDAB Cc1ccc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)c(=O)n1C 257203185 AOZHVGKIDHVQEC-OAHLLOKOSA-N 342.399 1.655 0 40 EDAB CNc1cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)ccn1 257287753 PRJFGGDIKKEFBU-ZDUSSCGKSA-N 335.433 1.425 0 40 EDAB Cc1ncc(CN2CCC[C@@H](Cc3[nH]ncc3S(C)(=O)=O)C2)cn1 257258797 KVPALHIABIZPRW-ZDUSSCGKSA-N 349.460 1.366 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1 257326056 WVOWILJZJVFMLO-OAHLLOKOSA-N 331.420 1.303 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3cc4c(nc3O)CCC4)CCO2)n1 257262794 LMYMILOCMMRJSR-HNNXBMFYSA-N 342.399 1.532 0 40 EDAB Cc1nc(C(=O)NC[C@]2(O)C[C@H](c3ccccc3)O[C@H](C)[C@H]2O)co1 257259851 LAHXWDBSWAFQHW-NFBAFIMDSA-N 346.383 1.355 0 40 EDAB O=C(O)[C@H](NS(=O)(=O)c1ccc(C(F)F)cc1)[C@H]1CCOC1 548768977 FFQVKMRRQZETQF-GXSJLCMTSA-N 335.328 1.392 0 40 EDAB COC(=O)C[C@H](NC(=O)c1cc2sccc2s1)C(=O)OC 604228347 FWFDINAXEFUJJC-ZETCQYMHSA-N 327.383 1.797 0 40 EDAB CCOC(=O)CCN(C1CC1)S(=O)(=O)c1cnc2ccccn12 1615586488 AQCLOGHDQAXMOF-UHFFFAOYSA-N 337.401 1.441 0 40 EDAB O=C1CCCCN1C[C@H]1CCC2(CN(C(=O)c3cc[nH]n3)C2)OC1 575404953 PRSKSBUHQFNKID-CYBMUJFWSA-N 332.404 1.043 0 40 EDAB Cc1cccc(CS(=O)(=O)NCCn2cnc(C3CC3)cc2=O)c1 575604078 PZGBYLNPJLXOMK-UHFFFAOYSA-N 347.440 1.549 0 40 EDAB CC(=O)N1CCC(N2CC[C@](O)(COc3ccccc3C)C2)CC1 585276985 RAXSARKSQITVHX-LJQANCHMSA-N 332.444 1.822 0 40 EDAB Cc1c(CN2Cc3ccnn3CC[C@H]2CN2CCOCC2)cnn1C 585097473 MEACICVAHINXQD-KRWDZBQOSA-N 344.463 1.032 0 40 EDAB CO[C@@H]1CCN(C(=O)c2cnc3ccccc3c2)C[C@H]1CC(N)=O 585276368 NGMXUPPKFXTHLV-GDBMZVCRSA-N 327.384 1.587 0 40 EDAB COC(=O)c1cccc(O)c1NS(=O)(=O)c1cn(C(C)C)cn1 585141061 OOVQZKZLFNQVSF-UHFFFAOYSA-N 339.373 1.757 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)Cc1c(F)cccc1F 585286645 NVIMQQMYNCUCQE-FMKPAKJESA-N 329.343 1.395 0 40 EDAB CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)Cc2cnc[nH]2)C1 585275304 AAECHISMIPFCDK-GOSISDBHSA-N 329.400 1.957 0 40 EDAB COCCN1CC[C@H](CNC(=O)CCc2ccc3c(c2)OCO3)C1 68493432 XSYDSFUGXZFEJG-OAHLLOKOSA-N 334.416 1.432 0 40 EDAB CCCCn1nnnc1CN1CCCC[C@@H]1Cn1nc(C)nc1C 69597781 SDDAKWUPMKLLAM-OAHLLOKOSA-N 332.456 1.736 0 40 EDAB CCCO[C@@H]1CCCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C1 71835088 IEMVJKFPLAIHJW-CYBMUJFWSA-N 329.400 1.883 0 40 EDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 48236129 PXSAHUDUNGDEQD-AWEZNQCLSA-N 348.428 1.201 0 40 EDAB C[C@@H]1CCC[C@@H]2CCCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)[C@H]12 57102167 HQHZGTPBEBLGQA-LALPHHSUSA-N 339.461 1.713 0 40 EDAB CC(C)S(=O)(=O)[C@@H](C)C(=O)OCC(=O)NC1CCCCCC1 52409372 RFOWLUICNFOSAJ-LBPRGKRZSA-N 333.450 1.580 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 56099602 BUMMNQHKCZYDSG-UONOGXRCSA-N 339.465 1.012 0 40 EDAB O=C1CCCN1[C@H](CNS(=O)(=O)C1CC1)Cc1cccc(F)c1 85467501 NSNKHFLUTYMWSV-AWEZNQCLSA-N 340.420 1.441 0 40 EDAB O=C1CCC(C(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)CC1 39625070 HNIDYTQURQDBHQ-KRWDZBQOSA-N 326.396 1.714 0 40 EDAB in-vitro CCN(C(=O)c1ccnc2c(C(N)=O)cnn12)c1ccc(F)c(C)c1 1594944282 KIRSBNMTUBADSR-UHFFFAOYSA-N 341.346 1.942 0 40 EDAB O=S(=O)(C1CC1)N1CCN(c2nccn3nc(C4CC4)cc23)CC1 631394347 MENHYLCTFYSGDI-UHFFFAOYSA-N 347.444 1.221 0 40 EDAB Cn1nccc1[C@H]1CCCN(C(=O)Cn2nnc3c2CCCC3)C1 515309344 DALQGTMFWYZORV-ZDUSSCGKSA-N 328.420 1.297 0 40 EDAB CO[C@H]1CCN(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1254176136 QGJNLGPUIKLKHP-INIZCTEOSA-N 338.473 1.869 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 11605347 NIDCBKFBMDHBNO-UHFFFAOYSA-N 342.399 1.742 0 40 EDAB CC(C)[C@@H](NC(=O)[C@H]1C=CCN1S(C)(=O)=O)c1cccs1 12200518 WXMLVJRQHJUMHK-DGCLKSJQSA-N 328.459 1.761 0 40 EDAB CC[C@H](C(=O)N[C@@H](C)COC)N(c1ccccc1)S(C)(=O)=O 13711721 LJOAYCSPCRAZES-GXTWGEPZSA-N 328.434 1.382 0 40 EDAB CC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1 13998369 KPWIQUJYMZDLFP-UHFFFAOYSA-N 336.355 1.764 0 40 EDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCCCC1 14184274 OQCXPJZFTZCBOP-LBPRGKRZSA-N 337.445 1.098 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(F)cc1)C3 19821153 XWNSSEGKJVARFQ-SNVBAGLBSA-N 339.326 1.674 0 40 EDAB C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2CCN3CC[C@@H](OC1=O)[C@H]23 5132687 BTHCJHQOYFUIMG-WUKNAJICSA-N 337.416 1.273 0 40 EDAB O=S1(=O)CC[C@@H](NCCCn2ccnn2)c2cc(Cl)ccc21 157972552 XVEAMPUHSGVRBR-CYBMUJFWSA-N 340.836 1.830 0 40 EDAB COC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(C)c2)N(C)C1=S 8336385 HZAYTBWUCOULJY-WQLSENKSSA-N 334.397 1.576 0 40 EDAB Cc1nc2c(cc1C(=O)N(C)CCN1CCCC1=O)c(C)nn2C 522157797 HPHRZRKNRKASGN-UHFFFAOYSA-N 329.404 1.280 0 40 EDAB CN(C)[C@H]1CC2(CCN(Cc3cscn3)CC2)OC[C@]1(C)O 643913528 AKVHIENONMQTPR-GJZGRUSLSA-N 325.478 1.579 0 40 EDAB Cc1ccccc1[C@@H](C)NC(=O)N1CCO[C@@H](c2nncn2C)C1 583623937 WVSWTXJHJUHZEK-UKRRQHHQSA-N 329.404 1.968 0 40 EDAB Nc1cc(Cl)ccc1C(=O)OCC(=O)NC(=O)NC1CCCC1 6059960 FAUJTCSJHQUUAD-UHFFFAOYSA-N 339.779 1.847 0 40 EDAB CC(C)N1CC[C@@H](N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)C1=O 1888842590 RXYYUEFBWDXREK-OWCLPIDISA-N 341.411 1.117 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(c2nc(C(C)C)ns2)CC1 1888890499 NYJSLJOEJDANON-GFCCVEGCSA-N 325.482 1.697 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC(Cn2cc(C)cn2)C1 1848696147 ILFQSTHOVKHRTD-UHFFFAOYSA-N 335.429 1.829 0 40 EDAB CCOc1nccn2c(CNC(=O)c3ccc(OC)c(F)c3)nnc12 244933155 CECDNQSMLOBBQV-UHFFFAOYSA-N 345.334 1.601 0 40 EDAB O=C1COC2(CCN(Cc3cnc[nH]3)CC2)CN1c1cccc(F)c1 2037838465 IBQMPGABMYHBCH-UHFFFAOYSA-N 344.390 1.947 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@](O)(COc2ccc(C)c(C)c2)C1 2037912902 CBYZOCYRNOIVIJ-GOSISDBHSA-N 334.416 1.172 0 40 EDAB O=C(CC1(O)CCC1)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 1565546982 CUWKFOSGGXIDAI-GOSISDBHSA-N 343.427 1.732 0 40 EDAB CC(C)N(C)CC(=O)N1CCCn2nnc(CN3CCCCC3)c2C1 1565544032 BBVRLHSYENXTMN-UHFFFAOYSA-N 348.495 1.337 0 40 EDAB COc1ccc(OC)c(Nc2nc3nonc3n3c(C)nnc23)c1 66738 GMSIQRQNDWXKAP-UHFFFAOYSA-N 327.304 1.730 0 40 EDAB COc1cc(NC(=O)CCC(=O)OCC(F)(F)F)nc(OC)n1 2491066 KXMJXCAUEKMHPB-UHFFFAOYSA-N 337.254 1.318 0 40 EDAB CCc1ccc(S(=O)(=O)NCC2CCN(CCOC)CC2)cc1 23127558 MAXJVEOMXSNVKH-UHFFFAOYSA-N 340.489 1.886 0 40 EDAB COc1cccc(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)c1 207976590 NHWQNEPZHZQGNT-UHFFFAOYSA-N 336.417 1.969 0 40 EDAB O=C(C1CCN(c2ncnc3[nH]ccc23)CC1)N1CCSCC1 2298047665 MDWYDDWVDYSDFO-UHFFFAOYSA-N 331.445 1.750 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N(Cc2cccnc2)C2CC2)o1 30571466 CXVHBRBIOLXHSJ-UHFFFAOYSA-N 335.385 1.388 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@H]2C)n(C)c1 40475999 ICLXILNDDLMCHS-LLVKDONJSA-N 333.413 1.525 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 40498525 NVSATSOVWFQCRV-CYBMUJFWSA-N 345.424 1.670 0 40 EDAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCCN1CCOCC1 40488864 SNMBAROEBRXGFG-HNNXBMFYSA-N 331.416 1.026 0 40 EDAB Cc1occc1C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1 40481320 WUNBISKQRVZNKQ-UHFFFAOYSA-N 343.431 1.864 0 40 EDAB CC(C)N(C)S(=O)(=O)N(C)Cc1cnn(Cc2ccccc2)c1 40539418 YNVJPRNDJIEOTF-UHFFFAOYSA-N 336.461 1.948 0 40 EDAB C[C@H](C(=O)NCc1ccc(OC[C@H]2CCCO2)cc1)S(C)(=O)=O 40540965 YQICLBSQMPFHOM-IUODEOHRSA-N 341.429 1.294 0 40 EDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 20725714 XYNTYIURXZOMAF-HNNXBMFYSA-N 348.790 1.893 0 40 EDAB CCc1nnc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 102287718 LAZDXWOYMSTDIQ-NXEZZACHSA-N 336.417 1.604 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@]1(C)CCS(=O)(=O)C1 32902394 LKEJAFDKXKVNIT-QGZVFWFLSA-N 348.424 1.886 0 40 EDAB O=S(=O)(N[C@@H]1CCN2CCCC[C@@H]12)c1ccc2c(c1)OCCO2 32929530 DSNKIZRSCCQRHL-KGLIPLIRSA-N 338.429 1.363 0 40 EDAB O=C(NCCc1ccc(Cl)cc1)c1cnc2n(c1=O)CCS2 211273 INEISHAGJAJWBC-UHFFFAOYSA-N 335.816 1.975 0 40 EDAB C[C@H](c1nc(=O)c2ccccc2[nH]1)N1CCC(N2CCNC2=O)CC1 53282568 CHVKKDJJHKFCFE-GFCCVEGCSA-N 341.415 1.474 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N1CCN(Cc2cccs2)CC1 47029142 HRMVIOULCBLMCC-AWEZNQCLSA-N 333.461 1.861 0 40 EDAB CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccccn1)CC2 72295908 WWPMIPBIBYFHSZ-UHFFFAOYSA-N 331.397 1.583 0 40 EDAB CN1CCC[C@@H](N(C)S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1 78881068 SJELHULLGMOIQP-ZIAGYGMSSA-N 327.450 1.687 0 40 EDAB CCCCS(=O)(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1S(=O)(=O)CCCC 1736460 BCTDADZBLWKRKR-CRWXNKLISA-N 338.491 1.715 0 40 EDAB CC(C)(CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CCOCC1 22618346 DNJIUDUGOYFYBL-UHFFFAOYSA-N 345.443 1.654 0 40 EDAB O=C(CCCCC(=O)N[C@@H]1CCCC[C@H]1O)N[C@@H]1CCCC[C@@H]1O 6261921 SJGRLYPQEVOQDD-FPCVCCKLSA-N 340.464 1.386 0 40 EDAB C[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 104697314 PJGNTUACQIYPDK-UKTARXLSSA-N 341.411 1.631 0 40 EDAB COc1ncccc1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1 42794466 JAQDVATUVXBKFS-UHFFFAOYSA-N 326.305 1.728 0 40 EDAB CCc1cccc(OC[C@H](O)Cn2cnc3c(cnn3C)c2=O)c1 42758148 JNQGYPMCUQWOJW-CYBMUJFWSA-N 328.372 1.132 0 40 EDAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccn(CC(=O)N2CCOCC2)n1 106912996 CZGBHOIAFOOMQR-KKUMJFAQSA-N 346.431 1.507 0 40 EDAB O=C(N[C@@]1(C(=O)O)CCSC1)[C@@H]1Cc2cc(Cl)ccc2O1 43509727 BKSDWYFAXUJCKI-FZMZJTMJSA-N 327.789 1.720 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)N3CCC[C@H]3C3CCCC3)cnc21 56034557 XSXZQFXYLCCUPP-HNNXBMFYSA-N 343.431 1.701 0 40 EDAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCC1CCC1 26138838 VBADNDMKOGUQIZ-UHFFFAOYSA-N 339.413 1.538 0 40 EDAB COc1cc(N2CCC[C@]3(CCN(C(=O)[C@H]4CCOC4)C3)C2)ncn1 107224616 JZEVHDYOAHXCHX-KSSFIOAISA-N 346.431 1.341 0 40 EDAB COc1ccccc1N1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 44268771 QONZQPNWWHIYLH-CQSZACIVSA-N 331.416 1.212 0 40 EDAB COc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1C(N)=O 26751727 QKDLPCCZLAVISS-NSHDSACASA-N 349.412 1.361 0 40 EDAB CCc1cc(=O)n(CC(=O)NCCOC)c(-c2cccc(Cl)c2)n1 57527482 ZMUIIQZKDOWFRP-UHFFFAOYSA-N 349.818 1.889 0 40 EDAB CCCS(=O)(=O)N[C@@H](C)C(=O)NCC1(c2ccc(F)cc2)CC1 58156439 JNJLUJSPMQBBBI-LBPRGKRZSA-N 342.436 1.691 0 40 EDAB COc1ccc(CCNC(=O)CN2CCC(c3cc[nH]n3)CC2)cc1 58224775 WCNAIYMWMYDIFT-UHFFFAOYSA-N 342.443 1.957 0 40 EDAB COC(=O)c1ccccc1S(=O)(=O)N1CCN2CCCC[C@@H]2C1 58210796 VETOPLXKPXOTBK-CYBMUJFWSA-N 338.429 1.332 0 40 EDAB CN(Cc1ccccc1)C(=O)CCNC(=O)CCNC(=O)C(C)(C)C 58264480 MWRBPHFZQSZPSZ-UHFFFAOYSA-N 347.459 1.704 0 40 EDAB CCOCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 12700900 DPBLIPKFQNRHQO-UHFFFAOYSA-N 340.445 1.173 0 40 EDAB Cc1cnc(N2CCC[C@]3(CO[C@H](C(=O)NC4CCC4)C3)C2)nc1 107788519 QVFRNYRBOADMCG-MAUKXSAKSA-N 330.432 1.829 0 40 EDAB Cc1cccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1C 58344009 FNHGJTQDQTZHQJ-QGZVFWFLSA-N 329.444 1.858 0 40 EDAB CC(=O)Nc1nc(CN2CCC(c3ccnn3CCO)CC2)cs1 58356380 JPXVZHMTGWPEQN-UHFFFAOYSA-N 349.460 1.670 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCCS(=O)(=O)c1ccccc1 58421572 SIGDXJZYJMHXGX-UHFFFAOYSA-N 336.461 1.358 0 40 EDAB CN1CCN(C(=O)c2cc(F)ccc2I)CC1 58421452 JEZSWXQMKOKPSS-UHFFFAOYSA-N 348.159 1.818 0 40 EDAB C[C@H]1CCCc2sc3ncn4nc(C(=O)NCCO)nc4c3c21 2340863 XVXFQRKZRSMKAU-QMMMGPOBSA-N 331.401 1.501 0 40 EDAB Cc1cccc(C)c1N(CC(=O)NCCCN(C)C)S(C)(=O)=O 10111399 ZKQHACKEPWDQPA-UHFFFAOYSA-N 341.477 1.137 0 40 EDAB O=C(c1ccncn1)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F 107722098 YHHIRJMVWFTTLI-KKUMJFAQSA-N 344.346 1.462 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@@H](C)n3ccnc3)CC2)cc1F 45875346 HAHXWIHUZXJLHG-CQSZACIVSA-N 346.406 1.936 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)[C@@H]1CCCO1 48306914 VAYHZEAFLZIOEQ-CJNGLKHVSA-N 329.404 1.693 0 40 EDAB CCN1C[C@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1=O 46111574 KEMVTSPIXGPIQQ-CYBMUJFWSA-N 342.399 1.291 0 40 EDAB CC(C)Cn1nnnc1SCCS(=O)(=O)c1ccccc1 29800458 NCCXIPIPBHENTE-UHFFFAOYSA-N 326.447 1.895 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccco1 2665043 XLTGNAPUXCDWQO-UHFFFAOYSA-N 345.374 1.887 0 40 EDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CCc1ccccc1 12893319 MYCWFVJXVUNSRY-UHFFFAOYSA-N 346.452 1.985 0 40 EDAB O=C(COc1ccc2ccccc2c1)OCC(=O)N1CCOCC1 3462851 KJQJYDVDZKGEFW-UHFFFAOYSA-N 329.352 1.621 0 40 EDAB O=C1NC(=O)[C@@]2(CCC[C@H]2CNC(=O)C2(c3ccccc3)CCC2)N1 84525108 UYBRWRISEIRBHV-LIRRHRJNSA-N 341.411 1.603 0 40 EDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)n1 71284484 BNOJIRMBDNMJAK-OLZOCXBDSA-N 343.387 1.883 0 40 EDAB Cc1cc(C)n2nc(CC(=O)NCCc3ccc(O)cc3)nc2n1 9134490 GTIFUJANWJAHOH-UHFFFAOYSA-N 325.372 1.348 0 40 EDAB CS(=O)(=O)NCCNC(=O)Nc1ccc(F)c(C(F)(F)F)c1 65439208 JKHIVSFGMNOLPE-UHFFFAOYSA-N 343.302 1.515 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1ccn(-c3ccc(F)cc3)n1)CC2 65463521 FTWDBUOSGTVHEV-ZDUSSCGKSA-N 340.362 1.656 0 40 EDAB Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1C[C@@H](C)C[C@H](C)C1 65490409 IBLGKTYNNUTXOP-RYUDHWBXSA-N 341.415 1.582 0 40 EDAB Cc1ccn2cc(C(=O)N3CSC[C@@H]3C(=O)N3CCCC3)nc2c1 65592576 RROVFPPKHQQURV-CQSZACIVSA-N 344.440 1.780 0 40 EDAB CCN(CCC(=O)OC)C(=O)CCCn1cnc2ccccc2c1=O 65554809 WLXCADHRQWJPKB-UHFFFAOYSA-N 345.399 1.588 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1C(=O)NCC1CCN(C)CC1 65622660 KFEXLQZZQONBNS-UHFFFAOYSA-N 338.473 1.940 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2c(F)cccc2F)NC(=O)N1 5517333 KOBIYMRPERWQMP-AWEZNQCLSA-N 337.326 1.452 0 40 EDAB Cc1cc(OC[C@@H](O)CN(CCO)CCO)c(C(C)C)cc1Cl 6790353 WFCUXCNIJYDTEN-AWEZNQCLSA-N 345.867 1.798 0 40 EDAB CCOC(=O)C[C@@](C)(O)CNC(=O)CCCc1ccc(OC)cc1 96011902 GXGSFRRNVIEKEA-GOSISDBHSA-N 337.416 1.838 0 40 EDAB CCNC(=O)c1cc(Cl)ccc1NC(=O)C1=NN(C)C(=O)CC1 67171645 MKXDQDVRPGRZEL-UHFFFAOYSA-N 336.779 1.636 0 40 EDAB Cc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)N1CCOCC1 15311349 AFGOOSJBMPEHNS-UHFFFAOYSA-N 326.418 1.610 0 40 EDAB CC(=O)N(CCS(=O)(=O)N1CCCCCC1)Cc1cccnc1 9344284 NCFQVRVTNMXGDF-UHFFFAOYSA-N 339.461 1.636 0 40 EDAB CCc1noc(C)c1C(=O)OCC(=O)NC(=O)NCCC(C)C 7653874 NHLPBSWTTZEVGU-UHFFFAOYSA-N 325.365 1.574 0 40 EDAB O=C1Cc2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)ccc2N1 7781657 LVHYXBGNRZBBAJ-UHFFFAOYSA-N 332.337 1.680 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CC(=O)Nc4ccccc43)cnc12 16228943 AHEQTBVMDXCZGY-UHFFFAOYSA-N 348.362 1.690 0 40 EDAB CNc1nc(C(=O)N2CCC(c3ccnn3CCO)CC2)cs1 97114556 HXJDVUUGUKGQPM-UHFFFAOYSA-N 335.433 1.393 0 40 EDAB COc1c(C)cnc(CN2CCC(N(C)[C@@H](C)C(N)=O)CC2)c1C 69377317 FCSHBUNTQPXKJR-AWEZNQCLSA-N 334.464 1.477 0 40 EDAB Cc1cc(C)n(C[C@H]2CN([C@@H](C)C(=O)NC3CCCC3)CCO2)n1 69413735 NWQJBZRQIIJTQB-DOTOQJQBSA-N 334.464 1.648 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@H](n3cccn3)C2)c1 69420693 DIDNFJGNNMUNMX-INIZCTEOSA-N 347.440 1.905 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCN([C@@H](C)c3nc(C)no3)CC2)on1 69434480 YZOQAFKTEZHFGY-NEPJUHHUSA-N 348.407 1.380 0 40 EDAB CN(C)S(=O)(=O)N(C)CCOC(=O)/C=C/c1ccc(Cl)cc1 69622772 BIAJQARRHNDXCS-RMKNXTFCSA-N 346.836 1.635 0 40 EDAB CC[C@@H]1CN(C(=O)CN2CCC[C@H](Cn3nc(C)nc3C)C2)CCO1 69698015 SAYFQRGNGXBWSQ-DLBZAZTESA-N 349.479 1.244 0 40 EDAB O=C(Cn1nc2n(c1=O)CCCCC2)N(CC(F)(F)F)C1CCC1 96456252 BIVPIEQTGMNMKH-UHFFFAOYSA-N 346.353 1.715 0 40 EDAB Cc1cc(C)n2c(CN3CCO[C@](C)(c4cnn(C)c4)C3)cnc2n1 92016698 QHYMBVAIKKGLFY-SFHVURJKSA-N 340.431 1.827 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)NCc3cccs3)C2)n1 69840494 USNOAVIGVOFJRC-OAHLLOKOSA-N 347.488 1.985 0 40 EDAB CN(C)C(=O)Cc1nc(CN2CCC[C@H]2Cn2cncn2)cs1 69810535 NQWYHNWJMPXWBL-ZDUSSCGKSA-N 334.449 1.030 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)OCC(=O)N2CCCCC2)c1N 69977567 ZNINRBYVVPDDLA-UHFFFAOYSA-N 342.399 1.932 0 40 EDAB COC(=O)c1cc(S(=O)(=O)Nc2n[nH]c3ccccc23)ccc1O 69971070 GPMOQLYWSBEASM-UHFFFAOYSA-N 347.352 1.856 0 40 EDAB CO[C@H](C(=O)N1CCCN(Cc2nccn2C)CC1)c1ccccc1 69946815 AHUHAGBMXQOGBO-SFHVURJKSA-N 342.443 1.842 0 40 EDAB Cc1csc2nc(CN3CCC[C@H]3Cn3cccn3)cc(=O)n12 69949384 AQCCQGPDHVTPFQ-AWEZNQCLSA-N 329.429 1.926 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 69917560 ZMNBMSBCYIVCKT-HIFRSBDPSA-N 330.432 1.620 0 40 EDAB COc1ccc(OC)c(C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)c1 69901009 ODGNDOYOWYGZFD-LLVKDONJSA-N 341.429 1.742 0 40 EDAB O=C(CN(C1CC1)S(=O)(=O)c1ccc(F)cc1F)NC1CC1 71855396 JGEPBWVEVZGDJL-UHFFFAOYSA-N 330.356 1.397 0 40 EDAB Cn1ncc2c(N3CCN(CC4(O)CCCCC4)CC3)ncnc21 71825056 UJIOMTQNSBIAPV-UHFFFAOYSA-N 330.436 1.181 0 40 EDAB CNc1cc2c(nn1)CCN(C(=O)Cc1cnn(-c3ccccc3)n1)C2 71860160 USWOTUOVZALGAF-UHFFFAOYSA-N 349.398 1.226 0 40 EDAB COc1ccc(C[C@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)cc1 71811018 QYOZOMMGYFZBDK-OAHLLOKOSA-N 343.427 1.300 0 40 EDAB COCCN1CCN(Cc2cn[nH]c2-c2cccc(C)c2)CC1=O 97051945 JICAEGXTKNQYLB-UHFFFAOYSA-N 328.416 1.676 0 40 EDAB CCOC(=O)CCN(CC1CC1)C(=O)c1cn(C)nc1SC 95458339 HNJAAYKDANZXQT-UHFFFAOYSA-N 325.434 1.947 0 40 EDAB Cc1cc(F)cc2[nH]c(C(=O)NC[C@@H](O)CN3CCOCC3)cc12 95442299 GFTRGKCDKAGTNQ-CYBMUJFWSA-N 335.379 1.038 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)OC[C@@H](O)COC(C)C)CC2=O)cc1 95454634 KTWLHQMEFAFLCM-ZBFHGGJFSA-N 335.400 1.677 0 40 EDAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCC(=O)OC 409241609 KIOGWVGNXJRKEX-XYOKQWHBSA-N 348.355 1.550 0 40 EDAB C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1)[S@](C)=O 95977569 KWKSRFHVEPKNIT-GKWPDEDLSA-N 336.816 1.579 0 40 EDAB O=C(Nc1cnn(CCN2CCOCC2)c1)[C@@H]1C[C@@H]1c1ccccc1 89827928 HDPQVYLASRXOEC-QZTJIDSGSA-N 340.427 1.958 0 40 EDAB COc1ccc([C@@H](CNC(=O)N[C@H](C)Cn2cccn2)N(C)C)cc1 89904368 GYDTUFJTAJJEMD-RHSMWYFYSA-N 345.447 1.882 0 40 EDAB COc1ccc(-c2noc(/C=C/c3cn(C)c(=O)n(C)c3=O)n2)cc1 75609990 HDFHZXJWKWDHPL-RMKNXTFCSA-N 340.339 1.313 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3cccnc3NC(C)C)CCO2)n1 76051405 WIUSPMTWGVTREA-ZDUSSCGKSA-N 330.392 1.542 0 40 EDAB COCC(=O)N1CCN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)CC1 543731610 JOUAOADCUMMJLA-QGZVFWFLSA-N 346.427 1.511 0 40 EDAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)C)=C2)c1 20467474 RCQNOXBIZJOHTL-UHFFFAOYSA-N 337.401 1.083 0 40 EDAB Cn1cc(-c2nn(C)cc2C(=O)NC[C@@]23CCC[C@@H]2OCC3)cn1 1551042240 FDPIDRIIAWRNAH-YOEHRIQHSA-N 329.404 1.510 0 40 EDAB CCOc1ccc2nc(NC(=O)CN3CCN(C=O)CC3)sc2c1 35999556 JKKZVLDMIRQPTC-UHFFFAOYSA-N 348.428 1.408 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)c2ccc(F)cc2)o1 78613834 NBFJBPLJVMOGGA-UHFFFAOYSA-N 347.389 1.643 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)CN2CCCCC2)cc1 31903755 WIXHTFAOKBUDIB-OAHLLOKOSA-N 326.462 1.462 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c1C 79358020 HLNJSQXCJLXZDJ-HNNXBMFYSA-N 340.427 1.796 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCOC 217428485 RDUCCTWOPXLJCR-SNVBAGLBSA-N 330.406 1.520 0 40 EDAB Cc1c2ncn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2nn1C 32647447 UFANXERCKHHKKU-UHFFFAOYSA-N 349.753 1.870 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)Cc2cccnc2)C1 72369561 LGAHRXPEFYSSHO-ZDUSSCGKSA-N 348.428 1.157 0 40 EDAB COCCN1CCCN(C(=O)c2cn(-c3ccccc3)nc2C)CC1 78979416 DHWRTLHZFWLYQE-UHFFFAOYSA-N 342.443 1.975 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)N[C@@H]2CCN(CC3CCCC3)C2)cn1 76205922 WKRUEEOSSODQJA-SJLPKXTDSA-N 349.479 1.191 0 40 EDAB Cn1cc(C(=O)Nc2ccc3nncn3c2)c([C@@H]2CCCNC2)n1 567462921 LTOVATVEGITZAL-LLVKDONJSA-N 325.376 1.182 0 40 EDAB COc1c(C)cc(C)cc1S(=O)(=O)NC(=O)[C@@H]1CCCOC1 225725913 NEQKTXITWXOYFV-GFCCVEGCSA-N 327.402 1.544 0 40 EDAB CC(C)Nc1ncc(C2=NO[C@](C)(C(=O)N3CCOCC3)C2)cn1 226084548 AIFOOCVSLMYXLA-INIZCTEOSA-N 333.392 1.039 0 40 EDAB CCCNC(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)c1ccc(OC)cc1 225401659 RDPCXAQAYLSLGI-JKSUJKDBSA-N 333.432 1.473 0 40 EDAB biogenic,in-vitro Cc1cccc(OCc2cn(CC(=O)NCc3cccnc3)nn2)c1 227160695 BPCKEAGHENNXEZ-UHFFFAOYSA-N 337.383 1.877 0 40 EDAB COc1cccc(N2Cc3nc(N4CCOCC4)ncc3C2=O)c1 41122941 WMFHPQJHFHKBLM-UHFFFAOYSA-N 326.356 1.482 0 40 EDAB CNC(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c(N)c1 225442334 HORIUHKDTOVIDC-UHFFFAOYSA-N 340.427 1.964 0 40 EDAB Cc1ccc2nc(CN3CCN(CCOC(C)C)CC3)cc(=O)n2c1 81637802 POLCBAOESCLPPB-UHFFFAOYSA-N 344.459 1.546 0 40 EDAB CCCCNC(=O)[C@@H]1CCCN(C(=O)Cn2ccc(C)cc2=O)C1 194506380 UGLGXNZKPXLCDR-OAHLLOKOSA-N 333.432 1.312 0 40 EDAB O=C1CCc2cc(S(=O)(=O)NC(=O)c3ccoc3)c(F)cc2N1 225471475 YSSYAHWMBUTKAK-UHFFFAOYSA-N 338.316 1.422 0 40 EDAB Cc1nc2ccc(N3CCN(Cc4cn5ccccc5n4)CC3)nn2n1 225537461 FKRQJZDHHUKVKH-UHFFFAOYSA-N 348.414 1.403 0 40 EDAB CC(C)O[C@@H]1CCN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)C1 572159417 LEVFRCIYJZEHHM-CYBMUJFWSA-N 343.401 1.338 0 40 EDAB CN1CCO[C@@H]([C@@H](NC(=O)c2cc[nH]n2)c2ccc(Cl)cc2)C1 195547651 GKJSTSAVWZSRTM-CABCVRRESA-N 334.807 1.865 0 40 EDAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(C)c2)C1 48369075 QSHWYHZFFAFMLA-ZDUSSCGKSA-N 326.418 1.894 0 40 EDAB CC(=O)Nc1cccc(NC(=O)c2cc(N3CCOCC3)on2)c1 224080972 RXYDWPRZXJJEPH-UHFFFAOYSA-N 330.344 1.722 0 40 EDAB COC(=O)CC(C)(C)NS(=O)(=O)c1c(F)c(F)cc(F)c1F 193773153 NJHZCYRRLHPKCB-UHFFFAOYSA-N 343.298 1.863 0 40 EDAB O=S1(=O)CCN(C2CCN(Cc3cc(O)cc(F)c3)CC2)CC1 191941083 DZQHSGBQWPNGRK-UHFFFAOYSA-N 342.436 1.226 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 96057035 POSASLCIEIEOJX-JKSUJKDBSA-N 329.462 1.776 0 40 EDAB Cc1ccccc1CN(C)C(=O)CN1CCC[C@@](O)(c2cnn[nH]2)C1 583618019 VBGWMJKCFYZMLX-SFHVURJKSA-N 343.431 1.055 0 40 EDAB COCCN1CC[C@H]2OCCC[C@]2(COCC(=O)N2CCCC2)C1 96039970 WCLWCGWEWIKNPW-SJLPKXTDSA-N 340.464 1.143 0 40 EDAB O=C1CC[C@@H](NC(=O)c2cnc3n2CCCC3)[C@H](c2ccccc2)N1 578604149 UBDKEQGHCAHULT-KDOFPFPSSA-N 338.411 1.969 0 40 EDAB O=C(/N=c1\[nH]nc([C@@H]2CCCO2)[nH]1)C1(c2ccccc2)CCOCC1 95474369 FHMIEUHHCMKTGQ-AWEZNQCLSA-N 342.399 1.765 0 40 EDAB O=C(NCCn1cccc1)c1cnn2cc(Br)cnc12 91983476 UGHBSBYMWPPVRK-UHFFFAOYSA-N 334.177 1.723 0 40 EDAB CN(C)Cc1cnc2n1CCN(C(=O)Cc1ccc(F)cc1)CC2 96196813 ALFJDMODESECHB-UHFFFAOYSA-N 330.407 1.711 0 40 EDAB C[C@@H](NC(=O)[C@@H](C)n1cccn1)c1ccc(S(C)(=O)=O)c(F)c1 96425823 CCDFTKTZOREBKW-GHMZBOCLSA-N 339.392 1.864 0 40 EDAB CNS(=O)(=O)CC(=O)NCc1ccc(-c2cccc(C)c2)cc1 96459700 AGBHRRSNTUSIPF-UHFFFAOYSA-N 332.425 1.827 0 40 EDAB Cc1nc(CO[C@H]2CO[C@@]3(CCN(C(=O)CN(C)C)C3)C2)cs1 96107789 OVIUWOJFLJNDPF-ZBFHGGJFSA-N 339.461 1.290 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 96428415 MJCMGHMNELNXMX-RWMBFGLXSA-N 342.509 1.780 0 40 EDAB Cc1noc(CN2CCN(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)CC2)n1 96415336 DZBIZAJFUXJRGD-HZPDHXFCSA-N 341.415 1.761 0 40 EDAB CN(C)S(=O)(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 96426083 AUALFZBQLCMISO-UHFFFAOYSA-N 341.820 1.768 0 40 EDAB C[C@H]1CN(Cc2cnn(C)c2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 96061283 UFPFKMOGXWDTCA-UCLAIMLFSA-N 346.475 1.706 0 40 EDAB O=S(=O)(N[C@@H]1CCNC1)c1ccc(Br)c(Cl)c1 95467152 BXJFWJXLVDHZEW-SSDOTTSWSA-N 339.642 1.743 0 40 EDAB Cc1nc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccc(F)cn3)C2)co1 257216226 CTPYGLOFZROHDS-KRWDZBQOSA-N 348.378 1.621 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1c1cccc(-c2cnc3ncccn23)n1 257249821 JJXGCVLRFYRHOI-AWEZNQCLSA-N 343.412 1.888 0 40 EDAB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1C[C@@H]2C[C@H]2C1 585124046 MBWNEQANBLFGQP-DZKIICNBSA-N 334.441 1.708 0 40 EDAB CCn1cc(S(=O)(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cn1 585115043 JYEGTUIZMSECCW-HUUCEWRRSA-N 346.456 1.660 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(N)C(=O)O)cc1 252515742 NBYQJVWOPYSNOZ-INMHGKMJSA-N 331.393 1.717 0 40 EDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccsc3)C2)ncn1 257268421 MLQAFDPMYFFNMA-MRXNPFEDSA-N 332.429 1.560 0 40 EDAB O=C(CC1(O)CCCCC1)NC[C@@]1(O)CCCN(c2ccccn2)C1 257303043 SFNXHIFQVZTHOD-IBGZPJMESA-N 347.459 1.614 0 40 EDAB Cc1cc(N)cc([C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1 257235421 GXTWLZJMIMXRJK-QGZVFWFLSA-N 343.431 1.465 0 40 EDAB O=C(CCn1ccnc1)N1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 257330910 XQNYDNRRWCODPG-IRXDYDNUSA-N 347.390 1.843 0 40 EDAB CCCn1nc(C)c(C(=O)N2CCO[C@@H](c3cnccn3)C2)c1C 257223427 DXIBPRHQTYYCNI-OAHLLOKOSA-N 329.404 1.914 0 40 EDAB Cc1ccc(CC(=O)NC[C@]2(O)CCN(c3ncccn3)C2)s1 257253285 JYHAJBZZQXLLHG-MRXNPFEDSA-N 332.429 1.147 0 40 EDAB CN(C)C(=O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3n2C)CCN1C 257235418 GXTQXAFKIVKIAB-INIZCTEOSA-N 346.406 1.162 0 40 EDAB COC(=O)[C@@H](C)CS(=O)(=O)N1CCO[C@@H](Cc2ccccc2)C1 271998706 RLMXQLFSOYHRLO-ZFWWWQNUSA-N 341.429 1.069 0 40 EDAB O=C(NCCS(=O)(=O)CC1CCC1)c1cc2n(n1)CCCC2 1615044282 MLUHCSGDBBBBEC-UHFFFAOYSA-N 325.434 1.164 0 40 EDAB CC(C)n1nnnc1SCC[C@@H](N1CCOCC1)C(F)(F)F 1615001828 UTPVUNZLXCWVGM-SNVBAGLBSA-N 339.387 1.999 0 40 EDAB Cn1ncc(C(=O)NC2CC2)c1NS(=O)(=O)c1cccc(F)c1 1616041274 NLSRNSCZYCWJDB-UHFFFAOYSA-N 338.364 1.252 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)O)s1 571835721 LIKAPEHOFJGESS-MNOVXSKESA-N 333.431 1.523 0 40 EDAB CC(C)(C)OC(=O)[C@]1(NC(=O)c2ccc(O)c(F)c2)CCOC1 585141500 ANXKTKZBTKNYJR-INIZCTEOSA-N 325.336 1.762 0 40 EDAB Cc1ccc(CN2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)cc1 585104419 IFVQPDVOPKNOPI-MRXNPFEDSA-N 338.473 1.525 0 40 EDAB CCn1ccc(C(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)n1 585278066 PWDQIZLVPTXLPD-GOSISDBHSA-N 329.400 1.349 0 40 EDAB COCCN(C(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O)C1CC1 65462320 HYMQTROSCNOZKZ-UHFFFAOYSA-N 342.399 1.320 0 40 EDAB NC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 69452573 MVYFWMFZLHQPGG-HOTGVXAUSA-N 337.379 1.644 0 40 EDAB O=C(NCc1nnc2n1CCCC2)NC[C@H]1COc2ccccc2O1 43077104 KJFUNCCAQJQLNV-LBPRGKRZSA-N 343.387 1.254 0 40 EDAB O=C(NCc1cn2ccccc2n1)NC[C@@H]1COc2ccccc2O1 44895144 RQDFIWXNULAIKK-CQSZACIVSA-N 338.367 1.974 0 40 EDAB CN1N=C(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)CCC1=O 44915385 XIMSBDBCSDLNIS-LBPRGKRZSA-N 337.763 1.580 0 40 EDAB CC(C)N(CCCNC(=O)N[C@H](C)c1cccnc1)S(C)(=O)=O 48068214 RIYWFMONWNPHLT-CYBMUJFWSA-N 342.465 1.502 0 40 EDAB O=C(COc1ccc(F)cc1)NCCCn1nc2ccccn2c1=O 53158937 GOMNFNWQOZTKMP-UHFFFAOYSA-N 344.346 1.220 0 40 EDAB CC(C)NC(=O)CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 75572834 DMMMUBYPQNZGIE-GFCCVEGCSA-N 327.450 1.112 0 40 EDAB O=C(OCc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@@H]1COCCO1 84421952 BMOKQWVDSYIOFD-KRWDZBQOSA-N 346.358 1.959 0 40 EDAB CCc1cc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)n(C)n1 76070482 PREVGKPUHJIMHN-CQSZACIVSA-N 345.403 1.888 0 40 EDAB CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 97002840 DEHBLYBBBIMSAT-CYBMUJFWSA-N 342.436 1.545 0 40 EDAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCCN1CCOCC1 98071207 IPUKQIQOGUZJJB-UHFFFAOYSA-N 349.822 1.291 0 40 EDAB O=C(O)[C@H](NS(=O)(=O)CC1CC1)c1ccccc1Br 547873182 XBMFZEOMDVZTES-LLVKDONJSA-N 348.218 1.904 0 40 EDAB Cc1cc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)no1 661179550 MLTKKZFGRHEMGE-IYBDPMFKSA-N 325.368 1.600 0 40 EDAB O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2)NC1CC1 105698177 BVOUDJBKZAELBB-IBGZPJMESA-N 342.395 1.682 0 40 EDAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CC2(CC(=O)N(C)O2)C1 1549162951 XDWOSEVXZUZEPZ-UHFFFAOYSA-N 329.278 1.397 0 40 EDAB Cc1cnc(CNC(=O)[C@@H]2CN(C)[C@H]3c4ccccc4OC[C@@H]23)cn1 1772595844 NZBVAOUZXGURES-RYRKJORJSA-N 338.411 1.713 0 40 EDAB COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2ccco2)C3)cc1 12346307 FYVXZGUKYGTPTQ-MRXNPFEDSA-N 339.351 1.939 0 40 EDAB Cc1ccccc1Cn1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 13960208 ONMJLDCACDZQAE-FSDCSDTHSA-N 337.379 1.907 0 40 EDAB CCOC(=O)[C@@](NCc1ccccc1OC)(NC(C)=O)C(F)(F)F 19939243 DARINAFSFGCDGD-CQSZACIVSA-N 348.321 1.743 0 40 EDAB CCOc1ccccc1-n1nnc(C(=O)NC[C@@H]2CCCO2)c1N 4985147 SZYRKYLQPKGFQX-NSHDSACASA-N 331.376 1.157 0 40 EDAB COC[C@H](C)NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 5438110 GZAYWWMJHHYMML-VIFPVBQESA-N 340.449 1.475 0 40 EDAB Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCc1cccc(O)n1 540794359 MKAPJUSNQVTHCK-HNNXBMFYSA-N 338.371 1.182 0 40 EDAB CC(=O)N1CCC(C(=O)N2[C@H]3CC[C@H]2CC(n2nccn2)C3)CC1 245170761 XFAXGPNVNJVJIV-GJZGRUSLSA-N 331.420 1.231 0 40 EDAB CC(=O)NCC(=O)N1CC[C@H](c2nc(Cc3cccs3)no2)C1 19021280 NZNHKONWXJGLET-NSHDSACASA-N 334.401 1.174 0 40 EDAB CC(C)c1nc(N2CCN(C(=O)c3cnc[nH]3)CC2)nc(O)c1F 1888855905 VYOBUAHALGMSAP-UHFFFAOYSA-N 334.355 1.130 0 40 EDAB COc1ccccc1OCC(=O)NCC1(O)CSCCSC1 1888864444 SCZOLJAEFBUYNA-UHFFFAOYSA-N 343.470 1.401 0 40 EDAB c1cn(-c2cc(N3CCN(c4cc(C5CC5)ncn4)CC3)ncn2)cn1 1888899267 ARMSOQHMHJXGLR-UHFFFAOYSA-N 348.414 1.656 0 40 EDAB CN(c1ncc(Cl)cn1)C1CCN(c2nccn(C)c2=O)CC1 1889078512 IMLGZZATOJOVDJ-UHFFFAOYSA-N 334.811 1.329 0 40 EDAB Cc1cc(OC2CN(S(=O)(=O)c3cn(C(C)C)cn3)C2)ccn1 1889151305 NOJVYGZIRNAPOH-UHFFFAOYSA-N 336.417 1.619 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CC[C@@](O)(CN2CCCC2)C1 1848352423 BBRCQRPTJBNLBL-GOSISDBHSA-N 332.400 1.131 0 40 EDAB Cn1cc(N2C[C@@]3(CCN(C(=O)CCc4ccc[nH]4)C3)CC2=O)cn1 1565552088 JSYMLIKTULUITH-SFHVURJKSA-N 341.415 1.336 0 40 EDAB CN1CCO[C@H]2CN(C(=O)c3cc4ccccc4n3C)CC[C@@H]2C1 1565553068 IWIXRUHANYQAED-QAPCUYQASA-N 327.428 1.971 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nnc(-c2ccco2)o1 13792851 DJLXCSYFCFXSIF-SECBINFHSA-N 340.361 1.082 0 40 EDAB O=C(NCc1ccc(C(=O)c2ccco2)s1)C(=O)Nc1ccon1 206679471 NEOBAARWQPFZDT-UHFFFAOYSA-N 345.336 1.815 0 40 EDAB Cn1cccc(C(=O)NC[C@@](C)(O)c2cc3ccccc3o2)c1=O 217984837 IPHICOZPTJYSSV-GOSISDBHSA-N 326.352 1.769 0 40 EDAB O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)c1c[nH]c2ccccc12 575617729 WKKJUCJMZCVDPE-GFCCVEGCSA-N 347.382 1.614 0 40 EDAB NCCn1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)c2nccnc21 19368648 NDIZNYOHQBDYHD-CQSZACIVSA-N 336.399 1.415 0 40 EDAB Cc1ccc(-n2ncc3c(C4CC4)nn(CC(N)=O)c(=O)c32)cc1C 36665470 RAFGAPJXKRXUJS-UHFFFAOYSA-N 337.383 1.562 0 40 EDAB CN(Cc1ccc(C(N)=O)cc1)C(=O)c1cc(=O)[nH]c2ccccc12 31166589 AREJZPLWYLOOCR-UHFFFAOYSA-N 335.363 1.899 0 40 EDAB CC(=O)N[C@H](C(=O)Nc1ccc(-n2cncn2)nc1)C1CCCC1 40497002 RZEWJIYNTKYXRF-HNNXBMFYSA-N 328.376 1.296 0 40 EDAB CCN1CCC[C@H]1CNC(=O)c1ccc(Cn2ccccc2=O)o1 40489005 YWRVZBXSIKZXFT-AWEZNQCLSA-N 329.400 1.704 0 40 EDAB CN(C)C1CCN(C(=O)CCn2c(=O)n(C)c3ccccc32)CC1 40513488 CWBIDUWXUMOIIT-UHFFFAOYSA-N 330.432 1.283 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3C[C@H](C)O[C@@H](C)C3)c(C)c12 40511999 ARKDQJYTYFLOOG-QWRGUYRKSA-N 346.431 1.447 0 40 EDAB CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cn1 40508712 PKNFVSUNPZIFMG-VIFPVBQESA-N 330.310 1.497 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccnc1N(C)C 40525138 YSWJUFRFRUFYCG-WBMJQRKESA-N 327.384 1.992 0 40 EDAB CCOc1cc(C2C(C(=O)OC)=CN(C)C=C2C(=O)OC)ccc1O 223158 NRUIYLVEPTXHDH-UHFFFAOYSA-N 347.367 1.934 0 40 EDAB CCc1[nH]c(C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)c(C)c1C(=O)OC 101458411 PJOMAFLKZLECET-QWRGUYRKSA-N 333.388 1.165 0 40 EDAB O=C1NCCN1C1CCN(Cc2nc(-c3ccsc3)no2)CC1 52215416 ROYYSRWHMARXOB-UHFFFAOYSA-N 333.417 1.788 0 40 EDAB COc1ccc(OC[C@H](O)Cn2ncc(=O)c3ccccc32)cc1 32815366 ZBSSPAVGHYUZOC-CYBMUJFWSA-N 326.352 1.845 0 40 EDAB CCn1ncc2c1C(=O)N[C@H]1c3ccc(OC)c(OC)c3C(=O)N21 488602 NIMKQHLUJOBMEH-CQSZACIVSA-N 328.328 1.323 0 40 EDAB biogenic COC[C@@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 426908 XTCHGAWZFRJDQM-SNVBAGLBSA-N 331.397 1.982 0 40 EDAB CCCCN(C)C(=O)Cn1cnc2sc(C(N)=O)c(C)c2c1=O 2888661 MYLJHQPLOPJADK-UHFFFAOYSA-N 336.417 1.124 0 40 EDAB C[C@@H](c1nc(=O)c2ccccc2[nH]1)N1CCC(N2CCNC2=O)CC1 53282566 CHVKKDJJHKFCFE-LBPRGKRZSA-N 341.415 1.474 0 40 EDAB C[C@H](CNC(=O)c1cc(-c2cccc(F)c2)no1)N1CCOCC1 41830937 PIABHAXTEWNTEW-GFCCVEGCSA-N 333.363 1.931 0 40 EDAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 103478706 JFGHOLDGIPCTTE-ZJMHZOEWSA-N 336.391 1.987 0 40 EDAB NC(=O)N[C@@H](CC(=O)N1CCC1)c1cccc(Br)c1 78560139 IBBIMRMDHVLWFV-NSHDSACASA-N 326.194 1.781 0 40 EDAB CCCc1cc(C(=O)N2CCN(Cc3noc(CC)n3)CC2)[nH]n1 78778068 SVZGWIULBKMAKH-UHFFFAOYSA-N 332.408 1.266 0 40 EDAB O=S(=O)(O)c1cccc2c(NCCN3CCOCC3)cccc12 2510948 GTJQOFWJJRWILH-UHFFFAOYSA-N 336.413 1.831 0 40 EDAB CCCCn1nnc(NC(=S)NC(=O)c2cccc(OC)c2)n1 6636093 WPXPGPPUJNNKIL-UHFFFAOYSA-N 334.405 1.609 0 40 EDAB CN(C)C(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 7719146 ZAONWVFOHLONGA-UHFFFAOYSA-N 340.379 1.715 0 40 EDAB COCCNC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 8479742 XPBWRXDGIMFBBE-UHFFFAOYSA-N 328.434 1.304 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccccc1 102434247 YAUJOEZIYZSDQI-MGBSGCIJSA-N 341.363 1.444 0 40 EDAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(C)=O)cc2)CC1 9064316 HPIWSBHPCRUQOS-UHFFFAOYSA-N 348.472 1.968 0 40 EDAB Cc1cc(C)n(CCN2CCC[C@@H]([C@]3(C)NC(=O)N(C)C3=O)C2)n1 107142768 QTVYBJAYKXJGDH-PBHICJAKSA-N 333.436 1.152 0 40 EDAB O[C@H]1O[C@@H]2CC[C@@H]3C[C@H]4[C@@H]([C@H]32)[C@H]1[C@H]1[C@H]2[C@@H]4C[C@H]3CC[C@@H](O[C@H]1O)[C@@H]23 104290462 LLQSWWSEGPPGKJ-JSALIBGRSA-N 332.440 1.991 0 40 EDAB NC(=O)N1CCC(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 48088007 XLNFQUMSMHLQPE-AWEZNQCLSA-N 334.420 1.323 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)[C@H]1Cc2cc(Cl)ccc2O1 44721625 VWGCPNBNWWQDEB-NOZJJQNGSA-N 329.805 1.194 0 40 EDAB Cc1c(C)c2ccc(OCC(=O)NCCCC(=O)O)cc2oc1=O 2100772 XIMGYEOAJWRIJF-UHFFFAOYSA-N 333.340 1.770 0 40 EDAB biogenic COc1ccccc1OCCN(C)CCn1nc2ccccn2c1=O 44976885 METQTYGNIXVHHV-UHFFFAOYSA-N 342.399 1.515 0 40 EDAB Cc1cc(CS(=O)(=O)CCC(=O)N2CCc3ccccc32)on1 44909159 REPXDUWIDZKFJV-UHFFFAOYSA-N 334.397 1.877 0 40 EDAB Cc1nn(CC(=O)NC[C@H]2CCN(C3CC3)C2)c(=O)c2ccccc12 44934384 YHGMPZNKWKDEGM-CQSZACIVSA-N 340.427 1.305 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)CCc2nc(C(C)(C)C)no2)C1 44934823 QIFWUHBEFAWPBR-LBPRGKRZSA-N 346.435 1.834 0 40 EDAB CN(C)C(=O)C[C@H](NC[C@H]1CNc2ccnn2C1)c1ccccc1 58315944 FWAXMYURXZKOPT-HOCLYGCPSA-N 327.432 1.734 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 58344415 GGXRNAVSDJHUEO-XJKSGUPXSA-N 336.457 1.860 0 40 EDAB COc1ccc(CCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1OC 58394305 KTQQEBUQGMBOBT-CVEARBPZSA-N 348.443 1.616 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Cn1ccc(=O)c2ccccc21 58421685 ALGQSGXIHOZWQN-STQMWFEESA-N 329.400 1.421 0 40 EDAB C[C@@H](C(=O)N1CCCCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100769073 NFCZNHLXKGLFKM-WEOIMSBESA-N 328.412 1.441 0 40 EDAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1nnc(C(C)C)s1 105828329 TUXLCAUNPRXMHS-UHFFFAOYSA-N 347.404 1.685 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCc2cccs2)on1 45298317 PEDAOIDJNCTNLR-JTQLQIEISA-N 328.415 1.664 0 40 EDAB Cc1cccc(NC(=S)N2CCC3(CC2)NC(=O)NC3=O)c1C 10942346 QICAETZYYWTZSJ-UHFFFAOYSA-N 332.429 1.674 0 40 EDAB O=C(NC1(c2ncon2)CCOCC1)c1cc(-c2ccccc2)[nH]n1 97108966 FCIBZEMTBGWMKK-UHFFFAOYSA-N 339.355 1.895 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-n3cccn3)cc2)C1 29191742 YGKCEUGJXLRURA-AWEZNQCLSA-N 348.428 1.026 0 40 EDAB O=S1(=O)CC[C@@H](N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)C1 45811100 ULLWLNBGKMGOMR-GFCCVEGCSA-N 349.861 1.680 0 40 EDAB O=C(Cn1cnc2c(sc3ncccc32)c1=O)NCc1ccco1 45895495 OAPUSLVOYGMKLV-UHFFFAOYSA-N 340.364 1.916 0 40 EDAB COc1ccccc1CN(C)C(=O)CN(C)c1ncnc2[nH]cnc12 45978313 CGWMMLOVUSYIRX-UHFFFAOYSA-N 340.387 1.456 0 40 EDAB CC(=O)NCCNC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 48362259 NLEVVULBPAUFMB-KRWDZBQOSA-N 349.431 1.980 0 40 EDAB CCn1cc(C(=O)N[C@H]2CCC(=O)NC2)c(=O)c2cc(Cl)ccc21 97375980 AUDGOTBEQPJDFI-NSHDSACASA-N 347.802 1.683 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc2c(c1)OCCO2 12803768 WRUPBZZVDSXTSD-NSHDSACASA-N 344.419 1.484 0 40 EDAB CCOCCCNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 8939706 YZFXJKGXTJJLIV-WBMJQRKESA-N 325.409 1.030 0 40 EDAB C[C@H](Sc1nnc(N)s1)C(=O)NCc1ccc2c(c1)OCO2 3513201 JEDGZUVDVNLPMZ-ZETCQYMHSA-N 338.414 1.646 0 40 EDAB Cc1ccc(-n2nnc(C(=O)N3CCC[C@H](CC(N)=O)C3)c2C)cc1 72309375 WYLRCHLYJWCGDC-CQSZACIVSA-N 341.415 1.612 0 40 EDAB COc1ccc(C)cc1C(=O)CN1C(=O)N[C@]2(CCSC2)C1=O 71185597 RFIINAAMEZBPFB-INIZCTEOSA-N 334.397 1.614 0 40 EDAB CCCCCn1c(SC[C@@H](C)O)nc2c1c(=O)[nH]c(=O)n2C 13590360 QDVZYENCBAPCDE-SECBINFHSA-N 326.422 1.086 0 40 EDAB Cc1ccc(/C=C/C(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1 6052891 FHNOQNOHPRYWQX-RMKNXTFCSA-N 332.381 2.000 0 40 EDAB Nn1cc(-c2ccccc2)nc1SCC(=O)NC[C@@H]1CCCO1 6110619 HKWVJICTELZHHH-ZDUSSCGKSA-N 332.429 1.651 0 40 EDAB Cc1ccc(-c2nnn(C[C@@H](O)CN3C[C@H](C)O[C@H](C)C3)n2)cc1 65475217 LJGCKPQFYZNMGV-LZWOXQAQSA-N 331.420 1.119 0 40 EDAB CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 65536532 LRBHXHUCBZHEGM-MCIONIFRSA-N 344.477 1.012 0 40 EDAB Cc1c(CC(=O)NC[C@@H]2CCCO2)c(=O)oc2cc(O)cc(O)c12 5350605 MIUQJYJMHSBYSV-NSHDSACASA-N 333.340 1.350 0 40 EDAB NC(=O)CN1CCC(NC(=O)COc2cccc3ccccc23)CC1 14188547 PUWPOTAGBGUOAK-UHFFFAOYSA-N 341.411 1.285 0 40 EDAB CC(=O)c1c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nc(=O)[nH]c1C 14116979 URORWRUAGVNSBS-GHMZBOCLSA-N 339.417 1.057 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 65610002 ITIPMMLICYIVRV-UKRRQHHQSA-N 340.489 1.963 0 40 EDAB Cc1ccc(S(=O)(=O)NCCc2csc3ncnn23)cc1C 5482905 OCWZWWVUIMAXFR-UHFFFAOYSA-N 336.442 1.929 0 40 EDAB COc1cncc(N2CCN(Cc3c(C)nc4sccn34)CC2)n1 93477365 XIQMWDYSHCWSNT-UHFFFAOYSA-N 344.444 1.825 0 40 EDAB NS(=O)(=O)c1cccc(NC(=S)NCCc2ccccc2)c1 4867478 KTYROQVSKLXYOP-UHFFFAOYSA-N 335.454 1.863 0 40 EDAB Cn1c(CNCC2CCN(S(C)(=O)=O)CC2)nc2ccccc21 66991605 YBRMYBOAZYTQRG-UHFFFAOYSA-N 336.461 1.335 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)N1CCN(c2ccc(F)cc2)CC1 67125983 DNXJECSBZXVFLB-UHFFFAOYSA-N 337.395 1.999 0 40 EDAB COCCCn1c(SCC(=O)c2ccc(F)cc2)n[nH]c1=O 7348269 BKSALYYJFAPSHK-UHFFFAOYSA-N 325.365 1.722 0 40 EDAB C[C@H](NC(=O)COC(=O)C1=COCCO1)c1ccc2c(c1)OCO2 7655641 HYRCXLKTHMKETP-JTQLQIEISA-N 335.312 1.024 0 40 EDAB Cc1ccc(Br)cc1NC(=O)c1cn(CC(=O)O)nn1 90718492 KENQXLAAYCBOOB-UHFFFAOYSA-N 339.149 1.686 0 40 EDAB C[C@@H]1C[C@H]1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 16582799 QNZZNVNNIRQMCC-UKRRQHHQSA-N 345.399 1.562 0 40 EDAB COc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1OC 9548961 UTXHBJVRWKMFGN-UHFFFAOYSA-N 343.343 1.267 0 40 EDAB CCNC(=O)CN1CCN(C(=O)C[C@H](C)CCc2ccccc2)CC1 69006217 HNPSJRMPTONLRF-QGZVFWFLSA-N 345.487 1.926 0 40 EDAB CN1CCN(Cc2cccc(C(=O)NCC[C@@H]3CCCO3)c2)CC1 72863681 NDSAFIMFAFKGKG-SFHVURJKSA-N 331.460 1.733 0 40 EDAB COc1ccc(CC(=O)N2CCN(C[C@H]3CCCCN3C)CC2)cc1 71885844 RTMOSMTZSHFTKP-GOSISDBHSA-N 345.487 1.866 0 40 EDAB O=C(NCCCn1ccnc1)Nc1ccn(CCc2ccccn2)n1 69418543 SXWRDDARLUFKMR-UHFFFAOYSA-N 339.403 1.929 0 40 EDAB Cn1ccnc1CNCC1CCN(C[C@@H](O)c2ccccc2)CC1 69490702 DHTLOMYSHSXPME-GOSISDBHSA-N 328.460 1.955 0 40 EDAB CNC(=O)c1ccc(NC(=O)N[C@H]2CCCN(C(=O)OC)C2)c(C)c1 69585046 GDMSQUOLXPJMNS-ZDUSSCGKSA-N 348.403 1.707 0 40 EDAB COC(=O)N1CCCN(C(=O)NCCN(C)c2ccccc2)CC1 69588465 AIXYCMMUUJQLJF-UHFFFAOYSA-N 334.420 1.607 0 40 EDAB O=C(CN1C(=O)CCCc2ccccc21)NCCNc1ncccn1 69527705 QXSPXLYJBZLMRI-UHFFFAOYSA-N 339.399 1.374 0 40 EDAB NC(=O)c1cnn2c1NC[C@@H](CNC1(c3ccccc3)CCC1)C2 69582344 DRTSGLBARDSAQF-ZDUSSCGKSA-N 325.416 1.693 0 40 EDAB CN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ncnc2[nH]cnc12 71818674 LAHOFRMVQKZLJC-VIFPVBQESA-N 342.325 1.590 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1cn3c(C)cc(C)nc3n1)CC2 71871763 JVTXGSHVHLWSSW-CYBMUJFWSA-N 325.420 1.605 0 40 EDAB CCn1c(=O)n(CC(=O)N[C@](C)(CC(C)C)C(N)=O)c2ccccc21 69705004 NWVIWZDTSKRYQK-GOSISDBHSA-N 346.431 1.229 0 40 EDAB CCNC(=O)N1CCN(CC(=O)c2[nH]c(C)c(C(C)=O)c2CC)CC1 69738565 GKAFHLVBCXNKNE-UHFFFAOYSA-N 348.447 1.618 0 40 EDAB O=C1CCN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)CCN1 71839552 XYULVIJWRYJDIJ-UHFFFAOYSA-N 345.399 1.079 0 40 EDAB Cc1cc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc(N)n1 71833155 IGVAIEXCPITRKG-UHFFFAOYSA-N 329.379 1.398 0 40 EDAB C[C@H](Cn1cccn1)C(=O)N1CCCN(Cc2cscn2)CC1 69875060 VQBHATNVINYTMS-CQSZACIVSA-N 333.461 1.710 0 40 EDAB CNC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 83881778 GTFQVSXOFYNZER-NSHDSACASA-N 348.262 1.789 0 40 EDAB C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)NC1CC1 8735896 PTBIZRWSOJUWGA-QGHHPUGFSA-N 346.408 1.826 0 40 EDAB C[C@]1(C(=O)NCC(=O)OCC2CC2)CCCN1C(=O)c1ccccc1 71909755 HOUZHPBRVQLNFP-LJQANCHMSA-N 344.411 1.751 0 40 EDAB CCOC(=O)C1=C(CSc2ccc(Cl)nn2)NC(=O)N[C@@H]1C 95347494 HIBPVMIGKPRZDD-SSDOTTSWSA-N 342.808 1.741 0 40 EDAB CCN(C[C@@H]1CN(Cc2nnc(C3CC3)o2)CCO1)c1cccnn1 84774693 CLEKEKWCOSMPBL-AWEZNQCLSA-N 344.419 1.464 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@@H]1N1CCOCC1 84735643 HLKADKIADSLXSB-ZACQAIPSSA-N 334.464 1.630 0 40 EDAB O=C(Cn1cc(Br)cn1)NC(=O)NCc1ccco1 72291240 PIYRMGQGJNPJCZ-UHFFFAOYSA-N 327.138 1.265 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cnc2sccn2c1=O 24994741 XRQLGKIFFLZHDB-LLVKDONJSA-N 329.385 1.297 0 40 EDAB COCC(=O)N[C@H](C(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1F)C(C)C 95400439 AUQQSELRCPQYFY-INWMFGNUSA-N 340.370 1.724 0 40 EDAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1nc(-c2ccccc2)no1 25254521 FVALGARXKQMYSB-UHFFFAOYSA-N 340.339 1.970 0 40 EDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)Cc1nc(C)n[nH]1 75144520 HBFQUGWCFQGTBD-INIZCTEOSA-N 341.415 1.608 0 40 EDAB COc1ccc(F)cc1[C@@H](C)NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 89904579 DENYUKYMYRTASV-PWSUYJOCSA-N 344.408 1.724 0 40 EDAB CCCc1noc2nc(C)cc(C(=O)N3CCN(CCO)CC3)c12 75572819 AWFHDZNXOVHXBT-UHFFFAOYSA-N 332.404 1.234 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1Cl 75602372 IGEIJJKAMJKTJE-LLVKDONJSA-N 347.868 1.870 0 40 EDAB C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@@H]1N1CCOCC1 76053694 RYLGZCPWUKRWNA-YOEHRIQHSA-N 330.428 1.343 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)C(C)C)cc1 23714444 IBDBRWSLZYBMMZ-GFCCVEGCSA-N 328.434 1.476 0 40 EDAB C[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccncc1 36644348 OWKRQWJUCNWCNV-LBPRGKRZSA-N 345.424 1.895 0 40 EDAB O=C(NCCCC(=O)N1CCc2ccccc21)NC[C@@H]1CCOC1 78925168 FGDBZEVEMBVISS-AWEZNQCLSA-N 331.416 1.692 0 40 EDAB NC[C@@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218504504 DSLGTRKEFZYQDB-IXDOHACOSA-N 335.400 1.703 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)O)c1 217547563 UGTMQBQNQJFYNY-LLVKDONJSA-N 342.417 1.662 0 40 EDAB Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ncoc4C)C[C@H]3C2)n1 1065970511 XMSADTHKGREKRC-OKILXGFUSA-N 327.388 1.598 0 40 EDAB CC(C)n1cc(C(=O)Nc2cnccc2N2CCN(C)CC2)cn1 527039160 RPOBZFVUDJNJFK-UHFFFAOYSA-N 328.420 1.863 0 40 EDAB CC[C@H](C(=O)N1CC(S(=O)(=O)c2nccn2C)C1)c1ccccc1 225677311 LBDCRSKZBRTZDH-HNNXBMFYSA-N 347.440 1.598 0 40 EDAB CCOC[C@H]1CN(C(=O)NC2CC(N3CCCCC3)C2)CCO1 527898934 ZBJHPBLXISGHBO-UYSNPLJNSA-N 325.453 1.450 0 40 EDAB CCc1nnc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)s1 44900766 KLKPPNIJRFDXRB-JTQLQIEISA-N 345.384 1.829 0 40 EDAB Cc1cc(S(=O)(=O)NCc2nnc3n2CCCC3)cc(C)c1F 192953768 CQNJZECZCYRGFE-UHFFFAOYSA-N 338.408 1.849 0 40 EDAB CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1 84757327 HJWLJNBZVZDLAQ-UHFFFAOYSA-N 337.449 1.502 0 40 EDAB in-man COc1ccc(C(=O)N[C@H]2CO[C@@H](CN3CCC(C)CC3)[C@@H]2O)cc1 514288401 CPDHMWDYDDLEEU-OKZBNKHCSA-N 348.443 1.285 0 40 EDAB biogenic,in-vitro O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc[nH]c1=O 44226002 MKJKXLMMKRHAME-GHMZBOCLSA-N 335.385 1.111 0 40 EDAB CCOC(=O)N1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1 222638090 ZYALQTVWPOXJLA-UHFFFAOYSA-N 348.399 1.691 0 40 EDAB COc1cccc([C@@H](CC(=O)O)NC(=S)Nc2ncccn2)c1 225216911 DBGCDWCPLBPVNL-GFCCVEGCSA-N 332.385 1.988 0 40 EDAB COc1ccccc1C[C@H]1CCCN1S(=O)(=O)c1cnnn1C 330103951 IXLKNHCZYYCCMH-CYBMUJFWSA-N 336.417 1.220 0 40 EDAB C[C@H](c1ccccn1)N(C)C(=O)CN1CCN(c2ccccn2)CC1 96436254 CFOFMSMCXWDIGJ-MRXNPFEDSA-N 339.443 1.818 0 40 EDAB Cc1ccc(C(=O)N2CCc3c(nnn3C)[C@H]2COCC2CC2)o1 96068736 SLIFMRHVGXUYPW-CQSZACIVSA-N 330.388 1.883 0 40 EDAB C[C@@H](NC(=O)COC[C@@H]1CCCO1)c1ccc(N2CCNC2=O)cc1 585089794 CNPSARDBVIMTGN-CJNGLKHVSA-N 347.415 1.589 0 40 EDAB COc1ccc(C[C@H]2CN(S(=O)(=O)N(C)C)CC[C@H]2OC)cc1 96110275 QCGMPVBKHRZSKG-GOEBONIOSA-N 342.461 1.381 0 40 EDAB Cn1cc(CN2CCC3(CC2)CN(c2cccnc2)C(=O)CO3)cn1 96070216 NMDSNEHFZWDESJ-UHFFFAOYSA-N 341.415 1.213 0 40 EDAB CC(=O)N1[C@H](CN2CCCC2)C[C@@H]2CN(Cc3ccncc3)CC[C@@H]21 96185601 VGTRHISWODUGQX-AABGKKOBSA-N 342.487 1.989 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)Cc2cccc(F)c2F)[C@@H]1c1cccnc1 583619577 VMUDMVAQZBUKKA-KDOFPFPSSA-N 345.349 1.991 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccnn2C)cc1 96192381 FSPMEXMTYIDPCG-UHFFFAOYSA-N 329.360 1.137 0 40 EDAB Cc1ccc(CN[C@@H]2CCc3c(ccc(=O)n3CCN(C)C)C2)o1 96189636 HGQYYHPMEOUDOR-MRXNPFEDSA-N 329.444 1.958 0 40 EDAB O=C(CC1CC1)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 96201422 WEMOCZUXONTHKB-UHFFFAOYSA-N 343.427 1.602 0 40 EDAB c1ccc(CN2CCO[C@@H]3CN(c4ncnc5[nH]ncc45)C[C@@H]32)cc1 96469746 YMVFTXKUXICNHZ-JKSUJKDBSA-N 336.399 1.443 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159764 ZQLQXLHSAUYAHX-MRXNPFEDSA-N 340.420 1.600 0 40 EDAB Cn1ccnc1CN1CC[C@H]2[C@@H](CC1)OCCN2c1cccnc1 96249438 AXGOWZOZIFZGBY-DLBZAZTESA-N 327.432 1.685 0 40 EDAB CCN1CCOC[C@]2(CC[C@H](CNc3cc(N(C)C)ncn3)O2)C1 96160697 HOKATBCSYZWENX-PBHICJAKSA-N 335.452 1.224 0 40 EDAB COCC(=O)N1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 96065122 CCEPNUFHDZHHDB-AEFFLSMTSA-N 334.416 1.642 0 40 EDAB CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2C=CCCC2)c1 96462907 KLTYOOQLNZFWFA-QGZVFWFLSA-N 344.459 1.886 0 40 EDAB COCC[C@@H]1CO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 96072061 ZUGQOXDHLBGTKW-SUMWQHHRSA-N 330.388 1.387 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)CN(Cc1ccccn1)CCO2 96158851 UAQXPOFMMMAARU-MRXNPFEDSA-N 345.443 1.312 0 40 EDAB O=C(c1cc[nH]n1)N1CCc2onc(COc3cccnc3)c2C1 96260117 XFESAPPYOUYUEQ-UHFFFAOYSA-N 325.328 1.570 0 40 EDAB CNC(=O)[C@H]1COC2(CN(Cc3cccc4ccccc34)C2)CN1C 248083425 QWNHYDKYWNLTOE-GOSISDBHSA-N 339.439 1.471 0 40 EDAB COC(=O)C[C@H](NC(C)=O)C(=O)Nc1cccc2c1OC(C)(C)CC2 585124106 SLAWGLRSWBCFTH-AWEZNQCLSA-N 348.399 1.797 0 40 EDAB COC(=O)c1nnn(-c2ccccc2)c1NC(=O)COCC1CC1 585125047 FDXGEKZROACSKQ-UHFFFAOYSA-N 330.344 1.419 0 40 EDAB CC(C)OCC(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1 585126433 YZMYLBACZXFLDR-HSZRJFAPSA-N 341.433 1.765 0 40 EDAB CS(=O)(=O)NC[C@@H]1CN(CC2CCCCC2)Cc2cncn21 247493699 CJGCYZMOADSPGC-OAHLLOKOSA-N 326.466 1.369 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)CCc2cccnc2)CCO1 257271017 MWMQNTXSNGSDKC-AWEZNQCLSA-N 327.388 1.446 0 40 EDAB O=C(NCc1ccco1)N[C@H]1CCN(C(=O)Cc2ccccc2)C1 252490195 KLRKAOMACDNUTA-HNNXBMFYSA-N 327.384 1.922 0 40 EDAB COc1cccc(CN2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)c1 257269194 MOYPPCMQBGBTCD-ZDUSSCGKSA-N 335.429 1.811 0 40 EDAB Cc1noc(C)c1C(=O)N1CCO[C@H](c2nccnc2N(C)C)C1 257262277 LKUCRCXINADTFB-LBPRGKRZSA-N 331.376 1.361 0 40 EDAB COCCN1CC[C@H](Cc2cncc(-c3cncc(C(=O)O)c3)n2)C1 257241939 IAHJJCSMDNQUCK-CYBMUJFWSA-N 342.399 1.748 0 40 EDAB CO[C@@H]1CCC[C@@H](NC(=O)c2cccc(Br)c2O)[C@H]1O 257199866 ABBQRRXSWWUWTI-NQBHXWOUSA-N 344.205 1.813 0 40 EDAB C[C@]1(C(N)=O)CN(Cc2ccc(-c3ccccc3C(=O)O)o2)CCO1 257249946 JKJCYTLBGWUAPX-GOSISDBHSA-N 344.367 1.721 0 40 EDAB CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)CCO1 283614048 ZFWNUJOAMCEKPE-RISCZKNCSA-N 332.404 1.965 0 40 EDAB C[C@H](c1ccccn1)N1CCN(CC(=O)Nc2cccnn2)CC1 1615002459 FBBZJPVOOOCXSM-CQSZACIVSA-N 326.404 1.189 0 40 EDAB COCCC1(C)CN(C(=O)COc2nn(C)c3nc(C)cc(C)c23)C1 1615580388 AEOQLYWEIYQALG-UHFFFAOYSA-N 346.431 1.849 0 40 EDAB CN(C)C(=O)O[C@@H]1CCN(C(=O)c2sncc2Br)C1 1615606220 VBXXNTAPGZEWQO-SSDOTTSWSA-N 348.222 1.818 0 40 EDAB COCCn1cc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)ccc1=O 607686295 ZEIHBHWMNJKSMM-UHFFFAOYSA-N 341.367 1.632 0 40 EDAB O=C1CCc2cc(S(=O)(=O)NCCc3ccoc3)cc3c2N1CC3 96119252 JVYPJCFCXMFJON-UHFFFAOYSA-N 346.408 1.636 0 40 EDAB COC(=O)[C@@H]1[C@@H]2[C@H](Br)C(=O)N(C(=O)OC(C)(C)C)[C@H]21 390769693 IDBRBQSVIDEUTJ-OOJXKGFFSA-N 334.166 1.315 0 40 EDAB O=C1CCCCN1C[C@@H]1CCC2(CN(C(=O)[C@H]3CCOC3)C2)OC1 575404480 MXODOJKRVJSEJC-GJZGRUSLSA-N 336.432 1.043 0 40 EDAB Cc1noc(C)c1CN1C[C@@]2(CCCN(Cc3cncn3C)C2)C1=O 585099316 CPFCQBOGOMWVDN-SFHVURJKSA-N 343.431 1.650 0 40 EDAB CC(C)COCCc1cnc2n1CCN(C(=O)C1CC(O)C1)[C@@H]2C 585096866 BSENSPOIJIUTTF-VQCLRJIVSA-N 335.448 1.772 0 40 EDAB Cc1ccc(CC(=O)N2C[C@H]3ON=C(C(=O)NC4CC4)[C@H]3C2)cc1 585109086 SVTHZOCETLXMTA-LSDHHAIUSA-N 327.384 1.029 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)CCn3ccnc3C)C2)c1 585277444 UPPJTRAXKHYKCI-LJQANCHMSA-N 343.427 1.932 0 40 EDAB O=S1(=O)CC[C@H](COc2ncccn2)C12CN(CC1CCC1)C2 585104276 XUHUEXJLQIQMFM-CQSZACIVSA-N 337.445 1.145 0 40 EDAB COc1cccc(-n2cc(NC(=O)[C@H](C)OC[C@H]3CCCO3)nn2)c1 585140846 LQMAFAMCLBQDEH-SWLSCSKDSA-N 346.387 1.799 0 40 EDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)/C=C/c2csc(C)n2)C1 585289797 KCFNLSIEIVDMGR-APHBUQMISA-N 337.445 1.344 0 40 EDAB O=C(C1CC(O)C1)N1Cc2cncn2CC[C@@H]1COc1ccccc1 585097044 GWFHPNOKLJIVGA-ISXOHVOVSA-N 341.411 1.834 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21 585111507 CIONHRWVUSLBRA-CQSZACIVSA-N 340.474 1.441 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)CCc1nc(-c2cccnc2)no1 48262841 NSHDHUQKTSUVTC-ZDUSSCGKSA-N 330.388 1.949 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)[C@H](OCC(F)(F)F)c2ccccc2)C1 56412847 IYBNVOUTVWFEGG-NWDGAFQWSA-N 330.306 1.640 0 40 EDAB COCCNC(=O)NC1(c2nc(-c3cnccn3)no2)CCCCC1 75164206 YVCIAFJXNIPDLB-UHFFFAOYSA-N 346.391 1.632 0 40 EDAB CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1 78880859 XSVNBJUDIJKDHU-CHWSQXEVSA-N 341.433 1.119 0 40 EDAB COCCN1CCC[C@@H](NC(=O)NCc2nc(C)c(C)s2)C1 96440586 ASLBXKXLSGCMRQ-CYBMUJFWSA-N 326.466 1.670 0 40 EDAB COc1ccc(OS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 40494353 GUIBPCHTFBSYKO-UHFFFAOYSA-N 342.394 1.866 0 40 EDAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccncc1Br 95418504 PENXRHMWHBPOQO-DTWKUNHWSA-N 347.234 1.492 0 40 EDAB Cn1ncc2c(NC[C@H](c3ccsc3)N3CCOCC3)ncnc21 1775972489 ICYJECHNLYIWJC-CQSZACIVSA-N 344.444 1.910 0 40 EDAB Cc1ccc(C)c(NC(=O)CSc2nc3[nH][nH]cc-3c(=O)n2)c1 13116786 OOYDYMMANULROT-UHFFFAOYSA-N 329.385 1.945 0 40 EDAB COc1ccc(CCNS(=O)(=O)c2cccc3nonc23)cc1 13938239 NLOHNOHSRXUBMA-UHFFFAOYSA-N 333.369 1.752 0 40 EDAB COCCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19593129 VUCQGTULJRHANY-SDDRHHMPSA-N 343.378 1.544 0 40 EDAB CCc1ccccc1S(=O)(=O)N1CCC(CO)(NC(C)C)CC1 585115185 PWUAKMHLOUFWSU-UHFFFAOYSA-N 340.489 1.763 0 40 EDAB Cn1ncc2c(NCc3cccc(NS(C)(=O)=O)c3)ncnc21 11607646 MSURKSTZTKVPBG-UHFFFAOYSA-N 332.389 1.347 0 40 EDAB Cc1cc(C)c(CNC(=O)Cn2cnc3sccc3c2=O)c(=O)[nH]1 10457952 XCMDJNIYQIHNDP-UHFFFAOYSA-N 344.396 1.080 0 40 EDAB O=C1[C@@H]2CN(c3ccnc(C4CC4)n3)C[C@H]2C(=O)N1c1ccccc1 1888854140 YTAMYBRVMJRHSP-HUUCEWRRSA-N 334.379 1.980 0 40 EDAB O=C(CN1C[C@@H]2CCC[C@@]2(CO)C1)N1CCN(c2ccccc2)CC1 1888864394 DMVXSLRLHIYMLX-PXNSSMCTSA-N 343.471 1.430 0 40 EDAB O=S(=O)(C1CCCCC1)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 1259810619 CGEFNUMUYAYYFP-KBPBESRZSA-N 336.461 1.507 0 40 EDAB OCCN1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 22030151 SANUBOPPIDSKJG-HKUYNNGSSA-N 334.460 1.051 0 40 EDAB C[C@@H]1CN(c2ncnc3n[nH]cc23)CCN1Cc1ccncc1F 2087022421 BWTBZILTRVHWAZ-LLVKDONJSA-N 327.367 1.598 0 40 EDAB Cc1ccc(C2=NN(C(=O)CNCCO)[C@@H](c3ccco3)C2)cc1 4247971 REQPAAYTOPOCGS-MRXNPFEDSA-N 327.384 1.848 0 40 EDAB Cc1cc(C)c(-c2ccc(=O)n(CC(=O)N3CCOCC3)n2)cc1C 5410396 VRRPHOFYDZAYMV-UHFFFAOYSA-N 341.411 1.694 0 40 EDAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccco3)n2)cc1 9660851 AQKJLMAISWSTQQ-UHFFFAOYSA-N 339.351 1.942 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2O1 2055716057 UYRISYDNQMVGTO-UAGQMJEPSA-N 343.427 1.456 0 40 EDAB Cc1cnc(C(=O)NCCn2nc(-c3ccco3)ccc2=O)cn1 38489020 BBSZRKHBVPPJDU-UHFFFAOYSA-N 325.328 1.032 0 40 EDAB CN1c2ccc(F)cc2N(CCNC(=O)c2ccco2)S1(=O)=O 575612414 MJOUCVHPBSFENQ-UHFFFAOYSA-N 339.348 1.350 0 40 EDAB Cc1cccnc1OCC1CCN(c2cc(=O)n(C)c(O)n2)CC1 585527065 PFKVUJWDRYIFRN-UHFFFAOYSA-N 330.388 1.485 0 40 EDAB Cc1ccn(-c2ccc(N3CCN([C@@H]4CCCC[C@H]4O)CC3)nn2)n1 2298178395 BLPBDCVTRUJEGJ-HZPDHXFCSA-N 342.447 1.396 0 40 EDAB COC(=O)[C@@H](C)Sc1ncnc2c1nnn2-c1ccc(OC)cc1 4166794 XJLSJRIKWAMWMO-SECBINFHSA-N 345.384 1.873 0 40 EDAB CCn1cnn(CN2CCN(Cc3csc(C)n3)CC2)c1=S 30003230 JJXRDSPKQZCJMX-UHFFFAOYSA-N 338.506 1.974 0 40 EDAB O=C(NOCc1ccccc1)N[C@H]1CCCN(c2ncccn2)C1 50096819 GFICASLIUCIWMG-HNNXBMFYSA-N 327.388 1.876 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 40505379 RMGJVXDPWMAQNZ-CQSZACIVSA-N 342.399 1.883 0 40 EDAB CC(C)[C@H](CNC(=O)c1cc(-c2cccnc2)on1)N1CCOCC1 40548487 ZQCLIHKMTUHSTE-INIZCTEOSA-N 344.415 1.823 0 40 EDAB Cc1ccc(CNC(=O)[C@H](C)S(=O)(=O)Cc2cc(C)on2)cc1 40528908 KUGRDTYAZRDCCA-ZDUSSCGKSA-N 336.413 1.911 0 40 EDAB O=C(NCc1ccccn1)c1c(-n2cnnn2)sc2c1CCCC2 31817668 SMZCSQZDRLWROF-UHFFFAOYSA-N 340.412 1.928 0 40 EDAB CCc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cnn1-c1ccc(O)nn1 32034134 DYKLPUOZBKHAQO-PHIMTYICSA-N 331.376 1.180 0 40 EDAB O=C(Nc1ccccc1I)[C@H]1COCCO1 32644638 XNMKDWFKLKTDAP-SNVBAGLBSA-N 333.125 1.645 0 40 EDAB CSc1nc2n(n1)[C@@H](c1ccc3c(c1)OCO3)C=C(C(=O)O)N2 101611222 JMITZQOWHUZLPU-SECBINFHSA-N 332.341 1.712 0 40 EDAB COc1ccc(CN(C)C(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 32674076 TUTSZIPDZMCVNK-AWEZNQCLSA-N 326.418 1.078 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC3)cc2)C[C@@H](C)O1 32736059 UBUKLLDXPHSTIA-BETUJISGSA-N 338.429 1.330 0 40 EDAB CC(C)N(C)C(=O)CC1CCN(c2ncnc3c2cnn3C)CC1 52302042 FWTMLTPHDLTJHJ-UHFFFAOYSA-N 330.436 1.837 0 40 EDAB Cn1ncc2c(N3CCC[C@H](C(=O)Nc4nncs4)C3)ncnc21 52472179 PHKINOZFLCBJQY-VIFPVBQESA-N 344.404 1.070 0 40 EDAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)C1=COCCO1 32964110 YUHHCDDSWOGUQQ-UHFFFAOYSA-N 334.372 1.761 0 40 EDAB CC[C@@H]1CCCCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O 52858084 QYEJYNCUOKNXDS-CYBMUJFWSA-N 333.436 1.088 0 40 EDAB CN1C(=O)N(C)[C@@]2(c3ccccc3)NC(=O)NN[C@@]12c1ccccc1 507114 BZMQSOMCHOSZCM-MSOLQXFVSA-N 337.383 1.507 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1nc2ccccn2c1=O 47002738 WTLVIZIRZRAISF-UONOGXRCSA-N 332.404 1.208 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)Nc3nc[nH]n3)CC2=O)cc1Cl 12390804 INIOWSZGGYRYHZ-QMMMGPOBSA-N 335.751 1.458 0 40 EDAB CCCc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)Nc3cc(C)on3)CCO2)n1 78893300 OMXUHYYVMRQBEQ-RYUDHWBXSA-N 348.407 1.454 0 40 EDAB CC1(C)N=C(N)N=C(N)N1c1cccc(C(=O)Nc2cccnc2)c1 1716762 PZRFTCRIFSOMON-UHFFFAOYSA-N 337.387 1.519 0 40 EDAB CCOC(=O)c1csc(NC(=O)c2ccccc2-n2cnnn2)n1 79486099 IWMFSXHKSNSMJR-UHFFFAOYSA-N 344.356 1.548 0 40 EDAB O=C(Cn1cnnn1)NCCSCc1cccc2ccccc12 53411225 NPXYCVRPNMNICD-UHFFFAOYSA-N 327.413 1.876 0 40 EDAB COC(=O)c1ccc(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1 7738699 KDQMAFVRLCRDKG-UHFFFAOYSA-N 327.296 1.863 0 40 EDAB Cn1nc(CC(=O)OCC(=O)c2ccccc2)c2ccccc2c1=O 8394442 SWTJILJWLAQUHR-UHFFFAOYSA-N 336.347 1.902 0 40 EDAB O=C(NCCNc1cnccn1)NC[C@@H](c1ccco1)N1CCCC1 43168138 IDHCTYJORJNRCG-AWEZNQCLSA-N 344.419 1.618 0 40 EDAB CNC(=O)C1(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)CC1 106015794 KHXBUNCWEQYQKE-UHFFFAOYSA-N 338.354 1.861 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc(C)nc2c1c(C)nn2C 24728546 WVXMMQVGYCKSSP-ZDUSSCGKSA-N 332.404 1.903 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccnc1-n1cccn1 25010630 WYRBHJWFUOKVQX-UHFFFAOYSA-N 346.350 1.616 0 40 EDAB Cc1cc(C(=O)N2CCC(N3CCNC3=O)CC2)nn1C(C)(C)C 55786770 PBZROFXPOKRGGA-UHFFFAOYSA-N 333.436 1.576 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)COc1ccc2c(c1)CCC(=O)N2 25467193 CMBAFTHCWYRQGE-UHFFFAOYSA-N 328.372 1.939 0 40 EDAB CCc1cc(=O)n2nc(N3CCCC[C@H]3[C@@H]3CNC(=O)C3)sc2n1 108147520 SVUIFPCLYCSNRS-JQWIXIFHSA-N 347.444 1.208 0 40 EDAB Cc1nc(CCC(=O)N2CCC[C@]3(C2)C(=O)Nc2ccccc23)n[nH]1 72167664 CCZIWKNNONGJRH-GOSISDBHSA-N 339.399 1.558 0 40 EDAB Cc1cc(F)cc2c(=O)c(C(=O)N3CCNC(=O)[C@@H]3C(C)C)c[nH]c12 84086328 KAEUKXHRURBPHA-HNNXBMFYSA-N 345.374 1.572 0 40 EDAB Cc1cncc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)c1 108529212 QGDJTLGQVXKDQY-UHFFFAOYSA-N 337.445 1.324 0 40 EDAB CCc1ccc(CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 44894576 QQSNVYVXGIRZQG-UHFFFAOYSA-N 329.400 1.382 0 40 EDAB CC(C)n1nccc1NC(=O)CN1CCN(c2ccccc2O)CC1 44875185 FEKAYMALZKXYJW-UHFFFAOYSA-N 343.431 1.930 0 40 EDAB O=S(=O)(CCN1CCN(c2cnccn2)CC1)c1ccccc1 27630902 KBDJVNYGWKJGOS-UHFFFAOYSA-N 332.429 1.073 0 40 EDAB CN1CCC[C@@H]1CNC(=O)c1nnn(-c2ccccc2)c1C1CC1 58268256 KHFSOYXFHAUFMF-OAHLLOKOSA-N 325.416 1.969 0 40 EDAB Cc1c([C@@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)oc2ccccc12 58210028 LSXQABVEXCRLID-LLVKDONJSA-N 327.340 1.469 0 40 EDAB C[C@@H](C(N)=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 27772530 MCPRNQRUYQACPZ-NSHDSACASA-N 331.338 1.577 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[C@H](C(F)(F)F)C1 48287227 OJGKEQQVXDAQNY-VIFPVBQESA-N 333.310 1.105 0 40 EDAB CCCCNC(=O)CN1CCN(C(=O)c2cccc(N(C)C)c2)CC1 28008245 IYOUXBUPUMMKJS-UHFFFAOYSA-N 346.475 1.427 0 40 EDAB O=C(Cc1csc(-c2ccco2)n1)NC[C@H]1CN2CCC[C@@H]2CO1 58403787 YAVDVSIWFFLMFX-KGLIPLIRSA-N 347.440 1.925 0 40 EDAB O=C(c1ccc(F)cc1)N1CCC2(CC1)C[C@H](N1CCOCC1)CO2 107192705 HCOJQWHEAACIMK-KRWDZBQOSA-N 348.418 1.922 0 40 EDAB O=C1O[C@@H]2CC[C@H]3[C@H]2[C@H]2[C@H]4[C@H]5[C@H]6[C@H]7[C@@H]8CC[C@H]7[C@H]5[C@]12[C@]6([C@@H](O)O8)[C@H]43 104294404 AZMXBLVUVMAYAD-ZHGJVVJHSA-N 326.392 1.419 0 40 EDAB C[C@H](NC(=O)N1CCCCCC1)c1cccc(S(N)(=O)=O)c1 54073658 DFFNQEYSQRSQHR-LBPRGKRZSA-N 325.434 1.981 0 40 EDAB COc1cc(C(=O)N[C@H]2CCN(C(C)=O)C2)sc1Br 95443323 BUQBKLKZYNRXPH-QMMMGPOBSA-N 347.234 1.870 0 40 EDAB COc1ccc(CNC(=O)COC(=O)c2ccc(C=O)cc2)cc1 3387046 QTLKJOQPUCUTEO-UHFFFAOYSA-N 327.336 1.981 0 40 EDAB O=C(O)[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 2571123 UPFMJOLFOIYFLW-QWRGUYRKSA-N 343.305 1.470 0 40 EDAB CCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 48325429 PIKLRAYXTWGVIY-LBPRGKRZSA-N 346.836 1.009 0 40 EDAB Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 29505083 MFVAYYMIGZYGIZ-GAAFXGMGSA-N 345.378 1.755 0 40 EDAB C[C@H](CNC(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCOCC1 46260521 SEMDIGTZEHEPCR-HUUCEWRRSA-N 349.431 1.189 0 40 EDAB COc1ccccc1CNCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 48783296 XXBWPSDOJPPLBJ-KBPBESRZSA-N 342.461 1.224 0 40 EDAB CCS(=O)(=O)c1ccc(C(=O)NCCCN(C)CCOC)cc1 63645149 BZZMTBYDPQKQDC-UHFFFAOYSA-N 342.461 1.178 0 40 EDAB CC(C)n1nnnc1Sc1ccc2nnc(C(F)(F)F)n2n1 9726413 QHKISXXAJHZSLO-UHFFFAOYSA-N 330.299 1.862 0 40 EDAB CS(=O)(=O)Nc1nc(CC(=O)Nc2cccc(O)c2)cs1 13684388 XIRFSGPLBYCBAK-UHFFFAOYSA-N 327.387 1.401 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H]1[C@@H](O)c2ccccc2S(=O)(=O)N1C 13731486 VKYVYRAODNBZQT-ZBFHGGJFSA-N 335.429 1.316 0 40 EDAB O=C(COC(=O)c1c(F)cccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1 13865626 DFAVZJUEYDUALH-UHFFFAOYSA-N 347.277 1.930 0 40 EDAB Cn1ncc2c(O)nc(CN3CCCN(c4ccccc4)CC3)nc21 65415469 UENINEWXAWBBMK-UHFFFAOYSA-N 338.415 1.781 0 40 EDAB COc1ccc(C(=O)Nc2cnc3sc(C)nn3c2=O)cc1OC 14291582 FPFMYZPJJISPDQ-UHFFFAOYSA-N 346.368 1.729 0 40 EDAB NC(=O)CSc1ccccc1C(=O)Nc1ccc(C(N)=O)cc1 15190830 SDTPTKBQGLDUOZ-UHFFFAOYSA-N 329.381 1.615 0 40 EDAB CC(C)CN1C[C@@H]2[C@H](NC(=O)c3ccco3)CCS(=O)(=O)[C@H]2C1 306141917 WJZGSAZEZLYNTM-NFAWXSAZSA-N 340.445 1.153 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cccc(OC)c2)c1 7990540 QCHUGOYXCHAVPT-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB CN1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)C1 81444859 JSRKEXRGKBCOQJ-CZUORRHYSA-N 337.851 1.756 0 40 EDAB CN1CCO[C@H](C(=O)N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)C1 81453369 LCOQMQBCHNQWNE-NSHDSACASA-N 346.353 1.465 0 40 EDAB Cc1cnn(CCNCc2nc(-c3ccc4c(c3)OCO4)no2)c1 70008336 VYRYZYZTHCSKTH-UHFFFAOYSA-N 327.344 1.760 0 40 EDAB CC(C)c1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)nn1C(C)(C)C 70039967 HNOGKLCTVFCFCN-CQSZACIVSA-N 336.480 1.900 0 40 EDAB O=C(NCCNc1nnnn1-c1ccccc1)[C@H]1C[C@H]1c1ccccc1 71796036 IVKSEKOWDUZSMU-IRXDYDNUSA-N 348.410 1.994 0 40 EDAB Cc1cc(C(=O)CN2CCC[C@@H](CNS(C)(=O)=O)C2)c(C)[nH]1 69417170 WIPWQIONUJEJRB-ZDUSSCGKSA-N 327.450 1.075 0 40 EDAB Cc1cnn(CC(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)c1 69421167 SBIWHYOVMSZBJP-MRXNPFEDSA-N 326.400 1.198 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)N2CCc3cnc(C)nc3C2)cc1 69443574 ZAQQYXOSJGVJOC-ZDUSSCGKSA-N 340.427 1.857 0 40 EDAB Cc1cc(N2CCC(NC(=O)Nc3cc(C)nn3C)CC2)nc(C)n1 96455245 LFMUEXFRRXXJLI-UHFFFAOYSA-N 343.435 1.926 0 40 EDAB COc1cccc(NC(=O)CSc2nnnn2C2CCOCC2)c1 69571718 JBUNQWRVHMPCSM-UHFFFAOYSA-N 349.416 1.764 0 40 EDAB COc1ccc(CCN2CCN(CC(=O)N[C@H](C)C3CC3)CC2)cc1 69533605 OPROGYDMLHRCCX-MRXNPFEDSA-N 345.487 1.770 0 40 EDAB Cc1cnn(CCC(=O)N2CCCN(c3ccc(C)nn3)CC2)c1 69564453 XFCOJRKKNZODMR-UHFFFAOYSA-N 328.420 1.419 0 40 EDAB CCNC(=O)Cc1ccc(NC(=O)N[C@H](C)c2nc(C)no2)cc1 69567846 LOEMWNBKSVPXBM-SNVBAGLBSA-N 331.376 1.939 0 40 EDAB Cc1ccc(N(C)C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)nn1 69699249 WGNADIWOOIZRQE-UHFFFAOYSA-N 340.431 1.738 0 40 EDAB O=C([C@@H]1CCCc2ccccc21)N1CCN(c2ccc(=O)[nH]n2)CC1 69626093 VGWJFICFQCMPAK-MRXNPFEDSA-N 338.411 1.539 0 40 EDAB Cc1nnc([C@H](C)N2CCN(C[C@H](O)COc3ccccc3)CC2)o1 69770373 UXMNRCGTNZLEDG-HOCLYGCPSA-N 346.431 1.497 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)NC[C@@H]1CCCc2ccccc21 69742611 UGRMESHFUKWFPI-JKSUJKDBSA-N 339.443 1.419 0 40 EDAB CCOc1ccnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1 69779846 HKALCLBKFJBRIJ-INIZCTEOSA-N 328.416 1.731 0 40 EDAB CN(C)CCN(Cc1cccnc1)C(=O)c1ccc(N(C)C)nc1 71841814 VGDMWFATFSOSNG-UHFFFAOYSA-N 327.432 1.747 0 40 EDAB C[C@H](CNC(=O)c1cn2cccnc2n1)CN(C)C(=O)OC(C)(C)C 71896828 MPXQGMGZBWAYJF-GFCCVEGCSA-N 347.419 1.962 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)C[C@@H]1CCCN1c1cccnn1 71860072 FBFPSOXFQZPPEO-AWEZNQCLSA-N 327.436 1.583 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)NCC2CCCCC2)C[C@@H]1C 69952154 DQEUGBCVAZNVFZ-HOTGVXAUSA-N 325.497 1.724 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cnn(-c2ccccc2)c1 71832845 NNXARJBIKQSHKG-QWHCGFSZSA-N 348.428 1.147 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)CCCn1ccnc1C)C2 71860280 PBGQXGNSXVZHLR-UHFFFAOYSA-N 328.420 1.778 0 40 EDAB CCCOc1ccc(O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 97053668 AKCRZBJOPJCTPF-CQSZACIVSA-N 334.416 1.933 0 40 EDAB CCc1c(C(=O)NC[C@H](C)CN2CCN(C)CC2)[nH]c(C)c1C(C)=O 97002019 LPXWKUZUMRKJDH-ZDUSSCGKSA-N 348.491 1.701 0 40 EDAB COCCOc1cccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 72269535 XEYGCZKBVLNERA-ZWKOTPCHSA-N 348.443 1.383 0 40 EDAB CN1CCC[C@]2(CN(Cc3cccnc3)C[C@H]2c2ccnn2C)C1=O 306142137 WQWGGPURHGCXKH-QFBILLFUSA-N 339.443 1.653 0 40 EDAB C[C@H](C(=O)N1CCc2ccccc21)N1CCc2nn(C)c(=O)cc2C1 72302292 YIWFVRIWSVZHJA-CYBMUJFWSA-N 338.411 1.116 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2N[C@@H]1CCCN(c2cnn(C)c2)C1=O 88559945 LGRFMFDNYPRNAL-ZIAGYGMSSA-N 343.435 1.194 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(c3ncnc4ccsc34)CCO2)n1 75128632 BFKZSCVVVBOCBY-LBPRGKRZSA-N 330.417 1.805 0 40 EDAB O=C(NCCCn1ccnc1)N[C@@H]1CCN(c2ncccc2F)C1 89773222 PDHNHYNUEUNXGY-CYBMUJFWSA-N 332.383 1.385 0 40 EDAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCOC[C@@H]1CCO 89773079 LBHFUWBMNRFYJI-VIFPVBQESA-N 340.228 1.765 0 40 EDAB C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1N(C)C 76055976 GLKKBMUUKCKSFN-IINYFYTJSA-N 344.864 1.766 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@H]1N1CCOCC1 76053233 CYSQCAYWCAWIIY-GOEBONIOSA-N 344.415 1.317 0 40 EDAB Cc1cc(N2CC[C@@H](Sc3nnnn3C3CCCC3)C2=O)n(C)n1 172913389 JATNABNYZZLXJJ-GFCCVEGCSA-N 347.448 1.728 0 40 EDAB O=C(CSCc1ccc(F)cc1)NCCCN1CCOCC1 20040800 WNLUIXACDXXZGE-UHFFFAOYSA-N 326.437 1.897 0 40 EDAB CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007530 IKNQZPFSDFPZHX-OAHLLOKOSA-N 336.388 1.461 0 40 EDAB C[C@@H]1COCCN1C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 76146996 BGFUQJMUXMYLNA-LLVKDONJSA-N 331.821 1.751 0 40 EDAB COCCn1c(C(=O)NCc2ccccc2)nc2ccccc2c1=O 32095537 URVIXUBILRQPJY-UHFFFAOYSA-N 337.379 1.973 0 40 EDAB COc1ccccc1NC(=O)N1CCCN(S(C)(=O)=O)CC1 24989459 WOFDSDRFWOLXRV-UHFFFAOYSA-N 327.406 1.194 0 40 EDAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[C@H]1CCS(=O)(=O)C1 37127607 OMFLSHIAZGGMLM-YFKPBYRVSA-N 343.273 1.228 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCOC 217524364 JLIDCDBJEPLWNJ-NSHDSACASA-N 344.433 1.910 0 40 EDAB CC(=O)N1CCN(Cc2cccc(NCc3ccnn3C)c2)CC1 189511214 UQXBVEILRMCADP-UHFFFAOYSA-N 327.432 1.696 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)CC1 79492153 XQSBXGOCBKUQHO-MRXNPFEDSA-N 345.447 1.001 0 40 EDAB CCOC(=O)CCC(=O)N1CC(c2nc(Cc3ccccc3)no2)C1 75156403 WSCKGQWDZGIAAR-UHFFFAOYSA-N 343.383 1.930 0 40 EDAB CCCNC(=O)[C@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1 223489284 GUAYYQVUCUCFPE-AWEZNQCLSA-N 328.434 1.766 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NCCSc1nc(C)n[nH]1 223022985 JNMWFOQFSVLNLL-UHFFFAOYSA-N 346.409 1.331 0 40 EDAB COc1ccccc1C1=NO[C@](C)(C(=O)NC2CCN(C)CC2)C1 226753645 RQCJLBRGOOPHDE-SFHVURJKSA-N 331.416 1.789 0 40 EDAB COc1ccc(CNC(=S)Nc2nc(OC)cc(OC)n2)cc1 225929865 RIUVGEYOGQAQPE-UHFFFAOYSA-N 334.401 1.989 0 40 EDAB O=C1CNc2ncnc(N3CCN(Cc4ccccc4F)CC3)c2N1 41121419 KERQIEVMLHLEKB-UHFFFAOYSA-N 342.378 1.302 0 40 EDAB O=C(NCc1nnc(C2CC2)n1C1CC1)c1cnn2c1OCCC2 577397828 KVOXILDPIXDDHH-UHFFFAOYSA-N 328.376 1.399 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H]3CCc4ccccc4NC3=O)CCO2)n1 192045591 MFJAYLHATUGQPJ-CABCVRRESA-N 327.388 1.440 0 40 EDAB Cn1c2c(ccc1=O)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)CC2 96092484 YRRQUBPXZTVFNZ-ZDUSSCGKSA-N 336.388 1.360 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CCn1nccc1-c1ccncc1 96428886 CPTFOUBJUDYXTL-UHFFFAOYSA-N 325.372 1.810 0 40 EDAB C[C@@H](CCc1cccn1C)NC(=O)NC[C@@H]1CCS(=O)(=O)C1 96437702 JPEATWXNBPUUDD-STQMWFEESA-N 327.450 1.080 0 40 EDAB O=C(CN1C(=O)c2ccccc2Oc2ncccc21)N1CCOCC1 96118909 RUXPHFZRIYTBLF-UHFFFAOYSA-N 339.351 1.693 0 40 EDAB OCCN1CCC2(CC1)C[C@H](N[C@@H]1CCOC1)c1ccccc1O2 96079871 HVGRBADOXRMHRW-WBVHZDCISA-N 332.444 1.716 0 40 EDAB O=C(c1cscn1)N1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1 96217721 SVBURQFHMXORFA-BZNIZROVSA-N 346.412 1.735 0 40 EDAB CC(C)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96182721 XALDBZGXBCXYMQ-QRVBRYPASA-N 342.487 1.891 0 40 EDAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1ccccc1)C2 96230535 DHQJASZGVXDVEK-IBGZPJMESA-N 339.443 1.343 0 40 EDAB O=C(N1CCCC1)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048422 OXYJGIMTJFHRCX-RHSMWYFYSA-N 331.420 1.728 0 40 EDAB COc1ccc([C@@H](C)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1F 90797567 QHXFYQGIPNMMHU-VXGBXAGGSA-N 330.425 1.766 0 40 EDAB CN(C)[C@@H]1COC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 96158640 SWAOCFNOKSDDLT-AWEZNQCLSA-N 342.436 1.700 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)c2ccc(Cl)s2)n1 96420423 RWTJKGNHIKFOPH-UHFFFAOYSA-N 333.822 1.895 0 40 EDAB CC[C@H]1CCCC[C@@H]1CN1CCN(CC(=O)NCCOC)CC1 583650798 BJDQBFNEXNARJD-DLBZAZTESA-N 325.497 1.583 0 40 EDAB O=C1COC2(CCN(Cc3cccnc3)CC2)CN1c1cncnc1 96159147 RPQPPAATCMVHOX-UHFFFAOYSA-N 339.399 1.270 0 40 EDAB CCNC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 96414353 KFRIBJFNXCAFDU-LBPRGKRZSA-N 345.378 1.395 0 40 EDAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1ccco1)C2 96056946 URLQMFVWMVMKQN-SJLPKXTDSA-N 336.432 1.756 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2cccs2)Cc2nccn2C1 96187868 RLLJZSSDVXJQJU-AWEZNQCLSA-N 348.472 1.681 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCCC[C@H]1CN1CCOCC1 96428689 SKVKCUHDKOJGQD-KRWDZBQOSA-N 338.473 1.703 0 40 EDAB CN(C)C(=O)N1CCN(Cc2cccs2)C[C@]2(CNC(=O)C2)C1 96035965 XSXMAAUMCHUTNT-INIZCTEOSA-N 336.461 1.054 0 40 EDAB C[C@@H](CCn1cncn1)NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 96485905 SSMJNXTVFZJLTG-RYUDHWBXSA-N 348.373 1.335 0 40 EDAB C[C@H](NC(=O)COC[C@@H]1CCCO1)c1ccc(N2CCNC2=O)cc1 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336.457 1.548 0 40 EDAB CC1CCN(CCNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1 71911642 RBFRDXURPAHPPE-AEFFLSMTSA-N 344.459 1.449 0 40 EDAB O=C(CS[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](c2ccccc2)C1 71844381 SWWHYDPEENJWBL-CABCVRRESA-N 339.482 1.923 0 40 EDAB O=C1NC(=O)[C@]2(CCCN(c3cc(C4CC4)nc(C4CC4)n3)C2)N1 893576710 SQRNMMTWROBWSW-QGZVFWFLSA-N 327.388 1.410 0 40 EDAB CN1CCC(C(=O)NC[C@H]2CCN(c3ncc(Cl)cn3)C2)CC1 1061620289 WPRRDRQMWUNNIP-GFCCVEGCSA-N 337.855 1.414 0 40 EDAB O=C(NC[C@H]1CCCN1c1cccc(F)n1)c1cnc2n1CCOC2 1061477709 MBYCBEJHEZYRMP-GFCCVEGCSA-N 345.378 1.346 0 40 EDAB C[C@H]1C[C@H](C)CN(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)C1 44534451 VYVPYPQHXIERLY-GJZGRUSLSA-N 338.496 1.474 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)NCCc2cccc(F)c2)C1 45132483 NFXPFTCAKURIPD-AWEZNQCLSA-N 343.424 1.091 0 40 EDAB COC(=O)C[C@@H]1CCCCN1CC(=O)NC(=O)Nc1ccccc1 54395037 GZDBQHVGXCVEPQ-AWEZNQCLSA-N 333.388 1.752 0 40 EDAB NC(=O)[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1 54550699 CKRMBAITTGUNPR-GFCCVEGCSA-N 326.278 1.245 0 40 EDAB CN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cn[nH]c1 53644631 ROWMOOIQEAVRGL-UHFFFAOYSA-N 348.306 1.086 0 40 EDAB O=C1CC[C@@H](NC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)CN1 72280427 VFTDNYKYKSFXQU-SSDOTTSWSA-N 338.751 1.071 0 40 EDAB COc1ccc(OC)c([C@@H](O)CN2CCCC[C@@H]2Cn2cncn2)c1 72253345 JOXUXRLRISYRPP-PBHICJAKSA-N 346.431 1.883 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CNC[C@@H]2CCc3nncn3C2)c1C 72252922 MIRCRGDEHPQBLK-DLBZAZTESA-N 344.459 1.795 0 40 EDAB CC(C)NC(=O)CN1CCCN(CC(=O)NC(C)C)c2ccccc21 72289505 HBBASEKDBGWVPS-UHFFFAOYSA-N 346.475 1.752 0 40 EDAB CCSCCC(=O)NC1CCN(c2ncnc3[nH]cnc23)CC1 84812049 SUXVNOWDCDQSKL-UHFFFAOYSA-N 334.449 1.581 0 40 EDAB CC(=O)NCCCNC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 97142505 GDZQASSJSJZTRP-ZDUSSCGKSA-N 338.477 1.663 0 40 EDAB Cn1nccc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)NC1 97374314 COVCAYDRZHFLNY-RKDXNWHRSA-N 345.403 -0.238 0 40 EDAB C[C@@H]1NCC[C@H]1C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 514601190 FBVTWVSSQLGXFL-UAGQMJEPSA-N 325.412 1.704 0 40 EDAB CN1CC[C@@H](N(C)Cc2ccc(I)cc2)C1=O 75752608 ATFKRPJKFTVHAB-GFCCVEGCSA-N 344.196 1.954 0 40 EDAB c1ccc(CN2CCO[C@H]3CN(Cc4nnnn4C4CC4)C[C@@H]32)cc1 89835008 GTKCXLVIBXQIHS-IRXDYDNUSA-N 340.431 1.093 0 40 EDAB O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1NCc1ccc(F)cc1 1549160102 ANWBAWMLWBXHOQ-GVDBMIGSSA-N 332.379 1.213 0 40 EDAB COc1cc(OC)c(NC(=O)C2=NN(C)C(=O)CC2)cc1Cl 11604324 GMYVDVDEGCVIKG-UHFFFAOYSA-N 325.752 1.904 0 40 EDAB CC[C@@H](Cn1nc2c(C)cc3ccccc3n2c1=O)NC(=O)COC 12146485 CLPXUUSXFWBCED-AWEZNQCLSA-N 342.399 1.499 0 40 EDAB C[C@H](NC(=O)COc1ccc2nncn2n1)c1ccc2c(c1)CCC2 12194824 IUINXPNNDLBZIZ-LBPRGKRZSA-N 337.383 1.869 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)NCCc2ccc(F)cc2)CC1 12766965 INWLHBJDHGNOIA-UHFFFAOYSA-N 328.409 1.156 0 40 EDAB CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 16610199 IEPPBUWYKXFIDJ-JTQLQIEISA-N 348.852 1.884 0 40 EDAB CCNC(=O)CN(C)S(=O)(=O)c1ccc(OCC)c(Cl)c1 16681666 OUICNBNLCWFSMZ-UHFFFAOYSA-N 334.825 1.495 0 40 EDAB CN(C)c1cc(CNC(=O)c2cccnc2)nc(-c2ccncc2)n1 19584654 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EDAB Nc1ccccc1OC[C@@H](O)CN1CCN(Cc2ccccc2)CC1 19367906 KWFOYOLMGGNILT-SFHVURJKSA-N 341.455 1.826 0 40 EDAB COc1cc(C)ccc1CN1CCO[C@@]2(COCC(=O)N(C)C2)C1 2037983795 GIMKIHZPVHSSGL-GOSISDBHSA-N 334.416 1.063 0 40 EDAB O=C(NC1CCCCC1)[C@H]1C[C@@]2(CO1)CN(Cc1cnc[nH]1)CCO2 2056225950 GBCJEUNZAQWSQT-AEFFLSMTSA-N 348.447 1.219 0 40 EDAB C[C@]1(C(=O)N2C[C@H]3ON=C(C(=O)NC4CCC4)[C@H]3C2)CC=CCC1 1565544593 NQUUGAJFXXVBCK-IYOUNJFTSA-N 331.416 1.615 0 40 EDAB CCOc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)cc1OCC 4368686 WRZHWCONINMEQM-HNNXBMFYSA-N 343.387 1.503 0 40 EDAB O=C1C[C@@H](NS(=O)(=O)c2ccccc2)CN1c1cccc(F)c1 5222141 OHKGCDBAVATBTN-CYBMUJFWSA-N 334.372 1.910 0 40 EDAB CNC(=O)Cn1nc(C)c2cnn(-c3cccc(Cl)c3)c2c1=O 12228179 YWFSXDIQBNXKLI-UHFFFAOYSA-N 331.763 1.290 0 40 EDAB Cc1cc(CN2CCC(C(=O)N3CCC3)(n3cccn3)CC2)no1 2055772659 KJOQMBNDRHFCNN-UHFFFAOYSA-N 329.404 1.403 0 40 EDAB Cc1cc2ncc3c(n2n1)CCN(C(=O)c1ccc2c(c1)OCO2)C3 208034688 XJVVICDAYHCVIG-UHFFFAOYSA-N 336.351 1.965 0 40 EDAB 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EDAB CCOC(=O)N[C@@H]1CCCN(Cn2ncc3ccccc3c2=O)C1 54518279 HVSOCVAYUDAYMI-CQSZACIVSA-N 330.388 1.565 0 40 EDAB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccnc1 101217057 OZEKMLJYTCPRAI-ZXFNITATSA-N 349.383 1.248 0 40 EDAB NC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 54703883 PLPRZBDPPKOEQQ-CZUORRHYSA-N 329.400 1.120 0 40 EDAB C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(N)=O 55214515 MBFNVFAAUODOHK-BYPYZUCNSA-N 331.608 1.799 0 40 EDAB COc1cc(C2=N/C(=C\c3cnn(C)c3)C(=O)O2)cc(OC)c1OC 12622751 UXIRCLIPRHPYMK-XGICHPGQSA-N 343.339 1.790 0 40 EDAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(-n2cnnn2)cc1 25173519 ZVYNIGJFHDKFIF-AWEZNQCLSA-N 337.339 1.232 0 40 EDAB CC(=O)N[C@@H](C)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 25162322 AFBOJWXYSXZEAA-JTQLQIEISA-N 348.428 1.596 0 40 EDAB CCOC(=O)N1CCN(CC(=O)Nc2ccc(F)c(F)c2)CC1 34800935 GNTBEAGZPGSNGE-UHFFFAOYSA-N 327.331 1.677 0 40 EDAB CCN(Cc1ccc(OC)c(F)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 48235401 RYJNNGJVCWMTCP-LBPRGKRZSA-N 344.408 1.553 0 40 EDAB CCOc1ccccc1OC1CCN(C(=O)Cn2cnnn2)CC1 56989056 LWRDGPBLXZVTKF-UHFFFAOYSA-N 331.376 1.142 0 40 EDAB O=C(Cn1cnnn1)NCC1(c2ccc3c(c2)OCO3)CCCCC1 57002466 RDJUQMFJXKYTQP-UHFFFAOYSA-N 343.387 1.420 0 40 EDAB C[C@H](C(=O)Nc1nnc(NS(C)(=O)=O)s1)c1ccccc1F 108990500 CKSPHVKCBWHQTH-ZETCQYMHSA-N 344.393 1.791 0 40 EDAB Cc1cnc(CN(C)[C@@H]2CCN(Cc3cccc(C(N)=O)c3)C2)o1 84258962 BOXJOQKQRJDXIW-MRXNPFEDSA-N 328.416 1.788 0 40 EDAB Cc1cc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nc(C(C)C)n1 27545188 LZZSPQFDTJVTHD-AWEZNQCLSA-N 331.464 1.698 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]1O2 107264517 LYZFXMQBIBWVGS-OKZBNKHCSA-N 338.411 1.382 0 40 EDAB O=c1c2sccc2ncn1C[C@@H](O)COc1ccc2c(c1)OCO2 58168729 DYSXNDFDCTXLSI-SNVBAGLBSA-N 346.364 1.627 0 40 EDAB COC(=O)c1ncn(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 58267626 VDVBSUMBOMEODG-CYBMUJFWSA-N 336.779 1.749 0 40 EDAB CCN(C(=O)c1cc2ccccc2c(OC)n1)[C@@H]1CCS(=O)(=O)C1 58292884 IMBUDZZXMNBCBF-CYBMUJFWSA-N 348.424 1.893 0 40 EDAB CCN(CC)c1ccc(CNC(=O)N2CCCN(C(C)=O)CC2)cn1 44968596 AMEMYFNVNJHQCE-UHFFFAOYSA-N 347.463 1.692 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCc2cccc(F)c2)C1 29195810 KZHHSAOGOSXXRU-CQSZACIVSA-N 328.409 1.299 0 40 EDAB Cn1ncc2c(NC[C@H](c3ccccc3)N3CCOCC3)ncnc21 29526017 UPKUKZNVVFVDRT-MRXNPFEDSA-N 338.415 1.849 0 40 EDAB COC(=O)Nc1ccc(CNC(=O)NCC(=O)N2CCCC2)cc1 48415160 PEFFAGNUNUVMDX-UHFFFAOYSA-N 334.376 1.287 0 40 EDAB CONC(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 46562975 RTMSVRYJONECPS-UHFFFAOYSA-N 328.434 1.575 0 40 EDAB COc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1OC 3579162 OEJWUIDFPDJNGK-UHFFFAOYSA-N 340.339 1.447 0 40 EDAB O=C(NCc1ccccc1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059786 XPHKOYDBQWABGJ-AWEZNQCLSA-N 336.399 1.886 0 40 EDAB CC(C)c1nnc(NC(=O)Cn2nnc3ccccc3c2=O)s1 9025585 OULULQBRDXGATP-UHFFFAOYSA-N 330.373 1.405 0 40 EDAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCC(C)C)cc1 28209396 CJQMSYRIXHYPNL-CQSZACIVSA-N 338.429 1.447 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)NC3CCC(C)CC3)nc2n1 5021361 FBTCIRONTGOLGU-UHFFFAOYSA-N 345.403 1.593 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC1 9226267 OPVBBEWMSUQXNE-JTQLQIEISA-N 346.836 1.638 0 40 EDAB COc1ccc(CCNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1OC 4392173 OSWKWDKVKVPOLP-ZDUSSCGKSA-N 341.429 1.187 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)COCc1ccccc1Cl)CC2 65463485 KVLWCMWRFVNALA-CYBMUJFWSA-N 334.807 1.888 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)N[C@@H](C)Cn2ccnc2)c1 65415386 VHLOITAZBHQSDG-SWLSCSKDSA-N 348.403 1.322 0 40 EDAB CCN(CC)c1ncc(CN2CCN(c3cnn(C)c3)C(=O)C2)s1 93530288 BEOSTHSSEKGFBY-UHFFFAOYSA-N 348.476 1.572 0 40 EDAB CN(Cn1nc(-c2cccs2)[nH]c1=S)[C@@H]1CCS(=O)(=O)C1 14138198 QAYDVQYSVLLFQN-SECBINFHSA-N 344.487 1.746 0 40 EDAB CCn1ccnc1CN1CCN(CC(=O)NCc2ccccc2)CC1 65609655 PTBOOKNGNIGODH-UHFFFAOYSA-N 341.459 1.337 0 40 EDAB COC(=O)c1cccc(CNC(=O)CSc2nnc(N)s2)c1 4694590 DNWWLMJFWJSJIO-UHFFFAOYSA-N 338.414 1.315 0 40 EDAB CC(=O)NC1(C(=O)N2CCN(Cc3cccnc3)CC2)CCCCC1 66311788 AKMOGZBFGNBMBE-UHFFFAOYSA-N 344.459 1.565 0 40 EDAB CC/C(NC1CC1)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 5817488 NLKPWTPPZMSRLK-BUHFOSPRSA-N 329.356 1.694 0 40 EDAB O=C1NCCCC[C@H]1NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 68106930 OXPXDKSMHCSCSQ-DIFFPNOSSA-N 345.424 1.400 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)OCc1nnc(-c2ccccc2)o1 7630438 CUYNQMIGTWTHCN-LLVKDONJSA-N 336.369 1.605 0 40 EDAB O=S(=O)(NCCN1CCCC1)c1ccc2c(c1)OCCCO2 7780167 DKZCCNXLKVWGAR-UHFFFAOYSA-N 326.418 1.222 0 40 EDAB CCn1nnc2cc(C(=O)Nc3cccc(-n4cnnn4)c3)ccc21 7737362 UTHNUYIXFZOHML-UHFFFAOYSA-N 334.343 1.679 0 40 EDAB CCO[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)c(C)cc2C)C1 68790835 MYTAPCDWHXQOHH-ZDUSSCGKSA-N 340.445 1.592 0 40 EDAB O=C(N[C@@H]1CCCS(=O)(=O)C1)c1cncc(Br)c1 69144832 WSIJNHVLVKATQN-SNVBAGLBSA-N 333.207 1.151 0 40 EDAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCOCC1 19832363 DOOCVTFWCTWUEC-UHFFFAOYSA-N 331.372 1.615 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CC(=O)N[C@@H](C)c3ccco3)CC2)n1 69385941 CPKRFFYLCSOWBE-QWHCGFSZSA-N 347.419 1.527 0 40 EDAB O=C(NCCc1n[nH]c(=O)[nH]1)c1c(-n2cccc2)sc2c1CCC2 95443139 QNSJCRCNTSTWGD-UHFFFAOYSA-N 343.412 1.411 0 40 EDAB Cc1cnn(CCC(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1 69420795 ZPGMKNNGKNIWHA-UHFFFAOYSA-N 330.436 1.050 0 40 EDAB CCN(CC)CCNC(=O)[C@H]1CSCN1C(=O)C1CCCC1 69443984 DJSXXUYZGCDFAF-CQSZACIVSA-N 327.494 1.536 0 40 EDAB C[C@@H]1CCCCN1CCNC(=O)c1ccc(-n2cnnn2)cc1Cl 69438471 JQYJKCPWDPFYRA-GFCCVEGCSA-N 348.838 1.920 0 40 EDAB Cn1ccnc1CN1CCN(Cc2cn(-c3ccccc3)nn2)CC1 69490287 GIDSUDLVBSBZCB-UHFFFAOYSA-N 337.431 1.319 0 40 EDAB COC(=O)[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 69568050 COOWHAKDGGGHSF-OAHLLOKOSA-N 337.339 1.306 0 40 EDAB Cc1nc(S(=O)(=O)N2CCC([C@H](O)c3ccccc3)CC2)cn1C 95432884 YNXIDRSCSMLZAX-QGZVFWFLSA-N 349.456 1.863 0 40 EDAB CN(C)c1ccc(CNCc2cnc(N3CCOCC3)nc2)cn1 71809775 XLLDRENHBAEONP-UHFFFAOYSA-N 328.420 1.064 0 40 EDAB C[C@H](O)CN1CCC(CNCc2nnc(Cc3ccccc3)o2)CC1 69877595 IFMQAHPXQYRLHN-HNNXBMFYSA-N 344.459 1.843 0 40 EDAB CCc1nc(CN2CCC[C@@H](N(C)Cc3nnnn3C3CC3)C2)no1 71882292 PXSRMGQHRTYWJN-CYBMUJFWSA-N 346.439 1.050 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)COCC(F)(F)F)CC1 69929184 IWLPBNAVIWBEQP-NSHDSACASA-N 326.359 1.117 0 40 EDAB Cn1cc(CC(=O)NCC2(C(N)=O)CCOCC2)c2ccccc21 71839322 ACAXTUCAIBJUTK-UHFFFAOYSA-N 329.400 1.119 0 40 EDAB COC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1cccc(C)c1C 8728695 ORMNHRAQWPSWBG-CHHVJCJISA-N 334.397 1.832 0 40 EDAB C[C@@H](OC[C@H]1CCCO1)C(=O)NCCc1nc2ccc(F)cc2n1C 71890929 WBWIWYKUQBTFTF-TZMCWYRMSA-N 349.406 1.955 0 40 EDAB CN(C)[C@H](C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 71826933 QXIUQHHIYVSANR-KRWDZBQOSA-N 325.416 1.428 0 40 EDAB Cc1[nH]c2ccccc2c1CC(=O)N1CCCN(CC(N)=O)CC1 71829321 HMQMFYVYLRSUEG-UHFFFAOYSA-N 328.416 1.038 0 40 EDAB O=C(NCCCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 71893218 MBAWCWWFAYVREO-MRXNPFEDSA-N 345.443 1.268 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 71869721 FDMRSNYGYODBOC-DOTOQJQBSA-N 344.459 1.974 0 40 EDAB CCOC(=O)[C@H]1C[C@H]1c1nc2sc(C(=O)NC)c(C)c2c(=O)[nH]1 95993719 GBZZWOGXRYURRJ-SFYZADRCSA-N 335.385 1.319 0 40 EDAB CCc1cc(N2CCC(Nc3ccc4nnc(C)n4n3)CC2)ncn1 89282931 QDFIVXYXIQIHBA-UHFFFAOYSA-N 338.419 1.866 0 40 EDAB CN(C(=O)c1[nH]nc2c1CCCC2)[C@H]1CCCC[C@H]1S(C)(=O)=O 89334963 VNLLZLJEBHMJDJ-UONOGXRCSA-N 339.461 1.716 0 40 EDAB CC[C@H](Oc1ccccc1F)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 75092963 HDMRRRHUJQMGSY-YCPHGPKFSA-N 336.407 1.963 0 40 EDAB Cc1cc(C)c(CNC(=O)NCCN(C)Cc2ccccc2)c(=O)[nH]1 75122567 YDMXMHNDSAXZMQ-UHFFFAOYSA-N 342.443 1.923 0 40 EDAB CN(C(=O)c1scnc1C1CC1)C1CCN(S(C)(=O)=O)CC1 89825683 SKZNSBDZVGQDRR-UHFFFAOYSA-N 343.474 1.517 0 40 EDAB CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 408709473 AZGFEYTWMCINFM-UHFFFAOYSA-N 339.395 2.000 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]12 409288409 HDCIGZYTDLPJNV-YKTARERQSA-N 341.363 1.680 0 40 EDAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24050987 ZIPAGENHORFDRU-UHFFFAOYSA-N 339.438 1.911 0 40 EDAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)c1 408672113 ZMPSECGMNSDFCQ-CASTZCHQSA-N 343.379 1.983 0 40 EDAB C[C@H](CN(C)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1nnn[nH]1 124153497 VPGIYSIRWSFNQQ-RDDDGLTNSA-N 344.202 1.802 0 40 EDAB CN([C@H](C(=O)O)c1c(F)cccc1F)S(=O)(=O)c1cn(C)cn1 527301405 OBZUKRPEAZHZCL-LBPRGKRZSA-N 345.327 1.145 0 40 EDAB CC(C)N1C[C@@H](C(=O)NC(C)(C)C)[C@@]2(Cc3ccccc3C(=O)N2)C1 72334494 AUPQIIBJLXGADX-OXJNMPFZSA-N 343.471 1.966 0 40 EDAB C[C@H](N)C(=O)N(C)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79393094 OERQWKFTWWGTTF-GOEBONIOSA-N 333.432 1.841 0 40 EDAB COC(=O)[C@@H](C)N(C(=O)CCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 32641330 YTVNYCNOUJOXNW-TZMCWYRMSA-N 345.461 1.534 0 40 EDAB COc1cc(CNC(=O)NCCn2c(=O)oc3ccccc32)ccn1 78604746 AKKZCZHRYZWGDG-UHFFFAOYSA-N 342.355 1.498 0 40 EDAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 218601827 GYOCTJNJWBUSNI-OKZBNKHCSA-N 330.453 1.845 0 40 EDAB CN(c1ncc(F)cn1)[C@@H]1CCN(C(=O)C2(c3ccccn3)CC2)C1 1056969236 FKEHFWONWPZZKI-CQSZACIVSA-N 341.390 1.780 0 40 EDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 36022947 GENUUNAQQVCPOX-SYMSYNOKSA-N 327.336 1.731 0 40 EDAB CNCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3nncs3)n2)C1 72360916 UQHIWYZANUIZRT-LLVKDONJSA-N 347.448 1.306 0 40 EDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 72242259 MFIQWWCBAKKFJW-WBVHZDCISA-N 335.423 1.803 0 40 EDAB Cn1ncc(NCCCOC2CCOCC2)c(Br)c1=O 78339055 SFLDXHBSPKSREU-UHFFFAOYSA-N 346.225 1.540 0 40 EDAB CC(=O)N1CCN(C(=O)N[C@H](C)c2nc3c(s2)CCC3)[C@H](C)C1 568965697 SBQGPTVWRCJSBZ-GHMZBOCLSA-N 336.461 1.955 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3cn(C(C)C)nn3)[C@H](C)C2)n[nH]1 575603412 GRQMECLWQYQLIY-CYBMUJFWSA-N 331.424 1.237 0 40 EDAB Cc1ccc(NC(=S)c2c(N)nc(N3CCOCC3)[nH]c2=O)cc1 40385512 KDEPUQOEAQZLAY-UHFFFAOYSA-N 345.428 1.285 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)c1cc(NC(=O)C2CC2)n(C)n1 46089089 BOFPGMXQFOQNTJ-UHFFFAOYSA-N 330.392 1.049 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)cn1)c1ccc2nc(O)[nH]c2n1 574103107 PDOUYOSDZZCOCQ-UHFFFAOYSA-N 340.343 1.147 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)n1)Nc1cccc(F)c1 224219906 HFZIDQHOSBGSNE-UHFFFAOYSA-N 331.351 1.774 0 40 EDAB Cn1nc(CNc2ncccn2)c2c1CN(Cc1ccncc1)CC2 96100691 CPNQJCRFVSDQFT-UHFFFAOYSA-N 335.415 1.776 0 40 EDAB CO[C@@H]1CCN(C(=O)NCc2ccccc2)[C@@H]1Cc1cnn(C)c1 96200617 AOMPLNSDDCOJOP-IAGOWNOFSA-N 328.416 1.962 0 40 EDAB O=C(c1ccncc1F)N1CC[C@H](Nc2ccc3nccn3n2)C1 583300579 CMLWKMFITHDENZ-NSHDSACASA-N 326.335 1.590 0 40 EDAB Cc1noc(CN2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)n1 96424572 LQDUWBUKOQLCDQ-UHFFFAOYSA-N 348.428 1.725 0 40 EDAB O=C1COC2(CCN(C[C@H]3CCOC3)CC2)CN1Cc1cccnc1 96201421 HCZZXXBZQDCLQI-QGZVFWFLSA-N 345.443 1.312 0 40 EDAB CS(=O)(=O)N1CCOCC12CCN(Cc1ccc(F)cc1)CC2 96048925 GDAZPUFUOKFLMS-UHFFFAOYSA-N 342.436 1.452 0 40 EDAB COC1(CN2CCC[C@](O)(c3cn(C(C)C)nn3)C2)CCOCC1 583617460 SWWKJENSVHGPAS-QGZVFWFLSA-N 338.452 1.338 0 40 EDAB CC(C)(C)c1ccc(C(=O)NC[C@H](O)Cn2ccccc2=O)cc1 96124341 DQKZLQPXQDLJHI-INIZCTEOSA-N 328.412 1.937 0 40 EDAB CO[C@@H]1CCC[C@H]1CNC(=O)N1CCCN(C(=O)C(C)C)CC1 331473963 KLQWJFYNSGRDGX-LSDHHAIUSA-N 325.453 1.701 0 40 EDAB O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1nccs1 95477032 NYKCTTUJVDKBGQ-LBPRGKRZSA-N 344.396 1.839 0 40 EDAB O=C(CC1CC1)NCc1cnc2n1CCN(C[C@@H]1CCOC1)CC2 96197049 BOYLRYSAVFOVFN-HNNXBMFYSA-N 332.448 1.194 0 40 EDAB CCn1c(SCCNS(C)(=O)=O)nnc1-c1ccccc1 96404667 YLTOCWRKFTXNJS-UHFFFAOYSA-N 326.447 1.606 0 40 EDAB COCCNC(=O)CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 95397810 QWWILRQFFUMSME-GHMZBOCLSA-N 326.343 1.337 0 40 EDAB CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccccc1F 96041494 LPLJRWDHDGPNCB-GVDBMIGSSA-N 336.407 1.776 0 40 EDAB Cn1c(S(=O)(=O)N2C[C@H](CO)c3ccccc32)cnc1Cl 585085703 SKCURJMKIWLDEA-SECBINFHSA-N 327.793 1.358 0 40 EDAB O=C(N1CCn2ncc(I)c21)C(F)(F)F 585139441 UFRPNIFWAQCUEO-UHFFFAOYSA-N 331.035 1.397 0 40 EDAB CCn1cnnc1CNS(=O)(=O)CC[C@@H]1CCc2ccccc21 585115458 BGXGLYSHKSAGQF-AWEZNQCLSA-N 334.445 1.838 0 40 EDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3nccn3C)C[C@@H]21 257340625 ZGXVOHOQCPXAJE-HZSPNIEDSA-N 326.404 1.197 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)COc2ccccc2Cl)CCO1 257336127 YNIGDPBRZYRGJH-CYBMUJFWSA-N 348.790 1.691 0 40 EDAB CNc1cncc([C@@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)n1 257338994 YZUJCBQYSXGYNU-AWEZNQCLSA-N 339.465 1.079 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2Cc2ccc(OCC(=O)O)cc2)n1 257344778 ZYQHLPOGOQQVAS-OAHLLOKOSA-N 331.372 1.755 0 40 EDAB CCc1cc(C(=O)N2CCNC[C@H]2c2cccc(C(=O)NC)c2)no1 257245770 IQZMHZIADUUTSO-INIZCTEOSA-N 342.399 1.383 0 40 EDAB CC(=O)N1CCC[C@@H]1c1nc(C)ncc1CNC(=O)c1cccn1C 257282092 OSHPMAZGSMNEDM-OAHLLOKOSA-N 341.415 1.737 0 40 EDAB CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)Cc1cccs1 257217178 CXVYYOAJRWPRGD-INIZCTEOSA-N 332.429 1.180 0 40 EDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2cn(C)nc2C)n1 257334190 YEXUFFVNAAATNZ-QGZVFWFLSA-N 341.415 1.737 0 40 EDAB O=C(O)Cc1ccc(O[C@@H]2CN(Cc3cccnc3)C[C@H]2O)cc1 257312601 UOTDZTSNBGHOII-IAGOWNOFSA-N 328.368 1.333 0 40 EDAB CCc1noc(CCC(=O)N2CCO[C@@H](c3nc(C)cn3C)C2)n1 257252865 JWKQVDJHGHEMFE-GFCCVEGCSA-N 333.392 1.207 0 40 EDAB CO[C@@H]1CCCC[C@@H](NC(=O)c2cc(C)nc3onc(C)c23)[C@H]1O 257294123 QSQDARASOGHGHU-UMVBOHGHSA-N 333.388 1.888 0 40 EDAB COc1ccc(CCC(=O)N2CCN(C[C@H](O)C3CC3)CC2)cc1 85436671 GFSBJHQFLDJFQX-SFHVURJKSA-N 332.444 1.543 0 40 EDAB Cn1cccc(C(=O)NCCc2nc(-c3cccs3)c[nH]2)c1=O 86071801 SANAEFNCWXJENV-UHFFFAOYSA-N 328.397 1.809 0 40 EDAB C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)N2CCOCC2)CCO1 271306801 VULFQQALFRLXPZ-KBAYOESNSA-N 347.459 1.927 0 40 EDAB COc1ccc([C@@H]2CCNC[C@H]2NC(=O)NC[C@H]2CCCO2)cc1 1614994244 YUKGSJKBFWZBFX-IXDOHACOSA-N 333.432 1.619 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)N1CCN(C)C(C)(C)CC1 1615548915 ULEWRXHNUKZXRK-LJQANCHMSA-N 331.460 1.738 0 40 EDAB COC(=O)c1ccc(CN(CCC(=O)O)Cc2ccccn2)n1C 1615554096 WLTJVBFMSWZPED-UHFFFAOYSA-N 331.372 1.684 0 40 EDAB O=S(=O)(NCc1noc(-c2cccs2)n1)[C@H]1CCC[C@H]1O 1615623272 VHNBLXICHAVMLA-SCZZXKLOSA-N 329.403 1.131 0 40 EDAB CC(C)[C@H](Nc1ccccc1)C(=O)N1CCN(S(C)(=O)=O)CC1 1615615074 SCJHSZVFBPTGSQ-HNNXBMFYSA-N 339.461 1.227 0 40 EDAB O=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2ccccc2)C1 96104376 XSRGVEDRDPXARH-UHFFFAOYSA-N 343.470 1.807 0 40 EDAB CC(C)C(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccn1C 575403116 IWDJSBAPZHPIBI-CQSZACIVSA-N 333.432 1.419 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)CC3CC3)C[C@H]12)c1cscn1 575404978 PYOYNMAFWKXWGE-OUCADQQQSA-N 335.429 1.146 0 40 EDAB O=C(c1cc[nH]n1)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575402618 CXVLTDFYZBXSTD-CYBMUJFWSA-N 330.413 1.722 0 40 EDAB CNC(=O)[C@@H]1COC2(CN(Cc3ccc(F)cc3)C2)CN1CC1CC1 585109653 YQOVOEHMAMYRQJ-KRWDZBQOSA-N 347.434 1.237 0 40 EDAB Cn1cc(CN2Cc3cncn3CC[C@@H]2COc2ccccn2)cn1 585097799 QGACRDDFJZLBGM-MRXNPFEDSA-N 338.415 1.865 0 40 EDAB Cn1cnc2c1C[C@H](CO)N(C(=O)c1ccc3c(c1)OCCCO3)C2 585094581 CIRYKBUMMDHFPV-CYBMUJFWSA-N 343.383 1.141 0 40 EDAB CCCn1nc(C(=O)N2CCN(c3ccccc3O)CC2)ccc1=O 26525679 FDKDHGLQNQDRAM-UHFFFAOYSA-N 342.399 1.321 0 40 EDAB COc1nc(C)ccc1CNC(=O)C(=O)Nc1ccc(F)cc1F 66221590 AIQHABUQWSFUJA-UHFFFAOYSA-N 335.310 1.932 0 40 EDAB COc1ccc(F)cc1[C@@H](C)NC(=O)NCCCNS(C)(=O)=O 46905071 KYFMPOUCMTUTML-SNVBAGLBSA-N 347.412 1.134 0 40 EDAB c1ccc(-n2cnnc2CNCc2cnc(N3CCCC3)nc2)cc1 48711644 HJGJJJBWYGQDHI-UHFFFAOYSA-N 335.415 1.947 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1 57819987 SUTXDFBEFXFOCK-UHFFFAOYSA-N 346.368 1.843 0 40 EDAB CN1CCC(CNC(=O)NCC(C)(C)O)(N2CCCCC2)CC1 74768009 RDTGMISJNFWHGM-UHFFFAOYSA-N 326.485 1.007 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CCc2ccccn2)CC1 83888650 BTNRDBUMOJSYIO-MRXNPFEDSA-N 344.459 1.169 0 40 EDAB O=C1C[C@@H](N(C(=O)COc2ccc3ccccc3c2)C2CC2)C(=O)N1 103278807 TWDNMZGDNLWULI-MRXNPFEDSA-N 338.363 1.625 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CCC(F)(F)F)CC1 88212974 NLEYFNSTLFANPL-LBPRGKRZSA-N 335.370 1.484 0 40 EDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)Nc1ccccc1 1547200915 BCSXMTFJZNXCKB-UHFFFAOYSA-N 349.350 1.672 0 40 EDAB CN(c1ccc(C(=O)COC(=O)c2ccco2)cc1)S(C)(=O)=O 5262370 YTMDTPLBQFATGZ-UHFFFAOYSA-N 337.353 1.715 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 5985606 XCAKVDMOGKUFQE-UHFFFAOYSA-N 334.397 1.921 0 40 EDAB Cc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1 11665621 KHVWSXKMBRGLPY-BBRMVZONSA-N 327.384 1.624 0 40 EDAB C[C@H]1CCc2nn(CCNC(=O)Cc3cccs3)c(=O)cc2C1 12232631 NFCOORAVISGWNS-LBPRGKRZSA-N 331.441 1.789 0 40 EDAB CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2cnn(C)c2)cn1 12234444 UYMKGNMKRKMLIB-HNNXBMFYSA-N 337.449 1.943 0 40 EDAB Cc1cc2nc([C@H](NC(=O)Cc3nonc3C)C(C)C)cc(O)n2n1 19129503 HBKOBGMHMVNZOK-MRXNPFEDSA-N 344.375 1.491 0 40 EDAB O=C(Cc1ccccn1)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19401201 PSSPUQRSVQQHPI-CQSZACIVSA-N 338.411 1.533 0 40 EDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC[C@H](N2CCOC2=O)C1 606440544 ADWFGUKQIYXLLZ-RYUDHWBXSA-N 348.355 1.236 0 40 EDAB O=C(CCn1nnc2ccccc21)N1CCNC[C@H]1c1ccccc1 618016770 ADPWVSUBFOINKY-SFHVURJKSA-N 335.411 1.995 0 40 EDAB CNC(=O)NC(=O)CSc1nc(NC2CC2)c2ccccc2n1 9609062 WBUMTPHDAVKYRC-UHFFFAOYSA-N 331.401 1.752 0 40 EDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2nnc(C(F)(F)F)o2)C1 1888853314 AFAVPOIVRGKABQ-UWVGGRQHSA-N 340.305 1.869 0 40 EDAB Cc1nnc2c(N3CCC(COc4cnccn4)CC3)nccn12 1889139490 YRTDPBWSISJVMZ-UHFFFAOYSA-N 325.376 1.518 0 40 EDAB CCOCC(=O)N1CCC(Cn2c(C)nc3ccccc3c2=O)CC1 1849073996 HAUIJIOPFBDOAO-UHFFFAOYSA-N 343.427 1.980 0 40 EDAB Cc1nn(C)cc1CN1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 2056223754 DKGMYVWQLZQXKP-ROUUACIJSA-N 327.432 1.209 0 40 EDAB CC(C)CN1C[C@@H]2CN(C(=O)Cc3noc4ccccc34)C[C@@H]2C1=O 1565554995 NHCRLAFTRUYRET-ZFWWWQNUSA-N 341.411 1.943 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 814002 XJWVRXDICCYCNM-UHFFFAOYSA-N 327.402 1.721 0 40 EDAB CSc1nnc(C)c(=O)n1COC(=O)COc1ccccc1F 4495816 TYDURSYUFVLTAD-UHFFFAOYSA-N 339.348 1.387 0 40 EDAB COC(=O)c1cc2c(nc1-c1cccnc1)CCN(C(C)=O)CC2 2055773074 RWFXAGPYIJLUGS-UHFFFAOYSA-N 325.368 1.877 0 40 EDAB Cc1cccc(CN[C@H]2CCc3onc(CN4CC[C@@H](O)C4)c3C2)n1 2055732616 USRUOYULQVYFGB-GOEBONIOSA-N 342.443 1.592 0 40 EDAB COc1ccnc(N2CC(n3nc(-c4ccccc4)ccc3=O)C2)n1 1775972522 JCJSRJODPFRACZ-UHFFFAOYSA-N 335.367 1.770 0 40 EDAB O=c1c2c3c(sc2ncn1C[C@H](O)CN1CCOCC1)CCCC3 28689969 TVPSPVVVGXSIJO-GFCCVEGCSA-N 349.456 1.030 0 40 EDAB CCOc1ncccc1CNC(=O)c1cc2c([nH]c1=O)CCCC2=O 30307997 QHVRITDOUUQPFP-UHFFFAOYSA-N 341.367 1.618 0 40 EDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21)Nc1ccccc1 100033019 ANPSMRSCUNPCAQ-HOTGVXAUSA-N 349.350 1.619 0 40 EDAB CC[C@@H](C)NC(=O)CN1CCN(Cc2nnsc2Cl)CC1 40497203 LLEWDAMCNPJISM-SNVBAGLBSA-N 331.873 1.224 0 40 EDAB COc1ccc(C)cc1[C@H](O)CN1CCN(c2ncccn2)CC1 51091168 FUEBCNUKFPBRLY-MRXNPFEDSA-N 328.416 1.649 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NCCc2cnn(-c3ccccc3)c2)C1 40501601 IKQNOACQCJDPSK-OAHLLOKOSA-N 348.472 1.981 0 40 EDAB C[C@@H](NC(=O)c1ccnc(N(C)C)c1)c1ccc2c(c1)NC(=O)CO2 40535521 AYUXSKIPZVXNSX-LLVKDONJSA-N 340.383 1.970 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3cccs3)CC2)C1 51874491 RQEJARGPLJTCHK-CYBMUJFWSA-N 336.461 1.183 0 40 EDAB Cc1nc(SCC(=O)N2CCC[C@H](C)C2)sc1CC(N)=O 32871320 NINYVDMJFWJHFA-VIFPVBQESA-N 327.475 1.830 0 40 EDAB O=C(CC[C@@H]1NC(=O)NC1=O)NCCOc1ccc2ccccc2c1 52975806 NZCDBQAQVNBSNX-HNNXBMFYSA-N 341.367 1.323 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C)c2)cc1 256135 DQBCHZAYHXNYJM-UHFFFAOYSA-N 334.397 1.921 0 40 EDAB CCOc1cc(C(=O)Nc2nnnn2C)cc(OCC)c1OCC 514930 YMTIMAJYIQXUPF-UHFFFAOYSA-N 335.364 1.659 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O 46884853 VIALJKVPZDLZCH-GOEBONIOSA-N 345.443 1.415 0 40 EDAB Cc1nc2c(cc1C(=O)N[C@H](C)CN1CCOCC1)c(C)nn2C 47151628 ZHQUXFMCJCDYQX-LLVKDONJSA-N 331.420 1.036 0 40 EDAB Cc1n[nH]c2c1[C@@H](c1ccc(O)cc1)c1c(n(C)c(=O)n(C)c1=O)N2 79501698 LRHVHHAUJJPWON-GFCCVEGCSA-N 339.355 1.058 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)Cc2cc(F)ccc2F)CC1 79857084 IVFMGRJOKRVCAM-UHFFFAOYSA-N 346.399 1.295 0 40 EDAB Cc1noc(C2CCN(Cc3nc(O)c4cnn(C)c4n3)CC2)n1 53618436 TYASUCDHPCIHHU-UHFFFAOYSA-N 329.364 1.140 0 40 EDAB CC(C)c1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 2789165 OQRNXFOZDUCVTH-PYHGIMPFSA-N 328.368 1.617 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)CSc2nnc3ccccn23)C1 22837853 FNPQGLFDJHDEBP-LBPRGKRZSA-N 348.428 1.623 0 40 EDAB COc1cccc(CN(C)[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)c1 42295839 RGFVVOGLUCMTNM-ZFWWWQNUSA-N 333.432 1.239 0 40 EDAB CS(=O)(=O)c1ccc(CNc2ncc(C(N)=O)cc2Cl)cc1 54059110 CAKHRGWFFRFBJR-UHFFFAOYSA-N 339.804 1.850 0 40 EDAB c1cnnc(NC[C@H]2CN(CCc3ccc4c(c3)CCO4)CCO2)c1 84429230 AYLGFEKJHGSBQL-KRWDZBQOSA-N 340.427 1.767 0 40 EDAB CNC(=O)NC(=O)[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1 23717778 PWRWUWLNRYEUGK-MRXNPFEDSA-N 341.367 1.702 0 40 EDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCc3cnn(C)c3)c12 42758408 SQWULRPTDXFMQM-UHFFFAOYSA-N 338.415 1.860 0 40 EDAB CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NC2CC2)nn1 8298513 SDEHYEXGJUSBNV-YUELXQCFSA-N 331.464 1.565 0 40 EDAB biogenic,in-vitro CCOC(=O)Nc1ccc(C(=O)NCc2nnc3n2CCC3)cc1 24993112 HBHFUYUPGPVHIT-UHFFFAOYSA-N 329.360 1.723 0 40 EDAB CC[C@H]1CN([C@H](C)C(=O)N2CCCCCC2)CCN1CCOC 106777139 LPAFSSDLWUQCTK-SJORKVTESA-N 325.497 1.820 0 40 EDAB CCC[C@@H](C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230744 HEJAIIBURFLGJH-GFCCVEGCSA-N 328.434 1.766 0 40 EDAB O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 107136956 RXNXMCKZVXFNLE-BRSBDYLESA-N 332.419 1.987 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2cc(C)c(C(=O)OC)o2)c2ccccc2O1 25928996 XGXUNDDYXMSJGA-HNNXBMFYSA-N 344.367 1.888 0 40 EDAB C[C@@H](c1ccc(OCC(=O)NC2CC2)cc1)N1C(=O)[C@@H](C)NC1=S 55179419 ZYKJYVGCWMSXEU-MNOVXSKESA-N 347.440 1.510 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N(C)Cc3cnn(C)c3)cnc12 24478825 SMYTZBQCQNSAPI-UHFFFAOYSA-N 339.399 1.487 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)O 108137160 QBSIZWIPLFEVJN-SMDDNHRTSA-N 329.466 1.469 0 40 EDAB Cc1cc(C)cc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102891023 CJWNWJRLCRFLKF-OIISXLGYSA-N 329.396 1.994 0 40 EDAB CNC(=O)c1cccc(NC(=O)CNc2ccccc2C(N)=O)c1 22804233 LAEHXKSGRICVFJ-UHFFFAOYSA-N 326.356 1.196 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1ccccc1N1CCOCC1 58278550 AIKFGNOQRUEKSA-UHFFFAOYSA-N 328.416 1.804 0 40 EDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(SC)cc1 58201436 HGYDLDMHAYDQAD-ZDUSSCGKSA-N 328.459 1.698 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCN1CCN(c2ccc3nncn3n2)CC1 71863672 UQEUUOYALZNUCI-CVEARBPZSA-N 344.463 1.842 0 40 EDAB C[C@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)N1CCOCC1 58280559 ZLFONJCHORYLSH-LBPRGKRZSA-N 329.356 1.319 0 40 EDAB O=C(NCCCn1cccn1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 44913755 LETSLLYXPKUZMS-GFCCVEGCSA-N 348.353 1.721 0 40 EDAB CCN1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2F)CC1 44910476 DVBIDXMWADLZTO-UHFFFAOYSA-N 332.397 1.169 0 40 EDAB CCN(CCNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(C)c1 44945708 BCTSCLRNRLCFBA-AWEZNQCLSA-N 339.461 1.308 0 40 EDAB CN(Cc1nnc2ccccn12)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 58327521 VRGLSMHDLMOBBO-AWEZNQCLSA-N 349.394 1.741 0 40 EDAB CCn1c(SCCN2C(=O)NC(C)(C)C2=O)nnc1-c1ccco1 28006675 QPCMHHJJHHCJIW-UHFFFAOYSA-N 349.416 1.981 0 40 EDAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2F)CC1 57355103 NFMANGDLKHKNBS-QAPCUYQASA-N 347.434 1.899 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(C)c(C)c2)NC(=S)N1 56044482 MHNOGCHHLOTDKR-MRXNPFEDSA-N 345.468 1.955 0 40 EDAB CCOC(=O)c1cc(=O)n2c(c1C(=O)c1ccc(C)cc1)NCC2 103584680 QRTXKNIHYKZRQG-UHFFFAOYSA-N 326.352 1.990 0 40 EDAB COc1cc(F)c(S(=O)(=O)N(C)c2cnn(C)c2)cc1OC 71921641 ARUKKRXZGOKAGX-UHFFFAOYSA-N 329.353 1.402 0 40 EDAB C[C@H](NC(=O)NCC(C)(C)N1CCOCC1)c1ccc2c(c1)OCO2 45113309 RQLQHKLOPZCKEF-ZDUSSCGKSA-N 349.431 1.886 0 40 EDAB CNC(=O)c1ccc(NC(=O)NCC(=O)NC2CCCCC2)cc1 58611187 YMBDCZSOXRREJT-UHFFFAOYSA-N 332.404 1.617 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)N1CCN(c2nccs2)CC1 28406574 FXWNPUMTNWMONE-CQSZACIVSA-N 344.440 1.978 0 40 EDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCN(C)C)nn12)CCC3 2362358 SYTZEOVOGSVAAS-UHFFFAOYSA-N 344.444 1.428 0 40 EDAB Cc1nnc(NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)s1 45846347 KPIPXGVZXSUEDO-UHFFFAOYSA-N 347.448 1.315 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c1 46036421 YZNIHPUMXSJVKS-UONOGXRCSA-N 340.445 1.609 0 40 EDAB COc1ccccc1C(=O)NC(=O)COC(=O)Cc1ccsc1 2629925 SWIXQVWFEZUMMY-UHFFFAOYSA-N 333.365 1.799 0 40 EDAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)cc1 64573303 YTFACLZUIMLCNL-UHFFFAOYSA-N 330.475 1.944 0 40 EDAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 92760260 VNGSFSRGXFDAQC-RYUDHWBXSA-N 326.422 1.060 0 40 EDAB CCOC(=O)Cn1nc(C)n(-c2cccc(C(F)(F)F)c2)c1=O 4089255 CNJGDEZPDDUMRG-UHFFFAOYSA-N 329.278 1.924 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)c2cnc3n(c2=O)CCS3)c1 8993845 BAPPFDUBAXLREV-UHFFFAOYSA-N 345.380 1.696 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc2c(=O)[nH]c(S)nc2c1 65475633 VTJKMTAJEXJESQ-DTWKUNHWSA-N 348.428 1.245 0 40 EDAB CCOC(=O)Cc1csc(SCC(=O)NC(=O)NC(C)C)n1 6349882 ZDDUUAWIFORSRZ-UHFFFAOYSA-N 345.446 1.575 0 40 EDAB O=C(CSc1nc(/C=C/c2cccs2)n[nH]1)N1CCNC1=O 14183306 GFSCVSUHKFYZRW-ONEGZZNKSA-N 335.414 1.681 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nnnn1-c1ccccc1 14140966 LAVNJFRFKHYWME-NSHDSACASA-N 348.432 1.625 0 40 EDAB CN(C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)N1CCCC1 65622168 VIJKGZRXWVUSPL-UHFFFAOYSA-N 347.431 1.669 0 40 EDAB CCN(C(=O)c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 4504897 ZKDXNUXHQYFYDY-QMMMGPOBSA-N 336.207 1.691 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1C 5579754 MKFBOWOIZZHNSY-MRVPVSSYSA-N 339.446 1.404 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1 66158617 HDDMMMHRPIAWRW-CQSZACIVSA-N 337.445 1.792 0 40 EDAB COC(=O)c1occc1CN1CCCC[C@@H]1C(=O)N1CCOCC1 66892880 IGHPCNXPUDWLNM-CQSZACIVSA-N 336.388 1.280 0 40 EDAB O=C(CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CC1)NC1CC1 67132420 LBQLZKJZDFRMFF-SJORKVTESA-N 345.418 1.352 0 40 EDAB O=C(COC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21)NC1CC1 7025038 JZNFITLHROJJQO-AWEZNQCLSA-N 329.356 1.043 0 40 EDAB CC(C)(C)OC(=O)N(CCNC(=O)N1CCC[C@H](CO)C1)C1CC1 67421751 OACONVXEFDVPBR-ZDUSSCGKSA-N 341.452 1.800 0 40 EDAB Cc1nnc(S[C@H](C)C(=O)NC(N)=O)n1CCc1cccs1 67757684 KWOUPNSKDWNSQE-MRVPVSSYSA-N 339.446 1.566 0 40 EDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn2ccccc2n1 15760534 RNYVCTBRIUDHRN-UHFFFAOYSA-N 333.351 1.843 0 40 EDAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O 15825177 ZSKPIQSWALSQPH-SNVBAGLBSA-N 344.396 1.366 0 40 EDAB Cc1ccc(C)c(OCC(=O)OCC(=O)NC(=O)NCC(C)C)c1 7799878 YCCVCUWBUPZMMQ-UHFFFAOYSA-N 336.388 1.707 0 40 EDAB COc1cc(C(=O)N2CCC[C@H](C)C2)cc(OC)c1OCC(N)=O 16642448 MZVVZDZCWBPIRF-NSHDSACASA-N 336.388 1.440 0 40 EDAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)N1CCNC1=O 9499563 IZUMQOWVASQJDQ-UHFFFAOYSA-N 325.771 1.995 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCCN(c2cccnn2)CC1 70004105 CDPNSLVYCDAXAF-UHFFFAOYSA-N 334.383 1.772 0 40 EDAB CC1=NN(c2ccc(C(=O)N3CCc4nnc(N)cc4C3)cc2)CC1 70017334 IZGIELCYLLODRH-UHFFFAOYSA-N 336.399 1.843 0 40 EDAB FC(F)(F)c1nnc2ccc(N3CCC[C@H](C4OCCO4)C3)nn12 69310198 LYDJDLZRKPSCIG-VIFPVBQESA-N 343.309 1.732 0 40 EDAB Cc1ccc(NS(C)(=O)=O)c(C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 69434076 QGTGVDCEUOQEKP-FZMZJTMJSA-N 326.418 1.664 0 40 EDAB Cc1nnc2n1CCN(CC(=O)NC[C@@H]1CCCc3ccccc31)C2 69510861 TVVDXRYAXYKKPS-INIZCTEOSA-N 339.443 1.638 0 40 EDAB CC(C)N1C(=O)CN(CN2CCN(c3ccccc3F)CC2)C1=O 69566179 CLHCXZYYJDLNHJ-UHFFFAOYSA-N 334.395 1.578 0 40 EDAB CN(C)c1nc(N)nc(CN2CCO[C@@H](c3ccccc3Cl)C2)n1 69528473 ZGLRKJIEXUPQQQ-CYBMUJFWSA-N 348.838 1.747 0 40 EDAB C[C@H]1CN(CC(=O)NCc2ccccc2)CCN1Cc1nccn1C 69619105 AAQSAYCWIKSTHG-INIZCTEOSA-N 341.459 1.243 0 40 EDAB CCc1cc2c(N(C)C[C@H](O)CN3CCN(C)CC3)ncnc2s1 69702492 KIAMCPLSVRADPE-ZDUSSCGKSA-N 349.504 1.298 0 40 EDAB CCO[C@H](CC)C(=O)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 69841671 KCIVNXUZKQPOQE-CQSZACIVSA-N 341.371 1.862 0 40 EDAB COc1cccc(-c2nsc(NC(=O)C3=NN(C)C(=O)CC3)n2)c1 69813190 UARVRPYKOCRJOS-UHFFFAOYSA-N 345.384 1.760 0 40 EDAB c1cnnc(N2CCC[C@@H](NCc3cnc(N4CCCC4)nc3)C2)c1 69951427 PVLRKJWHWIYPTH-MRXNPFEDSA-N 339.447 1.625 0 40 EDAB CN(C(=O)CNC(=O)c1cccc(F)c1)[C@H]1CCCc2c1cnn2C 97083302 CFGMRGQKYNSUNE-HNNXBMFYSA-N 344.390 1.825 0 40 EDAB COCC(=O)N1CCN(C(=O)N[C@H](C)c2cc(C)cc(C)c2)CC1 72271330 GHDWVQXPWYYEHY-OAHLLOKOSA-N 333.432 1.865 0 40 EDAB O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCS(=O)(=O)CC1 72294070 RGNGDJRFSQJQHM-OLZOCXBDSA-N 328.821 1.636 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@H](c2noc(C)n2)C1 72231746 ZIOFYICMCVDKBR-PWSUYJOCSA-N 329.422 1.297 0 40 EDAB COc1c([C@H]2CCCN2C(=O)c2ccc(C(N)=O)cc2)c(C)nn1C 72234272 KSFBPGAQHRXUFQ-CQSZACIVSA-N 342.399 1.813 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1NS(C)(=O)=O 95389832 USWFWHMNXZTUCW-LBPRGKRZSA-N 340.401 1.303 0 40 EDAB Cn1nc(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)ccc1=O 97199189 BMAILFWZRJSBTD-NSHDSACASA-N 329.404 1.019 0 40 EDAB C[C@@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)C(=O)N1CCNC1=O 97140109 UEHGLDBIDQXEDU-LLVKDONJSA-N 347.806 1.937 0 40 EDAB Cc1cccc(OC[C@H](O)CN2CCc3ncnc(N(C)C)c3C2)c1 97200418 BQPOXZPJYWNQPU-OAHLLOKOSA-N 342.443 1.649 0 40 EDAB Cc1csc(NC(=O)C2CCN(C(=O)c3cn[nH]c3C)CC2)n1 95404117 LNUQWKNSKVHZKE-UHFFFAOYSA-N 333.417 1.974 0 40 EDAB CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)Nc1cccc(C(=O)O)c1 95424980 HVUCKLADAFFYHA-OAHLLOKOSA-N 347.392 1.979 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)NCCc1cc(F)ccc1F 95436990 NEBXPBZXUOQVDZ-HNNXBMFYSA-N 337.370 1.960 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CCNC(=O)NC(C)(C)C)C2=O)cc1 95980777 JOFLXISRFQBJRA-SFHVURJKSA-N 346.431 1.860 0 40 EDAB CC(C)C[C@@H](CO)NC(=O)NCc1ccccc1N1CCN(C)CC1 95969996 JYKWTGOIWZPXLC-KRWDZBQOSA-N 348.491 1.645 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)c3ccn(C(C)C)n3)CC2)on1 95959001 SFOZGSFPYXTBEN-UHFFFAOYSA-N 331.376 1.359 0 40 EDAB Fc1cccc(CN(C[C@H]2CCCO2)c2ccc3nnnn3n2)c1 95974216 VMNGTYSIOJJKLB-CQSZACIVSA-N 328.351 1.844 0 40 EDAB C[C@H](NC(=O)CNC(=O)c1ccsc1)[C@H](O)c1ccc(F)cc1 95992397 FSJBMTRGOUCWGZ-BONVTDFDSA-N 336.388 1.855 0 40 EDAB COCCOc1ccc(S(=O)(=O)Nc2c[nH]c(=O)cc2C)cc1 75109695 JRJJBSNQANXPRQ-UHFFFAOYSA-N 338.385 1.509 0 40 EDAB Cc1ccc([C@@H](CNC(=O)N2CCOC[C@H]2C)N2CCOCC2)o1 89652512 AGABZWFNQDUPQB-UKRRQHHQSA-N 337.420 1.392 0 40 EDAB Cc1csc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)n1 89705743 DSHKBTQTWOYIAH-CYBMUJFWSA-N 331.397 1.818 0 40 EDAB NC(=O)c1cncc(NCc2nn(-c3ccccc3)c3c2CCC3)n1 89857554 ZXUNHKGEIJRESP-UHFFFAOYSA-N 334.383 1.862 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)N3CC[S@](=O)C(C)(C)C3)ccc21 89919632 YIXAPMDXKGBITJ-HSZRJFAPSA-N 337.401 1.506 0 40 EDAB CN(C)c1cccc(CNCc2cnc(N3CCOCC3)nc2)c1 75584077 HHJGZUCBRHPQHM-UHFFFAOYSA-N 327.432 1.669 0 40 EDAB O=C(Cc1cccc(C(=O)O)c1)N[C@]1(CO)COc2ccccc2C1 1550930554 GWRMVAHKQVFRKG-LJQANCHMSA-N 341.363 1.410 0 40 EDAB CCn1nc(C)c(CNS(=O)(=O)c2cccnc2C(=O)O)c1C 516056819 CIBFBDQPWICCID-UHFFFAOYSA-N 338.389 1.092 0 40 EDAB Cc1cc(N2CCN(CCCF)CC2)n2nc(C(F)(F)F)nc2n1 521398617 UTNMKVBZXWUQJP-UHFFFAOYSA-N 346.332 1.933 0 40 EDAB Cc1cc(=O)c(OCC(=O)Nc2ccc3nc(CO)[nH]c3c2)c[nH]1 524735625 OKYHYCPAGHHWSY-UHFFFAOYSA-N 328.328 1.069 0 40 EDAB COc1ccc(CC[C@@H](C)NC(=O)CCCN2C(=O)CNC2=O)cc1 79121968 YKCCVRXQMLWSAO-CYBMUJFWSA-N 347.415 1.465 0 40 EDAB CCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217496261 KIPZCMLLBRQMMH-GFCCVEGCSA-N 342.417 1.664 0 40 EDAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)NC1CCCC1 70640175 ZWXZNOCFGLTLJH-CYBMUJFWSA-N 344.333 1.914 0 40 EDAB Cc1ncn(-c2ccc(NC(=O)CCNS(C)(=O)=O)cc2)c1C 564654008 AEZOJYYXTUTJKH-UHFFFAOYSA-N 336.417 1.367 0 40 EDAB CCOC(=O)C1CCN(C(=O)Cn2nc(C)c(Cl)c2C)CC1 32648163 MBUCUMLGGUUPND-UHFFFAOYSA-N 327.812 1.955 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2)ncc1C(N)=O 72345406 MSIBNYCYKRDGPD-OAHLLOKOSA-N 340.383 1.626 0 40 EDAB O=C(NCCCn1ccnc1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 79351762 SZYRKYCFAQWQFM-HNNXBMFYSA-N 334.326 1.861 0 40 EDAB O=C(Nc1ccc(Cn2cncn2)cc1)c1ccccc1-n1cnnn1 72400924 ICJRHKIVVASMLC-UHFFFAOYSA-N 346.354 1.554 0 40 EDAB Cc1cc(N2CCC[C@](CCCc3cnccn3)(C(N)=O)C2)ncn1 72369023 HFUMPZJENWSAKR-SFHVURJKSA-N 340.431 1.670 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cnc2ccccc2n1 36762866 IKLKDNOUYGQAQB-LBPRGKRZSA-N 348.428 1.174 0 40 EDAB Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nnn1C 565996879 LRRHZFZFONLPEM-SNVBAGLBSA-N 333.779 1.769 0 40 EDAB O=C(Cc1ccccc1C(=O)O)Nc1cc(-n2cnnn2)ccc1F 71279249 YYGXYHYETWYBOQ-UHFFFAOYSA-N 341.302 1.681 0 40 EDAB O=C(Cn1cccn1)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225779827 MRZDLXZEJBXUPC-UHFFFAOYSA-N 343.774 1.129 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 69460311 GGOZBTQTZILMNK-STQMWFEESA-N 339.465 1.145 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 225413909 KOGYPBQMFDMZGA-SSZLPKHZSA-N 333.432 1.648 0 40 EDAB CN(C(=O)c1ccc(S(N)(=O)=O)c(F)c1)c1ccc(F)cc1 80580513 QOBQQBAHXQBOLA-UHFFFAOYSA-N 326.324 1.889 0 40 EDAB C/C=C/C[C@H](CO)NS(=O)(=O)c1c(F)c(F)cc(F)c1F 193840027 FYTOAZHREDTCDI-TYWZFMJISA-N 327.299 1.848 0 40 EDAB Cc1nc(CNC(=O)c2cc(N3CCOCC3)ccn2)sc1C 131401919 OQZFFNKQVDMRMO-UHFFFAOYSA-N 332.429 1.922 0 40 EDAB O=C(O)c1[nH]c(=O)n(-c2ccccc2)c(=O)c1CN1CCCCC1 222657536 ZMPOVYLBRSQDPN-UHFFFAOYSA-N 329.356 1.210 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(=O)O)ccc1C 49546246 SCWUKGANNVCACJ-CYBMUJFWSA-N 333.388 1.232 0 40 EDAB COc1cc(OC)cc(C(=O)NCCCc2cnc3ncnn3c2)c1 225642206 JZQKDDAHVKTHTA-UHFFFAOYSA-N 341.371 1.504 0 40 EDAB CN1CCC[C@H](N2CCN(CCc3ccc4c(c3)CCO4)CC2)C1 96443356 RVEYYSVOFPUBML-IBGZPJMESA-N 329.488 1.876 0 40 EDAB CO[C@H](C)CS(=O)(=O)NCCN1CCc2c(Cl)cccc2C1 195466713 BREJJMUBUJPCOH-GFCCVEGCSA-N 346.880 1.652 0 40 EDAB CN(C)CCN1CC2(CCN(Cc3cccs3)CC2)OCC1=O 96201350 RJUFYJFUEOCDOT-UHFFFAOYSA-N 337.489 1.503 0 40 EDAB COC[C@@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1ccc(C)cc1)C2 96220291 JNEPLFABZDTVNL-DOTOQJQBSA-N 338.473 1.584 0 40 EDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)n1 96108310 FMCALYZYUCCVQQ-APWZRJJASA-N 344.459 1.644 0 40 EDAB COc1ccccc1C(=O)N1CCO[C@@]2(CCCN(C(C)=O)C2)C1 96268736 NMJIXRDHLGUCMC-GOSISDBHSA-N 332.400 1.549 0 40 EDAB C[C@@]1(NC(=O)CNC(=O)c2ccc(Br)s2)CCOC1 96486102 SFIUTLYUXDPIOP-GFCCVEGCSA-N 347.234 1.536 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)CCn2cncn2)cc1 583616216 WGKPMZVQUVYWRR-FUHWJXTLSA-N 344.415 1.576 0 40 EDAB C[C@@H](c1ccsc1)N1CCN(C(=O)NCCCn2ccnn2)CC1 97378525 JBEFZHZWYNDMQH-AWEZNQCLSA-N 348.476 1.818 0 40 EDAB Cc1ccoc1C(=O)NCCCNC(=O)[C@@H]1Cc2ccccc2O1 96413987 JYAUUZZJVDQYCB-HNNXBMFYSA-N 328.368 1.828 0 40 EDAB COC[C@@H]1CN(C(=O)c2cnccn2)Cc2ncn(CC3CC3)c21 96045078 LBIGMOKXRQWIMQ-ZDUSSCGKSA-N 327.388 1.469 0 40 EDAB c1cnc(OC[C@@H]2CC[C@H]3[C@@H]2OCCN3Cc2nccs2)nc1 96055270 ZDJMKGOAQFNDOR-KCQAQPDRSA-N 332.429 1.992 0 40 EDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccccn1 96060569 ZEGVFNFWVKFKHI-HNNXBMFYSA-N 327.388 1.469 0 40 EDAB C[C@H]1C[C@H](NC(=O)NCCCn2cccn2)C(=O)N1c1ccccc1 96439187 AAUFBOUWTBZUSR-HOCLYGCPSA-N 341.415 1.766 0 40 EDAB O=C(C[S@](=O)Cc1cc(F)cc2c1OCOC2)NC1CCCC1 96404560 CLQXRWBZWFWDAU-QHCPKHFHSA-N 341.404 2.000 0 40 EDAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(N)CO)cc1 242648734 RFIBODUCCUMGBI-KURKYZTESA-N 331.437 1.879 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 257215262 CPJXWNQAXSBNNQ-ZDUSSCGKSA-N 347.419 1.768 0 40 EDAB O=C(Cc1nnc(O)c2ccccc12)NCc1ccc2nc(O)[nH]c2c1 544340503 CUFPNMKFFVXTAO-UHFFFAOYSA-N 349.350 1.776 0 40 EDAB O=C(O)CCC(=O)N1CCC[C@H]1c1ccnc(CN2CCOCC2)c1 257269928 MRZWYLPSQJHSNU-INIZCTEOSA-N 347.415 1.442 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1n1cccn1)C(=O)NCCF 252497475 QJBFVSKLPWSYSZ-AVGNSLFASA-N 325.388 1.140 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ocnc3C)CCO2)n1 257291692 QIEVQPAYHPTOQL-OAHLLOKOSA-N 330.388 1.966 0 40 EDAB COC(=O)c1cn([C@@H]2CCCC[C@H]2OC(=O)[C@H](C)SC)nn1 252477380 MULSEXVRUDPKCF-MVWJERBFSA-N 327.406 1.843 0 40 EDAB COc1cccc(S(=O)(=O)N2CCO[C@H](c3nc(C)c[nH]3)C2)c1 257253476 JZBNVIJUQNPGPE-AWEZNQCLSA-N 337.401 1.489 0 40 EDAB CN1CCCN([C@H]2CCN(C(=O)c3ccccc3)CC[C@@H]2O)CC1 257328559 XGENPNUVLHNCPU-ROUUACIJSA-N 331.460 1.290 0 40 EDAB Cc1noc(C)c1CC(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257235111 GWMDXGYAJPEISN-GOSISDBHSA-N 344.415 1.377 0 40 EDAB O=C(c1cc2c(nc1O)CCC2)N1CCO[C@@H](c2ccncc2)C1 257315232 VALGBBCLCXGCOZ-MRXNPFEDSA-N 325.368 1.885 0 40 EDAB Cc1cc(NCc2ccccc2S(=O)(=O)N(C)CCO)ccn1 274748559 BGJWJROFCYOCGE-UHFFFAOYSA-N 335.429 1.615 0 40 EDAB COCC[C@H](CO)NC(=O)[C@H]1CCC=CN1C(=O)OC(C)(C)C 1615549131 KNORYIZZRKFRNH-CHWSQXEVSA-N 328.409 1.413 0 40 EDAB NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)c3cnsn3)cc2)C1 299542734 AEXKQRYWVJULJU-GFCCVEGCSA-N 345.428 1.488 0 40 EDAB COC(=O)[C@@H]1[C@H]2[C@H]1N(C(=O)OC(C)(C)C)C(=O)[C@@H]2Br 390769694 IDBRBQSVIDEUTJ-WCTZXXKLSA-N 334.166 1.315 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)c3nccn3C)CCO2)c1 585276011 KSFUWVPLCNXZSL-SFHVURJKSA-N 329.400 1.175 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 585095722 FXPPQMNAZLJOFP-AWEZNQCLSA-N 330.388 1.722 0 40 EDAB CS(C)(=O)=NCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 585137040 FKZSJJKYQIHQBH-OAHLLOKOSA-N 338.477 1.288 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ccnc(C)n1 585288238 SFJWJUVVIJHDMK-KBXCAEBGSA-N 346.431 1.463 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cccs2)[C@H]2CCO[C@@H]21 585109404 NISAHPBYMGXXEP-VNHYZAJKSA-N 346.408 1.887 0 40 EDAB O=S(=O)(CCN1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 69376405 SYNWUTWXOBSGFS-OAHLLOKOSA-N 335.429 1.058 0 40 EDAB O=C(NCCNc1ncccc1C(F)(F)F)c1ccc(=O)[nH]c1 56991848 FFZIWASOOUQSIH-UHFFFAOYSA-N 326.278 1.631 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCCN([C@H]2CCSC2)CC1 1565521866 DNAFLMUVNMLOIT-WMLDXEAASA-N 348.468 1.866 0 40 EDAB Cc1occc1CN(C)C(=O)[C@H]1COCC(=O)N1Cc1ccccc1 89540695 AYBSLFIZFNVGEV-QGZVFWFLSA-N 342.395 1.974 0 40 EDAB COc1ccc([C@H](CC(=O)NCCO)c2oc(C)cc(=O)c2O)cc1 1547139628 WFTPMAUBFAIREB-AWEZNQCLSA-N 347.367 1.293 0 40 EDAB biogenic O=C(c1cocn1)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615152562 AMADCHZCICBRQR-KRWDZBQOSA-N 345.330 1.462 0 40 EDAB CCC(CC)c1nnc(NC(=O)N2C[C@H](CO)C[C@H]2CO)s1 1615587439 LWHNKNZAOXGUTL-KOLCDFICSA-N 328.438 1.649 0 40 EDAB COc1ccc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cn1 11530463 YHBMCJPVCDVIQJ-UHFFFAOYSA-N 329.356 1.718 0 40 EDAB Cc1c(C(=O)O[C@H]2C[C@@H](c3ccc(F)cc3)N(C)C2=O)cnn1C 12143230 LCTNJQDWEYBZCF-GJZGRUSLSA-N 331.347 1.996 0 40 EDAB CC(=O)c1ccccc1OCCOC(=O)c1nc2nccc(C)n2n1 12751029 VUOUMKJPMNKHHI-UHFFFAOYSA-N 340.339 1.871 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 14093778 HMECISQLRDOYKJ-LBPRGKRZSA-N 326.418 1.236 0 40 EDAB O=C(C1CCNCC1)N1CCC(O)(Cn2ccc3ccncc32)CC1 19404713 DMHHVZSBKGOHOM-UHFFFAOYSA-N 342.443 1.389 0 40 EDAB C[C@H]1Cc2cc([C@H](O)CN3CCOCC3)ccc2N1C(=O)C1CC1 19497839 JYLDVVWUAVSJSG-SCLBCKFNSA-N 330.428 1.740 0 40 EDAB Cc1ccc(=O)n(Cc2nc(CC(=O)Nc3ccccc3)no2)n1 78774427 ZOXJWAJKQVDDEL-UHFFFAOYSA-N 325.328 1.164 0 40 EDAB CN([C@H]1C[C@@H](C(=O)O)C1)S(=O)(=O)c1cccc2nsnc12 530142587 HEUYSUUIDBTOEO-OCAPTIKFSA-N 327.387 1.175 0 40 EDAB CC1(C)C[C@]2(CCCN2C(=O)CCn2ccnc2)[C@H](CC(N)=O)O1 643586048 SZDCUYRXQHNCLA-SUMWQHHRSA-N 334.420 1.077 0 40 EDAB COC1CCN(c2ccc(C(=O)NCCn3cncn3)cc2)CC1 253407884 WWJQZYDYBIHJAA-UHFFFAOYSA-N 329.404 1.323 0 40 EDAB COC(=O)[C@]1(NC(=O)[C@H]2CCCO2)CCCN(Cc2ccccc2)C1 584907868 QFDSGLBTJJNHCE-APWZRJJASA-N 346.427 1.489 0 40 EDAB COC(=O)c1ccc(COC(=O)c2nc3nc(C)cc(C)n3n2)o1 5021348 JCQXOWWMFRCUGN-UHFFFAOYSA-N 330.300 1.478 0 40 EDAB COc1ccnc(N2C[C@H]3CN(C(=O)c4c(C)noc4C)C[C@@H]3C2)n1 1888844586 LNUCJLOAPJCNOL-CHWSQXEVSA-N 343.387 1.298 0 40 EDAB COc1ccc(C)c2sc(N3CC[C@@]4(C3)NC(=O)NC4=O)nc12 1888864322 PIQSSNLZGXVBIM-HNNXBMFYSA-N 332.385 1.402 0 40 EDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cccnc5)C[C@H]4C3)nn12 1888879388 JQIBGOYPOBSVCZ-GASCZTMLSA-N 349.398 1.036 0 40 EDAB Cc1noc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)n1 1888888319 IVBIUFBUAZJQPZ-OKILXGFUSA-N 348.428 1.131 0 40 EDAB NC(=O)c1cc(OC2CN(C(=O)Cc3ccc(F)cc3F)C2)ccn1 1889149287 DSHZATXJVDQMBU-UHFFFAOYSA-N 347.321 1.291 0 40 EDAB COCc1cn([C@H]2CCN(S(=O)(=O)/C=C/c3ccccc3)C2)nn1 1565523270 KNWKNNHCQFFDFX-DZZUKKPASA-N 348.428 1.672 0 40 EDAB COc1cccc(CCNC(=O)c2cc3cccnc3n(C)c2=O)c1 5303747 KKCXSIRBJOGMPC-UHFFFAOYSA-N 337.379 1.915 0 40 EDAB CCOc1ccccc1CCC(=O)N1CC(CN2C(=O)COC2=O)C1 575616519 MVCKKXHXNNHMTG-UHFFFAOYSA-N 346.383 1.455 0 40 EDAB CSc1ccc(CCC(=O)N2CC(N3C(=O)[C@H]4C[C@H]4C3=O)C2)cc1 585388343 VUYHXJXDQNDZAU-GASCZTMLSA-N 344.436 1.557 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@H](c2ccc(O)cc2)N1 11665635 QYOKHZWYEXEWIJ-DOMZBBRYSA-N 329.356 1.021 0 40 EDAB COc1ccccc1S(=O)(=O)NC[C@@](O)(c1ccco1)C1CC1 75154944 OWKSUGJTBJVFRS-INIZCTEOSA-N 337.397 1.864 0 40 EDAB C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 30126610 IKLLRAWPPSWTDH-LLVKDONJSA-N 339.413 1.536 0 40 EDAB NC[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 50246637 GZYXFCJKSWBCST-QMMMGPOBSA-N 337.214 1.558 0 40 EDAB CN1N=C(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CCC1=O 31176220 OHNXRLJYEOFDQK-UHFFFAOYSA-N 339.399 1.877 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)n2cccc/c2=N\C(C)C)C1=O 40489466 MTEWYSFYONVGPQ-QGOAFFKASA-N 332.404 1.548 0 40 EDAB COc1ccc(Cl)cc1CS(=O)(=O)CC(=O)N1CCOCC1 40496853 IAHKECMHQHUZPY-UHFFFAOYSA-N 347.820 1.122 0 40 EDAB Cc1ccc(NCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1Cl 40477288 LFSRFYHQPWYYQJ-UHFFFAOYSA-N 345.852 1.164 0 40 EDAB CC(C)c1nc([C@H]2CCCN2Cc2cc(=O)n3nccc3[nH]2)no1 101025821 MXHWMYISXFKPTP-GFCCVEGCSA-N 328.376 1.866 0 40 EDAB CCOCCCNc1nc2nnnn2c2sc3c(c12)CCN(C)C3 20517591 MEJHFDQGQIRPNX-UHFFFAOYSA-N 347.448 1.560 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CCNC2)cc1Br 52093575 PEKABCDROHNJMI-QMMMGPOBSA-N 335.223 1.098 0 40 EDAB COc1ccc2cc(C(=O)N3CCOCC3)sc(=O)c2c1OC 347200 NVEBLKXNXPZVPS-UHFFFAOYSA-N 335.381 1.751 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)NCc2ccc(F)c(C)c2)on1 32929836 JTIHYORAWGPVRK-UHFFFAOYSA-N 340.376 1.662 0 40 EDAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCC1CC1 33171855 YRSPVQYZEQCKBS-UHFFFAOYSA-N 330.413 1.795 0 40 EDAB CC[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 22097590 KJHMZDOSFOLKMX-CQSZACIVSA-N 338.473 1.968 0 40 EDAB CN1N=C(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)CCC1=O 103133299 ROSQNSRWQSJWKG-MRXNPFEDSA-N 342.443 1.275 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cccc(S(=O)(=O)N(C)C)c1 69813842 RGFKVXWDNPKXEV-TZMCWYRMSA-N 339.461 1.023 0 40 EDAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)cc1 69950313 SYYBCXAWNJDWRM-UHFFFAOYSA-N 345.428 1.243 0 40 EDAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)C(=O)O 1467762 CNKFCEUBFWDWJK-RDDDGLTNSA-N 349.792 1.816 0 40 EDAB O[C@H](COCc1cccs1)CN1CCn2c(nnc2C2CC2)C1 78788203 NXPFSPFZWCUOCP-ZDUSSCGKSA-N 334.445 1.610 0 40 EDAB Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900267 DAMCRYBERBCCFJ-STQMWFEESA-N 344.419 1.289 0 40 EDAB COc1ccc(CNCCSc2nnnn2C)c(OC)c1OC 2334734 SETQCOHZFWGFLD-UHFFFAOYSA-N 339.421 1.118 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCCN3CCCC3=O)CC2=O)cc1 22625521 XDQGKQIEYQTNMC-OAHLLOKOSA-N 343.427 1.477 0 40 EDAB CC(C)c1ccc(-c2nnn(CC(=O)NC[C@H]3CCCO3)n2)cc1 7544385 HSLWIGJEJKVYLC-OAHLLOKOSA-N 329.404 1.759 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NCCc1ccccn1 23391104 ZBPSJKLBCXDWRR-UHFFFAOYSA-N 326.399 1.451 0 40 EDAB C[C@H](OC(=O)c1ccc(F)cc1N)C(=O)Nc1ncnc2nc[nH]c12 24877726 VHIWTUHPMKBNCH-ZETCQYMHSA-N 344.306 1.258 0 40 EDAB CCOc1cc(CN2CCn3c(CO)nnc3C2)c(C)cc1OC 57822975 QFSDWDVYBKIADG-UHFFFAOYSA-N 332.404 1.502 0 40 EDAB CCOC(=O)CN(CC(C)C)C(=O)[C@H](C)NC(=O)c1cccs1 58065661 MOOBBTYGOLQCDE-LBPRGKRZSA-N 340.445 1.914 0 40 EDAB CCn1cc(NC(=O)N(C)C[C@H](O)COCCOC(C)C)cn1 58018214 OANATPYBVOCUGT-AWEZNQCLSA-N 328.413 1.169 0 40 EDAB O[C@@H](CN1CCOCC1)Cn1c(-c2cscn2)nc2ccccc21 44894884 OCSVKUTVLJOKAB-ZDUSSCGKSA-N 344.440 1.853 0 40 EDAB Cc1cc(O[C@@H](C)C(=O)NCC(=O)O)c2c3c(c(=O)oc2c1)CCC3 2115156 UPFABIXLERMYCX-JTQLQIEISA-N 345.351 1.558 0 40 EDAB biogenic C[C@H](Cn1cccn1)NC(=O)NCc1ccnc(N2CCOCC2)c1 44954244 YWFFGDWUJDVMRP-CQSZACIVSA-N 344.419 1.003 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1Cc1cnn(-c2ccccc2)n1 44948819 PBUPDKUJSXMUAV-INIZCTEOSA-N 349.460 1.171 0 40 EDAB NC(=O)c1ccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)cc1 44920533 AXQAHXIGNCQDLN-UHFFFAOYSA-N 342.403 1.751 0 40 EDAB C[C@H](NC(=O)CCCn1cnc2ccccc2c1=O)[C@@H]1CCCO1 27885159 BZCZSMADAHOPMS-BBRMVZONSA-N 329.400 1.860 0 40 EDAB C[C@H]1CCCN(C[C@@H](C)NC(=O)c2cccc(-n3cnnn3)c2)C1 58377595 SIONNRZICYQZQH-UONOGXRCSA-N 328.420 1.513 0 40 EDAB O=C(COCc1ccccc1)NC1CCN(CC(=O)NC2CC2)CC1 58325359 UHDKMVOLHNEKPZ-UHFFFAOYSA-N 345.443 1.062 0 40 EDAB O=C(CCCc1cccs1)NCCn1nc2ccccn2c1=O 58305452 JDNJHNNSRCJUFF-UHFFFAOYSA-N 330.413 1.697 0 40 EDAB CN(c1ccccn1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 58357773 DDHLRJOXLNRKNI-UHFFFAOYSA-N 332.385 1.097 0 40 EDAB COc1cccc(CNC(=O)CN2CCC(c3ccnn3C)CC2)c1 58328932 UTRJNIZRERYUTF-UHFFFAOYSA-N 342.443 1.925 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2cccc(Cl)c2)C1 58019169 SAPWTKCKUTYFQU-GFCCVEGCSA-N 331.825 1.886 0 40 EDAB Cc1cc(C(=O)NC[C@]2(COc3ccccc3)C[C@H](O)[C@H](O)C2)no1 107430586 FHLOUJQUMMFCPI-ALXJQNPVSA-N 346.383 1.294 0 40 EDAB biogenic,in-vitro Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(-n3cnnn3)cc2)on1 11008032 CAKVNOBKDLHHBQ-JTQLQIEISA-N 342.315 1.143 0 40 EDAB CC1(C(=O)NS(=O)(=O)c2cccc(-n3cnnn3)c2)CCCC1 69579275 SFLKZFOABOZDEQ-UHFFFAOYSA-N 335.389 1.048 0 40 EDAB O=C(c1ccc(F)cc1)N1CCN(Cc2nnnn2C2CC2)CC1 29661540 AFPCDKUQPBFWTL-UHFFFAOYSA-N 330.367 1.105 0 40 EDAB O=C(O)COc1cc(OCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3 2551161 DSAVUSBSPAOMAJ-UHFFFAOYSA-N 348.307 1.599 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2cccnc2SC)c2ccccc2O1 29767207 PAYJWMITEBUWTH-CQSZACIVSA-N 343.408 1.957 0 40 EDAB CN(Cc1nc2ccsc2c(=O)[nH]1)S(=O)(=O)N1CCCCC1 12914699 OJUCCNCSHHCMFS-UHFFFAOYSA-N 342.446 1.147 0 40 EDAB CN(CCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)C1CC1 63118229 BNRMIHPCXFHPGE-INIZCTEOSA-N 329.444 1.288 0 40 EDAB CC(C)Oc1ccc(CNC(=O)N[C@@H](C)CN2CCOCC2)cn1 49230602 ICIXEPPYRRXMIT-AWEZNQCLSA-N 336.436 1.389 0 40 EDAB O=C(O)[C@H]1CCCN1C(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 4085553 DMMAZPQZHAUUOG-XUJVJEKNSA-N 332.381 1.332 0 40 EDAB biogenic Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(N(C)C)cc1 8992740 PEXWOGDEFZBXML-UHFFFAOYSA-N 338.371 1.040 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NCCOC)c1 408600607 BDVWJCXFUYGONB-ZDUSSCGKSA-N 342.461 1.838 0 40 EDAB O=C(NC1CCC(O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 49908992 DRQHXPLZKOEVSH-UHFFFAOYSA-N 333.356 1.716 0 40 EDAB O=C(NCc1ccco1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060064 CKPLKCOWWWGWOQ-NSHDSACASA-N 326.360 1.479 0 40 EDAB C[C@@H](O)CN1CCN(C[C@H](O)c2cccc(Br)c2)CC1 71877169 MVMKQWFRORQBHG-DOMZBBRYSA-N 343.265 1.481 0 40 EDAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 4480553 JFXHUMFYXXUNCT-MNOVXSKESA-N 335.747 1.029 0 40 EDAB Cc1cccc(C2(NCc3cc(=O)n(C)c(=O)n3C)CCCC2)c1 65551852 MJFYHPNPLRBSOC-UHFFFAOYSA-N 327.428 1.952 0 40 EDAB O=C(CN1CCC(CCN2CCOCC2)CC1)NCc1ccccc1 65539907 ZPIOEXHPFIDRHK-UHFFFAOYSA-N 345.487 1.737 0 40 EDAB CCNC(=O)CN(CC)C(=O)Cc1cc(=O)oc2cc(OC)ccc12 65521560 WANVGIYUOWLELL-UHFFFAOYSA-N 346.383 1.329 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(c2ncccn2)CC1 14168725 MBLXGXRONUZCTF-AWEZNQCLSA-N 343.435 1.403 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCc1cnn(-c2ccccc2)c1 71829750 AKGJMEAJOVALGE-GOEBONIOSA-N 340.427 1.917 0 40 EDAB CCCNC(=O)CN1CCN(c2ncnc3cc(Cl)ccc23)CC1 14247685 SPNLGSXTVNNFTA-UHFFFAOYSA-N 347.850 1.931 0 40 EDAB Cc1cc(=O)oc(C)c1C(=O)OCCN1C(=O)c2ccccc2C1=O 26008426 QIOWTUBMLGJZLS-UHFFFAOYSA-N 341.319 1.710 0 40 EDAB COc1ccc(NC(=O)C(=O)NCC2(N(C)C)CCCC2)c(C)c1 66206660 KHJRNNBOQOXLOF-UHFFFAOYSA-N 333.432 1.933 0 40 EDAB Cc1cccn2cc(CC(=O)NC3CCN(C(=O)C4CC4)CC3)nc12 71853334 VVJIBJXELNKEMZ-UHFFFAOYSA-N 340.427 1.702 0 40 EDAB C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)[C@@H]1CCCN(C(N)=O)C1 66712079 UGYUDEWQHXJKSB-FVQBIDKESA-N 331.416 1.766 0 40 EDAB Cc1ccc(NC(=O)N[C@@H]2CCCc3cn(CC(N)=O)nc32)cc1 96002676 RTSJSJXEOGFHCP-CQSZACIVSA-N 327.388 1.876 0 40 EDAB Cc1[nH]nc(NC(=O)Cn2ncn(C)c2=O)c1-c1cccc(Cl)c1 96004796 GFVQGFWPFWCMPK-UHFFFAOYSA-N 346.778 1.572 0 40 EDAB COc1ccc(OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 6993101 QAHVIRZXLMNQNY-UHFFFAOYSA-N 347.371 1.360 0 40 EDAB COCCN(C(=O)c1ccc(Br)cc1C)[C@H](C)C(N)=O 71879533 UONLWXBNTHOUHK-SNVBAGLBSA-N 343.221 1.720 0 40 EDAB Cc1ccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c(F)c1 67557737 IWGZXDZXKWIHPI-LLVKDONJSA-N 329.397 1.680 0 40 EDAB CCOC(=O)[C@H]1CCCN(Cc2cc(=O)n3cc(C)ccc3n2)C1 7436372 BSRBMWVVORDQQY-AWEZNQCLSA-N 329.400 1.778 0 40 EDAB C[C@H]1CN(C2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)CCO1 68095674 PQSALEVUDCDXFR-LBPRGKRZSA-N 329.404 1.283 0 40 EDAB CCCCn1c(N)c(N(C)C(=O)/C=C/c2cccs2)c(=O)[nH]c1=O 7799653 CERKLXFIWBZJGC-BQYQJAHWSA-N 348.428 1.657 0 40 EDAB COC(=O)c1cccc(OS(=O)(=O)c2ccc(C(N)=O)cc2)c1 16727984 JICPNGJIDHVYPJ-UHFFFAOYSA-N 335.337 1.340 0 40 EDAB CC(C)OC(=O)COC(=O)CCNC(=O)N1CCc2ccccc2C1 70018856 FNEDTQVKJHXYMR-UHFFFAOYSA-N 348.399 1.639 0 40 EDAB CCOC(=O)C1(O)CCN(c2cnc3cc(F)c(F)cc3n2)CC1 71920564 UWFNZGURUPZBBY-UHFFFAOYSA-N 337.326 1.802 0 40 EDAB Cn1ccnc1CCNC(=O)[C@@H](c1ccccc1)N1CCSCC1 69348843 WMLLDDUGOUOBAU-QGZVFWFLSA-N 344.484 1.869 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)CCC(=O)N2CCOCC2)c1 8378000 FNTXSVVPTICPFR-UHFFFAOYSA-N 334.372 1.359 0 40 EDAB CCc1noc([C@H](C)N2CCN(CC(=O)Nc3ccncc3)CC2)n1 69452943 ZWXGEIXOZLWXGE-ZDUSSCGKSA-N 344.419 1.344 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)cn1 69437832 ONDKPNQRIXPWQF-CQSZACIVSA-N 327.388 1.423 0 40 EDAB O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)N1CCS(=O)(=O)CC1 96415570 COOWRMOJNHICEV-HOTGVXAUSA-N 336.457 1.838 0 40 EDAB O=C(CNC(=O)c1c(F)cccc1Cl)Nc1nnc2ccccn12 69535958 ZEQJYQSPUUBQFM-UHFFFAOYSA-N 347.737 1.890 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2C[C@H](O)CN2CCC(C)CC2)n1 69529293 SBEPHVHEECAHFG-QZTJIDSGSA-N 335.496 1.452 0 40 EDAB CC(=O)c1cccc(OCCCC(=O)NCCCn2cncn2)c1 69591694 WIWQOXFCIPRFKJ-UHFFFAOYSA-N 330.388 1.846 0 40 EDAB CCn1cc(S(=O)(=O)N(C)C2CCN(c3ccccn3)CC2)cn1 69631744 CZIOKMKCUKNZBF-UHFFFAOYSA-N 349.460 1.588 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@H](O)COCc1ccco1)CC2 65565488 FZPWUTFFWBIESZ-ZDUSSCGKSA-N 332.404 1.071 0 40 EDAB CCN1CCN(CC(=O)N[C@@](C)(CC)c2ccccc2)C(=O)C1=O 69737516 VWWKYQMPBUPPSF-SFHVURJKSA-N 331.416 1.119 0 40 EDAB CCCCS(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 84746773 LVVOFJITPRNMSI-NSHDSACASA-N 341.433 1.692 0 40 EDAB CC[C@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@H]1N1CCOCC1 84736101 XEXAYKLOUAHDSJ-SUMWQHHRSA-N 343.431 1.151 0 40 EDAB CCC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 84740164 IXJYPZGTIHITIZ-NSHDSACASA-N 331.438 1.200 0 40 EDAB CC(C)OCCS(=O)(=O)N[C@H]1CCCn2nc(C(C)C)nc21 97014017 HOBQEZKKQAQKMJ-LBPRGKRZSA-N 330.454 1.581 0 40 EDAB O=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1cnc2ccccc2n1 72275315 ZAPPTGKAYWBYSG-UHFFFAOYSA-N 333.307 1.412 0 40 EDAB C[C@H]1[C@@H](C)N(C)CCN1C(=O)Nc1ccccc1SCC(N)=O 95467048 TZSGVNRPYMKGBE-NEPJUHHUSA-N 336.461 1.820 0 40 EDAB Cc1ccc(C(=O)NCCOc2ccc(C(F)(F)F)cn2)c(=O)[nH]1 95415633 NBCMHRBFUMKSEK-UHFFFAOYSA-N 341.289 1.906 0 40 EDAB CC(C)N(CCCNC(=O)c1cc2ccccn2c1)S(C)(=O)=O 95959713 AUJIULWPGWXILP-UHFFFAOYSA-N 337.445 1.729 0 40 EDAB CCn1ccnc(N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c1=O 95990008 ZSFOMMPGNFPABW-MRXNPFEDSA-N 340.427 1.909 0 40 EDAB Cn1c(=O)oc2ccc(NCCN3C(=O)c4ccccc4C3=O)cc21 95943132 VVSYPLYBHGFRSC-UHFFFAOYSA-N 337.335 1.840 0 40 EDAB O=C(Cn1nccn1)/N=c1/[nH]nc(-c2ccc(Cl)cc2Cl)[nH]1 95964192 FHBXMYDQIFENEB-UHFFFAOYSA-N 338.158 1.431 0 40 EDAB COC(=O)c1ccc(NC2CCN(C(=O)c3ccco3)CC2)nn1 75119423 QXEUGRWJKHMDMQ-UHFFFAOYSA-N 330.344 1.573 0 40 EDAB O=C(CNC(=O)c1cc2ccccc2[nH]1)NCc1nncn1C1CC1 89872987 HRRRZTGIUOYUOY-UHFFFAOYSA-N 338.371 1.141 0 40 EDAB CNC(=O)CCN(C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 89894194 FDWMBEJCTOWJFZ-HNNXBMFYSA-N 331.460 1.882 0 40 EDAB CC1(C)CN(C(=O)Nc2ccc(-n3ccnn3)cc2)CC[S@]1=O 89919627 UXQNLMPUWXWCGX-QHCPKHFHSA-N 333.417 1.642 0 40 EDAB CCC[C@@](C)(O)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 76019204 PAIRMTBWNNYRQZ-KPZWWZAWSA-N 348.399 1.436 0 40 EDAB CN1C(=O)N[C@](C)([C@H]2CCCN(Cc3nc4ccccc4o3)C2)C1=O 76058972 QXYGNYBNVLKSJN-KPZWWZAWSA-N 342.399 1.980 0 40 EDAB CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 408551834 JGFBLUHLAGLSTB-CYBMUJFWSA-N 342.461 1.977 0 40 EDAB Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)NCc1ccccc1Cl 23142003 ANZKEZLWZGJNHP-UHFFFAOYSA-N 335.791 1.284 0 40 EDAB O=C(c1ccnnc1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1 306131525 KHSLDENYLZFDFH-CQSZACIVSA-N 349.398 1.452 0 40 EDAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CN1CCOCC1 32251876 YZRQMPQBKRVBBJ-FUHWJXTLSA-N 329.444 1.462 0 40 EDAB CC(C)Oc1ccc(NS(=O)(=O)c2cnc(O)[nH]c2=O)cc1 33330682 ZDJUMNFARDYZRF-UHFFFAOYSA-N 325.346 1.064 0 40 EDAB CCC(C)(C)OCC(=O)N1CC[C@@H](Nc2ccc3nc(C)cn3n2)C1 556715557 WNSSBEWTZNYAMT-CQSZACIVSA-N 345.447 2.256 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](CC(=O)O)C2)c2c(C)nn(C)c2n1 532875052 GSLHJGFWOJANLD-GFCCVEGCSA-N 330.388 1.912 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CCC(=O)N1Cc1ccco1 72239551 YCBXZPXJXDTUGI-HNNXBMFYSA-N 330.388 1.437 0 40 EDAB O=C(CCCN1C(=O)CNC1=O)N[C@H]1CCCCc2ccccc21 79335684 DTOCPFVYQXLWHV-HNNXBMFYSA-N 329.400 1.902 0 40 EDAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cnn(C)c1 79189329 OZOYSSXBZCUWEY-CZUORRHYSA-N 340.335 1.983 0 40 EDAB biogenic O=C(O)c1coc(S(=O)(=O)NCCc2ccc3c(c2)CCO3)c1 564919463 MNBSIDYOJGSWHG-UHFFFAOYSA-N 337.353 1.434 0 40 EDAB NC(=O)c1nnn(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)n1 70999166 JFCGINSUULGYBI-UHFFFAOYSA-N 340.318 1.082 0 40 EDAB O=C(O)COc1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)c1 567592353 WGDGXXFCRZVMAN-CABCVRRESA-N 335.356 1.170 0 40 EDAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccccc1 218012941 JBTQCEBIQQKOKJ-XEZPLFJOSA-N 340.445 1.419 0 40 EDAB CC(C)COC(=O)N1CCN(c2ccnc(C(=O)N(C)C)c2)CC1 78879580 ODFAAOBDNFJSBE-UHFFFAOYSA-N 334.420 1.698 0 40 EDAB COc1ccc2[nH]cc(NC(=O)N3CC[C@@H](O)[C@@H](C)C3)c(=O)c2n1 72347429 PRSKVOIDLMXGFV-JOYOIKCWSA-N 332.360 1.166 0 40 EDAB Cn1c(N2CCC[C@H](C(=O)Nc3nc[nH]n3)C2)nc2ccccc21 72324286 ILTVPPFQNQRTAE-NSHDSACASA-N 325.376 1.547 0 40 EDAB Cc1ccc([C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)nc1 72363988 VTBRYDNSVOBFBU-AWEZNQCLSA-N 325.434 1.146 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)C1CCN(C(N)=O)CC1 49941357 OTSNJILEMNVRHY-CYBMUJFWSA-N 333.388 1.076 0 40 EDAB C[C@@H]1Oc2ccccc2CN(c2ccc(S(N)(=O)=O)cc2)C1=O 85470772 KNASUDDMYXLHEJ-NSHDSACASA-N 332.381 1.648 0 40 EDAB Cc1cc(C(=O)OC[C@H]2CC(=O)N(CCc3ccccc3)C2)nn1C 80426643 XYWRSJYNIMKYIB-INIZCTEOSA-N 341.411 1.977 0 40 EDAB COc1ccc(CN(C(C)=O)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 222973720 MDVJHUHLMOYNTC-CXAGYDPISA-N 334.416 1.727 0 40 EDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2)s1 224797676 SXHZXXUVGSCOGZ-UHFFFAOYSA-N 340.430 1.611 0 40 EDAB COCC1(NS(=O)(=O)c2c(C)csc2C(=O)O)CCCC1 573339707 VEBACUAVQBDPCH-UHFFFAOYSA-N 333.431 1.992 0 40 EDAB Cc1cc(CNC(=O)CCc2ccccc2)nc(N2CCOCC2)n1 224226208 RRSMDYAASGZAHW-UHFFFAOYSA-N 340.427 1.871 0 40 EDAB Cn1nnc2cc(C(=O)OCc3cnc(-c4ccco4)o3)cnc21 225580551 MGBGNXGVEILZLM-UHFFFAOYSA-N 325.284 1.968 0 40 EDAB CCOC(=O)c1c(O)c2ncc(Br)cc2n(C)c1=O 144004418 WKMWWRMTFMDJEE-UHFFFAOYSA-N 327.134 1.578 0 40 EDAB CN(Cc1cccnc1)[C@@H]1CN(Cc2cnn(C)c2)[C@@H]2CCCO[C@H]12 96185999 CHSZANYUCGSZSA-QRVBRYPASA-N 341.459 1.679 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[C@H](N(C)C)C1 96502207 JINIYLQHTJDYGP-CABCVRRESA-N 342.509 1.917 0 40 EDAB Cc1cc(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)no1 96445160 WROARAXXPUMAQS-UHFFFAOYSA-N 342.399 1.552 0 40 EDAB CN(C)S(=O)(=O)CC(=O)N1CCCC[C@H]1CCc1ccccc1 96502422 LTGIMZRBJHRVJO-INIZCTEOSA-N 338.473 1.892 0 40 EDAB O=C(c1ccc[nH]1)N1Cc2nccn2C[C@H](COc2cccnc2)C1 96187973 RABNSOPXUXAKLT-AWEZNQCLSA-N 337.383 1.957 0 40 EDAB Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2ccnnc2)cs1 96184038 LSTICHNVIRRXOD-KGLIPLIRSA-N 343.412 1.257 0 40 EDAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]23)n1 96207716 ZKHPRYFVGPNLHS-ZACQAIPSSA-N 340.427 1.762 0 40 EDAB O=C(NCc1cn2c(n1)CN(CC1CCOCC1)CC2)C1CCC1 96059473 ZBBIKBMBQJDWTL-UHFFFAOYSA-N 332.448 1.542 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC=C(c2cccnc2)C1 583651759 SBFBATUEVKFHPX-UHFFFAOYSA-N 332.429 1.910 0 40 EDAB O=C([C@H]1COC[C@H]2CN(Cc3ccncc3)C[C@H]21)N1CCCCO1 96040786 YGDBDBAUFDAUJF-ZACQAIPSSA-N 331.416 1.330 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2OC[C@H](CC(=O)NCC3CC3)[C@H]2C1 96209649 JOMZTYIZCQBWCI-USXIJHARSA-N 333.432 1.655 0 40 EDAB CCOc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)c1 585122057 LUEDMRMGJMQDHM-HOCLYGCPSA-N 342.399 1.131 0 40 EDAB O=S1(=O)CCC[C@@H]1CN1CCN(c2ccnc(C3CC3)n2)CC1 585132580 AOQPWVUVIYWMCX-CQSZACIVSA-N 336.461 1.053 0 40 EDAB COCCN1CC2(CCN(C(=O)c3ccncn3)CC2)C[C@@H]1COC 96220101 WZLLUJACTDSLCH-OAHLLOKOSA-N 348.447 1.066 0 40 EDAB CCc1oc(C(=O)NC[C@@H]2CCO[C@H]2c2cnn(C)c2)cc1C(=O)O 585139518 LEWPTIGIFFINRR-ZUZCIYMTSA-N 347.371 1.781 0 40 EDAB CCS(=O)(CC)=NS(=O)(=O)N[C@@H](C)Cc1c(C)noc1C 585114977 HQLMUXVJYOCIIB-VIFPVBQESA-N 337.467 1.565 0 40 EDAB COC(=O)N[C@H](CC(C)C)C(=O)Nc1c[nH]nc1Br 585130258 LOENOIHPWZWLOB-SSDOTTSWSA-N 333.186 1.881 0 40 EDAB CCO[C@@H](C)C(=O)NCCc1ccnc(NC(=O)[C@@H](C)OCC)c1 585131322 RNXATUPODASOFP-QWHCGFSZSA-N 337.420 1.529 0 40 EDAB Cn1nccc1C(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccs3)C[C@@H]21 248010469 DRSXUXDPCOCTEW-XNRPHZJLSA-N 346.456 1.358 0 40 EDAB O=C(c1ncccn1)N1CC2(C1)OCC[C@H]2COc1ncccc1F 247842018 FTLYXGQOZXXXRS-LBPRGKRZSA-N 344.346 1.321 0 40 EDAB CNCc1nc(C)c2c(n1)N(Cc1cccc(OC)c1)C(=O)CC2 257245889 IRNKKHSPCMEFPQ-UHFFFAOYSA-N 326.400 1.992 0 40 EDAB O=C(CCCN1C(=O)CCC1=O)N1CCC2(CC=CCOC2)CC1 257264371 LUBWFAFQSZEHFJ-UHFFFAOYSA-N 334.416 1.501 0 40 EDAB O=C(COc1cccc(F)c1)N1CCOC[C@H](Cc2ccncn2)C1 257217476 CZCXEHGFBJKKJA-CQSZACIVSA-N 345.374 1.712 0 40 EDAB CC(C)n1cnc(C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)c1 252523209 CBIZKPODYHJJHY-XLKBLLMESA-N 327.428 1.703 0 40 EDAB CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H]3CN(C)CC[C@H]32)n1 252507534 WNZKVBLEYXKPKR-ZIAGYGMSSA-N 349.483 1.017 0 40 EDAB CC1=C(Br)CN([C@@H](C)C(=O)NC(=O)NC2CC2)CC1 281287641 WLBCAJHAVYJVJT-VIFPVBQESA-N 330.226 1.738 0 40 EDAB Cc1ccc2c(CC(=O)NCCn3cccnc3=O)coc2c1C 1615615412 QQUFXIYYHFSORI-UHFFFAOYSA-N 325.368 1.965 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCN(c3nccn4cnnc34)C2)c(C)o1 575414418 FKGPIRZWBIHYBX-GFCCVEGCSA-N 326.360 1.343 0 40 EDAB COC(=O)c1cc(=O)n(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)cn1 585140768 KVFRGNFRRJEFJO-GXTWGEPZSA-N 333.388 1.211 0 40 EDAB CN(C)C(=O)CO[C@@H]1CCC[C@@H]2CN(C(=O)c3ccnc(F)c3)C[C@@H]21 585107867 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EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1cccc(-c2n[nH]c(C)n2)c1 81560322 GQXOPZQSBDIWOB-CQSZACIVSA-N 329.404 1.671 0 40 EDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)C1=O 97372977 UGSXMSLBJVFLFY-AWEZNQCLSA-N 438.484 2.456 0 40 EDAB c1cc2nnnn2nc1N1CCC[C@H](c2nnc3n2CCCCC3)C1 11085217 UTTAIJKLHYSRFR-LBPRGKRZSA-N 339.407 1.221 0 40 EDAB Cc1nn(CC(=O)NC2CCCCC2)c(=O)c2cc3occc3n12 12115422 FUSOHABURLXHNK-UHFFFAOYSA-N 328.372 2.000 0 40 EDAB COc1cccc(CN2CCN(C(=O)Cn3ccnc3)[C@@H](C)C2)c1 19575602 VUMFHXUOABZVQJ-HNNXBMFYSA-N 328.416 1.625 0 40 EDAB CN1C[C@@H](c2cc(=O)[nH]c(NCc3ccc(Cl)cc3)n2)CC1=O 19587506 LJFXOTYZZADMIF-NSHDSACASA-N 332.791 1.981 0 40 EDAB CN1C=CC([N+](=O)[O-])=C(c2nc(-c3ccc4c(c3)OCO4)no2)N1 35316217 LOBIRCIBRVLDJN-UHFFFAOYSA-N 329.272 1.374 0 40 EDAB Cc1nn(CC(=O)N2CCCC[C@@H]2C)c(=O)c2cc3occc3n12 6807315 GTRYJUZHVRCWJJ-NSHDSACASA-N 328.372 1.952 0 40 EDAB Cc1cc(O)nc(N2CCC(NC(=O)c3c(C)nn(C)c3C)CC2)n1 238859258 KJBQBACSMLHILF-UHFFFAOYSA-N 344.419 1.240 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)Cc2c[nH]c3ccccc23)C[C@@H](C)O1 6384261 ZJKJUQDRNKZYFT-BETUJISGSA-N 330.384 1.889 0 40 EDAB O=C(OCC(=O)N1CCCCCCC1)c1n[nH]c(=O)c2ccccc12 7028167 NNLZLQWUMRVJJA-UHFFFAOYSA-N 343.383 1.873 0 40 EDAB Cn1cnc2c(N3CCN(c4ncc(Cl)cn4)CC3)ncnc21 1888888324 JUUSJGFWZYVZQT-UHFFFAOYSA-N 330.783 1.133 0 40 EDAB Cc1cnn(CC2CN(c3ccc4nnc(C(F)(F)F)n4n3)C2)c1 1889133871 SLDMPPABMJOLHH-UHFFFAOYSA-N 337.309 1.784 0 40 EDAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)c1ccc[n+]([O-])c1 238874523 NSEXTVKWXLPUON-UHFFFAOYSA-N 327.300 1.165 0 40 EDAB COCC(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 2037838702 XBXQVNUXTPDNAX-UHFFFAOYSA-N 336.363 1.197 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1 253401931 NTEFBBAFSYAMJT-UHFFFAOYSA-N 345.355 1.228 0 40 EDAB CC(C)N1CCO[C@H]2CN(C(=O)c3cc(F)ncc3F)CC[C@H]2C1 1565548298 XHFVIZIIAUNEKW-WFASDCNBSA-N 339.386 1.931 0 40 EDAB O=C(NCc1n[nH]c(=O)c2ccccc12)Nc1ccc2c(c1)OCO2 4317507 ZWQYATSWIIEHJD-UHFFFAOYSA-N 338.323 1.974 0 40 EDAB O=C(C[C@H](NCCO)C(=O)O)Nc1ccc(Nc2ccccc2)cc1 5257977 QVPRPUUVRDGADU-INIZCTEOSA-N 343.383 1.794 0 40 EDAB O=C(N[C@H]1CCC12CCN(C(=O)[C@H]1CCOC1)CC2)c1cnccn1 2055803587 MRUCVWJVKMDTLY-ZFWWWQNUSA-N 344.415 1.014 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncccn3)C2)cc1C 575609983 DOZBVPWPSMWSGR-CQSZACIVSA-N 333.413 1.935 0 40 EDAB CSCC[C@@](C)(O)CNS(=O)(=O)c1c(F)cccc1F 75157559 PXLSBDDPQOOBDF-GFCCVEGCSA-N 325.402 1.747 0 40 EDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCCCn1cccn1 30169806 MJXCVQYTTYKXDV-CQSZACIVSA-N 334.445 1.906 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NCc1nnc2n1CCCCC2 40490065 CWJFFWBPCUVHKQ-UHFFFAOYSA-N 338.408 1.931 0 40 EDAB NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1ccc(C(=O)O)cc1 40490168 RDZXBEXMLHWVKZ-OAHLLOKOSA-N 325.324 1.119 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CCO1 50856377 ITQWKJHRENACNN-AWEZNQCLSA-N 342.420 1.840 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCO[C@H]3CCCC[C@H]32)c2ccccc21 40553870 YROWVEKJXBXCPW-CVEARBPZSA-N 329.400 1.510 0 40 EDAB CCCCCNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 20567833 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0 40 EDAB COC(=O)C[C@@H]1CN(c2cc(C)c(Br)cn2)CCO1 97022104 QGBMENAEPFHWAQ-SNVBAGLBSA-N 329.194 1.921 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)CCn1c(=O)n(C)c2ccccc21 24804422 AQXFTPJMBGMCFW-CYBMUJFWSA-N 327.388 1.132 0 40 EDAB C[C@H]1CN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)[C@@H](C)CO1 106654988 LEJNLVDPLSGCDL-STQMWFEESA-N 339.399 1.718 0 40 EDAB CC[C@H]1CCCCN1C(=O)CN(C)CC1CCN(C[C@H](C)O)CC1 106781217 LOJFWGYZHALMSJ-WMZOPIPTSA-N 339.524 1.802 0 40 EDAB O=C(NC[C@H](NC(=O)[C@H]1CCOC1)C1CCCCC1)[C@H]1CCOC1 106797316 YCASUSKHTXTWET-JYJNAYRXSA-N 338.448 1.241 0 40 EDAB COC(=O)C1(NC(=O)CCn2c(=O)oc3ccccc32)CCCCC1 25174121 XQCXZJJCYQOZJP-UHFFFAOYSA-N 346.383 1.977 0 40 EDAB O=C(CNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(-n2cncn2)cc1 106835662 QIMYUHJBZJYCAB-XEZPLFJOSA-N 339.399 1.758 0 40 EDAB CCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CCOC)C3)cc1 9317323 XMKXKUYKHCJLOR-OAHLLOKOSA-N 331.372 1.182 0 40 EDAB CCn1nc(C)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1C 27983113 BGMVGFDTHVOOAF-UHFFFAOYSA-N 336.417 1.097 0 40 EDAB CCCn1nnnc1COC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 26426652 FFAPIYMNUOYJCD-NSHDSACASA-N 333.323 1.391 0 40 EDAB CC(=O)c1cccc(NC(=O)CN2CCN(c3ncccn3)CC2)c1 57364066 ZLJBZPDNRKJPKE-UHFFFAOYSA-N 339.399 1.440 0 40 EDAB Cc1ccccc1-n1c(SCCCO)nnc1N1CCOCC1 26610648 DJFUBMOBABEWFK-UHFFFAOYSA-N 334.445 1.887 0 40 EDAB C[C@@H](c1ccccc1Cl)N1CCN(C(=O)Cn2cncn2)CC1 44705073 LLDVWKADXALENE-ZDUSSCGKSA-N 333.823 1.837 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)OCc1cc(=O)n2ccccc2n1 10199278 FDSFPQUIXQNWTD-UHFFFAOYSA-N 340.383 1.721 0 40 EDAB COc1ccc(OC)c(CNC(=O)c2cnc3n(c2=O)CCS3)c1 27503283 JYVYNRHIKPNNGV-UHFFFAOYSA-N 347.396 1.296 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCN(c2nccs2)CC1)c1ccco1 44895067 PDOJUEXJLXLVAG-ZDUSSCGKSA-N 349.460 1.871 0 40 EDAB CCNC(=O)COc1ccc(NC(=O)c2ccc(C(N)=O)s2)cc1 58244764 MFFIQDWYVYATIL-UHFFFAOYSA-N 347.396 1.614 0 40 EDAB CCOc1c(Cl)cc(C(=O)N[C@H]2CCCNC2=O)cc1OC 58209263 ASJPWFHINASDTJ-NSHDSACASA-N 326.780 1.756 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)C[C@@H](C)O1 44966038 IZLOLWHGOOTBOZ-JHJVBQTASA-N 338.839 1.982 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N(C2CC2)[C@@H]2CC(O)=NC2=O)cc1 58366181 KIMBTTMVEBQWMD-CEOUIICOSA-N 341.367 1.306 0 40 EDAB CS(=O)(=O)c1nc(C(=O)NCC[C@H]2CCCO2)c2ccccn12 58364073 FUWQTIIHYMIOIK-LLVKDONJSA-N 337.401 1.037 0 40 EDAB CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCSCC2)cc1 58343375 UASLJVQANJMZOJ-UHFFFAOYSA-N 349.499 1.608 0 40 EDAB COc1ccccc1C(=O)N1CCN(Cn2cc(Cl)cn2)CC1 58344188 YJMMWWJSWLDMQJ-UHFFFAOYSA-N 334.807 1.961 0 40 EDAB Cc1ccccc1C1(CNC(=O)c2ccc(S(N)(=O)=O)o2)CC1 58406454 MZAOTDNQCKJUDM-UHFFFAOYSA-N 334.397 1.697 0 40 EDAB COCCN(C)C[C@@H]1CCCN1C(=O)NCc1ccccc1OC 58431375 QDAYNAZCPYAPLV-INIZCTEOSA-N 335.448 1.947 0 40 EDAB C[C@@H]1CO[C@@H](CO)CN1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F 108500048 VZFPHGWHUFCLRH-MRVWCRGKSA-N 346.349 1.951 0 40 EDAB Cn1cc(CN2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cn1 107730847 NDRBTEQPMOEPAY-WBVHZDCISA-N 328.420 1.446 0 40 EDAB COc1ccccc1N1CCN(C(=O)NC2CCC(O)CC2)CC1 45548312 IBSMLPGXDFUPPH-UHFFFAOYSA-N 333.432 1.830 0 40 EDAB C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)[C@H]1CCCO1 36758213 JMYPGTGHYTWRQG-IAQYHMDHSA-N 338.429 1.306 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N(C)C[C@H]1COc2ccccc2O1 46462750 DRSGSIYZRVHBIL-KBPBESRZSA-N 330.388 1.753 0 40 EDAB CN(C(=O)NCCc1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 48325741 HXHLPQFTGVCQTB-OAHLLOKOSA-N 347.440 1.606 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc21 24997337 JGVQTCJCTKCKIN-UHFFFAOYSA-N 330.384 1.575 0 40 EDAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(C)s2)n1 8868641 SRVHYACJDNWTCS-UHFFFAOYSA-N 347.809 1.336 0 40 EDAB O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)NCc2ccco2)c2ccccc21 4045114 MQMMDOTWWLDUGO-WMLDXEAASA-N 340.335 1.756 0 40 EDAB biogenic CCC[C@H](NC(=O)CSc1nc(N)nc(N)n1)c1ccccc1 5148749 DKLGEIOUNMKFOZ-NSHDSACASA-N 332.433 1.786 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1cccs1)C2=O 4308809 RGGVNGYPHUJQHN-BZNIZROVSA-N 335.429 1.865 0 40 EDAB CC(C)(C)N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1=O 65489510 XYTUTCNZYARYNR-QMMMGPOBSA-N 345.321 1.979 0 40 EDAB COc1cc(OC)c2c(C)c(CC(=O)N3CCOCC3)c(=O)oc2c1 4540651 SCISDMXABVPWSS-UHFFFAOYSA-N 347.367 1.520 0 40 EDAB biogenic Cc1csc(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)n1 24173510 GQNZEYFCMXIMOM-UHFFFAOYSA-N 334.357 1.738 0 40 EDAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)O)CC1 6645408 ABGIJKGAEWEICX-LBPRGKRZSA-N 328.409 1.859 0 40 EDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(F)c(F)c1 5628611 SXRXSLBUUCTBKV-UHFFFAOYSA-N 336.294 1.881 0 40 EDAB CCOC(=O)c1ccc(NC(C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 4806753 SXJILWSEQXMUTJ-UHFFFAOYSA-N 345.355 1.600 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 6822648 OVHJEBUHCGHBLA-LBPRGKRZSA-N 345.424 1.917 0 40 EDAB O=C(NCCn1ccnn1)NCc1csc(-c2ccccc2)n1 96007872 TXYSQVINOFXJOB-UHFFFAOYSA-N 328.401 1.901 0 40 EDAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3cc(C)on3)ccc21 7299571 HRPFGTJCDCDJHZ-SNVBAGLBSA-N 343.343 1.932 0 40 EDAB CCCn1c(SCc2cc(=O)n3c(C)cccc3n2)n[nH]c1=O 7293438 ASULTXAJJBHYJD-UHFFFAOYSA-N 331.401 1.590 0 40 EDAB COCCCn1c(SCc2c(C)nn(C)c2Cl)n[nH]c1=O 68044192 MOTBCJMBENHZAO-UHFFFAOYSA-N 331.829 1.596 0 40 EDAB Cn1cc(CCNC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)cn1 96477066 UAYFXTILWCKUNC-GFCCVEGCSA-N 334.342 1.307 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@]2(C1)C(=O)Nc1ccccc12 91302879 QLRMTNDTOAFSSX-APPDUMDISA-N 332.356 1.828 0 40 EDAB in-vitro O=C(CNC(=O)c1ccc(Br)cc1)NCc1ccccn1 8289880 YZDPRVMUGRJKRI-UHFFFAOYSA-N 348.200 1.890 0 40 EDAB CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 69462556 WPCAVHDNRMENAJ-INIZCTEOSA-N 329.444 1.951 0 40 EDAB CC(C)CCS(=O)(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 69597314 WSLOGLTZOQXMGO-INIZCTEOSA-N 331.526 1.464 0 40 EDAB COc1ccc(CNC(=O)NCc2c(C)c(C)n[nH]c2=O)cc1OC 69621623 ZJZHKMXANGRQSG-UHFFFAOYSA-N 346.387 1.403 0 40 EDAB O=C1NC[C@@H]2CN(Cc3ccccc3OCc3ccccn3)CCN12 91864609 NFOCYYICEGMNFB-QGZVFWFLSA-N 338.411 1.870 0 40 EDAB CCN(C(=O)CSCC(N)=O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 71832918 MAYKNQHNCOHKLY-GOEBONIOSA-N 349.500 1.889 0 40 EDAB Cc1cccn2cc(CNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)nc12 71893398 BNVRTPBFJPHGMZ-SUMWQHHRSA-N 344.440 1.713 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c1 71865863 YDZQLBRJIFBMRS-SJORKVTESA-N 344.459 1.831 0 40 EDAB C[C@H]1CN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)[C@H](C)CO1 69843432 GVUGWMVLSTZNAZ-NEPJUHHUSA-N 330.388 1.319 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)NCc2cccc(OC)c2)C[C@@H]1C 69950691 LBYNKGFERFVPIL-HOTGVXAUSA-N 349.475 1.352 0 40 EDAB CNS(=O)(=O)CCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 69973491 SOVSIFSFFVIRBA-UHFFFAOYSA-N 349.836 1.980 0 40 EDAB COc1ccc(CCC(=O)N2CCN(C[C@H](C)O)CC2)cc1Cl 69979053 SCHDCOLBSLGVEU-ZDUSSCGKSA-N 340.851 1.806 0 40 EDAB Cc1cc([C@H]2CCCN(C(=O)[C@H](C)S(=O)(=O)C(C)C)C2)n[nH]1 84110123 XISRINGRZKYKTN-STQMWFEESA-N 327.450 1.636 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccnc(N(C)C)c3)C2)n1 72235454 UZOGNAOGICIUPN-OAHLLOKOSA-N 328.420 1.833 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)c3ccc4c(c3)nnn4C)C2)no1 72271755 GRSPPRAOMTZOLH-LBPRGKRZSA-N 340.387 1.934 0 40 EDAB C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)NCc2ccccn2)CC1 72274172 KQNKEBZMJAGOGP-IAGOWNOFSA-N 345.491 1.782 0 40 EDAB O=C(NC1CCC(O)CC1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 95349371 UUVYNICWTYIPFV-HJOIGYKYSA-N 342.439 1.948 0 40 EDAB CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)C1C2CC3CC(C2)CC1C3 95349827 DQTFNSMLIHNQGD-CGAUPDFVSA-N 340.489 1.694 0 40 EDAB COc1ccccc1NC(=O)CCN1CCC[C@H](N2CCNC2=O)C1 95350156 BJUHLCHWHMWHBK-AWEZNQCLSA-N 346.431 1.513 0 40 EDAB CCOC(=O)c1ccc(N2CCN(C(=O)C3CC(C)C3)CC2)nc1 84741599 UJPRFZNVWBWQNR-UHFFFAOYSA-N 331.416 1.953 0 40 EDAB Cc1ccc(Oc2ccc(NC(=O)C[C@@H]3NC(=O)NC3=O)cn2)cc1 95441938 ONNRCEZROYDDLI-ZDUSSCGKSA-N 340.339 1.719 0 40 EDAB CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)CCC1 95418272 HVNGKBADJVNZOJ-ZWKOTPCHSA-N 343.471 1.583 0 40 EDAB CCO[C@H]1C[C@H](O)C12CCN(c1nnnn1-c1ccccc1)CC2 95400777 RGMNKVDSGPJTRL-GJZGRUSLSA-N 329.404 1.419 0 40 EDAB CN(C)c1ncc(CNC(=O)CC2(N3CCOCC3)CCCC2)n1C 73618551 KNZXNCAZUQPGSM-UHFFFAOYSA-N 349.479 1.137 0 40 EDAB CC(=O)N[C@@H]1CCCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 95952526 QXMDIAXYBKNMEJ-SJORKVTESA-N 333.407 1.746 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)NCCCOCc2ccco2)[C@@H]1OC 95942771 JHOUZTPOZAIGNG-ZNMIVQPWSA-N 326.393 1.678 0 40 EDAB O=C(N[C@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 89830078 QDVLWETWOFKRPW-NWDGAFQWSA-N 335.347 1.711 0 40 EDAB Cn1cnnc1S(=O)(=O)[C@H](C(=O)N1CCCCC1)c1ccccc1 75584501 FRLZPUKBHLPLEK-AWEZNQCLSA-N 348.428 1.343 0 40 EDAB C[S@](=O)C[C@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1ccccc1 76093818 ARIVCXOOQNZLIV-UPCLLVRISA-N 344.436 1.713 0 40 EDAB Cc1noc(C)c1Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2 1547201302 YHTNHTNOWSBUOX-UHFFFAOYSA-N 325.328 1.686 0 40 EDAB Cc1nc2ccc(O)cc2cc1C(=O)NC[C@@]1(CCO)CCOC1 1548669924 ZFPUIIZHWSXCHK-GOSISDBHSA-N 330.384 1.768 0 40 EDAB CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2OCC(N)=O)c1 23003521 GBHNHWZPBQGMDV-UHFFFAOYSA-N 345.330 1.901 0 40 EDAB CCCCc1ccc(N2C[C@@H](C(=O)NCCNC(C)=O)CC2=O)cc1 65401527 QHZWYNXXNNSZKO-INIZCTEOSA-N 345.443 1.634 0 40 EDAB Cc1cc(O)nc(-n2nc(C)cc2NC(=O)c2snnc2C)n1 35588035 INXAIZCGEFTCDH-UHFFFAOYSA-N 331.361 1.397 0 40 EDAB O=C(NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)c1ccccn1 514674846 HVKKTNYJNIDZKB-KSSFIOAISA-N 336.395 1.959 0 40 EDAB O=C(Cc1noc2ccc(F)cc12)N1CCN(C[C@H]2CCOC2)CC1 514924049 SEDNZEWQNYYVMS-CYBMUJFWSA-N 347.390 1.690 0 40 EDAB Cc1n[nH]c2c1[C@H](c1ccc(O)c(Cl)c1)c1c([nH]c(=O)[nH]c1=O)N2 36353185 OEZMLOAHGPIUQN-JTQLQIEISA-N 345.746 1.691 0 40 EDAB Cc1cc(C)n2nc(-c3nn4c(C(F)(F)F)nnc4s3)nc2n1 61719460 AFCWADCCXOCZIG-UHFFFAOYSA-N 340.294 1.926 0 40 EDAB COc1ccc([C@@H](CNc2nc(C(=O)O)co2)N(C)C)cc1OC 565037842 HOHCFFSRVGQOPW-GFCCVEGCSA-N 335.360 2.105 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 217561500 XUXFJLBUXXRALP-LLVKDONJSA-N 342.417 1.298 0 40 EDAB COCCn1cc(C(=O)NCc2ccc(F)cc2)c2n[nH]c(=O)c-2c1 36705877 VLLIMXJSWRHNLV-UHFFFAOYSA-N 344.346 1.392 0 40 EDAB COc1ccc(CCS(=O)(=O)NC[C@H](O)c2cccn2C)cc1 75155123 NBHVNGGMWQNPNO-INIZCTEOSA-N 338.429 1.229 0 40 EDAB O=C(O)c1ccc(CCNS(=O)(=O)c2ccc3c(c2)OCO3)cc1 572548499 IJDWGMFODASTRC-UHFFFAOYSA-N 349.364 1.635 0 40 EDAB CN(C)CCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225814809 SWLISOCXNRIYML-UHFFFAOYSA-N 345.440 1.050 0 40 EDAB Cc1ccccc1C(=O)N1CC(n2cc(CN3CCCC3=O)nn2)C1 225630129 IMPVHDQJQYTULN-UHFFFAOYSA-N 339.399 1.406 0 40 EDAB C[C@@](O)(CNC(=O)c1sccc1-n1cnnn1)c1ccsc1 80891836 BAPFOZJFNDXNCW-CYBMUJFWSA-N 335.414 1.423 0 40 EDAB O=C([C@H]1OCCc2ccccc21)N1CC[C@H](Oc2cnccn2)C1 225796080 FOVYLWQEGIUFJU-YOEHRIQHSA-N 325.368 1.770 0 40 EDAB Cc1ccc(CN2CCn3c(nnc3CN3CCCC3=O)C2)s1 96058896 HPIUVMVBGRHQQE-UHFFFAOYSA-N 331.445 1.786 0 40 EDAB Cc1cccc(COC[C@H]2CC[C@H]3[C@H](CCN3S(C)(=O)=O)O2)n1 96186775 HYZJMFIDDOPLQY-PMPSAXMXSA-N 340.445 1.488 0 40 EDAB C[C@@H]1N(C)C(=O)COC12CCN(C(=O)CCc1ccccc1)CC2 96201523 OPACJSRFHYDCGX-HNNXBMFYSA-N 330.428 1.858 0 40 EDAB C[C@@H]1c2ncc(COCC3CCOCC3)n2CCN1S(C)(=O)=O 96109806 FIFDRWMTAKWUNE-GFCCVEGCSA-N 343.449 1.163 0 40 EDAB COCCCNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O 96184148 GVYGDVACAFFQTK-UHFFFAOYSA-N 331.372 1.072 0 40 EDAB COc1cc(=O)n(CC(=O)NC2CCCC2)nc1-c1ccccc1 96184139 QPSHPCVUWPJNKP-UHFFFAOYSA-N 327.384 1.978 0 40 EDAB O=C(N[C@@H]1CCC12CCN(C(=O)c1ccco1)CC2)c1cnccn1 96051507 QHLGKGVZTBPVEV-OAHLLOKOSA-N 340.383 1.884 0 40 EDAB Cc1cc(NC(=O)NC2CCN(CC(=O)N(C)C)CC2)ccc1F 96434652 XIRRHJGOFJHHBB-UHFFFAOYSA-N 336.411 1.808 0 40 EDAB O=C(Cc1nc(CN2CCS(=O)CC2)cs1)Nc1ccccc1 96443320 PJWPNPLDZKHJTB-UHFFFAOYSA-N 349.481 1.889 0 40 EDAB CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cn1 583651342 LFTWFFIYWCLBQV-UHFFFAOYSA-N 349.412 1.697 0 40 EDAB CC1CCN(C(=O)C[S@](=O)Cc2nc(-c3ccoc3)no2)CC1 96448099 DDULCMDZUQIYAA-QHCPKHFHSA-N 337.401 1.837 0 40 EDAB Cn1nccc1CCNC(=O)NCCc1cc(F)c(F)c(F)c1 96503029 ONVZCXQJJJOAQV-UHFFFAOYSA-N 326.322 1.922 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2CCN(c3nc(C)ns3)CC2)c1 96483381 AZKWYBQFULTQII-HNNXBMFYSA-N 348.472 1.717 0 40 EDAB COCCN1CCOCC12CCN(C(=O)Cc1ccccc1)CC2 96226171 WVBPALDRYBMIRL-UHFFFAOYSA-N 332.444 1.569 0 40 EDAB c1ccc(Cn2cc3c(n2)[C@H](CNC2CCOCC2)OCC3)nc1 96044460 FBIVPHUGXDGQKQ-KRWDZBQOSA-N 328.416 1.709 0 40 EDAB Cc1ccc(CN2CCC[C@]3(C[C@H](OCC(=O)N(C)C)CO3)C2)o1 96207066 VGYHXYNTRVQWOE-WMZOPIPTSA-N 336.432 1.816 0 40 EDAB CCc1cnc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)s1 97102975 FUXWNQIKNQSGBV-UHFFFAOYSA-N 336.461 1.859 0 40 EDAB O=S(=O)(C1CC1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107379 LAXTXSANRIYNPD-CJNGLKHVSA-N 338.429 1.576 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CC2 97199051 HENUKGQJEVIOLD-QWHCGFSZSA-N 345.447 1.063 0 40 EDAB CCOCC(=O)N1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1 96215771 QVYOKHLVKNIFFT-RHSMWYFYSA-N 334.420 1.465 0 40 EDAB CC(C)c1nc(=NC(=O)C2CCN(C(=O)N3CCCC3)CC2)o[nH]1 584906955 KBLXNXBQOXKDHH-UHFFFAOYSA-N 335.408 1.481 0 40 EDAB CCN1C[C@H]2CCN(C(=O)Cc3ccccc3)CC[C@H]2S1(=O)=O 96145525 GBSFAHLPGJALJO-HZPDHXFCSA-N 336.457 1.502 0 40 EDAB CCCCS(=O)(=O)N1CC[C@@H](CNc2ncnc(CC)c2F)C1 585080299 BJPCJOYDSWQNRO-LBPRGKRZSA-N 344.456 2.042 0 40 EDAB CCN1CCOC[C@@]2(CC[C@@H](CNc3cc(N(C)C)ncn3)O2)C1 248101224 HOKATBCSYZWENX-WMLDXEAASA-N 335.452 1.224 0 40 EDAB C[C@]1(c2ccccc2)CN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CCO1 585132107 OJXCZARTTPYTQF-YQVWRLOYSA-N 330.428 1.624 0 40 EDAB CC(C)c1ccc([C@H](N)CNC(=O)COCc2nccn2C)cc1 585136405 DWQFLOIESDPRHA-MRXNPFEDSA-N 330.432 1.876 0 40 EDAB CCc1noc(C)c1C(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 257337813 YUMVNHLBSTYXBA-SFHVURJKSA-N 344.415 1.654 0 40 EDAB O=C(COc1cccc(F)c1)N1CCOC[C@@H](Cc2ccncn2)C1 257217475 CZCXEHGFBJKKJA-AWEZNQCLSA-N 345.374 1.712 0 40 EDAB CN(C)Cc1cc([C@@H]2CCCN2C(=O)c2cnc(O)nc2O)ccn1 257252509 JVALICHZEWSBSB-AWEZNQCLSA-N 343.387 1.322 0 40 EDAB C[C@](O)(CCc1ccccc1)C(=O)NC[C@H]1CN(C2CC2)CCO1 252507668 WRDQZWPRGQSIJP-HKUYNNGSSA-N 332.444 1.350 0 40 EDAB CC(C)[C@@H](CNS(=O)(=O)/C=C/c1ccccc1)N1CCOCC1 25373658 QGBAXVWBQSQSKK-MSGBMKDASA-N 338.473 1.934 0 40 EDAB Cc1cncc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCCN3)C2)c1 252508256 XIGRBQWGUKAGMI-ZBFHGGJFSA-N 330.432 1.110 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2cc(F)ccc2OC)CCO1 257203496 AQIIDXLDWHQJFX-CQSZACIVSA-N 346.362 1.880 0 40 EDAB O=C(CCN1CCOCC1)NCc1cnc([C@H]2CCCCO2)nc1 257316355 VFEXMHNGRUNIJB-OAHLLOKOSA-N 334.420 1.057 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@@H](c2nccnc2NC)C1 257302524 SDFKPHJWMGOKKN-SNVBAGLBSA-N 334.405 1.146 0 40 EDAB CCn1cc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)cn1 257292329 QKZWPFLYPRPQFR-QGZVFWFLSA-N 329.404 1.059 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257269964 MSFGOHCJDKWOMV-CYBMUJFWSA-N 341.371 1.372 0 40 EDAB CNC(=O)c1cc(C[C@@H]2CCCN(C3CCOCC3)CC2)ncn1 257211305 BYJZHCQMPZMMBT-CQSZACIVSA-N 332.448 1.660 0 40 EDAB O=C(/C=C/c1ccccc1)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257315448 VBKFZFPIJGXDLC-MOEXGYKKSA-N 339.395 1.913 0 40 EDAB Cn1cccc(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)c1=O 252570625 WZXNPVMEZQPKTA-JOCQHMNTSA-N 328.372 1.295 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)CCn2nnc3ccccc32)n1 257256726 KMPLHXZVCITNEC-OAHLLOKOSA-N 340.387 1.453 0 40 EDAB Cc1nccn1CC(=O)NC1(CC(=O)OC(C)(C)C)CCOCC1 597767385 IEVITVKXTWMJIS-UHFFFAOYSA-N 337.420 1.589 0 40 EDAB CN1c2ccc(NC(=O)Cc3cccnc3)cc2N(C)S1(=O)=O 390827936 MGYOQEKWYQCEHL-UHFFFAOYSA-N 332.385 1.394 0 40 EDAB Cn1cnc2c1C[C@H](CN1CCC(F)(F)C1)N(Cc1cn[nH]c1)C2 585094599 DOLHPALTHDZCGH-CYBMUJFWSA-N 336.390 1.411 0 40 EDAB O=C(N[C@@H]1CC[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O)c1ccccc1 585262292 CVHNHIVUXXLGIU-BDXSIMOUSA-N 327.380 1.748 0 40 EDAB CC(=O)N[C@H](C(=O)NC[C@@H](C)N1CCc2sccc2C1)C(C)C 31963607 SGKNURVNONANTK-WBMJQRKESA-N 337.489 1.772 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)NC1CCN(c2ncccn2)CC1 45711208 ANNQJQDZZMVMOM-UHFFFAOYSA-N 344.419 1.892 0 40 EDAB Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CCC3(CC2)OCCO3)c1 45908322 GHSBUDGYJDIVSJ-AWEZNQCLSA-N 332.400 1.479 0 40 EDAB CCn1nc(C(=O)NC2(C(=O)O)CCCCC2)c2ccccc2c1=O 60796919 UPQVLAQRKXMHGT-UHFFFAOYSA-N 343.383 1.934 0 40 EDAB O=C(NC[C@]1(CCO)CCOC1)c1ccc(-c2ccco2)[nH]c1=O 84432888 WPCASYWBHYJOFI-KRWDZBQOSA-N 332.356 1.154 0 40 EDAB CC[C@@H](C)OCC(=O)N[C@H](CC)c1cccc(S(N)(=O)=O)c1 97229551 NSXFZICEXKGNPT-BXUZGUMPSA-N 328.434 1.716 0 40 EDAB COCCNC(=O)CNC(=O)Nc1ccc(Br)cc1 40477761 CKPGGDNNLLCMNT-UHFFFAOYSA-N 330.182 1.333 0 40 EDAB O=C1OC2(CN(CC3CC3)C2)[C@H]2CN(Cc3ccccc3)CCN12 1549162421 PZCFKOCSXJGLEM-QGZVFWFLSA-N 327.428 1.787 0 40 EDAB CC(=O)N[C@@H]1CN(C(=O)Cc2ccc(C)s2)C[C@H]1c1ccnn1C 1615548983 PTDWIHCEQNZCEQ-HUUCEWRRSA-N 346.456 1.463 0 40 EDAB CN(CCN1CCCC1)S(=O)(=O)CCCNC(=O)OC(C)(C)C 1616036362 KNAZTKOUBPUGOE-UHFFFAOYSA-N 349.497 1.259 0 40 EDAB COCCNC(=O)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595751 LCUWDJWZYHSPTB-RYRKJORJSA-N 330.428 1.841 0 40 EDAB CC(=O)C1=NO[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 5225881 LSYOTFNXUBUFFG-ONGXEEELSA-N 326.230 1.539 0 40 EDAB O=C(NC1CCN(C(=O)CCn2ccc3ccncc32)CC1)C1CC1 12144271 XBOZZUKJEMESLV-UHFFFAOYSA-N 340.427 1.944 0 40 EDAB Fc1ccc([C@H](CNc2ncnc3[nH]ncc23)N2CCOCC2)cc1 12547878 AVKJCBQMSGLTIM-HNNXBMFYSA-N 342.378 1.977 0 40 EDAB O=C(NCCCN1CCOCC1)Nc1c[nH]c2ccccc2c1=O 13565863 YWLGHHRLXJVPJB-UHFFFAOYSA-N 330.388 1.372 0 40 EDAB CCc1c(C)sc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C(N)=O 16247050 KOAYORSSLRVDCK-CDJYRKNRSA-N 334.397 1.385 0 40 EDAB Cc1cnc2c(C(=O)N3CC[C@H](C(=O)N4CCCCC4)C3)cnn2c1 19747297 DEQSWEYPPFBRTG-AWEZNQCLSA-N 341.415 1.512 0 40 EDAB NC(=O)Cc1cccc(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 193599855 KAOCKUGTMQEHRU-GFCCVEGCSA-N 344.333 1.894 0 40 EDAB COc1nc(CNC(=O)c2sc(C)nc2C)nc(N2CCCC2)n1 575604382 ZMDCHUJVSJSLJR-UHFFFAOYSA-N 348.432 1.484 0 40 EDAB Cc1cc(C(=O)N2CCOCC2)cc(S(=O)(=O)N(C)C)c1C 16642798 GVXKOJCQQNISOD-UHFFFAOYSA-N 326.418 1.026 0 40 EDAB Cn1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1=O 32275887 JYWJHCKFCIETML-KRWDZBQOSA-N 341.411 1.016 0 40 EDAB CCn1cc(CN2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)cn1 2037981024 QUTQXSWWVCHHEP-SFHVURJKSA-N 334.464 1.895 0 40 EDAB Cc1cnc(C(=O)N2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)cn1 2037984890 QSBCHZRPPPUEPX-GOSISDBHSA-N 346.431 1.417 0 40 EDAB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1cccc(F)c1 4941318 BFZAZOHLBXSPOX-CQSZACIVSA-N 336.363 1.956 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2[nH]1 5252673 ZFEIBYZCXJURTG-UHFFFAOYSA-N 347.352 1.428 0 40 EDAB O=C(NCc1n[nH]c(=O)c2ccccc12)C(=O)NC1CCCCCC1 17200991 ICWMFEDJABJEFU-UHFFFAOYSA-N 342.399 1.378 0 40 EDAB COc1ccc(C(=O)NCCn2ccnc2-c2cnccn2)cc1F 575609171 KCLOAQJTQCEAKE-UHFFFAOYSA-N 341.346 1.918 0 40 EDAB COc1nc(CNC(=O)c2nc3ccccc3s2)nc(OC)n1 575608690 XVQLZXTTZCWUCU-UHFFFAOYSA-N 331.357 1.429 0 40 EDAB c1cc(N2CCN(c3ncnc4c3CCC4)CC2)nc(-n2cccn2)c1 2298061998 KUGHIEPFSBAPPR-UHFFFAOYSA-N 347.426 1.873 0 40 EDAB O=C(CN1CCn2c(nnc2C(F)(F)F)C1)NC1CCCCC1 77973145 NXMWDPPGBXSUCR-UHFFFAOYSA-N 331.342 1.561 0 40 EDAB CCC(Nc1ccc(NC(C)=O)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 17251154 YAODCKKOXJSEBB-UHFFFAOYSA-N 344.371 1.771 0 40 EDAB CC[C@](C)(CNC(=O)NCc1cccnc1OC)N1CCOCC1 31163308 APSSFGWYIUTYEX-QGZVFWFLSA-N 336.436 1.390 0 40 EDAB CC(C)(C)c1noc(CCC(=O)N2CCN(c3cnccn3)CC2)n1 31287203 QKTREZQGSFEXLV-UHFFFAOYSA-N 344.419 1.439 0 40 EDAB CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(N)=O)c2)C1 50723158 MELDWVIXJGYODU-ZDUSSCGKSA-N 332.404 1.556 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2c1C 40489412 HTLXGBDZHZTIRY-UHFFFAOYSA-N 335.429 1.502 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2ccccc2C(=O)c2cccs2)CCO1 50857131 OILJDMXQHFWTPL-CYBMUJFWSA-N 344.392 1.305 0 40 EDAB CCc1nnsc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40539023 ZQJKVEJKXLUAOZ-HNNXBMFYSA-N 345.384 1.407 0 40 EDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3cccc(F)c3)ccc21 51135783 KGXAYXKUBOQAJT-UHFFFAOYSA-N 349.387 1.495 0 40 EDAB C/N=c1\sc(C(=O)Nc2ccc(C(=O)OC)cc2)cc(=O)n1C 101167149 WXONFWOZMWJJEU-NXVVXOECSA-N 333.369 1.016 0 40 EDAB O=C(CC1CCCC1)NCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 101387007 VRVBNGKEJSALTF-MRXNPFEDSA-N 334.464 1.339 0 40 EDAB CCS(=O)(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 52114746 VXNIOAIMQQFWBO-UHFFFAOYSA-N 335.429 1.809 0 40 EDAB COc1ccc(CNC(=O)CCNC(=O)c2ccc(F)cc2F)cn1 32882628 GPTNLACPNALGJI-UHFFFAOYSA-N 349.337 1.805 0 40 EDAB FC(F)(F)c1ccccc1NNC(=S)NCCN1CCOCC1 21763269 SILBXALJQVMBFI-UHFFFAOYSA-N 348.394 1.829 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)c1 32957834 FPWHJRNWUFPGML-UHFFFAOYSA-N 332.425 1.980 0 40 EDAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1 206676 JMJGZKPJQVBIJM-ZXTQRBJTSA-N 327.336 1.696 0 40 EDAB C[C@H](NC(=O)c1c(I)cnn1C)[C@H]1CCCO1 2775181 FQBYRUSKGSGUOG-IONNQARKSA-N 349.172 1.322 0 40 EDAB Cn1cc(CCCNc2nc(CC3CC3)nc3c2CCNCC3)cn1 72439226 WRQVRRLQKVFNKO-UHFFFAOYSA-N 340.475 1.896 0 40 EDAB CCCOc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C 12232176 GEGPXGGAGIMTPG-UHFFFAOYSA-N 328.372 1.271 0 40 EDAB C[C@H](NC(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1)c1nncn1C 46962813 PYDSSECOLZUHSF-IHRRRGAJSA-N 337.424 1.246 0 40 EDAB CC(C)N1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 41825005 LHYOPZMILNSQKJ-UHFFFAOYSA-N 329.404 1.617 0 40 EDAB Cc1nccn1CCCC(=O)N1CCN(c2cc(Cl)ncn2)CC1 78997927 AWWPWRXIDVZDEN-UHFFFAOYSA-N 348.838 1.764 0 40 EDAB C[C@H](O)CN[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 4280203 LAZAXTCLSFADDG-WRWORJQWSA-N 335.187 1.746 0 40 EDAB O=C(NCCO)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 4976779 VJBLURITGIFLGC-RAXLEYEMSA-N 334.759 1.812 0 40 EDAB COCCCNC(=O)CN(C)C(=O)Cc1cccc2ccccc12 54538198 LRFQWQYHLOGGKS-UHFFFAOYSA-N 328.412 1.993 0 40 EDAB COC(=O)C[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)C(=O)OC 24829496 IUMDCOJQVOUFKE-WCQYABFASA-N 339.413 1.697 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)Cc1ccccn1)CC2 108530681 IRVLSDFUIVMLMG-UHFFFAOYSA-N 345.443 1.502 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C2)c(OC[C@H]2CCCO2)c1 56303420 RQLMTOLVHSBTBB-ZIAGYGMSSA-N 332.400 1.970 0 40 EDAB CC(C)Cc1nnc([C@@H](C)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)o1 107322872 FBUFXFXHFOMPIK-PXAZEXFGSA-N 349.435 1.734 0 40 EDAB Cc1cccc2nc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)cn12 25990285 WNVNMBSUWNDSHD-UHFFFAOYSA-N 341.371 1.542 0 40 EDAB C[C@@H](NC(=O)COC(=O)c1ccn(C)c(=O)c1)[C@@H]1C[C@H]2CC[C@H]1C2 108066922 CSUTXTLJIGHPAJ-OSFYFWSMSA-N 332.400 1.483 0 40 EDAB CC[C@]1(C)NC(=O)N(NC(=O)CN(Cc2ccccc2)C2CC2)C1=O 26918451 LNMLJYIQVNHGOY-SFHVURJKSA-N 344.415 1.403 0 40 EDAB Cc1noc([C@@H](C)N2CCN(Cc3cn4ccccc4n3)CC2)n1 44586153 WTIPJWXIVLZTSP-CYBMUJFWSA-N 326.404 1.905 0 40 EDAB O=C(CN1C(=O)NC(C2CC2)(C2CC2)C1=O)NCc1ccccc1F 58293173 LHETVCAKRAEEKD-UHFFFAOYSA-N 345.374 1.553 0 40 EDAB CCCNC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1 12635572 SSVPTYSYDAOJDL-JTQLQIEISA-N 331.463 1.339 0 40 EDAB O=C1C[C@H](C(=O)NCCNc2cnccn2)c2ccc(F)cc2N1 48252860 JYTLIHBNHMXQFQ-LBPRGKRZSA-N 329.335 1.270 0 40 EDAB CN(C)c1cc(CNC(=O)NC[C@@H](c2ccco2)N(C)C)ccn1 48273473 ZTHINCXOQDEGSY-AWEZNQCLSA-N 331.420 1.843 0 40 EDAB COCCCNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 113941195 UDBUACCXKABOCD-LLVKDONJSA-N 332.397 1.133 0 40 EDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 22412038 INWICHVIVJJXMF-UHFFFAOYSA-N 345.424 1.537 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 58325409 LYDVKASYNADVQW-KRWDZBQOSA-N 347.434 1.728 0 40 EDAB CN1CCO[C@H](CNC(=O)Cc2ccc(OC(F)(F)F)cc2)C1 58331033 MCAHZIQRVIVALZ-CYBMUJFWSA-N 332.322 1.575 0 40 EDAB CCOCCO[C@H](C)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 58331009 VYXOMVMNXHVRCD-OAHLLOKOSA-N 348.443 1.849 0 40 EDAB O=C(NCc1ccc(-n2ccnc2)cc1)c1cccc(-n2cnnn2)c1 58363804 TYHVLXCXGKVVSM-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB Cc1cc(N2CCN(CC(=O)N(C)C)CC2)nc(-c2ccncc2)n1 58355415 QZRZCWMRYOOKMU-UHFFFAOYSA-N 340.431 1.057 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2CN2CCCC2)c1 58420985 ZYVWZBRAUCXXAY-OAHLLOKOSA-N 336.457 1.791 0 40 EDAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccon2)c(OC)c1 11137459 QCZAOYKYSVNHPF-GQCTYLIASA-N 332.312 1.887 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCc2ccc(Cn3cncn3)cc2)C1 45799358 MLCJGKITONQEAA-AWEZNQCLSA-N 349.460 1.393 0 40 EDAB C[C@@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N1CCOCC1 45812396 FIVNUWFUAJRZLF-ZIAGYGMSSA-N 345.443 1.933 0 40 EDAB NC(=O)[C@H]1CC(C(=O)Nc2ccccn2)=NN1c1ccc(F)cc1 29437758 YHWPHZFUYYWIJO-CYBMUJFWSA-N 327.319 1.279 0 40 EDAB CCN(C(=O)[C@@H](C)S(=O)(=O)Cc1nc(C)no1)c1ccccc1 46129747 ALSKDTMOSZKVEH-LLVKDONJSA-N 337.401 1.734 0 40 EDAB CC(C)Cc1noc(CS(=O)(=O)Cc2ccc(C(N)=O)cc2)n1 46131434 HTECFVSYXGOILQ-UHFFFAOYSA-N 337.401 1.482 0 40 EDAB CC(=O)NCCNC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 48362261 NLEVVULBPAUFMB-QGZVFWFLSA-N 349.431 1.980 0 40 EDAB O=C(CN1CCC[C@H]1C(=O)Nc1ccccc1)NCC(F)(F)F 12813351 ORWAPGNBXZZGKO-LBPRGKRZSA-N 329.322 1.768 0 40 EDAB O=C(NCCNC(=O)c1cncc(Cl)n1)c1ccc(Cl)cc1 97105674 HPNKGYRQHVTXFJ-UHFFFAOYSA-N 339.182 1.943 0 40 EDAB CCc1ccc([C@H](C)NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1 12928919 YRRNSFDRHVDAOF-JTQLQIEISA-N 332.429 1.884 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)cc1 12908019 OUWDWFQIRSPJLT-UHFFFAOYSA-N 348.380 1.207 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1ccc(C(=O)N2CCCC2)cn1 12938204 NZYKUPICAFAQRZ-SNVBAGLBSA-N 336.417 1.254 0 40 EDAB COc1cc(NC(=O)NC2CCOCC2)ccc1N1CCOC1=O 63348223 JZEABBXPKXSYEQ-UHFFFAOYSA-N 335.360 1.952 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)n1 71282023 CCCRHJYAWIUNTL-NXEZZACHSA-N 326.374 1.544 0 40 EDAB O=C(COC(=O)C[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1 4392835 DAXSYAUDENCBRM-SNVBAGLBSA-N 329.349 1.132 0 40 EDAB COC[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 65422388 RJSAKPAGIJIKNN-KGLIPLIRSA-N 340.493 1.371 0 40 EDAB COc1cc(OC)c(OC)cc1CNCCNC(=O)c1ccco1 4498137 LHXRIYMRVQLMQD-UHFFFAOYSA-N 334.372 1.825 0 40 EDAB Cc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)NCC(F)(F)F)cc1 14093428 DBJAKMPXBNMABO-NSHDSACASA-N 331.338 1.932 0 40 EDAB O=C(NC1CCN(C(=O)/C=C/c2ccccn2)CC1)c1ccncc1 65503530 SBIDVGLMGGTOTD-SNAWJCMRSA-N 336.395 1.911 0 40 EDAB Cc1cccc(NC[C@H]2CCN(CCC(=O)N3CCOCC3)C2)n1 65542366 WUPIQWVWHCAYSA-MRXNPFEDSA-N 332.448 1.373 0 40 EDAB O=C(CNc1cc(-n2cnnn2)ccc1F)NCCc1cccs1 65552679 VIXKAJBGJQTPII-UHFFFAOYSA-N 346.391 1.634 0 40 EDAB CCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 4646597 NMYINRCYJSZHED-QPSCCSFWSA-N 345.351 1.846 0 40 EDAB O=C(N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)N1CCOCC1 96002623 BTHPJRIJDSPNQB-AWEZNQCLSA-N 345.378 1.441 0 40 EDAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 6879877 AJZZCOJSRLKXAS-LBPRGKRZSA-N 340.387 1.392 0 40 EDAB CC(C)NC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2cccc(F)c2)C1 66848600 DUNYIKMNAXVCSP-DOMZBBRYSA-N 337.395 1.822 0 40 EDAB CCN1CC[C@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C[C@@H]1C 95400558 CMKQQSKNKVUYBV-WDSOQIARSA-N 345.487 1.876 0 40 EDAB CN(C)[C@@H](C(=O)NCC(=O)Nc1ccccn1)c1c(F)cccc1F 95450033 IOYIZGOHBIDUGB-MRXNPFEDSA-N 348.353 1.717 0 40 EDAB O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1ccccc1 5938653 AFZJVKMFFGENRK-UHFFFAOYSA-N 327.296 1.209 0 40 EDAB CNC(=S)N(Cc1ccc(S(N)(=O)=O)cc1)CC(F)(F)F 7026861 RJXMJWMGAKSPTA-UHFFFAOYSA-N 341.380 1.203 0 40 EDAB CS(=O)(=O)N1CCC(CNc2ncc(Br)cn2)CC1 67370744 WYAFQRDWNTYDRJ-UHFFFAOYSA-N 349.254 1.323 0 40 EDAB CCOc1ccc(F)cc1NC(=O)C(=O)N(C)CC(=O)NC(C)C 67527337 FNHZENXXHVZQMO-UHFFFAOYSA-N 339.367 1.146 0 40 EDAB CS(=O)(=O)CCN1CCC(NC(=O)/C=C/c2ccccc2)CC1 68506309 SNGZPLIUGRVZMZ-BQYQJAHWSA-N 336.457 1.325 0 40 EDAB CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cnccn1 68825205 BBBJMHDPCYRTIV-GXTWGEPZSA-N 336.461 1.933 0 40 EDAB Cc1ccc(N2CCC[C@H](NC(=O)CCn3cncn3)C2=O)cc1 96426760 JKPJTYFZLYRPSV-HNNXBMFYSA-N 327.388 1.288 0 40 EDAB CN1CCN(CCOc2ccc(NC(=O)c3ccncc3)cc2)CC1 96432173 HMRRKJOKKAUKKU-UHFFFAOYSA-N 340.427 1.960 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc(-c2ccoc2)no1 70020225 JZEHGINGQCXALR-UHFFFAOYSA-N 338.345 1.755 0 40 EDAB c1ccc(-c2nnc(CN3CCO[C@@H](Cn4cccn4)C3)o2)cc1 69391816 WDHMRFKUJMGEAI-OAHLLOKOSA-N 325.372 1.834 0 40 EDAB Cc1ccnc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(CC3CC3)C2)c1 69435309 XPSGYXCRFRRCEH-AWEZNQCLSA-N 344.415 1.045 0 40 EDAB C[C@H](Cn1cccn1)NCC(=O)N(C)C[C@H]1COc2ccccc2O1 69415989 OCQNRYNZVHLTFT-CABCVRRESA-N 344.415 1.160 0 40 EDAB CCCNS(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1 17118435 RZBKQAMVWNKEIS-UHFFFAOYSA-N 326.466 1.300 0 40 EDAB c1ccc(C2(c3nc(CN4CCOCC4)no3)CCOCC2)cc1 71851865 BHDRUAFJWQPGNU-UHFFFAOYSA-N 329.400 1.998 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 71871294 OSUKJSXVRORLND-ZDUSSCGKSA-N 334.464 1.654 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)cc1 71804319 GPYMTDNQRYEPFA-GOSISDBHSA-N 345.443 1.350 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1nnc(Cc3ccccc3)o1)CC2 69808077 YFHNFNTYGOUBSV-CQSZACIVSA-N 338.415 1.919 0 40 EDAB C[C@@H](NC(=O)N1CCC(CO)CC1)C(=O)N1CCc2ccccc21 69847736 OVSKOVZMFPGSNE-CYBMUJFWSA-N 331.416 1.378 0 40 EDAB C[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)Cn1ccnc1 69848573 VWKZCMPNXOURAM-AWEZNQCLSA-N 344.419 1.573 0 40 EDAB COCCN(CCC(=O)OC)C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 69848735 IBJILUMZGNDXPB-GOSISDBHSA-N 349.383 1.196 0 40 EDAB CC(C)(C)[S@@](=O)CCNC(=O)N1CCN(c2nccs2)CC1 69979782 NPVFOYRKEGIJFD-JOCHJYFZSA-N 344.506 1.522 0 40 EDAB C[C@@H]1CCc2c(sc3nc(SC[C@@H](O)CO)[nH]c(=O)c23)C1 19993584 YKERRRWILQSTNP-SFYZADRCSA-N 326.443 1.555 0 40 EDAB CCN(CC(=O)Nc1nncs1)Cc1cccc2c1OCCO2 71900538 DKTLEMSJTVLGDE-UHFFFAOYSA-N 334.401 1.770 0 40 EDAB C[C@@H](c1ccccc1F)N1CCN(C(=O)CCS(C)(=O)=O)CC1 71904799 FCRMPBGOXXXTRT-ZDUSSCGKSA-N 342.436 1.466 0 40 EDAB C[C@H]1Cc2cc(S(=O)(=O)NCc3cnn(C)c3)cc(Cl)c2O1 71914578 UQNMOPFRGMIDHR-VIFPVBQESA-N 341.820 1.875 0 40 EDAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)O)C2=O)cc1OC 8765165 CMBABQKQBSQPGS-NSHDSACASA-N 336.344 1.032 0 40 EDAB biogenic CC1CCN(CCNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1 71911641 RBFRDXURPAHPPE-FUHWJXTLSA-N 344.459 1.449 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CC2)cc1C 9667956 QHUVQGAYIVYARV-LLVKDONJSA-N 326.418 1.339 0 40 EDAB Cc1ccn2c(NC(=O)C3CCN(C(=O)N(C)C)CC3)nnc2c1 88253579 UARXVARYWGXMOD-UHFFFAOYSA-N 330.392 1.370 0 40 EDAB CN(Cc1ncnn1C)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1 74165759 AKJITGPCMBPNQK-CQSZACIVSA-N 334.468 1.754 0 40 EDAB COC(=O)c1nn(Cc2nnnn2-c2ccccc2)c2c1CCCC2 95993938 VGVUVFTVGONGLC-UHFFFAOYSA-N 338.371 1.573 0 40 EDAB COC[C@@H](C)N1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 95964601 NJBRZSPEEMTAFB-CYBMUJFWSA-N 338.429 1.774 0 40 EDAB O=C(NCCN1CCNCC1)[C@@H]1C[C@H]1c1c(F)cccc1Cl 95971543 NUOSMJDDESZXIE-VXGBXAGGSA-N 325.815 1.604 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@]1(CCO)CCOC1 89540337 QRFJKHQHIQPYCT-AWEZNQCLSA-N 333.837 1.716 0 40 EDAB CCN1CCc2ccc(NC(=O)NCCS(=O)(=O)CC)cc21 75127105 QSFYVBFMMSWPIP-UHFFFAOYSA-N 325.434 1.625 0 40 EDAB NC(=O)NCc1ccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)cc1 75137019 SBZGXYAVUXDLHJ-UHFFFAOYSA-N 336.355 1.892 0 40 EDAB Cc1ccccc1Cc1noc(CN2C(=O)N[C@]3(CCOC3)C2=O)n1 89690428 YQXRTBFMPDQHJO-KRWDZBQOSA-N 342.355 1.180 0 40 EDAB Cc1csc(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)n1 89705600 RFUBRDWRAIBEHN-CQSZACIVSA-N 345.424 1.495 0 40 EDAB O=C(NCCc1c(F)cccc1Cl)NC[C@H]1CCCS1(=O)=O 89768040 NXTAUNJTTTWONF-SNVBAGLBSA-N 348.827 1.898 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N2CCC(O)(C(F)(F)F)CC2)C1 89929816 MJBYXGNXFRJJMN-JTQLQIEISA-N 330.372 1.352 0 40 EDAB CCS(=O)(=O)NCCN1CCC[C@@H]1c1cccc(N(C)C)c1 75838529 ULLMRVDCHRXWTA-MRXNPFEDSA-N 325.478 1.829 0 40 EDAB Cc1ccc(CN(c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)cc1 22231469 AVRVHUPDKWGGLM-UHFFFAOYSA-N 348.424 1.825 0 40 EDAB CC1(C)CS(=O)(=O)CCN1CC(=O)NCCC1=CCCCC1 547843058 OXGGOHPAHLUHAT-UHFFFAOYSA-N 328.478 1.502 0 40 EDAB O=C(CO)N1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 129488548 WIDNNDNHZDODHY-UHFFFAOYSA-N 334.269 1.121 0 40 EDAB Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2ccnnc2)n1 306133962 NAJAXCDGALJMBD-JKSUJKDBSA-N 337.383 1.196 0 40 EDAB Nc1nc(SCc2ccccn2)nn1CC(=O)NC1CCCCC1 35315530 KFTZNPAXTFYXEX-UHFFFAOYSA-N 346.460 1.997 0 40 EDAB CN1CCC(CNC(=O)[C@@H]2OCOc3ccccc32)(N(C)C)CC1 36740676 CQLOCLNHTCVQRB-MRXNPFEDSA-N 333.432 1.236 0 40 EDAB COCCNC(=O)c1ccc(N2CCN(C)c3ccccc3C2)nc1 79031151 CTDVTMGAUGYVPN-UHFFFAOYSA-N 340.427 1.914 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)Cc2ccccc2)cc1 74605111 DTCYCVSTVSEHLP-INIZCTEOSA-N 348.424 1.527 0 40 EDAB O=C(Cc1ccc(Br)cc1)NCCn1cccnc1=O 675008008 MDUSANDKSNXBPN-UHFFFAOYSA-N 336.189 1.365 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)no1 79001594 PGJNXSKUEPUCJM-UHFFFAOYSA-N 343.343 1.584 0 40 EDAB CC[C@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O 217663256 LZJNNPABPAVNCD-WDEREUQCSA-N 344.433 1.908 0 40 EDAB CN(C)CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 74921868 LTKYBVYVKYQYPD-UHFFFAOYSA-N 339.461 1.153 0 40 EDAB C[C@@H](NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 70639380 ANMRZDNZTZOIGG-PBHICJAKSA-N 326.396 1.584 0 40 EDAB CC(C)[C@](C)(O)CNC(=O)c1cccc(CN2CCN(C)CC2)c1 74216300 MBCYJJAUOPEKRC-LJQANCHMSA-N 333.476 1.571 0 40 EDAB CN(Cc1ncnn1C)C(=O)Nc1ccc(-c2csnn2)cc1 72940191 UJGARJPWTQJGLN-UHFFFAOYSA-N 329.389 1.998 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H](Oc2cccnn2)C1 225456150 SNMLSCSOXIKRFW-CQSZACIVSA-N 341.367 1.818 0 40 EDAB CCOCCCNC(=O)c1sc(N(C)S(C)(=O)=O)nc1C 225883506 VZFDUNZWZINNET-UHFFFAOYSA-N 335.451 1.004 0 40 EDAB O=C(/C=C/c1cccs1)NCCn1nc(-n2ccnc2)ccc1=O 75163025 QQOWUGOJFHNQLY-HWKANZROSA-N 341.396 1.320 0 40 EDAB CCc1nc(CN2CCC[C@H](Nc3cc(C)nc4ncnn34)C2)no1 69436449 IFBGHGVSAOTKDI-LBPRGKRZSA-N 342.407 1.455 0 40 EDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCC(=O)N1CCCCC1)O2 40808717 NWUWGHJVHYXSNF-GOSISDBHSA-N 345.399 1.213 0 40 EDAB O=C(O)c1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 226860268 WVCPWBKRVQKQLO-UHFFFAOYSA-N 346.320 1.069 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](O)C1CCCCC1 77179727 WWFIFOQDMDVPCM-OAHLLOKOSA-N 334.416 1.369 0 40 EDAB CS(=O)(=O)CCCNC(=O)c1c[nH]nc1-c1cccc(Cl)c1 87160631 XFANWKHBGJDBOZ-UHFFFAOYSA-N 341.820 1.895 0 40 EDAB CN1C(=O)c2cccnc2O[C@H]2CN(Cc3ccncc3F)C[C@H]21 514290261 WXGGRYCMHHVELZ-CABCVRRESA-N 328.347 1.333 0 40 EDAB biogenic,in-vitro CNC(=O)[C@H](C)CN(C)Cc1cn(-c2ccc(F)cc2Cl)nn1 96490090 VLDMRBIUBNCOMH-SNVBAGLBSA-N 339.802 1.874 0 40 EDAB Cn1cncc1CN1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 96226331 UBNFVWJRPDCQJC-SFHVURJKSA-N 327.432 1.687 0 40 EDAB CN(C)C(=O)c1n[nH]c2c1CCN(Cc1ccc3c(c1)OCO3)C2 96187439 ZJASGTTVHVXFKX-UHFFFAOYSA-N 328.372 1.399 0 40 EDAB O=C(c1ccnnc1)N1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107829 ZYQMXBDVRAGLJX-PBHICJAKSA-N 326.356 1.324 0 40 EDAB CCOC[C@H]1CCN(C(=O)NCc2ccc(-n3ccnc3)nc2)C1 96448361 SLWBQHPLBOXDDI-HNNXBMFYSA-N 329.404 1.835 0 40 EDAB CC(C)CN1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 96244179 FZFIUKZLSMWFCR-SFHVURJKSA-N 332.448 1.443 0 40 EDAB Cc1ccc2nc(CO[C@H]3CN(C(=O)CCC(=O)O)C[C@H]3F)[nH]c2c1 96112078 KUYUXOANXRDTSK-RISCZKNCSA-N 349.362 1.802 0 40 EDAB biogenic,in-vitro Cc1ccc(CN2Cc3nnn(C)c3[C@@H](COCCN(C)C)C2)s1 96060667 FIKZXSJNBRLOSL-CQSZACIVSA-N 349.504 1.863 0 40 EDAB CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNCc1cccs1)OCC2 96059727 YFRCSAOJTDKCQF-CQSZACIVSA-N 334.445 1.436 0 40 EDAB CCN1C[C@]2(CC1=O)CN(Cc1ccc(C)o1)CCN(C(C)=O)C2 96036137 UCJJIVHFFIIWFP-SFHVURJKSA-N 333.432 1.491 0 40 EDAB COc1ncccc1CN1CC[C@@H]2CN(CCN(C)C)CCO[C@@H]2C1 96249590 GKOPUJJTRXWBQF-SJLPKXTDSA-N 348.491 1.175 0 40 EDAB CS(=O)(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 96267290 JILKHNLYQLCBEW-UHFFFAOYSA-N 349.460 1.469 0 40 EDAB Cc1ccc([C@H]2[C@@H](C(=O)NCc3ccccn3)OCC(=O)N2C)cc1 96181504 MOJIXTPNNCZMFW-ROUUACIJSA-N 339.395 1.605 0 40 EDAB CN(CCNC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1)c1ccccc1 96486788 PLKSJHRRLXXRRC-WBVHZDCISA-N 344.459 1.823 0 40 EDAB O=C(c1cccnc1)N1CCOC2(CCN(C3CCOCC3)CC2)C1 96158962 CWNSOOCZDHYQLT-UHFFFAOYSA-N 345.443 1.568 0 40 EDAB CC(=O)N[C@@H](CC(=O)N[C@H]1CCc2nc(C)cn2C1)c1ccccc1 97198521 SPIMXTDBXJWJQS-IRXDYDNUSA-N 340.427 1.890 0 40 EDAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)Cc1ccc3c(c1)OCO3)C2 96218475 FPZQAKXTZOARIG-HNAYVOBHSA-N 346.427 1.385 0 40 EDAB Cc1cccnc1C(=O)N(C)C[C@@]1(O)CCCN(c2ccccn2)C1 257325274 WSFSOODEXBPIRO-IBGZPJMESA-N 340.427 1.889 0 40 EDAB COc1ccc(CC(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)cc1 257259374 KYCIKJGWOTWJIH-QGZVFWFLSA-N 327.384 1.936 0 40 EDAB Cc1ncsc1CN1CCC[C@@H]1c1ccnc2c(C(N)=O)cnn12 257265577 LZGHNGSNXHQWCW-GFCCVEGCSA-N 342.428 1.930 0 40 EDAB COCC(=O)N1CCC(c2cc(N3C[C@@H](C)OC3=O)nc(C)n2)CC1 257341263 ZJOXMEDSYYEEDX-LLVKDONJSA-N 348.403 1.483 0 40 EDAB CNCCOc1cccc(C(=O)N2CC[C@H](OC)[C@]3(CCCO3)C2)c1 257269545 MQKXICXESARFCW-HKUYNNGSSA-N 348.443 1.695 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCC[C@H](c2ccnc(O)n2)C1 257201098 AGGXKWRASUVSDJ-LBPRGKRZSA-N 341.367 1.973 0 40 EDAB O=C(Cc1cccs1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257246944 IWRGZHNKCPNPSC-ZDUSSCGKSA-N 333.413 1.646 0 40 EDAB CCn1nc(C(=O)NCc2cnc([C@H]3CCN(C(C)=O)C3)[nH]2)cc1C 257322853 WHROEGAVPLFUPU-ZDUSSCGKSA-N 344.419 1.200 0 40 EDAB COC(=O)[C@H](Sc1nnc2nc(O)c(C)nn12)c1ccsc1 252498699 RIVYKIXFWLEZBJ-MRVPVSSYSA-N 337.386 1.601 0 40 EDAB CO[C@@H]1CCCOC12CCN(C(=O)c1ccc(C)n(C)c1=O)CC2 257205851 BAVSRTDVMYJLTG-OAHLLOKOSA-N 334.416 1.494 0 40 EDAB C/C=C/C(=O)O[C@@H]1/C=C/[C@H](O)[C@H](OC(C)=O)CCC(=O)O[C@H]1C 253389298 GXBAKQFLYWSOJH-NFTZSIACSA-N 326.345 1.049 0 40 EDAB biogenic,in-vitro O=S(=O)(NC[C@H](O)CCc1ccccc1)c1ccc2c(c1)OCO2 273035704 CWFFNBCVKPBNMF-CQSZACIVSA-N 349.408 1.687 0 40 EDAB CCCCN(C)c1ccc(NC(=O)N2CC[C@@](O)(C(N)=O)C2)cc1 1616034800 NWLXEQIHHJEGCI-KRWDZBQOSA-N 334.420 1.377 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@]23CNC[C@@]2(C1)CN(C(=O)C(F)(F)F)C3 601012371 CGJLPTLVWVGQSA-KBPBESRZSA-N 349.353 1.218 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCCSC[C@@H]1CN(C)C 90608958 AVIYHQQMAGFEFH-ZDUSSCGKSA-N 344.502 1.753 0 40 EDAB O=C(Cn1nnc2ccccc21)Nc1ccccc1-c1ccc(=O)[nH]n1 90614031 IRXQWUOFZKXZQJ-UHFFFAOYSA-N 346.350 1.820 0 40 EDAB Cc1cc(CNc2cccc(S(=O)(=O)NCC(C)(C)O)n2)on1 1615050910 NINVWJKNGAHLIJ-UHFFFAOYSA-N 340.405 1.039 0 40 EDAB CC[C@H](C)[C@@H](C(=O)NCCc1nc2ccccc2[nH]1)n1cnnn1 604418829 HVTSURQFYLIPHY-NHYWBVRUSA-N 327.392 1.496 0 40 EDAB COc1ccn2c(C(=O)NC(C)(C)[C@H](O)C(F)(F)F)cnc2c1 1615547523 JCPDYPFAQPNVPO-LBPRGKRZSA-N 331.294 1.775 0 40 EDAB COc1c(Br)cccc1C(=O)NCc1cnn(C)n1 1615613117 RPFRCOVVKLNGGS-UHFFFAOYSA-N 325.166 1.516 0 40 EDAB CCC(=O)N1CSC[C@H]1C(=O)NCCC(=O)N1CCCCCC1 69457650 YFEJCOAXQYIUSN-ZDUSSCGKSA-N 341.477 1.207 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)COC2CCCCC2)CC1 69462029 NIPCFKGMUJGKFN-MRXNPFEDSA-N 337.464 1.276 0 40 EDAB COC[C@@]1(CC(=O)NCc2ccc(CO)cc2)CCCN1C(C)=O 585280542 KCAWRXWAOSAWCK-SFHVURJKSA-N 334.416 1.213 0 40 EDAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2onc(Cl)c2c1 585142195 RFTNHPVFVJOXJX-SSDOTTSWSA-N 331.781 1.284 0 40 EDAB O[C@]1(COc2cccc(F)c2)COCCN(Cc2cncnc2)C1 585269018 HVPIJYSHPJSSIS-KRWDZBQOSA-N 333.363 1.258 0 40 EDAB COc1cccc2[nH]c(C(=O)N(C)[C@@H]3COC[C@@H](OC)[C@H]3O)cc12 585286632 NSVKGLQYAMITOM-BMFZPTHFSA-N 334.372 1.023 0 40 EDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2ccccc2F)C1 66690224 WHYSQVIRVFSOIE-MLGOLLRUSA-N 332.375 1.737 0 40 EDAB Cc1ccc(CN2CCC(CNC(=O)Cn3cnnn3)CC2)cc1 69898756 AYRATHDLIMILRL-UHFFFAOYSA-N 328.420 1.010 0 40 EDAB O[C@@H](CN[C@@H]1CCc2ncnn2C1)COc1ccc2ccccc2c1 69815397 JJEZKTVKBAKLJD-SJORKVTESA-N 338.411 1.776 0 40 EDAB O[C@H]1[C@H](NC2CCCC2)[C@H]2CO[C@H](O2)[C@@H]1n1cnc2ccccc21 952844793 JHTXLZDDZDAEOJ-HSFUPAIVSA-N 329.400 1.594 0 40 EDAB biogenic,in-vitro C[C@H](c1ccccc1Cl)N1CCN(C(=O)Cn2cnnn2)CC1 44705094 PFBKRNJMEDXULM-GFCCVEGCSA-N 334.811 1.232 0 40 EDAB Cc1cccc(Cc2cnc(NC(=O)CN3CCNC(=O)C3)s2)c1 44888999 KFLHRZJJIHXFFY-UHFFFAOYSA-N 344.440 1.413 0 40 EDAB Cn1cccc(C(=O)N2CCC(COc3ncccn3)CC2)c1=O 1775995714 FOICFJJHQLCEOO-UHFFFAOYSA-N 328.372 1.107 0 40 EDAB Cc1cc(N2CCN(c3ccc(-c4ccccn4)nn3)CC2)ncn1 1776008622 KPDZLKCOPZVEFR-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB O=C(CCOc1cccc(F)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269068 WBJYULGQVAAXDM-SJORKVTESA-N 336.407 1.652 0 40 EDAB CCn1nc2c(cc1=O)CN(C[C@@H](O)COc1ccc(F)cc1)CC2 72302171 VRZUYNHADJVJKJ-OAHLLOKOSA-N 347.390 1.200 0 40 EDAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)NC2CCCC2)c1=O 57486035 PUILAHBHAFMEKE-UHFFFAOYSA-N 349.456 1.940 0 40 EDAB CCN(Cc1cc(=O)n2nccc2[nH]1)C[C@H](O)c1ccc(C)cc1 72828659 WICDTDDRYUEYJX-INIZCTEOSA-N 326.400 1.887 0 40 EDAB COc1cccc2sc(OC3CN(S(=O)(=O)C4CC4)C3)nc12 85556084 ROYUHLSGZTXDMV-UHFFFAOYSA-N 340.426 1.860 0 40 EDAB Cc1ccc(F)c(N2CCC[C@@H](NC(=O)CCn3cncn3)C2=O)c1 95398150 DGOYEZXTNHWBMH-CQSZACIVSA-N 345.378 1.428 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220724430 ZIZRQTLEODRPLC-NSHDSACASA-N 328.372 1.730 0 40 EDAB CCN(CC)C(=O)N1CCC[C@H](c2ncncc2S(C)(=O)=O)C1 12128261 LFELVNJGLALBSG-LBPRGKRZSA-N 340.449 1.521 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCC(C)CC3)n2)o1 12182701 RWZCCOWYBKTBIX-UHFFFAOYSA-N 330.388 1.652 0 40 EDAB CC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1OC 13581109 CCYSINHQILDJHK-NSHDSACASA-N 346.424 1.760 0 40 EDAB Cc1cccnc1-n1cccc1CN1C[C@H]2C[C@@H](O)CN2C[C@@H]1C 19237897 QGEACUCABJCNCI-CGTJXYLNSA-N 326.444 1.820 0 40 EDAB COCC(=O)NCc1ccc(-c2ncncc2C(=O)N(C)C)cc1 19581452 KNWLPRYBXPLJMY-UHFFFAOYSA-N 328.372 1.108 0 40 EDAB O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(O)CC1 4374273 SDBVLSQPAOOPFK-LBPRGKRZSA-N 337.807 1.612 0 40 EDAB Cn1nnc2c(N3CCN(C(=O)CCC4CCCC4)CC3)ncnc21 13532403 VONNOLSBABMEHD-UHFFFAOYSA-N 343.435 1.377 0 40 EDAB Cn1ccnc1N1CCN(CC(=O)N2CCCc3ccccc32)CC1 13694327 ZMXRHDPXCJIHCE-UHFFFAOYSA-N 339.443 1.522 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1nc2ccc(Cl)cc2[nH]1 584906847 VQEIUEVVNYSTBA-BDAKNGLRSA-N 341.820 1.828 0 40 EDAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)c4cn[nH]c4)C[C@H]3C2)nn1 1888843111 HTYPZQXRIAFGQI-ZIAGYGMSSA-N 340.431 1.706 0 40 EDAB O=C1[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C(=O)N1c1ccccc1 1888854057 FXNUZVJQUSVWLK-GJZGRUSLSA-N 334.379 1.980 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)no1 1888863818 YZFKTQQGRIBLEA-GHMZBOCLSA-N 347.350 1.135 0 40 EDAB CC(=O)Nc1cnn([C@@H]2CCN(C(=O)c3cccc(N(C)C)c3)C2)c1 1888869637 ZBEQHPWJWJKHLU-QGZVFWFLSA-N 341.415 1.995 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCOc2ccccc21 23887241 JPZZLBKBTIQDAB-ZIAGYGMSSA-N 338.429 1.441 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCCN([C@H]2CCOC2)CC1 1565522088 PWQAVQLQGOVCFN-WMLDXEAASA-N 332.400 1.150 0 40 EDAB CC(C)N1CCO[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)CC[C@H]2C1 1565547931 UDWXRVXJSYXBKF-DZGCQCFKSA-N 340.855 1.494 0 40 EDAB C[C@@H]1CCc2c(sc(NC(=O)CN3C(=O)CCC3=O)c2C(N)=O)C1 4078733 FKPHOQKQFLAVMF-MRVPVSSYSA-N 349.412 1.059 0 40 EDAB NC(=O)CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1 4851258 HPOWMDVVMHEQTB-UHFFFAOYSA-N 327.366 1.899 0 40 EDAB Cn1cc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)CC2)nn1 1775966079 SBIIAHSXQSCYQI-UHFFFAOYSA-N 342.403 1.414 0 40 EDAB Cn1ccc(CN2C[C@@H]3CN(c4ncccc4F)C[C@H]3C2)cc1=O 2086850131 GLDCBPGZYQFAJV-HUUCEWRRSA-N 328.391 1.488 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CC[C@@H](Oc3ncccn3)C2)c1 575611152 UYKLFJFYHQNUME-GFCCVEGCSA-N 337.405 1.096 0 40 EDAB O=C1COC(=O)N1CCNS(=O)(=O)c1cccc2ccccc12 575617576 XFJQEBCWSYSNSC-UHFFFAOYSA-N 334.353 1.097 0 40 EDAB C[C@@H]1CN(C(=O)CN2CCC[C@@H](COc3cnccn3)C2)C[C@@H](C)O1 2298048294 NKQYWSXOUNGLJV-BZUAXINKSA-N 348.447 1.203 0 40 EDAB NC(=O)c1ccc(NCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1 73099213 DAPLVTQTUSIKBK-UHFFFAOYSA-N 349.394 1.700 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CCCN(C(N)=O)C2)c(C)c1 25041293 YVNLCMUYRUNFGP-CQSZACIVSA-N 346.431 1.457 0 40 EDAB COc1ccc(CN(C)S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1F 40488026 PGSLYFLHYYFAFN-VXGBXAGGSA-N 346.424 1.620 0 40 EDAB CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 100619191 JFXHUMFYXXUNCT-QWRGUYRKSA-N 335.747 1.029 0 40 EDAB COC(=O)c1cc(C)nc2nc(S)n(CCn3cccn3)c(=O)c12 100862001 WBYLAHBQDMYTGB-UHFFFAOYSA-N 345.384 1.072 0 40 EDAB C[C@H]1CN(CCNC(=O)CCc2nc(C(C)(C)C)no2)C[C@@H](C)O1 40516190 BWVKQUNKPGPLEM-BETUJISGSA-N 338.452 1.525 0 40 EDAB O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc(=O)[nH]n1 40541801 VFPDLEHUDRUSFG-UHFFFAOYSA-N 327.262 1.641 0 40 EDAB Cn1c2ccc(F)cc2c2ncn(CCN3CCOCC3)c(=O)c21 20503818 CSTIRLFYRZEKCJ-UHFFFAOYSA-N 330.363 1.360 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccc(OC(C)=O)cc2)S1 281000 IYNMLUAXIBSRAF-OAHLLOKOSA-N 335.385 1.787 0 40 EDAB O=C(CN1CCC(N2CCNC2=O)CC1)N1CCc2sccc2C1 52214722 ZMXYMRGPMLQGIX-UHFFFAOYSA-N 348.472 1.122 0 40 EDAB COc1ccc2c(c1)CCCN(C(=O)N[C@@H]1CCS(=O)(=O)C1)C2 69847210 YTXHNXCFEWUQIL-CQSZACIVSA-N 338.429 1.340 0 40 EDAB CCOC(=O)[C@@H](C)NC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 53240938 CRKFHBNWLXAIQM-CYBMUJFWSA-N 345.399 1.854 0 40 EDAB CN1C[C@@H](C(=O)NCc2ccnc(OCc3ccccc3)c2)CC1=O 46851894 IGMCLNIPFXSTBQ-INIZCTEOSA-N 339.395 1.755 0 40 EDAB COc1cccc2c(C)c(C(=O)N3CCN(C[C@@H](C)O)CC3)oc12 69875066 LUVKZEMCLRXWPA-GFCCVEGCSA-N 332.400 1.888 0 40 EDAB CN(C)C[C@H]1CN(CCC(=O)N2CCc3sccc3C2)CCO1 69819113 LAIZZLWMWDWMHU-HNNXBMFYSA-N 337.489 1.285 0 40 EDAB CCn1nc(C)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O 76498089 WLOLZOJZNIPOJJ-TZMCWYRMSA-N 327.450 1.639 0 40 EDAB CCC1(C(=O)c2ccccc2)C(C(=O)OC)=NC(=N)N=C1C(=O)OC 1588100 YTVAZUUMVKGQPB-UHFFFAOYSA-N 343.339 1.442 0 40 EDAB CCOc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12 1669753 LCGZDSZETRKQQN-UHFFFAOYSA-N 348.354 1.438 0 40 EDAB Cn1c(=O)c2c(nc(OCCCCc3ccccc3)n2C)n(C)c1=O 1712871 ZGQWBEXVWYJPHA-UHFFFAOYSA-N 342.399 1.372 0 40 EDAB Cc1nnc(CNC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)n1C 78986315 GOMAGMZJPCAYIE-INIZCTEOSA-N 345.422 1.934 0 40 EDAB CCCN1CCC[C@H]1C(=O)N1CCCN(Cc2nccn2C)CC1 69901552 IDGODAUJJKLRRQ-INIZCTEOSA-N 333.480 1.329 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)NC[C@H]2CCN(C3CC3)C2)C1 79457128 HEBYERWVTKARJH-HZPDHXFCSA-N 348.491 1.419 0 40 EDAB COc1cccc([C@@H](CNC(=O)C2=NN(C)C(=O)CC2)N(C)C)c1 41951844 KQDIDWPWVJYEAU-OAHLLOKOSA-N 332.404 1.022 0 40 EDAB O=C(Nc1ccccc1)N[C@@H]1OC(=O)C(N2CCOCC2)=C1Cl 3172085 INZIVESOXRWUSO-CYBMUJFWSA-N 337.763 1.474 0 40 EDAB O=C(CCCNc1ncccn1)N1CCN(c2ccccn2)CC1 42212021 VSMRCBYLSQFTBG-UHFFFAOYSA-N 326.404 1.413 0 40 EDAB CN(C)CCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 10111570 GIRFOSOJBPYNCP-UHFFFAOYSA-N 349.456 1.284 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cn1 102768566 ARCFSNWHZXGLEE-BFYDXBDKSA-N 344.459 1.825 0 40 EDAB O=C(CCn1cncn1)NCc1ccc(NC(=O)c2ccco2)cc1 24030814 MVGAJCJHMWAXFG-UHFFFAOYSA-N 339.355 1.830 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16CCCC[C@@]56[C@H]2[C@H]43 104280525 OZWFRSGCPORMHG-OFUAFVKMSA-N 333.391 1.963 0 40 EDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCC[C@H]1CCCO1 24433167 KEXWGUPXEHJJPM-CYBMUJFWSA-N 342.417 1.501 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 24728330 WIJUWZCAIVSHCX-JSGCOSHPSA-N 336.363 1.955 0 40 EDAB CN(CC(=O)N1CCNC1=O)Cc1ccccc1OC(F)(F)F 25246209 NLRCEETWQHDNKL-UHFFFAOYSA-N 331.294 1.569 0 40 EDAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3C)C2=O)CC1 9288912 CBVAXCUXFRGPMX-INIZCTEOSA-N 344.411 1.902 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@@H]1N1CCOCC1 107323379 HLKADKIADSLXSB-BBWFWOEESA-N 334.464 1.630 0 40 EDAB CCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cc1 108242224 GGRZJYQOUIFMCX-CYBMUJFWSA-N 325.386 1.560 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)NCc2ccccc2)cc1 12607303 LFBAMNPBWZBULK-UHFFFAOYSA-N 327.384 1.811 0 40 EDAB CN(C(=O)NCc1ccc(-c2ccn[nH]2)cc1)[C@@H]1CCS(=O)(=O)C1 48261960 IIDBRECNVVJNKZ-CQSZACIVSA-N 348.428 1.405 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 48274988 IWGMUCDPBTYHSB-PHIMTYICSA-N 332.447 1.001 0 40 EDAB COc1ccc(/C=C/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1OC 1810585 OQANTSMSTMYFQA-VUDGCMKMSA-N 339.413 1.363 0 40 EDAB CCC1(CC)NC(=O)N(CCCS(=O)(=O)c2ccccc2)C1=O 58060387 YEHKOYNUDLJZTG-UHFFFAOYSA-N 338.429 1.961 0 40 EDAB COC(=O)C12C3(C(=O)OC)[C@@]45C=C[C@]1(CC[C@]21C=C[C@@]3(CC4)O1)O5 100759327 ZRMNJZIXDIHSBJ-GPNCCUPLSA-N 330.336 1.048 0 40 EDAB CN1CCN([C@H](c2ccc(F)cc2)c2sc3ncnn3c2O)CC1 22031263 WMPHJINAYRNBLU-CYBMUJFWSA-N 347.419 1.972 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1 44893979 OHSQQTFGTRRSRZ-UHFFFAOYSA-N 344.440 1.742 0 40 EDAB COC(=O)[C@@H]1[C@@H]2C(=O)N([C@H](C)c3ccc(OC)cc3)C[C@@]23C=C[C@H]1O3 100634891 NNCKSAGIHJUGAY-KQBQCQLESA-N 343.379 1.711 0 40 EDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1 44938804 HFRRCNZTUCTTFK-VIFPVBQESA-N 326.349 1.530 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCCN(C[C@@H]2CCCO2)CC1 44916221 POGLAFUFYBYQAT-HNNXBMFYSA-N 340.427 1.957 0 40 EDAB COC(=O)c1oc(CN2CCC[C@H](CNS(C)(=O)=O)C2)cc1C 44977481 VUZYCQTTXKDPCI-GFCCVEGCSA-N 344.433 1.136 0 40 EDAB O=C(O)CCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3 2106758 PFIIVDKMOPDJTC-UHFFFAOYSA-N 345.351 1.642 0 40 EDAB biogenic Cc1cccc(C)c1NC(=O)CN(C)CC(=O)NCC(F)(F)F 3357492 KCPYDWUWGBCBPL-UHFFFAOYSA-N 331.338 1.852 0 40 EDAB CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 2191128 MNOBZMFLHLHJPO-SNVBAGLBSA-N 328.390 1.265 0 40 EDAB Cc1sccc1C(=O)N1CCC2(CC1)CC(NS(C)(=O)=O)C2 108535929 ZHIBFFYBEXYWNV-UHFFFAOYSA-N 342.486 1.991 0 40 EDAB O=S(=O)(NCc1ccnc(N2CCOCC2)c1)c1cccs1 28054033 BNBBDFVJRZVDNQ-UHFFFAOYSA-N 339.442 1.458 0 40 EDAB O=C(NC1CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12800134 YDPTWYOCGGBOCM-UHFFFAOYSA-N 343.836 1.518 0 40 EDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(Cc2cc(C)nn2C)C3)n1 306124490 BRLKVKVDOLQYRB-MRXNPFEDSA-N 343.431 1.639 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H](C)C2)cc(S(=O)(=O)N(C)C)c1C 11496687 CYNZOUAAEPBPGU-GFCCVEGCSA-N 340.445 1.415 0 40 EDAB Cc1ccccc1-n1c(C)nnc1SCC(=O)N1CCOCC1 3424676 CUYMSVMIFYDOBV-UHFFFAOYSA-N 332.429 1.835 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1csc(-c2ccc(C)o2)n1 29704234 VIFNBKRUUHOLCT-LBPRGKRZSA-N 349.412 1.575 0 40 EDAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OC)cc1OC 4111547 GZWWMWCQJFFGBB-ZDUSSCGKSA-N 331.332 1.152 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 6108244 MJMHXDRWMDASNZ-LJQANCHMSA-N 343.427 1.715 0 40 EDAB CCCCNC(=O)COCC(=O)N1CCN(c2ccccc2)CC1 13943983 WZMYZFHUFHQPHJ-UHFFFAOYSA-N 333.432 1.268 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)N[C@@H]1CCc2nccn2C1 65474976 BVXOUNVMCXZKPS-CYBMUJFWSA-N 337.383 1.114 0 40 EDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(SC)cc2)c1 14198326 KIRXPCWLJGGNAN-UHFFFAOYSA-N 332.381 1.996 0 40 EDAB Cc1c(NC(=O)[C@H]2COc3ccccc3O2)cccc1-n1cnnn1 14169479 CRUJIOZVRMEAGY-MRXNPFEDSA-N 337.339 1.749 0 40 EDAB O=S(=O)(Cc1nc(-c2ccco2)no1)C[C@@H](O)c1ccccc1 65650142 PBYNUEPUJOXUOU-GFCCVEGCSA-N 334.353 1.978 0 40 EDAB NC(=O)N[C@@H](CC(=O)NCc1ccc2c(c1)OCO2)c1cccs1 14202901 CJLKPVBTNOFKPE-NSHDSACASA-N 347.396 1.893 0 40 EDAB CCc1cc(=O)oc2cc(OCC(=O)NCCCN(C)C)ccc12 6658664 GBFIVYWVVRMEPJ-UHFFFAOYSA-N 332.400 1.802 0 40 EDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(F)c(Cl)c1 9156299 CTZZBYRRVJDBQL-RXMQYKEDSA-N 342.787 1.948 0 40 EDAB CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@H]1C2 306126105 DNACZGGXNRWKSQ-ZIAGYGMSSA-N 343.406 1.471 0 40 EDAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1COc2ccccc2O1 67620211 CKZGQLWTWQHTEQ-BBRMVZONSA-N 332.400 1.686 0 40 EDAB Cc1cc(N2CCC[C@H](N3CCN(C(=O)C(C)C)CC3)C2=O)n(C)n1 96002479 GEGBZPKGUFVIOK-HNNXBMFYSA-N 347.463 1.024 0 40 EDAB CS(=O)(=O)CCC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 71886305 FDDBZZZLOCASOU-LBPRGKRZSA-N 345.392 1.757 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2Cn2cncn2)o1 71878744 MVRDUVJNSGNYJC-OAHLLOKOSA-N 331.420 1.693 0 40 EDAB CCS(=O)(=O)NCCNC(=O)/C=C(\C)c1ccccc1Cl 96257447 SKEAUBQCBURIHO-ZHACJKMWSA-N 330.837 1.799 0 40 EDAB O[C@H](COc1ccc(F)cc1)CN1CCCC[C@@H]1Cn1cncn1 71876296 GVMYEGUCTUAROH-CVEARBPZSA-N 334.395 1.712 0 40 EDAB CN1C[C@H](NC(=O)CCc2ccc(Br)cc2F)CC1=O 69453443 AQKTUINMJZSQRJ-LLVKDONJSA-N 343.196 1.868 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3cccc4c3OCCO4)CCO2)c1 69587639 VVSGRXQTXQRTDW-MRXNPFEDSA-N 329.400 1.864 0 40 EDAB O=C([C@H]1CSCN1C(=O)C1CCC1)N1CCCN2CCC[C@@H]2C1 69534351 TTZBCSVSHRGCBU-HUUCEWRRSA-N 337.489 1.385 0 40 EDAB O=C(CN1C(=O)CCCc2ccccc21)NCCC(=O)N1CCCC1 69564888 PJNLFDQMWXAKIR-UHFFFAOYSA-N 343.427 1.485 0 40 EDAB CC(C)C(=O)N1CCCN(Cc2nnnn2-c2ccccc2)CC1 69609368 ZOJJJFOIBMFCAW-UHFFFAOYSA-N 328.420 1.353 0 40 EDAB Cc1cccc(CS(=O)(=O)NC2CCN(c3ncccn3)CC2)c1 69777441 RGXFSHBCYQIMJI-UHFFFAOYSA-N 346.456 1.873 0 40 EDAB Cc1cc(C(=O)N2CCn3c(C)nnc3C2)ccc1N1CCNC1=O 69706013 QYZUGOMISDEXIY-UHFFFAOYSA-N 340.387 1.081 0 40 EDAB CCn1cc(C(=O)NC[C@@H](Cc2ccccc2F)C(=O)OC)cn1 95397181 RYVCTIYSGOBAHO-CYBMUJFWSA-N 333.363 1.804 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCN([C@@H]2CCC[C@H]2O)CC1 72268918 QMBKXVNJXWUULS-HUUCEWRRSA-N 332.400 1.129 0 40 EDAB C[C@H]1CN(CC(=O)N2CCO[C@H](C)C2)CCN1C(=O)OC(C)(C)C 72296465 XZXHTOIMPXNPOI-UONOGXRCSA-N 341.452 1.175 0 40 EDAB CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccccc2)cn1 72284257 XXNYAZNNZIEGFL-UHFFFAOYSA-N 349.412 1.652 0 40 EDAB Cn1cc(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)cn1 97107862 FQAMKUALHVHUOQ-UHFFFAOYSA-N 328.416 1.801 0 40 EDAB Cn1cc(C[C@@H]2CCN(C(=O)NCCOc3cccnc3)C2)cn1 84318191 CQNQPBURUIFEOG-AWEZNQCLSA-N 329.404 1.468 0 40 EDAB O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccncc1F 95431023 NVOOIVSDEPDUIK-HNNXBMFYSA-N 329.375 1.370 0 40 EDAB O=S(=O)(c1ccc(CN[C@@H]2CCOC2)s1)N1CCCCC1 88694920 IKOWKEOLKINLHD-GFCCVEGCSA-N 330.475 1.801 0 40 EDAB C[C@H](CN(C)S(=O)(=O)c1cccc2ccccc12)c1nnn[nH]1 95941935 QCZOTDITFVTMDK-LLVKDONJSA-N 331.401 1.777 0 40 EDAB CN1CC[C@@H](NC(=O)c2nccnc2N)[C@@H]1c1ccc(F)c(F)c1 95979722 OZXXLGFRSVSDKG-OCCSQVGLSA-N 333.342 1.512 0 40 EDAB COc1cccc([C@@H]2CCCN2CC(=O)N2CCN(C(C)=O)CC2)c1 9903128 LQHMKHHATDYFTD-SFHVURJKSA-N 345.443 1.523 0 40 EDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(C)Cc1nc(C)n[nH]1 75144517 HBFQUGWCFQGTBD-MRXNPFEDSA-N 341.415 1.608 0 40 EDAB Cn1nccc1CNC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 89741124 CTNYRFVWDLKUSY-LLVKDONJSA-N 334.811 1.547 0 40 EDAB NC(=O)CN1CCN(c2ccc3cccc(Br)c3n2)CC1 89807913 YVGZVYDYDWCCGH-UHFFFAOYSA-N 349.232 1.605 0 40 EDAB C[C@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCC(=O)N3)cc2)C[C@@H](C)O1 75864104 CXIHZAZYKIBPGV-VBQJREDUSA-N 345.443 1.191 0 40 EDAB NC(=O)C(=O)c1cn(CC(=O)NCCc2ccccc2)c2ccccc12 408568594 IBSADZQHPGMQNJ-UHFFFAOYSA-N 349.390 1.668 0 40 EDAB O=C(NCc1ccccn1)C(=O)Nc1ccccc1C(=O)NC1CC1 408707487 CALYBBAMNRUGSJ-UHFFFAOYSA-N 338.367 1.229 0 40 EDAB COc1ccc(-c2cc(=O)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1OC 61718075 ULXXBQZJBPMDTN-NSHDSACASA-N 338.385 1.220 0 40 EDAB CCOC(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409381285 FDYAIOMNHOBMFG-KYZVSKTDSA-N 345.351 1.846 0 40 EDAB COCCN1C[C@H](C(=O)O[C@H](C)c2ccc3c(c2)OCCO3)CC1=O 78442483 FZAKHNIQADZHRL-TZMCWYRMSA-N 349.383 1.557 0 40 EDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 218095481 LFYXCTKVCKRHEA-BZSNNMDCSA-N 347.436 1.572 0 40 EDAB CCCCNC(=O)Cc1noc(C2CCN(C(=O)N(C)C)CC2)n1 78773529 ODRQKEFWUKBIMG-UHFFFAOYSA-N 337.424 1.389 0 40 EDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 39918211 LBOPDVYEAJJACY-AWEZNQCLSA-N 333.432 1.506 0 40 EDAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NCCOC)c(C(=O)O)c1 217658073 IWJVBZGSWNLOLX-LLVKDONJSA-N 344.433 1.910 0 40 EDAB Cn1ccnc1C(=O)c1cccc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)c1 71287476 RKOUCSADBRNTOC-CHWSQXEVSA-N 341.367 1.946 0 40 EDAB Cc1cc(C)nc(Nc2cncc([C@H]3CCCN(CC(N)=O)C3)n2)n1 72360943 YEIQSPZNJFTKIN-ZDUSSCGKSA-N 341.419 1.292 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 223394617 GZEZIGWHDXHPOX-YOEHRIQHSA-N 341.411 1.954 0 40 EDAB CC(C)c1noc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)n1 225527812 AJQSOFASWJDKOJ-UHFFFAOYSA-N 342.355 1.496 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)[C@@H]2NCCc3ccccc32)CC1 195543374 QTBUAMXDMFFJAL-QGZVFWFLSA-N 329.444 1.637 0 40 EDAB Cc1n[nH]c(SCC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)n1 81474982 MCMVNNFVWPEPAA-DGCLKSJQSA-N 331.445 1.989 0 40 EDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)NCc1nnnn1C1CC1 83735950 YTBRVCZKKYZJGP-LBPRGKRZSA-N 341.419 1.558 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)CN2CCC3(CC2)OCCO3)c1C 40511247 AQBKPCIOANZJRA-UHFFFAOYSA-N 336.388 1.440 0 40 EDAB CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)C1CC=CC1)CC2 96217756 NPTHDVUEJCLEEN-IBGZPJMESA-N 333.476 1.888 0 40 EDAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)cn1 96184624 IZZBQOFRWPESHM-JKSUJKDBSA-N 330.457 1.900 0 40 EDAB O=C(c1cccnc1)N1CCOC[C@@]2(CC[C@@H](CN3CCCC3)O2)C1 96063367 NFNUESOEHBMQSB-PKOBYXMFSA-N 345.443 1.568 0 40 EDAB Cc1cccc(-c2nnn3c2CO[C@@H](CNC(=O)[C@H]2CCCO2)C3)c1 96199299 DWULOSZHUSKKAG-GOEBONIOSA-N 342.399 1.448 0 40 EDAB Cc1ccc(C(=O)N2C[C@H](OCCN(C)C)[C@H]3OCCC[C@H]32)cc1 96187023 MTDVKHVITFZQEI-SQNIBIBYSA-N 332.444 1.945 0 40 EDAB C[C@H](CCc1cccn1C)NC(=O)NC[C@H]1CCS(=O)(=O)C1 96437709 JPEATWXNBPUUDD-CHWSQXEVSA-N 327.450 1.080 0 40 EDAB O=C(OC[C@@H]1CCCN1)c1cccc(NC(=O)c2cccc[n+]2[O-])c1 95427906 HHVHHGIRYCQDKO-HNNXBMFYSA-N 341.367 1.481 0 40 EDAB CC(=O)N1C[C@H](NC(=O)c2ccn(C)c(=O)c2)CC[C@@H]1C(F)(F)F 583620017 JHTOQKBEGIZSNF-VXGBXAGGSA-N 345.321 1.057 0 40 EDAB COC(=O)C[C@H](c1cccnc1)c1c(O)nc2cc(C)ccn2c1=O 96115959 DZQWHVLYHLDPMF-CYBMUJFWSA-N 339.351 1.799 0 40 EDAB biogenic O=C(C1CCOCC1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 96062497 MUBJTDONWGAHMT-IBGZPJMESA-N 345.443 1.564 0 40 EDAB Cc1cc(NCCNC(=O)[C@H]2C[C@@H]2c2ccco2)n2ncnc2n1 96448356 NCYYLGHZIJKNRS-RYUDHWBXSA-N 326.360 1.358 0 40 EDAB CN1C[C@H](c2ccccc2)[C@]2(CCN(C(=O)N3CCOCC3)C2)C1=O 96063636 NABKHRMWGINYSO-VQIMIIECSA-N 343.427 1.387 0 40 EDAB O=C(C1CC1)N1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244296 FXBSJQJKHFXKMO-LJQANCHMSA-N 336.395 1.949 0 40 EDAB Fc1cnc(N2CCOC3(CCN(Cc4ccncc4)CC3)C2)nc1 96049010 PFTGWGWGGMICMJ-UHFFFAOYSA-N 343.406 1.882 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1 247881486 VWBWPPYTUIBBEG-HNNXBMFYSA-N 340.383 1.462 0 40 EDAB CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cc(=O)c2ccccc2n1C 585089387 JEFPKHOEHFAZQM-RYUDHWBXSA-N 330.384 1.856 0 40 EDAB Cc1ccc(CN2Cc3ccnn3[C@H](CC(=O)N3CCCO3)C2)o1 248126327 XBJRRNKCJCCSDU-OAHLLOKOSA-N 330.388 1.895 0 40 EDAB CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 585123835 DNUKGACTDPLVGS-IAQYHMDHSA-N 331.434 1.144 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1c1csc(Nc2ncccn2)n1 257220762 DMARCIWISCBUNM-JTQLQIEISA-N 325.419 1.773 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)C3(N)CCCC3)CCO2)n1 257240207 HSNUGCOWZKATAK-INIZCTEOSA-N 332.448 1.627 0 40 EDAB Fc1cnc(N2CCOCC2)nc1CC1CC2(CNCCOC2)C1 257315116 UZYWXLPXVJZGRL-UHFFFAOYSA-N 336.411 1.011 0 40 EDAB COc1ccccc1[C@H]1CN(C(=O)C2CCN(C)CC2)CCN1C 257314921 UZDYGDWCOMAXME-QGZVFWFLSA-N 331.460 1.852 0 40 EDAB COc1ccc(CN2CCc3c(O)nc([C@@H]4CCNC4)nc3C2)cc1 257261112 LFTHNAQUUOAKLC-CQSZACIVSA-N 340.427 1.826 0 40 EDAB O=C(CCn1nnc2ccccc21)N1CCO[C@@H](c2cnccn2)C1 257326253 WWMJSGPFWIHUNC-MRXNPFEDSA-N 338.371 1.212 0 40 EDAB CNc1cc(C)nc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)c1 257290534 QDISTQUFOXHAHQ-KRWDZBQOSA-N 343.431 1.927 0 40 EDAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccc(F)c2)n1 604382225 LPFMDDXDHJBZDB-NCXUSEDFSA-N 345.418 1.614 0 40 EDAB biogenic,in-vitro CC(=O)N1c2ccccc2O[C@@H]2CC[C@@H](NC(=O)C(C)C)[C@@H](O)[C@@H]21 257212686 CENPVGWCAMTRKH-BASLNEPJSA-N 332.400 1.465 0 40 EDAB CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 263585283 GZYUXKVCNFJXRU-XHSDSOJGSA-N 345.443 1.345 0 40 EDAB biogenic COC(=O)[C@H]1CCN(C(=O)c2ccc(F)c(C)c2)[C@@H](C(=O)OC)C1 272682218 MFRQFCKCROMBFR-GXTWGEPZSA-N 337.347 1.701 0 40 EDAB C[C@@]1(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CCC(=O)NC1 281614827 XGXYIVGVXNMEMK-MUPIXQSSSA-N 341.455 1.760 0 40 EDAB CCn1ncc(CN[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]2CCOC)n1 1615571159 GETWPSUYVDCHMS-UONOGXRCSA-N 339.440 1.412 0 40 EDAB C[C@@H]1CCC[C@H]1S(=O)(=O)NCc1ccnc(N2CCOCC2)c1 1615614228 OHQWKDYUWMIKSR-UKRRQHHQSA-N 339.461 1.526 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCO[C@H](c2ccccc2)C1 96025657 QTTWJCUPXAMBBU-HNNXBMFYSA-N 335.429 1.799 0 40 EDAB CC(=O)OCC(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390829948 HQBRRODJILBVJT-CQSZACIVSA-N 343.376 1.077 0 40 EDAB COc1cccc(N2CC[C@@H](CNC(=O)CCN3CCOC3=O)C2)c1 69484592 UYNZRHXHMYETPJ-AWEZNQCLSA-N 347.415 1.480 0 40 EDAB COCCN1C[C@]2(COCCN(Cc3ccccc3C)C2)CC1=O 585104960 WPDORFUJZGDTQN-IBGZPJMESA-N 332.444 1.692 0 40 EDAB O=C(NCC1(OCCO)CCCC1)c1cncc(Br)c1 888107059 VBFPTUGVLJWLLO-UHFFFAOYSA-N 343.221 1.896 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)NCc2cc[nH]n2)CC1 48300952 YSBNYDZZDPARGK-UHFFFAOYSA-N 329.404 1.840 0 40 EDAB O=C(c1cnc2ccccc2n1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1066036750 KBSPKDZVIUJWGQ-OKILXGFUSA-N 346.394 1.628 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(O)cc3C2)C1=O 52866329 CYSWHERQBRPGMU-UHFFFAOYSA-N 345.399 1.388 0 40 EDAB Cc1cc(NC(=O)C(=O)N[C@@H](C)c2cc(F)c(F)c(F)c2)n(C)n1 77760935 MEFGSVNPQZJTQC-QMMMGPOBSA-N 340.305 1.962 0 40 EDAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NC[C@@H]1CCCO1)CS2 85473836 SXVXBWBBJDFGSJ-RYUDHWBXSA-N 337.445 1.131 0 40 EDAB O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC(O)CC1 96410026 CXQICINSESIHQH-UHFFFAOYSA-N 331.460 1.572 0 40 EDAB CO[C@H](CNC(=O)N[C@H]1C[C@H](O)[C@H](O)C1)c1cccc(Cl)c1 1615057944 WESOFLGWWCPWIX-YIYPIFLZSA-N 328.796 1.211 0 40 EDAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(C2COC2)C1 1615154076 DGVCLCXFYVIQKR-JTQLQIEISA-N 332.429 1.581 0 40 EDAB CC(C)[C@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1)C(=O)O 5244091 NJSOWTUKQDZKML-HNNXBMFYSA-N 334.420 1.669 0 40 EDAB Cn1nccc1CN1CCC(c2nnsc2S(C)(=O)=O)CC1 12121344 SQNFYAWINNUWRO-UHFFFAOYSA-N 341.462 1.055 0 40 EDAB NC1=NN(c2ccc(Oc3ccccc3)cc2S(=O)(=O)O)C(=O)C1 16490816 IUZWBGHGOLTNBU-UHFFFAOYSA-N 347.352 1.735 0 40 EDAB O=C1CN(C(=O)CSc2ncccc2C(=O)O)c2ccccc2N1 16524929 LMQHKROINFLFOZ-UHFFFAOYSA-N 343.364 1.857 0 40 EDAB O=C(NCCn1nc([C@H]2CCNC2)c2cccnc21)c1ccccn1 19400361 AXHYTVRWSQWVNT-ZDUSSCGKSA-N 336.399 1.333 0 40 EDAB CCCn1c(N)c(C(=O)CN(C)Cc2ccc(C)cc2)c(=O)[nH]c1=O 6787531 UQSIGKPRJARWOR-UHFFFAOYSA-N 344.415 1.152 0 40 EDAB Cc1nccnc1N1CCN(c2ccnc(N3CCCC3)n2)CC1 1889077222 NIPXXWQCVUULCL-UHFFFAOYSA-N 325.420 1.502 0 40 EDAB CCOC(=O)C1=C(CN2CCC[C@@H](C(F)(F)F)C2)NC(=O)NC1 19532054 DTPZLENRBVEAMI-SECBINFHSA-N 335.326 1.391 0 40 EDAB O=C1NC2(CCSCC2)C(=O)N1Cc1cn(CC2CCC2)nn1 2086918821 YERYJQLIOMAWIG-UHFFFAOYSA-N 335.433 1.396 0 40 EDAB COCCN1C[C@@H]2CN(C(=O)c3ccc(OC)cc3C)C[C@@H]2C1=O 1565555115 SKDQHLJZHUSPDW-CJNGLKHVSA-N 332.400 1.180 0 40 EDAB CN(C)c1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 5353662 WRONJNGSCRVUBD-OAHLLOKOSA-N 347.415 1.493 0 40 EDAB Cc1cccc(CN[C@@H]2CCc3onc(CN4CCOCC4)c3C2)n1 2055734692 LRDCFSBOMQRQAR-OAHLLOKOSA-N 342.443 1.857 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2ccccc2F)C1 2055772188 FQSAOBGRRBGMJQ-GOSISDBHSA-N 344.390 1.329 0 40 EDAB Cc1csc(C(=O)N2Cc3[nH]nc(COCC(=O)N(C)C)c3C2)c1 2055713434 OQQNXHQBAFPVMD-UHFFFAOYSA-N 348.428 1.540 0 40 EDAB COCCN1CN=C(Nc2nc(C)c3cccc(OC)c3n2)NC1 19330333 ORCAFMSLHPGOEQ-UHFFFAOYSA-N 330.392 1.181 0 40 EDAB COc1ccc(CCC(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1 217782251 NLJBWOLAAGWWID-ZDUSSCGKSA-N 348.424 1.924 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N(C)C[C@@H]1Cc2ccccc2CO1 225791078 IJYPXOLNAFKBPI-INIZCTEOSA-N 349.456 1.799 0 40 EDAB O=C([C@H]1CN(c2nc3ccccc3[nH]2)CCO1)N1CCSCC1 2298051557 GONBEGFJELISLC-CQSZACIVSA-N 332.429 1.344 0 40 EDAB Cn1cc(-c2cncc(N3CCN(C[C@@H]4CCCOC4)CC3)n2)cn1 2298181574 VBPQSUHFPPIAQR-HNNXBMFYSA-N 342.447 1.426 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cnc3c(cnn3C(C)C)c2)CC1 40487827 QQZDTWCJNSWDTR-UHFFFAOYSA-N 329.404 1.707 0 40 EDAB Cc1ccccc1CC(=O)N1CCCN(CC(=O)NC(C)(C)C)CC1 40481342 QZJSTGORRUPECX-UHFFFAOYSA-N 345.487 1.987 0 40 EDAB CN(C)c1ccc(NC(=O)N2CCC(CN3CCOCC3)CC2)cn1 40554850 UZMHVIDWNVUMDA-UHFFFAOYSA-N 347.463 1.724 0 40 EDAB CC(C)COC[C@@H](O)CNc1ccc2nnc(C(F)(F)F)n2n1 40542954 MZKDBYQFXKFXCU-VIFPVBQESA-N 333.314 1.589 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCCN(C[C@H]2CCCO2)CC1 40505214 DQPPQLCDYKFREI-CQSZACIVSA-N 328.416 1.890 0 40 EDAB O=C1NCCN1C1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 51449937 MSKCSJBSBJFPEM-OAHLLOKOSA-N 337.395 1.055 0 40 EDAB CC(=O)Nc1ccc(OC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 32754507 AEVMIERBBOEEAP-AWEZNQCLSA-N 340.401 1.365 0 40 EDAB Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](C)c1nnc2ccccn12 32836106 UABCOEMIYZCCRC-JTQLQIEISA-N 326.360 1.140 0 40 EDAB CC(C)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 21872497 BRJQBMDRQMJTRW-SNVBAGLBSA-N 334.388 1.794 0 40 EDAB Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cn1 413177 IUPDWMUZBVKRGM-UHFFFAOYSA-N 334.401 1.724 0 40 EDAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccn3)ccc21 428730 LAQQCWUMCAKOAA-UHFFFAOYSA-N 345.424 1.859 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCO[C@H]2CCC[C@H]21 53381922 TWQYKAYEOWRJLY-MNOVXSKESA-N 335.385 1.345 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 46889275 XERPVJVCIRQIDI-GFCCVEGCSA-N 332.379 1.666 0 40 EDAB C[C@@H](NC(=O)N(C)Cc1ccc2c(c1)OCCO2)c1nncn1C 46962730 DIGCULPEIULMRW-LLVKDONJSA-N 331.376 1.489 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 47028054 BXYURNHWOBVTIC-PMPSAXMXSA-N 336.436 1.641 0 40 EDAB Cc1ccc(CC(=O)N2CCO[C@H](c3nc(C(C)(C)C)n[nH]3)C2)cn1 78890074 JOORZFMNOLHPSR-AWEZNQCLSA-N 343.431 1.948 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C(=O)CCc3ccccn3)C2)n[nH]1 78901306 SCCHSGKTAXQSEO-LBPRGKRZSA-N 327.388 1.242 0 40 EDAB C[C@](O)(CNC(=O)NCC[S@](=O)c1ccccc1)c1ccco1 78942122 YKEQSSJOEPZLRK-QMHKHESXSA-N 336.413 1.594 0 40 EDAB O=C(Cc1ccccc1F)NC1CCN(CC(=O)NC2CC2)CC1 53478780 KUBDEBGBAMGHPW-UHFFFAOYSA-N 333.407 1.227 0 40 EDAB CCOc1ccccc1NCC(=O)N[C@]1(C)CCS(=O)(=O)C1 22893968 LLAZBPGZEIGHIZ-OAHLLOKOSA-N 326.418 1.191 0 40 EDAB CN(C(=O)CN1CCCc2cccc(F)c21)[C@H]1CCS(=O)(=O)C1 22846554 CZCFIOLVLKIBER-ZDUSSCGKSA-N 340.420 1.224 0 40 EDAB COC(=O)Cn1cc(NS(=O)(=O)c2ccc(F)cc2F)cn1 54040658 NHFQLQSZUFFVNM-UHFFFAOYSA-N 331.300 1.135 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccn2)cc1 6546549 URAGRFVYSFNNAT-CYBMUJFWSA-N 333.413 1.373 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N(CC)CC)cc1 6880371 GSICPDUYTNNKAT-UHFFFAOYSA-N 328.434 1.622 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 42512604 OCLHYQYRBKFMAJ-QWHCGFSZSA-N 330.363 1.580 0 40 EDAB CC(=O)N1CCN(c2nc3ccc(S(C)(=O)=O)cc3s2)CC1 7599542 GXFMASHSZJCQSZ-UHFFFAOYSA-N 339.442 1.368 0 40 EDAB COC(=O)CC1CCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 61722047 KMODFSMWZAJCQV-UHFFFAOYSA-N 330.388 1.626 0 40 EDAB COC(=O)Cc1nc(NC(=O)c2ccncc2)sc1C(=O)OC 61718093 WNRRUOBGELNBJA-UHFFFAOYSA-N 335.341 1.293 0 40 EDAB CCCS(=O)(=O)N1CCO[C@H]2CC[C@H]1[C@H]2Oc1ncccc1F 107722199 XQWFRYRSWPZQRF-MELADBBJSA-N 344.408 1.571 0 40 EDAB O=C(NCCc1cn2ccccc2n1)c1ccnc(-n2cncn2)c1 54675734 DYHUPNISAQKLTN-UHFFFAOYSA-N 333.355 1.283 0 40 EDAB CCCCc1nc(CN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)no1 72300720 GTZFDZYDYJVXNG-MEDUHNTESA-N 335.408 1.222 0 40 EDAB Cc1cc(C)nc(NN[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)n1 100205767 VNGCDMODMDPQGU-ZDUSSCGKSA-N 329.335 1.481 0 40 EDAB Cc1nn2c(=O)cc(COC(=O)COc3ccc(F)cc3)nc2s1 8605524 NGQXPUBBGNYQMZ-UHFFFAOYSA-N 349.343 1.721 0 40 EDAB O=C(Cc1ccccc1C(=O)O)NCc1nc(-c2ccncc2)no1 72400846 KMCWTXKLYFSEAO-UHFFFAOYSA-N 338.323 1.689 0 40 EDAB CNC(=O)C1(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CC1 106024642 WIUVVIAJEXVUJJ-UHFFFAOYSA-N 329.444 1.636 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)NCCCc2ccccc2)C[C@@H]1C 106868010 SRSNPWLPACVKOV-IRXDYDNUSA-N 333.476 1.122 0 40 EDAB C[C@H](O)CN1CCN(Cc2nnc(Cc3ccccc3)o2)C[C@@H]1C 106929167 AGTMPOBCKFKUAE-GJZGRUSLSA-N 330.432 1.547 0 40 EDAB Cc1cc2nc([C@@H](C)NC(=O)c3cc(C)c(C)[nH]c3=O)cc(O)n2n1 100217848 RPZQBONLCCKUGS-LLVKDONJSA-N 341.371 1.539 0 40 EDAB O=C1COc2ccc(S(=O)(=O)NCCc3cccs3)cc2N1 26112460 GBVDQKOKGFAYEF-UHFFFAOYSA-N 338.410 1.600 0 40 EDAB CC(C)C[C@@H]1N=C(N(C)N=O)O[P@]1(=O)NNc1ncccn1 104264636 DXWRZBUIBFOYHX-CLTRCRFRSA-N 327.285 1.958 0 40 EDAB CCc1ccc(C(=O)N2CCN(c3cn[nH]c(=O)c3Cl)CC2)cc1 26726035 PYUHOMVRWGSLMA-UHFFFAOYSA-N 346.818 1.948 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3cc(Cl)ccc3F)CC2)N1 44894588 FOTKTYZAKJZNER-UHFFFAOYSA-N 325.727 1.293 0 40 EDAB CCc1nn2c(=O)cc(CN3CCC(c4cc[nH]n4)CC3)nc2s1 58250806 ZDMOXVJDMOSULB-UHFFFAOYSA-N 344.444 1.816 0 40 EDAB CCSCc1ccc(C(=O)N2CCCN(CC(N)=O)CC2)cc1 58223861 ZVGZFRZIRILPFR-UHFFFAOYSA-N 335.473 1.573 0 40 EDAB O=c1ccnc2sc(NCC3(N4CCOCC4)CCCCC3)nn12 44974456 IJERWZNHBIXGQC-UHFFFAOYSA-N 349.460 1.598 0 40 EDAB Cc1sc2ncn(CCC(=O)N3CCOC[C@H]3C)c(=O)c2c1C 44912349 YKZXOCAUEMDQSF-SNVBAGLBSA-N 335.429 1.712 0 40 EDAB CN(C)C(=O)CCS(=O)(=O)Cc1coc(-c2cccc(F)c2)n1 44938812 YYHSJVYCFSKPMP-UHFFFAOYSA-N 340.376 1.874 0 40 EDAB CN(C)c1cccc(CNC(=O)Cc2ccc(-n3cnnn3)cc2)c1 58357113 HKCMTQTWJRQGEO-UHFFFAOYSA-N 336.399 1.587 0 40 EDAB CONC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 45124672 LQTXYMNDJDAANU-UHFFFAOYSA-N 327.406 1.222 0 40 EDAB Cc1cc(C)cc(CSCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 58693286 DWVGPSSJPGSUSA-CQSZACIVSA-N 327.471 1.840 0 40 EDAB CCOC(=O)CNC(=O)c1cc(-c2ccccc2)nc2ncnn12 36619041 GKVSENLQXALFSB-UHFFFAOYSA-N 325.328 1.084 0 40 EDAB COCCOc1ccc(CNC(=O)N[C@H]2CCCCNC2=O)cc1 45665428 ZHFWTTMLEMUCSY-HNNXBMFYSA-N 335.404 1.180 0 40 EDAB CN1N=C(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)CCC1=O 29087383 ZXNPKSOMDKYYIJ-HNNXBMFYSA-N 343.362 1.373 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1 29206927 HOYPFNMGYKXCDT-NPQIQWPPSA-N 342.848 1.893 0 40 EDAB Cc1ccccc1C(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O 48343847 SPVVEBSVQIJOPY-UHFFFAOYSA-N 334.397 1.290 0 40 EDAB NS(=O)(=O)c1ccc(OCCN(C[C@H]2CCOC2)C2CC2)cc1 46092403 FLFOPLQNLCLUHL-CYBMUJFWSA-N 340.445 1.214 0 40 EDAB CCc1nnc(NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)s1 46016924 XGNOCNWRPGYJHL-VIFPVBQESA-N 344.400 1.377 0 40 EDAB CNC(=O)NC(=O)COC(=O)c1ccccc1OCc1ccccc1 3442691 YEMPNJAEYXNWRP-UHFFFAOYSA-N 342.351 1.878 0 40 EDAB COC(=O)c1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1 8993846 GEDMNUVGYKHSEM-UHFFFAOYSA-N 331.353 1.388 0 40 EDAB COc1ccccc1N(CCC(N)=O)C(=O)CN1C[C@H](C)O[C@H](C)C1 12983911 OEORRVCFMBVOGM-OKILXGFUSA-N 349.431 1.013 0 40 EDAB CN(CC(=O)NC[C@H]1C[C@@H]1c1ccccc1)c1ncnc2[nH]cnc12 95394784 BENDXVACJASCSK-ZIAGYGMSSA-N 336.399 1.709 0 40 EDAB CC1(C)[C@@H](C(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)[C@H]1C(=O)O 71287191 OARIARQZRGYDBR-OLZOCXBDSA-N 348.355 1.186 0 40 EDAB CC(C)(C)c1n[nH]cc1CN1CCC[C@@H](C(=O)N2CCOCC2)C1 95982414 KIZVXNXYNBNHIY-CQSZACIVSA-N 334.464 1.778 0 40 EDAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCSCC1 49214321 JBHNECLPGDVLLK-UHFFFAOYSA-N 340.470 1.625 0 40 EDAB COC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@H]12 13615711 PRQQFNDOCVAYKE-ATZCPNFKSA-N 349.389 1.751 0 40 EDAB COc1ccc(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccco2)cc1 6101111 BMAIZSURKQMGBR-LLVKDONJSA-N 331.324 1.833 0 40 EDAB CCOc1ccc(N2C[C@H](C(=O)NCCN(C)C3CC3)CC2=O)cc1 65433776 BNKSXHLEVVBBDL-CQSZACIVSA-N 345.443 1.649 0 40 EDAB Cc1cnn(CC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 65490997 JUGVCKPJHLDQBR-AWEZNQCLSA-N 328.420 1.873 0 40 EDAB COC(=O)c1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)n(-c2ccccc2)n1 65496236 ILJRRLVOFDHHHX-BLLLJJGKSA-N 343.383 1.956 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1cccc(CN2CCCC2=O)c1 65494379 ODWUJLCXTLIEDG-MRXNPFEDSA-N 338.411 1.750 0 40 EDAB CCc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)cc1 65533955 QPPGXTYTNKPIHV-SFHVURJKSA-N 343.471 1.875 0 40 EDAB CCn1nc(C)c(CN2CCN(c3ccnc(N(C)C)n3)CC2)c1C 93562749 DYWSNHUWFNWRDB-UHFFFAOYSA-N 343.479 1.698 0 40 EDAB Cc1ccc(OCCN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 14136857 ZNAOGXYXRGVXIF-CYBMUJFWSA-N 330.436 1.900 0 40 EDAB COc1cccc2c1OC[C@@H](NC(=O)C(=O)Nc1cccc(F)c1)C2 65620997 FBVMZEITZVVDBM-AWEZNQCLSA-N 344.342 1.893 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N1CCC(Oc2ccc(C)cn2)CC1 95465434 LYGPKXFESFBGPB-INIZCTEOSA-N 331.416 1.771 0 40 EDAB CC(C)COC[C@H](O)CNC(=O)c1cc(Br)cn1C 95418193 HGYGWBNWHBWLOJ-LLVKDONJSA-N 333.226 1.551 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC(C)C)c(C)c1 28207586 SXMSNTWYGYUYRI-UHFFFAOYSA-N 342.461 1.929 0 40 EDAB Cc1ccc(O)c(CN2CCC[C@H](C(=O)NCC(F)(F)F)C2)n1 93682837 TWODYPVSDKQAGR-NSHDSACASA-N 331.338 1.986 0 40 EDAB C[C@@H]1CO[C@H](CO)CN1c1ncnc2ccc(Br)cc12 95421449 HKUUZZATBTVFQA-KOLCDFICSA-N 338.205 1.978 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C1CC1 7279002 XTXVAQRTGYYTTM-VOJFVSQTSA-N 327.384 1.295 0 40 EDAB Cc1ccnc(NCc2cccc(C(=O)N3CCC[C@H]3C(N)=O)c2)n1 95467438 SSANZGUJCMOALG-HNNXBMFYSA-N 339.399 1.487 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N(Cc1ccccc1)CC(F)F 95412799 LBOAMGXJONEASF-LBPRGKRZSA-N 332.372 1.650 0 40 EDAB Cc1ccc(S(=O)(=O)NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)s1 69343325 UBFQOWDICQYKFR-NEPJUHHUSA-N 347.458 1.836 0 40 EDAB Cc1nnc2n1CCN(CC(=O)NCCOc1cccc(Cl)c1)C2 69490422 YJRBHMGKLLLRDN-UHFFFAOYSA-N 349.822 1.251 0 40 EDAB CN1C[C@@H](C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)CC1=O 69493889 AWXKMZKTAOMRFH-LBPRGKRZSA-N 332.400 1.330 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H](Cc2ccc3c(c2)OCO3)NC(C)=O)CCO1 69435485 WOUHRTVUXZESIK-CABCVRRESA-N 348.399 1.100 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccccc2-n2cnnn2)c1 71869753 QNKVAFWZVRQIDI-CQSZACIVSA-N 337.387 1.472 0 40 EDAB CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)Cn1cnnn1 71899998 CHCFIHNBMAECGR-UHFFFAOYSA-N 336.783 1.204 0 40 EDAB CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)CC1 69590707 CVKGIFWUXWSQMT-INIZCTEOSA-N 330.432 1.847 0 40 EDAB NC(=O)[C@H](CNC(=O)CCc1ccccn1)Cc1ccc(F)cc1 71842092 MSPBYCMBORWCAP-AWEZNQCLSA-N 329.375 1.614 0 40 EDAB COc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(C)o2)cc1OC 8508767 LTTOQXMWZPWKAO-UHFFFAOYSA-N 346.383 1.994 0 40 EDAB Cc1cc2ncn(C[C@H](O)CN3CCN(C[C@H](C)O)CC3)c2cc1C 69779225 UDLRKCJKIVZXIJ-DLBZAZTESA-N 346.475 1.012 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 69739917 SDSNLUXTYJDSHT-ZDUSSCGKSA-N 344.814 1.634 0 40 EDAB CCc1ccc(N2C[C@H](C(=O)N(CCO)CC3CC3)CC2=O)cc1 83823693 QMJPFNJTNPRVFL-MRXNPFEDSA-N 330.428 1.833 0 40 EDAB CNC(=O)[C@H]1CCCN(C(=O)NCc2ccnc3ccccc23)C1 83881805 SCUYZHDTYLWXLU-AWEZNQCLSA-N 326.400 1.902 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@@H](Cn3nc(C)nc3C)C2)on1 69849547 JLRYSOAXUGPGIH-CQSZACIVSA-N 332.408 1.542 0 40 EDAB COC(=O)c1cc(F)ccc1CSc1nnc(C)n1CC(N)=O 69808761 NYOXLPIFOOZMQA-UHFFFAOYSA-N 338.364 1.290 0 40 EDAB O=C1CC[C@H](C(=O)NCC2(c3ccccc3Cl)CCOCC2)N1 69980372 VFVVYSWFBIAGCG-CQSZACIVSA-N 336.819 1.783 0 40 EDAB CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)N2CCOCC2)cc1 9603738 LELZMCYGBRMRKT-UHFFFAOYSA-N 348.399 1.829 0 40 EDAB O=C([C@@H]1Cc2ccccc2S1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269303 FHNPCUKBDDYNLB-VYDXJSESSA-N 332.469 1.761 0 40 EDAB CCc1nc([C@@H]2CCCN2CC(=O)N2CCO[C@H]3CCCC[C@@H]32)no1 72279381 YPQBOAYJXLTMDP-KKUMJFAQSA-N 348.447 1.939 0 40 EDAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)C1 89942139 YSFZTLDWJMVTNY-RWMBFGLXSA-N 326.437 1.887 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCC[C@@H](n2cncn2)C1 76041457 IYJNHLYFSYSKEX-IUODEOHRSA-N 330.436 1.671 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)Cc3csc(C(C)C)n3)CCO2)n1 76045561 GTBBLQHBOURDEE-GFCCVEGCSA-N 335.433 1.836 0 40 EDAB CC[C@H](CN1CCCC1)NC(=O)CCn1c(=O)oc2ccccc21 76017324 VYGKYFDZGGTGJH-CQSZACIVSA-N 331.416 1.975 0 40 EDAB O=C(CN1C(=O)N/C(=C/c2ccco2)C1=O)Nc1ccccc1F 409216565 MHDBXTFNDOJACE-MDWZMJQESA-N 329.287 1.950 0 40 EDAB CS(=O)(=O)N1CC[C@H](c2ccc(Br)cc2)[C@H](O)C1 2362797614 UFKCHRQWLNRMQW-VXGBXAGGSA-N 334.235 1.559 0 40 EDAB COc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(F)cc2)c1 408552673 MXDPMBIAOHRKNT-UHFFFAOYSA-N 345.330 1.528 0 40 EDAB Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)cc1 32668666 VZXQZTYVXRUBLQ-UHFFFAOYSA-N 334.397 1.959 0 40 EDAB COC(=O)C1CCN(C(=O)COc2cc(OC)cc(OC)c2)CC1 218896009 GCEXWIDMPDUIMZ-UHFFFAOYSA-N 337.372 1.494 0 40 EDAB O=C(N[C@H](C(=O)O)[C@H](O)c1ccncc1)c1cc2c(s1)CCCC2 1548599760 MKIKHEXVYWKWOV-LSDHHAIUSA-N 346.408 1.939 0 40 EDAB COc1ccc(-c2noc(CCCC(=O)Nc3nnn[nH]3)n2)cc1 33000097 BABHUTJXODEEIN-UHFFFAOYSA-N 329.320 1.220 0 40 EDAB Cc1cc(CN(C)S(=O)(=O)c2cc(C)c(C(=O)O)s2)no1 36199395 KDXUOCBJHXEOCA-UHFFFAOYSA-N 330.387 1.872 0 40 EDAB CN1CCN([C@H](C(=O)O)c2c(C(=O)O)n(C)c3ccccc23)CC1 36365419 PHKRKUXIAJCNNC-HNNXBMFYSA-N 331.372 1.250 0 40 EDAB CCOC[C@@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O 218078051 KYFMLCAOSZFIQH-VNHYZAJKSA-N 343.470 1.515 0 40 EDAB CC(C)NC(=O)N1CCCN(C(=O)c2ccc3c(c2)OCCO3)CC1 75044729 WUFUUIUCIJXGMK-UHFFFAOYSA-N 347.415 1.724 0 40 EDAB C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NC[C@@H](C)Cn1cccn1 187722216 RLVICPHEUQBWEQ-CABCVRRESA-N 337.468 1.006 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC1CCCCCCC1 75260528 JDPOINKHXJKBDX-ZDUSSCGKSA-N 341.452 1.984 0 40 EDAB O=C(NC1CC1)c1ccc(S(=O)(=O)NCc2ccncc2)cc1 35315801 VQZXGHZHICFGOR-UHFFFAOYSA-N 331.397 1.452 0 40 EDAB COc1ccc([C@H]2[C@H](C(=O)NCCCN(C)C)CCC(=O)N2C)cc1 72242051 JBAQQRFVTSKIJC-AEFFLSMTSA-N 347.459 1.673 0 40 EDAB CCN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1=O 78608983 YCNVLJLEWQTDAU-WCQYABFASA-N 337.370 1.528 0 40 EDAB Cn1ncc2c(NC[C@H]3CS(=O)(=O)c4ccccc4O3)ncnc21 576034169 OGMWUJHIUAQGFE-JTQLQIEISA-N 345.384 1.010 0 40 EDAB C[C@@H](CNC(=O)Cn1cncn1)Oc1cccc(Br)c1 81303348 YRWCPNFMRNLPDB-JTQLQIEISA-N 339.193 1.624 0 40 EDAB Cn1nc(C(=O)NC[C@H]2CCCO2)cc1NC(=O)c1ccccc1 40761717 SIUXPECIRGSRNL-CYBMUJFWSA-N 328.372 1.581 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(CCC(=O)Nc2ccccc2)C1 69420889 SOIWYORANMRHGV-CQSZACIVSA-N 339.461 1.276 0 40 EDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccccn1 85877794 RBNQHTNNNILEQL-UHFFFAOYSA-N 336.351 1.755 0 40 EDAB biogenic Cc1ccc(Cc2nnn(C[C@H](O)CN3C[C@H](C)O[C@H](C)C3)n2)cc1 225709433 NYGYJILUMAUZRS-HLLBOEOZSA-N 345.447 1.042 0 40 EDAB O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(C4CCCC4)C3)N2C1 514289824 PAIQJLFBHVBRPU-RTBURBONSA-N 342.487 1.329 0 40 EDAB biogenic,in-vitro C[C@@H]1CN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)C(C)(C)CO1 195563305 ZEZLUIRVXKAFTK-CJNGLKHVSA-N 341.477 1.416 0 40 EDAB Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)c1F 190771020 SPIUDKHEPBESNC-ZDUSSCGKSA-N 330.363 1.960 0 40 EDAB CC(=O)NC[C@H]1CN(Cc2ccc3oc(C(=O)O)cc3c2)CCO1 577957994 POAWIYNWUBKSFL-AWEZNQCLSA-N 332.356 1.468 0 40 EDAB COc1cccc(S(=O)(=O)N2CC[C@@H](OC)[C@H]3OCC[C@@H]32)c1 96218830 KBDFCKGHQFOFSM-ZNMIVQPWSA-N 327.402 1.262 0 40 EDAB C[C@H](C(=O)NCCc1cccs1)N(C)C[C@@H]1CCS(=O)(=O)C1 96419657 ORNPNXBXAKSFBA-OLZOCXBDSA-N 344.502 1.162 0 40 EDAB CN1CCN(Cc2ccccc2CNC(=O)NC2CC=CC2)CC1 95413965 WPDZFXIHGXLWGX-UHFFFAOYSA-N 328.460 1.952 0 40 EDAB CN(C(=O)c1cnc(-c2ccc3c(c2)CCO3)s1)[C@@H]1COC[C@H]1O 585082340 FRBSUVGZVPAPIJ-CHWSQXEVSA-N 346.408 1.577 0 40 EDAB CCN1C[C@@H]2[C@@H](OC)CCN(C(=O)Cc3ccc(OC)cc3)[C@@H]2C1 96109398 XBGBNIJVCRNXMG-KSZLIROESA-N 332.444 1.805 0 40 EDAB O=C(c1cccs1)N1CCC2(CC1)C[C@H](N1CCOCC1)CO2 96047970 VKZKARHPWRRRMX-AWEZNQCLSA-N 336.457 1.844 0 40 EDAB O=C(C[C@@H]1CCCO1)NCc1ccccc1CN1CCC(O)CC1 96449864 NNQMGKIUQMMPHY-SFHVURJKSA-N 332.444 1.829 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)NCc1nc([C@H]2CCOC2)n[nH]1 585138096 NYZVPEQVRZUTKD-JTQLQIEISA-N 340.380 1.235 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)CCCn2c(O)nnc2O)cc1 585121929 GROPJERRNQQMDQ-UHFFFAOYSA-N 348.403 1.616 0 40 EDAB CNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)NCCc1ccccn1 96112940 HAWZREWGLQRNPD-DLBZAZTESA-N 346.475 1.365 0 40 EDAB biogenic,in-vitro CNC(=O)c1cccc(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)c1 96445453 XZCPZESHVZWFRO-GYCJOSAFSA-N 344.436 1.896 0 40 EDAB O=C(CN1CCCC[C@H]1c1cc(O)n2nccc2n1)N1CCCC1 257309346 UAPFWYAPMWJRPQ-AWEZNQCLSA-N 329.404 1.584 0 40 EDAB CCn1cc(C(=O)N2CCO[C@H](c3cc(NC)cc(C)n3)C2)cn1 257210135 BTIBYJIUJSNPQZ-INIZCTEOSA-N 329.404 1.862 0 40 EDAB Cc1cc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)ccn1 257251946 JSYOXKDLPOZVFP-UHFFFAOYSA-N 334.445 1.767 0 40 EDAB COCCC(=O)N1CCC[C@@H]1c1cncc(Nc2ncccn2)n1 257288292 PTPXTGBXTUVHOM-CYBMUJFWSA-N 328.376 1.710 0 40 EDAB Cc1cnc(C(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)cn1 257334535 YGIWDQNASWONHG-ZDUSSCGKSA-N 326.404 1.642 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CCO1 257232502 GLCGYHDGRODEIZ-ZDUSSCGKSA-N 330.392 1.001 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC(C)(c3nccs3)CC2)c1 257267914 MJKIGEBLMKMZDY-UHFFFAOYSA-N 326.447 1.619 0 40 EDAB CN(CC(=O)N1CCC[C@H](Cc2ccn[nH]2)C1)Cc1cccnc1 257262015 LJRCHXCCOUMVED-OAHLLOKOSA-N 327.432 1.718 0 40 EDAB CN(CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 255190764 ZHCOAIZMZOTLCL-UHFFFAOYSA-N 325.411 1.739 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cccnc2)[C@@H](c2ccccc2)C1 257248554 JEEITEUNUIYSFL-QGZVFWFLSA-N 345.424 1.676 0 40 EDAB Cc1cc(C[C@@H]2COCCN(C(=O)CCCn3ccnc3)C2)ncn1 257308965 TYYFEABWMKTQQO-INIZCTEOSA-N 343.431 1.479 0 40 EDAB Cc1sc2nc(S[C@@H](C)C(=O)NC(N)=O)nc(N)c2c1C 24746948 WTSJERLWGZTBTC-LURJTMIESA-N 325.419 1.566 0 40 EDAB Cc1ccn(CCC(=O)N(C)[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)n1 257213520 CHXSCOPOZDCVCU-JFIYKMOQSA-N 344.415 1.406 0 40 EDAB CCc1n[nH]c(C(=O)N2CCC[C@](O)(CN3CCCC3)CC2)c1C 257265867 MAROQAVEJCIKJM-GOSISDBHSA-N 334.464 1.734 0 40 EDAB Cc1cc2nc([C@@H]3CCCCN3C(=O)Cn3ccnc3)cc(O)n2n1 257310431 UFBBQQUWBOATOE-AWEZNQCLSA-N 340.387 1.694 0 40 EDAB O=S(=O)(c1cccs1)N1CCOC[C@H]1CCc1cnccn1 257280102 OJLPCSIVYJRGRL-CYBMUJFWSA-N 339.442 1.560 0 40 EDAB O=C1CCCN1CC[C@@H]1CN(C2CCOCC2)Cc2ccnn2C1 253616742 KYGGKHDIYNPCPL-OAHLLOKOSA-N 332.448 1.506 0 40 EDAB CN(C)Cc1ccnc([C@@H]2CN(C(=O)c3ccccn3)CCO2)n1 257335078 YIPLYHOMJRBZEI-HNNXBMFYSA-N 327.388 1.147 0 40 EDAB O=[S@@]1C[C@@H]2C[C@H]1CN2C[C@H](O)Cc1ccccc1C(F)(F)F 593102413 WOMAHFDRLIQNQL-KWEKOBGCSA-N 333.375 1.814 0 40 EDAB CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)CCO1 283614045 ZFWNUJOAMCEKPE-FZMZJTMJSA-N 332.404 1.965 0 40 EDAB CNS(=O)(=O)c1cccc(NC(=O)[C@H](C(=O)O)C2CCCC2)c1 1615555585 WLKVTSCERLSVTF-CYBMUJFWSA-N 340.401 1.424 0 40 EDAB Cc1nc(C[C@@H]2CCCN(C(=O)[C@]34CNC[C@H]3COC4(C)C)C2)no1 1616038346 GPABCXJGMPDALI-DEYYWGMASA-N 348.447 1.174 0 40 EDAB FC(F)(F)c1cccc(Cn2nnnc2N2CCCOCC2)c1 1616039502 PAWCMHGUANQXPN-UHFFFAOYSA-N 327.310 1.967 0 40 EDAB CCCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(-n2cnnc2)c1 1616045535 CSESPZXXHAFVLT-AWEZNQCLSA-N 345.428 1.907 0 40 EDAB COCCN(c1ccncc1)S(=O)(=O)c1cc(C)cc(C(N)=O)c1 585091972 WFXXBFIBPZSRBE-UHFFFAOYSA-N 349.412 1.331 0 40 EDAB CO[C@]1(CCC(=O)NCc2c(C)n[nH]c2C)CCCN(C(C)=O)C1 585280537 JXXVNWBWLGVNJO-KRWDZBQOSA-N 336.436 1.450 0 40 EDAB O=C(NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O)c1cccnn1 585283652 CLMNVBATYVZNOZ-KBRIMQKVSA-N 327.384 1.815 0 40 EDAB NC(=O)c1cccc2c1CCN(C(=O)NC[C@@H]1CCN1C1CC1)C2 685938993 VHWXSSMSAJGUEY-AWEZNQCLSA-N 328.416 1.090 0 40 EDAB O=C(NCC1CCN(c2cnc3ccccc3n2)CC1)c1cc[nH]n1 1057784066 MUIUAYGPDMQNKU-UHFFFAOYSA-N 336.399 1.999 0 40 EDAB COc1ccc(CC(=O)N2CCC(CN3CCOCC3)CC2)cc1 36103434 KDOIEYCXHAASAL-UHFFFAOYSA-N 332.444 1.809 0 40 EDAB CCn1cc(Br)cc1C(=O)N[C@H]1CCS(=O)(=O)C1 36858244 ZSBGLWXSIHDPFZ-VIFPVBQESA-N 335.223 1.187 0 40 EDAB O=C(NCCC(=O)N1CCCc2ccccc21)c1ccc(=O)[nH]c1 49385225 KTPDKCWYFIBWRN-UHFFFAOYSA-N 325.368 1.474 0 40 EDAB Cc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(=O)[nH]1 75119582 KPYLEIOUAQALHI-CQSZACIVSA-N 325.412 1.860 0 40 EDAB NC(=O)c1ncccc1C(=O)N1CCN(c2ccccc2Cl)CC1 95942140 LVQZKELRSKVITH-UHFFFAOYSA-N 344.802 1.796 0 40 EDAB COc1cc(CN2CC[C@H](Nc3nccn(C)c3=O)C2)cc(OC)c1 88751632 ZPUAOKDIPCTJBD-AWEZNQCLSA-N 344.415 1.484 0 40 EDAB Cc1cnn(-c2ccc(S(=O)(=O)Nc3noc(C)n3)cc2F)c1 95994073 RCFCZHDBACLKRL-UHFFFAOYSA-N 337.336 1.812 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)NCc3ccccc3)nc2n1 38145701 CUVBRMXIPBLKKN-UHFFFAOYSA-N 339.355 1.214 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)N3C[C@H](C)OC[C@@H]3C)ccc21 40499005 PPUITQZODYSLGK-RYUDHWBXSA-N 329.400 1.974 0 40 EDAB NS(=O)(=O)c1nnc(NC(=O)C2C3CC4CC(C3)CC2C4)s1 5613028 DMCMSGADOYWMEP-UHFFFAOYSA-N 342.446 1.196 0 40 EDAB COc1ccccc1OCC(=O)N1N=C(C)C[C@]1(O)C(F)(F)F 5645240 RJNWKGGCPUCTBT-ZDUSSCGKSA-N 332.278 1.933 0 40 EDAB Cc1ccc2[nH]cc(NC(=O)NCCCN3CCCC3=O)c(=O)c2c1 13565934 OMYGCXCZHDBRIE-UHFFFAOYSA-N 342.399 1.971 0 40 EDAB CCCn1c(C)c(C)n2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 4314438 IXUFFHJFYCBTLC-NSHDSACASA-N 345.403 1.326 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)ccc1F 239579104 DEOSSEGUKBGZSV-UGFHNGPFSA-N 329.393 1.749 0 40 EDAB CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)c1 8327346 XXESPWNULXOZCF-SNVBAGLBSA-N 349.387 1.815 0 40 EDAB Cn1cnc2ncnc(N3CCN(c4ncnc5ncccc45)CC3)c21 1888918281 HFPXZXREHTZXBU-UHFFFAOYSA-N 347.386 1.028 0 40 EDAB O=C([C@@H]1CN(c2cccc(C(F)(F)F)n2)CCO1)N1CCOCC1 1889096373 SZPZUFORIBHZLK-NSHDSACASA-N 345.321 1.164 0 40 EDAB O=C(NC1CC1)[C@H]1CN(c2nccn3nc(C4CC4)cc23)CCO1 1889108048 NWIPXMCKTPWJEU-OAHLLOKOSA-N 327.388 1.091 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NC[C@H](CC(C)C)N1CCOCC1 22970648 IBWDIZHXHFLBNA-INIZCTEOSA-N 336.480 1.443 0 40 EDAB CN1C[C@]2(COCC1=O)CN(Cc1cccc(F)c1F)CCO2 2037984188 SRYHKKWDBAXYNQ-MRXNPFEDSA-N 326.343 1.024 0 40 EDAB Cc1ccc(N2CCC[C@]3(CN(C(=O)C4(F)CCC4)CCO3)C2)nn1 1565548408 YXWPHIFYTPNPOM-QGZVFWFLSA-N 348.422 1.875 0 40 EDAB Cc1noc([C@@H]2C[C@H]3CN(C(=O)CCc4cncnc4)C[C@H]3O2)n1 1565545707 LFSFQFLVYPJMGT-MELADBBJSA-N 329.360 1.089 0 40 EDAB Cc1cnc(C(=O)N[C@@H]2CCc3onc(CN4CCCC4)c3C2)cn1 2055732755 ZBXCBSFVDDQBLL-CYBMUJFWSA-N 341.415 1.656 0 40 EDAB CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(Cc2ccc(C)s2)CC1 2055745802 CDUBIEAESZRUQO-UHFFFAOYSA-N 347.488 1.405 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)NCc2ccccc2)CC1 43980445 FUWVZSVSWPEZHV-UHFFFAOYSA-N 325.434 1.157 0 40 EDAB CC(C)=CC(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O 575613514 SNWBGXDQSGCMHA-UHFFFAOYSA-N 327.381 1.409 0 40 EDAB O=C(N1CC(Nc2ccncn2)C1)C1(c2ccccc2)CCOCC1 618256813 XNRFIHVHKOYAKC-UHFFFAOYSA-N 338.411 1.848 0 40 EDAB O=C(NC1CC1)C1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 363081815 OCBKHLKAGDRKKR-GFCCVEGCSA-N 333.354 1.140 0 40 EDAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 103715751 LZMUKDFGKJKUTL-XQLPTFJDSA-N 342.395 1.461 0 40 EDAB biogenic CCCn1ncc(CNC(=O)C(=O)Nc2c(C)nn(C)c2C)c1C 40283939 UQGDKNVOUJGYSY-UHFFFAOYSA-N 332.408 1.207 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 31398225 IECYUWODIYNDLX-CHWSQXEVSA-N 328.372 1.202 0 40 EDAB COC(=O)Cc1c(C)[nH]c2nc(NCc3ccccc3C)nn2c1=O 100641666 AUYAQQYYUHXERL-UHFFFAOYSA-N 341.371 1.362 0 40 EDAB O=C(CN1C(=O)CSc2ccccc21)N[C@@H]1CCN2CCCC[C@H]12 40534815 ZXERSGCTVBKGJT-ZIAGYGMSSA-N 345.468 1.868 0 40 EDAB Cc1cccc(C)c1OCCC(=O)N1CCN(S(C)(=O)=O)CC1 40512830 MNOUMWJOJDMZOM-UHFFFAOYSA-N 340.445 1.176 0 40 EDAB O=C(CN1CCN(c2ccccn2)CC1)N1CCO[C@H]2CCCC[C@@H]21 51225952 PEIFUUXEJKOYIE-IRXDYDNUSA-N 344.459 1.374 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](c1cccs1)C1CCCC1 32397220 GSXQSPSJVQGRKJ-OAHLLOKOSA-N 333.413 1.646 0 40 EDAB CN1N=C(CC(=O)N2CCN(CCc3ccc(F)cc3)CC2)CC1=O 101873882 VTAXEICXYDZGTA-UHFFFAOYSA-N 346.406 1.121 0 40 EDAB COc1cccc(CNC(=O)c2nn(-c3ccccc3)nc2CO)c1 21148986 WCYJSGVUZCWMJF-UHFFFAOYSA-N 338.367 1.698 0 40 EDAB O=C(O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1O 41091369 DXHGZQLNNUDHAW-UHFFFAOYSA-N 349.324 1.061 0 40 EDAB NS(=O)(=O)c1ccc(OCCOC(=O)Cc2cccs2)cc1 21311518 GCBPAHDDFHOEHR-UHFFFAOYSA-N 341.410 1.560 0 40 EDAB C[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)NCc1ccco1 52568644 LQEAXKUFSVMBBS-LBPRGKRZSA-N 344.371 1.222 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1 52851992 LYMMVFUBHVREOI-GOSISDBHSA-N 329.444 1.760 0 40 EDAB Cc1ccc(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)c1 500949 RTONNYJVWJBJFZ-UHFFFAOYSA-N 332.791 1.752 0 40 EDAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CC(N)=O)c3ccccc32)cc1 299948 HUEUIGOMIIGSJF-LJQANCHMSA-N 338.363 1.288 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1nnc2ccccn12 41836596 RDNUUJRHOUMKPH-CYBMUJFWSA-N 327.344 1.715 0 40 EDAB CCCNC(=O)CN1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 70703359 PNAYDNJCQNSFNW-UHFFFAOYSA-N 341.459 1.516 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)c2nc(N3CCCCC3)ncc2Cl)C1 53895028 LNVHHJOAYRRVJG-SNVBAGLBSA-N 337.811 1.068 0 40 EDAB Cc1cc(C(=O)OCC(=O)NC2=NC(=O)CS2)c2ccccc2n1 2746270 ZBSGHZLVYBIAND-UHFFFAOYSA-N 343.364 1.446 0 40 EDAB O=C(c1cc(Br)c[nH]1)N1CCN(c2cnccn2)CC1 37497584 SOCMJLDVYCYRHG-UHFFFAOYSA-N 336.193 1.530 0 40 EDAB CN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(F)cc1 802499 JBTBVPVTMKGUJE-UHFFFAOYSA-N 337.376 1.158 0 40 EDAB CCCOC(=O)c1ccc(NC(=O)C(=O)NCc2cccnc2)cc1 4854993 MJJXJBLNDDRFAS-UHFFFAOYSA-N 341.367 1.903 0 40 EDAB NC(=O)Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CC1 23350507 NOWPTDLJWLHGHX-UHFFFAOYSA-N 349.391 1.511 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)N1CCC(N2CCNC2=O)CC1 54594565 OASSXEBVFGEPAP-UHFFFAOYSA-N 345.399 1.364 0 40 EDAB Oc1cc(C(F)(F)F)nc(CN2CC[C@@](O)(C(F)(F)F)C2)n1 97021883 XWNMATVGTRFZLM-VIFPVBQESA-N 331.216 1.700 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cn2cccn2)cc1 54887880 ORFBZGJJRICOJI-MRXNPFEDSA-N 326.400 1.624 0 40 EDAB CNc1nc(S[C@H](C)C(=O)N2CCNC2=O)nc2ccccc12 24104160 OQCIUMWDMSNZHK-SECBINFHSA-N 331.401 1.704 0 40 EDAB CCNC(=O)CNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 72270549 IEOHQRJIBDJBTN-UHFFFAOYSA-N 332.385 1.001 0 40 EDAB C[C@@H]1CN(C[C@@H](O)Cn2nc(-c3cccs3)oc2=O)C[C@@H](C)O1 106830543 WMNBUWVSCOUNDL-IJLUTSLNSA-N 339.417 1.035 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(C[C@H](C)O)[C@@H](C)C1 106867955 TTXZZWZWOFRKTQ-SOUVJXGZSA-N 337.468 1.178 0 40 EDAB COc1ccc(C(N)=O)c(OCC(=O)NCc2ccc(F)cc2)c1 25219338 KAWOHHNODSSNQD-UHFFFAOYSA-N 332.331 1.628 0 40 EDAB O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccc[nH]c2=O)CC1 25229758 KAHIHSYRJZIPHF-UHFFFAOYSA-N 329.331 1.112 0 40 EDAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ncn(C)c1Cl 26536492 MTVRQBYSWBOPJU-UHFFFAOYSA-N 343.792 1.685 0 40 EDAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCOCC1 25969281 NTBXJABQCNSHRR-UHFFFAOYSA-N 340.445 1.544 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(-n2cncn2)nc1 12537423 RDWHXSLMWKMKQF-UHFFFAOYSA-N 337.339 1.962 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1 27344649 FYQUBIAVFYVREA-UHFFFAOYSA-N 331.416 1.513 0 40 EDAB Cc1ncccc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 97081799 LZVJBZFIIILJKU-QGZVFWFLSA-N 325.412 1.887 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 58292482 KYQYJTJGSDSWPE-UNEWFSDZSA-N 346.427 1.970 0 40 EDAB CCN(C(=O)/C=C/c1ccc(OC)c(OC)c1)[C@H]1CC(O)=NC1=O 58209152 UJCBAUCCEDFWHP-WMADIVHISA-N 332.356 1.821 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCc1ccc(N(C)C)cc1 58265742 ZPQLAKYATAWKLW-UHFFFAOYSA-N 336.461 1.624 0 40 EDAB Cn1cc([C@@H]2CN(S(=O)(=O)Cc3cccc(F)c3)CCO2)cn1 97012753 OFRGGWFHIYITJX-HNNXBMFYSA-N 339.392 1.463 0 40 EDAB Cc1sc2nc(CN3CCOCC3)nc(N3CCOCC3)c2c1C 25480141 CPFQZWUAIJJDQO-UHFFFAOYSA-N 348.472 1.977 0 40 EDAB CC1(C)[C@H]2CC=C(CN3C[C@]45C=C[C@@H](O4)[C@H](C(=O)O)[C@@H]5C3=O)[C@@H]1C2 100781668 KFWIQRFOCDYDRG-SFXSQQOLSA-N 329.396 1.845 0 40 EDAB Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 12602023 OJPXDPPAIHARSC-VIFPVBQESA-N 347.327 1.156 0 40 EDAB C[C@H](CCc1ccccc1)NC(=O)Cn1cnc2ncccc2c1=O 58325355 YJKDBXMNOIHJSQ-CQSZACIVSA-N 336.395 1.929 0 40 EDAB CCC(CC)N(C)C(=O)c1cnn([C@@H]2CCS(=O)(=O)C2)c1C 58392928 WAMDKNKRRRFOJC-CYBMUJFWSA-N 327.450 1.812 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCCCN3CCC(C)CC3)nc2n1 28068169 RQMAYKJBNSKFDT-UHFFFAOYSA-N 330.436 1.593 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNC[C@@H]1CCN(C2CC2)C1 58421097 YNMSWBZYQPXGMC-HNNXBMFYSA-N 333.480 1.139 0 40 EDAB CC(=O)N(CCC(=O)N[C@@H]1CCc2nccn2C1)Cc1ccccc1 72230629 ZRVDAFVLZFJDNM-QGZVFWFLSA-N 340.427 1.753 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccn(-c2ccc(F)cc2)n1 48152011 ZKNJFQWDAMGHJY-LLVKDONJSA-N 337.376 1.176 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 48290912 XVKUUWDJBOFRHQ-PMPSAXMXSA-N 336.436 1.641 0 40 EDAB O=C(Nc1ccc(O)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 36353621 SMUBLNNBUVUZOB-UHFFFAOYSA-N 343.358 1.819 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]1O2 107264525 SRGMSWYQTUKVBJ-RCCFBDPRSA-N 338.411 1.382 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1cccc(F)c1 28508406 DWNHAQCUAGYXAU-INIZCTEOSA-N 340.358 1.777 0 40 EDAB Cc1cc([C@H]2CCCN2C(=O)NC[C@H]2CCS(=O)(=O)C2)on1 45675158 GFMONWWGIRSSCJ-VXGBXAGGSA-N 327.406 1.264 0 40 EDAB CC(C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nc(-c2ccccc2)no1 46116786 RNQFHZFIDKSDAI-LLVKDONJSA-N 337.401 1.565 0 40 EDAB COc1ccnc(N2CCCN([C@H](C)C(=O)NC(C)(C)C)CC2)n1 60340033 RONDSOOAIZPMNO-CYBMUJFWSA-N 335.452 1.301 0 40 EDAB CCc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CCS(=O)(=O)C2)cc1 39996349 MQOUWQWXOIFECL-AAEUAGOBSA-N 339.413 1.554 0 40 EDAB O=C(N[C@@H]1CCCCNC1=O)c1ccc(-c2ccccc2)[nH]c1=O 65538722 XTENJICCJLCBGN-OAHLLOKOSA-N 325.368 1.440 0 40 EDAB CCN(Cn1nc(C(C)(C)C)[nH]c1=S)[C@H]1CCS(=O)(=O)C1 14138441 FTMDLHHUTXRUFG-JTQLQIEISA-N 332.495 1.705 0 40 EDAB COC(=O)c1cc(CNC(=O)c2cc(C(C)=O)c[nH]2)ccc1OC 14110277 GDIPEWLHMPQQHC-UHFFFAOYSA-N 330.340 1.943 0 40 EDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 4505377 LIDKHTJGWBFNOT-CYBMUJFWSA-N 331.459 1.501 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N[C@@H](CO)[C@H](C)c2ccccc2)c1 97021195 JVEXOONDQJYSKX-HIFRSBDPSA-N 337.445 1.907 0 40 EDAB O=C(O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(O)cc2)C1=O 408590087 FYPMZFQEQFAJEJ-MDWZMJQESA-N 327.296 1.160 0 40 EDAB O=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1ccc2cc[nH]c2c1 96116911 CFTPFLNNAVTENP-UHFFFAOYSA-N 348.362 1.601 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1 67473062 PBIWNJUJRWNCKK-KRWDZBQOSA-N 344.390 1.798 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CCc3nc(C)cn3C2)c(C)c1 90168049 QIUKWOJCJKRTAT-ZDUSSCGKSA-N 335.429 1.802 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O 9450496 UNAIXKPPZYALDU-MRXNPFEDSA-N 339.342 1.600 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)NC(=O)Nc1ccccc1F 7985733 IPSWJDMWTOWTPL-UHFFFAOYSA-N 340.314 1.884 0 40 EDAB COc1cccc(CNC(=O)[C@@H]2CN(C)CCO2)c1OC1CCCC1 81401291 ZTTKHMYZZQAQIU-KRWDZBQOSA-N 348.443 1.963 0 40 EDAB Cc1cc(C)nc(SCC(=O)N(C)Cc2nnc3ccccn23)n1 69367038 PIGPAAORWLQQGY-UHFFFAOYSA-N 342.428 1.887 0 40 EDAB COc1ccc([C@H]2C[C@H]2NC(=O)C(=O)Nc2cccnc2OC)cc1 69493696 OESIMIAJUVOCGB-UKRRQHHQSA-N 341.367 1.710 0 40 EDAB O=C1NCCCC[C@H]1N1CCN(C(=O)Cc2ccccc2Cl)CC1 72297831 GXRDXRQQQGSOPW-MRXNPFEDSA-N 349.862 1.695 0 40 EDAB CC(=O)Nc1nc(CN2CCN(Cc3nccn3C)[C@H](C)C2)cs1 69521431 TXTPPZUGNOEECN-GFCCVEGCSA-N 348.476 1.541 0 40 EDAB Cc1noc(Cl)c1CC(=O)Nc1ncn(Cc2cccnc2)n1 69587891 ZTTMZRHAIBWASX-UHFFFAOYSA-N 332.751 1.852 0 40 EDAB CC1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCC(=O)N2)CC1 69568159 OBVJXDUYRMDWOO-HNNXBMFYSA-N 329.400 1.776 0 40 EDAB Cc1nnc2n1CCN(C[C@@H](O)COc1ccc3ccccc3c1)C2 69558518 NKDGUPLRXRXVLC-QGZVFWFLSA-N 338.411 1.995 0 40 EDAB CCNC(=O)CN(CC)C[C@H](O)c1ccc(Br)cc1 69631377 IVSQLQHOLKOSQV-ZDUSSCGKSA-N 329.238 1.941 0 40 EDAB CC(C)c1nc2n(n1)C[C@@H](NCc1cnc(N3CCCC3)nc1)CC2 71877302 QSZHOPCMGUZBFA-HNNXBMFYSA-N 341.463 1.896 0 40 EDAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(N(C)C)nc2)C[C@@H](C)O1 71841820 WDZXLRCMECVBPJ-UXLLHSPISA-N 346.475 1.861 0 40 EDAB Cc1c(C(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)cnn1C 71839646 OGTPUMRIHBECFD-UHFFFAOYSA-N 332.408 1.193 0 40 EDAB CCSc1ccc([C@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1 69812153 VFHJUSVQKYEWRV-NSHDSACASA-N 330.475 1.867 0 40 EDAB NC(=O)NC(=O)CNc1ccccc1NC(=O)Cc1cccs1 69808784 FKWKVGLPAYEBPR-UHFFFAOYSA-N 332.385 1.536 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](C)Nc2ccc3ncsc3c2)CC1 71818567 PHJSAVUXEVBIJG-LLVKDONJSA-N 332.429 1.787 0 40 EDAB O=S(=O)(NCCN1CCCC[C@H]1Cn1cccn1)c1ccccc1 71875293 WKVPCPJLUZOMLJ-INIZCTEOSA-N 348.472 1.716 0 40 EDAB CC(=O)N1CCCC[C@H]1CC(=O)N1CCCN(c2cccnn2)CC1 69979482 PYVCQKXYIASQSF-INIZCTEOSA-N 345.447 1.306 0 40 EDAB CC(C)c1cc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)n[nH]1 71841533 XVLPKBMHKFEZSL-LBPRGKRZSA-N 332.379 1.746 0 40 EDAB COCC(=O)N1CCN(Cc2nc(-c3ccccc3)oc2C)CC1 71852398 GBEZFVJEQOKZGE-UHFFFAOYSA-N 329.400 1.941 0 40 EDAB COC[C@@H](C)NC(=O)COC(=O)c1cc(C2CC2)nc2onc(C)c12 97139508 PSRFUKKFGXFDMX-SECBINFHSA-N 347.371 1.717 0 40 EDAB Cc1nc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)c2ccccn12 97212604 ZYWLUIKNQXVRNT-KRWDZBQOSA-N 334.379 1.956 0 40 EDAB C[C@H](CC(=O)Nc1ccc(F)cc1)NCC(C)(C)S(C)(=O)=O 95968918 NEPXSIJEPMLGLP-LLVKDONJSA-N 330.425 1.956 0 40 EDAB CC(C)Cn1cnc(S(=O)(=O)NC[C@@](C)(O)c2ccccc2)c1 95972874 PHMQEJXQFWWLRY-MRXNPFEDSA-N 337.445 1.725 0 40 EDAB CN(C)CCN(C)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 95987635 JUWLABPRQUQVAO-HUUCEWRRSA-N 327.375 1.998 0 40 EDAB COCCCOC1CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C1 75092873 JBMGQAAEVJUQCC-UHFFFAOYSA-N 330.425 1.554 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)N[C@@H](CO)Cc3ccccc3)ccc21 75140857 SDUUASFBHJDUOE-CQSZACIVSA-N 341.367 1.857 0 40 EDAB NC(=O)[C@@H]1CC[C@@H](CNc2nccc(OCc3ccccc3)n2)O1 89601370 JKKZVGRHURUEFA-KBPBESRZSA-N 328.372 1.500 0 40 EDAB O=C(NCc1cccnc1N1CCN(C(=O)C2CC2)CC1)C1CC1 89773274 MZKPKTNUQFFYMZ-UHFFFAOYSA-N 328.416 1.166 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)CCc2nc(C3CC3)no2)CC1 89920407 PKNODSYEDDTTSP-WCQYABFASA-N 332.404 1.206 0 40 EDAB COc1cc([C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)ccc1OC1CCCC1 89904735 ZGBUPMIAYQZSMZ-RISCZKNCSA-N 347.415 1.875 0 40 EDAB C[C@@H]1CN(C)CCN1CC(=O)Nc1ccn(Cc2ccccc2)n1 89939118 RARJQUFCQJEDMR-OAHLLOKOSA-N 327.432 1.506 0 40 EDAB Cc1n[nH]c([C@H]2CN(Cc3cc(=O)n4c(C)csc4n3)CCO2)n1 76048054 MPAIPBALOISRQR-GFCCVEGCSA-N 346.416 1.064 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)c3cn4ccccc4n3)CC2)S1 76042307 OCWCFAMTYYUFNF-LBPRGKRZSA-N 329.429 1.583 0 40 EDAB O=C(c1cnccn1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1 306123569 AQMFGGCTSBJUJB-CQSZACIVSA-N 349.398 1.452 0 40 EDAB COc1cncc(S(=O)(=O)N2CC[C@](C(=O)O)(C(C)C)C2)c1 519829969 YDZARHMXLDPZDG-CQSZACIVSA-N 328.390 1.212 0 40 EDAB CN(CCN1CCCC1=O)C(=O)c1cc(N2CCCC2=O)ccc1F 525575932 CESUKWQYXAONCD-UHFFFAOYSA-N 347.390 1.647 0 40 EDAB CN1C[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC1=O 527225773 MPXITIZHUAVORG-WCFLWFBJSA-N 339.342 1.674 0 40 EDAB C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 79039001 LMYMIHBQUIVGBA-RBSFLKMASA-N 346.493 1.512 0 40 EDAB CCNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)OC)C1 79044868 LMTJGRXIYWBTDC-GFCCVEGCSA-N 333.388 1.853 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)Nc2cc(Cl)ccc2N(C)C)C1 77497847 ZBEIGOGDKSOXAY-CYBMUJFWSA-N 339.871 1.773 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(C[C@H](O)c3ccccc3Cl)C2=O)cn1 72914623 WUQFBTMZAHOHDR-WFASDCNBSA-N 347.802 1.725 0 40 EDAB CC(=O)NC1CCC(N2CC[C@@H](CO)N(C)c3cccnc3C2)CC1 225496803 IOGSCHZTWSAWQH-JCYILVPMSA-N 346.475 1.532 0 40 EDAB biogenic,in-vitro O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCc1ccccn1 48401358 TYACJGFBAPAMRU-UHFFFAOYSA-N 334.379 1.664 0 40 EDAB Cn1cc(NC(=O)Cn2cc(COc3ccc(F)cc3)nn2)cn1 227161240 WKHNTHCRYBBVGG-UHFFFAOYSA-N 330.323 1.368 0 40 EDAB COc1ccccc1C1=NO[C@](C)(C(=O)NCCN2CCOCC2)C1 222284029 OTSOFSBTWXTYIX-SFHVURJKSA-N 347.415 1.027 0 40 EDAB O=C(CNC[C@@H]1CCCO1)N1CCN(c2ccc(Cl)cc2)CC1 225474782 FWPLVFGRPGJLRS-INIZCTEOSA-N 337.851 1.757 0 40 EDAB Cn1cc(Br)cc1C(=O)NCCc1nncn1C1CC1 80173027 VYUAEPIUDXPSIL-UHFFFAOYSA-N 338.209 1.687 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)[C@H]3COc4ccccc4O3)C2)n1 41123593 HQFCISZDQJOQBT-IUODEOHRSA-N 329.356 1.924 0 40 EDAB Cc1nnc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)s1 329964251 UKBNJUXXXHXEPC-AWEZNQCLSA-N 331.445 1.836 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@@H](C)C(C)(C)C)CC1 87133634 YUSQJGPWUQEQBY-GJZGRUSLSA-N 338.496 1.759 0 40 EDAB CN(C)S(=O)(=O)CC(=O)NCC1(c2cccs2)CCCCC1 225576689 GWEQJHBHNWYQHO-UHFFFAOYSA-N 344.502 1.958 0 40 EDAB Cc1cc(C)cc([C@H](O)CNC(=O)NCC(=O)N2CCCCC2)c1 225756582 SJEUVIDRDVQGGY-MRXNPFEDSA-N 333.432 1.649 0 40 EDAB C[C@H]1CN(C(=O)NCCc2c[nH]c3ccccc23)CCS(=O)(=O)C1 192142028 FTYZAPNPXBKONN-ZDUSSCGKSA-N 349.456 1.787 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2cnn(C)c2)cc1 583616181 SFCDCQJNTVUTKW-SJLPKXTDSA-N 329.400 1.941 0 40 EDAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CCN(C)S3(=O)=O)c(OC)c1 225953289 PTYWDTNGMALWIC-ZUZCIYMTSA-N 340.401 1.066 0 40 EDAB Cc1noc(C)c1[C@@H](C)NC(=O)NCC(=O)N(C)CC(F)(F)F 96440819 CAFFETOHARHDME-SSDOTTSWSA-N 336.314 1.672 0 40 EDAB CC(C)Nc1ccnc([C@H]2COCCN2C(=O)Cc2ccccn2)n1 96209834 JPIQIWJLSSONQW-OAHLLOKOSA-N 341.415 1.835 0 40 EDAB Cc1ccc(N[C@H]2CO[C@]3(CCCN(c4nncs4)C3)C2)nn1 96073784 HYEVTKWTLYQWPF-IUODEOHRSA-N 332.433 1.877 0 40 EDAB Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3S(=O)(=O)C2CC2)n1 96184215 JIJHGSJKERNOGA-LSDHHAIUSA-N 335.429 1.057 0 40 EDAB CCOc1cc(C=O)cc(Cl)c1OCC(=O)N1CCOCC1 95095106 RMVQVUZLGOLNAU-UHFFFAOYSA-N 327.764 1.789 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CN(c3ncc(F)cn3)C[C@H]1O2 96253347 HHQDOUADDNNEIM-HZSPNIEDSA-N 329.335 1.243 0 40 EDAB Cc1nnc2n1C[C@@H](N[C@@H](C)C(=O)N1CCCc3ccccc31)CC2 97199491 LMUABQCURYGZAF-BBRMVZONSA-N 339.443 1.859 0 40 EDAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCc2n[nH]c(=O)cc2C1 238882688 PNUDUWZQYDNLFI-GWCFXTLKSA-N 347.802 1.864 0 40 EDAB CO[C@H]1CCN(C(=O)CS(C)(=O)=O)C[C@@H]1Cc1cccc(C)c1 96110538 RFWZIXVJFZYJHJ-HOTGVXAUSA-N 339.457 1.446 0 40 EDAB Cc1ccc(C(=O)N2CCc3c(CN4CCCC4)nn(C)c3C2)cn1 96084174 ZGSWSEIIEQJNGS-UHFFFAOYSA-N 339.443 1.918 0 40 EDAB C[C@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1ccc[nH]1)CC2 96070264 XXAGVYHTEWQDEO-CYBMUJFWSA-N 331.416 1.647 0 40 EDAB COc1cc(N2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)ncn1 96187158 GUVHCMZTKWUCOO-VKJFTORMSA-N 342.399 1.833 0 40 EDAB CC1CCC(O)(CN2CCC[C@H](CNS(=O)(=O)C(C)C)C2)CC1 96483278 LTFOFAJQMZEOBR-AQFXKWCLSA-N 346.537 1.967 0 40 EDAB CN(C)C(=O)N1CCc2c(nnn2C)[C@@H]1COCc1cccnc1 96045320 AZLYSQKXTYKHPC-AWEZNQCLSA-N 330.392 1.008 0 40 EDAB CCc1nn(C)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 91021736 KUXDFGVLBJKAML-UHFFFAOYSA-N 334.401 1.069 0 40 EDAB O=C(c1ccc(-n2ccnc2)cc1)N1CCN(c2cnccn2)CC1 25344171 VDCCENAKZAYFMO-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB Cc1cc([C@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)nc(C)n1 257323964 WMPJREMPIXNESZ-QGZVFWFLSA-N 343.431 1.668 0 40 EDAB COC(=O)[C@H]1CCc2nnc(C3CCN(c4ncccn4)CC3)n2C1 601044828 ROSIMAKAOGJGNP-ZDUSSCGKSA-N 342.403 1.188 0 40 EDAB COc1cc(CCC(=O)N[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)on1 257264732 LVVLZMUGZKJWBT-XJKCOSOUSA-N 334.376 1.002 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N[C@@H]1CCc2n[nH]c(=O)cc2C1 253475770 XVKQGPZHAYGHBY-ZABGRMTBSA-N 339.351 1.186 0 40 EDAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1 257261239 LGHUOOAIQAZXFS-GFCCVEGCSA-N 337.383 1.595 0 40 EDAB CN1CCC(N(c2ccccc2)S(=O)(=O)N=S(C)(C)=O)CC1 585086129 JQTIXQBFKVDQAA-UHFFFAOYSA-N 345.490 1.560 0 40 EDAB CCc1nccn1CC(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 257293857 QRMKLZQRSMUNJB-SFHVURJKSA-N 343.431 1.968 0 40 EDAB Cn1c(=O)c2ccc([C@@H]3CCNC3)nc2n(Cc2ccccc2)c1=O 257266706 MEDFJDGTKFOLDL-CQSZACIVSA-N 336.395 1.220 0 40 EDAB COc1ccc(CC(=O)NC2CN(C(C)=O)C2)cc1OC(F)F 528656556 ZKXRMGNNXWKGOA-UHFFFAOYSA-N 328.315 1.186 0 40 EDAB CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccco2)Cc2ccnn21 253489942 GXVMMNQYVGFMHT-CQSZACIVSA-N 338.433 1.362 0 40 EDAB CNC(=O)c1cnn2c([C@@H]3CCN(C4CCOCC4)C3)ccnc12 257273598 NHIOLIMHELIRIT-GFCCVEGCSA-N 329.404 1.057 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(Cc2cccc(C(F)(F)F)c2)C1 257320003 VUYGEVBLNGXRMR-CYBMUJFWSA-N 329.366 1.815 0 40 EDAB O=C(c1cnccn1)N1CCC2(CCO[C@@H]2Cc2cncnc2)CC1 257333420 YBLHGNLCRMUROF-MRXNPFEDSA-N 339.399 1.521 0 40 EDAB Cc1ccccc1C(C)(C)CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 69453778 SCNSWHDCODQTMT-UHFFFAOYSA-N 343.427 1.707 0 40 EDAB CCS(=O)(=O)CCN1CC2(C[C@@H](Oc3cccnc3)CCO2)C1 253488762 BTDYAQXEGUAZON-AWEZNQCLSA-N 340.445 1.129 0 40 EDAB COc1ccc(CCC(=O)O)cc1NS(=O)(=O)c1cn(C)cn1 268008726 QJSYDVVWLWWKAN-UHFFFAOYSA-N 339.373 1.247 0 40 EDAB CS(=O)(=O)C1(CNS(=O)(=O)c2ccc3c(c2)CCC3)CC1 280382361 ZJIYCIHHOTXEGE-UHFFFAOYSA-N 329.443 1.031 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CCC(Oc2cnccn2)CC1 90678171 APFBULAXMMMCFM-UHFFFAOYSA-N 337.376 1.848 0 40 EDAB COc1coc(C(=O)Nc2nc(COc3ccccc3)n[nH]2)cc1=O 604418458 HMHUDYDMWWFUSM-UHFFFAOYSA-N 342.311 1.598 0 40 EDAB N[C@@H]1CC12CCC(NC(=O)Cc1ccn(CC(F)(F)F)n1)CC2 1615546973 QXSXHFDHOYJRDH-KSGYAGIASA-N 330.354 1.764 0 40 EDAB Cn1nc(-c2ccncc2)cc1C(=O)NC1CCC2(CC1)C[C@@H]2N 1615544815 AYHFGAMGTRRVHQ-MNQCNDSGSA-N 325.416 1.872 0 40 EDAB O=C(c1cn[nH]c1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575414921 QLFKBVHBYVOGDM-GFCCVEGCSA-N 325.415 1.473 0 40 EDAB CCCN1CCO[C@@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 585101549 QPNKOJYJNFNYBN-KRWDZBQOSA-N 337.395 1.174 0 40 EDAB O=S(=O)(NCC[C@@H]1CN(C2CCC2)Cc2cccn2C1)C1CC1 585095240 JDZPWERZECRLKH-AWEZNQCLSA-N 337.489 1.944 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)Cc1cc(C)ccc1OC 585279601 VZDDGCBXOWWQFU-IBGZPJMESA-N 348.443 1.690 0 40 EDAB Cc1cccc(OC[C@]2(O)COCCN(CC3(O)CCCC3)C2)c1 585287263 LQYSZOCHNDGURV-LJQANCHMSA-N 335.444 1.742 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCc1nc(-c2ccccc2)no1 65458624 LLKJQOHGIJODQK-TZMCWYRMSA-N 342.399 1.782 0 40 EDAB Cc1nccn1[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 70040884 VQCFPBZZPDEWNM-MRXNPFEDSA-N 337.387 1.645 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 36674513 XXGYRZOKAHQAEH-JSGCOSHPSA-N 346.383 1.106 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCCc2cnn(-c3ccccc3)c2)C1 44895581 JPTPVRMCLIWILM-HNNXBMFYSA-N 341.415 1.322 0 40 EDAB Cc1cc(C)cc(N(C)CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c1 54291394 CHLIBNLMUTXHPG-UHFFFAOYSA-N 342.399 1.390 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)NCCOc2ccc(F)cc2)C1 48251963 QZBCWNBOBZXTIV-CYBMUJFWSA-N 347.394 1.922 0 40 EDAB Cc1nc(C)c(C(=O)N2CCCN(CCn3cccn3)CC2)s1 75162620 AGINGABXNYKWBZ-UHFFFAOYSA-N 333.461 1.805 0 40 EDAB CCN(C[C@H]1CN(C[C@H](O)c2ccccc2)CCO1)c1cccnn1 89969165 ZQUXLRCPGXDVJH-MSOLQXFVSA-N 342.443 1.737 0 40 EDAB Cc1nc2cc(C(=O)N3C[C@@H](C)[C@@H](N4CCOCC4)C3)ccc2[nH]1 95467431 FTLAOGYGKTWBEH-PXAZEXFGSA-N 328.416 1.664 0 40 EDAB CCCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O 5129416 IKBBOYNAMURTJB-UHFFFAOYSA-N 325.434 1.923 0 40 EDAB COC(OC)[C@]1(CCc2ccc(Cl)cc2)NC(=O)N(C)C1=O 5743081 NNUOCJZYOOCJFC-OAHLLOKOSA-N 326.780 1.812 0 40 EDAB NS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc[nH]2)ccc1Cl 12861920 IZMWCDWEPYJVDF-UHFFFAOYSA-N 342.760 1.355 0 40 EDAB Cc1nc(=O)c2cccnc2n1C1=CCN(C(=O)c2ccccn2)CC1 19240586 XSYRSZRDKYHLFX-UHFFFAOYSA-N 347.378 1.882 0 40 EDAB CCN(c1ccc(OCC(=O)N[C@H](C)COC)cc1)S(C)(=O)=O 19937808 QKEWUWABVFBRAD-GFCCVEGCSA-N 344.433 1.002 0 40 EDAB CCOC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1 2961192 DQZYAERRYSISAC-UHFFFAOYSA-N 349.431 1.821 0 40 EDAB CCCNC(=O)Cn1c(-n2nc(C)cc2C)nc2c(c1=O)CCC2 9520889 GVUBNYLFOUUAFB-UHFFFAOYSA-N 329.404 1.061 0 40 EDAB NC(=O)C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 169511 MCSAWLNKPWKBMX-UHFFFAOYSA-N 330.837 1.311 0 40 EDAB CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 10515562 NMMMVIHJPLVMSQ-UHFFFAOYSA-N 348.380 1.887 0 40 EDAB CCNC(=O)NC(=O)COc1ncnc2c1cnn2-c1ccccc1 7007249 HUJUZLBXDRRABY-UHFFFAOYSA-N 340.343 1.040 0 40 EDAB Cn1cc(-c2ccc(CCNC(=O)c3cccn(C)c3=O)s2)cn1 1889149156 MZCNNTFAQCHBAI-UHFFFAOYSA-N 342.424 1.820 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037905603 OSNFXVVHAMHLCA-QGZVFWFLSA-N 338.379 1.084 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)n1 2037905629 SSCZTGSOWHNBPY-GOSISDBHSA-N 347.390 1.995 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037909015 MERNHPJNBMCJFA-GOSISDBHSA-N 347.390 1.914 0 40 EDAB Cc1cc([C@H](O)CNC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)o1 1565519957 AETGSCMVICHJLJ-MLGOLLRUSA-N 330.384 1.923 0 40 EDAB COC1(CC(=O)N2CCc3ncnc(NC4CC4)c3CC2)CCC1 1565545252 YJTSJHMWFACMHT-UHFFFAOYSA-N 330.432 1.937 0 40 EDAB COc1nn(C)cc1C(=O)NCCn1ccnc1-c1ccccn1 217861557 BXRVLPTUSVZQQT-UHFFFAOYSA-N 326.360 1.117 0 40 EDAB Cc1nc(C(=O)NCc2nnc3n2CCC3)nn1-c1ccc(F)cc1 40025404 USZKNKUOTPDHNR-UHFFFAOYSA-N 341.350 1.183 0 40 EDAB Cc1nc(C(=O)NCCCN2CCOCC2)nn1-c1ccc(F)cc1 40474292 WYIBUHFLGBXMMK-UHFFFAOYSA-N 347.394 1.167 0 40 EDAB CCN(CC)S(=O)(=O)N(CC)Cc1ccc2c(c1)OCCO2 40488006 GDHICSXDFVUVTA-UHFFFAOYSA-N 328.434 1.866 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1=O 40553951 GWWCDFFIECVJMW-OFQRWUPVSA-N 344.411 1.971 0 40 EDAB CCOc1ncccc1CNS(=O)(=O)c1ccc2c(c1)CCO2 40501656 QKFCRFQNPVNNJF-UHFFFAOYSA-N 334.397 1.894 0 40 EDAB Cc1cc(C)n(CCCNC(=O)CN(C)C(=O)c2cccs2)n1 40506229 NQZYDGBKQBQISE-UHFFFAOYSA-N 334.445 1.840 0 40 EDAB O=C(COc1ccc(F)cc1)N1CCN(CCc2ccccn2)CC1 21786923 DZOBLHCKOLFTOC-UHFFFAOYSA-N 343.402 1.986 0 40 EDAB O=C(c1cc(-c2cccnc2)on1)N1CCN(c2ncccn2)CC1 41460948 OYCKOMRNWPBLCR-UHFFFAOYSA-N 336.355 1.489 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)CN2CCc3ccccc32)cc1 131432 VPXUECXGOGSHFO-UHFFFAOYSA-N 331.397 1.335 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ncccc2O)no1 22262785 GNSFRMGPZLCTRL-SECBINFHSA-N 336.373 1.783 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O 41841893 MDQULEJHPYHRFR-ODSJRVHRSA-N 347.459 1.184 0 40 EDAB Cn1c(NCC2(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 53555278 WRFAKFSEPGWLNA-UHFFFAOYSA-N 325.372 1.104 0 40 EDAB COc1nc(=O)n([C@@H]2CCCCO2)cc1I 4974488 GLBHNHZDYNZSGI-QMMMGPOBSA-N 336.129 1.556 0 40 EDAB COC(=O)CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)NC1=S 6950128 DBYRCMZBBQZQLS-UVTDQMKNSA-N 345.424 1.517 0 40 EDAB CN(CCOc1ccccc1F)Cc1nc2c(cnn2C)c(=O)[nH]1 54417909 PFFIHVLTRRRWPD-UHFFFAOYSA-N 331.351 1.307 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2ccncc2)CC1 23701343 DENHWMIXLSWUFH-GOSISDBHSA-N 339.395 1.566 0 40 EDAB COc1ccccc1CC(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C 72283894 RGBHUZMBVWJDQS-UHFFFAOYSA-N 340.383 1.507 0 40 EDAB O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)N2CCCCC2)CC1 24501682 OBMSGFFEWHMWNF-UHFFFAOYSA-N 341.415 1.927 0 40 EDAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2nnn(C)n2)c1 8053790 NQXRPKAWTRKKPM-SECBINFHSA-N 334.405 1.514 0 40 EDAB CC(C)n1nc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc2c1=O 8276551 NMANATYJNJYHHV-UHFFFAOYSA-N 342.399 1.315 0 40 EDAB C[C@@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)[C@@H]1C[C@H]2CC[C@H]1C2 106584125 KNRMQZIGLQWLPF-CQVTUSFPSA-N 333.432 1.696 0 40 EDAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269440 WRBCVYQCHUZUSJ-FJIDUMEYSA-N 344.455 1.856 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(CCC(=O)NC3CCCCC3)CCO2)n1 72268130 RZCBQLJBXSWKBR-KRWDZBQOSA-N 349.479 1.435 0 40 EDAB CCOCC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C(=O)COCC 72297946 UFHCTFVGOQZYOS-HNNXBMFYSA-N 340.395 1.514 0 40 EDAB C[C@H]1CCCN(C[C@H](C)NC(=O)Cn2c(=O)cnc3ccccc32)C1 106573583 AJJQJRHSLRILMF-GJZGRUSLSA-N 342.443 1.633 0 40 EDAB C[C@H](C(=O)NCc1nnc2ccccn12)n1c(=O)oc2ccccc21 25010911 HOSUNXDRDSXJGN-LLVKDONJSA-N 337.339 1.515 0 40 EDAB COCCN1CCN([C@H](C)C(=O)NCC2CCCCC2)C[C@@H]1C 106776543 DQEUGBCVAZNVFZ-JKSUJKDBSA-N 325.497 1.724 0 40 EDAB CNC(=O)CN1CCC(NC(=O)Cc2ccc3c(c2)CCCC3)CC1 25230468 WXUHJXTXRRFYJF-UHFFFAOYSA-N 343.471 1.435 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CCCC(C)C)n(C)c1 25345893 GBONHVZRMZNAFN-LBPRGKRZSA-N 329.466 1.878 0 40 EDAB Cc1[nH]c2ccccc2c1CC(=O)NC1CCN(CC(N)=O)CC1 43773908 BBNFABZMRQWUTP-UHFFFAOYSA-N 328.416 1.085 0 40 EDAB CN1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)[C@H]1c1ccc(Cl)c(F)c1 107536158 ZJAPYASBSCMIMC-GZBFAFLISA-N 339.798 1.619 0 40 EDAB O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC(c2nnc3n2CCC3)CC1 57146382 JESCFYJJKJSWPE-UHFFFAOYSA-N 347.806 1.586 0 40 EDAB CCn1cc(C(=O)NCc2ncnn2C)c(=O)c2cc(Cl)ccc21 97114120 DLYWVGGWBSJFGK-UHFFFAOYSA-N 345.790 1.733 0 40 EDAB O=C(NCCCn1cccn1)C(=O)Nc1ccn(-c2ccccc2)n1 58158959 ZXUSHZWCIZKIAV-UHFFFAOYSA-N 338.371 1.214 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 58296155 XTBMFDARKXQTAQ-SNVBAGLBSA-N 348.827 1.968 0 40 EDAB Cc1cccc(NC(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)n1 57355313 DNVVOQFIDUPICJ-UHFFFAOYSA-N 343.387 1.377 0 40 EDAB Cc1nc(/C=C/C(=O)NCCCn2nc3ccccn3c2=O)cs1 58304625 CIERKILEIJBFNX-VOTSOKGWSA-N 343.412 1.481 0 40 EDAB C[C@H](NC(=O)[C@H](C)Sc1ccc(Br)cc1)C(N)=O 48294362 NFPIMTHSZVNOKP-YUMQZZPRSA-N 331.235 1.920 0 40 EDAB Nc1c(C(=O)NCc2ccccc2)sc2[nH]c(=O)c(C(=O)O)cc12 2272914 DKJZUFYCWDFSOA-UHFFFAOYSA-N 343.364 1.800 0 40 EDAB O=C(O)[C@@H]1[C@H]2C[C@@H]2CN1S(=O)(=O)c1ccc(Br)cc1 106349990 UWSISCWAFROVHI-GGVZMXCHSA-N 346.202 1.543 0 40 EDAB COC(=O)c1ccc(COC(=O)CNC(=O)c2cccc(OC)c2)o1 3391847 NCRMEZLIKLKVPC-UHFFFAOYSA-N 347.323 1.548 0 40 EDAB CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 45600227 JWDURTUXTLKQLG-ZBUUCQELSA-N 347.459 1.056 0 40 EDAB C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NCc1ccco1 46586064 TZGLNPXGCGPJLO-SNVBAGLBSA-N 341.323 1.378 0 40 EDAB CC(C)CNC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 72325104 WKEPFWQTYWGHEX-HNNXBMFYSA-N 329.400 1.410 0 40 EDAB biogenic CCOC(=O)C1=C(COC(=O)c2ccc(F)cc2F)NC(=O)NC1 12929814 ZMERBCGOZBZNQB-UHFFFAOYSA-N 340.282 1.252 0 40 EDAB COc1ccccc1N(CCC(N)=O)C(=O)CN1C[C@H](C)O[C@@H](C)C1 12983907 OEORRVCFMBVOGM-KBPBESRZSA-N 349.431 1.013 0 40 EDAB O=C(COCC(=O)N1CCOCC1)Nc1cccc(C(F)(F)F)c1 9095092 YHSHSNAIUSNEGC-UHFFFAOYSA-N 346.305 1.519 0 40 EDAB CC(C)CNC(=O)CSc1nc2ccccc2c(=O)n1CCCO 5040365 YCTHLNGUFZVIMI-UHFFFAOYSA-N 349.456 1.643 0 40 EDAB C[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 65479515 KBWRGTSTBGCUFJ-RDJZCZTQSA-N 345.443 1.045 0 40 EDAB COCCNC(=O)CN(C)c1ncnc2c1cnn2-c1ccccc1 65437372 BDOZFKHLXHEZFH-UHFFFAOYSA-N 340.387 1.014 0 40 EDAB CSCC[C@@H](NC(=O)CCNC(C)=O)c1nc2ccccc2[nH]1 6456771 TZPUBKFFZRHWFX-CQSZACIVSA-N 334.445 2.000 0 40 EDAB CC(C)CN(Cn1ncc2ccccc2c1=O)[C@@H]1CCS(=O)(=O)C1 14197978 GENYLOHQZQBHCN-OAHLLOKOSA-N 349.456 1.499 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)N1CCc2sccc2C1 14139673 YACCSJNRFCWHEX-UHFFFAOYSA-N 343.456 1.245 0 40 EDAB Cn1cc(N2CCC[C@H](NC[C@H]3CCCn4ccnc43)C2=O)cn1 84318622 MGJQWLZASHOUPZ-HIFRSBDPSA-N 328.420 1.279 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cc(C)nc3c2c(C)nn3C)CC1 14815169 DACGQCPXXGKVGY-UHFFFAOYSA-N 345.403 1.499 0 40 EDAB CC[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@H]1N1CCOCC1 84735905 BVQIDTBGNAUJND-NVXWUHKLSA-N 342.443 1.446 0 40 EDAB CCCN(Cc1ccc(C)cc1)C(=O)CSc1nc(N)nc(N)n1 7020677 MZMUQWQVUUUOJB-UHFFFAOYSA-N 346.460 1.875 0 40 EDAB C[C@@H](CCc1ccccc1F)C(=O)N[C@H]1CCCN(CC(N)=O)C1 80243037 WANQOHOIPIDGKY-ZFWWWQNUSA-N 335.423 1.460 0 40 EDAB CC(C)CNc1nnc(S[C@H](C)C(=O)N2CCNC2=O)s1 7268625 YNTINMRHOYLPGP-MRVPVSSYSA-N 329.451 1.638 0 40 EDAB O=C(CCNC(=O)[C@H]1CC(=O)Nc2ccccc21)Nc1cccnc1 68128468 BLGOOLYRBGYKBT-AWEZNQCLSA-N 338.367 1.652 0 40 EDAB CCOC(=O)NCCC(=O)N1CSC[C@H]1C(=O)NCCC(C)C 68365464 QSVDOIGIGVJQFG-LBPRGKRZSA-N 345.465 1.186 0 40 EDAB O=C(CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1)N1CCCCCC1 110567600 DUDQCZWUYVUDOT-OKZBNKHCSA-N 347.503 1.969 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N[C@@H]1CCC[C@H]1n1ccnc1 71795578 QLKSULMIZAQQNY-HUUCEWRRSA-N 339.461 1.840 0 40 EDAB NC(=O)CCN(c1ccc(F)cc1)[C@H]1CCN(CC(F)(F)F)C1=O 77279940 QUPSZVNYZJATII-LBPRGKRZSA-N 347.312 1.671 0 40 EDAB NCC(=O)N(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 79392990 YNKOXGZPALGJEK-OAHLLOKOSA-N 331.416 1.595 0 40 EDAB CCn1ccnc1CN1CCN([C@H](C)C(=O)Nc2cc(C)on2)CC1 69444468 LGUGAVYMKKXTSN-CQSZACIVSA-N 346.435 1.344 0 40 EDAB CCc1noc([C@H](C)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 69418245 WVTDUGKGVQBAFA-BBRMVZONSA-N 343.431 1.537 0 40 EDAB O=C(NCC1(O)CCCCC1)N[C@H]1CCN(c2ccccc2)C1=O 69474876 GDEBRLICYISQCS-HNNXBMFYSA-N 331.416 1.786 0 40 EDAB Cn1cnnc1C1CCN(C(=O)c2cccc3c2OCCO3)CC1 69433475 DWPISUJQOBIENB-UHFFFAOYSA-N 328.372 1.606 0 40 EDAB CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C3CC3)C2=O)cc1 95441689 UGLURVXJMPEPLC-CQSZACIVSA-N 330.388 1.321 0 40 EDAB Cc1cc(C)n(-n2c(=S)[nH]c3ccccc3c2=O)c(=O)c1C(N)=O 8409859 XETCYZCKPQJRBL-UHFFFAOYSA-N 342.380 1.248 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCCN(c2nc3ccccc3[nH]2)CC1 69533324 BVNWPAKSCARTNC-CYBMUJFWSA-N 327.432 1.742 0 40 EDAB CCS(=O)(=O)CCNC(=O)Nc1ccc2c(c1)OC(F)(F)O2 69521538 SLWYOVJODFZZSB-UHFFFAOYSA-N 336.316 1.564 0 40 EDAB CCOc1cccc(NC(=O)CCn2nc3ccccn3c2=O)c1 69599313 RSHHWBGZVUOSLC-UHFFFAOYSA-N 326.356 1.924 0 40 EDAB CN(Cc1ccccc1)C(=O)CN1CCCC[C@@H]1Cn1cncn1 69654152 NXSTVFLPCPWJHQ-QGZVFWFLSA-N 327.432 1.791 0 40 EDAB COCCN(CC(N)=O)C(=O)[C@H](C)Oc1ccccc1C(F)(F)F 69619513 MYQPVBOVFBFPOV-JTQLQIEISA-N 348.321 1.433 0 40 EDAB C[C@H](OC(=O)C1=NN(C)C(=O)CC1)C(=O)Nc1cccc(Cl)c1 17733974 IGCQMNCDROAVJJ-VIFPVBQESA-N 337.763 1.818 0 40 EDAB C[C@H](C(=O)NCCCNc1ncccn1)N1CCc2ccccc2C1 71897899 QMGJAJUOFOXZKP-OAHLLOKOSA-N 339.443 1.842 0 40 EDAB O=C(CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)NC1CC1 69744533 YXVGFSVQLLCSTF-UHFFFAOYSA-N 337.427 1.544 0 40 EDAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCN(CCO)CC1 69705715 ZQWGBHSUMMLQOM-CYBMUJFWSA-N 341.402 1.094 0 40 EDAB O=C(c1cccc(N2CCNC2=O)c1)N1CCC[C@H](n2ccnc2)C1 69774709 IOYCRGGXBLLTED-INIZCTEOSA-N 339.399 1.890 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@H](n3ccnc3C)C2)ccc1=O 69740772 KMCCXYOWUVHQTA-AWEZNQCLSA-N 329.404 1.636 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(Cl)cn2)cn1C 69703644 RWDQYDCSCDWJLK-UHFFFAOYSA-N 342.808 1.258 0 40 EDAB Cc1cc(C)c2cc(C(=O)NCCC(=O)N3CCN(C)CC3)[nH]c2c1 71821549 XCXZILBPINPJHF-UHFFFAOYSA-N 342.443 1.679 0 40 EDAB CCO[C@H]1CCCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1 71827130 UANNZJBTRGHGQG-ZDUSSCGKSA-N 345.399 1.107 0 40 EDAB COc1ccc(CNC(=O)Cn2nc3c(cc2=O)CCCC3)cc1 8600542 XYAAUMSXOIZBFP-UHFFFAOYSA-N 327.384 1.447 0 40 EDAB CCCOc1ccccc1NC(=O)NC1CCN(CC(=O)NC)CC1 71849604 DTECDDYAGSVOAI-UHFFFAOYSA-N 348.447 1.807 0 40 EDAB COc1ccc2c(CC(=O)N3CCn4c(C)nnc4C3)coc2c1 69877333 CYTQIEWAPXWOTD-UHFFFAOYSA-N 326.356 1.926 0 40 EDAB C[C@H](NC(=O)N1CCC[C@@H](CO)C1)C(=O)N1CCc2ccccc21 71855138 LQAFOIOMPSEBKL-UONOGXRCSA-N 331.416 1.378 0 40 EDAB Cc1c(F)cc(C(N)=O)cc1NCc1nc(C(F)(F)F)cc(=O)[nH]1 92215739 KFEVTGLJWHXROQ-UHFFFAOYSA-N 344.268 1.947 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccn(-c2cccc(F)c2)n1 71829447 NFRNMMRBZWWPFC-VXGBXAGGSA-N 330.363 1.737 0 40 EDAB CN(C)[C@@H]1CCCN(C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)C1 83847917 YXMXDGNFZFMMSH-UONOGXRCSA-N 330.432 1.848 0 40 EDAB C[C@@H](NC(=O)c1cc[nH]n1)c1cc(F)ccc1N1CCN(C)CC1 72062812 UBEOUQLRUBLAPK-GFCCVEGCSA-N 331.395 1.792 0 40 EDAB CNC(=O)c1ccc(CNC(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1 72270066 AHUDTVDSAIAYCV-MRXNPFEDSA-N 344.459 1.862 0 40 EDAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCCc1nccs1 95963176 YJFJTRLGVWSNSA-UHFFFAOYSA-N 348.819 1.809 0 40 EDAB CC(C)n1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccccn2)C1 95986150 HYIVHSALWYCXFS-ZDUSSCGKSA-N 335.433 1.822 0 40 EDAB COc1ccc(NC(=O)C[C@H](CN2CCC(O)CC2)C(=O)O)cc1 71280215 VZZGNTMUVBKGJJ-GFCCVEGCSA-N 336.388 1.181 0 40 EDAB CNc1ncnc2ncn(C[C@H](O)COc3ccc(Cl)cc3)c12 75140162 UDDIUDZWRPFWSF-NSHDSACASA-N 333.779 1.961 0 40 EDAB CC(C)OC[C@H](O)CN1CCCN(c2nc3ccccc3[nH]2)CC1 89887783 VPMIZFMZDYPVGO-OAHLLOKOSA-N 332.448 1.861 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)C[C@@H]2CCS(=O)(=O)C2)no1 76043959 KMUZEHRJJKMKOH-QWRGUYRKSA-N 327.406 1.120 0 40 EDAB O=C(NCC1(Cc2ccc(F)cc2)CC1)N1CCn2ncnc2C1 548102754 XDXXBMFKZGVQIF-UHFFFAOYSA-N 329.379 1.965 0 40 EDAB Nn1c(S[C@H]2CCN(c3ccccc3)C2=O)nnc1C(F)(F)F 68043380 FDZHUVRJJUTKOS-VIFPVBQESA-N 343.334 1.908 0 40 EDAB O=C(c1ccccn1)N1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 211726089 XYUJBQSBVFMGLT-IAGOWNOFSA-N 337.379 1.334 0 40 EDAB CC[C@H](C)[C@@H](CO)NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O 503972286 WSIYPOIJJLVUDP-ZUZCIYMTSA-N 333.384 1.873 0 40 EDAB biogenic CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3nccs3)C[C@H]1C2 306143156 XUSFEMOHOYTHDF-VXGBXAGGSA-N 346.460 1.177 0 40 EDAB CO[C@@H]1CN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC[C@H]1C 187398865 SWKXMVXTJRQCGW-FRRDWIJNSA-N 337.386 1.937 0 40 EDAB Cc1c(C(=O)OCC2(C)COC2)nnn1-c1ccc2c(c1)OCCO2 78768470 YTSDVPDJICBURC-UHFFFAOYSA-N 345.355 1.540 0 40 EDAB Cc1cccc(CN2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)n1 72335543 COTYGZXBFODMIF-UHFFFAOYSA-N 325.416 1.632 0 40 EDAB CC(C)C[C@@H](NC(=O)Cn1nc(-c2ccco2)ccc1=O)C(=O)O 71335414 PUSUCABRYPGDGJ-GFCCVEGCSA-N 333.344 1.119 0 40 EDAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1 73768342 IFQLEGGAKVAYFH-UHFFFAOYSA-N 330.381 1.597 0 40 EDAB COC[C@@H](C)Nc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)O 217574167 ADSXRCGKXMAMRA-SECBINFHSA-N 328.390 1.272 0 40 EDAB CCN(C[C@H]1CCCN1C(=O)[C@H](C)N)C(=O)OCc1ccccc1 79412846 HWDSCIZJCKXORD-GOEBONIOSA-N 333.432 1.983 0 40 EDAB CN(C)C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCC1 34784627 VWPOMXQYSJWWOW-UHFFFAOYSA-N 346.456 1.839 0 40 EDAB CC(C)(C)NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 44947609 YBZMDSKPPHVZDY-UHFFFAOYSA-N 340.445 1.377 0 40 EDAB Cc1cc(C)n(CCNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)n1 40776583 LGZGOIQITQGZGD-QGZVFWFLSA-N 328.372 1.406 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)CN1CCOc2ccc(Cl)cc21 81011132 RLTQBTLIZUOBDO-LLVKDONJSA-N 335.795 1.335 0 40 EDAB CC1(C)Oc2cc(S(=O)(=O)NCc3ccco3)ccc2NC1=O 46088691 GWIKQGCGRFFWTB-UHFFFAOYSA-N 336.369 1.868 0 40 EDAB CNC(=O)C1CCN(C(=O)NCCOc2ccccc2OC)CC1 44892503 ZDNSXRXPFCQOTE-UHFFFAOYSA-N 335.404 1.242 0 40 EDAB CCc1cnc(CN(C)C(=O)NC[C@H](C)N2CCOC[C@@H]2C)s1 83231774 KBTJDQOYCGWOGD-STQMWFEESA-N 340.493 1.956 0 40 EDAB Cc1ccc(N[C@@H]2CO[C@]3(CCCN(c4ncccn4)C3)C2)nn1 96048471 CAQDZPSRULXOFQ-WMLDXEAASA-N 326.404 1.815 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCC(CCN2C[C@H](C)O[C@H](C)C2)CC1 236719379 MEBRLOZRBCSSAI-UXLLHSPISA-N 325.497 1.708 0 40 EDAB Cc1noc(C[C@H]2C[C@H]3CN(C(=O)c4csc(C)n4)C[C@H]3O2)n1 96219031 AQBCIPLPWLSUBH-DMDPSCGWSA-N 334.401 1.615 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225822 WKAQEUJBHFKQTF-DFHBCGBQSA-N 342.399 1.101 0 40 EDAB O=C(Nc1cnccn1)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 96042817 WOFZMICLLBWEJQ-RRFJBIMHSA-N 328.372 1.688 0 40 EDAB COCC(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1 96096388 AHAZYJNAONQWHJ-UHFFFAOYSA-N 337.426 1.988 0 40 EDAB CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)C(F)(F)C2(O)CCCC2)C1 583619171 KEWPXBXKLDDLTI-MNOVXSKESA-N 344.362 1.044 0 40 EDAB COc1nn(C)c2c1CCCN(S(=O)(=O)c1cccc(F)c1)C2 96254492 TWHLLOROWNPSHW-UHFFFAOYSA-N 339.392 1.705 0 40 EDAB c1cnn(C[C@H]2CC[C@]3(COCCN(Cc4nccs4)C3)O2)c1 96160332 OLCIZIKGOPPHPB-ZBFHGGJFSA-N 334.445 1.790 0 40 EDAB c1cnc(N2Cc3nccn3C[C@@H](COCc3cccnc3)C2)nc1 96066876 NGTGSBZKXXPKIN-MRXNPFEDSA-N 336.399 1.921 0 40 EDAB C[C@H](CCO)CNC(=O)c1cn(-c2cccc(Cl)c2F)nn1 96494175 HMHDVVYGTDAPBT-SECBINFHSA-N 326.759 1.808 0 40 EDAB CN(C)CCOC[C@H]1CN(Cc2cccnc2)Cc2ccnn2C1 96188970 XWQJESINZXIEDW-KRWDZBQOSA-N 329.448 1.488 0 40 EDAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)O)CC1 91365954 CTLHBETWUJAUEH-UHFFFAOYSA-N 338.364 1.237 0 40 EDAB O=C1NC[C@H](COc2cccnc2)[C@]12CCN(Cc1cccnc1)C2 96215176 UTDOVSBZOUIQTP-VQIMIIECSA-N 338.411 1.494 0 40 EDAB O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(CC1CCCCC1)C2 96038723 HHZXSLIFJCGQLY-IEBWSBKVSA-N 336.476 1.907 0 40 EDAB COc1ncccc1CN1C[C@@H]2C[C@@H](CC(=O)NC3CCC3)O[C@@H]2C1 96217278 VAAXVDKGYRKISL-BHYGNILZSA-N 345.443 1.738 0 40 EDAB O=C(C[C@H]1C[C@H]2CN(c3ncccn3)C[C@H]2O1)NCc1cccs1 96208140 ZUNAGDRQZDXJIS-GZBFAFLISA-N 344.440 1.838 0 40 EDAB COc1cc(C)ccc1S(=O)(=O)N1CC[C@@H](OC)[C@H]2OCC[C@@H]21 96217403 YJHUEWAQLWSTLN-ZENOOKHLSA-N 341.429 1.571 0 40 EDAB Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)n(C)n1 96413528 HIZAMFCZUQJDAX-JOYOIKCWSA-N 334.326 1.618 0 40 EDAB CN1CCN(CC2CCN(C(=O)NC3[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)CC2)CC1 249395863 ZTROTGHZLMSJHR-WNRNVDISSA-N 346.519 1.700 0 40 EDAB C[C@@H](NC(=O)COC[C@H]1CCCO1)c1ccc(N2CCNC2=O)cc1 585089795 CNPSARDBVIMTGN-CZUORRHYSA-N 347.415 1.589 0 40 EDAB Cn1cncc1CC(=O)N(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 585126686 FWQPTIYXEHNSPP-UHFFFAOYSA-N 334.420 1.573 0 40 EDAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CN1C(=O)NC(C)(C)C1=O 257215523 CQNZCHZCXGDKMS-LLVKDONJSA-N 333.392 1.102 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CCc2cnccn2)cc1 257253745 KABVZBKJLLFIBE-MRXNPFEDSA-N 347.440 1.807 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)n1 257280893 OMVLXXFUVRESGD-INIZCTEOSA-N 342.399 1.193 0 40 EDAB CNC(=O)CN1CCC(c2nccnc2Nc2nc(C)cs2)CC1 257338876 YZGKBKCVVAQZDE-UHFFFAOYSA-N 346.460 1.911 0 40 EDAB Cn1cnc(C(=O)N2CCOC[C@@H](Cc3nccn4cccc34)C2)c1 257266346 MCPDXECYRNNVBS-AWEZNQCLSA-N 339.399 1.399 0 40 EDAB C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCN(c2cnccn2)CC1 42632800 VOPUROLOHYPFQK-INIZCTEOSA-N 339.443 1.646 0 40 EDAB CN(C)Cc1cccc([C@H]2CCCN2C(=O)CCN2CCOCC2)n1 257199659 AAIQMEBQUZJRPR-GOSISDBHSA-N 346.475 1.529 0 40 EDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)Cn2cc(C)cn2)n1 257336576 YPBLHMGKXPJTEU-KRWDZBQOSA-N 341.415 1.586 0 40 EDAB Cc1cnc([C@H]2CN(Cc3cccc(OCCO)c3)CCO2)cn1 257217639 CZXCMILKLOYPRC-GOSISDBHSA-N 329.400 1.730 0 40 EDAB Cc1c([C@@H](C)NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cnn1C 24998117 HYYRIKUJXJWQHS-CJNGLKHVSA-N 340.427 1.954 0 40 EDAB CN1CCN(C[C@@]2(O)CCN(C(=O)/C=C/c3ccccc3F)C2)CC1 257297529 RHQZPHCMXRJXIB-GHOSXJJBSA-N 347.434 1.050 0 40 EDAB CCCN(CC(=O)O)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 262424990 NPSXDVJKWLUBJW-UHFFFAOYSA-N 340.401 1.299 0 40 EDAB Cc1ccc(/C=C/S(=O)(=O)NCCn2cncc(C)c2=O)cc1 96119207 QZSDSNBQIUSTCV-JXMROGBWSA-N 333.413 1.450 0 40 EDAB COC(=O)c1n[nH]c2ccc(NC(=O)COc3cc(C)on3)cc12 25016394 YIEUHFFALUFFHN-UHFFFAOYSA-N 330.300 1.663 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@@H](C)c2ncon2)cc1C 1615001898 IRFZPAPKWHQWOK-LLVKDONJSA-N 325.390 1.859 0 40 EDAB CC[C@@H]1CN(c2nnnn2Cc2ccc(C(N)=O)cc2)C[C@@H](CC)O1 1616032154 CXAYEMMQLABRCB-HUUCEWRRSA-N 344.419 1.214 0 40 EDAB CCC(=O)NC1CCN(S(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 1616053177 DZAHDLCGSHWIEJ-CVEARBPZSA-N 336.457 1.863 0 40 EDAB CCn1cc(S(=O)(=O)NCCc2cc(C(F)(F)F)ccn2)cn1 292890277 UZMXQLHUHHMYKD-UHFFFAOYSA-N 348.350 1.838 0 40 EDAB CC(C)OC(=O)C[C@H](NC(=O)c1cc(=O)n(C)o1)c1ccccc1 390834565 DIKKGGLVMLOHIE-ZDUSSCGKSA-N 332.356 1.791 0 40 EDAB CCOCc1nnc2n1CCN(C(=O)c1cc(C3CC3)on1)[C@H]2C 585098138 UQITUUNORGUJMT-JTQLQIEISA-N 331.376 1.897 0 40 EDAB Cc1ccc(N2C[C@@]3(CCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)CC2=O)cc1 585101581 UAAVKJFWWQEZCZ-QXOCSCLMSA-N 340.423 1.843 0 40 EDAB CN(C)C(=O)C[C@@]1(O)COCCN(Cc2ccc(Cl)cc2F)C1 585280971 RAYVDMICSBMGIN-INIZCTEOSA-N 344.814 1.521 0 40 EDAB Cc1n[nH]c(C)c1CN1CCOC[C@](O)(COc2cccc(F)c2)C1 585278096 ZNMOKATVAKLBLL-SFHVURJKSA-N 349.406 1.808 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)CN1C(=O)CSc2ccccc21 68020168 RENPDPGMQBDHKE-NEPJUHHUSA-N 349.456 1.545 0 40 EDAB COc1ccnc(N2C[C@H]3CN(C(=O)c4cc(C)oc4C)C[C@H]3C2)n1 1065958483 LKPPXUUNVLDIGW-OKILXGFUSA-N 342.399 1.903 0 40 EDAB Cn1nc(CC(=O)N2CCO[C@H]3CCCC[C@H]32)c2ccccc2c1=O 40553834 KKKDHFDVZULHLP-SJORKVTESA-N 341.411 1.646 0 40 EDAB COCCN(CCOC)C(=O)c1sc2ncn(C)c(=O)c2c1C 41293355 KOPQLDFBWSGXRM-UHFFFAOYSA-N 339.417 1.038 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 16093416 VWTYSNJVIOAZQV-JTQLQIEISA-N 343.401 1.727 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C)CC2)cc1 17355715 IWYMQBNGBBYLNX-ZDUSSCGKSA-N 340.445 1.621 0 40 EDAB Cc1noc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 153968270 RFFHVQDNEUMIRF-UHFFFAOYSA-N 334.327 1.571 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NC[C@@H]1CCCO1)=N[C@H]2[C@H]1CC=CCC1 101264291 PDDQUYJKJXKOPI-OFQRWUPVSA-N 343.431 1.957 0 40 EDAB COc1cc(OC)cc(C(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)c1 643585389 FPWBUMLBGGEDQJ-WQVCFCJDSA-N 339.388 1.110 0 40 EDAB CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NC[C@H]1CCCO1 14033745 YUJMRIUQIMJXCN-VXGBXAGGSA-N 337.445 1.699 0 40 EDAB CCn1ccnc1CN(C(=O)CC1(CN)CC1)[C@@H]1CC12CCNCC2 570451411 MEASBAZLJSLORE-OAHLLOKOSA-N 345.491 1.503 0 40 EDAB COc1ccc(CCC(=O)OCC(=O)Nc2ccon2)cc1OC 11679745 MDHHSFGVYRIFCU-UHFFFAOYSA-N 334.328 1.806 0 40 EDAB Cc1cc2c(N3CCO[C@@H](C(=O)N4CCCCC4)C3)nccn2n1 1888854318 XUYPMAKMOFZIHS-OAHLLOKOSA-N 329.404 1.255 0 40 EDAB Cn1nc(COCC2CC2)c2c1CCN(C(=O)CC1(O)CCC1)C2 1565555795 PNYYETADFPAKJD-UHFFFAOYSA-N 333.432 1.537 0 40 EDAB Cc1ccc(CNC(=O)CN2CCC[C@H](NC(=O)C3CC3)C2)cc1 1391385739 XZIWPTYGPDZEBN-KRWDZBQOSA-N 329.444 1.602 0 40 EDAB CCCS(=O)(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4499705 QEJBZCHJDYWQRN-NSHDSACASA-N 342.417 1.139 0 40 EDAB CCC(=O)N1CC[C@@](Nc2cccc(F)c2)(C(=O)NCCOC)C1 2055747200 PPOFGCYGSITZBM-KRWDZBQOSA-N 337.395 1.381 0 40 EDAB CC(=O)N1CCC(Nc2ccccc2)(C(=O)N=c2ccn(C)[nH]2)CC1 2055759288 HBNAKORJAPEZHS-UHFFFAOYSA-N 341.415 1.274 0 40 EDAB CN([C@H]1CCCN(c2nc3cccnc3n2C)C1)S(=O)(=O)C1CC1 2086889308 FSALHOPRYMWKNC-LBPRGKRZSA-N 349.460 1.361 0 40 EDAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccc(O)cc1 36488768 WZHOWGULCGRQCS-KRWDZBQOSA-N 343.379 1.931 0 40 EDAB CC(C)c1cc(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)cn1 38509989 LXQBPECMBCMRKO-UHFFFAOYSA-N 329.356 1.412 0 40 EDAB COc1ccccc1C1(C(=O)N2CC(CN3C(=O)COC3=O)C2)CC1 575617638 YJYOEYGMTPMTDM-UHFFFAOYSA-N 344.367 1.164 0 40 EDAB Cc1noc(CN2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)n1 2298048036 BTFGMEXFXZIDJI-UHFFFAOYSA-N 342.403 1.444 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(c2nc3ccc(F)cc3s2)C1 641289585 OMFNLPVXWYMQRR-JTQLQIEISA-N 329.422 1.953 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)c2ccn(-c3ccccc3)n2)C1 40088834 TTYZILRGLDMDFY-KRWDZBQOSA-N 342.443 1.959 0 40 EDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)CCO2 40479791 WYIJTIBLBOVMGL-UHFFFAOYSA-N 343.360 1.649 0 40 EDAB CCOc1ccc(N[C@@H](CC)C(=O)OC)cc1S(=O)(=O)N(C)C 40480297 AULHLCOEAROQPC-LBPRGKRZSA-N 344.433 1.699 0 40 EDAB Cc1cc(Cl)ccc1S(=O)(=O)NCc1nnc2n1CCC2 40527130 JVWRGDNAJNQOQH-UHFFFAOYSA-N 326.809 1.665 0 40 EDAB CC(C)c1noc(CS(=O)(=O)CC(=O)NC2CCCCC2)n1 40528692 OWMZJMPWMPEIAB-UHFFFAOYSA-N 329.422 1.557 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1cc(F)ccc1-n1cnnn1 20714704 YHGRMNWXCRZDAT-UHFFFAOYSA-N 341.302 1.460 0 40 EDAB Cn1c(S)nc2cc(C(=O)NCc3cccnc3)ccc2c1=O 102354363 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EDAB O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 108130858 VFVVDNVCXWQWFC-SRABZTEZSA-N 342.443 1.917 0 40 EDAB C[C@@H]1OCCN(C(=O)N[C@H](Cn2cncn2)c2ccccc2)[C@H]1C 108358683 ZTMPPQPMVZOPBA-OFQRWUPVSA-N 329.404 1.838 0 40 EDAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)NC[C@H]1CCCO1 3271256 WMJVOLFKKVIVQC-LLVKDONJSA-N 331.324 1.245 0 40 EDAB Cc1cc(NC(=O)NCCN2CCN(c3ccccc3)CC2)no1 27352900 HASJZAPEJKTAGS-UHFFFAOYSA-N 329.404 1.927 0 40 EDAB CC1CCN([C@H](C)CNC(=O)Cc2ccc(-n3cnnn3)cc2)CC1 58168611 ASZGKLQGVWAERU-OAHLLOKOSA-N 342.447 1.441 0 40 EDAB CC(C)C[C@@H](NC(=O)c1ccnc(-n2ccnc2)c1)C(=O)N(C)C 58196192 VHAGHWNRLVZDML-CQSZACIVSA-N 329.404 1.500 0 40 EDAB COc1cc(Br)c(OC)c(C(=O)NCCNC(C)=O)c1 27672139 HUVKNLSTXKEFHH-UHFFFAOYSA-N 345.193 1.332 0 40 EDAB C[C@H](C(=O)Nc1ccc(CCN2CCOCC2)cc1)n1ccnc1 58217955 ZAPIEPGYRHZGPT-OAHLLOKOSA-N 328.416 1.958 0 40 EDAB NC(=O)[C@@H](NC(=O)CNC(=O)OCc1ccccc1)c1ccccc1 58290125 FPOLZPLRHRWHRZ-INIZCTEOSA-N 341.367 1.256 0 40 EDAB CCCc1nnc(S)n1CC(=O)NC[C@H](C)N1CCC[C@H](C)C1 58249227 ITZWOUYJPURXNM-STQMWFEESA-N 339.509 1.756 0 40 EDAB COc1ccc(CC[C@H](C)NC(=O)CCN2C(=O)CCC2=O)cc1 58265809 GHFFLBWQWBGWNI-ZDUSSCGKSA-N 332.400 1.672 0 40 EDAB C[C@@H]1CN(CCNC(=O)N(C)Cc2ccc3c(c2)OCO3)C[C@@H](C)O1 44967504 AHBIXIZNYCGQQR-ZIAGYGMSSA-N 349.431 1.666 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 44974329 JRQWNAPGFHQHCR-NWDGAFQWSA-N 333.436 1.293 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)NCc1ccc(-n2cccn2)cc1 44969821 SPTJAKVBIILGJA-HNNXBMFYSA-N 343.431 1.392 0 40 EDAB CC(C)Oc1ccc(CNC(=O)CCC(=O)N2CCOCC2)cn1 44953808 RJLJZBCZXBGCJZ-UHFFFAOYSA-N 335.404 1.124 0 40 EDAB O=C1N=C(O)C[C@H]1N(C(=O)c1cc2ccccc2oc1=O)C1CC1 58367121 LKXVQMOYFUTQML-GFCCVEGCSA-N 326.308 1.653 0 40 EDAB O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1F 58308044 SLUHOFOWGYCPSP-LLVKDONJSA-N 330.356 1.397 0 40 EDAB CC(=O)Nc1nc(C(=O)N(CCC(N)=O)Cc2ccccc2)cs1 58379354 BLSUUFDARUOSAO-UHFFFAOYSA-N 346.412 1.619 0 40 EDAB CCOC(=O)N1CCC(NS(=O)(=O)c2cc(F)cc(F)c2)CC1 10511197 OFTSQKMFFMSWBP-UHFFFAOYSA-N 348.371 1.864 0 40 EDAB CCNS(=O)(=O)c1ccc(NC[C@@H](c2ccco2)N(C)C)nc1 72275434 INNYQWRAYOXAIQ-ZDUSSCGKSA-N 338.433 1.688 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCCNC(=O)c1ccc(O)cc1 59013356 XGRSQAKLGDLRNR-LLVKDONJSA-N 344.415 1.392 0 40 EDAB O=C1CSc2ccc(C(=O)NCCc3nnc4n3CCC4)cc2N1 72270533 QCXAVKMXKARUDF-UHFFFAOYSA-N 343.412 1.241 0 40 EDAB O=C(COCCOc1ccccc1)NCCNC(=O)c1ccccc1 45880440 SMUJEIWIKKRZOQ-UHFFFAOYSA-N 342.395 1.628 0 40 EDAB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(F)c(F)c1 3354375 HRJXFGILSKZFMP-HNNXBMFYSA-N 348.305 1.860 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)N(C)Cc1ccsc1 46106904 SMMGLWHCOBVMNH-UHFFFAOYSA-N 342.442 1.926 0 40 EDAB Cc1nc2ncnn2c(N[C@H]2CS(=O)(=O)c3ccccc32)c1C 97115338 JACNZYYGOIWWJN-LBPRGKRZSA-N 329.385 1.682 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CCN(c2nccs2)CC1 9710227 ACMDJYALTHRHGP-UHFFFAOYSA-N 346.412 1.904 0 40 EDAB Cn1nccc1CNC(=O)N1CCO[C@H](CCc2ccccc2)C1 97109778 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EDAB Cc1n[nH]c2c1[C@@H](c1ccc(OCC(N)=O)cc1)SCC(=O)N2 35170852 MYVLLGXJRVJMTI-CQSZACIVSA-N 332.385 1.357 0 40 EDAB O=C(CN1CCC[C@@H](c2nccnc2-n2ccnc2)C1)N1CCCC1 72350550 JLURXSQXUFARSW-OAHLLOKOSA-N 340.431 1.464 0 40 EDAB CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cc(Cl)ccc2O)O1 180321131 OSCQYVCYONOHNG-MFKMUULPSA-N 326.780 1.411 0 40 EDAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccon1 35670765 IBGIUBVDTYDHQQ-UHFFFAOYSA-N 325.346 1.833 0 40 EDAB Cc1sc2nc(C(C)C)n3c(=O)n(CC(=O)N(C)C)nc3c2c1C 72335229 WSXXAABSGIFLHU-UHFFFAOYSA-N 347.444 1.934 0 40 EDAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(C)cs2)cc1 79224928 JTDSYKSEEPQOHN-UHFFFAOYSA-N 339.442 1.931 0 40 EDAB Cc1cnccc1CNC(=O)N1CCN(C(=O)c2ccccn2)CC1 188242929 SXHCQCJWXYAVNU-UHFFFAOYSA-N 339.399 1.453 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(N)CO)cc1 218570648 HJGLTZLPAOUQSF-ZACQAIPSSA-N 335.400 1.764 0 40 EDAB Cc1nc(CNC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)sc1C 189068471 NFYVWHRDQKUBCY-LLVKDONJSA-N 340.493 1.747 0 40 EDAB Cc1nnc2c(N3CCN(C(=O)c4ccsc4)CC3)nccn12 225799491 WLMHNIPTXBNFHW-UHFFFAOYSA-N 328.401 1.457 0 40 EDAB CNS(=O)(=O)c1cc(NC(=O)NCCc2ccccn2)ccc1C 43691927 MNIBOTDMDOKZCO-UHFFFAOYSA-N 348.428 1.662 0 40 EDAB Cc1c(S(=O)(=O)N[C@H](C(=O)O)c2ccc(Cl)cc2)cnn1C 570902064 YXQMCJOQHYKWRK-LBPRGKRZSA-N 343.792 1.486 0 40 EDAB CCn1cnnc1NC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 329134096 ZJXPVWYVBPDWGM-KBPBESRZSA-N 343.431 2.160 0 40 EDAB CSc1ncccc1C(=O)N[C@@H]1CCc2nn(C)c(=O)cc2C1 225787807 GUGGUFJYXUWKKR-LLVKDONJSA-N 330.413 1.185 0 40 EDAB Cc1cc(CNC(=O)c2ccccc2C)nc(N2CCOCC2)n1 224224310 BOYKZNDVUXEBPJ-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB CCCc1nnc(NC(=O)N2CCN(Cc3ccon3)CC2)s1 96433812 PJADXHNTPXYIDP-UHFFFAOYSA-N 336.421 1.828 0 40 EDAB O=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)[C@@H]3CCOC3)CC2)N1 96199969 OOTMDPFBEVSZTK-CABCVRRESA-N 329.400 1.083 0 40 EDAB CC(C)OCCCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95473534 XJKYBYSXWYEGAD-CYBMUJFWSA-N 344.415 1.847 0 40 EDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)CSc1nnc(N)n1C 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40 EDAB CCOC(=O)[C@]1(CC)N[C@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230326 PEVPQDRTQGOZAM-UYAYXHRUSA-N 348.374 1.413 0 40 EDAB Cc1ccccc1/C=C\C(=O)NCCn1nnc2ccccc2c1=O 245039085 OELRLUZWFMEDJE-UHFFFAOYSA-N 334.379 1.930 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2ccnn21 247956437 OJQRGXOBCHLWGM-HNNXBMFYSA-N 349.394 1.765 0 40 EDAB Cc1cc(O)nc([C@@H](C)N2CCO[C@@H](Cn3nc(C)cc3C)C2)n1 248722389 HATGCDRRUXJJJX-HUUCEWRRSA-N 331.420 1.766 0 40 EDAB COCCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1C 257262156 LKJBKOOCPMVUGH-AEFFLSMTSA-N 348.443 1.684 0 40 EDAB CC(=O)NC1CCN(C(=O)c2ccc(-c3cncnc3)nc2)CC1 257270514 MUOVPZOHKVJUCN-UHFFFAOYSA-N 325.372 1.279 0 40 EDAB CCn1nccc1-c1cncc([C@@H]2CCCN(C(=O)COC)C2)n1 257210416 BUMVEWLGSQWTKX-CYBMUJFWSA-N 329.404 1.712 0 40 EDAB O=C(NCCNc1ncccn1)[C@H]1CC(=O)N(c2ccccc2)C1 47105093 PRVYDSQGHCTBRJ-ZDUSSCGKSA-N 325.372 1.058 0 40 EDAB CN(c1ccc(F)cc1)[C@H]1COC2(CCN(S(C)(=O)=O)CC2)C1 257226771 FMBBDWJIYFIAAW-OAHLLOKOSA-N 342.436 1.845 0 40 EDAB O=C(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1cc2ccccc2nc1O 257245606 IQHDZDTUKKJTPG-BRWVUGGUSA-N 341.411 1.658 0 40 EDAB CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H](Cc3cccnc3)C2)C1=O 257199928 ABHSKNRTMMGOAP-AWEZNQCLSA-N 344.415 1.193 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)N2CCCC2)[C@H](c2ccccc2)C1 257303793 SITCMYURGBWPTB-INIZCTEOSA-N 337.445 1.232 0 40 EDAB CC(=O)N1CC[C@H]2[C@H](C1)C[C@](C)(CO)N2C(=O)c1cccnc1C 257250213 JLOCTSGUPIYOOA-QILLFSRXSA-N 331.416 1.224 0 40 EDAB Oc1cc([C@H]2CCCCN2CC2(O)CCOCC2)nc2ccnn12 257232100 GJKSTCPHNJXIEP-CQSZACIVSA-N 332.404 1.503 0 40 EDAB CCCS(=O)(=O)N1CCC2(CC1)C[C@H](O)C(C)(C)N(C(C)=O)C2 257262418 LLHYXJFREQEUDU-AWEZNQCLSA-N 346.493 1.200 0 40 EDAB NC(=O)c1cnn2c([C@@H]3CCCN(C4CCOCC4)C3)ccnc12 257302293 SCJGYFSCSAUPIC-GFCCVEGCSA-N 329.404 1.187 0 40 EDAB CO[C@H](C)CS(=O)(=O)N1CC[C@@H](C(F)(F)F)n2nccc21 1615588172 PCVURDROMOALML-BDAKNGLRSA-N 327.328 1.561 0 40 EDAB Cn1nnc2cc(C(=O)N3C[C@H](Cc4ccccc4)[C@@H](O)C3)ccc21 1615616710 HFHTXUSXXAPIBR-YJBOKZPZSA-N 336.395 1.644 0 40 EDAB Cc1ccc(/C=C/S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1 96098243 PTHUAEZUVYQRFQ-FMIVXFBMSA-N 343.470 1.805 0 40 EDAB Cc1cccc(CS(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)c1 96122028 ONXGNDLVHMWQEB-UHFFFAOYSA-N 345.486 1.580 0 40 EDAB Cn1ccc(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)n1 390834471 ZJVOIZOXWUMAMM-SFHVURJKSA-N 341.459 1.926 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C[C@H](OCc3ccncc3)CCO2)C1 575403630 IETAAWJAZVQARE-HZPDHXFCSA-N 332.400 1.395 0 40 EDAB C[C@H](CO)NC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 575442942 CCFNEKPXQMUZBX-WLYUNCDWSA-N 343.427 1.700 0 40 EDAB Cc1ccc(OCC(=O)N2CC3(C[C@@H](CO)CN3CC3CC3)C2)cc1 585093921 PNJQXLHIRCZEOZ-QGZVFWFLSA-N 344.455 1.679 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)c1c(F)cccc1Cl 585277275 HHZXIMBTDKIZAS-OAHLLOKOSA-N 328.771 1.976 0 40 EDAB Cc1ncc(C(=O)N2CC[C@](O)(COc3cccc(F)c3)C2)c(O)n1 585277926 XRMOKOOVFHAYDA-QGZVFWFLSA-N 347.346 1.286 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](C)N(C)C)c(Br)c1 26856589 QVECSOOREZCHNC-JTQLQIEISA-N 335.267 1.986 0 40 EDAB CC1CCN(C[C@@H](O)CN2CCN(Cc3nccn3C)[C@H](C)C2)CC1 69538500 KWJXVTQENTYXLI-QZTJIDSGSA-N 349.523 1.019 0 40 EDAB O=S(=O)(CCCN1CCC[C@H]1Cn1cncn1)c1ccccc1 69700135 UANJSVOROITPBX-HNNXBMFYSA-N 334.445 1.607 0 40 EDAB Cn1cnc([C@H]2CN(C(=O)C3(c4cccnc4)CCCC3)C[C@@H]2N)c1 1549737400 NJOXRBDUBZPBFZ-HOTGVXAUSA-N 339.443 1.580 0 40 EDAB CCCN1CCCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 71850312 MYUNFFNTDFEEJZ-UHFFFAOYSA-N 343.431 1.126 0 40 EDAB CN(CCOc1ccccc1Cl)S(=O)(=O)N1CCOCC1 44896220 UOIJCXNBVRNSPL-UHFFFAOYSA-N 334.825 1.228 0 40 EDAB C[C@H](C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)S(C)(=O)=O 45059995 ICCCNFXAQXFRNR-LLVKDONJSA-N 339.413 1.247 0 40 EDAB CCN(CC)C(=O)CCNC(=O)[C@H]1CCCN(c2ccccn2)C1 55775527 KMAAKHPTKBGBPK-HNNXBMFYSA-N 332.448 1.673 0 40 EDAB c1cc2c(cc1CN1CCN(Cc3noc(C4CC4)n3)CC1)OCO2 53602448 GVZRUJICTHUTQL-UHFFFAOYSA-N 342.399 1.994 0 40 EDAB COc1ccccc1-c1cc(NC(=O)CN(C)c2cnccn2)[nH]n1 58225571 UMLREAQWOUZAGT-UHFFFAOYSA-N 338.371 1.950 0 40 EDAB Cc1ccc(OCCN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)cc1 84157204 IDQRBVANDJXNGT-SFHVURJKSA-N 331.416 1.779 0 40 EDAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1nncn1C1CC1 106413216 QYFVYSVEBRALAO-CYBMUJFWSA-N 343.412 1.732 0 40 EDAB COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3nc[nH]c32)c(OC)c1OC 5634309 NVAMUYXVNLMYHW-ZYHUDNBSSA-N 333.344 1.124 0 40 EDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1cccnc1 5937407 HXBQJNLZGVZKSK-UHFFFAOYSA-N 330.369 1.149 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCCC[C@@H]3C)n2)o1 12182656 NBNFUJIUYTYVAH-NSHDSACASA-N 330.388 1.795 0 40 EDAB CC[C@@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1 12233656 MWBOTACODMMJAX-GFCCVEGCSA-N 327.388 1.627 0 40 EDAB CCCc1c(C)nc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O 17067702 RIMVIRBAFJBPEP-UHFFFAOYSA-N 330.388 1.586 0 40 EDAB CC(=O)NCC[C@@H]1CCCCN1Cc1ccnc(N2CCCC2)n1 19748914 DSWQSYPBQANRDS-KRWDZBQOSA-N 331.464 1.958 0 40 EDAB CNC(=O)[C@H]1CN(Cc2ccc(Cl)c(F)c2)CCN(C(C)=O)C1 607853276 GZDLPKYEZXBQDL-ZDUSSCGKSA-N 341.814 1.505 0 40 EDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1ccc2oc(C)cc2c1 643586195 GGJQHJSLJRKBFE-INMHGKMJSA-N 333.384 1.572 0 40 EDAB CCOC(=O)NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N 2637846 ZZSLINOOZXUZJS-UHFFFAOYSA-N 335.389 1.332 0 40 EDAB CS(=O)(=O)N1CC[C@H](COc2ccc(-c3ccccc3)nn2)C1 1888878954 NDYMBPGHDDUITK-ZDUSSCGKSA-N 333.413 1.804 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)NCCc2cccnc2)C1=O 23875171 DRSHVBJPZRXNRG-CQSZACIVSA-N 339.395 1.945 0 40 EDAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)c1ccc(O)nc1 238958506 YFCYRIZVCAITKI-UHFFFAOYSA-N 327.300 1.633 0 40 EDAB CC(C)N(C)Cc1cc(=O)n2c(n1)CN(C(=O)C1(F)CCC1)CC2 1565555332 XCGKHBWETZJAFH-UHFFFAOYSA-N 336.411 1.318 0 40 EDAB Cn1cc(N2C[C@@]3(CCCN(Cc4cccnc4)C3)C2=O)ccc1=O 1565543383 JGGPKJQQKHJIJX-IBGZPJMESA-N 338.411 1.409 0 40 EDAB O=C(OCn1nnc2ccccc2c1=O)c1cc2ccccc2oc1=O 428877 PTYCQGPBNGGMOW-UHFFFAOYSA-N 349.302 1.712 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 5153555 AMNDWJWSRFSJCE-GFCCVEGCSA-N 334.441 1.943 0 40 EDAB COc1ccc([C@@H]2c3c(C)n[nH]c3C(=O)N2CC(OC)OC)cc1 15921227 BFLAQFVZTUGFQX-MRXNPFEDSA-N 331.372 1.891 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)Cc2cccc(F)c2)C1 2055772403 GGJUJDYCULLTSL-GOSISDBHSA-N 344.390 1.329 0 40 EDAB CN([C@@H]1CCCN(c2ncnc3c2ccn3C)C1)S(=O)(=O)C1CC1 2086887008 OXSCAPGSMRLUJB-GFCCVEGCSA-N 349.460 1.361 0 40 EDAB Cc1cc(OC2CN(S(=O)(=O)c3c(C)noc3C)C2)cc(=O)o1 206961459 NPYHEEFBDWAOAA-UHFFFAOYSA-N 340.357 1.005 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@](C)(O)c1ccco1 75156275 LGZICSZAAAUSOP-KRWDZBQOSA-N 332.356 1.559 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccccc2O)CC1 40497039 FGOPHEQKSCJXJB-OAHLLOKOSA-N 345.443 1.551 0 40 EDAB CCc1nnsc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 40535987 LKNIYVZIFHEODH-LLVKDONJSA-N 347.444 1.651 0 40 EDAB Cc1nc(C(=O)NC[C@@H](C2CC2)N(C)C)nn1-c1ccc(F)cc1 40555215 MURDDLNYEUJFAJ-HNNXBMFYSA-N 331.395 1.785 0 40 EDAB CCOC(=O)CCC(=O)OCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102173553 VODHMAGXODGYJX-ZOBORPQBSA-N 325.405 1.814 0 40 EDAB Cc1cccc(Cn2cc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)cn2)c1 102603235 GPJXSXZTXRZBOT-QBPKDAKJSA-N 337.379 1.907 0 40 EDAB O=C(c1cccc(Cn2ccnc2)c1)N1CCN(c2ncccn2)CC1 32933149 PHRRHFHKAVHFDE-UHFFFAOYSA-N 348.410 1.684 0 40 EDAB CC(C)[C@H](NC(N)=O)C(=O)N1CCN(c2ccccc2Cl)CC1 33002026 UIGMJTFJEAMLIQ-AWEZNQCLSA-N 338.839 1.682 0 40 EDAB COC(=O)CNC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C 41780386 ZBDLEZMBNWCCHV-ZDUSSCGKSA-N 328.315 1.008 0 40 EDAB C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCN(Cc2cccnc2)CC1 70883405 ZKQFZODCBMOHNX-NVXWUHKLSA-N 333.432 1.310 0 40 EDAB Cn1nc(C(F)(F)F)c(Br)c1C(=O)N1CCOCC1 2770798 YBJIIHBNXYRFKH-UHFFFAOYSA-N 342.115 1.674 0 40 EDAB CN(C)c1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cn1 22327138 QEYPKEVVZYXHFG-UHFFFAOYSA-N 348.428 1.366 0 40 EDAB Cn1ccnc1CNC(=O)NCC1(CN2CCOCC2)CCCCC1 79052187 CDZBIYQFOLGPCX-UHFFFAOYSA-N 349.479 1.502 0 40 EDAB COc1ccc(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cn1 79061901 NFXBGRDOUSDTDL-UHFFFAOYSA-N 325.324 1.581 0 40 EDAB C[C@@H]1NC(C(=O)N(C)Cc2ccco2)=NN(c2ccccc2)C1=O 42017525 UBKKDMSADFCTES-LBPRGKRZSA-N 326.356 1.576 0 40 EDAB CCOc1ccc(C(=O)[C@H](C)n2cnc3c(=O)[nH]c(=O)n(C)c32)cc1 2684515 RKYJMOLXJYPWJS-JTQLQIEISA-N 342.355 1.266 0 40 EDAB CC(=O)Nc1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)O)cc1 6857046 GHXIZIYDEAHWMV-HNNXBMFYSA-N 345.355 1.810 0 40 EDAB COc1cc(C(=O)OCC(=O)NC(=O)NCc2ccco2)ccc1C 7146402 AIOCLCUIOZWBDK-UHFFFAOYSA-N 346.339 1.779 0 40 EDAB Cc1sc(NC(=O)c2ccccc2)c(C(=O)NC[C@H](O)CO)c1C 3141989 UGZGLEZTNODHHY-ZDUSSCGKSA-N 348.424 1.700 0 40 EDAB c1cncc(-c2nc3c(c(N4CCc5n[nH]cc5C4)n2)CCNCC3)c1 72432350 GUVCOSKJFVQVBS-UHFFFAOYSA-N 347.426 1.513 0 40 EDAB COCCN1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 54429471 GTGYUFGCBHLFBE-LJQANCHMSA-N 345.487 1.834 0 40 EDAB Cn1cc(CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cn1 42745280 BAVLJDNFVGWGKR-UHFFFAOYSA-N 337.401 1.102 0 40 EDAB CS(=O)(=O)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1 8939515 NYCXCNOJABGPKN-UHFFFAOYSA-N 338.458 1.262 0 40 EDAB C[C@@H]1Sc2ccc(C(=O)NCc3nnc4n3CCC4)cc2NC1=O 54888550 ORSPYTHQRYFRFD-VIFPVBQESA-N 343.412 1.587 0 40 EDAB O=C([C@@H]1CCOC1)N1CC[C@@H]2O[C@H](COCc3cccnc3)CC[C@@H]21 107205139 LRXGCCKLVCFUTA-OWSLCNJRSA-N 346.427 1.783 0 40 EDAB O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccco1 24442877 BFKJGWFPZLTKJV-UHFFFAOYSA-N 328.777 1.641 0 40 EDAB CCC(C)(C)n1nnnc1[C@@H](c1ccccn1)N1CCC(O)CC1 57710651 KRXRUPGXULCHPI-OAHLLOKOSA-N 330.436 1.759 0 40 EDAB Cc1ccc(-n2nnc(C(=O)N[C@H](C(N)=O)c3ccccc3)c2C)cc1 55099380 FNNHQIKPSFQGBM-KRWDZBQOSA-N 349.394 1.841 0 40 EDAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C 106156905 MCEWYIPNUDIQHG-VWYCJHECSA-N 326.343 1.845 0 40 EDAB C[C@@H](c1ccccc1F)n1cc(C(=O)NCCN2CCOCC2)nn1 20027268 IYEOJMVQILSHJZ-ZDUSSCGKSA-N 347.394 1.089 0 40 EDAB Cc1cc(OCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)no1 24990644 BMVUHQAJRLHLHJ-AWEZNQCLSA-N 329.356 1.992 0 40 EDAB CN(CC(=O)Nc1cccc2cn[nH]c12)S(=O)(=O)c1ccccc1 25090342 AWDWQTMSXFMZPR-UHFFFAOYSA-N 344.396 1.822 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CCCN1CC[S@@](=O)c1ccccc1 106772055 CLCGYSLNVCJUJP-NPMABZOXSA-N 348.390 1.937 0 40 EDAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420073 ZJHQRZLSQPLXSE-LKQDWFRTSA-N 334.347 1.023 0 40 EDAB COc1cc(NC(=O)c2cc(C)no2)c(C(=O)N(C)C)cc1OC 25218681 ISUOIIQYHUWYHX-UHFFFAOYSA-N 333.344 1.954 0 40 EDAB CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 95381617 LTMPBUSVECMXSS-LBPRGKRZSA-N 339.421 1.471 0 40 EDAB Cn1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](Nc3ccccn3)C2)cn1 107713469 SXMMNVSLQPYFGC-JZXOWHBKSA-N 327.432 1.907 0 40 EDAB COc1cc(C(=O)O[C@@H]2C[C@@H](C)OC2=O)c(N)cc1OC(F)F 95350351 FEDZBHWDRJSIJK-KSBSHMNSSA-N 331.271 1.740 0 40 EDAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc[nH]c3=O)CC2)n1 12669041 IDBVQFGSHZHLKE-UHFFFAOYSA-N 340.383 1.569 0 40 EDAB COc1ccnc(C(=O)NCC(C)(C)N2CCC(N(C)C)CC2)c1 95397820 NTSAQACBNAKIPF-UHFFFAOYSA-N 334.464 1.625 0 40 EDAB Cc1ccc(CN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C2CC2)o1 44968225 DFWPYPYYFFGRAK-LBPRGKRZSA-N 326.418 1.697 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(=O)N1CCCCC1 58378043 CEBQKQSWLJOABW-HIFRSBDPSA-N 335.448 1.152 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)NCCC(=O)Nc1ccccn1 58393246 PREPLYXGSVNIAN-KBPBESRZSA-N 335.404 1.501 0 40 EDAB CCOCCCNC(=O)[C@@H]1CCC[C@@H](C(=O)NCCCOCC)C1 58377548 FYCZQIURXWVHRU-HZPDHXFCSA-N 342.480 1.878 0 40 EDAB CCOCc1cc(CN2CCn3c(CO)nnc3C2)ccc1OC 57822756 VZKBOLSUQRVNRP-UHFFFAOYSA-N 332.404 1.331 0 40 EDAB COc1ccc(C(N)=O)c(OCC(=O)N(C)Cc2ccsc2)c1 48231118 HZYGKOFFPREEBS-UHFFFAOYSA-N 334.397 1.893 0 40 EDAB CCOc1ncccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 12791162 JKVROFQTQJXNAS-UHFFFAOYSA-N 325.324 1.958 0 40 EDAB O=C(OCc1nc(-c2cccnc2)no1)c1ccccc1NCCO 58505877 KOWRZZJGMOOQGR-UHFFFAOYSA-N 340.339 1.893 0 40 EDAB O=S(=O)(Cc1c(F)cccc1Cl)Cc1nnnn1C1CC1 45340649 PGFSPXINUWGVTF-UHFFFAOYSA-N 330.772 1.916 0 40 EDAB CC(=O)N1CCN(CCNC(=O)c2ccc3ncsc3c2)CC1 45852580 ABWJAGRMMXTMAD-UHFFFAOYSA-N 332.429 1.190 0 40 EDAB CN(C)C(=O)N1CCN(c2nn3cc(C(C)(C)C)nc3s2)CC1 29588873 CYYJDULVFKTNSJ-UHFFFAOYSA-N 336.465 1.892 0 40 EDAB CN(C)CC(C)(C)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 3332270 CYWZMQMHIWAUMP-GUYCJALGSA-N 344.521 1.889 0 40 EDAB C[C@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1cccc(F)c1 48311131 YWKGUKNATRHWMY-FZMZJTMJSA-N 343.424 1.610 0 40 EDAB CC1(C)NC(=O)N(CCCN2CCN(c3ccccc3F)CC2)C1=O 48355485 IJOWDINDVWSGSU-UHFFFAOYSA-N 348.422 1.668 0 40 EDAB COc1ccc(CNC(=O)COCC(=O)N2CCCCCC2)cc1 13942266 RFZXIGCWAUIMBX-UHFFFAOYSA-N 334.416 1.731 0 40 EDAB CN(CCNC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C1CC1 65401493 OVGJVUGUEKTDNG-NSHDSACASA-N 337.370 1.528 0 40 EDAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCO[C@H](C)C2)cc1 9337160 FLOZTIZWOPWLEX-LLVKDONJSA-N 348.428 1.864 0 40 EDAB CCCC[C@H](NC(=O)CCNS(C)(=O)=O)c1ccc(OC)cc1 65554020 CHRRTYQNHMJSKP-HNNXBMFYSA-N 342.461 1.982 0 40 EDAB O=C(CO)Nc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 65540079 CJBHFHKUSRXQPU-UHFFFAOYSA-N 342.323 1.696 0 40 EDAB COc1ccc(CCN2CCN(C(=O)c3cn[nH]c3C)CC2)cc1 67308331 PJNLVMRVUOXTFA-UHFFFAOYSA-N 328.416 1.727 0 40 EDAB COC(=O)/C(=C1\CCCCN1)S(=O)(=O)c1ccc(F)cc1F 67340890 GJPFWVBSGYOYRC-QBFSEMIESA-N 331.340 1.897 0 40 EDAB COc1cccc2c1[C@H]1CO[C@@H]3[C@@H]4C[C@H](C(=O)O)[C@H]([C@H](C2)N13)N4C 22796504 VOUMVHRRAVBACH-XTPYWUFDSA-N 330.384 1.106 0 40 EDAB CN(Cc1cccc(C(N)=O)c1)c1cc(N2CCC[C@@H]2CO)ncn1 72276162 IAYNHDLETLIXJS-OAHLLOKOSA-N 341.415 1.173 0 40 EDAB O=C(CNc1ncnc2[nH]ncc12)N1CCN(c2ccccc2)CC1 68321854 QLRMVJLFMIQREY-UHFFFAOYSA-N 337.387 1.114 0 40 EDAB Cc1cc(NC(=O)CN2CCN(c3nc(C)cs3)[C@H](C)C2)on1 71863954 IVYPVQZJRDJTHL-GFCCVEGCSA-N 335.433 1.897 0 40 EDAB Cc1cccn2cc(CNC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)nc12 71893399 BNVRTPBFJPHGMZ-CXAGYDPISA-N 344.440 1.713 0 40 EDAB CCCCOC(=O)[C@H](C)OC(=O)CNC(=O)c1ccccc1OC 71922247 HTXTVXCMJTXTEA-LBPRGKRZSA-N 337.372 1.700 0 40 EDAB COc1ccnc(N2CCCN(C(=O)[C@@H](C)OCC3CC3)CC2)n1 69441103 RHGAXEBNOYXPQB-CYBMUJFWSA-N 334.420 1.339 0 40 EDAB Cc1ccc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)cn1 69486046 GHSYEIFGVXMZDE-UHFFFAOYSA-N 342.403 1.636 0 40 EDAB O=S(=O)(c1ccc(N2CCC(CO)CC2)nc1)N1CCCCC1 71954742 GWWKSBGNRJZMMS-UHFFFAOYSA-N 339.461 1.465 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)CS(=O)(=O)NC1CCC(C)CC1 69537744 JBWTVRGMUGFBKD-SHARSMKWSA-N 346.493 1.370 0 40 EDAB CCc1nnc2n1C[C@@H](CNCCS(=O)(=O)c1ccccc1)CC2 69652216 BJJPNCHMNBPRQL-CQSZACIVSA-N 348.472 1.466 0 40 EDAB O=C1NCCN1c1cccc(C(=O)N2CCC[C@@H]2Cn2cccn2)c1 69740279 ZCWABUSHAYFJKU-MRXNPFEDSA-N 339.399 1.718 0 40 EDAB CC(C)(C)CC(=O)NCC(=O)NCCC(=O)NCc1ccccc1 69742274 IBAVXYRKAORDJF-UHFFFAOYSA-N 333.432 1.362 0 40 EDAB Cc1cnn(C2CN([C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)C2)c1 69875278 ZJIHRCBRRPDLIK-ZDUSSCGKSA-N 339.399 1.422 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N1CC=C(c3ccccc3)CC1)C2 69877584 WYTVMXSYRYEHEP-UHFFFAOYSA-N 337.427 1.718 0 40 EDAB COc1ccc(CN(CCO)C(=O)Nc2nncs2)c(OC)c1 69843757 XARCWSGHLFDBKA-UHFFFAOYSA-N 338.389 1.582 0 40 EDAB CCO[C@@H](C)c1noc(CCC(=O)N[C@@H]2CCc3nc(C)cn3C2)n1 72298544 PQFOONBZMMICAK-QWHCGFSZSA-N 347.419 1.736 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)no1 72231840 VEXUKZAJTJYJMV-KGLIPLIRSA-N 332.404 1.343 0 40 EDAB C[C@H]1CN(CCNCc2cn(C)nc2-c2ccncc2)C[C@@H](C)O1 97159993 NDRLPDWPDINECC-GASCZTMLSA-N 329.448 1.681 0 40 EDAB Cn1cc(CCC(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)cn1 95965351 WKPYZOLJAGJWEJ-KRWDZBQOSA-N 341.411 1.853 0 40 EDAB CC[C@@H](NCc1ncccc1C(F)(F)F)C(=O)N1CCOCC1 95988386 UFIBVWYNTAAJLG-GFCCVEGCSA-N 331.338 1.827 0 40 EDAB C[C@@H](NS(=O)(=O)c1cnn(C)c1)[C@H](O)c1ccc(Cl)cc1 95972927 QSJQKOZEWSWEPL-RNCFNFMXSA-N 329.809 1.474 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(Cc2ccc([S@@](C)=O)cc2)CC1 95982380 PMWJHZIMGGRJQR-BSEYFRJRSA-N 349.500 1.209 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)cs1 75122885 AJVSAQZGLISSLI-UHFFFAOYSA-N 346.456 1.660 0 40 EDAB O=C(Cc1cccnc1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 89834977 VPZIWAKHRLCWAE-RBUKOAKNSA-N 337.423 1.736 0 40 EDAB O=C(CCCNC(=O)C1CC1)NCc1ccnc(N2CCCCC2)c1 89884792 HDSLQFORQMVRSR-UHFFFAOYSA-N 344.459 1.995 0 40 EDAB CCN(C(=O)CNc1ccccc1C(C)=O)[C@H]1CCS(=O)(=O)C1 75572114 AORJRJGBOHIGNC-ZDUSSCGKSA-N 338.429 1.337 0 40 EDAB CN(Cc1ccccc1)C(=O)N1CCN(CCn2cccn2)CC1 75572787 ADFZYTPJOGHEBO-UHFFFAOYSA-N 327.432 1.753 0 40 EDAB CCn1nc(Oc2nc(NC(C)(C)C)nc(N(C)C)n2)ccc1=O 27679611 LZQGLZGYZMDVAI-UHFFFAOYSA-N 333.396 1.517 0 40 EDAB c1cnc(NC[C@@H]2CN(C3CCOCC3)Cc3ccnn3C2)nc1 306127751 GGHUXYANSWWHJI-CQSZACIVSA-N 328.420 1.396 0 40 EDAB C[C@]1(CNC(=O)[C@H](O)C2CCOCC2)CCCN1Cc1ccccc1 548638772 UCHLATFZNHQXRY-UYAOXDASSA-N 346.471 1.945 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 24938629 FSZXGSRTUPLTFT-QGZVFWFLSA-N 347.321 1.953 0 40 EDAB COC(=O)c1cn([C@@H](CC(=O)O)c2ccccc2)cc2c(O)nnc1-2 524733590 XBFGQSZQNPXNLN-ZDUSSCGKSA-N 341.323 1.939 0 40 EDAB O=C1c2ccccc2C(=O)N1CCCc1noc([C@@H]2CCCNC2)n1 218378624 CDNMYUGSZAMKPW-GFCCVEGCSA-N 340.383 1.765 0 40 EDAB CNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 408586141 AJTSCEFVANWYKE-GFCCVEGCSA-N 340.445 1.811 0 40 EDAB Cn1nc(C(=O)NCc2cc(-c3ccccc3F)on2)ccc1=O 38754351 SPCOWYFPTSYIDF-UHFFFAOYSA-N 328.303 1.504 0 40 EDAB O=C(Cc1ccc(Cl)cc1)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cccnc1 77261777 VGDLKADQBAFTMV-JOCBIADPSA-N 346.814 1.672 0 40 EDAB biogenic,in-vitro NC[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 218158432 RVWGLINPBOCBGU-RRQGHBQHSA-N 331.393 1.930 0 40 EDAB Cn1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)c1 35648627 MRJWIUBJEKUUMN-ZKUGPGMGSA-N 340.382 1.154 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3ccc(C)nc3C)CC2)no1 78777995 YFDRJNFBSXGFTL-UHFFFAOYSA-N 329.404 1.602 0 40 EDAB COc1cccc(-c2nnsc2C(=O)N2CCC(C(N)=O)CC2)c1 225767225 LNPZJXLDAQKYJB-UHFFFAOYSA-N 346.412 1.551 0 40 EDAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCc3ccccn3)cc2)o1 44893131 HSGOYSAUCFORAX-UHFFFAOYSA-N 337.339 1.695 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)Nc2ccc(OC)nn2)C1 329052813 RTIYVCIADUOUKJ-LBPRGKRZSA-N 330.392 2.113 0 40 EDAB Cc1cc(O)nc([C@@H](C)N2CCN(C(=O)Cc3ccccc3)CC2)n1 192541191 RVSCPCCAMJMFPC-OAHLLOKOSA-N 340.427 1.939 0 40 EDAB O=C1C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)CN1C1CC1 75161542 CEMSAOIRHKOVKR-AWEZNQCLSA-N 330.409 1.881 0 40 EDAB C[C@@H]1CN(c2ccnc(C(=O)NCCn3cccn3)c2)C[C@@H](C)O1 194486466 KCHOCMMMMWWSTL-ZIAGYGMSSA-N 329.404 1.322 0 40 EDAB CCN(CC)C(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225794854 IFBVCEOMTMQJTD-LBPRGKRZSA-N 328.434 1.718 0 40 EDAB Cn1nc(C(=O)NCc2nc(C(F)(F)F)no2)c2ccccc21 1584673762 UWEMQJULSQZSAH-UHFFFAOYSA-N 325.250 1.905 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCc2ccco2)CC1 87021999 JORCLJAXDFISHZ-OAHLLOKOSA-N 348.447 1.160 0 40 EDAB CCO[C@H]1C[C@@](NC(=O)c2n[nH]c3ccccc23)(C(=O)O)C1(C)C 193025224 RGDHENLWKSZVGH-YVEFUNNKSA-N 331.372 1.951 0 40 EDAB Cc1noc(C)c1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96121864 QTSVKWSCIURYLX-UHFFFAOYSA-N 338.360 1.729 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCO)cc2)cc1 95116917 FLRXYCQOMYGZJN-UHFFFAOYSA-N 348.424 1.542 0 40 EDAB COCCN1C(=O)C2(CCN(C(=O)COC)CC2)c2ccccc21 96052521 SXCLUOPKXWTHKS-UHFFFAOYSA-N 332.400 1.186 0 40 EDAB Cc1ccnc(NC(=O)[C@@H]2CC(=O)N(c3cnn(C(C)C)c3)C2)n1 96101494 LZEPHBPIHUGPQU-GFCCVEGCSA-N 328.376 1.554 0 40 EDAB Cc1nc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)sc1C 97102976 FVGLCPIATSHKSI-UHFFFAOYSA-N 336.461 1.914 0 40 EDAB COc1cc(N2CCN(C(=O)NCc3nc(C)no3)CC2)ccc1F 331852073 HYURWFQPBHBQNF-UHFFFAOYSA-N 349.366 1.558 0 40 EDAB Cn1cncc1CN1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1 96226401 QMDUNMPJQZFJKW-SFHVURJKSA-N 345.422 1.826 0 40 EDAB COCC(=O)N1CCc2c(COCc3ccccn3)cncc2C1 96189444 GOIOCMXDUUCUGH-UHFFFAOYSA-N 327.384 1.725 0 40 EDAB CN(C)CCO[C@@H]1C[C@H]2CN(C(=O)Cc3cccc(F)c3)CCN2C1 96183178 PKVPTGDHSMOACR-ZWKOTPCHSA-N 349.450 1.232 0 40 EDAB CCn1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cn1 95440518 LLUPPUBLWRGCMC-GDBMZVCRSA-N 330.363 1.744 0 40 EDAB O=C(Cc1ccccn1)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 96206879 MPUQKPGIPTZGIY-MAUKXSAKSA-N 341.411 1.577 0 40 EDAB Cn1cccc1[C@H]1COCCN1C(=O)c1ccc(-n2ccnc2)nc1 97379366 PUDKVHASGYMSFN-MRXNPFEDSA-N 337.383 1.820 0 40 EDAB CN(Cc1cncnc1)Cc1cn2c(n1)CN(Cc1ccco1)CC2 96068075 GRSCCUWVJOYEIT-UHFFFAOYSA-N 338.415 1.914 0 40 EDAB O=C1CC[C@H](C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)N1 96412624 URWPPTIBIIPTPR-GDBMZVCRSA-N 336.819 1.891 0 40 EDAB CC(C)c1cc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)n(C)n1 583618877 WLGNFBQZYLLPBS-QGZVFWFLSA-N 346.435 1.450 0 40 EDAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(Cc3cccc(F)c3)C[C@H]12 96185460 NMPPQATYCXESIX-CWRNSKLLSA-N 342.436 1.212 0 40 EDAB CCCCNC(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CN2C 96237869 VDCXCQURGHEJIC-IBGZPJMESA-N 344.459 1.919 0 40 EDAB Cn1nccc1C(=O)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 248068771 WWORUPZIEYADDD-ZDUSSCGKSA-N 328.372 1.268 0 40 EDAB O=C(NCc1ccc(Oc2ccccc2)cn1)[C@H]1CCS(=O)(=O)C1 585126101 OLFLNOZUEHXGMQ-ZDUSSCGKSA-N 346.408 1.925 0 40 EDAB C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)cc2Cl)C1 585121826 BGTNRIMIRSDVTA-KOLCDFICSA-N 347.820 1.820 0 40 EDAB CC(C)C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1 257310881 UHAITAIBVYGOMD-BDXSIMOUSA-N 332.444 1.804 0 40 EDAB CCn1ncc2cc(C(=O)Nc3nnc4n3CCCC4)c(C)nc21 253427884 OLBKNQZKOUAPRX-UHFFFAOYSA-N 325.376 1.940 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H]2[C@H]1CCCCN2C 257327117 XAARYAJCUGJBLZ-HZPDHXFCSA-N 333.480 1.924 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)n1 257300142 RTBLKUOXEAAYAZ-OAHLLOKOSA-N 338.371 1.717 0 40 EDAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(-c2nnco2)c1 69491566 OSQZVSNMMSTOKP-NSHDSACASA-N 329.360 1.869 0 40 EDAB COCC(=O)N1CCC(c2cccc(N3C[C@H](C)OC3=O)n2)CC1 257209281 BPTHDHFEFXLPER-LBPRGKRZSA-N 333.388 1.779 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)C[C@@H](Cc1cnccn1)CO2 257339986 ZEAYUUVCBKVIFL-CQSZACIVSA-N 339.399 1.521 0 40 EDAB CN(C)Cc1ccnc([C@@H]2CCCN2S(=O)(=O)C2CCCC2)n1 257304086 SJZQRLISBOASRG-HNNXBMFYSA-N 338.477 1.948 0 40 EDAB CCc1nccn1CCC(=O)N1CCC[C@H](c2ccnc(O)n2)C1 257207209 BGUNWBBTSVMVTB-ZDUSSCGKSA-N 329.404 1.737 0 40 EDAB COCC(=O)N1CCOC[C@H](Cc2ccc3c(ccn3C(C)=O)c2)C1 257277416 NXWISTOPQBFLAA-MRXNPFEDSA-N 344.411 1.965 0 40 EDAB COc1cc(CCC(=O)N[C@H]2CCCN(c3ccccn3)C2)on1 257326219 WWHYLLHVNOXTQI-ZDUSSCGKSA-N 330.388 1.796 0 40 EDAB CNc1cc(C)nc([C@H]2CN(C(=O)CCCn3cncn3)CCO2)c1 257330158 XNCZKQKRKOWDQT-MRXNPFEDSA-N 344.419 1.404 0 40 EDAB Cc1c[nH]c(-c2cc(CC3CCN(S(C)(=O)=O)CC3)ncn2)n1 257264254 LTPWKAARIIOBGU-UHFFFAOYSA-N 335.433 1.389 0 40 EDAB COC[C@H](NC(=O)N1CCC=C(Br)C1)[C@H]1CCCO1 252484255 FTCDMROTIXEIKM-NWDGAFQWSA-N 333.226 1.875 0 40 EDAB CN(C)C(=O)c1cnc(N2CCC(Cn3ccnn3)CC2)c(Cl)c1 269862974 JPQROLNDXZHQPN-UHFFFAOYSA-N 348.838 1.945 0 40 EDAB CC(=O)N1CCCC[C@H]2CN(C(=O)/C=C/c3ccnn3C)CC[C@H]21 585288976 CEAFHAHUBZAKRQ-WWJLMDQWSA-N 330.432 1.683 0 40 EDAB Cc1cccc(O[C@@H]2CCC[C@H](NCCN3CCNC3=O)[C@H]2O)c1 585288495 BYSFQZGUKOVCFK-GVDBMIGSSA-N 333.432 1.271 0 40 EDAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1ccn3ccccc13)C2 585141194 QTWUGUBSNMMFIM-CQSZACIVSA-N 338.411 1.724 0 40 EDAB Cn1cc(CN2Cc3cccn3C[C@H](CC(=O)NCC3CC3)C2)cn1 585099112 MSZICYWCUCPJHQ-MRXNPFEDSA-N 341.459 1.770 0 40 EDAB O=C(c1cncc(N2CCOCC2)c1)N1CCn2c1nc1ccccc12 677415050 YFHRGPOQXBSPKR-UHFFFAOYSA-N 349.394 1.928 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)N2CC[C@@H](c3cccs3)C2)C1=O 827945736 FXWHKWKONAKMGH-SNVBAGLBSA-N 343.430 1.355 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CCC(c3ccccc3C)CC2)CC1 69591053 JVVCOTRZJVXIRL-UHFFFAOYSA-N 343.471 1.865 0 40 EDAB Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCn2cccc2[C@H]1C 69349227 SPIUHUYBKTVCAH-SNVBAGLBSA-N 339.442 1.722 0 40 EDAB COc1ccc(C(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)c(OC)c1 71915387 MIMSYNBCNMHFAQ-SECBINFHSA-N 346.305 1.597 0 40 EDAB Cc1nnc2c(N3CCC[C@H](COc4ncccn4)C3)nccn12 1775996267 MWYMNVCKJCSATK-ZDUSSCGKSA-N 325.376 1.518 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccoc2)cc1F 57008917 GUBSIHLWOXUDDH-UHFFFAOYSA-N 326.349 1.435 0 40 EDAB CN(CCOc1ccccc1Cl)C(=O)CC[C@@H]1NC(=O)NC1=O 52987637 HALPYYIGJCYFBS-NSHDSACASA-N 339.779 1.165 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)ccc1=O 75602662 GOUCINBIVDNXCF-CQSZACIVSA-N 344.419 1.339 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1C[C@H](C(N)=O)c2ccccc21 84012104 WEHHLMYOHQRMGS-HNNXBMFYSA-N 326.400 1.585 0 40 EDAB C[C@H](C1CC1)N(C)S(=O)(=O)NCc1cccc(-c2nc[nH]n2)c1 79047972 RWVOUWDCXSUMPQ-LLVKDONJSA-N 335.433 1.536 0 40 EDAB CNC(=O)CN1CCC(N[C@H](c2nc[nH]n2)C2CCCCC2)CC1 582701797 JGTIJFGAAZOUAZ-INIZCTEOSA-N 334.468 1.226 0 40 EDAB CN1N=C(C(=O)NCc2cccnc2OC2CCCC2)CCC1=O 41426785 RDVXPVNFNYXHSF-UHFFFAOYSA-N 330.388 1.627 0 40 EDAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(CC)n2N)c1 5580989 ZXJKDZMAWZPWQS-UHFFFAOYSA-N 349.416 1.462 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccco1 5633449 GLNBTOYRNKIIKG-UHFFFAOYSA-N 336.369 1.553 0 40 EDAB CCOC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 12086052 LRVGWMCYHJOPCC-SGTLLEGYSA-N 346.383 1.469 0 40 EDAB COc1ccc2c(CN3CCn4c(CO)nnc4C3)cn(C)c2c1 12293055 FOHMJFVTKLBXBA-UHFFFAOYSA-N 327.388 1.287 0 40 EDAB O=C(N1CCCC1)[C@]1(Cc2cc([C@@H]3CCOC3)no2)CCCNC1 12366011 NGSVPKRRRKJYQU-KDOFPFPSSA-N 333.432 1.713 0 40 EDAB CC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1OC 16610229 FKERWHDNWNGTAL-ZDUSSCGKSA-N 342.461 1.929 0 40 EDAB Cc1ccnc(-n2cccc2CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)c1 19238221 FXUCZOMCLJQTCS-RYQLBKOJSA-N 326.444 1.820 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)Cn1nc2n(C)c3ccccc3n2c1=O 19496236 PCJDTYMSGMJBOA-QWHCGFSZSA-N 341.415 1.683 0 40 EDAB Cc1noc(CCC(=O)N2CCC[C@@]3(CC=CCN(C)C3=O)C2)n1 19742641 WWKZOAKHQSSMCO-KRWDZBQOSA-N 332.404 1.338 0 40 EDAB CN(C(=O)CSc1cccc[n+]1[O-])c1c2c(nn1C)CCCC2 153263 SEMFPDJBPNGRMG-UHFFFAOYSA-N 332.429 1.687 0 40 EDAB CN1CC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)CC1=O 528025273 INMIHKYZJAZROG-GOEBONIOSA-N 336.480 1.561 0 40 EDAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1ccc(F)cc1F 643551277 UYDOZBYBGNNGGN-KMUNFCNLSA-N 329.343 1.185 0 40 EDAB CCCNC(=O)C(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 17286090 XCMGHXFBFHHNHZ-MRXNPFEDSA-N 333.432 1.092 0 40 EDAB Cc1cccc(N2CCN(CC(=O)NC(=O)NC3CC3)CC2)c1C 36389716 BXADCSWWMIJHAC-UHFFFAOYSA-N 330.432 1.414 0 40 EDAB O=S(=O)(C1CC1)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888855942 ZDJGBIIQSOUYHE-IAQYHMDHSA-N 341.408 1.589 0 40 EDAB O=C1[C@H]2CN(c3nccn4nccc34)C[C@@H]2C(=O)N1c1ccccc1 1889186342 AOLLZJABLRAEND-KBPBESRZSA-N 333.351 1.355 0 40 EDAB COc1cccc(CNC(=O)COC(=O)Cc2csc(C)n2)c1 21238197 VGCOLEYCXYWSOY-UHFFFAOYSA-N 334.397 1.862 0 40 EDAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 23886430 CULYESAZEWYLMY-HOCLYGCPSA-N 338.473 1.938 0 40 EDAB CN1CCCC[C@@]2(CN(C(=O)CCc3ccccc3)CCO2)C1=O 2037985253 CXSMZQBWFSCLCE-LJQANCHMSA-N 330.428 1.859 0 40 EDAB CC[C@H](C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055713848 RNRDNDSGSUIZTK-GXTWGEPZSA-N 332.448 1.748 0 40 EDAB Cn1cc(S(=O)(=O)NCC2CCN(c3cccnc3)CC2)cn1 225656488 UXRIWIHUTNRCJE-UHFFFAOYSA-N 335.433 1.010 0 40 EDAB O=C(NC[C@@]1(OCCO)CCOC1)c1ccc(Cl)cc1Cl 617717590 KATZXQCYDNAVKO-AWEZNQCLSA-N 334.199 1.891 0 40 EDAB Cc1cc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)ncn1 2298045499 MAXRHHUDQXOBAP-UHFFFAOYSA-N 338.415 1.855 0 40 EDAB CCO[C@@H]1C[C@H](O)C12CCN(c1ccc(-n3ccc(C)n3)nn1)CC2 96421017 JNQAERIDWOMKEP-LSDHHAIUSA-N 343.431 1.727 0 40 EDAB COc1ccc(CNC(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1OC 50076271 XUXRLQYYAYKARF-ZDUSSCGKSA-N 349.431 1.904 0 40 EDAB O=C(O)CCC(=O)Nc1ccc(NC(=O)CCC(=O)O)c(Cl)c1 52549 XKTOVSXRYIANIB-UHFFFAOYSA-N 342.735 1.947 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CCCNC(=O)c1ccccc1 30847866 AWKAROGVABACRB-HNNXBMFYSA-N 334.416 1.901 0 40 EDAB Nc1ccc(S(=O)(=O)NCc2ccccc2Br)cn1 50673685 VGZZDMGORZJZEW-UHFFFAOYSA-N 342.218 1.905 0 40 EDAB in-vitro O=S(=O)(N1CCOCC1)N1CCN(c2ccccc2Cl)CC1 40488187 HVNPAWINRYKXHG-UHFFFAOYSA-N 345.852 1.039 0 40 EDAB O=C(NCCCN1CCCCCC1=O)c1n[nH]c(=O)c2ccccc12 40465522 OXXCTKNODBYREU-UHFFFAOYSA-N 342.399 1.446 0 40 EDAB O=C(CN1CCSC1=O)NCc1ccc(N2CCCCC2)nc1 40541104 QEDRLXZXRZYPQM-UHFFFAOYSA-N 334.445 1.857 0 40 EDAB COC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1 20529190 ZLIHHZWPVAZKAV-MRXNPFEDSA-N 345.399 1.572 0 40 EDAB COc1ccc(CCNC(=O)c2ccc(F)cc2-n2cnnn2)cc1 20720274 OZBBUZXZHXTLPF-UHFFFAOYSA-N 341.346 1.783 0 40 EDAB biogenic O=C(N[C@H](CO)Cc1ccccc1)c1cc(F)ccc1-n1cnnn1 20738698 XODXWWCJLIMXLP-AWEZNQCLSA-N 341.346 1.135 0 40 EDAB CC(C)[C@@H](C)NC(=O)C1CCN(CC(=O)NC2CCOCC2)CC1 102768413 JUCSRGDNLHLAAG-CQSZACIVSA-N 339.480 1.154 0 40 EDAB CC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102700432 WPBXZMFVXACLAM-GASCZTMLSA-N 326.352 1.779 0 40 EDAB Cc1oc(C(=O)NCc2cc[nH]n2)cc1S(=O)(=O)N1CCCC1 53049494 VONGZJTUMQIOFY-UHFFFAOYSA-N 338.389 1.026 0 40 EDAB O=c1/c(=C/c2ccccc2)sc2n1CN(c1cccc(F)c1)CN=2 522693 HGONZLLZTXUQHJ-SXGWCWSVSA-N 339.395 1.933 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cnn(C)c3)CC2)cc1 22241553 CKVIEEJCDXPQMI-UHFFFAOYSA-N 334.445 1.235 0 40 EDAB CCn1cnnc1CNC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 47020730 FJIZQNKPYCYIGC-OAHLLOKOSA-N 329.404 1.490 0 40 EDAB COc1ccc(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)cc1N1CCNC1=O 78896626 XAGURPWOALFKTE-SWLSCSKDSA-N 346.431 1.247 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)C[C@@H]1N(C)C 78894461 XZUYGCKENFPDCZ-JSGCOSHPSA-N 333.457 1.534 0 40 EDAB COC(=O)CNc1ncnc2c1nnn2Cc1ccccc1Cl 1349188 FJBOHXVQQXYCBL-UHFFFAOYSA-N 332.751 1.508 0 40 EDAB CCOC(=O)N[C@H](n1cc(C)c(=O)[nH]c1=O)C(Cl)(Cl)Cl 3066183 QGXVEQVSGIIEHE-SSDOTTSWSA-N 344.582 1.460 0 40 EDAB COc1ccc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 42132357 BVOYABVXIKCTDB-UHFFFAOYSA-N 347.440 1.597 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 53895128 RZLYXGHSBZAXMT-LLVKDONJSA-N 328.347 1.912 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 4884560 ZMQYZPMMYXYTHK-MMMWYMCRSA-N 344.411 1.582 0 40 EDAB COCCNC(=O)CSc1nnc(-c2ccncc2)n1CC(C)C 6327422 YTSWZPNUWLRVMB-UHFFFAOYSA-N 349.460 1.851 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)NCc2cccnc2)cs1 6681651 NTJSKPCICYNZKT-UHFFFAOYSA-N 325.415 1.371 0 40 EDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc2c(c1)COC2 84452020 MLOGEXBIXFSVHM-GOSISDBHSA-N 348.468 1.655 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1c1ncnc2c1cnn2-c1ccccc1 42740172 KXWPTEZMTABQTD-CHWSQXEVSA-N 336.399 1.906 0 40 EDAB COc1ccc(CNC(=O)c2cnc3sccn3c2=O)cc1OC 8276332 FISWEUKAQGNKAL-UHFFFAOYSA-N 345.380 1.703 0 40 EDAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NC1CC1 8735213 CVWDRELAQHSKBP-UHFFFAOYSA-N 328.459 1.744 0 40 EDAB COc1ccc(CCNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 24586243 LXCQWUOXCKCEHI-WMLDXEAASA-N 334.441 1.808 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)N2CCc3ccccc32)cc1 43229051 GFLKUYROKRGVNV-UHFFFAOYSA-N 331.397 1.606 0 40 EDAB C[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)[C@H]1C[C@H]2CC[C@H]1C2 106584130 KNRMQZIGLQWLPF-BHUBEEHDSA-N 333.432 1.696 0 40 EDAB Cc1nn(CC(=O)O)c(C)c1NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 55568659 CQDSHKFAEZXBAE-GFCCVEGCSA-N 336.392 1.028 0 40 EDAB C[C@H]1CN(C(=O)[C@H](C)N2CCC[C@H](Cn3cncn3)C2)C[C@@H](C)O1 106782677 QTVLEBWXYUMBDU-FZKCQIBNSA-N 335.452 1.014 0 40 EDAB CCc1ccc(N2C[C@H](C(=O)NCCn3ccnc3)CC2=O)cc1 43946077 YYOJQNLBNWUJHP-OAHLLOKOSA-N 326.400 1.615 0 40 EDAB Cc1cc(Cl)ccc1OCCCNC(=O)N1CC[C@H](C(N)=O)C1 56961476 SSHOMNAZPCVIRU-LBPRGKRZSA-N 339.823 1.934 0 40 EDAB CO[C@]12C[C@]3(CCC4=[N+](C)CCc5cc(O)c(c3c54)O1)CC[C@@H]2O 103551608 YAPXMAINSYHBRI-ZOCIIQOWSA-O 330.404 1.691 0 40 EDAB COC(=O)c1cc(CNC(=O)N[C@@H](C)CN2CCCC2=O)oc1C 57015647 DUXPNJYPIYSMKL-JTQLQIEISA-N 337.376 1.185 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCCNC1=O)c1cnn(Cc2ccccc2)c1 95440781 DXOXVOGCIBGKPN-XJKSGUPXSA-N 341.415 1.570 0 40 EDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1n[nH]c3ccccc13)CC2 95400623 ZQJSRQKGWQRVIH-GJZGRUSLSA-N 329.400 1.955 0 40 EDAB CN(Cc1ccsc1)C(=O)CCc1ccc(S(N)(=O)=O)cc1 48234830 HOJUCFSPQHYYJC-UHFFFAOYSA-N 338.454 1.987 0 40 EDAB O=C1c2ccccc2C(=O)N1CCCC(=O)N1[C@@H]2CC[C@@H]1COC2 101466979 ITNGBLUCSBUKND-CHWSQXEVSA-N 328.368 1.453 0 40 EDAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 44719612 PEYHXXIFRYQIEV-GHMZBOCLSA-N 331.821 1.658 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(=O)c2ccccc2o1 58185834 YSSPSSALEUBPFH-CQSZACIVSA-N 336.347 1.619 0 40 EDAB CC1CCN([C@@H](C)CNC(=O)Cc2ccc(-n3cnnn3)cc2)CC1 58168610 ASZGKLQGVWAERU-HNNXBMFYSA-N 342.447 1.441 0 40 EDAB CN(C)CCn1c(=O)oc2ccc(NC(=O)c3ccc(=O)[nH]c3)cc21 58193556 RRCWKOBICOINEA-UHFFFAOYSA-N 342.355 1.097 0 40 EDAB C[C@@H]1CN(C(=O)CCNC(=O)c2ccc(F)c(F)c2)C[C@@H](C)O1 58280936 QGULMUJWBRUHJN-GHMZBOCLSA-N 326.343 1.721 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)OCCO2 58245694 WSERAVUGNZYWKM-CQSZACIVSA-N 326.352 1.284 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1F 58308046 SLUHOFOWGYCPSP-NSHDSACASA-N 330.356 1.397 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)COc2ccc(F)cc2)CC1 58420244 MVUXSZOBOZYQNR-MRXNPFEDSA-N 349.406 1.145 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OC 3363722 FMAJURYAYDEFQB-OAHLLOKOSA-N 348.399 1.167 0 40 EDAB O=C1O[C@H](C(=O)NCCc2nnc3ccccn23)Cc2ccccc21 48314844 RYJIYSUFSDPYCM-AWEZNQCLSA-N 336.351 1.170 0 40 EDAB COC(=O)c1ccc(CN2C(=O)[C@@H](CCSC)NC2=S)cc1 61002193 OSNNUJCJZUUDPD-GFCCVEGCSA-N 338.454 1.812 0 40 EDAB C[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cccs1 12821627 PJSXIFWBYVZIBZ-SECBINFHSA-N 344.396 1.185 0 40 EDAB O=C(NCCCN1CCOCC1)c1cn(-c2ccc(Cl)cc2)nn1 28835392 NOPCZYCNVPVZHV-UHFFFAOYSA-N 349.822 1.373 0 40 EDAB CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[C@H]4CCCO4)C(=O)[C@H]13)O2 2404606 QSRQIVDNIIEXJH-ZURLZEQWSA-N 335.400 1.291 0 40 EDAB O=C(NCCCn1cncn1)N1CCO[C@H](c2ccc(F)cc2)C1 45647054 BJOKACGUNBHDJV-HNNXBMFYSA-N 333.367 1.590 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)Nn1cnc2ccccc21 12801099 ZPASEUQECMLKCP-UHFFFAOYSA-N 330.369 1.376 0 40 EDAB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NC(N)=O 21311742 YCALVUPWBTUQAP-JXMROGBWSA-N 326.268 1.957 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)NC[C@H]1Cc2ccccc2O1 46277861 UBXYBDBJYJMIIN-OAHLLOKOSA-N 349.390 1.907 0 40 EDAB Cc1nc2nc(S)nn2c(C)c1CCC(=O)N1C[C@@H](C)O[C@H](C)C1 12872397 UOYDOQPASIAXAH-NXEZZACHSA-N 349.460 1.598 0 40 EDAB CCCCn1c(N)c(N(CC)C(=O)c2ccccc2F)c(=O)[nH]c1=O 3528689 XXDXSABYYBRLJU-UHFFFAOYSA-N 348.378 1.725 0 40 EDAB Cc1n[nH]c(C(=O)N[C@H](C(N)=O)c2ccccc2)c1Br 48890383 XHGARIIZEGPVRF-JTQLQIEISA-N 337.177 1.437 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Oc1ccc(/C=C\C(=O)OC)cc1OC 96988724 TUFKGNFUMRZGIM-BJPMOSCESA-N 336.344 1.104 0 40 EDAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)[C@@H]1COCCO1 63830203 WCDSPGMVTKHEPH-AWEZNQCLSA-N 337.326 1.872 0 40 EDAB COc1cc(C(=O)O[C@@H](C)CN2CCOCC2)cc(OC)c1OC 19456377 UJWFQGRSIXAHQU-LBPRGKRZSA-N 339.388 1.590 0 40 EDAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)cc1 71288891 AHMMIBCHTGFCAE-RYUDHWBXSA-N 340.401 1.232 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3[nH]ccc3c2)cc1 9135106 PJVKLHFSNBUNAO-UHFFFAOYSA-N 343.408 1.788 0 40 EDAB CC(C)Nc1nnc(S[C@H](C)C(=O)NC(=O)NC2CC2)s1 14076165 UORMIBGAEBESEZ-SSDOTTSWSA-N 329.451 1.827 0 40 EDAB O=C1CN(Cc2nnc(-c3ccc(Br)cc3)o2)CCN1 14135284 AJNHKAGIQRGPPD-UHFFFAOYSA-N 337.177 1.431 0 40 EDAB CCOC(=O)C1CCN(C(=O)CCC(=O)NCCC(C)C)CC1 4696076 CMHNDOJOIDPSKW-UHFFFAOYSA-N 326.437 1.731 0 40 EDAB CCCNC(=O)NC(=O)CSc1nnnn1-c1cccc(C)c1 6607965 HSUUTLLDQOFQSF-UHFFFAOYSA-N 334.405 1.299 0 40 EDAB O=C(Nc1ccc(Br)cc1F)[C@H]1CCS(=O)(=O)C1 14670990 HBKSUNPUDXRWAZ-ZETCQYMHSA-N 336.182 1.961 0 40 EDAB NC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n1 66250544 KPRLYJNJGVLMSW-UHFFFAOYSA-N 349.796 1.764 0 40 EDAB O=C(CNc1ccc2nnc(C(F)(F)F)n2n1)NCc1ccco1 14713180 PGJRQDXVTSQCLC-UHFFFAOYSA-N 340.265 1.464 0 40 EDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(F)cc1Cl 9366670 QKMYJENITGFUGZ-RXMQYKEDSA-N 342.787 1.948 0 40 EDAB COCCn1nc(C(=O)NCCSc2ccccc2)ccc1=O 9315380 TWZMLZDUCGMTRY-UHFFFAOYSA-N 333.413 1.412 0 40 EDAB Cn1cc(CN2CC[C@@H](CN3CCOCC3)C2)c(-c2cccnc2)n1 93664341 KJKUZVQBCIXASW-INIZCTEOSA-N 341.459 1.636 0 40 EDAB COc1nc(N(C)C)nc(N2C(=N)N(c3ccccc3)C(=O)[C@H]2C)n1 26951564 SZINLFVCXKXTEA-SNVBAGLBSA-N 341.375 1.123 0 40 EDAB CC(C)NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 4999846 BIDMMSMTQVIFNK-UHFFFAOYSA-N 341.367 1.329 0 40 EDAB Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1sc(C)nc1C)C2 90168845 HUZBICLDZNCQKT-NSHDSACASA-N 326.447 1.558 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)c1cccc2cc[nH]c12 80177940 PZVHBBFLMIMWNN-UHFFFAOYSA-N 335.429 1.617 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1 15911490 JSOZGQXKYJJFDB-UHFFFAOYSA-N 333.373 1.041 0 40 EDAB CN1C[C@@H](C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)CC1=O 69557736 BCLGYKRDONIWNL-AWEZNQCLSA-N 349.394 1.515 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cc(-c2ccncc2)n[nH]1 69580816 FNQQYBLOMOTTKR-UHFFFAOYSA-N 346.354 1.629 0 40 EDAB C[C@H](NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)NC(C)(C)C 69588605 KVUIHJQSKQELKM-ZETCQYMHSA-N 348.325 1.818 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)Cc3nnsc3Cl)C2)no1 71870500 JMHJRMZCFDUATC-SNVBAGLBSA-N 342.856 1.979 0 40 EDAB Cc1ccccc1CNC(=O)CN(C)CC1CCN(C[C@H](C)O)CC1 71871581 YFHZNWYVNWLOIL-KRWDZBQOSA-N 347.503 1.636 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)CN2CCN(C[C@H](C)O)CC2)cc1C 69652299 RGBLYMWYAHMUKS-DLBZAZTESA-N 333.476 1.479 0 40 EDAB O=C(NCCc1nc2c(s1)CCCC2)[C@H]1CCS(=O)(=O)C1 69653192 HQCSDVNZKSIMMB-JTQLQIEISA-N 328.459 1.115 0 40 EDAB CCCCCS(=O)(=O)N1CCN(C(=O)Nc2cccnc2)CC1 69744394 CFKSQPKINFIHHL-UHFFFAOYSA-N 340.449 1.751 0 40 EDAB CC(=O)NC1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)CC1 69703679 AILYADRHFSWEFK-UHFFFAOYSA-N 332.400 1.846 0 40 EDAB CO[C@H](CNC[C@H]1CNc2c(C(N)=O)cnn2C1)c1ccccc1 69739566 SHJICEIHRHTEMD-SWLSCSKDSA-N 329.404 1.001 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)NS(=O)(=O)Cc2ccc(F)cc2)cn1 69701862 BVCWKWNNCUWGJR-KBPBESRZSA-N 337.376 1.309 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)Cn2ccc3ccccc32)CC1 69894544 OKJTUGGJSKZBSO-QGZVFWFLSA-N 345.443 1.183 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 69818772 JBWIBDVSIPGMJQ-CYBMUJFWSA-N 348.403 1.177 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 71870143 LDVMRBOIKMAJTQ-GDBMZVCRSA-N 330.432 1.502 0 40 EDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 8708263 DFBCDXILBCWRRB-KPZWWZAWSA-N 345.399 1.377 0 40 EDAB Cc1nc(C(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)cs1 71839627 RWFWGPJSOKMAOT-UHFFFAOYSA-N 335.433 1.916 0 40 EDAB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCN1CCNCC1 19939625 AGKAZOMGEIGWHF-UHFFFAOYSA-N 331.807 1.436 0 40 EDAB O=c1c(Br)c[nH]cc1NS(=O)(=O)c1cccs1 95985510 DMKCXUREBZNJSE-UHFFFAOYSA-N 335.204 2.000 0 40 EDAB O=C(N[C@H](CO)c1ccccc1)N[C@@H]1CCN(c2ncccc2F)C1 95995104 SONZYVYVGXJTQR-GDBMZVCRSA-N 344.390 1.832 0 40 EDAB COc1ccc(CC(=O)N(C)CCN2CCOCC2)c(Cl)c1 89346219 HJOYNLCTECBRTD-UHFFFAOYSA-N 326.824 1.682 0 40 EDAB O=C(Nc1cnn(CCN2CCOCC2)c1)[C@@H]1C[C@H]1c1ccccc1 89827927 HDPQVYLASRXOEC-ZWKOTPCHSA-N 340.427 1.958 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)CCn1nc(-c2cccs2)oc1=O 89937995 WYPPPKVWYDXFAV-NSHDSACASA-N 336.417 1.117 0 40 EDAB C[C@@H](NC(=O)[C@H]1CNC(=O)N1)c1ccc(OCC(F)(F)F)cc1 89904853 LPWZZXKGPVWRBH-LDYMZIIASA-N 331.294 1.486 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N1CCC[C@H](Cc2nccn2C)C1 89904441 SIQUAHAVDFHMLK-ZIAGYGMSSA-N 331.424 1.064 0 40 EDAB C[C@@](O)(CNS(=O)(=O)c1c[nH]c2ncccc12)c1ccsc1 89901338 XYCHDIUSLLCUHU-CQSZACIVSA-N 337.426 1.810 0 40 EDAB Cc1ncsc1CNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 76065940 AVCMPSPATKVSHU-NSHDSACASA-N 328.401 1.982 0 40 EDAB CN(CC(=O)Nc1sccc1C(=O)C(C)(C)C)S(C)(=O)=O 118626887 AYVVFYJPDYWBLF-UHFFFAOYSA-N 332.447 1.807 0 40 EDAB O=C1CCCN1C[C@@H]1CC[C@@]2(COCCN(C3CCOCC3)C2)O1 306132247 LCYGCDWWOWAORR-FUHWJXTLSA-N 338.448 1.038 0 40 EDAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 62119865 KZQOEFKQSVOJCK-MRVPVSSYSA-N 334.191 1.544 0 40 EDAB Cn1cccc1C(=O)NCCNC(=O)[C@H]1CCCc2ccccc21 24864094 CSJMNALQDOUZNI-INIZCTEOSA-N 325.412 1.991 0 40 EDAB C[C@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)N1CCc2ccccc21 25140356 NUGLFNXMHUQAKQ-UKRRQHHQSA-N 330.432 1.345 0 40 EDAB Cc1ccc(Cl)c(OCc2nnc(SCC(N)=O)n2N)c1 409369994 IYMAOSGLGNIGEQ-UHFFFAOYSA-N 327.797 1.110 0 40 EDAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)[C@H](C)n1cnnn1 524734767 KZZSHLZWHFXGIB-BONVTDFDSA-N 340.387 1.918 0 40 EDAB COc1cccc([C@H](CNC(=O)N2CCC(C(=O)O)CC2)OC)c1 529222188 DCWSAPNMGZPRPN-HNNXBMFYSA-N 336.388 1.889 0 40 EDAB CCCCCNc1ccc(S(=O)(=O)NCCO)cc1C(=O)O 217591541 FONIAJMBWZAQMN-UHFFFAOYSA-N 330.406 1.258 0 40 EDAB O=C(O)c1ccc(OCCNC(=O)c2cccc3c2OCCO3)cc1 537479957 ZQVORAVRENUIAM-UHFFFAOYSA-N 343.335 1.965 0 40 EDAB O=C(NCc1ccc(N2CCCC2)nc1)NC[C@@H]1CCN(C2CC2)C1 79182173 QDYWGSVNSMZYQK-INIZCTEOSA-N 343.475 1.965 0 40 EDAB C[C@@H](C1CC1)N(C)S(=O)(=O)NC[C@@H](c1ccccc1)N(C)C 79311918 SZCGKXXHMTYJPA-BBRMVZONSA-N 325.478 1.854 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)CCc1nc(-c2ccccn2)no1 25301854 DDGNAOVGTKFGKH-ZDUSSCGKSA-N 343.387 1.191 0 40 EDAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC 218414569 AWWJMCMDZGGYOW-MBNYWOFBSA-N 331.821 1.501 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCN(c2nccs2)CC1 32888357 HELMIDYPQAMWES-GFCCVEGCSA-N 339.465 1.135 0 40 EDAB C[C@H]1CN2CCC[C@@H]2CN1Cc1ccnc(N2CCSCC2)n1 72324588 YLYPAVACJISXTG-GOEBONIOSA-N 333.505 1.698 0 40 EDAB O=S(=O)(NCC[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 32906194 XRAZOUWVBREHAP-LBPRGKRZSA-N 327.402 1.695 0 40 EDAB COCCNc1ccc(C[C@@H]2CCCN(Cc3cnn(C)c3)C2)nn1 72387332 HSQGLELZJUBWND-HNNXBMFYSA-N 344.463 1.723 0 40 EDAB Cn1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)n1 32915919 IBANLUMKDIXMSR-UHFFFAOYSA-N 348.306 1.722 0 40 EDAB O=c1n(Cc2ccccn2)nc2n1-c1ccccc1C1=NCCCN12 72342161 JCRXDKGNFHLJSB-UHFFFAOYSA-N 332.367 1.448 0 40 EDAB C[C@H](O)CNC(=O)c1ncc(Br)cc1Br 183337576 DSSMCOLMZSTPNK-YFKPBYRVSA-N 337.999 1.717 0 40 EDAB CSc1cccc(NC(=O)[C@@H]2CC(O)=Nc3[nH]c(=O)[nH]c(=O)c32)c1 49547374 SVUHBFTUOIQAOA-SECBINFHSA-N 346.368 1.499 0 40 EDAB CCc1nn(C)cc1NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 528964396 ROYDQNHJFPCTDA-UHFFFAOYSA-N 342.399 1.707 0 40 EDAB CCCCNc1cc(N2CCN(c3cccnn3)CC2)nc(N)n1 225539737 MFWPBKIEPZDQAR-UHFFFAOYSA-N 328.424 1.387 0 40 EDAB Cc1cc(F)ccc1-n1ccc(NC(=O)N[C@@H](C)C(=O)N(C)C)n1 225403396 KXEYOSCNJBANRN-NSHDSACASA-N 333.367 1.918 0 40 EDAB Cc1nn(-c2ccccc2)cc1NC(=O)N[C@H]1CCc2ncnn2C1 190378762 BLIGUGJAXBOVIB-ZDUSSCGKSA-N 337.387 1.909 0 40 EDAB CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)c(OC)c1 224916410 XMCXQZUHAOTKIM-RAXLEYEMSA-N 330.340 1.814 0 40 EDAB O=C1CCCN1Cc1cn(C2CN(C(=O)Nc3ccccc3)C2)nn1 225633040 LHBJZRPNTFRJNA-UHFFFAOYSA-N 340.387 1.489 0 40 EDAB Cc1noc(CCc2nc(C(=O)NCc3ccc(F)cc3)no2)n1 85235682 RCZKDAZHDWSZOF-UHFFFAOYSA-N 331.307 1.615 0 40 EDAB CCN(C[C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1)CC(F)(F)F 81448012 HDTDTQWTJHNRPR-NSHDSACASA-N 331.338 1.721 0 40 EDAB C[C@H](CNC(=O)N1CCSC[C@@H]1c1cnn(C)c1)Cn1cccn1 191499448 WMXDTVOVJFSIJX-UKRRQHHQSA-N 348.476 1.752 0 40 EDAB O=C(N[C@@H]1CC[C@H](N2CCN3C(=O)CC[C@H]3C2)C1)c1cccc(F)n1 585087487 UZDLURPUEJJSNX-RDBSUJKOSA-N 346.406 1.178 0 40 EDAB CS(=O)(=O)NCCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 96404793 GXQKXLHGFJMBSO-CVEARBPZSA-N 332.425 1.609 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)NCc1cc(Br)no1 585087619 VPJIZQVUFCVQKC-SNVBAGLBSA-N 344.209 1.844 0 40 EDAB CCN1C[C@@]2(CC1=O)CN(C(C)=O)CCN(C(=O)c1ccccc1)C2 96262107 VCBLIRNVUIAPTQ-IBGZPJMESA-N 343.427 1.230 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(c3ncc(F)cn3)C[C@@H]2O1 96066309 YSNCEZDEOKHRRM-GLQYFDAESA-N 343.362 1.633 0 40 EDAB Cn1ccnc1CN1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 96239715 BMZLQFMSJLKHQS-INIZCTEOSA-N 348.401 1.948 0 40 EDAB CN(CC(=O)NCc1ccc(Br)cc1)[C@H]1CCC[C@@H]1O 96456890 GHHHDWRPTCPFFC-KBPBESRZSA-N 341.249 1.911 0 40 EDAB CCO[C@@H]1C[C@@H](O)C12CCN(c1ccc(-n3ccc(C)n3)nn1)CC2 96421019 JNQAERIDWOMKEP-HUUCEWRRSA-N 343.431 1.727 0 40 EDAB O=C(CCc1ccc2c(c1)CCO2)NCCc1nnc2ccccn12 95478340 DDTUYNKTXJVQSO-UHFFFAOYSA-N 336.395 1.956 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@@H]12)N1CCCO1 96057310 OWKKSSHXPGVQKU-INMHGKMJSA-N 331.416 1.330 0 40 EDAB O=C(c1cccs1)N1CCn2nnc(COc3ccccn3)c2C1 96084289 GLPNSKAZHNYBGY-UHFFFAOYSA-N 341.396 1.970 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)c1cn(C)nc1C(F)(F)F)CC2 97199141 QHWOFFDDQPPEAI-MRVPVSSYSA-N 342.325 1.338 0 40 EDAB CS(=O)(=O)[C@H]1CCC[C@@H](NCc2cc3c(cn2)OCCO3)C1 585118437 OUONRVJCWFXDAI-YPMHNXCESA-N 326.418 1.298 0 40 EDAB COc1ccccc1NC(=O)c1c(NCc2cnn(C)n2)n[nH]c1C 585138606 MUMRZKADFYKRQK-UHFFFAOYSA-N 341.375 1.720 0 40 EDAB CO[C@H](CS(=O)(=O)N[C@H](C)Cc1c(C)noc1C)C1CCC1 585115713 PRMJICFRASGTKV-MEBBXXQBSA-N 330.450 1.957 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]cc3F)C[C@@H]21 585136661 OQYJZDZPAQRIOD-JBLDHEPKSA-N 338.383 1.924 0 40 EDAB CC[C@@H]1CC[C@@H](C(=O)Nc2n[nH]cc2I)O1 585127483 BCDOODIIKPGYMM-SVRRBLITSA-N 335.145 1.910 0 40 EDAB O=C(COC1CCCC1)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 247741222 OLRYCBYKLYERQT-INIZCTEOSA-N 332.448 1.821 0 40 EDAB CN1c2ccccc2N(CCNC(=O)/C=C/c2ccco2)S1(=O)=O 245187604 ZQMLRQJTRFWNAD-UHFFFAOYSA-N 347.396 1.610 0 40 EDAB COC[C@H]1CN(C(C)=O)CC12CCN(c1cc(OC)ncn1)CC2 247908862 DAHRJUNRHKOTGQ-CQSZACIVSA-N 334.420 1.197 0 40 EDAB COC[C@H](NC(=O)N1CCC=C(Br)C1)[C@@H]1CCCO1 252484256 FTCDMROTIXEIKM-RYUDHWBXSA-N 333.226 1.875 0 40 EDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)Cc1ccccc1F 257202776 ANKGVRYEEFROCS-QGZVFWFLSA-N 328.347 1.161 0 40 EDAB O=C(N[C@H]1CCCNC1=O)c1ccc(Cc2cccc(F)c2)nc1 257268508 MLZQPPVYHXOXGJ-INIZCTEOSA-N 327.359 1.820 0 40 EDAB O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@@H](c2cnccn2)C1 257224474 FBZDAWNDWPFKGK-OAHLLOKOSA-N 336.355 1.271 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257217644 CZXMCTIXBCSFRM-INIZCTEOSA-N 329.404 1.549 0 40 EDAB COc1cccc(S(=O)(=O)N2CC[C@H](c3nccc(C)n3)C2)c1 257223701 DYOBOVWZMQMOSF-ZDUSSCGKSA-N 333.413 1.972 0 40 EDAB CCS(=O)(=O)CCN1Cc2cccn2C[C@H](Oc2cccnc2)C1 253493896 VSGRLXPERJZCBX-QGZVFWFLSA-N 349.456 1.581 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)cn1 257242892 IEPZTGJGBKOVCJ-LLVKDONJSA-N 334.239 1.787 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)C(C)(C)n2cncn2)CCN1C 257225179 FFEYEXKOIWFCRK-HNNXBMFYSA-N 343.431 1.537 0 40 EDAB Cc1cccc(C(=O)NCc2nccnc2C2CCN(C)CC2)n1 257300733 RVMLHDBMWZTBJH-UHFFFAOYSA-N 325.416 1.919 0 40 EDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2cnc(C)cn2)nc1 257322170 WEVLDQWLGWLZGD-QGZVFWFLSA-N 339.399 1.793 0 40 EDAB Cc1cnn(C[C@@H]2CN([C@@H](C)C(=O)Nc3cc(C)on3)CCO2)c1 69452196 BRTWOQGBZIEDDR-KBPBESRZSA-N 333.392 1.216 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H](O)[C@@H]2O)nc1 257227954 FRSVGQOJCZAJIJ-VDHUWJSZSA-N 342.395 1.452 0 40 EDAB Cc1ccc(C2=NO[C@@H](CNC(=O)N3CCC[C@H]3CO)C2)cc1C 252509196 YFQXJGHXAYSOIQ-JKSUJKDBSA-N 331.416 1.963 0 40 EDAB CC(=O)c1cccc(OCC(=O)N2CCN(c3cnccn3)CC2)c1 25833228 QKFNIGAFXZXLRI-UHFFFAOYSA-N 340.383 1.407 0 40 EDAB COCCNS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 264237135 YWLLHQMNVYLOFU-UHFFFAOYSA-N 329.422 1.389 0 40 EDAB Cn1c(O)nc2ccc(C(=O)NC[C@H](C(F)F)n3cccn3)cc21 1615548291 NLEVDTOCAOPECC-GFCCVEGCSA-N 335.314 1.712 0 40 EDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1cccc2c1OCCCO2 69492236 UWTRZYUPPWOOCK-BBRMVZONSA-N 349.383 1.859 0 40 EDAB CC[C@@H](C(=O)NCc1nc(OC)nc(N(C)C)n1)c1ccccc1 575603739 JMXPHBRUMXQHIK-CYBMUJFWSA-N 329.404 1.756 0 40 EDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(S(=O)(=O)C(C)C)C3)n1 575406091 VMCRQNUICHVSNA-ZDUSSCGKSA-N 341.433 1.135 0 40 EDAB CS(=O)(=O)N1CC(F)(F)C[C@@]2(CCN(c3cccnc3)C2=O)C1 585093076 YXRBYBFWKZBOGI-ZDUSSCGKSA-N 345.371 1.105 0 40 EDAB Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1 585097507 MNUHZKJQRHEJJU-AWEZNQCLSA-N 329.404 1.690 0 40 EDAB CC(C)S(=O)(=O)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585278115 ZSZHNOKQVZLCDK-OAHLLOKOSA-N 331.409 1.170 0 40 EDAB CC(C)(C)OC(=O)N[C@H](Cc1cc[nH]n1)C(=O)NCCc1ccco1 585141720 XGYIZMIECOQVSX-CQSZACIVSA-N 348.403 1.797 0 40 EDAB O=C1C[C@@H](C(=O)NC[C@@H]2CCCO2)[C@H](c2ccc3c(c2)OCCO3)O1 66088337 ZQTKUYRERVQWEM-AHIWAGSCSA-N 347.367 1.357 0 40 EDAB Cc1csc(=O)n1CCC(=O)NC[C@]1(O)CCCc2ccccc21 66930216 ANMBLQAQYOBJGU-GOSISDBHSA-N 346.452 1.949 0 40 EDAB COCCN1CCN(Cc2csc(-c3ncccn3)n2)C[C@@H]1C 69818910 LYSBCTCHCTXBPJ-ZDUSSCGKSA-N 333.461 1.753 0 40 EDAB CN(CC(=O)N1CCN(c2ccccn2)CC1)c1ccc(Cl)cn1 71822624 SOEUHYMBDGYPFE-UHFFFAOYSA-N 345.834 1.915 0 40 EDAB CC(=O)O[C@@H]1[C@@H](F)[C@@H](COC(=O)c2ccccc2)O[C@@H]1OC(C)=O 1771591579 JMEMYKBTQDHFEB-CTASWTNQSA-N 340.303 1.401 0 40 EDAB O=C(NCc1ccnc(-n2cccn2)c1)N(C[C@@H]1CCOC1)C1CC1 44968702 OGSVOIVWNOTCLQ-HNNXBMFYSA-N 341.415 1.978 0 40 EDAB COc1cccc(N2CCN(C(=O)N[C@H](C)Cn3cccn3)CC2)c1 46462714 IKIBGORKYZICTP-OAHLLOKOSA-N 343.431 1.812 0 40 EDAB CC(=O)NC(C)(C)c1noc(C2CCN(C(=O)N3CCCC3)CC2)n1 72547175 LGKDJRNEEWNVHZ-UHFFFAOYSA-N 349.435 1.836 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCCN(Cc2nccn2C)CC1 75584914 PRYAEUZKBJTHEC-UHFFFAOYSA-N 342.447 1.229 0 40 EDAB CCc1nsc(N2CCCN([C@@H](C)C(=O)NC(C)(C)C)CC2)n1 76090252 HKPOSIABWUSPLH-LBPRGKRZSA-N 339.509 1.916 0 40 EDAB COc1cccc(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)c1 84102033 IUIXMNDXYAUXKB-CYBMUJFWSA-N 349.412 1.812 0 40 EDAB Cc1nc([C@H]2CCCN2CC(=O)NC[C@@H]2Cc3ccccc3O2)no1 84280846 HKCQOUKFXAETJC-LSDHHAIUSA-N 342.399 1.635 0 40 EDAB CN1CCN([C@H](Cc2cccc(Br)c2)C(=O)O)CC1 84761950 DHXGXYYCGUPYAH-CYBMUJFWSA-N 327.222 1.692 0 40 EDAB CCN(CC)C(=O)CN1CCCN(c2noc(C(C)(C)C)n2)CC1 97115252 BNZVWEJCJDVKTQ-UHFFFAOYSA-N 337.468 1.748 0 40 EDAB CC(=O)N[C@@]12CCN(C)C[C@@H]1CN(C(=O)c1cc3ccccc3o1)C2 19713632 GJEQRUUGUYRETC-DNVCBOLYSA-N 341.411 1.715 0 40 EDAB CCOC(=O)CCC(CCC(=O)OCC)(C(C)=O)C(=O)OCC 4277199 KSKJPRIWCBZHFF-UHFFFAOYSA-N 330.377 1.812 0 40 EDAB COCC(=O)N1CC[C@H]2CC(=O)Nc3cccnc3OCC[C@H]2C1 1534646721 RAXNVUOUOOKJLI-STQMWFEESA-N 333.388 1.304 0 40 EDAB CCNC(=O)NC(=O)COC(=O)COc1ccc(Cl)cc1C 5703739 CPMGZSCNNXBKJU-UHFFFAOYSA-N 328.752 1.416 0 40 EDAB C[C@@H]1CCCN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)C1 13648418 YRFBCQYBYFTYMX-LLVKDONJSA-N 346.399 1.989 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(Cc3cc(C)no3)C2=O)cc1OC 14199905 CZRMKDCIKNABGP-QGZVFWFLSA-N 345.355 1.967 0 40 EDAB CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 15360618 GLGYTGWYRPCRQQ-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB Cc1cc2nc3c(c(=O)n2o1)CN(C(=O)c1ccc(F)cc1)CC3 15414104 BGESQQDFHSIKPS-UHFFFAOYSA-N 327.315 1.934 0 40 EDAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1cc(C)ccc1OC 17068236 DEOFUWWTNDVHMY-LLVKDONJSA-N 332.356 1.525 0 40 EDAB CC(=O)N1CCC[C@@H](c2cc3cccnc3n2CC(=O)N(C)C)C1 19017033 UAZWYSGBJPFHGA-OAHLLOKOSA-N 328.416 1.850 0 40 EDAB COc1ccc(C(=O)N2CC[C@H](C(=O)Nc3ccccn3)C2)cn1 19747626 AADWJCPEPUDFJK-ZDUSSCGKSA-N 326.356 1.586 0 40 EDAB COc1ccc(O[C@H]2CCN(S(=O)(=O)C3CCCCC3)C2)nn1 225442230 XFYKWJKEMXXFDN-LBPRGKRZSA-N 341.433 1.601 0 40 EDAB Cc1noc(C)c1CC(=O)N1CC[C@@H](Oc2ccc(N(C)C)nn2)C1 225446764 KEPIVNVPLLNXRM-CYBMUJFWSA-N 345.403 1.370 0 40 EDAB Cn1cc(-c2cc(CNC(=O)OCCN3CCOCC3)ccn2)cn1 575618344 LWBSVUYQELOFFH-UHFFFAOYSA-N 345.403 1.041 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 10418796 PWLQOQLULDLTCF-UHFFFAOYSA-N 340.489 1.743 0 40 EDAB NC(=O)[C@@]1(F)CCN(c2cc(C3CCOCC3)nc(C3CC3)n2)C1 1888844357 WLDJDQCPKAVADG-QGZVFWFLSA-N 334.395 1.652 0 40 EDAB Cn1nc(C(=O)Nc2ccc(Br)cc2F)ccc1=O 11780801 RJJDRMGOZVSHMZ-UHFFFAOYSA-N 326.125 1.934 0 40 EDAB C[C@@]1(C(=O)N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)CC=CCC1 1565553601 FXALPAXAVLSMTJ-MRXNPFEDSA-N 338.473 1.759 0 40 EDAB O=C(c1cc[nH]c1)N1CCC2(CC1)CCN(c1cncnc1)C2=O 1565545618 LTDDEGNEHMCXTC-UHFFFAOYSA-N 325.372 1.464 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCN([C@H]3CCOC3)CC2)s1 1565522734 YNSDRHNBLPZQTI-ZDUSSCGKSA-N 330.475 1.542 0 40 EDAB Cn1nc(-c2cccnc2)c2c1CCN(C(=O)c1csnn1)CC2 1565552411 SEIXDGQDQYBKJY-UHFFFAOYSA-N 340.412 1.575 0 40 EDAB CC(C)N(C)C[C@H]1CN(C(=O)[C@H]2[C@H]3COC[C@H]32)Cc2nccn2C1 1565542521 KWGDICJEPFTOKH-PNBKFKSVSA-N 332.448 1.074 0 40 EDAB O=C(C[C@@H]1CO[C@@H]2CN(C(=O)C3(F)CCC3)C[C@H]12)N1CCCCO1 1565546961 HYMUZMGZGRSMHU-MGPQQGTHSA-N 340.395 1.296 0 40 EDAB O=c1cc2c(nn1CC1CCN([C@@H]3CCC[C@@H]3O)CC1)CCCC2 585500372 IFZSXECMQLAEAX-MSOLQXFVSA-N 331.460 1.748 0 40 EDAB O=c1cc2c(nn1CC1CN(c3ncnc4sccc34)C1)CCC2 585603636 DTPWCSXZIPNWGS-UHFFFAOYSA-N 339.424 1.873 0 40 EDAB CC(=O)OC(C)(C)C(=O)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618254872 GAMKEZLEJRQMMW-CYBMUJFWSA-N 343.383 1.951 0 40 EDAB O=C(NCc1ccco1)C(=O)NCC1CCN(CC(F)(F)F)CC1 283281150 ZGJZRPPZUNTWQS-UHFFFAOYSA-N 347.337 1.286 0 40 EDAB Cc1nsc(N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)n1 96429152 VWXPMPRGLBDMLH-UHFFFAOYSA-N 342.428 1.177 0 40 EDAB COc1cccc(NC(=O)[C@@H](C)n2c(=O)[nH]c3ccccc3c2=O)c1 25077052 ZAXDSTAWPKVFDA-LLVKDONJSA-N 339.351 1.898 0 40 EDAB Cc1c(C(=O)N2CCn3cccc3[C@H]2C)cnn1-c1ccc(O)nn1 30261588 UZSDBWDGFPMXRL-GFCCVEGCSA-N 338.371 1.695 0 40 EDAB O=C(CSc1ncnc2c1cnn2CCO)N1CCCCCC1 82062 IGJAWRCEGSTBFB-UHFFFAOYSA-N 335.433 1.313 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccccc1Cl 30848428 ZZEBAFMDYFVWNE-ZDUSSCGKSA-N 340.807 1.774 0 40 EDAB Cc1cc(C)cc(OCC(=O)NC2CCN(S(C)(=O)=O)CC2)c1 40497270 FQJJJNLKPPMYLS-UHFFFAOYSA-N 340.445 1.222 0 40 EDAB O=C(NCCNc1cnccn1)c1ccc(N2CCCC2=O)cc1 31599192 PRTSYEYOQFFWQX-UHFFFAOYSA-N 325.372 1.445 0 40 EDAB O=C(/N=c1/ccccn1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 100789600 QGJSODPDNGKKPQ-ROAZCBAYSA-N 330.409 1.398 0 40 EDAB CC(C)[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)c2ccccc2C1=O 133378 VMFROCJXOLZRRJ-SWLSCSKDSA-N 330.384 1.602 0 40 EDAB O=C1C[C@@H](C(=O)N2CCOc3ccccc32)CN1CC(F)(F)F 40516257 XXUPRSOANOZANB-SNVBAGLBSA-N 328.290 1.823 0 40 EDAB O=C(CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 40536491 ZSQAAEVORSDNNU-MRXNPFEDSA-N 346.427 1.844 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccco3)CC2)C1 40501586 AZKZYIPPXGPVKW-CQSZACIVSA-N 327.450 1.374 0 40 EDAB O=C(c1c[nH]c(=O)[nH]1)N1CCN(Cc2cccc3ccccc23)CC1 31970025 NCCLAYYMMZXLAH-UHFFFAOYSA-N 336.395 1.814 0 40 EDAB COc1ccc(-c2nnc(SCC(=O)NC3CC3)nc2O)cc1 32778619 XVENILYLUMJKLK-UHFFFAOYSA-N 332.385 1.624 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCc2cccc(Cl)c2)C[C@@H](C)O1 32895602 JMJSIALRRHAQSW-TXEJJXNPSA-N 332.853 1.826 0 40 EDAB O=C(NC1CCCCC1)C1CCN(c2ccc3nnnn3n2)CC1 32908796 FPOHUAWZJQGHGR-UHFFFAOYSA-N 329.408 1.185 0 40 EDAB C[C@@H](NC(=O)N1CCN(c2ccccc2O)CC1)c1nncn1C 46963716 QSWCHZIOAHHMBA-GFCCVEGCSA-N 330.392 1.114 0 40 EDAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2cn(C)nc2C)c1 2804586 PZFRIQXQKILMNW-JTQLQIEISA-N 339.417 1.785 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)CN3CCOCC3)o2)n1 22266659 AOVAJWBRRDLSDO-AWEZNQCLSA-N 346.431 1.592 0 40 EDAB Cn1cc(N2CCC[C@H](Nc3ccccc3S(C)(=O)=O)C2)cn1 78368744 ORLZJEVYSPJAKR-ZDUSSCGKSA-N 334.445 1.905 0 40 EDAB CCc1cccc(S(=O)(=O)NCCc2cccc(C(N)=O)c2)c1 79047961 JKCBSVIQVKCCKH-UHFFFAOYSA-N 332.425 1.869 0 40 EDAB C[C@@H]1CN(C2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)CCO1 71821632 FKKSPLUVBHZJRE-CQSZACIVSA-N 346.427 1.670 0 40 EDAB O=C(NCCc1ccccn1)NCC1(N2CCOCC2)CCCCC1 54038321 NIWZJSFEZADSBN-UHFFFAOYSA-N 346.475 1.958 0 40 EDAB COc1cc(OC)cc(C(=O)NCC(=O)NCc2cnc(C)s2)c1 71886008 VTESJBKAMSBWKY-UHFFFAOYSA-N 349.412 1.515 0 40 EDAB NC(=O)CC1CCN(C(=O)NCc2noc(-c3cccs3)n2)CC1 71842080 HAAQMTLVYYULOD-UHFFFAOYSA-N 349.416 1.595 0 40 EDAB CCCS(=O)(=O)NC1CCN(CC(=O)N2CCCC[C@H]2C)CC1 54338503 KXIDXMUNCRUKBX-CQSZACIVSA-N 345.509 1.181 0 40 EDAB CC(C)[C@H](NC(=O)CN1CCOCC1)c1ccc2c(c1)OCCO2 23640952 MJFQAXGLYGFGRF-SFHVURJKSA-N 334.416 1.603 0 40 EDAB COc1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cn1 61718205 LBPYBKTWNSRTEK-UHFFFAOYSA-N 326.312 1.546 0 40 EDAB COC(=O)c1ccc(CCNS(=O)(=O)N2CCCCCC2)cc1 24485067 FUXDUYPBSMRICY-UHFFFAOYSA-N 340.445 1.726 0 40 EDAB C[C@@H](NC(=O)NCCCn1nc2n(c1=O)CCCC2)c1cccs1 43289076 KFGQDPDXOVAQPF-GFCCVEGCSA-N 349.460 1.893 0 40 EDAB CSc1nc2nc(C)c(CC(=O)NC[C@H]3CCCO3)c(C)n2n1 25182724 ZNKAHHHKYVNJKR-LLVKDONJSA-N 335.433 1.301 0 40 EDAB NC(=O)N1CCC(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 48088006 XLNFQUMSMHLQPE-CQSZACIVSA-N 334.420 1.323 0 40 EDAB Cc1cccc(OCCNC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 26904675 AZKJLJUQENSETR-KRWDZBQOSA-N 341.411 1.770 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)NCCCc3ccccc3)C2)cn1 71910813 CSUGRJUVRFXZBS-INIZCTEOSA-N 327.432 1.931 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@]1(C)CC1(Cl)Cl 71905686 UZAPVCHGFXYJQU-ZDUSSCGKSA-N 343.214 1.840 0 40 EDAB c1cnc2nc(SCCCSc3nc4ncccn4n3)nn2c1 10076695 JXMOFSNDKNUIPI-UHFFFAOYSA-N 344.429 1.837 0 40 EDAB COc1ccc(N[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)cn1 71902411 MDTFOHCLHJFGBP-ZDUSSCGKSA-N 342.403 1.029 0 40 EDAB CCC(=O)N1CCN(c2ccccc2[C@H]2C[C@@H](C(N)=O)CC2=O)CC1 57328032 ZRJJINSWELEWMP-UKRRQHHQSA-N 343.427 1.293 0 40 EDAB Cc1cccc(-c2nc(CS(=O)(=O)CCC(=O)N(C)C)no2)c1 44938853 ZRSTVSHTAMSISQ-UHFFFAOYSA-N 337.401 1.438 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 58310967 IFZQEZZGNOWOTC-NJZAAPMLSA-N 332.400 1.769 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N1CCCN(C(=O)OCC(C)C)CC1 58378304 VPHVGRRGKVWXOV-CYBMUJFWSA-N 342.440 1.021 0 40 EDAB CCOC(=O)[C@H]1CCCCN1Cc1cc(=O)n2c(C)csc2n1 48288689 YMDOGCDRKQQUJM-CYBMUJFWSA-N 335.429 1.982 0 40 EDAB C[C@@H](NC(=O)NCC1CCN(S(C)(=O)=O)CC1)c1ccccc1 60321927 FCQKONHVOQJXCM-CYBMUJFWSA-N 339.461 1.718 0 40 EDAB O=C(COC[C@@H]1C[C@H]2OCCN(Cc3ccco3)[C@@H]2C1)N1CCCC1 107257938 QWFUVKSXAADZAZ-CGTJXYLNSA-N 348.443 1.898 0 40 EDAB CN(CC(=O)N1CCC[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 45569808 WFTVJLJWYSFRRG-CVEARBPZSA-N 336.457 1.469 0 40 EDAB C[C@H](N[C@H](C)C(=O)N1CCOCC1)c1ccc(NC(=O)C2CC2)cc1 45812393 FIVNUWFUAJRZLF-UONOGXRCSA-N 345.443 1.933 0 40 EDAB CNC(=O)CO[C@@H]1COC2(CCN(C(=O)c3ccc(C)cc3)CC2)C1 63527432 LGWGAAIFUQPDQQ-INIZCTEOSA-N 346.427 1.521 0 40 EDAB CCCNC(=O)CN1CCC(Nc2ccc(C(=O)OCC)cn2)CC1 29622266 STIGYHFGRSSQMM-UHFFFAOYSA-N 348.447 1.661 0 40 EDAB CN(C)C(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1 46303501 RCCWSJKMAGXFSR-UHFFFAOYSA-N 348.380 1.887 0 40 EDAB COc1ccc(CNC(=O)COC(=O)COc2ccccc2)cc1 3388933 OHWWABMSZOIRAO-UHFFFAOYSA-N 329.352 1.934 0 40 EDAB CCNC(=O)COc1ccc(CNC(=O)c2ccco2)cc1OC 48337930 PZBZLFXHBGTPIX-UHFFFAOYSA-N 332.356 1.733 0 40 EDAB O=C(Nc1ccccc1Cn1cccn1)N[C@@H]1CCS(=O)(=O)C1 48312715 PXFJYMVNZVOKQX-CYBMUJFWSA-N 334.401 1.240 0 40 EDAB Cc1ccc(OCCN(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 48301289 JCKIYVFINQNISD-CYBMUJFWSA-N 326.418 1.202 0 40 EDAB Cc1ccc(C)c(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 23989656 XEXGLWKSSLAJCS-UHFFFAOYSA-N 325.372 1.582 0 40 EDAB COc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 12995722 IJAUDPXWRJFYPR-UHFFFAOYSA-N 339.351 1.727 0 40 EDAB Cc1cc(C)c(CNC(=O)Cn2ccc(C(F)(F)F)n2)c(=O)[nH]1 13002212 LTIBOLBSLJXZFX-UHFFFAOYSA-N 328.294 1.523 0 40 EDAB CNS(=O)(=O)CC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 83087605 YWZVKROVJOHVJX-MRVPVSSYSA-N 339.244 1.762 0 40 EDAB COc1ccc(-n2cnnn2)c(NS(=O)(=O)c2ccccc2)c1 71285255 LMADGHAUUUIXDW-UHFFFAOYSA-N 331.357 1.472 0 40 EDAB O=S1(=O)C[C@H](NCc2ccccc2)[C@@H](NCc2ccccc2)C1 39280002 VBWQFJPGNFMRGR-ROUUACIJSA-N 330.453 1.732 0 40 EDAB COC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 65443754 TUJDORVFHDBEBZ-QWRGUYRKSA-N 329.422 1.071 0 40 EDAB CC(C)N(C)S(=O)(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 65437658 WJQNZOQQJZZESK-AWEZNQCLSA-N 340.424 1.823 0 40 EDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)NCCCC(N)=O)c1 65594108 BKITZVLKPPLSIF-CQSZACIVSA-N 335.404 1.816 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2n[nH]c3ccccc23)CC1 65563981 KANJBJIVISJSBS-HNNXBMFYSA-N 341.415 1.117 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@H](n2cccn2)C1 65609743 SQSBYPOGDQTQSY-AWEZNQCLSA-N 337.383 1.457 0 40 EDAB O=C(NCCNc1ccccn1)N[C@H]1CCCc2c1cnn2CCO 65610593 ONCMWTUOYGOIOA-AWEZNQCLSA-N 344.419 1.059 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1C 6558529 YERVXFSYPXWYGK-CQSZACIVSA-N 345.486 1.728 0 40 EDAB CCn1c([C@H](C)NC(=O)CNC(=O)NC2CC2)nc2ccccc21 65928057 MZPJTTGZGAVCHH-NSHDSACASA-N 329.404 1.695 0 40 EDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2cc(C)ccc2OC)c1 14381260 BNNGZMWNBGEGLD-UHFFFAOYSA-N 330.340 1.591 0 40 EDAB C[C@@H](Cn1cncn1)NS(=O)(=O)/C=C/c1ccccc1Cl 66579555 KDUKKWSHHSOHOM-MLRMMBSGSA-N 326.809 1.910 0 40 EDAB O=C(c1conc1-c1ccc(Cl)cc1)N1CCN(CCO)CC1 87083705 BRRWVVCENMTWFG-UHFFFAOYSA-N 335.791 1.745 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2C2CC2)c1C 9384894 IEBZOUFWNPQWRG-UHFFFAOYSA-N 335.389 1.715 0 40 EDAB Cc1nc(CCN[C@H](C)c2ccc(S(N)(=O)=O)cc2)cs1 91283133 CUJSXYXOFJKTAM-SNVBAGLBSA-N 325.459 1.992 0 40 EDAB COCCOc1ncccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 71795646 AJCNHNNZSUSQHI-CQSZACIVSA-N 334.420 1.809 0 40 EDAB C[C@@H](Cn1cccn1)NCCCOc1ccc(S(C)(=O)=O)cc1 69328409 ODCOINMZYUEQMK-AWEZNQCLSA-N 337.445 1.734 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 17012120 YVFMEGKQRQYZRG-XPTSAGLGSA-N 340.326 1.846 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 69451983 UBXCEJMZFKUPGN-SZNDQCEHSA-N 344.502 1.055 0 40 EDAB Cc1c(C(=O)N(C)Cc2ccc(F)cc2)cnn1-c1ccc(=O)[nH]n1 69419195 QCJBQSHSNRKYKI-UHFFFAOYSA-N 341.346 1.675 0 40 EDAB COCCN(C)C[C@H]1CCCN1S(=O)(=O)Cc1ccccc1F 69530009 VGSGMMXMIQFSCO-OAHLLOKOSA-N 344.452 1.698 0 40 EDAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccnc2ccnn12 69656772 RNBBKKVFCKTODD-UHFFFAOYSA-N 336.307 1.853 0 40 EDAB Nc1nc(N)nc(COC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 17707431 QSTCYGYMLSMBSR-UHFFFAOYSA-N 333.779 1.855 0 40 EDAB COCC(=O)N1CCC(NS(=O)(=O)Cc2ccccc2C)CC1 69737892 SZRPWFDZQTUULZ-UHFFFAOYSA-N 340.445 1.052 0 40 EDAB COCCCn1nnc(C2(NC(=O)c3ccccc3)CCCC2)n1 96408062 ISXNCAQWJGIWGO-UHFFFAOYSA-N 329.404 1.909 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 8734685 KKJKQZLVDHMEHR-NSHDSACASA-N 341.367 1.929 0 40 EDAB COc1cccc(NC(=O)COc2ccccc2P(=O)(O)O)c1 9530991 RAGQGGPMVFHHRB-UHFFFAOYSA-N 337.268 1.516 0 40 EDAB in-vitro CN(C)Cc1cc(CC2(NCc3ccc4c(c3)OCO4)COC2)no1 67897808 IOGOZXOGTNNELS-UHFFFAOYSA-N 345.399 1.566 0 40 EDAB biogenic,in-vitro O=C(CN1CCOCC1)Nc1ccc(-c2cn3cccnc3n2)cc1 97048945 IELJCKSDXUXVDH-UHFFFAOYSA-N 337.383 1.667 0 40 EDAB COc1ccc(S(=O)(=O)NCCCc2cnn(C)c2)c(C)c1F 97084055 DPNBUWUIEROZNE-UHFFFAOYSA-N 341.408 1.787 0 40 EDAB O=C1[C@H](NC(=O)C2(O)CCC2)CCN1c1ccc(C(F)(F)F)cc1 97097434 KUKHQVKTQYZKOM-GFCCVEGCSA-N 342.317 1.842 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cc(-c3ccccc3)[nH]n2)C1 97051636 XDFXMOLLPRQXMD-HNNXBMFYSA-N 334.445 1.590 0 40 EDAB CCn1c(C)nnc1S(=O)(=O)CC(=O)N1[C@@H](C)CCC[C@@H]1C 72273329 KJNSXUIAJDFLBQ-QWRGUYRKSA-N 328.438 1.170 0 40 EDAB O=C(CN1CCC(c2c[nH]c3ncccc23)CC1)N1CCNC1=O 72296419 FTWYSQVOZWWWAI-UHFFFAOYSA-N 327.388 1.294 0 40 EDAB COCCCN(C)CCNC(=O)Nc1cccc(-c2nnco2)c1 72303909 HZWCZKDODXOYKK-UHFFFAOYSA-N 333.392 1.826 0 40 EDAB C[C@]1(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)NC(=O)NC1=O 72306665 CTYWXLGYTSGURQ-MRXNPFEDSA-N 335.791 1.790 0 40 EDAB CC(C)Cc1nnc(NC(=O)CN(C)[C@H]2CCCCNC2=O)s1 97228572 NUIMYARZFKQLNZ-NSHDSACASA-N 339.465 1.276 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@@H]1N1CCOCC1 84736102 RHKNGYQDPGABIA-ZBFHGGJFSA-N 328.416 1.517 0 40 EDAB Cn1ccc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 95418637 VVKQDLCOVQOIRU-MSOLQXFVSA-N 325.412 1.751 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCSC[C@@H]2CC(=O)O)cc1 95403624 WIDQWHVHFLZRGU-AWEZNQCLSA-N 336.413 1.355 0 40 EDAB CCn1nc(C)c(NC(=O)CN2CCN(c3ccccn3)CC2)c1C 74066625 AZBCKBKJRONITM-UHFFFAOYSA-N 342.447 1.676 0 40 EDAB CN(C)S(=O)(=O)N(C)[C@@H](CO)c1cccc(Br)c1 95980883 NMWIJLZNFSWFPJ-NSHDSACASA-N 337.239 1.221 0 40 EDAB CCc1ncnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1F 95977035 YOZUAYONGASHFF-INIZCTEOSA-N 343.406 1.527 0 40 EDAB CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 95993562 WMEBPZRTZDNLTE-SOUVJXGZSA-N 339.480 1.824 0 40 EDAB CS(=O)(=O)CCCN1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 89484261 TYALWUIBMISJHN-IAGOWNOFSA-N 338.473 1.006 0 40 EDAB CCS(=O)(=O)NC[C@H]1CO[C@@H]2CN(Cc3ccc(C)s3)C[C@H]12 306140180 UMHUGUQYKPTOCL-NWANDNLSSA-N 344.502 1.443 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N2CCN(C)C[C@H]2C)n1 89969114 DEZHUPAWEZHHGY-LLVKDONJSA-N 325.844 1.752 0 40 EDAB NC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1nnc(-c2ccccc2)s1 75500533 RJFUATFXOXLPOA-WDEREUQCSA-N 331.401 1.981 0 40 EDAB c1ccc(-c2nc(CN3CCO[C@@H](Cn4cncn4)C3)no2)cc1 75605713 YPZBMPFPOIASMX-CQSZACIVSA-N 326.360 1.229 0 40 EDAB C[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@@H]1N1CCOCC1 76054830 XWYNTOFVTPJZBQ-RYUDHWBXSA-N 346.353 1.081 0 40 EDAB CC(C)c1nc([C@@H]2CCCN2C(=O)Cc2nc3ncccn3n2)no1 76044428 XPZBOTRPJDVTJJ-NSHDSACASA-N 341.375 1.537 0 40 EDAB CN(C)C(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccc4[nH]ccc34)C[C@@H]21 306142113 WPTSCTZRZCPUTK-QGPMSJSTSA-N 342.443 1.886 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)cn1 547458869 LFUWFRSXYRZGGY-OAHLLOKOSA-N 345.424 1.447 0 40 EDAB CSC[C@@](C)(O)CNS(=O)(=O)c1cccc2cc(C)cnc12 120403293 XSWQNDZNMMDNMJ-HNNXBMFYSA-N 340.470 1.936 0 40 EDAB Cn1ccc(-c2cc(C(F)(F)F)n3nc(CCC(=O)O)nc3n2)n1 35655571 LNQMJNLCNYVWGJ-UHFFFAOYSA-N 340.265 1.561 0 40 EDAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1S(N)(=O)=O 60781882 XDFDTQIQJICYGJ-UHFFFAOYSA-N 338.429 1.963 0 40 EDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(C)=O)c1 32639802 QZORIMHNNZCJGA-KBPBESRZSA-N 338.454 1.984 0 40 EDAB COCCN1CCCN(C(=O)C2=Cc3cccc(OC)c3OC2)CC1 79335638 IGTNEIGVWPLCKO-UHFFFAOYSA-N 346.427 1.652 0 40 EDAB CCOC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326486 DEBKXGYHLZMXJL-SGTLLEGYSA-N 345.399 1.502 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N(CCO)c1cccc(F)c1 122500950 VBGLGESEDSGOPY-UHFFFAOYSA-N 337.372 1.948 0 40 EDAB CC(C)CNC(=O)CN1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 180694513 KIPZFTRRFPXUSX-IOASZLSFSA-N 328.478 1.599 0 40 EDAB O=C(CN1C(=O)C(=O)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 32727470 BRAGVBDQMCODKK-UHFFFAOYSA-N 341.298 1.760 0 40 EDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CO)cc1 218111371 GTYISAMDORGFHF-RCCFBDPRSA-N 347.436 1.633 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCC1 217533256 HQQPJMZHDGGOMX-NSHDSACASA-N 342.417 1.298 0 40 EDAB Cc1c(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(F)c2)cnn1C 72242305 NINZRINRCUJWSC-WBVHZDCISA-N 344.390 1.703 0 40 EDAB COc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 78611866 AAUFFOPBOJIAJZ-ZDUSSCGKSA-N 331.416 1.767 0 40 EDAB CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)cc1 71285819 VHZRLLKNZKMZJP-KGLIPLIRSA-N 347.415 1.273 0 40 EDAB COc1cccc(NC(=O)Cn2c(=O)nc(N)c3cc(C)sc32)c1 40283905 VMENAUBFOMUJKI-UHFFFAOYSA-N 344.396 1.996 0 40 EDAB CCOCCCNC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 223356606 DRENGRMHOFTBNS-CQSZACIVSA-N 328.434 1.162 0 40 EDAB CN([C@H](Cc1ccccc1)C(=O)O)S(=O)(=O)N1CCCCCC1 567808620 WVPFAIJXSGEVRU-OAHLLOKOSA-N 340.445 1.735 0 40 EDAB COc1ccccc1OCC(=O)N1CCC[C@H](Oc2cccnn2)C1 225453060 WGCZRNFXJIQGPG-AWEZNQCLSA-N 343.383 1.934 0 40 EDAB Cc1ncn(CC(=O)NCc2ccnc(-c3ccco3)c2)c(=O)c1C 225656710 GAQUWEPNQAOLRP-UHFFFAOYSA-N 338.367 1.832 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(OCc2nnc(N)s2)cc1 222644810 QFNHJJSLFQTWRS-UHFFFAOYSA-N 342.446 1.634 0 40 EDAB CN(C)c1ncc(NS(=O)(=O)c2cccc(F)c2)c(N(C)C)n1 224342277 CBWZDODALIFWHP-UHFFFAOYSA-N 339.396 1.549 0 40 EDAB CN1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H]1c1ccc(F)c(F)c1 195547253 MCPRXUOZVXWPJQ-WBVHZDCISA-N 347.365 1.839 0 40 EDAB C[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)[C@H]1CCCCN1 583651852 UGUYWYWETADBCY-CRAIPNDOSA-N 331.460 1.779 0 40 EDAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)NC[C@@](C)(O)CN1CCOCC1 195533930 DUDGJJZDPGTZSE-ZIFCJYIRSA-N 332.444 1.298 0 40 EDAB CC(C)N1C[C@]2(CO[C@@H](C(=O)NCCN(C)C)C2)c2ccccc21 96262824 WMXIOYAYYSNURR-IEBWSBKVSA-N 331.460 1.620 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccoc1)C2 96065008 UYRBHPBOXPFLGY-WMZOPIPTSA-N 336.432 1.869 0 40 EDAB O=C(O)c1cccc(OCCN2CCN(c3cnccn3)CC2)c1 581829608 CDCQEBZQBSBIKL-UHFFFAOYSA-N 328.372 1.376 0 40 EDAB Cc1ccc(-c2nc(CNC(=O)C3=NN(C)C(=O)CC3)co2)cc1 96443913 CLKVWJCRKOPGPJ-UHFFFAOYSA-N 326.356 1.874 0 40 EDAB O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NCCO 96231410 DDTMJWZGXBTTSS-UHFFFAOYSA-N 329.381 1.302 0 40 EDAB CN(C)C(=O)[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 96188780 NOZYNJRJCIFDDM-AWEZNQCLSA-N 342.399 1.332 0 40 EDAB Cc1noc(C)c1CN1C[C@@]2(CCN(c3ccncn3)C2)CC1=O 96077937 PCXYZCGKQWPFOR-KRWDZBQOSA-N 327.388 1.710 0 40 EDAB O=C(NC1CC1)N1CCc2ccc(=O)n(Cc3cccnc3)c2CC1 96196721 PCFHPKNGSBNMST-UHFFFAOYSA-N 338.411 1.564 0 40 EDAB Cc1cnc(C(=O)N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)cn1 97953887 RKUWWUHUZNDBJQ-FPMFFAJLSA-N 341.371 1.648 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 96115507 FSHAWAQWSNTJMX-IAQYHMDHSA-N 341.367 1.468 0 40 EDAB biogenic Cc1ccc(CN2CCO[C@H]3CN(C(=O)c4cccn4C)C[C@H]32)o1 96248795 UUGGMNBJUUOYIZ-SJORKVTESA-N 329.400 1.652 0 40 EDAB C[C@@H]1CO[C@H](CO)CN1CCOc1ccccc1Br 93793248 NLUVFVGWOYERPI-NEPJUHHUSA-N 330.222 1.910 0 40 EDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccc(C)o1 96045366 CWIRFHKYAFMIPO-AWEZNQCLSA-N 330.388 1.976 0 40 EDAB COc1ccsc1S(=O)(=O)N1CCC[C@@H](N2CCOCC2)C1 583651678 RAGJSJBJNOREPJ-GFCCVEGCSA-N 346.474 1.242 0 40 EDAB COc1cc(C(=O)N[C@@H]2CCc3nc(C)cn3C2)cc2c1OCCO2 97198188 NLAUAYXCXGWNRI-CYBMUJFWSA-N 343.383 1.716 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1cccnc1OC)C2 247816157 BHKPIOWUVSGRPF-CQSZACIVSA-N 340.445 1.116 0 40 EDAB NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)C[C@H]1OCCc2ccccc21 245358631 ZYTGKKUEZCWQQL-DETOBHCWSA-N 328.412 1.707 0 40 EDAB Cc1cnn(CC(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)c1 257220754 DLZWIRMODABTEQ-HNNXBMFYSA-N 329.404 1.253 0 40 EDAB Cc1nccc(CNC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)n1 252483716 FHHOKFFMCPVJJV-HZPDHXFCSA-N 330.363 1.942 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 253488788 BVIVKMFUAOVRAS-CYBMUJFWSA-N 326.418 1.039 0 40 EDAB CC(C)(C)OC(=O)N1CC(NC(=O)c2ccoc2C2CC2)(C(N)=O)C1 585086076 LXLLARHWBRDCTK-UHFFFAOYSA-N 349.387 1.362 0 40 EDAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCN(C(=O)C2CC2)CC1 25590009 RIWMRTXSXDXJNJ-UHFFFAOYSA-N 338.411 1.496 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2S(=O)(=O)c2cccs2)n1 257224074 FAFCUKIDBCZLQD-LLVKDONJSA-N 341.414 1.314 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccc(C(F)(F)F)nc1)C2 69461626 GXXKRSAXPPPDES-UHFFFAOYSA-N 325.294 1.910 0 40 EDAB Cc1oc2c(c1C(=O)N1CC[C@@H]3NC(=O)CO[C@H]3CC1)CCCC2 257310226 UEGGPDXADDXWAW-ZFWWWQNUSA-N 332.400 1.586 0 40 EDAB Cn1cnnc1CNC(=O)CCc1ccsc1Br 1615056573 KNURJGOGINPFKM-UHFFFAOYSA-N 329.223 1.888 0 40 EDAB C[C@H]1Cc2cc(Cl)ccc2N1C(=O)C1CN(S(C)(=O)=O)C1 1615548706 IMNLJKWEYCUBED-VIFPVBQESA-N 328.821 1.509 0 40 EDAB CC(C)CNC1(CO)CCN(c2nccn(CC(C)C)c2=O)CC1 1615556078 WDQAAZSQTUDMMT-UHFFFAOYSA-N 336.480 1.476 0 40 EDAB Cc1csc(CN(C[C@H]2CCCO2)C(=O)Cc2cnnn2C)n1 1615557324 ZDJNHLCRGLCUQS-CYBMUJFWSA-N 335.433 1.330 0 40 EDAB Cn1cc(-c2noc(CNC(=O)c3nn(C)c4ccccc34)n2)cn1 390831131 PUVPNXVCSNFZTF-UHFFFAOYSA-N 337.343 1.287 0 40 EDAB O=C(Cn1nnnc1-c1ccccc1)N[C@H]1CCc2ncsc2C1 822893059 QGCGYOOMGUYQOQ-LBPRGKRZSA-N 340.412 1.470 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)CCN3CCOCC3)C2)c1 585274056 ZSNKUBYNKZTKPG-LJQANCHMSA-N 348.443 1.060 0 40 EDAB CN(C)C(=O)CC[C@@]1(O)CCCN(Cc2ccccc2C(=O)O)C1 585276793 JBVTXWXWTDXFHX-SFHVURJKSA-N 334.416 1.580 0 40 EDAB CO[C@]1(COc2ccccc2)COCCN(C(=O)C2CCNCC2)C1 585269379 QYVHMJQDCOVRJL-IBGZPJMESA-N 348.443 1.309 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)c1ccc(OC(C)C)cc1 585279192 VDHULQXJZUOPPE-GOSISDBHSA-N 334.416 1.970 0 40 EDAB c1cncc(-c2noc(CN[C@H]3CCCN(c4cccnn4)C3)n2)c1 69875126 OYFCMXGCWPZIBI-AWEZNQCLSA-N 337.387 1.680 0 40 EDAB Cc1cc(N2C[C@@H]3CCN(C)C[C@@H]3C2)n2nc(C(F)(F)F)nc2n1 1549183337 GQSJGFKBSIBLKO-WDEREUQCSA-N 340.353 1.839 0 40 EDAB CN1CC[C@H](C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1=O 44343604 RLJDRIQNSLMFJK-IRXDYDNUSA-N 345.443 1.045 0 40 EDAB COc1ccnc(N2C[C@H]3CN(C(=O)C4CC(F)(F)C4)C[C@H]3C2)n1 1065986694 XGARJCRURAWDLH-TXEJJXNPSA-N 338.358 1.425 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc2nccnc2c1 55443592 XIVHKCVSJFBGHT-AWEZNQCLSA-N 334.401 1.382 0 40 EDAB CCc1cnc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)s1 81232859 GXEXYEPNDIEFCP-GXTWGEPZSA-N 347.444 1.987 0 40 EDAB Fc1cncnc1N1CCN(c2ccc(-c3ccco3)nn2)CC1 1775978400 RFFCDTIQSUSQRV-UHFFFAOYSA-N 326.335 1.992 0 40 EDAB O=C(COC(=O)c1cccs1)NC[C@H]1COc2ccccc2O1 5215746 YBIWPZJZMLPEAP-NSHDSACASA-N 333.365 1.861 0 40 EDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 16455073 JIUHQJAHXUBALC-QGZVFWFLSA-N 333.363 1.652 0 40 EDAB NC(=O)c1ccc(COC(=O)CNC(=O)c2ccccc2F)cc1 16762815 HOQGCLISPZKUCJ-UHFFFAOYSA-N 330.315 1.398 0 40 EDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2O)C1=O 8105238 QVMPFMXVIHGNQI-WQLSENKSSA-N 336.369 1.191 0 40 EDAB C[C@H]1CN(C(=O)c2nn(C)cc2I)C[C@@H](C)O1 17072495 WGFHSNLGSKIBKK-OCAPTIKFSA-N 349.172 1.274 0 40 EDAB CCCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(CC)CC1 19502127 VQMITMDPZCWEEE-HZPDHXFCSA-N 336.484 1.721 0 40 EDAB COc1ccc2c(c1)C=C(CN1CCn3c(CO)nnc3C1)CO2 19562275 RHFDMUBCRSDBPN-UHFFFAOYSA-N 328.372 1.071 0 40 EDAB COCc1cc(=O)[nH]c([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 19594298 YVMUAMSREDQGGQ-LBPRGKRZSA-N 328.372 1.331 0 40 EDAB C[C@@H](CNC(=O)CCc1cn(C)c2ccccc12)N1CCOCC1 19657535 ONPDJFPWWKIQBM-HNNXBMFYSA-N 329.444 1.948 0 40 EDAB Cc1cccc(CNC(=O)C2CN(C(=O)Cc3ccc(F)cc3)C2)n1 19747583 XGWZKQCHKWYSKL-UHFFFAOYSA-N 341.386 1.846 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@](O)(c2cccs2)C2CC2)cn1 206700914 PULAQPMEFCSPED-CYBMUJFWSA-N 327.431 1.058 0 40 EDAB C[C@H](C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O 1888901211 VIZLMKYUGCYPBG-SECBINFHSA-N 326.278 1.535 0 40 EDAB Cc1cn2nc(N3CCN(c4ccn5nccc5n4)CC3)ccc2n1 1888913872 DFOYXCZUVTXJQR-UHFFFAOYSA-N 334.387 1.407 0 40 EDAB Cc1cc2c(N3CCN(c4ncnc5c4ncn5C)CC3)nccn2n1 1888914147 VOXPGJNJMKEKFA-UHFFFAOYSA-N 349.402 1.041 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C3CC3)CC2=O)cc1OC 23056423 GUQAXYDSVRZVRR-WCQYABFASA-N 332.400 1.971 0 40 EDAB O=C(Cc1ccccc1Cl)NCCn1nnc2ccccc2c1=O 238832448 GFVMTUDAMWOAOI-UHFFFAOYSA-N 342.786 1.804 0 40 EDAB CN1CCCC[C@@]2(CN(C(=O)COc3ccccc3)CCO2)C1=O 2037985360 HFYNFIZRXHEUFA-GOSISDBHSA-N 332.400 1.305 0 40 EDAB Cc1cc(N2CCN(Cc3ccncc3F)[C@@H](C)C2)n2ncnc2n1 2086967252 QDYCUBPPGJVRJJ-ZDUSSCGKSA-N 341.394 1.678 0 40 EDAB CCn1cnc2c(N3C[C@H]4CN(c5ncccn5)C[C@H]4C3)ncnc21 2087030040 NKPLJTMDIXHQMT-BETUJISGSA-N 336.403 1.209 0 40 EDAB COCCN1C(=O)CCC12CCN(C(=O)CCc1cncnc1)CC2 1565548808 KCRAQISAKDNGSE-UHFFFAOYSA-N 346.431 1.039 0 40 EDAB CC[C@@H]1S[C@@H](CC)C(=O)N(CC(=O)NCc2ccccc2)C1=O 2711056 KWJGKAORLWOJJS-KBPBESRZSA-N 334.441 1.962 0 40 EDAB CCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(C)cc3)nnc12 10967961 NTCFYARVKLQLHS-UHFFFAOYSA-N 338.371 1.077 0 40 EDAB CC(C)CCNC(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1 12422918 WCFXJSILUAYBFQ-UHFFFAOYSA-N 348.428 1.789 0 40 EDAB CC(C)(C)C(=O)N1C[C@@H](C(=O)NCc2ccco2)C[C@H]2OCC[C@H]21 2055718388 PMAKNCILMQTHQG-NWANDNLSSA-N 334.416 1.948 0 40 EDAB COc1cccc(CNc2ccnc3c2c(=O)n(C)c(=O)n3C)c1 22767833 NWNBSLVJTGFXFD-UHFFFAOYSA-N 326.356 1.253 0 40 EDAB CN([C@@H]1CCCN(c2nccn3nccc23)C1)S(=O)(=O)C1CC1 2086886956 JEGJZHBSNGAMPJ-GFCCVEGCSA-N 335.433 1.122 0 40 EDAB COc1ccccc1OCC(=O)N1CCC[C@H](Oc2ccncn2)C1 575608502 GEFFGAYYKBYNPE-AWEZNQCLSA-N 343.383 1.934 0 40 EDAB COc1ccccc1C(=O)NCCNc1cc(-n2cccn2)ncn1 23144396 OOWCQOYZGKWBIM-UHFFFAOYSA-N 338.371 1.513 0 40 EDAB O=C(NC[C@@H](O)c1ccoc1)C(=O)Nc1ccc(F)c(Cl)c1 75171977 VYPFLYLKVBCRQU-GFCCVEGCSA-N 326.711 1.860 0 40 EDAB Cc1ccc(OCCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 40024933 XCQKUXFBNYELFH-UHFFFAOYSA-N 340.445 1.304 0 40 EDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1ccncc1 40285409 QVRVJGUFMXAICR-UHFFFAOYSA-N 339.399 1.544 0 40 EDAB CNC(=O)Cc1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1 40498475 DEGRUIUHZDWKCE-UHFFFAOYSA-N 337.383 1.887 0 40 EDAB C[C@H](C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)n1cncn1 40498545 PLLWITYSWUIALK-CYBMUJFWSA-N 333.823 1.837 0 40 EDAB O=c1[nH]c(=O)n(-c2ccccc2)c2c1CN(Cc1ccccc1)CN2 20522600 DRBKHQPQQDLURB-UHFFFAOYSA-N 334.379 1.911 0 40 EDAB O=C(Nc1nncs1)c1ccc(=O)n(CCOc2ccccc2)n1 21215152 VIDIPGXZHSBCBQ-UHFFFAOYSA-N 343.368 1.426 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)/C=C/c2ccc(F)cc2)CC1 32907984 XTBOAECPXXPJOW-VMPITWQZSA-N 340.420 1.769 0 40 EDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCNC(=O)c1ccoc1 41796200 WVBLRJYFWVMQSG-SNPRPXQTSA-N 348.399 1.732 0 40 EDAB 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COC(=O)Cc1c(C)nn(Cc2cnn(-c3ccccc3)n2)c1C 75147211 FLQDKVZDZQHDAD-UHFFFAOYSA-N 325.372 1.844 0 40 EDAB CC[C@H]1C(=O)NCCN1C(=O)c1cnn(CC(C)C)c1C(F)F 89764023 DGNJDBXDDQPJAL-NSHDSACASA-N 328.363 1.827 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)CCn3nc(C)cc3C)CCO2)n1 76046054 XUZIDEQMNTUVAU-CQSZACIVSA-N 346.435 1.561 0 40 EDAB COc1ccc2cc(C(=O)N3C[C@@H](C)[C@@H](N4CCOCC4)C3)[nH]c2c1 76056200 CMGREMFEVUPBSW-ACJLOTCBSA-N 343.427 1.969 0 40 EDAB CCO[C@@]1(C)C[C@H]1NC(=O)N1CCOC[C@H]1CC1CCOCC1 1548451651 URLZIHOIGMGYRD-INMHGKMJSA-N 326.437 1.781 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)N1CCN(c2ccccc2O)CC1 173471445 MOKRJEXSDHIQCG-UHFFFAOYSA-N 343.431 1.774 0 40 EDAB COCCN1CC[C@]2(CN(C(=O)Cc3ccsc3)C[C@H]2C)C1=O 306142131 WQOMBPOERBMIHB-CXAGYDPISA-N 336.457 1.634 0 40 EDAB Cc1cc(=O)n2nc(CN3CCN(CC(F)(F)F)CC3)sc2n1 24865563 KZWDXZURXWXLFC-UHFFFAOYSA-N 347.366 1.139 0 40 EDAB Cc1cc2c(cc1S(=O)(=O)N(C)Cc1ccco1)OCC(=O)N2 20491786 URGRKXBEBJWTOQ-UHFFFAOYSA-N 336.369 1.740 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 408620944 KTULYKNSCVSYDX-GMKMDLSASA-N 337.331 1.609 0 40 EDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)C2 306135183 OKHYOGIAVDUJEQ-WMLDXEAASA-N 330.428 1.559 0 40 EDAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(O[N+](=O)[O-])cc1 72333082 VOTRKZBBLNFNFT-CYBMUJFWSA-N 345.315 1.701 0 40 EDAB CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(=O)O 71335126 HMARZUXPCKWLQH-BONVTDFDSA-N 349.412 1.587 0 40 EDAB NC(=O)CN1CCC[C@@H](Cc2ccnc(Nc3ccccn3)c2)C1 72363506 SSOKMJWGNGOGIW-HNNXBMFYSA-N 325.416 1.960 0 40 EDAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)[C@@H](C)n1cnnn1 1565519067 KZZSHLZWHFXGIB-MEBBXXQBSA-N 340.387 1.918 0 40 EDAB COC(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)O 213081658 YBHGRGORRMOMMY-CYBMUJFWSA-N 338.360 1.892 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 79309595 LBHIDDJZFVPNNP-FABXCBLPSA-N 341.415 1.520 0 40 EDAB NC(=O)Cn1nc2n(Cc3ccc(F)cc3)c3ccccc3n2c1=O 72347012 OQPQEHGKODEFRJ-UHFFFAOYSA-N 339.330 1.123 0 40 EDAB Cn1ccnc1-c1cc(NC(=O)c2cn(C(C)(C)C)nn2)n(C)n1 189518658 VEPVLJLRDQZDER-UHFFFAOYSA-N 328.380 1.419 0 40 EDAB CN(C(=O)[C@H]1[C@@H](C(=O)O)C1(C)C)[C@@H]1CCc2ccccc2NC1=O 70666600 KHTOPLGFWYEBPT-MCIONIFRSA-N 330.384 1.755 0 40 EDAB NCC(=O)N1CCC(CN(C(=O)OCc2ccccc2)C2CC2)CC1 79412613 ZZZVBQLVKCCZIG-UHFFFAOYSA-N 345.443 1.985 0 40 EDAB CS(=O)(=O)NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 187230109 MVLDEWDLTLUDQJ-UHFFFAOYSA-N 325.283 1.952 0 40 EDAB CN([C@@H]1CCc2ccccc2C1)S(=O)(=O)c1cncc(C(=O)O)c1 567799661 ZLEIQWLFGPTIOV-OAHLLOKOSA-N 346.408 1.958 0 40 EDAB O=C(NCCOc1ccccc1)C(=O)Nc1n[nH]c2ncccc12 44902624 XITKCDNLQKVKDQ-UHFFFAOYSA-N 325.328 1.092 0 40 EDAB Cn1ncc2c(N)nc(N3CC[C@@H](Oc4cccc(F)c4)C3)nc21 225514301 UEYQPKMVOULSHU-GFCCVEGCSA-N 328.351 1.742 0 40 EDAB CCOC(=O)/C=C/[C@]12COC[C@H](Cc3ccccc3)N1C(=O)OC2 329780381 SQXPYPZJFNMICY-MOXZYMDWSA-N 331.368 1.938 0 40 EDAB O=C(N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCN(C(=O)c2ccccc2)C1 81767370 HGTXKOHNESQEFS-BHYGNILZSA-N 328.412 1.592 0 40 EDAB Cc1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)N2CCNC2=O)no1 85467734 ULQBJVYJPXMXHX-CQSZACIVSA-N 346.362 1.488 0 40 EDAB CC(C)CS(=O)(=O)N1CCN(Cc2nccn2C(F)F)CC1 86248363 UFFFQRNLLHEUGW-UHFFFAOYSA-N 336.408 1.382 0 40 EDAB CCn1c(C)nnc1CN1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 192829779 COAALIRDBFDNHQ-WWGRRREGSA-N 338.477 1.947 0 40 EDAB O=C(O)Cn1cccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c1=O 1595155287 VTWDZLCAILTOAP-GFCCVEGCSA-N 344.342 1.702 0 40 EDAB CC1=CCC[C@@H](C)[C@@H]1CN1CCN(CC(=O)N2CCOCC2)CC1 97104777 SVXBUARNBBITGY-QZTJIDSGSA-N 335.492 1.455 0 40 EDAB Cc1ccc([C@@H]2[C@H](C(=O)Nc3nnc(C)s3)OCC(=O)N2C)cc1 96181409 XQWKTNNVVHRHGQ-ZIAGYGMSSA-N 346.412 1.692 0 40 EDAB O=C(c1cc(F)ccc1-n1cnnn1)N1CC[C@]2(O)CCCC[C@@H]2C1 95480408 RJWQAWNDZDVINI-SJKOYZFVSA-N 345.378 1.569 0 40 EDAB O=C(N1CCCC1)N1CCCn2c(nc(CN3CCCC3)cc2=O)C1 96197573 LRQYSYYWIDKYBH-UHFFFAOYSA-N 345.447 1.261 0 40 EDAB CC(C)C(=O)N1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225819 SCWHHGAOJLNIIK-QGZVFWFLSA-N 330.388 1.101 0 40 EDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 96243544 WUOXWBSUYFUIIA-CQSZACIVSA-N 346.456 1.581 0 40 EDAB O=C(N[C@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12)c1cnccn1 96186909 KOIDWWBWNHLXRI-ARFHVFGLSA-N 344.440 1.700 0 40 EDAB Cc1ccc(CNC(=O)c2nc3c(o2)CN(c2ncccn2)C3)o1 96147316 KMOJSXBWTYWDOF-UHFFFAOYSA-N 325.328 1.816 0 40 EDAB COc1ccc([C@@H]2CCCN2CCNC(=O)c2ccc(O)nn2)cc1 90608688 ULHUERHNOCTJEU-INIZCTEOSA-N 342.399 1.758 0 40 EDAB O=S(=O)(NC[C@H]1CCC[C@]2(CCN(C3CCC3)C2)O1)C1CC1 96208464 PUNLSZIWDIJRIY-GDBMZVCRSA-N 328.478 1.634 0 40 EDAB O=C(c1cccnc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCCN1CCCC1 96041626 LWJZZSWDISENHB-RCCFBDPRSA-N 345.443 1.566 0 40 EDAB CN(C)CCOCc1nnn2c1CN(Cc1cccs1)CCC2 96058820 PPDDKMHTHMLTEL-UHFFFAOYSA-N 335.477 1.824 0 40 EDAB CS(=O)(=O)[C@H]1CCC[C@@H](NCc2scc3c2OCCO3)C1 585118681 YDIDWBGTTPZUBU-MNOVXSKESA-N 331.459 1.965 0 40 EDAB CCOC(=O)[C@H](NC(=O)[C@@H]1CC[C@@H](CC)O1)[C@@H](O)c1ccncc1 585129033 VPLOTNLRAIEWHI-BARDWOONSA-N 336.388 1.121 0 40 EDAB Cc1cc(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)n(C)n1 238862949 LCFJPKCLZZSFTG-UHFFFAOYSA-N 344.415 1.419 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(C)(C)C 95409341 HSDBIMGLIZKUGH-ZDUSSCGKSA-N 346.880 1.963 0 40 EDAB Fc1cnc(N2CC3(C2)OCC[C@@H]3COCC2CCOCC2)nc1 247529967 OJDSPFKEYXJWFY-CQSZACIVSA-N 337.395 1.654 0 40 EDAB Cc1ccc(N2CC3(C[C@@H](OCC(=O)N4CCCC4)CCO3)C2)nn1 247879965 BSZZJORVBIGGQO-HNNXBMFYSA-N 346.431 1.162 0 40 EDAB Cn1cccc1C(=O)NC[C@@H]1CO[C@@H]2CN(Cc3ccoc3)C[C@@H]21 248156562 VXTDLWJYEPHZNW-BFYDXBDKSA-N 329.400 1.495 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 247858762 LRGZRGPCDFNONM-AWEZNQCLSA-N 328.397 1.651 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C1)OCC[C@H]2CCNc1ccccn1 247331870 PDFBYLVEPCWFRU-CYBMUJFWSA-N 337.445 1.467 0 40 EDAB Cc1ccc(CC(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)s1 257285481 PHHPKTJFTFCTFM-CQSZACIVSA-N 347.440 1.955 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257222517 DTOWJRHBDWTWII-MRXNPFEDSA-N 345.374 1.724 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)s1 257316390 VFKCSRUVFOWEBD-KRWDZBQOSA-N 346.456 1.916 0 40 EDAB C[C@H]1Oc2cc(S(=O)(=O)NCCc3ccccc3)ccc2NC1=O 252482382 DEFLSFODTVDQMO-GFCCVEGCSA-N 346.408 1.927 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)n1 257339265 ZAZFOILYBHPBGR-INIZCTEOSA-N 343.431 1.698 0 40 EDAB CCn1nccc1-c1cc(C)nc([C@H]2CCCN2C(=O)COC)n1 257331381 XSPVAWMUKZFAHX-OAHLLOKOSA-N 329.404 1.978 0 40 EDAB CC(=O)N1CCC[C@H]1c1nc(C)ncc1CNC(=O)c1ccccn1 257280469 OLAKTPFFIJAGQD-INIZCTEOSA-N 339.399 1.793 0 40 EDAB COc1ccccc1[C@H]1CNCCN1C(=O)C1CCN(C(C)=O)CC1 257288614 PUYDRNWISGUJMP-QGZVFWFLSA-N 345.443 1.427 0 40 EDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3cccs3)C2)OC1 253488498 AXLZQJTZXPEIFI-CYBMUJFWSA-N 344.502 1.668 0 40 EDAB Cc1cn(C)c([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257337139 YRNZAVUILJWQMV-NSHDSACASA-N 327.431 1.552 0 40 EDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NC[C@@H]2CCCO2)c1 257216675 CVQPZYOKFMLCJC-HNNXBMFYSA-N 342.399 1.417 0 40 EDAB CCc1cccc(NC(=O)CNC(=O)N2CCC[C@H](C(=O)OC)C2)c1 265725754 IPCOBJXGLOBBBH-AWEZNQCLSA-N 347.415 1.782 0 40 EDAB COc1nccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)n1 1615042417 OMHGUBUFRBTQCI-JTQLQIEISA-N 346.774 1.674 0 40 EDAB CSc1ccc([C@H](O)CNC(=O)C(=O)NCc2ccccc2)cc1 96103250 CLCXQEPLMGVBKY-MRXNPFEDSA-N 344.436 1.875 0 40 EDAB COCC(=O)N1C[C@@H]2OC[C@H](CCOCc3cccc(C)n3)[C@@H]2C1 575404170 AGIBKALGYMANMQ-XIRDDKMYSA-N 334.416 1.417 0 40 EDAB O=C(NC[C@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1)C1CC1 575402876 DMRMZPFOZGNVDU-CYBMUJFWSA-N 344.411 1.540 0 40 EDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCO[C@H](c2ccncc2)C1 585180248 ULUFILGALAWRBG-INIZCTEOSA-N 335.367 1.876 0 40 EDAB COc1cc(CN2CC3(C[C@H](CO)CN3CC3CC3)C2)cc(OC)c1 585093850 JSQLPHQQMSBCER-KRWDZBQOSA-N 346.471 1.982 0 40 EDAB O=C(CN(CCO)CC1CC1)N1CCN(Cc2cccs2)CC1 64516267 VYIUGXRYPVPGIM-UHFFFAOYSA-N 337.489 1.097 0 40 EDAB Cc1cc(NC(=O)c2ccc(=O)[nH]n2)ccc1N1CCSCC1 69563937 QYBRZIDBRVTZOF-UHFFFAOYSA-N 330.413 1.884 0 40 EDAB COC1(CNC(=O)N2CCS(=O)(=O)CC[C@H]2C)CCCCCC1 1548451872 OIKGPQXQEZDPAN-CQSZACIVSA-N 346.493 1.944 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NCc1ccccc1F 69924384 HKESPNHWLICGJG-ZWKOTPCHSA-N 347.434 1.917 0 40 EDAB C[C@H]1CN(CCNC(=O)Nc2nnc(C3CC3)s2)C[C@@H](C)O1 43359763 RSYFBCUZGSIUMH-AOOOYVTPSA-N 325.438 1.646 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)NCCN1CCCCCC1 48276258 LWVVTTMAWXTIAK-UHFFFAOYSA-N 343.431 1.174 0 40 EDAB C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H](C(N)=O)C1 52961435 BJNJIFXTXJMZPY-QWRGUYRKSA-N 341.814 1.633 0 40 EDAB O=C(C[C@H]1CCCO1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 58357332 ORYSPPXIJMZKLA-CYBMUJFWSA-N 338.354 1.818 0 40 EDAB CC(C)=CC(=O)N1CCN(C(=O)C=C(C)C)[C@@H](c2n[nH]c(C)n2)C1 585087615 UTEAFYSFPYVVFU-CQSZACIVSA-N 331.420 1.757 0 40 EDAB CCO[C@]1(C(=O)NCc2nccn2CCc2ccccc2)CCOC1 585088676 NAFZXOMSJOQWSS-LJQANCHMSA-N 343.427 1.938 0 40 EDAB O=C(NCC1(O)CSCCSC1)[C@@H]1COc2ccccc2O1 1889004012 LTYFKJIUQCOXBD-ZDUSSCGKSA-N 341.454 1.154 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(Br)cc2)C1 96408563 CJOHAAPVVUSJDW-NSHDSACASA-N 347.234 1.213 0 40 EDAB O=C(O)[C@H](NS(=O)(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCO1 1615178041 XFGZSKZBHBAVHC-XJFOESAGSA-N 325.386 1.094 0 40 EDAB Cc1ccccc1C(=O)N[C@H](C(=O)O[C@H](C)C(=O)NC1CC1)C(C)C 5233725 WVXRNKDQHOBOBQ-CJNGLKHVSA-N 346.427 1.960 0 40 EDAB CCN1C(=O)c2cccc3c(S(=O)(=O)NCCOC)ccc1c23 11691625 UHDYLRKNMURMQY-UHFFFAOYSA-N 334.397 1.745 0 40 EDAB Cn1c(=O)c(=O)n(C)c2cc(NC(=O)c3cccc(F)c3)ccc21 13364380 FDZVMIUHSBROBB-UHFFFAOYSA-N 327.315 1.629 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2cn(C)nc2C)c1 14249911 ZRLBXCVCYNJQIQ-UHFFFAOYSA-N 339.417 1.566 0 40 EDAB CCNC(=O)NC(=O)COC(=O)/C=C/c1ccc(OC)cc1OC 3485754 HSJDVZONIGHXHB-SOFGYWHQSA-N 336.344 1.106 0 40 EDAB Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCCN(CC(N)=O)C2)n1 643551168 ZHPFYVZPMMGMAU-GFCCVEGCSA-N 346.460 1.958 0 40 EDAB O=C(COCc1ccccc1)NCC1CCN([C@H]2CCOC2)CC1 575608904 WHAPMMQEZILUII-SFHVURJKSA-N 332.444 1.820 0 40 EDAB Cn1ncc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1C(F)(F)F 590310748 KFCGQOQATNMYED-UHFFFAOYSA-N 336.277 2.476 0 40 EDAB O=C(CN1C(=O)CCC1=O)Nc1nc2cc3c(cc2s1)OCCO3 4348649 VDCHAWDYKOITEV-UHFFFAOYSA-N 347.352 1.155 0 40 EDAB CCN=c1nc(N2CCN(c3ccnc(C(C)C)n3)CC2)cc(C)[nH]1 1889103545 KNMUZFIBEAUIMW-UHFFFAOYSA-N 341.463 1.879 0 40 EDAB O=C1[C@@H]2CN(c3nccn4nccc34)C[C@@H]2C(=O)N1c1ccccc1 1889186343 AOLLZJABLRAEND-OKILXGFUSA-N 333.351 1.355 0 40 EDAB CCn1cc(C(=O)N2CCO[C@]3(CCCCN(C)C3=O)C2)c(C)n1 2037985703 SQVLMIAJNYJXLL-QGZVFWFLSA-N 334.420 1.065 0 40 EDAB Cn1nnc2c1CCN(C[C@H](O)c1ccc(Br)cc1)C2 70503664 BKUYIHCLYZEXOD-AWEZNQCLSA-N 337.221 1.669 0 40 EDAB OC1(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)CCCC1 2087120857 MDRRDRVLLXHUMF-UHFFFAOYSA-N 330.354 1.923 0 40 EDAB COc1ccc(N2C[C@@H](NC(=O)NCCCOC(C)C)CC2=O)cc1 4479567 PILGKQJRVRVUPR-AWEZNQCLSA-N 349.431 1.915 0 40 EDAB NC(=O)[C@@H](NC(=O)c1cccc2ccccc12)c1nnc(CF)o1 28405884 ZCQSJPVFVBGFFC-CYBMUJFWSA-N 328.303 1.649 0 40 EDAB 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COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCNC(=O)C2)cc1 51379689 MYEUOCYKSLLZKS-KRWDZBQOSA-N 345.443 1.571 0 40 EDAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1ccccc1O 32071265 YHBBYKCLOYZZSO-UHFFFAOYSA-N 346.408 1.515 0 40 EDAB COCCN1C(=O)C[C@@H](N2CCN(c3cccc(C)c3C)CC2)C1=O 102616023 QOMHWEDUYSUCHY-QGZVFWFLSA-N 345.443 1.199 0 40 EDAB Cc1nn(CC(=O)N2CCO[C@H]3CCC[C@@H]32)c(=O)c2ccccc12 53372389 LEDSULFTHHLACO-HOTGVXAUSA-N 327.384 1.485 0 40 EDAB CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1ncc(C)s1 24364106 ZQQDLUHRVLRFMI-SECBINFHSA-N 337.492 1.451 0 40 EDAB NS(=O)(=O)c1ccc(N2CCC[C@@H](CO)C2)c(C(F)(F)F)c1 78543207 LNNNTDFFGSXAHT-SECBINFHSA-N 338.351 1.562 0 40 EDAB NC(=O)c1ccc(NC(=O)c2cc(-n3cccn3)ccn2)c(F)c1 78992021 BXJORVBOXQCQEE-UHFFFAOYSA-N 325.303 1.758 0 40 EDAB COC(=O)c1c(C)cccc1NC(=O)c1nc2nccc(C)n2n1 8922121 ABEZRLXOUIPGPU-UHFFFAOYSA-N 325.328 1.780 0 40 EDAB CC(C)[C@@H](C)NC(=O)COC(=O)CCN1C(=O)COc2ccccc21 7223674 PISFNSLJIVQPMS-CYBMUJFWSA-N 348.399 1.506 0 40 EDAB COCCn1ccc(=O)c(OCC(=O)Nc2cccc(OC)c2)c1C 61720232 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CCOC(=O)[C@@H]1[C@H](c2ccncc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 57531323 FKPLBPDNSVBQER-OUJBWJOFSA-N 347.293 1.208 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NCCN1CCC(C)CC1 48275147 RBRNKTIUKGBLFO-UHFFFAOYSA-N 346.474 1.545 0 40 EDAB C[C@@H]1CCCN(Cc2csc(NC(=O)[C@@H]3CCC(=O)NC3)n2)C1 48276148 WDQQZAGCHADAOG-VXGBXAGGSA-N 336.461 1.840 0 40 EDAB O=C(c1ccoc1)N1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 27585028 ZKPPUXQPRCMEMX-INIZCTEOSA-N 348.374 1.616 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)NCCc3ccccc3)cc12 58265429 NNGKPCHNNKESOA-UHFFFAOYSA-N 330.413 1.798 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2cnn(C)c2)c(Cl)c1 58267403 QGMDXTUMNYSTHI-UHFFFAOYSA-N 343.792 1.339 0 40 EDAB CC1CCN([C@H](C)CNC(=O)COc2ccc(C(N)=O)cc2)CC1 58289928 PATDZGKVQILLJC-CQSZACIVSA-N 333.432 1.401 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCOc2cccc(F)c2)o1 27721285 WCPQBBXTWIAUMJ-UHFFFAOYSA-N 342.348 1.136 0 40 EDAB CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)N2CCOCC2)cn1 44968586 GOGZHQMSGZGTFY-OAHLLOKOSA-N 349.479 1.448 0 40 EDAB CN1C[C@@H](C(=O)NCc2cccnc2OCC(F)(F)F)CC1=O 44912838 LLOHURWCOBXASU-JTQLQIEISA-N 331.294 1.117 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 101664503 QIJPXSCIVDPSBO-QEJZJMRPSA-N 330.384 1.969 0 40 EDAB COCCN1CN=C(Nc2nc(C)c3cc(C)c(C)cc3n2)NC1 20634286 MQZCWIKIBJADFU-UHFFFAOYSA-N 328.420 1.790 0 40 EDAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2nncn2C)cc1 54479666 DFLMDHQGZJNTDP-LLVKDONJSA-N 330.392 1.665 0 40 EDAB O=C(Cn1cc(NC(=O)C2=Cc3ccccc3OC2)cn1)NC1CC1 58536151 BGCXEMMWEDQNAO-UHFFFAOYSA-N 338.367 1.576 0 40 EDAB CCCc1nnc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)s1 72281039 INQJNQRTDHWKQV-UHFFFAOYSA-N 346.460 1.890 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)s2)o1 29028527 LKGYJQCKZXMXPK-UHFFFAOYSA-N 342.402 1.511 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)NC1CCN(c2ncccn2)CC1 45711106 PKTPUJCPNUBCAY-CQSZACIVSA-N 333.436 1.513 0 40 EDAB Cn1c(=O)c2c(C(=O)O)cc(-c3ccc(F)cc3)nc2n(C)c1=O 11567432 CNXSIQXVCSFOAS-UHFFFAOYSA-N 329.287 1.137 0 40 EDAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nc(N)cc(N)n1 3425800 RKDJUVNFVJUQJY-NSHDSACASA-N 331.445 1.871 0 40 EDAB C[C@@H]1COCCN1C(=O)NCc1ccnc(OCC(F)(F)F)c1 45935937 UAKDAOVEFDKOQY-SNVBAGLBSA-N 333.310 1.953 0 40 EDAB Cn1cc(-c2cc(C(F)(F)F)nc(-n3ccc(C(=O)O)n3)n2)cn1 2554333 MRKWPEPDFHFYQF-UHFFFAOYSA-N 338.249 1.780 0 40 EDAB COc1cccc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cc(C)on2)c1 46140538 CEWWOGKCIMZORN-NSHDSACASA-N 338.385 1.934 0 40 EDAB CC(=O)Nc1ccc(OC[C@H](O)CN(C)Cc2cc(C)on2)cc1 29729393 UJRPWFITPGYPPR-MRXNPFEDSA-N 333.388 1.813 0 40 EDAB CC(C)c1cc(C(=O)O)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1 8938401 OEMWCYJCBWVNAY-UHFFFAOYSA-N 339.351 1.955 0 40 EDAB CONC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 8919881 PMDBIRHYSDVFKP-UHFFFAOYSA-N 332.381 1.729 0 40 EDAB C[C@H](NC(=O)NCc1ccccc1Cn1cncn1)[C@H]1CCCO1 48914723 MELCLXPYTLJPAJ-XJKSGUPXSA-N 329.404 1.693 0 40 EDAB COC(=O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C)C=C[C@H]3O2)ccc1Cl 4156679 FCBUFYFFWZMHFV-ZFRZLUBXSA-N 347.754 1.960 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccn(-c3ccccc3)n2)C[C@@H](C)O1 65402624 KCKGYFRXWSBKPC-GASCZTMLSA-N 328.416 1.711 0 40 EDAB C[C@H](Sc1nnnn1C(C)(C)C)C(=O)NC(=O)NC1CCCC1 14093638 WSKBNIDQFXGMFV-VIFPVBQESA-N 340.453 1.677 0 40 EDAB CC[C@@]1(C)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2)C1=O 14201330 HSXLSTAMSOYZRY-XHDPSFHLSA-N 326.780 1.800 0 40 EDAB CC(C)NC(=O)NC(=O)CSc1nc2ccsc2c(=O)n1C 9388713 JNIVPIBPLUJSSY-UHFFFAOYSA-N 340.430 1.321 0 40 EDAB Cn1c(=O)c2c(-c3ccccc3Cl)n(CCO)cc2n(C)c1=O 6811141 CSIHLZDHOXYWQR-UHFFFAOYSA-N 333.775 1.351 0 40 EDAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCc1ccnn1C 97143195 BIPUXHMLSVNWOQ-YJBOKZPZSA-N 341.459 1.782 0 40 EDAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(-n2cncn2)cc1 15566046 HJGRKMHIMUQDLO-UHFFFAOYSA-N 332.327 1.495 0 40 EDAB CNS(=O)(=O)CC(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C 83609250 LIQCNDDPIXZNMK-GWCFXTLKSA-N 346.836 1.178 0 40 EDAB C[C@@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccc2c(c1)CCCC2 7459203 JZSDLCALQUNGLO-CQSZACIVSA-N 343.471 1.940 0 40 EDAB COc1ccc(CC2(CO)CCN(c3cc(N)ncn3)CC2)cc1 67982343 UFKHEFKSVJSOEK-UHFFFAOYSA-N 328.416 1.889 0 40 EDAB CCO[C@H](C(=O)N1CCC(N2CCNC2=O)CC1)c1ccccc1 71825498 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40 EDAB COCCN1CCC(CNC(=O)c2ccccc2-n2cccn2)CC1 89414458 TUFWZWMEGLGDIL-UHFFFAOYSA-N 342.443 1.961 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)[nH]n1 89568617 WBKLAECIKQYUNW-IRXDYDNUSA-N 326.400 1.444 0 40 EDAB O=C([C@@H]1CCCN1C(=O)NCC(F)(F)F)N1CCSCC1 75139312 SXLUHCKSZLJJLI-VIFPVBQESA-N 325.356 1.298 0 40 EDAB COC(=O)c1ccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)nn1 89643848 WGLXCGCIWMNFBD-LSDHHAIUSA-N 342.399 1.311 0 40 EDAB O=C(c1c[nH]c(=O)c(Br)c1)N1CCO[C@@H]2CCCC[C@H]21 89762049 JYLIVDLAUJDNFM-VXGBXAGGSA-N 341.205 1.921 0 40 EDAB O=C(COCC(=O)N[C@@H]1CCCc2occc21)NCc1cccnc1 89794023 XBIIEANZNWDMLK-OAHLLOKOSA-N 343.383 1.501 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C3OCCO3)O2)cc1 409276845 XARPODGKCZQSBQ-KYZVSKTDSA-N 327.336 1.181 0 40 EDAB CN1N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 170621068 HZVOWVGSMXQICA-HRCADAONSA-N 329.400 1.570 0 40 EDAB CN(C(=O)CS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C1CC1 67488139 WWAMTRJVPKIFMI-UHFFFAOYSA-N 345.804 1.506 0 40 EDAB CCNC(=O)Cc1ccc(NC(=O)CCNC(=O)c2ccoc2)cc1 25132729 CRCALORYIWSMOU-UHFFFAOYSA-N 343.383 1.717 0 40 EDAB CCC(=O)Nc1cc(S(=O)(=O)NCCCOC)ccc1OC 408698499 QIGGKLZMYLBYHX-UHFFFAOYSA-N 330.406 1.359 0 40 EDAB O=C(O)/C=C\C(=O)Nc1cc(NC(=O)/C=C/C(=O)O)ccc1Cl 31628668 HSDNLYWHXUATJJ-UZNMPDEFSA-N 338.703 1.499 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccccn3)C[C@@H]1C2 306132113 KYTAAROAQZKJSM-KBPBESRZSA-N 340.431 1.116 0 40 EDAB C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccco3)cn2)CCO1 188603798 GBLBBUCVXYVBDK-GFCCVEGCSA-N 337.401 1.378 0 40 EDAB O=C(O)c1cccc(CCNS(=O)(=O)Cc2ccccc2F)n1 542859918 UUAYIGOTFLCPJL-UHFFFAOYSA-N 338.360 1.581 0 40 EDAB Cc1nsc(N2CCN(C(=O)[C@@H]3COc4ccccc43)CC2)n1 74023030 NQKRRQMADHTWNQ-CYBMUJFWSA-N 330.413 1.671 0 40 EDAB Cn1cnc(S(=O)(=O)Nc2ccccc2OCCn2cccn2)c1 72392107 NJXNJSRNBGOACK-UHFFFAOYSA-N 347.400 1.496 0 40 EDAB Cc1nc(CCC(=O)NCc2cccnc2)cc([C@@H]2CCCN2)n1 72366958 HMWPHYNILFEJBI-INIZCTEOSA-N 325.416 1.854 0 40 EDAB Cc1cc(Nc2nccs2)nc([C@H]2CCCCN2CC(N)=O)n1 72383575 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MBXHLOLMNKXLJZ-KGLIPLIRSA-N 335.408 1.470 0 40 EDAB Cc1nc(-c2ccncc2)nc(N2CCCS(=O)(=O)CC2)c1C 96413743 CTKAQTZLCDBOLN-UHFFFAOYSA-N 332.429 1.780 0 40 EDAB CC(C)c1nc(NC(=O)CCc2nc(-c3ccncc3)no2)n[nH]1 96231862 ULMGRMGAGOTMBV-UHFFFAOYSA-N 327.348 1.944 0 40 EDAB Cc1csc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccno3)C2)n1 96206232 DMGCEHUBOKIWOK-WBMJQRKESA-N 348.428 1.318 0 40 EDAB CN(C)[C@@H]1CCCN(c2nc3ccccc3nc2N2CCOCC2)C1 95449369 ZOXBIUZPRRPZMU-OAHLLOKOSA-N 341.459 1.997 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CN(CC2CCC2)C[C@H]2OCC[C@H]21 96041175 CZLQUUCVROWPGO-OKZBNKHCSA-N 329.444 1.835 0 40 EDAB Cc1cnc(C(=O)N2CC[C@]3(C[C@H](Oc4ncccn4)CO3)C2)cn1 96072562 KLGIIQJMYXSEKP-GUYCJALGSA-N 341.371 1.028 0 40 EDAB O=C(O)[C@H]1CN(C2CCOCC2)Cc2ncn(CC3CCOCC3)c21 96196772 BDJRCLUGLDVQNJ-HNNXBMFYSA-N 349.431 1.473 0 40 EDAB Cc1oncc1C(=O)N1CCC2(CC1)NC(=O)C[C@@H]2c1cccnc1 96069717 QOKPXVGAFOPWGI-OAHLLOKOSA-N 340.383 1.657 0 40 EDAB C[C@@H]1CC[C@H](CO)CN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 96501237 VTWXALPWPFKQCE-ZJUUUORDSA-N 338.351 1.882 0 40 EDAB O=C(C[C@@H]1CO[C@@H]2CN(c3ncccn3)C[C@H]12)NCc1ccco1 96218935 XHDUJXILEYMORR-BPLDGKMQSA-N 328.372 1.227 0 40 EDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1CCN1CCCCC1 96068803 VLORHSPAIRSRJE-QGZVFWFLSA-N 333.480 1.720 0 40 EDAB CN1CCN(C[C@H]2CN(Cc3ccncc3)Cc3nccn3C2)CC1 96188532 CIJCKZSLMIYDCY-SFHVURJKSA-N 340.475 1.158 0 40 EDAB CN1CCN(C(=O)c2nn(C)c3c2CN(CC2CCCCC2)C3)CC1 96187567 PHRPDHZSRNMQPZ-UHFFFAOYSA-N 345.491 1.704 0 40 EDAB O=C(Cc1cccs1)N1C[C@@H]2OCCN(C[C@H]3CCCO3)[C@@H]2C1 96246488 SLYIHXLODGLIEW-BMFZPTHFSA-N 336.457 1.381 0 40 EDAB CCS(=O)(=O)N1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 96046585 ANMIVZIMWGYVFI-UHFFFAOYSA-N 337.445 1.359 0 40 EDAB CN(C)C(=O)N[C@@H]1CCc2c(ccc(=O)n2CC2CCOCC2)C1 96067689 QVFFSPUSRPVYET-OAHLLOKOSA-N 333.432 1.403 0 40 EDAB O=C(Cc1ccccn1)N1CCC2(CC1)CN(CC1CC1)C(=O)CO2 96201404 PEOLRPWIDSKWDG-UHFFFAOYSA-N 343.427 1.254 0 40 EDAB O=C(O)[C@H]1CN(C(=O)CCOc2ccc(F)cc2Cl)CCO1 583650652 YXZLNIRHHZHFFJ-GFCCVEGCSA-N 331.727 1.560 0 40 EDAB Cn1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)nn1 96103629 PCJZGRNGGWYXBW-UHFFFAOYSA-N 325.372 1.362 0 40 EDAB O=C(CN1CCOC[C@@H]1[C@H]1CCC[C@H]1O)N(C1CCCC1)C1CC1 583619684 GQXBZMFYEKBIBB-KZNAEPCWSA-N 336.476 1.782 0 40 EDAB O=C(COC[C@@]12CCO[C@@H]1CCN(c1ncccn1)C2)N1CCCC1 96219298 NURYXDHZLLOTFD-QAPCUYQASA-N 346.431 1.101 0 40 EDAB O=C(Cc1ccccn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 96041690 XCCDFPPSUHVMPY-YQVWRLOYSA-N 339.395 1.857 0 40 EDAB COc1ncccc1CN1CCn2cc(CC(=O)N(C)C)nc2[C@H]1C 247945726 BABZJXJHJSOZFD-CYBMUJFWSA-N 343.431 1.494 0 40 EDAB O=C(Cc1ccco1)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 247804937 ADRXGOPTAFUBBF-CQSZACIVSA-N 342.399 1.732 0 40 EDAB CSCC[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1nn[nH]n1 585127925 MVSIWIFUGHNOCN-ZETCQYMHSA-N 349.313 1.980 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@@H](CO)c2ccccc2)C1 585101447 QRZYNBOMZXFFPO-IRXDYDNUSA-N 330.428 1.527 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)CCn2ccnc2)C1 257245969 IRXOTVYPJNCABF-AWEZNQCLSA-N 328.420 1.586 0 40 EDAB Nc1cccc([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257223804 DYYDGFQVVLQGHC-NSHDSACASA-N 325.415 1.488 0 40 EDAB Cc1nc(-c2ccnn2C)cc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257254256 KCIUKUUTMCWCEV-LBPRGKRZSA-N 335.433 1.325 0 40 EDAB Cc1ncccc1C(=O)N(C)C[C@@]1(O)CCCN(c2ccccn2)C1 257319575 VTBZTIUKCPXNEA-IBGZPJMESA-N 340.427 1.889 0 40 EDAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O)[C@@H](C)C2 253369512 DJFZIANNGRFNJA-IYVPYFHTSA-N 330.428 1.620 0 40 EDAB COc1nc(OC)nc(N2CCN(C(C)=O)[C@@H](c3ccccc3)C2)n1 257280486 OLBNHZIGUYTKIJ-CQSZACIVSA-N 343.387 1.299 0 40 EDAB O=C(NC[C@H]1CCOC1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 41367028 MYFPPJUAUCRERM-CZUORRHYSA-N 328.412 1.681 0 40 EDAB O=C(CN1C(=O)Cc2ccccc21)N[C@H](CCO)c1cccs1 1615557455 GDIZJYLWLACYDS-CYBMUJFWSA-N 330.409 1.877 0 40 EDAB N[C@@H]1CC12CC(NC(=O)c1cccn3ncc(Br)c13)C2 1615544646 AMVGOMGCSVQNPN-IYXOAMITSA-N 335.205 1.706 0 40 EDAB O=C(Cc1cccc(Br)c1)N1C[C@H](CO)C[C@@H]1CO 1615604914 FXRBFHGGHVPPDG-DGCLKSJQSA-N 328.206 1.193 0 40 EDAB Cc1ncccc1O[C@H]1CCN(C(=O)/C=C/c2cnc[nH]2)CC[C@@H]1O 585292218 ZALPDQTTWBKQMP-SBXOADHZSA-N 342.399 1.557 0 40 EDAB COC(=O)c1[nH]c2ccccc2c1CN1CCN(C(=O)OC)CC1 585136671 PCDQVHCTGXLMND-UHFFFAOYSA-N 331.372 1.839 0 40 EDAB COC(=O)c1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)c(O)n1 585140463 FNNPGDKYHHQRDO-UHFFFAOYSA-N 340.361 1.152 0 40 EDAB O=C(COc1ccccc1C(F)(F)F)N1CC[C@H](c2nn[nH]n2)C1 1548768655 OZCRGSMEVRKPHX-VIFPVBQESA-N 341.293 1.613 0 40 EDAB CN(C)[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)C1CCCCC1 46948900 UBFJCUQJXDUVIP-HNNXBMFYSA-N 345.447 1.123 0 40 EDAB CC(C)(C)c1ccc(N2CCN(c3ncnc4n[nH]cc34)CC2)nn1 1776009884 WTKGBXBUVOQERF-UHFFFAOYSA-N 338.419 1.767 0 40 EDAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCc2nnc(N(C)C)cc2C1 75129136 BSLKDJOBUVAOFO-HIFRSBDPSA-N 348.447 1.402 0 40 EDAB CCc1nc2n(n1)C[C@@H](NC[C@@H](O)c1ccc3c(c1)OCCO3)CC2 75131399 KSCMCCNSLMJXKU-UONOGXRCSA-N 344.415 1.250 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCCNc3ncccn3)C2)n1 75602728 VCOSIWBWXOWWFW-HNNXBMFYSA-N 343.435 1.741 0 40 EDAB COCCN1C(=O)CO[C@H]2CCN(Cc3ncccc3C)CC[C@@H]21 1615526812 VEZSALNXBSMUKP-IRXDYDNUSA-N 333.432 1.228 0 40 EDAB CC(C)=CC(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 11583148 OFELNRRPIVWKLI-UHFFFAOYSA-N 334.328 1.615 0 40 EDAB Cc1cc2c(cc3c(=O)n(CC(=O)NC4CCC4)nc(C)n32)s1 12115378 GKJNLJIXBLEMOJ-UHFFFAOYSA-N 330.413 1.996 0 40 EDAB Cc1nc2ccccc2c2nn(CC(=O)NCc3ccco3)c(=O)n12 12144975 AOCLAKMFQSCWEX-UHFFFAOYSA-N 337.339 1.262 0 40 EDAB Cc1ccn(CCNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)n1 12199181 UKKMLNXVSITGRD-UHFFFAOYSA-N 334.763 1.569 0 40 EDAB Nc1c(C(=O)NC[C@H]2CCCO2)sc(=S)n1C[C@@H]1CCCO1 13547224 LVYCBQHQKPNMQR-ZJUUUORDSA-N 343.474 1.949 0 40 EDAB COc1ccc([C@]2(C)NC(=O)N(Cc3cc(C)no3)C2=O)cc1OC 14199906 CZRMKDCIKNABGP-KRWDZBQOSA-N 345.355 1.967 0 40 EDAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2N[C@H]3CCCC[C@@H]3NC2=O)cc1 17071854 WSNLIHQOCSPKGG-JYJNAYRXSA-N 344.415 1.373 0 40 EDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 18241133 CNBMMEAGFDKVER-ZIAGYGMSSA-N 345.326 1.503 0 40 EDAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1C(=O)c1ccc(F)cc1 19286330 DWLJEICUASVENO-UONOGXRCSA-N 327.359 1.989 0 40 EDAB O=C1N[C@]2(CCCN(C(=O)CCn3ccnc3)C2)Nc2ccccc21 12087591 OINGRBWMOKFRRL-SFHVURJKSA-N 339.399 1.447 0 40 EDAB Cc1cc(N2CCC(CNS(=O)(=O)c3cnn(C)c3)CC2)ccn1 240068144 SJXKFMAAVOUREY-UHFFFAOYSA-N 349.460 1.318 0 40 EDAB CS(=O)(=O)Nc1cccc(C(=O)O[C@H](C(N)=O)c2ccccc2)c1 10123678 PJPKYAIYNBVLRS-AWEZNQCLSA-N 348.380 1.442 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2cc(-c3ccccc3)on2)n(C)c1=O 7064862 BIVMHHDUBREDRD-UHFFFAOYSA-N 337.339 1.137 0 40 EDAB C[C@@H](OC(=O)Cn1cnnn1)C(=O)Nc1ccc(Cl)cc1Cl 7036322 CLRZXQSNWWLXAY-SSDOTTSWSA-N 344.158 1.550 0 40 EDAB Cc1nc(C(F)F)cc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)n1 1888854172 DTAHOTZRKNZBFS-UHFFFAOYSA-N 349.385 1.744 0 40 EDAB O=C([C@H]1CN(c2cnc3ccccc3n2)CCO1)N1CCSCC1 1888916383 JGQWDPPGQMBABJ-OAHLLOKOSA-N 344.440 1.410 0 40 EDAB Cn1ncc2c(N3CCC(COc4cnccn4)CC3)ncnc21 1889139477 NKRFADPNCVHESC-UHFFFAOYSA-N 325.376 1.449 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1 24995861 RENGVEZFOUOZOD-UHFFFAOYSA-N 339.413 1.210 0 40 EDAB COc1cncc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)c1 543769994 CWMNBLUEFIJXIO-UHFFFAOYSA-N 336.369 1.366 0 40 EDAB CC1CC(C(=O)N2C[C@H]3CCN(C(=O)c4cnccn4)C[C@@H]3C2)C1 1565547591 LUGQQYCLASVHRE-HXSCFSKGSA-N 328.416 1.443 0 40 EDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)CCc3ccc[nH]3)CC[C@H]21 1565549840 GCMPSACBOIFMNM-MSOLQXFVSA-N 348.491 1.201 0 40 EDAB CCOC(=O)N[C@@](Nc1nccs1)(C(=O)OC)C(F)(F)F 4770021 IVXVNDKZBKDPOE-VIFPVBQESA-N 327.284 1.733 0 40 EDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(F)cc1 4940635 ZUNUFQHFMNJLRO-UHFFFAOYSA-N 348.355 1.999 0 40 EDAB O=C(C1CCN(c2nccn3nccc23)CC1)N1CCSCC1 2298192883 MCFGXRDAYFGULP-UHFFFAOYSA-N 331.445 1.521 0 40 EDAB O=C(NCC[C@H](O)c1cccs1)C(=O)NCc1ccc(F)cc1 77115397 XGHLSKKYIOYIHH-ZDUSSCGKSA-N 336.388 1.743 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3sccc3C2)o1 40086843 NDLRMARTBYUDRR-UHFFFAOYSA-N 340.426 1.790 0 40 EDAB O=C(Nc1nnc(C(F)(F)F)[nH]1)[C@H]1CC(=O)N(Cc2ccco2)C1 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EDAB CC(C)(CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 32817284 BNUREALNCNSUTJ-AWEZNQCLSA-N 338.473 1.752 0 40 EDAB CCOC(=O)/C=C/c1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)cc1 32912527 PSBHPJMVNKPJPV-FFAUQURTSA-N 349.408 1.413 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CC[C@H]1c1ccccc1 32927661 FYPGQNKWIBIMRT-ZDUSSCGKSA-N 335.385 1.722 0 40 EDAB Cc1cccc([C@H](CNC(=O)c2ccc(=O)[nH]c2)N2CCOCC2)c1 41427688 DOWPOVDJWAYHCP-KRWDZBQOSA-N 341.411 1.487 0 40 EDAB O=C(/C=c1/[nH]c(=O)/c(=C/c2cccc(Cl)c2)s1)c1ccncc1 103018470 ZDFRWFUGLAKKPN-VULZFCBJSA-N 342.807 1.977 0 40 EDAB CCn1c(=O)n(CC(=O)NCc2cn3ccccc3n2)c2ccccc21 22024455 FNGVLEBYKOQDKF-UHFFFAOYSA-N 349.394 1.787 0 40 EDAB CCOn1c(=O)c(-c2ccc(OC)c(OC)c2)[n+]([O-])c2ccccc21 536272 JFNWQCMWKSJBEF-UHFFFAOYSA-N 342.351 1.768 0 40 EDAB Cc1occc1C(=O)N[C@H](C)c1ccc(-n2cc(C(N)=O)nn2)cc1 53130995 RDDQZEDOCHMGNE-SNVBAGLBSA-N 339.355 1.759 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2ncccn2)C1 1329857 JPBHRSXZQYVMAT-CQSZACIVSA-N 340.383 1.738 0 40 EDAB 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CO[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 108366269 OXJLTLGXCROPSE-KCPJHIHWSA-N 326.824 1.863 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CN(Cc2ccccc2)CCO1 72294649 APOPXUQZADLRDQ-SJORKVTESA-N 340.427 1.215 0 40 EDAB O[C@@H](COCc1cccs1)CN1CCN(c2ccccn2)CC1 12659717 RKSBSTHWXUXRAW-OAHLLOKOSA-N 333.457 1.843 0 40 EDAB O=C(NCCN1CCCCCC1=O)Nc1ccc(-n2cncn2)nc1 48132160 WRNRDTRUVVQNAM-UHFFFAOYSA-N 343.391 1.186 0 40 EDAB CC(=O)N1CCC(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1 48155130 WPDJKSGZOABVAS-BBRMVZONSA-N 325.453 1.892 0 40 EDAB CC1CCN(C(=O)CN2C(=O)c3ccccc3CS2(=O)=O)CC1 58292703 FWGHDHXOKQJCQA-UHFFFAOYSA-N 336.413 1.231 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3)CC2)N1 58280494 CAFPGTIOEIDAEM-OLZOCXBDSA-N 347.802 1.644 0 40 EDAB C[C@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1noc(C(C)(C)C)n1 44938721 YMQFSFAVYMFLRK-SNVBAGLBSA-N 343.449 1.729 0 40 EDAB CC[C@H](O)CN(CC(=O)NC1CCN(C(C)=O)CC1)c1ccccc1 58379801 PFFSHQBUIUWLDL-SFHVURJKSA-N 347.459 1.391 0 40 EDAB C[C@H](C(=O)Nc1ccccc1F)N1CCN(C[C@H]2CCCO2)CC1 22777112 HAKZMUVOZKDARQ-HUUCEWRRSA-N 335.423 1.949 0 40 EDAB Cc1cccc(CN2CC3(CCN(S(C)(=O)=O)CC3)CC2=O)n1 108528441 DUJTUIJCNOJUTM-UHFFFAOYSA-N 337.445 1.164 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCO1 28036382 OHNSWEMSYIXKPF-CQSZACIVSA-N 338.429 1.613 0 40 EDAB O=C(COc1ccccc1)NCC(=O)N1CCC(N2CCCC2)CC1 58431981 XJBDEDRTLQVITM-UHFFFAOYSA-N 345.443 1.268 0 40 EDAB CCc1nn(C)cc1CNC(=O)N1CCN(c2ccnc(C)n2)CC1 97376468 LNYLMVOEVCPOQV-UHFFFAOYSA-N 343.435 1.113 0 40 EDAB Cc1ccc(-n2cnnc2S(=O)(=O)[C@H](C)C(=O)N(C)C)c(C)c1 72690099 FOXJHVBUIIHHTF-GFCCVEGCSA-N 336.417 1.135 0 40 EDAB COCCN1CCCC2(CCN(C(=O)c3cccnc3)CC2)C1=O 108529569 QMMOCCIXCIWPGZ-UHFFFAOYSA-N 331.416 1.573 0 40 EDAB C[C@H](c1ccc(F)cc1)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 36448880 HXOITYCSTIDJJO-RISCZKNCSA-N 328.409 1.122 0 40 EDAB NC(=O)CC1CCN(C(=O)NCc2ccnc(N3CCCC3)c2)CC1 48300407 NVZYAAJGZRYSQL-UHFFFAOYSA-N 345.447 1.479 0 40 EDAB Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc1C 26521964 DAPUVFPTPFWKCD-UHFFFAOYSA-N 338.454 1.985 0 40 EDAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 29192677 DYOLADRZVGUUFH-OAHLLOKOSA-N 349.456 1.490 0 40 EDAB CS(=O)(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 68602906 RSBYMNUBMZVGEH-UHFFFAOYSA-N 344.392 1.484 0 40 EDAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O)cc1 46071155 PDEXAYVKKNONFU-UHFFFAOYSA-N 348.380 1.456 0 40 EDAB Cc1n[nH]c(-c2ccc(S(=O)(=O)N3CCN(C)CC3)s2)c1C 37008944 KIMZEPAWTMABHE-UHFFFAOYSA-N 340.474 1.691 0 40 EDAB C[C@@H]1CCCN([C@H](C)CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 60555603 IGQPYCPIIVWCDP-MGPQQGTHSA-N 348.534 1.143 0 40 EDAB Cn1ccnc1-c1cccc(NC(=O)NCCCN2CCOCC2)c1 72290941 IHWXCROZHNHGQT-UHFFFAOYSA-N 343.431 1.931 0 40 EDAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)CCn2cncn2)cc1 48912755 VXMRXXBFBQBGGR-ZDUSSCGKSA-N 329.404 1.513 0 40 EDAB COc1ccccc1/C=c1/sc2nc(-c3ccncc3)nn2c1=O 13147368 AQKFJXXGNABIGO-GXDHUFHOSA-N 336.376 1.769 0 40 EDAB Cn1nccc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 63538005 QOOAJIYQTUFZAZ-UHFFFAOYSA-N 332.791 1.672 0 40 EDAB NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2Cl)C1 97147089 JVCJSHPVWUIHPM-VIFPVBQESA-N 334.800 1.755 0 40 EDAB COC[C@H](O)CN(C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 65435095 SYYTUNYFBYWJNT-XJKSGUPXSA-N 332.404 1.582 0 40 EDAB C[C@@H](O)CN(CCNS(=O)(=O)c1ccccc1)c1ccccc1 65497662 YBVRYUGBZIYRSY-OAHLLOKOSA-N 334.441 1.852 0 40 EDAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)Nc1cnn(CC(N)=O)c1 65422915 QUCZWYBKQFFKCD-JTQLQIEISA-N 335.795 1.775 0 40 EDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCN(C)C2CC2)CC1=O 65447211 HCRMMRNMSJYYJO-ZBFHGGJFSA-N 329.444 1.807 0 40 EDAB CC(C)OCC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 65473037 XKRKYOBVMPCFEO-UHFFFAOYSA-N 343.431 1.281 0 40 EDAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CC(n2cncn2)C1 65475261 YOCGXGJBDNACGN-UHFFFAOYSA-N 340.362 1.917 0 40 EDAB CN(CCN1CCOCC1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 65550690 JJZKTQCXQYBIOG-GOSISDBHSA-N 348.443 1.649 0 40 EDAB CNC(=O)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 5359139 PJOVUUDCEALADL-UHFFFAOYSA-N 337.430 1.889 0 40 EDAB COC(=O)C[C@H]1NC(=O)N(CN(C)Cc2ccc(C(C)C)cc2)C1=O 14139320 FBQRQYIPUGISDJ-OAHLLOKOSA-N 347.415 1.683 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCOc2ccc(Cl)cc2)C[C@H](C)O1 14197825 DEQZACPTSPSXPL-RYUDHWBXSA-N 348.852 1.662 0 40 EDAB Cn1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cn1 65609236 BZDPWDWZJBRTKI-CYBMUJFWSA-N 342.355 1.392 0 40 EDAB C[C@@H](CC(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1)C1CC1 65604766 ROHLPONPYDHEAK-ZDUSSCGKSA-N 341.415 1.969 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(OC)cc2)c1 14226803 ZQOMITWLEMOGII-UHFFFAOYSA-N 348.424 1.576 0 40 EDAB Cc1ccc(OCCN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1 72300711 XYOVAHFLZYLPCT-RDTXWAMCSA-N 331.416 1.684 0 40 EDAB COCCN(C)CCNC(=O)N1CCO[C@@H](c2ccccc2F)C1 67421263 SHCWBAFBCPOEPG-MRXNPFEDSA-N 339.411 1.487 0 40 EDAB CC(=O)Nc1cc(C(=O)CSc2nc3ncccn3n2)ccc1O 9497628 HOZYOFGXRXXTAD-UHFFFAOYSA-N 343.368 1.763 0 40 EDAB Cn1cc(C[C@H]2CCN(S(=O)(=O)c3c[nH]c4ncccc34)C2)cn1 80784219 AGLFZXIFLNXGCI-GFCCVEGCSA-N 345.428 1.550 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@H]2CCO)nn1-c1ccc(F)cc1 96495217 PWXQWTAURMXYCG-OAHLLOKOSA-N 333.363 1.543 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)CCCOc3cccc(F)c3)CC2)N1 71819814 LWVRROTZSICNTH-UHFFFAOYSA-N 349.362 1.185 0 40 EDAB O=C(NCc1nnc2ccccn12)c1cccc(N2C(=O)CCC2=O)c1 8393955 GUNZNJGDBQZNMR-UHFFFAOYSA-N 349.350 1.313 0 40 EDAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)on1 17052965 BVPCLJAWNGXYQJ-UHFFFAOYSA-N 335.385 1.130 0 40 EDAB O=S1(=O)N=C(CN2CCO[C@@H]3CCCC[C@@H]32)Nc2ccccc21 69489839 YUGYUQGLWXXALT-UONOGXRCSA-N 335.429 1.843 0 40 EDAB CCOc1cccc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1 71908942 VVLWDIMIDVPAMI-QGZVFWFLSA-N 347.459 1.222 0 40 EDAB NC(=O)c1ccn(-c2ccccc2NC(=O)[C@H]2Cc3ccccc3O2)n1 71905544 BTOTUMAEVLHNBE-QGZVFWFLSA-N 348.362 1.913 0 40 EDAB C[C@@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1Cc1nccn1C 69571438 FCCOVXWIHLNBCN-CQSZACIVSA-N 345.491 1.231 0 40 EDAB Cc1ccc(NC(=O)NC(=O)CNC(C)(C)C(=O)N(C)C)c(C)c1 69737239 GRMGTZDEEWHXKE-UHFFFAOYSA-N 334.420 1.408 0 40 EDAB C[C@H](NC(=O)CN[C@@H]1CCc2ncnn2C1)c1cc2ccccc2o1 69740477 NLCNNRBDCHIWKL-GXTWGEPZSA-N 339.399 1.806 0 40 EDAB Cc1nn(CC(C)C)c(N(C)C)c1CNC[C@H]1CCS(=O)(=O)C1 69709860 WWVXASCYWGQAJX-CQSZACIVSA-N 342.509 1.438 0 40 EDAB C[C@@H](C(=O)N(C[C@@H]1CN(C)CCO1)c1nccs1)n1cccn1 95402115 XQWNCVHYTZUIJU-STQMWFEESA-N 335.433 1.264 0 40 EDAB Cn1cccc1C(=O)NC(=O)CSc1nncn1Cc1ccco1 8726888 KRXDWGOUALCAAB-UHFFFAOYSA-N 345.384 1.307 0 40 EDAB CCCCS(=O)(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 73135006 KZXRILOVCQKVFZ-JTQLQIEISA-N 332.447 1.215 0 40 EDAB C[C@@H](C(=O)N1CCO[C@@]2(CCc3ccccc32)C1)N1CCN(C)CC1 95435603 WIRYVSAEBUFLFB-JXFKEZNVSA-N 343.471 1.323 0 40 EDAB CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CCN3CCCC[C@H]23)c1CC 95436861 XVTUCIRITJBNJS-HZPDHXFCSA-N 347.463 1.321 0 40 EDAB C[C@@H](NCC(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(Cl)c1 95984593 PQFZGZMVSUUFEN-ZYHUDNBSSA-N 341.814 1.854 0 40 EDAB COC(=O)[C@@H](C)CS(=O)(=O)Nc1ccc(F)c(NC(C)=O)c1 75094411 BKPQEYVLJVFIMU-QMMMGPOBSA-N 332.353 1.335 0 40 EDAB Cn1nc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)ccc1=O 75092615 YRFKPGOBFKKXMH-UHFFFAOYSA-N 332.270 1.096 0 40 EDAB CC(=O)N1CCC(NC(=O)NC[C@H](C)Cn2nc(C)cc2C)CC1 89594050 SOZADPKMYOMCGJ-LBPRGKRZSA-N 335.452 1.446 0 40 EDAB Cc1nc2ccccc2c(=O)n1CCCC(=O)N1CCN(C)C[C@H]1C 89729926 CHZVZWLGOROHQS-CQSZACIVSA-N 342.443 1.648 0 40 EDAB CCOc1c(Cl)cc(CNC(=O)[C@@H]2CNC(=O)N2)cc1OC 89988740 WYNWALKWBBGKOT-JTQLQIEISA-N 327.768 1.045 0 40 EDAB C[C@@H](CNC(=O)C1CCN(c2ccc(Cl)cn2)CC1)C(=O)O 89900624 OKBIWSQGUIQFEL-JTQLQIEISA-N 325.796 1.788 0 40 EDAB CCOc1ccccc1NC(=O)CCc1c(C)[nH]c(=O)n(C)c1=O 23142088 IXHQJGRMKARSMY-UHFFFAOYSA-N 331.372 1.352 0 40 EDAB CCC[C@H](C)NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408705841 OLQHOTKVCIEOLE-ZDUSSCGKSA-N 342.461 1.762 0 40 EDAB NC(=O)c1cn(CC(=O)N[C@H]2CCn3ccnc3C2)c2ccccc12 547983536 ORUDZNMRVVRXLN-LBPRGKRZSA-N 337.383 1.068 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306125635 CWNPMFRBFCHQLL-CQSZACIVSA-N 340.445 1.680 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@H](CN(C)CC(=O)O)C2)c(Cl)c1 514672250 IVHLEGIGUAJNGH-GFCCVEGCSA-N 340.807 1.506 0 40 EDAB COC(=O)C1(NS(=O)(=O)c2ccccc2OC)CCCCC1 55415521 LJVMODCWFSVHAT-UHFFFAOYSA-N 327.402 1.849 0 40 EDAB CC(C)[C@@H]1CN(C(=O)N[C@H](C)CN2CCN(C)CC2)CCS1 74134062 GWWVTCNMXVUKKX-CABCVRRESA-N 328.526 1.405 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 35898144 PTQYCZUBYRLQBS-NOVUVYDPSA-N 331.412 1.973 0 40 EDAB CCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 39985832 AHYPGEBRGCTCCJ-ZDUSSCGKSA-N 342.461 1.914 0 40 EDAB CC1(C)CN(C(=O)NCCc2cnccn2)C[C@@H](C(F)(F)F)O1 555567118 CVEBIZOSUPAIBK-NSHDSACASA-N 332.326 1.770 0 40 EDAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(N(C)C)c2)C1 78721205 FNKOLOLWLUUXEQ-HOCLYGCPSA-N 347.459 1.756 0 40 EDAB CS(=O)(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 36352848 ISBASGPHASJSAO-UHFFFAOYSA-N 332.429 1.780 0 40 EDAB Cc1cc(CNS(=O)(=O)c2ccc(C)c(C)c2)nc(N(C)C)n1 188282532 UAXYFJYKHYJTCB-UHFFFAOYSA-N 334.445 1.946 0 40 EDAB O=C(N[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C(=O)O)C2)C1)OCc1ccccc1 1574592382 WSLKGQPECQOBNI-JNCCQOAMSA-N 346.383 1.671 0 40 EDAB CCOc1ncccc1C(=O)N1CCCC[C@H]1c1cc(C(N)=O)[nH]n1 225556340 SFGGKBXIAHNFSD-AWEZNQCLSA-N 343.387 1.670 0 40 EDAB Cn1nc2c(cc1=O)C[C@H](NC(=O)c1cc(Cl)ccc1F)CC2 225788761 DMQFNBJDISOZKN-LLVKDONJSA-N 335.766 1.860 0 40 EDAB NC(=O)c1ccccc1NC(=O)CSc1ncnc2nc[nH]c12 40227662 LMVZEYWIVBWTJN-UHFFFAOYSA-N 328.357 1.183 0 40 EDAB C[C@@]12CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 575964708 ASWFANLGXCKTGY-RMRKRWHISA-N 332.425 1.618 0 40 EDAB O=c1[nH]c(CN2CCN(c3ncccc3F)CC2)nc2ccccc12 84483231 PKIPWACXWBHDHO-UHFFFAOYSA-N 339.374 1.779 0 40 EDAB Cc1cc(C(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)no1 225634294 RSWQDIXXYIKRND-ZDUSSCGKSA-N 329.312 1.433 0 40 EDAB CCO[C@H](C)c1nc(CN2CCN(C(=O)c3cc[nH]n3)CC2)cs1 80804588 MTHQWKCQFUIQLV-GFCCVEGCSA-N 349.460 1.922 0 40 EDAB Cc1noc([C@H]2CN(Cc3nnc(C4CC4)n3C3CC3)CCN2C)n1 577083691 CZEARWPWLCDDQR-CQSZACIVSA-N 343.435 1.671 0 40 EDAB Cn1cc([C@H](CO)NC(=O)c2cnn(C)c2Cc2ccccc2)cn1 578599884 WDDWDJJLNFDPGE-INIZCTEOSA-N 339.399 1.208 0 40 EDAB CCc1nncn1CCNC(=O)N1CCO[C@](C)(c2ccccc2)C1 96470004 DADNXQDIZGKILL-SFHVURJKSA-N 343.431 1.798 0 40 EDAB C[C@H]1CCCN1C1CCN(C(=O)CN(C)[C@@H]2CCSC2)CC1 96487014 RKRWISZLPPQKMZ-GOEBONIOSA-N 325.522 1.899 0 40 EDAB CN1C[C@H](NC(=O)c2cnc3c(c2)ncn3C)CC[C@@H]1C(F)(F)F 583620058 QBCZFBPBJJUXSG-ZYHUDNBSSA-N 341.337 1.723 0 40 EDAB Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)c3ccoc3)C[C@H]21 96054362 CDHROWFCCPKPEO-CVEARBPZSA-N 331.372 1.610 0 40 EDAB CC(C)c1nnc2n1C[C@@H](NC(=O)[C@H]1COc3ccccc3O1)CC2 97199158 SHWRVBZDKFCZKE-SWLSCSKDSA-N 342.399 1.673 0 40 EDAB CC(C)N1C[C@@H](C(=O)O)CN2CCN(Cc3nccs3)C[C@@H]2C1 96064131 NZQQKDQPAIRPSZ-UONOGXRCSA-N 338.477 1.054 0 40 EDAB CN(C)CC(=O)N1C[C@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@H]2C1 96183074 NPHDCNGQYQHHCM-BPQIPLTHSA-N 330.476 1.702 0 40 EDAB O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95474481 NSYRHJYMPACGJG-CYBMUJFWSA-N 349.394 1.670 0 40 EDAB Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1CN(S(C)(=O)=O)C[C@H]21 96263828 FGJMGQGRFQOZLT-YPMHNXCESA-N 335.404 1.757 0 40 EDAB CC(C)n1cc(S(=O)(=O)NC[C@@H]2COc3ccccc3C2)cn1 96427645 YDNHVZFETIWLGY-CYBMUJFWSA-N 335.429 1.994 0 40 EDAB CN(C)CCOCc1nnn2c1CN(Cc1ccccn1)CCC2 96058829 ZJIUEJCKFHKMFL-UHFFFAOYSA-N 330.436 1.157 0 40 EDAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(C(=O)O)n(C)n3)ccc2O1 585086351 HRRCPZXIJDIJMI-MRVPVSSYSA-N 337.357 1.243 0 40 EDAB Cc1nc(C(=O)NC[C@H]2C[C@@H](C(=O)OC(C)(C)C)C[C@H]2O)c(C)o1 585087821 UVDUYCWHVQCXRM-JHJVBQTASA-N 338.404 1.750 0 40 EDAB CN(CCN1CCCC[C@@H]1CS(N)(=O)=O)Cc1ccccc1 585133476 JFEVJAXUMAVPQK-MRXNPFEDSA-N 325.478 1.261 0 40 EDAB CC(C)n1cc(S(=O)(=O)Nc2ccnc(S(C)(=O)=O)c2)cn1 585128676 JYHGBAJTLOIULU-UHFFFAOYSA-N 344.418 1.063 0 40 EDAB O=C(N[C@@H]1CN2CCOC[C@H]2[C@@H]1OCc1ccccn1)c1ccoc1 247516110 VPHQQXGRENCZRL-IXDOHACOSA-N 343.383 1.073 0 40 EDAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)Cn2cc(C)cn2)nc1 257240873 HVNHBHPOKTXSJO-KRWDZBQOSA-N 341.415 1.586 0 40 EDAB C[C@H]1CN(CC(=O)NCc2cccc(NC(=O)C3CC3)c2)C[C@@H](C)O1 25412254 IQOHRFIWCZWZNT-OKILXGFUSA-N 345.443 1.761 0 40 EDAB Cc1cccnc1C(=O)N[C@@H]1C[C@H]2Oc3ccccc3N[C@H]2[C@@H]1O 257319597 VTFHMGKIDWANSG-ODVANORSSA-N 325.368 1.495 0 40 EDAB Cc1cccc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)n1 257317506 VJZMAIDPRYAGTE-GOSISDBHSA-N 341.415 1.284 0 40 EDAB O=C(COc1ccc(F)cc1)N1CCOC[C@@H](Cc2ccncn2)C1 257305422 SPYGUCTXULKJOP-AWEZNQCLSA-N 345.374 1.712 0 40 EDAB Cc1ccccc1C(C)(C)CNC(=O)Nc1cnn(CC(N)=O)c1 69493960 UKFKPGGIGLAYJC-UHFFFAOYSA-N 329.404 1.776 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3nccn3CC(F)(F)F)CCO2)c1 69452085 OMKGCCZFCMTAES-ZDUSSCGKSA-N 343.353 1.851 0 40 EDAB Cc1cccnc1N(C)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 253420442 JQIAYHUBPQIPLM-DLBZAZTESA-N 339.395 1.951 0 40 EDAB CCOC1(C(=O)NS(=O)(=O)N(C)c2ccccc2)CCCC1 252484362 FUUKWCZHDPEKSL-UHFFFAOYSA-N 326.418 1.833 0 40 EDAB CN(CC(=O)N[C@H]1CCCN(c2ccccn2)C1)Cc1cccnc1 257338526 YXVGYOIGMKTBNB-KRWDZBQOSA-N 339.443 1.694 0 40 EDAB O=C(CCc1ccccc1F)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257316779 VGYVDBFEOKQUHQ-JFIYKMOQSA-N 336.407 1.099 0 40 EDAB C[C@@H]1C[C@@H](C)CN(Cc2nnc(CN3C[C@H](C)C[C@@H](C)C3)n2N)C1 260574421 YHKVRFMVWLJGQI-KLHDSHLOSA-N 334.512 1.948 0 40 EDAB Cc1cc(CNC(=O)[C@H](C)c2ncccn2)nc(N2CCCC2)n1 1614608472 VDPLIQFDPRROKN-CYBMUJFWSA-N 326.404 1.595 0 40 EDAB O=C(c1ccnc(-c2ccccc2)n1)N1CCN([C@@H]2CCOC2)CC1 1615590822 QFCKSNSWBIABLE-MRXNPFEDSA-N 338.411 1.690 0 40 EDAB CN(C)CCN(Cc1cccnc1)C(=O)N[C@H]1CC12CCNCC2 1615557478 LFCVEJULVZPKEL-INIZCTEOSA-N 331.464 1.297 0 40 EDAB CCC(=O)N1CCC[C@H](n2nncc2I)C1 1616038109 HCSNBEFMINBSFM-QMMMGPOBSA-N 334.161 1.456 0 40 EDAB O=S(=O)(C[C@H]1CCCN1S(=O)(=O)C1CC1)c1ccccc1 96025537 CDUCHCZVOKQDJJ-GFCCVEGCSA-N 329.443 1.417 0 40 EDAB CN1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 585102839 KITFODNCTAEYGT-DOEOUOAPSA-N 334.460 1.086 0 40 EDAB Cc1ccccc1C(=O)N1C[C@H]2OC[C@H](C(=O)N3CCCCO3)[C@H]2C1 585108365 ATTMAGLYYXJPSM-IXDOHACOSA-N 344.411 1.636 0 40 EDAB CCOC(=O)[C@]12CCCN(C(=O)c3ccnn3C)C[C@H]1CN(CC)C2 585108197 QKZIEXGZBYZHKN-KDOFPFPSSA-N 348.447 1.157 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)c2c[nH]nc2C)CCO1 585277872 YRINZSCZXJTHCX-GOSISDBHSA-N 329.400 1.473 0 40 EDAB CC(=O)N1CCC(N2CCOC[C@@](O)(COc3ccccc3)C2)CC1 585269142 KLKXZKFERSNXTM-LJQANCHMSA-N 348.443 1.140 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)Nc2cnc3ccccc3c2)CC1 65400973 NRSMIOONOAFIID-UHFFFAOYSA-N 334.401 1.344 0 40 EDAB O=C(CN[C@H]1CCCN(c2cccnn2)C1)NCCc1cccs1 69951896 CVMCYMJUMFTSBU-AWEZNQCLSA-N 345.472 1.455 0 40 EDAB CCN(CC)c1ccc(C(=O)N2CCN(C(=O)NC(C)C)CC2)cn1 69370224 SXQJLIAXWMKWST-UHFFFAOYSA-N 347.463 1.804 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)CN2CSCC2=O)n1 72279928 CGVDMOITPZFESR-CQSZACIVSA-N 336.461 1.414 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cn1 50530666 ONCATEXEQHMVLB-UHFFFAOYSA-N 348.384 1.081 0 40 EDAB CSCC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 53743534 KTSGAZSZALFEAQ-UHFFFAOYSA-N 339.436 1.344 0 40 EDAB Cn1ccc(CN2CCO[C@@H](c3nc(C(C)(C)C)n[nH]3)C2)cc1=O 76049958 BHCDOEXEBJDLAZ-CYBMUJFWSA-N 331.420 1.374 0 40 EDAB CN(CC(=O)N1CCOCC1)Cc1ccc(Br)c(F)c1 83862058 OGKFRMZFOMCXCK-UHFFFAOYSA-N 345.212 1.879 0 40 EDAB CS(=O)(=O)[C@@H]1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1 96098122 DJTKAWMHBYSHEC-MHCOZEDOSA-N 326.462 1.784 0 40 EDAB CCOc1ccc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1OCC 96365077 HSHKCUWGMAFOMB-CYBMUJFWSA-N 341.429 1.743 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)cc1 585114693 RZXRJZQCGAFSPK-JKSUJKDBSA-N 338.473 1.773 0 40 EDAB COc1cc(OC(=O)/C=C2\CCC(=O)O2)c2c(c1)O[C@H]1OC(=O)C[C@@H]21 5028994 NKWCOGPKSZIFFC-SZPVIFNESA-N 346.291 1.571 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2nccnc2N)cc1 5040405 UKFSAEYGHAJCHK-JTQLQIEISA-N 328.328 1.445 0 40 EDAB O=C(O)c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 13035213 AALSZUWSDIOTJS-UHFFFAOYSA-N 344.161 1.385 0 40 EDAB CC(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 17128569 JPNUOCQPJZXNNP-CYBMUJFWSA-N 342.436 1.999 0 40 EDAB Cc1cnc(C(=O)N[C@@H](C)Cn2nc(-c3cccs3)oc2=O)cn1 19239006 RZQFYBHJMUIFHL-JTQLQIEISA-N 345.384 1.482 0 40 EDAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC[C@H](n2ccnn2)C1 206927435 ZOFQMGHNENXCFE-AWEZNQCLSA-N 340.362 1.905 0 40 EDAB COc1cccc(C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1 4504425 DSMKUUCWOSCXSK-AWEZNQCLSA-N 325.430 1.981 0 40 EDAB Cc1ncsc1C(=O)NCc1nc(N(C)C)nc(N2CCCC2)n1 575608436 YFMBTJDJYZFXDX-UHFFFAOYSA-N 347.448 1.233 0 40 EDAB COC(=O)CC[C@@H](C(=O)OC)N1Cc2c(cccc2[N+](=O)[O-])C1=O 35839949 RBMYJAZPAMNDAW-LBPRGKRZSA-N 336.300 1.045 0 40 EDAB Cc1noc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)n1 1888888320 IVBIUFBUAZJQPZ-ZIAGYGMSSA-N 348.428 1.131 0 40 EDAB CC(C)OC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 14251471 PHZGNPQEQIQWJP-UHFFFAOYSA-N 344.408 1.084 0 40 EDAB O=C(NCCc1ccccc1)NCc1nc(-c2ccnc(O)c2)no1 238821668 CUFLCQSCNRRGSP-UHFFFAOYSA-N 339.355 1.879 0 40 EDAB O=C(CN1CCOC1=O)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 238919178 SUXQAOIMIMCKQL-KGLIPLIRSA-N 342.355 1.231 0 40 EDAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)c1cc[nH]n1)CC2 1146835301 RIYLINHDPOPZOH-ZDUSSCGKSA-N 334.420 1.147 0 40 EDAB O=C(CCc1ccc[nH]1)N1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 1565549990 LVDHDIMDZWVAJF-GVDBMIGSSA-N 345.443 1.433 0 40 EDAB CCCCc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1 4337910 BYZDDGMMCJNTBA-UHFFFAOYSA-N 347.444 1.734 0 40 EDAB CCc1ccc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)N3CCOCC3)C2)cn1 2055815377 DBLHLTKCGNLMBO-VQIMIIECSA-N 343.427 1.355 0 40 EDAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1nc(CCc2ccccc2)n[nH]1 18211580 DQHOZROFUZRKCF-XRGAULLZSA-N 334.379 1.901 0 40 EDAB Cc1noc(CN2CCN(c3cc(N4CCCC4)ncn3)CC2)n1 302881145 HUOXZFNTFNOFOQ-UHFFFAOYSA-N 329.408 1.090 0 40 EDAB O=C(Cn1cnc2ccccc21)N1CCC[C@@H](Oc2ccncn2)C1 575610774 YPNLJWGGDWUKOK-CQSZACIVSA-N 337.383 1.896 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CC(OCC(F)(F)F)C2)c1 585365537 HEZWEKORLGURPO-UHFFFAOYSA-N 337.319 1.841 0 40 EDAB CN(C)c1ccc(NC(=O)C(=O)NCC[C@@H](O)c2cccs2)cc1 77115470 UYXFXYZLABMVHV-CQSZACIVSA-N 347.440 1.993 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H]2NC(=O)c3ccc(C(=O)O)cc3[C@@H]2C1 97758994 XVULRVLHAAESPW-QWHCGFSZSA-N 332.356 1.831 0 40 EDAB C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccccc1 16410810 YKBWHMXRDRLOET-DGCLKSJQSA-N 333.417 1.971 0 40 EDAB O=C(NCCOc1ccc(F)cc1)C1CCN(C(=O)C2CC2)CC1 30481330 JRTMPSZVRPGBSM-UHFFFAOYSA-N 334.391 1.969 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCO3)cc1 40474132 KQQNIQYJLCJTHX-UHFFFAOYSA-N 348.380 1.035 0 40 EDAB CCc1nn2c(=O)cc(CN3CCC(C(=O)N(C)C)CC3)nc2s1 40466152 BIMJZSRCRLNMQA-UHFFFAOYSA-N 349.460 1.014 0 40 EDAB Nc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1 153787 ASTQOBAZJPJQGV-UHFFFAOYSA-N 325.229 1.859 0 40 EDAB O=C(NCCN1CCOCC1)c1ccc(OCC(F)(F)F)cc1 20444736 ROLSEFDLVCVMSI-UHFFFAOYSA-N 332.322 1.690 0 40 EDAB NC(=O)c1cc(-c2csc(NC(=O)COCC(F)(F)F)n2)c[nH]1 40535483 DIDHJHWOSMKQOC-UHFFFAOYSA-N 348.306 1.755 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 52051401 WDLHJGAUHNIESX-MRXNPFEDSA-N 336.457 1.600 0 40 EDAB O=C(COc1ccc(F)cc1)N1CCN(Cc2ccncc2)CC1 32623738 RHRXTTDXKSCNLK-UHFFFAOYSA-N 329.375 1.944 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cc1 32765514 POAYTQGFHQRDEH-HZSPNIEDSA-N 332.400 1.684 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795031 DQMXXDRHJPJWOK-WBVHZDCISA-N 328.412 1.823 0 40 EDAB O=C1COc2cc(C(=O)N3CCN(CC(F)(F)F)CC3)ccc2N1 32893636 OIXOEHPGBQHRJP-UHFFFAOYSA-N 343.305 1.338 0 40 EDAB CC(C)c1cc(C(=O)NCCNS(C)(=O)=O)c(O)c(C(C)C)c1 32914449 HDEVSDRAGBFRJR-UHFFFAOYSA-N 342.461 1.918 0 40 EDAB Cc1cc(Br)oc1C(=O)NCC1(C(N)=O)CCOCC1 52745233 DOOMHKSCIMZASS-UHFFFAOYSA-N 345.193 1.362 0 40 EDAB COc1ccc(NCC(=O)N2CCOCC2)cc1Br 78469325 RJWNYLWKWULTCD-UHFFFAOYSA-N 329.194 1.728 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)NC[C@@H]3CCOC3)C2)c1 69876497 NPHPYHXJPGSNRR-CABCVRRESA-N 333.432 1.857 0 40 EDAB NC(=O)c1ccccc1NC(=O)CC1(C(=O)O)Cc2ccccc2C1 78733087 USQIMXOANAXFPJ-UHFFFAOYSA-N 338.363 1.984 0 40 EDAB C[C@@H](OC1CCCC1)C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 78901531 XBOUVPGWRDVGLS-VXGBXAGGSA-N 334.420 1.562 0 40 EDAB O=C(/C=c1/[nH]c(=O)/c(=C\c2ccc(O)c(Cl)c2)s1)c1ccco1 103671100 CUEDWQOKPQUTHW-GOBHWCIESA-N 347.779 1.881 0 40 EDAB COCCCNC(=O)CCc1nc(-c2ccc(OC)c(OC)c2)no1 2440721 KKFKXWKDDXWIFF-UHFFFAOYSA-N 349.387 1.839 0 40 EDAB C[C@@H](NC(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1)C1CC1 69842543 MATIPMXXKQONGQ-QAPCUYQASA-N 331.460 1.252 0 40 EDAB O=C1N[C@@]2(CCOC2)C(=O)N1Cc1csc(Br)c1 104317312 UYFMEMLVIAOBIX-LLVKDONJSA-N 331.191 1.722 0 40 EDAB CC(C)C(=O)N1CCN(Cc2nnnn2Cc2ccccc2)CC1 54116629 ASCHHJVRXBRYEP-UHFFFAOYSA-N 328.420 1.022 0 40 EDAB CN(C)[C@H](CNC(=O)Cn1ncc2ccccc2c1=O)c1ccco1 23187135 FQAMKBLATBSMLS-OAHLLOKOSA-N 340.383 1.409 0 40 EDAB COC(=O)CCNC(=O)c1ccc(NC(=O)NCc2ccoc2)cc1 47830167 NBQAVQMTMKCFIX-UHFFFAOYSA-N 345.355 1.894 0 40 EDAB CN(C)Cc1ccc(CNC(=O)c2ccc(CNC(N)=O)cc2)cc1 23962275 VYQYMBGTMQXXJD-UHFFFAOYSA-N 340.427 1.847 0 40 EDAB CCn1c(SCC(=O)Nc2nc[nH]n2)nnc1-c1ccncc1 19851921 CXSTXNKWXREPRS-UHFFFAOYSA-N 330.377 1.209 0 40 EDAB Cc1nc(CSCCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cs1 24448051 ACWRCHBOWUFMHN-ZDUSSCGKSA-N 348.515 1.768 0 40 EDAB Cc1csc(=O)n1CC(=O)NCc1cccnc1-n1cccn1 24590038 FYRIKTOHFVUGEQ-UHFFFAOYSA-N 329.385 1.115 0 40 EDAB O=C1c2ccccc2C(=O)N1CCc1csc(Cn2cncn2)n1 1385080 CVSHNXRNXBMXIC-UHFFFAOYSA-N 339.380 1.622 0 40 EDAB Cn1ccc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCCO4)n1 101337916 UFYFINQMSMGYBV-FOCLMDBBSA-N 330.369 1.486 0 40 EDAB CC(=O)Nc1nc(C(=O)NCc2ccnc(-n3cccn3)c2)cs1 25123387 CNDNFENCTJCESA-UHFFFAOYSA-N 342.384 1.612 0 40 EDAB CN(Cc1ccsc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O 24960627 HBYZYTCXIZHNDE-ZDUSSCGKSA-N 330.409 1.837 0 40 EDAB Cn1cc(NC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)cn1 25309685 RXLVUAVBTGJXJP-KBPBESRZSA-N 348.403 1.341 0 40 EDAB Cc1cc(=O)n2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c2[nH]1 57508926 TYJWYCFAZORLCC-UHFFFAOYSA-N 326.312 1.355 0 40 EDAB O=C(NC[C@H]1CCCO1)NC[C@H](c1cccs1)N1CCOCC1 48234377 PXLRHHIFJMHGEZ-ZIAGYGMSSA-N 339.461 1.600 0 40 EDAB CN1C(=O)C(=NNc2ccccc2Br)C(=O)N(C)C1=O 109751397 OAQGYGXGQDZUCW-UHFFFAOYSA-N 339.149 1.267 0 40 EDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@@H](C2)N3Cc2cccnc2)n1 100737744 WNOAIRTXJHSVBA-IRXDYDNUSA-N 340.427 1.505 0 40 EDAB CCOc1ccccc1N1C(=O)C(=O)N(CCN2CCCC2=O)C1=O 58185330 YCFKOPNJWDYAJO-UHFFFAOYSA-N 345.355 1.003 0 40 EDAB CCCCSCC(=O)NCc1ccc(N2CCN(C)CC2)nc1 58175480 CKAKTRCSLGRBSQ-UHFFFAOYSA-N 336.505 1.983 0 40 EDAB COc1ccc([C@@H](NCC(=O)NC(N)=O)c2ccc(C)cc2)cc1 58168808 SMYQZZXJQREZBP-KRWDZBQOSA-N 327.384 1.878 0 40 EDAB COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1OC 101128753 IYAZKECBAROYGG-SDADXPQNSA-N 329.352 1.185 0 40 EDAB CC[C@@H](C)[C@](C)(O)CNC(=O)c1cnc2sc(C)c(C)n2c1=O 96492914 ZXNZWKITRLYNAK-JDNHERCYSA-N 337.445 1.900 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c1C 58244030 CQQZRGOYGQIVEH-CYBMUJFWSA-N 349.431 1.795 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@@H]1COc2ccccc2O1 27767623 GRCGCVSMIROJFJ-SNVBAGLBSA-N 341.323 1.394 0 40 EDAB COc1cccc(C[C@H](C(=O)NC[C@H]2CCCO2)n2nnnc2C)c1 44948783 DQYGBGQOLRHHOT-HZPDHXFCSA-N 345.403 1.069 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCCCNC1=O)c1ccc2c(c1)OCCCO2 44968089 BPZJLZMPCCGCBW-JSGCOSHPSA-N 347.415 1.877 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N[C@@H](C)[C@@H]3CCCO3)cnc12 27883675 OYOLGJSIJCLZDK-ZFWWWQNUSA-N 329.400 1.779 0 40 EDAB CCOc1ncccc1C(=O)NCCC(=O)Nc1ccc(C)cn1 58323664 NICUSHVDEQEOAR-UHFFFAOYSA-N 328.372 1.942 0 40 EDAB CCCN1CCCN(C(=O)Nc2ccc(-n3cncn3)nc2)CC1 58328256 DDGQJGCACUVTEP-UHFFFAOYSA-N 329.408 1.612 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)c1cccc(N2CCCS2(=O)=O)c1 45449383 YQZZKDQKMBMCCT-QWHCGFSZSA-N 338.429 1.476 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)NCCc1ccccc1F 2436716 FAQOTFWYVFKIKU-ZDUSSCGKSA-N 328.409 1.962 0 40 EDAB Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 2457582 XTIVLDCTMLJBEZ-UHFFFAOYSA-N 345.424 1.416 0 40 EDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCCCNC1=O 45666160 PJKLNILAXJXBHG-CQSZACIVSA-N 347.415 1.658 0 40 EDAB O=C(CN(Cc1ccco1)C1CC1)N1CCN(c2cnccn2)CC1 45748885 FVBMYFJLLOKQPC-UHFFFAOYSA-N 341.415 1.383 0 40 EDAB CCC1=C(C(=O)OC)[C@H](c2ccc(OC)c(OC)c2)n2nnnc2N1 45895962 JLSGOONLWAYCEB-AWEZNQCLSA-N 345.359 1.542 0 40 EDAB Cc1ccc2cc(C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)[nH]c2c1 29201524 RQJILXQVYQWDQY-ZDUSSCGKSA-N 335.429 1.630 0 40 EDAB NC(=O)[C@@H]1CC(C(=O)NCc2cccs2)=NN1c1ccc(F)cc1 29281518 DSUSVAJFMSXNAE-AWEZNQCLSA-N 346.387 1.624 0 40 EDAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1oc(CO)cc(=O)c1O 11690694 BHWROKWLHJGNGF-CYBMUJFWSA-N 334.280 1.115 0 40 EDAB biogenic COc1ccc(CNC(=O)[C@@H]2CCC(=O)N2)cc1OC1CCCC1 69978518 NJIMVMNLPLVUAK-AWEZNQCLSA-N 332.400 1.911 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)o1 69951076 KZJVNMSSMBCQMU-CQSZACIVSA-N 330.388 1.725 0 40 EDAB CC(C)C(=O)NCCNC(=O)NCc1cccc(NC(=O)C2CC2)c1 12984848 BIANQZYTZUJVNH-UHFFFAOYSA-N 346.431 1.607 0 40 EDAB O=C(O)CCc1ccc(S(=O)(=O)NCCN2CCCC2)cc1 13093527 YTUXXWHXLNHRHR-UHFFFAOYSA-N 326.418 1.078 0 40 EDAB CCNC(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1 8779986 CEOSHCRBXDFZQP-UHFFFAOYSA-N 347.444 1.332 0 40 EDAB CC(=O)Nc1cccc(C(=O)NC[C@H](O)COc2ccc(F)cc2)c1 63805582 FRSICVAOQQXKLE-INIZCTEOSA-N 346.358 1.954 0 40 EDAB C[C@H](OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C(N)=O 6028328 KTTQNSALIYMOAF-LBPRGKRZSA-N 326.352 1.500 0 40 EDAB CN1C(=O)N[C@H](c2ccc(F)cc2)C2=C1CN(C[C@@H]1CCCO1)C2=O 4345045 LIZJXKMNTBDKDQ-XJKSGUPXSA-N 345.374 1.797 0 40 EDAB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cnn(CC(N)=O)c1 65414197 PTRHJDBGIDZADB-JTQLQIEISA-N 335.795 1.775 0 40 EDAB CN1CCO[C@@H](CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 65565423 FEHWHZJWSQHBOR-SFHVURJKSA-N 344.455 1.975 0 40 EDAB CC1(C)CC(=O)c2cc(C(=O)NCC[C@@H]3CCCO3)c(=O)[nH]c2C1 65548248 ZUZLLSTWWIIGMP-NSHDSACASA-N 332.400 1.829 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCc1ccoc1 65595293 XVSXGGYMINJBDF-NSHDSACASA-N 337.401 1.830 0 40 EDAB CN(C(=O)COC(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccccc1 65595044 XZHVZKZLQRRDQO-UHFFFAOYSA-N 338.319 1.390 0 40 EDAB CC(C)[C@H](C(=O)N1CCN(Cc2ccncc2)CC1)n1cncn1 65504766 YIXHDJHAAMKKDO-MRXNPFEDSA-N 328.420 1.215 0 40 EDAB CC(=O)NCCNC(=O)NCCCc1cccc(Br)c1 66619113 TZSGAXZVQKNHBM-UHFFFAOYSA-N 342.237 1.817 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)NCCN(C)C)c(Cl)cc12 9134074 IYZZKDRNKRWWDK-UHFFFAOYSA-N 338.791 1.811 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cc1C 6928413 VUIZXFCTJOQBCF-GDBMZVCRSA-N 336.457 1.792 0 40 EDAB O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc2[nH]nnc2c1 71858725 AVHDFCQCDRFGSU-UHFFFAOYSA-N 337.318 1.812 0 40 EDAB C[C@H](Oc1ccc(Br)cc1F)C(=O)N1CCNC1=O 7624158 JOQIYZKMLQKDTD-ZETCQYMHSA-N 331.141 1.907 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(CN2CCCC2=O)cc1 7637354 BAQURPUOBJHSJT-CYBMUJFWSA-N 331.416 1.454 0 40 EDAB COc1c(CNC(=O)c2cc(Br)c[nH]2)c(C)nn1C 96006949 KBKZHWWXKSHMGM-UHFFFAOYSA-N 327.182 1.758 0 40 EDAB COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 96005335 WAEVRNIPXMHBPZ-AWEZNQCLSA-N 332.466 1.076 0 40 EDAB CCCCOCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 7814447 SQSNVJRFRHQGMD-UHFFFAOYSA-N 329.418 1.943 0 40 EDAB CC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 7985529 MUBCPMJNTRHWND-LLVKDONJSA-N 345.442 1.670 0 40 EDAB O=C(OCC(=O)N1CCN(c2ncccn2)CC1)c1cccs1 8066546 GXGSQOUSPQUSIZ-UHFFFAOYSA-N 332.385 1.044 0 40 EDAB NC(=O)CSCC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 91153076 LNUSAGACUCGSBY-RISCZKNCSA-N 346.811 1.644 0 40 EDAB O=C(NCCC1CCN(c2ccncc2)CC1)N1CCC[C@H]1CO 91250465 UQQXJNXIUBZVJI-KRWDZBQOSA-N 332.448 1.854 0 40 EDAB CC(C)NC(=O)CN(C)Cn1nc(C(F)(F)F)n(C)c1=S 8184359 OYGJWHXRQFZYNI-UHFFFAOYSA-N 325.360 1.384 0 40 EDAB CS(=O)(=O)Nc1ccc(Cn2nnc(-c3ccsc3)n2)cc1 71893935 DAYRQFORHNNGDQ-UHFFFAOYSA-N 335.414 1.821 0 40 EDAB C[C@@H](Oc1c(CO)cc(F)cc1CO)c1nnnn1-c1ccccc1 69144582 AXFIVEZLJYZCRC-LLVKDONJSA-N 344.346 1.926 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)C2(c3cccc(C)c3)CC2)CC1 70037330 MALLOEKLXXTUJU-GOSISDBHSA-N 346.471 1.568 0 40 EDAB Cc1nc(CN2CCC[C@H](N(C)Cc3nc(C4CC4)no3)C2)no1 71870515 WNVDXJIMCYOOBY-ZDUSSCGKSA-N 332.408 1.735 0 40 EDAB O=S(=O)(c1ccc(F)cc1F)N1CCC[C@H](C2OCCO2)C1 69351725 HNMUVNJOEZPZQM-JTQLQIEISA-N 333.356 1.738 0 40 EDAB CCn1nc(C)cc1C(=O)NC1CCN(C(=O)c2ccncc2)CC1 69454741 VXPXMPAURXSRBV-UHFFFAOYSA-N 341.415 1.641 0 40 EDAB CN1N=C(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)CCC1=O 69453762 KXFTZKMWTDISRL-UHFFFAOYSA-N 348.447 1.236 0 40 EDAB O=C(NC1CC1)C(=O)N1CCN(CCSc2ccccc2)CC1 69654287 GLMOGSFDQYGOKU-UHFFFAOYSA-N 333.457 1.202 0 40 EDAB CC(=O)N1CCN(C(=O)CCNC(=O)/C=C/c2ccc(F)cc2)CC1 69666481 VPDXTTUNKINFAR-QPJJXVBHSA-N 347.390 1.036 0 40 EDAB C[C@@H](O)CN1CCN(CCOc2ccc(Br)cc2)CC1 69652650 DOTWBLXGXHSYHD-CYBMUJFWSA-N 343.265 1.826 0 40 EDAB CCS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)OC)cc1 69740358 UWKJRJJDPZOMNU-CYBMUJFWSA-N 340.401 1.650 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)N[C@@H](C)[C@H]2CCCO2)ccc1F 69717001 LUMHZDFPPKJBLH-LKFCYVNXSA-N 334.355 1.799 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1ccc(C(=O)NC[C@H]2CCCO2)cc1 17951192 RGUYKULSLJAZCE-IYBDPMFKSA-N 332.400 1.504 0 40 EDAB CCCNC(=O)CN1CCCN(CC(=O)NCCC)c2ccccc21 71912095 UGUFKLPEZDTINF-UHFFFAOYSA-N 346.475 1.756 0 40 EDAB COC(=O)C1(NS(=O)(=O)c2cccc3cccnc23)CCCC1 71909265 IYFIEOINCLDJNQ-UHFFFAOYSA-N 334.397 1.999 0 40 EDAB Cc1ccc(I)c(C(=O)NC(C)(CO)CO)c1 97098025 WZQBAVTWZFDGRN-UHFFFAOYSA-N 349.168 1.073 0 40 EDAB O=C(C1CCN(CC(F)(F)F)CC1)N1CCC[C@@H](n2cncn2)C1 72234889 WYCGJOJKXGKKFH-CYBMUJFWSA-N 345.369 1.716 0 40 EDAB COC(=O)c1cc(OC)ccc1OC(=O)c1cc(C(N)=O)cs1 72271123 BGTRHHLXRIXDER-UHFFFAOYSA-N 335.337 1.861 0 40 EDAB CN(C)CCOC1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 72280932 NRBJQMVLBBCMFO-UHFFFAOYSA-N 349.431 1.668 0 40 EDAB CN(CCOC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)OC(C)(C)C 72273334 UWMYWXCXLSDZJC-LLVKDONJSA-N 329.397 1.187 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 72276219 WGXANOADAWBAAZ-HUUCEWRRSA-N 347.463 1.180 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1nnc(-c3ccco3)o1)CC2 72302259 FHMCESUJEFOTSS-UHFFFAOYSA-N 327.344 1.465 0 40 EDAB Cc1c(CNCCN2CCN(C)C[C@@H]2c2ccccc2)cnn1C 97229828 DBRJHJLHTHFUQX-LJQANCHMSA-N 327.476 1.807 0 40 EDAB CNC(=O)c1cccnc1NCCC(=O)N(C)Cc1ccccc1 95403158 RNDBJNHAJVRJJL-UHFFFAOYSA-N 326.400 1.902 0 40 EDAB O=C1NC(=O)[C@H](CCC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)N1 84372379 KJPODRWJORCEMZ-KGLIPLIRSA-N 333.363 1.347 0 40 EDAB Nc1c([N+](=O)[O-])cc(F)c(N2CCNC(=O)C2)c1Br 95402799 QDMHIXCDIAVQCM-UHFFFAOYSA-N 333.117 1.015 0 40 EDAB CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CCC(=O)N(C)C1 95436935 SHFVEIZFHMKPFA-INIZCTEOSA-N 346.475 1.817 0 40 EDAB CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCc3ccc(F)cc32)C1 95966425 MEIMNWVMJQOFKD-UKRRQHHQSA-N 334.395 1.916 0 40 EDAB CCc1n[nH]c([C@H]2CN(Cc3nc4ccsc4c(=O)[nH]3)CCO2)n1 89289839 YGHXOYUDJXNHQI-SNVBAGLBSA-N 346.416 1.239 0 40 EDAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1nccn2ccnc12 89797774 HTCVJRLVMHXAMU-CYBMUJFWSA-N 339.355 1.243 0 40 EDAB COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1ccnn1C 89741098 ZVEDILOGXQMQIO-ZDUSSCGKSA-N 341.289 1.824 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(CCc2ccc3c(c2)CCO3)CC1 75588265 CEVIUTQDURZSIN-HNNXBMFYSA-N 343.471 1.449 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)CCn3cnc4ccccc43)CCO2)n1 76046698 TVHJEFZQTSZNNT-OAHLLOKOSA-N 340.387 1.453 0 40 EDAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cn(C)nc2C)C1 548345717 RZZMMQHZPYZRHH-INIZCTEOSA-N 333.461 1.731 0 40 EDAB CC[C@H](C)[C@H](CO)NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O 503972285 WSIYPOIJJLVUDP-BONVTDFDSA-N 333.384 1.873 0 40 EDAB biogenic C[C@]1(NC(=O)Nc2ccn(-c3ccccc3)n2)CCS(=O)(=O)C1 128442904 PJLCOKLIUFPSGS-HNNXBMFYSA-N 334.401 1.571 0 40 EDAB C[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)C1 38488282 BARXONUUMPNFDG-WFASDCNBSA-N 329.400 1.776 0 40 EDAB biogenic COc1ccc(CN2C[C@H](C(=O)N3CCO[C@@H](C)C3)CC2=O)cc1 78979270 LXQNCWHWWTYLPJ-DZGCQCFKSA-N 332.400 1.291 0 40 EDAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCN1CCOCC1 30851827 URQGFGNBVSBGJS-AWEZNQCLSA-N 326.824 1.946 0 40 EDAB O=C(CN1CCN(c2ncnc3sccc23)CC1)NC1CCCC1 73957177 RMJCMMDNHLQQRI-UHFFFAOYSA-N 345.472 1.872 0 40 EDAB C[C@@H]1C(c2ccc(F)cc2)=NO[C@@H]1C(=O)NC[C@@H](C)n1cncn1 36741110 YRWTYVLKJWIIKV-HFAKWTLXSA-N 331.351 1.534 0 40 EDAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CO)cc1 218518338 RFIBODUCCUMGBI-OKZBNKHCSA-N 331.437 1.879 0 40 EDAB CSc1ccc(C)c(C(=O)OCCN(C)S(=O)(=O)N(C)C)c1 78715084 PKABPINJEFSJJO-UHFFFAOYSA-N 346.474 1.612 0 40 EDAB O=C(CCn1cncn1)NC[C@@H](O)c1c(Cl)cccc1Cl 77647722 CATGFSCIPUETOS-LLVKDONJSA-N 329.187 1.825 0 40 EDAB CCS(=O)(=O)NCC1CCC(C(=O)NCc2cccnc2)CC1 38488607 ROVNRDUCQOCXRG-UHFFFAOYSA-N 339.461 1.444 0 40 EDAB CC(=O)N1CC(NC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)C1 188140862 YQBGEXGTYWDYDI-SECBINFHSA-N 330.306 1.820 0 40 EDAB COc1ccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)c(OC)c1 217460289 BUSCMEVMRSMUDE-CVGURMSBSA-N 331.324 1.075 0 40 EDAB COC(=O)c1cc(N)ccc1Sc1nnc(C(F)(F)F)n1N 78406615 PVYKXBUNEWGDBA-UHFFFAOYSA-N 333.295 1.531 0 40 EDAB Cc1cc(=O)cc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)[nH]1 72367561 BVEXZBVTQMRXMG-AWEZNQCLSA-N 337.401 1.814 0 40 EDAB CO[C@H]1CN(C(=O)NCc2ccc(-n3cncn3)cc2)CC[C@H]1C 225491065 YZKIZZPTSPGTIB-CJNGLKHVSA-N 329.404 1.834 0 40 EDAB C[C@]1(CNC(=O)NCC2(OCCO)CCOCC2)CCCS1 225745392 CZUBODPVUSKTQX-CQSZACIVSA-N 332.466 1.129 0 40 EDAB CCOc1cccc(S(=O)(=O)N(C)c2ccnc(C(=O)NC)c2)c1 225710288 QSXXERGCPNDYAI-UHFFFAOYSA-N 349.412 1.665 0 40 EDAB O=C(Cc1ccccc1)N1CCN(C(=O)c2cnn3ccccc23)CC1 75170975 SEAINEIRTPNHNR-UHFFFAOYSA-N 348.406 1.861 0 40 EDAB CCN1CCN(C(=O)CCc2nc(-c3cccc(F)c3)no2)CC1 225801258 KKRXLXAWRPVFBB-UHFFFAOYSA-N 332.379 1.972 0 40 EDAB O=C([C@H]1Cc2ccccc2CO1)N1CCC[C@@H](Oc2cnccn2)C1 225474997 GZBBISIRVJWRMT-IAGOWNOFSA-N 339.395 1.988 0 40 EDAB C[C@H]1CCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CCS1 192169615 JQGMUVPSFPHRMQ-IUCAKERBSA-N 327.372 1.590 0 40 EDAB N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)CC2CCCC2)CC1 195542288 BIOOOPSNWYEKEJ-SFHVURJKSA-N 343.471 1.808 0 40 EDAB O=S(=O)(NCc1ccnc(N2CCCCC2)n1)c1ccccc1 224211801 SMVZUIHQDZJVBD-UHFFFAOYSA-N 332.429 1.945 0 40 EDAB CCN1C[C@@H](NC(=O)NCc2ncc(-c3ccccc3)o2)CC1=O 581054390 DCAZPFPJCBHWTI-ZDUSSCGKSA-N 328.372 1.762 0 40 EDAB CC(C)c1ncsc1C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 334105277 IOEIYNWQCJYDGF-QWRGUYRKSA-N 345.490 1.714 0 40 EDAB CS(=O)(=O)NCCNC(=O)c1c(F)cccc1C(F)(F)F 195578169 KJTYAMYQQAZALE-UHFFFAOYSA-N 328.287 1.124 0 40 EDAB O=C(c1ccncc1)N1CCO[C@H]2[C@@H]1CC[C@@H]2CNc1ncccn1 96082566 KXTIJCFUNXUZMD-OWCLPIDISA-N 339.399 1.603 0 40 EDAB O=C(COC[C@@H]1CC[C@H]2[C@H](CCN2c2ncccn2)O1)N1CCCC1 96186105 MFHLWBZPDFHMFW-JYJNAYRXSA-N 346.431 1.242 0 40 EDAB O=C(NC1CC1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 96188056 BQBNOMMYPKVRAR-CYBMUJFWSA-N 327.388 1.661 0 40 EDAB COC(=O)c1ccc(N2CCc3ccccc3[C@H]2CN)nc1OC 576874786 CNSCBPRKLGLCFZ-OAHLLOKOSA-N 327.384 1.939 0 40 EDAB C[C@H](NC(=O)c1nccn1C)c1cc(F)ccc1N1CCN(C)CC1 96421354 QKSXGVWXIGVDLA-ZDUSSCGKSA-N 345.422 1.802 0 40 EDAB COC(=O)[C@](C)(NC(=O)Cc1ccn(-c2ccccc2)n1)C1CC1 96461969 FQUSEBRUYWKMTA-GOSISDBHSA-N 327.384 1.873 0 40 EDAB COc1ccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NC3CCC3)C2)cc1 96253078 JLHIWPILQYBZBR-FGTMMUONSA-N 330.428 1.953 0 40 EDAB Cc1cc(Br)ccc1CC(=O)N1C[C@@H](CO)OC[C@@H]1C 97233843 UKMJJHIYSLSDKB-FZMZJTMJSA-N 342.233 1.908 0 40 EDAB C[C@H](c1nnnn1-c1ccccc1)N1CC[C@H](CN2CCOCC2)C1 96424609 AXSPTXSINIBWFB-HZPDHXFCSA-N 342.447 1.377 0 40 EDAB O=C(C1CC1)N1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244297 FXBSJQJKHFXKMO-IBGZPJMESA-N 336.395 1.949 0 40 EDAB CC(C)C(=O)N1CCN(Cc2ccco2)C[C@@]2(CC(=O)N(C)C2)C1 96036047 DBWBEOKRRFLCES-SFHVURJKSA-N 333.432 1.428 0 40 EDAB O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cccnc2)C1 96041294 IBYRFHCDXAVDRP-ARFHVFGLSA-N 339.399 1.490 0 40 EDAB O=C(c1ncn2c1CNS(=O)(=O)c1ccccc1-2)N1CCCCC1 96147318 NVTOKSJVTSGZGC-UHFFFAOYSA-N 346.412 1.290 0 40 EDAB CN(C)C(=O)N1CC2(CCOCC2)c2cc(NC(=O)CCO)ccc21 96080076 IBRSWUMMNUHNMB-UHFFFAOYSA-N 347.415 1.557 0 40 EDAB CCN1C[C@]2(CC1=O)CN(Cc1cccs1)CCN(C(C)=O)C2 97952774 YHZBIGPWJAAGAE-KRWDZBQOSA-N 335.473 1.651 0 40 EDAB O=C(c1cscn1)N1CCO[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1 96108096 QDNNWJQBJDNHFN-GXFFZTMASA-N 349.391 1.050 0 40 EDAB CCn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)c1ccncn1)C2 96198369 LXENNQPMMOBSKF-OAHLLOKOSA-N 341.415 1.859 0 40 EDAB CN(C)c1cnnc(N2CCN(C(=O)Cc3ccccc3)CC2)c1 96121047 UZNHHKWFLFHPCH-UHFFFAOYSA-N 325.416 1.434 0 40 EDAB CCN1C(=O)[C@H]2[C@H](c3ccc(F)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 95252470 SVWWHCGTDZGGBX-ZOPJHEKZSA-N 334.347 1.023 0 40 EDAB C[C@@H]1CN(Cc2ccsc2)C[C@]12CCN(CC(=O)N(C)C)C2=O 96070302 YIYUKWGJRNNMNB-CXAGYDPISA-N 335.473 1.507 0 40 EDAB CCN(C)S(=O)(=O)N1CC[C@H](C(=O)O)[C@@H]1c1cccc(OC)c1 580624988 CNELXQSOKWCVEI-KBPBESRZSA-N 342.417 1.339 0 40 EDAB Cc1cccc(CN2CCO[C@@]3(CCCN(CC(=O)N(C)C)C3)C2)n1 96226761 IOGUMMJLJXEKKF-LJQANCHMSA-N 346.475 1.145 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](CN2CCOCC2)C1 96428469 JMOWRPJRQURLEK-AWEZNQCLSA-N 342.436 1.477 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCCCn2ccnc2)[C@H]1c1cccs1 96181173 ZQEANEUPWAYVFL-WFASDCNBSA-N 332.429 1.671 0 40 EDAB CCc1ccc([C@H](COC)NS(=O)(=O)[C@H]2CC(=O)N(CC)C2)o1 583651666 QPSPOVYXSGWRTD-STQMWFEESA-N 344.433 1.070 0 40 EDAB CCOC[C@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1cccnc1)C2 248159693 XAMOIPMVVSXSPK-AWEZNQCLSA-N 339.461 1.203 0 40 EDAB O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCC[C@@H](n2cncn2)C1 245571429 ZDXFVLHAXPAFRK-HUUCEWRRSA-N 341.419 1.299 0 40 EDAB COCC(=O)N1CCC(Cc2cnc(N3C(=O)OC[C@H]3C)cn2)CC1 257335772 YLUMCTOXQBAFDW-GFCCVEGCSA-N 348.403 1.249 0 40 EDAB CNC(=O)[C@]1(C)CN(C(=O)Cc2coc3cc(C)ccc23)CCO1 257339422 ZBQUTXDGCLSXPZ-SFHVURJKSA-N 330.384 1.647 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257317158 VIPFMLIXRLXUFE-JFIYKMOQSA-N 334.464 1.453 0 40 EDAB COc1cccc(O[C@H]2CCN(C(=O)C3CCOCC3)CC[C@@H]2O)c1 257240248 HSSREARUTNGVDZ-ROUUACIJSA-N 349.427 1.853 0 40 EDAB C[C@@H]1C[C@@H]1c1noc(CC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)n1 585121510 RGNKBFYGTXNLBN-XBFCOCLRSA-N 346.431 1.500 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)/C=C/C=C(Cl)Cl)CC1 585122407 ZXBGQIQLWMBEEH-ZGTSGANGSA-N 346.258 1.802 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1nnc(O)n1C 585137306 RRCBJWHYEKJBQI-OCCSQVGLSA-N 344.419 1.155 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(C(=O)c3ncccn3)CCO2)ccn1 257342379 ZOIRVCVBJQBAGE-HNNXBMFYSA-N 341.415 1.411 0 40 EDAB C[C@@]1(O)CCN(C(=O)Cn2ccnc2)C[C@H]1Oc1cccc(F)c1 257308276 TWDIBAJFFSFYDT-NVXWUHKLSA-N 333.363 1.453 0 40 EDAB CNc1cc([C@H]2CCCN2CC2(O)CCN(C(C)=O)CC2)nc(C)n1 257245293 IOWGDKKGRGACDN-MRXNPFEDSA-N 347.463 1.337 0 40 EDAB Cc1cc(C)nc(N2CC[C@H](O)[C@@H](N3CCCN(C)CC3)CC2)n1 257238714 HMFOGFBGELUIFX-IRXDYDNUSA-N 333.480 1.061 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2nc(C)cc(C)n2)C1 263689308 GSTXMXZUVLJVOT-AWEZNQCLSA-N 334.420 1.331 0 40 EDAB CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1cccnc1C(F)(F)F 287465833 JECYCWFTOOBDHE-MRVPVSSYSA-N 340.323 1.974 0 40 EDAB CC[C@H]1CN(S(=O)(=O)c2nnnn2C)CC[C@@H]1c1ccccc1 1615605715 AQUZUIFLMIWLQI-JSGCOSHPSA-N 335.433 1.415 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cc(C)n(CCO)n2)c(Cl)n1 1615615083 SITWMOJBBIQTBC-UHFFFAOYSA-N 330.797 1.341 0 40 EDAB C[C@@H](NC(=O)NCc1ccnc(C(F)(F)F)c1)c1nnnn1C 1615614437 HJFVEPNTTCOPTC-SSDOTTSWSA-N 329.286 1.184 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@H](C(=O)NCc2cccs2)C1 575406196 VXXKJMJLGYNQGD-AWEZNQCLSA-N 332.429 1.944 0 40 EDAB Cc1cc(C(=O)NC2CCN(C(=O)CCn3ccnn3)CC2)c(C)o1 589391669 MLAWNRNLWDLJIE-UHFFFAOYSA-N 345.403 1.299 0 40 EDAB O=C(c1cc[nH]c1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 585108844 UPUPMSXUNKZHAX-ULQDDVLXSA-N 327.384 1.999 0 40 EDAB CCN1C[C@H](C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)CC1=O 66770526 QOTDQFWSJUAZMZ-UKRRQHHQSA-N 344.411 1.990 0 40 EDAB CS(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 69628367 ZOJREPZSUAQFGP-ZIAGYGMSSA-N 337.397 1.837 0 40 EDAB CCc1nc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)no1 69770304 HJKMLFNGERFZDN-HNNXBMFYSA-N 346.431 1.190 0 40 EDAB O=C(Cc1csc(-c2ncccn2)n1)N1CCO[C@H]2CCC[C@@H]21 56198230 LVZKKHVREAZVDP-STQMWFEESA-N 330.413 1.923 0 40 EDAB CN1N=C(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)CCC1=O 56149303 SLZCHFBUQKVNAC-HNNXBMFYSA-N 329.400 1.802 0 40 EDAB CCCCS(=O)(=O)NCC1CCN(C(=O)c2ccoc2)CC1 75156987 LJJGRUXJHBMERT-UHFFFAOYSA-N 328.434 1.851 0 40 EDAB Cc1cccc(CN2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)c1 75118348 RAJCGRRYMCFVQQ-UHFFFAOYSA-N 325.412 1.950 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 106561352 COECUVMCARXCTI-RBSFLKMASA-N 343.431 1.710 0 40 EDAB Cc1nc(N2CCN(C(=O)N(C)C)CC2)ccc1Br 95985548 ZUBIOQBQMFHJBO-UHFFFAOYSA-N 327.226 1.956 0 40 EDAB CCc1occc1C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1615615647 SIVDNDMPEHTOHZ-UHFFFAOYSA-N 327.402 1.262 0 40 EDAB CCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)n1 8053644 BSBBFMQHZOFCRZ-VMPITWQZSA-N 336.808 1.873 0 40 EDAB O=C1COC[C@H]([C@H](O)c2ccc(NC(=O)c3cccs3)cc2)N1 1772595155 RRWKMLQMVWGDOR-IUODEOHRSA-N 332.381 1.549 0 40 EDAB CCNC(=O)NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1 5492727 FTGUAVCUJNKKJZ-UHFFFAOYSA-N 348.432 1.724 0 40 EDAB Cc1ccc(C(=O)O)cc1NC(=O)C[C@@H]1SC2=NCCN2C1=O 16899438 DKQNBSHICJHOAE-NSHDSACASA-N 333.369 1.335 0 40 EDAB COc1ccccc1S(=O)(=O)N[C@@H]1CCN(c2nccs2)C1 206817954 FHTTXBNYLCTLJM-LLVKDONJSA-N 339.442 1.709 0 40 EDAB CCc1ccc(C(=O)N2CCN(C(=O)C3(C(=O)O)CC3)CC2)cc1 154786852 HNRRYJHZOGUVCN-UHFFFAOYSA-N 330.384 1.398 0 40 EDAB CCCc1nnsc1C(=O)N1CCC[C@H](Oc2cnccn2)C1 225471801 LFYFVXBCCKLWKK-NSHDSACASA-N 333.417 1.964 0 40 EDAB Cc1noc(C)c1CC(=O)NCC1CCN(c2ncc(F)cn2)CC1 252498285 QXKAZXNLWJPPQJ-UHFFFAOYSA-N 347.394 1.796 0 40 EDAB CCN1CCN([C@H](c2cccs2)[C@H](C)NS(C)(=O)=O)CC1 22460417 TUZQXKSWWOMARK-JSGCOSHPSA-N 331.507 1.364 0 40 EDAB O=C(C1CCN(c2cc3c(nn2)CCC3)CC1)N1CCSCC1 585150174 DZAODJBMYJHOJG-UHFFFAOYSA-N 332.473 1.757 0 40 EDAB O=C([C@@H]1CCOC1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 390832158 XRLCHNITKKQMAO-YPMHNXCESA-N 329.443 1.473 0 40 EDAB CCN=c1ccnc(N2CCN(c3cc(C)nc(C4CC4)n3)CC2)[nH]1 1888863959 MDEHOGADFHLZNA-UHFFFAOYSA-N 339.447 1.633 0 40 EDAB Cc1nnc(N2CC(NS(=O)(=O)c3ccc(Cl)cc3)C2)s1 1888870248 OBECTRUQJXEBDA-UHFFFAOYSA-N 344.849 1.667 0 40 EDAB COc1ccc2nnc(CNC(=O)c3ccc(C(C)=O)cc3)n2n1 238906432 RWKDPYISLFOJTQ-UHFFFAOYSA-N 325.328 1.266 0 40 EDAB CNCC(=O)N1CC[C@H](c2nc(C)cc(Nc3nccs3)n2)C1 2037835027 RUMQPCMKMIWIHC-NSHDSACASA-N 332.433 1.520 0 40 EDAB CC(C)N1CCCC[C@@]2(CN(C(=O)Cc3cccnc3)CCO2)C1=O 2037984718 LIFIIFPQGKNMMR-LJQANCHMSA-N 345.443 1.643 0 40 EDAB Cc1cc(C)c(NC(=O)CSc2nnc(C)c(=O)n2N)c(C)c1 3300365 HDLWTRYAOAECET-UHFFFAOYSA-N 333.417 1.317 0 40 EDAB CCc1ccccc1NC(=O)COc1nsnc1N1CCOCC1 4717396 QMAQFRJBPUNAGO-UHFFFAOYSA-N 348.428 1.955 0 40 EDAB NC(=O)Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1 11695031 QWKWJCXCFGGNQQ-UHFFFAOYSA-N 336.394 1.875 0 40 EDAB C[C@H]1CC[C@H](C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)CC1 2055713352 DGSQWLAQURTVLZ-SHTZXODSSA-N 342.447 1.734 0 40 EDAB O=C(c1cscn1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772609 CVXIWHKMGCKTSY-UHFFFAOYSA-N 345.428 1.203 0 40 EDAB COc1ccc(NC(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)c(OC)c1 225703239 KBXIMVPGZUYIOV-SNVBAGLBSA-N 349.343 1.289 0 40 EDAB COC(=O)c1c(C)n[nH]c1S(=O)(=O)NCc1cccc(Cl)c1 48991439 YNRVHBQUSKZTQU-UHFFFAOYSA-N 343.792 1.637 0 40 EDAB CCCc1nnsc1C(=O)NC[C@]1(O)CCOc2ccccc21 75158107 TUDDLLUCNODHIA-MRXNPFEDSA-N 333.413 1.891 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 30870583 HPOCXIHESXBKDR-LLVKDONJSA-N 334.397 1.305 0 40 EDAB CC(C)CCNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 20899665 VOFOYZYPIDCNPI-AWEZNQCLSA-N 349.456 1.762 0 40 EDAB COC(=O)CCCN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 32442942 LFDXUXYINZVTQA-UHFFFAOYSA-N 331.390 1.278 0 40 EDAB C[C@@H]1CN(c2ccc(CNc3ccc4nnnn4n3)cn2)C[C@@H](C)O1 52219077 QXGJQXKBJXGBID-VXGBXAGGSA-N 340.391 1.140 0 40 EDAB O=c1[nH]c2ccccc2c(=O)n1NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 102267260 AVXZYUZGSGWYAK-KWBADKCTSA-N 330.413 1.296 0 40 EDAB CC1CCC2(CC1)NC(=O)N(C[C@H](O)COCc1ccco1)C2=O 21559246 UJLQQCHASUPVJQ-JZLYGMAVSA-N 336.388 1.658 0 40 EDAB Cc1ccc(-n2c(N)c(CN3CCC(C)CC3)c(=O)[nH]c2=O)cc1 41181960 RCUZTSDTGQHPLT-UHFFFAOYSA-N 328.416 1.648 0 40 EDAB NC(=O)C1(CNC(=O)CCc2ccc(Cl)s2)CCOCC1 52745279 OQOKMSXZWGAKRQ-UHFFFAOYSA-N 330.837 1.732 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)N3CC[C@@H]4CCCC[C@@H]4C3)cnc21 41800960 MBBHNTLEMSCBKB-UONOGXRCSA-N 343.431 1.559 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)Nc1cccnc1-n1cncn1 78936892 TUFPZGRVEURXKL-UHFFFAOYSA-N 340.391 1.837 0 40 EDAB COC(=O)c1nc(NC(=O)c2ccccc2-n2cnnn2)sc1C 79501762 OYVMESSJGFXJQW-UHFFFAOYSA-N 344.356 1.466 0 40 EDAB CC(C)C(=O)N(C)CCCNC(=O)c1nc2ccccc2c(=O)[nH]1 22471538 NFHWCZUEHFILHW-UHFFFAOYSA-N 330.388 1.157 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)s1 6680134 LMPKERISFSZRLU-NXEZZACHSA-N 346.474 1.604 0 40 EDAB COCc1nnc(NC(=O)c2sc3nc[nH]c(=O)c3c2C)s1 61720061 XADBJVCITBCMKH-UHFFFAOYSA-N 337.386 1.543 0 40 EDAB Cc1cc(C)c(CNC(=O)c2ccccc2S(C)(=O)=O)c(=O)[nH]1 23697378 RGFXSQYUNOCVOX-UHFFFAOYSA-N 334.397 1.325 0 40 EDAB CC(C)c1ccc(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 23743444 STCGFKRXKAFBBX-CQSZACIVSA-N 331.459 1.666 0 40 EDAB O=C1CN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CCN1 23717701 SGOMZWDCDNTCIK-UHFFFAOYSA-N 329.381 1.572 0 40 EDAB CSc1ncc(C(=O)NCCN2CCOCC2)n1-c1ccccc1 23717733 PDYVFWIBBFDSCE-UHFFFAOYSA-N 346.456 1.656 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccccc1C(=O)N1CCOCC1 61721224 SNGNUFKTIZWXLW-UONOGXRCSA-N 346.383 1.454 0 40 EDAB CCN(CC)Cc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)o1 55123017 PKYJJEOKPVXTMK-LBPRGKRZSA-N 328.434 1.381 0 40 EDAB Cc1nc(SCC(=O)N[C@H]2CCCC[C@H]2C)[nH]c(=O)c1CCO 24747839 FHOSFHCJMPWCDV-MFKMUULPSA-N 339.461 1.400 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106517518 UGRVEFIJDGFYGV-KKUMJFAQSA-N 328.478 1.601 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)/C=C/c1cnn(-c2ccccc2)n1 56017649 DMBBKXPNDBASQS-XACNLCELSA-N 339.399 1.393 0 40 EDAB Nc1ncccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 25685889 OEFZIVFUXOAUJG-UHFFFAOYSA-N 329.312 1.231 0 40 EDAB COc1ccc(C2(CNC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CCOCC2)cc1 56452580 IOXSRTVIHBMENM-GJZGRUSLSA-N 334.372 1.525 0 40 EDAB O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CCCC[C@H]1c1ccccc1 108483231 XFJMYXRVCOPXNS-KKUMJFAQSA-N 329.400 1.817 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(C(F)F)s1 108999327 MVUGSQBYVIQGMZ-UHFFFAOYSA-N 337.311 1.824 0 40 EDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1cccc(C(=O)O)c1)CS2 95352032 CIVKQYHNMJAHCI-MLGOLLRUSA-N 334.397 1.455 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)CC[C@H]2CCCO2)c1 27345291 IMRGUZILDOKLBF-CYBMUJFWSA-N 326.418 1.170 0 40 EDAB CCN(Cc1cnn(C)c1)C(=O)CCNC(=O)NC1CCCCC1 58065457 CEIQOBXLINQBAK-UHFFFAOYSA-N 335.452 1.791 0 40 EDAB CCOC(=O)c1cc(C(N)=O)c(S[C@H](C)C(=O)OCC)nc1C 58265249 PXVCHTHJUNJMTG-SECBINFHSA-N 340.401 1.709 0 40 EDAB Cc1nc2c(C)cccc2cc1C(=O)N1CCN2CCN(C)C[C@H]2C1 106262897 SSWJIIYBSTXYBQ-KRWDZBQOSA-N 338.455 1.923 0 40 EDAB CCOC(=O)CN(CC)S(=O)(=O)c1ccc(C(=O)OCC)cc1 48275223 IIAVBWCINYYVHZ-UHFFFAOYSA-N 343.401 1.437 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c1 44943735 SRJCUFGDNWWGFE-LBPRGKRZSA-N 342.399 1.767 0 40 EDAB C[C@@H]1CCCCN1CCNC(=O)NCc1ccc(-n2cncn2)nc1 44968730 LVVONXCBJIXQSU-CQSZACIVSA-N 343.435 1.336 0 40 EDAB CCN1CCN(CCCNC(=O)c2cnn(-c3cccnc3)c2)CC1 84789356 KRXTVDDJBGSJDC-UHFFFAOYSA-N 342.447 1.025 0 40 EDAB C[C@H](NC(=O)NCc1ccncc1)c1ccc(S(N)(=O)=O)cc1 58404627 MQVOBZBDPFGJEL-NSHDSACASA-N 334.401 1.289 0 40 EDAB NC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 12791432 ILXWSWQCXUXVDE-UHFFFAOYSA-N 346.355 1.020 0 40 EDAB C[C@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1ncnc2nc[nH]c12 11136865 GMEQMONXWQFYOG-ZETCQYMHSA-N 347.281 1.815 0 40 EDAB Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN 22057143 MUXSMSOGTBJZDC-JYRVWZFOSA-N 342.374 1.952 0 40 EDAB in-vitro O=C(N[C@@H]1CCCN(c2ccccn2)C1)N1CCCC[C@H]1CCO 110707936 AWLCJVZOGHONMJ-CVEARBPZSA-N 332.448 1.997 0 40 EDAB COc1cc2[nH]c3c(=O)n(CCN4CCCC4)cnc3c2cc1OC 2442181 UWAPUSRHDSZPGQ-UHFFFAOYSA-N 342.399 1.991 0 40 EDAB Cc1ccc(F)c(N2CCC[C@H](NC(=O)c3noc(C)n3)C2=O)c1 95452132 GKUMWROEVPHOPJ-LBPRGKRZSA-N 332.335 1.751 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCCc2ccccc2C)n(C)c1 29700361 PWKLEFKUYJZMLA-UHFFFAOYSA-N 335.429 1.214 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCN(C(=O)c3ccccc3)CC2)no1 12853405 AXQXXUGOLQECNT-AWEZNQCLSA-N 342.399 1.768 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc2[nH]c3c(c2c1)CCCC3 12978935 IWRPVDZKFVYAOX-LBPRGKRZSA-N 332.425 1.964 0 40 EDAB COc1ccccc1CNCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 48783297 XXBWPSDOJPPLBJ-ZIAGYGMSSA-N 342.461 1.224 0 40 EDAB Cc1noc(CS(=O)(=O)[C@@H](C)C(=O)N2CCCc3ccccc32)n1 48705114 LYKUDANCXANBOA-NSHDSACASA-N 349.412 1.661 0 40 EDAB O=C1CCC(=O)N1c1cc(O)nc2nc(CCc3ccccc3)nn12 9013254 KFSRYRASJMGYKU-UHFFFAOYSA-N 337.339 1.269 0 40 EDAB COc1cc(NS(=O)(=O)c2cccs2)c(C(N)=O)cc1OC 63634197 PLEOHPRBMSQWMZ-UHFFFAOYSA-N 342.398 1.665 0 40 EDAB Cc1nnnn1-c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 71279257 SHLARRPISZDWPC-UHFFFAOYSA-N 349.398 1.328 0 40 EDAB CCOc1cc([C@H]2C(C(=O)OC)=C(C)Nc3nnnn32)ccc1O 5016123 HPANSXJBNJRFJI-ZDUSSCGKSA-N 331.332 1.239 0 40 EDAB Cc1cc2ccccc2n1CC(=O)N1CCC(CS(N)(=O)=O)CC1 65576313 JYSFAVUYHJPRFC-UHFFFAOYSA-N 349.456 1.477 0 40 EDAB COc1ncnc2c1CN(Cc1cc(=O)n3ccsc3n1)CC2 65531016 MHOKKZFOKNJOIR-UHFFFAOYSA-N 329.385 1.113 0 40 EDAB NC(=O)c1ccccc1COC(=O)COCCOc1ccccc1 65566491 KBQFZMNODSIYJI-UHFFFAOYSA-N 329.352 1.924 0 40 EDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccncc1 14228309 ZOBZCIVOSKMUQB-UHFFFAOYSA-N 341.367 1.954 0 40 EDAB Cc1ccc(-c2nnn(CC(=O)N3CC(=O)Nc4ccccc43)n2)cc1 5491795 XNEHFLQCJNFMMB-UHFFFAOYSA-N 348.366 1.634 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)Nc2nc3c(s2)CCCCC3)CCO1 96005570 QJLQKZGVQWADJP-LLVKDONJSA-N 338.433 1.391 0 40 EDAB C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)N1CCOCC1 66934548 WVNSWBDDWFPNHI-DZGCQCFKSA-N 326.418 1.025 0 40 EDAB CCCNC(=O)c1nsc(C(=O)NCc2ccc(F)cc2)c1N 67334886 REFITZHDBJBUNA-UHFFFAOYSA-N 336.392 1.934 0 40 EDAB CC(=O)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1 9306869 YHHPTLKTKWQHFO-UHFFFAOYSA-N 339.461 1.636 0 40 EDAB O=C1CCSc2ccc(S(=O)(=O)N3CCOCC3)cc2N1 15728438 VDPKIIZBBCBZHJ-UHFFFAOYSA-N 328.415 1.142 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@H](c3noc(CC)n3)C2)ccc1=O 67887613 CBFMYPYPAVFXFV-LBPRGKRZSA-N 345.403 1.619 0 40 EDAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CC3)[C@H]4C2=O)cc1 15905575 ZSTRBARPVXWWDN-OAFZBRQQSA-N 340.379 1.260 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(c2nc3cccnc3s2)CC1 68822586 VBSQOZRDKQNSMA-GFCCVEGCSA-N 333.461 1.726 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c(OC)c1 16960940 GOOFIVYIBFFZFI-LBPRGKRZSA-N 328.390 1.066 0 40 EDAB Cc1nnc(NC(=O)COc2ccc(N3CCCC3=O)cc2)s1 16961919 XQCRXQFVCHOFIQ-UHFFFAOYSA-N 332.385 1.991 0 40 EDAB CS(=O)(=O)NCCc1ccc(C(=O)NOCc2ccccc2)cc1 23040099 PVGFFPANOIPGRN-UHFFFAOYSA-N 348.424 1.640 0 40 EDAB Cc1ccc(OC[C@H](O)CN2CCN(Cc3nccn3C)CC2)cc1 69350100 OCDIYMUCIJJHHX-QGZVFWFLSA-N 344.459 1.286 0 40 EDAB CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 69414012 AASWIHMUEATCQZ-QGZVFWFLSA-N 344.459 1.525 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)CCCOc3ccccc3F)CC2)N1 71819815 CFFLYIWDEYSOCI-UHFFFAOYSA-N 349.362 1.185 0 40 EDAB COc1ccc(CN(C)C(=O)CN2CCn3c(C)nnc3C2)cc1F 69519290 LOONXBCSKIBUJV-UHFFFAOYSA-N 347.394 1.208 0 40 EDAB O=C(NCCO)NCCc1ccc(I)s1 69665241 HZFQPSMADPOERH-UHFFFAOYSA-N 340.186 1.187 0 40 EDAB Cc1ccc(OCCC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1 71896318 CQWHGESGZNPXKH-AWEZNQCLSA-N 340.445 1.291 0 40 EDAB COCCN(C(=O)[C@H](C)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 71889113 QTECSODLYXATIK-TZMCWYRMSA-N 343.445 1.662 0 40 EDAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 69741252 HCCPBVNMFMSSBA-SNVBAGLBSA-N 325.365 1.061 0 40 EDAB CCCc1cc(C(=O)N2CCCN(c3ccc(C)nn3)CC2)[nH]n1 69778890 ZAUDPVWXAPDZPB-UHFFFAOYSA-N 328.420 1.813 0 40 EDAB CCC[C@H]1CCc2nc(NC(=O)Cn3ccc(=O)[nH]c3=O)sc2C1 71850012 GEKLBWXJRDUJAZ-JTQLQIEISA-N 348.428 1.537 0 40 EDAB Cc1ccn2ncc(C(=O)OC[C@H]3CN(CC(C)C)CCO3)c2n1 69948158 BKOMPKRJCFNGSG-CQSZACIVSA-N 332.404 1.551 0 40 EDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC(Nc2cccnn2)CC1 83888558 ZCERXPPVFGWGCA-GFCCVEGCSA-N 333.436 1.430 0 40 EDAB COC(=O)c1cccc(C(=O)N[C@H](C(=O)N(C)C)c2ccccc2)n1 83843950 JTNYIHSWTSMSIV-HNNXBMFYSA-N 341.367 1.428 0 40 EDAB O=C(CN1CCCN(CC(=O)NC2CC2)c2ccccc21)NC1CC1 71912094 GRTCYKPGNWWRAT-UHFFFAOYSA-N 342.443 1.260 0 40 EDAB CN(CC(=O)NCc1ccco1)[C@@H]1CCN(c2ccccc2F)C1=O 71900645 WRACEEHYMRKJCP-MRXNPFEDSA-N 345.374 1.772 0 40 EDAB Cc1cnc(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)s1 71921247 WMZIMHRCALSKDK-LBPRGKRZSA-N 329.381 1.909 0 40 EDAB Cn1ncc2cnn(C[C@H](O)COc3cccc4[nH]ccc34)c2c1=O 95438876 IYDCFPBNONTJQA-LBPRGKRZSA-N 339.355 1.051 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@@H](Oc2cccnc2)C1 97015781 QIXPUKVENQRADN-OAHLLOKOSA-N 346.408 1.859 0 40 EDAB Cn1cc([C@H]2CN(S(=O)(=O)CC3CCCCC3)CCO2)cn1 97012686 UWEQPJSCLKQKJN-OAHLLOKOSA-N 327.450 1.704 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccc(O)cc2)CC1 95469776 MLGGVAFLTAQRAR-LBPRGKRZSA-N 343.435 1.109 0 40 EDAB CCn1ncc2c1CCC[C@@H]2NCc1cnc(N2CCOCC2)nc1 72298499 JWGQBBGULIQOBS-INIZCTEOSA-N 342.447 1.697 0 40 EDAB O=C(Cn1cn[nH]c1=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 97103233 QTVPPAYHZNITFV-GOSISDBHSA-N 348.406 1.940 0 40 EDAB Cc1ccccc1Cc1sc(NC(=O)Cn2cn[nH]c2=O)nc1C 97102943 QCWWCYCPDRRWMX-UHFFFAOYSA-N 343.412 1.874 0 40 EDAB O[C@H](CN1CCN(c2nccc(C(F)(F)F)n2)CC1)C(F)(F)F 97141604 XQGKTVXCEYCNFH-SECBINFHSA-N 344.259 1.541 0 40 EDAB C[C@H]1Oc2ccccc2N(CC(=O)N[C@@H]2CCc3nccn3C2)C1=O 97197900 TXYYFKKWVWMTCO-CHWSQXEVSA-N 340.383 1.128 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)CCc1nc2ncccc2[nH]1 72325885 XUPYFGSXEJDMCV-UHFFFAOYSA-N 339.355 1.637 0 40 EDAB biogenic COc1ncnc2c1CN(CC(=O)N1CCc3sccc3C1)CC2 97202001 LJCILVIQPJWQSS-UHFFFAOYSA-N 344.440 1.490 0 40 EDAB C[C@H](NC(=O)C(=O)Nc1cccnc1)c1nc(C2CCCC2)no1 95964038 OZHRMWJXNXUGGO-JTQLQIEISA-N 329.360 1.938 0 40 EDAB CN1CCC(N(C)CCN(C)S(=O)(=O)CC2CCCCC2)CC1 95984071 SNASHRNGZHWWCJ-UHFFFAOYSA-N 345.553 1.854 0 40 EDAB c1cc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)ccn1 95997073 ZPZLCRPXDUFFRQ-UHFFFAOYSA-N 340.431 1.030 0 40 EDAB CCc1nc(CN2CCO[C@@H](CN(C)c3cccnn3)C2)cs1 89289938 VMXLQHMHSZNVDS-AWEZNQCLSA-N 333.461 1.833 0 40 EDAB Cc1cc(C)n2nc(CCCNC(=O)c3ccc(C)[nH]c3=O)cc2n1 75121195 BGBMVQOEEWPVPB-UHFFFAOYSA-N 339.399 1.705 0 40 EDAB Cn1ccnc1CNC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 89761449 HZWLBSXFLGTIME-LLVKDONJSA-N 334.811 1.547 0 40 EDAB C[C@@H](O)CNc1nc2ccccc2n1Cc1nsc(N(C)C)n1 89720124 YFYCEJOCRBHYMX-SNVBAGLBSA-N 332.433 1.795 0 40 EDAB Cc1cnc(COCC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)o1 557067127 MKFMHAQMCVOYKX-HUUCEWRRSA-N 334.347 1.973 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 25378593 MTPFETTZJODMIH-LBPRGKRZSA-N 329.356 1.757 0 40 EDAB Cc1cccc(C(=O)N[C@@H](C(=O)NCC(=O)NC(C)C)C(C)C)c1 32748096 HBACYQMALXHQHO-MRXNPFEDSA-N 333.432 1.390 0 40 EDAB C[C@H]1c2nc(C(=O)N3CC=CC3)cn2CCN1Cc1cnn(C)c1 306137138 QMHIZDAHKWSAIC-ZDUSSCGKSA-N 326.404 1.205 0 40 EDAB O=C(NCC1(O)Cc2ccccc2C1)N[C@@H]1CCc2c[nH]nc2C1 531825283 WJUYYTFGFQWEFM-OAHLLOKOSA-N 326.400 1.096 0 40 EDAB O=C(O)CN(C(=O)Cc1cc2ccccc2nc1O)C1CCOCC1 532259623 CRRASWBUJVLDIJ-UHFFFAOYSA-N 344.367 1.575 0 40 EDAB COC(=O)CCCn1cc(F)cc(I)c1=O 182239301 DTWDZUDJIISTNU-UHFFFAOYSA-N 339.104 1.545 0 40 EDAB Cc1csc(N2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)n1 557516623 VKRFQPDIVQYANW-CYBMUJFWSA-N 331.445 1.559 0 40 EDAB O=C1C[C@H](C(=O)Nc2nccs2)N2C(=O)c3ccccc3[C@@H]2N1 1565525013 WIVMNAXVWZFJRX-ZYHUDNBSSA-N 328.353 1.125 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC 217428651 QYNHEBGKCMBDEJ-LLVKDONJSA-N 344.433 1.910 0 40 EDAB C[C@@]1(c2cccc(NC(=O)/C=C/c3ccco3)c2)NC(=O)NC1=O 40538620 IWCUDUPERHKTHM-OZSKJFCKSA-N 325.324 1.986 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)COc2cccc(Cl)c2)CC1 47456232 VNMFTQNCLXLUMU-UHFFFAOYSA-N 346.836 1.213 0 40 EDAB Cn1nc(-c2ccccc2)cc1C(=O)NC[C@H]1CCS(=O)(=O)C1 42383746 NAWVXBMACXEEBK-GFCCVEGCSA-N 333.413 1.252 0 40 EDAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@H](C)OC[C@@H]3CCCCO3)[C@@H]2C1 328820510 HNQTVTCULYKXKQ-NNXHMXCWSA-N 341.448 1.756 0 40 EDAB CCCn1cc(CNC(=O)C(=O)Nc2ccc(OC)nc2)c(C)n1 40283392 HKXHINCAKPKDBA-UHFFFAOYSA-N 331.376 1.260 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[S@@](=O)C(C)(C)C2)[nH]n1 88205414 GRLYMJFUSZUBQT-DEOSSOPVSA-N 349.460 1.410 0 40 EDAB Cc1csc(=O)n1CCC(=O)N[C@H]1CCCN(c2ncccn2)C1 40553768 TVOVVSMXSSIHNI-ZDUSSCGKSA-N 347.444 1.184 0 40 EDAB O=C(c1ccc(OC2CCOCC2)nc1)N1CCC2(CC1)OCCO2 225711150 LTLFTBZWPVESHO-UHFFFAOYSA-N 348.399 1.619 0 40 EDAB CN1CC[C@H](CN(C)C(=O)NCc2ccccc2-n2cccn2)C1 89374950 GPUBZYZYIIKPMA-HNNXBMFYSA-N 327.432 1.965 0 40 EDAB O=S(=O)(NCc1ccnc(N2CCCC2)n1)c1ccc(F)cc1 224202780 SGDWAEGRAYGTLJ-UHFFFAOYSA-N 336.392 1.694 0 40 EDAB CN1C(=O)c2cccnc2O[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 514289411 KESYEIPVMNMXPX-CVEARBPZSA-N 327.359 1.938 0 40 EDAB biogenic,in-vitro CO[C@@H]1CN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC[C@@H]1C 195573752 SWKXMVXTJRQCGW-YNEHKIRRSA-N 337.386 1.937 0 40 EDAB CC(C)OC(=O)[C@H]1[C@H](c2ccc(O)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101359 NAIPXCJKLWSVPB-DDUZABMNSA-N 346.383 1.828 0 40 EDAB CC(=O)N1CC(NC(=O)CSc2cccc(Br)c2)C1 96487545 REQZPELDPOZPQY-UHFFFAOYSA-N 343.246 1.888 0 40 EDAB CC(C)N1C(=O)C[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)C1=O 96492945 OQYWRNCOTZYNRS-OAHLLOKOSA-N 327.384 1.753 0 40 EDAB O=C(NCC(=O)N1CCCC1)c1ccc(OCC(F)(F)F)nc1 25442590 BHVULVGDROGJSE-UHFFFAOYSA-N 331.294 1.375 0 40 EDAB CCn1cc2c(n1)[C@H](COC)CN(S(=O)(=O)c1ccccc1)C2 96198057 AZMQSQBJCLVYLE-AWEZNQCLSA-N 335.429 1.838 0 40 EDAB CCc1nncn1CCNC(=O)Nc1cc(F)ccc1-n1cccn1 96434714 NQXQEENKTNLJNG-UHFFFAOYSA-N 343.366 1.987 0 40 EDAB CN(C)c1cccc(CNC(=O)NCCc2cn3c(n2)CCCC3)n1 95437493 YHVDSTXXFDGIAT-UHFFFAOYSA-N 342.447 1.722 0 40 EDAB C[C@@H]1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1cccnc1 96109716 JOAAWDADLUBYQI-CQSZACIVSA-N 343.431 1.460 0 40 EDAB O=C(c1ccno1)N1CCO[C@@H]2C[C@@H](COCc3ccccn3)C[C@H]21 96250848 BOJQBISVVHSZCF-YSVLISHTSA-N 343.383 1.906 0 40 EDAB Cc1cnc(C(=O)N2CC[C@@]3(C[C@@H](Oc4ncccn4)CO3)C2)cn1 96072565 KLGIIQJMYXSEKP-CXAGYDPISA-N 341.371 1.028 0 40 EDAB Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)cc1 96111596 WGRJZZBBBPDABA-INMHGKMJSA-N 346.452 1.704 0 40 EDAB biogenic,in-vitro COCCN(C)CCNC(=O)N[C@H]1CCCN(c2ccccc2)C1 96406862 BYLJTECAHXZCCV-INIZCTEOSA-N 334.464 1.533 0 40 EDAB O=C(c1ccncc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 96057976 YNQRDVMYKXMGIS-GVDBMIGSSA-N 325.368 1.928 0 40 EDAB O=C(c1ccnnc1)N1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1 96208420 KZYSCENTLCECBY-DYVFJYSZSA-N 341.371 1.068 0 40 EDAB CC(C)(C)c1nnnn1CC(=O)N1CCN(Cc2ccsc2)CC1 95427873 WAKMIBAWPYAZTK-UHFFFAOYSA-N 348.476 1.377 0 40 EDAB C[C@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCc2ccc(F)cc21 96474835 SLJLKSGJFQSYML-QMTHXVAHSA-N 328.409 1.935 0 40 EDAB CO[C@@H]1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H]1Cc1cnn(C)c1 96069861 WSNCIWBWXVGTMI-LSDHHAIUSA-N 343.383 1.621 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@@H]21)c1ccnnc1 96065186 SJRPPUIPMLKIAZ-UAGQMJEPSA-N 342.399 1.479 0 40 EDAB Cc1cc(C(=O)O)cc(S(=O)(=O)N2CC[C@H]2C(=O)O)c1Cl 585122371 YODIZFWQLTVZCY-QMMMGPOBSA-N 333.749 1.194 0 40 EDAB CC(C)(C)OC(=O)c1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)ccn1 585126937 LUWIPCQKBJONSL-JTQLQIEISA-N 340.401 1.410 0 40 EDAB CCN1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)C1 245289694 DMMTZYSFYAKJQH-BBRMVZONSA-N 339.386 1.380 0 40 EDAB CN(C)C(=O)CO[C@@H]1CN(Cc2ccccc2F)Cc2ccnn2C1 248016062 QFPXDBFDIYJTDT-MRXNPFEDSA-N 346.406 1.511 0 40 EDAB CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCN2CCCC2=O)ncn1 248111220 KEJFQCPEDPWYPS-AWEZNQCLSA-N 345.447 1.150 0 40 EDAB Cc1nc(CO[C@H]2CSC3(C2)CN(S(C)(=O)=O)C3)cs1 248023906 JYBOUFKMHYYPFB-LLVKDONJSA-N 334.488 1.488 0 40 EDAB Cn1ccc(C(=O)N2CC3(C2)OCC[C@@H]3COc2ccccn2)n1 248150717 UAMXOTVQEVSXEZ-CYBMUJFWSA-N 328.372 1.125 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CCO1 257214069 CKJSJSKFNSKURV-ZDUSSCGKSA-N 339.359 1.003 0 40 EDAB Cc1cccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)c1 257308455 TWSZMRKAWYSQER-IBGZPJMESA-N 340.427 1.889 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)Cc3csc(C)n3)CCO2)ncn1 257320549 VXIILHXWXXQABW-INIZCTEOSA-N 346.456 1.953 0 40 EDAB C1=CO[C@H](C2NC([C@@H]3CCC=CO3)NC([C@@H]3CCC=CO3)N2)CC1 255188718 LDQSSOXKHWNDPH-LDZGKGGCSA-N 333.432 1.825 0 40 EDAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@H]1S(C)(=O)=O 252514805 DYGAXBMARXIJLH-NFAWXSAZSA-N 327.471 1.814 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCOC[C@@H](Cc2ccncn2)C1 257252826 JWFZRSYOHXFGAO-HNNXBMFYSA-N 344.415 1.732 0 40 EDAB NC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CCO1 257334365 YFPHEHHYSPGMQH-KRWDZBQOSA-N 340.379 1.738 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)COc2cccc(F)c2)CCO1 257287471 PQCYYDJPAWHYJB-CYBMUJFWSA-N 332.335 1.177 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2cc(CC(C)C)no2)n1 257249858 JKAFNHVFLQDZNI-AWEZNQCLSA-N 346.387 1.891 0 40 EDAB COc1cc(Cl)c(S(=O)(=O)N(C)[C@@H](C)C(=O)O)cc1OC 262850664 JZIAZOMXFQIPNJ-ZETCQYMHSA-N 337.781 1.451 0 40 EDAB CC(C)c1nc2c(n1C)CCN(c1nc(N)c3cnn(C)c3n1)C2 276295548 QQANXKXUTSRVNG-UHFFFAOYSA-N 326.408 1.365 0 40 EDAB CC1(C)N=C(N)N=C(Nc2ccc(I)cc2)N1 3078071 IPZFLXWZLHBYPI-UHFFFAOYSA-N 343.172 1.713 0 40 EDAB CO[C@@H](C)CS(=O)(=O)N1CC[C@@H](C(F)(F)F)n2nccc21 1615588174 PCVURDROMOALML-IUCAKERBSA-N 327.328 1.561 0 40 EDAB COCCS(=O)(=O)Nc1ccc(NCCO)c(C(F)(F)F)c1 1615587616 NTDQJPJLLQAPIX-UHFFFAOYSA-N 342.339 1.498 0 40 EDAB NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)[C@H]1C[C@H]1c1ccccc1 1616053292 WLEVQKHZYBXFMA-OWYFMNJBSA-N 334.441 1.458 0 40 EDAB CC1CCN(C(=O)Cn2nnc([C@]3(C(F)(F)F)CCCN3)n2)CC1 1616036797 YALYUZMFIBOPEE-ZDUSSCGKSA-N 346.357 1.073 0 40 EDAB CSCc1ccc(Cn2nnnc2N(C)C[C@H]2COCCO2)cc1 1616032937 VWLXJYZMGVLIKR-HNNXBMFYSA-N 349.460 1.436 0 40 EDAB Cc1ccc(CN2CCC(CN(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1 585290336 BRCSIMBGETTXIE-AQNXPRMDSA-N 348.487 1.259 0 40 EDAB CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1ccc2c(c1)nnn2C 69561359 SPZIZLLANRMIJS-CQSZACIVSA-N 347.444 1.352 0 40 EDAB COc1ccc([C@H]2CCN(c3ncc(S(N)(=O)=O)s3)C2)cc1 69509422 NASMCBBPFQMWCW-NSHDSACASA-N 339.442 1.793 0 40 EDAB Cc1cc(CCC(=O)NCc2cccnc2)nc([C@H]2CCCNC2)n1 72366961 LOIPWBMAXLRBRZ-INIZCTEOSA-N 339.443 1.896 0 40 EDAB CN1N=C(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)CCC1=O 55274333 UDSRTYRQAKNKDW-KRWDZBQOSA-N 329.400 1.567 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@H](C(N)=O)c1ccccc1 54550675 CHJUXDQFJSIPOP-INIZCTEOSA-N 335.367 1.532 0 40 EDAB CNS(=O)(=O)CCCN1CCC[C@H](c2noc(C3CC3)n2)C1 78890701 GNXXTEUERKVZOZ-LBPRGKRZSA-N 328.438 1.066 0 40 EDAB CC(C)[C@@H](NS(=O)(=O)c1cccnc1)c1nnc2ccccn12 84456483 LVENMLKJWCRCAV-CQSZACIVSA-N 331.401 1.800 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)c3cc[n+]([O-])cc3)c2O1 40510280 YHQZEBBWMVATNE-UHFFFAOYSA-N 328.368 1.842 0 40 EDAB Cc1ccc(C(=O)NCCCN2CCCC2=O)cc1S(C)(=O)=O 40553271 DRLJSRNPTWRQGT-UHFFFAOYSA-N 338.429 1.141 0 40 EDAB CCSc1nnc([C@@H]2CCCN2C(=O)N2CCOCC2)n1C 5001563 GROYYAXERKYJMR-NSHDSACASA-N 325.438 1.516 0 40 EDAB O=C(NCCn1ncc2c(N3CCCC3)ncnc21)c1cccs1 11666018 IDNKHNRHRCLEEC-UHFFFAOYSA-N 342.428 1.918 0 40 EDAB CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1cc(C)ccc1O2 12086719 NJONWAYDCBHDNO-BFUOFWGJSA-N 344.411 1.846 0 40 EDAB Cc1nn(C)c(C)c1-c1ccc(=O)n(CC(=O)NC2CCCCC2)n1 12735320 BKYZDIKCNORGJM-UHFFFAOYSA-N 343.431 1.710 0 40 EDAB COC[C@@H](C)NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 13942044 UAWUBHSLMFEYHI-ZIAGYGMSSA-N 342.461 1.609 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(N)=O)c1 17481499 MTXDXJZMEBXAPC-UHFFFAOYSA-N 347.396 1.288 0 40 EDAB O=C(Cn1nc(-c2ccco2)ccc1=O)NC[C@H]1C[C@@H]2C=C[C@@H]1C2 169680724 YOBAGYOIGXEWRY-MGPQQGTHSA-N 325.368 1.832 0 40 EDAB CCc1ncnc(N2CCN(c3cc4c(nn3)CCC4)CC2)c1F 575605805 ACCUCJNOIZFKQV-UHFFFAOYSA-N 328.395 1.783 0 40 EDAB CC(C)(C)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23231278 HRCAMUCRWLOMAI-UHFFFAOYSA-N 328.420 1.353 0 40 EDAB C[C@H](C(=O)O)C(=O)N1CCN(CCOc2ccccc2Cl)CC1 581607208 MWYPRQDBYQOASN-LBPRGKRZSA-N 340.807 1.584 0 40 EDAB COC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C(=O)O)[C@H](C)C2)cc1 592992978 AVOWADLBBLJIQD-GFCCVEGCSA-N 348.399 1.621 0 40 EDAB CC(C)C[C@@]1(C)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 3462996 HKYXFMVDDOUPKM-GOSISDBHSA-N 343.383 1.639 0 40 EDAB Cc1cccc(F)c1C(=O)NCC1CCN(CCn2cncn2)CC1 1002178741 XNPJCXZVOYRQDC-UHFFFAOYSA-N 345.422 1.868 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(C)n2C)cc(C)c1C 23575146 MZRWHOHEMGGWNJ-UHFFFAOYSA-N 349.456 1.788 0 40 EDAB CC(C)n1ccc(C(=O)N2CCO[C@]3(CCCCN(C)C3=O)C2)n1 2037985497 LPLKVDWSAJSJQZ-QGZVFWFLSA-N 334.420 1.318 0 40 EDAB O=C(CC1(O)CCC1)N1C[C@H]2Cc3nc(N4CCCC4)ncc3[C@@H]2C1 2056214976 HPHNXERHUNUTON-UKRRQHHQSA-N 342.443 1.480 0 40 EDAB Cc1noc(CC(=O)N2CCc3ncnc(-c4cccnc4)c3C2)n1 1565556562 VSTVJWNGVVJKJU-UHFFFAOYSA-N 336.355 1.357 0 40 EDAB Cc1nc(C(=O)N2CCC3(CC2)NC(=O)c2cccnc23)cs1 1565546162 VEEPCBJOJYIDRA-UHFFFAOYSA-N 328.397 1.721 0 40 EDAB O=C(C1=NO[C@@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]12)N1CCCC1 1565553030 HKAUQVUUXAFBTM-SMDDNHRTSA-N 344.371 1.001 0 40 EDAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2S1(=O)=O 4940710 QXPQESZTPIYAJL-JTQLQIEISA-N 348.355 1.997 0 40 EDAB O=C(NCc1c(F)cccc1F)C(=O)Nc1ccc2c(c1)OCCO2 10326456 CNVNWRIPUALBRJ-UHFFFAOYSA-N 348.305 1.991 0 40 EDAB Cc1ncn(CC(=O)NCc2ccc(-c3cccnc3)nc2)c(=O)c1C 225765737 MGAOYWYYCPCTDE-UHFFFAOYSA-N 349.394 1.634 0 40 EDAB CSc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@@H](C)O)C3)cc1 12347146 WKPQIUYPSGJBME-YMTOWFKASA-N 333.413 1.240 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(-n2cnnn2)cc1 40113229 NLCWILBEFXHARR-BBRMVZONSA-N 329.404 1.987 0 40 EDAB CCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(C(=O)NC)cc2)C1 51586194 ZWSNSJNFOGHWKD-AWEZNQCLSA-N 346.431 1.816 0 40 EDAB C[C@H](C(=O)O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 51638989 SUKDPSAUFATMCG-SNVBAGLBSA-N 341.205 1.680 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccn2)C1 220774 FFDVLXJNJNJHLD-ZDUSSCGKSA-N 325.434 1.150 0 40 EDAB C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N1CCc2sccc2C1 32429633 NIGLOHIEJVUJBP-LBPRGKRZSA-N 331.441 1.623 0 40 EDAB O=C(Nc1ccccc1I)[C@@H]1COCCO1 32644637 XNMKDWFKLKTDAP-JTQLQIEISA-N 333.125 1.645 0 40 EDAB O=C(OCc1nc(-c2ccc(F)cc2)no1)[C@H]1CCS(=O)(=O)C1 32777422 WPBVVCCMXQCBDV-JTQLQIEISA-N 340.332 1.354 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2Cc3ccccc3O2)cc1 33112958 MGQNVAOXXKWOTK-CQSZACIVSA-N 346.408 1.328 0 40 EDAB CCn1nc(C)c(CNc2cc(N3CCC[C@@H]3CO)ncn2)c1C 78766419 ZDNVTZCXBMDHPS-CQSZACIVSA-N 330.436 1.883 0 40 EDAB CC(=O)Nc1nc(CN(C)[C@H](C(N)=O)c2cccc(F)c2)cs1 78949961 WGBPUFZJHKYLFM-ZDUSSCGKSA-N 336.392 1.899 0 40 EDAB Cc1nnc(CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)o1 79035287 ZDLHPSVLQZRWMO-MRXNPFEDSA-N 341.415 1.301 0 40 EDAB COc1ccccc1OCc1ccc(C(=O)N2CC[C@H](C(N)=O)C2)o1 53894986 LYFQBYYMYFSWEB-LBPRGKRZSA-N 344.367 1.815 0 40 EDAB O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)NC1CCCC1 4251484 NOOQABHSEKOUHW-UHFFFAOYSA-N 343.383 1.458 0 40 EDAB COCCN1CCN(CC(=O)N(C)Cc2cccc(Cl)c2)CC1 54187780 XCTIDCXYTHKUOU-UHFFFAOYSA-N 339.867 1.562 0 40 EDAB COCCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O 4435518 WXBQYUSXHNZBRN-HNNXBMFYSA-N 332.331 1.174 0 40 EDAB C[C@H](c1ccccc1F)n1cc(C(=O)NCCN2CCCC2)nn1 4985993 PWNRYRZUWPKSIB-CYBMUJFWSA-N 331.395 1.852 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 42869638 YTCCEGFJAROYSH-UONOGXRCSA-N 342.392 1.096 0 40 EDAB CNC(=O)[C@@H]1CN(CC(=O)N[C@H](C)c2ccco2)c2ccccc2O1 106029788 RMNMBNGFFZOFSU-WBMJQRKESA-N 343.383 1.470 0 40 EDAB Cc1ccc(Cn2cccc(NC(=O)N3CC[C@@H](O)C3)c2=O)cc1 97406711 HNFYSKZSFJLPHO-OAHLLOKOSA-N 327.384 1.804 0 40 EDAB NC(=O)CC1CCN(C(=O)c2cncc(Br)c2)CC1 48074113 PZMWXJAAQDMPNQ-UHFFFAOYSA-N 326.194 1.572 0 40 EDAB CN1C(=O)N[C@](C)([C@H]2CCCN(C[C@@H](O)c3cccc(F)c3)C2)C1=O 107059268 UABIPNYTPCUHIB-JCKWVBRZSA-N 349.406 1.511 0 40 EDAB CCCn1nc(C(=O)NC[C@H](C)N2CCc3ccccc32)ccc1=O 43771760 DIPNPIXSAHQWGJ-AWEZNQCLSA-N 340.427 1.834 0 40 EDAB C[C@@H](NC(=O)COCCOc1ccccc1)C(=O)N1CCCCC1 57226483 WJIGIAHVMPANNE-OAHLLOKOSA-N 334.416 1.599 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NC[C@@H]1CCCO1)=N[C@@H]2c1cccnc1 101983206 UYGMGFSNXFXIQK-ZFWWWQNUSA-N 340.387 1.044 0 40 EDAB Cc1cc(NCC2(N3CCOCC3)CCCCC2)n2ncnc2n1 57584454 XUTLWYBFIMWAMK-UHFFFAOYSA-N 330.436 1.880 0 40 EDAB O=C(NCC1CCCC1)c1nnc2ccc(N3CCOCC3)cc2n1 57280138 KFMYQBRCEJVDGR-UHFFFAOYSA-N 341.415 1.781 0 40 EDAB C[C@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)N1CCCC1 44934237 ZHAGJFUAHOPKKD-CQSZACIVSA-N 328.416 1.770 0 40 EDAB CCOc1ccc([C@H]2CCCN2C(=O)CCNS(C)(=O)=O)cc1 44916970 BNVZJCCEMWWBOE-OAHLLOKOSA-N 340.445 1.688 0 40 EDAB Cn1ccnc1[C@](O)(CCNC(=O)NCc1ccco1)C(F)(F)F 44954205 FUNDDADNJWSTEV-CYBMUJFWSA-N 346.309 1.653 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)[C@H](C)S(C)(=O)=O)CC2 44950278 IOBFLYNANUQZOJ-JTQLQIEISA-N 327.402 1.022 0 40 EDAB COc1c(CNCc2cccc(OCC(=O)N(C)C)c2)c(C)nn1C 58391344 CQEOVECDQLVJFF-UHFFFAOYSA-N 346.431 1.494 0 40 EDAB CCN(CC)[C@@H](CNC(=O)[C@@H](C)S(=O)(=O)C(C)C)c1ccco1 58328623 ODQXHHPXAOTXAZ-KGLIPLIRSA-N 344.477 1.990 0 40 EDAB CCOc1nnc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)s1 48332204 YSOZARINMMSKQI-LBPRGKRZSA-N 340.449 1.008 0 40 EDAB CC(C)[C@@H](C)NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 10911183 YRTBIWZUZFWIMD-MRVPVSSYSA-N 333.310 1.127 0 40 EDAB Cc1c(C(=O)N2CCN3C(=O)NC[C@H]3C2)cccc1-c1ccccn1 95438353 TUYWEHKWUKSJLG-AWEZNQCLSA-N 336.395 1.907 0 40 EDAB Cc1cc(NC(=O)CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)no1 100128756 PFXOGDIENSOVFO-STQMWFEESA-N 345.403 1.170 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3O)CC2)no1 36408658 MQCGMGFBOXUMHV-UHFFFAOYSA-N 344.371 1.085 0 40 EDAB COc1ccc(C(=O)[C@H](C)OC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 3449220 UAZZLNOJLUEVRE-JTQLQIEISA-N 348.355 1.140 0 40 EDAB O=C(Nc1ccc(CNc2ccc3nnnn3n2)cc1)c1ccco1 11607802 GTXLIGUOAJFXLD-UHFFFAOYSA-N 335.327 1.977 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@@H](C)Cn3cccn3)CC2)on1 46466546 XUTUUIUQHLHSHI-AWEZNQCLSA-N 332.408 1.095 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCCC2)cc1 12999064 VGPFJFIUAFEUAG-ZDUSSCGKSA-N 339.461 1.796 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 12919999 MDMLTOONBQQURZ-IJLUTSLNSA-N 344.408 1.128 0 40 EDAB C[C@@H]1C[C@@H](NC(=O)NC[C@](C)(O)c2ccc(F)cc2)CN1C1CC1 95442756 NOPWIUZMDIDMSQ-DWQUBVKVSA-N 335.423 1.958 0 40 EDAB Cc1occc1C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)O)C2=O 8907523 UBUXGXKWOVDERH-UHFFFAOYSA-N 342.307 1.911 0 40 EDAB Cc1ccc(N2C(=O)C(Cl)=C(N3CCN(C)CC3)C2=O)cc1C 19358604 AOTAVSZSOZQBNS-UHFFFAOYSA-N 333.819 1.874 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CN1C1CC1 84136568 WQYQQOXIZMDSIV-YPMHNXCESA-N 330.388 1.621 0 40 EDAB CC(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C1=O 9012334 XFMACZKZWJXEGM-RDTXWAMCSA-N 327.384 1.685 0 40 EDAB COCCCNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580424 CJQTXDGJLBZAPW-UHFFFAOYSA-N 326.418 1.165 0 40 EDAB COc1cccc(CN2CCC(N3CCS(=O)(=O)CC3)CC2)c1 97049042 OLCXARDOGWVPJL-UHFFFAOYSA-N 338.473 1.390 0 40 EDAB C[C@H](CC(=O)Nc1cccc(F)c1)NC[C@H]1CCS(=O)(=O)C1 97016475 XVQOQMRMKQIRNH-VXGBXAGGSA-N 328.409 1.567 0 40 EDAB CCn1c(SCC(N)=O)nnc1-c1ccc2c(c1)OCCCO2 64986890 AGPYNOSYTFABCX-UHFFFAOYSA-N 334.401 1.704 0 40 EDAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 5128626 WYSMKNYEDRGVSF-UHFFFAOYSA-N 342.351 1.421 0 40 EDAB CN1CCN(c2ccc(NC(=O)COc3cccc(F)c3)cn2)CC1 14160787 VQRKEJVDVFVOGV-UHFFFAOYSA-N 344.390 1.990 0 40 EDAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc[nH]1 6553611 JQFWMACGUOBCGC-UHFFFAOYSA-N 337.314 1.932 0 40 EDAB O=C(NCc1ccco1)C(=O)Nc1sc2c(c1C(=O)O)CCC2 6669431 JBCXTUHTPCLKIH-UHFFFAOYSA-N 334.353 1.783 0 40 EDAB CCCCc1nc(C)cc(N2CCC[C@H](CNS(N)(=O)=O)C2)n1 96011565 WDFQVWWMGLAVBF-CYBMUJFWSA-N 341.481 1.137 0 40 EDAB O=C1[C@@H](N2CCC(c3nc[nH]n3)CC2)CCN1c1ccccc1F 83444517 FQOYKUPROKGRNL-HNNXBMFYSA-N 329.379 1.929 0 40 EDAB CCCOc1cccc(C(=O)NCCCNC(=O)c2cnccn2)c1 7871480 CPAHCHMHMMHUAU-UHFFFAOYSA-N 342.399 1.815 0 40 EDAB C[C@@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccccn1 69044706 NRQFJOCFSMUDCB-GFCCVEGCSA-N 340.449 1.161 0 40 EDAB COc1cccc(CNC(=O)Cn2c(-c3ccccc3)noc2=O)c1 70036714 SZFXTYZMZZHJHP-UHFFFAOYSA-N 339.351 1.828 0 40 EDAB CC(C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2F)CC1 69375703 KAAPHWGKGHJSKS-UHFFFAOYSA-N 328.409 1.705 0 40 EDAB O=C(c1cc(Br)c2c(c1)OCCO2)N1CCOCC1 69373374 RQEDLJVKTVOENU-UHFFFAOYSA-N 328.162 1.693 0 40 EDAB CCCc1noc(-c2cccc(CNS(=O)(=O)c3c[nH]cn3)c2)n1 96413254 FVZOSJXFPSBDJI-UHFFFAOYSA-N 347.400 1.891 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCc1nc(-c3ccco3)no1)C2 97198280 DWGWMCHSBDEFID-GFCCVEGCSA-N 341.371 1.898 0 40 EDAB CCc1nnsc1C(=O)N1CCCN(Cc2cnn(CC)c2)CC1 69520970 VEGFVKAJEVBPEF-UHFFFAOYSA-N 348.476 1.665 0 40 EDAB FC(F)(F)c1ccnc(Sc2nnnn2C2CCOCC2)n1 69566412 XBCBMZKCVGCBDS-UHFFFAOYSA-N 332.311 1.985 0 40 EDAB O=C(Cc1ccccc1O)NC[C@@H]1CN(Cc2ccccc2)CCO1 69510272 HLRUTLDKTFIMMK-GOSISDBHSA-N 340.423 1.952 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)N[C@@H](C)C(=O)N(C)C)C2)c1 69655570 RHBFPIUWCUYAGA-UONOGXRCSA-N 348.447 1.297 0 40 EDAB Cn1c(Cl)cnc1CN1CCCN(C(=O)[C@@H]2CCOC2)CC1 69630108 IENFEFDPPLHYFQ-GFCCVEGCSA-N 326.828 1.144 0 40 EDAB C[C@H]1CN(C(=O)NCCNC(=O)CC2CCCCC2)C[C@@H](C)O1 69655636 RNSNONVCLOBFJR-OKILXGFUSA-N 325.453 1.892 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@](C)(c3ccccn3)C2=O)C1 69777558 NONCZGMEYLLZHA-FHSNZYRGSA-N 344.415 1.353 0 40 EDAB COC(=O)NCCCC(=O)N(C)CC(=O)Nc1ccccc1Cl 69776016 OWIMTXBTLVXRDY-UHFFFAOYSA-N 341.795 1.873 0 40 EDAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccoc1 17913035 SDNLRFHNUIZWAT-UHFFFAOYSA-N 343.383 1.827 0 40 EDAB Cc1ccc(S(C)(=O)=O)c(NC(=O)N[C@H](C)c2nc(C)no2)c1 69818050 SVCZOMSTNKKBFD-SECBINFHSA-N 338.389 1.973 0 40 EDAB COc1ccccc1CN1CCC(NC(=O)c2ccc(=O)[nH]c2)CC1 71820081 NPIPTLCZIXBBQC-UHFFFAOYSA-N 341.411 1.778 0 40 EDAB Cn1c(=O)n(CCC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc21 8706014 HXBVYJOGBXISOC-UHFFFAOYSA-N 338.367 1.468 0 40 EDAB Cn1ncc2c(=O)n(Cc3ncc(-c4ccc(F)cc4)o3)cnc21 8726207 FOBDGHXJPMWVPR-UHFFFAOYSA-N 325.303 1.972 0 40 EDAB COCc1ccccc1CNC(=O)CN1C[C@H](C(N)=O)CC[C@H]1C 71897054 NFCVQYXHWSDXSW-UKRRQHHQSA-N 333.432 1.035 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCN(Cc2nc(C3CC3)no2)CC1 71833217 RLDXURUIGMGSKV-UHFFFAOYSA-N 344.390 1.973 0 40 EDAB CCOc1ccccc1N1CCN(c2nc(O)c3cn[nH]c3n2)CC1 97163735 BECMOMCJQLKDDO-UHFFFAOYSA-N 340.387 1.784 0 40 EDAB Cc1ccc([C@@](O)(CC(=O)O[C@@H](C)C(=O)N(C)C)C(F)(F)F)o1 71916817 DKBJUJOCCRRIQK-ZANVPECISA-N 337.294 1.748 0 40 EDAB COc1ccc(C(N)=O)cc1NCC(=O)NCc1ccccc1C 71904279 MATYKHNJDOCRNO-UHFFFAOYSA-N 327.384 1.831 0 40 EDAB O=C1c2ccccc2C(=O)N1CCN1CCOC2(CCOCC2)C1 97228718 OSFWMMWYSIVCPH-UHFFFAOYSA-N 330.384 1.164 0 40 EDAB Cn1cc(C[C@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C2)cn1 95963002 XCNUWYUCHWOGCX-RHSMWYFYSA-N 344.459 1.460 0 40 EDAB Cc1c(C(=O)N[C@H](C)c2ccccn2)cnn1[C@@H]1CCS(=O)(=O)C1 95950124 DIHNXGKIVMNPAT-DGCLKSJQSA-N 348.428 1.437 0 40 EDAB COC[C@](C)(CCO)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 75107860 ROUILOXHOSBEIX-SFHVURJKSA-N 349.431 1.832 0 40 EDAB C[C@@H](NC(=O)c1cnns1)[C@@H]1CN(Cc2ccccc2)CCO1 75145765 CWXIVYOXNXRNKR-OCCSQVGLSA-N 332.429 1.557 0 40 EDAB Cn1nc2c(cc1=O)CN(CC(=O)Nc1cc(C(C)(C)C)no1)CC2 76064748 ILSBRUOEQLLSGI-UHFFFAOYSA-N 345.403 1.063 0 40 EDAB CC(C)C(=O)N1CC[C@H](N[C@@H]2CCN(CC(F)(F)F)C2=O)[C@@H](C)C1 76056393 VSTWPNGWOFPSOP-RWMBFGLXSA-N 349.397 1.632 0 40 EDAB CC1CCN(C(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)CC1 22230672 FVSHZGXBXOLPTI-UHFFFAOYSA-N 340.445 1.720 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4cscn4)[C@H]3C2)no1 306142559 XDIPLWFXKSCCBP-NJZAAPMLSA-N 348.428 1.316 0 40 EDAB O=C(CN1CCN(C(=S)NC2CCCCC2)CC1)[C@@H]1CCCN1 35191201 KTVGXOQCLJSFEW-HNNXBMFYSA-N 338.521 1.132 0 40 EDAB CCc1cnc(NC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)s1 1553072146 AZOROLZEUIPMCD-SNVBAGLBSA-N 338.433 1.200 0 40 EDAB Cc1cc(CCCC(=O)N2CCC3(CC2)NC(=O)NC3=O)ccc1F 72390410 KDVQSDPCORVKRG-UHFFFAOYSA-N 347.390 1.657 0 40 EDAB COc1c(-c2noc(C3CCNCC3)n2)cc2c(c1OC)OCO2 66088535 VVUIPQAOENUYTN-UHFFFAOYSA-N 333.344 1.950 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)CN(C)c1ccc(Cl)cn1)C2 72279173 XGTQXAAMGYZJKF-ZDUSSCGKSA-N 333.823 1.807 0 40 EDAB COc1cccc(SCC(=O)N2CCC[C@H](N3CCNC3=O)C2)c1 79044477 GSQXZCMWBZIGIA-ZDUSSCGKSA-N 349.456 1.804 0 40 EDAB CC(C)CNC(=O)C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 36601975 RUIDFZKNBYJBEJ-GFCCVEGCSA-N 347.371 1.202 0 40 EDAB Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCCO3)c(=O)[nH]1 62286080 SYBNNPZNVFERMD-UHFFFAOYSA-N 343.335 1.884 0 40 EDAB CC[C@@H](CO)N(C(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 217375530 KVUVBWWRDKZBRC-LSDHHAIUSA-N 325.430 1.016 0 40 EDAB O=C(NCC(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1 74779204 ZBRYGCNRQTXKMV-UHFFFAOYSA-N 338.407 1.794 0 40 EDAB CC(C)n1cnnc1CNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 79001392 WVWYMUVPNSEMSM-LLVKDONJSA-N 349.822 1.947 0 40 EDAB Cc1cc(N2CCO[C@@H](c3ccc(CCC(N)=O)cn3)C2)ncn1 72378795 XOVREFWJSNKISR-OAHLLOKOSA-N 327.388 1.176 0 40 EDAB CCn1nc(C)c(S(=O)(=O)NCc2nc3ccccc3n2C)c1C 72239084 PTPGOZGGGAOLOZ-UHFFFAOYSA-N 347.444 1.885 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1F 226744164 IABJYSVBVVBTSG-UHFFFAOYSA-N 343.332 1.449 0 40 EDAB Cc1n[nH]c(-c2ccc(C(=O)NC[C@H](C)CN3CCOCC3)cc2)n1 81432373 QVVBCUIZDDBDEU-ZDUSSCGKSA-N 343.431 1.478 0 40 EDAB CCOC(=O)c1nnn([C@H](CC)C(N)=O)c1-c1ccc2c(c1)OCO2 82237882 KIPVCYCOMUMMLT-SNVBAGLBSA-N 346.343 1.287 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2N)C1 225474009 HDCAQWPZWXWGLB-AGIUHOORSA-N 349.397 1.763 0 40 EDAB COC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 223809724 DTMJLLAZCLFFMG-VIFPVBQESA-N 326.399 1.758 0 40 EDAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@@](C)(O)CN1CCOCC1 195533929 DUDGJJZDPGTZSE-JENIJYKNSA-N 332.444 1.298 0 40 EDAB COc1cc(CN(C)C(=O)N[C@H]2[C@@H]3CNC[C@@H]32)ccc1OC(F)F 576254789 GPCLPDLQNMFRNX-YABSGUDNSA-N 341.358 1.656 0 40 EDAB CCCC(=O)N1CCC[C@H](c2nn(CCOC)c(=O)n2C2CC2)C1 77150229 LIDPRPGGFULMQL-ZDUSSCGKSA-N 336.436 1.532 0 40 EDAB Cc1cc(O)nc([C@H](C)N2CCN(C[C@H](O)c3ccccc3)CC2)n1 192574907 SIWLJRRVOOTPTE-RDJZCZTQSA-N 342.443 1.903 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)Cc3ccc(Cl)nc3)CC2)S1 96426973 JVHWAQGYEXYLGO-LLVKDONJSA-N 338.864 1.913 0 40 EDAB Cc1ccc(CN2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)o1 97953533 PQXSSMUITKSZLU-BMFZPTHFSA-N 342.399 1.711 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)O)o1 579589156 ZHSOGGXGNSKBEA-MRVPVSSYSA-N 341.389 1.238 0 40 EDAB CO[C@H]1C[C@@H](C(=O)N2CCn3c(nnc3-c3ccccc3)C2)N(C)C1 583619537 HSGHSFLNTZFTTD-GJZGRUSLSA-N 341.415 1.006 0 40 EDAB CC(C)C[C@@H](C)OC(=O)NCC1CCN(CC(=O)N(C)C)CC1 583651638 PTRADQPZJZNDPM-CQSZACIVSA-N 327.469 1.947 0 40 EDAB O=C(CCN1CCC[C@](O)(c2cnn[nH]2)C1)N1CCc2ccccc21 583617977 PPLUNEJSFBUUDO-GOSISDBHSA-N 341.415 1.068 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N(CC(F)(F)F)C2CC2)cn1 585088351 XIMGUGIWMRCWTK-UHFFFAOYSA-N 337.323 1.157 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3CN(Cc4csc(C)n4)C(=O)[C@H]3C2)[nH]n1 96245227 RKOOVBXBQWGKPC-YPMHNXCESA-N 345.428 1.214 0 40 EDAB CC(=O)[C@@H]1C[C@H](C(=O)OCCCNc2ccc3nccn3n2)C1(C)C 585086546 LMCPFGPVKJJXHT-UONOGXRCSA-N 344.415 2.326 0 40 EDAB C[C@H](c1cccnc1)N1CCN(CC(=O)NC[C@H]2CCCO2)CC1 96424729 MYLTVVICSSOORB-NVXWUHKLSA-N 332.448 1.055 0 40 EDAB CN(CC(=O)Nc1ccc(F)c(Br)c1)S(C)(=O)=O 96432192 FXUKXYQACJUCKI-UHFFFAOYSA-N 339.186 1.418 0 40 EDAB CCN1CCN(c2ccccc2CN2CC[C@@H](C(=O)OC)C2)CC1 96489899 AJLMKLDNDDMJCJ-QGZVFWFLSA-N 331.460 1.823 0 40 EDAB COC[C@@H]1CC2(CCN(CC3CC3)CC2)CN1S(=O)(=O)C1CC1 96218352 ZZOWHSSSYLKNMB-HNNXBMFYSA-N 342.505 1.692 0 40 EDAB O=C([C@H]1CCOC1)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 96245328 CFVSUQLMMTUZID-LZWOXQAQSA-N 332.375 1.279 0 40 EDAB O=C(C1CC1)N1CCC2(CCOC[C@@H]2COc2cnccn2)CC1 96206719 XAWFTYOOKHNSJI-OAHLLOKOSA-N 331.416 1.911 0 40 EDAB CC(=O)c1cn(CC(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)nn1 331746069 ICWFEYVWHZKPFF-ZDUSSCGKSA-N 347.444 1.960 0 40 EDAB CN1CC[C@H](N(C)C[C@H](O)COc2ccccc2C(F)(F)F)C1=O 96424548 WRQZTHDLZXHPDM-AAEUAGOBSA-N 346.349 1.608 0 40 EDAB CN1C[C@H](c2ccccc2)[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1=O 96161470 CDNLXVCKFGRSIS-GPMSIDNRSA-N 328.412 1.497 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)no1 96108961 LDMUQYPQNDDNLQ-CRAIPNDOSA-N 343.383 1.683 0 40 EDAB CCCOCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 585131585 ZRPXYRRMCNVITP-UHFFFAOYSA-N 349.431 1.580 0 40 EDAB CCc1ccccc1S(=O)(=O)NCCN=S1(=O)CCCC1 585114875 DEFSCZCUCLDHKR-UHFFFAOYSA-N 330.475 1.789 0 40 EDAB CN(C)CCn1ccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)n1 582310306 DXKSBHCVPZEDPT-MRXNPFEDSA-N 330.436 1.546 0 40 EDAB CCO/C=C/[C@](O)(CNC(=O)N[C@H](CC)COC)C(F)(F)F 585137169 LABOTIZECHSQPS-ZUOHBJSBSA-N 328.331 1.554 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@]2(C)CO)cc1 585114882 DFGJBNHBDCUSSY-CZUORRHYSA-N 327.446 1.490 0 40 EDAB O=C(O)Cn1nc2ccc(-c3nc(-c4ccccc4)no3)cn2c1=O 96530631 DUXQBOORSKUDHO-UHFFFAOYSA-N 337.295 1.298 0 40 EDAB CCS(=O)(=O)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1 96202227 IWZQJXMHCFCDOB-AWEZNQCLSA-N 345.490 1.017 0 40 EDAB CN(Cc1cncnc1)[C@@H]1CN(Cc2ccoc2)[C@@H]2CCCO[C@H]12 96064584 YCPISRPEAFXUTA-KURKYZTESA-N 328.416 1.933 0 40 EDAB C[C@H]1C[C@@H](NC(=O)NCCCn2cccn2)C(=O)N1c1ccccc1 96439189 AAUFBOUWTBZUSR-GOEBONIOSA-N 341.415 1.766 0 40 EDAB CN(C)CCN1CCO[C@@H]2CN(C(=O)c3cccs3)CC[C@@H]2C1 96249595 NQPPXFRFKSXLNG-HUUCEWRRSA-N 337.489 1.473 0 40 EDAB Cc1ccc(CN2CCC3(CC2)C[C@H](N2CCN(C)CC2)CO3)o1 96048842 IDPAZHFJPWPCJR-KRWDZBQOSA-N 333.476 1.959 0 40 EDAB CS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COCc2ccncc2)C1 96065144 IXDKEHHJWTXCSG-HZPDHXFCSA-N 340.445 1.429 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccc3nc[nH]c3c2)C[C@H]1c1cnn(C)c1 585655694 IFBHPTIPFJHNQV-GJZGRUSLSA-N 339.399 1.799 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@@H](CNC(=O)c4ccco4)CC[C@H]32)cn1 248158170 WGUDOSHJBBSDQT-BFYDXBDKSA-N 344.415 1.423 0 40 EDAB CCCS(=O)(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 249689820 JWWDDZFPGROXST-HOCLYGCPSA-N 337.445 1.150 0 40 EDAB Cc1ncsc1CN1Cc2ccnn2C[C@H](OCC(=O)N(C)C)C1 247968469 GYASVGNUWPKQFK-CQSZACIVSA-N 349.460 1.137 0 40 EDAB CCN(CC)C[C@H]1CC[C@@]2(COCCN(C(=O)c3cccn3C)C2)O1 248123973 LBXHERFXUOYOOQ-VQIMIIECSA-N 349.475 1.757 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H]1c1ccc(Br)cn1 257242893 IEPZTGJGBKOVCJ-NSHDSACASA-N 334.239 1.787 0 40 EDAB Cc1cc(-c2ccnn2C)nc([C@@H]2CCCCN2S(C)(=O)=O)n1 257320243 VVXMTTABLFLFQO-AWEZNQCLSA-N 335.433 1.672 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)n1 257312490 UOECHFUBIXRRPX-HNNXBMFYSA-N 342.399 1.344 0 40 EDAB Cc1cccc(N2CCC[C@@H](NC(=O)c3ccc(=O)n(C)c3)C2)n1 257345013 ZZONXRLONVPMCT-OAHLLOKOSA-N 326.400 1.488 0 40 EDAB O=C1CCCN1c1ccc(CN2CC[C@H](O)[C@]3(CCCO3)C2)cc1 257206814 BEZCFKDAOVWHRA-HKUYNNGSSA-N 330.428 1.929 0 40 EDAB O=C(c1cnccn1)N1CCC2(CCO[C@H]2Cc2cncnc2)CC1 257333419 YBLHGNLCRMUROF-INIZCTEOSA-N 339.399 1.521 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@]2(O)C=CCCC2)cc1 618257279 UMFGGKAHROMLBW-OAHLLOKOSA-N 340.401 1.614 0 40 EDAB COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3ccncn3)C2)s1 598563466 PYSLOFDGTRZGQO-SNVBAGLBSA-N 332.385 1.740 0 40 EDAB COc1nc(CNC(=O)c2ccc(OC)c(F)c2)nc(N(C)C)n1 575604184 UBKNSGMNDWIZKM-UHFFFAOYSA-N 335.339 1.024 0 40 EDAB O=C(N[C@H](Cc1ccncc1)C(=O)O)[C@@H]1COc2ccccc2C1 655601767 RRVLITRSHZTMCZ-LSDHHAIUSA-N 326.352 1.445 0 40 EDAB Cn1ccc(CC(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2cccnc2)n1 585108785 FEZJOHMTQAKGGN-LZLYRXPVSA-N 342.399 1.195 0 40 EDAB CNc1cnc(C(=O)N2CC[C@@](O)(COc3ccc(C)cc3)C2)nc1 585276874 PIRKVEWGTRTIOY-SFHVURJKSA-N 342.399 1.483 0 40 EDAB COCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2cccs2)C1 585095857 PLOJXJBTHMAYNR-ZDUSSCGKSA-N 348.428 1.181 0 40 EDAB CS(=O)(=O)NCC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21 585111766 BHBDDIDIUKJOSN-CQSZACIVSA-N 340.474 1.441 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(S(=O)(=O)C(C)C)CCO2)c1 585276020 LCEVSMSZIUCXDQ-MRXNPFEDSA-N 327.446 1.339 0 40 EDAB O=C(CN1CCCC[C@@H]1C(=O)N1CCOCC1)Nc1ccccc1 66893408 JEODEQIAICLHBD-MRXNPFEDSA-N 331.416 1.338 0 40 EDAB Cc1csc(-c2ccc(NC(=O)CCNS(C)(=O)=O)cc2)n1 69537519 JZQCWAMCQRCNLI-UHFFFAOYSA-N 339.442 1.996 0 40 EDAB CS(=O)(=O)NCCC(=O)NCc1csc(Br)c1 49475852 ONRVMAMVBMCKRB-UHFFFAOYSA-N 341.252 1.066 0 40 EDAB C[C@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1cccc(C(N)=O)c1 83966944 AUXXCWLMFBPKBJ-SFDCACGMSA-N 336.457 1.872 0 40 EDAB Cc1cc(CNC(=O)/C=C/c2cc3cnn(C(C)C)c3[nH]c2=O)no1 89604865 PNMIQKHPGROUOY-SNAWJCMRSA-N 341.371 1.932 0 40 EDAB CC(C)[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br 40489314 CNSAMPZQNHMINF-MRVPVSSYSA-N 349.250 1.871 0 40 EDAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)NCc1ccco1 238290 NILPHDQRFKMVRV-FNORWQNLSA-N 337.353 1.865 0 40 EDAB CCN1C(=O)[C@H]2CN(Cc3ccc(C)nc3)CCN2C12CCOCC2 1772595194 BDCHVMDSONDSKG-QGZVFWFLSA-N 344.459 1.245 0 40 EDAB C/C=C/Cn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CC)c(=O)n2C 12516450 URZKHXGPJAKQJR-SOFGYWHQSA-N 342.403 1.295 0 40 EDAB Cc1cnc(-c2nc(O)c3c(n2)CCN(C(=O)c2cccnc2)C3)cn1 13227888 MVDUXWVWSPEMDO-UHFFFAOYSA-N 348.366 1.541 0 40 EDAB C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(Cl)cc1F 150941210 ZDYFTBUVIUJCFI-MWLCHTKSSA-N 337.800 1.951 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)C(F)(F)Cl)s1 153119061 DAWWLINMSMIQOX-UHFFFAOYSA-N 332.781 1.283 0 40 EDAB O=C(NCc1cccc(Cn2cncn2)c1)N[C@@H]1C[C@H]2CC[C@H]1O2 108105371 SNSROOWNOIATCN-BZUAXINKSA-N 327.388 1.446 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)NC1(CN)CCOCC1 528056625 OWHFISVSIXYWDQ-UHFFFAOYSA-N 334.825 1.135 0 40 EDAB O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)NC[C@H]1CCCO1 5155088 LADHOPFGRPNGER-SSDOTTSWSA-N 337.323 1.176 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)NCc1ccc(NC(=O)C2CC2)cc1 10670855 BZLDFYYGFQTWMC-UHFFFAOYSA-N 348.428 1.854 0 40 EDAB Cc1nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2cnn(C)c2n1 1888890854 ICOCFZAWZDZLEJ-OLZOCXBDSA-N 336.399 1.457 0 40 EDAB O=C(c1cncnc1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037905580 JSXRWAUEQTUTKN-KRWDZBQOSA-N 331.347 1.662 0 40 EDAB CN1CCCC[C@]2(CN(C(=O)CCc3cccc(F)c3)CCO2)C1=O 2037985568 ODNICBBVKFRLFN-IBGZPJMESA-N 348.418 1.998 0 40 EDAB O=C1C[C@H]2[C@H](CCN2C[C@@H](O)CO)N1Cc1ccc(F)cc1Cl 1565541744 WRMATRFOPLDLIB-SNPRPXQTSA-N 342.798 1.008 0 40 EDAB Cc1ccc(C(=O)N2CCn3c(nc(CN4CCCC4)cc3=O)C2)o1 1565554448 ZZTJOXNPWWMUNZ-UHFFFAOYSA-N 342.399 1.397 0 40 EDAB O=C(c1csnn1)N1CCC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565551785 RZYZTKBUBJUXRO-ABAIWWIYSA-N 346.416 1.204 0 40 EDAB COc1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1 8568357 HMJPOIHSEWGOFS-UHFFFAOYSA-N 331.357 1.386 0 40 EDAB O=C(c1ccc(C(F)(F)F)cc1)N1CC(N2C(=O)[C@H]3C[C@@H]3C2=O)C1 585388753 YKKFTIUWNSRAAF-RYUDHWBXSA-N 338.285 1.535 0 40 EDAB COc1ccc(C(=O)N2CCCC[C@H]2c2cc(C(N)=O)[nH]n2)cn1 225557313 HEJHRSPNVFIJFW-ZDUSSCGKSA-N 329.360 1.280 0 40 EDAB CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2c(c1)OCO2 74915969 SIUSLZWJGJRJDR-UHFFFAOYSA-N 335.337 1.969 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@]1(O)CCOc2ccccc21 75158179 PYMPLMCZDGWGSG-QGZVFWFLSA-N 346.408 1.151 0 40 EDAB Cc1nc(CN2CCN(Cn3nc4ccccn4c3=O)CC2)cs1 30003277 DPWRHVWSMJTCOW-UHFFFAOYSA-N 344.444 1.036 0 40 EDAB CC1CCN(S(=O)(=O)NCc2ccnc(-n3cccn3)c2)CC1 40086249 FRBXWZRJWVTBAP-UHFFFAOYSA-N 335.433 1.334 0 40 EDAB CCS(=O)(=O)N1CCC(NCc2ccc(-n3ccnc3)cc2)CC1 30668208 FNQUGQILCWUWKI-UHFFFAOYSA-N 348.472 1.776 0 40 EDAB CC[C@]1(C)NC(=O)N(NC(=O)CN(C)[C@@H]2CCc3ccccc32)C1=O 40497707 KPVYMRMGKJJNOZ-KDOFPFPSSA-N 344.415 1.357 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CN(C)CC(=O)Nc2cc(C)on2)c1 40477671 GCKDCILUJAIZJQ-OAHLLOKOSA-N 347.415 1.910 0 40 EDAB Cn1ncc2c(=O)n(Cc3nc4ccccc4n3C(F)F)cnc21 31755074 VRRZCHXYXKSLAF-UHFFFAOYSA-N 330.298 1.923 0 40 EDAB O=C(CS(=O)(=O)Cc1nc(C2CC2)no1)N1CCc2ccccc21 40528720 DVDJZWXWKUXOCL-UHFFFAOYSA-N 347.396 1.451 0 40 EDAB COc1ccc(NC(=O)c2ccccn2)cc1OCC(=O)NC1CC1 40542362 VEJKMIIYKIHXKE-UHFFFAOYSA-N 341.367 2.000 0 40 EDAB CN(C)C(=O)CCS(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 40528939 UXIGMTUBTJRMDZ-UHFFFAOYSA-N 340.376 1.874 0 40 EDAB Cn1c(=O)ccn(CC(=O)N[C@H](c2cccs2)C2CCCC2)c1=O 31803197 VZXYQMUYZPOZKF-INIZCTEOSA-N 347.440 1.656 0 40 EDAB CCn1nc(C)c(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1C 20718203 AKBUHUIOJCXNEA-UHFFFAOYSA-N 325.372 1.686 0 40 EDAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1F 32409236 JQLQSACBKYQFNN-INIZCTEOSA-N 348.399 1.735 0 40 EDAB Cc1ccc([C@@](O)(CCNC(=O)c2cccc[n+]2[O-])C(F)(F)F)o1 52469974 GOJRJWGDKSFPGY-AWEZNQCLSA-N 344.289 1.791 0 40 EDAB CCc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 423435 VKEKYUZKSHASGC-UHFFFAOYSA-N 345.380 1.580 0 40 EDAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)O)ccc12 489186 MJYPAMOKFYGEPF-UWVGGRQHSA-N 333.340 1.712 0 40 EDAB biogenic CC(C)c1n[nH]c([C@@H]2CN(C(=O)Cc3ccn(C(C)C)n3)CCO2)n1 78894297 HMKDSIOHRRASOK-AWEZNQCLSA-N 346.435 1.848 0 40 EDAB Cc1n[nH]c([C@H]2CN(CCn3c(=O)oc4ccccc43)CCO2)n1 78892349 PGGFUCAQIRECBW-CQSZACIVSA-N 329.360 1.095 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)OCc2nc3ccccc3o2)CC1 22870869 MRWLCENCQOAJIO-UHFFFAOYSA-N 338.385 1.543 0 40 EDAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3C(=O)O)ccc21 814689 UMKQUTSSISIOSJ-UHFFFAOYSA-N 348.336 1.631 0 40 EDAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)N2CCCC2)c1C 4550054 VKFJOSSDTGMSIM-LBPRGKRZSA-N 336.388 1.976 0 40 EDAB COc1ccc(S(=O)(=O)CCc2nnc(NC(C)=O)s2)cc1 4954367 WKIRUBQLESRZJU-UHFFFAOYSA-N 341.414 1.522 0 40 EDAB COc1ccc(-c2ccc(=O)n(CC(=O)NCC3CC3)n2)cc1OC 4968253 HFTRCBYXFSPRCO-UHFFFAOYSA-N 343.383 1.454 0 40 EDAB Cc1cc(C)c(OCC(=O)OCC(=O)NC[C@@H]2CCCO2)c(C)c1 6551952 QYAIKGLABSRFHG-HNNXBMFYSA-N 335.400 1.829 0 40 EDAB O=C(NCC[C@H]1CCCO1)c1ccc(CN2C(=O)CCC2=O)cc1 23189676 UJTGINHETSZSAX-OAHLLOKOSA-N 330.384 1.635 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)c2ccccc2)C1=O 23640756 CTUBUDOEPIKASC-GFCCVEGCSA-N 346.383 1.912 0 40 EDAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N2CCNC2=O)cc1C 24271700 GHYWTPBGFDJKKF-LLVKDONJSA-N 346.416 1.312 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nc2c(s1)CCC2 102884949 OYVAPILGWVVVGA-PHIMTYICSA-N 345.424 1.912 0 40 EDAB COc1ccccc1CCC(=O)N1CCN(c2cnccn2)CC1 25342649 JVBJNLZAWIIJCY-UHFFFAOYSA-N 326.400 1.767 0 40 EDAB COC(=O)c1c(NC(=O)CN2CCOC[C@@H]2C)sc2c1CCC2 26451084 DSLHOTHGRIVEIF-JTQLQIEISA-N 338.429 1.683 0 40 EDAB CCCC[C@@H](CC)C(=O)Nc1ccn(CC(=O)N2CCN(C)CC2)n1 95399040 FMJQXDHOWARXMT-OAHLLOKOSA-N 349.479 1.812 0 40 EDAB COc1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)C2CC2)CC1 24593327 WQTXCSKMIDVZRZ-CYBMUJFWSA-N 331.416 1.576 0 40 EDAB O=C(c1cnc2n(c1=O)CCS2)N1CCC[C@H]1c1ccncc1 27278331 UVPZXLVWGRQMFX-ZDUSSCGKSA-N 328.397 1.721 0 40 EDAB Cn1ccnc1CCNC(=O)c1ccc(OCC(F)(F)F)nc1 58014597 WOOOUWWZXVHNDY-UHFFFAOYSA-N 328.294 1.729 0 40 EDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1CCOC[C@H]1C 58193358 OWXXQRZBACYLLF-CYBMUJFWSA-N 338.429 1.531 0 40 EDAB C[C@H]1Cc2ccccc2N1CCNC(=O)N1CCC[C@H](CC(N)=O)C1 84718123 JSBHDOZLSWYYMR-LSDHHAIUSA-N 344.459 1.735 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)N3CCOC[C@H]3C)CC2=O)cc1OC 44912258 AYAJZRRTMPIACV-OLZOCXBDSA-N 348.399 1.304 0 40 EDAB C[C@@H](C(=O)NCc1cccnc1-n1cncn1)n1cnc2ccccc21 44943187 PAJZFYLYFPJYQO-ZDUSSCGKSA-N 347.382 1.889 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)N[C@H]1CCCCNC1=O)CC2 44967974 YBMGUNPTXQGQJE-AWEZNQCLSA-N 347.415 1.440 0 40 EDAB C[C@H](COCC(F)(F)F)NC(=O)c1ccnc(-n2cncn2)c1 58341455 NZNAXSFGMCAIKQ-SECBINFHSA-N 329.282 1.360 0 40 EDAB Cc1nc(C(=O)N2CCC[C@H](C(N)=O)C2)nn1-c1ccccc1Cl 58300674 XOUCKPJIBAMUNI-NSHDSACASA-N 347.806 1.567 0 40 EDAB C[C@@H]1CN(C(=O)CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)CCO1 10909444 DEYNSRCYCPDZMU-VXGBXAGGSA-N 349.362 1.230 0 40 EDAB O=C1CN(Cc2ccco2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 55408438 JEZRKQQYUXLFQO-JKSUJKDBSA-N 346.408 1.294 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c(C)c1 95457680 AQSPPIPUIYKFMP-CJNGLKHVSA-N 341.429 1.620 0 40 EDAB CCCc1sc(C(=O)OCC(=O)NCC(=O)OC)cc1CC 11877622 UINFYBVHBOLZBI-UHFFFAOYSA-N 327.402 1.709 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCC(CC(N)=O)CC1)C1CCCCC1 46313383 BKFZNEBUJKFLBR-MRXNPFEDSA-N 338.496 1.794 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)c1cccnc1N1CCOCC1 46406278 FWOCEJRQLAMVMH-UHFFFAOYSA-N 330.388 1.795 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)c2ccc(-n3cccn3)cc2)CC1 46567151 LJVHMAGCYALCCW-UHFFFAOYSA-N 348.428 1.026 0 40 EDAB CC1(C)NC(=O)N(CCCN2CCN(c3ccc(F)cc3)CC2)C1=O 48367518 QYUJMVKBXOKJDP-UHFFFAOYSA-N 348.422 1.668 0 40 EDAB O=C(NC[C@@H]1CN(c2ncccn2)Cc2ccnn2C1)c1cccnc1 306127078 FOCJJFPVBOEQLJ-CQSZACIVSA-N 349.398 1.135 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1CCN(CCc2ccccn2)CC1 95475936 UKLGUYKLKPCFCT-UHFFFAOYSA-N 341.459 1.741 0 40 EDAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1 13260572 LFFHOQVMXCECRV-JKSUJKDBSA-N 344.411 1.401 0 40 EDAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c(OC)c1 3904272 SWOWERSPGPHXIA-CQSZACIVSA-N 336.344 1.218 0 40 EDAB Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)no1 96000516 GWRJFGBQVNQOIJ-GFCCVEGCSA-N 343.792 1.794 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 96004191 UIMRRYSFYBRJOR-SECBINFHSA-N 338.351 1.302 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccsc2)CC1 65403974 UQBSUZXDZBSRQJ-AWEZNQCLSA-N 333.461 1.861 0 40 EDAB CNC(=O)CN1CCC(NC(=O)N2CCC[C@H]2c2ccncc2)CC1 65400254 PGTRXFKAXVVMMK-INIZCTEOSA-N 345.447 1.139 0 40 EDAB CC(=O)NCC1CCN([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)CC1 65554378 FTQSDHGQHOJAAA-ZDUSSCGKSA-N 335.452 1.212 0 40 EDAB Cc1cccc([C@@H](CC(=O)N(CC(N)=O)C2CCCC2)NC(N)=O)c1 65531581 IPONPBBJVIECKI-OAHLLOKOSA-N 346.431 1.351 0 40 EDAB CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cccnc2)c1 65532760 HWKGKVPDSBNWDG-UHFFFAOYSA-N 348.384 1.664 0 40 EDAB Cc1cc(NCC(=O)N2CCc3ccccc3C2)ccc1-n1cnnn1 65566055 OHESRSUDFPTWKO-UHFFFAOYSA-N 348.410 1.968 0 40 EDAB CN(CCN1CCCC1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 65562227 HABIJDDLFJOEFL-UHFFFAOYSA-N 339.461 1.105 0 40 EDAB Cc1ccc(N([C@@H](C)C(=O)NCc2ccccn2)S(C)(=O)=O)cc1 4749359 GGELITUDEXVKRI-AWEZNQCLSA-N 347.440 1.861 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1CN1CCCCC1 75506320 CIDWRXABSNLLRT-HUUCEWRRSA-N 333.432 1.875 0 40 EDAB C[C@@H](C(=O)NC(N)=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66851252 JMWZOVDAXNFVMB-UFBFGSQYSA-N 346.214 1.950 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cc1 71796536 OPXYAHWAEMYXFQ-CQSZACIVSA-N 333.413 1.764 0 40 EDAB CCN1C[C@H](C)[C@H](NS(=O)(=O)c2cc(OC)c(OC)cc2F)C1 76058502 PZWCOHRKEIZOGX-CMPLNLGQSA-N 346.424 1.461 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)CN1CC(n2cc(C)cn2)C1 71876760 OZEIEPOSJMGDSJ-AWEZNQCLSA-N 328.416 1.934 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CCOC[C@@H]1CCCO1 71847434 JELZSSMMAWABLL-HOCLYGCPSA-N 333.384 1.703 0 40 EDAB Cc1ccc(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)cc1C 71821169 CZDXEHUOSBASCX-OAHLLOKOSA-N 345.399 1.271 0 40 EDAB CN(CC(=O)Nc1ccncc1)C[C@@H]1CCCN1c1cccnn1 71860070 SUTBMYWYHVWVDC-HNNXBMFYSA-N 326.404 1.411 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCC1=CCCCC1 7988507 CGZDFCFPUMWIFD-UHFFFAOYSA-N 327.384 1.697 0 40 EDAB C[C@@H]1CCCC[C@H]1OCC(=O)NCC1CCN(S(C)(=O)=O)CC1 71903541 FJNIOQUCZABVCF-UKRRQHHQSA-N 346.493 1.370 0 40 EDAB O=C(Nc1cc(-n2nnnc2C2CC2)ccc1F)N1CCC[C@H](O)C1 71921431 NJYKILFYODRYGX-LBPRGKRZSA-N 346.366 1.667 0 40 EDAB O=C(N[C@@H]1CCCS(=O)(=O)C1)c1sccc1Br 69144808 OUJPTJPPDFYTKM-SSDOTTSWSA-N 338.248 1.818 0 40 EDAB CCN1CCN(c2ccc(C(=O)N[C@H](C)C(=O)N(C)C)cc2)CC1 70018988 NJTCAVKITDTMCD-CQSZACIVSA-N 332.448 1.035 0 40 EDAB CCNC(=O)C1CN(C(=O)COc2ccccc2Br)C1 95978983 GIVCZPVKVAESBA-UHFFFAOYSA-N 341.205 1.422 0 40 EDAB Cc1cccc(OCCNC(=O)Cn2nc(-c3ccco3)oc2=O)c1 9690041 YGNMQPMUXULKGJ-UHFFFAOYSA-N 343.339 1.600 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2ccc(S(C)(=O)=O)cc2)CC1 69349809 IOCUMPODUJMXMS-CQSZACIVSA-N 340.489 1.273 0 40 EDAB O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCCc1ccsc1 69392482 GGTDPOGMTJSGLO-OAHLLOKOSA-N 334.445 1.004 0 40 EDAB COc1c(CNCCS(=O)(=O)NC(C)(C)C)c(C(C)C)nn1C 69487802 JOXFFPYSTXYIIZ-UHFFFAOYSA-N 346.497 1.360 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H](C)C(=O)N2CCSCC2)ccc1F 69435879 JBYFROAJZCPIEK-LLVKDONJSA-N 346.449 1.376 0 40 EDAB O=c1onc(-c2ccccn2)n1CCS(=O)(=O)c1ccccc1 69461434 IWZSWBKPBYDZBV-UHFFFAOYSA-N 331.353 1.372 0 40 EDAB CCOC(=O)CSC1=NC(C)=C(C(N)=O)[C@H](c2ccccc2)N1 408986726 DEWFQFZICZZIMQ-AWEZNQCLSA-N 333.413 1.743 0 40 EDAB COCCOc1cc2c(cc1CN[C@H]1CCc3ncnn3C1)OCO2 69521155 PDKRCURJISFRRS-ZDUSSCGKSA-N 346.387 1.137 0 40 EDAB c1cncc(-c2noc(CN3CCC[C@@H](Cn4cncn4)C3)n2)c1 69622478 FRCQLBQSEWZESK-CYBMUJFWSA-N 325.376 1.635 0 40 EDAB COc1cc(-c2nc(-c3cccnc3)no2)sc1S(N)(=O)=O 95945688 CPQNXMCTKBRQIV-UHFFFAOYSA-N 338.370 1.516 0 40 EDAB COc1cc(=O)n(Cc2nnc(C3CC3)o2)cc1Br 95979991 PEGATWXTNKDWSH-UHFFFAOYSA-N 326.150 1.928 0 40 EDAB Cc1cccc2nc(CN3CCN(c4ccc5nncn5n4)CC3)cn12 69878771 JWEHHKKIXWTHQV-UHFFFAOYSA-N 348.414 1.403 0 40 EDAB CN(C)C[C@H]1CN(CC(=O)N(Cc2ccsc2)C2CC2)CCO1 69818977 VQLUGIGUUMUCSK-INIZCTEOSA-N 337.489 1.502 0 40 EDAB Cc1cccn2cc(CN3CCN(c4ccc5nncn5n4)CC3)nc12 69952158 ZGCBYNONYGQXPX-UHFFFAOYSA-N 348.414 1.403 0 40 EDAB CC(C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)C(N)=O 69900380 BYRDSULPPXSKDX-WCQYABFASA-N 337.445 1.226 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)on2)cc1 8751946 BGHMWVKFQCJNBP-UHFFFAOYSA-N 339.373 1.251 0 40 EDAB Cc1cc([C@@H]2CCCN(CCn3nc4ccccn4c3=O)C2)n[nH]1 84111243 ICUADFQBNNEYQV-CQSZACIVSA-N 326.404 1.407 0 40 EDAB C[C@@H](C(=O)N1CCOCC1)N(C)CC(=O)Nc1ccccc1Cl 8753405 SJVJFZDRJQNCJA-LBPRGKRZSA-N 339.823 1.458 0 40 EDAB COC(=O)[C@@H](O)C1CCN(Cc2cn(C)nc2-c2cccs2)CC1 97034017 RPKKAMSJPCYSFV-INIZCTEOSA-N 349.456 1.895 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)C[C@H]2CCS(=O)(=O)C2)no1 76043964 KMUZEHRJJKMKOH-MNOVXSKESA-N 327.406 1.120 0 40 EDAB O=C(NCc1cccc(-n2cncn2)c1)C(=O)Nc1ccccc1F 72287746 HLAMPYJDPZPFQU-UHFFFAOYSA-N 339.330 1.661 0 40 EDAB C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3ccsc3)cn2)C[C@@H](C)O1 72295851 YANDZLLWXMGCIX-VXGBXAGGSA-N 348.428 1.833 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)no1 72231939 ZWANWQNJDOPSQP-LBPRGKRZSA-N 342.355 1.729 0 40 EDAB C[C@H]1Oc2c(cccc2C(=O)N2CCC[C@H](n3cncn3)C2)NC1=O 72235130 KIKOCTLEBYWHOA-NEPJUHHUSA-N 341.371 1.475 0 40 EDAB O=C(O[C@H]1CCOC1=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 84397791 GZIDEYDGPFGDHU-ZFWWWQNUSA-N 349.358 1.466 0 40 EDAB CN(CC(N)=O)C(=O)CCc1cc(Cl)ccc1Br 79531861 VIYXKGAHRPNILH-UHFFFAOYSA-N 333.613 1.979 0 40 EDAB CCn1ccnc(N2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)c1=O 548334445 MUVBMVZZMADJHM-INIZCTEOSA-N 347.444 1.270 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CS[C@H]2CCCCNC2=O)o1 78555806 UNOHEZIKQUSGTA-NSHDSACASA-N 332.447 1.432 0 40 EDAB COc1cc2c(cc1F)CC[C@H]2NC(=O)N1C[C@@H](OC)C[C@H]1CO 503145387 DBBUNFLJLZGDJM-SLEUVZQESA-N 338.379 1.613 0 40 EDAB COc1cccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1O 39489321 TZJNDJAGUOZDDO-UHFFFAOYSA-N 341.319 1.854 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccc(-n3cc(C)cn3)cc2)CC1 71881807 JLOCSGIOXJANGS-SFHVURJKSA-N 342.443 1.709 0 40 EDAB C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)C(C)(C)S(C)(=O)=O 79045005 UPKJEXWVUKQGCG-GFCCVEGCSA-N 326.462 1.623 0 40 EDAB COC(=O)c1cc(C)nc(N2CCN(c3ccccc3OC)CC2)n1 71195434 ADAXSCLZQFILGR-UHFFFAOYSA-N 342.399 1.907 0 40 EDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NC1CCCCC1 72406407 RLSKOZBWFAIKGW-AWEZNQCLSA-N 339.461 1.922 0 40 EDAB Cc1nc([C@H]2CN(C)CCO2)cc(N(C)CCn2ccnc2C)n1 72387092 OGIMUSKPYRMJLE-MRXNPFEDSA-N 330.436 1.429 0 40 EDAB CC[C@H](Cc1ccccc1)c1nc(-c2ncn(CC(N)=O)n2)no1 545790660 PZPRJMMVDCNNSN-GFCCVEGCSA-N 326.360 1.550 0 40 EDAB CCc1nc([C@H]2CCCN2Cc2cccc(OCC(N)=O)c2)no1 72279376 BKAGJXQVXSSARJ-CQSZACIVSA-N 330.388 1.833 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N(Cc1ccco1)c1ccc(F)cc1 78914922 LUVKQQYQGBJAFE-UHFFFAOYSA-N 343.314 1.502 0 40 EDAB COCCCN1CCCN(c2ncccc2-c2nc(C)no2)CC1 78302404 ALUALNPLFWFCPC-UHFFFAOYSA-N 331.420 1.989 0 40 EDAB C[C@H](NC(=O)NCC(=O)N1CCCCC1)C(=O)Nc1ccccc1 78988679 MFDIDZUAWWBCMX-ZDUSSCGKSA-N 332.404 1.325 0 40 EDAB O=C(NCCc1cscn1)[C@H]1CSCN1C(=O)C1CCCC1 46153376 YGWSIASMPJHSCL-CYBMUJFWSA-N 339.486 1.894 0 40 EDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCc1ccc(-n2cccn2)cc1 135505487 BTMGIDJWVWBLCP-BBRMVZONSA-N 335.429 1.512 0 40 EDAB C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NC[C@@H]1Cc2ccccc21 195571473 ZFRIOTJBDWGWOI-HOCLYGCPSA-N 331.460 1.813 0 40 EDAB CCN(CC)c1ncc(CN2CC[C@H](C)S(=O)(=O)CC2)s1 192051935 XKRZMJLKUIFVIR-LBPRGKRZSA-N 331.507 1.998 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2nccs2)cc1 223280912 YVSSOLYHTKZGIX-UHFFFAOYSA-N 327.387 1.069 0 40 EDAB COc1ccc([C@H](CC(=O)NCC(C)(C)C)NS(C)(=O)=O)cc1 225954053 QCGSOIBNBACIQU-AWEZNQCLSA-N 342.461 1.838 0 40 EDAB Cc1c(C(=O)NCc2csc(=O)[nH]2)nnn1Cc1ccc(F)cc1 193268371 FACROEVSCOLGSP-UHFFFAOYSA-N 347.375 1.454 0 40 EDAB Nc1ncc2c(n1)CN(CC1(N3CCOCC3)CCCCC1)C2=O 41123021 JTFPMQKCAAFVDG-UHFFFAOYSA-N 331.420 1.050 0 40 EDAB COc1ccnc(N2CCN(Cc3ccsc3C(=O)O)CC2)n1 573009055 NGSGETVRULKDLX-UHFFFAOYSA-N 334.401 1.567 0 40 EDAB CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Br)c(C)c1 42646165 AUOPXQXCAZIISL-VIFPVBQESA-N 329.194 1.583 0 40 EDAB Cc1ccccc1C[C@@H](CO)NC(=O)C[C@@H](C)N1CCCCC1=O 194215866 GSOQKINHSGGDKL-WBVHZDCISA-N 332.444 1.806 0 40 EDAB Cn1ccnc1CN1C[C@H](OCc2nc3ncccc3[nH]2)[C@H](F)C1 96112153 QDCSVEAQYBLUFF-YPMHNXCESA-N 330.367 1.431 0 40 EDAB biogenic,in-vitro COc1ncccc1CN1CC[C@H]2C[C@H](C(=O)NC(C)C)O[C@H]2C1 96043138 VEWYCRUHKOMZBX-IMJJTQAJSA-N 333.432 1.594 0 40 EDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H](C)S(C)(=O)=O)c1 330695590 DGTDAHISBIKPPD-SMDDNHRTSA-N 341.429 1.800 0 40 EDAB Cn1cc(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cn1 96055431 WDWBBSZZBRXXEX-BHYGNILZSA-N 328.416 1.874 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC2)OCC(=O)N(CC2CC2)[C@H]3C)no1 96201586 CBEBKYOAGREMTE-ZDUSSCGKSA-N 347.415 1.615 0 40 EDAB CCS(=O)(=O)N1C[C@H]2CC[C@@]3(N=C(C)N(CC(C)C)C3=O)[C@H]2C1 96261553 ZXXODXFXMKXREK-IJEWVQPXSA-N 341.477 1.333 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CN(Cc2ccco2)C[C@H]2OCC[C@H]21 96041172 VDZTZZSQWZCHDC-OKZBNKHCSA-N 341.411 1.828 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1cccnc1N1CCCCC1)CC2 97198400 JRKXBNSXBGCVOE-AWEZNQCLSA-N 340.431 1.717 0 40 EDAB Cn1cc([C@@H]2COC3(CCN(C(=O)c4cnccn4)CC3)C2)cn1 96073053 DIKBHRUXZKKXRX-ZDUSSCGKSA-N 327.388 1.389 0 40 EDAB Cn1cccc1C(=O)N1CCc2ncnc(N3CCCC3)c2CC1 96058726 MTURCABKXLRRPJ-UHFFFAOYSA-N 325.416 1.656 0 40 EDAB COc1cc(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)O)ccc1F 581413959 IDAWSHFOAMBVPW-NSHDSACASA-N 347.364 1.087 0 40 EDAB CCc1ncnc(N2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)c1F 96489032 VSRNSYIOPYSJMQ-AWEZNQCLSA-N 349.454 1.701 0 40 EDAB COCC(=O)NC[C@]12COC[C@H]1CN(Cc1cccc(Cl)c1)C2 96108406 BQJZDNWIPGMZQC-PBHICJAKSA-N 338.835 1.551 0 40 EDAB COC(=O)c1ccc([C@H]2CC(=O)NS2(=O)=O)c(Br)c1 90513319 SNXNWXVHQBYUIX-SECBINFHSA-N 348.174 1.127 0 40 EDAB CNS(=O)(=O)CC(=O)N(Cc1cc2c(s1)CCC2)C(C)C 95409333 CREPHOYKHKFGHM-UHFFFAOYSA-N 330.475 1.523 0 40 EDAB COc1cc(=O)n2c(c1C(=O)NCc1ccnc(N(C)C)c1)CCC2 245060705 PWZVMPQSBYVKFF-UHFFFAOYSA-N 342.399 1.194 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Cc1n[nH]c2ccccc12 245338931 PKCKBHWSVFBLFX-BNBDDXAPSA-N 327.384 1.809 0 40 EDAB Cc1c[nH]cc(Br)c1=NC(=O)COC[C@H]1CCCO1 585125554 XCKLBARUCHFWOV-SNVBAGLBSA-N 329.194 1.709 0 40 EDAB Cc1cccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)c1C 242898040 GPVSQNMRSJGNOH-UHFFFAOYSA-N 336.413 1.979 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 247406332 OPDLGRLTSKKLMS-BTFPBAQTSA-N 329.352 1.321 0 40 EDAB CN1C(=O)CO[C@H]2CCN(C(=O)CCc3cccc(F)c3)CC[C@@H]21 257324194 WNQPCODRLBSXBQ-HOTGVXAUSA-N 334.391 1.607 0 40 EDAB Cc1nnsc1C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C 253473636 WVQFLSWGFVWWDU-UHFFFAOYSA-N 339.402 1.230 0 40 EDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)Cn1ccc(C(F)(F)F)n1 257260052 LBDRXYDKZMQJQD-JTQLQIEISA-N 343.309 1.534 0 40 EDAB CCCn1nccc1-c1nccnc1[C@@H]1CCCN1S(C)(=O)=O 257316052 VDXLZWHYUGGJIN-ZDUSSCGKSA-N 335.433 1.847 0 40 EDAB C[C@@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)C(C)(C)CN(C)C 252511304 ZXLUXTARBJKQGA-OAHLLOKOSA-N 341.544 1.288 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)nc1 270995881 JLUISEWITHPKSX-AWEZNQCLSA-N 339.417 1.283 0 40 EDAB Cn1cc(S(=O)(=O)N2C[C@H](N)C3(CCC3)C2)c(C2CCCC2)n1 1615058504 NYXCEJVZMPCIJY-AWEZNQCLSA-N 338.477 1.580 0 40 EDAB Cn1c(C(C)(C)NC(=O)CN2CCC(CO)CC2)nc2ccccc21 1615590814 QCFNRIXRYQSKGN-UHFFFAOYSA-N 344.459 1.629 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@@]3(OC(C)C)CCOC3)CC2)nc(C)n1 1615572094 QNDVFOCFTSDGFX-GOSISDBHSA-N 348.447 1.326 0 40 EDAB CCn1c(C)cc2[nH]nc(NC(=O)c3cc(OC)ns3)c2c1=O 585141400 UHCQEJMVYYRLAP-UHFFFAOYSA-N 333.373 1.770 0 40 EDAB Cn1ccc(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)cc1=O 585276169 KRBJRSBXZKRLGB-SFHVURJKSA-N 328.368 1.041 0 40 EDAB Cc1cccc(COC[C@@H]2CN(C)C3(C2)CN(Cc2cn[nH]c2)C3)n1 585093754 CHVKNRKXJVZCAW-INIZCTEOSA-N 341.459 1.836 0 40 EDAB COCCNC(=O)[C@H]1CN(C(=O)c2cc(C)cc(C)c2)[C@@H]2CCO[C@H]12 585109062 RPRGYNNNLMBDOE-GVDBMIGSSA-N 346.427 1.296 0 40 EDAB O=S(=O)(NCc1nnc2n1CCC2)C1=Cc2ccccc2CC1 65400228 CWOVQQXJUPOALS-UHFFFAOYSA-N 330.413 1.631 0 40 EDAB NC(=O)C1(NC(=O)CN2C(=O)CSc3ccccc32)CCCC1 69817361 YCAHADRXMGNMMN-UHFFFAOYSA-N 333.413 1.040 0 40 EDAB O=C(c1n[nH]c2c1CCC2)N1CCCN(Cc2cscn2)CC1 69843564 LINZHDCWRUPQGT-UHFFFAOYSA-N 331.445 1.703 0 40 EDAB O=C1CCCN1C[C@@H]1CCCCN1C(=O)c1nnc2ccccc2n1 1548525252 HDWUSDJVKHOPBF-ZDUSSCGKSA-N 339.399 1.642 0 40 EDAB Cc1ccc(CN(C(C)C)S(=O)(=O)c2cc(C(N)=O)n(C)c2)o1 55268137 ZSZXSZKISQFZBO-UHFFFAOYSA-N 339.417 1.625 0 40 EDAB CC[C@@H](O)CN1CCC(NC(=O)c2noc(-c3cccnc3)n2)CC1 95443117 ZOUNIXKAHUVKDG-CQSZACIVSA-N 345.403 1.097 0 40 EDAB COC[C@](C)(CC(=O)O)NC(=O)CNC(=O)CCC1CCCC1 95989859 NNZSDHZCVRXQJE-INIZCTEOSA-N 328.409 1.069 0 40 EDAB CC(=O)NCCCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 95961595 JUEZJGOOPORKGS-UHFFFAOYSA-N 345.443 1.182 0 40 EDAB Nc1ccc2c(NCCCNC(=O)c3ccc(F)cc3)ncnc2n1 90092328 HWFUXWIVCHTXTO-UHFFFAOYSA-N 340.362 1.978 0 40 EDAB C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)nc1)N1CCN(C)CC1 101643791 GEDQYZAIURKNBM-NSHDSACASA-N 346.353 1.597 0 40 EDAB CN(C)c1ccnc(N2CCN(c3ncnc4sccc34)CC2)n1 301722013 KBLWYFPYTIYNCA-UHFFFAOYSA-N 341.444 1.874 0 40 EDAB CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCC[C@@H](c2ccncc2)CC1 1616001665 YZASAACZWSZDGN-BMFZPTHFSA-N 340.445 1.395 0 40 EDAB O=C1C[C@@H](NS(=O)(=O)c2ccccc2F)CN1c1ccccc1 5221826 PPPAZIRMIFJZOW-GFCCVEGCSA-N 334.372 1.910 0 40 EDAB COc1ccccc1CNC(=O)CSc1ccc(NC(C)=O)nn1 11738748 WIJLIWYPTFOCOJ-UHFFFAOYSA-N 346.412 1.852 0 40 EDAB Cc1ccc(=O)n(CC2(O)CCN(Cc3c(F)cccc3F)CC2)n1 13226925 RWPVZKXGPJAKOF-UHFFFAOYSA-N 349.381 1.857 0 40 EDAB Cn1cc(CN2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)cn1 13265476 PQKQXRSGXOYOHN-UHFFFAOYSA-N 347.444 1.116 0 40 EDAB Cc1nccn1CC1(O)CCN(C[C@@H](O)c2ccc(F)cc2)CC1 19287933 CIKFPAWFCMJKNL-QGZVFWFLSA-N 333.407 1.891 0 40 EDAB O=C(NCc1nnc(-c2ccncc2)o1)c1ccc2c(c1)OCCO2 19345555 WFFDRNWLUOGEIQ-UHFFFAOYSA-N 338.323 1.833 0 40 EDAB CCn1cc(CN2CCN(C(=O)[C@H]3CC(=O)OC3(C)C)CC2)c(C)n1 19524566 FXCNGYREOQWSGD-OAHLLOKOSA-N 348.447 1.197 0 40 EDAB CN(C)c1cc(CCNC(=O)c2ccncc2)nc(-c2ccccn2)n1 19584303 SIUJFROQMITWFM-UHFFFAOYSA-N 348.410 1.972 0 40 EDAB CN(CCNC(=O)C(F)(F)Cl)S(=O)(=O)c1cccs1 153118312 KJUCSSGFBDDRNG-UHFFFAOYSA-N 332.781 1.316 0 40 EDAB CC(C)(C)n1nnnc1CN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 521393949 NQTGLANOZLEBFV-GJZGRUSLSA-N 326.448 1.996 0 40 EDAB CCCCCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 5147987 IUNZMJNNMWCKOR-GFCCVEGCSA-N 346.435 1.771 0 40 EDAB COc1ccccc1CNC(=O)CCCN1C(=O)NC(C)(C)C1=O 10030752 XMYBKOGEOMWKAG-UHFFFAOYSA-N 333.388 1.422 0 40 EDAB CC(C)[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NC(N)=O 5677563 CXFAUCHMUVHIER-JTQLQIEISA-N 337.380 1.922 0 40 EDAB CCCNC(=O)CN(C)C(=O)CSc1nc(-c2ccccc2)n[nH]1 6879640 WXYBSMNROYZMAA-UHFFFAOYSA-N 347.444 1.548 0 40 EDAB Cc1nnc(N2CC(NC(=O)Cc3cn(C)c4ccccc34)C2)s1 1888881803 JZMOREUDAVXBTR-UHFFFAOYSA-N 341.440 1.886 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cccc2cccnc12 23887133 UTLQNOYJYMRCHH-AWEZNQCLSA-N 333.413 1.987 0 40 EDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCOCC1 24165062 RKYNHJXFMBICOE-UHFFFAOYSA-N 325.796 1.069 0 40 EDAB COc1nccn2c(CNC(=O)CCSc3ccccc3)nnc12 238868743 MJQYBRPHRVJXRP-UHFFFAOYSA-N 343.412 1.932 0 40 EDAB Cc1ncc(C(=O)N2CCC(O)(COc3ccccc3)CC2)cn1 2037909019 MWKRUGRGFJPXGJ-UHFFFAOYSA-N 327.384 1.831 0 40 EDAB COCCN1CCC2(C1)CN(C(=O)c1ccc3c(ccn3C)c1)C2 1565545842 MUQVJVSJCGSOLL-UHFFFAOYSA-N 327.428 1.973 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1cccc(C(C)=O)c1 15862601 GUTKVOHNUFTJPV-UHFFFAOYSA-N 337.357 1.590 0 40 EDAB CCOC(=O)CNC(=O)COc1cccc2c(=O)n(CC)ccc12 16689933 UHZDEUWCISWPJJ-UHFFFAOYSA-N 332.356 1.080 0 40 EDAB COCCNC(=O)C1(n2cccn2)CCN(C(=O)C(C)(C)C)CC1 2055782136 PXJXRNKSRKTBGJ-UHFFFAOYSA-N 336.436 1.010 0 40 EDAB CC(C)(C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055713789 LQSZLRWHYKSEMS-CYBMUJFWSA-N 332.448 1.748 0 40 EDAB Cc1ccc(CNC(=O)Cn2ccn(-c3ccccc3)c(=O)c2=O)cc1 20488753 ZRDHEHFSFRAAEH-UHFFFAOYSA-N 349.390 1.624 0 40 EDAB O=C(NCC1CCN(Cc2ccco2)CC1)C(=O)Nc1ccon1 23127472 QMLDQSXPAFVECR-UHFFFAOYSA-N 332.360 1.235 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(c2nc3cnccc3s2)CC1 2086865026 BNJZQPSYQOYVJN-GFCCVEGCSA-N 333.461 1.726 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)N1CCN(C[C@H](O)c2ccco2)CC1 85436747 SGJPPDTWXWVIQX-RDJZCZTQSA-N 344.411 1.925 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCN1CCc2ccccc2C1 30634624 CBCLQGBNMWDUBH-YOEHRIQHSA-N 329.444 1.323 0 40 EDAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(OC)nc2)cc1 40287843 CVSSGHHJLZBRTF-UHFFFAOYSA-N 329.356 1.396 0 40 EDAB O=C(Cn1nnn(-c2cccs2)c1=O)c1ccc2c(c1)OCCO2 40494170 CKRWQLWKWGWZQF-UHFFFAOYSA-N 344.352 1.145 0 40 EDAB COc1cccc(CCC(=O)NC2CCN(S(C)(=O)=O)CC2)c1 40497322 MALXJQWLHNEOOV-UHFFFAOYSA-N 340.445 1.168 0 40 EDAB Nc1nonc1-c1noc(-c2ccc(NC(=O)C(F)(F)F)cc2)n1 108120 ZRQZRLRVFXLWSU-UHFFFAOYSA-N 340.221 1.870 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)NCc3ccccn3)CC2=O)cc1 220272 KFPJQBNZNLJKJG-OAHLLOKOSA-N 339.395 1.755 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 21063839 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COC(=O)C[C@H]1CCCCN1CC(=O)NCCc1ccc(F)cc1 54394551 ZYFSEPQRSLCCAZ-MRXNPFEDSA-N 336.407 1.902 0 40 EDAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cnccn3)sc2c1 1002465 LTFGNQZMRDTDQE-UHFFFAOYSA-N 334.382 1.742 0 40 EDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl 24686135 HGEGYBGSMNQTBC-LLVKDONJSA-N 334.800 1.768 0 40 EDAB Cc1cc(N2CCN(C(=O)c3ccoc3C)CC2)n2ncnc2n1 24766797 VADPNTYERLQHAC-UHFFFAOYSA-N 326.360 1.297 0 40 EDAB O=C1CCCN1C[C@H](O)CS(=O)(=O)Cc1ccc(Cl)cc1 1391312 KJSKVDOGVAXUJW-ZDUSSCGKSA-N 331.821 1.238 0 40 EDAB Oc1nncc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1Cl 54219795 KHJWYYLGPWRYGL-UHFFFAOYSA-N 348.790 1.887 0 40 EDAB Cc1cc(C(=O)N2CCC(N3CCNC3=O)CC2)c2c(C)noc2n1 55786280 WRAXQMGGHUPQHN-UHFFFAOYSA-N 343.387 1.469 0 40 EDAB Cn1ccc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1=O 25464936 ZLRPKXHRUYVQFG-UHFFFAOYSA-N 339.439 1.952 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1cnn(-c2ccccc2)n1 56017646 DMBBKXPNDBASQS-HOQBHHMFSA-N 339.399 1.393 0 40 EDAB CCOc1ncccc1C(=O)OCC(=O)NCc1ccccc1OC 3248296 HCTUEWGQUMFNIY-UHFFFAOYSA-N 344.367 1.962 0 40 EDAB NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCO[C@H](c2ccccc2)C1 107311277 IKKIVJMROFAIFB-DLBZAZTESA-N 339.395 1.996 0 40 EDAB CCc1ncc(NC(=O)N2CCN(Cc3ccccn3)CC2)cn1 97163343 HTMCGYOUDBWEOS-UHFFFAOYSA-N 326.404 1.784 0 40 EDAB Cc1cnc2c(S(=O)(=O)N3CCC[C@@H]3C(=O)N(C)C)cccc2c1 12632646 LLFVNKZWOSEAQP-CQSZACIVSA-N 347.440 1.785 0 40 EDAB Cc1[nH]sc(=N)c1C(=O)OCC(=O)NCc1ccccc1Cl 12688946 PDSIRDWUPLNXRP-UHFFFAOYSA-N 339.804 1.991 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 12684683 BLAAEFSLNBNDPA-GFCCVEGCSA-N 339.392 1.115 0 40 EDAB CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(F)c1 101308851 NBGFLGQHPIBCHE-HUBLWGQQSA-N 340.420 1.897 0 40 EDAB Cc1c(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cnn1C 103508048 OAFCXRAKTZWPOZ-TZMCWYRMSA-N 344.758 1.674 0 40 EDAB Brc1ccc(Cc2nnnn2CCn2cncn2)cc1 84404893 YNLHIVOGBBTYJA-UHFFFAOYSA-N 334.181 1.318 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(c2ncnc3[nH]cnc23)CC1 58182756 NYSRCRYADZGCMY-UHFFFAOYSA-N 336.399 1.553 0 40 EDAB CC[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 48280122 RXYXJQLGMBZRGH-JSGCOSHPSA-N 326.418 1.633 0 40 EDAB O=C(CN1CCC(c2ccnn2CCO)CC1)NCc1cccs1 58292627 BNFDUKJKLUPJKY-UHFFFAOYSA-N 348.472 1.433 0 40 EDAB Cc1cc(=O)c(C(=O)N2C[C@H](C)OC[C@@H]2C)nn1-c1ccccc1F 44909501 CJWNJJFIKKEXTJ-STQMWFEESA-N 345.374 1.929 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)[C@@H](C)CO1 44909639 YFOOTIRCTYJTBX-QWRGUYRKSA-N 338.791 1.701 0 40 EDAB CCOC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccc(C(C)=O)cc2)C1 12727857 NFPBPMIUEGCUDJ-DLBZAZTESA-N 349.427 1.904 0 40 EDAB CNc1snc(C)c1C(=O)NC[C@H]1CN(CC(C)C)CCO1 28017780 TYYVHXKXMXVUAJ-LBPRGKRZSA-N 326.466 1.580 0 40 EDAB C[C@H](CNC(=O)c1ccc(N2CCOCC2)cc1)CN1CCCC1 58412471 UIJXJLQPINAZLY-MRXNPFEDSA-N 331.460 1.985 0 40 EDAB CC[C@H](CO)NCC(=O)Nc1ccc(I)cc1 3338868 GXTINYKNUJLWKT-SNVBAGLBSA-N 348.184 1.590 0 40 EDAB COC(=O)c1ccc([C@@H]2[C@@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 20113189 YRDBVESBSOGABM-DODZYUBVSA-N 346.379 1.691 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCO[C@@H]2CCCC[C@H]2C)C[C@@H](C)O1 46036818 UTGDNZXBNUAGRF-APIJFGDWSA-N 334.482 1.525 0 40 EDAB FC(F)(F)c1nnc2ccc(N3CCN4CCCC[C@@H]4C3)nn12 46406884 FPRKRONHPFDENK-SNVBAGLBSA-N 326.326 1.818 0 40 EDAB CCOCCOc1c(Cl)cccc1NC(=O)NCC(=O)N(C)C 63398176 YHZPZZUYWGDOIZ-UHFFFAOYSA-N 343.811 1.965 0 40 EDAB CCN(CC)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244548 DIZWNLCUKMDFKF-UHFFFAOYSA-N 341.477 1.785 0 40 EDAB Cc1ccc(NC(=O)c2ccc(NCCNS(C)(=O)=O)nc2)cc1 72281390 PWHHJKZMSJLMGV-UHFFFAOYSA-N 348.428 1.603 0 40 EDAB COc1ccc(CCC(=O)N(C)CCN2CCOCC2)cc1OC 65496109 BCWYWTUJLHVFEO-UHFFFAOYSA-N 336.432 1.427 0 40 EDAB CN(C)c1ncnc2c1CN(CC(=O)NCc1ccccc1F)CC2 65475312 DHOJOVOWENTJAT-UHFFFAOYSA-N 343.406 1.356 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)c4ccccc4O)CC3)ncnc21 14086026 XBTBMLQNMOAPKX-UHFFFAOYSA-N 338.371 1.031 0 40 EDAB CN1CCN(C[C@@H]2CCCN(C(=O)NCCc3ccccc3)C2)CC1 65540010 QBNQEPQBJKSMTA-IBGZPJMESA-N 344.503 1.898 0 40 EDAB CS(=O)(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 65585746 YQSCUWATQDQWSQ-LLVKDONJSA-N 329.397 1.619 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c(=O)[nH]1 14190691 CYGCCHLAGHFQSI-LRDDRELGSA-N 328.368 1.836 0 40 EDAB C[C@H](NC(=O)Cn1nnc2ccccc21)c1ccc(-n2cncn2)cc1 14135013 OSMWQHIGXCTUTK-ZDUSSCGKSA-N 347.382 1.889 0 40 EDAB O=C(CN1CCN(C(=O)Cc2cccc(F)c2)CC1)NCC1CCC1 95394188 UCIFKDVEEBUXKI-UHFFFAOYSA-N 347.434 1.429 0 40 EDAB Cn1c(-n2ncc(N3CCOCC3)c(Cl)c2=O)nc2ccccc21 6664532 MZADXWNLEHXRCP-UHFFFAOYSA-N 345.790 1.609 0 40 EDAB COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1NC(C)=O 4835014 AQCUVTMJGWIORS-UHFFFAOYSA-N 344.433 1.747 0 40 EDAB CCN1C[C@H](CN(C)C(=O)CN2CCSC2=O)Oc2ccccc21 7257434 IPAJDWRJFMTSIN-ZDUSSCGKSA-N 349.456 1.901 0 40 EDAB CN(C)CCN(c1ccccc1)S(=O)(=O)C[C@H]1CCCCO1 68905570 HZROHNMQJHQLMJ-MRXNPFEDSA-N 326.462 1.954 0 40 EDAB CN1CCN(CC2CCN(C(=O)c3ccc4nccn4c3)CC2)CC1 69156218 UUVQKDNGZQRSCQ-UHFFFAOYSA-N 341.459 1.434 0 40 EDAB OCCN1CCC(CNCc2ccnc(-c3ccccc3)n2)CC1 69370657 AEFABSOTJJYURP-UHFFFAOYSA-N 326.444 1.938 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)C=C(C)C)CC2)cc1 8380521 AMFMTVZLRIRXKD-UHFFFAOYSA-N 338.429 1.494 0 40 EDAB C[C@@H]1CN(C(=O)CCC(=O)N2CCOc3ccccc32)[C@H](C)CO1 69490674 PAYPWENMDQQRRP-ZIAGYGMSSA-N 332.400 1.828 0 40 EDAB Cc1c(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)nnn1-c1ccccc1 71829499 HJLMTHASASYALN-AAEUAGOBSA-N 327.388 1.302 0 40 EDAB CCN1CCN([C@@H](C)CNC(=O)c2cn(-c3ccccc3)nn2)CC1 71853863 GOUOVCSMUYDXLE-HNNXBMFYSA-N 342.447 1.023 0 40 EDAB C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)CN(C)C(=O)OC(C)(C)C 71894440 MATCAVVVMIRFTO-NEPJUHHUSA-N 348.465 1.040 0 40 EDAB CC(C)(C)c1ncc(C(=O)NCC2(C(N)=O)CCOCC2)s1 71827026 DTMDYCKTZZZHGE-UHFFFAOYSA-N 325.434 1.453 0 40 EDAB CCOCCN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 69658545 GRIGBYYVCHYAMU-SFHVURJKSA-N 331.460 1.660 0 40 EDAB O=C(CCNC(=O)c1ccco1)Nc1nc(-c2ccccc2F)n[nH]1 71890761 GQZQCRXZOLGGAU-UHFFFAOYSA-N 343.318 1.962 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)N[C@@H]1CCCc2ccccc21 69740463 OSROEISDLLEKRQ-GOEBONIOSA-N 325.416 1.376 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)CCSc2ccccc2)CC1 69776146 QSMQEJGYVFVQLM-UHFFFAOYSA-N 342.486 1.709 0 40 EDAB Cc1cc(Br)ccc1NC(=O)CN1CCC(=O)NC1=O 69704154 QSIXNRKQJWZWSQ-UHFFFAOYSA-N 340.177 1.638 0 40 EDAB O=C(COc1cccnc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69738424 AJDRGEUEJUVORB-GOSISDBHSA-N 341.411 1.338 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)CC1 71841360 QLLLICHBYFAPQR-HZPDHXFCSA-N 343.431 1.473 0 40 EDAB Cc1ccccc1OC[C@H](O)CN1CCN(Cc2cnn(C)c2)CC1 69816677 GEWDUMXEUTTYIN-GOSISDBHSA-N 344.459 1.286 0 40 EDAB CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCCC3)c2)CCO1 69869834 NDYUAAVEDSUQAW-MRXNPFEDSA-N 331.416 1.863 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCO[C@H]2CCCC[C@H]21 71805023 VNKYVIDSFLPBJK-WBVHZDCISA-N 327.384 1.567 0 40 EDAB COc1cn(CC(=O)Nc2ccc3cc[nH]c3c2)c(CO)cc1=O 70666511 XSDGRKPLRZGNNJ-UHFFFAOYSA-N 327.340 1.469 0 40 EDAB biogenic COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N(C)C)C2)c(C)c1F 96501618 XWRZTTLWASXYFS-NWDGAFQWSA-N 330.425 1.904 0 40 EDAB C[C@@H](Sc1ccc2c(c1)CCC2)C(=O)N[C@H]1CCS(=O)(=O)C1 8745306 SEZPLCTUNIEFAX-RISCZKNCSA-N 339.482 1.959 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 8733987 HOSJJMCVBFEOJF-UHFFFAOYSA-N 337.228 1.846 0 40 EDAB CCOC(=O)CCNC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 71920122 ODNPUUADKUUMOQ-UHFFFAOYSA-N 346.387 1.559 0 40 EDAB O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc2ccccc2c1 84606032 OHWKKURLKRHPSV-SJORKVTESA-N 346.452 1.981 0 40 EDAB CCN(C[C@H]1CN(Cc2cnc(C)s2)CCO1)c1cccnn1 84774675 CLVVLKYBZVAZDO-CQSZACIVSA-N 333.461 1.969 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)Cc2cccs2)co1 95439667 FHURVNRAJJSSPA-SNVBAGLBSA-N 342.442 1.952 0 40 EDAB CNC(=O)NCC(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 95445120 HXKZLPYIRUYLON-UHFFFAOYSA-N 346.431 1.023 0 40 EDAB O=C(NCCc1nnc(-c2ccccc2)o1)N[C@H]1CCCC[C@H]1O 95431863 TVQYTSMCINWKGB-UONOGXRCSA-N 330.388 1.882 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N2CCC[C@H]2c2nncn2C)n1 95453668 VPGJFXCJIYNQBO-WFASDCNBSA-N 345.451 1.811 0 40 EDAB O=S1(=O)CC[C@@H](N2CCN([C@H]3CCc4c(F)cccc43)CC2)C1 95992422 LQYKECMLVYFGPK-DYVFJYSZSA-N 338.448 1.618 0 40 EDAB CC[C@H](NCC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)C(C)C 95941175 QUNVQZRPJQPKGJ-AWEZNQCLSA-N 341.477 1.914 0 40 EDAB O=C(NCCCO)c1ccc(NCc2nnsc2Cl)cc1 89116586 WFPKTTGLELUQOK-UHFFFAOYSA-N 326.809 1.916 0 40 EDAB CN(C(=O)c1[nH]nc2c1CCCC2)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 89334955 VNLLZLJEBHMJDJ-KGLIPLIRSA-N 339.461 1.716 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)n1 75128663 APOZZRCYQBKVOM-NSHDSACASA-N 342.325 1.609 0 40 EDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCC(c2n[nH]c(C3CC3)n2)CC1 75138941 ZMNVQNCLYPYMCM-WFASDCNBSA-N 347.463 1.545 0 40 EDAB CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)O 136342141 KNTVOOKRMLJSKO-ZOWXZIJZSA-N 333.388 1.086 0 40 EDAB Cc1cccc(CC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)c1 217720039 HAVXUZKQOBLFQX-IRXDYDNUSA-N 338.407 1.700 0 40 EDAB CC(C)N(C(=O)[C@H](C)N)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79393147 VJVKIBGBZNNWJW-GOEBONIOSA-N 333.432 1.982 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 218399699 GURMLFBGOVMKKE-KURKYZTESA-N 331.437 1.872 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)N2CCS(=O)(=O)C[C@@H]2C)c1 73891346 TVHYUDJVJRHPNG-ZDUSSCGKSA-N 333.413 1.440 0 40 EDAB CCOc1cc(C(=O)NCCN2CCOCC2)nn1-c1ccccc1 72264716 LHDHVDVXLPFONJ-UHFFFAOYSA-N 344.415 1.333 0 40 EDAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCN1CCN(C)CC1 216382555 CLGFDAUTARQOFH-SFHVURJKSA-N 349.475 1.606 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN3CCCC[C@@H]23)C1 525399638 WXQIYMWEKNPESD-XGUBFFRZSA-N 343.493 1.268 0 40 EDAB O=C(NCCN1CCCCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 46854887 UEUKENXQRUTNEQ-GOSISDBHSA-N 343.471 1.680 0 40 EDAB COc1nn(C)cc1C(=O)NCC(=O)Nc1nc2ccccc2s1 49030626 WFGNFJFAGIWAHR-UHFFFAOYSA-N 345.384 1.407 0 40 EDAB Cc1nn(-c2ccccc2)cc1NC(=O)N[C@@H]1CCc2ncnn2C1 190378746 BLIGUGJAXBOVIB-CYBMUJFWSA-N 337.387 1.909 0 40 EDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1Br 42646288 HIJOGJAGGFPEHP-SECBINFHSA-N 329.194 1.583 0 40 EDAB Cc1noc(C)c1Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2 40283454 PECVHTDGTIAONV-UHFFFAOYSA-N 325.328 1.686 0 40 EDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCc1c(C)nn(C)c1C)O2 40779445 DDNMIFMLACWCTQ-GOSISDBHSA-N 342.399 1.751 0 40 EDAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1cccc(F)c1 224156204 FCRPYACXVIWUHN-UHFFFAOYSA-N 336.392 1.694 0 40 EDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccccc2F)c1=O 222663043 CCSDOQTXCVPPLF-UHFFFAOYSA-N 335.335 1.205 0 40 EDAB COc1c(C(=O)Nc2cc(C)nn2C)nnn1Cc1ccccc1 96183442 OVKDFQXOVVLLAZ-UHFFFAOYSA-N 326.360 1.629 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@@H](c2cccc(O)c2)c2c(O)n[nH]c2C[C@@]1(C)O 95101356 DNCJJLVEVNKBAQ-DHSIGJKJSA-N 346.383 1.828 0 40 EDAB O=C(NC1CC(F)(F)C1)[C@]12COC[C@H]1CN(Cc1cccnc1)C2 96110142 GIOZUSACWXQESO-CZUORRHYSA-N 337.370 1.444 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(Cc3ccncc3)C[C@@H]12 96038620 CTCGRNJVUXRTFJ-BZUAXINKSA-N 339.399 1.205 0 40 EDAB COCCNC(=O)C[C@]12COC[C@H]1CN(Cc1cc(C)ccc1C)C2 96206285 UGGAHXAHMKQOES-QUCCMNQESA-N 346.471 1.905 0 40 EDAB COc1c(C(=O)N2CCN(C)CC2)nnn1Cc1ccc(C)cc1 96183368 MXZLPDANMIYBCN-UHFFFAOYSA-N 329.404 1.031 0 40 EDAB O=S(=O)(C1CC1)N1CCC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048416 FNCSAXLWFJIEAX-DOMZBBRYSA-N 338.433 1.004 0 40 EDAB CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)C1(N2CCOCC2)CCCC1 97101674 CRAVWYAIWUXMQU-CVEARBPZSA-N 325.497 1.865 0 40 EDAB CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@]2(CC(=O)N(C)C2)C1 97952737 QIAFADXYJREGIU-GOSISDBHSA-N 333.407 1.338 0 40 EDAB CCN1C[C@]2(CC1=O)CN(Cc1ccoc1)CCN(C(=O)N(C)C)C2 96062580 JQPCOARKIJOILB-SFHVURJKSA-N 348.447 1.317 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)CCn2cncn2)cc1 583616218 WGKPMZVQUVYWRR-WMZOPIPTSA-N 344.415 1.576 0 40 EDAB O=C(CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O)NCc1ccccc1F 583614723 RWKVNPDTVWAMQQ-OIISXLGYSA-N 336.407 1.304 0 40 EDAB COc1cc(N2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)ncn1 96100062 PXJUWXUHPBYFDF-VKJFTORMSA-N 342.399 1.833 0 40 EDAB Cn1cccc1C(=O)N1CC[C@H]2[C@@H](CC1)OCCN2c1cccnc1 96249445 NFGQAZZILPKZQO-FUHWJXTLSA-N 340.427 1.930 0 40 EDAB COc1cccc(-n2cc(NC(=O)c3ncn(C(C)(C)C)n3)nn2)c1 585125732 DDUVSHMSCPRWPF-UHFFFAOYSA-N 341.375 1.875 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CC1 585121810 AVRLENDIIWJOTO-GDBMZVCRSA-N 334.416 1.922 0 40 EDAB CO[C@H]1COCC[C@@H]1N1CCN(C(=O)c2cc(Cl)cn2C)CC1 585088335 WDVNZKWMNZFHKG-ZFWWWQNUSA-N 341.839 1.240 0 40 EDAB Cn1cc(CN2CCC3(CC[C@@H](C(=O)N4CCCC4)OC3)CC2)cn1 96224925 JDLMPKMCJSIIOC-KRWDZBQOSA-N 346.475 1.804 0 40 EDAB COCCN1CC2(CCN(C(=O)C(C)C)CC2)[C@@H](COC)C1=O 96218322 CZPSPCCYKNMPKJ-AWEZNQCLSA-N 326.437 1.002 0 40 EDAB O=S(=O)(C1CC1)N1CCC2(CC1)CO[C@H](COCC1CC1)C2 96106030 YLEVGLDYEGINPB-AWEZNQCLSA-N 329.462 1.776 0 40 EDAB O=C(N1CCOCC1)N1Cc2nccn2C[C@H](COCC2CC2)C1 96187937 YIWAULDJJYGWDB-HNNXBMFYSA-N 334.420 1.194 0 40 EDAB CN1CC[C@H](COCC2CC2)CC12CN(C(=O)c1ccnnc1)C2 248090437 CBUCETHIJRGTTC-HNNXBMFYSA-N 330.432 1.440 0 40 EDAB CNC(=O)[C@H]1COC2(CN(Cc3ccccc3C)C2)CN1CC1CC1 248142709 GAZIKNGMQLFMHQ-GOSISDBHSA-N 343.471 1.406 0 40 EDAB O=C(O)CCCC(=O)N1C[C@@H](O)[C@@H](Cc2ccnc3ccncc23)C1 257272051 NAXAJENZKZBXKX-XJKSGUPXSA-N 343.383 1.247 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CC[C@H]2OCC(=O)N(C)[C@H]2C1 257270162 MTALNUNXPRXYKV-GOEBONIOSA-N 332.400 1.004 0 40 EDAB Cc1cc(C)n2ncc(CN3CCO[C@@H](c4cccc(N)n4)C3)c2n1 257257842 KRHPBKBTQXYHBO-MRXNPFEDSA-N 338.415 1.897 0 40 EDAB C[C@H](C(=O)N1CCN(C)CC1)n1cc(COc2ccccc2)nn1 257173636 SZTNFZDUMZMWOT-CQSZACIVSA-N 329.404 1.192 0 40 EDAB COCCN1C(=O)CO[C@H]2CCN(C(=O)C3CCCCC3)CC[C@@H]21 257208179 BLBPKLRRPUMHIS-HOTGVXAUSA-N 338.448 1.432 0 40 EDAB O=C([C@@H]1CN(c2ccc(F)cc2)CCN1)N1CCC(F)(F)CC1 257331822 XUKKOVKPBDMOKW-AWEZNQCLSA-N 327.350 1.862 0 40 EDAB CN(C(=O)c1n[nH]c2c1CCC2)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257292251 QKQWGLKJLAQPDJ-JFIYKMOQSA-N 341.411 1.941 0 40 EDAB CC(C)Cc1cc(C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)on1 257267394 MHCJXPRXAZDIIS-QGZVFWFLSA-N 345.403 1.034 0 40 EDAB CN(CC(=O)N[C@@H]1CCCN(c2ccccn2)C1)Cc1cccnc1 257338527 YXVGYOIGMKTBNB-QGZVFWFLSA-N 339.443 1.694 0 40 EDAB Cc1ccc(C2=NN(/C=C3\SC(=O)NC3=O)[C@H](C(=O)O)C2)cc1 256027852 GIFSAWNRPQAZGR-ZWIPKHHJSA-N 331.353 1.682 0 40 EDAB CNC(=O)c1cc(C[C@@H]2CCCN(Cc3ccccn3)C2)ncn1 257306008 SSMMWMGLXQTPBE-AWEZNQCLSA-N 325.416 1.686 0 40 EDAB CN(C(=O)CC1CC1)[C@@H]1CCC[C@H](N2CCC(C(=O)O)CC2)[C@H]1O 257328932 XHRMHZDOXKHHQK-VYDXJSESSA-N 338.448 1.324 0 40 EDAB CCc1cc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)no1 257248746 JEZWFBIWHLDFOM-KRWDZBQOSA-N 330.388 1.393 0 40 EDAB O=C(O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 1602168836 AUUHSWYUPIIENL-OUCADQQQSA-N 335.310 1.604 0 40 EDAB CCOc1ccccc1NC(=O)Cn1nc(C(F)(F)F)n(C)c1=O 85470745 FVORWIWUIGOJDQ-UHFFFAOYSA-N 344.293 1.638 0 40 EDAB C[C@@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)c1cc(C(=O)O)ccc1F 1604690833 BFKMOYZUCBUMCU-PSASIEDQSA-N 345.348 1.398 0 40 EDAB CN(C)CCN1CCN(C(=O)CCc2cc(F)ccc2F)CC1 52985014 LXVHUZAULVTQCL-UHFFFAOYSA-N 325.403 1.603 0 40 EDAB C[C@@]1(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)CCC(=O)NC1 606444883 KOCNWJWYNBCAAQ-KBXCAEBGSA-N 327.384 1.991 0 40 EDAB CN(C)C(=O)COc1ccccc1C(=O)N1CC[C@](C)(N(C)C)C1 1615586254 LLXWICRMMASZFR-SFHVURJKSA-N 333.432 1.320 0 40 EDAB O=C(O)[C@H](Cn1cccn1)NS(=O)(=O)C1=Cc2ccccc2CC1 1615571321 JANGHDZTDUOZGQ-HNNXBMFYSA-N 347.396 1.243 0 40 EDAB Cc1nc(C[C@@H]2CCCN(C(=O)[C@@]34CNC[C@@H]3COC4(C)C)C2)no1 1616038366 GPABCXJGMPDALI-PMUMKWKESA-N 348.447 1.174 0 40 EDAB CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@@H]1CCCOc2c(Cl)cccc21 1616037857 MYSQQPNKCZDDOS-MGPQQGTHSA-N 345.848 1.955 0 40 EDAB COC(=O)C1CCN(c2nnnn2CCc2ccc(Cl)cc2)CC1 1616036697 SMDISKJTTJWEOH-UHFFFAOYSA-N 349.822 1.959 0 40 EDAB CC[C@](CNC(=O)C(=O)NCc1ccco1)(OC)c1ccccc1 96392032 CDUSIQGDXGJJBW-GOSISDBHSA-N 330.384 1.964 0 40 EDAB Cn1ccc2cc(CCNC(=O)C(=O)NCc3ccco3)ccc21 390829601 FICIVCLSCMJIFQ-UHFFFAOYSA-N 325.368 1.746 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@@H](CNC(=O)c3ccno3)CO2)C1 575404534 NVNJZLDEAAGMPI-AGIUHOORSA-N 333.388 1.068 0 40 EDAB Cc1ccccc1CN1Cc2ccnn2[C@H](CNS(C)(=O)=O)C1 585112630 SGXCHBJSRSECRK-MRXNPFEDSA-N 334.445 1.298 0 40 EDAB Cn1cc(N2CC[C@@]3(CCCN(C(=O)C4(F)CCC4)C3)C2=O)cn1 585100949 KQRXVJRWXWBAKV-MRXNPFEDSA-N 334.395 1.658 0 40 EDAB Cc1ccccc1CN1CC2(CC[C@@H](CNS(C)(=O)=O)CO2)C1 585103514 BOBPGYZVDJDQGY-HNNXBMFYSA-N 338.473 1.525 0 40 EDAB CCN1CC[C@]2(CN(C(=O)c3cc(OC)no3)CC(F)(F)C2)C1=O 585093449 XFQCVLRIAZAMMD-AWEZNQCLSA-N 343.330 1.403 0 40 EDAB O=C(Cc1ccncc1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585275954 BSCQUCBHUKSSBK-IBGZPJMESA-N 326.396 1.457 0 40 EDAB COC[C@]1(CC(N)=O)CN(Cc2cc3cc(OC)ccc3[nH]2)CCO1 585278208 NGMBHBKXBHIGMB-SFHVURJKSA-N 347.415 1.269 0 40 EDAB COCCN(CC(N)=O)C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 69619517 MYQPVBOVFBFPOV-SNVBAGLBSA-N 348.321 1.433 0 40 EDAB O=S(=O)(c1cccs1)N1CCN(CCc2ccncc2)CC1 35335157 NVCWAOXVAIWHTD-UHFFFAOYSA-N 337.470 1.692 0 40 EDAB c1ccc(-c2ccc(N3CCN(c4nncs4)CC3)nn2)nc1 1776009061 SQOWKAKWIQNGDU-UHFFFAOYSA-N 325.401 1.717 0 40 EDAB Cc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc(C)c1O 103088522 ULWQZDZPNCNYTQ-TVXJZBATSA-N 331.437 1.983 0 40 EDAB C[C@H](NC(=O)CSc1nccn1C)c1nnnn1-c1ccccc1 75139812 ZNFDROALBMYLIV-NSHDSACASA-N 343.416 1.365 0 40 EDAB C[C@@H](C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)S(C)(=O)=O 106097257 XEKSIABZXZRVBS-UTUOFQBUSA-N 341.433 1.067 0 40 EDAB NC(=O)NC(=O)CN1CCC[C@@H]1[C@@H]1CCCN(Cc2ccccc2)C1 106160329 ONWDBBYWDFZNKM-IAGOWNOFSA-N 344.459 1.558 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3ccc4c(c3)nc(C)n4C)CCO2)n1 78890133 IMHZCKUJLFTBIU-HNNXBMFYSA-N 340.387 1.522 0 40 EDAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1Cc3cncnc3C1)CS2 96369944 CXSKBMBWEHBZBF-GFCCVEGCSA-N 343.412 1.229 0 40 EDAB CC[C@H](CO)N1CCN(C(=O)Cc2c(Cl)cccc2OC)CC1 97143288 FMBIBDFRPQMRCF-CYBMUJFWSA-N 340.851 1.806 0 40 EDAB NC(=O)N1CCCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 98012740 NUQZZEVEVWLLPZ-AWEZNQCLSA-N 336.823 1.532 0 40 EDAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 6011447 ZEWOHFMRWVXVNY-ONEGZZNKSA-N 347.154 1.989 0 40 EDAB CN1C[C@@H](C(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)CC1=O 12086969 XNEFYEFZTCRWQH-ZFWWWQNUSA-N 344.411 1.654 0 40 EDAB Cc1cc(C)n(CCCN(C)S(=O)(=O)N2CCC(C)CC2)n1 19719785 KFJJZEIXZXRDOQ-UHFFFAOYSA-N 328.482 1.799 0 40 EDAB CC1CCN(c2cccc(NC(=O)C(=O)N(C)CCN(C)C)c2)CC1 154780471 KGCVTLUGPOLCKQ-UHFFFAOYSA-N 346.475 1.881 0 40 EDAB CC(=O)N1CCN(Cc2cccc3[nH]ccc23)C[C@H](C(=O)N(C)C)C1 607853325 LAIJIVUIRFJLIE-INIZCTEOSA-N 342.443 1.536 0 40 EDAB O=S(=O)(CCC(F)(F)F)N1CCC[C@H](Oc2ncccn2)C1 575605667 RUBQCHQENNXHJT-JTQLQIEISA-N 339.339 1.602 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1cccs1)N(C)C 36079594 BOCKEHDAIDNWSQ-LLVKDONJSA-N 329.447 1.934 0 40 EDAB CCCCOC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 4787622 WEKJSEISRFNYCD-KRWDZBQOSA-N 348.355 1.526 0 40 EDAB O=C(NCCn1nnc2ccc(F)cc2c1=O)c1c(F)cccc1F 245093498 RQVIIPDJGSHACK-UHFFFAOYSA-N 348.284 1.639 0 40 EDAB CN(C1CCN(c2ncnc3cnccc23)CC1)S(=O)(=O)C1CC1 2086988585 GZGBFRVZJQIESP-UHFFFAOYSA-N 347.444 1.418 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCC(N3CC[C@@H](OC)C3)CC2)cc1 1565523474 OEUNIVMPBKRXLN-QGZVFWFLSA-N 346.427 1.799 0 40 EDAB Cc1nc(C(=O)NC[C@H]2Cn3nnc(-c4ccoc4)c3CO2)cs1 1565546820 FATSDHKGBNSZKX-NSHDSACASA-N 345.384 1.632 0 40 EDAB Cn1c2c(c(=O)n(C)c1=O)[C@H]1c3ccccc3OC[C@@H]1C(C)(C)O2 489952 HOCUKQUIIIWNJY-AAEUAGOBSA-N 328.368 1.396 0 40 EDAB COc1cc(OC)c([C@H]2C=C(C(=O)O)Nc3nc(C)nn32)cc1OC 12390899 XHIBQGMIGGJKER-LLVKDONJSA-N 346.343 1.596 0 40 EDAB COC[C@@H]1CN(C(=O)c2csc(C)n2)Cc2nnn(CC3CC3)c21 2055750710 RUGUXIWFFZQRLO-LBPRGKRZSA-N 347.444 1.839 0 40 EDAB COC(=O)CS[C@H]1CCN(C(=O)c2ccc(NC(C)=O)cc2)C1 217562224 BKRNNUDPDYMIBL-AWEZNQCLSA-N 336.413 1.766 0 40 EDAB COC(=O)c1ccc(C(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1 575615444 FPIYABHWEMZYQG-QGZVFWFLSA-N 346.427 1.704 0 40 EDAB Cc1cnc2n(c1=O)[C@H](CC(=O)Nc1ccc(C(N)=O)cc1)CS2 14032358 FYLLDNBTKAVIKK-GFCCVEGCSA-N 344.396 1.326 0 40 EDAB O=C(NCCCn1ncccc1=O)c1ccc(Br)o1 23241768 VNEUKQMOKVXMMT-UHFFFAOYSA-N 326.150 1.419 0 40 EDAB CCc1c(C)[nH]c2nc(-c3cc(OC)c(OC)c(OC)c3)nn2c1=O 100071858 SZWWRWRKOPVYLY-UHFFFAOYSA-N 344.371 1.981 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)c1ccc(N2CCOCC2)nc1 30001866 BMZLKZGSWAGEJO-INIZCTEOSA-N 339.395 1.652 0 40 EDAB C[C@H]1CN(C(C)(C)CNC(=O)[C@@H]2Cc3ccccc3O2)C[C@@H](C)O1 40489098 UBWFNDAHAXCPNL-VBQJREDUSA-N 332.444 1.994 0 40 EDAB Cc1cc(-n2c(C)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2C)no1 40490004 YDXZHDVMLFNZMP-GFCCVEGCSA-N 337.401 1.307 0 40 EDAB COc1cc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)cc(OC)c1 31637131 KRZZDDAALRLRPT-UHFFFAOYSA-N 341.371 1.940 0 40 EDAB O=C(NCc1cccnc1)c1c(-n2cnnn2)sc2c1CCCC2 31819938 WAWXQXOLPKSYTB-UHFFFAOYSA-N 340.412 1.928 0 40 EDAB C[C@@H](Nc1ccc(F)c(NC(=O)C2CC2)c1)C(=O)N1CCNC1=O 32771689 XGPWOJVOSWEXEK-SECBINFHSA-N 334.351 1.526 0 40 EDAB NC(=O)CN1CCN(C(=O)CCc2cccc(C(F)(F)F)c2)CC1 97379779 FUUHAQJMAYSHDV-UHFFFAOYSA-N 343.349 1.268 0 40 EDAB CC(C)N(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C1CCOCC1 78181164 IGXUXSLNOGTNII-UHFFFAOYSA-N 330.384 1.942 0 40 EDAB CC(C)COC(=O)N1CCCN(CC(=O)NCc2cccnc2)CC1 78640921 VOZZCRBBUZRBEO-UHFFFAOYSA-N 348.447 1.498 0 40 EDAB Cc1noc(Cl)c1CC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 78789605 XEIXPDSWEFZEAU-STQMWFEESA-N 327.812 1.237 0 40 EDAB O=c1[nH]c(N2CCC[C@@H](CO)C2)nc2c1cnn2-c1ccccc1 78804490 HDYCVSHFULPQHL-GFCCVEGCSA-N 325.372 1.318 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCCN(Cc2ccccc2)CC1 41902262 HPMUTITVCXNMDK-INIZCTEOSA-N 336.457 1.156 0 40 EDAB CCS(=O)(=O)N[C@@H](C)CCN1CCN(c2ccccc2)CC1 53646687 PZWUPUPDDGNABN-HNNXBMFYSA-N 325.478 1.527 0 40 EDAB C[C@H](NC(=O)N1CCC([C@H](O)c2ccccc2)CC1)C(=O)N(C)C 79480726 APROXIIBGBHIKN-XJKSGUPXSA-N 333.432 1.618 0 40 EDAB CC(=O)N[C@@H](CC(=O)NCCCN1CCCC1=O)c1ccc(C)cc1 22626823 RNLPDCRDZIMGAP-KRWDZBQOSA-N 345.443 1.691 0 40 EDAB C[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1F 42324248 GNJLVZZDHXMWRX-VHSXEESVSA-N 332.372 1.760 0 40 EDAB CCN(C1CCN(Cc2ccccc2N(C)C)CC1)S(C)(=O)=O 72630046 TVVVBYGZUNKCNA-UHFFFAOYSA-N 339.505 1.999 0 40 EDAB Cc1noc(C)c1CCC(=O)NCc1ccnc(N2CCOCC2)c1 25291166 ISWQRVMBAFFIJC-UHFFFAOYSA-N 344.415 1.772 0 40 EDAB O=C(NCCNC(=O)C1CCN(C(=O)c2cccs2)CC1)C1CC1 25455577 YYXLUAWQOOOHCC-UHFFFAOYSA-N 349.456 1.243 0 40 EDAB CCCc1n[nH]c([C@@H]2CN([C@H](C)C(=O)Nc3cc(C)on3)CCO2)n1 107141220 OMXUHYYVMRQBEQ-NEPJUHHUSA-N 348.407 1.454 0 40 EDAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2[nH]nnc2c1 12548327 AXSQXYJJAXZQSL-UHFFFAOYSA-N 342.355 1.914 0 40 EDAB CCOc1cccc(C(=O)NCCn2nc3ccccn3c2=O)c1 57240952 LVZAVZKYAAIIGO-UHFFFAOYSA-N 326.356 1.325 0 40 EDAB CCCC(=O)N1CCCC[C@@H]1C(=O)NC1CCC2(CC1)OCCO2 57496445 RXEKSCINVCBWQL-OAHLLOKOSA-N 338.448 1.970 0 40 EDAB C[C@H](O)[C@H](Nc1ncnc2ccc(Br)cc12)C(=O)O 1912287 YIWQPMVXTVANDH-WKEGUHRASA-N 326.150 1.638 0 40 EDAB Cn1cc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cn1 108525878 NDIOSXSUMRLJBH-SJLPKXTDSA-N 332.448 1.271 0 40 EDAB CN(c1ccc(OCC(=O)NC2CCCCC2)cc1)S(C)(=O)=O 22230404 IOVZWYNEPGUXTR-UHFFFAOYSA-N 340.445 1.910 0 40 EDAB O=c1[nH]c(CN2CCN(c3ccccn3)CC2)nc2ccsc12 12600404 YCHLDPKFHHOMSJ-UHFFFAOYSA-N 327.413 1.702 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 44892934 AVDXJUFHYDFGIV-BCPZQOPPSA-N 325.368 1.075 0 40 EDAB O=C([C@H]1CCC[C@@]12CCN(Cc1ccncc1)C2)N1CCOCC1 108526288 HZNYWWJHQOOTIH-MJGOQNOKSA-N 329.444 1.933 0 40 EDAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 44938552 QOOYAMRKWZCFPV-MRVPVSSYSA-N 343.792 1.439 0 40 EDAB COc1ccccc1[C@H](NC(=O)N(CCO)C1CC1)c1nccn1C 44967254 FONGBVISQAOOIX-INIZCTEOSA-N 344.415 1.684 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N1CCN(Cc2cccs2)CC1 44969801 ARYYMBUZLPCQFX-CQSZACIVSA-N 333.461 1.861 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2 102675422 SXEHFZOGEUPOQA-NFAWXSAZSA-N 336.457 1.989 0 40 EDAB CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)c2ccc[nH]2)C1=O 48290906 XUSNYDROEHNHHB-UHFFFAOYSA-N 341.323 1.592 0 40 EDAB COc1ccc(CC(=O)NCCCNC(=O)c2cccc(O)c2)cc1 58333084 SEJALYIICHYGRD-UHFFFAOYSA-N 342.395 1.880 0 40 EDAB C[C@H](O)CN(CC(=O)NC(=O)NCC(F)(F)F)c1ccccc1 58358188 QOFNBBOICXRRNI-JTQLQIEISA-N 333.310 1.262 0 40 EDAB CCn1cnnc1CNC(=O)[C@@H](c1ccccc1)N1CCSCC1 58378436 DAWUASQGVGDSNE-MRXNPFEDSA-N 345.472 1.704 0 40 EDAB COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 12795614 XDKNMBXHUPYTHX-MRXNPFEDSA-N 327.384 1.591 0 40 EDAB COc1cccc(-c2noc(CCC(=O)NC[C@@H]3CCCO3)n2)c1 2380848 BOVJUENIHGDUPO-AWEZNQCLSA-N 331.372 1.973 0 40 EDAB O=C(CC[C@H]1N=C(O)N(Cc2ccco2)C1=O)Nc1nccs1 36589797 MMXMFRWGRHYTBD-SNVBAGLBSA-N 334.357 1.780 0 40 EDAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 28207541 HKLFDIVNWMRCNB-UHFFFAOYSA-N 342.461 1.931 0 40 EDAB CN(CC(=O)NCC1(c2ccccc2)CC1)c1ncnc2[nH]cnc12 45979548 PEHVKDXVGOCKNJ-UHFFFAOYSA-N 336.399 1.637 0 40 EDAB Cc1cc(NC(=O)[C@H](C)S(=O)(=O)Cc2nc(C(C)C)no2)no1 46135921 COPNSBRQGVSDGL-VIFPVBQESA-N 342.377 1.431 0 40 EDAB Cc1cc(-n2cnnc2)cc(NC(=O)c2nccnc2C(=O)O)c1C 72404544 NDDXDDIEJPWUQQ-UHFFFAOYSA-N 338.327 1.625 0 40 EDAB c1ccc(-n2nnnc2N2CCN(Cc3cscn3)CC2)cc1 46517653 HIHKPVLHRADDLX-UHFFFAOYSA-N 327.417 1.441 0 40 EDAB CCOC(=O)C1=C(CN(Cc2ccc(C)o2)C2CC2)NC(=O)NC1 48355860 SUEYQRPPSNPOKC-UHFFFAOYSA-N 333.388 1.682 0 40 EDAB Cc1noc(C)c1CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 48356568 WPAKTLPEXKUMLC-UHFFFAOYSA-N 343.383 1.945 0 40 EDAB COC(=O)CC[C@H](NC(=O)N1CCCc2ccccc21)C(=O)OC 8991937 OJPZGCCWMFZMJW-ZDUSSCGKSA-N 334.372 1.644 0 40 EDAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408598166 XOMNOJMFWBXVCE-JTQLQIEISA-N 348.852 1.932 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](c1cc2ccccc2o1)C1CC1 95394967 IYGWIZDKYXMBRO-KRWDZBQOSA-N 339.351 1.550 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@@H]1N1CCOCC1 84736114 XPYHDYCUKQAGII-CJNGLKHVSA-N 330.432 1.537 0 40 EDAB CCOCCCNC(=O)c1cc(Cl)ccc1NS(C)(=O)=O 64479680 AQZWKWKGGRJSQJ-UHFFFAOYSA-N 334.825 1.868 0 40 EDAB CCN1C(=S)N(c2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@@H]21 13734355 CXNBRJMFMQGCSA-RYUDHWBXSA-N 330.862 1.932 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccncc3)ccc21 65422807 VOWFHWNHOZREGS-UHFFFAOYSA-N 345.424 1.811 0 40 EDAB COc1cc(CNC(=O)Cc2ccsc2)ccc1OCC(N)=O 65467361 KUUJPHPOOVZXIN-UHFFFAOYSA-N 334.397 1.480 0 40 EDAB CCOC[C@@H]1CCN(C)C2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)C2 306143748 YLJBKUOXPNDLKE-CRAIPNDOSA-N 344.455 1.949 0 40 EDAB CC[C@@](C)(NC(=O)Cc1csc(NC(=O)C(C)C)n1)C(=O)OC 65535703 BSCSRVHZSZXNHR-OAHLLOKOSA-N 341.433 1.738 0 40 EDAB Cc1nn(CN2CCN(C(=O)C(C)C)CC2)c(=O)c2ccccc12 14137986 XMEXYKFIOAQYIA-UHFFFAOYSA-N 328.416 1.463 0 40 EDAB COc1cccc(CNC(=O)N2CCC[C@H](Cc3nccn3C)C2)n1 95424464 XAHGJBZCCDQHLX-CQSZACIVSA-N 343.431 1.988 0 40 EDAB Cc1cc(C)cc(COCCOCn2c3c(c(=O)[nH]c2=O)CCC3)c1 4697978 IHVQBYDJEYSWNT-UHFFFAOYSA-N 344.411 1.833 0 40 EDAB COC(=O)[C@@H]1c2ccccc2CCN1CC(=O)NC(=O)NC(C)(C)C 95405161 YLFKYUNOZRLQIP-HNNXBMFYSA-N 347.415 1.383 0 40 EDAB CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCOC(C)(C)C1 66357152 OBOMYFBXNFYDIQ-UHFFFAOYSA-N 333.432 1.856 0 40 EDAB O=C([C@H]1CCCCN1C(=O)Cc1ccc(F)cc1)N1CCOCC1 66485612 PUVIPXBIEAWJEN-MRXNPFEDSA-N 334.391 1.608 0 40 EDAB COC(=O)CNC(=O)CSc1ncnc2sc3c(c12)CCC3 5862008 JFERDDTUNQCQGJ-UHFFFAOYSA-N 337.426 1.561 0 40 EDAB CCc1ccc(-n2cc(C(=O)N3CCC(C(N)=O)CC3)nn2)cc1 67263217 PKJJMZCKMXHUBK-UHFFFAOYSA-N 327.388 1.167 0 40 EDAB FC(F)(F)c1nnc2ccc(SCCN3CCOCC3)nn12 90069723 BWQCFCZBTJRYBX-UHFFFAOYSA-N 333.339 1.567 0 40 EDAB C[C@@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccc(F)cc1F 7459003 LGRNVGKLSOQYSM-SNVBAGLBSA-N 325.359 1.339 0 40 EDAB CNS(=O)(=O)CCCSc1nnc(-c2ccc(C)cc2)n1C 96404764 SZWXBJLRSPVFPS-UHFFFAOYSA-N 340.474 1.822 0 40 EDAB CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](C(N)=O)C3)cn2)CC1 71804982 YETWYIIKKHJXMA-OAHLLOKOSA-N 345.447 1.335 0 40 EDAB Cc1ccc(NC(=O)NC(=O)CN(C)CC(=O)NC(C)C)c(C)c1 7923983 SGKPIGSZTYRDKC-UHFFFAOYSA-N 334.420 1.408 0 40 EDAB Cc1ncc(CNCC(C)(C)NS(C)(=O)=O)n1-c1ccccc1 81292718 CJEYMWNDTSDDHQ-UHFFFAOYSA-N 336.461 1.598 0 40 EDAB CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CCS(=O)(=O)C1 71888900 ZJBMGYKFNABKFV-CYBMUJFWSA-N 339.457 1.914 0 40 EDAB O=C(c1ccccc1)N1CCN(c2nnnn2-c2ccccc2)CC1 8063446 XIVBAXQAGAYYMN-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc[n+]1[O-] 68928588 BRHLKUYOMNVGAK-LBPRGKRZSA-N 333.338 1.855 0 40 EDAB Cc1ccc([C@H]2C[C@@H]2C(=O)NC2CCN(CC(N)=O)CC2)cc1C 71837340 XIHDAFUDCWOCHQ-SJORKVTESA-N 329.444 1.473 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NC1(C(=O)O)CCCCC1 71802823 FHBOAHSFNWIWAP-UHFFFAOYSA-N 329.356 1.300 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)COc2ccc3c(c2)CCCC3=O)C1 69385855 GAMVLNMUWPSXBQ-OAHLLOKOSA-N 344.411 1.712 0 40 EDAB Cc1ccc(/C=C/C(=O)Oc2cccc(C(=O)NCC(N)=O)c2)cc1 71909252 QGAVTVPTABKLFH-MDZDMXLPSA-N 338.363 1.829 0 40 EDAB Cc1cc(NC(=O)CCN2C(=O)NC3(CCSCC3)C2=O)no1 69535931 OWADTCXCVXFYAJ-UHFFFAOYSA-N 338.389 1.129 0 40 EDAB O=C(NCC[C@@H]1CCCO1)c1cc(I)c[nH]1 71908808 WZUIUTOVUFXILZ-VIFPVBQESA-N 334.157 1.918 0 40 EDAB CN1C(=O)CC[C@H](C(=O)O[C@@H]2CCCSC2)[C@H]1c1cnn(C)c1 71913768 ZQRJHPRYCXVDDZ-VNHYZAJKSA-N 337.445 1.768 0 40 EDAB Cc1[nH]c(=O)ccc1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 91758370 AOFXTVQKLTXWCN-XHDPSFHLSA-N 334.322 1.910 0 40 EDAB COc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2c2ccccc2OC)cn1 69742376 TZXQXWPUGQCRPH-KBPBESRZSA-N 341.367 1.710 0 40 EDAB COc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2c2ccccc2OC)cn1 69742378 TZXQXWPUGQCRPH-KGLIPLIRSA-N 341.367 1.710 0 40 EDAB NC(=O)NC[C@H]1CCCCN1C(=O)c1cnn(Cc2ccccc2)c1 69819102 NIBTYMJOUTYIDA-MRXNPFEDSA-N 341.415 1.594 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)N[C@@H](c1ccccc1)C1CC1 69875403 DIZBXBUVCPJYQC-YJBOKZPZSA-N 325.416 1.450 0 40 EDAB Cc1csc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)n1 18115880 OUXPOFOSCGOCFJ-UHFFFAOYSA-N 330.369 1.484 0 40 EDAB Cn1cc(C(=O)N2CCN(CC(C)(C)O)CC2)c(-c2cccnc2)n1 69952180 WDNBFPVSKMCZPI-UHFFFAOYSA-N 343.431 1.011 0 40 EDAB COc1cc(OC)cc([C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)O)c1 8700665 YVEASTJAAFHWES-STQMWFEESA-N 341.360 1.715 0 40 EDAB Cc1ccc(N2CCCN(C(=O)CCNC(=O)C(C)(C)C)CC2)nn1 84191736 OPQAOICKJXSMLV-UHFFFAOYSA-N 347.463 1.376 0 40 EDAB C[C@H](C(=O)N1CCCCCC1)N1CCN(C(=O)NC(C)(C)C)CC1 97014702 GJZRMWUQZVEGBU-OAHLLOKOSA-N 338.496 1.903 0 40 EDAB O=c1ccn(Cc2nc(-c3ccc4c(c3)COC4)cs2)c(=O)[nH]1 97012297 SUZUJNBMIQEAPL-UHFFFAOYSA-N 327.365 1.739 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)CCn3ccccc3=O)C2)no1 72232046 IWHYDDIUWOYLSV-CYBMUJFWSA-N 330.388 1.590 0 40 EDAB Cc1noc([C@H](C)N2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)n1 84281595 RMGPIHQYRIAOGO-FZMZJTMJSA-N 345.451 1.651 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 73695204 KXFYMAHIJKPMAX-OAHLLOKOSA-N 347.463 1.743 0 40 EDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(C)s2)C1=O 409220023 XOLCABUBEKUUKN-XFFZJAGNSA-N 340.426 1.855 0 40 EDAB C[C@@H]1CCCN1CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 95976935 KQYOYFOYACFNHD-BHIYHBOVSA-N 345.487 1.470 0 40 EDAB CC[C@@H]1C(=O)NCCN1C(=O)c1cnn(CC(C)C)c1C(F)F 89764022 DGNJDBXDDQPJAL-LLVKDONJSA-N 328.363 1.827 0 40 EDAB Cc1nc(CSCC(=O)N[C@@](C)(Cc2ccccc2)C(=O)O)no1 89718429 AIFZMOXYCGCEMG-INIZCTEOSA-N 349.412 1.813 0 40 EDAB O=C(Nc1ccc2c(c1)C(=O)NC2=O)N[C@H]1CCCCC12OCCO2 89807618 XMZGBGJODBNHCP-ZDUSSCGKSA-N 345.355 1.377 0 40 EDAB Cc1nnc(CN2CCN(CCO[C@H]3CCCC[C@H]3C)CC2)n1C 75605799 KOAZTVPBQDHZCB-WBVHZDCISA-N 335.496 1.836 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)n[nH]2)C1 76046359 REOPOQCSDNAJGG-CYBMUJFWSA-N 347.419 1.850 0 40 EDAB COC[C@@H](C)NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 408615846 SZKTVKHCEQNDBR-CYBMUJFWSA-N 342.461 1.727 0 40 EDAB CCn1cc(CN2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)cn1 306127016 FLMQIKKCSCAUQT-ARFHVFGLSA-N 328.420 1.252 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccc2)cc1 33620038 JYEQTBOAMOWFFX-CYBMUJFWSA-N 348.424 1.678 0 40 EDAB Cn1cc([C@H]2CN(C(=O)NC3CC3)CC[C@@H]2N2CCCCC2)cn1 306144510 ZHIQRENGAYCLMD-SJORKVTESA-N 331.464 1.936 0 40 EDAB C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 532063602 WYVVBYLNKRRRDN-DHMWGJHJSA-N 343.493 1.124 0 40 EDAB COCCCNC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 409001503 ISRBJLKTTJFZOX-CQSZACIVSA-N 334.372 1.467 0 40 EDAB CCOC(=O)[C@@]1(F)CN(C(=O)c2ccn(C(C)C)n2)CC12COC2 521394347 GMDYJXWZZANKQO-INIZCTEOSA-N 339.367 1.208 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)CCNC(=O)c2ccsc2)C1 25134081 QNZJYPQINOCELD-GFCCVEGCSA-N 338.429 1.670 0 40 EDAB CO[C@@H]1CCC[C@H]1OC(=O)Cn1cc(Br)ccc1=O 78985105 YPLMGYCQJDCGMY-GHMZBOCLSA-N 330.178 1.722 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCNC(=O)C(C)(C)C)C1 78879560 PROKEZLBUJTXRK-LBPRGKRZSA-N 341.452 1.664 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)cc1 70639322 PSHAOWXWIFHNPU-HNNXBMFYSA-N 335.425 1.967 0 40 EDAB C[C@@]1(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1(Cl)Cl 78986968 IMZDAQUWOJGFNS-MUWHJKNJSA-N 333.137 1.850 0 40 EDAB Cc1nn(CC(=O)NCCc2ccco2)c(=O)c2cc3occc3n12 72346387 YBUFIKXLBMRQKY-UHFFFAOYSA-N 340.339 1.503 0 40 EDAB Cn1cc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)c(C2CC2)n1 566064560 KZXOSVFGSJHLFV-LBPRGKRZSA-N 345.424 1.598 0 40 EDAB Cc1cc(Br)ccc1CC(=O)NCCNC(=O)N(C)C 182802098 AFFJQZPDHYQFAN-UHFFFAOYSA-N 342.237 1.687 0 40 EDAB COc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1 224189719 LIMABIVRKWULNQ-UHFFFAOYSA-N 336.417 1.338 0 40 EDAB Cn1nc(CNC(=O)c2cnc3ccccc3n2)c2ccccc2c1=O 75148911 MHNPURFXKURBQX-UHFFFAOYSA-N 345.362 1.807 0 40 EDAB CN(CCC(=O)N1CCOCC1)[C@@H]1CCCN(c2ccccc2)C1 81013432 AJZBCTORZCZIOG-GOSISDBHSA-N 331.460 1.836 0 40 EDAB CN(C(=O)CN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccccc1 81097857 KGRVCKKAWRHKFP-CVEARBPZSA-N 338.473 1.937 0 40 EDAB O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc2ccccc12 83988368 MUVDORRQQRLPQP-CVEARBPZSA-N 346.452 1.981 0 40 EDAB COc1ccc2c(c1)CCN(C(=O)c1ccn(CCN(C)C)n1)CC2 571700606 VYVXJDRTGJWUKA-UHFFFAOYSA-N 342.443 1.694 0 40 EDAB CCN(CC)C(=O)[C@@H]1CCCN(CN2C(=O)C(=O)c3ccccc32)C1 226758423 ZUDDQJDSYGFOJX-CQSZACIVSA-N 343.427 1.754 0 40 EDAB CN(C(=O)CN1CCC[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 226374720 VQGOSBZPAQZKII-CVEARBPZSA-N 336.457 1.469 0 40 EDAB O=C(c1cnccn1)N1CCN(c2cc(-n3cccc3)ncn2)CC1 85472174 DIFQILBQQUZLPR-UHFFFAOYSA-N 335.371 1.020 0 40 EDAB CCn1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)nn1 1597876353 AGCYBJLXCCSOHC-CYBMUJFWSA-N 327.344 1.205 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccco2)C1 96065644 GFEQQQPUINIJIZ-CGTJXYLNSA-N 341.411 1.970 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)CC2 91562835 UBXGGLGNVSYZJT-ZDUSSCGKSA-N 347.463 1.433 0 40 EDAB COc1ccc(CC(=O)N2CC[C@@H](O)[C@@H]2Cc2cccnc2)cc1 96200112 JDUFONJBHKBXMG-ZWKOTPCHSA-N 326.396 1.837 0 40 EDAB CCS(=O)(=O)N1CCC[C@@]2(COCCN(c3ccccc3)C2)C1 96228970 QHEXLAYGEGIAEG-KRWDZBQOSA-N 338.473 1.955 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1nn(-c3ccccc3)nc1C)C2 97198351 VWAUAICGWQZFBS-AWEZNQCLSA-N 336.399 1.825 0 40 EDAB Cc1cc(C)cc(CN2C[C@H]3COC[C@H](N4CCN(C)CC4)[C@H]3C2)c1 96186829 DIMCCYIMJAQYGE-ACRUOGEOSA-N 343.515 1.998 0 40 EDAB O=C(CC1CC1)NCc1cnc2n1CCN(Cc1ccoc1)CC2 96197039 DWIBLPNOYQMZKT-UHFFFAOYSA-N 328.416 1.951 0 40 EDAB Cc1cnc(N2CC[C@@H](NS(C)(=O)=O)[C@@H]2Cc2ccccc2)nc1 96070014 PMNVLAVSYFBLKD-CVEARBPZSA-N 346.456 1.524 0 40 EDAB CCNC(=O)CN1CCN(C(=O)C/C=C/c2ccc(C)cc2)CC1 96460889 CPKVTWRJZHJKQZ-SNAWJCMRSA-N 329.444 1.679 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1cnn(C)c1)C2 96237879 FSPOYEIPWSIOHE-IBGZPJMESA-N 339.443 1.343 0 40 EDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CCCCO3)C2)n1 96205947 SEMOLIBWDDVKDY-APWZRJJASA-N 345.443 1.783 0 40 EDAB COc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)C3CC3)C2)c1 96108417 TYHZRSUUNQQYKE-APWZRJJASA-N 330.428 1.670 0 40 EDAB CN([C@]1(CO)CCOC1)S(=O)(=O)c1csc2ccccc12 583651456 MMWUVUJVCWRYDA-AWEZNQCLSA-N 327.427 1.673 0 40 EDAB O=C(Nc1cnccn1)[C@H]1CO[C@H]2CCN(Cc3ccoc3)C[C@H]2C1 96066036 CUFAEWXJTIMZDZ-OAGGEKHMSA-N 342.399 1.935 0 40 EDAB COc1cncc(N2CCN(Cc3nnc(-c4ccco4)o3)CC2)n1 96406654 HMNOXZCYQXMNOF-UHFFFAOYSA-N 342.359 1.450 0 40 EDAB Cc1noc(C)c1CN1CCC[C@]2(C1)CN(C(=O)N(C)C)CCO2 96226727 NRBFCQFUAOANIX-KRWDZBQOSA-N 336.436 1.640 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cnccn1)C2 96065021 DPBVLBJZRJBCRS-FUHWJXTLSA-N 348.447 1.066 0 40 EDAB CCc1ccc([C@@H](COC)NS(=O)(=O)c2cnccc2OC)o1 585084129 BXBGLAAKAODWMD-GFCCVEGCSA-N 340.401 1.912 0 40 EDAB CCO[C@@H]1CCOC2(C1)CN(S(=O)(=O)c1cccc(F)c1)C2 248375838 BQKQSVXRHLFHNW-CYBMUJFWSA-N 329.393 1.784 0 40 EDAB CCOC(=O)c1cnc(CC)nc1NC1CCN([C@H]2CCOC2)CC1 585139253 DJQJRQIYEIBKID-AWEZNQCLSA-N 348.447 1.881 0 40 EDAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230218 NLZNOCHSXSJILW-JRATXPSKSA-N 334.372 1.257 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 247865016 OGNPLGSAUJYIAN-CYBMUJFWSA-N 328.397 1.651 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2coc(C)n2)CCN1Cc1ccccc1 257334948 YHYZTOJVHNNJFF-MRXNPFEDSA-N 342.399 1.056 0 40 EDAB OCCOc1cccc(CN2CCO[C@@H](CCc3ccncn3)C2)c1 257286916 PNQGXTLNHRCINW-IBGZPJMESA-N 343.427 1.681 0 40 EDAB CCc1cc(C(=O)N2CCC[C@H]2c2cncc(CNC(C)=O)n2)no1 257205018 AXGYDLKTCKVKSV-INIZCTEOSA-N 343.387 1.640 0 40 EDAB Cc1cc(-c2cncc([C@H]3CCCN3S(=O)(=O)N(C)C)n2)[nH]n1 257339611 ZCMLQMIHJZBGPP-CQSZACIVSA-N 336.421 1.118 0 40 EDAB CN1C(=O)CO[C@@H]2CCN(C(=O)c3cccc4cccnc34)C[C@@H]21 257244329 IKUQFPOZEJORNH-LSDHHAIUSA-N 325.368 1.307 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)n1 257274619 NLWUFPOWFYANHT-ZDUSSCGKSA-N 344.371 1.571 0 40 EDAB COCCN1C(=O)CC[C@@H](C(=O)NCCCO)[C@@H]1c1ccccc1C 257259454 KYLUDQGPHKHPPO-AEFFLSMTSA-N 348.443 1.420 0 40 EDAB C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(CC3CC3)CCN21 253403851 QNVLDTBUZFNPRD-PMACEKPBSA-N 329.488 1.649 0 40 EDAB biogenic,in-vitro CCc1ncnc(O[C@@H]2CCN(C(=O)Cc3cccnc3)C2)c1F 253472095 IZZIZVQULVYNPX-CYBMUJFWSA-N 330.363 1.796 0 40 EDAB CCOc1nccn2c(CNC(=O)[C@H](C)Oc3ccccc3)nnc12 253472068 IOBDGJSJJSOZQX-LBPRGKRZSA-N 341.371 1.607 0 40 EDAB COc1ccc([C@H]2CN(C(C)=O)CCN2CC(=O)N2CCCC2)cc1 257249671 JJHJLBVOLFFDPC-GOSISDBHSA-N 345.443 1.523 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ncc[nH]3)CC2)C[C@@H](O)C1(C)C 257232000 GIYRGUNYPYFNOD-CYBMUJFWSA-N 334.420 1.024 0 40 EDAB CCCn1nccc1-c1cnc(C[C@H]2CCN(S(C)(=O)=O)C2)cn1 257212872 CFGSBRIHQLDNNC-CYBMUJFWSA-N 349.460 1.574 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2cccc(C)n2)cc1 25842294 NRWLVPSSOMESCP-UHFFFAOYSA-N 333.413 1.369 0 40 EDAB O=C1NCCN1C(=O)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618254880 GFZKBVRNSNMHRG-NSHDSACASA-N 327.344 1.228 0 40 EDAB O=C(N[C@@H](C(=O)O)[C@@H](O)c1ccncc1)c1cccc2c1CCC2 1615003606 XDUVNAFWGWJJJE-CVEARBPZSA-N 326.352 1.487 0 40 EDAB COc1cc([C@H](C)NC(=O)c2ccc(C)nn2)ccc1S(C)(=O)=O 1615616369 ZMLPVGPWHSYQIZ-NSHDSACASA-N 349.412 1.688 0 40 EDAB COC(=O)[C@H]1C[C@@H]2[C@@H](N[C@@H]3CCCC[C@H]3N3CCOCC3)C[C@H]2C1 1616038875 UIXZDPSNQZCFTE-LVZMMCSGSA-N 336.476 1.807 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575406118 WCGNDURRWCIFDE-CABCVRRESA-N 334.441 1.721 0 40 EDAB O=C(CCc1cc(O)no1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585277585 IXMIJCXHMXZFHL-SFHVURJKSA-N 346.383 1.145 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1(c2ccccc2)CC1 69518558 LGINIEGAVVPKMO-KRWDZBQOSA-N 343.471 1.777 0 40 EDAB Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)nn3)CC2)no1 1055716489 NDQPNFNFEBUXRO-UHFFFAOYSA-N 341.293 1.754 0 40 EDAB CC[C@@H]1CN(CCC(=O)NC2CCCCC2)CCN1C[C@@H](C)O 71879595 RXZAGOOCKXJCHB-NVXWUHKLSA-N 325.497 1.602 0 40 EDAB COc1ncccc1NC(=O)N1CCN(C(=O)c2ccoc2C)CC1 56618984 ZYTQEFBONNSZPT-UHFFFAOYSA-N 344.371 1.982 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCc1ncnn1C 84409307 WRRPLLRPOQHTIT-OAHLLOKOSA-N 347.394 1.068 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CC2)c(C)o1 81590353 DYLZUZLCOBGJOB-UHFFFAOYSA-N 348.424 1.958 0 40 EDAB COC[C@@H](NC(=O)Cn1cc(C2CC2)nn1)c1ccc(F)c(F)c1 91160400 RJZKKSLSXYRBFP-OAHLLOKOSA-N 336.342 1.938 0 40 EDAB CN1C[C@H](C(=O)N2CCC(Oc3ncccc3Cl)CC2)CC1=O 96096901 NZRSFBPCYTVINB-LLVKDONJSA-N 337.807 1.583 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H](C)C(=O)N(C)C 547327362 UJJLVRMTBRKQFE-ZDUSSCGKSA-N 328.416 1.755 0 40 EDAB O=c1cc(CN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)occ1O 84539013 IVQUOKWIULWCPW-QFBILLFUSA-N 342.395 1.431 0 40 EDAB CN(C)S(=O)(=O)Nc1ccc(I)cc1 5912788 BREIMGBYDPFYNA-UHFFFAOYSA-N 326.159 1.510 0 40 EDAB O=C(O)[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1c1ccc(F)cc1 12158477 PSZAOVVQUUPTAL-KGLIPLIRSA-N 334.347 1.075 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3C[C@H](C)C[C@@H](C)C3)n2)o1 12182727 NNUCOGFPEQPNNU-VXGBXAGGSA-N 344.415 1.898 0 40 EDAB COc1c(C[C@H]2C[C@@H](NC(C)C)C(=O)O2)cc2c(c1OC)OCO2 12401603 GJCMIHNMGVKQCR-NWDGAFQWSA-N 337.372 1.657 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 12496163 GBRAYANSGPYTCE-HNSFDTNUSA-N 348.374 1.413 0 40 EDAB Cc1ccc(C)c(OCCOC(=O)CCCN2C(=O)CNC2=O)c1 12905019 WIHUGEBXKIKRKA-UHFFFAOYSA-N 334.372 1.557 0 40 EDAB Cc1cnc(-c2nc(O)c3c(n2)CN(C(=O)[C@@H]2C[C@@H]2C)CC3)cn1 13227847 LTOGVIOADUZUJR-JOYOIKCWSA-N 325.372 1.488 0 40 EDAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)C1 14607403 HLHAWHLEKDKHAY-SWLSCSKDSA-N 348.374 1.733 0 40 EDAB COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cc1 15497537 ACFJOAOWXMKMNI-JTQLQIEISA-N 332.312 1.954 0 40 EDAB CC(C)c1cc(C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cs1 17070464 VCCBENNLQWTAGS-LFSVMHDDSA-N 334.397 1.679 0 40 EDAB O=C(NCCn1nc([C@H]2CCNC2)c2cccnc21)[C@H]1CC=CCC1 19346726 RABADMAGKBJXIN-GJZGRUSLSA-N 339.443 1.981 0 40 EDAB O=C(O)[C@H](NCCN[C@@H](C(=O)O)c1ccccc1)c1ccccc1 19366200 JSKWOMPZZNQFJD-HZPDHXFCSA-N 328.368 1.817 0 40 EDAB COc1ccc2oc(C(=O)NCCC(=O)N3CCOCC3)cc2c1 19563615 UMQXANZJPHRZNH-UHFFFAOYSA-N 332.356 1.420 0 40 EDAB CNc1cc(CCNC(=O)c2ccccn2)nc(-c2ccncc2)n1 19592309 XYVORNKAYWRBKY-UHFFFAOYSA-N 334.383 1.948 0 40 EDAB CCCCOc1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1OC 5552996 MGODFNHJSQXEOJ-PTNGSMBKSA-N 332.425 1.559 0 40 EDAB Cc1noc(C)c1CCC(=O)NCC1CCN([C@@H]2CCOC2)CC1 575608492 SXNGKNWPVVEKGV-MRXNPFEDSA-N 335.448 1.841 0 40 EDAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1sccc1C(N)=O 7854422 RDOSVKQQRNJUGD-CYBMUJFWSA-N 332.429 1.961 0 40 EDAB CCn1cc(C(=O)NCCCC(=O)OC)c(=O)c2ccc(C)nc21 8394934 FJNRZFDOGJWNGE-UHFFFAOYSA-N 331.372 1.408 0 40 EDAB CC(C)(C)c1cn2nc(C(=O)N3CC[C@@](F)(C(N)=O)C3)ccc2n1 1888855780 JIWFEVPGYBSAKI-INIZCTEOSA-N 333.367 1.066 0 40 EDAB CC(C)NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 19855556 DMOIGQIOYRJKRA-UHFFFAOYSA-N 349.250 1.740 0 40 EDAB COc1ccc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)cc1OC 2037984133 RKMUPPQTTNSVCR-GJZGRUSLSA-N 334.416 1.383 0 40 EDAB CC[C@H]1C(=O)NCCN1C(=O)[C@H]1CCCN(Cc2ccccc2)C1 78548952 BJZJNOYWEOTUPX-IRXDYDNUSA-N 329.444 1.636 0 40 EDAB O=C1NCCN1C(=O)NCC1CCN(C2CCSCC2)CC1 252551114 UBGAXITZJGMKOE-UHFFFAOYSA-N 326.466 1.329 0 40 EDAB Cc1cc(S(=O)(=O)N2CCCN([C@H]3CCOC3)CC2)ccc1F 1565522233 LGVFRDZTZQJDBA-AWEZNQCLSA-N 342.436 1.619 0 40 EDAB COCC(=O)N1CCC2(CCCN(C(=O)c3cscn3)C2)CC1 1808446211 RNRAUEKKMKXFSX-UHFFFAOYSA-N 337.445 1.634 0 40 EDAB COc1cccc(N2C[C@H](NC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2=O)c1 4373276 YRLFJJGXRLIRBJ-MGPQQGTHSA-N 347.415 1.619 0 40 EDAB CCN1CCN(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 4373284 ZFKAJVWTFQGYCT-AWEZNQCLSA-N 346.431 1.148 0 40 EDAB Cn1nccc1C(=O)Nc1nnc(CS(=O)(=O)c2ccccc2)o1 11695088 MJHZVRAILPYAJO-UHFFFAOYSA-N 347.356 1.029 0 40 EDAB CCOc1ccc(NC(=O)Cn2cnc3c(nnn3CC)c2=O)cc1 13531428 QMIZEAQSUBCDJL-UHFFFAOYSA-N 342.359 1.045 0 40 EDAB CSCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(SC)c1 1775967612 YAWYNJWGBZBMOI-LLVKDONJSA-N 328.459 1.577 0 40 EDAB C[C@@H](C(=O)c1ccc(Cl)cc1)c1cnc2n(C)c(=O)[nH]c(=O)n12 28527298 FTOSSXSUEPFRDI-MRVPVSSYSA-N 332.747 1.361 0 40 EDAB COc1ccccc1CC(=O)N1CCN(c2cccnc2)C(=O)C1 585150445 WZYHKSOYBBKLGC-UHFFFAOYSA-N 325.368 1.508 0 40 EDAB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 226860302 NGPKHONVICOFBK-UHFFFAOYSA-N 346.364 1.770 0 40 EDAB COCC(=O)N1CC[C@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 19592715 IJCQRHGVBQRNTH-LBPRGKRZSA-N 328.372 1.132 0 40 EDAB CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 488756 DEWNEODYXYEWOS-ZXFNITATSA-N 331.368 1.761 0 40 EDAB biogenic C[C@H]1CN(c2ccc(C(=O)N(C)Cc3cnn(C)c3)cn2)C[C@H](C)O1 30038430 YEFYLFQVMGBLTA-KBPBESRZSA-N 343.431 1.701 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)c1ccc(Cl)cc1-n1cnnn1 20426748 KWCZGLQXFNZBNE-OAHLLOKOSA-N 343.774 1.779 0 40 EDAB CN(Cc1ccc(Br)o1)C(=O)[C@@H]1CCCN(C(N)=O)C1 40519898 LNIWSCQFIJRWEO-SECBINFHSA-N 344.209 1.791 0 40 EDAB O=C(NCc1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 51190011 MFIVIDSDNUPFRG-OAHLLOKOSA-N 349.406 1.606 0 40 EDAB CCc1nnsc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 32250710 PTYBVFBWELGFDA-AWEZNQCLSA-N 346.456 1.731 0 40 EDAB CCN1CCN(C(=O)[C@]2(C)Oc3ccc(Cl)cc3NC2=O)CC1 41550148 OGIOVLLUQMMLPD-MRXNPFEDSA-N 337.807 1.594 0 40 EDAB COc1ccc2c(ccn2CC(=O)N[C@H](C(N)=O)c2ccccc2)c1 46757170 YZTLZIYHMAOKLC-SFHVURJKSA-N 337.379 1.993 0 40 EDAB CCN1CCN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)CC1 252480 NJGOPCHESJANSA-UHFFFAOYSA-N 334.807 1.321 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)N2CCC[C@@H]2C(=O)O)C1=O 33520839 MOBRNHKVZGKVPU-DGCLKSJQSA-N 332.356 1.266 0 40 EDAB COCc1ccccc1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 69920155 ZZWOWRPADCQCEZ-KRWDZBQOSA-N 334.460 1.998 0 40 EDAB CCNC(=O)NC(=O)CNC(CC)(CC)CNC(=O)OC(C)(C)C 69951850 PKZPFXRYNYMYPH-UHFFFAOYSA-N 344.456 1.505 0 40 EDAB CN(CC(=O)Nc1ccncc1)[C@H]1CCCN(c2cccnn2)C1 69920215 IYAZIOMRGZJLEV-HNNXBMFYSA-N 326.404 1.411 0 40 EDAB O=C(c1ccc(CN[C@H]2CCc3ncnn3C2)cc1)N1CCCC1 69902067 FAUKSVGLBXKRAQ-INIZCTEOSA-N 325.416 1.619 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1 1582852 BLPOMWIOUDXYTC-UHFFFAOYSA-N 347.352 1.880 0 40 EDAB NC(=O)SCC(=O)Nc1ccc(NC(=O)CSC(N)=O)cc1 1681349 VVVZMPYGHGPHND-UHFFFAOYSA-N 342.402 1.187 0 40 EDAB CCc1c(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[nH]c(C)c1C(C)=O 78702755 CDKTYBOELRFASZ-SFHVURJKSA-N 345.399 1.991 0 40 EDAB O=C1NC[C@@H](CSc2nc(O)c3cnn(-c4ccccc4)c3n2)O1 78805976 KZUNXZDNUSWCJT-JTQLQIEISA-N 343.368 1.722 0 40 EDAB C[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)OCCCO2 78899025 XESQWKKXFFAJJT-AAEUAGOBSA-N 326.418 1.076 0 40 EDAB C[C@@H](CC1CCCC1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 79310210 HXGOAMLSKPSGMR-AWEZNQCLSA-N 344.521 1.828 0 40 EDAB Cn1ncc2c(=O)n(Cc3nc4cc(Cl)ccc4n3C)cnc21 53581641 JWSLPIBBSXDPTJ-UHFFFAOYSA-N 328.763 1.718 0 40 EDAB Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1C 4860854 XPNCAWNLDXMMQJ-UHFFFAOYSA-N 334.361 1.806 0 40 EDAB Nc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1Br)CC(=O)N2 4944762 LDBJHMQKHQRDCG-ZETCQYMHSA-N 335.161 1.589 0 40 EDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)cc1 6849181 NWGYRTRPFAHIES-HNNXBMFYSA-N 344.371 1.765 0 40 EDAB Cc1nc2cc([C@H]3CCCN(C(=O)[C@@H]4CCCO4)C3)nn2c(O)c1C 100137631 GIONLQRCWMTMPB-ZFWWWQNUSA-N 344.415 1.937 0 40 EDAB O=C(COC(=O)CNC(=O)C1CCCCC1)NCc1cccs1 8427924 XJTBGAHVLUCGPQ-UHFFFAOYSA-N 338.429 1.604 0 40 EDAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H](C(N)=O)C2)C1 54720337 CCNZNUJKXUFRML-KBMXLJTQSA-N 330.432 1.339 0 40 EDAB COc1cc(OC)c2cc(C(=O)NCc3ccnn3C)[nH]c2c1OC 24650218 FFEBBRIKRCKGQR-UHFFFAOYSA-N 344.371 1.857 0 40 EDAB CCc1ccccc1N1C(=O)C[C@@H](N2CCC(C(=O)O)CC2)C1=O 9926544 VUYBDNWHZBMWMB-OAHLLOKOSA-N 330.384 1.678 0 40 EDAB C[C@H](O)CN1CCN(Cc2csc(-c3cnn(C)c3)n2)C[C@@H]1C 106906604 IADAZJYIFDWMFB-STQMWFEESA-N 335.477 1.431 0 40 EDAB CNC(=O)COc1ccc(CNC(=O)Cc2ccccc2OC)cc1 55856678 ZDQAUCQWFCINGU-UHFFFAOYSA-N 342.395 1.679 0 40 EDAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(c2cnccn2)CC1 25344834 IFJPHLJZMXXLMR-CYBMUJFWSA-N 330.363 1.732 0 40 EDAB COc1ccc([C@H](CC(=O)N2C[C@H](C)O[C@H](C)C2)NC(C)=O)cc1 25374926 JQDHINZOPYUQLZ-AHIWAGSCSA-N 334.416 1.898 0 40 EDAB CC(C)NC(=O)CN1CCN(C(=O)c2cc3ccccc3o2)CC1 26728323 VIVUKAQLDUEXTJ-UHFFFAOYSA-N 329.400 1.715 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O 48276279 GKKVUVHNIXEBQH-OAHLLOKOSA-N 341.415 1.043 0 40 EDAB O=C(c1ccc(N2CCOCC2)nc1)N1CCN2CCCC[C@H]2C1 71839851 LTEFZWIFFFZRGZ-INIZCTEOSA-N 330.432 1.229 0 40 EDAB COCCCN(C)C(=O)CSCc1cc(=O)n2ccsc2n1 58015464 LQJOXJRVNHSPOD-UHFFFAOYSA-N 341.458 1.484 0 40 EDAB Nc1nccnc1C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 10088579 HLICOENXVZQMCH-UHFFFAOYSA-N 339.399 1.227 0 40 EDAB CCOCC(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 108527862 ASJSGOIPWSQDHE-UHFFFAOYSA-N 345.443 1.849 0 40 EDAB O=c1c2ccccc2cnn1C[C@H](O)CN1CCc2ccccc2C1 58173165 LXWSFWQCHAXYLU-GOSISDBHSA-N 335.407 1.816 0 40 EDAB C[C@H](Nc1ncnc2c1cnn2C)c1ccc(S(C)(=O)=O)cc1 12780362 UBYKRNODHRHKRN-JTQLQIEISA-N 331.401 1.940 0 40 EDAB COc1ccc([C@H](CNC(=O)Cn2cccn2)N2CCOCC2)cc1 44896922 SHDWZUIIVIISSO-KRWDZBQOSA-N 344.415 1.081 0 40 EDAB Cc1ccnc(NC(=O)C2CCN(CCCC(=O)NC(N)=O)CC2)c1 58283024 DYGDDKSFPLETLV-UHFFFAOYSA-N 347.419 1.016 0 40 EDAB COc1ccc([C@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1 44945928 VVBBWVKEWNDMRP-QWRGUYRKSA-N 342.417 1.251 0 40 EDAB CNC(=O)C1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 44918368 WBGVFFRBEAOQRB-UHFFFAOYSA-N 330.363 1.610 0 40 EDAB COCCn1ccc(NC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)n1 58391531 VAZFGGTZEBTKRJ-DZKIICNBSA-N 338.452 1.602 0 40 EDAB COC[C@H](C)N(C)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 48342197 SBWJVTYCNVZYIY-LBPRGKRZSA-N 340.445 1.506 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCOC2=O)cc1 11215648 RRPGYCJRPUBNLM-GXFFZTMASA-N 341.385 1.236 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1 71903909 YQRLGMQARMRCHI-QMMMGPOBSA-N 349.778 1.227 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)N2CCCCCC2)cc1 45709505 AUOSJTAYEWZJFQ-UHFFFAOYSA-N 325.434 1.680 0 40 EDAB CN(C)S(=O)(=O)c1cccc(COc2nnc3ccccn23)c1 12811336 ZTGJWPVLDHTYBA-UHFFFAOYSA-N 332.385 1.559 0 40 EDAB Cc1cc(C)cc(NS(=O)(=O)c2ccccc2S(N)(=O)=O)c1 71916527 NROQYMGYIMTSCO-UHFFFAOYSA-N 340.426 1.752 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(N)n1C 28250764 ZBRFPNXVARNYLX-UHFFFAOYSA-N 327.797 1.790 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)Nc1nccs1 12927732 PLYXYGIUFACELF-UHFFFAOYSA-N 330.391 1.055 0 40 EDAB CCOCc1ccccc1CNC(=O)N(C)[C@H]1CCS(=O)(=O)C1 65434048 DAKRUCVJSOTNKR-HNNXBMFYSA-N 340.445 1.552 0 40 EDAB CCOc1ccc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1OC 9042557 IFQJYQDNEBTMRN-NSHDSACASA-N 329.356 1.960 0 40 EDAB CC(C)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 22839996 HSECXAZOPAOWHZ-STQMWFEESA-N 332.400 1.971 0 40 EDAB COC(=O)CN(CC(=O)OC)C(=O)c1c(C)oc2ccc(OC)cc12 65542002 ZYMVVHUGNYEDNQ-UHFFFAOYSA-N 349.339 1.538 0 40 EDAB CCCCCS(=O)(=O)CC(=O)NCc1cccc(C(=O)NC)c1 65565699 HOBHJKQYDIPWRE-UHFFFAOYSA-N 340.445 1.267 0 40 EDAB CCC(=O)c1ccc(OCC(=O)NC[C@@H]2CCCN2CCOC)cc1 65514846 YAYCQELJIXCTDQ-INIZCTEOSA-N 348.443 1.885 0 40 EDAB Cn1c(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)n[nH]c1=S 67049998 ASKHDUVZJPFUPV-OAHLLOKOSA-N 332.385 1.266 0 40 EDAB COc1ccc(CC(=O)N2CSC[C@@H]2C(=O)N(C)C)cc1OC 66657622 NMFSKMIGPODXOS-GFCCVEGCSA-N 338.429 1.236 0 40 EDAB CN(C)C(=O)Cn1cc2c(n1)[C@@H](NC(=O)c1ccccc1F)CCC2 96002939 AFHSWMKWIBBIJC-HNNXBMFYSA-N 344.390 1.918 0 40 EDAB Cc1c(CNS(=O)(=O)c2cc(Cl)cc3c2OCC3)cnn1C 96009994 LCLAIKAMLHQIGF-UHFFFAOYSA-N 341.820 1.795 0 40 EDAB CC[C@@H](Sc1nnc(O)[nH]c1=O)C(=O)NCCc1ccccc1 71405370 YORZXLRSTHURSR-LLVKDONJSA-N 334.401 1.100 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)Oc1ccccc1 409002131 MGMSKYGWUOXNGK-SNPRPXQTSA-N 347.415 1.714 0 40 EDAB CCCc1nnc(S)n1CC(=O)N1CCN(c2ccccc2)CC1 7069320 XSBAYNMWMRQTRD-UHFFFAOYSA-N 345.472 1.868 0 40 EDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2F)c2ccccc2O1 7253263 UBAMNVREFDIFFK-INIZCTEOSA-N 343.358 1.778 0 40 EDAB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCC2 7216601 OLPYUPLKHJWSHY-CQSZACIVSA-N 343.470 1.373 0 40 EDAB CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1c(C)noc1C 67762083 XMAGWLWYBWTMJU-CQSZACIVSA-N 343.449 1.502 0 40 EDAB CN1CCO[C@H](CCNC(=O)C(C)(C)NC(=O)c2cccs2)C1 67909528 KUCKXRGMJKBLLW-GFCCVEGCSA-N 339.461 1.093 0 40 EDAB CCOC(=O)c1c(C)oc2ncn(CC(=O)NC(C)(C)C)c(=O)c12 7553291 DQIOFHRFIGREFT-UHFFFAOYSA-N 335.360 1.389 0 40 EDAB CCOC(=O)CSCC(=O)NCCc1ccc(OC)c(OC)c1 7506533 BUMDORCWOMIFOY-UHFFFAOYSA-N 341.429 1.659 0 40 EDAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@@H]2CCCO2)C1=O 7501629 JIUXHIVEPPUKTL-YVEFUNNKSA-N 332.356 1.404 0 40 EDAB Cc1c(C(=O)O)nnn1-c1cccc2c1CCN(C1CCOCC1)C2 68592542 RAVFNZYUKTYRDA-UHFFFAOYSA-N 342.399 1.811 0 40 EDAB in-vitro CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cc(C)on1 7903092 PBZVLHHIMKIOGL-UHFFFAOYSA-N 346.387 1.891 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)c1 91037558 DAAAUTXGHIPUNU-UHFFFAOYSA-N 349.460 1.366 0 40 EDAB CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C(=O)NC)cc1 69323548 JYRQWGWBHPRWAZ-RISCZKNCSA-N 349.456 1.932 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(-n2cccn2)c(F)c1 69384665 PDQQYDSUNMATHK-UHFFFAOYSA-N 332.379 1.998 0 40 EDAB CCOC(=O)[C@H](C)NC(=O)COCC(=O)Nc1cc(C)ccc1F 69488291 ZQIIBWZLPJBXHU-NSHDSACASA-N 340.351 1.157 0 40 EDAB CCOCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1Cl 69417487 VCIQGUFCNLLQIO-UHFFFAOYSA-N 332.809 1.756 0 40 EDAB CCCc1cc(C(=O)N2CCCN(Cc3cnn(CC)c3)CC2)[nH]n1 69510006 KGDWIRWLSXYZOO-UHFFFAOYSA-N 344.463 1.927 0 40 EDAB CCOC(=O)C1(NC(=O)CSCCOC)Cc2ccccc2C1 69696775 SPXWBNJUSKTASI-UHFFFAOYSA-N 337.441 1.583 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1cc(=O)n3c(C)csc3n1)CC2 69697651 NPUHASZMTQOEGY-NSHDSACASA-N 344.444 1.323 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)CCc3cscn3)CC2)n1 69655965 QLOLHYMJJYONQL-UHFFFAOYSA-N 347.444 1.532 0 40 EDAB NC(=O)c1ccc(=O)n(Cc2cc(F)ccc2Br)n1 69696462 WHDTXHXRJMCLNC-UHFFFAOYSA-N 326.125 1.292 0 40 EDAB O=C1COc2cc(C(=O)N3CCC[C@H](n4ccnc4)C3)ccc2N1 69660411 RNKQAWZKIACUKS-ZDUSSCGKSA-N 326.356 1.691 0 40 EDAB CC(=O)Nc1nc(CN2CCN(C[C@@H](O)C(C)(C)C)CC2)cs1 69652365 GXHUOMYCGAZGNS-CQSZACIVSA-N 340.493 1.626 0 40 EDAB CN(Cc1ccccc1)C(=O)CCNC(=O)CNC(=O)CC(C)(C)C 69744745 KLNYPWBJKXWZDR-UHFFFAOYSA-N 347.459 1.704 0 40 EDAB COCCNc1ccc(CNC(=O)Nc2cnn(CCOC)c2)cc1 69892961 GAASJNAEXCEQNE-UHFFFAOYSA-N 347.419 1.910 0 40 EDAB CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C)cc2)CC1 96998328 KOEUSVGYYZWYDS-HNNXBMFYSA-N 325.478 1.299 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)N1CCCC[C@H](N2CCCC2)C1 95393979 CPHAOWNFNZPARP-SJORKVTESA-N 338.496 1.367 0 40 EDAB Cc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)NCCC1=CCCCC1)CC2 72268037 TZENWYCHYAQQRD-CJNGLKHVSA-N 331.464 1.886 0 40 EDAB Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CCc4nccn4C3)C2=O)cc1 72278695 NQKAZSXSUQALNP-GOEBONIOSA-N 338.411 1.676 0 40 EDAB CN(CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)Cc1ccccc1 72274041 UUOODDHUNVNQLF-MSOLQXFVSA-N 346.475 1.281 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)N[C@H]2CCc3nccn3C2)C1=O 97197903 TXYYFKKWVWMTCO-STQMWFEESA-N 340.383 1.128 0 40 EDAB COCc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)Cn2cncn2)o1 97148094 YIJUPOKYWMQISG-OCCSQVGLSA-N 333.392 1.953 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N(C)C2CCS(=O)CC2)c1 72307485 VEWQEVYHVZMNKF-UHFFFAOYSA-N 345.442 1.005 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)n1 84630881 JGWMLZNJDZDMLX-KGLIPLIRSA-N 347.394 1.667 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 84758662 MEQCWBNTMKDKPC-LLVKDONJSA-N 327.406 1.435 0 40 EDAB C[C@H](NC(=O)N1CCNC(=O)CC1)c1cnn(Cc2ccccc2)c1 95440846 SJZZHYJPQOZKQJ-AWEZNQCLSA-N 341.415 1.524 0 40 EDAB CN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)CC(F)(F)F 95432616 SRZXBWVPOIPPJS-UHFFFAOYSA-N 342.314 1.662 0 40 EDAB COc1ccsc1S(=O)(=O)N1CCN(Cc2ccco2)CC1 95415189 AKWWVIGCONRKEJ-UHFFFAOYSA-N 342.442 1.856 0 40 EDAB Cc1ccc([C@H](CNC(=O)c2cnc(N(C)C)cn2)N(C)C)cc1 95456852 NCJOXGNTFUVQEE-INIZCTEOSA-N 327.432 1.884 0 40 EDAB Cc1cnn(CCCNC(=O)N2CCc3ccccc3[C@@H]2CO)c1 95417118 SQPBCHLWQJRLCM-KRWDZBQOSA-N 328.416 1.883 0 40 EDAB Cc1cnn(CCCNC(=O)N2CCC[C@@H](Cc3nccn3C)C2)c1 95424474 XCOHZLWCCUUYNX-INIZCTEOSA-N 344.463 1.979 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCc1noc(C2CC2)n1 95449658 ZQCNTBBWBQQHOU-CYBMUJFWSA-N 332.360 1.611 0 40 EDAB C[C@@H](C1CC1)N(C(=O)NCCCn1nc2ccccn2c1=O)C1CC1 73951247 AGTFWQHPIVFJBO-ZDUSSCGKSA-N 343.431 1.859 0 40 EDAB C[C@@H]1CC[C@H](CCC(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)O1 95962525 CAUNMEWVEDNHKZ-KBAYOESNSA-N 337.508 1.961 0 40 EDAB COC(=O)N1CCC[C@@H](NC2CCN(Cc3cccnc3)CC2)C1 95967617 ZRWHNSBNGUFYLW-QGZVFWFLSA-N 332.448 1.866 0 40 EDAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)OCCO 89800061 LXYFRUPXXTWVSK-UHFFFAOYSA-N 336.394 1.722 0 40 EDAB CC[C@H]1CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C[C@@H]1N(C)C 89948470 YWSSMPOUMZNNIE-AAEUAGOBSA-N 345.365 1.666 0 40 EDAB CC[C@@H](C)N(C)S(=O)(=O)CCNC(=O)OCc1ccccc1 89942250 MZNBLJCBEBSNLH-CYBMUJFWSA-N 328.434 1.973 0 40 EDAB O=C(c1cc2c(s1)CCOC2)N1CCN([C@@H]2CCC[C@@H]2O)CC1 75606339 AIYFZMPDKGRITG-KGLIPLIRSA-N 336.457 1.492 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)NCc3nccn3C)cc2)CCO1 76070553 WGGILLNTUDQENB-ZDUSSCGKSA-N 329.404 1.967 0 40 EDAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1 21559340 YVNZRPYUTLBLTG-CQSZACIVSA-N 346.383 1.494 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)O)cc1C 548203591 SPPYFIFACKAPAD-JSGCOSHPSA-N 327.402 1.462 0 40 EDAB O=C1CO[C@H]2CN(Cc3ncc[nH]3)C[C@H]2N1Cc1ccc(F)cc1 67897195 FXQUIVQYFGPYLQ-CABCVRRESA-N 330.363 1.161 0 40 EDAB biogenic,in-vitro CC(C)CC(=O)NCCn1nc([C@H]2CCN(C)C2)c2nccnc21 72391625 UBSYZGSHNZCFRG-ZDUSSCGKSA-N 330.436 1.408 0 40 EDAB NC[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218626482 VTFMVLIRCLWHFQ-VYDXJSESSA-N 349.383 1.795 0 40 EDAB CC(=O)NCCC(=O)N(C)S(=O)(=O)c1c(C)cc(C)cc1C 78442090 SKIUXNPUKGUIPV-UHFFFAOYSA-N 326.418 1.285 0 40 EDAB COc1ccc2cc(C)c3nn(CN4CCN(C)CC4)c(=O)n3c2c1 72347001 DAWQSBJAATXYKF-UHFFFAOYSA-N 341.415 1.171 0 40 EDAB COc1ccc(C)cc1NC(=O)NCCn1cnc(C)c(C)c1=O 75166394 PSWYKZANJGTNFT-UHFFFAOYSA-N 330.388 1.999 0 40 EDAB CC1CCN(C[C@H](O)Cn2ccnc2C(=O)c2cccnc2)CC1 186764660 PAEKJDVJZOFCKQ-INIZCTEOSA-N 328.416 1.602 0 40 EDAB O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1O 39945506 PHAPESVEHHOBEI-SQNSNAQRSA-N 340.416 1.611 0 40 EDAB COc1ccc(C)cc1NC(=O)C[C@@H]1Cn2nc(C)nc2NC1=O 40386693 CKWGECYOHGAWIH-LLVKDONJSA-N 329.360 1.501 0 40 EDAB O=C(N[C@H]1CCc2nc[nH]c2C1)[C@@H]1CCCN(Cc2cccnc2)C1 564477610 NHYDGEYBRZRFJX-CVEARBPZSA-N 339.443 1.690 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)n1 41123589 HQFCISZDQJOQBT-DOMZBBRYSA-N 329.356 1.924 0 40 EDAB COC(=O)c1cc(Nc2ncnc3c2cnn3C)cc(C(=O)OC)c1 40227556 ZEQPQUMXGFDAIA-UHFFFAOYSA-N 341.327 1.680 0 40 EDAB COc1ccccc1C(=O)N1C[C@H](c2cnn(C)c2C)[C@@H](C(N)=O)C1 527582394 VTQJKKWHPHVBTG-CABCVRRESA-N 342.399 1.078 0 40 EDAB CCn1nc(C)c(CNS(=O)(=O)c2c[nH]c(C(C)C)n2)c1C 80738231 KXOBAZROMBPTPY-UHFFFAOYSA-N 325.438 1.845 0 40 EDAB O=C([C@@H]1OCCc2ccccc21)N1CCO[C@H](Cn2cccn2)C1 133102384 HNDKDGHXYAIUOJ-DOTOQJQBSA-N 327.384 1.425 0 40 EDAB CC(C)c1nnc2n1CCN(S(=O)(=O)CCN1CCCC1)[C@H]2C 192936702 MVHSGAPLMLGOIW-ZDUSSCGKSA-N 341.481 1.204 0 40 EDAB OCC[C@H]1CN(Cc2ccc(F)cn2)CCN1Cc1ccc(F)cn1 583448506 DHSQKZOVIVCQPF-SFHVURJKSA-N 348.397 1.824 0 40 EDAB COCCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccnnc1)C2 96229875 PZAIDBITHBDBKU-QGZVFWFLSA-N 332.404 1.110 0 40 EDAB CCc1nc(C)ncc1C(=O)N1CCN(c2cc(Cl)ncn2)CC1 96449818 IDLIOVLVCYZNDX-UHFFFAOYSA-N 346.822 1.753 0 40 EDAB C[C@@H](NC(=O)NCCc1nc(C(F)(F)F)cs1)C(=O)N(C)C 96439264 LLQYTBWKHGHUHD-SSDOTTSWSA-N 338.355 1.480 0 40 EDAB CN(C)[C@H](C(=O)N1CCO[C@H](c2nncn2C)C1)c1ccccc1 583621758 KFCHPRDEHCYYOE-GJZGRUSLSA-N 329.404 1.018 0 40 EDAB Cc1oncc1C(=O)N1CCC[C@]2(CCCN2S(C)(=O)=O)C1 96071558 AFMMUCNYBFRCAI-AWEZNQCLSA-N 327.406 1.013 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3[C@@H](CNc4ncccn4)OC[C@H]3C2)no1 96187351 CJJJZLMMPUUUDE-UMVBOHGHSA-N 343.387 1.362 0 40 EDAB CO[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1Cc1cnn(C)c1 96200616 FOZHXRXGKWTOFB-IRXDYDNUSA-N 349.456 1.749 0 40 EDAB Cn1cc([C@@H]2CS(=O)(=O)CCN2CCCc2ccsc2)cn1 331410736 GGLISIIVGMFDQG-HNNXBMFYSA-N 339.486 1.886 0 40 EDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)C1CCC1)C2 96238008 APHJOCBSLBHOAW-IBGZPJMESA-N 345.418 1.875 0 40 EDAB O=C(CC1CC1)N[C@@H]1CN(Cc2cccnc2)C[C@@H]2CCCO[C@@H]21 96057126 QBJFLXKUKVKURU-SCTDSRPQSA-N 329.444 1.977 0 40 EDAB CN(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)S(C)(=O)=O 96473949 YURRVUSFAHHMQT-UHFFFAOYSA-N 347.318 1.923 0 40 EDAB COCC(=O)N[C@H](C)c1onc(-c2ccc(OC)cc2)c1C(=O)O 96296925 SISBMKXPDPGDIZ-SECBINFHSA-N 334.328 1.872 0 40 EDAB biogenic,in-vitro Cc1cccc(N(CC(=O)N2CCCCC2)Cc2n[nH]c(=O)[nH]2)c1 96490436 NHRZVNKEKGNEEB-UHFFFAOYSA-N 329.404 1.426 0 40 EDAB O=C(C[C@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2O1)NC1CC1 96208147 CFVOOIPACQYPNK-JCKWVBRZSA-N 344.411 1.673 0 40 EDAB CN(C)c1ncc2c(n1)[C@@]1(CCN(c3ncc(F)cn3)C1)COC2 96243990 TUWFEYYDWDJLFE-MRXNPFEDSA-N 330.367 1.150 0 40 EDAB O=C(/C=C/c1cn[nH]c1)NC[C@@H](c1cccs1)N1CCOCC1 585135496 NGCAMTJLJKVCNW-XGACYXMMSA-N 332.429 1.674 0 40 EDAB Cc1nnc(CN(CCN2CCOCC2)[C@H]2CCSC2)s1 585116440 VUJGZCPNLZNQEK-ZDUSSCGKSA-N 328.507 1.486 0 40 EDAB CCN(CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 585114980 HXNZEFHKZJDUOU-CABCVRRESA-N 326.485 1.615 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2ncn3c2CCCC3)C1 585121530 RRNSTJODVCETMC-AWEZNQCLSA-N 330.432 1.598 0 40 EDAB Cn1nc(CC(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)c2ccccc21 333709706 IEBWJXMPSLMMFR-YOEHRIQHSA-N 341.411 1.712 0 40 EDAB CN(C)C1(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CCC1 96494425 ORZGARWZWJWYQG-KRWDZBQOSA-N 343.471 1.821 0 40 EDAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)N[C@@H]1CCOC(C)(C)C1 95478255 HJQZVTRQWMLGTI-CYBMUJFWSA-N 347.390 1.918 0 40 EDAB Cc1ccc(-n2cc(S(=O)(=O)N3CCCn4ncnc43)cn2)cc1 96433467 ODLDPLWUABZLRZ-UHFFFAOYSA-N 344.400 1.371 0 40 EDAB COc1ccc2nc(NC(=O)Cn3cc(C(=O)O)cn3)sc2c1 1599635431 XFGWOPVJFQFJED-UHFFFAOYSA-N 332.341 1.838 0 40 EDAB CN1CC[C@H](COc2ccccn2)CC12CN(c1ncc(F)cn1)C2 248135116 OHWSKDAYVUBIBT-AWEZNQCLSA-N 343.406 1.990 0 40 EDAB O=C(NCC[C@H]1CCOC12CN(C1CCOCC1)C2)c1cccnc1 247464047 BXVMJDHCVQKSIA-INIZCTEOSA-N 345.443 1.471 0 40 EDAB C[C@H]1CN(C(=O)N2CCC[C@@](O)(C3(C(=O)O)CCC3)C2)C[C@@H](C)O1 1599917269 LBCRHUWUKJCANG-AHIWAGSCSA-N 340.420 1.297 0 40 EDAB Cn1cc(CN2CC3(C2)OCC[C@@H]3CCOc2cccnc2)cn1 248102207 FGABWMCWJPFYJZ-INIZCTEOSA-N 328.416 1.875 0 40 EDAB CCCN1CCN(C(=O)c2cc(C3CCN(C)CC3)nc(C)n2)CC1 257215265 CPKJHIYYDGVXOK-UHFFFAOYSA-N 345.491 1.762 0 40 EDAB COc1cccc(/C=C\C(=O)NCc2nnc3c(OC)nccn23)c1 253471957 GTBAGKFCHQWDLJ-SREVYHEPSA-N 339.355 1.471 0 40 EDAB Cc1nc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)co1 257275320 NOWBVZNIQXRGPC-KRWDZBQOSA-N 330.388 1.482 0 40 EDAB Cc1cnn(CC(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c1 257223368 DXAQUVZQYOCNQI-JFIYKMOQSA-N 329.400 1.669 0 40 EDAB Cc1nc(C[C@H]2CCCN(C(=O)C3CCOCC3)C2)cc(C(N)=O)n1 257308242 TVZMCWYMWDRABR-CYBMUJFWSA-N 346.431 1.092 0 40 EDAB CCN1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1c(C)cccc1F 252493682 NFFSGEGPJPJJEY-CABCVRRESA-N 342.436 1.618 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)CCCc2ccncc2)CCO1 257233592 GPVNBQRRMDTYHT-AWEZNQCLSA-N 327.388 1.377 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@H](Cc2cccc(-c3cc[nH]n3)n2)C1 257257254 KOTRULXTBWTVAW-GFCCVEGCSA-N 335.433 1.143 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccccc1OC 257298231 RKTDGJFBLSLKRU-PBHICJAKSA-N 334.416 1.446 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)s1 257316391 VFKCSRUVFOWEBD-QGZVFWFLSA-N 346.456 1.916 0 40 EDAB Cc1cnc(C(=O)N2CCC[C@@H]2c2nccc(CN(C)C)n2)cn1 257246378 ITWOIQKXVPFQGL-OAHLLOKOSA-N 326.404 1.614 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N(C)[C@@H]1CCCN(c2ccccn2)C1 257222326 DSVYRGNXOVWYNE-CQSZACIVSA-N 349.460 1.413 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)c2cn(C)c3ccccc23)CC[C@@H]1O 257226624 FLKHRBGIYBYUNO-RDJZCZTQSA-N 329.400 1.280 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257341687 ZLKSEZLZJISDPX-ZDUSSCGKSA-N 331.376 1.067 0 40 EDAB O=C(c1cccc(O)n1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257274898 NNCVCHNZLXARAC-HNNXBMFYSA-N 341.358 1.095 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2C(=O)N2CCCC2)C1 284497950 HZSLSVLDFRGRCT-ZDUSSCGKSA-N 344.415 1.652 0 40 EDAB COc1cc2c(cc1OC)CCN(S(=O)(=O)[C@@H]1CCOC1)CC2 605318603 BKXLHPTUEKXPGF-CQSZACIVSA-N 341.429 1.223 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)NC1CCN(C(C)C)CC1 1615615070 OAYRJGVLQVJWQI-IBGZPJMESA-N 331.460 1.784 0 40 EDAB CCc1ccccc1CC(=O)N1CCC[C@H](c2nnc(CO)n2C)C1 1615613740 CEWRXYDCERBVOI-INIZCTEOSA-N 342.443 1.819 0 40 EDAB C[C@@H](N[C@H]1CCN(CC2CC2)C1)c1ccc(S(N)(=O)=O)cc1F 1616041479 UQOSSWFKWMLPRX-YPMHNXCESA-N 341.452 1.608 0 40 EDAB CC[C@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@@H](CC)O1 1616031845 CUZSYUFUYWDXPP-SOUVJXGZSA-N 333.440 1.600 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CC2(CCN(C(=O)[C@@H](C)O)CC2)O1 1616031951 GWVQDLFXVGXPHX-JKSUJKDBSA-N 332.444 1.649 0 40 EDAB Cc1cn(CC(=O)NC[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)nn1 585286238 VPVCNCYVWNYKID-QGPMSJSTSA-N 344.415 1.311 0 40 EDAB CCn1cc(S(=O)(=O)NCCn2cncc2-c2ccccc2)cn1 585136983 BIYFEHPQMWAHTJ-UHFFFAOYSA-N 345.428 1.745 0 40 EDAB Cc1noc(C)c1CN1Cc2ccnn2CC[C@@H]1CNC(=O)C1CC1 585096727 BJUVROGAXSKEOO-OAHLLOKOSA-N 343.431 1.789 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc2c(c1)OCCCO2 32282159 WMLJLXITSWRWFE-OCCSQVGLSA-N 347.415 1.816 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)cn1 72234147 PIALAFDQEMENFO-AWEZNQCLSA-N 327.388 1.508 0 40 EDAB COc1cccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cc(C)cn3)[C@H]2O)c1 952844836 MQBXOPIDJCUYGU-HSFUPAIVSA-N 345.399 1.016 0 40 EDAB biogenic,in-vitro Cc1cc(C)cc(OC[C@H](O)Cn2cnc3ncccc3c2=O)c1 55290913 DJWWHZWVWIKHOP-CQSZACIVSA-N 325.368 1.848 0 40 EDAB CCn1nc(C)c(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)c1C 73119233 PAZXVOBGDGUYRP-LLVKDONJSA-N 335.477 1.769 0 40 EDAB C[C@H](CCc1ccccc1F)C(=O)N[C@H]1CCCN(CC(N)=O)C1 80243039 WANQOHOIPIDGKY-HIFRSBDPSA-N 335.423 1.460 0 40 EDAB CN1C[C@@H](C(=O)N2CCC(OCCc3ccccc3)CC2)CC1=O 95956151 WYACJJOQRKWKPX-INIZCTEOSA-N 330.428 1.715 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)N(C[C@H]1CCOC1)C1CC1 106101313 OCVNUABDUKYZIQ-HUUCEWRRSA-N 345.447 1.656 0 40 EDAB Cc1c(S(=O)(=O)N[C@H]2CCCN(CC(F)(F)F)C2)cnn1C 583651694 RFWBDQWUISAZGU-JTQLQIEISA-N 340.371 1.034 0 40 EDAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccc(N2CCOCC2)cc1 17067220 IRNVOGJRZNPZSB-FZKCQIBNSA-N 328.368 1.190 0 40 EDAB Cc1nn(CC(C)C)cc1S(=O)(=O)NC[C@H](C)N1CCCC1 19584266 SLRRUCTXKPENRR-ZDUSSCGKSA-N 328.482 1.610 0 40 EDAB CNS(=O)(=O)CCCN1CCN(c2cccc(Cl)c2)CC1 104095185 XRWVBPNQSLHPLP-UHFFFAOYSA-N 331.869 1.401 0 40 EDAB CC[C@H]1CN(CC(=O)Nc2cc(C(C)C)no2)CCN1C[C@H](C)O 106906785 DEKCVFIMXHVAIC-KBPBESRZSA-N 338.452 1.514 0 40 EDAB COC(=O)C1(CS(=O)(=O)N[C@@H](C)Cc2c(C)noc2C)CC1 583651081 FAHKVFZKOBVISC-VIFPVBQESA-N 330.406 1.095 0 40 EDAB COc1cccc(-n2cc(NC(=O)COC[C@H]3CCCO3)nn2)c1 585124455 DRNZCHVWYAIIAV-CQSZACIVSA-N 332.360 1.410 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)C(=O)NC(C)(C)C 7480682 CQNFUZZVTDVAMH-LLVKDONJSA-N 341.429 1.859 0 40 EDAB O=C([C@@H]1CN(c2ccnc(C3CC3)n2)CCO1)N1CCSCC1 1888834211 ACOPPCRHFYEFOT-ZDUSSCGKSA-N 334.445 1.135 0 40 EDAB CCONC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 23422325 JWGCRMTUOANDEQ-UHFFFAOYSA-N 348.371 1.433 0 40 EDAB O=C(c1ccc(Br)cc1Cl)N1CCN(CCO)CC1 37367626 IGTYROCHVUKKBI-UHFFFAOYSA-N 347.640 1.853 0 40 EDAB COc1cccc2cc(C(=O)N3CC[C@@H](c4ncon4)C3)c(=O)oc12 238825188 DORQOCCCENJJOR-LLVKDONJSA-N 341.323 1.814 0 40 EDAB CN1CCCC[C@]2(CN(Cc3ccc4c(c3)OCCO4)CCO2)C1=O 2037978442 WMHAONSFTIVVIS-IBGZPJMESA-N 346.427 1.671 0 40 EDAB CCN1CCO[C@H]2CCN(C(=O)c3cn(C)nc3C(F)(F)F)C[C@@H]21 1074344170 VPGDBYQALVBNNA-RYUDHWBXSA-N 346.353 1.374 0 40 EDAB Cc1cccc(-c2nnn3c2CO[C@@H](CNC(=O)c2cc[nH]n2)C3)c1 1565547148 LFEOXLMZWFQLKD-ZDUSSCGKSA-N 338.371 1.305 0 40 EDAB CCC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 4520599 PLURJKUKSVGREK-UHFFFAOYSA-N 346.818 1.945 0 40 EDAB CCCS(=O)(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C 5328951 DCPUBQCONHTEBX-UHFFFAOYSA-N 332.447 1.687 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2csc(C)n2)C1 2055772548 SYAGNFCEEPEXBB-OAHLLOKOSA-N 333.417 1.026 0 40 EDAB C/C=C/Cn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 12647566 LJZGFVBYBFIVQT-ONEGZZNKSA-N 325.372 1.612 0 40 EDAB COc1ccc(C)cc1NC(=O)CNC(=O)c1ccc2[nH]nnc2c1 29869264 VIULTXSALNNTCW-UHFFFAOYSA-N 339.355 1.643 0 40 EDAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1CCOCC1 20023928 OZXJRYIPSBLOOT-NSHDSACASA-N 331.372 1.614 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)on1 40485531 CYBNWUXFLYJSCX-UHFFFAOYSA-N 344.419 1.259 0 40 EDAB CC(C)CN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C(C)C 31582347 SBWUQHNNLNRZBN-UHFFFAOYSA-N 338.452 1.639 0 40 EDAB Cc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)n1 40553339 KHRLGHLUKSHXLN-AWEZNQCLSA-N 347.396 1.556 0 40 EDAB Cc1cc(NC(=O)CS(=O)(=O)Cc2nc(C(C)C)no2)no1 40528704 WQSIPBPOOYWIIY-UHFFFAOYSA-N 328.350 1.043 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)Nc1ccc(OC)c(C)c1 51618691 DXICNYDQQNSADX-UHFFFAOYSA-N 329.422 1.455 0 40 EDAB Cc1cc2nc(NC3=N[C@@H](CC(=O)O)C(=O)N3)nc(C)c2cc1C 261070 QDIZAAAYRMOCCF-LBPRGKRZSA-N 327.344 1.296 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)c2ccc3c(c2)OCC(=O)N3)C1 32268443 NLSWDMNEMXDTON-AWEZNQCLSA-N 347.415 1.104 0 40 EDAB Cc1noc(-c2ccc(C(=O)NCCCN3CCCC3=O)cc2)n1 32645284 YGAKNCWIWBLBMU-UHFFFAOYSA-N 328.372 1.787 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(F)c(F)c1F 102399771 DILRBUZYGHBJNI-DTORHVGOSA-N 338.285 1.994 0 40 EDAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 32917478 BLNDZPZPIGJZCQ-QMMMGPOBSA-N 327.387 1.177 0 40 EDAB O=C(CCS(=O)(=O)Cc1ccncc1)N1CCc2ccccc21 32926019 HVFXNTLZXLVLAU-UHFFFAOYSA-N 330.409 1.976 0 40 EDAB Cc1ccc(-c2cc(C(=O)NCC3(C(N)=O)CCOCC3)on2)cc1 52744643 BTCYYZTZZZHASY-UHFFFAOYSA-N 343.383 1.662 0 40 EDAB CC(C)[C@H](C(=O)N1CC[C@@H](C(N)=O)C1)S(=O)(=O)C1CCCCC1 103071017 GCRBRWXMBARJGQ-TZMCWYRMSA-N 344.477 1.092 0 40 EDAB Cc1coc2cc3oc(=O)c(CC(=O)NC[C@@H](O)CO)c(C)c3cc12 8879832 FIHDTINUMCECJV-LLVKDONJSA-N 345.351 1.168 0 40 EDAB biogenic CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1 260180 HZDGWUPMRIQILX-UHFFFAOYSA-N 348.380 1.822 0 40 EDAB NS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCOc3ccccc32)c1 76844479 GRCONCLNBZFMLT-HNNXBMFYSA-N 346.408 1.517 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H](C)c1nncn1C 46964492 BDEFUSVVPWEJPR-LLVKDONJSA-N 331.376 1.837 0 40 EDAB CCn1cnnc1CNC(=O)N(C[C@H]1CCCO1)C[C@H]1CCCO1 46965087 VCJSYIUGFDSVIA-ZIAGYGMSSA-N 337.424 1.168 0 40 EDAB Cn1nnc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)n1 558169 XDKXOZMLCMMMSV-UHFFFAOYSA-N 331.188 1.644 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)CC1 47091822 LHFWXCUPCIPGKJ-OAHLLOKOSA-N 348.447 1.193 0 40 EDAB COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccco1)c1ccccc1 8884327 YMGOQFDNALNHCR-CYBMUJFWSA-N 330.340 1.430 0 40 EDAB O=S(=O)(Cc1cn2ccccc2n1)c1nnc(NC2CC2)s1 83992739 BLNIGYNNXJRYHZ-UHFFFAOYSA-N 335.414 1.734 0 40 EDAB Cc1nc(N2CCC[C@H](NS(C)(=O)=O)C2)nc(C)c1CC(C)C 79026472 HNZJRSYARHTZAV-AWEZNQCLSA-N 340.493 1.810 0 40 EDAB CCOC(=O)c1cnn(C)c1NC(=O)c1noc2c1C[C@@H](C)CC2 2804228 YEKRDVSDQXLNRR-VIFPVBQESA-N 332.360 1.962 0 40 EDAB C[C@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1nnc2ccccn12 22981496 HSFXDRKPMSMGSD-ZDUSSCGKSA-N 347.382 1.860 0 40 EDAB O=C(NCCCOCc1ccco1)[C@H]1CCCN(C(=O)C2CC2)C1 42390770 FUVKQPZDDXNQET-HNNXBMFYSA-N 334.416 1.951 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCCCOCC(C)C)c1 54257018 FBCHSBJHTAJULP-UHFFFAOYSA-N 342.461 1.696 0 40 EDAB Cc1nnc(CNC(=O)CNC(=O)c2cc(F)cc(F)c2)n1C1CC1 97375955 UWSLZMYEUHVXCC-UHFFFAOYSA-N 349.341 1.246 0 40 EDAB CC(C)N1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 106155690 GKBCGAXLEBQRSO-HOTGVXAUSA-N 329.444 1.886 0 40 EDAB Cc1nnc([C@H]2Cc3ccccc3CN2S(=O)(=O)c2c[nH]cn2)o1 97032351 ARIQLBMZCRYMDR-CYBMUJFWSA-N 345.384 1.589 0 40 EDAB COC(=O)c1ccc(F)cc1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 106583853 MAGFWRXEKJNKKI-VHSXEESVSA-N 331.365 1.410 0 40 EDAB Cc1cc(CN(C)C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)no1 25135251 RXNOBMOPXPXYOK-KBPBESRZSA-N 333.388 1.507 0 40 EDAB COC[C@@H](C)NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C 25381443 HRLOQYUDYYGINC-SSDOTTSWSA-N 345.325 1.454 0 40 EDAB C[C@H](NC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1cccnc1 43785290 TXFOURFIAZZJIX-UAGQMJEPSA-N 348.447 1.179 0 40 EDAB Cc1noc(C)c1NC(=O)C(=O)NCc1ccc(-c2ccn[nH]2)cc1 72291042 XLAUYTNQXRPMLC-UHFFFAOYSA-N 339.355 1.936 0 40 EDAB COc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1C(=O)O 3288777 FTBSRFLZBDZZAK-UHFFFAOYSA-N 345.373 1.317 0 40 EDAB Cn1c(CSc2nc(-c3cccs3)n[nH]2)cc(=O)n(C)c1=O 12620392 NCYNCRHGKSLWHU-UHFFFAOYSA-N 335.414 1.223 0 40 EDAB Cc1nn2c(=O)/c(=C\c3ccc(Cl)c(Cl)c3)sc2nc1=O 27019856 BSIDPRKRCSEMNM-BJMVGYQFSA-N 340.191 1.674 0 40 EDAB C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)c2ccc[nH]2)C1=O 27291559 OCKRBYRGXVJTSZ-NSHDSACASA-N 325.324 1.749 0 40 EDAB CN(C1CCN(C(=O)NCc2ccc(F)cc2)CC1)S(C)(=O)=O 58014555 SHQNNFFQQQJGIZ-UHFFFAOYSA-N 343.424 1.391 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccccc1S(C)(=O)=O)c1ccco1 48288509 BGBOSSVFGSDJDD-ZDUSSCGKSA-N 336.413 1.716 0 40 EDAB O=C(NCc1ccnc(OCC(F)(F)F)c1)NC[C@@H]1CCOC1 48274334 BPPPMERXDUHXFG-NSHDSACASA-N 333.310 1.858 0 40 EDAB Cc1noc([C@@H](C)NC(=O)Cc2nn(C)c(=O)c3ccccc23)n1 58115372 ICQVOICLEQTPBY-SECBINFHSA-N 327.344 1.045 0 40 EDAB O[C@H]1O[C@@H]2CC[C@H]3[C@@H]4[C@H]5[C@H]([C@@H]1[C@H]1[C@@H]6CC[C@H]7O[C@H](O)[C@@H]4[C@H]([C@@H]15)[C@@H]67)[C@@H]32 104295066 ZXIFWFADSFFGAB-MTMCMKOFSA-N 330.424 1.457 0 40 EDAB CC(C)c1n[nH]c(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 12751111 HAFALETWBQPXEL-NXEZZACHSA-N 346.478 1.054 0 40 EDAB CCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 2191126 HRIKMRNGFPVAKJ-AWEZNQCLSA-N 326.418 1.883 0 40 EDAB CCCn1nc(C(=O)O[C@H]2C[C@@H](C)OC2=O)c2ccccc2c1=O 12785473 TZRGIDRDZNLPEV-MFKMUULPSA-N 330.340 1.667 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)CNC[C@H]1CNc2ccnn2C1 58304922 HLUVOVKAWJPLTO-HOTGVXAUSA-N 330.432 1.571 0 40 EDAB COCCNC(=O)CNCc1c(C)nn(C)c1Oc1ccccc1 58419989 WBUJTTGRZYMYDQ-UHFFFAOYSA-N 332.404 1.373 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2F)CC1 57355095 HIUVSGURNXZSOF-PBHICJAKSA-N 333.407 1.509 0 40 EDAB CN1CC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O 3337889 VBTOIPGNRKXUAW-UHFFFAOYSA-N 344.198 1.546 0 40 EDAB CS(=O)(=O)Nc1ccc(C(=O)NCCCN2CCCCC2)cc1 10112034 YAIPJZZVYVEHGS-UHFFFAOYSA-N 339.461 1.664 0 40 EDAB C[C@H](NC(=O)c1ccsc1)c1ccc(-n2cc(C(N)=O)nn2)cc1 45790236 FAGMIOFGVSVXRU-JTQLQIEISA-N 341.396 1.919 0 40 EDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc(C2CC2)no1 29434481 PWPQHBAEJYLDKR-VIFPVBQESA-N 334.401 1.546 0 40 EDAB Cc1nc(CCNC(=O)c2ccc(N3CCOCC3)nc2)cs1 29551156 ZAZVNSSIQNTPIR-UHFFFAOYSA-N 332.429 1.656 0 40 EDAB COc1ccccc1OCCNc1nn2c(=O)cc(C)nc2s1 12819978 YUMWGSGYYHSEJU-UHFFFAOYSA-N 332.385 1.959 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc3cccnc23)C1=O 13070736 QJGUTKFPNWRWPV-KRWDZBQOSA-N 326.356 1.894 0 40 EDAB CN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)Cc1ccccc1Cl 13002022 UVQHKDZMXAAHLX-HNNXBMFYSA-N 344.864 1.465 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1csc(S(N)(=O)=O)c1 63690669 WNPMEWXYGGVGSX-CMPLNLGQSA-N 346.474 1.721 0 40 EDAB COc1cc(NS(=O)(=O)c2ccccc2)c(C(N)=O)cc1OC 63634286 RDMNYARBFGPQCY-UHFFFAOYSA-N 336.369 1.604 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCC[C@H]1c1nnc2ccccn12 63765956 UABCLNIJSDKKMY-ZDUSSCGKSA-N 337.449 1.843 0 40 EDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cnn(C)c1)CC(O)=N2 71283657 QXYCZOLZWRXKED-NEPJUHHUSA-N 349.416 1.408 0 40 EDAB O=C(COc1ccc(F)cc1)NC[C@@H](c1ccco1)N1CCOCC1 13626747 KASJKPLZNLUUDL-INIZCTEOSA-N 348.374 1.987 0 40 EDAB COC[C@@H](O)CN(C)C(=O)NCc1ccc(N2CCCCC2)nc1 65446475 RLWCNWFRPXUFCS-HNNXBMFYSA-N 336.436 1.221 0 40 EDAB c1ccc2c(c1)OC[C@H](CNCc1cnc(N3CCOCC3)nc1)O2 65465595 KNZSRTJIKFJAQQ-HNNXBMFYSA-N 342.399 1.243 0 40 EDAB CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1 65550014 YNRKSYPTJGCPPQ-GXFFZTMASA-N 346.449 1.804 0 40 EDAB CCS(=O)(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 65521187 BQCXLWNYBWKODM-AWEZNQCLSA-N 332.853 1.653 0 40 EDAB COc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2)c(OC)c1OC 14185321 VIIYVXADDZUVGS-UHFFFAOYSA-N 344.367 1.993 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2C(=O)OC)CCO1 65611731 SFDHJGVHNWIKDL-LLVKDONJSA-N 331.365 1.412 0 40 EDAB CCC(CC)NC(=O)COC(=O)CCN1C(=O)COc2ccccc21 5565584 OWZCFWOYBYQITO-UHFFFAOYSA-N 348.399 1.650 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1C 9883259 XIODPXLXBFUPDH-UHFFFAOYSA-N 346.474 1.006 0 40 EDAB Cc1ccc2c(n1)-n1c(cnc1C)C1(CCN(S(C)(=O)=O)CC1)N2 306130962 JTMDGMRRVSCFTH-UHFFFAOYSA-N 347.444 1.560 0 40 EDAB CCCn1c(SCC(=O)Nc2ccc(F)cc2F)n[nH]c1=O 5966133 DLHFZJNNHCHNQA-UHFFFAOYSA-N 328.344 1.990 0 40 EDAB CCn1nc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2c1=O 15568336 AAJLEDRQZZKPCP-UHFFFAOYSA-N 349.350 1.838 0 40 EDAB Cc1nc2ccc(C(=O)OCC(=O)NC(=O)NC3CC3)cc2nc1C 7558975 LFAKGDQJUWFZFR-UHFFFAOYSA-N 342.355 1.392 0 40 EDAB NC(=O)C1CCN(C(=O)NCCCc2nc3ccccc3[nH]2)CC1 71793348 YGJIXBARKVXHSN-UHFFFAOYSA-N 329.404 1.402 0 40 EDAB Cc1nn(C)c2ncc(C(=O)O)c(N3CCO[C@@H](C(F)(F)F)C3)c12 71765507 PUWNJMOXPHGGEP-SECBINFHSA-N 344.293 1.742 0 40 EDAB COc1cccc(CNC(=O)CN2C(=O)Cc3ccccc3C2=O)c1 8249037 BHBVJSHFMKMNMI-UHFFFAOYSA-N 338.363 1.537 0 40 EDAB O=C(CN1CCCCC1=O)NC1(c2cccc(F)c2)CCOCC1 96432004 UURBHRTVGHTGQS-UHFFFAOYSA-N 334.391 1.960 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2F)CC1 70040902 ICGGOUJYEDZFMB-SNVBAGLBSA-N 345.212 1.727 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)[C@@H]1COc2ccccc2C1 69416443 LPWLGDMDBGAATR-ZDUSSCGKSA-N 326.352 1.984 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1cnc(-c3ccccn3)s1)C2 69453521 HZSGCLOJUNZCCU-UHFFFAOYSA-N 326.385 1.761 0 40 EDAB Cc1cnn(C[C@@H]2CN([C@H](C)C(=O)Nc3cc(C)on3)CCO2)c1 69452194 BRTWOQGBZIEDDR-KGLIPLIRSA-N 333.392 1.216 0 40 EDAB Cc1ccc(C(=O)NS(=O)(=O)c2cccc3cnccc23)c(=O)[nH]1 69594149 CUMDXWHSKFMICL-UHFFFAOYSA-N 343.364 1.350 0 40 EDAB C[C@@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CCc2sccc2C1 69535554 NFMIWXOSJFXQQW-YPMHNXCESA-N 331.445 1.217 0 40 EDAB CNC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(C(=O)OC)C2)c(C)c1 69585042 GDMSQUOLXPJMNS-CYBMUJFWSA-N 348.403 1.707 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)c1ccc(OCc2ccccc2)nc1 69581817 HBJFTQIBXIXIJJ-ZDUSSCGKSA-N 327.384 1.915 0 40 EDAB C[C@H]1CN(C[C@H](O)COCc2ccco2)CCN1Cc1nccn1C 69535714 NBZLGOWMVAGNSP-HOTGVXAUSA-N 348.447 1.097 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCCC[C@@H]1Cn1cncn1 71876241 FWGGQABSLDRRPB-HUUCEWRRSA-N 345.451 1.510 0 40 EDAB CN(C(=O)CCOC[C@H]1CCCO1)[C@@H]1CCN(c2ccccc2)C1=O 71896560 JEKWTLSNUBLEAZ-IAGOWNOFSA-N 346.427 1.836 0 40 EDAB O=C(CNC[C@H]1CCCN1c1cccnn1)NCCc1ccccc1 71859849 RXEYGPYAKXWHIC-QGZVFWFLSA-N 339.443 1.394 0 40 EDAB CC[C@H]1CCCCN1CCNC(=O)Cn1nc2n(c1=O)CCCCC2 69737368 NWNVZJFFWGMEQJ-HNNXBMFYSA-N 349.479 1.152 0 40 EDAB CNC(=O)c1ccc(NC(=O)N2CCCN(C(=O)OC)CC2)cc1 69770209 WCQHQUZSCJWZCB-UHFFFAOYSA-N 334.376 1.352 0 40 EDAB COC[C@]1(O)CCN(C(=O)CN(C)Cc2ccccc2)CC1(C)C 91952342 HXYRTUHHRMJDRJ-LJQANCHMSA-N 334.460 1.754 0 40 EDAB COC(=O)N1CCC[C@H](C(=O)NCCOc2ccccc2OC)C1 69875575 NIVSDLLMSLDSLO-ZDUSSCGKSA-N 336.388 1.669 0 40 EDAB Cc1cnn(CCN[C@@H](C(N)=O)c2ccc(Br)cc2)c1 69969905 CIEHGXGIENINOI-CYBMUJFWSA-N 337.221 1.770 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)[C@H](C)c2cc(C)oc2C)CC1 69930080 YLVUSTJGZFGTDB-ZBFHGGJFSA-N 338.448 1.542 0 40 EDAB COCC(=O)N[C@H](C(=O)NCc1ccccc1N1CCCC1)C(C)C 71921773 TXPGSURNZVHZON-SFHVURJKSA-N 347.459 1.690 0 40 EDAB NC(=O)c1cccc(OCC(=O)N2CCC[C@@H](n3cccn3)C2)c1 71924412 WDKITEGZMXLETD-CQSZACIVSA-N 328.372 1.225 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)Cn1cnc2cnccc2c1=O 97237159 GJQOWTPBJQLQLA-CQSZACIVSA-N 325.368 1.848 0 40 EDAB COC(=O)[C@H]1CCCC[C@]1(C)NS(=O)(=O)c1cn(C)c(C)n1 95443828 OQGGFALKOVMMII-RISCZKNCSA-N 329.422 1.129 0 40 EDAB O=C(NCc1ncc[nH]1)c1ccc(Br)cc1-n1cncn1 95442874 RSTBXMCIQMJRES-UHFFFAOYSA-N 347.176 1.683 0 40 EDAB Cc1cc2ncn(C[C@@H](O)Cn3cnc([S@](C)=O)n3)c2cc1C 95438958 TUJSOYVOFIVIOB-SFDCACGMSA-N 333.417 1.043 0 40 EDAB COc1ncncc1NC(=O)C(=O)N[C@@H](C)c1cc(C)sc1C 95461297 LCZKYUMLONQEOT-VIFPVBQESA-N 334.401 1.979 0 40 EDAB Cc1noc(C)c1CN1CCCN(C(=O)NC[C@H]2CCCO2)CC1 98211908 RGZSZSABBRAJLO-OAHLLOKOSA-N 336.436 1.688 0 40 EDAB COCc1nn(Cc2cn3cc(Cl)cc(Cl)c3n2)c(=O)o1 95990897 DDAIDBUXLPITKW-UHFFFAOYSA-N 329.143 1.986 0 40 EDAB Cc1noc(C)c1CNC(=O)N1CCN(Cc2cccnc2)CC1 95955152 DQGYQHZXKCFKOZ-UHFFFAOYSA-N 329.404 1.714 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)c(=O)[nH]1 75124440 FIJRITVIWGVLEF-UXLLHSPISA-N 349.475 1.742 0 40 EDAB Cc1cc(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)on1 89608688 WRVDFFDXGSOLBN-OAHLLOKOSA-N 329.356 1.027 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(Cc3ncc(C(C)(C)C)o3)C2=O)cn1 89725188 UQODBECNOSHQSI-LBPRGKRZSA-N 330.388 1.823 0 40 EDAB CCN(CC)CC(=O)NCCC(=O)N1CCOc2ccccc2C1 89967910 DAOHIYBDNKWDBE-UHFFFAOYSA-N 333.432 1.256 0 40 EDAB O=C(/C=C/c1ccsc1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 76067789 IMBRMRCCCJLNLW-ISUDXETCSA-N 337.426 1.956 0 40 EDAB S=C(NCCN1CCOCC1)NNc1ccc2ccccc2c1 25194912 CTBZRSDSWSZMIL-UHFFFAOYSA-N 330.457 1.963 0 40 EDAB O=C1CC[C@@H](NC(=O)c2cccc(Cn3ccnc3)c2)[C@H](C2CC2)N1 556479508 CCROOBKBOZLPOU-AEFFLSMTSA-N 338.411 1.718 0 40 EDAB O=C(c1cnccn1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 306123568 AQMFGGCTSBJUJB-AWEZNQCLSA-N 349.398 1.452 0 40 EDAB CNC(=O)c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1 36354747 XGCXOQOHKZYJMY-UHFFFAOYSA-N 328.250 1.629 0 40 EDAB Cc1cccc(F)c1S(=O)(=O)N1CC[C@@H](C(=O)O)C(F)(F)C1 516891942 SJANHNSEPCYQCW-VIFPVBQESA-N 337.319 1.865 0 40 EDAB CCc1nc2c(s1)[C@H](N(C)C(=O)C(=O)Nc1cnn(C)c1)CCC2 125141012 CTIYLCOEMQCUPP-GFCCVEGCSA-N 347.444 1.914 0 40 EDAB NS(=O)(=O)c1cc(C(=O)NCc2cccc(F)c2)cc2c1CCC2 78553985 KRNGYHONMCXVFZ-UHFFFAOYSA-N 348.399 1.892 0 40 EDAB COCCN1C[C@@H](c2nc3ccccc3n2CC(=O)OC)CC1=O 76555357 UVYTZDWEDRZZDR-LBPRGKRZSA-N 331.372 1.172 0 40 EDAB CC(C)OC(=O)N1CCC(OC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 79037209 MNIMFPKPUCZUKL-GFCCVEGCSA-N 347.433 1.364 0 40 EDAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(S(N)(=O)=O)cc1 32768394 RDHBMDPRGZPHNC-BDJLRTHQSA-N 346.408 1.515 0 40 EDAB CCNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327657 RRQBFCZFRZMXFV-BFUOFWGJSA-N 344.411 1.928 0 40 EDAB CC(C)OCCCNC(=O)c1ccccc1CN1C(=O)CNC1=O 32904291 HIDHXKOYTXOHNO-UHFFFAOYSA-N 333.388 1.283 0 40 EDAB CC(C)[C@H](C(=O)/N=c1\[nH]nc(-c2ccccc2F)[nH]1)N1CCCC1=O 79099364 NEGZKCHWNRDYQR-CQSZACIVSA-N 345.378 1.618 0 40 EDAB Cc1cc(CNC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)on1 78394303 KSEZNFDIUSFJRV-UHFFFAOYSA-N 344.371 1.356 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)CCO3)cc1 32795493 CPXRLAQWOIQMDS-UHFFFAOYSA-N 346.408 1.241 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(F)cc2F)s1 36182932 FKCUIDVZMJJDRC-UHFFFAOYSA-N 334.329 1.576 0 40 EDAB O=C(NCC1(c2ccccc2)CCOCC1)C(=O)Nc1cccnc1 49513211 IWOVEAGLZUWJJE-UHFFFAOYSA-N 339.395 1.885 0 40 EDAB CCOc1ccccc1N1C(=O)C(=O)N(CCn2cc(C)cn2)C1=O 225439513 CCIBIKCQHVCLMY-UHFFFAOYSA-N 342.355 1.586 0 40 EDAB CCc1nc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2cc(C)ncn2)co1 1061956381 MLXYOSFWPMBSDC-BETUJISGSA-N 327.388 1.829 0 40 EDAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccsc1 46214094 POZUKYTUGWACOW-GJZGRUSLSA-N 335.473 1.726 0 40 EDAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)NCCN1CCOCC1 225737204 FTNIORJLOKPYMO-UHFFFAOYSA-N 349.818 1.103 0 40 EDAB Cc1ccc(-n2nnc(C(=O)NCc3csc4ncnn34)n2)cc1 75163443 LQDVUMVRHIHFNC-UHFFFAOYSA-N 340.372 1.005 0 40 EDAB O=C(Cc1ccccc1F)N1CCc2nc3ccccn3c(=O)c2C1 225778364 VOPIESGJEKEHCK-UHFFFAOYSA-N 337.354 1.961 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccco2)ccc1OC 223877815 PHSKEVJVKNZCSS-UHFFFAOYSA-N 338.385 1.469 0 40 EDAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCC1 225495976 ZRNFDEFISMPAEY-LBPRGKRZSA-N 326.418 1.472 0 40 EDAB COc1ccc(CCS(=O)(=O)NCC[C@@H](O)c2ccco2)cc1 77111806 ZZQXWTWBPNUSQJ-OAHLLOKOSA-N 339.413 1.874 0 40 EDAB C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)C[C@H](C)O1 40466429 JYHFKFDBKJJPIQ-RYUDHWBXSA-N 341.433 1.049 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@@H](O)c2csc3ccccc23)c1 225696968 YKZILINRYGNVLT-GFCCVEGCSA-N 337.426 1.647 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 96428413 MJCMGHMNELNXMX-FRRDWIJNSA-N 342.509 1.780 0 40 EDAB CN(C)S(=O)(=O)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 96206772 DURFLOHADIYOHT-HIFRSBDPSA-N 325.434 1.369 0 40 EDAB Cc1cccc(CN2C[C@@H]3CN(Cc4nccn4C)C[C@@H]3C2=O)n1 96080760 FBXQMCJWYTVKCA-HOCLYGCPSA-N 325.416 1.214 0 40 EDAB O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCSCC1 95472440 LSNMNWQRNJEERS-NSHDSACASA-N 330.413 1.491 0 40 EDAB O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 583325687 VWYLCYZJAKCAPB-KBUPBQIOSA-N 349.431 1.378 0 40 EDAB O=C(c1cscn1)N1CCn2cc(CN3CCCCC3)nc2C1 96197262 DXWOTRJKCKMBNC-UHFFFAOYSA-N 331.445 1.982 0 40 EDAB COc1ccc(CC(=O)N2CCC(S(C)(=O)=O)CC2)cc1OC 96098202 FTMKBVPEBANJCN-UHFFFAOYSA-N 341.429 1.282 0 40 EDAB Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(C4CCCC4)C[C@H]3O2)cn1 96042815 CSKZRDGYPQFUHM-BMGDILEWSA-N 344.459 1.823 0 40 EDAB c1ccc(OCc2nnc3n2CCN(Cc2ccoc2)CC3)nc1 96058874 UDJKJXCJLKNPOI-UHFFFAOYSA-N 325.372 1.903 0 40 EDAB Cc1cccc(C(=O)N2CCC3(CC2)CN(CC2CC2)C(=O)CO3)n1 96201406 QPRNWWULFFQDRV-UHFFFAOYSA-N 343.427 1.634 0 40 EDAB Cc1ccc(CN2CCN(C(=O)C(C)C)C[C@@]3(CCCC(=O)N3)C2)o1 96238354 HEJLWUCABPDIRJ-LJQANCHMSA-N 347.459 1.927 0 40 EDAB Cc1ccc(C(=O)N2C[C@H]3OCC(=O)N(Cc4ccncc4)[C@@H]3C2)o1 96246374 FNXYEMHGTLRJCR-GDBMZVCRSA-N 341.367 1.235 0 40 EDAB Cc1ccc(C)c(NC(=O)COC(=O)c2c(C)nc(N)nc2C)c1 584907947 NDLNPWNCPCBQQA-UHFFFAOYSA-N 328.372 2.088 0 40 EDAB C[C@H]1CN(C(=O)c2cccc(OCc3nnnn3C)c2)C[C@@H](C)O1 96101350 OKVZNKCMNITDRW-TXEJJXNPSA-N 331.376 1.039 0 40 EDAB CCOC(=O)c1n[nH]c(CNC(=O)c2cc(C)nc3onc(C)c23)n1 584908884 BCZKXJOPSOPZPA-UHFFFAOYSA-N 344.331 1.064 0 40 EDAB Cc1cnc(C(=O)N2C[C@@H]3OCCN(Cc4ccc(C)o4)[C@@H]3C2)cn1 96248796 ILBXVOLMBVNBLI-SJORKVTESA-N 342.399 1.412 0 40 EDAB COCCOc1cccc(C(=O)N2CC[C@H](c3cc(O)n[nH]3)C2)c1 585130619 WUBJVGVRFGYPFG-ZDUSSCGKSA-N 331.372 1.770 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 97953886 IVMLATDHJQQCMR-FPMFFAJLSA-N 328.372 1.888 0 40 EDAB O=S(=O)(NC[C@H]1CCC2(CN(Cc3ccco3)C2)OC1)C1CC1 247291692 BIBMFEXBGNLJIP-CYBMUJFWSA-N 340.445 1.342 0 40 EDAB CN(C(=O)c1cn(C)cn1)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257205271 AYIBRJWDOVLFAX-BZUAXINKSA-N 330.388 1.248 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)CCc2cc(OC)no2)CCO1 257208996 BONDGZJPWHRVRT-LBPRGKRZSA-N 347.375 1.048 0 40 EDAB CN(c1ccncn1)C1CC2(CCN(C(=O)[C@@H]3CCCCO3)C2)C1 257259787 KZZUFBAZBPCZRC-CSLYMUCUSA-N 330.432 1.863 0 40 EDAB COC(=O)[C@@H](Sc1nnc2nc(O)c(C)nn12)c1ccsc1 252498700 RIVYKIXFWLEZBJ-QMMMGPOBSA-N 337.386 1.601 0 40 EDAB CC(C)c1nnc(CCC(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)o1 257338812 YZAZKNQMBXULRV-UONOGXRCSA-N 348.447 1.985 0 40 EDAB O=C(Cc1ccc(O)cc1)N1CCC[C@](O)(CN2CCOCC2)CC1 257271903 NAGLHTNMQROZFG-LJQANCHMSA-N 348.443 1.011 0 40 EDAB O=C(NCCc1ccncc1)[C@H]1CN(c2ccc(F)cc2)CCN1 257334732 YHDSFWRBOWPCOQ-QGZVFWFLSA-N 328.391 1.358 0 40 EDAB C[C@H](NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C)C(=O)NCCF 252538277 MVBWFCBYXUZXER-YNEHKIRRSA-N 331.432 1.601 0 40 EDAB CCCn1cc(-c2nccnc2C2CCN(S(C)(=O)=O)CC2)cn1 257309338 UAOLYSRCWQTEHZ-UHFFFAOYSA-N 349.460 1.889 0 40 EDAB CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccc2c(c1)CCO2 537367355 CZHXRLQSMWPXLW-UHFFFAOYSA-N 346.383 1.017 0 40 EDAB O=C(N[C@H](CO)CC1OCCO1)N[C@H]1CCCOc2ccccc21 1615054989 DXJPUEFJNGBZJO-JSGCOSHPSA-N 336.388 1.323 0 40 EDAB O=C(Nc1ccc(C(F)(F)F)nc1)N1CCC[C@@H](CO)[C@H]1CO 1615056202 IAFFAAZXMHYJKD-GXSJLCMTSA-N 333.310 1.698 0 40 EDAB COc1cccc([C@@H](C)C(=O)N[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1615586554 OPIYBTCHEPUYBO-TZMCWYRMSA-N 342.399 1.454 0 40 EDAB Nc1ccn2ncc(C(=O)N3CCO[C@@H](C(F)(F)F)CC3)c2c1 1615545738 IAEKRQKDNFHQBL-GFCCVEGCSA-N 328.294 1.710 0 40 EDAB Cc1cn(C)nc1CNc1ccccc1C(=O)N1CCC[C@@H]1CO 1615616562 UNQMADPJMOARCR-CQSZACIVSA-N 328.416 1.938 0 40 EDAB CC[C@H]1CN(c2nnnn2Cc2cccc(CO)c2)C[C@H](CC)O1 1616033616 RHHANJIBBLXFLM-HOTGVXAUSA-N 331.420 1.608 0 40 EDAB COc1cccc(C(=O)NC2CCN(c3cnsn3)CC2)c1OC 575617055 WKHQTHNVLSEOCM-UHFFFAOYSA-N 348.428 1.954 0 40 EDAB COCCOc1cc(C)ccc1NC(=O)N1CCO[C@@H](C(=O)O)C1 669496599 NTFMEEVKIHSERE-CQSZACIVSA-N 338.360 1.338 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H]2C(=O)NCC2(C)C)c2ncccc2c1 585094256 YADHZJUOHPAEHC-CQSZACIVSA-N 333.413 1.346 0 40 EDAB CCCCC(=O)N1CCn2cc(CC(=O)N3CC=CC3)nc2[C@H]1C 585098520 UMVKDHPYTMZUCT-CQSZACIVSA-N 330.432 1.917 0 40 EDAB Cc1nnc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cn12 65199071 KMYLZQYUWWSSOJ-UHFFFAOYSA-N 346.368 1.610 0 40 EDAB NC(=O)CN1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 69348776 OHPAPCUDSIVXNC-UHFFFAOYSA-N 349.862 1.781 0 40 EDAB Cc1cc(C)n(-c2ccc(CC(=O)N[C@@H]3CCCCNC3=O)cc2)n1 44939692 VZSYYGSPPOTCJJ-QGZVFWFLSA-N 340.427 1.817 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCO[C@H](C)C1 72304232 MWPAFCAAWUWMAQ-IAGOWNOFSA-N 346.475 1.627 0 40 EDAB COc1cc(F)ccc1NC(=O)CS[C@H]1CCS(=O)(=O)C1 56844194 DGNOVRJCKOGYNW-JTQLQIEISA-N 333.406 1.693 0 40 EDAB Cn1cc(N2CCN(C(=O)Cc3ccc4c(c3)CCO4)CC2)cn1 74392701 YOMLDNDFPGDDRV-UHFFFAOYSA-N 326.400 1.246 0 40 EDAB CCn1nc(C)c(NC(=O)C(=O)NCc2ccccc2CO)c1C 83836713 STUJRHXUGXEWDU-UHFFFAOYSA-N 330.388 1.267 0 40 EDAB Cc1ccccc1[C@H](NC(=O)NCCN1C(=O)CNC1=O)C(C)(C)C 80139911 LMSUYFMGFBDBTH-HNNXBMFYSA-N 346.431 1.933 0 40 EDAB Cn1c(C2CC2)nc2c1CCN(CC(=O)NC(C1CC1)C1CC1)C2 84310779 RFDWHLQHZPTVEP-UHFFFAOYSA-N 328.460 1.960 0 40 EDAB O=C([C@H]1CCCO1)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1 12144708 XESHDWLJGGZCPP-OAHLLOKOSA-N 325.368 1.501 0 40 EDAB C[C@H]1CCc2c(sc3ncn4c(=O)n(CCC(N)=O)nc4c23)C1 12145255 SXALXQWNCINAAA-QMMMGPOBSA-N 331.401 1.106 0 40 EDAB Cc1cnc(-c2nc(O)c3c(n2)CN(C(=O)[C@H]2CCCO2)CC3)cn1 13227850 WTTVJUNKZGQSPV-CQSZACIVSA-N 341.371 1.011 0 40 EDAB C[C@@H]1CCCN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)C1 13671435 GLIICBKBXMTBSN-GFCCVEGCSA-N 328.409 1.850 0 40 EDAB CNc1cc(CCNC(=O)c2cccnc2)nc(-c2ccncc2)n1 19592310 FCOAMNAEQRADBJ-UHFFFAOYSA-N 334.383 1.948 0 40 EDAB COCCC(=O)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 19593257 XGYHSDKNWNFNQN-UHFFFAOYSA-N 332.400 1.643 0 40 EDAB CC(C)[C@H](Cn1cncn1)NC(=O)c1ccc(N2CCOCC2)cc1 575615135 BZRCLEJKHNCLGN-KRWDZBQOSA-N 343.431 1.569 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccccc2C(=O)OC)C1=O 4308334 MMHWQGVUJSOJKE-UHFFFAOYSA-N 347.371 1.522 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccncc5)C[C@H]4C3)n1)CCC2 1888866484 QOPKFIKPFQQTCT-IYBDPMFKSA-N 349.438 1.877 0 40 EDAB CCN=c1nc(N2CCN(Cc3cc(F)cc(F)c3)CC2)cc[nH]1 1889130267 LIYFSZCDFNYOII-UHFFFAOYSA-N 333.386 1.931 0 40 EDAB O=C(CCN1C(=O)CCC1=O)OCc1nc(-c2ccc(F)cc2)no1 21522653 BSBDVHCSYDXSRZ-UHFFFAOYSA-N 347.302 1.458 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)CN2CCCCCC2=O)c1 22549214 JXENJFRJGHZADK-UHFFFAOYSA-N 328.376 1.218 0 40 EDAB CS(=O)(=O)CCC(=O)N1CC2(C[C@@H](NC3CCCC3)CS2)C1 2056225257 NHEKFHKPUKZLKE-CYBMUJFWSA-N 346.518 1.040 0 40 EDAB CC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(c2cccc(C)c2C)C1=O 9420447 ZDCKFKSGUHJDDK-CYBMUJFWSA-N 329.278 1.754 0 40 EDAB O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CC1 17178412 AHLLJQCHWVHZCU-QGZVFWFLSA-N 345.443 1.235 0 40 EDAB COC[C@H]1CN(C(=O)C2CC(F)(F)C2)Cc2nnn(CC3CC3)c21 2055750977 UDJQSSWHVABHEC-GFCCVEGCSA-N 340.374 1.806 0 40 EDAB COc1ccc(CC(=O)N[C@@H]2CCc3onc(CN(C)C)c3C2)cc1 2055730242 PBTKFZPWLLRAFQ-CQSZACIVSA-N 343.427 1.961 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)C2CC2)cc1 206711703 DGCZTFAUOFOKFM-CQSZACIVSA-N 328.390 1.304 0 40 EDAB CO[C@@H](CNS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccco1 206865017 JXYPWBUWXJWUNE-HNNXBMFYSA-N 338.385 1.904 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NCc1cn(-c2ccncc2)nn1 575414802 VJAFSVSBYXXREN-UHFFFAOYSA-N 347.375 1.588 0 40 EDAB CC(C)(C)c1cc(C(=O)NCc2nc(-c3cccnc3O)no2)[nH]n1 575615952 HWCYHOJVAIOYAW-UHFFFAOYSA-N 342.359 1.788 0 40 EDAB O=C(CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N1CCc2ccccc21 2298048043 YECKPHVDYYWXRJ-WBVHZDCISA-N 349.434 1.857 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 485974 IEMDPPNEUUFQGC-LSDHHAIUSA-N 344.436 1.965 0 40 EDAB biogenic CN1N=C(C(=O)NCc2ccc(N3CCCC3=O)cc2)CCC1=O 10455499 WOIMCRGQWKBBTF-UHFFFAOYSA-N 328.372 1.038 0 40 EDAB CCOC(=O)c1oc2ccccc2c1NC(=O)CN1CCN(C)CC1 20066015 SIOZQNMWDFVKAB-UHFFFAOYSA-N 345.399 1.795 0 40 EDAB C[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)N(C)c1ccccc1 40105116 XUGIYEBOZFGZRS-LLVKDONJSA-N 342.852 1.877 0 40 EDAB Cc1ccc([C@](O)(CCNC(=O)c2ccc[nH]c2=O)C(F)(F)F)o1 30597314 ATTCBZFJPYTMRV-CQSZACIVSA-N 344.289 1.846 0 40 EDAB CC(=O)NCCCNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C 31242487 ZVDKTCBQYTZKAK-UHFFFAOYSA-N 332.379 1.884 0 40 EDAB COc1ncccc1C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 40496195 KTUNXUDUJHWTED-OAHLLOKOSA-N 345.399 1.795 0 40 EDAB COc1cccc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)c1 40488263 GBPYNQBVIWCYER-HNNXBMFYSA-N 326.418 1.409 0 40 EDAB O=C(CCNc1ncccn1)NC[C@@H](c1ccco1)N1CCCC1 40553265 OKLZJSJCJVOGLA-AWEZNQCLSA-N 329.404 1.825 0 40 EDAB CC[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)C1 40520163 USPDEUUYYWRCDB-AWEZNQCLSA-N 339.461 1.729 0 40 EDAB Cn1ccc(C(=O)NCCOc2cccc3c2OC(C)(C)C3)cc1=O 40510264 SXUMJUNPFKDFIQ-UHFFFAOYSA-N 342.395 1.908 0 40 EDAB CN(CCCOc1ccccc1)C(=O)CN1CCC(C(N)=O)CC1 51185928 VFGPKBAJKPIEAC-UHFFFAOYSA-N 333.432 1.111 0 40 EDAB Cc1ccc(CCNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101163098 XLRPJWMJLZNSFL-UOVPBQLFSA-N 338.407 1.461 0 40 EDAB Cc1nc(-c2ccccc2)sc1C(=O)NCC(=O)NCC(=O)O 20726171 PAFXMUXEKGZHBW-UHFFFAOYSA-N 333.369 1.049 0 40 EDAB CN(CC(=O)NCCc1ccc2c(c1)OCO2)c1ccc(Cl)nn1 32795675 UZOYYBXIIBEBAB-UHFFFAOYSA-N 348.790 1.654 0 40 EDAB O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1cccs1 21486339 HUWNUJKFNJLNQV-UHFFFAOYSA-N 343.452 1.822 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)CCc1nc(-c2cccs2)no1 21637841 OFJBRKRMNOLFLN-UHFFFAOYSA-N 336.417 1.762 0 40 EDAB COc1ccc(C)cc1CN(C)C(=O)[C@@H]1CCCN1S(C)(=O)=O 52610153 DNUOAQIAIPXDMS-AWEZNQCLSA-N 340.445 1.386 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102966719 NFIZDXNDGOWHIO-MGBSGCIJSA-N 342.370 1.591 0 40 EDAB Cc1cccc(N2C(=O)c3sc4nc(=O)c(C)nn4c3C2=O)c1C 113474 KLSZZLXFWHNORG-UHFFFAOYSA-N 340.364 1.877 0 40 EDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccc(F)cc2)C1 485515 KYVBWCCOVZXRHI-QWHCGFSZSA-N 348.399 1.795 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@H](C)[C@@H](N(C)C)C1 78894422 UHIQCWICPXNBPQ-NHYWBVRUSA-N 330.436 1.082 0 40 EDAB O[C@@H](CN1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1)Cn1cccn1 78900988 CFEXIWDKBHPIAF-RYUDHWBXSA-N 343.353 1.866 0 40 EDAB CC(C)c1n[nH]c(NC(=O)CC2(Cn3cnnn3)CCCCC2)n1 79494628 IAJSRGGWFWGGDV-UHFFFAOYSA-N 332.412 1.894 0 40 EDAB O=C(COc1ncnc2sccc12)NC(=O)NCc1ccco1 3496981 YDBLJCGAIFTXKX-UHFFFAOYSA-N 332.341 1.689 0 40 EDAB CS(=O)(=O)/N=C(\O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 42279166 USJFCVMGDDXUKC-UHFFFAOYSA-N 346.355 1.733 0 40 EDAB CCOCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n1C 2917020 SRXMDJAJYRFJRN-UHFFFAOYSA-N 328.372 1.343 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2ccccc2)CC1 22933400 GMYAREHSUVPEFU-CQSZACIVSA-N 341.463 1.399 0 40 EDAB CCc1ccccc1N(CC(=O)NCc1ccccn1)S(C)(=O)=O 886234 PXXJQOXTJRQFDO-UHFFFAOYSA-N 347.440 1.726 0 40 EDAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCCC2)cc1 814455 ULHQGGHWTBOVKI-AWEZNQCLSA-N 336.413 1.297 0 40 EDAB O=C(NCCCN1CCc2ccccc21)NCc1nnc2n1CCC2 61646357 XRYKKYDMTXHLND-UHFFFAOYSA-N 340.431 1.476 0 40 EDAB CCCn1nc(C(=O)N[C@H]2CCCCNC2=O)c2ccccc2c1=O 42477484 HTWCFNPGXGLYGW-AWEZNQCLSA-N 342.399 1.205 0 40 EDAB NC(=S)SC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12 6576005 RIGXAYDTYVPTJC-UHFFFAOYSA-N 340.433 1.878 0 40 EDAB CC(C)=CC(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 7651874 LRCBKDSQVWIWCS-UHFFFAOYSA-N 339.413 1.717 0 40 EDAB Cc1cc(C)cc(OCCN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)c1 54417896 ACCIMYMVQQQLCW-UHFFFAOYSA-N 341.415 1.784 0 40 EDAB CSCC[C@H](NC(=O)CCNC(C)=O)c1nc2ccccc2[nH]1 12484738 TZPUBKFFZRHWFX-AWEZNQCLSA-N 334.445 2.000 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccc(C)c(Cl)c3)N2N1 10152944 UOSKEXZUAZVQNM-GFCCVEGCSA-N 347.806 1.903 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)NCc1cccnc1N1CCOCC1 43014992 DRJLACGQULJWAH-NSHDSACASA-N 347.337 1.502 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 50429494 AYDUEUSNFOTTIK-CQSZACIVSA-N 344.411 1.865 0 40 EDAB C[C@H](NC(=O)N[C@H](C)c1nncn1C)c1ccc2c(c1)OCCO2 43481540 JJTWYNWZAABUCA-WDEREUQCSA-N 331.376 1.708 0 40 EDAB Cc1noc(C)c1C[C@H](C)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 107057866 IJXIYWFMEYNOFO-AHIWAGSCSA-N 335.448 1.649 0 40 EDAB CO[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2C)C1 107353678 KXYREZSFHVOFDV-HUUCEWRRSA-N 342.465 1.012 0 40 EDAB CCCc1nc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cs1 26041437 HNSHKYNTWLBCET-UHFFFAOYSA-N 341.458 1.556 0 40 EDAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](C)(O4)[C@@H]3C2=O)c1 100179261 LUPTVSCTZKBZQL-AHXJXLJNSA-N 327.336 1.696 0 40 EDAB CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NC[C@@H](C)O 71922292 ZBLSEKMKBVZBMR-MRVPVSSYSA-N 340.401 1.238 0 40 EDAB C[C@H](O)[C@@H](Nc1ncnc2ccc(Br)cc12)C(=O)O 1912291 YIWQPMVXTVANDH-QUBYGPBYSA-N 326.150 1.638 0 40 EDAB COC(=O)c1ccc(CN(C)c2nc3c(cnn3C)c(=O)[nH]2)cc1 57841403 IZZODHKMZVOXGM-UHFFFAOYSA-N 327.344 1.080 0 40 EDAB COc1cccc(CN(C)C(=O)NCc2nnc3n2CCC3)c1OC 44895344 ARNBYUNYFJWYTH-UHFFFAOYSA-N 345.403 1.583 0 40 EDAB NC(=O)[C@H](OC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 10206779 KDRJLQHEDCWYKY-MRXNPFEDSA-N 337.335 1.166 0 40 EDAB O=C(CC(F)(F)F)N1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 58287361 CLAUNSBDQKAEQJ-ZDUSSCGKSA-N 342.317 1.613 0 40 EDAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NS(C)(=O)=O)CC1 58265554 NMFSYTCDYASMFV-GFCCVEGCSA-N 329.441 1.578 0 40 EDAB Cc1nc(C)c(CC(=O)NCc2cccnc2OC(C)C)c(=O)[nH]1 44978170 ULYHDVMFJJOKAS-UHFFFAOYSA-N 330.388 1.428 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCCOCCOC)c(C)c1 58330820 FDKSOCOIMVWVKS-UHFFFAOYSA-N 331.434 1.725 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 58392507 ZKYTUMPFKPYHMH-MRXNPFEDSA-N 329.444 1.765 0 40 EDAB C[C@H](N[C@H]1CCS(=O)(=O)C1)c1nc(N)nc(Nc2ccccc2)n1 58305199 QIDKNMOZHGQSRQ-JQWIXIFHSA-N 348.432 1.035 0 40 EDAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCCCC2)cc1 3351813 BOEFVMZSMXYHFN-UHFFFAOYSA-N 325.434 1.361 0 40 EDAB CC[C@]1(C)NC(=O)N(NC(=O)CNc2ccc(F)c(Cl)c2)C1=O 28658610 SHTOAOPPRBPPTQ-AWEZNQCLSA-N 342.758 1.643 0 40 EDAB O=C(Nc1ccc(I)cc1)c1ccc(=O)[nH]n1 3340822 PRBMCJMOGPGKLP-UHFFFAOYSA-N 341.108 1.627 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)Nc1cccc(-c2nnnn2C)c1 11336812 VSANPRPGRGKGEG-UHFFFAOYSA-N 325.376 1.409 0 40 EDAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N(CCO)CCO 11566232 OHFKQMUTNZQRPE-UHFFFAOYSA-N 328.217 1.277 0 40 EDAB CS(=O)(=O)NCCCNC(=O)c1cc(-c2ccccc2F)on1 48326603 JPXRJEVONGGYDM-UHFFFAOYSA-N 341.364 1.150 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H](C)[C@H]1CCCO1 48319811 VSWCUVRYJFKZGF-SWLSCSKDSA-N 342.399 1.367 0 40 EDAB CCCCN(C(=O)NCCC)c1c(N)n(CCC)c(=O)[nH]c1=O 12847278 YKZWGLNBLIBYIV-UHFFFAOYSA-N 325.413 1.255 0 40 EDAB C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCCC1 8761969 MISXIPXBOVSPCJ-LBPRGKRZSA-N 344.367 1.227 0 40 EDAB O[C@@H](CNC1CCN(Cc2ccccc2)CC1)COC[C@@H]1CCCO1 6083772 IYPOWFDNHMFMOJ-PMACEKPBSA-N 348.487 1.797 0 40 EDAB CCCN(CC)c1ccc(C(=O)N2CCc3nnc(N)cc3C2)cn1 71860109 FPKVZKYRJPDWFU-UHFFFAOYSA-N 340.431 1.889 0 40 EDAB CCC[C@@H](NC(=O)CSc1nc(N)nc(N)n1)c1ccccc1 5148754 DKLGEIOUNMKFOZ-LLVKDONJSA-N 332.433 1.786 0 40 EDAB Cc1ccc(OCCC(=O)NCCCC(N)=O)c(Br)c1 71834998 CMNHKLSJUQHKAM-UHFFFAOYSA-N 343.221 1.908 0 40 EDAB COC(=O)c1cccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c1 13985146 WGAHYCJBYBIZSU-UHFFFAOYSA-N 329.356 1.745 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCCNC(=O)COc1ccccc1 65624154 HDVLDOCYRDUMAT-UHFFFAOYSA-N 345.447 1.079 0 40 EDAB CCCSCC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 65610105 GZXOZCOJASZJMT-UHFFFAOYSA-N 349.500 1.590 0 40 EDAB Cc1c(NC(=O)[C@H]2CSCN2C(=O)C2CCC2)cccc1C(N)=O 71882647 NKNNOTRSTKHLRT-CQSZACIVSA-N 347.440 1.734 0 40 EDAB Cc1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21 6679538 PXYTUGOFTQIPBA-UHFFFAOYSA-N 329.381 1.709 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(c2ncnc3ccccc23)CC1 24894320 VCFJEYINJOBMMR-CYBMUJFWSA-N 325.416 1.419 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)Cc1ccc3c(c1)CCO3)C2 71860200 CCPCJKRNMMABCO-UHFFFAOYSA-N 338.411 1.605 0 40 EDAB CNC(=O)c1ccc(Cn2cnc3nc(SC)sc3c2=O)cc1 66748194 QJUJVANYDMZSGB-UHFFFAOYSA-N 346.437 1.983 0 40 EDAB COCCN1CCN([C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 71886881 JPGBKVUDNZUNKZ-DLBZAZTESA-N 333.476 1.559 0 40 EDAB O=c1c2cnc(NC[C@H]3CCCO3)nc2nc(O)n1Cc1ccco1 67263916 QGZPKPQAYKJPOB-SNVBAGLBSA-N 343.343 1.124 0 40 EDAB O=C(OCC(=O)N1CCNC1=O)c1csc(-c2cccs2)n1 7075930 HGOSXZJMAKDAHY-UHFFFAOYSA-N 337.382 1.580 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1O 7002432 WCMWVIZLQIMVTI-UHFFFAOYSA-N 325.317 1.708 0 40 EDAB CCc1c(C(=O)N2CCC[C@H](C(N)=O)C2)cnn1-c1ccccn1 68010001 OZFAEGLGZDMUJZ-LBPRGKRZSA-N 327.388 1.167 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)[C@@H]1C[C@H]1c1ccccc1 68493659 DJZKQRBOYPXRNE-JKSUJKDBSA-N 336.457 1.626 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2CC(=O)NCc2ccccn2)n1 70003752 QBSRJQAAWGNQDD-QGZVFWFLSA-N 327.432 1.676 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(CC(=O)NC3CCCCC3)CCO2)n1 69349961 PTOBJYUHBBQIAX-KRWDZBQOSA-N 334.464 1.650 0 40 EDAB NC(=O)c1ccc(NC(=O)CCN2CCO[C@@H]3CCCC[C@@H]32)cc1 69322820 OBABXJKHVLEPSW-JKSUJKDBSA-N 331.416 1.758 0 40 EDAB CCOC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1ccnn1C 17070475 VOPMVAXQRWMSMF-NSHDSACASA-N 334.405 1.586 0 40 EDAB CCN(CC)CCN(Cc1ccccc1)C(=O)c1ccc(=O)n(C)n1 69486893 BHRSMEYNTOYWHK-UHFFFAOYSA-N 342.443 1.765 0 40 EDAB COc1cc(CNC(=O)NCCNC(=O)CC2CCCC2)ccn1 69416989 NVWVEBRUEUEBSD-UHFFFAOYSA-N 334.420 1.586 0 40 EDAB CCCN1CCN(C(=O)CCN(Cc2ccccc2)C(C)=O)CC1 69483949 UWMHCLKSKOKZCM-UHFFFAOYSA-N 331.460 1.979 0 40 EDAB Cc1nnc2n1CCN(Cc1ccc(C(=O)N3CCCC3)cc1)C2 69490445 OEVHWLVEFAOFPP-UHFFFAOYSA-N 325.416 1.838 0 40 EDAB C[C@@H](CC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 96407505 KDQPPRFVDUQVEV-SWLSCSKDSA-N 342.436 1.860 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(Cc2nc(-c3cccnc3)no2)CC1 69630198 LMLLWYONXGISNS-HNNXBMFYSA-N 345.447 1.656 0 40 EDAB CCOCCN1CCN(CC(=O)Nc2c(C)n[nH]c2C)C[C@H]1CC 69698034 JZGHQDFKUBKASY-OAHLLOKOSA-N 337.468 1.398 0 40 EDAB COc1ccc(OC)c([C@@H]2[C@H](C(=O)O)CC(=O)N2C[C@@H]2CCCO2)c1 69699995 GNYLRAKHTCCPCM-DXCKQFNASA-N 349.383 1.857 0 40 EDAB O=C(CN[C@@H]1CCCN(c2cccnn2)C1)N1CCc2ccccc21 69878104 FOJALVSAOBAKNH-MRXNPFEDSA-N 337.427 1.624 0 40 EDAB Cc1cc(OCC(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)no1 69846385 IWMVFCJCACENPK-NSHDSACASA-N 341.408 1.981 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1noc(C2CC2)n1 97048812 AOKATURXLOSKHV-UHFFFAOYSA-N 325.394 1.606 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CCCN(c2nccs2)C1 72240556 RLOPEMBERRVDPE-CHWSQXEVSA-N 331.445 1.687 0 40 EDAB CCc1nnc2n1C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)CC2 97199561 HBVGVOZAUKEFJG-MAUKXSAKSA-N 339.443 1.765 0 40 EDAB O=C(NCCc1nc2ccccc2[nH]1)[C@H](c1ccccc1)n1cnnn1 95472371 XZFCUHIGESFLGJ-KRWDZBQOSA-N 347.382 1.498 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCc1nnc2n1CCC2 97299731 SJPJJCZBLLMKMM-JVOXIWMLSA-N 349.460 1.098 0 40 EDAB COc1ccc(CCNC(=O)[C@@H](C)N2CCn3ccnc3C2)cc1 97201400 MLWFMVPLULHYDN-CQSZACIVSA-N 328.416 1.455 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3Oc4ccccc4[C@H]3C)CCO2)n1 95402178 ZEMJYGFZAILQAG-WPGHFRTFSA-N 342.399 1.832 0 40 EDAB Cc1cc(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)no1 95999352 FFQGRHJENNPIPP-UHFFFAOYSA-N 347.396 1.200 0 40 EDAB CCc1n[nH]c([C@@H]2CN(Cc3nc4c(F)cccc4[nH]3)CCO2)n1 89289840 IWAWZTCUWDZGFF-LBPRGKRZSA-N 330.367 1.956 0 40 EDAB COC[C@@](C)(CC(=O)OC)NCC(=O)N[C@@H](c1ccccc1)C1CC1 75105683 YSNZAHWKECDJAS-RBUKOAKNSA-N 348.443 1.812 0 40 EDAB C[C@@H](CCO)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 89895577 WGONKJLZUHDREF-LBPRGKRZSA-N 326.418 1.110 0 40 EDAB CC(C)n1cnc([C@@H]2CNC[C@@]23CCN(Cc2cccnc2)C3=O)c1 306133237 MGFNRAPIDQLVLY-LPHOPBHVSA-N 339.443 1.965 0 40 EDAB C[C@@H]1CN(CC(=O)NCc2cccc(NC(=O)C3CC3)c2)C[C@@H](C)O1 25412251 IQOHRFIWCZWZNT-ZIAGYGMSSA-N 345.443 1.761 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NCCC(C)C 408551441 HWHSHKDISZNONK-ZDUSSCGKSA-N 342.461 1.833 0 40 EDAB CN(C[C@@H](O)Cn1c(-c2ccccc2)noc1=O)[C@@H]1CCCC[C@H]1O 548628329 STMSXUWPWWJUQN-BZUAXINKSA-N 347.415 1.100 0 40 EDAB COc1ccc(C(=O)N2CC(Nc3cnccn3)C2)c(OC)c1OC 670084949 FNXKMBMJZXZXJV-UHFFFAOYSA-N 344.371 1.439 0 40 EDAB COCCNc1ccc(C[C@H]2CCCN(c3cnccn3)C2)nn1 72387272 FZVAMWHSCAXOKR-CQSZACIVSA-N 328.420 1.784 0 40 EDAB NC(=O)CN1CCC(Cc2cccc(Nc3cnccn3)n2)CC1 72361875 YXWMMTWDNWZLNB-UHFFFAOYSA-N 326.404 1.355 0 40 EDAB CC(C)(C)c1cc(=N[C@@H]2c3ccccc3C[C@@H]2O)nc(C(=O)O)[nH]1 565038366 FDRYKIJAPICVFQ-SWLSCSKDSA-N 327.384 1.964 0 40 EDAB COCCNc1ccc(CC2CCN(S(C)(=O)=O)CC2)cn1 72364904 IFALPJPSDZMYCO-UHFFFAOYSA-N 327.450 1.354 0 40 EDAB Cc1ccnn1CCC(=O)N[C@H](C)Cn1c(=O)oc2ccccc21 72324308 AZIGPMQOVWOGIF-GFCCVEGCSA-N 328.372 1.694 0 40 EDAB CCn1ccc(C(=O)N2CCC[C@H]2c2n[nH]cc2C(=O)N(C)C)n1 72351378 DMPSMWLICZIVBT-ZDUSSCGKSA-N 330.392 1.305 0 40 EDAB O=C(c1cccnc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225730470 DQBZTFPXDVANPO-UHFFFAOYSA-N 337.305 1.853 0 40 EDAB Cc1ncc2c(n1)CC[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)C2 568714284 SRFHSVFVYBDAQV-OAHLLOKOSA-N 325.368 1.699 0 40 EDAB COC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(N)cc1 225314154 OJIALHRVZHIQIO-UHFFFAOYSA-N 334.397 1.946 0 40 EDAB CS(=O)(=O)[C@@H]1CCCN(c2ncncc2Br)CC1 571265242 ZVIGWUZCKQQCTL-SECBINFHSA-N 334.239 1.643 0 40 EDAB O[C@H]1[C@H](NCc2ccc(F)cc2)C[C@H](Cn2cc(C3CC3)nn2)[C@H]1O 225500361 HENBMCYLBONCNT-UWIFEVILSA-N 346.406 1.195 0 40 EDAB biogenic,in-vitro O=C(O)CNC(=O)CN(Cc1cccc(Br)c1)C1CC1 225568200 GXVFXYLRJLGFOP-UHFFFAOYSA-N 341.205 1.614 0 40 EDAB COc1ccccc1NC(=O)Cc1noc(C(=O)NCC2CC2)n1 40287502 LJFYPGUVRCIIGD-UHFFFAOYSA-N 330.344 1.399 0 40 EDAB Cc1cc(S(=O)(=O)Nc2nccs2)ccc1OCC(N)=O 226744377 YQONPFPADLDKDL-UHFFFAOYSA-N 327.387 1.116 0 40 EDAB CCc1nnc2n1C[C@H](N[C@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 97199516 UJNNSVKFWCJSJI-ZYHUDNBSSA-N 348.838 1.821 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@@H]12)N1CCOCC1 96057234 GLXIYSDWBCGAIM-NUJGCVRESA-N 345.443 1.025 0 40 EDAB CC(C)NC(=O)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1 96202233 FZNNLUAUJXLSJX-INIZCTEOSA-N 338.477 1.785 0 40 EDAB NC(=O)c1ccc(CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)cc1 96500488 FODXHMXXWBUSHM-FQEVSTJZSA-N 334.375 1.929 0 40 EDAB Cc1cc(NC(=O)CN[C@@H](C)c2cn(-c3ccccc3)nn2)no1 97374648 TYTINYSGVKBLBI-LBPRGKRZSA-N 326.360 1.853 0 40 EDAB O=C(CC1CC1)NCc1cn2c(n1)CN(C(=O)c1ccco1)CC2 96059445 SDANQBKMONMTOZ-UHFFFAOYSA-N 328.372 1.548 0 40 EDAB COCCNC(=O)[C@@H]1CN(Cc2ccc(C)o2)Cc2ccnn2C1 96188788 GULIZPIOAKUDJT-CQSZACIVSA-N 332.404 1.179 0 40 EDAB Cn1ccc(C(=O)N2CCC3(CC2)C[C@@H](Nc2cnccn2)CO3)n1 96224791 WSIOCONJJPPSTN-CYBMUJFWSA-N 342.403 1.086 0 40 EDAB CCCCn1c(C)cn2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 96306404 BXOKVZWHEZXVPR-LLVKDONJSA-N 345.403 1.408 0 40 EDAB CC(C)(C)OCCCN1CCC(N2CCS(=O)(=O)CC2)CC1 97094672 GHEXTWYJQUAAJB-UHFFFAOYSA-N 332.510 1.386 0 40 EDAB O=C(C[C@@H]1CO[C@@H]2CN(c3ncccn3)C[C@H]12)NCc1ccccn1 96215608 CJEDWIUMGXFLLO-FVQBIDKESA-N 339.399 1.029 0 40 EDAB COCC(=O)N[C@H](C)c1c(-c2ccc(OC)cc2)noc1C(=O)O 96296821 YJXJMLBSXLCRAH-SECBINFHSA-N 334.328 1.872 0 40 EDAB biogenic,in-vitro O=C(c1cnccn1)N1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 96238722 JQRKYTVWOUFCRG-GOSISDBHSA-N 340.358 1.885 0 40 EDAB O=C(NCc1cncc2c1CCN(C[C@H]1CCOC1)C2)c1ccco1 96067426 BXVANVBPORBLHW-CQSZACIVSA-N 341.411 1.999 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCn1cnc2ccccc2c1=O 24727667 BGJTZMKGHDSRAY-OAHLLOKOSA-N 345.399 1.491 0 40 EDAB biogenic O=C(NCc1cccs1)C(=O)NC[C@@]1(O)CCc2ccccc2C1 85560440 FVQAUWWGIOBFLV-GOSISDBHSA-N 344.436 1.401 0 40 EDAB Cc1noc([C@H](C)NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1 96420512 ZYZINEJXKSDPBK-WFASDCNBSA-N 330.388 1.456 0 40 EDAB O=C(CNS(=O)(=O)c1ccccc1)Nc1c(F)cccc1F 244317021 XGCVYNAQYCUBTJ-UHFFFAOYSA-N 326.324 1.882 0 40 EDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)CN(C)Cc1cccnc1 257260049 LBDAIZCNFAPAHT-OAHLLOKOSA-N 329.404 1.145 0 40 EDAB CN(C(=O)CCN1CCCC1=O)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257279444 OGRSWTKAGFWSIH-GPMSIDNRSA-N 346.427 1.428 0 40 EDAB CCS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 253491506 MVHJXLPGCHERAC-HOCLYGCPSA-N 340.445 1.681 0 40 EDAB CCC(=O)c1ccc(N2CCC[C@@H]2C[C@H](C)O)c(S(N)(=O)=O)c1 252497949 QRVGDUGURDSQLO-WCQYABFASA-N 340.445 1.666 0 40 EDAB C[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)COCc2ccco2)C1=O 25866566 ISQOLKQNSAQLJU-KSSFIOAISA-N 344.367 1.624 0 40 EDAB CS(=O)(=O)c1cnc2nc(C(F)(F)F)nn2c1[C@@H]1CCCNC1 257231977 GIWIAZFYBFSLDK-SSDOTTSWSA-N 349.338 1.014 0 40 EDAB COCC(=O)N1CCC(Cc2nc(C)cc(-c3ccnn3C)n2)CC1 257336630 YPHDZWAKLLLZKN-UHFFFAOYSA-N 343.431 1.613 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257204040 ASUHDHVEODOZSD-INIZCTEOSA-N 329.404 1.549 0 40 EDAB CO[C@H]1CCN(C(=O)CCc2nnc(C(C)C)o2)C[C@@]12CCCO2 257344762 ZYPACJDGIQQRQE-GUYCJALGSA-N 337.420 1.922 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)c3cnn4cccnc34)CCO2)n1 257273001 NEWLFJOJJIEZEF-AWEZNQCLSA-N 338.371 1.350 0 40 EDAB CCc1ccc(S(=O)(=O)NCc2ncc(C(=O)O)cn2)s1 629313911 LPRVQERMHIYILU-UHFFFAOYSA-N 327.387 1.277 0 40 EDAB COc1coc(C(=O)Nc2ccccc2-c2nnn(C)n2)cc1=O 604419513 CIEGPKMVBBLHOX-UHFFFAOYSA-N 327.300 1.091 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](CC1OCCO1)CN1CCC(CO)CC1 1615586398 VDRPCBNASJEZAO-AWEZNQCLSA-N 344.452 1.347 0 40 EDAB Cc1c(C(=O)O)cccc1S(=O)(=O)N[C@@]1(C(=O)O)CCC[C@H]1C 1615587587 IBJVFRZBUNYANQ-PSLIRLAXSA-N 341.385 1.615 0 40 EDAB O=C(O)Cc1csc(CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)n1 1615615477 XREFCNIAFDKMSH-LBPRGKRZSA-N 336.344 1.529 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)c2nnnn2C)CC[C@@H]1c1ccccc1 1615605718 AQUZUIFLMIWLQI-OCCSQVGLSA-N 335.433 1.415 0 40 EDAB Cn1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cn1 96098434 QZCSVLYVKPQQFE-UHFFFAOYSA-N 346.412 1.520 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@H](CNC(=O)c3ccno3)CO2)C1 575404537 NVNJZLDEAAGMPI-UPJWGTAASA-N 333.388 1.068 0 40 EDAB COCCN1C[C@]2(COCCN(Cc3cccc(C)c3)C2)CC1=O 585105040 ZGVNERMWIQRYST-IBGZPJMESA-N 332.444 1.692 0 40 EDAB CCCN(Cc1ccc(-n2cccn2)cc1)[C@@H]1COC[C@@H](O)[C@H]1O 585292123 YKOHRTVGEKNCSJ-KURKYZTESA-N 331.416 1.205 0 40 EDAB CO[C@@H]1CCN(C(=O)CN2CCCC2=O)C[C@H]1Cc1ccccc1 585277922 QUTMHARNBAIUDJ-IAGOWNOFSA-N 330.428 1.715 0 40 EDAB CCOCCc1cnc2n1CCN(C(=O)c1cnc(C)cn1)[C@@H]2C 585098656 WHXLMNGXQNXOQM-CYBMUJFWSA-N 329.404 1.778 0 40 EDAB O=C(CCc1ccno1)N1CC[C@](O)(COc2ccc(F)cc2)C1 585277853 QDNFCKCEFWETAM-QGZVFWFLSA-N 334.347 1.789 0 40 EDAB Cn1cc(/C=C/C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cn1 585289031 CDUXUSBATLVGHE-ZERCDLRSSA-N 341.411 1.864 0 40 EDAB C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)C1CCC1 585098496 UFBFRQMAJJZUPH-CYBMUJFWSA-N 328.416 1.527 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)cc1 69626698 RFTJVGXZZKERMM-AWEZNQCLSA-N 348.428 1.269 0 40 EDAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCCC[C@@H]2CCO)cc1 69663939 XQWWYFSMNLMFFB-SJORKVTESA-N 336.432 1.622 0 40 EDAB C[C@H](NC[C@H](c1cccs1)N1CCOCC1)C(=O)N1CCCC1 72314839 AQCNRNBMFZAHKS-LSDHHAIUSA-N 337.489 1.722 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccncc2Cl)CC1 73071962 IQJSDXJANZVUMT-CQSZACIVSA-N 336.823 1.289 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)C[C@@H]1N1CCOCC1 84735723 FMTKGROFFORLIU-DDBAPUKQSA-N 329.444 1.754 0 40 EDAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 110012658 LDHNMIZCPRNASW-YPMHNXCESA-N 336.388 1.712 0 40 EDAB COCCCNc1ncc(S(=O)(=O)NCCOC)cc1Cl 1615045950 OQUMIESNHOZLEV-UHFFFAOYSA-N 337.829 1.108 0 40 EDAB Cn1c(CCNC(=O)[C@H]2CCCO2)nnc1SCc1ccccc1 5001777 AURZNDNOVNAMBQ-CQSZACIVSA-N 346.456 1.945 0 40 EDAB COc1ccccc1-n1nnnc1SCC(=O)Nc1nncs1 13843985 OYXBZSMWNKMPDM-UHFFFAOYSA-N 349.401 1.253 0 40 EDAB COc1cccc(CN2CCN(C(=O)N3CCOCC3)[C@@H](C)C2)c1 19575608 LTRNXWNGNOQWMP-HNNXBMFYSA-N 333.432 1.654 0 40 EDAB CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 19581870 IQHUNDHZBMQYAA-DOTOQJQBSA-N 344.459 1.373 0 40 EDAB CC1(C)C[C@H]1C(=O)NS(=O)(=O)c1ccc(-n2cccn2)c(F)c1 154315467 AYVYAGRKTLINAR-NSHDSACASA-N 337.376 1.862 0 40 EDAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)Cn1ccc2ccccc21 643586251 OTLVALRMCXQCAW-SUMDDJOVSA-N 346.427 1.248 0 40 EDAB CCOC(=O)[C@H](C)Sc1nnc(-c2cn(C)nc2OC)n1C 12422586 XITWSMNABZNYOS-QMMMGPOBSA-N 325.394 1.268 0 40 EDAB CN(C)c1nc(CNC(=O)CC2CCCC2)nc(N2CCCC2)n1 575607298 SHDZOLBOQXGIBV-UHFFFAOYSA-N 332.452 1.734 0 40 EDAB O=C1CC[C@H](C(=O)N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)CN1 1888843470 ZTTPYNPQWPSYJK-OCCSQVGLSA-N 344.415 1.108 0 40 EDAB O=C1[C@@H]2CN(c3ncncc3F)C[C@H]2C(=O)N1Cc1ccccc1 1888849726 WKBYQCPUTLASIY-CHWSQXEVSA-N 326.331 1.237 0 40 EDAB Cc1cccc(NC(=O)CN2CCO[C@H](C(=O)N3CCCCC3)C2)c1 1888928997 UKZQAPXYPFHHBS-KRWDZBQOSA-N 345.443 1.647 0 40 EDAB COc1cccc2sc(N3CCO[C@H](C(=O)NC4CC4)C3)nc12 1889111313 FLYVGWONNAIJJC-LBPRGKRZSA-N 333.413 1.789 0 40 EDAB O=C([C@@H]1CN(c2ncnc3ccccc23)CCO1)N1CCSCC1 1889130568 PDZAIVZRZXFGGV-HNNXBMFYSA-N 344.440 1.410 0 40 EDAB Cn1nc(-c2ccccc2)cc1C(=O)N[C@H]1CCc2n[nH]c(=O)cc2C1 238877297 OJKNPUDWYJIBTM-AWEZNQCLSA-N 349.394 1.458 0 40 EDAB Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3OCC(=O)NC[C@H]32)no1 2037985129 YNKJSRDZGAKBRZ-FRFSOERESA-N 341.367 1.106 0 40 EDAB O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NC1CC1 425102 IWWCQIFORIYIDV-UHFFFAOYSA-N 333.369 1.456 0 40 EDAB O=C1C[C@@H](NS(=O)(=O)c2ccc(F)cc2)CN1c1ccccc1 5221801 ZRZVNLAOBSKKFJ-CYBMUJFWSA-N 334.372 1.910 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1 13705107 SNUGFVMNHFPEFT-UHFFFAOYSA-N 339.442 1.906 0 40 EDAB COCCN1CCC(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 23127368 ZIEDLBSDOYHQGT-UHFFFAOYSA-N 347.459 1.717 0 40 EDAB CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)C)S1(=O)=O 575612813 OFQJNEYNERXSHG-UHFFFAOYSA-N 329.397 1.489 0 40 EDAB COc1ccccc1CC(=O)NC[C@H]1CCCN1c1ncccn1 618256076 CPYMVIXMMXKKHV-OAHLLOKOSA-N 326.400 1.813 0 40 EDAB COC(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccncn3)C2)cc1 575610714 NRENBOAEOBMWMG-CQSZACIVSA-N 327.340 1.557 0 40 EDAB Cc1ccc2nc(C(F)(F)F)n(N3C(=O)[C@@H]4C[C@H]4C3=O)c(=O)c2c1 100892426 DXAWCFDFTPJANM-HTQZYQBOSA-N 337.257 1.365 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)[C@@H]1Cc2cc(Cl)ccc2O1 40554791 DGJUAAYKSZDMPU-NSHDSACASA-N 340.788 1.455 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2cccc(OC(F)F)c2)CC1 51304126 FVCLMPAWTUARAM-UHFFFAOYSA-N 327.331 1.695 0 40 EDAB O=C(NCc1ccc(F)cc1)c1nn(-c2ccc(F)cc2)nc1CO 21172928 BUWMPRYBTJZPSJ-UHFFFAOYSA-N 344.321 1.968 0 40 EDAB NC(=O)COc1cccc(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1 33065420 UYUDPKUCIAOPSK-UHFFFAOYSA-N 331.303 1.041 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)N(CCO)Cc1ccccc1 510221 DFRNSHTXSUPGGZ-UHFFFAOYSA-N 338.363 1.304 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O 47005662 FOAFJDPRXCEBJQ-RDBSUJKOSA-N 332.466 1.122 0 40 EDAB O=C(NCCCn1cncn1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 41863200 OUWUGLCVZDKHOD-NSHDSACASA-N 349.341 1.116 0 40 EDAB COCCNC(=O)CCc1nc2ncc(Br)cc2[nH]1 79488819 LPFNMCLKMJRKJD-UHFFFAOYSA-N 327.182 1.416 0 40 EDAB COc1cc(NC(=O)c2nccnc2N)ccc1N1CCCC1=O 22476804 JXGPKFFPRVFTAA-UHFFFAOYSA-N 327.344 1.447 0 40 EDAB Nc1nnc(CCN2CCC[C@H]2C(=O)NCC2CCCCC2)s1 97373562 NBVCLRYIVWUAIQ-ZDUSSCGKSA-N 337.493 1.824 0 40 EDAB CNC(=S)N(CCN(C)C)Cc1cc2cc(OC)ccc2[nH]c1=O 4133573 YZNIZQZONKCEHJ-UHFFFAOYSA-N 348.472 1.405 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nnc3ccccn23)C1 22837848 FNPQGLFDJHDEBP-GFCCVEGCSA-N 348.428 1.623 0 40 EDAB C[C@H]1CN(CCCNC(=O)CN2CCc3ccccc3C2)C[C@H](C)O1 42242097 MQFCUOQOVNYIGJ-IRXDYDNUSA-N 345.487 1.660 0 40 EDAB C[C@H](C(=O)Nc1ccccc1F)N1CCN(CC(=O)NC2CC2)CC1 22929873 IYHGLOWFRDBWIJ-CYBMUJFWSA-N 348.422 1.049 0 40 EDAB O=C(O)CCC(=O)Nc1ccc2c(c1)OCCOCCOCCO2 4834338 RWBOFHZEMJVBQD-UHFFFAOYSA-N 339.344 1.294 0 40 EDAB CCN(CC)[C@@H](CNC(=O)c1ccc(O)nn1)Cc1ccccc1 23196773 MTNWGGXEDKJIKO-OAHLLOKOSA-N 328.416 1.865 0 40 EDAB C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1nnc2ccccn12 23700389 OMVDMCHVZFLLSI-LLVKDONJSA-N 344.396 1.624 0 40 EDAB C[C@@H](Sc1nnc(NC2CC2)s1)c1nc(N)nc(N(C)C)n1 25041767 JLDMALYCZRQSMT-ZCFIWIBFSA-N 338.466 1.799 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N3CCN(C(=O)C4CC4)CC3)ccc21 25168198 RULJNFJGOJLHTA-UHFFFAOYSA-N 341.411 1.290 0 40 EDAB C[C@H](O)CNC(=O)c1cccc(OCC(=O)N[C@H]2CCCC[C@@H]2C)c1 106802402 RPSQWSRBCIYRLC-ZQIUZPCESA-N 348.443 1.871 0 40 EDAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@H]2COCCO2)cc1 55848292 KMBAEZOVMZSJTM-RISCZKNCSA-N 338.429 1.657 0 40 EDAB C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 107058876 HEOOEPHSCOLGMK-IUODEOHRSA-N 337.445 1.042 0 40 EDAB CC(C)Oc1ccccc1CN1CCN(C(=O)C(=O)NC2CC2)CC1 55903634 ODANNLRGKJUZOB-UHFFFAOYSA-N 345.443 1.397 0 40 EDAB CC(C)c1ccc(-n2cc(O)c(C(=O)N3CCS(=O)CC3)n2)cc1 72304091 GMKBFBXKXPHQGD-UHFFFAOYSA-N 347.440 1.906 0 40 EDAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1nnc2ccccn12 26504863 RJMGKWAMOOTSIF-AWEZNQCLSA-N 349.394 1.937 0 40 EDAB O=C(NCCn1ccnc1)c1nc(N2CCCCC2)ncc1Cl 44326542 CBZBJHPTCBGVOR-UHFFFAOYSA-N 334.811 1.747 0 40 EDAB CN(C(=O)Cc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 44896238 WFMHSJLJSZYLJA-OAHLLOKOSA-N 333.413 1.060 0 40 EDAB CNC(=O)C1(NC(=O)c2ccnc(-n3ccnc3)c2)CCCCC1 58283775 WLAXKUYZUSQLQO-UHFFFAOYSA-N 327.388 1.446 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)NCc1ccc(-n2cccn2)cc1 44969824 SPTJAKVBIILGJA-OAHLLOKOSA-N 343.431 1.392 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@H]1CC(=O)N(C)C1)O[C@H](C)C2 44911827 INHMRFJJUGLEQH-RISCZKNCSA-N 332.400 1.503 0 40 EDAB O=C(Nc1nnc(C2CC2)s1)N[C@@H]1CCCN(c2ncccn2)C1 44971838 SYHAMNOSQZOVPP-LLVKDONJSA-N 345.432 1.996 0 40 EDAB Cc1cc(CN2CCN(c3cncc(-n4cccn4)n3)CC2)on1 44945212 LGNTUVDRGINQAK-UHFFFAOYSA-N 325.376 1.281 0 40 EDAB Cc1ccc(CN2CCOC[C@@]3(C[C@@H](Cn4cnnc4)CO3)C2)s1 107243787 BMIJFISDHZKRHU-DOTOQJQBSA-N 348.472 1.956 0 40 EDAB CCOC(=O)/C=C/c1ccc(NC(=O)CC[C@H]2NC(=O)NC2=O)cc1 12728732 HICUIXULKDPDSN-ZQNFCJTASA-N 345.355 1.190 0 40 EDAB Cc1c(Cl)cccc1NC(=O)C[C@H]1SC[C@H](C(=O)O)NC1=O 20635194 IOPQGJXUECBLAM-GHMZBOCLSA-N 342.804 1.662 0 40 EDAB C[C@H](Sc1nncn1C)C(=O)N(C)Cc1nc2ccccc2[nH]1 58370348 PTYBTQUZKNKWDS-JTQLQIEISA-N 330.417 1.831 0 40 EDAB CN(CCCc1nc2ccccc2[nH]1)C(=O)C[C@@H]1CCS(=O)(=O)C1 58331018 BSFIPIKDTWDAIR-ZDUSSCGKSA-N 349.456 1.779 0 40 EDAB CCc1noc(Cn2c(-c3ccc(OC)c(OC)c3)noc2=O)n1 58341825 JJMSEKWKWNGNQH-UHFFFAOYSA-N 332.316 1.514 0 40 EDAB CCOC(=O)CS[C@H]1CC(=O)N(c2cccc(C(=O)O)c2)C1=O 100855653 DNXGCHJOIFDRAC-NSHDSACASA-N 337.353 1.313 0 40 EDAB CN(CCCc1cc(-c2ccccc2)no1)CCC(=O)NC(N)=O 58343035 UUSRWGCPLHGLHH-UHFFFAOYSA-N 330.388 1.791 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)no1 58329351 HEAIRBJTMCTRPX-INIZCTEOSA-N 346.318 1.528 0 40 EDAB CCCCn1nnnc1CN1CCCc2c1cccc2S(C)(=O)=O 58342936 IVEGPHSGKQPSPM-UHFFFAOYSA-N 349.460 1.830 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420065 HPFWDUDMFYFZEJ-MOROJQBDSA-N 330.384 1.192 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(O)c(Cl)c2)CC1 45319250 GNPPAZOPFNUQGI-UHFFFAOYSA-N 332.809 1.153 0 40 EDAB O=C(CCOC1CCOCC1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 102686714 COSXFBHPPHZKTI-NUJGCVRESA-N 336.476 1.905 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 29193451 VNMHWWBQCUGQMU-JTQLQIEISA-N 334.800 1.633 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)Nc2ccccn2)c1C 45829467 QOHWNDNHIJCAPX-UHFFFAOYSA-N 328.372 1.988 0 40 EDAB O=C(CN1C(=O)CCC1=O)Nc1ncc(Cc2ccc(F)cc2)s1 11637583 CXCUQQHZNWZFPX-UHFFFAOYSA-N 347.371 1.961 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 45951226 RFAQZONVPVEIED-NSHDSACASA-N 334.372 1.116 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)CCc3ccco3)CC2)cn1 60375885 SPQXLEHAXUDZLZ-UHFFFAOYSA-N 344.415 1.614 0 40 EDAB O=S(=O)(c1cccnc1)N1CCN(Cc2ccccc2F)CC1 29818154 VKPRAJGKEZIVEP-UHFFFAOYSA-N 335.404 1.727 0 40 EDAB Cc1ccccc1C(=O)N[C@H](C(=O)OCC(=O)NC1CC1)C(C)C 2635927 OGKQFRYBLJRPIU-INIZCTEOSA-N 332.400 1.571 0 40 EDAB COC(=O)Cn1cc(NC(=O)c2cncc(Br)c2)cn1 38030518 BWXQASVOYYSENZ-UHFFFAOYSA-N 339.149 1.466 0 40 EDAB C[C@H](N[C@H](C)c1cccc(Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 12915747 CCKCWQOZCKLXDB-UHIISALHSA-N 344.864 1.682 0 40 EDAB Cc1ccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1F 13000381 WNMXNSXUYALSOS-UHFFFAOYSA-N 328.351 1.952 0 40 EDAB CCOC(=O)CCNC(=O)CCc1ccc(OC)c(OC)c1OC 65576675 UFEOOLJHZDYFOP-UHFFFAOYSA-N 339.388 1.714 0 40 EDAB Cn1cnn(CN2CCN(C(=O)CCc3ccccc3)CC2)c1=S 65604953 KAFZKJKEAJSESD-UHFFFAOYSA-N 345.472 1.686 0 40 EDAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(F)cccc1F 5517801 PEXQOFHMPWSCOB-ZDUSSCGKSA-N 326.299 1.782 0 40 EDAB COc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)on1 96011675 QSUGFFZQYFVPQM-UHFFFAOYSA-N 331.372 1.520 0 40 EDAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)NC(=O)NC1CCCCC1 7046837 MGOLIYNQCGWTEK-UHFFFAOYSA-N 349.431 1.854 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)[nH]n1 68437741 OYHYEKAFZPTQMT-UHFFFAOYSA-N 346.818 1.899 0 40 EDAB CCCc1cc(NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)n(C)n1 91093856 SSAFEJYZTFVQEF-CYBMUJFWSA-N 345.407 1.033 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)NCCc2cccc(F)c2)cc1 16734592 ZKFMCIIMQHNWKM-UHFFFAOYSA-N 336.388 1.706 0 40 EDAB CC(C)c1nccn1[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 70038218 GOLHLMMCCQLKRX-KBPBESRZSA-N 339.461 1.605 0 40 EDAB COc1cccc(Cc2nnc(NC(=O)[C@@H](C)NC(C)=O)s2)c1 70018505 UYXDGPPUXOCLSH-SECBINFHSA-N 334.401 1.601 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)NCc2ccc(Cl)cc2)CC1 9514409 JDBUTULGRAPNBY-UHFFFAOYSA-N 345.852 1.563 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)COc3cccc(C(N)=O)c3)C2)c1 69391952 VEOWBBYXFUWBSW-HNNXBMFYSA-N 342.399 1.533 0 40 EDAB C[C@@H]1C[C@H](CC(=O)NCC2(O)CCS(=O)(=O)CC2)CC(C)(C)C1 72297776 BBCYBKXOJJRYPX-ZIAGYGMSSA-N 345.505 1.895 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCN(CCCS(C)(=O)=O)CC1 69419309 JQDNKZOMOWPPER-GFCCVEGCSA-N 342.465 1.060 0 40 EDAB C[C@@H](CN1CCN(C)CC1)NC(=O)CCc1nc2ccccc2s1 71883495 JFUTYPRCLFHDKE-AWEZNQCLSA-N 346.500 1.981 0 40 EDAB CC(=O)N1CCC(CN2CCN(Cc3nccn3C)[C@@H](C)C2)CC1 71863868 ATFCHWBKGDFUHD-HNNXBMFYSA-N 333.480 1.185 0 40 EDAB Cc1nccn1-c1ccc(CNC(=O)N2CCOCC[C@H]2C)cn1 91619641 WDSDGKNOVOGART-CYBMUJFWSA-N 329.404 1.896 0 40 EDAB NC(=O)CN1CCC(NC(=O)CCCOc2ccccc2F)CC1 71819837 QKODNXWZXUYESI-UHFFFAOYSA-N 337.395 1.051 0 40 EDAB CCN(CC)C(=O)[C@H]1CSCN1C(=O)Cc1cn2ccccc2n1 69528353 UFMAALUDNANHAK-CQSZACIVSA-N 346.456 1.647 0 40 EDAB CC(=O)N[C@H](CC(=O)N(CC(N)=O)C1CCCC1)c1ccccc1 71821096 LNODEPRSQGXMSK-MRXNPFEDSA-N 331.416 1.510 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CCOC[C@H]1CCCO1 71847436 JELZSSMMAWABLL-ZBFHGGJFSA-N 333.384 1.703 0 40 EDAB CC(=O)NCCNC(=O)CCC(=O)NCCc1ccc(Cl)cc1 69699537 HPFGVVIBZFZOSU-UHFFFAOYSA-N 339.823 1.031 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 69621882 YPWVWRKUJRTMON-INIZCTEOSA-N 344.459 1.448 0 40 EDAB Cc1cccc(OCC(=O)NCCS(=O)(=O)Nc2ccccn2)c1 69616146 SIKQVACHFPSBMF-UHFFFAOYSA-N 349.412 1.327 0 40 EDAB CCOCCN1CCN([C@H](C(N)=O)c2ccc(F)cc2)C[C@@H]1CC 69698052 AWALANLJSLMRQC-IRXDYDNUSA-N 337.439 1.785 0 40 EDAB CCOCCO[C@H](C)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 69705873 IREYVULAXVHNOK-KGLIPLIRSA-N 344.452 1.944 0 40 EDAB COc1cccc(N2CC[C@@H](CNS(=O)(=O)N(C)C(C)C)C2)c1 69705582 OSTGZNLNXIRNCB-AWEZNQCLSA-N 341.477 1.696 0 40 EDAB Cn1ncc2c(NC[C@H](Cc3ccc(F)cc3)C(N)=O)ncnc21 69705177 OHJAPYAQMBTBJD-NSHDSACASA-N 328.351 1.259 0 40 EDAB CN(Cc1c[nH]nc1-c1ccccc1)C1CCN(S(C)(=O)=O)CC1 91963691 SBPDMVVIBYOMBE-UHFFFAOYSA-N 348.472 1.933 0 40 EDAB CC1=C(C(N)=O)[C@@H](c2ccccc2Br)N2NC=NC2=N1 8609957 PGDQWKGNWYOUDE-LLVKDONJSA-N 334.177 1.468 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)N1CCc2ccccc2C1 69870888 TXVIGJHBFLGSEW-INIZCTEOSA-N 339.443 1.575 0 40 EDAB O=C(Nc1cccc(-c2noc(=O)[nH]2)c1)c1ccc(-n2ccnc2)nc1 69808789 YROQUHHYXKNDOD-UHFFFAOYSA-N 348.322 1.863 0 40 EDAB CC(C)CCO[C@H](C)C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 69817192 OXBSYATVYIVCNJ-CQSZACIVSA-N 349.431 1.111 0 40 EDAB Cn1cc(-c2nc(CN3CCO[C@@H](Cn4cncn4)C3)cs2)cn1 69815177 BANDBSNVXITLRU-CQSZACIVSA-N 345.432 1.036 0 40 EDAB CC(C)[C@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1cccs1 69952196 QPRZMCWAHLXYKJ-PBHICJAKSA-N 339.505 1.824 0 40 EDAB Cn1c(=O)c2cc(-c3ncc[nH]3)c(-c3ccccc3)nc2n(C)c1=O 8778800 KVOMCBXQGPBGAL-UHFFFAOYSA-N 333.351 1.689 0 40 EDAB COc1cc(C(=O)NC[C@@H](C)CN2CCOCC2)cc(OC)c1C 71915561 IUQWTIPJCIPTRY-CYBMUJFWSA-N 336.432 1.710 0 40 EDAB C[C@@H](Sc1nnc(C2CC2)o1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 9690844 KRPKANAKVJSNHY-SCZZXKLOSA-N 345.446 1.073 0 40 EDAB CCCn1c(C)nnc1CN(C)Cc1nc2ccsc2c(=O)[nH]1 97161867 DXHNNHXDGYCSDO-UHFFFAOYSA-N 332.433 1.927 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@H]1CCCN1Cc1ccccn1 72867715 AKZUNKGZVPDVFR-MRXNPFEDSA-N 349.398 1.660 0 40 EDAB CN(Cc1noc(C2CC2)n1)[C@H]1CCN(Cc2nnc(C3CC3)o2)C1 95402321 GFLRVKGWJYRYED-ZDUSSCGKSA-N 344.419 1.914 0 40 EDAB O=C(CNS(=O)(=O)Cc1c(F)cccc1F)NCc1ccco1 95980756 YXRSOBWMZAXOSK-UHFFFAOYSA-N 344.339 1.294 0 40 EDAB O=C(CNC(=O)NC1CCN(c2cccc(F)c2)CC1)NCC1CC1 95995215 ZWXJTOIWTYDNDY-UHFFFAOYSA-N 348.422 1.620 0 40 EDAB CCn1nc(C)cc1C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1 89300360 ZORHKSUUJRFIAH-INIZCTEOSA-N 334.807 1.995 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@H](CCCN2C)C1 89496991 PVGNCBBITGHJHV-MCIONIFRSA-N 325.453 1.842 0 40 EDAB Cc1cc(C(=O)NCc2ccc(F)cc2)nc2nc(O)[nH]c(=O)c12 75144364 IOOABVIGHGWFLI-UHFFFAOYSA-N 328.303 1.401 0 40 EDAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc(-c2nc[nH]n2)cc1 75136666 WPYFZTFPUIFZIJ-UHFFFAOYSA-N 335.367 1.769 0 40 EDAB Cc1ccc(OCCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 89636941 FPIZYURIFZDTJX-UHFFFAOYSA-N 340.445 1.304 0 40 EDAB Cc1nc(CNC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)cs1 89712454 DYVOVFKWKSNDMA-HNNXBMFYSA-N 345.424 1.495 0 40 EDAB O=C(NC[C@@H]1COCCO1)[C@@H]1CCCN1C(=O)NC1CCCCC1 89818430 KRRQXWKZYRRGGI-CABCVRRESA-N 339.436 1.025 0 40 EDAB C[C@@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 89894698 RPEIYPOZWILHMM-QWHCGFSZSA-N 344.367 1.999 0 40 EDAB C[C@H](NC(=O)CCN1CCSC1=O)c1nnc2n1CCCCC2 89913883 FZZXPBCZQPDNQP-NSHDSACASA-N 337.449 1.741 0 40 EDAB NC(=O)c1cc(NC(=O)[C@@H]2CCCN2c2nccs2)ccc1F 75573894 HVWBWFJVUUNZCN-LBPRGKRZSA-N 334.376 1.989 0 40 EDAB CC1(C)CN(C(=O)c2cn(CC(N)=O)nn2)c2cccc(Cl)c21 76065522 SJXQGWCZKSOXNI-UHFFFAOYSA-N 333.779 1.355 0 40 EDAB c1ncc(-c2cnc3n2C[C@@]2(COCCN(CC4CC4)C2)C3)cn1 306130196 IZABUQIVEZSUEO-GOSISDBHSA-N 325.416 1.625 0 40 EDAB Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H](C)C(=O)O)CC2)c1C 517739349 MWWXSZBNROSGNK-CQSZACIVSA-N 347.415 1.107 0 40 EDAB CC[C@@H](CCNS(=O)(=O)c1cnn(C)c1C)n1cc(Cl)cn1 36614800 VCWNSPXYUYLPQS-LBPRGKRZSA-N 345.856 1.898 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cccc(CC(=O)NC2CC2)c1 72400892 ZZDYSHWUQWMHBG-LSDHHAIUSA-N 330.384 1.803 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1cnc2ccccc2c1=O 6880569 ZANZTSMJBDNPHN-CQSZACIVSA-N 331.372 1.100 0 40 EDAB biogenic Cc1nc([C@@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2F)no1 79351093 UNEIYKBKJVTQPJ-AWEZNQCLSA-N 343.318 1.130 0 40 EDAB O=C(O)[C@@H](Cc1ccccc1)NCc1cnc(N2CCOCC2)nc1 218758725 GLPIOUPJZBYKNS-MRXNPFEDSA-N 342.399 1.099 0 40 EDAB COc1ncnc2c1ncn2CC(=O)Nc1ccc(NC(C)=O)cc1 1565524993 UPNINVYKYQAGSM-UHFFFAOYSA-N 340.343 1.432 0 40 EDAB CCOC[C@@]1(N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC 218149458 QMVAOSZZTJCWOU-QLFBSQMISA-N 327.402 1.050 0 40 EDAB CCc1nc(CCNc2ncccc2S(N)(=O)=O)sc1C 79037741 IHIODOOOWGVBQH-UHFFFAOYSA-N 326.447 1.711 0 40 EDAB Cc1nc(Nc2ccccn2)cc([C@H]2CCN(S(C)(=O)=O)C2)n1 72382698 WTLFQYVKBGZZIV-LBPRGKRZSA-N 333.417 1.673 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCC[C@@H](NC(=O)OCc2ccccc2)C1 79428173 CUCHXCUJNJXXAM-CVEARBPZSA-N 333.432 1.887 0 40 EDAB O=C(NC1CCN(C(=O)CN2CCCC2=O)CC1)c1ccccc1 40479650 MCDPWBXXYNKCGR-UHFFFAOYSA-N 329.400 1.030 0 40 EDAB CC(=O)c1ccc(C(=O)NCc2nc(-c3cc[nH]c(=O)c3)no2)s1 225802884 VXZKISXREYBTHX-UHFFFAOYSA-N 344.352 1.619 0 40 EDAB COCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)C(C)C 222984424 UEUODCRTFNPWCV-AWEZNQCLSA-N 336.432 1.831 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N[C@H](Cn2nccn2)C(C)C)cc1 238940317 VXNVVQWXKDKDDG-OAHLLOKOSA-N 336.417 1.484 0 40 EDAB CN1C[C@H](NC(=O)Nc2cc(F)ccc2-n2cccn2)CCC1=O 96415937 INPUHLJTQVVDTI-GFCCVEGCSA-N 331.351 1.754 0 40 EDAB COCCc1cc(NC(=O)Nc2cc(C3CCOCC3)[nH]n2)n(C)n1 578479237 SDQYZKWUCBAPTO-UHFFFAOYSA-N 348.407 1.870 0 40 EDAB O=C(c1ccco1)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 96048714 YAIDAXQHHHTLIG-KRWDZBQOSA-N 326.356 1.729 0 40 EDAB C[C@H]1CS(=O)(=O)CCN1C(=O)N[C@H]1CCc2ccc(F)cc21 96417738 LVVWXNUMKGPISI-HZMBPMFUSA-N 326.393 1.642 0 40 EDAB C[C@H]1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1ccncc1 96109719 KPUWXSICGHNAMH-AWEZNQCLSA-N 343.431 1.460 0 40 EDAB C[C@@H]1CCCCN1C(=O)Cc1ccc(OCc2nnnn2C)cc1 96191977 TUQJDPWQBLCDKW-CYBMUJFWSA-N 329.404 1.733 0 40 EDAB NC(=O)[C@H]1CCCN1Cc1csc(CC(=O)Nc2ccccc2)n1 96443321 XFVZAISATFXVEA-CQSZACIVSA-N 344.440 1.774 0 40 EDAB CCn1nc(C)cc1NC(=O)COCc1nc(-c2cccnc2)no1 96182066 DDRWNJKZVLWONP-UHFFFAOYSA-N 342.359 1.812 0 40 EDAB CC(=O)N1[C@H]2CCN(C(=O)c3ccno3)C[C@H]2C[C@@H]1Cn1cccn1 96064449 HWVQUGGIZDBONN-KFWWJZLASA-N 343.387 1.023 0 40 EDAB Cc1cccc(S(=O)(=O)N2Cc3c(CN(C)C)nn(C)c3C2)c1 96084459 BNNWXRPOSFAHDI-UHFFFAOYSA-N 334.445 1.495 0 40 EDAB Cc1ccoc1C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1 96259339 FRIGYPASZFYBJX-UHFFFAOYSA-N 342.399 1.953 0 40 EDAB CO[C@@H]1CN[C@H](C(=O)N2CCC(CN3CCc4ccccc43)CC2)C1 583619037 XKVFHBAEVCSTNB-ROUUACIJSA-N 343.471 1.665 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)CCn2ccnn2)cc1 583616129 MIHUDYYNGXNGCJ-AEFFLSMTSA-N 344.415 1.576 0 40 EDAB Cc1cc(CN2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@@H]3C2)no1 96043071 VHXXGJZLXKRWSE-RRQGHBQHSA-N 342.399 1.996 0 40 EDAB O=C([C@@H]1COC[C@H]2CN(Cc3nccs3)C[C@@H]12)N1CCCCO1 96038636 AMGWHLRULAGPMU-MGPQQGTHSA-N 337.445 1.392 0 40 EDAB O=C(c1ccccn1)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 96202337 PCNFMKNRNYVUJL-GOSISDBHSA-N 339.399 1.241 0 40 EDAB Cc1nnnn1-c1ccccc1C(=O)NCCc1nc2ccccc2[nH]1 96118109 SBPNVMASENDSDH-UHFFFAOYSA-N 347.382 1.820 0 40 EDAB COc1ccsc1S(=O)(=O)NC[C@H]1CC(C(F)(F)F)=NO1 585115000 IMCWAOWLGFSLOH-ZCFIWIBFSA-N 344.336 1.742 0 40 EDAB COCCOCC(=O)N1CC(O)(c2ccc(Br)cc2)C1 585128063 QSUWNTSAZJCWHF-UHFFFAOYSA-N 344.205 1.142 0 40 EDAB Cc1cccc(S(=O)(=O)N=c2[nH]o[nH]c2=NC(=O)C(C)(C)C)c1 585129270 DEZRNOSMYFQSCD-UHFFFAOYSA-N 338.389 1.007 0 40 EDAB O=C(Nc1nn(CC(F)(F)F)cc1Br)[C@@H]1CCCO1 585125484 VABLMQIKTAQGSO-ZETCQYMHSA-N 342.115 2.325 0 40 EDAB O=C(NC1CCCC1)[C@H]1CN(Cc2nccs2)Cc2ccnn21 247742987 OVVUBRDMEYEJHD-CQSZACIVSA-N 331.445 1.955 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257282841 OVNSBUWJSHCOHC-AWEZNQCLSA-N 343.339 1.433 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cccc(-n3cnnc3)c2)n1 257212328 CCWFBPGESGOGMQ-HNNXBMFYSA-N 338.371 1.513 0 40 EDAB CCS(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(C)=O 257315426 VBHSULRQHNTIGD-BRWVUGGUSA-N 336.457 1.673 0 40 EDAB Cn1nccc1-c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1 257232616 GLQBUYPAUIGCQJ-UHFFFAOYSA-N 335.433 1.091 0 40 EDAB Nc1cccc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257230653 GDHILIOVKAKTOF-OAHLLOKOSA-N 327.340 1.606 0 40 EDAB CNc1cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc(C)n1 257298433 RLOQBHJZBMWXOX-GFCCVEGCSA-N 336.421 1.086 0 40 EDAB C[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1 1609811792 UEJZECIXCPYNSN-ZDUSSCGKSA-N 349.311 1.291 0 40 EDAB O=S(=O)(c1ccc(OC2CC2)cc1)N1CCC2(CCNC2)CC1 1614608397 XHAFZMCBOQLDMX-UHFFFAOYSA-N 336.457 1.992 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@@H](CO)C[C@@H]3CO)cn2)n1 1615586515 AWWXIAKMRYQVNF-DZGCQCFKSA-N 345.403 1.091 0 40 EDAB COc1cccc(O)c1S(=O)(=O)N1CCN(CC2CC2)CC1 1615552689 WZKKZKXKSYRXPC-UHFFFAOYSA-N 326.418 1.117 0 40 EDAB CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCNC[C@H]2F)c1 1616037664 AVVFIZZGCLNRHA-OLZOCXBDSA-N 348.827 1.563 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC[C@]2(OC)CCSC2)cc1 96097707 KFBOPJMFCDOEMU-CQSZACIVSA-N 345.442 1.274 0 40 EDAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)[C@@H]2CCOC2)C3)c1 575403921 IYRDLEBQAALIKJ-IAGOWNOFSA-N 346.427 1.703 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(C(=O)C3(F)CCC3)C[C@@H]2O1 585108489 OYNLKRMUFIALCE-NFAWXSAZSA-N 349.406 1.263 0 40 EDAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)[C@H]1CCOC1 585112254 NOZPRGHVZUWZQU-IRXDYDNUSA-N 341.411 1.698 0 40 EDAB CCn1nc(C)cc1C(=O)N1Cc2cccn2C[C@@H](CC(=O)NC)C1 585099208 VGMUAZJDWFTZEE-CQSZACIVSA-N 343.431 1.421 0 40 EDAB Cc1ccccc1CN1Cc2ccnn2[C@@H](CNS(C)(=O)=O)C1 585112629 SGXCHBJSRSECRK-INIZCTEOSA-N 334.445 1.298 0 40 EDAB CN1C[C@@H](COc2cccnc2)CC12CN(C(=O)c1ccncc1)C2 585093894 NNNXTWDKNQIIOT-HNNXBMFYSA-N 338.411 1.702 0 40 EDAB COC[C@]1(CC(N)=O)CN(C(=O)c2cccc(Cl)c2F)CCO1 585276612 BRMHSGPPLZRWHG-HNNXBMFYSA-N 344.770 1.212 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCc3ccccn3)c(C)c12 71805615 ICTYMQLBKDFQKT-UHFFFAOYSA-N 339.399 1.522 0 40 EDAB COc1cc(NC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)ccc1NC(C)=O 44772918 YSBKGCTYLGFNNA-GXFFZTMASA-N 333.388 1.754 0 40 EDAB COC(=O)c1oc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1C 1591308469 DRHLPQHBYMCNGH-UHFFFAOYSA-N 327.300 1.807 0 40 EDAB O=C(c1csc(-c2cnccn2)n1)N1CC[C@@H](N2CCCC2)C1 77326826 GVKITEXDMMGOHN-GFCCVEGCSA-N 329.429 1.910 0 40 EDAB Cc1ccc(CNC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1F 98018791 MHOPSWQSNXTADO-UHFFFAOYSA-N 345.378 1.426 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)N1CCO[C@@H]2CCCC[C@@H]21 106784873 NWGRFPNJIDGPHG-IXDOHACOSA-N 347.463 1.303 0 40 EDAB Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)N3CCOCC3)n2)c(C)o1 12183694 WBCDHKPQWDWOEZ-LLVKDONJSA-N 346.387 1.122 0 40 EDAB CC1CCN(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)CC1 12146720 PWZSGSKZLLUHCF-UHFFFAOYSA-N 332.429 1.813 0 40 EDAB CC[C@H](CN1CCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC 12362741 KGHVUHNHOMEUIX-CYBMUJFWSA-N 336.436 1.335 0 40 EDAB CNC(=O)[C@H]1CN(Cc2cccc3ncccc23)Cc2cn(C)nc21 19701222 RUZSOGRSLTXZSU-INIZCTEOSA-N 335.411 1.814 0 40 EDAB CCCCNS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 19933428 UHSPKMYRTQFPCU-UHFFFAOYSA-N 326.418 1.900 0 40 EDAB O=C(NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)c1cccnc1 565011367 UERBHLFEFJNGSQ-YJBOKZPZSA-N 336.395 1.959 0 40 EDAB C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)C[C@@H](C)O1 3333931 WRLLFZQYISGQLD-CHWSQXEVSA-N 337.420 1.267 0 40 EDAB COC(=O)[C@H](CO)NC(=O)CCCSc1ccc(Cl)cc1 8277301 TYZCSACDUXFRKV-LBPRGKRZSA-N 331.821 1.862 0 40 EDAB CCNC(=O)c1cn(C[C@@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1888856532 ONMPBQUXJYQORC-CQSZACIVSA-N 327.388 1.077 0 40 EDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5ccccc5)C[C@H]4C3)nn12 1888888415 VVUVSFNKNBPLCO-HZPDHXFCSA-N 348.410 1.641 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(Cc2cc(C3CC3)on2)C1)C1CC1 1889118456 XVTXIGSOBGRILC-GFCCVEGCSA-N 325.434 1.598 0 40 EDAB O=C([C@@H]1CN(Cc2cncs2)CCO1)N1CCC(F)(F)CC1 2086923672 PROVUBDNVOPYJG-LBPRGKRZSA-N 331.388 1.602 0 40 EDAB O=C(CCc1cncnc1)N1CC2(CCN2Cc2ccsc2)C1 1565548188 ZCAUJWSSHIWMCC-UHFFFAOYSA-N 328.441 1.958 0 40 EDAB CCOC(=O)CCNC(=O)NC[C@H]1CC(=O)N(c2ccc(C)cc2)C1 9040473 NRYOALYDRCXHMR-CQSZACIVSA-N 347.415 1.600 0 40 EDAB COc1ccc(CCNC(=O)NCC[C@@H](O)c2cccn2C)cc1 217950990 XGXKNTRBXPFVAT-QGZVFWFLSA-N 331.416 1.999 0 40 EDAB NCCn1nc([C@H]2CCN(C(=O)Cc3ccccc3)C2)c2cccnc21 19370082 DBKGDLIREYQYFX-INIZCTEOSA-N 349.438 1.949 0 40 EDAB C[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C 40267937 WPSCUKVZPCPRGW-SSDOTTSWSA-N 344.293 1.028 0 40 EDAB CC[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)CCO1 30854431 ZOFAKRFFIBDMIW-VIFPVBQESA-N 345.193 1.409 0 40 EDAB O=C(NCCN1CCCCC1)c1ccc(Cn2ccccc2=O)o1 40534238 UWYMEUQCSAPCNA-UHFFFAOYSA-N 329.400 1.705 0 40 EDAB Cc1cccc([C@H](CNC(=O)c2nccnc2N)N2CCOCC2)c1 31996008 GWAZIQGFVHZCJO-HNNXBMFYSA-N 341.415 1.171 0 40 EDAB COC(=O)N[C@H](C(=O)NC1[C@H]2CCC[C@H]1CN(C1CC1)C2)C(C)C 101024583 ABXBGNFHFHWHQW-YDHLFZDLSA-N 337.464 1.746 0 40 EDAB COc1ccc2c(ccn2CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 20714660 OQCSLTNNUVVGCH-INIZCTEOSA-N 336.413 1.343 0 40 EDAB O=c1c(NCc2ccncc2)c(NCc2ccc3c(c2)OCO3)c1=O 101693628 KKDCKUBKCAWDGX-UHFFFAOYSA-N 337.335 1.631 0 40 EDAB COc1cc(Cn2cnc3c(cnn3C)c2=O)ccc1OC(F)F 32739621 CFEXKWHLPVRGHA-UHFFFAOYSA-N 336.298 1.788 0 40 EDAB O[C@@H](COc1ccccc1)CSc1nnnn1C[C@H]1CCCO1 32814786 WTQJFDNVTAPUTH-GXTWGEPZSA-N 336.417 1.384 0 40 EDAB CCOC(=O)N(C)CC(=O)NCc1ccc(C(=O)N(C)C(C)C)cc1 52610052 SRLVJKJICSEUFZ-UHFFFAOYSA-N 349.431 1.872 0 40 EDAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc[nH]c1=O 32901133 REIRCEJBMWUGCP-UHFFFAOYSA-N 325.368 1.541 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N[C@H]2COc3ccccc3C2)C1=O 53045310 PNVCRCXLXPHLQL-CYBMUJFWSA-N 345.399 1.217 0 40 EDAB Cc1csc(N(C)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 103297677 RTKOIPOWBZQXPR-UKJIMTQDSA-N 331.397 1.221 0 40 EDAB CCCNC(=O)c1nn(CC)cc1NS(=O)(=O)c1cccs1 2792688 VSDYVPNXYDPROT-UHFFFAOYSA-N 342.446 1.905 0 40 EDAB Cc1c(NC(=O)c2c(I)cnn2C)cnn1C 2776991 DQVIWBRJCIAXET-UHFFFAOYSA-N 345.144 1.319 0 40 EDAB CC(=O)N1CCCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 53356605 XZZYSTTXJZKALC-UHFFFAOYSA-N 340.427 1.886 0 40 EDAB CS(=O)(=O)CCNc1ncccc1C(=O)N1CCc2ccccc21 78654697 SLXZSRCBYRFOIP-UHFFFAOYSA-N 345.424 1.741 0 40 EDAB O=C(NCc1nc(-c2cccc(CN3CCOCC3)c2)no1)C1CC1 78774622 AROGLDZNPIYYBX-UHFFFAOYSA-N 342.399 1.595 0 40 EDAB Cc1cc(NC(=O)C[C@H]2CCS(=O)(=O)C2)ncc1Br 79015662 YDEFJIXPKTZUFJ-SECBINFHSA-N 347.234 1.916 0 40 EDAB O=C1CC(=O)N(CCc2ccccn2)C(=O)N1CCc1ccccn1 1768355 RIURIGHSSMMMOY-UHFFFAOYSA-N 338.367 1.443 0 40 EDAB Cn1nc(C(=O)NCC2(N3CCCCC3)CCCCC2)ccc1=O 22414135 RRWBXFWXSXDECW-UHFFFAOYSA-N 332.448 1.699 0 40 EDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCC1 22832655 SRYHJEHAQZLOSK-INIZCTEOSA-N 336.457 1.822 0 40 EDAB CC(C)Cn1c(S[C@@H](C)C(=O)NC(N)=O)nc2ccccc2c1=O 6049635 AWNWIKWJZBKOKO-JTQLQIEISA-N 348.428 1.728 0 40 EDAB CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 6274163 ZPIBDHZJPNLLML-SECBINFHSA-N 349.250 1.642 0 40 EDAB CC1CCC(NCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 6566423 RSBHPKDUFKNHOV-UHFFFAOYSA-N 325.434 1.441 0 40 EDAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 7966740 QJEHXPOEJJXCCE-UHFFFAOYSA-N 348.380 1.918 0 40 EDAB CC(=O)NCCCC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 42749643 IXOJLFCZZJFLMP-CQSZACIVSA-N 333.436 1.584 0 40 EDAB C[C@H]1CN([C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)CCO1 24061047 HGVPPHPHHRNLRV-STQMWFEESA-N 331.416 1.860 0 40 EDAB CC(C)CCC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 24775521 KOXBBSMHICRCRA-UHFFFAOYSA-N 328.420 1.747 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)C[C@H]2C=CCC2)CC1 55551123 IPCQVIDYAWDXKM-AWEZNQCLSA-N 329.466 1.074 0 40 EDAB COc1ccc(NC(=O)CN2CCN(C(C)=O)CC2)cc1Cl 34858943 AMERKHHBNUPJKZ-UHFFFAOYSA-N 325.796 1.451 0 40 EDAB COC(=O)C1(C(=O)OC)CCC(=O)C[C@H]1c1ccc2c(c1)OCO2 1425875 TYKPXWCTSBHOLX-LBPRGKRZSA-N 334.324 1.584 0 40 EDAB Cc1cccc(NC(=O)Cn2cc(I)cn2)n1 1432967 KKBVQTMDFZPILD-UHFFFAOYSA-N 342.140 1.830 0 40 EDAB COc1ncccc1CNC(=O)Nc1ccc2c(c1)NC(=O)CO2 43690578 RWJMPWBHXFNDQP-UHFFFAOYSA-N 328.328 1.743 0 40 EDAB COc1cc2c(cc1OC)CCN(C(=O)Cn1ccccc1=O)CC2 56462060 KCMFLHBQUPPZTH-UHFFFAOYSA-N 342.395 1.493 0 40 EDAB Cc1ccc(-n2ncc(C(=O)N3CCC[C@H](C(N)=O)C3)c2C)cc1 44022836 WYGPYHRTRQNREX-AWEZNQCLSA-N 326.400 1.827 0 40 EDAB CC1=C(Cc2ccc3c(c2)OCO3)SC2=NS(=O)(=O)CCN21 3268348 GWTLQHZZFLRAOA-UHFFFAOYSA-N 338.410 1.938 0 40 EDAB O=C(CNC(=O)c1ccsc1)NC[C@@H](O)c1cccc(Cl)c1 58229980 FMBARLRDOGDOEY-CYBMUJFWSA-N 338.816 1.981 0 40 EDAB Cn1nccc1CN1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108524644 AQPVUJCFGMHZIS-OAHLLOKOSA-N 342.447 1.836 0 40 EDAB Cc1cc2ncn(C[C@H](O)CN3C(=O)NC(C)(C)C3=O)c2cc1C 44974509 BWRVSGLFPUEARA-LBPRGKRZSA-N 330.388 1.344 0 40 EDAB CC(=O)N1CCC(NS(=O)(=O)c2cccc(Cl)c2F)CC1 44935171 DXWVRVMWMMSXES-UHFFFAOYSA-N 334.800 1.768 0 40 EDAB CC(=O)N1CCN(c2c(NCc3ccc(Cl)cc3)c(=O)c2=O)CC1 101712152 HDVVUWDXPFNEKG-UHFFFAOYSA-N 347.802 1.217 0 40 EDAB Cn1cc(CN2CC[C@@H]3OCCN(C(=O)c4ccsc4)[C@H]3C2)cn1 108535574 NOBLCUXQUOJJMP-HOTGVXAUSA-N 346.456 1.597 0 40 EDAB CC(=O)NC[C@]1(COc2ccc(C(F)(F)F)cn2)C[C@H](O)[C@H](O)C1 107430247 JVJWFAIBMKVJMT-DABQJJPHSA-N 348.321 1.117 0 40 EDAB biogenic,in-vitro Cc1nc2ccccc2n1CC(=O)N1CCN(C[C@@H]2CCCO2)CC1 58354788 RMMWPBVPZJXRRN-INIZCTEOSA-N 342.443 1.668 0 40 EDAB COc1ccc(OC)c(-n2nnnc2SCC(=O)c2ccc[nH]2)c1 58325046 TXERZPCDHGVVMF-UHFFFAOYSA-N 345.384 1.983 0 40 EDAB O=C(NCCCn1cncn1)NC[C@@H](c1ccccc1)N1CCCC1 48278382 BNZNKMZGRXMBQJ-KRWDZBQOSA-N 342.447 1.805 0 40 EDAB Cn1nnnc1N1CCC(NC(=O)c2cc3ccccc3s2)CC1 58428636 XVKIICLXUOBLNE-UHFFFAOYSA-N 342.428 1.824 0 40 EDAB CN(CC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1nncs1 58416836 LWCVXRMUPFFJGF-UHFFFAOYSA-N 339.808 1.701 0 40 EDAB COc1ccc(CNC(=O)CSc2nncs2)cc1OC 3389551 CEKIFWSKXRMIMB-UHFFFAOYSA-N 325.415 1.964 0 40 EDAB Cc1[nH]c2ccc(C(=O)OCc3cc(=O)n(C)c(=O)n3C)cc2c1C 11204644 KXKUCUSPNIXHOD-UHFFFAOYSA-N 341.367 1.539 0 40 EDAB CN(C)C(=O)c1cc(S(=O)(=O)N(C)Cc2ccsc2)cn1C 95984017 MCPZZMOPMQBSSO-UHFFFAOYSA-N 341.458 1.609 0 40 EDAB CCCNC(=O)CN1CCC(NC(=O)c2ccc3c(c2)CCO3)CC1 29224445 NLCDFTSOUVUFGM-UHFFFAOYSA-N 345.443 1.342 0 40 EDAB Cc1cccc(C(=O)NCC(=O)OCC(=O)NC2CCCCC2)c1 3301749 JGOKFQGDRXXBAZ-UHFFFAOYSA-N 332.400 1.717 0 40 EDAB O=C(COC(=O)c1ccc(Cl)nc1)NC(=O)NC1CCCC1 3347817 GFEYRBWXFHKBTL-UHFFFAOYSA-N 325.752 1.660 0 40 EDAB CN(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccc2c(c1)OCO2 48374874 QMDYRCQKUQLVPQ-UHFFFAOYSA-N 333.388 1.568 0 40 EDAB CSc1ncccc1C(=O)OCn1nnc2ccccc2c1=O 2660644 HHTOXEZKJCWLAK-UHFFFAOYSA-N 328.353 1.723 0 40 EDAB C[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)N1CCCC1 12805231 MCDLSPKDKDWESA-CYBMUJFWSA-N 346.456 1.917 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)Cc1nn(C)c(=O)c2ccccc12 48432456 REWIIGXVMBAQNU-ZDUSSCGKSA-N 329.400 1.361 0 40 EDAB CC(C)NC(=O)CC[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 9047588 AEOHPTHPWXJEFH-LBPRGKRZSA-N 347.371 1.345 0 40 EDAB COc1ccccc1CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24675780 ZQLJVSMVBRDYDV-AWEZNQCLSA-N 340.445 1.168 0 40 EDAB COC(=O)c1cc(Cl)ccc1NC(=O)c1nccnc1C(=O)O 71288574 IJHDSPJDLCZAJU-UHFFFAOYSA-N 335.703 1.867 0 40 EDAB COc1cccc(NC(=O)[C@H](C)n2c(=O)[nH]c3ccccc3c2=O)c1 9187274 ZAXDSTAWPKVFDA-NSHDSACASA-N 339.351 1.898 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)COc2ccc(F)cc2)s1 9183732 BTZMOMNOJVLKFI-UHFFFAOYSA-N 331.350 1.098 0 40 EDAB O=C(Cn1ccnn1)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 93245762 CKUVJWMAKLYYGI-CHWSQXEVSA-N 340.305 1.631 0 40 EDAB Cn1cc([C@@H]2OCC[C@H]2CNCc2ccc(OCC(N)=O)cc2)cn1 84317494 VBWHEWIMKDVSIV-KBXCAEBGSA-N 344.415 1.152 0 40 EDAB Cn1cc(CNC(=O)N2CCC(C(N)=O)CC2)c(-c2ccccc2)n1 96007907 XRLZOOGEBNYWNZ-UHFFFAOYSA-N 341.415 1.494 0 40 EDAB CCOc1ncnc2c1CN(C[C@@H](O)COc1ccc(F)cc1)CC2 65466585 HAAIQEVRENWNRL-CQSZACIVSA-N 347.390 1.812 0 40 EDAB CS(=O)(=O)c1ccc(-c2nccc(N3CCC(O)CC3)n2)cc1 65488351 SWYPYNPQQOQPTC-UHFFFAOYSA-N 333.413 1.508 0 40 EDAB Cc1csc([C@@H]2CN(CC(=O)Nc3c(C)nn(C)c3C)CCO2)n1 65458744 NSMYFSMBKPKUDF-ZDUSSCGKSA-N 349.460 1.814 0 40 EDAB CN(C)c1ncccc1CNCc1cnc(N2CCOCC2)nc1 65465620 XUXUUYZGKXJKAJ-UHFFFAOYSA-N 328.420 1.064 0 40 EDAB COC(=O)CC1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1 72405027 PRROUYGMTCZBJC-UHFFFAOYSA-N 343.383 1.349 0 40 EDAB C[C@@H](NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O)c1ccccc1 14186385 BNOWXIOZETVAKN-RDTXWAMCSA-N 337.423 1.776 0 40 EDAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCCC1 4676945 NAIFATNAPPSEJB-UHFFFAOYSA-N 333.407 1.877 0 40 EDAB CS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1 6670235 HRYBTFKUSYWRCU-UHFFFAOYSA-N 332.360 1.931 0 40 EDAB CC(C)N1CC[C@@H](N2CCC(OCCN3CCCCC3)CC2)C1=O 95406267 RZAQWOJAXJQKMH-GOSISDBHSA-N 337.508 1.963 0 40 EDAB CCNC(=O)COc1ccc(CN(CCO)C2CCN(C)CC2)cc1 95430358 ODHFAQYMHDILFU-UHFFFAOYSA-N 349.475 1.090 0 40 EDAB COc1cc(Br)cc(/C=C2/NC(=O)N(C)C2=O)c1OC 409187910 CYFPBKXBAPMBFG-WEVVVXLNSA-N 341.161 1.989 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCC[C@H]1[C@H]1CCCc2ccccc21 83616707 PKWRLUDZVOBIOQ-HOTGVXAUSA-N 336.457 1.647 0 40 EDAB CNC(=O)COC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 95415090 CDDAZIKPSZNPBX-UHFFFAOYSA-N 327.262 1.794 0 40 EDAB Cc1nnc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)s1 16695118 XLEGTABJPMSDMH-CLAHSXSESA-N 337.405 1.286 0 40 EDAB CCn1cc(Br)cc1C(=O)N1CCO[C@@H](CC(=O)O)C1 91292787 LJFXVHQKHYFDCA-JTQLQIEISA-N 345.193 1.586 0 40 EDAB Cc1cc(C)nc(SCC(=O)N[C@H](C)[C@H](C)N2CCOCC2)n1 70003671 AGTZZZAQJROYCF-KGLIPLIRSA-N 338.477 1.411 0 40 EDAB CN(C)c1cc(C(=O)NCCC(=O)NCc2ccccc2)ccn1 70007341 KFWUFRUPOUHYJZ-UHFFFAOYSA-N 326.400 1.584 0 40 EDAB O[C@H](CNCCn1cccn1)COc1cccc(C(F)(F)F)c1 70037155 IONLSDVLQXXNGX-CYBMUJFWSA-N 329.322 1.931 0 40 EDAB Nc1c(NCc2ccc(-n3cncn3)cc2)ncnc1-n1cccn1 91432109 CMSQUEUUFDBLTA-UHFFFAOYSA-N 333.359 1.437 0 40 EDAB COc1ccc(/C=C/C(=O)N2CCCC[C@H]2CNC(N)=O)cc1OC 69487078 UPSSRCLPPIMMNN-KGXGESDWSA-N 347.415 1.766 0 40 EDAB COc1cccc(S(=O)(=O)CCN2CCC[C@H](NC(C)=O)C2)c1 69419110 GVKZVTSIZDOBBC-AWEZNQCLSA-N 340.445 1.069 0 40 EDAB C[C@@H]1CN(c2nccc(C(F)(F)F)n2)CCN1Cc1nccn1C 69451739 QOOXMEAUUWNUBZ-LLVKDONJSA-N 340.353 1.940 0 40 EDAB Cc1ccccc1CN(C)C(=O)CN1CCO[C@H](Cn2cccn2)C1 69415741 WCNPYKDBUHHZQC-SFHVURJKSA-N 342.443 1.551 0 40 EDAB COC(=O)[C@H]1CN(C(=O)c2cn3cccnc3n2)c2ccccc2O1 71888954 KHAJJELBKIMFDG-CQSZACIVSA-N 338.323 1.310 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)Cn2cnc3ccccc3c2=O)cn1 69668928 HRDCBVPDTQYMBF-INIZCTEOSA-N 337.383 1.494 0 40 EDAB CC(=O)N1CCC[C@H](S(=O)(=O)NCCOc2ccc(C)cc2)C1 69620538 FOTAGZWFRYSVPA-INIZCTEOSA-N 340.445 1.304 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)CCN1CCCC1=O 69702693 YSJDQQOJNIDHTM-UHFFFAOYSA-N 334.464 1.779 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)NS(=O)(=O)c2ccc(F)cc2F)cn1 69775873 FKHRSPDITMFPGV-QWRGUYRKSA-N 341.339 1.307 0 40 EDAB Cc1cc(C)c(C(=O)N2CCN(CCNC(=O)C3CCCC3)CC2)[nH]1 95415267 FTAUDYITPHVYLX-UHFFFAOYSA-N 346.475 1.696 0 40 EDAB C[C@@H](Sc1nnnn1C1CCOCC1)C(=O)NCc1ccccc1 69810684 GLYWXLGWMXUTPD-GFCCVEGCSA-N 347.444 1.822 0 40 EDAB Cc1ccc(N2CCC[C@@H](NCC(=O)N(C)Cc3ccco3)C2)nn1 69846474 XWIZYMKTIARKNR-OAHLLOKOSA-N 343.431 1.595 0 40 EDAB COC(=O)c1ccc(CNC(C)(C)C(=O)NC2CCC(O)CC2)cc1 69812808 HDBHXHIKEMNICF-UHFFFAOYSA-N 348.443 1.761 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)NCC(=O)Nc1cccnc1 69978240 SPYNDNNMHLTGPQ-HIFRSBDPSA-N 334.420 1.915 0 40 EDAB O=S(=O)(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cn[nH]c1 69900648 HZQPPENOMMSCHI-LLVKDONJSA-N 341.364 1.907 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)N(Cc2ccsc2)C2CC2)CC1 69950540 LQCPZNZOVXNVTH-CQSZACIVSA-N 337.489 1.238 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(C)c1)n2CCOC 8745793 AWBZTARDKGYDFL-UHFFFAOYSA-N 342.399 1.918 0 40 EDAB O=C([C@H]1CCCN1C(=O)c1cccc2cn[nH]c12)N1CCOCC1 71900226 LHMVGBYFDQOACG-CQSZACIVSA-N 328.372 1.026 0 40 EDAB COc1cc(CNC(=O)COc2cc(C)on2)cc(OC)c1OC 9888087 URGZIKXORHBUNM-UHFFFAOYSA-N 336.344 1.704 0 40 EDAB NC(=O)C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccccc3)n2)C1 97098827 QZFXDDYQTBKLJF-CYBMUJFWSA-N 327.388 1.992 0 40 EDAB O=C(Nc1cccc(F)c1)C1CCN(CCN2CCOC2=O)CC1 69561361 KCPDBBDHAHXHBH-UHFFFAOYSA-N 335.379 1.928 0 40 EDAB COC(=O)C[C@H](NC(=O)Cc1coc2cc(OC)ccc12)C(=O)OC 72245351 DTEDBHLVDOHINW-ZDUSSCGKSA-N 349.339 1.205 0 40 EDAB COc1cccc(COCC(=O)N[C@@H](C(N)=O)c2ccccc2F)c1 72287851 ZXGYJIKANZGSGT-QGZVFWFLSA-N 346.358 1.694 0 40 EDAB CN(CCOC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)OC(C)(C)C 72273335 UWMYWXCXLSDZJC-NSHDSACASA-N 329.397 1.187 0 40 EDAB C[C@H](c1ccsc1)N1CCN(C(=O)NCCC[S@@](C)=O)CC1 97142714 RJZKPAIKXMFYAW-DMZKTXOQSA-N 343.518 1.905 0 40 EDAB Cn1nnc2ccc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)cc21 97109377 PJJZHZXUEQDSKE-UHFFFAOYSA-N 341.346 1.630 0 40 EDAB COc1ccccc1[C@H](CNC(=O)[C@@H]1CNC(=O)N1)N1CCCCC1 89473460 UKRYUABKBVVELT-GJZGRUSLSA-N 346.431 1.020 0 40 EDAB Cc1cc(C)c(CNC(=O)c2[nH]nc(C)c2Br)c(=O)[nH]1 75122285 ZYLKMQNSAWXNDF-UHFFFAOYSA-N 339.193 1.716 0 40 EDAB Cc1ccccc1Nc1nc(N)nc(Cn2nnnc2C(C)(C)C)n1 89690638 IKDHEXQLTJVWSS-UHFFFAOYSA-N 339.407 1.838 0 40 EDAB Cc1ccc(C[S@@](=O)CC(=O)N2CCC[C@@H](C(N)=O)C2)cc1C 89643205 YBTNXUPQNHTUEX-CMJOXMDJSA-N 336.457 1.276 0 40 EDAB O=C(C1CC1)N1CCC[C@H](C(=O)N2CC[C@@H](CN3CCCCC3)C2)C1 89819153 NEZCQMJGIRDTOP-WMZOPIPTSA-N 347.503 1.969 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)c2cccc(Cl)n2)CC1 75582733 QRWCAQURJSSORT-UHFFFAOYSA-N 344.802 1.657 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)CNC(=O)c1cc2ccccc2[nH]1 76065919 QHJHWDNQHZTAQX-LLVKDONJSA-N 339.399 1.817 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 76046007 RZDNWSHLVYIUEA-CQSZACIVSA-N 347.419 1.895 0 40 EDAB CCCNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 113943641 FPZXQLDTKRESSK-UHFFFAOYSA-N 342.417 1.488 0 40 EDAB O=C(Cn1ccccc1=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 32818375 IOFQUMXCCDDHKN-NEPJUHHUSA-N 332.322 1.855 0 40 EDAB COC(=O)[C@@H](CCSC)NC(=O)Nc1ccc2c(c1)OCO2 2428329 WTDSMKBEIDIUHA-SNVBAGLBSA-N 326.374 1.832 0 40 EDAB biogenic O=C1CCc2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)ccc21 529109574 NVAURKPXAABNOX-KGLIPLIRSA-N 348.424 1.999 0 40 EDAB CC1(C)CN(C(=O)NCCc2cnccn2)C[C@H](C(F)(F)F)O1 555567117 CVEBIZOSUPAIBK-LLVKDONJSA-N 332.326 1.770 0 40 EDAB C[C@@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 6071344 GXJVMJBXZYQVCI-NXEZZACHSA-N 345.351 1.638 0 40 EDAB biogenic CCOC[C@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc2c(c1)OCO2 218149646 QMVAOSZZTJCWOU-SOUVJXGZSA-N 327.402 1.050 0 40 EDAB Cc1n[nH]c2c1[C@H](c1ccc(O)cc1)c1c(n(C)c(=O)n(C)c1=O)N2 79501701 LRHVHHAUJJPWON-LBPRGKRZSA-N 339.355 1.058 0 40 EDAB CCN(CC)CCCNS(=O)(=O)c1cnn(-c2ccccn2)c1 72239015 ILOPZYFSXJCGIY-UHFFFAOYSA-N 337.449 1.278 0 40 EDAB Cc1ccc(NC(=O)CCn2cncn2)cc1-c1nnnn1C1CC1 183179027 VCAYSSPTYIEZEP-UHFFFAOYSA-N 338.375 1.604 0 40 EDAB COC[C@@]1(N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218100398 UEGKXVRTHSEBQD-FGTMMUONSA-N 347.436 1.979 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)c2ccccn2)C1 72369558 WTNVDAVIQIHREQ-LLVKDONJSA-N 334.401 1.228 0 40 EDAB CC(C)C(=O)NCCCNC(=O)N1CCC=C(Br)C1 225653884 MJYBERRESLTWIM-UHFFFAOYSA-N 332.242 1.843 0 40 EDAB CNC(=O)c1cc(O[C@H]2CCCN(C(=O)c3c[nH]cc3C)C2)ccn1 576099544 AETNATVJXUSREG-AWEZNQCLSA-N 342.399 1.761 0 40 EDAB CC1=CCCN(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)C1 571393209 GGGDIIBQEPPJGR-AWEZNQCLSA-N 331.420 1.273 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H](Oc2cccnn2)C1 225415400 KSLOQMLJGFUKAW-CYBMUJFWSA-N 327.340 1.428 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CC[C@@H](Oc2cnccn2)C1 225793419 HYZLIXHOJPPXBL-IUODEOHRSA-N 327.340 1.296 0 40 EDAB S=C(NC[C@@H]1CCCO1)NC1CCN(Cc2ccccn2)CC1 44222153 HCDUMSCKCOIIOS-INIZCTEOSA-N 334.489 1.689 0 40 EDAB O=S(=O)(NCc1nccc(N2CCCC2)n1)c1ccc(F)cc1 224155002 ZFUXGZZVIDGZJE-UHFFFAOYSA-N 336.392 1.694 0 40 EDAB CCc1oc(C(=O)N2CCC[C@@H](N(C)S(C)(=O)=O)C2)cc1C 195539697 NPGKCZQGAAXCSM-GFCCVEGCSA-N 328.434 1.646 0 40 EDAB Cc1nnc([C@H](C)S(=O)(=O)c2nc(Cc3cccs3)n[nH]2)o1 195163140 RENBODHINAJKFF-ZETCQYMHSA-N 339.402 1.683 0 40 EDAB CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCC2)cc1 583443293 HKQKSPADYXGORY-UHFFFAOYSA-N 325.386 1.467 0 40 EDAB O=C(N[C@H]1CCCN(c2ccccn2)C1)N1CCCC[C@@H]1CCO 96493259 AWLCJVZOGHONMJ-JKSUJKDBSA-N 332.448 1.997 0 40 EDAB O=C(c1cccnc1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 96202264 XBSVIEHVDTUBIK-IBGZPJMESA-N 338.411 1.846 0 40 EDAB Cn1cc(CN2C[C@@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)cn1 96041274 AQCFPSYJQCFYDH-USXIJHARSA-N 344.415 1.309 0 40 EDAB O=C(C1CC=CC1)N1CCn2c(COc3ccccn3)nnc2C1 96259043 ASFNHXNBVMBNRL-UHFFFAOYSA-N 325.372 1.561 0 40 EDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(CC2CCOCC2)C1)N1CCCCO1 96057685 FBZWMIIAQPFHTN-GVDBMIGSSA-N 338.448 1.446 0 40 EDAB Cc1ccc([C@@H]2CCCN2c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 585092737 LVXWITWJLMLTHM-ZDUSSCGKSA-N 339.399 1.610 0 40 EDAB CCn1nc(C)cc1C(=O)N1CCC2(CC1)C[C@H](COC)N(C)C2 96206561 LTTJSCRCZVHSPC-OAHLLOKOSA-N 334.464 1.784 0 40 EDAB Cc1occc1C(=O)N1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 96239318 FSXWQGONBUVQSA-QGZVFWFLSA-N 328.372 1.591 0 40 EDAB O=C(NCCc1ccccn1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95474482 NSYRHJYMPACGJG-ZDUSSCGKSA-N 349.394 1.670 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3OCC[C@@]3(c3nnc(C)o3)C2)c(C)[nH]1 97953373 ZBHJQOKCWAVWSY-RHSMWYFYSA-N 330.388 1.896 0 40 EDAB O=C([C@@H]1CN(Cc2ccoc2)CC12CCOCC2)N1CCOCC1 96052208 KJHXZBSATKQOGJ-INIZCTEOSA-N 334.416 1.367 0 40 EDAB Cc1ccc(CN2CCO[C@]3(COCCN(CCN(C)C)C3)C2)o1 96049778 GPEAAVQVFPERII-SFHVURJKSA-N 337.464 1.053 0 40 EDAB C[C@@]1(CNC(=O)Nc2cccc(F)c2S(C)(=O)=O)CCOC1 585119656 ORWHHVCQMOHOSM-AWEZNQCLSA-N 330.381 1.777 0 40 EDAB CC(C)COc1cccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 585118935 JAPCMTGBFDLJOG-UHFFFAOYSA-N 342.399 1.517 0 40 EDAB Cc1cnc(C(=O)N2C[C@@H]3CCC[C@H](C2)C3OCC(=O)N(C)C)cn1 96252730 HWMFBDQJLXZMIK-VMZNBEPHSA-N 346.431 1.131 0 40 EDAB CC[C@H]1C(=O)NCCN1C[C@@H](CC(F)F)NC(=O)OC(C)(C)C 585117518 JEZKGQJPZUAVOE-MNOVXSKESA-N 335.395 1.745 0 40 EDAB COC[C@@]1(C(=O)OC)CCCCN1Cc1occc1C(=O)OC 585133287 DONAMJRPIZOPGO-MRXNPFEDSA-N 325.361 1.610 0 40 EDAB Cc1ccc(N2CCC3(CC2)CN(c2cccnc2)C(=O)CO3)nn1 96201438 RYKCUFPPONIJLP-UHFFFAOYSA-N 339.399 1.582 0 40 EDAB CCCn1c([S@](=O)[C@@H](C)c2nc(-c3ccccc3)no2)n[nH]c1=O 96446927 SAJVRMADWCFXGO-JUZXBQNTSA-N 347.400 1.900 0 40 EDAB CN1CC[C@H](N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)C1=O 245343976 WRQZTHDLZXHPDM-YPMHNXCESA-N 346.349 1.608 0 40 EDAB O=S(=O)(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1cccc(F)c1 257281211 OODJFGBCBBWVHA-RBSFLKMASA-N 328.409 1.092 0 40 EDAB CCN(CC)C(=O)CN1CCN(C(C)=O)C[C@H]1c1ccccc1OC 257308136 TVOHEABJVLZISQ-KRWDZBQOSA-N 347.459 1.769 0 40 EDAB CCc1nccn1CC(=O)N1CCNC[C@H]1c1ccc(OC)cc1 257225537 FGQXKUFBQCHTPX-INIZCTEOSA-N 328.416 1.627 0 40 EDAB COCCC(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 257263763 LRIIQAHLMGELQD-KRWDZBQOSA-N 333.432 1.614 0 40 EDAB COc1ccc(CN(C)[C@@H]2CN(C(=O)c3cccnc3)C[C@H]2O)cc1 257310295 UENNJDWXTFXXDK-QZTJIDSGSA-N 341.411 1.408 0 40 EDAB O=C(CN1CCN(C[C@@H](O)c2ccco2)CC1)Nc1nccs1 85436893 LLLWOGZVRBMBTK-GFCCVEGCSA-N 336.417 1.026 0 40 EDAB O=C(O)[C@@H](Cc1cnc[nH]1)NC(=O)C1(Cc2ccc(O)cc2)CC1 1602169197 GRBZGHNIVNWEPN-CQSZACIVSA-N 329.356 1.250 0 40 EDAB CCCN(C(=O)c1ccoc1Br)[C@@H]1CC(=O)N(C)C1=O 283474608 ITGGDUYEEKJVLL-SECBINFHSA-N 343.177 1.652 0 40 EDAB CO[C@H](C)CS(=O)(=O)N1CC[C@H](C(F)(F)F)n2nccc21 1615588175 PCVURDROMOALML-RKDXNWHRSA-N 327.328 1.561 0 40 EDAB CN1C(=O)CCN(S(=O)(=O)c2c[nH]c(C(=O)O)c2)c2ccccc21 606343189 HXWUYLHNJQKOOS-UHFFFAOYSA-N 349.368 1.275 0 40 EDAB O=C(/C=C/c1ccco1)N1CCC(CNC(=O)N2CCNC2=O)CC1 96120413 USMSNKULMNAEET-ONEGZZNKSA-N 346.387 1.266 0 40 EDAB O=S(=O)(CCOc1ccccc1)Nc1cnn([C@@H]2CCOC2)c1 96123302 PRDOQNXLZLDJRH-CQSZACIVSA-N 337.401 1.665 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)NCCn1cnc(C2CC2)cc1=O 390827556 HPTLYIDUDDMKDU-UHFFFAOYSA-N 336.395 1.961 0 40 EDAB CO[C@]1(COc2cccc(F)c2)CCN(C(=O)c2cnn(C)c2)C1 585278504 TVHNWFOUPSHDJD-QGZVFWFLSA-N 333.363 1.869 0 40 EDAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCOCC2)C3)[nH]1 585104059 KZVUCHAFAFMMEY-OAHLLOKOSA-N 348.447 1.062 0 40 EDAB CCc1nc(CC(=O)N2CCCN(Cc3nccn3C)CC2)cs1 69892588 QJVMORYFAJMTSQ-UHFFFAOYSA-N 347.488 1.716 0 40 EDAB Cc1occc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1=O 585096819 DBMVSVIWYBLIDT-AWEZNQCLSA-N 342.399 1.822 0 40 EDAB CC[C@@H]1CN(Cc2nccn2CC(F)(F)F)CCN1C[C@@H](C)O 72279813 QINKEOVBLWPGSR-CHWSQXEVSA-N 334.386 1.722 0 40 EDAB CC(=O)N1CCC(NC(=O)Nc2ccc(-n3ccnc3)nc2)CC1 44966727 NQUYKZQIIMVJAG-UHFFFAOYSA-N 328.376 1.400 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 48291063 WSECTXOFNJFXFK-CQSZACIVSA-N 342.399 1.535 0 40 EDAB CCOc1ccccc1OC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 55623171 MDRDOJVNGTVJGX-UHFFFAOYSA-N 343.383 1.852 0 40 EDAB Cc1ccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)cc1C(F)(F)F 51587231 YFLWNRCZUWWDFQ-LLVKDONJSA-N 331.294 1.732 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 56073108 XIZPIKWEEUTCDC-QWHCGFSZSA-N 333.454 1.174 0 40 EDAB CC(C)=C[C@H]1[C@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)C1(C)C 57991547 AXXKQAPRYWTQMO-UONOGXRCSA-N 328.478 1.719 0 40 EDAB C[C@H](NC(=O)N1CC[C@H](Cc2cnn(C)c2)C1)C(=O)N1CCCCC1 83995731 OAPONOMDJHHOSC-LSDHHAIUSA-N 347.463 1.395 0 40 EDAB CCc1ccc(C(=O)N2CCN(C(=O)NC3CCOCC3)CC2)cc1 80088152 AJUMBKJFCOARGV-UHFFFAOYSA-N 345.443 1.895 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 85472070 BNVXIPBLDFFKMU-AWEZNQCLSA-N 327.388 1.095 0 40 EDAB O=C(NCCc1ccc(OCc2ccccc2)cc1)[C@H]1CNCCO1 187440306 DBBXXNLIZZCNCI-LJQANCHMSA-N 340.423 1.913 0 40 EDAB Cc1ccc(C(=O)N2CC[C@](O)(COc3ccc(F)cc3)C2)c(O)n1 1615143906 DBUCQOOGYRQGLP-GOSISDBHSA-N 346.358 1.891 0 40 EDAB C[C@@]1(O)CN(Cc2cscn2)CC[C@H]1n1cnc2c(N)ncnc21 1615526802 AQGDZFSYHGGSAD-IAQYHMDHSA-N 345.432 1.063 0 40 EDAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)NC(C)C)c(=O)n12 12181933 OXCLXZVDSLEEHG-UHFFFAOYSA-N 328.372 1.491 0 40 EDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccccc2)cc1 12199443 JEDDRKYHXQDWTC-UHFFFAOYSA-N 344.392 1.819 0 40 EDAB CCn1cc(CN2CCn3c(CO)nnc3C2)c2ccc(F)cc21 12222308 ILDOLPHMRFHIBA-UHFFFAOYSA-N 329.379 1.900 0 40 EDAB Cc1cc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCCO4)nn1C 12226476 CCMMLOWCQSLUGR-WUKNDPDISA-N 344.396 1.794 0 40 EDAB CCCCNS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585641 KXKPCRDUSPFOCA-UHFFFAOYSA-N 342.442 1.804 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)c1cccc2nsnc12 14248100 WQAWIWXYHCZMHY-SECBINFHSA-N 337.430 1.773 0 40 EDAB Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCCC[C@@H]1C 16249191 YESYKIYAOGZXQL-VIFPVBQESA-N 327.431 1.628 0 40 EDAB CC1(C)S[C@@H]2[C@@H](NC(=O)NC3CCCCC3)C(=O)N2[C@@H]1C(=O)O 16577284 YGYNBLXWUDRFHI-HOSYDEDBSA-N 341.433 1.134 0 40 EDAB CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)C2CCC2)C3)CC1 19016827 UVOUMNKSCXZSGG-UHFFFAOYSA-N 342.443 1.887 0 40 EDAB Cc1ccc(C(=O)Nc2cccc(CN3CCOCC3)c2)c(=O)n1C 19131874 XMLIRIZCCRSOOR-UHFFFAOYSA-N 341.411 1.778 0 40 EDAB O=C(NCc1ccc(-c2ccnc3ncnn23)cc1)c1cnccn1 19334645 NAMFQOSMKFOJIE-UHFFFAOYSA-N 331.339 1.511 0 40 EDAB COC[C@](C)(CNC(=O)C(=O)Nc1cc(Cl)ccc1OC)OC 575613918 YEBDEXNJDYGPKE-HNNXBMFYSA-N 344.795 1.455 0 40 EDAB NC(=O)NC(=O)COC(=O)c1csc(NCc2ccccc2)n1 9949429 RMXKWUKSZNHBRZ-UHFFFAOYSA-N 334.357 1.107 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1 4476835 FRYFTMCNIQBKFC-KRWDZBQOSA-N 342.355 1.697 0 40 EDAB CCN=c1cc(C)nc(N2CCN(c3ccnc(C4CC4)n3)CC2)[nH]1 1888863982 PPDDRZQCONRMAM-UHFFFAOYSA-N 339.447 1.633 0 40 EDAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ncc(Br)cn2)C1 1889065319 GVEXPWKYRXUKLS-SECBINFHSA-N 327.226 1.980 0 40 EDAB CCn1nccc1C(=O)N1CC[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037984449 BQOXILTWHNQWGH-QGZVFWFLSA-N 334.420 1.003 0 40 EDAB Cc1cccnc1C(=O)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 2056225173 FMAHMNXGAPFANY-IRXDYDNUSA-N 338.411 1.510 0 40 EDAB COCCN1CC[C@]2(CN(C(=O)c3cc(C4CC4)on3)C[C@H]2C)C1=O 1614935730 WSMVHJIIJCHURH-KZULUSFZSA-N 347.415 1.509 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1 1565544025 ATUJZXGKBPQASB-UHFFFAOYSA-N 339.461 1.268 0 40 EDAB Cc1nc(-n2cccc2)sc1C(=O)N1CC(Cn2cncn2)C1 1565523814 XFCRFPIEILOZEP-UHFFFAOYSA-N 328.401 1.606 0 40 EDAB CCc1cc(=O)[nH]c(SCC(=O)NCc2ccc3c(c2)OCO3)n1 5154942 MEQMYNUBEYDYPU-UHFFFAOYSA-N 347.396 1.470 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CSc2cc(C)[nH]c(=O)n2)c1 8556391 HSKVRDPVLRLGID-UHFFFAOYSA-N 332.385 1.768 0 40 EDAB COC(=O)[C@H]1CC12CCN(S(=O)(=O)Cc1cccc(F)c1)CC2 575615800 IDIPJDHPUMPINE-CQSZACIVSA-N 341.404 1.931 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)C3(c4ccc(F)cc4)CC3)C2)n1 585603426 TZVVWEHLLQPCDF-UHFFFAOYSA-N 341.386 1.881 0 40 EDAB Cc1cnc(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)cn1 40477364 QMRARWFEWLGYGU-OAHLLOKOSA-N 330.388 1.490 0 40 EDAB Cc1cc(CN(C)C(=O)Cc2csc(N3CCCC3=O)n2)no1 31658862 YWQQJJSZKMUICJ-UHFFFAOYSA-N 334.401 1.767 0 40 EDAB CSc1ccccc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 31738238 HQPZUCUOYDBQKV-UHFFFAOYSA-N 342.424 1.992 0 40 EDAB COc1ccc(C2=CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)cc1 40542390 ACSVQVUUYHMEMP-UHFFFAOYSA-N 327.384 1.919 0 40 EDAB Cn1nc(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c2ccccc2c1=O 40553832 KKKDHFDVZULHLP-IRXDYDNUSA-N 341.411 1.646 0 40 EDAB C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)Cc1ccccc1F 40528438 SNUNFPNIVFCMQC-WCQYABFASA-N 329.393 1.424 0 40 EDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCC(C(N)=O)CC1 51186188 ULCYQXKEFZLDFV-NSHDSACASA-N 339.386 1.209 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCN3CCC[C@@H]3C1)C(=O)C2 101069152 DASHMJJBDMSNRE-JJRVBVJISA-N 340.489 1.492 0 40 EDAB COc1cccc(N2C(=O)/C(=C\NCCO)c3ccccc3C2=O)c1 101189279 CNNHYCZQGRJJLI-ATVHPVEESA-N 338.363 1.805 0 40 EDAB CC(C)Cc1nnc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 101869203 WZZZHYADSUFNEC-GHMZBOCLSA-N 348.428 1.626 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)NCCCOC[C@H]1CCCO1 52168146 WVLNBIVARDRDLH-MRXNPFEDSA-N 344.415 1.891 0 40 EDAB O=C(O)c1nc(S(=O)(=O)Cc2ccccc2F)ncc1Cl 32623456 DQXBBFUNYZLJLU-UHFFFAOYSA-N 330.724 1.941 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N[C@H](C)c1ccccc1F 32895581 PDILCQYSKROFNP-SECBINFHSA-N 341.364 1.765 0 40 EDAB Cc1ccn2cc(C(=O)NCCCCN3CCN(C)CC3)nc2c1 41361849 OEOPRYHLXIQITE-UHFFFAOYSA-N 329.448 1.400 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(Cc2cc(C)n[nH]c2=O)cc1 33026726 FSOUAWHCAHPACT-UHFFFAOYSA-N 335.429 1.700 0 40 EDAB C[C@H](NC(=O)CSc1cccc[n+]1[O-])c1ccc2c(c1)CC(=O)N2 53356370 PUVBRQRVBZMBBM-NSHDSACASA-N 343.408 1.784 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)[C@](F)(Cl)C(F)(F)F)cc1 2766135 VCNRJVXOHUBVGM-MRVPVSSYSA-N 334.678 1.739 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@@H](c2ccc(F)cc2)N1 12345924 OSKOTDUEOYPQIN-IUODEOHRSA-N 331.347 1.455 0 40 EDAB O=C(c1ccccc1F)N1CCCN(S(=O)(=O)CC2CC2)CC1 78995959 GNPNWCDILBSBGR-UHFFFAOYSA-N 340.420 1.713 0 40 EDAB O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)C2CCC2)cc1 47375000 WIGISWQWWHRYOC-UHFFFAOYSA-N 344.371 1.306 0 40 EDAB COCCN1[C@@H](C)CN(C(=O)c2cc(F)c(F)c(O)c2F)C[C@H]1C 97374939 CNULTUJYLYWLJB-AOOOYVTPSA-N 346.349 1.991 0 40 EDAB CCc1ncncc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 79430927 KYVQVLHTDCSUQS-UHFFFAOYSA-N 326.404 1.438 0 40 EDAB Cc1cc(NC(=O)CCCNC(=O)C2CC2)n(Cc2ccccn2)n1 79995323 OYRDLTBLOMHHDG-UHFFFAOYSA-N 341.415 1.880 0 40 EDAB CCCCn1nnnc1CNC(=O)c1ccn(-c2ccccc2F)n1 71910455 ITSSCNMRAFWWDY-UHFFFAOYSA-N 343.366 1.728 0 40 EDAB CN(Cc1ccco1)C(=O)COC(=O)c1ccc2c(c1)OCCO2 22705832 NYTRMSQJIKRNDD-UHFFFAOYSA-N 331.324 1.866 0 40 EDAB CS(=O)(=O)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 42280410 JRRNIZCQZQYATL-UHFFFAOYSA-N 329.765 1.398 0 40 EDAB CC(C)C[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1Cl)C(=O)O 3205170 XLLXQESVWYYMTQ-JTQLQIEISA-N 349.792 1.816 0 40 EDAB Cn1/c(=N\C(=O)[C@H]2CSC(C)(C)C(=O)N2)sc2ccccc21 104716110 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40 EDAB CN(CC1CCCCC1)C(=O)CNC1=NS(=O)(=O)c2ccccc21 12990135 DNSDGBJMNYRISU-UHFFFAOYSA-N 349.456 1.764 0 40 EDAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(C(=O)OC)ccc2C)C1=O 12924725 QKLWEPQHYFQGSW-KRWDZBQOSA-N 347.371 1.441 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCCNc2ccccn2)ccc1F 13250112 LFWXTRIRVDNFOW-UHFFFAOYSA-N 339.348 1.309 0 40 EDAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nncc(O)n2)c1 5009491 IWDSBBXTVSDKOW-UHFFFAOYSA-N 348.384 1.873 0 40 EDAB Cc1cccn2c(CNC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)cnc12 65404391 DSYNTJOLGHINLI-CQSZACIVSA-N 328.416 1.763 0 40 EDAB COc1cccc([C@H](CNC(=O)N[C@@H](C)Cn2ccnc2)N(C)C)c1 65458033 VYHZTZKHCGHQGB-YOEHRIQHSA-N 345.447 1.882 0 40 EDAB NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1 14098067 FTUHBVQHYRFUBQ-ZDUSSCGKSA-N 326.324 1.470 0 40 EDAB Cc1ccc(C)c(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 65587922 AVIOYMDWWWTCQJ-CYBMUJFWSA-N 325.434 1.849 0 40 EDAB COc1ccc(NC(=O)NCc2[nH]ncc2Br)cn1 65548858 NROIKYQCRWLYEZ-UHFFFAOYSA-N 326.154 1.898 0 40 EDAB CN(Cc1nc2ccccc2c(=O)[nH]1)c1nnnn1-c1ccccc1 14139313 MUMLCOJIVUYZPM-UHFFFAOYSA-N 333.355 1.535 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1nccs1 14136921 FADNLECYSBXWRF-MRXNPFEDSA-N 342.380 1.475 0 40 EDAB COCCN1CC[C@@H](CNC(=O)COc2ccc(F)cc2F)C1 65625903 PEOZOJCPLMANDL-LBPRGKRZSA-N 328.359 1.428 0 40 EDAB COc1ccc(-c2nnc(CN3C(=O)[C@H]4CCCN4C3=O)o2)cc1 14372135 SCGCEMCDJFRASS-GFCCVEGCSA-N 328.328 1.672 0 40 EDAB CCOC(=O)N1CCC2(CC1)NC(N)=Nc1nc3ccccc3n12 6657408 GXSHDPOTDTUUGC-UHFFFAOYSA-N 328.376 1.491 0 40 EDAB CC1(CNC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)CCCC1 66596361 KWUFMDOFNYRFDG-HZPDHXFCSA-N 339.480 1.603 0 40 EDAB CC(C)Cc1cc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)nc(N)n1 67856503 VWUJFPQBKDYIOM-SFHVURJKSA-N 345.447 1.342 0 40 EDAB O[C@H](COC[C@@H]1CCCO1)CN1CCN(c2ccccc2F)CC1 68048609 WIALFKJOQWJYSC-HOTGVXAUSA-N 338.423 1.504 0 40 EDAB O=C(Cc1ccccc1Cl)NCCS(=O)(=O)NCC1CCC1 68496729 CABIPKBGTHLPRR-UHFFFAOYSA-N 344.864 1.718 0 40 EDAB COc1ccc(F)cc1COC(=O)Cn1nnc2ccccc2c1=O 16275244 ZXVPRAHEHZNTIS-UHFFFAOYSA-N 343.314 1.683 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC1 70040903 VVCFDAWHTMLURX-ZDUSSCGKSA-N 348.834 1.664 0 40 EDAB Cc1nc(-c2cccc(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)c2)cs1 8343420 QCDHUJDJXSRONU-UHFFFAOYSA-N 328.353 1.747 0 40 EDAB CN(C)C(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 8388979 GAAUNEKLLLOMKZ-UHFFFAOYSA-N 336.355 1.616 0 40 EDAB COC(=O)CNC(=O)c1ccc(I)c(F)c1 69437409 TUOHLPYFAIPWSP-UHFFFAOYSA-N 337.088 1.333 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3nc(-c4ccccn4)no3)CCO2)c1 69451511 KOZMTWBHVWZZHM-AWEZNQCLSA-N 340.387 1.538 0 40 EDAB Cn1cc(CCC(=O)N2CCN(c3ccc(Cl)cn3)CC2)cn1 69405508 CWKGYVJITRYFPV-UHFFFAOYSA-N 333.823 1.750 0 40 EDAB COC(=O)c1ccccc1NC(=O)Cc1n[nH]c(=O)c2ccccc12 8424613 VPIIRNMAPGGADX-UHFFFAOYSA-N 337.335 1.891 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CCCCN1CCC(=O)N1CCOCC1 71897255 GMTRQHDTWNFBAL-CQSZACIVSA-N 325.453 1.005 0 40 EDAB Cc1cc(NC(=O)CN2CCCC[C@H]2Cn2nc(C)nc2C)n(C)n1 69597838 ZIKKYRAATLPNBY-HNNXBMFYSA-N 345.451 1.430 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCN(CCOC)CC1 69627836 GVEVHWVAFCRLDB-LSDHHAIUSA-N 337.468 1.445 0 40 EDAB CCC(=O)Nc1ccc(C)c(NC(=O)NCCS(C)(=O)=O)c1 69629627 QFFKTKFKKFVQJV-UHFFFAOYSA-N 327.406 1.510 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)N2CCC(c3ccccc3)=N2)C[C@H]1C 71864276 CYVUHWWIAQACFN-HZPDHXFCSA-N 344.459 1.010 0 40 EDAB Cc1noc(CCNC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)n1 71897747 URTZQPOLHGWZQP-CQSZACIVSA-N 343.431 1.836 0 40 EDAB CN(CCCNC(=O)N1CCS(=O)(=O)CC1)c1ccccc1F 71803929 SUNHESRGRUDNCB-UHFFFAOYSA-N 343.424 1.092 0 40 EDAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C 71835216 MDYNJQVALPUTRQ-LSDHHAIUSA-N 341.411 1.608 0 40 EDAB O=S(=O)(CCCN1CCC[C@@H]1Cn1cncn1)c1ccccc1 69700132 UANJSVOROITPBX-OAHLLOKOSA-N 334.445 1.607 0 40 EDAB CN(C)c1cc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)ccn1 69703948 BBGPLMOLGWRXSH-UHFFFAOYSA-N 342.447 1.229 0 40 EDAB CCCCNC(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 71858791 LKUHQEFTSOJFOJ-AWEZNQCLSA-N 339.461 1.939 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)N2CCC[C@H](C(=O)O)C2)C1=O 96571721 NQOYUJXACCMPMY-OLZOCXBDSA-N 346.383 1.514 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cn1 69967380 CMALELGXIOISGN-PWSUYJOCSA-N 344.337 1.494 0 40 EDAB CCCN(CC(=O)NC)CC(=O)Nc1ccc(Br)cc1 69967883 HEYOXSOYRBKCBB-UHFFFAOYSA-N 342.237 1.846 0 40 EDAB Cn1cc(CCC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cn1 69947579 UQCIOWYOQQHKLD-SFHVURJKSA-N 342.443 1.231 0 40 EDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)NCCCn2cncn2)o1 84195305 JPDIPZARIXKANV-CYBMUJFWSA-N 339.421 1.241 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)CCO2)n1 72299537 CYWLDMSBNPTHQX-KGLIPLIRSA-N 348.790 1.670 0 40 EDAB O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1nc(=O)[nH][nH]1 72286333 RNNWJQUBUWNBOX-XMMPIXPASA-N 342.380 1.658 0 40 EDAB Cc1cn2nc(N3CCO[C@@H](Cn4nc(C)nc4C)C3)sc2n1 72276528 JDPRABFKGSQGSZ-GFCCVEGCSA-N 333.421 1.213 0 40 EDAB COc1cccc2c1OC[C@H](C(=O)N[C@@H]1CCc3nccn3C1)C2 72235890 ZCPUQLHTKDNLTJ-ZIAGYGMSSA-N 327.384 1.574 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)Cc2cccnc2)[C@H]1c1ccc(F)cc1 95440498 YCSXIOCKFRODGV-CRAIPNDOSA-N 327.359 1.851 0 40 EDAB C[C@@](O)(Cc1ccccc1)C(=O)N1CCN(C(=O)C2CCCC2)CC1 95405493 RYCGWVCHTMZMAU-HXUWFJFHSA-N 344.455 1.841 0 40 EDAB COc1ccc(C(=O)N2CC[C@@H](O)C2)c(I)c1 95415577 MATZFXURHGFQRW-MRVPVSSYSA-N 347.152 1.507 0 40 EDAB CS(=O)(=O)NC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 95982385 YZAATGISIJPBQR-UHFFFAOYSA-N 338.477 1.195 0 40 EDAB O=C(NC1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1)c1ccc[nH]1 95987339 KEYTWSTUGGKGLJ-MSOLQXFVSA-N 325.412 1.867 0 40 EDAB CCOc1nnc(CN2CCC(C(=O)Nc3ncccn3)CC2)s1 95955444 QUPVNEBHZPGZEO-UHFFFAOYSA-N 348.432 1.578 0 40 EDAB COCCN(C(=O)c1cc(C)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 95966891 UKQGBQHIFMIVFJ-CQSZACIVSA-N 345.848 1.924 0 40 EDAB Cc1noc(CCC(=O)NS(=O)(=O)c2ccc3c(c2)CCC3)n1 85981525 IRTWDFMCLWHCLP-UHFFFAOYSA-N 335.385 1.304 0 40 EDAB CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1nonc1C 89556417 RAPQIFQZVWUTJR-AWEZNQCLSA-N 345.334 1.684 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)[nH]n1 89568614 WBKLAECIKQYUNW-IAGOWNOFSA-N 326.400 1.444 0 40 EDAB COc1ccccc1[C@@H](O)Cn1cc(C(=O)NCc2ccco2)nn1 75164051 HEKXFRRIKBFYBM-HNNXBMFYSA-N 342.355 1.543 0 40 EDAB NS(=O)(=O)CC1CCN(Cc2noc(C3CCCCC3)n2)CC1 89992260 APCSXHGOAKFICW-UHFFFAOYSA-N 342.465 1.618 0 40 EDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCc1nnc2n1CCCCC2 89917579 IBGGLIQGUHXOAX-DFBGVHRSSA-N 333.436 1.617 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 89938480 WKESLPJCPOICCU-JTQLQIEISA-N 330.837 1.520 0 40 EDAB CCNC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408610801 VYOOTSHFAZGFLG-UHFFFAOYSA-N 340.445 1.766 0 40 EDAB COC[C@@H](C)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 89912545 LEWYNLJBRIRBJL-MJGOQNOKSA-N 345.487 1.830 0 40 EDAB COc1c([C@H]2CCCN2C(=O)c2cn3cccnc3n2)c(C)nn1C 75602451 XXZAHIHJFRWYIB-CYBMUJFWSA-N 340.387 1.757 0 40 EDAB Cc1n[nH]c([C@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)n1 76049037 LKTIBPDTJPOAHZ-OAHLLOKOSA-N 327.388 1.076 0 40 EDAB O=C1NC(=O)/C(=C\c2cc(I)ccc2O)N1 408721485 IQPXYGCZBVICCH-QPJJXVBHSA-N 330.081 1.177 0 40 EDAB CC1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CNC2CCCCC2)CC1 20466030 XKJYRWWNDZAZDB-VSZNYVQBSA-N 326.481 1.130 0 40 EDAB biogenic,in-vitro CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408550519 DBXHMLKNPBNKDE-ZDUSSCGKSA-N 342.461 1.977 0 40 EDAB Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(F)cc2)cc1 33742650 WNQGAPGRVGAYHY-UHFFFAOYSA-N 329.331 1.828 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306137974 RLQBVKXKGFVYOE-CYBMUJFWSA-N 326.356 1.182 0 40 EDAB Cc1oc(CNS(=O)(=O)c2cccc(N(C)C)c2)cc1C(=O)O 549517301 KHMXVWPJOIMHBJ-UHFFFAOYSA-N 338.385 1.831 0 40 EDAB CCn1c(NCc2ccc3c(c2)OCO3)nc2c(C)nn(C)c2c1=O 32651789 VXPADSVJYIYYOW-UHFFFAOYSA-N 341.371 1.799 0 40 EDAB Cn1cc(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)c2ccccc21 527562185 KIWAMTMRWXTTIM-WQGACYEGSA-N 339.399 1.581 0 40 EDAB COCCC(=O)N1CCC[C@@H](c2nccnc2Nc2ncccn2)C1 72362410 UTAXISRBPQWYNR-CYBMUJFWSA-N 342.403 1.753 0 40 EDAB CN(C)C(=O)N1CCN(c2ccccc2S(=O)(=O)C(F)F)CC1 78551190 JPWUJVHYUQHVHU-UHFFFAOYSA-N 347.387 1.487 0 40 EDAB C[C@H](NC(=O)C(=O)Nc1ccn(C)n1)c1nc2cc(Cl)ccc2[nH]1 77764288 PDZMCZSWVOMCTG-QMMMGPOBSA-N 346.778 1.766 0 40 EDAB O=C(NCc1ccccc1F)[C@H]1COCC(=O)N1Cc1ccccc1 70641560 FBLSBMTUEIFDQP-QGZVFWFLSA-N 342.370 1.870 0 40 EDAB COc1ccc2[nH]cc(CCNC(=O)c3ccc4nnnn4c3)c2c1 72326175 ZVKDQOKITHOROH-UHFFFAOYSA-N 336.355 1.587 0 40 EDAB biogenic Cc1ccc(S(=O)(=O)[C@H]2C[C@]2(CN)NC(=O)OC(C)(C)C)cc1 217989689 APJBXMFIDGDCRU-XJKSGUPXSA-N 340.445 1.763 0 40 EDAB O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)N1CCOCC1 38498000 WODOMJWNPGDPHI-UHFFFAOYSA-N 330.340 1.514 0 40 EDAB O=c1n(CCCN2CCN(c3ccccc3)CC2)nc2ccccn12 77286492 JGIRPKCVHRVHJZ-UHFFFAOYSA-N 337.427 1.708 0 40 EDAB in-vitro Cc1c(S(=O)(=O)NC[C@@H](C)Cn2cccn2)cnn1C(F)F 36614952 OGLBYPMDCZAZQQ-SECBINFHSA-N 333.364 1.398 0 40 EDAB CC(C)N1C(=O)CO[C@H](c2ccc(NC(=O)C3CC3)cc2)[C@H]1CO 72321172 SCIDWTHGXBPMHB-NVXWUHKLSA-N 332.400 1.704 0 40 EDAB biogenic,in-vitro CC(C)(NC(=O)CN1CCN(c2ccccn2)CC1)c1nccs1 81410216 UJUQMLXDUXTCCN-UHFFFAOYSA-N 345.472 1.712 0 40 EDAB COC(=O)CNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 45170027 HFYYPIUURNKGIV-UHFFFAOYSA-N 342.330 1.705 0 40 EDAB Cc1cccc(OC[C@H]2C[C@@H](NCc3c(C)noc3C)[C@H](O)[C@@H]2O)n1 225502500 OAKIRGKFCCKGBQ-UWIFEVILSA-N 347.415 1.274 0 40 EDAB biogenic,in-vitro Cc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCC3)c2=O)cc1 222659148 YXEHPWBXLGZIIV-UHFFFAOYSA-N 329.356 1.128 0 40 EDAB O=C(c1ccn(CC(F)F)n1)N1Cc2cnnn2Cc2ccccc21 194569860 PAMBLISSPCFGGL-UHFFFAOYSA-N 344.325 1.948 0 40 EDAB C[C@@H]1CN(C)C[C@H](c2nc(-c3cccc(-n4ccnc4)n3)no2)O1 527544429 DZVDTOPUSKTPDF-DGCLKSJQSA-N 326.360 1.709 0 40 EDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1nncs1 44893190 GVLRYAGLCRPFCP-UHFFFAOYSA-N 346.416 1.001 0 40 EDAB Cc1n[nH]c(SCC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2)n1 81474979 MCMVNNFVWPEPAA-WCQYABFASA-N 331.445 1.989 0 40 EDAB CCS(=O)(=O)c1ccccc1N1CCc2nn(C)c(=O)cc2C1 225519986 CLDVSTSDYDTIMI-UHFFFAOYSA-N 333.413 1.137 0 40 EDAB O=C(NCCn1cnc2ccsc2c1=O)c1cc(C2CC2)on1 225773887 HESWYLFCNYZIAS-UHFFFAOYSA-N 330.369 1.753 0 40 EDAB CN([C@]1(CO)CCOC1)S(=O)(=O)c1cnc2ccsc2c1 583652125 YYXKDSJSVDSIKF-ZDUSSCGKSA-N 328.415 1.068 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)OCc2ccccc2)CC1 96426679 OQEUIAROTJBGDF-ZMSDIMECSA-N 330.428 1.919 0 40 EDAB CN1N=C(c2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)CCC1=O 96405329 LOWUQVRNXDBRKG-UHFFFAOYSA-N 349.391 1.930 0 40 EDAB O=C([C@H]1CCCO1)N1CC[C@@H]2O[C@@H](COCc3cccnc3)CC[C@@H]21 96186138 SNMVKHJELWFWBP-VSZNYVQBSA-N 346.427 1.926 0 40 EDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)c4cnccn4)CC3)O2)n1 96109946 PKUPQCPXTUNUJY-ZDUSSCGKSA-N 329.360 1.695 0 40 EDAB O=C(c1ccoc1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 96049155 UDIDPPFIMPRJNB-KRWDZBQOSA-N 328.372 1.581 0 40 EDAB CN(Cc1cccs1)C(=O)CN1CCc2ncnc(N(C)C)c2C1 97200453 ZMQWIWNUFMIYKM-UHFFFAOYSA-N 345.472 1.621 0 40 EDAB COC[C@H](C)S(=O)(=O)NC1CCN(CC2CCCCC2)CC1 96410375 CNSWZTJJAIXODC-AWEZNQCLSA-N 332.510 1.985 0 40 EDAB CS(=O)(=O)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 96207850 MOPSZGXQHKMXTI-AWEZNQCLSA-N 340.445 1.539 0 40 EDAB CO[C@H]1CCN(C(=O)c2cccn2C)[C@@H]2CN(Cc3ccco3)C[C@H]12 96219924 LHJCVFXOSMBFFB-JQHSSLGASA-N 343.427 1.980 0 40 EDAB Cc1cc(CN2CCn3c(COCC(=O)N(C)C)cnc3[C@@H]2C)no1 96109724 UBJDSOCVCZIDQP-ZDUSSCGKSA-N 347.419 1.361 0 40 EDAB Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2nncn2-c2ccccc2)n1 580730097 XWXNPKITVMQREK-WBMJQRKESA-N 340.387 1.921 0 40 EDAB Cn1cnc2c1[C@H](COCC1CC1)CN(S(=O)(=O)C1CC1)C2 96060256 WOJFOEAYGDLECS-LBPRGKRZSA-N 325.434 1.238 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(c3ncccn3)C[C@@H]12)N1CCCCO1 96057298 KMTWIIOBCIUHQH-KFWWJZLASA-N 332.404 1.120 0 40 EDAB Cn1ccnc1CN1CC[C@]2(COCCN(Cc3ccco3)C2)C1 96202066 HJNUZSSAEIGESO-SFHVURJKSA-N 330.432 1.738 0 40 EDAB O=C(c1nccn2ccnc12)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 96450194 FSYAADNGAMIQOG-ZNMIVQPWSA-N 325.416 1.676 0 40 EDAB COc1ccccc1CN1CC[C@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 96107705 RMMVSSAANRCBMN-APWZRJJASA-N 348.443 1.533 0 40 EDAB Cc1nc([C@@H](NC(=O)c2nccnc2N)c2ccc(Cl)cc2)no1 92700548 VFYSNXVVCBFKIC-NSHDSACASA-N 344.762 1.923 0 40 EDAB CS[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3ccccn3)CC2)C1 96436611 KNSDIIXIPJWMOH-JKSUJKDBSA-N 348.516 1.994 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96224450 JBOHRGLHWCBFLN-INIZCTEOSA-N 337.445 1.246 0 40 EDAB O=S(=O)(c1ccc(NC2CCC(O)CC2)nc1)N1CCCC1 25665174 DOPBYURTMYANRR-UHFFFAOYSA-N 325.434 1.582 0 40 EDAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(CC(N)=O)C[C@@H]3C[C@@H]21 257341070 ZISLODXCEOXXER-MOWSHJCCSA-N 346.427 1.817 0 40 EDAB Cc1cc(NC(=O)c2c[nH]c(=O)n(Cc3cccs3)c2=O)on1 85436277 QUOKGVAAUCRKOX-UHFFFAOYSA-N 332.341 1.195 0 40 EDAB CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)Nc2ccn(C)n2)n1 585120067 NOWHNXXPBQMZSE-JTQLQIEISA-N 349.395 1.624 0 40 EDAB CC(C)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 585130712 ZQXQYQAXXGERDU-NEPJUHHUSA-N 336.354 1.717 0 40 EDAB NS(=O)(=O)N1CCC[C@@H](c2nc(-c3cccc(Cl)c3)no2)C1 585133262 CRNVZJWUMWHMNT-SNVBAGLBSA-N 342.808 1.773 0 40 EDAB COC(=O)C1(Cn2cccc(I)c2=O)CC1 585122998 OREHUGNQWCXDGR-UHFFFAOYSA-N 333.125 1.406 0 40 EDAB NC(=O)CC1(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 585130374 OMLOTBWSQFSSSG-HNNXBMFYSA-N 330.432 1.065 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H](O)[C@H](N(C)Cc3ccc(F)cc3)C2)cn1 257233598 GPWNUFBFHBWJDD-QZTJIDSGSA-N 343.402 1.846 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](n2nccn2)C1 253472890 QJBBMDKFQSVRIJ-NSHDSACASA-N 342.808 1.576 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)c3cccnc3C)CC2)OC[C@]1(C)O 257343430 ZTAIVHVSHUSTOD-RDJZCZTQSA-N 333.432 1.124 0 40 EDAB CCCc1nnsc1C(=O)NCc1nnc2ccc(OCC)nn12 253395007 BMURAAJKVSWIIL-UHFFFAOYSA-N 347.404 1.257 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)Cc1cccc(F)c1 257269955 MSDBQVUIXBSXGY-GOSISDBHSA-N 342.374 1.422 0 40 EDAB Cc1ccc2nc(C(=O)N3CCO[C@@H](c4nc(C)c[nH]4)C3)cn2c1 257333706 YCRLTWIXGJAJIX-CQSZACIVSA-N 325.372 1.888 0 40 EDAB CNc1cc([C@H]2CCCN2C(=O)CCc2ccnn2C)nc(C)n1 257276916 NVQYCNQAMBPPFP-OAHLLOKOSA-N 328.420 1.857 0 40 EDAB CCn1cc(C(=O)N2CCC[C@@H](Cc3cnc(N)cn3)CC2)cn1 257217089 CXKSIDIQDJVKMR-CYBMUJFWSA-N 328.420 1.760 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccnc(Cc2ccc(F)cc2)c1 257282782 OVGXTDZOAIBZQO-OAHLLOKOSA-N 348.399 1.728 0 40 EDAB Cc1cc(OCC(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)c2cccc(C)c2n1 257298562 RMGLZERPDZFHLV-SPYBWZPUSA-N 344.411 1.621 0 40 EDAB C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCCC12CCOCC2 252494507 NXNYKBMWGZDGFY-STQMWFEESA-N 332.466 1.458 0 40 EDAB Cc1nn(C)c2nc([C@@H]3CCCN(C(=O)Cn4ccnc4)C3)ccc12 257334935 YHXNJPCPVPJDFG-CQSZACIVSA-N 338.415 1.879 0 40 EDAB C[C@@]1(C(N)=O)CN(C(=O)c2ccnc(Cc3ccccc3)c2)CCO1 257253693 JZXLPBFFJGKPPI-IBGZPJMESA-N 339.395 1.389 0 40 EDAB COc1ccccc1CC(=O)N1CCO[C@@H](c2nc(C)cc(O)n2)C1 257239313 HOTFMQAHWNPUSJ-OAHLLOKOSA-N 343.383 1.642 0 40 EDAB Cn1cc(S(=O)(=O)N2C[C@@H](N)C3(CCC3)C2)c(C2CCCC2)n1 1615058505 NYXCEJVZMPCIJY-CQSZACIVSA-N 338.477 1.580 0 40 EDAB CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3cocn3)no2)CC1 1615001599 XDXQRURFNJRNLK-UHFFFAOYSA-N 335.364 1.777 0 40 EDAB CCN(C)CCNS(=O)(=O)c1ccc(C2(C)OCCO2)cc1 1615581204 LOWBMIKDPDETPV-UHFFFAOYSA-N 328.434 1.136 0 40 EDAB Cc1cnn(C)c1S(=O)(=O)NC1CCN(CCCC(C)C)CC1 1615586248 RRXUCVJPDOWTSX-UHFFFAOYSA-N 342.509 1.907 0 40 EDAB COc1ccc(COCC(=O)N(C)[C@@H]2CC[S@](=N)(=O)C2)cc1 1615604591 AKXHTHCJXHOTEJ-DMZKTXOQSA-N 326.418 1.489 0 40 EDAB Cn1ncc(C(=O)N[C@H](C(=O)O)c2ccsc2)c1-n1cccc1 1615610963 RUSLYVFFKHPZJM-LBPRGKRZSA-N 330.369 1.828 0 40 EDAB CN(C[C@H]1COCCO1)c1nnnn1CCc1cc(F)cc(F)c1 1616033179 MJCBEYVLYNDNCH-AWEZNQCLSA-N 339.346 1.046 0 40 EDAB C[C@@H](O)CCNc1nc2ccc(Br)cc2c(=O)n1C 1616037254 DSZXPVDDIPDOLH-MRVPVSSYSA-N 326.194 1.879 0 40 EDAB COc1nc(CNC(=O)Cc2ccccc2Cl)nc(N(C)C)n1 575603778 KLHGXYDNRJSRPN-UHFFFAOYSA-N 335.795 1.459 0 40 EDAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCn1nc(C2CC2)ccc1=O 575607011 HVVDCNWERKLGDL-GFCCVEGCSA-N 345.374 1.844 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)COc2ccc(Cl)c(C)c2)[C@@H]1O 585286574 LZSOWDKCHQJRTC-FMKPAKJESA-N 343.807 1.260 0 40 EDAB COCC(=O)N1C[C@@H](OC)[C@@]2(C[C@H](c3cccc(OC)c3)CO2)C1 585288072 OSTLDHDACZZZFM-YXJHDRRASA-N 335.400 1.442 0 40 EDAB O=C(C[C@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@@H]1O)N1CCCC1 585277495 MHZBAROUQQSWCB-WMZOPIPTSA-N 327.428 1.973 0 40 EDAB COCCS(=O)(=O)c1ccc(C(=O)Nc2ncccc2O)cc1 69484536 BVNDOUJTHIFEJO-UHFFFAOYSA-N 336.369 1.460 0 40 EDAB CCN1CCC(NC(=O)CCN2C(=O)COc3ccccc32)CC1 29607431 XJBVKJHHXZNLPM-UHFFFAOYSA-N 331.416 1.403 0 40 EDAB COc1ccc2c(c1)CN(C(=O)[C@H](C)N)C[C@]1(CCCN(C)CC1)O2 72394728 URFXQMZFAOMRKB-IFXJQAMLSA-N 347.459 1.618 0 40 EDAB C[C@H]1CN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)C[C@@H](C)O1 44872017 ONEGTIPQEDMSQL-WNJITKBNSA-N 326.400 1.975 0 40 EDAB Cc1ncnc(N2CCN(c3ncc(Br)cn3)CC2)c1C 1776009419 JYDDNXYCYHJSCL-UHFFFAOYSA-N 349.236 1.973 0 40 EDAB Cc1cc(NC(=O)[C@H](C)n2nc(-c3cccnc3)ccc2=O)on1 585219514 LCZITYXNPRRKDD-NSHDSACASA-N 325.328 1.801 0 40 EDAB COc1nccnc1N(C)CC1CCN(C(=O)c2cc(C)on2)CC1 1775973183 BFWIDEYCKHEFAG-UHFFFAOYSA-N 345.403 1.770 0 40 EDAB O=C1C[C@H](NS(=O)(=O)c2ccccc2F)CN1c1ccccc1 5221827 PPPAZIRMIFJZOW-LBPRGKRZSA-N 334.372 1.910 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3C[C@@H](C)O[C@H](C)C3)n2)o1 12182742 JSAORACYWMJIDC-VXGBXAGGSA-N 346.387 1.030 0 40 EDAB COc1cc(NC(=S)NCC(OC)OC)cc(OC)c1OC 17067723 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CNC(=O)c1ccc(CN(C)C(=O)[C@H](C)OC[C@@H]2CCCCO2)cc1 69420144 GFORHWRTIVEEFU-YOEHRIQHSA-N 348.443 1.979 0 40 EDAB COCCN1CC[C@H](CNC(=O)c2cc(C)n(-c3ccccc3)n2)C1 69520464 OWIMHGDRNLKCCE-MRXNPFEDSA-N 342.443 1.879 0 40 EDAB CCOc1ccc(C(=O)N(CCCN(C)C)CCCN(C)C)cn1 69665461 FYMBDYQZHPRQRA-UHFFFAOYSA-N 336.480 1.826 0 40 EDAB CCn1c(SCC(C)(C)O)nc2cc(S(N)(=O)=O)ccc21 69623951 MKWWXCNDZFBZRA-UHFFFAOYSA-N 329.447 1.567 0 40 EDAB CCN1CCCN(C(=O)Cc2csc(NC(=O)C(C)C)n2)CC1 69666650 DJQOWUXONOHYIG-UHFFFAOYSA-N 338.477 1.834 0 40 EDAB NC(=O)COc1cccc(CN2CCC[C@@H](Cn3cncn3)C2)c1 69662622 NIGDQTYWVOBTOA-OAHLLOKOSA-N 329.404 1.054 0 40 EDAB Cc1nc(CN2CCCN(C(=O)CCc3cnn(C)c3)CC2)cs1 69655901 LUADPUYAJUBBIA-UHFFFAOYSA-N 347.488 1.852 0 40 EDAB O=C(CN1C(=O)C2(CCCC2)N=C1O)N1CCc2ccccc2C1 8519484 YKJKCAXHZSQJLT-UHFFFAOYSA-N 327.384 1.640 0 40 EDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(Cc2cnn(C)c2)C3)n1 306136166 PLEVLFMTZATJFV-OAHLLOKOSA-N 329.404 1.331 0 40 EDAB COCCN1CCN([C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1=O 91830694 INPNAVRNVZNKDG-KRWDZBQOSA-N 345.443 1.281 0 40 EDAB O=c1cc2c(nn1CCS(=O)(=O)Oc1ccccc1)CCCC2 74069420 WUVPAKIAHAZVNQ-UHFFFAOYSA-N 334.397 1.531 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(C[C@H](O)COCc3ccco3)C2)n1 69701329 NBTPVMBQADSYPL-SJORKVTESA-N 348.447 1.778 0 40 EDAB CCN1CCN(CC(=O)N[C@](C)(CC)c2ccccc2)C(=O)C1=O 69737517 VWWKYQMPBUPPSF-GOSISDBHSA-N 331.416 1.119 0 40 EDAB CC(C)N(C)CC(=O)N[C@H]1CCc2nnc(Cc3ccccc3)n2C1 95998216 VDWRHYHEJSPAGL-INIZCTEOSA-N 341.459 1.640 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N[C@@H](C)c2ccccc2Cl)CC1 69843084 XJLPQHHCBVCNKS-KBPBESRZSA-N 339.867 1.516 0 40 EDAB CCNC(=O)CN(CC)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 69895583 KEEGSGQOZTXYNV-CYBMUJFWSA-N 341.477 1.063 0 40 EDAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC[C@@H]1CCOC1 69896656 QYUNSTFJXCQTLA-JTQLQIEISA-N 330.306 1.588 0 40 EDAB CS(=O)(=O)CCCS(=O)(=O)N(Cc1ccc(F)cc1)C1CC1 69950334 BBVICJAGEHAQLZ-UHFFFAOYSA-N 349.449 1.555 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 8884115 SXHJMYNUQIGHBL-NSHDSACASA-N 341.820 1.952 0 40 EDAB C[C@@H](CNC(=O)N1CCCN(CC(F)F)CC1)N1CCOC[C@H]1C 95980799 LVCUAVXPFXCWJM-UONOGXRCSA-N 348.438 1.078 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c(=O)[nH]1 84072648 JWSCNKIJSXLYAS-CQSZACIVSA-N 339.395 1.661 0 40 EDAB O=C(N[C@H]1CCN(c2ncccc2F)C1)N[C@H](CO)c1ccccc1 95995105 SONZYVYVGXJTQR-GOEBONIOSA-N 344.390 1.832 0 40 EDAB O=C([C@@H]1Cc2ccccc2S1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269305 FHNPCUKBDDYNLB-ZOBUZTSGSA-N 332.469 1.761 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC[C@H](c2ccn[nH]2)C1 72270644 BNMITCXNANQOAT-KGLIPLIRSA-N 330.436 1.967 0 40 EDAB Cc1nn(C)c(C)c1CCNc1cc(N2CCC[C@H]2CO)ncn1 72276097 WXPRRTNKDCBTDG-AWEZNQCLSA-N 330.436 1.443 0 40 EDAB Cc1cn2c(n1)[C@H](CNCc1ccc(OCC(N)=O)cc1)CCC2 84257774 CRWWRAZEUBITEN-HNNXBMFYSA-N 328.416 1.723 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@H]1CCN(Cc2nnc(C)o2)C1 84291486 INOPEOYMSXWEHV-ZDUSSCGKSA-N 346.391 1.261 0 40 EDAB Cc1cc(C)n(CCC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)n1 97198165 MJTOUSPKBYTXMD-CQSZACIVSA-N 330.436 1.736 0 40 EDAB CCOc1ccc(NC(=O)[C@H](C)Sc2nc(N)nc(N)n2)cc1 9952788 YCVDCTQPBTZHOG-QMMMGPOBSA-N 334.405 1.554 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CC2)c(Cl)c1 409381243 DWAHTEVECUXMJR-UHFFFAOYSA-N 346.836 1.684 0 40 EDAB CCNC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC 22252460 SZGOFHFPJWYGLU-UHFFFAOYSA-N 330.406 1.239 0 40 EDAB FC(F)(F)c1nc2ccccc2n1CCNc1ccc2nnnn2n1 524734527 OFQGDOMQZCZJAC-UHFFFAOYSA-N 348.292 2.000 0 40 EDAB COC(=O)c1cn([C@H](CC(=O)O)c2ccccc2)cc2c(O)nnc1-2 524733589 XBFGQSZQNPXNLN-CYBMUJFWSA-N 341.323 1.939 0 40 EDAB NC(=O)CCc1cccc([C@@H]2CCCN2C(=O)c2cnccn2)n1 72360487 MKOHRCVOYZUOCY-HNNXBMFYSA-N 325.372 1.267 0 40 EDAB CC(C)NC(=O)COC(=O)c1[nH]nc(C(C)C)c1Br 78985820 FPJIPGZWHXXRFV-UHFFFAOYSA-N 332.198 1.977 0 40 EDAB O=C(O)COc1ccc(S(=O)(=O)N2CCCC2)c2cccnc12 217695447 AVDCCGMNDCERKG-UHFFFAOYSA-N 336.369 1.483 0 40 EDAB CCn1c(N2CCN(C(=S)NCCOC)CC2)nc2ccccc21 35291811 PJOSNBDLIDULNV-UHFFFAOYSA-N 347.488 1.699 0 40 EDAB COCCNc1ccc(C[C@@H]2CCCN(C3CCOCC3)C2)nn1 72387297 DUDFRJKNGBGPLF-HNNXBMFYSA-N 334.464 1.968 0 40 EDAB Cc1c[nH]nc1[C@@H]1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1 72384928 HVOYJSLNHFQSOZ-SNVBAGLBSA-N 327.310 1.950 0 40 EDAB CC(C)(C)[C@@H]1OCCC[C@H]1CNS(=O)(=O)N1CCC[C@@H]1C(=O)O 563071528 FLHGJCNYARGZBM-YNEHKIRRSA-N 348.465 1.211 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)N[C@@H]2CCCOc3ccccc32)C1 78925367 UVCDNRDOBUBWRT-GDBMZVCRSA-N 332.448 1.445 0 40 EDAB Cc1noc(CCCNC(=O)C(=O)Nc2ccc3c(c2)CCC3)n1 77837500 VIXNYOIXGQMLNF-UHFFFAOYSA-N 328.372 1.554 0 40 EDAB Cc1ccccc1NC(=O)NCc1ccnc(N2CCOCC2)n1 224220321 NUJJNLVEDVUICE-UHFFFAOYSA-N 327.388 1.943 0 40 EDAB O=C(CN1C(=O)CCCc2ccccc21)NCC(=O)N1CCCCC1 227169202 LRPXAANSDVUCDQ-UHFFFAOYSA-N 343.427 1.485 0 40 EDAB O=C(c1cnn2ccccc12)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 75170992 QTCIGLVEMFUWFB-OAHLLOKOSA-N 338.411 1.975 0 40 EDAB NC(=O)[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 40512386 MBQGIBDHJVNMAS-SECBINFHSA-N 336.335 1.682 0 40 EDAB CCn1nccc1CN(C)C(=O)Cn1cc2c(n1)c(C)nn2C(C)C 46087590 RLSAACRJFRUGRG-UHFFFAOYSA-N 343.435 1.997 0 40 EDAB O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc[n+]1[O-] 62230096 HTVUTPMODWDURH-KRWDZBQOSA-N 325.412 1.962 0 40 EDAB CS(=O)(=O)NCc1ccc(C(=O)NCC2(c3ccccc3)CC2)o1 84739000 UOXMERUCIDOWEX-UHFFFAOYSA-N 348.424 1.790 0 40 EDAB Cc1cc(N2CCN([C@H](C)C(N)=O)CC2)ncc1Br 195546282 CIPMXKFISDBFJJ-SNVBAGLBSA-N 327.226 1.148 0 40 EDAB COC(=O)[C@](C)(CO)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 585114617 NLJRTPBTQIFNAI-HNNXBMFYSA-N 329.418 1.186 0 40 EDAB CN(Cc1cccc(N(C)C)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 96485265 BBPWJECTZOBTTQ-MRXNPFEDSA-N 339.505 1.856 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)NCc1nc2ccccc2[nH]1 96345017 LJKBRMRTJODYND-UHFFFAOYSA-N 337.383 1.315 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2C(=O)c2ccccn2)N1Cc1ccncc1 96056608 MFJXSORPGWASCI-IRXDYDNUSA-N 336.395 1.882 0 40 EDAB C[C@H](Cc1ccc(Br)cc1)C(=O)NC(C)(CO)CO 97098138 WAPKQVLPGJGZAE-SNVBAGLBSA-N 330.222 1.487 0 40 EDAB CCc1ccc(NC(=O)C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)cc1 96410770 SVNCUIIWSYMQDO-INIZCTEOSA-N 343.431 1.340 0 40 EDAB Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2cc[nH]n2)cs1 96245916 QNAILPHDKVHPJX-OLZOCXBDSA-N 331.401 1.190 0 40 EDAB CCC(C)(C)NC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96266083 QXQJVNTXYNDPMV-UHFFFAOYSA-N 348.428 1.583 0 40 EDAB O=C(NC[C@@H]1Cn2nnc(-c3ccsc3)c2CO1)[C@H]1CCCO1 96199196 JMRGVUUYMUXZSL-DGCLKSJQSA-N 334.401 1.201 0 40 EDAB CC(=O)N1CCO[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1 96157146 DIUDDMZHTZMWKK-INIZCTEOSA-N 338.429 1.089 0 40 EDAB c1csc(CN2CCOC[C@]3(C[C@H](CN4CCCC4)CO3)C2)n1 96052015 FXBZZXVUKMYBTK-WBVHZDCISA-N 337.489 1.846 0 40 EDAB COCCNC(=O)[C@H]1CN(Cc2ccc(C)o2)Cc2ccnn2C1 96188789 GULIZPIOAKUDJT-AWEZNQCLSA-N 332.404 1.179 0 40 EDAB O=C(NCCNC(=O)C12CC3CC(CC(C3)C1)C2)c1cnccn1 96026194 BIWVBPPXKAEUEA-UHFFFAOYSA-N 328.416 1.539 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1 96043066 MVPXQRKOLTYZGE-AEGPPILISA-N 325.372 1.494 0 40 EDAB Cc1ccc(CNC[C@@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)o1 96061012 CYCSETNZKRODQN-CQSZACIVSA-N 328.376 1.269 0 40 EDAB CCN1CCN(c2ccc(C(=O)N(C)Cc3cnccn3)cc2)CC1 96436649 QHWUEXXSNNLSQR-UHFFFAOYSA-N 339.443 1.891 0 40 EDAB Cc1nc(CN2CC[C@@]3(CC(C(=O)NCC4CC4)=NO3)C2)cs1 96225475 BPARPSYOUHGTNP-MRXNPFEDSA-N 334.445 1.699 0 40 EDAB COc1cc(C(=O)NCc2ccncc2Br)nn1C 585134002 AIBUEBMXEQGAFS-UHFFFAOYSA-N 325.166 1.516 0 40 EDAB O=S(=O)(C[C@@H](O)CC(F)(F)F)c1ccc2c(c1)OCCO2 585136508 IRPDMVFYUGCBOR-QMMMGPOBSA-N 326.292 1.545 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)c2nnc3n2CCC3)cc1N(C)C 96472600 HJVRFHGHRSMSAD-GFCCVEGCSA-N 349.460 1.638 0 40 EDAB Cc1cc(S(=O)(=O)Nc2ccnc(S(C)(=O)=O)c2)sc1C 585129123 YMPVTABHUGGDAY-UHFFFAOYSA-N 346.455 1.964 0 40 EDAB Cc1nc([C@@H](C)NC(=O)CN2CCN(c3ccccn3)CC2)cs1 96436404 GKOOGQUPSAMOAT-CYBMUJFWSA-N 345.472 1.846 0 40 EDAB O=C(c1ncccn1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96108982 UGNUMPIAXNQYHN-CRAIPNDOSA-N 340.383 1.177 0 40 EDAB CN(CC(=O)NCc1ccc(Br)cc1)[C@H]1CCC[C@H]1O 245289956 GHHHDWRPTCPFFC-UONOGXRCSA-N 341.249 1.911 0 40 EDAB Cn1cc(C(=O)N2CC3(C[C@@H](Oc4ccccn4)CS3)C2)cn1 248155584 VPQXLFPCPKXZLT-CYBMUJFWSA-N 330.413 1.594 0 40 EDAB CN(C)C[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2ccnn21 248155311 YWGALJNHJSULDD-INIZCTEOSA-N 348.472 1.405 0 40 EDAB Cc1nc(C(=O)N2CC3(C[C@H](Oc4cnccn4)CCO3)C2)cs1 248070348 YHBFTVPVJAMXPA-GFCCVEGCSA-N 346.412 1.694 0 40 EDAB COc1ccccc1CN1Cc2ccnn2[C@H](C(=O)NC(C)C)C1 248031538 XRKNYQPUGOIBGQ-INIZCTEOSA-N 328.416 1.973 0 40 EDAB COC[C@H]1CCS(=O)(=O)C12CN(Cc1ccc(OC)cc1)C2 247889096 MBQMKKLWPTVBKF-CQSZACIVSA-N 325.430 1.331 0 40 EDAB Cn1c(N)c(C(=O)c2cc3c(ccc4ccccc43)o2)c(=O)n(C)c1=O 24980490 GKCGRUCYCLYXNJ-UHFFFAOYSA-N 349.346 1.797 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)c2cnc3ccccc3c2)CCO1 257226975 FNBHUZKRGRICSY-HNNXBMFYSA-N 335.367 1.821 0 40 EDAB COCC(=O)N1CCC(Cc2cnc(N3C[C@H](C)OC3=O)cn2)CC1 257320383 VWOLJZDGWNKHAB-LBPRGKRZSA-N 348.403 1.249 0 40 EDAB CN(C)[C@H]1[C@H](NC(=O)C2CCOCC2)C[C@@H](Oc2ccccc2)[C@@H]1O 257242859 IEMKGLOTJCBFDL-BDXSIMOUSA-N 348.443 1.040 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CN2CC[C@H](O)[C@]3(CCCO3)C2)cc1 257344462 ZXHWNJGEIRCFET-WMZOPIPTSA-N 347.415 1.199 0 40 EDAB O=C(c1c[nH]cn1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257249641 JJEIXFFJTWMIAL-ZDUSSCGKSA-N 325.372 1.389 0 40 EDAB CCOc1ncccc1C(=O)N1CCC[C@H](c2ccnc(O)n2)C1 257308733 TXXBDGMCZWCJNA-LBPRGKRZSA-N 328.372 1.996 0 40 EDAB COc1ccc2c(c1)C[C@H](C(=O)N1CC[S@](=O)C[C@H](C)C1)CO2 277665802 UGBOBYSGVGVREV-XTAIUZINSA-N 337.441 1.473 0 40 EDAB CC(C)c1nnc(COC2CN(C(=O)[C@H]3CCCN3C3CC3)C2)o1 606445844 WSDHPUAVIZOEGI-CQSZACIVSA-N 334.420 1.547 0 40 EDAB Cn1nccc1S(=O)(=O)NC(=O)C=C1C2CC3CC(C2)CC1C3 1615614311 DTZJOMUWJYHORI-UHFFFAOYSA-N 335.429 1.608 0 40 EDAB CC[C@@H](O)Cn1cc(CNC(=O)C2(c3ccc(F)cc3)CCC2)nn1 1616042407 WOIMAOWEWZMRKB-MRXNPFEDSA-N 346.406 1.926 0 40 EDAB C[C@@H](C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1)n1cccn1 390830682 MQNBTGKXKJDJGC-GOEBONIOSA-N 347.440 1.833 0 40 EDAB Cc1cc(C)n([C@H]2CCCN([C@@H]3CCCCN(CC(=O)O)C3=O)C2)n1 643874723 BBKKPXNPQVOOEA-JKSUJKDBSA-N 348.447 1.603 0 40 EDAB Nc1nc(=NCCCn2cc(Br)cn2)[nH]c2ccccc12 566700331 XQAKOJUWMWPVNL-UHFFFAOYSA-N 347.220 2.095 0 40 EDAB Cc1ccc(C)c(OC[C@@]2(O)CN(C3CCOCC3)CC[C@@H]2O)c1C 585287189 KIXLFFBEHVSRPU-ICSRJNTNSA-N 349.471 1.967 0 40 EDAB O=C(O)Cc1csc(NC(=O)N2CCN(c3ccccn3)CC2)n1 584906272 SKJGJMZSTNTTQN-UHFFFAOYSA-N 347.400 1.519 0 40 EDAB COCCN1C[C@]2(COCCN(Cc3ccc(OC)cc3)C2)CC1=O 585105010 YOZMXAPATGJVJS-IBGZPJMESA-N 348.443 1.393 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3nc4ccccc4n3C)CCO2)c1 69489527 HTRIHVLWJLXGSY-OAHLLOKOSA-N 325.416 1.979 0 40 EDAB CC(C)(C)NC(=O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 36708258 LCWNIALVUXYUPK-UHFFFAOYSA-N 332.452 1.707 0 40 EDAB Cc1csc([C@H]2CCCCN2C(=O)CN2CCC(=O)NC2=O)n1 72275559 XSYQZLXRALLOSJ-LLVKDONJSA-N 336.417 1.447 0 40 EDAB Cc1ccc(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)cc1 52750534 XZZOURMIZMXZPH-INIZCTEOSA-N 345.443 1.000 0 40 EDAB Cc1cc(N2C[C@H]3CN(C(=O)c4ccncc4F)C[C@H]3C2)ncn1 1065983904 RYCUXPSQVHJQPB-BETUJISGSA-N 327.363 1.528 0 40 EDAB O=C(c1ccc(NC2CC2)nc1)N1CCC(N2CCNC2=O)CC1 57231543 VOOAVJAEWJNVGK-UHFFFAOYSA-N 329.404 1.286 0 40 EDAB COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H](C)NS(C)(=O)=O)C2)cc1 95960688 YCKDYGAVUOHPSO-OUCADQQQSA-N 340.445 1.337 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)s1 96099709 XSWACDNOERHPHM-CYBMUJFWSA-N 344.502 1.530 0 40 EDAB Cc1n[nH]c([C@H]2CN([C@H](C(=O)NC3CC3)c3ccccc3)CCO2)n1 76048449 DFYAITDINWDKHC-CVEARBPZSA-N 341.415 1.506 0 40 EDAB Cc1ccccc1OCCC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 89696717 LRXGPAPIHZKBSV-CQSZACIVSA-N 340.445 1.304 0 40 EDAB COc1cccc(C(=O)N2CCN(C[C@@H](O)C3CC3)CC2)c1OC 85436610 RQPGCSDJSXQEFJ-OAHLLOKOSA-N 334.416 1.233 0 40 EDAB CCOC(=O)C1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccco1 5398810 HZHNPFPNYSMCEL-ZETCQYMHSA-N 335.341 1.283 0 40 EDAB CN1C(=O)NC2(CCN(C(=O)c3c(F)cccc3Cl)CC2)C1=O 11612493 VHIZUBULDGRBBS-UHFFFAOYSA-N 339.754 1.636 0 40 EDAB Cc1ncc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N(C)C)c(C)n1 12203849 BMFGHLHYMUPICH-OAHLLOKOSA-N 342.399 1.855 0 40 EDAB Cc1cnc(-c2nc(O)c3c(n2)CN(C(=O)[C@@H]2CCCO2)CC3)cn1 13227849 WTTVJUNKZGQSPV-AWEZNQCLSA-N 341.371 1.011 0 40 EDAB O=C(c1ncc2c(F)cccn12)N1CC[C@@H](CN2CCOCC2)C1 528664352 VKUCTNBFNKYUSM-ZDUSSCGKSA-N 332.379 1.268 0 40 EDAB Cc1nn(C)c(C)c1C(=O)N1CCN(C(=O)c2ccccn2)CC1 30448112 YEHOXDICZVNIBY-UHFFFAOYSA-N 327.388 1.030 0 40 EDAB COCc1nsc(N2CCN(c3ccc(C4CC4)nn3)CC2)n1 1888843551 UNQOBPLCMFXZRE-UHFFFAOYSA-N 332.433 1.679 0 40 EDAB O=C1NCCC[C@@H]1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 1888853221 USWWJKPTRQAQGX-LBPRGKRZSA-N 328.338 1.501 0 40 EDAB Cc1noc(CN2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)n1 1888864463 YEKPJLCENVPULX-OKILXGFUSA-N 340.431 1.533 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCN(c2cnsn2)CC1 1889138797 CJZAEXDTGLBXAM-UHFFFAOYSA-N 332.385 1.272 0 40 EDAB COCCCN1C[C@@]2(CCCCN2C(=O)c2csnn2)CC1=O 1614930287 YTGMHBWRDTUHJV-OAHLLOKOSA-N 338.433 1.172 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 1565555577 DFXRIZUIVAUMSA-SJORKVTESA-N 346.427 1.785 0 40 EDAB CC(C)OC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccccc1=O)C2 1565546880 BBNXQWZKCJDILZ-APWZRJJASA-N 348.443 1.671 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 1565549404 WMQMADYBUSMTDK-MFKRADDTSA-N 348.374 1.250 0 40 EDAB CCCNC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2C)c1=O 4479305 FSUMIMAMNWWWIA-UHFFFAOYSA-N 339.399 1.725 0 40 EDAB CC[C@@H](C(=O)OC)n1cnc2c(cnn2-c2ccc(F)cc2)c1=O 5139414 VSOMEIPPCUDMJY-ZDUSSCGKSA-N 330.319 1.845 0 40 EDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1S 5272453 MQZBJIOZZWOLLH-UHFFFAOYSA-N 348.405 1.759 0 40 EDAB CCOc1ncccc1CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 30307934 HIHLEODNLWHGRF-MLGOLLRUSA-N 335.429 1.551 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1F 30584000 BNZPJZOJLNZLRE-HBWSCVEGSA-N 340.420 1.769 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)Cn3cccn3)CC2=O)cc1F 31399427 UYNKSFAHYHABPU-KGLIPLIRSA-N 344.390 1.888 0 40 EDAB O=C(Cn1ccccc1=O)NC[C@H](c1ccco1)N1CCCCC1 40460880 WPYXWPKXKRMAIC-OAHLLOKOSA-N 329.400 1.785 0 40 EDAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)NC(=O)[C@@H]32)cc1 100849214 IXXCHZGVZACCTI-AEJSXWLSSA-N 348.405 1.324 0 40 EDAB Cc1nc(C(=O)NC[C@H](C)N2CCOCC2)nn1-c1ccc(F)cc1 40509850 GCRFTAJEIZLWSU-LBPRGKRZSA-N 347.394 1.165 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CCCN(c2ccc3nncn3n2)C1 31818469 NCXPKASAOPFRSW-AWEZNQCLSA-N 337.387 1.052 0 40 EDAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 31997644 FOWQAULZXKGUSK-CQSZACIVSA-N 335.429 1.271 0 40 EDAB O=C(Cn1[nH]cc2c(=O)ncnc1-2)Nc1ccc(Br)cc1 101004679 ONGNBMXMNNQSCZ-UHFFFAOYSA-N 348.160 1.472 0 40 EDAB CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 51589580 ANAPYSOBLDFIFR-UHFFFAOYSA-N 333.432 1.321 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N[C@@H]1CCc2ccccc21 102261969 GIIICYREEBCOGI-OWCLPIDISA-N 326.396 1.965 0 40 EDAB COc1ccccc1/C=C/[C@H]1NC(=O)c2ccccc2N1CC(N)=O 32907238 KFFGVSZMEPIQLW-ZGKFYVQTSA-N 337.379 1.770 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)ccc1=O 84110688 SWJWJHJBKBMGHX-AWEZNQCLSA-N 344.415 1.546 0 40 EDAB Cc1cc(C(=O)N(CC(N)=O)C2CCCC2)c2c(C)nn(C)c2n1 47236722 XWTBIVSFUTUCKF-UHFFFAOYSA-N 329.404 1.455 0 40 EDAB O=C1[C@@H](Nc2ccc3nnnn3n2)CCCN1c1ccccc1Cl 78876055 MXNPZQJFPZPHIP-NSHDSACASA-N 343.778 1.780 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)NC)cc2)cc1 1712805 MSINKYSYGLVROA-UHFFFAOYSA-N 332.381 1.239 0 40 EDAB Cc1cc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)ncc1Br 79015661 YDEFJIXPKTZUFJ-VIFPVBQESA-N 347.234 1.916 0 40 EDAB Cc1cc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)nc(C(C)C)n1 42112987 CVGZEBMMIBLPIT-UHFFFAOYSA-N 341.459 1.929 0 40 EDAB CCOC(=O)NC(=O)CSc1nnnn1-c1ccc(C)c(C)c1 8129541 LRPJHQZBOYWRJY-UHFFFAOYSA-N 335.389 1.644 0 40 EDAB Cn1ccnc1[C@H](NC(=O)c1ccc(=O)n(C)n1)c1cccc(F)c1 23779519 OEESQIZDGMKFJG-OAHLLOKOSA-N 341.346 1.172 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1=O 24183790 VZWUVIGWELFYBR-IINYFYTJSA-N 347.337 1.508 0 40 EDAB Cc1nc2ccccc2n1CCCNC(=O)N1CCC(C(N)=O)CC1 42951719 SADSOLTYKXSQQH-UHFFFAOYSA-N 343.431 1.642 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCCCNC1=O)c1ccc(-n2ccnc2)cc1 43148072 QEUZVKYWAAADGI-XJKSGUPXSA-N 341.415 1.901 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 25049749 LYWGTCRWPUGTDL-OAHLLOKOSA-N 326.400 1.970 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 106830288 KDHDHMLJNFLBRL-CHWSQXEVSA-N 334.395 1.169 0 40 EDAB CNC(=O)NC(=O)CNc1cc(C(=O)NCC(F)(F)F)ccc1C 55860264 XEPSWVPGTXHLSY-UHFFFAOYSA-N 346.309 1.155 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)CN2CCCc3ccccc32)C1 25406027 DFSSGZAZVLLNPU-GOSISDBHSA-N 345.487 1.912 0 40 EDAB O=C(Cn1cnc2ccc(F)cc2c1=O)NCCCN1CCCCC1 43804901 IFHLZMPLVWCOOM-UHFFFAOYSA-N 346.406 1.528 0 40 EDAB Cc1c(C(=O)O)cccc1S(=O)(=O)NCCN(C)C1CCCC1 107886037 ZKVCUUAWEBNVEH-UHFFFAOYSA-N 340.445 1.846 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2ccccc2)cc1 23986083 NXTCAXVQJDFKGJ-UHFFFAOYSA-N 348.424 1.979 0 40 EDAB CC(C)CCO[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 58023623 CXNWVTURBCPMQO-ZDUSSCGKSA-N 342.461 1.444 0 40 EDAB C[C@@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccc1 12617597 BHPWLGQQSHYLFI-GFCCVEGCSA-N 325.372 1.398 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)C1 12623579 ZZTZHLTWRONNBE-STQMWFEESA-N 342.436 1.951 0 40 EDAB Cc1[nH]ncc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(-n2cncn2)cc1 97233899 CAPWGGPLBMOOKQ-YPMHNXCESA-N 339.403 1.977 0 40 EDAB CCCCNC(=O)[C@H]1[C@@H]2C(=O)N(c3cc(C)on3)C[C@@]23C=C[C@H]1O3 108234134 HAIBJUHUAJTFBZ-GDLHICMESA-N 331.372 1.186 0 40 EDAB Cc1cc(C)cc(OC[C@@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 58144660 DELTWVSGUIIWAO-KBXCAEBGSA-N 332.400 1.764 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)C(C)(C)c1ccccc1 58196257 MLZLXZHBGAAVMX-UHFFFAOYSA-N 326.462 1.752 0 40 EDAB CCN(C(C)=O)c1nc(CN2CCC(N(C)C(C)=O)CC2)cs1 58132209 TYLJUVYETZEZAP-UHFFFAOYSA-N 338.477 1.959 0 40 EDAB COc1cccc(C(=O)NCc2nnc3n2CCCCC3)c1OC 44890104 BDGSIYVTSLRGCT-UHFFFAOYSA-N 330.388 1.952 0 40 EDAB COc1ccc([C@@H](NS(=O)(=O)N2CCOCC2)C2CC2)cc1 44896246 JINSNSXVQXMTNK-HNNXBMFYSA-N 326.418 1.313 0 40 EDAB COc1ccc(OC)c([C@H](C)NC(=O)N2CCC(C(N)=O)CC2)c1 48232062 CFMSGQXSMFSDQW-NSHDSACASA-N 335.404 1.672 0 40 EDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 10217277 NMTXYTAMIKNRMB-JTQLQIEISA-N 338.307 1.224 0 40 EDAB Cc1nc(C(=O)N[C@@H](C)c2nncn2C)nn1-c1ccccc1Cl 58257625 DDWUEAAJEXTUQY-VIFPVBQESA-N 345.794 1.849 0 40 EDAB COCCN(Cc1cccs1)C(=O)N[C@H]1CCCCNC1=O 44968188 IBDXJBFMFYJDFM-ZDUSSCGKSA-N 325.434 1.575 0 40 EDAB Cc1cccc(-c2nc(CS(=O)(=O)CC(=O)N3CCCC3)no2)c1 44938857 CHXDTKVUUNFBGM-UHFFFAOYSA-N 349.412 1.582 0 40 EDAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccc(Cn2ccccc2=O)o1 44941755 UNVSRFOAZUIDTO-JKSUJKDBSA-N 341.411 1.846 0 40 EDAB COc1ccccc1NC(=O)[C@@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101419965 DDLBOUZGHOUUTE-VCSATFKPSA-N 340.379 1.829 0 40 EDAB Cc1cc(C(=O)NC2CCN(CC(=O)N3CCCCC3)CC2)no1 58342310 KOFILIIMDWKJLE-UHFFFAOYSA-N 334.420 1.190 0 40 EDAB CCN(CC)C(=O)Cn1c(-c2ccc(OC)c(OC)c2)noc1=O 58343418 PSJNJNCJSUSZOV-UHFFFAOYSA-N 335.360 1.389 0 40 EDAB CC(C)(CNC(=O)N[C@@H]1CCOc2ccccc21)N1CCOCC1 45113612 IHXHIZVGMBACDE-OAHLLOKOSA-N 333.432 1.920 0 40 EDAB Cc1nc2ccccc2nc1CN1C(=O)C(=O)N(CC(C)C)C1=O 58827911 DLHRUHZEFIWESE-UHFFFAOYSA-N 326.356 1.885 0 40 EDAB O=C(COC1CCCC1)Nc1cccc(CN2C(=O)CNC2=O)c1 48365353 OBIDLGQBCUXZIN-UHFFFAOYSA-N 331.372 1.636 0 40 EDAB COC(=O)C(C)(C)NC(=O)c1nnn(-c2cccc(Cl)c2)c1C 55279164 SAHIYBQWMBIAFX-UHFFFAOYSA-N 336.779 1.911 0 40 EDAB NC(=O)C1CCN(CC(=O)Nc2ccnn2Cc2ccccc2)CC1 28927662 VOSYIXBPMFAGCY-UHFFFAOYSA-N 341.415 1.067 0 40 EDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCC3=CCCCC3)cnc21 29208815 PLKUDOSYWMLILL-UHFFFAOYSA-N 342.399 1.725 0 40 EDAB Cc1csc(=O)n1CCC(=O)N[C@H](C)c1nnc2n1CCCCC2 29898223 BNBGZBCELWFJJN-GFCCVEGCSA-N 349.460 1.804 0 40 EDAB CC(C)CN1C[C@@H](C(=O)Nc2ccc(-n3cncn3)nc2)CC1=O 29891874 TZIQAHHEJJVXMN-LBPRGKRZSA-N 328.376 1.105 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(-n3cncn3)c(C)c2)C1 97051859 FUACBKPWQCVXLQ-HNNXBMFYSA-N 349.460 1.089 0 40 EDAB NC(=O)NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1 3490324 OGUWPEXDHSIUAL-UHFFFAOYSA-N 328.324 1.617 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N[C@@H](CO)[C@@H](C)c2ccccc2)c1 97021192 JVEXOONDQJYSKX-ZFWWWQNUSA-N 337.445 1.907 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1 13003095 OTGSWFXIMWPNMW-AWEZNQCLSA-N 328.434 1.476 0 40 EDAB NS(=O)(=O)c1ccc(CCNCc2cccc3c2OCO3)cc1 63201881 DMZCUBJSGMSGFN-UHFFFAOYSA-N 334.397 1.395 0 40 EDAB CCN1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC)CC1 64467983 HCJGUVQYIFHWNP-MRXNPFEDSA-N 333.432 1.554 0 40 EDAB COc1ccc([C@H](Nc2ccc3nnnn3n2)c2nccn2C)cc1 9115081 WXSDUEQRJSUVAY-HNNXBMFYSA-N 336.359 1.463 0 40 EDAB COC[C@H](C)NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 13942050 UAWUBHSLMFEYHI-KBPBESRZSA-N 342.461 1.609 0 40 EDAB CC(C)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 65488205 JXBANHLCCPEZSH-UHFFFAOYSA-N 346.399 1.844 0 40 EDAB COCCNC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 65566179 BHCDYAHPCFNAAS-UHFFFAOYSA-N 332.257 1.801 0 40 EDAB Cc1cccc([C@H](CC(=O)N(CC(N)=O)C2CCCC2)NC(N)=O)c1 65531585 IPONPBBJVIECKI-HNNXBMFYSA-N 346.431 1.351 0 40 EDAB COCCn1nc(C)c(CNc2cc(=O)n3ccccc3n2)c1C 65512312 OUUWUDQEGNICOQ-UHFFFAOYSA-N 327.388 1.766 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(Cc3nc4ccccc4n3C)C2)C1=O 84597421 YWVVCDXIBPZIQX-GOSISDBHSA-N 341.415 1.478 0 40 EDAB C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cnn(C)c1 72295369 NQPBRIGTNPCIDN-CYBMUJFWSA-N 326.400 1.967 0 40 EDAB CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)CC1 65622321 OFBUXWUHXGJXDC-OAHLLOKOSA-N 343.493 1.298 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1cccc(N2CCCCS2(=O)=O)c1 5439168 KXHMCJVEYAXDFI-HNNXBMFYSA-N 338.429 1.525 0 40 EDAB Cc1cc(C)n2nc(NC(=O)N[C@@H](C)C(=O)N3CCCCC3)nc2n1 72275172 UDMOVOZYMPCADX-LBPRGKRZSA-N 345.407 1.264 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)OCc1ccccc1C(F)(F)F 6607340 PLHGUIXESQKOTF-UHFFFAOYSA-N 328.246 1.299 0 40 EDAB CCc1noc(CCCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 72269529 YLFYGODHHWYLFL-KBPBESRZSA-N 336.436 1.012 0 40 EDAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2cc(C)no2)cc1 7226800 SMZKKBLCGJOTDZ-UHFFFAOYSA-N 330.340 1.701 0 40 EDAB CC1CCN(c2ccc(C(=O)Nc3cnn(CC(N)=O)c3)cn2)CC1 72288352 KRFSQCNZMARFBB-UHFFFAOYSA-N 342.403 1.252 0 40 EDAB Cc1[nH]nc(C(=O)N2CCN3CCCC[C@H]3C2)c1Br 71839716 OGDSNWUGTYHTLT-JTQLQIEISA-N 327.226 1.791 0 40 EDAB Cn1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)c(-c2cccnc2)n1 71866641 QAZBKLKJYIYUHM-OAHLLOKOSA-N 336.399 1.983 0 40 EDAB Cc1cccn2c(=O)cc(CN3CCCC[C@@H]3Cn3cncn3)nc12 71876198 BRSWECQQZVWBED-MRXNPFEDSA-N 338.415 1.649 0 40 EDAB Cc1ncsc1C(=O)N1CCCN(Cc2ccn(C)c(=O)c2)CC1 71824853 KLIWUCFFRDPRAM-UHFFFAOYSA-N 346.456 1.498 0 40 EDAB Cc1cccc2nc(C(=O)N3CCC[C@H](N4CCNC4=O)C3)cn12 71841754 PPLURJZADQFZMX-ZDUSSCGKSA-N 327.388 1.273 0 40 EDAB Cc1cccc(N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)c1C 71843898 RSMFDVIMRBYJLK-UHFFFAOYSA-N 340.427 1.966 0 40 EDAB Cc1ccc(NC2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)nn1 70020907 NAIHDGUSDUYWGQ-UHFFFAOYSA-N 340.431 1.963 0 40 EDAB c1ccc(-n2nnnc2CCCN2CCC[C@H]2Cn2cncn2)cc1 70040878 YCSOPKPXKUSRGW-INIZCTEOSA-N 338.419 1.351 0 40 EDAB C[C@@H](CNC(=O)c1ccnc(OC(C)(C)C)c1)N1CCN(C)CC1 94135672 DOEDWLXGCIAPFD-AWEZNQCLSA-N 334.464 1.625 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1nn(-c3ccccc3)nc1C)C2 69489588 SHDUOFZDWMYHHE-UHFFFAOYSA-N 337.387 1.386 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@@H]3Cc4ccccc4O3)CCO2)n1 83829838 RUSGHDQJLWKXOO-UONOGXRCSA-N 328.372 1.271 0 40 EDAB CCNC(=O)c1ccc(N2CCC[C@H](c3nncn3CC)C2)nn1 91627186 ZHUAQQMJVHIBON-LBPRGKRZSA-N 329.408 1.222 0 40 EDAB CC(C)C(=O)NCCNC(=O)CCC(=O)N1CCOc2ccccc21 69558999 SARVAZHIPKLZGS-UHFFFAOYSA-N 347.415 1.081 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)Cc3csc(C)n3)CC2)n1 69652578 VRGSMXNSEUABGJ-UHFFFAOYSA-N 347.444 1.450 0 40 EDAB C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1)n1ccnc1 69619346 DGGDRAPKBNMKLY-DOTOQJQBSA-N 340.427 1.794 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2c(F)cccc2F)CC1 69739895 GTTBTYUINXERPO-LBPRGKRZSA-N 328.359 1.120 0 40 EDAB CS(=O)(=O)NCCC(=O)Nc1ccc(F)c(-n2cccc2)c1 69895107 WBYPLVFCHKEANZ-UHFFFAOYSA-N 325.365 1.494 0 40 EDAB COCCN1CCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 69818273 FFXCKHFEIIFOTI-GFCCVEGCSA-N 326.828 1.326 0 40 EDAB OCCn1cc(CN2CCN(CCOc3ccc(F)cc3)CC2)cn1 69950367 DEJGMTCKSKLFAZ-UHFFFAOYSA-N 348.422 1.211 0 40 EDAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 69971990 DRHJDMNEWQHXEB-HZPDHXFCSA-N 335.492 1.872 0 40 EDAB CCOC(=O)C1CCN(CC(=O)Nc2cccc3nsnc23)CC1 19078497 PYRIRCSOKAEUCP-UHFFFAOYSA-N 348.428 1.905 0 40 EDAB COC(=O)c1ccc(=O)n(CC(=O)NCCc2ccc(F)cc2)c1 23055049 SDQCIFHTKAHKDL-UHFFFAOYSA-N 332.331 1.133 0 40 EDAB CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229558 VJVMQBXMGCSVFL-ZDUSSCGKSA-N 326.418 1.293 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCc3nnc(C)n3C2)c2c(C)noc2n1 97198857 FPMSVOFNLCXSOA-LLVKDONJSA-N 326.360 1.484 0 40 EDAB CCS(=O)(=O)c1cccc(CC(=O)N2[C@H](C)CN(C)C[C@H]2C)c1 97141702 XGDROPMCNYRHML-ZIAGYGMSSA-N 338.473 1.574 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 72108397 LVCOAMAFWKUHKE-UHFFFAOYSA-N 336.335 1.558 0 40 EDAB CO[C@@H]1CCCCC[C@@H]1NCc1cnc(N2CCN(C)CC2)nc1 95416704 PSQUBRRCKPDNPH-DLBZAZTESA-N 333.480 1.666 0 40 EDAB Cc1nc(C)n(CC(=O)NCc2cccc(N3CCCC3=O)c2)n1 95417671 BKXMNVQOITXEDE-UHFFFAOYSA-N 327.388 1.338 0 40 EDAB Cc1oc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1S(N)(=O)=O 88280078 MGWRDHGHZOZNHY-AWEZNQCLSA-N 348.424 1.940 0 40 EDAB O=C([C@H](O)c1ccccc1)N1CCC(c2ccnn2CCO)CC1 95986013 BOXKWMZHSPWBTI-QGZVFWFLSA-N 329.400 1.315 0 40 EDAB CCOC(=O)[C@@H](NCC(=O)Nc1cccc(C(=O)N(C)C)c1)C(C)C 95995934 FSOFBMKONPZXKR-INIZCTEOSA-N 349.431 1.504 0 40 EDAB C[C@@H](COc1ccccc1)NC(=O)CN(C)c1ncnc2[nH]cnc12 95954327 QGVBZTOAVKISJR-LBPRGKRZSA-N 340.387 1.373 0 40 EDAB COc1cc(CNc2cnn(CCN3CCOCC3)c2)cc(OC)c1 89423958 DOUHLGFWIIEFOH-UHFFFAOYSA-N 346.431 1.845 0 40 EDAB Cc1nccn1CCCC(=O)N1CCCN(c2cccnn2)CC1 75129183 IDSJFSYBXGCSDC-UHFFFAOYSA-N 328.420 1.501 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NC[C@H](c2cccs2)N(C)C)C1 89954641 UCBDSRICVPGEQG-UONOGXRCSA-N 338.477 1.661 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCN(C[C@@H]2CCCO2)CC1 23675308 UDDCMQVRLRSALK-AWEZNQCLSA-N 326.400 1.567 0 40 EDAB CCc1cc(N2Cc3cnn(CCO)c3C2)nc(N2CCCC2)n1 67540507 IKXUGXZHTBKQOU-UHFFFAOYSA-N 328.420 1.348 0 40 EDAB CC(C)(CNC(=O)c1cnccc1C(F)(F)F)N1CCOCC1 515069508 YROFQAIMHAGUDF-UHFFFAOYSA-N 331.338 1.941 0 40 EDAB Cc1nn(C)cc1CC(=O)N1CCC[C@H](Oc2ncccc2F)C1 516539490 MUZYYVZUGMBXDZ-AWEZNQCLSA-N 332.379 1.875 0 40 EDAB O=C(c1cnn2c(=O)cc[nH]c12)N1CCC[C@H](Nc2ccccc2)C1 550201253 NZYMVFDIXNVBNC-AWEZNQCLSA-N 337.383 1.739 0 40 EDAB Cc1ncc2c(n1)C1(CCN(Cc3cnn(C)c3)CC1)CN(C)C2=O 306138621 SCMCULBKRXHCSD-UHFFFAOYSA-N 340.431 1.138 0 40 EDAB CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79393265 SUBJWJLUZAOIBL-CVEARBPZSA-N 333.432 1.839 0 40 EDAB O=C(NC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CC(=O)N(C2CC2)C1 558577271 RCIXNKQUNMNMQI-CYBMUJFWSA-N 346.402 1.959 0 40 EDAB CS(=O)(=O)N1CCC[C@H](c2cnc(Nc3nccs3)cn2)C1 72361980 HGNSJMITUZTJPA-JTQLQIEISA-N 339.446 1.816 0 40 EDAB CC[C@@H](C)Oc1cc(C(=O)NCC(=O)N2CCN(CC)CC2)ccn1 560745199 MWGYSAFSYISLNE-CQSZACIVSA-N 348.447 1.153 0 40 EDAB O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1cnccn1 78918217 KVMMABWCQTUEAV-MRXNPFEDSA-N 326.400 1.150 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2ccccc2Br)C1=O 33666699 WOZIJCWMQNIGLS-UXBLZVDNSA-N 339.145 1.515 0 40 EDAB O=C(NCc1nc(C2CC2)no1)C(=O)Nc1ccc(Cl)cc1F 77821526 GDDWZNPVMZHRIV-UHFFFAOYSA-N 338.726 1.994 0 40 EDAB CCn1nc(C)c(NC(=O)COc2ccccc2OC)c1C(N)=O 72265454 WURMUAQYFVEADL-UHFFFAOYSA-N 332.360 1.336 0 40 EDAB Cc1nc(Nc2ncccn2)cc([C@H]2CCCCN2C(CO)CO)n1 72384855 PYQQXWMTTSQEEV-OAHLLOKOSA-N 344.419 1.199 0 40 EDAB Cc1nc2cc(C(=O)N3C[C@@H]4CN(c5ncccn5)C[C@@H]4C3)cnc2[nH]1 1066034363 RWRCORUAIDFENP-OKILXGFUSA-N 349.398 1.265 0 40 EDAB CCS(=O)(=O)C1CN(Cc2ccc(Cl)cc2-n2cncn2)C1 568372766 OKVVIHCQVHORCJ-UHFFFAOYSA-N 340.836 1.540 0 40 EDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1OC 71980204 LTISASKVCCOWBS-AWEZNQCLSA-N 348.399 1.433 0 40 EDAB C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCN(C)c1ccccc1 187257956 ZTOCNRIGZDNYEG-INIZCTEOSA-N 348.491 1.609 0 40 EDAB COC(=O)CN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(C)C 32925674 VVQUMIBLBQFPAN-CYBMUJFWSA-N 348.399 1.458 0 40 EDAB Cc1ccc(-c2snnc2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 72240021 WTQDHNBLYSZHHV-NSHDSACASA-N 337.426 1.430 0 40 EDAB COC[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 70655691 LTOGUKNODJEEBZ-RDTXWAMCSA-N 334.416 1.170 0 40 EDAB Cc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2N)cc1 139183887 GFGNMAXVZQXZRE-UHFFFAOYSA-N 326.399 1.057 0 40 EDAB Cc1cccc(OCc2cn(CC(=O)NC[C@@H]3CCCO3)nn2)c1 227167482 UOQGWGCMEOGACD-INIZCTEOSA-N 330.388 1.461 0 40 EDAB COc1cccc(OCCN2CCN(Cc3ccnc(N)c3)CC2)c1 193403435 XXUGAKPMSKFRRO-UHFFFAOYSA-N 342.443 1.869 0 40 EDAB CN1C(=O)CC[C@@H](NC(=O)NCC2CC(c3ccccc3)C2)C1=O 572754460 FOPLJHUOUKWPPA-PESDSKBTSA-N 329.400 1.627 0 40 EDAB Cc1cc(C)n(CCNC(=O)c2cc(NC(=O)C3CC3)n(C)n2)n1 46089087 GQQOWQWDTXJVCF-UHFFFAOYSA-N 330.392 1.012 0 40 EDAB CCCC[C@H](CC)CNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 224072998 POCHJJIKFFERKH-AWEZNQCLSA-N 347.525 1.837 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NC[C@H](C)c2ccccc2)s1 225138060 LWZYHDYDAKTMBU-VIFPVBQESA-N 340.430 1.579 0 40 EDAB Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc(C)c(Cl)s1)CC2 191925990 LVNSZIPQDPMZNZ-VIFPVBQESA-N 346.865 1.903 0 40 EDAB CC1CCC(CC(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 96406358 MSDBXFLQQVXKLP-UHFFFAOYSA-N 344.521 1.828 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](C)n2c(=O)sc3ccccc32)CC1 96455288 MGBQXAGXHHTOHD-LLVKDONJSA-N 333.413 1.315 0 40 EDAB Cc1noc(CCNC(=O)Nc2ccnn2Cc2ccccn2)n1 96485749 OQIVOKJZKJNDGN-UHFFFAOYSA-N 327.348 1.382 0 40 EDAB O=C(NCc1ccco1)[C@H]1COC[C@H]2CN(Cc3nccs3)C[C@H]21 96040755 OFDAGXMKRRHHQZ-YUELXQCFSA-N 347.440 1.747 0 40 EDAB COc1cccc(C(=O)N2CC[C@H](N3CCCC3)C[C@@H]2C(=O)O)c1 96100115 REZYAJDSJYCAKZ-GOEBONIOSA-N 332.400 1.849 0 40 EDAB Cc1nc(C)c(C)c(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1 95416538 CWVGNQGMXZBALB-UHFFFAOYSA-N 325.416 1.827 0 40 EDAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCC(C)C)C2=O)cc1 96221075 DEJVNVOOGDPDAM-HNNXBMFYSA-N 347.415 1.320 0 40 EDAB biogenic CCc1noc(C)c1Cn1nnc(CN(C)C(=O)c2ccccc2)n1 97227684 ZDPYQZZLTVMNEX-UHFFFAOYSA-N 340.387 1.852 0 40 EDAB COC[C@@H]1CC2(CCN(S(=O)(=O)c3cccnc3)CC2)CO1 96105798 GVSMPXHCBDLGHM-ZDUSSCGKSA-N 326.418 1.288 0 40 EDAB CCS(=O)(=O)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 96229040 ILAHUFGVPYAWCH-INIZCTEOSA-N 339.461 1.350 0 40 EDAB CCOC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2nccn2C1 96187816 PJBMJPIEUDZGOA-CYBMUJFWSA-N 343.383 1.921 0 40 EDAB C[C@@H]1C[C@H](NC(=O)CNCC(F)(F)F)C(=O)N1c1ccccc1 96426786 DPYZVCNFMAOSSA-PWSUYJOCSA-N 329.322 1.449 0 40 EDAB O=C(NCCO)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 96037999 KXHIYBTWSDHRIW-UHFFFAOYSA-N 347.378 1.909 0 40 EDAB COCC(=O)N1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 96160057 BGPAQGOZDJZHOU-MAUKXSAKSA-N 334.416 1.642 0 40 EDAB CCc1c[nH]c(S(=O)(=O)CC(=O)N[C@H](C)c2cccs2)n1 96474358 CNMAASNEYIEEQQ-SECBINFHSA-N 327.431 1.685 0 40 EDAB C[C@H]1CN(C2CCOCC2)CCN1S(=O)(=O)c1cccnc1F 585115915 ZKGSVFITIMJCHP-LBPRGKRZSA-N 343.424 1.095 0 40 EDAB COCc1ccccc1S(=O)(=O)N1[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]1C 585129678 RRBPBIHMGMGKDA-FRRDWIJNSA-N 340.445 1.461 0 40 EDAB O=C(Cc1ccsc1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 247805928 BCUBPWNBFFRSCT-AWEZNQCLSA-N 345.424 1.920 0 40 EDAB CCOCC(=O)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 248264669 CYVIRHMMVKQORY-CQSZACIVSA-N 344.419 1.170 0 40 EDAB O=C(CCn1cnc2ccccc21)N1CC[C@@](O)(CN2CCCC2)C1 257327038 WZPUEVSHHBRBER-LJQANCHMSA-N 342.443 1.486 0 40 EDAB O=S(=O)(c1ccccc1)N1CCO[C@@H](CCc2ccncn2)C1 257294462 QUHNQWIFELGPGB-HNNXBMFYSA-N 333.413 1.499 0 40 EDAB CCOc1ccccc1CN1CCC[C@]1(C(N)=O)c1cnccn1 257312706 UPFJVSWZBCJECI-GOSISDBHSA-N 326.400 1.852 0 40 EDAB O=C(O)[C@H]1CCCCN1S(=O)(=O)CCOCc1ccccc1 263166653 KEHVYYLKZLAXFV-CQSZACIVSA-N 327.402 1.472 0 40 EDAB COc1cc([C@@H](C)NC(=O)c2cncnc2)ccc1S(C)(=O)=O 1615614875 JQXJJZLTBZVGIR-SNVBAGLBSA-N 335.385 1.380 0 40 EDAB Cc1cc(NC(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)no1 390828313 QCGFATOSNBPMPC-UHFFFAOYSA-N 335.367 2.515 0 40 EDAB Cc1cccc(C(=O)N2CC3(C[C@@H](OCC(=O)N(C)C)CCO3)C2)c1 575405368 HOVBYQXJCHWEQZ-INIZCTEOSA-N 346.427 1.473 0 40 EDAB O=C(Cc1ccc(F)cc1F)NCCn1nc2c(cc1=O)CCCC2 575609686 ZZDXLDYTVKBLLY-UHFFFAOYSA-N 347.365 1.759 0 40 EDAB Cc1cc(-c2nc(C)c[nH]2)nc([C@@H]2CCCCN2S(C)(=O)=O)n1 585178856 SAPPZFXQWLUHKV-ZDUSSCGKSA-N 335.433 1.970 0 40 EDAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)NC3CC3)[C@H]3OCC[C@H]32)c1 585109420 ODWDENIIHKFPHG-GVDBMIGSSA-N 328.412 1.812 0 40 EDAB Cc1ccc(C)c(CN2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)c1 585113066 YIRRXXCYSJTLBL-KRWDZBQOSA-N 348.472 1.606 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ccc(N)nc1 585288306 UTFKYNWSAIADFF-SCLBCKFNSA-N 346.431 1.342 0 40 EDAB Cc1ccccc1C(=O)N1CC[C@H]2C[C@H](C(=O)NC3CC3)O[C@H]2C1 585108582 HRROYAPSGMXRFQ-XKQJLSEDSA-N 328.412 1.893 0 40 EDAB Cc1cc(C)n2cc(CN3CCN(Cc4cc(C)on4)CC3)nc2n1 71793193 HGCZBOVYERYDBX-UHFFFAOYSA-N 340.431 1.960 0 40 EDAB COC1CCN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)CC1 54483604 DQLKJNPCNQZKQB-UHFFFAOYSA-N 337.420 1.269 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(=O)NC3CC3)CC2)c1C 56004697 JJPCSHJTVRMEJN-UHFFFAOYSA-N 331.416 1.965 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCC[C@@H]1c1ccccn1 55516148 MMRQGGIHOIZCIP-CQSZACIVSA-N 342.399 1.610 0 40 EDAB Cc1ccc2nc(CNC(=O)C3(C(=O)NC4CC4)CCC3)[nH]c2c1 72305526 WBTNWENQNPQMLK-UHFFFAOYSA-N 326.400 1.936 0 40 EDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc2c(c1)CCC2 548531298 ZFGPRXJOQDOMRL-ABAIWWIYSA-N 339.413 1.333 0 40 EDAB CCCc1occc1C(=O)NCc1cc(S(N)(=O)=O)ccc1F 585079833 BEYMQEMVROYXLI-UHFFFAOYSA-N 340.376 1.949 0 40 EDAB CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CC[C@@H](O)C1 585117184 TXOLRAKDPZXSJT-PSASIEDQSA-N 349.250 1.885 0 40 EDAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(CCF)CC1 1615587367 JXEKEPQCVWUHHQ-CYBMUJFWSA-N 345.426 1.846 0 40 EDAB CC(C)c1cc(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)[nH]n1 12115840 QWOPWFLDOOPHGB-UHFFFAOYSA-N 325.376 1.686 0 40 EDAB CCn1c(N2CCC[C@@H](C(=O)NC[C@@H](C)O)C2)nc2ccccc21 12145843 DLBRBTCKTBGDOD-ZIAGYGMSSA-N 330.432 1.770 0 40 EDAB O=C(NCCc1nc(-c2ccncc2)n[nH]1)C1Oc2ccccc2O1 12197284 WEMOYCDNQCJUGQ-UHFFFAOYSA-N 337.339 1.323 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccc(F)cc2)c1 12934880 YHQKUFRMBIQVRY-UHFFFAOYSA-N 338.360 1.121 0 40 EDAB COc1ccccc1-c1nnc(SCCN2CCOCC2)n1C 19289294 FSIRXKDHDVAIBH-UHFFFAOYSA-N 334.445 1.915 0 40 EDAB Cn1cnc(C(=O)N2C[C@H]3CCc4nnc(-c5ccccc5)n4[C@H]3C2)c1 19290787 FKPPECPDTRLYSW-ZBFHGGJFSA-N 348.410 1.938 0 40 EDAB Oc1ccc(CN2CCc3c(O)nc(N4CCOCC4)nc3C2)cc1 19334419 VUXVHCJSFHYSEQ-UHFFFAOYSA-N 342.399 1.283 0 40 EDAB CC(C)Nc1nc([C@@H]2CC(=O)N(Cc3ccccn3)C2)cc(=O)[nH]1 19450236 ZLIDLEXWALVBSL-GFCCVEGCSA-N 327.388 1.501 0 40 EDAB COCC(=O)NCCn1nc(-c2ccccc2F)cc1CN(C)C 19583456 HTOVXJYQZZBETK-UHFFFAOYSA-N 334.395 1.513 0 40 EDAB COC[C@H](C)NCc1cc(-c2ccccc2)cn2c(=O)n(C)nc12 12220779 IGURQLIKFMMZDA-ZDUSSCGKSA-N 326.400 1.825 0 40 EDAB CCC[C@@H](NC(=O)[C@H]1C=CCN1S(C)(=O)=O)c1cccs1 12200138 HORDYKICSKOOOX-VXGBXAGGSA-N 328.459 1.906 0 40 EDAB Cc1cccn2c(=O)nc(SCC(=O)N3C[C@H](C)O[C@H](C)C3)nc12 18082305 PURNWYKSMSMLAC-TXEJJXNPSA-N 348.428 1.126 0 40 EDAB Cc1cnccc1OC1CCN(C(=O)N[C@@H]2CC[S@](=O)C2)CC1 570896420 KOIWNBPXEODKHO-ZLOXQWCVSA-N 337.445 1.464 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@@H](O)c1cc(-c2ccco2)cs1 1888909467 ZKLGUCYIRSOTCD-LLVKDONJSA-N 348.380 1.307 0 40 EDAB O=C([C@@H]1CCCN(c2nccn3nccc23)C1)N1CCSCC1 1889114166 MPMFXEKLJGJLTN-CYBMUJFWSA-N 331.445 1.521 0 40 EDAB COc1ccc(CNC[C@H]2CCS(=O)(=O)C2)cc1Br 37982579 RGSXPULKVVOJTA-LLVKDONJSA-N 348.262 1.982 0 40 EDAB CC(C)N1C[C@]2(COCC1=O)CN(Cc1ccccc1F)CCO2 2037981073 SYMFWIVNRBYANA-SFHVURJKSA-N 336.407 1.664 0 40 EDAB Cn1cnc(C(=O)N2C[C@H]3CCN(c4ncccn4)CC[C@H]3C2)c1 2056224711 QQSKQAXAJKMPBC-OKILXGFUSA-N 326.404 1.199 0 40 EDAB O=C(NC1CCCCC1)[C@H]1C[C@]2(CO1)CN(Cc1cnc[nH]1)CCO2 2056225952 GBCJEUNZAQWSQT-SJLPKXTDSA-N 348.447 1.219 0 40 EDAB CC1CC(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)C1 1565545492 ITVCCSMBEUGFMZ-UHFFFAOYSA-N 330.432 1.287 0 40 EDAB COc1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 210899 DZIBUUFCEJZIGR-UHFFFAOYSA-N 339.351 1.870 0 40 EDAB biogenic,in-vitro C[C@H](O)CN[C@@H](CC(=O)Nc1c(Cl)cccc1Cl)C(=O)O 5258289 BIIAVDUTJUQMEI-XVKPBYJWSA-N 335.187 1.746 0 40 EDAB COC(=O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@H]3O2)ccc1Cl 100179295 FCBUFYFFWZMHFV-HPTBWKMGSA-N 347.754 1.960 0 40 EDAB CC[C@](C)(CNC(=O)NCc1ccc2c(c1)OCO2)N1CCOCC1 31094220 FKZAFJKXJKYLAH-GOSISDBHSA-N 349.431 1.715 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)NCCC(=O)N1CCCC1 40463090 MMSXJTHEYOCZGX-UHFFFAOYSA-N 342.399 1.623 0 40 EDAB Cc1c(C(=O)NCCCNS(C)(=O)=O)oc2c(F)cccc12 40497047 YXBOFOAUXZSBSK-UHFFFAOYSA-N 328.365 1.549 0 40 EDAB CCOC(=O)NCCC(=O)Nc1cc(OC)c(OC)c(OC)c1 40513432 GADXAHSHWIUQRB-UHFFFAOYSA-N 326.349 1.787 0 40 EDAB O=C(NCCc1ccccn1)C1=NN(Cc2ccccc2)C(=O)CC1 40540156 XNEWMSZHKCNOCH-UHFFFAOYSA-N 336.395 1.919 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N2c3ccccc3C[C@H]2C)no1 40528849 XQRQXZRIKAWOPF-LLVKDONJSA-N 334.397 1.876 0 40 EDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)c1cccc2cn[nH]c12 31936891 MZTWMHUVHVWZGI-QGZVFWFLSA-N 346.456 1.501 0 40 EDAB COc1cccc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 31941439 OCRHBZKUOOJBIE-KRWDZBQOSA-N 336.457 1.633 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 32795176 LDEHGMLOXCBGPI-CYBMUJFWSA-N 349.818 1.384 0 40 EDAB NC(=O)NCc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(F)cc2)cc1 21474782 FEGNVSGZLHORAU-AWEZNQCLSA-N 345.330 1.377 0 40 EDAB COc1ccccc1NC(=O)Cn1c(C)cc(C)c(C(N)=O)c1=O 32859778 POIPMHGSYYKRCQ-UHFFFAOYSA-N 329.356 1.211 0 40 EDAB CCCn1c(SCc2csc(CC(=O)N(C)C)n2)n[nH]c1=O 32831974 RASJNKNLFUBHAY-UHFFFAOYSA-N 341.462 1.361 0 40 EDAB COc1ccc([C@H](O)CNC(=O)NCc2cccnc2OC)cc1 41448525 PNISWCFWGFDTRG-OAHLLOKOSA-N 331.372 1.632 0 40 EDAB CC(C)NC(=O)[C@@H](c1ccccc1)N1CCC(N2CCNC2=O)CC1 53285603 KCAFQRKOCCQYHK-QGZVFWFLSA-N 344.459 1.742 0 40 EDAB Cc1ccc(NC(=O)N2CCOCC2)cc1NC(=O)N1CCOCC1 39330 QIPAFZVKONSNSX-UHFFFAOYSA-N 348.403 1.723 0 40 EDAB COC(=O)CNC(=O)c1cccc(NC(=O)CC[C@H]2CCCO2)c1 53354876 BPFYYTBOYQGFJN-CQSZACIVSA-N 334.372 1.487 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Cn1nc2ccccn2c1=O 47002736 WTLVIZIRZRAISF-ZIAGYGMSSA-N 332.404 1.208 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)NCC(=O)Nc1ccccc1 1691963 GJVVBQBFCVEPFC-UHFFFAOYSA-N 337.335 1.038 0 40 EDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)N(C)Cc2cnn(C)c2)o1 78879792 XTZKGHMIMDPGDD-AWEZNQCLSA-N 338.433 1.835 0 40 EDAB COc1ccccc1OCC(=O)NS(=O)(=O)c1cccs1 42244727 IQZMZMLQUNBJCV-UHFFFAOYSA-N 327.383 1.641 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccs1 3491271 RWBWVJZIWKRYPO-UHFFFAOYSA-N 326.399 1.334 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)c1csc(Br)c1 37503750 NHLXXPJAOBCEDL-SECBINFHSA-N 333.251 1.961 0 40 EDAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC1=NCCS1 4171554 SFWFRSTXCFXZFI-LKBWSCCASA-N 335.473 1.927 0 40 EDAB COCC(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 42369631 HYMUVUFKZFOEFL-CYBMUJFWSA-N 330.388 1.588 0 40 EDAB CN(C)c1cc(CNC(=O)c2ccc(N3CCNC3=O)cc2)ccn1 47540457 BPJWWSAGOJABQD-UHFFFAOYSA-N 339.399 1.607 0 40 EDAB CCC(=O)N1CCN(c2ccccc2[C@@H]2C[C@H](C(N)=O)CC2=O)CC1 57328023 ZRJJINSWELEWMP-ZFWWWQNUSA-N 343.427 1.293 0 40 EDAB Cc1csc(=O)n1CCC(=O)N(C)C[C@H]1COc2ccccc2O1 24661855 ITNDBKULJDYFAR-ZDUSSCGKSA-N 348.424 1.907 0 40 EDAB CCOc1ccc(Cl)c(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 55128819 ZANHVLXAMHENAO-VIFPVBQESA-N 332.809 1.393 0 40 EDAB C[C@H](NC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccncc1 106566237 BXCFMGRHJXBOSH-BHYGNILZSA-N 348.447 1.179 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(C(=O)C3CC3)CC2)c1C 35286840 DORFKBBQPNZQSJ-CYBMUJFWSA-N 345.443 1.960 0 40 EDAB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NCc1ccccn1 57421904 ILENUMCJIAMIPS-CQSZACIVSA-N 340.449 1.085 0 40 EDAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)C1 57411389 UCIQSIOPSQOSMU-GOEBONIOSA-N 344.411 1.902 0 40 EDAB C[C@H](NS(=O)(=O)N1CCCCC1)c1ccc2c(c1)NC(=O)CO2 26869630 SIVPYCOFDJLBIC-NSHDSACASA-N 339.417 1.399 0 40 EDAB CN(CCN1C(=O)NC(C)(C)C1=O)C[C@H]1COc2ccccc2O1 26922430 MUSIJZFNKKVGHY-LBPRGKRZSA-N 333.388 1.089 0 40 EDAB CCOc1ccccc1CCC(=O)NCC1(C(N)=O)CCOCC1 47931037 LIQOXNKEVWQKDY-UHFFFAOYSA-N 334.416 1.416 0 40 EDAB CC(C)N(C)S(=O)(=O)NC[C@H](c1ccccc1)N1CCCC1 58184275 NBAONNTYPCACCE-MRXNPFEDSA-N 325.478 1.998 0 40 EDAB Cn1c(Cl)cnc1CN1CCC[C@H](C(=O)N2CCOCC2)C1 44895184 RBPUUHSBYULVGM-LBPRGKRZSA-N 326.828 1.144 0 40 EDAB CC(C)(CNC(=O)CN1CSCC1=O)c1ccc2c(c1)OCO2 58225036 ZHXUZTGWGRPSAP-UHFFFAOYSA-N 336.413 1.342 0 40 EDAB CN(C(=O)c1cc(C2CC2)nn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 44952352 PZHKRFVNNYVSHY-GFCCVEGCSA-N 339.461 1.775 0 40 EDAB NC(=O)CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CCCC1 44944005 MVJQECSOQDRKDQ-UHFFFAOYSA-N 334.807 1.806 0 40 EDAB Cc1occc1C(=O)NCC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 58343553 LQNUBHKHBXCLCY-NSHDSACASA-N 347.337 1.318 0 40 EDAB CC(=O)N1CCC(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 12617800 VATRMENVVKAADS-INIZCTEOSA-N 333.432 1.791 0 40 EDAB COc1ccc(C(=O)N2CCC3(CC2)OCCO3)c(OC)c1OC 28023526 ZUXJLWKTSVVSDY-UHFFFAOYSA-N 337.372 1.692 0 40 EDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CNCc2ccccn2)c1 58448539 FQYREURHZKTELY-UHFFFAOYSA-N 348.428 1.060 0 40 EDAB Cc1cccc(NC(=O)CCNC(=O)[C@@H](C)S(=O)(=O)C(C)C)n1 58424063 UHRYLRGESUNOCL-GFCCVEGCSA-N 341.433 1.047 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCC(=O)N(C)Cc1ccccc1 58416341 VWXJQFVLVZZTJK-UHFFFAOYSA-N 329.448 1.543 0 40 EDAB CC(C)(CNC(=O)N[C@H]1CCOc2ccccc21)N1CCOCC1 45113614 IHXHIZVGMBACDE-HNNXBMFYSA-N 333.432 1.920 0 40 EDAB Cc1[nH]ncc1C(=O)NCC(=O)Nc1ccc(Br)cc1 58530439 MBCCPCHUMFTDRN-UHFFFAOYSA-N 337.177 1.849 0 40 EDAB COc1ccc(Cl)cc1-n1nnc(C(=O)NCCN(C)C)c1C 51317613 HPYWZYATMXKBKZ-UHFFFAOYSA-N 337.811 1.529 0 40 EDAB COCCn1nc(C(=O)N[C@H]2CCOc3ccccc32)ccc1=O 45529488 CQVXEKXSHXALKM-ZDUSSCGKSA-N 329.356 1.143 0 40 EDAB Cc1cnc(N2C[C@H]3O[C@H](C[C@H]3C(=O)NCc3ccccc3)C2)nc1 107265000 YVCIRGMZGBNGGO-BRWVUGGUSA-N 338.411 1.695 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cn1 107198660 NHWMLKWLDXIDMI-UONOGXRCSA-N 328.397 1.867 0 40 EDAB CCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCN(C)C3 20290036 CRSWNPJBLZVEBM-UHFFFAOYSA-N 338.458 1.043 0 40 EDAB O=C(c1ccc(Cn2cncn2)cc1)N1CCN(c2cnccn2)CC1 11546591 LFHYJHQNCRMWBV-UHFFFAOYSA-N 349.398 1.079 0 40 EDAB O=C(O[C@@H]1CCOC1=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11547034 AAZMHMCIJGQATJ-CQSZACIVSA-N 330.315 1.972 0 40 EDAB CCOCC(=O)N1CCC[C@]2(CC1)CCN(Cc1cccnc1)C2=O 108532586 VKIHDIZCDLEQFO-IBGZPJMESA-N 345.443 1.849 0 40 EDAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(Cl)cc1N 3300523 RRFQRITZGUIBMK-UHFFFAOYSA-N 327.768 1.703 0 40 EDAB COc1ccccc1[C@@H](C)N(C)CC(=O)NC1CCN(C(C)=O)CC1 46530910 FKTMOKFHSXKBNJ-CQSZACIVSA-N 347.459 1.815 0 40 EDAB COc1cccc(/C=C/C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 3363993 IAZMQSDVWBWJIJ-JXMROGBWSA-N 346.408 1.672 0 40 EDAB CCN(Cc1ccccc1)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 13098684 RRYGMZUINWMMOT-HOTGVXAUSA-N 326.396 1.986 0 40 EDAB CC1(C)C[C@H](C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CCO1 38549899 QHHWCSVBSCFMCZ-RRFJBIMHSA-N 330.428 1.999 0 40 EDAB biogenic Cc1cc(NC(=O)CNc2ccc(F)c(-n3nnnc3C)c2)n(C)n1 84101875 ZYXMMBYFWRQOSI-UHFFFAOYSA-N 344.354 1.202 0 40 EDAB COc1ccnc(N2CCN(C[C@H](O)c3ccccc3F)CC2)n1 64248340 SDKZRZRDCLNVAM-HNNXBMFYSA-N 332.379 1.480 0 40 EDAB O=C1c2ccccc2N2C(=O)CC[C@@]2(C(=O)O)N1Cc1ccco1 4206980 VYRSDMYXIBQWTJ-QGZVFWFLSA-N 326.308 1.843 0 40 EDAB O=C1NCCN(C(=O)Cc2cccnc2)[C@H]1c1ccccc1Cl 97086610 GLWSVNGFUWUBJV-INIZCTEOSA-N 329.787 1.977 0 40 EDAB Cc1nc(C(C)C)sc1C(=O)NC1CCN(c2nnnn2C)CC1 65491456 WWNOKQDCXDXFFH-UHFFFAOYSA-N 349.464 1.497 0 40 EDAB Nc1nc(CN2CCN(CCn3cccn3)CC2)nc2ccccc12 65465307 QAWDNJRYTDRMFO-UHFFFAOYSA-N 337.431 1.226 0 40 EDAB CN(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 65402553 OVPBVYZMBMPBNP-GFCCVEGCSA-N 335.835 1.903 0 40 EDAB COc1cc(Br)ccc1CN1C[C@@H](C(N)=O)O[C@H](C)C1 97081545 IOFWPCJTZBZHIE-RNCFNFMXSA-N 343.221 1.532 0 40 EDAB CC(=O)c1ccc(OC[C@H](O)Cn2nnc3ccccc3c2=O)cc1 14199311 YCKXISCDOLYSJR-CQSZACIVSA-N 339.351 1.434 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)CCC(=O)c1cccs1 6497226 KDXHDELGTGJQIG-VIFPVBQESA-N 326.374 1.488 0 40 EDAB CC1(C)NC(=O)N(CCOC(=O)c2cc3c(cc2O)CCCC3)C1=O 65687416 YFXBJFHDHCFROR-UHFFFAOYSA-N 346.383 1.758 0 40 EDAB Cc1ccc([C@H](CNc2ncnc3c2cnn3C)N2CCOCC2)o1 14279784 YKQMAJQBSNZSJG-AWEZNQCLSA-N 342.403 1.750 0 40 EDAB C[C@H](NC(=O)C(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 5424125 IXSYWQYFAUETMM-DZGCQCFKSA-N 340.379 1.820 0 40 EDAB CC(=O)N1CCC(NC(=O)CN[C@H](C)[C@H](C)c2ccccc2)CC1 97234898 WHLYBNRQMHOZHD-LSDHHAIUSA-N 331.460 1.895 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 5700656 IMGMNTCBIYDKOG-SCZZXKLOSA-N 345.804 1.881 0 40 EDAB COC(=O)c1ccccc1NC(=O)c1cnn2c(=O)cc(C)[nH]c12 67225472 VLDSZXWDYPSEQZ-UHFFFAOYSA-N 326.312 1.370 0 40 EDAB C[C@@H]1CN(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)CCO1 72272813 HYFHFNZXZZHMMT-CYBMUJFWSA-N 335.404 1.084 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)ccc1=O 72234002 UGHWRLYNPGEGLZ-HNNXBMFYSA-N 343.431 1.981 0 40 EDAB CCc1cc(C(=O)OC)c(NC(=O)C[C@@H]2SC(=N)NC2=O)s1 5961451 JVIXAYVAZGZMCB-QMMMGPOBSA-N 341.414 1.592 0 40 EDAB CO[C@@H]1CCC[C@H](OC(=O)[C@H](C)Sc2nnnn2C2CC2)C1 110577156 VWUROHWWXXDBFF-WCQGTBRESA-N 326.422 1.989 0 40 EDAB Cc1ncsc1C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 67727953 CUYISNSWFYYJIA-UHFFFAOYSA-N 347.444 1.467 0 40 EDAB COc1cccc2c1OC[C@@H](NC(=O)N1CCCN(C(C)=O)CC1)C2 71796336 WQENXMVSOFTLIO-HNNXBMFYSA-N 347.415 1.263 0 40 EDAB NC(=O)c1ccc(NC(=O)CN2C(=O)CCOc3ccccc32)cc1 7919598 WRESQSYBBKCRLU-UHFFFAOYSA-N 339.351 1.540 0 40 EDAB COCCCNC(=O)N[C@@H](C)c1ccccc1NS(C)(=O)=O 69040255 AIQMJIITHHDBQZ-NSHDSACASA-N 329.422 1.455 0 40 EDAB O=c1oc2ccccc2n1CCCN1CCO[C@@H](Cn2cccn2)C1 69386740 OCFDGQAYHLLPRT-OAHLLOKOSA-N 342.399 1.582 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 69327152 IOPRKNBUBVLBRI-LBPRGKRZSA-N 345.399 1.924 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N2CCCn3ncnc32)n1 71839370 HJKFHLXNEIOJDV-UHFFFAOYSA-N 335.799 1.618 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)N3CCOCC3(C)C)CC2=O)cc1 69420141 MZHWFQARMSVWFM-HNNXBMFYSA-N 346.427 1.681 0 40 EDAB COc1cc(C(=O)NC2CCC(C(N)=O)CC2)cc(OC)c1OC 69453267 PBNFMAWLZPDRAI-UHFFFAOYSA-N 336.388 1.486 0 40 EDAB Cc1cnn(C2CN(c3ncnc4c3c(Br)nn4C)C2)c1 69484731 GHXAPAXADJHETR-UHFFFAOYSA-N 348.208 1.692 0 40 EDAB CCc1nc(CN2CCC[C@H](Nc3ncnc4[nH]ccc34)C2)no1 69456757 MHKOTKULFBPNBA-NSHDSACASA-N 327.392 1.980 0 40 EDAB Cc1cnn(C[C@H](C)NCc2ccccc2OCC(=O)N(C)C)c1 69463587 BIHKWAKYOZFRNZ-HNNXBMFYSA-N 330.432 1.837 0 40 EDAB CC(C)[C@H]1CCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12 71833106 LGNNXAKVXPBOGY-GFCCVEGCSA-N 335.429 1.998 0 40 EDAB COCCN1C[C@H](C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)CC1=O 71827939 AANBIWYMOKMHTJ-USXIJHARSA-N 346.427 1.470 0 40 EDAB c1ccc(-n2nnc3c(N4CCC[C@H]4Cn4cncn4)ncnc32)cc1 69699237 RTZONBVUZIDTEZ-AWEZNQCLSA-N 347.386 1.471 0 40 EDAB COC(=O)[C@@H](NCC(=O)NC1CCCC1)c1cc(F)ccc1F 69664389 UEDAZHCUPVMZOK-HNNXBMFYSA-N 326.343 1.827 0 40 EDAB C[C@@H](NC(=O)CNC[C@@H]1CCCN1c1cccnn1)c1ccco1 71859865 HCBHRZVUVZHROC-KGLIPLIRSA-N 329.404 1.505 0 40 EDAB C[C@@H](O)CN1CCC(CN(C)Cc2nc(-c3ccoc3)no2)CC1 69778710 DBJFQNSNYCAAGN-CYBMUJFWSA-N 334.420 1.854 0 40 EDAB COCCN1CCN(CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 69840687 RIVOOERENKADQA-LJQANCHMSA-N 331.460 1.518 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N(C)CC2CCN(C[C@@H](C)O)CC2)on1 69897166 DCTCNAJYDLOMPG-KGLIPLIRSA-N 338.452 1.335 0 40 EDAB CC(=O)c1cccc(OCC(=O)NCc2nc(-c3ccco3)n[nH]2)c1 69812064 FZPLKMLLQKJBOT-UHFFFAOYSA-N 340.339 1.963 0 40 EDAB CC[C@@H]1CCCCN1C(=O)CNCC1CCN(C[C@H](C)O)CC1 69898297 VPWRXKBHJGFVLW-DOTOQJQBSA-N 325.497 1.460 0 40 EDAB O=S(=O)(c1ccc(SCC2OCCO2)nc1)N1CCCCC1 71916374 PWDFKKWWIXFLCJ-UHFFFAOYSA-N 344.458 1.721 0 40 EDAB CCc1cc(NC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)n(C)n1 97161639 IKUPYYBOGHDOHO-UHFFFAOYSA-N 346.416 1.944 0 40 EDAB O=C(NC1CCN(C[C@H]2CCOC2)CC1)NC1Cc2ccccc2C1 97140213 ZLJFJAGXJQLFOQ-OAHLLOKOSA-N 343.471 1.954 0 40 EDAB O=C(NCc1ccccn1)C(=O)Nc1cnc(-c2ccccc2)nc1 95461261 OFXDZBUTAAAVJS-UHFFFAOYSA-N 333.351 1.794 0 40 EDAB CS[C@H](CO)[C@H](C)NC(=O)CCCc1nc(C(C)(C)C)no1 95426673 PHTZFQREGWZMCD-WDEREUQCSA-N 329.466 1.918 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)Cn2ncc3cnn(C)c(=O)c32)c1 95438882 HAGURNJDQKKQNN-CQSZACIVSA-N 328.372 1.187 0 40 EDAB Cn1c(=O)[nH]c2ccc(C(=O)NCCNC(=O)c3cccs3)cc21 95433563 GDBKNSLMIZCILE-UHFFFAOYSA-N 344.396 1.088 0 40 EDAB CCO[C@H]1C[C@H](NC2CCN(S(C)(=O)=O)CC2)C12CCCC2 95400088 QLUKHVKZZLAMTA-GJZGRUSLSA-N 330.494 1.738 0 40 EDAB CO[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 95980279 OXJLTLGXCROPSE-BYCMXARLSA-N 326.824 1.863 0 40 EDAB C[C@@H]1CN(C(=O)NCC(=O)NC(C)(C)C)CCN1CC(F)(F)F 95977443 DMMMLFFJTITPCS-SNVBAGLBSA-N 338.374 1.179 0 40 EDAB COc1nccnc1N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 95965839 BHJSKUXAEAXLOB-JKSUJKDBSA-N 326.400 1.575 0 40 EDAB CC(C)n1cnnc1C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 95986148 PJKHTSCESVNGCX-UHFFFAOYSA-N 338.437 1.161 0 40 EDAB Cc1nsc(N2CCN(C(=O)[C@H](C3CC3)N3CCCC3)CC2)n1 95939795 UWVCWVPYTJLKKJ-AWEZNQCLSA-N 335.477 1.370 0 40 EDAB C[C@H](NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1nc2ccccc2n1C 95985175 CNTSTYNEJRBGGE-WOSRLPQWSA-N 330.432 1.860 0 40 EDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCCc1cnn(C)c1 95953045 KUAPPNRJZDLMDD-SFHVURJKSA-N 340.427 1.615 0 40 EDAB CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)OC)c(OC)c2)C1=O 409233766 WYNALUWZANYVSE-XYOKQWHBSA-N 348.355 1.550 0 40 EDAB C[C@@H](C(=O)Nc1cccnc1Cl)N1CC[C@H](N2CCOCC2)C1 89574058 ZVWWQGOJCWOYPB-STQMWFEESA-N 338.839 1.469 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@@H](c2ccco2)N(C)C)c(=O)[nH]1 75111058 YLKOAEYTTOELMC-AWEZNQCLSA-N 332.404 1.687 0 40 EDAB CCOCCN1CCN(C(=O)c2cccc3c2OCCO3)C[C@@H]1C 89986987 XMIKVDQJAPFZTI-AWEZNQCLSA-N 334.416 1.641 0 40 EDAB C[C@]1(C(=O)NC2CCN([C@H]3CCOC3=O)CC2)CC1(Cl)Cl 89919224 UUOYNLNJZKAIEK-GXFFZTMASA-N 335.231 1.466 0 40 EDAB COc1ccc(-c2nc(Cn3cc(Cl)c(=O)[nH]c3=O)co2)cc1 76092625 SHHRDFMMFQGJSF-UHFFFAOYSA-N 333.731 1.902 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)Nc1ccn(CCc2ccncc2)n1 76070634 BRECWPFPZBGKHA-CYBMUJFWSA-N 340.391 1.323 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)c2cccc(CS(C)(=O)=O)c2)no1 76043349 BXNSRLIKSPXYNQ-CQSZACIVSA-N 349.412 1.900 0 40 EDAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1C[C@H](O)COCc1ccccc1F 24210089 BMYBLDKAMZLJRA-KKUMJFAQSA-N 335.375 1.878 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCCCC2)C1 20041255 FFBRYUCYDGQJPQ-HNNXBMFYSA-N 343.493 1.512 0 40 EDAB CNC(=O)[C@@]12CCOC[C@H]1CN(C(=O)c1cccnc1NC(C)C)C2 1551407710 HLBFJQHSKLYKSW-FZKQIMNGSA-N 346.431 1.127 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2cnccn2)[C@H]1Cc1ccccc1 306139893 UDNQTXSUNCGBBW-ROUUACIJSA-N 341.411 1.965 0 40 EDAB CCC[C@@H]1C[C@H]1C(=O)N(CC)CCNC(=O)[C@@H]1COCCN1CC 1528937120 XUFWHAVLRKHGSF-OAGGEKHMSA-N 339.480 1.108 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2cccc(O)c2)NC(=O)N[C@]1(O)C(F)(F)F 6439238 PJNBCPGIVGWJIH-OPQQBVKSSA-N 348.277 1.176 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NCc2cccc3c2OCCCO3)C1 62258909 QDOJGWKTFVTKHA-AWEZNQCLSA-N 340.445 1.362 0 40 EDAB CC(=O)N(C)Cc1cncc([C@@H]2CCCN2Cc2nccn2C)n1 72366124 SQLDGIHDOYLWAR-INIZCTEOSA-N 328.420 1.526 0 40 EDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cnc2ccccn2c1=O 78394536 FASXWJNRIXKKDT-CQSZACIVSA-N 342.399 1.168 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(N[C@@H](C)COC)c(C(=O)O)c1 217562864 LUCUMSPKGPJKOI-QWRGUYRKSA-N 344.433 1.908 0 40 EDAB CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)cc1 71285816 VHZRLLKNZKMZJP-UONOGXRCSA-N 347.415 1.273 0 40 EDAB CCN1CCCC[C@@H]1CNC(=O)NC1CCN(C(=O)C2CC2)CC1 78924757 OIMMXLRWBVQRIC-MRXNPFEDSA-N 336.480 1.561 0 40 EDAB C[C@H](c1ccc2c(c1)OCO2)N1Cc2nc(N(C)C)ncc2C1=O 41123039 ACOFMGNSRPXQTK-SNVBAGLBSA-N 326.356 1.988 0 40 EDAB C[C@H]1CCN(C(=O)NCCn2c(=O)oc3ccccc32)C[C@H]1C(=O)O 564925157 IYFRYCBJUDRYIX-NWDGAFQWSA-N 347.371 1.347 0 40 EDAB Cc1cn2nc(N[C@@H]3CCN(C(=O)c4cccs4)C3)ccc2n1 568978989 JXMPFQRMGHLKAH-GFCCVEGCSA-N 327.413 2.426 0 40 EDAB COc1cc2nc(C)n(CCNC(=O)CC(C)C)c(=O)c2cc1OC 85876434 PLBGMKZKQSLSIV-UHFFFAOYSA-N 347.415 1.884 0 40 EDAB biogenic COCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 40543033 IYLGWFRXWRAWCX-UHFFFAOYSA-N 340.445 1.255 0 40 EDAB Cc1nc(C(=O)NCCCc2nncn2C)nn1-c1ccc(F)cc1 575450009 KTQPCMRYDKURJD-UHFFFAOYSA-N 343.366 1.206 0 40 EDAB CCCN1CCCN(C(=O)NCCc2ncc(CC)s2)CC1=O 190193963 WDGKSYFNVDZXFS-UHFFFAOYSA-N 338.477 1.902 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC[C@@]1(C)C(=O)O 530209802 YISBEHQKLTXJFU-WQGACYEGSA-N 325.409 1.330 0 40 EDAB NS(=O)(=O)Cc1ccc(C(=O)NCCc2cccc(F)c2)cc1 195157172 NHXRQSVHIPUENA-UHFFFAOYSA-N 336.388 1.587 0 40 EDAB COc1ccccc1CNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1C 223320583 KYBBTTZGIKNICB-UHFFFAOYSA-N 348.380 1.917 0 40 EDAB O=C(c1cnc(C(F)(F)F)nc1)N1CCCC[C@H]1Cn1ccnn1 195571031 ARPUBOZAEFUPIW-NSHDSACASA-N 340.309 1.782 0 40 EDAB CN(C)CCOC[C@@H]1CN(Cc2ccccn2)Cc2ccnn2C1 96188969 SAONKBMGJSGFMV-MRXNPFEDSA-N 329.448 1.488 0 40 EDAB Cc1noc(CCCNC(=O)N2CCOC[C@@H]2c2ccc(C)o2)n1 96408855 XWAYEYSDWYBJMI-CYBMUJFWSA-N 334.376 1.995 0 40 EDAB O=C(NCC(C1CC1)C1CC1)Nc1cnn(CCN2CCOCC2)c1 95406294 MEYGTQBQRXAFAH-UHFFFAOYSA-N 347.463 1.773 0 40 EDAB O=C(O)C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1Cc1nc2cnccc2[nH]1 514289316 PWVOASIWVHOCIR-STQMWFEESA-N 342.399 1.850 0 40 EDAB biogenic,in-vitro O=C1OCc2cc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)ccc21 95476512 CCBNEZHMKXDQDP-LLVKDONJSA-N 340.335 1.937 0 40 EDAB O=C(c1ccncc1)N1CCN(C[C@@H](O)c2ccccc2F)CC1 93255652 QIEPZUAWMAXYKW-QGZVFWFLSA-N 329.375 1.712 0 40 EDAB Cc1ncsc1CN1C[C@H]2OC[C@H](C(=O)Nc3cnccn3)[C@H]2C1 96215763 VSBDBNYGRDVSPN-FRRDWIJNSA-N 345.428 1.327 0 40 EDAB O=C1N(Cc2cccnc2)CC[C@@]12CCCN(S(=O)(=O)C1CC1)C2 96224344 CFQDCDWQLCGQNK-QGZVFWFLSA-N 349.456 1.388 0 40 EDAB CC(C)OCCCNC(=O)C1CCN(c2ccc3nccn3n2)CC1 96483285 GNWLWRXALKPNIJ-UHFFFAOYSA-N 345.447 1.877 0 40 EDAB O=C(CCCCN1CCOCC1)N1CCc2ccccc2[C@@H]1CO 331620458 RCLUCSMZBCXLOC-SFHVURJKSA-N 332.444 1.607 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccsc1)C2)c1ccnnc1 96214949 VGYIFMIVTOUEDE-WBVHZDCISA-N 344.440 1.417 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@](O)(c2cnn[nH]2)C1 583618935 JUPXRWSWXBPBBE-KRWDZBQOSA-N 325.372 1.718 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)c(C)o1 583620969 UYZXFNZLMDTSOS-CZUORRHYSA-N 330.388 1.722 0 40 EDAB CCC[C@@H](C(=O)OCC)S(=O)(=O)N1CCOCC(F)(F)C1 583651718 RGEFQNFQZOKDFO-JTQLQIEISA-N 329.365 1.016 0 40 EDAB CN(C)[C@@H](C(=O)N1CCO[C@H](c2nncn2C)C1)c1ccccc1 583621760 KFCHPRDEHCYYOE-LSDHHAIUSA-N 329.404 1.018 0 40 EDAB Cn1cc(CN2CCO[C@]3(CCCN(c4ncccc4F)C3)C2)cn1 96226396 QHNNAOLRGBVUPE-GOSISDBHSA-N 345.422 1.826 0 40 EDAB Cc1ccc([C@@](C)(O)CNC(=O)c2ccc(-n3ccnc3)nc2)o1 96440234 ZVOBHEBDFOZZQC-KRWDZBQOSA-N 326.356 1.806 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cccnc1)C2 96039547 VUDCCYSVOXEDQX-PKOBYXMFSA-N 347.459 1.671 0 40 EDAB Cc1nc(CN2CC[C@H]3[C@@H](CC2)OCCN3S(C)(=O)=O)cs1 96249468 NXLSTNJOKLYEQV-UONOGXRCSA-N 345.490 1.076 0 40 EDAB COCCN1CC2(CCN(Cc3ccncc3)CC2)[C@H](COC)C1=O 96207495 IOTDQPXCQANSFZ-QGZVFWFLSA-N 347.459 1.415 0 40 EDAB CN(C)C(=O)COCc1cncc2c1CCN(Cc1ccoc1)C2 96189378 VDJJQUQICYULRC-UHFFFAOYSA-N 329.400 1.838 0 40 EDAB CCN1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(C)cc2)CC1 96181525 QCHPSYYUCLZHCG-ROUUACIJSA-N 345.443 1.057 0 40 EDAB Cc1cc(C)cc(C(=O)N2CC[C@H](N3CCOCC3)C[C@@H]2C(=O)O)c1 96100582 XYYMVNJTUFGVLW-DLBZAZTESA-N 346.427 1.693 0 40 EDAB CN(C)C(=O)CNC(=O)[C@]12CCC[C@H]1CN(Cc1ccccc1)C2 585129207 BJGZNOLBPSMCMG-LPHOPBHVSA-N 329.444 1.493 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(-n2ccnn2)ccc1F 585114363 QHLGOLINSULNAL-WCQYABFASA-N 334.351 1.929 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCc2ncc[nH]2)C1 585134178 GROOOUMXWLEYGB-MRXNPFEDSA-N 338.408 1.178 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 96042261 PEXSSPGCWAMLMH-HRCADAONSA-N 338.429 1.322 0 40 EDAB CN(C)C[C@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 96420833 CJNOOEHZAOLPJT-QZTJIDSGSA-N 331.460 1.298 0 40 EDAB C[C@@H]1CN(C(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)CCS(=O)(=O)C1 249260940 IZGXKNDPJZYTOA-BASLNEPJSA-N 348.468 1.791 0 40 EDAB O=C(Cc1ccccc1)N1CC2(CC[C@H](CN3CCOCC3)CO2)C1 247857426 LCXLHUVNHLGEMS-GOSISDBHSA-N 344.455 1.569 0 40 EDAB COCCN1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC)CC1 245343868 WESBXAPKFOYSAT-IRXDYDNUSA-N 332.444 1.979 0 40 EDAB O=C(Cc1ccsc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257270385 MUANDQNLNHRFJB-OAHLLOKOSA-N 344.427 1.985 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCCn1ccc(-c2cnccn2)n1 253471330 BVWYOICBCVGRRK-AWEZNQCLSA-N 337.383 1.924 0 40 EDAB Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3C(=O)CO)c1 257220103 DJOAMFPHVYCRHI-SJORKVTESA-N 330.428 1.859 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccccn1 257248169 JCKLAHVEPVVPRX-KRWDZBQOSA-N 338.411 1.154 0 40 EDAB Cc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)on1 257272526 NCSVQLAHAKIBFX-ZFWWWQNUSA-N 343.383 1.768 0 40 EDAB COCC(=O)N(c1ccccc1)[C@@H]1COC2(CCN(C(C)=O)CC2)C1 257329403 XJVOREPZNADZIB-KRWDZBQOSA-N 346.427 1.836 0 40 EDAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)COc2cccnc2)n1 257239325 HOUCVBFJUCSDIN-MRXNPFEDSA-N 341.415 1.676 0 40 EDAB COCC(=O)N1CCC(Cc2nccnc2-c2ccnn2C)CC1 257303698 SIIQFSUMZAUBLK-UHFFFAOYSA-N 329.404 1.305 0 40 EDAB CCOc1ccc2nnc(CNC(=O)c3ccc(F)c(F)c3)n2n1 252505458 VRRTZHVYLOKHFB-UHFFFAOYSA-N 333.298 1.731 0 40 EDAB COc1cccc(S(=O)(=O)N2CCOC[C@H]2c2nc(C)c[nH]2)c1 257266262 MCFJSFCCXGUHQT-AWEZNQCLSA-N 337.401 1.489 0 40 EDAB Cc1cc(C(=O)N[C@@H](C(=O)O)[C@@H]2CCCOC2)ccc1-n1cncn1 262777508 LWSOAPLPIAMNGU-UKRRQHHQSA-N 344.371 1.185 0 40 EDAB Cc1cnn(-c2cccc(N3CCC[C@H](NC(=O)N(C)C)C3)n2)c1 1615044498 HJGAMCPIVUAHPU-AWEZNQCLSA-N 328.420 1.816 0 40 EDAB Cc1ncc2n1CC[C@@H](C(=O)NCCS(=O)(=O)CC1CCC1)C2 1615580012 OZDQYGLTBKUXAR-CQSZACIVSA-N 339.461 1.085 0 40 EDAB O=C(NCCn1cnc(C2CC2)cc1=O)c1ccc2c(c1)OCO2 390827434 HCGMCURPZUJBME-UHFFFAOYSA-N 327.340 1.279 0 40 EDAB Cn1ccc(C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 575607074 KMGAMIMVMIDKPF-KRWDZBQOSA-N 327.384 1.966 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[C@@H](C)CO1 69569765 SIHXVYBJNIVQPC-UWVGGRQHSA-N 346.836 1.961 0 40 EDAB CO[C@H]1CN(CC(=O)Nc2ccn(C)n2)CC[C@@H]1Cc1ccccc1 585278294 BOFNOSJHPMETNX-SJORKVTESA-N 342.443 1.938 0 40 EDAB CNc1ncc(CN2CCC[C@@](O)(COc3ccc(C)cc3)C2)cn1 585278390 SFBGZXYMWWEABH-IBGZPJMESA-N 342.443 2.233 0 40 EDAB CCOC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)c2cnn(C)c2C)[C@@H]1C 585141931 IVNJBVLFPSFNNU-DMDPSCGWSA-N 343.449 1.469 0 40 EDAB O=C(c1cccnc1)N1CCN(C(=O)c2ccc3c(c2)COC3)CC1 64393741 NHWHUNVUYRLHHZ-UHFFFAOYSA-N 337.379 1.710 0 40 EDAB Cc1ccccc1S(=O)(=O)NC(=O)[C@H](C)OC[C@@H]1CCCCO1 69343041 QUXVVRDIYRUYEO-KBPBESRZSA-N 341.429 1.774 0 40 EDAB O=C(c1csc(-c2nc[nH]n2)n1)N1CCC[C@@H](n2cccn2)C1 71924413 BDZPXLXKIAVPMD-SNVBAGLBSA-N 329.389 1.602 0 40 EDAB Cc1ccc(CNC(=O)CCN2C(=O)COc3ccccc32)cn1 47557288 WIFIGYKJRMZKCZ-UHFFFAOYSA-N 325.368 1.822 0 40 EDAB CC(=O)NCCNC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 47799694 OCQHPICYFDJWEW-AWEZNQCLSA-N 349.822 1.598 0 40 EDAB COC(=O)CNC(=O)c1ccc(NC(=O)N2CCC23CCC3)cc1 75094195 IXPXCEDCJGNZPT-UHFFFAOYSA-N 331.372 1.750 0 40 EDAB O=C(OCC1(COC(=O)C2CCC2)C(=O)C2CCN1CC2)C1CCC1 95917900 WPCSAFCMQMWWPH-UHFFFAOYSA-N 349.427 1.707 0 40 EDAB O=C([C@H](O)C1CCOCC1)N1CCC(c2nnc3n2CCCC3)CC1 548151996 LULRVNZPVLKMMA-MRXNPFEDSA-N 348.447 1.108 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(c2cncc(Br)c2)C1 97103042 RWSKCUOLTABOLV-JTQLQIEISA-N 334.239 1.362 0 40 EDAB Cc1nn(CC(=O)N2CCCCCC2)c(=O)c2cc3occc3n12 5149202 XUSYEOFFNJPXFY-UHFFFAOYSA-N 328.372 1.953 0 40 EDAB CCn1c(N2CCC[C@@H](C(=O)NCC(=O)OC)C2)nc2ccccc21 12145837 FVYGTQAJBBZOLS-CYBMUJFWSA-N 344.415 1.562 0 40 EDAB Cn1nccc1C1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C2CC2)on1 12224531 LVJDIWYYAOPFCU-NCNPBXTDSA-N 342.399 1.940 0 40 EDAB O=C(C1CCCC1)N1CCC[C@@H](Cn2nnc(-c3cnccn3)n2)C1 12471524 NYXWNXYDHGPTBG-CYBMUJFWSA-N 341.419 1.559 0 40 EDAB C[C@]1(C(N)=O)CCCCN1CC(=O)NC1C2CC3CC(C2)CC1C3 542628057 NNKXDZAIUMVMJW-KGKRJTBASA-N 333.476 1.657 0 40 EDAB CC[C@@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@H]1O 253387331 CJDRUOGAGYHKKD-NHMKWJQOSA-N 326.440 1.555 0 40 EDAB biogenic,world CN(C)[C@H]1CN(Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1O 569775223 HQXJVFLALVRWEW-IRXDYDNUSA-N 330.432 1.106 0 40 EDAB NC(=O)c1ccc(CN2CCN(CCOc3ccccc3)CC2)cc1 23249262 MNVRKAVLACCXJG-UHFFFAOYSA-N 339.439 1.982 0 40 EDAB COCCNC(=O)[C@H](C)Oc1ccc(C(=O)O)cc1Br 13316406 XKJWXWIXQSEJCZ-QMMMGPOBSA-N 346.177 1.677 0 40 EDAB O=C(N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1)C1(F)CCC1 1565552642 QYKNQJSWRFWZAF-HOTGVXAUSA-N 333.407 1.776 0 40 EDAB O=C(NCC1CC1)[C@@H]1C[C@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]1O2 1565553731 CQLIPXBZKTWEFQ-ARFHVFGLSA-N 331.416 1.089 0 40 EDAB OC[C@@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 227262 NKUOWQPBYUKRIM-MFKMUULPSA-N 330.171 1.846 0 40 EDAB Cc1cccc(CN2CCC(C(=O)N(C)C)(n3ccnc3)CC2)n1 2055713229 IYUKXUQTUATJLY-UHFFFAOYSA-N 327.432 1.666 0 40 EDAB C=CC(=O)Nc1ccc(O)c(C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)c1 1528123479 RWYLLGLUMPRVLA-LLVKDONJSA-N 347.415 1.892 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@H](O)c1ccc2c(c1)CCO2 85559499 RZLPMKMSSCFEBM-AWEZNQCLSA-N 346.408 1.149 0 40 EDAB Cc1ccc(CCNC(=O)N2CCCN(C(=O)C3CC3)CC2)cn1 97102928 NBRHPMZZCUAQBC-UHFFFAOYSA-N 330.432 1.586 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H]2NC(=O)c3ccc(C(=O)O)cc3[C@@H]2C1 97758996 XVULRVLHAAESPW-STQMWFEESA-N 332.356 1.831 0 40 EDAB Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(NC(=N)N)=NC1=O 20028249 KIDXKVAJCQDGRC-SECBINFHSA-N 339.808 1.458 0 40 EDAB O=C(NCC(=O)N1CCCC1)c1cc(F)ccc1Br 40485928 KHBVTEFGPUCTQR-UHFFFAOYSA-N 329.169 1.940 0 40 EDAB CCOc1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1OCC 40497129 WNPMRCDRALPCMN-GFCCVEGCSA-N 341.429 1.649 0 40 EDAB O=C(Cn1ccccc1=O)NCc1cc(Cl)c2c(c1)OCCCO2 40464829 SSGHADZORPWCTB-UHFFFAOYSA-N 348.786 1.979 0 40 EDAB O=C(NCCOc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(CC2CC2)C1 40541399 WAYFTHLFGIYSTI-ZDUSSCGKSA-N 346.383 1.169 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)NCCCOC[C@@H]1CCCO1 52168145 WVLNBIVARDRDLH-INIZCTEOSA-N 344.415 1.891 0 40 EDAB Cc1cc(=O)n2nc(N(C)C[C@H]3COc4ccccc4O3)sc2n1 32895070 UPVHPFIXGPJLLQ-NSHDSACASA-N 344.396 1.736 0 40 EDAB Cc1nc(C(=O)N[C@H](C)CN2CCOCC2)nn1-c1ccc(F)cc1 32931049 YSFGQFYKBFOXFX-GFCCVEGCSA-N 347.394 1.165 0 40 EDAB COC(=O)Cc1c(C)c2ccc(OCC(=O)N(C)C)cc2oc1=O 489492 JQPNBQAXZHTGKE-UHFFFAOYSA-N 333.340 1.284 0 40 EDAB CC(C)[C@@H](C(=O)N1CC[C@H](C(N)=O)C1)S(=O)(=O)C1CCCCC1 103071007 GCRBRWXMBARJGQ-JSGCOSHPSA-N 344.477 1.092 0 40 EDAB CC(C)(C)c1noc(CN2C(=O)N[C@](C)(c3ccccn3)C2=O)n1 76696592 NVONGLNHZGFTTJ-MRXNPFEDSA-N 329.360 1.729 0 40 EDAB O=C(CC[C@@H]1CCCO1)NC1CCN(C(=O)c2ccncc2)CC1 53351936 HGUXHTACGLDWBR-INIZCTEOSA-N 331.416 1.762 0 40 EDAB O=C1C[C@H](C(=O)N2CCO[C@H]3CCC[C@@H]32)CN1Cc1ccccc1 53381270 SSIVMORNXWUMNP-ULQDDVLXSA-N 328.412 1.815 0 40 EDAB CC(=O)N1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)CC1 78879803 WBHFBRUMRHFICO-CQSZACIVSA-N 341.433 1.216 0 40 EDAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCCc3cnc[nH]3)C2)n1 79482599 WRZWISGSDFRFPK-CQSZACIVSA-N 328.420 1.392 0 40 EDAB C[C@@H](CNC(=O)Cn1cnc2ccc(F)cc2c1=O)Cn1cccn1 53545042 QOAWHPUXPNGHLL-LBPRGKRZSA-N 343.362 1.185 0 40 EDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 3462343 XWXIFUAVEQNPCG-SFHVURJKSA-N 329.400 1.903 0 40 EDAB O=C(Nc1ccc2c(c1)CCO2)C1=CN2CCS(=O)(=O)N=C2C=C1 23146978 GCRQFIREILZQJG-UHFFFAOYSA-N 345.380 1.058 0 40 EDAB CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(C)s1 6679824 YEFXSVSQPYJPED-SNVBAGLBSA-N 346.474 1.606 0 40 EDAB CCCn1nnnc1COC(=O)c1cncn1-c1ccc(F)cc1 7030331 VHJTZRHEKGLJON-UHFFFAOYSA-N 330.323 1.765 0 40 EDAB O=C(Nc1ccccc1)[C@H]1CCCN(C[C@@H](O)CN2CCOCC2)C1 104888308 WLXHYBMTFXDOHP-WMZOPIPTSA-N 347.459 1.030 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)c1 23508391 NNHZXWFFNKTLEZ-UHFFFAOYSA-N 340.445 1.278 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(Cc2ccncc2)CC1 54678430 PMJCNBQUIVFSFI-UHFFFAOYSA-N 333.823 1.735 0 40 EDAB CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 24095481 YHAPDEFRKKOCKZ-BHYGNILZSA-N 343.379 1.580 0 40 EDAB COc1ccc(NC(=O)CCN2CCC[C@@H]2C(=O)NC2CC2)cc1 54988873 WBSXNMKTWAIFIB-MRXNPFEDSA-N 331.416 1.767 0 40 EDAB CC(=O)Nc1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1 105739708 KWMUEFYRAZCABQ-IEPNIYFGSA-N 344.436 1.619 0 40 EDAB COc1ccc(/C=c2\s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)c(OC)c1 105739950 PKEKNURVHWYCMW-KQXCDQHBSA-N 347.436 1.678 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)CCc1nc(-c2ccncc2)no1 55209354 VKKZALNZTVFWDJ-CQSZACIVSA-N 329.404 1.665 0 40 EDAB O=C1COc2cc(C(=O)Nc3ccc(-n4ccnc4)nc3)ccc2N1 24905453 LYFSNGXDPLXVCE-UHFFFAOYSA-N 335.323 1.851 0 40 EDAB COc1ccc([C@@H](CNC(=O)[C@H]2COCCO2)N2CCCCC2)cc1 48079766 VYBFHLCUOSGVGC-QZTJIDSGSA-N 348.443 1.754 0 40 EDAB C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CC[C@H](C(N)=O)C1 48034653 HALNXDUVSJMYJZ-YJBOKZPZSA-N 343.471 1.663 0 40 EDAB Cc1cccc(O[C@H](C)C(=O)NCc2cccc(S(N)(=O)=O)c2)c1 25269261 RDYMKZMEIPVZBL-CYBMUJFWSA-N 348.424 1.726 0 40 EDAB O=C([C@@H]1CCN(c2cc(F)cc(F)c2)C1=O)N1CCSCC1 56013033 SRDTWIHSFKNOPK-ZDUSSCGKSA-N 326.368 1.893 0 40 EDAB CNC(=O)c1ccc(=O)n(CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 107316689 ZUJXNWWFDBVAJE-UKTARXLSSA-N 331.416 1.149 0 40 EDAB CCCn1c(=O)c2sccc2n(CC(=O)NCc2ccco2)c1=O 57478796 GXRGHDYJWMNOEZ-UHFFFAOYSA-N 347.396 1.544 0 40 EDAB COCCOC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 1892778 NFUFEBJJLCGRAX-SECBINFHSA-N 337.401 1.167 0 40 EDAB CC1(C)S[C@H]2[C@H](NC(=O)/C=C\c3ccccc3)C(=O)N2[C@H]1C(=O)O 104310908 PESMSDATOHZVBN-YIXXOJGJSA-N 346.408 1.332 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)c12 48274803 XCSWUYPKBIZPNI-INIZCTEOSA-N 349.412 1.716 0 40 EDAB COc1cc(N2CCO[C@H]3CC[C@H]2[C@H]3Oc2ncccc2F)ncn1 107721969 DSHJWUYQHJBRFQ-HEHGZKQESA-N 346.362 1.835 0 40 EDAB O=C(CN1CCN(Cc2cscn2)CC1)NCc1ccccc1F 58265109 WBCCWHJZJYDYIM-UHFFFAOYSA-N 348.447 1.716 0 40 EDAB O=C(C1CCC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 58247661 YRSQVZTUKHSUCX-UHFFFAOYSA-N 348.428 1.196 0 40 EDAB CCOC(=O)CN(CCOC)CC(=O)Nc1cc(C(C)C)no1 58201739 BGIQDDSYPODWKI-UHFFFAOYSA-N 327.381 1.248 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)N[C@@H](CCO)C(C)(C)C)c1 58245261 MWBKDORRVDLSQZ-ZDUSSCGKSA-N 332.408 1.796 0 40 EDAB CC1(C)[C@H]2C(=N)[C@@H](C(=O)c3ccccc3)SC(=O)[C@H]1C(=O)NC2=O 103151185 NPTYILQQMHRYQT-CWSCBRNRSA-N 344.392 1.446 0 40 EDAB Cc1noc(CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1 44938141 NHRICKQUVGFGKJ-UHFFFAOYSA-N 344.776 1.918 0 40 EDAB CC(C)CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20244998 CGBRENSUSDCRGJ-UHFFFAOYSA-N 331.413 1.211 0 40 EDAB CCc1nnsc1C(=O)NCc1ccccc1N1CCOCC1 58305560 WPGFMGRVIFDUQB-UHFFFAOYSA-N 332.429 1.867 0 40 EDAB Cc1ccc(S(=O)(=O)C2(C(=O)NCc3cc[nH]n3)CCC2)cc1 58392490 MIXJCXGTNCACEY-UHFFFAOYSA-N 333.413 1.731 0 40 EDAB COc1cc2ncn(CCCC(=O)N3CCCC3)c(=O)c2cc1OC 10745210 IQOSQUKHEKRXNA-UHFFFAOYSA-N 345.399 1.816 0 40 EDAB CN(C)C(=O)Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 48383450 CUSVJBCHXQUODK-HUUCEWRRSA-N 330.384 1.923 0 40 EDAB COc1cc(NC(=O)c2ccc[n+]([O-])c2)ccc1N1CCCC1=O 22476770 VCHFVVVTERGYOK-UHFFFAOYSA-N 327.340 1.708 0 40 EDAB C[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1ccc2c(c1)NC(=O)CO2 46385866 UZTGEZXEDJHILV-SNVBAGLBSA-N 327.340 1.207 0 40 EDAB O=C(NCc1ccccc1)C1CCN(CN2CCOC2=S)CC1 12815121 YBXARVLQFUCFFR-UHFFFAOYSA-N 333.457 1.589 0 40 EDAB Cc1ccccc1[C@H](C)NC(=O)NC1CCN(S(C)(=O)=O)CC1 12983811 JTOGFBHWLMTRCJ-ZDUSSCGKSA-N 339.461 1.779 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OC(F)F 13006970 XZDXVBDVMNHKNG-MRVPVSSYSA-N 335.328 1.670 0 40 EDAB CC(C)(C)C(=O)NCC(=O)NCc1cccc(NC(=O)C2CC2)c1 8876697 AUAJABZPAZXYOT-UHFFFAOYSA-N 331.416 1.814 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC(N(C)C)CC2)cc1OC 65436788 MACIOVYNGALPQD-UHFFFAOYSA-N 328.434 1.419 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(-n2cnnn2)c1 14138276 ZGXVFYTVRFKUCF-UHFFFAOYSA-N 337.339 1.962 0 40 EDAB CC(=O)NCCNC(=O)COc1ccc(F)cc1Br 6507245 WGJZIAUXQMPICB-UHFFFAOYSA-N 333.157 1.219 0 40 EDAB Cn1ncc2c(N3CCC(NC(=O)c4ccccc4)CC3)ncnc21 14301959 MXXHMHRFFXBYBP-UHFFFAOYSA-N 336.399 1.762 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1=O 66083243 MIDYPCXYMOOLHJ-MAUKXSAKSA-N 345.399 1.211 0 40 EDAB Cc1ccccc1-c1nnc(SCC(=O)N2CCNC2=O)n1C 5859276 OCLHULKGSHRUFD-UHFFFAOYSA-N 331.401 1.434 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)NCCSCc1ccco1 6933304 FJCQZBCQXLWISQ-UHFFFAOYSA-N 344.392 1.925 0 40 EDAB COc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2nnc(C)s2)n1 4999480 STGPMROWIPSOGC-YFKPBYRVSA-N 327.391 1.058 0 40 EDAB CCOC(=O)c1sc(NC(=O)CCN2C(=O)CCC2=O)nc1C 15608205 OYPDZFFUEYSBSO-UHFFFAOYSA-N 339.373 1.106 0 40 EDAB CC(C)c1ccc2c(c1)[C@H](NC(=O)Cn1ccccc1=O)C(=O)N2 96013649 HSVBKLMOOHSVNL-KRWDZBQOSA-N 325.368 1.781 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc3ccccc3s2)C1=O 7473310 DZCATCAHSLCCNZ-MRXNPFEDSA-N 344.396 1.955 0 40 EDAB CN1CCN(c2ccc(NC(=O)c3cn4cccnc4n3)cc2)CC1 68232232 LBEUYZHTIUCQFI-UHFFFAOYSA-N 336.399 1.733 0 40 EDAB O=C(CN1CCN(C(=O)[C@H]2COc3ccc(F)cc3C2)CC1)C1CC1 90632599 FCGQDTVGOPVVFB-OAHLLOKOSA-N 346.402 1.500 0 40 EDAB CC(C)(C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 7758920 AAQOOVPQAHSSEL-UHFFFAOYSA-N 326.418 1.692 0 40 EDAB O=C(NCCc1nc2ccccc2[nH]1)N1CC[C@](O)(C(F)(F)F)C1 81478475 PHSAAXDYCNSTPL-CQSZACIVSA-N 342.321 1.814 0 40 EDAB O=C(Nc1nccs1)[C@H]1CCCN1S(=O)(=O)N1CCCCC1 69378164 FYKJODUQVAESNS-LLVKDONJSA-N 344.462 1.277 0 40 EDAB Cc1ccc(CN2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)cc1 17072445 OHTQTTNZOFLHRZ-UHFFFAOYSA-N 348.472 1.543 0 40 EDAB CCOC(=O)N[C@H](C(=O)Nc1nc(CC(=O)OC)cs1)C(C)C 69419651 VAKPWEPBFBSQHQ-NSHDSACASA-N 343.405 1.568 0 40 EDAB O=C(Cn1[nH]c(=O)ccc1=O)Nc1cccc(/C=C/c2ccccn2)c1 9515467 GROJIVGWRQVJFO-BQYQJAHWSA-N 348.362 1.741 0 40 EDAB C[C@H](NC(=O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1)C1CC1 69527539 MHFOILZVQQKEDT-BBRMVZONSA-N 336.457 1.373 0 40 EDAB Cc1nc2n(n1)C[C@@H](N[C@H](C(=O)N1CCCC1)c1ccccc1)CC2 69654962 FUIPVCYPSKVUFT-WMZOPIPTSA-N 339.443 1.855 0 40 EDAB COC(=O)N[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(C)C 69704411 UHLWXEGRIBTEOF-HOTGVXAUSA-N 333.432 1.758 0 40 EDAB CC1CCN(C(=O)[C@H](C)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 69897046 MDIIKAJCLHVJMO-QWHCGFSZSA-N 349.397 1.728 0 40 EDAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCN(CCO)CC2)no1 69816145 DIEPGIZVYARQKQ-KRWDZBQOSA-N 344.415 1.273 0 40 EDAB CC(C)(NCc1cccc2c1OCCCO2)C(=O)N1CCC(O)CC1 69813050 HFIXCILJMYJFCA-UHFFFAOYSA-N 348.443 1.699 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1 69968828 CLZMYXGAZGGBMU-MRXNPFEDSA-N 346.406 1.540 0 40 EDAB O=C(NCc1cc[nH]n1)N[C@@H]1CCCN(c2cccc(F)c2)C1=O 69974595 AEOAZTBTRFLJQB-CQSZACIVSA-N 331.351 1.544 0 40 EDAB COC(=O)CCCCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 69973411 OCXNQNMKDIOXEU-RHSMWYFYSA-N 347.415 1.451 0 40 EDAB COCCN1CC[C@@H](NC(=O)c2cccc(Br)c2)C1 71886537 RDFRDIMKUXQPQD-CYBMUJFWSA-N 327.222 1.900 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(Cc3ccncc3)CC2)cn1 71830438 GNIYPIMISWOJNF-DLBZAZTESA-N 325.416 1.263 0 40 EDAB CNS(=O)(=O)c1c[nH]c(C(=O)NCC2(c3ccccc3)CC2)c1 71841996 XNVNXUBPVNKVSA-UHFFFAOYSA-N 333.413 1.384 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](NCc1cnc(N3CCCC3)nc1)CC2 71877301 QSZHOPCMGUZBFA-OAHLLOKOSA-N 341.463 1.896 0 40 EDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccc(-n2cccn2)nc1 71803739 GEQGLFNVPRTAFF-UHFFFAOYSA-N 349.354 1.093 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2cc(C)nn2C)C(N)=O)cc1 71841582 VWSWZYWSJAFYFA-CQSZACIVSA-N 344.415 1.201 0 40 EDAB COc1ccc(CNC(=O)Cn2nnc3ccccc32)cc1C(=O)O 83952999 OSPBMJRZABKINC-UHFFFAOYSA-N 340.339 1.455 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)nc2)s1 95351510 QUJBALZESNXUTJ-UHFFFAOYSA-N 341.414 1.797 0 40 EDAB CCN(C[C@H]1CN(Cc2nnc(C3CC3)o2)CCO1)c1cccnn1 84774694 CLEKEKWCOSMPBL-CQSZACIVSA-N 344.419 1.464 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)CN2CCO[C@H](c3nc(C)n[nH]3)C2)c1 84146277 RMYYOXLBUCFTSW-RDJZCZTQSA-N 346.431 1.543 0 40 EDAB O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1cn[nH]n1 97011308 SBZMUQUSFOSRTO-UHFFFAOYSA-N 330.323 1.633 0 40 EDAB Cc1nc(C2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)no1 97019132 OMYHVDBAXKSHOE-MRXNPFEDSA-N 326.400 1.799 0 40 EDAB O=S(=O)(NC[C@@H]1CCOC1)c1ccc(Br)cc1F 97096061 SMCMJPWPCOTSDE-QMMMGPOBSA-N 338.198 1.903 0 40 EDAB CC[C@@H]1CN(Cc2cc(=O)n3cc(C)ccc3n2)CCN1C[C@@H](C)O 84736478 GIQHMLNSLHAKLW-NVXWUHKLSA-N 344.459 1.280 0 40 EDAB CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cc1 72235002 QOEIQMIIWONARY-AWEZNQCLSA-N 348.428 1.549 0 40 EDAB CCNS(=O)(=O)c1ccc(NC[C@H](c2ccco2)N(C)C)nc1 72275435 INNYQWRAYOXAIQ-CYBMUJFWSA-N 338.433 1.688 0 40 EDAB CCN(C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 97141897 ZTUWFVCZXWVJLB-JYJNAYRXSA-N 331.464 1.682 0 40 EDAB COCCNC(=O)COC(=O)c1cc(C2CC2)nc2onc(C)c12 97134610 AUELVJKNMPNKMM-UHFFFAOYSA-N 333.344 1.328 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N(C)CCc2cnccn2)c1 95457547 IHESPXRRZFGVOR-UHFFFAOYSA-N 337.401 1.357 0 40 EDAB O=S(=O)(C[C@@H](O)CNCc1cc(F)cc(F)c1)c1cccs1 95440172 HRTTXZFKAXXHIT-ZDUSSCGKSA-N 347.408 1.951 0 40 EDAB CCN1CCN(C(=O)CC2CCN(C(=O)c3cc[nH]c3)CC2)CC1 68448750 CGRHWLKBKQVGLY-UHFFFAOYSA-N 332.448 1.421 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCN(Cc2ccon2)CC1)c1ccco1 73443339 DLXYGFUBQHPYNY-HNNXBMFYSA-N 347.419 1.398 0 40 EDAB Cc1ncc([C@H](C)NCCNS(=O)(=O)c2ccccc2)c(C)n1 95967497 UTIUQKNIDAAGJO-LBPRGKRZSA-N 334.445 1.723 0 40 EDAB COc1ncccc1C(=O)NCc1ccnc(N2CCOCC2)c1 25291565 YVTWJVNWPPKOIW-UHFFFAOYSA-N 328.372 1.252 0 40 EDAB C[C@H](NC(=O)N[C@H](Cn1cncn1)c1ccccc1)c1cnn(C)c1 95962792 YCHQREMBCHDZNG-XJKSGUPXSA-N 339.403 1.813 0 40 EDAB CN(C)C1CCN(C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 89314076 NQYYFUAKSUQBMN-UHFFFAOYSA-N 347.463 1.154 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)n1 75092438 QBTWFQCQYOYZLA-IINYFYTJSA-N 348.369 1.845 0 40 EDAB Cc1ccccc1OC[C@H](O)CN1CCN(c2ccncc2)CC1 89696705 HMNBBOGZFJOIGN-GOSISDBHSA-N 327.428 1.952 0 40 EDAB CNC(=O)c1cccc(CCNC(=O)N2CCOC[C@@H]2C2CC2)c1 89901328 XANZMHFUWUTMKV-MRXNPFEDSA-N 331.416 1.409 0 40 EDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408609470 TURBOPONXBZPAN-ZDUSSCGKSA-N 340.445 1.765 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1CC[C@](C(=O)O)(c2ccccc2)C1 1549072533 OPGHRPHVSNRAOS-LJQANCHMSA-N 341.411 1.916 0 40 EDAB O=C(NC[C@@H]1CCCN(C(=O)N2CCOCC2)C1)c1ccccc1 176501006 SFVGHACRHIFTOY-HNNXBMFYSA-N 331.416 1.581 0 40 EDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc(Cl)s1 547548664 PCZYHARTXTZEGV-SFYZADRCSA-N 339.822 1.560 0 40 EDAB O=C(NC1CC1)c1nnc2n1CC[C@H]1CN(Cc3cccs3)C[C@@H]21 306133886 MYNXUSTZKHWTMX-SMDDNHRTSA-N 343.456 1.851 0 40 EDAB O=C(O)[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)C2CC2)CC1 530165786 VHRXQJBLINYVQQ-CQSZACIVSA-N 342.392 1.061 0 40 EDAB NC(=O)CCc1cccc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 72360484 PHPQDNWRJKLUJD-OAHLLOKOSA-N 338.411 1.914 0 40 EDAB CCn1nc(C)c(S(=O)(=O)Nc2cc(C(N)=O)ccc2C)c1C 72239089 YUOKKGKXLPLJPQ-UHFFFAOYSA-N 336.417 1.728 0 40 EDAB O=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1nc2ncccn2n1 36618784 GEBHEBBAXHJFRO-UHFFFAOYSA-N 337.318 1.761 0 40 EDAB Cc1cc(Nc2cnccn2)nc([C@H]2CCN(C(=O)CN(C)C)C2)n1 72382584 OUFPTBZDRYICES-ZDUSSCGKSA-N 341.419 1.196 0 40 EDAB Cc1cnn(-c2ccc(S(=O)(=O)Nc3cnccn3)cc2F)c1 137258695 QSIDVXLHFSHKIB-UHFFFAOYSA-N 333.348 1.911 0 40 EDAB COc1cccc([C@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCCO3)c1 72227683 BLOSDCBOTFCRPR-IRXDYDNUSA-N 326.352 1.882 0 40 EDAB O=C(c1cc(Cn2cccn2)on1)N1CCOC[C@H]1CC1CCC1 564080455 ISCYGRQYLMYEQU-CQSZACIVSA-N 330.388 1.951 0 40 EDAB CC(C)N1CCC(O)(c2csc(CN3CCN(C)CC3)n2)CC1 225472110 KHZSKMADLRSSRV-UHFFFAOYSA-N 338.521 1.582 0 40 EDAB biogenic,in-vitro O=S(=O)(/C=C/c1ccccc1)N1CC[C@@H](Oc2cnccn2)C1 225797133 LDTHBMBHVMCCRD-XKOZXHHJSA-N 331.397 1.930 0 40 EDAB O=C1CCSC[C@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)N1 226753960 GKGNTBIZFWWQJP-CQSZACIVSA-N 347.440 1.483 0 40 EDAB Cc1nnc(CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)n1C 81686982 MWRTWSRQAUELMC-OAHLLOKOSA-N 331.395 1.543 0 40 EDAB Cn1cc([C@H]2OCC[C@@H]2NC(=O)NCC(C)(C)c2ccncc2)cn1 190343978 USGUYDCGAPJSHR-JKSUJKDBSA-N 343.431 1.922 0 40 EDAB Brc1ccc(Cn2cnc([C@@H]3COCCN3)n2)s1 569686576 RCKFTQCUBKBRJK-VIFPVBQESA-N 329.223 1.811 0 40 EDAB COc1ccc([C@@H](CC(=O)N2CCCC2)NS(C)(=O)=O)cc1 225956712 YFSPWRBMQVKYPC-CQSZACIVSA-N 326.418 1.298 0 40 EDAB COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1CN(C)C 574919238 RQWKRZKYBAWVJF-HNNXBMFYSA-N 343.431 1.751 0 40 EDAB CCc1cnc(CCNS(=O)(=O)c2ccc(C(=O)O)o2)s1 571281436 XUTMXVZZCTZOKL-UHFFFAOYSA-N 330.387 1.518 0 40 EDAB Cc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)cc1 224219832 RHOYYLYYCHMSDR-UHFFFAOYSA-N 327.388 1.943 0 40 EDAB COc1ccc2nnc(C(=O)NCc3ccc4c(c3)OCO4)nc2c1 46088312 OGIZAMVQYLATPZ-UHFFFAOYSA-N 338.323 1.692 0 40 EDAB O=C(O)[C@@H]1CN(S(=O)(=O)c2cc3cc(F)ccc3o2)CCO1 571997023 OPOGROKLFJRVML-NSHDSACASA-N 329.305 1.046 0 40 EDAB COc1ccccc1OCc1cn(CC(=O)Nc2ccccn2)nn1 227161052 HSPRDDHGYJIQBM-UHFFFAOYSA-N 339.355 1.899 0 40 EDAB CNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 223078217 OUMCPPXZARYRRH-UHFFFAOYSA-N 332.794 1.352 0 40 EDAB Fc1cnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1 292662597 HFYJCIWGCBYUOZ-UHFFFAOYSA-N 340.366 1.417 0 40 EDAB CC(C)[C@@H](N)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 96481217 IERCRIZCSOLRAB-OAHLLOKOSA-N 337.851 1.998 0 40 EDAB O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccccn3)C[C@H]21)N1CCCCO1 96058296 IPYXVRCPXFSZMI-FGTMMUONSA-N 345.443 1.863 0 40 EDAB CCN(CC)Cc1cnc2n1CCN(C(=O)N1CCOCC1)CC2 96196838 HQLYYSAZQCZMAB-UHFFFAOYSA-N 335.452 1.035 0 40 EDAB CN(C)C(=O)CN1CCCC[C@]12CCN(C(=O)c1ccccc1)C2 96203133 IVUCKNKLUUDDGL-LJQANCHMSA-N 329.444 1.845 0 40 EDAB Cc1cncc(C(=O)N2CC[C@@H]3[C@@H](CO[C@@H]3Cc3n[nH]c(C)n3)C2)c1 96206222 PFYQFUGAHZIWCH-BZUAXINKSA-N 341.415 1.536 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)N1CCc2ccccc2[C@@H]1CO 96475195 DXOLHXNNABONBK-SFHVURJKSA-N 342.443 1.881 0 40 EDAB COC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2ccnn2C1 96188912 YPQVHKCJAQAYDV-CQSZACIVSA-N 335.429 1.659 0 40 EDAB Cn1cnnc1CN1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F 97238107 TXYPKDRTOBHTDE-ZDUSSCGKSA-N 339.321 1.507 0 40 EDAB Cc1nc2ccccc2n(CCCNC(=O)[C@H]2CCO[C@@H]2C)c1=O 96495237 YLQURPZTZOYGGH-KGLIPLIRSA-N 329.400 1.636 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccsc2)Cc2cncn2C1 96209192 MMZIGUYONFRWFU-HNNXBMFYSA-N 348.472 1.681 0 40 EDAB CN(C)C(=O)CO[C@@H]1CN(Cc2ccccc2F)[C@@H]2CCCO[C@H]12 96042377 ALBXJZCLPMYNRQ-NUJGCVRESA-N 336.407 1.662 0 40 EDAB Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 96489120 MJRDIJXZTKKXKI-HYVNUMGLSA-N 342.420 1.711 0 40 EDAB O=C(NCCN1C(=O)c2cccnc2C1=O)c1cccc(Cl)c1 244005314 SHPFPCFLNYCSBH-UHFFFAOYSA-N 329.743 1.761 0 40 EDAB Cn1nccc1C(=O)NCC[C@H]1CCOC12CN(Cc1ccco1)C2 248019436 HFYWGASZGIBICT-AWEZNQCLSA-N 344.415 1.424 0 40 EDAB CCS(=O)(=O)N1CC[C@](O)(CN(C)Cc2ccc(F)cc2)C1 257220522 DLCRFYOHFBGXIN-HNNXBMFYSA-N 330.425 1.044 0 40 EDAB OC1(O)CCN(CCCc2nc(-c3ccccc3)no2)CC1(F)F 585116211 LLZUMPRANWMTNJ-UHFFFAOYSA-N 339.342 1.691 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1O)c1cscn1 257275895 NRKOPHRJSGRLOY-TZMCWYRMSA-N 339.367 1.396 0 40 EDAB COCC(=O)N1CCOC[C@@H](Cc2ccc3c(ccn3C(C)=O)c2)C1 257277415 NXWISTOPQBFLAA-INIZCTEOSA-N 344.411 1.965 0 40 EDAB CCCn1nc(C)c(C(=O)N2CCO[C@H](c3cnccn3)C2)c1C 257223426 DXIBPRHQTYYCNI-HNNXBMFYSA-N 329.404 1.914 0 40 EDAB Cc1ccnc([C@H]2CCN(C(=O)c3ccc4oc(=O)n(C)c4c3)C2)n1 257291277 QGIJVCUCTSCNKW-ZDUSSCGKSA-N 338.367 1.860 0 40 EDAB CSc1c[nH]nc1NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 252492389 MKRDIFXAAINKAR-UHFFFAOYSA-N 340.430 1.634 0 40 EDAB C[C@H]1c2nc(C(=O)N3CC=CC3)cn2CCN1CC1CCOCC1 253592365 VPKMQUAXEYGUHL-AWEZNQCLSA-N 330.432 1.698 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CCCCC2)C[C@H]1c1ccccc1 257247498 IZGWHMKKYKYGQW-SFHVURJKSA-N 329.444 1.904 0 40 EDAB COCC(=O)N1CC[C@H](Cc2nccnc2-c2c(C)n[nH]c2C)C1 257289088 PWXXADXFKOYFLX-CYBMUJFWSA-N 329.404 1.521 0 40 EDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)c2cnc(C3CC3)nc2)[C@H]1O 257204340 AUBWMSRGCVITSG-RBSFLKMASA-N 327.388 1.353 0 40 EDAB O=C(c1cc2c(s1)CCC2)N1CC[C@](O)(CN2CCOCC2)C1 257292223 QKOBKMNDVVIWRD-KRWDZBQOSA-N 336.457 1.146 0 40 EDAB COC(=O)c1cccc(-c2noc(CN3CCCC[C@@H](O)C3=O)n2)c1 591651313 OGHPKWNSLWGLBQ-CYBMUJFWSA-N 345.355 1.397 0 40 EDAB CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cn(CCN2CCOCC2)nn1 1615056421 XEJWHDPWUUPGMY-NVXWUHKLSA-N 349.479 1.651 0 40 EDAB Cc1cc(C)n(-c2cncc(N3CCN(C)[C@]4(CCOC4)C3)n2)n1 1615589474 HPWSHNNTVGXVCM-QGZVFWFLSA-N 328.420 1.190 0 40 EDAB CC[C@H](Oc1ccccc1F)C(=O)NC[C@H](O)[C@H]1COC(C)(C)O1 1615606495 ZLYNCUNPDRHVDS-KCQAQPDRSA-N 341.379 1.612 0 40 EDAB COc1cccc([C@@H](CNC(=O)C(=O)NCc2ccco2)OC)c1 96390428 ISIANSQXAZHSJG-OAHLLOKOSA-N 332.356 1.408 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 575405652 TWOSGAJXVYCYGF-VXGBXAGGSA-N 338.404 1.723 0 40 EDAB CCOC[C@H]1CN(C)C2(C1)CN(C(=O)COc1ccccc1OC)C2 585093915 PEYUCRFYMHRUNU-OAHLLOKOSA-N 348.443 1.643 0 40 EDAB Cc1cc(CN2Cc3ccnn3CC[C@H]2CN2CCOCC2)n(C)n1 585098386 XIJDQZHPLZYCSL-INIZCTEOSA-N 344.463 1.032 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)Cn3ccnc3C)C2)c1 585275374 AXSLLGZPZLMTDU-GOSISDBHSA-N 329.400 1.542 0 40 EDAB CNc1cc(C(=O)N2CC[C@H](O)[C@H](Cc3cccc(F)c3)C2)ccn1 585277059 RTBRZIMXTWCWJO-WBVHZDCISA-N 343.402 2.328 0 40 EDAB Cc1nc2ccccn2c1CC(=O)N1CC[C@@]2(CCCO2)C(=O)C1 585289320 PPWADESJLNHELT-SFHVURJKSA-N 327.384 1.536 0 40 EDAB O=C(c1n[nH]c2c1CCC2)N1Cc2ccnn2C[C@H](OCC2CC2)C1 585099014 AXYPDANTVBCYHO-CQSZACIVSA-N 341.415 1.546 0 40 EDAB CCNC(=O)CN1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 29670383 ASPNJWKZOJEHRK-UHFFFAOYSA-N 347.394 1.129 0 40 EDAB C[C@@H]1CCCN(C(=O)CNc2cccc(OCC(=O)N(C)C)c2)C1 55871849 DYDJYXRQSUVRIJ-CQSZACIVSA-N 333.432 1.824 0 40 EDAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N[C@H]1CCCNC1=O 78973259 OSANPEPWLUSMKY-AWEZNQCLSA-N 347.806 1.985 0 40 EDAB O=C(NCCCN1CC=CC1)Nc1ccc(N2CCOCC2)nc1 101445270 WVEQFVMRBPNZOW-UHFFFAOYSA-N 331.420 1.302 0 40 EDAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NCCCS(C)(=O)=O)C2 102384120 QAXOGJHJTUQRFH-KBPBESRZSA-N 346.493 1.941 0 40 EDAB C[C@H](NC(=O)NCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCCO1 41274012 RICCXOOFTIJYOD-SMDDNHRTSA-N 326.418 1.457 0 40 EDAB COCCNC(=O)CCNC(=O)c1ccc(C)cc1Br 97229703 AIEUDSYVXBCUFK-UHFFFAOYSA-N 343.221 1.640 0 40 EDAB COc1cccc(S(=O)(=O)N2CCC3(CC2)CC(=O)N(C)O3)c1 1549166479 FJYVXODXEBLJAC-UHFFFAOYSA-N 340.401 1.012 0 40 EDAB CC(=O)N1CCC(N2C[C@H]3[C@@H](C2)OCC(=O)N3c2ccccc2)CC1 213616122 LUEFDERFXSOCNN-ZWKOTPCHSA-N 343.427 1.114 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)CC[C@H](N)C(=O)OC(C)(C)C 145726727 LXJPCBMDEAVASB-NSHDSACASA-N 345.440 1.077 0 40 EDAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC 5006634 HBCPTEMOOGTEPM-YRNVUSSQSA-N 334.328 1.160 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 5016604 AWOGCZKRBUAWAP-UHFFFAOYSA-N 346.836 1.639 0 40 EDAB Cc1nc2cc([C@H]3CCCCN3C(=O)[C@@H]3CCOC3)nn2c(O)c1F 12337838 LPWLDGJNJPNMPF-DGCLKSJQSA-N 348.378 1.973 0 40 EDAB O=C(Cn1cccnc1=O)N[C@H](Cc1ccsc1)c1ccccn1 19400974 FQNBTZHVNHBHSI-OAHLLOKOSA-N 340.408 1.800 0 40 EDAB COc1nn(C)cc1C(=O)NCC1CCN([C@@H]2CCSC2)CC1 225567870 SMOTWUHSAMIMJJ-CYBMUJFWSA-N 338.477 1.376 0 40 EDAB Cc1nc(N2CCCC2)cc(N2CCN(c3nnc(C)s3)CC2)n1 1859823785 NQTBMBSSYKMMPI-UHFFFAOYSA-N 345.476 1.872 0 40 EDAB CN=c1[nH]c([C@@H]2CCCN2C(=O)c2cnccn2)c2sccn12 2037838584 PINBKFRXNMHSMT-NSHDSACASA-N 328.401 1.627 0 40 EDAB COC(=O)c1ccccc1NC(=O)c1c(OC)cc(=O)n2c1CCC2 253404243 QWFNEYUNMZXCSM-UHFFFAOYSA-N 342.351 1.842 0 40 EDAB O=C(c1ccsc1)N1CCOC2(CCN(C(=O)C3CC3)CC2)C1 967687099 MPTDGEUHJGFFDQ-UHFFFAOYSA-N 334.441 1.992 0 40 EDAB O=C(N1Cc2nccn2C[C@@H](CN2CCOCC2)C1)C1(F)CCC1 1614948302 UPNRNBWEUAFBDM-CQSZACIVSA-N 336.411 1.066 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC(OC[C@H]2CCOC2)C1 1565522195 CVOJMGWVQRKACD-ZDUSSCGKSA-N 341.429 1.430 0 40 EDAB O=C(NC[C@@H]1OC[C@@H]2CN(C(=O)C3(F)CC3)CC[C@@H]21)c1ccncc1 1565549357 QAZQLADCGUJLEX-KKUMJFAQSA-N 347.390 1.177 0 40 EDAB O=C(c1cccs1)N1CCO[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 1565542488 GSJIWVQRVKBDBI-RDTXWAMCSA-N 342.420 1.873 0 40 EDAB Cc1ccc(CNC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1 5352130 BKTUNVQMKKRXEF-HNNXBMFYSA-N 332.400 1.413 0 40 EDAB CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)NC(C)C)c1=O 13959480 SWJIYZPUCRVWGW-UHFFFAOYSA-N 331.420 1.441 0 40 EDAB O=S(=O)(N[C@@H]1CCc2onc(CN3CCCC3)c2C1)C1CC1 2055739267 PGPJYWKZAXJSEY-LLVKDONJSA-N 325.434 1.210 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(c2nc3cnccc3s2)CC1 2086865027 BNJZQPSYQOYVJN-LBPRGKRZSA-N 333.461 1.726 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCc1ccnc(N2CCCC2)n1 206725091 JIJIQTNMLACEQE-UHFFFAOYSA-N 339.399 1.123 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCC[C@H](Oc2ncccn2)C1 575613041 NXHMANMOCOMXJZ-ZDUSSCGKSA-N 349.412 1.717 0 40 EDAB Cn1cc(-c2noc(CNc3ncc(Br)cn3)n2)cn1 575615574 FMNOATNODXXFCV-UHFFFAOYSA-N 336.153 1.635 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(CC3(O)CCCCC3)CC2)n1 2298184005 NRQPTFHWCLUXIC-UHFFFAOYSA-N 333.480 1.668 0 40 EDAB NC(=O)[C@H]1CCCCN1CC(=O)N1CCC(Cc2ccccc2)CC1 40465845 JSKIHTSEGGJDID-GOSISDBHSA-N 343.471 1.808 0 40 EDAB CNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 159977 WCTPFJCMKQNLRV-UHFFFAOYSA-N 326.765 1.938 0 40 EDAB O=C(NCc1ccnc(-n2cccn2)c1)[C@@H]1CC(=O)N(CC2CC2)C1 40510792 HPLHZWWWVPRSPP-OAHLLOKOSA-N 339.399 1.142 0 40 EDAB COCc1ccccc1CNS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 40501668 ROEMIYNZJHRFGS-BETUJISGSA-N 328.434 1.277 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2nnc(C)s2)c1 40526498 HMZSGSXMJVJPKD-NSHDSACASA-N 338.389 1.719 0 40 EDAB O=S(=O)(NCCCn1cncn1)c1ccc(Cl)c(Cl)c1 40515911 XOVAMGBAKLHRRP-UHFFFAOYSA-N 335.216 1.954 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 20548695 NUANHMFWMWBFGM-BNVDUDBASA-N 341.411 1.535 0 40 EDAB C[C@H]1CN(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)O1 20939087 HIHHEVCPQVCIIZ-JZXOWHBKSA-N 331.460 1.486 0 40 EDAB C/C(Cl)=C/Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 334524 HMAKMWSBOOMVRN-XQRVVYSFSA-N 347.600 1.339 0 40 EDAB COC[C@H](C)NC(=O)COC(=O)CSc1nc2ccccc2o1 32945123 GNMSAUUKEYZOHC-JTQLQIEISA-N 338.385 1.614 0 40 EDAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cn[nH]c2)CC1 32934421 HJYRREFAPWEYNC-UHFFFAOYSA-N 341.415 1.423 0 40 EDAB C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CC(N)=O 52831253 BOMZRKYFUWLLOR-JTQLQIEISA-N 342.237 1.213 0 40 EDAB CCN(C(=O)NCCc1ccc(C)nc1)[C@H](C)CS(C)(=O)=O 72281529 XKRBITNLXFXMPH-CYBMUJFWSA-N 327.450 1.397 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N1CCC(CN2CCOCC2)CC1 47028358 SOMYGGXRNKJCSO-OAHLLOKOSA-N 335.452 1.025 0 40 EDAB CCCc1n[nH]c([C@H]2CN([C@@H](C)C(=O)Nc3cc(C)on3)CCO2)n1 78893306 OMXUHYYVMRQBEQ-NWDGAFQWSA-N 348.407 1.454 0 40 EDAB Cc1noc([C@@H](C)NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)n1 79822954 ZTONFOZQTKQOSS-ZJUUUORDSA-N 327.348 1.470 0 40 EDAB CC(C)(CNC(=O)CN1CCc2sccc2C1)N1CCOCC1 22549729 KKBVFIHFBJFNPL-UHFFFAOYSA-N 337.489 1.333 0 40 EDAB NS(=O)(=O)c1ccc(CC(=O)N(Cc2ccco2)C2CC2)s1 42041381 DFXORICAWCQUOB-UHFFFAOYSA-N 340.426 1.722 0 40 EDAB CC[C@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 42145752 SHVRMGXXDUEXFK-INIZCTEOSA-N 331.464 1.637 0 40 EDAB C[C@H](NC(=O)NCC(F)(F)F)c1ccc(S(N)(=O)=O)cc1 54091109 RMGXMWJACQVWFF-ZETCQYMHSA-N 325.312 1.257 0 40 EDAB NC(=O)c1cnc(NCc2ccc(S(N)(=O)=O)s2)c(Cl)c1 54043124 VJMRWQRSXCLOEF-UHFFFAOYSA-N 346.821 1.155 0 40 EDAB Cc1ccc(OCCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 23074811 RGMFGVCJWWBLFR-UHFFFAOYSA-N 345.399 1.355 0 40 EDAB CCOC(=O)CNC(=O)CSc1nnc(-c2cccc(C)c2)o1 4189073 HPKWQVYSGZEEMV-UHFFFAOYSA-N 335.385 1.816 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)c1 4505194 ZSOPGLYMRVJQMI-AWEZNQCLSA-N 331.459 1.501 0 40 EDAB CCN(CC)S(=O)(=O)NCc1ccc(OC(F)F)c(OC)c1 23402771 DMICQTHBZDDLIJ-UHFFFAOYSA-N 338.376 1.973 0 40 EDAB Cc1cnc2n1CCN(C)C21CCN(C(=O)c2cccnc2)CC1 105122653 DMERKTBXIYJXBF-UHFFFAOYSA-N 325.416 1.663 0 40 EDAB CC(C)C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1Cc2ccccc2O1 42727117 PPNBKOIWWQKVPG-ZIAGYGMSSA-N 340.445 1.070 0 40 EDAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccco2)c2ccccc21 101444990 GVDCNAAOSYIFNY-AWEZNQCLSA-N 327.340 1.120 0 40 EDAB O=C1NC(=O)[C@@H](CC(=O)N2CCC(c3nc4ccccc4o3)CC2)N1 42813633 MIGNQGVOMMIJDO-GFCCVEGCSA-N 342.355 1.132 0 40 EDAB CC[C@H]1CN(Cc2nc(-c3cccnc3)no2)CCN1C[C@H](C)O 106908717 UVYPXAPKLHEBEI-ZFWWWQNUSA-N 331.420 1.409 0 40 EDAB CN1N=C(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)CCC1=O 56096955 CFXREJWUBBTSKZ-UHFFFAOYSA-N 348.366 1.943 0 40 EDAB Cc1cc(C)cc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 72287084 FXQWWHDIHGUHID-UHFFFAOYSA-N 342.399 1.611 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CCc2c(Cl)cccc21 55713610 AOOMBSOKVKESMY-AWEZNQCLSA-N 342.848 1.174 0 40 EDAB COC[C@@H](C)NC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 57886873 SBIZPTBHWIOITF-SNVBAGLBSA-N 340.811 1.433 0 40 EDAB COCC(=O)N1CCN(C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 57861532 PIWWRWUOMRVJQO-CQSZACIVSA-N 341.452 1.177 0 40 EDAB C[C@H]1CCCCN1CCNC(=O)C1CCN(c2ncccn2)CC1 44533230 NKDUPQKZEWFEHX-HNNXBMFYSA-N 331.464 1.684 0 40 EDAB C[C@H]1CCCN(CCCNC(=O)c2cccnc2N2CCOCC2)C1 48231060 ZRGIKRKPDCTMTN-INIZCTEOSA-N 346.475 1.770 0 40 EDAB C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 58279572 VBENGQVRURLJRY-DOMZBBRYSA-N 335.433 1.862 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)NCCOc1ccc2c(c1)OCO2 44953860 NDINHFGHWQBUAD-UHFFFAOYSA-N 337.763 1.919 0 40 EDAB O=C(NCc1ccnc(-n2cccn2)c1)NC1CCN(C2CC2)CC1 44953203 LGRPKNIVAGEBRA-UHFFFAOYSA-N 340.431 1.693 0 40 EDAB COc1cccc([C@@H](CNc2nn3c(=O)ccnc3s2)N(C)C)c1 44974563 DYEPRWQWGOQMQO-CYBMUJFWSA-N 345.428 1.874 0 40 EDAB CC(C)(C)NC(=O)c1ccc(C(=O)Nc2cnn(CC(N)=O)c2)cc1 58369911 SXUWSCVXMCZRLE-UHFFFAOYSA-N 343.387 1.149 0 40 EDAB CC(C)Oc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 58355604 WGKKWDHHHLSPMR-UHFFFAOYSA-N 341.433 1.328 0 40 EDAB Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)no1 45007635 WCESELUTQUFMCW-UHFFFAOYSA-N 339.373 1.921 0 40 EDAB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 102907993 CBWQETBNSAFLAK-TXEJJXNPSA-N 349.408 1.958 0 40 EDAB CCOc1ccccc1N1CCN(C(=S)NCCN(C)C)CC1 3365516 ZJYKMRMGXFCYFQ-UHFFFAOYSA-N 336.505 1.643 0 40 EDAB Cc1ccccc1-n1cnnc1SCC(=O)NC[C@@H]1CCCO1 11152768 NITGGVCWVRHYIY-ZDUSSCGKSA-N 332.429 1.963 0 40 EDAB CCN1CCN([C@@H](C)CNC(=O)Nc2ccc(C(=O)OC)cc2)CC1 48332746 TVQMTBWITXABLK-AWEZNQCLSA-N 348.447 1.621 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC(=O)NCC(C)C)c1C 3524562 NKEAQCOUCOIIQW-UHFFFAOYSA-N 337.376 1.473 0 40 EDAB COc1c([C@@H]2CCCN2CC(=O)Nc2nccs2)c(C)nn1C 72253725 ZLUBXFZLCJOFCD-NSHDSACASA-N 335.433 1.969 0 40 EDAB Cc1sc(NC(=O)C2CC2)c(C(=O)N2CC[C@H](C(N)=O)C2)c1C 63842834 IVFRVAFQWZIZSH-NSHDSACASA-N 335.429 1.661 0 40 EDAB C[C@H]1CN(C(=O)c2cn(Cc3cccc(Cl)c3)nn2)CCN1C 64045025 SWJJYAQSNJPHOF-LBPRGKRZSA-N 333.823 1.756 0 40 EDAB C[C@H](NCc1nnc2n1CCCC2)C(=O)N1CCc2sccc2C1 72299685 MINFQBSPOFKPCG-LBPRGKRZSA-N 345.472 1.739 0 40 EDAB Cc1noc2ncc(C(=O)N3CCCN(C[C@@H]4CCCO4)CC3)cc12 65379310 OKWNEYUDCFFAJR-HNNXBMFYSA-N 344.415 1.858 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)COc2ccccc2F)CC1 65495741 ZNHHJLMGMLMUJQ-HNNXBMFYSA-N 349.406 1.145 0 40 EDAB CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)CN1CSCC1=O)C2 97198302 VKESXIBMJRHWSC-LLVKDONJSA-N 336.461 1.145 0 40 EDAB COCCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1 65517132 ODCWJOLXWKZVLH-GJZGRUSLSA-N 349.431 1.111 0 40 EDAB Cc1ccc([C@H](O)CNCc2c(C)nn(C)c2N2CCOCC2)cc1 65531057 IHGDTJDWGXVLFV-GOSISDBHSA-N 344.459 1.697 0 40 EDAB COc1cc(C(=O)N(C(C)C)C(C)C)cc(OC)c1OCC(N)=O 65588693 LDRACTZOAHSRPF-UHFFFAOYSA-N 338.404 1.827 0 40 EDAB CC[C@@H](C)NC(=O)Nc1nc(CN2CCNCC2)nc2ccccc12 65588786 CAAIMHWYNLDQAZ-CYBMUJFWSA-N 342.447 1.955 0 40 EDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)CCc1nc(-c2cccs2)no1 65622694 KHBWQKSPTQXCOC-CQSZACIVSA-N 348.428 1.714 0 40 EDAB COc1cc(C(=O)NCC(=O)N2CCCCC2)cc(OC)c1OC 14245378 OMYYXCFQEGEEBY-UHFFFAOYSA-N 336.388 1.455 0 40 EDAB Cc1nc2ccc(Cl)cc2cc1C(=O)OCc1nc(N)nc(N)n1 9335883 GJUIKUPFVMGJBB-UHFFFAOYSA-N 344.762 1.903 0 40 EDAB Cc1cccnc1-n1c(SCC(N)=O)nc2ccccc2c1=O 5922108 XMSSPNHWQPBBPM-UHFFFAOYSA-N 326.381 1.667 0 40 EDAB CC[C@H](C)c1ccccc1OCC(=O)NC1CCN(CC(N)=O)CC1 71796187 ZNPZTRVCJJJLQL-AWEZNQCLSA-N 347.459 1.645 0 40 EDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2C)c2ccccc2O1 7252578 GZHUOGGHAMPQHX-KRWDZBQOSA-N 339.395 1.947 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 15615171 ABJZELHSDJXZBV-NSHDSACASA-N 329.356 1.338 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(C(=O)NC2CCC(O)CC2)cc1 15616508 DIYQBYALBNSYCU-UHFFFAOYSA-N 340.445 1.407 0 40 EDAB CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cn(C)c(=O)n(C)c1=O 96429914 RSRXCWNMKDWRAJ-AWEZNQCLSA-N 348.447 1.017 0 40 EDAB CNC(=O)NC(=O)[C@@H](OC(=O)Cc1csc(C)n1)c1ccccc1 7783680 UPBXSIHBJLZQKU-AWEZNQCLSA-N 347.396 1.734 0 40 EDAB CS(=O)(=O)CCCn1cnc2cccc(Br)c2c1=O 90991492 RMIFAUHYTWFGSE-UHFFFAOYSA-N 345.218 1.594 0 40 EDAB NC(=O)c1ccccc1OCC(=O)N[C@H]1CCOc2ccccc21 7964747 GGZWPLNKEZSUQT-AWEZNQCLSA-N 326.352 1.804 0 40 EDAB CC(C)(C)N1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 71818506 PLYYYYPHFZLDRD-UHFFFAOYSA-N 343.431 1.124 0 40 EDAB NC(=O)CC1CCN(C(=O)NCCOc2ccc(F)c(F)c2)CC1 71882551 XBGZWVKNCHJDHQ-UHFFFAOYSA-N 341.358 1.641 0 40 EDAB O=C(Cn1ncn2nccc2c1=O)N(c1ccccc1)C1CCCC1 71899983 BYTRBIAZOCOACN-UHFFFAOYSA-N 337.383 1.867 0 40 EDAB Cc1cc(NC(=O)[C@H](C)OC(=O)Cn2c(C)csc2=O)no1 8172694 KKAONYRLJUVNGU-VIFPVBQESA-N 325.346 1.085 0 40 EDAB C[C@@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)C(N)=O 71813357 ZFCBCJRZXYDASU-SNVBAGLBSA-N 328.397 1.595 0 40 EDAB O=C(NCCn1ccnn1)N[C@H]1CCCN(c2ccccc2Cl)C1 97083000 INNIZMRGEFXHBT-ZDUSSCGKSA-N 348.838 1.900 0 40 EDAB Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](C)CCCC(C)C)cn1C 69373088 FGPMSLZXMPBZSJ-LBPRGKRZSA-N 344.481 1.338 0 40 EDAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccccc1 69342981 XBSISYFNGMQLDL-OLZOCXBDSA-N 327.402 1.466 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N1CC[C@@H]2CCCC[C@H]2C1 8368802 YFUQOYSTNDQPOG-KBPBESRZSA-N 326.400 1.830 0 40 EDAB O=C1[C@@H](NC(=O)C2(O)CCC2)CCN1c1ccc(C(F)(F)F)cc1 97097431 KUKHQVKTQYZKOM-LBPRGKRZSA-N 342.317 1.842 0 40 EDAB Cc1nc(C2(NC(=O)CCCCN3CCOCC3)CCCC2)no1 69452433 JMDDKFZNMRYWNT-UHFFFAOYSA-N 336.436 1.766 0 40 EDAB CCCCn1nnnc1CN1CCN([C@H](C)c2nc(C)no2)CC1 69418143 NCJNOQUYNWSDFH-GFCCVEGCSA-N 334.428 1.043 0 40 EDAB COc1ccc([C@H]2C[C@@H]2NC(=O)NCC(C)(C)N2CCOCC2)cc1 69442768 IZGDRIMODAEDOE-SJORKVTESA-N 347.459 1.961 0 40 EDAB CC[C@@H](C)[C@@](C)(O)CNC(=O)CCN1C(=O)c2ccccc2C1=O 71916755 GQJQAYNESMAKSN-XIKOKIGWSA-N 332.400 1.586 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N[C@H](c1ccccc1)c1nccn1C 71903357 UXZJGOLGRZAGKJ-UKRRQHHQSA-N 349.456 1.839 0 40 EDAB O=C1CCCN1CCCN1CCN(C[C@@H](O)c2ccccc2)CC1 69652266 JIUXFPDNUZHEQK-GOSISDBHSA-N 331.460 1.350 0 40 EDAB CCOC(=O)NCCC(=O)NC1(C(=O)OCC)Cc2ccccc2C1 69744039 RZJLNBYSHIYTFK-UHFFFAOYSA-N 348.399 1.340 0 40 EDAB Cn1c(=O)n(Cc2ccccn2)c(=O)c2ccc(C(F)(F)F)nc21 69819324 BLKSQICMLGLHRV-UHFFFAOYSA-N 336.273 1.557 0 40 EDAB Cc1noc([C@H](C)NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)n1 69812490 VLTVXJPOCJEMTK-ONGXEEELSA-N 340.449 1.893 0 40 EDAB CN(Cc1cnn(-c2ccccc2)c1)Cn1nc2ccccn2c1=O 9691273 VHPJOKYODWQRAQ-UHFFFAOYSA-N 334.383 1.771 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 69917526 PTIHAUUUJFAVAL-JSGCOSHPSA-N 336.461 1.480 0 40 EDAB CN(c1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 9704734 VIUZQUGTXVPWDG-UHFFFAOYSA-N 344.392 1.749 0 40 EDAB CN(CCCN1C(=O)NC(C)(C)C1=O)[C@H]1CCCc2c1cnn2C 95432456 IKBYIUMYNJAYFS-ZDUSSCGKSA-N 333.436 1.450 0 40 EDAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(-n3ccnc3)nc2)c1C 95962209 KOXCREIITPTGHX-UHFFFAOYSA-N 346.416 1.901 0 40 EDAB CN1CCCN(CC(=O)N[C@@H]2CCCCNC2=O)c2cc(F)ccc21 75145381 HRVOTTXTLOMSOQ-CQSZACIVSA-N 348.422 1.257 0 40 EDAB O=C1NC[C@H](C(=O)NCc2cccc(COCc3ccccc3)c2)N1 89836705 WBJKSWABOSPRAL-QGZVFWFLSA-N 339.395 1.701 0 40 EDAB NS(=O)(=O)C[C@@H]1CCCN(Cc2nnc(-c3cccs3)o2)C1 89800098 SDSCCECXGDRZPN-SNVBAGLBSA-N 342.446 1.299 0 40 EDAB CN(CC(=O)OC1CCCCCC1)S(=O)(=O)c1cccnc1 75484427 YNJPXPOPTHOUKR-UHFFFAOYSA-N 326.418 1.968 0 40 EDAB CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N1CCN(CCO)CC1 75572709 XMEKLMXFCKVKMR-INIZCTEOSA-N 342.386 1.505 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 65405143 IOHUMCAIXIPUJP-VIFPVBQESA-N 340.326 1.386 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 57235 LBXHRAWDUMTPSE-NXEZZACHSA-N 345.852 1.895 0 40 EDAB biogenic,world C[C@@H](O)C1CCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)CC1 187649386 TVDRUNNLPVWTMC-SNVBAGLBSA-N 326.343 1.314 0 40 EDAB COc1ccnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)n1 603380297 AICCGNPVVXVEBH-UHFFFAOYSA-N 341.419 1.202 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NCc3nncn3C(C)C)cn2)n1 79001385 GAGFNMFWLWRHRZ-UHFFFAOYSA-N 339.403 1.987 0 40 EDAB COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 35597541 JMLWQJDATVTHPV-UHFFFAOYSA-N 338.385 1.469 0 40 EDAB CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C[C@@H]3C(=O)O[C@H](C)[C@@H]3[C@H]2C(=O)O)C1 504000835 IYJNBOZDJDFHBC-BIMSSTTISA-N 339.388 1.800 0 40 EDAB COCCNc1ccc(C[C@H]2CCCN(Cc3noc(C)n3)C2)nn1 72387345 MXAQQFCHDCXZMO-CQSZACIVSA-N 346.435 1.681 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(CCN(C)C)[C@H](C)C2)cc1 36075930 KPXHOLANEHQTMJ-HZPDHXFCSA-N 339.505 1.640 0 40 EDAB COC(=O)[C@@H]1CC(=O)N(c2cccc(I)c2)C1 216873631 WQNROHCBNHLRNU-MRVPVSSYSA-N 345.136 1.817 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1C 76958473 FXPCSNGAUUZJGD-CVEARBPZSA-N 338.473 1.886 0 40 EDAB Cc1ccc(C(=O)NCc2ccnc(N3CCOCC3)n2)c(C)c1 224215253 HKPBRDGXCQNHOD-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB C[C@@]1(C(=O)NCC(=O)N2CCCCC2)Sc2ccccc2NC1=O 40808165 QPRTUKIFCOHTNI-KRWDZBQOSA-N 347.440 1.618 0 40 EDAB O=C(CN1C[C@@H](O)C[C@@H]1c1ccccc1)NCC(=O)c1cccs1 570024518 DLUNJTKWCOYHPC-LSDHHAIUSA-N 344.436 1.855 0 40 EDAB C[C@@]1(C(=O)NCCn2ccnc2)Oc2ccc(Cl)cc2NC1=O 41548700 PULAIVCFRWIAMD-HNNXBMFYSA-N 334.763 1.443 0 40 EDAB O=C(O)CN1CCC(NS(=O)(=O)c2cnc3ccccc3c2)CC1 571051190 PHKNBDGYQUMCHM-UHFFFAOYSA-N 349.412 1.062 0 40 EDAB CCN1CCN(C[C@@H](C)CNC(=O)N2CCOC3(CCC3)C2)CC1 130062069 IERCDPBZBRESER-INIZCTEOSA-N 338.496 1.225 0 40 EDAB CCn1cc([C@H]2CN(c3nnc(-c4ccon4)s3)CCO2)cn1 225473672 KVSIGWIWGVDLQU-GFCCVEGCSA-N 332.389 1.987 0 40 EDAB Cc1ccccc1CN1CCN(c2ncnc3c2NC(=O)CN3)CC1 41121536 LNZSNFYUCSINDR-UHFFFAOYSA-N 338.415 1.471 0 40 EDAB C[C@H]1CN(c2ncc3c(n2)CN(C[C@H]2CCCO2)C3=O)C[C@@H](C)O1 226136491 XKOWQOAPRIFBIG-FRRDWIJNSA-N 332.404 1.225 0 40 EDAB CCOc1ccc(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1 224239118 NINVJKQZHFPNJT-UHFFFAOYSA-N 336.417 1.420 0 40 EDAB NC(=O)CCc1nc(-c2ccc(I)cc2)no1 225837128 BOCZICIZPKMBMF-UHFFFAOYSA-N 343.124 1.759 0 40 EDAB CCCCOc1ccc(C(=O)CN2C(=O)N[C@]3(CCOC3)C2=O)cc1 225443421 YSTOFWZFCNUEQL-SFHVURJKSA-N 346.383 1.759 0 40 EDAB c1cnc(N[C@H]2COC3(CCN(Cc4csnn4)CC3)C2)cn1 96074294 HXWJCUOYVLLBBO-GFCCVEGCSA-N 332.433 1.564 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@]3(CCN(c4ncccn4)C3)C2)no1 96202333 NLTCUBHXAFOURF-QGZVFWFLSA-N 343.387 1.142 0 40 EDAB O=C1NC2(CCN(C(=O)c3ccoc3)CC2)C[C@@H]1c1ccncc1 96199550 WHGGBEIRGNFHIA-OAHLLOKOSA-N 325.368 1.953 0 40 EDAB Cc1nc(N2CCCC2)nc2c1CCN(Cc1nccn1C)CC2 96254730 LDCKKQODPPDYLP-UHFFFAOYSA-N 326.448 1.720 0 40 EDAB O=C(N[C@@H]1CN(C2CCOCC2)C[C@@H]2CCCO[C@@H]21)c1ccno1 96040655 BOGLYFHDOVWGBK-BJJXKVORSA-N 335.404 1.063 0 40 EDAB CN1CCN(C(=O)C2(O)CCCCC2)C[C@H]1c1nc(C2CC2)no1 583621263 GIVCVFWMVXNLFR-ZDUSSCGKSA-N 334.420 1.457 0 40 EDAB CC(C)n1cc([C@]2(O)CCCN(S(=O)(=O)CCC3CC3)C2)nn1 583616306 FYTMVKAYGOPQMT-HNNXBMFYSA-N 342.465 1.272 0 40 EDAB Cc1nc(CNC(=O)NCc2ccc(Cn3cccn3)cc2)no1 96437740 NEFKEOTYTATOLA-UHFFFAOYSA-N 326.360 1.622 0 40 EDAB Cn1ncc2c1[C@@H](COCC1CC1)N(C(=O)c1cccnc1)CC2 96197789 KSCOILWRGDDPFV-MRXNPFEDSA-N 326.400 1.981 0 40 EDAB CN(C)C[C@]12COC[C@H]1CN(C(=O)c1ccnc3ccccc13)C2 96206641 QWUXINRKSVEHET-KUHUBIRLSA-N 325.412 1.885 0 40 EDAB CNC(=O)c1nc2c(s1)CCN(C(=O)c1ccc(OC)cc1)CC2 96146964 DKMIVYNECIRFBU-UHFFFAOYSA-N 345.424 1.752 0 40 EDAB O=C(c1cscn1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 96067055 WODQDMGFDWYWMZ-LBPRGKRZSA-N 328.401 1.509 0 40 EDAB C[C@H](CNC(=O)c1ccc(Cl)cc1O)CN1CCN(C)CC1 96449861 DRBWHEMILSOJIH-GFCCVEGCSA-N 325.840 1.659 0 40 EDAB Cc1cnc(NC(=O)[C@@H]2CCCN(c3ccc4nnnn4n3)C2)s1 95473307 PWOYAGIUTXAUIX-SNVBAGLBSA-N 344.404 1.139 0 40 EDAB CS[C@H]1CCC[C@H](NC(=O)CN2CCN(c3ccccn3)CC2)C1 96436612 KNSDIIXIPJWMOH-HOTGVXAUSA-N 348.516 1.994 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccco1)C2)c1cccnc1 96108504 HTLISDDATYXPMJ-QAPCUYQASA-N 327.384 1.553 0 40 EDAB CCOC(=O)c1cnc(N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)nc1C 585092082 DIVFOOHMYXYCTK-YUELXQCFSA-N 335.404 1.328 0 40 EDAB O=C(c1ccncn1)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 247807062 BYENVVCDXNTGCO-GFCCVEGCSA-N 344.346 1.463 0 40 EDAB CCn1cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)CN(C)C)cn1 585115216 RLPSXQZDWPVMTG-HIFRSBDPSA-N 328.482 1.644 0 40 EDAB O=C(CCc1cn[nH]c1)NC[C@@H](c1cccs1)N1CCOCC1 585124261 DQAYZKSJCBNDAA-AWEZNQCLSA-N 334.445 1.594 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)n1 257281222 OOEBNUDAGISGMP-CQSZACIVSA-N 329.404 1.065 0 40 EDAB COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)N[C@H](C)C[S@](C)=O)C2 252511068 ZSYXGLMYLKJONB-LOIKJUDNSA-N 330.450 1.128 0 40 EDAB Cc1cc(C)c(N2CC[C@H](N3CCN(CCO)[C@@H](C)C3)C2=O)c(C)c1 252536818 JPZLPRDFSHRVDW-ROUUACIJSA-N 345.487 1.716 0 40 EDAB CC(=O)N1CCN(Cc2ccccc2Cl)C[C@H](C(=O)N(C)C)C1 257335253 YJIMRECHDZHBQC-HNNXBMFYSA-N 337.851 1.709 0 40 EDAB Cc1cnc(C(=O)N2CC3(C[C@@H](Oc4cccnc4)CS3)C2)cn1 253601350 PWQVFCLGCBAHOJ-CQSZACIVSA-N 342.424 1.959 0 40 EDAB Cc1nccc(C(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)n1 257288963 PWLBYHXNYPXRMY-KRWDZBQOSA-N 327.388 1.921 0 40 EDAB CN(C)c1cccc([C@@H]2CN(C(=O)CN3CCCCC3)CCO2)n1 257253802 KAIYYPJZFSXNGJ-INIZCTEOSA-N 332.448 1.533 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](c3ccnc(N(C)C)c3)C2)nc(O)n1 257251348 JQJOWEZVSRJMSH-AWEZNQCLSA-N 341.415 1.971 0 40 EDAB COc1ccc(CN(C)C(=O)CN2CCc3cncnc3C2)cc1 69598174 XHTBOCWZORZXOG-UHFFFAOYSA-N 326.400 1.502 0 40 EDAB COc1ccc(CN2CCN(C3CCOCC3)C[C@@H](C(N)=O)C2)cc1 257241625 HYUVNRVYXQJREH-INIZCTEOSA-N 347.459 1.093 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)[C@@H](CO)c2ccc(F)cc2)C1 252488055 IIDVITFNSKXVGW-SJORKVTESA-N 338.423 1.375 0 40 EDAB O=S1(=O)N=C(Cn2nnc(-c3ccccc3)n2)Nc2ccccc21 69521366 BUGYTNVHHQZPQX-UHFFFAOYSA-N 340.368 1.553 0 40 EDAB CCn1nccc1-c1cc(C)nc([C@H]2CCCN2S(C)(=O)=O)n1 257273402 NGLCIVVGIDPZRN-CQSZACIVSA-N 335.433 1.765 0 40 EDAB CN(C[C@@]1(O)CCN(c2ccccn2)C1)C(=O)Cc1ccsc1 257224754 FDFKLJJYUKWBFK-KRWDZBQOSA-N 331.441 1.785 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3cnc4ccccc4n3)CC2)no1 69660937 KHOBJCOUMQDQID-UHFFFAOYSA-N 338.371 1.279 0 40 EDAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CC(N2C(=O)CNC2=O)C1 390825793 CPOIJMCTIIHODA-UHFFFAOYSA-N 341.289 1.011 0 40 EDAB CCc1ccc(S(=O)(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)cc1 575421185 NINQNERYHJXPNA-CQSZACIVSA-N 331.459 1.447 0 40 EDAB Cc1cc(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)nn1C 575411013 VOWXAWOJAWUQSW-SNVBAGLBSA-N 325.365 1.669 0 40 EDAB Cc1noc(C)c1C(=O)N1CCCn2ncc(C(=O)NC3CC3)c2C1 585110911 YPGTZEBAKNXWGH-UHFFFAOYSA-N 343.387 1.426 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)c2cnc[nH]2)[C@H]1Cc1cccc(F)c1 585274887 QUDHLOBWEHFJFK-RDJZCZTQSA-N 344.390 1.901 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)/C=C/c2ccc(Cl)cc2)[C@@H]1O 585287018 RAHDUKVGEATRQQ-DPSMGAKISA-N 325.792 1.586 0 40 EDAB C[C@H]1c2nc(CC(=O)N3CCCC3)cn2CCN1C(=O)[C@H]1C[C@H]1C 585097450 KEFCFGBSRRAWFR-IPYPFGDCSA-N 330.432 1.607 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2cncn2[C@@H](C(=O)NCc2ccco2)C1 585096034 NPHMIGNOBJKGBF-KCPJHIHWSA-N 328.372 1.332 0 40 EDAB Cc1c(I)nc(I)n1C 675032228 VJQXJVDCUSRCDQ-UHFFFAOYSA-N 347.925 1.938 0 40 EDAB O=C(NCCNc1cnccn1)[C@H]1CC(=O)N(Cc2ccccc2)C1 47492426 JQCDOROTTHURLM-HNNXBMFYSA-N 339.399 1.053 0 40 EDAB 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O=C1C[C@@]2(CCN(S(=O)(=O)c3cccnc3)C2)Oc2ccccc21 96025587 ZGRHZKSNOQCKAR-QGZVFWFLSA-N 344.392 1.880 0 40 EDAB Cc1ccc(-c2noc(CCCN3CCN(CCO)CC3)n2)cc1F 69656280 JQMOFQYKLNIUHD-UHFFFAOYSA-N 348.422 1.727 0 40 EDAB CC(C)CCS(=O)(=O)Nc1ccc(N2CCN(C)CC2)nc1 69696405 XJHUORYDYYJSOP-UHFFFAOYSA-N 326.466 1.621 0 40 EDAB C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cccnc3)cn2)C[C@@H](C)O1 69600564 XFVYYQJWTOJDHM-CHWSQXEVSA-N 348.428 1.891 0 40 EDAB Cc1cc(CN2Cc3ccnn3[C@@H](COc3ccccn3)C2)n(C)n1 585112090 KVTMBSQWULBYIK-QGZVFWFLSA-N 338.415 1.956 0 40 EDAB O=C(Cc1ccncc1)N1CC[C@](O)(COc2cccc(F)c2)C1 585275824 FVQKNSIJMYPRNL-GOSISDBHSA-N 330.359 1.806 0 40 EDAB COc1cc(CCC(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@H]32)on1 583652895 OAGPKUPPGATODV-VNHYZAJKSA-N 347.415 1.475 0 40 EDAB biogenic Cc1ncc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2)[nH]1 585097809 QPDCJCAJVCTSAB-CQSZACIVSA-N 328.420 1.425 0 40 EDAB CC1(CNC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)CCCC1 66596360 KWUFMDOFNYRFDG-CVEARBPZSA-N 339.480 1.603 0 40 EDAB O=C(c1ccc(SCCN2C(=O)CCC2=O)nc1)N1CCCC1 44646442 ZAAZODOSZSORLB-UHFFFAOYSA-N 333.413 1.559 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCC2(N3CCOCC3)CCC2)c1 1776009427 ZZRSOIMUSPWGBO-UHFFFAOYSA-N 338.473 1.837 0 40 EDAB COc1ccc(Cl)cc1CNC(=O)NC[C@@H]1CCS(=O)(=O)C1 48265223 JROALENZKRHPCB-JTQLQIEISA-N 346.836 1.583 0 40 EDAB COc1cccc(C(=O)N[C@@H]2CCCCNC2=O)c1OC(F)F 56977648 DBTUHTQSIBKEMQ-SNVBAGLBSA-N 328.315 1.695 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 54703881 PLPRZBDPPKOEQQ-CJNGLKHVSA-N 329.400 1.120 0 40 EDAB O=S(=O)(NCCc1cn2ccccc2n1)c1cccc2nonc12 89878890 ORLMIGCWOANCBY-UHFFFAOYSA-N 343.368 1.392 0 40 EDAB O=C1CCN(C(=O)NCc2nccn2CCc2ccccc2)CCN1 83751841 KEZVCCSVEIEJJH-UHFFFAOYSA-N 341.415 1.157 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 83882417 UUURXLYBKSWPPC-UHFFFAOYSA-N 335.429 1.423 0 40 EDAB C[C@H]1CN(S(=O)(=O)N(C)Cc2ccc(F)cc2F)C[C@H](C)O1 40493329 OUJMZXVRAGPOKV-QWRGUYRKSA-N 334.388 1.751 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC(=O)Nc3cc(C(=O)O)ccc32)cc1 547911158 LNNPREJNUYJYJM-UHFFFAOYSA-N 346.364 1.841 0 40 EDAB CC(C)n1cc([C@]2(O)CCN(Cc3nc(C4CCCC4)no3)C2)nn1 583618314 NOUWAOXZILZFOV-KRWDZBQOSA-N 346.435 1.993 0 40 EDAB COc1ccccc1[C@@H]1CN(C2COC2)C[C@]12CCCCC(=O)N2 1614962771 PEWAOORJOIVRJB-QFBILLFUSA-N 330.428 1.922 0 40 EDAB CS(=O)(=O)c1snnc1C1CCN(Cc2ccncc2)CC1 12121308 NSPWRBGQGYPPOQ-UHFFFAOYSA-N 338.458 1.716 0 40 EDAB COc1ccc(-c2ocnc2C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 12328875 KLAVWOSVTJIZEX-GFCCVEGCSA-N 329.356 1.688 0 40 EDAB CCOC(=O)Nc1ccc2c(c1)nc(CNC(=O)[C@@H]1CCCO1)n2C 13691163 GBHAJHVBGIWRNB-AWEZNQCLSA-N 346.387 1.937 0 40 EDAB CN(C)c1ncc(-c2ccncc2)c(CCNC(=O)[C@@H]2CCCO2)n1 19585332 ZTSBHBVCESEXQM-INIZCTEOSA-N 341.415 1.442 0 40 EDAB CC(C)(F)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 157181201 MZSLTWMFTZFRRD-UHFFFAOYSA-N 342.436 1.845 0 40 EDAB Cc1ccc(Nc2cccc(C(=O)NC[C@H](O)C3CCC3)c2)nn1 572218424 FBJIOLIYEOONRJ-INIZCTEOSA-N 326.400 2.419 0 40 EDAB COCCNC(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1 585129710 SFZWTLYIWNOEIA-UHFFFAOYSA-N 341.839 1.460 0 40 EDAB CC(C)Cn1c(N)c(C(=O)CSc2ccccn2)c(=O)[nH]c1=O 10555308 ALHUQTBGCDRDCR-UHFFFAOYSA-N 334.401 1.145 0 40 EDAB C[C@@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)N1CCCC1 4250372 YCGRGAWZXHLIJE-GFCCVEGCSA-N 343.383 1.410 0 40 EDAB Cc1nc(N2CCO[C@H](C(=O)N3CCCC3)C2)c2ccncc2n1 1888859496 FNANMGVIVKDTSJ-HNNXBMFYSA-N 327.388 1.161 0 40 EDAB O=S(=O)(NCC1CCN(C2CCOCC2)CC1)c1cccnc1 239808069 KFTBXDXYSSFSPA-UHFFFAOYSA-N 339.461 1.251 0 40 EDAB O=S(=O)(c1c[nH]cn1)N1CC[C@H](Oc2cccc3cccnc23)C1 245015251 LTDLKUQMXMPRKF-ZDUSSCGKSA-N 344.396 1.800 0 40 EDAB CC(=O)N1CCC(N2CCCC[C@H]2c2cc(O)n3ccnc3n2)CC1 2037846600 TXGPIKAJPDZBMO-INIZCTEOSA-N 343.431 1.973 0 40 EDAB C[C@@]1(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)CC=CCC1 1565545481 HBJZJXLLDOXLIS-MAUKXSAKSA-N 340.431 1.880 0 40 EDAB COc1ccc(C(=O)N2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)c(OC)c1 1565549388 QLMOYWDMOWOSEC-AEFFLSMTSA-N 346.427 1.639 0 40 EDAB O=C1CCc2cc(S(=O)(=O)NCc3ccco3)cc3c2N1CC3 5153549 MKONJKGMDVEDCQ-UHFFFAOYSA-N 332.381 1.593 0 40 EDAB CCOC(=O)c1c(SCC(=O)N2CCCCC2)nc(=O)[nH]c1C 5251669 IBZUGHSSZHWFIE-UHFFFAOYSA-N 339.417 1.360 0 40 EDAB CCc1nnc2ccc(N3C[C@H]4CN(c5cnccn5)C[C@@H]4C3)nn12 2086865940 BZKIZJQUUHWZNZ-STQMWFEESA-N 336.403 1.049 0 40 EDAB O=C(CSCc1ccccc1)NC[C@@H](O)Cn1ccccc1=O 211127543 RQSFIJRFRLUFJW-OAHLLOKOSA-N 332.425 1.259 0 40 EDAB O=C1C[C@H](SC(=S)N2CCOCC2)C(=O)N1c1ccccc1 100908508 PKRKHUUFKZDSFM-LBPRGKRZSA-N 336.438 1.669 0 40 EDAB c1ccc(-c2nnc3n2CN(CCN2CCOCC2)CS3)cc1 30824961 SVFBLXJTZWXNIF-UHFFFAOYSA-N 331.445 1.600 0 40 EDAB O=C(NCCNS(=O)(=O)Cc1ccccc1)Nc1ccccc1 31097846 BPCSEJRYHNKXRL-UHFFFAOYSA-N 333.413 1.928 0 40 EDAB Cn1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1=O 31405720 UCTIQDRJRHPWDD-UHFFFAOYSA-N 325.368 1.442 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2ccc(-n3cncn3)cc2)C[C@@H](C)O1 40489258 PJRKMVRRSKFFTI-ZIAGYGMSSA-N 329.404 1.106 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)C2c3ccccc3Oc3ccccc32)CCO1 51467673 OUSGQEXROMCELX-INIZCTEOSA-N 338.363 1.637 0 40 EDAB CC(C)NC(=O)CNC(=O)c1nc(-c2ccc(N(C)C)cc2)no1 20739805 JGTALAANLMSTET-UHFFFAOYSA-N 331.376 1.057 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCC2CC2)s1 32779729 FMBRASJSEIOUDK-UHFFFAOYSA-N 345.490 1.988 0 40 EDAB COc1ccc(CCN2CCC(NC(=O)c3cnn(C)c3)CC2)cc1 52903965 GLEKZBXLSWAMBI-UHFFFAOYSA-N 342.443 1.866 0 40 EDAB C[C@H](c1nnnn1-c1ccccc1)N1CCN(c2ncccn2)CC1 41626304 PTWCUUOLGGFTPI-CQSZACIVSA-N 336.403 1.336 0 40 EDAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cccc(-n2nc(O)ccc2=O)c1 61367969 JEOOYVISRXWOEF-UHFFFAOYSA-N 347.334 1.489 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NC3(C(N)=O)CCCCC3)cn2)n1 77642063 GCPOBLXSXTXKJO-UHFFFAOYSA-N 341.415 1.802 0 40 EDAB CC[S@@](=O)CCNC(=O)Cc1c(C)nn(-c2ccccc2)c1C 72283741 UGASXGVTOZNABE-QHCPKHFHSA-N 333.457 1.916 0 40 EDAB C[C@](O)(CNc1cnc2cc(F)c(F)cc2n1)CN1CCOCC1 78343540 LQYXYSZAEKZSIY-INIZCTEOSA-N 338.358 1.403 0 40 EDAB O=C(Nc1cccc(N2CCNC2=O)c1)c1cc2c(cc1O)OCO2 53417839 AYBGWBDKGVNLMD-UHFFFAOYSA-N 341.323 1.903 0 40 EDAB C[C@@]1(NC(=O)Cc2ccc(Br)cc2)CCS(=O)(=O)C1 22549141 JIDIRLHIJFJZBN-CYBMUJFWSA-N 346.246 1.685 0 40 EDAB Cc1nc(CN(C)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cs1 103911326 ODBQFALRWZLGDJ-LWWSYDQCSA-N 345.424 1.217 0 40 EDAB CCCCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2 4355044 RLQBEUGCQYIXBG-UHFFFAOYSA-N 335.389 1.933 0 40 EDAB Cc1cc(C)cc(N(C)CC(=O)N2CCN(C(=O)C3CC3)CC2)c1 54291665 FBQCAFUXJDTJFT-UHFFFAOYSA-N 329.444 1.820 0 40 EDAB CCCC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C 72298159 BKHRMEUVOLJIAG-UHFFFAOYSA-N 341.452 1.761 0 40 EDAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)c1cnccn1)OCO2 6486541 XIDGDKBMYCNOGI-UHFFFAOYSA-N 343.295 1.203 0 40 EDAB CCCn1c(=O)c2c(nc3n2CCN3Cc2ccccc2)n(C)c1=O 6749039 QPAIFORFAVKKAW-UHFFFAOYSA-N 339.399 1.327 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccccc2C)cc1 72281239 LNPGGTIEDHWVNH-MRXNPFEDSA-N 348.424 1.367 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(CSc3ncn[nH]3)cc2)CC1 42629989 ACORVAZOEQTXNV-UHFFFAOYSA-N 345.428 1.401 0 40 EDAB COc1ncccc1NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 47553822 OJWPLQGANBLTAZ-CQSZACIVSA-N 339.355 1.149 0 40 EDAB CN(C)c1cc(CNC(=O)c2cccc(S(C)(=O)=O)c2)ccn1 47541495 ZUSBPSNEYYPMTA-UHFFFAOYSA-N 333.413 1.481 0 40 EDAB CNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 8328196 WDDLLXUHRMPVEI-QGZVFWFLSA-N 346.387 1.033 0 40 EDAB CC(C)c1nc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)no1 72232199 PHLCGBQQSQWLFX-STQMWFEESA-N 346.431 1.910 0 40 EDAB NC(=O)CCCNC(=O)CCOc1ccc(Br)cc1 42924738 IPGBFXOYKUMASZ-UHFFFAOYSA-N 329.194 1.600 0 40 EDAB C[C@@H](NCc1nnc2n1CCCC2)C(=O)N1CCc2sccc2C1 72299686 MINFQBSPOFKPCG-GFCCVEGCSA-N 345.472 1.739 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN([C@H](C)C(=O)NC3CCCC3)CCO2)n1 106665931 NWQJBZRQIIJTQB-WBVHZDCISA-N 334.464 1.648 0 40 EDAB COc1ccc(OC)c(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)c1 9484003 YUGMAGUFGZESFQ-KCQAQPDRSA-N 347.415 1.432 0 40 EDAB Cc1cccc(N2N=C(C(=O)NCCn3ccnc3)CCC2=O)c1 43946290 MANBDFTVGMWCMW-UHFFFAOYSA-N 325.372 1.491 0 40 EDAB CCOC(=O)C1CCN(C[C@@H](O)COCc2cccs2)CC1 3215849 BKPIMSOQVFURHI-CQSZACIVSA-N 327.446 1.901 0 40 EDAB O=C(NCCc1ccc(F)cc1)c1cnn(CCN2CCOCC2)c1 72284031 IOXCSOOSYKCSQU-UHFFFAOYSA-N 346.406 1.327 0 40 EDAB CCN1CCC[C@H]1CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 44571575 FHBQHEVDZVEIAU-INIZCTEOSA-N 340.427 1.506 0 40 EDAB C[C@@H](O)CN(CC(=O)NC(=O)NCc1cccs1)c1ccccc1 58180109 ZZNVAVVCCPBHFP-CYBMUJFWSA-N 347.440 1.961 0 40 EDAB CNC(=O)COc1cccc(CNC(=O)c2cccc3[nH]ncc23)c1 58229813 XNFUPWZXNZZUBR-UHFFFAOYSA-N 338.367 1.618 0 40 EDAB Cc1ccc(-n2cc(C(=O)N[C@@H](C)CN3CCOCC3)nn2)cc1 44943484 MSIPGRWWYXMJLK-AWEZNQCLSA-N 329.404 1.026 0 40 EDAB Cc1nc(NC(=O)[C@H](C)N2CCN(c3cnccn3)CC2)sc1C 44910527 OIGVIVWIHVSHKZ-LBPRGKRZSA-N 346.460 1.699 0 40 EDAB COc1ncccc1CNC(=O)NC[C@H](O)COc1cccc(F)c1 44955220 FHQXAGQDJIHSGM-AWEZNQCLSA-N 349.362 1.468 0 40 EDAB CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)C1CCCC1 44969510 JHGSHDSZHYBJLT-HZPDHXFCSA-N 345.447 1.257 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CCN(c2nccs2)CC1 28406571 FXWNPUMTNWMONE-AWEZNQCLSA-N 344.440 1.978 0 40 EDAB COC(=O)c1ncn(CN2CCN(Cc3ccccc3C)CC2)n1 58356569 QJDBQEZTVJLHNT-UHFFFAOYSA-N 329.404 1.148 0 40 EDAB CCCN(C(=O)Cc1noc2ccccc12)[C@H]1CCS(=O)(=O)C1 28246343 WWOQCMBLGVFPSR-LBPRGKRZSA-N 336.413 1.796 0 40 EDAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)NC3=NC(=C(C)C)NN32)cc1 10152850 CYMRQXZYOJIXNP-ZDUSSCGKSA-N 343.387 1.340 0 40 EDAB CCc1noc2ncc(S(=O)(=O)N[C@@H]3CCCn4ncnc43)cc12 97140006 BJRJUZSFHXXRAE-GFCCVEGCSA-N 348.388 1.190 0 40 EDAB Cn1ccnc1[C@@](O)(CCNC(=O)Nc1ccncc1)C(F)(F)F 45715693 GQVGOZSQGQAVSP-ZDUSSCGKSA-N 343.309 1.777 0 40 EDAB C[C@H](c1ccsc1)N1CCN(C(=O)NC[C@@H](C)[S@](C)=O)CC1 97143148 QKYNOACASRHJCK-GIYNXVAASA-N 343.518 1.903 0 40 EDAB O=C(CN1CCC[C@@H]1Cc1ccccc1)N[C@@H]1CCCCNC1=O 46054113 PDYKVNBLOLGQGE-IAGOWNOFSA-N 329.444 1.478 0 40 EDAB CC(C)CN1C[C@H](C(=O)NCCNC(=O)c2cccs2)CC1=O 46202517 OOHVEQALDIYDGP-GFCCVEGCSA-N 337.445 1.099 0 40 EDAB CCCCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 29723225 RCBZOVJZEZMOAH-UHFFFAOYSA-N 333.841 1.718 0 40 EDAB CCOc1ccccc1-n1nnnc1SCC(=O)N1CCCC1=O 2634873 FKPWJAIBYCVXIV-UHFFFAOYSA-N 347.400 1.302 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCNCc2ccc(F)c(F)c2)C[C@@H](C)O1 48783351 MDPVYGOXVZSKMJ-TXEJJXNPSA-N 348.415 1.493 0 40 EDAB CSc1ccc(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 6127670 QTDKSEXDWCPQSJ-NSHDSACASA-N 329.443 1.433 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccccc1Cc1ccccc1 39982724 JKVYSPYRDJSLRB-UHFFFAOYSA-N 335.363 1.766 0 40 EDAB Cc1ccnc(NC[C@@H]2CCN(CCCNS(C)(=O)=O)C2)c1 65474195 HZBUGWMLHLYGFA-AWEZNQCLSA-N 326.466 1.063 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)Nc1ccc(N2CCOCC2)nc1 65412752 RLIIOQXQCFPTRL-INIZCTEOSA-N 342.399 1.773 0 40 EDAB CCc1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 14241191 PMNFPZMURVGTQY-RDTXWAMCSA-N 332.400 1.709 0 40 EDAB CCC[C@H]1NC(=O)N(CC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)C1=O 14736713 MTENUUMBCJKVOG-LLVKDONJSA-N 349.387 1.711 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)c3cccc(C(N)=O)c3)C2)no1 67940469 CYRYRFBORARSSD-ZDUSSCGKSA-N 328.372 1.751 0 40 EDAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCC)c(=O)[nH]c1=O 9500102 AAIJIDTWQJKMHX-UHFFFAOYSA-N 348.403 1.845 0 40 EDAB CCCN(CC(=O)NC(=O)NCC)CC(=O)Nc1ccccc1C 7913902 AYRQUXNUHDIYRJ-UHFFFAOYSA-N 334.420 1.491 0 40 EDAB COCCOCC(=O)Nc1cc2c(cc1C(=O)O)OCCCO2 7986557 SSEHEWMUBCWFRK-UHFFFAOYSA-N 325.317 1.148 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCN(c2ccccn2)CC1 69002077 FQCKXDLNAYGHKL-UHFFFAOYSA-N 339.321 1.646 0 40 EDAB NC(=O)[C@@H](NC(=O)NCCOc1ccc(F)cc1F)c1ccccc1 71882536 SKRAMRLCQKDZMK-HNNXBMFYSA-N 349.337 1.869 0 40 EDAB COCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 8209607 PWGMXGKHAMTMGY-UHFFFAOYSA-N 340.445 1.289 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1ccc(C(N)=O)cc1)C2 70006776 OBPAOCQOWQZEPP-UHFFFAOYSA-N 325.372 1.206 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3F)c2)CC1 70008333 JWWBFESIDVZHLK-OAHLLOKOSA-N 346.406 1.540 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1 70007093 WGMJZZZLDQJJRQ-CQSZACIVSA-N 343.427 1.067 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@H]1C1CCCC1 71820105 SAAWWTOQSRQBCJ-HNNXBMFYSA-N 341.411 1.871 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2nccs2)CC1 71831334 UUOCDVJVQBUZSH-AWEZNQCLSA-N 331.397 1.632 0 40 EDAB COc1c(C)cnc(CN2CCC[C@H](CNS(C)(=O)=O)C2)c1C 71893604 SIZQNAUMWRPQEV-CQSZACIVSA-N 341.477 1.468 0 40 EDAB CN(Cc1ccncc1)C(=O)NCC(=O)N1CCc2ccccc2C1 69666638 GQGXJIHHFXIKEV-UHFFFAOYSA-N 338.411 1.808 0 40 EDAB Cc1ccccc1OCCNC(=O)Nc1cccc(S(N)(=O)=O)c1 69740285 HGWIASMKSDOWFK-UHFFFAOYSA-N 349.412 1.843 0 40 EDAB Cc1ccc(CNC(=O)CN2CCCC[C@@H]2Cn2cncn2)s1 69702845 CGNIJHOOLJYWRU-CQSZACIVSA-N 333.461 1.819 0 40 EDAB Cn1ccnc1SCc1ccc(C(=O)NCC[S@@](C)=O)o1 69700632 SGJKWJJPHWNEIX-NRFANRHFSA-N 327.431 1.414 0 40 EDAB NC(=O)[C@@H]1CCCN1C(=O)NC(=O)CSc1ccc(Cl)cc1 71916357 YMEIXQIILVGBBK-NSHDSACASA-N 341.820 1.618 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2C[C@H](O)COCc2ccco2)n1 69872943 ZORIFTXSKPKINV-SJORKVTESA-N 348.447 1.920 0 40 EDAB CCn1nc(C)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 71903901 TXVPWECWSPWHPF-CYBMUJFWSA-N 336.461 1.391 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)c2ccc(C(=O)NC)nc2)C1 69918595 IRDNANQGIJYSSW-AWEZNQCLSA-N 341.415 1.677 0 40 EDAB COC(=O)C1CCN(C(=O)COC(=O)c2ccc(C)c(O)c2)CC1 8707232 JHDFDUYMYFUXCP-UHFFFAOYSA-N 335.356 1.269 0 40 EDAB CN(Cc1ccc(F)c(F)c1)C(=O)NCCNC(=O)c1ccn[nH]1 97055326 KNHHYKLIVANWJP-UHFFFAOYSA-N 337.330 1.259 0 40 EDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCC(CCN(C)C)CC2)C1 95365108 WAXGFGMVZWSORV-GJZGRUSLSA-N 331.526 1.873 0 40 EDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)CS(=O)(=O)c1ncc[nH]1 84640641 VEUZNYFBTNKBGM-VIFPVBQESA-N 343.355 1.209 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2ccncc2)C1 84671370 XDTBKZUSEXPSBC-MRXNPFEDSA-N 341.415 1.965 0 40 EDAB C[C@H](Cn1cncn1)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 95421176 NROGLULEAQWZHP-GHMZBOCLSA-N 326.397 1.560 0 40 EDAB O=S(=O)(NC1CCN(C[C@@H]2CCCOC2)CC1)c1cccs1 95426302 KESIITGGPDPTPR-ZDUSSCGKSA-N 344.502 1.917 0 40 EDAB CC(C)(C)c1nc(CNS(=O)(=O)c2cncc(Cl)c2)no1 95437320 BWKWWKBQUVAUPN-UHFFFAOYSA-N 330.797 1.894 0 40 EDAB CON(C)C[C@@H](O)Cn1cc(NC(=O)Nc2cc(C)cc(C)c2)cn1 75143797 RPDFFPDEJOOOSE-MRXNPFEDSA-N 347.419 1.998 0 40 EDAB C[C@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1nnc2n1CCCC2 89913829 ISQLOUWKJOUHDZ-LBPRGKRZSA-N 337.387 1.686 0 40 EDAB COc1cccc([C@H](CNC(=O)N[C@@H](C)c2nncn2C)N(C)C)c1 89913947 WLESATBQBGPFHR-WFASDCNBSA-N 346.435 1.487 0 40 EDAB Cc1ccnc2nc(-c3nc(CC(=O)NC4CCCCC4)no3)nn12 75609890 RGPHURMIGNTHSP-UHFFFAOYSA-N 341.375 1.474 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3COc4ccccc4C3)CCO2)n1 76044961 PWAUBLMGCYSQMF-ZFWWWQNUSA-N 328.372 1.264 0 40 EDAB COc1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(C)cc1 408554905 VMESQVGXKPQPHV-UHFFFAOYSA-N 341.367 1.697 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 409113204 INLHTPAIOCHBAY-UHFFFAOYSA-N 348.424 1.332 0 40 EDAB Cn1cc(N2CC[C@@H](Nc3cnn(CC(F)(F)F)c3)C2=O)cn1 126255637 JDJZQKTXPAZGTN-LLVKDONJSA-N 328.298 1.396 0 40 EDAB O=C([C@@H]1CCc2cncn2C1)N1CCC(c2nncn2C2CC2)CC1 516672538 WVNIVOLPYCMTKS-CQSZACIVSA-N 340.431 1.778 0 40 EDAB O=C1COc2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2N1 32893713 LLEGPQZQTKZVGG-NSHDSACASA-N 343.383 1.747 0 40 EDAB COC[C@]1(NC(=O)[C@@H]2CCc3nn[nH]c3C2)COc2ccccc2C1 529959761 RLEWWWJMAUNRLN-XIKOKIGWSA-N 342.399 1.046 0 40 EDAB O=C(O)C1CCN(S(=O)(=O)NC2(Cc3ccccc3)CC2)CC1 567468287 HUZZQOBPTQUALK-UHFFFAOYSA-N 338.429 1.393 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC2(COC(C)(C)OC2)C1 70972102 IEERRCXXCJEYNI-UHFFFAOYSA-N 341.429 1.777 0 40 EDAB CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)NC)c2)c1 48377238 UZPPSNYNDZLQKY-UHFFFAOYSA-N 348.424 1.923 0 40 EDAB Cc1nc(NS(C)(=O)=O)sc1C(=O)NCCc1ccccc1 225877118 FHJQNGJAWGYGMQ-UHFFFAOYSA-N 339.442 1.796 0 40 EDAB CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)Cc1ccnn1C 195221796 WEUWCVDRZJCCFV-UHFFFAOYSA-N 345.428 1.981 0 40 EDAB NC(=O)C[C@@H](NCc1ccc(Br)o1)C1CCOCC1 195579986 LHYYWRWFIXSOQH-LLVKDONJSA-N 331.210 1.802 0 40 EDAB O=C(CNC1CC1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 237892501 OIDKWTBRMWMEMF-UHFFFAOYSA-N 342.365 1.937 0 40 EDAB O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccccn3)C[C@H]21)N1CCCO1 96043387 BTCKCKONRSKSCX-IXDOHACOSA-N 331.416 1.473 0 40 EDAB Fc1cnc(N2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)nc1 96249712 YMLQCEWEKAGXTR-NVXWUHKLSA-N 343.406 1.738 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2c(C)noc2C)O1 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FEXDKESZMRKMSY-SMDDNHRTSA-N 334.372 1.036 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)[C@@H]3[C@H]4CCC[C@H]43)CC2)C1 247974102 CBVJQVLDKORVGS-RXYDEIHYSA-N 347.503 1.872 0 40 EDAB COCCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1 242577067 CGLUAIIFFJDLOI-UHFFFAOYSA-N 326.418 1.237 0 40 EDAB COc1cccc(O[C@@H]2C[C@@H](NC(C)=O)[C@H](N3CCCCC3)[C@H]2O)c1 257213296 CGYJFFLOWNIYGQ-YRXWBPOGSA-N 348.443 1.566 0 40 EDAB CC(=O)N1CCCC[C@H]2CN(C(=O)CCCn3cncn3)CC[C@H]21 257220726 DLWYTORCSYJIOV-JKSUJKDBSA-N 333.436 1.308 0 40 EDAB CC(C)(C(=O)N1CCC[C@@H](Cc2cnc(N)cn2)CC1)n1cncn1 257247680 JAAKAWQRWOAMPF-CYBMUJFWSA-N 343.435 1.257 0 40 EDAB N[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515340 IVQYEAGJOSKWRQ-IIAWOOMASA-N 335.356 1.548 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)c2cc(CC(C)C)no2)n1 257249859 JKAFNHVFLQDZNI-CQSZACIVSA-N 346.387 1.891 0 40 EDAB Cn1cc2c(n1)CCC[C@H]2NS(=O)(=O)c1ccsc1C(=O)O 1600970522 HLPRRUCUTLTNAO-SNVBAGLBSA-N 341.414 1.536 0 40 EDAB COc1cncc(S(=O)(=O)NCc2cc(C(=O)O)c(C)o2)c1 541934094 IDYJVFAVGKSVFO-UHFFFAOYSA-N 326.330 1.168 0 40 EDAB Nc1cccc([C@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257211324 BYLPKILLEVFRQT-OAHLLOKOSA-N 341.367 1.649 0 40 EDAB COCCN1C(=O)CO[C@@H]2CCN(C(=O)Cc3ccccc3C)C[C@@H]21 257279962 OIXKSQDGOXGQAU-DLBZAZTESA-N 346.427 1.012 0 40 EDAB CN(C)Cc1cnc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)[nH]1 257215510 CQLUCTHPMDZKMZ-CQSZACIVSA-N 334.445 1.675 0 40 EDAB CC(C)[C@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)CCO1 271722858 UEGDLQNNKFKNCG-IUODEOHRSA-N 341.429 1.940 0 40 EDAB Cc1oc(S(C)(=O)=O)cc1C(=O)NC(C)(C)[C@@H](O)C(F)(F)F 1615547457 IIRAMXGQKBDRFV-SNVBAGLBSA-N 343.323 1.423 0 40 EDAB CCCN(CC1CC1)C(=O)[C@H]1CC(=O)N(CC)[C@@H]1c1nccn1C 1615591886 UHBOAHOWOUXBFV-HOCLYGCPSA-N 332.448 1.978 0 40 EDAB COC(=O)c1cccc(OCc2noc(CCc3nccn3C)n2)c1 1615612955 DITNQUIMHRDLSK-UHFFFAOYSA-N 342.355 1.954 0 40 EDAB COCC1(c2ccccc2)CN(C(=O)[C@H]2CCc3nccn3C2)C1 1615621095 HITYAFUVFBGOQR-HNNXBMFYSA-N 325.412 1.872 0 40 EDAB Cc1cncc(C(=O)N2Cc3ccnn3[C@H](CN3CCCC3=O)C2)c1 575406808 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330.406 1.735 0 40 EDAB O=C(O)c1ccc(NCCCO)c(S(=O)(=O)NC2CCCC2)c1 217444268 QGOCMHFEGZBDPA-UHFFFAOYSA-N 342.417 1.400 0 40 EDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc(F)cc(F)c1 71980080 OVJPZVICVSJXOZ-CYBMUJFWSA-N 340.326 1.312 0 40 EDAB COC(=O)CCCc1nc(COc2nccc(C(F)(F)F)n2)no1 564955140 VFKYVYFGQGXHRH-UHFFFAOYSA-N 346.265 1.953 0 40 EDAB CC(C)CCNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 30756265 KMFUZAJBZDOUNB-CQSZACIVSA-N 326.418 1.376 0 40 EDAB CS(=O)(=O)CCC(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 72526934 YMMXWECVMDWSFM-AWEZNQCLSA-N 333.413 1.448 0 40 EDAB COc1ccc2[nH]c(=O)c(/C=C3/C(=O)NC(=S)N3C(C)=O)cc2c1 31844645 GASXNEQDFRVKDP-QPEQYQDCSA-N 343.364 1.141 0 40 EDAB COc1ccc(CC(=O)N2CC3(COC(C)(C)OC3)C2)cc1OC 70971721 FGOOVTCLGSJOFT-UHFFFAOYSA-N 335.400 1.858 0 40 EDAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCCO 217637503 LMVLKQCFTXUTFV-UHFFFAOYSA-N 336.369 1.590 0 40 EDAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)CO)n1 72360381 BOAOYWDVTKCMFQ-AWEZNQCLSA-N 327.388 1.888 0 40 EDAB CNC(=O)c1ccc([C@@H]2CN(C(=O)c3scnc3C)CCO2)nc1 72388121 LTFBNVKROYYAFB-ZDUSSCGKSA-N 346.412 1.420 0 40 EDAB O=C1Cc2cc(S(=O)(=O)NCc3nc4ccccc4o3)ccc2N1 74778663 AVWVKTXTOJAODW-UHFFFAOYSA-N 343.364 1.801 0 40 EDAB CCn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)cn1 72241542 AESAGJQBYOHMLP-JKSUJKDBSA-N 346.362 1.579 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccco2)s1 223287078 QXZOBWXQIBKGNB-UHFFFAOYSA-N 330.391 1.001 0 40 EDAB COc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)c(C)c1C 75162066 MZWSUZIMFXFBCL-UHFFFAOYSA-N 336.417 1.969 0 40 EDAB COc1ccc(CC(=O)N2CC[C@H](Oc3cnccn3)C2)cc1OC 225792944 KCZREYKFCKHHIN-AWEZNQCLSA-N 343.383 1.716 0 40 EDAB CCOC(=O)c1csc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)n1 45883146 LBOMPUSWIIWCOP-SNVBAGLBSA-N 339.417 1.763 0 40 EDAB Cc1nc(N2CCOCC2)nc2ccn(Cc3ccccc3)c(=O)c12 40385407 HOMDLYZXTZPZLK-UHFFFAOYSA-N 336.395 1.985 0 40 EDAB COc1ccc(NC(=O)Cn2c(=O)nc(N)c3cc(C)sc32)cc1 40286768 ZCMVLUZPYOMMSP-UHFFFAOYSA-N 344.396 1.996 0 40 EDAB CCOc1c(Cl)cccc1CC(=O)N1CCN(CCO)[C@H](C)C1 195579975 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1.927 0 40 EDAB Cn1cc(CN2CCC[C@]3(C[C@H](Oc4ncccn4)CO3)C2)cn1 96222586 JBCTUKLDMJBKBV-RDJZCZTQSA-N 329.404 1.413 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(c3ncccn3)C[C@H]21 96043368 CYHNPCYRRKTBIA-OWCLPIDISA-N 339.399 1.742 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@]12CCN(C)C2=O 96201632 ZLRXQKUGLAGRBZ-IAQYHMDHSA-N 326.393 1.315 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)C3CCCCC3)CC2)C[C@@H]1C(=O)O 96157064 SVEODIQMPWXKAN-OAHLLOKOSA-N 336.432 1.881 0 40 EDAB Cc1noc(OCc2csc(-c3c(C)c(C)nn(C)c3=O)n2)n1 96455726 JNZKZXRJKFTONZ-UHFFFAOYSA-N 333.373 1.791 0 40 EDAB COc1cc(NC(=O)[C@@H](C(=O)O)C(C)C)ccc1NS(C)(=O)=O 581254573 NUBVSQAPGXNFAT-LBPRGKRZSA-N 344.389 1.362 0 40 EDAB Cc1ccccc1C1(C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)CC1 581360769 AMNBTTUSBCENBE-SFHVURJKSA-N 340.427 1.672 0 40 EDAB CC(C)(C)[C@H](NC(=N)O)C(=O)NC1CCN(CC(F)(F)F)CC1 330421322 XYEDOLAUPVYBRY-SNVBAGLBSA-N 338.374 1.626 0 40 EDAB CCCc1nc(C(=O)NN2CCOCC2)nn1-c1ccccc1F 96435963 ZNDVHWIVXSEPSG-UHFFFAOYSA-N 333.367 1.336 0 40 EDAB CCNS(=O)(=O)N1C[C@H](c2ccc(F)cc2F)[C@@H](C(=O)OC)C1 242389240 ZVKFUYOSXCRVKB-NEPJUHHUSA-N 348.371 1.008 0 40 EDAB CCN1CCC[C@H](NC(=O)N2CCN([C@H](C)c3ccccn3)CC2)C1 248866432 QDVJUMYKONDTQH-SJORKVTESA-N 345.491 1.954 0 40 EDAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(N2CCCC2)nn1 585138210 VRRBPQXPASHSCR-UHFFFAOYSA-N 328.328 1.733 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2cc(C)on2)n1 257333858 YDJZEZKAPJZWQV-OAHLLOKOSA-N 329.360 1.386 0 40 EDAB CC(=O)N1CC2(CCN(Cc3cc(C)on3)CC2)C[C@@H](O)C1(C)C 257280711 OMAISUGDWYBODJ-MRXNPFEDSA-N 335.448 1.957 0 40 EDAB CN1CCC(Cc2ccccc2F)(C(=O)N[C@@H]2CCCNC2=O)CC1 257279664 OHQIDQDREOWQSU-MRXNPFEDSA-N 347.434 1.475 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1c1nccnc1-c1ccc(C(=O)O)cc1 257248227 JCSVRHCSVUPJAQ-CYBMUJFWSA-N 347.396 1.938 0 40 EDAB CC(=O)N1CCN(CCc2ccc(F)cc2)C[C@@H](C(=O)N(C)C)C1 257227211 FODDAUDCKNFJGI-MRXNPFEDSA-N 335.423 1.237 0 40 EDAB CC(C)C(=O)N1CCC[C@H]1c1ccnc2c(C(=O)N(C)C)cnn12 257203321 APMOQDDFUVTRSZ-ZDUSSCGKSA-N 329.404 1.751 0 40 EDAB CC(=O)N1CCC[C@@H](c2cncc(-c3cncc(C(=O)O)c3)n2)C1 257295148 QXEMXCYSVYLMJQ-GFCCVEGCSA-N 326.356 1.963 0 40 EDAB COc1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)cc1F 257333103 YADWMCMFSVSIJF-BFYDXBDKSA-N 336.407 1.942 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)N2CCC(CC(=O)O)CC2)CC1 261619547 ANRSPQCNDLBGPN-UHFFFAOYSA-N 325.409 1.093 0 40 EDAB CC[C@H](CN(C)C)NS(=O)(=O)c1cc(OC)c(OC)cc1F 1615586420 MOVISNSLCWDTDK-SNVBAGLBSA-N 334.413 1.461 0 40 EDAB CO[C@](C)(CNC(=O)C(=O)Nc1ccon1)c1cccc(Cl)c1 96393026 TWMMWTCPTZIGDT-OAHLLOKOSA-N 337.763 1.945 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)c2ccnnc2)CCO1 585277727 XHTMHBKEFDVVHH-SFHVURJKSA-N 327.384 1.231 0 40 EDAB CC1CC(N(C)C(=O)c2nc3c(o2)CCN(C(=O)[C@@H]2CCCO2)C3)C1 585111711 GKFNCJVMBRVHBT-QOZQQMKHSA-N 347.415 1.609 0 40 EDAB O=C(O)[C@@H]1C[C@H](O)[C@@H](Nc2cc(-c3ccccc3)nc3ncnn23)C1 662895829 HKIXHLCQCYZPHR-UBHSHLNASA-N 339.355 1.427 0 40 EDAB c1cc2n(n1)CC[C@H](CN1CCOCC1)N(CC1CCOCC1)C2 585097179 IGFBVMQKTOPYPW-QGZVFWFLSA-N 334.464 1.216 0 40 EDAB CCOCC(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@H]1C 585096608 VYIHURGOOIGDNM-GFCCVEGCSA-N 346.387 1.346 0 40 EDAB COC[C@@]1(CC(N)=O)CN(Cc2cccc3ccccc23)CCO1 585279092 STLZGWILBJWKRG-LJQANCHMSA-N 328.412 1.933 0 40 EDAB Cc1nccc(CNC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)n1 69974749 WVIUZPOJICQXSB-ZDUSSCGKSA-N 336.461 1.739 0 40 EDAB Cc1cc(C)n2nc(NC(=O)N[C@@](C)(CO)c3ccccc3)nc2n1 72275166 MVXXETHGNKPPKU-KRWDZBQOSA-N 340.387 1.770 0 40 EDAB Cn1cc(CCNC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cn1 46992947 MCIOUNPRRNVKPF-HOTGVXAUSA-N 336.436 1.332 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@](O)(c1ccco1)C1CC1 75154943 UHAMZDRRGZSXDI-CQSZACIVSA-N 326.374 1.461 0 40 EDAB O=C(c1ccc(Br)o1)N1CCN(C[C@@H](O)C2CC2)CC1 85436668 WECZJAMCQMEWBP-LLVKDONJSA-N 343.221 1.571 0 40 EDAB C[C@@H](Cc1ccccc1F)C(=O)N(CCO)CCN1CCOCC1 95430214 GYDFBNLOKXEDJO-HNNXBMFYSA-N 338.423 1.157 0 40 EDAB Cc1conc1CN1CCc2nc(N3CCN(C)CC3)ncc2C1 1615588143 OOWKMQFYVZOOTD-UHFFFAOYSA-N 328.420 1.083 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 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QPVRCEHFRONBSI-RYRKJORJSA-N 346.427 1.662 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 106147 QSOLRZIQJXDEMJ-ZDUSSCGKSA-N 336.438 1.610 0 40 EDAB COCC(=O)N1C[C@H]2CCC[C@@H](C1)C2CC(=O)NCc1ccco1 2055745981 WZALEYKPARHZJW-MZBDJJRSSA-N 334.416 1.807 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC[C@]2(CC1)CN(Cc1ccoc1)CCO2 2055785464 LEDHATZZAOZJJN-MJGOQNOKSA-N 348.443 1.900 0 40 EDAB Cn1nc(C(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)ccc1=O 211112197 YZHVQZHSFLDOBJ-SFHVURJKSA-N 339.351 1.082 0 40 EDAB CC1CCN(C(=O)CN2CCn3c(nnc3C(F)(F)F)C2)CC1 150952783 NQFGIZKEDSTYLO-UHFFFAOYSA-N 331.342 1.371 0 40 EDAB CCc1nc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2nc1CC 40467931 BKPJQUJSSCNQSQ-LBPRGKRZSA-N 347.440 1.672 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 31547676 YYJLFQGLJWORAN-UHFFFAOYSA-N 328.372 1.787 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NCCCCN3CCOCC3)cc12 40554164 JSLCRIYKLYQPTO-UHFFFAOYSA-N 331.420 1.119 0 40 EDAB Cc1cnc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cn1 40529343 GFCVOQQWHSTMRE-KBPBESRZSA-N 341.415 1.724 0 40 EDAB CCOC(=O)N1CCN(C(=O)Cc2cnc(-n3cccc3)s2)CC1 20738545 NLSGUQDWUWQIEI-UHFFFAOYSA-N 348.428 1.777 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)N[C@H](C)[C@@H]3CCCO3)ccc2c1=O 32638575 NPTUTABJEKDIKU-ABAIWWIYSA-N 345.399 1.568 0 40 EDAB O=C(CN1CCN(c2cnccn2)CC1)Nc1nc2c(s1)CCC2 52464813 YKYJKSQOHHOOQK-UHFFFAOYSA-N 344.444 1.183 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 21555982 ZPXJKEGRIHOTDP-GFCCVEGCSA-N 335.429 1.468 0 40 EDAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OC(C)C)[C@H]3C1=O 488522 VTCRUVJPMOKWNC-PASDCYSWSA-N 343.379 1.933 0 40 EDAB biogenic Cc1ccc(-c2noc(CCCN3CC[C@@H](C(N)=O)C3)n2)cc1F 52961025 OIXQUMYBYWYHCM-CYBMUJFWSA-N 332.379 1.924 0 40 EDAB O=C(NCCN1CCCCC1)C1CCN(C(=O)c2ccoc2)CC1 46853987 JRPVGJMPIXFPPD-UHFFFAOYSA-N 333.432 1.734 0 40 EDAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccco1 70753057 YHWAWZLETPOYGG-INIZCTEOSA-N 348.424 1.325 0 40 EDAB COc1cc(CN2CCN(CC(F)F)CC2)cc2c1OCCO2 92586534 GWUQJDOHIWPUOQ-UHFFFAOYSA-N 328.359 1.849 0 40 EDAB Cc1nccc(N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)n1 78254830 XAIIJJXXNBXHPK-KRWDZBQOSA-N 337.427 1.713 0 40 EDAB O=S(=O)(N1CCN(CC2CC2)CC1)N1CCC[C@@H]1c1ccco1 78880041 SWAVDEKFOVTJLL-OAHLLOKOSA-N 339.461 1.689 0 40 EDAB COc1nc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc2ccccc12 79085257 UDQRZUARKZKIRJ-WCQYABFASA-N 327.384 1.969 0 40 EDAB CC[C@@H](C(=O)N1CCC(CS(N)(=O)=O)CC1)c1ccc(F)cc1 97141889 JUWVRGWCLVAMEJ-OAHLLOKOSA-N 342.436 1.846 0 40 EDAB CN(Cc1ccncc1)C(=O)CNC(=O)Cc1c(F)cccc1F 87239591 HIHVQRSCKANFME-UHFFFAOYSA-N 333.338 1.677 0 40 EDAB NC(=O)CSCCC(=O)NCc1ccccc1CN1CCCC1 23082503 RLZOHCBWZFTZHR-UHFFFAOYSA-N 335.473 1.507 0 40 EDAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 4510807 HEQLZMQGPPTGSP-LBPRGKRZSA-N 328.409 1.753 0 40 EDAB COc1ccccc1C(=O)NC(=S)Nn1c(C)nnc1SC 6223747 GKOHTUIWEVHWBM-UHFFFAOYSA-N 337.430 1.575 0 40 EDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CNC2CCCCC2)c1 7141220 VRNODAXMPFTZAW-UHFFFAOYSA-N 339.461 1.798 0 40 EDAB COCc1nc2n(n1)CCC[C@H]2NC(=O)NC1Cc2ccccc2C1 97140347 YYAXHDHPNXCWRO-OAHLLOKOSA-N 341.415 1.726 0 40 EDAB CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2F)C2CC2)C1=O 8157209 FPKLGRQAUCDPRV-UHFFFAOYSA-N 347.346 1.127 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)c1ccc2c(c1)CCC2 24161676 JSWXELDCEKMLLB-KRWDZBQOSA-N 330.409 1.786 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N(C)C[C@H]1COc2ccccc2O1 24662252 YACPNKKOSCLCIJ-AWEZNQCLSA-N 329.400 1.878 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)NCC1(c2ccc(F)cc2)CCC1 97032178 NAFYCFLAVYVYBY-UHFFFAOYSA-N 342.436 1.645 0 40 EDAB COCCN1CCN([C@H](C)C(=O)NCc2ccccc2OC)C[C@@H]1C 106776659 UULJRVDTHDZQTQ-JKSUJKDBSA-N 349.475 1.352 0 40 EDAB NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)[C@H]3CCCO3)c2)C1 106870054 FVJMJHPHABJFBT-DLBZAZTESA-N 345.443 1.179 0 40 EDAB CNC(=O)CN1CCC(NC(=O)C2(c3cccc(C)c3)CCC2)CC1 25234967 BBEGWLHGKMDDEV-UHFFFAOYSA-N 343.471 1.743 0 40 EDAB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(F)cc1 34879003 AJOMQDOSCXQRDW-DOMZBBRYSA-N 342.436 1.292 0 40 EDAB O=C(Cc1ccc2c(c1)CCO2)N1CCC(N2CCNC2=O)CC1 55786193 APNWFGRSZDSDPE-UHFFFAOYSA-N 329.400 1.180 0 40 EDAB C[C@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)OCCCO2 107142692 XESQWKKXFFAJJT-WCQYABFASA-N 326.418 1.076 0 40 EDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)o1 107321592 ONAWWTWQBSPUKW-CHWSQXEVSA-N 341.433 1.167 0 40 EDAB CCn1cc(Br)cc1C(=O)N1CCO[C@@H](C(=O)O)C1 43702617 YZWGEVMGXSARCA-SNVBAGLBSA-N 331.166 1.196 0 40 EDAB O=c1[nH]nc(CNc2cccc(CS(=O)(=O)c3ccccc3)c2)[nH]1 97053177 SAKRPCDBIIWAJK-UHFFFAOYSA-N 344.396 1.684 0 40 EDAB CCc1cc(=O)n2nc(N3CCCC[C@@H]3[C@@H]3CNC(=O)C3)sc2n1 108147517 SVUIFPCLYCSNRS-CMPLNLGQSA-N 347.444 1.208 0 40 EDAB CC1CCN(CCNC(=O)Nc2ccc(N3CCOCC3)nc2)CC1 48069548 CQLIYDLNKBSMDC-UHFFFAOYSA-N 347.463 1.772 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)NCCc2ccc(F)cc2)CC1 44255733 KIFOKMIADRKLTJ-UHFFFAOYSA-N 343.424 1.091 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NC[C@@H]1CCCOC1 100217339 QJERQAMBAUMZLB-MBIOBJJBSA-N 342.395 1.617 0 40 EDAB COc1ccccc1OCCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72268924 DMMSRZWDAOBOFG-CVEARBPZSA-N 348.443 1.522 0 40 EDAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NC(C)C 22252468 VZPSIIZOIZOKLJ-UHFFFAOYSA-N 344.433 1.628 0 40 EDAB C[C@H](C(=O)OCC(=O)NC1CCCC1)N1C(=O)c2ccccc2C1=O 3286257 MDTYMTNHGHHGMM-LLVKDONJSA-N 344.367 1.273 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1C(=O)O 3243754 YJSPJLDQEQNAIU-NXEZZACHSA-N 329.374 1.191 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1C 20008420 PCKMZPHEYLJRCX-OAHLLOKOSA-N 348.424 1.379 0 40 EDAB Cn1c(N)nnc1SCCCS(=O)(=O)c1ccc(F)cc1 58139779 YXHOWEZQTNJJHH-UHFFFAOYSA-N 330.410 1.493 0 40 EDAB O=C(c1cc(F)c(F)c(F)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269209 JYVJJQWXPHMPCU-UONOGXRCSA-N 328.334 1.775 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)Cn2cccn2)c1 44935997 ASZHBNJKCJBQCR-NSHDSACASA-N 325.390 1.267 0 40 EDAB CC[C@](C)(CNC(=O)NCc1nnc2ccccn12)N1CCOCC1 44951087 VGENJSDETBPEGC-QGZVFWFLSA-N 346.435 1.029 0 40 EDAB CN(CCCNC(=O)N1CCc2ccccc2C1)S(C)(=O)=O 44971064 HKGCDFGLVCNBMO-UHFFFAOYSA-N 325.434 1.036 0 40 EDAB O=C(NCCCn1cccn1)N1CCN(c2ccccc2O)CC1 44968439 GYSIQXSJTINSBT-UHFFFAOYSA-N 329.404 1.511 0 40 EDAB CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2c(F)cccc2Cl)C1 97147207 IZMMRYWCGLCTLY-NSHDSACASA-N 348.827 1.968 0 40 EDAB CCc1nc(CN2CCN(Cc3cc(F)ccc3OC)CC2)n[nH]1 97163297 AQLSUPIWLNIQMB-UHFFFAOYSA-N 333.411 1.833 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N(C)C1CCC(c2ccccc2)CC1 58310102 BACSPQMWTRJACT-UHFFFAOYSA-N 345.443 1.424 0 40 EDAB CN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 58392499 ANIQTRJXVPGBIB-KRWDZBQOSA-N 333.363 1.461 0 40 EDAB CN(CC(=O)N1CCCN(Cc2ccccc2)CC1)c1cnccn1 48121987 ISCQYTKHHUWTGJ-UHFFFAOYSA-N 339.443 1.647 0 40 EDAB Cc1ccc([C@@H](CNC(=O)NCc2cccnc2)N2CCOCC2)o1 48234357 RRAFVNQQBDCNHF-MRXNPFEDSA-N 344.415 1.856 0 40 EDAB CCc1nnc(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)o1 48288804 BQLWVHLRXZJEIW-UHFFFAOYSA-N 328.416 1.885 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N1C[C@@H](C)O[C@H](C)C1 48244142 KFXZFTNCAZCISG-VXGBXAGGSA-N 342.399 1.319 0 40 EDAB COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cc(C)cnc12 12735450 BXKFKIWHEPXOFC-ZDUSSCGKSA-N 334.397 1.869 0 40 EDAB O=C(NCc1nnc2n1CCC2)N1CCO[C@H](c2ccc(F)cc2)C1 45386940 XPBHGFNTFQZMMM-AWEZNQCLSA-N 345.378 1.647 0 40 EDAB C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(CNS(C)(=O)=O)o2)C1 84691681 LIMITAPCMQGTIE-VXGBXAGGSA-N 328.434 1.980 0 40 EDAB O=C(NCCCn1cnc2ccccc21)[C@H]1CC(=O)N(CC2CC2)C1 46319425 VRWSXALSVLRCJM-HNNXBMFYSA-N 340.427 1.801 0 40 EDAB Cc1cc(N(C)C)ccc1NC(=O)NC[C@@H]1CCS(=O)(=O)C1 48356620 QPPKNEIFAYLZGW-LBPRGKRZSA-N 325.434 1.617 0 40 EDAB CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 12817420 BPAGFWBYABVMEG-UHFFFAOYSA-N 325.434 1.339 0 40 EDAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1nccnc1N 3525731 WAWPAQLJFKVJJS-UHFFFAOYSA-N 328.372 1.653 0 40 EDAB O=c1c(/C=C2\SC(=S)N=C2O)c(NCCO)nc2ccccn12 3652507 SASPQZOPPDHJTQ-CLFYSBASSA-N 348.409 1.428 0 40 EDAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N(C[C@@H]1CCOC1)C1CC1 64319430 VBCRZMCRUBGMOP-AWEZNQCLSA-N 339.395 1.874 0 40 EDAB O=C(O)c1cc(C(=O)O)cc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4180018 CUTRFYDWLHUNDC-XXHBBNRNSA-N 329.308 1.619 0 40 EDAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)O)c1)C(=O)O 4204802 LYBCLCKCCNIXRW-LLVKDONJSA-N 347.414 1.178 0 40 EDAB in-vitro COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(O)cc2)C1=O 408549262 RQJSWUHMMXKYSV-NTEUORMPSA-N 341.323 1.249 0 40 EDAB COc1ccc([C@H](NC(=O)Nc2cnn(CC(N)=O)c2)C2CC2)cc1 65449837 MSOYEYSBGVGZES-MRXNPFEDSA-N 343.387 1.650 0 40 EDAB Cc1ncc(C(=O)NCCNC(=O)c2ccc(F)cc2F)s1 65402257 KVYYLDBTGQBRFH-UHFFFAOYSA-N 325.340 1.890 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@H](C)S(C)(=O)=O)O[C@@H](C)C2 65447642 CKZLIUPTONULSU-QWRGUYRKSA-N 341.429 1.458 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)NC[C@@H]1CCOC1)c1ccc(F)cc1 65405050 NQNWTYBGWHNXKA-WFASDCNBSA-N 332.379 1.984 0 40 EDAB CSc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 65423790 QHZKGVNJYFTCGL-JTQLQIEISA-N 335.429 1.142 0 40 EDAB Cc1ccc(SCC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1 65550560 BSEYYEQPGDEBNU-INIZCTEOSA-N 348.468 1.937 0 40 EDAB CC(C)C[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 14182993 RHQCNFQYRHQVKI-CQSZACIVSA-N 332.404 1.835 0 40 EDAB CC[C@@H](C)NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408702093 BTOXQTMFGNJAAW-GFCCVEGCSA-N 328.434 1.372 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccnn3C(C)C)cc12 66248553 JGGDDHMUHGPMOZ-UHFFFAOYSA-N 334.405 1.855 0 40 EDAB C[C@H]1C[C@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CC(=O)N1 96003977 SJUDYZGOAKHIFE-ZFWWWQNUSA-N 335.448 1.152 0 40 EDAB Cc1cc(NC(=O)CN2CCCNC2=O)n(-c2ccccc2F)n1 66664067 KIWUFLMFFRHTNI-UHFFFAOYSA-N 331.351 1.674 0 40 EDAB NC(=O)c1cccc(CNC(=O)Nc2cccnc2-n2cncn2)c1 66671299 BKBXYHOPIFTSML-UHFFFAOYSA-N 337.343 1.083 0 40 EDAB CCOCCCNC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976158 NPHGGPZATHEMCJ-HNNXBMFYSA-N 336.407 1.760 0 40 EDAB CCN1C(=S)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 9302659 IDRVLQBXVNWPRI-NWDGAFQWSA-N 330.862 1.932 0 40 EDAB CNC(=O)[C@@H](NC(=O)NCC(F)(F)F)c1ccc(F)c(F)c1 67539661 PZRSIUNJJRXFTG-VIFPVBQESA-N 325.237 1.613 0 40 EDAB COc1cc(Br)c(CC(=O)O[C@@H](C)C(N)=O)cc1OC 7802326 XNIFRZJKHWWFEV-ZETCQYMHSA-N 346.177 1.426 0 40 EDAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCNC1=O 8231451 WZOJGAQJILUJMA-CYBMUJFWSA-N 331.372 1.147 0 40 EDAB COCCN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)[C@@H](C)C(N)=O 70012513 NDMGJJYBRNCNEM-JTQLQIEISA-N 337.807 1.713 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CCCC[C@H]1C1OCCO1 69438766 DLTWXPBUAMGMTH-AWEZNQCLSA-N 329.360 1.030 0 40 EDAB CN1CC[C@H](CN(C)C(=O)NCc2cccc(N3CCCC3=O)c2)C1 71857269 KDOOKRYULWVVQR-INIZCTEOSA-N 344.459 1.907 0 40 EDAB Cc1cc(C)c(C)c(OCCC(=O)N[C@H](C)C(=O)N2CCOCC2)c1 71884246 AZWOSCGEHDFJAJ-MRXNPFEDSA-N 348.443 1.744 0 40 EDAB CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@H](C)Cn1ccnc1 69595222 ONXBZIXOWFVEAW-OAHLLOKOSA-N 343.431 1.620 0 40 EDAB CNC(=O)c1ccc(OC)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 71817308 YUAYCWNGWXSWOR-RYUDHWBXSA-N 332.356 1.660 0 40 EDAB Cn1cc([C@H]2CCCN2CC(=O)NCc2ccc3c(c2)OCO3)cn1 69666957 CEQRRAAMXJNCRN-OAHLLOKOSA-N 342.399 1.602 0 40 EDAB CCOC(=O)CN(C)C(=O)CSc1nnnn1-c1ccc(C)cc1 69666002 REHRULWQJDXWSD-UHFFFAOYSA-N 349.416 1.084 0 40 EDAB COc1cc(CNC(=O)N[C@H]2CCCNC2=O)ccc1OC(F)F 69626852 XUVBDTHALXOUNQ-JTQLQIEISA-N 343.330 1.374 0 40 EDAB O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCN(CC2CC2)C1 69619404 AWPWMDNCLAJAIW-AWEZNQCLSA-N 341.411 1.273 0 40 EDAB CCOC(=O)[C@H](Cc1ccccc1)N(C)S(=O)(=O)c1cccnc1 69659649 ALQBYGISGRATDF-INIZCTEOSA-N 348.424 1.877 0 40 EDAB O[C@@H](CN1CCN(CN2CCSC2=S)CC1)c1ccccc1 71920489 MNEBEFBCKJHOQJ-HNNXBMFYSA-N 337.514 1.629 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1csc(-c3cnn(C)c3)n1)C2 69739544 GWRCMFSSKXMKQB-UHFFFAOYSA-N 343.416 1.354 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)Cn3ccnc3)CC2)o1 69876725 NGYVGTFTOWRCLL-ZDUSSCGKSA-N 345.403 1.341 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)COC2CCCC2)CC1 69899446 PYCROISEAUGAGW-UHFFFAOYSA-N 334.464 1.897 0 40 EDAB CN(Cc1nc2ccccc2s1)C(=O)CN1CCC(=O)NC1=O 69809439 VWKZBORSSBRCJT-UHFFFAOYSA-N 332.385 1.197 0 40 EDAB CCN1CCCC[C@H]1C(=O)N1CCCN(Cc2nccn2C)CC1 69919135 YLBYKBOUZVFVQQ-INIZCTEOSA-N 333.480 1.329 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)NCc1ccccc1F 69924392 HKESPNHWLICGJG-QZTJIDSGSA-N 347.434 1.917 0 40 EDAB CCOC(=O)C1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC1 8704637 RUHMLBIGRZOEDM-UHFFFAOYSA-N 349.362 1.875 0 40 EDAB C[C@]1([C@H]2CCCN(Cc3ccc4c(c3)CCC4)C2)NC(=O)NC1=O 72300687 QYLWUIHGEVBSOO-QFBILLFUSA-N 327.428 1.985 0 40 EDAB COc1cc(C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)sc1S(N)(=O)=O 84965198 AGNOONADVMYUOE-OCAPTIKFSA-N 330.431 1.132 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)OC[C@@H]1Cc2ccccc2O1 95966347 PXNBAQGZTYECJQ-AWEZNQCLSA-N 336.347 1.943 0 40 EDAB Cn1ccnc1-c1cc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)n(C)n1 95939218 HWFRPPJBHPMCSO-LLVKDONJSA-N 340.391 1.223 0 40 EDAB Cc1cc(C)n(CCCNC(=O)Nc2cccc3c2C(=O)NC3)n1 89594177 KJAFYQIEJWRVNZ-UHFFFAOYSA-N 327.388 1.955 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 89904239 UGUYXLFFIFXOBB-RHSMWYFYSA-N 342.395 1.754 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)O)c1 555127892 WNGSENLXNFVEEE-SSDOTTSWSA-N 329.300 1.148 0 40 EDAB Cn1cncc1CN1CCC[C@@](C)(c2[nH]ncc2S(C)(=O)=O)C1 72388746 NCPILFUEKFQQJB-OAHLLOKOSA-N 337.449 1.100 0 40 EDAB CCOC(=O)[C@]1(N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC 218438373 BRXZXGWTOHDPCK-YCPHGPKFSA-N 325.430 1.410 0 40 EDAB O=C(COc1ccc(F)cc1)Nc1nc2c(s1)C(=O)NCCC2 211129021 TWORLMJVWAHRER-UHFFFAOYSA-N 335.360 1.976 0 40 EDAB NC(=O)[C@H]1CN(CCc2nc(-c3ccc(Cl)cc3)no2)CCO1 77273986 BAVLYRKRJVEYOD-GFCCVEGCSA-N 336.779 1.119 0 40 EDAB C[C@H](NC1(CNC(=O)c2c[nH]nn2)CCOCC1)c1ccccc1 79096106 BGUUTIJKUBMYLV-ZDUSSCGKSA-N 329.404 1.435 0 40 EDAB Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3C(=O)CN)n2)n1 72382977 FKVFRWUEKIWQGN-CYBMUJFWSA-N 327.392 1.249 0 40 EDAB CC(C)OCCN1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1 74390734 ORNYENJROIIBCP-UHFFFAOYSA-N 343.431 1.450 0 40 EDAB Cc1cccc(C[S@](=O)CC(=O)N2CCN(C(=O)C3CC3)CC2)c1 78553996 LVXHNDMHIXHPBH-XMMPIXPASA-N 348.468 1.325 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cnc(C)nc2C)cc1 182692660 FKVSXDRELJCCLX-UHFFFAOYSA-N 348.428 1.110 0 40 EDAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC[C@H]2CCOC2)C1=O 562820076 OBJXESKZJLIHSH-SGTLLEGYSA-N 346.383 1.651 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)Nc2nccs2)[C@@H]1c1ccccc1F 72241637 AFRHDHRJWWOIOZ-QWHCGFSZSA-N 335.360 1.819 0 40 EDAB CSC[C@](C)(O)CNC(=O)C(=O)NCc1ccc(Cl)cc1 75157337 HUALUJZFVPHIHZ-CQSZACIVSA-N 330.837 1.186 0 40 EDAB COCCOc1ncccc1CNC(=O)[C@H]1CCc2[nH]cnc2C1 225513767 PYRRTLZTFLBCRZ-LBPRGKRZSA-N 330.388 1.251 0 40 EDAB COc1ccc(CN2C[C@H]3CN(C(=O)NC(C)C)CCN3C2=O)cc1 85436079 SVLKTLUGKLNJPS-OAHLLOKOSA-N 346.431 1.735 0 40 EDAB biogenic,in-vitro O=C(CN1Cc2cccn2-c2ccccc2C1=O)N1CCOCC1 225378460 QQTKIHUUYLVGKP-UHFFFAOYSA-N 325.368 1.292 0 40 EDAB Cc1nccc(CCC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)n1 573186280 YOXZAESJZHJENU-KRWDZBQOSA-N 338.411 1.807 0 40 EDAB COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2COCCN2C)c1 328937403 CWZCUBCVWDXPEG-ZWKOTPCHSA-N 348.443 1.533 0 40 EDAB COc1ccc([C@H]2SCC(O)=Nc3n[nH]cc32)cc1OCC(N)=O 40283768 CMFDLCHALFHUOX-CQSZACIVSA-N 348.384 1.707 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 40284012 ZEYGYGMMWXNQJB-UHFFFAOYSA-N 335.452 1.401 0 40 EDAB C[C@H]1CCCN(C(=O)CN(Cc2ccccc2F)S(C)(=O)=O)C1 225242930 VIBCKIBRPYAGSV-ZDUSSCGKSA-N 342.436 1.846 0 40 EDAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(CC2CC2)CC[C@@]1(C)O 514289203 FXGNKTREBUNOMA-GBESFXJTSA-N 332.444 1.726 0 40 EDAB biogenic,in-vitro O=C(CCCn1cccn1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 230206229 JURWQAFCLUEHNR-HUUCEWRRSA-N 326.400 1.471 0 40 EDAB CN(C)C(=O)N[C@H]1COC2(CCN(C(=O)Cc3ccccn3)CC2)C1 96220713 ZKNUMEDHTBWISE-OAHLLOKOSA-N 346.431 1.045 0 40 EDAB CN(C)c1ncc(CNC(=O)c2cc3cc(F)ccc3oc2=O)n1C 96426490 MDQPBDDVQMLDCO-UHFFFAOYSA-N 344.346 1.662 0 40 EDAB CCCC(=O)N1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1 96145690 JGOKBRUJORQTTM-STQMWFEESA-N 338.429 1.517 0 40 EDAB CC(C)CCc1noc(CN2CC[C@@](O)(c3cn(C(C)C)nn3)C2)n1 583618149 GGGZCDQFJTXCFV-KRWDZBQOSA-N 348.451 1.924 0 40 EDAB CN1C(=O)CC[C@@]12CCCN(S(=O)(=O)Cc1ccccc1)CC2 96217635 FSLFWPGRLIVXHX-QGZVFWFLSA-N 336.457 1.993 0 40 EDAB CCN1CCCn2c(nc(CNC(=O)c3ccsc3)cc2=O)C1 96197660 QBEXBQWWTOVYKO-UHFFFAOYSA-N 332.429 1.460 0 40 EDAB CC(C)(CO)NC(=O)CCCNS(=O)(=O)c1ccc(Cl)cc1 95116909 ZYUQJCOPQUIFPR-UHFFFAOYSA-N 348.852 1.286 0 40 EDAB CN(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3cnn(C)c3)C2)O1 96206716 YCHUNQVIJLDEIJ-DOTOQJQBSA-N 335.452 1.205 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1 96483582 SOQUDYCXXLBYKM-HOCLYGCPSA-N 349.456 1.863 0 40 EDAB CN(C)c1nccc([C@@H]2C[C@@H]3CCN(c4ncccn4)C[C@H]3O2)n1 96046386 SEPSNAVETWTIJI-AEGPPILISA-N 326.404 1.689 0 40 EDAB CCOC(=O)[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H](O)c1ccncc1 585128593 HEWRVIXQQGMKFY-AHMROAQXSA-N 346.427 1.989 0 40 EDAB CC(C)c1c(C(=O)N2CC[C@H](CC(N)=O)C2)cnn1-c1ccccn1 585083371 YRZODTFJPRQBGI-CYBMUJFWSA-N 341.415 1.728 0 40 EDAB CCN1CC[C@H](NS(=O)(=O)c2ccccc2OC(F)F)C1=O 585080460 VZWNUZVQXYNXDH-VIFPVBQESA-N 334.344 1.187 0 40 EDAB CN(C)CCN1CCO[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2C1 96249587 BTJPZBDRDRVFBE-IEBWSBKVSA-N 335.467 1.910 0 40 EDAB CN(C)Cc1cc(=O)n2c(n1)CN(Cc1ccc(F)cc1)CCC2 96059565 GYRCJYUHNNYNLX-UHFFFAOYSA-N 330.407 1.850 0 40 EDAB C=CC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 585140537 GWMNPLILYWBDIX-ZDUSSCGKSA-N 335.408 1.652 0 40 EDAB CN1CCN(Cc2ccccc2CNC(=O)N(C)CC(C)(C)O)CC1 95411105 YMMHLAPTDKWOKX-UHFFFAOYSA-N 348.491 1.346 0 40 EDAB Cc1cccc(CS(=O)(=O)NCc2nn(C)c3c2COCC3)c1 96104024 GLPJVXVGJWTQNC-UHFFFAOYSA-N 335.429 1.421 0 40 EDAB Cn1ccnc1CN1C[C@@H](C(=O)N2CCCC2)C2(CCOCC2)C1 96063289 CMMUZCQIGORHIR-HNNXBMFYSA-N 332.448 1.271 0 40 EDAB O=C(Cc1cccnc1)N1C[C@@H]2OCCN(Cc3ccncc3)[C@@H]2C1 96081750 JDVFLERSXRBVDV-MSOLQXFVSA-N 338.411 1.131 0 40 EDAB NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)C[C@@H]1OCCc2ccccc21 245358629 ZYTGKKUEZCWQQL-AIGAYMNCSA-N 328.412 1.707 0 40 EDAB COc1ncccc1CN1Cc2cncn2[C@@H](CN2CCCC2=O)C1 247839295 KJJWIAUMGVAMIU-MRXNPFEDSA-N 341.415 1.466 0 40 EDAB O=C(CNC(=O)c1cnc(OCC2CC2)cn1)Nc1cccnc1 253416208 YBUJQPKXTXHHOO-UHFFFAOYSA-N 327.344 1.029 0 40 EDAB O=S(=O)(c1cccnc1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257211122 BXOGSFHBVMQIED-ZDUSSCGKSA-N 343.412 1.921 0 40 EDAB NC(=O)c1ccccc1NC(=O)c1ccnc(OC2CCOCC2)c1 252478454 AMSKVYDZOZDYQY-UHFFFAOYSA-N 341.367 1.991 0 40 EDAB Cc1ncc(-c2cncc([C@H]3CCCN(C(=O)CN(C)C)C3)n2)n1C 257211309 BYKSRINDUUFZSS-AWEZNQCLSA-N 342.447 1.453 0 40 EDAB COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)N[C@@H](C)C[S@@](C)=O)C2 252511070 ZSYXGLMYLKJONB-VKNUTIHJSA-N 330.450 1.128 0 40 EDAB CO[C@H]1CN(C(=O)c2cccc(OCCCN)c2)CC[C@@]12CCCO2 257305208 SOXCXAJJEQRMIX-HKUYNNGSSA-N 348.443 1.824 0 40 EDAB CNC(=O)c1cccc([C@@H]2CNCCN2C(=O)c2ccc(C)nc2)c1 257230633 GDEJKJNLRBSPCA-KRWDZBQOSA-N 338.411 1.536 0 40 EDAB CC(C)(C(=O)NCc1cnc([C@]2(C)CCCCO2)nc1)n1cncn1 257228206 FSULTVUCBWYZCM-KRWDZBQOSA-N 344.419 1.535 0 40 EDAB CCS(=O)(=O)N1CCN(C(C)=O)[C@@H](c2ccccc2OC)C1 257211308 BYKJJVNFHSPXLV-CQSZACIVSA-N 326.418 1.250 0 40 EDAB O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CC(=O)N(C2CC2)C1 280649678 JQQIOWXFWXVHRM-GXFFZTMASA-N 339.317 1.934 0 40 EDAB O=C(NC1(c2ccc(F)cn2)CC1)c1ccc2c(c1)C(=O)NCCO2 1614999130 XNOBSXUNVDWEFP-UHFFFAOYSA-N 341.342 1.762 0 40 EDAB O=C(NCC(=O)N1CC2(CCOCC2)[C@@H]1C1CC1)c1cscn1 1615001178 AVWRBUUSRDTNJK-AWEZNQCLSA-N 335.429 1.291 0 40 EDAB CCc1cc(N2CCC(NC(=O)[C@@](C)(OC)C3CC3)CC2)ncn1 291827540 AUIWOOVHLCNFLC-SFHVURJKSA-N 332.448 1.939 0 40 EDAB COC(=O)c1ccc(C(=O)N2CC[C@H](Oc3ncc(F)cn3)C2)cc1 390827393 GUJHVXJCSDIEFM-AWEZNQCLSA-N 345.330 1.696 0 40 EDAB CCCCN(CC(=O)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 69658949 VZVFHSHBPLQRQU-INIZCTEOSA-N 338.473 1.939 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)C2CCOCC2)CCO1 585279384 YQFLNCGPSHRXRK-LJQANCHMSA-N 333.428 1.554 0 40 EDAB CCS(=O)(=O)NCC[C@H]1CCOC12CN(Cc1ccc(C)o1)C2 585103116 QOZKPPMJROYRDF-AWEZNQCLSA-N 342.461 1.508 0 40 EDAB O=C(Cn1nnc2ccccc21)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 71847719 AEMWTPIQZYWSKE-OAHLLOKOSA-N 349.394 1.349 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NCC1(OCCO)CCCC1 888107072 WYUDHONCHFZYCV-UHFFFAOYSA-N 331.409 1.734 0 40 EDAB O=C(NCCN1CCOCC1)NC[C@@H](c1ccco1)N1CCCC1 44946655 DTTIURPXNDXMDG-HNNXBMFYSA-N 336.436 1.048 0 40 EDAB COc1nccnc1N(C)CC1CCN(C(=O)[C@@H]2CCCCO2)CC1 1776009602 LQMXVWQCYAQESD-HNNXBMFYSA-N 348.447 1.729 0 40 EDAB C[C@H]1CN(C(=O)C2=Cc3ccccc3OC2)C[C@@H]1N1CCOCC1 76054487 KWZUYMFMZBLHPG-YOEHRIQHSA-N 328.412 1.642 0 40 EDAB O=C(O)c1cn([C@@H]2CCN(c3nc(O)c4ccccc4n3)C2)nn1 580828362 KKTOMBSFUVQNNJ-SECBINFHSA-N 326.316 1.077 0 40 EDAB COc1cccc(C(=O)N2CCC(S(C)(=O)=O)CC2)c1OC 96366097 YGWAPJJHHOQQKR-UHFFFAOYSA-N 327.402 1.353 0 40 EDAB O[C@H](CSc1ncccc1Br)CN1CCOCC1 96501758 JCYSFHAUKLNLTJ-JTQLQIEISA-N 333.251 1.629 0 40 EDAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)c3cnn(C)c3C)cc2n1 12337030 RKCNTPPUKWNKNQ-CQSZACIVSA-N 340.387 1.763 0 40 EDAB COCCCNCc1cc(-c2ccccc2)cn2c(=O)n(C)nc12 12337326 DRNHCDTYTCYBGJ-UHFFFAOYSA-N 326.400 1.826 0 40 EDAB COc1cccc(/C=C/C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 13060726 PDSUAAGJARERRR-CMDGGOBGSA-N 332.381 1.995 0 40 EDAB Cc1cc2c(cc1NC(=O)c1cccc(F)c1)n(C)c(=O)c(=O)n2C 13364418 KMRYRPZRSGOLPA-UHFFFAOYSA-N 341.342 1.937 0 40 EDAB NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CCC2=O)cc1 14119677 SKEOKMOERUMHQC-UHFFFAOYSA-N 329.381 1.865 0 40 EDAB CN1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)CC1 15674093 KJRNBPNXZGATER-CVEARBPZSA-N 328.416 1.939 0 40 EDAB biogenic,in-vitro CCOc1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)cc1 5250964 DTTGRVCIXBLTCC-UHFFFAOYSA-N 333.388 1.153 0 40 EDAB Cn1cc(C(=O)C2CCN(C(=O)c3ccccc3F)CC2)c(N)n1 19290252 YKKDVYQWYRQXLB-UHFFFAOYSA-N 330.363 1.877 0 40 EDAB CO[C@H]1C[C@@H](C(=O)N2CCN(c3ccncc3Cl)CC2)N(C)C1 583620068 RVGYSCZAACASRC-WFASDCNBSA-N 338.839 1.103 0 40 EDAB CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(C)C 21899312 SPMQARREESCVSM-WONIAPNHSA-N 342.486 1.787 0 40 EDAB CC(=O)N1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 21822547 BMKJNXIAENHHLU-UHFFFAOYSA-N 326.396 1.946 0 40 EDAB CCN1CCN(C(=O)N[C@H](C)Cc2cc3ccccc3o2)C(=O)C1=O 244933076 BZYRIBMFGISNID-GFCCVEGCSA-N 343.383 1.764 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4csnn4)C[C@H]3C2)cs1 1048964496 JBUNHTCCIYMWII-PHIMTYICSA-N 335.458 1.507 0 40 EDAB COc1ccc(Cl)cc1C(=O)NC[C@@]1(OCCO)CCSC1 1565520338 NXPCOSSWZJGIPF-HNNXBMFYSA-N 345.848 1.963 0 40 EDAB CN(C)Cc1cncc2c1CCN(C(=O)c1cccn(C)c1=O)C2 1565552013 NMDWXWGKZXVWGN-UHFFFAOYSA-N 326.400 1.040 0 40 EDAB Cn1cnc(C(=O)N2CC[C@]3(C[C@@H](Nc4ccccc4)CO3)C2)n1 1565551207 NPVIYFLCJHPZLB-PBHICJAKSA-N 327.388 1.301 0 40 EDAB O=C1CCCN1c1ccc(S(=O)(=O)NCCc2ccncc2)cc1 4623419 QTVBQLSFFQTGRS-UHFFFAOYSA-N 345.424 1.729 0 40 EDAB COc1cccc(C(=O)NCCS(=O)(=O)NCc2ccco2)c1 5301974 GGSYOIIMSKNKEW-UHFFFAOYSA-N 338.385 1.138 0 40 EDAB CCN(CC)C(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2 2055713729 CXHJAZREDNPXIW-CQSZACIVSA-N 332.448 1.940 0 40 EDAB CC(C)NC(=O)c1noc2c1C[C@@H](NC(=O)C1CC(F)(F)C1)CC2 2055772271 PWZZCCYRQVQCRY-JTQLQIEISA-N 341.358 1.832 0 40 EDAB CN(C)Cc1noc2ccc(NS(=O)(=O)c3cn(C)cn3)cc12 1775969643 DMWJKVADHBRERE-UHFFFAOYSA-N 335.389 1.424 0 40 EDAB Cn1cnc2c(NC[C@@H](c3cccs3)N3CCOCC3)ncnc21 624496954 IQXHBALVINLRHY-LBPRGKRZSA-N 344.444 1.910 0 40 EDAB CC[C@H](C(=O)OC)n1cnc2c(nnn2-c2ccc(C)cc2)c1=O 4139880 GYXJVTQWKRIAAS-GFCCVEGCSA-N 327.344 1.410 0 40 EDAB Cc1ccc(-c2nc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)o1 31277173 LKIKHXCSDRKHRH-SECBINFHSA-N 326.399 1.628 0 40 EDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1-n1cccn1 40514132 LKZIZTUOLVMSLE-LBPRGKRZSA-N 345.403 1.797 0 40 EDAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(S(C)(=O)=O)CC1 40520963 YKNKHIHALPSZFK-NSHDSACASA-N 346.836 1.211 0 40 EDAB Cc1c(CC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C 338920 TXVAEXQYNWLYJA-UHFFFAOYSA-N 331.441 1.687 0 40 EDAB O=C1NCCN1C1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 52215570 RGRVLFRHQVCPOU-UHFFFAOYSA-N 333.823 1.977 0 40 EDAB CC1(C)CC(=O)C(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)C(=O)C1 102448964 QIHMEKSQDSTISB-CYBMUJFWSA-N 340.383 1.600 0 40 EDAB CC(C)(C)OC(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 21624017 OOGJYSXCTVLZHJ-VIFPVBQESA-N 348.446 1.481 0 40 EDAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1nccnc1N 22277365 PCWZMGRAVNQCSP-UHFFFAOYSA-N 327.388 1.168 0 40 EDAB CCn1nnnc1SCCS(=O)(=O)c1cc(C)ccc1C 8938836 SRTUFRINOCAHPV-UHFFFAOYSA-N 326.447 1.876 0 40 EDAB O=C1COc2ccccc2N1CC(=O)N(Cc1ccncc1)C1CC1 1361679 RWCIDQQVJVEUJL-UHFFFAOYSA-N 337.379 1.998 0 40 EDAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(C(N)=O)C2)c(OC)c1 42042140 SZALKCBUQJSZIH-NEPJUHHUSA-N 335.404 1.672 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)COc2cccc(S(C)(=O)=O)c2)C1 47368235 ZXXILQBPDQAPOT-BETUJISGSA-N 325.430 1.973 0 40 EDAB CCCNC(=O)[C@H](C)N(C)C[C@@H](c1cccs1)N1CCOCC1 89959123 ZEJFETOIBIIDLK-GJZGRUSLSA-N 339.505 1.968 0 40 EDAB CN1CC[C@H](C(=O)NCc2cccc(Cn3ccnc3)c2)CC1=O 47475789 XYELKAYUBVJGNH-INIZCTEOSA-N 326.400 1.416 0 40 EDAB CCN(CC)c1ccc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1 6630006 CIGHHBFJBOLSKP-UVTDQMKNSA-N 347.440 1.763 0 40 EDAB CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 10146581 XIDFENIDMWCXGK-MRXNPFEDSA-N 332.425 1.631 0 40 EDAB C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc(-n2cnnn2)cc1 58162574 MMEKRGHNOVULIN-LBPRGKRZSA-N 341.346 1.999 0 40 EDAB CC(C)(CNC(=O)c1ccc(N2CCOC2=O)cc1)N1CCOCC1 42827118 SYIRKSWTOANWCW-UHFFFAOYSA-N 347.415 1.484 0 40 EDAB CCSCc1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1 55784993 LZIXVQHCGVYXLG-UHFFFAOYSA-N 336.457 1.918 0 40 EDAB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1cnn(C)c1 56272531 KQOWCKYNBZJTMG-SCOAYWHSSA-N 327.384 1.724 0 40 EDAB COCCN(CCOC)C(=O)COC(=O)c1cccc(Cl)c1 3263109 VLCSFPSUVFLWIC-UHFFFAOYSA-N 329.780 1.618 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)on1 27036271 HBIVJRJSUDXMJR-QWRGUYRKSA-N 344.371 1.992 0 40 EDAB C[C@@H](Nc1ccc(CCN2CCSCC2)cc1)C(=O)NC(N)=O 57958287 OCBKMGIQSSZPEF-GFCCVEGCSA-N 336.461 1.273 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2ccsc2)CC1 27373059 IGXKNFNOIMNSQV-GFCCVEGCSA-N 347.492 1.460 0 40 EDAB COc1ccc(CNC(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1OC 58077749 QMAUVFKNTCRQEM-NSHDSACASA-N 337.420 1.806 0 40 EDAB O=C(Cc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1)N1CCOCC1 12687019 LWDDYAVGLGOMTM-UHFFFAOYSA-N 345.380 1.646 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)NCc2ccccc2)s1 44895116 JQVPLDAXRODKJN-UHFFFAOYSA-N 339.442 1.656 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCCn2ccnc2)C1=O 44889973 YSMVVWFMVYXJIN-ZDUSSCGKSA-N 328.372 1.204 0 40 EDAB Cc1cccc(-c2noc(Cn3c(-c4ncccn4)noc3=O)n2)c1 58298411 RYFSAZLLFYAOGQ-UHFFFAOYSA-N 336.311 1.700 0 40 EDAB CC(=O)N[C@@H](C(=O)Nc1cnc2c(c1)c(C)nn2C)C1CCCC1 48237609 DLSYAHDMNLXHNU-OAHLLOKOSA-N 329.404 1.910 0 40 EDAB COc1cccc(CCNC(=O)N2CCN(c3cnccn3)CC2)c1 44968509 IYPUERWIMAJMBQ-UHFFFAOYSA-N 341.415 1.560 0 40 EDAB CN(CCOc1ccccc1)C(=O)NCc1nnc2n1CCCC2 44972122 RVXJPVVDXQTSLN-UHFFFAOYSA-N 329.404 1.835 0 40 EDAB CC(=O)Nc1nc(C(=O)NC[C@H](C)Cn2nc(C)cc2C)cs1 44953407 MVZPOAJCTJJAPX-VIFPVBQESA-N 335.433 1.981 0 40 EDAB Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)n[nH]2)s1 44934114 IPUIMSYRTMJTGE-UHFFFAOYSA-N 334.445 1.899 0 40 EDAB C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 58341782 FOSPMTAUKYVUEF-NWDGAFQWSA-N 342.440 1.149 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CCCN1Cc1ccccc1 58377900 BRZWXGZTMSAWFL-MRXNPFEDSA-N 339.443 1.847 0 40 EDAB COCCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 2214459 NCULRXVZVFKRQM-UHFFFAOYSA-N 345.428 1.984 0 40 EDAB O=C(CN1CCN(C(=O)c2cccnc2)CC1)Nc1ccc(F)cc1 36389810 RHFKEGZPGWTXCL-UHFFFAOYSA-N 342.374 1.617 0 40 EDAB COc1ccc(-n2ncc(C(=O)NC(C)C)c2C(F)(F)F)nn1 29458444 LPAZNNGIOLYWIP-UHFFFAOYSA-N 329.282 1.828 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N[C@H](C)[C@H](O)c2ccc(F)c(F)c2)C1 110692262 IJBBGMDACFPNEJ-HFAKWTLXSA-N 348.415 1.953 0 40 EDAB CCN1CCN(C(=O)CCCNC(=O)OCc2ccccc2)CC1 48369583 HHYJCLZWGKSXDY-UHFFFAOYSA-N 333.432 1.857 0 40 EDAB COc1ccccc1C(=O)NC[C@H](c1cccn1C)N1CCOCC1 21152294 MZKRXYVTUMMURA-QGZVFWFLSA-N 343.427 1.837 0 40 EDAB COCCN1CCCN(C(=O)c2cnc3c(cnn3C(C)C)c2)CC1 48427951 IJXHYCFMSDGUAA-UHFFFAOYSA-N 345.447 1.807 0 40 EDAB CN(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 3505469 FPKXVSAZJBXNAL-UHFFFAOYSA-N 329.400 1.900 0 40 EDAB CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccccc1OC 84736387 CKBQWARXNMZNGH-ZFWWWQNUSA-N 326.462 1.845 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 75606513 YUKNHROLGMXYMC-IAGOWNOFSA-N 332.444 1.604 0 40 EDAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 4142628 HWGDPWQYIQOKHA-XDNAFOTISA-N 340.423 1.854 0 40 EDAB CCNC(=O)CN1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 64556349 YMVLDDRIEOTTLV-UHFFFAOYSA-N 345.422 1.265 0 40 EDAB CC1(C)COCCN1C(=O)CCCC(=O)N1CCOCC1(C)C 64812126 RIZCOVAVWKMZES-UHFFFAOYSA-N 326.437 1.432 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCCC1=CCCCC1 65440699 CKQZVDIVZDHOFU-HNNXBMFYSA-N 343.493 1.990 0 40 EDAB CCO[C@H]1CCCN(C(=O)NCc2cccnc2OCCOC)C1 65592354 QOTAVCQLTOWXPR-HNNXBMFYSA-N 337.420 1.817 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCSc2c(F)cccc21 14134560 WQAVLAINQFTLGK-NSHDSACASA-N 335.360 1.029 0 40 EDAB CC(C)n1nnc(-c2ccc(C(=O)NCCc3c[nH]cn3)cc2)n1 96231738 SDODVSIAFQZAHB-UHFFFAOYSA-N 325.376 1.617 0 40 EDAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(C)c(=O)n1N 4854845 RPBYEICYLOXIKY-UHFFFAOYSA-N 339.808 1.353 0 40 EDAB Cc1ccc(OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1C 6993100 WZIKBORSQFURPS-UHFFFAOYSA-N 345.399 1.968 0 40 EDAB COc1ccc(C(=O)NCCONC(=O)c2ccc(OC)cc2)cc1 5916849 BLTIRSZXFMZBRU-UHFFFAOYSA-N 344.367 1.795 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)n(C)n1 96485010 KWUKAJMOYLNFCI-CZUORRHYSA-N 330.363 1.569 0 40 EDAB COc1ccc(CCC(=O)N2CCN(c3ncccn3)CC2)cc1F 71869695 KRYFROPXEZMQGA-UHFFFAOYSA-N 344.390 1.906 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cc(C)nc3[nH]nc(C)c13)C2 71864856 MUQIVZXIRSBSQV-UHFFFAOYSA-N 325.376 1.385 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)NCc1cccnc1-n1cncn1 71857249 VSHUFEQXXILGAU-AWEZNQCLSA-N 330.392 1.373 0 40 EDAB Cc1ccccc1CNC(=O)CNC[C@H]1CCCN1c1cccnn1 71859871 CJOFALSPVUHRCU-QGZVFWFLSA-N 339.443 1.660 0 40 EDAB O=C(OCc1ccccc1)[C@H]1CCCN1CCC(=O)N1CCOCC1 68857548 MCCCFXFZSAHSRL-QGZVFWFLSA-N 346.427 1.443 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)NCC(=O)NC(C)C 8058302 GZVLQMYBNXEUID-UHFFFAOYSA-N 349.250 1.560 0 40 EDAB CCc1nc([C@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)CCO2)n[nH]1 83829721 KTWABIFAAPGXRS-ZIAGYGMSSA-N 335.452 1.532 0 40 EDAB O=C(Nc1cnn(CCN2CCOCC2)c1)[C@H]1COc2ccccc21 70009750 HKPKVFUURFASNO-INIZCTEOSA-N 342.399 1.330 0 40 EDAB CCOC(=O)c1cnn(CCN2CCC[C@H](c3nc(C)no3)C2)c1N 70039366 QJCKUVQZLKSAFT-LBPRGKRZSA-N 348.407 1.213 0 40 EDAB CCN1C[C@@H](C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1=O 69392826 AFJQUAWAGOTILC-GJZGRUSLSA-N 349.500 1.945 0 40 EDAB NC(=O)c1ccc(NC(=O)CCN2CCO[C@H]3CCCC[C@@H]32)cc1 69322816 OBABXJKHVLEPSW-HOTGVXAUSA-N 331.416 1.758 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)C1 69351137 RPTNZSWAJMAHIH-MJBXVCDLSA-N 332.466 1.294 0 40 EDAB Cc1noc([C@H](C)N2CCN([C@@H](C)C(=O)NCC(F)(F)F)CC2)n1 69437151 CAOZONBYJAFSCH-UWVGGRQHSA-N 349.357 1.124 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)cc1 69418272 CNKVIARHTKBOTD-AWEZNQCLSA-N 348.428 1.269 0 40 EDAB Cc1cn2nc(N3CCN(Cc4nccn4C)[C@H](C)C3)sc2n1 69490444 PGPQUJUGTITJRS-GFCCVEGCSA-N 331.449 1.543 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)N1CCN(c2ccccn2)CC1 69586128 AMFVHIOKNKSTPI-UHFFFAOYSA-N 349.435 1.438 0 40 EDAB C[C@@H](C(=O)N1CCOCC1)N1CCCN(Cc2ccccc2F)CC1 69533598 RKKADPPRZQESTN-INIZCTEOSA-N 349.450 1.581 0 40 EDAB O=c1[nH]c(CCN2CCC[C@@H](Cn3cncn3)C2)nc2ccccc12 69622551 CMFHTKPNTWHFMM-CQSZACIVSA-N 338.415 1.469 0 40 EDAB C[C@H](Sc1nnc(C2CC2)o1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 9690842 KRPKANAKVJSNHY-WCBMZHEXSA-N 345.446 1.073 0 40 EDAB Cc1nc(COC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)no1 69870222 UJIVZGUDPHHFKY-CYBMUJFWSA-N 331.328 1.853 0 40 EDAB CN1CCN([C@H](C(=O)NCCc2cccnc2)c2ccccc2)CC1 69844651 KFZQNUBGJXGFDJ-IBGZPJMESA-N 338.455 1.729 0 40 EDAB Cc1ccc(NC(=O)CSCC(=O)N2CCC[C@@H]2C(N)=O)cc1 69897029 NWJAOZWKAAVOHF-CYBMUJFWSA-N 335.429 1.143 0 40 EDAB CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(N(C)C)nn2)C1 69848626 KXBRCRSPSVIQRL-CYBMUJFWSA-N 328.420 1.779 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)C2(c3ccc(C)c(OC)c3)CC2)CC1 69920784 LJFOWOMDJCYKES-QGZVFWFLSA-N 346.471 1.950 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCCN(c2cccnn2)CC1 69948838 BCNGBKQODNVMNS-UHFFFAOYSA-N 340.383 1.600 0 40 EDAB Cc1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c(C)c1 8707571 YAHQTIDLXRCINU-UHFFFAOYSA-N 325.372 1.776 0 40 EDAB C[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 96844823 SJSOJXVJXWYDPF-QJPTWQEYSA-N 338.367 1.263 0 40 EDAB O=C(CC(=O)NCC(F)(F)F)NC[C@H]1CCOc2ccccc21 97052571 GBPZQAIPTWYXQI-SNVBAGLBSA-N 330.306 1.738 0 40 EDAB C[C@H](NC(=O)CNC[C@H]1CCCN1c1cccnn1)c1cccs1 72276720 DNPLQPDMUWEEKF-UONOGXRCSA-N 345.472 1.974 0 40 EDAB O=C(CN1C(=O)CCc2ccccc21)N1CCC[C@H](n2cncn2)C1 72277491 JYNGYLMJVDJTFC-HNNXBMFYSA-N 339.399 1.421 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@]1(C)Cc3ccccc3C(=O)O1)C2 72278899 IFNQYPOVBYMEIH-IFXJQAMLSA-N 339.395 1.794 0 40 EDAB CC(C)[C@@H]1CN(C)CCN1Cc1cnc(N2CCN(C)CC2)nc1 97139323 IYDOGEPYTVSMHF-KRWDZBQOSA-N 332.496 1.000 0 40 EDAB CN(C)CCCCN(C)S(=O)(=O)N1CCc2ccccc2C1 85295772 FTRUGYOARBNIPJ-UHFFFAOYSA-N 325.478 1.563 0 40 EDAB O=C(Nc1ncccn1)C1CCN(C[C@H](O)c2ccccc2)CC1 95951632 OSMZMISZMKFDFQ-INIZCTEOSA-N 326.400 1.861 0 40 EDAB C[C@H]1CCCN1C(=O)CCN1CCN(C2=NCC(C)(C)S2)CC1 85821420 WIRXSKOCDLOOKJ-AWEZNQCLSA-N 338.521 1.886 0 40 EDAB CN(C)C1CCN(C(=O)NCc2ccccc2Cn2cncn2)CC1 89314073 UVSCUPDZLAORLW-UHFFFAOYSA-N 342.447 1.562 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)N[C@H]3CCCCNC3=O)cn2)n1 89595694 ZGNKDFDKWJPYJS-AWEZNQCLSA-N 342.403 1.674 0 40 EDAB O=C(NCCCCN1CCN(CCO)CC1)Nc1ccc(F)cc1 75138787 XPDDNBPLANCOKL-UHFFFAOYSA-N 338.427 1.337 0 40 EDAB CC(C)CNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 22509979 VRLQWTXSRKHSRX-CYBMUJFWSA-N 346.836 1.639 0 40 EDAB O=C(COc1ccccc1F)NCCn1c(=O)oc2ccccc21 78606878 UFCPEIJMJPIVNB-UHFFFAOYSA-N 330.315 1.929 0 40 EDAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3cccs3)C[C@H]1C2 306136633 PYUPQMAVRVPSLI-NEPJUHHUSA-N 343.456 1.536 0 40 EDAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCC[C@H]1CCCN1 515234052 XGQNTVLDOIOSDA-GFCCVEGCSA-N 332.370 1.863 0 40 EDAB Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2nncn2C)c1F 125883501 KIJPKNHWSKSZMV-LBPRGKRZSA-N 331.351 1.565 0 40 EDAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1 7248561 WIXCKAGCKJHHOH-JQVXPOPVSA-N 343.470 1.886 0 40 EDAB O=C(c1cccs1)N1CC(C(=O)N2CCC3(CC2)OCCO3)C1 62022592 FMBXCTPAWSWYKN-UHFFFAOYSA-N 336.413 1.186 0 40 EDAB Cc1cc(=O)n(CC(=O)N[C@H](c2cccs2)C2CCOCC2)cn1 675008438 YRMAYSGGROAHKT-KRWDZBQOSA-N 347.440 1.897 0 40 EDAB COC(=O)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C(=O)OC 24829478 YHQYRGCWKKVWTA-BXKDBHETSA-N 343.763 1.328 0 40 EDAB O=C(Cn1cnnn1)NCC1CCN(Cc2ccccc2Cl)CC1 78610597 QDSPYAARWTXSAH-UHFFFAOYSA-N 348.838 1.355 0 40 EDAB O=C(c1cnc(OCC2CC2)cn1)N1CCC(n2cnnc2O)CC1 568446023 CGCMVYUIPQYBBJ-UHFFFAOYSA-N 344.375 1.040 0 40 EDAB COc1ccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)cc1 77261737 CWFDKTNQCQOTFK-QBPKDAKJSA-N 328.368 1.098 0 40 EDAB biogenic,in-vitro C[C@@H]1CCN(C(=O)C(=O)Nc2cccn(C)c2=O)[C@H](c2ccco2)C1 126924534 NTIDFMGDTGNLIN-OCCSQVGLSA-N 343.383 1.917 0 40 EDAB c1cnc(N2CCC[C@@H](Cc3ccc(N4CCOCC4)nn3)C2)nc1 72387280 NJPBHXNTOMTQOI-HNNXBMFYSA-N 340.431 1.562 0 40 EDAB Cc1cn2nc(N[C@H]3CCN(C(=O)c4cccs4)C3)ccc2n1 568978992 JXMPFQRMGHLKAH-LBPRGKRZSA-N 327.413 2.426 0 40 EDAB Cc1cc(C(=O)NCc2nnc3cc(-c4nc(C)no4)ccn23)[nH]n1 225746061 XHYRISMPJSNWAR-UHFFFAOYSA-N 338.331 1.049 0 40 EDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCCC1 80337933 YTILVZILDNQOSV-OAHLLOKOSA-N 330.432 1.529 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](Oc2cnccn2)C1 225474691 GGFCANFBEKICEZ-CQSZACIVSA-N 329.404 1.819 0 40 EDAB C[C@H]1Oc2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2NC1=O 227168400 QGONSXASXKWKQF-SNVBAGLBSA-N 336.369 1.820 0 40 EDAB Cn1cnc(S(=O)(=O)NCc2ccc(-c3cccnc3)nc2)c1 225766719 HHXSLRQMJUECEZ-UHFFFAOYSA-N 329.385 1.356 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)c2cnc3sccn3c2=O)CC1 223205023 OKAVGUYOPVTJHW-UHFFFAOYSA-N 348.428 1.133 0 40 EDAB CCN1C[C@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1=O 62230380 DEHMSOXCFCRHSP-ZWKOTPCHSA-N 343.471 1.883 0 40 EDAB COCCCN(C)C(=O)N1CCN(c2ncccc2Cl)CC1 190546101 UKTJAQBFTDJSOC-UHFFFAOYSA-N 326.828 1.945 0 40 EDAB Cc1ccc(C)c(SCC(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 44894590 SCAPCBLFGMNPIR-UHFFFAOYSA-N 347.440 1.596 0 40 EDAB CCOCc1nn2c(=O)cc(COC(=O)CC(C)C)nc2s1 41077289 MPVJVSPFAYPFCH-UHFFFAOYSA-N 325.390 1.777 0 40 EDAB CCN1CCN([C@@H](C)CNS(=O)(=O)c2sc(C)nc2C)CC1 190908865 MHGPLIABCOXXPM-NSHDSACASA-N 346.522 1.064 0 40 EDAB CC(=O)N[C@H](C)C(=O)NC[C@H](C)Oc1cccc(Br)c1 96431859 UCRDDPWTMUABAC-VHSXEESVSA-N 343.221 1.857 0 40 EDAB OCCn1ncc2c(N3CCN(Cc4ccsc4)CC3)ncnc21 97200311 WNVPJOXFEUZHGE-UHFFFAOYSA-N 344.444 1.202 0 40 EDAB C1CC(CN2CCOC[C@]3(CCN(C4CCOCC4)C3)C2)CCO1 96062338 XANRXDAMMQTVAV-LJQANCHMSA-N 338.492 1.616 0 40 EDAB CNC(=O)Cn1ccc2ccc(NC(=O)CNCC(F)(F)F)cc21 96440920 FTRIFUYFDJCIOW-UHFFFAOYSA-N 342.321 1.478 0 40 EDAB Cc1noc(C)c1CCNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C 579016835 COPZWKLPQUMEAS-GDBMZVCRSA-N 332.404 1.852 0 40 EDAB Cc1nnc([C@@]23CCO[C@@H]2CCN(C(=O)Cc2ccccn2)C3)o1 96038811 LEOVWMYYDMIRHD-RHSMWYFYSA-N 328.372 1.275 0 40 EDAB O=C([C@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1)N1CCCCO1 96057570 NCZHVTOKCFNFRX-MGPQQGTHSA-N 337.445 1.819 0 40 EDAB O=C(O)CCC(=O)NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1 96112864 YTHQVFZDWAINSJ-ZDUSSCGKSA-N 329.356 1.430 0 40 EDAB biogenic,in-vitro CN(C)CC(=O)N1CCc2c(nnn2C)[C@H]1COCc1ccccc1 96045327 NYXAMGVXLHPTGN-MRXNPFEDSA-N 343.431 1.019 0 40 EDAB CN1CCN([C@@H]2CCN(C[C@H]3CCOC3)[C@H]2Cc2cccnc2)CC1 96070041 HARQSXIXHFXPSW-AQNXPRMDSA-N 344.503 1.351 0 40 EDAB O=C(NCCCn1ccnn1)N[C@@H]1CCCN(C2CCCCC2)C1 96502165 CYKYCXVPURWURZ-OAHLLOKOSA-N 334.468 1.765 0 40 EDAB CN(C)C[C@@H]1CO[C@]2(CCCN(C(=O)c3cnc4ccccn34)C2)C1 96090136 CRZMAJAHDSODAQ-DNVCBOLYSA-N 342.443 1.907 0 40 EDAB C[C@H](O)c1cn(C2CN(C(=O)NCCc3ccc(F)cc3)C2)nn1 585137007 CLNSQQNVMNZELS-NSHDSACASA-N 333.367 1.280 0 40 EDAB c1cc(CN2CCOC[C@]3(C2)CN(C[C@@H]2CCOC2)CCO3)ccn1 96229435 NIZUIXPMYNVJKN-OALUTQOASA-N 347.459 1.021 0 40 EDAB CC(=O)N1CCCc2sc(C(=O)N3CCC(N(C)C)CC3)nc21 96264676 PNCMYKZHKUNKKN-UHFFFAOYSA-N 336.461 1.608 0 40 EDAB CCc1nnc(NC(=O)COCc2nc(-c3cccnc3)no2)s1 96182065 MBKYCDMIKCLMQN-UHFFFAOYSA-N 346.372 1.701 0 40 EDAB O=C([C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1)N1CCOCC1 96042936 AAVBXYDLTRVHOB-HRCADAONSA-N 336.457 1.586 0 40 EDAB Cc1cc(N2C[C@H](C(=O)Nc3nnn(C)c3C)CC2=O)ccc1F 582533210 VOTFVVCKLORKKL-LLVKDONJSA-N 331.351 1.563 0 40 EDAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(O)c1 96116131 AEHGORRZXVTLQV-OAHLLOKOSA-N 339.351 1.862 0 40 EDAB biogenic Cn1cnc2c1[C@H](C(=O)NC1CCCC1)CN(C1CCOCC1)C2 248071962 XUDQLLHGZUAHSV-OAHLLOKOSA-N 332.448 1.557 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](C)(C(=O)OC)N[C@H]2c1ccc(C)cc1 245230659 WBUOAAWGZNQQAU-AHXJXLJNSA-N 330.384 1.192 0 40 EDAB Cc1cc(CN2CC3(C[C@H](OCC(=O)N(C)C)CS3)C2)no1 247981575 JMGQBMCNFJGKPD-ZDUSSCGKSA-N 325.434 1.148 0 40 EDAB Nc1nccnc1C[C@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 257280524 OLFIVHDSFGZWHM-LLVKDONJSA-N 337.387 1.425 0 40 EDAB O=C(CCc1cccs1)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257272390 NCFMFBPLUVHPNI-ZDUSSCGKSA-N 347.440 1.894 0 40 EDAB CCOc1ccc2nnc(CNC(=O)C3(c4ccccc4)CC3)n2n1 253396221 DJDOTTNVUOXCRN-UHFFFAOYSA-N 337.383 1.871 0 40 EDAB CCc1nnsc1C(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257318330 VNKYYWKSTKUJGB-MGPQQGTHSA-N 348.428 1.586 0 40 EDAB Cc1cnn(CC(=O)N2CCOC[C@H]2CCc2nccnc2C)c1 257249706 JJKGSGRIOUEDSX-OAHLLOKOSA-N 329.404 1.150 0 40 EDAB Cc1cccc2nc(C(=O)N[C@@H]3CC[C@@H](N4CCCC4)[C@@H]3O)cn12 257232067 GJHNHXBGSYFHEG-FRFSOERESA-N 328.416 1.360 0 40 EDAB Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]32)nn1 257322730 WHDPMGRJTRJOPA-IJEWVQPXSA-N 338.415 1.562 0 40 EDAB CCc1nccn1CC(=O)N1CCC[C@@]2(C)[C@H]1CCCN2C(C)=O 257201368 AHJZESBMRQRMHN-QAPCUYQASA-N 332.448 1.838 0 40 EDAB CC(C)N1C[C@H](Nc2nc(N(C)C)cc(C(F)(F)F)n2)CC1=O 590054801 WGGMBWVOFZZSLX-SECBINFHSA-N 331.342 1.983 0 40 EDAB COC1(CC(=O)N[C@H]2CCc3cc(C(=O)O)ccc3NC2=O)CCC1 1615056005 SNKGYORRAOMPNQ-AWEZNQCLSA-N 346.383 1.714 0 40 EDAB FC(F)(F)c1ccc(CCn2nnnc2N2CCOCC2)cc1 1616031825 BWKYZTKMPDTHDB-UHFFFAOYSA-N 327.310 1.771 0 40 EDAB COc1c(F)ccc(F)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 390835355 LQYLURLOOCODJP-UHFFFAOYSA-N 342.323 1.873 0 40 EDAB COCC(=O)N1Cc2ccnn2[C@H](COCc2cccc(C)n2)C1 575405517 IRNFTJQPKMGRHE-INIZCTEOSA-N 330.388 1.333 0 40 EDAB O=C1CCCCN1C[C@@H]1CCC2(CN(C(=O)[C@@H]3CCOC3)C2)OC1 575404482 MXODOJKRVJSEJC-LSDHHAIUSA-N 336.432 1.043 0 40 EDAB Cc1n[nH]c(C)c1-c1cncc(C[C@H]2CCN(S(C)(=O)=O)C2)n1 585180224 PRFKCXPCBLTQEJ-GFCCVEGCSA-N 335.433 1.308 0 40 EDAB CCn1ncc(Cl)c1C(=O)N1CCC[C@]1(COC)CC(N)=O 585278994 ROYACGTTYFNGRC-CQSZACIVSA-N 328.800 1.053 0 40 EDAB Cc1cc(NC(=O)NCc2c(C)nc3c(c2C)c(=O)[nH]n3C)no1 72285622 MXHLECYMQCKINT-UHFFFAOYSA-N 330.348 1.497 0 40 EDAB C[C@@H](CNC(=O)NCCc1cnn(C)c1)N1CCc2sccc2C1 46993057 GCHRTKKVEJBINR-ZDUSSCGKSA-N 347.488 1.770 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)OCc1ccccn1 48324219 WUZVHUKTFUBXIF-UHFFFAOYSA-N 336.351 1.821 0 40 EDAB CCN(CC)Cc1nc(C2(NS(=O)(=O)N(C)C)CCCC2)no1 95956421 WUAKYJGOILXEIN-UHFFFAOYSA-N 345.469 1.077 0 40 EDAB Cc1nc(C)n(-c2ccccc2NC(=O)NCc2noc(C)n2)n1 89260785 RBXGYTVVTFJGOM-UHFFFAOYSA-N 327.348 1.897 0 40 EDAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)O)c1 108137185 XXNCTCBUFNGREL-GXTWGEPZSA-N 341.429 1.706 0 40 EDAB Cc1nc(Cl)cc(NCCc2ccc(S(N)(=O)=O)cc2)n1 60342818 NZOIZNPXAQBLRA-UHFFFAOYSA-N 326.809 1.740 0 40 EDAB CC[C@@H](C)n1ncc(C(=O)N2CCN([C@@H](C)C(N)=O)CC2)c1C1CC1 90050130 BODXIXAKEXMRIO-OLZOCXBDSA-N 347.463 1.363 0 40 EDAB COCCNC(=O)CNC(=O)Nc1cccc(Br)c1 40477762 LVCWVBOWPSPRNQ-UHFFFAOYSA-N 330.182 1.333 0 40 EDAB Cc1cc(S(=O)(=O)NCC2(OCCO)CCCC2)ccc1F 952964725 NTVYAJATZHBGAH-UHFFFAOYSA-N 331.409 1.734 0 40 EDAB COc1cc(C2=NO[C@@H](C(=O)N3CCCC3)C2)cc(OC)c1OC 5030999 RLDXQUPWBVYZGI-OAHLLOKOSA-N 334.372 1.828 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 5954034 RWVXLLDXUVKMSS-NWDGAFQWSA-N 328.434 1.764 0 40 EDAB CC1CCN(C(=O)Cn2ncn3c(cc4ccsc43)c2=O)CC1 12181561 SKTFIQCUTHZHLU-UHFFFAOYSA-N 330.413 1.969 0 40 EDAB NC(=O)c1ccc(COC(=O)CNC(=O)Cc2ccccc2)cc1 16811647 NEANEAHKKBDVCV-UHFFFAOYSA-N 326.352 1.188 0 40 EDAB O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1c(F)c(F)c(F)c(F)c1F 17067942 QMCJUFVZYPZBEC-FSIIMWSLSA-N 331.196 1.825 0 40 EDAB CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 17127489 UMFUSDSAOGZWSE-UHFFFAOYSA-N 342.436 1.999 0 40 EDAB CC(=O)N[C@H]1CN(C(C)=O)C2(CCN(c3cc(C)nc(C)n3)CC2)C1 19704168 OBBHDQCNPOVIHD-MRXNPFEDSA-N 345.447 1.189 0 40 EDAB Cc1cccc(CCNC(=O)c2ccc(=O)n(CC(=O)N(C)C)c2)c1 19749330 LKYKTFDOJGRPOU-UHFFFAOYSA-N 341.411 1.217 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)no1 225504355 KHACAGXWCVWNBZ-LBPRGKRZSA-N 331.376 1.523 0 40 EDAB CO[C@H](CNC(=O)CN1C(=O)CCC1=O)c1ccc(Cl)s1 225700968 DGOUPNPTVZWABZ-MRVPVSSYSA-N 330.793 1.354 0 40 EDAB O=S(=O)(C1CC1)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888855946 ZDJGBIIQSOUYHE-XHDPSFHLSA-N 341.408 1.589 0 40 EDAB Cc1ccc(OC[C@H]2CCN(c3c(C)c(C)nc4ncnn34)C2)nn1 1888870041 BBOLTGUJWIOFJF-AWEZNQCLSA-N 339.403 1.745 0 40 EDAB C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1cc2ccccc2o1 22316112 NTLWQSLZGWVMEC-JTQLQIEISA-N 329.356 1.940 0 40 EDAB Cc1ccc([C@@H](NCC(=O)N2CCNC(=O)C2)c2ccccc2)cc1 24227624 BQXXGCHLIZSHKM-FQEVSTJZSA-N 337.423 1.632 0 40 EDAB CN1c2ccccc2N(CCNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)S1(=O)=O 245053657 PFFHZARYDKYIHT-MELADBBJSA-N 347.440 1.516 0 40 EDAB CC(C)[C@@H](Cn1nccn1)NC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 253471540 DEXRQGGPNIRPIW-TZMCWYRMSA-N 346.387 1.615 0 40 EDAB COc1nccn2c(CNC(=O)c3cc(-c4ccco4)n[nH]3)nnc12 253473354 UIKTWLQYWSHAPZ-UHFFFAOYSA-N 339.315 1.046 0 40 EDAB CCOc1ccc(-n2ccn(CC3CCOCC3)c(=O)c2=O)cc1 2086968374 GRDLPJXXVPIGKJ-UHFFFAOYSA-N 330.384 1.825 0 40 EDAB CN(C)c1cc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)ncn1 2087121974 UPQICFRYJRTJDT-UHFFFAOYSA-N 341.463 1.087 0 40 EDAB COCCN1CCCC2(CCN(C(=O)C3CC(F)(F)C3)CC2)C1=O 1565551055 ITYQXEOLZDGYRV-UHFFFAOYSA-N 344.402 1.909 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 1565555576 DFXRIZUIVAUMSA-IRXDYDNUSA-N 346.427 1.785 0 40 EDAB CCCc1nnsc1C(=O)N1CCN(c2nccs2)C(=O)C1 1565522840 AEHKXZVWQLQQGJ-UHFFFAOYSA-N 337.430 1.436 0 40 EDAB Cn1cc(C(=O)N2CCOCC2)c2nn(-c3ccccc3)c(=O)c-2c1 9661296 KEZKHMHZDWBEDW-UHFFFAOYSA-N 338.367 1.148 0 40 EDAB Cc1cc(NC(=O)C(=O)NCCCc2ccc(N(C)C)cc2)no1 11693745 DVJNDTFLVMGBOC-UHFFFAOYSA-N 330.388 1.737 0 40 EDAB COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 16915619 VARISTKJGATEJA-UHFFFAOYSA-N 338.319 1.951 0 40 EDAB O=C(NC1CC1)[C@H]1CN(c2ncc(Br)cc2F)CCO1 2086850153 IPPCMJBCELEMNZ-LLVKDONJSA-N 344.184 1.467 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(c2ncccc2Br)CCO1 2086850143 HLKIYSALSRGYPG-NSHDSACASA-N 326.194 1.328 0 40 EDAB O=C(c1nc2ccccc2s1)N1CC(N2C(=O)CSC2=O)C1 206954992 VAHADKFUWBJNRX-UHFFFAOYSA-N 333.394 1.816 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCCC[C@@H](c2ccc(F)cc2)C1 208002261 CHZJHSJBZMUCJF-OAHLLOKOSA-N 342.436 1.972 0 40 EDAB CCNC(=O)c1nc(C(=O)NCc2cc(OC)ccc2OC)cs1 49408675 YDZZWKVDCIVHQN-UHFFFAOYSA-N 349.412 1.840 0 40 EDAB O=C(NCCN1C(=O)COC1=O)c1cc(Br)cs1 575617551 XAVWJDTUVIRAPU-UHFFFAOYSA-N 333.163 1.219 0 40 EDAB NC(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1 9050635 XCZHEBYVPGRKHZ-UHFFFAOYSA-N 340.362 1.656 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1C[C@@H](C)O[C@H](C)C1)C2=O 21898009 FKWFUYZRQFVCJI-ZBYUQBLASA-N 337.420 1.123 0 40 EDAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCCCn1cccn1 30166954 BDGDOMAEMGKGQC-HNNXBMFYSA-N 326.400 1.981 0 40 EDAB COCCn1nc(C(=O)N2CCCc3cc(C)ccc32)ccc1=O 40467833 YFPFLRRQWSBZNV-UHFFFAOYSA-N 327.384 1.791 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 40527207 FUEHIIOAFNJIMZ-SLZMIMFISA-N 332.429 1.995 0 40 EDAB CC(C)OCCCNC(=O)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32093006 VJKRAXKDWHPSBV-CQSZACIVSA-N 346.435 1.272 0 40 EDAB Cc1occc1C(=O)N1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 51467038 XKVGUCTYDYJTFS-ZDUSSCGKSA-N 328.434 1.768 0 40 EDAB c1csc([C@@H](CNc2ncnc3[nH]cnc23)N2CCOCC2)c1 41025920 QWBDWICWUSPNST-LLVKDONJSA-N 330.417 1.900 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)Cc1nc2c(cnn2C)c(=O)[nH]1 52799327 FUGNRRRIMFSIJI-UHFFFAOYSA-N 327.344 1.017 0 40 EDAB NC(=O)CN(CC(=O)NC1CCC(C(F)(F)F)CC1)C1CCCC1 52826600 KHNDBSFROOZVPK-UHFFFAOYSA-N 349.397 1.954 0 40 EDAB O=c1/c(=C/c2ccncc2)sc2n1CN(c1ccc(F)cc1)CN=2 521912 COBJPSYUXNPPDZ-DHDCSXOGSA-N 340.383 1.328 0 40 EDAB C[C@@H]1C[C@H](OC(=O)Cn2cnc3c(oc4ccccc43)c2=O)C(=O)O1 60982513 JQDDDTQMRRJNNF-SKDRFNHKSA-N 342.307 1.390 0 40 EDAB CCOc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1Cl 558142 NNEQRXLLUDVVIG-UHFFFAOYSA-N 340.796 1.389 0 40 EDAB CN(Cc1ccco1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 47071052 DQTXBENMCZNFAT-INIZCTEOSA-N 339.461 1.629 0 40 EDAB CCOc1ccc(-c2noc(Cn3cnnc3[S@](C)=O)n2)cc1 78995995 CLTOPVOTFRWTKO-HSZRJFAPSA-N 333.373 1.513 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)Cn2ccc(C(F)(F)F)n2)C1 41977564 TVBLKHXGRHLQMF-GFCCVEGCSA-N 348.369 1.375 0 40 EDAB COc1ccccc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 3440772 ASMMTRRJOSDHLZ-UHFFFAOYSA-N 342.398 1.143 0 40 EDAB COCCCN(C)C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 72293183 RSVZNHZLJKBFGY-UHFFFAOYSA-N 348.447 1.889 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)c3ccc(F)cc3)nc2n1 6057313 GTPQDUKIEGZDSF-UHFFFAOYSA-N 328.303 1.920 0 40 EDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 6636624 IVJFWWOBZNJGBW-UHFFFAOYSA-N 328.434 1.493 0 40 EDAB CC[C@H](C)NC(=O)COC(=O)c1ccc2c(c1)nc(C)c(=O)n2CC 7576652 NBPRBXNOGQQAHE-NSHDSACASA-N 345.399 1.796 0 40 EDAB COc1ccc(CN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1F 54417805 NFIHZINHJWKWIY-UHFFFAOYSA-N 331.351 1.436 0 40 EDAB O=C1O[C@H](C(=O)N2CCC[C@@H](n3cncn3)C2)Cc2ccccc21 72234780 BGSRUQYKNPDZBN-HIFRSBDPSA-N 326.356 1.223 0 40 EDAB O=C(NCCc1n[nH]c(-c2ccco2)n1)C(=O)Nc1cccc(F)c1 72291128 HKFCIBLQUMMQHR-UHFFFAOYSA-N 343.318 1.501 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 8315845 JNVIVGPVIWLEBN-BBATYDOGSA-N 327.384 1.437 0 40 EDAB COc1cc2nc(CN3C[C@H](C)O[C@H](C)C3)[nH]c(=O)c2cc1OC 12529845 QUMFPKPMFLDISL-PHIMTYICSA-N 333.388 1.550 0 40 EDAB CCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 107645497 CGJQBHXKNONPJT-NSHDSACASA-N 344.433 1.287 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)CN(C)c2cnccn2)CC1 48099878 FLTORFPOUFEJSC-UHFFFAOYSA-N 339.443 1.566 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(N2CCOCC2)nc1 48070303 VYIQMUFNPBEBEZ-ZDUSSCGKSA-N 330.392 1.325 0 40 EDAB NC(=O)C1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 9062805 TUSVHTDJZKTESY-UHFFFAOYSA-N 329.444 1.623 0 40 EDAB C[C@H](C(=O)NCc1ccco1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102082352 WOQIPDDHNXWATN-DCRPOMDMSA-N 340.379 1.337 0 40 EDAB Cc1cc(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)ccc1F 72292238 OBQQBTSZARBRJF-UHFFFAOYSA-N 343.406 1.953 0 40 EDAB CC[C@@H](C)[C@H](N)c1nnc(SCc2c(C)[nH]c(=O)[nH]c2=O)o1 1893171 PAGRFORIORMKOP-MUWHJKNJSA-N 325.394 1.093 0 40 EDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 27026770 OZMRQTFRKMUISI-BNDLJXMOSA-N 338.429 1.244 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)c2cnn(C)c2-n2cccc2)C1 48260737 NAXVYWQXWJTSTE-ZDUSSCGKSA-N 339.403 1.359 0 40 EDAB CN(Cc1cc(Cl)cc2c1OCOC2)[C@@H]1CCS(=O)(=O)C1 48214335 IFPWPTAJXZOCLI-CYBMUJFWSA-N 331.821 1.825 0 40 EDAB O=C(CNc1ccccc1CN1CCOCC1)NCC(F)(F)F 58145024 YVOBLKTXZBGMOE-UHFFFAOYSA-N 331.338 1.609 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1nnc(C2CC2)s1 44866096 VLMOIPBJPBMJSF-UHFFFAOYSA-N 327.369 1.764 0 40 EDAB COCCN1CC[C@@H]2OCCC[C@@]2(COCC(=O)N2CCCC2)C1 107712161 WCLWCGWEWIKNPW-WMZOPIPTSA-N 340.464 1.143 0 40 EDAB CCc1noc(CS(=O)(=O)CC(=O)N2c3ccccc3C[C@@H]2C)n1 44938371 LBFCWVZXNVCDNQ-NSHDSACASA-N 349.412 1.525 0 40 EDAB O=C(NCc1cccnc1-n1cccn1)c1cccnc1-n1cncn1 44918788 YKPKEPHKYMPRMH-UHFFFAOYSA-N 346.354 1.173 0 40 EDAB COCCNC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 10304920 LKOPWEHIAKSGNI-GFCCVEGCSA-N 343.427 1.785 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](O)COc1ccc(F)cc1 58412716 ISSVSUPOTDJHCA-CQSZACIVSA-N 336.411 1.463 0 40 EDAB CCN(CC)C(=O)CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2 58861521 WIPWJQNFDAJWRY-UHFFFAOYSA-N 334.416 1.720 0 40 EDAB O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2c2ncccn2)O1 107207877 CUPAGMZLRGVQJE-RBSFLKMASA-N 328.372 1.512 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCSc2ccc(F)cc21 48353534 GXLCDNKZNWWCSF-ZYHUDNBSSA-N 344.433 1.849 0 40 EDAB CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 100634800 BGQRXMCVRTWFOQ-YRBFXIGRSA-N 329.352 1.545 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 107721444 DMOVLNBVWACLCE-ULQDDVLXSA-N 340.383 1.460 0 40 EDAB C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)CN(C)c1ncccn1 36759134 XWWGPFYDOJCDIJ-AWEZNQCLSA-N 342.399 1.676 0 40 EDAB COCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 26974545 YQWNYPRBZJUKOM-UHFFFAOYSA-N 326.418 1.156 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 21634826 SXEHFZOGEUPOQA-GUTXKFCHSA-N 336.457 1.989 0 40 EDAB CC(C)C[C@H]1NC(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)C1=O 3597260 CHXJHXOBSDCGQX-GXTWGEPZSA-N 329.400 1.931 0 40 EDAB C[C@@H](Sc1ccccc1C(=O)O)C(=O)N[C@H]1CCS(=O)(=O)C1 12937231 HEKLFGLRCWOSFL-ZJUUUORDSA-N 343.426 1.169 0 40 EDAB CCC(=O)Nc1cccc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1 72290324 CAQNXFIWHIWCDH-NEPJUHHUSA-N 338.429 1.683 0 40 EDAB Cc1nnnn1-c1ccccc1C(=O)NCCNC(=O)OC(C)(C)C 71285229 UFWKALFVNUHYJX-UHFFFAOYSA-N 346.391 1.225 0 40 EDAB O=C(c1cc(-n2cccn2)ccn1)N1CCN([C@H]2CCSC2)CC1 87487947 JYCRPMFYMIHGBE-HNNXBMFYSA-N 343.456 1.531 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)C3CC3)C2)n1 95369528 SVNDLLHSCFQSCB-ZIAGYGMSSA-N 332.404 1.485 0 40 EDAB COCCN(Cc1ccccn1)S(=O)(=O)N(C)[C@H](C)C1CC1 65591293 CXEGSXWUXQSWAI-CYBMUJFWSA-N 327.450 1.505 0 40 EDAB O=C(CNc1cc(-n2cnnn2)ccc1F)N1CCc2ccccc21 65606804 MVAZRIGLTZZOGG-UHFFFAOYSA-N 338.346 1.803 0 40 EDAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c1 4512391 APLBQPMJUJOVAZ-DTWJZALFSA-N 343.379 1.983 0 40 EDAB O=C(NCCC(=O)N1CCc2ccc(O)cc2C1)OCC(F)(F)F 66045579 SGNOHTNIMGYMHX-UHFFFAOYSA-N 346.305 1.956 0 40 EDAB COC(=O)c1ccoc1CN1CCC[C@H]1C(=O)N1CCSCC1 67117986 GZKCXTFDCJJLHP-ZDUSSCGKSA-N 338.429 1.606 0 40 EDAB CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(F)c(F)c1 4986205 HEZACRNIXQSDAI-NSHDSACASA-N 348.371 1.026 0 40 EDAB NC(=O)[C@@H](CCC(=O)c1ccccc1)S(=O)(=O)c1ccccc1 5946372 RCQKLAFCKIXTOO-MRXNPFEDSA-N 331.393 1.977 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(N)=O)c(F)cc1F 71889042 NNZDPGQDXNYNPN-SSDOTTSWSA-N 343.330 1.915 0 40 EDAB NS(=O)(=O)c1ccc(OCCOC(=O)CCc2ccccc2)cc1 7893901 JPOSDNVBQRBXJX-UHFFFAOYSA-N 349.408 1.889 0 40 EDAB O=C(Cn1cnnn1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 71896229 YISIZYVPGJEGEE-UHFFFAOYSA-N 348.838 1.451 0 40 EDAB CC(C)NC(=O)CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1 69077364 KHQDORMSUHUXKY-UHFFFAOYSA-N 338.839 1.696 0 40 EDAB O=C1CCN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)CCN1 71839457 GFKRDHJFHNXBAI-UHFFFAOYSA-N 336.823 1.300 0 40 EDAB CC(C)N(CCCOc1ccc(S(C)(=O)=O)cc1)CC(N)=O 71842042 HXRRHHPHEUJIMZ-UHFFFAOYSA-N 328.434 1.055 0 40 EDAB O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ccn1-n1cnnc1 40391452 UWHQKOQIOPPYBZ-UHFFFAOYSA-N 348.301 1.148 0 40 EDAB Cc1cc(C(=O)CN2CCC[C@H](CNS(C)(=O)=O)C2)c(C)[nH]1 69417168 WIPWQIONUJEJRB-CYBMUJFWSA-N 327.450 1.075 0 40 EDAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCO[C@H](Cn2cccn2)C1 69451451 UORACEROORUDQU-AEFFLSMTSA-N 342.443 1.804 0 40 EDAB O=C(CNC(=O)c1cc2c(s1)CCCC2)NCCCn1ccnc1 69484083 JRNOGUBUILPTBJ-UHFFFAOYSA-N 346.456 1.760 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)c1cnn(C)c1-n1c(C)ccc1C 69596665 FMRGPTVILAMDJN-UHFFFAOYSA-N 331.420 1.378 0 40 EDAB CCN(CC)S(=O)(=O)CCNS(=O)(=O)/C=C/c1ccccc1 69632245 IFRJMPMEZMBZBV-ZRDIBKRKSA-N 346.474 1.248 0 40 EDAB Cc1ccc(F)c(N2CCC[C@H](NC(=O)c3cnn(C)c3)C2=O)c1 95398153 PIJUXEAKKURXJY-AWEZNQCLSA-N 330.363 1.793 0 40 EDAB CC1CCN(C(=O)[C@@H](C)N2CCO[C@H](CNc3cccnn3)C2)CC1 84697910 RMULOFPKXXZRSQ-HZPDHXFCSA-N 347.463 1.236 0 40 EDAB COCCN(CCO)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 69946506 MNFWDVYLTOMKOM-UHFFFAOYSA-N 335.404 1.395 0 40 EDAB Cc1cc(NC(=O)CN(C)[C@H]2CCCN(c3cccnn3)C2)on1 69924813 YUTWRWPLYMWFQN-ZDUSSCGKSA-N 330.392 1.312 0 40 EDAB Cn1cc([C@H](O)CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)cn1 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CMYJTDYEKAHLCR-NEPJUHHUSA-N 331.338 1.964 0 40 EDAB COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)n(C)c(C)cc1=O 1547205790 GRPJTBWIPRSDQX-LBPRGKRZSA-N 347.367 1.809 0 40 EDAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C(=O)O)cc1 218551740 NBYQJVWOPYSNOZ-YQQAZPJKSA-N 331.393 1.717 0 40 EDAB O=C(NCc1nc(O)c2ccccc2n1)[C@]12C[C@H]1COC21CCC1 1548475109 VGPWVPLNYOQNNG-VOJFVSQTSA-N 325.368 1.911 0 40 EDAB CSc1ccccc1NC(=O)Cn1nc(-n2cccn2)ccc1=O 70655880 HQSFXVSIVQGCDY-UHFFFAOYSA-N 341.396 1.790 0 40 EDAB Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3CC[C@H]4CNC[C@H]43)c2)o1 77485127 QQQIYSJMXCZQCM-LSDHHAIUSA-N 347.440 1.941 0 40 EDAB Cc1ccc(NC(=O)CSCC(=O)N[C@H](C)C(=O)N(C)C)cc1 79050308 BHYLWRMVFOAJMB-GFCCVEGCSA-N 337.445 1.260 0 40 EDAB Cc1cc(Nc2ncccn2)nc([C@@H]2CCCCN2CC(N)=O)n1 72383572 PMVYRTAVZHWKKC-LBPRGKRZSA-N 327.392 1.331 0 40 EDAB COc1ccc([C@@H]2CCN(C(=O)N[C@H](C)CS(C)(=O)=O)C2)cc1 72682720 HGGPWOSFQNXQQW-TZMCWYRMSA-N 340.445 1.627 0 40 EDAB O=C(O)c1nnsc1NC(=O)N1CCN(Cc2ccccc2)CC1 33436137 CCXIWALFRIXAAW-UHFFFAOYSA-N 347.400 1.586 0 40 EDAB Cc1cccc(Nc2cnc([C@@H]3CCCN(CC(N)=O)C3)cn2)n1 72361854 XPCFLSBSTDZQPN-CYBMUJFWSA-N 326.404 1.588 0 40 EDAB CN(C)c1cc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)ccn1 72369434 CIBPTIICQAWPHK-MRXNPFEDSA-N 332.448 1.186 0 40 EDAB Cc1cc(CCC(=O)NCC2(C)COC2)nc(C2CCN(C)CC2)n1 72366861 WVFJKUYBRGJPMC-UHFFFAOYSA-N 346.475 1.680 0 40 EDAB Cc1nc(CCC(N)=O)cc(C2CCN(Cc3cccnc3)CC2)n1 72367073 YFOQTSOCUKYASO-UHFFFAOYSA-N 339.443 1.978 0 40 EDAB CC(C)Oc1ccc(S(=O)(=O)N[C@@]2(CC(=O)O)CCOC2)cc1 572114252 KOUJPINNTZQQQC-OAHLLOKOSA-N 343.401 1.386 0 40 EDAB COc1cccc(CC(=O)N2CCN(C[C@@H](O)c3ccco3)CC2)c1 85436782 DJIDMKDUYLUGDZ-QGZVFWFLSA-N 344.411 1.709 0 40 EDAB CC(=O)Nc1ccc(-c2ccnc3nc(CCC(=O)O)nn23)cc1 47474145 ILZBPAYMRDPDSV-UHFFFAOYSA-N 325.328 1.767 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)C1 223156263 NBIFMBYSYOSERF-VIFPVBQESA-N 346.478 1.943 0 40 EDAB CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCCN(C(=O)C(C)C)CC1 331473959 KLQWJFYNSGRDGX-HUUCEWRRSA-N 325.453 1.701 0 40 EDAB CN(C)CCOC[C@H]1CN(C(=O)C2=CCCCC2)Cc2nnn(C)c21 96198539 UESSVHBUMHBUIQ-OAHLLOKOSA-N 347.463 1.320 0 40 EDAB CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@H]12 96083403 NCCZXILZLMKZQH-FUHWJXTLSA-N 348.468 1.601 0 40 EDAB O=C(Cn1ncn2nccc2c1=O)N[C@H](c1ccccc1)C1CCC1 96405696 AWOXSSJRVCGAMY-QGZVFWFLSA-N 337.383 1.549 0 40 EDAB O=c1ccc2c(n1CCn1cccn1)CC[C@H](NCc1ccco1)C2 96067692 WYBRSXUSEYYMLS-INIZCTEOSA-N 338.411 1.985 0 40 EDAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(C(=O)C2CC2)CC[C@@]1(C)O 514288696 ACFWSICMZJCMLJ-JENIJYKNSA-N 346.427 1.252 0 40 EDAB biogenic,in-vitro COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(Cc1cnn(C)c1)CC2 96205950 KEJJXBPHSSAULD-QGZVFWFLSA-N 346.475 1.517 0 40 EDAB Cc1noc(C)c1C(=O)N1Cc2nnn(C)c2[C@@H](COCC2CC2)C1 96198596 KYHSZUKXZWIRHW-CYBMUJFWSA-N 345.403 1.586 0 40 EDAB O=C(C[C@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@H]21)N1CCCO1 96207220 UYXKHVULZRANKG-BRWVUGGUSA-N 331.416 1.473 0 40 EDAB O=C(NCCN1CCN(c2ncccn2)CC1)c1ccoc1C1CC1 336896103 RQIVHTKPDVBEEO-UHFFFAOYSA-N 341.415 1.499 0 40 EDAB CC(=O)N1C[C@@H]2CN(C(=O)Cc3ccccc3)CCC[C@]2(C(=O)O)C1 96064250 QBIMYQXWVFJZQH-LPHOPBHVSA-N 344.411 1.401 0 40 EDAB c1cnc(N2CCC[C@]3(COCCN(c4nncs4)C3)C2)cn1 96229245 XFYYJJFYONWPHU-HNNXBMFYSA-N 332.433 1.452 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2CCN2CCCC2=O)cc1 583615512 AWFFZPPMFRALHN-IEBWSBKVSA-N 332.444 1.990 0 40 EDAB Cn1cc([C@@H]2CN(S(=O)(=O)N3CCCCC3)CC2(C)C)cn1 583651131 FSGFJEJZGJUFGW-AWEZNQCLSA-N 326.466 1.576 0 40 EDAB CNC(=O)CN1CCC(CN(C)c2noc(-c3ccccc3)n2)CC1 97096506 DZRQBKARCWAHQT-UHFFFAOYSA-N 343.431 1.631 0 40 EDAB COc1cc(N2C[C@H]3[C@H](Cc4nnc(C)o4)COC[C@H]3C2)ncn1 97953566 FVEAOFVXGNDFIV-UPJWGTAASA-N 331.376 1.118 0 40 EDAB CCN1CCC[C@@H](NC(=O)N2CCN([C@@H](C)c3ccccn3)CC2)C1 97378512 QDVJUMYKONDTQH-DLBZAZTESA-N 345.491 1.954 0 40 EDAB Cc1cccc(NC[C@H]2CCN(CCN3C(=O)NC(C)(C)C3=O)C2)n1 97200936 BWESNIGRAAOEBH-CQSZACIVSA-N 345.447 1.454 0 40 EDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1cscn1 96045350 LNAUKDRRZVYPPD-CYBMUJFWSA-N 333.417 1.531 0 40 EDAB COc1ccc(C2=NO[C@](C)(C(=O)NCCCn3ccnc3)C2)cc1 96192813 VKNQYYYMVVNEEY-SFHVURJKSA-N 342.399 1.981 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(Cc2cncs2)C1 257304542 SMCVCLRGENACQV-NSHDSACASA-N 340.474 1.724 0 40 EDAB Cc1cn(C)c([C@@H]2CCCN(C(=O)CN(C)Cc3cccnc3)C2)n1 257224845 FDQQWFAEGWPRLC-QGZVFWFLSA-N 341.459 1.962 0 40 EDAB COC(=O)[C@@H]1CCc2nnc(C3CCN(c4ncccn4)CC3)n2C1 601044827 ROSIMAKAOGJGNP-CYBMUJFWSA-N 342.403 1.188 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@H]1O)c1c[nH]cn1 257341235 ZJLHOAXDFGXOLP-ZIAGYGMSSA-N 338.770 1.177 0 40 EDAB Cc1ccnc([C@H]2CN(Cc3cccc(OCCO)c3)CCO2)n1 257328970 XHVHEQWTKYZFTH-QGZVFWFLSA-N 329.400 1.730 0 40 EDAB Cn1cncc1-c1cncc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1 257277292 NXGCIYQZYVDOON-ZDUSSCGKSA-N 349.398 1.687 0 40 EDAB CC(C)C(=O)N[C@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)CC[C@@H]1O 257332811 XYTHHKMBQJOARF-HOCLYGCPSA-N 344.415 1.301 0 40 EDAB COc1cccc(CC(=O)N2CCO[C@H](c3cc(O)nc(C)n3)C2)c1 257327691 XCHGUZGVWRXFDD-INIZCTEOSA-N 343.383 1.642 0 40 EDAB CCOc1cc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nc(C)n1 596158410 XIDSUTSSXZDUFN-INIZCTEOSA-N 333.480 1.788 0 40 EDAB N[C@@H]1CN(C(=O)c2cc(O)ncc2Br)CC12CCC2 1615551263 AOCPMSKMQHJNKH-SNVBAGLBSA-N 326.194 1.503 0 40 EDAB CN(C)C[C@]1(O)CCCN(C(=O)c2ccnc(C3CCCC3)n2)C1 1615558103 HQAZXEMDVOOFHV-GOSISDBHSA-N 332.448 1.663 0 40 EDAB CC(C)CS(=O)(=O)C1CN(C(=O)c2cnn(-c3ccccc3)n2)C1 96380058 FOEPANKQHUUVPB-UHFFFAOYSA-N 348.428 1.163 0 40 EDAB O=C(Cn1ccc2ccccc21)NCc1cn(-c2ccncc2)nn1 390830089 IPUDROATXKIPOU-UHFFFAOYSA-N 332.367 1.933 0 40 EDAB Cc1nc(C(=O)NC[C@@H]2CO[C@@H]3CN(C(=O)[C@@H]4C[C@@H]4C)C[C@@H]32)cs1 575403280 GUNVWLICNQNMSO-QUQNROOTSA-N 349.456 1.311 0 40 EDAB CO[C@]1(COc2cccc(F)c2)CCN(C(=O)Cn2ccnc2)C1 585277246 NQIMYXUQBQGEPH-QGZVFWFLSA-N 333.363 1.719 0 40 EDAB Cn1cc(CCC(=O)N2CC[C@@](O)(COc3ccccc3)C2)cn1 585271001 DPGXIYSSSLQKJC-SFHVURJKSA-N 329.400 1.395 0 40 EDAB Cn1cc(N2CC[C@@]3(CCCN(C(=O)C4CC(F)C4)C3)C2=O)cn1 585100909 DZTQCANMZNJQRN-QWQCLYJRSA-N 334.395 1.514 0 40 EDAB CN(C)C(=O)C[C@@]1(O)COCCN(Cc2ccc3ccccc3n2)C1 585280515 JULIEFBZMYPUQG-IBGZPJMESA-N 343.427 1.276 0 40 EDAB Cc1c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)oc2ccccc12 36386337 BHUWVXVDUVNMNE-UHFFFAOYSA-N 341.411 1.778 0 40 EDAB O=C(CNC(=O)Cc1cccc(F)c1)NC[C@H]1Cc2ccccc2O1 52615959 JVOCNCPIPDXZFY-MRXNPFEDSA-N 342.370 1.604 0 40 EDAB C[C@@H](C(F)(F)F)S(=O)(=O)N(C)[C@H](C(N)=O)c1cccc(F)c1 95939941 KHMHCNQLFGGDQY-XVKPBYJWSA-N 342.314 1.565 0 40 EDAB O=C(CNC(=O)OCC(F)(F)F)NN1CCc2ccccc2C1=O 96004259 AOKHNJZGKLFDLB-UHFFFAOYSA-N 345.277 1.005 0 40 EDAB O=C(Cn1cccn1)N1CCN(c2ncnc3ccsc23)CC1 96423044 BRIXZPNHIZXHKN-UHFFFAOYSA-N 328.401 1.237 0 40 EDAB O=S(=O)(NCCc1nccn1Cc1ccccc1)N1CCCCC1 96839877 KWZOFODGKMNALL-UHFFFAOYSA-N 348.472 1.794 0 40 EDAB COc1cc(NC(=O)N2CCC[C@H]2C(N)=O)c(OC)cc1Cl 89420798 YRZSIKMSXBFSGW-JTQLQIEISA-N 327.768 1.839 0 40 EDAB O=C(c1ccccc1-n1cnnn1)N1CCC[C@H](N2CCCCC2)C1 89809665 WSYNHJDSMFDFAP-HNNXBMFYSA-N 340.431 1.753 0 40 EDAB C[C@H](O)CNC(=O)c1cccc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)c1 106802399 RPSQWSRBCIYRLC-GRDNDAEWSA-N 348.443 1.871 0 40 EDAB O=C(Cc1ccccc1O)NCC1CCN(C(=O)C(F)(F)F)CC1 96449116 UEXFKGHRHXLDAI-UHFFFAOYSA-N 344.333 1.852 0 40 EDAB COc1cc([C@@H](C)NC(=O)c2ocnc2C)ccc1S(C)(=O)=O 1615616334 YICHFGQMNIATCO-SECBINFHSA-N 338.385 1.886 0 40 EDAB Cc1cc(O)n2nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)cc2n1 12161033 LZYCXHCCRGGHIB-KGLIPLIRSA-N 330.388 1.976 0 40 EDAB Cc1cccc(C(=O)N2CCN(c3ncnc4c3nnn4C)CC2)c1 13532436 RWXKWORHRRQXQF-UHFFFAOYSA-N 337.387 1.029 0 40 EDAB COC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580481 NJEFXWXMWHYUKJ-NSHDSACASA-N 326.418 1.164 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)[C@@H]2CCCN2C1=O)c1ccc(Cl)cc1 14372138 RSWWEJNNPGXVLZ-MFKMUULPSA-N 335.791 1.944 0 40 EDAB COC(=O)COc1ccc(Br)c(CN2CCOCC2)c1 16844845 JIWGWVLAKURVJO-UHFFFAOYSA-N 344.205 1.833 0 40 EDAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N(C)CCN(C)C)n1 19457408 INVOWODKCOBSOR-NSHDSACASA-N 338.843 1.421 0 40 EDAB CCN1C(=O)[C@@H]2[C@@H](c3ccccc3F)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526744 UMDOTPGLDWJGAM-APNQJHFZSA-N 334.347 1.023 0 40 EDAB COc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)cc(OC)c1OC 19575856 DZDZQFGBRSXCJD-AEGPPILISA-N 336.432 1.352 0 40 EDAB CC(C)OCC(=O)N1CCC[C@@H](c2ccc(C(=O)N(C)C)cn2)C1 19706052 YMTCVCYPBLOIDI-OAHLLOKOSA-N 333.432 1.914 0 40 EDAB Cc1ncc(C(=O)N2CCO[C@H](C(=O)Nc3ccccc3)C2)c(C)n1 19747636 NNXABVZXVVQLDT-INIZCTEOSA-N 340.383 1.573 0 40 EDAB Cc1nnsc1C(=O)N1CCC[C@H](Oc2nccnc2N(C)C)C1 225504042 AJUCUSKSLZAIFI-NSHDSACASA-N 348.432 1.386 0 40 EDAB CO[C@H]1[C@H](CNC(=O)CCn2ccnc2C(C)C)COC[C@H]1OC 643585714 ZVFRDAXKXKDWMF-FMKPAKJESA-N 339.436 1.189 0 40 EDAB CC(C)c1nc(C2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)no1 552608849 FVZGWQVCLJOERJ-CYBMUJFWSA-N 346.431 1.910 0 40 EDAB Cc1ncc(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)[nH]1 584366500 ZTFFYIBWFFBZFH-CJNGLKHVSA-N 325.372 1.348 0 40 EDAB C[C@H]1CCCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CC1 585121811 AVRLENDIIWJOTO-GOEBONIOSA-N 334.416 1.922 0 40 EDAB Cc1nc(C2CC2)nc(N2CCN(CCn3ccnn3)CC2)c1C 1888843488 CLFSIGRSUHTORF-UHFFFAOYSA-N 327.436 1.385 0 40 EDAB Cn1cc(C(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)cn1 1888853741 BCUKEIPCXSUOHM-LBPRGKRZSA-N 327.388 1.629 0 40 EDAB Cc1nc(N2CCC[C@H](C(=O)N3CCOCC3)C2)c2ccncc2n1 1888859231 BNKSYJFHQRPQIV-AWEZNQCLSA-N 341.415 1.408 0 40 EDAB COC(=O)CCn1ccn2nc(-c3cccc(OC)c3)cc2c1=O 1888982173 YCKAHJCEMUOLQK-UHFFFAOYSA-N 327.340 1.735 0 40 EDAB O=C([C@@H]1CN(c2ccc(C(F)(F)F)cn2)CCO1)N1CCOCC1 1889096216 HKYJWMAZWVWIKZ-LBPRGKRZSA-N 345.321 1.164 0 40 EDAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)CN(C)C1=O 6617666 ATMJKZNYCIXKCT-UHFFFAOYSA-N 340.177 1.590 0 40 EDAB O=C(c1ccccn1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037840222 JJZIBGDCFQPKCU-LJQANCHMSA-N 337.379 1.730 0 40 EDAB COc1cnc(C(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@@H]3C2)nc1 1565546027 RBAYUIVBGAJJNJ-UKRRQHHQSA-N 334.420 1.057 0 40 EDAB COc1ccc(CCC(=O)NCc2nnnn2-c2ccccc2)cc1 10593170 ORMNLBXZCPIYMS-UHFFFAOYSA-N 337.383 1.920 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2cccc(OC)c2)C1 2055771761 VNBUEVNTBZORIB-SFHVURJKSA-N 342.399 1.269 0 40 EDAB CS(=O)(=O)NCc1noc2c1C[C@@H](NCc1cccs1)CC2 2055730045 VGVKFVWHBLWQJE-JTQLQIEISA-N 341.458 1.432 0 40 EDAB Cc1nn(CCNS(=O)(=O)c2cn(C)cn2)c(C)c1-c1ccco1 575614745 DZZFNZNSBZILJP-UHFFFAOYSA-N 349.416 1.472 0 40 EDAB Cn1cc(-c2nccnc2CNS(=O)(=O)c2cccs2)cn1 575620775 UYKBCJHIWDWPPZ-UHFFFAOYSA-N 335.414 1.417 0 40 EDAB O=C1CN(C2CCN(c3nncs3)CC2)C(=O)N1c1ccccc1 2298049377 ILGQHHPLAGYQBP-UHFFFAOYSA-N 343.412 1.976 0 40 EDAB Cc1nc(NCCNS(=O)(=O)c2cccs2)cc(N(C)C)n1 44213713 GJOCMEQJJBZTPV-UHFFFAOYSA-N 341.462 1.303 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1 96025936 FOXRTESRTASGOB-NSHDSACASA-N 349.334 1.451 0 40 EDAB Cc1nccn1-c1ccc([C@@H](C)NC(=O)N[C@@H]2CCN(C)C2=O)cc1 96461464 DKESCNSSRREVHR-MLGOLLRUSA-N 341.415 1.772 0 40 EDAB O=C1COc2ccc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@H]3C4)cc2N1 103545298 VWYBMNCJNPYZKN-SRVKXCTJSA-N 336.413 1.732 0 40 EDAB O=C(NCc1cccc(F)c1)C1=NN(c2ccccc2)C(=O)CN1 40091039 TWMMSPFZNQBOPJ-UHFFFAOYSA-N 326.331 1.392 0 40 EDAB C[C@H]1CN(S(=O)(=O)N(C)CCCOc2ccccc2)C[C@H](C)O1 40091330 MPJYHPVISQMHFQ-GJZGRUSLSA-N 342.461 1.741 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)CN2CCCC2=O)Oc2ccccc21 40467653 ZMRNTHAJGCRHJH-CQSZACIVSA-N 331.416 1.355 0 40 EDAB C[C@H](C1CC1)N(CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CC1 31654114 VVSBCXAJBOPXNW-LLVKDONJSA-N 337.445 1.535 0 40 EDAB CSc1nc(SCC(N)=O)c2c3c(sc2n1)CN(C)CC3 20461077 LEHILYXPEHRELT-UHFFFAOYSA-N 340.499 1.979 0 40 EDAB Cc1csc(=O)n1CCC(=O)NCc1ccc2c(c1)OCCO2 20929882 HZGBNAUSUCPXDZ-UHFFFAOYSA-N 334.397 1.696 0 40 EDAB CNC(=O)c1ccc(CN(c2ncnc3c2cnn3C)C2CC2)cc1 32779234 HXAZULTYNNPYPG-UHFFFAOYSA-N 336.399 1.892 0 40 EDAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCOCC1 531049 FRRWFMKLNVJHMR-UHFFFAOYSA-N 331.376 1.292 0 40 EDAB CN(CCO)C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 537666 ZRIBREJXXSPQKT-UHFFFAOYSA-N 337.379 1.665 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccc(OC(C)=O)cc2)S1 280998 IYNMLUAXIBSRAF-HNNXBMFYSA-N 335.385 1.787 0 40 EDAB O=C(Cn1nnc(-c2cccs2)n1)NCc1ccc2c(c1)OCO2 415068 OPTXOCRVPFJAMX-UHFFFAOYSA-N 343.368 1.447 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H]1N1CCOCC1 84735753 WBZYXPYDQUJPML-DJIMGWMZSA-N 330.428 1.732 0 40 EDAB CCn1c(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)nc2ccccc21 78837868 APMLBGRKQBOOHJ-LBPRGKRZSA-N 341.415 1.619 0 40 EDAB CCOC(=O)CCc1cn2cc(Br)nc(OC)c2n1 1644181 IQTQXVQURGVYSX-UHFFFAOYSA-N 328.166 1.996 0 40 EDAB Nc1ccc(S(=O)(=O)Nc2ncc(Br)cn2)cc1 1706316 MMXGTRPEKVDKHM-UHFFFAOYSA-N 329.179 1.622 0 40 EDAB C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCOCC(N)=O 79110234 OPEDWBYNOGRZFB-QMMMGPOBSA-N 335.187 1.379 0 40 EDAB CC[C@H]1C(=O)NCCN1C(=O)Cc1cccc(Br)c1 104135663 DRQRESLTGLSSPK-LBPRGKRZSA-N 325.206 1.729 0 40 EDAB CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(F)cc1 802543 HGVYDCQVWKUHRJ-UHFFFAOYSA-N 326.349 1.356 0 40 EDAB COc1cc([C@H]2[C@H]3[C@H](C)NC(=O)N(C)[C@H]3NC(=O)N2C)ccc1O 4597877 MARUVGFEWOBMAJ-ZLCVWYCYSA-N 334.376 1.083 0 40 EDAB Cn1c(-c2ccccc2)cnc1NC(=O)COCC(=O)NC(C)(C)C 6298405 WAPQMPYFVKYGPQ-UHFFFAOYSA-N 344.415 1.957 0 40 EDAB O=C(Cc1ccccc1F)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 47635550 BAIGYIQHNRISLK-RDJZCZTQSA-N 336.407 1.222 0 40 EDAB O=C(Cc1cccc(F)c1)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 47635205 UDYFCWQUQLIBME-NVXWUHKLSA-N 336.407 1.222 0 40 EDAB Cc1ccc(C(=O)CCC(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 8930087 YDDUWJDUMYOTLE-HNNXBMFYSA-N 333.384 1.796 0 40 EDAB Cc1csc(=O)n1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 24972875 ICPVQSLBLFUMCJ-JTQLQIEISA-N 347.396 1.966 0 40 EDAB CN(C)/C=C1\C(=O)N(c2ccc(Br)cc2)CS1(=O)=O 1391028 CDSLZLKIARJTNZ-YRNVUSSQSA-N 345.218 1.571 0 40 EDAB O=C(Nc1ccccc1-n1cncn1)[C@H]1CCCN(c2ncccn2)C1 25005997 PIDKQFTUSDFSEN-AWEZNQCLSA-N 349.398 1.912 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C[C@@H]1N1CCOCC1 107057426 SJALWSBMRQJELL-KMFMINBZSA-N 343.427 1.292 0 40 EDAB Cn1nc(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)ccc1=O 55943507 YGOWOMHQUSMGFG-GDBMZVCRSA-N 331.347 1.570 0 40 EDAB COC(=O)CNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 44011887 SVFRHNYPLPOPNB-UHFFFAOYSA-N 342.330 1.705 0 40 EDAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O 57426613 KZXIJSUXIPQHQQ-UHFFFAOYSA-N 349.456 1.893 0 40 EDAB O=C(CN1CCC(=O)NC1=O)NCc1cccc(OC2CCCC2)c1 95395254 KFNDSXZYIQHLNX-UHFFFAOYSA-N 345.399 1.566 0 40 EDAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCCC(=O)O)cc2oc1=O 2094427 RBXKLBIDWLOQPT-NSHDSACASA-N 333.340 1.768 0 40 EDAB biogenic O=c1c2ccsc2ncn1C[C@@H](O)CN1CCc2ccccc2C1 58137672 UQLJSRCGOTZLLA-HNNXBMFYSA-N 341.436 1.877 0 40 EDAB NC(=O)[C@@H](CNC(=O)CCc1ccncc1)Cc1ccc(F)cc1 71841531 RCMNUFNRLGHLNH-OAHLLOKOSA-N 329.375 1.614 0 40 EDAB CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)N[C@H]1CC 58121259 RYGIGNZMAPNKKD-AWEZNQCLSA-N 331.416 1.993 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCNC(=O)c2cccnc2)cc1 12650539 JDNNVGOZTRRBRS-UHFFFAOYSA-N 333.413 1.488 0 40 EDAB CCN(CCN1C(=O)NC(C)(C)C1=O)C[C@H]1COc2ccccc2O1 71801934 LMMNTNQSGBSARM-ZDUSSCGKSA-N 347.415 1.479 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 44873645 KSOQAAIEGKUZCU-OAHLLOKOSA-N 347.440 1.465 0 40 EDAB COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 58268646 WAAOSEDFCBSHSK-UWVGGRQHSA-N 347.820 1.925 0 40 EDAB CN(C)C1(CNC(=O)c2cccnc2N2CCOCC2)CCCC1 48217530 WZUGESHULKUOPQ-UHFFFAOYSA-N 332.448 1.522 0 40 EDAB Cn1ccnc1[C@H](NC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1 44967191 FJTDHQCJOAXAAY-HUUCEWRRSA-N 341.415 1.477 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NCCOc2ccc3c(c2)OCO3)C1 48262244 USZOEANAGKXSGM-ZDUSSCGKSA-N 349.387 1.104 0 40 EDAB CC(=O)N1CCCN([C@H]2CN(CC3(O)CCCCC3)C[C@H]2C)CC1 84714413 MSDILCHUZXSWBY-AEFFLSMTSA-N 337.508 1.556 0 40 EDAB CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1 2137087 PCXXAMYWMMRVLR-UHFFFAOYSA-N 329.447 1.406 0 40 EDAB O=S(=O)(Nc1cn[nH]c1)c1cccc(I)c1 95433051 PLNNYHSCAAXIQN-UHFFFAOYSA-N 349.153 1.815 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 58305014 KVMGVXLKIYPRJT-CYBMUJFWSA-N 327.402 1.711 0 40 EDAB O=C(CCNc1ncccn1)NC[C@@H]1CCN(CC(F)(F)F)C1 58392458 NBMFORQYCRHEHM-NSHDSACASA-N 331.342 1.279 0 40 EDAB COc1c(C)cnc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c1C 71893605 SIZQNAUMWRPQEV-AWEZNQCLSA-N 341.477 1.468 0 40 EDAB CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 3342993 RKFJASMSKZPENO-UHFFFAOYSA-N 347.440 1.129 0 40 EDAB Cc1cc(C)n(CCCNC(=O)c2ccccc2S(C)(=O)=O)n1 48345142 KPFDTVOGPSTQIJ-UHFFFAOYSA-N 335.429 1.724 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(Cl)cc1 2629981 NLCATMQHUIJVOC-UHFFFAOYSA-N 335.791 1.821 0 40 EDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(F)cc1)C2=O 2633969 WDCCJWROYINGIB-UHFFFAOYSA-N 347.390 1.943 0 40 EDAB O=C(O)CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1Cl 2683954 AUXRZMIVAGQQOC-UHFFFAOYSA-N 349.792 1.962 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 2636151 KDLBGHNFDZCLTK-LLVKDONJSA-N 325.365 1.438 0 40 EDAB O=C(CN1CCN(C(=O)c2cccnc2)CC1)Nc1cccc(F)c1 12893657 AICADDGPKCLOHB-UHFFFAOYSA-N 342.374 1.617 0 40 EDAB C[C@H](Sc1nc(Cc2cccs2)n[nH]1)C(=O)N1CCNC1=O 13001736 LPDJRQXIFTZPLV-QMMMGPOBSA-N 337.430 1.489 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cc[nH]n1 71053245 HEVPPXLCJQPZBB-GFCCVEGCSA-N 338.289 1.964 0 40 EDAB COC(=O)CCC(=O)NCCOc1ccc(Br)cc1 49429427 RBEHYKPZQCGFKU-UHFFFAOYSA-N 330.178 1.897 0 40 EDAB O=S(=O)(NCCN1CCC[C@H](c2cc[nH]n2)C1)c1ccccc1 64629854 PRBIHZZUUGNZLC-AWEZNQCLSA-N 334.445 1.568 0 40 EDAB COC(=O)c1ccc(CNC(=O)[C@H]2COc3ccccc3O2)cc1 9050617 WGGVIVYYKBOVHS-MRXNPFEDSA-N 327.336 1.929 0 40 EDAB CCOC(=O)C1CCN(C(=O)N[C@@H](CC(C)C)C(=O)OC)CC1 5268609 MSCNVNIGWOYQSV-ZDUSSCGKSA-N 328.409 1.559 0 40 EDAB COC(=O)c1cc(C(=O)NCc2ccccn2)n(-c2ccccc2)n1 65497602 DFVBTGWVEAGPPM-UHFFFAOYSA-N 336.351 1.984 0 40 EDAB Cc1ccccc1-c1noc(CN2C(=O)C(=O)N(C(C)C)C2=O)n1 14014350 YGNGJWZQKDTZGY-UHFFFAOYSA-N 328.328 1.744 0 40 EDAB O=C(CNC(=O)C1CC1)N[C@@H](Cc1ccccc1)CN1CCCCC1 65537131 XMDBGPCVCAZGDO-SFHVURJKSA-N 343.471 1.726 0 40 EDAB CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1F 65531502 CKNOPSCAHCMLSP-LBPRGKRZSA-N 346.449 1.756 0 40 EDAB C[C@H](OC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CC1 5309239 FUARKYDCAIMWQY-JTQLQIEISA-N 343.376 1.200 0 40 EDAB Cc1nc([C@@H](C)NC(=O)NCc2cccnc2-n2cncn2)cs1 71886639 XVWDKVIGLQIDCD-SNVBAGLBSA-N 343.416 1.988 0 40 EDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1 14164393 CKNBYSAZMSYBLP-GFCCVEGCSA-N 343.408 1.430 0 40 EDAB Cn1cc(C(=O)NC2CCN(C(=O)Cc3ccccc3O)CC2)cn1 71853360 NOPVCDQGUINOJK-UHFFFAOYSA-N 342.399 1.089 0 40 EDAB COc1ccc(-c2n[nH]c(SCC(=O)N3CCC3)n2)c(OC)c1 66006000 DQVMPNMUAYSKHI-UHFFFAOYSA-N 334.401 1.813 0 40 EDAB CNC(=O)C1CCC(NC(=O)NCCc2ccc(N(C)C)cc2)CC1 71854245 NVEMQKRJANPBGN-UHFFFAOYSA-N 346.475 1.899 0 40 EDAB COC(=O)c1c(NC(=O)NCCO)sc2c1CC(C)(C)OC2 6662126 BOWYYNIXKHMVFZ-UHFFFAOYSA-N 328.390 1.500 0 40 EDAB COc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)c1 6679480 YJZOVCTYPAQQPD-UHFFFAOYSA-N 345.380 1.409 0 40 EDAB COc1cc(Br)ccc1CCCn1ncn(C)c1=O 96009626 YMQRCLZFWRWIFQ-UHFFFAOYSA-N 326.194 1.986 0 40 EDAB C/C(=C\C(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 96180115 CUGLMLOZTWCFGY-VAWYXSNFSA-N 340.420 1.769 0 40 EDAB CCN1C(=S)N(c2ccc(F)cc2F)[C@H]2CS(=O)(=O)C[C@H]21 9420650 AXANPUGMFMSGEH-NEPJUHHUSA-N 332.397 1.557 0 40 EDAB Cc1cccc(C(=O)NCC(=O)OCC(=O)N2CCCC[C@@H]2C)c1 8233358 ANFLXWKJTHTQCH-AWEZNQCLSA-N 332.400 1.669 0 40 EDAB Cc1cccc(N(CCC(N)=O)CC(=O)NC(=O)NC(C)(C)C)c1 69351844 LNOXVURHIZVNRE-UHFFFAOYSA-N 334.420 1.301 0 40 EDAB CCc1cc(N2CCC[C@@H]2C(=O)N2CCSCC2)n2ncnc2n1 69325504 ZLOBSZFZACOCGG-CYBMUJFWSA-N 346.460 1.231 0 40 EDAB COc1cccc([C@]2(C)NC(=O)N([C@@H](C)C(=O)NC3CC3)C2=O)c1 8326877 QBUHBYALKCWECQ-BTDLBPIBSA-N 331.372 1.129 0 40 EDAB CN(C)C[C@H]1CCCCN1C(=O)C1CCN(c2ncccn2)CC1 69439213 AVXKWICKFBVBPR-MRXNPFEDSA-N 331.464 1.636 0 40 EDAB Cc1cccn2cc(CC(=O)Nc3cccc(-n4cnnn4)c3)nc12 69464693 RKBUFOQRPHYAPB-UHFFFAOYSA-N 333.355 1.800 0 40 EDAB C[C@H](Sc1nc(Cc2cccs2)n[nH]1)C(=O)N1CCOCC1 69527693 PWJQYENHHJONON-JTQLQIEISA-N 338.458 1.796 0 40 EDAB CCN(CC)S(=O)(=O)CCNC(=O)c1nccc2ccccc12 69699376 CGBGKBZUWBPQQX-UHFFFAOYSA-N 335.429 1.636 0 40 EDAB CCCCC[C@H](C)NC(=O)CS(=O)(=O)CCCCC(=O)N(C)C 69869673 RQRUWLINSHBTJX-AWEZNQCLSA-N 348.509 1.745 0 40 EDAB C[C@@](O)(C(=O)OCc1cc(=O)n2ccsc2n1)c1cccc(F)c1 69967037 ZVLLBSBCNMYZHM-INIZCTEOSA-N 348.355 1.846 0 40 EDAB COc1cccc(S(=O)(=O)CCN[C@H](C)[C@H](C)n2cccn2)c1 69952291 LZVKHYDELRRBQA-KGLIPLIRSA-N 337.445 1.905 0 40 EDAB CCc1cnc(CN2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)o1 83827852 NIIVZTSZFPWGAE-AWEZNQCLSA-N 344.463 1.949 0 40 EDAB CCC(=O)Nc1cccc(C(=O)N(C)[C@H](C)CS(=O)(=O)CC)c1 71903688 KXQQLICJOYALBT-GFCCVEGCSA-N 340.445 1.930 0 40 EDAB Cc1c(C(=O)N2CCN3C(=O)NC[C@@H]3C2)cccc1-c1ccccn1 95438352 TUYWEHKWUKSJLG-CQSZACIVSA-N 336.395 1.907 0 40 EDAB Cn1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1 95418636 VVKQDLCOVQOIRU-ZWKOTPCHSA-N 325.412 1.751 0 40 EDAB O=S(=O)(c1c[nH]cn1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 95433025 BODABYPBRYHSFY-HNNXBMFYSA-N 339.392 1.683 0 40 EDAB Cc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)nn1C 95424105 GGCURQLRSUZRPB-UHFFFAOYSA-N 327.384 1.987 0 40 EDAB Cc1ccc(CC(=O)N2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)cn1 84191221 XNINYVBPAMOUQP-AWEZNQCLSA-N 329.404 1.774 0 40 EDAB CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(F)cn3)cc2)CC1 97085629 BBZFCKALSZBQBR-UHFFFAOYSA-N 342.374 1.861 0 40 EDAB Cc1nc(CN2CCN(c3ncnc4sc(C)cc34)CC2)n[nH]1 97081332 CXMRLJLOHDYSBH-UHFFFAOYSA-N 329.433 1.748 0 40 EDAB NC(=O)N1CC[C@H](NC(=O)CCc2cccc(C(F)(F)F)c2)C1 97161925 FLJHUIJMTOOCDW-LBPRGKRZSA-N 329.322 1.907 0 40 EDAB COc1ncnc2c1CN(C[C@@H](O)COc1ccc(C)cc1)CC2 97202043 XXPUUUGFJSYTOZ-CQSZACIVSA-N 329.400 1.592 0 40 EDAB CN1CCN(C[C@H](CC(=O)Nc2ccc3cc[nH]c3c2)C(=O)O)CC1 72402784 KVGCGRGHVUUYBC-AWEZNQCLSA-N 344.415 1.445 0 40 EDAB NC(=O)N1CCCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 98012741 NUQZZEVEVWLLPZ-CQSZACIVSA-N 336.823 1.532 0 40 EDAB CCCC(=O)NCc1cccnc1N1CCN(C(=O)CCC)CC1 75136994 USXUSJGVYWVVEN-UHFFFAOYSA-N 332.448 1.947 0 40 EDAB COCCCOc1ccccc1NC(=O)N1CCN2C(=O)NC[C@@H]2C1 75107863 SPZHSHVXGAPTHB-CYBMUJFWSA-N 348.403 1.343 0 40 EDAB NC(=O)CN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)C1CCCC1 75122099 CNISEPRNUPPDKS-UHFFFAOYSA-N 339.395 1.912 0 40 EDAB CN(C)[C@H](CNC(=O)NCC(C)(C)N1CCOCC1)c1ccco1 89761768 SBVDEJSMGUDHGJ-CQSZACIVSA-N 338.452 1.292 0 40 EDAB Cc1cc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)n(C)n1 89962596 VYEUDZQWMJJRLJ-JKSUJKDBSA-N 328.416 1.094 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306144978 ZTVJOUITVSUUQR-OAHLLOKOSA-N 340.383 1.320 0 40 EDAB CC(C)c1nc2c(s1)CNCC21CCN(S(C)(=O)=O)CC1 306140435 UTPXDZPCRAJLRV-UHFFFAOYSA-N 329.491 1.663 0 40 EDAB Cn1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)cn1 32604106 KQFCUTOAVJBHIB-UHFFFAOYSA-N 328.401 1.946 0 40 EDAB CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 30320985 VVXDQMDHRKNKDE-UHFFFAOYSA-N 334.825 1.495 0 40 EDAB CCCn1nccc1C(=O)N1CCC(n2cc(C(=O)O)cn2)CC1 518398620 XRZQXRBYWBDAQX-UHFFFAOYSA-N 331.376 1.665 0 40 EDAB O=C(NCc1nnc2ccccn12)C1=NN(c2ccccc2)C(=O)CC1 32524096 MPVUGDVCEASRFU-UHFFFAOYSA-N 348.366 1.529 0 40 EDAB COCCN(CC(F)F)C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C 78441154 SZJPBTAPOVROJC-VXGBXAGGSA-N 335.395 1.699 0 40 EDAB CC(C)OC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1 32075053 PCONHHGKOYQXDZ-UHFFFAOYSA-N 329.312 1.992 0 40 EDAB CNC[C@H]1CCCN1C(=O)CCc1c(C)nc2cc(O)nn2c1C 564944066 IHKLJEQIIDYPCK-CYBMUJFWSA-N 331.420 1.195 0 40 EDAB CCCCC[C@H](O)/C=C\[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1C/C=C/CC(=O)O 33363626 RJHNVFKNIJQTQF-RYXBZATGSA-N 342.432 1.989 0 40 EDAB CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 30328956 QYGJFICXEDBDAF-UHFFFAOYSA-N 346.836 1.495 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCCO 217428307 GPBUOUFJDOQJJJ-SNVBAGLBSA-N 330.406 1.256 0 40 EDAB CN(C)CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 71834844 KOQNVMKCBRYEKR-UHFFFAOYSA-N 337.729 1.975 0 40 EDAB COc1c(F)cc(C(=O)O)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 567468399 NQIPTMMUARTFEU-DTORHVGOSA-N 347.364 1.330 0 40 EDAB CC1(C)CN(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)[C@@H]2CCC[C@@H]21 527574018 PTIXMJPRFHGKHS-FQKPHLNHSA-N 347.463 1.879 0 40 EDAB CC(C)n1cc(N2C[C@@H](C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cn1 226661865 HDQGYKFFHDGWOJ-MJBXVCDLSA-N 334.420 1.453 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Cl)cc2)CC1 226749910 NDOUWWOYZRLPEB-HNNXBMFYSA-N 335.835 1.605 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(Br)c(F)c1 177715687 MTQSGKMXXUVTPL-SKDRFNHKSA-N 332.169 1.696 0 40 EDAB CCN1CCCC[C@H]1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 81463250 KGANKKJUZUPAHJ-ZDUSSCGKSA-N 349.397 1.778 0 40 EDAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@](C)(O)CN1CCOCC1 195533931 DUDGJJZDPGTZSE-YQVWRLOYSA-N 332.444 1.298 0 40 EDAB CCS(=O)(=O)C1CCN(C(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)CC1 225549793 HHNYKCXJGAUVIE-IMIFBBOLSA-N 326.462 1.640 0 40 EDAB O=C(O)C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)c1ccc(F)cc1 581439667 CXQPLEJMRMDSAE-NWDGAFQWSA-N 329.349 1.035 0 40 EDAB Cc1c(Br)ccc(NCC(=O)N2CCNC(=O)C2)c1F 193310496 RNKGDPNEYVREAR-UHFFFAOYSA-N 344.184 1.267 0 40 EDAB Cc1occc1C(=O)N1CCOC[C@]2(CC[C@@H](Cn3cncn3)O2)C1 96160509 IGBZJYJESPTDMK-YOEHRIQHSA-N 346.387 1.270 0 40 EDAB CCOc1ncnc2c1CN(C[C@@H](O)COCc1cccs1)CC2 97200477 RABWDGFFSNODBP-CYBMUJFWSA-N 349.456 1.873 0 40 EDAB O=C(N1CCCC1)N1CCOC[C@@]2(C[C@@H](CN3CCCC3)CO2)C1 96052051 XFPOZRIMDGRQFK-FUHWJXTLSA-N 337.464 1.406 0 40 EDAB c1ncc(N2CCOC[C@]3(CCCN(C[C@@H]4CCOC4)C3)C2)cn1 96076567 BMMGXVROIKTCOL-WMZOPIPTSA-N 332.448 1.432 0 40 EDAB Cn1cc(CN2CCOC[C@H]2c2nccc(NCC3CC3)n2)cn1 96218759 XIGSPDXGJFJRRV-HNNXBMFYSA-N 328.420 1.606 0 40 EDAB CC(=O)NCCCn1nc(Br)nc1Br 96450978 FTCNASLUMJPAIJ-UHFFFAOYSA-N 325.992 1.329 0 40 EDAB O=C(N[C@@H]1CCO[C@]2(CCN(c3ncccn3)C2)C1)c1cccnc1 96207422 IGHURNYJQJYRGL-CRAIPNDOSA-N 339.399 1.430 0 40 EDAB C[C@@H](NCCC(=O)N1CCN(C)CC1)[C@@H]1CCCN(C2CCC2)C1 330032850 SINMNEQHHJZXAA-IAGOWNOFSA-N 336.524 1.393 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(COCCN(Cc3cccnc3)C2)C1 96202073 JCSHTVOMUKFDLO-LJQANCHMSA-N 341.459 1.540 0 40 EDAB CCCS(=O)(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccccn1 96041833 HKUBHDMGXVYSEZ-ARFHVFGLSA-N 340.445 1.570 0 40 EDAB COc1cc(NCc2cc(=O)n3c(n2)CN(C(C)C)CCC3)ncn1 96197680 ZXGPJVDTBBDOTB-UHFFFAOYSA-N 344.419 1.268 0 40 EDAB CC(C)(C)OC(=O)N[C@H](CCCNC(N)=S)C(=O)OC(C)(C)C 98091614 BZCHKHCGOVKYIY-SNVBAGLBSA-N 347.481 1.835 0 40 EDAB CCC(CC)(CNC(=O)NCC1(O)Cc2ccccc2C1)C(=O)O 579700891 PNZJMPJTGPXJRG-UHFFFAOYSA-N 334.416 1.707 0 40 EDAB O=C(NCc1nnc2ccc(-c3cccs3)nn12)[C@H]1CCCO1 238954339 XPWYWUVPKFVLPJ-LLVKDONJSA-N 329.385 1.648 0 40 EDAB C[C@@H](C(=O)N[C@@H]1CCN(C(N)=O)C1)c1ccc(Br)cc1 95980902 YYPZMIFOYZJUIZ-BXKDBHETSA-N 340.221 1.822 0 40 EDAB Cc1cnc(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)s1 96439301 BUFMNTGSFLAWOG-GFCCVEGCSA-N 332.433 1.710 0 40 EDAB COc1ccc(CN2C[C@H]3[C@H](N4CCN(C)CC4)COC[C@H]3C2)cc1 96186828 SXFVPSZSJNNESO-MISYRCLQSA-N 345.487 1.389 0 40 EDAB CC(C)[C@H](C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1)N(C)C 97231467 ZVOMLDBFWIERLG-CQSZACIVSA-N 326.485 1.661 0 40 EDAB Cn1nc(C(=O)N2CCOCC2)c2c1CN(Cc1cccs1)C2 96187550 LSBLDCRKJAVCNH-UHFFFAOYSA-N 332.429 1.470 0 40 EDAB Cn1ncnc1CNC(=O)Nc1ccc(Cn2ccccc2=O)cc1 95403854 MBTQLRFBLZIJJB-UHFFFAOYSA-N 338.371 1.347 0 40 EDAB Cn1cc(C(=O)NCCOc2ncc(Cl)cc2Cl)ccc1=O 96475295 VIJGXYVKNYKHTD-UHFFFAOYSA-N 342.182 1.896 0 40 EDAB Cn1cc(N2CC3(CCN(Cc4ccsc4)CC3)OCC2=O)cn1 96201448 GBMIIXLRMUCYSW-UHFFFAOYSA-N 346.456 1.880 0 40 EDAB O=C(O)[C@H](O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1601684346 KCSQHMCPYZUFIW-SNVBAGLBSA-N 339.822 1.248 0 40 EDAB Cc1nc(C(=O)NCCN=S(C)(C)=O)nn1-c1ccc(F)cc1 585085817 UKOWGFAJOVMCKQ-UHFFFAOYSA-N 339.396 1.172 0 40 EDAB Cc1cc(-c2cc([C@H]3CCCCN3S(C)(=O)=O)nc(C)n2)[nH]n1 257211835 CAQJAWDUVOHWLO-OAHLLOKOSA-N 335.433 1.970 0 40 EDAB O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@@H](c2ccncc2)C1 257339829 ZDJQHPWVRREVGS-MRXNPFEDSA-N 335.367 1.876 0 40 EDAB O=C(c1cccc(-n2cnnc2)c1)N1CC[C@H](O)[C@]2(CCCO2)C1 257280948 ONAWWIVOPFSMGN-RDJZCZTQSA-N 328.372 1.023 0 40 EDAB CS(=O)(=O)CCNC(=O)Nc1cscc1Br 585119348 DCJOPIJIFCTEOB-UHFFFAOYSA-N 327.225 1.677 0 40 EDAB Cn1cncc1CC(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 585112968 PPDYLZIBLQYZQL-KGLIPLIRSA-N 348.447 1.915 0 40 EDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H](C)c1nccc(N)n1 585137626 KGJGHYNITOBYBG-SNVBAGLBSA-N 338.437 1.493 0 40 EDAB C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1nccn1C 585113907 WJQOKNUFUGMBKJ-HOCLYGCPSA-N 327.432 1.905 0 40 EDAB Cn1cc(C(=O)NC[C@@H]2CCCN2c2ccnc(C3CC3)n2)cn1 585132721 PIFIHZLRTAZDSM-AWEZNQCLSA-N 326.404 1.486 0 40 EDAB O=C(O)c1ccc(O[C@@H]2CN(Cc3ccc(F)cn3)C[C@H]2O)cc1 257233781 GQSCXSUNFLQZQD-HZPDHXFCSA-N 332.331 1.543 0 40 EDAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1 257290629 QDRHUTRMSVFNDB-GFCCVEGCSA-N 337.383 1.974 0 40 EDAB Cn1ccc2ccnc(CC3CN(C(=O)CN4CCCC4=O)C3)c21 257306203 STHJSYZELLHWKV-UHFFFAOYSA-N 326.400 1.197 0 40 EDAB COCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CC2CC2)C(=O)C3)C1 257315757 VCQUWDJPSWVYQN-ZDUSSCGKSA-N 344.415 1.046 0 40 EDAB COc1cccc(CNC(=O)C(=O)NCC[C@@H](O)c2ccccc2)c1 85436523 OMYUPOFJXFYUQY-QGZVFWFLSA-N 342.395 1.551 0 40 EDAB CNC(=O)c1cnn2c([C@H]3CCN(C(=O)C(C)(C)C)C3)ccnc12 257316831 VHFBGONQJZSJFS-NSHDSACASA-N 329.404 1.451 0 40 EDAB CNc1cc(C)nc([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)c1 257330157 XNCZKQKRKOWDQT-INIZCTEOSA-N 344.419 1.404 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccc(F)cc1)CO2 257290366 QCRJLRRAVDMAQI-QGZVFWFLSA-N 349.450 1.974 0 40 EDAB CN(Cc1ccnc(N(C)C)n1)C(=O)[C@H]1CCc2ccccc2O1 1615050040 IIBZJQDKZFIQFG-MRXNPFEDSA-N 326.400 1.895 0 40 EDAB Cc1csc(N2CCN(S(=O)(=O)N(C)C3CCCC3)CC2)n1 1615541448 XASNRYUTCGFOKA-UHFFFAOYSA-N 344.506 1.693 0 40 EDAB CO[C@](C)(C(=O)NCc1ccc2c(N)noc2c1)C(=O)OC(C)(C)C 600025840 USECIUHFWVFEIH-QGZVFWFLSA-N 349.387 1.773 0 40 EDAB O=C(CCN1CCN(c2cccc(Cl)c2)CC1)NC/C=C/CO 1616037927 QSAQNPNPEQXZGC-OWOJBTEDSA-N 337.851 1.517 0 40 EDAB O=C1C[C@]2(CCN(S(=O)(=O)c3cccnc3)C2)Oc2ccccc21 96025586 ZGRHZKSNOQCKAR-KRWDZBQOSA-N 344.392 1.880 0 40 EDAB O=C(NCc1cn(-c2ccncc2)nn1)c1cnn(-c2ccccc2)n1 390831554 SMRZLSGKJNJAKG-UHFFFAOYSA-N 346.354 1.173 0 40 EDAB CO[C@@H]1C[C@@H](Nc2ncccc2S(=O)(=O)NC(C)C)C1(C)C 571838974 CCPCDOXSDKHAAX-CHWSQXEVSA-N 327.450 1.994 0 40 EDAB COc1nc(CNC(=O)c2cc(Cl)ccc2OC)nc(OC)n1 575603842 LRWOMSAGXMUMMC-UHFFFAOYSA-N 338.751 1.481 0 40 EDAB Cc1cccc(NC(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)c1C 575610657 WXUHPELLKVGSQB-UHFFFAOYSA-N 349.398 1.749 0 40 EDAB CSCC[C@H]1NC(=O)N(CCn2cc(Br)cn2)C1=O 69737678 SZXFZECJAYTDHE-SECBINFHSA-N 347.238 1.319 0 40 EDAB O=C(C1CC(O)C1)N1CCN2C[C@@H](OCc3ccccc3F)C[C@H]2C1 585107889 AXPAEWNQPBUIPB-XGHPGWEVSA-N 348.418 1.398 0 40 EDAB Cc1n[nH]cc1C(=O)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585276831 RDUAWKSTOFTZRD-KRWDZBQOSA-N 333.363 1.303 0 40 EDAB CN(C)C(=O)C[C@@]1(O)CCCN(C(=O)NCC(F)(F)C(C)(C)C)C1 667258102 AZWAHLNFOQXNAN-HNNXBMFYSA-N 349.422 1.683 0 40 EDAB O=C(Nc1cc2c(cn1)OCCC2)[C@H]1COCCN1CC(F)F 585140710 IVVMMXXVJKKOLC-LLVKDONJSA-N 327.331 1.311 0 40 EDAB O[C@@]1(CN2CCOCC2)CCN(Cc2ccc(OCCF)cc2)C1 585269838 LXNLEDWAJQALEM-GOSISDBHSA-N 338.423 1.304 0 40 EDAB COc1ccc(OC)c(CCC(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 44724135 XBPUQLXLSIDZOQ-LBPRGKRZSA-N 341.429 1.187 0 40 EDAB CNC(=O)c1cccc(CNc2cc(N3CCC[C@H]3CO)ncn2)c1 72276084 BKZGEQVTYHUCRA-HNNXBMFYSA-N 341.415 1.409 0 40 EDAB CCOc1ccccc1CCC(=O)NC1CCN(CC(N)=O)CC1 45890120 XQWYYNMLIDRWJC-UHFFFAOYSA-N 333.432 1.084 0 40 EDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)C5CCC5)C[C@H]4C3)ncnc21 1065950772 WWQZJAXMCZXWHI-OKILXGFUSA-N 340.431 1.541 0 40 EDAB O=c1[nH]c(=O)n(C[C@H](O)COCc2ccc(Cl)cc2)cc1Cl 72914810 ZDHMXULQDIQMPE-NSHDSACASA-N 345.182 1.421 0 40 EDAB COC(=O)C[C@@H]1CSCCN1C(=O)c1cn2c(C)cccc2n1 78869206 RSIQSLYQXALEKO-GFCCVEGCSA-N 333.413 1.763 0 40 EDAB Cc1nc([C@H]2COCCN2S(=O)(=O)CC2CCCCC2)no1 96000549 LORFKBMELLWGFA-CYBMUJFWSA-N 329.422 1.661 0 40 EDAB CCN(Cc1ccoc1)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100688894 RAXIGZKYILDEOV-DARAHFNDSA-N 328.368 1.435 0 40 EDAB O=C(c1ccncc1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615156503 OVTFDOBHWNWWHV-DLBZAZTESA-N 336.432 1.616 0 40 EDAB O=C(c1cnccn1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615152384 HOQXJLRJBAZBRE-JKSUJKDBSA-N 337.420 1.011 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3cccc(C)c3)C2=O)C1 5055184 VWLASKBDYXNGDT-INIZCTEOSA-N 344.327 1.303 0 40 EDAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)NCC1CC1 12117548 JFHONBOBAJJUEB-UHFFFAOYSA-N 342.424 1.834 0 40 EDAB CCN(Cc1cncn1C)c1cc2c(cc1OC)n(C)c(=O)n2C 12147715 FJDSRIZEVUXHFE-UHFFFAOYSA-N 329.404 1.646 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2c(=O)[nH]c(N)nc2[nH]1 12562616 MJPORAGRHDSKLC-HTQZYQBOSA-N 336.421 1.015 0 40 EDAB CC(C)c1ccc(Cc2n[nH]c(NN3CCOCC3)nc2=O)cc1 16777518 XYVJEBRTKUIXLW-UHFFFAOYSA-N 329.404 1.538 0 40 EDAB CCN1C(=O)[C@]2(N=C(N)NC(Nc3ccccc3)=N2)c2ccccc21 19332708 OPSSHXQCYBULMC-SFHVURJKSA-N 334.383 1.592 0 40 EDAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(CC1CC1)C2 19707350 OBBYGMFCKKXFFS-MRXNPFEDSA-N 329.448 1.970 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@H]1Cn1cc(C)cn1 100931455 DNKLBXXBUGZLEQ-QOBDKFOYSA-N 330.436 1.323 0 40 EDAB Cc1cc(OC2CN(C(=O)CSC3CCCC3)C2)cc(=O)n1C 225696937 SXJPYQRIRCBHGP-UHFFFAOYSA-N 336.457 1.959 0 40 EDAB COc1ccccc1COC[C@@H](O)CN1C(=O)c2ccccc2C1=O 24084993 WPKVZPRJWMLFOM-AWEZNQCLSA-N 341.363 1.869 0 40 EDAB O=C(c1csnn1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 1565550098 PGQHIURUPNTUJN-DYEKYZERSA-N 332.385 1.384 0 40 EDAB CC(C)N(C)CC(=O)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 1565549962 LEIFTKRZFDYECM-RLFYNMQTSA-N 333.432 1.559 0 40 EDAB CCCCS(=O)(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O 2504034 IDOUFXJQLFYJKR-UHFFFAOYSA-N 332.447 1.551 0 40 EDAB CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1cccc(Cl)c1C 4107550 MIDKUZGLJQRSPO-CYBMUJFWSA-N 346.836 1.526 0 40 EDAB O=c1c2cnn(CCO)c2ncn1Cc1ccc(Br)cc1 4940561 DOFKJJFBLAALSF-UHFFFAOYSA-N 349.188 1.396 0 40 EDAB CN(C)[C@H](CNC(=O)C(=O)Nc1nccs1)c1ccc(F)cc1 10332771 XBXYJGUZLAOLJZ-GFCCVEGCSA-N 336.392 1.640 0 40 EDAB Cc1ccccc1S(=O)(=O)N[C@@H]1CCc2onc(CN(C)C)c2C1 2055732622 VIXCUPWTZUNOSN-CYBMUJFWSA-N 349.456 1.880 0 40 EDAB Cc1ccc(NCCNS(=O)(=O)c2ccccc2Cl)nn1 35597970 MCEXBBSETANWQH-UHFFFAOYSA-N 326.809 1.829 0 40 EDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)COc1ccccc1)C2 225664750 WBJCYYXZKYRDMP-KBPBESRZSA-N 338.429 1.137 0 40 EDAB COC(=O)c1nc(N2CCOCC2)sc1C(=O)c1ccccc1 616580909 XXDQOGHOWJDFNK-UHFFFAOYSA-N 332.381 1.997 0 40 EDAB O=C(C1CN(c2ccc(Br)cn2)C1)N1CCOCC1 2298041221 INCKBSLUFFFMDF-UHFFFAOYSA-N 326.194 1.139 0 40 EDAB Fc1cncnc1N1CCN(c2cccc(-n3cccn3)n2)CC1 2298051622 RLNOTPRRIZLRFZ-UHFFFAOYSA-N 325.351 1.523 0 40 EDAB CCc1nnsc1C(=O)NC[C@@H](O)c1cc(OC)ccc1OC 31330524 MLDACSMMZQMTND-GFCCVEGCSA-N 337.401 1.581 0 40 EDAB C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CCc2cncnc2C1 100882272 JUTYTPZCOAFJPS-HFPIQRBFSA-N 326.404 1.063 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)NCc1ccnc(N2CCOCC2)c1 40525067 VSKYCJNUFXBFNN-LLVKDONJSA-N 347.337 1.502 0 40 EDAB Cc1c(C)c2ccc(OCC(=O)N3CCNC(=O)C3)c(C)c2oc1=O 32094600 XRNWBNQMNJFTJB-UHFFFAOYSA-N 344.367 1.055 0 40 EDAB C[C@@H]1C[C@@H]1CNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 32386894 MAEDGNFRPKLRME-VXGBXAGGSA-N 335.429 1.353 0 40 EDAB Cc1ccc(-c2nnn(CC(=O)NC[C@@H]3CCN(C4CC4)C3)n2)cc1 101684972 WHGPRNBGJGXCAB-AWEZNQCLSA-N 340.431 1.249 0 40 EDAB CC(C)CN1CCO[C@H](CNS(=O)(=O)Cc2ccc(F)cc2)C1 32825839 QNRDYVFKQJAFPP-MRXNPFEDSA-N 344.452 1.602 0 40 EDAB Cc1cc(OCC(=O)N[C@@H](C)C(=O)O)c2c(C)c(C)c(=O)oc2c1 489380 FNZRTGTUISYUDM-NSHDSACASA-N 333.340 1.686 0 40 EDAB biogenic CC(C)[C@@H](NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)C(=O)O 33520820 XHDJVSKQHDFYSX-IAQYHMDHSA-N 334.372 1.416 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1ccccn1 41839235 AABUCQNSBXWXGB-SNVBAGLBSA-N 333.369 1.452 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)NCc1nnc2n1CCCCC2 41820937 ONHJQCMBNBSYBS-UHFFFAOYSA-N 330.436 1.604 0 40 EDAB NC(=O)CC1CCN(S(=O)(=O)N2CCC[C@H]2c2ccco2)CC1 78879991 XBKFODOHTWEYPF-ZDUSSCGKSA-N 341.433 1.249 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccccc2CN2CCOCC2)C[C@@H](C)O1 54101373 ONFPWCMKKWALSE-IYBDPMFKSA-N 347.459 1.838 0 40 EDAB O=C(CN1CCN(Cc2ccco2)CC1)NC(=O)NCc1ccco1 23254138 QBSSVOXXNUXGMV-UHFFFAOYSA-N 346.387 1.016 0 40 EDAB Cc1nnc(COC(=O)CCc2nc3ccccc3c(=O)n2C)o1 23228850 DRCBDYRHCNUFTL-UHFFFAOYSA-N 328.328 1.301 0 40 EDAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(N2CCNC2=O)CC1 54318216 SOBHMHJEKAGVLS-UHFFFAOYSA-N 339.399 1.707 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)N(Cc2ccco2)C2CC2)cc1 42953328 XVVLAERULJQADQ-UHFFFAOYSA-N 349.412 1.801 0 40 EDAB COc1cccc(CNC(=O)[C@H](C)N2CCN(C(=O)C3CC3)CC2)c1 24596576 ZUNBPQRAAQBMES-AWEZNQCLSA-N 345.443 1.254 0 40 EDAB C[C@H]1CN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCO1 24634747 VAUIXOIGHOZBTH-JTQLQIEISA-N 337.445 1.385 0 40 EDAB O=C(NCC(=O)N1CCCC1)NCc1cccc(Cn2cccn2)c1 56374664 SZMTVZVVABFPRT-UHFFFAOYSA-N 341.415 1.353 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H](C)n2nc(C)cc2C)C[C@H]1N1CCOCC1 107323385 HLKADKIADSLXSB-GVDBMIGSSA-N 334.464 1.630 0 40 EDAB O=C(NCCCOCc1ccccc1)c1cccc(-n2cnnn2)c1 25838576 CQQIHBHEQAWOCH-UHFFFAOYSA-N 337.383 1.999 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 24725692 KORRVGRCFOWQQX-CQSZACIVSA-N 340.464 1.975 0 40 EDAB CCc1n[nH]c([C@H]2CN([C@H](C)C(=O)Nc3nccs3)CCO2)n1 107503852 HTYIGXGPDHIBJN-NXEZZACHSA-N 336.421 1.224 0 40 EDAB O=C(N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1)C1(O)CCCC1 107520368 YASUXYSSZRLJLD-IAGOWNOFSA-N 330.428 1.403 0 40 EDAB O=C(CN1CCN(c2nccs2)CC1)NCc1ccc(F)cc1 35271007 COEKCOUFCQNRQW-UHFFFAOYSA-N 334.420 1.721 0 40 EDAB CCOC(=O)[C@@H]1CSCCN1Cc1cc(=O)n2cccc(C)c2n1 26336696 KGDOLVQAPBJYEL-AWEZNQCLSA-N 347.440 1.483 0 40 EDAB O=C(C1CCOCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 57633174 FAJFESXMRBQIAZ-UHFFFAOYSA-N 332.400 1.486 0 40 EDAB CC[C@@](C)(CNC(=O)NCc1nc(C)cs1)N1CCOCC1 48235436 LEFLSUFUWYLSNH-HNNXBMFYSA-N 326.466 1.752 0 40 EDAB COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)c1cnccn1 58283360 WXZCZPCTNCIWKH-UHFFFAOYSA-N 345.355 1.309 0 40 EDAB COc1ccc(S(=O)(=O)N(C2CC2)[C@H](C)C(C)C)cc1C(N)=O 58230607 BNCWIHZGVLGXME-LLVKDONJSA-N 340.445 1.992 0 40 EDAB Cc1ccc(S(=O)(=O)NCCn2ncc3c2c(C)nn3C)cc1 57279773 ORWNEAKXOOBWGY-UHFFFAOYSA-N 333.417 1.365 0 40 EDAB COc1ccc(CC(=O)N2CCCN(c3ncccn3)CC2)cc1 58203010 VSMHTJLESGEJCM-UHFFFAOYSA-N 326.400 1.767 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@]6(CCOCC[C@]516)[C@H]2[C@@H]43 104287771 FXYDLYZRFOYFEA-OVGUFWMDSA-N 349.390 1.199 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)CCNc2ncccn2)CC1 44905402 LNHMRZJXDIIRPL-UHFFFAOYSA-N 339.443 1.931 0 40 EDAB O=C(O)COCC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 44980091 GFYRCRCVTMJGFU-UHFFFAOYSA-N 326.736 1.507 0 40 EDAB CC(C)N(CCCNC(=O)c1cc(C2CC2)[nH]n1)S(C)(=O)=O 44942605 PBJROAXUKJARCN-UHFFFAOYSA-N 328.438 1.077 0 40 EDAB CCC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C 44954016 ULPXLYXGFLWWJD-HNNXBMFYSA-N 346.475 1.990 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)c1cc(Cl)c2c(c1)OCO2 44940376 WLQZSYXQYUZVPL-SNVBAGLBSA-N 326.780 1.519 0 40 EDAB O=C([C@H]1CCOC1)N1CC[C@]2(CCCN(Cc3ccccn3)C2)C1 107191514 UIVVIMRXKUMEGD-LPHOPBHVSA-N 329.444 1.933 0 40 EDAB COc1c(CNC2CCN(Cc3ccccn3)CC2)c(C)nn1C 58393507 NOJTYSMDPBHMJG-UHFFFAOYSA-N 329.448 1.886 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)OCc1ccccc1 58323989 GUQFXTXXTZUPEI-JSGCOSHPSA-N 333.388 1.025 0 40 EDAB C[C@H](CNC(=O)CCCOc1ccc(S(C)(=O)=O)cc1)N(C)C 58393259 BRDGCVRDOYGTSI-CYBMUJFWSA-N 342.461 1.315 0 40 EDAB COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)Cn1cccn1 58354838 ODNDRTMRDVAWQQ-UHFFFAOYSA-N 347.371 1.102 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)N(C)C 27947984 HTMHGFOEIDJQCX-UHFFFAOYSA-N 335.813 1.025 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(F)cc1 28276788 CGXSKXNNABINQT-CQSZACIVSA-N 328.409 1.646 0 40 EDAB NC(=O)CC1CCN(C(=O)NCc2ccc(-n3cccn3)nc2)CC1 45389946 YRRFIIZVUHJGFW-UHFFFAOYSA-N 342.403 1.064 0 40 EDAB Cc1nn(C(F)F)cc1S(=O)(=O)NC[C@@H](C)Cn1nccc1C 36614541 FLFHYPIRVANHTJ-SECBINFHSA-N 347.391 1.706 0 40 EDAB CN1CCN(Cn2nc(-c3ccc4c(c3)OCO4)oc2=S)CC1 22037572 XWIWINMNSHVDPS-UHFFFAOYSA-N 334.401 1.806 0 40 EDAB C/C(=C/C(=O)O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 11566396 CRJVUTXZPURHBY-KHPPLWFESA-N 338.385 1.441 0 40 EDAB CC(C)C[C@@H](NS(=O)(=O)N(C)C1CCCCC1)C(=O)N(C)C 46035004 YABNYTSMQAYZHI-CQSZACIVSA-N 333.498 1.588 0 40 EDAB C[C@H]1CN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C[C@@H](C)O1 12883078 RACLNFSSOZJNHU-AOOOYVTPSA-N 337.445 1.383 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)C1 110597905 OYQGVNRBABENPZ-ZFWWWQNUSA-N 348.422 1.701 0 40 EDAB Cn1c(C(=O)N[C@@H]2CCCS(=O)(=O)C2)ccc1-c1ccccc1 95401889 UXTYVUSUBRDPAC-CQSZACIVSA-N 332.425 1.999 0 40 EDAB CCn1nnnc1S[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 9076974 GMHLNNFQEHDDON-VIFPVBQESA-N 337.405 1.788 0 40 EDAB CC(C)NC(=O)Nc1cccc(C(=O)N2CCCS2(=O)=O)c1 48744503 AFIYHPFCDZYODH-UHFFFAOYSA-N 325.390 1.392 0 40 EDAB CN1C[C@H]2[C@@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccc1 306130284 JBGKKFDECJYLBY-LSDHHAIUSA-N 345.424 1.348 0 40 EDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1cccc(OC)c1 13552585 IWPJILGLKDWAEN-ZIAGYGMSSA-N 340.470 1.786 0 40 EDAB Cc1cc(C)c(COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c(C)c1 64715838 PTNPKBHUCYKJES-VOTSOKGWSA-N 342.395 1.766 0 40 EDAB Cc1cc(=O)[nH]c(SCC(=O)Nc2nnc(C(C)C)s2)n1 5052528 JBAARIAMBWJJIQ-UHFFFAOYSA-N 325.419 1.784 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccncc2)c1 65422291 DBCBEYSXFDASAU-GFCCVEGCSA-N 333.413 1.789 0 40 EDAB Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)NC(N)=O)n2n1 14095357 OSRDLXUIXUWKRU-ZETCQYMHSA-N 330.373 1.261 0 40 EDAB O=C(NCCC(=O)N1CCCC1)c1ccc(N2C(=O)CCC2=O)cc1 14120342 HIVMQFBWXNNODE-UHFFFAOYSA-N 343.383 1.082 0 40 EDAB Cc1cc(O)c2c(C)c(CC(=O)N3CCC(O)CC3)c(=O)oc2c1 9306842 BVASWQHIJXSVKP-UHFFFAOYSA-N 331.368 1.641 0 40 EDAB O=C(O)c1nnn(Cc2ccc(Br)cc2)c1C(=O)O 6816272 COMTUVIKFAQFKD-UHFFFAOYSA-N 326.106 1.485 0 40 EDAB C[C@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@@H](C)O1 66891454 ILKJPYOAQKOYTK-GASCZTMLSA-N 347.463 1.152 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(Cc2ccco2)C1 6947629 NGTQVPZKWGWQKB-NSHDSACASA-N 328.324 1.996 0 40 EDAB Cc1ccccc1-n1nnnc1SCC(=O)NC[C@@H]1CCCO1 7140954 IBAWPEUAUCKCGU-LBPRGKRZSA-N 333.417 1.358 0 40 EDAB CCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 19855555 KWZZYJXSRZDOIW-UHFFFAOYSA-N 335.223 1.351 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)cc1C 68229157 NFHWXUIITXJREY-UHFFFAOYSA-N 347.440 1.778 0 40 EDAB COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cn1 7778580 QKIJWHHPUPOTQQ-UHFFFAOYSA-N 349.412 1.706 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1nnc2ccccc2c1=O 7888263 WZSGHLANRRNINU-DGCLKSJQSA-N 343.387 1.196 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)CN(Cc1ccco1)Cc1ccco1 16418519 XQEYDJRXEHJXOB-UHFFFAOYSA-N 345.399 1.612 0 40 EDAB COc1cccc(CC(=O)N2CCN(Cc3cc(C)no3)CC2)c1 71858707 DRAPDSOXRLPSKI-UHFFFAOYSA-N 329.400 1.879 0 40 EDAB CCC[C@H](C)NC(=O)CSc1nnc(N2CCOCC2)n1CC 8229920 HXLWUESEMBIEGI-LBPRGKRZSA-N 341.481 1.532 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)[C@@H](c2ccccc2)n2cccn2)CC1 70003942 CFZBSYVUKISHOT-ZWKOTPCHSA-N 342.443 1.388 0 40 EDAB CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C1=O 81807442 YJSPZBXSWMSKEP-OAHLLOKOSA-N 325.368 1.947 0 40 EDAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@@H](N2CCNC2=O)C1 71830604 FAXJQHZJAMGJEF-MRXNPFEDSA-N 343.427 1.570 0 40 EDAB CC[C@@H]1CN(C(=O)CN(C)Cc2cnn(-c3ccccc3)n2)CCO1 71830891 ZRAWCXRSWRTINK-QGZVFWFLSA-N 343.431 1.337 0 40 EDAB CN(Cc1cccc(C(N)=O)c1)[C@H]1CCCN(c2cnn(C)c2)C1=O 98013259 QXIIJMJOZFVQKO-INIZCTEOSA-N 341.415 1.146 0 40 EDAB CS(=O)(=O)Nc1ccccc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 69514609 FHBCIXJUURMQOO-HUUCEWRRSA-N 338.429 1.842 0 40 EDAB CC(=O)N(CCC(=O)N1CCn2c(C)nnc2C1)Cc1ccccc1 69560218 KGRXNHGQRILIET-UHFFFAOYSA-N 341.415 1.368 0 40 EDAB COc1ccc(N[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)cn1 71902412 MDTFOHCLHJFGBP-CYBMUJFWSA-N 342.403 1.029 0 40 EDAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@H](O)C1CCCC1 71910839 HECUVCBWQKJFIE-INIZCTEOSA-N 343.427 1.913 0 40 EDAB C[C@@H](C(=O)OCC(=O)NC(N)=O)N1CCC(Cc2ccccc2)CC1 69669653 POWQCILFLHXWDE-ZDUSSCGKSA-N 347.415 1.068 0 40 EDAB CCOc1ccc(Cl)c(C(=O)N2CCN(C[C@H](C)O)CC2)n1 69632354 XBBIOGNFEZHHJN-NSHDSACASA-N 327.812 1.272 0 40 EDAB CCOC(=O)c1csc(CNC(=O)/C=C/c2c(C)nn(C)c2C)n1 74078851 BNHYWMQXCBQNJM-VOTSOKGWSA-N 348.428 2.000 0 40 EDAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCN(CCO)CC2)no1 69816143 DIEPGIZVYARQKQ-QGZVFWFLSA-N 344.415 1.273 0 40 EDAB CC[C@@H](NC(=O)CNC(=O)COc1ccccc1)c1cnn(CC)c1 69847826 ISOAFLLIKLEYQN-MRXNPFEDSA-N 344.415 1.666 0 40 EDAB COc1cccc(CNC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)n1 95977735 SQGYVHNGVNSVHR-LLVKDONJSA-N 346.353 1.868 0 40 EDAB Nc1ccc(F)c(NC(=O)CCN2CCC(Cn3ccnn3)CC2)c1 95973438 SGKGCWKPKGSGHN-UHFFFAOYSA-N 346.410 1.740 0 40 EDAB COc1cccc(OCCNc2cc(N3CCC[C@@H]3CO)ncn2)c1 72276079 KSJSSKRAJXCOKO-CQSZACIVSA-N 344.415 1.937 0 40 EDAB CC1CCC(N2C[C@@H](C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2=O)CC1 72291519 UAOYNUOBZDWAQM-RAFNIBEQSA-N 335.448 1.151 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)CN2C(=O)NC(=O)C2(C)C)c1 72289269 QPWNZDNMXPBLGT-UHFFFAOYSA-N 346.431 1.085 0 40 EDAB O=C(CCNC(=O)c1ccc(F)c(F)c1F)NCc1ccccn1 97164019 RALNWDNVBCBQEZ-UHFFFAOYSA-N 337.301 1.935 0 40 EDAB CC(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)cc1 95956693 ICPDEYDTEBYMTJ-HNNXBMFYSA-N 332.425 1.931 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CC(=O)Nc2ccccc21 89364930 GLFYXKQTPZJIQE-LBPRGKRZSA-N 325.372 1.309 0 40 EDAB Cc1nc2c3ccccc3nc(N3CCO[C@@H](c4cnn(C)c4)C3)n2n1 75106979 KIOAFXNJXHWAJQ-MRXNPFEDSA-N 349.398 1.897 0 40 EDAB Cc1noc(CCCC(=O)NC2(C(=O)NCC3CC3)CCCC2)n1 89721104 DXUUDPVEGJPGDR-UHFFFAOYSA-N 334.420 1.656 0 40 EDAB O=C(c1ccc(N2CCCC2)nc1)N1CCC[C@@H](n2cncn2)C1 75602628 WGTUTDBTWIWRHO-OAHLLOKOSA-N 326.404 1.751 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)CC4CCCC4)CC3)ncnc21 29529146 QBNAGVKCPWXPJJ-UHFFFAOYSA-N 328.420 1.592 0 40 EDAB COC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 408618417 KGJPWEWIOANRAO-OLZOCXBDSA-N 328.434 1.301 0 40 EDAB Cn1cnc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 179434251 NWNCGCJXAUDPRM-HZPDHXFCSA-N 328.416 1.033 0 40 EDAB Cc1nnnn1-c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 71280414 FBFCGCLCWSSPAY-UHFFFAOYSA-N 337.339 1.629 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)c(C)c2)cc1 409376650 CFMJKIHIDVKUSN-UHFFFAOYSA-N 334.397 1.968 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 521394156 UBXJGFDCNHUQDI-GVDBMIGSSA-N 339.457 1.936 0 40 EDAB O=C(CCc1ccc(-c2ccccc2)[nH]1)N1C[C@@H](CO)[C@H](CO)C1 529692540 SCUYAQJNCVVZDM-HOTGVXAUSA-N 328.412 1.674 0 40 EDAB CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC(C)C 217709322 RRVHZPRCLMXLBR-UHFFFAOYSA-N 344.433 1.910 0 40 EDAB O=C(Nc1cccc(F)c1)[C@@H]1Nc2cc(F)ccc2S(=O)(=O)N1 35507005 YGILGBOTIMBWMC-CYBMUJFWSA-N 339.323 1.633 0 40 EDAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2cscn2)CC3)C1 72368624 LDKYONWRRFTEPD-LBPRGKRZSA-N 346.460 1.242 0 40 EDAB CNC(=O)c1cn[nH]c1[C@]1(C)CCCN(C(=O)c2coc(C)n2)C1 72388809 VYBMVZVJVUOTLD-MRXNPFEDSA-N 331.376 1.260 0 40 EDAB CN1C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc21 74936312 KBOUMRFUJVQFET-UHFFFAOYSA-N 332.381 1.520 0 40 EDAB CNS(=O)(=O)c1cc(I)ccc1OC 72414322 VNYIOLIJPSQUGI-UHFFFAOYSA-N 327.143 1.208 0 40 EDAB Cn1ccnc1C(=O)Nc1ccc(OC(=O)c2ccnn2C)cc1 35655151 SGGUJVHRFAENST-UHFFFAOYSA-N 325.328 1.625 0 40 EDAB COc1c(C)c2c(c(O)c1C[C@@H](O)[C@@]1(C)CCC(=O)O1)C(=O)OC2 14455553 WSNMPAVSZJSIMT-PIGZYNQJSA-N 336.340 1.379 0 40 EDAB biogenic,in-vitro Cc1cccc2sc(NC(=O)CNC(=O)c3ccc(=O)[nH]c3)nc12 42384824 RLHUYNBTUCQAJP-UHFFFAOYSA-N 342.380 1.662 0 40 EDAB CC(C)(O)c1cn(C2CCN(C(=O)CCc3ccncc3)CC2)nn1 48194385 AKLYUPKGOXQGPU-UHFFFAOYSA-N 343.431 1.697 0 40 EDAB CC1=C([C@](C)(O)[C@](C)(O)C2=C(C)C(C)(C)OC2=O)C(=O)OC1(C)C 17198195 WSBJERHYNMJZCF-HDICACEKSA-N 338.400 1.792 0 40 EDAB biogenic CCn1c(-c2ccccn2)nnc1S(=O)(=O)CCn1cccn1 195197157 JVBSZGKKRGOALX-UHFFFAOYSA-N 332.389 1.030 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)CCSC)cc1F 75157572 BFSJZEAQYHKPKZ-ZDUSSCGKSA-N 337.438 1.617 0 40 EDAB O[C@H]1CCCC[C@@H]1N1CCN(c2nccc(C(F)(F)F)n2)CC1 89893131 MYNUBCWMECIGTJ-RYUDHWBXSA-N 330.354 1.921 0 40 EDAB Cc1nn(C(C)(C)C)cc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 570699212 SGBBSGJHJYFWCC-ZDUSSCGKSA-N 337.420 1.804 0 40 EDAB Cn1nccc1CS(=O)(=O)Cc1ccn(-c2ccccc2F)n1 194447196 XAUCNRHQNSKDCK-UHFFFAOYSA-N 334.376 1.860 0 40 EDAB CN1CCN(c2ncc3c(n2)CN(c2cccc(F)c2)C3=O)CC1 46087097 SANACJNXWTVVLH-UHFFFAOYSA-N 327.363 1.528 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)[C@@H]2CO[C@@H]3C=CC=C[C@@H]3O2)CC1 223207573 JUMRYALZEUMCEM-PMPSAXMXSA-N 334.416 1.028 0 40 EDAB CSc1nnc(NC(=O)c2cccc(NS(C)(=O)=O)c2)s1 223216848 FBEJMFZFXJCGJR-UHFFFAOYSA-N 344.443 1.884 0 40 EDAB COc1ccc(OC)c(NC(=O)C[C@@H]2Cn3nc(C)nc3NC2=O)c1 40386707 CVWLDTZILGXJTA-SNVBAGLBSA-N 345.359 1.201 0 40 EDAB COC(=O)C[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(Cl)cc1 44868471 NVDADRKIEZLSOV-ZDUSSCGKSA-N 349.774 1.468 0 40 EDAB C[C@H]1Oc2cc(S(=O)(=O)Nc3nccs3)ccc2NC1=O 220237269 VIPIEAZGOAVWMF-SSDOTTSWSA-N 325.371 1.663 0 40 EDAB Cc1ccc(N[C@@H]2CO[C@]3(CCCN(Cc4cnn(C)c4)C3)C2)nn1 96048447 PLTNSDAAPSNWPM-FUHWJXTLSA-N 342.447 1.754 0 40 EDAB O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCCn2ncnc21 96433468 LWSLCCQEEJNVEZ-UHFFFAOYSA-N 348.363 1.202 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1 96066226 RLRKGNGWSORYAD-AEGPPILISA-N 328.372 1.688 0 40 EDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CCOCC3)C2)c1 96206472 ZFWPCHLYPLPOCL-QUCCMNQESA-N 344.455 1.692 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)CN(Cc1ccccn1)CCO2 96158854 NQMFTDNDGZKZHC-UHFFFAOYSA-N 339.461 1.098 0 40 EDAB CN1CCN(Cc2cnc3n2CCN(Cc2ccncc2)CC3)CC1 96196927 SAWRNKJFTNPSCD-UHFFFAOYSA-N 340.475 1.084 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 96055519 LSTTYXZMVPDAAM-DJIMGWMZSA-N 346.427 1.893 0 40 EDAB CN(C)CCOC[C@H]1CN(Cc2ccc(F)cc2)Cc2nnn(C)c21 96060668 QNPLLTSNVHCAQD-OAHLLOKOSA-N 347.438 1.632 0 40 EDAB Cc1nc(CN2C(=O)CO[C@@H]3CN(Cc4ccco4)C[C@H]32)cs1 96081609 LCSHZJQSUGEXME-HUUCEWRRSA-N 333.413 1.656 0 40 EDAB Cc1noc([C@@H]2CCO[C@@H]3CCN(C(=O)c4cnccn4)C[C@@H]32)n1 96043450 DLKQIIRSSROQMS-YRGRVCCFSA-N 329.360 1.203 0 40 EDAB CCC1=NC(=O)[C@]2(CC[C@@H]3CN(C(=O)NCc4ccccc4)C[C@@H]32)N1 96261564 ORGSCKKNUBSXLA-ZRGWGRIASA-N 340.427 1.915 0 40 EDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)CC(=O)N2CCCC2)on1 583623103 RIFJAXYJIKZYNV-GJZGRUSLSA-N 338.427 1.450 0 40 EDAB CCn1cc(S(=O)(=O)N[C@@H](C)c2noc(C(F)(F)F)n2)cn1 583651724 RUCXVJGCXJFENB-LURJTMIESA-N 339.299 1.344 0 40 EDAB Cc1cc(NC(=O)CN[C@@H](C)c2ccc(-n3cncn3)cc2)n(C)n1 96490801 GYMZPIRVFWPXTO-ZDUSSCGKSA-N 339.403 1.599 0 40 EDAB Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2ccsc2)cn1 96200953 KBZXKCFXERBKEQ-MSOLQXFVSA-N 346.500 1.999 0 40 EDAB Cn1cc(CN2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)N3CCCCO3)C2)cn1 96208439 XNQGXBOPWSQSLE-BRWVUGGUSA-N 348.447 1.201 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1nc2ccc(Cl)cc2[nH]1 584906850 VQEIUEVVNYSTBA-RKDXNWHRSA-N 341.820 1.828 0 40 EDAB O=C(NO[C@@H]1CCCCO1)c1ccccc1S(=O)(=O)C(F)F 585087324 NJPFCAYHLXXIHG-LLVKDONJSA-N 335.328 1.871 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](NCCCO)[C@H]([C@@H]2CCOC2)C1 585085423 NEBQZMIYVALYSM-ILXRZTDVSA-N 328.453 1.621 0 40 EDAB C[C@H]1C[C@@H](C)C[C@H](NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)C1 585090350 YZNPVYBEIFXVAF-SFTQSGBHSA-N 337.395 1.252 0 40 EDAB Cn1cnc(NC(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)n1 585090740 CDGGQUMCBKIASI-BZNIZROVSA-N 335.408 1.791 0 40 EDAB COCCOc1ccc(NC(=O)[C@H]2CCCNC2=O)cc1Cl 585131736 FDGTUGHPGPZQBV-NSHDSACASA-N 326.780 1.830 0 40 EDAB CN(C)C(=O)CNC(=O)C1=Cc2ccccc2O[C@@H]1C(F)(F)F 585131880 IXSHXLBMUJCMGB-ZDUSSCGKSA-N 328.290 1.598 0 40 EDAB CNC(=O)[C@]1(C)CN(C(=O)c2[nH]c3ccc(F)cc3c2C)CCO1 257223483 DXOALKMOTWOIBF-KRWDZBQOSA-N 333.363 1.593 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CC[C@@H]4OCC(=O)N(C)[C@H]4C3)cc2c1C 257240354 HTCJRRZEAKHCID-IRXDYDNUSA-N 341.411 1.856 0 40 EDAB O=S(=O)(c1cccnc1)N1CCOC[C@@H](Cc2ccccc2)C1 257230053 GAPCWHOUCFGNDW-INIZCTEOSA-N 332.425 1.961 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)Cc3cccnc3)CC[C@H]21 257269043 MOILWTVKGMQILZ-DLBZAZTESA-N 345.443 1.500 0 40 EDAB CCN1C(=O)C(=O)N(CC)C1(OC(C)C)c1nc(Cl)c(Cl)[nH]1 255190042 UOLNCFBQCJBDKM-UHFFFAOYSA-N 349.218 1.962 0 40 EDAB CS(=O)(=O)N1CCC(c2ccnc(Nc3cnccn3)c2)CC1 257316611 VGHGCSMFUJEKFK-UHFFFAOYSA-N 333.417 1.754 0 40 EDAB Cc1c[nH]c([C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1 257214028 CKFHMACHFHOHHK-OAHLLOKOSA-N 335.429 1.695 0 40 EDAB O=C(CCN1CCc2ccccc21)N1CC[C@@](O)(CN2CCCC2)C1 257212763 CEWNFCXDKBDIGL-HXUWFJFHSA-N 343.471 1.498 0 40 EDAB CC(C)Oc1ccc([C@@H]2CNCCN2C(=O)CN2CCOCC2)cc1 257215752 CRMOPLDFRGWLQZ-SFHVURJKSA-N 347.459 1.279 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@H]2c2cncc(C)n2)c1C 257290249 QCDXJVFSFRBQGZ-AWEZNQCLSA-N 335.433 1.836 0 40 EDAB CC(=O)NCC(=O)N1CC[C@@H]2O[C@@](C)(COc3ccccc3)C[C@@H]2C1 257226692 FLSRGRQKUHHFSV-HHXXYDBFSA-N 346.427 1.598 0 40 EDAB C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccccc2)N2CCOCC2)CCO1 271306799 VULFQQALFRLXPZ-BPQIPLTHSA-N 347.459 1.927 0 40 EDAB Nc1c(C(=O)NCCOCC(F)(F)F)ccnc1C(F)(F)F 1615587383 ZYGNFGNLCGTVJH-UHFFFAOYSA-N 331.216 1.991 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCc2cccc(F)c2)[C@H]1c1nccn1C 1615588372 DZSVFNGWIVVRCM-ZFWWWQNUSA-N 330.363 1.395 0 40 EDAB COCCN1CCC(NC(=O)N2CCC(c3cncn3C)CC2)CC1 1615615152 PMPABUYQMUVLIH-UHFFFAOYSA-N 349.479 1.420 0 40 EDAB CC1(C)NC(=O)N(CCCSc2nnnn2-c2ccccc2)C1=O 298442801 VMHJIQWKBJZUAP-UHFFFAOYSA-N 346.416 1.475 0 40 EDAB COC[C@@H]1CC2(CCN(C(=O)C3CC(O)C3)CC2)CN1CC1CC1 585103541 JCAJCYQLECAGAX-CGZBRXJRSA-N 336.476 1.497 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2ccccc2)[C@@H]2CCO[C@H]12 585109192 CPNNPEXAWJCCGT-BRWVUGGUSA-N 340.379 1.826 0 40 EDAB Cc1cccc(C)c1OCCC(=O)N[C@H](CO)[C@H](O)c1ccccn1 585134475 VMZKLNXCBKGUAY-SJLPKXTDSA-N 344.411 1.678 0 40 EDAB CCc1nn(C)cc1NC(=O)N1CC(=O)N(C)c2ccccc2C1 585140391 CUWBPRSGZPSHLL-UHFFFAOYSA-N 327.388 1.993 0 40 EDAB COc1ccc(CNC(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1 585327041 XVEOOLZSHRIIEX-UHFFFAOYSA-N 347.371 1.348 0 40 EDAB O=C(CCCc1cn[nH]c1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585272025 KGHSPTPMJAKIAB-IBGZPJMESA-N 343.427 1.565 0 40 EDAB COC(=O)CCNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 69464099 TWVDHVGHZRQJOU-UHFFFAOYSA-N 348.380 1.761 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCc2csc(Br)c2)C1 46941315 FPEQWCVSNOEQKM-MRVPVSSYSA-N 332.223 1.527 0 40 EDAB Cn1c(C(=O)NCC2(C(N)=O)CCOCC2)cc(Cl)c1Cl 52744455 DSXJVPOMTMNPRO-UHFFFAOYSA-N 334.203 1.344 0 40 EDAB COc1ccc(O)c(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)c1 95462961 NJHOFBZRZVVDIX-ZDUSSCGKSA-N 348.380 1.006 0 40 EDAB CNS(=O)(=O)CCCN1CCC[C@H]1c1cccc(N(C)C)c1 75838853 UVZYWWUJMNWLBS-INIZCTEOSA-N 325.478 1.829 0 40 EDAB CCC(=O)N1CC[C@@H](NCc2ccc(OCC(N)=O)cc2)[C@H](C)C1 76057301 ARWFYFSPKXHOJN-CZUORRHYSA-N 333.432 1.287 0 40 EDAB CC(C)(C)c1n[nH]cc1CNC[C@@H]([C@@H]1CCOC1)N1CCOCC1 97159493 WHHQTGURASUZFH-ZBFHGGJFSA-N 336.480 1.534 0 40 EDAB COC(=O)[C@H](O)C1CCN(CCN2CCCc3ccccc32)CC1 90565223 PJHPGKYDTAEFBC-GOSISDBHSA-N 332.444 1.685 0 40 EDAB Cn1ncc(N[C@@H]2CCC[C@H]3OCC[C@H]23)c(Br)c1=O 95415145 FMKNZZXPFGQXAU-FXPVBKGRSA-N 328.210 1.912 0 40 EDAB CC(C)NC(=O)N1CCN2CC(=O)Nc3ccccc3OC[C@H]2C1 1772594724 OGYRGACENZWBSB-CYBMUJFWSA-N 332.404 1.122 0 40 EDAB CC(C)n1nc(C(=O)N2CCN(c3ccccc3)CC2)ccc1=O 11781038 PICQFBOYESJDNK-UHFFFAOYSA-N 326.400 1.787 0 40 EDAB CCOc1ccc(NC(=O)CN2C(=O)[C@H](C)S[C@H](C)C2=O)cc1 13136232 GJLQDHVBWSNZEY-PHIMTYICSA-N 336.413 1.903 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)on1 19119885 ZUYVOEXEHFVYBW-GOSISDBHSA-N 341.367 1.780 0 40 EDAB COc1cccc(NC(=O)C2CN(C(=O)CN3CCC(C)CC3)C2)c1 19747702 ICADIACNWDEVDM-UHFFFAOYSA-N 345.443 1.824 0 40 EDAB COc1ccc(-n2ccn3c(=O)n(CC4CCC4)nc3c2=O)cc1 1888904075 LDAYTXRYMZJECF-UHFFFAOYSA-N 326.356 1.456 0 40 EDAB C[C@@H]1CN(C[C@@H]2C[C@@H]3CCN(c4ncccn4)C[C@@H]3O2)C[C@@H](C)O1 2056225080 BCRFXBLKEDTGMX-NRKLIOEPSA-N 332.448 1.570 0 40 EDAB CC[C@H]1N(C(=O)CCc2cncnc2)CCC[C@]12CCC(=O)N2C 1565548840 KVAWXLPTVGWLNK-QAPCUYQASA-N 330.432 1.801 0 40 EDAB CCNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007599 WJHPRVNZDSCYFB-UHFFFAOYSA-N 327.384 1.583 0 40 EDAB CCOC(=O)CCC(=O)NC[C@@H]1CN(c2ccc(C)cc2)C(=O)O1 9068697 PVVYALGFNQAKEY-CQSZACIVSA-N 334.372 1.780 0 40 EDAB O=S(=O)(c1c(F)cccc1F)N1CCC(n2ccnn2)CC1 206940894 HUPJRAYALIWIBU-UHFFFAOYSA-N 328.344 1.582 0 40 EDAB CN(C)c1cccc(C(=O)N[C@@H]2CCc3nc(N(C)C)ncc3C2)c1 585150353 OMLNDNIHVAYDRS-OAHLLOKOSA-N 339.443 1.896 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@](C)(O)Cc1ccco1 206617974 GHLQSULOECDXML-HNNXBMFYSA-N 327.377 1.999 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)COc2ccc(OC)cc2)CC1 19809502 GWAJOPYUYPMDTC-AWEZNQCLSA-N 338.404 1.209 0 40 EDAB Cn1cc(/C=C/C(=O)N(Cc2cccs2)C2CC2)c(=O)n(C)c1=O 30302251 XIIZJLSTPYUZEJ-VMPITWQZSA-N 345.424 1.350 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC[C@H](C(F)(F)F)NC1=O 30671514 FXEGCNQCTXHKHS-BXKDBHETSA-N 344.289 1.489 0 40 EDAB O=C(C1CCCCC1)N1CC(=O)N(CCc2ccccc2)[C@@H](O)C1 33795 URWGVJCAPYTBRW-KRWDZBQOSA-N 330.428 1.799 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)N[C@H](C)Cn3cccn3)CC2=O)cc1 31389238 CJDGCODJPUAUSK-HUUCEWRRSA-N 326.400 1.749 0 40 EDAB CN1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3s2)CC1 20312398 JNSGEOLFCSUFAU-UHFFFAOYSA-N 328.397 1.297 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1C(=O)O 100776054 VPVJMOXWDSXDAW-CHPZLBCBSA-N 342.351 1.354 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCS(=O)(=O)C3)cn2)n1 40510929 UNLNXYVDRUZEKP-LBPRGKRZSA-N 334.401 1.257 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1C[C@@H](O)c1ccc(F)cc1F 51260142 ODFRSWHGXXZIEM-RISCZKNCSA-N 328.340 1.426 0 40 EDAB CC(C)[C@@H](C(=O)N1CCN(C)CC1)n1cnc2ccccc2c1=O 20547881 OULYQERHBJCPMG-INIZCTEOSA-N 328.416 1.368 0 40 EDAB O[C@@H](CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cn1cccn1 51560299 KGQLNGLZCPAONP-JKSUJKDBSA-N 329.400 1.852 0 40 EDAB O=C(Nn1cnnc1S)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 32795818 CBDTUBFSLBKWQE-QMMMGPOBSA-N 337.792 1.343 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c(F)c1 32776131 YVFMEGKQRQYZRG-YMTOWFKASA-N 340.326 1.846 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc2c(c1)OCO2 102369826 DTXFRXHVAZUGKX-RYUDHWBXSA-N 328.324 1.305 0 40 EDAB O=C1[C@H]2[C@H](C(=O)N1c1cnn(Cc3cccc(F)c3)c1)[C@H]1CC[C@H]2O1 102604669 JVJGDQUWIYUOTE-KLHDSHLOSA-N 341.342 1.737 0 40 EDAB CCCNC(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 41399090 ITBOQJLBZUDPAP-UHFFFAOYSA-N 333.432 1.892 0 40 EDAB COCCn1cnnc1SCC(=O)Nc1cc(F)ccc1F 21999539 OISQUQFBUBJJEH-UHFFFAOYSA-N 328.344 1.934 0 40 EDAB CC[C@](C)(CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)N1CCOCC1 41406166 ATFWWXULJDNRIX-CXAGYDPISA-N 343.468 1.517 0 40 EDAB CNC(=O)c1ccc(NC(=O)CN(CCO)Cc2ccccc2)cc1 70927939 QHKWBKQCOFNJFC-UHFFFAOYSA-N 341.411 1.479 0 40 EDAB CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O 8947317 KAXWGVYAWVPHLK-GOSISDBHSA-N 331.416 1.887 0 40 EDAB Cn1cc(CCNC(=O)Nc2ccc(N3CCOCC3)nc2)cn1 46987930 IZJROFKAUOKUTC-UHFFFAOYSA-N 330.392 1.016 0 40 EDAB CCc1nnnn1-c1ccccc1NC(=O)N[C@@H](C)c1cnn(C)c1 78973239 JHXFMKUVSWKXPD-NSHDSACASA-N 340.391 1.841 0 40 EDAB CC(C)(C)N1C[C@@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC1=O 79076563 IZRDLJJIJIZUAO-STQMWFEESA-N 333.436 1.698 0 40 EDAB Cc1c(CC(=O)NCC(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2122993 HOIBOVQFQKRSPE-UHFFFAOYSA-N 325.704 1.204 0 40 EDAB biogenic CC(C)CNC(=O)NC(=O)CSc1nncn1-c1ccccc1 3546355 DYOVXHISTADFNH-UHFFFAOYSA-N 333.417 1.841 0 40 EDAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCC1 800759 WYWOXRIKWSSFSS-UHFFFAOYSA-N 338.429 1.472 0 40 EDAB COc1ccc2c3c1O[C@@H]1[C@@](C)(O)[C@@H](O)C[C@@H]4[C@H](C2)N(C)CC[C@]341 4972555 FDQOEXDFLWOOAL-OGODDNDOSA-N 331.412 1.086 0 40 EDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCC(=O)Nc1ccccc1 54585781 OOWBFLFWZDRDAG-INIZCTEOSA-N 343.383 1.789 0 40 EDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 37471617 YCZKDCFPIOJOGW-ZBFHGGJFSA-N 329.444 1.988 0 40 EDAB Cc1ccc(OCCN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)cc1 106918645 XYOVAHFLZYLPCT-KDOFPFPSSA-N 331.416 1.684 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCNC(=O)C(C)C)CC2=O)cc1F 26363274 YEFXSLIRWIYKTN-ZDUSSCGKSA-N 349.406 1.375 0 40 EDAB CC(C)[C@H](C)N(C(=O)CNC1=NS(=O)(=O)c2ccccc21)C1CC1 57341277 CBIXIFBKCNZAOM-LBPRGKRZSA-N 349.456 1.761 0 40 EDAB CCc1noc2ncc(S(=O)(=O)NC[C@@H](C)Cn3cccn3)cc12 97139769 NYPWTYPUSLYDBG-LLVKDONJSA-N 349.416 1.596 0 40 EDAB Cc1cccc(N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)c1C 44295730 LTGRUAYRNAJJSV-MRXNPFEDSA-N 329.444 1.820 0 40 EDAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O 57486019 ISSJMXRVRQSTQM-UHFFFAOYSA-N 335.429 1.503 0 40 EDAB O=C1N[C@@H](c2cc(Br)cc3c2OCC3)N2CCOC[C@@H]12 97142074 LZAPIKUUUPZAAX-WCQYABFASA-N 339.189 1.213 0 40 EDAB COC(=O)c1ccc(NC(=O)N2CCC(NC(=O)C3CC3)CC2)cc1 48009008 YYYKXXHNLNCNOR-UHFFFAOYSA-N 345.399 1.996 0 40 EDAB CC[C@H]1CN(CC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)CCO1 27116860 YIYACYOHSZTAEQ-NSHDSACASA-N 334.376 1.182 0 40 EDAB Cc1ccc(C(=O)N2CCN(C[C@H](O)CN3CCCC3)CC2)cc1F 58066778 OONFXNGXYBQHNH-QGZVFWFLSA-N 349.450 1.349 0 40 EDAB C[C@H](NCC(=O)N1CCOCC1)c1nc(Cc2ccccc2)no1 97112464 JAZYIVVMOFFTHP-ZDUSSCGKSA-N 330.388 1.170 0 40 EDAB COc1cccc(COCC(=O)N2CCN(c3ncccn3)CC2)c1 44939276 CRZUYDWNOLPBTD-UHFFFAOYSA-N 342.399 1.351 0 40 EDAB COc1cccc(CCNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1 44952742 AIHWZDHSJAQFCM-HNNXBMFYSA-N 340.445 1.168 0 40 EDAB COC(=O)c1ccccc1NC(=O)N[C@@H](CCSC)C(=O)OC 2103915 RDUOJLWTRNNEQS-LBPRGKRZSA-N 340.401 1.889 0 40 EDAB biogenic Cn1ccnc1[C@@H](NC(=O)NC[C@H]1CCOC1)c1cccc(F)c1 48255443 MSXQPLAJGGMGOS-DOMZBBRYSA-N 332.379 1.984 0 40 EDAB Cn1ccnc1[C@@](O)(CCNC(=O)c1cccnc1)C(F)(F)F 58325705 BDTASBWAADWKJU-ZDUSSCGKSA-N 328.294 1.385 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccnc(N(C)C)c1 48231639 UZPTVTIHJAOLMM-SJKOYZFVSA-N 327.384 1.992 0 40 EDAB C[C@@H](C(N)=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 58341655 FKVATQRDHQFZNT-JTQLQIEISA-N 340.221 1.081 0 40 EDAB CCc1nnsc1C(=O)NCc1ccc(CN2CCOCC2)cc1 28021481 ALGREFGTEAOFRK-UHFFFAOYSA-N 346.456 1.863 0 40 EDAB O=C1CCC(=O)N1CCOP1(=O)COc2ccccc2OC1 2225973 DGBSOZYATOLJSV-UHFFFAOYSA-N 325.257 1.817 0 40 EDAB O=C(COc1ccc(F)cc1F)N[C@@H]1CCO[C@]2(CCOC2)C1 95457912 DOZQZMPCAVPDOO-MLGOLLRUSA-N 327.327 1.798 0 40 EDAB C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 95401282 AZZCRHZVUPPQDW-OLZOCXBDSA-N 344.502 1.715 0 40 EDAB Cc1noc([C@@H](C)N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)n1 45803154 IHWYQOUKJZVKFB-FRRDWIJNSA-N 336.436 1.787 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)NCC(C)(C)N1CCN(C)CC1 48331977 BCFIIUYURVSOQR-UHFFFAOYSA-N 337.468 1.459 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCCN2CCCCCC2)c1 48308743 QYGGQXBPRBMTPQ-UHFFFAOYSA-N 342.461 1.858 0 40 EDAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1coc(-c2ccc(OC)cc2)n1 46127558 HXYBPXXXZTZDNX-SNVBAGLBSA-N 338.385 1.400 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nccn2C)cc1 3453857 ZJPWKUNDCXMHBI-UHFFFAOYSA-N 332.429 1.918 0 40 EDAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(CC)C2)c1 49126813 NYDKACXPQRYVDY-CZUORRHYSA-N 345.443 1.700 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCc3ncnc(N(C)C)c3C2)o1 97200448 VXWGXICMRDFBDB-UHFFFAOYSA-N 343.431 1.461 0 40 EDAB O=C(Cc1ccccc1)N[C@H](CCCCCP(=O)(O)O)C(=O)O 4029387 FDQHCBNEKYIVHI-CYBMUJFWSA-N 343.316 1.537 0 40 EDAB biogenic CSc1nc2n(n1)[C@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2 13553123 YDIINOPAODZTOX-QMMMGPOBSA-N 347.356 1.251 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 95447252 ZHGUOBRCTOMNRQ-NOZJJQNGSA-N 341.774 1.492 0 40 EDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NC1CCCCC1 72406406 RLSKOZBWFAIKGW-CQSZACIVSA-N 339.461 1.922 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)[C@@H](C(C)C)n2cncn2)CC1 65489762 BKYZNDPPOJPHIA-MRXNPFEDSA-N 346.435 1.424 0 40 EDAB COc1cc(CNC(=O)[C@H]2C[C@H]2c2ccco2)ccc1OCC(N)=O 65477356 NMEASJCVNJOFLH-OLZOCXBDSA-N 344.367 1.572 0 40 EDAB COc1cc(CN2CCN(c3cnn(C)c3)C(=O)C2)cc(OC)c1 93530444 KATHQZHSIZJMHC-UHFFFAOYSA-N 330.388 1.286 0 40 EDAB CN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 14136797 LUKQWJFYSXUYSZ-UHFFFAOYSA-N 347.440 1.795 0 40 EDAB CC(=O)c1c(SCC(=O)N[C@@H](C)c2ccco2)nc(=O)[nH]c1C 14149349 WJQWOJNUABYQEY-QMMMGPOBSA-N 335.385 1.843 0 40 EDAB CCOC(=O)[C@@H]1CCCN(Cn2nc(-c3ccc(F)cc3)oc2=O)C1 14112227 CAKRFKADIOBRGU-CYBMUJFWSA-N 349.362 1.875 0 40 EDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@@H]1CCOC1 65612559 INCVLPCKHBLGHM-LBPRGKRZSA-N 330.388 1.491 0 40 EDAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2CC(=O)[C@@H]3CC2=O)cc1Cl 4664459 QVXSDPZASGYXCG-CHPZLBCBSA-N 331.755 1.932 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(C)CCN1CCOCC1 66149369 NZOAPFMVECOUIW-CVEARBPZSA-N 327.469 1.555 0 40 EDAB COc1ccc(Cl)cc1N1C(=S)N[C@H]2CS(=O)(=O)C[C@H]21 6673263 YNGCEUOHUHDCOX-WCBMZHEXSA-N 332.834 1.209 0 40 EDAB CN(CC(=O)NC1CC1)c1cnn(-c2ccccc2)c(=O)c1Cl 14634157 JEXAMGGXEPXAHF-UHFFFAOYSA-N 332.791 1.601 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccco1 6788172 WFUHUOXIVIPKQA-GFCCVEGCSA-N 342.351 1.530 0 40 EDAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 66932397 RVLRIGOXNXPGKT-TVQRCGJNSA-N 333.392 1.452 0 40 EDAB CC(C)Cn1c(N)c(-c2csc(NC(C)C)n2)c(=O)n(C)c1=O 9497019 INNBQHOJTNOYCJ-UHFFFAOYSA-N 337.449 1.729 0 40 EDAB NC(=O)[C@@H]1CCN(CCCS(=O)(=O)c2ccc(Cl)cc2)C1 71833191 NGHMCELPPADBBM-LLVKDONJSA-N 330.837 1.311 0 40 EDAB COc1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)cc2c1OCCO2 71866242 RHCHSCHKOFJMCY-CQSZACIVSA-N 343.383 1.968 0 40 EDAB NC(=O)[C@H]1CCN(Cc2cc(Br)c3c(c2)OCO3)C1 71824746 RZMDLNDRBRYWEX-VIFPVBQESA-N 327.178 1.485 0 40 EDAB C[C@@H](NC(=O)COC(=O)C(C)(C)O)c1ccc(Br)cc1 71853912 OWZGXFMQIKNZNJ-SECBINFHSA-N 344.205 1.940 0 40 EDAB O=C([C@H]1CCCN1C(=O)CCc1cccnc1)N1CCSCC1 71898245 DNCXCGWTPITIKT-OAHLLOKOSA-N 333.457 1.581 0 40 EDAB C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 8186103 AVDKCYCHBIBZKS-ZETCQYMHSA-N 345.388 1.297 0 40 EDAB CC(C)n1ccnc1CN1CCCN(C(=O)c2ccc(=O)[nH]c2)CC1 71863898 MKAFPUPMPXNUCH-UHFFFAOYSA-N 343.431 1.500 0 40 EDAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(-n2cnnn2)c1 8232075 HWQDFBWMTLLCDA-UHFFFAOYSA-N 348.366 1.807 0 40 EDAB COC[C@H](CCO)NC(=O)CCc1cc(OC)c(OC)c(OC)c1 83897874 BRMDMYANIJOYIT-ZDUSSCGKSA-N 341.404 1.159 0 40 EDAB CC(C)C(=O)NCCNC(=O)[C@@H](C)NC(=O)CC1CCCCC1 69452494 OGDLAEKQFYMZMN-CYBMUJFWSA-N 325.453 1.350 0 40 EDAB CC(=O)NC[C@H]1CN(Cc2ccc(F)cc2Br)CCO1 71910692 FAKZCBAVQCWEQE-ZDUSSCGKSA-N 345.212 1.925 0 40 EDAB Cc1ccc(CC(=O)N2CCN(C(=O)[C@H](C)n3cncn3)CC2)cc1 69527877 AZZBVGIBJNMIEB-HNNXBMFYSA-N 341.415 1.061 0 40 EDAB CS(=O)(=O)c1ccccc1NC(=O)NCC(=O)Nc1cccnc1 69562479 WGDDNBKIFFZHGT-UHFFFAOYSA-N 348.384 1.245 0 40 EDAB COCCN1CCN(CC(=O)N[C@H](C)c2cc3ccccc3o2)CC1 69654076 MQOOBZOQNNPFAZ-OAHLLOKOSA-N 345.443 1.874 0 40 EDAB COCCOc1ccccc1C(=O)NC[C@@H](C)N1CCN(C)CC1 69656348 OFCNMWMIJUVAIM-OAHLLOKOSA-N 335.448 1.078 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)NCc2ccncc2)ccc1F 69716768 ACOMMDYOTMXTMU-UHFFFAOYSA-N 327.323 1.827 0 40 EDAB CN(CCS(C)(=O)=O)C(=O)NC[C@H]1C[C@]12CCc1ccccc12 88619298 YXULUYIKJNPREF-RHSMWYFYSA-N 336.457 1.577 0 40 EDAB Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@@H]1CCCC[C@@H]1C 69896786 WHLFJUPLQLIDAY-SMDDNHRTSA-N 341.415 1.773 0 40 EDAB Cc1cccc(-n2cc(C(=O)N3CCC[C@H](c4nnn[nH]4)C3)nn2)c1 95976974 AOFJUZGTDBWFJT-LBPRGKRZSA-N 338.375 1.109 0 40 EDAB CC(C)[C@H](C(=O)N1CCC(N(C)c2cccnn2)CC1)n1cncn1 69923906 XBVKZSYRYJBORQ-MRXNPFEDSA-N 343.435 1.393 0 40 EDAB C[C@H](NCc1nc(C(C)(C)C)no1)c1cccc(S(N)(=O)=O)c1 97084049 YFFZCALVBXBFAF-JTQLQIEISA-N 338.433 1.865 0 40 EDAB C[C@@H]1OCCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)[C@H]1C 95995587 HJPWYFBUEMAAEC-IUCAKERBSA-N 344.209 1.789 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c(F)c1 95994982 HJYQCGQKSFIRJQ-ZDUSSCGKSA-N 338.408 1.827 0 40 EDAB CCCCC(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 72297795 GSXROKMRDSFFBC-UHFFFAOYSA-N 339.480 1.254 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)no1 72299039 UYAXJSUYRNLSKJ-OCCSQVGLSA-N 344.371 1.683 0 40 EDAB Cc1cc(C)c(CNC(=O)NCCc2nnc3ccccn23)c(=O)[nH]1 75111109 NVFVCDUNBSJJML-UHFFFAOYSA-N 340.387 1.076 0 40 EDAB O=C(Cc1cccs1)NC[C@@H](O)CN1CCc2ccccc2C1 89861143 KGUVVBOBTCWIIK-MRXNPFEDSA-N 330.453 1.826 0 40 EDAB NC(=O)c1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1 64799514 ZZPYKRDPCBXMQQ-UHFFFAOYSA-N 337.339 1.802 0 40 EDAB CCNC(=O)N1CCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CC1 68251802 JTZZKOKEAIPHSH-UHFFFAOYSA-N 342.440 1.163 0 40 EDAB Cc1cc(=O)c(C(=O)Nc2cccc(N3CCCNC3=O)c2)cn1C 549773561 DCBWQCNOOOWOKT-UHFFFAOYSA-N 340.383 1.866 0 40 EDAB O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC(c2nc(O)n[nH]2)CC1 539927043 IPERKEAOCJZUER-JTQLQIEISA-N 349.416 1.838 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)Cc1cc(Cl)cc2c1OCC2 542612002 IFKOGYRZRYAGAI-GFCCVEGCSA-N 338.835 1.654 0 40 EDAB Cn1c(SCCCN2CCCCC2)nnc1N1CCOCC1 187680076 AWCLQNZZAOGPRU-UHFFFAOYSA-N 325.482 1.620 0 40 EDAB CCc1cccc(S(=O)(=O)NCCc2nc(C(=O)O)cs2)c1 566183187 OQBRESJAEWQHFW-UHFFFAOYSA-N 340.426 1.925 0 40 EDAB O=C(NC1CC1)c1nnn(-c2ccc(NC(=O)c3ccco3)cc2)n1 71000993 HNVFLHYEPFXOEP-UHFFFAOYSA-N 338.327 1.400 0 40 EDAB Cc1cc(C(N)=O)nc([C@@]2(C)CCCN2C(=O)c2cncs2)n1 72388486 CKVZBIOTTJBTLT-OAHLLOKOSA-N 331.401 1.492 0 40 EDAB O=C([C@@H]1CCCN1c1nc2ccccc2o1)N1CC(n2ccnn2)C1 225693827 PRMOYUSFMBORSX-AWEZNQCLSA-N 338.371 1.472 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)c(Cl)cc1Cl 75158396 ZOOOWBXIFNHEET-QMMMGPOBSA-N 337.228 1.811 0 40 EDAB O=C1[C@H](N2C[C@H](O)C[C@H]2CO)CCN1c1ccc(Cl)cc1Cl 225599031 BSZQFYVAJHMRGI-MISXGVKJSA-N 345.226 1.526 0 40 EDAB O=C(O)COCCN1CCO[C@@H](c2cccc(Br)c2)C1 574092968 UTFZNSJFMJFNRY-CYBMUJFWSA-N 344.205 1.924 0 40 EDAB CCOc1ccccc1CCC(=O)N1C[C@H](OC)C[C@H]1C(=O)OC 225632860 WFTHFWVZKDPQGZ-CABCVRRESA-N 335.400 1.807 0 40 EDAB O=C(c1cccnc1)N1CC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96047741 HNPWYAOPVUACDR-WMLDXEAASA-N 325.372 1.357 0 40 EDAB O=C(c1ccccn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 96057979 RHHWCJCKUDEDIB-GVDBMIGSSA-N 325.368 1.928 0 40 EDAB CCO[C@@H](C)c1noc(CN2CCN(c3ncc(C)c(C)n3)CC2)n1 96486667 REEGVPOKHOZSJU-AWEZNQCLSA-N 346.435 1.896 0 40 EDAB O=C(c1c[nH]cn1)N1CCO[C@H]2[C@@H]1CC[C@@H]2COCc1cccnc1 96250059 XJUGCUJFKQXMDZ-HYVNUMGLSA-N 342.399 1.641 0 40 EDAB O=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)N1CCOCC1 96086847 TUYOLKLBPJETRE-HNNXBMFYSA-N 331.416 1.157 0 40 EDAB CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(Cc1cccnc1)C2 514289505 MTPVTDJCCWAEDM-ZWKOTPCHSA-N 330.476 1.043 0 40 EDAB biogenic,in-vitro O=C(Cc1ccccc1)N1C[C@@H]2OCCN(C[C@H]3CCCO3)[C@@H]2C1 96246492 RODLSUMYFIKYDV-KURKYZTESA-N 330.428 1.320 0 40 EDAB O=C(c1ccc(-n2ccnc2)cc1)N1CC[C@@H](CN2CCOCC2)C1 96426628 NZXBSUMJLYSQEU-INIZCTEOSA-N 340.427 1.667 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)Cc3n[nH]c4ccccc34)CC2)S1 96426956 IXKOCZYXPZYDNG-LBPRGKRZSA-N 343.456 1.741 0 40 EDAB CCOC[C@]1(C(N)=S)[C@H](c2ccccc2)[C@H]1S(=O)(=O)CC 242495946 GUFHFHYWKSVMPA-NFAWXSAZSA-N 327.471 1.896 0 40 EDAB CCN(CC)C[C@H]1CC[C@]2(COCCN(C(=O)c3cccn3C)C2)O1 248123962 LBXHERFXUOYOOQ-APWZRJJASA-N 349.475 1.757 0 40 EDAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)N4CCOCC4)[C@H]32)Oc2ccccc21 248071421 YFOIXAIPVSGPGZ-DOEAQHAXSA-N 327.380 1.905 0 40 EDAB Cc1ccc(N2CC3(C[C@@H](OCC4CCOCC4)CCO3)C2)nn1 247940847 UNVRHUQTOSTIRY-INIZCTEOSA-N 333.432 1.966 0 40 EDAB CN(c1ncccn1)[C@@H]1CO[C@@]2(CCCN(CC3CCOCC3)C2)C1 248079196 UWONXTIFJWAIJZ-HKUYNNGSSA-N 346.475 1.963 0 40 EDAB O=C([C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1cccc(F)c1)N1CCOCC1 247873637 MUDYBZRKZPQGMN-IKGGRYGDSA-N 346.402 1.779 0 40 EDAB O=C(Nc1cccc(Br)c1F)[C@H]1CCS(=O)(=O)C1 585114400 RYXLGCFHMJAZJO-ZETCQYMHSA-N 336.182 1.961 0 40 EDAB NC(=O)[C@@H]1CCN(Cc2ccc(I)s2)C1 585117181 TWNBNQKTYHYFOW-SSDOTTSWSA-N 336.198 1.660 0 40 EDAB O=C(CC1(O)CCCCC1)NC[C@@]1(O)CCN(c2ccccn2)C1 257312335 UNLJJXDEOUXQAP-SFHVURJKSA-N 333.432 1.224 0 40 EDAB Cc1nc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3C)CC2)co1 257301510 RYTWKQGORBZJNA-HOCLYGCPSA-N 331.372 1.731 0 40 EDAB O=C1NCCC[C@@H]1NC(=O)C1(Cc2ccccc2F)CCOCC1 257326376 WWZLHSIRHPOYRD-HNNXBMFYSA-N 334.391 1.560 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](Cc2cnc(N)cn2)CC1 257229310 FXOXWDKYBURHPR-CYBMUJFWSA-N 328.420 1.586 0 40 EDAB O=S(=O)(C1CCCC1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257214628 CMRMVRKVAGJTSW-VHDGCEQUSA-N 336.461 1.871 0 40 EDAB Cc1ccsc1CN1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 257229552 FYMXRZPHSHTDOX-GJZGRUSLSA-N 336.457 1.647 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N3CC(n4ccnn4)C3)CC2=O)cc1C 253471076 AYXUKFZSZJQMIQ-AWEZNQCLSA-N 339.399 1.331 0 40 EDAB CC(C)c1ncc(C(=O)N2CCOC[C@H](Cc3cnccn3)C2)cn1 257217629 CZVKYTGWLSIYGG-CQSZACIVSA-N 341.415 1.721 0 40 EDAB CNC(=O)c1cnn2c([C@H]3CCN(Cc4cscn4)C3)ccnc12 257233816 GQVULDWAPAEHDK-NSHDSACASA-N 342.428 1.535 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1CCC[C@@H](Cc2nccnc2N)C1 257336026 YMVGOQURHUFNFC-AWEZNQCLSA-N 342.447 1.515 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)Cc2ccsc2)C1 257210019 BSUKJZSRRYFPPH-LLVKDONJSA-N 339.442 1.433 0 40 EDAB COc1cc(C(=O)O)ccc1CCNC(=O)c1cnc(C)nc1C 263371190 YGOGECPFRZOYPC-UHFFFAOYSA-N 329.356 1.773 0 40 EDAB Cc1csc(CNC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c1 1615589557 YYFNULCJOIWGEE-BMIGLBTASA-N 336.417 1.234 0 40 EDAB CN(C)C[C@@]1(O)CCCN(C(=O)c2ccnc(C3CCCC3)n2)C1 1615558104 HQAZXEMDVOOFHV-SFHVURJKSA-N 332.448 1.663 0 40 EDAB COC[C@H]1CC[C@H]1NC(=O)c1ccccc1S(=O)(=O)N(C)C 1615627007 MLMMEINXWGKDJD-DGCLKSJQSA-N 326.418 1.092 0 40 EDAB CCc1ccccc1S(=O)(=O)Nc1c(C(=O)OC)nn(C)c1C 1615615174 UXQAUBQAYUBHDE-UHFFFAOYSA-N 337.401 1.878 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 600180213 JXAQEDYMOWDJHR-GFCCVEGCSA-N 340.449 1.144 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 575405674 UACZTOCICWKQGM-SNVBAGLBSA-N 332.422 1.509 0 40 EDAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(C(=O)[C@H]2CCOC2)C3)c1 575403922 IYRDLEBQAALIKJ-IRXDYDNUSA-N 346.427 1.703 0 40 EDAB c1cc2n(n1)CC[C@@H](CN1CCOCC1)N(CC1CCOCC1)C2 585097178 IGFBVMQKTOPYPW-KRWDZBQOSA-N 334.464 1.216 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 585276037 LIRSYHCTBLDTMD-QGZVFWFLSA-N 331.347 1.062 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)Cc1cc(C)no1 585288349 WRXBYSHLTKBAOC-KBXCAEBGSA-N 349.431 1.590 0 40 EDAB CN(C)C(=O)COCC[C@H]1CN(c2ncccn2)Cc2cccn2C1 585095570 XUJAYACQLFVYLJ-OAHLLOKOSA-N 343.431 1.409 0 40 EDAB O=C(c1ccnc(F)c1)N1CC[C@H]2C[C@H](C(=O)N3CCCC3)O[C@@H]2C1 585108974 JGDYGPLZPYAHBW-NWANDNLSSA-N 347.390 1.463 0 40 EDAB COC[C@@H](NS(=O)(=O)c1cnn(C)c1)c1cccc(OC)c1 585091960 UXKFKGOQFFDUCB-CQSZACIVSA-N 325.390 1.095 0 40 EDAB Cc1ccc(OC[C@@]2(O)CCN(CC(=O)Nc3ccccn3)C2)cc1 585276592 NOZMIQYZZBONND-LJQANCHMSA-N 341.411 1.844 0 40 EDAB CC(C)[C@H](C(=O)N1CC[C@@H](C(N)=O)C1)N1CCc2ccccc2C1 71839337 CPAOGIQNWDHBJV-IAGOWNOFSA-N 329.444 1.403 0 40 EDAB Cc1cc(C[C@@H]2COCCN(C(=O)c3cccc(C)n3)C2)ncn1 72388330 VOMAKDNATVKELY-HNNXBMFYSA-N 326.400 1.820 0 40 EDAB CCc1ccccc1N1C[C@@H](C(=O)NCCn2ccnc2)CC1=O 43946683 TXNSJCVARUTJGB-HNNXBMFYSA-N 326.400 1.615 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)n1 56071843 RDRFQRSQOOWKCW-MELADBBJSA-N 342.509 1.948 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCc1ccc(F)cc1 55024725 IFOGGGQOXDRFSD-HIFRSBDPSA-N 335.423 1.412 0 40 EDAB CCc1cnc(OC2CCN(c3cc(C)nc4ncnn34)CC2)nc1 1776001651 FAGPHQMNQNJTRF-UHFFFAOYSA-N 339.403 1.833 0 40 EDAB CN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3noc(C4CC4)n3)C2)C1=O 76058914 RMUVSJXGJHRBNO-ZBEGNZNMSA-N 333.392 1.099 0 40 EDAB Cc1oc(CN(C)C(=O)Cn2nnc3ccccc32)cc1C(=O)O 89536616 GVDOKAFJVTYRJP-UHFFFAOYSA-N 328.328 1.690 0 40 EDAB CC1CCN(C[C@H](O)CNc2ccccc2S(C)(=O)=O)CC1 84699893 MRLREOXLKNAEOX-CQSZACIVSA-N 326.462 1.595 0 40 EDAB CC(C)c1ncc(S(=O)(=O)Nc2ccc3oc(=O)n(C)c3c2)[nH]1 84622396 KRKLRZUPWYAXOE-UHFFFAOYSA-N 336.373 1.779 0 40 EDAB CCCC(=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 5781674 NJJNAEMZQBLYRV-BQQXIIOZSA-N 330.377 1.726 0 40 EDAB COCCn1c(=O)n(CC(=O)NCc2ccccc2)c2cccnc21 12222538 WZTVPIDCMHLAKU-UHFFFAOYSA-N 340.383 1.161 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NCCN1CC[C@H](c2ccccc2)C1 12239691 VPEOJANMJWWDDT-INIZCTEOSA-N 348.472 1.496 0 40 EDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1cccc2ncccc12 12389692 AOQBPTFUYPBQFR-UHFFFAOYSA-N 348.366 1.846 0 40 EDAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CCS(=O)(=O)C1 15335159 OVZSFTONBWQGCO-DOMZBBRYSA-N 333.409 1.910 0 40 EDAB Cc1nnnn1-c1ccc(CC(=O)NCCN2CCC(C)CC2)cc1 19288450 NZLPZKLWDLLJQT-UHFFFAOYSA-N 342.447 1.361 0 40 EDAB O=C(O)CNC(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 2713748 NHHPZRHRQPECBW-YHYXMXQVSA-N 338.316 1.063 0 40 EDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)C1(c2ccccc2F)CC1 643586174 CLDOOLBFLDKPTJ-WQVCFCJDSA-N 337.391 1.074 0 40 EDAB Nc1c(C(=O)O)cnn1-c1ccc(I)cc1 15021056 LQKIUOGHFVHQPX-UHFFFAOYSA-N 329.097 1.757 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)Cc4ccsc4)CC3)ncnc21 23462313 YCXQOZNZIAHINI-UHFFFAOYSA-N 342.428 1.316 0 40 EDAB Cc1noc(-c2ccn3c(CNC(=O)c4cccn4C)nnc3c2)n1 238881767 PKFCNQCFCMYDSX-UHFFFAOYSA-N 337.343 1.356 0 40 EDAB Cn1cc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)cn1 2037905558 FQCCQKOJELINME-GOSISDBHSA-N 347.390 1.995 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1 5221806 NIGNMEVIQXYUNM-ZDUSSCGKSA-N 346.408 1.779 0 40 EDAB C[C@@H](O)CN[C@H](CC(=O)Nc1c(Cl)cccc1Cl)C(=O)O 5258292 BIIAVDUTJUQMEI-GMSGAONNSA-N 335.187 1.746 0 40 EDAB O=c1cccnn1CCNS(=O)(=O)c1cc(Cl)ccc1Cl 11856359 GKJZKMQMBMOPQN-UHFFFAOYSA-N 348.211 1.529 0 40 EDAB O=C(N[C@@H]1CCc2onc(CN3CCOCC3)c2C1)c1ccncc1 2055734557 IXNGPWUZDGBDQQ-CQSZACIVSA-N 342.399 1.189 0 40 EDAB CC[C@H](C)CNC(=O)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055713849 RNRDNDSGSUIZTK-JSGCOSHPSA-N 332.448 1.748 0 40 EDAB O=C(/C=C/c1cccs1)N1CC[C@]2(C[C@H](n3cnnc3)CO2)C1 2055839587 VMTGEEKNSMWRGE-GJZCMGGKSA-N 330.413 1.986 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CC(N2C(=O)CSC2=O)C1 206954935 RRBXWNLDECSEGF-UHFFFAOYSA-N 328.353 1.150 0 40 EDAB COc1ccccc1CC(=O)NCc1nccnc1-c1cnn(C)c1 575619045 GCBYFYQAJNURJM-UHFFFAOYSA-N 337.383 1.745 0 40 EDAB NC(=O)c1ccccc1NC(=O)C[C@H]1CSc2nccc(=O)n21 14031359 QWXKRVVCUNXQIT-VIFPVBQESA-N 330.369 1.018 0 40 EDAB O=S(=O)(c1c(F)cccc1F)N1CCN(C[C@@H](O)C2CC2)CC1 85467087 IGASNPUSWMBPBX-CQSZACIVSA-N 346.399 1.042 0 40 EDAB Cc1noc(-c2cccnc2N2CCN(C[C@@H]3CCCO3)CC2)n1 96453210 BXEIYMZQLBHGFT-AWEZNQCLSA-N 329.404 1.741 0 40 EDAB O=C(NCc1cccnc1OCC(F)(F)F)c1ccc(O)nn1 30001779 OZBKZRLAJUTJGK-UHFFFAOYSA-N 328.250 1.448 0 40 EDAB Cc1ccc(-c2nnc(CN3C(=O)C(=O)N(C(C)C)C3=O)o2)cc1 31612117 JJGZEULQGKCNSU-UHFFFAOYSA-N 328.328 1.744 0 40 EDAB O=C(NCCCN1CCCC1=O)[C@@H]1CC(=O)N(c2ccccc2)C1 40511890 CSOKIQUZUVKVMC-CQSZACIVSA-N 329.400 1.168 0 40 EDAB CC(=O)Nc1ccc(OCc2noc(C(=O)NCC(C)C)n2)cc1 20737774 SKPLNPPWWRTAIL-UHFFFAOYSA-N 332.360 1.993 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc2cnccc12 21217161 GKQGWGMBNSZXKJ-UHFFFAOYSA-N 346.346 1.877 0 40 EDAB Cn1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)n1 32784285 WGMCDBAXNZXXJU-UHFFFAOYSA-N 339.355 1.308 0 40 EDAB COc1ccc(OCCNC(=O)c2ccccc2S(C)(=O)=O)cc1 32772427 UQNCLMCYNFVJNY-UHFFFAOYSA-N 349.408 1.908 0 40 EDAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCC[C@H]1CCCO1 32977073 MYAOARNGFJRJEE-GFCCVEGCSA-N 341.367 1.828 0 40 EDAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 33023585 FPYOOEPLIXKVKL-UHFFFAOYSA-N 326.418 1.236 0 40 EDAB Cc1cccc(NC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 103031020 PYHXNQKHAPMCCM-WMHQRMGPSA-N 339.395 1.924 0 40 EDAB aggregator Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccn1 525711 BUSLSVFOOIOMEX-UHFFFAOYSA-N 344.375 1.924 0 40 EDAB O=C(NC[C@H]1CCCO1)c1ccc(C(=O)NC[C@H]2CCCO2)cc1 320975 RGUYKULSLJAZCE-HZPDHXFCSA-N 332.400 1.504 0 40 EDAB CC1CCN(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 46956621 GWVKNDQMHKXGAY-SFHVURJKSA-N 343.471 1.883 0 40 EDAB O=C1C[C@@H](SC(=S)N2CCOCC2)C(=O)N1c1ccccc1 1098112 PKRKHUUFKZDSFM-GFCCVEGCSA-N 336.438 1.669 0 40 EDAB CCc1cnc(CN(C)[C@@H]2CCN(Cc3nnc(C4CC4)n3C)C2)o1 78891847 LCOSUKMZDUQIHW-CQSZACIVSA-N 344.463 1.949 0 40 EDAB CC(C)OC[C@H](O)CN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 79105586 DYTGVPSWDBVCCW-GXTWGEPZSA-N 330.450 1.113 0 40 EDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)COc2ccccc2)C1 2106191 NBALYZNRIXPTQB-GVDBMIGSSA-N 340.423 1.707 0 40 EDAB biogenic C[C@@H](Sc1nccn1C)C(=O)NC[C@H]1COc2ccccc2O1 22767085 QCMGJWYDQXTMTF-NEPJUHHUSA-N 333.413 1.857 0 40 EDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 54016738 AAGBXHHHXBPWJO-QWHCGFSZSA-N 349.435 1.475 0 40 EDAB CC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813804 UCGKVFVIWNHTEB-UHFFFAOYSA-N 346.836 1.499 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 61717576 ZRJXKJGMFVPFCH-UHFFFAOYSA-N 336.373 1.283 0 40 EDAB CCOc1ccc(CN(C)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1 23640505 BIDYOORQJLDOOO-UHFFFAOYSA-N 333.388 1.674 0 40 EDAB O=S(=O)(C[C@H]1CCOC1)NC1CCN(Cc2ccccc2)CC1 106447503 LVBYAHXRLKYLBX-INIZCTEOSA-N 338.473 1.607 0 40 EDAB O=C(NC(=S)N1CCN(c2ccc(O)cc2)CC1)c1ccco1 3265109 ZTISWAIKSWPXBG-UHFFFAOYSA-N 331.397 1.822 0 40 EDAB CSCC[C@H]1NC(=S)N(Cc2ccc(-n3ccnc3)nc2)C1=O 58393512 QCJIKRXWQWQFMO-GFCCVEGCSA-N 347.469 1.606 0 40 EDAB Cn1c(=O)n(CC(F)(F)F)c(=O)c2ccc(C(F)(F)F)nc21 26131883 NKHFFRXXNNVFMN-UHFFFAOYSA-N 327.184 1.676 0 40 EDAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)CCn2cncn2)cc1 48273136 FSAQXJARTFRMDD-KRWDZBQOSA-N 343.431 1.166 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(Cc2ccsc2)CC1 48277399 FGMVOFXZXLRIIZ-CYBMUJFWSA-N 347.440 1.804 0 40 EDAB COc1cccc(CNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 103066407 HFIBIGZFUCTNOZ-GJZGRUSLSA-N 328.368 1.263 0 40 EDAB COCCN1CCCC2(CCN(C(=O)c3cc(C)n[nH]3)CC2)C1=O 108535690 WVIBNRQMRLOBRS-UHFFFAOYSA-N 334.420 1.209 0 40 EDAB COc1cc([C@@H]2[C@H](C(C)=O)[C@@](C)(O)CC(=O)[C@H]2C(C)=O)ccc1O 36030331 NKAAALBAEMIJHC-OWSLCNJRSA-N 334.368 1.619 0 40 EDAB NC(=O)NCCCC(=O)OCC(=O)c1ccc(Br)s1 3363782 LFZRVZHFTYTEOF-UHFFFAOYSA-N 349.206 1.685 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 44952163 QVTKXFIWBRBHFG-LBPRGKRZSA-N 343.387 1.364 0 40 EDAB O=C(NCc1ccc(-n2cncn2)nc1)c1cc2ccccc2oc1=O 44939111 OTLXDEGMBPSDMX-UHFFFAOYSA-N 347.334 1.699 0 40 EDAB NC(=O)CN1CCCN(C(=O)C2(Cc3ccccc3)CCC2)CC1 95411726 RHFFXHZTFXMVGN-UHFFFAOYSA-N 329.444 1.419 0 40 EDAB COc1c(Cl)cc(Cl)cc1CNCCNS(C)(=O)=O 51188330 HDWCKZXMBSKLGG-UHFFFAOYSA-N 327.233 1.641 0 40 EDAB COC(=O)c1ccc(CN2C(=O)c3ccccc3CS2(=O)=O)cc1 58304847 LUGNAFFSTDQIIU-UHFFFAOYSA-N 345.376 1.959 0 40 EDAB COc1ccccc1C[C@@H]1CCCN1S(=O)(=O)N1CCOCC1 58507983 MXPXPJYCDJLLCZ-HNNXBMFYSA-N 340.445 1.279 0 40 EDAB COc1ccc(OC)c(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 2463048 HJGQTCIBAYVXTP-ZYHUDNBSSA-N 328.415 1.384 0 40 EDAB C[C@](O)(CNC(=O)[C@H]1CCCN1C(=O)c1ccco1)C(F)(F)F 95445080 DUCLFNIIDDLMND-RNCFNFMXSA-N 334.294 1.314 0 40 EDAB O=C(COC(=O)c1cncc(Br)c1)NCC(F)(F)F 3488631 JGEAKXYEBVOEDT-UHFFFAOYSA-N 341.083 1.679 0 40 EDAB CC(C)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 2631410 VVPIUZIRQPBKLW-UHFFFAOYSA-N 344.408 1.232 0 40 EDAB COc1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 2645723 XEPSGRMXZCHJEJ-UHFFFAOYSA-N 345.399 1.566 0 40 EDAB Cc1nc2c(cc1C(=O)NC[C@@H](C)N1CCOCC1)c(C)nn2C 29964250 JLDADVZQBGIRKV-LLVKDONJSA-N 331.420 1.036 0 40 EDAB O=S(=O)(NCCCOCC1CC1)c1ccc2c(c1)OCCCO2 13022855 QPWTVQJJQHQVEY-UHFFFAOYSA-N 341.429 1.943 0 40 EDAB COc1ccc(NC(=O)CCN2C(=O)c3ccncc3C2=O)cn1 95477063 YIQNGPCRQWFJES-UHFFFAOYSA-N 326.312 1.110 0 40 EDAB Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1CCc1c[nH]cn1 13174096 ZQLZHUWSRGAEGQ-UHFFFAOYSA-N 335.367 1.755 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2cnn(C)c2C)c1 13297179 PTWPQDTUGZFVIA-UHFFFAOYSA-N 345.355 1.619 0 40 EDAB C[C@H](C(=O)N(C[C@@H]1CN(C)CCO1)c1nccs1)n1cccn1 95402116 XQWNCVHYTZUIJU-OLZOCXBDSA-N 335.433 1.264 0 40 EDAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCCC2)c1 6046145 FZXACDJFYNZVBL-UHFFFAOYSA-N 345.852 1.625 0 40 EDAB CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 5034804 MFAQSPBAWWTZIW-UHFFFAOYSA-N 348.336 1.644 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCN(c2cnccn2)CC1 65390710 SRHYUECPEWDBIY-UHFFFAOYSA-N 326.356 1.210 0 40 EDAB O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1n[nH]c2c1CCC2 96006296 VNAIPTJEHHQHDB-HNNXBMFYSA-N 340.427 1.395 0 40 EDAB CCc1ccc2nc(NC(=O)CCn3[nH]c(=O)ccc3=O)sc2c1 5267049 FTQCOWIGURIHTN-UHFFFAOYSA-N 344.396 1.738 0 40 EDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 65403875 HHTZSIJWPAKFFE-LLVKDONJSA-N 325.359 1.386 0 40 EDAB CC(=O)N1CCC(NC(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 65415717 BKNZKNNOYLGGGL-MRXNPFEDSA-N 348.447 1.727 0 40 EDAB CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1 65552060 NNRCHNOGNGBCEI-CYBMUJFWSA-N 328.459 1.617 0 40 EDAB Cc1ccccc1CC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 66485686 XTLFKYALVOCFOX-KRWDZBQOSA-N 330.428 1.777 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)CN2CCCc3ccccc32)c1 6867226 UQZBHMCKWKZTQV-UHFFFAOYSA-N 345.424 1.725 0 40 EDAB CCN1C[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1=O 67361425 DEHMSOXCFCRHSP-MSOLQXFVSA-N 343.471 1.883 0 40 EDAB Cc1ccc(F)c(N2CCC[C@@H](NC(=O)CCS(C)(=O)=O)C2)c1 96409299 GIFATONFFYQXAX-CYBMUJFWSA-N 342.436 1.654 0 40 EDAB O=S(=O)(NCCc1c[nH]c2cc(F)ccc12)N1CCOCC1 96453001 VJDULOIAXRJAHY-UHFFFAOYSA-N 327.381 1.016 0 40 EDAB O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)NCCO 9575301 BMQRVBZPXVSLKO-UHFFFAOYSA-N 339.351 1.333 0 40 EDAB COC(=O)c1ccc(NC(=O)CSc2nnnn2C2CC2)cc1 16374531 ZSZZLAGVZHMDFN-UHFFFAOYSA-N 333.373 1.525 0 40 EDAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCNC(=O)CC3)c2C)cc1 71839600 XCVSOCJGXXNROG-UHFFFAOYSA-N 340.427 1.819 0 40 EDAB CCc1cnc(CNC(=O)Cn2c(=O)cnc3ccccc32)s1 81206286 MQCTUELVJQGCMX-UHFFFAOYSA-N 328.397 1.732 0 40 EDAB CCn1nnnc1S[C@H](C)C(=O)NCCc1ccc(OC)cc1 16461314 KJIWEJKYSUZCEO-LLVKDONJSA-N 335.433 1.541 0 40 EDAB O=C(N[C@H]1CCc2ccccc21)C1=CN2CCS(=O)(=O)N=C2C=C1 16472251 VTRUZGQARBYMCC-HNNXBMFYSA-N 343.408 1.288 0 40 EDAB C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC(Nc2cccnn2)CC1 83888555 ZCERXPPVFGWGCA-LBPRGKRZSA-N 333.436 1.430 0 40 EDAB COCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(SC)cc2)C1 71920358 KWEGSAYICYRNAU-CYBMUJFWSA-N 337.445 1.184 0 40 EDAB Cn1ccnc1CCNC(=O)[C@H](c1ccccc1)N1CCSCC1 69348844 WMLLDDUGOUOBAU-KRWDZBQOSA-N 344.484 1.869 0 40 EDAB NC(=O)CCn1ccc(NC(=O)c2ccc(OCC3CC3)cc2)n1 71910444 RIYOCIBIOLBAIS-UHFFFAOYSA-N 328.372 1.800 0 40 EDAB CC(C)[C@H](C(=O)NCCS(=O)(=O)c1ccccc1)N1CCCC1 69444005 BQLRZDOHIWIPPX-MRXNPFEDSA-N 338.473 1.697 0 40 EDAB Cc1cnn(C[C@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)c1 69455585 OIWGYCZBIFKXCD-CVEARBPZSA-N 332.379 1.258 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C 69417462 TVUVXMXFHRUVKX-JQWIXIFHSA-N 342.465 1.105 0 40 EDAB CC(C)CCS(=O)(=O)N1CCN(C[C@H]2CCCCN2C)CC1 69597318 WSLOGLTZOQXMGO-MRXNPFEDSA-N 331.526 1.464 0 40 EDAB COc1ccc(NC(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 69530856 TVKZJDFLALXNMQ-UHFFFAOYSA-N 345.403 1.868 0 40 EDAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CNC[C@H]1CN(C)CCO1 69569182 AIQGLWQYBODMAW-YPMHNXCESA-N 337.386 1.096 0 40 EDAB CCN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 69737812 UFDJDIRQSITSHU-UAGQMJEPSA-N 329.444 1.949 0 40 EDAB O=C(CC(F)(F)F)N1CCN(CC[S@@](=O)c2ccccc2)CC1 69779395 PXVIOYJRONBCBZ-QHCPKHFHSA-N 348.390 1.891 0 40 EDAB Cc1c([C@H](C)NC(=O)Nc2cc(C(N)=O)ccc2N(C)C)cnn1C 69742916 LASDRRFYARLQNT-JTQLQIEISA-N 344.419 1.776 0 40 EDAB CC(C)CC(=O)N[C@H](C(=O)NC[C@H](O)Cc1ccccc1)C(C)C 69810018 WXJHUEJWYXLMPH-AEFFLSMTSA-N 334.460 1.893 0 40 EDAB COC(=O)c1cc(CN2CCN(C[C@@H]3CCOC3)CC2)c(C)s1 89140117 ALQVQLTZRUZQRX-AWEZNQCLSA-N 338.473 1.997 0 40 EDAB Cc1cc(=O)[nH]c([C@@H](C)N2CCC(CC(=O)N3CCCC3)CC2)n1 84114317 ZOGRTNBIKORBSU-CQSZACIVSA-N 332.448 1.864 0 40 EDAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)N1CCN2CCC[C@@H]2C1 72290846 LCJUUMPCYMWWSJ-OAHLLOKOSA-N 343.880 1.797 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)NCc1cccc(N2CCCCC2=O)c1 72270168 VPOJMKHSRRQLPG-ZDUSSCGKSA-N 344.415 1.233 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 72280847 OQLIKKSUAMQGIF-KWQFWETISA-N 347.341 1.252 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCCCN1Cc1cccnc1 72277912 GOXGJVMPLTZNPB-IAGOWNOFSA-N 339.443 1.764 0 40 EDAB CN(C[C@H]1CN(CCOc2ccccc2)CCO1)c1cccnn1 89340294 CZTLZMGOVQUHBM-KRWDZBQOSA-N 328.416 1.693 0 40 EDAB Cc1ccsc1-c1nnc(NC(=O)CSc2n[nH]c(N)n2)o1 84257592 HYSWAWPOICHDQX-UHFFFAOYSA-N 337.390 1.538 0 40 EDAB O=C(O)C1(Oc2ccccc2)CCN(c2ncnc3[nH]cnc23)CC1 72431175 GVVBQQXMMCEBHU-UHFFFAOYSA-N 339.355 1.856 0 40 EDAB CC(=O)c1cccc(NC(=O)N[C@@H](CC(N)=O)C2CCOCC2)c1 75110597 AUBNEQNLARZUDG-HNNXBMFYSA-N 333.388 1.681 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)NC[C@H](c1cccs1)N(C)C 89885226 KYVURYOUWYVDGF-GFCCVEGCSA-N 326.466 1.517 0 40 EDAB CC(=O)Nc1nc(C(=O)Nc2cccnc2-n2cccn2)cs1 25012332 NHXJWSXVRYOHTJ-UHFFFAOYSA-N 328.357 1.935 0 40 EDAB C[C@@H]1CN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@@H](C)O1 21928613 FAARHFWONFZYCA-CHWSQXEVSA-N 331.416 1.860 0 40 EDAB O=C(NCCc1ccccn1)c1c(-n2cnnn2)sc2c1CCC2 524733676 DDBKKFIMSREVBM-UHFFFAOYSA-N 340.412 1.580 0 40 EDAB CC(C)c1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1Cl 189404503 QQPWHGRIYBABKO-CQSZACIVSA-N 340.851 1.886 0 40 EDAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)[C@@H](C)n1cnnn1 1565519066 KZZSHLZWHFXGIB-BMIGLBTASA-N 340.387 1.918 0 40 EDAB Cc1cc(OC2CN(S(=O)(=O)c3cccs3)C2)cc(=O)n1C 217757097 WIBGGDVRAGSBFN-UHFFFAOYSA-N 340.426 1.207 0 40 EDAB Cc1ccc(-c2csc(NC(=O)C[C@@H](NCCO)C(=O)O)n2)cc1 72439258 UKWJCLAHISMVOC-GFCCVEGCSA-N 349.412 1.482 0 40 EDAB CCOC(=O)[C@H]1CCCN1CC(=O)N[C@@H]1CCOc2ccccc21 182251643 NNEHAJVYECKSTI-HUUCEWRRSA-N 332.400 1.654 0 40 EDAB Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2S(C)(=O)=O)n1 72360234 FBHQJGIHHGZVHQ-GFCCVEGCSA-N 334.405 1.415 0 40 EDAB Cn1nnc2cc(C(=O)Nc3ccnn3-c3cccc(F)c3)cnc21 183914502 NXEWCIKMUMTFTD-UHFFFAOYSA-N 337.318 1.940 0 40 EDAB COc1ccc(CNC(=O)c2cc(NC(=O)C(C)C)n(C)n2)cc1 46089069 AZSJJOZUTBVLIM-UHFFFAOYSA-N 330.388 1.953 0 40 EDAB Cc1cccc(OCc2cn(CC(=O)N3C[C@H](C)O[C@H](C)C3)nn2)c1 227160567 XSKPWJVQVNJKBT-GASCZTMLSA-N 344.415 1.801 0 40 EDAB Cn1cc(N2CCC[C@@H](NC(=O)N3CCSC(C)(C)C3)C2)cn1 83734977 RTXLGGQRJNYSEM-CYBMUJFWSA-N 337.493 1.926 0 40 EDAB O=C(COc1ccccc1F)N1CCN(CCn2ccnc2)CC1 75158012 IXMYSXGAJUZGAH-UHFFFAOYSA-N 332.379 1.245 0 40 EDAB O=C([C@H](CNC(=O)C(F)(F)Cl)c1ccccc1)N1CCOCC1 195570571 NHWVJDWSJGDURJ-GFCCVEGCSA-N 346.761 1.577 0 40 EDAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccncc3)ccc21 225688932 FFAIXRCHHZTJCT-UHFFFAOYSA-N 349.437 1.956 0 40 EDAB O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1C[C@@H](O)C1CCCCC1 191357544 CNXPJTVGASXVEK-KGLIPLIRSA-N 326.368 1.399 0 40 EDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)NC[C@@H]1COc3ccccc3O1)C2 225522468 HIAFUIPIJSFMKK-CHWSQXEVSA-N 327.384 1.779 0 40 EDAB CN(C)CCN1C(=O)CC[C@@]12CCCN(C(=O)c1cccnc1)CC2 96217733 YLHAIUKNHROLII-LJQANCHMSA-N 344.459 1.631 0 40 EDAB Cc1ccc([C@@H]2CC(c3ccco3)=NN2C(=O)CNCCO)cc1 95116099 XLWVNKWJGPFRIP-INIZCTEOSA-N 327.384 1.848 0 40 EDAB Cc1cccc(S(=O)(=O)N2Cc3ncn(C)c3[C@@H](C(=O)O)C2)c1 96196744 NZQUTNIRYWSUEC-LBPRGKRZSA-N 335.385 1.101 0 40 EDAB CC(C)(CC(N)=O)NC(=O)c1nc(Br)sc1Cl 585089341 GGZRWFSXYZPSFP-UHFFFAOYSA-N 340.630 1.943 0 40 EDAB Cn1nnnc1COc1ccc(CC(=O)N2CCCCCC2)cc1 96191976 ZYCZEPNRSFOCHX-UHFFFAOYSA-N 329.404 1.734 0 40 EDAB COCCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccnnc1)C2 96229874 PZAIDBITHBDBKU-KRWDZBQOSA-N 332.404 1.110 0 40 EDAB CCc1nn(C)c2[nH]nc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)c12 96406459 FVBXFLGWSWGSDM-SNVBAGLBSA-N 338.371 1.923 0 40 EDAB CCN(CC)C(=O)CN1CCN(Cc2nc3c(F)cccc3[nH]2)CC1 96414800 CIIXFAAWTIBEDY-UHFFFAOYSA-N 347.438 1.688 0 40 EDAB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnc[nH]1 96441185 MNFHLCPVXNKGFI-UHFFFAOYSA-N 329.404 1.813 0 40 EDAB O=C(Nc1ccccc1)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCOCC2)C1 96253231 AOTGJQBTSRWKLP-OWCLPIDISA-N 345.399 1.167 0 40 EDAB Cc1cc(OC[C@@H]2CO[C@@H]3CN(Cc4ncc[nH]4)C[C@H]23)cc(C)n1 96219550 XCCNTSHBGZCCPA-DJIMGWMZSA-N 328.416 1.947 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CN(Cc3ccsc3)[C@@H]3CCCO[C@H]23)cn1 96056340 BQHAUMGMAZWSNP-BZUAXINKSA-N 346.456 1.643 0 40 EDAB c1cncc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN2CCCC2)c1 96057935 IXMCBBOMYPTNTP-IPMKNSEASA-N 331.460 1.926 0 40 EDAB CCN1CCN(C(=O)NCC[C@H]2CCCO2)C[C@@H]1c1nccn1C 583623976 YHZZFRKRUKPNKJ-HUUCEWRRSA-N 335.452 1.377 0 40 EDAB CC(=O)N1C[C@H](NC(=O)CCc2cnn(C)c2)CC[C@@H]1C(F)(F)F 583618396 TWSVSYVKKXGISI-CHWSQXEVSA-N 346.353 1.411 0 40 EDAB CCc1nnc(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)n1C 583621471 QFGUFKMCNPLOHM-QWHCGFSZSA-N 347.467 1.470 0 40 EDAB O=C(Nc1cnn(-c2ccccc2F)c1)N[C@@H]1CCc2ncnn2C1 97101197 REORXLZZKOFUJQ-LLVKDONJSA-N 341.350 1.739 0 40 EDAB CC(C)CCN1C[C@@H]2[C@H](C1)c1nc(N(C)C)ncc1CS2(=O)=O 96251910 VWZKZSFUQBUYOG-UONOGXRCSA-N 338.477 1.285 0 40 EDAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc(OC)cc1 96186247 NWRWOMCFIYJNBX-HZPDHXFCSA-N 332.400 1.547 0 40 EDAB Cc1cccc(CN2CC[C@]3(CCCN(C(=O)N(C)C)C3)C2=O)n1 96048832 LSJOWPFGCUMYIG-SFHVURJKSA-N 330.432 1.886 0 40 EDAB Cc1cc(CN2Cc3ccnn3[C@@H](CC(=O)NCC3CC3)C2)no1 247946233 WMJVOEQPQYKAOH-INIZCTEOSA-N 329.404 1.653 0 40 EDAB CCCNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 242645105 CQGKKYRKOKTZMP-UHFFFAOYSA-N 334.825 1.641 0 40 EDAB Cn1cncc1CC(=O)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 585125821 GRAVACNCCIETQH-ZWKOTPCHSA-N 327.428 1.947 0 40 EDAB Cc1cc(NS(=O)(=O)c2cnc3onc(C4CC4)c3c2)n(C)n1 585129744 UQSNIHCRGHYNEM-UHFFFAOYSA-N 333.373 1.943 0 40 EDAB O=S(=O)(NCC1(CO)COC1)c1csnc1-c1ccccc1 585115150 OJGMGOTZORDJLH-UHFFFAOYSA-N 340.426 1.097 0 40 EDAB CC(C)OC(=O)[C@H](C)CNC(=O)c1cc(=O)c2ccccc2n1C 585130896 FSKUPQXKFSIBFW-GFCCVEGCSA-N 330.384 1.856 0 40 EDAB CO[C@@H](C)[C@H](C)NC(=O)c1cnn2c(-c3cccnc3)ccnc12 585132173 PYPQJANAYKHAEQ-RYUDHWBXSA-N 325.372 1.945 0 40 EDAB COC(=O)C[C@@H]1CCCN1C(=O)C1CCC(N2CCOCC2)CC1 585129579 OOLIDWLXZCANGW-GPANFISMSA-N 338.448 1.432 0 40 EDAB CCO[C@@H]1CCOC2(C1)CN(Cc1ccc(S(C)(=O)=O)cc1)C2 248380315 PSFHYOIRBHHENZ-OAHLLOKOSA-N 339.457 1.860 0 40 EDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2cscn2)n1 257220990 DNCSCNVBVKJIAD-AWEZNQCLSA-N 331.401 1.547 0 40 EDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)Cn2cc(C)cn2)nc1 257240874 HVNHBHPOKTXSJO-QGZVFWFLSA-N 341.415 1.586 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)c1cc[nH]n1 257338770 YYXKDXXIXZUNAG-CQSZACIVSA-N 328.376 1.122 0 40 EDAB Cc1cc(OCC(=O)N[C@@H]2CCCC[C@@H](O)[C@@H]2O)ccc1Cl 257206447 BDLWDLPHBANOFZ-IIAWOOMASA-N 327.808 1.808 0 40 EDAB Cc1noc(C)c1C(=O)N(C)C[C@]1(O)CCCN(c2cnccn2)C1 257276673 NURHXLAUVKQBBN-QGZVFWFLSA-N 345.403 1.185 0 40 EDAB Cc1cccc(=O)n1C[C@@](C)(O)C(=O)Nc1cc(CC(C)(C)C)n[nH]1 280459490 SHIGSPCAYDRBEI-GOSISDBHSA-N 346.431 1.858 0 40 EDAB Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H](CO)c1ccnn1C 1614648358 LYIUUKMDQUBULP-ZETCQYMHSA-N 334.323 1.667 0 40 EDAB COc1cc(OC)c(NC(=O)N2CC(CO)(CO)C2)cc1Cl 1615057271 PYZXSGBUUPOVME-UHFFFAOYSA-N 330.768 1.176 0 40 EDAB Cn1ccnc1C[C@@H](NC(=O)C1(Cc2ccccc2)CCC1)C(=O)O 1615548436 DOADPZNXMQRBJP-OAHLLOKOSA-N 341.411 1.945 0 40 EDAB CN1CCn2nc(NC(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)cc2C1=O 1615549070 JGWDIBPUKWKNHV-OLZOCXBDSA-N 343.362 1.785 0 40 EDAB Cc1cccc(N2CCN(C(=O)c3ccc(-n4cncn4)nn3)CC2)c1 96097919 QCJRIFFQKUALDL-UHFFFAOYSA-N 349.398 1.328 0 40 EDAB CC(C)(C)OC(=O)CN1CC[C@H](n2cc(-c3ccncc3)nn2)C1=O 603257378 NICDEGCBWGHWIZ-AWEZNQCLSA-N 343.387 1.455 0 40 EDAB O=C(C1CC(O)C1)N1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@@H]21 585108260 IYUPKOMLFXYBMP-VLMYXLFRSA-N 346.427 1.375 0 40 EDAB CNc1cnc(C(=O)N2CC[C@](O)(COc3cccc(F)c3)C2)nc1 585277956 YGRVQIZEAMJFLB-QGZVFWFLSA-N 346.362 1.313 0 40 EDAB Cn1ccc(CCNC(=O)N2CCCN(c3ccccc3)CC2)n1 680630769 WHMPCDBKUAHIKQ-UHFFFAOYSA-N 327.432 1.885 0 40 EDAB Cc1nc(CN2CCN(C(=O)COc3ccccc3Cl)CC2)n[nH]1 72288529 NPSZJMPJPNAUMF-UHFFFAOYSA-N 349.822 1.490 0 40 EDAB COCCNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(C)=O)C2 72373390 CALUIZWOROUYHS-AWEZNQCLSA-N 347.463 1.249 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(-n2cccn2)nc1 44974370 RFHNPEFYBWHCAR-GFCCVEGCSA-N 339.355 1.295 0 40 EDAB CC(C)OCCN1CCN(c2ncc(Br)cn2)CC1 51794494 QFPNAAAIBBWEJE-UHFFFAOYSA-N 329.242 1.786 0 40 EDAB O=C(NCc1ccccc1CN1CCOCC1)N1CCC[C@@H](O)C1 53984966 MHHFSCVHUDPAEO-QGZVFWFLSA-N 333.432 1.185 0 40 EDAB NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 95395536 OVTDXYYBNUQRGX-JTQLQIEISA-N 338.307 1.088 0 40 EDAB C[C@H]1OCC[C@@H]1S(=O)(=O)N(CCN(C)C)Cc1cccc(F)c1 97166227 SCMOEVULZMVJKI-CJNGLKHVSA-N 344.452 1.697 0 40 EDAB Cc1nnc(C[S@@](=O)c2cc3c(cc2Cl)OCCO3)n1C 97164048 IGLLARNTDGURAM-NRFANRHFSA-N 327.793 1.856 0 40 EDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2ccc3c(c2)OCCO3)s1 5156171 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19792043 GQRFSLIKGMXUQY-UHFFFAOYSA-N 329.400 1.783 0 40 EDAB O=C(NCCCN1CCCC1=O)c1ccnc(O[C@@H]2CCSC2)c1 225719854 ZRSWCBLTGRTHRG-CQSZACIVSA-N 349.456 1.708 0 40 EDAB CCc1c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cnn1-c1ccccc1C 565861644 UGQALIQLLAGOIR-ROUUACIJSA-N 342.443 1.490 0 40 EDAB O=C(C1CC1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148507 OSNIBFLZNUQBLK-UHFFFAOYSA-N 333.310 1.214 0 40 EDAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)N1CCN(Cc2ccccn2)CC1 585149815 PKHDWVOCEUSQTF-HZPDHXFCSA-N 344.459 1.134 0 40 EDAB CN1C[C@@H](C(=O)N2CCC(Oc3ccncc3Cl)CC2)CC1=O 390826418 KQFAMBKMMBKQBJ-NSHDSACASA-N 337.807 1.583 0 40 EDAB O=C(CSc1nncs1)N1CCN(C(=O)c2ccco2)CC1 5101259 QYIWGXOKHAKYMI-UHFFFAOYSA-N 338.414 1.208 0 40 EDAB Cc1nnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)s1 1888898031 ORTPRNKDTZZWRT-UHFFFAOYSA-N 331.449 1.563 0 40 EDAB O=C(c1cncnc1)N1CC[C@@H]2C[C@]21C(=O)Nc1cccc(F)c1 2056224887 DCQCAPGYRZMPGX-SJKOYZFVSA-N 326.331 1.859 0 40 EDAB Cc1nc2ccccn2c1C(=O)N1CC[C@@H]2CN(C)CCO[C@@H]2C1 1565551795 KLBJTBWQOBWGOO-HUUCEWRRSA-N 328.416 1.435 0 40 EDAB O=C(c1cccs1)N1C[C@H]2OCCN(Cc3cccnc3)[C@@H]2C1 1565541975 IZJOZISVWODOES-HUUCEWRRSA-N 329.425 1.869 0 40 EDAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@H](Oc2ccncn2)C1 575610705 NNEXZBJNNCJBPQ-LBPRGKRZSA-N 339.804 1.972 0 40 EDAB CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1ccncc1 18266168 PXWSXSHHXVUQLD-LBPRGKRZSA-N 327.340 1.336 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1cccnc1 40090127 XLHSOYHHGOZMDE-TZMCWYRMSA-N 325.434 1.397 0 40 EDAB C[C@H]1CN(S(=O)(=O)N(C)CCOc2ccccc2F)C[C@@H](C)O1 40039940 IPXLWTRICWNMOG-BETUJISGSA-N 346.424 1.490 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1 30584143 LPDINMHWJQJPGN-ZDUSSCGKSA-N 330.837 1.884 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)c1ccc(Br)s1 40218533 KTXGKQOPSNWZLA-SECBINFHSA-N 333.251 1.961 0 40 EDAB Cn1ncc2c(N3CCN(Cc4cccc(F)c4F)CC3)ncnc21 40488141 JMSAUQJJFKORKH-UHFFFAOYSA-N 344.369 1.964 0 40 EDAB O=C(CCS(=O)(=O)C[C@@H]1CCCO1)NCc1ccccc1Cl 40498864 JVIWSLOCGSJODW-ZDUSSCGKSA-N 345.848 1.940 0 40 EDAB NC(=O)C1CCN(CCCNC(=O)C2=Cc3ccccc3OC2)CC1 40540992 QYOPKJGXJMVDAQ-UHFFFAOYSA-N 343.427 1.166 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N2CCc3sccc3C2)CC1 32883750 FAJOUUNVSHWGGA-UHFFFAOYSA-N 342.486 1.695 0 40 EDAB Nc1cc(N)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)n1 115798 LHLCNGUGZPNJLP-UHFFFAOYSA-N 345.428 1.406 0 40 EDAB COc1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 511554 XRILBQOCVGRSKP-UHFFFAOYSA-N 336.369 1.360 0 40 EDAB O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78788758 RXNXMCKZVXFNLE-TVFCKZIOSA-N 332.419 1.987 0 40 EDAB CN(C)CCn1ccc(NC(=O)N2CCN(c3ccccn3)CC2)n1 78875961 UKWLGMCICODILW-UHFFFAOYSA-N 343.435 1.194 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)NC1(c2ccccc2F)CC1 78966412 NZOMQLRTBQIUTP-UHFFFAOYSA-N 328.409 1.603 0 40 EDAB O=C1[C@H]2ON3CCOC[C@@H]3[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 12338615 QNBXMUGKYKVTDB-UTUOFQBUSA-N 342.273 1.209 0 40 EDAB CCn1cnnc1CNC(=O)N1CCC[C@H](NCc2ccccc2)C1 79075684 PLGUDTAANNQRJZ-INIZCTEOSA-N 342.447 1.762 0 40 EDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCCN(Cc2ccccc2)CC1 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334.441 1.492 0 40 EDAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)NC(C)C)c1=O 57426668 CIZXNLABZZJSBE-UHFFFAOYSA-N 337.445 1.795 0 40 EDAB Cc1ccccc1C(=O)NCC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 95992896 IXANNFMRQJMGHF-JKSUJKDBSA-N 332.444 1.980 0 40 EDAB O=C1O[C@@H](C(=O)NCc2ccc3c(c2)OCCO3)Cc2ccccc21 44517026 MTHNQZVKWZOSAK-QGZVFWFLSA-N 339.347 1.856 0 40 EDAB CCOc1ccccc1N1CCN([C@H](C)C(=O)NC(=O)NC)CC1 58143250 ZDDCQKQMOCFFQM-CYBMUJFWSA-N 334.420 1.051 0 40 EDAB COc1cc(NC(=O)c2ccc3c(c2)OCO3)c(C(N)=O)cc1OC 58191642 AQZOEKHQEGLZGJ-UHFFFAOYSA-N 344.323 1.784 0 40 EDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1COc2ccccc2C1 48248172 FBXYQFNSMAWBHM-CYBMUJFWSA-N 343.383 1.524 0 40 EDAB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2c1cccs1 100238604 GEUFAZWJMXEWDJ-CYBMUJFWSA-N 331.401 1.274 0 40 EDAB O=C(CNC(=O)OCc1ccccc1)NC[C@H](O)c1ccccc1 58298465 YBBUUEWGGDEJHC-INIZCTEOSA-N 328.368 1.763 0 40 EDAB COc1ccc(OC)c(-n2nnnc2SCC(=O)NCC2CC2)c1 58297157 XWZPMFZPHBUKLQ-UHFFFAOYSA-N 349.416 1.298 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCCC2)nc1 44976731 NXXXLRMPZNDMDN-ZDUSSCGKSA-N 342.399 1.710 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)o1 44943761 ZIVNPRZXFSKSKF-NWDGAFQWSA-N 344.433 1.513 0 40 EDAB NC(=O)NC(=O)CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 58343069 RIOYWIHHFDJRAN-LLVKDONJSA-N 347.350 1.250 0 40 EDAB CN1CCO[C@@H](CNC(=O)/C=C/c2ccccc2OC(F)F)C1 58393631 GAQLNJMUTMRIJS-YBJDMEARSA-N 326.343 1.748 0 40 EDAB O=C1[C@@H](NC[C@H]2CNc3ccnn3C2)CCN1Cc1ccccc1 58345367 XQCUHFAYEPSFEB-HOTGVXAUSA-N 325.416 1.316 0 40 EDAB Cc1ccc(C)c(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)c1 56335622 BZJOZRYCHOMFIO-CQSZACIVSA-N 345.399 1.271 0 40 EDAB COC(=O)C[C@@H](NC(=O)CSC)c1ccc(OC)c(OC)c1 28669025 INGXRESLTGZJRS-LLVKDONJSA-N 327.402 1.787 0 40 EDAB CN(C)[C@H](CNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccco1 25777711 DDVNKJUABRAAKQ-HZSPNIEDSA-N 347.415 1.174 0 40 EDAB COC[C@@H](C)NC(=O)COC(=O)c1cc2c(s1)CCSC2 84640380 LCHFUEKIPZVBHT-SECBINFHSA-N 329.443 1.845 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)NC[C@H](C)N1CCOCC1 46264807 JYLIAPUKSSKSMH-AWEZNQCLSA-N 349.431 1.668 0 40 EDAB CC(C)CN1C[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)CC1=O 29781055 HQXUXHNZPTXDEU-CQSZACIVSA-N 346.431 1.361 0 40 EDAB COc1ccccc1NC(=O)Nn1c(=O)[nH]c2ccccc2c1=O 2640202 DOMALBKURAPREJ-UHFFFAOYSA-N 326.312 1.474 0 40 EDAB CCO[C@@H]1C[C@@H](O)C12CCN(c1nnnn1-c1ccccc1)CC2 95400778 RGMNKVDSGPJTRL-HUUCEWRRSA-N 329.404 1.419 0 40 EDAB COc1ccc(CNC(=O)CNS(=O)(=O)Cc2ccccc2)cc1 12982160 XKVIDKMKCQHDIZ-UHFFFAOYSA-N 348.424 1.431 0 40 EDAB CC(C)OC(=O)c1nnn(C[C@H](O)c2ccc(Cl)cc2)c1CO 71328523 KWXLBZWCSLWDEI-ZDUSSCGKSA-N 339.779 1.723 0 40 EDAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccnc2)n2nnnc2N1 13123612 MWYOTSASSPYXDS-AWEZNQCLSA-N 334.343 1.391 0 40 EDAB O=C1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)c1ccccc1F 96006775 CHEMSYKWPGRJQA-AAEUAGOBSA-N 327.377 1.584 0 40 EDAB O=C(/C=C/c1cccnc1)N1CC(S(=O)(=O)NC2CCCC2)C1 96005445 FSRDXGNPQKTSRX-BQYQJAHWSA-N 335.429 1.168 0 40 EDAB CCc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)[nH]n1 95431036 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1.669 0 40 EDAB CN(C)CCn1c(=O)n(C)c(=O)c2sc3c(c21)COC(C)(C)C3 6764508 MMOXOFKAHNRCFX-UHFFFAOYSA-N 337.445 1.175 0 40 EDAB CNC(=O)CCCN(C)S(=O)(=O)Cc1ccc(F)c(Cl)c1 95439852 OUBOJKVSWBPKNY-UHFFFAOYSA-N 336.816 1.767 0 40 EDAB Cn1cccc1C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 71883106 HIAAKECPFZJJCA-UHFFFAOYSA-N 344.396 1.867 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2nc3nccc(C)n3n2)n1 71870127 BDBLWJZLNNPEBX-AWEZNQCLSA-N 339.403 1.551 0 40 EDAB C[C@H](NC(=O)c1cccs1)C(=O)NCCCCn1ccccc1=O 67627051 DJGLAOUQRHQFHE-ZDUSSCGKSA-N 347.440 1.625 0 40 EDAB CCOc1nncn1-c1sc2c(c1[C@H]1NC=NN1)CC[C@H](C)C2 26895452 JRVPASDFIGOFFL-ZANVPECISA-N 332.433 1.987 0 40 EDAB CC[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 68459720 BKVDYNZEPNGKCG-ZBFHGGJFSA-N 346.427 1.883 0 40 EDAB Cc1c(C(=O)O)nnn1-c1cccc2c1CCN(c1cnccn1)C2 68593391 RRFDXJURFFRUKQ-UHFFFAOYSA-N 336.355 1.627 0 40 EDAB COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 8217723 WKJPSLKAEDKMSY-LBPRGKRZSA-N 336.388 1.209 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)COc3cccc(C(N)=O)c3)C2)c1 69391942 VEOWBBYXFUWBSW-OAHLLOKOSA-N 342.399 1.533 0 40 EDAB CCc1nc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)no1 69485066 PMQDBPQURYADOH-UHFFFAOYSA-N 333.392 1.124 0 40 EDAB COC(=O)Cc1nnn(Cc2sc(-c3ccccc3)nc2C)n1 69487487 JWHOUJAVYCKNCD-UHFFFAOYSA-N 329.385 1.869 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 69414364 TZNDQFZTRYLXQO-SOUVJXGZSA-N 335.400 1.869 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1cnn(-c2ccccc2)n1 69490845 DEOPNTJKZHHEAI-ROUUACIJSA-N 339.443 1.895 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)CCC(=O)c1ccc(C)s1 8409044 YPSFPFPDFLBRNH-UHFFFAOYSA-N 340.401 1.798 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 69628093 XADQPKKUGHMKCP-JKSUJKDBSA-N 337.439 1.377 0 40 EDAB CCn1c(=O)n(CC(=O)N[C@@](C)(CC(C)C)C(N)=O)c2ccccc21 69705001 NWVIWZDTSKRYQK-SFHVURJKSA-N 346.431 1.229 0 40 EDAB CS(=O)(=O)Nc1ccccc1C(=O)NCCCN1CCCCC1 22913684 BNZPAKAGWNSZGJ-UHFFFAOYSA-N 339.461 1.664 0 40 EDAB O=C(COCC(F)(F)F)N1CCN(C[C@@H](O)c2ccccc2)CC1 69846750 CXPSPWQRNHYUJE-CQSZACIVSA-N 346.349 1.443 0 40 EDAB CC[C@@H]1CN(Cc2nc(N)c3ccccc3n2)CCN1CCOC 69841011 MKBSINKZMFGHGQ-CQSZACIVSA-N 329.448 1.755 0 40 EDAB Cc1ccc(N2CCC[C@@H](NCC(=O)NCc3cccs3)C2)nn1 69921072 HEDUYPWITOKEEX-CQSZACIVSA-N 345.472 1.721 0 40 EDAB COC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1 72287912 LXGNZLGQDSPVED-NWDGAFQWSA-N 330.306 1.788 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)CN(C)Cc3ccccc3)CCO2)n1 72299671 CMRHKSBLNQBXKW-HNNXBMFYSA-N 329.404 1.145 0 40 EDAB NC(=O)c1cnn(CCOC(=O)[C@@H]2C[C@H]2c2ccccc2F)c1N 72289702 GMFXOWNHTYDMIL-WDEREUQCSA-N 332.335 1.050 0 40 EDAB CCOc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 72269482 QTWPPSSBDAZYPJ-QZTJIDSGSA-N 332.444 1.685 0 40 EDAB COC(=O)[C@H](N[C@@H](C(N)=O)C(C)C)c1ccc(Br)cc1 95960194 UQRSAROBFPHVOK-VXGBXAGGSA-N 343.221 1.763 0 40 EDAB Cn1cc(N2CCC[C@H](N3CCN(c4ccncc4)CC3)C2=O)cn1 89755845 KWMUNJRURIWGNP-KRWDZBQOSA-N 340.431 1.133 0 40 EDAB O=C(Nc1cccc(-n2cnnn2)c1)c1cccc(-c2ncon2)c1 76092665 VQIOWODHRVRATN-UHFFFAOYSA-N 333.311 1.965 0 40 EDAB Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CC(N)=O)C2)N(C)C)cc1 76093975 PYUIJYOEYVCNEN-DOTOQJQBSA-N 346.475 1.895 0 40 EDAB O=C1CCCN1C[C@H]1CC[C@]2(COCCN(C3CCOCC3)C2)O1 306132246 LCYGCDWWOWAORR-AEFFLSMTSA-N 338.448 1.038 0 40 EDAB C[C@H](NC(=O)N1C[C@H](c2cnn(C)c2)[C@@H](CO)C1)c1cccc(O)c1 1553193760 TUGGYMAEAQVAMN-XGWLTEMNSA-N 344.415 1.604 0 40 EDAB O=C(NC[C@@]1(O)CCCc2occc21)[C@H]1COc2ccccc2O1 1565523015 XJXPRGBJKAVCLD-AEFFLSMTSA-N 329.352 1.760 0 40 EDAB CN(C)C(=O)CN1CCC[C@@H](c2nccnc2Nc2ccccn2)C1 72363617 OHAKYRDCMOACFJ-CQSZACIVSA-N 340.431 1.883 0 40 EDAB CCOC(=O)c1sc(NC(=O)c2cc(=O)c(OC)co2)nc1C 38516582 QRYSSWPHOGGUFX-UHFFFAOYSA-N 338.341 1.842 0 40 EDAB Cc1cc(=O)oc2ccn(CCC(=O)Nc3ccccn3)c(=O)c12 1547205738 BKJMINWWQDXVQI-UHFFFAOYSA-N 325.324 1.687 0 40 EDAB O=S(=O)(Cc1noc2ccccc12)N1CCC[C@H]1Cn1nccn1 675007894 ACCMRGAEVHZEAV-LBPRGKRZSA-N 347.400 1.414 0 40 EDAB COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)CNC(C)=O)c1 72380363 RAQPCQCYFYVGRC-MRXNPFEDSA-N 342.399 1.885 0 40 EDAB O=S(=O)(NCCN1CCOCC1)c1cccc(Br)c1 37383581 IBNOFYOMOCVINR-UHFFFAOYSA-N 349.250 1.060 0 40 EDAB CC[C@@H](Cc1ccc(NS(=O)(=O)c2cnn(C)c2)cc1)C(=O)O 184904079 WSXMVQFTMUMLEF-LBPRGKRZSA-N 337.401 1.874 0 40 EDAB Cc1c(Br)cccc1S(=O)(=O)NCc1cnn(C)c1 80729447 MJDJWNCTTPCPNP-UHFFFAOYSA-N 344.234 1.970 0 40 EDAB Cc1ccc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 46971193 HXBDTGFKZVKUFO-UHFFFAOYSA-N 329.444 1.621 0 40 EDAB COC[C@]1(C(=O)NCc2cccc(-c3ccccn3)c2)CCNC1 573793434 QGOLBZOQMLQFIM-IBGZPJMESA-N 325.412 1.991 0 40 EDAB COc1cc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)ncn1 178800622 BOEZTBBWDHNLNK-UHFFFAOYSA-N 332.379 1.955 0 40 EDAB CO[C@H]1CN(S(=O)(=O)c2cccc3nsnc23)CC[C@H]1C 194810920 JJMXDUAOKMTPKT-KOLCDFICSA-N 327.431 1.737 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)cc1C 224273697 WFEGLGAUEKWDHK-UHFFFAOYSA-N 348.428 1.731 0 40 EDAB COc1ccccc1C(=O)N1CCO[C@]2(CCCN(C(C)=O)C2)C1 96268737 NMJIXRDHLGUCMC-SFHVURJKSA-N 332.400 1.549 0 40 EDAB COCCN1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 96260449 KEHLNTHVUYRNDF-UHFFFAOYSA-N 334.464 1.651 0 40 EDAB CCc1nc(N2CC[C@@H](S(=O)(=O)NC)C2)c2ccsc2n1 95975967 QMTBMGMQSCHRJU-SECBINFHSA-N 326.447 1.382 0 40 EDAB O=C(CNC(=O)c1cnccn1)N[C@@H]1CCCc2c1[nH]c1ccccc21 96230886 WBTXDQLWUIQSIB-OAHLLOKOSA-N 349.394 1.882 0 40 EDAB CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)c3ccno3)CC[C@@H]21 96064450 HWVQUGGIZDBONN-ILXRZTDVSA-N 343.387 1.023 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2ccccn2)cn1 96041813 AMLVMHIYDOMIGA-RCCFBDPRSA-N 328.416 1.764 0 40 EDAB C[C@H](C(=O)NCC1(C(N)=O)CCOCC1)c1cc2ccccc2o1 96451177 XVYWULCHKARGTC-LBPRGKRZSA-N 330.384 1.935 0 40 EDAB Cn1cc(CN2CC[C@H]3O[C@H](C(=O)N4CCCCO4)CC[C@H]32)cn1 96057395 BXPQEBYIIGUHGC-OAGGEKHMSA-N 334.420 1.096 0 40 EDAB O=C(CCc1ccccn1)N1CC[C@H](Nc2ccc3nccn3n2)C1 580588692 RFJGPOQFIBPMRO-HNNXBMFYSA-N 336.399 1.770 0 40 EDAB COCc1cnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@@H]2C 96109632 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327.428 1.314 0 40 EDAB O=C1[C@H]2CN(CCCn3ccnc3)CCN2C(=O)N1c1ccccc1 97370619 UMRNBJANWAIFEQ-MRXNPFEDSA-N 339.399 1.426 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2cccnc2)[C@H]1Cc1cccnc1 96200877 INVQLAMWUVYGLD-SJORKVTESA-N 346.456 1.211 0 40 EDAB Cn1cnc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 241470615 NWNCGCJXAUDPRM-HOTGVXAUSA-N 328.416 1.033 0 40 EDAB Cn1cc([C@H](O)CNC(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)cn1 245343913 WKXIHHOFDJODJS-SOUVJXGZSA-N 334.807 1.962 0 40 EDAB COCCCNC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1 244339712 XSUWAHXMBVGSPN-UHFFFAOYSA-N 334.416 1.700 0 40 EDAB CN(C)S(=O)(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 585091421 IDULTGIACKIUNG-BDXSIMOUSA-N 349.500 1.635 0 40 EDAB CN1C(=O)C2(CCN(c3ncccn3)CC2)C[C@@H]1Cc1cccnc1 257232869 GMUFLFKDKOHQTB-INIZCTEOSA-N 337.427 1.932 0 40 EDAB CC(C)(CC(N)=O)NC(=O)Nc1cccn(Cc2ccccc2)c1=O 585135887 HLSFNIANIGOZBB-UHFFFAOYSA-N 342.399 1.672 0 40 EDAB CN1C(=O)C[C@@H](NC[C@@H]2COc3ccccc3O2)[C@@H]1c1ccnn1C 585117308 YFZOSTRRUOFEHA-SNUQEOBHSA-N 342.399 1.122 0 40 EDAB CO[C@@H](CNC(=O)N1CC[C@H](S(C)(=O)=O)C1)c1ccc(F)cc1 252486028 HHGRZGPVKMRXMS-KBPBESRZSA-N 344.408 1.342 0 40 EDAB Cc1c(CCC(=O)N2CCO[C@H](c3cccc(N)n3)C2)cnn1C 257235644 GYTGHNVLLAAANX-HNNXBMFYSA-N 329.404 1.238 0 40 EDAB O=C(O)[C@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 263244088 UKVLAOXABYRRFZ-UAGQMJEPSA-N 345.395 1.718 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)CN2C[C@H](C)Oc3ccc(C)cc32)C1 267078031 IRUPXRKAJUJUSD-GOEBONIOSA-N 345.443 1.709 0 40 EDAB N[C@@H]1C[C@H](NS(=O)(=O)c2cccc3c2OCCCO3)C12CCC2 1615058320 NDCIYSWBEACXTC-KGLIPLIRSA-N 338.429 1.396 0 40 EDAB COC(=O)c1cncc(CNS(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)c1 1615585362 CSRDDRFTYAWFTE-CVEARBPZSA-N 346.408 1.844 0 40 EDAB Cc1nnc(CNC(=O)[C@@H]2NCCOc3ccccc32)n1C1CC1 1615616536 RNZORYCHWCPEJA-MRXNPFEDSA-N 327.388 1.261 0 40 EDAB CC(C)C(=O)N1CC2(CC[C@@H](CNC(=O)c3cccnc3)CO2)C1 575404532 NSDOWJXKWNRLKA-AWEZNQCLSA-N 331.416 1.475 0 40 EDAB CCOc1ccc(S(=O)(=O)Nc2ccc(=O)n(CCO)c2)cc1 585140233 AKFMUCJZXKPPMT-UHFFFAOYSA-N 338.385 1.040 0 40 EDAB Cc1ccnc2nc(C(=O)N[C@H](C)Cc3ccc(N(C)C)cc3)nn12 69566777 MTFWROWWPRSTFI-GFCCVEGCSA-N 338.415 1.860 0 40 EDAB Cn1cnc2c1C[C@H](COCc1ccncc1)N(Cc1cn[nH]c1)C2 585094960 XBQUILVJMKJEFY-MRXNPFEDSA-N 338.415 1.682 0 40 EDAB CO[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@]12C[C@H](c1ccccc1)CO2 585287942 IXJFJOIZZVBBQY-YXJHDRRASA-N 327.384 1.823 0 40 EDAB Cc1cccc(/C=C/C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1 30583909 BOIGSLOFCFXKCF-ZNFPLGDCSA-N 336.457 1.939 0 40 EDAB Cc1nc(C)c2c(C)c(C(=O)N3CCN(C[C@@H](C)O)CC3)sc2n1 69980919 NZJOYVHNTXNHAA-SNVBAGLBSA-N 348.472 1.755 0 40 EDAB CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCN(CCO)CC1 75572710 XMEKLMXFCKVKMR-MRXNPFEDSA-N 342.386 1.505 0 40 EDAB COc1cccc(CN(C)S(=O)(=O)N2CCC[C@H](C(=O)O)C2)c1 75572317 RBVIUBLISFXYFI-ZDUSSCGKSA-N 342.417 1.168 0 40 EDAB O=C(Cc1n[nH]c2ccccc12)N1CC[C@@H](CN2CCOCC2)C1 76041693 WNXKXUZSJHCAOE-AWEZNQCLSA-N 328.416 1.286 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN([C@@H](C)C(=O)Nc3ncccn3)CCO2)n1 78893187 IDKHJXDIZJVOQM-NWDGAFQWSA-N 345.407 1.119 0 40 EDAB COC(=O)c1cc(CN(C)Cc2nc3ccsc3c(=O)[nH]2)c[nH]1 97162308 XGTHIWIMBCMXPS-UHFFFAOYSA-N 332.385 1.731 0 40 EDAB NC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)c(O)c1 95978870 GYHQPTBKFRYRFC-WPRPVWTQSA-N 327.178 1.539 0 40 EDAB Cn1ncc(NS(=O)(=O)c2cnc(C3CC3)s2)c1C(=O)O 1615555777 NFKAWDNRSGEYID-UHFFFAOYSA-N 328.375 1.253 0 40 EDAB CCc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 5167828 QDRRZZKPTOWUGK-SNVBAGLBSA-N 345.355 1.828 0 40 EDAB CCOC(=O)c1ccc(NC(=S)N2CCN(C(C)=O)CC2)cc1 16213439 UGFVOHLJEKPCRN-UHFFFAOYSA-N 335.429 1.724 0 40 EDAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N=C(N2CCCCC2)N1 17071848 CPVSLFKZYCHWKG-AWEZNQCLSA-N 344.415 1.673 0 40 EDAB COCCc1nnc(NS(=O)(=O)Cc2cccc(C)c2)s1 19235097 HZQKSYNRTDQANW-UHFFFAOYSA-N 327.431 1.977 0 40 EDAB COc1ccc([C@@H]2CC(=O)C[C@@H](Nc3nonc3N)C2)cc1OC 19974036 AAGANYJCNZQGJR-QWRGUYRKSA-N 332.360 1.986 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 169680646 CNWYMXRVLBUUON-LZWOXQAQSA-N 327.428 1.841 0 40 EDAB Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 2455065 VGDNTYWCSGTKDA-OLZOCXBDSA-N 345.424 1.239 0 40 EDAB biogenic c1cnc(N2CCN(C3CCN(CC4CCOCC4)CC3)CC2)nc1 252507784 WTXKYLOLDLCQKN-UHFFFAOYSA-N 345.491 1.490 0 40 EDAB CN(C)Cc1cc(CNC(=O)[C@H]2CCc3cncn3C2)ccc1F 574693301 BLVUWGBZWVLBAN-AWEZNQCLSA-N 330.407 1.963 0 40 EDAB CCOC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 3193216 CLFRVLHAWKCYIO-SNVBAGLBSA-N 341.414 1.408 0 40 EDAB O=C(c1cccnc1O)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888850374 HKCFPKCLIHGBFU-GFCCVEGCSA-N 340.383 1.996 0 40 EDAB Cc1sc2ncnc(N3CCO[C@@H](C(=O)NC4CC4)C3)c2c1C 1889085203 BIYHLQDRRQAHQN-GFCCVEGCSA-N 332.429 1.792 0 40 EDAB COc1ncccc1C(=O)N1CCC[C@@H](N(C)c2ncc(C)cn2)C1 1889133859 KATYQHYMYNIYJA-CQSZACIVSA-N 341.415 1.930 0 40 EDAB O=S(=O)(C1CC1)N1CCCN(c2cc(C3CCC3)ncn2)CC1 1889134485 WGCZZSYYEDODFE-UHFFFAOYSA-N 336.461 1.748 0 40 EDAB CCn1cc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)nc1C 1889139510 IQSNCOABUQPJAI-KBPBESRZSA-N 349.460 1.965 0 40 EDAB CCn1nccc1C(=O)N1C[C@H]2CCN(CCCOC)CC[C@H]2C1 2056223944 ILEJNHVFHHIYLU-IYBDPMFKSA-N 334.464 1.724 0 40 EDAB Cc1ccc2nc(SCC(=O)Nc3cc(C)on3)nc(=O)n2c1 4503670 DNSBMENMYMOBBO-UHFFFAOYSA-N 331.357 1.425 0 40 EDAB COc1ccccc1-n1nnn([C@H]2CC(=O)[C@@H]3OC[C@H]2O3)c1=S 6659576 KYIIDSFFMUGDAW-ZWKOPEQDSA-N 334.357 1.062 0 40 EDAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)n(C)n1 12229325 JIMTYXDVLRYOIG-UHFFFAOYSA-N 333.417 1.129 0 40 EDAB O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(=O)c3cccc(Cl)n3)C[C@H]1O2 2055738663 IDIJFHFKRLBIGH-OUCADQQQSA-N 349.818 1.633 0 40 EDAB O=C(c1ccsc1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772741 WIUDINYOJYKDDP-UHFFFAOYSA-N 344.440 1.808 0 40 EDAB O=C(NCc1cc(-c2ccc3c(c2)OCCO3)on1)c1cnccn1 36662291 HKSFGLKLJXDQRC-UHFFFAOYSA-N 338.323 1.833 0 40 EDAB O=C(NCCN1C(=O)COC1=O)Nc1ccc(C(F)(F)F)cc1 575615090 BTVMMVJCAWIHHN-UHFFFAOYSA-N 331.250 1.806 0 40 EDAB CN(C)c1ncc2c(n1)CC[C@@H](NC(=O)c1ccc3c(c1)OCO3)C2 585150382 UFZQQCMCPRZSCW-CYBMUJFWSA-N 340.383 1.559 0 40 EDAB Fc1cnc(N2CCN(c3ncc(Br)cn3)CC2)nc1 269532508 YZHCMYCPJGWYTC-UHFFFAOYSA-N 339.172 1.495 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1cccnc1 40090125 XLHSOYHHGOZMDE-OCCSQVGLSA-N 325.434 1.397 0 40 EDAB O=C(C1=COCCO1)N1CCCN(C(=O)c2cccc(F)c2)CC1 31269005 TWHVVRMCJBHGIB-UHFFFAOYSA-N 334.347 1.388 0 40 EDAB O=C(c1ccccc1)N1CCN(Cc2nnc3n2CCCCC3)CC1 40481312 BSCFTHKFTGDHGM-UHFFFAOYSA-N 339.443 1.963 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1ccccc1OC[C@@H]1CCCO1 40490023 AUYRPPLEHXAYOH-ZDUSSCGKSA-N 342.399 1.712 0 40 EDAB CCOC(=O)c1c(C)nn2c(=O)cc(CN(C)[C@@H](C)C3CC3)[nH]c12 100839772 YHHKTZMGNMDIPR-NSHDSACASA-N 332.404 1.738 0 40 EDAB CC(=O)N1CCCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1 40553345 JORLUKOFFZLWOZ-UHFFFAOYSA-N 333.417 1.238 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)C[C@@H]1CCCCO1 101189087 QNGBMNQIEICYJR-YHQUGGNUSA-N 331.434 1.063 0 40 EDAB CCCOc1c(OC)cccc1[C@H]1C=C(C(=O)O)Nc2nnnn21 101675107 RFDPLUHPVWFRES-LLVKDONJSA-N 331.332 1.454 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1 32551679 YMXMYGOIWCXPNE-UHFFFAOYSA-N 337.401 1.418 0 40 EDAB COc1ccc(OCC(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)cc1 374630 DYGFJARJMXBQEF-CYBMUJFWSA-N 332.278 1.933 0 40 EDAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1 342338 ZNOPFANOLSMLLN-UHFFFAOYSA-N 349.412 1.614 0 40 EDAB CN(CCCNC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)S(C)(=O)=O 102148655 PSYHKDIXRLQPPR-XJKCOSOUSA-N 345.509 1.782 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 41164608 NLNGZSHQQDSOAW-MRXNPFEDSA-N 338.473 1.797 0 40 EDAB CC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2 52839905 DESKUWZTNXVYGN-BCFZYGEVSA-N 345.443 1.648 0 40 EDAB Cc1c(C(=O)N2CCN(CC(N)=O)CC2)sc2ccc(F)cc12 52984008 LJLSFUIAAAWRAL-UHFFFAOYSA-N 335.404 1.592 0 40 EDAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC[C@H]1CCOC1 78710582 KMATXOUNVJPJGW-CYBMUJFWSA-N 338.429 1.437 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)N[C@@H](c3nccs3)C3CC3)C2)cn1 78942182 SDDTZPLXUNBELP-GXTWGEPZSA-N 346.460 1.906 0 40 EDAB Cn1ncc(C(=O)NCc2cccnc2-n2cccn2)c1-n1cccc1 42055894 XKIXMJKVTNESJN-UHFFFAOYSA-N 347.382 1.722 0 40 EDAB Cc1cc(=O)c(OCC(=O)NCCc2c[nH]c3ccccc23)c[nH]1 79192190 GXNMVIBWUZRFCH-UHFFFAOYSA-N 325.368 1.902 0 40 EDAB biogenic O=C(CNC(=O)c1ccoc1)NCCc1nc2c(s1)CCCC2 79336404 PUILWUHJFSVXOT-UHFFFAOYSA-N 333.413 1.704 0 40 EDAB CCC(=O)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 4231175 RZAGJRHYBHAWDF-UHFFFAOYSA-N 346.383 1.420 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1C(=O)CN(C)C(=O)c2ccccc21 4356329 IPGLREHMYQOASC-ZDUSSCGKSA-N 329.400 1.506 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cnc(C)cn2)c1C 6348996 TWYSGFXRVJCLQD-NSHDSACASA-N 345.355 1.945 0 40 EDAB Cc1cnc(NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)s1 12409924 XLRRGXNZSBTLSE-LBPRGKRZSA-N 333.369 1.346 0 40 EDAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 6731888 CVFJKTXJTUYOLX-OSRDXIQISA-N 344.367 1.087 0 40 EDAB Cc1cc(F)ccc1-n1ccc(C(=O)NCCCc2n[nH]c(=O)[nH]2)n1 97085087 KQSQGHJZEJLBSD-UHFFFAOYSA-N 344.350 1.094 0 40 EDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1ccncc1 42753118 HFDRYLNNOWRUHQ-ZIAGYGMSSA-N 340.470 1.665 0 40 EDAB Cc1cccnc1CN1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 108529992 QHIKLEOESBJCSJ-UHFFFAOYSA-N 335.473 1.826 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCCCOC(C)C)ccc1OC 8476077 LUDVVPCWFQRMHI-UHFFFAOYSA-N 344.433 1.148 0 40 EDAB Cc1nc(CN2CCN(C(=O)NCCc3ccccn3)CC2)cs1 42962919 ZUMYCKHLIFHGEP-UHFFFAOYSA-N 345.472 1.916 0 40 EDAB CN(Cc1nc2ccsc2c(=O)[nH]1)c1ncnc2c1cnn2C 97094783 PGHLNKJFTRMBLX-UHFFFAOYSA-N 327.373 1.298 0 40 EDAB COc1ccc(NC(=O)C[C@@H](CN2CCCN(C)CC2)C(=O)O)cc1 106711213 HRGHJNAULQDZOB-AWEZNQCLSA-N 349.431 1.362 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN([C@@H](C(N)=O)c3ccccc3)C2)n1 106783248 MQJSMHGLJJXUCH-DOTOQJQBSA-N 327.432 1.834 0 40 EDAB CCOC(=O)COc1cccc(NC(=O)CCNC(=O)[C@H]2C[C@@H]2C)c1 25275424 RLVHJVLTFPNYOX-WFASDCNBSA-N 348.399 1.729 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3c(C)nn4cccnc34)C2)n1 72235501 STVNVSLPGQRJJA-CQSZACIVSA-N 339.403 1.723 0 40 EDAB COc1cccc(C(=O)NCCNc2cnccn2)c1OC(F)F 56497256 HTTCLPFBPJZQSS-UHFFFAOYSA-N 338.314 1.929 0 40 EDAB CN(C)S(=O)(=O)Nc1cc(Br)ccc1-n1cccn1 72297052 SVLLRTQCLANGDH-UHFFFAOYSA-N 345.222 1.853 0 40 EDAB Cc1nc(CN(C)[C@@H]2CCN([C@H](C)c3nc(C4CC4)no3)C2)no1 108087073 PQJCCINXCLIKQK-ZWNOBZJWSA-N 332.408 1.906 0 40 EDAB CCOC(=O)c1cnc(S[C@H](C)C(=O)NC2CCCC2)nc1N 12557356 MUEAYGMBPGVRBZ-SECBINFHSA-N 338.433 1.775 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NC[C@@H]3CCCO3)C2)nc1 57418553 VLQNUBULVGYGBR-CABCVRRESA-N 346.431 1.929 0 40 EDAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)NC[C@H]2CCCO2)C1 57418567 GCWQYIWIJKRKFL-LSDHHAIUSA-N 346.431 1.929 0 40 EDAB CC(C)(C)c1ccc(C(=O)NCC2(O)CCS(=O)(=O)CC2)cc1 72297770 FWIJYRZHBDXOED-UHFFFAOYSA-N 339.457 1.654 0 40 EDAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc2c1OCCCO2 56044450 RIBUMOKENLEGEW-CYBMUJFWSA-N 334.397 1.814 0 40 EDAB Cc1nnc(NC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)s1 58023565 QSMWJRHZDBFDQQ-NTZNESFSSA-N 339.465 1.952 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)cc1 27580734 GVKCCXKFVJEUOI-CYBMUJFWSA-N 327.388 1.391 0 40 EDAB CCOC(=O)NC1CCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 58171126 SQWUFBGCZMYJAO-LLVKDONJSA-N 342.440 1.210 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@H]2c2cccs2)ccc1=O 44873529 CESKGIZMNUVFEN-ZDUSSCGKSA-N 333.413 1.929 0 40 EDAB CNC[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)C1 71144544 DUIHYBMJHCSXEU-NSHDSACASA-N 347.278 1.988 0 40 EDAB CCOc1ccc(CN2CCN(C(=O)[C@@H](C)n3cncn3)CC2)cc1 44908911 PQJTURDWCPHMDF-OAHLLOKOSA-N 343.431 1.582 0 40 EDAB O=C(NCCc1ccccn1)c1ccc(S(=O)(=O)NC2CC2)o1 44918326 YEYZXSQNVZCYHV-UHFFFAOYSA-N 335.385 1.088 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)N1CCC[C@H](n2cccn2)C1 71185413 QGUVUBVULAWOCY-AWEZNQCLSA-N 340.383 1.472 0 40 EDAB CC[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 48280116 RXYXJQLGMBZRGH-OCCSQVGLSA-N 326.418 1.633 0 40 EDAB CC(C)N(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3cccn3C)C2)O1 107194776 UGZYSNRIVDBANQ-LPHOPBHVSA-N 349.475 1.756 0 40 EDAB O=C(CCNC[C@H]1CNc2ccnn2C1)N1CCc2sccc2C1 58313640 NUDBYZAATROFIO-ZDUSSCGKSA-N 345.472 1.551 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)Cc1ccccc1 58332034 JKCPMPPQXDHCOJ-CYBMUJFWSA-N 342.486 1.806 0 40 EDAB O=C(c1cscn1)N1CCOC2(CCN([C@H]3CCOC3)CC2)C1 107193110 UOIPRQQVXZXYBT-ZDUSSCGKSA-N 337.445 1.239 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N(C)Cc2ccc3c(c2)OCO3)C1 28083688 HCFVGZOMWDBOKA-LBPRGKRZSA-N 326.418 1.824 0 40 EDAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCOCC2)c2ccc(F)cc21 36366085 XMMPXORQGAPFRR-OAHLLOKOSA-N 336.319 1.323 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 3341457 IJQWBZNKMXTCHI-UHFFFAOYSA-N 329.400 1.866 0 40 EDAB Cc1c(S(=O)(=O)NCc2nn(C)c(Cl)c2Cl)cnn1C 36614663 FRJBNNXXVLJCSY-UHFFFAOYSA-N 338.220 1.247 0 40 EDAB Cc1nc2sc3c(c2c2nc(C(=O)NC[C@H](C)O)nn12)CCC3 2443637 PLRCATWBUZZUEC-ZETCQYMHSA-N 331.401 1.247 0 40 EDAB C[C@H](NC(=O)NCc1cccnc1N1CCOCC1)[C@H]1CCCO1 45682332 JIHVBTTZERLQEY-DZGCQCFKSA-N 334.420 1.285 0 40 EDAB O=C(Cn1ccccc1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 45827096 KHCIPUIMQDTRJH-OAHLLOKOSA-N 340.379 1.983 0 40 EDAB O=S(=O)(NCc1ccnc(N2CCCC2)c1)N1CCCCCC1 29395395 RIHYWSIXEBASBH-UHFFFAOYSA-N 338.477 1.892 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)N1 48374523 KFQTVZSHIUOHNS-UHFFFAOYSA-N 340.339 1.156 0 40 EDAB Cc1nc(N2CCN(CCO)CC2)c2c3c(sc2n1)CCCC3 20320082 SUCABWICLHXUCP-UHFFFAOYSA-N 332.473 1.993 0 40 EDAB COC(=O)c1cnc(NC(=O)CCNC(=O)c2cccc(C)c2)s1 12947582 ROGJEAQMXDYGER-UHFFFAOYSA-N 347.396 1.997 0 40 EDAB Cc1ccnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c1 9157310 QCFFSPAPUPAZHO-UHFFFAOYSA-N 348.428 1.765 0 40 EDAB Cc1cccc(OCCOC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 6149466 LMHXOLNFRSUASY-UHFFFAOYSA-N 346.383 1.782 0 40 EDAB Cc1cc(CN2CCN(C(=O)Cc3cn4ccsc4n3)CC2)no1 65592793 LUGGJZNKKPPXGV-UHFFFAOYSA-N 345.428 1.579 0 40 EDAB Cc1nc2ncc(C(=O)NCCNC(=O)c3cccs3)cc2[nH]1 96011274 HJOYNZDSTZCTDY-UHFFFAOYSA-N 329.385 1.488 0 40 EDAB COc1cc(C(=O)NC2CCCC2)cc(Cl)c1OCC(N)=O 14267111 IRHMWKNBPQBAHG-UHFFFAOYSA-N 326.780 1.885 0 40 EDAB O=C1/C(=C/Nc2nnc[nH]2)c2ccccc2C(=O)N1c1ccccn1 6508717 MQXDRZDWIGGIRU-UKTHLTGXSA-N 332.323 1.840 0 40 EDAB CCOC(=O)C1CCN(C[C@H](O)COc2ccc(OC)cc2)CC1 5788463 LGARZTXHQIZVIY-HNNXBMFYSA-N 337.416 1.710 0 40 EDAB CCN(CC)Cc1cnc2c(C(=O)N(C)Cc3cc[nH]n3)cnn2c1 67692524 ZDHSZMCMJYMPFN-UHFFFAOYSA-N 341.419 1.566 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)N[C@H]2C[C@H]2c2ccccc2)CC1 67611556 RMBICIXZIKUVQB-GJZGRUSLSA-N 337.445 1.266 0 40 EDAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@H]2CCCO2)C1=O 7501630 JIUXHIVEPPUKTL-PXAZEXFGSA-N 332.356 1.404 0 40 EDAB CCc1cnc(N2CCN(CCC(=O)N3CCOCC3)CC2)s1 96441507 NZPTUVMRTMZUCV-UHFFFAOYSA-N 338.477 1.076 0 40 EDAB O=C(NCC[C@H]1CCCO1)[C@H](c1cccc(F)c1)N1CCOCC1 96426174 WFHFBUPZVUIHDO-SJORKVTESA-N 336.407 1.884 0 40 EDAB COc1ccc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)cc1F 8134586 GKEDEFZGESBJME-GQCTYLIASA-N 342.374 1.986 0 40 EDAB Cc1cc(S(=O)(=O)N2CCNC[C@H]2C)sc1Br 94541392 WCPWIXZSYOGASR-MRVPVSSYSA-N 339.280 1.801 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C)C(=O)NCc3ccco3)C2)n1 70037139 ODNLAMNVIBVXQV-XJKSGUPXSA-N 345.447 1.905 0 40 EDAB NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 69385688 VSGVAMKFSMGCIM-DTWKUNHWSA-N 337.228 1.502 0 40 EDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1cccc2c1OCCO2 69491973 WYMLRRNYCMPGCZ-DOMZBBRYSA-N 335.356 1.469 0 40 EDAB Cc1cnn(C[C@@H]2CN(C[C@H](O)COCc3ccccc3)CCO2)c1 69515350 OWFNKQBFJFLYEF-OALUTQOASA-N 345.443 1.470 0 40 EDAB Cc1[nH]c(=O)ccc1C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91758377 AOFXTVQKLTXWCN-NHYWBVRUSA-N 334.322 1.910 0 40 EDAB O=C(CCN1C(=O)CCC1=O)NCCc1coc(-c2ccccc2)n1 69625832 BGBGBPKOJMUURS-UHFFFAOYSA-N 341.367 1.539 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)CCc2c(C)nc[nH]c2=O)c1 69666836 NXLKLUVLRAVHEA-HNNXBMFYSA-N 343.431 1.597 0 40 EDAB CCNC(=O)N[C@H]1CN([C@@H](C)c2nc(C(C)(C)C)no2)C[C@@H]1OC 69631457 ZGGOFLBEGUUYLQ-SRVKXCTJSA-N 339.440 1.446 0 40 EDAB O=C(c1sccc1-n1cnnn1)N1CCC[C@H]1Cn1cccn1 71866500 QHLRSFBBIDVNIJ-NSHDSACASA-N 329.389 1.225 0 40 EDAB CS(=O)(=O)c1nc(C(=O)NC[C@@H]2CCCCO2)c2ccccn12 71833103 JTVKCZPFIFQQLE-NSHDSACASA-N 337.401 1.037 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N1CCC[C@H]1c1cccs1 71803267 MFXCZJKFRXDMCB-LBPRGKRZSA-N 345.490 1.924 0 40 EDAB Cc1cnn(C[C@H]2CN(CCC(=O)Nc3cc(C)on3)CCO2)c1 69877082 NVDZNNQUHJDYNC-CQSZACIVSA-N 333.392 1.218 0 40 EDAB Cc1cc(NC(=O)CCN[C@H]2CCCN(Cc3noc(C)n3)C2)no1 69818467 ACFGWIHYZQEYBJ-ZDUSSCGKSA-N 348.407 1.257 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)cc1)n2C 8706444 YQXPQPQBJMDDCI-UHFFFAOYSA-N 328.372 1.899 0 40 EDAB C[C@H](SCc1nc(N)nc(N)n1)C(=O)NCc1ccc(F)cc1 8704361 FEARRARXFZNXRC-QMMMGPOBSA-N 336.396 1.113 0 40 EDAB CN(Cc1ccc(C(N)=O)cc1)C[C@@H]1CCCN1c1cccnn1 71859995 AXTMXFODRVUNQG-INIZCTEOSA-N 325.416 1.676 0 40 EDAB O=S(=O)(NCCCOCC1CC1)c1cccc2nsnc12 19079822 ONRSPCLJJRTVFC-UHFFFAOYSA-N 327.431 1.786 0 40 EDAB CC(C)[C@@H](NC1CCOCC1)C(=O)N1CCC(n2ccnc2)CC1 71916800 CAMIOEVAJJBZEF-QGZVFWFLSA-N 334.464 1.840 0 40 EDAB O=C1NCCN(Cc2nc3ccsc3c(=O)[nH]2)[C@@H]1c1cccs1 72799383 GTRZWANKCKTLLU-GFCCVEGCSA-N 346.437 1.719 0 40 EDAB CC1CCN(C(=O)[C@H](C)[S@@](=O)Cc2cccc(C(N)=O)c2)CC1 84697925 GGTJIIKPIDCNSV-ZAMGYDSWSA-N 336.457 1.681 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)Cn1nc2c(cc1=O)CCCCC2 95478567 YMTHCKQTKZJHMW-OAHLLOKOSA-N 332.448 1.113 0 40 EDAB C[C@@]1(c2ccccc2)NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O 95444444 KFZZYVLNLMBKLR-INIZCTEOSA-N 336.413 1.278 0 40 EDAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1CC(N)=O 95999904 AMSLVRKXKVMELH-OAHLLOKOSA-N 332.379 1.487 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccc(-n2cccn2)cc1 95987313 CVNKTEZRFABYER-OLZOCXBDSA-N 327.388 1.990 0 40 EDAB CCCS(=O)(=O)Nc1cccc(CCN2CCN(C)CC2)c1 95990506 UMBNWGRHRILKNE-UHFFFAOYSA-N 325.478 1.628 0 40 EDAB NC(=O)C1CCC(CNC(=O)NCc2ccc3c(c2)OCO3)CC1 95963904 CPDPAZGHCCEQPS-UHFFFAOYSA-N 333.388 1.506 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)Cn1nc2ccccn2c1=O 89340300 WWAAFFPOEZBQMB-ZDUSSCGKSA-N 326.356 1.225 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)NCCC2=CCCCC2)CC1 89486647 BHOUFFFBZSDJHK-UHFFFAOYSA-N 329.466 1.600 0 40 EDAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)CCCn3cncn3)CCO2)n1 76046275 UYPREOKFVWHMIH-GFCCVEGCSA-N 347.423 1.074 0 40 EDAB O=C(CSc1nnc(CN2CCOCC2)o1)Nc1ccccc1 22423581 QPJVRQYKXZPYHJ-UHFFFAOYSA-N 334.401 1.633 0 40 EDAB CCc1noc([C@@H](C)N2CCN(CCCN3CCCC3=O)CC2)n1 69529237 NWACBBAFHWZQSK-CQSZACIVSA-N 335.452 1.323 0 40 EDAB CN1CC[C@@H](N2CCN(Cc3nc(-c4ccccc4)no3)CC2)C1=O 533034776 UKRSZRXIJXMMJZ-OAHLLOKOSA-N 341.415 1.085 0 40 EDAB CCN(C(=O)c1cc(Cl)c(Cl)n1C)[C@H]1CCN(CCO)C1 1033848647 RVDXYNLGRWMPEB-JTQLQIEISA-N 334.247 1.861 0 40 EDAB O=C(CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC1(Cl)Cl)N1CCCC1 72534128 GXQOMNPPNHUNEU-RYUDHWBXSA-N 349.258 1.810 0 40 EDAB CC(C)c1nnc(NC(=O)[C@H](c2ccccc2)n2cnnn2)s1 36365350 CURYAGCMWPWMIL-NSHDSACASA-N 329.389 1.876 0 40 EDAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)o1 42626873 QWHMFFXAEBHIBK-JTQLQIEISA-N 336.369 1.958 0 40 EDAB Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cccn(C)c2=O)n1 75170667 ZUWLIVPFJOHYPB-UHFFFAOYSA-N 340.305 1.475 0 40 EDAB CN(C)c1ccc(C[C@@H]2CCCN(C(=O)c3cccc(=O)[nH]3)C2)nn1 72369270 MLPZZVRHAOFSNY-ZDUSSCGKSA-N 341.415 1.326 0 40 EDAB CN(C(=O)[C@H]1[C@H](C(=O)O)C1(C)C)[C@@H]1CCc2ccccc2NC1=O 70666598 KHTOPLGFWYEBPT-MGPQQGTHSA-N 330.384 1.755 0 40 EDAB Cc1cnc2cc(C(=O)N3C[C@@H](C)[C@@H](N4CCOCC4)C3)ccn12 564466738 VBIBRZZLZRGFML-CJNGLKHVSA-N 328.416 1.435 0 40 EDAB CSCc1cccc(S(=O)(=O)NCCCN2CCOCC2)c1 72240365 CMRRLNPPZQQETK-UHFFFAOYSA-N 344.502 1.550 0 40 EDAB CC(C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224347464 HTYVTQSZEMGNFJ-UHFFFAOYSA-N 340.445 1.622 0 40 EDAB Cn1ccc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc3c(c2)OCO3)n1 223333573 PWGIXEZAIUORDS-GFCCVEGCSA-N 342.355 1.279 0 40 EDAB CCn1nccc1CNC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O 41549022 JGYADQRKUWZCBP-INIZCTEOSA-N 348.790 1.962 0 40 EDAB C[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1F)c1nnn[nH]1 134051263 KRCHRXKFUACSKF-ZETCQYMHSA-N 333.776 1.416 0 40 EDAB CC1=C(C(=O)N[C@H](CO)Cc2ccccc2)[C@H](C)n2ncnc2N1C 192611420 MNIGIKTZLXJCHN-ZFWWWQNUSA-N 341.415 1.283 0 40 EDAB O=C(c1cscn1)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1 96217699 HFMRNWQYTAWSFB-MLGOLLRUSA-N 335.429 1.529 0 40 EDAB O=c1c2sccc2ncn1CCSc1nc2ncccn2n1 96430127 IDHRAERIWSVBSH-UHFFFAOYSA-N 330.398 1.688 0 40 EDAB COc1ncccc1CN1CC[C@@]2(C[C@H](NC(=O)N(C)C)CCO2)C1 96206997 IADYTDWYCIUFNT-CRAIPNDOSA-N 348.447 1.485 0 40 EDAB Cn1cc([C@H]2CC3(CCN(C(=O)c4ccco4)CC3)NC2=O)cn1 96069609 WPNCNYIFFLVBTL-CYBMUJFWSA-N 328.372 1.292 0 40 EDAB CCC(=O)N1CCC2(CC1)[C@@H](c1cnn(C)c1)CC(=O)N2CCOC 96199894 GQVWAGOVOVGLMD-OAHLLOKOSA-N 348.447 1.154 0 40 EDAB O=C(CC1CC1)NCc1cnc2n1CCN(c1ncc(F)cn1)CC2 96197045 WHVGDVLRBVTNQE-UHFFFAOYSA-N 344.394 1.291 0 40 EDAB O=C(CSc1ccc(F)cc1)NC[C@@H](O)Cn1ccccc1=O 96124367 OFTLOCHURSXUKR-CYBMUJFWSA-N 336.388 1.257 0 40 EDAB COc1cc(N2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)ncn1 96184793 CLMVPOMWZJDZLY-UONOGXRCSA-N 344.440 1.969 0 40 EDAB CCOC[C@@H]1CN(C(=O)c2cccnc2OC)Cc2ncn(C)c21 96068629 SRFJVRGBWRKMPE-LBPRGKRZSA-N 330.388 1.600 0 40 EDAB CC(=O)N1[C@H]2CCN(C(=O)c3ccco3)C[C@H]2C[C@@H]1Cn1cccn1 96064445 HSDMFVXDPJJWKC-OAGGEKHMSA-N 342.399 1.628 0 40 EDAB O=C(C[C@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@H]21)N1CCOCC1 96209159 MRCWKFAXYXSZPS-KZNAEPCWSA-N 345.443 1.167 0 40 EDAB Cc1ncc(CNC[C@H](C)N2CCN(C)CC2)n1-c1ccccc1 96460019 SWKFKKFYQJHTDS-INIZCTEOSA-N 327.476 1.906 0 40 EDAB COc1ccccc1[C@H](C)N1CCN(C(=O)c2cncn2C)CC1 585084525 LWXTWWPYHFMBLE-AWEZNQCLSA-N 328.416 1.948 0 40 EDAB NC(=O)[C@@H]1CCCN(c2ccccc2CNC(=O)C2=COCCC2)C1 95393218 CXAGDQVSCJJKGQ-OAHLLOKOSA-N 343.427 1.699 0 40 EDAB O=C(CC1CC1)N[C@@H]1CN(Cc2ccncc2)C[C@@H]2CCCO[C@@H]21 96057127 RMMWUDBYIGGCOQ-SCTDSRPQSA-N 329.444 1.977 0 40 EDAB Nc1ncnc2c1ncn2CCCNC(=O)Cc1ccc(Cl)cc1 585129910 BKGNXHNMGOCEJW-UHFFFAOYSA-N 344.806 1.811 0 40 EDAB Cc1ccc([C@H]2[C@H](C(=O)NCc3ccco3)OCC(=O)N2C)cc1 96181466 NIYWJOWEBQCTCK-DLBZAZTESA-N 328.368 1.803 0 40 EDAB O=C(c1ccnnc1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1 247878854 UUPAWMSQRRTYKG-SFHVURJKSA-N 349.394 1.915 0 40 EDAB CCO[C@H]1CSC2(C1)CN(S(=O)(=O)c1c(C)nn(C)c1C)C2 248039805 OAGWPALPDHVVTK-GFCCVEGCSA-N 345.490 1.322 0 40 EDAB O=C(CN1CC2(C[C@H](OCc3ccccn3)CCO2)C1)N1CCCC1 247767492 LZNNIBLOLBTEQM-QGZVFWFLSA-N 345.443 1.454 0 40 EDAB O=C1N[C@@]2(C[C@H]3CC[C@H]2N3C(=O)[C@H]2CCCO2)Nc2ccccc21 247856238 JWZZKZSJYROUJW-XKLVTHTNSA-N 327.384 1.481 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2ccc(COC)cc2)CCO1 257210877 BWMXDKYOAKNDBS-HNNXBMFYSA-N 342.399 1.878 0 40 EDAB COCC(=O)N1CCC[C@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1 257247862 JAXDTECWKCCKAI-LBPRGKRZSA-N 348.403 1.564 0 40 EDAB Cc1cc(C)n2ncc(CN3C[C@@H](O)[C@H](Oc4ccccc4)C3)c2n1 257331646 XTRONLBBWTXFHE-QZTJIDSGSA-N 338.411 1.970 0 40 EDAB CN1CCC[C@@H](CNC(=O)c2ccccc2-n2cc(CN)cn2)C1 257214891 CNWRHTHKALIHRI-AWEZNQCLSA-N 327.432 1.403 0 40 EDAB COCc1cccc(C(=O)N2CCO[C@H](c3nccnc3N)C2)c1 257249095 JGUQGKLLMNCFOS-AWEZNQCLSA-N 328.372 1.419 0 40 EDAB O=C(NCCn1ccc2ccoc2c1=O)[C@@H]1COc2ccccc2O1 253472236 KMBSWGLAIYWMEQ-HNNXBMFYSA-N 340.335 1.551 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2n[nH]c(=O)c3ccccc23)n1 257330481 XOPUBQXWRCWOSY-CYBMUJFWSA-N 339.355 1.168 0 40 EDAB CC(=O)N1CC2(CCN(Cc3cccc(C)n3)CC2)C[C@@]1(C)CO 257244358 IKYVNMBTXIDHBX-SFHVURJKSA-N 331.460 1.975 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)Cc3c(C)noc3C)CC2)n1 69560120 GXWZEIXKGSSDFM-UHFFFAOYSA-N 345.403 1.371 0 40 EDAB CC1=CCN(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC1 252480478 CAURGUXGSWZRPD-UHFFFAOYSA-N 330.388 1.428 0 40 EDAB CCc1ccc(S(=O)(=O)NCCS(=O)(=O)N(CC)CC)cc1 69535254 KMKRRDHZTJBKBA-UHFFFAOYSA-N 348.490 1.199 0 40 EDAB COc1ccc(COCC(=O)Nc2cnc3n[nH]c(C)c3c2)cn1 624599489 MXGPPHJYXOPZFM-UHFFFAOYSA-N 327.344 1.825 0 40 EDAB Cc1csc(CNC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c1 1615589571 YYFNULCJOIWGEE-BONVTDFDSA-N 336.417 1.234 0 40 EDAB Cn1nc(NS(=O)(=O)c2cnc(Cl)n2C)cc1C(F)(F)F 1615570955 FMEAJXWTLOFVHR-UHFFFAOYSA-N 343.718 1.627 0 40 EDAB CC[C@H]1OC2(CCN(C(=O)C3(Nc4ccccc4)CC3)CC2)NC1=O 1615593050 XISDKVCRLDOSTA-OAHLLOKOSA-N 343.427 1.875 0 40 EDAB COc1ccc(COCC(=O)N[C@@H]2CCC[C@@H]2Cn2ccnn2)cc1 1616032732 SRVQHQKAEJAFSY-NVXWUHKLSA-N 344.415 1.788 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCC(Oc2cccnn2)CC1 96119369 KZHZMEMXZXOEFM-UHFFFAOYSA-N 337.376 1.848 0 40 EDAB CCCS(=O)(=O)N1CCn2cc(CC(=O)NC(C)C)nc2[C@@H]1C 585096313 HUCPFPLYUCWBNH-LBPRGKRZSA-N 342.465 1.067 0 40 EDAB O=C(OCCn1cncn1)c1csc(I)c1 71886738 BTYFRUYAZATXDW-UHFFFAOYSA-N 349.153 1.801 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1cccnc1 43786689 XSWLTGFYHMSTJE-DZGCQCFKSA-N 326.404 1.901 0 40 EDAB C[C@@H](CNC(=O)CCc1nc(-c2ccccn2)no1)CN1CCCC1 55539795 LNRFYMUVUJHWLX-AWEZNQCLSA-N 343.431 1.912 0 40 EDAB Cc1ccccc1OCCNC(=O)Cn1cnc2ccccc2c1=O 55954098 FXROCLYZAWBMDL-UHFFFAOYSA-N 337.379 1.900 0 40 EDAB O=C(CN1CCC[C@@H](C(=O)N2CCOCC2)C1)Nc1ccc(F)cc1 54887034 BQCCBSYKKWYIBW-CQSZACIVSA-N 349.406 1.335 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)n1 72303616 IAUYKSJLNCTASU-KRWDZBQOSA-N 346.406 1.894 0 40 EDAB Cc1noc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)n1 58160343 HMTXPYXSRKODPM-UHFFFAOYSA-N 344.400 1.828 0 40 EDAB C[C@@H](Cc1cccs1)NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 98010456 XCDDGNLAEAHLOF-FZMZJTMJSA-N 347.444 1.517 0 40 EDAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCOCC3)N2)cc1 14162878 JSVNPDPSFJDCOT-OAHLLOKOSA-N 344.415 1.325 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCC1 17357307 QMKMPSGYMCDCKU-NSHDSACASA-N 328.409 1.941 0 40 EDAB CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(C)CC1 19501924 KPZMVPPTNFEQBV-QGZVFWFLSA-N 344.463 1.819 0 40 EDAB C[C@@H](CNC(=O)c1ccccc1Cn1cccn1)N1CCOCC1 19657699 XDRVMHLJRUVTLI-HNNXBMFYSA-N 328.416 1.382 0 40 EDAB Cc1cc(NC(=O)CN2CCC3(CC=CCN(C)C3=O)CC2)no1 19744753 GUCDTCSJCSANTJ-UHFFFAOYSA-N 332.404 1.422 0 40 EDAB CC(C)c1ncc(CN2CCO[C@H](C(=O)N3CCCCC3)C2)cn1 19747184 BHFTXWQDHVFKOV-INIZCTEOSA-N 332.448 1.813 0 40 EDAB O=C(NCC1CC1)C1CN(C(=O)CCN2CCc3ccccc32)C1 19747418 DWVKKPZLGBHMBT-UHFFFAOYSA-N 327.428 1.424 0 40 EDAB COc1cc([C@H]2[C@@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)ccc1O 19771441 NKAAALBAEMIJHC-WNRNVDISSA-N 334.368 1.619 0 40 EDAB CN1CCN(C(=O)/C(=C/c2cccnc2)NC(=O)c2ccco2)CC1 19927773 DDQGOQXGWZLMCB-QINSGFPZSA-N 340.383 1.220 0 40 EDAB CCc1c(C)[nH]c2ccc(C(=O)N(C)C[C@@H]3COC[C@@H](O)[C@H]3O)cc12 643586216 JMCWBFXAMDHHOT-XWIAVFTESA-N 346.427 1.479 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)N1CCN(Cc2ccccn2)CC1 585149816 PKHDWVOCEUSQTF-JKSUJKDBSA-N 344.459 1.134 0 40 EDAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC(=O)NC1CCCC1 3423599 VDOHRVMODLBLDL-UHFFFAOYSA-N 348.794 1.762 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(F)cc1F 7866082 DIPXYPUYSHMQMT-YFKPBYRVSA-N 326.332 1.434 0 40 EDAB Fc1ccc(N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1 1888901072 WMNTXQGBQXFRNZ-UHFFFAOYSA-N 325.351 1.523 0 40 EDAB CCN=c1cc(C)nc(N2CCN(c3ccn4nccc4n3)CC2)[nH]1 1889139196 KRHRSOHOYSNHQM-UHFFFAOYSA-N 338.419 1.008 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912019 CDSWMXDXYBNZFA-KRWDZBQOSA-N 333.363 1.985 0 40 EDAB O=C(c1cncnc1)N1CC[C@@H]2C[C@@]21C(=O)Nc1cccc(F)c1 2056224885 DCQCAPGYRZMPGX-PXAZEXFGSA-N 326.331 1.859 0 40 EDAB O=C(N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1)C1(F)CC1 1614948094 VDPXXZNGKJRCGT-MRXNPFEDSA-N 334.395 1.424 0 40 EDAB CCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2ccccc21 532887 VHVHQCFNQURKCD-OAHLLOKOSA-N 332.385 1.208 0 40 EDAB CC(=O)c1ccc(NC(=O)Cn2nc3c(cc2=O)CCCC3)cc1 12415013 HWAAKQPZGPKTAO-UHFFFAOYSA-N 325.368 1.963 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2cccc(Cl)c2)C1 2055771721 SGSSCPKXOJZSMA-KRWDZBQOSA-N 346.818 1.914 0 40 EDAB CCN(C)C(=O)c1cnc2n1C[C@H](NC(=O)CCc1ccc[nH]1)CC2 2055747097 HNPZWLIKINYOJY-CQSZACIVSA-N 343.431 1.367 0 40 EDAB CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22907367 KRYSYRGSUAKMNL-INIZCTEOSA-N 341.411 1.631 0 40 EDAB Cc1nsc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086875531 XTDNPRJTWMQUFP-JTQLQIEISA-N 332.376 1.309 0 40 EDAB COc1ccc(CCC(=O)NCc2nc(OC)nc(OC)n2)cc1 575607496 NUWAIBCXZDBOFV-UHFFFAOYSA-N 332.360 1.146 0 40 EDAB O=C(NCC[C@H](CCO)c1ccccc1)C(=O)NCc1ccco1 245130868 VBTIRNGMLFHPOO-OAHLLOKOSA-N 330.384 1.568 0 40 EDAB CC(C)c1nn(CC(N)=O)c(=O)c2c1cnn2-c1ccc(F)cc1 13971322 QUWOQHWFCFXZEM-UHFFFAOYSA-N 329.335 1.330 0 40 EDAB NC(=O)c1nnn(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)n1 70999017 PPWJTPQORQSQTO-UHFFFAOYSA-N 344.281 1.292 0 40 EDAB CNC(=O)CN1CCC(NCc2cc3c(cc2OC)C[C@@H](C)O3)CC1 30905735 CQQCNDYRPVSYSG-CYBMUJFWSA-N 347.459 1.319 0 40 EDAB C[C@@H]1CCCCN1C(=O)CCNC1=NS(=O)(=O)c2ccccc21 40459958 DFPHRHAODLFZQW-GFCCVEGCSA-N 335.429 1.516 0 40 EDAB CC(C)[C@@H](CN1C(=O)c2ccccc2S1(=O)=O)N1CCOCC1 40496864 HTJGUTQXCQMSIN-CQSZACIVSA-N 338.429 1.188 0 40 EDAB C[C@H](NC(=O)NCCCNS(C)(=O)=O)c1cc2ccccc2o1 40498438 HQHVBNYWVGWFJQ-NSHDSACASA-N 339.417 1.732 0 40 EDAB CCC[C@H](C)N(C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 40515552 IJOJUTCTSKKLJI-LBPRGKRZSA-N 337.445 1.762 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)NC(=O)CCC1CCCC1 40556048 PCCAMQHGFJUZKO-UHFFFAOYSA-N 343.405 1.362 0 40 EDAB COc1c2c(c(NC(=O)[C@@H]3CCCO3)c3c1OCO3)CCN(C)C2 32124029 LSVYKTHRGFAZHW-LBPRGKRZSA-N 334.372 1.529 0 40 EDAB biogenic CN(C)c1ncccc1CNC(=O)[C@H]1CCCN(c2cnccn2)C1 32690575 JEZBPDMJEIGHSW-HNNXBMFYSA-N 340.431 1.470 0 40 EDAB O=C(NCCC(=O)N1CCCC1)c1cnn(Cc2ccccc2)c1 32748135 SAEUAMYIZDSNAM-UHFFFAOYSA-N 326.400 1.674 0 40 EDAB COc1ccc([C@@H](O)CN2CCC(C(=O)NC3CC3)CC2)cc1F 52863789 AJLNULAPXHKJAF-INIZCTEOSA-N 336.407 1.858 0 40 EDAB CCC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1 12418400 AZMWGTVWXKWZLO-UHFFFAOYSA-N 343.387 1.462 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)C2(c3ccccc3)CC2)n1 78210546 HRPCCDWTSDBGPJ-UHFFFAOYSA-N 333.413 1.598 0 40 EDAB Cc1nccn1C[C@H](C)CNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 78923473 IOFVDIWXEXMADF-TZMCWYRMSA-N 335.452 1.526 0 40 EDAB O=C1COc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2N1 22589492 OQMCSIWZLFJEGR-UHFFFAOYSA-N 337.379 1.980 0 40 EDAB Cc1cc(NC(=O)CN(C)[C@H]2CCN(c3ccccc3F)C2=O)no1 79028049 MRUKCMZIKCGZSA-AWEZNQCLSA-N 346.362 1.798 0 40 EDAB COCCNC(=O)c1ccc(NC[C@H](c2ccco2)N(C)C)nc1 79029363 UDVPWHGLAHFVLI-CQSZACIVSA-N 332.404 1.766 0 40 EDAB C[C@@H](OC(=O)C1CCC1)C(=O)N1CCN(c2ccccc2O)CC1 42125046 XLYRZVPSSZXGBM-CYBMUJFWSA-N 332.400 1.773 0 40 EDAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 4069821 ISFABLIRQRFFGX-WEDXCCLWSA-N 326.245 1.881 0 40 EDAB CC(C)c1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 4270160 PBGMONRFPQNYDY-UHFFFAOYSA-N 337.401 1.008 0 40 EDAB C[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)OCCCO2 42346759 JIXWQVWFIQXTFV-LBPRGKRZSA-N 347.415 1.816 0 40 EDAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCNC(=O)CC1 54257929 YXESZTLJYHJQRK-JTQLQIEISA-N 329.322 1.854 0 40 EDAB CN(C)c1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1Br 6949293 VJCXTJIRFQVTPK-UITAMQMPSA-N 337.177 1.617 0 40 EDAB Cc1ncsc1CCN1CCO[C@@H](CN(C)c2cccnn2)C1 84065692 SWJFNLNLCYQWBC-AWEZNQCLSA-N 333.461 1.621 0 40 EDAB CNC(=O)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 8423982 KXWVBSMPJVMJDA-UHFFFAOYSA-N 332.381 1.702 0 40 EDAB Cc1nn(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c(=O)c2ccccc12 54864823 ZHJJWJHBZIAEDC-AWEZNQCLSA-N 347.440 1.314 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1C[C@H](O)COCc1ccccc1F 24209830 RUKFTRNJRMQREJ-ZDUSSCGKSA-N 336.363 1.568 0 40 EDAB O=C(c1ccsc1)N1CCN(c2nnnn2-c2ccccc2)CC1 24776015 CZIUUDMJFZLTTP-UHFFFAOYSA-N 340.412 1.686 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 106648447 DSNFOXLJTBFUJU-YHUYYLMFSA-N 335.448 1.056 0 40 EDAB C[C@]12CCC(=O)N1[C@H](C(=O)NCC(=O)OCc1ccccc1)CS2 25368274 PQVDWVXSXIXUNW-GUYCJALGSA-N 348.424 1.300 0 40 EDAB CCCc1nnc(NC(=O)N2CCN(c3cnccn3)CC2)s1 43555576 OQFAFVWXUSJZEB-UHFFFAOYSA-N 333.421 1.635 0 40 EDAB CCOc1ccc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1OC 107502340 WNWVSDZKALYDGF-KGLIPLIRSA-N 336.432 1.621 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2cccc(Cn3cccn3)c2)CC1 57259757 OOQKMBXRVJEQJU-UHFFFAOYSA-N 341.415 1.338 0 40 EDAB COC[C@@H](C)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 57332209 JCGCQXPCKQPTJI-CYBMUJFWSA-N 325.840 1.613 0 40 EDAB CCOC(=O)c1c(CN2CCNC(=O)C2)nc2ccccc2c1C 57450372 QWIKINFMFNOJEM-UHFFFAOYSA-N 327.384 1.652 0 40 EDAB CCCCn1c(=O)c2sccc2n(CC(=O)N(CC)CC)c1=O 57427107 YABMSPQCNNJUEK-UHFFFAOYSA-N 337.445 1.893 0 40 EDAB CCN(CC)C(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O 57507193 ATEYZWTYNLHUCV-UHFFFAOYSA-N 340.387 1.503 0 40 EDAB Cc1ccc(CCNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 108457341 XLRPJWMJLZNSFL-CWLKWCNXSA-N 338.407 1.461 0 40 EDAB Cc1cc([C@H](C)NC(=O)C2CCN(S(N)(=O)=O)CC2)c(C)s1 25015382 XSBRBSBOKKDNAK-JTQLQIEISA-N 345.490 1.458 0 40 EDAB CC(C)(C)c1nc(CN2CCCC[C@H]2CCNS(C)(=O)=O)no1 48299902 FWVSAJCHJTWSEJ-LBPRGKRZSA-N 344.481 1.661 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCCN(C(C)=O)CC2)c(C)c1 44915160 FNODSKYYOMZAQY-UHFFFAOYSA-N 340.445 1.555 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 108418719 MDGHRGKPIQKICQ-JLZZUVOBSA-N 334.391 1.983 0 40 EDAB CS(=O)(=O)CCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 62223474 AOFRJLQCTUYCIZ-ZDUSSCGKSA-N 331.821 1.675 0 40 EDAB CCN(CC)S(=O)(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 58390639 IPXTWTBGJGVHFP-CQSZACIVSA-N 341.477 1.698 0 40 EDAB Cc1cccc(NC(=O)CCNC(=O)CNC(=O)c2ccccc2)n1 58367877 LDXVOUHNYPOSQE-UHFFFAOYSA-N 340.383 1.265 0 40 EDAB COC(=O)c1ncn(CN2CCC[C@H]2c2ccc(OC)cc2OC)n1 58356582 IDHWRVIAAJOMJG-AWEZNQCLSA-N 346.387 1.877 0 40 EDAB Cc1nc2ccccc2c(=O)n1CCC(=O)N[C@@H](C)[C@H]1CCCO1 27908368 KUOSZGKQZPDZHV-BLLLJJGKSA-N 329.400 1.779 0 40 EDAB COCCN1CCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 58403271 WRWPZNZEMSJLHS-KRWDZBQOSA-N 335.423 1.409 0 40 EDAB C[C@H](NC(=O)COCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCO1 23196530 VNWZXJSEXNRIQW-FZMZJTMJSA-N 331.372 1.123 0 40 EDAB O=C(CN1CCN(C(=O)c2ccccn2)CC1)Nc1ccc(F)cc1 36389884 YBJNBPGFYYCJFH-UHFFFAOYSA-N 342.374 1.617 0 40 EDAB CCOc1cc([C@@H]2c3c(C)nnc(O)c3Nc3nnnn32)ccc1O 10298539 KQNXTOPIGUCMKT-CYBMUJFWSA-N 341.331 1.276 0 40 EDAB COc1ccc([C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1OC 2518283 UGANDYWOMZTRQE-OLZOCXBDSA-N 341.360 1.715 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCc1ccnc(N2CCCC2)c1 29555940 JCCMLECKFBDJOR-UHFFFAOYSA-N 338.411 1.728 0 40 EDAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O 2657423 KKYCBAHILIFSBO-KRWDZBQOSA-N 327.340 1.363 0 40 EDAB C[C@H](NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccccc1 408654187 JZZLCAIUZAFEQN-VPYCRDMESA-N 343.379 1.605 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)O 71334088 FWIJZIUADHGHTN-BDJLRTHQSA-N 335.404 1.128 0 40 EDAB Cc1cc(CN2CCN(S(=O)(=O)N3CCC[C@H](C)C3)CC2)no1 65449799 RTRCFXIEYGTPAM-ZDUSSCGKSA-N 342.465 1.077 0 40 EDAB O=c1c2ccccc2nnn1CSc1nncn1Cc1ccco1 14084164 QCKUTEXRJWLOQG-UHFFFAOYSA-N 340.368 1.774 0 40 EDAB CCO[C@@H](CC)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 65626518 KCWXGAKQZMACNG-KRWDZBQOSA-N 347.459 1.262 0 40 EDAB C[C@H](OC[C@H]1CCCCO1)C(=O)NCCc1nnc2ccccn12 65609922 ADMYYMLMCVUHDO-UONOGXRCSA-N 332.404 1.362 0 40 EDAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCCN(CC(F)(F)F)CC1 84338765 HABSYPMQZBSGAJ-UHFFFAOYSA-N 343.349 1.574 0 40 EDAB Cc1cc(C)c(CS(=O)(=O)[C@H](C)C(=O)N2CCOCC2)c(C)c1 67225788 GLNJXBCVTUCBLR-OAHLLOKOSA-N 339.457 1.774 0 40 EDAB Cn1cccc1C(=O)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 9497863 XIAIPMOKFHYLID-UHFFFAOYSA-N 344.762 1.289 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1CC 9494585 YFOUIVBBTGYKFR-JTQLQIEISA-N 348.432 1.686 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N[C@@H]1CCC[C@@H]1n1ccnc1 71795579 QLKSULMIZAQQNY-CABCVRRESA-N 339.461 1.840 0 40 EDAB CCOc1ccc(/C=C/C(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)cc1 72293431 MRXRTYPOHGQIAK-PPYMECGQSA-N 337.441 1.992 0 40 EDAB O[C@@H](CNCCc1nnc2ccccn12)c1ccc2c(c1)OCO2 69157787 CTDHDELIGTUAKF-ZDUSSCGKSA-N 326.356 1.324 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)n1 70017230 JLUJWBMXUOLJKS-HNNXBMFYSA-N 338.415 1.936 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)c1 71865867 YDZQLBRJIFBMRS-DLBZAZTESA-N 344.459 1.831 0 40 EDAB O=S1(=O)CC[C@H](N(CCn2cccn2)Cc2cccs2)C1 71824694 RIJGMHYMSMYVKT-ZDUSSCGKSA-N 325.459 1.634 0 40 EDAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 69558204 OKZHXNOYGYTNOE-YOEHRIQHSA-N 346.427 1.837 0 40 EDAB CN(C)[C@H]1CC[C@@H](NC(=O)NCCNC(=O)CC2CCCCC2)C1 91765054 UQESVDAWFBZTFJ-CVEARBPZSA-N 338.496 1.855 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@@H]2Cn2nc(C)cc2C)ccc1=O 71870038 DICGHYIKTHLSIL-OAHLLOKOSA-N 343.431 1.771 0 40 EDAB COc1ccccc1CC(C)(C)NC(=O)CCN1C(=O)CCC1=O 69670075 IBGWMWBLZDJJDE-UHFFFAOYSA-N 332.400 1.672 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc[nH]2)C1=O 71818713 GKBOHSWSLPGFCP-GUYCJALGSA-N 330.388 1.399 0 40 EDAB CC(=O)N1CCC(NC(=O)CN(C[C@H](C)O)C2CCCCC2)CC1 69737174 OMRKDHPGBNHRLE-AWEZNQCLSA-N 339.480 1.129 0 40 EDAB Cc1cccc(C2(C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)CC2)c1 71827104 QVZXZHHAASMPMH-HNNXBMFYSA-N 336.457 1.567 0 40 EDAB COC[C@H](C)N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1 69810643 BIAZCRNAUSRBIL-HNNXBMFYSA-N 329.444 1.900 0 40 EDAB CC(=O)c1ccc(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 69845479 PIEJVGNKIWFLNJ-CYBMUJFWSA-N 343.427 1.314 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCCN(Cc3cscn3)CC2)n1 69898265 SAJZZUCAUNFIBU-UHFFFAOYSA-N 333.461 1.691 0 40 EDAB CCN1CCC(NC(=O)CN2CCCC[C@@H]2Cn2cccn2)CC1 69929718 JTHUMGGYZRGOHB-QGZVFWFLSA-N 333.480 1.338 0 40 EDAB Cc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)c2ccc(F)cc2n1 69981207 GXVUBTRQTGVOTB-CYBMUJFWSA-N 331.391 1.821 0 40 EDAB CC(=O)N1CCC[C@@H](S(=O)(=O)N[C@@H](C)c2ccc(F)c(F)c2)C1 71911198 GJLWSTHXERJPON-GXFFZTMASA-N 346.399 1.956 0 40 EDAB C[C@H](NS(=O)(=O)c1cccs1)c1nnnn1-c1ccccc1 71909139 ZWRBORPQEWNDGK-JTQLQIEISA-N 335.414 1.763 0 40 EDAB CCc1oc(C(=O)N2CCN(C(=O)c3cnccn3)CC2)cc1C 95415061 XTKXWUTYWPDQGW-UHFFFAOYSA-N 328.372 1.539 0 40 EDAB Cc1nn(C)c(C)c1C(=O)Nc1c[nH]cc(Br)c1=O 95446450 GLKPELNGYDXIJL-UHFFFAOYSA-N 325.166 1.740 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 95994984 BUCFBZJGPWFNRP-HNNXBMFYSA-N 334.445 1.941 0 40 EDAB CCc1onc(C)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 89394887 WOIYSBOPWILRIX-LBPRGKRZSA-N 328.372 1.928 0 40 EDAB Cc1ccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c(=O)[nH]1 75118606 HDLVQUBDDGHWGU-UHFFFAOYSA-N 330.369 1.254 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cc(C(F)(F)F)c[nH]c1=O 75118041 FQIDEMZIUOOQBN-ZETCQYMHSA-N 338.307 1.157 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCc2nnc(N(C)C)cc2C1 75129103 XRKSLNZBVWJXMC-UHFFFAOYSA-N 328.420 1.020 0 40 EDAB O=C1[C@@H](n2c(-c3ccccc3)noc2=O)CCN1CC(F)(F)F 89853201 IWMCIZNEHBWIOD-JTQLQIEISA-N 327.262 1.839 0 40 EDAB CCN(C)[C@@H](C(=O)N[C@H]1Cc2cccnc2NC1=O)c1ccccc1 1548800997 JTPRUNZXNWSNAL-JKSUJKDBSA-N 338.411 1.754 0 40 EDAB COc1cccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)c1 26098020 ZSJFMEWFCCBPJW-VOTSOKGWSA-N 338.429 1.249 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC(C)C)cc1 408607754 QHOITBBGVUDLIL-UHFFFAOYSA-N 328.434 1.621 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)c3ccc4nccn4c3)CC2)S1 73118449 PZNHTJIOPPPOQO-GFCCVEGCSA-N 329.429 1.583 0 40 EDAB CC(C)COc1cccc(CNC(=O)NC[C@@H]2CN(C)CCN2C)c1 78925147 WXTTYQMURZNRAJ-QGZVFWFLSA-N 348.491 1.766 0 40 EDAB C[C@@H]([C@@H](C)N(C)C(=O)NCCc1ccc(F)cc1F)S(C)(=O)=O 79098701 YAXCUYQZYVBBSX-MNOVXSKESA-N 348.415 1.970 0 40 EDAB Cc1cc(C)nc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1 32501859 GMJMRPCKGBZUDH-UHFFFAOYSA-N 347.400 1.085 0 40 EDAB Cn1cc(CN2C(=O)C[C@@H](C(=O)O)[C@@H]2c2ccc3c(c2)CCO3)cn1 69492036 FEYOWCWFKCKUQM-PBHICJAKSA-N 341.367 1.529 0 40 EDAB CC(=O)Nc1ccc(N2CCN(CCN3CCOCC3)CC2)cc1 36125955 ZILXCADHQDEIEF-UHFFFAOYSA-N 332.448 1.099 0 40 EDAB CCc1ccsc1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 78028765 JGQWPJFPPNMCAA-UHFFFAOYSA-N 327.431 1.804 0 40 EDAB O=C(NCC(F)(F)F)C(=O)NC[C@@](O)(c1ccccc1)C1CC1 70969106 VWAHUIJZQDDPNO-CQSZACIVSA-N 330.306 1.079 0 40 EDAB CC(C)c1nccn1CCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 74034371 CHIBLMOFVKOJTH-GJZGRUSLSA-N 332.448 1.723 0 40 EDAB CN1CC[C@H](c2nn(CCNC(=O)C(C)(C)C)c3nccnc23)C1 72391637 XNFAEOAVQPOYRB-LBPRGKRZSA-N 330.436 1.408 0 40 EDAB CNC(=O)c1cn[nH]c1[C@@]1(C)CCCN(CC2(O)CCCCC2)C1 72388821 VYIKXJXSXNODIG-KRWDZBQOSA-N 334.464 1.818 0 40 EDAB COc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)ncn1 77198997 SOFLYTKRCXGLPQ-JTQLQIEISA-N 330.319 1.616 0 40 EDAB O=C(NCCc1ccccc1)[C@@H]1COCC(=O)N1Cc1ccccc1 70641363 RICJTTFGNPCTMH-SFHVURJKSA-N 338.407 1.773 0 40 EDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)Cc3cccs3)C2)nn1 225444957 VBCCZBBQQXDCJW-GFCCVEGCSA-N 332.429 1.827 0 40 EDAB O[C@@H]1CCN(Cc2nc(C3(O)CCN(C4CCC4)CC3)cs2)C1 225422181 MCGCCFOXHDVIMH-CQSZACIVSA-N 337.489 1.546 0 40 EDAB biogenic,in-vitro COc1ccc(OCc2noc(CNC(=O)c3cnccn3)n2)cc1 49027427 DFMAYHYOJBMGDI-UHFFFAOYSA-N 341.327 1.377 0 40 EDAB CCn1cc(CNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)c(C)n1 41546040 CDSHMKXFMFVFMS-QGZVFWFLSA-N 328.372 1.617 0 40 EDAB Cn1ncc(C(=O)NC[C@](C)(O)c2cccs2)c1-n1cccc1 80878919 CRSPPQAWMVSSTR-INIZCTEOSA-N 330.413 1.910 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(N)(=O)=O)cc1 42618530 QJELURSUJAZKKO-UHFFFAOYSA-N 346.408 1.936 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc(F)cc3)C2)nn1 225440814 IDLSXDVIWGMRNI-CQSZACIVSA-N 346.362 1.987 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(CC1CCOCC1)CC2 96061537 CONZULOVBPCHOK-QGZVFWFLSA-N 346.475 1.627 0 40 EDAB Cc1c(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccs2)cnn1C 96181100 RKVSSYLSGCTDTB-WFASDCNBSA-N 332.429 1.626 0 40 EDAB Cc1[nH]ncc1S(=O)(=O)NC[C@H](c1c(F)cccc1F)N(C)C 96406697 NULPHWUZYSNCSK-GFCCVEGCSA-N 344.387 1.578 0 40 EDAB O=C(CCn1cncn1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 96455995 BFGNJHZSXPLPNX-ZDUSSCGKSA-N 333.779 1.243 0 40 EDAB CNC(=O)NC[C@H]1CCC2(CCN(c3ncc(C)cn3)CC2)CO1 96224966 FMASIMITNQJAGM-CQSZACIVSA-N 333.436 1.480 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)CO[C@@H](COc1ccccn1)C2 96106236 QELBCLJAWPLENO-CYBMUJFWSA-N 326.418 1.291 0 40 EDAB NC(=O)[C@@H]1CCC[C@H]1NC(=O)COc1ccccc1Br 96486529 RWECDUJWUAIYEM-MWLCHTKSSA-N 341.205 1.598 0 40 EDAB CCN(CC1(O)CCS(=O)(=O)CC1)[C@H](C)c1cccc(O)c1 330369579 YLRDHTHFFNWTNG-CYBMUJFWSA-N 327.446 1.715 0 40 EDAB O=S1(=O)CCCN(c2nc(-c3ccccn3)nc3c2CCC3)CC1 96413742 WJFNJKNPNZBYTK-UHFFFAOYSA-N 344.440 1.652 0 40 EDAB C[C@@H]1N(c2cccnc2)C(=O)COC12CCN(C(=O)CC1CC1)CC2 96201607 QJKMOFVISGWGKI-AWEZNQCLSA-N 343.427 1.995 0 40 EDAB CCOCC(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159741 MCXQZVFNDCFJPK-SFHVURJKSA-N 334.391 1.813 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CC[C@]2(O)CCCC[C@H]2C1 95475947 BJEHFCFOIMOFDF-ORAYPTAESA-N 341.411 1.619 0 40 EDAB Cn1cccc1C(=O)N1CCC2(CC1)NC(=O)C[C@H]2c1cccnc1 96199721 HXBUXDUKGROPEY-HNNXBMFYSA-N 338.411 1.699 0 40 EDAB O=C(CCOc1cccc(Cl)c1)N1CC[C@@](O)(c2cnn[nH]2)C1 583618224 SVYXFRRORJAYFG-HNNXBMFYSA-N 336.779 1.347 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCO1 583650538 FYJRGSUOPQNHPR-ZDUSSCGKSA-N 343.339 1.540 0 40 EDAB O[C@]1(c2cnn[nH]2)CCCN(Cc2cncc(Br)c2)C1 583617538 PHIGFULFUCXPHX-CYBMUJFWSA-N 338.209 1.446 0 40 EDAB O=C(NCCc1ccco1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95478278 RFKIMMHJYOUGRW-GFCCVEGCSA-N 338.367 1.868 0 40 EDAB COCCOCCCNc1nccnc1NCCCOCCOC 584908627 RQJDQKWTJPFHQL-UHFFFAOYSA-N 342.440 1.407 0 40 EDAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O 242473274 FEULHMJOOJEMCV-BZPMIXESSA-N 331.434 1.645 0 40 EDAB O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 585088787 STPHAWVNPAJIHL-MANSERQUSA-N 343.471 1.913 0 40 EDAB O=C(C1CCOCC1)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247877787 ULPSVGSLIPUIPZ-AWEZNQCLSA-N 346.431 1.323 0 40 EDAB CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)CC1=O 245338643 NLPZMWZSOHXYSO-JHJVBQTASA-N 349.397 1.634 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccnnc2)Cc2c1cnn2CC1CC1 247909290 XVKMHKJXVPZMLN-AWEZNQCLSA-N 327.388 1.469 0 40 EDAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cccnc3OC)C2)c1F 240104321 UPXLQQDGMZWSFX-NSHDSACASA-N 346.362 1.875 0 40 EDAB CC(=O)N1CCN(Cc2cccc(F)c2F)C[C@H](C(=O)N(C)C)C1 257212899 CFJUTCPULLDYQG-AWEZNQCLSA-N 339.386 1.333 0 40 EDAB COCC(=O)N1CCC(c2cc(-c3ccnn3C)nc(C)n2)CC1 257227902 FRMVEYAUYCXLSL-UHFFFAOYSA-N 329.404 1.538 0 40 EDAB O=C(COc1ccccc1F)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257230901 GELLVEOYXQLLCJ-GJZGRUSLSA-N 333.363 1.626 0 40 EDAB NC(=O)c1cccc(C[C@H]2COCCN(Cc3cccs3)C2)n1 257221587 DPTDHZWMBYZRLX-CYBMUJFWSA-N 331.441 1.933 0 40 EDAB O=C(c1cc2c(nc1O)CCCC2)N1CCO[C@@H](c2cnccn2)C1 257223763 DYSFVWYRLXKATA-MRXNPFEDSA-N 340.383 1.670 0 40 EDAB Cc1cc(C)nc(C[C@H]2COCCN(C(=O)c3nccn3C)C2)n1 257279689 OHSZFRBTTWVVEF-CQSZACIVSA-N 329.404 1.158 0 40 EDAB O=C(CCN1CCCC1=O)NCc1cnc([C@H]2CCCCO2)nc1 257291214 QGDKVSYVEUVWAY-CQSZACIVSA-N 332.404 1.347 0 40 EDAB Cc1cnc([C@@H]2CN(Cc3cccc(OCCO)c3)CCO2)cn1 257217640 CZXCMILKLOYPRC-SFHVURJKSA-N 329.400 1.730 0 40 EDAB Cc1nccc(C[C@H]2CC[C@@H]3CN(C(=O)c4ccnn4C)C[C@@H]32)n1 257200623 AECMFHNCPMZOCN-IIAWOOMASA-N 325.416 1.859 0 40 EDAB NC[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 252513872 AMPDDUOBEOSGMI-XHSDSOJGSA-N 336.844 1.936 0 40 EDAB Cc1cc(C)n(CC(=O)NCc2cnc([C@@H]3CCCCO3)nc2)n1 257309473 UBBKKNWYADWEET-HNNXBMFYSA-N 329.404 1.848 0 40 EDAB Cc1cccc(C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H](O)[C@@H]2O)n1 257229724 FZGAKNIXSAXSCG-VDHUWJSZSA-N 342.395 1.452 0 40 EDAB Cc1cc(OC[C@@]2(O)CN(C3CCOCC3)CC[C@@H]2O)ccc1F 585284550 YAIYSWSBYWMIIT-ROUUACIJSA-N 339.407 1.490 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)N(C)Cc1nnc2n1CCC2 65447403 YOMWRJHYWNIZAF-UHFFFAOYSA-N 344.419 1.748 0 40 EDAB NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 69452577 MVYFWMFZLHQPGG-JKSUJKDBSA-N 337.379 1.644 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)Nc1ccnn1C1CCCC1 71871733 MLPYESONLGGUJX-GFCCVEGCSA-N 329.408 1.133 0 40 EDAB C[C@@H](NC(N)=O)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 56094811 VHEOSKZXAWBPOR-SNVBAGLBSA-N 340.374 1.102 0 40 EDAB CC[C@H]1CN(Cc2nccn2CC(F)(F)F)CCN1C[C@@H](C)O 72279814 QINKEOVBLWPGSR-OLZOCXBDSA-N 334.386 1.722 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 72235069 MMCULGUUETZMLK-WBVHZDCISA-N 339.399 1.419 0 40 EDAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@H]1CCS(=O)(=O)C1 84640691 QVKKRMVSHWGMAN-AAEUAGOBSA-N 326.418 1.152 0 40 EDAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 76046195 XRTYUPDCCCYENX-CYBMUJFWSA-N 346.435 1.679 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1COc2ccc(Cl)cc2C1 40467907 MNNKBZSMZJZOFF-ZYHUDNBSSA-N 329.805 1.194 0 40 EDAB Cc1cccc(N(CC(C)(C)C)C(=O)CN(C)S(C)(=O)=O)n1 585124696 NPDIFJPCEQPUCF-UHFFFAOYSA-N 327.450 1.661 0 40 EDAB CC(C)n1cc(Br)cc1C(=O)N1CCOC[C@H]1C(=O)O 88375973 MOFHIMAMXKVUTK-NSHDSACASA-N 345.193 1.757 0 40 EDAB O=C(Cn1c(=O)n(Cc2ccco2)c2ncccc21)Nc1ccccn1 12117588 NYIGSGSFDASTQR-UHFFFAOYSA-N 349.350 1.873 0 40 EDAB CCCC(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 12242074 USJPCKAUNLGCEO-UHFFFAOYSA-N 329.400 1.550 0 40 EDAB COC(=O)[C@]1(O)[C@H](C(=O)C2CC2)[C@@H](c2ccccc2)NC(=S)N1C 12699634 NJWNJQWKUCKLKF-OGHNNQOOSA-N 348.424 1.005 0 40 EDAB CCOC(=O)N1CCN(/C=C2\N=C(c3ccccc3)OC2=O)CC1 16739847 MLTKGTPYWHYBSS-OWBHPGMISA-N 329.356 1.606 0 40 EDAB Cc1ccc2occ(CN3C[C@@H]4C[C@@H](O)CN4C[C@@H]3C)c(=O)c2c1 19219819 DJUKZDXNQNBIMR-CWRNSKLLSA-N 328.412 1.741 0 40 EDAB Cc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(C)n1C[C@H]1CCCO1 8334347 JLLZGRBBBPZPOO-HRYODUOUSA-N 347.440 1.540 0 40 EDAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC1 156779079 ZVFQXUXWYWSDFO-UHFFFAOYSA-N 346.836 1.453 0 40 EDAB CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(OC)c2ccccc12 106894326 XPCDDKONAGENRP-CQSZACIVSA-N 348.424 1.748 0 40 EDAB COc1ccnc(NCc2nnc3n2CC[C@H](C(F)(F)F)C3)n1 585149453 SXGCFOVXBCWIAE-QMMMGPOBSA-N 328.298 1.814 0 40 EDAB C[C@@H](OC(=O)c1cnccn1)C(=O)Nc1ccc2c(c1)OCCO2 6486268 BLMDCEJLQMCBQO-SNVBAGLBSA-N 329.312 1.432 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(Cc2cc(F)ccc2F)CC1 1888906303 VNUNYAPQAVABPC-ZDUSSCGKSA-N 325.403 1.996 0 40 EDAB O=C([C@@H]1CN(Cc2cn3ccccc3n2)CCO1)N1CCSCC1 1889119599 VQODDNKHHWWRFV-HNNXBMFYSA-N 346.456 1.111 0 40 EDAB CCOC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 16222438 HCEYYABCXBVDGD-UHFFFAOYSA-N 326.418 1.714 0 40 EDAB COc1cc(C(C)=O)ccc1OCC(=O)N(C)Cc1cnn(C)c1 24473032 WEXMVMSNQRRWTL-UHFFFAOYSA-N 331.372 1.669 0 40 EDAB COc1cccc(O[C@H]2CCN(Cc3cnn(C)c3)CC[C@@H]2O)c1 2037849790 KICXMXITMQSOHZ-ROUUACIJSA-N 331.416 1.833 0 40 EDAB c1nc(N2CC[C@@H](COc3ccc4nccn4n3)C2)c2nc[nH]c2n1 2087063152 XGRHLKIYYCJKRG-LLVKDONJSA-N 336.359 1.301 0 40 EDAB CN(C)CCN1CCCC12CCN(C(=O)CCc1ccc[nH]1)CC2 1565545558 JZWSZAUEPMSUAR-UHFFFAOYSA-N 332.492 1.966 0 40 EDAB CCC(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1 4328437 QXWUVBUYASRXTL-UHFFFAOYSA-N 326.403 1.888 0 40 EDAB COc1ccc2oc(=O)c(-c3nc(-c4nonc4N)no3)cc2c1 6868072 FOILMCLWNWQPNX-UHFFFAOYSA-N 327.256 1.484 0 40 EDAB O=C(NCCn1ncc2c(N3CCCC3)ncnc21)c1ccco1 11024059 BYCZHHZCTVRLGF-UHFFFAOYSA-N 326.360 1.450 0 40 EDAB Cn1c(=O)c2c(NCCc3c[nH]c4ccccc34)ccnc2n(C)c1=O 22767846 NXLADKJMUDHPBL-UHFFFAOYSA-N 349.394 1.768 0 40 EDAB CC(=O)N(C)C1CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1 1775970327 BURXZGCPABOJMR-UHFFFAOYSA-N 340.362 1.597 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)CN1CC(c2nc(C)no2)C1 49482597 TWKILCCUGZHCHL-UHFFFAOYSA-N 344.371 1.593 0 40 EDAB Cc1cc(C)n([C@H](CNS(=O)(=O)c2cn(C)cn2)c2ccco2)n1 585370204 MNMKORXGLCRGJD-CYBMUJFWSA-N 349.416 1.394 0 40 EDAB Cc1cc(C)nc(N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)n1 2298042995 YOWASRFNTGQIAQ-UHFFFAOYSA-N 328.420 1.708 0 40 EDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1ccc(Cl)cc1 12389794 ZEVKGUICWCSMHM-UHFFFAOYSA-N 331.763 1.951 0 40 EDAB Cc1ccc(-c2noc(CS(=O)(=O)Cc3nc(C)no3)n2)cc1 40106235 QQBZRFVSKLVEFU-UHFFFAOYSA-N 334.357 1.851 0 40 EDAB C[C@@H](C(N)=O)S(=O)(=O)Cc1coc(-c2ccc(Cl)cc2)n1 40528658 PPGQUQPCXYGKRA-QMMMGPOBSA-N 328.777 1.784 0 40 EDAB COC(=O)c1cc(CN(C)Cc2cc(=O)n3nccc3[nH]2)oc1C 101211267 YFOABHTYUIUYEN-UHFFFAOYSA-N 330.344 1.343 0 40 EDAB Cc1ccc(-n2cc(C(=O)NCCCN3CCOCC3)nn2)cc1 32486381 IHYLNNMUPOOKBK-UHFFFAOYSA-N 329.404 1.028 0 40 EDAB O=C(CCN1C(=O)CCC1=O)NCc1ccccc1OC(F)F 32885718 LJZOPMGGIKGTAC-UHFFFAOYSA-N 326.299 1.443 0 40 EDAB Cc1ccc(C)c(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)c1 32876448 PVYNFDXJYUDXIU-UHFFFAOYSA-N 327.384 1.820 0 40 EDAB Cc1noc(C)c1C(=O)NCc1ccccc1S(=O)(=O)N(C)C 21633635 XNVMLFPNOKCACR-UHFFFAOYSA-N 337.401 1.472 0 40 EDAB CON(C)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 32978640 UYWOUWFVCUVTDW-UHFFFAOYSA-N 326.418 1.885 0 40 EDAB CCOC(=O)N1CCN(C(=O)C[C@H](NC(C)=O)c2ccccc2)CC1 32999914 HMWRWIXZSIGELF-INIZCTEOSA-N 347.415 1.555 0 40 EDAB COCCNC(=O)CNC(=O)c1cc(F)cc(Br)c1 32930890 RPUZJPIXBVPWKM-UHFFFAOYSA-N 333.157 1.081 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 52938906 SBIKYLADXMYCMW-GFCCVEGCSA-N 335.429 1.569 0 40 EDAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CC(N)=O)c3ccccc32)cc1 299950 HUEUIGOMIIGSJF-IBGZPJMESA-N 338.363 1.288 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1nc(-c2ccccc2)ns1 77649469 LKRNXMANKCVQEM-SNVBAGLBSA-N 337.426 1.968 0 40 EDAB CCc1cnc(CN(C)[C@H]2CCN(CC(=O)Nc3cccnc3)C2)o1 78891813 IZORDUAYNLQLOI-HNNXBMFYSA-N 343.431 1.777 0 40 EDAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NCC2(CO)CC2)cc1 79109949 AKERPCCZURZYSB-LJLILKBBSA-N 332.400 1.102 0 40 EDAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccco1 22832608 JMJNYRVKHUBFCE-INIZCTEOSA-N 348.424 1.672 0 40 EDAB CCc1ncnc(NCCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1F 104335552 QAWYPCCJFRTQBF-IMIFBBOLSA-N 344.390 1.787 0 40 EDAB O=C(NCc1ccccc1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 4986754 LQEBVUSYEMWLJW-IAGOWNOFSA-N 339.395 1.970 0 40 EDAB Cn1cc(C(=O)N2CCC(N3CCNC3=O)CC2)c2ccccc21 54318267 GEHJGFHTGAEZKA-UHFFFAOYSA-N 326.400 1.808 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)N1CCCCC1 42675070 DVEYTRFNEUEFBQ-UHFFFAOYSA-N 326.418 1.968 0 40 EDAB NC(=O)N1CCC(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 47648027 HPLRJBZHUZKPJY-HNNXBMFYSA-N 348.447 1.714 0 40 EDAB Cc1nn2c(nc(Sc3nnnn3C)c3ccccc32)c1C=O 3178674 KGGIFQIQEDYXEG-UHFFFAOYSA-N 325.357 1.678 0 40 EDAB COc1ccc(C)cc1NC(=O)CNC(=O)CCCn1cncn1 47828290 DJZLMELDULMDDD-UHFFFAOYSA-N 331.376 1.130 0 40 EDAB CC[C@@H]1CN(CC(=O)N[C@H](C)c2ccccc2C)CCN1C[C@H](C)O 106906624 KCBPDVAVYOULRB-RCCFBDPRSA-N 347.503 1.949 0 40 EDAB Cn1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)cn1 25310583 OPOJMEDHEILJMM-UHFFFAOYSA-N 326.378 1.342 0 40 EDAB Cc1cc(-n2cccc2)ccc1C(=O)N[C@@H](C)C(=O)N1CCOCC1 71184908 QKCNHDASQHZQEY-HNNXBMFYSA-N 341.411 1.763 0 40 EDAB Cc1cc(C(=O)COC(=O)[C@H](C)NC(N)=O)c(C)n1Cc1ccco1 3290791 MCZDSOVRUYUSMW-NSHDSACASA-N 347.371 1.529 0 40 EDAB CCN1C[C@@H](CN(C)c2ccc3nnnn3n2)Oc2ccccc21 12641811 FGEJDBYHEKEIEF-GFCCVEGCSA-N 325.376 1.243 0 40 EDAB CN(C)[C@H](CNC(=O)N[C@H]1COc2ccccc21)c1cnn(C)c1 72287708 JCIQEJRFDHFBCP-LSDHHAIUSA-N 329.404 1.456 0 40 EDAB COc1ccccc1COC[C@@H](O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102891029 VZMRGJQRKIUMBD-JYJNAYRXSA-N 345.395 1.524 0 40 EDAB O=C(Cn1cccn1)NC1CCN(C(=O)c2ccccc2F)CC1 58193873 BGMRMFNFPCDNLU-UHFFFAOYSA-N 330.363 1.443 0 40 EDAB CCOC(=O)C1CCN(C(=O)CN2CCC[C@@H]2c2cc(C)no2)CC1 48287073 WPTDDWFQYRCAFL-OAHLLOKOSA-N 349.431 1.922 0 40 EDAB O=C(NCCCOC[C@H]1CCCO1)NCc1nnc2ccccn12 48262588 PNTHARNQQTVEHW-CYBMUJFWSA-N 333.392 1.114 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NC1CCN(c2ncccn2)CC1 48275435 QAEOXPKZVMGDLG-CYBMUJFWSA-N 329.408 1.030 0 40 EDAB CCNC(=O)[C@@H]1CCCN(C(=O)CNC(=O)/C=C/c2ccccc2)C1 58282659 NMWRXSTZPCHAMM-SIFUEBAJSA-N 343.427 1.191 0 40 EDAB COc1ccc(CNC(=O)NC[C@H](O)COCC2CC2)cc1OC 58217705 LHWMGNDJVDTETP-AWEZNQCLSA-N 338.404 1.291 0 40 EDAB O=C(NCC(=O)N1CCOCC1)Nc1ccc(Br)cc1 58292856 CGTAWYNPRGCNKS-UHFFFAOYSA-N 342.193 1.429 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N1CCC[C@H](C(N)=O)C1)=C2 44939222 FCZNHXLOKPQSNJ-ZDUSSCGKSA-N 330.384 1.585 0 40 EDAB Cn1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)cc1=O 44953144 RBOOYDAZOYAUFS-UHFFFAOYSA-N 326.400 1.701 0 40 EDAB CCOC(=O)[C@@H]1C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]1N2C 100544345 DDQLSUNZALBDML-LOWVWBTDSA-N 326.393 1.058 0 40 EDAB O=C(CNC[C@H]1CCCN1c1cccnn1)NCc1ccc(F)cc1 72276714 ULHBHJSDICMXQZ-MRXNPFEDSA-N 343.406 1.491 0 40 EDAB COc1cccc2c1OC[C@H](NC(=O)N1CCC3(CC1)OCCO3)C2 72254823 CQEJHXNGDFQJGZ-CQSZACIVSA-N 348.399 1.547 0 40 EDAB CCC[C@H](C)NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20450040 YIGFEXLZVJDWSH-VMPCVLLUSA-N 328.434 1.989 0 40 EDAB O=C(COCC1CC1)Nc1ncn(CC(=O)N2CCCCCC2)n1 58379980 NJEHIMLTMHHKIV-UHFFFAOYSA-N 335.408 1.046 0 40 EDAB CN1CCN(c2ncccc2CNC(=O)c2ccccc2F)CC1 58305524 ZYLYCHJDMNHKDW-UHFFFAOYSA-N 328.391 1.903 0 40 EDAB COc1ccc(N[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 58271216 OOYSQFTZQMJUQY-YPMHNXCESA-N 326.418 1.141 0 40 EDAB O=C(NCCCc1n[nH]c(=O)[nH]1)[C@@H]1CCOc2ccc(Cl)cc21 97137103 YXGFSPTZBKGCGY-SNVBAGLBSA-N 336.779 1.367 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)c2ccnc(-n3ccnc3)c2)C1 48314812 NYHYNTAGKCYVHS-INIZCTEOSA-N 343.431 1.354 0 40 EDAB CS(=O)(=O)NCCNC(=O)c1ccc(C2SCCS2)cc1 29679508 GDIYGQMLVKMWLW-UHFFFAOYSA-N 346.499 1.444 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)c1cc(=O)[nH]c3ccccc13)CC2 97198777 UAAWKWPLRDNNMP-LLVKDONJSA-N 337.383 1.427 0 40 EDAB Cc1cc(Br)ccc1NC(=O)C[C@@H]1NC(=O)NC1=O 12814134 LFQYYPZVBMBLKF-VIFPVBQESA-N 326.150 1.294 0 40 EDAB COCCN1C(=S)N(c2ccccc2F)[C@@H]2CS(=O)(=O)C[C@H]21 9060739 XJBZZIAHBFHWPY-CHWSQXEVSA-N 344.433 1.045 0 40 EDAB CNC(=O)CC1CCN(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)CC1 72525146 RVUNQODAEMAGIQ-HZPDHXFCSA-N 347.463 1.925 0 40 EDAB CCC(CC)C(=O)NCc1c(C)nn(C)c1N1CCCN(C)CC1 65517213 QLBXMHOJLLKZIM-UHFFFAOYSA-N 335.496 1.923 0 40 EDAB Cc1cc(S(=O)(=O)N2CCNC(=O)[C@H]2C)ccc1Br 65549006 UACVTPKNPCXZOP-SECBINFHSA-N 347.234 1.267 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1c(F)cccc1F 14115238 YATWSHMZMRFZDP-HNNXBMFYSA-N 345.349 1.816 0 40 EDAB CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 5845656 AMCJBJAMLRBNQN-UHFFFAOYSA-N 349.250 1.594 0 40 EDAB O=C(CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CC1)NC1CC1 67132422 LBQLZKJZDFRMFF-IAGOWNOFSA-N 345.418 1.352 0 40 EDAB O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)C1=CCCCO1 96466859 IJPXUNBDPHJQDG-MRXNPFEDSA-N 328.412 1.888 0 40 EDAB C[C@@H](C(N)=O)N1CCN(C(=O)[C@H](C)c2cc3ccccc3o2)CC1 96451301 VNSPRQYJXFKMCW-OLZOCXBDSA-N 329.400 1.554 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)n1 71836487 ZGYINXGRXATJLW-OLZOCXBDSA-N 328.372 1.531 0 40 EDAB CC(C)N(CC(N)=O)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 71810970 VLRXNWDCFFOQRE-LLVKDONJSA-N 327.375 1.680 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)C[C@H]1C=CS(=O)(=O)C1 71847420 JPKJBNSKFUWGCU-RISCZKNCSA-N 335.381 1.066 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CCCC[C@H]1C1OCCO1 69294134 ZSLNDKAOPHSARO-HNNXBMFYSA-N 328.372 1.635 0 40 EDAB CC1(C)C(=O)NCCN1Cc1nc2c(oc3ccccc32)c(=O)[nH]1 69394373 FAJNFNUOLRMXHD-UHFFFAOYSA-N 326.356 1.380 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)/C=C/c2cccs2)CC1 69417802 KCHIHSHRWWLJJG-LLYBFZRZSA-N 333.457 1.702 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)NCCOc1ccc(Cl)cc1 69596548 IRELFISTHJYTGN-CYBMUJFWSA-N 349.822 1.031 0 40 EDAB O=C(NCC1CCCC1)Nc1cnn(C[C@H](O)CN2CCCC2)c1 69698521 LLOIYIZRXNEJPP-MRXNPFEDSA-N 335.452 1.652 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(CC(N)=O)C(C)C 8532765 JXBVXDAWNRIHSL-UHFFFAOYSA-N 343.431 1.623 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@H]1N1CCOCC1 84736100 XEXAYKLOUAHDSJ-CXAGYDPISA-N 343.431 1.151 0 40 EDAB CC(C)c1nnc2n1CCN(CC(=O)N1CCc3sccc3C1)C2 69816620 ODUJXNPKRALYIF-UHFFFAOYSA-N 345.472 1.864 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CCCC[C@H]1Cn1cccn1 69811639 XCASBLBDWMWFIM-INIZCTEOSA-N 337.387 1.554 0 40 EDAB Cn1cc(C(=O)Nc2cccc(Cl)c2Cl)c(=O)n(C)c1=O 96746997 GLIALJMDPRRPSB-UHFFFAOYSA-N 328.155 1.643 0 40 EDAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCC[C@H](n2ccnc2)C1 69921928 HKXFCQGCOWHPRB-HOTGVXAUSA-N 340.431 1.753 0 40 EDAB CCCn1c(S[C@H](C(=O)NC(=O)NC)c2ccccc2)n[nH]c1=O 8824688 QFYMDUKRRBTSJM-NSHDSACASA-N 349.416 1.270 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)N2CCC[C@H]2c2nncn2C)n1 95453669 VPGJFXCJIYNQBO-DOMZBBRYSA-N 345.451 1.811 0 40 EDAB CNS(=O)(=O)[C@H]1CCN(C(=O)CCC(C)(C)c2ccccc2)C1 95436269 OUUPHBCZXAXBCC-HNNXBMFYSA-N 338.473 1.895 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1=O 9833826 MSOPSCJIYCMETC-UHFFFAOYSA-N 349.387 1.711 0 40 EDAB CN1CCO[C@@H](C(=O)NC2(c3ccc(F)cc3F)CCOCC2)C1 95446306 FGCDEWBWCRVDOR-OAHLLOKOSA-N 340.370 1.417 0 40 EDAB Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]2CO)c1 95980069 LGZUDQVPNLCYCR-SNVBAGLBSA-N 334.235 1.903 0 40 EDAB C[C@@H](CCn1cncn1)NC(=O)c1ccc(Br)c(O)c1 95979003 MPLYXZYCQRXNDJ-VIFPVBQESA-N 339.193 1.955 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1=COCCC1 95976942 NNWBJMFTMJLDPJ-FUHWJXTLSA-N 330.428 1.680 0 40 EDAB CCC(O)(CC)CN1CCN(C[C@H](O)COc2ccccc2)CC1 95991059 XQMIIGIIWRKQMQ-KRWDZBQOSA-N 336.476 1.595 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1 95956336 AWCKWILZLVSALN-IAGOWNOFSA-N 343.427 1.162 0 40 EDAB COC(=O)[C@@H](NC(=O)CSc1nnc(S)s1)C(C)(C)C 75091974 LUBSGIACBFZIHX-SSDOTTSWSA-N 335.476 1.623 0 40 EDAB COc1ccccc1[C@H](NC(=O)Cc1cc(C)[nH]n1)c1noc(C)n1 89599121 VFXHEWCCACTKIG-INIZCTEOSA-N 341.371 1.866 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)[nH]c1=O 75117536 FBTTYUUVGFAVGC-LBPRGKRZSA-N 346.408 1.206 0 40 EDAB C[C@@H](CC(=O)c1ccco1)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 89894702 RPEIYPOZWILHMM-STQMWFEESA-N 344.367 1.999 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3Cc4cc(F)ccc4O3)CCO2)n1 76045230 WMHRMYHNGBZPDU-KBPBESRZSA-N 332.335 1.156 0 40 EDAB CCc1nnc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)s1 76065596 LKIMONYRGZVUAZ-UHFFFAOYSA-N 329.385 1.950 0 40 EDAB O=C(CN1C(=O)N/C(=C/c2ccoc2)C1=O)Nc1ccccc1F 409203099 WCIHUMAKJQOQBY-NTUHNPAUSA-N 329.287 1.950 0 40 EDAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCC(NS(C)(=O)=O)CC1 32754383 KBPGJOFEDMXNJV-JTQLQIEISA-N 330.454 1.442 0 40 EDAB Cc1ccc(N2CCN(C(=O)Cc3noc4ccccc34)CC2)nn1 38670537 JKTDOISGYVBOOI-UHFFFAOYSA-N 337.383 1.818 0 40 EDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2ccccc2[nH]c1=O 71195170 HILSTRLZGYNLKJ-AWEZNQCLSA-N 327.340 1.719 0 40 EDAB Cc1onc(C2CC2)c1C(=O)NC[C@@H](O)C(=O)OCc1ccccc1 521394684 FZYVCNAFADRQQD-CQSZACIVSA-N 344.367 1.695 0 40 EDAB CCOc1c(C)cc(S(=O)(=O)NC[C@@](C)(O)COC)cc1C 70655712 YLNDRUPJPCJLOR-OAHLLOKOSA-N 331.434 1.378 0 40 EDAB COCCCNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 33663755 LYDFSYOAELIXMH-NSHDSACASA-N 348.852 1.647 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@@]1(COC)C(N)=S 218585592 KXGCUUZIGAHKCT-YRGRVCCFSA-N 331.434 1.645 0 40 EDAB CCC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCOC 217467172 NBCFVTRWROBNSL-LLVKDONJSA-N 344.433 1.910 0 40 EDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)Nc1cccc(C(N)=O)c1)O2 40779120 RITNGMUBSCGMPZ-SFHVURJKSA-N 339.351 1.822 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(NCCO)nc3ccccc32)C1 49874643 QLOGLPRKMLEISO-OKILXGFUSA-N 330.432 1.945 0 40 EDAB Cc1cccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 44388566 QGXQCDUNUMGENO-UHFFFAOYSA-N 339.438 1.877 0 40 EDAB CCOC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326485 DEBKXGYHLZMXJL-XIKOKIGWSA-N 345.399 1.502 0 40 EDAB C[C@H]1CN(c2ncc3c(n2)CN(Cc2cccnc2)C3=O)C[C@H](C)O1 41122963 WXSDJFLEPQDCFZ-STQMWFEESA-N 339.399 1.641 0 40 EDAB C[C@@H](CS(C)(=O)=O)NC(=O)N1CCc2c(F)ccc(F)c2C1 84439589 QLNHOXWVCQPSIC-VIFPVBQESA-N 332.372 1.466 0 40 EDAB COc1cc(S(=O)(=O)NCCc2c(C)nn(C)c2C)ccc1F 190514484 AFXIJIZBOIEVPS-UHFFFAOYSA-N 341.408 1.706 0 40 EDAB O=S(=O)(NCC(F)(F)F)N1CC[C@@H](Oc2cccc(F)c2)C1 195450946 HCLYTOXYOOBJAL-LLVKDONJSA-N 342.314 1.676 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2cccnc2)cc1 226687186 OAPWNPDNQNGWEJ-UHFFFAOYSA-N 335.385 1.349 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 226687138 POIBNFSGKVLMEJ-ZDUSSCGKSA-N 340.445 1.717 0 40 EDAB CN1C[C@]2(C)CCC[C@@]34[C@@H]5C[C@@H]6CC[C@]5([C@H](O)[C@]6(O)CO)[C@@H](C[C@@H]32)[C@@H]14 85493565 UZVALMFEKMFXEX-UZCJZQEYSA-N 347.499 1.627 0 40 EDAB biogenic,in-vitro Cc1cnc(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c1 332557354 SKLFOESQMKXCQY-UHFFFAOYSA-N 330.363 1.040 0 40 EDAB O=C1CCc2cc(C(=O)N3CCC(n4ccnn4)CC3)c(F)cc2N1 96487033 BYMVIZTWYXDMOF-UHFFFAOYSA-N 343.362 1.779 0 40 EDAB COc1ccc(C(=O)CNC(=O)c2ccc(-n3cnnn3)cc2)cc1 95473295 WYUZOWORMVWYIN-UHFFFAOYSA-N 337.339 1.284 0 40 EDAB O=C(NC[C@H]1Cn2c(-c3ccccc3)cnc2CO1)C1CCOCC1 96296421 KRDSURWHTMPYOE-INIZCTEOSA-N 341.411 1.992 0 40 EDAB biogenic,in-vitro CN(C)CCN1CCOC[C@]2(CCCN(C(=O)c3ccccn3)C2)C1 96228834 NCVBESTXLUWSSL-LJQANCHMSA-N 346.475 1.198 0 40 EDAB CO[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)C1 583651832 UFMNWBKVODPQKI-STQMWFEESA-N 348.465 1.148 0 40 EDAB O[C@@H]1C[C@H](c2ccc(F)cc2)N(c2cc(N3CCOCC3)ncn2)C1 583616310 QNFQOLSWADAGQN-HZPDHXFCSA-N 344.390 1.765 0 40 EDAB COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)nc2ccccn2c1=O 96114931 PLDZYVZJYIHAOV-ZDUSSCGKSA-N 340.335 1.801 0 40 EDAB biogenic Cc1cc(C(=O)N2CC[C@@]3(C[C@@H](Nc4ncccn4)CCO3)C2)on1 96206300 IBNWPYNEECCNHA-SUMWQHHRSA-N 343.387 1.649 0 40 EDAB Fc1cnc(N2CCOC3(CCN(Cc4ccccn4)CC3)C2)nc1 96159071 ZPDZUIQFRRNZOQ-UHFFFAOYSA-N 343.406 1.882 0 40 EDAB Cn1ccnc1CN1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 96239680 RLDDBOSNDXKAFF-MRXNPFEDSA-N 348.401 1.948 0 40 EDAB CN1CCC(NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CC1 96427041 YHQUROYONMXPSW-QGZVFWFLSA-N 335.423 1.409 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(C(=O)C3CC=CC3)Cc3nccn3C2)n1 96188715 RALPSVNTOMABLA-HNNXBMFYSA-N 340.431 1.716 0 40 EDAB COCCNC(=O)[C@@H]1C[C@@H]2CCN(Cc3csc(C)n3)C[C@@H]2O1 96040984 ZATJDQJNOSFVDU-QEJZJMRPSA-N 339.461 1.194 0 40 EDAB CCCCCOCC(=O)NCc1cc(S(N)(=O)=O)ccc1F 584906928 ZMDQALNCRIEUEJ-UHFFFAOYSA-N 332.397 1.296 0 40 EDAB Cc1cccc(N2CCN(C(=O)CN(C)[C@@H]3CCSC3)[C@@H](C)C2)n1 96486751 MNNFYVCZKVCRCE-JKSUJKDBSA-N 348.516 1.864 0 40 EDAB Cc1ccc(C(=O)N2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)cn1 96185049 ORBPIAGGKJDDRI-KSZLIROESA-N 346.427 1.673 0 40 EDAB Cc1ncsc1CN1Cc2ccnn2[C@@H](C(=O)N2CCOCC2)C1 248010905 GAUVIYLIYSKXOA-CQSZACIVSA-N 347.444 1.064 0 40 EDAB COC[C@@]1(C(N)=O)CCCN1C(=O)C[C@@H](C)Cc1cccc(F)c1 585088493 KOBSSDQTGHORIM-SCLBCKFNSA-N 336.407 1.887 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C3CC3)C2)cc1 69601674 OGIWXQQKFXXKRY-CQSZACIVSA-N 336.457 1.922 0 40 EDAB CCOC[C@@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1cccnc1)C2 248159696 XAMOIPMVVSXSPK-CQSZACIVSA-N 339.461 1.203 0 40 EDAB O=C(C[C@@H]1CN(c2ncc(F)cn2)Cc2ccnn21)N1CCCCO1 247882495 WAYOYQSRQKHLEI-CQSZACIVSA-N 346.366 1.318 0 40 EDAB O=S1(=O)CCC[C@@H]1CN1CCN(Cc2ccncc2Cl)CC1 585133353 GESQVXYTTFWXCE-CQSZACIVSA-N 343.880 1.430 0 40 EDAB Cn1nc(C(=O)N[C@H]2CC=CCC2)c(O)c1C(=O)N[C@@H]1CC=CCC1 252509150 YDIGSFALVUYTOY-QWHCGFSZSA-N 344.415 1.803 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ocnc3C)CC2)C[C@@]1(C)CO 257264935 LWPNCWYUWMMZDC-INIZCTEOSA-N 335.404 1.209 0 40 EDAB Cc1cnc(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)nc1-c1ccccc1 252482686 DMANGUPNZAGZTE-LBPRGKRZSA-N 348.428 1.670 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1C(=O)Cc1cccnc1 257279206 OFNILXHXZLOUDA-ZDUSSCGKSA-N 348.428 1.505 0 40 EDAB Cc1cc(N2CC[C@@](O)(CNC(=O)Cc3cccs3)C2)ncn1 257286288 PLAPIZVCCFEJLV-MRXNPFEDSA-N 332.429 1.147 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 257210914 BWRCBEHCLRNJGG-GFCCVEGCSA-N 348.428 1.309 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C)oc1C)C2 253386257 WDHJHDSQLNHYPO-ZDUSSCGKSA-N 341.429 1.562 0 40 EDAB O=C(CCn1ccnc1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257343480 ZTEQZDLARLYXFW-JFIYKMOQSA-N 329.400 1.750 0 40 EDAB CS(=O)(=O)N1CCC[C@H](c2cccc(N3CCOC3=O)n2)C1 257343751 ZUGRKFQFUBFNML-NSHDSACASA-N 325.390 1.177 0 40 EDAB CCOc1ncccc1C(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257283418 OYFPLWQPIRZPDE-RBSFLKMASA-N 330.388 1.561 0 40 EDAB CN(C)C(=O)CN1CC[C@@H](c2c(C(N)=O)sc3ncccc23)C1 257246736 IVOVAVLRRUTWAL-SNVBAGLBSA-N 332.429 1.273 0 40 EDAB CCOc1ccc(-n2nc(C(=O)O)c(N3CCN(CC)CC3)n2)cc1 256046656 HJLHJCRVYIQHED-UHFFFAOYSA-N 345.403 1.506 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)c3cnccn3)CCO2)ccn1 257329801 XLOYUYRPSKOHMF-OAHLLOKOSA-N 341.415 1.411 0 40 EDAB O=C(C1CCOCC1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257316407 VFMCTFFAKALQQX-HNNXBMFYSA-N 332.391 1.108 0 40 EDAB Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)CC2)n1 252551084 TYXNSKKXNYUJPK-KKUMJFAQSA-N 346.431 1.378 0 40 EDAB COC(=O)c1ccc(-c2noc(CN3CCCC[C@@H](O)C3=O)n2)cc1 591650726 AUCMCMAAHYWZHU-CYBMUJFWSA-N 345.355 1.397 0 40 EDAB CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@@H]2COC)c1 1614998608 ORJRSLKXDMWOML-TZMCWYRMSA-N 326.418 1.140 0 40 EDAB C[C@@H]1CC(NS(=O)(=O)c2cc(F)ccc2NCCO)C[C@@H](C)O1 1615046355 ABPLRBMJDUQNNS-GHMZBOCLSA-N 346.424 1.464 0 40 EDAB CN(C)C(=O)c1cccc(Cn2nnnc2N(C)CC2CCC2)c1 1616036034 DXLUWFAYEIWYIW-UHFFFAOYSA-N 328.420 1.660 0 40 EDAB CCOc1ccccc1OCC(=O)N1CCN([C@H](C)COC)CC1 69892504 XWSMKEBBEDJMGW-OAHLLOKOSA-N 336.432 1.643 0 40 EDAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccc(O)nc1 390831903 VVSIKOGMVFQGSO-VIFPVBQESA-N 341.293 1.433 0 40 EDAB CC(C)CN1C(=O)C(=O)N(Cc2ncc(Br)s2)C1=O 390835231 HBHDWXRJYVNKHB-UHFFFAOYSA-N 346.206 1.852 0 40 EDAB COC(=O)CN1CCN(c2ccc(NC(=O)C=C(C)C)cc2)CC1 69810922 RRWUPPUGXYEJGD-UHFFFAOYSA-N 331.416 1.886 0 40 EDAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 575425254 SAOXHJYYBDTFNY-OAHLLOKOSA-N 345.486 1.891 0 40 EDAB O=C(CCCn1cncn1)N1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 585281339 WGKJHBUZANXRDG-WBVHZDCISA-N 346.406 1.650 0 40 EDAB CC(C)NC(=O)[C@H]1CCC2(CCN(C(=O)C3(F)CCC3)CC2)O1 585113411 CCCUDQQFGACTKZ-CYBMUJFWSA-N 326.412 1.943 0 40 EDAB CCN(CCS(C)(=O)=O)Cc1c(OC)cccc1C(=O)OC 585140861 KFSMILLIVOBMQJ-UHFFFAOYSA-N 329.418 1.348 0 40 EDAB CNc1ncc(CN2CC[C@](COc3ccc(C)cc3)(OC)C2)cn1 585275462 CKRKRXMSBNUPAG-IBGZPJMESA-N 342.443 2.497 0 40 EDAB CNc1ncc(CN2CC[C@](COc3ccccc3C)(OC)C2)cn1 585278544 UBZIEMNOFPBKLB-IBGZPJMESA-N 342.443 2.497 0 40 EDAB COc1ccccc1NC(=O)CN1CCC[C@@H](NC(=O)C2CC2)C1 1006513656 DHDJCMOAWNJCSL-CQSZACIVSA-N 331.416 1.624 0 40 EDAB COCCn1cc(NC(=O)NC[C@@H](C)CC2(C)OCCO2)cn1 72305939 WUAHZMKFRBPQRQ-LBPRGKRZSA-N 326.397 1.440 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1nc2ccccc2s1 45031872 FMMUORNEKOAHIY-SECBINFHSA-N 325.415 1.853 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CC(COc2cccnc2)C1 1775995110 CBXGNPGIVHNICT-QGZVFWFLSA-N 326.352 1.759 0 40 EDAB CN(C)c1cc(CNC(=O)NCCc2ccc3c(c2)OCO3)ccn1 48162342 GYZXRWDCIVJAOC-UHFFFAOYSA-N 342.399 1.918 0 40 EDAB NC(=O)CC1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 49392830 NPAYLJCIILOWPC-UHFFFAOYSA-N 340.427 1.919 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)Cn2c(NCCO)nc3ccccc32)C1 49874645 QLOGLPRKMLEISO-KBPBESRZSA-N 330.432 1.945 0 40 EDAB O=C([C@@H]1CCCN1C(=O)C1CC1)N1CCN(c2ccccc2)CC1 73719774 RUUXPPIBJSZCOC-KRWDZBQOSA-N 327.428 1.736 0 40 EDAB O=C(CNc1cc(F)c(F)c(F)c1)N1CCN(C(=O)C2CC2)CC1 75147333 CPKRXKXWYZWDMB-UHFFFAOYSA-N 341.333 1.597 0 40 EDAB O=C(NC1CCN(c2nc3ccccc3s2)CC1)[C@@H]1COCCO1 84603531 SSCBOHXGCDAULD-AWEZNQCLSA-N 347.440 1.797 0 40 EDAB CC(C)(C)CC(=O)N1CCC(NCC(C)(C)S(C)(=O)=O)CC1 89642983 OMNFIVGZYGXEFU-UHFFFAOYSA-N 332.510 1.826 0 40 EDAB CC1(C)[C@@](C)(n2cnc3c(Cl)ncnc32)O[C@](C)(CO)[C@@]1(C)O 95535486 PQCHGVAUEZXVJB-ILXRZTDVSA-N 340.811 1.711 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)no1 40528890 JGAGXJZEFLHMCZ-GMXVVIOVSA-N 328.434 1.791 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)n2nc(-c3cccnc3)ccc2=O)on1 585219513 LCZITYXNPRRKDD-LLVKDONJSA-N 325.328 1.801 0 40 EDAB Cc1nnc2ccc(N3CC(N(C)c4ncnc5ccccc45)C3)nn12 585593211 NCCYTQZQJQMYJP-UHFFFAOYSA-N 346.398 1.701 0 40 EDAB Cc1ncnc(N2C[C@@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)c1C 585613573 AQROLXNWYXPADK-HZPDHXFCSA-N 330.432 1.415 0 40 EDAB CC[C@@](C)(CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)N1CCOCC1 41406163 ATFWWXULJDNRIX-DYVFJYSZSA-N 343.468 1.517 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)NCC1(OCCO)CCCC1 888106874 AKEMLMBNZQEFHE-GQCTYLIASA-N 333.384 1.866 0 40 EDAB Cc1ccc(NC(=O)C(=O)NCC2(N3CCOCC3)CCC2)cc1C 1775974238 NTYHBITTXUILAW-UHFFFAOYSA-N 345.443 1.613 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1 11535509 ZOVMQHVEMAHABY-UHFFFAOYSA-N 332.385 1.768 0 40 EDAB Cc1nc2ccccc2c2nn(CC(=O)N3CCCC[C@@H]3C)c(=O)n12 12144979 JTARGVXLYSQUMY-LBPRGKRZSA-N 339.399 1.754 0 40 EDAB CCN(CC)C(=O)[C@H]1C[C@@H](c2cccs2)NS(=O)(=O)N1C 12159697 YNHPQQDKACBDCO-WDEREUQCSA-N 331.463 1.196 0 40 EDAB COC(=O)C1=CC(=O)CC(C)(C)CC(N2CCCC2)=C1C(=O)OC 18280531 FXJDXOPEVOAPAW-UHFFFAOYSA-N 335.400 1.998 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N(C)N(C)c3ncccc32)C1 19462479 JUAOWABFCMAHKR-CHWSQXEVSA-N 331.420 1.809 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCC(C)(C)N3CCCCC3)nc2n1 19656623 WYQICYRCLHXUII-UHFFFAOYSA-N 330.436 1.735 0 40 EDAB CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)C2 19767313 UIALVMIFEYXOHJ-OAHLLOKOSA-N 341.415 1.466 0 40 EDAB Cc1cccc(OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1C 6993199 KHUKOGTYBCJBRK-UHFFFAOYSA-N 345.399 1.968 0 40 EDAB O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCCO2 13263216 FZSONZPSNUAVQS-GFCCVEGCSA-N 341.385 1.476 0 40 EDAB O=S(=O)(NC1CCN(c2nc3cnccc3s2)CC1)C1CC1 1888875614 SNVNLLNWNGCIAZ-UHFFFAOYSA-N 338.458 1.742 0 40 EDAB O=S(=O)(N[C@H]1CCCN(c2ncnc3ccccc23)C1)C1CC1 1259280848 RBEKAPIVSDFRBL-LBPRGKRZSA-N 332.429 1.680 0 40 EDAB COc1ccccc1OC[C@@H](O)CN(CCO)Cc1ccccc1 8844753 IBRZPEGSDQRZBS-KRWDZBQOSA-N 331.412 1.929 0 40 EDAB Cc1ccc2c(CC(=O)NCCCN3CCCC3=O)cc(=O)oc2c1 9704852 DNPUHFHSLBPRLO-UHFFFAOYSA-N 342.395 1.773 0 40 EDAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc3c(c2)OCO3)nn1 11738642 JKQOBXAVAJNDAK-UHFFFAOYSA-N 346.368 1.895 0 40 EDAB CCOCC(=O)N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055745515 GBVZYKNRKDVGKX-NSHDSACASA-N 347.371 1.208 0 40 EDAB O=C([C@@H]1CN(Cc2ccncc2)CCO1)N1CCC(F)(F)CC1 2086884634 YNVZNCJGCCJLAX-AWEZNQCLSA-N 325.359 1.540 0 40 EDAB COc1ccc(CC(=O)NC[C@](C)(O)Cc2ccco2)cc1OC 206615834 ABJXWPAEMGKZOC-GOSISDBHSA-N 333.384 1.949 0 40 EDAB C[C@@H](NC(=O)C(=O)NC[C@](C)(O)Cc1ccco1)c1ccccc1 206620623 XRCZQUYAGOVNGF-FZKQIMNGSA-N 330.384 1.567 0 40 EDAB C[C@H](O)CN(C[C@H](C)O)C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 72238841 WEZRROLMUUBMCC-FCUZTIEGSA-N 341.492 1.396 0 40 EDAB O=S(=O)(C1CC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225731226 OOBHKZYJODHMAI-UHFFFAOYSA-N 336.339 1.110 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2c3c(nc4ccccc24)CCC3)CCO1 50852617 RJWWZEYTTBSYPC-OAHLLOKOSA-N 325.368 1.050 0 40 EDAB O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 40534543 SDTMUVJSFRMFQI-MRVPVSSYSA-N 338.307 1.396 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)N1 21473645 BIKMEXKUROUOFH-UHFFFAOYSA-N 342.182 1.808 0 40 EDAB CC1CCN(S(=O)(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)CC1 32825762 ZMQFALDTVDTWFI-KFWWJZLASA-N 333.498 1.050 0 40 EDAB Cn1cccc1[C@H]1CCCCCN1C(=O)Cn1ccc(=O)n(C)c1=O 32948521 MVLGSQWJUBYJNS-OAHLLOKOSA-N 344.415 1.029 0 40 EDAB CC1CCC(N(C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 60942451 MWTMURPYWXZSSI-UHFFFAOYSA-N 339.461 1.783 0 40 EDAB C[C@H](N[C@H]1CCCc2c1cnn2C(C)(C)C)C(=O)N1CCOCC1 78890398 SZQXXNJDAFRGOY-ZFWWWQNUSA-N 334.464 1.852 0 40 EDAB CCn1cc(S(=O)(=O)Nc2ccc([S@@](C)=O)c(F)c2)cn1 78900056 VQBDSDYVZPWSED-FQEVSTJZSA-N 331.394 1.580 0 40 EDAB CCNc1ncc(C(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)s1 78995716 FYDALAPPZOPXGL-SSDOTTSWSA-N 336.339 1.468 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1(C)C 78942395 URUPGRHVGIKKSW-HUUCEWRRSA-N 336.436 1.705 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(Cl)c1 79101463 OWXHBFCANGUSGB-GFCCVEGCSA-N 341.770 1.497 0 40 EDAB O=C(CSc1ccc2c(c1)CCC2)OCC(=O)N1CCNC1=O 22536313 IRIKWYZOMMWZBY-UHFFFAOYSA-N 334.397 1.362 0 40 EDAB Cc1cc(C)cc(N(CC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)c1 803317 WNUXTGJUZJQSSJ-HNNXBMFYSA-N 340.445 1.365 0 40 EDAB C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)OCCCO2 42346761 JIXWQVWFIQXTFV-GFCCVEGCSA-N 347.415 1.816 0 40 EDAB C[C@@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1F 42324251 GNJLVZZDHXMWRX-NXEZZACHSA-N 332.372 1.760 0 40 EDAB COc1ccc(NC(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1 23233573 TZEKOKQXLKIKRP-UHFFFAOYSA-N 334.420 1.369 0 40 EDAB COc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C)c2)c1 6302400 FYLDNRLUQCPARS-UHFFFAOYSA-N 341.367 1.697 0 40 EDAB Cc1nn(CC(=O)NC(C)C)c(C)c1S(=O)(=O)NC(C)(C)C 7785677 OAZVARFGUJHLRJ-UHFFFAOYSA-N 330.454 1.101 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)c3ccc(S(C)(=O)=O)cc3)C2)no1 72231987 NHOLNUWIUAVBOF-ZDUSSCGKSA-N 349.412 1.801 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2c([nH]c1=O)CCC2 61718510 RUTMPUHINMDHPI-UHFFFAOYSA-N 339.395 1.953 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)c3ccc4c(c3)CCC4)nn12 8389692 IKJDGKXJQLMMOK-UHFFFAOYSA-N 336.351 1.961 0 40 EDAB CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1ccccc1C 24258513 SERMMPIZPHODBJ-CYBMUJFWSA-N 330.475 1.995 0 40 EDAB O=C1COc2c(cccc2C(=O)N2CCC[C@H](n3cncn3)C2)N1 105856030 XHJCHAYXQKWCFX-NSHDSACASA-N 327.344 1.086 0 40 EDAB O=C(NCc1ccccc1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 72290996 NOCIETYJNDIURD-UHFFFAOYSA-N 339.330 1.661 0 40 EDAB CCc1nc(CC(=O)NCCC(=O)N2C[C@@H](C)O[C@H](C)C2)cs1 55288576 OHIPHQUJOAUPNS-VXGBXAGGSA-N 339.461 1.390 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCc1cccs1 55953215 LZQJUFHSPXXJSI-UHFFFAOYSA-N 345.467 1.939 0 40 EDAB NC(=O)c1cc(NCCn2nc3ccccn3c2=O)ccc1Cl 25700829 TUTWPHHSBHKILV-UHFFFAOYSA-N 331.763 1.360 0 40 EDAB CC(C)CC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 57272193 YMFJGJXMCRIHSN-UHFFFAOYSA-N 339.461 1.607 0 40 EDAB CN(C1CCCCCCC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 57265479 GXZZEAJSFOZCGY-UHFFFAOYSA-N 327.450 1.857 0 40 EDAB CCOC(=O)CN(CC(=O)NC(=O)NCc1ccccc1)C(C)C 58155592 VCJJUQBBPLSXAM-UHFFFAOYSA-N 335.404 1.286 0 40 EDAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 3235850 JVDHKJZRSPKSLA-UHFFFAOYSA-N 342.351 1.980 0 40 EDAB O=C(N[C@H](Cc1ccccc1)C(=O)NCCO)OCc1ccccc1 84525681 WSJJWSOQZCXBMY-QGZVFWFLSA-N 342.395 1.633 0 40 EDAB COc1ccccc1[C@@H](NC(=O)c1ccc(O)nn1)c1nccn1C 44890341 WMCGEXXPDGAMNS-OAHLLOKOSA-N 339.355 1.444 0 40 EDAB Cc1ccn2cc(CNC(=O)CNC(=O)CC3CCCC3)nc2c1 58244552 BPTLZRIZQSZZMW-UHFFFAOYSA-N 328.416 1.955 0 40 EDAB CC(C)[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1cccnc1 58209385 WPLFUWHVRVPSHC-CYBMUJFWSA-N 332.433 1.836 0 40 EDAB NC(=O)[C@H](NC(=O)CNC(=O)OCc1ccccc1)c1ccccc1 58290127 FPOLZPLRHRWHRZ-MRXNPFEDSA-N 341.367 1.256 0 40 EDAB COc1cccc2c(=O)c(C(=O)Nc3ccccc3C(N)=O)c[nH]c12 44901499 JFPZQGSYFIYZFO-UHFFFAOYSA-N 337.335 1.888 0 40 EDAB CCCn1nc(C(=O)N2CCCc3c(C(N)=O)cccc32)ccc1=O 48280110 BNDSZECUEFPFBW-UHFFFAOYSA-N 340.383 1.345 0 40 EDAB Cc1ccc(CS(=O)(=O)N2CC[C@H](N(C)C)C[C@H]2C(=O)O)cc1 107214459 UQMYYPXRBYIURI-GJZGRUSLSA-N 340.445 1.304 0 40 EDAB C[C@@H](SCC(=O)N(CCC(N)=O)c1ccc(F)cc1)C(=O)O 12796537 AYNUOVVVKLBOJW-SECBINFHSA-N 328.365 1.240 0 40 EDAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCCCNS(C)(=O)=O 48362358 GLXVIPALBQKRQL-JTQLQIEISA-N 349.403 1.607 0 40 EDAB CCN(Cc1cccc(NCC(=O)NC(=O)NCC(C)C)c1)C(C)=O 29646240 MXSUFASEWWRPEE-UHFFFAOYSA-N 348.447 1.949 0 40 EDAB COc1ccc(/C=C/C(=O)NCc2n[nH]c(=S)n2C)cc1OC 10041597 LQDZMWXUGUDTEZ-FNORWQNLSA-N 334.401 1.824 0 40 EDAB Cc1nn(CC(=O)NCCc2cccc(O)c2)c(=O)c2ccccc12 60210944 LLPUHSYUFKITIA-UHFFFAOYSA-N 337.379 1.769 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2nccn2C)C1 84671378 QFOIXZSZQPSITG-CQSZACIVSA-N 344.419 1.304 0 40 EDAB CC(C)C[C@H]1NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O 2655969 OUJACPHZCVVYRK-GFCCVEGCSA-N 332.356 1.607 0 40 EDAB Cc1ccc(C(=O)CSc2nnc(-c3cc(C)n[nH]3)n2N)cc1 9110241 BFOFXIFNJITSIS-UHFFFAOYSA-N 328.401 1.974 0 40 EDAB CCOc1ccccc1C(=O)N[C@@]1(C(F)(F)F)NC(=O)N(C)C1=O 3623291 YMQMVSWDCUUMAZ-CYBMUJFWSA-N 345.277 1.255 0 40 EDAB CCOc1cc([C@@H]2C(C(=O)OC)=C(C)Nc3nnnn32)ccc1O 5016119 HPANSXJBNJRFJI-CYBMUJFWSA-N 331.332 1.239 0 40 EDAB CCOC(=O)N1CCN(C(=O)CN[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 6206300 ACSDTSCICXPGQF-SOUVJXGZSA-N 325.453 1.701 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(Cc2cc(C(F)(F)F)ccc2F)C1 93531275 QOCNSGPIOFOECT-NSHDSACASA-N 340.342 1.968 0 40 EDAB CCN1CC[C@H](CNC(=O)NCc2ccnc(-n3ccnc3C)c2)C1 65449275 JRZOMTYCJUMEPE-MRXNPFEDSA-N 342.447 1.717 0 40 EDAB C[C@H](NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)c1ccncc1 65444259 CMVNBXRXXZFLJV-JSGCOSHPSA-N 340.449 1.256 0 40 EDAB Cc1ccc(NC(=O)CN(C)[C@H](C)C(=O)NCC(F)(F)F)cc1 14093427 DBJAKMPXBNMABO-LLVKDONJSA-N 331.338 1.932 0 40 EDAB O=C(CCNC(=O)c1ccccc1-n1ccnn1)NC1CCCC1 97107249 SQGFQKMFYFHLRW-UHFFFAOYSA-N 327.388 1.446 0 40 EDAB CC(C)CN1C[C@@H](C(=O)NCCNC(=O)c2ccccc2F)CC1=O 65574876 OKZCFTUWFASGDT-ZDUSSCGKSA-N 349.406 1.176 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cn1nnc2ccccc21 65568472 RPUZVYNLTIDWIR-RISCZKNCSA-N 347.444 1.248 0 40 EDAB COC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(C)C 9313930 FNRFEDMSFDYXBN-AWEZNQCLSA-N 340.401 1.047 0 40 EDAB CC1=C(C(=O)Nc2ccccc2)C2(CCCC2)[C@H](C(N)=O)C(=O)N1 4681284 NFSQPLCLEQXYDP-CQSZACIVSA-N 327.384 1.691 0 40 EDAB CC(C)OCCCN1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2 9317206 VIEZBVGFEKNWFH-INIZCTEOSA-N 329.400 1.952 0 40 EDAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1sccc1C(N)=O 15645392 SJONNDBEPPVDFC-MRVPVSSYSA-N 334.353 1.737 0 40 EDAB CC(C)(C(=O)N1CCN(C(=O)c2ccon2)CC1)c1ccccc1 67708396 UAZIHUAHALFFSC-UHFFFAOYSA-N 327.384 1.937 0 40 EDAB CCOC(=O)[C@@H]1CCCN(CC(=O)NCc2ccc3c(c2)OCO3)C1 7437087 KALGDZIIHPSTSM-CQSZACIVSA-N 348.399 1.307 0 40 EDAB CCCNC(=O)[C@@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1C 7480749 GMZBWAWNIVXEBX-LLVKDONJSA-N 327.402 1.470 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccoc1C 7550745 WOIDLSCESGYSCD-HNNXBMFYSA-N 345.351 1.645 0 40 EDAB CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)NCC(C)C)n1 7654323 CVYSHALZBBMYSM-UHFFFAOYSA-N 326.422 1.296 0 40 EDAB Cc1cc(COC(=O)CCn2nc(-c3cccs3)oc2=O)no1 16366927 WGTYIYKTHNNVFJ-UHFFFAOYSA-N 335.341 1.995 0 40 EDAB Cc1cccc2nc(CN(CCS(C)(=O)=O)C3CC3)cc(=O)n12 95435426 AIEAKLFPXSNGMA-UHFFFAOYSA-N 335.429 1.012 0 40 EDAB CC[C@@H](CO)N1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 95433295 SOXQHZGLNRLUGE-AWEZNQCLSA-N 338.429 1.510 0 40 EDAB C[C@@H](O)CN1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 70039964 QRMNLNFGCGSMCW-GFCCVEGCSA-N 336.823 1.888 0 40 EDAB CNc1snc(C)c1C(=O)OCc1cc(=O)n2ccsc2n1 16974274 QMAQMXJISLYVLC-UHFFFAOYSA-N 336.398 1.920 0 40 EDAB Cc1nc(CNC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)n[nH]1 69350774 XIXJCQJQXULBJO-RMKNXTFCSA-N 325.372 1.570 0 40 EDAB C[C@@H](CNC(=O)c1cc(Cl)c2c(c1)OCO2)N1CCN(C)CC1 71867487 OZDVGVZOJHNQQY-NSHDSACASA-N 339.823 1.434 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@H]3CCCC[C@H]3C(F)(F)F)CC2)N1 71818690 UBFDANTXORHDNE-VHSXEESVSA-N 347.337 1.556 0 40 EDAB CN1C[C@H](C(=O)NCc2nccn2CCCc2ccccc2)CC1=O 81931739 MHQRIPWEVJSSIR-MRXNPFEDSA-N 340.427 1.610 0 40 EDAB CN(CCOc1ccc(Cl)cc1)C(=O)CN1CSCC1=O 8341277 AICIQENLGZJGOD-UHFFFAOYSA-N 328.821 1.710 0 40 EDAB Cc1cc(N2CCN(C(=O)Cc3cccc(F)c3)CC2)nc(N)n1 71833158 HHAZEIKUSVPBED-UHFFFAOYSA-N 329.379 1.398 0 40 EDAB Cc1nc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c[nH]1 71893278 QFEMDVPKOHVBAP-UHFFFAOYSA-N 348.428 1.433 0 40 EDAB O=C(NCc1n[nH]c(=S)n1C1CC1)c1ccc(-n2cnnn2)cc1 69538441 KCDOJKUCQGOVHB-UHFFFAOYSA-N 342.388 1.181 0 40 EDAB O=C(Nc1cccc(N2CCOCC2)c1)[C@H]1CCCN1C(=O)C1CC1 69651955 UHANGQYPOFJTRE-QGZVFWFLSA-N 343.427 1.863 0 40 EDAB Cc1nc2n(n1)C[C@H](Nc1ncc(C(=O)N(C)C)cc1Cl)CC2 69699906 AMEPILGBSQCULL-LLVKDONJSA-N 334.811 1.764 0 40 EDAB NC(=O)COc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)cc1 69740176 RLPFHDVPAFDYGM-HNNXBMFYSA-N 341.415 1.099 0 40 EDAB CCNC(=O)NC(=O)CN1CCO[C@@H](c2ccccc2Cl)C1 69737697 LBBAGOFLHNJSKD-CYBMUJFWSA-N 325.796 1.559 0 40 EDAB COCCN1CCC[C@H]1CNC(=O)c1cc(Cl)nc(N(C)C)c1 71903929 DDKCFWFWRZUQBI-ZDUSSCGKSA-N 340.855 1.642 0 40 EDAB COc1ccccc1NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 18181523 BSMXEVLKMNGYEQ-UHFFFAOYSA-N 346.431 1.467 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2Cn2cccn2)CN1CC(F)(F)F 69924063 GEJNKJFYMDECKS-VXGBXAGGSA-N 344.337 1.285 0 40 EDAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN([C@H]2CCCN(C)C2)CC1 71909037 LXNAVYMODIREOC-QAPCUYQASA-N 348.466 1.865 0 40 EDAB CN(CCOC[C@H]1CCCO1)C1CCN(C2CCOCC2)CC1 95400876 QJKDFPKACDGZPI-GOSISDBHSA-N 326.481 1.757 0 40 EDAB O=C(C[C@H](CN1CCC(O)CC1)C(=O)O)Nc1ccc2cc[nH]c2c1 72405109 YTIRNXRYKMYNNS-CYBMUJFWSA-N 345.399 1.654 0 40 EDAB C[C@H](NC(=O)CNC(=O)c1cccs1)[C@@H](O)c1ccc(F)cc1 97020189 KERKVNWCBBBCGN-ZUZCIYMTSA-N 336.388 1.855 0 40 EDAB Cn1ccnc1N1CCN(C(=O)c2cccc(-c3ncn[nH]3)c2)CC1 97032401 MBYGWQVIHVXLRS-UHFFFAOYSA-N 337.387 1.168 0 40 EDAB CC(C)c1cc(NC(=O)CN2CCN(Cc3ccccn3)CC2)on1 95947349 KHFAYXGPODCJNF-UHFFFAOYSA-N 343.431 1.949 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C(=O)c1ccc(-n2cccc2)nc1)C1CC1 75108552 DMZAIINSLJQHOZ-CYBMUJFWSA-N 347.440 1.910 0 40 EDAB O=C(c1ccnn1C1CCCC1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 89885069 NCRWINVAOSZAFS-AWEZNQCLSA-N 337.445 1.790 0 40 EDAB Cc1cc(C)n2nc3c(c2n1)[C@@H](c1cn[nH]c1C(=O)O)CC(=O)N3 67712722 BMOGEYSSIYURHT-MRVPVSSYSA-N 326.316 1.242 0 40 EDAB CCCc1c(COC)nc(N2CCN(C(=O)OCC)CC2)[nH]c1=O 22448521 BZQMIULQFSETQO-UHFFFAOYSA-N 338.408 1.147 0 40 EDAB Cc1cccc(C(=O)N[C@@H]2CCN([C@H](C)c3nnnn3C3CC3)C2)n1 1010231760 XPONCUYPZKREST-CHWSQXEVSA-N 341.419 1.277 0 40 EDAB COCCCNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 408600369 AHUAHRBSIVGHQT-UHFFFAOYSA-N 328.434 1.448 0 40 EDAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)NC(=O)NC1CC1 6643009 GEEXTPWSUAIUMO-UHFFFAOYSA-N 332.143 1.533 0 40 EDAB Cc1ccc(F)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1F 565514948 ZRMIUROWTXVXIC-XHBSWPGZSA-N 338.354 1.829 0 40 EDAB Cc1nc(O)cc(C2(C)CCN(C(=O)[C@]3(C)CCCCN3)CC2)n1 72367344 ZLOPLCFTAZNYDV-SFHVURJKSA-N 332.448 1.903 0 40 EDAB COc1cccc(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)c1 31385277 KUPZPCFMMDGBFB-UHFFFAOYSA-N 342.443 1.937 0 40 EDAB COCCn1cc(C(=O)N2CCCO[C@@H](CN)C2)c2ccccc21 566406282 IBTNUHBVFLIGIA-AWEZNQCLSA-N 331.416 1.478 0 40 EDAB C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1nccn1C(F)F 188409456 PQOGIAFFGUJESO-NSHDSACASA-N 345.394 1.265 0 40 EDAB CNS(=O)(=O)c1cccc([C@@H](C)NCC[C@H]2CCCN2C)c1 195549739 HOLRPVGVOKXLHZ-UKRRQHHQSA-N 325.478 1.730 0 40 EDAB Cc1c(NC(=O)c2cc(O)ncn2)c(=O)n(-c2ccccc2)n1C 225524666 KPOATFIQRIMGPV-UHFFFAOYSA-N 325.328 1.232 0 40 EDAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NC(C)C)s2)cc1 223789542 JOXHFTAVIGVQKP-UHFFFAOYSA-N 340.430 1.786 0 40 EDAB CC(C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1)=C1CCCC1 225480444 ZUSCDAOOSQUPPC-WBVHZDCISA-N 333.476 1.984 0 40 EDAB CC(C)[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 225208572 PQBMAOGHEQDVGC-LBPRGKRZSA-N 345.440 1.599 0 40 EDAB COc1ncnc2c1CN(C[C@H](O)COc1ccc(C)cc1C)CC2 97202085 TYCQLOMVXSWNTR-HNNXBMFYSA-N 343.427 1.900 0 40 EDAB COCCn1c2c(ccc1=O)C[C@@H](NC(=O)c1cc(C)oc1C)CC2 96189677 UNTJHKLEWCHCLD-HNNXBMFYSA-N 344.411 1.992 0 40 EDAB Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)Nc4cccnc4)[C@@H]3C2)nn1 96065244 NVQRAUQQQIDHLK-BMFZPTHFSA-N 339.399 1.518 0 40 EDAB Cc1nc(C)n(C[C@@H]2CC[C@@]3(COCCN(Cc4ccco4)C3)O2)n1 96160666 IUDPEGIDSJSLEE-ZWKOTPCHSA-N 346.431 1.938 0 40 EDAB Cc1cc(CNC(=O)c2c(F)cccc2F)nc(N2CCOCC2)n1 96121286 CUQOGLVYVZVICW-UHFFFAOYSA-N 348.353 1.830 0 40 EDAB CN1C[C@H](C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)CC1=O 96456450 ZVDLEUKMQDGEFC-IAGOWNOFSA-N 330.428 1.715 0 40 EDAB Cc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C)nn3C)OCC(=O)N2C)cc1 96181416 CLMRAAIMONQTDQ-IRXDYDNUSA-N 342.399 1.574 0 40 EDAB Cc1ccc(N2CCOC[C@]3(CCCN(C(=O)N(C)C)C3)C2)nn1 96229186 CZXGNCWSLVGKOS-QGZVFWFLSA-N 333.436 1.385 0 40 EDAB O=C(c1ccccn1)N1C[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C1 96053954 ICCUAOMLNBXXCG-VXGBXAGGSA-N 328.397 1.382 0 40 EDAB O=C(N=c1cc[nH]cc1)NC[C@@H]1C[C@H](F)CN1Cc1nccs1 583615044 WFLJTMPPZNYPER-AAEUAGOBSA-N 335.408 1.694 0 40 EDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2nccn2C)cn1 96200251 NTHMIQSAEITPNM-DLBZAZTESA-N 329.448 1.766 0 40 EDAB O=C(N[C@@H]1COCCC12CCN(c1ncc(F)cn1)CC2)C1CC1 96219813 PQPQTGJHOAZJFS-CQSZACIVSA-N 334.395 1.517 0 40 EDAB COc1cc(OC)cc(C(=O)NCc2nn(C)c3c2COCC3)c1 96103991 JMZDKQRKDHBGFD-UHFFFAOYSA-N 331.372 1.440 0 40 EDAB Cc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3C2)o1 96061797 ULCZIZBSQIARID-UHFFFAOYSA-N 329.448 1.548 0 40 EDAB COCCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccncc2)C1 91649795 MZMIVDXRZULFLJ-MRXNPFEDSA-N 328.416 1.873 0 40 EDAB O=C(C1CC1)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 585086052 BWINNSTXDXZHJQ-JGVFFNPUSA-N 332.244 1.997 0 40 EDAB CCc1cnc(N2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3C2)nc1 96161808 GEZSJWWNAFPHHN-BETUJISGSA-N 329.429 1.704 0 40 EDAB O=C(Nc1cnc2nccn2c1)C1CCN(C(=O)N2CCCC2)CC1 585126145 QFCFMRWPCYDMNA-UHFFFAOYSA-N 342.403 1.596 0 40 EDAB C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C)CCC(=O)NC1 585128696 KZARGAOEURZVGG-SYNHAJSKSA-N 343.471 1.930 0 40 EDAB CO[C@@H](C)CS(=O)(=O)N(CC(=O)OC(C)(C)C)CC(F)(F)F 585136366 CHFSCQBETIXZDN-VIFPVBQESA-N 349.371 1.557 0 40 EDAB COCC(=O)NCC[C@@H]1CN(Cc2cccc(C)c2)Cc2ccnn21 247880158 BWXZEHZSVCTAMF-QGZVFWFLSA-N 342.443 1.901 0 40 EDAB CCCn1cc(-c2cncc(C3CCN(S(C)(=O)=O)CC3)n2)cn1 257249464 JIMNWGNTZCMDPB-UHFFFAOYSA-N 349.460 1.889 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)no1 257290531 QDIOEDISNBOJCG-HZPDHXFCSA-N 341.367 1.235 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)c3cnc(O)c(Cl)c3)CCO2)n1 257288512 PUKYTURQTFJYSW-GFCCVEGCSA-N 336.779 1.696 0 40 EDAB CN(C(=O)COc1cccc2c1OC(C)(C)C2)[C@@H]1CCC[C@@H](O)[C@@H]1O 257321978 WEDFHKJJCAKGRG-CKEIUWERSA-N 349.427 1.512 0 40 EDAB Cc1noc(C)c1C(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1 257269502 MQGNWJZEFDHRKZ-HNNXBMFYSA-N 342.399 1.103 0 40 EDAB CO[C@@H]1CC[C@@H](N(C)C(=O)COc2cc(C)nc3ccccc23)[C@H]1O 257222079 DRUUUXLHCOPGNJ-GPMSIDNRSA-N 344.411 1.919 0 40 EDAB C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)c2cccc(Cl)c2O1 252478052 ABLMMIANXNBGKZ-SECBINFHSA-N 332.809 1.345 0 40 EDAB Cc1cc(N2CCC[C@](O)(CNC(=O)Cc3cccs3)C2)ncn1 257344400 ZXBDMPSVFLKUSJ-KRWDZBQOSA-N 346.456 1.537 0 40 EDAB Cc1cc(C)cc([C@@H](O)CNC(=O)N[C@H](C)CCS(C)(=O)=O)c1 252508804 XUOYEFUNXGLYAT-HIFRSBDPSA-N 342.461 1.459 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CO[C@@H](Cc1cncnc1)C2 257234031 GRUSZZFSVHFPIS-INIZCTEOSA-N 327.432 1.824 0 40 EDAB O=C1[C@@H](N2C(=O)[C@@H]3CCCN3C2=O)CCN1c1ccccc1Cl 253420304 MEGPETVYYHTCBI-STQMWFEESA-N 333.775 1.872 0 40 EDAB CC(=O)n1ccc2cc(C[C@@H]3COCCN(CCC(N)=O)C3)ccc21 257326286 WWQJVQNWOOUBHB-INIZCTEOSA-N 343.427 1.668 0 40 EDAB CCOC(=O)[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCCCCC1 594194791 LGRURPUYXZKIEQ-KGLIPLIRSA-N 345.461 1.439 0 40 EDAB Cc1ccccc1[C@@H]1CCCN1C(=O)Cn1ncn2nccc2c1=O 602101083 UNRQWFICWLWPBY-HNNXBMFYSA-N 337.383 1.563 0 40 EDAB O=C(c1ccnc(-c2ccccc2)n1)N1CCN([C@H]2CCOC2)CC1 1615590818 QFCKSNSWBIABLE-INIZCTEOSA-N 338.411 1.690 0 40 EDAB CC1(C)Cc2cc(S(=O)(=O)NCCc3nncs3)ccc2O1 1615585588 JKTHJYLQKNDACX-UHFFFAOYSA-N 339.442 1.773 0 40 EDAB O=C(O)CCCN(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 575420701 JGWOCYNFDLFYTC-CQSZACIVSA-N 329.393 1.680 0 40 EDAB CC(C)CC(=O)N1CCn2cc(CC(=O)NCC3CC3)nc2[C@@H]1C 585096359 JYSZZLBBLIUCKN-ZDUSSCGKSA-N 332.448 1.901 0 40 EDAB CO[C@@H]1CCN(Cc2cnc(C)nc2)C[C@H]1CC(=O)N1CCCC1 585275386 BEFKYHUGSGQYNE-IAGOWNOFSA-N 332.448 1.634 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)NCCNC(=O)c1ccc(O)cc1 65532454 XGRSQAKLGDLRNR-NSHDSACASA-N 344.415 1.392 0 40 EDAB Cc1occc1CNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 71803164 WUPBWJKRMUDCSB-LBPRGKRZSA-N 334.420 1.082 0 40 EDAB O=C(CCN1CCC(c2nc3ccccc3[nH]2)CC1)N1CCOCC1 71892912 NTAXMPMFYIFTKI-UHFFFAOYSA-N 342.443 1.991 0 40 EDAB CNC(=O)c1cccc(NC(=O)COc2ccccc2C(N)=O)c1 48312195 YGCSEVFGGVPGQU-UHFFFAOYSA-N 327.340 1.163 0 40 EDAB Cn1cc(C[C@H]2CCN(C(=O)NCCC(=O)NC3CCCC3)C2)cn1 84318167 RRIFTACGAZROFT-CQSZACIVSA-N 347.463 1.443 0 40 EDAB O=C(NCc1nnc2n1CCC2)NCC1(c2cccc(F)c2)CC1 89774774 GUJORGUDPHFOLB-UHFFFAOYSA-N 329.379 1.894 0 40 EDAB CCCN(CCC)C(=O)[C@H]1[C@@H](C(=O)NCC(=O)OC)[C@H]2C=C[C@H]1C2 100993101 NKIQTOCUIJIQAG-DARAHFNDSA-N 336.432 1.363 0 40 EDAB Cc1cc(C)cc(N2C(=O)C[C@@H](N3CCC4(CC3)OCCO4)C2=O)c1 13636700 JTUXIWPSJOUDBQ-MRXNPFEDSA-N 344.411 1.774 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H](O)[C@@]2(C[C@H](c3cccc(F)c3)CO2)C1 643585929 DIQZYUUITOYKJL-POZUXBRTSA-N 344.386 1.924 0 40 EDAB CCn1ncc(Br)c1C(=O)N1CCN2CCC[C@@H]2C1 2764303 YBCLOCJZXRXDQD-SNVBAGLBSA-N 327.226 1.586 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CC(Oc2cccnc2)C1 238926826 USKDTVFYAQCCOX-UHFFFAOYSA-N 325.324 1.279 0 40 EDAB Cc1cc([C@@H](O)CNC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)o1 1565519956 AETGSCMVICHJLJ-LRDDRELGSA-N 330.384 1.923 0 40 EDAB CC(C)CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]1O2 1565547736 NCCRUNKBSVQOJO-WOSRLPQWSA-N 347.415 1.554 0 40 EDAB CC(=O)Nc1ccc(SCCCC(=O)NC[C@@H]2CCCO2)nn1 11793276 CLGHBGIORPMLQT-LBPRGKRZSA-N 338.433 1.603 0 40 EDAB Cc1cc(C)c(NC(=O)Cn2cnc3c(nnn3C)c2=O)c(C)c1 12443918 VZQVCGIBWLBEJJ-UHFFFAOYSA-N 326.360 1.089 0 40 EDAB O=C([C@@H]1CCCCO1)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775965697 KMPSHRPKMISKSK-INIZCTEOSA-N 331.416 1.853 0 40 EDAB O=C(Cn1c2c(c3ccccc31)CCC2)NC[C@@H]1CCS(=O)(=O)C1 36708652 YUZFFLZLKVFYQZ-ZDUSSCGKSA-N 346.452 1.681 0 40 EDAB Cc1cc(C)n(CCNC(=O)CN2CCN(c3ccccc3)C2=O)n1 49026066 BRFOLCDZYLVJEI-UHFFFAOYSA-N 341.415 1.558 0 40 EDAB O=C(NCc1nc(C2CCOCC2)no1)c1cnc2ccccc2n1 575616215 IAEGWMQGBIHLOZ-UHFFFAOYSA-N 339.355 1.837 0 40 EDAB Cc1cc(=O)n(CC(=O)NCc2nccnc2-c2cccs2)cn1 575619921 HTCZWQIPQDERMB-UHFFFAOYSA-N 341.396 1.387 0 40 EDAB Cc1ccc(=O)n(CCNC(=O)c2cncc(Br)c2)n1 49422393 SWSWXZGYLOZQCY-UHFFFAOYSA-N 337.177 1.139 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(CCc3ccc4c(c3)CCO4)C2=O)cn1 102317893 XAGCVPXQSSBBTP-INIZCTEOSA-N 339.395 1.515 0 40 EDAB Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(F)c1 20170431 KJFFBKUNPUMPDM-UHFFFAOYSA-N 336.392 1.572 0 40 EDAB COc1ccc(NC(=O)[C@H](NC(N)=O)C(C)C)cc1OC(F)F 30926615 RXMYLPFHTHZDTQ-LLVKDONJSA-N 331.319 1.928 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)Cn3cccn3)CC2=O)cc1 31389230 CJDGCODJPUAUSK-CABCVRRESA-N 326.400 1.749 0 40 EDAB CC(C)[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)N1CCOCC1 40522291 BWSDKUWCAAKYBK-MRXNPFEDSA-N 345.447 1.297 0 40 EDAB COc1cccc(-n2nnc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2C)c1 40513828 GHFCJOPPIRFNGI-TXEJJXNPSA-N 330.388 1.834 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)Cn3cncn3)c12 40539806 SMNGYAWNVDHYCO-SECBINFHSA-N 326.360 1.819 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cccnc2)cc1 31942550 AODWVKSIUBBILM-INIZCTEOSA-N 345.424 1.967 0 40 EDAB Cc1nnc2ccc(N3CCC(C(=O)NC4CCCC4)CC3)nn12 20746074 PYINWUWLBWXBAH-UHFFFAOYSA-N 328.420 1.708 0 40 EDAB CN1C[C@@H](C(=O)N[C@H](c2ccccc2F)c2nccn2C)CC1=O 32319820 JSNGAJMZZFSBCJ-XHDPSFHLSA-N 330.363 1.243 0 40 EDAB O=C(NCc1ccco1)[C@H]1[C@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 101943584 DXIBGXRLIIIXPI-DRMAHVMPSA-N 342.395 1.620 0 40 EDAB CCc1cc(NC[C@H](O)COc2cccc(F)c2)n2ncnc2n1 52238656 IBTBQPKUKMJKFY-ZDUSSCGKSA-N 331.351 1.678 0 40 EDAB CC[C@]1(C)NC(=O)N(NC(=O)CN(C)c2ccc(C)cc2C)C1=O 52450229 IHRVGIMYNAULJL-KRWDZBQOSA-N 332.404 1.491 0 40 EDAB Cc1ccccc1OCCN(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 32895741 ZJWOKKJNSYNPHD-HUUCEWRRSA-N 342.461 1.660 0 40 EDAB Cc1n[nH]c2ncc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)cc12 32936118 ULQZUUWXURNHLA-UHFFFAOYSA-N 342.359 1.166 0 40 EDAB O=C([C@@H]1CSc2ccccc2O1)N1CCC[C@@H](n2cncn2)C1 72235022 IACGAMBNBNWXHJ-OCCSQVGLSA-N 330.413 1.995 0 40 EDAB CC[C@H](CCO)CNC(=O)CN(CCOC)C(=O)OC(C)(C)C 79076371 YIYGSDZOMBTBLC-CYBMUJFWSA-N 332.441 1.395 0 40 EDAB CCOC(=O)c1nnn(-c2ccc(C(=O)O)cc2)c1C(=O)OCC 1736615 UXECPVLJDQPXEY-UHFFFAOYSA-N 333.300 1.319 0 40 EDAB CCOC(=O)[C@H](C)N(C)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 79095007 DNLDIQWMDVDVOD-NSHDSACASA-N 347.346 1.395 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(Cc2ccsc2)CC1 22696794 ZAAYYZKKWDFLPS-UHFFFAOYSA-N 332.473 1.985 0 40 EDAB O=C(NCc1ccc2c(c1)CCC2)N1CCC(N2CCNC2=O)CC1 84459168 GRLWUJUABMCMPD-UHFFFAOYSA-N 342.443 1.875 0 40 EDAB Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)cc1 47455911 SQSYJVOIKXNJNX-GOSISDBHSA-N 343.471 1.898 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 42673725 FELXWXUDGLYVEA-UFBFGSQYSA-N 331.388 1.932 0 40 EDAB C[C@@H](CNC(=O)N(C)CCN1CCOCC1)N1CCc2ccccc21 105150589 SDCAKCZNTAJRTF-INIZCTEOSA-N 346.475 1.411 0 40 EDAB COc1cccc(CNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 103066404 HFIBIGZFUCTNOZ-GASCZTMLSA-N 328.368 1.263 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCC[C@@H]1c1ccncc1 42794381 GWVPSDICKSJFQM-CQSZACIVSA-N 342.399 1.610 0 40 EDAB CCCn1cc(CN2CCCN(C(=O)c3ncccc3O)CC2)cn1 105875221 CLILWTGGUMECHB-UHFFFAOYSA-N 343.431 1.742 0 40 EDAB COCCOCCCNC(=O)C[C@@H](NC(C)=O)c1cccs1 47630899 ZYZKCJPDRJDTEI-CYBMUJFWSA-N 328.434 1.485 0 40 EDAB CN(C)c1nc(N)nc(CS(=O)(=O)c2ccc3ccccc3c2)n1 47619538 BUDGKDKUGMHIHF-UHFFFAOYSA-N 343.412 1.647 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc2ccccc2n1 24690267 BHWVHKFXKVSVJZ-AWEZNQCLSA-N 347.440 1.779 0 40 EDAB COc1cc2c(cc1OC)[C@H]1Cc3nc(N)ncc3C(=O)N1CC2 1384271 PJKYNFVMJFLWCO-CYBMUJFWSA-N 326.356 1.372 0 40 EDAB Cc1cc(NC(=O)NC[C@H](CN(C)C)[C@@H](O)c2ccccc2)n(C)n1 43432648 VQCQNJDJJSRLID-WBVHZDCISA-N 345.447 1.761 0 40 EDAB O=CN1CCN(C(=O)C2CCN(Cc3ccccc3F)CC2)CC1 9063553 LSFZLACFAHWNKN-UHFFFAOYSA-N 333.407 1.338 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)NC(C)(C)C(N)=O)c(Br)c1 57051018 MREMKZKUYVXQQN-SECBINFHSA-N 343.221 1.905 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccccc2OC(F)(F)F)CC1 26534034 IJZAXKRIHAGGGU-UHFFFAOYSA-N 345.321 1.992 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O 106489596 AIBMANLPIMMPKZ-YCRREMRBSA-N 345.138 1.765 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(Cc3cc(F)ccc3F)C2)C1 108527239 VUIPFFIOESPBRF-UHFFFAOYSA-N 330.400 1.869 0 40 EDAB O=C(Cn1cc(NS(=O)(=O)c2ccccc2)cn1)NC1CCCC1 57820759 WWAKLZGELLLIPZ-UHFFFAOYSA-N 348.428 1.743 0 40 EDAB O=C(O)CCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 95348419 MJZKANMCULVOHV-VOTSOKGWSA-N 330.384 1.529 0 40 EDAB c1ncn(-c2ccc(CNCc3cnc(N4CCCC4)nc3)cn2)n1 58191680 WQAJZDYJUAMOFB-UHFFFAOYSA-N 336.403 1.342 0 40 EDAB CCn1cc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2F)cn1 58245640 OSGZOUHZFLQJAX-UHFFFAOYSA-N 331.300 1.680 0 40 EDAB C[C@H](C(=O)NCc1ccc(N2CCCCC2)nc1)S(C)(=O)=O 44953114 BRDGQCLBGBDEOW-GFCCVEGCSA-N 325.434 1.121 0 40 EDAB COc1ccc(C)cc1[C@@H](O)CN1CCN(c2cnccn2)CC1 44975203 AUBXWTKRCPPIIL-INIZCTEOSA-N 328.416 1.649 0 40 EDAB C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1COc2ccccc2O1 9836368 RZKHSLQSRPHFHQ-VXGBXAGGSA-N 346.408 1.823 0 40 EDAB O=C1[C@H](N2CCC[C@H](O)C2)CCN1c1ccccc1OC(F)F 95397852 ZFFFADYRJIQJSN-WCQYABFASA-N 326.343 1.850 0 40 EDAB COCCCN(CCOC)C(=O)[C@H](c1ccccc1)n1cccn1 58380059 DBWGILAEHFYRDE-KRWDZBQOSA-N 331.416 1.984 0 40 EDAB C[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)N1CCCC[C@H]1C 48250218 RKACINUVFZVWKE-OLZOCXBDSA-N 339.461 1.327 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)CCc1nnc(-c2ccccc2)o1 48236557 BBUKNYVYAOHVHW-CQSZACIVSA-N 344.415 1.946 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(N)=O)c1 24257220 BBDVFNGXEVJCJS-UHFFFAOYSA-N 334.353 1.373 0 40 EDAB COC(=O)c1ccccc1SCc1cc(=O)n2nc(N)[nH]c2n1 103936914 KHXVAGUXHRTQQT-UHFFFAOYSA-N 331.357 1.079 0 40 EDAB Cc1ccccc1OCCC(=O)OCc1nc(N)nc(N(C)C)n1 12720360 XSVRRNNKMTUYMM-UHFFFAOYSA-N 331.376 1.341 0 40 EDAB CCONC(=O)CCNC(=O)c1cc(F)ccc1Br 48345726 PJEMHJDHBMDEKC-UHFFFAOYSA-N 333.157 1.776 0 40 EDAB CCOC(=O)C1=C(CSc2ccc(Cl)nn2)NC(=O)N[C@H]1C 95347495 HIBPVMIGKPRZDD-ZETCQYMHSA-N 342.808 1.741 0 40 EDAB C[C@@]1(NC(=O)CSc2ccccc2C(=O)O)CCS(=O)(=O)C1 12976512 AUISNGIMZYHFRG-CQSZACIVSA-N 343.426 1.170 0 40 EDAB CCn1cc(C(=O)Nc2cnn(C)c2)c(=O)c2cc3c(cc21)OCO3 71283401 RVXFDOBHTMPXAU-UHFFFAOYSA-N 340.339 1.736 0 40 EDAB CC(C)(C)NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3600946 ADVBOIBICMSFEE-SFHVURJKSA-N 329.400 1.685 0 40 EDAB CN(CC(=O)N1CCNC1=O)c1ccc(Br)cc1F 49333485 XUDHWTUGVPPVPX-UHFFFAOYSA-N 330.157 1.576 0 40 EDAB COc1ccnc(N2CCN(C(=O)CC(C3CC3)C3CC3)CC2)n1 65108569 FZBCTPXIPHSBSG-UHFFFAOYSA-N 330.432 1.960 0 40 EDAB O=S1(=O)C[C@H](NC2CC2)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 19797203 HXTPCWGBMJLGGW-STQMWFEESA-N 349.861 1.031 0 40 EDAB COC[C@@H](C)NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 13942048 UAWUBHSLMFEYHI-KGLIPLIRSA-N 342.461 1.609 0 40 EDAB COC(=O)C1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)CC1 5206447 WHBOZGZCBJIFGG-HNNXBMFYSA-N 348.399 1.365 0 40 EDAB CN1CCc2ncnc(N3CCN(C(=O)c4ccsc4)CC3)c2C1 65473712 KPQNRHUXROCZKP-UHFFFAOYSA-N 343.456 1.488 0 40 EDAB C/C(NN1CCCCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 9359719 CUDXMAIMXPSKBR-FYWRMAATSA-N 342.399 1.530 0 40 EDAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 65567543 QNMWTSYKIDSVIS-GWCFXTLKSA-N 344.371 1.162 0 40 EDAB CN(Cc1nccs1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 97045759 UCCXOUVMWVRDHV-HNNXBMFYSA-N 340.470 1.886 0 40 EDAB O=C(CCn1cc(Cl)cn1)N1CCN(C(=O)c2ccco2)CC1 27969014 RRFZBZZCYLSPGH-UHFFFAOYSA-N 336.779 1.504 0 40 EDAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(N)=O)c1 6642212 JGXHIHIXFGOQGH-LZQZEXGQSA-N 348.443 1.857 0 40 EDAB biogenic C[C@@H](CO)[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)cc1 97095509 UTJSAQCNBJDHQZ-VHSXEESVSA-N 343.221 1.312 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1O)C2=O 9479047 NEJTVANTNZVCFO-DIFFPNOSSA-N 331.372 1.831 0 40 EDAB COc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)C3CC3)CC2)cc1 14931992 CMEBQERXHKPHRX-ZDUSSCGKSA-N 331.416 1.576 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 23155460 OZVYALWLTMMIQJ-UHFFFAOYSA-N 340.401 1.004 0 40 EDAB COC(=O)C1CCN(C[C@H](O)COc2cccc(C(C)=O)c2)CC1 6905948 NEUOVVIFNIWHCE-INIZCTEOSA-N 335.400 1.514 0 40 EDAB CCOC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1C 4947093 XBMUWDIPPNFKTE-UHFFFAOYSA-N 338.364 1.986 0 40 EDAB COc1ccccc1-n1ccn(CC(=O)NC2CCCC2)c(=O)c1=O 67256288 CIMSVOICXMXXRE-UHFFFAOYSA-N 343.383 1.067 0 40 EDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 9547819 XNNZOYJCCGBPBD-ZIAGYGMSSA-N 342.461 1.959 0 40 EDAB CCC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 7278208 COGXRJZTGIEVRL-GOSISDBHSA-N 347.415 1.767 0 40 EDAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC(C)C)c1 22229569 HKIKFVZYIQHHAS-AWEZNQCLSA-N 340.445 1.681 0 40 EDAB O=C(OC[C@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 71800778 QKZTXCJCZBBEHW-TZMCWYRMSA-N 347.367 1.881 0 40 EDAB COc1cccc(C2(C(=O)Nc3cnn(CC(N)=O)c3)CCCC2)c1 71888971 OECNJLGNZZJPDP-UHFFFAOYSA-N 342.399 1.828 0 40 EDAB O=c1[nH]c(CN2CCN(CC(F)(F)F)CC2)nc2ccccc12 71878509 DKCFAFQJYXQJFO-UHFFFAOYSA-N 326.322 1.603 0 40 EDAB Cc1cc(OCC(=O)NCCCC(=O)N2CCc3ccccc32)no1 71896836 PGODXUZBPWRRDF-UHFFFAOYSA-N 343.383 1.848 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2cnccn2)CC1 71820828 JWHIUHWTLCCVMA-UHFFFAOYSA-N 326.356 1.097 0 40 EDAB CC(C)Oc1ccc(CNC(=O)CCN2C(=O)CCC2=O)cc1F 71879457 FNZPTTOISCAXEL-UHFFFAOYSA-N 336.363 1.768 0 40 EDAB NC(=O)NCc1ccc(C(=O)NCCOc2ccc(F)c(F)c2)cc1 71883365 YINFYAVYSRECSV-UHFFFAOYSA-N 349.337 1.942 0 40 EDAB CNS(=O)(=O)c1ccc(N2CC[C@@H](c3ccc(OC)cc3)C2)nc1 71894268 HAKFKGJHBCABKL-CQSZACIVSA-N 347.440 1.992 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)cc1Cl 71896216 LYJFITLOJBWSPZ-UHFFFAOYSA-N 348.790 1.263 0 40 EDAB NC(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2Cl)C1 8172671 VWNPLKSPQLWCJS-LLVKDONJSA-N 344.242 1.807 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cnc2c(c1)c(C)nn2C 69161152 HGNXQVOJWRQLQG-SFHVURJKSA-N 349.438 1.950 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)o1 83895830 VTXLVNMBPWSGFK-JTQLQIEISA-N 329.374 1.256 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69464023 XGENZOVFVGYNEG-HOTGVXAUSA-N 333.432 1.806 0 40 EDAB CCC(C)(C)NC(=O)CNc1ccc(OC)c(-n2nnnc2C)c1 69416067 NQJNKGLQXKKJCT-UHFFFAOYSA-N 332.408 1.696 0 40 EDAB CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 8476142 OJZWMWQFKQGXNU-UHFFFAOYSA-N 340.445 1.962 0 40 EDAB Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 69529094 HWQIAHCQHGVZIO-CQSZACIVSA-N 334.445 1.363 0 40 EDAB CCOc1ccc(S(=O)(=O)NC(=O)C[C@@H](C)OC)cc1OCC 69707966 SIYDYEAYVXGGHZ-LLVKDONJSA-N 345.417 1.714 0 40 EDAB COC[C@@](C)(NC(=O)c1cc(C2CC2)nc2ccccc12)C(N)=O 69843767 AVWRCFQNFCVMQD-GOSISDBHSA-N 327.384 1.732 0 40 EDAB CCN1CCC(NC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)CC1 69949023 PKLPJBCNTUYCDH-OAHLLOKOSA-N 334.468 1.705 0 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333.779 1.557 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccnc(N3CCOCC3)c2)C[C@@H](C)O1 40511856 OALSLKJFAOVJAA-OKILXGFUSA-N 334.420 1.237 0 40 EDAB CC1CCN(CCNC(=O)c2ccc(Cn3ccccc3=O)o2)CC1 40534655 LLGSANBXPRUWJM-UHFFFAOYSA-N 343.427 1.951 0 40 EDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@H](C)O[C@H](C)C1 40540094 GRSOHJYGJRAOHW-OZVIIMIRSA-N 347.394 1.540 0 40 EDAB COc1cc2ncn(CC(=O)NC3CCCC3)c(=O)c2cc1OC 20722129 BWLJSHDCRBDACI-UHFFFAOYSA-N 331.372 1.473 0 40 EDAB CN(C)c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cn1 32718784 QIYBEZCNENNHAV-UHFFFAOYSA-N 333.413 1.481 0 40 EDAB CCOC(=O)c1cnc(-n2cc(C)cn2)nc1N1C[C@@H](C)O[C@H](C)C1 533002 PLGJGASZZKJDOZ-CHWSQXEVSA-N 345.403 1.761 0 40 EDAB CCS(=O)(=O)CC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 53115344 DQCXRVVGRQJDDP-STQMWFEESA-N 340.445 1.673 0 40 EDAB Cc1cc(CN2CCN([C@@H](C(=O)N(C)C)c3ccccc3)CC2)on1 22254408 BWDRYRGDDTVTQJ-GOSISDBHSA-N 342.443 1.930 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccccc1N1CCOCC1 61133736 MVIJVJNNGRXORM-UHFFFAOYSA-N 333.432 1.510 0 40 EDAB COc1ccc(Br)cc1/C=C/C(=O)Nc1nnn(C)n1 558086 BEEDUIPFLNHKND-ZZXKWVIFSA-N 338.165 1.633 0 40 EDAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)Nc1cccc(F)c1 8914800 CMKCYLOXWZMZBI-UHFFFAOYSA-N 342.330 1.933 0 40 EDAB CCNC(=O)C1CCN(c2nc(Cl)c(C(=O)OC)s2)CC1 53557876 QMRHUDUSGKICRK-UHFFFAOYSA-N 331.825 1.936 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Nc2ncccn2)cc1 79481225 IGZKBEOQZLZYKX-ZDUSSCGKSA-N 332.385 1.137 0 40 EDAB COC[C@H](C)NC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1 47658098 IZONPRQZXSQSBV-QMMMGPOBSA-N 340.323 1.025 0 40 EDAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ncncc3F)C[C@@H]2C1 1146169666 IENIJGXTONEQHW-BETUJISGSA-N 348.403 1.373 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)o1 4288455 SLJOUZNSCPKRBQ-QMMMGPOBSA-N 336.373 1.681 0 40 EDAB O=C1C[C@H]2[C@H](N3CCCC3)CC[C@@H](N1Cc1ccccc1)C2(O)O 6575030 SINUNCSWWDINOL-GVDBMIGSSA-N 330.428 1.343 0 40 EDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cc1cccc(F)c1)C2 106685464 FMXBDQHPZVDNRV-KBPBESRZSA-N 326.393 1.003 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccn1 24051358 LMRZPIFWAHIFAH-JTQLQIEISA-N 333.369 1.566 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N1CCCc2cccc(F)c21 24356410 HKHVJVZXJCMBJR-UHFFFAOYSA-N 338.342 1.910 0 40 EDAB O=C1CCCN1c1ccc(S(=O)(=O)NCC[C@@H]2CCCO2)cc1 24433495 NGSQBSDXJXYJFZ-AWEZNQCLSA-N 338.429 1.661 0 40 EDAB CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 106661465 QMOFHIXMYYTSTP-LSDHHAIUSA-N 329.400 1.716 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 56037165 KASBOPVTYDPGPY-CYBMUJFWSA-N 347.433 1.474 0 40 EDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 107150503 LQGPBRDOHOPJQQ-XUXIUFHCSA-N 333.398 1.860 0 40 EDAB CCn1cc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cn1 43644976 DFXJDBPFGZVISN-QGZVFWFLSA-N 343.431 1.444 0 40 EDAB CC[C@@H]1CN(CCc2nc3ccccc3c(=O)[nH]2)CCN1C[C@H](C)O 107351214 RQPIQAOCSBBLQL-LSDHHAIUSA-N 344.459 1.243 0 40 EDAB Cc1nn(C)cc1CN1CCC2(CC1)CC(NS(C)(=O)=O)C2 108526378 HDXJMEOOFBJCGO-UHFFFAOYSA-N 326.466 1.022 0 40 EDAB CCN(CCCNC(=O)N(C)C(C1CC1)C1CC1)S(C)(=O)=O 58161956 BPPRXRINYFAXOO-UHFFFAOYSA-N 331.482 1.488 0 40 EDAB O=C(CCOCc1ccccc1)NCCn1nc2ccccn2c1=O 57240998 ISTLKQIXVSRYED-UHFFFAOYSA-N 340.383 1.219 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)CCn1cnc2ccccc2c1=O 48265542 SUZVRFRGNORQKN-CQSZACIVSA-N 329.400 1.672 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1cc(-c2ccsc2)n[nH]1 58267749 ODNJSALYVFSIHQ-UHFFFAOYSA-N 345.384 1.395 0 40 EDAB Cc1noc(CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)n1 27717261 LCGCEKMJMVKCMN-OAHLLOKOSA-N 344.371 1.004 0 40 EDAB C[C@H](C(=O)NCc1ccc(F)c(Cn2ccnc2)c1)S(C)(=O)=O 44955558 SEKSWBDWGOSKHX-LLVKDONJSA-N 339.392 1.120 0 40 EDAB CC(=O)N1CCCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1 44972045 BQAGXKPFDUNKFW-UHFFFAOYSA-N 349.387 1.058 0 40 EDAB CCS(=O)(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 58378508 GREZFXYVBCMTKP-UHFFFAOYSA-N 346.474 1.301 0 40 EDAB COCCNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 58368896 AKLWDRRPJPPVHD-UHFFFAOYSA-N 332.257 1.801 0 40 EDAB COc1cc(F)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC 27931822 YBOIBWFXQATZMX-NXEZZACHSA-N 333.381 1.641 0 40 EDAB COC(=O)c1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1 12798919 OJWHXXREGKKWCE-UHFFFAOYSA-N 344.371 1.197 0 40 EDAB Cc1noc(CCNC(=O)N2CCN(c3ccccc3O)CC2)n1 102035601 DFECZSADXAKPHR-UHFFFAOYSA-N 331.376 1.158 0 40 EDAB COc1ccc(NC(=O)COc2ccccc2)cc1-n1cnnn1 36365163 ZEFZICJSVSNWJL-UHFFFAOYSA-N 325.328 1.688 0 40 EDAB CC(C)NC(=O)CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 36589759 AEOHPTHPWXJEFH-GFCCVEGCSA-N 347.371 1.345 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2cc3ccccc3[nH]c2=O)n1 11376341 NSNNPNRKAOMDLD-UHFFFAOYSA-N 328.353 1.265 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11412898 ZEMZLWYFRMQIJI-LLVKDONJSA-N 344.390 1.755 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(C(N)=O)cc1 48326119 GIRUPKVKWLOVPD-MEDUHNTESA-N 326.352 1.630 0 40 EDAB CC(C)CN1C[C@@H](C(=O)Nc2cccc(-n3cnnn3)c2)CC1=O 29781244 PLUQHZYPVPMBKJ-LBPRGKRZSA-N 328.376 1.105 0 40 EDAB Cc1cc(=O)n2nc(N3CCN(c4ccccn4)CC3)sc2n1 48355056 GSDQUKLJARZKCK-UHFFFAOYSA-N 328.401 1.181 0 40 EDAB C[C@H]1Oc2ccccc2N(CC(=O)N(C)Cc2cnn(C)c2)C1=O 24479171 RIWPUAYUEFJDRX-GFCCVEGCSA-N 328.372 1.193 0 40 EDAB CCS(=O)(=O)c1nnc(NC(=O)c2ccc(OC)cc2)s1 13628803 MOKTUHYNXVPBOL-UHFFFAOYSA-N 327.387 1.593 0 40 EDAB CN(CCOc1ccccc1)S(=O)(=O)c1ccc(C(N)=O)cc1 14015901 KACODSOUPVIKFZ-UHFFFAOYSA-N 334.397 1.485 0 40 EDAB NS(=O)(=O)c1ccc(N2CCC(OCc3ccccc3)CC2)nc1 14092827 GPGUEKFPYWHBGK-UHFFFAOYSA-N 347.440 1.915 0 40 EDAB COC(=O)[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 65591638 IWXKFKIAGGSHAW-HOTGVXAUSA-N 327.336 1.857 0 40 EDAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)NCc1nnc2n1CCC2 65563106 IKBGVPTZPJPMQK-LBPRGKRZSA-N 331.424 1.335 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 66084139 ANTONQNNIUOUSC-CQSZACIVSA-N 325.752 1.235 0 40 EDAB CNC(=O)c1cnc(/C=C/c2ccc(OCC(F)F)cc2)[nH]c1=O 95401550 JGCUSEBQRJYOHR-QPJJXVBHSA-N 335.310 1.944 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=O)CCCCCNC(N)=O)c(C)c1 14941461 RDXSGOPGHYWBMR-UHFFFAOYSA-N 348.447 1.895 0 40 EDAB CN(Cc1ccc(OCC(=O)N2CCCCC2)cc1)S(C)(=O)=O 408705321 CBLJRSMFABPFSE-UHFFFAOYSA-N 340.445 1.469 0 40 EDAB CCn1c(S[C@@H]2CCOC2=O)nc2cc(S(N)(=O)=O)ccc21 6977193 DHDXXIPIYBPGFF-LLVKDONJSA-N 341.414 1.111 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 16379158 FFBNWGMSVGIZQV-SFHVURJKSA-N 340.427 1.696 0 40 EDAB CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CCO1 68724585 NUZPWVFISCDJOA-JTQLQIEISA-N 338.326 1.787 0 40 EDAB C[C@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 16582798 QNZZNVNNIRQMCC-ZFWWWQNUSA-N 345.399 1.562 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)on1 71828057 FGIYBBJYHHWGLG-OAHLLOKOSA-N 331.420 1.702 0 40 EDAB COC(=O)[C@H]1CN(Cc2nnc(C3CC3)n2C)c2ccccc2O1 71896952 NUWTYJYRZQQVQU-CQSZACIVSA-N 328.372 1.633 0 40 EDAB O=C(NC1(C(=O)O)CCCCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 71802824 MQFMOFUHEOKQOA-OAHLLOKOSA-N 344.411 1.939 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3cncnc3C(C)C)CC2)no1 71800084 UBHZGIKWBMLJNG-UHFFFAOYSA-N 329.404 1.854 0 40 EDAB CCOC(=O)N(C)Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 8314102 JRGHCKTTWSNYPJ-LBPRGKRZSA-N 329.422 1.448 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H](n2cccn2)C1 69485180 BCZRTTSWWQCZMO-NSHDSACASA-N 327.310 1.962 0 40 EDAB Cn1cnc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)n1 91774185 KEWCILIQKSMJRJ-UHFFFAOYSA-N 334.811 1.500 0 40 EDAB CN1CC[C@@H](N(C)C(=O)CCc2nnc(-c3ccccc3)o2)C1=O 83877450 FPFFLHAPHXKVTK-CYBMUJFWSA-N 328.372 1.358 0 40 EDAB CC1CCN(CCNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1 71911640 RBFRDXURPAHPPE-SJLPKXTDSA-N 344.459 1.449 0 40 EDAB COC(=O)c1cc(CNC(=O)CN2CCSC2=O)ccc1OC 18069502 PASGSWGRGZKIIJ-UHFFFAOYSA-N 338.385 1.267 0 40 EDAB c1ccc(-n2nnnc2CNC[C@@H]2CCCN2c2cccnn2)cc1 69810610 NFYJGWZBTUGRKJ-HNNXBMFYSA-N 336.403 1.211 0 40 EDAB CC(=O)N1CSC[C@H]1C(=O)N1CCC(Nc2ccc(C)nn2)CC1 69899569 IRPHVKBDLKHFIM-AWEZNQCLSA-N 349.460 1.109 0 40 EDAB Cc1ccc(CNC(=O)CN(C)CC2CCN(C[C@@H](C)O)CC2)cc1 69947584 GHASHPFQLUOYMI-QGZVFWFLSA-N 347.503 1.636 0 40 EDAB CN(CCc1nc2ccccc2c(=O)[nH]1)CC1CCN(CCO)CC1 69977210 BMLHIUPHSJVAOQ-UHFFFAOYSA-N 344.459 1.102 0 40 EDAB COc1ccc(S(=O)(=O)CCn2cnc3ccccc3c2=O)cc1 83950070 SVBFGJXYMOWTMA-UHFFFAOYSA-N 344.392 1.879 0 40 EDAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)S(C)(=O)=O)c1C 95407402 XIXNGUVXYPPVEA-CQSZACIVSA-N 340.445 1.683 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cnc3ccsc3c2)C1 97051875 GZQWOSHUKFHNRP-LBPRGKRZSA-N 325.459 1.810 0 40 EDAB COc1ccc(OC)c(CNCCNc2cc(C)nc3ncnn23)c1 72294573 QVWOWNYOQCMXJE-UHFFFAOYSA-N 342.403 1.652 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(CCOc3ccccc3F)CCO2)n1 72253426 IKHVCTNXYTYNCL-OAHLLOKOSA-N 334.395 1.814 0 40 EDAB COC(=O)CN1CCCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 72297794 MTBIKWPMOJQJOC-UHFFFAOYSA-N 342.399 1.193 0 40 EDAB C[C@H]1CC[C@@H](C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)O1 95977009 KIDRKKAYYRGNCO-BBRMVZONSA-N 328.416 1.775 0 40 EDAB Cc1cc([C@](C)(O)CNS(=O)(=O)c2c[nH]c3ncccc23)c(C)o1 89580369 JROXXYGTBMZHTN-MRXNPFEDSA-N 349.412 1.959 0 40 EDAB COc1ccccc1N1CCN(C(=O)c2ccc(C)[nH]c2=O)CC1 75118509 UFYZTLGOMPWJAR-UHFFFAOYSA-N 327.384 1.654 0 40 EDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3nc(C4CC4)no3)C2)C1=O 89914283 MXRMFLDIZVSTIE-BDJLRTHQSA-N 333.392 1.099 0 40 EDAB O=C(NCCCCN1CCN(CCO)CC1)Nc1ccccc1F 75612511 QYAJUMQWIYVDLZ-UHFFFAOYSA-N 338.427 1.337 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)NCc2cccnc2)ccc1F 69716772 KJKBPOAWFPTNDF-UHFFFAOYSA-N 327.323 1.827 0 40 EDAB C[C@H](CNC(=O)N1CCCN(c2nccs2)CC1)Cn1cccn1 64758933 VVIHVMSLGYYMBJ-CQSZACIVSA-N 348.476 1.898 0 40 EDAB CNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 22278254 HKVJJSQUMABKKJ-UHFFFAOYSA-N 334.397 1.637 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NC(C)(C)CNC(=O)OC(C)(C)C 69537667 QSWPJQDKIVVRRF-UHFFFAOYSA-N 338.452 1.999 0 40 EDAB COc1ccc(N2C(=O)[C@H]3C(C(=O)c4ccco4)=NO[C@H]3C2=O)cc1 3848996 KSPXJRDIKWFAOB-SWLSCSKDSA-N 340.291 1.415 0 40 EDAB biogenic O=C(NCCCn1ccnc1)c1c(-n2cnnn2)sc2c1CCC2 524732309 JIRDSNWGJAMERA-UHFFFAOYSA-N 343.416 1.229 0 40 EDAB CCn1ncc(CN2C(=O)N[C@]3(CCc4ccc(OC)cc43)C2=O)n1 521395003 NXENBNLUEAGOHA-KRWDZBQOSA-N 341.371 1.200 0 40 EDAB C[C@@H]1OCc2cc(=O)n(CC(=O)NCc3ccc(Cl)cc3)nc21 72342378 DPCYDULPMUYRLJ-JTQLQIEISA-N 333.775 1.804 0 40 EDAB CC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3)C2)CC1 78604726 MAYRLDFFBNIVBO-MRXNPFEDSA-N 330.432 1.575 0 40 EDAB Cc1noc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)n1 70655674 KYVYEHJOOBPWDC-UHFFFAOYSA-N 343.387 1.938 0 40 EDAB O=C(NCCCn1ncccc1=O)c1cncc(Br)c1 38517348 SUEUDOHNAJIVIM-UHFFFAOYSA-N 337.177 1.221 0 40 EDAB CCOC(=O)N1C(C)(C)CC(N[C@@H]2CCS(=O)(=O)C2)CC1(C)C 217356802 KSMFADAZZKPSQG-GFCCVEGCSA-N 346.493 1.941 0 40 EDAB CC(C)[C@H](N)C(=O)N1CC[C@H](CNC(=O)OCc2ccccc2)C1 79413152 SYTBZIVYEYSNCC-CVEARBPZSA-N 333.432 1.745 0 40 EDAB O=C(c1cn(CC[C@H]2CCCCN2)nn1)N1Cc2ccccc2C1 77504381 YHQWYNSYFDHCGV-MRXNPFEDSA-N 325.416 1.966 0 40 EDAB CCc1noc(C)c1CN1C[C@H](c2cnn(C)c2C)[C@@H](C(N)=O)C1 527575523 ZHBAIUGMXVXEDM-CABCVRRESA-N 331.420 1.288 0 40 EDAB O=C(COCc1ccccc1)N1CCc2nc3ccccn3c(=O)c2C1 225777636 KBWJOLPQVWJHBY-UHFFFAOYSA-N 349.390 1.796 0 40 EDAB O=C(O)[C@H]1CCN(C(=O)/C=C/c2c(Cl)nc3sccn23)C1 62117849 MYPFGLCMOLPDPQ-CMLYIYFCSA-N 325.777 1.996 0 40 EDAB CCNC(=O)N1CC[C@@H](NC(=O)N2CCC=C(Br)C2)C1 225653601 NRCOBOLRCIAWMK-LLVKDONJSA-N 345.241 1.484 0 40 EDAB CCC(=O)NS(=O)(=O)Cc1cc(OC)ccc1Br 225789864 RQWZEYHXKFANNG-UHFFFAOYSA-N 336.207 1.814 0 40 EDAB CC(C)CNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 40312934 UJQCOUPSPAIIOO-UHFFFAOYSA-N 328.372 1.362 0 40 EDAB biogenic COc1ccc([C@@H](CC(=O)NC(C)(C)C)NS(C)(=O)=O)cc1 225954582 MXNZVLYGKOCXSG-CYBMUJFWSA-N 328.434 1.590 0 40 EDAB COc1cc(N2CC[C@]3(CC(=O)N(c4cccnc4)C3)C2)ncn1 96239091 AZYXWXVVGYNEAR-KRWDZBQOSA-N 325.372 1.514 0 40 EDAB Cc1nc(CN2CC[C@@]3(CCCN(S(C)(=O)=O)C3)C2=O)cs1 96224387 MFXRDONLAKMICG-CQSZACIVSA-N 343.474 1.226 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@@H](N3CCOCC3)C[C@@H]2C(=O)O)cc1 96069088 KRZHWQSCVFYENW-IAGOWNOFSA-N 346.427 1.314 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC[C@H](C(=O)N3CCCC3)O2)CC1 96061252 FYVIUCJIAFARDL-OAHLLOKOSA-N 344.415 1.253 0 40 EDAB O=C(c1ccncn1)N1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 97953750 UHBZJGMTCSBWNU-YESZJQIVSA-N 340.383 1.460 0 40 EDAB O=C(c1cnccn1)N1CCc2ncnc(-c3cccnc3)c2CC1 96066741 DOHSPTIJMHKLNC-UHFFFAOYSA-N 332.367 1.570 0 40 EDAB NC(=O)[C@H]1CCCN(Cc2cccc(CN[C@@H]3CCSC3)c2)C1 96477354 HLJKGWALGYUKPT-DLBZAZTESA-N 333.501 1.979 0 40 EDAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNS(C)(=O)=O)C3)cc1 96296248 SYMNJCIJJWTBCW-ZDUSSCGKSA-N 337.401 1.007 0 40 EDAB biogenic,in-vitro C[C@H](NCC1(c2ccc(Br)cc2)CCOCC1)C(N)=O 96501958 PPUGLRKGVVRKFL-NSHDSACASA-N 341.249 1.961 0 40 EDAB Cc1nn(CCO)c(C)c1CN[C@@H]1CCc2nnc(C(C)C)n2C1 97199428 FEBGPYIVCRXCDR-CQSZACIVSA-N 332.452 1.312 0 40 EDAB CN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)C1=O 96415491 PWKNQVZTINIEMX-DGCLKSJQSA-N 338.358 1.073 0 40 EDAB Cc1cc(NC(=O)N(C)C[C@@H](O)CN2CCN(C)CC2)ccc1F 96434649 JDSFQJCPGLUENA-OAHLLOKOSA-N 338.427 1.206 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(C)nc3c1c(C)nn3C)C2 97198051 NVMRSEGAZMBIQJ-CYBMUJFWSA-N 338.415 1.835 0 40 EDAB Cc1ccoc1C(=O)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 96188631 PXLJZGGRXWZEOS-CYBMUJFWSA-N 326.360 1.348 0 40 EDAB Cn1nnnc1CN(CC(=O)O)Cc1cccc(Br)c1 581018453 YIXCEVXSVLCAES-UHFFFAOYSA-N 340.181 1.059 0 40 EDAB CCn1nc(C)c(NC(=O)c2ccc(Br)o2)c1C(N)=O 96182130 VADHIYYEKFMJCW-UHFFFAOYSA-N 341.165 1.918 0 40 EDAB COc1ccc(CN2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)cc1 96040802 CINVPWGGARQOIZ-NXHRZFHOSA-N 346.427 1.554 0 40 EDAB Cc1ccoc1C(=O)NC1CCN(CCOC[C@H]2CCCO2)CC1 96421091 JYWXOGXJXQSDRK-MRXNPFEDSA-N 336.432 1.978 0 40 EDAB CN(C)CCN1CCC(NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)CC1 96499706 NYWAKYNDLRIWDY-OAHLLOKOSA-N 340.512 1.658 0 40 EDAB O=C(NC1CC1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 96239737 ITXLYTPGVPHQSB-HNNXBMFYSA-N 337.374 1.886 0 40 EDAB Cc1nnc(N2CCOC[C@@]3(CCCN(C(=O)c4ccoc4)C3)C2)o1 96049698 AODQOYHHCDLNSF-QGZVFWFLSA-N 346.387 1.730 0 40 EDAB Cc1ccnc(OC[C@]23COC[C@H]2CN(C(=O)c2ccoc2C)C3)n1 96111010 RWGZHGJLBCCELF-KDOFPFPSSA-N 343.383 1.854 0 40 EDAB CN(C)C(=O)[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21 248016074 QFXIKUDRDQCCHX-CQSZACIVSA-N 328.372 1.257 0 40 EDAB O=C(C(C1CC1)C1CC1)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 585128680 KDKSLDMRXSTOEK-HNNXBMFYSA-N 340.489 1.144 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cccnn3)CC2)C[C@H](O)C1(C)C 257238455 HLBBJYNOHCTJEI-HNNXBMFYSA-N 346.431 1.091 0 40 EDAB Cc1cnc(C(=O)N2C[C@H]3CC[C@@H](N(C)c4cccnn4)[C@H]3C2)cn1 257217495 CZFFEVWRUFESPW-IJEWVQPXSA-N 338.415 1.562 0 40 EDAB Cc1ccsc1C(=O)NCCn1nnc2ccc(F)cc2c1=O 253408174 XEBSSVOCFDUAQD-UHFFFAOYSA-N 332.360 1.731 0 40 EDAB O=C1CCC[C@]2(CN(C(=O)c3c[nH]c(O)n3)C[C@H]2c2ccccc2)N1 257261289 LGOWPNDFCDSDJK-SCLBCKFNSA-N 340.383 1.394 0 40 EDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)CCN(C)Cc1cccnc1 257304797 SNEQOQJFZRJKGR-MRXNPFEDSA-N 343.431 1.535 0 40 EDAB CCn1nccc1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1 257319548 VSZFLLCOQAPTOA-LBPRGKRZSA-N 335.433 1.499 0 40 EDAB CNc1nc([C@H]2CCCN(C(=O)c3cnccn3)C2)cn2nccc12 257231119 GFIMYUNYKSRZKI-LBPRGKRZSA-N 337.387 1.581 0 40 EDAB COCCN(C)C(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1 257247520 IZIHPRDJEQWQLR-WBVHZDCISA-N 334.416 1.327 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)c3cccnn3)CC2)cn1 257271921 NAJAGSHICDXMIE-UHFFFAOYSA-N 340.431 1.423 0 40 EDAB CC(C)n1cnc(C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)c1 252523206 CBIZKPODYHJJHY-INLLZZTASA-N 327.428 1.703 0 40 EDAB CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1cccc(CC(=O)O)c1 263020245 YCKRZSSJJUQWBK-AWEZNQCLSA-N 333.388 1.835 0 40 EDAB CC(=O)NC[C@@H]1CN(Cc2c(C)nsc2C)C[C@H]1c1cncn1C 1615554051 WAWOPWOJDROXBB-GDBMZVCRSA-N 347.488 1.845 0 40 EDAB C[C@@H]1C(=O)N(C)CN1c1cc(I)cc(F)n1 1616182515 WYNIJGZXAHMBGA-ZCFIWIBFSA-N 335.120 1.450 0 40 EDAB O=C(c1ccnnc1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575403971 JVWLDIOBUFKMDX-INIZCTEOSA-N 335.367 1.777 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)c2nccn2C)C1 585275656 CYIWUNJFWZUCIL-GOSISDBHSA-N 329.400 1.775 0 40 EDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)c2ccc3ncccc3c2)C1 585277670 KELJJZCBJIKMSP-IBGZPJMESA-N 341.411 1.728 0 40 EDAB Cc1cnn(CC(=O)N2CCO[C@](CO)(Cc3cccc(F)c3)C2)c1 585275893 AVEUJOYJIYYJPR-GOSISDBHSA-N 347.390 1.163 0 40 EDAB O=C(O)Cc1ccc(S(=O)(=O)N2CCC[C@@H](OC(F)F)C2)cc1 926529595 GJNQTAICUMUSLW-LLVKDONJSA-N 349.355 1.706 0 40 EDAB CC[C@H](NC(=O)NCc1ccco1)c1cccc(S(N)(=O)=O)c1 71803851 KLNYABWNAJNUQL-AWEZNQCLSA-N 337.401 1.878 0 40 EDAB O=C1CSCN1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 53357629 RNMUPQFCMNETAA-CYBMUJFWSA-N 330.413 1.759 0 40 EDAB CNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1Br 37396716 MDAGNWBKWIEJAQ-UHFFFAOYSA-N 335.223 1.124 0 40 EDAB COC(=O)NCC(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 55260714 ASLRVFBPBZUUAK-MRXNPFEDSA-N 333.432 1.542 0 40 EDAB Cc1ccc(C(=O)NCCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 101572139 VATWSURBPRAJTN-JURCDPSOSA-N 344.436 1.984 0 40 EDAB C[C@@H](Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)NC(N)=O 58194719 HGWVIPHGJRUNCS-KOLCDFICSA-N 341.795 1.893 0 40 EDAB Cc1cc(S(=O)(=O)N2CC(OC[C@@H]3CCOC3)C2)ccc1F 1565522795 QSONNOLARFKHNI-GFCCVEGCSA-N 329.393 1.560 0 40 EDAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(C(N)=O)cc1 58367864 FXVLAVZKXDBAJD-UHFFFAOYSA-N 341.367 1.748 0 40 EDAB CC(=O)N1CCOC[C@H]1C(=O)NCCSCc1ccc(C)cc1 95441913 BOOFEDQWHAOLIQ-INIZCTEOSA-N 336.457 1.592 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 95964391 PJIFBTBJURJUPW-ONGXEEELSA-N 336.335 1.227 0 40 EDAB O=C(Nc1cccc(C2SCCS2)c1)C(=O)N1CCOCC1 84374356 CVRBUYMMQGTILC-UHFFFAOYSA-N 338.454 1.963 0 40 EDAB COc1cc(F)c(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)c(F)c1 1615613323 VIQUPTHUDVRKLG-MRVPVSSYSA-N 333.356 1.669 0 40 EDAB O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccc(F)c(F)c1 1775973786 FRRIIVVDFUWEOF-UHFFFAOYSA-N 346.399 1.498 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(COc2ccccc2)o1 11851777 AAZRJLFPCVVHDL-LBPRGKRZSA-N 335.381 1.776 0 40 EDAB O=C1COc2ccc(S(=O)(=O)NCCCc3ccccn3)cc2N1 12148091 BNJAUGPXZGHIJF-UHFFFAOYSA-N 347.396 1.324 0 40 EDAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)NC(C)(C)C)nc3c12 12276441 ZNJTYKWVTUNXHQ-UHFFFAOYSA-N 347.444 1.891 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 18704019 QBKPECXZSXCWTD-WSKFYRRCSA-N 336.388 1.366 0 40 EDAB O=C(c1cc(C2CC2)on1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19292205 BCASGFXUQBYAPV-HNNXBMFYSA-N 339.399 1.965 0 40 EDAB COCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1 22999838 ZQTLVSSRESMBBS-UHFFFAOYSA-N 346.880 1.977 0 40 EDAB COc1cncc(O[C@@H]2CCCN(C(=O)c3c(C)nn(C)c3C)C2)n1 225500407 IMXVGMPSRZFWEN-CYBMUJFWSA-N 345.403 1.519 0 40 EDAB COCC(=O)N[C@@H](C)c1nc2cc(-c3ccccc3F)ncn2n1 19574518 DUROJENUTCPLNA-JTQLQIEISA-N 329.335 1.754 0 40 EDAB COc1ccc(CN(C)[C@@H](C)C(=O)NC(=O)NC2CC2)c(OC)c1 11215834 NFCLEJUBXGOOLV-NSHDSACASA-N 335.404 1.512 0 40 EDAB CN1C[C@@H](C(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)CC1=O 1888844074 WEJCIXAMJIFXHP-JSGCOSHPSA-N 344.415 1.060 0 40 EDAB Cc1ccccc1CN1[C@@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@H]1CO 2037971206 GFLHXZSRXOCNBX-ZGXWSNOMSA-N 327.424 1.505 0 40 EDAB COCCn1cc2c(n1)[C@@H](CNC(=O)Cc1ccc(F)cn1)OCC2 1614940292 KVMUDHUHSZLSJA-OAHLLOKOSA-N 348.378 1.036 0 40 EDAB Cn1nccc1C(=O)N1CC[C@]2(CCC[C@H](CN3CCCC3)O2)C1 1565542481 FZFJPWBTWZHKJN-CRAIPNDOSA-N 332.448 1.670 0 40 EDAB COc1cc(C(=O)N2CC[C@@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)on1 2055759313 KZAIGYRWHDAVGX-CKYFFXLPSA-N 333.348 1.102 0 40 EDAB O=c1cc(C2CC2)ncn1CCNS(=O)(=O)/C=C/c1ccccc1 575606873 KORNAIOPHPNLSV-DHZHZOJOSA-N 345.424 1.711 0 40 EDAB COC(=O)[C@H](C)Sc1nnc(CNC(=O)c2ccc(F)cc2)o1 5107499 FMVWLUMBHPQQPL-QMMMGPOBSA-N 339.348 1.792 0 40 EDAB COc1cccc(-c2nnn(C[C@@H](O)COc3ccccc3)n2)c1 40496273 KYSSHZJBTBBJEC-CQSZACIVSA-N 326.356 1.789 0 40 EDAB Cc1ccc(-c2nnc(CN3C(=O)N[C@]4(CCSC4)C3=O)o2)cc1 31608924 IMPZYWJZGDPEEA-INIZCTEOSA-N 344.396 1.973 0 40 EDAB O=C1CN(c2ccc(NC(=O)Cc3ccccc3Cl)cn2)CCN1 31738449 IREDLPKTOURDHL-UHFFFAOYSA-N 344.802 1.852 0 40 EDAB CCc1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 40526019 ZLJXSMKXKFHRIP-UHFFFAOYSA-N 340.449 1.205 0 40 EDAB COc1cccc(CS(=O)(=O)[C@@H](C)C(=O)NC[C@@H]2CCCO2)c1 40528802 FDUVFAIDGNXUAM-WFASDCNBSA-N 341.429 1.294 0 40 EDAB CCOc1ccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 40515760 UAIAYDJMDJWZHM-CYBMUJFWSA-N 340.445 1.487 0 40 EDAB O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1cn[nH]c1 40555292 BHBJYEVTCVVRAP-UHFFFAOYSA-N 346.368 1.734 0 40 EDAB Cc1cc(C)n2nc(SCC(=O)Nc3nnc(C(C)C)o3)nc2n1 32831907 MCOXSBIOGDHTMP-UHFFFAOYSA-N 347.404 1.978 0 40 EDAB Cc1noc(C)c1CC(=O)NCc1ccccc1Cn1cncn1 32818650 AIIVFMYUVIKBPD-UHFFFAOYSA-N 325.372 1.790 0 40 EDAB C[S@@](=O)c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 21643397 NQMREVQMSIBROF-QHCPKHFHSA-N 348.405 1.850 0 40 EDAB O=C1C[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 32912364 RNFATVDOXINBGM-GZMMTYOYSA-N 330.203 1.599 0 40 EDAB COc1cc(C)c(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC 32912513 LAIKUFJRNYJNDF-ZYHUDNBSSA-N 325.386 1.162 0 40 EDAB Cc1nc(CCNC(=O)Cn2c(=O)n(C)c3ccccc32)cs1 32905529 LGWUIFMBAXICCX-UHFFFAOYSA-N 330.413 1.464 0 40 EDAB CC(C)COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 490208 VJZIHLZSWKYKRS-SFUJAXRZSA-N 335.400 1.147 0 40 EDAB biogenic CCOc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C 378863 DYDKOOZWFBQTHL-UHFFFAOYSA-N 348.790 1.534 0 40 EDAB Cc1nc2c(cc1C(=O)N[C@@H](C)CN1CCOCC1)c(C)nn2C 47151627 ZHQUXFMCJCDYQX-NSHDSACASA-N 331.420 1.036 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@@H](c2ccc(F)cc2)N1 12345909 OSKOTDUEOYPQIN-SWLSCSKDSA-N 331.347 1.455 0 40 EDAB CC(=O)N1CCN([C@H]2CN(CCCOc3ccccc3)C[C@@H]2C)CC1 78895955 XSECKDHPYBYGQE-PXNSSMCTSA-N 345.487 1.940 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 22838216 YVPADEXULJSETC-LBPRGKRZSA-N 332.356 1.396 0 40 EDAB COc1ccc(Nc2nc(N3CCN(C)CC3)nc3[nH]ncc23)cc1 23136005 QZIQJUTYZIVLMT-UHFFFAOYSA-N 339.403 1.857 0 40 EDAB C[C@@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)N1CCO[C@H](C)C1 24061044 HGVPPHPHHRNLRV-OLZOCXBDSA-N 331.416 1.860 0 40 EDAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccsc2)CC1 24173888 NOIZMNUNRLYWJY-UHFFFAOYSA-N 340.401 1.642 0 40 EDAB COc1ccccc1[C@@H](CNc1ccc2nnnn2n1)N1CCCC1 24903458 CABCVPCEOKIYBC-CQSZACIVSA-N 339.403 1.777 0 40 EDAB Cc1ccc(N2CCC[C@@H](N[C@@H](C(N)=O)c3ccc(F)cc3)C2)nn1 106774506 MECWRFLAQSCKTA-NVXWUHKLSA-N 343.406 1.709 0 40 EDAB COC(=O)COc1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)c(C)c1 55907742 GVQVQARLSZXEHE-ZDUSSCGKSA-N 348.399 1.742 0 40 EDAB O=C(N[C@H](CCO)c1ccccc1)[C@@H]1CCCN(C(=O)C2CC2)C1 84522406 ZGZPHIZMRSFMMD-IAGOWNOFSA-N 330.428 1.875 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)CCc2cccs2)c1 27302064 VUICGARFWYOFRM-UHFFFAOYSA-N 338.454 1.905 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 95395471 MBAIILPSKWORDK-ONGXEEELSA-N 333.310 1.673 0 40 EDAB C[C@@H](NS(=O)(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1 48232190 UANFVAJQMVNJKE-SNVBAGLBSA-N 338.351 1.933 0 40 EDAB CC(=O)N[C@@H](C(=O)Nc1nc(CN2CCOCC2)cs1)C(C)C 44895419 BVCSFBDNLBOCRL-CYBMUJFWSA-N 340.449 1.075 0 40 EDAB Cc1c(Cl)cccc1NC(=O)C[C@H]1SC[C@@H](C(=O)O)NC1=O 20635188 IOPQGJXUECBLAM-WDEREUQCSA-N 342.804 1.662 0 40 EDAB C[C@@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)S(C)(=O)=O 58298395 NAJUDLKTTZDOJM-HOCLYGCPSA-N 338.473 1.590 0 40 EDAB O=C(CCNC(=O)[C@H]1Cc2ccccc2S1)NCc1cccnc1 58278419 RCMGQUQIQYBBAW-MRXNPFEDSA-N 341.436 1.921 0 40 EDAB COc1ncccc1CNC(=O)NC[C@H](O)c1ccc(F)c(F)c1 44955260 GTUPOPNHGOQWLR-AWEZNQCLSA-N 337.326 1.901 0 40 EDAB C[C@H](NC(=O)NCCCNS(C)(=O)=O)c1ccccc1Cl 44908684 QOLAFCTWXIGRKB-JTQLQIEISA-N 333.841 1.640 0 40 EDAB Cc1ccc([C@H](CNC(=O)C2=NN(C)C(=O)CC2)N2CCCC2)cc1 58341005 RIMUIUAWFGJYQS-KRWDZBQOSA-N 342.443 1.856 0 40 EDAB CC[C@H](C(N)=O)N1CCN(Cc2ccc(Br)s2)CC1 58356286 ARNBXYZUTKMZET-LLVKDONJSA-N 346.294 1.892 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)[C@@H]2CCCO2)cc1 3417908 JVRIRDIEKAVRRM-AWEZNQCLSA-N 334.372 1.114 0 40 EDAB CC(=O)Nc1cccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1 3461686 ATHNFWKYRFAYGC-UHFFFAOYSA-N 347.371 1.570 0 40 EDAB O=C(CSc1ncnc2ccccc12)N[C@@H]1CCS(=O)(=O)C1 3531118 ISEIDMOSLJSCTH-SNVBAGLBSA-N 337.426 1.025 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCCc2ccc(OC(F)(F)F)cc2)C1 46691508 WTSFORVDNDFWPX-NSHDSACASA-N 345.321 1.645 0 40 EDAB CCn1c(SCC(=O)NCC(C)C)nnc1-c1cc(C)n(C)n1 2793467 LDJZXJGPBKXTFO-UHFFFAOYSA-N 336.465 1.871 0 40 EDAB CCn1cc(NC(=O)c2ccc(Br)o2)c(C(N)=O)n1 2780656 IHSSOVCFMBDDQH-UHFFFAOYSA-N 327.138 1.610 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c(C)c1 95457678 AQSPPIPUIYKFMP-CZUORRHYSA-N 341.429 1.620 0 40 EDAB COC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 13340372 IZPKJDCLDONLHW-UHFFFAOYSA-N 335.337 1.972 0 40 EDAB Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1N 5030723 CCHBBJKNJGVYOT-UHFFFAOYSA-N 338.396 1.872 0 40 EDAB CCOc1ccc(C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)cn1 95469335 BVZODBIJWHOEMB-AWEZNQCLSA-N 329.331 1.765 0 40 EDAB CC(C)Cn1cc(C(=O)N(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)cn1 96005763 PEMIIVADNWGVNK-KBPBESRZSA-N 327.450 1.577 0 40 EDAB O=C1c2ccccc2C(=O)N1Cc1cnc(N2CCOCC2)s1 6283411 FUSROKGNQXSRTO-UHFFFAOYSA-N 329.381 1.776 0 40 EDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 13986340 OXIDYXLGSMDYIN-KRWDZBQOSA-N 348.410 1.667 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1c(F)cccc1F 14115241 YATWSHMZMRFZDP-OAHLLOKOSA-N 345.349 1.816 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1nc(C2CC2)n(-c2ccccc2)n1 65612132 SSPOWGBGXUZLQD-LBPRGKRZSA-N 346.412 1.062 0 40 EDAB C[C@H]1CN(CC2CCN(CC(=O)NC3CCCC3)CC2)C[C@@H](C)O1 65624490 IGAAEGZJMYRMQZ-IYBDPMFKSA-N 337.508 1.866 0 40 EDAB O=C(C1CC1)N1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 14242582 MEYUXFRROLGQOH-SFHVURJKSA-N 341.455 1.904 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(-c2ccco2)[nH]c1=O 66369055 PWNKKUXCJJDDBF-SNVBAGLBSA-N 338.385 1.140 0 40 EDAB Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 9455203 YPNWJVHOBWPSLT-QMMMGPOBSA-N 333.300 1.478 0 40 EDAB CCOC(=O)[C@H](C)N(C)S(=O)(=O)c1ccc(OCCOC)cc1 75110673 LBKZUOYHBDQHCY-LBPRGKRZSA-N 345.417 1.284 0 40 EDAB C[C@H](CCNC(=O)N1CCO[C@@H](Cc2ccccc2)C1)[S@](C)=O 96494034 HWBGDFPSDMRUIV-KKAKJJSRSA-N 338.473 1.797 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCC(F)(F)F 75121516 RUSZEIOCJGEHTJ-UHFFFAOYSA-N 326.278 1.361 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccncc4)[C@H]3C2)no1 306132455 LJJRAQXQFAXWFI-USXIJHARSA-N 342.399 1.255 0 40 EDAB O=C(NCCCn1cccn1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 80989162 MBFAOZXEUNNDMK-OAHLLOKOSA-N 347.463 1.754 0 40 EDAB Cc1cc(=O)n2nc(CSc3nnc(C)n3C3CC3)sc2n1 7841231 GNRXKICFETZFRN-UHFFFAOYSA-N 334.430 1.987 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)NCCCc2ccccc2)C[C@H]1C 71864238 SRSNPWLPACVKOV-IAGOWNOFSA-N 333.476 1.122 0 40 EDAB Cc1nc(NC(=O)CN2CCN(C[C@@H](C)O)[C@H](C)C2)sc1C 71864413 KKXVEOZASNAIMU-GHMZBOCLSA-N 326.466 1.085 0 40 EDAB CCCC(=O)N1CCCN(Cc2nc3ccsc3c(=O)[nH]2)CC1 71821798 JWCYCDHQSODCQS-UHFFFAOYSA-N 334.445 1.819 0 40 EDAB CCOC(=O)C1=C(CN2c3ccccc3C[C@@H]2C)NC(=O)N[C@H]1C 8232189 VYMUDYIANGFTSE-RYUDHWBXSA-N 329.400 1.956 0 40 EDAB Cc1nccn1[C@@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)C1 70005056 IAQRUHJALJOMOC-CQSZACIVSA-N 339.461 1.712 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)CCn1cc(Br)ccc1=O 70040658 UQVJMNKBQYCGGG-WDEREUQCSA-N 343.221 1.637 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)Cc2c(C)nc(C)[nH]c2=O)c1 70039976 RQPNSSIPXSYYPV-CQSZACIVSA-N 329.404 1.125 0 40 EDAB Cc1cnn([C@H](C)[C@@H](C)NCc2cnc(N3CCOCC3)nc2)c1 69463882 VJVWPNSVBZKZRN-HUUCEWRRSA-N 330.436 1.557 0 40 EDAB CCOCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 69439196 UMJMYCMMTGBODR-GFCCVEGCSA-N 346.474 1.444 0 40 EDAB CN(C)c1ccc(CNC(=O)[C@H](Cc2ccccc2)N(C)C)cn1 69517545 BCEXXZFUQGQJDN-KRWDZBQOSA-N 326.444 1.937 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cc(C(C)(C)C)n[nH]1 69582057 VCYOPJUOOPWNBV-UHFFFAOYSA-N 342.403 1.841 0 40 EDAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCCC[C@@H]2CCO)cc1 69663932 XQWWYFSMNLMFFB-IAGOWNOFSA-N 336.432 1.622 0 40 EDAB COc1ccccc1CNC(=O)Nc1cccc(CS(N)(=O)=O)c1 69654852 HUDNPWFNONQNPQ-UHFFFAOYSA-N 349.412 1.805 0 40 EDAB CN(C[C@@H]1CN(Cc2nnc(C3CC3)o2)CCO1)c1cccnn1 83859340 IIPNZDJZJAKKGK-CYBMUJFWSA-N 330.392 1.074 0 40 EDAB COc1ccc(CC(=O)OCCCn2nc3ccccn3c2=O)cc1 71914630 KFVUBXMEDXUTBT-UHFFFAOYSA-N 341.367 1.681 0 40 EDAB CS(=O)(=O)c1ccc(OCCNc2cc(Cl)nc(N)n2)cc1 69774919 XFOSMBMGLVALCE-UHFFFAOYSA-N 342.808 1.607 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2)CC1 69773700 ZIGCLIHXJPWVQC-LLVKDONJSA-N 327.222 1.588 0 40 EDAB CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1ccc(C)s1 69739292 YOBIKMAPTDPJOD-JTQLQIEISA-N 346.430 1.059 0 40 EDAB Cn1c(N)c(C(=O)CSc2cccc(Cl)c2)c(=O)n(C)c1=O 69777039 QFYSAQZKLBJODO-UHFFFAOYSA-N 339.804 1.295 0 40 EDAB CN(Cc1ccco1)C(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 69771012 MNTGVPWBMBXYAL-UHFFFAOYSA-N 343.261 1.584 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](c2cccc(F)c2)C1 69775964 IBOCVRNJFAQMGI-GXTWGEPZSA-N 326.393 1.512 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@H](Cn3nc(C)nc3C)C2)n(C)n1 69816856 FRQKITMFCZDXLI-HNNXBMFYSA-N 345.451 1.288 0 40 EDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 8704223 DNBMGXLUPGXBEK-LBPRGKRZSA-N 337.383 1.902 0 40 EDAB CCC(=O)c1cc(F)ccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 8752302 PEKXNSHWWFMWHB-NSHDSACASA-N 343.376 1.101 0 40 EDAB NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 19078909 VPEHQBXKGPMAKC-LBPRGKRZSA-N 348.409 1.196 0 40 EDAB COC(=O)[C@@H]1CN([C@@H]2CCN(CCc3ccccc3)C2)C[C@@H](C)O1 97048664 NTABEDSGULEJOL-NXHRZFHOSA-N 332.444 1.566 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3nnc(C(C)(C)C)o3)CCO2)n1 72267573 MSPCYDOECBEUIM-ZDUSSCGKSA-N 334.424 1.476 0 40 EDAB Cc1ccc(NC(=O)N2CCN(C(=O)c3cccc[n+]3[O-])CC2)cc1 72298122 HJIGFQQQRBKPDI-UHFFFAOYSA-N 340.383 1.618 0 40 EDAB Cc1cccc(OCCNC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)c1 95949179 JJKARPUPIITJGO-UHFFFAOYSA-N 340.383 1.687 0 40 EDAB CC(C)(C)c1n[nH]cc1CNC[C@H]([C@H]1CCOC1)N1CCOCC1 97159496 WHHQTGURASUZFH-GOEBONIOSA-N 336.480 1.534 0 40 EDAB COc1ccccc1-c1noc([C@@H](C)NC(=O)[C@@H](C)NC(C)=O)n1 72303533 ZLGKQCYEAUZSQF-NXEZZACHSA-N 332.360 1.447 0 40 EDAB Cc1nc(C2(NC(=O)[C@H](C)Oc3cccc(CO)c3)CCC2)no1 89718136 YHJULTJGLBKXLO-NSHDSACASA-N 331.372 1.833 0 40 EDAB COc1ccccc1CNC(=O)N1CCC[C@@H](c2nncn2C)C1 89761900 BNSZSSJWINFHRO-CQSZACIVSA-N 329.404 1.913 0 40 EDAB COc1cc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc2c1OCCO2 85878818 INEIYIIKOVYVSC-LLVKDONJSA-N 343.335 1.904 0 40 EDAB biogenic CC(C)N(C[C@H]1C[C@@H]1C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 89922066 TYKMPZUMPOQDHO-QWHCGFSZSA-N 337.445 1.377 0 40 EDAB CNC(=O)Cc1ccc(N[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1 76084232 ALUXUUNEPVKRNR-INIZCTEOSA-N 341.415 1.316 0 40 EDAB CN1CCN(C(=O)CNC(=O)c2cccs2)Cc2ccccc21 76021043 UHZCBUINMZEOFW-UHFFFAOYSA-N 329.425 1.957 0 40 EDAB CC[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1nc2ccccc2[nH]1 67358951 HUJYCDCRQXDWFM-MNOVXSKESA-N 336.417 1.500 0 40 EDAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2C)cc1 32508583 HCOYKRZHNYSYTE-CHWSQXEVSA-N 326.443 1.395 0 40 EDAB Cc1nc2ccc(C(=O)N3CCC4(CC3)CNC(=O)C4)cc2n1C 527248766 FMNZPIXOISARFC-UHFFFAOYSA-N 326.400 1.624 0 40 EDAB Cc1ccc(CN2CCN(C(=O)c3c(C(=O)O)cnn3C)CC2)cc1 36615643 OLVSMMIVQNLJKF-UHFFFAOYSA-N 342.399 1.385 0 40 EDAB CCN1CCN(C(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)CC1 36635259 GTAPPDVGJMZUPO-CQSZACIVSA-N 347.440 1.809 0 40 EDAB O[C@@H](CSc1nnc2c(n1)[nH]c1ccccc12)CN1CCOCC1 33941041 YFRZTWDZCAIZNU-LLVKDONJSA-N 345.428 1.291 0 40 EDAB O=S(=O)(c1ccccc1)[C@H]1[C@@H](c2cccc(F)c2)C1(CO)CO 218454129 UDLBLHILERCRLJ-CVEARBPZSA-N 336.384 1.736 0 40 EDAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)C2CC2)cc1 61976594 BXJBLCFKBUCPRC-MRXNPFEDSA-N 340.445 1.720 0 40 EDAB CCn1nnc(-c2ccc(O)c(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)c2)n1 71285293 LOCAWIURYRSOES-RYUDHWBXSA-N 345.359 1.361 0 40 EDAB COc1ccc(-c2c3c(=O)n(CCO)ccc3nc3ncnn23)cc1 32096227 HZQKNQIUJIDPAW-UHFFFAOYSA-N 337.339 1.107 0 40 EDAB COc1cc(C)ccc1OCCC(=O)NCCN1CCN(C)CC1 79122013 CCQPYGQOZRWDMR-UHFFFAOYSA-N 335.448 1.136 0 40 EDAB COc1ccccc1CCNC(=O)C1CN(C(=O)c2cc(C)on2)C1 70810815 OIIMYQOJZAWLRM-UHFFFAOYSA-N 343.383 1.423 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CC2(COC(C)(C)OC2)C1 70971829 UKCCIHOPJFLFFG-IUODEOHRSA-N 333.384 1.826 0 40 EDAB CC(C)Cc1nnc(NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)s1 127799575 YIXWCONJDWIHGO-LBPRGKRZSA-N 332.451 1.435 0 40 EDAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(CC(N)=O)C3)n2)n1 72383057 XGKIGZXGDALJNY-AWEZNQCLSA-N 340.431 1.897 0 40 EDAB CN(C)CCCN(CCCN(C)C)C(=O)CSc1ccncc1 79321150 YHYAEUHLAOBBGW-UHFFFAOYSA-N 338.521 1.906 0 40 EDAB COc1cccc2c(=O)c(C(=O)N3CCC4(CC3)OCCO4)c[nH]c12 44902513 RAGPKGMDWRKZBX-UHFFFAOYSA-N 344.367 1.516 0 40 EDAB Cc1cc(N2CCN(c3cc(N4CCSCC4)ncn3)CC2)n[nH]1 225489540 DZUWKPLHZLNITJ-UHFFFAOYSA-N 345.476 1.388 0 40 EDAB CN(C)C(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1 195466539 WXSWTJBWYCXGTA-RBSFLKMASA-N 338.429 1.234 0 40 EDAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1 222247901 JMJGZKPJQVBIJM-WZTLGTBRSA-N 327.336 1.696 0 40 EDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccco2)s1 225359106 IUSGCATVXRIBCE-UHFFFAOYSA-N 344.418 1.594 0 40 EDAB Cc1cc(C(=O)CN2CCN(C(=O)c3cccc(O)c3)CC2)c(C)[nH]1 81011359 OMYNWUGBCCPOIN-UHFFFAOYSA-N 341.411 1.978 0 40 EDAB NC(=O)c1nccnc1N1CCCN(C(=O)Oc2ccccc2)CC1 585092999 XVNMCYDASUYYBJ-UHFFFAOYSA-N 341.371 1.287 0 40 EDAB CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 195535563 UXPIQHMNZVXIBY-ZYZMLOSQSA-N 341.521 1.850 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2cc(C)nn2C)cc1 97098691 IPNKVAOGQJARRM-CYBMUJFWSA-N 335.429 1.629 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)o1 96049168 CCMOMTPJSRQNOM-GOSISDBHSA-N 342.399 1.890 0 40 EDAB Cc1nc(CN2C[C@@]3(CCN(C(=O)[C@H]4CCCO4)C3)CC2=O)cs1 96239383 BSPGJFAEKAMALA-PBHICJAKSA-N 349.456 1.582 0 40 EDAB C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@H]1C)c1ccc(F)c(F)c1 96417609 NBXDDTYEPAHAKB-NXEZZACHSA-N 332.372 1.854 0 40 EDAB O=C(CN1CCO[C@H]2CCC[C@H]21)N1CCN(Cc2ccsc2)CC1 230082145 CBLYKZZHJXMRLP-SJORKVTESA-N 349.500 1.646 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccoc1)C2 96065007 UYRBHPBOXPFLGY-SJLPKXTDSA-N 336.432 1.869 0 40 EDAB Cn1cccc1C(=O)N1CCc2c(CN3CCCC3)nn(C)c2C1 96255903 OCFLPMKVGQGPSN-UHFFFAOYSA-N 327.432 1.553 0 40 EDAB COc1cc(N2C[C@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)ncn1 96038914 XWAPZGPCQXMUDX-MGPQQGTHSA-N 332.404 1.091 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(C[C@H](Nc3ncccc3F)CO2)C1 96219232 MGGITQHXIFGGHE-FZMZJTMJSA-N 329.397 1.216 0 40 EDAB CN(C)CCOCc1nnn2c1CN(C(=O)c1ccsc1)CCC2 96084343 FDSRVQYYEOYAKK-UHFFFAOYSA-N 349.460 1.464 0 40 EDAB CCOc1ccccc1CN(CCN1CCCOCC1)C[C@@H](C)O 585085343 ARGDXZYAFXCEST-QGZVFWFLSA-N 336.476 1.990 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)NC(=O)C[C@@H]2c1ccncc1 96199902 VRYSHNFDLJBEGJ-OAHLLOKOSA-N 325.416 1.453 0 40 EDAB CN(C)CCOCc1nn(C)c2c1CCN(C(=O)c1ccsc1)C2 96084998 PJMTUFPLECQEJB-UHFFFAOYSA-N 348.472 1.758 0 40 EDAB O=C(NC1CC1)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1 96188098 ZQNUIKLIDGWEQC-OAHLLOKOSA-N 341.415 1.799 0 40 EDAB C[C@H](NCc1ccc(S(N)(=O)=O)o1)[C@@H](c1ccccc1)N(C)C 585117711 UHYJRTBWMUKVKF-LRDDRELGSA-N 337.445 1.708 0 40 EDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)CCn2ccnc2)n1 257206911 BFLLQESWPSNLEY-INIZCTEOSA-N 342.447 1.797 0 40 EDAB CN(C)c1nc([C@H]2CCN(C(=O)c3cccnc3)C2)cn2nccc12 257239584 HPZTTXOFPAHTKW-AWEZNQCLSA-N 336.399 1.820 0 40 EDAB O=C(CCCn1cccn1)N1CCOC[C@@H](Cc2ccncn2)C1 257292557 QMCBIWNOOLVJJY-HNNXBMFYSA-N 329.404 1.171 0 40 EDAB CN1CCN(C[C@@]2(O)CCN(C(=O)c3ccccc3Cl)C2)CC1 257210449 BUQVDSLWPVDPCH-KRWDZBQOSA-N 337.851 1.164 0 40 EDAB CC(=O)N1CC[C@@H](Cc2nccnc2C(=O)N2CCC(C)CC2)C1 257322968 WIGXPCJERGDSMF-HNNXBMFYSA-N 330.432 1.760 0 40 EDAB CC(C)Cc1cc(C(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)n(C)n1 257292931 QNNCCGWEPJFVND-BFYDXBDKSA-N 334.464 1.336 0 40 EDAB CC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)N3C)c(S(N)(=O)=O)c1 252483175 DWOKOFMMCKRKAZ-KGLIPLIRSA-N 337.445 1.210 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)c3cncnc3O)CCN2C)cc1 257201943 AJSLRBAYKJHIEW-HNNXBMFYSA-N 328.372 1.320 0 40 EDAB CCc1nccn1CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(C)=O 257213795 CJCBDEWGTZOIAL-CYJAXWMASA-N 344.459 1.836 0 40 EDAB O=S(=O)(c1cccc(Cl)c1)N1CCN(C[C@@H](O)C2CC2)CC1 85467095 PBZNGHRYXPRSQI-OAHLLOKOSA-N 344.864 1.417 0 40 EDAB Cc1n[nH]cc1CNC(=O)NC1CCN(C(=O)c2ccco2)CC1 612304024 SJEYYDWYHMIQBX-UHFFFAOYSA-N 331.376 1.415 0 40 EDAB Cc1ccc2c(C(=O)N3C[C@@H]4CCC[C@@]4(C(N)=O)C3)cnn2c1C 1615041569 SHADHCPARCYDNR-SCLBCKFNSA-N 326.400 1.679 0 40 EDAB Cc1csc(CN(C[C@H]2CCCO2)C(=O)c2cc3n(n2)CCO3)n1 1615539294 WWSBVOOBWHJKIA-GFCCVEGCSA-N 348.428 1.862 0 40 EDAB CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CCc3ncnn3C2)cc1 1615614114 MJNZUTHMYUKVBI-ZDUSSCGKSA-N 327.388 1.617 0 40 EDAB COCc1nc(CN2C[C@@H](N(C)C)C3(CCOCC3)C2)cs1 1615614873 JPESLUISCFZSQI-CQSZACIVSA-N 325.478 1.832 0 40 EDAB CCN(CC(=O)Nc1cccc(OC)c1)C[C@H](C)CN1CCOCC1 1616036375 KQWKVPYBDZZQRY-INIZCTEOSA-N 349.475 1.924 0 40 EDAB Cc1ccc(CCn2nnnc2N2CCC(C3(C)OCCO3)CC2)o1 1616032447 OSASUBJVDQNPFP-UHFFFAOYSA-N 347.419 1.797 0 40 EDAB C[C@H](NS(=O)(=O)CCn1cnnn1)c1cccc(C(F)(F)F)c1 1616038956 SHZZFYQYBPNVBN-VIFPVBQESA-N 349.338 1.373 0 40 EDAB Cn1cnc(NC(=O)N[C@@H](c2ccc(F)c(F)c2)c2nccn2C)n1 1625274493 ZGKNJGAAZZWEGN-LBPRGKRZSA-N 347.329 1.738 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(NC(C)=O)cc2)C1 25380879 DLYWXKKOXCUFBB-HNNXBMFYSA-N 332.400 1.989 0 40 EDAB CCn1cc(-c2noc(CNC(=O)c3cc(C(C)(C)C)n[nH]3)n2)cn1 390831270 QVOLXOUBNZDKQD-UHFFFAOYSA-N 343.391 1.904 0 40 EDAB COc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@H]1CO 585098053 SRXBJFLKEMSKOK-AWEZNQCLSA-N 331.372 1.064 0 40 EDAB COc1ccccc1-c1cnc2n1CCN(C(=O)[C@@H]1CCOC1)CC2 585111535 UTVXEAPOUJNHSJ-CQSZACIVSA-N 341.411 1.980 0 40 EDAB COC[C@@]1(CC(=O)N(C)C)CN(Cc2cccc3[nH]ccc23)CCO1 585276171 DFZNRDCBDXYXGS-LJQANCHMSA-N 345.443 1.864 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCCCNC1=O 67162587 KVPFMTUHEDJTBZ-STQMWFEESA-N 339.436 1.561 0 40 EDAB CN(CC(=O)Nc1cnn(C[C@H]2CCCO2)c1)C(=O)c1cccs1 56954732 QEQLHPISUDDLMQ-CYBMUJFWSA-N 348.428 1.834 0 40 EDAB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 57262184 XZZGKFOWVJDVRJ-JTQLQIEISA-N 333.779 1.949 0 40 EDAB CCc1cc(NC(=O)NC2CCN(C[C@H]3CCOC3)CC2)n(C)n1 77494177 ZFIUNTMJHXRCKY-CYBMUJFWSA-N 335.452 1.605 0 40 EDAB O=C1O[C@@]2(COCCN(C3COC3)C2)CN1c1ccc(Cl)cc1 1615157059 ZDNYNNWSJIZADH-MRXNPFEDSA-N 338.791 1.766 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@]23CCOC3)s1 1615616370 ZPYZFRGNNHABIQ-AWEZNQCLSA-N 329.443 1.937 0 40 EDAB Cc1nc2cc([C@@H]3CCCN3C(=O)c3cnccn3)nn2c(O)c1C 12336949 ZEMXPSAFXDVSFY-AWEZNQCLSA-N 338.371 1.819 0 40 EDAB CCN(CC)S(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585770 GFFPVEACXOAFQA-UHFFFAOYSA-N 342.442 1.756 0 40 EDAB COc1ccc2cc(CNCCCN3CCCC3=O)c(=O)[nH]c2c1 13999240 PJQUAYONCRZFQJ-UHFFFAOYSA-N 329.400 1.639 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)NCCOc1ccccc1 16445044 SNQWMNJGFXUISM-UHFFFAOYSA-N 337.379 1.982 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)N1CCC[C@@H](O)C1 19576136 HGPHJNJWOIQMGE-AVUWZVCYSA-N 328.368 1.057 0 40 EDAB CN1CCN(C(=O)Cc2ccccc2)C[C@@H](Cc2ccccn2)C1=O 19695553 QFCVJRVDKWKROH-QGZVFWFLSA-N 337.423 1.784 0 40 EDAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2C(=O)c1cn2cccnc2n1 19712337 RHPCDQNLMGGDQI-CVEARBPZSA-N 341.415 1.735 0 40 EDAB COC(=O)c1ccc(CC[C@@H]2C(=O)Nc3nc(N)nc(O)c32)cc1 504642212 GCIHXHRROKFHIV-JTQLQIEISA-N 328.328 1.220 0 40 EDAB in-vitro CN(C)S(=O)(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225736100 JHVPEBUCVIUUIT-JTQLQIEISA-N 339.339 1.360 0 40 EDAB O=C(O)[C@H](NS(=O)(=O)c1csc2ccccc12)[C@@H]1CCOC1 556774037 XNAKWHWAUQAZNK-NOZJJQNGSA-N 341.410 1.669 0 40 EDAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(C)CCC2 19752520 YQHJALBJYYDFTI-HNNXBMFYSA-N 345.447 1.357 0 40 EDAB CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)c1 575012159 OXDICRSQYRLVJL-LBPRGKRZSA-N 347.820 1.938 0 40 EDAB Cc1csc(C(=O)NC2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 575614974 AUSIPDGFNQASLQ-ZDUSSCGKSA-N 342.486 1.438 0 40 EDAB COc1ccnc(N2CCN(c3nc(O)cc(C(F)F)n3)CC2)n1 1888863886 WDXPAPUPNOPULO-UHFFFAOYSA-N 338.318 1.245 0 40 EDAB COc1ccccc1S(=O)(=O)N[C@@H]1CCN(C2CCOCC2)C1 1888879237 ACOQVGLVCHRIEY-CYBMUJFWSA-N 340.445 1.227 0 40 EDAB c1c[nH]c(=Nc2nccc(C3CCN(Cc4ncc[nH]4)CC3)n2)cn1 2037635268 NUUSUTGFUNWDRE-UHFFFAOYSA-N 336.403 1.535 0 40 EDAB O=C(NCC1CC1)[C@H]1C[C@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]1O2 1565554872 IIIBXSJSPXFGLB-RWMBFGLXSA-N 328.359 1.174 0 40 EDAB CC1CC(C(=O)N2CCC3(CC2)CCN(c2ccn(C)n2)C3=O)C1 1565544244 GUUAGKADEJDDPH-UHFFFAOYSA-N 330.432 1.812 0 40 EDAB CCOC(=O)c1c(S[C@H](CC)C(=O)OCC)nc(=O)[nH]c1C 4317564 RSDIHKJTMYDWGN-SECBINFHSA-N 328.390 1.689 0 40 EDAB COCCCn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C 12428156 HWFFLJBBNIGMSF-UHFFFAOYSA-N 327.384 1.742 0 40 EDAB Cc1ncsc1CN1CCC[C@](C(=O)N(C)C)(n2cccn2)C1 2055772498 NSYXHYVHXQROBU-INIZCTEOSA-N 333.461 1.728 0 40 EDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)C2CCCCC2)CC1 2055772716 TYAPNARXPYLLNT-UHFFFAOYSA-N 332.448 1.869 0 40 EDAB Cc1cc(C(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)no1 22906495 MSNVXITXIWRXFY-UHFFFAOYSA-N 348.340 1.689 0 40 EDAB Cc1cc(OC2CN(C(=O)[C@H]3COc4ccccc4O3)C2)cc(=O)o1 206957767 HGAPCKOJERQIAE-MRXNPFEDSA-N 343.335 1.378 0 40 EDAB COc1ccc2c(C)c(C(=O)NCCn3ncccc3=O)oc2c1 38679541 DLPDSXQWPAERAL-UHFFFAOYSA-N 327.340 1.737 0 40 EDAB Cc1cc2n(CCNC(=O)c3cnn(-c4ccccc4)n3)ccn2n1 225578379 JRDHTQWFCXUCND-UHFFFAOYSA-N 335.371 1.455 0 40 EDAB COc1ccc(OCc2noc(CNC(=O)Cn3cccn3)n2)cc1 44227398 CBJQFKNINRNHCR-UHFFFAOYSA-N 343.343 1.170 0 40 EDAB Cc1noc(C)c1CC(=O)NC[C@@](C)(O)c1ccc2c(c1)OCO2 206703820 BFNVMPUKBGJWMT-QGZVFWFLSA-N 332.356 1.587 0 40 EDAB CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 203708 ZRPJZVCYFPIXTC-OAFZBRQQSA-N 327.380 1.840 0 40 EDAB biogenic C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCCc2ccccc2)CC1 40107455 HLWSAWXWBXGRQP-INIZCTEOSA-N 343.471 1.821 0 40 EDAB CC(C)C(=O)NCCNC(=O)NCc1cccnc1OC1CCCC1 31107041 UKJNZDLMUDIZGM-UHFFFAOYSA-N 348.447 1.974 0 40 EDAB COc1ccccc1N(CCC(N)=O)C(=O)c1cccnc1OC 40496321 BFHAPLLBCCHIKQ-UHFFFAOYSA-N 329.356 1.621 0 40 EDAB CS(=O)(=O)c1ccc(NCc2cccnc2)c(S(C)(=O)=O)c1 40477498 UQAUKEFUNHFUFL-UHFFFAOYSA-N 340.426 1.501 0 40 EDAB Cc1cc(=O)n2nc(NCCCN3C[C@H](C)O[C@@H](C)C3)sc2n1 40489718 PSTANOKLYCXFHH-RYUDHWBXSA-N 337.449 1.371 0 40 EDAB O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 40527186 NCOHJKJSLUCIDL-JTQLQIEISA-N 336.335 1.652 0 40 EDAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(=O)[nH]n2)c1 40541771 ZYRQNUVELFQGND-LLVKDONJSA-N 328.372 1.685 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(F)cc(Br)c1 40529127 ISZPBQDVUPVWGK-SNVBAGLBSA-N 336.182 1.505 0 40 EDAB O=C(NCCNC(=O)c1cccs1)c1nc2ccccc2c(=O)[nH]1 20744910 SUJIKTCTKVOBRJ-UHFFFAOYSA-N 342.380 1.144 0 40 EDAB CN(C)[C@H](CNc1c(NCc2ccco2)c(=O)c1=O)c1ccco1 101691781 FPKPXRGAJALQCA-GFCCVEGCSA-N 329.356 1.796 0 40 EDAB CCOC(=O)[C@H]1CCCCN1Cc1cc(=O)n2nc(C)sc2n1 51968356 DCHUALKCWQBPSX-GFCCVEGCSA-N 336.417 1.377 0 40 EDAB O=C(c1ccccc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1 32900100 CRKKOGRCBJHOKD-UHFFFAOYSA-N 338.429 1.158 0 40 EDAB O=C(NCc1ccccc1Cn1cncn1)[C@@H]1Cc2ccccc2O1 33106050 AGMFMIVPZIQMEL-SFHVURJKSA-N 334.379 1.946 0 40 EDAB COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)NCC(F)(F)F)c1 8987922 CKKVLVZAYFXSDG-SNVBAGLBSA-N 347.337 1.633 0 40 EDAB COC(=O)c1cc(Br)c(=O)n(CCN2CCCCC2)c1 536063 BYMBCQALTQDCNV-UHFFFAOYSA-N 343.221 1.883 0 40 EDAB CCCc1noc(CCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)n1 78789539 GZBYDQQWTGMZGC-ZIAGYGMSSA-N 336.436 1.012 0 40 EDAB CN(C)c1cc(CN2CCCc3ccc(S(N)(=O)=O)cc32)ccn1 97109514 SZDSGZYSBXDAKZ-UHFFFAOYSA-N 346.456 1.748 0 40 EDAB CN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 798538 YCAXKYHJGQQQEV-UHFFFAOYSA-N 348.380 1.675 0 40 EDAB CCCn1nnnc1CN1CCN(c2ccc(C(C)=O)cc2)CC1 24796086 NMNWJHPCCBZMJB-UHFFFAOYSA-N 328.420 1.608 0 40 EDAB COc1cc([C@@H]2CC(=O)Nc3nc(N)sc32)ccc1OCC(N)=O 12419238 FEPFWEAVGHTJKZ-QMMMGPOBSA-N 348.384 1.072 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 104335361 ZONDLSDOKNUGJI-YOEHRIQHSA-N 336.457 1.288 0 40 EDAB COc1ccc(CCNC(=O)COC(=O)c2ccco2)cc1OC 4356404 NHRYDIMQOASZDV-UHFFFAOYSA-N 333.340 1.813 0 40 EDAB CC(C)(CNS(=O)(=O)c1ccc(F)c(F)c1)N1CCOCC1 23641667 IGTPXCQNPOITDR-UHFFFAOYSA-N 334.388 1.354 0 40 EDAB COc1cc(CNn2nnnc2N)ccc1OCc1cccc(C)c1 7601182 RKUPLPSAIIAIRW-UHFFFAOYSA-N 340.387 1.895 0 40 EDAB COc1ccc(COC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1 24094658 LADUSQKXNAKUGJ-AWEZNQCLSA-N 348.399 1.437 0 40 EDAB C[C@@H](C(=O)Nc1ccc(NC(=O)c2cnccn2)cc1)n1cncn1 24704742 WTOPCKFLDBHODI-NSHDSACASA-N 337.343 1.520 0 40 EDAB Cc1csc(=O)n1CCC(=O)Nc1ccc(-n2ccnc2)nc1 24904784 LTNSACAYCRYTDE-UHFFFAOYSA-N 329.385 1.828 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@H](C)C(=O)NCCC3=CCCCC3)CCO2)n1 107139700 FJUGDXLACMWMJA-CJNGLKHVSA-N 347.463 1.882 0 40 EDAB COc1ccc(-n2ccc(CNC(=O)/C=C/c3cnn(C)c3)n2)cc1 56289404 NHTPUPUMGBNHSP-FPYGCLRLSA-N 337.383 1.944 0 40 EDAB COC(=O)c1ccc(NC(=O)NCc2nnc3ccccn23)cc1 48006338 PITDZKAFEDCEQS-UHFFFAOYSA-N 325.328 1.838 0 40 EDAB Cc1ccc(CNC(=O)CN2CCN(c3nccs3)CC2)cc1 35268990 GWQPIUVGYOCSJV-UHFFFAOYSA-N 330.457 1.890 0 40 EDAB Cc1ccc2c(c1)N(C(=O)CN1C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)CC2 108456796 YFOHHIMZZNQFQL-LBTBCDHLSA-N 336.391 1.691 0 40 EDAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2N3C(=O)Cc2cccnc2)Nc2ccccc21 100119584 UJEGTNAPYZYEBO-VHFSOBRXSA-N 348.406 1.939 0 40 EDAB Cc1cccc(OCCN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)c1 27374291 XOTZLOMFSNRIOE-ZDUSSCGKSA-N 330.436 1.900 0 40 EDAB Cn1cncc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 108530925 NUFJAVPSRDKKEY-SJLPKXTDSA-N 332.448 1.271 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)nc2)C1 48134024 WDDPUNCRRUNXME-LBPRGKRZSA-N 344.375 1.469 0 40 EDAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3ncnn32)c(OC)c1OC 101347877 XFXYQYSTSJDSDT-JTQLQIEISA-N 332.316 1.287 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccnc(N3CCCCC3)c2)CC1 48230509 DVDGEKLYQSITCG-UHFFFAOYSA-N 345.447 1.479 0 40 EDAB COCCn1nc(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2)ccc1=O 44940853 YHYBIQFKZMXDRG-LBPRGKRZSA-N 349.818 1.904 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCOC2)C2CC2)c1 44940949 ZSTSWXANJYKFAW-GFCCVEGCSA-N 338.429 1.236 0 40 EDAB Cc1cnc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cn1 58370749 PDHPWDMHZOQYHJ-MRXNPFEDSA-N 338.411 1.749 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)NC[C@@H]3CCN(C(C)C)C3)cnc12 58393296 ZRCGYGNHPVUJHW-HNNXBMFYSA-N 342.443 1.551 0 40 EDAB O=C(CN1CSCC1=O)NCc1cccc(NC(=O)C2CC2)c1 10761469 POMSAIJGSLIULU-UHFFFAOYSA-N 333.413 1.184 0 40 EDAB COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1 36585120 ITEPKBANCYTOQY-MEBBXXQBSA-N 346.362 1.767 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccc(C)cc3Cl)N2N1 10153012 YZIDJIHZMXUIBC-GFCCVEGCSA-N 347.806 1.903 0 40 EDAB CCc1nnsc1C(=O)NC[C@H](CC(C)C)N1CCOCC1 36709660 CWCHKDMNDKOEPN-LBPRGKRZSA-N 326.466 1.577 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)CN(C)c1ncnc2[nH]cnc12 45978099 KWGXWYDJLBZMKG-NSHDSACASA-N 340.387 1.675 0 40 EDAB CNC(=O)NC(=O)CN1CCC(CCc2ccc(OC)cc2)CC1 12870397 SFQDKHVUINNECJ-UHFFFAOYSA-N 333.432 1.795 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](CCO)C(C)(C)C)c1 95432881 CBWRWVCSWSMGDS-ZDUSSCGKSA-N 329.418 1.549 0 40 EDAB C[C@H](CNC(=O)c1csc(Br)c1)N1CCOCC1 29963770 XGHDDPNTINREDI-SECBINFHSA-N 333.251 1.961 0 40 EDAB NC(=O)c1ccc(CN2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1 46725530 ZHSFKPHMQNMLBR-HNNXBMFYSA-N 327.428 1.786 0 40 EDAB CCc1nnc2ccc(NC[C@@H]3CCN(CC(F)(F)F)C3)nn12 95410646 SLDMYXBODWWWRA-JTQLQIEISA-N 328.342 1.983 0 40 EDAB O=C(c1cccc(CN2CCS(=O)(=O)CC2)c1)N1CCCCC1 64334206 MLTSUBGKQMCFEC-UHFFFAOYSA-N 336.457 1.543 0 40 EDAB O=C(CN1CCOc2ccc(Cl)cc21)/N=c1\[nH]nc2n1CCCC2 96003309 FHRTVYSQGIRCSU-UHFFFAOYSA-N 347.806 1.527 0 40 EDAB O=C(CC(=O)NCC(F)(F)F)NCc1nc2ccccc2s1 96000702 ONSSQUVRGXKBEA-UHFFFAOYSA-N 331.319 1.981 0 40 EDAB CCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 4457662 JAAMADRFZMWEDR-UHFFFAOYSA-N 344.396 1.418 0 40 EDAB C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2cccs2)C[C@@H](C)O1 14098568 QILMDBSVEBRQMF-VXGBXAGGSA-N 332.491 1.914 0 40 EDAB CN(Cc1ccncc1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 96005141 PGTVSENFISLPNX-UHFFFAOYSA-N 337.445 1.244 0 40 EDAB CCN1CC[C@H](NC(=O)N[C@@H](C)CO)[C@@H]1c1cc(F)c(F)c(F)c1 96008171 AGPGUPQYNOXKRE-FGEZKYSXSA-N 345.365 1.919 0 40 EDAB C[C@H](NC(=O)CCC(=O)N1CCOCC1(C)C)C(=O)c1ccccc1 65536568 FBHKSDUKZXOYOS-AWEZNQCLSA-N 346.427 1.792 0 40 EDAB CCn1nnc2cc(C(=O)N[C@@H]3CCc4nnc(C)n4C3)ccc21 65588863 QYYLXNFSOSIGRS-GFCCVEGCSA-N 325.376 1.096 0 40 EDAB C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCOCC1 14134992 BGMIMVARZTXPGZ-QLFDAEIZSA-N 335.448 1.502 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCN(c2ccccn2)CC1 14248111 SHLLJYKVQNYYOY-UHFFFAOYSA-N 349.394 1.140 0 40 EDAB C[C@H]1CCO[C@H]1C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 95446087 NBLMWWYOVLGESD-SUMWQHHRSA-N 328.416 1.632 0 40 EDAB O=C(Nc1ccsc1C(=O)NC[C@H]1CCCO1)c1cnccn1 67335670 YRHQIHXLBZZJQD-SNVBAGLBSA-N 332.385 1.699 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 16021930 SYGXLYNHYVYFFQ-AGRPXIAWSA-N 341.411 1.535 0 40 EDAB CS(=O)(=O)NCCCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 96407474 QINRPFRXZCDCLH-UWVGGRQHSA-N 332.372 1.124 0 40 EDAB COc1ccccc1CNC(=O)[C@H](C)Sc1n[nH]c(=O)n1C1CC1 7776248 CNKLXTZSSZENHF-JTQLQIEISA-N 348.428 1.712 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)c1ncc(S(N)(=O)=O)s1 68662058 BRCADRLXJITORH-UHFFFAOYSA-N 341.414 1.546 0 40 EDAB COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCC[C@H](C)CC1 68824554 BQADKJUESNVYCK-NSHDSACASA-N 326.418 1.747 0 40 EDAB NC(=O)CN1CCC(NC(=O)CCCOc2cccc(F)c2)CC1 71819835 MAMMQEUAPVLSNU-UHFFFAOYSA-N 337.395 1.051 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](CN2CCC(C)CC2)C1 70040472 JYMSGILCMNXHDX-JKSUJKDBSA-N 338.496 1.665 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 69350421 MPECTSGFPHFBGX-SNVBAGLBSA-N 332.451 1.133 0 40 EDAB Cc1cc(C(=O)N2CCC(CS(N)(=O)=O)CC2)c(C)n1C(C)C 71846958 BCAQCNUYYNOFHM-UHFFFAOYSA-N 341.477 1.827 0 40 EDAB COc1ccccc1CC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 8394085 MQFAUINIFBZQNH-GFCCVEGCSA-N 348.424 1.763 0 40 EDAB COC(=O)CN(CCN1CCOCC1)C(=O)c1cc(C)cc(C)c1 71893446 QSUOPNAZICVXNB-UHFFFAOYSA-N 334.416 1.251 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@@H]2Cn2cccn2)c1 71866244 PQVZTEHMWORARS-MRXNPFEDSA-N 347.440 1.733 0 40 EDAB C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CC(n2cccn2)C1 71879050 OKVHMVPWVWOBEF-XJKSGUPXSA-N 326.400 1.768 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N(C)[C@H]1CCCc3ccccc31)C2 69460216 YILOEYZJLVOINH-KRWDZBQOSA-N 339.443 1.938 0 40 EDAB O=C(CNC(=O)NC1CC1)NCc1ccnc(OC2CCCCC2)c1 69433438 NVGWRRBKCJHUOB-UHFFFAOYSA-N 346.431 1.871 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2C(=O)[C@@H]3CCCCN3C2=O)c(C)c1 69461464 MOLVHSFMSRPFMZ-GJZGRUSLSA-N 332.400 1.860 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)N1CCC(c2ccccc2)=N1 69595955 ZCMLLTWMZAVPJL-MRXNPFEDSA-N 338.415 1.379 0 40 EDAB CS[C@H]1CCC[C@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 74065959 LXQHDPVZAXMYIH-CVEARBPZSA-N 348.516 1.994 0 40 EDAB O=S(=O)(CCCN1CCN(CCO)CC1)c1ccc(Cl)cc1 69656246 UWWPVDQJACOZNH-UHFFFAOYSA-N 346.880 1.114 0 40 EDAB O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN(CC2CC2)C1 69619402 AWPWMDNCLAJAIW-CQSZACIVSA-N 341.411 1.273 0 40 EDAB C[C@@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)C(=O)NC(N)=O 69659840 RXNCHVUHZSQWHF-KOLCDFICSA-N 325.340 1.379 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cn1 69655221 GZFKEQAREZEBRZ-CJNGLKHVSA-N 342.399 1.725 0 40 EDAB CN(C)CCCN(CCCN(C)C)C(=O)Cn1nnc2ccccc21 69652845 FQBTYYBNMBCSNP-UHFFFAOYSA-N 346.479 1.163 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)Cc3cn4ccsc4n3)CCO2)n1 83829939 YKKLDAJZXUHWSX-LLVKDONJSA-N 346.416 1.219 0 40 EDAB CC(C)CN(CCCNS(C)(=O)=O)C[C@@H](O)c1ccc(F)cc1 71912011 UOSRFCUTKRENLA-MRXNPFEDSA-N 346.468 1.756 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC(Nc2cccnn2)CC1)N1CCCC1 69873382 LZCSZMSEIMFCIW-KRWDZBQOSA-N 331.464 2.000 0 40 EDAB CCCCOCCCNC(=O)Nc1ccn(CC(=O)NCC)n1 71922263 LTVAAJYESDBLGR-UHFFFAOYSA-N 325.413 1.348 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2Cn2cc(C)cn2)o1 69951075 KZJVNMSSMBCQMU-AWEZNQCLSA-N 330.388 1.725 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2csc(=O)[nH]2)cc1N(C)C 95977434 BZVOVZVTWNBZNJ-UHFFFAOYSA-N 327.431 1.289 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@@H](C)C2CCC2)CC1 97049789 JLPAEAXFUKBKHT-NSHDSACASA-N 340.493 1.958 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CCO1 72277886 BHGWXOFILRLVJN-LBPRGKRZSA-N 341.433 1.013 0 40 EDAB C[C@H](CC(=O)N[C@H]1CCN(c2cnn(C)c2)C1)NC(=O)C1CCCC1 72287524 DRPQXIBXROSPQW-HIFRSBDPSA-N 347.463 1.200 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCc1ccoc1C 75122391 JEJNKNNAQVRBEV-UHFFFAOYSA-N 338.367 1.901 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C(N)=O)c(C)c1C 75103715 MHZAUSGUZPSELT-STQMWFEESA-N 340.445 1.634 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN1CCN([C@H](C)c2cccnc2)CC1 76040327 JKEPUNROKQIEDT-OAHLLOKOSA-N 342.447 1.739 0 40 EDAB Cc1c(C(F)(F)F)n[nH]c1C(=O)N1CCC[C@H](CC(N)=O)CC1 1550771573 OTKJMYFOAKDMHQ-VIFPVBQESA-N 332.326 1.855 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@]1(O)CCCc2occc21 1565522127 BOTZWTGSUZOINH-CQSZACIVSA-N 326.374 1.387 0 40 EDAB Cn1c(-c2ccccn2)nn(CCNC(=O)Nc2ccccc2)c1=O 38533042 OPVSLMDAHKREHC-UHFFFAOYSA-N 338.371 1.466 0 40 EDAB Cc1csc2ncnc(N3CCN([C@H]4CCNC(=O)CC4)CC3)c12 516957204 RMDJRTQOPLXMMV-CYBMUJFWSA-N 345.472 1.790 0 40 EDAB C[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)C1 38488280 BARXONUUMPNFDG-SWLSCSKDSA-N 329.400 1.776 0 40 EDAB biogenic CCOc1cc(C=C(C(=O)OC)C(=O)OC)ccc1OCC(=O)O 409049692 XTNBMVBTMUZRLZ-UHFFFAOYSA-N 338.312 1.278 0 40 EDAB NC(=O)CCc1cccc([C@H]2CCCN2C(=O)c2cnccn2)n1 72360488 MKOHRCVOYZUOCY-OAHLLOKOSA-N 325.372 1.267 0 40 EDAB Cc1c(-c2nnc3sc(-c4c(Cl)cnn4C)nn23)cnn1C 79479831 LYICDJCONXPBEH-UHFFFAOYSA-N 334.796 1.949 0 40 EDAB CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1Br 77832486 VAOJJMMTDOSEOG-CYBMUJFWSA-N 347.184 1.804 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(Cn2cccn2)cc1 79028708 LHWRDQFXXKMHTA-ZDUSSCGKSA-N 325.376 1.733 0 40 EDAB Cc1nc2ccccc2n(CC(=O)Nc2ccc(C(N)=O)cc2)c1=O 72406474 NCAQLXPXQPHYSN-UHFFFAOYSA-N 336.351 1.443 0 40 EDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 72242257 MFIQWWCBAKKFJW-NVXWUHKLSA-N 335.423 1.803 0 40 EDAB CCN(CC)CCNC(=O)c1cc(NC(=O)c2cccs2)n(C)n1 46088983 FMINEUMHECEEAS-UHFFFAOYSA-N 349.460 1.806 0 40 EDAB O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)NC[C@H]1CCCO1 75165382 AAJSMOKCHPTINN-OAHLLOKOSA-N 342.399 1.207 0 40 EDAB COCc1nn2c(=O)cc(COC(=O)c3cccc(F)c3)nc2s1 41077302 KAVXGNPKQAZIHR-UHFFFAOYSA-N 349.343 1.794 0 40 EDAB OC1(c2csc(CN3CCOCC3)n2)CCN(CC2CC2)CC1 225468266 JITOTFIIOSQNJS-UHFFFAOYSA-N 337.489 1.669 0 40 EDAB biogenic,in-vitro O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1cccnc1 85878939 GEPGMFRPMMQLAD-UHFFFAOYSA-N 336.351 1.755 0 40 EDAB biogenic CCCCS(=O)(=O)N1CCN(CC(=O)c2cccs2)CC1 44214100 VGJMEMBBFPUNPC-UHFFFAOYSA-N 330.475 1.678 0 40 EDAB O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)N3CCOCC3)cc21 49546514 SAMVYCLOJOOMTL-LLVKDONJSA-N 342.351 1.353 0 40 EDAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C)c1 223671906 AGJDHVFFTDRHPS-JKSUJKDBSA-N 344.440 1.956 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCN(C[C@@H]2CCC=CO2)CC1 193622408 NGEUUMAWCNWSEK-KRWDZBQOSA-N 336.457 1.827 0 40 EDAB Cc1cc(C)cc([C@H](NS(=O)(=O)[C@H]2CCO[C@H]2C)C(=O)O)c1 575293599 HPXYLKXZWWRDQU-UBHSHLNASA-N 327.402 1.526 0 40 EDAB COc1cccc(CC(=O)N2CC[C@H](Oc3nccnc3OC)C2)c1 225808066 XFCYUXUWLGCWOG-HNNXBMFYSA-N 343.383 1.716 0 40 EDAB CN1CC[C@@H](NC(=O)C[C@](O)(c2ccccc2)C(F)(F)F)C1=O 195566773 BBIPGCNGBJKSIG-RISCZKNCSA-N 330.306 1.174 0 40 EDAB O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@@H]12 96038613 ZXJWUHZDCHWDHY-ZTFGCOKTSA-N 341.411 1.685 0 40 EDAB c1cnc(N2CCC3(CC2)COCCN(Cc2cccnc2)C3)nc1 96239921 VZFMKGWAYWOOCR-UHFFFAOYSA-N 339.443 1.991 0 40 EDAB Cc1cccc(CO[C@@H]2COC3(CCN(C(=O)CN(C)C)CC3)C2)n1 96207995 LTWSUGMYYREBKV-KRWDZBQOSA-N 347.459 1.618 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 96057984 LUXMZGBDSCOGLT-GVDBMIGSSA-N 332.400 1.645 0 40 EDAB CC[C@@H]1CN(C)CCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 585085989 OGXLROLWTGXSKI-MRXNPFEDSA-N 329.444 1.909 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccco2)C1 96038943 GFEQQQPUINIJIZ-KBAYOESNSA-N 341.411 1.970 0 40 EDAB CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Cn2cncn2)CC1 96425762 IUFDLNQJGCXEIK-MRXNPFEDSA-N 349.385 1.852 0 40 EDAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1-c1ccccc1 97635421 GQBJDGHXOHBLOP-UHFFFAOYSA-N 345.472 1.831 0 40 EDAB Cn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)c1cscn1)C2 96198587 LTUVCYGRCHLQDQ-LLVKDONJSA-N 333.417 1.438 0 40 EDAB O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCC[C@H]1c1cccnc1 332826514 WUJNDRLQBXYTIT-ZFWWWQNUSA-N 337.445 1.753 0 40 EDAB O=C(CCn1ccc2ccccc21)N1CCC[C@@](O)(c2cnn[nH]2)C1 583618952 MAHDFKYVZUTBTR-SFHVURJKSA-N 339.399 1.660 0 40 EDAB Cc1noc([C@@H](C)NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1 96420511 ZYZINEJXKSDPBK-DOMZBBRYSA-N 330.388 1.456 0 40 EDAB Cc1noc(C)c1CN1CCn2cc(CN3CCOCC3)nc2C1 96067976 AKJRWVKBTHDCAB-UHFFFAOYSA-N 331.420 1.336 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](Nc2ccccn2)C1 97953510 DHBXXKFCMCGFJG-GUTXKFCHSA-N 325.434 1.323 0 40 EDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccncc1 96060564 HGFWLMXGZIQPRL-OAHLLOKOSA-N 327.388 1.469 0 40 EDAB CCCN1CCN(C(=O)c2nc(O)nc(O)c2N)c2ccc(F)cc21 332205651 HBDHMFHANNKAAO-UHFFFAOYSA-N 347.350 1.486 0 40 EDAB CCN1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(C)cc2)CC1 96181526 QCHPSYYUCLZHCG-ZWKOTPCHSA-N 345.443 1.057 0 40 EDAB CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccsc3)C2)O1 96206746 NZKBTZHJFWOUNH-HUUCEWRRSA-N 344.502 1.811 0 40 EDAB O=C(Cc1ccccn1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 96072501 RVPOXTOJXJRTMI-PKOBYXMFSA-N 339.395 1.858 0 40 EDAB COc1ncccc1CN1CC[C@H]2[C@@H]1CCC(=O)N2c1cnn(C)c1 96064728 YHPPEDWIPAPREW-HOTGVXAUSA-N 341.415 1.594 0 40 EDAB O=C1NCCN(Cc2cc(=O)n3ccccc3n2)[C@H]1c1cccs1 96443534 QXTUKKPASGTLRH-INIZCTEOSA-N 340.408 1.429 0 40 EDAB O=C1CO[C@@]2(COCCN(Cc3ccncc3)C2)CN1c1ccoc1 96051404 LWFOTQLHHGHBGT-GOSISDBHSA-N 343.383 1.309 0 40 EDAB CCc1ccc([C@@H](C)NCCS(=O)(=O)N2CCSCC2)o1 96477314 XFTKASNWGXNLMQ-GFCCVEGCSA-N 332.491 1.871 0 40 EDAB Cc1ccc(N2CCC[C@@H](N3CCCS(=O)(=O)CC3)C2=O)cc1 96441447 ZCBBFDGJXIWXDR-MRXNPFEDSA-N 336.457 1.611 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(CC2CCOCC2)Cc2ccnn21 247491926 MTWMRLXCGQYXDQ-KRWDZBQOSA-N 344.415 1.576 0 40 EDAB COCCn1ccc(NS(=O)(=O)c2ccc(Cl)c(O)c2)n1 585136690 PQTHDJSUGSCGRH-UHFFFAOYSA-N 331.781 1.689 0 40 EDAB CCOC(=O)CCN(C)C(=O)[C@@H]1CCCN(Cc2ccccn2)C1 585135575 QYQUPBYLQJDOBK-OAHLLOKOSA-N 333.432 1.705 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1nnc2ccc(Cl)cn12 585127434 AFUTVEMWRKFPGK-JQWIXIFHSA-N 338.795 1.583 0 40 EDAB O=C(O)[C@H](Cc1sccc1Br)NC(=O)[C@@H]1CCCO1 585134215 IRBGQRXZPZSDDF-IUCAKERBSA-N 348.218 1.802 0 40 EDAB C[C@@]1(c2ccccc2)CN(C(=O)C2CN(C3CCOCC3)C2)CCO1 585132397 VPKWKAJJASRWLL-FQEVSTJZSA-N 344.455 1.871 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 257288943 PWIYWEVGWNKBPW-MRXNPFEDSA-N 344.415 1.895 0 40 EDAB CNc1nccnc1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCO1 257309638 UBTUEQKFFRMDFB-ZDUSSCGKSA-N 334.401 1.281 0 40 EDAB CC(=O)N1CC2(CCN(Cc3ncccc3F)CC2)C[C@@]1(C)CO 257315989 VDQLKUGMQYYPKS-KRWDZBQOSA-N 335.423 1.806 0 40 EDAB COC[C@@H]1CN(Cc2cccc3nccn23)C[C@H]1c1cnn(C)c1 585655646 RNJWCMVNZKEJSN-RDJZCZTQSA-N 325.416 1.930 0 40 EDAB COc1cccc(C[C@H](C)NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 252477122 INFREFJVDBIQKN-QILLFSRXSA-N 347.459 1.789 0 40 EDAB CC(C)Nc1cc(C[C@@H]2CCCN(S(C)(=O)=O)CC2)ncn1 257257447 KPOVXDICPQYOTA-CYBMUJFWSA-N 326.466 1.901 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)COc2ccccc2F)CCO1 257298898 RNSVJKMAFHBVKW-CQSZACIVSA-N 346.362 1.636 0 40 EDAB CCc1nccn1CC(=O)N1CCOC[C@@H]1CCc1cnccn1 257289121 PXAVFCPFOIWRSZ-HNNXBMFYSA-N 329.404 1.096 0 40 EDAB Cc1c(CCC(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cnn1C 257235275 GXDITOLCYXQTQN-IAGOWNOFSA-N 347.390 1.451 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ncoc3C)CC2)C[C@]1(C)CO 257285583 PHWDXTSZXZLRIQ-MRXNPFEDSA-N 335.404 1.209 0 40 EDAB Cn1cnc(C(=O)N2CCCC[C@@H]2c2cc(O)n3ccnc3n2)c1 257317413 VJQVSLWGWNLKSS-CYBMUJFWSA-N 326.360 1.536 0 40 EDAB COCC(=O)N1CCC(Cc2ccc(-c3ccnn3C)nc2)CC1 257250398 JMIYCJUJEJWYBJ-UHFFFAOYSA-N 328.416 1.910 0 40 EDAB Cc1noc(C)c1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 25383364 UWKLOEBQCGXZDW-UHFFFAOYSA-N 334.420 1.062 0 40 EDAB COc1cc(OC)c(C2CCN(c3nnnn3C)CC2)c(OC)c1 593994265 KWXHWOXZHNYYJO-UHFFFAOYSA-N 333.392 1.620 0 40 EDAB C[C@H](CO)N(C)S(=O)(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 1615585284 AKTMTDNYFQXRKQ-ICCXJUOJSA-N 348.262 1.947 0 40 EDAB CO[C@@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/c2ccnn2C)C1 585288947 BXSWVUGNXPZSLD-IPLHWJFFSA-N 348.447 1.309 0 40 EDAB CCn1cnnc1CNC(=O)N1CCOC[C@H]1CC1CCOCC1 1553182850 MSSCOXLDUXFLDF-CQSZACIVSA-N 337.424 1.025 0 40 EDAB CNC(=O)[C@H]1COC2(CN(Cc3cccs3)C2)CN1CC1CC1 585109679 ZKSJGWZWKABTGK-OAHLLOKOSA-N 335.473 1.159 0 40 EDAB COc1cc(CCC(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2O)ccc1C 585284997 LFBZFTZUFRXZSK-KYJSFNMBSA-N 337.416 1.075 0 40 EDAB CCS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 36091899 ZHHSEXZEEFFOIF-AWEZNQCLSA-N 332.853 1.653 0 40 EDAB CO[C@H](C)CC(=O)N[C@H]1CCCN(C(=O)c2cnc3n2CCC3)CC1 1065956326 LJNNJYHCFMHOKV-KGLIPLIRSA-N 348.447 1.365 0 40 EDAB CCN1CCN(c2ccc(N[C@H](C)C(=O)NC(=O)NC)c(C)c2)CC1 56170201 FOIFWKQHAPOAFL-CQSZACIVSA-N 347.463 1.393 0 40 EDAB CCNC(=O)CN1CCN(c2ccnc3c(F)ccc(F)c23)CC1 58266338 SGRFNRZXKFVNTD-UHFFFAOYSA-N 334.370 1.771 0 40 EDAB COc1ccc(NC(=O)N[C@H]2CCC(=O)NC2=O)cc1OC(F)F 95454889 MHPXSQPVSRXYQN-QMMMGPOBSA-N 343.286 1.223 0 40 EDAB COc1ccc(-c2noc(=O)n2CC(=O)N2CCCC2)cc1OC 58405611 MYKMFNLJRBGHQB-UHFFFAOYSA-N 333.344 1.143 0 40 EDAB O=S(=O)(C1CC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 75165396 WXLNVVOPRSASQQ-UHFFFAOYSA-N 325.312 1.760 0 40 EDAB CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)C1(C(=O)O)CCC1 1594168513 MUUWRXRRIPLJTN-UHFFFAOYSA-N 343.376 1.241 0 40 EDAB Cc1nn(CCO)c(C)c1CNC1CCN(c2ncccn2)CC1 97159956 QNDIVKZEFCUICE-UHFFFAOYSA-N 330.436 1.041 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCN(C)CC2)c(C)c1 97598528 MOQGXUBNJPRMHM-HNNXBMFYSA-N 325.478 1.218 0 40 EDAB O=C(CNC(=O)CC1CCCC1)NCCc1nnc2n1CCCCC2 89819296 XDJOKQSDYKHSAX-UHFFFAOYSA-N 347.463 1.360 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(c4nc(C)ns4)CC3)nn2)n1 301604904 XWCJTRGEXXXXQI-UHFFFAOYSA-N 342.432 1.457 0 40 EDAB COc1ccc(C(=O)N2CCN(C[C@@H](O)C3CC3)CC2)c(OC)c1 85436608 QZSQBEOPEMLEHX-MRXNPFEDSA-N 334.416 1.233 0 40 EDAB CCn1ncc(Br)c1C(=O)NCCc1cn(C)cn1 1615548612 NQHFOLNBVRMTQJ-UHFFFAOYSA-N 326.198 1.372 0 40 EDAB CCN1C(=O)S/C(=C2\C(=O)N(CC(=O)O)c3ccccc32)C1=O 5552360 PCEFXHSFEMKFAK-QXMHVHEDSA-N 332.337 1.544 0 40 EDAB COc1cccc(N2C[C@@H](NC(=O)NC[C@H]3CCCO3)CC2=O)c1 4373323 CLAIUQZNNDUMQZ-SWLSCSKDSA-N 333.388 1.279 0 40 EDAB CCCCNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342458 UQXFMKPIXJUYHP-UHFFFAOYSA-N 329.400 1.767 0 40 EDAB CCOc1nccn2c(CNC(=O)c3cc(C(C)(C)C)n[nH]3)nnc12 239846215 KZHFBSXMEOOQPU-UHFFFAOYSA-N 343.391 1.474 0 40 EDAB COc1ccc(OC)c(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)c1 2037983941 LNTXXHRZGWHVKN-IBGZPJMESA-N 348.443 1.917 0 40 EDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)[C@H]4CC4(C)C)C[C@@H]32)cs1 2056224144 FDGZTYWROBHLCL-ILXRZTDVSA-N 335.473 1.909 0 40 EDAB COCCN[C@@H]1CSC2(C1)CN(C(=O)c1ccnc(F)c1)C2 2056224508 STVLLPJJOUIDNE-LBPRGKRZSA-N 325.409 1.157 0 40 EDAB CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)[C@@H]1CCOC1)C2 1614937770 JUJDNEIABWVVJJ-CQSZACIVSA-N 348.447 1.175 0 40 EDAB O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCCC1 387313 IHZBNCMOWAMTDG-UHFFFAOYSA-N 337.228 1.894 0 40 EDAB CC(C)(C)n1ncc2c(=O)n(NC(=O)COc3ccccc3)cnc21 10250851 ASXDLJSAMBTLSW-UHFFFAOYSA-N 341.371 1.497 0 40 EDAB O=C(NCc1cn(Cc2ccccc2)nn1)c1ccc2c(c1)OCO2 1775971264 LSPIJKFGFAUKRC-UHFFFAOYSA-N 336.351 1.985 0 40 EDAB O=C(Cn1ccc2ccccc21)N1CCN(c2nccs2)C(=O)C1 1775966318 XYIYFDLDEATIDY-UHFFFAOYSA-N 340.408 1.973 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 43979740 YQCZMLBBYDFMPD-ZDUSSCGKSA-N 340.445 1.242 0 40 EDAB Cc1cc(C(=O)Nc2cc3c(cc2C)N(C)S(=O)(=O)N3C)no1 575613881 XNXWOCGGQWYQGH-UHFFFAOYSA-N 336.373 1.675 0 40 EDAB O=C(c1ccc(N2CCOCC2)cc1)N1CC(Nc2cccnn2)C1 606440609 KBGGEBQLPACZII-UHFFFAOYSA-N 339.399 1.250 0 40 EDAB Cc1nc(N2CCN(Cc3cnn(C)c3)[C@@H](C)C2)c2ccncc2n1 2298049972 CHTCRDKIPBLMIY-ZDUSSCGKSA-N 337.431 1.777 0 40 EDAB Cc1cc([C@H](O)CCNC(=O)C(=O)NCc2ccc(F)cc2)c(C)o1 85561990 BWZYWKIDXRXLIP-MRXNPFEDSA-N 348.374 1.892 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCC(C(=O)Nc2ccncc2)CC1 31374674 VHKJRNQJXHVUTC-SWLSCSKDSA-N 344.415 1.031 0 40 EDAB COc1ccc(Cl)cc1CC(=O)NCCN1C(=O)CSC1=O 40555073 LGRGTAWYLXXJIQ-UHFFFAOYSA-N 342.804 1.703 0 40 EDAB C[C@@H](CNC(=O)[C@H](Cc1ccccc1)n1cnnn1)N1CCCC1 40522504 RWFLNWYKSPMGJO-HOCLYGCPSA-N 328.420 1.057 0 40 EDAB COc1ccccc1CNc1nc(NCCCO)c2cnn(C)c2n1 32124248 RDCSLCCPKMLMFD-UHFFFAOYSA-N 342.403 1.778 0 40 EDAB biogenic O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Oc1ccc2c(c1)OCO2 102209843 DSXSCCPYIIKCQU-TXEJJXNPSA-N 331.324 1.496 0 40 EDAB CCCCNc1nnc(S[C@@H](C)C(=O)N2CCNC2=O)s1 32774430 IFDGIVFATUMMDE-QMMMGPOBSA-N 329.451 1.783 0 40 EDAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc[nH]c1=O 32708466 NFKLWGQWTRCINY-UHFFFAOYSA-N 341.367 1.029 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)COc2ccc(F)cc2Br)C1 41127361 VEGVORZPAODJJB-QMMMGPOBSA-N 345.168 1.301 0 40 EDAB CC(C)(C)NC(=O)CN1CCN(C(=O)NOCc2ccccc2)CC1 32889791 KUJTUNQFVDZCAP-UHFFFAOYSA-N 348.447 1.360 0 40 EDAB CN(CC(N)=O)CC(=O)NCc1ccc(COc2ccccc2)cc1 52831964 UIJUQNDEPYZXDM-UHFFFAOYSA-N 341.411 1.299 0 40 EDAB CCOCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 2917288 NKGWBIAGODXUOS-UHFFFAOYSA-N 342.399 1.651 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)Cn1nc(C)c2ccccc2c1=O 53427890 KUWJBQAPCVJWGU-AWEZNQCLSA-N 329.400 1.732 0 40 EDAB COc1ccc(NC(=O)COC(=O)c2c(C)nn(C)c2C)c(OC)c1 8921593 LAUZIHLQSVIZQL-UHFFFAOYSA-N 347.371 1.850 0 40 EDAB COC(=O)[C@](C)(Cl)CNS(=O)(=O)c1ccc(Cl)cc1 2697791 PJWMPBWINLHRGW-LLVKDONJSA-N 326.201 1.789 0 40 EDAB COc1ccc(C(=O)NC2CCN(CC(=O)NC(C)(C)C)CC2)cc1 4910170 OZRXIVMLNNHVSZ-UHFFFAOYSA-N 347.459 1.804 0 40 EDAB COc1ccc(CN2CCN([C@@H](C)C(=O)NC(C)C)CC2)cc1F 23248880 NILSZXQSTNRSHP-AWEZNQCLSA-N 337.439 1.865 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1ncccn1 8069692 UJIHQXWRGZAVLS-LBPRGKRZSA-N 331.397 1.867 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccc1OC 8476056 LBMCPTDZVSORMM-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB CC(=O)NCCNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 43141232 XASUOGNAGLIFSI-AWEZNQCLSA-N 333.388 1.440 0 40 EDAB CCn1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)c1C 24775439 QOZJFCHWJBSPPS-INIZCTEOSA-N 335.429 1.735 0 40 EDAB O=C(CNC(=O)c1ccc(Br)cc1)N[C@H]1CCC[C@@H]1O 97096104 OIXMPKOPOZQMFK-RYUDHWBXSA-N 341.205 1.209 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 106825618 DUHKJZGEAFLNMR-WBVHZDCISA-N 338.411 1.959 0 40 EDAB CC[C@H]1CN(CC(=O)N(C)Cc2ccc(C)o2)CCN1C[C@H](C)O 106869344 FCWUPCAUZNQUCL-HOCLYGCPSA-N 337.464 1.323 0 40 EDAB CO[C@@]1(C)C[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)C1(C)C 97049447 VRXLAEBSKRGZJU-YJBOKZPZSA-N 340.512 1.469 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@]6(C=CC=C[C@]516)[C@H]2[C@@H]43 104286541 BPXCBGYWWVEAFS-OVGUFWMDSA-N 329.359 1.515 0 40 EDAB COc1cccc([C@H](CNC(=O)[C@@H](NC(C)=O)C(C)C)N(C)C)c1 57288645 GNSVMNBGCNJUBV-IRXDYDNUSA-N 335.448 1.575 0 40 EDAB C[C@@H](CNC(=O)Nc1ccccc1-n1cccn1)N1CCOCC1 48149856 AASXOLCXQCXBRW-AWEZNQCLSA-N 329.404 1.715 0 40 EDAB O=C(COC[C@@H]1C[C@H]2OCCN(Cc3ccoc3)[C@@H]2C1)N1CCCC1 107804515 AEGTVJDZWDFFDG-RCCFBDPRSA-N 348.443 1.898 0 40 EDAB Cn1ccnc1[C@H](NC(=O)Cn1ccccc1=O)c1cccc(F)c1 44890261 NEOKXVAMGWTBBZ-QGZVFWFLSA-N 340.358 1.627 0 40 EDAB CCCN(Cc1ccccc1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 44892945 YDIYWYJRXQRORT-ZHACJKMWSA-N 341.411 1.536 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C[C@@H](C)O1 44834591 RAJZBLIAGPBUDV-NFAWXSAZSA-N 332.400 1.633 0 40 EDAB CC(C)N(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 58289303 MNTBFSJIKKWWCS-CYBMUJFWSA-N 328.409 1.344 0 40 EDAB O=C(NCCNS(=O)(=O)c1cccs1)c1ccc(F)cc1F 58289528 OKHPMQFFTYBVJP-UHFFFAOYSA-N 346.380 1.735 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)c1cccnc1OCC(F)(F)F 44943396 YUOLORJEMPENBY-LLVKDONJSA-N 347.337 1.473 0 40 EDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3ccccn3)CC2)C1 108527492 VBOCJDFYVAOLRC-CQSZACIVSA-N 339.461 1.144 0 40 EDAB C[C@@H]1CN(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CCO1 72235867 PHLASWJVMIMUQL-SJLPKXTDSA-N 346.475 1.405 0 40 EDAB CCC[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245321 WSEIKJWQKJWPIU-LBPRGKRZSA-N 345.440 1.743 0 40 EDAB COCCCC(=O)N[C@@H](CN1CCN(C)CC1)c1ccc(OC)cc1 58393827 ZGPACEOSHLKSCD-SFHVURJKSA-N 349.475 1.527 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CCCCN1C 72295741 DFQOOEYKRRTMMD-PKOBYXMFSA-N 344.503 1.798 0 40 EDAB Cc1cc2n(n1)C[C@@H](CN[C@H](Cc1ccccc1)CN(C)C)CN2 58428882 XKKFBGBQQILOJM-ZWKOTPCHSA-N 327.476 1.996 0 40 EDAB CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 72288926 AHHFGJXWYNGANW-ZFWWWQNUSA-N 348.399 1.571 0 40 EDAB O=C(NOCc1ccccc1)c1ccccc1CN1C(=O)CNC1=O 10963866 WAGCDKLIXAEBAQ-UHFFFAOYSA-N 339.351 1.600 0 40 EDAB COc1ccc(/C=C/C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 3371916 LQJXNBVAJVYVSI-JXMROGBWSA-N 334.372 1.876 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1 11128157 LWNZZIABGMMMHD-OAHLLOKOSA-N 332.448 1.679 0 40 EDAB Nc1nccnc1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 97107715 RNYSMSRCCMXFCH-UHFFFAOYSA-N 342.334 1.611 0 40 EDAB CCc1noc(CN(C)S(=O)(=O)Cc2noc3ccccc23)n1 97137359 USSKEBPGSPNBMI-UHFFFAOYSA-N 336.373 1.735 0 40 EDAB C[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1nnnn1-c1ccccc1 97135233 UZIRPLUQYJCPGV-CJNGLKHVSA-N 340.431 1.714 0 40 EDAB COc1ccc(-c2cc(=O)n3nc(C)c(=O)nc3s2)cc1OC 28527231 ITROEPLVVBKKJH-UHFFFAOYSA-N 331.353 1.504 0 40 EDAB Cc1cc(NC(=O)CN2CCN(Cc3ccsc3)CC2)n(C)n1 29598775 XRJZCRIPCBRKAR-UHFFFAOYSA-N 333.461 1.546 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)NC[C@@H]1Cc2ccccc2O1 46277864 UBXYBDBJYJMIIN-HNNXBMFYSA-N 349.390 1.907 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(F)c(F)c1F 2626806 NDWBTDXLPZBIPG-UHFFFAOYSA-N 334.257 1.848 0 40 EDAB COc1ccc(-c2cc(-c3nnc(SCC(=O)O)n3N)n[nH]2)cc1 9089378 MDMCGTPPTJRGCZ-UHFFFAOYSA-N 346.372 1.234 0 40 EDAB CN(C(=O)CSc1nc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 5034003 WOWKNVKDWKDWAX-JTQLQIEISA-N 340.426 1.565 0 40 EDAB O=C(NCC1CCN(CCO)CC1)c1cccc(Br)c1 84363232 BCKQKVVVQYUSHC-UHFFFAOYSA-N 341.249 1.883 0 40 EDAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc(OC)cc1OC 9225270 BKIXVYYLTRMMTE-LLVKDONJSA-N 348.355 1.225 0 40 EDAB CC(=O)NCCNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 39977616 DCCHPXNWLCRMBU-AWEZNQCLSA-N 325.796 1.160 0 40 EDAB CCOC(=O)NCCNC(=O)c1ccc(OC)c(OC(F)F)c1 65575707 WYOWCOXTVBPFSB-UHFFFAOYSA-N 332.303 1.773 0 40 EDAB CC(=O)N[C@@H](CC(=O)Nc1cccnc1C(N)=O)c1ccc(C)cc1 65549033 PXUITCQXEVPPPM-HNNXBMFYSA-N 340.383 1.695 0 40 EDAB C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 65606475 ACSSJGDXYHMNRE-SECBINFHSA-N 336.866 1.938 0 40 EDAB Cc1nc(C2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)no1 65625309 YUVUJNUDDFFFAF-UHFFFAOYSA-N 338.371 1.979 0 40 EDAB CCOC(=O)c1ccc(OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1 14200880 WJMRZTCOMKIUOB-IJEWVQPXSA-N 337.416 1.712 0 40 EDAB CCc1nnc2n1N=C(CCN1C(=O)c3ccccc3C1=O)CS2 19772695 KNGGNRAHMLRIQY-UHFFFAOYSA-N 341.396 1.837 0 40 EDAB CCCOC(=O)c1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1 6940525 RZIZENNGYLMBKY-UHFFFAOYSA-N 347.415 1.389 0 40 EDAB NC(=O)[C@@H](CNC(=O)c1cccc2cn[nH]c12)Cc1ccc(F)cc1 67685252 LEYROYDGEGGFQK-CYBMUJFWSA-N 340.358 1.776 0 40 EDAB Cc1ccc(-c2noc(Cn3nnn(-c4ccccc4)c3=O)n2)cc1 9483718 UHMGPJWGMNIJQX-UHFFFAOYSA-N 334.339 1.836 0 40 EDAB CCCNC(=O)[C@@H](C)OC(=O)c1ccc(CS(C)(=O)=O)cc1 7864019 DPCLMJTWRIFVTA-LLVKDONJSA-N 327.402 1.303 0 40 EDAB CC[C@H](C)[C@](C)(O)CNC(=O)c1cnc2sc(C)c(C)n2c1=O 96492916 ZXNZWKITRLYNAK-XXFAHNHDSA-N 337.445 1.900 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 70029582 QBXSHUSTPYFRBA-SMDDNHRTSA-N 336.436 1.878 0 40 EDAB Cc1nnc2ccc(N3CCN(Cc4ccccc4F)CC3)nn12 69376195 XUGIAZZPUJYZRJ-UHFFFAOYSA-N 326.379 1.894 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(CCC(=O)Nc2ccccc2)C1 69420888 SOIWYORANMRHGV-AWEZNQCLSA-N 339.461 1.276 0 40 EDAB CCN1CCN(C(=O)CNC(=O)NCc2ccco2)c2ccccc21 71896733 SHKDGXNCOKTVJL-UHFFFAOYSA-N 342.399 1.952 0 40 EDAB Cc1nnc2ccc(C(=O)N3CCCN(c4cccnn4)CC3)cn12 71860364 JFVYMXYJNQEYNJ-UHFFFAOYSA-N 337.387 1.180 0 40 EDAB COc1ccccc1CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 69532869 LQBALSMBVIHACJ-INIZCTEOSA-N 347.459 1.297 0 40 EDAB O=C(N[C@@H]1CCc2c(O)cccc21)[C@@H]1CC(=O)N(CC(F)(F)F)C1 71898045 OQYPCCLGIMEXKS-BXKDBHETSA-N 342.317 1.907 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2C 71847639 CCZMCOMEKVQJGF-NSHDSACASA-N 341.367 1.946 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](n2ccnc2)C1 69656626 SHUCDYUUJYYHIK-AWEZNQCLSA-N 337.383 1.457 0 40 EDAB CCc1nnc(CN2CCCN(C(=O)c3scnc3C)CC2)o1 71824844 PIANGIUYBHXHKI-UHFFFAOYSA-N 335.433 1.745 0 40 EDAB Cn1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)n1 71894021 NPUDAQZZCHYZEI-UHFFFAOYSA-N 327.432 1.961 0 40 EDAB N=c1n(CCOc2ccc(F)cc2)c2ccccc2n1CC(N)=O 19973655 OPISMLBNJKFYBG-UHFFFAOYSA-N 328.347 1.626 0 40 EDAB O=C(CNC(=O)c1ccccc1)OCc1cc(=O)n2ccccc2n1 18035465 BLJGQENBJBWQIS-UHFFFAOYSA-N 337.335 1.168 0 40 EDAB Cc1cc(C(=O)NCCS(=O)(=O)N2CCSCC2)c(C)s1 69893557 JMQKYNMDUVWWNZ-UHFFFAOYSA-N 348.515 1.473 0 40 EDAB O=C(NCCc1nnc(-c2ccccc2)o1)N[C@@H]1CCCC[C@@H]1O 95431860 TVQYTSMCINWKGB-KGLIPLIRSA-N 330.388 1.882 0 40 EDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)N[C@@H](C)Cn2cncn2)o1 84195280 NXRMDNGRMPDJKL-AAEUAGOBSA-N 339.421 1.240 0 40 EDAB C[C@@H](CNC(=O)c1nccnc1C(N)=O)Oc1ccc(Cl)cc1 74158283 AMAPMYPMSKSRQX-VIFPVBQESA-N 334.763 1.426 0 40 EDAB CNS(=O)(=O)c1ccc([C@@H](C)NCc2nnc(C(C)C)o2)cc1 95984623 DEMXFBMTSIKLAL-LLVKDONJSA-N 338.433 1.952 0 40 EDAB O=C(O)COc1cccc(CNC(=O)[C@H]2Cc3ccccc3O2)c1 95970710 OMXOOLNHHGEVSG-MRXNPFEDSA-N 327.336 1.770 0 40 EDAB O=C(NC[C@H]1CCC[C@H]1O)c1cn(-c2cccc(Cl)c2F)nn1 95989132 VKZVKHDHJLULAP-NOZJJQNGSA-N 338.770 1.951 0 40 EDAB Cc1cc(C)n(-c2cncc(NCC3(CS(C)(=O)=O)CC3)n2)n1 89595908 BSIKPDCLEAVRKO-UHFFFAOYSA-N 335.433 1.516 0 40 EDAB O=C(c1ccn(-c2ccccc2F)n1)N1CCCC2(C1)OCCO2 89821323 YRWQMFCBJAAILW-UHFFFAOYSA-N 331.347 1.991 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N3C[C@@H](C)[C@@H](N(C)C)C3)cnc12 76051077 GMHUHRGRKONDKG-ZBFHGGJFSA-N 342.443 1.504 0 40 EDAB Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)n1 76060272 AZLISQXJVPCZAV-ZDUSSCGKSA-N 344.419 1.118 0 40 EDAB NC(=O)c1cc(C(=O)N2CCN[C@@H](c3ccc(Cl)cc3)C2)c[nH]1 1548479195 RXPLMQCAXSWBJW-CQSZACIVSA-N 332.791 1.554 0 40 EDAB CN(C)c1cc(N2C[C@H]3OC[C@@H](CN4CCCCC4)[C@H]3C2)ncn1 306123363 AKYUGMHIYZQJEV-BZUAXINKSA-N 331.464 1.480 0 40 EDAB CCOC(=O)[C@H](CSC(=O)C(C)(C)Br)NC(C)=O 68605780 HXFJXRCDTSKNKV-QMMMGPOBSA-N 340.239 1.488 0 40 EDAB O=C(Cc1noc(C(=O)NC2CCCC2)n1)NCc1ccccc1 36357273 YERRHNSJQDVUKW-UHFFFAOYSA-N 328.372 1.601 0 40 EDAB CS(=O)(=O)N1C[C@]2(CCN(Cc3ccccn3)C2)c2ncccc21 306135967 PFEUPVJYABICPV-QGZVFWFLSA-N 344.440 1.400 0 40 EDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CO)cc1 218098733 ALWJDKVZIBLYRE-YESZJQIVSA-N 333.409 1.325 0 40 EDAB CC(=O)N1CC[C@H]1c1cc(NCC(=O)N2CCCCC2)nc(C)n1 72387083 KPMPTVWCEYDDJN-HNNXBMFYSA-N 331.420 1.503 0 40 EDAB O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1CCCC[C@H]1C(F)(F)F 558408866 IMAVEQICHARKBI-NFAWXSAZSA-N 334.382 1.928 0 40 EDAB C[C@H](NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1)c1ccncc1 72237867 UZROWWSMMMIPKL-KKXDTOCCSA-N 339.395 1.857 0 40 EDAB C[C@H](C(=O)Nc1nc2c(s1)CCC2)n1nnc2ccccc2c1=O 71328832 IAFVAEHFYPJQSD-SECBINFHSA-N 341.396 1.936 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@H](CN)C[C@H]2C)c2cccnc12 563121544 LCHCEHFOINXLPS-NEPJUHHUSA-N 335.429 1.601 0 40 EDAB CCS(=O)(=O)C1CN(C(=O)Nc2ccnn2[C@@H](C)C2CC2)C1 566312291 OVYVMLQWIGAUMK-JTQLQIEISA-N 326.422 1.505 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)c3cnc(C)s3)CC2)n1 69560117 FAQPHAOQTQFORK-UHFFFAOYSA-N 347.444 1.911 0 40 EDAB CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C 136835576 FLAJQFOSRMJUDQ-FNSAGKMKSA-N 326.393 1.525 0 40 EDAB COc1ccc(N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)nc1 569081827 SJDYWYWCFIEQTF-UHFFFAOYSA-N 327.388 1.195 0 40 EDAB Cn1ncc2c(N)nc(N3C[C@H](O)C[C@H]3c3ccc(F)c(F)c3)nc21 569513094 OGQNEUURMBKLDC-RNCFNFMXSA-N 346.341 1.536 0 40 EDAB C[C@](O)(CNC(=O)COc1ccccc1F)c1ccc2c(c1)OCO2 75155437 CYIHINANXDXNTG-SFHVURJKSA-N 347.342 1.957 0 40 EDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCCCn1cccn1)O2 40779482 BUIYVKMNWVZLJI-KRWDZBQOSA-N 328.372 1.488 0 40 EDAB CCOC(=O)C1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 48368184 QAUODXWBABEQJG-UHFFFAOYSA-N 344.411 1.948 0 40 EDAB O=C(c1cc(-c2ccncc2)on1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 571544073 JRZQCKXQZSPJKY-BMFZPTHFSA-N 343.383 1.739 0 40 EDAB CCN1CCN(C(=O)Cn2cc(COc3ccc(F)cc3)nn2)CC1 227160619 RWRYWNKDIIRIEO-UHFFFAOYSA-N 347.394 1.160 0 40 EDAB Cn1nnc(CN(CC(=O)O)Cc2cccc(Br)c2)n1 573009192 VIEJXXYPSMNOKP-UHFFFAOYSA-N 340.181 1.059 0 40 EDAB CCNC(=O)[C@@H]1CC(=O)Nc2[nH]c(N3CCCC[C@@H]3CC)nc(=O)c21 139114005 KCUIPDAMCAQWSZ-WDEREUQCSA-N 347.419 1.101 0 40 EDAB Cc1cnc2n(c1=O)C[C@@H](C(=O)NCCOc1ccccc1)CS2 85473781 PSSPTPFQOVIYOB-CYBMUJFWSA-N 345.424 1.469 0 40 EDAB O=C(c1cc[nH]n1)N1CCCn2cnc(COc3cccnc3)c2C1 96259985 XMGKHUHPEDYYPA-UHFFFAOYSA-N 338.371 1.626 0 40 EDAB CNC(=O)CN1CCC(N[C@@H](c2nc[nH]n2)C2CCCCC2)CC1 582701798 JGTIJFGAAZOUAZ-MRXNPFEDSA-N 334.468 1.226 0 40 EDAB CN1CCN(C(=O)[C@H]2CCCN2c2nc(C(F)(F)F)cs2)CC1 95428430 PYRWKCZSNNWYCF-SNVBAGLBSA-N 348.394 1.905 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 96055507 JLUOEOSFHCNRBK-VHDGCEQUSA-N 338.429 1.432 0 40 EDAB Cc1csc(CN2C[C@H]3OC[C@H](C(=O)NCc4ccco4)[C@H]3C2)n1 96216784 SWPWIHCKNNWSAQ-QLFBSQMISA-N 347.440 1.808 0 40 EDAB CS(=O)(=O)C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@H](CO)O1 96531720 METLYINLHNHIRK-JOYOIKCWSA-N 341.212 1.599 0 40 EDAB CN(C)C(=O)CN1CC[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2C1=O 96054628 MHIDTOCOLUMOQW-HOCLYGCPSA-N 333.407 1.194 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)N2CCn3ccnc3C2)[C@H]1n1cccn1 579923920 MNKGUEMOKVUWPD-UMVBOHGHSA-N 330.392 1.024 0 40 EDAB CN1C[C@H](c2nc[nH]n2)c2cc(C(=O)NCc3ccncc3)ccc21 96156325 ZZOXVCCIPHSALT-HNNXBMFYSA-N 334.383 1.711 0 40 EDAB CCN(CC)Cc1cnc2n1CCN(C(=O)c1cccn1C)CC2 96196830 GUCPUJBMADYNJO-UHFFFAOYSA-N 329.448 1.762 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)cn1 96063319 ZNYRQQZCGHHIOG-FUHWJXTLSA-N 333.432 1.342 0 40 EDAB Cc1onc(N)c1S(=O)(=O)Nc1ccc(C[C@H](C)C(=O)O)cc1 581372992 GJJFZFKIUIKDLH-QMMMGPOBSA-N 339.373 1.629 0 40 EDAB Cn1cc([C@@H]2CC3(CCN(C(=O)c4ccco4)CC3)NC2=O)cn1 96069608 WPNCNYIFFLVBTL-ZDUSSCGKSA-N 328.372 1.292 0 40 EDAB CN1CCO[C@@H]2CN(S(=O)(=O)c3ccccc3F)CC[C@@H]2C1 96249562 CQEJBFVNEDGSAW-TZMCWYRMSA-N 328.409 1.167 0 40 EDAB Cc1cc(C)cc(OCCC(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)c1 583617694 GHDRCKJJCJNOTF-GOSISDBHSA-N 344.415 1.701 0 40 EDAB O=C(N1CCCC1)N1CCC[C@]2(COCCN(c3cnccn3)C2)C1 96049657 CXKUABCPECUVGB-GOSISDBHSA-N 345.447 1.611 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)Nc2cc(CC(C)(C)C)nn2C)cn1 96421952 DVCANXIQYIVCOF-KRWDZBQOSA-N 348.451 1.771 0 40 EDAB CCOC(=O)[C@]12CCCN(C(=O)N(C)C)C[C@H]1CN(C(C)C)C2 96055924 WRHKJDQCDMUKDN-YOEHRIQHSA-N 325.453 1.654 0 40 EDAB CN(C(=O)N1CCN(c2ncncc2Cl)CC1)C1CCOCC1 585082795 JFQQEHREERNMHM-UHFFFAOYSA-N 339.827 1.483 0 40 EDAB CC(=O)N1CC2(CCN(Cc3ccnn3C)CC2)C[C@H](O)C1(C)C 257287483 PQEPIWYYTGQVTQ-INIZCTEOSA-N 334.464 1.394 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(Cc2[nH]c3ccc(F)cc3c2C)C1 257211648 BZSDIJPJBRDQHS-ZDUSSCGKSA-N 332.423 1.725 0 40 EDAB CC[C@@H](NC(=O)c1cc(N)nc(Br)c1)[C@@H](O)C(C)C 585131612 AKUXXACHQKVNRG-SKDRFNHKSA-N 330.226 1.952 0 40 EDAB O=C(NC[C@@H](O)CO)c1ccc(-c2ccsc2C(F)(F)F)cn1 585133964 LVQPUZAVNAZCSD-SECBINFHSA-N 346.330 1.912 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCCCCO)C1 585134017 AVZBKWVAGRGISS-INIZCTEOSA-N 330.425 1.027 0 40 EDAB O=C(NCc1cnc(Br)cn1)Nc1ccc(C2CC2)nn1 585120055 LFNBYMFNFVEOQO-UHFFFAOYSA-N 349.192 2.228 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)nc(C)n1 257323788 WLVHGTOYQHGHFL-KRWDZBQOSA-N 343.431 1.586 0 40 EDAB COCCN(C)CCCNC(=O)[C@H](C)NC(=O)CC1CCCCC1 69539055 NDJFNEUSQTWFMK-HNNXBMFYSA-N 341.496 1.546 0 40 EDAB CNc1cc([C@@H]2CCCN2C(=O)CCc2ccnn2C)nc(C)n1 257276915 NVQYCNQAMBPPFP-HNNXBMFYSA-N 328.420 1.857 0 40 EDAB O=C(c1cnn2cccnc12)N1CCC(c2ccn3nccc3n2)CC1 257310692 UGDKHWBYGZOGBB-UHFFFAOYSA-N 347.382 1.792 0 40 EDAB COCC(=O)N1CCCC[C@H]1c1nc(C)cc(-c2ccnn2C)n1 257286785 PNANYQAUGNJTMB-HNNXBMFYSA-N 329.404 1.886 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@H]2c2cnn(C)c2)ccc1=O 69622307 HMIWSUYBJMTAAL-HNNXBMFYSA-N 329.404 1.754 0 40 EDAB O=C(CCn1ccccc1=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257314240 UVZUQMPSDSOAJY-HZPDHXFCSA-N 346.358 1.028 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(C(=O)c3cccn3C)CCO2)ccn1 257257009 KNRPLQJOLDLZHO-INIZCTEOSA-N 342.443 1.960 0 40 EDAB O=S(=O)(c1ccccc1)N1CCOC[C@@H]1CCc1cnccn1 257225338 FFTOSPXULGDLJM-HNNXBMFYSA-N 333.413 1.499 0 40 EDAB COc1cccc(O[C@H]2CCN(C(=O)c3cn(C)cn3)CC[C@@H]2O)c1 257301933 SAQIUMQJXCLBQN-IRXDYDNUSA-N 345.399 1.473 0 40 EDAB Cc1cc2nc(C3CCN(C(=O)Cn4cccn4)CC3)cc(O)n2n1 257341915 ZMKVDCYUSYNERD-UHFFFAOYSA-N 340.387 1.346 0 40 EDAB O=C(O)[C@@H](Cc1ccccc1O)NC(=O)[C@@H]1OCCc2ccccc21 1608541978 NOPJDHMIZZJVLV-NVXWUHKLSA-N 341.363 1.818 0 40 EDAB Cn1nc(CNC(=O)[C@H]2NCCOc3ccccc32)cc1C1CC1 1615544494 BVQZJIBXRFFTJZ-KRWDZBQOSA-N 326.400 1.637 0 40 EDAB COc1cccc(N2C[C@@H](NCc3cnn4c3CCC4)CC2=O)c1 1616044556 UHILEGMEMYTCGM-AWEZNQCLSA-N 326.400 1.733 0 40 EDAB Cc1ccc(C(=O)N2CC[C@](O)(COc3cccc(F)c3)C2)c(O)n1 585275650 FNJIAFBINUXXKR-GOSISDBHSA-N 346.358 1.891 0 40 EDAB COC[C@]1(CC(N)=O)CN(Cc2cccc3ccccc23)CCO1 585279091 STLZGWILBJWKRG-IBGZPJMESA-N 328.412 1.933 0 40 EDAB CNC(=O)[C@H]1COC2(CN(Cc3ccc(C)s3)C2)CN1CC1CC1 585109361 LWAOAPIHLSYSLL-MRXNPFEDSA-N 349.500 1.468 0 40 EDAB O=C(NC1CCC1)C1=NO[C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]12 585109202 ZWOOILSQSJDRHG-LSDHHAIUSA-N 345.374 1.250 0 40 EDAB COCc1ccc(C(=O)N2CCC[C@H](OC)[C@@H]2CCC(N)=O)cc1 585277523 IDYYJTOEBGNJEG-HOTGVXAUSA-N 334.416 1.718 0 40 EDAB CNC(=O)CC[C@]1(O)CCCN(C(=O)/C=C/c2csc(C)n2)C1 585289804 KCFNLSIEIVDMGR-DWTRPJMMSA-N 337.445 1.344 0 40 EDAB CC(=O)c1cc(C(=O)N2C[C@@H]3CCN(Cc4cccnc4)[C@@H]3C2)n[nH]1 585107670 OFFHVCFWTSBAEF-WMLDXEAASA-N 339.399 1.354 0 40 EDAB Cn1nccc1/C=C/C(=O)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 585290644 ZFCRFTQDMQMXGB-FEHORCSSSA-N 325.412 1.885 0 40 EDAB O=C(c1cnc(NC[C@@H]2CCCO2)c(Cl)c1)N1CCOCC1 66385976 URFKFKJEBCLJOZ-LBPRGKRZSA-N 325.796 1.798 0 40 EDAB COc1ccc2c(ccn2CC(=O)N2CCn3c(C)nnc3C2)c1 69770029 BWSNUNQPYJSRLM-UHFFFAOYSA-N 325.372 1.592 0 40 EDAB COc1ccc([C@H](CN2CCN(C)CC2)NC(=O)c2cc[nH]n2)cc1 75581933 SWHYQRVGANAZBX-KRWDZBQOSA-N 343.431 1.137 0 40 EDAB Cc1nnc(COC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)o1 84291519 MZBTVLIUNKLMJI-CQSZACIVSA-N 341.367 1.963 0 40 EDAB CCCNC(=O)c1cccc(C(=O)N2CC[S@@](=O)[C@@H](C)[C@@H]2C)c1 78122595 FTGDTRIWGHBIHI-XCMOZONUSA-N 336.457 1.808 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2c(C)n[nH]c2C(N)=O)c(Cl)c1 78601481 WDPKMYLRROKFSQ-UHFFFAOYSA-N 328.781 1.580 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CC[C@H](N(C)Cc2noc(C3CC3)n2)C1 89448668 ZMTXFANPEXQMSJ-RISCZKNCSA-N 333.436 1.120 0 40 EDAB Cc1ccc(-c2nnn(CC(=O)NC(=O)NC3CCCCC3)n2)cc1 5491830 PCABUIYAIFLWPA-UHFFFAOYSA-N 342.403 1.807 0 40 EDAB O=C(c1cccs1)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 12181433 LJMPURNMXPDNCX-UHFFFAOYSA-N 330.413 1.630 0 40 EDAB Cc1ccn(CCNC(=O)c2sc3ncn(C)c(=O)c3c2C)n1 12199178 UXZYRGRKJUXDIC-UHFFFAOYSA-N 331.401 1.238 0 40 EDAB C[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16022288 FWNYGABLTFFVSY-KDSOVNPWSA-N 345.374 1.365 0 40 EDAB CC(C)C[C@@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 16754474 JMPKMGUKLHYPQY-QRJUGERDSA-N 346.427 1.067 0 40 EDAB COC(=O)c1cc(NC(=O)c2cnc(C)nc2C)cc(C(=O)OC)c1 19937126 JQUDEBKIDOUKKA-UHFFFAOYSA-N 343.339 1.919 0 40 EDAB CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)c1 9738744 JSTLFGYSAXBWAR-SECBINFHSA-N 333.344 1.179 0 40 EDAB CCCN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1COC[C@@H](O)[C@H]1O 643551087 IRTJGVXLBTYQHO-GGPKGHCWSA-N 343.423 1.742 0 40 EDAB O=C(NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O)c1cccc(O)n1 643585217 UHPGHMQQFAEQRN-SRCQZFHVSA-N 328.368 1.736 0 40 EDAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)[C@H]1CCOC1 238861585 KUDZUODSHFJRQQ-NSHDSACASA-N 338.791 1.214 0 40 EDAB C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)O)CC2)[C@@H]1c1ccccc1 563067294 DNSWYGNPAJCAJF-WFASDCNBSA-N 338.429 1.721 0 40 EDAB O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)C(=O)NC1CC1 17178414 AHLLJQCHWVHZCU-KRWDZBQOSA-N 345.443 1.235 0 40 EDAB COCc1cccc(CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)c1 572763487 MJANQVQVOUMBLK-AWEZNQCLSA-N 329.404 1.280 0 40 EDAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@@H](C)C[C@@H](C)C1)C2=O 17948736 CHNMVRRTFAJZCU-MBIJGJCISA-N 335.448 1.992 0 40 EDAB NC(=O)c1ccccc1OS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 19681442 PAMIRCNBLJKTMO-UHFFFAOYSA-N 346.364 1.438 0 40 EDAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccco1 20768354 FJSKJWSXXVKDAH-UHFFFAOYSA-N 334.397 1.994 0 40 EDAB O=C(CSc1cccc[n+]1[O-])Nc1ccc(C(=O)NC2CC2)cc1 24469997 MZZSBAWMRUCXPB-UHFFFAOYSA-N 343.408 1.943 0 40 EDAB CCn1ncc(Br)c1C(=O)N[C@@H](C)CN1CCOCC1 22248223 VHWMPJOHYPWPCT-JTQLQIEISA-N 345.241 1.116 0 40 EDAB O=C(CSc1ccc(F)cc1)NCc1nnc2c(O)nccn12 238936722 VOOASCJDGZGOSK-UHFFFAOYSA-N 333.348 1.378 0 40 EDAB CS(=O)(=O)[C@H]1CCN(C(=O)c2ccccc2Br)C1 96365055 BQIOAANHULXOIB-VIFPVBQESA-N 332.219 1.708 0 40 EDAB O=C(c1csnn1)N1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 1614934456 PIXKLJBFIHYERJ-CQSZACIVSA-N 334.426 1.869 0 40 EDAB COc1cnccc1C(=O)N1C[C@H]2Cc3nc(N(C)C)ncc3[C@@H]2C1 1565551728 JXHAERMSBSCEBP-BXUZGUMPSA-N 339.399 1.358 0 40 EDAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)cn1 1565552060 ODXMYDXEFPENRU-FLXSYLCISA-N 345.443 1.251 0 40 EDAB CN1C(=O)c2cccnc2C12CCN(C(=O)CCc1ccc[nH]1)CC2 1565554682 DMFDRHGPRYDKBS-UHFFFAOYSA-N 338.411 1.946 0 40 EDAB COc1ccccc1CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 5250941 KZVQQRKOFFNMLW-UHFFFAOYSA-N 342.351 1.721 0 40 EDAB CC(C)n1c(N(C)C)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 23115427 IBMORCRQMJIWLU-UHFFFAOYSA-N 341.415 1.592 0 40 EDAB O=C(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(O)nn1 38486357 BSYHVDZPRRDISP-UHFFFAOYSA-N 337.339 1.448 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2)C1 225807211 DGRWONIKZWDDAF-ZFWWWQNUSA-N 343.383 1.932 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)NCc2cccs2)CC1 43980475 BMKQFFRPDFDCDP-UHFFFAOYSA-N 331.463 1.219 0 40 EDAB CN(C)C(=O)CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12 48987641 SHVRVBQHKNWWLE-UHFFFAOYSA-N 347.375 1.200 0 40 EDAB COc1ccc(CCNC(=O)N2CC[C@H](Oc3ncccn3)C2)cc1 575611440 XQRSMZDJEPKXBQ-INIZCTEOSA-N 342.399 1.891 0 40 EDAB OCCOCCOc1cccc2c(OCCOCCO)cccc12 3844446 JCESIYPEGRFYRB-UHFFFAOYSA-N 336.384 1.615 0 40 EDAB biogenic,in-vitro CNC(=O)c1cc(NC(=O)NC[C@H](C)N2CCOCC2)ccc1F 50088579 FDHAILGCIJICQS-NSHDSACASA-N 338.383 1.028 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCc1ccco1 31053809 VINHQWYWJFEWTI-LLVKDONJSA-N 337.401 1.830 0 40 EDAB CCOc1ccc2[nH]c3c(N4CCN(CCO)CC4)ncnc3c2c1 20357489 USJLXJZOCGTBDG-UHFFFAOYSA-N 341.415 1.624 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CCO1 40510944 ZJYAYNJMEKEVIQ-MRVPVSSYSA-N 346.792 1.080 0 40 EDAB Cn1cnnc1-c1cccc(NC(=O)c2n[nH]c(=O)c3ccccc23)c1 31806621 MMRSMHKNKFKBGL-UHFFFAOYSA-N 346.350 1.971 0 40 EDAB COc1ccc(CN2CCCN(C(=O)c3cnccn3)CC2)cc1 32893639 BUMUEWXEGORODC-UHFFFAOYSA-N 326.400 1.833 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@@H]1CC(=O)N(c2ccccc2)C1 32817019 YCBAPXKDBIOXCQ-CYBMUJFWSA-N 348.366 1.654 0 40 EDAB CCOc1cc(CNCCNCCO)cc(Br)c1OC 22076086 DTTUTTPHTWHXQJ-UHFFFAOYSA-N 347.253 1.528 0 40 EDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)c1ccccc1OC 33470449 DYECJSHJZJSRTR-OVCLIPMQSA-N 335.381 1.858 0 40 EDAB C[C@H](CNC(=O)NCCc1cnn(C)c1)N1CCc2sccc2C1 46993059 GCHRTKKVEJBINR-CYBMUJFWSA-N 347.488 1.770 0 40 EDAB O=C(NCCc1ccc(O)cc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 77463623 VKJTXBVMUCNDCA-HNNXBMFYSA-N 339.395 1.495 0 40 EDAB COc1ccc([C@H](CNC(=O)c2ccccn2)N2CCOCC2)cc1 22686094 CZIMCQPPDUHVRB-SFHVURJKSA-N 341.411 1.894 0 40 EDAB O=S(=O)(NCCc1nnc2ccccn12)c1c[nH]c2ncccc12 79047986 DISMBYXKCMWGBC-UHFFFAOYSA-N 342.384 1.127 0 40 EDAB COc1cc2c(cc1OC)-c1cc(NCCCCN)nc(=O)n1CC2 2098010 NKGLLNVWHPCAEL-UHFFFAOYSA-N 344.415 1.634 0 40 EDAB biogenic O=C(NCCCN1CCN(c2ncccn2)CC1)c1ccccc1O 22955904 ADRFXZMEABPERJ-UHFFFAOYSA-N 341.415 1.124 0 40 EDAB Cc1cccc2c(=O)n(CCCC(=O)O[C@H]3CCOC3=O)cnc12 12461513 OQNOOSWEYCEKAR-ZDUSSCGKSA-N 330.340 1.344 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)nnn3CC)C1 23977783 GLZDEHPMRFMVBZ-ZDUSSCGKSA-N 330.388 1.867 0 40 EDAB FC(F)(F)c1cc(NCCn2ncnn2)nc(-c2cccnc2)n1 84425246 NBPNASXXVZULSC-UHFFFAOYSA-N 336.281 1.656 0 40 EDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccnc2)C1=O 24063529 SQEHFFAXCNXGMW-SFHVURJKSA-N 338.367 1.877 0 40 EDAB C[C@H]1CN([C@H](C)CNC(=O)Cc2noc3ccccc23)C[C@@H](C)O1 106057222 QYXGOVGUDQKPFM-MCIONIFRSA-N 331.416 1.984 0 40 EDAB Cc1ccn(-c2ccc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nn2)n1 95399232 DQLSBDHTYXSVKQ-OAHLLOKOSA-N 340.431 1.810 0 40 EDAB O=C1[C@@H](N2CCC[C@H](O)C2)CCN1c1ccccc1OC(F)F 95397851 ZFFFADYRJIQJSN-AAEUAGOBSA-N 326.343 1.850 0 40 EDAB COCCN1CCN(Cc2cc(=O)n3cccc(C)c3n2)C[C@@H]1C 106776587 RDMDGGQGJQJPBQ-HNNXBMFYSA-N 330.432 1.155 0 40 EDAB CN1CCO[C@H](CNC[C@@H](O)COc2ccc(Cl)cc2Cl)C1 106908594 GPCOZDJLKWBIIT-CHWSQXEVSA-N 349.258 1.653 0 40 EDAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(c2cnccn2)CC1 25344838 IFJPHLJZMXXLMR-ZDUSSCGKSA-N 330.363 1.732 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2F)n(C)c1 25449585 GQMFOZHSZORABM-SNVBAGLBSA-N 339.392 1.563 0 40 EDAB CNc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 9937846 QYGPNHBRGNMNFR-LBPRGKRZSA-N 341.415 1.776 0 40 EDAB CCSCC[C@@H](C)N(C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 72901057 ZINYXDVUZJVLIW-CABCVRRESA-N 343.537 1.967 0 40 EDAB CCN(CC)C(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 57486015 CEZZOLKLGLOZKW-UHFFFAOYSA-N 337.445 1.749 0 40 EDAB CCc1ccccc1CNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 108457507 QHEYZWGJIWDJTD-LBTBCDHLSA-N 338.407 1.672 0 40 EDAB CN(C(=O)CNc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 57717553 FFDOJZIRGWWPIM-SNVBAGLBSA-N 348.371 1.345 0 40 EDAB CC(C)[C@@H](C)N(C)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 27180726 DGBMTEOUPRZIDW-NWDGAFQWSA-N 337.445 1.617 0 40 EDAB CN(CC(=O)Nc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 58018760 UCAAREHDYPJFFS-SNVBAGLBSA-N 329.422 1.030 0 40 EDAB CC[C@@H](CNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 58160968 YVPZAIONENZLIO-GOEBONIOSA-N 338.473 1.415 0 40 EDAB CC[C@@](C)(O)CNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 58174374 HVNPYFSXDLDNGW-CQSZACIVSA-N 329.422 1.219 0 40 EDAB CNC(=O)C1CCN(C(=O)/C=C/c2c(Cl)nc3ccccn23)CC1 44896821 LJKBHGWQEVSIHW-AATRIKPKSA-N 346.818 1.986 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)N[C@@H](C)C(C)C)c1 58209045 GNCLIYPCLQKBBJ-LBPRGKRZSA-N 327.450 1.580 0 40 EDAB CCOC(=O)CN(Cc1ccccc1)C(=O)CCNC(=O)[C@@H]1C[C@@H]1C 58214351 RDECESWPDQBIEI-GOEBONIOSA-N 346.427 1.741 0 40 EDAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(O)nn1 27760020 AAXUOAADMNTHOO-GFCCVEGCSA-N 334.401 1.047 0 40 EDAB CS(=O)(=O)c1ccc([C@@H](O)CNCc2ccc3c(c2)OCO3)cc1 44974131 XURLWEFIASVMBT-HNNXBMFYSA-N 349.408 1.642 0 40 EDAB O[C@H](CN1CCN(Cc2ccccn2)CC1)c1ccc2c(c1)OCO2 44974713 IWSGIYWLVXCEDO-QGZVFWFLSA-N 341.411 1.662 0 40 EDAB CC(=O)N1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 44966504 RIYUZMVOIBFPAA-INIZCTEOSA-N 348.447 1.680 0 40 EDAB 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O=C(CN(C[C@H]1CCCO1)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)N1CCCC1 102707017 QXDMPEBCPUEROQ-MWDXBVQZSA-N 332.444 1.829 0 40 EDAB Cc1ccc(-c2nc(CN3C(=O)C(=O)N(C(C)C)C3=O)no2)cc1 36709039 XLRPENJOJNZTEC-UHFFFAOYSA-N 328.328 1.744 0 40 EDAB CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CCCCC1 29252234 GKCOJSAUGFMZHF-UHFFFAOYSA-N 330.388 1.037 0 40 EDAB CCc1nnc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)s1 3358099 JRMRTDXWFYVVGI-UHFFFAOYSA-N 341.396 1.958 0 40 EDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 45964294 ZGDWNORUEDRRSG-CQSZACIVSA-N 325.386 1.605 0 40 EDAB CC(=O)N[C@H](C(=O)NCc1ccc(-n2nc(C)cc2C)nc1)C(C)C 46309942 RLNRZFSSICZVAX-KRWDZBQOSA-N 343.431 1.661 0 40 EDAB O=C(CN1C(=O)CCOc2ccccc21)NC1CCN(C2CC2)CC1 48341171 GGGXDEJILBXOIY-UHFFFAOYSA-N 343.427 1.545 0 40 EDAB COC(=O)[C@@](NC(=O)C(F)(F)F)(c1cccn1C)C(F)(F)F 2601344 RLSGRZCASNIBRZ-VIFPVBQESA-N 332.200 1.634 0 40 EDAB CN(Cc1ccsc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12934980 GCSFAXCDZZGHQI-UHFFFAOYSA-N 343.408 1.800 0 40 EDAB CN(C(=O)CCc1nc(-c2ccccn2)no1)[C@H](CO)C(C)(C)C 95444647 XSSSCRGZXQCUDJ-CYBMUJFWSA-N 332.404 1.930 0 40 EDAB COC(=O)c1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)cc1 9050615 WGGVIVYYKBOVHS-INIZCTEOSA-N 327.336 1.929 0 40 EDAB COCCNC(=S)N(C)Cc1cc2cccc3c2n(c1=O)CCC3 13693341 GWYBTAAEPIGTFW-UHFFFAOYSA-N 345.468 1.900 0 40 EDAB CCN1C(=O)C(=O)N(CN2CCC[C@H]2c2ccc(OC)cc2)C1=O 14086295 IZMINYYMQFESMU-AWEZNQCLSA-N 331.372 1.600 0 40 EDAB COCCCNC(=O)CN(C)C(=O)[C@@]1(N(C)C)CCc2ccccc21 65564396 MNQQRBPTSQFRSA-LJQANCHMSA-N 347.459 1.001 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CC[C@H](C(N)=O)C1 65515485 WMXNXVLNENTBOE-HVHJFMEUSA-N 338.411 1.836 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 14122726 HFSAUUUBIIXWQP-QGZVFWFLSA-N 327.340 1.994 0 40 EDAB CN1C(=O)C2(Cc3ccccc3N3CCCC[C@H]32)C(=O)N(C)C1=S 6661860 DEDAOYYOXLACII-AWEZNQCLSA-N 343.452 1.803 0 40 EDAB CC(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 5603523 BYPSTXRUPVAODD-UHFFFAOYSA-N 342.417 1.398 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)c1 6848522 UQIMEASCXKPTFK-GFCCVEGCSA-N 349.364 1.503 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(CNCc3cc[nH]n3)cc2)C[C@@H](C)O1 66990589 WYMVMKOXXWDODY-OKILXGFUSA-N 328.416 1.949 0 40 EDAB CSCc1ccc(NC(=O)C(=O)N(C)CC(=O)NC(C)C)cc1 67527350 ITZVJPFKUKBTHA-UHFFFAOYSA-N 337.445 1.471 0 40 EDAB C[C@@H](OC(=O)c1ccccc1O)C(=O)Nc1sccc1C(N)=O 9497768 XZHWCNDRYMYKFC-MRVPVSSYSA-N 334.353 1.737 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1Cl 7912368 PBTWMDAYKRBGAH-SECBINFHSA-N 326.784 1.054 0 40 EDAB O=C(NCC1CCS(=O)(=O)CC1)NC[C@H]1C[C@H]1c1ccccc1 96484959 WVVQHWFCMODSGT-CVEARBPZSA-N 336.457 1.914 0 40 EDAB O=C(CN1CCO[C@@H](Cn2cccn2)C1)N1CCc2sccc2C1 69436615 YPQCSQGFMOGHKN-OAHLLOKOSA-N 346.456 1.230 0 40 EDAB O=C(c1ccnc(-n2cncn2)c1)N1CCCC[C@@H]1Cn1cccn1 71865322 MIUUJPSVOJRJHV-OAHLLOKOSA-N 337.387 1.554 0 40 EDAB Cc1csc([C@H]2CN(CC(=O)Nc3nncs3)CCO2)n1 65478920 DELBWCXNCCTWGX-SECBINFHSA-N 325.419 1.315 0 40 EDAB Cc1csc2nc(CN3CCC[C@@H](N4CCNC4=O)C3)cc(=O)n12 71841155 QSTSSVPRKICWFG-CYBMUJFWSA-N 347.444 1.054 0 40 EDAB C[C@H]1CN(Cc2ccc3c(c2)OCCO3)CCN1Cc1nccn1C 69568493 IWFJHJFVLKVTOA-HNNXBMFYSA-N 342.443 1.898 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)[C@H](C)n3ccnc3)CC2)n1 69512771 NCEJRWHGDAZBLI-AWEZNQCLSA-N 344.419 1.290 0 40 EDAB CN1CCN(C(=O)CC2CCN(C(=O)Nc3ccncc3)CC2)CC1 69696798 JHQPQTPXFCJONO-UHFFFAOYSA-N 345.447 1.490 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)N1CCCc2ccccc21 69629936 QJVXMAAYAALKDL-INIZCTEOSA-N 339.443 1.970 0 40 EDAB C[C@@H]1CCCN(C(=O)CN2C(=O)NC3(CCSCC3)C2=O)C1 69656820 CAVIQDOKZWBEDL-LLVKDONJSA-N 325.434 1.063 0 40 EDAB CN1CCN(C(=O)c2cccnc2-n2cncn2)Cc2ccccc21 69657585 HTYMZYJVBBLNSV-UHFFFAOYSA-N 334.383 1.755 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H](C)S(C)(=O)=O)n1 71865524 RTTQMKRJYGVEJO-ZIAGYGMSSA-N 327.450 1.314 0 40 EDAB Cc1nn(Cc2noc(C(=O)NCc3cccnc3)n2)c(C)c1Cl 21451335 LFGXOIDXEMTXKN-UHFFFAOYSA-N 346.778 1.910 0 40 EDAB Cc1nnc2n1CCN(Cc1ccc(OCc3nccn3C)cc1)C2 69709387 DURLYRDJBHLNOU-UHFFFAOYSA-N 338.415 1.915 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1COC(=O)[C@@H]1CCC(=O)NC1 69946359 WAUIQSWMQQHREE-CHWSQXEVSA-N 340.420 1.845 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 69976781 LYIBIEDIGFYCLI-AWEZNQCLSA-N 337.489 1.285 0 40 EDAB O[C@H](COc1ccccc1)CN1CCN(CCc2ccccn2)CC1 69926664 MUTOLAJCTWGBNS-IBGZPJMESA-N 341.455 1.682 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)NCCCc1ccccc1 69919935 UZKLIDVJPPUGPW-SFHVURJKSA-N 341.459 1.739 0 40 EDAB COc1ccccc1[C@H]1C[C@H]1C(=O)N1CCN(CC(C)(C)O)CC1 69951879 HUARQUJJYNKPAN-HZPDHXFCSA-N 332.444 1.714 0 40 EDAB CN(C)C(=O)COc1cccc(NC(=O)NCCN(C)C2CC2)c1 71902362 CJPJMQUNUCRGIC-UHFFFAOYSA-N 334.420 1.369 0 40 EDAB O=C(CN1CCC[C@H](c2noc(C3CC3)n2)C1)NCc1cccnc1 72299973 UNPACNRKOZVCAY-HNNXBMFYSA-N 341.415 1.838 0 40 EDAB COc1cccc2c1OCC(C(=O)NC1(c3nn[nH]n3)CCCC1)=C2 72288637 ZRJMWHSWCVBCNG-UHFFFAOYSA-N 341.371 1.570 0 40 EDAB COC(=O)CN(CC1CC1)C(=O)[C@H]1CCCN(c2ccccn2)C1 72282657 MYXQBESEHBDNFO-HNNXBMFYSA-N 331.416 1.710 0 40 EDAB O=C(COc1ccc2ccc(=O)oc2c1)N1CC(n2ccnc2)C1 72284343 YIXZGRJNCUBCKS-UHFFFAOYSA-N 325.324 1.452 0 40 EDAB CN(C)CCn1ccc(NC(=O)Nc2ccc(-n3cccn3)nc2)n1 97164642 XYPLVWBREQOAIE-UHFFFAOYSA-N 340.391 1.669 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)NC[C@H]1CCCN1CC 97165416 LTYMBTMHUWYAAW-GFCCVEGCSA-N 328.482 1.308 0 40 EDAB Cc1nccc(N2CCN(C(=O)NC[C@H]3CCN(C4CC4)C3)CC2)n1 97136632 FVZDDZHSWLMQIE-OAHLLOKOSA-N 344.463 1.101 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCCNC(=O)C(C)C 97299704 RJMYRSXKRLIZBQ-XEVNVYFWSA-N 341.477 1.133 0 40 EDAB C[C@@H](NCC1(N(C)C)CCOCC1)c1ccc(S(C)(=O)=O)cc1 95968026 OLZMTMCVVXIXEB-CQSZACIVSA-N 340.489 1.852 0 40 EDAB Cn1nc2n(c1=O)CCN(C(=O)c1ccccc1OC(F)(F)F)C2 95984522 OIXWWAMSFKACAD-UHFFFAOYSA-N 342.277 1.136 0 40 EDAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCN(C)C[C@@H]2C)n1 89626495 JSJNODCMVOCXEW-AWEZNQCLSA-N 328.416 1.965 0 40 EDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(CCOc3ccccc3)C2)C1=O 89914254 BQHHSAJKVJKIGW-KDOFPFPSSA-N 331.416 1.718 0 40 EDAB CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@](C)(O3)[C@@H]2C1=O 408728641 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342.446 1.582 0 40 EDAB O=C1CC[C@]2(C(=O)Nc3nccs3)N=C(O)c3ccccc3N12 40268422 PHKYSUBFBVIGSD-HNNXBMFYSA-N 328.353 1.923 0 40 EDAB CCn1cnnc1C1CCN(C(=O)[C@H]2CC(=O)N(CC3CC3)C2)CC1 69585632 RNMHUGOUVJCQEE-HNNXBMFYSA-N 345.447 1.263 0 40 EDAB CCOc1cccc(S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O)c1 225708228 NCKKEKZTYWQJBA-LLVKDONJSA-N 335.447 1.139 0 40 EDAB O=C(Nc1nc2c(s1)CCC2)[C@@H](c1ccccc1)n1cnnn1 80330185 SGMUZAARIMEMQL-CYBMUJFWSA-N 326.385 1.846 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@H](Cc3cnn(C)c3)C2)C1 80784195 OGHQKYBHKAMEFH-QLFBSQMISA-N 340.493 1.507 0 40 EDAB Cc1ccc2nc([C@H]3CCCN(C(=O)[C@H]4CN(C)CCO4)C3)[nH]c2c1 85517276 DAOOBGKQIXVGRA-WMLDXEAASA-N 342.443 1.908 0 40 EDAB CCOC(=O)C1(C(=O)OCC)C[C@@H]1S(=O)(=O)c1ccccc1 141663313 LTZMZFOOXSUBNC-LBPRGKRZSA-N 326.370 1.345 0 40 EDAB O[C@H](CN1CCC(c2c[nH]c3ncccc23)CC1)Cn1cccn1 96424354 DSVWUJNVJLREJJ-OAHLLOKOSA-N 325.416 2.000 0 40 EDAB Cn1cc(C(=O)NCC2CCN(CCc3ccccn3)CC2)cn1 96414869 XOFQDXLARZSNIJ-UHFFFAOYSA-N 327.432 1.500 0 40 EDAB COC[C@H]1CC2(CCN(S(=O)(=O)c3cccnc3)CC2)CO1 96105799 GVSMPXHCBDLGHM-CYBMUJFWSA-N 326.418 1.288 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(c2ncccn2)C1 96041270 QHFMKEDMOPHSKN-ARFHVFGLSA-N 339.399 1.172 0 40 EDAB O=C(c1ccncn1)N1C[C@@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 96042443 SNAHOLWIQAFJST-OAGGEKHMSA-N 326.356 1.323 0 40 EDAB C[C@H](C(=O)N1CCCN(C2CCOCC2)CC1)N1CCCCCC1 96437090 DZTIYQJGAKMYJT-QGZVFWFLSA-N 337.508 1.964 0 40 EDAB O=C(CN(C[C@H](O)c1ccccc1)C1CC1)NCc1ccccn1 96410365 NQGFOUFGNOEEJB-SFHVURJKSA-N 325.412 1.896 0 40 EDAB Cc1nc(CN2C[C@]3(CCN(c4ccncn4)C3)CC2=O)cs1 96077599 RMNJSDQYAKGPDU-MRXNPFEDSA-N 329.429 1.871 0 40 EDAB Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)o1 96199765 TUMOQOKHRHVDFB-INIZCTEOSA-N 328.416 1.960 0 40 EDAB O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1 97953671 PQTHIZFCXIFCRK-RRFJBIMHSA-N 328.372 1.688 0 40 EDAB Cc1ccc(C(=O)N2CCc3ncc(Cn4cccn4)n3CC2)cn1 96196955 AZAMECUDAJNPMT-UHFFFAOYSA-N 336.399 1.530 0 40 EDAB C[C@@H](Cc1ccccc1Br)NC(=O)CCS(C)(=O)=O 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CN1CCCN([C@H]2CCN(C(=O)c3ccccc3F)CC[C@@H]2O)CC1 257327897 XDFODTMHGYDSFW-ROUUACIJSA-N 349.450 1.429 0 40 EDAB CC(C)c1cc(C(=O)NC[C@]2(O)CCN(c3ccccn3)C2)on1 257295968 RAQIAKBOTVNUBZ-QGZVFWFLSA-N 330.388 1.564 0 40 EDAB O=C(c1ccncc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257228551 FUGMFEDEKBVYLK-OAHLLOKOSA-N 325.359 1.390 0 40 EDAB CNC(=O)[C@H]1CN(Cc2cccc3[nH]ccc23)CCN(C(C)=O)C1 257232985 GNFKSLGJZWVTMI-HNNXBMFYSA-N 328.416 1.194 0 40 EDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)CN(C)Cc1cccnc1 257260048 LBDAIZCNFAPAHT-HNNXBMFYSA-N 329.404 1.145 0 40 EDAB O=C(NCCNS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 585655927 HJUJMDUYFNFPRV-UHFFFAOYSA-N 345.635 1.451 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1S(=O)(=O)c1ccccc1 257329255 XJCGTFWGCMHSEH-HNNXBMFYSA-N 347.440 1.807 0 40 EDAB Cc1cc(CNC(=O)NCc2ccnc(OCC(F)F)c2)n(C)n1 252497995 QTHLPDXPADLOJT-UHFFFAOYSA-N 339.346 1.767 0 40 EDAB O=C(N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O)c1ccc2c(c1)CCCC2 257285617 PHZFKQZZIZSCCC-GUDVDZBRSA-N 344.455 1.519 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCOC[C@@H](Cc3ccncn3)C2)s1 257222320 DSVIFFCQVOKJRT-AWEZNQCLSA-N 346.456 1.810 0 40 EDAB CN(C(=O)c1cn(C)cn1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257320099 VVJYYJMUCBVNBP-BRWVUGGUSA-N 329.400 1.853 0 40 EDAB Cc1ncsc1C(=O)N1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257265045 LXAWOAYAWKTORY-VIFPVBQESA-N 340.430 1.208 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257277118 NWNDZYTXPUBKPW-INIZCTEOSA-N 341.367 1.770 0 40 EDAB O=C(Cc1cccs1)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 257214310 CLNLZLPBCAQDBE-QGZVFWFLSA-N 349.431 1.972 0 40 EDAB O=C(c1cccc2sc(C(F)(F)F)nc12)N1CC(O)(CO)C1 1614646622 SDQSFBPXPSFXLQ-UHFFFAOYSA-N 332.303 1.494 0 40 EDAB CC(C)(C)c1nnc2n1CCN(Cc1ncnn1CC(F)F)C2 1615550431 PYWGZFPIRMMKLF-UHFFFAOYSA-N 325.367 1.448 0 40 EDAB O=C1NCCc2ccc(NS(=O)(=O)CCOc3ccccc3)cc21 96025944 SOUJTTHROKQJPP-UHFFFAOYSA-N 346.408 1.793 0 40 EDAB CCCCS(=O)(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 390833457 HUTMEFGXWGUDTB-GFCCVEGCSA-N 349.836 1.864 0 40 EDAB Cn1cccc1C(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)C3CCC3)C[C@@H]21 575402861 CXFWVRGXKONUQW-IIAWOOMASA-N 331.416 1.028 0 40 EDAB CCCC(=O)N1CC2(CC[C@H](CNC(=O)c3cnccn3)CO2)C1 575404573 OMDVKIALBIYQRL-CYBMUJFWSA-N 332.404 1.014 0 40 EDAB Cc1nccc(N2CCOC[C@@](O)(COc3ccccc3C)C2)n1 585275345 CSFQXVJLXRAXRY-GOSISDBHSA-N 329.400 1.740 0 40 EDAB CO[C@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/c2ccnn2C)C1 585288946 BXSWVUGNXPZSLD-DKFQHHCZSA-N 348.447 1.309 0 40 EDAB Cc1ccc(-n2cc(S(=O)(=O)N(C)Cc3cnn(C)c3)cn2)cc1 71914116 KRWLSMDEYIHXOY-UHFFFAOYSA-N 345.428 1.735 0 40 EDAB O=C(COc1ccc(F)cc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 72268994 WLZUANLYKHXZIG-HUUCEWRRSA-N 340.370 1.401 0 40 EDAB CN(CC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)c1cccs1 56954729 QEQLHPISUDDLMQ-ZDUSSCGKSA-N 348.428 1.834 0 40 EDAB CN1C[C@@H](C(=O)N2CCC(Oc3ncccc3Cl)CC2)CC1=O 96096902 NZRSFBPCYTVINB-NSHDSACASA-N 337.807 1.583 0 40 EDAB Cn1cc(Br)c(C(=O)NC(C)(C)[C@H](O)C(F)(F)F)n1 1615550020 UMPXKUWKJPVNHP-QMMMGPOBSA-N 344.131 1.614 0 40 EDAB C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 5920467 VBTWNIRYJQZFTR-YPMHNXCESA-N 346.408 1.679 0 40 EDAB O=C(N1CCCC1)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCCNC1 12366010 NGSVPKRRRKJYQU-RDTXWAMCSA-N 333.432 1.713 0 40 EDAB CCCCCn1c(NCCCOCC)nc2c1c(=O)[nH]c(=O)n2C 12647918 BJQVKGKFPHENLU-UHFFFAOYSA-N 337.424 1.452 0 40 EDAB COc1ccc2c(cc(C(=O)NCCc3cnccn3)n2C)c1OC 19289699 XKGKOWNKEQIPGX-UHFFFAOYSA-N 340.383 1.958 0 40 EDAB OCC[C@H]1CN2CCC[C@H]2CN1Cc1n[nH]nc1-c1ccccc1 19373949 HIPRWODPTJKNMP-HOTGVXAUSA-N 327.432 1.503 0 40 EDAB O=C(O)CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 4129042 HFAXUZPFXVOFRG-UHFFFAOYSA-N 334.353 1.549 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC(n2c(O)nc3ccccc3c2=O)CC1 238827967 FEXXMBNUJIAFSE-HNNXBMFYSA-N 343.383 1.445 0 40 EDAB O=C(Nc1nnc(-c2ccco2)s1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 579911544 PWLXBUMUSSABIC-NFQPTNBHSA-N 332.385 2.031 0 40 EDAB CN([C@@H]1CCN(c2ncnc3cnccc23)C1)S(=O)(=O)C1CC1 1888856973 DNAUBTJYMXFJGZ-LLVKDONJSA-N 333.417 1.028 0 40 EDAB Cc1cc(CN(C)C2CN(S(=O)(=O)Cc3ccccc3)C2)on1 1888876228 QBBBXAZZNOMSKY-UHFFFAOYSA-N 335.429 1.629 0 40 EDAB CCCc1nnsc1C(=O)NCC1(O)CSCCSC1 1888976933 SONJIFKWVFFZIH-UHFFFAOYSA-N 333.504 1.432 0 40 EDAB Cn1cccc(C(=O)N2CC[C@@H](c3noc(-c4ccco4)n3)C2)c1=O 244970150 HLUSPKSBCPSXHI-LLVKDONJSA-N 340.339 1.658 0 40 EDAB Cc1ncnc(C(=O)N2CC3(C[C@@H](NC4CCC4)CS3)C2)c1C 2056224328 XWDFIVUCTQJPDH-CQSZACIVSA-N 332.473 1.936 0 40 EDAB COCCN1CCC[C@]12CCCN(C(=O)CN(C)C(C)C)CC2 1614928947 SCVSYQRLAZWDGL-SFHVURJKSA-N 325.497 1.820 0 40 EDAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)[C@H]1CCCO1 1565542537 MSHYOPKOUBGPJZ-SJORKVTESA-N 341.411 1.840 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)CN(C)C(C)C)CC2)C1=O 1565545375 GXDYTMOPFGQSML-SFHVURJKSA-N 339.480 1.204 0 40 EDAB Cc1nccn1CCCNC(=O)C(=O)Nc1cccc2ncccc12 4625119 SSJYUOWGXGREDM-UHFFFAOYSA-N 337.383 1.885 0 40 EDAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NC3CC3)cc21 5442205 YRGLTRGRCTXHBD-UHFFFAOYSA-N 329.400 1.839 0 40 EDAB O=C(NCc1ccncc1)c1nnc2n(c1=O)CCN2c1ccccc1 12233628 SLPNLULBQNNHHE-UHFFFAOYSA-N 348.366 1.115 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2sccc2C)C1 2055772344 AOVBKHWHBDQCJZ-INIZCTEOSA-N 332.429 1.631 0 40 EDAB COC(=O)CS[C@@H]1CCN(C(=O)c2cc3ccccc3oc2=O)C1 206696356 XGSCUYAPHLXYBC-GFCCVEGCSA-N 347.392 1.914 0 40 EDAB O=C(Cn1ccc2ccccc21)NCCCc1cnc2ncnn2c1 225644533 SMVOUDBTLNTKIO-UHFFFAOYSA-N 334.383 1.828 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@H](Oc3ccncn3)C2)cc1 575610769 YOXMJXCQQQDJAQ-AWEZNQCLSA-N 349.412 1.717 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)O[C@@H]1CCCCNC1=O 40025139 PKQWAVLIFSHJDN-CYBMUJFWSA-N 329.356 1.706 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(OCC(N)=O)c2)c1C 30988529 XSOHWVVIHLKISC-UHFFFAOYSA-N 345.355 1.535 0 40 EDAB COc1ccc(C(N)=O)c(O[C@@H](C)C(=O)NCCc2ccccc2)c1 31078849 YHTABUFPHQKRDR-ZDUSSCGKSA-N 342.395 1.920 0 40 EDAB NC(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCO3)cc1 40461039 NLIDBJSGQRLSBN-UHFFFAOYSA-N 332.381 1.199 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)Nc4ccccc4)CC3)ncnc21 40486072 TWYINAWJARUYET-UHFFFAOYSA-N 337.387 1.717 0 40 EDAB COc1ccc(-c2cc(CNC(=O)CN3CCN(C)CC3)on2)cc1 20387949 FOCJZAHWPIIASZ-UHFFFAOYSA-N 344.415 1.214 0 40 EDAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1nccs1 31812851 PVZAJBGEMACMGG-NSHDSACASA-N 344.396 1.251 0 40 EDAB O=C(NCCCn1cccn1)[C@@H]1CC(=O)N(c2ccccc2F)C1 40504435 YEXLCOVIVUZEAR-CYBMUJFWSA-N 330.363 1.582 0 40 EDAB C[C@H](CNC(=O)CCc1nc(-c2ccccc2)no1)N1CCOCC1 40509863 WLMMHRUCJCNPAI-CQSZACIVSA-N 344.415 1.506 0 40 EDAB COc1cc(C(=O)N[C@@H]2CCCCNC2=O)cc(Cl)c1OC 40521180 VDYGLCLYCPCTJB-LLVKDONJSA-N 326.780 1.756 0 40 EDAB CCOc1ccccc1N1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 40539596 GGJYIMIUOZJCHT-UHFFFAOYSA-N 341.411 1.746 0 40 EDAB C[C@H]1Cc2cc(C(=O)NC[C@@H]3CCOC3)ccc2N1S(C)(=O)=O 41373312 NNPNEQXPRGSLNW-RYUDHWBXSA-N 338.429 1.164 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCN(c2ccncc2)CC1 47003138 CMPNQBCDRKSKFZ-INIZCTEOSA-N 340.431 1.724 0 40 EDAB O=C(Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)c1csnn1 71900151 NMNUJQMCXXLHKK-UHFFFAOYSA-N 328.353 1.796 0 40 EDAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(C)CC1 78578641 APTLFCFCOQZTSD-UHFFFAOYSA-N 336.388 1.771 0 40 EDAB O=C(NCCN1C(=O)CCC1=O)c1cnc(-c2cccs2)s1 78703000 LXTCQZODKYWWLD-UHFFFAOYSA-N 335.410 1.750 0 40 EDAB Cc1nc(COc2cccc(C(=O)NS(C)(=O)=O)c2)cs1 42279488 RFTBFAOROSCZQL-UHFFFAOYSA-N 326.399 1.720 0 40 EDAB CN(C)[C@H](CNC(=O)c1cccc(C(N)=O)c1)c1cccc(F)c1 23081696 CRQJWQMLSYDZKV-MRXNPFEDSA-N 329.375 1.957 0 40 EDAB CCOC(=O)N1CCC(NS(=O)(=O)N2CCC(C)CC2)CC1 23018063 SCFABGKVUCDCHC-UHFFFAOYSA-N 333.454 1.174 0 40 EDAB CCOC(=O)c1cnc(SCC(=O)Nc2cccc(O)c2)nc1N 4161121 FOFFUMCODAMXRW-UHFFFAOYSA-N 348.384 1.672 0 40 EDAB C[C@H](C(=O)O)n1ccc2cc(C=C3C(=O)NC(=S)NC3=O)ccc21 6958102 VSLPMMWKJOZTRF-MRVPVSSYSA-N 343.364 1.201 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8077333 JXBOEQMCTNQKMU-LLVKDONJSA-N 326.393 1.505 0 40 EDAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1n[nH]c(=O)[nH]c1=O 8578888 NCVQSAHEYFICTM-GARJFASQSA-N 341.433 1.554 0 40 EDAB CCCn1nc(C(=O)N2CCN(c3cccc(C)c3)CC2)ccc1=O 24242780 CEOQUTISEBQGFJ-UHFFFAOYSA-N 340.427 1.924 0 40 EDAB NS(=O)(=O)c1cc(F)cc(NC(=S)NCc2ccccc2)c1 54988299 UROZJXNWSKJFLE-UHFFFAOYSA-N 339.417 1.960 0 40 EDAB Cc1cc(NC(=O)c2cnc3n(c2=O)CCS3)ccc1N(C)C 24645176 NXUMBZZBXAEBHX-UHFFFAOYSA-N 330.413 1.976 0 40 EDAB Cc1cccc(N2CCN(CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)c1 12527536 AUZJABHZXDAZDW-LJQANCHMSA-N 342.443 1.795 0 40 EDAB O=C1C[C@@H](c2ccc(Cl)cc2)N2N=C(NC(=O)C3CC3)NC2=N1 1271213 TZCIOOWERKTBCF-NSHDSACASA-N 331.763 1.370 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cccn3)nc2)c1 12539852 SCGYHYORUPNSMO-UHFFFAOYSA-N 342.380 1.923 0 40 EDAB COc1ccccc1Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 24849827 DQWOGCVNRQONNV-UHFFFAOYSA-N 348.424 1.690 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)NOCc2ccccc2)CC1 25284092 PPWYPBRAVPIECL-UHFFFAOYSA-N 326.418 1.296 0 40 EDAB CCOC(=O)N1CCC(NC(=O)Cn2c(=O)oc3ccccc32)CC1 9688405 CDSHHRVBAVJFNZ-UHFFFAOYSA-N 347.371 1.332 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@H](CO)OC[C@H]2C)c2cccnc12 107528481 KIAKAJUSEHBKER-CHWSQXEVSA-N 336.413 1.314 0 40 EDAB CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@@H](CN)C1 108360258 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C[C@H]1CN(C(C)(C)CNC(=O)c2cccc(C(N)=O)c2)C[C@@H](C)O1 48332664 BGQKRUOGNBFLMB-BETUJISGSA-N 333.432 1.403 0 40 EDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cccnc1)c1ccc(F)cc1 10020063 VUAXBJMOGJMFJI-HNNXBMFYSA-N 330.363 1.578 0 40 EDAB CNC(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10369869 GIVBYKYCAPSNQY-UHFFFAOYSA-N 334.825 1.641 0 40 EDAB COc1cccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 2595050 JMCASCJAGVKZSO-UHFFFAOYSA-N 342.380 1.992 0 40 EDAB COc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H](C)C(C)C)cc1 2652929 UAUSSTOOFCHLNX-GFCCVEGCSA-N 336.388 1.129 0 40 EDAB Cc1cccc(NC(=O)CN2NS(=O)(=O)c3ccccc3C2=O)c1 3413711 JWUISWHCMPDOFV-UHFFFAOYSA-N 345.380 1.283 0 40 EDAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCc2ccccc21 3430173 OTSMRQXMAGEIEC-GFCCVEGCSA-N 345.424 1.724 0 40 EDAB O=C(COC(=O)c1ccccc1O)NC(=O)NCc1ccccc1 3512540 CUIRWOMIPHHQBF-UHFFFAOYSA-N 328.324 1.575 0 40 EDAB COCCCNC(=O)CCCN(C)S(=O)(=O)c1cccs1 22688452 DTTVUJQNNCAWNN-UHFFFAOYSA-N 334.463 1.302 0 40 EDAB CCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C 9264965 CUMMHBKFPSSLCO-UHFFFAOYSA-N 345.472 1.818 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)C 6111600 AOIXIUWRPFVWIQ-UHFFFAOYSA-N 339.461 1.670 0 40 EDAB CC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 5170727 OUMMXMRQYGWJON-ZDUSSCGKSA-N 345.804 1.625 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)N[C@H](C)Cn1ccnc1)N(C)C 65404015 YMIVQUWDHXEIOS-GDBMZVCRSA-N 345.447 1.882 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCc2nccn2C1 65465728 XQMLCOGHQHNVQB-LBPRGKRZSA-N 333.413 1.422 0 40 EDAB CCCNC(=O)[C@H](C)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 65476168 QEFQQRSJGPONGS-AWEZNQCLSA-N 342.443 1.840 0 40 EDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCCN(c2nccs2)CC1 65462263 IVWWIOBHNWGFNH-GFCCVEGCSA-N 334.445 1.193 0 40 EDAB O=C1COc2cc(NC(=O)N[C@H]3CCCNC3=O)c(Cl)cc2N1 65589605 ILMPIKSLNGJQRR-QMMMGPOBSA-N 338.751 1.071 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1 65528739 UCGDZMYWEBQZGM-AWEZNQCLSA-N 349.412 1.059 0 40 EDAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NCCCO 5323991 LXBHUWTVMVISJW-LBPRGKRZSA-N 345.395 1.938 0 40 EDAB COc1cccc2cc(C(=O)OCCN3CCOCC3)c(=O)oc12 19620010 PTAIMRJFDBOBJM-UHFFFAOYSA-N 333.340 1.291 0 40 EDAB C[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 14361552 DMQOPCLCOLGWJA-NWANDNLSSA-N 343.379 1.976 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)c1cccc(Cl)c1 14408873 LAXBKZZLZROQJA-SECBINFHSA-N 335.791 1.835 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)C3CC3)C2=O)cc1 7277799 SPQQWZHBXURROW-BBATYDOGSA-N 345.399 1.377 0 40 EDAB Nc1cc(N)nc(SCC(=O)Nc2ccc(N3CCCC3)cc2)n1 7203099 PYIUHTWUZWUWCD-UHFFFAOYSA-N 344.444 1.972 0 40 EDAB CCc1ccc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)o1 67728067 PBZFVCRUFNCQQX-UHFFFAOYSA-N 344.415 1.858 0 40 EDAB c1ccc(Cn2cccn2)c(CN2CCO[C@@]3(CNCCOC3)C2)c1 72157867 BHLMHVRJXVDVPF-IBGZPJMESA-N 342.443 1.122 0 40 EDAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)cc2F)n1 15879387 DOQQHQHETSRECD-UHFFFAOYSA-N 328.756 1.875 0 40 EDAB CCN1C[C@@H](C(=O)N(C)Cc2nc3ccccc3n2CC)CC1=O 68005836 PIBQQWKKGDTAFZ-ZDUSSCGKSA-N 328.416 1.883 0 40 EDAB CC(C)(C)c1nnnn1CC(=O)NC(=O)NCCc1cccs1 68183958 FLSCDVWOFZJWFH-UHFFFAOYSA-N 336.421 1.101 0 40 EDAB CC(=O)Oc1c(C)cc([C@@]2(C(F)(F)F)NCCNC2=O)cc1C 22078203 PQSDLRDSOLXPGH-CQSZACIVSA-N 330.306 1.706 0 40 EDAB O=C(C1CCN(c2cnccn2)CC1)N1CCC[C@H]1Cn1cccn1 70040812 VMNSFXVYYPFPKL-INIZCTEOSA-N 340.431 1.581 0 40 EDAB CCC[C@H](C)N1C[C@H](C(=O)NCc2cccc(NC(N)=O)c2)CC1=O 69460647 FRPNLFHYCYUQLC-GXTWGEPZSA-N 346.431 1.831 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCc2ccsc2)CC1 69562237 UJRNGVPZUXCNGL-OAHLLOKOSA-N 335.473 1.621 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)NC(=O)NCc1cccs1 8537379 XVLMIGDHCYBIBN-UHFFFAOYSA-N 343.364 1.370 0 40 EDAB CN1N=C(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)CCC1=O 69845181 ABTCPSPJVOJXNG-UHFFFAOYSA-N 344.346 1.748 0 40 EDAB COCc1cccc(NC(=O)C(=O)NCc2ccccc2CO)c1 69968706 VWUJQDNBHGKBJK-UHFFFAOYSA-N 328.368 1.580 0 40 EDAB CCCCN1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 69982801 UTDCAPQIQLTTNQ-UHFFFAOYSA-N 339.505 1.691 0 40 EDAB O[C@@H](CN[C@@H]1CCCN(c2cccnn2)C1)COCc1ccco1 69930025 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O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@H]1CCc2nccn2C1 97197504 GUQPNQDFUFOPBY-GJZGRUSLSA-N 338.411 1.905 0 40 EDAB CN(C)C(=O)NCCN(C)C(=O)Cc1ccccc1C(F)(F)F 95456693 XPIJKWYIFKZSLB-UHFFFAOYSA-N 331.338 1.978 0 40 EDAB O=S1(=O)CC[C@@H](N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 95428404 QUFYISAQHKUJGO-GFCCVEGCSA-N 349.378 1.410 0 40 EDAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)S(C)(=O)=O)c1C 95407401 XIXNGUVXYPPVEA-AWEZNQCLSA-N 340.445 1.683 0 40 EDAB CNC(=O)c1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 95439077 TULOJMIUDZIJBD-QGZVFWFLSA-N 340.423 1.844 0 40 EDAB CCc1noc(CC)c1CNC(=O)N1CCc2nn(C)c(=O)cc2C1 88631040 VCZCOBWYROTQLE-UHFFFAOYSA-N 345.403 1.161 0 40 EDAB Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCN(C(N)=O)C1 95995211 BKJGVBOAAZUCEJ-GFCCVEGCSA-N 340.221 1.569 0 40 EDAB NC(=O)C1(NC(=O)Nc2ccccc2I)CC1 95942358 MDFNOYJFNAKPJG-UHFFFAOYSA-N 345.140 1.431 0 40 EDAB c1cc(N2CCCC2)nc(N2CCC[C@@H](CN3CCOCC3)C2)n1 95961981 KFNRLSGGURAJKK-INIZCTEOSA-N 331.464 1.625 0 40 EDAB Cc1noc(C)c1C(=O)N1C[C@]2(F)CN(CC3CC3)C(=O)[C@]2(F)C1 306124163 BHZYMPZEWNWCBI-HZPDHXFCSA-N 339.342 1.416 0 40 EDAB O=C(NCc1nccs1)[C@@H]1COCC(=O)N1Cc1ccccc1 89834828 DOIFSZRTUZHXQZ-ZDUSSCGKSA-N 331.397 1.187 0 40 EDAB COc1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc(OC)c1C 75606488 IVQGWIKNSIMKSM-JKSUJKDBSA-N 348.443 1.683 0 40 EDAB CC(C)CC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccn1C 306125094 CGWAMNLYXHBOGY-HNNXBMFYSA-N 347.459 1.809 0 40 EDAB CCOc1ncccc1C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C 68111951 JIWZZGZDVRTKGI-LBPRGKRZSA-N 337.445 1.910 0 40 EDAB Cc1cc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)ccc1O 62720412 AHESQFDUDJYVIQ-SECBINFHSA-N 341.371 1.225 0 40 EDAB NC(=O)CCc1cccc([C@H]2CCCN(C(=O)C3CCOCC3)C2)n1 72360532 QPZZBKHKEPGODY-HNNXBMFYSA-N 345.443 1.632 0 40 EDAB CN1CCN(c2ncc3c(=O)n(Cc4ccccc4)ccc3n2)CC1 39404009 QMPIXAMXQPZPLX-UHFFFAOYSA-N 335.411 1.592 0 40 EDAB CNCC(=O)N1CCC[C@@H]1c1cc(Nc2nncs2)nc(C)n1 72360929 TUBPCPOSKLAPQJ-LLVKDONJSA-N 333.421 1.263 0 40 EDAB CC(C)CC(=O)N1CCC(Nc2nc3c(cnn3C)c(=O)[nH]2)CC1 78987872 MQNSHBLWGXKXCK-UHFFFAOYSA-N 332.408 1.106 0 40 EDAB CC(=O)N1CC[C@@H](CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 187716256 SAXLHLABWRHJEA-ZFWWWQNUSA-N 338.473 1.951 0 40 EDAB Cc1cccc(NC(=O)C(=O)N(C)CCN(C)C2CCN(C)CC2)c1 188954942 MMMLBPBGSVBHDD-UHFFFAOYSA-N 346.475 1.418 0 40 EDAB Cc1cnn(CCCNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 78988762 RAANOEXSDJOVAH-NSHDSACASA-N 347.341 1.044 0 40 EDAB Cn1nc(CC(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)c2ccccc21 566614183 FURACBNQFKRXTD-AWEZNQCLSA-N 340.387 1.693 0 40 EDAB COc1ccccc1[C@H](CC(C)C)NC(=O)N1C[C@@H](O)C[C@H]1CO 185578371 HGXWIYRMYOJLOW-DZKIICNBSA-N 336.432 1.920 0 40 EDAB CCNC(=O)c1nsc(C(=O)NCc2ccccc2OC)c1N 49006211 BDGSNMDTCYHBDI-UHFFFAOYSA-N 334.401 1.414 0 40 EDAB CCn1nc(C)c(CNC(=O)NCc2cccc(N(C)C)n2)c1C 95437547 KZQLWTTWDXDQAT-UHFFFAOYSA-N 330.436 1.980 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 96486990 XEHSLKREIMIZME-UFBFGSQYSA-N 329.187 1.823 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccs1 96181097 HOBRXRRRTPMWKR-MLGOLLRUSA-N 346.456 1.934 0 40 EDAB O=C(c1c[nH]cn1)N1CC[C@H]2[C@@H](CC1)OCCN2Cc1ccncc1 96249422 UPCWQWBJRPFEDQ-DLBZAZTESA-N 341.415 1.310 0 40 EDAB CCN1CN(C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1=O 230312526 UIOBBAWZKMGQCN-UHFFFAOYSA-N 327.388 1.263 0 40 EDAB CN(C)CC(=O)N1CC[C@H]2OCCC[C@@]2(COCc2ccncc2)C1 96040210 UAEOBIHVOFJEEK-MJGOQNOKSA-N 347.459 1.558 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1COC[C@H]2CN(Cc3nccs3)C[C@@H]12 96038622 DJECTIPYJXQANP-BPLDGKMQSA-N 344.440 1.871 0 40 EDAB O=C(COCC(F)(F)F)NS(=O)(=O)c1cccc2cnccc12 69595648 UBCVEXGQROIISJ-UHFFFAOYSA-N 348.302 1.619 0 40 EDAB O=C1COC2(CCN(c3ccccn3)CC2)CN1Cc1ccccn1 96063141 RXIJWDKICAKKJK-UHFFFAOYSA-N 338.411 1.875 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)NC[C@H](C(=O)O)C1CCOCC1 580182722 BXTYZVOANJCINB-ZDUSSCGKSA-N 345.392 1.540 0 40 EDAB O=C(c1cccnc1)N1CCC2(C1)CN(C(=O)C1CCOCC1)C2 96046478 KAGWQMCMIZVPHU-UHFFFAOYSA-N 329.400 1.183 0 40 EDAB CN(C)C(=O)CO[C@@H]1COC2(CCN(CC3CCOCC3)CC2)C1 96047841 IBJVAZFSPFKAIP-INIZCTEOSA-N 340.464 1.141 0 40 EDAB Cc1cccc(CN2CC[C@@]3(CCN(S(=O)(=O)C4CC4)C3)C2=O)c1 96050604 FTFOJVIHNHNBAG-SFHVURJKSA-N 348.468 1.912 0 40 EDAB CN1CCC[C@@H](N2CCN(CCc3ccc4c(c3)CCO4)CC2)C1 96443357 RVEYYSVOFPUBML-LJQANCHMSA-N 329.488 1.876 0 40 EDAB CCn1cc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2C)ccc1=O 96413513 FVVQRBKRNJQBSI-SJKOYZFVSA-N 339.395 1.856 0 40 EDAB Cc1ncoc1C(=O)N1CCOC[C@H]1c1nccc(N2CCCC2)n1 96220616 DGNOVNNQRAIOEK-ZDUSSCGKSA-N 343.387 1.587 0 40 EDAB O=C(c1ccncc1)N1CCC[C@]2(C[C@H](Oc3ncccn3)CO2)C1 96222629 SJUIOJMAFJHFAO-YJBOKZPZSA-N 340.383 1.714 0 40 EDAB O=C(c1ccno1)N1CCC[C@]2(COCCN(c3ncccn3)C2)C1 96076521 KAGRALJMBFKMDH-KRWDZBQOSA-N 343.387 1.224 0 40 EDAB O=C(NCc1ccco1)C1=NO[C@]2(CCN(CCN3CCCC3)C2)C1 96225884 MMAREJGFNDWQFH-GOSISDBHSA-N 346.431 1.212 0 40 EDAB CCN1CC(=O)NC[C@]12CCN(C(=O)Nc1cccc(OC)c1)C2 96050498 SGKABWSNTDBMLZ-KRWDZBQOSA-N 332.404 1.123 0 40 EDAB CC(C)(C)CN(CCO)C(=O)N[C@H]1CCN(c2ncccc2F)C1 96461861 NRPSMHURAJFSDO-ZDUSSCGKSA-N 338.427 1.849 0 40 EDAB 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O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@H]1O2 252581604 CFFWICGLEKGASO-BRSBDYLESA-N 342.439 1.761 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(-c3ccnn3C)n2)C1 257338717 YYRBUILVJPYQAG-ZDUSSCGKSA-N 349.460 1.468 0 40 EDAB CS(=O)(=O)N1CCC(N2CCC[C@H](Cc3cccnc3)C2)CC1 257265027 LWZDBNYGPAQRPN-MRXNPFEDSA-N 337.489 1.760 0 40 EDAB CN1c2ccccc2O[C@@H]2CC[C@@H](NC(=O)c3cccnc3)[C@@H](O)[C@@H]21 257343281 ZSGMZNQQHRNEIQ-BNEJOLLZSA-N 339.395 1.601 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(Cc2ccncc2)C1 257269859 MRRMXYUZTLLHIO-CQSZACIVSA-N 334.445 1.663 0 40 EDAB CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)O)cs1 263121264 XCSZBOJXZVJASG-PEXQALLHSA-N 343.426 1.477 0 40 EDAB CC(C)[C@@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)CCO1 271722855 UEGDLQNNKFKNCG-DOMZBBRYSA-N 341.429 1.940 0 40 EDAB Cc1cccc(F)c1NC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 274129986 OXFGYHWLNMZMBU-QFYYESIMSA-N 334.351 1.634 0 40 EDAB COC(=O)C1(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)CC2(CCC2)C1 597609660 JJFFAQOKVCMMRG-LLVKDONJSA-N 349.387 1.605 0 40 EDAB CCn1cc(-c2noc(CNC(=O)c3ccc4nc[nH]c4c3)n2)cn1 390829475 DZQPCQHISCLNQD-UHFFFAOYSA-N 337.343 1.759 0 40 EDAB Cc1c(CN2Cc3ccnn3CC[C@H]2CN2CCCC2)cnn1C 585096738 BRVZXMSUDVOBBL-KRWDZBQOSA-N 328.464 1.795 0 40 EDAB c1cncc(CN2Cc3ccnn3CC[C@H]2COc2cnccn2)c1 585097620 NWTGUXCDQVQUIL-KRWDZBQOSA-N 336.399 1.922 0 40 EDAB CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1ccc2c(c1)OCCCO2 677960948 VBPFXFBMURNPJZ-KBPBESRZSA-N 347.415 1.562 0 40 EDAB C[C@@H]1CN(C(=O)COCC2CC2)[C@H](C)CN1C(=O)COCC1CC1 71921219 GGOHPRIMWOXSPP-ZIAGYGMSSA-N 338.448 1.287 0 40 EDAB COc1ccc(CCC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1F 44722352 VWAFEBPOMGEZFH-LBPRGKRZSA-N 329.393 1.318 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 45074899 KHROFYWTFLWPFX-NVXWUHKLSA-N 334.391 1.984 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Nc1cccc(CN2CCCCC2=O)c1 51164989 DUYBDYCCGPOBSP-LBPRGKRZSA-N 332.404 1.455 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)c3cc(F)cc4[nH]cnc34)CC2)S1 73118363 DSLZADHEQWWZOJ-SNVBAGLBSA-N 347.419 1.951 0 40 EDAB CCc1nc(CN(C(C)=O)[C@@H]2CCN(CCc3cnn(C)c3)C2)no1 83830431 GJGOAQXQRIZJCC-OAHLLOKOSA-N 346.435 1.031 0 40 EDAB CCC(=O)N1CC[C@H](N[C@@H]2CCCN(c3cnn(C)c3)C2=O)[C@@H](C)C1 76056288 NPRCUALKYXEVNT-CWRNSKLLSA-N 347.463 1.152 0 40 EDAB CN(Cc1cnnn1C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 92069276 UKEHGUCHRPWORN-GFCCVEGCSA-N 326.809 1.429 0 40 EDAB O=C(NCc1noc2ccccc12)N1CCC(n2cncn2)CC1 1615054927 VLEYUYKLEWISPY-UHFFFAOYSA-N 326.360 1.966 0 40 EDAB C#CCOc1ccc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)cc1 8091436 POOIGYOQEJRVQL-UVTDQMKNSA-N 344.392 1.271 0 40 EDAB C[C@@H]1[C@H]2OC(=O)[C@H]3C(=O)[C@](C)(O)O[C@@H]2[C@H]2CCCC[C@H]2[C@@]1(C)C3=O 1772591635 IYGKPDPKMWLVNZ-LWVRSBBHSA-N 336.384 1.236 0 40 EDAB CC(=O)Nc1ccccc1OCc1cc(=O)n2nc(C)sc2n1 13367788 BQDGPOYQAJQTLB-UHFFFAOYSA-N 330.369 1.997 0 40 EDAB CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1OC 13580917 PVHHZHNJHNQRCT-JTQLQIEISA-N 332.397 1.370 0 40 EDAB CCCCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 16740339 YWDNMAJYNLWDAD-UHFFFAOYSA-N 339.461 1.751 0 40 EDAB CCCNC(=O)CN(C)Cn1nc(-c2ccncc2)n(CC)c1=S 16837737 FZULWNKSXRZTBD-UHFFFAOYSA-N 348.476 1.911 0 40 EDAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(Sc2ncccn2)o1 19575264 MVIJQFAVAILYQB-MGPQQGTHSA-N 346.456 1.860 0 40 EDAB COc1ccc(C(=O)N2CC[C@@H](C(=O)Nc3ccccn3)C2)cn1 19747625 AADWJCPEPUDFJK-CYBMUJFWSA-N 326.356 1.586 0 40 EDAB O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCC[C@H](n2cncn2)C1 153353070 ZDXFVLHAXPAFRK-GJZGRUSLSA-N 341.419 1.299 0 40 EDAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1c(C)nn(C)c1C 225711394 DFRQTJOHWOVWJB-LJQANCHMSA-N 343.427 1.999 0 40 EDAB CCOc1ccc(N2C[C@@H](NC(=O)NC[C@H]3CCCO3)CC2=O)cc1 4373651 SPJWCPFBTSFZJZ-XJKSGUPXSA-N 347.415 1.669 0 40 EDAB CCCN1C(=O)NC2(CCN(C(=O)c3cccc(F)c3)CC2)C1=O 17271863 RDZRZCFJUXUFNZ-UHFFFAOYSA-N 333.363 1.762 0 40 EDAB O=C(NC[C@H](Oc1ccc(Br)cc1)C(=O)O)C1CC1 567971501 HPNIYDRLDIJBSM-NSHDSACASA-N 328.162 1.807 0 40 EDAB CCc1ncnc(N2CCN(c3nc(C)cc(N(C)C)n3)CC2)c1F 1888843047 LJQANBPOMDUFLM-UHFFFAOYSA-N 345.426 1.669 0 40 EDAB Cc1cc(C(F)(F)F)nc(N2CCN(Cc3nnc(C)o3)CC2)n1 1888856956 AIPNKHDNLOMDQX-UHFFFAOYSA-N 342.325 1.817 0 40 EDAB Cc1nnc(N2CC(NS(=O)(=O)c3cc(F)cc(F)c3)C2)s1 1888869839 JTAFMLGGQUJHSU-UHFFFAOYSA-N 346.384 1.292 0 40 EDAB CCN=c1ccnc(N2CCN(c3ncnc(CC)c3F)CC2)[nH]1 1888909453 OIOCKWRPYMTAQZ-UHFFFAOYSA-N 331.399 1.148 0 40 EDAB Cc1cn2nc(N3CCN(c4ncnc5c4cnn5C)CC3)ccc2n1 1888914116 JYHJIMBTJUUOGS-UHFFFAOYSA-N 349.402 1.041 0 40 EDAB C[C@@H](OC(=O)c1nccnc1N)C(=O)N1CCCc2ccccc21 22610708 AAIUUHKJNNTLQM-LLVKDONJSA-N 326.356 1.584 0 40 EDAB O=C(C1CC1)N1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1 24445181 QKYZQVBRRSLDMD-UHFFFAOYSA-N 340.420 1.646 0 40 EDAB CCn1cc(Br)c(C(=O)NCCCn2ccnc2)n1 27971359 KJLLMGNLZHATFB-UHFFFAOYSA-N 326.198 1.682 0 40 EDAB O=C(c1cc(-c2ccco2)n[nH]1)N1CC[C@H](N2C(=O)CSC2=O)C1 238817049 BSFOVOHQLATKRF-VIFPVBQESA-N 346.368 1.580 0 40 EDAB COCCCN1CC[C@@H]2CN(C(=O)c3ncnc(C)c3C)C[C@@H]2CC1 2056223529 QHWDYGQBXUBZSN-CALCHBBNSA-N 346.475 1.914 0 40 EDAB O=C(N1CC[C@H]2CN(C3CCOCC3)CCO[C@H]2C1)C1(F)CC1 1565547889 YBAHFNAICPCSIG-ZFWWWQNUSA-N 326.412 1.217 0 40 EDAB CCCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(OC)c3)c2n1 5271215 CQGIHZJISWJAHJ-UHFFFAOYSA-N 341.371 1.559 0 40 EDAB CN(C)C(=O)[C@]1(n2ccnc2)CCCN(C(=O)Cc2cccs2)C1 2055771717 SAKILMDBKUSLLB-KRWDZBQOSA-N 346.456 1.593 0 40 EDAB O=C(Nc1cccnc1)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055714792 RPFMZISVNHEYEO-ZDUSSCGKSA-N 339.399 1.619 0 40 EDAB CC(C)NC(=O)[C@@H]1CCc2c(C(=O)NCc3ccco3)ncn2C1 2055717884 ADYANXKSOYXXFI-GFCCVEGCSA-N 330.388 1.493 0 40 EDAB COCC(=O)N1CCC[C@]2(C[C@@H](N(C)Cc3ccccn3)CO2)C1 2055837446 BUOXKCMOCADKJZ-AEFFLSMTSA-N 333.432 1.310 0 40 EDAB Cc1nc2sc([C@H](c3ccco3)N3CCN(C)CC3)c(O)n2n1 22459029 MICYWOFHCRGNFN-LBPRGKRZSA-N 333.417 1.735 0 40 EDAB O=S(=O)(Cc1ccccc1)NCCn1ccnc1-c1cnccn1 575607348 BNUKAZVDOJNLMS-UHFFFAOYSA-N 343.412 1.460 0 40 EDAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)c1noc2c1CCCC2 575413800 FSWXWQDLCAOFPE-ZDUSSCGKSA-N 344.367 1.788 0 40 EDAB Cc1nc(N(C)CC2CN(c3ncnc4c3CCC4)C2)nc(O)c1F 2298048040 YAMMYLLFQAUCJK-UHFFFAOYSA-N 344.394 1.481 0 40 EDAB CCCN(C(=O)c1cc(O)nc2ccccc12)[C@H]1CCS(=O)(=O)C1 10446965 SMLWRBBXXXBPNR-LBPRGKRZSA-N 348.424 1.980 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1C[C@H](O)c1ccc(Cl)cc1 40490092 OCTBPBTUVQYMMG-FZMZJTMJSA-N 326.805 1.801 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)N1CCCN(C(C)=O)CC1 40475637 LGGVSAWZTUNRIZ-UHFFFAOYSA-N 342.399 1.575 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2csc(C)n2)c1 31646014 VINPKNCFXRVDMX-UHFFFAOYSA-N 341.458 1.692 0 40 EDAB CC[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1OC 40539917 AYLNEUYPMCPKKD-AAEUAGOBSA-N 326.418 1.633 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)[C@H]3CCCO3)ccc21 40501796 OHPSULJDIRSBGH-MEDUHNTESA-N 338.429 1.441 0 40 EDAB CCc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)o1 40522367 FCKPTEVPJXREMV-UHFFFAOYSA-N 328.416 1.919 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCC2CCCCC2)on1 40528522 AEAUQZSVBOWQIM-LBPRGKRZSA-N 328.434 1.983 0 40 EDAB O=C(COC(=O)CN1CSCC1=O)Nc1ccccc1Cl 32945477 ZFPCOWZQYOXMIV-UHFFFAOYSA-N 328.777 1.355 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 47028441 LCUXQPGGDDVSMX-UONOGXRCSA-N 329.408 1.030 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N(C)c3cnn(C)c3)ccc21 78050469 XGSCHCLAYLNNKV-UHFFFAOYSA-N 334.401 1.154 0 40 EDAB CC(C)(C)c1nnc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)o1 78900521 FQTKSCFJHGPDJF-JTQLQIEISA-N 332.408 1.569 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCc2cccc(F)c2)[C@H]1c1cnn(C)c1 79359236 XECANHAETOJLQZ-NVXWUHKLSA-N 344.390 1.785 0 40 EDAB Cc1occc1C(=O)NCC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 54078482 GJTDLOIWZBQZSM-AWEZNQCLSA-N 347.415 1.083 0 40 EDAB Cc1ccc(-n2nnnc2N2CCC(C(=O)N3CCCC3)CC2)cc1 54055718 VZIQZOVMGXRHSV-UHFFFAOYSA-N 340.431 1.810 0 40 EDAB CN(CCNC(=O)c1ccnc(-n2cncn2)c1)Cc1ccccc1 54281660 MXPPKIJQRDDLDU-UHFFFAOYSA-N 336.399 1.524 0 40 EDAB NS(=O)(=O)c1ccc(NC(=S)NNCc2ccccc2)cc1 6756962 UARNUJHXWARGGW-UHFFFAOYSA-N 336.442 1.325 0 40 EDAB CCN1CCN([C@H](C)CNS(=O)(=O)c2cccc(F)c2F)CC1 97166148 GUTUUDLJXLNGMV-GFCCVEGCSA-N 347.431 1.269 0 40 EDAB CC(C)(CNC(=O)CCNC(=O)Nc1ccccc1)N1CCOCC1 23624254 KCDFYOBYFLXAFS-UHFFFAOYSA-N 348.447 1.425 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 23886199 ZFXXDBMLPBWWTA-UZZMVUAXSA-N 340.489 1.886 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 54830390 JYMLVLMAXXDTFA-LLVKDONJSA-N 330.381 1.725 0 40 EDAB O=C(Nc1c[nH]ccc1=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 47929241 KBHBGFVZOJSNMQ-CQSZACIVSA-N 337.379 1.855 0 40 EDAB COc1ccc(C)cc1N1C(=O)C[C@@H](N2CCC(C(=O)O)CC2)C1=O 9926554 DZFIYXOVJPMXON-CQSZACIVSA-N 346.383 1.432 0 40 EDAB CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(OCCOC)cc1 48251772 NDIRNBNXLSKCJJ-AWEZNQCLSA-N 342.461 1.474 0 40 EDAB CN(C)[C@@H](CNCc1nnnn1Cc1ccccc1)c1ccco1 48250991 KDYLSCTZQLVWGQ-HNNXBMFYSA-N 326.404 1.707 0 40 EDAB CC(C)OC(=O)CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 58168059 OJDGXAWGXSKMAW-QGZVFWFLSA-N 330.428 1.987 0 40 EDAB Cc1cccn2cc(CN3CCN([C@@H](C)C(=O)NC4CC4)CC3)nc12 48230249 UIBVARYVYVUIHU-HNNXBMFYSA-N 341.459 1.427 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 95395472 MBAIILPSKWORDK-KOLCDFICSA-N 333.310 1.673 0 40 EDAB COCCOCCNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 58291599 STTVEZDIXDRORY-UHFFFAOYSA-N 341.351 1.955 0 40 EDAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C[C@@H]1CCCO1 58226485 PZBANVHUWCOMEN-LBPRGKRZSA-N 341.358 1.130 0 40 EDAB Cc1ccc(C2=CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)cc1 44971778 UYKWWTFDGCJTGN-UHFFFAOYSA-N 348.468 1.341 0 40 EDAB O=C(NCCCn1ccnc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 44998328 MGBHMMNNZLDWTO-CYBMUJFWSA-N 330.363 1.582 0 40 EDAB COCCOCCC(=O)NC1CCN(c2cccc(OC)c2)CC1 58304702 OVCNUHCUKKPADL-UHFFFAOYSA-N 336.432 1.833 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)NCC(=O)Nc1ccc(F)cc1 58341301 NPSIXTMQBBZPMI-CQSZACIVSA-N 345.378 1.875 0 40 EDAB COC(=O)c1ccc(C)c(S(=O)(=O)NCC[C@H]2CCCO2)c1 58316111 TWIBROWBVPHFNJ-CYBMUJFWSA-N 327.402 1.629 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CCC(C)CC1 23713075 CIDPACKAHSJZSE-UHFFFAOYSA-N 326.418 1.651 0 40 EDAB O=C(c1ccc(Cn2cncn2)cc1)N1CCN(c2ncccn2)CC1 11605036 QNIKQCJNEMFCQB-UHFFFAOYSA-N 349.398 1.079 0 40 EDAB CCc1nnc(NC(=O)CSc2nnnn2C2CCCC2)s1 2586507 HWXRZYDUDKEIMR-UHFFFAOYSA-N 339.450 1.933 0 40 EDAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nncn2N)c(C)c1 29575774 VRDDWODXUWUWTB-JTQLQIEISA-N 334.405 1.438 0 40 EDAB O=C(COC(=O)C1C2CC3CC(C2)CC1C3)N[C@H]1CCCCNC1=O 46229930 DPEYOHZHDDMHJG-RWUOKQAASA-N 348.443 1.387 0 40 EDAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ncccn2)CC1 12996335 UERZTDPJLGEART-UHFFFAOYSA-N 335.367 1.281 0 40 EDAB Cc1c([C@H](C)NC(=O)NCc2cccc(C(=O)N(C)C)c2)cnn1C 49274225 TTXDRBTWYCTNSH-LBPRGKRZSA-N 343.431 1.991 0 40 EDAB CCCN(C)C(=O)[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(C)C 63678540 LMOPBPUEJVFHGE-HNNXBMFYSA-N 342.461 1.867 0 40 EDAB C[C@H](CCc1ccccc1F)C(=O)N1CCCN(CC(N)=O)CC1 72302860 ALRNBWLIVSHQOW-CQSZACIVSA-N 335.423 1.414 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@@H](C)CO)CCCC2)c1 97204303 FZJVDYDOIPTULY-AWEZNQCLSA-N 339.457 1.887 0 40 EDAB CNC(=O)c1ccc(CN(C)c2ncnc3c2CN(C)CC3)cc1 97204020 VMKHKRRMZUBAAX-UHFFFAOYSA-N 325.416 1.461 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CCNC1 71310300 NSKIZDDNFKKORA-NSHDSACASA-N 333.251 1.740 0 40 EDAB CN(C)[C@H](CNC(=O)CN1Cc2ccccc2C1)c1cnn(C)c1 84317382 JQXMIJRXPWEMRR-QGZVFWFLSA-N 327.432 1.155 0 40 EDAB C[C@H](CC(=O)N(C)C)NCC(=O)Nc1ccc(Br)cc1 95421095 GPLYIHBRPPZMIV-SNVBAGLBSA-N 342.237 1.844 0 40 EDAB CCCCS(=O)(=O)N1CCC(C(=O)N2CCOCC2(C)C)CC1 64812080 GRBFPOULOXXQBI-UHFFFAOYSA-N 346.493 1.466 0 40 EDAB COc1ccc(NC(=O)CCN2CCC(n3ccnn3)CC2)cc1 97371888 KFLZRGZVFYOQED-UHFFFAOYSA-N 329.404 1.952 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(Cc2cccc(-c3cccnc3)c2)C1 93531030 UQEFVXOOTPAOJF-KRWDZBQOSA-N 331.441 1.872 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 65423867 PWEAJQUOUACIEE-QWHCGFSZSA-N 343.449 1.324 0 40 EDAB COC[C@]1(C)NC(=O)N(Cc2ccc(Br)cc2)C1=O 65518737 XGIPAEHOFAWJJZ-ZDUSSCGKSA-N 327.178 1.906 0 40 EDAB CCNC(=O)Cc1ccc(NC(=O)[C@H](C(C)C)N2CCCC2=O)cc1 65588283 OKGKTAHYJOSIGM-SFHVURJKSA-N 345.443 1.951 0 40 EDAB O=C(O)C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCCC2)C1=O 19768221 ZSQBONDRQIOAKN-AWEZNQCLSA-N 332.356 1.268 0 40 EDAB CSCC[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)O 5489441 KJJDXNYKLJGMGB-NSHDSACASA-N 334.401 1.772 0 40 EDAB O=C(c1cnc2ccccn2c1=O)N1CCN(Cc2ccccc2)CC1 14898550 QVFIICJQUGNGRV-UHFFFAOYSA-N 348.406 1.653 0 40 EDAB O=C(CNCCCN1CCCC1=O)NC12CC3CC(CC(C3)C1)C2 6840673 OAEPXHSCPUSENJ-UHFFFAOYSA-N 333.476 1.674 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)CCNC(=O)c1ccccc1Cl 6985323 LBCKVDVMHNFWPW-UHFFFAOYSA-N 339.823 1.491 0 40 EDAB CCN(CC)CCN[C@@H](CC(=O)Nc1cccc(OC)c1)C(=O)O 23473232 DCPBLPLZKVIYFA-HNNXBMFYSA-N 337.420 1.408 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)COc2ccc(C(N)=O)cc2)cn1 71796604 LJGCIKGMORCMGA-OAHLLOKOSA-N 328.372 1.262 0 40 EDAB Cc1cc(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)no1 96436217 QQXFAZSZQYFWMO-QGZVFWFLSA-N 329.400 1.890 0 40 EDAB CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCSC2=O)c1 7949795 RPIIDYUOMOATKP-UHFFFAOYSA-N 343.430 1.044 0 40 EDAB C[C@H](Cc1ccccc1F)NC(=O)NCC(C)(C)NS(C)(=O)=O 69082264 JBXITFUXVAMRJD-LLVKDONJSA-N 345.440 1.384 0 40 EDAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)NC[C@H]1CCCO1 8265553 ZCXZEOOQJIWMRI-ZYHUDNBSSA-N 325.438 1.564 0 40 EDAB O=S(=O)(NC1CCN(CCc2ccccc2)CC1)N1CCCC1 71856538 QUGDUPQDQBMSJG-UHFFFAOYSA-N 337.489 1.624 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@@H]1Cn1cc(C)cn1 70036632 YMWXKDQDCUUQRG-OAHLLOKOSA-N 344.415 1.917 0 40 EDAB CC(C)c1nccn1[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 70038214 GOLHLMMCCQLKRX-KGLIPLIRSA-N 339.461 1.605 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2sccc2Br)C[C@H](C)N1 70076824 MSIHTURKEDWQCH-YUMQZZPRSA-N 339.280 1.882 0 40 EDAB Cc1ccc(-n2cc(C(=O)N3CCN4CCCC[C@H]4C3)nn2)cc1 71839773 APQBAUHHZSRIIU-INIZCTEOSA-N 325.416 1.886 0 40 EDAB Cc1noc(CCNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)n1 71847142 TZQCKNGGXFVACB-LBPRGKRZSA-N 338.433 1.128 0 40 EDAB CCOc1cc(C)ccc1NC(=O)NC1CCN(CC(=O)NC)CC1 71808646 APUUOYYGYGOREE-UHFFFAOYSA-N 348.447 1.726 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](NCC(=O)Nc1ccc(Cl)cn1)CC2 71871797 UPBNDFLKXAUTKZ-GFCCVEGCSA-N 348.838 1.993 0 40 EDAB COC(=O)N1CCC[C@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)C1 69488444 LFFIWAQXKLIYPK-LBPRGKRZSA-N 330.388 2.000 0 40 EDAB CCOc1ccc(/C=C/C(=O)N2CCCN(CC(N)=O)CC2)cc1 69443954 BQLKMBBYURCZKH-RMKNXTFCSA-N 331.416 1.118 0 40 EDAB OCCN1CCC(CNCc2c(Cl)nc3sccn23)CC1 69415290 KFOIWROOFDCSMK-UHFFFAOYSA-N 328.869 1.843 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(Cc3cccnc3)CC2)cn1 71841315 OXEOMRVJTYRCSJ-SJORKVTESA-N 325.416 1.263 0 40 EDAB C[C@H](Sc1ccccn1)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 84976927 DNSNAZVKZQRRQS-HOTGVXAUSA-N 348.516 1.801 0 40 EDAB CCn1cc(CN2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)cn1 69591538 JNIBTMDHBCGGQU-UHFFFAOYSA-N 342.447 1.463 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NCC[S@@](=O)Cc2ccccc2)C1 69658003 AJCXXXXICVOJPJ-SZNDQCEHSA-N 344.502 1.502 0 40 EDAB CCCCn1nnnc1CN1CCN(C[C@H](O)c2ccccc2)CC1 69738584 MTQSGBIHFLFTRH-KRWDZBQOSA-N 344.463 1.324 0 40 EDAB Cn1ncc2c(NC[C@@H](Cc3ccc(F)cc3)C(N)=O)ncnc21 69705175 OHJAPYAQMBTBJD-LLVKDONJSA-N 328.351 1.259 0 40 EDAB C[C@H]1Cc2cc(C(=O)NCCc3ccco3)ccc2N1S(C)(=O)=O 17910265 RQASDNPNOLXGFB-LBPRGKRZSA-N 348.424 1.963 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CCO1 69875894 LNPMTACRNMJSRB-KGLIPLIRSA-N 326.462 1.716 0 40 EDAB C[C@H](Cn1cncn1)NS(=O)(=O)c1ccccc1OC(F)F 69815494 DUSRECRVLKDBMQ-SECBINFHSA-N 332.332 1.247 0 40 EDAB CN(CCCNC(=O)OC(C)(C)C)Cn1nnc2ccccc2c1=O 71920504 KCDWWKBTUREFKZ-UHFFFAOYSA-N 347.419 1.596 0 40 EDAB O=C(CN1CCC[C@@H](N2CCCC2)C1)NCCOc1cccc(F)c1 69946218 DSTVVBZVWZRCMA-QGZVFWFLSA-N 349.450 1.881 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)Nc1cc(C)nn1C 69951201 WXNSVIHRGZXZDS-CABCVRRESA-N 333.436 1.142 0 40 EDAB O=C1[C@H](N2CCCS(=O)(=O)CC2)CCN1c1ccccc1F 71900578 AGGCMYPLGIWYEN-CQSZACIVSA-N 326.393 1.052 0 40 EDAB O=C(CNc1cccc(C(=O)NCCO)c1)Nc1cc(F)ccc1F 71922456 XBELCUVRMFPGMG-UHFFFAOYSA-N 349.337 1.738 0 40 EDAB COc1ccc(CNC(=O)Cn2nc3n(c2=O)CCCCC3)cc1 9691629 UPUYNTXWLZSMHL-UHFFFAOYSA-N 330.388 1.096 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)Nc3cccc4ccccc34)cnc21 8848472 RFKPMFGHPZFJQT-UHFFFAOYSA-N 333.351 1.922 0 40 EDAB CC[C@@H]1C[C@@H](C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CCO1 97059893 WEXXGUYNGKFFCM-YTQUADARSA-N 346.471 1.727 0 40 EDAB NS(=O)(=O)NC[C@H]1CCCN(CCCc2cccc(F)c2)C1 97048454 XNJCIJIIEOAJFZ-CQSZACIVSA-N 329.441 1.263 0 40 EDAB CCNC(=O)N1CCc2ccc(NC(=O)NCC(C)(C)C(N)=O)cc21 72295159 PZXOUJYTTFQXKU-UHFFFAOYSA-N 347.419 1.412 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)Nc1c[nH]ccc1=O 75121622 OMJRWSHXGQUCJL-UHFFFAOYSA-N 337.339 1.010 0 40 EDAB O=C(NC1(C(=O)NCC2CC2)CCCC1)c1nccn2ccnc12 89884735 IILDVXZZZFYZCP-UHFFFAOYSA-N 327.388 1.298 0 40 EDAB C[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccc(F)cc1Cl 76018070 JPVJUSCNMLJAAE-SECBINFHSA-N 334.800 1.980 0 40 EDAB CC(C)CC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccnn1C 306138143 RQKPZCBCFPGKJS-AWEZNQCLSA-N 348.447 1.204 0 40 EDAB CC(C)COC[C@@H](C)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 69935256 CNDNALRTYHGALG-IAGOWNOFSA-N 341.496 1.801 0 40 EDAB CC(C)[C@H](NC(=O)[C@H](C)Oc1ccccc1Br)C(N)=O 78996494 LIKFHQZIVCVALI-CABZTGNLSA-N 343.221 1.843 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@]2(OCCO)CCOC2)cc1Cl 657085390 GJXILQCLGNXBSG-AWEZNQCLSA-N 349.836 1.095 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306128273 GVUWVNVEPASUHC-HNNXBMFYSA-N 340.445 1.427 0 40 EDAB COc1ccc(C(=O)N[C@@H]2C(=O)NN[C@H]2c2ccc(OC)cc2)cc1 409057237 JFDNXFYPCQXACF-HOTGVXAUSA-N 341.367 1.178 0 40 EDAB Cn1c(CN2CCCC2)c(C(=O)c2ccc(F)cc2)c(=O)n(C)c1=O 31813434 WYWNTEBEDGARSU-UHFFFAOYSA-N 345.374 1.050 0 40 EDAB COCC(=O)N1CCC[C@@H](c2cc(Nc3ncccn3)nc(C)n2)C1 72360281 CMPVBRBXRDJNTL-CYBMUJFWSA-N 342.403 1.671 0 40 EDAB CCn1nnc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)n1 32126304 XXOXZNPOYXCCSK-UHFFFAOYSA-N 340.796 1.482 0 40 EDAB CC(C)CNC(=O)NC(=O)CN1CCC[C@H]1Cn1ccnc1C(C)C 71911959 VJLBEHHKJZJGDZ-HNNXBMFYSA-N 349.479 1.953 0 40 EDAB Cc1nccn1-c1cccc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 72378772 WNZUBFHCIXZQKG-AWEZNQCLSA-N 335.433 1.519 0 40 EDAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C(=O)O)cc1 218099442 KEDYNGYMYLNWCZ-YQQAZPJKSA-N 347.392 1.417 0 40 EDAB CC1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 32860192 RRFRTTMWQHGRDQ-UHFFFAOYSA-N 325.434 1.395 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CCO1 124489174 ADUJEWGXVIZGSH-SNVBAGLBSA-N 336.697 1.685 0 40 EDAB Cn1c(O)nc2cc(C(=O)N3CCC(c4nnc(O)o4)CC3)ccc21 563531050 XTWGHYMOAHIOQK-UHFFFAOYSA-N 343.343 1.387 0 40 EDAB Cc1ccc(F)c(CC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1 570366432 DUHJFSLEGHCQFZ-RVKKMQEKSA-N 334.391 1.619 0 40 EDAB O=C(Cn1cc(COc2ccccc2F)nn1)NCc1cccnc1 227168614 NYCKHELFTSXULN-UHFFFAOYSA-N 341.346 1.708 0 40 EDAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1ccncc1 225772610 YUTGRKFYQDNCEV-UHFFFAOYSA-N 345.786 1.886 0 40 EDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC1 48168778 XFVDLHKMAXVLJD-GFCCVEGCSA-N 349.818 1.335 0 40 EDAB CCc1nc(CCNS(=O)(=O)c2ccccc2C(=O)O)cs1 577390748 DSGOUMIDQVGJSZ-UHFFFAOYSA-N 340.426 1.925 0 40 EDAB CN(C)C(=O)COC[C@H]1CC[C@H]2[C@H](CCN2Cc2ccncc2)O1 96064610 NIVXTYXBOKORTQ-IKGGRYGDSA-N 333.432 1.308 0 40 EDAB Cc1noc([C@@H]2CCO[C@@H]3CCN(C(=O)c4cscn4)C[C@@H]32)n1 96043448 LIFJZKLEMFFBCH-NQBHXWOUSA-N 334.401 1.869 0 40 EDAB CCc1ccc([C@H](COC)NS(=O)(=O)CC2(C(=O)OC)CC2)o1 583651546 ODOHPESDXOWQCT-LBPRGKRZSA-N 345.417 1.402 0 40 EDAB C[C@H](Cn1cccn1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 97095678 QVWUEVPDMIZRNT-OAHLLOKOSA-N 348.472 1.846 0 40 EDAB CS[C@H]1CCCCN(C(=O)NCCN2CCC(N(C)C)CC2)C1 95443486 DXGHUYNJFVOMES-INIZCTEOSA-N 342.553 1.940 0 40 EDAB O=C(c1ccco1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 96110692 YHVBEPFGDDGMHN-JKSUJKDBSA-N 327.384 1.790 0 40 EDAB Cc1ccc(CN2C[C@@H]3CCCO[C@@H]3[C@H](NS(C)(=O)=O)C2)s1 96057114 WPOCUZIDFDGRIS-CFVMTHIKSA-N 344.502 1.585 0 40 EDAB O=C(Cc1ccc(F)c(F)c1)N[C@H]1CCN(C(=O)c2ccccn2)C1 96483101 OODYFNHNIMOSRJ-ZDUSSCGKSA-N 345.349 1.933 0 40 EDAB CN1[C@@]2(CCN(C(=O)c3cccnc3)C2)c2ccccc2S1(=O)=O 96261832 AXUNBNWWOKNQPE-QGZVFWFLSA-N 343.408 1.457 0 40 EDAB CN(C)C(=O)COCC[C@H]1CCOC2(C1)CN(Cc1ccncc1)C2 247958033 DKNPAMOTCQICAH-INIZCTEOSA-N 347.459 1.558 0 40 EDAB COCCOC(=O)C[C@@H](CNC(=O)c1cncn1C)CC(C)C 585126315 WKYPIYAAWFQJFK-ZDUSSCGKSA-N 325.409 1.392 0 40 EDAB CC(C)C[C@H](CNC(=O)[C@H]1CCCO1)CC(=O)O[C@H]1CCOC1 585130323 MWCHJQAXQGBSSQ-SOUVJXGZSA-N 327.421 1.666 0 40 EDAB C[C@@H]1CO[C@@H](CO)CN1C[C@H]1CN(c2cccc(Cl)c2)C(=O)O1 585117281 XIKCUOGMKKVVOH-BYCMXARLSA-N 340.807 1.747 0 40 EDAB CS(C)(=O)=NCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 585137039 FKZSJJKYQIHQBH-HNNXBMFYSA-N 338.477 1.288 0 40 EDAB COCC(=O)NCC[C@H]1CN(Cc2ccc(C)o2)Cc2ccnn21 248061630 DBSGVPMAEKMFNL-AWEZNQCLSA-N 332.404 1.494 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1S(=O)(=O)c1cccnc1 257226346 FKHOZIRGNOTJCE-AWEZNQCLSA-N 348.428 1.202 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2cnc(C3CC3)nc2)n1 257341594 ZKZONFDWOBKGOM-AWEZNQCLSA-N 341.371 1.372 0 40 EDAB Cc1noc(C2CN(C(=O)c3cc([C@@H]4CCCN4C)ccn3)C2)n1 257204038 ASUFMZMABJKLST-HNNXBMFYSA-N 327.388 1.779 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@@H](c2nc(C)cc(C)n2)C1 257272325 NCAANKIONYIMLT-GFCCVEGCSA-N 333.417 1.721 0 40 EDAB CO[C@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@@]12CCCO2 257200891 AFGPZMRFXJFZRB-YOEHRIQHSA-N 328.372 1.287 0 40 EDAB CN(C(=O)c1ccc(Cc2ccccc2)nc1)[C@H]1CCS(=O)(=O)C1 257241548 HYLFIHBISQJMNQ-KRWDZBQOSA-N 344.436 1.932 0 40 EDAB CC(=O)N1CCN(C(=O)CCc2ccnn2C)[C@H](c2ccccc2)C1 257240078 HRYSMQMEUOOIPV-SFHVURJKSA-N 340.427 1.785 0 40 EDAB O=C(NC1CCN(C2CCC2)CC1)c1cn(C[C@H]2CCOC2)nn1 529466539 GNTIKGGPNXDHKN-CYBMUJFWSA-N 333.436 1.061 0 40 EDAB CN(C)c1cnc(C[C@H]2CCCN(C(=O)Cn3cccn3)CC2)cn1 257323161 WIYXJTNJCNDYJR-HNNXBMFYSA-N 342.447 1.611 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)CCCn3cncn3)CCO2)ncn1 257311595 UKGJDRYORZCOSI-INIZCTEOSA-N 344.419 1.017 0 40 EDAB COC(=O)Cc1ccccc1C(=O)N1CCN(c2nccs2)CC1 252508850 XVUNMPWYDKRKSD-UHFFFAOYSA-N 345.424 1.821 0 40 EDAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CCC(C(N)=O)CC1 253405007 RPXLHXARWRLZRH-VIFPVBQESA-N 349.412 1.794 0 40 EDAB biogenic,in-vitro CCn1nccc1-c1cncc(C[C@@H]2CCN(S(C)(=O)=O)C2)n1 257215098 CORINDNTRRTHMA-LBPRGKRZSA-N 335.433 1.184 0 40 EDAB Cn1nccc1CCC(=O)N1CCC2(CC(Nc3ccncn3)C2)C1 257309611 UBPSKCXFCWRURP-UHFFFAOYSA-N 340.431 1.636 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3nc(C)c[nH]3)C2)c1C 257261015 LFKSQMFUBQLSIY-CYBMUJFWSA-N 337.449 1.811 0 40 EDAB O=c1oc(O)nc2ccc(Cc3ccc4nc(O)oc(=O)c4c3)cc12 255187210 BXCOANOWKXASDN-UHFFFAOYSA-N 338.275 1.691 0 40 EDAB CN(C[C@H](O)C(F)(F)F)C(=O)c1[nH]c2ccccc2c1CC(=O)O 1606093923 NDJTUISCYZOYQS-NSHDSACASA-N 344.289 1.790 0 40 EDAB COCCC(=O)N1CCC(Nc2ccc(C(F)(F)F)nn2)CC1 271141544 YBUZUTRPSUYARE-UHFFFAOYSA-N 332.326 1.935 0 40 EDAB COc1ccc(Cn2nccc2NC(=O)[C@H]2CC[C@@H]2C(=O)O)cc1 1615003049 ZAPNXJRIJXAPQV-KBPBESRZSA-N 329.356 1.989 0 40 EDAB COC[C@@H]1CCCN1S(=O)(=O)CCCNC(=O)OC(C)(C)C 1615549481 NHSIKHYPCHAXFU-LBPRGKRZSA-N 336.454 1.342 0 40 EDAB Cn1cc(N2C[C@@H](C(=O)NCc3cccc4occc34)CC2=O)cn1 606444695 PAVUZOMURCNMQZ-ZDUSSCGKSA-N 338.367 1.836 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCCN(C(=O)Cc3cnc[nH]3)C2)c1 585275425 CCUWGOIHMIVEML-GOSISDBHSA-N 329.400 1.693 0 40 EDAB CCn1cncc1CN1CCO[C@@](CO)(Cc2cccc(F)c2)C1 585275414 DOHOCFBFVVZIPR-SFHVURJKSA-N 333.407 1.848 0 40 EDAB Cc1c([C@H]2CNC[C@@H]2c2nc(-c3ccc(CN)cc3)no2)cnn1C 1554045079 FMCJABRPVPDRGX-CVEARBPZSA-N 338.415 1.708 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCc3sccc3C2)o1 32922896 RSWJQZFXCQMEAP-UHFFFAOYSA-N 326.399 1.448 0 40 EDAB Cc1ncnc(OCC2CCN(C(=O)Cn3cncn3)CC2)c1C 1565522165 CMJORFBAQMFOKR-UHFFFAOYSA-N 330.392 1.003 0 40 EDAB CS(=O)(=O)CCNC(=O)N[C@H]1CCOc2c(Cl)cccc21 83984671 UZYVTEMVFUUEEG-NSHDSACASA-N 332.809 1.507 0 40 EDAB C[C@@H](NC(=O)N(C)Cc1cn(C)nn1)c1cc(F)ccc1N(C)C 1615545800 JDRPFYUVKCNHCG-LLVKDONJSA-N 334.399 1.923 0 40 EDAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccccc1 5241203 IYIZJUOYEPMQFF-CYBMUJFWSA-N 342.351 1.810 0 40 EDAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)COC2CCCCC2)C1 5997914 DXUPJBKWHBRLDL-GVDBMIGSSA-N 346.471 1.978 0 40 EDAB CCn1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)cn1 12117081 UDCRORQFRYJXPZ-SECBINFHSA-N 336.373 1.423 0 40 EDAB CS(=O)(=O)c1snnc1C1CCN(Cc2ccccn2)CC1 12121310 SHSXGKQALNBXHX-UHFFFAOYSA-N 338.458 1.716 0 40 EDAB COc1ccc(CNC(=O)C[C@@H]2CSc3nc(C)cc(=O)n32)cc1 14031557 OLZFLPUFYYCJMR-CYBMUJFWSA-N 345.424 1.914 0 40 EDAB O=C(O)[C@H](NS(=O)(=O)c1csc2ccccc12)[C@H]1CCOC1 556774039 XNAKWHWAUQAZNK-TVQRCGJNSA-N 341.410 1.669 0 40 EDAB CCOCC(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390831256 QSUUWMLBVYECHY-UHFFFAOYSA-N 325.430 1.629 0 40 EDAB CCn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccncc1 4463596 GOBCVOKRALQLQV-UHFFFAOYSA-N 332.389 1.004 0 40 EDAB C[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)cc1F 11010496 GVMFLPCEOASLAO-BDAKNGLRSA-N 347.339 1.270 0 40 EDAB Cc1cc(C)nc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)n1 1888854200 IGOLAOKJQCUZBI-BETUJISGSA-N 344.394 1.609 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(c2cc(C3CCC3)ncn2)C1)C1CC1 1889108028 BHKBJHYJRJOCFS-CYBMUJFWSA-N 336.461 1.795 0 40 EDAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1CCS(=O)(=O)C1 17638076 PLROETXPJIILMV-AWEZNQCLSA-N 330.409 1.974 0 40 EDAB COc1ccc2nnc(CNC(=O)COc3ccc(Cl)cc3)n2n1 244970266 HQFRHRKCTSAIAH-UHFFFAOYSA-N 347.762 1.482 0 40 EDAB COCCC(=O)N1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037983706 CTNVCMDJYNJYBZ-LJQANCHMSA-N 346.427 1.838 0 40 EDAB CCOC[C@@H]1CN(C(=O)Cc2ccc(F)cn2)Cc2cn(C)nc21 1615103220 MABHSPKSSKOQRC-ZDUSSCGKSA-N 332.379 1.659 0 40 EDAB Cc1cc(N2CCN(S(=O)(=O)C(C)C)CC2)n2nc(C)cc2n1 2086934234 OOQFNMRFFVQPTA-UHFFFAOYSA-N 337.449 1.206 0 40 EDAB Cc1nc(C(=O)N2CCn3c(Cn4cncn4)cnc3[C@@H]2C)cs1 1565545924 OWIXXPINTDQUAR-JTQLQIEISA-N 343.416 1.505 0 40 EDAB COC1(CC(=O)N2CCc3ncnc(-c4cncnc4)c3C2)CCC1 1565556700 YYSYPTYWRANJAJ-UHFFFAOYSA-N 339.399 1.778 0 40 EDAB COc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)cc1 51203 KYTXCSLDFMQCSI-NMWPEEMBSA-N 338.363 1.537 0 40 EDAB COc1ccccc1CCNC(=O)c1nc(-c2cnccn2)no1 44121793 GIDWUFNADORIEO-UHFFFAOYSA-N 325.328 1.508 0 40 EDAB COc1cnc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)nc1 2298187940 HWEUEYVQSRKLCT-GFCCVEGCSA-N 340.374 1.959 0 40 EDAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NC3CC3)[C@H]4C2=O)cc1 9305238 ZSTRBARPVXWWDN-RCJHGTSTSA-N 340.379 1.260 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCC2 30583889 IFRFBJPCUSQMPD-MRXNPFEDSA-N 336.457 1.719 0 40 EDAB CCCNS(=O)(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1 31159669 KUWHNJCJAIWQQR-UHFFFAOYSA-N 334.401 1.726 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccccc2)CCO1 50857457 VTWYCXIZBFNSSF-INIZCTEOSA-N 338.363 1.244 0 40 EDAB Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 51135421 TWDUDFMMRYAMQB-UHFFFAOYSA-N 345.424 1.664 0 40 EDAB CCCOc1ccc(NC(=O)N2CCO[C@H](C(N)=O)C2)cc1Cl 51617491 KXYCQTFHDZGEQR-ZDUSSCGKSA-N 341.795 1.847 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2cnn(C)c2)c1C 32540081 SVMXNZBBVQOZGF-LBPRGKRZSA-N 332.404 1.855 0 40 EDAB O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCCCC2)cc1 32831617 GABOCHVIUCDURK-CJNGLKHVSA-N 334.441 1.827 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)c2cc(Cl)ccn2)c1 32914573 MOLRTYCLDYOCPG-UHFFFAOYSA-N 339.804 1.573 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCN(Cc3cc(C)no3)CC2)c1 33224420 QQVZNPBLWXAGHN-UHFFFAOYSA-N 345.399 1.958 0 40 EDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCc1ccccn1 103031477 VQOZDZNLTSPMKW-GJZGRUSLSA-N 329.400 1.306 0 40 EDAB Nc1nccnc1C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 103205265 AHWDTBDWULSISK-OAHLLOKOSA-N 325.416 1.353 0 40 EDAB O=C(NCCCn1cncn1)c1ccc(Cl)cc1N1CCCC1=O 41862767 WSYJQSYVZLWJSV-UHFFFAOYSA-N 347.806 1.878 0 40 EDAB Cc1cccnc1NC(=O)NC[C@@]1(N2CCOCC2)CCSC1 47071592 QJPTVMKJLWPELJ-INIZCTEOSA-N 336.461 1.719 0 40 EDAB COC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CC1 9738060 LHMSLCIUFMBIGF-UHFFFAOYSA-N 333.373 1.525 0 40 EDAB Cc1cc(C(=O)Nc2sc(C)cc2C(N)=O)c2cnn(C)c2n1 79012796 IDENXCOPJLJWLM-UHFFFAOYSA-N 329.385 1.998 0 40 EDAB Nc1ccnc(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1 79110959 FILKLCRUAFEQSA-UHFFFAOYSA-N 346.334 1.697 0 40 EDAB Cc1cc(C(=O)O)c(CN2C(=O)c3ccccc3C2=O)c(=O)n1C 1728026 YDOWXAMYIOSQET-UHFFFAOYSA-N 326.308 1.188 0 40 EDAB Cc1nc(NCc2ccc(N3CCOCC3)nc2)c2cnn(C)c2n1 54055948 KWGPZDIHVDLOCZ-UHFFFAOYSA-N 339.403 1.515 0 40 EDAB CN(C)C(=O)c1cccc(C(=O)Nc2ccc(-c3nnn[nH]3)cc2)c1 104368034 YDHBZLNQFLAFLI-UHFFFAOYSA-N 336.355 1.821 0 40 EDAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCCC2=O)c1C 3517459 NTSJDYGWLZPFFG-UHFFFAOYSA-N 336.344 1.114 0 40 EDAB COc1ccc(N2C[C@@H](NC(=O)c3ccco3)CC2=O)cc1OC 4497692 GQAMVRUKJZECQI-NSHDSACASA-N 330.340 1.832 0 40 EDAB Nc1cc(N)nc(SCC(=O)N2CCCc3cccc(F)c32)n1 12522100 FSHNVQYZPXVPEK-UHFFFAOYSA-N 333.392 1.852 0 40 EDAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2N3C(=O)Cc2cccnc2)Nc2ccccc21 100119587 UJEGTNAPYZYEBO-GZRFBZBPSA-N 348.406 1.939 0 40 EDAB CCC(=O)c1ccc(OCC(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 8156244 GNUKDGRWNOYWFU-HNNXBMFYSA-N 349.383 1.497 0 40 EDAB C[C@@H](NC(=O)c1csc(S(N)(=O)=O)c1)[C@H]1C[C@H]2CC[C@H]1C2 106507748 BJVHAAGXTKIQKJ-FYLLDIAZSA-N 328.459 1.950 0 40 EDAB Cc1ccc(N2CCC[C@H](N[C@@H](C(N)=O)c3ccc(F)cc3)C2)nn1 106774511 MECWRFLAQSCKTA-DOTOQJQBSA-N 343.406 1.709 0 40 EDAB Cc1cc(C)cc(OCC(=O)N2CCN(Cc3csnn3)CC2)c1 97051888 FEYJRRZLURBLOX-UHFFFAOYSA-N 346.456 1.878 0 40 EDAB O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 107049169 GFJRATWSEXZUIY-LMSBXDPUSA-N 332.419 1.987 0 40 EDAB Cc1c(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cnn1C 56169653 WVVLZVRLLFXJQZ-UHFFFAOYSA-N 341.820 1.586 0 40 EDAB Cc1cc(N2CCN(C(=O)Cc3cccs3)CC2)n2ncnc2n1 24772491 OBOJXPIFMULEQG-UHFFFAOYSA-N 342.428 1.386 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)COc2cccc(C(N)=O)c2)no1 72299241 GULHKSPIUPWVQT-ZDUSSCGKSA-N 344.371 1.473 0 40 EDAB CCOCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)C2 108532509 HTEJJNOBZOWHEJ-UHFFFAOYSA-N 331.416 1.459 0 40 EDAB Cc1nccc(C(=O)NCCN2CCN(c3ccccc3)CC2)n1 48290782 LPGOFDIVHIKARB-UHFFFAOYSA-N 325.416 1.337 0 40 EDAB C[C@H](C(=O)NCc1ccco1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102082360 WOQIPDDHNXWATN-ITUDWLBOSA-N 340.379 1.337 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)c1ccnc(-n2ccnc2)c1 48245338 WFFQBFUQFBRXRF-UHFFFAOYSA-N 336.351 1.969 0 40 EDAB C[C@@H](C(=O)NCc1ccco1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102082355 WOQIPDDHNXWATN-NSRNNXRCSA-N 340.379 1.337 0 40 EDAB CN(c1ccccc1)C1CCN(C(=O)NCCN2CCOCC2)CC1 58219704 POWJBFZLESJJSB-UHFFFAOYSA-N 346.475 1.629 0 40 EDAB O=C(CNC(=O)c1ccoc1)NCCOc1ccc2c(c1)CCC2 58201089 OPDHIWGQNKRUMN-UHFFFAOYSA-N 328.368 1.693 0 40 EDAB CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(NC(C)=O)cc1 58208731 GAISHPROTUUBCS-AWEZNQCLSA-N 326.418 1.835 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCCOCc2ccco2)C[C@@H](C)O1 44936062 NAODLNXIVKJQOY-BETUJISGSA-N 332.422 1.130 0 40 EDAB CNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2C)CC1 44914314 WMVCYJXKXPPNBL-UHFFFAOYSA-N 330.837 1.795 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN2CCCC[C@@H]2C)cc1C(N)=O 44937462 ZFLONXQTYKCBQX-ZDUSSCGKSA-N 339.461 1.247 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)Nc1ccc(N2CCOCC2)nc1 44972684 ADSVQPFECDUHMK-CQSZACIVSA-N 334.420 1.809 0 40 EDAB O=CN1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 26111098 XLLDCOPCDMJEAF-UHFFFAOYSA-N 337.228 1.597 0 40 EDAB COc1ccc(OC)c(-c2cc(C(=O)NCCC(=O)N(C)C)no2)c1 58356973 MQLQRXFYMVMXND-UHFFFAOYSA-N 347.371 1.567 0 40 EDAB COC(=O)c1ccc(NC(=O)CCSc2nc(N)cc(=O)[nH]2)cc1 54363700 OUOXFHKRCVMEBQ-UHFFFAOYSA-N 348.384 1.260 0 40 EDAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1nc(CCOC)no1 72268675 MNYFYUYQSZBFPS-KBPBESRZSA-N 336.436 1.624 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC(N)=O)cc2)c1 28256354 XMYKAVDEUXSIEQ-UHFFFAOYSA-N 334.397 1.968 0 40 EDAB CC1(C)CC(NC(=O)c2n[nH]c(=O)c3ccccc23)CC(C)(C)N1 10814611 VBHXMDFMZFSBSR-UHFFFAOYSA-N 328.416 1.962 0 40 EDAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H](C)NC(C)=O)CC3 58703517 ZLOLXISSDGEASO-SNVBAGLBSA-N 343.383 1.364 0 40 EDAB NC(=O)c1ccccc1NC(=O)c1ccc(=O)n(-c2ccccc2)n1 45338471 TVFUIWSRGMVYCO-UHFFFAOYSA-N 334.335 1.584 0 40 EDAB COCc1cccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 12815397 MBTHEOPVSPQAPO-UHFFFAOYSA-N 331.372 1.733 0 40 EDAB Cc1ccc(OCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1C 72269100 KGKQHJLCHBVVMT-MSOLQXFVSA-N 332.444 1.740 0 40 EDAB CC(C)C[C@@H](CNS(=O)(=O)c1cccc(F)c1)N1CCOCC1 12802732 NBLLQVFYYXJTDI-HNNXBMFYSA-N 344.452 1.851 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 24256416 KEMCGSSQBLVYTL-UHFFFAOYSA-N 349.364 1.680 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)nc1 29793539 HIALAOJGMBIQLQ-AWEZNQCLSA-N 337.445 1.379 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)N(C)Cc1ccc2c(c1)OCCO2 46480705 GIZAGCHZGLLXSR-CQSZACIVSA-N 349.431 1.320 0 40 EDAB CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C1CCCCC1 2642352 YFLVNHDLCWUDCE-UHFFFAOYSA-N 336.413 1.622 0 40 EDAB NC(=O)c1cccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 13068987 HLONVBNJKSBWDP-ZIAGYGMSSA-N 343.383 1.289 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCC(Oc2c(C)cccc2C)CC1 83068775 AMJSLHYVMLBDLF-UHFFFAOYSA-N 340.445 1.222 0 40 EDAB COCCn1nc(C)c(NC(=O)C(=O)NC[C@@H]2CC=CCC2)c1C 84013940 RFJPWRCLRPYHOS-CQSZACIVSA-N 334.420 1.557 0 40 EDAB C[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)n1nnc2ccccc2c1=O 5207625 ONOHJPSPDKYQEO-JTQLQIEISA-N 334.339 1.289 0 40 EDAB COc1ccc2c(CC(=O)N3C[C@H](C)O[C@H](C)C3)cc(=O)oc2c1 65541224 URENDQBPNQUDDG-TXEJJXNPSA-N 331.368 1.980 0 40 EDAB COCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)C2)cc1 65588667 FBZREALCQCJWEN-ZDUSSCGKSA-N 325.430 1.979 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@@]2(CCN(Cc3nccn3C)C2)C1 306143868 YOTNULLIKUBERT-PBHICJAKSA-N 328.420 1.080 0 40 EDAB NC(=O)NC(=O)CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 65624918 PKRMNKKFCHTPGX-GFCCVEGCSA-N 346.214 1.952 0 40 EDAB COCCN1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 65625866 LUASMZZQQXRJFW-HZPDHXFCSA-N 345.443 1.124 0 40 EDAB CCN(Cc1cnn(C)c1)C(=O)c1ccc(=O)n(-c2ccccc2)n1 65908465 ULXQIKHCGINWJU-UHFFFAOYSA-N 337.383 1.628 0 40 EDAB CC1(C)Cc2c(sc3[nH]c(=O)n(-c4ccccn4)c(=O)c23)CO1 9341857 MONUWKAOKPTMEZ-UHFFFAOYSA-N 329.381 1.987 0 40 EDAB COC(=O)c1nnn([C@H](C)C(=O)Nc2ccccc2)c1C(=O)OC 67240231 DXKQXHVZNGCRJY-SECBINFHSA-N 332.316 1.051 0 40 EDAB COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccccc1 67286609 JBOGQKRTEAEOQV-INIZCTEOSA-N 329.400 1.954 0 40 EDAB CCOC(=O)c1oc2ccccc2c1NC(=O)CN1CCOCC1 19881328 ANSPUMORNITVIS-UHFFFAOYSA-N 332.356 1.880 0 40 EDAB CCN(C(=O)c1cccc(S(=O)(=O)N(C)OC)c1)c1cccnc1 68304055 QDEUGWFQPYIPQK-UHFFFAOYSA-N 349.412 1.930 0 40 EDAB CCCn1nnnc1COC(=O)COc1ccc(C(C)=O)cc1OC 7725653 XNAAULPYRKYLFT-UHFFFAOYSA-N 348.359 1.417 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1CC(=O)NC 68543844 DGAQDUHMGFSFDW-RYUDHWBXSA-N 334.420 1.400 0 40 EDAB CNS(=O)(=O)CC(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C 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40 EDAB CCOC(=O)C[C@@H](OC(=O)CCCNC(=O)C1CC1)c1cccnc1 71913675 KTIDGNRCUUUYLQ-OAHLLOKOSA-N 348.399 1.926 0 40 EDAB CO[C@H](C(=O)N1CCCN(c2cccnn2)CC1)c1ccccc1 69947758 MJPJJEZOGDSQHB-KRWDZBQOSA-N 326.400 1.903 0 40 EDAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCCCn1cccn1 71916687 JKHLIHONTLKHKH-GOSISDBHSA-N 342.443 1.681 0 40 EDAB O=Cc1cc(Br)ccc1OCC(=O)N1CCOCC1 8732622 RPMSENSLCFTUAT-UHFFFAOYSA-N 328.162 1.499 0 40 EDAB CNS(=O)(=O)[C@H]1CCN(C(=O)/C(C)=C/c2ccc(Cl)cc2)C1 95443574 ZRNCYVOZSDZLQA-MARXPDLDSA-N 342.848 1.893 0 40 EDAB C[C@H](CNc1nc2ccccc2nc1N1CCOCC1)[S@@](C)=O 95449500 DFVUFZCUPKSSBO-SPSFWMDKSA-N 334.445 1.645 0 40 EDAB c1ccc(-c2nnc3n2CCN(c2nnnn2-c2ccccc2)C3)cc1 95404382 JXJQSOGSXNTWCW-UHFFFAOYSA-N 344.382 1.941 0 40 EDAB CN(C)C(=O)NCCN(C)C(=O)Cc1ccc(-n2cccn2)cc1 95456692 PJRCAYLVIVJCOO-UHFFFAOYSA-N 329.404 1.144 0 40 EDAB C[C@@H](N[C@@H](C(=O)N1CCOCC1)c1ccccc1)C1CCOCC1 95416368 GSHUBCCFPFNGGA-CRAIPNDOSA-N 332.444 1.991 0 40 EDAB Cc1cccc(OCCCNC(=O)Cn2c(=O)oc3cccnc32)c1 89677669 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40 EDAB Cc1nnc(N2C[C@H]3OC[C@H](CNC(=O)c4cccnc4)[C@H]3C2)s1 306126601 DZXSAKOHEAPKLS-BFHYXJOUSA-N 345.428 1.123 0 40 EDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C(=O)O)cc1 218099368 KEDYNGYMYLNWCZ-HLLBOEOZSA-N 347.392 1.417 0 40 EDAB COCCN1C[C@@H](C(=O)O[C@H](C)c2ccc3c(c2)OCCO3)CC1=O 78442488 FZAKHNIQADZHRL-OCCSQVGLSA-N 349.383 1.557 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCCc2cccnc2)C1 78926167 UKJZSJQIUGYAAK-AWEZNQCLSA-N 334.420 1.933 0 40 EDAB CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 78978950 OXBOEXWFTJBEFP-SECBINFHSA-N 345.321 1.981 0 40 EDAB Cc1ccnn1CCC(=O)N1CCC[C@@H](c2ccnc3ncnn23)C1 72334862 PHCVOFFOQSMLCY-CQSZACIVSA-N 339.403 1.426 0 40 EDAB CCN1CCN(C(=O)NCC(c2ccco2)c2ccco2)C(=O)C1=O 669570560 OKRCWOQWPRMRIB-UHFFFAOYSA-N 345.355 1.405 0 40 EDAB C[C@H]1CN=C(N2CCN(c3cnn(C)c(=O)c3Cl)CC2)S1 78400625 XHLYBBQRUATFFO-VIFPVBQESA-N 327.841 1.047 0 40 EDAB CN(C)c1ncc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 218761909 YEFZXFFPRLGQRF-MRXNPFEDSA-N 339.399 1.809 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NCc1nn(C)c(Cl)c1Cl 36614527 LTTRUYNZMMIGII-UHFFFAOYSA-N 338.220 1.247 0 40 EDAB O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H]1CCCC[C@H]1O 73933198 FZWCRONEBHHDMT-IEBWSBKVSA-N 345.487 1.866 0 40 EDAB O=C(c1cccc(Cl)c1)N1CCCN(C(=O)C2(O)CCC2)CC1 133084995 KWUKWXTTXMZJLM-UHFFFAOYSA-N 336.819 1.930 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)[C@H](C)C(=O)O)cc2)C[C@@H](C)O1 572523133 VUNVSIHYGLSTNU-XQQFMLRXSA-N 348.399 1.273 0 40 EDAB O=C(Nc1ccc2c(c1)OCCO2)c1c(O)c2cccnc2[nH]c1=O 49411682 BZVNPANAFQWOMO-UHFFFAOYSA-N 339.307 1.652 0 40 EDAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(Cc3ccsc3)C[C@H]12 96185445 XECGJADKMYVZHK-MELADBBJSA-N 330.475 1.134 0 40 EDAB O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ncccn3)C[C@@H]12 96038616 XBDWEVYACUMVJN-BPLDGKMQSA-N 328.372 1.085 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96106932 DAHAMWRHUWZISX-AWEZNQCLSA-N 326.418 1.181 0 40 EDAB O=C([C@H]1CN(Cc2ccoc2)CC12CCOCC2)N1CCOCC1 96052207 KJHXZBSATKQOGJ-MRXNPFEDSA-N 334.416 1.367 0 40 EDAB O=C(c1ccco1)N1CCCn2nnc(COc3cccnc3)c2C1 96084399 SBZDZQOELPRVOT-UHFFFAOYSA-N 339.355 1.891 0 40 EDAB O=C([C@@H]1Cc2ccccc2O1)N1CCC(n2ncc3c2CNC3)CC1 333235540 AASIFJNGMBLJDQ-SFHVURJKSA-N 338.411 1.654 0 40 EDAB COCCN1C(=O)CCC12CCC(NC(=O)C1CCOCC1)CC2 96075850 UJLDUSPZRZPAEN-UHFFFAOYSA-N 338.448 1.479 0 40 EDAB O=C(O)c1cn([C@H]2CCN(c3nc(O)c4ccccc4n3)C2)nn1 580828363 KKTOMBSFUVQNNJ-VIFPVBQESA-N 326.316 1.077 0 40 EDAB CCN(C)S(=O)(=O)NC[C@H](ONC(=O)OC(C)(C)C)C(C)C 583651293 IQJDRUZEQPBEMI-NSHDSACASA-N 339.458 1.253 0 40 EDAB O=C(C1CCOCC1)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1ccncc1 96063891 LEMJDUZYYGXHNZ-CVEARBPZSA-N 329.400 1.210 0 40 EDAB COC(=O)c1cn(C2CCN(Cc3cnc4ccccn34)CC2)nn1 97376365 RVGKWKGWJHKODR-UHFFFAOYSA-N 340.387 1.550 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)[C@@H]1Oc3ccccc3O[C@H]1C)CC2 97198563 KAWOSNMHNBFVHA-KANYHAFZSA-N 328.372 1.246 0 40 EDAB Cc1ccc(Nc2ncnc3c2CCN(S(C)(=O)=O)CC3)cc1 96084090 MKZSTRGXSDKYKP-UHFFFAOYSA-N 332.429 1.889 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1CCOC1 96439422 CFPMQYVGGVMSPG-DLBZAZTESA-N 346.475 1.533 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cccn2)cc1 96441198 OZFBDVCFJFEJCM-GXTWGEPZSA-N 333.413 1.484 0 40 EDAB O=C(Cc1cccnc1)N1CCOC2(CCN([C@@H]3CCOC3)CC2)C1 96158985 KVNXSOJDRJIOSY-QGZVFWFLSA-N 345.443 1.106 0 40 EDAB COCC(=O)NCC[C@@H]1CN(Cc2scnc2C)Cc2ccnn21 248011132 GJBIDHDSDIBSJP-CYBMUJFWSA-N 349.460 1.358 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 247806860 BQYDFRGPWWTHLR-MRXNPFEDSA-N 340.383 1.462 0 40 EDAB CC(C)N1C[C@@H]2CN(Cc3nccs3)CCN2C[C@H](C(=O)O)C1 248001921 NZQQKDQPAIRPSZ-KBPBESRZSA-N 338.477 1.054 0 40 EDAB CS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccc(F)cc1 244012326 SLNZTAUYSCELNX-UHFFFAOYSA-N 328.409 1.600 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1cccnn1 257306615 SVARKECFEFPSAU-HNNXBMFYSA-N 340.387 1.188 0 40 EDAB COc1ccc(Cl)c(S(=O)(=O)N[C@]2(CC(=O)O)CCOC2)c1 1599577429 UHWXPRLMAJIHSK-ZDUSSCGKSA-N 349.792 1.261 0 40 EDAB CC(=O)NCC(=O)N(C)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257326648 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1.338 0 40 EDAB CN([C@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1)S(C)(=O)=O 260798261 QXTZOGWQUZUQLJ-HNKHHVNMSA-N 336.457 1.924 0 40 EDAB CCS(=O)(=O)NC1CCN(c2nc3ccccc3cc2CO)CC1 265583349 NYLLAHFTDHJVCB-UHFFFAOYSA-N 349.456 1.635 0 40 EDAB CC1(C)C[C@H](S(=O)(=O)N2Cc3ccccc3[C@@H](C(=O)O)C2)CO1 629333883 ZDRNWZHYAQUIIB-JSGCOSHPSA-N 339.413 1.568 0 40 EDAB CCn1cnnc1NC(=O)c1cc(Br)c(C)n(C)c1=O 285981053 XDJJKHAZTQUVNH-UHFFFAOYSA-N 340.181 1.320 0 40 EDAB COCCNS(=O)(=O)c1cnc(N2CCC[C@@H]2C)c(Cl)c1 1615045945 NZGAEWXZAACCKN-JTQLQIEISA-N 333.841 1.648 0 40 EDAB CCn1ncnc1-c1ccc(C(=O)N[C@H]2C[C@@H](N)C23CCC3)cc1 1615554586 MFUHYDJAXOPZFS-CABCVRRESA-N 325.416 1.965 0 40 EDAB Cc1nnc(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)s1 1615548300 MHAYGZLDFVUYLG-UHFFFAOYSA-N 331.445 1.875 0 40 EDAB Cc1cccnc1CCNC(=O)c1cc(C2CCOCC2)nn1C 1616048633 BEGVXAXTFNPQIT-UHFFFAOYSA-N 328.416 1.990 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2CCC(=O)Nc2cc(C)on2)n1 69629467 IVGBMLBVUCAXND-CQSZACIVSA-N 332.408 1.685 0 40 EDAB CN(C)CCC(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575404047 LVLLNMYLRCDUCT-LBPRGKRZSA-N 339.436 1.638 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1CO[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]21 585108618 YKOODFZQCBIPTJ-RBSFLKMASA-N 338.367 1.202 0 40 EDAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)C2CC2)CCO1 585282911 JFZQMHVGQHBXDF-KRWDZBQOSA-N 336.363 1.088 0 40 EDAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)N3CCOCC3)C2)cc1 585272333 NFDXGGWESKYOKB-LJQANCHMSA-N 348.443 1.060 0 40 EDAB Cc1cccc(OC[C@]2(O)CCN(C(=O)Cc3c(C)n[nH]c3C)C2)c1 585272274 MRWJJNGFWMGXJE-IBGZPJMESA-N 343.427 1.920 0 40 EDAB Cc1nc(/C=C/C(=O)N2C[C@H](CC(=O)N3CCCC3)[C@@H](O)C2)cs1 585289491 ILQZSSQOWDUJIH-SDCXRFKSSA-N 349.456 1.297 0 40 EDAB CS(=O)(=O)NCCNC(=O)CCc1ccc(Cl)c(Cl)c1 69416812 UTFWUIYTACEHEK-UHFFFAOYSA-N 339.244 1.591 0 40 EDAB Cc1occc(=O)c1OCC(=O)N1CCNC(=O)[C@@H]1c1cccs1 933745227 QIDZCVSUZXCETK-AWEZNQCLSA-N 348.380 1.088 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)NCc1ccnc(N2CCOCC2)c1 45845294 KXYGHGWTTRRLPM-MRXNPFEDSA-N 348.447 1.486 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)[C@@H]1CCCN1Cc1ccccn1 72867719 AKZUNKGZVPDVFR-INIZCTEOSA-N 349.398 1.660 0 40 EDAB CCn1ccnc1CN1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 95351795 HSIKTXUHYNNDLX-KRWDZBQOSA-N 347.507 1.668 0 40 EDAB CS(=O)(=O)CCCN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 96003164 LOMJDWKTITZKMX-FGTMMUONSA-N 336.501 1.921 0 40 EDAB O=C(COc1ccc(Cl)cc1Cl)NCCn1ncccc1=O 11856207 MTRLKWFOHSDUNI-UHFFFAOYSA-N 342.182 1.745 0 40 EDAB Cc1cc(O)n2nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)cc2n1 12161046 LZYCXHCCRGGHIB-ZIAGYGMSSA-N 330.388 1.976 0 40 EDAB Cc1cnn(CC(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)c1 19239901 VLAVGPKTSDPNCK-CQSZACIVSA-N 341.415 1.101 0 40 EDAB CC(=O)O[C@@H]1C[C@H](C(C)(C)O)O[C@@H]2CC[C@](C)(O)[C@@H](C(=O)O)[C@]12C 252516246 QRCCFDIDLFCYHO-OSWLLCPQSA-N 344.404 1.098 0 40 EDAB biogenic,in-vitro Cc1nc2c(c(N3CCN(c4ccc5nccn5n4)CC3)n1)CCC2 1888890950 PPLGOEACZHNFKS-UHFFFAOYSA-N 335.415 1.643 0 40 EDAB Cc1cncc(N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)n1 1889078538 WIIXDPQJLOTNLF-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB CCOC(=O)N1CCN(c2nccnc2-n2nc(C)cc2C)CC1 1889130395 SYTZPQFZFBYCGZ-UHFFFAOYSA-N 330.392 1.558 0 40 EDAB COc1cc(N2CCN(c3ncnc4cc(C)[nH]c34)CC2)ncn1 1889139345 PAHJFKVSSQQVTG-UHFFFAOYSA-N 325.376 1.392 0 40 EDAB CC(=O)N1CC2(CCN(c3nc(C)cc(C)n3)CC2)[C@H]2COC[C@H]21 1041696079 MQYXTWFSFOTYON-JKSUJKDBSA-N 330.432 1.557 0 40 EDAB O=C1C(=O)N(C2CCCC2)C(=O)N1CN1CCc2ccccc2C1 23381331 VADYFUDWGPIEIQ-UHFFFAOYSA-N 327.384 1.736 0 40 EDAB CC(=O)N[C@@H](CSC(=S)NCCc1ccccc1)C(=O)O 22047547 BPWJNEDSCLPNGK-LBPRGKRZSA-N 326.443 1.426 0 40 EDAB in-vitro CNC(=O)c1c(NC(=O)C(C)C)sc2c1CCN(C(=O)OC)C2 5255416 DFXIRWWGBHQYQA-UHFFFAOYSA-N 339.417 1.827 0 40 EDAB O=C(C1CC=CC1)N1CCC[C@@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771698 RFINWKYNBLYDBK-LJQANCHMSA-N 342.443 1.693 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)CC2=CCCCC2)C1 2055772134 ZZPMGLGGVUPDGC-SFHVURJKSA-N 330.432 1.837 0 40 EDAB Cc1cccc(NC(=O)C[C@@H](NCCCN2CCOCC2)C(=O)O)c1 22996916 WAKQTQWCGBBHGF-MRXNPFEDSA-N 349.431 1.089 0 40 EDAB O=C(NCCOc1cc(N2CCCCC2)ncn1)c1ccccn1 38520474 HVKQLBBJCSTHGB-UHFFFAOYSA-N 327.388 1.671 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCOc3ccccc32)cc1 40474131 UHGHOJHBRCAURD-AWEZNQCLSA-N 332.381 1.588 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cn1ccccc1=O 40493901 BXUGDLSHVHUIBJ-ZDUSSCGKSA-N 348.424 1.471 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)c2cc(C3CC3)[nH]n2)c1 40514149 QKHJVAIVYHLOLH-HNNXBMFYSA-N 331.372 1.768 0 40 EDAB CCN(CC(=O)NC)C(=O)CCc1nnc(-c2ccc(C)cc2)o1 40539438 PPFOYYUMYALQRZ-UHFFFAOYSA-N 330.388 1.572 0 40 EDAB O=C(CNC(=O)c1ccc(Br)cc1O)Nc1cn[nH]c1 51412601 AMOSUMBBAPJWBL-UHFFFAOYSA-N 339.149 1.246 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2ccc3c(c2)OCC(=O)N3)C1 32268444 NLSWDMNEMXDTON-CQSZACIVSA-N 347.415 1.104 0 40 EDAB COC(=O)c1cc(NCC(=O)NC(=O)NCC(C)C)c(F)cc1F 32788520 NVYVIBWKSOULEM-UHFFFAOYSA-N 343.330 1.645 0 40 EDAB CC(C)[C@@H]1NC(=O)N(CC(=O)NCCCCc2ccccc2)C1=O 21656484 NGBCYVKRLUDORK-INIZCTEOSA-N 331.416 1.702 0 40 EDAB O=C(C[C@H](C(=O)O)N1CCOCC1)c1ccc(Br)cc1 41473 GOSZQLIFKZUNME-GFCCVEGCSA-N 342.189 1.807 0 40 EDAB CCc1n[nH]c(=O)c(CNc2ccc3nnc(C(F)F)n3n2)c1CC 92684473 JHGOVSYLQQYFOQ-UHFFFAOYSA-N 349.345 1.882 0 40 EDAB CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2ncnc3c2cnn3C)C1 53579268 DNHLRBIQKRTYST-QWHCGFSZSA-N 330.436 1.885 0 40 EDAB C[C@H]1NC(C(=O)N(C)Cc2ccco2)=NN(c2ccccc2)C1=O 42017524 UBKKDMSADFCTES-GFCCVEGCSA-N 326.356 1.576 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1noc(-c2ccc(Cl)cc2)n1 79606351 VIIYMGDDGWBYLI-LDYMZIIASA-N 334.763 1.846 0 40 EDAB COc1ccc(Br)cc1NS(=O)(=O)c1cn[nH]c1 42415454 WCUYNOZNZQHHNS-UHFFFAOYSA-N 332.179 1.982 0 40 EDAB O=C1CN(C(=O)CN(Cc2ccccc2)C2CCCCC2)CCN1 84535601 CLVSNPDYMZYXJR-UHFFFAOYSA-N 329.444 1.780 0 40 EDAB C[C@H](C(=O)NCc1ccccc1F)N1CCN(C(=O)C2CC2)CC1 24596982 JMOQKMNSNHSEAW-CYBMUJFWSA-N 333.407 1.385 0 40 EDAB Cc1nc(CN2CCC[C@@H](NCC(=O)N[C@H](C)c3ccco3)C2)no1 106779684 PTFQAYXHBCNYCC-TZMCWYRMSA-N 347.419 1.402 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1nc(-c2ccccc2)no1 25254586 LXUBCJMVTAPVJI-OAHLLOKOSA-N 330.369 1.664 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCOC1CCCCC1 43752803 IXYZGPDJSHXMPU-OAHLLOKOSA-N 346.493 1.656 0 40 EDAB CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 57019074 QZGBGSSPWOZIDQ-UHFFFAOYSA-N 345.852 1.294 0 40 EDAB Cc1ccc(C)c(OC2CCN(CN3C(=O)C(=O)N(C)C3=O)CC2)c1 57104953 NUUVVLNQHCNTPO-UHFFFAOYSA-N 345.399 1.525 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCCc2ccccc2)c1 1805642 AZOYLNGWHOKZTH-UHFFFAOYSA-N 346.452 1.941 0 40 EDAB O=c1oc(-c2cccs2)nn1Cc1nnnn1-c1ccccc1 12620657 ODLRGYTWANWFHE-UHFFFAOYSA-N 326.341 1.589 0 40 EDAB Cn1c(S)nnc1CNC(=O)[C@H]1CCCO[C@H]1c1ccccc1 108894679 PEISICNMVPPIGL-JSGCOSHPSA-N 332.429 1.888 0 40 EDAB C[C@@H](C(=O)NCc1cccc(OCc2ccccn2)c1)S(C)(=O)=O 48226531 DSLSVBBAWBAVIN-ZDUSSCGKSA-N 348.424 1.710 0 40 EDAB O=C(NCc1cccnc1OCC(F)(F)F)NC[C@@H]1CCOC1 48286497 FGOSPCYKHGBDHY-JTQLQIEISA-N 333.310 1.858 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)[C@H]1CC(=O)N(CC2CC2)C1 95350083 QMAVCJCHQYPOHB-GJZGRUSLSA-N 330.384 1.057 0 40 EDAB COCCOCCCC(=O)N[C@H](C)c1ccc(OCC(N)=O)cc1 84651588 UEIRQTMLJGNBCH-CYBMUJFWSA-N 338.404 1.171 0 40 EDAB COC(=O)c1sc2ncnc(N[C@H](CC(=O)O)C(=O)O)c2c1C 58279404 SBRHCZTYPXSHFE-ZCFIWIBFSA-N 339.329 1.126 0 40 EDAB CC(=O)N[C@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)C1CCCC1 44969508 JHGSHDSZHYBJLT-CVEARBPZSA-N 345.447 1.257 0 40 EDAB CN1CCC(NC(=O)NCc2cccnc2OCC(F)(F)F)CC1 44949939 HNDBUDACEQCFRX-UHFFFAOYSA-N 346.353 1.916 0 40 EDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H](C)C2)c1 27967225 QGCDMEXEMAOIMD-VIFPVBQESA-N 333.793 1.536 0 40 EDAB C[C@H](C(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1nccn1C 63861854 RAASPJRSWLEXBD-LLVKDONJSA-N 339.392 1.080 0 40 EDAB Cc1csc(CNC(=O)NCC(=O)NCCc2ccccc2)n1 58557208 ITNDFLNXACTGCI-UHFFFAOYSA-N 332.429 1.610 0 40 EDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccc(=O)n(C)c1 95954072 NKAZKTVDRDWVGT-KRWDZBQOSA-N 339.395 1.860 0 40 EDAB O=C(NCC(=O)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1)c1ccccn1 102695803 TYAFKEFZECOSKW-BFYDXBDKSA-N 342.443 1.144 0 40 EDAB Nc1nnc(CCN2CCC[C@@H]2C(=O)NCC2CCCCC2)s1 97373564 NBVCLRYIVWUAIQ-CYBMUJFWSA-N 337.493 1.824 0 40 EDAB O=C(NCCCN1CCCC1)c1ccc(=O)n(Cc2ccccc2)n1 48343272 SUCIHLBMAKILHD-UHFFFAOYSA-N 340.427 1.507 0 40 EDAB COC(=O)[C@]1(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)CCSC1 95444105 KDZDHYSTNFATMD-PBHICJAKSA-N 335.425 1.772 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cnn(C)c1 95415743 XEIZTFXIQSHPLN-BBRMVZONSA-N 347.463 1.962 0 40 EDAB CCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C[C@@]23C=C[C@H]1O3 100833638 BGQRXMCVRTWFOQ-ADAWSYLGSA-N 329.352 1.545 0 40 EDAB COCCCNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29540992 ZOXUKBCJSGVMSP-UONOGXRCSA-N 340.420 1.121 0 40 EDAB Cc1cccc(-n2nnnc2SCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 3412678 RTPMGECUGKUQHN-CHWSQXEVSA-N 347.444 1.699 0 40 EDAB CCN(CC(=O)NCCc1ccc(OC)cc1)CC(=O)NC(C)C 3419864 XNCHZLUIFRIHNU-UHFFFAOYSA-N 335.448 1.200 0 40 EDAB CNC(=O)Cc1nc(CNc2ccc(C)cc2C(=O)NC)cs1 95414880 GEDCNPBXEMUBFR-UHFFFAOYSA-N 332.429 1.712 0 40 EDAB C[C@H](NC(=O)NCCCn1cncn1)c1ccc2c(c1)NC(=O)CO2 48739655 STSDQPUOUWRGFF-NSHDSACASA-N 344.375 1.060 0 40 EDAB O=S(=O)(c1ccc(F)cc1)N1CCN(c2nccs2)CC1 13018838 NRDCRNGXXROHEF-UHFFFAOYSA-N 327.406 1.793 0 40 EDAB CCn1nc(C)cc1C(=O)N1Cc2ccnn2[C@@H](CCN(C)C)C1 306134248 NGZMOGIMQPFWCL-HNNXBMFYSA-N 330.436 1.557 0 40 EDAB Cc1cc(C)cc(C(=O)NCC(=O)OCCCN2CCOCC2)c1 95407059 NYDNJPHLXWDEEY-UHFFFAOYSA-N 334.416 1.299 0 40 EDAB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1C=C[C@@]2(C2OCCO2)O1 409290749 NDERKFNTXRYETM-IPJQOSJUSA-N 347.754 1.526 0 40 EDAB CC(C)c1ncncc1C(=O)N1CCN(Cc2ccccn2)CC1 65504695 FQPHIOSDPQCTLF-UHFFFAOYSA-N 325.416 1.953 0 40 EDAB CC(C)(C)c1csc([C@@H]2CN(CCS(C)(=O)=O)CCO2)n1 65513227 QDWLOHFMTQXHRQ-NSHDSACASA-N 332.491 1.859 0 40 EDAB CN(C)c1ncnc2c1ncn2CN1CCN(c2ccccc2)CC1 65522219 STVASIWJAAKURH-UHFFFAOYSA-N 337.431 1.672 0 40 EDAB COC(=O)[C@@H](NC(=O)c1cnn2ccn(C)c12)c1cccc(C)c1 65528978 LTYGSTWFUGJMIX-AWEZNQCLSA-N 326.356 1.625 0 40 EDAB CCNC(=O)NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 14111173 RIBCYKPOXQYHHK-UHFFFAOYSA-N 349.416 1.735 0 40 EDAB Cc1ccoc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 14137266 NETYJJZYOXWUPU-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB CC(=O)NCCNC(=O)CCC(=O)c1ccc(Br)cc1 14125039 GGUIBRBBCKCKCU-UHFFFAOYSA-N 341.205 1.664 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 14115291 REYHRLKXSNEKHI-MRXNPFEDSA-N 331.303 1.824 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccoc3)CC2)c1 9388616 CJISWCTZLHRDNF-UHFFFAOYSA-N 334.397 1.735 0 40 EDAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCC(C)C)C=C2 96221403 UQUNHQNPDANGIJ-UHFFFAOYSA-N 332.400 1.831 0 40 EDAB biogenic CCCOc1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 7262529 GLHRBCXCYRBRHC-GFCCVEGCSA-N 327.402 1.158 0 40 EDAB Cc1ccc(NC2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)nn1 71863534 GWXQKRMZCBUKCP-UHFFFAOYSA-N 342.447 1.781 0 40 EDAB NC(=O)c1ccc(OCC(=O)N2CCCC[C@H]2Cn2cccn2)cc1 70038389 HYONQFZLRMYUKC-HNNXBMFYSA-N 342.399 1.442 0 40 EDAB CC(C)(C)[S@](=O)CCNC(=O)NC[C@H](O)c1ccccc1F 71909930 XVQZYQZBIIKJMM-XMHCIUCPSA-N 330.425 1.706 0 40 EDAB O=C(NCCNC(=O)c1ccc(F)cc1F)c1cc(C2CC2)[nH]n1 69457598 LCDJFHDRLLBCFD-UHFFFAOYSA-N 334.326 1.725 0 40 EDAB CCCNC(=O)[C@H](C)Sc1nnc(-c2cccc(N(C)C)c2)n1N 71914315 FGNONBXPUALGRB-NSHDSACASA-N 348.476 1.732 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(N2CCN(C)CC2)cn1 69562137 VYFORBHBSCJHGO-GOEBONIOSA-N 348.447 1.356 0 40 EDAB COc1ncccc1CNC(=O)C(=O)Nc1cc(F)c(F)cc1F 69562339 FSFRQRRMTQJLBH-UHFFFAOYSA-N 339.273 1.762 0 40 EDAB O=C(COC1CCCCC1)N1CCN(C(=O)Cc2ccccn2)CC1 69584536 RINPRNMMXMRVPH-UHFFFAOYSA-N 345.443 1.644 0 40 EDAB CCOCCO[C@H](C)C(=O)NC[C@@H](C(=O)OC)c1cccc(C)c1 69586021 XAQRESBOVGBHEI-GDBMZVCRSA-N 337.416 1.809 0 40 EDAB C[C@@H](CNC(=O)CCCOc1cccc(F)c1)N1CCN(C)CC1 69665738 YZZJBMKPOWULJI-HNNXBMFYSA-N 337.439 1.737 0 40 EDAB CCOCCN1CCN(CC(=O)Nc2cc(C)nn2C)C[C@H]1CC 69698094 SGZIDHBATZMKCP-OAHLLOKOSA-N 337.468 1.100 0 40 EDAB Cc1c(C(=O)N(CCCO)S(=O)(=O)c2cccs2)cnn1C 69622302 MNKRZTQWQGXEKQ-UHFFFAOYSA-N 343.430 1.004 0 40 EDAB C[C@@H](CO)NC(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 69705220 YUSYPVWENNZCNV-LBPRGKRZSA-N 346.358 1.954 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN1Cc1ccc(Br)s1 69814274 VEFJCYSPMANIIG-MRVPVSSYSA-N 339.280 1.764 0 40 EDAB CC1(C)CN(C[C@H](O)CN2CCOCC2)CCN1Cc1ccccc1 69842065 PLFHJIKVQKEFSL-LJQANCHMSA-N 347.503 1.276 0 40 EDAB CCc1nnsc1C(=O)N1CSC[C@H]1C(=O)N(CC)CC 69876675 ZYWOMGYCNHUDPE-JTQLQIEISA-N 328.463 1.484 0 40 EDAB Cc1nn2cccnc2c1C(=O)N1CCn2c(nnc2C(C)C)C1 69923039 DELQYJOZCMILPQ-UHFFFAOYSA-N 325.376 1.409 0 40 EDAB Cc1ccc(CCNC(=O)N2CCC(CC(=O)N(C)C)CC2)cn1 97080511 VVMZNUWNACJQKR-UHFFFAOYSA-N 332.448 1.832 0 40 EDAB O=C1NC(=O)[C@]2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)C2)N1 72290710 PWKSBPGOBQWBHQ-GLKRBJQHSA-N 333.775 1.254 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2cccs2)[C@@H]1c1ccccc1 72237874 KREUOBQILBFKSK-HOTGVXAUSA-N 330.409 1.963 0 40 EDAB Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(-n2cnnc2)cc1 97144117 PHFRZGUNVKMIJP-KRWDZBQOSA-N 337.383 1.820 0 40 EDAB CCn1c(SCC(N)=O)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409140906 FORWDRWRROROJZ-NSHDSACASA-N 347.444 1.675 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)C12CCC2 89985722 IQMDVCCCJZYEHP-UONOGXRCSA-N 348.447 1.235 0 40 EDAB O=C(c1cc2c(s1)CCOC2)N1CCN([C@H]2CCC[C@H]2O)CC1 75606347 AIYFZMPDKGRITG-UONOGXRCSA-N 336.457 1.492 0 40 EDAB C[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 76058178 HEOOEPHSCOLGMK-DOMZBBRYSA-N 337.445 1.042 0 40 EDAB O=C(CCNC(=O)c1ccccc1)NCc1cn2c(n1)CCCC2 65540149 MIJQXBYOLPADAE-UHFFFAOYSA-N 326.400 1.656 0 40 EDAB CN(C(=O)c1conc1C1CC1)C1CC(NC(=O)C(C)(F)F)C1 1016999846 RHCFIEGJXVDYBX-UHFFFAOYSA-N 327.331 1.926 0 40 EDAB CCOC(=O)CCc1cc(N[C@H]2CCC[C@H]2C(=O)NC)nc(C)n1 521398639 VPHFXMCHQSVACF-KGLIPLIRSA-N 334.420 1.607 0 40 EDAB O=C(CN1C(=O)S/C(=C/c2ccsc2)C1=O)N1CCOCC1 214279103 URHLAGXINTWLLO-YRNVUSSQSA-N 338.410 1.643 0 40 EDAB C[C@H](NC(=O)NCc1nc(C2CC2)no1)C(=O)Nc1ccccc1 78988699 ABSFDCNSKQTVFY-JTQLQIEISA-N 329.360 1.773 0 40 EDAB CCCNS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217543731 PVLGBGNBYDJGFW-NSHDSACASA-N 342.417 1.664 0 40 EDAB CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c(C3CC3)n2)CC1 72340348 GVFFOIFUGSETMZ-UHFFFAOYSA-N 327.388 1.986 0 40 EDAB NC[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218504721 DSLGTRKEFZYQDB-ULQDDVLXSA-N 335.400 1.703 0 40 EDAB C[C@H]1CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CCO1 25838261 DCHFHDWDTABBOL-HNNXBMFYSA-N 345.443 1.584 0 40 EDAB CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)NC4CC4)C3)nn12 32102756 VSNDJWSDCLHNNG-LBPRGKRZSA-N 328.420 1.743 0 40 EDAB CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3C[C@H](C)O[C@@H](C)C3)C2=O)cc1 35979300 KKTGZRNDWLAPHX-MQIPJXDCSA-N 345.399 1.386 0 40 EDAB COCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)(C)C 217433678 SCAGOLXUHSLDLY-UHFFFAOYSA-N 330.406 1.520 0 40 EDAB O=C(NCc1ccc(OCC2CC2)nc1)[C@H]1CCc2nnnn2CC1 567240268 NMHRRWBHPIBQGZ-AWEZNQCLSA-N 342.403 1.126 0 40 EDAB COc1c(C)c2c(c(O)c1C[C@H](O)[C@]1(C)CCC(=O)O1)C(=O)OC2 14455556 WSNMPAVSZJSIMT-GTNSWQLSSA-N 336.340 1.379 0 40 EDAB biogenic,in-vitro CC[C@H]1c2cccn2CCN1CC(=O)NCc1ccc(C(=O)OC)o1 72152055 KGTREOQMYJBVLO-AWEZNQCLSA-N 345.399 1.951 0 40 EDAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1 41077654 VQZQJKQYZAGBHO-UHFFFAOYSA-N 332.451 1.697 0 40 EDAB CCNC(=S)Nc1nc(N2CCOCC2)cc(C(F)(F)F)n1 225883750 PTGLLLSQQGIHBM-UHFFFAOYSA-N 335.355 1.638 0 40 EDAB COc1ccccc1N1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 225508741 PAONIAXWYCBYLG-AWEZNQCLSA-N 340.427 1.872 0 40 EDAB CC(=O)NCCNC(=O)C1(c2ccc(Br)cc2)CC1 40047262 AXUFHXPNAUSFMY-UHFFFAOYSA-N 325.206 1.733 0 40 EDAB COC(=O)c1ccc(C(=O)NCc2nc(-c3cccn3C)no2)cc1 225765106 NVCUIRMIWMZNJV-UHFFFAOYSA-N 340.339 1.792 0 40 EDAB CN1CCN(CCC(C)(C)NC(=O)c2cc(N(C)C)ccn2)CC1 190797950 WZTVWGAAWOJBNZ-UHFFFAOYSA-N 333.480 1.294 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1 96092222 CZTXLYHMQBNWPJ-KBAYOESNSA-N 341.411 1.970 0 40 EDAB O=C(C1CCOCC1)N1CCc2ncnc([C@@H]3CCOC3)c2CC1 96058693 KIIZPJJOVOXKMJ-CQSZACIVSA-N 331.416 1.334 0 40 EDAB Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4nccn4C)CCN3C2)n1 96183437 NXZCPQWBRSVHOH-ZWKOTPCHSA-N 341.459 1.599 0 40 EDAB COCCO[C@H]1CCN(Cc2cnn(C)c2)[C@H]1Cc1cnn(C)c1 96200640 LXBPWRCBAVSMTR-IRXDYDNUSA-N 333.436 1.002 0 40 EDAB O=C(N1CCCC1)N1CC[C@@]2(CCN(Cc3ccccn3)C2=O)C1 96159503 PBVRXNCDJURSLJ-SFHVURJKSA-N 328.416 1.722 0 40 EDAB O=C(Nc1ccc(C(=O)OC2CCNCC2)cc1)c1cc[n+]([O-])cc1 95971579 AJGFQJPUTWLBNT-UHFFFAOYSA-N 341.367 1.481 0 40 EDAB CCc1nn(C)cc1CN1CCC[C@](O)(c2cn(C(C)C)nn2)C1 583617444 PPJCRCRFUIGGPM-QGZVFWFLSA-N 332.452 1.639 0 40 EDAB CN1CCN(Cc2cnc3n2CCN(Cc2ccccc2)C3)CC1 96201081 UVULHALPMYSKKV-UHFFFAOYSA-N 325.460 1.646 0 40 EDAB Cn1cc(N2CC[C@]3(CCCN(Cc4ccccn4)C3)C2=O)cn1 96074092 UFQBNENLFIZBLK-SFHVURJKSA-N 325.416 1.834 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@]1(O)CCc2ccccc21 96025817 WCKIPNDSBZTECR-MRXNPFEDSA-N 335.429 1.149 0 40 EDAB COC(=O)[C@@H]1[C@@H](CNc2ccccc2CS(C)(=O)=O)C1(F)F 585085433 NRTNCTJVEQZPFV-PWSUYJOCSA-N 333.356 1.697 0 40 EDAB O=C(O[C@H]1CCOC1)N1CCOC[C@H]1c1ncnn1-c1ccccc1 585135236 VYRSUOQOMLVGSS-GJZGRUSLSA-N 344.371 1.566 0 40 EDAB C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(Cc1nc(O)n[nH]1)C2 585133241 BWICLHUDKDFUNK-ROUUACIJSA-N 327.432 1.854 0 40 EDAB CC(C)Nc1ccnc([C@H]2COCCN2C(=O)c2cscn2)n1 96218724 VVCBUUOJWJQSPO-GFCCVEGCSA-N 333.417 1.967 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)CNc2ccc(-n3cccn3)cc2)C1 95417956 ZFDLNEJLTKFERG-MRXNPFEDSA-N 341.415 1.411 0 40 EDAB CN(Cc1cccnc1)C[C@@H]1CN(C(=O)C2CC2)Cc2nccn2C1 96188697 CBTZHGUBKNNAMS-INIZCTEOSA-N 339.443 1.779 0 40 EDAB Cn1ccnc1CN1CCC[C@@]2(COCCN(c3ncccn3)C2)C1 96076533 RVBPUQXAXKQTHN-GOSISDBHSA-N 342.447 1.329 0 40 EDAB C[C@@H]1CS(=O)(=O)CCN1Cc1nnc(-c2ccc(F)cc2)o1 96443427 RCPHLCIQQFRYPZ-SNVBAGLBSA-N 325.365 1.495 0 40 EDAB CN(C)CCOC[C@H]1CN(C(=O)c2cccs2)Cc2ccnn2C1 96067256 PWIHMNOPZRZYBG-AWEZNQCLSA-N 348.472 1.795 0 40 EDAB Cc1cc(C)cc(CN2CCN3C[C@@H](C(=O)O)CN(C)C[C@H]3C2)c1 248109931 HAAJGIZHSDYHTL-ROUUACIJSA-N 331.460 1.436 0 40 EDAB COC(=O)[C@@H]1[C@@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@]1(C)O 245232421 VUGOLLUZWMJXDN-JDFRZJQESA-N 348.355 1.058 0 40 EDAB CN(C(=O)CN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O)c1ccccc1 245316716 KGRVCKKAWRHKFP-JKSUJKDBSA-N 338.473 1.937 0 40 EDAB Cc1c(C(=O)NCc2nnc3c(O)nccn23)cnn1-c1ccccc1 253401169 MOCZFJJGKLEVDG-UHFFFAOYSA-N 349.354 1.254 0 40 EDAB Cc1nc([C@]2(C)CCCN(C(=O)C(C)C)C2)nc2c1CC(=O)N2C 257296588 RDLLYIMTQQFGQR-GOSISDBHSA-N 330.432 1.840 0 40 EDAB Cc1cc(N)cc([C@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1 257252635 JVMZEVUCKCWDIC-MRXNPFEDSA-N 329.404 1.238 0 40 EDAB CCS(=O)(=O)N1CCC(c2nnc([C@H]3CCCNC3)o2)CC1 257232848 GMRCXGCYOXCVLN-LBPRGKRZSA-N 328.438 1.066 0 40 EDAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCC(C(N)=O)CC1 253399446 JIQHVXCTNOHTPF-NSHDSACASA-N 343.383 1.732 0 40 EDAB biogenic,in-vitro CN(C)c1cnc(C[C@@H]2CCCN(C(=O)Cn3ccnc3)CC2)cn1 257216400 CUKFCPFIQOHSHR-OAHLLOKOSA-N 342.447 1.611 0 40 EDAB NCc1cccc(-c2cccnc2C(=O)N2CCC[C@@H](C(N)=O)C2)c1 257277136 NWOQONVDXREJTO-OAHLLOKOSA-N 338.411 1.545 0 40 EDAB COc1ccccc1N1C(=O)C[C@H](N2CCCC[C@H]2CCO)C1=O 250402687 POHZAGRWQWNMLR-ZFWWWQNUSA-N 332.400 1.564 0 40 EDAB COCCOc1cc(C(=O)NCCNC(=O)OC(C)(C)C)ccn1 253473120 RLTFYDCFOCTKPI-UHFFFAOYSA-N 339.392 1.361 0 40 EDAB Cc1csc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)c1 257228566 FUICWVHLXFNFEQ-QGZVFWFLSA-N 346.456 1.950 0 40 EDAB Cc1ccc2c(c1)O[C@@H](C(=O)N[C@H](C)C(C)C)CN2S(C)(=O)=O 260893029 GCEKYTOWUDKCSJ-IUODEOHRSA-N 340.445 1.683 0 40 EDAB CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1cnccc1C(F)(F)F 358852971 HTAJVCZSHXSHCQ-QMMMGPOBSA-N 340.323 1.974 0 40 EDAB CCc1ccsc1CNC(=O)N1CC[C@@H](CS(C)(=O)=O)C1 1615044109 MCMMPGUUVZJGJG-LLVKDONJSA-N 330.475 1.887 0 40 EDAB C[C@H](CO)N(C)S(=O)(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 1615585285 AKTMTDNYFQXRKQ-JIMOISOXSA-N 348.262 1.947 0 40 EDAB COc1ccc2c(n1)N(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)CC2 1616043737 GFIAFYNGBRAZRB-UKRRQHHQSA-N 328.372 1.281 0 40 EDAB CC[C@@](CNC(=O)C(=O)NCc1ccco1)(OC)c1ccccc1 96392033 CDUSIQGDXGJJBW-SFHVURJKSA-N 330.384 1.964 0 40 EDAB COc1nn(C)cc1C(=O)N1CC[C@@H](Oc2ccncc2Cl)C1 575605215 HWLQPHZZMNQGFE-SNVBAGLBSA-N 336.779 1.771 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@H](CNC(=O)c3cccnc3)CO2)C1 575405604 SORDXHJEBUCKCE-IIAWOOMASA-N 343.427 1.475 0 40 EDAB COc1ccc(C(=O)N2CC(F)(F)C[C@@]3(CCNC3=O)C2)cc1F 585093473 YONUTLOVIPPGAJ-HNNXBMFYSA-N 342.317 1.822 0 40 EDAB Cc1noc(C)c1CN1C[C@@]2(COCCN(CC(C)C)C2)CC1=O 585105001 XPICIKPTUZCNSU-GOSISDBHSA-N 335.448 1.998 0 40 EDAB O=C(NC1CC1)c1cnn2c1CN(C(=O)Cc1ccccn1)CCC2 585110908 YFPJGBPNZPGTLM-UHFFFAOYSA-N 339.399 1.145 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)cn1 585278793 GKOAWMYKDOJTCO-PBHICJAKSA-N 329.375 1.990 0 40 EDAB CN(C)C[C@@H]1CCn2nccc2CN1C(=O)Cc1cccc(F)c1 585097875 SLWIXUAIDYDPMU-INIZCTEOSA-N 330.407 1.927 0 40 EDAB CC(=O)N1CCC[C@H](NC(=O)c2nonc2C)[C@@H]1Cc1ccccc1 585280787 OYWBITHDDPDNKN-HOTGVXAUSA-N 342.399 1.730 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)CN1C(=O)CCOc2ccccc21 61661304 MZTWJYDVANFIAU-CQSZACIVSA-N 332.400 1.687 0 40 EDAB Cc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)c(=O)[nH]1 75119626 AZTNKMXWPVSGCV-UHFFFAOYSA-N 340.305 1.939 0 40 EDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cnn(-c2ccccc2F)c1 84456511 GMQVNVGQDICITQ-OAHLLOKOSA-N 345.378 2.000 0 40 EDAB O=S(=O)(NCc1cncc(Br)c1)N1C[C@H]2CC[C@H]1C2 1615552478 VKKYEINTDKRKMM-CABZTGNLSA-N 346.250 1.663 0 40 EDAB COc1ccc2c(c1)OC[C@H]([C@]1(O)C(=O)Nc3ccccc31)C2=O 5016105 KKTMNJKONDCQDS-UGSOOPFHSA-N 325.320 1.726 0 40 EDAB COC(=O)c1cc(NC(=O)c2n[nH]cc2Cl)cc(C(=O)OC)c1 5639683 WVTFWKRORDJSLU-UHFFFAOYSA-N 337.719 1.889 0 40 EDAB CCc1nn(CC(=O)NCC2CC2)c(=O)c2cc3ccsc3n12 12114282 FLUKBPLUBMQBRV-UHFFFAOYSA-N 330.413 1.799 0 40 EDAB O=C(NC[C@H]1CCCN(C(=O)c2cnccn2)C1)c1cccs1 12184882 QMCXDIREPYGFGP-GFCCVEGCSA-N 330.413 1.820 0 40 EDAB Cc1csc(=O)n1CC(=O)N1CCN(c2ccccc2F)CC1 12563026 BTCFXUUGEWMRPA-UHFFFAOYSA-N 335.404 1.706 0 40 EDAB CN1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 12864539 MHBJMBVESGBKRY-UHFFFAOYSA-N 333.407 1.452 0 40 EDAB CS(=O)(=O)N1CCc2cc(C(=O)NCc3cccnc3)ccc21 17168991 WUTNKODTMUJQID-UHFFFAOYSA-N 331.397 1.334 0 40 EDAB CC(C)S(=O)(=O)N1CCC[C@@H](c2ncc3c(n2)CCCC3=O)C1 19700193 MVHVLUKIKGOTTB-GFCCVEGCSA-N 337.445 1.913 0 40 EDAB CCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 169295062 GZJXQUIAUKSDDS-CRWXNKLISA-N 331.324 1.456 0 40 EDAB COc1ccc(C(=O)Nc2cnc(OC)nc2N2CCOCC2)cc1 206731126 NWUXXDUZLZBIKA-UHFFFAOYSA-N 344.371 1.583 0 40 EDAB COc1ccc(C(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)cc1OC 4505102 KQBZBDCOOSNEGB-OAHLLOKOSA-N 327.402 1.353 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCn3nccc3C1)C(=O)C2 238973086 ZPDAXGXVAOXQHF-BLLLJJGKSA-N 337.445 1.424 0 40 EDAB COc1cccc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 583619508 XTICAOZFMFOLRL-WBVHZDCISA-N 325.368 1.792 0 40 EDAB Cc1cc(C)nc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 1888844603 MXYVPICSWFYGNS-HOTGVXAUSA-N 336.395 1.715 0 40 EDAB CCc1nc(N2C[C@H]3CN(C(=O)C4CCC4)C[C@@H]3C2)nc(O)c1F 1888850289 LDNMPUSYAYNFAX-VXGBXAGGSA-N 334.395 1.578 0 40 EDAB O=C(c1cncc(O)c1)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888853273 LFHXTDLCTZNZEF-LBPRGKRZSA-N 340.383 1.996 0 40 EDAB Cc1nnc2ccc(N3CC(Cn4cc(Br)cn4)C3)nn12 1888881848 OULJNESNGMNAEM-UHFFFAOYSA-N 348.208 1.528 0 40 EDAB O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1cc2ccccc2oc1=O 238818217 BZHGWZUKRKNZIX-GFCCVEGCSA-N 337.335 1.164 0 40 EDAB COc1ccccc1S(=O)(=O)N1CC[C@H](Oc2nccs2)C1 245020833 MJEVXGAEIPQLDK-NSHDSACASA-N 340.426 1.994 0 40 EDAB C[C@H]1CN(c2ncnc3n[nH]cc23)CCN1Cc1ccncc1F 2087022422 BWTBZILTRVHWAZ-NSHDSACASA-N 327.367 1.598 0 40 EDAB COc1cnc(C(=O)N2CC[C@H]3CN(C(C)C)CCO[C@@H]3C2)nc1 1565546024 RBAYUIVBGAJJNJ-DZGCQCFKSA-N 334.420 1.057 0 40 EDAB Cc1cnc2c(c1Nc1ccc(F)c(F)c1)c(=O)n(C)c(=O)n2C 12226825 OSHPSDQQHGTWAJ-UHFFFAOYSA-N 332.310 1.962 0 40 EDAB CCc1cc2c(N3CC(C(=O)N4CCOCC4)C3)ncnc2s1 2298201388 ZDNZZURJPYHCCM-UHFFFAOYSA-N 332.429 1.549 0 40 EDAB Cc1ccc(S(=O)(=O)NCCC(=O)n2nnc3ccccc32)cc1 10462954 IYCUCVGZHMJKRN-UHFFFAOYSA-N 344.396 1.749 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCO1 40024403 SSDCRZYFBQBYNC-SECBINFHSA-N 325.308 1.995 0 40 EDAB CN(C)C(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 50275479 ABGRAUHKOMGUEF-UHFFFAOYSA-N 330.354 1.701 0 40 EDAB CC(C)C[C@@H](CNC(=O)Cn1nnc2ccccc21)N1CCOCC1 40489243 MHNADIBWVVULPP-HNNXBMFYSA-N 345.447 1.294 0 40 EDAB C[C@H]1CCCCN1C(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 40548791 HHXNIECJCIINOM-WFASDCNBSA-N 338.429 1.615 0 40 EDAB O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc2c(c1)CCO2 31936185 YZKHWVQRPWGDOI-GOSISDBHSA-N 348.468 1.559 0 40 EDAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1nnc2n1CCC2 32059075 LFGAVBUMXSJPKN-LBPRGKRZSA-N 326.400 1.797 0 40 EDAB Cn1ccc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1=O 51461359 PYYKMJASGJGOSZ-INIZCTEOSA-N 340.379 1.736 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1c[nH]c2ccccc2c1=O 32763853 LFCQBDIXGLUGOF-UHFFFAOYSA-N 333.351 1.543 0 40 EDAB Cc1cc(COC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)on1 21490132 JPZSUTNKXQZLOH-UHFFFAOYSA-N 336.369 1.662 0 40 EDAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccco1 32826383 PRWDDXYIDOEZFC-QWRGUYRKSA-N 347.337 1.409 0 40 EDAB CSc1nnc(SCCn2nc3ccccn3c2=O)s1 32815458 VPTIEIVLAUCUHC-UHFFFAOYSA-N 325.444 1.862 0 40 EDAB Cc1ccc(S(=O)(=O)c2ccc(CN(C)CC(N)=O)cc2)cc1 52831669 XZSWHKJLBDGROB-UHFFFAOYSA-N 332.425 1.745 0 40 EDAB CN(CC(N)=O)CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 52831129 YCHXHLBHNPISFI-IBGZPJMESA-N 343.402 1.791 0 40 EDAB NC(=O)C1CCN(CCCCNC(=O)COc2ccccc2)CC1 41652662 TUUNEQWDORYDBU-UHFFFAOYSA-N 333.432 1.159 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCCN1 53254750 BZCZLLPWIZBRIL-SNVBAGLBSA-N 349.250 1.488 0 40 EDAB CCS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(OC)cc1 39333 NKOJVBRAHNMOTI-UHFFFAOYSA-N 326.418 1.474 0 40 EDAB NC(=O)CC1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1 53890616 WDLKLIHSISSRFW-UHFFFAOYSA-N 335.370 1.375 0 40 EDAB C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)[C@@H](C)CO1 47528799 LIHLRJFHFJIPEA-UWVGGRQHSA-N 329.194 1.247 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CCCNC1=O)c1cnn(Cc2ccccc2)c1 95440784 DXOXVOGCIBGKPN-CJNGLKHVSA-N 341.415 1.570 0 40 EDAB COc1cccc(NC(=O)CN(C)C(=O)CCn2nc(C)cc2C)c1 24591561 MOBDVCNOZJRGAK-UHFFFAOYSA-N 344.415 1.996 0 40 EDAB C[C@H](OC(=O)c1nccnc1N)C(=O)NC[C@@H](C)c1ccccc1 24794575 STACVBWTNBIGPR-NEPJUHHUSA-N 328.372 1.524 0 40 EDAB O=C(NCCNc1ncccn1)N[C@@H]1CCN(Cc2ccccc2)C1 43239114 KRKIAYYNWJDNMZ-MRXNPFEDSA-N 340.431 1.462 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(F)c(F)c2)C1 57320230 BRJNUSMJPYGKQV-DGCLKSJQSA-N 340.370 1.968 0 40 EDAB CC(C)(C)NC(=O)CN1CCN(C(=O)Cc2ccc(F)cc2)CC1 25458783 TXTZTHQRFPUVRE-UHFFFAOYSA-N 335.423 1.427 0 40 EDAB CCCN(C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 107325733 MZNHBZVYHIIWDT-XDQVBPFNSA-N 330.519 1.949 0 40 EDAB C[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccccc1F 25957958 MZIZVVDPPVYEQI-ANYFNZRUSA-N 331.347 1.114 0 40 EDAB Cc1nn2c(nc(N3CCN[C@H](C(N)=O)C3)c3ccccc32)c1Cl 57388047 YGUKINQIJZMSLB-NSHDSACASA-N 344.806 1.108 0 40 EDAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCCc1cnn(C)c1 53970417 QMABPZWOEHKQLZ-SFHVURJKSA-N 342.443 1.462 0 40 EDAB O=S(=O)(NC[C@@H](O)c1ccsc1)c1ccc2c(c1)OCCO2 56906378 ZRDKZKLFTDOSKQ-GFCCVEGCSA-N 341.410 1.531 0 40 EDAB COc1cc(C(=O)NCc2cccc(C(N)=O)c2)cc2c1OCCO2 25333481 PAXNZPRRBHOUPY-UHFFFAOYSA-N 342.351 1.495 0 40 EDAB C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1ccc(Cl)cc1 48275560 OORDSVLLZKWKHL-LLVKDONJSA-N 347.868 1.982 0 40 EDAB NC(=O)CCCNC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 48232676 FWIXOHWXLBPKRN-UHFFFAOYSA-N 339.701 1.671 0 40 EDAB COC(=O)c1c(NC(=O)CN2CCC(O)CC2)sc2c1CCC2 44867568 VEKULWSVYVOYSN-UHFFFAOYSA-N 338.429 1.419 0 40 EDAB O=C(Nc1ccccn1)[C@H]1CCCN1S(=O)(=O)c1cccs1 58203543 SIROZPXNMNVRTD-LLVKDONJSA-N 337.426 1.935 0 40 EDAB NC(=O)CCSc1nnc(-c2ccncc2)n1CC(F)(F)F 58210953 KEPGXUQSXKQSBN-UHFFFAOYSA-N 331.323 1.870 0 40 EDAB CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CCO1 44966444 QJZRCQFMPGAELD-DGCLKSJQSA-N 341.433 1.215 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cnc1Cl 72301952 AWOZMHKCSKPOHL-NSHDSACASA-N 329.853 1.806 0 40 EDAB CCCNC(=O)Cn1c(-c2cccc(Br)c2)noc1=O 58343302 CWWDCLSBFRSTHZ-UHFFFAOYSA-N 340.177 1.792 0 40 EDAB C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCOCC1(C)C 58355901 KVJJOWRUUFWVPF-JTQLQIEISA-N 332.447 1.052 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)NCCc1cc(F)cc(F)c1 58329668 BULXVLPRABIQGZ-UHFFFAOYSA-N 343.337 1.842 0 40 EDAB C[C@@H](Sc1nncn1C)C(=O)N(C)Cc1nc2ccccc2[nH]1 58370350 PTYBTQUZKNKWDS-SNVBAGLBSA-N 330.417 1.831 0 40 EDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)Cc2cccnc2)C1 58332578 PTDWPCKQEODVIS-CQSZACIVSA-N 341.433 1.033 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCCc1nnc2n1CCC2 58308379 KNJQQVPQEBGDOQ-UHFFFAOYSA-N 344.463 1.595 0 40 EDAB CCONC(=O)CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 45013395 KUTRQGAAHVAOAN-SFHVURJKSA-N 345.399 1.833 0 40 EDAB Cc1cccc(OCCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 3329373 UZGOPVHLBZVNGN-UHFFFAOYSA-N 348.424 1.728 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)O)c1C 3351294 WZTVCDXECCEDTN-QWHCGFSZSA-N 327.402 1.129 0 40 EDAB CCCn1c(N)c(C(=O)CN2CCC[C@@H]3CCCC[C@H]32)c(=O)[nH]c1=O 36389728 YOQYIVCBJHNJAE-QWHCGFSZSA-N 348.447 1.366 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 48302410 CWPYVERXTQICDB-BHYGNILZSA-N 326.400 1.755 0 40 EDAB CN1CCN(c2cc(CNC(=O)N(C)Cc3ccco3)ccn2)CC1 45845667 AQYXWVCLZBERLX-UHFFFAOYSA-N 343.431 1.768 0 40 EDAB CCC[C@@H](C)NC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20450037 YIGFEXLZVJDWSH-BZYZDCJZSA-N 328.434 1.989 0 40 EDAB Cc1cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c2ccc(F)cc2n1 46196946 FVTPLDUMFOLCRO-LBPRGKRZSA-N 336.388 1.941 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)c(F)c1 46115997 AMNDWDNLBKIPAV-CQSZACIVSA-N 344.390 1.890 0 40 EDAB NC(=O)c1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2 3403898 VLWVCSKQTGNTAF-UHFFFAOYSA-N 328.324 1.574 0 40 EDAB CN(CCc1ccncc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 12148094 OJNGMPVKBQSYSS-UHFFFAOYSA-N 347.396 1.276 0 40 EDAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CNC(=O)[C@H]2C[C@@H]2C)c(C)c1 12934742 NKZQZQDCESWNCM-WFASDCNBSA-N 345.443 1.781 0 40 EDAB O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 6058603 JYWFPRIYMJJORP-UHFFFAOYSA-N 325.386 1.161 0 40 EDAB COC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 5054225 PJGOUOSPWNQNOQ-MRXNPFEDSA-N 344.327 1.222 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2nc3c(s2)CCCC3)CC1 13704669 IEKVLQGDPYAKOU-UHFFFAOYSA-N 343.474 1.632 0 40 EDAB Cc1nc2oc3c(=O)n(CC(N)=O)cnc3c2c2c1COC(C)(C)C2 13727699 LRFCHARVSHKFKK-UHFFFAOYSA-N 342.355 1.183 0 40 EDAB C[C@H]1CN(C(=O)NC2CCN(CCc3ccncc3)CC2)C[C@@H](C)O1 65592329 DZFXDNNWQXSGJK-IYBDPMFKSA-N 346.475 1.907 0 40 EDAB NC(=O)CCCNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 65565196 UCRVSDZLGOPAJL-NEPJUHHUSA-N 325.206 1.934 0 40 EDAB O=C(O)CNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 5395036 WSXPFWYYRGOSID-ZROIWOOFSA-N 325.324 1.053 0 40 EDAB biogenic O=C(c1ccccc1Cl)N1CCN(c2ccc3nnnn3n2)CC1 14246739 HFHOFAKHYJQTBW-UHFFFAOYSA-N 343.778 1.135 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCNC(=O)CC3)C2)cc1 65902726 IERNANNSSMWASY-INIZCTEOSA-N 343.427 1.196 0 40 EDAB COC(=O)[C@H](C)[C@@H](Sc1cc(NC(C)=O)ccc1N)C(=O)OC 4661248 ARLQEZDUAYYFOW-AMIZOPFISA-N 340.401 1.670 0 40 EDAB O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](CCO)C1 96007686 KNKPMLRLICBIMT-JTQLQIEISA-N 338.351 1.884 0 40 EDAB CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)CS(=O)(=O)N(C)C 96010536 HNJFSHSYSGLRKV-CVEARBPZSA-N 338.473 1.981 0 40 EDAB CCCCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 19619086 HUUZPYWQGFGYMR-UHFFFAOYSA-N 342.461 1.476 0 40 EDAB Cc1noc(CNC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)n1 66178831 XYJGWOJYJQNKKR-AWEZNQCLSA-N 343.387 1.541 0 40 EDAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)CO)c2)cc1 97203318 LZADVSCIDCREDM-CYBMUJFWSA-N 348.424 1.906 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(CCn2cccn2)C1 84304199 IVQAOYRZWKUMSD-OAHLLOKOSA-N 329.452 1.095 0 40 EDAB CC(C)NC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2cccc(F)c2)C1 66848601 DUNYIKMNAXVCSP-WFASDCNBSA-N 337.395 1.822 0 40 EDAB CC(=O)N1CCN(C(=O)CN2C[C@H](c3ccccc3)OC[C@H]2C)CC1 67228544 ZSUJUONYJRJRRS-CRAIPNDOSA-N 345.443 1.139 0 40 EDAB CCCNC(=O)CNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 80058034 QTNKJPMIDHMRJG-CYBMUJFWSA-N 338.839 1.744 0 40 EDAB Cc1nc(C(=O)O[C@@H](C)C(=O)NC2CC2)nn1-c1ccc(F)cc1 16398333 XLYODVWPEYEABN-VIFPVBQESA-N 332.335 1.539 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCC[C@@H]1[C@@H]1CCCc2ccccc21 83616701 PKWRLUDZVOBIOQ-HZPDHXFCSA-N 336.457 1.647 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCN(C/C=C/c2ccccc2)CC1 16440244 HEAQUWHHJSREAD-PFWMLDTASA-N 348.468 1.279 0 40 EDAB CCOC(=O)c1cccc(OC[C@H](O)CN2CCc3n[nH]cc3C2)c1 91078569 FQIAHUNLYJXGIM-OAHLLOKOSA-N 345.399 1.384 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N1CCCc3ccccc31)CC2 70008516 NBKFVAQPIRDBOB-OAHLLOKOSA-N 325.416 1.470 0 40 EDAB O=S(=O)(CCNC1(CO)Cc2ccccc2C1)Oc1ccccc1 70040583 DIGFPKKQQJFZHD-UHFFFAOYSA-N 347.436 1.515 0 40 EDAB CC(C)NC(=O)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 8318297 FFAIQPZWRUBUIC-CQSZACIVSA-N 347.415 1.829 0 40 EDAB CC(C)c1cc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)on1 69445172 ISEYOZXADQRKMT-ZDUSSCGKSA-N 333.392 1.334 0 40 EDAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1csnn1 69454897 CRGQHVSCYZEIST-UHFFFAOYSA-N 348.384 1.414 0 40 EDAB C[C@H](O)CCN(C)S(=O)(=O)c1ccccc1OC(F)(F)F 84637233 QBHATKSKFXGVNI-VIFPVBQESA-N 327.324 1.977 0 40 EDAB C[C@H](CN1CCOCC1)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 91513113 KQKDIKKLWSDVLH-CABCVRRESA-N 327.469 1.648 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)Nc2ccnn2C(C)C)n1 69511398 LAYICDJGBNPTBA-OAHLLOKOSA-N 345.451 1.775 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)Cn3cc(C)cn3)CC2)n1 69528318 MVSVKAYCUNCUNL-UHFFFAOYSA-N 344.419 1.037 0 40 EDAB CC(=O)N1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 69517353 WHRDDUUZGYVETG-AWEZNQCLSA-N 327.222 1.647 0 40 EDAB CN(Cc1ccccc1)C[C@H](O)CN1CCC[C@@H]1Cn1cncn1 69657878 WZMSVXJUALYVCH-MSOLQXFVSA-N 329.448 1.235 0 40 EDAB CCOC(=O)C(C)(C)N(C)C(=O)CNC(=O)Cc1cccc(F)c1 69740791 OQHCADLVQGYLJA-UHFFFAOYSA-N 338.379 1.285 0 40 EDAB CCC(CC)NC(=O)C[S@@](=O)Cc1cccc(C(=O)N(C)C)c1 69814290 GHPVEVZCMHPKNE-HSZRJFAPSA-N 338.473 1.942 0 40 EDAB CN(CC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)S(C)(=O)=O 69893600 KTHAUPIHLROJLU-OAHLLOKOSA-N 328.409 1.675 0 40 EDAB Cc1ccc(N2CCC[C@H](N(C)c3cc(C)nc4ncnn34)C2)nn1 69808275 LEPUIRYNMVRDLJ-AWEZNQCLSA-N 338.419 1.636 0 40 EDAB CCc1nnc2n1C[C@H](CNCC(=O)NCCc1ccsc1)CC2 69870084 AKOSYXUBQWUJMD-AWEZNQCLSA-N 347.488 1.413 0 40 EDAB Cn1cc(S(=O)(=O)NC(=O)CCc2cccc(F)c2F)cn1 69809927 YRHXXJFFCATIPP-UHFFFAOYSA-N 329.328 1.136 0 40 EDAB COc1ccc(CCNC(=O)[C@@H](C)N2CCc3c(ncn3C)C2)cc1 69875133 WUKJPSSUZIELTN-CQSZACIVSA-N 342.443 1.534 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)N3C[C@@H](C)C[C@@H](C)C3)nn12 18126326 BVIKNKLJSROLED-PHIMTYICSA-N 331.376 1.094 0 40 EDAB O=C1C[C@H](c2ccccc2)N2N=C(NC(=O)c3cccs3)NC2=N1 18206637 XGMLIPHXBAEVQN-LLVKDONJSA-N 339.380 1.682 0 40 EDAB CNC(=O)c1cc(C)ccc1N[C@H]1CCN(CC(F)(F)F)C1=O 97013073 JFSPUKXPVZWXCC-LBPRGKRZSA-N 329.322 1.930 0 40 EDAB CCOCC(=O)N[C@H](Cc1ccccc1)CN(C)C(=O)COCC 72287145 YZWIKRPARVWDOA-MRXNPFEDSA-N 336.432 1.245 0 40 EDAB NS(=O)(=O)c1cnn(-c2ccc(NC(=O)CC3CCCC3)cn2)c1 72292956 PTZXJSSJQXIHKT-UHFFFAOYSA-N 349.416 1.434 0 40 EDAB CC(C)[C@H](NC(=O)CN(Cc1cccnc1)c1ccccc1)C(N)=O 72287898 DJQIZMNSKYDISQ-SFHVURJKSA-N 340.427 1.714 0 40 EDAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269582 QHZHOGYWYRSXTC-IAGOWNOFSA-N 341.411 1.199 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)N[C@@H](CO)c1ccccc1 97162769 INAJZCPSQRNIHV-HNNXBMFYSA-N 334.322 1.544 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CCc2nccn2C1 97197394 GHCFOZUCAPDMFA-CYBMUJFWSA-N 337.383 1.114 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOC(C)(C)C2)c1 95973816 BTECXSZITRQYBC-GFCCVEGCSA-N 326.418 1.282 0 40 EDAB Cc1cnc(N2CCC(C(=O)NCCCN3CCCC3)CC2)nc1C 95978487 UJTPJNMUAJMUQY-UHFFFAOYSA-N 345.491 1.912 0 40 EDAB C[C@H](O)c1cn(C2CN(C(=O)C3(c4ccc(F)cc4)CCC3)C2)nn1 95998104 KQDZLRLMZCPIOT-LBPRGKRZSA-N 344.390 1.976 0 40 EDAB Cc1nc2n(c1CN1CCN(C(=O)C3=COCCC3)CC1)CCCC2 95988470 LEEGMACVLSZUNY-UHFFFAOYSA-N 344.459 1.866 0 40 EDAB Cc1sc(=O)n(CCC(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1C 75092545 IQGKTVWDHKLLNU-GDBMZVCRSA-N 332.425 1.691 0 40 EDAB Cc1cc([C@H](C)NC(=O)NCCCN2C(=O)CNC2=O)c(C)s1 89582396 XVXISDCCDZYDLA-JTQLQIEISA-N 338.433 1.667 0 40 EDAB O=S(=O)(NC[C@H](CO)Cc1ccccc1)c1ccc(Cl)nc1 89830151 NCVHLHWPZSJVPU-CYBMUJFWSA-N 340.832 1.865 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)N3CC[S@@](=O)C(C)(C)C3)ccc21 89919633 YIXAPMDXKGBITJ-QHCPKHFHSA-N 337.401 1.506 0 40 EDAB Cc1ccc(NC(=O)C[C@@H]2SC[C@H](C(=O)O)NC2=O)cc1Cl 20635156 LBCKTRXINOULKV-MNOVXSKESA-N 342.804 1.662 0 40 EDAB Cc1[nH]c(=O)n(-c2cc(Cl)cc(Cl)c2)c(=O)c1CC(=O)O 20156495 CPXNOIIAFNXRCZ-UHFFFAOYSA-N 329.139 1.768 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306128807 HKZISHLLWOMIEV-LSDHHAIUSA-N 332.400 1.505 0 40 EDAB C[C@@]1(CNC(=O)Cn2nnc3c2CCCC3)COc2ccccc2O1 529615304 OKXAYNCXYCDADS-GOSISDBHSA-N 342.399 1.503 0 40 EDAB CC(C)O[C@@]1(C)C[C@H]1NC(=O)c1coc(S(=O)(=O)N(C)C)c1 529969109 CVGNHUSTGIJJHH-RISCZKNCSA-N 330.406 1.216 0 40 EDAB O=C(Nc1nc2c(s1)C(=O)NCCC2)c1c[nH]c(=O)c(Cl)c1 211130902 QVQBJDDJUPAKPR-UHFFFAOYSA-N 338.776 1.413 0 40 EDAB CCn1cc(C(=O)N2CCC(O)(c3cccnc3F)CC2)c(C)n1 72340027 WVLZHHCWCGNRMM-UHFFFAOYSA-N 332.379 1.869 0 40 EDAB CN1CCC[C@@H](C(=O)NCc2ccccc2CN2CCCC2=O)C1 72880048 FTOKQJYNGVOEGE-QGZVFWFLSA-N 329.444 1.767 0 40 EDAB O=C(Nc1ccon1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70656011 BWFHSXVYYZFDSG-GFCCVEGCSA-N 339.359 1.505 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)NCc1cccnc1OC 30305506 JMLBSXSWOMYWFC-UHFFFAOYSA-N 334.397 1.814 0 40 EDAB Cc1nn2cnnc2c(C)c1CCC(=O)Nc1ccc(C(N)=O)cc1 71285411 XGFFOMZYQGLXNY-UHFFFAOYSA-N 338.371 1.411 0 40 EDAB O=C(NCCc1ccsc1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 189003390 QCIGUWDYCIPQFE-CVEARBPZSA-N 348.468 1.848 0 40 EDAB Cc1ccccc1OCCN(C)C(=O)[C@@H]1CCc2nnnn2CC1 568012187 LIYSZTGLUUBNNC-CQSZACIVSA-N 329.404 1.471 0 40 EDAB Cn1ncc(NCCc2ccc(S(C)(=O)=O)cc2)c(Cl)c1=O 78380830 CEXFUZIKYSYJJD-UHFFFAOYSA-N 341.820 1.492 0 40 EDAB CC(C)(CO)n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O 40388158 LJCAMRPMDOMDQQ-UHFFFAOYSA-N 335.367 1.834 0 40 EDAB O=C(CCNC(=O)C1(O)Cc2ccccc2C1)NCc1ccccc1 73210238 KPRANLFMSOWSAW-UHFFFAOYSA-N 338.407 1.339 0 40 EDAB CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C 78879509 SCGVEVKCGSRSQJ-CHWSQXEVSA-N 327.425 1.273 0 40 EDAB O=C(CC[C@H]1NC(=O)NC1=O)NCCSc1ccc(Cl)cc1 44870787 KVKJOYHSPFINLT-LLVKDONJSA-N 341.820 1.537 0 40 EDAB COC(=O)c1cc(I)c(=O)[nH]c1C(F)(F)F 225602529 PYGDNKGVXLLMDD-UHFFFAOYSA-N 347.030 1.785 0 40 EDAB Cc1c(Br)cccc1S(=O)(=O)NCc1ccnn1C 80715258 PXURJXAMOPXXNA-UHFFFAOYSA-N 344.234 1.970 0 40 EDAB O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H](c1ccccc1)c1cccs1 40476607 OUWPXDKNURKTCZ-WFASDCNBSA-N 343.408 1.942 0 40 EDAB O=C(O)[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(CF)CCC2)C1=O 570213047 ULBKLGKYPBLXJH-ZIAGYGMSSA-N 348.374 1.669 0 40 EDAB COCCN1C[C@@H](C(=O)Nc2cccc3c(O)nccc23)CC1=O 570604238 VEKWEOMSWNNXQV-NSHDSACASA-N 329.356 1.374 0 40 EDAB CN(CCc1ccccn1)S(=O)(=O)c1cccc2nsnc12 47214054 JAHYYRDXLUQHMZ-UHFFFAOYSA-N 334.426 1.950 0 40 EDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Br)c(C)c1 42646166 AUOPXQXCAZIISL-SECBINFHSA-N 329.194 1.583 0 40 EDAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)N1CCC(C(N)=O)CC1 226852656 DWZSOFKJGFVHNF-CYBMUJFWSA-N 342.399 1.364 0 40 EDAB O=C1CCCN1CCNS(=O)(=O)c1ccc(C(F)(F)F)nc1 574642763 AQFJMFMQJDARMO-UHFFFAOYSA-N 337.323 1.001 0 40 EDAB CNC(=O)CSc1nnc(NC(=O)c2cc(C3CC3)on2)s1 48984918 AYBIGMRUMHMERZ-UHFFFAOYSA-N 339.402 1.494 0 40 EDAB CCc1cnc(CN(C)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)s1 83214821 DPYBFXWPOZLQIH-OLZOCXBDSA-N 338.477 1.710 0 40 EDAB CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccoc3)C2)O1 96207504 VLZRJZJPWIXQPK-HUUCEWRRSA-N 328.434 1.342 0 40 EDAB c1cn2c(n1)CN(Cc1ccsc1)C[C@@H](CN1CCOCC1)C2 96188490 YTQHTIIIFNWMRJ-MRXNPFEDSA-N 332.473 1.909 0 40 EDAB C[C@@H](c1cccnc1)N1CCN(CC(=O)Nc2cccnc2)CC1 96424324 OIYGXZFIYATROH-HNNXBMFYSA-N 325.416 1.794 0 40 EDAB Cc1nc([C@@H]2CCN(CC(=O)NCc3ccc(Cl)cc3)C2)n[nH]1 583308611 BOABEOORZQPDMK-CYBMUJFWSA-N 333.823 1.872 0 40 EDAB Cc1cc([C@@](C)(O)CNC(=O)c2ccnc(-n3cncn3)c2)c(C)o1 96437502 JOCKHXJBCJMZFI-KRWDZBQOSA-N 341.371 1.510 0 40 EDAB CCc1cnc(N2CCN(CC(=O)Nc3c(C)n[nH]c3C)CC2)s1 96441509 BHQJKKLJTPIVTI-UHFFFAOYSA-N 348.476 1.806 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)NC2CCC2)C1 96038777 PNZRPLLZHPDYMS-SJLPKXTDSA-N 333.432 1.941 0 40 EDAB CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 583615136 HDQGWPLLRGBBEE-WCBMZHEXSA-N 348.325 1.753 0 40 EDAB CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)OC2(C)C)nc1C 96117043 GDGMZTDIEGKKDD-QMMMGPOBSA-N 326.374 1.908 0 40 EDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2nccs2)C1)N1CCCCO1 96065639 BUUNGMZWJBLEMU-BFHYXJOUSA-N 337.445 1.677 0 40 EDAB O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(Cc1cccnc1)C2 96216593 UTDOVSBZOUIQTP-QFBILLFUSA-N 338.411 1.494 0 40 EDAB CN(C)C(=O)N1CCC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96225036 KXLOMVAXIVRCAQ-INIZCTEOSA-N 331.376 1.313 0 40 EDAB CS(=O)(=O)[C@@](Cl)(Br)C(=O)c1cccc(N)c1 96518157 VEDJITJHDGQHHA-SECBINFHSA-N 326.599 1.784 0 40 EDAB Cc1cccc(CN2CC[C@@]3(CCN(C(=O)[C@@H]4CCOC4)C3)C2=O)c1 96159647 VENCPLGGPHTBKZ-XLIONFOSSA-N 342.439 1.983 0 40 EDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)Cc2ccsc2)cn1 96186511 CAYMADHHTDEYEP-HUUCEWRRSA-N 344.440 1.821 0 40 EDAB CN(C)C(=O)CN1CCC2(CCN(Cc3nccs3)CC2)C1=O 96046846 HETFANQSZVFRQR-UHFFFAOYSA-N 336.461 1.046 0 40 EDAB O=C(OCCn1ccccc1=O)c1ccc(-n2cncn2)c(F)c1 96441878 HEWMZAPKWBNKGY-UHFFFAOYSA-N 328.303 1.425 0 40 EDAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccco3)CC2)O1 96036737 CQBQIULATDQBNA-AWEZNQCLSA-N 330.388 1.112 0 40 EDAB Cc1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC(=O)N2CCCC2)o1 96041670 TYMRFMLGYZBNHG-YQVWRLOYSA-N 348.443 1.959 0 40 EDAB Cc1ccccc1CN1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCOCC2)C1 96253239 NKNILMREAVARLW-FGTMMUONSA-N 330.428 1.443 0 40 EDAB CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@H](C)OCC(C)C 585113819 UCHTYOKRMQELNF-WOSRLPQWSA-N 336.436 1.400 0 40 EDAB C[C@@H](CO)NC(=O)Nc1cn(-c2ccccc2C(F)(F)F)nn1 585119872 YDHQDDLPAYLZLI-QMMMGPOBSA-N 329.282 1.788 0 40 EDAB CN(C)c1ncc2c(n1)[C@]1(CCN(C(=O)c3ccccc3)C1)COC2 96100223 ZLGIQTVCDMZMGA-IBGZPJMESA-N 338.411 1.857 0 40 EDAB O=C(C1CC1)N1CCC[C@H](C(=O)N2C[C@@H]3CN4CCCC[C@H]4[C@@H]3C2)C1 245289857 FTBSGHCCYDCLDL-FJIDUMEYSA-N 345.487 1.578 0 40 EDAB CNC(=O)c1cc(C[C@@H]2CCCN(c3ccncn3)CC2)ncn1 257286530 PLYFMLYYFRDISF-CYBMUJFWSA-N 326.404 1.475 0 40 EDAB CCOc1cccc([C@H](O)CN(C)C(=O)c2cc(O)nc(C)n2)c1 257236041 HAOIEYGUDBMMHX-OAHLLOKOSA-N 331.372 1.695 0 40 EDAB CCOC(=O)CCC(=O)N1CC[C@H](Oc2ncnc(CC)c2F)C1 253473061 RESMWBJRMCSCGM-NSHDSACASA-N 339.367 1.501 0 40 EDAB O=C(N[C@@H]1CCCNC1=O)c1ccc(Cc2ccccc2F)nc1 257247919 JBEABJRJRDKYNX-MRXNPFEDSA-N 327.359 1.820 0 40 EDAB Cc1cn(C)c([C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1 257327360 XBBMPMOJDIWHQI-INIZCTEOSA-N 349.456 1.706 0 40 EDAB CCN(C(C)=O)[C@@H]1CCOC2(CCN(C(=O)c3cnn(C)c3)CC2)C1 257260066 LBEOMCLIZTXOJO-MRXNPFEDSA-N 348.447 1.442 0 40 EDAB Cc1cnn(CC(=O)N2CCC(c3cc(O)n4nccc4n3)CC2)c1 257226380 FKKUQPOWGIDQBP-UHFFFAOYSA-N 340.387 1.346 0 40 EDAB COC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1sccc1C)C2 253598206 BOOMQACKUKIVGT-LLVKDONJSA-N 329.443 1.332 0 40 EDAB CN1C(=O)CCC[C@H]2CN(Cc3cccc(OCCO)c3)CC[C@H]21 257336194 YNMSTTCRWJVZEI-FUHWJXTLSA-N 332.444 1.891 0 40 EDAB Cc1nccc([C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1 257320344 VWJMHPPMXLQOHO-HNNXBMFYSA-N 325.434 1.821 0 40 EDAB COc1ncc(CN2CC3(CO[C@H](Cc4cncnc4)C3)C2)cn1 257237857 HIMXEDDBGQQUBZ-OAHLLOKOSA-N 327.388 1.109 0 40 EDAB COc1cc(S(=O)(=O)N2CCC[C@@H](CC(=O)O)C2)ccc1F 276222620 MDPAZQURWOQXLX-JTQLQIEISA-N 331.365 1.710 0 40 EDAB CN(C)c1nc(N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)nc2ccccc12 1615059282 ZFHKSNOGXWILGL-ZIAGYGMSSA-N 337.431 1.360 0 40 EDAB CCN(C)C(=O)CNc1cccc(S(=O)(=O)NCCC(C)C)n1 1615050845 DKJYNNQDMTXWPS-UHFFFAOYSA-N 342.465 1.296 0 40 EDAB O=C(NC[C@H]1COC[C@H]1O)c1ccnc(OCc2ccccc2)c1 1616038701 OBYQWGTUPZSLNZ-JKSUJKDBSA-N 328.368 1.398 0 40 EDAB COc1ccccc1[C@H](CNC(=O)C(=O)NCc1ccco1)OC 96385108 WJFBDUWZTKNGQR-HNNXBMFYSA-N 332.356 1.408 0 40 EDAB COc1cccc(CC(=O)N2CC[C@@H](Oc3ncc(F)cn3)C2)c1 390827740 JQTRXCRUBPLRSI-OAHLLOKOSA-N 331.347 1.847 0 40 EDAB COc1ccc(CCNC(=O)N2CC[C@H](Oc3ccncn3)C2)cc1 575610985 RAMTZACDAMEOSQ-INIZCTEOSA-N 342.399 1.891 0 40 EDAB CO[C@@H]1CCN(Cc2ccncc2C)C[C@H]1CC(=O)N1CCOCC1 585277209 NGFKVHSFTHGWBK-QZTJIDSGSA-N 347.459 1.476 0 40 EDAB CC(C)(C)n1nnc(CS(=O)(=O)Cc2c(F)cccc2F)n1 585090675 OQFJLRSFHBNGGH-UHFFFAOYSA-N 330.360 1.821 0 40 EDAB C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)O)C1=O 37011697 VSLWZARQHIUHNH-GFCCVEGCSA-N 327.134 1.301 0 40 EDAB O=C1NC2=C(C(=O)N(CCN3CCCC3)C2)[C@H](c2ccccc2)N1 72346475 IDQGRTWCGGYFNR-INIZCTEOSA-N 326.400 1.233 0 40 EDAB CC(C)N1C(=O)N[C@@]2(CCN(Cc3nc4ccccc4o3)C2)C1=O 84597423 XYHXNRKVQSLLOW-QGZVFWFLSA-N 328.372 1.733 0 40 EDAB O=C(NCc1cc[nH]n1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 84538998 XJRHGPFZFJNZDB-IRXDYDNUSA-N 341.415 1.205 0 40 EDAB COC(=O)c1ccccc1C(=O)N1CC[C@H](Oc2cccnn2)C1 220242327 DJBFPKJSCBULNU-LBPRGKRZSA-N 327.340 1.557 0 40 EDAB CO[C@H]1[C@H](CNC(=O)c2cn3c(C)cccc3n2)COC[C@H]1OC 1615128863 KGRYQLSFSAPNNK-XPKDYRNWSA-N 333.388 1.049 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)c2ccc(O)nc2)CCO1 1615142864 CUKORYOOVWLBMZ-LJQANCHMSA-N 342.395 1.542 0 40 EDAB O[C@@H]1CO[C@H](c2nn(-c3ccccc3)c3nc4ccccc4nc23)[C@@H]1O 5496160 QTWIDAWUZRIGSF-ZTFGCOKTSA-N 348.362 1.762 0 40 EDAB COC(=O)[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1c1ccc(F)cc1 12157292 BTCCZNUSIOIILM-KGLIPLIRSA-N 329.331 1.645 0 40 EDAB Cc1nc(C)n(CCNC(=O)[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C)n1 12195748 KLBWSIDIAVXKJU-HWPZZCPQSA-N 345.378 1.589 0 40 EDAB CC[C@H](C(=O)NCCOC)N(c1ccc(C)cc1)S(C)(=O)=O 13713009 NSJZBCHIUIBTEY-CQSZACIVSA-N 328.434 1.302 0 40 EDAB Cc1c(-c2cc(C(=O)N3CCCC[C@@H]3CN(C)C)no2)cnn1C 19554056 QZIHDYZXZNKYCP-CYBMUJFWSA-N 331.420 1.940 0 40 EDAB COc1cccc(/C=N/NC(N)=O)c1OCc1ccc(C(=O)O)cc1 8169013 JEBPCRYFNWGPSR-DJKKODMXSA-N 343.339 1.975 0 40 EDAB O=C(N/C(=C/c1ccccc1)C(=O)N1CCNCC1)c1ccccc1 1612833 BTYHARCYXAXIJA-OBGWFSINSA-N 335.407 1.889 0 40 EDAB CN(C)Cc1ccoc1C(=O)NCCNC(=O)c1ccc(F)cc1 521395324 CWYPHUNXLMXUOT-UHFFFAOYSA-N 333.363 1.640 0 40 EDAB COc1cccc(CCC(=O)N2CCOC[C@]23CCOC3)c1OC 548845615 INRPPLZWQIEIBT-GOSISDBHSA-N 335.400 1.654 0 40 EDAB NC(=O)CCSc1nnc(N2CCOCC2)n1-c1ccccc1 10376869 ISAKJMMHJIFPDE-UHFFFAOYSA-N 333.417 1.071 0 40 EDAB Cc1cccn2c(=O)c3cc(C(=O)NC[C@@H]4CCCO4)n(C)c3nc12 2917306 BTVJZMRLFSGBIJ-LBPRGKRZSA-N 340.383 1.403 0 40 EDAB C[C@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)c1c[nH]c2ccccc12 11005039 DYODDLASOFQWBD-WDEREUQCSA-N 335.381 1.717 0 40 EDAB CCCCn1c(N)c(N(CCC)C(=O)C2CCCC2)c(=O)[nH]c1=O 7723761 SZTVEZYCJFLGSC-UHFFFAOYSA-N 336.436 1.852 0 40 EDAB Cn1cc(C(=O)N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)cn1 1888853740 BCUKEIPCXSUOHM-GFCCVEGCSA-N 327.388 1.629 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)NCCCO)[C@@H]1c1ccc(OC)cc1 1848356673 BHRCCGXFHRBNHJ-WBVHZDCISA-N 334.416 1.493 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(Cc2cccc(F)c2)n1 1848353784 HTRHLEYRPSDCFU-HNNXBMFYSA-N 348.399 1.728 0 40 EDAB O=C1CN(CCOc2ccc(Cl)cc2Br)CCN1 26295431 VSDILYNCWMPNCP-UHFFFAOYSA-N 333.613 1.913 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037909016 MERNHPJNBMCJFA-SFHVURJKSA-N 347.390 1.914 0 40 EDAB O=C(c1cc[nH]c1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1074248961 PCRGTBIAAVSXHE-IRXDYDNUSA-N 326.400 1.525 0 40 EDAB O=C([C@H]1CN(Cc2cncs2)CCO1)N1CCC(F)(F)CC1 2086923671 PROVUBDNVOPYJG-GFCCVEGCSA-N 331.388 1.602 0 40 EDAB Cc1noc(CC(=O)N2CCn3c(-c4cccs4)cnc3C2)n1 1565556515 LVMDQPPXILWPMV-UHFFFAOYSA-N 329.385 1.888 0 40 EDAB COC(=O)c1sccc1NC(=O)Cn1nnc(-c2ccccc2)n1 1424519 UFRQQUOIJQKZSO-UHFFFAOYSA-N 343.368 1.827 0 40 EDAB CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc(C)c1C 4107533 GDUBPCFDUKICPU-AWEZNQCLSA-N 326.418 1.181 0 40 EDAB O=c1c2cnn(CCO)c2ncn1Cc1ccc(Cl)c(Cl)c1 4940568 KLUOTHRINWYRJK-UHFFFAOYSA-N 339.182 1.940 0 40 EDAB COc1ccccc1CN1CCC[C@](C(=O)N(C)C)(n2cccn2)C1 2055772108 XRWBWMQXVDDXLM-IBGZPJMESA-N 342.443 1.971 0 40 EDAB COc1cc(C(=O)N2Cc3cn(C)nc3[C@H](COCC3CC3)C2)on1 2055751111 JIWSFTYOJBCNCZ-ZDUSSCGKSA-N 346.387 1.583 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2ccc(C)cc2)CC1 2055746523 RVHZRSVOKXKZNN-UHFFFAOYSA-N 341.459 1.921 0 40 EDAB Cc1noc(C)c1CN(C)C1CN(c2ccc3nnc(C)n3n2)C1 585607232 PDNIXFOJXBEIIC-UHFFFAOYSA-N 327.392 1.358 0 40 EDAB Cc1sc2ncnc(N3CC(C(=O)N4CCOCC4)C3)c2c1C 2298199221 YODVCNXKZIEAJK-UHFFFAOYSA-N 332.429 1.603 0 40 EDAB COC(=O)Cn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(C)ccc21 101337890 SUYSPBYXNUIKGC-MSUUIHNZSA-N 344.396 1.659 0 40 EDAB CCOC(=O)Nc1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 40548991 BTQCXNVATXEYAP-AAEUAGOBSA-N 333.388 1.981 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N2CCc3ccccc3C2)no1 40528896 GUICVAYKHOVRKJ-UHFFFAOYSA-N 334.397 1.483 0 40 EDAB Cc1nnc2ccc(N3CCC(C(=O)Nc4nccs4)CC3)nn12 20725181 WNEWKRWDDPHHIJ-UHFFFAOYSA-N 343.416 1.744 0 40 EDAB CN(C)[C@@H](CNc1c(NCc2ccncc2)c(=O)c1=O)c1ccco1 101691446 DEYFQUYICWLUCY-ZDUSSCGKSA-N 340.383 1.598 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)cc1 32675405 INUOWAKFSIVXSO-UHFFFAOYSA-N 334.401 1.125 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2OC(F)(F)F)C1 32832451 FJVMJJFFCMUHPW-LLVKDONJSA-N 345.321 1.992 0 40 EDAB Cn1cc(CCCNC(=O)c2cccc(N3CCCC3=O)c2)cn1 102622915 ZQGLEYDYJBKYBN-UHFFFAOYSA-N 326.400 1.910 0 40 EDAB CC(C)(C)c1nc(CN2CCC[C@@H](NS(C)(=O)=O)C2)cs1 52671714 JJIIMLCKRZAJRH-LLVKDONJSA-N 331.507 1.954 0 40 EDAB O=C(NCCN1CCCS1(=O)=O)[C@@H]1CCCC[C@H]1C(F)(F)F 61597633 OMXLXOVRYKHDEP-GHMZBOCLSA-N 342.383 1.507 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCSC(F)(F)F 53571009 YNVWGXKFVKOAED-UHFFFAOYSA-N 342.364 1.625 0 40 EDAB CCN(C)c1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)N(C)C)c1 77729003 VECOILSUECKDPQ-INIZCTEOSA-N 334.464 1.784 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCO[C@H]2CCCC[C@H]21 53617157 ZPXOOOGLNUKZDY-NEPJUHHUSA-N 349.412 1.735 0 40 EDAB Cc1ccc([C@@H](NC(=O)CN2CCN(CCO)CC2)C2CC2)cc1 42287245 CLJOSJRDASGYKY-LJQANCHMSA-N 331.460 1.172 0 40 EDAB O=C(NCCNC(=O)c1ccc(Br)o1)c1ccco1 23042417 JDBXIUFRRIWEDM-UHFFFAOYSA-N 327.134 1.795 0 40 EDAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1OC 6847527 NSLZZAZISRNRBN-CCKFTAQKSA-N 348.443 1.857 0 40 EDAB biogenic O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(-n2cnnn2)c1 24016154 BNFOBHPAGBQQCT-UHFFFAOYSA-N 347.338 1.011 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2ccc(N(C)C)cc2)NC(=O)NC1 12554546 AUIHCVOBOWDDBB-UHFFFAOYSA-N 347.371 1.039 0 40 EDAB COCCNC(=O)C(=O)NCCOc1ccc(-c2ccccc2)cc1 59417409 HDYKSMHCAJODKP-UHFFFAOYSA-N 342.395 1.611 0 40 EDAB CC(=O)Nc1ccc(C)c(S(=O)(=O)NCC[C@H]2CCCO2)c1 24433437 OPFDRYIENSDSID-CQSZACIVSA-N 326.418 1.801 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cccc2cn[nH]c12 24685819 RMYKDKPDRCCKOK-LBPRGKRZSA-N 336.417 1.107 0 40 EDAB Cc1ccsc1C(=O)N1CCC2(CC1)CC(NS(C)(=O)=O)C2 108531260 RHPBZLMYINSPQF-UHFFFAOYSA-N 342.486 1.991 0 40 EDAB C[C@H](NC(=O)Cc1cccc(F)c1)c1ccc(S(N)(=O)=O)cc1 12594691 JYGXWZGAFZKXON-NSHDSACASA-N 336.388 1.893 0 40 EDAB COc1cccc(CNC(=O)N2CCC(CC(N)=O)CC2)c1OC 56445069 JVRKIGGCYLNOAB-UHFFFAOYSA-N 335.404 1.501 0 40 EDAB Cc1ccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1Cl 9156973 VXCJIEOGNBDFQI-UHFFFAOYSA-N 331.763 1.537 0 40 EDAB CC(=O)NCCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 12623090 CATNHOAZHYIKMK-UHFFFAOYSA-N 344.337 1.275 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@H](c1cccc(F)c1)NC(=O)N2 35590211 ZFUTUHFFDUIAQQ-HNNXBMFYSA-N 333.363 1.703 0 40 EDAB COc1ccccc1N[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 57748150 RDFCMDBCWSLMHU-NEPJUHHUSA-N 326.418 1.141 0 40 EDAB CSCC[C@@H]1NC(=O)N(Cc2nc(CCC(C)C)no2)C1=O 75147234 IWSXFKQFJYPEAD-JTQLQIEISA-N 326.422 1.832 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)CCN2CCOc1ccccc1F 27550031 MYJXHWMYVITMBD-UHFFFAOYSA-N 336.388 1.915 0 40 EDAB COC(=O)c1ccc2c(=O)n(CC(C)(C)CN(C)C)c(=O)[nH]c2c1 12741986 VLICMTWVRAELGX-UHFFFAOYSA-N 333.388 1.064 0 40 EDAB CN(CC(=O)Nc1cc(Cl)ccc1O)[C@H]1CCS(=O)(=O)C1 58247370 DJHHVBIBXXDQHV-JTQLQIEISA-N 332.809 1.103 0 40 EDAB CO[C@@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 44967894 HKOJVDRHHDBVJZ-INIZCTEOSA-N 341.415 1.696 0 40 EDAB Cc1ccc(OC[C@H](O)Cn2nc(C)c3c(C)onc3c2=O)cc1 58332814 PPINTWURWHMCRY-CYBMUJFWSA-N 329.356 1.750 0 40 EDAB Cc1nc(CCNCc2c(C)nn(C)c2N2CCOCC2)cs1 58392984 GVXPJQYRPLENDD-UHFFFAOYSA-N 335.477 1.662 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)CCO1 28036346 GGNYYENAQZXDCM-SNVBAGLBSA-N 344.820 1.634 0 40 EDAB CN1CCN(CCNC(=O)Nc2nncs2)[C@H](c2ccccc2)C1 48333334 HNBBTRNXXXCTLN-AWEZNQCLSA-N 346.460 1.648 0 40 EDAB O=C(NCCCc1nnc2ccccn12)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 89878859 MYJFEQGGEDFYGM-KFWWJZLASA-N 343.431 1.919 0 40 EDAB C[C@H]1CN(CCCNC(=O)c2n[nH]c(=O)c3ccccc23)C[C@@H](C)O1 23509267 LOBJSLPFXRBJPC-BETUJISGSA-N 344.415 1.152 0 40 EDAB CN(Cc1ccco1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 29433541 MBIMWTBMWNAGHC-OAHLLOKOSA-N 326.356 1.358 0 40 EDAB COc1cc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)ccc1C 29193392 PLJOSAUWSGAXEH-ZDUSSCGKSA-N 326.418 1.157 0 40 EDAB NC(=O)C1CCN(C[C@@H](O)COCc2ccccc2Cl)CC1 2654560 UNJGLDTXMQXOBF-CQSZACIVSA-N 326.824 1.415 0 40 EDAB Cc1nccc(CNC(=O)N2CCC[C@@H](Cc3nccn3C)C2)n1 95424337 QBNZOPCUDOODST-AWEZNQCLSA-N 328.420 1.683 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2occc2C)NC(=O)N[C@H]1CC 12935902 NOYMGGDTULNGFS-JTQLQIEISA-N 336.344 1.653 0 40 EDAB CC(=O)N[C@H](C)C(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 12925604 BRSNJJLBHQVKBF-SECBINFHSA-N 345.321 1.076 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccnc(S(C)(=O)=O)n2)C1 66055282 AZKAARBNMFKYAA-NSHDSACASA-N 341.433 1.995 0 40 EDAB O=C(NCCc1ccc(O)cc1)C(=O)Nc1cccc2nsnc12 13719630 QPRGETFZXBCEQQ-UHFFFAOYSA-N 342.380 1.694 0 40 EDAB CC1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-n3cnnn3)cc2)CC1 5103090 DHBZGQNZKJQFQE-ZDUSSCGKSA-N 343.387 1.466 0 40 EDAB Cc1nc2cc(NC(=O)Cn3cnnn3)ccc2n1-c1ccccc1 65564603 RTHWTGPSQRFSNJ-UHFFFAOYSA-N 333.355 1.959 0 40 EDAB C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(N)=O 6485789 FBEKWFPCVFGTGG-NSHDSACASA-N 348.380 1.518 0 40 EDAB C[C@@H](NC(=O)Cc1cc(F)ccc1F)C(=O)N1CCSCC1 95403517 IIQJUDNPKWYJCO-SNVBAGLBSA-N 328.384 1.587 0 40 EDAB O=C(CCNC(=O)[C@H]1COc2ccccc2C1)Nc1cccnc1 66099074 KXRQZGXWOYVJHA-CQSZACIVSA-N 325.368 1.778 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(Cc2ccco2)C1 6947627 NGTQVPZKWGWQKB-LLVKDONJSA-N 328.324 1.996 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 7001101 UZMDUFYVCGFZBI-UHFFFAOYSA-N 342.351 1.470 0 40 EDAB COCCn1c(C)cc(C(=O)COC(=O)c2cc[n+]([O-])cc2)c1C 7653482 XYGHFPSUWMHILY-UHFFFAOYSA-N 332.356 1.424 0 40 EDAB C[C@@H](CNC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)[S@](C)=O 110697436 KSVWQCIKRXFBNF-QONUSYMYSA-N 329.388 1.031 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N1c3ccccc3CC[C@H]1C)CC2 71879339 CIBNNONSLLHSDZ-CZUORRHYSA-N 339.443 1.859 0 40 EDAB CC(C)CNC(=O)CNC(=O)Cc1ccccc1Br 71803783 UNXDUTVAQZHAHV-UHFFFAOYSA-N 327.222 1.880 0 40 EDAB CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc2cn[nH]c12 71889656 MFUDQOIGLINEJY-MRXNPFEDSA-N 336.395 1.992 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CCO1 81246209 LPEGCASIOJQTBZ-CYBMUJFWSA-N 326.418 1.202 0 40 EDAB CNS(=O)(=O)c1ccc(N2CC[C@H](c3ccc(OC)cc3)C2)nc1 71894267 HAKFKGJHBCABKL-AWEZNQCLSA-N 347.440 1.992 0 40 EDAB CCCCOC(=O)[C@H](C)OC(=O)c1cccc(NS(C)(=O)=O)c1 71922239 USAZXFPFZMNUBN-NSHDSACASA-N 343.401 1.947 0 40 EDAB C[C@@H]1SCCN(C[C@H](O)CN2CCOCC2)[C@H]1c1ccccc1 71911252 MWWAIQYUTKDPAC-CGTJXYLNSA-N 336.501 1.858 0 40 EDAB CN(C)c1ccccc1NC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 70007171 YPTBDZKJIYZWAV-CQSZACIVSA-N 347.463 1.462 0 40 EDAB Cc1nc(COc2ccc(CN[C@@H]3CCc4ncnn4C3)cc2)no1 69491647 JONSHWIIWHWOGI-CQSZACIVSA-N 340.387 1.653 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2CCO[C@H](Cn3cc(C)cn3)C2)c1 69445562 YWMPLOAAFWTFDC-HKUYNNGSSA-N 345.443 1.641 0 40 EDAB C[C@H]1CN(Cc2nnc(-c3ccco3)o2)CCN1Cc1nccn1C 69443608 JGTUTVCJLPIZBS-ZDUSSCGKSA-N 342.403 1.769 0 40 EDAB O=C(CCc1ccccc1)NCC(=O)Nc1ccc(-n2cncn2)cc1 69569418 QMFQMLNAGVQOKX-UHFFFAOYSA-N 349.394 1.955 0 40 EDAB COc1ccc(C)cc1C1(CNC(=O)[C@H]2CCC(=O)N2)CCOCC1 69654448 LYAALHPAWOFSOC-OAHLLOKOSA-N 346.427 1.447 0 40 EDAB CC1CCC(NC(=O)COc2ccc(CC(=O)NCCO)cc2)CC1 69630163 SJHFSZRFXYWBNT-UHFFFAOYSA-N 348.443 1.411 0 40 EDAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@H](C)N2CCOCC2)C1 69877839 IRDHVTSPERYJQC-JKSUJKDBSA-N 334.464 1.891 0 40 EDAB COc1ccnc(NCc2cccnc2N2CCC(C(N)=O)CC2)n1 69876217 GXNHGTNIAVEMMT-UHFFFAOYSA-N 342.403 1.194 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)NCc2cccc(OC)c2)C[C@H]1C 69950690 LBYNKGFERFVPIL-CVEARBPZSA-N 349.475 1.352 0 40 EDAB O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(C(F)(F)F)nc1 97082806 YQFOPXURGKZJKB-VIFPVBQESA-N 347.322 1.505 0 40 EDAB CN1CCCc2ccc(S(=O)(=O)N[C@H]3CCCn4ncnc43)cc21 97014355 NPSIXBDQMTUVHY-AWEZNQCLSA-N 347.444 1.474 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2cccs2)[C@H]1c1ccccc1 72237873 KREUOBQILBFKSK-CVEARBPZSA-N 330.409 1.963 0 40 EDAB CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCOC2)c1 72275565 QJOVKFBIYRUDRT-LLVKDONJSA-N 329.393 1.917 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)CCOC[C@@H]3CCCO3)C2)no1 72232043 KUKPRSCPTGLRKI-KBPBESRZSA-N 337.420 1.924 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cc1n[nH]c(=O)c3ccccc13)C2 97199166 JVNWKMTYEIDEAI-GFCCVEGCSA-N 337.383 1.102 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CCN(CCO)CC1 97136126 SZEXLEGLPGNQDJ-AWEZNQCLSA-N 345.365 1.480 0 40 EDAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 306135181 OKHYOGIAVDUJEQ-PBHICJAKSA-N 330.428 1.559 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)N2CCc3cnccc32)s1 72314032 KDFZQJKYHOKCPK-UHFFFAOYSA-N 337.426 1.531 0 40 EDAB CCOC(=O)[C@H](C)OC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 72305092 GMZRJXAYNRBGDQ-VIFPVBQESA-N 336.344 1.712 0 40 EDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc2ncccc2c1 72300526 BBNVVCUYHWYDHB-CJNGLKHVSA-N 333.457 1.994 0 40 EDAB Cc1nc(NC(=O)CN2CCc3ncnc(N(C)C)c3C2)sc1C 97202560 REHYENNZWJEPLU-UHFFFAOYSA-N 346.460 1.613 0 40 EDAB CCO[C@H]1C[C@H](NC[C@H]2CCCN2S(C)(=O)=O)C12CCCC2 95988131 VIFWUQFTWQOPFD-ILXRZTDVSA-N 330.494 1.738 0 40 EDAB C[C@H](NCC(=O)N1CCNC(=O)C1)c1cccc(Br)c1 95984427 QLQHJAALOKRLPV-JTQLQIEISA-N 340.221 1.058 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NC1(C(=O)O)CCCCC1 95948853 XKKXHBDSNQJYNP-UHFFFAOYSA-N 339.413 1.916 0 40 EDAB C[C@H](CCn1cncn1)NC(=O)c1ccc(Br)c(O)c1 95979004 MPLYXZYCQRXNDJ-SECBINFHSA-N 339.193 1.955 0 40 EDAB CC(=O)N1CCN(Cc2ccc(NC(=O)c3ccon3)cc2)CC1 95991541 JVBNTJCJAJQYEA-UHFFFAOYSA-N 328.372 1.591 0 40 EDAB COC(=O)c1coc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)c1 95940189 UWVVZIODFDGQBK-CQSZACIVSA-N 338.404 1.543 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)c1cccc(N2CCCS2(=O)=O)c1 89938639 JTXXPNRCAHYQTF-CYBMUJFWSA-N 337.445 1.003 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)NCc1nnc2n1CCCC2 76046742 GUHCCGKXXUTQJW-QWHCGFSZSA-N 345.451 1.899 0 40 EDAB Cc1noc(C)c1C[C@H](C)C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 76053979 IJXIYWFMEYNOFO-OGHNNQOOSA-N 335.448 1.649 0 40 EDAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C(N)=O)c1ccc(F)cc1 76056461 ANVGTZNQWJCNRU-LYRGGWFBSA-N 333.407 1.589 0 40 EDAB C[C@H](NC(=O)c1nccnc1C(=O)O)c1nc(-c2ccccc2)no1 72401371 ODHRVTXWILQLGE-VIFPVBQESA-N 339.311 1.716 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)c(C)c1 409288989 DGOHCJHZRVLPOS-MMMWYMCRSA-N 341.363 1.489 0 40 EDAB CCc1ccccc1S(=O)(=O)N1CCOC[C@@H]1c1nnc(C)o1 517491544 ZUBHWNLWMAJZQM-CYBMUJFWSA-N 337.401 1.703 0 40 EDAB O=CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1 521394416 UBYRHDPKSDYTMB-UHFFFAOYSA-N 347.234 1.302 0 40 EDAB CSCC[C@@H](NC(=O)CCn1cnnn1)c1nc2ccccc2[nH]1 524732677 VOIOOTUOMSSGCF-CYBMUJFWSA-N 345.432 1.550 0 40 EDAB CC(=O)Nc1ccccc1OCc1noc(C(=O)NCC(C)C)n1 36357870 AOBLMUBAEZGPHI-UHFFFAOYSA-N 332.360 1.993 0 40 EDAB O=S(=O)(C1CC1)N1CCN(c2ccc(Br)cn2)CC1 173026407 BRQSRQCWIIYFFW-UHFFFAOYSA-N 346.250 1.458 0 40 EDAB COc1ccccc1CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 30585870 IGFJAXIWWLQRTF-UHFFFAOYSA-N 339.351 1.015 0 40 EDAB Cc1nc(CCC(=O)NCc2ccncc2)cc([C@H]2CCCN2)n1 72366931 XWHYKFBPODQRIC-MRXNPFEDSA-N 325.416 1.854 0 40 EDAB CN(C)c1c[nH]ccc1=NC(=O)N[C@H]1c2ccccc2OC[C@H]1CO 1548453684 YSEBCWXFDQEPBD-SJKOYZFVSA-N 342.399 1.433 0 40 EDAB CC(=O)OC(C)(C)C(=O)NC[C@](O)(c1ccccc1)C1CCOCC1 675007789 PVSVDCWLZAFSFI-IBGZPJMESA-N 349.427 1.759 0 40 EDAB COCCNc1ncnc2c1CCN(C(=O)Cc1ccsc1)CC2 72433425 HRBJZGKBSDGCSC-UHFFFAOYSA-N 346.456 1.766 0 40 EDAB C[C@@H](CCc1ccccc1)NC(=O)C1CN(C(=O)c2cnccn2)C1 70841985 BBIPVXTWXRQLPU-AWEZNQCLSA-N 338.411 1.686 0 40 EDAB CCC[C@H](C)Nc1ccc(S(=O)(=O)NCCO)cc1C(=O)O 217591832 SVUAMGNGVIRTEC-JTQLQIEISA-N 330.406 1.256 0 40 EDAB O=C(c1cc([C@@H]2CCCN(c3ncccn3)C2)n[nH]1)N1CCOCC1 72356371 IDSJSRFJKYDGOJ-CYBMUJFWSA-N 342.403 1.056 0 40 EDAB CC(C)(C)c1nc(CC(=O)NCCCN2C(=O)CNC2=O)cs1 78712822 MVXZZGLVHXWRCG-UHFFFAOYSA-N 338.433 1.041 0 40 EDAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1n[nH]c2ncccc12 40288148 MKUVLNZRNJCQPU-UHFFFAOYSA-N 329.747 1.866 0 40 EDAB Cc1cc(N2CCOCC2)nc(CNC(=O)Nc2ccccc2)n1 224181698 APWNYDQJVZGWLT-UHFFFAOYSA-N 327.388 1.943 0 40 EDAB C[C@H]1NC(=O)N(CCN2CCN(c3cccc4[nH]ccc34)CC2)C1=O 528761961 IJKOZQKCCWGVEA-CYBMUJFWSA-N 341.415 1.230 0 40 EDAB O=C(/C(=C\c1ccc(F)cc1)n1ccccc1=O)N1CCOCC1 199404227 XICOIZIWHPJFSD-DTQAZKPQSA-N 328.343 1.844 0 40 EDAB CCn1cc(CNC(=O)[C@]2(C)Oc3ccccc3NC2=O)c(C)n1 41546043 CDSHMKXFMFVFMS-KRWDZBQOSA-N 328.372 1.617 0 40 EDAB COc1cc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc2c1OCO2 85876677 CBIJSRALKPIMDJ-SNVBAGLBSA-N 329.308 1.862 0 40 EDAB biogenic CCc1cc(N2CCC(N3CCS(=O)(=O)CC3)CC2)nc(C)n1 195572346 NWLGMTWADUSYBE-UHFFFAOYSA-N 338.477 1.047 0 40 EDAB C[C@H]1Oc2ccccc2CN(c2ccc(S(N)(=O)=O)cc2)C1=O 85470771 KNASUDDMYXLHEJ-LLVKDONJSA-N 332.381 1.648 0 40 EDAB C[C@@H](NC(=O)NCCc1cn2ccccc2n1)c1nnnn1C1CC1 190739205 LNLUPJNIDGKFEF-LLVKDONJSA-N 340.391 1.259 0 40 EDAB COc1ccc(Cl)c(C(=O)N2C[C@@H]3COC[C@]3(CN(C)C)C2)c1 96110952 BOLLBWLPCXCDQS-PXAZEXFGSA-N 338.835 1.999 0 40 EDAB CCCCS(=O)(=O)N1Cc2ccnn2C[C@@H](c2nc(C)no2)C1 96067213 BUDZSSMXDRAPOU-LBPRGKRZSA-N 339.421 1.304 0 40 EDAB CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)Cc1ccoc1)C2 332131754 HDJQHZIFHDMYHN-UHFFFAOYSA-N 348.424 1.657 0 40 EDAB O=C(c1ccnnc1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 96042472 AHDQNHRWLRFDCL-ZACQAIPSSA-N 340.383 1.460 0 40 EDAB CCn1cc(S(=O)(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)cn1 579119166 SBIHDBYYTXPASI-CYBMUJFWSA-N 341.364 1.536 0 40 EDAB COc1cc(C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)ccn1 91846071 BWUNKGFSLVYXDY-UHFFFAOYSA-N 328.372 1.502 0 40 EDAB Cc1ccnc(OC[C@]23COC[C@H]2CN(C(=O)c2cscn2)C3)n1 96109128 NCSACBTZNXADDM-WBMJQRKESA-N 346.412 1.409 0 40 EDAB Cc1ccc(N2CC[C@@H](NC(=O)CNCC(F)(F)F)C2=O)cc1 96423910 SKFYFRYLDBUWCC-GFCCVEGCSA-N 329.322 1.368 0 40 EDAB COC[C@H]1CN(C(=O)COc2ccccc2C)Cc2cncn2C1 96208278 DQKCKAUUCSMVFW-HNNXBMFYSA-N 329.400 1.875 0 40 EDAB CCc1nc(CC)n(CC(=O)N[C@@H](C(=O)NC)c2ccccc2)n1 96475836 WSBXFYXTECKPES-MRXNPFEDSA-N 329.404 1.006 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccccc2)Cc2ncn(C)c21 96044870 ITLMBJWHTZQFDQ-INIZCTEOSA-N 342.443 1.624 0 40 EDAB Cn1cc(N2CC[C@]3(CCN(C(=O)Cc4ccccn4)C3)C2=O)cn1 96159574 BLYOANBOLDBADX-SFHVURJKSA-N 339.399 1.013 0 40 EDAB CCS(=O)(=O)N1CCN(Cc2cccnc2)c2nc(C)ccc2C1 96199096 YWMJONVOAFMFIT-UHFFFAOYSA-N 346.456 1.957 0 40 EDAB CCCN(CCC)S(=O)(=O)N[C@H]1CCO[C@@H](c2cnn(C)c2)C1 585114514 GHSZEBDHVKBLGW-LSDHHAIUSA-N 344.481 1.597 0 40 EDAB COc1cc2c(cc1CNC(=O)N[C@H]1C(=O)NCC1(C)C)O[C@@H](C)C2 585137595 IIROSVDUMYKAPU-BONVTDFDSA-N 347.415 1.342 0 40 EDAB CN1CC2(CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)OCC1=O 96201348 BZFUGDYYXWFGPC-UHFFFAOYSA-N 327.384 1.631 0 40 EDAB CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H](C)CCc1ccc(F)c(F)c1 95978667 MCMCQSLMBVDZAQ-MEDUHNTESA-N 340.370 1.649 0 40 EDAB Cc1cc(CN2C[C@@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)no1 96042419 IMDVFZHOMMXASY-NUJGCVRESA-N 349.431 1.354 0 40 EDAB O=C(c1occ2c1CCC2)N1CCC[C@@H](N2CCCS2(=O)=O)C1 585082003 OTGRXAMKFIAAHT-CYBMUJFWSA-N 338.429 1.408 0 40 EDAB O=C(C1CCOCC1)N1CCC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96048429 YXHPJQQZXRBPTJ-YJBOKZPZSA-N 346.431 1.465 0 40 EDAB O=C(Cc1ccco1)N1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 96206885 YLMQTYMJYBDSGF-FUHWJXTLSA-N 341.411 1.577 0 40 EDAB Cc1c(I)cccc1C(=O)N1CC[C@H](O)C1 96473179 IXYOIWWFFAPTIH-VIFPVBQESA-N 331.153 1.806 0 40 EDAB O=C(N[C@H]1CCc2c(ccc(=O)n2Cc2ccncc2)C1)c1ccc[nH]1 96100543 BFVVAHVKFSTUKK-INIZCTEOSA-N 348.406 1.907 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H]2OCC[C@H]21 96038887 PQULBHUVLFCWGO-HDMKZQKVSA-N 344.411 1.531 0 40 EDAB Cn1ncnc1CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 96455652 FZDILHPBMQZCGE-UHFFFAOYSA-N 349.460 1.992 0 40 EDAB O=C(c1cccs1)N1CCOC[C@@]2(CC[C@H](Cn3cncn3)O2)C1 96160565 QYONVNDMYGWUAY-CZUORRHYSA-N 348.428 1.430 0 40 EDAB CC(=O)N1CCCc2cc(C(=O)N3CC[S@](=O)C(C)(C)C3)ccc21 95413070 NPRQOFGNWFCTAU-XMMPIXPASA-N 348.468 1.969 0 40 EDAB COC[C@H]1CC2(CCN(S(=O)(=O)N(C)C)CC2)CN1CC1CC1 96220375 XMTVAUQLWRGGSU-OAHLLOKOSA-N 345.509 1.006 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2=O)cs1 96245122 ZAGMOMLEMGSGOJ-HIFRSBDPSA-N 342.424 1.577 0 40 EDAB Cc1nc2ccccn2c1CN1CCCC[C@@H]1CNS(C)(=O)=O 96468458 SZTXFJDNRMJKPR-CQSZACIVSA-N 336.461 1.546 0 40 EDAB Cc1cnc(C(=O)N2Cc3nccn3C[C@@H](COCC3CC3)C2)cn1 96187901 XZDSPPDMCYGSIO-OAHLLOKOSA-N 341.415 1.680 0 40 EDAB CCn1c(Cn2nc(C(=O)OC)ccc2=O)nc2cc(F)ccc21 96424938 RGNUUBMWXRJTOF-UHFFFAOYSA-N 330.319 1.587 0 40 EDAB Cc1cc(Br)ccc1CNC(=O)NCCn1ccnn1 96501274 SUDCJSPVAYLDJT-UHFFFAOYSA-N 338.209 1.848 0 40 EDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(N)CN)cc1 242750502 ZOWPSFGVHIFVRO-IKGGRYGDSA-N 332.425 1.291 0 40 EDAB COCCNC(=O)[C@H]1CN(Cc2scnc2C)Cc2cccn2C1 248020694 IVPDUFDRQUPWJH-AWEZNQCLSA-N 348.472 1.648 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CCN1C(=O)CCC1=O 25124758 UUNRHLLQDYVVNA-UHFFFAOYSA-N 342.351 1.741 0 40 EDAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1cc(-c2ccc(F)cc2)on1 257265958 MBADVCYDJHLAHX-XNRPHZJLSA-N 334.347 1.875 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)Cn2ccnc2C)C1 257301802 RZYHHHSRFVDYTL-CQSZACIVSA-N 328.420 1.505 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCC[C@H](c3ccncn3)C2)ccn1 257316000 VDRIGKUAMRRYHY-AWEZNQCLSA-N 325.372 1.850 0 40 EDAB CC(=O)N1CCC[C@@H]1c1nc(C)ncc1CNC(=O)c1cncs1 257321117 WADSMZDEHRUBRY-CYBMUJFWSA-N 345.428 1.855 0 40 EDAB Nc1nccnc1C[C@@H]1CCCN(S(=O)(=O)C2CCCCC2)C1 257251703 JRVQCAFNGZHBFX-ZDUSSCGKSA-N 338.477 1.976 0 40 EDAB NC[C@]1(N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 252513871 AMPDDUOBEOSGMI-OAGGEKHMSA-N 336.844 1.936 0 40 EDAB Nc1cccc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257230652 GDHILIOVKAKTOF-HNNXBMFYSA-N 327.340 1.606 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@]2(N)CO)cc1 252516149 QHWBIMUMVFPTSP-GVDBMIGSSA-N 335.400 1.764 0 40 EDAB CN(C1CCOCC1)[C@H]1CCN(C(=O)c2cccnc2)CC[C@@H]1O 257227485 FPNNLLBNEXEZJC-IRXDYDNUSA-N 333.432 1.158 0 40 EDAB O=C(COc1ccccc1F)NCCn1ccc(-c2cnccn2)n1 253472810 PLPBPXDCFCNIRN-UHFFFAOYSA-N 341.346 1.674 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@@H](n3nccn3)C2)cc1F 253472734 OQVVLDQLPNDGRL-LLVKDONJSA-N 340.380 1.452 0 40 EDAB CC(C)(C)OC(=O)N1CC(C(=O)N[C@H]2CCN(c3ncccn3)C2)C1 261507234 GRZWGTRUTYVEFM-ZDUSSCGKSA-N 347.419 1.038 0 40 EDAB Cn1ncc(CCC(=O)NC[C@H](CO)Cc2ccccc2Cl)n1 1615044223 DBWLVDHHZMPAQA-GFCCVEGCSA-N 336.823 1.369 0 40 EDAB COc1cccc2c(=O)c(C(=O)N[C@@H](CO)CCSC)c[nH]c12 1615155200 XKUBIGBSGCJIHG-SNVBAGLBSA-N 336.413 1.381 0 40 EDAB CC(C)(C)OC(=O)N1CC2(CC[C@H](N[C@H]3CCc4ncnn4C3)C2)C1 1616031179 JMHINPVMKYNWFB-KBPBESRZSA-N 347.463 1.972 0 40 EDAB Cn1cnc(C(=O)N2CC3(C[C@@H](Oc4ncccc4F)CS3)C2)c1 575403207 GLCJWBGXVXVKSZ-LLVKDONJSA-N 348.403 1.733 0 40 EDAB O=C(c1cocn1)N1CC(F)(F)C[C@]2(CCN(CC3CC3)C2=O)C1 585093174 HCKDVALNPCGAJQ-OAHLLOKOSA-N 339.342 1.785 0 40 EDAB Cn1cnc(C(=O)N2CCc3ncnc(-c4ccccc4)c3CC2)n1 585110477 CWAAQWNDHVQVFK-UHFFFAOYSA-N 334.383 1.513 0 40 EDAB Cc1cnn(CC(=O)N2CCO[C@@](CO)(Cc3cccc(F)c3)C2)c1 585275896 AVEUJOYJIYYJPR-SFHVURJKSA-N 347.390 1.163 0 40 EDAB Cc1nocc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 585108847 VRYXWBBHXIZIRU-ARFHVFGLSA-N 329.356 1.829 0 40 EDAB CNC(=O)CC[C@]1(O)CCCN(C(=O)c2cccc(COC)c2)C1 585277698 KQKWMLDOTNRUMP-GOSISDBHSA-N 334.416 1.326 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1NC(=O)[C@H]1CCS(=O)(=O)C1 69631294 XCWKGCGPDMGQLO-NSHDSACASA-N 345.442 1.242 0 40 EDAB Cc1cc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCOC3)no1 96121801 NSPQZJXZEDXUAG-UHFFFAOYSA-N 344.293 1.701 0 40 EDAB O=C(COc1ccc(C(F)(F)F)cc1)N1CCN(CCO)CC1 75572593 YDUFUENZPQKFTA-UHFFFAOYSA-N 332.322 1.221 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 97021220 QBOTZZOCJVOTAF-CQSZACIVSA-N 336.417 1.701 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCc2nccn2C1 97197914 OLSCRGALGLCSOF-CYBMUJFWSA-N 337.383 1.822 0 40 EDAB C[C@H](CNC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1cccs1 98018888 MFTGVBBZCIYEQS-GFCCVEGCSA-N 347.444 1.644 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 78113869 RQTNOAZTTDXOGP-ZFWWWQNUSA-N 349.479 1.983 0 40 EDAB O=C(NCc1cn2ccsc2n1)N[C@H]1c2ccccc2C[C@@H]1O 78983632 QFKPAADBEMBEFN-KBPBESRZSA-N 328.397 1.853 0 40 EDAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCC2(CO)CC2)cc1 79109951 AKERPCCZURZYSB-OQHXTRMZSA-N 332.400 1.102 0 40 EDAB Cc1ccc2[nH]c([C@@H]3CCCCN3C(=O)Cn3cnnn3)nc2c1 12221578 VJXIDSAIDBKNIN-AWEZNQCLSA-N 325.376 1.612 0 40 EDAB CCOC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)N[C@@H]1C 13041393 MTLPPHFLZMQVND-GFCCVEGCSA-N 329.400 1.958 0 40 EDAB c1ccc(CN2CCN(Cc3nnnn3C[C@H]3CCCO3)CC2)cc1 19372205 PGFRUJWDVKLTKI-QGZVFWFLSA-N 342.447 1.170 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nnc2n1CCNCC2 19706371 YCFIVRHRCQUIOP-OAHLLOKOSA-N 343.406 1.469 0 40 EDAB CCOC(=O)c1nnc2n(c1=O)CCN2c1ccc(OCC)cc1 34936024 XSLGUQUGOGJUBD-UHFFFAOYSA-N 330.344 1.365 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccn2)C1 220770 FFDVLXJNJNJHLD-CYBMUJFWSA-N 325.434 1.150 0 40 EDAB Nc1nc(N)nc(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)n1 12254586 LMXAICJBIJTAJE-SNVBAGLBSA-N 334.380 1.287 0 40 EDAB c1cnc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)nc1 1888842810 GECXCIZJFJIGHW-UHFFFAOYSA-N 326.404 1.487 0 40 EDAB O=C([C@@H]1CN(Cc2ccc3ccccc3c2)CCO1)N1CCOCC1 1888921655 NXNCOJCELLXOCI-IBGZPJMESA-N 340.423 1.899 0 40 EDAB CCn1nccc1C(=O)N1CC[C@]2(COCC(=O)N(C(C)C)C2)C1 2037984448 BQOXILTWHNQWGH-KRWDZBQOSA-N 334.420 1.003 0 40 EDAB CCn1ccc(C(=O)N2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)n1 2037984489 CHNWBUZDKHDQGQ-GOSISDBHSA-N 348.447 1.535 0 40 EDAB COC[C@@H]1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CN1C(C)C 1614962828 WLMWQZNEVXSXQQ-AWEZNQCLSA-N 335.452 1.167 0 40 EDAB Cc1nc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)NC3CCC3)C2)cs1 2055734571 KKZSRRXXLBXNJB-YRGRVCCFSA-N 335.429 1.350 0 40 EDAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H](Oc2ncccn2)C1 575610724 OIINQPMNTXDMNF-LBPRGKRZSA-N 339.804 1.972 0 40 EDAB COC[C@@](O)(CNC(=O)c1ccc2nsnc2c1)c1ccccc1 575608766 YKPMDMQDPMVNFB-KRWDZBQOSA-N 343.408 1.955 0 40 EDAB O=S(=O)(NC[C@H](O)c1ccoc1)c1ccc2c(c1)OCCO2 75171868 SBBFRLKQORVWLZ-LBPRGKRZSA-N 325.342 1.063 0 40 EDAB COC(=O)CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 30694425 JVOWNZVDURIKMH-UHFFFAOYSA-N 343.383 1.416 0 40 EDAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1cnccn1 31240801 NDCLJLVAZSGRDJ-UHFFFAOYSA-N 325.416 1.419 0 40 EDAB C[C@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)c1ccccn1 40549765 QEUDBGCWIPVXFH-NSHDSACASA-N 347.806 1.853 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)NCCc2c(F)cccc2F)C1 40553995 SUSVASCLDTYVDU-NSHDSACASA-N 346.399 1.295 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)C1 40501584 FVULLNFVIGHXDT-HNNXBMFYSA-N 338.477 1.176 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 8981323 UBTWGCXJKFWYGK-LLVKDONJSA-N 325.365 1.438 0 40 EDAB CCCC(=O)N[C@]1(C(F)(F)F)N=C(O)N(Cc2cccnc2)C1=O 12324950 MQPMFRNWEZTOEL-ZDUSSCGKSA-N 344.293 1.513 0 40 EDAB Cc1ccnc2nc(C(=O)NCCCc3nc(C(C)C)no3)nn12 61457489 GHPYABXCLQAWSY-UHFFFAOYSA-N 329.364 1.302 0 40 EDAB COC(=O)c1cc(NC(=O)[C@H]2CCCN(C)C2)cc(C(=O)OC)c1 78578551 CZYZIBOUZJVRKN-NSHDSACASA-N 334.372 1.540 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)S(=O)(=O)c1ccccn1 47620803 ZNAYHTLDTLCUBQ-TZMCWYRMSA-N 346.408 1.884 0 40 EDAB CCCn1c(=O)n(CC(=O)NC2CCN(C)CC2)c2ccccc21 47615588 VSMUCVREKUNMNP-UHFFFAOYSA-N 330.432 1.423 0 40 EDAB Cc1ccc(NC(=O)CSc2nnc3[nH]c(=O)cc(C)n23)cc1 4249869 PBFVUNOALCNWNC-UHFFFAOYSA-N 329.385 1.765 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3cccc(F)c3)N[C@@](CC)(C(=O)OC)[C@@H]2C1=O 4410214 OFRUCNWWBRLFDL-WZTLGTBRSA-N 348.374 1.413 0 40 EDAB CC(C)[C@H](c1nnnn1Cc1cccs1)N1CCC(C(N)=O)CC1 4874760 BFJCQQZDJCQCPJ-CQSZACIVSA-N 348.476 1.677 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)NCCc1nnc2n1CCC2 42502825 PNINHTHCAJGYKU-UHFFFAOYSA-N 328.372 1.245 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 42512617 WGRWQNOGTXCQIN-ZDUSSCGKSA-N 347.419 1.033 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 42969545 CTGKWIVAYMOFJA-GFCCVEGCSA-N 345.321 1.650 0 40 EDAB CC[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 8341400 NTAATYRKNYOXRF-LLVKDONJSA-N 341.433 1.228 0 40 EDAB C[C@H](O)CNC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 43002631 FVXSUSXFVJJFAE-AWEZNQCLSA-N 340.427 1.824 0 40 EDAB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100615149 OEVVWXFIYQUZHV-NOCMYWHHSA-N 337.375 1.735 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1Cl)C(=O)O 3205168 WXGFBHVJZKZMPZ-JTQLQIEISA-N 335.765 1.426 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCO[C@H](Cn3nc(C)cc3C)C2)on1 106666012 DFMQPOHJRNCYDC-CABCVRRESA-N 347.419 1.524 0 40 EDAB COCCCNC(=O)CSc1nnc(Cc2ccccc2)n1C 22090317 PTWXKKFIGBHXSF-UHFFFAOYSA-N 334.445 1.651 0 40 EDAB COc1cncc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 107519478 JZEDULHTQSPEDJ-CVEARBPZSA-N 326.400 1.575 0 40 EDAB Cc1ocnc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 108143394 SLJNYVSJVRFKNN-HOTGVXAUSA-N 329.400 1.596 0 40 EDAB Cc1cnc(CCNC(=O)N2CCCN(C(=O)C3CC3)CC2)s1 97102938 PGDULPFAGANZJD-UHFFFAOYSA-N 336.461 1.648 0 40 EDAB COc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1C(N)=O 26824742 NBPUEUIEZLOYBX-UHFFFAOYSA-N 348.380 1.382 0 40 EDAB Cc1cccc(NC(=O)[C@H]2CCCN(c3ncnc4[nH]cnc34)C2)n1 58141118 MGCXUQKOSMWRFE-LBPRGKRZSA-N 337.387 1.911 0 40 EDAB COc1ccccc1S(=O)(=O)NCCC(=O)N1CCC[C@@H](C)C1 58193529 STMSCYSVXDBIGW-CYBMUJFWSA-N 340.445 1.622 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)CSCc1nc2ccccc2[nH]1 58291668 DFNUHQKSVROQEI-CYBMUJFWSA-N 348.472 1.633 0 40 EDAB COc1ccccc1CS(=O)(=O)[C@H](C)C(=O)NC[C@H]1CCCO1 44938512 PZNQTCHAXCJFJL-TZMCWYRMSA-N 341.429 1.294 0 40 EDAB COC(=O)c1cc(NC(=O)Cn2ccsc2=N)cc(C(=O)OC)c1 3341253 TXHHPYANQMXNOY-UHFFFAOYSA-N 349.368 1.241 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNCc1ccc(Cn3cncn3)cc1)CN2 58342001 PZRRBBRXLZRSDY-KRWDZBQOSA-N 337.431 1.663 0 40 EDAB N#Cc1ccc(CS(=O)(=O)CC(=O)NOCc2ccccc2)cc1 45040429 VVXGUDUAKAVGLP-UHFFFAOYSA-N 344.392 1.721 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCc2ccccc2CN2CCCC2)C1 45191193 HFHRCVCUWKCXBW-INIZCTEOSA-N 330.432 1.299 0 40 EDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@H]1CCOC1 48311796 AHZGDQCKBWSEDB-ZFWWWQNUSA-N 333.367 1.057 0 40 EDAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H]1CC(=O)N(C)C1 72302838 JPJLLLFSHHTKLU-GFCCVEGCSA-N 332.791 1.795 0 40 EDAB Cc1ccc(C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)s1 36397474 AQRBGXYVQBUZQQ-PHIMTYICSA-N 346.474 1.225 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccccn2)cc1 28782197 XXUYBOYLNUGVQS-ZDUSSCGKSA-N 347.440 1.800 0 40 EDAB O=C(Cn1nc(C(F)(F)F)ccc1=O)NCc1ccc(F)cc1 95437165 JLOOTVZQYSWMDO-UHFFFAOYSA-N 329.253 1.718 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)c1ccn(C)c(=O)c1)CC2 28997857 QUPTWKAHDLWOBZ-UHFFFAOYSA-N 328.368 1.601 0 40 EDAB O=C(COc1ccc(Cl)cc1)N1CCN(c2cnccn2)CC1 11544153 RAWNGZWXGPDIIB-UHFFFAOYSA-N 332.791 1.858 0 40 EDAB Cc1csc(CNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)n1 29442670 ZZFAFEAKWYHMTB-CYBMUJFWSA-N 343.412 1.188 0 40 EDAB NC(=O)NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 2653356 ZYKZSUOMRBKXNC-UHFFFAOYSA-N 339.307 1.847 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCCc2ccc(OC(F)(F)F)cc2)C1 46691510 WTSFORVDNDFWPX-LLVKDONJSA-N 345.321 1.645 0 40 EDAB COc1ccc(OC)c(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c1 3597198 MAELKFLPYQYYKQ-ZDUSSCGKSA-N 349.387 1.609 0 40 EDAB CNC(=O)NC(=O)COc1ncnc2sc3c(c12)CC[C@H](C)C3 3516498 QBYIZYJRHVSTIZ-QMMMGPOBSA-N 334.401 1.651 0 40 EDAB NC(=O)CN1CCCN(C(=O)c2cc(Cl)sc2Cl)CC1 49348816 MFRYNLRLDKWMQT-UHFFFAOYSA-N 336.244 1.688 0 40 EDAB COCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 29018963 VINCGAXPQARZDK-UHFFFAOYSA-N 340.445 1.546 0 40 EDAB COc1cc(C)ccc1[C@H]1[C@@H]2[C@H](C)NC(=O)N(C)[C@@H]2NC(=O)N1C 4026601 NAWGKDIMLGSLRQ-HJPIBITLSA-N 332.404 1.686 0 40 EDAB biogenic O=C(N[C@H]1CCS(=O)(=O)C1)O[C@H]1CCN2Cc3ccccc3N=C12 4028858 ZCDCWVWJHPGSKF-JSGCOSHPSA-N 349.412 1.218 0 40 EDAB biogenic CC(=O)NCC1CCN(C(=O)[C@@H](c2ccccc2)n2cccn2)CC1 64935409 LURUPBFSHRVQEA-GOSISDBHSA-N 340.427 1.847 0 40 EDAB COc1ccc([C@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1 5176157 REKWHZMALYIKHA-ZSKNKVCCSA-N 329.352 1.623 0 40 EDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C2CC2)c1 5117729 GZBFJJPPZASAPV-UHFFFAOYSA-N 335.312 1.152 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)NCCc2ccccc2F)CC1 65447684 FRRXGXLKPBKACL-UHFFFAOYSA-N 343.424 1.091 0 40 EDAB Cc1ccccc1C(=O)N1CCC(C(=O)NCCn2ccnc2)CC1 65409031 QJWCVEFEQSRIEZ-UHFFFAOYSA-N 340.427 1.860 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1OCC 408699694 YONZZOZBPUXEKB-UHFFFAOYSA-N 328.434 1.912 0 40 EDAB Cc1ccc(C)c(N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)c1 65554281 AYWHZJNNTGBROT-OAHLLOKOSA-N 338.473 1.822 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1ccc(OCC(C)C)nc1)CC2 65540429 RSHIYZQYKQWFRV-CQSZACIVSA-N 329.404 1.761 0 40 EDAB CC(C)CN1C[C@H](C(=O)NCCNC(=O)c2ccccc2F)CC1=O 65574874 OKZCFTUWFASGDT-CYBMUJFWSA-N 349.406 1.176 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Sc1ccc(-n2nc(C)cc2C)nn1 14180557 DOICBKQIYNVJNH-LLVKDONJSA-N 348.432 1.605 0 40 EDAB COC(=O)c1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409380124 INEMEMNCWLIEPZ-ZOPJHEKZSA-N 331.324 1.456 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(I)cc1 4667083 IOZCLMSWBBBBOI-UHFFFAOYSA-N 325.171 1.978 0 40 EDAB CN1C(=O)C2(Cc3ccccc3N3CCCC[C@@H]32)C(=O)N(C)C1=S 6661858 DEDAOYYOXLACII-CQSZACIVSA-N 343.452 1.803 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 9453130 KEHPSJGKXQUYHB-QGZVFWFLSA-N 345.355 1.132 0 40 EDAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(N)nc(N)n2)c1 4921144 WDTUMVCKFUFAEK-QMMMGPOBSA-N 332.389 1.358 0 40 EDAB CCN(C[C@@H]1CN(CCc2ccccn2)CCO1)c1cccnn1 84774612 LSUWORDIFCRHKZ-KRWDZBQOSA-N 327.432 1.641 0 40 EDAB C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)Cc1ccc(Cl)s1 71794657 RINZQFSKYVCDDE-JTQLQIEISA-N 343.880 1.946 0 40 EDAB CC(=O)N1CCOC[C@@H]1C(=O)NCCSCc1ccc(C)cc1 95441914 BOOFEDQWHAOLIQ-MRXNPFEDSA-N 336.457 1.592 0 40 EDAB CCOc1ccc(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1 68368307 SZOYAXZRUARSJJ-UHFFFAOYSA-N 331.372 1.792 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)Cn2nc3n(c2=O)CCCCC3)c1C 9515081 OUVVYJOJMQRBIS-UHFFFAOYSA-N 346.387 1.386 0 40 EDAB CCN(CC(=O)N1CCNC1=O)Cc1ccc(Br)s1 9513756 GCLPFZMTALHFQU-UHFFFAOYSA-N 346.250 1.884 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCN(C[C@@H](C)O)CC1 71877398 IEPVXCOAMBJEMC-PMPSAXMXSA-N 349.475 1.259 0 40 EDAB CN(CCOc1cccc(Cl)c1)C[C@@H](O)CN1C(=O)CCC1=O 71898283 NXIAGJYNVYSKNW-CYBMUJFWSA-N 340.807 1.161 0 40 EDAB NC(=O)COc1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)cc1 71866269 AOWILYJZPRHTEK-CQSZACIVSA-N 328.372 1.052 0 40 EDAB O=C(CCc1nc(-c2ccccn2)no1)N1CCN2CCCC[C@H]2C1 71839881 KLEJBKDMADPXOZ-AWEZNQCLSA-N 341.415 1.761 0 40 EDAB O=C1COc2ccccc2N1CC(=O)N1CCC[C@H]1Cn1cccn1 71866219 ROAGSVNVEMGFPT-AWEZNQCLSA-N 340.383 1.300 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCc1cnn(-c2ccccc2)c1 71829748 AKGJMEAJOVALGE-GDBMZVCRSA-N 340.427 1.917 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2Cn2cccn2)c1 71866180 GFCXDPPDTNQKJF-AWEZNQCLSA-N 348.428 1.096 0 40 EDAB C[C@H](C(=O)NCCC1=CCCCC1)N1CCO[C@H](Cn2cccn2)C1 69489278 QHWWEAVPISEETL-AEFFLSMTSA-N 346.475 1.979 0 40 EDAB O=C(CSCC(=O)N1CCCCc2ccccc21)N1CCOCC1 69455339 ZQLWUFDPXHPHMQ-UHFFFAOYSA-N 348.468 1.948 0 40 EDAB CCOc1nnc(CN2CCC(N3CCN(CC)C3=O)CC2)s1 69571051 DSLRCCVBLBBYDX-UHFFFAOYSA-N 339.465 1.659 0 40 EDAB CN1N=C(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)CCC1=O 91764234 JDIGOOZPCAFWBR-QMTHXVAHSA-N 337.326 1.207 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)c3ncoc3[C@H]3CCCO3)CCO2)n1 83829965 MUXWHZOQIIZNFB-GHMZBOCLSA-N 347.375 1.420 0 40 EDAB Cn1ncc2c(=O)[nH]c(NCc3ccnc(N4CCCCC4)c3)nc21 69618644 FBUUKHSBVDLNIF-UHFFFAOYSA-N 339.403 1.654 0 40 EDAB CN(C)C(=O)c1cccc(CN2CCN(C[C@@H](O)C(C)(C)C)CC2)c1 69627601 MCEKZUVIYWYSNX-GOSISDBHSA-N 347.503 1.913 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1ncc2ccccc2c1=O 69632783 QZGXJYKNMXAIIU-SJORKVTESA-N 340.427 1.482 0 40 EDAB Cc1cnn([C@@H](C)[C@@H](C)NCC2=NS(=O)(=O)c3ccccc3N2)c1 69737422 WSVFBJRGTIEPEJ-OLZOCXBDSA-N 347.444 1.944 0 40 EDAB Cc1nnc([C@H](C)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)o1 69772921 QHAIUJCSRXAUMV-BBBYJDLNSA-N 349.479 1.752 0 40 EDAB CC[C@H]1CN(CC(=O)Nc2nc(C)c(C)s2)CCN1CCOC 69738107 DIKLPRRVEKUWBQ-AWEZNQCLSA-N 340.493 1.741 0 40 EDAB Cc1cccn2cc(CNC(=O)Cc3ccc(-n4cnnn4)cc3)nc12 69743263 BNBVBEQNQQVQTQ-UHFFFAOYSA-N 347.382 1.477 0 40 EDAB O[C@@H](CN[C@H]1CCc2ncnn2C1)COc1ccc2ccccc2c1 69815400 JJEZKTVKBAKLJD-IRXDYDNUSA-N 338.411 1.776 0 40 EDAB CCN1CCCN(C(=O)NCC[S@@](=O)Cc2ccccc2)CC1 95427791 NJNGYRXIJKPFQN-QHCPKHFHSA-N 337.489 1.673 0 40 EDAB O=S(=O)(c1c[nH]cn1)N1CCC[C@H](c2nnc3ccccn23)C1 95442348 YWLLEYLMAVDRJJ-NSHDSACASA-N 332.389 1.021 0 40 EDAB Cc1cc(C(=O)Cn2nnc3c(cnn3-c3ccccc3)c2=O)c(C)[nH]1 84072980 GHEZCGLDMDRNLC-UHFFFAOYSA-N 348.366 1.805 0 40 EDAB C[C@@H](Cn1cncn1)N[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 95421167 ZSHVNOLDTFUIOX-UONOGXRCSA-N 349.460 1.557 0 40 EDAB CC[C@H](NC(=O)CNC[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1 72267892 CXVGDRVDGYMFOH-CVEARBPZSA-N 339.867 1.828 0 40 EDAB COCC(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 72292929 MUGRDOUFBMKHKB-UHFFFAOYSA-N 336.823 1.668 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 72280846 OQLIKKSUAMQGIF-KCJUWKMLSA-N 347.341 1.252 0 40 EDAB CCOC(=O)[C@H](NCC(=O)N(C)CC(F)(F)F)c1cccc(O)c1 95405731 MECGQOBDYFEXNO-CYBMUJFWSA-N 348.321 1.607 0 40 EDAB CN(C)c1cccc(CNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c1 98020597 RAZPWDRXXMVFJK-HOTGVXAUSA-N 330.432 1.705 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)CN(CCc2ccccc2)C(C)=O)[C@@H]1OC 95942078 SFQAPXSPTMNDRB-SCTDSRPQSA-N 348.443 1.386 0 40 EDAB CCc1nc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c[nH]1 89279826 SRYAWIBDWOTSRP-SJORKVTESA-N 340.427 1.698 0 40 EDAB CCc1n[nH]c(S(=O)(=O)CC(=O)Nc2ccc(C)c(Cl)c2)n1 86170750 MXKYNTMJQMEDFF-UHFFFAOYSA-N 342.808 1.741 0 40 EDAB CC(=O)c1nc(CCN(C)C[C@H](O)COCc2ccccc2)[nH]c1C 89547786 JHVMEPHDNDDYIY-KRWDZBQOSA-N 345.443 1.973 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@H]2CCOc1ncccc1F 306134832 NZGPTNZIGWCKJN-GFCCVEGCSA-N 344.408 1.430 0 40 EDAB Cc1ccc(NC(=O)CN2CCN(C[C@H]3CCOC3)CC2)c(C)c1 75104996 JFBQZAKTLBVPQI-QGZVFWFLSA-N 331.460 1.896 0 40 EDAB CC(C)N1C(=O)N[C@@](C)([C@H]2CCCN(CCn3cccn3)C2)C1=O 89869768 VTPWZTWYMBXGRH-YOEHRIQHSA-N 333.436 1.314 0 40 EDAB Cc1n[nH]c(=S)n1CCNC(=O)c1ccc(-n2ccnc2)cc1 76084510 BHXSOVJRODMDKB-UHFFFAOYSA-N 328.401 1.865 0 40 EDAB CCCc1noc(CCCC(=O)N2CCO[C@H](c3nc(C)n[nH]3)C2)n1 76045128 SBUSDUIPXSAAII-LBPRGKRZSA-N 348.407 1.371 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)Cc3csc(CC)n3)CCO2)n1 76046130 RYNGREVKVMNLIR-GFCCVEGCSA-N 349.460 1.919 0 40 EDAB O=C(O)CN1C(=O)N/C(=C/c2ccc(O)c(Br)c2)C1=O 408597192 UCUNHODXRSHMSF-XBXARRHUSA-N 341.117 1.132 0 40 EDAB C[C@H](c1ccc(F)cc1)n1cc(C(=O)NCCN2CCOCC2)nn1 20027271 VBYXPWFKYPFQKU-CYBMUJFWSA-N 347.394 1.089 0 40 EDAB CCCNC(=O)c1nsc(C(=O)NCCc2cccs2)c1N 67334920 ROTNKBLDFAJEQC-UHFFFAOYSA-N 338.458 1.899 0 40 EDAB Cc1ccc(CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)cn1 69925337 VLUHBCVUXFRGLW-QGZVFWFLSA-N 332.448 1.644 0 40 EDAB Cc1occc1C(=O)N1C[C@H]2OC[C@@H](CNc3ncccn3)[C@H]2C1 306126004 DIXHFZWMOBTBFW-BPLDGKMQSA-N 328.372 1.577 0 40 EDAB COCC(=O)Nc1ccc(C(=O)O)cc1I 39951807 AZMWCQFPCCJYTG-UHFFFAOYSA-N 335.097 1.574 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)C1 35982187 ZYYQVARWAOQZDL-PJSAGSTRSA-N 337.416 1.910 0 40 EDAB CC1CCN(C[C@@H](O)Cn2ccnc2[C@H](O)c2cccnc2)CC1 189454683 KHWZQMNSIUQTIZ-IAGOWNOFSA-N 330.432 1.453 0 40 EDAB COc1nn(C)cc1C(=O)NCC1(c2ccccc2)CCOCC1 38591762 BRPNAENZLZHNTO-UHFFFAOYSA-N 329.400 1.907 0 40 EDAB CCOC(=O)C(CCN1C(=O)c2ccccc2C1=O)C(=O)OCC 39225921 XUNZJLOMWIUZCQ-UHFFFAOYSA-N 333.340 1.415 0 40 EDAB Cc1noc(C2CN(C(=O)NCc3nc4ccccc4n3C)C2)n1 566047044 QEVGRSQFAIAXQN-UHFFFAOYSA-N 326.360 1.574 0 40 EDAB CCN(CC)c1nc(C)cc(C(=O)NCCCN2CCOCC2)n1 72240424 RFULLGMQXPXOTL-UHFFFAOYSA-N 335.452 1.083 0 40 EDAB Cn1cc(S(=O)(=O)N2CC[C@H](Cc3cnc4[nH]ccc4c3)C2)cn1 72367674 VUNZRUPWWIADCJ-GFCCVEGCSA-N 345.428 1.550 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)Nc1ccnn1C1CCCC1 69597579 UMMPDXRZMUHMQA-OAHLLOKOSA-N 343.435 1.693 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 225208535 PQBMAOGHEQDVGC-GFCCVEGCSA-N 345.440 1.599 0 40 EDAB O=C(NCc1nnnn1CC1CC1)N1CCOC[C@@H](C2CCC2)C1 575187859 ZIKJXIJHLLJASN-AWEZNQCLSA-N 334.424 1.041 0 40 EDAB O=C(OCCn1nc2ccccn2c1=O)c1ccc(-n2cccc2)nc1 84694588 XWYRQNVSAUWGOO-UHFFFAOYSA-N 349.350 1.539 0 40 EDAB COc1cc(N2CCN(CC(=O)N3CCCCCC3)CC2)ncn1 178801475 XENQZJBTGRLAOF-UHFFFAOYSA-N 333.436 1.010 0 40 EDAB CN1CCN(C(=O)Cc2ccccc2-c2nn3cnnc3s2)CC1 41126852 MUSVVLURBSKXRE-UHFFFAOYSA-N 342.428 1.169 0 40 EDAB CC(=O)Nc1ccc(OCc2ncc(CCC(=O)O)c(=O)[nH]2)cc1 223443512 MELCCFIKRCWDCU-UHFFFAOYSA-N 331.328 1.325 0 40 EDAB C[C@@H](CCc1ccccc1F)C(=O)N1CCN([C@H](C)C(N)=O)CC1 80294908 SVXPMNUEHOOELO-UONOGXRCSA-N 335.423 1.412 0 40 EDAB Oc1cccc(CN2CCN(c3cncc(-n4cccn4)n3)CC2)c1 95403156 SPXFNUPQVNYOAG-UHFFFAOYSA-N 336.399 1.690 0 40 EDAB Cn1cc(CN2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)cn1 96074036 WLGAASRNGJNHTN-SFHVURJKSA-N 325.416 1.834 0 40 EDAB CC(C)Cn1cc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cn1 96192230 XKEFJLMXXKWVCD-UKRRQHHQSA-N 334.420 1.187 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 96040461 GEBTXCWAZRIELC-DZGCQCFKSA-N 326.418 1.291 0 40 EDAB CN(Cc1ccc(SC(F)F)cc1)C(=O)Cn1cn[nH]c1=O 97103107 KWHBVJZJBZXMKV-UHFFFAOYSA-N 328.344 1.545 0 40 EDAB COc1ccc(C(=O)N2CCc3ncnc(N(C)C)c3CC2)cc1 96255430 PIFXUVVTUAFFBW-UHFFFAOYSA-N 326.400 1.792 0 40 EDAB CN1C(=O)CC[C@@]12CCCN(S(=O)(=O)c1cccs1)CC2 96217654 QXIWIYPXCFXIHP-CQSZACIVSA-N 328.459 1.914 0 40 EDAB COCCN1CCN(C(=O)c2cnccn2)Cc2ccc(C)nc21 96199035 KUFMVCHMYMMODE-UHFFFAOYSA-N 327.388 1.289 0 40 EDAB O=C(O)[C@H]1C[C@H](N2CCOCC2)CCN1C(=O)Cc1ccsc1 96198744 MNQPMCPNZMTWKS-ZIAGYGMSSA-N 338.429 1.067 0 40 EDAB CN(C)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181908 MKOCMYYBGRLTIE-NVXWUHKLSA-N 335.423 1.803 0 40 EDAB O=C(NC1CCCC1)[C@H]1CO[C@H]2CCN(c3ncccn3)C[C@H]2C1 96042656 IGMLOGGRMLZMAM-FMKPAKJESA-N 330.432 1.767 0 40 EDAB COc1ncccc1CN1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 96161754 MYYWKJALRUNLGY-GASCZTMLSA-N 327.384 1.887 0 40 EDAB COCCN1C(=O)CCC12CCC(NC(=O)c1ccncc1F)CC2 96228558 QCPXAIXKJZMSFV-UHFFFAOYSA-N 349.406 1.901 0 40 EDAB O=C(C1CCOCC1)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 96209397 CZCKWLJOEGKTEL-IEBWSBKVSA-N 346.427 1.500 0 40 EDAB Cc1nc(CO[C@H]2CO[C@@]3(CCN(C(=O)N(C)C)C3)C2)cs1 96107791 KNUQIDKLDVWNEO-HIFRSBDPSA-N 325.434 1.883 0 40 EDAB CCN1CC2(CCN(C(=O)c3ccc(C)cn3)CC2)[C@@H](COC)C1=O 96208232 ZIGPHFQKKPRQEQ-HNNXBMFYSA-N 345.443 1.737 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H]2C[C@@H](C)OC2=O)C1 245344133 XTBBDOKFCHAGGQ-UTUOFQBUSA-N 336.354 1.813 0 40 EDAB Cn1cc(C(=O)N2CC3(C[C@H](Oc4cccnc4)CS3)C2)cn1 248124954 LKJMDXNDXMWAME-AWEZNQCLSA-N 330.413 1.594 0 40 EDAB CCc1nc([C@H](C)OC(=O)c2ccc(N3CCNC3=O)cc2)n[nH]1 585136245 XQROOAHASSLEQC-JTQLQIEISA-N 329.360 1.815 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cncc3nc[nH]c23)C1 585121295 LFNKKCDFBJFUEC-GFCCVEGCSA-N 327.388 1.336 0 40 EDAB CNC(=O)c1cnn2c([C@@H]3CCCN3C(=O)C(C)(C)C)ccnc12 257322358 WFRMXNJXOSLAQD-LBPRGKRZSA-N 329.404 1.799 0 40 EDAB Nc1nccnc1C[C@H]1CCCN(C(=O)CCc2cccnc2)C1 257237386 HGFZDRXQHWHLOD-OAHLLOKOSA-N 325.416 1.868 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3cccs3)C2)OC1 253488499 AXLZQJTZXPEIFI-ZDUSSCGKSA-N 344.502 1.668 0 40 EDAB COC[C@H](O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C 252501948 UMKOAOIFTMEJLF-LLVKDONJSA-N 341.351 1.642 0 40 EDAB O=C(NCC1CC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 26201904 LWXQWOIRVNAKBG-CYBMUJFWSA-N 328.368 1.601 0 40 EDAB NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)CCc1ccc(F)cc1 257256563 KMAAIDZXBQSNOD-GOSISDBHSA-N 342.374 1.552 0 40 EDAB Nc1cc(CC[C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)ccn1 257247734 JAGBDTJDTGACAM-HNNXBMFYSA-N 347.440 1.686 0 40 EDAB CCc1nccn1CCC(=O)NCc1ccnc([C@@H]2CCCO2)n1 257328423 XFOUHSTUPWWSKD-AWEZNQCLSA-N 329.404 1.794 0 40 EDAB Cc1nc(OCC(=O)N=c2[nH]c3ccccc3[nH]2)cc(-n2cccn2)n1 85471921 UWTRWGYWRBSVDC-UHFFFAOYSA-N 349.354 1.286 0 40 EDAB CC(C)n1cc(S(=O)(=O)N2C[C@H](C)C(=O)Nc3ccncc32)cn1 1615589794 KSIJWRAVRCGARR-NSHDSACASA-N 349.416 1.643 0 40 EDAB Cn1ncc(NS(=O)(=O)c2ccc3c(c2)CCC3)c(Cl)c1=O 1615587514 GGJGKFBRQZGBBQ-UHFFFAOYSA-N 339.804 1.723 0 40 EDAB CCOc1ccc(CC(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)nc1 1615621992 XYROVYYYWZGQQU-GOSISDBHSA-N 347.459 1.592 0 40 EDAB CCOc1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C(N)=O)C2)c1 1616035364 ZHVQYCWLLPWSIA-OAHLLOKOSA-N 332.404 1.251 0 40 EDAB CCN1CCO[C@H](CNc2cc(C)nc3nc(C(F)(F)F)nn23)C1 69663374 FJNSMLQKUBTUFA-SNVBAGLBSA-N 344.341 1.584 0 40 EDAB CNC(=O)C[C@@]1(COC)CN(C(=O)/C=C/c2ccccc2)CCO1 585276250 FFZFQBNEFLYAGL-BLGFXRMMSA-N 332.400 1.080 0 40 EDAB CC(C)NS(=O)(=O)[C@H]1CCN(Cc2cc3n(n2)CCCC3)C1 685938869 DNZKTJDISYWENQ-HNNXBMFYSA-N 326.466 1.122 0 40 EDAB CC(=O)N1CCC(NC(=O)Nc2ccccc2-n2cncn2)CC1 69349202 MBVOGNIPFFUZMT-UHFFFAOYSA-N 328.376 1.400 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCOC[C@@H]3CCCO3)C2)n1 72235448 XBQLNMNKFKJYLQ-CVEARBPZSA-N 336.436 1.644 0 40 EDAB CCN(C(=O)CS(=O)(=O)Cc1nc(C)no1)c1ccccc1C 46129941 BXTCMIDIYHXBEJ-UHFFFAOYSA-N 337.401 1.654 0 40 EDAB CCCCc1nc(CS(=O)(=O)Cc2nnnn2C2CC2)cs1 55203073 RVJALYPMYJKOCM-UHFFFAOYSA-N 341.462 1.922 0 40 EDAB CCCn1nnnc1CN1Cc2c(OC)ccc(OC)c2[C@H](O)C1 40474041 JHNVSFUBIZJDHZ-GFCCVEGCSA-N 333.392 1.150 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)nn1C(C)(C)C 583618920 HKONCFGSTJCGFV-INIZCTEOSA-N 332.408 1.188 0 40 EDAB O=CN1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13649012 FYFICSWOBLECOC-UHFFFAOYSA-N 337.228 1.597 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccc(Cl)cc3)N2N1 14607176 QKRCYTWDPJFGMR-NSHDSACASA-N 333.779 1.595 0 40 EDAB COC(=O)c1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)s1 15193458 AMMRTUCAWQQCLL-UHFFFAOYSA-N 331.357 1.842 0 40 EDAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(N)=O)c(OC)c1 16042944 GQMUCHIOEPZMTD-AYOQOUSVSA-N 348.443 1.857 0 40 EDAB biogenic Cc1ncncc1C(=O)N1CCO[C@@](C)(C(=O)NC2CCCC2)C1 19746954 ULCZFHLSWMRVPQ-QGZVFWFLSA-N 332.404 1.075 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](Oc2ccncc2)C1 151152714 DZUVHBWLUHQHHQ-CQSZACIVSA-N 336.417 1.274 0 40 EDAB CCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 3193218 CLFRVLHAWKCYIO-JTQLQIEISA-N 341.414 1.408 0 40 EDAB COc1c(C)cnc(CN2CCO[C@H](C(=O)N3CCCCC3)C2)c1C 1888853859 KICHMNFWOISPSD-KRWDZBQOSA-N 347.459 1.920 0 40 EDAB CCc1ncnc(N2C[C@H]3CN(Cc4nc(C)no4)C[C@@H]3C2)c1F 1888856878 RXGPFBVIXRLLDX-VXGBXAGGSA-N 332.383 1.438 0 40 EDAB Cc1nc(C)c(C)c(N2CCN(c3ncnc4ncn(C)c34)CC2)n1 1888866377 PFFRRLGBJQFWIE-UHFFFAOYSA-N 338.419 1.405 0 40 EDAB Cn1ccc2c(N3CCC[C@H](C(=O)N4CCSCC4)C3)ncnc21 1889111387 IFGPCUGNHRUWRY-ZDUSSCGKSA-N 345.472 1.760 0 40 EDAB NC(=O)Cc1csc(NC(=O)CCc2nc3ccccc3o2)n1 21496056 ICIGVIMQSPKJJW-UHFFFAOYSA-N 330.369 1.883 0 40 EDAB COC(=O)c1ccc(=O)n(CC(=O)NCCCc2ccccc2)c1 22190612 RZFZOQLERDEXGK-UHFFFAOYSA-N 328.368 1.384 0 40 EDAB O=C1C[C@@H]2[C@H](CCN2C(=O)C2CCOCC2)N1Cc1ccncc1 247903625 LEMJDUZYYGXHNZ-JKSUJKDBSA-N 329.400 1.210 0 40 EDAB Cn1nccc1C(=O)N1CCC[C@](O)(COc2ccccc2)CC1 2037905591 MTGQLCJYDGKDNV-GOSISDBHSA-N 329.400 1.856 0 40 EDAB COc1ccc(C(=O)N2CCO[C@@]3(CCCCN(C)C3=O)C2)cc1 2037985250 CTHDWRQLEUZVSB-SFHVURJKSA-N 332.400 1.549 0 40 EDAB Cc1cc(N2CCN(c3nc(C4CC4)ns3)CC2)nc(N(C)C)n1 2087122376 KWISXVCATJNDOO-UHFFFAOYSA-N 345.476 1.907 0 40 EDAB CC(C)NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007602 RRKYPOJMMVVTDX-UHFFFAOYSA-N 341.411 1.971 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(C(=O)OC)cc2)C1=O 4308328 FNSCXLLYKFOBSX-UHFFFAOYSA-N 347.371 1.522 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)no1 4940832 UCVZWRSDIJWUBU-SECBINFHSA-N 335.341 1.155 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)c3ccnn3CC)n2)cn1 225817025 AGCMIVOBBKLBBS-UHFFFAOYSA-N 342.359 1.677 0 40 EDAB Cc1noc(CNC(=O)Cc2csc(Nc3ncccn3)n2)n1 49450445 CXZWCKKSGLMIAA-UHFFFAOYSA-N 331.361 1.227 0 40 EDAB O=C(COc1ccccc1)N1CCN(C[C@@H](O)c2ccco2)CC1 85436746 KFKIWWYNIHIRFQ-MRXNPFEDSA-N 330.384 1.536 0 40 EDAB O=C1CN(c2ccc(NC(=O)NCc3cccc(F)c3)cn2)CCN1 40540906 RRNRVVFINSOYQI-UHFFFAOYSA-N 343.362 1.479 0 40 EDAB CN(C[C@@H](O)C(F)(F)F)C(=O)NCCn1c(=O)oc2ccccc21 96502856 BQMWLKZUVCRHNY-LLVKDONJSA-N 347.293 1.159 0 40 EDAB O=C(NCCOc1ccccc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 40073649 GONCCDYXEATVEH-NSHDSACASA-N 330.306 1.592 0 40 EDAB CC[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC)c2)CCO1 30851079 HIEYQODUVXMBPB-NSHDSACASA-N 346.836 1.499 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)CN1C(=O)CCOc2ccccc21 31395803 WUTRHRMJWQPJTG-CYBMUJFWSA-N 328.372 1.204 0 40 EDAB CCc1cccc(OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 100702598 FDHNBSQVARVEEZ-BHYGNILZSA-N 329.396 1.940 0 40 EDAB COc1ccc(Cl)cc1CNC(=O)CN1CCC(C(N)=O)CC1 51186316 CZCCFVRYLLSSNA-UHFFFAOYSA-N 339.823 1.162 0 40 EDAB O=C(NCCc1ccc(F)cc1)c1ccc(F)cc1-n1cnnn1 20723134 FMVUSFRSRHROBK-UHFFFAOYSA-N 329.310 1.913 0 40 EDAB Cc1cc(CN2CCN(CC(=O)N[C@@H](C)c3ccco3)CC2)on1 32491126 JUPGAWBTXAZCEV-AWEZNQCLSA-N 332.404 1.571 0 40 EDAB O=C1C[C@H](N(C(=O)c2ccn(Cc3ccccc3)c2)C2CC2)C(=O)N1 102079257 XEHYDWUCDNUYAU-INIZCTEOSA-N 337.379 1.556 0 40 EDAB CCOc1cc2c(cc1/C=C/C(=O)N1CC[C@H](C(N)=O)C1)O[C@@H](C)C2 41128855 XCHPTPHSWQJVNU-ZWYFHCDOSA-N 344.411 1.756 0 40 EDAB CCOc1cc2c(cc1NC(=O)CC[C@H]1NC(=O)NC1=O)O[C@H](C)C2 32843076 RUHLCRLGZJQNIE-MWLCHTKSSA-N 347.371 1.335 0 40 EDAB Cc1ccc(/N=c2\ccccn2C)cc1S(=O)(=O)N1CCOCC1 32815363 RSWRCPLLCHJOMU-ISLYRVAYSA-N 347.440 1.587 0 40 EDAB CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 12437264 AKXKXQBPMDUFAI-UHFFFAOYSA-N 341.415 1.498 0 40 EDAB Cc1nccn1CCCC(=O)N1CCO[C@H](c2nc(C(C)C)n[nH]2)C1 78889022 HJEQTEPIYHQENW-AWEZNQCLSA-N 346.435 1.813 0 40 EDAB O=C(NCc1cccnc1)c1nc(N2CCOCC2)ncc1Cl 42127467 UXQWZEPUQZVTFD-UHFFFAOYSA-N 333.779 1.292 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)NC[C@@H]2CCN(C3CC3)C2)C1 79457124 HEBYERWVTKARJH-JKSUJKDBSA-N 348.491 1.419 0 40 EDAB CN(C)CC(C)(C)CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 42385425 SUWFLBKQCUHZPL-HNNXBMFYSA-N 338.496 1.618 0 40 EDAB C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6912655 RGFFMHGVRJDEOW-SECBINFHSA-N 338.414 1.243 0 40 EDAB CC(=O)Nc1ccc(NC(=O)Cn2nc3c(cc2=O)CCCC3)cc1 61720392 IHQHGDXSYZAFFQ-UHFFFAOYSA-N 340.383 1.719 0 40 EDAB COc1ccnc(N2CCN(C(=O)Cc3ccccc3OC)CC2)n1 47693649 BHINUWHIYOWXTE-UHFFFAOYSA-N 342.399 1.385 0 40 EDAB C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(N)=O)C[C@H](C)O1 7022593 IVEGBXSMUJGCGF-UWVGGRQHSA-N 326.780 1.454 0 40 EDAB CN(C)c1nc(Cl)nc(N2CC(=O)[C@@H](c3ccccc3)C2=N)n1 106934642 YRRXWMVLXXXFEK-LLVKDONJSA-N 330.779 1.741 0 40 EDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)N1CCc2ccccc21 43229461 AYQKLVHWJYJUKI-SJLPKXTDSA-N 345.443 1.496 0 40 EDAB COC(=O)c1ccc(CNC(=O)CCNC(=O)c2ccco2)cc1 8393147 ASWYQRUABYFCBJ-UHFFFAOYSA-N 330.340 1.503 0 40 EDAB Cn1nc(C(=O)Nc2nnc(Cc3ccccc3)s2)ccc1=O 8745297 IRLUUHRONSIXTL-UHFFFAOYSA-N 327.369 1.475 0 40 EDAB C[C@@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)[C@H]1C[C@H]2CC[C@H]1C2 106584128 KNRMQZIGLQWLPF-OJXFHTTRSA-N 333.432 1.696 0 40 EDAB COc1ccc(-c2nc(C(=O)NCCN3CCOCC3)cs2)cc1 34711669 DUQDVDVFGKAKMZ-UHFFFAOYSA-N 347.440 1.881 0 40 EDAB O=C(NC1CCC(O)CC1)c1cccn(Cc2ccccc2)c1=O 84544747 MDTWOLGZDPYRCS-UHFFFAOYSA-N 326.396 1.930 0 40 EDAB C[C@H]1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CCO1 106916805 XZXHTOIMPXNPOI-KGLIPLIRSA-N 341.452 1.175 0 40 EDAB C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ccccc2O)CC1 57355239 IPZRYIMPHCAOHZ-CYBMUJFWSA-N 348.447 1.527 0 40 EDAB O=C(CSc1nc(O)cc(=O)[nH]1)Nc1nc2ccccc2s1 8913876 DJLHYHMKRCAGJD-UHFFFAOYSA-N 334.382 1.816 0 40 EDAB CC(=O)N1CCCN(C(=O)NCc2ccc(-n3cccn3)cc2)CC1 48237305 ZUVYKUBMHPSGJD-UHFFFAOYSA-N 341.415 1.636 0 40 EDAB Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCOC2)N2CCOCC2)o1 48236189 YQCRDXMSRTYDIR-LSDHHAIUSA-N 337.420 1.297 0 40 EDAB CC(=O)N1CCN(C(=O)NCc2ccnc(OC3CCCC3)c2)CC1 48278262 RZFVKBOQYDZOMS-UHFFFAOYSA-N 346.431 1.777 0 40 EDAB Cc1ncsc1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 48262175 GKISNKSPOWHWSE-UHFFFAOYSA-N 331.445 1.528 0 40 EDAB CNC(=O)c1cccc(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)c1 12764551 GGELCMFNFNCEJX-UHFFFAOYSA-N 346.412 1.672 0 40 EDAB O=C(CN1CCOc2ccc(Cl)cc21)N1CCc2[nH]ncc2C1 72864890 BYQSDHNUKWWVIY-UHFFFAOYSA-N 332.791 1.847 0 40 EDAB Cc1ccn(-c2ccc(N3CCC[C@H](C(=O)N4CCCC4)C3)nn2)n1 95399231 DQLSBDHTYXSVKQ-HNNXBMFYSA-N 340.431 1.810 0 40 EDAB CC(C)[C@@H](C)NC(=O)C1CCN(CC(=O)NCc2ccco2)CC1 58291821 YMIWYMDWFFFCBF-CQSZACIVSA-N 335.448 1.769 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNC1CCN(Cc3ccccn3)CC1)CN2 58291774 YRXPCYYIXLJNFX-INIZCTEOSA-N 340.475 1.882 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)[C@H](C)n1cncn1)N1CCCC1 44910930 UEJRWYARKPALDE-GOEBONIOSA-N 343.431 1.801 0 40 EDAB CCCCn1nnnc1CN(C)S(=O)(=O)c1ccc(F)cc1 44914015 JTGDSAPCODAPEY-UHFFFAOYSA-N 327.385 1.433 0 40 EDAB CC(C)N(C)S(=O)(=O)NC[C@H](c1ccccc1)N1CCOCC1 44937316 VOFXNTCMIGBBSH-MRXNPFEDSA-N 341.477 1.235 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H](C)O1 12775797 XBFXQKNIVTZONC-AOOOYVTPSA-N 333.356 1.932 0 40 EDAB C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)[C@H]1CCCO1 27907950 VAUMYJZHMVTSGH-MWLCHTKSSA-N 329.194 1.295 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)c2c(O)cccc2Cl)C1 58418052 BFSQVDPLAFNFSI-VIFPVBQESA-N 332.809 1.199 0 40 EDAB O=C(CNCCn1cccn1)N1CCC(Cc2ccccc2)CC1 72267844 SXCDVKOMWNDYHC-UHFFFAOYSA-N 326.444 1.954 0 40 EDAB COc1ccc(C(=O)NCc2ccc(C(N)=O)cc2)c(OC)c1OC 36728075 TYXPGEFHDSYBFN-UHFFFAOYSA-N 344.367 1.741 0 40 EDAB CCOc1ccc(CN(C)C(=O)Cc2nc3ncccn3n2)cc1 45875084 AEBNLSKWFDCANU-UHFFFAOYSA-N 325.372 1.724 0 40 EDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CCCC[C@H]3C)cnc21 29606806 RBLAPPGRYMEMJU-ZWNOBZJWSA-N 330.388 1.413 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)cc1=O 46353196 LSNSMEPUNUECKQ-CQSZACIVSA-N 341.415 1.681 0 40 EDAB COc1cc(C)c([C@H](C)NC(=O)N2CC[C@@H](C(N)=O)C2)cc1OC 46614054 CHQUAWUVZUTJMF-NWDGAFQWSA-N 335.404 1.590 0 40 EDAB CN(C)c1ncccc1CNC(=O)C(=O)Nc1cccc2[nH]ccc12 72291028 QHVRUWOZNMDFMT-UHFFFAOYSA-N 337.383 1.884 0 40 EDAB COc1ncnc2c1CN(Cc1ccc(-n3cncn3)c(C)c1)CC2 92807651 QEFPEHUMAYGBJH-UHFFFAOYSA-N 336.399 1.933 0 40 EDAB Cc1nnc2n1C[C@H](NCc1ccccc1OCC(=O)N(C)C)CC2 62639865 KRLWOSXMUVUTLF-OAHLLOKOSA-N 343.431 1.158 0 40 EDAB CC(=O)c1cccc(OC[C@@H](O)Cn2c(=O)n(C)c3ccccc32)c1 12933518 JZKCPCYLFCOZIR-HNNXBMFYSA-N 340.379 1.983 0 40 EDAB O=C(NCC(=O)N1CCN(c2nccs2)CC1)c1ccccc1 13011888 SVQRYRPNMKBJMO-UHFFFAOYSA-N 330.413 1.222 0 40 EDAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCC1 13006247 UMNKOSRGPVBEHO-CQSZACIVSA-N 335.429 1.372 0 40 EDAB CC(C)c1nc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)no1 72232196 PHLCGBQQSQWLFX-CHWSQXEVSA-N 346.431 1.910 0 40 EDAB CCNC(=O)c1cccc(CNC(=O)[C@@H](CC)N2CCCC2=O)c1 72296010 QQDPBHWZELILPJ-OAHLLOKOSA-N 331.416 1.454 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)c1 72279983 VEWCSKIQXXXYBC-CABCVRRESA-N 333.436 1.363 0 40 EDAB O=C(NCCc1ccccc1)C(=O)Nc1cccc(-n2cnnc2)c1 49546776 MZLOJJQYFCGSQB-UHFFFAOYSA-N 335.367 1.565 0 40 EDAB O=C(OCC(=O)N1CCOCC1)c1ccc(COc2ccccc2)o1 6125441 MRLVZQMKQQOAAB-UHFFFAOYSA-N 345.351 1.874 0 40 EDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 65414450 KKPLQFFHSBQGJP-NSHDSACASA-N 325.359 1.386 0 40 EDAB Cc1cc(-c2noc(CCC(=O)N3CC[C@H](C(N)=O)C3)n2)ccc1F 65473800 BRIWHBJILRXLFH-LBPRGKRZSA-N 346.362 1.451 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc2c(=O)[nH]c(S)nc2c1 65475631 VTJKMTAJEXJESQ-RKDXNWHRSA-N 348.428 1.245 0 40 EDAB CC(C)N1C[C@H](C(=O)NC(C)(C)c2noc(C(C)(C)C)n2)CC1=O 65414202 MRHJFBJAKHWRJX-LLVKDONJSA-N 336.436 1.975 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)[nH]n1 96005159 CUAGXSPLNNQYLH-CQSZACIVSA-N 348.428 1.765 0 40 EDAB COc1ncnc(OC)c1C(=O)Nc1cccc(N2CCNC2=O)c1 65591107 AYVLFCUFUXQTLE-UHFFFAOYSA-N 343.343 1.276 0 40 EDAB C[C@H](c1nc(C(C)(C)C)no1)n1nnc(-c2ccc(C(N)=O)cc2)n1 65543242 ZBZPXYLGXZOUGB-SECBINFHSA-N 341.375 1.729 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 14135499 IGKZVZJHIFBXDC-GOSISDBHSA-N 341.367 1.671 0 40 EDAB CCCNC(=O)NC(=O)CSc1nnc(C(F)(F)F)n1C 6636185 HMFLTPPUQKBGTE-UHFFFAOYSA-N 325.316 1.162 0 40 EDAB CCOc1ccc(N2C[C@@H](C(=O)N[C@H]3CCSC3=O)CC2=O)cc1 4732148 ALHUPTWCFFZPKQ-FZMZJTMJSA-N 348.424 1.587 0 40 EDAB C[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)c2ccccc2S1 5629111 JIVOHLUCAJLYIZ-JTQLQIEISA-N 347.396 1.325 0 40 EDAB NC(=O)[C@H]1CN(C(=O)CCc2ccccc2OC(F)(F)F)CCO1 66643791 DSLCLRAWWAJPEQ-GFCCVEGCSA-N 346.305 1.231 0 40 EDAB COc1ccc(-c2noc(C(=O)NCCCn3ccnc3)n2)cc1 15082434 JKJCFOMYHATXRK-UHFFFAOYSA-N 327.344 1.762 0 40 EDAB COc1ccc(NC(=O)CSC(C)(C)C)cc1S(N)(=O)=O 6906272 QIWULEUMTHLHMN-UHFFFAOYSA-N 332.447 1.813 0 40 EDAB CC(C)(C)C(=O)N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O 9419937 AGZHYBFJLKJRKT-CYBMUJFWSA-N 347.293 1.752 0 40 EDAB COc1ccc(NC(=O)C(=O)NCc2c(C)cc(C)nc2OC)cc1 67599625 OOEZIZCIAFTGEK-UHFFFAOYSA-N 343.383 1.971 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)N1CCCN(C(=O)C(C)C)CC1 68186124 JVETTYXDCQIKCY-HNNXBMFYSA-N 337.464 1.494 0 40 EDAB O=C(NCc1nnc2ccccn12)c1cncn1-c1ccc(F)cc1 7738216 BAFNNJSQIKONKA-UHFFFAOYSA-N 336.330 1.984 0 40 EDAB Cc1csc(N2CCCN(c3ccc4nnc(C)n4n3)CC2)n1 68691428 GWUOFHLHIPRUJH-UHFFFAOYSA-N 329.433 1.914 0 40 EDAB CC(=O)N1CCCN(CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)CC1 16443743 LKMMILBKOLUELR-CYBMUJFWSA-N 347.415 1.147 0 40 EDAB O=C1CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCN1 16585717 FLSCDPMTOYSWEX-UHFFFAOYSA-N 335.713 1.729 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)CCC(=O)c1ccc2c(c1)OCCO2 71853323 JMNSWFICRZXYAB-ZDUSSCGKSA-N 346.383 1.158 0 40 EDAB Cc1ccc2nc(CN3CCCC[C@@H]3Cn3cncn3)cc(=O)n2c1 71876151 JWMOSNVKEFGOAL-MRXNPFEDSA-N 338.415 1.649 0 40 EDAB c1cc2c(cc1CNCc1cnc(N3CCOCC3)nc1)OCO2 71809753 UBKQULOYFUUYCZ-UHFFFAOYSA-N 328.372 1.332 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)[C@H]1CSCN1C(=O)CC(C)(C)C 71880138 ACQQPGMTKHEXFD-GFCCVEGCSA-N 343.493 1.307 0 40 EDAB CC(C)[C@@H](C(=O)N1CCNC(=O)CC1)N1CCc2ccccc2C1 71839443 GNQASBLCNHLRHZ-SFHVURJKSA-N 329.444 1.418 0 40 EDAB Cn1nnc2cc(C(=O)N(CCC3CCCCC3)CC(N)=O)ccc21 71847486 YZNUMKOCXXVYAJ-UHFFFAOYSA-N 343.431 1.866 0 40 EDAB NC(=O)c1ccc(C(F)(F)F)n(Cc2noc3c2CCCC3)c1=O 71888716 JBXHLEQWHMCVFY-UHFFFAOYSA-N 341.289 1.881 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1c(F)cccc1F 71853908 NHBXWUQFYLKZNN-AWEZNQCLSA-N 339.386 1.637 0 40 EDAB CCCNC(=O)C1(NC(=O)Cc2c(C)nn(C)c2C)CCCCC1 69350166 KWHUCFAUWHDHGH-UHFFFAOYSA-N 334.464 1.925 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N1CCC[C@H](n2cccn2)C1 69327666 DFLPLBJEPHCSQV-ZDUSSCGKSA-N 325.434 1.404 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)CN2CCO[C@H](Cn3cccn3)C2)c1 69371977 ZBRUVIWDISKYQN-ROUUACIJSA-N 345.443 1.641 0 40 EDAB COc1ncccc1CNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 69349980 PKUACTNRYRSHAA-NSHDSACASA-N 339.351 1.391 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCN(c3cccnc3)C2)c1C 69349758 VRRXTTBBOSKMOY-ZDUSSCGKSA-N 342.399 1.822 0 40 EDAB CC[C@H](CO)NC(=O)Cc1ccc(NCc2nc(C3CC3)no2)cc1 71922460 RIGRCNWWBNQEOW-CQSZACIVSA-N 344.415 1.989 0 40 EDAB COC(=O)[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 69432245 DXYJDHSYZSCYCK-OAHLLOKOSA-N 347.392 1.734 0 40 EDAB Cc1cc(N2CCN(c3ccc(O)nn3)CC2)nc(-c2cccnc2)n1 71911601 MMWJLBFLHNTJHJ-UHFFFAOYSA-N 349.398 1.669 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1cccnc1)c1c(F)cccc1F 71909118 COWXSKKCMOGPGV-AWEZNQCLSA-N 341.383 1.941 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(C)Cc1cccc(O)c1 69581075 GNSUVOSWQAWTDP-UHFFFAOYSA-N 340.383 1.546 0 40 EDAB COc1ccccc1C[C@H]1CCCN1S(=O)(=O)N1CCOCC1 69649919 MXPXPJYCDJLLCZ-OAHLLOKOSA-N 340.445 1.279 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)Cc2cccc3cccnc23)CC1 69655507 CWDSLKPLPAQXOT-UHFFFAOYSA-N 333.413 1.229 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)N1CCC[C@@H]1c1ccsc1 69742517 MZBSGQHSAUOFFT-UONOGXRCSA-N 331.445 1.608 0 40 EDAB CCn1c(=O)n(CCC(=O)NCCC[S@](C)=O)c2ccccc21 69738137 RUJIIUPUSZJAHZ-HSZRJFAPSA-N 337.445 1.098 0 40 EDAB O=C(Nc1cn[nH]c1)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 69738699 GLWBTLNURJXORZ-LBPRGKRZSA-N 349.416 1.385 0 40 EDAB O=C(NCc1ccccn1)c1nn(-c2ccccc2Cl)nc1CO 8613436 SHPLVKJMJKKOFC-UHFFFAOYSA-N 343.774 1.738 0 40 EDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCc1ccco1 8765032 PXXPOEDZPPDXGH-UHFFFAOYSA-N 339.351 1.631 0 40 EDAB biogenic Cc1ccc(OCCOC(=O)c2csc(S(N)(=O)=O)c2)cc1 18387604 PQBADILMNYCWNV-UHFFFAOYSA-N 341.410 1.940 0 40 EDAB COc1ccc(CC(=O)N(C2CC2)[C@@H]2CC(O)=NC2=O)cc1OC 96703794 NBKBLLRJACTPLD-GFCCVEGCSA-N 332.356 1.493 0 40 EDAB CC(C)(C)CCN1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 84169806 WCFVDQVOYDZYTJ-OAHLLOKOSA-N 332.510 1.939 0 40 EDAB COC(=O)c1cc(CNC(=O)[C@H]2CCCN2C(=O)C2CC2)oc1C 73738685 IDPAKBIPSFLHKE-CQSZACIVSA-N 334.372 1.392 0 40 EDAB CC(C)OCc1cccc(CNC(=O)NC[C@H]2CN(C)CCN2C)c1 75137132 URGDQVCCWOHTOO-SFHVURJKSA-N 348.491 1.657 0 40 EDAB CC[C@H]1CCCCN1C(=O)[C@@H](C)NCC1CCN(CCO)CC1 75131173 XWBXZWJXELLZHT-WBVHZDCISA-N 325.497 1.460 0 40 EDAB Cc1ccc(CNC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)cn1 89652227 KHLWCFCUWWWNSO-KRWDZBQOSA-N 339.395 1.434 0 40 EDAB CC(C)[C@@H](NC(=O)[C@H]1CNC(=O)N1)c1nc(-c2ccccc2)no1 89801874 GEMUYGIBRQHGHB-VXGBXAGGSA-N 329.360 1.231 0 40 EDAB O=C(NCCCNC(=O)C1CCC1)N[C@@H]1CCN(c2ccccc2)C1 89845600 XMOGPGAWMGUPNT-MRXNPFEDSA-N 344.459 1.871 0 40 EDAB Cc1nc([C@H]2CCCN2CCN2C(=O)NC3(CCCC3)C2=O)no1 76040192 PKXJPAPFRNEMIT-GFCCVEGCSA-N 333.392 1.380 0 40 EDAB Cc1ccccc1OCCNC(=O)NC[C@@H](c1cnn(C)c1)N(C)C 76017070 DCGLDVBLVQTQHE-INIZCTEOSA-N 345.447 1.709 0 40 EDAB COc1cccc(-c2noc([C@H]3CCCN(S(C)(=O)=O)C3)n2)c1 174853914 GPRSTZQAFNLQQS-LBPRGKRZSA-N 337.401 1.884 0 40 EDAB CC[C@@H](C)[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C#N)cc1F 547596547 BDWWSFVNGOFIOJ-RNCFNFMXSA-N 328.365 1.817 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1ccncc1 306135764 PABGPXYPJWPLKM-FVQBIDKESA-N 343.427 1.475 0 40 EDAB COCCn1nnc2c1CCN(c1cc(C(F)(F)F)nc(C)n1)C2 518055739 YXWXPIFLDAOUJA-UHFFFAOYSA-N 342.325 1.604 0 40 EDAB Cc1sc(-n2cnnn2)c(C(=O)Nc2n[nH]c(C3CCC3)n2)c1C 524733406 OVVUFVKBYPDDPC-UHFFFAOYSA-N 344.404 1.979 0 40 EDAB O=S(=O)(c1ccccc1)n1cc(I)cn1 34059339 NIKKTZOSTWOPHP-UHFFFAOYSA-N 334.138 1.725 0 40 EDAB CN1CCC(N2CCOC[C@H]2c2nc(-c3cccnc3)c[nH]2)CC1 72322030 ZPBLSKJPQPPGJV-KRWDZBQOSA-N 327.432 1.939 0 40 EDAB biogenic,in-vitro CN(C1CCN(CCc2ccc3c(c2)CCO3)CC1)S(C)(=O)=O 72582087 IMXDDSHEPBWBPH-UHFFFAOYSA-N 338.473 1.520 0 40 EDAB CCn1ncc(-c2cc(C(F)F)n3nc(CC(=O)O)nc3n2)c1C 35655510 QIJQKRMDTPXZHN-UHFFFAOYSA-N 336.302 1.881 0 40 EDAB COc1ccc(NC(=O)CSc2nc(=O)[nH]nc2C)cc1OC 31773882 NVTHMIHVINGHRT-UHFFFAOYSA-N 336.373 1.221 0 40 EDAB CCn1nc(C)cc1NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 72237859 FISWIAICZSIBJD-IRXDYDNUSA-N 342.399 1.748 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](C(=O)O)C2CCOCC2)c(C)c1 567043363 RTEFYRZGMVIXIR-AWEZNQCLSA-N 341.429 1.709 0 40 EDAB Cc1cnc(Nc2nccc([C@H]3CCCCN3C(=O)CN)n2)s1 72382984 RRFQQNGLYCIXQS-GFCCVEGCSA-N 332.433 1.997 0 40 EDAB CN(C)CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 40639928 FQPZLMMGBBRMPE-UHFFFAOYSA-N 339.461 1.298 0 40 EDAB C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C3[C@H]4CCC[C@@H]34)CC2)C1 195534252 CBVJQVLDKORVGS-ATLGXSFKSA-N 347.503 1.872 0 40 EDAB COc1cc(Br)ccc1CN1C[C@@H]2OCCN(C)[C@@H]2C1 195557762 HKKKUBGLZGLDTK-HIFRSBDPSA-N 341.249 1.973 0 40 EDAB CC1(C)Oc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2NC1=O 46089294 USNUVUWMVZNJNS-SNVBAGLBSA-N 340.401 1.253 0 40 EDAB CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2ccnn2C)nc1C 329557043 HOLPVBSGOGKJOG-AWEZNQCLSA-N 337.449 1.861 0 40 EDAB CCN(CC)C(=O)[C@@H]1CCCN1[C@H](Cc1ccccc1)C(=O)NC 225401783 GKPWBEHWMGYHDR-DLBZAZTESA-N 331.460 1.677 0 40 EDAB biogenic,in-vitro COc1ccc(S(=O)(=O)NCCSc2nc(C)n[nH]2)cc1C 222993973 PVDHGDIQMYPURS-UHFFFAOYSA-N 342.446 1.501 0 40 EDAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C 223660807 SPJRFDHGTZDFSU-CVEARBPZSA-N 344.440 1.956 0 40 EDAB C[C@@H](CNC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1)N(C)C1CC1 96455062 RTYKYMFKGSDZCW-RYUDHWBXSA-N 336.402 1.747 0 40 EDAB CN(C)CCn1c2c(ccc1=O)C[C@@H](NC(=O)NC1CCCC1)CC2 96189654 UCIAXYISSLYVOJ-INIZCTEOSA-N 346.475 1.509 0 40 EDAB C[C@H]1CN(c2ccnc(C(=O)N3CCN4CCC3CC4)c2)C[C@@H](C)O1 192627060 AQMIEVPVHRVCDL-GASCZTMLSA-N 344.459 1.615 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F 96444740 XMIPXQZECLDCJY-GWCFXTLKSA-N 346.399 1.609 0 40 EDAB Cn1cc(N2CC[C@@]3(CCN(C(=O)c4cccn4C)C3)C2=O)cn1 96159557 DCEUAERDZCIVOX-QGZVFWFLSA-N 327.388 1.028 0 40 EDAB C[C@H](N1CCN(S(=O)(=O)C2CCOCC2)CC1)C(F)(F)F 96454029 CEONSILVDFWNBW-JTQLQIEISA-N 330.372 1.064 0 40 EDAB COc1cc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccccn2)ncn1 96184791 DPJFNSDNNRLUST-UONOGXRCSA-N 325.372 1.374 0 40 EDAB Cn1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccsc3)C2)cn1 96108463 ZUXBKNINJUCNTI-WBVHZDCISA-N 346.456 1.360 0 40 EDAB O=C1CN(C(=O)c2cccc3[nH]nnc23)CCN1CC1CCCC1 97103933 TVQRQWAWVUWIEM-UHFFFAOYSA-N 327.388 1.433 0 40 EDAB CN1C[C@@H](NC(=O)c2ccc3nncn3c2)CC[C@@H]1C(F)(F)F 583620035 LICKBDIDDXCFLY-WDEREUQCSA-N 327.310 1.484 0 40 EDAB CC(C)COc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=N)O)cc1 330688183 URPVQODXKGWTDK-AWEZNQCLSA-N 342.417 1.646 0 40 EDAB O=C(c1nc(-c2ccc(N3CCCC3)nc2)no1)N1CCOCC1 97971364 WUTUDUKMOHLVGI-UHFFFAOYSA-N 329.360 1.204 0 40 EDAB COCCO[C@H]1CCN(Cc2nccn2C)[C@H]1Cc1cnn(C)c1 96200641 ZCHFHHFOKCAHFJ-HOTGVXAUSA-N 333.436 1.002 0 40 EDAB Cc1sc(=O)n(Cc2cccc(S(=O)(=O)N(C)C)c2)c1C 96428927 XQHRZXZAAQISLD-UHFFFAOYSA-N 326.443 1.825 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CCCC1 96057918 QDXARIITSKPFRH-ARFHVFGLSA-N 329.462 1.917 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cccc(-n2cccn2)n1 96425498 DSGNIUGDLWNDNW-GFCCVEGCSA-N 338.415 1.979 0 40 EDAB O=S1(=O)CCCN(Cc2nc(CCc3ccccc3)no2)CC1 96441449 ZEFPHCZJAGQUTQ-UHFFFAOYSA-N 335.429 1.475 0 40 EDAB COC(=O)[C@H](CO)NC(=O)c1ncsc1Nc1ccccc1C 585122286 VIXGTUGZOKKTFN-NSHDSACASA-N 335.385 1.459 0 40 EDAB CC(C)(C)CN1CCC[C@H](N2CC[C@@H](c3cc(O)nc(N)n3)C2)C1=O 585116085 GYZOPTURWMSEQA-OCCSQVGLSA-N 347.463 1.591 0 40 EDAB COc1cc(C(=O)N=[S@](C)(=O)c2ccc(N(C)C)cc2)nn1C 585134097 DOARFCJKRLAIIX-HSZRJFAPSA-N 336.417 1.792 0 40 EDAB O=C(CO[C@@H]1CCOC2(C1)CN(C1CCOCC1)C2)N1CCCC1 247749861 USBVWHLQEXYFPF-MRXNPFEDSA-N 338.448 1.038 0 40 EDAB CO[C@@H]1C[C@@H]2C(=O)N([C@@H]3C[C@@H](C)N(c4ccccc4)C3=O)C(=O)N2C1 240423820 FRCLDYYMARXZQZ-NMFUWQPSSA-N 343.383 1.232 0 40 EDAB O=C1CN(C(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)CCN1 247855171 JIUXFINONWPVSP-JTZSMWBOSA-N 340.379 1.005 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](C)(C(=O)OC)N[C@H]2c1ccccc1F 245230559 UMDOTPGLDWJGAM-PFHKOEEOSA-N 334.347 1.023 0 40 EDAB CCCn1cc(Cl)c(C(=O)N2CC[C@@H]3OCC(=O)N(C)[C@H]3C2)n1 257234004 GRRCUYQESSGSHN-RYUDHWBXSA-N 340.811 1.018 0 40 EDAB COCC(=O)N1CCC(c2nc(C)cc(N3C[C@@H](C)OC3=O)n2)CC1 257207151 BGOMHJWXROTWSD-GFCCVEGCSA-N 348.403 1.483 0 40 EDAB NC(=O)c1cc(O[C@@H]2CCN(C(=O)/C=C/c3ccco3)C2)ccn1 253473544 WHNAJPHGBGSXLO-RDFMZFSFSA-N 327.340 1.467 0 40 EDAB O=C(CCCn1ccnc1)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257316380 VFJLYPNLQXQBDW-HNNXBMFYSA-N 345.403 1.019 0 40 EDAB O=C(CCCn1cccn1)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257251114 JPLCSLCRPVQJKB-IRXDYDNUSA-N 344.415 1.489 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CN(C)Cc2cccnc2)n1 257286957 PNUWEAUIVYBCBC-HNNXBMFYSA-N 329.404 1.145 0 40 EDAB CN(CCC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1)Cc1cccnc1 257230407 GCEICFLJSLUEKR-WMZOPIPTSA-N 333.432 1.046 0 40 EDAB COc1cccc(Cc2cncc(C(=O)N[C@H]3CCCNC3=O)c2)c1 257257397 KPKXQMLNSGJRPV-KRWDZBQOSA-N 339.395 1.689 0 40 EDAB Cc1nn(C)cc1CCC(=O)N[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257259082 KWTNEMHDTHVMEK-JFIYKMOQSA-N 344.415 1.143 0 40 EDAB COc1ccccc1CN1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257277553 NYJFDAGIWBSANI-CYBMUJFWSA-N 335.429 1.811 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)cn1 268262965 XYAMSWPXSLWOCX-CQSZACIVSA-N 331.397 1.716 0 40 EDAB COC(=O)c1cn(CCNC(=O)Nc2ccc3c(c2)CCCO3)nn1 284519059 FQCNTAYSMRDUEV-UHFFFAOYSA-N 345.359 1.211 0 40 EDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(-n3ccnc3)c2)C1=O 298661681 WJTLFVHVSBBYNG-QGZVFWFLSA-N 341.371 1.531 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCCCO1 390833449 HOWAKRLVJNVHAZ-UHFFFAOYSA-N 333.431 1.505 0 40 EDAB CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 575425676 GTCBOXGLJGJCIG-OAHLLOKOSA-N 345.486 1.891 0 40 EDAB Cc1nnc2ccc(N3CC(N(C)c4ccnc(C5CC5)n4)C3)nn12 585593505 UFNQPYAPGQTFFA-UHFFFAOYSA-N 336.403 1.425 0 40 EDAB Cc1ccc(C[C@]2(CO)CN(C(=O)CCc3ccno3)CCO2)cc1 585277649 OAYPLPGNVWTZEA-LJQANCHMSA-N 344.411 1.748 0 40 EDAB CCc1cc(C(=O)N2CCO[C@@](CO)(Cc3cccc(C)c3)C2)on1 585277080 JVNNNIOYSCMUQY-IBGZPJMESA-N 344.411 1.992 0 40 EDAB Cn1cc(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)cn1 585268971 GDJPPNYVWGXSJZ-KRWDZBQOSA-N 335.379 1.202 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@](O)(COc3cccc(F)c3)C2)c(O)n1 585275651 FNJIAFBINUXXKR-SFHVURJKSA-N 346.358 1.891 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CNC(=N)NCc2ccccc2)cc1 69656145 VEJMORJMPUIAMY-UHFFFAOYSA-N 346.456 1.751 0 40 EDAB O=C(O)[C@@H](F)[C@@H]1CCN(C(=O)c2cc(O)nc3cc(F)ccc23)C1 1548596606 BPEYLMVQGIBRFY-CLAHSXSESA-N 336.294 1.964 0 40 EDAB CC(C)CS(=O)(=O)NCC1(N2CCOCC2)CCSCC1 1776009786 QNTKSZQMUDEAIZ-UHFFFAOYSA-N 336.523 1.160 0 40 EDAB CN(CCOc1cccc(Cl)c1)Cc1cc(=O)n(C)c(=O)n1C 56688591 CHVJELYKVBADJY-UHFFFAOYSA-N 337.807 1.248 0 40 EDAB CC1CCN(C(=O)CN2CC(c3nc(-c4cccnc4)no3)C2)CC1 49483613 FAXWDQDRLJSDKD-UHFFFAOYSA-N 341.415 1.789 0 40 EDAB C[C@H](Oc1ccc(S(C)(=O)=O)cc1)C(=O)NCC(F)(F)F 72564702 JEHHWDIZVVNQGL-QMMMGPOBSA-N 325.308 1.536 0 40 EDAB O=C(O)c1c[nH]c2c(F)cc(I)cc2c1=O 60175558 RISJYMCHNBBECZ-UHFFFAOYSA-N 333.056 1.970 0 40 EDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc(=O)n(C)c1 95954073 NKAZKTVDRDWVGT-QGZVFWFLSA-N 339.395 1.860 0 40 EDAB O=C(OCCn1ccccc1=O)C1CCN(C(=O)N2CCCC2)CC1 95957835 XXGIDDABWMVMJQ-UHFFFAOYSA-N 347.415 1.319 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NC[C@]2(OC)CCSC2)c1 96097689 ZEJQFRHACHZBLX-CQSZACIVSA-N 347.458 1.504 0 40 EDAB CO[C@H]1C[C@@H](N(C)C(=O)NCc2nc3ncccn3n2)C12CCC2 579686365 VCTVEOXKOXGMNZ-NEPJUHHUSA-N 330.392 1.223 0 40 EDAB Cc1cc(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)no1 585326561 XUXMFNGDQDZZBX-UHFFFAOYSA-N 331.372 1.674 0 40 EDAB CCn1cc(S(=O)(=O)N2CCC[C@@H](c3ccn(C)n3)C2)nc1C 585389852 RLPFMQJFWMZYQC-CYBMUJFWSA-N 337.449 1.513 0 40 EDAB NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 15085487 HQBPWYSGCMAHMN-UHFFFAOYSA-N 339.200 1.113 0 40 EDAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCCC2)cc1 16575408 DPJHZBZAFCFQNW-CYBMUJFWSA-N 340.445 1.763 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(Br)cc1 16681673 HRCQQJXSYDTELJ-UHFFFAOYSA-N 349.250 1.596 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)Cn1ccnc1C 19130436 FNVLRWOBDSYPGB-DZGCQCFKSA-N 336.399 1.831 0 40 EDAB O=C(c1ccncc1)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19405566 QNQAOHPEYQGWHW-HNNXBMFYSA-N 347.378 1.857 0 40 EDAB COC(C)(C)C(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3)c2)CC1 19697978 NUIZTPUZXIGOGY-INIZCTEOSA-N 346.475 1.888 0 40 EDAB CN(C)c1cnc(C(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)cn1 515164721 ZFAQRDVLKNCDNS-HNNXBMFYSA-N 345.447 1.454 0 40 EDAB Cc1c([C@H]2CCCN(C(=O)c3ccncc3)C2)n2c(nc1=O)CCC2 19554870 QFLHQAHNYOAZES-HNNXBMFYSA-N 338.411 1.913 0 40 EDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 4468654 AYILUTYKNFFDIB-DJJJIMSYSA-N 343.427 1.931 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC(Cn3ccnc3)C2)cc1F 1889191558 JVZODUDPVLMSGD-UHFFFAOYSA-N 339.392 1.742 0 40 EDAB Cc1ccc(C(=O)NCC(=O)Nc2nc3c(s2)CN(C)CC3)cc1 23608839 QKBFXTOVMCOIRW-UHFFFAOYSA-N 344.440 1.808 0 40 EDAB O=C(CCc1cncnc1)N1CCc2ncnc(NC3CC3)c2CC1 1565544515 IXJQVBYDBMTLNL-UHFFFAOYSA-N 338.415 1.401 0 40 EDAB COc1ccc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 10250773 NPZWCOLIEHOZEB-UHFFFAOYSA-N 341.371 1.741 0 40 EDAB COCCn1ncc2c1COC[C@@H]2CNC(=O)c1csc(C)n1 2055759394 UKHZCKNDNAXHDX-NSHDSACASA-N 336.417 1.338 0 40 EDAB Cn1cnc(N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1=O 1775965876 NIGGIFLEJINUPZ-UHFFFAOYSA-N 327.388 1.056 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCc1ccc(N2CCCC2)nc1 31316011 KUAYDOCNUHEVPA-UHFFFAOYSA-N 327.432 1.891 0 40 EDAB Cc1ccc(-c2nnc(CN3C(=O)N[C@@]4(CCSC4)C3=O)o2)cc1 31608921 IMPZYWJZGDPEEA-MRXNPFEDSA-N 344.396 1.973 0 40 EDAB Cn1cnnc1-c1cccc(NC(=O)CNC(=O)c2ccco2)c1 31807495 KSIJFHGHJWFZEL-UHFFFAOYSA-N 325.328 1.444 0 40 EDAB O=C(NCCCN1CCCC1=O)c1ccn(-c2ccc(F)cc2)n1 40513898 IMYUZCQMOGLQCT-UHFFFAOYSA-N 330.363 1.754 0 40 EDAB C[C@H]1NC(C(=O)N[C@H](C)c2ccccn2)=NN(c2ccccc2)C1=O 40553411 ISAXXCGFVFNWAG-CHWSQXEVSA-N 337.383 1.597 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)NC1CCN(c2ncccn2)CC1 40529294 CATGNJBMAZBXDM-SNVBAGLBSA-N 332.326 1.529 0 40 EDAB COCC(=O)N1CCN(Cc2nnc(-c3ccc(C)cc3)o2)CC1 40540692 JESRBAHFCMAOCZ-UHFFFAOYSA-N 330.388 1.336 0 40 EDAB CS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccccc2F)cc1 32755038 IDLCECCUFBUBFI-UHFFFAOYSA-N 330.358 1.997 0 40 EDAB COc1cccc2c1OC[C@@H](NC(=O)Cn1c(C)csc1=O)C2 102913006 SYESQVICIMUYIG-LBPRGKRZSA-N 334.397 1.347 0 40 EDAB CC(C)[C@@H](C(=O)N1CC[C@@H](C(N)=O)C1)S(=O)(=O)C1CCCCC1 103071014 GCRBRWXMBARJGQ-OCCSQVGLSA-N 344.477 1.092 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)N2CCO[C@@H]3CCC[C@@H]32)C1=O 53382708 QYDPGXXGGPUOBS-KCQAQPDRSA-N 330.384 1.580 0 40 EDAB CN1N=C(C(=O)NCc2cccc(Cn3ccnc3)c2)CCC1=O 47475717 MISKMZCNHXCXIB-UHFFFAOYSA-N 325.372 1.156 0 40 EDAB Cc1cnc(C(=O)Nc2nc3ccc(Br)cn3n2)cn1 78987384 XURAVWHOVGOWCH-UHFFFAOYSA-N 333.149 1.843 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 53894727 SNPOZHPBDDPELX-GFCCVEGCSA-N 346.362 1.532 0 40 EDAB O=C(c1cn(-c2ccc3c(c2)OCCO3)nn1)N1CCSCC1 53818732 BGFONKDJTYOHQA-UHFFFAOYSA-N 332.385 1.228 0 40 EDAB Cc1noc(C2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)n1 54135456 UHAQZOKXRAEKEJ-UHFFFAOYSA-N 327.344 1.567 0 40 EDAB CN(CC(N)=O)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 23161607 LNRDNWGZUDUEAM-UHFFFAOYSA-N 330.715 1.465 0 40 EDAB CN1CCC[C@H](CN(C)C(=O)NCc2cn(-c3ccccc3)nn2)C1 88622450 YXVLYVUCGWIHOU-HNNXBMFYSA-N 342.447 1.751 0 40 EDAB CN(CCNC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1 12537599 RZAIINSXSQXYMZ-UHFFFAOYSA-N 336.395 1.649 0 40 EDAB C[C@H](O)CN1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1C 106840850 KLJZSSIBKGHNNA-MELADBBJSA-N 330.432 1.371 0 40 EDAB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)C(=O)O 1467763 CNKFCEUBFWDWJK-WRWORJQWSA-N 349.792 1.816 0 40 EDAB C[C@H](COCC(F)(F)F)Nc1cc(N2CCC[C@H]2CO)ncn1 106905970 YWSPNGRUWCVWMD-MNOVXSKESA-N 334.342 1.817 0 40 EDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C)C(=O)NCc1ccccc1 107504669 HZFDWYRXQALTEE-ZTFGCOKTSA-N 331.460 1.928 0 40 EDAB CN(C)c1nc2c(c(N3CCN(c4ccccc4)CC3)n1)CNCC2 35287384 IKANKFHSUQHZDG-UHFFFAOYSA-N 338.459 1.515 0 40 EDAB in-vitro Cc1ccc(N2CN=c3s/c(=C\c4cccnc4)c(=O)n3C2)cc1 1799285 FTAWCKWWHWODOW-SXGWCWSVSA-N 336.420 1.497 0 40 EDAB Cc1cccc(NC(=O)[C@H](C)N2CCN(c3ncccn3)CC2)c1 57406318 TYHBUOLZCHSZAY-HNNXBMFYSA-N 325.416 1.934 0 40 EDAB O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cnccn1 57453614 RGRPVYRYHVPGEZ-LLVKDONJSA-N 341.289 1.665 0 40 EDAB CCCC(=O)N1CCCC[C@H]1C(=O)NCc1ccnc(N(C)C)c1 57471154 BVKQMTLKKOSNPT-HNNXBMFYSA-N 332.448 1.945 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)cc1C(N)=O 26759882 LXZJKIJBLOKBBT-JTQLQIEISA-N 338.385 1.735 0 40 EDAB CS(=O)(=O)NCCN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 108356138 PEMPGKZGNWTDRL-ZIAGYGMSSA-N 330.450 1.497 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc([C@@H](N)CC(C)C)o1 1876725 HGATXSQMFPSAQI-VIFPVBQESA-N 325.394 1.093 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1COc2ccccc2O1 35686319 ITLUQYSOARYKJW-BBRMVZONSA-N 327.336 1.639 0 40 EDAB Cc1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1-n1cccc1 44722865 JAWFQQHAXWEGKU-AWEZNQCLSA-N 332.425 1.950 0 40 EDAB CN(Cc1ccc(Cl)cc1)C(=O)c1cnc2nc(O)[nH]c(=O)c2c1 48170057 IQGINSXBYDOTBL-UHFFFAOYSA-N 344.758 1.949 0 40 EDAB C[C@H](SCc1ccccc1)C(=O)N1CCN(S(C)(=O)=O)CC1 48293275 QBSPPTMTLFTUIC-ZDUSSCGKSA-N 342.486 1.412 0 40 EDAB CN(Cc1ccsc1)C(=O)COc1ccc(-n2cnnn2)cc1 44870386 TZMWAJBKGJHXCS-UHFFFAOYSA-N 329.385 1.761 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C\C(=O)O)cc1 54362893 HHMCIOFLFKQSNF-KTKRTIGZSA-N 326.374 1.296 0 40 EDAB CN(C1CCN(C(=O)c2cc(Cl)ccc2O)CC1)S(C)(=O)=O 58291113 HXFGGQVJKOSUPO-UHFFFAOYSA-N 346.836 1.542 0 40 EDAB CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3sccc3C)C[C@@H]2N1C(C)C 107197129 UYCZXNLOUSSLJX-MCIONIFRSA-N 335.473 1.726 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)N[C@@H](C)CN1CCOCC1 44955173 HFQQBOKPLCEBRT-AWEZNQCLSA-N 336.436 1.389 0 40 EDAB COc1ccc2oc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 44907966 ONRLKGQRURJCBH-NSHDSACASA-N 337.397 1.914 0 40 EDAB CCCn1nc(C(=O)NC[C@H](O)c2ccc(OC)cc2)ccc1=O 44918887 XRSJPPDTTKSDHX-HNNXBMFYSA-N 331.372 1.125 0 40 EDAB CN(C)c1ncccc1CNC(=O)N1CCN(c2nccs2)CC1 44969307 GUXNNKVQAZMKJH-UHFFFAOYSA-N 346.460 1.636 0 40 EDAB CCN(CCNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1C 44946148 ZIIBKEIGLHCMHI-AWEZNQCLSA-N 339.461 1.308 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 113732135 KOTHKRWGRLFJGP-UHFFFAOYSA-N 332.809 1.063 0 40 EDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCN(C[C@H]3CCOC3)C2)C1 107232077 ZGWPTGIBBKPYNH-CXAGYDPISA-N 330.388 1.277 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)c2ccc3ccccc3c2)CC1 36393439 JIBZFJKMNBQTTQ-UHFFFAOYSA-N 332.425 1.994 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)c2cc(Cl)ccc2O)CC1 48325636 ZFNDNYBZLSDJAZ-UHFFFAOYSA-N 332.809 1.153 0 40 EDAB CCC(C)(C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 29370608 QRDTWSGPBGFRDD-UHFFFAOYSA-N 328.434 1.621 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)c1ccc(N2CCNC2=O)cc1 46277965 FRLDRIAWDLMNFH-INIZCTEOSA-N 337.379 1.950 0 40 EDAB CC(=O)N1CCN(CCC(=O)Nc2ccc(C(F)(F)F)nc2)CC1 71297198 JNZCMKGSBLGSPL-UHFFFAOYSA-N 344.337 1.593 0 40 EDAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nnc(C2CC2)s1 13134758 CCLBNQZAWDNGCS-GHMZBOCLSA-N 346.412 1.695 0 40 EDAB CCCS(=O)(=O)N1CCC(C(=O)NC[C@@H](C)N(CC)CC)CC1 63810023 PWWSLAISKMHCAW-CQSZACIVSA-N 347.525 1.285 0 40 EDAB CN(CC(=O)Nc1cc(Cl)c(N)c(Cl)c1)S(C)(=O)=O 49446625 HHNMYMZQDYVFNY-UHFFFAOYSA-N 326.205 1.406 0 40 EDAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H](N2CCNC2=O)C1 64373317 ZGFLMCJJFNBADQ-OAHLLOKOSA-N 327.384 1.479 0 40 EDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccsc1C(=O)OC 13692986 MFIJNXQSFZSDNA-JTQLQIEISA-N 339.417 1.074 0 40 EDAB Cc1noc(C)c1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 5195072 AFUXWMWEZXYAQS-UHFFFAOYSA-N 329.312 1.434 0 40 EDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(C(N)=O)cc1 6290407 ACIYEEGEZYNRSP-KRWDZBQOSA-N 340.379 1.481 0 40 EDAB C[C@H](Cc1ccccc1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 95395405 KSCXESZIJAWUDD-CQSZACIVSA-N 338.473 1.653 0 40 EDAB Cc1c(OCC(=O)NCCCO)ccc2c3c(c(=O)oc12)CCCC3 5245424 IZSCSIBAOUUUDH-UHFFFAOYSA-N 345.395 1.858 0 40 EDAB CN(C(=O)CN1CC[C@H](CNc2ccccn2)C1)c1nccs1 65479739 FQBMOABKDHUOLF-CYBMUJFWSA-N 331.445 1.935 0 40 EDAB O=C1C[C@H](C(=O)NCCCOC[C@H]2CCCO2)c2ccccc2N1 65417537 APQRZHULQUEMFT-HIFRSBDPSA-N 332.400 1.814 0 40 EDAB Cc1cc2n(n1)C[C@H](CNC[C@H](Cc1ccccc1)N(C)C)CN2 65625658 DMLWECKLMSXPSS-MSOLQXFVSA-N 327.476 1.996 0 40 EDAB COc1ccc(OC)c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 4548205 BROJRZUSDLXDJN-UHFFFAOYSA-N 347.371 1.507 0 40 EDAB C[C@H](Cc1ccsc1)N(C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 110670314 SUVPVWVGGZBVHF-OCCSQVGLSA-N 344.502 1.256 0 40 EDAB O=C(COC(=O)c1ccc2c(c1)OCCO2)NC(=O)c1cccs1 7158089 LZHJETQSJCMEQY-UHFFFAOYSA-N 347.348 1.633 0 40 EDAB COC(=O)/C(=C/c1cnc(N2CCOCC2)nc1)c1ccncc1 71795727 GDYYFMOXTJHWQD-XNTDXEJSSA-N 326.356 1.422 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 7308631 MBWHNPCODBSMLI-UHFFFAOYSA-N 348.490 1.794 0 40 EDAB CC[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@@H]1N1CCOCC1 84735815 SDRJNABTSJNRJW-IKGGRYGDSA-N 340.464 1.141 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nccs1 9532132 HPDHMCJLZRZQEU-MRVPVSSYSA-N 329.378 1.588 0 40 EDAB COc1ccccc1COC[C@@H](O)CN1CCc2c(ncn2C)C1 71877077 ITRSOYIRGGCLFP-HNNXBMFYSA-N 331.416 1.365 0 40 EDAB CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(N(C)C)cc2)CC1 70012461 ZNGDMVFUKXPXBR-QGZVFWFLSA-N 344.459 1.131 0 40 EDAB O=C(Nc1ccncc1)[C@H]1CCCN1S(=O)(=O)c1cccs1 69367434 KNGMXXACEVJZDV-GFCCVEGCSA-N 337.426 1.935 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c1 71865864 YDZQLBRJIFBMRS-IAGOWNOFSA-N 344.459 1.831 0 40 EDAB CCn1nnnc1SCCCCN1C(=O)c2ccccc2C1=O 21734018 BTXXUVYGURCCBM-UHFFFAOYSA-N 331.401 1.862 0 40 EDAB CCO[C@@H]1C[C@@H]1C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 71896153 HOIIUSXAAPITJJ-LEWSCRJBSA-N 326.418 1.278 0 40 EDAB CC[C@@H]1CN(C(=O)CNc2cc(C(=O)N(C)C)ccc2C)CCO1 69483932 DYMCVZCCLVWKTJ-OAHLLOKOSA-N 333.432 1.746 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCCN2CCCC[C@@H]2C)C[C@@H](C)O1 69444108 GZIPETSFKKDJQI-SOUVJXGZSA-N 333.498 1.195 0 40 EDAB O=C(O)CCN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 69485296 CJYYULBOYQUFEJ-MRXNPFEDSA-N 332.448 1.390 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1nc2ccccc2c(=O)[nH]1 71834767 KYRDWAGZYGQWFU-MRXNPFEDSA-N 334.379 1.335 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCC[C@H](N2CCNC2=O)C1 71841766 JEZBATUFTCPPFN-LBPRGKRZSA-N 325.372 1.260 0 40 EDAB O=C(CCN1CCC[C@@H](CN2CCCCCC2)C1)N1CCOCC1 69535446 OMAGLHHFYLQYPG-SFHVURJKSA-N 337.508 1.823 0 40 EDAB O=C1COc2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)ccc2N1 69660413 RNKQAWZKIACUKS-CYBMUJFWSA-N 326.356 1.691 0 40 EDAB CN(C(=O)CN1CCN(C[C@@H]2CCCCO2)CC1)C1CCCCC1 69655689 QOIMXUGWUNDFJF-SFHVURJKSA-N 337.508 1.964 0 40 EDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69627970 MJRUIRGKTZXGOE-NWDGAFQWSA-N 339.402 1.078 0 40 EDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(=O)n(CCOC)c1 69653928 YLEBGGIDHIYHPA-SJORKVTESA-N 347.459 1.584 0 40 EDAB CCc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)Nc3cc(C)on3)CCO2)n1 83830064 OQRKANGLGLKCFW-QWRGUYRKSA-N 334.380 1.064 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 69739916 SDSNLUXTYJDSHT-CYBMUJFWSA-N 344.814 1.634 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC[C@H]1Cn1cccn1 69771179 LDRFYEFCDVQKOL-WMZOPIPTSA-N 338.411 1.852 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)Cn1c(=O)oc3ccccc31)C2 69770213 RUCLEWUSSFFJAZ-UHFFFAOYSA-N 341.371 1.352 0 40 EDAB CC(C)(CNC(=O)CSc1ccccc1)N1CCS(=O)CC1 69873926 AJGHDUBABAYFQN-UHFFFAOYSA-N 340.514 1.738 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)c1ccc2nnnn2n1 71914886 XKSWMTFREFVELE-ZBFHGGJFSA-N 337.431 1.866 0 40 EDAB CCn1cc(CNC(=O)c2cc(C)ccc2NS(C)(=O)=O)cn1 69975114 XCWOHFACQZEQHY-UHFFFAOYSA-N 336.417 1.513 0 40 EDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1cccc2nsnc12 19109220 ORJSXBSPMCZODF-UHFFFAOYSA-N 342.446 1.227 0 40 EDAB O=C(NCCCn1ccnc1)C(=O)Nc1nc2ccccc2s1 9855617 JXRJGRANLXVXIM-UHFFFAOYSA-N 329.385 1.638 0 40 EDAB C[C@H](NC[C@H]1CN(C)CCO1)C(=O)NCCc1c[nH]c2ccccc12 72267890 AWIMPCXXFAVQPL-HOCLYGCPSA-N 344.459 1.135 0 40 EDAB O=C(c1cc(Br)c[nH]1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72268970 XSTJBNNOXIWLRI-CHWSQXEVSA-N 342.237 1.448 0 40 EDAB Cc1nnc2n1C[C@@H](N[C@H](C)C(=O)N1CCCc3ccccc31)CC2 97199493 LMUABQCURYGZAF-CJNGLKHVSA-N 339.443 1.859 0 40 EDAB CCc1cc(C)nc(N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)n1 97145266 AZVGDHPFKXBPMY-HNNXBMFYSA-N 338.477 1.093 0 40 EDAB CCSc1ccc(Cl)cc1C(=O)NCCc1n[nH]c(=O)[nH]1 84318654 FXJRWTLEVFGIBK-UHFFFAOYSA-N 326.809 1.836 0 40 EDAB C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](c1cc2ccccc2o1)C1CC1 73566568 JQFUZLPPZWWKOG-MEBBXXQBSA-N 336.413 1.938 0 40 EDAB CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2cnn(C)c2)CC1 74396423 MQUQOXLESSWRBD-MRXNPFEDSA-N 347.463 1.250 0 40 EDAB Cc1nc(CCNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)c(C)o1 89548007 JTPXAVIWFLVTLI-UHFFFAOYSA-N 328.328 1.539 0 40 EDAB COc1ccc(S(=O)(=O)Nc2nc(C(N)=O)cs2)cc1Cl 75142081 ZSZUWWOYHRVPMH-UHFFFAOYSA-N 347.805 1.705 0 40 EDAB COc1ccc(C(=O)NCCNC(=O)Nc2c[nH]c(=O)cc2C)cc1 75109114 DUVSLPPNAZVEQC-UHFFFAOYSA-N 344.371 1.243 0 40 EDAB Cn1c(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)n[nH]c1=S 75134567 KUNABVGPGHVRAT-LLVKDONJSA-N 345.428 1.685 0 40 EDAB Cc1ccn(-c2ccc(NC[C@H]3CN(CC(C)C)CCO3)nn2)n1 89700736 RMEWYBFEGPKEDO-HNNXBMFYSA-N 330.436 1.739 0 40 EDAB CCCCc1nc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)no1 76059556 ADHRGJAFOLMZAD-NSHDSACASA-N 332.408 1.614 0 40 EDAB C[C@@H]1CN(C(=O)CCCc2nc(C3CC3)no2)C[C@H]1N1CCOCC1 76052138 OBCNJFHGJPRDHB-UKRRQHHQSA-N 348.447 1.449 0 40 EDAB COc1ccc2c(C(=O)N3CCC[C@H]([C@@H]4CCNC4)C3)cnn2c1 1549171614 BBIBXBCHKOJUEN-KGLIPLIRSA-N 328.416 1.805 0 40 EDAB COC(C)(C)CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 408366344 LDCSSRSGZGBCMV-UHFFFAOYSA-N 325.453 1.988 0 40 EDAB C[C@H]1COCCN1[C@H](C)CNC(=O)C[C@@H](O)c1ccc(Cl)cc1 110703710 RNYDJRXDSJIJGK-DVOMOZLQSA-N 340.851 1.989 0 40 EDAB CS(=O)(=O)N(CC(=O)Nc1cccnc1)Cc1ccccc1F 223643163 BJMQGHYJZLHDBO-UHFFFAOYSA-N 337.376 1.621 0 40 EDAB CC(C)(C)c1csc(CN2CC(=O)N3CC[C@@H](O)C[C@H]3C2=O)n1 65399156 VSKZHCLPWKHBDI-MNOVXSKESA-N 337.445 1.135 0 40 EDAB O=C(O)[C@]1(C(=O)NCc2cc3n(n2)CCC3)C[C@@H]1c1ccccc1 1553331639 XCCNFGPIZLRSGA-CRAIPNDOSA-N 325.368 1.704 0 40 EDAB CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccccc2)CC1 69597305 GFAMORDOQXZNKL-INIZCTEOSA-N 337.489 1.477 0 40 EDAB COc1cc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc2c1OCO2 524729280 MHCWPRAKMYFWIF-LLVKDONJSA-N 343.335 1.872 0 40 EDAB biogenic Cc1ccc(S(=O)(=O)NCCN2Cc3ccccc3C2=O)cc1 526052603 SRBGLLSEJAPBLX-UHFFFAOYSA-N 330.409 1.929 0 40 EDAB C[C@@H]1CN(C)C[C@H](c2nc(-c3ncccc3-n3cccn3)no2)O1 527545512 VWIQIBHMXHDLQZ-DGCLKSJQSA-N 326.360 1.709 0 40 EDAB Cc1cc(CN2Cc3cncn3[C@@H](CN3CCCC3=O)C2)n(C)n1 306138689 SEJUVOCUSODNRX-MRXNPFEDSA-N 328.420 1.104 0 40 EDAB O=S(=O)(Cc1ccccc1)c1nnc(N2CCOCC2)s1 77536941 WRBQTHHOIYGGAU-UHFFFAOYSA-N 325.415 1.349 0 40 EDAB C=COCCNC(=O)Cn1nc(CC)n2c(cc3sccc32)c1=O 72334627 IMUIPRGZOHTPOL-UHFFFAOYSA-N 346.412 1.549 0 40 EDAB CNC(=O)c1ccc([C@@H]2CCCN(c3ncccn3)C2)nc1N(C)C 72352897 GEZJZDRPNWOCQX-CYBMUJFWSA-N 340.431 1.681 0 40 EDAB CC(C)NC(=O)c1nsc(C(=O)NCCc2ccccc2)c1N 62006813 FQJZUKQRJSJJDD-UHFFFAOYSA-N 332.429 1.836 0 40 EDAB CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(F)c2)CC1 72241920 YHZYEVZVKDSESA-DOTOQJQBSA-N 333.407 1.509 0 40 EDAB COc1ccc(-c2nsc(NC(=O)c3nccnc3N)n2)cc1 78727232 GBEVLZGFRBFUMQ-UHFFFAOYSA-N 328.357 1.838 0 40 EDAB COc1cccc(C(=O)N2CCc3nc([C@H]4CCNC4)ncc3C2)c1 72390929 VKBIKVGJQYMQOU-AWEZNQCLSA-N 338.411 1.761 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(F)c2)[C@@]1(COC)C(N)=S 218585737 KXGCUUZIGAHKCT-OUCADQQQSA-N 331.434 1.645 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Nc2ncccn2)cc1 79481222 IGZKBEOQZLZYKX-CYBMUJFWSA-N 332.385 1.137 0 40 EDAB N[C@@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218488844 KWSKWCXUZRABRJ-PMPSAXMXSA-N 337.828 1.970 0 40 EDAB CCN1CCCC[C@H]1CNC(=O)NC1CCN(C(=O)C2CC2)CC1 78924771 OIMMXLRWBVQRIC-INIZCTEOSA-N 336.480 1.561 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CC(c2nc(-c3ccsc3)no2)C1 75156503 HQKFWEWTIFLCPM-UHFFFAOYSA-N 328.353 1.726 0 40 EDAB Cc1nsc(N2CCN(C(=O)CCCc3ccccn3)CC2)n1 81457232 WCFBYDJUBTUFRE-UHFFFAOYSA-N 331.445 1.913 0 40 EDAB CO[C@H]1C[C@@H](CN(C)C(=O)CCc2ccc3c(c2)OCCO3)N(C)C1 573113400 OYWGCOFEWFWTNA-HOTGVXAUSA-N 348.443 1.568 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1 85470901 XFCNMPIYAOYDFM-ZFWWWQNUSA-N 332.448 1.692 0 40 EDAB Cn1cccc1C(=O)N1CC[C@@H]2OCCN(c3cccnc3)[C@H]2CC1 96249447 NFGQAZZILPKZQO-WMZOPIPTSA-N 340.427 1.930 0 40 EDAB CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(CCO)CC1 95533200 SPYRNWLNZNVRQZ-DODZYUBVSA-N 340.508 1.189 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(C(=O)NC1CC1)CC2 96261219 AFZBIBQVJXHAQR-CQSZACIVSA-N 331.420 1.072 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)COCc1nc(-c2cccnc2)no1 96182061 HOUOBTMHECBATO-UHFFFAOYSA-N 342.359 1.637 0 40 EDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)CC[C@@H]2CCOC2=O)on1 583623196 YSJFPYHQHYZWCZ-ILXRZTDVSA-N 339.411 1.780 0 40 EDAB CON(C)C(=O)[C@@H](c1cc(Br)cs1)N1CCOCC1 584907224 HZNLGEPHHQMFCD-LLVKDONJSA-N 349.250 1.904 0 40 EDAB Cc1ncc(CNC(=O)[C@@H]2CC(C(=O)O)=NN2c2ccccc2)s1 585134278 LAPXAEBYGGIAAW-AWEZNQCLSA-N 344.396 1.787 0 40 EDAB Cn1cc([C@@H]2CC(=O)NC23CCN(C(=O)c2cccn2C)CC3)cn1 96199791 XRQWBJOWSYUJLA-AWEZNQCLSA-N 341.415 1.037 0 40 EDAB Cc1cc(CNC(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)c(C)o1 96415528 MHLJAQKFBZEGTA-LLVKDONJSA-N 333.310 1.859 0 40 EDAB c1ccc(CN2CCOC[C@]3(CC[C@H](CN4CCOCC4)O3)C2)nc1 96160286 MFTYQFCHHHTKNR-MOPGFXCFSA-N 347.459 1.164 0 40 EDAB O=C(c1cccs1)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 96202340 KSCJTMXMOCDLCQ-KRWDZBQOSA-N 344.440 1.907 0 40 EDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1nc2cnccc2s1 585110735 MMHJZLAJHRUDAW-HNNXBMFYSA-N 334.401 1.059 0 40 EDAB O=C(Cc1cccc(O)c1)NCCNc1nccc(C(F)(F)F)n1 96415640 QGTOODLWADHMPJ-UHFFFAOYSA-N 340.305 1.972 0 40 EDAB COC(=O)[C@@H](C)NC(=O)Cc1nn(CC(C)C)c(=O)c2ccccc12 95475194 BVDJVIMNMRAWLS-GFCCVEGCSA-N 345.399 1.273 0 40 EDAB Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)N2CCCC2)cs1 96055668 UTAUMLWDQIZDPX-UONOGXRCSA-N 334.445 1.843 0 40 EDAB CC1(C)CCN(C(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)CCS1(=O)=O 249050856 XKNIRKZCYJHIIQ-QSLWVIQJSA-N 326.462 1.640 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC[C@@H]1O 257341050 ZIQQRQKBZSQNMQ-KBPBESRZSA-N 344.333 1.807 0 40 EDAB Cc1ccnc([C@@H]2CCN(C(=O)CN(C)Cc3cccnc3)C2)n1 257317085 VIIPKJPYPCBODQ-MRXNPFEDSA-N 325.416 1.628 0 40 EDAB CN1CCN(CC2=CC(C)(C)N3C(=O)C(=O)c4cc(F)cc2c43)CC1 253495533 IDIMOXZZJYMBMI-UHFFFAOYSA-N 343.402 1.778 0 40 EDAB Nc1nccnc1C[C@@H]1CCCN(C(=O)CCCn2ccnc2)C1 257309197 TZXSBJHNVUYIGY-AWEZNQCLSA-N 328.420 1.517 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N1CCC(n2nccn2)CC1 253472232 KLMGNJJPBKFSAH-UHFFFAOYSA-N 340.380 1.452 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)CCn2ccc(C)n2)n1 257341858 ZMEVXAIHHLQOQW-CQSZACIVSA-N 344.419 1.322 0 40 EDAB Cc1nc(O)cc([C@H]2CN(Cc3ccccc3C(=O)O)CCO2)n1 257200122 ACCFADHEAYMVHW-OAHLLOKOSA-N 329.356 1.762 0 40 EDAB CC(C)n1nccc1C(=O)N1CCO[C@H](CCc2cc(O)ncn2)C1 257225466 FGHVLBRLSCMFLA-CQSZACIVSA-N 345.403 1.433 0 40 EDAB Cc1ccc(=O)n(CC(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)n1 257203258 APGGLKYERKXCLR-OAHLLOKOSA-N 341.415 1.074 0 40 EDAB Cc1nc2ccc(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)nn2n1 252493943 NGZDGLBKILTICR-UHFFFAOYSA-N 349.398 1.917 0 40 EDAB Cc1nccc([C@H]2CCCN(C(=O)CN3CCN(C(C)C)CC3)C2)n1 257335627 YLCWOUJFASUYTQ-KRWDZBQOSA-N 345.491 1.517 0 40 EDAB CC(=O)N1CCC(c2nccnc2CNC(=O)[C@@H]2CCCCO2)CC1 257325096 WRKYMEJXAQQRKC-INIZCTEOSA-N 346.431 1.388 0 40 EDAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCN1S(C)(=O)=O 25320459 UIOOAPFDICJREF-CYBMUJFWSA-N 348.827 1.862 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2ocnc2C)n1 257321414 WBOMMNSESKERKG-CQSZACIVSA-N 329.360 1.386 0 40 EDAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2cccnc2C(F)(F)F)C1 262328241 UMYHMHBWIAVULQ-QMMMGPOBSA-N 338.307 1.586 0 40 EDAB CC1(C)CNC(=O)c2c(C(=O)N[C@H]3C[C@H](N)C34CCC4)coc2C1 1615555869 YUMLGZVICRAMAU-STQMWFEESA-N 331.416 1.591 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)no1 96096523 FWAYZPKLVCQUPF-CQSZACIVSA-N 342.355 1.263 0 40 EDAB Cc1cc(NC(=O)C(=O)NCCc2ccc3c(ccn3C)c2)no1 390830722 MVXKKKGOLXOXSC-UHFFFAOYSA-N 326.356 1.772 0 40 EDAB O=C(/C=C/c1cccs1)NCCN1C(=O)c2cccnc2C1=O 390831401 RPCOVNDRZIOXED-AATRIKPKSA-N 327.365 1.569 0 40 EDAB COCC(=O)N1CC2(C[C@@H](OCc3csc(C)n3)CCO2)C1 575406201 XXNSMDCVTSTXOY-ZDUSSCGKSA-N 326.418 1.375 0 40 EDAB CC(C)CC(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3cccnc3)[C@H]2C1 575405150 RIWIXNNKFFORFJ-BZUAXINKSA-N 331.416 1.331 0 40 EDAB O=C(C1CC(O)C1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 585108773 BSGSWPPOHFHUHD-LMNGEROHSA-N 332.400 1.128 0 40 EDAB O=C(NC[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21)c1cscn1 585095133 CHIPWXSOZTYOFT-CYBMUJFWSA-N 345.428 1.453 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(COCCN(CC(C)C)C2)CC1=O 585105002 XPICIKPTUZCNSU-SFHVURJKSA-N 335.448 1.998 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C[C@H](O)COC[C@@H]2CCCO2)c1 70040428 UEFITWMWCDTTBP-BZSNNMDCSA-N 337.464 1.603 0 40 EDAB Cc1nnc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)s1 68647223 CLWZCNALTOZQLE-ZETCQYMHSA-N 338.311 1.948 0 40 EDAB CCc1ncnc(N2CC[C@@H](NC(=O)Cn3nccc3C)C2)c1F 1058563178 BQPQOHKXBAETGG-GFCCVEGCSA-N 332.383 1.078 0 40 EDAB COc1cccc([C@H]2CCCN2C(=O)CN(C)S(C)(=O)=O)c1 46185790 FZVISQGTVNMLTJ-CQSZACIVSA-N 326.418 1.250 0 40 EDAB Cc1nc(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)no1 95949513 SJWGXVBOCHGSDV-UHFFFAOYSA-N 338.415 1.882 0 40 EDAB Cc1cc(C)n(CC2CCN(S(=O)(=O)c3cccnc3)CC2)n1 85436410 XZNIQXHRVRAMAZ-UHFFFAOYSA-N 334.445 1.996 0 40 EDAB Cn1cc(CC(=O)Nc2ccc(I)cn2)cn1 96423217 NVSNMJOMSIPMID-UHFFFAOYSA-N 342.140 1.601 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC(n2nc(-c3ccccc3)oc2=O)CC1 12184047 ZCRPYFYJRRHVBZ-HNNXBMFYSA-N 343.383 1.846 0 40 EDAB COCCn1c(=O)n(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c2cccnc21 12221973 LUURIHPRAXFYAK-KBPBESRZSA-N 346.431 1.349 0 40 EDAB COC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 16267419 IVZBVOGNEHKPFD-AWEZNQCLSA-N 342.461 1.383 0 40 EDAB CC1(C)CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3C[C@H]1CCCO1 19818785 BSCWMJKWQPDVPB-SNVBAGLBSA-N 343.383 1.419 0 40 EDAB O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@H]1CCCO1 225557200 YYVODWIYIVAUJQ-MRXNPFEDSA-N 325.453 1.356 0 40 EDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cc(F)ccc1F 643587077 SLKOBRXRWRUZRP-ZSYWTGECSA-N 349.377 1.474 0 40 EDAB Cc1cc(NC(=O)[C@@]2(C(=O)OC(C)(C)C)CC=CCC2)nc(O)n1 593115877 LYGVLNZQMYCTER-QGZVFWFLSA-N 333.388 2.497 0 40 EDAB NC(=O)NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1CC2 5303247 RYYOKVRAPUYNQS-UHFFFAOYSA-N 330.365 1.865 0 40 EDAB Cc1ccnc(N2C[C@@H]3CN(c4cc(C)nc5ncnn45)C[C@H]3C2)n1 1888876011 QWOOYFHDIMZNEH-KBPBESRZSA-N 336.403 1.104 0 40 EDAB Cc1ncnc(C(=O)N2CC3(C[C@H](NCC4CC4)CS3)C2)c1C 2056223495 OOXAOTOFKLHRDV-AWEZNQCLSA-N 332.473 1.793 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 41777721 SJZDBQQGRYKAMR-AWEZNQCLSA-N 335.379 1.692 0 40 EDAB Cc1noc([C@H]2CCC3(CCN(C(=O)CC4(O)CCC4)CC3)O2)n1 1614939664 VNGUWTAHQMXURJ-CYBMUJFWSA-N 335.404 1.896 0 40 EDAB CCN(C)C(=O)c1cnc2n1C[C@@H](NC(=O)CCc1ccc[nH]1)CC2 1565555414 HNPZWLIKINYOJY-AWEZNQCLSA-N 343.431 1.367 0 40 EDAB CC(C)NC(=O)C(=O)NCCCCN1CCO[C@@H](c2ccccc2)C1 17113406 COHGSMBWEGBDBL-QGZVFWFLSA-N 347.459 1.481 0 40 EDAB Cc1ccccc1Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 29422040 RYPHCLQAWDFPDW-UHFFFAOYSA-N 332.425 1.990 0 40 EDAB CC(C)n1cnc(S(=O)(=O)NC[C@@H](c2ccco2)n2cccn2)c1 575613391 GUPGNLFSKHNIIR-ZDUSSCGKSA-N 349.416 1.821 0 40 EDAB O=S(=O)(CCC(F)(F)F)NCc1cn(-c2ccsc2)nn1 585408968 NUAYDCPFUPNJKV-UHFFFAOYSA-N 340.352 1.701 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)N[C@H]2CCSC2=O)CC1=O 20371741 WXZLBXOZKNMLLC-OLZOCXBDSA-N 332.425 1.750 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)CN2CCOCC2)cc1C 40528170 DPSCENYFMITHMO-CQSZACIVSA-N 342.461 1.393 0 40 EDAB C[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)N1CCOCC1 40511120 GIRFLELPEOGFPW-LBPRGKRZSA-N 332.379 1.666 0 40 EDAB CN(CCCOc1ccc(F)cc1)S(=O)(=O)c1cnn(C)c1 40539671 UVTGUEWDZYGSEC-UHFFFAOYSA-N 327.381 1.649 0 40 EDAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(C(C)=O)CC3)c2c1 20716400 PDPQZHMEOGVVNQ-INIZCTEOSA-N 331.372 1.466 0 40 EDAB CN(C)C(=O)CN1CCN(Cc2ncc(-c3ccccc3)o2)CC1 32543156 LMPGKNRXVNEOBT-UHFFFAOYSA-N 328.416 1.547 0 40 EDAB CCN(CC)C(=O)Cc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1 32686348 WNJDCODQPPKVPD-UHFFFAOYSA-N 337.401 1.491 0 40 EDAB Cc1ccc(CNC(=O)Cn2c(=O)[nH]c3ccsc3c2=O)cc1 423005 VJPBZTLTYLISSG-UHFFFAOYSA-N 329.381 1.376 0 40 EDAB CCOc1ccccc1C(=O)N1CCC(NC(=O)[C@H]2CCCO2)CC1 53108781 HXLZJHQDTJVQDQ-QGZVFWFLSA-N 346.427 1.985 0 40 EDAB C[C@@H](NC(=O)N1CCN(Cc2ccccc2F)CC1)c1nncn1C 46964376 BGXYDIBCBNMXAT-CYBMUJFWSA-N 346.410 1.543 0 40 EDAB O=C1CN(NC(=O)CCCOc2cccc3ccccc23)C(=O)N1 47059641 JRAIDCLWSQGCSA-UHFFFAOYSA-N 327.340 1.582 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C12CCCC2 72535895 CPTHIIRPHLSZLO-UONOGXRCSA-N 333.432 1.865 0 40 EDAB NS(=O)(=O)c1ccc(N2CCC[C@H](CO)C2)c(C(F)(F)F)c1 78543204 LNNNTDFFGSXAHT-VIFPVBQESA-N 338.351 1.562 0 40 EDAB C[C@H]1CN(C(=O)CCn2cnc3sccc3c2=O)C[C@H]1N(C)C 78895221 QHKGHXPGDBQTBR-WCQYABFASA-N 334.445 1.257 0 40 EDAB CN(CCO)Cc1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4 2227029 HMBOPWLWMYYYKQ-UHFFFAOYSA-N 347.444 1.614 0 40 EDAB Cc1nc(C)c(CC(=O)NCc2ccnc(N3CCCC3)c2)c(=O)[nH]1 42361237 HSIVTTPFVHDFFI-UHFFFAOYSA-N 341.415 1.241 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1oc2ccc(OC)cc2c1C 4524835 FPEBOSYQWWOVRF-SECBINFHSA-N 334.328 1.751 0 40 EDAB O=C(COC(=O)c1ccccc1O)NC(=O)NCCc1cccs1 12599272 QBVVFHIDWAFWBO-UHFFFAOYSA-N 348.380 1.679 0 40 EDAB O=C(NCCCCOc1ccc(F)cc1)c1ccc2n[nH]c(=O)n2c1 84414919 FUMASPQLBRZQPZ-UHFFFAOYSA-N 344.346 1.751 0 40 EDAB CNC(=O)[C@H]1CCC[C@]12CCN(S(=O)(=O)Cc1ccccc1)C2 108524100 WYZHERCFLWDPHR-NVXWUHKLSA-N 336.457 1.755 0 40 EDAB Cc1nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)[nH]c(=O)c1CCO 24747843 FHOSFHCJMPWCDV-GWCFXTLKSA-N 339.461 1.400 0 40 EDAB CC[C@@H](C)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 8391458 WVSXQISIAHINAO-GFCCVEGCSA-N 349.456 1.762 0 40 EDAB COC(=O)c1ccc(N2CCN(Cc3nc(C)no3)[C@H](C)C2)cc1 106178138 DYVKIZVPUCZBIJ-GFCCVEGCSA-N 330.388 1.875 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 24831134 FFRVHHCFDMDLHW-NEPJUHHUSA-N 349.456 1.402 0 40 EDAB C[C@H](C(=O)NCC(F)(F)F)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 107150505 LQGPBRDOHOPJQQ-RFGFWPKPSA-N 333.398 1.860 0 40 EDAB CCc1c(C(=O)NCC(F)(F)F)cnn1-c1ccc(OC)nn1 24857002 ZDRANOFBKZASKY-UHFFFAOYSA-N 329.282 1.525 0 40 EDAB CCCS(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC 57003170 DUEVGFUBIZRQEV-UHFFFAOYSA-N 334.825 1.959 0 40 EDAB C[C@@H](Sc1ccccn1)C(=O)Nc1cccc(S(N)(=O)=O)c1 9746293 VIXGIPSQRXWCKW-SNVBAGLBSA-N 337.426 1.848 0 40 EDAB COc1ccc(C)cc1CC(=O)NCc1nnc2nc(C)cc(C)n12 9908701 ZAZDRQFIJWKZIO-UHFFFAOYSA-N 339.399 1.917 0 40 EDAB NS(=O)(=O)c1cnc(N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)s1 108094922 IIPPWIHUAVMIJW-SDDRHHMPSA-N 342.490 1.101 0 40 EDAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccc(C)o1 44251127 UGKWVNYBUBPOCI-HNNXBMFYSA-N 333.388 1.855 0 40 EDAB CCOC(=O)CNC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 1907646 HBWJYJUHNFOQKH-LLVKDONJSA-N 333.340 1.548 0 40 EDAB biogenic COCC(=O)N1CCN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 57861533 PIWWRWUOMRVJQO-AWEZNQCLSA-N 341.452 1.177 0 40 EDAB O=C(c1ccnc(-n2ccnc2)c1)N1CCN(Cc2ccccn2)CC1 58059870 IRVGNQCBSZBNAK-UHFFFAOYSA-N 348.410 1.620 0 40 EDAB O=C(Nc1cc(F)cc(F)c1)C1=CC=CN2CCS(=O)(=O)N=C12 12795139 OFMRXTVXXHYOPW-UHFFFAOYSA-N 339.323 1.401 0 40 EDAB CN(Cc1cccs1)C(=O)CN1CCN(c2ncccn2)CC1 58164916 RMXCLROMCYHECE-UHFFFAOYSA-N 331.445 1.319 0 40 EDAB COc1cc(CCC(=O)N[C@H](C(N)=O)c2ccccc2)cc(OC)c1 10268522 FZZGIOBUHFCTIK-SFHVURJKSA-N 342.395 1.979 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1 58210127 ZSEAQLPLYGISSM-KRWDZBQOSA-N 327.340 1.994 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 58245222 YLAPJVSVVMRKDV-LLVKDONJSA-N 330.837 1.829 0 40 EDAB CS(=O)(=O)c1ccc(OCCCC(=O)NCC(F)(F)F)cc1 58265313 CSTKGMTXIAHDCW-UHFFFAOYSA-N 339.335 1.928 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)NCCC(=O)NCc1ccccc1 58292197 KIKYAHZKOJGTIJ-AWEZNQCLSA-N 339.461 1.402 0 40 EDAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@H](C)C(C)C 44954035 DQZCRRRWZDKEIS-OAHLLOKOSA-N 346.475 1.846 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NCc1cccc(N2CCCC2=O)c1 44970498 MEDLYEXGJSFUTH-UHFFFAOYSA-N 341.415 1.889 0 40 EDAB CCOC(Cn1cc(C(=O)NCCc2ccccn2)nn1)OCC 58380762 SUWUANZIPATKTC-UHFFFAOYSA-N 333.392 1.045 0 40 EDAB Cc1ccc(-c2noc([C@@H](C)N3CCN(CCO)CC3)n2)cc1F 48366472 AIHUYQCEKQTFRJ-CYBMUJFWSA-N 334.395 1.855 0 40 EDAB CNc1ccc(NC(=O)NCc2cccnc2N2CCOCC2)cn1 48308600 YWBJJXXZIAVHHW-UHFFFAOYSA-N 342.403 1.677 0 40 EDAB CC(=O)c1ccc(NC(=O)CCc2c(C)nc3ncnn3c2O)cc1 36569715 KEVOFFLIQCAWHW-UHFFFAOYSA-N 339.355 1.912 0 40 EDAB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccccc1 28914106 JZFSTJWXUSGRBK-MRXNPFEDSA-N 345.399 1.190 0 40 EDAB Cc1cnc2c(S(=O)(=O)NCCCN3CCCC3=O)cccc2c1 29376296 XTEFDLSTIGXIIX-UHFFFAOYSA-N 347.440 1.834 0 40 EDAB C[C@H](CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCOCC1 29961999 PWHASRNTOXMNQD-BXUZGUMPSA-N 335.379 1.088 0 40 EDAB C[C@H]1CCCCN1C(=O)COC(=O)c1ccc(-n2cnnn2)cc1 3416545 ZUXOADLFQLFIMY-LBPRGKRZSA-N 329.360 1.220 0 40 EDAB COc1ccc(Br)c(C(=O)O[C@@H](C)C(=O)NC(N)=O)c1 3523168 UDGVSHYDNLJLRC-LURJTMIESA-N 345.149 1.198 0 40 EDAB CCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 12926116 CSYGRUZUQDLDPA-UHFFFAOYSA-N 340.445 1.816 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)O)n2C 3886615 GSFPGLYRCBMJNH-UHFFFAOYSA-N 339.417 1.621 0 40 EDAB O=C(O)C1(NS(=O)(=O)c2ccc3c(c2)OCCO3)CCCCC1 13262861 IXDXSDQOCBJSDR-UHFFFAOYSA-N 341.385 1.524 0 40 EDAB CCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 13371056 UCPUCXLXWNKHSZ-QWRGUYRKSA-N 337.488 1.077 0 40 EDAB C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC1CC1 71333363 FMWODUOVWJIPFA-GFCCVEGCSA-N 334.395 1.324 0 40 EDAB COc1ccnc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)n1 64248333 AAIXQSILTHTNGN-UHFFFAOYSA-N 342.359 1.450 0 40 EDAB CCCCN1C(=O)N[C@@](NC(=O)c2cccnc2)(C(F)(F)F)C1=O 13628143 BTFMFWLYKAVMKO-CYBMUJFWSA-N 344.293 1.422 0 40 EDAB O=C(c1ccccc1)N1CC(S(=O)(=O)NCc2ncccc2F)C1 96000308 DMUILSDTVJOQEW-UHFFFAOYSA-N 349.387 1.165 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1cccs1)C2=O 4308810 RGGVNGYPHUJQHN-ZBEGNZNMSA-N 335.429 1.865 0 40 EDAB COc1cc(CNC(=O)Cc2cccc(F)c2)ccc1OCC(N)=O 65463296 KCKMHEQBMJQVJM-UHFFFAOYSA-N 346.358 1.557 0 40 EDAB CC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)NCCC(C)C)cc1 6347889 KIWYQXCYENXOIU-UHFFFAOYSA-N 349.387 1.674 0 40 EDAB COCCn1cc(Nc2ccc3nnc(C(F)(F)F)n3n2)cn1 65595019 PZKWWQRRTUYIGC-UHFFFAOYSA-N 327.270 1.730 0 40 EDAB Cc1ccccc1CCNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 65590453 FPIHWRIQJWHBMG-HNNXBMFYSA-N 339.461 1.261 0 40 EDAB CCNC(=O)c1cccc(NC(=O)CNC(=O)c2cccs2)c1 14200410 JOYIXUWMRCHLTM-UHFFFAOYSA-N 331.397 1.866 0 40 EDAB NC(=O)c1cnn(CCOC(=O)[C@H]2C[C@@H]2c2ccccc2F)c1N 72289701 GMFXOWNHTYDMIL-MNOVXSKESA-N 332.335 1.050 0 40 EDAB CCOC(=O)N[C@H]1CCCN(Cn2nc(N(C)C)sc2=S)C1 66448043 YFXBEUHAAVXPLK-JTQLQIEISA-N 345.494 1.908 0 40 EDAB CC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2CCN1CCCCC1 9418783 KMXPXNIFHRHHMK-UHFFFAOYSA-N 349.456 1.759 0 40 EDAB CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 15359279 WGAQZWXZVOWKFC-HNNXBMFYSA-N 332.381 1.389 0 40 EDAB NC(=O)c1cnc2n1CCN(C(=O)c1cccc(-c3cn[nH]c3)c1)C2 67850862 QVUORAKJRJYJRZ-UHFFFAOYSA-N 336.355 1.028 0 40 EDAB C[C@@H](CO)NC(=O)NC[C@@H](C)Oc1cccc(Br)c1 80546601 IKCGTMGUCJTXHR-VHSXEESVSA-N 331.210 1.896 0 40 EDAB Cc1ccc2nc(Cn3nnc(-c4ccc(F)cc4)n3)cc(=O)n2c1 7606934 VMFDAZLZAKOJGL-UHFFFAOYSA-N 336.330 1.844 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)Nc1nnc(C2CC2)s1 7735207 CCUCJKKTHXALFO-UHFFFAOYSA-N 330.369 1.780 0 40 EDAB COc1cc2c(cc1/C=C/C(=O)N1CCC[C@H](C(N)=O)C1)O[C@@H](C)C2 7989645 GCIMHWCZAZZBDN-GSKXSAQWSA-N 344.411 1.756 0 40 EDAB O=C(COc1ccccc1)NCC(=O)Nc1ccc2c(c1)OCO2 8180443 JUQFYUVGXMBUPG-UHFFFAOYSA-N 328.324 1.549 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NS(=O)(=O)N1CCc2ccccc21 71859322 IWVLKEQUDVHDLG-UHFFFAOYSA-N 348.428 1.003 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2csc(-c3ccccn3)n2)CC1 71871401 AAZBDWMUBFNXML-LBPRGKRZSA-N 332.429 1.344 0 40 EDAB CCOC(=O)[C@@H]1CNC(=O)C12CCN(C(=O)OC(C)(C)C)CC2 91302902 WSOVAVPSJOTMGD-NSHDSACASA-N 326.393 1.313 0 40 EDAB in-vitro CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCc1nnc2ccccn12 69347432 JPBMEKJXCDJNBF-LLVKDONJSA-N 347.444 1.293 0 40 EDAB CCCNC(=O)C1(NC(=O)CNC(=O)CC(C)(C)C)CCCCC1 69386438 RBRBXIPJBSBBBI-UHFFFAOYSA-N 339.480 1.884 0 40 EDAB C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 69348425 RZDDEYTUKILVLD-TZMCWYRMSA-N 340.445 1.542 0 40 EDAB O=C1CCCN1Cc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1 24996254 ILDMAUYGEWBUNB-UHFFFAOYSA-N 344.411 1.788 0 40 EDAB COCCNC(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C 69460683 HVTWPFHTVOFXOW-ZDUSSCGKSA-N 335.404 1.340 0 40 EDAB CC(C)(C)C[C@@H](NC(=O)CN1CC(=O)NC1=O)c1ccc(F)cc1 71897895 CCGQZBLQKNDOFZ-CYBMUJFWSA-N 335.379 1.971 0 40 EDAB O=C(c1n[nH]c(O)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 71819825 MRTPQJAMOWJWAT-NSHDSACASA-N 330.344 1.649 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H]1Cc3cc(Cl)ccc3O1)C2 69592440 JGMOWRRBUJXGEG-ZDUSSCGKSA-N 332.791 1.840 0 40 EDAB COc1ccc(CC(=O)NCc2nc(-c3ccco3)n[nH]2)cc1OC 69537429 OHMMVVXHGUCRMZ-UHFFFAOYSA-N 342.355 1.941 0 40 EDAB Cc1nc([C@H](C)NC(=O)NCc2cccnc2-n2cncn2)cs1 71886640 XVWDKVIGLQIDCD-JTQLQIEISA-N 343.416 1.988 0 40 EDAB Cn1c(CN2CCC[C@@H]2Cc2ccccc2Cl)cc(=O)n(C)c1=O 71824808 CZOANBBLASUDTG-CQSZACIVSA-N 347.846 1.945 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCCOc1ccc3c(c1)CCC(=O)N3)CC2 69702828 UZYAQKXFZGTQRC-AWEZNQCLSA-N 341.415 1.455 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 71902960 GXNGEGXJZDUXKF-MWLCHTKSSA-N 342.383 1.457 0 40 EDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C1=NO[C@@H](c2ccccc2)C1 71903685 NVFMPPTTYNIDDY-IUODEOHRSA-N 338.429 1.786 0 40 EDAB O=C(NCCc1cccs1)Nc1ccn(CCN2CCOCC2)n1 71912171 ICKAYWFEUNDMIL-UHFFFAOYSA-N 349.460 1.641 0 40 EDAB O=C(c1ccc(Br)o1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269085 KRLBXAOKZFWENM-QWRGUYRKSA-N 343.221 1.713 0 40 EDAB O=C(NCCN1CCCC1)c1ccc(NC(=O)C2CCOCC2)cc1 71900064 QGLFCGYNTHYUSA-UHFFFAOYSA-N 345.443 1.877 0 40 EDAB CN(Cc1nccn1CC(F)(F)F)CC1CCN(CCO)CC1 69949010 DJVPOXFPKHOWPO-UHFFFAOYSA-N 334.386 1.582 0 40 EDAB NC(=O)[C@H]1CCCN1CCCNC(=O)Nc1cccc2cccnc12 72271483 AVGDHIJVAROAHW-OAHLLOKOSA-N 341.415 1.696 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCSC[C@H]2CC(=O)O)cc1 95403625 WIDQWHVHFLZRGU-CQSZACIVSA-N 336.413 1.355 0 40 EDAB CCc1nc(C(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c[nH]1 95407363 NRRDAPBESMKJAL-WMLDXEAASA-N 342.443 1.991 0 40 EDAB Cc1nsc(N2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)CC2)n1 95939794 UWVCWVPYTJLKKJ-CQSZACIVSA-N 335.477 1.370 0 40 EDAB C[C@H]1CN(C(=O)c2cccc(F)c2Cl)CCN1S(C)(=O)=O 95989050 RBNZVMKHWVSVOF-VIFPVBQESA-N 334.800 1.585 0 40 EDAB Cc1cc([C@@H]2CCCN2C(=O)CN(C)c2ncnc3[nH]cnc23)on1 95954242 JKQINJFAXZALHH-NSHDSACASA-N 341.375 1.449 0 40 EDAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCOCC2)C1=O 85594548 BKBAVUPWNZUBTL-ZDUSSCGKSA-N 338.791 1.621 0 40 EDAB CN1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H]1c1ccc(Cl)c(F)c1 89375085 AAHHGFMTXGXIHN-OCCSQVGLSA-N 338.774 1.027 0 40 EDAB CN1CCN(C[C@H](NC(=O)NCc2ccon2)c2ccccc2)CC1 89382684 DBAKRGZNLVTADN-KRWDZBQOSA-N 343.431 1.463 0 40 EDAB COc1ccc(OC)c(CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 89335185 RVYMTZQCUNAMEY-LBPRGKRZSA-N 342.417 1.032 0 40 EDAB Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 89593942 VZBYBLQWVVPKBP-FRRDWIJNSA-N 349.412 1.886 0 40 EDAB Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(=O)[nH]1 75118155 WGRLZHGVYQFSJK-MRXNPFEDSA-N 341.411 1.314 0 40 EDAB C[C@H]1CCCN(CCCNC(=O)NCc2nnc3ccccn23)C1 89929799 USURIPHDQOGZTA-AWEZNQCLSA-N 330.436 1.651 0 40 EDAB C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1nncn1C 89913958 RJLYCZWHGNXAME-CHWSQXEVSA-N 332.408 1.605 0 40 EDAB CCC(=O)N1CC[C@H](N[C@@H]2CCN(CC(F)(F)F)C2=O)[C@@H](C)C1 76056249 FMHBCRHXFUJRES-SDDRHHMPSA-N 335.370 1.386 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)c3cccnc3NC(C)C)CCO2)n1 76051409 WIUSPMTWGVTREA-CYBMUJFWSA-N 330.392 1.542 0 40 EDAB Cc1noc([C@@H](NC(=O)NC[C@@]2(C)CCCO2)C2CCOCC2)n1 548017739 MJVBMYSHIYLJNH-XJKSGUPXSA-N 338.408 1.714 0 40 EDAB O=C1CN(C(=O)Cc2nnc(O)c3ccccc23)[C@@H]2CCCC[C@@H]2N1 532343370 ZMJOQMWZCKXNNH-DZGCQCFKSA-N 340.383 1.148 0 40 EDAB Cn1c(CCNC(=O)CNC(=O)c2ccoc2)nc2cc(F)ccc21 77005067 IFXPEOJGZCMIEZ-UHFFFAOYSA-N 344.346 1.394 0 40 EDAB CC(C)(C)c1noc(-c2ccccc2C(=O)N2CC[C@H](C(N)=O)C2)n1 78718373 HYDOQOYOVNNZFF-NSHDSACASA-N 342.399 1.982 0 40 EDAB COC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 70655689 LTOGUKNODJEEBZ-KDOFPFPSSA-N 334.416 1.170 0 40 EDAB CN(C)c1ncccc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 78879546 ASLAYUYHVNSSQR-LBPRGKRZSA-N 334.420 1.887 0 40 EDAB Cc1nc(CCC(=O)NCc2ccncc2)cc([C@H]2CCCNC2)n1 72366929 CSZFPLVGBHFNOB-INIZCTEOSA-N 339.443 1.896 0 40 EDAB CS(=O)(=O)[C@@H]1[C@@H](C(N)=S)[C@@H]1c1ccc(Br)cc1 218199008 ZPJOFTHBLNKGLK-GUBZILKMSA-N 334.260 1.862 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2ncc(F)cn2)[C@H](C(=O)O)C1 72203003 UBVZNVJMDUNGPZ-JTQLQIEISA-N 326.328 1.126 0 40 EDAB O=C(O)[C@@H]1CC12CCN(S(=O)(=O)c1cnn(CC(F)F)c1)CC2 570626623 ZFSATJIWULQPRW-JTQLQIEISA-N 349.359 1.024 0 40 EDAB Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]2C(N)=O)c1 195571738 DRUVKBCROMHMJX-NSHDSACASA-N 347.234 1.396 0 40 EDAB Cc1cccc(OC[C@H]2C[C@@H](NC(=O)NC3CCCC3)[C@H](O)[C@@H]2O)n1 225504777 ZPXHINBUOPDRGE-WNOSKKOXSA-N 349.431 1.121 0 40 EDAB biogenic,in-vitro O=C(NCc1ccnc(N2CCOCC2)c1)[C@H]1CCc2[nH]cnc2C1 225512602 UEZDMMWBORTTRL-AWEZNQCLSA-N 341.415 1.063 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)CN(C)C(C)=O)cc1 583616036 DTMHADOYNPHDBB-SJLPKXTDSA-N 334.416 1.372 0 40 EDAB COc1cc(N2CCC3(CC2)CN(c2ncccn2)CCO3)ncn1 96159028 FBPKYNKEMXSYKM-UHFFFAOYSA-N 342.403 1.151 0 40 EDAB Cc1cc(O)nc(N2CCC(NC(=O)NCc3ccco3)CC2)n1 238891992 QRQGXXOBOKNVDF-UHFFFAOYSA-N 331.376 1.552 0 40 EDAB Cc1ccc(CNC(=O)N2CCCN(c3nc(C)ns3)CC2)cn1 96439115 IBPPOEWRDWRDLX-UHFFFAOYSA-N 346.460 1.972 0 40 EDAB Fc1cnc(N2Cc3cncn3C[C@@H](COc3ccccn3)C2)nc1 96208330 BDZWRXFVXDMUKU-ZDUSSCGKSA-N 340.362 1.923 0 40 EDAB COc1ccc(NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 96404156 KDKGECNTHYBWMS-LBPRGKRZSA-N 346.362 1.695 0 40 EDAB Cc1occc1C(=O)N1CCC2(CCCN2S(C)(=O)=O)CC1 96049356 RMPCPVQLONUXIO-UHFFFAOYSA-N 326.418 1.618 0 40 EDAB Cn1cccc1C(=O)N1Cc2nccn2C[C@H](CN2CCCC2)C1 96188368 CPCQWSBPSYEGKS-HNNXBMFYSA-N 327.432 1.590 0 40 EDAB CCCN1CCCN(S(=O)(=O)c2cnc3onc(C)c3c2)CC1 96413034 YHMZIUIXHAHZQG-UHFFFAOYSA-N 338.433 1.638 0 40 EDAB CN1CCC(C(=O)N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)CC1 97953888 FRNHWVFHMRSOAM-SOUVJXGZSA-N 346.431 1.577 0 40 EDAB O=C(Cc1ccsc1)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 247805930 BCUBPWNBFFRSCT-CQSZACIVSA-N 345.424 1.920 0 40 EDAB COCCN1C[C@H](COC)C2(CCN(C(=O)c3ccoc3)CC2)C1 247831610 HMXUPUSIZWSUNS-MRXNPFEDSA-N 336.432 1.727 0 40 EDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)Cc3cccnc3)C[C@@H]21 257238114 HJQCIVLUPZBOHT-IXDOHACOSA-N 337.427 1.788 0 40 EDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2sc(Cl)nc2c1 585087331 YGJRUDQHYCHVCI-ZETCQYMHSA-N 347.849 1.753 0 40 EDAB C[C@@H]1CC(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)C[C@@H](C)C1 585090349 YZNPVYBEIFXVAF-MJVIPROJSA-N 337.395 1.252 0 40 EDAB O=C(c1ncc[nH]1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 257297488 RHLHEQGGPSSPQQ-HNNXBMFYSA-N 342.390 1.498 0 40 EDAB C[C@@H](C[S@](C)=O)NC(=O)NC1CCN(c2nccs2)CC1 252491960 MAHGQPRLYMUXNH-CWKPULSASA-N 330.479 1.178 0 40 EDAB Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)c1 257237221 HFPUTQJOJQDECU-FOLVSLTJSA-N 347.440 1.898 0 40 EDAB CC(C)c1cc(C(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)on1 257208277 BLLQPZKSLSXKRX-CYBMUJFWSA-N 346.387 1.767 0 40 EDAB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(-n2ccnn2)ccc1F 585114362 QHLGOLINSULNAL-DGCLKSJQSA-N 334.351 1.929 0 40 EDAB O=C(NCCCn1cccn1)NCc1cnc(Br)cn1 585137776 SPLCNVZFERXSLW-UHFFFAOYSA-N 339.197 1.325 0 40 EDAB CN(C)c1cccc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1 257320836 VYUSVAIHUOQQQD-INIZCTEOSA-N 343.431 1.414 0 40 EDAB O=C(c1ccc(F)cc1)N1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 257290590 QDNGSLIXWDLVPC-HOTGVXAUSA-N 348.374 1.057 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 257306035 SSQAHSGAOFVOOE-MRXNPFEDSA-N 328.416 1.993 0 40 EDAB Cc1n[nH]c(C)c1-c1cncc(C[C@H]2CCCN(S(C)(=O)=O)C2)n1 257254043 KBIMHZJMDWZJTP-CYBMUJFWSA-N 349.460 1.698 0 40 EDAB COc1ncccc1C(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257202200 AKVXQHDJPOFRIN-CHWSQXEVSA-N 341.358 1.007 0 40 EDAB CCCn1nccc1-c1cnc([C@H]2CCCN2S(C)(=O)=O)cn1 257318212 VMZGLVIIYJWWQF-OAHLLOKOSA-N 335.433 1.847 0 40 EDAB O=C(c1cncnc1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 257203870 ARZMZZAVXAOFTF-LJQANCHMSA-N 338.411 1.112 0 40 EDAB Nc1cc(CC[C@@H]2CN(C(=O)CN3CCCCC3)CCO2)ccn1 257322494 WGEKTHSMWBEQTL-MRXNPFEDSA-N 332.448 1.310 0 40 EDAB NC(=O)c1cnn2c([C@H]3CCCCN3Cc3ccccn3)ccnc12 257208857 BNVMVMCYYAENGQ-OAHLLOKOSA-N 336.399 1.950 0 40 EDAB Cc1cccc(C2=CCN(C(=O)NCc3nnn(C)n3)CC2)c1C 1615571732 OOYFDEGFEPEHGT-UHFFFAOYSA-N 326.404 1.826 0 40 EDAB COCc1nc(C(=O)NC[C@@H]2OCCc3sc(F)cc32)no1 1615578512 LSWOXUPXOCCXFE-QMMMGPOBSA-N 327.337 1.460 0 40 EDAB COCC(=O)N1CCN(Cc2cc(O)cc(C(F)(F)F)c2)CC1 290411413 LLDZVLQCFUTLEQ-UHFFFAOYSA-N 332.322 1.702 0 40 EDAB Cc1ccc(CNC(=O)N[C@H]2CCCNC2=O)c(OCC2CC2)c1 297945716 MFPVKLLGDCCUNM-HNNXBMFYSA-N 331.416 1.862 0 40 EDAB COc1ccc([C@@H]2NC(=O)[C@@H](c3ccc(OC)cc3)NC2=O)cc1 144514211 ZWGLQYYQYWBZRJ-IYBDPMFKSA-N 326.352 1.732 0 40 EDAB O=C(NC1CCCC1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)C2CC(F)C2)O1 585108722 JTPPPAUWQALIFI-NIVQVHKNSA-N 338.423 1.942 0 40 EDAB Cc1ccc(OCC(=O)N2CC(F)(F)C[C@]3(CCNC3=O)C2)cc1 585093146 FCQIULKJIBCKJL-MRXNPFEDSA-N 338.354 1.748 0 40 EDAB CNC(=O)[C@]1(C)CN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)CCO1 585284940 KJYKLIFYJKNCGA-YSIASYRMSA-N 346.471 1.912 0 40 EDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccc(C)cc1)[C@@H]2C 585097163 IDTNYUQRVGNWIT-GFCCVEGCSA-N 336.417 1.498 0 40 EDAB O=C(C1CC(F)C1)N1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1 585094645 GQJSESMWOOZXHH-ORHYLEIMSA-N 336.367 1.069 0 40 EDAB CN1C[C@@]2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O 585104857 VKCDRUPMCZBFRT-ZDUSSCGKSA-N 330.310 1.181 0 40 EDAB CC(C)CN(Cc1cccn1-c1ccccn1)[C@@H]1COC[C@@H](O)[C@H]1O 585292302 ZWZBIUVJCQPPLV-LMMKCTJWSA-N 345.443 1.451 0 40 EDAB CCOc1ccc(S(=O)(=O)NCC2(O)CCOCC2)cc1F 70638963 LQSFXPWZSFXBRD-UHFFFAOYSA-N 333.381 1.044 0 40 EDAB COc1ccc(CC(=O)N2CCN(Cn3cc(Cl)cn3)CC2)cc1 71833145 GCFKHXIMHMNQJL-UHFFFAOYSA-N 348.834 1.890 0 40 EDAB O=C(c1onc2c1CCCC2)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1066040035 MKYFYOSLKUSBQQ-BETUJISGSA-N 339.399 1.552 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@@H]1N1CCOCC1 84736010 BEBDSKBOXZVUDL-YPMHNXCESA-N 337.445 1.030 0 40 EDAB Cn1cnc(CCNC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)n1 584288088 OJYNPSSRMHKMDY-OAHLLOKOSA-N 333.436 1.348 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 41398800 CYJGAYOWZBQEEW-UHFFFAOYSA-N 330.837 1.376 0 40 EDAB CCOCC(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1 15880805 BOXLVTKVJYTHRS-UHFFFAOYSA-N 335.385 1.522 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)on1 19119788 XIUFWHIOIIUCDR-LBPRGKRZSA-N 328.372 1.506 0 40 EDAB CC(=O)N1CC[C@H](c2ccnc3c(Cn4ccnc4C)c(C)nn23)C1 19707947 QUUFSWKCIGGPCC-HNNXBMFYSA-N 338.415 1.927 0 40 EDAB C[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@@H]12 169689618 LTJAGZKGLNGMHB-YYAJDYIMSA-N 340.379 1.356 0 40 EDAB C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc2ccccc2c1O 106922059 GNVHVUXANXZLML-CQSZACIVSA-N 327.428 1.911 0 40 EDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)nn1 225446640 YAZPXTCUSGMNJK-GFCCVEGCSA-N 343.387 1.702 0 40 EDAB CCOCC(=O)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225819664 QDCSUKOTJKNULW-UHFFFAOYSA-N 345.399 1.483 0 40 EDAB COCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 5438093 XXNNIEHYKXQJJN-UHFFFAOYSA-N 326.422 1.086 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)Nc1ccc2c(c1)nc(C)n2CCO 12147675 BRIPNWAJLJYUGF-UHFFFAOYSA-N 349.416 1.180 0 40 EDAB O=C(NCCCN1CCCC1=O)c1cccnc1O[C@H]1CCSC1 252539185 NVRIZLSVJBLTDQ-ZDUSSCGKSA-N 349.456 1.708 0 40 EDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1cn(C(C)C)cn1)CC2 575415725 XXDQGDUAGQDEKV-LBPRGKRZSA-N 341.433 1.428 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nccn1C)n2C 5112409 HDXIVQWZQIOHJL-UHFFFAOYSA-N 348.432 1.249 0 40 EDAB CNC(=O)C1CCN(CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 12334806 VTQLHRBXKIXMIE-AWEZNQCLSA-N 329.444 1.812 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 1565542089 LKBSMTJKXDJWSX-RHSMWYFYSA-N 343.387 1.053 0 40 EDAB Cc1cc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)no1 16848203 RUIDIVPNGPXXKL-UHFFFAOYSA-N 328.303 1.979 0 40 EDAB O=c1ccc2c(n1CC1CCOCC1)CCN(c1ncccn1)CC2 2055782266 XWVVAQILKLCSGZ-UHFFFAOYSA-N 340.427 1.670 0 40 EDAB CC(C)CCNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713568 IBOCLKXLNQXDMQ-CQSZACIVSA-N 332.448 1.844 0 40 EDAB CCS(=O)(=O)N1CCC2(CN(Cc3ccc(F)c(F)c3)C2)C1 2055803600 QBEHHBMKNUOCGN-UHFFFAOYSA-N 330.400 1.822 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCN(CC(F)(F)F)CC1 44451821 MQXKWQMMWPAPQA-UHFFFAOYSA-N 338.351 1.564 0 40 EDAB COc1cnc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)nc1 1152543985 DOJSZPUFYCKBSH-UHFFFAOYSA-N 349.398 1.664 0 40 EDAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H](O)c1cccs1 75156020 JRCBHIFPCBONJO-LBPRGKRZSA-N 338.816 1.868 0 40 EDAB O=C1C[C@]23c4ccccc4N4C(=O)C[C@@H]5OCC=C6CN1[C@H]2C[C@H]6[C@H]5[C@H]43 104289570 XFSGWRONALENOC-KFYONCRUSA-N 348.402 1.619 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 31396683 LHQBQTNZWOABOO-UONOGXRCSA-N 342.399 1.592 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)Cn3cccn3)CC2=O)cc1F 31399423 UYNKSFAHYHABPU-KBPBESRZSA-N 344.390 1.888 0 40 EDAB CC/C(NCCN(C)C)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 20328030 YEDJPXSZVYFZHR-CCEZHUSRSA-N 344.415 1.393 0 40 EDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(C(=O)[C@H]2CCCO2)CC1 41179499 UDLRQHPLQOCIAP-OAHLLOKOSA-N 344.371 1.133 0 40 EDAB Cc1cccc(NC(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1 32888455 FBUKCORLOJNUKG-INIZCTEOSA-N 345.443 1.504 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)Nc1cnn(-c2ncccn2)c1 72561465 CYZPFNZGNSVCCO-UHFFFAOYSA-N 327.348 1.931 0 40 EDAB CCOC(=O)CC[C@@H](NC(=O)c1ccccc1NC)C(=O)OCC 1734474 OBOHIWSCSNHNCI-CQSZACIVSA-N 336.388 1.733 0 40 EDAB COc1ccc(-c2noc(CN3C(=O)C(=O)N(C(C)C)C3=O)n2)cc1 22715133 ZTZFBERFTWXZSZ-UHFFFAOYSA-N 344.327 1.444 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 2503271 VQJTVMMIYKOCSX-UGUYLWEFSA-N 330.384 1.213 0 40 EDAB COc1c[nH]c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1=O 61721482 QPRCCYPNLLCPGD-UHFFFAOYSA-N 331.347 1.485 0 40 EDAB CC(C)C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N1CCOCC1 22970246 AWFMPKUDOAXHPW-AWEZNQCLSA-N 327.469 1.012 0 40 EDAB COC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 4064642 NNCKSAGIHJUGAY-YSLJYZQTSA-N 343.379 1.711 0 40 EDAB biogenic Cc1nc(C)c(CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c(=O)[nH]1 54148758 NDFDPUMJQWMQIB-QGZVFWFLSA-N 340.427 1.445 0 40 EDAB O=C1C[C@H](C(=O)NCc2nnc3n2CCCCC3)c2ccccc2N1 54518053 KWIMZZDFNSIWCE-ZDUSSCGKSA-N 339.399 1.747 0 40 EDAB COCCN1CCCC2(CCN(C(=O)c3ccncc3F)CC2)C1=O 108536323 YJTVRVNOWVAKPU-UHFFFAOYSA-N 349.406 1.712 0 40 EDAB CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 12521225 MFVAOOXNXWSISY-UHFFFAOYSA-N 344.389 1.998 0 40 EDAB CC[C@H]1CN(CCC(=O)N2CCc3ccccc32)CCN1C[C@H](C)O 106869317 SNCOEHLZUXRVLJ-WMZOPIPTSA-N 345.487 1.743 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)NOCc1ccccc1 25285375 DGFVAGUHCHTXQJ-UHFFFAOYSA-N 331.353 1.813 0 40 EDAB O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)NC[C@@H]1Cc2ccccc2O1 106901862 NNRJDNIPUOQKLY-CVEARBPZSA-N 340.427 1.709 0 40 EDAB COc1cccc([C@@H]2C[C@@H]2C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 107057437 AMHANXRHBVDHLA-FCLVOEFKSA-N 344.455 1.978 0 40 EDAB Cc1ccc(C)c([C@H]2CN(CCCS(N)(=O)=O)[C@@H](C)CO2)c1 107064423 RPZOSPHGNMRGDR-GOEBONIOSA-N 326.462 1.744 0 40 EDAB C[C@]1(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCCC[C@@H]1O 107150155 YXXXHDFRSDJJRI-COPLHBTASA-N 336.354 1.455 0 40 EDAB COCCNS(=O)(=O)c1ccc(C(=O)N2CCC(C)CC2)cc1 26641790 PUEODHUDHQUCEN-UHFFFAOYSA-N 340.445 1.483 0 40 EDAB CCc1cc(=O)n(CC(=O)NCCOC)c(-c2cccc(F)c2)n1 57508116 AOFLVFMODXMVDR-UHFFFAOYSA-N 333.363 1.374 0 40 EDAB CCCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 12688807 ABRGSYGABMCSST-UHFFFAOYSA-N 329.444 1.459 0 40 EDAB CCCCNC(=O)c1ccc(CNC(=O)[C@@H](C)S(C)(=O)=O)cc1 58162616 CHPHCPJQBJXMGZ-GFCCVEGCSA-N 340.445 1.266 0 40 EDAB CCN(CC)[C@H](C)CNC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 58291572 GSQGTMOOYXZXFZ-CHWSQXEVSA-N 344.452 1.834 0 40 EDAB Cn1cc(C(=O)C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cn1 58229236 GOSPFWOYUXQXDA-UHFFFAOYSA-N 346.818 1.601 0 40 EDAB CCCCn1nnnc1CN1CCC(c2ccnn2CCO)CC1 58298965 ALVITRWMZSMVMU-UHFFFAOYSA-N 333.440 1.042 0 40 EDAB CC1CCN(c2ccc(CNC(=O)[C@@H](C)n3cncn3)cn2)CC1 44954323 MRGOYXISPOFUKU-CQSZACIVSA-N 328.420 1.787 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cc(F)cc(F)c2)C1 57319570 LVHWKOZGYIAOMO-VXGBXAGGSA-N 340.370 1.968 0 40 EDAB O=C(O)[C@@H]1CCC(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc2c1OCO2 72275646 HCWUWGZJLYJJCK-GHJWDPDVSA-N 347.367 1.959 0 40 EDAB CCn1c(C)cc2c(c1=O)[C@@H](c1cccnc1)C(C(=O)OC)=C(N)O2 2444519 QYCZUBCDAXUUJR-CYBMUJFWSA-N 341.367 1.439 0 40 EDAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ncccn1 11331849 HHJOQQJJIAKSBO-JTQLQIEISA-N 338.323 1.502 0 40 EDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1 10385098 CLQOEUCDQUZPOW-NEPJUHHUSA-N 340.376 1.318 0 40 EDAB Cc1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)nc1 107323865 MGJYTSWWKVUQNJ-AWEZNQCLSA-N 338.367 1.859 0 40 EDAB Cc1ccc(C(=O)NCCNS(=O)(=O)Cc2ccccc2)s1 29449560 SATAFVBPCGXYPS-UHFFFAOYSA-N 338.454 1.906 0 40 EDAB COc1c(C)cnc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c1C 84258056 HTYIGTMZQZPQPF-ZDUSSCGKSA-N 343.431 1.909 0 40 EDAB O=S(=O)(c1ccccc1)c1nnn2c1nc(O)c1ccccc12 2687066 HGLGTSPJXJXHJL-UHFFFAOYSA-N 326.337 1.816 0 40 EDAB CC(=O)c1cc2c(cc1NC(=O)CSc1n[nH]c(N)n1)OCO2 12858208 UJUDMYPSTNWKLK-UHFFFAOYSA-N 335.345 1.049 0 40 EDAB COc1cc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc(OC)c1 3605953 RFIRDTVRGXMOIF-UHFFFAOYSA-N 347.371 1.507 0 40 EDAB COc1ccc(CNCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 48783233 WRCAGHMDGLKQOP-OKILXGFUSA-N 342.461 1.224 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)CC[C@@H]2CCCO2)c1 64535146 OPMAPISJBMCSGQ-HNNXBMFYSA-N 340.445 1.311 0 40 EDAB CNS(=O)(=O)Cc1cccc(CNC(=O)Nc2ccncc2)c1 64624512 IGYLBZIJPPGBRL-UHFFFAOYSA-N 334.401 1.453 0 40 EDAB C[C@H](NC(=O)COC(=O)c1nccnc1N)c1ccc(Cl)cc1 5040535 SRFGZMBOAFGSNW-VIFPVBQESA-N 334.763 1.746 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 408598407 ZWRRKFGYGAELNP-LBPRGKRZSA-N 343.449 1.777 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2cccc(C)n2)C(N)=O)cc1 65492971 NBDWALSAAMYXIL-OAHLLOKOSA-N 341.411 1.863 0 40 EDAB CCOc1ccc([C@H](C)NC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 65439992 TWXQZQLAIFBCAQ-QWHCGFSZSA-N 340.445 1.880 0 40 EDAB COc1ccc(C2(C(=O)NCCN(C)C3CC3)CCOCC2)cc1 65447240 MPRPFWQUTJHIOO-UHFFFAOYSA-N 332.444 1.954 0 40 EDAB Cc1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 65401475 SHQAVTXZSPSQKD-FZKQIMNGSA-N 344.367 1.795 0 40 EDAB COCc1cccc(N[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 65435143 ACTOVCJGVCJXMI-WFASDCNBSA-N 340.445 1.279 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H](C)Cn2cccn2)c(C)c1F 96008580 OPDHLSDOGWAQMM-NSHDSACASA-N 341.408 1.954 0 40 EDAB CC(=O)[C@@H]1CC(C(=O)N[C@H](C)Cn2ccnc2)=NN1c1ccccc1 65587727 AKXPKACUGQLMPH-DYVFJYSZSA-N 339.399 1.612 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)NCC(=O)Nc1cccc(F)c1 65585703 XCAWUPRSGSFYSQ-UHFFFAOYSA-N 343.424 1.863 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(N3CCCC3)nc2)C1 65562970 JIFQCKYSPUXKBJ-OAHLLOKOSA-N 331.420 1.814 0 40 EDAB CCC(C)(C)NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 14189094 QLPWFLLHZLQNJG-LLVKDONJSA-N 339.461 1.390 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCC1CCCCC1 14124924 JSTLMIKCSIVJDA-KRWDZBQOSA-N 329.444 1.595 0 40 EDAB O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2ccccc2)CC1 14171077 QZVMJRDHPZLUMU-UHFFFAOYSA-N 348.424 1.745 0 40 EDAB O=C(CNc1ccccc1I)N1CCNC1=O 9368276 LLFCEXNFEXKWAN-UHFFFAOYSA-N 345.140 1.255 0 40 EDAB CCS(=O)(=O)N(C)C1CCN(CCOc2ccccc2)CC1 66880239 RZSJHFLLPJWHIG-UHFFFAOYSA-N 326.462 1.811 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 6928269 BNVZLGICBZZLCC-BXUZGUMPSA-N 342.848 1.829 0 40 EDAB COc1ccc(-c2noc(CNC(=O)N3CCOCC3)n2)cc1OC 4943773 AKUYIGOOHVXLIK-UHFFFAOYSA-N 348.359 1.296 0 40 EDAB CCOC(=O)C1=C(CN2C[C@H](C)OC(C)(C)C2)NC(=O)N[C@H]1C 68477804 WRHXVHJLFOJCBT-QWRGUYRKSA-N 325.409 1.004 0 40 EDAB Cc1cc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)cc2sc(N)nc12 72127244 LQNWVBDEZJVZDY-INIZCTEOSA-N 346.412 1.854 0 40 EDAB Fc1ccc(-c2nnc(CN3CCN(c4ncccn4)CC3)o2)cc1 16483299 ABFJAQKDMWNEJB-UHFFFAOYSA-N 340.362 1.988 0 40 EDAB O=C(c1ccc(N2CCCC2)nn1)N1CCCC[C@H]1Cn1cccn1 71871981 DAAJRONWKWCSSX-HNNXBMFYSA-N 340.431 1.968 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](NC[C@@H](O)COCc1ccccc1)CC2 70037372 PGYFKFAOYBVTFO-IAGOWNOFSA-N 344.459 1.884 0 40 EDAB COCCNC(=O)c1ccc(N[C@@H]2c3ccccc3C[C@H]2O)nc1 91430521 FZUSKNVWJHFYHH-NVXWUHKLSA-N 327.384 1.528 0 40 EDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CN1CCCC1=O 8349752 PHOJMPROQMJLBO-CYBMUJFWSA-N 327.388 1.409 0 40 EDAB NC(=O)CN1CCCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 71829386 RNGBGNOZEDYFOG-UHFFFAOYSA-N 344.242 1.556 0 40 EDAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC(CC(N)=O)CC1 71839333 FWEUUQRNIILXTR-SNVBAGLBSA-N 326.343 1.846 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)CCCCN(C)C)CC2)n1 69621170 PTGWECDFXHHIEE-UHFFFAOYSA-N 335.452 1.174 0 40 EDAB O=C(CCCNc1ncccn1)N1CCCN(c2nccs2)CC1 71830814 BOYGHJRUVHTWQO-UHFFFAOYSA-N 346.460 1.864 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2)CC1 69737406 PCOARAIGGAZICE-ZDUSSCGKSA-N 340.445 1.303 0 40 EDAB CCN(CC)C(=O)CN1CCCN(C(=O)/C=C/c2cccnc2)CC1 71903970 XUAKATRTSJFDBV-CMDGGOBGSA-N 344.459 1.498 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)Cn2cc(C)cn2)CC1 69812658 ZAFJKQYRDKLXQC-UHFFFAOYSA-N 330.436 1.142 0 40 EDAB CCc1nnsc1C(=O)N1CCCN(Cc2nccn2C)CC1 69817535 SNBWHPQJXXFFDT-UHFFFAOYSA-N 334.449 1.182 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2cccc(C(N)=O)c2)c1 69948543 UEGHEGMKSANALG-MRXNPFEDSA-N 326.400 1.985 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc2[nH]ncc12 69921667 JGESZKSJXPTNLE-INIZCTEOSA-N 343.431 1.235 0 40 EDAB COCCc1noc(CN2CCN(c3nc(C)cs3)[C@@H](C)C2)n1 69950974 ZOHVLROFSOQQJD-LBPRGKRZSA-N 337.449 1.734 0 40 EDAB Cn1ncnc1CNC(=O)N1CCO[C@@H](CCc2ccccc2)C1 97110196 MULNFKJJPLNBJU-HNNXBMFYSA-N 329.404 1.358 0 40 EDAB Cn1c(=O)n(C)c2cc(NC(=O)Cc3ccccc3C(=O)O)ccc21 72401284 DAYKYKLZSZLBJS-UHFFFAOYSA-N 339.351 1.756 0 40 EDAB Cc1ccc(N2CCC[C@@H](NC[C@H](O)COCc3ccco3)C2)nn1 95373343 SMSWZFROWPEWNV-CVEARBPZSA-N 346.431 1.514 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@H](C(=O)O)C(C)C)no1 95427713 MCNKADOANXRYHI-SKDRFNHKSA-N 343.405 1.269 0 40 EDAB Cn1cc(N2CCC[C@H](Nc3ccc(Cl)c(C(N)=O)c3)C2=O)cn1 95404392 YVIXUHCYJOSGFZ-AWEZNQCLSA-N 347.806 1.780 0 40 EDAB NC[C@H](NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 95432127 BOXSCZQAFRTHEW-JTQLQIEISA-N 326.315 1.860 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)[C@H](O)c1ccc(F)c(F)c1 95433355 GKUDCDIONFDREU-CPFSXVBKSA-N 346.355 1.970 0 40 EDAB O=C1N[C@H](C(=O)NCCc2ccccc2Br)CS1 73175080 RQWMBEVBOHAOCX-JTQLQIEISA-N 329.219 1.933 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)NC[C@H](O)c1ccsc1 95939421 YAGHFHLVFDJZTI-ZDUSSCGKSA-N 343.474 1.618 0 40 EDAB CC1CCC(N(C[C@@H]2CCCO2)C(=O)N[C@@H]2CCN(C)C2=O)CC1 74376410 MGUZOCKGKUAROP-SSHXOBKSSA-N 337.464 1.986 0 40 EDAB CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 89310085 NZLVDPYKGGAMSQ-OAHLLOKOSA-N 341.415 1.271 0 40 EDAB CCn1ccnc1CN1CC[C@@H](N(C)Cc2noc(C3CC3)n2)C1 89309994 MDNKBHSWORXBDG-CQSZACIVSA-N 330.436 1.870 0 40 EDAB O=C(NCc1nc(-c2cccnc2)no1)c1cc2c([nH]c1=O)CCC2 89794114 QPOOPDJSOKLNPQ-UHFFFAOYSA-N 337.339 1.239 0 40 EDAB Cn1cnnc1CC1CCN(c2ccc(S(C)(=O)=O)cn2)CC1 1548488937 IBAZFFDIZYIHCE-UHFFFAOYSA-N 335.433 1.073 0 40 EDAB CN(c1ccc(OCC(=O)NCc2ccccn2)cc1)S(C)(=O)=O 22230468 CTXKNGRNJJRIJY-UHFFFAOYSA-N 349.412 1.173 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CS(=O)(=O)CC1CCCCC1 66206177 XCGKRTVEDUPCDQ-UHFFFAOYSA-N 327.450 1.374 0 40 EDAB CCOC(=O)COc1ccc([C@@H]2NC[C@@H](C(=O)O)S2)cc1OC 408978532 MRJBFSGIEUBUQY-GXTWGEPZSA-N 341.385 1.425 0 40 EDAB C[C@@H](CNC(=O)CN1CCSC1=O)N1CCc2ccccc2C1 25635981 ZPIKPQFCJYUZQW-ZDUSSCGKSA-N 333.457 1.718 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2c(C(=O)O)oc3ccccc23)C1 516777458 CGXVSHGQHVBVCD-SNVBAGLBSA-N 338.385 1.255 0 40 EDAB Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H]1CCc2cncn2C1 521394184 LRYFZUCDQSJJQN-CYBMUJFWSA-N 337.383 1.033 0 40 EDAB O=C(N1CCCC1)N1CC2(CC[C@H](CNc3ncccn3)CO2)C1 306132351 LGEOXJMJIJZHCD-CQSZACIVSA-N 331.420 1.585 0 40 EDAB COCCOc1ncccc1NS(=O)(=O)[C@@H]1CCCC[C@H]1O 78552081 XTHQZTPOCDZOFV-CHWSQXEVSA-N 330.406 1.152 0 40 EDAB C/C=C/C(=O)O[C@@H]1/C=C/[C@H](O)[C@H](OC(C)=O)CCC(=O)O[C@@H]1C 35458793 GXBAKQFLYWSOJH-QFAMLLMCSA-N 326.345 1.049 0 40 EDAB biogenic,in-vitro O=S(=O)(c1ccccc1)[C@H]1[C@H](c2cccc(F)c2)C1(CO)CO 218454216 UDLBLHILERCRLJ-HOTGVXAUSA-N 336.384 1.736 0 40 EDAB O=C1N[C@@]2(CCCN(C(=O)CCn3cccn3)C2)Oc2ccccc21 72347575 JSFDZMCFPGAERF-SFHVURJKSA-N 340.383 1.414 0 40 EDAB COCCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 78403020 QAUCXZCBJKYODV-LBPRGKRZSA-N 342.237 1.973 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3sc(C)nc3C)CC2)no1 78778077 GSARXLWEGSDCDJ-UHFFFAOYSA-N 335.433 1.663 0 40 EDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(F)c(F)c1 71980084 WYKNTQLGSRPJIA-CYBMUJFWSA-N 340.326 1.312 0 40 EDAB Cc1nn(-c2ccccn2)c(C)c1CNC[C@H]1CC(=O)N(C2CC2)C1 563270849 BUCIBQJUUBWZLH-OAHLLOKOSA-N 339.443 1.985 0 40 EDAB CCCc1nc(N2CCN(C(C)=O)CC2)c2c(n1)c(C)nn2CC 226688364 DZKDMKYKJUFBAI-UHFFFAOYSA-N 330.436 1.776 0 40 EDAB CC(C)[C@H](C)N(C)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 40519839 DGBMTEOUPRZIDW-NEPJUHHUSA-N 337.445 1.617 0 40 EDAB Cc1cc(CNC(=O)c2ccccc2F)nc(N2CCOCC2)n1 224225340 VLEJXTVKPJBXGF-UHFFFAOYSA-N 330.363 1.691 0 40 EDAB CN(C)C(=O)CNC(=O)C(C)(C)Oc1ccn(-c2ccccc2)n1 227159932 CGEDYTBFZQTPOF-UHFFFAOYSA-N 330.388 1.234 0 40 EDAB CCNC(=O)CN1CCN(C(=O)Nc2ccccc2OCC)CC1 40526314 XCAWRLXIUGODPU-UHFFFAOYSA-N 334.420 1.371 0 40 EDAB O=C(Cn1nc(-c2ccco2)ccc1=O)N[C@@H](CO)c1ccccc1 575443018 MOIAJMDQVTUYOL-HNNXBMFYSA-N 339.351 1.353 0 40 EDAB COc1ccc(S(=O)(=O)NC(C)(C)C)cc1N1C(=O)CCC1=O 225845322 YBKWSBVBLUMTEL-UHFFFAOYSA-N 340.401 1.425 0 40 EDAB C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccn(C)c(=O)c1 421633936 ORXBZRTUPNOBFG-OCCSQVGLSA-N 334.416 1.968 0 40 EDAB O=C(NS(=O)(=O)c1ncccc1F)c1cccc(-c2ncn[nH]2)c1 225471187 LHIXXUCZLZUIMF-UHFFFAOYSA-N 347.331 1.125 0 40 EDAB O=S(=O)(NCCOCc1ccccc1)c1ccc2c(c1)OCCO2 223977091 VCZPLVZGESVEMR-UHFFFAOYSA-N 349.408 1.953 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](CO)Cc2cnn(C)c2)c1 585088030 HMTYTCCHBPERLQ-CZUORRHYSA-N 345.399 1.110 0 40 EDAB O=C(c1cccnc1)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 96109078 OXGKGJIFZKDCKH-KDOFPFPSSA-N 343.358 1.783 0 40 EDAB Cc1cc(C(=O)N2CCC[C@]3(C[C@H](Oc4ncccn4)CO3)C2)[nH]n1 96222616 XEFIPDCJXRFMAN-GUYCJALGSA-N 343.387 1.351 0 40 EDAB Cc1ccc(C(=O)N2Cc3nccn3C[C@H](Cn3cccn3)C2)o1 96188566 ONISWNHTOCXMIX-AWEZNQCLSA-N 325.372 1.953 0 40 EDAB COc1ccc2nnc(CCCC(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)n2n1 95472801 WPMVWUMURKBMIQ-HZSPNIEDSA-N 341.415 1.784 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1ccc(Cn3cccn3)o1)CC2 97198228 LXVADQOANIXDJW-LBPRGKRZSA-N 326.360 1.169 0 40 EDAB CN1C[C@@H](C(=O)N2CC[C@H](OCCCc3ccccc3)C2)CC1=O 96456449 ZVDLEUKMQDGEFC-IRXDYDNUSA-N 330.428 1.715 0 40 EDAB CSc1ccc(C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)cn1 583615617 QQZRBUIJPUIRHJ-JTQLQIEISA-N 345.428 1.091 0 40 EDAB O=C(c1cnccn1)N1CC[C@@H]2CN(Cc3nccs3)C[C@@H]2C1 96054154 NRMLZJILIYXDIL-CHWSQXEVSA-N 329.429 1.527 0 40 EDAB CCn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(C)cc2)cn1 96181431 NCFCKNFHLXEZQX-SJORKVTESA-N 342.399 1.748 0 40 EDAB O=C(Cc1ccco1)N1CC[C@]2(CCC[C@H](CN3CCOCC3)O2)C1 96209932 HTLJKGIAQBREEZ-IEBWSBKVSA-N 348.443 1.695 0 40 EDAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccsc1 96062101 YAEZHRZFZXLXOF-NSHDSACASA-N 328.401 1.801 0 40 EDAB CO[C@@H]1CCN(c2ncccn2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96207984 PQHJGVBMCAAKSE-GVDBMIGSSA-N 325.416 1.597 0 40 EDAB Cn1ccnc1N1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1 96436919 RUISHMMRSAPRHE-UHFFFAOYSA-N 336.399 1.568 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 96409319 QIIXDSCATQGQLU-CQSZACIVSA-N 344.390 1.627 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4ccncc4)C[C@@H]3C2=O)cs1 96245124 RADIXNCOOOCCNJ-HIFRSBDPSA-N 342.424 1.577 0 40 EDAB COc1ccccc1[C@H](C)NCC(=O)NC(=O)NCc1ccco1 95544251 LQAGGNYDGKFLDX-LBPRGKRZSA-N 331.372 1.965 0 40 EDAB CN1CC[C@]2(CN(C(=O)c3ccnnc3)C[C@H]2c2ccccc2)C1=O 96201855 KYGGFOKPNPYYFV-QFBILLFUSA-N 336.395 1.565 0 40 EDAB CN1CCC2(CC1)C[C@@H](COCC1CC1)N(S(=O)(=O)C1CC1)C2 96219612 IOXDKLAPUAVURY-HNNXBMFYSA-N 342.505 1.692 0 40 EDAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccccn3)CC[C@@H]12)N1CCCO1 96206991 BOWPRQOEBAHIBS-OIISXLGYSA-N 331.416 1.473 0 40 EDAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccsc3)CC[C@@H]21 96185645 SPHBTPVNXRNXNS-IKGGRYGDSA-N 345.472 1.851 0 40 EDAB O=C(COc1ccc(-n2cccn2)nn1)NCc1ccc(F)cc1 85471944 OKMGTRCWMGGSEI-UHFFFAOYSA-N 327.319 1.497 0 40 EDAB Cc1nc(NCCNC(=O)c2snnc2C)cc(-n2cccc2)n1 85472134 VGKAZFXWAXEVJQ-UHFFFAOYSA-N 343.416 1.578 0 40 EDAB NC(=O)N1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 585115233 RWIGQJMHXRLUOS-LBPRGKRZSA-N 337.445 1.244 0 40 EDAB Cc1occc1C(=O)N1NC(=O)C[C@@]12CCN(C(=O)OC(C)(C)C)C2 585126721 GSRKDENIPJCADY-QGZVFWFLSA-N 349.387 1.845 0 40 EDAB CCCCCOCC(=O)N[C@H](C(=O)OCC)[C@@H](O)c1ccncc1 585128414 AOGQZCAQRWWBSH-HOTGVXAUSA-N 338.404 1.370 0 40 EDAB CCn1cncc(NS(=O)(=O)c2ccc(OC(C)C)cc2)c1=O 585140438 DMOVVARIDRFHFM-UHFFFAOYSA-N 337.401 1.851 0 40 EDAB CON1CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 585130305 MRPJMILYTDZKDZ-MRXNPFEDSA-N 332.448 1.436 0 40 EDAB CC(C)c1cc(C(=O)N2CCSCC2)nc(N2CCOCC2)n1 96100996 PWYVZXIPUOTXOV-UHFFFAOYSA-N 336.461 1.626 0 40 EDAB C[C@H](CNC(=O)C[C@H](O)c1ccc(Cl)cc1)N1CCOC[C@H]1C 245339260 RNYDJRXDSJIJGK-IOASZLSFSA-N 340.851 1.989 0 40 EDAB Cn1cc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)cn1 257209960 BSNWKLQRIPNRDA-NVXWUHKLSA-N 333.363 1.604 0 40 EDAB COCC(=O)N1CC[C@H](Cc2nccnc2-c2c(C)nn(C)c2C)C1 257342812 ZQGFBJGIHUEQMC-CQSZACIVSA-N 343.431 1.531 0 40 EDAB CC(=O)N1CCC[C@@H]1c1nc(C)ncc1CNC(=O)c1ccno1 257244861 INCABUVIYYJRNN-CYBMUJFWSA-N 329.360 1.386 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)C3CCOCC3)CCO2)n1 257338091 YVTQNGWDUBSKAD-KRWDZBQOSA-N 333.432 1.783 0 40 EDAB CO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2nc(C(C)C)no2)[C@H]1O 257237027 HEWLBQBYZOUAKL-LALPHHSUSA-N 325.409 1.512 0 40 EDAB CC(C)c1ncc(C(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)cn1 257281459 OPHCKSBLKMWTEV-SFHVURJKSA-N 341.415 1.366 0 40 EDAB C[C@]12CCN(C(=O)CCC(N)=O)[C@H]1CCC(=O)N2Cc1ccccc1 257291853 QIWRPDUQONFAOF-KXBFYZLASA-N 343.427 1.434 0 40 EDAB COCC(=O)N[C@@H]1CN(Cc2c(OC)ccc3ccccc23)C[C@H]1O 257335062 YINLFOYRCUSHMM-IAGOWNOFSA-N 344.411 1.156 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2[C@@H](C)C(=O)Nc2ncccn2)n1 69569652 FJILUOLOCINMEA-FZMZJTMJSA-N 329.408 1.177 0 40 EDAB Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN2Cc2ncc[nH]2)n1 257303949 SJLFBEBYGOOLCF-QGZVFWFLSA-N 328.420 1.721 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2sc(C)nc2C)CCO1 257315367 VBAGESCFQCFEJZ-NSHDSACASA-N 333.417 1.805 0 40 EDAB O=S(=O)(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1cccnc1 253394371 VRKXTBIPTQDVCI-JOCQHMNTSA-N 334.401 1.540 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)c3cncnc3C)CC[C@H]21 257343680 ZTZHRGSKEQDFMK-GOEBONIOSA-N 346.431 1.275 0 40 EDAB C[C@H](c1ccccc1)N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1 26280138 SVGZXSJRJTWJGN-CYBMUJFWSA-N 339.461 1.813 0 40 EDAB COc1ccc(NC(=O)[C@@]23C[C@H]2CN(C)S3(=O)=O)cc1Cl 260838614 TZDWDLBVWRAMBK-ISVAXAHUSA-N 330.793 1.321 0 40 EDAB Cc1csc(N2CCN(C(=O)c3c(N)nn4ccccc34)CC2)n1 1615549907 ONFFECVYDLNKGW-UHFFFAOYSA-N 342.428 1.644 0 40 EDAB CCc1nn(C)cc1CNC(=O)[C@@]1(N)CCc2c(OC)cccc21 1615616579 VIALXLNRPYRNCF-GOSISDBHSA-N 328.416 1.408 0 40 EDAB O=C(CCNC(=O)C1CCC1)NCCc1cnc2c(Cl)cnn2c1 1615626180 VWUFVWGHGACJIB-UHFFFAOYSA-N 349.822 1.348 0 40 EDAB CCOc1ccccc1Cn1nnnc1N1CCC(CO)(OC)CC1 1616034022 UTFGJHIIXOQNHS-UHFFFAOYSA-N 347.419 1.098 0 40 EDAB Cc1noc(C)c1CNC(=O)c1cn(C[C@@H](O)c2cccs2)nn1 390829422 YODJYHKGWRPMAT-CYBMUJFWSA-N 347.400 1.608 0 40 EDAB Cc1ccc(CN2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)cc1 585112462 RAUZMXHAUHVWBJ-KRWDZBQOSA-N 348.472 1.688 0 40 EDAB CCCCC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCOCC2)C1 585095348 PQEHAPIPPJYLML-OAHLLOKOSA-N 334.420 1.206 0 40 EDAB CCc1nc(S(=O)(=O)N[C@@H](C)c2nccc(C)n2)cn1CC1CC1 585114196 SJGGTANFNFZKAY-LBPRGKRZSA-N 349.460 1.993 0 40 EDAB Cn1nccc1CN1CCOC[C@@H](Cc2nccn3cccc23)C1 585182511 WVMPYRDNTUWICY-HNNXBMFYSA-N 325.416 1.759 0 40 EDAB O=C(NC1CCC1)C1=NO[C@@H]2CN(C(=O)Cc3ccccc3)C[C@H]12 585109058 QTQZQYSXWCBRLO-LSDHHAIUSA-N 327.384 1.111 0 40 EDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1ccc2ccccc2n1 585277048 FKMSTHVUBIHVIQ-LJQANCHMSA-N 341.411 1.992 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)Cc2cccc3cccnc23)[C@@H]1O 585286981 QADIXFZBUOZQPK-RKVPGOIHSA-N 330.384 1.010 0 40 EDAB O=C(CCc1ccccc1)N1CCC(NC(=O)C2(O)CCC2)CC1 681239510 FQZWUIPAAZILEI-UHFFFAOYSA-N 330.428 1.641 0 40 EDAB CCc1noc([C@H](C)N2CCN(CC(=O)NCc3ccco3)CC2)n1 69421230 XPRCLAQQJQCZHV-ZDUSSCGKSA-N 347.419 1.220 0 40 EDAB CCCNC(=O)CN1CCN(c2ncccc2Br)CC1 70019076 JXATWTXCSONTQK-UHFFFAOYSA-N 341.253 1.492 0 40 EDAB Cc1c(C(=O)N2CCN3CCCC[C@H]3C2)sc2ncn(C)c(=O)c12 71839959 XANSZRVZQQEACJ-LBPRGKRZSA-N 346.456 1.614 0 40 EDAB C[C@H](C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)n1ccnc1 47918741 WPZJCEADPDCFKW-CYBMUJFWSA-N 330.363 1.568 0 40 EDAB O=C1CC[C@@H](c2nc(CNC3CCC3)no2)N1Cc1ccncc1 1775964044 PDKYMSNGHKLXKA-AWEZNQCLSA-N 327.388 1.970 0 40 EDAB biogenic,in-vitro CC(C)CCS(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 76200114 LOGNVLKKRCGEGI-UHFFFAOYSA-N 333.475 1.898 0 40 EDAB O=C(NCC[C@H](O)C1CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 77108563 YSUFPEVITCSUEC-HNNXBMFYSA-N 345.399 1.029 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2nc(C3CC3)no2)C1 84281304 VRASPHJGTJZUJH-CYBMUJFWSA-N 346.391 1.261 0 40 EDAB CNC(=O)CN1CCC(NCc2cccc3c2OC(C)(C)C3)CC1 78005784 TWVCMXOFSAIXMF-UHFFFAOYSA-N 331.460 1.700 0 40 EDAB CCN(Cc1ccoc1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 79359992 CYXGWRSLBDDUNJ-DOTOQJQBSA-N 344.415 1.971 0 40 EDAB Cc1c(CN(C)C(=O)c2cc(N3CCOCC3)ccn2)cnn1C 547741927 KIGNZBKYLNKNSK-UHFFFAOYSA-N 329.404 1.232 0 40 EDAB COc1ccc([C@H](O)[C@H]2OC(=O)c3c2cccc(=O)c3O)cc1OC 5640354 ZITKCDKHIPHJKU-RDJZCZTQSA-N 344.319 1.715 0 40 EDAB O=C(O[C@H]1CCOC1=O)C1CCN(c2nc3ccccc3o2)CC1 14147253 FMADXZHFSPHCFV-AWEZNQCLSA-N 330.340 1.903 0 40 EDAB CNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 16189279 JCHQAALSIULOIN-UHFFFAOYSA-N 332.425 1.666 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@H](c2nc(-c3ccccc3)no2)C1 19374348 ZRGQEMKJXFQJOR-CQSZACIVSA-N 337.339 1.740 0 40 EDAB CC[C@@H](CN1CCOCC1)NC(=O)Cc1cc(C(C)=O)ccc1OC 19500377 JQBWHJLYKPWIAL-KRWDZBQOSA-N 348.443 1.667 0 40 EDAB CN(C)c1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cnn1 206724531 WDIBCUQRERNXPU-UHFFFAOYSA-N 347.444 1.054 0 40 EDAB O=S(=O)(c1cscn1)N1CCC[C@@H](c2nnc3ccccn23)C1 521396208 LLUPSOJBZUGAMA-LLVKDONJSA-N 349.441 1.754 0 40 EDAB O=C([C@H]1CCOC1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390832154 XRDZDXCCXNCXDE-WFASDCNBSA-N 341.404 1.550 0 40 EDAB C[C@H]1C[C@H]1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 4806607 WDWDJKCPLGLIOC-WZDKYTMSSA-N 334.416 1.980 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(c2nccn3nc(C4CC4)cc23)CCO1 1889108047 NWIPXMCKTPWJEU-HNNXBMFYSA-N 327.388 1.091 0 40 EDAB O=C1CCc2cc(C(=O)NCCc3nnc4ccccn34)ccc2N1 22086777 AYMJBLLSTKCXKQ-UHFFFAOYSA-N 335.367 1.587 0 40 EDAB Cn1nccc1C(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037905638 UOKGXZHCCPMBLJ-GOSISDBHSA-N 347.390 1.995 0 40 EDAB Cn1cnc(C(=O)N2C[C@H]3CCN(Cc4ccnn4C)CC[C@H]3C2)c1 2056223508 PCRUTTPLQZZSLW-GASCZTMLSA-N 342.447 1.138 0 40 EDAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)COc1cc(F)ccc1F 1614936469 YTTBLELAPIUOMO-WOSRLPQWSA-N 327.327 1.748 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)N1CCCN([C@H]2CCOC2)CC1 1565523539 QDTVGMUOPLGJPS-AWEZNQCLSA-N 333.388 1.744 0 40 EDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccco1 10330924 XQFLTEWUQWPYHB-GFCCVEGCSA-N 345.355 1.366 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)N2CCCC2)C1 2055772235 LHYHWQDKGLQYTA-MGPQQGTHSA-N 345.403 1.110 0 40 EDAB CN(C)[C@@H](CNC(=O)C(=O)NCCc1ccccc1)c1cccs1 23106633 SRVAGUBNAWKUBH-HNNXBMFYSA-N 345.468 1.826 0 40 EDAB CCc1cc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)ncn1 2086884532 GNLZVFLFVKAYRV-ZDUSSCGKSA-N 340.374 1.502 0 40 EDAB Cn1nc(C(=O)NCc2cncc(-c3ccsc3)c2)ccc1=O 206946017 HIWHKGUSNQCOFH-UHFFFAOYSA-N 326.381 1.834 0 40 EDAB O=C(NCc1cn(-c2cccs2)nn1)c1ccc2c(c1)OCO2 575615692 GFGVYWNXWKPRLB-UHFFFAOYSA-N 328.353 1.988 0 40 EDAB O=C1NCCN1C(=O)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618254879 GFZKBVRNSNMHRG-LLVKDONJSA-N 327.344 1.228 0 40 EDAB Cn1nccc1CNC(=O)c1ccccc1I 30582934 DRRHJBCBIQGOCJ-UHFFFAOYSA-N 341.152 1.955 0 40 EDAB C[C@H]1CN(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)C[C@@H](C)O1 40496311 LYGCXESIQFSECU-PHIMTYICSA-N 334.388 1.751 0 40 EDAB COc1ccc(OCCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 40460713 MVTUXJHJLLJNCA-KRWDZBQOSA-N 334.416 1.397 0 40 EDAB COc1cc(OC)c2[nH]c(C(=O)NC[C@H](C)N3CCOCC3)cc2c1 40512410 POJGLGNMXMHXJY-LBPRGKRZSA-N 347.415 1.636 0 40 EDAB CC(C)CCNC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)o1 32777739 INRWTIYAXRALHX-JTQLQIEISA-N 347.462 1.226 0 40 EDAB COc1ccc(NC(=O)N2CCCN(CC(=O)N(C)C)CC2)cc1 32826252 JDPGPHAKMCRJJN-UHFFFAOYSA-N 334.420 1.323 0 40 EDAB CCOCCCNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 21900055 YBRFYVXTWWCDEG-UHFFFAOYSA-N 342.461 1.874 0 40 EDAB Cc1ncn(CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c1C 72610322 JYTDDNJPFMWDLJ-GFCCVEGCSA-N 332.379 1.633 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(Cc3nc4ccccc4o3)C2)C1=O 84597422 XYHXNRKVQSLLOW-KRWDZBQOSA-N 328.372 1.733 0 40 EDAB COc1ccc(C(C)=O)cc1CC(=O)NS(=O)(=O)CCC(C)C 72280769 FKQRBWJFRDKVNO-UHFFFAOYSA-N 341.429 1.932 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)NCc2cccnc2)c1 78600670 CJAAEVNIHWMDQN-UHFFFAOYSA-N 334.401 1.620 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 78966529 BFAUSACGBFMEPL-ZIAGYGMSSA-N 344.864 1.984 0 40 EDAB COc1cn(C)c(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1=O 79491955 ZHKUGFVMYJFTGU-UHFFFAOYSA-N 339.355 1.286 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)CN2CCOC3(CCCCC3)C2)C1 72717059 AMCVETPCBKURCX-INIZCTEOSA-N 337.464 1.149 0 40 EDAB CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](c2ccco2)N(C)C)C1 42476226 UWFAIOGCYZRTLJ-HUUCEWRRSA-N 335.448 1.893 0 40 EDAB CC1(C)S[C@H]2[C@H](NC(=O)c3ccccc3F)C(=O)N2[C@H]1C(=O)O 6393223 KMEXQIYEMOCEMV-NRUUGDAUSA-N 338.360 1.071 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2F)cc1 43070718 UHMABNZEMSWLGK-UHFFFAOYSA-N 337.372 1.924 0 40 EDAB C[C@H]1CN2CCCC[C@@H]2CN1C(=O)COc1cccc(C(N)=O)c1 95398126 PRRFBGINFLVDRU-DZGCQCFKSA-N 331.416 1.250 0 40 EDAB O=C(c1cn2ccccc2n1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 55233216 VYRQZMIQSSRLBQ-CQSZACIVSA-N 342.399 1.045 0 40 EDAB C[C@H](NC(=O)c1ccccc1-n1ccnn1)[C@@H](O)Cc1ccccc1 97107464 QIIIFWXLQXRVFB-KSSFIOAISA-N 336.395 1.989 0 40 EDAB O=C(NCc1nnc2n1CCCC2)[C@@H]1CCCN1Cc1ccccc1 57174861 IYNGPCQTBGBJKS-INIZCTEOSA-N 339.443 1.895 0 40 EDAB C[C@H](CNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)N1CCOCC1 57169600 QVPMCCJXPNUOID-IEBWSBKVSA-N 345.487 1.736 0 40 EDAB CCS(=O)(=O)N[C@H](CN(C)C1CCN(C)CC1)c1ccccc1 58283508 JKTASLMQEIWYAX-QGZVFWFLSA-N 339.505 1.693 0 40 EDAB CN(C)C(=O)COc1cc(C(=O)N(C)Cc2cccs2)nn1C 57355278 DRARNGPINGXVPO-UHFFFAOYSA-N 336.417 1.221 0 40 EDAB COc1ccccc1NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101419969 DDLBOUZGHOUUTE-BFPXCNAZSA-N 340.379 1.829 0 40 EDAB CCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 52411851 PWUXHHVWJHSJLQ-JTQLQIEISA-N 348.852 1.884 0 40 EDAB O=C(NCCCc1cccc(F)c1)NC[C@@H]1CN2CCC[C@H]2CO1 110583058 BTZYQEPSXOUBHI-DLBZAZTESA-N 335.423 1.921 0 40 EDAB CCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 2191125 HRIKMRNGFPVAKJ-CQSZACIVSA-N 326.418 1.883 0 40 EDAB CCOc1cccc2c1OCC(C(=O)NC[C@@H]1CN(C)CCO1)=C2 58300060 FOWNIOHORPCZGY-OAHLLOKOSA-N 332.400 1.308 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 58356813 JZCMSBHORCDIGF-OAHLLOKOSA-N 332.400 1.850 0 40 EDAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCC[C@H](NS(C)(=O)=O)C1 58356142 IJMXEIFVMZFKRT-UONOGXRCSA-N 344.408 1.053 0 40 EDAB O=C(NC1CC1)C(=O)N1CCN([C@@H]2CCCc3ccccc32)CC1 58377608 NRXOGROHHPPKBO-QGZVFWFLSA-N 327.428 1.487 0 40 EDAB CCOc1ncccc1CNS(=O)(=O)N1CCc2ccccc2C1 28041756 VUTVMFRDFCGPFM-UHFFFAOYSA-N 347.440 1.873 0 40 EDAB C[C@@H](CNC(=O)CCNc1ncccn1)N1CCc2ccccc2C1 58492990 SISNPEPHRIQIEH-HNNXBMFYSA-N 339.443 1.842 0 40 EDAB CCC[C@H](NS(=O)(=O)NCC)C(=O)N1CCc2sccc2C1 172454171 BZIVFCJGTUAOSH-LBPRGKRZSA-N 345.490 1.245 0 40 EDAB c1ccc(CN2CCO[C@@H]3CN(c4nccn5cnnc45)C[C@@H]32)cc1 95413927 SZIWZNLUEKZEPI-JKSUJKDBSA-N 336.399 1.214 0 40 EDAB Cn1nc2c(cc1=O)CN(Cc1nc(Cc3ccccc3)no1)CC2 72302383 PBHGIMWDAORUNB-UHFFFAOYSA-N 337.383 1.312 0 40 EDAB C=CC(=O)NCc1ccc(C(=O)N[C@H](C(N)=O)c2ccccc2)cc1 57196333 BKCJKLSCJDNBMF-KRWDZBQOSA-N 337.379 1.445 0 40 EDAB Cc1ncc(S(=O)(=O)NCc2cccc(Cn3ccnc3)c2)[nH]1 95443893 JGKWDMCRRMXLGJ-UHFFFAOYSA-N 331.401 1.441 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1 29191613 YGXGTNZRAIAAFW-CYBMUJFWSA-N 328.409 1.299 0 40 EDAB O=C(NCc1cccnc1-n1cccn1)N[C@@H]1CCN2CCCC[C@H]12 46095450 PRYKDCYBQBMDOR-HZPDHXFCSA-N 340.431 1.693 0 40 EDAB Cn1ccnc1C[C@@H]1CCCN(C(=O)NCCOc2cccnc2)C1 95424684 MQGHFUPMOIKBFX-HNNXBMFYSA-N 343.431 1.858 0 40 EDAB CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2CCN3CCCC[C@H]23)c1CC 95436862 XVTUCIRITJBNJS-JKSUJKDBSA-N 347.463 1.321 0 40 EDAB Cc1ccccc1Nc1nc(N)nc(CSc2nncn2C)n1 3425723 ZQHUWVMMZDMJBA-UHFFFAOYSA-N 328.405 1.927 0 40 EDAB CN(CC(=O)N1CCNC1=O)Cc1ccc(OC(F)(F)F)cc1 12986945 FNJHKCKVENOMGF-UHFFFAOYSA-N 331.294 1.569 0 40 EDAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCn2ccnc2C1 97201674 YNBNFJFDESDFEC-LBPRGKRZSA-N 328.372 1.132 0 40 EDAB Cc1c(C)c2ccc(O[C@H](C)C(=O)NCC(=O)O)c(C)c2oc1=O 4062035 MUZVWHSGEVFRKG-LLVKDONJSA-N 333.340 1.686 0 40 EDAB biogenic CNS(=O)(=O)Cc1cccc(CNC(=O)NCCC(C)C)c1 64655236 LDBHACPKCKSGGY-UHFFFAOYSA-N 327.450 1.581 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@H]12 5054703 QGYZDBKPWFYVGA-DGCLKSJQSA-N 344.327 1.023 0 40 EDAB O=C(Nc1nccs1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 5298788 CTAHEKPYCKZVRM-VIFPVBQESA-N 343.455 1.996 0 40 EDAB CC/C(NC[C@@H]1CCCO1)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 6419627 NCJCQBCGSLPJKQ-YCPJBFQXSA-N 349.431 1.830 0 40 EDAB CC(C)N1CCN(c2ccc(C(=O)NCC(C)(C)C(N)=O)cc2)CC1 65607830 PXZWAWWZWUBKJF-UHFFFAOYSA-N 346.475 1.458 0 40 EDAB O=C(COCC(=O)Nc1ccc(Cl)cc1)NC[C@H]1CCCO1 4682631 QOHJATLSQZADAH-CYBMUJFWSA-N 326.780 1.590 0 40 EDAB CC(C)C[C@H](C(=O)Nc1nnc[nH]1)N1C(=O)c2ccccc2C1=O 5685985 RSMYUWOZRVETFJ-GFCCVEGCSA-N 327.344 1.454 0 40 EDAB CCSc1ncc(Cl)c(C(=O)N[C@H]2CCS(=O)(=O)C2)n1 6810443 LYWFDQDTZBXRSL-ZETCQYMHSA-N 335.838 1.159 0 40 EDAB CN(Cc1ccnc(N(C)C)n1)C(=O)c1ccc(S(C)(=O)=O)cc1 95464845 KEIJXOUMAGWMIO-UHFFFAOYSA-N 348.428 1.218 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCNC(=O)CC3)C2)cc1 68258147 IERNANNSSMWASY-MRXNPFEDSA-N 343.427 1.196 0 40 EDAB CN(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1 96414049 WFJFQBRHIZDGQF-LLVKDONJSA-N 329.322 1.646 0 40 EDAB O=C(NCCS(=O)(=O)Nc1ccccn1)c1ccc2cc[nH]c2c1 71896593 WTPIAFOXTLRBEV-UHFFFAOYSA-N 344.396 1.735 0 40 EDAB COc1ccc(NC(=O)COc2nnc3ccccn23)cc1OC 8224885 YTDGMRRAIJIKFI-UHFFFAOYSA-N 328.328 1.764 0 40 EDAB Cc1ccccc1[C@@H](CC(=O)NCCNc1cnccn1)NC(N)=O 69328536 LUNKPPOVMDREFF-CQSZACIVSA-N 342.403 1.113 0 40 EDAB C[C@@H]1CN(Cc2nnc(C3CC3)o2)CCN1c1ccc2nncn2n1 69454429 CYHFSCXTCWTTEH-LLVKDONJSA-N 340.391 1.095 0 40 EDAB CCc1cccc(NC(=O)N2CCC(NS(C)(=O)=O)CC2)c1 69484058 KOQAQSIQWBUYMW-UHFFFAOYSA-N 325.434 1.795 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)/C=C/c2ccsc2)CC1 69444365 NDDIXBATZJMFAV-BWPKMQGJSA-N 333.457 1.702 0 40 EDAB Cc1nc(CN2CCCN(C(=O)c3nccnc3N)CC2)cs1 71871702 UZVQCRHEKAHILU-UHFFFAOYSA-N 332.433 1.172 0 40 EDAB CC(C)OCCC(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 69515599 PFGLTSIQZZFKLQ-UHFFFAOYSA-N 337.424 1.434 0 40 EDAB Cc1cc(NC(=O)CN(C)[C@H]2CCCN(Cc3noc(C)n3)C2)no1 71870484 UEUYMOUPRBRUEC-ZDUSSCGKSA-N 348.407 1.209 0 40 EDAB CCn1c(C2CCN(S(=O)(=O)N(C)C(C)C)CC2)n[nH]c1=S 69699987 CIRVTMXMAORVRR-UHFFFAOYSA-N 347.510 1.725 0 40 EDAB O=C(CN(Cc1ccco1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 69632426 XYEKWELGNUDIRB-AWEZNQCLSA-N 348.424 1.590 0 40 EDAB Cc1cc(CN2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)no1 71820814 WZTXQDLTAHXJAE-UHFFFAOYSA-N 343.383 1.599 0 40 EDAB CC(C)c1nccn1[C@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 69877837 IRDHVTSPERYJQC-CVEARBPZSA-N 334.464 1.891 0 40 EDAB O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(=O)[nH]n1 69812046 MESJHHKZZKUXFE-UHFFFAOYSA-N 346.240 1.696 0 40 EDAB CC(=O)N1CCC(CN2CCN(C[C@@H](O)C(C)(C)C)CC2)CC1 69870856 MXYOWGQLFSISOB-QGZVFWFLSA-N 325.497 1.270 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)O)C2)cc1Cl 92182061 GKCSYMXKCVTLRF-RKDXNWHRSA-N 331.777 1.656 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCCC(=O)N1CCc3sccc3C1)CC2 69952036 DEIAUSMXQJXVBH-AWEZNQCLSA-N 345.472 1.527 0 40 EDAB Cc1ccc(N2CCC[C@H](N(C)c3ncnc4c3cnn4C)C2)nn1 69949831 LDMMNZXDAHGGTM-ZDUSSCGKSA-N 338.419 1.567 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@H]3CCCc4c[nH]nc43)CC2)c1 83984322 TUDBWDOVMAIUAN-HNNXBMFYSA-N 341.415 1.582 0 40 EDAB COC(=O)c1cc(CN2CCc3nn(C)c(=O)cc3C2)c(C)s1 84028524 OPYXHIXQGBRMLO-UHFFFAOYSA-N 333.413 1.495 0 40 EDAB Cc1noc(Cl)c1CCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269004 RLYRJWAPGWSZJQ-KGLIPLIRSA-N 341.839 1.627 0 40 EDAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H](c2ccn[nH]2)C1 72282764 QOEHMELVAKNYEA-HUUCEWRRSA-N 340.431 1.822 0 40 EDAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)N2CCCC2)cc1 67198505 NZYCABVHRFSLAE-UHFFFAOYSA-N 327.384 1.850 0 40 EDAB Cn1cnn(CC(=O)Nc2nc3c(ccc4ccccc43)s2)c1=O 95996187 PSWVUNPXBMLASC-UHFFFAOYSA-N 339.380 1.983 0 40 EDAB Cn1c(O)nc(NC[C@@H](c2ccccc2F)N2CCOCC2)cc1=O 1548453988 GZAXPJYWWGQPFY-AWEZNQCLSA-N 348.378 1.110 0 40 EDAB COc1ncccc1CNC(=O)c1c[nH]c(=O)c(Br)c1 89420733 PWCVBSZUGRZAQO-UHFFFAOYSA-N 338.161 1.471 0 40 EDAB CCCn1nc2c(cc1=O)CN([C@H](C)C(=O)Nc1nccs1)CC2 76064546 FIQZVIAIVAKZIW-LLVKDONJSA-N 347.444 1.495 0 40 EDAB COCCC(=O)N1CC2(C[C@H](CCOc3ccccn3)CCO2)C1 306126186 DPAIXPVPNPDRQA-OAHLLOKOSA-N 334.416 1.895 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCc2ccnc(N3CCCC3)c2)C1 42636267 IAZOFKPNHCAHRN-AWEZNQCLSA-N 331.420 1.089 0 40 EDAB Cc1ccc(C2(C(=O)N(C)C[C@@H](C)c3nnn[nH]3)CCOCC2)cc1 187257569 SCYKQLIHLQYIMD-CQSZACIVSA-N 343.431 1.818 0 40 EDAB CC(C)c1nc(-c2ccc(NC(=O)CCn3cnnn3)cc2)n[nH]1 524735485 FKCNJYKOTRHZIE-UHFFFAOYSA-N 326.364 1.610 0 40 EDAB COc1cc2c(cc1OC)[C@H](NC(=O)c1ccn3nnnc3c1)CC2 524733010 LEKICYJVRNTTKA-CYBMUJFWSA-N 339.355 1.559 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)CO 218203806 GISYQPJWARCQMP-JHJVBQTASA-N 348.262 1.287 0 40 EDAB CCn1c(=O)n(CC(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c2ccccc21 78895687 FOVYDPJZMUJNIZ-CJNGLKHVSA-N 330.432 1.231 0 40 EDAB CC1CCN(C(=O)Cn2nc(SCc3ccccn3)nc2N)CC1 35315532 PYEPAYTZDZIMDE-UHFFFAOYSA-N 346.460 1.806 0 40 EDAB COCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3ncccn3)n2)C1 72360028 ZUCWHRGOEOSGAA-ZDUSSCGKSA-N 342.403 1.671 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1 70639755 PVHBLRLESIIRRV-GOSISDBHSA-N 330.359 1.466 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(C=O)cc1 9252703 OSLKXGKYNJUROC-KRWDZBQOSA-N 341.363 1.778 0 40 EDAB O=c1c2sccc2ncn1CCn1nnc(-c2ccsc2)n1 78951439 YLSPGIREOZXZLQ-UHFFFAOYSA-N 330.398 1.873 0 40 EDAB Cc1ncc(C(=O)N2CCC[C@@H]2c2[nH]ncc2C(=O)N(C)C)cn1 72369264 JSANBEUZFJJTLL-CYBMUJFWSA-N 328.376 1.187 0 40 EDAB CC(C)[C@H](N)C(=O)N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79393244 UGTVQOVFSHGLIE-CVEARBPZSA-N 333.432 1.887 0 40 EDAB Cc1nc([C@H]2CCCN2CC(=O)Nc2nccs2)ncc1C(N)=O 72345432 CGGZUSSYURGCJA-LLVKDONJSA-N 346.416 1.116 0 40 EDAB NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 40399433 CDJYEVUEWAKZAJ-QMMMGPOBSA-N 333.735 1.078 0 40 EDAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CC[C@@H](N2CCCC2)C1 81081796 AFGAUHMIWLFVEI-CVEARBPZSA-N 333.436 1.764 0 40 EDAB O=C(NCCC1=CN=C(O)N[C@@H]1O)NC12CC3CC(CC(C3)C1)C2 225222603 DDASQCZCNUDXTB-HSVOFOGUSA-N 334.420 1.364 0 40 EDAB CCn1ncc(CNC(=O)N[C@@H]2CCC[C@@H](N3CCCC3=O)C2)n1 528043557 PONGJUWIFLJFBU-TZMCWYRMSA-N 334.424 1.031 0 40 EDAB Cc1cccc(OCc2cn(CC(=O)Nc3cnn(C)c3)nn2)c1 227161252 SNIXDHTZRHVSSE-UHFFFAOYSA-N 326.360 1.538 0 40 EDAB O=C(Cc1ccccc1F)NCCN1Cc2ccccc2OCC1=O 225770264 HUHDRGDJUASPBL-UHFFFAOYSA-N 342.370 1.906 0 40 EDAB CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccccc3)C2)C1 96228841 CYZIAULZBSVDCZ-FQEVSTJZSA-N 345.487 1.803 0 40 EDAB Cc1cccc(CO[C@H]2COC3(CCN(S(C)(=O)=O)CC3)C2)n1 96106810 PYSMHDVMFGOROC-OAHLLOKOSA-N 340.445 1.490 0 40 EDAB COCCN1CCN(C(=O)c2cscn2)Cc2ccc(C)nc21 96199030 TVBDTBPTXJEAMB-UHFFFAOYSA-N 332.429 1.955 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNS(=O)(=O)[C@@H]3CCOC3)cc2)n1 96411379 DSNBKLSAJRADHH-QGZVFWFLSA-N 349.456 1.740 0 40 EDAB O=S(=O)(C1CC1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1 96189128 NDMOOVJNZDIJSS-ZDUSSCGKSA-N 325.434 1.234 0 40 EDAB CN1CCCC[C@H]1CN1CCN(C[C@H](O)COC(C)(C)C)CC1 96407747 ZZJUPGCPVMTALJ-IRXDYDNUSA-N 327.513 1.264 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)c2ncncc2Cl)C1 583619633 PIIJICNHXCTXHM-KOLCDFICSA-N 348.794 1.728 0 40 EDAB CCn1cnnc1CNS(=O)(=O)C[C@](C)(OC)c1ccccc1 583651333 JYQZCDZMBRXDPV-HNNXBMFYSA-N 338.433 1.279 0 40 EDAB COC[C@@H]1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC(C)(C)O1 583615021 AVLBGEVNMWPEDL-AWEZNQCLSA-N 348.378 1.672 0 40 EDAB Cn1cnc2c1[C@H](COCC1CCOCC1)CN(c1ncccn1)C2 96044986 AXMQIIUMBZGBGM-HNNXBMFYSA-N 343.431 1.757 0 40 EDAB Cn1cc([C@@H]2CC(=O)NC23CCN(C(=O)c2ccco2)CC3)cn1 96061496 OUBRJNXAALWNFE-ZDUSSCGKSA-N 328.372 1.292 0 40 EDAB O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCC[C@@H]1c1cccnc1 332826512 WUJNDRLQBXYTIT-DZGCQCFKSA-N 337.445 1.753 0 40 EDAB Cc1ccc2oc(C(=O)N3Cc4nnc(C)n4C[C@@H]3C(=O)O)cc2n1 579958529 IMNBOJSKOKZVOW-LLVKDONJSA-N 341.327 1.145 0 40 EDAB C[C@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1CC1CC1 96109817 DCTWPBOQBRCUAU-AWEZNQCLSA-N 332.448 1.809 0 40 EDAB Cc1ccc(C(=O)N2CCc3ncnc(N4CCOCC4)c3CC2)o1 96255728 YZEPGOJJLZDTET-UHFFFAOYSA-N 342.399 1.456 0 40 EDAB CC(=O)Nc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](C(=O)O)C2)cc1 581367961 CLNXXRCNZOSYLC-ABAIWWIYSA-N 333.388 1.897 0 40 EDAB CN(C)[C@H]1CCC[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 97096633 BGEIZCRAYBUZFH-AEFFLSMTSA-N 345.491 1.782 0 40 EDAB CCC(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 585139335 GHLVTAMLLILRFQ-UHFFFAOYSA-N 344.459 1.478 0 40 EDAB C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCC(=O)N(C)CC1 585142038 NBUIHVMXDMLBIM-LLVKDONJSA-N 332.429 1.787 0 40 EDAB COc1cccc(CC(=O)N2CCc3ncnc(N(C)C)c3CC2)c1 96255427 HXRHFEVNDKTFDO-UHFFFAOYSA-N 340.427 1.721 0 40 EDAB CN(C)c1nc(-c2cnn(C)c2)nc2c1CN([C@H]1CCOC1)CC2 96254082 OAFDYTDMFLKCPR-ZDUSSCGKSA-N 328.420 1.090 0 40 EDAB CS(=O)(=O)N[C@@H]1COCCC12CCN(Cc1ccccc1)CC2 96217007 WZUAYDFEBVMRBU-MRXNPFEDSA-N 338.473 1.607 0 40 EDAB Cc1ccnc(OC[C@]23COC[C@H]2CN(C(=O)c2ccoc2)C3)n1 96109127 IGLVTCKWJGJRAD-PBHICJAKSA-N 329.356 1.546 0 40 EDAB CCn1cc(CN(C)C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cn1 96420836 BJPUVQUMTYKBJH-SFHVURJKSA-N 342.443 1.762 0 40 EDAB Cn1cccc1C(=O)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 96188369 CPCQWSBPSYEGKS-OAHLLOKOSA-N 327.432 1.590 0 40 EDAB O=C(NCC[C@H]1CN(c2ncccn2)Cc2ccnn21)c1ccco1 247496425 OIPYJKJWOKSHJU-ZDUSSCGKSA-N 338.371 1.648 0 40 EDAB Cc1ncc(C(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)c(C)n1 257213560 CIBQCBLLYIVNBG-ZIAGYGMSSA-N 340.374 1.010 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@H](c3nc(C)cn3C)C2)on1 257316669 VGNJRBCCLUYZKP-ZDUSSCGKSA-N 334.376 1.258 0 40 EDAB CN(C(=O)c1cccc2c1OCCO2)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257262871 LNHYKQOJLVTYRI-IIAWOOMASA-N 343.383 1.491 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCO1 257286049 PJZKTJMNNXPCPH-CYBMUJFWSA-N 328.328 1.001 0 40 EDAB C[C@H](NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)c1cnn(C)c1 266784877 KPCXVYIJAHFVDZ-ZFWWWQNUSA-N 343.435 1.582 0 40 EDAB CN(CCCO)S(=O)(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 1615586032 PDZBBFWNWQFTMQ-QWHCGFSZSA-N 348.262 1.949 0 40 EDAB Cn1nnc2c1C[C@H](C(=O)N[C@H]1COc3ccc(F)cc3C1)CC2 290638318 MRJQQIZSNQPXBZ-ZWNOBZJWSA-N 330.363 1.179 0 40 EDAB C[C@]1(O)CCCN(C(=O)NCCN2CCc3ccccc3C2=O)CC1 390833930 PBIWCWDJRNSYAB-IBGZPJMESA-N 345.443 1.631 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575404920 WAGJVCQWZZQHNJ-AWEZNQCLSA-N 342.486 1.896 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 585108812 NRLNEYQMSJEVOW-MULDDASSSA-N 344.411 1.249 0 40 EDAB CC(C)CC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585095679 BDIYCHCPJIUZRS-OAHLLOKOSA-N 334.420 1.757 0 40 EDAB Cc1ccccc1C[C@H]1CCN(C(=O)CN2CCCC2=O)C[C@H]1O 585278382 DCIWVYHZJBUPGE-IAGOWNOFSA-N 330.428 1.369 0 40 EDAB CC(C)(C)NC(=O)CNC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585287253 VWARSYSYFBPZPD-SRCQZFHVSA-N 338.423 1.848 0 40 EDAB CC[C@H](C(=O)N1CCN(c2ncc(F)cn2)C(=O)C1)c1ccccc1 1775985959 LAWWTTPOOZXVDY-HNNXBMFYSA-N 342.374 1.985 0 40 EDAB Cc1noc(CN2CCN(c3ccc(-c4ccccn4)nn3)CC2)n1 1776008638 LKDZHUPHUOCIGR-UHFFFAOYSA-N 337.387 1.552 0 40 EDAB O=C(NCc1cn2cc(Cl)ccc2n1)NC[C@@H](O)C(F)(F)F 48740627 YLMLCPBZLZHXTL-SECBINFHSA-N 336.701 1.710 0 40 EDAB CN(CC(N)=O)CC(=O)NCc1cccc(Oc2ccccc2)c1 52831996 FTYIJLPAWUZIID-UHFFFAOYSA-N 327.384 1.512 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCO[C@H]2CCC[C@@H]21 53381916 TWQYKAYEOWRJLY-QWRGUYRKSA-N 335.385 1.345 0 40 EDAB C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCCS(C)(=O)=O)C1 76069870 AFKSZUGQCUVEOZ-BXUZGUMPSA-N 328.409 1.963 0 40 EDAB Cc1cc(C(=O)NCCc2nnc3n2CCC3)c2c(C)nn(C)c2n1 79664194 BYSRTHFXFUTEJC-UHFFFAOYSA-N 339.403 1.095 0 40 EDAB CC(C)n1cc(Br)cc1C(=O)N[C@@H]1CCN(C(N)=O)C1 96431044 ITXPAXSIPGKOCS-SNVBAGLBSA-N 343.225 1.714 0 40 EDAB CCn1cc(Br)c(C(=O)N(C)CCn2cccn2)n1 1615612734 MHYWBPBXGXSROG-UHFFFAOYSA-N 326.198 1.634 0 40 EDAB O=C(O)[C@H]1CN(C(=O)CCN2CCCC2=O)C[C@@H]1c1ccc(F)cc1 12158479 AVVIIKMVQRBZLA-CABCVRRESA-N 348.374 1.465 0 40 EDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(OC)c(C)c1 19929562 QDEULUYPGYQOTB-UHFFFAOYSA-N 328.434 1.539 0 40 EDAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O 8371633 XIGAKYFRNQZIAK-LCYFTJDESA-N 334.397 1.794 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)Sc2nc(N)cc(=O)[nH]2)cc1 9669725 JQGZFJUDEOHNNG-VIFPVBQESA-N 334.401 1.158 0 40 EDAB Cc1nc(C(=O)N2CCC[C@@H](Oc3nccnc3N(C)C)C2)cs1 225502486 LPFPKFGIIZZDSW-GFCCVEGCSA-N 347.444 1.991 0 40 EDAB CO[C@H]1[C@H](CNC(=O)Cc2ccc3c(c2)CCCO3)COC[C@H]1OC 643585356 BRGFUHMMRFFIQU-SUMDDJOVSA-N 349.427 1.347 0 40 EDAB CO[C@H]1[C@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)COC[C@H]1OC 643585387 FISALCXCNCHEAH-LYRGGWFBSA-N 336.363 1.713 0 40 EDAB CC(C)Cn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 12232585 VJXUZLHLAPEYFS-GFCCVEGCSA-N 333.436 1.326 0 40 EDAB Cc1cc(C(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)n(C)n1 1888853252 FPWKGIRQORVOLA-ZDUSSCGKSA-N 341.415 1.937 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(OCc2ccccc2)CC1 12907396 LVOLIOBTZOOGCW-CQSZACIVSA-N 333.432 1.902 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 23458021 SIFZXIBKZOPJNR-UHFFFAOYSA-N 331.376 1.651 0 40 EDAB COc1ccc(C(=O)N2CCC(n3nccn3)CC2)c(OC)c1OC 238897801 REWFONQAVDGELK-UHFFFAOYSA-N 346.387 1.781 0 40 EDAB CC[C@@H](O)CN1CCN(Cc2ccc(Br)cn2)CC1 174094380 SGLLGKCZROMJFA-CQSZACIVSA-N 328.254 1.733 0 40 EDAB O=C(NCC1CC1)[C@H]1C[C@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]1O2 1565553732 CQLIPXBZKTWEFQ-HRCADAONSA-N 331.416 1.089 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 13792284 SHNZPCFFLOXWMK-LLVKDONJSA-N 343.474 1.775 0 40 EDAB O=C(Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O)NCc1ccco1 22723713 AOOXPZYVOVKCCS-UHFFFAOYSA-N 343.314 1.048 0 40 EDAB COCc1nsc(N2CCN(c3ccc4nc(C)cn4n3)CC2)n1 2086865141 OYJXDGQHOBQGAY-UHFFFAOYSA-N 345.432 1.362 0 40 EDAB Cn1cnc(S(=O)(=O)NCc2nccnc2-c2cccs2)c1 575621033 TZPQVYHNIPOUSU-UHFFFAOYSA-N 335.414 1.417 0 40 EDAB CC(C)n1nc(N2CCN(c3cc(C4CC4)ncn3)CC2)ccc1=O 2298029961 ZIXKONBWWUZQEH-UHFFFAOYSA-N 340.431 1.818 0 40 EDAB COc1ccc(C(=O)N(CC(=O)O)n2c(C)cc(C=O)c2C)cc1 34776601 FOETXFFROIRIGS-UHFFFAOYSA-N 330.340 1.789 0 40 EDAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(C3COC3)C[C@H]2C[C@@H]1O 2332242685 IATVFKSIYCZQFE-FTUNRGFVSA-N 327.428 1.987 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCCCC2)CCO1 50810313 NEMFULDJWLAMTQ-HNNXBMFYSA-N 334.391 1.740 0 40 EDAB O=C1C[C@@H](N(C(=O)Cc2cccc(C(F)(F)F)c2)C2CC2)C(=O)N1 100712334 QLVNKIUVXSUYPP-GFCCVEGCSA-N 340.301 1.654 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(S(N)(=O)=O)cc1 40512958 RRFWOIZPZZPBDR-VXGBXAGGSA-N 326.418 1.502 0 40 EDAB Cc1ccn(-c2ccc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2)n1 40529971 VJWGRYSGNPNYDG-OAHLLOKOSA-N 333.413 1.440 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2cc(-c3ccccc3)no2)CC1 40535455 RBDJRRGGEFVSFG-UHFFFAOYSA-N 328.372 1.021 0 40 EDAB Cc1ccccc1NC(=O)CN1C(=O)C(=O)N(CC(F)(F)F)C1=O 32777519 APKNSHWXGKJPDL-UHFFFAOYSA-N 343.261 1.287 0 40 EDAB Cc1nc2ccccc2c(C)c1C(=O)O[C@@H](C)C(=O)N1CCNC1=O 32777631 YOVSUKWNANWLSY-LBPRGKRZSA-N 341.367 1.949 0 40 EDAB CCS(=O)(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 41115587 XCKXGNWUZFHRAG-CQSZACIVSA-N 332.853 1.653 0 40 EDAB O=C(CN1CCCCCC1=O)NCc1ccccc1Cn1ccnc1 32882566 ZIPWXZIIQJHFAE-UHFFFAOYSA-N 340.427 1.950 0 40 EDAB COc1cc(C)c(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 32912514 LAIKUFJRNYJNDF-PWSUYJOCSA-N 325.386 1.162 0 40 EDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 415932 KEYOOCQQCOPQTB-UHFFFAOYSA-N 332.447 1.112 0 40 EDAB C[C@@H](NC(=O)COc1ccc(C2SCCCS2)cc1)C(N)=O 53330032 QMLYBCKKRAXHQA-SNVBAGLBSA-N 340.470 1.924 0 40 EDAB COCCCNC(=S)N1CCN(c2ccc(C(C)=O)cc2)CC1 2809079 DQPAFZRJDJGBBA-UHFFFAOYSA-N 335.473 1.922 0 40 EDAB COCCNC(=O)Cn1nc(C2CC2)c2c(C(=O)OC)cc(C)nc21 12396431 NZEHEONQJQVVJZ-UHFFFAOYSA-N 346.387 1.166 0 40 EDAB COC(=O)CNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 8944368 FVHGXBMIORYVJR-UHFFFAOYSA-N 330.315 1.981 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)cc1 77179532 HPPGGSUYPWBRPC-INIZCTEOSA-N 340.445 1.865 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)COc2ccc(Oc3ccccn3)cc2)C1 53893900 GNYSFLXMHILZQA-ZDUSSCGKSA-N 341.367 1.587 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C(=O)N3c4ccccc4[C@@H]4OCC[C@H]4[C@@H]3[C@]23C=C[C@H]1O3 104294202 ADBRMMHYTJFVFR-DZGFPKLDSA-N 339.347 1.517 0 40 EDAB biogenic CC(C)c1n[nH]c([C@H]2CN(C(=O)Cc3ccn(C(C)C)n3)CCO2)n1 78894302 HMKDSIOHRRASOK-CQSZACIVSA-N 346.435 1.848 0 40 EDAB CCOC(=O)C(=O)Nc1c(N(CC)CC)n2ccccc2nc1=O 1625356 SWWFTSDOYPNSMX-UHFFFAOYSA-N 332.360 1.042 0 40 EDAB Cc1cc(C)c(NC(=O)Cn2cnc3c(cnn3C)c2=O)c(C)c1 2694100 ZWTZPUDURVVNNZ-UHFFFAOYSA-N 325.372 1.694 0 40 EDAB Cc1ccsc1CN(C)CC(=O)N1CCN(c2cnccn2)CC1 42473897 OWYVTMOLAXTLFA-UHFFFAOYSA-N 345.472 1.627 0 40 EDAB C[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 104697307 PJGNTUACQIYPDK-ABHRYQDASA-N 341.411 1.631 0 40 EDAB COc1cc([C@H]2CC(=O)Nc3c2c(=O)nc(SC)n3C)ccc1O 4519909 FVIUYTWMYUCNHY-SECBINFHSA-N 347.396 1.691 0 40 EDAB O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)N1CCCC1 4711148 LAABNBFTRGSCFY-UHFFFAOYSA-N 349.406 1.113 0 40 EDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccnc(-n2cncn2)c1 54675596 SDKUJJZSSRVBIS-QGZVFWFLSA-N 348.410 1.667 0 40 EDAB CCOC(=O)[C@H]1CCCN(CCC(=O)NC(=O)NC2CCCC2)C1 24252618 VRHNOCHCSRHWDC-ZDUSSCGKSA-N 339.436 1.420 0 40 EDAB COc1cc(C(=O)OCC(=O)NCc2ccco2)cc2c1OCCO2 7939053 JKWZBTKRBPQORR-UHFFFAOYSA-N 347.323 1.533 0 40 EDAB NC(=O)Cc1ccc(NC(=O)c2cccnc2N2CCOCC2)cc1 24490340 ZIVGBXZJQYHNSK-UHFFFAOYSA-N 340.383 1.198 0 40 EDAB O=C1O[C@H](C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)Cc2ccccc21 43056076 DILRFHSJDDISIU-CVEARBPZSA-N 338.363 1.650 0 40 EDAB COc1ccc(OC)c2c1CN(CC(=O)N1CCCC[C@@H]1C)C[C@@H]2O 106031301 ICXRGWQGPQVFSG-ZFWWWQNUSA-N 348.443 1.954 0 40 EDAB CCOC(=O)C1=NN[C@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 1288642 LVCDHUJPSSJMOW-HNNXBMFYSA-N 335.747 1.255 0 40 EDAB OCCn1ncc2c(NCc3ccccc3Cn3cccn3)ncnc21 97200312 ZKMLSMUEFYMUPI-UHFFFAOYSA-N 349.398 1.676 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 107721707 AKGGRZPQLSUKCB-YESZJQIVSA-N 340.383 1.460 0 40 EDAB Cc1cccc(NC[C@@H]2CCN(CCN3C(=O)NC(C)(C)C3=O)C2)n1 97200935 BWESNIGRAAOEBH-AWEZNQCLSA-N 345.447 1.454 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)NC2CCCCCC2)cc1 8158154 GDYGHPIFGVUESV-UHFFFAOYSA-N 340.445 1.813 0 40 EDAB Cn1c2c(c(=O)n(C)c1=O)[C@H]1c3cc(Cl)ccc3OC[C@H]1CO2 1391786 KVZJLVOIDJMGOM-QPUJVOFHSA-N 334.759 1.270 0 40 EDAB Cc1ccc(N[C@H](C)C(=O)N2CCCC2)cc1S(=O)(=O)N(C)C 9739401 QUIMZMYBYMQDFO-CYBMUJFWSA-N 339.461 1.668 0 40 EDAB CCc1ncncc1C(=O)NCCN1CCN(c2ccccc2)CC1 56881602 OSHILXKRRZMIID-UHFFFAOYSA-N 339.443 1.591 0 40 EDAB NC(=O)c1cnc(NC[C@H](O)COc2ccc(F)cc2)c(Cl)c1 57149429 IRUZSDDIBSTUAD-NSHDSACASA-N 339.754 1.825 0 40 EDAB C[S@@](=O)c1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1 44227557 PETBAJNCCINHKQ-DEOSSOPVSA-N 346.456 1.714 0 40 EDAB O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 57553077 KHVMNDYWIIJYAU-NSHDSACASA-N 344.383 1.649 0 40 EDAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC[C@H]1CCCO1 3273416 OUHLAVAALYXEIY-SECBINFHSA-N 342.779 1.383 0 40 EDAB C[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)n1cncn1 44576765 CBXHNYHQLFIVHY-CJNGLKHVSA-N 347.394 1.168 0 40 EDAB Cc1cc(C)nc(NN[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)n1 104346393 VKGPMUWCIBXUBQ-CYBMUJFWSA-N 347.325 1.620 0 40 EDAB CC[C@H](Oc1ccccc1F)C(=O)NCCCN1CCN(C)CC1 177479189 SOSNDCPPPPWUKG-INIZCTEOSA-N 337.439 1.737 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](c2ccc(F)cc2)C1 36075292 UXPJHPPLWAKJMY-RISCZKNCSA-N 346.410 1.793 0 40 EDAB Cn1c(Cl)cnc1CN1CCC[C@@H](C(=O)N2CCOCC2)C1 44895186 RBPUUHSBYULVGM-GFCCVEGCSA-N 326.828 1.144 0 40 EDAB Cc1ccc(C)c([C@@H](C)NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 10230354 PRRDJWRHPAMQQE-CYBMUJFWSA-N 339.399 1.624 0 40 EDAB Cn1cc(S(=O)(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)cn1 58265403 GUIFJIQDPPNHPC-AWEZNQCLSA-N 348.428 1.003 0 40 EDAB O=C1[C@@H](NS(=O)(=O)Cc2ccccc2)CCN1Cc1ccccc1 58201471 MVVPUNNBJUWKHN-KRWDZBQOSA-N 344.436 1.907 0 40 EDAB COCC(=O)NC1CCN(Cc2nnc(-c3ccccc3)o2)CC1 44949030 YTARMJFUVUCJHH-UHFFFAOYSA-N 330.388 1.464 0 40 EDAB COc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2nncn2C)c(OC)c1 44969050 SYIOIQCCTOJYPA-MNOVXSKESA-N 333.392 1.954 0 40 EDAB COc1cc(C)c(S(=O)(=O)NC2CCN(C(C)=O)CC2)c(C)c1 44915156 JERPTTSATXMLBX-UHFFFAOYSA-N 340.445 1.601 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1F)N1CCN(C[C@@H]2CCCO2)CC1 22777093 HAKZMUVOZKDARQ-GJZGRUSLSA-N 335.423 1.949 0 40 EDAB COc1c(CNC[C@H]2CN(Cc3ccccc3)CCO2)c(C)nn1C 58341619 QPYOBYCIDDODIJ-KRWDZBQOSA-N 344.459 1.728 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 58325407 LYDVKASYNADVQW-QGZVFWFLSA-N 347.434 1.728 0 40 EDAB Cc1nc2ccccc2c(=O)n1CCC(=O)N[C@H](C)[C@@H]1CCCO1 27908346 KUOSZGKQZPDZHV-WBMJQRKESA-N 329.400 1.779 0 40 EDAB CC1CCN(CCCNC(=O)c2ccc(OCC(N)=O)cc2)CC1 28069373 QLOWEFCPAAZCGU-UHFFFAOYSA-N 333.432 1.403 0 40 EDAB COc1ccc([C@H](CNC(=O)C2=NN(C)C(=O)CC2)N(C)C)cc1 48236368 CMHPZTJSSURKPV-HNNXBMFYSA-N 332.404 1.022 0 40 EDAB C[C@H](CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)N1CCc2ccccc21 36397804 ZPQBNRXCBDIPRP-HIFRSBDPSA-N 327.428 1.565 0 40 EDAB COc1ccc2c(c1)c1ncn(CCN3CCCC3)c(=O)c1n2C 2332473 MJOQUPBJAFHXSW-UHFFFAOYSA-N 326.400 1.993 0 40 EDAB COCCNC(=S)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 45711347 DQKCFLGTBPTWEM-UHFFFAOYSA-N 347.440 1.834 0 40 EDAB O=C(CCCNc1ncccn1)NCCc1nnc2ccccn12 45875784 XCPSOBZMHMCNBZ-UHFFFAOYSA-N 325.376 1.070 0 40 EDAB COc1ccc(Br)c(C(=O)N[C@@H]2CCCCNC2=O)c1 37993152 ZLQACKRXBDBJIX-GFCCVEGCSA-N 341.205 1.856 0 40 EDAB CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]2COc3ccccc3C2)C1 48339967 XMAXOHCUFYSIRH-GJZGRUSLSA-N 332.400 1.975 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(COc2ccccc2)o1 11851776 AAZRJLFPCVVHDL-GFCCVEGCSA-N 335.381 1.776 0 40 EDAB CCOc1ncccc1CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 29957679 UWSRJYVXOZAQPO-OAHLLOKOSA-N 341.415 1.803 0 40 EDAB COCCOc1ccc(CNC(=O)N[C@@H]2CCN3CCCC[C@H]23)cn1 46818915 VSSRAETVCQWESN-HZPDHXFCSA-N 348.447 1.533 0 40 EDAB O=C(C1CCCC1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 12905314 PYOGGKDUNHRVAP-UHFFFAOYSA-N 340.427 1.758 0 40 EDAB O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1CCO 71279575 DMHDFFHTIZHAFB-UHFFFAOYSA-N 330.771 1.857 0 40 EDAB COc1ccnc(N2CCN(C[C@H](O)c3ccc(F)cc3)CC2)n1 64248381 IEPXXZYGGFNQLV-HNNXBMFYSA-N 332.379 1.480 0 40 EDAB C[C@@H](N(C)C(=O)NCCCn1nc2n(c1=O)CCCC2)C(C)(C)C 65437361 OWCMXWMCAGHRHN-CYBMUJFWSA-N 337.468 1.847 0 40 EDAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N(CCO)C1CC1 65464981 HKEGDOTXIMHIQP-UHFFFAOYSA-N 346.836 1.280 0 40 EDAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCCNc2ncccn2)C1 65622811 AUPNKTMIDRNTOD-CQSZACIVSA-N 348.451 1.082 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)N1CCN(CCC2OCCO2)CC1 97094927 MEFFULUHCVWCSD-UHFFFAOYSA-N 343.427 1.618 0 40 EDAB O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cnc2ccccn12 97086422 DONIXCLHKMZVBG-AWEZNQCLSA-N 335.367 1.655 0 40 EDAB CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 6586350 ITRYRAPEWKOCKO-UHFFFAOYSA-N 339.461 1.105 0 40 EDAB Nc1c(C(=O)NCc2ccccc2)nnn1Cc1cccc(F)c1 4934312 LSOCUVBZUNGQAZ-UHFFFAOYSA-N 325.347 1.978 0 40 EDAB CCOC(=O)C1=C(CN2c3ccccc3CC[C@H]2C)NC(=O)NC1 7360418 OOYMXVGFVPYISB-GFCCVEGCSA-N 329.400 1.958 0 40 EDAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@H](n2cncn2)C1 72234707 VWCQGZANWZMATQ-INIZCTEOSA-N 339.399 1.882 0 40 EDAB Cc1noc(CS(=O)(=O)Cc2ccn(-c3cccc(F)c3)n2)n1 68554416 LLHJUCWGTQYJTE-UHFFFAOYSA-N 336.348 1.818 0 40 EDAB CNC(=O)c1cccc(NC(=O)COc2ccc(C(=O)OC)cc2)c1 7897446 RWYRKGXVCWYNGD-UHFFFAOYSA-N 342.351 1.850 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN(Cc2cc(=O)c(O)co2)C1 96441631 UGPVTAZGTGKBSW-VIFPVBQESA-N 334.294 1.236 0 40 EDAB Cn1cc(-c2nc(Cn3c(-c4cccnc4)noc3=O)cs2)cn1 68919958 GGPIUNMIDFIQAS-UHFFFAOYSA-N 340.368 1.804 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 8314237 OWGRJFZOANOYSB-CYBMUJFWSA-N 346.431 1.571 0 40 EDAB CCn1ncc(S(=O)(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)c1C 17071185 XNQCMCNJXDCYEC-JTQLQIEISA-N 340.327 1.233 0 40 EDAB CCN(Cc1ccco1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 69432989 CAHOJATYZFRYGF-UHFFFAOYSA-N 337.401 1.659 0 40 EDAB CC(C)=CCN1CCC(NC(=O)CNC(=O)c2ccccc2)CC1 71886036 BDPRGRJKAHTTNL-UHFFFAOYSA-N 329.444 1.963 0 40 EDAB C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CCc2sccc2C1 69535552 NFMIWXOSJFXQQW-AAEUAGOBSA-N 331.445 1.217 0 40 EDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)n1 69561481 GWNIABDFKFMVNT-DLBZAZTESA-N 344.459 1.922 0 40 EDAB NC(=O)CN1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 71829373 BYNDZBNFUJXGRJ-UHFFFAOYSA-N 345.374 1.719 0 40 EDAB Cc1ccc2[nH]c(C)c(CC(=O)N3CCN(C[C@H](C)O)CC3)c2c1 71871195 VQVRZYQRDDGOSS-AWEZNQCLSA-N 329.444 1.852 0 40 EDAB O=C(CN[C@H]1CCCN(c2cccnn2)C1)NC(C1CC1)C1CC1 69902154 MNPYHSWBBGKMRJ-HNNXBMFYSA-N 329.448 1.340 0 40 EDAB CC1CCN(CCCNC(=O)NCC[S@@](=O)C(C)(C)C)CC1 69948915 SRVFNXVRKOBFTG-QFIPXVFZSA-N 331.526 1.955 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1 18232184 JODAWEPUFYTMLN-UHFFFAOYSA-N 343.408 1.939 0 40 EDAB Cn1cnc(CNC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 92378906 DJATXCLFQHMFHP-CYBMUJFWSA-N 343.387 1.633 0 40 EDAB O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cn[nH]n1 71907681 FQSZQLZMJAEAIE-LBPRGKRZSA-N 339.321 1.828 0 40 EDAB COc1ccc(CN2CCC(NS(C)(=O)=O)CC2)c(Cl)c1 83927835 VOMVMLFIWTYYFY-UHFFFAOYSA-N 332.853 1.862 0 40 EDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2C[C@@H]2c2ccco2)C1=O 95385594 XKGZYNYKGPTHLZ-VEVIJQCQSA-N 339.351 1.882 0 40 EDAB CC[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@@H]1N1CCOCC1 84735895 TZCUYVLIQNVIKP-AEFFLSMTSA-N 344.455 1.733 0 40 EDAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C(N)=O)c1ccc(F)cc1 84736222 FFLKEWUWNJPPPO-JLZZUVOBSA-N 347.434 1.979 0 40 EDAB Nc1ncc(Cl)cc1S(=O)(=O)N1CCC(n2cccn2)CC1 95433761 NQDMFXYRAOZAPW-UHFFFAOYSA-N 341.824 1.540 0 40 EDAB C[C@@H]1CN(C(=O)NCC[C@@H](C)[S@](C)=O)CCN1CC(F)(F)F 95447399 VYGNRWKCCRVOCF-XJUBTRFSSA-N 343.415 1.422 0 40 EDAB NC(=O)C1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)CC1 95447931 NAQMDWHJGCHOOZ-CQSZACIVSA-N 348.422 1.701 0 40 EDAB NC(=O)CCCNC(=O)Cc1cccc(I)c1 95414640 SSCONFOZTNEORA-UHFFFAOYSA-N 346.168 1.215 0 40 EDAB CCc1cc(NS(=O)(=O)c2ccccc2Cn2cncn2)n(C)n1 95466413 XKNGXSJEYKZYNP-UHFFFAOYSA-N 346.416 1.423 0 40 EDAB CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](CN2CCC(C)CC2)C1 95413774 CVEFKDUCHJFNMH-HZPDHXFCSA-N 338.496 1.794 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)NC[C@H](C)c1ccc(F)c(F)c1 95436962 CBRQJHRCNSITCT-IINYFYTJSA-N 325.359 1.988 0 40 EDAB Cn1cc(C[C@@H](CNCc2ccc(-n3cccn3)cc2)C(N)=O)cn1 95996695 CVUUCNWHQTYBIF-INIZCTEOSA-N 338.415 1.040 0 40 EDAB Cc1ccc(N2CCC(NC(=O)NC[C@H](O)c3ccco3)CC2)nc1 74435592 ISXVNPCGKYVFLL-HNNXBMFYSA-N 344.415 1.985 0 40 EDAB O=C(NC[C@H]1C[C@H]1c1ccccc1)NC[C@@H]1CN2CCC[C@@H]2CO1 89827977 ANOPYIUCZCYIJX-TVFCKZIOSA-N 329.444 1.953 0 40 EDAB Cc1cc([C@@](C)(O)CNC(=O)Nc2nnc3ccccn23)c(C)o1 76070387 UYYLDNPTGBCMFU-INIZCTEOSA-N 329.360 1.968 0 40 EDAB CN1C[C@H](C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)[nH]n3)C2)CC1=O 76059767 YIJJEHKNASZCON-NXEZZACHSA-N 344.337 1.613 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCC2)cc1C 408621386 LFHLLULFSJLQMZ-CYBMUJFWSA-N 340.445 1.683 0 40 EDAB O=S(=O)(NC[C@@H](c1ccco1)N1CCOCC1)c1cccs1 20614829 YEVQWKQCQYJSKM-LBPRGKRZSA-N 342.442 1.693 0 40 EDAB COc1ccc([C@@H]2NNC(=O)[C@@H]2NC(=O)c2ccc(Cl)cc2)cc1 409052273 GYSVYFKSEHLGKB-LSDHHAIUSA-N 345.786 1.823 0 40 EDAB COC1CCC(CNC(=O)N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)CC1 1553463099 ZHFNRHVVLGNPQH-NEXFUWMNSA-N 335.452 1.061 0 40 EDAB CCCCNc1ccc(S(=O)(=O)NCCOC)cc1C(=O)O 217596068 XNNFUUCANOSENP-UHFFFAOYSA-N 330.406 1.522 0 40 EDAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)(C)C 217464477 MMTHMXCCEUIEDB-UHFFFAOYSA-N 330.406 1.520 0 40 EDAB COc1ccc2cc(NC(=O)CNC(=O)c3cnccn3)cnc2c1 72406018 MDXWGJUSZYEROF-UHFFFAOYSA-N 337.339 1.402 0 40 EDAB O=C(CNC(=O)c1cnccn1)NCCc1c[nH]c2ccc(F)cc12 72402950 ACINUQFJVCMFMT-UHFFFAOYSA-N 341.346 1.186 0 40 EDAB CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 77735457 HNDNPLVKAXIORR-QWRGUYRKSA-N 333.367 1.896 0 40 EDAB Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cccc(-n2cnnn2)c1 72242558 DSSYWYZCQVVNTD-MRXNPFEDSA-N 335.371 1.568 0 40 EDAB C[C@@H]1CN(CCO)CCN1C(=O)NCc1ncc(-c2ccccc2)o1 563687567 MNUUOHJJJGXRQI-CQSZACIVSA-N 344.415 1.550 0 40 EDAB CC1(C)C[C@H](NC(=O)CCN2C(=O)CC3(CCCC3)C2=O)CCO1 79483452 QUEMOCUYKDJOIX-CYBMUJFWSA-N 336.432 1.770 0 40 EDAB COc1ccc(C)cc1NC(=O)C[C@H]1Cn2nc(C)nc2NC1=O 40386695 CKWGECYOHGAWIH-NSHDSACASA-N 329.360 1.501 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)Nc2ccccn2)cc1Cl 226744426 ZFJYDWUOZSDLAM-UHFFFAOYSA-N 341.776 1.400 0 40 EDAB Cc1cc(C)n([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)C2)n1 69561479 GWNIABDFKFMVNT-SJORKVTESA-N 344.459 1.922 0 40 EDAB Cc1[nH]ncc1[C@@H](C)NCCN1CCN(C(=O)C2CCCC2)CC1 195553577 FFJPTQWEPBYFKQ-CQSZACIVSA-N 333.480 1.703 0 40 EDAB CN1CCN(c2ccc(NC(=S)NCc3cccnc3)cn2)CC1 223940391 CWVOQULLBHOIEK-UHFFFAOYSA-N 342.472 1.715 0 40 EDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H](CO)[C@H](O)C1 85468889 ITUWCHSZXCXRFP-ZKYQVNSYSA-N 327.808 1.745 0 40 EDAB COc1cc(C(=O)O)ccc1S(=O)(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 530154672 VJKRUKXVXDKJGL-QSDJMHMYSA-N 343.401 1.484 0 40 EDAB CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(Cc1ccccn1)C2 514290315 XDZIHGLYZPWHJT-ZWKOTPCHSA-N 330.476 1.043 0 40 EDAB biogenic,in-vitro Cc1c(CNC(=O)c2cc(NC(=O)c3ccco3)n(C)n2)cnn1C 46088968 YTWCMXJBSYFLPD-UHFFFAOYSA-N 342.359 1.237 0 40 EDAB COCCN1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244284 JDTQYRHSGOBNTJ-GOSISDBHSA-N 326.400 1.659 0 40 EDAB COc1ncnc2c1CN(C[C@@H](O)COCc1cccs1)CC2 97200471 ZGACWPSONOURCA-GFCCVEGCSA-N 335.429 1.483 0 40 EDAB Cc1cnn(CC(=O)NC[C@@H](O)c2ccc(OC(F)F)cc2)c1 96419987 ITPQJOLHDZTZKT-CYBMUJFWSA-N 325.315 1.643 0 40 EDAB CN1CCN(c2ncnc3c2CCN(Cc2cccs2)CC3)CC1 96255669 WYICSDJRCUNDRK-UHFFFAOYSA-N 343.500 1.891 0 40 EDAB O=C(Cc1cccc(F)c1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96209464 GFSZTRSQEQGWTM-FUHWJXTLSA-N 332.419 1.937 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cccn3C)C2)no1 96208222 DOEPLMNYPRQWET-KDOFPFPSSA-N 344.415 1.200 0 40 EDAB Cc1c(NC(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)nnn1Cc1ccncc1 579530884 IVQOPWOGMNXZJM-CKEIUWERSA-N 327.388 1.926 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3[C@H](C[C@H](Cn4cccn4)N3C)C2)cn1 96064422 MPSHOIPCFPFMLE-INMHGKMJSA-N 340.431 1.217 0 40 EDAB Cn1ncc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(Br)c1=O 95400762 GTUXURLTXVQVLX-XROYCOCOSA-N 328.210 1.768 0 40 EDAB CCc1ccc(CN2CCc3ncc(Cn4cncn4)n3CC2)o1 96196985 XIDZLULDTRSDSP-UHFFFAOYSA-N 326.404 1.737 0 40 EDAB CC(C)[C@H](C)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 97103762 VJEHAWYVIZTLSA-JTQLQIEISA-N 331.404 1.482 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC[C@H]1CCCN(C)C1 96502170 YZDRRJGDECGKEQ-OAHLLOKOSA-N 342.509 1.776 0 40 EDAB c1cncc(COC[C@H]2CN([C@@H]3CCOC3)Cc3ccnn3C2)c1 96067300 CPGHBHZXYMCMML-FUHWJXTLSA-N 328.416 1.716 0 40 EDAB C[C@H]1CN(C(=O)NC[C@@H](C)[S@](C)=O)CCN1CC(F)(F)F 96485922 KSVWQCIKRXFBNF-ASWVTFRLSA-N 329.388 1.031 0 40 EDAB CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNCc1ccccc1F)OCC2 96068169 HASYLAKYOMVWAN-MRXNPFEDSA-N 346.406 1.514 0 40 EDAB c1cnc(N2CCC[C@@]3(COCCN(c4nncs4)C3)C2)cn1 96229244 XFYYJJFYONWPHU-OAHLLOKOSA-N 332.433 1.452 0 40 EDAB CN(C)CCn1cc(NC(=O)N2CCN(C3CCCC3)CC2)cn1 96447209 JJODXKWJLZFGIB-UHFFFAOYSA-N 334.468 1.537 0 40 EDAB COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3cccs3)C[C@@H]12 96040830 IZMRQNZBBYMHPF-FMKPAKJESA-N 338.473 1.595 0 40 EDAB COCCN1CCN(c2ccc3ccc(C(=O)NC4CC4)cn23)CC1 96155894 YVPMUOOEOGLWEM-UHFFFAOYSA-N 342.443 1.600 0 40 EDAB COc1ccccc1NC(=O)C[C@H](C)NC[C@H]1CN(C)CCN1C 96477458 PYSDQHPWFCWSDG-GJZGRUSLSA-N 334.464 1.248 0 40 EDAB CCc1noc(CN(C)C(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 96420749 AGLLGSFMOIOGMA-OAHLLOKOSA-N 344.415 1.491 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(OCc3nnnn3C)cc2)C1 96101301 SLGAXLBFAATXQD-STQMWFEESA-N 329.404 1.907 0 40 EDAB CN1C(=O)C[C@@H](NCc2noc3c2CCCC3)[C@@H]1c1ccnn1C 583620222 LMWQKVVKYXGPRF-SJKOYZFVSA-N 329.404 1.349 0 40 EDAB N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cn2nnc3ccccc32)C1 583619888 VMCDRTRRVJULQU-SKDRFNHKSA-N 327.310 1.312 0 40 EDAB O=C1NCCO[C@H]2CN(C(=O)c3cnc4ccccc4c3)CC[C@@H]12 96107064 IKAJSRHJJINJID-ZBFHGGJFSA-N 325.368 1.212 0 40 EDAB Cc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N4CCN(C)CC4)CC[C@H]32)o1 96057505 SPDNQUACEUVMSF-KZNAEPCWSA-N 347.459 1.484 0 40 EDAB CON(C)C(=O)[C@@H]1CCCN1C(=O)c1cncn1-c1ccccc1 585089410 LKYMODNCAXEWDF-AWEZNQCLSA-N 328.372 1.497 0 40 EDAB Cc1nc(C(=O)NCCCc2nc[nH]n2)nn1-c1ccc(F)cc1 585083369 YJXJDOMSZIKABH-UHFFFAOYSA-N 329.339 1.196 0 40 EDAB O=C([C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cccnc1)N1CCSCC1 247823732 IHAPIGQLLYGIES-JYJNAYRXSA-N 345.468 1.752 0 40 EDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O)c1ccccc1F 257336590 YPCKFIQYPCTXOM-NCOADZHNSA-N 331.343 1.497 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCOC[C@@H](Cc2ccncn2)C1 257340099 ZENGRGTZYPJBPJ-HNNXBMFYSA-N 329.375 1.876 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)Cn2nc(C)cc2C)n1 257327173 XAHGZRWJURKPOM-CQSZACIVSA-N 344.419 1.240 0 40 EDAB COc1cccc2[nH]c(C(=O)N3CCN(C(C)C)[C@@H](C(N)=O)C3)cc12 257235754 GZGSWHQATDUNLK-OAHLLOKOSA-N 344.415 1.197 0 40 EDAB CCN1CCN(CC(=O)N2CCC[C@H](c3ccnc(C)n3)C2)CC1 257244908 INIBOLFXCDMIDP-INIZCTEOSA-N 331.464 1.129 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)COc2ccccc2F)n1 257329125 XIOXIBAIHBNPPM-CQSZACIVSA-N 347.346 1.609 0 40 EDAB Cc1n[nH]c(C)c1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 257254044 KBIMHZJMDWZJTP-ZDUSSCGKSA-N 349.460 1.698 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)CN2CCC(C)CC2)n1 257308820 TYGNGNUMHCDICC-OAHLLOKOSA-N 347.463 1.459 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC[C@@H]1O 257241620 HYUHAUXFEPVYSH-ROUUACIJSA-N 343.427 1.886 0 40 EDAB Cc1c[nH]c(-c2cncc(CC3CCN(S(C)(=O)=O)CC3)n2)n1 257273257 NFWJAXONIDIENN-UHFFFAOYSA-N 335.433 1.389 0 40 EDAB O=c1nc(O)c(Cl)cn1[C@@H]1CCC[C@@H](NCc2ccccc2)[C@H]1O 257329738 XLIBJZPYAYGQLW-RBSFLKMASA-N 349.818 1.847 0 40 EDAB CCCn1cc(CN2CCC3(CC2)CN(C(C)=O)[C@@](C)(CO)C3)cn1 257227798 FQYFMGQDDBXKEN-GOSISDBHSA-N 348.491 1.879 0 40 EDAB C[C@]12C[C@@H](O)[C@@H](O)CN[C@@H]1CCCC(=O)N2Cc1ccccc1F 257237314 HFXYJJDZZAXENW-HPFXQQBRSA-N 336.407 1.181 0 40 EDAB Cc1nc2ccc(N3CCN(C(=O)c4ccc(C)s4)CC3)nn2n1 252497074 PYIIJIXLEPQMMF-UHFFFAOYSA-N 342.428 1.765 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)on1 253600537 RYMYBKFWKKFVIJ-LBPRGKRZSA-N 330.344 1.226 0 40 EDAB CCCc1cc(N2CCC[C@H](Cn3cncn3)C2)n2ncnc2n1 69630392 KWLWRNQSFGPHNM-ZDUSSCGKSA-N 326.408 1.585 0 40 EDAB CC(=O)N1CCc2ccc(S(=O)(=O)Nc3c[nH]nc3C)cc2CC1 252499472 SBELSJWIIPKDLZ-UHFFFAOYSA-N 348.428 1.466 0 40 EDAB CCc1nnc2n1C[C@@H](CNCC(=O)N(C)Cc1ccc(C)o1)CC2 69707488 IACQNZYAKXJYIU-CQSZACIVSA-N 345.447 1.553 0 40 EDAB Cc1cn2c(CN(C)C(=O)c3cccn(C)c3=O)c(C)nc2s1 270446829 MAIOHIOJUWJDRB-UHFFFAOYSA-N 330.413 1.984 0 40 EDAB Cc1cccc(=O)n1C[C@](C)(O)C(=O)Nc1cc(CC(C)(C)C)n[nH]1 280459492 SHIGSPCAYDRBEI-SFHVURJKSA-N 346.431 1.858 0 40 EDAB O=S(=O)(NCc1ccccc1Cn1cccn1)[C@@H]1CCC[C@@H]1O 1615205904 LLLACISJAVORBW-JKSUJKDBSA-N 335.429 1.264 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)N[C@@H](C)[C@H]3COC(C)(C)O3)cc12 1615571404 IJYNPOGDOVIZKA-GXFFZTMASA-N 333.392 1.938 0 40 EDAB CCN1CCN(C2CN(C(=O)COCc3ccc(OC)cc3)C2)CC1 1616032398 NEZZPKYWGVZHAJ-UHFFFAOYSA-N 347.459 1.060 0 40 EDAB CCCS(=O)(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96122164 IUARAGOKZIAQFI-UHFFFAOYSA-N 337.850 1.538 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@@H](C(=O)NCC2CCOCC2)C1 575404308 LKIOPSMGICHQED-OAHLLOKOSA-N 334.420 1.109 0 40 EDAB COc1ncccc1C(=O)NCc1cncc(N2CCCC2=O)c1 575609009 RDBPGJNMSBDSLX-UHFFFAOYSA-N 326.356 1.542 0 40 EDAB Cc1cc(CNC(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)no1 585141125 QACPGNZVAIRISR-SFHVURJKSA-N 327.384 1.690 0 40 EDAB CO[C@H]1CCCN(C(C)=O)[C@H]1CCC(=O)NCc1nc(C)cc(C)n1 585281041 RYUAEWFMSIWNTR-HOTGVXAUSA-N 348.447 1.516 0 40 EDAB CCOc1ccc(C(=O)N(CC(C)C)C[C@@H]2COC[C@@H](O)[C@H]2O)o1 585287997 LCHNEPMEVVFTCS-IOASZLSFSA-N 341.404 1.145 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@]2(CCN(C(=O)C3CC(O)C3)C2)C1=O 585106929 LJYHJJULJKRRIB-IADFQQGMSA-N 328.412 1.232 0 40 EDAB C[C@@H]1c2ncc(CCOc3ccccn3)n2CCN1S(C)(=O)=O 585097562 LVCMFENGBJKABC-GFCCVEGCSA-N 336.417 1.236 0 40 EDAB Cc1cn([C@H]2CCN(Cc3cccs3)CC[C@@H]2O)c(=O)nc1O 585260798 QMGIAXMFEXOSCP-KBPBESRZSA-N 335.429 1.517 0 40 EDAB Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)c2cn(C)cn2)C1 585277391 VWHANQOGULYZLX-SFHVURJKSA-N 345.399 1.011 0 40 EDAB COC[C@@H]1CCn2nccc2CN1C(=O)c1cccc2c1OCCO2 585097810 QPVUGISGAGLAMD-AWEZNQCLSA-N 343.383 1.715 0 40 EDAB CSC[C@H](C)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 66824887 GOYYZNWOUWGWMF-VIFPVBQESA-N 329.447 1.190 0 40 EDAB COc1ccc(OC)c([C@@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 48039197 MKEMMXRBMSHWGJ-SUMWQHHRSA-N 334.372 1.458 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccc(F)cc1Cl 53338914 YCSXJILEMRDMHL-ZJUUUORDSA-N 328.771 1.970 0 40 EDAB C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1CCOc1ccccc1 75131999 PDWFORXAMTUHKR-HKUYNNGSSA-N 333.476 1.402 0 40 EDAB C[C@@H](O)CN1CCC(CN(C)CCC(=O)NC2CCCCC2)CC1 75133418 LIOZRZRSHJIZPF-MRXNPFEDSA-N 339.524 1.850 0 40 EDAB Cn1nc(C2CCN(C(=O)c3cccs3)CC2)n(C2CC2)c1=O 77148646 DIFDJHZAZOFILL-UHFFFAOYSA-N 332.429 1.998 0 40 EDAB CC[C@@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@H]1N1CCOCC1 84736132 MPORXLGBJBPNDF-GDBMZVCRSA-N 343.431 1.221 0 40 EDAB Cc1noc(CCCNS(=O)(=O)c2ccsc2C(=O)O)n1 576634252 DPUGCOISHIKPJJ-UHFFFAOYSA-N 331.375 1.049 0 40 EDAB O=C(N[C@H](Cc1ccccc1)C(=O)NCCO)c1ccc(Cl)cc1 98066945 CTSCUWJCCBQMNM-MRXNPFEDSA-N 346.814 1.790 0 40 EDAB COc1cc(N2CCN(C(=O)Cc3cncc(O)c3)CC2)ccc1F 566469850 JBRYEIXSQINXSD-UHFFFAOYSA-N 345.374 1.826 0 40 EDAB COc1cc([C@@H]2N[C@H](C(=O)O)Cc3[nH]cnc32)cc(OC)c1OC 5728265 DCGSQVPEJVYNBL-GWCFXTLKSA-N 333.344 1.124 0 40 EDAB CCS(=O)(=O)N1C[C@H](C(=O)NCCC(C)C)Oc2ccccc21 13681855 NJXCBTFARHEYFJ-OAHLLOKOSA-N 340.445 1.766 0 40 EDAB CCOC(=O)/C(C1=NC(=O)[C@H](C)S1)=C1/NN=C(c2ccccc2)O1 6438871 FIVIHEMKAKXEBQ-ZQQXWWNKSA-N 345.380 1.803 0 40 EDAB CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@@H](C)C(=O)O)cc2)CC1 515176210 CWUQATFBBHDSLK-CYBMUJFWSA-N 347.415 1.052 0 40 EDAB Cc1cccc(O[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)n1 238865960 LUAGNMFOQLDUTL-CYBMUJFWSA-N 328.372 1.663 0 40 EDAB COc1ccc(CCNC(=O)[C@H](C)NC(=O)NC[C@H]2CCCO2)cc1 585089554 WOFXIVJTYWEFOY-XJKSGUPXSA-N 349.431 1.221 0 40 EDAB COc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OC(C)C 17636032 DAIRGRUFHHQKOG-LBPRGKRZSA-N 327.402 1.399 0 40 EDAB COc1cnc(OC2CCN(Cc3ccc(OC)nc3)CC2)nc1 1137039655 GNBKDKQSTWOTMD-UHFFFAOYSA-N 330.388 1.932 0 40 EDAB Cc1nn(C)c(C)c1CN1CC[C@]2(COCC(=O)N(C(C)C)C2)C1 2037984206 UFBGEGXUFKNLJR-SFHVURJKSA-N 334.464 1.496 0 40 EDAB COc1ccnc(N2CC[C@@H](COc3ccc4nccn4n3)C2)n1 2087038298 UBRZBCNDYHFVLT-GFCCVEGCSA-N 326.360 1.433 0 40 EDAB Cc1ccnc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)n1 2087121361 ILTPZOXIQICYNG-UHFFFAOYSA-N 326.448 1.720 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCc1ccccc1 41306 LPIKUTPXASWEHJ-UHFFFAOYSA-N 349.188 1.429 0 40 EDAB COCCNC(=S)N1CCN(c2nsc3ccccc23)CC1 9481916 SDOFNUYVXRZYMS-UHFFFAOYSA-N 336.486 1.939 0 40 EDAB COc1ccccc1OCC(=O)N1CC(N2CCC(OC)CC2)C1 575610625 LQMZKKIPLARJKE-UHFFFAOYSA-N 334.416 1.396 0 40 EDAB COc1cc(NC(=O)NCc2nc(OC)nc(OC)n2)cc(OC)c1 575607786 QJGYDSNMPRHOGS-UHFFFAOYSA-N 349.347 1.228 0 40 EDAB COc1ccc(-c2nnc(SCC(=O)NC3CC3)n2C)cc1OC 1355975 QBMLXNQXFBDMBS-UHFFFAOYSA-N 348.428 1.870 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@@H]2Cc2ccccc2)ccc1=O 30763943 WTUWVHFOTPLFNC-MRXNPFEDSA-N 341.411 1.737 0 40 EDAB O=C(NC[C@H]1CCCO1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 40476340 OYAWLWZPFHYIMP-CQSZACIVSA-N 344.415 1.855 0 40 EDAB NS(=O)(=O)c1ccc(Cl)c(C(=O)NOCc2ccccc2)c1 31616386 IEHXVVXPVPKVQO-UHFFFAOYSA-N 340.788 1.849 0 40 EDAB Cc1ccc(OCCC(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c1 40520967 FABKCHQXSIXEQS-UHFFFAOYSA-N 340.445 1.176 0 40 EDAB O=C(Nc1nnc(C(F)(F)F)[nH]1)[C@H]1CC(=O)N(c2ccccc2)C1 40511989 ZFNSDZBCVLUJHB-QMMMGPOBSA-N 339.277 1.815 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC(CC(N)=O)CC1 40542593 POGASLHNMXYLMJ-UHFFFAOYSA-N 342.399 1.609 0 40 EDAB CCSc1ccc(NC(=O)NCCCNS(=O)(=O)CC)cn1 51645147 BNGVFKSGMCFEOS-UHFFFAOYSA-N 346.478 1.645 0 40 EDAB COc1ccc(CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 41398821 IHGWCXDMWAKRBK-MRXNPFEDSA-N 332.400 1.088 0 40 EDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)c1ccc(F)cc1 21912507 UHOWVQCFWHBDFU-SECBINFHSA-N 342.378 1.882 0 40 EDAB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccnc2)cn1 70945703 KJHUZQYTWWJZCY-UHFFFAOYSA-N 327.388 1.578 0 40 EDAB CCCCN(CCO)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC 70947881 QUGGQBRBBITTEX-QGZVFWFLSA-N 348.443 1.207 0 40 EDAB COC(=O)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 53575206 LVRBRQKOHJRJPM-UHFFFAOYSA-N 338.371 1.680 0 40 EDAB CC(=O)Nc1ccc(C(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 22510802 NQXOTSVNJFEDNE-QGZVFWFLSA-N 333.432 1.732 0 40 EDAB CCN1CCN(c2ccc(C(=O)NCc3nccn3C)cc2F)CC1 78488413 XOOZQFXGEYAAGE-UHFFFAOYSA-N 345.422 1.631 0 40 EDAB O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 104044511 DHFHJLRUFGWPSJ-DDHJSBNISA-N 325.368 1.615 0 40 EDAB aggregator Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CC[C@@H](C(N)=O)C1 53895022 RGAFABKPYPHJAT-CYBMUJFWSA-N 344.390 1.505 0 40 EDAB C[C@]1(CNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CCCO1 79070198 CFSOFUUGPPGSBF-QFBILLFUSA-N 330.428 1.905 0 40 EDAB CN(C)[C@@H](CNC(=O)Cn1ncc2ccccc2c1=O)c1ccco1 23187133 FQAMKBLATBSMLS-HNNXBMFYSA-N 340.383 1.409 0 40 EDAB COc1ccc([C@@H](NC(=O)CCNS(C)(=O)=O)C2CC2)cc1 42476374 ILQVLKRLGNIWQX-HNNXBMFYSA-N 326.418 1.202 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCC(=O)Nc1ccccc1 54585782 OOWBFLFWZDRDAG-MRXNPFEDSA-N 343.383 1.789 0 40 EDAB O=C1COc2c(cccc2C(=O)N2CCC[C@@H](n3cncn3)C2)N1 105856034 XHJCHAYXQKWCFX-LLVKDONJSA-N 327.344 1.086 0 40 EDAB CCn1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1 24577206 UDELFOCALXVTGT-UHFFFAOYSA-N 329.403 1.107 0 40 EDAB C[C@@H](C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)n1cncn1 55409990 VUBDQUZHHRSELR-ZDUSSCGKSA-N 348.451 1.462 0 40 EDAB C[C@H](O)CN1CCN(C[C@@H](O)COCc2ccccc2F)C[C@H]1C 106869171 APAXUUNJALDEOO-HLLBOEOZSA-N 340.439 1.090 0 40 EDAB CC(=O)N(C)CC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 56479451 CIMYPFWYWNMUNJ-UHFFFAOYSA-N 344.459 1.635 0 40 EDAB O=S(=O)(Cc1ncc(Cl)cc1Cl)Cc1nnnn1C1CC1 97161616 YFQOHJPHZXWPMM-UHFFFAOYSA-N 348.215 1.825 0 40 EDAB CN(C)C(=O)[C@H]1C[C@H]2CN(C(=O)NCCc3ccccc3)C[C@H]1O2 107263225 FCXBYSQNTOVXBB-HRCADAONSA-N 331.416 1.116 0 40 EDAB NS(=O)(=O)c1ccc(CCC(=O)OCC(=O)c2ccc[nH]2)cc1 24242174 WGTUIZPVESZYEK-UHFFFAOYSA-N 336.369 1.021 0 40 EDAB CCC1(CC)NC(=O)N(Cc2cc(=O)n3ccc(C)cc3n2)C1=O 48290549 PEZGKBLUQBYOCB-UHFFFAOYSA-N 328.372 1.614 0 40 EDAB CCC(CC)NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 58172003 MLSAKIGXLGUGCZ-UHFFFAOYSA-N 346.836 1.987 0 40 EDAB COC(=O)[C@H](C)CN(C)S(=O)(=O)c1cnn(-c2ccccc2)c1 58281007 UXKBKRYUCSLOPB-GFCCVEGCSA-N 337.401 1.302 0 40 EDAB NC(=O)CN(C(=O)c1ccc(N2CCOCC2)cc1)C1CCCC1 58258441 AHEYWMVCOOCLJB-UHFFFAOYSA-N 331.416 1.393 0 40 EDAB CC(C)COC[C@@H](O)CNC(=O)NCc1cnn(-c2ccccc2)c1 44967528 FWTANBKKMKFMTQ-KRWDZBQOSA-N 346.431 1.705 0 40 EDAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCC(C(=O)NC[C@@H](C)O)CC1 44950983 RQZKJWCXPZECBA-NEPJUHHUSA-N 338.452 1.637 0 40 EDAB O=C(NCc1ccc(O)cc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 58394172 NZSHZKGBMHKBED-OAHLLOKOSA-N 331.416 1.936 0 40 EDAB CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC[C@H](O)C2)nc1 58421416 AFCHHUAWZTVULN-OLZOCXBDSA-N 327.450 1.510 0 40 EDAB O=C(CN1[C@H]2CC[C@H]1CC(O)(c1ccccn1)C2)NC[C@@H]1CCCO1 100162297 GHPILHUAJPAVBH-JYJNAYRXSA-N 345.443 1.191 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCOC3)CC2)c1OC 58707555 ALDIQBWZFUDBAK-CYBMUJFWSA-N 348.399 1.025 0 40 EDAB CCN1CC[C@H](CNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)C1 58923050 YMJGFTAPABTJMC-MRXNPFEDSA-N 342.443 1.623 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN1CCC(C(N)=O)CC1 28927651 HTGUXZWIFYSCBJ-UHFFFAOYSA-N 331.416 1.172 0 40 EDAB COc1ccc(Cl)cc1CNC(=O)N[C@H]1CCCCNC1=O 45666654 HOGFTOLPAKXHQM-LBPRGKRZSA-N 325.796 1.817 0 40 EDAB NC(=O)C1CCN(C[C@H](O)COCc2ccccc2Cl)CC1 2654561 UNJGLDTXMQXOBF-AWEZNQCLSA-N 326.824 1.415 0 40 EDAB C[C@H](NC(=O)NC[C@H](O)CO[C@H](C)c1ccccc1)c1nncn1C 46871289 LZORQVMONIMTGQ-GUTXKFCHSA-N 347.419 1.314 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(OC[C@@H]2CCCO2)c1 12910882 DGGANGNSBRTZNX-HIFRSBDPSA-N 339.413 1.161 0 40 EDAB CCCNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 12972927 HZQVXCQYIWLLRY-LLVKDONJSA-N 337.807 1.335 0 40 EDAB C[C@@H](CC(=O)Nc1ccc(C(N)=O)cc1)NC(=O)c1ccccc1 12905165 PYWLETVOQLHZBX-LBPRGKRZSA-N 325.368 1.933 0 40 EDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 65404070 AUCAJBUGWPLATE-ZDUSSCGKSA-N 335.473 1.829 0 40 EDAB CC(=O)NCCc1c[nH]c2ccc(OC[C@@H](O)CNC(C)C)cc12 4073692 ZJSLRTYOOQXDRI-HNNXBMFYSA-N 333.432 1.584 0 40 EDAB biogenic C[C@H]1C[C@H](C)CN(C(=O)CCn2nc(O)c3ccccc3c2=O)C1 25377520 FRCQCSRTLSOPIM-STQMWFEESA-N 329.400 1.997 0 40 EDAB Cc1cc(C)n2c(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)nnc2n1 6172249 OBZCMZLGHBLVCY-VXGBXAGGSA-N 335.433 1.469 0 40 EDAB NC(=O)NC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1 5108489 ZZTJJLYEYKNHCR-UHFFFAOYSA-N 339.307 1.847 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)C(=O)C1CCN(C(N)=O)CC1 49941358 OTSNJILEMNVRHY-ZDUSSCGKSA-N 333.388 1.076 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)[C@@H]1CCCO1 97374122 UXLMUQFRKZNMKM-QEJZJMRPSA-N 336.457 1.965 0 40 EDAB CN1CCc2ncnc(N3CCN(C(=O)c4cccs4)CC3)c2C1 65478977 YIJFTHPYAZZIJV-UHFFFAOYSA-N 343.456 1.488 0 40 EDAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 6352398 DLVRVQQKBLBHST-UHFFFAOYSA-N 348.380 1.681 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)c1ccc(-c2ccco2)[nH]c1=O 65500511 VUCOLFAFJUXHQN-LLVKDONJSA-N 329.356 1.376 0 40 EDAB Cc1cc(O[C@@H](C)C(=O)NCCCO)c2c3c(c(=O)oc2c1)CCC3 5321829 XLEILNVAUCMXOD-LBPRGKRZSA-N 345.395 1.856 0 40 EDAB CC(C)NC(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O 14139506 KORBIBXYBJTYTL-QGZVFWFLSA-N 329.356 1.724 0 40 EDAB Cc1ccccc1C(=O)NCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14267716 IUOMJGBQPKBUGF-UHFFFAOYSA-N 338.367 1.923 0 40 EDAB CCOC(=O)CSCC(=O)N(C)CC(=O)Nc1ccc(C)cc1 6543650 ASGYHDJMKKUROF-UHFFFAOYSA-N 338.429 1.688 0 40 EDAB C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CCc3ccncc3)CC2)C1 66566550 WODRPXSRSYSTDB-PKOBYXMFSA-N 344.503 1.937 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CNC(=O)c2ccccc2)[C@@H]1C 5716948 BVMPKVBRIVFGKC-IIAWOOMASA-N 346.427 1.901 0 40 EDAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2CCCC2)C1=O 5791772 VLMVYMYVEWSOAL-MRXNPFEDSA-N 337.326 1.354 0 40 EDAB CCSc1nc2nc(CSc3nnc(N)s3)cc(O)n2n1 9420690 QMUSJWWELZRIGY-UHFFFAOYSA-N 341.447 1.668 0 40 EDAB NC(=O)COc1cccc(C(=O)N2CCC[C@H](n3ccnc3)C2)c1 71796511 WMWNSVOMTZJTMX-AWEZNQCLSA-N 328.372 1.225 0 40 EDAB COc1ccccc1NC(=O)C[C@H](C)NCCc1nnc2n1CCC2 95419919 ZDWDXGFQCHXBLD-ZDUSSCGKSA-N 343.431 1.782 0 40 EDAB Cn1nccc1CNC(=O)C1CCN(C(=O)c2ccccc2)CC1 96426203 GLTBINNSWSZJCX-UHFFFAOYSA-N 326.400 1.589 0 40 EDAB CN1CCN(c2ccc(F)cc2C(=O)NCC(C)(C)N(C)C)CC1 96412335 IHNOJXGXRUZEEK-UHFFFAOYSA-N 336.455 1.648 0 40 EDAB CCN1CCN([C@H](C)CNc2ccccc2S(C)(=O)=O)CC1 96453479 BFTHCVATUVNOJU-CQSZACIVSA-N 325.478 1.528 0 40 EDAB C[C@H](Cn1cnnc1)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 95450580 XMIQCNQQUMMDGJ-PELKAZGASA-N 329.187 1.823 0 40 EDAB O=C(N[C@H]1CCc2c(O)cccc21)[C@H]1CC(=O)N(CC(F)(F)F)C1 71898046 OQYPCCLGIMEXKS-CABZTGNLSA-N 342.317 1.907 0 40 EDAB O=C(NCC1(N2CCCCC2)CCOCC1)c1cn2cccnc2n1 71896784 VLRFDUJAGTWUCC-UHFFFAOYSA-N 343.431 1.494 0 40 EDAB Cc1nc(CN2CCC[C@H](N(C)CC(=O)NCc3ccco3)C2)no1 71870489 STHJDJGJFCKQQG-AWEZNQCLSA-N 347.419 1.184 0 40 EDAB CCc1nc(CN2CCC[C@H](N(C)Cc3nnnn3C3CC3)C2)no1 71882291 PXSRMGQHRTYWJN-ZDUSSCGKSA-N 346.439 1.050 0 40 EDAB O=C(Nc1cccc2c1OCCO2)N1CCN(C[C@@H]2CCCO2)CC1 71856996 KUVOZIFYQZGTGP-AWEZNQCLSA-N 347.415 1.786 0 40 EDAB Cn1c([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)n[nH]c1=S 71896207 QVUYYRKZKXDGSL-MNOVXSKESA-N 349.460 1.195 0 40 EDAB NC(=O)CN(C(=O)Cc1cnn(-c2ccccc2)n1)C1CCCC1 71821147 YIHBOMJWYGPLNJ-UHFFFAOYSA-N 327.388 1.066 0 40 EDAB Cc1nnc2ccc(N3CCN(c4ncnc5ccccc45)CC3)nn12 71859482 AWMHVQRYWMYPOP-UHFFFAOYSA-N 346.398 1.703 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 95447250 ZHGUOBRCTOMNRQ-RNCFNFMXSA-N 341.774 1.492 0 40 EDAB Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c(=O)[nH]1 71900082 OTQNEEVUXCFZKQ-CYBMUJFWSA-N 343.358 1.666 0 40 EDAB C[C@@H]1SCCN(C[C@H](O)CN2CCOCC2)[C@@H]1c1ccccc1 71911254 MWWAIQYUTKDPAC-JQHSSLGASA-N 336.501 1.858 0 40 EDAB CON(C)C[C@@H](O)Cn1cc(Nc2cc(C)nc(C(C)(C)C)n2)cn1 71915179 UNKQYSFBYSTREA-CQSZACIVSA-N 348.451 1.877 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CC[S@](=O)c3ccccc3)CC2)n1 69393443 NZLVXJNGADLWFA-JBEBIEQOSA-N 348.472 1.864 0 40 EDAB CCCN(CC(F)(F)F)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 69352221 ZYSNSNZQRBWCEQ-LLVKDONJSA-N 334.342 1.703 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 69460827 PLJPYHYSFGWEDQ-ZGRWHYIRSA-N 345.418 1.780 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 69460304 GGOZBTQTZILMNK-QWHCGFSZSA-N 339.465 1.145 0 40 EDAB C[C@@H](Cn1cccn1)NCC(=O)N1CCN(Cc2cccs2)CC1 69413723 AWFGVKAOWCRJRG-HNNXBMFYSA-N 347.488 1.267 0 40 EDAB COCCN(Cc1cccs1)C(=O)CN1CCn2c(C)nnc2C1 69519461 HEWAXKVOGKSBLK-UHFFFAOYSA-N 349.460 1.139 0 40 EDAB NS(=O)(=O)NC[C@H]1CCCN(Cc2c(F)cccc2Cl)C1 69517182 KBTSDKRDSBQAAW-SNVBAGLBSA-N 335.832 1.484 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@H](O)c1cccc(F)c1 69615610 MGSLGZPQGJXKNG-ROUUACIJSA-N 342.370 1.953 0 40 EDAB Cc1cnc(C(=O)N2CCC(N(C)c3ccc(C)nn3)CC2)cn1 69666587 VEIUNNRTQORDGB-UHFFFAOYSA-N 326.404 1.624 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)N3CCS(=O)CC3)cc2F)n1 69702926 DXUNNHQGOBIAJN-UHFFFAOYSA-N 335.404 1.833 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69773422 CEEVTBBAGDTCIR-OAHLLOKOSA-N 334.464 1.312 0 40 EDAB CN(Cc1csc(-c2ncccn2)n1)CC1CCN(CCO)CC1 69738537 ZUOZJLCEVBJUAA-UHFFFAOYSA-N 347.488 1.736 0 40 EDAB CCc1nc2n(n1)C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)CC2 69843191 RCJBDDFOXQIKPI-CRAIPNDOSA-N 339.443 1.765 0 40 EDAB CCCn1nnnc1CN1CCCN(c2nc3ccccc3[nH]2)CC1 69922345 FEZJVKFOUUXEPR-UHFFFAOYSA-N 340.435 1.672 0 40 EDAB NS(=O)(=O)N1CCCN(C(=O)CCc2cccc(Cl)c2)CC1 69980028 XNYHQSTWVWPEAV-UHFFFAOYSA-N 345.852 1.010 0 40 EDAB C[C@H](c1ccccc1F)N1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 95407948 NMVWILAESOFTTO-GFCCVEGCSA-N 344.390 1.772 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H]1CCOC1=O 18243202 LAQCOWVVDQZLSV-STQMWFEESA-N 339.775 1.953 0 40 EDAB CCOc1ccccc1-n1nnnc1S[C@H]1CCCCNC1=O 8704503 DFJYRQWFRZNXAD-ZDUSSCGKSA-N 333.417 1.822 0 40 EDAB CS(=O)(=O)CC1(CNC(=O)NCc2cccc(Cl)c2)CC1 83984556 XUERRARKBCIGOT-UHFFFAOYSA-N 330.837 1.964 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)sc1C 72297347 KLIOZVFEIAWIGS-LBPRGKRZSA-N 332.429 1.873 0 40 EDAB COC[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1 72287914 LXGNZLGQDSPVED-VXGBXAGGSA-N 330.306 1.788 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC[C@H](n2cncn2)C1 72235068 MMCULGUUETZMLK-RDJZCZTQSA-N 339.399 1.419 0 40 EDAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCc1ccc(=O)[nH]c1 73798190 MPZMPUIPJVELOT-KRWDZBQOSA-N 341.411 1.282 0 40 EDAB CCn1cc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cn1 89305749 NFFRVOLKQLJTQC-MSOLQXFVSA-N 340.427 1.628 0 40 EDAB CC(C)c1nc(CC(=O)N2CC[C@@H](CN3CCOCC3)C2)cs1 76041698 AJRXZJPTWATOMJ-AWEZNQCLSA-N 337.489 1.990 0 40 EDAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCCCNC(N)=O 76017377 ISTKJOAJYUKTAK-LLVKDONJSA-N 327.812 1.980 0 40 EDAB Cc1nc(S(=O)(=O)NC(=O)c2cccc3c2OCC3(C)C)cn1C 408498348 KJKSIEWESKNMFO-UHFFFAOYSA-N 349.412 1.517 0 40 EDAB Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H]1CCc2cncn2C1 553531953 GVPOXTIIAUYBRT-CQSZACIVSA-N 341.415 1.624 0 40 EDAB CC[C@@H](C(N)=O)N1CCC(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)CC1 1004070099 FQEPAKWPIOEFSV-CVEARBPZSA-N 349.862 1.824 0 40 EDAB N[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218061037 CPMGZWJFQHDAPZ-JYJNAYRXSA-N 337.828 1.970 0 40 EDAB COc1cccc([C@H]2CCCN2C(=O)COCc2nncn2C)c1 560999008 XGCPYXPOXDMVIF-OAHLLOKOSA-N 330.388 1.704 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)CNC(=O)c2cnoc2C)c1 32809658 JGDHBLWZHNNHCI-UHFFFAOYSA-N 331.328 1.447 0 40 EDAB CS(=O)(=O)c1ccc([C@H]2OC(c3ccccc3)=N[C@@H]2CO)cc1 34361325 BOCXPQQPWOKDFW-HZPDHXFCSA-N 331.393 1.969 0 40 EDAB in-vitro COCC(=O)N1CCC[C@H](c2cnc(Nc3ncccn3)cn2)C1 72362312 JYXSQYAGQRVIJD-LBPRGKRZSA-N 328.376 1.363 0 40 EDAB CCN(C(=O)c1cn2cccnc2n1)[C@@H]1CCN(c2ccccc2)C1=O 78915215 YMKDTZIGRCXFOU-MRXNPFEDSA-N 349.394 1.997 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)O)CC2)[C@@H]1c1ccccc1 563067291 DNSWYGNPAJCAJF-DOMZBBRYSA-N 338.429 1.721 0 40 EDAB CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)cc1 71285818 VHZRLLKNZKMZJP-KBPBESRZSA-N 347.415 1.273 0 40 EDAB O=C(c1cn[nH]n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 47815726 ZSAIHVHAAVIMPD-UHFFFAOYSA-N 325.294 1.786 0 40 EDAB CCn1nc(C)c(CNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)c1C 40776575 JZBOKFLRHXQMHQ-GOSISDBHSA-N 342.399 1.926 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc(O)cc1O2 225819600 MGKXYYPQSQQGRF-UHFFFAOYSA-N 325.386 1.542 0 40 EDAB O=C(Cn1ccc2ccccc21)Nc1cc(N2CCOCC2)ncn1 75166252 OYBPIUGCFCOTAK-UHFFFAOYSA-N 337.383 1.907 0 40 EDAB COc1ccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)cc1OC 41670362 YOCZSSTUVVZPOU-UHFFFAOYSA-N 332.312 1.202 0 40 EDAB CCCN1CCN(C(=O)CCS(C)(=O)=O)c2cc(F)ccc21 195579240 SGXWBRSQWMVBGO-UHFFFAOYSA-N 328.409 1.823 0 40 EDAB O[C@H]1C[C@@H](CNC2CCC3(CC2)OCCO3)N(Cc2ccccc2)C1 195565194 DQBQLMYMPUFTRU-OALUTQOASA-N 346.471 1.897 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCN(c2cc(Cl)ncn2)CC1 81764270 WKTRGXJXTLNHJK-UHFFFAOYSA-N 342.790 1.969 0 40 EDAB COc1ccc(CN2C(=O)CO[C@@H]3CN(C[C@@H]4CCOC4)C[C@H]32)cc1 96246437 UKUZLLQYVKUMSK-CGTJXYLNSA-N 346.427 1.143 0 40 EDAB COc1ccc(CN2CCn3cc(CN4CCOCC4)nc3C2)cc1 96197285 NLLSZAMBHAJULL-UHFFFAOYSA-N 342.443 1.740 0 40 EDAB O=C(CCOc1ccccc1F)N1CCN(C[C@H]2CCOC2)CC1 96454786 QYZIFBABTYJXRL-OAHLLOKOSA-N 336.407 1.775 0 40 EDAB CN1C(=O)CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 96243949 NQQYCWXYAPEIIX-UHFFFAOYSA-N 334.441 1.879 0 40 EDAB CCCS(=O)(=O)N1CCOC[C@@]2(CCN(Cc3ccco3)C2)C1 96202162 OODVVNUOMCTZDS-MRXNPFEDSA-N 342.461 1.544 0 40 EDAB CN1CCC(C(=O)NC[C@H]2OCCc3cn(CC4CC4)nc32)CC1 96044392 VGTXUPUYYFNVOU-MRXNPFEDSA-N 332.448 1.365 0 40 EDAB CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 96308948 SDLXAHDJHMZWKA-CQSZACIVSA-N 349.362 1.232 0 40 EDAB C[C@@H](CNS(=O)(=O)N(C)C)Oc1ccccc1Br 96452759 HDJYBYYAMKITBL-VIFPVBQESA-N 337.239 1.612 0 40 EDAB C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)CC(=O)NCC(F)(F)F 97235737 MLBKDTDIZDBVID-GWCFXTLKSA-N 344.333 1.906 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)no1 96108311 PTZQZYIQGKUPPV-PBHICJAKSA-N 334.420 1.237 0 40 EDAB COc1cc(F)c(F)cc1NC(=O)N1C[C@H]2C[C@H]1CS2(=O)=O 585087342 RIBQARQLTJTKMT-JGVFFNPUSA-N 332.328 1.377 0 40 EDAB COC(=O)c1ccc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)cn1 585079433 SRMRQCLVRFCQTQ-UHFFFAOYSA-N 333.266 1.264 0 40 EDAB COCCN1CC[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 96202012 HOGFXWXYVYAPRL-KRWDZBQOSA-N 337.395 1.032 0 40 EDAB c1ccc(-c2nnn3c2CO[C@@H](CNCC2CCOCC2)C3)cc1 96061096 QKLRONIFPYJKLJ-INIZCTEOSA-N 328.416 1.860 0 40 EDAB CC(C)N(C)C[C@@H]1CO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 96240646 SUVNAWMOZBYGCA-QAPCUYQASA-N 348.447 1.065 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@H]2[C@H](CNc3cccnc3)CC[C@H]21 96082605 JMTPRLRXQOWECX-IAOVAPTHSA-N 339.399 1.603 0 40 EDAB COCCN1CC2(CCN(C(=O)c3ncccn3)CC2)C[C@@H]1COC 96209691 RWQNNNDUCNXSJT-OAHLLOKOSA-N 348.447 1.066 0 40 EDAB Cn1cc(N[C@H]2COC3(CCN(Cc4ccn(C)n4)CC3)C2)cn1 96074211 CXYVGGQHJXHZEX-OAHLLOKOSA-N 330.436 1.389 0 40 EDAB CC[C@H](OC)C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 585126024 LOMXOBNIOJSZBI-NPMABZOXSA-N 341.433 1.765 0 40 EDAB CC(C)[C@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)CCS1 96432255 ANXDTSJJMLKMHX-OAHLLOKOSA-N 331.441 1.997 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2[C@H](CC(=O)NCC3CC3)COC[C@H]2C1 96057167 KFTRWEPSEKHNKG-NUJGCVRESA-N 347.459 1.902 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CCOCC1 96041651 TVIRKXFHVKCZTL-GVDBMIGSSA-N 347.415 1.292 0 40 EDAB O=C(N[C@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12)c1ccno1 96186893 FPRDKPYNLJNQJC-GZBFAFLISA-N 333.413 1.898 0 40 EDAB Cc1ccoc1C(=O)N1Cc2nccn2C[C@H](CN2CCCC2=O)C1 96188450 FJDHKYBFJNQUPF-CQSZACIVSA-N 342.399 1.679 0 40 EDAB O=C1N(c2cncnc2)CC[C@]12CCCN(c1ncc(F)cn1)C2 96074048 BADLYMKJHIYAMA-INIZCTEOSA-N 328.351 1.429 0 40 EDAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 249315807 NXRYLHIDWULZRT-HOTGVXAUSA-N 344.411 1.589 0 40 EDAB Cn1ncc(Cn2cc(C(=O)O)ccc2=O)c1NC(=O)C1CCCC1 257265630 LZOSDXOEQVJAPL-UHFFFAOYSA-N 344.371 1.457 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)n1 257296426 RCUWAYUAMQFNMS-AWEZNQCLSA-N 330.392 1.095 0 40 EDAB CN(C)Cc1nccnc1C1CCN(C(=O)C2CCOCC2)CC1 257241104 HWQCXWFXQQVPFX-UHFFFAOYSA-N 332.448 1.671 0 40 EDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(N)C(=O)O)cc1 252515743 NBYQJVWOPYSNOZ-VYDXJSESSA-N 331.393 1.717 0 40 EDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2ccn(C)n2)n1 257323116 WIVCBCNMTRPWGV-INIZCTEOSA-N 327.388 1.429 0 40 EDAB CCOc1cccc(S(=O)(=O)N(C)C[C@@H](O)C(F)(F)F)c1 252481493 CNBOAOFUAZAUAJ-LLVKDONJSA-N 327.324 1.629 0 40 EDAB CN(C(=O)COc1cccc2c1OC(C)(C)C2)[C@@H]1CC[C@@H](O)[C@@H]1O 257288680 PVDNMHJJTRUEIC-XJKCOSOUSA-N 335.400 1.122 0 40 EDAB O=S(=O)(c1cccs1)N1CCC(Oc2ncccn2)CC1 85471770 USBTUJYYMWGMHS-UHFFFAOYSA-N 325.415 1.770 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)CCOc3ccccc3)CCO2)n1 257307314 SYDTZQDTNCMOTC-HNNXBMFYSA-N 343.383 1.860 0 40 EDAB CN(C)c1ccc(C(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)cc1 253395063 WMDOFDSHIASQEN-CQSZACIVSA-N 326.400 1.134 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3ncccn3)C2)s1 257244384 ILAUQZKQJDAKKY-MRXNPFEDSA-N 332.429 1.560 0 40 EDAB Cc1cc(N2CC[C@@](O)(CNC(=O)c3sc(C)nc3C)C2)ncn1 257340846 ZHTDVNIZLRSJCP-MRXNPFEDSA-N 347.444 1.230 0 40 EDAB O=S(=O)(C[C@H]1CCCCO1)Nc1ccc(F)c(-c2nc[nH]n2)c1 279368480 LIALFVWKWMUDCJ-LLVKDONJSA-N 340.380 1.922 0 40 EDAB CCc1nocc1CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1615056498 ZLZQBZRWSSOMOX-KBPBESRZSA-N 325.409 1.697 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2CCc3nnc(O)n3C2)cs1 1615590907 QYYGNOINJDGKDK-CMPLNLGQSA-N 333.417 1.675 0 40 EDAB CO[C@@]1(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)CCSC1 96097729 WQKBVKJKCYLERM-OAHLLOKOSA-N 326.393 1.711 0 40 EDAB COc1ccccc1N1CC[C@H](N2CCc3cnn(C)c3C2)C1=O 585141232 RNSRXKXEMIZIPO-HNNXBMFYSA-N 326.400 1.592 0 40 EDAB Cc1cc(=O)n(C)cc1NS(=O)(=O)c1cncc(OC(C)C)c1 585140538 GRDNYUYJROJJTB-UHFFFAOYSA-N 337.401 1.677 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccc(OC)cc1)C2 585103205 NDXUKINIIQVEGC-HNNXBMFYSA-N 339.457 1.721 0 40 EDAB Cc1cccc(NC(=O)[C@H]2CSCN2S(=O)(=O)N(C)C)c1C 69810924 JJJPKTPZXSDEMW-CYBMUJFWSA-N 343.474 1.423 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1nnnn1-c1ccccc1 69947216 ANNUQIPTQZRLMW-IRXDYDNUSA-N 340.431 1.638 0 40 EDAB O=C(CCN1CCC[C@@H](O)C1)N1CCN(c2ccc(F)cc2)CC1 45735087 BIVUZPZKZKMHGO-QGZVFWFLSA-N 335.423 1.321 0 40 EDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1cc2ccccc2o1 46051534 YZZKQJBOMJHOCT-HOTGVXAUSA-N 344.411 1.900 0 40 EDAB CN(C)c1ncccc1CNC(=O)NC[C@@H](c1ccco1)N(C)C 47792174 XLPCDRXGWUACAN-AWEZNQCLSA-N 331.420 1.843 0 40 EDAB O=C(N[C@H]1COc2ccccc2C1)c1cccc(N2CCNC2=O)c1 53046817 NGKIBIZZMAGLAM-OAHLLOKOSA-N 337.379 1.950 0 40 EDAB O=S(=O)(NCc1nc(C2CC2)no1)N1CCC[C@H]1c1ccco1 84432416 BNIXKSLKONZCSP-NSHDSACASA-N 338.389 1.712 0 40 EDAB CS(=O)(=O)C1CCN(C(=O)CSCc2ccccc2)CC1 96098191 NMEUGOFKIYISJH-UHFFFAOYSA-N 327.471 1.955 0 40 EDAB O=C(Nc1ccc2nccn2c1)N1CCC2(CC1)C[C@H](O)CCO2 1548453625 DFUNWUXBDNFABX-CQSZACIVSA-N 330.388 1.872 0 40 EDAB COC(=O)C1=NN(C(=O)c2cccc(Br)c2)[C@](C)(O)C1 5534750 NLFXVWUUEPHBDH-CYBMUJFWSA-N 341.161 1.533 0 40 EDAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 11566128 QUODXUXBTLWTPJ-UHFFFAOYSA-N 346.836 1.592 0 40 EDAB C[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)NC[C@H]1CCCO1 11669751 WZKMTNPCMJUFTI-NXEZZACHSA-N 337.405 1.028 0 40 EDAB CCc1cc(C(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)on1 12406481 BEDRGZCSWNTYSM-JTQLQIEISA-N 331.376 1.428 0 40 EDAB O=C(NCCCN1CCOCC1)Nc1c[nH]c2c(F)cccc2c1=O 13565896 YZDMHHAOXZDXBG-UHFFFAOYSA-N 348.378 1.511 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3S2)cc1 14267597 HIEVUFPLOPDIPF-HNNXBMFYSA-N 348.449 1.667 0 40 EDAB Cc1cnc(NC(=O)CCNS(=O)(=O)c2c(C)noc2C)s1 10625779 OSWKLSNRLFTJJH-UHFFFAOYSA-N 344.418 1.363 0 40 EDAB Cn1ccnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)c1=O 1888842835 LGDCBRGQZVYODR-UHFFFAOYSA-N 326.278 1.462 0 40 EDAB CN(C)C(=O)N1CCC(CNC(=O)c2cccc3c2OCCO3)CC1 1888888088 YYEMVRKDHHYRLI-UHFFFAOYSA-N 347.415 1.581 0 40 EDAB CC(C)c1nccc(N2CCN(c3cc(N(C)C)ncn3)CC2)n1 1889090942 PQWVGQROVAQUHO-UHFFFAOYSA-N 327.436 1.783 0 40 EDAB COc1cccc(OC)c1CN1CC[C@@H]2OCC(=O)N(C)C[C@H]2C1 2037983786 FYIOORJHHIGLEA-ZFWWWQNUSA-N 334.416 1.383 0 40 EDAB O=C(Nc1cccnc1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2cc[nH]n2)O1 1565546963 CJKCMWLJMYUKHK-RBSFLKMASA-N 341.371 1.206 0 40 EDAB COCCN1CCC(CNS(=O)(=O)Cc2ccc(F)cc2)CC1 22999883 MJKYDUWYDCFPNI-UHFFFAOYSA-N 344.452 1.604 0 40 EDAB Cc1ccccc1OCC(=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966037 PWSFMCXVYQPOQJ-UHFFFAOYSA-N 344.346 1.178 0 40 EDAB c1cc2nncn2nc1N1CC[C@H](COc2cc3c(nn2)CCC3)C1 2086866051 LNQSLSAYSSKLFH-LBPRGKRZSA-N 337.387 1.308 0 40 EDAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccno1 206793190 ZROOHHNSQBYPPN-ZYHUDNBSSA-N 334.303 1.649 0 40 EDAB CCc1nsc(N2CCCN(c3ncnc4[nH]cnc34)CC2)n1 96436798 QSTGJJNFMKVVCA-UHFFFAOYSA-N 330.421 1.484 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H](C)N2CCOCC2)cc1Cl 30338044 KEWHMYRJJWBCCD-NSHDSACASA-N 348.852 1.348 0 40 EDAB O=C(NCc1ccncc1)[C@@H]1CSCN1C(=O)c1ccccc1 40157380 PRKOTWYUHHJONY-HNNXBMFYSA-N 327.409 1.913 0 40 EDAB Cc1ncc2c(n1)CN(CC(=O)/N=c1\cc[nH]n1[C@H](C)C1CC1)CC2 100883449 HEPVKXFZHRFAEC-GOLNUVQQSA-N 340.431 1.371 0 40 EDAB CN(CC(=O)N[C@H]1CCCCNC1=O)Cc1nc2ccccc2s1 40513631 ZACPQNXVKCTVOR-ZDUSSCGKSA-N 346.456 1.513 0 40 EDAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccc(Cl)s1 40505293 TVGGXSWVUGJBJD-RYUDHWBXSA-N 344.864 1.869 0 40 EDAB O=S(=O)(NC1(c2ccc(Cl)cc2)CCC1)N1CCOCC1 51155615 PKTKQYLRCDZKOT-UHFFFAOYSA-N 330.837 1.886 0 40 EDAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NC4CC4)n3)ccc12 20721927 GPKIJQAWTIPUMJ-UHFFFAOYSA-N 341.323 1.956 0 40 EDAB biogenic COC(=O)C1(NC(=O)[C@H]2CCCN(c3ncccn3)C2)CCCCC1 32453404 BZCJYAJOOJZFHK-AWEZNQCLSA-N 346.431 1.685 0 40 EDAB Cc1cccc(-n2c(SCCC(N)=O)nnc2N2CCOCC2)c1 21494232 MEQOPRPWNFIMCT-UHFFFAOYSA-N 347.444 1.380 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](c1ccccc1)c1nccn1C 32848034 CKAOBPQRIKJKLQ-CQSZACIVSA-N 345.428 1.828 0 40 EDAB CCc1ccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)cc1 32810173 OREMYWLPPHRSID-UHFFFAOYSA-N 327.384 1.765 0 40 EDAB COCC[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)O 52784929 MQIKJDZKLKRUPD-SNVBAGLBSA-N 336.171 1.978 0 40 EDAB O=C(CN(CCO)CCO)N(C1CCCCC1)C1CCCCC1 251383 IGVIXCJXXKYZAD-UHFFFAOYSA-N 326.481 1.767 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCC(c2nnc3n2CCC3)CC1 47267816 MBGDSGXFNRFSTL-UHFFFAOYSA-N 341.481 1.380 0 40 EDAB O=C(CS(=O)(=O)c1ncccc1Br)N1CCCCC1 77647953 GPWYXRZDHGTHJW-UHFFFAOYSA-N 347.234 1.630 0 40 EDAB CN(C)C(=O)CCCn1ccc(Nc2cnn(C)c(=O)c2Cl)n1 78265579 IUNITTDFUURSHQ-UHFFFAOYSA-N 338.799 1.242 0 40 EDAB COC1CCN(C(=O)COc2ccc(N3CCCC3=O)cc2)CC1 53886310 UMRXULKZOJEUEO-UHFFFAOYSA-N 332.400 1.830 0 40 EDAB CCn1c(=O)n(Cc2ccc(S(=O)(=O)N(C)C)o2)c2ccccc21 54180549 GOZOOMAQIILZQY-UHFFFAOYSA-N 349.412 1.715 0 40 EDAB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)S(=O)(=O)c1ccccn1 47620805 ZNAYHTLDTLCUBQ-OCCSQVGLSA-N 346.408 1.884 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 6305656 FDOWKVAJEGPZLP-VMUDFCTBSA-N 347.754 1.716 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 24096854 KRNPQSDNNAKWCO-BLLLJJGKSA-N 336.413 1.162 0 40 EDAB O=C(c1ccccn1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24178306 LBNPKTXHENDFFI-UHFFFAOYSA-N 339.395 1.811 0 40 EDAB C[C@@H](C(=O)NC(C)(C)C)N1CCN(CC(=O)Nc2ccccc2)CC1 24249584 DCEYTJCPVJQWRS-HNNXBMFYSA-N 346.475 1.546 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(C(=O)O)cc1 106150907 WOCYZUXJQGVZAD-GVARAGBVSA-N 342.351 1.354 0 40 EDAB Cc1cccc(NC(=O)[C@H]2CCCN(CC(=O)N[C@H](C)C3CC3)C2)n1 106519015 DFYOCYQCRNLUNT-ZBFHGGJFSA-N 344.459 1.955 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1OC 8475974 WUIPDMAIISCLAH-UHFFFAOYSA-N 326.418 1.666 0 40 EDAB CN1CCC[C@@H](CNC(=O)N2CCNC(=O)C2)[C@H]1c1cccs1 107356277 DUYQEYXDDDHEQG-WFASDCNBSA-N 336.461 1.272 0 40 EDAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCN(c2cnccn2)CC1 25834961 JJPTZDGVUFOSBO-ONEGZZNKSA-N 346.822 1.534 0 40 EDAB Cc1cc(C(=O)NCCn2nc3ccccn3c2=O)nn1C(C)(C)C 57240749 KZNHBVIHJXVJRZ-UHFFFAOYSA-N 342.403 1.186 0 40 EDAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@@H]1CCCO1 44255675 IOHAPAIZASGVSO-VIFPVBQESA-N 337.767 1.233 0 40 EDAB C[C@H](C[S@](C)=O)NC(=O)[C@H](c1ccccc1F)N1CCOCC1 108391365 CMDIRBJYYYIFIJ-XLNZQSRMSA-N 342.436 1.082 0 40 EDAB CNC(=O)c1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CC2)cc1 97123966 NZMIQWOAPSJCFC-CYBMUJFWSA-N 333.413 1.296 0 40 EDAB CC(=O)c1ccc(NC(=O)NCCn2nc3ccccn3c2=O)cc1 58061587 AUFXENIFEDDMMT-UHFFFAOYSA-N 339.355 1.520 0 40 EDAB O=C(Cc1ccc(F)cc1)NC[C@@H](O)COc1ccc2c(c1)OCO2 58166255 RQJUGFHUWGPXLQ-CQSZACIVSA-N 347.342 1.653 0 40 EDAB CCOC(=O)C1=C(CNCc2ccccc2OC)NC(=O)N[C@H]1C 58121281 WTSNBRSHQSWASQ-NSHDSACASA-N 333.388 1.303 0 40 EDAB Cc1cc(C(=O)NCCn2ncc3c2c(C)nn3C(C)C)n(C)n1 57279706 YEWQBJLXWRFBOT-UHFFFAOYSA-N 329.408 1.594 0 40 EDAB CC(C)Oc1ccccc1CC(=O)N1CCC2(CC1)NC(=O)NC2=O 58298367 QIPPEXOBGSXGOR-UHFFFAOYSA-N 345.399 1.217 0 40 EDAB CN(Cc1ccccc1N1CCOCC1)C[C@@H](O)Cn1cccn1 44975031 GGJZSTRVQMCMDA-QGZVFWFLSA-N 330.432 1.213 0 40 EDAB O=C1CC[C@@H](C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CN1 58306699 CJCVPMCABRVNTA-CHWSQXEVSA-N 335.835 1.809 0 40 EDAB Cc1ccc(OC[C@H](O)CN2CCN(C(=O)C3CC3)CC2)c(C)c1 58401702 MTBAQTYCLHMUKP-QGZVFWFLSA-N 332.444 1.597 0 40 EDAB NS(=O)(=O)N1CCc2ccc(NC(=O)CCc3ccco3)cc21 58551615 KZYSSZCMBOYLLX-UHFFFAOYSA-N 335.385 1.417 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCCO1 28326867 IOXJJSHFNKJZJH-WCQYABFASA-N 327.402 1.694 0 40 EDAB CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccn(C)n2)ccc1Cl 12733418 HIAQYLMVGGTALC-UHFFFAOYSA-N 342.808 1.576 0 40 EDAB Cc1ccc(OCCN2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1 72300710 XYOVAHFLZYLPCT-KBXCAEBGSA-N 331.416 1.684 0 40 EDAB Cc1cc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)[nH]n1 55408938 NDJBZUXOEDAQSN-UHFFFAOYSA-N 333.436 1.955 0 40 EDAB CS(=O)(=O)c1ccc([C@H](O)CN2CCC(c3cn[nH]c3)CC2)cc1 97203365 RZCMIWCBFVKRJN-QGZVFWFLSA-N 349.456 1.726 0 40 EDAB CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1=O 11518132 GOQBVWYVCMUBAQ-SNVBAGLBSA-N 335.335 1.156 0 40 EDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1C 45896063 COVSCJGRCQNUDP-CQSZACIVSA-N 329.360 1.460 0 40 EDAB O=C1CN(NC(=O)CC2c3ccccc3Oc3ccccc32)C(=O)N1 29860299 LSBIJVOACQXKPO-UHFFFAOYSA-N 337.335 1.897 0 40 EDAB O=C(CCNC(=O)c1ccco1)Nc1ccc(N2CCOCC2)cc1 2654388 PMEMDVUEWXPMNT-UHFFFAOYSA-N 343.383 1.875 0 40 EDAB Cc1ccc2ncc(C(=O)NC3(c4ncon4)CCOCC3)n2c1 97378201 JYDJBVYSPXWCHL-UHFFFAOYSA-N 327.344 1.461 0 40 EDAB CCCNC(=O)CSc1nnc(SCC(=O)NCCC)s1 3575653 PZACJJGDBILPRA-UHFFFAOYSA-N 348.519 1.775 0 40 EDAB C[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1F 12994343 TZTAPCGMALFNBU-LJJSCBMDSA-N 349.337 1.253 0 40 EDAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CNC(=O)[C@@H]2C[C@@H]2C)c(C)c1 12934760 NKZQZQDCESWNCM-SWLSCSKDSA-N 345.443 1.781 0 40 EDAB CCOC(=O)c1nc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)sc1C 71280604 HHQYCDDZOQZUKE-HTQZYQBOSA-N 326.374 1.924 0 40 EDAB C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 22539823 LINDEKMMSGHRMS-NSHDSACASA-N 328.409 1.675 0 40 EDAB C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(S(C)(=O)=O)s1 13550822 IEQMBCVTAWEROE-SSDOTTSWSA-N 345.377 1.487 0 40 EDAB CC(=O)N1CCCN([C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 110567574 KKPNXILIVVSPCJ-SSGTUYFUSA-N 335.492 1.870 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCOC[C@H]2c2noc(C)n2)cc1 96000555 KOSGFEHIEDIHOL-AWEZNQCLSA-N 337.401 1.703 0 40 EDAB COc1ccc(Nc2nc(N3CCOCC3)c3cnn(C)c3n2)cc1 4272789 SZLYJSFLMIJJPB-UHFFFAOYSA-N 340.387 1.952 0 40 EDAB Cc1nn(CCO)cc1CCCNCc1c(C)nn(C)c1N(C)C 65479711 FESDJOPPLLRTFL-UHFFFAOYSA-N 334.468 1.014 0 40 EDAB COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nccn1C 5358707 PIDAZXMMWZPTQL-UHFFFAOYSA-N 341.414 1.929 0 40 EDAB NC(=O)c1ccc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)cc1 14237090 WHAFYCUDONHFQA-INIZCTEOSA-N 338.363 1.962 0 40 EDAB CCCCOc1ccc(C(=O)NCC(=O)NC[C@H](O)C2CC2)cc1 84746699 APFYGOKXHOLVFV-INIZCTEOSA-N 334.416 1.482 0 40 EDAB COc1cccc(OC)c1OCCOCCNC[C@H]1CCCO1 4827254 DISBEBBZWMXSNF-CQSZACIVSA-N 325.405 1.868 0 40 EDAB O=C(NCCCn1cnc2ccccc21)c1cccc(-n2cnnn2)c1 9516605 RKBASNHQEQCHEB-UHFFFAOYSA-N 347.382 1.832 0 40 EDAB O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)N1CCCC1 15858206 TWPICCNBRNABOA-UHFFFAOYSA-N 342.804 1.643 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc2)n1 9515627 BXESSQJQVUPTBH-KRWDZBQOSA-N 347.440 1.796 0 40 EDAB NS(=O)(=O)N1CCN(C(=O)CCc2ccc3ccccc3c2)CC1 71896125 PMUPCNCCRMTIMH-UHFFFAOYSA-N 347.440 1.120 0 40 EDAB O=C(C[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O)N1CCSCC1 71813660 QGIDMDHPUIFCPJ-LBPRGKRZSA-N 337.376 1.216 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2CCCS(=O)(=O)N(C)C)n1 71876122 MVFQMWIHIFERFH-OAHLLOKOSA-N 328.482 1.246 0 40 EDAB O=C(Cn1cccn1)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 71862882 AYLNHYHOBADCGJ-INIZCTEOSA-N 348.834 1.726 0 40 EDAB CC(=O)c1c[nH]c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 8258356 KBKHTSQDLQYRFX-UHFFFAOYSA-N 344.323 1.419 0 40 EDAB Cc1cnn(CCN[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)c1 70006402 FIDKIQDOLFUHKP-HUUCEWRRSA-N 344.415 1.126 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cc(C)ccc2OC)CC1 70017296 WTMIGKLIXQIKTC-HNNXBMFYSA-N 336.432 1.159 0 40 EDAB Cc1c(C)n(C[C@H](O)CN2CCN(CCO)CC2)c2ccccc12 19973631 XFEOYDJUGMDZNQ-QGZVFWFLSA-N 331.460 1.229 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)c1 8380052 SDADQMYIQRNNHK-CABCVRRESA-N 336.457 1.792 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1ccc(OC[C@@H]3CCCO3)cc1)C2 69458858 QITSAMKNXPJYDN-INIZCTEOSA-N 342.399 1.800 0 40 EDAB NC(=O)CN1CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1 69441852 PNQLQCQTZMYNIS-UHFFFAOYSA-N 347.434 1.657 0 40 EDAB C[C@H]1C[C@H](C)CN(CCNC(=O)c2ccc(N3CCCC3)nn2)C1 69441524 GYLIGNWZILIJNG-GJZGRUSLSA-N 331.464 1.785 0 40 EDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)NCc1ccccc1 96514046 URVZSNXSSJNRFW-OVCLIPMQSA-N 334.397 1.283 0 40 EDAB CN(C)C(=O)CNC(=O)c1nccnc1-c1nc2ccccc2s1 8402424 SPNMFAYTXJBSOR-UHFFFAOYSA-N 341.396 1.571 0 40 EDAB Cn1cc([C@@H]2[C@@H](C(=O)O)CC(=O)N2CCOc2ccccc2)cn1 69567474 UDUKGODZFNTHIU-GOEBONIOSA-N 329.356 1.473 0 40 EDAB CC(C)C(=O)N1CCC(NC(=O)Cn2ncc3ccccc32)CC1 69698358 KOMDTYIRGNJHCE-UHFFFAOYSA-N 328.416 1.800 0 40 EDAB O=C(c1cnc2ccccn2c1=O)N1CCCC[C@@H]1Cn1cccn1 69659411 GWVQIGFQAXYSMS-CQSZACIVSA-N 337.383 1.586 0 40 EDAB NC(=O)Nc1cccc(C(=O)OCc2nnnn2-c2ccccc2)c1 17727915 LGOIWBWZDFNRDT-UHFFFAOYSA-N 338.327 1.510 0 40 EDAB C[C@@H]1Cc2cc(C(=O)NCCc3ccco3)ccc2N1S(C)(=O)=O 17910264 RQASDNPNOLXGFB-GFCCVEGCSA-N 348.424 1.963 0 40 EDAB CC(=O)N1CCC(CN2CCN(C[C@H](O)C(C)(C)C)CC2)CC1 69870853 MXYOWGQLFSISOB-KRWDZBQOSA-N 325.497 1.270 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c(C)c1 95457681 AQSPPIPUIYKFMP-BBRMVZONSA-N 341.429 1.620 0 40 EDAB CCOC(=O)Cn1cc(/C=C2/NC(=O)N(C)C2=O)c2ccccc21 409196501 ZUDROBQRZZCUTF-MDWZMJQESA-N 327.340 1.727 0 40 EDAB CN(C)C(=O)CCC[S@](=O)CC(=O)Nc1ccc(Cl)cc1 95413713 FERGPZKZHYUTHR-OAQYLSRUSA-N 330.837 1.896 0 40 EDAB C[C@@H](O)CN1CCC(CN(C)Cc2nc(-c3cccnc3)no2)CC1 72267446 ZMKDPYFKORHSGH-CQSZACIVSA-N 345.447 1.656 0 40 EDAB CN(CC(=O)N[C@@H](C(N)=O)c1ccc(Cl)cc1)C(=O)c1ccco1 72294692 RNOVTCGCVZUSDB-CQSZACIVSA-N 349.774 1.348 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)c3cnc(C)nc3CC)CCO2)n1 89280363 KPHVWJZPJXBLHB-CYBMUJFWSA-N 330.392 1.242 0 40 EDAB Cc1cc2ncc(S(C)(=O)=O)c(NC(=O)C3CCCCC3)n2n1 75146095 UKYIDETWUZGCOI-UHFFFAOYSA-N 336.417 1.960 0 40 EDAB Cc1cnc(CN2CCC[C@H]([C@@]3(C)NC(=O)N(C(C)C)C3=O)C2)cn1 89702251 MKZVPOPAHNQQEN-KBXCAEBGSA-N 345.447 1.716 0 40 EDAB CC[C@H](C)[C@H](NC(=O)c1cc(F)ccc1-n1cnnn1)C(=O)OC 20744720 YRNGHVJFVLUYJP-ZANVPECISA-N 335.339 1.119 0 40 EDAB CN(Cc1nccn1C(F)F)C(=O)c1ccc(S(C)(=O)=O)cc1 29181964 QXNHOTNLHXXGFM-UHFFFAOYSA-N 343.355 1.954 0 40 EDAB Cc1nc(C(=O)N[C@H]2CCN(c3ccccc3F)C2)c(=O)[nH]c1C 553962613 ZBJBOKDYWHWEPL-LBPRGKRZSA-N 330.363 1.535 0 40 EDAB COc1ccc(CC(=O)N2CCn3nncc3C2)cc1OC(F)F 529512055 IYNDECIJYQIWMM-UHFFFAOYSA-N 338.314 1.473 0 40 EDAB COc1cc(C)c(C)cc1S(=O)(=O)NCC1(O)CCOCC1 70638952 ALVYMMUTUMNUHE-UHFFFAOYSA-N 329.418 1.132 0 40 EDAB NCC1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218453778 IEPPVTRWAMIYKW-CVEARBPZSA-N 334.416 1.669 0 40 EDAB O=S(=O)(Cc1nc(C2CC2)n[nH]1)c1ccc(Br)cn1 125073275 AYYIKDFWKVGZIJ-UHFFFAOYSA-N 343.206 1.814 0 40 EDAB CCC[C@H](NC(=O)OC(C)(C)C)[C@H](OC(C)=O)C(=O)NC1CC1 71973235 UMBJIHSHCLDUFA-STQMWFEESA-N 328.409 1.890 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2cccnc2)[C@H]1c1ccccc1 72237994 ONYIZJNBFFNHMT-IAGOWNOFSA-N 325.368 1.296 0 40 EDAB O=C(COCc1nc(-c2ccncc2)no1)NCc1cccnc1 74455442 XXSPFDBURHAQAT-UHFFFAOYSA-N 325.328 1.360 0 40 EDAB Cc1cc(NC(=O)CN(C)[C@@H](C)c2nnnn2-c2ccccc2)no1 72514915 ZDZQMWMEJYRDEN-LBPRGKRZSA-N 341.375 1.590 0 40 EDAB CCn1nc(C)c(CNS(=O)(=O)c2ccccc2C(=O)O)c1C 563955300 WXYDAURZCCYYKY-UHFFFAOYSA-N 337.401 1.697 0 40 EDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 44285028 XODOIWXSZRQPIO-AWEZNQCLSA-N 333.432 1.506 0 40 EDAB CC(C)c1ccc(C(=O)N2CCN([C@@H](C)c3nnnn3C)CC2)cc1 225544229 WUFYZFAFQHBPTJ-AWEZNQCLSA-N 342.447 1.853 0 40 EDAB O=S(=O)(Nc1ccc(N2CCOCC2)cn1)c1cccc(F)c1 69585224 DHODUVUEKMAMFH-UHFFFAOYSA-N 337.376 1.858 0 40 EDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nccs1 85431182 MVDMCTPUMYGDGN-SNVBAGLBSA-N 340.430 1.568 0 40 EDAB O=C(NCc1ccc(C2CC2)cc1F)[C@@H]1CCc2nnnn2CC1 573732832 WOQLBGBMBOWDBG-GFCCVEGCSA-N 329.379 1.959 0 40 EDAB CSc1ccc(N2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)cc1 43613511 LXFXXDDPPITSBK-ZDUSSCGKSA-N 344.440 1.774 0 40 EDAB COCCN1CCCN(C(=O)c2ccncc2C(F)(F)F)CC1=O 194561820 AJAVWAFOUUCPDR-UHFFFAOYSA-N 345.321 1.421 0 40 EDAB O=C([C@@H]1CCCO1)N1CCOC[C@]2(CCN(Cc3cccnc3)C2)C1 96202112 PSNZATOQYRJKKT-HKUYNNGSSA-N 345.443 1.312 0 40 EDAB COC[C@H]1COCCC12CCN(S(=O)(=O)c1cccnc1)CC2 96106311 LHQLQTIYLTUTLL-AWEZNQCLSA-N 340.445 1.535 0 40 EDAB COc1ccccc1C(=O)NCc1nc(C)cc(N2CCOCC2)n1 96120895 LOYOSBDZZBVVFK-UHFFFAOYSA-N 342.399 1.560 0 40 EDAB CC(C)CN1CCN(C)C(=O)C12CCN(C(=O)c1cccnc1)CC2 96230266 OHDUKHUIIRCUND-UHFFFAOYSA-N 344.459 1.486 0 40 EDAB Cc1cccc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)n1 96255683 MGDNPPGCCWUDBQ-UHFFFAOYSA-N 338.459 1.537 0 40 EDAB Cc1cc(OC[C@H]2CO[C@@H]3CN(Cc4ncc[nH]4)C[C@@H]32)cc(C)n1 96219071 XCCNTSHBGZCCPA-USXIJHARSA-N 328.416 1.947 0 40 EDAB O=C(c1ncccn1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 96109066 LEXYMWJXFCXRBM-DYVFJYSZSA-N 326.356 1.039 0 40 EDAB CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)c2noc3c2CCCCC3)C1 580105392 SXHQGOKPTOBVSI-YPMHNXCESA-N 345.403 1.674 0 40 EDAB O=C(c1ccncn1)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 96042253 ABAZKLLTVZDJPH-YESZJQIVSA-N 340.383 1.460 0 40 EDAB O=C(NCCc1ccc(F)c(F)c1F)C1CCS(=O)(=O)CC1 330831986 JMLYVMWHCFIZJC-UHFFFAOYSA-N 335.347 1.587 0 40 EDAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NC[C@H](O)C1CCCC1 96436633 RXQSRIGKQBKSDU-MOPGFXCFSA-N 346.471 1.945 0 40 EDAB O=C(N1CCCC1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 96062495 HDJKCHXAFSAXMZ-SFHVURJKSA-N 330.432 1.826 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)CNc2ccccc2CC(F)(F)F)C1 96461165 PZTXRJCRXVSARA-LBPRGKRZSA-N 343.349 1.927 0 40 EDAB CCc1ccc(CN2CCc3c(CNS(C)(=O)=O)cncc3C2)o1 96189477 VSMWEPVVZZNVPF-UHFFFAOYSA-N 349.456 1.845 0 40 EDAB Fc1cnc(N2CCC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)nc1 96222552 LUTZCIJPDNDECI-CJNGLKHVSA-N 331.351 1.613 0 40 EDAB C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1Cc1nccs1 96062011 VPFAIGPPTBHOGK-AWEZNQCLSA-N 346.504 1.664 0 40 EDAB CC(C)NC(=O)[C@H]1C[C@@H]2CN(C(=O)NCc3cccc(F)c3)C[C@H]1O2 96252876 ZGWCVRNOYJDMHT-OWCLPIDISA-N 349.406 1.649 0 40 EDAB CO[C@@]1(C(=O)NCc2ccc(N=c3cc[nH]cc3)cc2)CCOC1 585130814 CQLCHUVYXAZYMW-SFHVURJKSA-N 327.384 1.669 0 40 EDAB CO[C@@H]1C[C@@H](c2nc[nH]n2)N(c2nccc3nc(SC)ncc23)C1 585118638 WVBOPDQMUMSPIZ-SKDRFNHKSA-N 343.416 1.831 0 40 EDAB CCOCCS(=O)(=O)N(C)[C@@H](c1ccc(F)cc1)c1ncc[nH]1 585114936 FYFWDAYHIJENGH-AWEZNQCLSA-N 341.408 1.936 0 40 EDAB Cc1cccc(C(=O)N2CC[C@]3(COCc4cncnc43)C2)c1O 248112021 YIXHDDMMCKASJI-GOSISDBHSA-N 325.368 1.805 0 40 EDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(N)CO)cc1 252513863 ALWJDKVZIBLYRE-IKGGRYGDSA-N 333.409 1.325 0 40 EDAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2F)n1 604382219 LHMPQCKHZWTQGB-PSBWJHGTSA-N 345.418 1.614 0 40 EDAB biogenic,in-vitro COCc1c(C(=O)N2CCO[C@@H](c3cccc(N)n3)C2)noc1C 257320031 VVBHXHFEHOUCGZ-CYBMUJFWSA-N 332.360 1.320 0 40 EDAB CCS(=O)(=O)c1cccc(S(=O)(=O)N(C)c2cnccn2)c1 252510498 ZMCCQYDRAAYPCK-UHFFFAOYSA-N 341.414 1.095 0 40 EDAB COc1ccc(S(=O)(=O)N2CCOC[C@H]2c2nc(C)c[nH]2)cc1 257286904 PNOYZNPMJXKAOL-AWEZNQCLSA-N 337.401 1.489 0 40 EDAB CCc1noc(C)c1C(=O)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257201326 AHENPCPBARMVPM-ZDUSSCGKSA-N 346.387 1.515 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(C)[C@@H](c2ccc(OC)cc2)C1 257311682 UKPJAFZLCQCZDS-MRXNPFEDSA-N 341.477 1.570 0 40 EDAB O=C(CCc1cccs1)NC[C@@]1(O)CCN(c2ccccn2)C1 257278310 OBSXDNFSAQESER-KRWDZBQOSA-N 331.441 1.833 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 257251970 JTBWKAHMYDYYOF-CQSZACIVSA-N 339.355 1.581 0 40 EDAB CCc1nccn1CC(=O)N1CCO[C@@H](c2cc(C)nc(C)n2)C1 257228665 FUUJCZZAAUGYRO-OAHLLOKOSA-N 329.404 1.452 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CC[C@](O)(CN2CCCC2)C1 257314224 UVXVEHBCQDHGFM-IBGZPJMESA-N 342.443 1.555 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCN2S(=O)(=O)N(C)C 257264840 LWFGWZNPEMFRBQ-ULQDDVLXSA-N 337.489 1.745 0 40 EDAB C[C@@]12C[C@H](CNC(=O)Cn3cc(Cl)cn3)N[C@@H]1CCCC[C@@H]2O 257331438 XSVLQWVCBRZFCZ-HGTKMLMNSA-N 340.855 1.324 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)c1cnco1)CC[C@H]2O 257205995 BBKOVSOZUGGPRW-LHHMISFZSA-N 341.411 1.595 0 40 EDAB CCN1CCN(C(=O)c2cncc(C[C@H]3CCCN(C)C3)c2)CC1 257308816 TYFJTNFERYQPLP-MRXNPFEDSA-N 330.476 1.744 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3COc4ccccc4O3)CCO2)n1 266112535 NDUIVQSBPWPFPQ-UONOGXRCSA-N 344.371 1.107 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccn(C(C)C)n3)CCO2)n1 264876336 HKFAAFBWKHROIN-OAHLLOKOSA-N 331.420 1.819 0 40 EDAB COCCNC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678745 LIBZYIHKCLRILQ-UHFFFAOYSA-N 330.388 1.829 0 40 EDAB FC(F)(F)c1cc(N2CCN(c3ccc4nncn4n3)CC2)ccn1 283875535 UZACPIDLLCGAIM-UHFFFAOYSA-N 349.320 1.865 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C2CCC2)CC1 71873328 WYSKWARSUACWHY-UHFFFAOYSA-N 343.493 1.440 0 40 EDAB O=C(Cc1c[nH]c2cnccc12)N[C@@H]1C[C@@H](NCCO)C12CCC2 1078702988 JBUDMIQADORVIB-HZPDHXFCSA-N 328.416 1.115 0 40 EDAB Cc1ccc(CC(=O)N2CCN(c3cc(O)nc(O)n3)CC2)cc1 1775995376 RIMPYSSBBFBOQQ-UHFFFAOYSA-N 328.372 1.088 0 40 EDAB Cn1cnc(N2CCC(COc3cc4c(nn3)CCC4)CC2)cc1=O 1775985881 FZQSXXITQDBGCO-UHFFFAOYSA-N 341.415 1.354 0 40 EDAB CCCn1nc(C(=O)N2CCC(c3nc(C)no3)CC2)ccc1=O 54665401 LTXGSGBAOMYPAC-UHFFFAOYSA-N 331.376 1.365 0 40 EDAB O=C(NCCN1CCCC1)c1ccc(=O)n(Cc2ccccc2)n1 52851774 XEHPGOZCQYCKIG-UHFFFAOYSA-N 326.400 1.117 0 40 EDAB COc1ccccc1C[C@H]1CCCN1C(=O)CN1CCC(=O)NC1=O 75610468 PVBKWLOGZWXMHX-CQSZACIVSA-N 345.399 1.171 0 40 EDAB COc1ccc(NCc2noc(C(C)(C)C)n2)cc1-n1cnnn1 76061853 KNFBVGPKKJTGNE-UHFFFAOYSA-N 329.364 1.964 0 40 EDAB CCCN(Cc1ccc(C(=O)O)cc1F)[C@H]1CCS(=O)(=O)C1 514608072 HVVABFBWAVTZQN-ZDUSSCGKSA-N 329.393 1.923 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)C3=NN(C)C(=O)CC3)cn2)n1 40510925 OOXMVRTWEBBPKC-UHFFFAOYSA-N 326.360 1.431 0 40 EDAB CN1CCO[C@H](C(=O)N(C)Cc2cc(Br)cn2C)C1 96467255 VPKFUZCGCGWQPY-LBPRGKRZSA-N 330.226 1.077 0 40 EDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 512181 XKVZKEPQGBNCNA-RMKNXTFCSA-N 334.353 1.756 0 40 EDAB O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1NCc1cccc(Cl)c1 1549162779 WIYSUQNSKVSOOY-GVDBMIGSSA-N 348.834 1.727 0 40 EDAB CC(C)NC(=O)Cn1nc(-c2cccs2)n(-c2ccncc2)c1=O 12117422 OWGFOQNKSCNVSM-UHFFFAOYSA-N 343.412 1.682 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1 15911517 ISARCVWYQMWTFX-UHFFFAOYSA-N 345.380 1.194 0 40 EDAB O=c1/c(=C/c2ccc3c(c2)OCO3)sc2nnc(-c3ccco3)n12 1625248 HTWRBHOQZOJEDI-QPEQYQDCSA-N 339.332 1.687 0 40 EDAB Cc1ccc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)c(C)c1 105888924 ZCMMVNCBFACIGF-INIZCTEOSA-N 328.416 1.839 0 40 EDAB COc1cncc(O[C@@H]2CCCN(C(=O)c3csc(C)n3)C2)n1 225496812 RIPIKWDOPZMDPN-LLVKDONJSA-N 334.401 1.934 0 40 EDAB Cn1cnnc1[C@H]1CN(C(=O)Cn2ccc3ccccc32)CCO1 583621903 OYCHLMGPCHRDJC-OAHLLOKOSA-N 325.372 1.370 0 40 EDAB O=C(COC(=O)c1ccccc1NCCO)NCc1cccs1 5278410 INSGVAAPNXCGBE-UHFFFAOYSA-N 334.397 1.626 0 40 EDAB Cc1nc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)no1 1888888331 OKKCACPWBVXNJG-KBPBESRZSA-N 348.428 1.131 0 40 EDAB c1cnc2ncnc(N3CCN(c4ncnc5c4CCC5)CC3)c2c1 1889148958 BWBNABQQOJFQKC-UHFFFAOYSA-N 333.399 1.630 0 40 EDAB O=C(c1ccc(O)nn1)N1CCN(Cc2ccc(Cl)s2)CC1 23640119 UHMTXDGEVVFJSE-UHFFFAOYSA-N 338.820 1.855 0 40 EDAB O=C1NCCN1C(=O)NC[C@](O)(c1ccsc1)c1cccs1 244950836 FNRWHDRYFCGILB-AWEZNQCLSA-N 337.426 1.780 0 40 EDAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCCC1 807102 YGSGPGDYTKILGL-UHFFFAOYSA-N 341.346 1.344 0 40 EDAB COc1cccc(N2C[C@@H](NC(=O)NCc3ccccn3)CC2=O)c1 4272611 XAXOPWCITKWEJT-AWEZNQCLSA-N 340.383 1.695 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@@H]21 2055771812 AKPGQNKHCCBDNS-FVKZJRLBSA-N 326.443 1.254 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(c2nc3ccc(F)cc3s2)C1 641289587 OMFNLPVXWYMQRR-SNVBAGLBSA-N 329.422 1.953 0 40 EDAB CC/C(NC[C@@H]1CCCO1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 101033301 NCJCQBCGSLPJKQ-NPIURYIMSA-N 349.431 1.830 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2)C[C@@H](C)O1 31093635 KCPYUXYDBVRMJR-BETUJISGSA-N 341.433 1.247 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN(C)[C@@H]2CCc3ccccc32)C1=O 40497706 KPVYMRMGKJJNOZ-RDTXWAMCSA-N 344.415 1.357 0 40 EDAB Cc1ccccc1-n1c(=O)[nH]c(O)c([C@H]2NCCc3ccccc32)c1=O 20410430 ONVPXSZGEDZLTI-KRWDZBQOSA-N 349.390 1.775 0 40 EDAB biogenic COc1ccccc1[C@@H](C)NS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 32895544 PYOGNHBQQGHPAF-FRRDWIJNSA-N 328.434 1.700 0 40 EDAB CCCS(=O)(=O)N1CCC(NC(=O)c2cccnc2OC)CC1 32925071 JVXRAILPNSUFQN-UHFFFAOYSA-N 341.433 1.024 0 40 EDAB CN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1cccnc1 33145407 NVHLJSVPGLTIBD-UHFFFAOYSA-N 339.804 1.994 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H]1CCS(=O)(=O)C1 41448402 UPXOUWWOQSKNBS-CYBMUJFWSA-N 334.397 1.496 0 40 EDAB CNC(=O)C1CCN(C(=O)COc2cccc3cccnc23)CC1 42006843 DXDYTLMTOWVWNO-UHFFFAOYSA-N 327.384 1.598 0 40 EDAB CCOC(=O)c1ccc2c(c1)n(CCS(C)(=O)=O)c(=O)n2CC 53794188 DDPXKNTUWIDRPF-UHFFFAOYSA-N 340.401 1.044 0 40 EDAB CCOc1ccc(-c2noc(Cn3cnnc3[S@@](C)=O)n2)cc1 78995999 CLTOPVOTFRWTKO-QHCPKHFHSA-N 333.373 1.513 0 40 EDAB Cc1ccccc1CN1CCN(CC(=O)NCC(F)(F)F)CC1 22818135 HOFNGWPEHDSONW-UHFFFAOYSA-N 329.366 1.791 0 40 EDAB CC[C@H]1COCCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 78966328 DHEVJKNOYMQACE-SFHVURJKSA-N 331.460 1.685 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CCCO1 1077837 XVYDFXMMDQACSZ-CYBMUJFWSA-N 348.384 1.395 0 40 EDAB CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O 4713657 IXSNPCNZNIGQSE-STQMWFEESA-N 343.468 1.942 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H](c1ccccc1)c1ccco1 42872417 VHHAGWFKGHZDII-UKRRQHHQSA-N 334.397 1.855 0 40 EDAB C[C@H](NC(=O)NC[C@H](c1ccco1)N(C)C)c1nnc2ccccn12 43137573 NIHHIGCENQWUGW-QWHCGFSZSA-N 342.403 1.985 0 40 EDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC3CCCC3)[C@H]4C2=O)no1 106021700 IFVLHOGIVFTUQH-OYUZRVEBSA-N 343.383 1.328 0 40 EDAB O=C(NCc1ccccc1-n1ccnc1)c1ccnc(-n2cncn2)c1 55697083 BSDDEIYEGCKYJZ-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB CC(=O)Cc1nsc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)n1 1431313 XBACPTJGMHABPV-NSHDSACASA-N 331.353 1.390 0 40 EDAB CNC(=O)CNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 25602336 LVICWPGAZGXWEW-MRXNPFEDSA-N 338.363 1.617 0 40 EDAB Cc1nn(C)cc1CN1CCC2(CC1)C[C@@H](NC(=O)C1CC1)CCO2 108532709 QPPVINMAWUDSPQ-KRWDZBQOSA-N 346.475 1.768 0 40 EDAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cnn1C 12694992 CUJLUUASVQCFOF-UHFFFAOYSA-N 334.401 1.422 0 40 EDAB O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CCOCC1 48290477 VOMFTWISKVQPIB-UHFFFAOYSA-N 344.458 1.395 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@@H]1CO 97082843 PNUWXTXWRPYJPP-MWLCHTKSSA-N 338.351 1.882 0 40 EDAB O=C(CC1=CCCCC1)N1CCC(N2CCS(=O)(=O)CC2)CC1 97049634 KXGDGOIHVORSDU-UHFFFAOYSA-N 340.489 1.598 0 40 EDAB Cc1cccc(NC(=O)[C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)n1 58141111 MGCXUQKOSMWRFE-GFCCVEGCSA-N 337.387 1.911 0 40 EDAB O=C([C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)N1CCCC1 58195199 RQHMEZTVTBHFMH-OAHLLOKOSA-N 340.420 1.991 0 40 EDAB CC(=O)CS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 27664636 AIKXNTPJVBOCLA-UHFFFAOYSA-N 325.371 1.153 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)NCCc1cccc(Cl)c1Cl 58202085 PINSDQUVIBPPLA-UHFFFAOYSA-N 342.182 1.202 0 40 EDAB O=C(Cc1ccc(F)cc1)NCCNS(=O)(=O)c1cccs1 58210058 MXUGDAXKPOXLAZ-UHFFFAOYSA-N 342.417 1.524 0 40 EDAB COCC(=O)N1CCN(Cc2nc(-c3cccc(OC)c3)no2)CC1 44950688 FTHLKLMYCUTWTK-UHFFFAOYSA-N 346.387 1.036 0 40 EDAB CN(C)c1ncccc1CNC(=O)NC[C@@H]1COc2ccccc2O1 44948723 GTRPZDIRLZWTRW-CQSZACIVSA-N 342.399 1.787 0 40 EDAB CC(=O)NCCNC(=O)CN(Cc1ccco1)Cc1ccc(C)s1 58316586 OXUXBEOWMZBLBP-UHFFFAOYSA-N 349.456 1.904 0 40 EDAB NC(=O)c1ccccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 58343278 UTCIVRABTCUIFO-UHFFFAOYSA-N 342.380 1.772 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@]1(C)Cc3ccccc3C(=O)O1)C2 72278897 IFNQYPOVBYMEIH-LIRRHRJNSA-N 339.395 1.794 0 40 EDAB Cc1nc(CNC(=O)NC[C@H](CC(C)C)N2CCOCC2)cs1 45342363 HVORRAVCEZSNIU-HNNXBMFYSA-N 340.493 1.998 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 100866256 YIHVHEGAAFLWJZ-VGWMRTNUSA-N 348.374 1.353 0 40 EDAB C[C@]1(C(=O)N2CCC[C@H](n3cncn3)C2)Cc2ccccc2C(=O)O1 72234801 PWSPOQPLUBODLC-KBXCAEBGSA-N 340.383 1.613 0 40 EDAB CCN(CC)S(=O)(=O)c1cc(-c2nnnn2CC)ccc1OC 57279478 WCGFMRNOBDKWEE-UHFFFAOYSA-N 339.421 1.399 0 40 EDAB Cc1cccc(N2CCN(C(=O)N[C@H]3CCCCNC3=O)CC2)c1C 45665967 GDBMPYIGVQPSFL-INIZCTEOSA-N 344.459 1.804 0 40 EDAB O=C(CSc1nnc(N2CCCC2)n1Cc1ccco1)NC1CC1 11428308 AWIJMKUPGYAPIK-UHFFFAOYSA-N 347.444 1.890 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C)C2)cc(C)c1C 11496681 HEQYHIFMMWOSLK-NSHDSACASA-N 326.418 1.072 0 40 EDAB Oc1ccccc1N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 84506013 PYAWSBHCNVILSE-HZPDHXFCSA-N 336.432 1.071 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(=C(C)C)NN32)cc1 10152932 JARZZJUBYCIFJT-CYBMUJFWSA-N 341.371 1.144 0 40 EDAB Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)CC3)C2=O)c(C)c1 10153709 UOZBJCHOSRWUQQ-OAHLLOKOSA-N 329.400 1.133 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)C)c1 46034986 TVMNGZWRBMDNLZ-CYBMUJFWSA-N 330.425 1.915 0 40 EDAB COc1ccc(OC[C@@H](O)CN2CCNC(=O)C2)c(C(C)(C)C)c1 46344099 DHAHHBWXQHDPRS-ZDUSSCGKSA-N 336.432 1.164 0 40 EDAB O=C(COC(=O)CNC(=O)C1CCCCC1)NCc1ccccc1 3427932 CIEOAGBFRYVYEI-UHFFFAOYSA-N 332.400 1.543 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)COc3ccc(C(N)=O)cc3)C2)c1 71185759 DSLWJGFXAZZGPE-HNNXBMFYSA-N 342.399 1.533 0 40 EDAB C[C@H](C(=O)NCc1ccccc1)N1CCO[C@H](Cn2cccn2)C1 71185549 DDBJKZKBLZGQCW-WBVHZDCISA-N 328.416 1.289 0 40 EDAB Cc1ccccc1C[C@@H](C)NC(=O)CN1CCCN(C(N)=O)CC1 84235661 DYVXPXLFRSYUFE-OAHLLOKOSA-N 332.448 1.129 0 40 EDAB CC[C@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 4064466 RYZJEZHEFUARDP-ZDUSSCGKSA-N 347.367 1.940 0 40 EDAB biogenic Cc1ccnc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)n1 4165094 UQGBDRNPOCRQOW-ZDUSSCGKSA-N 329.312 1.107 0 40 EDAB O=C(C1CCN(c2ncccn2)CC1)N1CCN(C2CCCC2)CC1 49652432 HZFBZEXKSKWXEU-UHFFFAOYSA-N 343.475 1.780 0 40 EDAB Cc1csc(N2CCN([C@@H](C)C(=O)Nc3ncccn3)CC2)n1 65593668 ATTLCIJCNZKYBN-LBPRGKRZSA-N 332.433 1.391 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N1CCN([C@@H](C)c2ccccc2F)CC1 65528927 XOKHNEHXXXSDJY-QWHCGFSZSA-N 336.411 1.348 0 40 EDAB CN(c1ccc(OCC(=O)NCc2ccco2)cc1)S(C)(=O)=O 22230460 HMTFACBQSGKRQM-UHFFFAOYSA-N 338.385 1.371 0 40 EDAB O=C(NC[C@H]1CCOC1)Nc1cccc(S(=O)(=O)C(F)F)c1 72301248 FMTHMLWOEUYMHE-SECBINFHSA-N 334.344 1.841 0 40 EDAB CCN1C[C@H](C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1=O 66706507 TUKMVVGHQPTPDZ-DOMZBBRYSA-N 338.354 1.733 0 40 EDAB COC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860362 SGVVPDSKSVJUBZ-UHFFFAOYSA-N 347.396 1.113 0 40 EDAB O=C(Nc1ccc(-n2cccn2)nc1)N1CCC(n2cncn2)CC1 71853951 POGLIFRXBQKFBK-UHFFFAOYSA-N 338.375 1.728 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2Cn2cccn2)c(=O)[nH]1 71865266 IPBJTRVLCVORQT-CQSZACIVSA-N 329.404 1.207 0 40 EDAB O=C([C@@H]1CCOC1)N1CCN(Cc2nc3ccccc3s2)CC1 71832958 CQQXEYDCJYLYPI-CYBMUJFWSA-N 331.441 1.977 0 40 EDAB CC1(C)NC(=O)N(CC(=O)N[C@H]2CCCCc3ccccc32)C1=O 69442574 QALAGZIAUFQOPX-AWEZNQCLSA-N 329.400 1.901 0 40 EDAB C[C@@H](O)CN1CCN(C[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 71877370 LSIARQDOIBDJRO-CJNGLKHVSA-N 346.393 1.911 0 40 EDAB C[C@@H](O)CN1CCN(C[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1 71877372 LSIARQDOIBDJRO-CZUORRHYSA-N 346.393 1.911 0 40 EDAB CCCCn1nc(C)c(C(=O)N2CCN(C[C@H](C)O)CC2)c1Cl 69656236 VNGWPUQBENOAHW-LBPRGKRZSA-N 342.871 1.784 0 40 EDAB O=C1CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CCN1 17818442 XQQMRBSBMQNVKV-UHFFFAOYSA-N 332.363 1.869 0 40 EDAB CCCCNC(=O)CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O 69768973 MJZAAXGGXKWGFL-GOSISDBHSA-N 347.415 1.465 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H](OC)c3ccccc3)CCO2)n1 83829747 QYCOLENYVRVOSO-ZFWWWQNUSA-N 330.388 1.655 0 40 EDAB CCN(CC)CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 69813650 MVRLTEWDKOZLAE-UHFFFAOYSA-N 348.490 1.019 0 40 EDAB O[C@H]1CCN(c2ncnc3ccc(I)cc23)C1 71913892 GWHACVGEFQBJPT-VIFPVBQESA-N 341.152 1.805 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@H]2Cn2cccn2)CN1C1CCCC1 69951942 KAXXHNYAGXCGFE-HOCLYGCPSA-N 330.432 1.665 0 40 EDAB CC(C)CN1CCC(C(=O)N2CCN(CC(C)(C)O)CC2)CC1 69968879 HCHFPKMJLCJFGQ-UHFFFAOYSA-N 325.497 1.270 0 40 EDAB COCCN1[C@H](C)CN(C(=O)c2cc(F)c(F)c(O)c2F)C[C@H]1C 97374942 CNULTUJYLYWLJB-NXEZZACHSA-N 346.349 1.991 0 40 EDAB O=C(Cn1cnnn1)N1CCCCc2cc(Br)ccc21 92572759 KNFPLGSLADNBGQ-UHFFFAOYSA-N 336.193 1.805 0 40 EDAB C[C@H](COCC(F)(F)F)NC(=O)Cc1n[nH]c(=O)c2ccccc12 84640464 QBHVOMBHUWDPAY-SECBINFHSA-N 343.305 1.549 0 40 EDAB CN(C)[C@H](CNC(=O)NCCNC(=O)OC(C)(C)C)c1ccco1 72088021 ZTMCUHIEFZGBKV-GFCCVEGCSA-N 340.424 1.706 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccn2)cc1 9766145 XWBHJRMUUZKPMT-UHFFFAOYSA-N 334.353 1.281 0 40 EDAB CN(Cc1cccs1)C(=O)CN(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O 84093669 VNRLATHMHXSCIU-KGLIPLIRSA-N 344.502 1.604 0 40 EDAB C[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)N1CCCCCC1 95433103 IMHYHHLFQBTPHY-GDBMZVCRSA-N 326.462 1.861 0 40 EDAB O=C(C[C@H]1COCCN1C(=O)c1n[nH]c2c1CCC2)c1ccco1 95439897 XNOQUCZRCGWQDA-NSHDSACASA-N 329.356 1.605 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCCO)cc1 98075175 KBSBQYGDKGYMHS-HNNXBMFYSA-N 342.461 1.187 0 40 EDAB CC(C)(C)NC(=O)N1CCC(NC(=O)c2[nH]nc3c2CCCC3)CC1 95990211 IDAFPONTSHHWEJ-UHFFFAOYSA-N 347.463 1.991 0 40 EDAB C[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1O)c1cnn(C)c1 95978819 RDQIFASZXPBSCH-SNVBAGLBSA-N 329.335 1.942 0 40 EDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N=c1[nH]c2ccccc2[nH]1 85593395 LIHQKOXWCJOEBW-TXEJJXNPSA-N 340.383 1.489 0 40 EDAB CCn1cc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cn1 74423972 CLNCKJKLZQOZIS-UHFFFAOYSA-N 326.400 1.938 0 40 EDAB COc1ccccc1N1CCN(C(=O)c2cccn(C)c2=O)CC1 74706044 BAHRYPWKQVWLEU-UHFFFAOYSA-N 327.384 1.356 0 40 EDAB CCc1nc(CN2CCC[C@@H](NCC3CCN(C(C)=O)CC3)C2)no1 75133991 DMHGDCPXNYAELV-MRXNPFEDSA-N 349.479 1.445 0 40 EDAB Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(=O)[nH]1 75118157 WGRLZHGVYQFSJK-INIZCTEOSA-N 341.411 1.314 0 40 EDAB c1ccc(-n2ncc(CNC[C@@H]3CCCN3c3cccnn3)n2)cc1 75128927 DYEORDLEODICKX-KRWDZBQOSA-N 335.415 1.816 0 40 EDAB Cn1cc(C(N)=O)c(NS(=O)(=O)c2ccc3ccccc3c2)n1 89749826 GKPXSTFFFFQQNU-UHFFFAOYSA-N 330.369 1.473 0 40 EDAB O=C1NC[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)N1 89783145 KLJHUVKWNNOHJW-CYBMUJFWSA-N 337.807 1.186 0 40 EDAB CSc1ccc(C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1 89885286 CMQDHJWWTUHLMR-AWEZNQCLSA-N 342.486 1.951 0 40 EDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCCN1CCCC1 89969243 VSSHTRIASXHRSS-UHFFFAOYSA-N 343.431 1.550 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 89922173 ISKCJEXOZRIWKE-MCIONIFRSA-N 333.436 1.348 0 40 EDAB O=C(O)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1 75572414 FHUFQHJRDCZUSR-HNNXBMFYSA-N 330.384 1.650 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)n1 76046114 JXKKQAVZUBMWNI-JSGCOSHPSA-N 345.403 1.520 0 40 EDAB COc1ccc(OC)c(COC[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)c1 35052934 YKLOLFWVOCKEAE-FMKPAKJESA-N 339.432 1.691 0 40 EDAB CCN(CC)CCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 72238021 ZDZZYGRIFURMNB-ROUUACIJSA-N 347.459 1.433 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(CC)cc1 218541407 TWOORSUUPMNTET-YQQAZPJKSA-N 339.457 1.658 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2cccc(F)c2)n(C)c1 25512021 WEUWBJIBTKHXEU-UHFFFAOYSA-N 339.392 1.345 0 40 EDAB C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)CCCc2ccccc21 33249657 PCUSHLQHFMGMMQ-HNNXBMFYSA-N 345.443 1.193 0 40 EDAB COc1ccc(CC(=O)Nc2ccc(OC)c(-n3cnnn3)c2)cc1 36358627 OQKGIPGTJYBUIP-UHFFFAOYSA-N 339.355 1.861 0 40 EDAB COC(=O)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 79493967 QOUDRAAYNOWRHG-UHFFFAOYSA-N 349.774 1.243 0 40 EDAB CNC(=O)NC(=O)CCN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 78394013 YXZOQKLBGUVLTL-LBPRGKRZSA-N 342.440 1.163 0 40 EDAB COc1cccc(N2Cc3nc(N4CCC(O)CC4)ncc3C2=O)c1 72260041 MNRAULNYHIMYAO-UHFFFAOYSA-N 340.383 1.607 0 40 EDAB COc1cc(OC)c([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1OC 70666347 YPKPSRMMDYTQCS-SNVBAGLBSA-N 347.367 1.905 0 40 EDAB biogenic O=C(c1cnn(-c2ccccc2)n1)N1CC[C@H](Oc2ccncc2)C1 121380296 XMDAEVPDYJFUNF-INIZCTEOSA-N 335.367 1.956 0 40 EDAB COC(=O)c1ccc([C@H]2[C@@H](C(C)=O)C(=O)C[C@](C)(O)[C@H]2C(C)=O)cc1 36368141 YRDBVESBSOGABM-DWRORGKVSA-N 346.379 1.691 0 40 EDAB Cc1cc(C)c(N(C[C@@H](O)CNC(C)C)S(C)(=O)=O)c(C)c1 31903764 HITJXFSAYDVSOK-HNNXBMFYSA-N 328.478 1.737 0 40 EDAB COc1ccc(Cn2ccc(N[C@H](C)C(=O)N3CCNC3=O)n2)cc1 187517391 CQUBITASKBMYNQ-GFCCVEGCSA-N 343.387 1.292 0 40 EDAB C[C@H]1CCCN(C(=O)Cn2ncn3c(cc4ccsc43)c2=O)C1 72335246 MKMNQDSWXFMPMD-NSHDSACASA-N 330.413 1.969 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 72368815 RYTISOISRBXHBQ-LBPRGKRZSA-N 345.428 1.865 0 40 EDAB CS(=O)(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)c(Cl)c1 38757281 MCSPCAKZMAEUPK-JTQLQIEISA-N 332.809 1.620 0 40 EDAB C[C@@H](CN1CCCCC1)NS(=O)(=O)c1cnn(CC(F)F)c1 188212098 CLVMEISYXFKRBK-NSHDSACASA-N 336.408 1.301 0 40 EDAB C[C@@H](COc1ccccc1)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 78442350 WCSMUERNTIUGOY-KBPBESRZSA-N 341.429 1.669 0 40 EDAB COc1ncccc1C(=O)N1CC[C@](C(=O)O)(c2ccccc2)C1 565031238 AVCJZEIIUNFYPV-GOSISDBHSA-N 326.352 1.959 0 40 EDAB O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)C(=O)Nc1cccc(-n2cnnc2)c1 49550643 LPTYKPKBJWLYQY-RDBSUJKOSA-N 337.383 1.534 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NC[C@@](C)(O)CCSC 75157574 USTODDJIWJFCEJ-ZDUSSCGKSA-N 337.438 1.617 0 40 EDAB Cc1ccc2cnn(CCCNC(=O)[C@H]3CSCCC(=O)N3)c2c1 226753216 MIIQJQSXXQUMRS-CQSZACIVSA-N 346.456 1.473 0 40 EDAB CO[C@@H](CNC(=O)C(=O)Nc1ccon1)c1ccc(Cl)s1 225707960 KDUMTCUJADREGU-ZETCQYMHSA-N 329.765 1.832 0 40 EDAB Cc1noc(C)c1[C@H](C)CNS(=O)(=O)N1CCC(C(=O)O)CC1 573718562 QNEOCMAOHNDZHI-SECBINFHSA-N 345.421 1.026 0 40 EDAB CCC(CC)C(=O)N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O 514289075 SHKSRHCNFWNJIK-MELADBBJSA-N 334.407 1.398 0 40 EDAB biogenic,in-vitro Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c1 195571736 DRUVKBCROMHMJX-LLVKDONJSA-N 347.234 1.396 0 40 EDAB Cc1cncc(C(=O)N2CCc3ncc(Cn4cccn4)n3CC2)c1 96196958 WCTIPHRAMDGWBI-UHFFFAOYSA-N 336.399 1.530 0 40 EDAB CCn1nnc2c1CCN(C(=O)COC)[C@H]2COCc1ccccc1 96198501 JRHRPLALFOCQRL-INIZCTEOSA-N 344.415 1.587 0 40 EDAB Cc1cnc(C(=O)N2CCC3(CC2)C[C@H](OCC2CC2)CO3)cn1 96073094 MRPUPFNRLLGNHC-HNNXBMFYSA-N 331.416 1.975 0 40 EDAB C[C@H](CC(=O)N(C)c1ccccc1)NC[C@H]1CN2CCC[C@@H]2CO1 96477155 URIJSQSFNFCDBF-NXHRZFHOSA-N 331.460 1.881 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(COCCN(Cc3ccncc3)C2)C1 96062362 FSMILTJBWXGWIS-LJQANCHMSA-N 341.459 1.540 0 40 EDAB O=C(N[C@@H]1CN(c2ncc(F)cn2)C[C@@H]2CCCO[C@@H]21)c1ccno1 96065182 ZPDAESMHPCBUSX-SUHUHFCYSA-N 347.350 1.018 0 40 EDAB Cn1cc(CN2CC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)cn1 96209063 KDSNMJCPSDTFFP-MSOLQXFVSA-N 328.416 1.765 0 40 EDAB COCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)C2CC2)Oc2ccccc21 96111739 HEECSZKHXHKCRR-ZFWWWQNUSA-N 330.384 1.438 0 40 EDAB biogenic,in-vitro CC(C)n1cc([C@]2(O)CCN(Cc3noc4c3CCCC4)C2)nn1 583618367 QCLOSQSFUPMBIO-KRWDZBQOSA-N 331.420 1.819 0 40 EDAB C[C@@H](NC(=O)CN1CCO[C@@H](c2nncn2C)C1)c1cccs1 583624086 OXCJIXSWPUNRGJ-VXGBXAGGSA-N 335.433 1.127 0 40 EDAB O=C(c1ccccn1)N1CCOC[C@@]2(CC[C@H](CN3CCCC3)O2)C1 96063373 TZPHTPMSNRLDIS-VQIMIIECSA-N 345.443 1.568 0 40 EDAB CNC(=O)c1cc2c(nc1N(C)C)CCN(Cc1cccnc1)CC2 96260312 YOQZOZDYWUTAOY-UHFFFAOYSA-N 339.443 1.503 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)N[C@@H](Cc2ccccc2)C2CC2)cn1 96421619 HNGRISKPJVEHJB-PKOBYXMFSA-N 342.443 1.948 0 40 EDAB c1ncc(N2CCOC[C@@]3(CCCN(C[C@@H]4CCOC4)C3)C2)cn1 96076568 BMMGXVROIKTCOL-FUHWJXTLSA-N 332.448 1.432 0 40 EDAB CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)Nc2ccn(C)n2)n1 585120068 NOWHNXXPBQMZSE-SNVBAGLBSA-N 349.395 1.624 0 40 EDAB O=C(c1ccncn1)N1C[C@@H]2OC[C@H](CCOc3ccccn3)[C@@H]2C1 247882467 VZSHPWFZUHMBHC-DZKIICNBSA-N 340.383 1.428 0 40 EDAB Cc1nccc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)n1 257291842 QIVMQSABHYKVKX-AWEZNQCLSA-N 327.388 1.357 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccnc(Cc2cccc(F)c2)c1 257250507 JMUIACPLLPBMGW-OAHLLOKOSA-N 348.399 1.728 0 40 EDAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccsc3)C2)ncn1 257210339 BUEWPOYOKTWLFW-INIZCTEOSA-N 332.429 1.608 0 40 EDAB CN(C)Cc1cnc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)[nH]1 257215509 CQLUCTHPMDZKMZ-AWEZNQCLSA-N 334.445 1.675 0 40 EDAB Cc1nonc1CC(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 257304694 SMTDZSIRBSBOCF-NVXWUHKLSA-N 331.372 1.351 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1 257305463 SQDOJGFSQOSMJU-AWEZNQCLSA-N 345.403 1.065 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ccccc1OC 257295178 QXHDKVOBZMTAJR-GOSISDBHSA-N 340.383 1.363 0 40 EDAB Cc1cnn(CC(=O)N2CCCC[C@@H]2c2cc(O)n3ccnc3n2)c1 257253254 JYDQOARMQFSCRK-CQSZACIVSA-N 340.387 1.694 0 40 EDAB O=C(O)c1cccc(O[C@@H]2CN(Cc3ncccc3F)C[C@H]2O)c1 257300363 RTZHICVNJWHIGM-HZPDHXFCSA-N 332.331 1.543 0 40 EDAB O=C(NCc1ccnnc1)c1cccn(Cc2ccccc2F)c1=O 257335839 YMBUPUXJRHSDFB-UHFFFAOYSA-N 338.342 1.756 0 40 EDAB CCS(=O)(=O)N(C)c1cccc(C(=O)NC[C@H]2CCCO2)c1 260822777 AGBZKSVWULFXMR-CQSZACIVSA-N 326.418 1.381 0 40 EDAB Cc1cnn(C)c1S(=O)(=O)NC[C@@H]1CCN(c2ccccc2)C1 285250956 RZCMUPFRLPFJIC-AWEZNQCLSA-N 334.445 1.533 0 40 EDAB O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)c1cnn(C2CCC2)c1 1615554324 KLMOHRGFOIJGGM-KBPBESRZSA-N 328.338 1.880 0 40 EDAB CN(c1nnnn1Cc1ccc(CN2CCCC2=O)cc1)C1CC1 1616036771 XGNBSUZOCCVKLR-UHFFFAOYSA-N 326.404 1.442 0 40 EDAB COc1nc(CNC(=O)C2(c3ccc(F)cc3)CC2)nc(N(C)C)n1 575603129 AKZWGPOPVBLIOM-UHFFFAOYSA-N 345.378 1.433 0 40 EDAB CC(C)NC[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O 585284466 FSTGIHUTPGTQQJ-RDJZCZTQSA-N 340.851 1.205 0 40 EDAB Cn1ccc(CC(=O)N2CC[C@]3(CCC[C@H](CN4CCCC4)O3)C2)n1 585103419 VSLOCHBSNMVHDM-IEBWSBKVSA-N 346.475 1.599 0 40 EDAB O=C(Cc1ccccn1)N1CC[C@](O)(COc2ccc(F)cc2)C1 585277202 NEFNKWVBESHMSU-GOSISDBHSA-N 330.359 1.806 0 40 EDAB CO[C@@H]1CCN(C(=O)c2ccc3ncccc3c2)C[C@H]1CC(N)=O 585278080 ZIYCWTOOSNOEAC-GDBMZVCRSA-N 327.384 1.587 0 40 EDAB C[C@H]1c2nnc(COc3cccnc3)n2CCN1C1CCOCC1 585097899 SQDMUGJCGWZUML-ZDUSSCGKSA-N 329.404 1.808 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(F)c(NC(=O)C2CC2)c1 32771687 FGXRMZPQLOLSJY-VIFPVBQESA-N 336.367 1.820 0 40 EDAB O=C(NCCNc1ncccn1)c1ccc(OC[C@H]2CCCO2)cc1 47992937 XDKZFDQFPXQANX-MRXNPFEDSA-N 342.399 1.876 0 40 EDAB NC(=O)COc1ccc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 56951984 LTYBMNHSRHMFKW-HNNXBMFYSA-N 344.371 1.179 0 40 EDAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCC[C@H](c2nc[nH]n2)C1 75094516 JOERJTFVHBXNGN-HNNXBMFYSA-N 336.399 1.939 0 40 EDAB CSc1nnnn1-c1cccc(NC(=O)CCn2cccn2)c1 89496675 DNGNFRINNZYKNF-UHFFFAOYSA-N 329.389 1.610 0 40 EDAB CN1OC2(CC1=O)CN(C(=O)COc1ccc(C(C)(C)C)cc1)C2 1549160855 BMRGFZCNNHUPML-UHFFFAOYSA-N 332.400 1.738 0 40 EDAB Cc1cc2n(n1)C1(CCN(Cc3cc(C)on3)CC1)CC(=O)N2C 1772596201 UOJGZOOBPHRTJI-UHFFFAOYSA-N 329.404 1.846 0 40 EDAB COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 5794679 CWLCJFYMIWCHIY-AWEZNQCLSA-N 340.445 1.158 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1nc(-c2ccco2)cc(N)c1=O 12146637 ZAAALKNGMWSGEL-AAEUAGOBSA-N 330.388 1.780 0 40 EDAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)NC3CC3)c(=O)n12 12181922 MLGQAYUGFRPRJW-UHFFFAOYSA-N 326.356 1.245 0 40 EDAB Cn1c(=O)c2c(NC(=O)c3ccc(F)cc3)ccnc2n(C)c1=O 13011008 GXQGRPXQVIBULW-UHFFFAOYSA-N 328.303 1.024 0 40 EDAB CC(C)NC(=O)Cn1nc2c3ccccc3nc(C(C)(C)C)n2c1=O 19449924 UZSSHTGANXHEAU-UHFFFAOYSA-N 341.415 1.866 0 40 EDAB CC(=O)N[C@@]12CN(CCc3ccccc3)CC[C@@H]1CN(C(C)=O)C2 19713659 RXGBZPDAIIUDIH-RTBURBONSA-N 329.444 1.288 0 40 EDAB C[C@]1(C(=O)NC2CCCC2)CN(CC(=O)Nc2ccccn2)CCO1 19747065 ZPDGBRLOZKGIFC-GOSISDBHSA-N 346.431 1.170 0 40 EDAB Cc1cc(C)c(C(=O)C[C@H](N2CCOCC2)C(F)(F)F)c(=O)[nH]1 19874552 XLCQPLARZZQQJC-LBPRGKRZSA-N 332.322 1.828 0 40 EDAB O=C(COc1cccc(F)c1)N1CCOC[C@@H](Cc2cnccn2)C1 607853721 YXJABCMQLUIQOO-AWEZNQCLSA-N 345.374 1.712 0 40 EDAB Cc1nnsc1C(=O)N1CCCN(C2CCSCC2)CC1 575616354 NIQWGPYNIPHYOG-UHFFFAOYSA-N 326.491 1.890 0 40 EDAB Cc1cccc(S(=O)(=O)NC[C@H](C(=O)O)C2CCOCC2)c1 580064595 MKSUXMWOVVRLSX-AWEZNQCLSA-N 327.402 1.401 0 40 EDAB Cn1ccc(C(=O)N2C[C@H]3CCC[C@@]3(COc3ncc(F)cn3)C2)n1 1888869509 KRVFBJLXPHMOMQ-PXAZEXFGSA-N 345.378 1.671 0 40 EDAB O=S(=O)(c1ccccc1Br)N1CC(n2ccnn2)C1 225694554 NAZNYWPBTCOEOY-UHFFFAOYSA-N 343.206 1.286 0 40 EDAB COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C3CC(C)C3)C[C@H]21 1614928375 CRTJZOSHBIYTJT-MTERUZRBSA-N 338.448 1.049 0 40 EDAB Cc1cc(CN2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)on1 2087127148 WWDBXTUMPYCDJO-ZDUSSCGKSA-N 329.347 1.442 0 40 EDAB NC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCc1cccs1 10254215 QSEYGCVFJKQCFJ-UHFFFAOYSA-N 343.364 1.848 0 40 EDAB Cc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)on2)N(C)C)cc1 10331915 LYJWMFQFEIOMGV-AWEZNQCLSA-N 330.388 1.649 0 40 EDAB Fc1ccc(N2CN(CCCN3CCOCC3)CNC2=S)cc1 12374554 UGPLXJRBMSFWTI-UHFFFAOYSA-N 338.452 1.460 0 40 EDAB O=C(N[C@H]1CCc2onc(CN3CCCC3)c2C1)c1ccncc1 2055734717 NVVBUNHLXIQSRI-AWEZNQCLSA-N 326.400 1.953 0 40 EDAB COc1ccc(CNC(=O)CCn2nnc3ccccc3c2=O)cc1 26524144 HHHQEPDYBPRLJT-UHFFFAOYSA-N 338.367 1.507 0 40 EDAB C[C@@H](C(=O)NCc1nc2ccccc2[nH]1)n1nc2c(cc1=O)CCC2 575621004 UPUSBCIDBGFODR-NSHDSACASA-N 337.383 1.486 0 40 EDAB CC1=C[C@H](c2ccccc2)N2N=C(NC(=O)CCC(=O)O)NC2=N1 6782720 DDRZOYPCABIDOL-GFCCVEGCSA-N 327.344 1.158 0 40 EDAB COCCS(=O)(=O)CC(=O)Nc1ccccc1N1CCCCC1 40117624 VMBJYLGRPRGCFM-UHFFFAOYSA-N 340.445 1.677 0 40 EDAB CN1N=C(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CCC1=O 30897047 NFHZTSGAWRQVLQ-UHFFFAOYSA-N 346.406 1.468 0 40 EDAB CCC(=O)Nc1ccc([C@H](C)NC(=O)NCC(=O)NC(C)C)cc1 31104029 QYAGLEGALFBCLA-LBPRGKRZSA-N 334.420 1.920 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccc(N2CCNC2=O)cc1)c1ccco1 40479939 INKBPGWKBFINGV-OAHLLOKOSA-N 342.399 1.842 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)Cc1ccccc1Cl 40528450 SXCRRUGWMAKDII-DGCLKSJQSA-N 345.848 1.939 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1 40501147 JRQWTJMTMDPDRE-UHFFFAOYSA-N 343.424 1.391 0 40 EDAB O=C(COC(=O)c1ccc(N2CC=CC2)cc1)NCC(F)(F)F 101265533 VQWGFRBXZDOIQQ-UHFFFAOYSA-N 328.290 1.898 0 40 EDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cc(=O)[nH]c2nc3ccccc3n12 101343254 OPPBSWIFCRFRBV-PHIMTYICSA-N 336.351 1.855 0 40 EDAB COCCN1C(=O)C[C@@H](Nc2ccc(OC)c(OC(F)F)c2)C1=O 103580871 RPJCAKONYMUXDS-SNVBAGLBSA-N 344.314 1.482 0 40 EDAB COc1cccc([C@@H](CNC(=O)c2ccc(=O)[nH]c2)N2CCCC2)c1 22619102 HBULMRLLVRJNMK-QGZVFWFLSA-N 341.411 1.950 0 40 EDAB CCOC(=O)c1cnc(SCC(=O)NCc2ccco2)nc1N 420965 BCOLTYFGIKHAPK-UHFFFAOYSA-N 336.373 1.237 0 40 EDAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)OC[C@H]3CCCO3)cc2)C1 53706639 XOWAPIPJIOMBNX-GOEBONIOSA-N 332.400 1.724 0 40 EDAB NC(=O)CCOc1ccc(NC(=O)NCCc2ccccn2)cc1 78600202 PBOAYCPDSJGIPR-UHFFFAOYSA-N 328.372 1.700 0 40 EDAB Cc1nc(CSCC(=O)NCc2ccc(N3CCCC3)nc2)no1 47478088 LVVILPPQKFQFLF-UHFFFAOYSA-N 347.444 1.923 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC2(CC1)OCCO2 53952551 QYNRKUDGCTVANT-LLVKDONJSA-N 328.409 1.702 0 40 EDAB O=C(Nc1ccc(-n2cccn2)nc1)[C@H]1CC(=O)N(C2CCCC2)C1 22989784 PSFXHGFISICMGD-ZDUSSCGKSA-N 339.399 1.997 0 40 EDAB C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccc(F)cc1 23057983 BKYFFTWVUWVVEZ-VIFPVBQESA-N 325.365 1.303 0 40 EDAB C[C@H](NC(=O)c1cc(Cl)cn1C)c1ccc(S(N)(=O)=O)cc1 23481560 HMLDXRJTCPKYNW-VIFPVBQESA-N 341.820 1.817 0 40 EDAB COc1ccc([C@H]2NNC(=O)[C@@H]2NC(=O)c2ccc(F)cc2)cc1 6441563 YMIBBNYVFVMYLH-HUUCEWRRSA-N 329.331 1.308 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)NCc2cccs2)c(C)s1 6680043 CHOFIOVCUNHVNU-UHFFFAOYSA-N 330.456 1.956 0 40 EDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)OCC(=O)c1ccc[nH]1 7981479 MJHDZNCXENDJFN-UHFFFAOYSA-N 328.246 1.621 0 40 EDAB Cc1ccc(NS(=O)(=O)CCNC(=O)c2cnns2)cc1F 54794536 FIGTUDPGFNXDSA-UHFFFAOYSA-N 344.393 1.157 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2sccc2C)n2ncnc2N1 10157073 DPLQSGUIMGXLIG-CYBMUJFWSA-N 345.428 1.796 0 40 EDAB C[C@@H](CNC(=O)[C@@H](C)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 24594095 OGVJRZHOWRKYIP-JKSUJKDBSA-N 343.471 1.849 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NC1CCCCCC1 8708238 QLQFKCWDKPQQOT-UHFFFAOYSA-N 343.449 1.751 0 40 EDAB Cc1nc(CN2CCC[C@H](N[C@@H](C(N)=O)c3ccc(F)cc3)C2)no1 106662145 HVOHVULCOASMKL-GOEBONIOSA-N 347.394 1.298 0 40 EDAB CCC(CC)[C@H](CNC(=O)Nc1cc(C)nn1C)N1CCOCC1 43434057 QPWNPDSLNWGVEG-HNNXBMFYSA-N 337.468 1.987 0 40 EDAB COC(=O)[C@@]12[C@H]3[C@@H]4C=CC[C@@H]4[C@H]4[C@@H]3[C@H]3[C@H]5[C@@H]6[C@@H](CC[C@H]6O[C@@H](O)[C@@]451)[C@H]32 104286838 OBUAIGMFSGRYTH-OTJXVESJSA-N 340.419 1.833 0 40 EDAB CCN1C[C@H](C)[C@@H](NS(=O)(=O)c2ccc(OCCOC)cc2)C1 107059032 DZUXRLHZUWUNHP-BBRMVZONSA-N 342.461 1.330 0 40 EDAB CCCn1c(=O)c2ccccc2n(CC(=O)NCCC(C)C)c1=O 57477459 AFIKCNLGFRZPEK-UHFFFAOYSA-N 331.416 1.736 0 40 EDAB CSCC[C@@H]1NC(=S)N(Cc2ccc(-n3ccnc3)nc2)C1=O 58393513 QCJIKRXWQWQFMO-LBPRGKRZSA-N 347.469 1.606 0 40 EDAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNC(C)(CO)CO)[C@H]3C=C12 12661721 RWZIHELHZIFYEH-PVUDFCJISA-N 337.460 1.634 0 40 EDAB biogenic C[C@H](SCc1ccc(F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 12612899 UNOUSUFOAYTZIA-GXFFZTMASA-N 331.434 1.751 0 40 EDAB Cc1nc2ccccc2c(=O)n1CC(=O)N1C[C@@H](N(C)C)[C@H](C)C1 89729916 PNOMFYNYAIFQNH-MLGOLLRUSA-N 328.416 1.113 0 40 EDAB COCCn1cc(NC(=O)NCCNC(=O)OC(C)(C)C)cn1 58155032 ZMJQBFXVFRACPY-UHFFFAOYSA-N 327.385 1.176 0 40 EDAB O=C(NCCCOC[C@H]1CCCO1)c1cnn(-c2ccccc2)n1 44872767 ZOTVJFKYXJVKSS-OAHLLOKOSA-N 330.388 1.583 0 40 EDAB Cc1nnc(CN2CCN(C(=O)N(C)Cc3ccccc3)CC2)n1C 48260785 ALTJRYKYBOBUSM-UHFFFAOYSA-N 342.447 1.493 0 40 EDAB Cc1cc(N2CCN(c3nc4ccccc4o3)CC2)n2ncnc2n1 58244510 FCXCANYFRRVVKA-UHFFFAOYSA-N 335.371 1.901 0 40 EDAB CN(CC(=O)Nc1nc2ccccc2n1C(C)(C)C)S(C)(=O)=O 58279670 XPELSNKZPQEFHX-UHFFFAOYSA-N 338.433 1.621 0 40 EDAB O=C(CCc1ccc(F)cc1)NC1CCN(CC(=O)NC2CC2)CC1 58244442 YWKAYXOSEZFDPL-UHFFFAOYSA-N 347.434 1.618 0 40 EDAB Cc1csc([C@](O)(CC(=O)Nc2c[nH]ccc2=O)C(F)(F)F)n1 58202843 GWYHCPBHVXGMCR-GFCCVEGCSA-N 347.318 1.919 0 40 EDAB Cc1cc(-c2nnn(Cc3nnnn3-c3ccccc3)n2)ccc1F 58208545 FWUUOCLFUKESOG-UHFFFAOYSA-N 336.334 1.812 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)NC[C@@H](C)N1CCc2ccccc21 44952206 SVMPWLATCDBQEI-CQSZACIVSA-N 338.473 1.625 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N(C)Cc1ccc2c(c1)OCCO2 44969606 LBHCQQXZOAGPEU-ZDUSSCGKSA-N 330.388 1.884 0 40 EDAB CCOc1ccc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)n1 58324460 PVLOKJGALQNXJW-ZDUSSCGKSA-N 347.802 1.960 0 40 EDAB Cc1nn(C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1Br 101684339 HVVKFOQIMSDSBK-QEYWKRMJSA-N 343.177 1.781 0 40 EDAB O=C(Nc1cnn(Cc2cn3ccccc3n2)c1)c1ccc(=O)[nH]c1 58379690 DOAIDBSLUJMHHV-UHFFFAOYSA-N 334.339 1.520 0 40 EDAB C[C@H](NC(=O)NCCCNS(C)(=O)=O)c1ccc(F)c(F)c1 45138625 JOZAPKSWRWKHRP-VIFPVBQESA-N 335.376 1.264 0 40 EDAB COc1ccc(CN(C)C(=O)CCNC(=O)c2cnccn2)cc1F 48303101 HXGJSTHMEBPBRN-UHFFFAOYSA-N 346.362 1.403 0 40 EDAB CCCN(CCC)S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 12852600 NMVNOGJHHUHQDY-UHFFFAOYSA-N 334.463 1.405 0 40 EDAB Cn1cccc(NC(=O)NCc2ccc(N3CCCC3)nc2)c1=O 76070796 CLOFPEIBVVJAGP-UHFFFAOYSA-N 327.388 1.702 0 40 EDAB COc1c(C(=O)N2CC[C@H](C(N)=O)C2)sc(C)c1Br 76065711 FCZRDQMTFBHQFT-ZETCQYMHSA-N 347.234 1.775 0 40 EDAB CNC(=O)C1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 29163483 RJBATYWQFSNRKB-LBPRGKRZSA-N 349.431 1.447 0 40 EDAB C[C@H](Sc1nnc(N)s1)C(=O)Nc1sccc1C(N)=O 12895714 MVZTWPGYXZXDOS-BYPYZUCNSA-N 329.432 1.400 0 40 EDAB C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 63194280 HMSKOBBOXVFYBW-ONGXEEELSA-N 326.447 1.582 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)C(=O)Nc1cccc2nonc12 13726563 DNDMOMXKCYPAFJ-ZDUSSCGKSA-N 326.312 1.011 0 40 EDAB CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@@H](C)C(=O)O 5235504 UWMJBXDRDWMJNM-JTQLQIEISA-N 333.340 1.632 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NCCN(C)C3CC3)CC2=O)cc1 65443564 NZLBTSQEWFXREG-ZDUSSCGKSA-N 331.416 1.259 0 40 EDAB COc1c(CNCC(=O)NCc2ccccc2)c(C(C)C)nn1C 65474725 XYVZKGICGPDKJM-UHFFFAOYSA-N 330.432 1.958 0 40 EDAB CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 14139834 OILAIEHYHDJHPB-TXEJJXNPSA-N 326.418 1.234 0 40 EDAB O=c1[nH]c2ccccc2n1C1CCN(c2ccc3nnnn3n2)CC1 14138010 FVZYQKAAZVPZNY-UHFFFAOYSA-N 336.359 1.004 0 40 EDAB CCCc1nnc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)s1 14168576 SNYKBNXMUNINJK-UWVGGRQHSA-N 336.417 1.604 0 40 EDAB O=C(NCCCNC(=O)C1CCC1)NCCc1cn2c(n1)CCCC2 95407383 VVHJBMZJXMPYTK-UHFFFAOYSA-N 347.463 1.368 0 40 EDAB C[C@H](NC(=O)NCCc1nnc2n1CCC2)[C@@H]1COc2ccccc21 95438150 BOBAILFWPKILJS-JSGCOSHPSA-N 341.415 1.631 0 40 EDAB COCCCNC(=O)c1nnn(-c2ccc3ncccc3c2)c1C 66815439 VADHMTPVBFDERJ-UHFFFAOYSA-N 325.372 1.890 0 40 EDAB C[C@H]1CN(CCNCc2ccccc2N2CCOCC2)C[C@@H](C)O1 66971498 CCZKOANDDNNEIB-CALCHBBNSA-N 333.476 1.722 0 40 EDAB CCO[C@@H]1C[C@H](O)C12CCN(c1nnnn1-c1ccccc1)CC2 95400776 RGMNKVDSGPJTRL-LSDHHAIUSA-N 329.404 1.419 0 40 EDAB Cn1cc([C@@H]2CCCN2CC(=O)N2CC(=O)Nc3ccccc32)cn1 71797341 WCAWEHBJIDRHCQ-HNNXBMFYSA-N 339.399 1.542 0 40 EDAB C[C@@H]1CN=C(N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)S1 95407803 XKTVGEZDEJXODF-LLVKDONJSA-N 343.460 1.615 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ncnn1C 95403731 OKANJZIPEUBEID-SWLSCSKDSA-N 329.404 1.276 0 40 EDAB Cc1cc(C(=O)Nc2ccccc2OCCN2CCN(C)CC2)[nH]n1 71883508 RJWZMDXSNFLBBP-UHFFFAOYSA-N 343.431 1.597 0 40 EDAB COc1cc(OC)cc(N2CC[C@H](N(C)Cc3cnn(C)c3)C2=O)c1 81512354 FCWDXBHMGQODSI-KRWDZBQOSA-N 344.415 1.675 0 40 EDAB Cc1cc(C(=O)N2CCCN(Cc3ncc(Cl)n3C)CC2)no1 71863875 TXXPBWRTBUXTPT-UHFFFAOYSA-N 337.811 1.718 0 40 EDAB O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(=O)[nH]c1 71833029 YALLYLNWYKDZMG-INIZCTEOSA-N 345.374 1.317 0 40 EDAB COCCN1CCN(Cc2csc(-c3cnn(C)c3)n2)C[C@@H]1C 70018421 RRYHOIDTQLBMPW-ZDUSSCGKSA-N 335.477 1.696 0 40 EDAB CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)NC(=O)NC 8343060 GLTKRPCQZNLZAB-UHFFFAOYSA-N 329.356 1.718 0 40 EDAB CN(CC(=O)NC1CC1)CC1CCN(C[C@H](O)c2ccccc2)CC1 69489451 SRBVSKYPYQVVTC-IBGZPJMESA-N 345.487 1.642 0 40 EDAB Cc1noc(CN2CCN([C@H](C)C(=O)NCc3cccs3)CC2)n1 69437286 FNVANOTVPLFNTA-GFCCVEGCSA-N 349.460 1.262 0 40 EDAB CCc1nnc2n1C[C@@H](CNCc1nccn1CC(F)(F)F)CC2 69565036 UHYGZPBSFVCVPE-LLVKDONJSA-N 342.369 1.952 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cn(-c2ccccc2Cl)nn1 69519784 MQKMQKBTTFUKCA-GHMZBOCLSA-N 347.806 1.647 0 40 EDAB Cc1nnc2n1CCN([C@H](C)C(=O)N[C@@H]1CCOc3ccccc31)C2 69559576 YCTBUUZHVRLURO-IUODEOHRSA-N 341.415 1.431 0 40 EDAB Cc1ccc([C@@H](NC(=O)CN2CCN(C[C@H](C)O)CC2)C2CC2)cc1 69627730 JGXRJWDDROMKIS-OXJNMPFZSA-N 345.487 1.561 0 40 EDAB O=C(NCCN1CCN(C(=O)C2CCC2)CC1)Nc1ccccc1F 71908617 QRLJBELGGMJUQQ-UHFFFAOYSA-N 348.422 1.892 0 40 EDAB NC(=O)Nc1ccc(C(=O)OCc2nnnn2-c2ccccc2)cc1 17666904 WMWHOWKJIBJICL-UHFFFAOYSA-N 338.327 1.510 0 40 EDAB Cc1ccc(N2CCCN(C(=O)CCNc3ncccn3)CC2)nn1 69773760 DUWPMWJSAQTFGB-UHFFFAOYSA-N 341.419 1.116 0 40 EDAB COCc1cccc(C(=O)NS(=O)(=O)C[C@H]2CCCCO2)c1 69702530 VDYGIRAUCYLGLR-CQSZACIVSA-N 327.402 1.462 0 40 EDAB COCCc1noc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)n1 69869506 BTWVWOQCPAEPRD-AWEZNQCLSA-N 334.424 1.379 0 40 EDAB CCN(CC)C(=O)CS(=O)(=O)c1cc(OC)c(OC)cc1C 69885608 SWNSPTYYLJVIDH-UHFFFAOYSA-N 329.418 1.654 0 40 EDAB COc1ccc(S[C@@H](C)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 83927544 RYKIXAYODIASSK-NWDGAFQWSA-N 336.413 1.839 0 40 EDAB CN1CC[C@H]2[C@H](CCCN2C(=O)NCc2cccc(C(N)=O)c2)C1 97049196 WRWHRCWFKGENEJ-CVEARBPZSA-N 330.432 1.411 0 40 EDAB C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC[C@H](c3ccn[nH]3)C1)CS2 72282851 HGYPQAXPBJKPOJ-RBOXIYTFSA-N 334.445 1.570 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3nnsc3Cl)CCO2)n1 72253458 WQYQHVBNOJOCLC-SNVBAGLBSA-N 328.829 1.301 0 40 EDAB NC(=O)[C@@H](N[C@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1 72276655 YOJSKRWFIVCOKW-HOCLYGCPSA-N 329.379 1.401 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)[C@H]1CC(=O)Nc3cc(F)ccc31)CC2 97198772 QJOGVSXYRDGCPE-AAEUAGOBSA-N 343.362 1.283 0 40 EDAB Cc1c(C(=O)NCCc2ccco2)cnn1[C@H]1CCS(=O)(=O)C1 95950131 OLKKPWIDUHECMJ-LBPRGKRZSA-N 337.401 1.117 0 40 EDAB CC[C@@H](C(=O)/N=c1\[nH]nc(Cc2cccc(F)c2)[nH]1)N1CCCC1=O 95992894 ADEGAVLORMFJGV-ZDUSSCGKSA-N 345.378 1.296 0 40 EDAB FC(F)(F)c1ccnc(N2CCN(CCCn3ccnc3)CC2)n1 95987245 VWDCKQQYPMZQRI-UHFFFAOYSA-N 340.353 1.904 0 40 EDAB Cc1noc(C)c1CNC(=O)CCn1c(=O)n(C)c2ccccc21 95955227 DDVNWYJRKFVYBC-UHFFFAOYSA-N 328.372 1.651 0 40 EDAB O[C@H](CN(Cc1ccccc1)c1ccc2nnnn2n1)c1ccco1 95972269 OKUFJZLAPJGPQV-CQSZACIVSA-N 336.355 1.853 0 40 EDAB C[C@@H](NC[C@@H]1COC(C)(C)O1)c1ccc(S(=O)(=O)N(C)C)cc1 95943523 PCLNZQJLQKDCFQ-TZMCWYRMSA-N 342.461 1.739 0 40 EDAB COC(=O)Nc1cccc(C(=O)NC2(C(=O)O)CCSCC2)c1 95989712 AKROGTOIQAEOGH-UHFFFAOYSA-N 338.385 1.945 0 40 EDAB COc1ccc(C(=O)COC(=O)[C@@H]2CCCC[C@@H]2C(N)=O)cc1OC 89459818 ASRYEOCXSPAPQS-QWHCGFSZSA-N 349.383 1.721 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)N[C@H]1CCCN(c2ncccn2)C1 89544509 ULTHNSKPRJGEIP-HNNXBMFYSA-N 343.435 1.409 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75124272 YAGQDPJTUGDDSX-WCBMZHEXSA-N 334.294 1.916 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)COc2c(C)cccc2C)CC1 23211854 XUUANIBCZWYFCE-INIZCTEOSA-N 336.432 1.817 0 40 EDAB CCC(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)CC1 72228519 LKBUYIKDCNUIEZ-ZDUSSCGKSA-N 345.399 1.183 0 40 EDAB O=C1NCCN1C1CCN(C[C@H](O)COCc2cccs2)CC1 69810205 VVRLASLRDXQDLI-AWEZNQCLSA-N 339.461 1.115 0 40 EDAB CCOC[C@@H]1CCN(CC2CC2)C2(C1)CN(C(=O)c1cnccn1)C2 306127036 FMCVDVJWRZOHSI-MRXNPFEDSA-N 344.459 1.830 0 40 EDAB Cc1noc([C@H]2C[C@H](O)CN2C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 519071714 BRLFNFMVALUQHV-MRTXSQPYSA-N 348.403 1.153 0 40 EDAB CCc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)cc1 211098297 NMEYZTXWZWXUKO-UHFFFAOYSA-N 334.445 1.892 0 40 EDAB O=C(NCc1cccs1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217736964 IMFOJNFLGHMPGI-OKILXGFUSA-N 345.424 1.593 0 40 EDAB COCCCNC(=O)C(=O)Nc1ccc(Br)cc1C 42646253 NSGIVLMSPSLVOJ-UHFFFAOYSA-N 329.194 1.849 0 40 EDAB O=C1CNc2ncnc(N3CCN(c4ccc(F)cc4)CC3)c2N1 41120968 BJEOYFIDDKYZNE-UHFFFAOYSA-N 328.351 1.306 0 40 EDAB O=C(c1nnn(-c2ccccc2)n1)N1CCN(c2ccccc2)CC1 75163278 FICSZCNYAMUJJF-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(OC)ccc1O2 225821362 WOQILLADFYBVPG-UHFFFAOYSA-N 339.413 1.845 0 40 EDAB Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@@H]3CN(C)CCO3)cc2)n1 85293896 BITUURYSCNFCOQ-YJBOKZPZSA-N 342.443 1.997 0 40 EDAB Cc1cc(=O)n2nc(CN3CCOC[C@@H]3c3cccn3C)sc2n1 131861298 LHASLYUXNPSBRF-CYBMUJFWSA-N 345.428 1.371 0 40 EDAB O=C(c1ccno1)N1CCC[C@]2(C[C@H](Oc3ncccn3)CO2)C1 96073679 OXGVGSMODGJWFO-LRDDRELGSA-N 330.344 1.307 0 40 EDAB COCCO[C@H]1CCN(Cc2nccs2)[C@H]1Cc1cnn(C)c1 96200642 JKPSWVWPAQQWKR-GJZGRUSLSA-N 336.461 1.725 0 40 EDAB CN1CCN([C@H]2COC3(CCN(C(=O)c4ccncc4)CC3)C2)CC1 96048856 YSAKQKWVNIYJMU-QGZVFWFLSA-N 344.459 1.093 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3cc(F)ccc3F)C2)cn1 96410803 OAEHKAQNAHWGOC-LLVKDONJSA-N 349.341 1.032 0 40 EDAB O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccc(F)c(F)c1F 96420339 UGRPOSOEDJHKJQ-GZMMTYOYSA-N 330.306 1.710 0 40 EDAB Cc1noc(-c2cccnc2N2CC[C@@H](CN3CCOCC3)C2)n1 96429720 BYQNKRKDMUBVST-AWEZNQCLSA-N 329.404 1.599 0 40 EDAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)S(C)(=O)=O)c1 330695589 DGTDAHISBIKPPD-RISCZKNCSA-N 341.429 1.800 0 40 EDAB C[C@@H]1CN(C(=O)CNC(=O)c2ccc(F)cc2F)C(C)(C)CO1 97095702 JCKYPTGGEJNGMS-SNVBAGLBSA-N 326.343 1.721 0 40 EDAB CC(=O)N1CCC2(CC1)OCC(=O)N(Cc1csc(C)n1)[C@@H]2C 96201594 PECFIRIKQBCAQV-LLVKDONJSA-N 337.445 1.580 0 40 EDAB C1CO[C@@H](COCCN2CCC(CCN3CCOCC3)CC2)C1 96421084 PJZFZDPNVFKYLN-GOSISDBHSA-N 326.481 1.616 0 40 EDAB O=C(NC1CC1)[C@H]1CO[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@@H]21 96219478 NHPMUCLISXWLBN-ZIFCJYIRSA-N 337.423 1.960 0 40 EDAB C[C@@H]1c2ncc(COCc3cccnc3)n2CCN1C(=O)CN(C)C 96206385 QWZSFFCOXBDHEW-CQSZACIVSA-N 343.431 1.460 0 40 EDAB Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@H](C)NCc1ccco1 96476327 MKCGUVJONHHDHK-LLVKDONJSA-N 325.434 1.988 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)NC2CCCC2)cc1OC 242911727 GTPWNMRJKTXFQE-UHFFFAOYSA-N 342.417 1.041 0 40 EDAB Cc1cc(-c2ccc(C[C@H]3CCN(S(=O)(=O)N(C)C)C3)cn2)[nH]n1 257244886 INFKUCPJNIZPCG-CQSZACIVSA-N 349.460 1.451 0 40 EDAB CO[C@](C)(C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)c1ccccc1F 585086026 VUUGFDZOOVBKNL-IYOUNJFTSA-N 336.407 1.355 0 40 EDAB CCn1cc(S(=O)(=O)N[C@H](C)c2nc(C(F)(F)F)no2)cn1 585114455 BDUVEQYNDAAMQD-ZCFIWIBFSA-N 339.299 1.344 0 40 EDAB COc1cc(F)c(F)cc1NC(=O)N1CC(N2CCNC2=O)C1 585119869 XYPGAPSPJAIYRQ-UHFFFAOYSA-N 326.303 1.215 0 40 EDAB Cc1cc(C(=O)NCc2cnn(C)c2C)cc(NCC(F)(F)F)n1 585131621 AXFGXPWAPJUEJY-UHFFFAOYSA-N 341.337 2.336 0 40 EDAB Cc1cc(C(=O)NCCn2nnc3ccc(F)cc3c2=O)c(C)o1 253404640 RFYHQXUTZZQARU-UHFFFAOYSA-N 330.319 1.570 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)[C@H]1COCCN1CC(F)(F)F 252480169 BXHDZUXOJVKPKU-CHWSQXEVSA-N 332.322 1.099 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2Cc2nc3ccccc3n2C)n1 257229972 GAELBIIQKHBXPD-MRXNPFEDSA-N 339.399 1.951 0 40 EDAB Cc1cc(C[C@@H]2COCCN(C(=O)CCn3ccc(C)n3)C2)ncn1 257264570 LVAYUXOALOTWLA-INIZCTEOSA-N 343.431 1.398 0 40 EDAB O=C(CCN1CCc2ccccc21)N1CCOC[C@H]1c1ccn[nH]1 257242250 IBRCHMIAECPBLR-KRWDZBQOSA-N 326.400 1.762 0 40 EDAB CCc1nccn1CC(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257262483 LLOBZGUZOROLCF-AWEZNQCLSA-N 329.404 1.794 0 40 EDAB CC(C)c1cc(NC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)no1 266362412 HFWTVQLDKTYKBI-NSHDSACASA-N 346.391 1.849 0 40 EDAB CN1C(=O)C[C@H](NC(=O)[C@@H]2CSCCS2)[C@H]1c1cccnc1 1615586667 QHCOXGMDWNHPQE-SGMGOOAPSA-N 337.470 1.318 0 40 EDAB Cc1ccccc1C[C@@H](C)C(=O)N1CCC2(CC1)OCC(=O)N2C 1615592414 TXMDULCFTKURLT-OAHLLOKOSA-N 330.428 1.981 0 40 EDAB Cc1ccnc2nc(C(=O)N3CCO[C@@H](C)[C@H]3C(F)(F)F)nn12 606444753 XSAKAEQRIVAETB-IUCAKERBSA-N 329.282 1.225 0 40 EDAB COc1nn(C)cc1C(=O)N1CC[C@H](Oc2ccncc2Cl)C1 575605214 HWLQPHZZMNQGFE-JTQLQIEISA-N 336.779 1.771 0 40 EDAB Cc1ccc(C(=O)N(C)C2CN(c3ccc4nncn4n3)C2)s1 585592586 JSKIQBKZGUBGHS-UHFFFAOYSA-N 328.401 1.455 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)Cc4ccn(C)n4)C[C@H]3C2)cs1 585107588 JMFCDNPYZUAMLS-OKILXGFUSA-N 345.472 1.318 0 40 EDAB O=C(C1CC(O)C1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 585100897 ARHRKXUWDBLXSB-RJYAGPCLSA-N 343.427 1.194 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)NC[C@H]2CC2(Cl)Cl)c1F 906818674 LIDWXWFEKFVGJG-ZCFIWIBFSA-N 342.175 1.996 0 40 EDAB O=C(CN1CCN(CCN2CCCCC2)CC1)NCc1ccccc1 69950835 UOYUAPAYFXIPDC-UHFFFAOYSA-N 344.503 1.406 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)NCC2(O)CCOCC2)cc1 70638951 NHJKCLKWQMNZRI-UHFFFAOYSA-N 327.446 1.804 0 40 EDAB CN(C)c1cccc(C(=O)N2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)c1 1066004348 DYCRGHWYZXTGMZ-IYBDPMFKSA-N 337.427 1.751 0 40 EDAB NS(=O)(=O)c1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 55493867 KTJQKDBNTDBXLN-UHFFFAOYSA-N 347.421 1.788 0 40 EDAB CC(=O)NC(C)(C)c1noc(-c2cn(-c3ccc(F)cc3)nn2)n1 84752710 IFGCQFTXAFLNDO-UHFFFAOYSA-N 330.323 1.828 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 85472073 BNVXIPBLDFFKMU-CQSZACIVSA-N 327.388 1.095 0 40 EDAB Cc1ccc(NCC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1Cl 89643356 ODHXXVZVYFRWCI-LLVKDONJSA-N 330.837 1.611 0 40 EDAB O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CC[C@@H](CO)C1 108376400 BZKQKTFRMJPMDD-VCTAVGKDSA-N 326.343 1.819 0 40 EDAB COc1ccccc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 824827481 BFPFOZPMRPSDQG-STQMWFEESA-N 348.428 1.844 0 40 EDAB Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)nc1O 5045256 DOPSGGZIYSJQEW-UHFFFAOYSA-N 334.357 1.388 0 40 EDAB O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)NCc1ccco1 5155086 BXFOOKHJMVJKKB-UHFFFAOYSA-N 333.291 1.790 0 40 EDAB Cc1noc(C)c1C(=O)OCC(=O)NC[C@H]1COc2ccccc2O1 5216718 OEFNGTKIHSYWHT-LBPRGKRZSA-N 346.339 1.404 0 40 EDAB CC(C)N(C(=O)Cn1nc2c3ccccc3ncn2c1=O)C(C)C 12181804 HESRCYIMLHOFMW-UHFFFAOYSA-N 327.388 1.690 0 40 EDAB COc1ccccc1CNC(=O)C[C@H]1CSc2nc(C)cc(=O)n21 12236416 QUJRNSJQRCQYGF-ZDUSSCGKSA-N 345.424 1.914 0 40 EDAB CS(=O)(=O)c1cccnc1[C@@H]1CCCN(C(=O)c2ccccn2)C1 19573513 SWZRTEPGUKJDBY-CYBMUJFWSA-N 345.424 1.900 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@@](O)(c2cccs2)C2CC2)cn1 206700875 PULAQPMEFCSPED-ZDUSSCGKSA-N 327.431 1.058 0 40 EDAB Cc1noc(C)c1C(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1 225790383 XYGAUTKNPHBLPP-UHFFFAOYSA-N 341.415 1.923 0 40 EDAB O=C(NCCOCCn1cncn1)C1(c2ccccc2)CCOCC1 585150356 BKQQPLQVRIJKMR-UHFFFAOYSA-N 344.415 1.159 0 40 EDAB O=C([C@@H]1CN(Cc2cc(F)ccc2F)CCO1)N1CCSCC1 1888906236 OXOYOYHRJWHKSD-HNNXBMFYSA-N 342.411 1.741 0 40 EDAB Cc1cc(CC(=O)N2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)on1 2037984796 OEFLDPORVCAFML-QGZVFWFLSA-N 335.404 1.011 0 40 EDAB CCn1cc(C(=O)N2CCO[C@@]3(CCCCN(C)C3=O)C2)c(C)n1 2037985702 SQVLMIAJNYJXLL-KRWDZBQOSA-N 334.420 1.065 0 40 EDAB O=C(c1csnn1)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 1565549485 SDOQZDWLUQXWSI-SGMGOOAPSA-N 332.385 1.384 0 40 EDAB O=S(=O)(NCc1nnnn1-c1ccccc1)c1ccccc1Cl 9571177 TWPRDFFMTBFZQW-UHFFFAOYSA-N 349.803 1.794 0 40 EDAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)on2)N(C)C)cc1 10331910 LYJWMFQFEIOMGV-CQSZACIVSA-N 330.388 1.649 0 40 EDAB Cc1c(CN[C@H]2CCc3onc(CN4CCOCC4)c3C2)cnn1C 2055734684 LOBDMJMTJHURGO-HNNXBMFYSA-N 345.447 1.196 0 40 EDAB Cc1cccn2c(=O)cc(OCC(=O)NCc3ccc(F)cc3)nc12 23141379 HEFKCLJYURDLIB-UHFFFAOYSA-N 341.342 1.837 0 40 EDAB CC(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2 23139427 GKSHVCMZMMVXFU-UHFFFAOYSA-N 330.413 1.905 0 40 EDAB O=C(Cn1nc(C2CC2)ccc1=O)Nc1cccc2nsnc12 575618577 DSWDCLVAOGCKOV-UHFFFAOYSA-N 327.369 1.764 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)c3ccc4ncsc4c3)C2)n1 585603441 UZMPAOUAKGJXPA-UHFFFAOYSA-N 340.408 1.934 0 40 EDAB O=C(NC[C@]1(OCCO)CCOC1)c1ccc(Cl)cc1Cl 617717591 KATZXQCYDNAVKO-CQSZACIVSA-N 334.199 1.891 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1 585148742 FMWSVSPKNYHBKQ-UHFFFAOYSA-N 332.385 1.287 0 40 EDAB Cc1nccc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)n1 2298045491 KKTFTNRQNWIEHA-UHFFFAOYSA-N 338.415 1.855 0 40 EDAB Cc1nc(N2CCN([C@H]3CCCC[C@H]3O)CC2)cc(-n2cccn2)n1 2298178983 HKPIAHBEPPQUGR-JKSUJKDBSA-N 342.447 1.396 0 40 EDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)C3CC3)C2)n(C(C)C)n1 2332241596 LTIAJCOLOXNKOM-IACUBPJLSA-N 342.465 1.246 0 40 EDAB COc1ncccc1CNC(=O)C[C@@H](NC(N)=O)c1ccccc1F 30303938 NVBKEDNWSNPFAV-CQSZACIVSA-N 346.362 1.645 0 40 EDAB COc1cc(C)c(S(=O)(=O)NC[C@@H](C)N2CCOCC2)c(C)c1 30338057 QHKALZFJQMFYGD-CQSZACIVSA-N 342.461 1.311 0 40 EDAB CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O 100060187 CJDRUOGAGYHKKD-BAXQIEGASA-N 326.440 1.555 0 40 EDAB in-vitro C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2)C[C@@H](C)O1 31093632 KCPYUXYDBVRMJR-CHWSQXEVSA-N 341.433 1.247 0 40 EDAB CCOc1ncccc1CNC(=O)c1ccc2c(c1)OCC(=O)N2 31325234 LIINFUAXVZEKSI-UHFFFAOYSA-N 327.340 1.741 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CCCN1C(=O)c2ccccc2C1=O 40462455 DVATVWUHTCHLLO-UHFFFAOYSA-N 341.367 1.537 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)c1ccc(C(F)(F)F)nc1 40540907 XQHJFEFMQVUPFQ-UHFFFAOYSA-N 325.294 1.910 0 40 EDAB COc1cccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 40515772 GPIWDBOTXXBKNV-GFCCVEGCSA-N 326.418 1.097 0 40 EDAB O[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)CN1CCCCC1 52131475 PYMMTTBBZTUITF-SNVBAGLBSA-N 344.341 1.402 0 40 EDAB CN(CCOc1ccccc1F)C(=O)/C=C/C(=O)N1CCOCC1 32787919 GOWPRGADARULAQ-VOTSOKGWSA-N 336.363 1.078 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1NC(=O)Cc1cccc(F)c1 32850770 TWYIFLZCGSLMNR-UHFFFAOYSA-N 338.360 1.663 0 40 EDAB CCOC(=O)N1CCN(C(=O)C[C@@H](NC(C)=O)c2ccccc2)CC1 32999913 HMWRWIXZSIGELF-MRXNPFEDSA-N 347.415 1.555 0 40 EDAB CCOC(=O)N[C@@H](C(=O)N1CCN(c2nccs2)CC1)C(C)C 32912202 BCBZNIXLDSODIW-GFCCVEGCSA-N 340.449 1.562 0 40 EDAB O=C(C[C@@H]1C=CCC1)NCCS(=O)(=O)N1CCc2ccccc21 32915284 MPPHIRBVURGVOB-CQSZACIVSA-N 334.441 1.851 0 40 EDAB C[C@@H]1CN(C(=O)CCn2nc(-c3cccs3)oc2=O)C[C@@H](C)O1 52735132 XEKBWBPFCZYSAW-GHMZBOCLSA-N 337.401 1.591 0 40 EDAB COc1ccc(CCNC(=O)Cc2nc3nc(C)cc(O)n3n2)cc1 102732980 OJZQOYAEGOQTSV-UHFFFAOYSA-N 341.371 1.048 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 22189614 DEFNXYOIKVIGQR-VXGBXAGGSA-N 326.418 1.153 0 40 EDAB O=C1C[C@H](C(=O)N2CCO[C@@H]3CCC[C@@H]32)CN1Cc1ccccc1 53381275 SSIVMORNXWUMNP-YESZJQIVSA-N 328.412 1.815 0 40 EDAB CC[C@](C)(CNC(=O)N(C)Cc1c(C)noc1C)N1CCOCC1 46940824 VCLTXJLWPVGPBW-QGZVFWFLSA-N 338.452 1.934 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)N(C[C@H]1CCOC1)C1CC1 46939074 HXFOTTGXHOERKR-GFCCVEGCSA-N 347.440 1.876 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3nnc4n3CCC4)CC2)on1 47258600 HJDREDSQRJMWGB-GFCCVEGCSA-N 344.419 1.727 0 40 EDAB C[C@H](CNC(=O)NCC(=O)N1CCCCC1)N(C)Cc1ccccc1 78925002 CPSTWWSRWHJNRS-MRXNPFEDSA-N 346.475 1.819 0 40 EDAB CS(=O)(=O)NCCCNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 79043455 JMVMPIVJWKPGDI-RYUDHWBXSA-N 332.372 1.124 0 40 EDAB O=C(O)CCSc1nc2c(=O)[nH][nH]c(=O)c2n1Cc1ccccc1 1598432 TYRCTZGCLVVXNK-UHFFFAOYSA-N 346.368 1.028 0 40 EDAB CCN(CC(=O)N[C@H](C)C(=O)NCC(F)(F)F)c1ccccc1 54115309 FENIZMPEBVCZAY-LLVKDONJSA-N 331.338 1.696 0 40 EDAB O=C(NCCCN1CCCC1=O)c1ccc(Cn2ccccc2=O)o1 23187018 NMBNSESFQKMWHW-UHFFFAOYSA-N 343.383 1.232 0 40 EDAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC(C1CC1)C1CC1 54365565 ASFRYODBWMYWAG-UHFFFAOYSA-N 338.411 1.988 0 40 EDAB C[C@@H](NC(=O)c1cccs1)C(=O)NCc1cn2ccccc2n1 23754551 PFEDGVWSNNOANP-LLVKDONJSA-N 328.397 1.831 0 40 EDAB COC(=O)[C@]12C(=O)N[C@@H](Cc3ccccc3)[C@@H]1[C@@H](C)C(C)=C[C@H]2CO 6415478 QPXYJXNTJAUDTG-ZZKADIETSA-N 343.423 1.708 0 40 EDAB Cc1ccccc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 6881621 BUPZOCNGZXKYHH-UHFFFAOYSA-N 325.324 1.960 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 8241369 KNUVAFXUFPAVIJ-BXUZGUMPSA-N 326.393 1.315 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C[C@H]1N1CCOCC1 107057475 FARYAXYOIADEOH-SRCQZFHVSA-N 334.391 1.308 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccncc2)C1=O 26001229 JUBNIUCVPFLJHT-KSSFIOAISA-N 342.399 1.466 0 40 EDAB CCCn1c(=O)c2ccccc2n(CC(=O)N2CCCC[C@H]2C)c1=O 57477491 ARYIKHKVKYSYEJ-CQSZACIVSA-N 343.427 1.974 0 40 EDAB CC(C)n1ncc2cc(/C=C/C(=O)NCc3cnn(C)c3)c(=O)[nH]c21 84633052 YCHRNONUHWNFDU-SNAWJCMRSA-N 340.387 1.369 0 40 EDAB COc1ccccc1COC[C@@H](O)Cn1cnc2ccccc2c1=O 12784002 QQQBGXNJHNYBBB-HNNXBMFYSA-N 340.379 1.983 0 40 EDAB CCn1c(=O)[nH]c(=O)c2c(-c3ccc(OC)c(OC)c3)ccnc21 10157259 ICERXQFUNCYWKK-UHFFFAOYSA-N 327.340 1.789 0 40 EDAB O=C1NC(=O)C2(CCC(C(=O)Oc3ccc4ccncc4c3)CC2)N1 89780930 DIVJUGIROOHFMH-UHFFFAOYSA-N 339.351 1.909 0 40 EDAB COC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 27562574 QKTATHNMXAOJNC-ZDUSSCGKSA-N 335.791 1.875 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)c1ccc[nH]c1=O)N1CCCC1 27572246 DCTYEYGOFHQVQN-MRXNPFEDSA-N 341.411 1.950 0 40 EDAB Cc1nc([C@@H](NC(=O)c2ccc(C(N)=O)o2)c2ccccc2F)no1 89718126 TUBCAUPIVDSESJ-ZDUSSCGKSA-N 344.302 1.728 0 40 EDAB CN1CCN(C(=O)c2nnc3sc(-c4cccc(F)c4)nn23)CC1 57354681 VBQRUCIQSBKLPM-UHFFFAOYSA-N 346.391 1.380 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N(C)CC(C)(C)O 89895960 QUQUENKIQNBAGR-MRXNPFEDSA-N 348.491 1.609 0 40 EDAB Cc1noc(CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)n1 44907248 KNVRZYYZQHTXDD-MRXNPFEDSA-N 326.400 1.927 0 40 EDAB O=C(NCCCN1CCCC1=O)NCc1ccc(-c2ccn[nH]2)cc1 44966287 PSMUDBFFFUPLTO-UHFFFAOYSA-N 341.415 1.888 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(-n2cccn2)cc1 44977776 AETOGJCYDGGNMT-ZDUSSCGKSA-N 338.367 1.900 0 40 EDAB COCCn1nc(C(=O)NCC2(c3ccc(F)cc3)CC2)ccc1=O 44954914 JUXQJHHMBZDWRK-UHFFFAOYSA-N 345.374 1.490 0 40 EDAB Cc1nc(CN(C)C(=O)CN(C)c2ncnc3[nH]cnc23)cs1 58342406 ICVDDLMZMBEWEP-UHFFFAOYSA-N 331.405 1.213 0 40 EDAB O=C(NCCCN1CCCC1=O)c1cn(-c2ccccc2Cl)nn1 58343705 CJDYRYMAMVNNDK-UHFFFAOYSA-N 347.806 1.663 0 40 EDAB Cc1c(C(=O)NC[C@H]2CN(C)CCO2)cnn1-c1ccc(F)cc1 58330975 UIRCAUPEAXMLLH-HNNXBMFYSA-N 332.379 1.380 0 40 EDAB CN(C)c1cccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1 3399998 DIUYFPWJAXMFLP-UHFFFAOYSA-N 347.396 1.709 0 40 EDAB COc1ccc(-n2ncc3c(NCCOCCO)ncnc32)cc1 2366851 CTDRDYBHBQFQKF-UHFFFAOYSA-N 329.360 1.245 0 40 EDAB CN(C)c1ncccc1CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 48365538 KYWXHHXBGRAMJE-JKSUJKDBSA-N 326.400 1.605 0 40 EDAB COCCOCCCNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 59037375 WEACGFNEWJDFSS-UHFFFAOYSA-N 347.415 1.334 0 40 EDAB Cc1nc(-c2ccsc2)ccc1C(=O)N1CCN(CCO)CC1 75604768 BGEPTVVRBKLMQF-UHFFFAOYSA-N 331.441 1.869 0 40 EDAB O=C(Nc1ccccc1Cn1cccn1)N[C@H]1CCS(=O)(=O)C1 48312718 PXFJYMVNZVOKQX-ZDUSSCGKSA-N 334.401 1.240 0 40 EDAB C[C@H](Oc1ccc(Br)cc1F)C(=O)N1CCNC(=O)C1 48315561 UYVIFELLFNJNPI-QMMMGPOBSA-N 345.168 1.314 0 40 EDAB Cn1c(COC(=O)c2ccc(Cl)cc2F)cc(=O)n(C)c1=O 45660707 MSYOPOPTPQMZOM-UHFFFAOYSA-N 326.711 1.234 0 40 EDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1F 45896109 UERDMGKXCMAXRP-ZDUSSCGKSA-N 333.323 1.291 0 40 EDAB Cc1ccc(C)c(C(=O)Nc2nnc(NS(C)(=O)=O)s2)c1 59921952 YOWXUXJQCVWRCQ-UHFFFAOYSA-N 326.403 1.779 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccc4nccn4c3)CCO2)n1 76046123 ORPPCRHPXJKMSW-ZDUSSCGKSA-N 340.387 1.619 0 40 EDAB CCCOc1cccc(NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 29641566 RNBOUXVRBTUTAQ-CYBMUJFWSA-N 326.418 1.191 0 40 EDAB CCc1ccc(OC[C@@H](O)CN2C(=O)[C@@H]3CCCCN3C2=O)cc1 12856239 VJPHOEOCRGIBGX-HOCLYGCPSA-N 332.400 1.805 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCN(c2cnccn2)CC1 46829838 KJNIMTBODGVUAD-CVEARBPZSA-N 347.463 1.904 0 40 EDAB CCCN1CCc2c(sc3c2c(NCCOC)nc2nnnn23)C1 20533278 GOWJJXVIRARYPL-UHFFFAOYSA-N 347.448 1.560 0 40 EDAB C[C@@H]1CN(S(=O)(=O)CCNCc2ccccc2Cl)C[C@@H](C)O1 48783184 SZNYTSITFUFRFF-CHWSQXEVSA-N 346.880 1.869 0 40 EDAB O=C(O)c1nccnc1C(=O)NCc1noc(-c2ccccc2)n1 71284876 QRYUIJKMUORLLV-UHFFFAOYSA-N 325.284 1.155 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C(=O)[C@@H]12 409287145 SOCSTSAMTPGLPP-CGAUSGRBSA-N 331.368 1.047 0 40 EDAB COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccccn1 5072081 NBQLTNWTXVALTM-JTQLQIEISA-N 330.369 1.832 0 40 EDAB C[C@H](CC(=O)N1CCOCC1)NC[C@H]1CCO[C@@H]1c1ccccc1 95423211 CQXFVIHIKOGQDY-SZVBFZGTSA-N 332.444 1.991 0 40 EDAB O=C(NC[C@H]1CCCN1CCc1ccccc1)NCC1(O)CCC1 95409054 LOTOHGHRJVECSV-QGZVFWFLSA-N 331.460 1.908 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccc(OCC(F)(F)F)nc1 65463186 KKJBFRHTDIMNGT-LLVKDONJSA-N 340.305 1.964 0 40 EDAB CCCC(=O)N1CCC(C(=O)NCCNC(=O)OC(C)(C)C)CC1 65441007 OJZPUQZZVKMPAE-UHFFFAOYSA-N 341.452 1.666 0 40 EDAB CC(=O)NCCNC(=O)C1CCN(Cc2ccc(Cl)s2)CC1 65407525 XNBOVWNJWJNAPO-UHFFFAOYSA-N 343.880 1.866 0 40 EDAB COc1ccc([C@H](C)N(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 65415587 SBTIJRRTULOTSC-NSHDSACASA-N 327.388 1.858 0 40 EDAB CSc1ncccc1C(=O)O[C@H](C)c1nc(N)nc(N(C)C)n1 14094291 VRUUMZNAIADBJV-MRVPVSSYSA-N 334.405 1.555 0 40 EDAB COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3cc(C)on3)c2c1 9304312 DQQXLWLJLYGZMN-UHFFFAOYSA-N 342.355 1.770 0 40 EDAB CCC[C@@H](C)N1C[C@@H](C(=O)Nc2cnn(CCN(C)C)c2)CC1=O 65611995 YKSZAOZXDVDFQR-KGLIPLIRSA-N 335.452 1.420 0 40 EDAB CCc1cc(CNC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)on1 95428267 HCAUUZQRTQFOPA-IUODEOHRSA-N 347.419 1.626 0 40 EDAB Cc1ccc(N2C(=O)N(CC(=O)NC[C@@H]3CCCO3)C(=O)[C@H]2C)cc1 6582471 XLGQCGYCSVMOON-HIFRSBDPSA-N 345.399 1.447 0 40 EDAB NC(=O)C1CCN(C(=O)COC(=O)c2cc3ccccc3[nH]2)CC1 5532493 WKFSEAIQKPIOTJ-UHFFFAOYSA-N 329.356 1.049 0 40 EDAB C[C@H]1CN(C(=O)NCCc2cccnc2)CCN1CC(F)(F)F 95447173 AJNBYNYKKFVXNM-LBPRGKRZSA-N 330.354 1.902 0 40 EDAB COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1cn(C)c(C)n1 95443827 OQGGFALKOVMMII-BXUZGUMPSA-N 329.422 1.129 0 40 EDAB COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)n[nH]c1C 95480651 OMZVHHNLVIBDFO-LLVKDONJSA-N 348.355 1.899 0 40 EDAB CCc1cc(CNC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)on1 95428264 HCAUUZQRTQFOPA-WFASDCNBSA-N 347.419 1.626 0 40 EDAB O=C(NC1=NCCS1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 7166586 DVSGXNDEGZLDQS-JTQLQIEISA-N 347.396 1.030 0 40 EDAB Cc1cc(C)c2c(OCC(=O)N3CCOCC3(C)C)nn(C)c2n1 67818322 NGZARAAWSPQAQA-UHFFFAOYSA-N 332.404 1.601 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)NCC[S@](=O)c1ccccc1 71896487 HSQSOHYRCCAPLH-OAQYLSRUSA-N 343.470 1.268 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 71827297 IQZWBRZZQRBRHZ-PXTSUWAFSA-N 332.400 1.449 0 40 EDAB Cc1nc2ccnn2c(C)c1CCC(=O)N1CCN(C2CC2)CC1 71836640 PCGIRLFWOXAWMY-UHFFFAOYSA-N 327.432 1.585 0 40 EDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cccc(-n2cnnn2)c1 71853890 NYTWGJHODRLKEX-OAHLLOKOSA-N 342.403 1.135 0 40 EDAB COc1ccccc1OCCNC(=O)c1ccccc1-n1cnnn1 68756159 RBVBSRASHXJWSE-UHFFFAOYSA-N 339.355 1.480 0 40 EDAB Cn1c(=O)c2c(ncn2CC(=O)c2ccc(Cl)s2)n(C)c1=O 8012125 DGZQNTWFNOWEEW-UHFFFAOYSA-N 338.776 1.032 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cccnc2N2CCOCC2)cn1 69166624 CAWWRKODQYIKAC-UONOGXRCSA-N 327.388 1.394 0 40 EDAB COC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C(C)=O)c2)CC1 70007968 WJAXEQWRPBZIHT-UHFFFAOYSA-N 347.371 1.128 0 40 EDAB CN(C)CCN(C(=O)CS(=O)(=O)C1CCCC1)C1CCCC1 71903969 ZZOJVINJDIRRSO-UHFFFAOYSA-N 330.494 1.677 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(CC(=O)Nc3ccncc3)CCO2)n1 69349901 KASVGQZYRSYXGS-INIZCTEOSA-N 329.404 1.234 0 40 EDAB Cc1noc([C@@H](C)N2CCN([C@H](C)C(=O)NCC(F)(F)F)CC2)n1 69437155 CAOZONBYJAFSCH-NXEZZACHSA-N 349.357 1.124 0 40 EDAB CCOC(=O)Nc1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1 69587763 UCNZTVJJGLKFPC-UHFFFAOYSA-N 341.389 1.517 0 40 EDAB CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(CC(N)=O)cc1 69563758 AZEYXPDAKPHMKF-CYBMUJFWSA-N 349.456 1.601 0 40 EDAB COC(=O)c1ccc(C(=O)N[C@@H]2CCCN(C(=O)OC)C2)s1 69559148 HXRYDBMZHACHPO-SECBINFHSA-N 326.374 1.495 0 40 EDAB COc1ccc(CN(C)C(=O)CN2CCc3c(ncn3C)C2)cc1 69632927 WALMPJUCXJEHKB-UHFFFAOYSA-N 328.416 1.445 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCn2c(nnc2C(C)C)C1 69626798 VPCQFMQHOIBCQH-NSHDSACASA-N 330.436 1.898 0 40 EDAB CC(C)[C@@H](C)NC(=O)CNc1ccccc1C(=O)N1CCC[C@H]1CO 69813317 MWKFQZIXHVSAFI-CABCVRRESA-N 347.459 1.856 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C/c1cscn1 69813508 FKQKAURYOIGMGI-UZYOAWRESA-N 336.461 1.215 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3cn4cccc(C)c4n3)CCO2)n1 72267564 LYWFKKCPEBWKHL-QGZVFWFLSA-N 340.431 1.752 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCO1 72277875 XQRBTVHQYXJVOE-YNEHKIRRSA-N 327.425 1.863 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)N(Cc1ccsc1)C1CC1 72253278 SHNLMEDHIONDBA-MRXNPFEDSA-N 345.472 1.995 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(CC2(O)CCCCC2)C1 84281142 MUZCEVMIHPHOJP-HNNXBMFYSA-N 336.436 1.496 0 40 EDAB CCN(CC)C(=O)N1CCN(c2nc(N)c3ccccc3n2)CC1 95978484 KXEJBWNTEFXPCY-UHFFFAOYSA-N 328.420 1.796 0 40 EDAB O=C1[C@@H](N2CCS(=O)(=O)CC2)CCN1c1ccc(Cl)c(F)c1 95978675 NFGSLBTZGFGVGT-ZDUSSCGKSA-N 346.811 1.315 0 40 EDAB CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1ccccc1Cl 95978076 YQSUMWWELICJDS-UHFFFAOYSA-N 339.866 1.784 0 40 EDAB Cc1ccccc1NC(=O)CSc1nnc(CCC(=O)O)c(O)n1 26441768 CLCSSDZNATVOPO-UHFFFAOYSA-N 348.384 1.634 0 40 EDAB CSC[C@](C)(O)CNS(=O)(=O)c1cccc2cccnc12 178783199 XTLUZXBOXRVPTP-CQSZACIVSA-N 326.443 1.627 0 40 EDAB O=C(O)CCN(Cc1ccccn1)S(=O)(=O)c1cccc(F)c1 548543892 GMVJCHLBQPBBLK-UHFFFAOYSA-N 338.360 1.886 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCC[C@H]1c1ccncc1 42794376 GWVPSDICKSJFQM-AWEZNQCLSA-N 342.399 1.610 0 40 EDAB Cc1noc(CCCNC(=O)[C@@H]2CCCCN2Cc2cccnc2)n1 78928909 QOAPEYGVJXKZRZ-INIZCTEOSA-N 343.431 1.877 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCCc2ccccc2)[C@@H]1c1ccccc1 72238078 ZVIUOHLOJMQWFZ-RBUKOAKNSA-N 338.407 1.944 0 40 EDAB CCn1nc(C)cc1C(=O)N1CSC[C@@H]1C(=O)NCCC(C)C 78910734 GEXCYENZSXWAGO-CQSZACIVSA-N 338.477 1.889 0 40 EDAB CCOC(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 70933142 SHJSRAWVXZZHIW-UHFFFAOYSA-N 327.406 1.228 0 40 EDAB CCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)COC 217415194 HBVMUBUDVYHOCV-SNVBAGLBSA-N 330.406 1.520 0 40 EDAB Cc1nc(-c2cccs2)ccc1C(=O)NCC(=O)N1CCOCC1 182145985 DUUKJCTXUKYKBS-UHFFFAOYSA-N 345.424 1.707 0 40 EDAB Cc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(N2CCOCC2)n1 49411097 FHJVIJVBYFOUTP-UHFFFAOYSA-N 346.362 1.166 0 40 EDAB CC(C)CNc1ccc(C[C@@H]2CCCN(S(C)(=O)=O)C2)nn1 72387419 VBAQXBROLSJXNB-ZDUSSCGKSA-N 326.466 1.759 0 40 EDAB CC[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 77735455 HNDNPLVKAXIORR-MNOVXSKESA-N 333.367 1.896 0 40 EDAB Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(NC(=O)C2CC2)n(C)n1 46089091 DMMAZWYPRJQLBL-UHFFFAOYSA-N 344.419 1.391 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1c1cc(C(N)=O)[nH]n1 225552407 OLAAEOZVPPPDCD-OAHLLOKOSA-N 345.403 1.800 0 40 EDAB Cc1cc(F)ccc1CCNC(=O)N[C@@H](C)CN1CCN(C)CC1 87137923 IALOSESAQKGWDJ-HNNXBMFYSA-N 336.455 1.612 0 40 EDAB CCc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)cc1 75162127 VSJRNMPOTGTSCN-UHFFFAOYSA-N 348.428 1.676 0 40 EDAB CCCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 222999189 KISPZBLQUHKYSJ-UHFFFAOYSA-N 340.401 1.427 0 40 EDAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2ccccn2)C1 225504466 UPDZFUYVZBXYPH-CYBMUJFWSA-N 327.388 1.621 0 40 EDAB CC[C@](C)(NS(=O)(=O)c1cncc(C(=O)O)c1)c1nccs1 570713359 KIFNJYKRPHJSKO-ZDUSSCGKSA-N 341.414 1.840 0 40 EDAB CC(C)NC(=O)[C@@H](C)N1CCN(CCc2ccc3c(c2)CCO3)CC1 75715106 DOODGPDVYJFDBF-MRXNPFEDSA-N 345.487 1.695 0 40 EDAB Cc1cc(Br)ccc1NCC(=O)NC[C@@]1(O)CCOC1 225806060 AKIAFCFEZAKAMG-AWEZNQCLSA-N 343.221 1.437 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NCc1cnn2c1CCCC2 225608924 TURQAGLSHWULEU-UHFFFAOYSA-N 337.383 1.246 0 40 EDAB Cc1nc(C2CC2)ccc1C(=O)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1 578114143 GUFZNBOOGCSPAJ-SOLBZPMBSA-N 343.427 1.823 0 40 EDAB c1cnc(N2CC[C@@]3(COCCN(Cc4nccs4)C3)C2)nc1 96202297 RIRCTSSPYUZYJU-INIZCTEOSA-N 331.445 1.662 0 40 EDAB O=C1COC2(CCN(C[C@@H]3CCOC3)CC2)CN1Cc1cccnc1 96201420 HCZZXXBZQDCLQI-KRWDZBQOSA-N 345.443 1.312 0 40 EDAB COc1ccc(C[C@H]2CN(S(=O)(=O)N(C)C)CC[C@@H]2OC)cc1 96110585 QCGMPVBKHRZSKG-HOCLYGCPSA-N 342.461 1.381 0 40 EDAB Cc1ncccc1NC(=O)[C@H]1COC[C@H]2CN(c3ccncn3)C[C@H]21 96040775 ZUMIOTZNPSQHGI-KFWWJZLASA-N 339.399 1.518 0 40 EDAB CNc1ncnc2ncn(C[C@H](O)CN(C)Cc3ccccc3)c12 96407754 GCDNGCRDCORBTE-CQSZACIVSA-N 326.404 1.361 0 40 EDAB Cc1nc(CN2CCOC[C@]3(CCN(c4ncccn4)C3)C2)cs1 96062504 HPJCEZRLQUOAQH-QGZVFWFLSA-N 345.472 1.970 0 40 EDAB Cn1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1=O 96431997 PYLDZKDSEFHCDM-UHFFFAOYSA-N 330.359 1.960 0 40 EDAB Cn1nnnc1S[C@@H](C(N)=O)c1ccc(Br)cc1F 96422205 UNNXDQDEVDFAJW-MRVPVSSYSA-N 346.185 1.430 0 40 EDAB O=C(Cn1ccnc1)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 580496795 QTLSRIPDNGLNLV-INIZCTEOSA-N 348.834 1.726 0 40 EDAB C[C@H]1CN(CCC2CCN(CCS(C)(=O)=O)CC2)C[C@H](C)O1 96455931 ZBTBFNUUIVHOPU-GJZGRUSLSA-N 332.510 1.242 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)CC1CC1)C2 96237695 XCFAGHHQVYMFNC-QGZVFWFLSA-N 333.457 1.798 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)CC(C)C)C1 96244460 IAIOBGCNRXTDAM-GOSISDBHSA-N 332.448 1.897 0 40 EDAB O=C(CN1CCC(C(F)(F)F)CC1)NCc1nnc2ccccn12 96495798 HMUXTGRNCYZHND-UHFFFAOYSA-N 341.337 1.620 0 40 EDAB CCc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)[nH]n1 96436235 WGYXYHIMPCQHKQ-ZDUSSCGKSA-N 327.388 1.858 0 40 EDAB O=S(=O)(C1CC1)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 96058357 AGBGMBDUZRIDKY-BZSNNMDCSA-N 348.468 1.581 0 40 EDAB COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccco1 96061099 GUKHKHYHQPBKHD-ZDUSSCGKSA-N 328.376 1.302 0 40 EDAB COc1c(Br)c(C(=O)Nc2cc(C)nn2C)nn1C 96181020 PULZFKGGMYTIQH-UHFFFAOYSA-N 328.170 1.485 0 40 EDAB CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(CC1CC1)C2 96050167 AYWSDUBVSUWNJI-IBGZPJMESA-N 327.428 1.736 0 40 EDAB Cc1cc(C(=O)NCC(=O)Nc2ccc(N3CCCC3)cc2)n(C)n1 96192639 IPJXKRLUIDAVTB-UHFFFAOYSA-N 341.415 1.697 0 40 EDAB CN(CCN(C)C(=O)c1ccc(F)cn1)C(=O)c1ccc(F)cn1 96502427 DOQXBIGUQJTNLF-UHFFFAOYSA-N 334.326 1.599 0 40 EDAB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1C[C@H]2C[C@@H]2C1 585124047 MBWNEQANBLFGQP-FMKPAKJESA-N 334.441 1.708 0 40 EDAB COC(=O)Nc1cccc(OS(=O)(=O)C[C@]2(OC)CCOC2)c1 585115863 WMJRJNOMFMIQSA-AWEZNQCLSA-N 345.373 1.379 0 40 EDAB CC(C)C[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 585121105 GFAZMFXBLGAJSU-FZMZJTMJSA-N 337.395 1.350 0 40 EDAB Cc1ncoc1C(=O)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 248031230 LVZIZROAAAUYDI-GFCCVEGCSA-N 330.344 1.226 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)[C@H](C)c1c(C)nn(C)c1C 245339015 PYKBFQANJIRVOT-YSUGYHDXSA-N 333.432 1.844 0 40 EDAB CCc1noc(C)c1C(=O)NC[C@@]1(O)CCN(c2ccccn2)C1 257242149 IBHRMCJAHWNEEQ-KRWDZBQOSA-N 330.388 1.312 0 40 EDAB CCN(CC)c1cccc(Nc2nc(NCCO)nc(OC)n2)c1 255190187 VNDAMBBJUGZATR-UHFFFAOYSA-N 332.408 1.874 0 40 EDAB CC(=O)NCc1cnc([C@@H]2CN(C(=O)Cc3cccs3)CCO2)[nH]1 257275666 NQJBKEFGUPZKLE-AWEZNQCLSA-N 348.428 1.250 0 40 EDAB CN(C)Cc1cn(-c2ccccc2C(=O)N[C@@H]2CCCN(C)C2)cn1 257295325 QXWPQWPKYSZVQL-OAHLLOKOSA-N 341.459 1.758 0 40 EDAB Cc1nc2ccccn2c1CC(=O)N1CCOC[C@@H]1c1ccn[nH]1 257320449 VWWBQSLDZQELTP-OAHLLOKOSA-N 325.372 1.508 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CO[C@H](Cc1cnccn1)C2 257239842 HRAXSOQENVRIEJ-MRXNPFEDSA-N 327.432 1.824 0 40 EDAB CC(=O)N1CCN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1ccccc1 257317608 VKMGODIDEINYGU-SFHVURJKSA-N 340.427 1.932 0 40 EDAB CCN1C(=O)C[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccccc1OC 257314306 UWIJXOCDBBESSH-QAPCUYQASA-N 347.459 1.625 0 40 EDAB O=C(c1n[nH]c2c1CCCC2)N1CCO[C@H](CCc2ccncn2)C1 257301818 SABCEFPQMOFRAY-CQSZACIVSA-N 341.415 1.552 0 40 EDAB O=C(O)[C@H]1CCO[C@H]1C1CCN(C(=O)COCc2ccccc2)CC1 263196503 NCTNNOWPPFMSOE-WMZOPIPTSA-N 347.411 1.932 0 40 EDAB CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@H]2Cc3cncn3C2)cc1 606444265 OOPMBLUKDRNUJM-HNNXBMFYSA-N 340.427 1.652 0 40 EDAB COC(=O)[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)Cc2ccccc21 599504796 QRSTXPZWIJTLPA-SWLSCSKDSA-N 338.429 1.488 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc3C2)cc1 390833047 BCLMIBGLTBAVRR-UHFFFAOYSA-N 332.381 1.369 0 40 EDAB O=C(NCc1ncc(C(F)(F)F)cn1)N1CCN2CCCC[C@@H]2C1 297549636 PGEUIKZSOQJKSU-GFCCVEGCSA-N 343.353 1.875 0 40 EDAB C[C@@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccccc1F 25804238 IGFLOYDHTJITIH-SNVBAGLBSA-N 347.375 1.507 0 40 EDAB O=C(c1cnccn1)N1CCO[C@](CO)(Cc2ccccc2F)C1 585275637 HOMOTYSBKYNIQF-QGZVFWFLSA-N 331.347 1.062 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)c1nccc2ccccc12 585279582 VUXSDFSERZKTKJ-SFHVURJKSA-N 327.384 1.731 0 40 EDAB O=C1C[C@H](NS(=O)(=O)c2cccs2)CN1Cc1ccccc1 69352172 ROAAXONPMKMGDG-ZDUSSCGKSA-N 336.438 1.828 0 40 EDAB Cc1csc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 43532898 ZJFUUSCHGOUTND-HNNXBMFYSA-N 345.424 1.940 0 40 EDAB COc1ccc(Br)c(C(=O)N[C@@H]2CCCNC2=O)c1 49497933 IIJFZFVOTCMDHA-LLVKDONJSA-N 327.178 1.466 0 40 EDAB O=C(Cc1n[nH]c2ccccc12)NCc1cccnc1-n1cncn1 50579297 OCPPHFSXFSIWGQ-UHFFFAOYSA-N 333.355 1.398 0 40 EDAB Cc1nccc(CNC(=O)NC2CCN(Cc3ccccn3)CC2)n1 57076550 KIAFOXJXGPLOGR-UHFFFAOYSA-N 340.431 1.644 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccccc1 95458986 PJMLDUZLMWJISC-HNNXBMFYSA-N 335.429 1.799 0 40 EDAB C[C@@H](NCC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 95984257 MNEPQPNKIXEQNZ-MNOVXSKESA-N 346.399 1.166 0 40 EDAB CCC1(CNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCC1 96460369 NKRMYLQHDJVPQI-UHFFFAOYSA-N 343.435 1.432 0 40 EDAB COc1ccccc1OCC(=O)N1CCCSC[C@@H]1CN(C)C 90699933 MWSVNXHLVCFLQP-AWEZNQCLSA-N 338.473 1.970 0 40 EDAB COc1ccccc1C1(CNC(=O)c2cn(C)nn2)CCOCC1 41511822 OCKIQFZRYQUREJ-UHFFFAOYSA-N 330.388 1.302 0 40 EDAB Cn1ccnc1C1(O)CCN(CC(=O)Nc2ccccc2F)CC1 12221771 DKELFLGRKICJNM-UHFFFAOYSA-N 332.379 1.481 0 40 EDAB Cc1ncc(Cl)cc1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 12737733 CGRVSNXVEVCSSP-UHFFFAOYSA-N 343.836 1.286 0 40 EDAB CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(CC(=O)N(C)C)C1 19702059 JRZXBOOGMHTJND-LLVKDONJSA-N 346.456 1.533 0 40 EDAB CN1CCc2nc3sc(C(=O)Nc4nncs4)c(N)c3cc2C1 19853443 AKISVAHHRYLWAZ-UHFFFAOYSA-N 346.441 1.970 0 40 EDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Cc1cccs1)C2 225664534 VGOSBFNJGOWKDF-RYUDHWBXSA-N 328.459 1.362 0 40 EDAB C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)sc2C1 16847791 YLOUBKGLTFCHTO-MWLCHTKSSA-N 343.474 1.630 0 40 EDAB CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(C)(C)C)cc2)C1=O 5878700 FAMGORWFZDDMNX-UHFFFAOYSA-N 331.372 1.733 0 40 EDAB Cc1noc(CN2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)n1 1888879612 GZDRVYYRXCALOC-KBPBESRZSA-N 338.415 1.833 0 40 EDAB NC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 15574957 UKRZAYROIACHJQ-HNNXBMFYSA-N 337.379 1.773 0 40 EDAB Cc1cc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)on1 23325078 NCLUEQUMJBJPOK-UHFFFAOYSA-N 344.371 1.506 0 40 EDAB C[C@@H]1CCc2sc(C(=O)NCCN3CCCS3(=O)=O)cc2C1 61598361 BRXRBXOFKLTCSI-LLVKDONJSA-N 342.486 1.638 0 40 EDAB CO[C@@H]1CCN(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 1565523213 HYCGBWLGFRRFQQ-OAHLLOKOSA-N 332.400 1.741 0 40 EDAB O=C(c1cc[nH]n1)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 1565547471 PYPYWBIOJUNFCV-PMPSAXMXSA-N 328.372 1.394 0 40 EDAB Cc1ccc(Cl)cc1NC(=O)C(=O)NCCCN1CCCC1=O 5251494 RIRAHAGZJAGTGK-UHFFFAOYSA-N 337.807 1.716 0 40 EDAB Cc1ccc(NC(=O)C(=O)NCc2ccco2)cc1N1CCCC1=O 10220989 WFBCADKCSQBGLX-UHFFFAOYSA-N 341.367 1.970 0 40 EDAB Cc1ccc(NC(=O)Cn2nc(C)cc2C(=O)N2CCOCC2)cc1 11931050 APEUZNATVNGSFB-UHFFFAOYSA-N 342.399 1.611 0 40 EDAB COc1nn(C)cc1C(=O)Nc1nnc(Cc2ccc(F)cc2)o1 36709542 ZXSJLNAWMLKPLU-UHFFFAOYSA-N 331.307 1.794 0 40 EDAB O=C(Cc1ccsc1)N1CCN(C2CCS(=O)(=O)CC2)CC1 225811211 GYIAOZBWHMDSEO-UHFFFAOYSA-N 342.486 1.012 0 40 EDAB Cc1noc(C)c1CCC(=O)NCc1n[nH]c(=O)c2ccccc12 44059490 RVUSEDXTOUXKPK-UHFFFAOYSA-N 326.356 1.777 0 40 EDAB O=S(=O)(NCCNc1cc(-n2cccn2)ncn1)c1ccccc1 35597309 JMOLNPZQYHINCN-UHFFFAOYSA-N 344.400 1.053 0 40 EDAB Cc1ccoc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 30967313 IEVHUQXSCANHGU-UHFFFAOYSA-N 325.342 1.471 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)N2CCC(C(N)=O)CC2)cc1 31129513 MXDATQYGBNAAMV-UHFFFAOYSA-N 333.432 1.923 0 40 EDAB CN1CC(=O)N(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 40465531 LOKAWVLMLYXXRL-MRXNPFEDSA-N 340.379 1.987 0 40 EDAB CCN(CC(C)C)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 40500902 KTSDDRVLPGOLEL-UHFFFAOYSA-N 337.445 1.572 0 40 EDAB CN1CCc2c(sc3c2c(NCc2ccco2)nc2nnnn23)C1 20503839 PTGSXOOXZPPXTP-UHFFFAOYSA-N 341.400 1.927 0 40 EDAB COc1ccc2nnc(CCC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)n2n1 101407923 IJINLXMCNFKLJS-AVGNSLFASA-N 327.388 1.394 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1F 32434716 CQIOKLOJFOXRMS-CQSZACIVSA-N 344.452 1.769 0 40 EDAB O=C(NS(=O)(=O)C[C@H]1CCCCO1)c1cc2c(s1)CCC2 102141279 MTBKFFJZUUJROS-LLVKDONJSA-N 329.443 1.866 0 40 EDAB CCOCCCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C)C1=O 32721636 XGITXXDRYQGZHR-UHFFFAOYSA-N 347.371 1.151 0 40 EDAB O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC[C@@H]1CCCO1 220139 URIKOFYVCQVYMV-AWEZNQCLSA-N 347.802 1.859 0 40 EDAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCOCC1 422884 LALKETJQMQOWNX-UHFFFAOYSA-N 332.429 1.357 0 40 EDAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccco2)Oc2ccccc21 22526496 WXMBNYCBQIZWEN-AWEZNQCLSA-N 336.369 1.123 0 40 EDAB CCc1cccc(CC)c1NC(=O)CSc1n[nH]c(=O)[nH]c1=O 1282718 SZVNGCOGIHALEX-UHFFFAOYSA-N 334.401 1.314 0 40 EDAB CCOC(=O)CSc1nnc2n(CC)c(=O)c3ccccc3n12 1331688 WAHYQMHHYJKAHO-UHFFFAOYSA-N 332.385 1.719 0 40 EDAB COc1ccc([C@H]2[C@H]3[C@@H](C)NC(=O)N(C)[C@H]3NC(=O)N2C)c(OC)c1 4023667 IVGBQRCBJJPBGS-ZAOWEBSESA-N 348.403 1.386 0 40 EDAB O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)NC1CCCC1 4945692 YSCRZCIVPGGHNJ-UHFFFAOYSA-N 325.415 1.841 0 40 EDAB COc1cc(C(=O)N2CCNC(=O)C2)cc(Cl)c1OC(C)C 23419089 OYYBFOZAUZPYOZ-UHFFFAOYSA-N 326.780 1.708 0 40 EDAB O=C(NCc1cc(F)ccc1F)N1CCN(c2cccnn2)CC1 104804679 MIUZULAQAFYILJ-UHFFFAOYSA-N 333.342 1.787 0 40 EDAB COc1ccc(OC)c(CN2CCN(C(=O)c3cc(C)on3)CC2)c1 23702233 HUNVEFIDFZHKPG-UHFFFAOYSA-N 345.399 1.958 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1[C@H]2CCCC[C@H]12 100773550 GSNJVWUYLRHUCU-KBPBESRZSA-N 334.441 1.920 0 40 EDAB O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)[C@@H]1CC(=O)N(C2CCCC2)C1 43056149 FCPUXUBPUQWHQU-MLGOLLRUSA-N 343.427 1.660 0 40 EDAB Cc1c(CNC(=O)[C@]2(C)Sc3ccccc3N(C)C2=O)cnn1C 57279878 MYCDTQJUYGPKIM-KRWDZBQOSA-N 344.440 1.872 0 40 EDAB C[C@@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2ccccc2)CC1 43302090 LVRFFFUWHAWFDJ-INIZCTEOSA-N 329.444 1.845 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C)C(=O)Nc1ncccn1 106843919 CODGJESCGWBIEG-ZIAGYGMSSA-N 328.420 1.991 0 40 EDAB O=C(CN1CCN(Cc2cccc3cccnc23)CC1)N1CCCC1 25434892 WOYXEWPQRDQTRU-UHFFFAOYSA-N 338.455 1.975 0 40 EDAB O=C(O)c1ccc(Br)cc1NS(=O)(=O)N1CCCC1 37742553 FZUZLZAPLCVLRG-UHFFFAOYSA-N 349.206 1.900 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)CN(C)CC(=O)NCc2ccco2)c1C 57383619 JRDORASRKSDNPS-UHFFFAOYSA-N 345.399 1.858 0 40 EDAB Cc1c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)OCCO3)cnn1C 26829475 WGTAKKOHDYIOLW-SNVBAGLBSA-N 337.401 1.539 0 40 EDAB COc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccccn1 3276917 GUNHNFJLHHGFNP-UHFFFAOYSA-N 336.369 1.309 0 40 EDAB CCn1c(=O)[nH]c2cc(C(=O)NCCc3ccco3)ccc2c1=O 58152573 LYUQFTCNCBULSZ-UHFFFAOYSA-N 327.340 1.275 0 40 EDAB Cc1nn(C)cc1-c1ccnc(NCCC2(O)CCN(C)CC2)n1 48194373 QXBQYQQOVUPMLR-UHFFFAOYSA-N 330.436 1.444 0 40 EDAB COc1ccccc1N1CCN(CC(=O)NCc2ccccn2)CC1 58226847 YKDKKDVKBAKXKA-UHFFFAOYSA-N 340.427 1.529 0 40 EDAB CCCc1noc([C@@H](C)N2CCN(c3nccc(OC)n3)CC2)n1 58226030 BMTVRPMSTDXWHZ-GFCCVEGCSA-N 332.408 1.704 0 40 EDAB COc1ccccc1[C@H](O)CNC(=O)CN(C)Cc1ccccc1 58245288 JQYYYSRROXGLLE-QGZVFWFLSA-N 328.412 1.977 0 40 EDAB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NC[C@H]1CCCO1 58290913 QSKQXJMFKVCEJT-SNVBAGLBSA-N 332.809 1.620 0 40 EDAB Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCC[C@@H](C)C2)cn1C 58263940 UJOWXDRVLAWWHP-DGCLKSJQSA-N 342.465 1.092 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1C(=O)c2ccccc2CS1(=O)=O 58292768 LSGUUJRTIUTGNU-LBPRGKRZSA-N 336.413 1.373 0 40 EDAB COc1ccc(NC(=O)NCCS(=O)(=O)c2ccccc2)cn1 44972646 UEQHAOSQBITORU-UHFFFAOYSA-N 335.385 1.686 0 40 EDAB COc1ccc(Cl)cc1CNC(=O)[C@H]1CCCN(C(N)=O)C1 44953740 CBLGMBOPEKYPLY-JTQLQIEISA-N 325.796 1.756 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1C 44947876 XUARDYONOIXPAI-KBPBESRZSA-N 325.430 1.761 0 40 EDAB Cc1ccccc1C[C@H](C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 58314585 VFUJUNSSHFNZSI-ZFWWWQNUSA-N 341.498 1.963 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(C(=O)Cn2cccn2)CC1 58329176 NUUVETJYYLIEPU-UHFFFAOYSA-N 326.400 1.105 0 40 EDAB Cc1ccccc1OCCCN1CCN(CC(=O)NC2CC2)CC1 58344042 TUSNFQQTQZVAOP-UHFFFAOYSA-N 331.460 1.660 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(-n2ccnc2)nc1 24907778 LNJFCJLTVAZJPG-UHFFFAOYSA-N 346.350 1.616 0 40 EDAB CC(C)[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O 2203678 IDSBUAJZSJJYEH-LBPRGKRZSA-N 328.409 1.859 0 40 EDAB CN(C)C(=O)[C@@H]1C[C@H]2CN(C(=O)NCCc3ccccc3)C[C@H]1O2 107263221 FCXBYSQNTOVXBB-ARFHVFGLSA-N 331.416 1.116 0 40 EDAB O=C(Cn1cncn1)N1CCN(Cc2c(F)cccc2Cl)CC1 45293249 RZVRROJULIMTQL-UHFFFAOYSA-N 337.786 1.415 0 40 EDAB CC(=O)N1CCN(CC(=O)NC(=O)Nc2ccc(C)c(C)c2)CC1 36389967 MMGDNKUUVJOCBB-UHFFFAOYSA-N 332.404 1.116 0 40 EDAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ncccn1 12735666 PQYBACFFZMUBBE-UHFFFAOYSA-N 341.371 1.757 0 40 EDAB C[C@@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccncc1 97370646 DAOQECZLDPGNDT-LLVKDONJSA-N 341.350 1.486 0 40 EDAB CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)c2nnc(C)o2)c1 48331685 VZIXIQCTSNFPDX-SECBINFHSA-N 339.373 1.594 0 40 EDAB O=C(CN1CCCCC1)NCC(=O)Nc1ccc(F)c(F)c1F 3443362 CLHIUHVGJJSSQI-UHFFFAOYSA-N 329.322 1.645 0 40 EDAB Cc1nscc1C(=O)N1CCN(CCNC(=O)C2CCC2)CC1 97080419 ZHYDKBVQWQEEDC-UHFFFAOYSA-N 336.461 1.126 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)C2(c3ccccc3)CC2)cc1 3534465 QQONUTAUWUCRLW-UHFFFAOYSA-N 344.436 1.725 0 40 EDAB Cc1noc(CS(=O)(=O)[C@H](C)C(=O)N2CCCc3ccccc32)n1 48705116 LYKUDANCXANBOA-LLVKDONJSA-N 349.412 1.661 0 40 EDAB Cc1coc2cc3oc(=O)c(CC(=O)NCC(=O)O)c(C)c3cc12 3863614 BGTGNWZJUJKHEU-UHFFFAOYSA-N 329.308 1.899 0 40 EDAB biogenic CCN1CCN(c2ncnc3c2cnn3-c2ccc(OC)cc2)CC1 3912257 ZKUHXDRCQGEDDO-UHFFFAOYSA-N 338.415 1.966 0 40 EDAB O=C(NCCN1C(=O)CCCC1=O)c1cncc(Br)c1 72298196 UESQVUJEGBVBLK-UHFFFAOYSA-N 340.177 1.113 0 40 EDAB COCC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 64463051 RNDFCRWPEJKVNB-UHFFFAOYSA-N 325.166 1.674 0 40 EDAB CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)CS(=O)(=O)N(C)C 96010535 HNJFSHSYSGLRKV-HZPDHXFCSA-N 338.473 1.981 0 40 EDAB CCOC(=O)C[C@](C)(O)CNS(=O)(=O)c1ccc(C)cc1F 96008942 PMVLLNKUKSVPEP-AWEZNQCLSA-N 333.381 1.117 0 40 EDAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc(OC)c(Cl)c1 5019657 ZUZZEEKCBZCTOR-VOTSOKGWSA-N 341.747 1.950 0 40 EDAB aggregator CC(C)c1nnc2n1C[C@H](NC(=O)Nc1cnc(N(C)C)nc1)CC2 96000113 MMQQLGBBXUZTTM-LLVKDONJSA-N 344.423 1.394 0 40 EDAB N=C(N)NC1=NC(=O)[C@@H](CC(=O)Nc2ccccc2Cl)S1 13728009 XQCXEJTUVUMVDU-MRVPVSSYSA-N 325.781 1.150 0 40 EDAB CNc1cc2c(nn1)CCN(C(=O)c1ccc(-n3cccn3)nc1)C2 72279518 MSTNGCGKWSZIGB-UHFFFAOYSA-N 335.371 1.298 0 40 EDAB COc1ccc(CNC(=O)COc2c[nH]c(C)cc2=O)cc1OC 96115133 WAFVTGMHNCGTGW-UHFFFAOYSA-N 332.356 1.396 0 40 EDAB biogenic C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(CC(=O)NC2CC2)C1=O 65530809 JXYIRXYZTDJIRR-OAHLLOKOSA-N 339.754 1.525 0 40 EDAB CC[C@@H](C)NC(=O)CNC(=O)N[C@@]1(C(=O)O)CCc2ccccc21 65554179 JDYBQICQZBMBAD-DIFFPNOSSA-N 333.388 1.127 0 40 EDAB COc1ccc(NC(=O)c2ccc(CN3CCNC(=O)C3)cc2)cc1 14161799 KYOAHQHWARVXDA-UHFFFAOYSA-N 339.395 1.879 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=S)NCc1ccco1)C2=O 14129166 IFMNNZNIVSBJRA-UHFFFAOYSA-N 336.417 1.659 0 40 EDAB CC(C)c1ccc(-n2nnnc2SCc2nc(N)nc(N)n2)cc1 14112206 HIXFBQMTPPZSPM-UHFFFAOYSA-N 343.420 1.427 0 40 EDAB CC(C)(C)CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 65624409 IQRDKKDGBBDTOO-UHFFFAOYSA-N 333.436 1.068 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 72272203 SWIOVYRPQUILAA-MRXNPFEDSA-N 327.388 1.392 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)CSc1ccccc1F 5418915 ZFHGYMASSLKTLA-UHFFFAOYSA-N 328.365 1.697 0 40 EDAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)c1ccc[nH]1 6552676 VACOOCJKHDXBSC-UHFFFAOYSA-N 329.356 1.879 0 40 EDAB Cn1c(CNC(=O)c2ccc(-c3ccccc3)cc2)cc(=O)n(C)c1=O 6668926 TUZGGDRIGNNNHX-UHFFFAOYSA-N 349.390 1.681 0 40 EDAB COC(=O)[C@@H]1C[C@H](Oc2ccc(I)cc2)CN1 14632560 UQRMSAXNEKUVAC-QWRGUYRKSA-N 347.152 1.574 0 40 EDAB CC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(C)cc2C)C1=O 9419267 DEGXCIGWQXWVEE-CYBMUJFWSA-N 329.278 1.754 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)n1 72279933 LHKTVKLMTDRIAF-CVEARBPZSA-N 347.463 1.672 0 40 EDAB CN(C)C(C)(C)CNC(=O)c1cnn2cc(Br)cnc12 93905120 VWTNUKIBQFYJOW-UHFFFAOYSA-N 340.225 1.562 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)c3cn4cccnc4n3)C2)no1 67940350 KVPYYGXQCPEZLQ-NSHDSACASA-N 326.360 1.695 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2F)C1 20017639 FFKTYHJRBYZPLS-JTQLQIEISA-N 332.372 1.965 0 40 EDAB CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCC2)c(=O)[nH]c1=O 7803670 VKABTXLSPGEIHO-UHFFFAOYSA-N 336.436 1.708 0 40 EDAB Cc1nc(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c[nH]1 71893237 CIKMDTWFVALDMN-KRWDZBQOSA-N 341.371 1.306 0 40 EDAB C/C=C/c1ccc(OCC(=O)N2CCN(C[C@@H](C)O)CC2)c(OC)c1 71871016 TUKJBIAZKZVNLC-MBVDDHJVSA-N 348.443 1.632 0 40 EDAB CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C(N)=O)C3)cn2)CC1 71804981 YETWYIIKKHJXMA-HNNXBMFYSA-N 345.447 1.335 0 40 EDAB O=C(N[C@@H]1COc2ccccc21)[C@H]1CC(=O)N(Cc2ccco2)C1 71844153 LZHDDPCFJHFLHB-SWLSCSKDSA-N 326.352 1.878 0 40 EDAB C[C@@H]1CN(C2CCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CC2)CCO1 71841394 VOLNGYYIDVWMMO-KBRIMQKVSA-N 332.448 1.235 0 40 EDAB COc1ccc(Cl)cc1NCC(=O)NC[C@H](C)N1CCOCC1 69141747 YGXBIDYJRMDXGO-LBPRGKRZSA-N 341.839 1.597 0 40 EDAB CC(C)(C)[S@@](=O)CCNC(=O)NC[C@@H](O)c1ccccc1F 71909931 XVQZYQZBIIKJMM-MCMMXHMISA-N 330.425 1.706 0 40 EDAB CC(C)OCCOC[C@@H](O)CN(C)C(=O)NCCc1ccccn1 71913538 TUIVSUADKGEBCV-INIZCTEOSA-N 339.436 1.068 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)NC(N)=O)c12 97134633 VVACNYVXBODFIC-SSDOTTSWSA-N 332.316 1.149 0 40 EDAB CC(=O)NC1CCN(C[C@@H](O)COc2cc(C)ccc2Cl)CC1 97109311 UTSFMGUMUAWASC-OAHLLOKOSA-N 340.851 1.989 0 40 EDAB CCCc1cc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)[nH]n1 69451173 WUBSMOSGSJJBDM-UHFFFAOYSA-N 330.436 1.444 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc(F)cc(F)c1 69485142 BTGJKDWOCQGGAM-HNNXBMFYSA-N 339.386 1.637 0 40 EDAB Cc1ccc(-n2ncc3c(NCCOCCO)ncnc32)cc1C 17120411 YJNJXBBSRIKWME-UHFFFAOYSA-N 327.388 1.853 0 40 EDAB CC[C@](C)(NC(=O)CNC(=O)c1cccc(Cl)c1)C(=O)OC 69529362 UVKGBAXDLCYXOC-HNNXBMFYSA-N 326.780 1.528 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc2ccccc2[nH]1 69520590 ADVADUHPLJRYKB-QGZVFWFLSA-N 342.443 1.840 0 40 EDAB Cc1nnc2[nH]nc(NC(=O)CCNC(=O)c3ccsc3)c2c1C 69626187 WWKDJGUYHONMHS-UHFFFAOYSA-N 344.400 1.790 0 40 EDAB C[C@@H](N[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)C(=O)NC1CC1 69624784 FYRTWLRMXBWHDZ-BXUZGUMPSA-N 333.436 1.168 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](n4ccnc4)C3)nc2n1 69656472 NVIXUMRMZOYRSX-CYBMUJFWSA-N 325.376 1.415 0 40 EDAB O=c1cc(CN2CCO[C@H](c3nccs3)C2)nc2ccccn12 97199710 QDDYKSOORRARGU-ZDUSSCGKSA-N 328.397 1.725 0 40 EDAB COc1ccc([C@@H](CNCc2c[nH]nc2C)N2CCOCC2)cc1 97159233 ZBSXOFHSIYJCFD-GOSISDBHSA-N 330.432 1.890 0 40 EDAB C[C@@H](C(=O)NCCc1c[nH]c2ccc(Cl)cc12)S(C)(=O)=O 72302950 BTRUYDANLDLCLG-VIFPVBQESA-N 328.821 1.913 0 40 EDAB NC(=O)c1cnn2c1NC[C@H](CN[C@@H]1CCCOc3ccccc31)C2 69815608 LJELZOCXVDPRRD-SWLSCSKDSA-N 341.415 1.527 0 40 EDAB Cc1nnc2ccc(C(=O)N3CCN(C[C@@H](O)C(C)(C)C)CC3)cn12 69926104 SLZHDPFBCKYALC-OAHLLOKOSA-N 345.447 1.203 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 69923843 HGUPLIREBBDQNS-HZPDHXFCSA-N 335.448 1.964 0 40 EDAB CN1CCN(CCCN(C)CC(=O)Nc2cc(F)cc(F)c2)CC1 69979999 WENKYSVFPHMTBO-UHFFFAOYSA-N 340.418 1.473 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)n1 69929833 XILKELDFWUIZHZ-HUUCEWRRSA-N 333.436 1.282 0 40 EDAB COc1ccc(-c2nc(CN[C@H]3CCc4nc(C)nn4C3)no2)cc1 69969783 JOLYZYHSBSDCDB-ZDUSSCGKSA-N 340.387 1.750 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1csc(N(C)C(C)=O)n1)CC2 72302194 MMLWADDZSSWGGZ-UHFFFAOYSA-N 347.444 1.261 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNCc1cnc(N2CCN(C)CC2)nc1 95416629 MELVIPNRJOXBCY-AEFFLSMTSA-N 347.507 1.913 0 40 EDAB C[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccc(Cl)s1 95442341 RYJCJTBSZGBMQC-MNOVXSKESA-N 332.853 1.314 0 40 EDAB C[C@@H](COc1cccc(F)c1)NC(=O)N1CCC2(CC1)CNC(=O)C2 73810889 LFELSKAMRJPCFS-ZDUSSCGKSA-N 349.406 1.905 0 40 EDAB Cn1cnc2cc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cnc21 95997703 RWAAQELDTDKJPN-GFCCVEGCSA-N 345.403 1.708 0 40 EDAB C[C@H](C(=O)NCc1noc(C2CC2)n1)n1c(=O)oc2ccccc21 95978694 PSCABOAPSGBEMW-SECBINFHSA-N 328.328 1.732 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCN(CCCn2ccnc2)CC1 95987340 XMPHEBSEKJBBAX-UHFFFAOYSA-N 338.415 1.608 0 40 EDAB COC[C@@H](O)CNC(=O)c1c[nH]c2cccc(Br)c12 95979199 IKWKNBMKIOSJJO-QMMMGPOBSA-N 327.178 1.668 0 40 EDAB O=C(Nc1c(-c2ccco2)nc2ccccn12)[C@H]1CCS(=O)(=O)C1 95964299 VQQLNMGNKWGYTN-NSHDSACASA-N 345.380 1.968 0 40 EDAB CCNS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 95959989 RIBLCXXVRIIAOH-UWVGGRQHSA-N 332.372 1.124 0 40 EDAB CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 89368809 GKAHJVRJFRGUFE-PELKAZGASA-N 344.820 1.151 0 40 EDAB COCCN1CCC(CNC(=O)c2ccc3c(c2)OCCCO3)CC1 89414432 QTPYWQQPRLDUFJ-UHFFFAOYSA-N 348.443 1.936 0 40 EDAB CC(=O)c1c(C)cc(C)c(CN(C)C[C@H](O)CN2CCOCC2)c1C 75107699 NUKHGFHGEDSFGC-SFHVURJKSA-N 348.487 1.939 0 40 EDAB Cc1nccn1CCCNC(=O)c1ccc(-c2ccco2)[nH]c1=O 75125509 NTLOGHFRAYVDHU-UHFFFAOYSA-N 326.356 1.960 0 40 EDAB Cn1cc([C@@H](O)CNC(=O)NCc2ncc(-c3ccccc3)o2)cn1 76085570 CNMOFSRRNVQGSE-AWEZNQCLSA-N 341.371 1.608 0 40 EDAB Cc1ccc(CCNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cn1 76093998 DADJSGGPCQVAKE-MRXNPFEDSA-N 327.432 1.940 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1noc(C2CC2)n1 76044599 HCJJDOHKEQEOAS-PWSUYJOCSA-N 339.417 1.435 0 40 EDAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)s1 31814473 KPRHAKIDTRCGFZ-GFCCVEGCSA-N 346.412 1.672 0 40 EDAB COCCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(=O)O)C2)cc1 567811070 QTDVBSIFTWUSNG-UONOGXRCSA-N 341.429 1.797 0 40 EDAB COc1ccc(Cn2nccc2NC(=O)CCCn2cncn2)cc1 79047063 YQQSXFFMUHKKPH-UHFFFAOYSA-N 340.387 1.950 0 40 EDAB CCS(=O)(=O)N1CCCN(C(=O)c2ccc3c(c2)CCO3)CC1 75040075 DLMFYZCVUZOTJN-UHFFFAOYSA-N 338.429 1.119 0 40 EDAB Cc1nc(NCC[S@@](C)=O)cc([C@@H]2CN(C(C)C)CCO2)n1 72387926 PRAFRQOIYXTXTC-FPTDNZKUSA-N 326.466 1.357 0 40 EDAB CC(C)NC(=O)CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 72327537 YNGZZUUIIGJBIF-LJQANCHMSA-N 344.411 1.928 0 40 EDAB O=C(O)c1cccc(OCCN2CCNC(=O)[C@H]2c2ccccc2)c1 566359068 OYRVFWOTHVBVMI-QGZVFWFLSA-N 340.379 1.937 0 40 EDAB NCC[C@H]1CCCCN1C(=O)c1cc(C(=O)O)n(-c2ccccc2)n1 566317935 LHCCRCZLQKANCR-CYBMUJFWSA-N 342.399 1.914 0 40 EDAB COCCN(CC(F)F)C(=O)c1ccnc(N2CCN(C)CC2)c1 78999754 WWIDUJKOYRIJBX-UHFFFAOYSA-N 342.390 1.187 0 40 EDAB CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCCCC3)[C@@H](O)[C@H]2O1 225512063 OLOZNAXNUVPIFU-GRLWTPEZSA-N 340.464 1.109 0 40 EDAB biogenic,in-vitro CCn1cc(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cn1 89305743 NFFRVOLKQLJTQC-QZTJIDSGSA-N 340.427 1.628 0 40 EDAB Cc1cc(-c2noc(CNC(=O)c3ccc4nsnc4c3)n2)no1 225812880 DVQNZMVNKGURCH-UHFFFAOYSA-N 342.340 1.968 0 40 EDAB CC(C)CNC(=S)Nc1nc(Cl)cc(N2CCOCC2)n1 225893321 QAUQJMQYLJDOEY-UHFFFAOYSA-N 329.857 1.909 0 40 EDAB Cc1nsc(N2CCCN(Cc3cnc(N(C)C)n3C)CC2)n1 576747160 WANDZUCZBLYSBJ-UHFFFAOYSA-N 335.481 1.358 0 40 EDAB CNC(=O)CN1CCOC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 96049487 TXVICUOIIWFDHU-IBGZPJMESA-N 349.450 1.486 0 40 EDAB C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CCc1ccco1 96410225 SNYJFTAYJMCPRF-MRXNPFEDSA-N 342.443 1.934 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)CN2CCOCC2)cc1 583621067 WSIWEVGOBFGDSK-HKUYNNGSSA-N 348.443 1.226 0 40 EDAB CN1CCN(C(=O)c2n[nH]c3c2CN(Cc2cccs2)C3)CC1 96066705 WAGQPUVEDGSFOK-UHFFFAOYSA-N 331.445 1.375 0 40 EDAB CN1C(=O)[C@@H](c2cccnc2)CC12CCN(C(=O)NC1CC1)CC2 96087444 IWECUJZVCOVBJZ-OAHLLOKOSA-N 328.416 1.734 0 40 EDAB O=C1CO[C@@H]2CN(C3CCOCC3)C[C@H]2N1Cc1cccc(F)c1 96081657 MVNNVKUHVYKCFU-IAGOWNOFSA-N 334.391 1.416 0 40 EDAB O=C(c1ccno1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96380743 XGGHKHBNTMKXDQ-UHFFFAOYSA-N 326.761 1.626 0 40 EDAB O=C(c1cnccn1)N1CCOC2(CCN(Cc3ccco3)CC2)C1 97953292 JGGYNSIFLWWOEW-UHFFFAOYSA-N 342.399 1.577 0 40 EDAB COCCN1C(=O)CC[C@@]12CCCN(C(=O)c1cnccn1)CC2 96217816 DRRZCPRMCZDHHC-QGZVFWFLSA-N 332.404 1.110 0 40 EDAB C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1nc(N)nc(N(C)C)n1 96459474 HGUQTLPCZHYAIT-HEHGZKQESA-N 342.447 1.870 0 40 EDAB COC(=O)[C@H]1CN(Cc2nc3ccccc3n2C(F)F)CCO1 96443317 IJLWXRHLHUMYAW-GFCCVEGCSA-N 325.315 1.805 0 40 EDAB CCN1C[C@H](COC)[C@]2(CCN(C(=O)COc3ccccc3)C2)C1 96218120 XTMIHKSCXBPYER-VQIMIIECSA-N 332.444 1.882 0 40 EDAB O=C(NCCCc1nc(-c2ccncc2)cs1)[C@@H]1COCCN1 238071051 GPHNUDCMBSQAMP-ZDUSSCGKSA-N 332.429 1.242 0 40 EDAB CCn1cc(NC(=O)C(=O)N[C@@H]2CCc3ccccc3C2)ccc1=O 96413490 BCUXQIKAKSFKPP-OAHLLOKOSA-N 339.395 1.480 0 40 EDAB O=C([C@H]1CN(c2ncc(F)cn2)C[C@H]2OCC[C@H]21)N1CCCCO1 96041193 YUWWBEGNAKFUPE-MELADBBJSA-N 336.367 1.011 0 40 EDAB Cc1cnc(C(=O)N(C)C[C@@]2(O)CCN(c3ccc(F)cn3)C2)cn1 257290702 QEACHLXXKCHCKH-KRWDZBQOSA-N 345.378 1.033 0 40 EDAB CCC(CC)n1ncc(C(=O)NCC(=O)Nc2ccn(C)n2)c1C 585086056 CSXMLSITPBKBQB-UHFFFAOYSA-N 332.408 1.655 0 40 EDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)CN(C)CC(C)(C)C)C2 585122143 OMSIXAOMJFUGAH-AWEZNQCLSA-N 336.480 1.135 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H]2CCN(C(C)=O)C2)c(C)c1 585114961 GWYISWPUVTZEGX-CYBMUJFWSA-N 326.418 1.150 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](NC(=O)C2(C(F)F)CCCC2)[C@H](O)C1 585128239 WSZAEOMKCIJZRM-WDEREUQCSA-N 348.390 1.908 0 40 EDAB C[C@@]1(C(N)=O)CCCN(Cc2cnn(-c3ccccc3C(=O)O)c2)C1 257263555 LQMPAAJCUJPKBR-GOSISDBHSA-N 342.399 1.658 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)N1CC[C@@](O)(CN2CCCC2)C1 257306956 SWRWBADQEFPKKM-LJQANCHMSA-N 327.428 1.770 0 40 EDAB Cc1cc(CC[C@H]2CCCN2S(=O)(=O)N2CCOCC2)ccn1 257307682 SZUQCBUWCOAHFS-MRXNPFEDSA-N 339.461 1.364 0 40 EDAB Cc1cc([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)nc(C)n1 257269171 MOWJZSWWSYPTEB-ZDUSSCGKSA-N 339.442 1.917 0 40 EDAB O=C(c1ccccc1C(F)(F)F)N1C[C@@H](O)[C@H](N2CCCC2)C1 257278367 OBYWKQVLUFFXKL-ZIAGYGMSSA-N 328.334 1.987 0 40 EDAB O=C(N1CC[C@](O)(CN2CCOCC2)C1)C1(c2ccccc2)CC1 257299269 RPJFQRKZHIUIBG-SFHVURJKSA-N 330.428 1.014 0 40 EDAB O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1cc(F)cc(N2CCOCC2)c1 1601572944 WTMLCYWGUWWJPQ-QXSJWSMHSA-N 348.374 1.501 0 40 EDAB COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C(C)C)N1CCOCC1 63268394 PPSWJWKTVDZRKW-LSDHHAIUSA-N 343.468 1.230 0 40 EDAB CC(C)OCCCNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 36594848 WDSOWUMKAJOQTD-OAHLLOKOSA-N 347.415 1.449 0 40 EDAB biogenic OCCC1(CNC[C@H](O)COc2ccc(F)cc2)CCOCC1 1615045886 KPMRLPALMXZYGS-HNNXBMFYSA-N 327.396 1.334 0 40 EDAB COCCCNc1ccc(F)cc1S(=O)(=O)NCc1ccon1 1615046368 AJKVAOIBJLNXJO-UHFFFAOYSA-N 343.380 1.741 0 40 EDAB CN(C)c1nccc2c1CN(C(=O)[C@@H]1CC13CCC(N)CC3)CC2 1615545046 DCRBQUUUUSNLIK-RCDNUKIMSA-N 328.460 1.940 0 40 EDAB CNC(=O)[C@@H]1CN(C[C@H]2CCCCN2C(=O)OC(C)(C)C)CCO1 1615605380 LCIGTHMKDBNELG-KGLIPLIRSA-N 341.452 1.223 0 40 EDAB CSc1nsc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)n1 599758384 RESQSUFKVCOVPT-RDLWGGRYSA-N 332.476 1.777 0 40 EDAB C[Si](C)(C)c1cccc(CNCC2CN(S(C)(=O)=O)C2)c1 1616039380 LUCWZMXBTZRQKP-UHFFFAOYSA-N 326.538 1.213 0 40 EDAB CSCc1ccc(Cn2nnnc2N(C)C[C@@H]2COCCO2)cc1 1616032940 VWLXJYZMGVLIKR-OAHLLOKOSA-N 349.460 1.436 0 40 EDAB O=S(=O)(CCOc1ccccc1)Nc1cnn([C@H]2CCOC2)c1 96123303 PRDOQNXLZLDJRH-AWEZNQCLSA-N 337.401 1.665 0 40 EDAB O=C(Cn1cccn1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390831873 VPSSBGPHYRKOCG-UHFFFAOYSA-N 347.440 1.489 0 40 EDAB CCCCC(=O)N1CC2(CC[C@@H](CNC(=O)c3cnccn3)CO2)C1 575405275 YBZLNLXQJJAGRS-AWEZNQCLSA-N 346.431 1.404 0 40 EDAB CO[C@H]1CCCN(C(=O)CN2CCCC2=O)[C@H]1Cc1ccccc1 585276929 QETJXUROCRLSOA-IRXDYDNUSA-N 330.428 1.858 0 40 EDAB CCN1CC[C@@]2(CN(C(=O)c3cc(C)no3)CC(F)(F)C2)C1=O 585093130 DKZQKFSUCDDZKW-CQSZACIVSA-N 327.331 1.703 0 40 EDAB Cc1nc(C(=O)N2Cc3cnn(C)c3C2)nn1-c1ccc(F)cc1 585140197 UKAFTQVDQSFCPA-UHFFFAOYSA-N 326.335 1.604 0 40 EDAB CN(C)C(=O)C[C@]1(O)COCCN(Cc2ccc3ccccc3n2)C1 585280518 JULIEFBZMYPUQG-LJQANCHMSA-N 343.427 1.276 0 40 EDAB O=C(Nc1ccncc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 69392973 UWQJCLDQSFKSRF-UHFFFAOYSA-N 345.424 1.564 0 40 EDAB COC(=O)[C@@H](NC(=O)CCNC(=O)c1cccs1)C(C)(C)C 71916095 VRAIMIQIZZEXFK-GFCCVEGCSA-N 326.418 1.572 0 40 EDAB Cc1ccc(N2CCN(c3ncc(Br)cn3)CC2)nn1 1776007896 KVFVKCWGBLIZMG-UHFFFAOYSA-N 335.209 1.664 0 40 EDAB CCCn1nc2c(cc1=O)CN(CC(=O)NCc1cccs1)CC2 72302281 UPNFWVDRAAFDDQ-UHFFFAOYSA-N 346.456 1.389 0 40 EDAB Cc1ccc2cc(C(=O)N3CCN(C(=O)N(C)C)CC3)ccc2n1 95972309 QNYOIXAEGPFDCV-UHFFFAOYSA-N 326.400 1.983 0 40 EDAB CCOCC(=O)NCCn1nc(-c2ccncc2)c2c1CCCC2 96121432 BKNYOPAWGVUPNL-UHFFFAOYSA-N 328.416 1.977 0 40 EDAB COCc1cc(N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)ncn1 1548521270 XZEAXOJAIMWKHP-GFCCVEGCSA-N 330.392 1.508 0 40 EDAB CC(C)N/C(N)=N/CCNC(=O)c1ccc(Br)cc1 104176733 XRNYBGKYLMCFJU-UHFFFAOYSA-N 327.226 1.492 0 40 EDAB O=C(Cc1cccs1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2)cc1 1772595158 YLEUWUGIAZHYQI-RHSMWYFYSA-N 346.408 1.478 0 40 EDAB CCn1ncc(C(=O)N2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)c1C 12120080 OLKRDVFSPCBIHC-DOMZBBRYSA-N 341.415 1.405 0 40 EDAB COc1ccc(-c2cc(CC(=O)NCCCN(C)C)no2)cc1OC 12867573 WPEDLGQDDSZQKI-UHFFFAOYSA-N 347.415 1.969 0 40 EDAB CCN1CCN(c2ccc(N3C(=O)N[C@H](C(C)C)C3=O)cc2)CC1 16022153 NVIWCOUGTSMVRF-MRXNPFEDSA-N 330.432 1.909 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S)s2)cc1 16321382 ALCNXRQGKQSMHF-UHFFFAOYSA-N 330.416 1.586 0 40 EDAB COC(=O)c1sc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)nc1C 17071205 XBBHGEXXTLHTJJ-KZVJFYERSA-N 340.357 1.055 0 40 EDAB Cc1nonc1CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C 19559104 LMFFNOUYANZBQO-DIFFPNOSSA-N 348.403 1.148 0 40 EDAB CNC(=O)c1ccc([C@H]2CCCN2C(=O)c2nonc2C)nc1C 19711182 ZSTSFMKSZROSCB-CYBMUJFWSA-N 329.360 1.418 0 40 EDAB O=C(CN1CCOC[C@@H]1[C@H]1CCC[C@H]1O)NCCC1=CCCCC1 577236173 LQLQUTNCTKVKTC-KZNAEPCWSA-N 336.476 1.855 0 40 EDAB CN1c2ccccc2N(C2CCN(C(=O)CC3CC3)CC2)S1(=O)=O 390830230 JQNUWFIJKJESEG-UHFFFAOYSA-N 349.456 1.979 0 40 EDAB Cc1cc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)n2nccc2n1 1888888350 YCJIUPKLUYWZCU-HUUCEWRRSA-N 347.378 1.664 0 40 EDAB Cc1cc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C(C)C 17635018 XDZKOPPFELQPPQ-CYBMUJFWSA-N 325.430 1.801 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc(C2CC2)on1 24685519 NLQVLRGXKMOPOT-NSHDSACASA-N 327.406 1.096 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](Oc2ccccn2)C1 238821203 CRPLBKNYXYPJNV-ZDUSSCGKSA-N 336.417 1.274 0 40 EDAB Cc1ccnc(C(=O)N2CCO[C@@]3(CCCCN(C(C)C)C3=O)C2)n1 2037984907 RCYRJSYPFIVOAA-SFHVURJKSA-N 346.431 1.417 0 40 EDAB CN(C)[C@H]1CCOC2(CCN(C(=O)c3ncc(Cl)cn3)CC2)C1 1565553630 GNLDZIGOERFZBJ-ZDUSSCGKSA-N 338.839 1.845 0 40 EDAB CC(C)NC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@H](C)CC2)Cc2ncnn2C1 1565548952 JKLCWVMAZSDSOY-RBSFLKMASA-N 347.463 1.587 0 40 EDAB COCCN1CC2(CCN(C(=O)C3CC(F)(F)C3)CC2)CC1=O 1565544405 GXGJSPCSAYAMII-UHFFFAOYSA-N 330.375 1.519 0 40 EDAB COc1ccc(CNC(=O)C(=O)Nc2cccc(NC(C)=O)c2)cc1 5250824 NTCWDLFNNINNNA-UHFFFAOYSA-N 341.367 1.909 0 40 EDAB COc1ccc(CC(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1 12443128 OMYLHRVRLXEVFA-UHFFFAOYSA-N 327.344 1.968 0 40 EDAB O=S(=O)(c1cccs1)N1CC(c2nc(-c3ccccn3)no2)C1 49032118 PKZOVDNJVDSEAT-UHFFFAOYSA-N 348.409 1.981 0 40 EDAB O=C(Nc1nnc2ccccn12)c1ccc(Cn2ccccc2=O)o1 30711840 LWMHSYYSWKTHSJ-UHFFFAOYSA-N 335.323 1.785 0 40 EDAB CN(C)c1ccc(NC(=O)NC[C@H](O)COc2ccccc2)cn1 40540801 LVZNBYOZQUYANN-AWEZNQCLSA-N 330.388 1.709 0 40 EDAB CCOc1ncccc1CNS(=O)(=O)c1ccc(C(N)=O)cc1 40501658 KFIXQIGUZGCYRJ-UHFFFAOYSA-N 335.385 1.058 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 51239765 QSWBMTIJDBZNHD-SNVBAGLBSA-N 349.403 1.654 0 40 EDAB COC(=O)[C@H]1Cc2nc[nH]c2CN1C(=O)c1cn2cccc(C)c2n1 20542766 PHBXKCYQCDTPBD-CQSZACIVSA-N 339.355 1.106 0 40 EDAB CCOc1ccc(-c2noc(CN(C)CC(=O)NC3CC3)n2)cc1 32777204 VEDJWHMMGSTSHE-UHFFFAOYSA-N 330.388 1.846 0 40 EDAB CCOc1ccc(C(=O)NCC(=O)N[C@@H](C)Cn2ccnc2)cc1 52749694 QATSCUBUGWDHGQ-ZDUSSCGKSA-N 330.388 1.217 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3c[nH]ccc3=O)c(C)c12 52966098 ZQUTUXFXBXTKDJ-UHFFFAOYSA-N 341.371 1.138 0 40 EDAB C[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccccc1 22409486 HKNAZEDNUIRYGF-NSHDSACASA-N 340.426 1.374 0 40 EDAB O=C1CCN(Cn2c(=O)oc3cc(Br)ccc32)CCN1 42093281 ODKSPJJGLSAAGX-UHFFFAOYSA-N 340.177 1.136 0 40 EDAB O=C(NCc1ccccc1)[C@@H]1CSCN1C(=O)c1ccc(=O)[nH]c1 42042968 IWUNTRMZNYTSQN-AWEZNQCLSA-N 343.408 1.206 0 40 EDAB Nc1cc(CCCNC(=O)NC[C@@H]2CCOC2)nn1-c1ccccc1 47068029 XFOGDGPGSIRBEI-AWEZNQCLSA-N 343.431 1.723 0 40 EDAB CN1N=C(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CCC1=O 22678660 QLHATEMHUCCPAD-CQSZACIVSA-N 332.404 1.531 0 40 EDAB Cc1ccc2c(c1)N(C(=O)CN1C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)CC2 104042630 YFOHHIMZZNQFQL-DFEHZGFQSA-N 336.391 1.691 0 40 EDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)NCc1ccco1 54092316 ZXRAFMUDQGXRJQ-UHFFFAOYSA-N 342.399 1.428 0 40 EDAB COc1ccc(OCC(=O)NS(=O)(=O)c2ccc(C)s2)cc1 42318479 RYWCJEPOVJYKDM-UHFFFAOYSA-N 341.410 1.949 0 40 EDAB CCOC(=O)[C@]1(CC)C(=O)O[C@@H](C(=O)NC2CCCCC2)[C@H]1C 4559539 YGKNEFFMXHQDKE-CJBNDPTMSA-N 325.405 1.956 0 40 EDAB CCC[C@H](N[C@H](C)C(=O)N1[C@@H](C(=O)O)C[C@H]2CCCC[C@H]21)C(=O)O 6779180 ODAIHABQVKJNIY-RKQHYHRCSA-N 340.420 1.462 0 40 EDAB CN1[C@H](CN2CCCC2)C[C@@H]2CN(C(=O)c3cccn3C)CC[C@@H]21 107203112 TZORPOXITIYTMC-IKGGRYGDSA-N 330.476 1.656 0 40 EDAB CCOC(=O)c1ccc(Sc2nnnn2C[C@H]2CCCO2)nc1 24055049 UJSJHKXMOPEPSN-LLVKDONJSA-N 335.389 1.575 0 40 EDAB O=C(NCc1ccccc1)NCc1ccnc(N2CCOCC2)c1 24740469 WAUWFQYINYWIIC-UHFFFAOYSA-N 326.400 1.918 0 40 EDAB CC(=O)c1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 24969496 AVIRRRIKHMHRSL-UHFFFAOYSA-N 339.355 1.361 0 40 EDAB O=C(N1CCCC1)N1CCN(S(=O)(=O)c2cccs2)CC1 25047803 ZUJUCIZLTJBRTM-UHFFFAOYSA-N 329.447 1.270 0 40 EDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)Nc1cccc2c1OCCO2 107143454 JCUHHQLHMIGXTC-WDEREUQCSA-N 328.390 1.224 0 40 EDAB O=C1NC(=O)[C@@H](CC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)N1 57071880 MURNZJWMQUSUHM-ZYHUDNBSSA-N 342.355 1.132 0 40 EDAB O=C(O)Cc1c[nH]c(=O)n(-c2ccc(Oc3ccccc3)cc2)c1=O 20156450 WMGPQINOBYOJKF-UHFFFAOYSA-N 338.319 1.945 0 40 EDAB Cn1cc(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 26522442 KTURANCVSODGKO-UHFFFAOYSA-N 341.820 1.298 0 40 EDAB COCCCN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1)NC(=O)N2 9317221 FOTINROSYQWRRT-CQSZACIVSA-N 335.791 1.827 0 40 EDAB COCCN1CCCN(C(=O)c2ccc(Br)o2)CC1 44318004 AZMPOJKMDOZZTN-UHFFFAOYSA-N 331.210 1.836 0 40 EDAB CCCc1noc([C@H](C)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 44586899 XRTWVDZMADVJDR-KBPBESRZSA-N 336.436 1.654 0 40 EDAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCN(c2nccs2)CC1 57927067 MLTTUTCUMUZPHR-GFCCVEGCSA-N 335.433 1.979 0 40 EDAB COc1ccc(CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)c(OC)c1 27350414 JYEZTIOFMRJOGF-LLVKDONJSA-N 346.435 1.730 0 40 EDAB Cc1nnc(CN(C)CC(=O)N2CCN(Cc3ccccc3)CC2)o1 58017243 UQNZEYAXACOAGD-UHFFFAOYSA-N 343.431 1.154 0 40 EDAB Cc1c(OCC(=O)N[C@@H](C)C(=O)O)ccc2c3c(c(=O)oc12)CCC3 2096411 SSLMIWNSVLNZNY-JTQLQIEISA-N 345.351 1.558 0 40 EDAB biogenic C[C@H]1CN(CCNC(=O)NCCc2ccc3c(c2)OCO3)C[C@@H](C)O1 44952012 NCEGIECPHGGEMG-OKILXGFUSA-N 349.431 1.366 0 40 EDAB CCN(Cc1cccc(C)c1)Cc1nc2c(c(=O)[nH]c(=O)n2C)n1C 58343072 RFLJDKNLPKOLCS-UHFFFAOYSA-N 341.415 1.291 0 40 EDAB O=C(CNC(=O)OCc1ccccc1)Nc1ccc2oc(=O)[nH]c2c1 58357678 XZZIQJQYLJGLKI-UHFFFAOYSA-N 341.323 1.986 0 40 EDAB COC(=O)CN(Cc1ccccc1Cl)C(=O)Cn1cccnc1=O 58392343 JHOKAJCCUOLSAW-UHFFFAOYSA-N 349.774 1.099 0 40 EDAB CC(C)c1nn(C)c(N(C)C)c1CNC[C@@H](O)CN1CCCCC1 58393372 QJZOPNJHVMDEDG-OAHLLOKOSA-N 337.512 1.546 0 40 EDAB Cc1[nH]ccc1C(=O)N1CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 95408475 JNCDGMHLMPFMJT-INIZCTEOSA-N 346.475 1.872 0 40 EDAB COc1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 21559225 KHCJCZFVVVRPMA-PXAZEXFGSA-N 334.372 1.155 0 40 EDAB CC(C)[C@@H](C)NC(=O)CSc1nnc(C2CC2)n1CCC(N)=O 36656868 CHFOTXKMOVLZQI-SNVBAGLBSA-N 339.465 1.284 0 40 EDAB CCN(C1CCN(C(=O)Cc2ccc(C)nc2)CC1)S(C)(=O)=O 66844044 IXVBJCMOCAUZRB-UHFFFAOYSA-N 339.461 1.205 0 40 EDAB CNc1ccc(NC(=O)NC2CCN(c3ncccn3)CC2)cn1 48308598 SHTGMTKUYZLEND-UHFFFAOYSA-N 327.392 1.704 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 48302133 JAKJBPHQXFPUEQ-GFCCVEGCSA-N 329.322 1.928 0 40 EDAB O=C(c1ccc(N2CCOCC2)nc1)N1CCO[C@@H]2CCCC[C@H]21 46494513 RJAVDVPNHNQLMY-HZPDHXFCSA-N 331.416 1.702 0 40 EDAB NS(=O)(=O)c1ccc(OCCOC(=O)c2ccsc2)cc1 27980080 MVZIUCZDOSZUFN-UHFFFAOYSA-N 327.383 1.631 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCOCC1 29961994 PWHASRNTOXMNQD-SMDDNHRTSA-N 335.379 1.088 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 69935937 HDIKJQXOCSMTEP-GDBMZVCRSA-N 349.479 1.543 0 40 EDAB COc1ccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 12995107 PALOSPHXQOHLPB-UHFFFAOYSA-N 326.360 1.513 0 40 EDAB O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)NC[C@H]2CCCO2)c2ccccc21 4046740 LPVUBEMQVNVTLG-HYSWKAIVSA-N 344.367 1.142 0 40 EDAB biogenic CCn1cnnc1CNC(=O)N1CCO[C@@H](CCc2ccccc2)C1 97109824 PBRUNOVDIDJENR-INIZCTEOSA-N 343.431 1.841 0 40 EDAB CCc1nc(NC(=O)CN(C)c2ncnc3[nH]cnc23)sc1C 65156271 KGXVDKMROHDORB-UHFFFAOYSA-N 331.405 1.755 0 40 EDAB O=C(COCC(=O)N1CCc2ccccc2C1)NCc1ccco1 13942264 BLWCMXXWYUFUKY-UHFFFAOYSA-N 328.368 1.497 0 40 EDAB Cn1ccc(C(=O)N2CCCC[C@H]2C(=O)NC2CCCC2)cc1=O 65577918 WCKBDXQNYWHHLK-HNNXBMFYSA-N 331.416 1.439 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 65563527 JIRCWDSDCSXJTF-UHFFFAOYSA-N 332.337 1.380 0 40 EDAB Cc1cc(CN2CCO[C@@H](c3cnn(C)c3)C2)ccc1-n1cncn1 93647305 VIVHRXORFYLYPF-GOSISDBHSA-N 338.415 1.883 0 40 EDAB CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(CC(=O)OC)C1=S 4550006 HNIYEZHKZQSKEZ-GFCCVEGCSA-N 349.412 1.006 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5613846 YYUQCNNWWZVMGL-BXUZGUMPSA-N 326.393 1.315 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1P(=O)(O)O 9419887 NIVHCIGPXGRAQO-TXEJJXNPSA-N 327.317 1.658 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CCO1 66643802 HIPRWNUKBSIWQG-LBPRGKRZSA-N 342.317 1.450 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2ccc(Cl)cc2OC)CC1 67040013 ZGQUVLVTKKAUHX-UHFFFAOYSA-N 339.823 1.289 0 40 EDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(F)cc2)c2ccccc2O1 7252621 LNSIWWBUBWHNEH-INIZCTEOSA-N 343.358 1.778 0 40 EDAB CC(C)Cc1cc(C(=O)NCCc2n[nH]c(-c3ccco3)n2)[nH]n1 71896243 VUGQJQHNYSAOEN-UHFFFAOYSA-N 328.376 1.959 0 40 EDAB Cc1nn(C[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)c(=O)c2ccccc12 71825065 HNSYRQQMEVYWSF-GUTXKFCHSA-N 331.416 1.175 0 40 EDAB C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1cccc(N2CCCC2=O)c1 71831304 CAZAYDKNYABIER-LBPRGKRZSA-N 325.368 1.993 0 40 EDAB CC(C)Cc1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)n[nH]1 71883318 ZWVRZXMFMLYGEG-MRXNPFEDSA-N 347.463 1.163 0 40 EDAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H](N2CCNC2=O)C1 71830376 PGZRPUNGHYWKNT-CQSZACIVSA-N 339.399 1.707 0 40 EDAB COC(=O)c1[nH]c(C)cc1NC(=O)CCS(=O)(=O)C1CCCC1 71890914 WPNAMDZUSHBLDN-UHFFFAOYSA-N 342.417 1.796 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)OC)cc1 16206470 YVKAVXQVOFRSNN-NSHDSACASA-N 343.401 1.435 0 40 EDAB COC(=O)[C@@H]1CN(CC(=O)N2CCC(C)CC2)c2ccccc2O1 68759371 QXJRMWTYXWNRLC-INIZCTEOSA-N 332.400 1.686 0 40 EDAB CCN(CC)CCCn1c(SCC(N)=O)nc2ccccc2c1=O 8247063 APUQOSNDRVYYBL-UHFFFAOYSA-N 348.472 1.706 0 40 EDAB O=C1CCC(=O)N1c1cc(O)nc2nc(COc3ccccc3)nn12 16993932 ZPFYWGBJFHHECU-UHFFFAOYSA-N 339.311 1.062 0 40 EDAB Cc1ccc2nc(CN3CCO[C@@H](Cn4cccn4)C3)cc(=O)n2c1 69376873 QLAZVXYGAXUPKF-MRXNPFEDSA-N 339.399 1.100 0 40 EDAB CC1CCN(C[C@@H](O)CN2CCN(c3nccs3)[C@H](C)C2)CC1 95373345 OVIIRCVZMDBWLB-HZPDHXFCSA-N 338.521 1.746 0 40 EDAB COc1cccc(CN2Cc3ncnn3C[C@H](C(=O)N(C)C)C2)c1 306135155 OJKLUAQWLZALLB-CQSZACIVSA-N 329.404 1.007 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCc2c(ncn2C)C1 69486470 FQCCTUVACPMICX-STQMWFEESA-N 330.436 1.973 0 40 EDAB Cc1noc([C@H](C)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 69413688 PUZAJADKWFOOQN-SWLSCSKDSA-N 329.404 1.283 0 40 EDAB CCN1CCN(C(=O)NCC(=O)N(CC)Cc2ccccc2)CC1 72030674 HQNLHXLEQXPOPR-UHFFFAOYSA-N 332.448 1.382 0 40 EDAB C[C@@H](CO)NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C 84640277 LKPVHJOTJNJWIH-LBPRGKRZSA-N 344.415 1.741 0 40 EDAB CS(=O)(=O)NCCNC(=O)/C=C(/c1ccccc1)C(F)(F)F 69898835 PXRJLECBQODCRL-LUAWRHEFSA-N 336.335 1.298 0 40 EDAB Cc1ccc(S(C)(=O)=O)c(NC(=O)N[C@@H](C)c2nc(C)no2)c1 69818046 SVCZOMSTNKKBFD-VIFPVBQESA-N 338.389 1.973 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)Cc3c(C)noc3C)CC2)n1 69873040 MZEATOQVNHEXKM-UHFFFAOYSA-N 345.403 1.290 0 40 EDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@@H]1Cn1cccn1 69813413 HYSUTCMHVLXDMJ-HZPDHXFCSA-N 340.431 1.581 0 40 EDAB COc1ccccc1CCNC(=O)N(C)[C@H](C)CS(C)(=O)=O 69916971 HKSLQKWQAFHBFT-GFCCVEGCSA-N 328.434 1.312 0 40 EDAB CC(C)OC(=O)COC(=O)[C@@H](O)c1ccc(Br)cc1 69951798 CKMRHAKKQSIIKA-LBPRGKRZSA-N 331.162 1.977 0 40 EDAB COc1cccc(C(=O)NCC(=O)NCc2c(C)cc(C)[nH]c2=O)c1 9835553 YXLSKRGJDUFQHB-UHFFFAOYSA-N 343.383 1.047 0 40 EDAB NC(=O)C[C@H]1CCCN(C(=O)Nc2cnn(-c3ccccc3)c2)C1 97099201 KDHVGYDWLTTXGJ-CYBMUJFWSA-N 327.388 1.992 0 40 EDAB CN(CCN1C(=O)c2ccccc2C1=O)[C@H]1Cc2ccccc2[C@@H]1O 97034152 HJRNGAASKPWLON-ROUUACIJSA-N 336.391 1.873 0 40 EDAB COc1cccc(CCC(=O)NC2(c3nn[nH]n3)CCCC2)c1OC 72288638 GSWRFFRQQAMIAH-UHFFFAOYSA-N 345.403 1.735 0 40 EDAB COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1nc(Cc2ccccc2)no1 95994238 DGKXZBDDDKIWTB-GJZGRUSLSA-N 345.399 1.813 0 40 EDAB CCOc1ccc(NC(=O)[C@@H](C)Sc2nc(N)nc(N)n2)cc1 9952786 YCVDCTQPBTZHOG-MRVPVSSYSA-N 334.405 1.554 0 40 EDAB CN(C)c1nccc(N2CCN(C(=O)/C=C/c3ccsc3)CC2)n1 75143935 USFQWVDFSULOBG-ONEGZZNKSA-N 343.456 1.966 0 40 EDAB O=C(CCNC(=O)OCC(F)(F)F)NCC1(O)CCCCCC1 75141843 JZMRBVTUSNDKQU-UHFFFAOYSA-N 340.342 1.867 0 40 EDAB Cc1nc(CCNC(=O)N2CCC[C@@H](c3nncn3C)C2)cs1 89709096 MYJLKLQTHPBLRA-GFCCVEGCSA-N 334.449 1.712 0 40 EDAB CC(C)(C)c1csc(CN2CCN(CCS(C)(=O)=O)CC2)n1 89933860 DBKFBOKMJNQOQL-UHFFFAOYSA-N 345.534 1.603 0 40 EDAB COc1c(C)cccc1C(=O)NC(=S)Nc1nnn(CC(C)C)n1 21596277 LBIXWCFPUKGGAW-UHFFFAOYSA-N 348.432 1.773 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 65493323 KDMLVYJEHDOFKE-CQSZACIVSA-N 344.463 1.816 0 40 EDAB Cn1cc(CN2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)cn1 306143037 XRKWTEBALSPFLJ-IAGOWNOFSA-N 331.420 1.067 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 36137565 LAGBIJVZKQFXIO-UHFFFAOYSA-N 333.413 1.601 0 40 EDAB Cc1cc(N2CCC[C@@H](C(=O)NC3CCCC3)C2)n2ncnc2n1 35315022 ZPKDQOKOBLGFCQ-CYBMUJFWSA-N 328.420 1.708 0 40 EDAB CCn1ncc(CN2C(=O)N[C@@]3(CCc4ccc(OC)cc43)C2=O)n1 521395004 NXENBNLUEAGOHA-QGZVFWFLSA-N 341.371 1.200 0 40 EDAB C[C@@H](C(=O)NCc1cccc(C(=O)NC2CC2)c1)c1ccnn1C 521396359 QICOUFGUILZZOB-GFCCVEGCSA-N 326.400 1.732 0 40 EDAB COCCNC(=O)Nc1nnc(SCc2ccccn2)s1 35590166 OVBLBDHVNWKYSW-UHFFFAOYSA-N 325.419 1.993 0 40 EDAB CN1C[C@H](NC(=O)c2cn(C)nc2-c2ccccc2Cl)CC1=O 78718559 BCSLWECUGAMOQM-SNVBAGLBSA-N 332.791 1.701 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3cc(C)n(C(C)(C)C)n3)CC2)no1 79001500 YUMYZMYTTTYQPG-UHFFFAOYSA-N 346.435 1.596 0 40 EDAB CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1nc2ccccc2[nH]1 32301699 CGFAJUVEMJTJSF-RISCZKNCSA-N 346.456 1.952 0 40 EDAB Cc1cc(NC(=O)C2CN(S(C)(=O)=O)C2)ccc1Br 70817637 MARGGDPDBYFVBL-UHFFFAOYSA-N 347.234 1.587 0 40 EDAB Cc1nccn1-c1cncc([C@H]2CCCN2C(=O)CN2CCCC2)n1 72378799 ICEOREGFJJWYQN-MRXNPFEDSA-N 340.431 1.730 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](C(=O)O)C(F)(F)C1 561856552 NIFBYQIFKCZXSN-JTQLQIEISA-N 349.355 1.734 0 40 EDAB O=C(O)[C@H]1C[C@@H](O)CN1C(=O)COc1ccc(Cl)cc1Cl 37450053 WMCQRHDBSKYLHY-PSASIEDQSA-N 334.155 1.419 0 40 EDAB C[C@@H](O)CNS(=O)(=O)Cc1ccc(Cl)cc1Br 180919697 UIMZSWHWZOXXIB-SSDOTTSWSA-N 342.642 1.903 0 40 EDAB CCCCN1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)O)CC1 564660863 JEYXHJZZBKNJKZ-UHFFFAOYSA-N 344.433 1.701 0 40 EDAB O=C1CC[C@@H](NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)CN1 195567333 ZBHXOWHDFSRWSG-GFCCVEGCSA-N 333.388 1.887 0 40 EDAB COC[C@H]1C[C@@H](NCc2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H]1O 225508608 ZSYCJFZCIJNTNO-ZRJCITRHSA-N 335.322 1.432 0 40 EDAB biogenic,in-vitro Cc1cc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)cc(C)c1O 575603117 BJGDCOPQUFUGBI-KRWDZBQOSA-N 331.460 1.795 0 40 EDAB CCN1CCN(c2ccnc3c2c(C)nn3C)C[C@@H]1c1ncc[nH]1 575603599 IRFQJZGXCQOIFQ-CQSZACIVSA-N 325.420 1.883 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCSc2ncn[nH]2)cc1C 222995863 AIGJECMBVAKBFG-UHFFFAOYSA-N 342.446 1.582 0 40 EDAB Cc1ccn(C)c1C(=O)N(C)CCN(C)C(=O)c1c(C)ccn1C 190360595 DHZRCTJGARKYTQ-UHFFFAOYSA-N 330.432 1.825 0 40 EDAB Cc1csc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CCCC3)C2)n1 96209513 ITJJJDMRDKQVGF-PBHICJAKSA-N 335.473 1.912 0 40 EDAB O=C1N[C@]2(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)C[C@H]3C[C@@H]1[C@H]2C3 585090325 GFCSPRBDAJOZNA-SGODGFQQSA-N 344.802 1.747 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)NC(=O)C[C@H]2c1ccncc1 96199901 VRYSHNFDLJBEGJ-HNNXBMFYSA-N 325.416 1.453 0 40 EDAB COCCN1CCC[C@H]1CNC(=O)N1CCC[C@H](c2ncc[nH]2)C1 332823890 GORFUKMZFZTXGJ-GJZGRUSLSA-N 335.452 1.410 0 40 EDAB CCn1nccc1/C=C/C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C 95435340 DJFCRFFWDDSKIX-WXQDYTQUSA-N 346.475 1.922 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CC(=O)N3Cc2csc(C)n2)[nH]n1 96081319 AMJNHDMKVFPILQ-ZIAGYGMSSA-N 345.428 1.499 0 40 EDAB Cc1cnc(NC(=O)Cc2ccc(OCc3nnnn3C)cc2)s1 96101411 OOLBUTHTRJEAMO-UHFFFAOYSA-N 344.400 1.735 0 40 EDAB C[C@H]1c2ncc(CNC(=O)C3CC3)n2CCN1Cc1cccnc1 96201307 OTRZLVJYMAMTEW-ZDUSSCGKSA-N 325.416 1.881 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 96055474 AQGZENVWZRHBLK-CWRNSKLLSA-N 340.383 1.570 0 40 EDAB O=c1cc(Cn2cncn2)nc2n1CCCN(Cc1cccs1)C2 96197590 GVELPPUYSFWDTL-UHFFFAOYSA-N 342.428 1.351 0 40 EDAB CN(C)CCOC[C@H]1CN(C(=O)c2cscn2)Cc2ccnn2C1 96188976 YCYXMYUHDLKEOJ-ZDUSSCGKSA-N 349.460 1.190 0 40 EDAB CCCc1ccc(S(=O)(=O)NC[C@@H]2CCN(C(N)=O)C2)cc1 585114930 FSFZCISWTJJPJF-ZDUSSCGKSA-N 325.434 1.318 0 40 EDAB CC[C@@H]1C(=O)NCCN1Cc1c(Br)cncc1OC 585117590 MCCQKNDMIBQANT-LLVKDONJSA-N 328.210 1.563 0 40 EDAB CC(C)CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 585129313 FOIWMNNDJNRYHF-UHFFFAOYSA-N 340.445 1.218 0 40 EDAB CN(C)c1ccc([S@@](C)(=O)=NC(=O)[C@H]2CCc3nn[nH]c3C2)cc1 585134460 VBSWNNXHSNCNGI-APXPCNQMSA-N 347.444 1.659 0 40 EDAB Cc1ccccc1CNC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N(C)C)C1 96252822 LOFXYOUFQWIFOP-OWCLPIDISA-N 331.416 1.382 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(F)c2)[C@]1(COC)C(N)=S 242547870 KXGCUUZIGAHKCT-SCRDCRAPSA-N 331.434 1.645 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](C)(C(=O)OC)N[C@H]2c1ccccc1C 245230457 SEKYBLVOEUSLDW-MOROJQBDSA-N 330.384 1.192 0 40 EDAB Cc1nc(C)c(C(=O)N2CCO[C@H](c3nccnc3N(C)C)C2)s1 257307322 SYENGWJCDPLJPC-LBPRGKRZSA-N 347.444 1.830 0 40 EDAB CNc1ncccc1CN1CC[C@@H]2OCC(=O)N(CC(C)C)[C@H]2CC1 257292396 QLGYFDDTRRYBHL-IRXDYDNUSA-N 346.475 1.971 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ccccc1F 257254790 KERVUUUVARIVDZ-QGZVFWFLSA-N 328.347 1.493 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@]2(N)CN)cc1 252513926 AXBGAARAMWESOR-BRWVUGGUSA-N 334.416 1.730 0 40 EDAB CN(C(=O)c1ccccc1F)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257282564 OUGYYIVTVIDCLS-BRWVUGGUSA-N 336.407 1.512 0 40 EDAB Cc1cc(N)nc([C@@]2(C)CCCN2S(=O)(=O)c2cccnc2)n1 257319694 VTQLHFYRLFXKMW-OAHLLOKOSA-N 333.417 1.462 0 40 EDAB Cc1ncccc1C(=O)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257296151 RBLXRZJSNQFDKX-IRXDYDNUSA-N 337.379 1.646 0 40 EDAB CN1C(=O)CCCc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc21 252492696 MSPJMLKQGKETIS-ZDUSSCGKSA-N 338.429 1.443 0 40 EDAB Cc1cc(-c2cc(C)nc(C3CCN(S(C)(=O)=O)CC3)n2)[nH]n1 257200185 ACHLGIQIPWNOLG-UHFFFAOYSA-N 335.433 1.623 0 40 EDAB COC[C@@H](NC(=O)N1CCC=C(Br)C1)[C@H]1CCCO1 252484257 FTCDMROTIXEIKM-VXGBXAGGSA-N 333.226 1.875 0 40 EDAB O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCC[C@H](c2ncc[nH]2)C1 270071582 OEHNUANUIRUIOS-GJZGRUSLSA-N 340.431 1.973 0 40 EDAB Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1cn(C)nn1)CCC2 1615606124 SARAMMWWTTUSKT-SNVBAGLBSA-N 327.435 1.278 0 40 EDAB C[C@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)[C@@H](C)NC(N)=O 1616032272 KINODVUYULIDKU-WDEREUQCSA-N 340.374 1.449 0 40 EDAB O=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)c2cccs2)C1 96122126 XGTAVZFVYMPBJW-UHFFFAOYSA-N 347.439 1.329 0 40 EDAB Cc1nnc2c(N3CC[C@@H](NC(=O)c4cccc(F)c4)C3)nccn12 390830419 KZYFPAVLBGMZPZ-CQSZACIVSA-N 340.362 1.581 0 40 EDAB CCOCC(=O)N1CC2(C[C@H](OCc3csc(C)n3)CCO2)C1 575403606 JCDDIHBYKXQKMK-CQSZACIVSA-N 340.445 1.765 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)CCn1ncc2ccccc21 585287683 APDJJOJHQXRPKF-NUJGCVRESA-N 347.415 1.314 0 40 EDAB O=C(N[C@H](c1ccc(F)cc1)c1ncc[nH]1)[C@H]1CCS(=O)(=O)C1 585124097 WYESQLKLWYJICQ-WCQYABFASA-N 337.376 1.189 0 40 EDAB CN1C[C@@H](COCc2ccccn2)CC12CN(Cc1cn[nH]c1)C2 585093856 KCYUKIRVGDHIQI-HNNXBMFYSA-N 327.432 1.528 0 40 EDAB Cc1noc([C@@H](C)NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)n1 65501105 RESLQXKMEWEVLK-ZWNOBZJWSA-N 346.412 1.771 0 40 EDAB CCc1noc([C@@H](C)N2CCN(Cc3nnc(C4CC4)o3)CC2)n1 69443437 FSSPBMWHHOHFEE-LLVKDONJSA-N 332.408 1.771 0 40 EDAB NS(=O)(=O)c1cnn(CC(=O)Nc2c(Cl)cccc2Cl)c1 71916347 BWNRFLJMDBGWPV-UHFFFAOYSA-N 349.199 1.476 0 40 EDAB Cc1cnc(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)s1 44896076 YUMFKLONYDXYOV-LLVKDONJSA-N 334.323 1.964 0 40 EDAB COc1ncccc1CNC(=O)N1CCN(Cc2cc(C)on2)CC1 45965716 RUBBAVMXVVYNMF-UHFFFAOYSA-N 345.403 1.414 0 40 EDAB Cc1nnc2ccc(N3CCCN(C(=O)[C@H]4CC=CCC4)CC3)nn12 1775986174 YXIAYJODGKLMJX-HNNXBMFYSA-N 340.431 1.828 0 40 EDAB Cc1cc(NC(=O)NC[C@H](O)CO[C@@H](C)c2ccccc2)n(C)n1 46870761 ZTKIKPMAMCBJID-ZFWWWQNUSA-N 332.404 1.989 0 40 EDAB C[C@H](NC(N)=O)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 56134673 ZQPKORVVHWNGKJ-JTQLQIEISA-N 337.807 1.818 0 40 EDAB O=C(OCCn1c(=O)oc2ccccc21)c1cc2c([nH]c1=O)CCC2 61450559 QSWPFBBHUSSUIK-UHFFFAOYSA-N 340.335 1.629 0 40 EDAB O=C(NC[C@@]1(O)CCSC1)[C@@H]1CCCN1C(=O)Cc1ccccc1 82967260 NRZVPDHPXPGPTM-YJBOKZPZSA-N 348.468 1.204 0 40 EDAB CNS(=O)(=O)c1ccc(N2CCC[C@H](c3noc(C)n3)C2)nc1 76050252 YSJIDSVGXJZMKJ-NSHDSACASA-N 337.405 1.065 0 40 EDAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCCC1(C)C 77353345 YVBKHZSSOOOEOL-UHFFFAOYSA-N 348.447 1.249 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)O)cc1C 548203592 SPPYFIFACKAPAD-OCCSQVGLSA-N 327.402 1.462 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)NCc1cccnc1-n1cccn1 40527695 LIQBZBAZOGXSNI-UHFFFAOYSA-N 349.460 1.866 0 40 EDAB O=C(O)[C@H]1COCCN1C(=O)COc1cccc(Br)c1 88375611 XNOXQKZVDJJFJZ-LLVKDONJSA-N 344.161 1.140 0 40 EDAB CC(=O)Nc1cccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)n1 5740423 GRNMTRGGZXILCO-UHFFFAOYSA-N 348.384 1.859 0 40 EDAB CC(C)c1cc(C(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)no1 12406461 FIOWASMSGUVBPW-LLVKDONJSA-N 345.403 1.989 0 40 EDAB Cc1nc(C)c(C(=O)N2CCO[C@@H](C(=O)N3CCCCC3)C2)s1 19747193 ZBIZWEYKXUGYIJ-CYBMUJFWSA-N 337.445 1.613 0 40 EDAB NC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1 19937266 UTQKNYFRFROJFJ-UHFFFAOYSA-N 334.335 1.788 0 40 EDAB CC(=O)N1CCN(Cc2cccc3[nH]ccc23)C[C@@H](C(=O)N(C)C)C1 607853326 LAIJIVUIRFJLIE-MRXNPFEDSA-N 342.443 1.536 0 40 EDAB COc1ccc(-c2nnc(SCCN3CCOCC3)n2C)cc1 35605770 NWZZZTAXZJTRCD-UHFFFAOYSA-N 334.445 1.915 0 40 EDAB COc1ccccc1CNC(=O)Cn1nnc(-c2ccccc2C)n1 3334940 LWOLQMCZBHUSAX-UHFFFAOYSA-N 337.383 1.974 0 40 EDAB CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccon2)cc1 11403012 KKKBVVDGEPVWJP-UHFFFAOYSA-N 332.312 1.828 0 40 EDAB O=C([C@@H]1CC=CCC1)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888866247 HZUSUZGYKWRBQE-KFWWJZLASA-N 338.415 1.375 0 40 EDAB COc1cnc(OC2CCN(c3cc(C)nc4ncnn34)CC2)nc1 1889148744 UCTAQGYZZPGBTK-UHFFFAOYSA-N 341.375 1.279 0 40 EDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccccn2)C1=O 23946074 HPRDSQDHDNTKSI-SFHVURJKSA-N 338.367 1.670 0 40 EDAB COC(=O)C[C@]12[C@H]3[C@@H]4[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@]1(Br)C41OCCO1 239562904 KVZLCQLDCJROEQ-KJIXCPMISA-N 327.174 1.178 0 40 EDAB CCOC(=O)N[C@]1(C(F)(F)F)N=C(c2ccc(C)cc2)NC1=O 3623738 ZWJHZABEVGCCQZ-CYBMUJFWSA-N 329.278 1.876 0 40 EDAB CCOC(=O)[C@@]1(C(F)(F)F)N=C(c2cccnc2)OC(N(C)C)=N1 4207754 RUBSXBXSCXARIZ-CYBMUJFWSA-N 344.293 1.598 0 40 EDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(Cc2ccccc2)CC1 2055747287 VOGFQLQKPQRGTJ-UHFFFAOYSA-N 341.459 1.955 0 40 EDAB O=C(NCCNc1cc(-n2cccn2)ncn1)c1ccc(F)cc1F 23144432 WTBRLVLRSOGSHA-UHFFFAOYSA-N 344.325 1.782 0 40 EDAB COc1cnc(O[C@@H]2CCN(c3nccc(C(F)(F)F)n3)C2)nc1 2086884547 ITWIQHBCAFLVNH-SECBINFHSA-N 341.293 1.952 0 40 EDAB O=S(=O)(NCCn1ccn2nccc12)c1ccc2c(c1)CCCC2 206746700 WQMNGPPIUNJBAY-UHFFFAOYSA-N 344.440 1.993 0 40 EDAB Cc1nccn1CCNC(=O)c1ccc(OC2CCOCC2)nc1 225711002 JIFXPYYEWOEJHO-UHFFFAOYSA-N 330.388 1.574 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1cccc2[nH]ccc12 575616728 MGTBZJLXUNKUQL-UHFFFAOYSA-N 333.351 1.703 0 40 EDAB O=C1C[C@@H](C(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)N1 585128021 PTAZCBAAWVAMSO-LBPRGKRZSA-N 335.816 1.892 0 40 EDAB COc1ccc(CCC(=O)N2CC(Nc3ccncn3)C2)c(OC)c1 618256576 UNHOUAZPWXTEBT-UHFFFAOYSA-N 342.399 1.749 0 40 EDAB COc1ccc2nc(N3CCC[C@H](NS(C)(=O)=O)C3)sc2c1 2298212749 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O=C(Nc1nncs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24760791 WLIYXABJKFLZII-QMMMGPOBSA-N 332.341 1.258 0 40 EDAB COc1cccc([C@H](NC(=O)NC[C@H]2CCCO2)c2nccn2C)c1 47594363 TUSTWDNABXQPHY-CVEARBPZSA-N 344.415 1.996 0 40 EDAB COc1ccccc1OCC(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 43055492 DQSGBSVFGHSQEI-AWEZNQCLSA-N 328.368 1.956 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)N[C@H](C)[C@@H]2CCCO2)c1 106565404 YWCFFJPNHXUMHG-DFBGVHRSSA-N 338.404 1.604 0 40 EDAB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@@]23C=C[C@H]1O3 100885893 RPEILDMSBKWTGO-OLMMMNRUSA-N 327.380 1.574 0 40 EDAB CCN1CCO[C@@H](CN2CCN([C@H](C)c3nc(C4CC4)no3)CC2)C1 106929239 MJFDJSRFUOYDEX-GDBMZVCRSA-N 349.479 1.346 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)Cn3cccnc3=O)c2O1 25303007 VBLFPOWYRHOBFB-UHFFFAOYSA-N 343.383 1.152 0 40 EDAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(F)(F)F)c(Cl)c1 56103831 RPKGYNGBNOJKSR-UHFFFAOYSA-N 344.742 1.605 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)C1 56803638 GKNRCAFXMQTHSP-CYBMUJFWSA-N 349.406 1.391 0 40 EDAB 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40 EDAB COc1ccccc1C(=O)OCC(=O)NC(=O)NCc1ccccc1 3433636 SKJFJVSHHFTMKA-UHFFFAOYSA-N 342.351 1.878 0 40 EDAB O=S(=O)(c1cc(F)cc(F)c1)N1CCN(c2nccs2)CC1 12945329 DMRQQJQZIPPCNE-UHFFFAOYSA-N 345.396 1.932 0 40 EDAB O=C(NCCCCCNC(=O)c1cncc(O)c1)c1cncc(O)c1 5156245 WIQXKZCGMVZITJ-UHFFFAOYSA-N 344.371 1.218 0 40 EDAB NC(=O)c1ccsc1NC(=O)CN1CCC(c2cn[nH]c2)CC1 65595161 RFVNLIOUUMQNEI-UHFFFAOYSA-N 333.417 1.388 0 40 EDAB COCCCN1C(=O)c2ccc(C(=O)NC3CCCC3)cc2C1=O 14187417 VBZWBKXIIMTXPL-UHFFFAOYSA-N 330.384 1.992 0 40 EDAB CCOCCCC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 65611774 RQFNOEQCTQVFAG-UHFFFAOYSA-N 344.415 1.664 0 40 EDAB Cc1cc([C@@H]2CCCN(CCN3C(=O)NC4(CCCC4)C3=O)C2)n[nH]1 84111191 AGXOTACIHOOOMH-CQSZACIVSA-N 345.447 1.762 0 40 EDAB CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC3CC3)[C@H]2CC1 63528452 GDMSQIZOJGVCEV-GJZGRUSLSA-N 336.457 1.943 0 40 EDAB CCOC(=O)[C@H](C)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 66568401 CFGSZBCUETXVNC-HNNXBMFYSA-N 339.480 1.204 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NN1C(=O)NC2(CCCCC2)C1=O 6993085 LNYGGOFELGDOPV-LBPRGKRZSA-N 331.372 1.740 0 40 EDAB CC[C@@H](C)NC(=O)Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O 67300180 UCDFZWBCAXQUNV-CYBMUJFWSA-N 343.427 1.668 0 40 EDAB Cc1ccc(-c2ccc(C(=O)NC3CCN(CC(N)=O)CC3)s2)o1 97081150 YTRKLSIBDCXCLB-UHFFFAOYSA-N 347.440 1.996 0 40 EDAB CC(=O)N[C@H](CC(=O)NCc1nnc2ccccn12)c1ccccc1 7898678 SMYWEVOISXYRMB-OAHLLOKOSA-N 337.383 1.613 0 40 EDAB C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H](c2ccccc2)O1 72289323 QSOHOQUSBPYBFT-TZMCWYRMSA-N 345.399 1.305 0 40 EDAB Cc1cc(C)n2nc(C)c(C(=O)N3CCC[C@H](n4cncn4)C3)c2n1 72272140 LBSCVJFVXFFSRI-AWEZNQCLSA-N 339.403 1.723 0 40 EDAB CNC(=O)c1sc(-c2ccc(S(=O)(=O)NC)cc2)nc1C 69162437 CLFOCBJXEZDQRI-UHFFFAOYSA-N 325.415 1.386 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C)C(=O)O)c1 9537171 GRBTUQUNVFYQAV-VIFPVBQESA-N 346.380 1.059 0 40 EDAB CCN(CC)S(=O)(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 69418341 AGSKYQSEAOSWOG-LBPRGKRZSA-N 335.470 1.562 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@H]1CCN(c3ccc(F)cc3)C1=O)C2 69461874 OOYIDXNAWWKFML-CQSZACIVSA-N 343.362 1.121 0 40 EDAB CC(C)(C)c1nc(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)cs1 69451999 MOORLYQJJLDXPS-CQSZACIVSA-N 330.475 1.677 0 40 EDAB COc1cccc(C[C@H]2NS(=O)(=O)c3ccccc3[C@@H]2O)c1OC 9576203 ZERNXQGWFDJTGH-CJNGLKHVSA-N 349.408 1.640 0 40 EDAB CC(C)CN1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 69571299 SEYMFYNSYPSLEL-UHFFFAOYSA-N 338.473 1.894 0 40 EDAB O=C(CCN1CCC[C@H](CN2CCCCCC2)C1)N1CCOCC1 69535448 OMAGLHHFYLQYPG-GOSISDBHSA-N 337.508 1.823 0 40 EDAB NC(=O)CN1CCCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 71829264 HPTZRQCSHACMIC-SJLPKXTDSA-N 345.443 1.174 0 40 EDAB CN1CCN(C(=O)c2csc(I)c2)CC1 69778064 ROFVMFAWFGWOMU-UHFFFAOYSA-N 336.198 1.740 0 40 EDAB O=C(N[C@H]1COc2ccccc21)[C@H]1CC(=O)N(Cc2ccco2)C1 71844154 LZHDDPCFJHFLHB-WFASDCNBSA-N 326.352 1.878 0 40 EDAB Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[C@@H]3C3CCCC3)cnc21 71821434 RGNMQWRGXJKKQC-CQSZACIVSA-N 342.399 1.417 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 69872335 ZRDZDXZUTBICCD-QGZVFWFLSA-N 340.427 1.458 0 40 EDAB Cc1csc(N2CCN(CC(=O)Nc3cc(C)nn3C)C[C@H]2C)n1 69946512 BWJKZXGZGBYTSA-CYBMUJFWSA-N 348.476 1.643 0 40 EDAB Cc1ccc(SCCC(=O)N[C@H](CCC(=O)O)C(=O)O)cc1 8762448 FZSZGZSLUPEGSD-GFCCVEGCSA-N 325.386 1.911 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1cccc2nsnc12 19078122 NXRJCRIMXPWCHQ-UHFFFAOYSA-N 337.368 1.984 0 40 EDAB COc1cc(CC(=O)N2CC[S@](=O)C[C@H]2C)cc(OC)c1OC 71916603 ZWHSVQVHLXTVCM-QVQLBTGDSA-N 341.429 1.234 0 40 EDAB CCCc1cc(NC(=O)N2CCN(c3ccnc(C)n3)CC2)n(C)n1 97136102 RAMLRDDBWCMONH-UHFFFAOYSA-N 343.435 1.825 0 40 EDAB Cn1ccnc1-c1cc(NC(=O)NC[C@@H](O)c2ccccc2)n(C)n1 97113560 AQSVBBMBFZZVDP-CQSZACIVSA-N 340.387 1.676 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCCC2)o1 95459457 QHDQSWORSSXFDU-ZDUSSCGKSA-N 326.418 1.754 0 40 EDAB Cc1ccc(CN(CC(=O)O)C(=O)CCNC(=O)c2ccco2)cc1 95424502 WKIMPBCMFYKIQQ-UHFFFAOYSA-N 344.367 1.821 0 40 EDAB CO[C@]1(C)C[C@@H](NC(=O)CCn2nc3ccccn3c2=O)C1(C)C 73263821 JOYGUDXJQCGTLK-SJKOYZFVSA-N 332.404 1.206 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N1CCCN(Cc2ccccc2)CC1 95946662 KZQKOXKJXJJTMV-SFHVURJKSA-N 329.444 1.732 0 40 EDAB CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 95993564 WMEBPZRTZDNLTE-KKUMJFAQSA-N 339.480 1.824 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(=O)[nH]c3)cn2)C[C@@H](C)O1 89936855 PFHLPIALIQCDSX-CHWSQXEVSA-N 342.399 1.314 0 40 EDAB CCCCCOC[C@@H](O)CNCCNC[C@@H](O)COCCCCC 22947457 PSPSDCDWUSVNRF-HDICACEKSA-N 348.528 1.301 0 40 EDAB O=C1NC(=S)N/C1=C/c1cc(I)ccc1O 408722250 SGRJITPVMSHKPO-QPJJXVBHSA-N 346.149 1.342 0 40 EDAB C[C@H]1O[C@@H](Nc2ccc(OC(F)(F)Cl)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 4185490 SSZQWCRMTHHHNO-OVBJLEGISA-N 339.722 1.094 0 40 EDAB O=C(O)c1ccc(CNS(=O)(=O)Cc2noc3ccccc23)o1 547931918 OELHHEHYVJPPHY-UHFFFAOYSA-N 336.325 1.739 0 40 EDAB CC(C)CC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccnc1 306142893 XNIXOARWLKJFCY-INIZCTEOSA-N 345.443 1.865 0 40 EDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccncc2)cc1 408612845 ZFBQUDZPQLTMFK-LBPRGKRZSA-N 349.412 1.073 0 40 EDAB CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)ccn1 72369439 USAPOULGTNZVEV-OAHLLOKOSA-N 340.427 1.866 0 40 EDAB COC(=O)[C@H]1CN(C(=O)c2cncc(O)c2)C[C@@H]1c1ccc(F)cc1 72346708 PCCGSWKFNXANAX-CVEARBPZSA-N 344.342 1.955 0 40 EDAB CCNC(=O)Nc1ccc([C@H]2OCC(=O)N(C(C)C)[C@@H]2CO)cc1 72321165 CMGHLBAJXAPOEF-GDBMZVCRSA-N 335.404 1.497 0 40 EDAB biogenic,in-vitro CN1CCN(C)[C@@H](CNC(=O)N2CCC[C@](C)(c3ccccc3)C2)C1 79098677 IIWJNSCMUCUJCL-ICSRJNTNSA-N 344.503 1.996 0 40 EDAB O=C(c1cc2c(cn1)OCCC2)N1CC[C@@H](Nc2ncccn2)C1 1056677757 BDBXKBNBJBCCTD-CYBMUJFWSA-N 325.372 1.523 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2F)C1 78602810 HMSCGOQBKAJIGM-LBPRGKRZSA-N 341.358 1.130 0 40 EDAB CCN(CC(F)(F)F)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 73211069 OUDHCWCNMOYFSE-LBPRGKRZSA-N 342.317 1.916 0 40 EDAB Cc1cccnc1[C@H](NCC(=O)N1CCC[C@H](C(N)=O)C1)C(C)C 72296428 GMDVBFWVCGGAGR-GOEBONIOSA-N 332.448 1.401 0 40 EDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCCCC[C@H]1c1ncon1 189607604 BCEYHADBQFTMJF-AWEZNQCLSA-N 339.359 1.803 0 40 EDAB Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCNC[C@@H](CC(=O)O)C1 71764602 XJZHICJENFMLKJ-CYBMUJFWSA-N 342.399 1.521 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 73118232 WTFYBGDTZSJILK-GFCCVEGCSA-N 335.477 1.297 0 40 EDAB C[C@@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)C(=O)NC(N)=O 69659847 RXNCHVUHZSQWHF-MWLCHTKSSA-N 325.340 1.379 0 40 EDAB C[C@@H](C(=O)N1CC(CC(F)F)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 572835776 VIENIEFHJPIBGJ-ZMLRMANQSA-N 328.359 1.664 0 40 EDAB CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)NC)c2)cc1 225410438 ATTCMUNLHBPIHE-UHFFFAOYSA-N 348.424 1.923 0 40 EDAB Cc1ccc(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)cn1 96067088 NXZHKAVDCWTYNS-AWEZNQCLSA-N 337.387 1.150 0 40 EDAB CS(=O)(=O)N[C@@H]1COCCC12CCN(Cc1ccsc1)CC2 96216989 BNUXTWXJQXZEKL-CQSZACIVSA-N 344.502 1.668 0 40 EDAB O=C(O)[C@H]1CCCN(S(=O)(=O)NCCCc2cccc(F)c2)C1 578353699 RYEIGHZCAAYSEX-ZDUSSCGKSA-N 344.408 1.389 0 40 EDAB O=C(CO)N[C@H]1CN(c2nccc(C3CCCC3)n2)C[C@@H]1C1CC1 91745570 KTUQGSYYGXUROB-ZBFHGGJFSA-N 330.432 1.458 0 40 EDAB CN1N=C(C(=O)NCCc2nc(C(F)(F)F)cs2)CCC1=O 96432839 GORSNNXNFQTKEQ-UHFFFAOYSA-N 334.323 1.429 0 40 EDAB Cc1noc(C)c1CN1CCC2(CCC(=O)N2CCN(C)C)CC1 96228043 VNRFMZDALJSSTK-UHFFFAOYSA-N 334.464 1.810 0 40 EDAB COC(=O)CNC(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12 95474561 HZUVTAAKBAPCSQ-UHFFFAOYSA-N 336.347 1.894 0 40 EDAB O=C1OCCN1C1CCN(c2nccc(-c3cccnc3)n2)CC1 96179958 NMKZYADIGRMORV-UHFFFAOYSA-N 325.372 1.960 0 40 EDAB Fc1cnc(N2CC[C@H]3[C@@H](CC2)OCCN3Cc2ccncc2)nc1 96249419 QMJKMJSJHHZVIW-DLBZAZTESA-N 343.406 1.881 0 40 EDAB O=C(c1ccncn1)N1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107836 NERIVKHNYNORMB-DYVFJYSZSA-N 326.356 1.324 0 40 EDAB Cc1noc([C@H]2CCC3(CCN(C(=O)c4ncccn4)CC3)O2)n1 96109987 QQVQRCRLQPUCBS-GFCCVEGCSA-N 329.360 1.695 0 40 EDAB Cc1ccoc1C(=O)NC[C@@H]1Cn2nnc(-c3cccnc3)c2CO1 96199239 ATISJKGJHIKLJJ-CYBMUJFWSA-N 339.355 1.570 0 40 EDAB CC1(C)CN(c2ccc3nnc(C(F)F)n3n2)CCS1(=O)=O 96481023 XSWANIDXRDHETQ-UHFFFAOYSA-N 331.348 1.075 0 40 EDAB O=C1C[C@@H]2[C@H](CCN2Cc2cccc(F)c2)N1CCN1CCOCC1 96183967 DYBKSJNAOMYFQO-ZWKOTPCHSA-N 347.434 1.333 0 40 EDAB Cc1cc(N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n2ncnc2n1 585132638 IIDQSDPBOPQGPN-DMDPSCGWSA-N 330.392 1.852 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@H]2CCN(C(N)=O)C2)cc(C)c1F 585115139 OGIUOOATUZSQCD-LLVKDONJSA-N 329.397 1.121 0 40 EDAB COc1ccccc1[C@H]1Cn2ccnc2CN1C(=O)C1CCNCC1 257212031 CBPMUMXHPTYOGB-MRXNPFEDSA-N 340.427 1.975 0 40 EDAB CNC(=O)[C@@]1(C)CN(C(=O)Cc2c(F)cccc2Cl)CCO1 257271095 MWVRYPMMBHTWND-OAHLLOKOSA-N 328.771 1.385 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)c3ncccn3)CC2)cn1 257258138 KSMVQTGWCMZESY-UHFFFAOYSA-N 340.431 1.423 0 40 EDAB Cc1cc(N)cc([C@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)n1 257200533 ADSCMBWHAUYEGJ-MRXNPFEDSA-N 329.404 1.963 0 40 EDAB CC(=O)NCc1cnc(CC2CCN(c3cnccn3)CC2)cn1 257281567 OPWJZHSAYXYGEZ-UHFFFAOYSA-N 326.404 1.362 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)c2cccs2)C1 257236644 HDBFBLDVNKKHPN-VIFPVBQESA-N 325.415 1.504 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)CCCn1cncn1 257282066 OSEZDMIBSKQWTM-HNNXBMFYSA-N 344.419 1.017 0 40 EDAB CCS(=O)(=O)c1ccc([C@H](C)NC(=O)C2(C(=O)OC)CC2)cc1 252489634 JVFFNQWWPXCFCM-NSHDSACASA-N 339.413 1.611 0 40 EDAB COC(=O)[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1ccsc1 252495754 OZDDPBUXSZAWTQ-MNOVXSKESA-N 340.430 1.920 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)c3cnccn3)CCN2C(C)=O)cc1 257250533 JMXIRKWSJHWGMR-KRWDZBQOSA-N 340.383 1.531 0 40 EDAB Cc1cccc(N2CCN(CCNC(=O)c3ccnn3C)CC2)c1 63502667 LPECMPZOIPEXQT-UHFFFAOYSA-N 327.432 1.281 0 40 EDAB C[C@@H](C(=O)NCc1cnn(C)n1)N1CCC(Cc2ccccc2)CC1 606442369 RPFHZUOUKPAKIT-HNNXBMFYSA-N 341.459 1.775 0 40 EDAB COc1cccc2c1OC[C@@H](NC(=O)c1cn3c(n1)CCCC3)C2=O 1614680472 CTUIZPBOBWDIJR-CYBMUJFWSA-N 341.367 1.602 0 40 EDAB O=C(O)[C@@H](F)[C@H]1CCN(S(=O)(=O)c2cccc3c2OCC3)C1 1614994392 LPNYJJRINQUXGA-JQWIXIFHSA-N 329.349 1.055 0 40 EDAB CCOc1cccc(Cc2noc([C@@]3(O)CCCN(C(C)=O)C3)n2)n1 1614997902 GVWQOWXPGVSCAK-QGZVFWFLSA-N 346.387 1.284 0 40 EDAB O=C(NC[C@@H]1COC[C@@H](O)[C@H]1O)c1ccc(-c2ccc(F)cc2)o1 585283819 FABHZUBDIAWSLQ-KFNAQCHYSA-N 335.331 1.184 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)Cn1cccn1 585178728 CZQSNYRFDCMINK-MRXNPFEDSA-N 342.399 1.324 0 40 EDAB Cc1ccc2c(CCNC(=O)[C@@H](C)N3C(=O)CCC3=O)c[nH]c2c1 68126362 VFTUKSFWBUNQTN-GFCCVEGCSA-N 327.384 1.673 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 70016279 WMTSWTLDWVURBA-GFCCVEGCSA-N 336.819 1.641 0 40 EDAB COc1cc(C)sc1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 70863279 SBXPBNBJDMDZHP-QMMMGPOBSA-N 336.335 1.958 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cccc[n+]1[O-] 70829875 VRHDELKEGICOII-CYBMUJFWSA-N 326.274 1.802 0 40 EDAB Cc1ncc2c(n1)CN(C[C@@H](O)COc1ccc3c(c1)OCO3)CC2 71859682 LGHLEGSYWZQIBH-CQSZACIVSA-N 343.383 1.312 0 40 EDAB CN(C)c1cc(N2CCN(c3ncnc4sccc34)CC2)ncn1 891710907 XAWMQANJRNGIGU-UHFFFAOYSA-N 341.444 1.874 0 40 EDAB C[C@@H](Nc1ncnc2c1cnn2C)c1cccc(S(N)(=O)=O)c1 54865048 WAQWTZWQTMIVDD-SECBINFHSA-N 332.389 1.184 0 40 EDAB Cn1c(C(=O)NCCn2nc3ccccn3c2=O)cc2ccccc21 57240995 VUZRERLUQXZMAC-UHFFFAOYSA-N 335.367 1.418 0 40 EDAB CO[C@]1(C)C[C@H](NC(=O)NC[C@@H](c2cnn(C)c2)N(C)C)C1(C)C 74313028 FXKLNRAUORHXIS-GRDNDAEWSA-N 337.468 1.526 0 40 EDAB O=C(CCc1cscn1)N1CCN(C[C@H](O)c2ccccc2)CC1 75129247 XGDVWGRCVRRUGH-KRWDZBQOSA-N 345.468 1.954 0 40 EDAB CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(Cc2noc(C3CC3)n2)C1 84259263 NGOHWBQTYQDFHR-AWEZNQCLSA-N 345.403 1.866 0 40 EDAB CCOC(=O)[C@H]1CNC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2 1535646134 YJNUCKAYYCEEQC-GFCCVEGCSA-N 340.420 1.703 0 40 EDAB Cc1nnc(CN(C)[C@H]2CCN(Cc3nnc(C4CC4)o3)C2)n1C 89736067 YRNOILZJFWDFRJ-ZDUSSCGKSA-N 331.424 1.090 0 40 EDAB CC(=O)N1CCC(C(=O)NC2CCN(c3nccs3)CC2)CC1 96099820 DFHANQUMABJUMO-UHFFFAOYSA-N 336.461 1.487 0 40 EDAB Cc1nsc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 301371701 PTQBEPUFVVMJRD-UHFFFAOYSA-N 349.441 1.118 0 40 EDAB O[C@@H](COCc1ccco1)Cn1cc(I)cn1 95438740 VCNMPCHMKSEANU-SNVBAGLBSA-N 348.140 1.658 0 40 EDAB CN(C)Cc1cc(CN2CCCC[C@H]2C(=O)NCC(F)F)no1 1615052011 LDQPGKGFAIMFMT-ZDUSSCGKSA-N 330.379 1.472 0 40 EDAB CC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1 16610248 JRKVLVVMOGSANG-GFCCVEGCSA-N 328.434 1.621 0 40 EDAB CC(=O)Nc1ccc(CC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 152451772 NBWOILJWEHTRAD-QGZVFWFLSA-N 338.411 1.978 0 40 EDAB Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 5252802 AGQSLEYATBYMGK-UHFFFAOYSA-N 346.364 1.989 0 40 EDAB Cc1ccc(SCCNC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 5313069 OEBZIAYKKVRUMD-UHFFFAOYSA-N 335.429 1.534 0 40 EDAB CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 5878674 AMOBNOVMAGLECB-UHFFFAOYSA-N 343.261 1.455 0 40 EDAB COCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 5852218 TVKCXLTVJQCBTQ-UHFFFAOYSA-N 342.417 1.455 0 40 EDAB Cc1cnc(N(C)[C@H]2CCCN(Cc3ccn(C)c(=O)c3)C2)nc1 1888854122 WZWUYZMCDRJUNZ-INIZCTEOSA-N 327.432 1.585 0 40 EDAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1=NN(C)C(=O)CC1 21934515 VTNZQEQEDQQGDS-UHFFFAOYSA-N 333.388 1.661 0 40 EDAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CC[C@@H](c2ncon2)C1 238968284 ZEAAPVLSFSNBPH-GFCCVEGCSA-N 345.384 1.434 0 40 EDAB O=C1CO[C@]2(CCCN(Cc3cnc[nH]3)C2)CN1c1cccc(F)c1 2037840820 SFWIVEIMHVZJFD-SFHVURJKSA-N 344.390 1.947 0 40 EDAB CCCN(C(=O)c1cc2c(OC)cccc2[nH]1)[C@@H]1COC[C@@H](O)[C@H]1O 2037961649 XRUWYLMKXVIACH-INMHGKMJSA-N 348.399 1.149 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3C[C@]32C(=O)N2CCC(C)CC2)n(C)n1 2056225365 OOKCBBAHGUAWNN-KBXCAEBGSA-N 330.432 1.592 0 40 EDAB C[C@H]1CN(c2nc3nonc3nc2N2C[C@@H](C)O[C@H](C)C2)C[C@@H](C)O1 15081638 XCBQQPPTFMOTFV-KKOKHZNYSA-N 348.407 1.240 0 40 EDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccccn2)CC1 2055704332 MUKMYXAQFIHXPB-UHFFFAOYSA-N 343.431 1.032 0 40 EDAB CCc1ccc(C(=O)N2CC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)cn1 2055839525 CVFFNZNFPDHBDS-NVXWUHKLSA-N 327.388 1.482 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1cn(C)cn1)c1cc2ccccc2o1 575621774 UEMXBQQATRSNAB-ZDUSSCGKSA-N 348.428 1.748 0 40 EDAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)NC1CCCC1 4306525 XCQARXCEEDKZPL-UHFFFAOYSA-N 339.442 1.949 0 40 EDAB O=C(C[C@@H](C(=O)O)N1CCNCC1)Nc1cccc(Cl)c1Cl 22592753 DRVDVDXAMZMABL-NSHDSACASA-N 346.214 1.680 0 40 EDAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCn1cccn1 30170265 CQNZZSOGLYTNPU-INIZCTEOSA-N 346.406 1.983 0 40 EDAB CCCCn1nc(C)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1Cl 40467958 HKSOWXCEFHEZLF-SNVBAGLBSA-N 333.841 1.562 0 40 EDAB NC(=O)Cc1csc(NC(=O)Cc2cnn(-c3ccccc3)c2)n1 40488608 UNWXBABEAWJPCB-UHFFFAOYSA-N 341.396 1.538 0 40 EDAB CCC[C@H](C)NC(=O)[C@H]1CCCN([C@@H](C)C(=O)NC(=O)NCC)C1 51055539 DDXYWUPKTKWCET-IHRRRGAJSA-N 340.468 1.237 0 40 EDAB O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(=O)N(CC(F)(F)F)C1 40508561 GUCDQARBJAZILR-ZETCQYMHSA-N 333.335 1.981 0 40 EDAB CC(C)CNC(=O)c1nc(COc2ccc(CC(N)=O)cc2)no1 20731965 ARDIGYNYNKNKEL-UHFFFAOYSA-N 332.360 1.062 0 40 EDAB CN1C[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)CC1=O 32277181 ZRTJWAIRYAYCAN-DOMZBBRYSA-N 346.818 1.757 0 40 EDAB C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC(N2CCNC2=O)CC1 52216800 ZBQKBJJBZTXDEO-CYBMUJFWSA-N 348.422 1.320 0 40 EDAB CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1sccc1C(N)=O 102207054 CCMMBZLASLVBPP-ZETCQYMHSA-N 339.446 1.886 0 40 EDAB C[C@H](CNC(=O)Nc1cccc(Cn2cncn2)c1)Cn1cccn1 52463824 IYYZPDMDNVBJGF-CQSZACIVSA-N 339.403 1.981 0 40 EDAB CCCC[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O 12419617 LEGAMEPROJNAFQ-ZDUSSCGKSA-N 340.401 1.493 0 40 EDAB COC1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)CC1 53886379 UEADVZYCUBURBK-UHFFFAOYSA-N 332.400 1.830 0 40 EDAB CCOc1cc(/C=C/C(=O)NS(C)(=O)=O)cc(Cl)c1OC 42280349 BQLGLBSKJYWQNF-AATRIKPKSA-N 333.793 1.836 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N3CCCC[C@H]3C)nc2n1 3542245 ZULOBGFJFRFKDC-LLVKDONJSA-N 331.376 1.299 0 40 EDAB COc1ccccc1CNC(=O)COc1cccc(-n2cnnn2)c1 3606425 FMRXEIMVYHBGRJ-UHFFFAOYSA-N 339.355 1.366 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCNC[C@@H]2C)c(Br)c1 54371253 NKSZGSNVOUOJCI-JTQLQIEISA-N 333.251 1.740 0 40 EDAB Cc1cc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)ccc1C(N)=O 105345098 LRXCJEHRIGXERI-JKSUJKDBSA-N 325.368 1.874 0 40 EDAB C[C@@H](C(=O)NC[C@H]1CCCO1)n1nnc(-c2ccc(Cl)cc2)n1 23939038 OHWBHUCMUMCAQE-GXFFZTMASA-N 335.795 1.850 0 40 EDAB CCc1ccc(CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 9232616 NVZOTECTHPQDJI-UHFFFAOYSA-N 340.379 1.910 0 40 EDAB CNC(=O)NC(=O)CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 44071984 DGBCOASMSILMCR-CYBMUJFWSA-N 333.388 1.440 0 40 EDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)N1Cc2ccccc2C1 71879683 JEWFKBXTUCUJKW-ZWKOTPCHSA-N 345.443 1.449 0 40 EDAB CC(=O)c1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1 12617475 POTFERMCHUSERX-UHFFFAOYSA-N 339.355 1.361 0 40 EDAB CN1CCN(C(=O)[C@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 100124272 OGUYOGIGFGLAEX-QBMUGXQSSA-N 340.423 1.821 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@@H](C)N1 109067217 PHJWPTOLAIMIGV-NXEZZACHSA-N 333.251 1.820 0 40 EDAB Cc1ccccc1CN1CCN(Cc2nc(N)nc(N(C)C)n2)CC1 27358927 YSJXWGSKBGWDLC-UHFFFAOYSA-N 341.463 1.146 0 40 EDAB CC(=O)N1CCN(C(=O)CCCc2nc(-c3ccccc3)no2)CC1 27476882 IPQXGQVDYYKETD-UHFFFAOYSA-N 342.399 1.750 0 40 EDAB CC(C)n1nccc1NC(=O)CN1CCN(c2cnccn2)CC1 44906733 PBYGDUWEIAQKRK-UHFFFAOYSA-N 329.408 1.015 0 40 EDAB C[C@@H](CNC(=O)NCc1cccc(Cn2cncn2)c1)N(C)C1CC1 84638402 XACARRLBMPDSRR-AWEZNQCLSA-N 342.447 1.608 0 40 EDAB CCCO[C@H]1CCCN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)C1 71836808 LCCWHGDHDMAREH-JEJOPICUSA-N 346.427 1.982 0 40 EDAB C[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)O 2118150 GXJVMJBXZYQVCI-VHSXEESVSA-N 345.351 1.638 0 40 EDAB biogenic O[C@H]1C[C@](CNCc2ccc(F)cc2)(COc2cnccn2)C[C@H]1O 107430539 AFEZURBOQYGOKQ-ALXJQNPVSA-N 347.390 1.286 0 40 EDAB biogenic,in-vitro NC(=O)NC(=O)CNc1cc(Cl)ccc1OC[C@H]1CCCO1 58441750 LLMCWCPTMYAXON-SNVBAGLBSA-N 327.768 1.505 0 40 EDAB O=C(c1ccc2c(c1)CCO2)N1CCC[C@@H](C(=O)N2CCOCC2)C1 45236181 KISCFNMFWKETED-MRXNPFEDSA-N 344.411 1.333 0 40 EDAB NC(=O)CN1CCC(NC(=O)N2CCC[C@H]2c2ccsc2)CC1 45401918 SCFJLEGCTUEKBH-AWEZNQCLSA-N 336.461 1.544 0 40 EDAB O=C(/C=C/c1cccc2cccnc12)OCCN1C(=O)CNC1=O 45990519 TXBBXXCYLRAATD-VOTSOKGWSA-N 325.324 1.343 0 40 EDAB Cc1nc(CN2CCN(C(=O)N[C@H](C)Cn3ccnc3)CC2)cs1 48343967 WEUADWCCTVANGU-CYBMUJFWSA-N 348.476 1.564 0 40 EDAB NC(=O)C1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)CC1 29632299 DMPOXASXFWSMIY-VOTSOKGWSA-N 339.399 1.064 0 40 EDAB CCOC(=O)C1=C(COC(=O)CCc2ccccc2)NC(=O)NC1 12980477 CAOPZRSERQFBEH-UHFFFAOYSA-N 332.356 1.292 0 40 EDAB CCCNC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 12978467 QWPKZMMZLDYFGY-HNNXBMFYSA-N 343.427 1.171 0 40 EDAB O=C(CNC(=O)c1ccc(F)cc1)NCc1ccc2c(c1)OCCO2 12995645 SHSAHJIBNPAULN-UHFFFAOYSA-N 344.342 1.643 0 40 EDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CCCCC1 8723824 QXGVROXPTHLYEX-GFCCVEGCSA-N 337.445 1.098 0 40 EDAB O=C(NCCNC(=O)c1ccc(Br)cc1)NCC1CC1 48687060 MXAUPJNPTFGKFD-UHFFFAOYSA-N 340.221 1.888 0 40 EDAB COc1cc(CC(=O)N(CC(=O)O)CC2CC2)cc(OC)c1OC 95424476 JWQGYMIGJZTNNB-UHFFFAOYSA-N 337.372 1.578 0 40 EDAB COc1cccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)c1 6182435 HBHAWBWYHUYXAJ-UHFFFAOYSA-N 340.445 1.910 0 40 EDAB CC(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(-n2cnnn2)cc1 96454483 KMPGMUUJICGCDL-YOEHRIQHSA-N 329.404 1.382 0 40 EDAB COCCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H](C)c1ccccc1 65427527 HZNZGOPFHYECOI-ZDUSSCGKSA-N 341.415 1.866 0 40 EDAB COC(=O)c1nn(CN(C)Cc2ccccc2)c(=O)c2noc(C)c12 65553316 FORLWDSZHJIXSX-UHFFFAOYSA-N 342.355 1.569 0 40 EDAB COC(=O)CNC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 14160455 FZZIQKKMKLPLHK-SNAWJCMRSA-N 338.414 1.418 0 40 EDAB CN(C)CCN(CCN(C)C)S(=O)(=O)c1c(F)cccc1F 65621645 IISKRBFZYOKNSJ-UHFFFAOYSA-N 335.420 1.079 0 40 EDAB CCOP(=O)(OCC)[C@@]1(O)C(=O)N(C(C)=O)c2ccccc21 9142779 MLYQIJBIHBBVPE-CQSZACIVSA-N 327.273 1.991 0 40 EDAB CN1C(=O)N(C)C(=O)C2(Cc3cccc(F)c3N3CCC[C@@H]32)C1=O 5424304 UQZGVYBEBWIJLJ-GFCCVEGCSA-N 331.347 1.387 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3CCc4ccccc43)CCO2)n1 83829813 MRXBQABLAQNFQN-GJZGRUSLSA-N 326.400 1.997 0 40 EDAB C[C@@H]1CN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C[C@@H](C)O1 14914267 SYJBGNDNOPSLRF-GHMZBOCLSA-N 332.383 1.946 0 40 EDAB Cc1nn2cccnc2c1C(=O)NC[C@]1(O)CCCc2ccccc21 66929924 ZREHJGORNBTCFD-LJQANCHMSA-N 336.395 1.992 0 40 EDAB CN(CCc1ccccn1)C(=O)CNC(=O)NCc1ccsc1 67059900 BFFSZMUJDXMZPO-UHFFFAOYSA-N 332.429 1.643 0 40 EDAB CCOC(=O)c1c(C)oc2nc(CSc3nncn3C)nc(N)c12 6984739 DONZZBBKEWBBCG-UHFFFAOYSA-N 348.388 1.711 0 40 EDAB CC[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1nc2ccccc2[nH]1 67358954 HUJYCDCRQXDWFM-WDEREUQCSA-N 336.417 1.500 0 40 EDAB O=C(CCc1ccncc1)N1CC(S(=O)(=O)NC2CCCC2)C1 96005452 UVLMCYUDBODGBP-UHFFFAOYSA-N 337.445 1.087 0 40 EDAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2F)c2ccccc2O1 7307240 GASBHGVFBHUWMJ-ZDUSSCGKSA-N 336.344 1.267 0 40 EDAB Cc1nc2sc(C(=O)OCC(=O)N[C@H](C)C3CC3)c(C)c2c(=O)[nH]1 9535878 RFOYLYYOSUOMBK-MRVPVSSYSA-N 349.412 1.673 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 16021931 SYGXLYNHYVYFFQ-IGPXVZFTSA-N 341.411 1.535 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@@H](NS(C)(=O)=O)C1 93530976 SAABZUNAXNZTTG-OAHLLOKOSA-N 348.472 1.613 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)COc2ccc(C)cc2OC)CC1 70008695 UATKDVHPERZUCU-OAHLLOKOSA-N 336.432 1.298 0 40 EDAB CCN(CC)CCC[C@H](C)NC(=O)c1ccccc1-n1cnnn1 69323460 KRIKXRMRKBIBNO-AWEZNQCLSA-N 330.436 1.903 0 40 EDAB COc1ccc(Cl)cc1NCC(=O)N1CCCN(C(C)=O)CC1 69381799 VBWZKXSUJXUOKL-UHFFFAOYSA-N 339.823 1.841 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2cccn2C)NC(=O)N[C@H]1CC 8323989 IHCCRITXHFGJLJ-JTQLQIEISA-N 335.360 1.091 0 40 EDAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccccn3)C2=O)C1 69570075 OVHDHJLBDOLUIK-SJKOYZFVSA-N 330.388 1.107 0 40 EDAB Cn1ccnc1CN1CCN(Cc2ccn(-c3ccccc3)n2)CC1 69599020 CZAAZTVOJWHGHU-UHFFFAOYSA-N 336.443 1.924 0 40 EDAB CC[C@@](C)(NC(=O)c1ccc(N2CCOCC2)c(F)c1)C(=O)OC 69571262 JHGAODIHSJXKDO-QGZVFWFLSA-N 338.379 1.734 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(CC(C)(C)O)CC2)cc1 69661796 ABQBHZBGZIZCOV-CQSZACIVSA-N 347.459 1.605 0 40 EDAB O=C(NC[C@@H]1CCOC1)NC1CCN(CCc2ccncc2)CC1 69657522 PSXFAYRZVGXRPB-INIZCTEOSA-N 332.448 1.424 0 40 EDAB Cc1nnc(NC(=O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)s1 69845732 ZYBHWLHWALGKJT-GFCCVEGCSA-N 347.448 1.176 0 40 EDAB Cc1csc2nc(CN3CCn4c(nnc4C(C)C)C3)cc(=O)n12 69820201 DNQFJPHIDLRWHL-UHFFFAOYSA-N 344.444 1.795 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2CCCS(=O)(=O)N(C)C)n1 69901031 SLLPRSBUVXHKKB-MRXNPFEDSA-N 342.509 1.636 0 40 EDAB COc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1-n1nnnc1C 69951463 YMDPNMMUKNRZLW-QWRGUYRKSA-N 346.391 1.620 0 40 EDAB Cc1cc(C(=O)NC2CCN(c3ncnc4[nH]cnc34)CC2)c(C)o1 71793549 MLULGOMQADAUEH-UHFFFAOYSA-N 340.387 1.962 0 40 EDAB COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)CCN1CCCC1=O 95414047 GDYUIJNCZIKJOU-OAHLLOKOSA-N 344.333 1.872 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CO 97086303 LIQOFSUUPLIONE-WFASDCNBSA-N 343.493 1.937 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)NC1(C(=O)N2CC(O)C2)CCCC1 97016843 MEYWNVWYIZYFRP-UHFFFAOYSA-N 341.411 1.343 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H]1CCc3nccn3C1)C2 72278748 MUANPHFRUGRCDM-UONOGXRCSA-N 327.384 1.574 0 40 EDAB CNC(=O)NC(=O)CCN(CCN1CCCC1)Cc1ccccc1 72275082 VBVROPUNNIDWOK-UHFFFAOYSA-N 332.448 1.430 0 40 EDAB O=C1OC(c2ccccc2)=N/C1=C/c1cnc(N2CCOCC2)nc1 72280605 XEKIHZRERBFHKG-XNTDXEJSSA-N 336.351 1.658 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1ccc(N3CCCC3=O)cc1)CC2 97198312 RTLMFYVEPAFYEL-AWEZNQCLSA-N 339.399 1.458 0 40 EDAB CC[C@H](C(=O)N1CCC(CS(N)(=O)=O)CC1)c1ccc(F)cc1 97141888 JUWVRGWCLVAMEJ-HNNXBMFYSA-N 342.436 1.846 0 40 EDAB NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3c(c2)CCO3)c1 95458460 QHKHBZVDLBZNRY-UHFFFAOYSA-N 334.353 1.227 0 40 EDAB COCc1nn(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c(=O)o1 97370403 BFAGCGZKVQFOIK-UHFFFAOYSA-N 339.714 1.404 0 40 EDAB CN1CCN(c2ccc(F)cc2NC(=O)NCc2ccon2)CC1 95406287 WZQXOHGNQGMRDM-UHFFFAOYSA-N 333.367 1.887 0 40 EDAB CCCn1nc(C)c(CN2CCC[C@H](NS(C)(=O)=O)C2)c1C 95982592 JHVKGSYXHJBRHS-AWEZNQCLSA-N 328.482 1.424 0 40 EDAB CCN1CCCC[C@H]1C(=O)OC[C@@H]1CNC(c2ccccc2)=NO1 95943924 LNSGOQSLZFVUEG-HOTGVXAUSA-N 331.416 1.754 0 40 EDAB O=S1(=O)CCN(C2CCN(c3ccnc(C4CC4)n3)CC2)CC1 95946033 BGWMCYUUDQRXEQ-UHFFFAOYSA-N 336.461 1.053 0 40 EDAB Cc1cc(C)c(CNC(=O)Cn2ccc(=O)c3ccccc32)c(=O)[nH]1 75124601 FCAIWBRKBYOQDE-UHFFFAOYSA-N 337.379 1.623 0 40 EDAB COc1ccc(C)cc1[C@H](C)NC(=O)CNC(=O)c1ncccc1O 89612013 DDCRAEYEUUAUAR-LBPRGKRZSA-N 343.383 1.711 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cn1 89652207 AHGWGOMLIXJIDQ-WBVHZDCISA-N 327.428 1.934 0 40 EDAB COc1ccc(CCNC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 25527615 JFUFBAAMDOVIFM-OAHLLOKOSA-N 340.445 1.168 0 40 EDAB Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)CC1(O)CCCC1 548349580 CTVYHGIZXGFWDZ-KBPBESRZSA-N 338.427 1.144 0 40 EDAB CCn1nncc1CNC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1 528019745 WOOAATFFUZEKRO-CYBMUJFWSA-N 332.383 1.515 0 40 EDAB CN1CC[C@@H](N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)C1=O 75915590 XFWMGLBIGWWHLF-OAHLLOKOSA-N 335.835 1.257 0 40 EDAB COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(Br)cc1C 185547267 YUKBPMMQDCCIAI-CHWSQXEVSA-N 328.206 1.866 0 40 EDAB O=C(O)c1cn([C@@H]2CCN(c3nc(C(F)(F)F)cs3)C2)nn1 565769533 LKZASUKHFWMSOH-ZCFIWIBFSA-N 333.295 1.903 0 40 EDAB NCC(=O)N(C[C@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 79392983 IKPIEFGATXSBOC-MRXNPFEDSA-N 331.416 1.737 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN(C)[C@H](C)c2nnc(C)o2)cc1 72828905 JAJCASHQOOWVOF-GFCCVEGCSA-N 338.433 1.658 0 40 EDAB CSCC[C@H](CO)NS(=O)(=O)c1c(F)c(F)cc(F)c1F 225752919 FETMGFIVYNEHPP-ZCFIWIBFSA-N 347.355 1.635 0 40 EDAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)Nc1ccon1 193734009 YLDAPHYIFXLPQF-OAHLLOKOSA-N 330.388 1.953 0 40 EDAB Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CCS(=O)(=O)C2 41070329 KTXWZIURZJPAOZ-UHFFFAOYSA-N 345.424 1.090 0 40 EDAB O=C(O)[C@H](NS(=O)(=O)c1cnc2ccsc2c1)[C@H]1CCOC1 572908586 HLFNHGSSCXTXDO-QPUJVOFHSA-N 342.398 1.064 0 40 EDAB CC(C)CN1CC2(CN(CCc3ccccc3)C[C@H]3C[C@@H](O)CN32)C1 514290245 VLZIZAQGPMKOEA-WOJBJXKFSA-N 343.515 1.690 0 40 EDAB biogenic,in-vitro COc1cncc(O[C@@H]2CCN(C(=O)Cc3ccc(F)cc3F)C2)n1 225395351 IANXYKJWLAZHAX-CYBMUJFWSA-N 349.337 1.986 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)Nc1cnc(N2CCN(C)CC2)nc1 224254169 GUBRUZFFAYZBAE-AWEZNQCLSA-N 341.415 1.634 0 40 EDAB Cc1ccc(CN2CCC3(CC2)COCCN3S(C)(=O)=O)o1 96048924 RDUSSRIQPUUASH-UHFFFAOYSA-N 328.434 1.214 0 40 EDAB CC(C)(C)c1noc(C[S@](=O)CC(=O)NCc2ccco2)n1 96404348 QKOKCVWPPROECL-QFIPXVFZSA-N 325.390 1.525 0 40 EDAB O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1 96043209 XKKLHTMOVYISOH-KSZLIROESA-N 348.443 1.802 0 40 EDAB O=C(O)[C@H]1CN(C[C@@H]2CCOC2)Cc2ncn(CC3CCOCC3)c21 96067862 ALBSNBSVPSHJGP-GJZGRUSLSA-N 349.431 1.330 0 40 EDAB CCn1cc2c(n1)[C@@H](COC)CN(S(=O)(=O)c1ccccc1)C2 96198058 AZMQSQBJCLVYLE-CQSZACIVSA-N 335.429 1.838 0 40 EDAB Cc1ccc(N2CC[C@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)nn1 96039784 PBTORDMCDVDKKN-CRAIPNDOSA-N 348.447 1.265 0 40 EDAB COCCN1CC2(CCN(C(=O)N3CCCC3)CC2)C[C@@H]1COC 96208647 PNFISYCSSXKOJV-MRXNPFEDSA-N 339.480 1.652 0 40 EDAB CN1C(=O)C[C@@H](NCc2ccc3c(c2)OCCO3)[C@@H]1c1cccnc1 583616512 FHDKOSRDTCMLTO-BEFAXECRSA-N 339.395 1.914 0 40 EDAB Cc1cccc2c1OC[C@H](NC(=O)N1CCOCC(F)(F)C1)C2 581045676 IJQKABIBMHYDDZ-CYBMUJFWSA-N 326.343 1.976 0 40 EDAB COc1ccccc1N1CC[C@H](NC(=O)NCc2nccn2C)C1 96461973 VBEYGTRNHXYFTH-ZDUSSCGKSA-N 329.404 1.507 0 40 EDAB CCCS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(C)cc(F)c2)C1 96430859 GWIAVEIDFDEUFP-AWEZNQCLSA-N 328.409 1.678 0 40 EDAB CO[C@@](C)(C(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1)c1ccccc1F 585085896 OSUVBURSSKTXSB-QWQRMKEZSA-N 334.391 1.624 0 40 EDAB COCCOc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)ccn1 244914819 BFJBTEKLWXOGFF-CQSZACIVSA-N 344.367 1.677 0 40 EDAB CN(C)Cc1cnn(-c2ccccc2C(=O)N[C@H]2CCCN(C)C2)c1 257240576 HUEBSTFOWXQYFJ-INIZCTEOSA-N 341.459 1.758 0 40 EDAB O=C(N[C@H]1CCCNC1=O)c1cncc(Cc2ccccc2F)c1 257227325 FOTSKLNHPKYRRZ-INIZCTEOSA-N 327.359 1.820 0 40 EDAB CN(C)C(=O)CN1CCC[C@H](c2cnc(Nc3cnccn3)cn2)C1 257301076 RWWYRMIRATYECA-ZDUSSCGKSA-N 341.419 1.278 0 40 EDAB Cc1nc2ccccn2c1CC(=O)N1CCO[C@H](c2cnccn2)C1 257294857 QWAHGMVBFCRWCZ-INIZCTEOSA-N 337.383 1.575 0 40 EDAB CCC(=O)c1ccc(N2CCC[C@H]2C[C@@H](C)O)c(S(N)(=O)=O)c1 252497950 QRVGDUGURDSQLO-YPMHNXCESA-N 340.445 1.666 0 40 EDAB Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN2Cc2cncn2C)n1 257207690 BITYPSHFDKICTP-SFHVURJKSA-N 342.447 1.732 0 40 EDAB Cc1ocnc1C(=O)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 257326776 WYNVLJJURKUQSM-CYBMUJFWSA-N 341.371 1.357 0 40 EDAB CN(C)c1nccc(N2CCN(C(=O)c3cc[nH]c3C3CC3)CC2)n1 252478523 AOWGEWBPFPAQPV-UHFFFAOYSA-N 340.431 1.711 0 40 EDAB CC(=O)N1CCN(C(=O)Cn2cc(C)cn2)[C@@H](c2ccccc2)C1 257287985 PSHFLPZRLQMRAC-QGZVFWFLSA-N 326.400 1.624 0 40 EDAB CC(C)Cn1cnc(S(=O)(=O)Nc2cccc(CC(=O)O)c2)c1 267457264 NCRHPGJAMVXFAD-UHFFFAOYSA-N 337.401 1.967 0 40 EDAB CC[C@@H](Cc1ccc(NS(=O)(=O)c2ccnn2C)cc1)C(=O)O 361777627 WJZSKZQVVBJUIG-LBPRGKRZSA-N 337.401 1.874 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 592756665 ACLJBTIOMHMPDW-CQSZACIVSA-N 346.456 1.784 0 40 EDAB Cn1cncc1CC(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@H]21 606445679 COKBURAHUJFWGK-HZPDHXFCSA-N 332.448 1.650 0 40 EDAB O=C(CSc1ccncc1)N1CC[C@H](Oc2ncc(F)cn2)C1 390828796 ULTZQBHPFUXTDW-LBPRGKRZSA-N 334.376 1.783 0 40 EDAB CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 575421145 GSTIWFQYCLHHOY-WCQYABFASA-N 349.449 1.802 0 40 EDAB Cc1nn(CCNC(=O)c2ccc(=O)n(C)n2)c(C)c1-c1ccco1 575606115 BHWHHZRHUXEHBW-UHFFFAOYSA-N 341.371 1.284 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN1CCC[C@H](N2CCCCCC2)C1 69627246 UNTHOKBEGOCTJE-HNNXBMFYSA-N 338.496 1.951 0 40 EDAB O=C1CCCN1CCC(=O)N1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 585277960 YITXWORSSNCKPL-WBVHZDCISA-N 348.418 1.590 0 40 EDAB CCOc1ccc(-c2noc(CCC(=O)NC(C)(C)C(N)=O)n2)cc1 57256199 VEMRBXSEHJLRIU-UHFFFAOYSA-N 346.387 1.448 0 40 EDAB C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc2c(c1)N(C)CCC2 75109926 NQUFVRJCPDGEGL-LBPRGKRZSA-N 335.433 1.028 0 40 EDAB CC(C)Oc1ccc(CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cn1 89890857 LTFUKUIQPAWVDW-ZDUSSCGKSA-N 341.433 1.197 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)Cc2csc(-c3nc[nH]n3)n2)C12CCC2 89985705 RGSBESILMMGRNA-NEPJUHHUSA-N 347.444 1.935 0 40 EDAB COc1cc([C@H](C)NC(=O)[C@@H]2CNC(=O)N2)ccc1OC1CCCC1 89904734 ZGBUPMIAYQZSMZ-FZMZJTMJSA-N 347.415 1.875 0 40 EDAB O=S(=O)(CCN1CCn2c(nnc2C2CC2)C1)c1ccccc1 78787891 VQSVVTWEXSAGJG-UHFFFAOYSA-N 332.429 1.445 0 40 EDAB COC(=O)c1nc(I)c2cccnc2c1O 143655294 MCXNAYNARJUQOC-UHFFFAOYSA-N 330.081 1.727 0 40 EDAB Cc1cc2oc(C(=O)NC[C@H](C)n3cncn3)cc(=O)c2cc1C 12201566 YZEQBRBXVJYULU-LBPRGKRZSA-N 326.356 1.992 0 40 EDAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 12811332 DUDKPPYONTUYJG-ZDUSSCGKSA-N 325.430 1.801 0 40 EDAB Cn1cc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)c(=O)n(C)c1=O 12924280 ILACIUDFGNFHSI-GQCTYLIASA-N 348.786 1.467 0 40 EDAB C[C@@H]1Oc2ccc(S(=O)(=O)N[C@H](C)c3ccncc3)cc2NC1=O 19462246 OFUZMSPHWLQYJZ-MNOVXSKESA-N 347.396 1.841 0 40 EDAB CCC(=O)NCc1ccc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1 19499303 BQCPGMXOPZLKOI-UHFFFAOYSA-N 342.399 1.575 0 40 EDAB COCC(=O)N1C[C@@H](c2cccc(OC)c2)[C@@]2(CCCCC(=O)N2)C1 19592970 HGNZIGOSUWGFQZ-QFBILLFUSA-N 346.427 1.696 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)C(F)(F)F)C2=O)c(C)c1 158337202 QZMJKFJQYWWPSL-RISCZKNCSA-N 330.306 1.994 0 40 EDAB CN(C)c1cnc(C(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)cn1 515164722 ZFAQRDVLKNCDNS-OAHLLOKOSA-N 345.447 1.454 0 40 EDAB Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C(N)=O)C3)C2=O)cc1Cl 36020567 WMEPKENNTIYXQN-SMDDNHRTSA-N 349.818 1.478 0 40 EDAB CS(=O)(=O)N1CCC(NCc2ccc(Br)cc2)CC1 30656184 FFGLQZWVIDSYAN-UHFFFAOYSA-N 347.278 1.963 0 40 EDAB Cc1cnc(C)c(OC2CCN(c3ccc4nnc(C)n4n3)CC2)n1 2087141197 LGKINNVYHALUPI-UHFFFAOYSA-N 339.403 1.887 0 40 EDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)C3CC(F)(F)C3)CC[C@@H]21 1565548186 ZBJGWNOGBVZGSS-LSDHHAIUSA-N 345.434 1.285 0 40 EDAB NC(=O)Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O 22767941 TYSQSCMRADMKLK-UHFFFAOYSA-N 343.774 1.598 0 40 EDAB Cc1ncn(CC(=O)N2CC(n3cnc4ccccc43)C2)c(=O)c1C 1775974935 XTRIPOOIZVONLU-UHFFFAOYSA-N 337.383 1.293 0 40 EDAB Cc1cc(N2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)n2ncnc2n1 2086865395 TXRUULGRWFHLOA-STQMWFEESA-N 339.378 1.539 0 40 EDAB Cn1cc(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)nn1 206842608 WYYGAXKJNYIJDC-LBPRGKRZSA-N 340.343 1.104 0 40 EDAB COc1ccccc1OCC(=O)N1CC[C@H](Oc2cccnn2)C1 225411008 YNJIAENTWMWWSV-ZDUSSCGKSA-N 329.356 1.544 0 40 EDAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1CCOCC1 20023925 OZXJRYIPSBLOOT-LLVKDONJSA-N 331.372 1.614 0 40 EDAB CCn1c(N)c(C(=O)CN2CCc3sccc3[C@@H]2C)c(=O)[nH]c1=O 40466353 NOHZSLIQCBSXEX-VIFPVBQESA-N 348.428 1.002 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc2c(c1)OCC(=O)N2 31593623 WRHFPBHWDVCJGR-LBPRGKRZSA-N 326.356 1.558 0 40 EDAB CN(C)C(=O)CS(=O)(=O)Cc1coc(-c2ccc(Cl)cc2)n1 40528662 YBAXEILNMUNSHW-UHFFFAOYSA-N 342.804 1.998 0 40 EDAB C[C@H](C(=O)NCc1ccc(OC[C@@H]2CCCO2)cc1)S(C)(=O)=O 40540963 YQICLBSQMPFHOM-DOMZBBRYSA-N 341.429 1.294 0 40 EDAB CN(Cc1ccncc1)C(=O)c1cccc(N2CCCS2(=O)=O)c1 40511976 UZONZJORWLMERN-UHFFFAOYSA-N 345.424 1.894 0 40 EDAB Cc1nc2c(cc1C(=O)NCCN1CCCCCC1=O)c(C)nn2C 32310129 OUMRMFMCPFEUAE-UHFFFAOYSA-N 343.431 1.718 0 40 EDAB O=C(NCCCN1CCN(c2ncccn2)CC1)c1cccs1 32333125 FZIMQLQZRYCYGB-UHFFFAOYSA-N 331.445 1.480 0 40 EDAB O=C(Cn1cccnc1=O)NCc1cc(Cl)c2c(c1)OCCCO2 32714809 ARXLIQQMYDQLTP-UHFFFAOYSA-N 349.774 1.374 0 40 EDAB Cc1noc(COC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1 32895101 WFMBPKBEQGDQRE-UHFFFAOYSA-N 328.321 1.424 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2ccccc2OC)NC(=O)N[C@@H]1C 32942921 MSFTZZNSBSQDAK-SNVBAGLBSA-N 348.355 1.371 0 40 EDAB COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CCO1 103106491 OGHAFPHMFPTEMW-HZPDHXFCSA-N 332.400 1.051 0 40 EDAB C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)c1nncn1C 46964638 OHCAVERWISEWAL-CQSZACIVSA-N 328.420 1.404 0 40 EDAB Cc1csc(N2CCN(C[C@H](O)COCc3ccco3)CC2)n1 61159681 WZDNCIWIENUFEK-AWEZNQCLSA-N 337.445 1.744 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2C(N)=O)cc1 8937724 OECZFQZJOHDXFV-UHFFFAOYSA-N 332.381 1.813 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 47009882 XXRCIEFWDNJZME-RBSFLKMASA-N 346.493 1.370 0 40 EDAB C[C@]1(NC(=O)CNc2cccc3c2CCCC3)CCS(=O)(=O)C1 22893906 DNTYLIOWEOZIHQ-KRWDZBQOSA-N 336.457 1.671 0 40 EDAB COc1cc(C(=O)N2CCN(CCO)CC2)ccc1OC1CCCC1 78535096 WSUNZIKWXOBXDJ-UHFFFAOYSA-N 348.443 1.767 0 40 EDAB Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N1CCNC(=O)[C@H]1C 78789824 SRHOHDULEMEWGH-GFCCVEGCSA-N 345.378 1.350 0 40 EDAB COc1ccc(OC)c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 4148342 UHDOARISMFBJMP-UHFFFAOYSA-N 349.368 1.674 0 40 EDAB O=C(N[C@H]1CCCOc2ccc(F)cc21)N[C@@H]1CCS(=O)(=O)C1 54540285 DDYFZKUPEIYZSY-YPMHNXCESA-N 342.392 1.526 0 40 EDAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccc(=O)[nH]c1 75141814 RWQBYABRQDOFRP-GOSISDBHSA-N 341.411 1.375 0 40 EDAB CC(C)CCNC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 42904902 LJGALXUNQUKGOC-UHFFFAOYSA-N 331.424 1.241 0 40 EDAB CC(C)(C)OC(=O)N1CCN(Cn2ncc3ccccc3c2=O)CC1 24529087 AGYPMWMYMJHCBR-UHFFFAOYSA-N 344.415 1.907 0 40 EDAB CCc1nn2c(=O)cc(CSc3nnnn3C3CC3)nc2s1 8342679 VLKOUHHZSXGCAW-UHFFFAOYSA-N 335.418 1.327 0 40 EDAB Cn1c(=O)c(-c2ccno2)nn(-c2cccc(C(F)(F)F)c2)c1=O 1404751 BCPNABQNVDBWEZ-UHFFFAOYSA-N 338.245 1.605 0 40 EDAB Cc1c(C(=O)NCC2(C(N)=O)CCOCC2)oc2c(F)cccc12 47931046 WSRGCXBRSNRSIV-UHFFFAOYSA-N 334.347 1.892 0 40 EDAB C[C@@H](NC(=O)NCCCn1nc2n(c1=O)CCCC2)c1cccnc1 43785156 WHCGXFAEWGZSPI-CYBMUJFWSA-N 344.419 1.227 0 40 EDAB C[C@H](Cc1c(F)cccc1F)NC(=O)NCCN1CCOCC1 57449233 XAKSTYPXOONZDG-GFCCVEGCSA-N 327.375 1.527 0 40 EDAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4oc(C)cn43)n(C)c2=O)c1 9708612 ZNQUOCOVPDXFJA-UHFFFAOYSA-N 338.367 1.914 0 40 EDAB CS(=O)(=O)c1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(O)n1 57477990 ICUQAOSYNBDAIX-UHFFFAOYSA-N 348.789 1.072 0 40 EDAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)OC1CCCCC1 28240039 JLCBEWRGOPSJNW-UHFFFAOYSA-N 342.395 1.934 0 40 EDAB COc1cccc(C(=O)N2CCN([C@@H](C)c3nc(C)no3)CC2)c1 44589552 XJSKEEUEFFHKSJ-LBPRGKRZSA-N 330.388 1.906 0 40 EDAB COc1cc2nc(CN3CCN(C(C)C)CC3)[nH]c(=O)c2cc1OC 27420155 CVCOXLYJKAOZDH-UHFFFAOYSA-N 346.431 1.466 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)N(C3CC3)C1)CC2 44896268 QLIPRLHPOLRDHS-AWEZNQCLSA-N 344.411 1.599 0 40 EDAB CCOC(=O)c1s/c(=N/C(=O)c2cc(C)nn2CC)n(C)c1C 101342203 XKSUUXGDGOKRET-FOCLMDBBSA-N 336.417 1.838 0 40 EDAB CCN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc(C)c(C(N)=O)c1 58245116 MSURXRYGRSZEMJ-LBPRGKRZSA-N 326.418 1.141 0 40 EDAB CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C3CC3)CC2)cc1 58246086 NYKISIFLDFPZOR-UHFFFAOYSA-N 336.457 1.975 0 40 EDAB O=C(NCCCn1cccn1)[C@@H]1CCCN1C(=O)C1CCCCC1 44949763 LXUFUHBHBRVFHH-INIZCTEOSA-N 332.448 1.961 0 40 EDAB COc1cc(C(=O)N2CCOc3ccccc32)ccc1OCC(N)=O 44933761 SMHNMJHKQOMFOG-UHFFFAOYSA-N 342.351 1.599 0 40 EDAB CCOc1ncccc1CNC(=O)N1CCN(c2cnccn2)CC1 44910358 BXBWTNDDUGAPSF-UHFFFAOYSA-N 342.403 1.302 0 40 EDAB CNC(=O)c1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1 12770829 PUBWOEWISRFUCQ-UHFFFAOYSA-N 339.395 1.734 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc12 58341436 XJSLZUQEOHMLNT-UHFFFAOYSA-N 346.368 1.776 0 40 EDAB CCS(=O)(=O)c1ccc(N2CCC(NC(=O)COC)CC2)cc1 58357555 PZAIGLNGRBOTFT-UHFFFAOYSA-N 340.445 1.212 0 40 EDAB CCN(CC)CCOc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1 58411569 OUMZTDJWLWKNOK-GOSISDBHSA-N 349.475 1.468 0 40 EDAB CC[C@@H]1[C@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O 100069272 CJDRUOGAGYHKKD-HMHMFFPLSA-N 326.440 1.555 0 40 EDAB O=C1CN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CCN1 12736396 OUWZZZVVHYIWIO-UHFFFAOYSA-N 336.351 1.704 0 40 EDAB O=C(N[C@]1(C(F)(F)F)N=C2SCCN2C1=O)c1ccc(F)cc1 2261113 KJBSRXOFOHFKIJ-LBPRGKRZSA-N 347.293 1.759 0 40 EDAB CC[C@@](C)(CNC(=O)NCc1csc(C)n1)N1CCOCC1 45342741 BETBBTCGBFOAKW-HNNXBMFYSA-N 326.466 1.752 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cc(C)nc3onc(C)c23)CC1 29646383 QCLYKSIUSFCJLE-UHFFFAOYSA-N 332.360 1.754 0 40 EDAB COCCNC(=O)COC(=O)c1cccnc1Nc1ccccc1F 3425605 VQENCDSLVDUUES-UHFFFAOYSA-N 347.346 1.884 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)[C@H]2CCCO2)cc1 3417905 JVRIRDIEKAVRRM-CQSZACIVSA-N 334.372 1.114 0 40 EDAB CC(C)C(=O)N1CCN(Cc2csc(-c3ncccn3)n2)CC1 48686899 NOLLFPBZUGUUSH-UHFFFAOYSA-N 331.445 1.900 0 40 EDAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c1 4062540 SDSWYPQQXDOHLP-JTQLQIEISA-N 333.340 1.632 0 40 EDAB biogenic O=C(c1ccc(Br)o1)N1CCC[C@@H](N2CCNC2=O)C1 49450572 ZDJHKJAMUPXARB-SECBINFHSA-N 342.193 1.672 0 40 EDAB O=C(Cn1nc2ccccn2c1=O)N1CCCc2c(F)ccc(F)c21 84606589 PZIBMYPEODPHTD-UHFFFAOYSA-N 344.321 1.754 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3ccc4nncn4c3)CCO2)n1 84630852 GSCNTBRUPIGFAS-LBPRGKRZSA-N 341.375 1.185 0 40 EDAB COc1ccc(S(=O)(=O)NCc2nc(C(F)(F)F)no2)cc1 96008918 YCDVBWSMNGZHGP-UHFFFAOYSA-N 337.279 1.576 0 40 EDAB Cc1cnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nc1C 95449296 SOIQSVFJYMUIGF-UHFFFAOYSA-N 343.406 1.993 0 40 EDAB COC(=O)[C@@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)C(C)C 95469603 JLTVJKJKUFVCFF-ZDUSSCGKSA-N 342.417 1.294 0 40 EDAB CC(=O)Nc1ccc(CN2CCN(c3cnn(C)c3)C(=O)C2)cc1 93530431 LOTVMCYDEOLCJY-UHFFFAOYSA-N 327.388 1.227 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(F)cc1 14140977 AZDHBWHRVLCKMH-INIZCTEOSA-N 327.359 1.676 0 40 EDAB CN1CCO[C@@H]2CN(Cc3ccc(Oc4cnccn4)cc3)C[C@@H]21 93642320 YXBCHZXCCWVHCR-DLBZAZTESA-N 326.400 1.784 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 4806640 BLKGJDUGIBRLEB-KOLCDFICSA-N 334.328 1.305 0 40 EDAB CCCCNC(=O)COC(=O)CNC(=O)c1ccccc1OCC 5853407 AJHCIUMRFNUEMB-UHFFFAOYSA-N 336.388 1.275 0 40 EDAB Cc1cccc(OCCCNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c1 9454136 AQFLMDACKJEXBD-UHFFFAOYSA-N 345.399 1.198 0 40 EDAB COCCCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344326 CEJJHOBHNGXAIN-JTQLQIEISA-N 334.351 1.208 0 40 EDAB COC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(C(C)C)CC1 68286193 NIYCUHFZXOOBNE-KRWDZBQOSA-N 347.459 1.943 0 40 EDAB O[C@@H](CN1CCC(c2c[nH]c3ncccc23)CC1)Cn1cccn1 96424353 DSVWUJNVJLREJJ-HNNXBMFYSA-N 325.416 2.000 0 40 EDAB Cn1cc(C(=O)N2CCC[C@H]2Cn2cccn2)c(-c2ccncc2)n1 70041006 RLFAWZZIHLNADK-HNNXBMFYSA-N 336.399 1.983 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2c(C)oc3nc[nH]c(=O)c23)c1 71866886 VSWWDIKSGPPCOM-LBPRGKRZSA-N 341.371 1.634 0 40 EDAB CN(C)C1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1 71828409 XNNTXMIOYVWSES-UHFFFAOYSA-N 337.855 1.896 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O 71896562 AAXFIPYNTJATES-QGZVFWFLSA-N 340.427 1.843 0 40 EDAB CN(Cc1ccccc1)C[C@@H](O)CN1CCO[C@H](Cn2cccn2)C1 69375992 SXEBFMPVWZSEIN-MOPGFXCFSA-N 344.459 1.077 0 40 EDAB CC(C)N(CCNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C1CC1 69418933 ZPHRUARKBVVKRV-HOTGVXAUSA-N 349.475 1.541 0 40 EDAB COC(=O)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 69566020 BXGXNNCRZSXPLF-INIZCTEOSA-N 347.415 1.802 0 40 EDAB C[C@@H]1C[C@H](N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)C(=O)O1 69509183 CPRCNIQRLRFBDF-YGRLFVJLSA-N 340.782 1.941 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)Cc1ccc3c(c1)CCO3)C2 71864882 VFPAGVJYRRWEDW-UHFFFAOYSA-N 326.400 1.921 0 40 EDAB CCS[C@H]1CCCCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 71899381 BJHLYTCLVWVDTN-UONOGXRCSA-N 348.534 1.935 0 40 EDAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CC(n2cccn2)C1 69629838 UDDYSAZGTWZINI-INIZCTEOSA-N 339.443 1.477 0 40 EDAB C[C@H]1CCCC[C@H]1OCCN1CCN(c2ccc3nncn3n2)CC1 71863680 UQEUUOYALZNUCI-JKSUJKDBSA-N 344.463 1.842 0 40 EDAB CC[C@@H]1CN(C[C@H](O)COc2ccc(C)cc2)CCN1CCOC 69738036 WVYAGOKYDNCKJY-MSOLQXFVSA-N 336.476 1.777 0 40 EDAB Cc1nc(Cn2nc(-c3ccc4c(c3)OCCCO4)ccc2=O)no1 69706473 MWMNMTONGDHELM-UHFFFAOYSA-N 340.339 1.811 0 40 EDAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)NCc1cccs1 96514055 ZTSDWCUIRUKBBL-AWNIVKPZSA-N 340.426 1.344 0 40 EDAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(C[C@H](C)O)CC1 69870037 VXCVFUZNXKYHJQ-LBPRGKRZSA-N 331.391 1.821 0 40 EDAB COC[C@@H]1CCCN(C(=O)c2ccc3c(=O)[nH]c(S)nc3c2)C1 69841218 MLZHUWWTJHOXMZ-SNVBAGLBSA-N 333.413 1.710 0 40 EDAB O=C(CC[C@@H]1CCCO1)NCCNC(=O)c1c(F)cccc1F 71902943 JEHLHGIAFSZPSR-NSHDSACASA-N 326.343 1.770 0 40 EDAB COCCN(CC(=O)OC)Cc1cc(Cl)c2c(c1)OCCO2 69951860 LTHAGBCWPWXYAE-UHFFFAOYSA-N 329.780 1.733 0 40 EDAB CN(C(=O)NCc1ncn(C)n1)[C@@H]1CCCN(Cc2ccccc2)C1 92376909 IEMWHECSEFZOPE-MRXNPFEDSA-N 342.447 1.621 0 40 EDAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccnc2OC)cc1 66200227 ZJXVGCDDTWNHBZ-UHFFFAOYSA-N 336.373 1.635 0 40 EDAB CC(C)(C)[C@H](O)CNC(=O)c1cnn2cc(Br)cnc12 92603573 MSWVGPIGWZHTHC-SNVBAGLBSA-N 341.209 1.629 0 40 EDAB CCO[C@@H]1C[C@H](NC[C@]2(N3CCOCC3)CCSC2)C1(C)C 97034455 PMELSFXWFFYALK-ZMSDIMECSA-N 328.522 1.988 0 40 EDAB Cc1nn(CC(=O)NC[C@H](C)Cn2ccnc2)c(=O)c2ccccc12 72292995 JEEXODYHWGYFOY-ZDUSSCGKSA-N 339.399 1.354 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2ccc(F)c(Cl)c2F)CC1 97138697 BSYFAYHXUDDNRZ-UHFFFAOYSA-N 331.750 1.298 0 40 EDAB O=C(NCCc1ccc(Cl)s1)N[C@H]1CCCS(=O)(=O)C1 95985686 JDQWDNWWKLLUEJ-VIFPVBQESA-N 336.866 1.820 0 40 EDAB Cc1ncccc1C(=O)N1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 95998234 FEMRRIHGQBWKGI-KRWDZBQOSA-N 344.459 1.547 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C)C[C@@H]2C)n(-c2ccccc2F)n1 89595850 MXZABUPJYBMAPE-AWEZNQCLSA-N 345.422 1.894 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-c2ccco2)[nH]c1=O 75125475 SMYMKINYWGRQFU-WDEREUQCSA-N 329.356 1.361 0 40 EDAB COc1ccc(OC)c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409375955 RIORPRRFYXXRIS-VWPFQQQWSA-N 333.340 1.687 0 40 EDAB Cc1cc(C(=O)N2C[C@H](c3cnn(C)c3C)[C@@H](C(N)=O)C2)c(C)o1 527579826 CWNLCLQGFNJHLG-CABCVRRESA-N 330.388 1.279 0 40 EDAB CC(C)CCNS(=O)(=O)c1ccc(NCCO)c(C(=O)O)c1 217652853 LIKCULQFNCQJNT-UHFFFAOYSA-N 330.406 1.113 0 40 EDAB Cc1ccc(NC(=O)N2CCN(C(=O)Cc3cnn(C)c3)CC2)cc1 74033245 UZNXPKPDDGLRPS-UHFFFAOYSA-N 341.415 1.647 0 40 EDAB CCCS(=O)(=O)CC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 73204271 GWBBGBOIINCYJC-ZDUSSCGKSA-N 335.429 1.874 0 40 EDAB COC(=O)c1ccc(-c2ccc(CNCCNC[C@@H](C)O)o2)cc1 38245874 JCBYQZGVQOOETB-CYBMUJFWSA-N 332.400 1.793 0 40 EDAB CCn1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cn1 78773308 PIZNYBOUGGTGDQ-UHFFFAOYSA-N 349.460 1.456 0 40 EDAB COC(=O)C[C@@H]1Cc2c(O)nc(NCc3ccccc3)nc2NC1=O 1548338316 HNVJYGGNLDYDDP-NSHDSACASA-N 342.355 1.468 0 40 EDAB CCOC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CO)cc(=O)c1O 71279707 VDMUMCXQCSDPIV-AWEZNQCLSA-N 348.351 1.931 0 40 EDAB NC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218626626 VTFMVLIRCLWHFQ-ZOBUZTSGSA-N 349.383 1.795 0 40 EDAB Cc1cccc(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)n1 70816432 IVFZKIGHIXTURS-UHFFFAOYSA-N 339.351 1.829 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3scnc3Cl)CC2)no1 78912426 HMSMANZSQHRSMF-UHFFFAOYSA-N 341.824 1.700 0 40 EDAB COc1ccc(Oc2nccnc2[C@H]2CCCN(CC(N)=O)C2)cc1 72361803 QYALZKLALQTMQS-ZDUSSCGKSA-N 342.399 1.942 0 40 EDAB O=C(Cn1nc2c3ccc(Cl)cc3ncn2c1=O)NC1CCCC1 35483646 HSODKEHLIYVZSV-UHFFFAOYSA-N 345.790 1.756 0 40 EDAB CCc1ccc(C2=CCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)cc1 180784384 NHPGQPVJXSUVBS-UHFFFAOYSA-N 339.439 1.936 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCN(Cc2ccon2)CC1 187697592 MDADRRWTNQUUKD-AWEZNQCLSA-N 349.456 1.957 0 40 EDAB Cc1cc(N2CCOCC2)nc(NC(=S)NCc2ccco2)n1 225913155 PYCJKPAEFCVYOL-UHFFFAOYSA-N 333.417 1.701 0 40 EDAB CCOC(=O)/C(C(N)=S)=C1\NN=C(c2ccc(Cl)cc2)O1 220857671 RHUFLAGAPBLVGV-FMIVXFBMSA-N 325.777 1.682 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(CC(N)=O)cc1 49510084 CKFDELMIPNLQJX-UHFFFAOYSA-N 338.360 1.663 0 40 EDAB COc1ccc(NC(=O)[C@]23C[C@@H]2CN(C)S3(=O)=O)cc1Cl 225947776 TZDWDLBVWRAMBK-OQPBUACISA-N 330.793 1.321 0 40 EDAB Cc1ccc(F)c(CN(C)S(=O)(=O)N2CCC[C@H](C(=O)O)C2)c1 573680875 JTJCGUFOVPQZQG-LBPRGKRZSA-N 344.408 1.607 0 40 EDAB CCn1c(-c2ccccn2)nnc1S(=O)(=O)Cc1c(C)noc1C 195198345 DOWBLRIGGRZWJD-UHFFFAOYSA-N 347.400 1.939 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 331806537 KMMRUISAGWUSEE-NEPJUHHUSA-N 345.369 1.405 0 40 EDAB CC(C)(O)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 191796599 JHGRNIZPMJQZCW-UHFFFAOYSA-N 339.193 1.621 0 40 EDAB O=C(NCCCNC(=O)c1ccccc1)NC1CCN(C2CC2)CC1 95393710 ORTLQOCYBAUGIU-UHFFFAOYSA-N 344.459 1.733 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCN(C)CC2)ccc1F 96420447 ZSRTVENYAROSPO-CYBMUJFWSA-N 329.441 1.048 0 40 EDAB CCN1C[C@@]2(CCCCN2C(=O)c2cnn3cccnc23)CC1=O 96071692 UVYALXCDMHLYIQ-QGZVFWFLSA-N 327.388 1.346 0 40 EDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3cccc(C)n3)[C@@H]2C1 96109426 VWLHPJPLBRLNHT-UAGQMJEPSA-N 333.432 1.198 0 40 EDAB O=C(Cn1ccnn1)Nc1ccccc1-n1cc(Br)cn1 96455260 VCRKWEPDOPKIRS-UHFFFAOYSA-N 347.176 1.865 0 40 EDAB O=C1CC[C@H](C(=O)NCCCc2ccc(Br)cc2F)N1 96407633 HYXFJIFSHPCMLL-GFCCVEGCSA-N 343.196 1.916 0 40 EDAB CS(=O)(=O)NC[C@H]1OC[C@H]2CN(Cc3cccs3)CC[C@@H]12 96187312 FSWSNMAMJPMHDL-MRVWCRGKSA-N 330.475 1.134 0 40 EDAB CNC(=O)c1ccc(OC)c(NC(=O)C[C@H](N)Cc2ccccc2)c1 578998215 PXGNLZBCMXPEQH-OAHLLOKOSA-N 341.411 1.953 0 40 EDAB C[C@@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCCN2)CC1)c1ccccc1 96481181 DLLIACHQFJWXGY-WMZOPIPTSA-N 343.471 1.993 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N[C@H]3CCCN(C)C3)CC2=O)cc1 96403177 PUQCVZAMEABGNX-CVEARBPZSA-N 345.443 1.254 0 40 EDAB Cc1ncsc1CN1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 97953395 RSVGCRCRZQLNHO-RRFJBIMHSA-N 335.473 1.911 0 40 EDAB O=C(CC1CC1)N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1 96189805 PTKCGZFWDDASMJ-MRXNPFEDSA-N 340.427 1.519 0 40 EDAB O=C(c1ccco1)N1CCCn2c(nc(Cn3ccnc3)cc2=O)C1 96197577 GBJUIIIZPSYXHA-UHFFFAOYSA-N 339.355 1.127 0 40 EDAB COCCN1CC[C@H](NC(=O)NCCc2c(F)cccc2F)C1 96413287 SYXLROHNXKCAFV-LBPRGKRZSA-N 327.375 1.527 0 40 EDAB O=C1NCCN(C(=O)[C@@H]2CCOC2)[C@@H]1c1ccccc1C(F)(F)F 97237916 QJCHOIAXDDJEEW-ZWNOBZJWSA-N 342.317 1.741 0 40 EDAB Cn1cccc1C(=O)N1CCCn2nnc(COCC3CC3)c2C1 96058849 YNWSSLVLIHEOOO-UHFFFAOYSA-N 329.404 1.589 0 40 EDAB Fc1cc(Nc2ccc3nnnn3n2)ccc1NC[C@H]1CCCO1 96417342 YGIHTAKFGHDBHN-LLVKDONJSA-N 329.339 1.993 0 40 EDAB Cc1cccc(CN2C[C@@H]3CN(S(=O)(=O)C4CC4)C[C@@H]3C2=O)c1 96245288 WZVFELDKMWQPLN-ZBFHGGJFSA-N 334.441 1.377 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)Nc1ccccc1Cn1cncn1 95396314 YOEDRFNYEHFDPE-GFCCVEGCSA-N 336.417 1.478 0 40 EDAB COCCNC(=O)[C@H]1CN(Cc2sccc2C)C[C@H]2OCC[C@H]21 96065575 IHEGHEWQIWKKOD-SOUVJXGZSA-N 338.473 1.656 0 40 EDAB O=C(C1CCOCC1)N1CCc2ncnc(N3CCCC3)c2CC1 96084022 GDIWNFOZNCZCLE-UHFFFAOYSA-N 330.432 1.431 0 40 EDAB O=C(c1cscn1)N1CCO[C@@H]2CN(Cc3ccncc3)C[C@@H]2C1 96108095 HAAPGXBCESFLCZ-GDBMZVCRSA-N 344.440 1.511 0 40 EDAB Cn1cccc1C(=O)N1CC[C@]2(C[C@H](Nc3ccccn3)CO2)C1 96219087 KXUVOLYAJGAFII-KSSFIOAISA-N 326.400 1.906 0 40 EDAB Cn1nc(C(=O)N2CCOCC2)c2c1CN(Cc1ccsc1)C2 96187551 LIRQUOOOJYJQNO-UHFFFAOYSA-N 332.429 1.470 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3cccs3)C[C@@H]21)c1ccnnc1 247370946 HBQMUEMJNCRBEX-FVQBIDKESA-N 344.440 1.415 0 40 EDAB Cc1ccc(C(=O)N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)cn1 248087954 KTIFVUCBHCCENS-HNNXBMFYSA-N 340.383 1.633 0 40 EDAB COc1ncccc1C(=O)N1CCO[C@H](c2nc(C)cc(O)n2)C1 257272058 NAXIPKHGWORISS-LBPRGKRZSA-N 330.344 1.108 0 40 EDAB CN1C(=O)CO[C@@H]2CCN(C(=O)c3ccc4ccccc4n3)C[C@@H]21 257295264 QXQGCULBSWSKGK-JKSUJKDBSA-N 325.368 1.307 0 40 EDAB COc1ccc(OCC(=O)N2CCO[C@@H](c3cccc(N)n3)C2)cc1 257274780 NMPGXYMQFLYPQH-MRXNPFEDSA-N 343.383 1.651 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCC[C@H](Cc2cnc(N)cn2)CC1 257229311 FXOXWDKYBURHPR-ZDUSSCGKSA-N 328.420 1.586 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1C 257211984 CBKNXCOBNGERKB-AEFFLSMTSA-N 331.460 1.972 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@H](c3nc(C)cc(C)n3)C2)on1 257231816 GIHOBYKDWNXZEY-AWEZNQCLSA-N 346.387 1.623 0 40 EDAB COc1ccc(-n2nnn(CN3C[C@H](C)O[C@@H](C)C3)c2=S)cc1 25460359 UKCZURHKUIXYQX-RYUDHWBXSA-N 335.433 1.874 0 40 EDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc1cccs1 25447996 UCOUAZHGNBESDZ-UHFFFAOYSA-N 329.381 1.458 0 40 EDAB CC(C)[C@@H](SCc1ccccc1)C(=O)N[C@@H](CO)c1nncn1C 585127740 ICLSDXPCULVZCF-LSDHHAIUSA-N 348.472 1.923 0 40 EDAB CN[C@H](C)CNC(=O)CCn1c(S)nnc1-c1cccs1 585137923 AVNMQCIMHWFGSA-SECBINFHSA-N 325.463 1.410 0 40 EDAB O=S1(=O)CCN(Cc2cnc(-c3ccccc3)o2)[C@H]2CCOC[C@H]21 585136637 NSVVLYZHIXFYCJ-JKSUJKDBSA-N 348.424 1.730 0 40 EDAB O=C(N[C@@H](CO)C(=O)NCCc1ccco1)OCc1ccccc1 585122061 LWZUCEDVYPRRFU-HNNXBMFYSA-N 332.356 1.226 0 40 EDAB CN(C)[S@@](C)(=O)=NC(=O)CN1CCCC[C@@H]1C(=O)OC(C)(C)C 585117220 VERKFJFKXLMFAO-SPSFWMDKSA-N 347.481 1.284 0 40 EDAB COc1ccsc1S(=O)(=O)NCC[S@@](=O)C(F)(F)F 585115399 YMPRWJZTJJLAOD-GOSISDBHSA-N 337.366 1.304 0 40 EDAB CC(C)n1cc(S(=O)(=O)N2[C@@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)cn1 585129444 JRBHMJSCBPEGCJ-WOPDTQHZSA-N 328.438 1.092 0 40 EDAB COC[C@H](C)NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1 585135322 BQETZNQYLPKJCR-LBPRGKRZSA-N 330.384 1.747 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1c(C)noc1C)C2 253380761 BPJQYXOTUJOAEM-ZDUSSCGKSA-N 328.434 1.317 0 40 EDAB COc1ccc(OCC(=O)N2CCO[C@H](c3nccc(C)n3)C2)cc1 257300048 RSRFRNFSYPQARQ-INIZCTEOSA-N 343.383 1.773 0 40 EDAB c1csc(CN2CCOC[C@]3(CC[C@@H](CN4CCCC4)O3)C2)n1 253596222 ORABJWNJSQSFJK-RDJZCZTQSA-N 337.489 1.989 0 40 EDAB CNc1ncccc1CN1CCO[C@H](CCc2cc(O)ncn2)C1 257265779 MAFIZEXIHARHCA-OAHLLOKOSA-N 329.404 1.453 0 40 EDAB CCO[C@H]1C[C@](NC(=O)c2cnn3ccc(C)nc23)(C(=O)O)C1(C)C 262824672 QFLKZVXACFZKKW-SJCJKPOMSA-N 346.387 1.426 0 40 EDAB Cc1cc2occ(CC(=O)NN3CC(=O)NC3=O)c2cc1C(C)C 25612282 NTDTYVNNCYSZQD-UHFFFAOYSA-N 329.356 1.990 0 40 EDAB CN=[S@@](=O)(c1ccc(NC(=O)CCc2cnn(C)c2)cc1)N(C)C 1615615495 XWVLNRYVHNPFEW-DEOSSOPVSA-N 349.460 1.925 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)NCC2=CCOCC2)c(Cl)c1 397767967 SYLRFYHJHXGOFA-UHFFFAOYSA-N 331.777 1.663 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 575403478 LXOXUIPUKSBRFO-AWEZNQCLSA-N 340.383 1.572 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575403081 IJZIUROVSPRVDG-LBPRGKRZSA-N 328.459 1.759 0 40 EDAB Cc1ccccc1C[C@]1(CO)CN(C(=O)Cc2cnc[nH]2)CCO1 585276144 MKXXCVGOXIMWQP-GOSISDBHSA-N 329.400 1.093 0 40 EDAB CC(C)c1nncn1CCNS(=O)(=O)c1cccc2ccncc12 903637076 GXBLUFYDBYHBAL-UHFFFAOYSA-N 345.428 1.928 0 40 EDAB O=C(CC1(O)CCC1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 585108676 VWKGUYFXMMOFFC-RYRKJORJSA-N 346.427 1.662 0 40 EDAB COc1ccc(-c2cnc3n2CCN(C(=O)[C@@H]2CCOC2)CC3)cc1 585111275 MGRHMQPENSTYLO-OAHLLOKOSA-N 341.411 1.980 0 40 EDAB CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1ccsc1)N(C)C 65493530 SWIFDUKWLRVFDA-QWHCGFSZSA-N 341.502 1.779 0 40 EDAB CC(=O)Nc1ccc(CCNC(=O)NCc2nc(C3CC3)no2)cc1 70008939 HYAZCVUPUUKGLI-UHFFFAOYSA-N 343.387 1.947 0 40 EDAB O=C(CN1CC(c2nc(-c3cccs3)no2)C1)NC[C@@H]1CCCO1 49484596 IEEYHRDKOZQNGG-LBPRGKRZSA-N 348.428 1.493 0 40 EDAB O=S(=O)(C1CC1)N1CCC(CNc2ncnc3cnccc23)CC1 1776001168 BUCRVMXHUQQZGY-UHFFFAOYSA-N 347.444 1.641 0 40 EDAB O=C(CCNC(=O)c1cccc(N2CCNC2=O)c1)NC1CCCC1 56190890 SNDFNTMEPVSKFN-UHFFFAOYSA-N 344.415 1.395 0 40 EDAB C[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1O)Cn1ccnc1 95997802 FBRBNYADMMAZQO-GFCCVEGCSA-N 343.362 1.980 0 40 EDAB O=C(CO)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 96496674 ALTUAHXMZMBKSP-NWDGAFQWSA-N 348.296 1.181 0 40 EDAB CN(C)c1ncccc1NC(=O)CSc1nnnn1C1CCCC1 60558813 ZUCZUAGOWAKYPO-UHFFFAOYSA-N 347.448 1.980 0 40 EDAB NC(=O)[C@@H]1CCCN(c2ccc(C(=O)OCc3ccno3)cc2)C1 84392541 IGDHOCRAUMTTES-CYBMUJFWSA-N 329.356 1.733 0 40 EDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C[C@@H](CO)[C@H](O)C1 85468894 ITUWCHSZXCXRFP-VHRBIJSZSA-N 327.808 1.745 0 40 EDAB Cn1c(=O)n(C)c2cc(NC(=O)C(C)(C)CN3CCOCC3)ccc21 585129852 YZHCUIJZNJMEFI-UHFFFAOYSA-N 346.431 1.174 0 40 EDAB COc1ccc(S(=O)(=O)N2CC(n3nccn3)C2)cc1Cl 888107112 NDEYYAPIOHAWEX-UHFFFAOYSA-N 328.781 1.186 0 40 EDAB CN(C)c1nc(O)cc([C@@H]2CCN(C(=O)CCc3ccno3)C2)n1 12406501 FKTAKTKRBCDKDU-LLVKDONJSA-N 331.376 1.185 0 40 EDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1cccc(Cl)c1 12409162 AXBRXRFGPIZRFI-UHFFFAOYSA-N 331.763 1.951 0 40 EDAB CNS(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1 13551060 AINBBRFKHVXPNB-UHFFFAOYSA-N 348.409 1.852 0 40 EDAB Cc1ccc(OCCNC(=O)c2cc(S(N)(=O)=O)ccc2C)cc1 14240790 URVLFVWAIDEGGM-UHFFFAOYSA-N 348.424 1.760 0 40 EDAB CCn1ncc(S(=O)(=O)N(C)Cc2c(C)nn(C)c2C)c1C 14250120 OTLKHNCQJUEEAR-UHFFFAOYSA-N 325.438 1.382 0 40 EDAB Cc1ccccc1N1C(=O)C[C@H](N2CCC3(CC2)OCCO3)C1=O 17946085 BLVRTKSUSKGKOU-HNNXBMFYSA-N 330.384 1.466 0 40 EDAB CS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)NCC(F)F)cn2)C1 19706061 VRJFKACPZRJVQN-NSHDSACASA-N 347.387 1.216 0 40 EDAB Cc1nnsc1C(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1 225790057 DVQMFQDHVOPPRN-UHFFFAOYSA-N 344.444 1.478 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 7723193 WYPWTBCBFBOLPN-RYUDHWBXSA-N 326.393 1.315 0 40 EDAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 1888853231 WWNRNRATKCHQAY-NSHDSACASA-N 330.392 1.433 0 40 EDAB Cc1nnc2c(N3CCC(Oc4ncc(Cl)cn4)CC3)nccn12 1888869776 OUJUIPHXAPMHSD-UHFFFAOYSA-N 345.794 1.924 0 40 EDAB NC(=O)c1cc(OC2CN(C(=O)c3cc(F)cc(Cl)c3)C2)ccn1 1889149351 LFTGGZLIAIFDKU-UHFFFAOYSA-N 349.749 1.876 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(c2ccc(Br)cn2)C1 131391974 JKMCZOFIGMJVHN-SNVBAGLBSA-N 334.239 1.362 0 40 EDAB COCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3nccs3)n2)C1 2037835828 ADBPNGGBVNHRKN-LLVKDONJSA-N 333.417 1.947 0 40 EDAB O=C(CN1CCCC1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037909022 NCKSVGKHHMRUOK-GOSISDBHSA-N 336.407 1.654 0 40 EDAB COC1(CC(=O)N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CCC1 1614929807 SYYADKWPYQUWDJ-QGZVFWFLSA-N 346.431 1.335 0 40 EDAB COc1cc(C(=O)N2Cc3nccn3C[C@H](CN(C)C(C)C)C2)on1 1565543111 WOQCWGZNXRVXSN-ZDUSSCGKSA-N 347.419 1.492 0 40 EDAB O=C(O)COc1ccccc1-c1nnn(Cc2ccccc2F)n1 4784677 XIVVLCYXFJTDDD-UHFFFAOYSA-N 328.303 1.991 0 40 EDAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)N1CCNC1=O 6062666 XQMUNGRARYHWOJ-UHFFFAOYSA-N 328.357 1.150 0 40 EDAB CCOC(=O)CNC(=O)Cn1c(-c2cccnc2)nc2ccccc21 23144152 MLALJEWYGULVTE-UHFFFAOYSA-N 338.367 1.778 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CC[C@H](Oc2cnsn2)C1 618257058 PTHCQECSPDLAAI-VIFPVBQESA-N 333.398 1.836 0 40 EDAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@@H](CC(=O)O)C4)c1 618255074 JSNWBVZYSSLVHE-NSHDSACASA-N 342.380 1.840 0 40 EDAB CCCc1cc(=O)n2nc(NC(=O)CCc3ccccc3)nc2[nH]1 100650761 LINHOJKSPKIACP-UHFFFAOYSA-N 325.372 1.941 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](CN)C1 50246678 XVGWPFVUOGOCBO-SNVBAGLBSA-N 333.251 1.727 0 40 EDAB Cc1cc(C)c2cc(C(=O)NC3CCN(S(C)(=O)=O)CC3)[nH]c2c1 40497325 KLMMJGAVFWBZQV-UHFFFAOYSA-N 349.456 1.939 0 40 EDAB Cc1c([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cnn1C 31596533 KZDGLAQLRHALMU-JTQLQIEISA-N 336.417 1.591 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)Cn2c(C)cc(=O)n3ncnc23)c1C 40538564 XKGYFDWJFITMFD-HNNXBMFYSA-N 342.399 1.565 0 40 EDAB C[C@H](NC(=O)NCc1cccc(N2CC=CC2)c1)c1nncn1C 101348173 NGKVSTKWDBSVNL-ZDUSSCGKSA-N 326.404 1.752 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(C[C@H](O)COCc2ccccc2F)C1=O 21559195 DCCFKBXZJLOBHK-SUMWQHHRSA-N 336.363 1.424 0 40 EDAB CNS(=O)(=O)c1ccc(NC(=O)CCN2CCSC2=O)cc1 32820591 AWXHMVRSXQGREL-UHFFFAOYSA-N 343.430 1.092 0 40 EDAB Cc1cc(-n2c(C)cc(C(=O)N3CCC(C(N)=O)CC3)c2C)no1 22017504 LWNCRTDMCDMIGR-UHFFFAOYSA-N 330.388 1.728 0 40 EDAB O=C1C[C@H](N(C(=O)CCc2c[nH]c3ccccc23)C2CC2)C(=O)N1 103736788 QLYSOBVMPIVBQV-HNNXBMFYSA-N 325.368 1.507 0 40 EDAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 76942510 GWWAUIHNQHBMDB-ROUUACIJSA-N 341.455 1.521 0 40 EDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 922387 YYCZIFNUGKRWBZ-UHFFFAOYSA-N 339.413 1.853 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)N2CCCSCC2)s1 78624294 NNKVMYZWCXTWAV-UHFFFAOYSA-N 334.488 1.512 0 40 EDAB O=C(NCCc1ccncc1)c1cccc(S(=O)(=O)NC2CC2)c1 78954488 WDUWIFSAJKPBBW-UHFFFAOYSA-N 345.424 1.495 0 40 EDAB Cc1ccc(-n2nnnc2NCCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 54061002 NTKHKYUPDALUBY-OKILXGFUSA-N 344.419 1.409 0 40 EDAB C[C@H]1CCc2ccccc2N1CCC(=O)N[C@@H]1CCN(C(N)=O)C1 78966213 RIJKDSMSBFBHBC-DZGCQCFKSA-N 330.432 1.487 0 40 EDAB O=C(N[C@@]1(C(=O)O)CCSC1)c1ccc(Br)cn1 61860663 AEYJYJJRMNPBET-NSHDSACASA-N 331.191 1.534 0 40 EDAB O=C(NCCc1c[nH]cn1)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4902935 HLMAVHNIQREHGF-BOPFTXTBSA-N 349.394 1.868 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2sccc2C)NC(=O)N[C@H]1C 6052153 BSSJXNZGZHTFGS-VIFPVBQESA-N 338.385 1.732 0 40 EDAB O=C(c1cccc(CN2CCN(CCO)CC2)c1)N1CCCCC1 54807594 FUWJIUZZWWHDCO-UHFFFAOYSA-N 331.460 1.423 0 40 EDAB Cc1nnc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)s1 43412432 DJEYNNOBGJPVBQ-AWEZNQCLSA-N 347.444 1.869 0 40 EDAB O=C(c1nc(N2CCCC2)ncc1Cl)N1CCN(CC2CC2)CC1 55673908 MLMDFRGZIKUYBL-UHFFFAOYSA-N 349.866 1.898 0 40 EDAB COC[C@H](C)NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C 25381448 HRLOQYUDYYGINC-ZETCQYMHSA-N 345.325 1.454 0 40 EDAB C[C@@H](NC[C@H]1CCc2nncn2C1)C(=O)N1CCc2sccc2C1 72252911 PUURSDPNDGFPEU-CHWSQXEVSA-N 345.472 1.465 0 40 EDAB Cc1ccccc1C1(CNC(=O)N2CC[C@H](C(N)=O)C2)CCOCC1 56948406 FERKAESIKBTVNK-HNNXBMFYSA-N 345.443 1.560 0 40 EDAB C[C@H]1CN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H](C)O1 12683083 QVYYKHZCBBVLNQ-TXEJJXNPSA-N 349.387 1.215 0 40 EDAB COc1ccccc1[C@H](CNC(=O)c1cnn(C)c1)N1CCCC1 44870719 IIXYNHBEMMPNLX-INIZCTEOSA-N 328.416 1.996 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 58283060 WYLKIYOLUSALHU-STQMWFEESA-N 340.468 1.093 0 40 EDAB COC[C@@H](C)N(C)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl 58292087 YCTCYTGOGQZFRO-SECBINFHSA-N 335.809 1.782 0 40 EDAB Cc1csc([C@@](O)(CC(=O)Nc2c[nH]ccc2=O)C(F)(F)F)n1 58202842 GWYHCPBHVXGMCR-LBPRGKRZSA-N 347.318 1.919 0 40 EDAB CCN(C[C@H]1CCCO1)C(=O)Cn1cnc2c(C)cccc2c1=O 58216105 MRTMJBZYEUIOMV-CQSZACIVSA-N 329.400 1.732 0 40 EDAB Cc1ccn2cc(C(=O)N3CCCN(C[C@@H]4CCCO4)CC3)nc2c1 44911296 SQKXLPQWJOYTTO-INIZCTEOSA-N 342.443 1.970 0 40 EDAB COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)COc1ccc(C(C)C)cc1 72292920 ZNTPHRIBNMXXOK-MRXNPFEDSA-N 345.399 1.812 0 40 EDAB O=C(NCCCCN1CCOCC1)[C@H]1Cc2cc(Cl)ccc2O1 48285168 ZGNGKVRUULOZHV-MRXNPFEDSA-N 338.835 1.872 0 40 EDAB CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 28640585 GDYOMGUUKHIYQD-UHFFFAOYSA-N 326.399 1.859 0 40 EDAB CCOCCCNC(=O)[C@H]1CCC[C@@H](C(=O)NCCCOCC)C1 58377546 FYCZQIURXWVHRU-IYBDPMFKSA-N 342.480 1.878 0 40 EDAB CC(C)(CNC(=O)OC(C)(C)C)NC(=O)NC1CCC(O)CC1 84240481 NRDXCCDLAWUNJD-UHFFFAOYSA-N 329.441 1.892 0 40 EDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(F)c1F 12795521 KYEKZQIYJJZIJO-LBPRGKRZSA-N 346.399 1.090 0 40 EDAB Cc1csc(NC(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)n1 27976272 MTZPXOZZYKVONI-JTQLQIEISA-N 330.373 1.833 0 40 EDAB Cc1cc([C@@H]2CCCN2C(=O)NC[C@H]2CCS(=O)(=O)C2)on1 45675156 GFMONWWGIRSSCJ-NEPJUHHUSA-N 327.406 1.264 0 40 EDAB C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(N)=O 11458502 XSESQRIUTPRFRG-CMPLNLGQSA-N 338.791 1.609 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccco1)c1ccccc1 29069320 UHWOOUCDIQPQGE-INIZCTEOSA-N 338.367 1.649 0 40 EDAB COc1c(C)cc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(C)c1C 11566112 VGDOHEVACGFFPO-UHFFFAOYSA-N 340.445 1.473 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)NCc1nnc2n1CCCCC2 48344914 MUFOCWXZZVJEHF-UHFFFAOYSA-N 342.399 1.982 0 40 EDAB CNC(=O)CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 36811522 HJXKADAYCGCCFI-SNVBAGLBSA-N 327.793 1.005 0 40 EDAB C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(F)c(Cl)c1 46035554 XLFYDMMYQNJXQQ-JTQLQIEISA-N 336.816 1.478 0 40 EDAB C[C@@H](c1nc(=O)c2ccccc2[nH]1)N1CCN(C(=O)N(C)C)CC1 29925491 CJNDQELRQOVQPJ-LBPRGKRZSA-N 329.404 1.283 0 40 EDAB O=C(C[C@@H]1CCCO1)NCCS(=O)(=O)N1CCc2ccccc21 46788671 IXJKPJDIWWRTGS-AWEZNQCLSA-N 338.429 1.064 0 40 EDAB COCCNc1nnc(SCC(=O)Nc2cc(C)on2)s1 3421312 WWWXRFBRKSPKPK-UHFFFAOYSA-N 329.407 1.624 0 40 EDAB O=C(COc1ccc2ccc(=O)oc2c1)NC(=O)NCc1ccco1 3493747 OJXZHFSTXULHJH-UHFFFAOYSA-N 342.307 1.791 0 40 EDAB COc1ccccc1CN1CC(=O)N2Cc3ccccc3C[C@@H]2C1=O 4029877 GDOYHFJUYKXHDY-QGZVFWFLSA-N 336.391 1.991 0 40 EDAB biogenic Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3nnn[nH]3)ccc12 6167421 WMJOGJJZIGTXRQ-UHFFFAOYSA-N 330.300 1.211 0 40 EDAB COc1c(C)cnc(CNC(=O)NCc2nnc3n2CCC3)c1C 65388353 IFLRZGDVVXBTKN-UHFFFAOYSA-N 330.392 1.244 0 40 EDAB COCc1cccc(N[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 65435137 ACTOVCJGVCJXMI-SWLSCSKDSA-N 340.445 1.279 0 40 EDAB CC/C(NCCCO)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 6365254 NYTFIWBIRHTFLT-BUHFOSPRSA-N 331.372 1.214 0 40 EDAB CCOCCN(C[C@@H](C)C(=O)OC)C(=O)Cc1ccccc1OC 65550678 ORYPSJURGJFEPD-CQSZACIVSA-N 337.416 1.912 0 40 EDAB COCCN1CCC[C@H]1CNC(=O)/C=C/c1ccc(OC)c(OC)c1 65564051 FWLKNMVUECACFR-DYLHUKMJSA-N 348.443 1.944 0 40 EDAB O=C(Cn1nc(-c2ccccc2)oc1=O)NCCc1cccs1 14109781 SBKDKQLPQSJJJC-UHFFFAOYSA-N 329.381 1.924 0 40 EDAB CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cnc2onc(C)c2c1 65622906 BRKFEXFGKHYZRW-ZANVPECISA-N 348.428 1.961 0 40 EDAB CCOC(=O)[C@@H]1CCCN(CC(=O)NC(=O)NC2CCCCC2)C1 6612815 YGBTZUXCWGNXQS-CYBMUJFWSA-N 339.436 1.420 0 40 EDAB COC(=O)c1cccc(NC(=O)[C@H](C)n2c(C)cc(C)nc2=O)c1 19820857 JEMQJHPJLZTPQM-LBPRGKRZSA-N 329.356 1.846 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1 68544683 SHOYRBVUVYGQSN-RYUDHWBXSA-N 330.392 1.692 0 40 EDAB COc1ccc(CCNC(=O)CN2CC(n3nc(C)cc3C)C2)cc1 71880634 UUHHWWHSTABGPU-UHFFFAOYSA-N 342.443 1.724 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)c2cncnc2C)CC1 71863860 IXRINLUELOANQD-UHFFFAOYSA-N 328.420 1.350 0 40 EDAB CCc1nc(CN(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cs1 71897136 ONFFAFOXLFPTAG-KGLIPLIRSA-N 344.502 1.874 0 40 EDAB Cc1nnc2n1CCN(CC(=O)NC1CCC(C(F)(F)F)CC1)C2 71871923 BUMKNAWWUOONJI-UHFFFAOYSA-N 345.369 1.639 0 40 EDAB Cc1noc([C@@H](C)N2CCN([C@@H](C)C(=O)NC3CCCCC3)CC2)n1 69374210 MUISFFHVSBUUAP-UONOGXRCSA-N 349.479 1.894 0 40 EDAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)n1 69350064 PWYGVCAKXLVKOU-UHFFFAOYSA-N 338.389 1.254 0 40 EDAB C[C@H](Sc1nc2ccsc2c(=O)n1C)C(=O)N1CCNC1=O 8327315 TXLOWWBCMPUMQE-ZETCQYMHSA-N 338.414 1.027 0 40 EDAB c1ccc(-c2cc(CN3CCO[C@H](Cn4cncn4)C3)on2)cc1 71876548 SNAJYDNYNKYYFC-INIZCTEOSA-N 325.372 1.834 0 40 EDAB COc1ccc(CCC(=O)Nc2c(C(N)=O)n[nH]c2C)cc1OC 71804242 KTZJKTQCVRCJBK-UHFFFAOYSA-N 332.360 1.406 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)[C@H]2C[C@H]2c2cnn(C)c2)CC1 71841363 QLLLICHBYFAPQR-HOTGVXAUSA-N 343.431 1.473 0 40 EDAB CCCCn1nnnc1CN(C)[C@H]1CCCN(c2ccc(C)nn2)C1 71859805 SYCBIJCVZIPBNL-HNNXBMFYSA-N 344.467 1.672 0 40 EDAB CC(C)OCCC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69440487 MUYFXVHZYUWBFX-UHFFFAOYSA-N 344.415 1.662 0 40 EDAB Cc1ccc([C@H](NC(=O)CN2CCn3c(C)nnc3C2)C2CC2)cc1 69484954 IFASAZLYTHGMLD-IBGZPJMESA-N 339.443 1.978 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCN(C[C@@H](O)Cn3cccn3)CC2)n1 69630465 OXCXONKWCBMCKP-HUUCEWRRSA-N 348.451 1.129 0 40 EDAB CCNC(=O)NC(=O)CN1CCN([C@H](C)c2cccc(OC)c2)CC1 69600521 ZWUCTWLACVRPCK-CQSZACIVSA-N 348.447 1.220 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 8500825 UOJSORJEEACOTA-HNNXBMFYSA-N 348.794 1.704 0 40 EDAB CC(C)N1C(=O)C(=O)N(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O 71916355 UIQIFJVMMQTKAJ-NSHDSACASA-N 339.392 1.443 0 40 EDAB CCN(C(=O)CCc1c(C)nn(C)c1C)[C@@H](C)CS(C)(=O)=O 71902973 FBXNUEJBOIKAHP-NSHDSACASA-N 329.466 1.251 0 40 EDAB CNc1cc(C(=O)NCCNC(=O)Cc2ccccc2)cc(Cl)n1 69737311 UTNQFMJGGIJRNL-UHFFFAOYSA-N 346.818 1.865 0 40 EDAB Cc1nn(CCO)c(C)c1CN[C@@H]1CCCN(c2cccnn2)C1 69740178 HJSCDHUZGZGAEF-OAHLLOKOSA-N 330.436 1.041 0 40 EDAB CCN1C[C@H](C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1=O 69702561 JHYJCUUEBPQZQO-LLVKDONJSA-N 327.425 1.274 0 40 EDAB Cc1cccc(NC(=O)[C@@H]2CCCN(C[C@H](O)Cn3cccn3)C2)n1 69844158 XWRAXAQCGCAXLH-CVEARBPZSA-N 343.431 1.298 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)c2ncoc2-c2ccccc2)CC1 69951848 YGUWMCMDQKRTNZ-UHFFFAOYSA-N 349.412 1.449 0 40 EDAB Cc1cc(F)ccc1CCNC(=O)NCC(=O)NCc1ccco1 87059975 SBMMLCCZGLDSBP-UHFFFAOYSA-N 333.363 1.885 0 40 EDAB CN(Cc1nccn1C)C(=O)c1cc(N2CCNC2=O)ccc1F 95399362 QKKLEACWERFBFP-UHFFFAOYSA-N 331.351 1.361 0 40 EDAB Cc1noc(COCC(=O)Nc2cc(C)c(Br)cn2)n1 84114883 ONZZPKRAVSGZOD-UHFFFAOYSA-N 341.165 1.999 0 40 EDAB Cn1ncc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1N 97046104 NNLCUOYRZPOHSS-UHFFFAOYSA-N 328.351 1.300 0 40 EDAB CCN1C(=O)N[C@](C)([C@H]2CCCN(Cc3nnc(C4CC4)o3)C2)C1=O 95402626 ZXMFEXAFQXYXNS-YVEFUNNKSA-N 347.419 1.489 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1sccc1OC(F)F 95948368 HMBXIPREZIQAKK-SSDOTTSWSA-N 325.358 1.514 0 40 EDAB COCCCC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 75127536 VLAXBPIQRSNRHI-CQSZACIVSA-N 325.453 1.005 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)NCc1ccccn1 75132494 ACLXDOMEEVIXSF-INIZCTEOSA-N 327.432 1.885 0 40 EDAB C[C@@H](NC(=O)N1CCC(NS(C)(=O)=O)CC1)c1ccccc1F 89909731 PGNKCAXDFFUCRX-LLVKDONJSA-N 343.424 1.610 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccc(-n2cnnn2)cc1)c1ccsc1 25329126 VDGCDAUMFZKAMD-HNNXBMFYSA-N 342.428 1.757 0 40 EDAB Cc1nc(C(=O)N2CC[C@@H](N(C)C)[C@H]2C)nn1-c1ccc(F)cc1 557408123 WNBPTFZCPNBQDC-IAQYHMDHSA-N 331.395 1.879 0 40 EDAB Cn1cc(/C=C/C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cn1 25458182 KBQLCBYRGPVYEC-RGDDUWESSA-N 346.456 1.685 0 40 EDAB CCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408551313 HHOFZCZQMKCQIX-GFCCVEGCSA-N 328.434 1.587 0 40 EDAB O=C(c1ccsc1)N1CCCc2cnc(N3CCOCC3)nc21 675008345 SYZZGXKVNVILIE-UHFFFAOYSA-N 330.413 1.968 0 40 EDAB CC1CCC(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 32643020 MIBRMUTVLMCUNV-UHFFFAOYSA-N 337.445 1.734 0 40 EDAB COc1cccc2c(C(=O)N3CCN(c4ncc[nH]4)CC3)n[nH]c12 522012290 ICYIJGGSPWULBA-UHFFFAOYSA-N 326.360 1.257 0 40 EDAB O=C(Nc1nccs1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 70816436 VFYHNOAEPBDIMK-UHFFFAOYSA-N 331.353 1.583 0 40 EDAB CCCCNc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)O 217662626 JJZVQHUIJHOESU-NSHDSACASA-N 344.433 1.910 0 40 EDAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)O)n2C)cc1 72328113 ZKYZIJLRWVMJJE-UHFFFAOYSA-N 336.373 1.182 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(c2nnc(C(F)(F)F)s2)C1 131429974 DURCVIOMOFWTTA-LURJTMIESA-N 330.357 1.075 0 40 EDAB Cc1cccc(C2(C(=O)NC[C@@H]3C[C@@H](c4nc[nH]n4)C[C@@H]3O)CC2)c1 527561001 QTWBMVIILVFURN-YCPHGPKFSA-N 340.427 1.816 0 40 EDAB CC[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H](C)S(C)(=O)=O 81200266 FYRODDTVCHCFIZ-ZBFHGGJFSA-N 338.473 1.543 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 69669729 FGLCZLKOFYQFKM-RYUDHWBXSA-N 329.404 1.586 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)c1ccc2c(c1)CCC(=O)N2C 136691988 IQCAVXCFKVRIRH-UHFFFAOYSA-N 326.400 1.876 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N1[C@H]2CCC[C@@H]1COC2 85471105 GSPSCWHKDUPQFJ-AOOOYVTPSA-N 331.415 1.477 0 40 EDAB O=C(O)c1cc(Br)cnc1OCCN1CCOCC1 143956717 ZDDSERVFBROPAB-UHFFFAOYSA-N 331.166 1.253 0 40 EDAB Cn1cc(N2CC3(CCN(Cc4ccoc4)CC3)OCC2=O)cn1 96201447 YIPPQARKBRIKPA-UHFFFAOYSA-N 330.388 1.411 0 40 EDAB O=S(=O)(c1ccccc1)N1CC2(CCN(c3ncccn3)C2)C1 96202566 OOHUBOLWQQHSRZ-UHFFFAOYSA-N 330.413 1.378 0 40 EDAB C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cccs1 96025989 HZXAXROOLAOTDV-OAHLLOKOSA-N 339.438 1.869 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccccn2)O1 96040902 HOZBBSGGMXYCIF-OAGGEKHMSA-N 339.399 1.632 0 40 EDAB c1cc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)ccn1 96108774 NGRGADGFRDOGPA-RTBURBONSA-N 332.444 1.973 0 40 EDAB Cc1cccc(C(=O)Nc2nnc(CCN3CCOCC3)s2)c1 95116116 BENCHQJNYAOHKZ-UHFFFAOYSA-N 332.429 1.974 0 40 EDAB Cn1ncc2c(=O)c(C(=O)N3CCc4cc(F)ccc4C3)c[nH]c21 97237553 NKHGJFOKACEMAN-UHFFFAOYSA-N 326.331 1.599 0 40 EDAB CCN(C)C[C@@H]1CCN(C(=O)NCc2cccc(-n3cncn3)c2)C1 95407640 GZZZAPRIKRKGNI-INIZCTEOSA-N 342.447 1.751 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)CO[C@@H](COc1cccnc1)C2 96106118 CDDIUUIAWQRDKD-OAHLLOKOSA-N 340.445 1.681 0 40 EDAB Cc1cccc2c1O[C@H](C(=O)N1CCC(n3cnnc3O)CC1)C2 580843057 YDFGAINPDWEWFI-AWEZNQCLSA-N 328.372 1.459 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccco2)[C@@H]2CCCO[C@H]12)c1cscn1 96064572 ZZVHIOZJOBCUMA-BPLDGKMQSA-N 333.413 1.898 0 40 EDAB O=C(c1ccoc1)N1CCC[C@@]2(COCCN(c3cnccn3)C2)C1 96049647 SLSWWFZJGZHHAQ-SFHVURJKSA-N 342.399 1.829 0 40 EDAB Cc1ccnc(NC(=O)COCc2nc(-c3cccnc3)no2)c1 96182078 HEBACCPABMBGCJ-UHFFFAOYSA-N 325.328 1.990 0 40 EDAB CO[C@H]1C[C@@H](CN(C)C(=O)CCc2cccc3c2OCO3)N(C)C1 583618988 PXYLLVJUPCDFTA-GJZGRUSLSA-N 334.416 1.525 0 40 EDAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1CNC(N)=O 95951534 PBGQYQBKHZFDJA-UHFFFAOYSA-N 339.351 1.660 0 40 EDAB c1ccc(CN2CC3(CC[C@H](CNc4ncccn4)CO3)C2)nc1 248107332 PNBZRHMKBOSACM-OAHLLOKOSA-N 325.416 1.965 0 40 EDAB O=C(NC[C@@H]1CN(c2ncccn2)Cc2ccnn2C1)c1ccco1 247480391 IRQXYXXSSDEMBA-CYBMUJFWSA-N 338.371 1.333 0 40 EDAB Cn1cc(C(=O)N2CC3(C2)OCC[C@@H]3COc2ccccn2)cn1 248131640 NKOMLQQTENOBLX-CQSZACIVSA-N 328.372 1.125 0 40 EDAB NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NC1CCCCC1 585121318 LVYDUNMXQBDRBQ-CQSZACIVSA-N 335.379 1.248 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@H](c2cnccn2)C1 257266749 MEIYOFOUOARUGA-INIZCTEOSA-N 337.383 1.886 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)c3ncccn3)CCO2)ccn1 257342380 ZOIRVCVBJQBAGE-OAHLLOKOSA-N 341.415 1.411 0 40 EDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2cn(C)nc2C)nc1 257250724 JNUMQZLCFRSFRD-QGZVFWFLSA-N 341.415 1.737 0 40 EDAB Cc1nc(-c2ccc(N3CCN(C(=O)c4ccno4)CC3)nc2)no1 85436343 VYESRZZKNOXGSZ-UHFFFAOYSA-N 340.343 1.390 0 40 EDAB COc1ccccc1OCC(=O)N1CCC(Oc2cnccn2)CC1 85471827 JISGJDKLVWCXKG-UHFFFAOYSA-N 343.383 1.934 0 40 EDAB CCCn1ccnc1CN1CC[C@@]1(CCCc1cnccn1)C(N)=O 257313140 UREIOOIDFMDCAN-SFHVURJKSA-N 342.447 1.536 0 40 EDAB CC(=O)N1CC[C@H](Cc2nccnc2-c2cncc(C(=O)O)c2)C1 257330252 XNPNIFJKMHSEIY-GFCCVEGCSA-N 326.356 1.648 0 40 EDAB NC(=O)C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1Oc1ccccc1 257285588 PHWNRGJHBXNSOP-JSGCOSHPSA-N 345.424 1.928 0 40 EDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@H](C)C(C)C)O2 260907970 VGWGAHWDLSEHED-DOMZBBRYSA-N 340.445 1.683 0 40 EDAB C[C@](O)(CN1CCN(C(=O)c2ccc(O)cc2)CC1)C(F)(F)F 281956423 KAPXEOGWZVMEAL-AWEZNQCLSA-N 332.322 1.463 0 40 EDAB CNC(=O)[C@@H](O)CNc1nnc(-c2ccccc2)cc1C(F)(F)F 1615583309 CDOLDSLVBINFBJ-LBPRGKRZSA-N 340.305 1.681 0 40 EDAB Cc1c(-c2noc(CCc3cccc(O)c3)n2)c(O)nc(=O)n1C 1615613765 JWEFBOIJNXAEPH-UHFFFAOYSA-N 328.328 1.335 0 40 EDAB COCCn1cc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)cn1 298858218 NZFJORSDWATWGX-UHFFFAOYSA-N 345.402 1.398 0 40 EDAB COC1CCN(c2ccc(NS(=O)(=O)c3c[nH]cn3)cc2)CC1 96104526 UZLJQUQKUQWXGV-UHFFFAOYSA-N 336.417 1.826 0 40 EDAB CCn1cc(-c2noc(CNC(=O)CCc3c(C)noc3C)n2)cn1 390830758 NDOPVYGQCRTNJY-UHFFFAOYSA-N 344.375 1.807 0 40 EDAB CO[C@@]1(COc2ccc(C)cc2)CCN(C(=O)Cc2cnc[nH]2)C1 585275305 AAECHISMIPFCDK-SFHVURJKSA-N 329.400 1.957 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 29193353 SIVSYYAYFIYLBA-JTQLQIEISA-N 334.800 1.633 0 40 EDAB O=C(Cc1ccc(Cl)cc1Cl)NCCN1C(=O)CCC1=O 69811946 JUHCODSFLPJTJY-UHFFFAOYSA-N 329.183 1.801 0 40 EDAB Cn1c(=O)n(C)c2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)ccc21 71846856 UGSBMOCRBIXWEA-VXGBXAGGSA-N 329.356 1.483 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)c2ccncc2Cl)CC1 73848059 RCYBGBPCXWSHEV-UHFFFAOYSA-N 331.825 1.279 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)NCCc2nc3c(F)cccc3n2C)cn1 75136633 OBKBRBAHMYRFTR-QWHCGFSZSA-N 341.390 1.908 0 40 EDAB COCCCN(C)C(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O 75124422 FSRFNQYFOILNAD-UHFFFAOYSA-N 330.388 1.178 0 40 EDAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(CCO)CC1 78762514 ASGPYHJHXQSVEI-UHFFFAOYSA-N 332.429 1.264 0 40 EDAB COC(=O)[C@@H](NC(=O)c1ccc(OCC2CC2)nc1)c1ccccn1 83884359 UZSCTFTUFDMJRR-INIZCTEOSA-N 341.367 1.910 0 40 EDAB Cc1nnc(CN(C)[C@@H]2CCN(CCOc3ccccc3)C2)n1C 89736001 NIKMYYNQLNXRCY-MRXNPFEDSA-N 329.448 1.709 0 40 EDAB CC[C@H](OC)C(=O)Nc1ccc(Br)cc1-c1nn[nH]n1 585128773 NEBAURRBBXCFKT-JTQLQIEISA-N 340.181 1.993 0 40 EDAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)C12CNC2 1549174755 QEYYJSQGUQSOHG-MRXNPFEDSA-N 327.428 1.599 0 40 EDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccccc2)nn1 1549161934 QYJDULCYRWCQHN-ZMSDIMECSA-N 330.432 1.494 0 40 EDAB Cn1cc(C2=CCCN(CC[C@H](C(F)F)N3CCOCC3)C2)cn1 1615588945 UZFKBSPPSODCEY-MRXNPFEDSA-N 340.418 1.865 0 40 EDAB COc1ccc2ncc(NC(=O)N3CCC[C@@H](C(N)=O)C3)c(O)c2n1 12222663 AFPKZADDRSUSMS-SECBINFHSA-N 345.359 1.073 0 40 EDAB Cn1c(=O)c2cc(C(=O)Nc3ccccc3F)sc2n(C)c1=O 12422746 HDZOHWHSWLZZLX-UHFFFAOYSA-N 333.344 1.690 0 40 EDAB C[C@@]1(CNc2nc(CCCN3CCCC3=O)cc(=O)[nH]2)CCCO1 19461243 FOZXAHFMCRXXDT-KRWDZBQOSA-N 334.420 1.306 0 40 EDAB CCC(=O)NCCc1cc(N2CCN(C(C)=O)CC2)nc(C2CC2)n1 19499290 KRXNNHBILKNRQY-UHFFFAOYSA-N 345.447 1.091 0 40 EDAB Cc1nonc1CN(C)C(=O)c1cnc(N2CCC[C@H](C)C2)nc1 19559141 RHHCMCOTRPPHBZ-NSHDSACASA-N 330.392 1.677 0 40 EDAB Cc1ccc2nc(SCC(=O)N3CCC(C)CC3)nc(=O)n2c1 4499813 SJYVNEXZBVGIOL-UHFFFAOYSA-N 332.429 1.749 0 40 EDAB CC(C)CCNC(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5201492 OZPSTMCHWXRHOF-CYBMUJFWSA-N 347.415 1.908 0 40 EDAB CC[C@](C)(O)CNC(=O)c1cnn2c(-c3cccnc3)ccnc12 585132176 QEABAAURNOCRQF-KRWDZBQOSA-N 325.372 1.682 0 40 EDAB CN(C[C@H]1CCCN1C(=O)c1cnn[nH]1)C(=O)C12CCC(CC1)C2 1002674088 DQQWTVFVYGBMIO-UIORMTCPSA-N 331.420 1.448 0 40 EDAB Cc1nc(CN2CCN(c3cc(C4CCOCC4)ncn3)CC2)no1 1888843770 KNXBVVNTQJFPLY-UHFFFAOYSA-N 344.419 1.384 0 40 EDAB COc1nccnc1N(C)CC1CCN(Cc2nnc(C)o2)CC1 1888847455 GZPUKTSKBVWMJO-UHFFFAOYSA-N 332.408 1.525 0 40 EDAB Cc1cc(N2CCN(c3nccnc3C)CC2)nc(N2CCCC2)n1 1889078128 LDSZHJOPIBWYCG-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB CC(C)CN1CCN(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC1 22918493 DBJFFLPZPICFQW-QGZVFWFLSA-N 344.459 1.381 0 40 EDAB O=S(=O)(c1cccc2nsnc12)N1CC[C@@H](c2ncon2)C1 238816774 BQMKPIDETNZACR-MRVPVSSYSA-N 337.386 1.253 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2c(OC)cc(=O)n3c2CCC3)C1 245131212 VJHCGUXJGHAMJH-LBPRGKRZSA-N 348.399 1.218 0 40 EDAB O=C1COC[C@]2(CCN(C3CCOCC3)C2)CN1c1ccccc1 2037985512 MGRWUQTXAPGAKD-IBGZPJMESA-N 330.428 1.921 0 40 EDAB Cc1ccc(C(=O)c2ccc(CC(=O)N3CCOCC3)n2C)cc1 2087047208 QWQLHNSQDSHMAI-UHFFFAOYSA-N 326.396 1.966 0 40 EDAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)Cc3ccc(F)cn3)C2)n1 1565549662 YJJORGFHVMBZGC-NILFDRSVSA-N 346.362 1.628 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccno3)o2)cc1 12234536 JXRAHYWLNYKBQF-UHFFFAOYSA-N 334.313 1.380 0 40 EDAB Cc1cccc(NC(=O)Cn2ncn3nc4c(c3c2=O)CCCC4)c1 17135370 LTFKBVBBXRYOBV-UHFFFAOYSA-N 337.383 1.717 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 52052850 PWNWZRUVGGEJCO-UHFFFAOYSA-N 346.452 1.876 0 40 EDAB COc1ncc(NS(=O)(=O)Cc2ccccc2F)c(OC)n1 585437361 VREQKSLHYJCRSR-UHFFFAOYSA-N 327.337 1.575 0 40 EDAB C[C@H](NC(=O)C(=O)NC[C@@](C)(O)c1ccccc1)c1ccccc1 70639747 KGRZVNYLOAXQJH-IFXJQAMLSA-N 326.396 1.888 0 40 EDAB CC(C)CN1C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)CC1=O 34915924 WDDPNRLEMNXXKP-HNNXBMFYSA-N 347.434 1.979 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCOc3ccccc32)C[C@@H](C)O1 40039914 BPITZLNOAVXRTQ-YRGRVCCFSA-N 326.418 1.454 0 40 EDAB CCOc1ccccc1N1C[C@@H](C(=O)N2CCN(C)CC2)CC1=O 50079531 MPRXADGBDUDSLM-AWEZNQCLSA-N 331.416 1.212 0 40 EDAB CC(=O)N[C@@]1([C@H](O)c2cccc(F)c2)C(=O)N(C)c2ccccc21 40266880 DSYJKWBIZGBCDJ-AEFFLSMTSA-N 328.343 1.867 0 40 EDAB Cc1ccc(C(=O)NC2CCN(C(=O)c3cnsn3)CC2)s1 50475388 QQWXXLVNNKKXBF-UHFFFAOYSA-N 336.442 1.943 0 40 EDAB COC(=O)c1cccc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)c1 31491104 SKFUCVXRAMNFFV-UHFFFAOYSA-N 339.355 1.709 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 40475547 RFTPZBOWALFNLL-UHFFFAOYSA-N 335.385 1.059 0 40 EDAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31605049 XUNNREZTCCFSNU-LLVKDONJSA-N 343.412 1.798 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1ccc(Cn2cccn2)o1 101178327 PZSRFTCCHLVPKL-APYUEPQZSA-N 343.383 1.842 0 40 EDAB COc1ccc([C@@H]2CC(O)=c3cc4c(cc3=N2)OCO4)cc1OC 101413364 TUAYNNDTIYVUSL-LBPRGKRZSA-N 327.336 1.863 0 40 EDAB COc1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1OC 32469328 PHURIWCMYZJIQP-GFCCVEGCSA-N 341.429 1.893 0 40 EDAB CC(=O)c1c[nH]c(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 52166778 ALZCSAFHUDPNNI-VIFPVBQESA-N 335.385 1.356 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(C(N)=O)CC1 32656126 UMNNTDMCIVFVSV-UHFFFAOYSA-N 338.429 1.206 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)C1 41128875 YCOHGWDMPQOYHK-GQOHGMTASA-N 328.290 1.932 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccoc2)n2ncnc2N[C@@]1(O)C(F)(F)F 103156634 XSVAACVPRQYBTK-SBMIAAHKSA-N 346.265 1.316 0 40 EDAB Cc1cc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)on1 53165886 AUVOJJDROQMLHQ-YVEFUNNKSA-N 346.387 1.367 0 40 EDAB N#Cc1cccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1 61115828 OOQDCALGEMERPW-UHFFFAOYSA-N 348.318 1.590 0 40 EDAB Nc1nonc1-c1nc2ccccc2n1CC(=O)NC1CCCC1 207947 PMSOMNNQJZCLEV-UHFFFAOYSA-N 326.360 1.727 0 40 EDAB aggregator Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)NCC(C)C)cc2)cn1 413179 FPQAOKWQGQNEHI-UHFFFAOYSA-N 348.428 1.972 0 40 EDAB CN1CCN(CCCNC(=O)c2cc(Cl)c3c(c2)OCO3)CC1 61524788 VSDNQLGODQAIJF-UHFFFAOYSA-N 339.823 1.436 0 40 EDAB O=C(NCc1cc(F)ccc1F)N1CCN(c2ncccn2)CC1 78519042 OBYXGLKDQBYFLA-UHFFFAOYSA-N 333.342 1.787 0 40 EDAB CN(C)Cc1ccc(CNC(=O)N2CCC[C@@H](CC(N)=O)C2)cc1 78973492 PGXCJMYEVWQKQT-INIZCTEOSA-N 332.448 1.545 0 40 EDAB COCCCS(=O)(=O)N1CCN(c2ccccc2OC)CC1 104104201 UAGDDOGCXGCZOZ-UHFFFAOYSA-N 328.434 1.184 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2cccc(CC)c2)C1 92843294 WLEMMBOAUWESIZ-OAHLLOKOSA-N 339.461 1.201 0 40 EDAB Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)c2cnn(C)c2n1 54042492 WWCYLUFJKNQJPZ-UHFFFAOYSA-N 336.399 1.634 0 40 EDAB COCC(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 42369628 HYMUVUFKZFOEFL-ZDUSSCGKSA-N 330.388 1.588 0 40 EDAB Cc1noc(C2CCN(C(=O)c3ccnc(-n4cncn4)c3)CC2)n1 54122949 WAVRHAVBHIJUBL-UHFFFAOYSA-N 339.359 1.374 0 40 EDAB O=C(CSc1nnc2[nH]c(=O)ccn12)N1CCc2ccccc21 4249779 LNSFHGYWOYVUAC-UHFFFAOYSA-N 327.369 1.099 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 25133972 ATPGZQNTYNDMFQ-ZDUSSCGKSA-N 329.360 1.078 0 40 EDAB C[C@@]1(NC(=O)CSc2ccc3c(c2)CCC3)CCS(=O)(=O)C1 7736688 UFRBQFVRYVTREF-MRXNPFEDSA-N 339.482 1.961 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cnc2ccccc2c1 23887481 RFECVSMNJKGETL-HNNXBMFYSA-N 333.413 1.987 0 40 EDAB Nc1nccnc1C(=O)NCc1ccc(OCC(F)(F)F)nc1 43090453 CRIHBRBJMKYOSK-UHFFFAOYSA-N 327.266 1.325 0 40 EDAB NC(=O)CC1CCN(C(=O)NCCc2ccc3c(c2)OCCO3)CC1 43080478 AHHNHHHNDQBTNF-UHFFFAOYSA-N 347.415 1.297 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24538945 YGUAKGYLOVDGBJ-YPMHNXCESA-N 332.356 1.063 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)Cn1c(=O)n(C)c2ccccc21 24728371 HVVUVUQQKQNHHT-LBPRGKRZSA-N 333.388 1.044 0 40 EDAB Cn1nc(C(=O)NCC2CCCC2)cc1OCC(=O)N1CCCC1 57355295 OLIQUWRIAXJAQS-UHFFFAOYSA-N 334.420 1.341 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 55942017 XWQYNNVMZDKHSL-UHFFFAOYSA-N 327.402 1.849 0 40 EDAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C1CCOCC1 25188072 RVAOPXQREUCVGO-UHFFFAOYSA-N 348.399 1.675 0 40 EDAB Cc1cc(NC(=O)NCc2cccnc2N2CCOCC2)n(C)n1 43433775 ZEVNSZLRWRWIGL-UHFFFAOYSA-N 330.392 1.282 0 40 EDAB C[C@H](O)CN1CCN(Cc2ccn(-c3cccc(F)c3)n2)C[C@@H]1C 106841016 JSKALXWWXDUSMD-GJZGRUSLSA-N 332.423 1.898 0 40 EDAB COC(=O)c1cccc(C(=O)N2CCC(N3CCNC3=O)CC2)c1 55786798 DCILGNFPBWIQOS-UHFFFAOYSA-N 331.372 1.103 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 71185257 HPZYGRQUAFAGBV-WPRPVWTQSA-N 326.194 1.897 0 40 EDAB CC[C@@H]1CN(Cc2cc(=O)n3cccc(C)c3n2)CCN1C[C@H](C)O 107351126 OJWJREXTYAITAR-DOTOQJQBSA-N 344.459 1.280 0 40 EDAB COc1ccc(OC)c2c1CN(CC(=O)NC1CCCC1)C[C@H]2O 26155411 CXHFXLMGJCBMMA-CQSZACIVSA-N 334.416 1.612 0 40 EDAB C[C@@H](CNC(=O)C1CCN(Cc2ccccc2)CC1)N1CCOCC1 57169268 TYKBUXFRJMJMLR-KRWDZBQOSA-N 345.487 1.736 0 40 EDAB COc1ccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc1 9140143 FCRBKIFBYKDWEV-UHFFFAOYSA-N 334.405 1.465 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N(Cc2ccccn2)C2CC2)C1 44403487 UOCRZUMWQVYSRG-CYBMUJFWSA-N 337.445 1.244 0 40 EDAB CCOC(=O)c1c[nH]c2nc(NCc3ccccc3OC)nn2c1=O 100641558 VPIOHQRDVGWBJU-UHFFFAOYSA-N 343.343 1.215 0 40 EDAB NC(=O)C(=CNC(=S)Nc1ccc(Cl)c(Cl)c1)C(N)=O 102915771 ALFOLAHKBDEAAU-UHFFFAOYSA-N 333.200 1.134 0 40 EDAB O=C(NC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCO1)[C@@H]1CCCO1 58268448 CMDYPCLBZNVEKR-ULQDDVLXSA-N 346.427 1.188 0 40 EDAB Cc1cccc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c1 58281834 WBAWXNHGMHZNGY-UHFFFAOYSA-N 331.397 1.737 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC1 58263874 JVYSJXUPCHCLRC-HZPDHXFCSA-N 336.457 1.720 0 40 EDAB C[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1nnc2n1CCC2 44934552 SLSJNSATDBTGEF-LLVKDONJSA-N 328.372 1.877 0 40 EDAB Cc1nc(NCC(=O)N2CCc3sccc3C2)c2cnn(C)c2n1 58343052 XSLJVSAZQWXBAT-UHFFFAOYSA-N 342.428 1.730 0 40 EDAB Cc1cc(C(=O)OCC(=O)N2CCN(c3ccccn3)CC2)c(C)o1 10554233 JLPZLWSRORCNOR-UHFFFAOYSA-N 343.383 1.797 0 40 EDAB C[C@H](SCC(=O)N(CCC(N)=O)c1ccc(F)cc1)C(=O)O 12796540 AYNUOVVVKLBOJW-VIFPVBQESA-N 328.365 1.240 0 40 EDAB CCN(C[C@@H]1CN(Cc2cnc(C)cn2)CCO1)c1cccnn1 84774670 VXKVVODLJFZIMD-INIZCTEOSA-N 328.420 1.302 0 40 EDAB Cc1cc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)ccc1O 62720409 AHESQFDUDJYVIQ-VIFPVBQESA-N 341.371 1.225 0 40 EDAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccon2)C1=O 11380376 ZJNWLNLFFCQVGQ-INIZCTEOSA-N 346.318 1.610 0 40 EDAB O=C([C@@H]1Cc2ccccc2CN1)N1CCC(N2CCCC2=O)CC1 95426502 VYKGINXOGLIVQQ-KRWDZBQOSA-N 327.428 1.314 0 40 EDAB C[C@H](CCc1ccco1)NC(=O)CN(C)c1ncnc2[nH]cnc12 45978662 OOIGYWVRSRUAEI-LLVKDONJSA-N 328.376 1.520 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(OCc2ccncc2)cc1 29793622 NIXVDLRITHNMHP-HNNXBMFYSA-N 346.408 1.578 0 40 EDAB CCn1c(SCC(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 3498955 PSLZVXBFBAITSP-UHFFFAOYSA-N 339.808 1.905 0 40 EDAB COCCN1CCCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 48428595 XZAWKDMRNUYXNN-UHFFFAOYSA-N 343.431 1.121 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCSCC1)C2=O 49214540 NRXBZKXUJTVKLO-NHYWBVRUSA-N 325.434 1.063 0 40 EDAB CN(C(=O)COC(=O)C=C1CCCCC1)[C@H]1CCS(=O)(=O)C1 64128814 QWCHEEMODHZHFU-ZDUSSCGKSA-N 329.418 1.066 0 40 EDAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2nccnc2N)cc1 5040404 KJPHSBJAICJNMW-SECBINFHSA-N 343.343 1.201 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)c2nnc3ccccn23)cc1 13735428 ARIBPFAIIURIBB-LLVKDONJSA-N 332.385 1.777 0 40 EDAB CC(C)(C)OC(=O)N1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 13987681 PISZJWIEFRPUKK-KBPBESRZSA-N 349.431 1.448 0 40 EDAB CN1CCc2ncnc(N(C)Cc3cnn(-c4ccccc4)n3)c2C1 65473893 NMJFAAAWBQCUFA-UHFFFAOYSA-N 335.415 1.682 0 40 EDAB COCCCCNC(=O)Nc1cccc(-n2nnnc2SC)c1 65536801 WRZKSHWSAIRKEL-UHFFFAOYSA-N 336.421 1.932 0 40 EDAB COc1ccccc1N1CC[C@@H](CNC(=O)NCc2nc(C)no2)C1 66193467 ZOTDYWOYHABWQD-ZDUSSCGKSA-N 345.403 1.712 0 40 EDAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)NC)nnc12 6609557 ZHMLDSQFUQIVGN-UHFFFAOYSA-N 331.401 1.292 0 40 EDAB CS(=O)(=O)c1cc(F)c(N2CCNCC2)cc1Br 19735960 AAAWDEUPFZPDLH-UHFFFAOYSA-N 337.214 1.401 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 5954036 RWVXLLDXUVKMSS-RYUDHWBXSA-N 328.434 1.764 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1OC 9458097 SASQQNXDUDBIGA-KRWDZBQOSA-N 347.371 1.363 0 40 EDAB CCOC(=O)[C@@H](N)CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 19830902 YWBAIGPKLVDRPY-NWDGAFQWSA-N 340.376 1.081 0 40 EDAB biogenic C[C@@H]1CN(CC2CCN(CCN3CCOC3=O)CC2)C[C@@H](C)O1 69016939 XGXQMMQUMVQWQY-HUUCEWRRSA-N 325.453 1.260 0 40 EDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(C(C)C)n(C)n1)CC2 96445377 ZYOCONXKESUMKX-HOTGVXAUSA-N 335.448 1.936 0 40 EDAB CC(=O)N1CCC(NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)CC1 95964416 DNUSEDJOTZEDMA-SFHVURJKSA-N 343.427 1.087 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CC(=O)N[C@H](C)c3ccco3)CC2)n1 69385955 CPKRFFYLCSOWBE-CHWSQXEVSA-N 347.419 1.527 0 40 EDAB CN1C[C@@H](C(=O)NCCOc2cccc(Br)c2)CC1=O 69349131 RWETZEAIUXZXSL-JTQLQIEISA-N 341.205 1.422 0 40 EDAB Cn1nc(CC(=O)OCC(=O)NC2CCCC2)c2ccccc2c1=O 8394435 YCOWULZIINVMNI-UHFFFAOYSA-N 343.383 1.078 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H]1CSc3ccccc3O1)C2 71864854 ZFKZFSAYQJRLGQ-LBPRGKRZSA-N 330.413 1.736 0 40 EDAB CC(C)c1nc2c(n1C)CCN([C@@H](C)C(=O)Nc1ncccn1)C2 69489439 YSEYFZKEZUBKMH-LBPRGKRZSA-N 328.420 1.719 0 40 EDAB C[C@@H]1CN(CCc2cccs2)CCN1c1ccc2nncn2n1 69458870 UXCUBESBRODERW-CYBMUJFWSA-N 328.445 1.939 0 40 EDAB CCOC(=O)N[C@H]1CCCN(C(=O)Cc2cn3cccc(C)c3n2)C1 69433759 WHPHQPHCNPAHJM-AWEZNQCLSA-N 344.415 1.922 0 40 EDAB O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC[C@H](O)C1 71897831 NWKPZHLCDXIVKE-SFHVURJKSA-N 331.460 1.572 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCCC[C@H]1Cn1cc(C)cn1 71866014 JHPGVHHOJHFQBT-AWEZNQCLSA-N 327.450 1.397 0 40 EDAB O=C([C@@H](N[C@H]1CCc2ncnn2C1)c1ccccc1)N1CCCCC1 69561461 FJLVGUZYFVPCOA-WMZOPIPTSA-N 339.443 1.936 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCCC[C@H]1Cc1ccc(F)cc1 69560757 ZJTVHLPWKCYRED-INIZCTEOSA-N 342.436 1.800 0 40 EDAB CC(C)n1cc(CN2CCCN(C(=O)c3cnccn3)CC2)cn1 71864798 BAXSHWIXDVPXKX-UHFFFAOYSA-N 328.420 1.602 0 40 EDAB CC(C)(C)n1cc(CN2CCN(C[C@H](O)Cn3cccn3)CC2)cn1 69652625 AZWFXCUWOCVOLO-KRWDZBQOSA-N 346.479 1.013 0 40 EDAB CCCc1ccc(S(=O)(=O)N2CCN(Cc3ncc[nH]3)CC2)cc1 71896939 QVDIZIGHQZKMAT-UHFFFAOYSA-N 348.472 1.869 0 40 EDAB CN(Cc1nc2cc(Cl)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 71810559 WQRIOOIBBWFJHZ-LLVKDONJSA-N 327.837 1.846 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)NCCOc1cccc(Cl)c1 69740458 XLQAKGBLKQUFFT-CYBMUJFWSA-N 349.822 1.031 0 40 EDAB CC(C)c1ccc(OCC(=O)NCCCN2CCN(C)CC2)cc1 61524894 ZUNLAFOTEHVSPZ-UHFFFAOYSA-N 333.476 1.943 0 40 EDAB Fc1cc(CN2CCO[C@H](Cn3cncn3)C2)c2ncccc2c1 69814192 ONLILKQURYBEPY-INIZCTEOSA-N 327.363 1.866 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2C 71911849 OBETVPPGDOUVHX-OAHLLOKOSA-N 344.415 1.680 0 40 EDAB CC(C)[C@@H](C)NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1 8735010 QRAMYEJQSNPHIP-GFCCVEGCSA-N 334.445 1.873 0 40 EDAB COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cccc2c1OCCO2 71908089 BMDLPKVFTQWYMK-CYBMUJFWSA-N 349.383 1.642 0 40 EDAB O=C(Nc1ccccc1)C1CCN(c2nc(O)c3cn[nH]c3n2)CC1 97097154 BWLPHFNCALVRJJ-UHFFFAOYSA-N 338.371 1.914 0 40 EDAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](n2cncn2)C1 72234708 VWCQGZANWZMATQ-MRXNPFEDSA-N 339.399 1.882 0 40 EDAB CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc3c(c1)OCCO3)CC2 97199069 NCCGESZROXMNKH-CYBMUJFWSA-N 342.399 1.918 0 40 EDAB CCN1CCN(C(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)CC1 113938934 PJNCOSWXDTZVQJ-UHFFFAOYSA-N 339.461 1.250 0 40 EDAB Cn1ncc(NC[C@@H](O)Cc2ccccc2)c(Br)c1=O 75137740 ZIKDTBCTJNTJPA-NSHDSACASA-N 338.205 1.558 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)c3ccc(=O)[nH]c3)cn2)C[C@H](C)O1 89936854 PFHLPIALIQCDSX-STQMWFEESA-N 342.399 1.314 0 40 EDAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 21870380 ZTRFNYXNBCPDIX-LBPRGKRZSA-N 329.422 1.218 0 40 EDAB NC(=O)CN1CCC[C@@H](Cc2ccc(Nc3ccccc3)nn2)C1 72387249 SYMMDRZVPVNHRI-AWEZNQCLSA-N 325.416 1.960 0 40 EDAB COc1ccc(CN2CCO[C@@H](CNC(C)=O)C2)c(Cl)c1OC 179718120 KRCKTLPUCLRCDD-ZDUSSCGKSA-N 342.823 1.694 0 40 EDAB Cn1nc2c(c1NC(=O)Cn1cnc3ccccc3c1=O)CSC2 61721260 QWFGUTQXEYJKRD-UHFFFAOYSA-N 341.396 1.516 0 40 EDAB CC(C)C[C@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 170612420 JMPKMGUKLHYPQY-JKJDWNRSSA-N 346.427 1.067 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@H](C)N(CCN(C)C)[C@H](C)C2)cc1 36075929 KPXHOLANEHQTMJ-IYBDPMFKSA-N 339.505 1.640 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(CC)CC)cc1 39986078 ZVULATSUPWTGBG-UHFFFAOYSA-N 328.434 1.574 0 40 EDAB COc1c[nH]c(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1=O 524733963 IZGULXFEGPUFML-UHFFFAOYSA-N 341.411 1.963 0 40 EDAB Cc1csc(N2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)n1 69627109 PHWXFVRIKKIQBZ-CABCVRRESA-N 341.477 1.130 0 40 EDAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)COC 217422115 JJWUEXURHCCLIP-NSHDSACASA-N 344.433 1.910 0 40 EDAB CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccnc(C)c2)CC1=O 79050001 DUPXHTQKKDPCOK-ZBFHGGJFSA-N 330.432 1.661 0 40 EDAB CC(C)(C)c1ccccc1OCCNC(=O)N1CCO[C@H](CO)C1 78961622 HWJRYTWYBPDYON-AWEZNQCLSA-N 336.432 1.766 0 40 EDAB C[C@H]1CN(C(=O)NCc2cccc(CN3CCOCC3)c2)CCO1 79022646 ATYXUNUFAYVWFH-HNNXBMFYSA-N 333.432 1.449 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccncc2)C1=O 42797881 SIWYFADHUHTRME-CQSZACIVSA-N 344.415 1.856 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCN(c2ccccn2)CC1 79483451 YWKLWGXDNKNSGR-AWEZNQCLSA-N 334.420 1.501 0 40 EDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCc1nccs1 79492122 NJQYFKIXOBOSGT-UHFFFAOYSA-N 334.449 1.829 0 40 EDAB CCN(CC)CCOc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 566453336 WDADMGADTQGLOA-ROUUACIJSA-N 349.475 1.154 0 40 EDAB CN(C)S(=O)(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165954 VUORTDQNNOZHSK-KGLIPLIRSA-N 341.433 1.942 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)NCCCOC(C)C)cc1 48234213 BKOWTGSRCVZYRC-UHFFFAOYSA-N 342.461 1.459 0 40 EDAB CC(=O)Nc1ccc(CNC(=O)c2cnc3sccn3c2=O)cc1 40488729 TWPBMFJWJTXSKR-UHFFFAOYSA-N 342.380 1.644 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 224495521 KLCAZUIDWSETAH-UHFFFAOYSA-N 340.401 1.379 0 40 EDAB Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)CCOCC(F)F 190308642 UEVDHGVQJKGGQG-HNNXBMFYSA-N 344.333 1.805 0 40 EDAB CN(C)c1cccc([C@@H]2CCCN2C(=O)NCCN2CCOCC2)c1 96410457 ZDKNGBCAHOEFAA-SFHVURJKSA-N 346.475 1.931 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)CCc2ccc(Cl)s2)C1 96408600 HRIKMOQGAPPNAC-SECBINFHSA-N 336.866 1.484 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)CCCn2cccc2)CC1 96484057 PHKQKUJCWMULMH-UHFFFAOYSA-N 327.450 1.056 0 40 EDAB C[C@@H]1CCCN(C(=O)CN[C@@](C)(C(N)=O)c2cccc(Cl)c2)C1 95432246 JLSBFWNLUHXLAI-SJKOYZFVSA-N 337.851 1.889 0 40 EDAB COc1cccc(CNC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)c1 339484844 QEZIVJHCBSBULC-UHFFFAOYSA-N 347.459 1.737 0 40 EDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCCc1cccc(F)c1F 95396785 MEHDAMFEDMISOD-LLVKDONJSA-N 348.415 1.972 0 40 EDAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@@H](Oc1ccccn1)CO2 96107017 HPGPOLVEEPGLCU-CQSZACIVSA-N 342.399 1.658 0 40 EDAB COC[C@@H](C)S(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 96410374 ZOMKMZJPSQUECJ-NVXWUHKLSA-N 340.489 1.853 0 40 EDAB Cc1nc(C)n(C[C@H]2CC[C@]3(COCCN(C(=O)CC4CC4)C3)O2)n1 96063523 HNXBAQUJVUJYGK-AEFFLSMTSA-N 348.447 1.472 0 40 EDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1ccoc1C 96086917 JUTNQPCCUCBVHZ-OAHLLOKOSA-N 330.388 1.976 0 40 EDAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@H]1C[C@@H]1C(=O)O 584907982 GTGUPWMXZWPTBT-HOTGVXAUSA-N 327.384 1.950 0 40 EDAB C[C@@H](CNS(=O)(=O)Cc1cccc(F)c1)CN1CCN(C)CC1 96428375 BAIASOZYUVBVNG-AWEZNQCLSA-N 343.468 1.129 0 40 EDAB O=C(Cn1cnc2c1CCCC2)N1CCC[C@H](CN2CCOCC2)C1 585080086 CFTHQSHQXXLFKH-MRXNPFEDSA-N 346.475 1.333 0 40 EDAB CC(C)n1cnc(S(=O)(=O)Nc2cc(Br)nn2C)c1 585085629 GCJYHMAUJCHXFJ-UHFFFAOYSA-N 348.226 1.761 0 40 EDAB COc1cccc(-n2cc(NS(=O)(=O)C[C@H](C)OC)nn2)c1 585129561 NSJJOIQEARBMNW-JTQLQIEISA-N 326.378 1.053 0 40 EDAB C[C@H](C(=O)N(C)C)[S@@](=O)c1nncn1CCc1cccs1 96452459 AZFQUFBTEPZKNQ-UZJPJQLHSA-N 326.447 1.167 0 40 EDAB CCOC[C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1c1cnn(C)c1 585655701 LESSIGRTANEEHT-RDJZCZTQSA-N 344.415 1.473 0 40 EDAB O=C(C1CC1)N1CCC[C@H](C(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@H]3C2)C1 245289858 FTBSGHCCYDCLDL-XLAORIBOSA-N 345.487 1.578 0 40 EDAB CNC(=O)[C@H]1CN(c2ccnc(C)n2)CCN1Cc1ccccc1 247967095 RAEKQYRDIRSWJG-MRXNPFEDSA-N 325.416 1.222 0 40 EDAB Cc1cc(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)c(C)n1C[C@H]1CCCO1 249689161 IZBVKXPGWYFINJ-HUYLIWGRSA-N 347.503 1.923 0 40 EDAB CN1CCC(Cc2ccccc2F)(C(=O)N2CCNC(=O)C2)CC1 257215171 CPAUZRVINWHYLT-UHFFFAOYSA-N 333.407 1.039 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2ccc3c(c2)OCO3)n1 257301612 RZDAXUDOVIDKPY-ZDUSSCGKSA-N 343.339 1.433 0 40 EDAB O=C(c1cnc(C2CC2)nc1)N1CCOC[C@H](Cc2ccncn2)C1 257344144 ZVYHXSCEQAPOQO-CYBMUJFWSA-N 339.399 1.475 0 40 EDAB Cc1cncc(C(=O)N2CCOC[C@H](Cc3cc(C)ncn3)C2)c1 257219666 DHPSGIDPHVCUIE-OAHLLOKOSA-N 326.400 1.820 0 40 EDAB NC(=O)c1sc2nccnc2c1[C@H]1CCN(c2ncccn2)C1 257260289 LCENCFWYCWGTBP-VIFPVBQESA-N 326.385 1.574 0 40 EDAB O=C(c1cncs1)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257247947 JBGCIGXVVGTVEY-STQMWFEESA-N 329.381 1.400 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)N[C@@H]3CCCOC3)CC2)c1 264396958 ODAWHLBBFHBRHN-OAHLLOKOSA-N 347.415 1.342 0 40 EDAB CC(C)NC(=O)C(F)(F)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1615585556 CKAYYXCIGSSKAE-UHFFFAOYSA-N 336.379 1.908 0 40 EDAB O=C(NCc1cnccn1)N[C@@H]1CCCN(Cc2ccccc2)C1 1615614969 LHBRKNFTDVWUNG-MRXNPFEDSA-N 325.416 1.940 0 40 EDAB Brc1ccccc1Cc1nnnn1C[C@H]1COCCO1 1616033209 MNLOKXISUMMPLK-NSHDSACASA-N 339.193 1.442 0 40 EDAB CC1(C)CN(C[C@H](O)COc2ccc(C(=O)O)cc2)[C@H]2COC[C@H]21 1616031802 TXCFFILMQNLMJY-IMJJTQAJSA-N 335.400 1.481 0 40 EDAB Cc1ccccc1C(C)(C)Cn1nnnc1N1CCC(C(N)=O)CC1 1616033611 RDYVAXGRCRKRKL-UHFFFAOYSA-N 342.447 1.661 0 40 EDAB COC(=O)C[C@@H](NC(=O)c1cc2sccc2s1)C(=O)OC 604228346 FWFDINAXEFUJJC-SSDOTTSWSA-N 327.383 1.797 0 40 EDAB COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)Cn1cnnn1 390835738 WPAOOHOPHGEMCG-UHFFFAOYSA-N 330.131 1.405 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC(=O)Nc3cccnc32)cn1 390835577 REKZMEIOWDIFFM-UHFFFAOYSA-N 334.357 1.023 0 40 EDAB O=C([C@H]1[C@H]2COC[C@H]21)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 585108545 CAZAPUXTCHYADK-HTPGKPQGSA-N 344.411 1.249 0 40 EDAB O=C(/C=C/c1cnc[nH]1)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 585292064 WQUOYEPSLUOCHQ-QJGZVHSTSA-N 328.372 1.295 0 40 EDAB CN(C)C(=O)[C@H]1COC2(CCN(C(=O)Cc3ccc(F)cn3)CC2)C1 585101169 KXSRUJASXOKRFU-CYBMUJFWSA-N 349.406 1.249 0 40 EDAB CO[C@@H]1CN(C(=O)Cn2cncn2)C[C@]12C[C@H](c1ccccc1)CO2 585288394 ZJDIBDYCJBGRGE-LZLYRXPVSA-N 342.399 1.078 0 40 EDAB COc1cc(NCCCNS(=O)(=O)Cc2ccccc2)ncn1 585142157 QIWXESZTFNMOQM-UHFFFAOYSA-N 336.417 1.407 0 40 EDAB CO[C@@]1(COc2ccccc2)COCCN(C(=O)c2ncccn2)C1 585269556 YRYAEJNOSYLLLU-GOSISDBHSA-N 343.383 1.413 0 40 EDAB CCc1csc(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)n1 69775033 ZKLSKQXTHBVCFG-UHFFFAOYSA-N 331.401 1.840 0 40 EDAB Cc1ncc2c(n1)CN(Cc1cc(=O)n3c(C)csc3n1)CC2 69454181 ZYXBBSIBUPNCOC-UHFFFAOYSA-N 327.413 1.721 0 40 EDAB COc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1OC(F)F 29720769 KYCPMDHNDOIMII-MRVPVSSYSA-N 329.303 1.649 0 40 EDAB CCc1nc(CN2CCN(C(=O)COc3cccc(C)c3)CC2)no1 69808985 PCMFXPLUYPVMGZ-UHFFFAOYSA-N 344.415 1.664 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)C5CC=CC5)C[C@H]4C3)ncnc21 1065984102 VWIHEXINHVHXTQ-OKILXGFUSA-N 338.415 1.224 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CSC(=O)N1 73945706 LOESERAYIVARMV-HIFRSBDPSA-N 348.472 1.138 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@@H](CC(N)=O)C2)cc1Cl 80795796 NOQLHDWLWNPWFF-JTQLQIEISA-N 346.836 1.625 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3Cc4ccccc4S3)CCO2)n1 76045187 LSHZURFBYWNERY-JSGCOSHPSA-N 330.413 1.730 0 40 EDAB CCN(CC)C(=O)[C@H](c1ccccc1)S(=O)(=O)c1nncn1C 40539984 JMRZYGXPZPSEIC-ZDUSSCGKSA-N 336.417 1.199 0 40 EDAB COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1 78564834 LLLFRPVVKJNVLW-OAHLLOKOSA-N 346.431 1.466 0 40 EDAB CCc1nc(NC(=O)CN2CCn3c(nnc3C3CC3)C2)sc1C 78788086 JRGSXIOPXZLPBD-UHFFFAOYSA-N 346.460 1.937 0 40 EDAB C[C@@H]1CN(c2ccccc2CNC2CCN(C(N)=O)CC2)C[C@@H](C)O1 88722280 NWLPQTAUJJMZRY-HUUCEWRRSA-N 346.475 1.933 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)ccc1-n1cncn1 514940499 QBUFBSHQWJMBAJ-CQSZACIVSA-N 341.415 1.705 0 40 EDAB O=C(NCCc1nnc(S)n1C1CC1)[C@H]1C[C@H]1c1cccnc1 109059652 MRPLSZGVQXMNPX-STQMWFEESA-N 329.429 1.759 0 40 EDAB Cc1ccccc1S(=O)(=O)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549162054 MMNHHVZNHYWFOC-UHFFFAOYSA-N 336.413 1.312 0 40 EDAB COc1cc(N2CCOCC2)ccc1/C=C(\C#N)C(=O)NC1CC1 5879751 SFPMUUKRMCOHFE-GXDHUFHOSA-N 327.384 1.717 0 40 EDAB CC(C)N1CCC[C@@H](CNC(=O)c2cnc(N3CCOCC3)nc2)C1 12199440 RMIWHEDFEXMGLS-HNNXBMFYSA-N 347.463 1.163 0 40 EDAB CCN1CCC[C@H](Sc2nc3c([nH]2)c(=S)n(C)c(=O)n3C)C1 13597334 APLDNAXBEDLBDA-VIFPVBQESA-N 339.490 1.906 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccc(Cl)cc3)N2N1 14607177 QKRCYTWDPJFGMR-LLVKDONJSA-N 333.779 1.595 0 40 EDAB COCCn1nnnc1[C@H](C(C)C)N1CCN(C2CCCC2)CC1 19446013 AGSOBQVZGWFWEQ-INIZCTEOSA-N 336.484 1.577 0 40 EDAB CCCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 169294787 NMYINRCYJSZHED-XGUBFFRZSA-N 345.351 1.846 0 40 EDAB CN(CC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O)C(=O)c1nc[nH]n1 643586245 OJQUOWVVCCBUNX-KCPJHIHWSA-N 348.378 1.624 0 40 EDAB O=C([C@H]1CN(c2ncc(Cl)cc2F)CCO1)N1CCSCC1 1888834184 FQCDHOXPBVFRHY-GFCCVEGCSA-N 345.827 1.655 0 40 EDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)CC(C)(C)C)C[C@H]4C3)ncnc21 1888854176 FOUOYOYJZROLEC-STQMWFEESA-N 342.447 1.694 0 40 EDAB CC(C)c1nccc(N2CCN(c3nccc(N(C)C)n3)CC2)n1 1889090947 SYJAQKJJZXIVTR-UHFFFAOYSA-N 327.436 1.783 0 40 EDAB COc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cn1 19173879 PCIBHYYQEDBDTO-UHFFFAOYSA-N 335.385 1.309 0 40 EDAB CN(C1(CO)CC1)S(=O)(=O)c1ccc(Br)c(F)c1 296272129 YSWJMNBQVROIIN-UHFFFAOYSA-N 338.198 1.734 0 40 EDAB CC1CC(C(=O)N2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)C1 1565551364 CWYHULYEGAJPKU-UHFFFAOYSA-N 330.432 1.577 0 40 EDAB COC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 35086 RVIXSTOCZOWLHO-UHFFFAOYSA-N 340.357 1.384 0 40 EDAB CC[C@@H](C)[C@@H]1N=C2c3ccccc3N=C(SCC(N)=O)N2C1=O 424869 MLGIVKCHZUKEFG-RNCFNFMXSA-N 330.413 1.910 0 40 EDAB CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccccc3)cnc21 4034987 ARDBTQKGFYXLIS-UHFFFAOYSA-N 339.399 1.664 0 40 EDAB Cc1ccc(O)c(NC(=O)C[C@H](NCc2cccnc2)C(=O)O)c1 4330016 ZMCIRVOMIHZABL-AWEZNQCLSA-N 329.356 1.667 0 40 EDAB CNC(=O)c1ccsc1NC(=O)c1cccc(S(C)(=O)=O)c1 4517944 PUGXXJMKHSLUQP-UHFFFAOYSA-N 338.410 1.764 0 40 EDAB CCCS(=O)(=O)N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055738682 JZWJWYATLJIYQQ-LLVKDONJSA-N 341.433 1.097 0 40 EDAB Cc1nc(C(=O)N2CC[C@H]3OCC[C@@]3(C(=O)N3CCCC3)C2)cs1 2055781595 RROFKLGWZGBVAR-RHSMWYFYSA-N 349.456 1.695 0 40 EDAB COC[C@](O)(CNC(=O)c1ccc2nsnc2c1)c1ccccc1 575608768 YKPMDMQDPMVNFB-QGZVFWFLSA-N 343.408 1.955 0 40 EDAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 5234522 PBTKNYLVBXDIMG-RYUDHWBXSA-N 337.445 1.829 0 40 EDAB CC(C)NC(=O)Cn1cc(OCc2ccccc2F)c(=O)cc1CO 12231007 UTBCYYGKIRLENN-UHFFFAOYSA-N 348.374 1.583 0 40 EDAB O=C(C[C@H](C(=O)O)[C@H]1CCCO1)NCCc1ccc2c(c1)OCO2 2291004 LYCIEYFODKZDIE-QWHCGFSZSA-N 335.356 1.344 0 40 EDAB biogenic COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1N2C(=O)O 100145023 PNJFEOGCMIEFTL-YIYPIFLZSA-N 333.340 1.916 0 40 EDAB biogenic COc1ccc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)cn1 40479750 IMTDBBPVJMUVLF-LLVKDONJSA-N 327.340 1.843 0 40 EDAB CC(=O)N1CCN(C(=O)c2c[nH]c3cc(Cl)ccc3c2=O)CC1 31812927 GHEDTFOHLXVDAF-UHFFFAOYSA-N 333.775 1.486 0 40 EDAB CC(C)c1noc(CCC(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)n1 40514112 VWJJSPLBHRVAHU-MELADBBJSA-N 338.452 1.740 0 40 EDAB COc1ccc(CNC(=O)C[C@@H](C)NC(=O)c2ccccc2)cn1 32882616 UECKHNXZAKDDCT-CYBMUJFWSA-N 327.384 1.915 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 32865608 YAOZGZCDAOQKQP-MRXNPFEDSA-N 326.400 1.018 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 32910771 OMJFHFLKMDAVMQ-LZWOXQAQSA-N 343.427 1.939 0 40 EDAB O=C(c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCOCC1 103527279 BPVCJGBAXLLFDW-HZPDHXFCSA-N 340.379 1.615 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCn3ccnc3)CC2=O)cc1F 41904594 XDKRAFQUQAGPFB-CYBMUJFWSA-N 330.363 1.500 0 40 EDAB CCOC(=O)C1=C(CN2CCC[C@@H]2c2cc(C)no2)NC(=O)NC1 47273518 MQKZYQMWUSHPCU-CYBMUJFWSA-N 334.376 1.250 0 40 EDAB CNC(=O)CNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 47428257 NMKAEDHUNSHBOP-UHFFFAOYSA-N 326.400 1.752 0 40 EDAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 1368237 CEXOQWBZFCXFKK-PHIMTYICSA-N 332.447 1.286 0 40 EDAB CCOC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cccnc1O2 79490957 IFHGJEYNHRYZLO-UHFFFAOYSA-N 341.323 1.966 0 40 EDAB Cc1c(CC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2cc(O)ccc12 4063183 CPZIOEIUVQXNOW-HNNXBMFYSA-N 333.340 1.575 0 40 EDAB biogenic Cn1c(Cl)cnc1CN1CCN(c2ncnc3c2cnn3C)CC1 23661828 BQFGIZPZYVOMGO-UHFFFAOYSA-N 346.826 1.072 0 40 EDAB CCCN1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 4355771 NNQVKTYGEHCQRH-UHFFFAOYSA-N 337.431 1.802 0 40 EDAB COc1cc(C)nc(N2CCC[C@@H](C(=O)NC[C@@H]3CCCO3)C2)n1 4967443 HVLBZKZPUGAUQC-KGLIPLIRSA-N 334.420 1.305 0 40 EDAB CCN(CC)C(=O)CCNC(=O)[C@H]1COc2cc(OC)ccc2C1 71185485 AWANPNSYXHTBES-CQSZACIVSA-N 334.416 1.621 0 40 EDAB Cc1cnn(C2CN(CC(=O)NCc3ccc4c(c3)OCO4)C2)c1 72253838 QXKBAPBXQGILHJ-UHFFFAOYSA-N 328.372 1.093 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)c1ccc2nc(C)c(C)nc2c1 6590451 TYUSMUONGSKVHV-UHFFFAOYSA-N 344.371 1.639 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@]2(CC1)CCN(CC1CCC1)C2=O 108531661 RQGROEQMRYTUGP-SFHVURJKSA-N 335.448 1.154 0 40 EDAB COc1cccc([C@@H](NC(=O)Cn2cc(C)cn2)c2nccn2C)c1 55075954 XSTDXXVLMOJFBN-QGZVFWFLSA-N 339.399 1.839 0 40 EDAB CC(C)N1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 106155693 GKBCGAXLEBQRSO-CVEARBPZSA-N 329.444 1.886 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)CCc3cnn(C)c3)CC2)cc1 55363918 RDBVWKHIGJFMKB-UHFFFAOYSA-N 340.427 1.646 0 40 EDAB O=C1CN(C2CCCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 55408774 RGXZDZTXWBDTMP-DLBZAZTESA-N 348.468 1.834 0 40 EDAB CC(=O)c1cc(CCC(=O)N2CCN(c3cnccn3)CC2)oc1C 25343205 CWGBFTNLWKOXJN-UHFFFAOYSA-N 342.399 1.862 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)CN2CCCCCC2=O)c(C)nn1C 72234269 PNJDIKVXWSSASB-AWEZNQCLSA-N 348.447 1.803 0 40 EDAB O=C(CNC(=O)NCc1ccco1)NCCOc1ccc(F)cc1 56872396 QIKNMGNKAVUJKL-UHFFFAOYSA-N 335.335 1.413 0 40 EDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269315 XRIXBJURQSLWEH-GJZGRUSLSA-N 330.388 1.341 0 40 EDAB CN1CC[C@@H](C(=O)N2CCN(Cc3ccccc3F)CC2)CC1=O 44265950 CKYXODKQBYHHLD-CQSZACIVSA-N 333.407 1.338 0 40 EDAB CN(Cc1cnn(C)c1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 72234657 LGOTWPMUBJBIFD-OAHLLOKOSA-N 330.436 1.777 0 40 EDAB O=C(NCCc1n[nH]c(=O)[nH]1)c1c(F)cc(Br)cc1F 87428256 CTDVSKLJOUKEBO-UHFFFAOYSA-N 347.119 1.111 0 40 EDAB CCOC(=O)CSc1nc(N)c2c(C)c(C(=O)O)sc2n1 35682012 WCCIGGVNXHQXGX-UHFFFAOYSA-N 327.387 1.935 0 40 EDAB CCC(CC)[C@H](CNc1ncnc2c1cnn2C)N1CCOCC1 12730202 XCYZEHQSQPJWIH-HNNXBMFYSA-N 332.452 1.912 0 40 EDAB COc1cc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc(OC)c1 12792524 CAMXUBVIVNIJLZ-CYBMUJFWSA-N 328.390 1.066 0 40 EDAB COc1ccccc1SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 58278762 WGUGQXRQNKLHEU-LLVKDONJSA-N 329.443 1.433 0 40 EDAB C[C@H](C(=O)NCc1cccnc1OCC(F)(F)F)n1cncn1 44912861 LWHRWSFHMQLXLR-SECBINFHSA-N 329.282 1.492 0 40 EDAB Cc1cc(=O)c(C(=O)N2CCOC[C@@H]2C)nn1-c1ccccc1F 44912525 HRTKUCGGJZJPRY-LBPRGKRZSA-N 331.347 1.541 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCC(CC(N)=O)CC1 44953998 OOWQIUGSOCYCCZ-STQMWFEESA-N 335.452 1.769 0 40 EDAB C[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)c1ccncc1 58314325 NBWWQCQZIVZMTO-NSHDSACASA-N 330.373 1.097 0 40 EDAB O[C@@H](COc1ccc(Cl)cc1)Cn1nnc(-c2cccnc2)n1 58370435 UILIMVRKLIZFGU-CYBMUJFWSA-N 331.763 1.828 0 40 EDAB C[C@H](NC(=O)Cn1cc(Br)ccc1=O)[C@H]1CCCO1 27907955 VAUMYJZHMVTSGH-GXSJLCMTSA-N 329.194 1.295 0 40 EDAB CCN(CC)c1ccc(C(=O)OCC(=O)NC(=O)NC(C)C)cc1 3396378 QJDKKIDZEBSQLI-UHFFFAOYSA-N 335.404 1.924 0 40 EDAB CCCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 36383934 FGCICVIPJLPMSP-UHFFFAOYSA-N 337.445 1.288 0 40 EDAB Cn1nccc1CN1CC[C@@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 108532412 JKNAKLIRSQFAMZ-HOTGVXAUSA-N 346.456 1.597 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NCCCOc1ccccc1 11085658 FQSIHQCWSOICTE-UHFFFAOYSA-N 337.379 1.982 0 40 EDAB O=c1ccnc2sc(NCCN3CCc4ccccc4C3)nn12 48333788 CBUWGXCYONUUGO-UHFFFAOYSA-N 327.413 1.621 0 40 EDAB CNC(=O)NC(=O)CSc1nnc(Cc2ccccc2C)c(O)n1 36646247 MOFMTLCJJVGOEZ-UHFFFAOYSA-N 347.400 1.024 0 40 EDAB Cn1cc(CNCC(=O)NCc2ccco2)c(-c2ccncc2)n1 97159873 FWPHKLCLIRTJKT-UHFFFAOYSA-N 325.372 1.481 0 40 EDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@@H](C)C2)c1 11503778 KVPMOYKGJVYFHP-VIFPVBQESA-N 332.809 1.109 0 40 EDAB CC(C)(C)n1nnnc1SCCS(=O)(=O)c1ccccc1 29798551 JHICQEGHKUGPNZ-UHFFFAOYSA-N 326.447 1.994 0 40 EDAB Cc1nn(CC(=O)N(C)Cc2cnn(C)c2C)cc1Br 2778079 ADZIMBCPXHJQHU-UHFFFAOYSA-N 340.225 1.655 0 40 EDAB C[C@H](OC(=O)[C@@H]1CCCS1)C(=O)NC(=O)NC1CCCCC1 72312541 OSZVNVKITRTUQX-JQWIXIFHSA-N 328.434 1.972 0 40 EDAB CC(C)Cc1nnc([C@H](C)N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)o1 84575244 FBUFXFXHFOMPIK-YVEFUNNKSA-N 349.435 1.734 0 40 EDAB O=C(CN1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1)N1CCCC1 306128435 HAHDKQPVWUMAGX-ARFHVFGLSA-N 330.432 1.063 0 40 EDAB CN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)Cc1ccccc1Cl 13002024 UVQHKDZMXAAHLX-OAHLLOKOSA-N 344.864 1.465 0 40 EDAB FC(F)(F)c1nnc2ccc(Sc3nnnn3C3CC3)nn12 13105302 AJFCGNXBDMFNIT-UHFFFAOYSA-N 328.283 1.616 0 40 EDAB Nc1nc(N)nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 9112004 OTLSRQPISADJJW-LLVKDONJSA-N 328.376 1.144 0 40 EDAB CNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 64389290 PCPCGEYGUBIILX-HOTGVXAUSA-N 349.862 1.770 0 40 EDAB CCOC(=O)c1cn(CC(=O)Nc2ccc(OC)c(Cl)c2)nn1 5026082 HIRREAWYRDDYQA-UHFFFAOYSA-N 338.751 1.756 0 40 EDAB COC(=O)Cc1c(C)c2ccc(OCc3nn[nH]n3)c(C)c2oc1=O 6130728 QJEVNXFZDAPKHU-UHFFFAOYSA-N 344.327 1.217 0 40 EDAB CS(=O)(=O)NCCCNC(=O)N1CCC[C@H]1Cc1ccccc1 65402413 UCYKLKKBYPEXRX-HNNXBMFYSA-N 339.461 1.342 0 40 EDAB Cc1[nH]c2ncnn2c(=O)c1CCOC(=O)c1cc(CC(C)C)n[nH]1 96013331 MGLFTBMCBPTRIF-UHFFFAOYSA-N 344.375 1.047 0 40 EDAB CN(Cc1cnccn1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 96007677 NJWGBGLCNXNLGY-UHFFFAOYSA-N 332.307 1.711 0 40 EDAB COCCCNC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O 5345636 CULIMEDAVGMPIX-UHFFFAOYSA-N 349.383 1.814 0 40 EDAB Cc1ccc(C)c(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 14193109 CQMDVSWRAIYSIF-KRWDZBQOSA-N 345.443 1.565 0 40 EDAB CC(C)NC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 14189096 UJWYAPJKYMGHHF-UHFFFAOYSA-N 325.434 1.252 0 40 EDAB COc1ccccc1C(=O)CN1C(=O)COc2ccccc2C1=O 6755332 IRUHYNQIFUOHLI-UHFFFAOYSA-N 325.320 1.939 0 40 EDAB COc1cccc(OC)c1OCCOCCNC[C@@H]1CCCO1 4827247 DISBEBBZWMXSNF-AWEZNQCLSA-N 325.405 1.868 0 40 EDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(O)c(Cl)c1 6993191 IBOCLJQUIPHMCG-UHFFFAOYSA-N 337.763 1.945 0 40 EDAB Cc1c(Cl)cccc1NCCn1cnc2c1c(=O)n(C)c(=O)n2C 9318020 ZDLRVXPINGQZNA-UHFFFAOYSA-N 347.806 1.508 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(Cl)cn1 80296864 CFBWZESZZHLIRJ-AWEZNQCLSA-N 344.802 1.586 0 40 EDAB Cc1cc(C)n2nc(CC(=O)NC[C@H](C)N3CCC[C@H](C)C3)nc2n1 68084352 XSLIXYLLQISCSW-WFASDCNBSA-N 344.463 1.520 0 40 EDAB CN(CC(=O)Nc1cccnc1)[C@H]1CCCN(c2cccnn2)C1 70037063 KLFGOUNQUIKNEW-HNNXBMFYSA-N 326.404 1.411 0 40 EDAB O=C(NCCCNC(=O)[C@@H]1Cc2ccccc2O1)c1cccs1 69348854 QHQIKLLVESNICO-AWEZNQCLSA-N 330.409 1.988 0 40 EDAB COc1ccc(NC(=O)[C@H](C)n2c(=O)[nH]c3ccccc3c2=O)cc1 17044214 CRWNVJITMAJAAC-NSHDSACASA-N 339.351 1.898 0 40 EDAB CCc1noc([C@H](C)N2CCN(c3ncnc4c3CCC4)CC2)n1 69442817 RZKQWGZNMQLEPB-LBPRGKRZSA-N 328.420 1.794 0 40 EDAB CC(=O)N1CCC(NC(=O)Cn2ccc(-c3ccc(F)cc3)n2)CC1 69593386 UZDKFPBXSNWUJW-UHFFFAOYSA-N 344.390 1.816 0 40 EDAB O=S(=O)(c1cccc(F)c1F)N1CCN(c2ccncc2)CC1 69595238 CIBNATRHZODERG-UHFFFAOYSA-N 339.367 1.871 0 40 EDAB O=C(CNC(=O)NC1CCN(CC(F)F)CC1)NC1CCCCC1 69584021 XABIVZBAPZLFEB-UHFFFAOYSA-N 346.422 1.464 0 40 EDAB O=C(CNC(=O)NCc1ccco1)NCCCOc1ccc(F)cc1 69536982 BNBLVCZIPZHFJK-UHFFFAOYSA-N 349.362 1.803 0 40 EDAB CN1CCN(CCOc2ccccc2NC(=O)COCC2CC2)CC1 69666800 NOYDCFDAAIQNNE-UHFFFAOYSA-N 347.459 1.678 0 40 EDAB NC(=O)[C@H]1c2ccccc2CCN1Cc1nc2ccccc2c(=O)[nH]1 69705158 VMNABWXTIWIFOG-QGZVFWFLSA-N 334.379 1.508 0 40 EDAB Cc1csc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CC2)n1 71841356 ARZGEAVOXRDYHL-ZIAGYGMSSA-N 331.445 1.637 0 40 EDAB CCCn1nnnc1CN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 71893629 QOKOYFINGHAUJD-CQSZACIVSA-N 348.838 1.974 0 40 EDAB Cc1ccc(CN(C)C(=O)CN[C@H]2CCCN(c3cccnn3)C2)o1 69872369 FXULQTPZASLGQK-HNNXBMFYSA-N 343.431 1.595 0 40 EDAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC[C@H]1CCOC1 69896659 QYUNSTFJXCQTLA-SNVBAGLBSA-N 330.306 1.588 0 40 EDAB CN1CCN(CCCN(C)S(=O)(=O)c2ccc(F)c(F)c2)CC1 69971837 XFMJVSQOQJCUCI-UHFFFAOYSA-N 347.431 1.223 0 40 EDAB COc1ccsc1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 69922773 YKFBMHYYRYHUTB-ZDUSSCGKSA-N 326.462 1.922 0 40 EDAB COc1ccc(-c2nc3nc(C)c(CCO)c(O)n3n2)cc1OC 18222076 RLQJZIGWLOYWMK-UHFFFAOYSA-N 330.344 1.357 0 40 EDAB O=C([C@@H](O)c1ccc(Br)cc1)N1CCc2[nH]ncc2C1 95450180 QYWRHLQTAQAOLV-ZDUSSCGKSA-N 336.189 1.791 0 40 EDAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2cc(C)on2)c1 97046196 ICKUCZJIXHXBNS-UHFFFAOYSA-N 325.328 1.828 0 40 EDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N1CCN(Cc2ccccn2)CC1 97096557 DEHVXHIQZUXYGN-ZACQAIPSSA-N 344.459 1.722 0 40 EDAB O=C(NCCCOCC(F)(F)F)c1n[nH]c(=O)c2ccccc12 73504729 ZSSHINVJWZGDMT-UHFFFAOYSA-N 329.278 1.622 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCCO)c1 98066929 JDTMDKCPPHRFEY-UHFFFAOYSA-N 340.445 1.362 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H]1CCS(=O)(=O)C1 95958706 CNCKIXSXAJEYDH-ZBFHGGJFSA-N 348.424 1.254 0 40 EDAB O=S1(=O)CC[C@@H](N2CCN([C@@H]3CCc4c(F)cccc43)CC2)C1 95992423 LQYKECMLVYFGPK-CXAGYDPISA-N 338.448 1.618 0 40 EDAB C[S@](=O)c1ncn(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)n1 95974844 ZMDKNRAWUASWGR-KPWVOAKYSA-N 333.335 1.638 0 40 EDAB C[C@H](NCC(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(Cl)c1 95984592 PQFZGZMVSUUFEN-CMPLNLGQSA-N 341.814 1.854 0 40 EDAB CCCNC(=O)CNC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 95989153 FPDOZNPGVVWWAD-UHFFFAOYSA-N 333.367 1.968 0 40 EDAB COC(=O)[C@@H](C)[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1ccccc1 89143317 PAUBCZAALFZTGZ-YVEFUNNKSA-N 340.383 1.663 0 40 EDAB CCc1n[nH]c([C@H]2CN(CC(=O)NCCc3ccsc3)CCO2)n1 89289821 LOILFUGKDMNTFA-CYBMUJFWSA-N 349.460 1.161 0 40 EDAB Cc1c(Br)cccc1C(=O)NCCCc1n[nH]c(=O)[nH]1 75093038 LXRXBYLJUFNFJA-UHFFFAOYSA-N 339.193 1.532 0 40 EDAB CCc1nn(C)c2[nH]nc(NC(=O)CCNC(=O)c3ccsc3)c12 75139756 CMMVLGDNXFFNBN-UHFFFAOYSA-N 346.416 1.679 0 40 EDAB COc1ccccc1CN(CCO)C(=O)Nc1ccc(=O)n(C)c1 89755099 SEGBFFVKNGMUEY-UHFFFAOYSA-N 331.372 1.420 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cccc(Cn3ccnc3)c2)CC1 89895952 WJOQZHJCTHTJIW-OAHLLOKOSA-N 328.416 1.070 0 40 EDAB O=C(NCc1cscn1)[C@H]1COCC(=O)N1Cc1ccccc1 89834827 SBLFZDSNNMCAHT-CQSZACIVSA-N 331.397 1.187 0 40 EDAB C[C@H]1CN(C)CCN1CC(=O)Nc1ccn(Cc2ccccc2)n1 89939119 RARJQUFCQJEDMR-HNNXBMFYSA-N 327.432 1.506 0 40 EDAB C[C@H](CCc1cccn1C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 76086942 DFUINPCTWMUEKO-OIISXLGYSA-N 334.464 1.509 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2CCCN(c3ncccn3)C2)no1 76043094 FTJVZRDSLBBWOC-UONOGXRCSA-N 342.403 1.748 0 40 EDAB CN1C[C@@H](C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)[nH]n3)C2)CC1=O 76059770 YIJJEHKNASZCON-ZJUUUORDSA-N 344.337 1.613 0 40 EDAB O=C(c1ncccn1)N1Cc2ccnn2[C@@H](CN2CCCCC2)C1 306141216 VONRDTNPEOIZQB-HNNXBMFYSA-N 326.404 1.356 0 40 EDAB Cc1nn2c(=O)/c(=C/c3ccccc3)c(=O)[nH]c2c1-c1ccccc1 22607122 DAPWPCDLWSUOTF-FOWTUZBSSA-N 329.359 1.906 0 40 EDAB COC(=O)CCN(C(=O)CCC1CCCC1)[C@H]1CCS(=O)(=O)C1 32641466 DDHBDZAGSZCUTK-AWEZNQCLSA-N 345.461 1.536 0 40 EDAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nc(N)cc(=O)[nH]1)C2 32074942 QWFDAICAVYVLPF-NSHDSACASA-N 333.369 1.269 0 40 EDAB CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 516623579 BPSOJPAOPHBUFP-GWCFXTLKSA-N 331.424 1.406 0 40 EDAB O=C(N1C[C@@H]2CCC[C@@]2(C(=O)O)C1)[C@]1(c2ccccc2)CCNC1 521396622 AUNMAFFBHFIMNV-KFKAGJAMSA-N 328.412 1.631 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccccc1 128060174 ZBBIJYAIILKXBS-UHFFFAOYSA-N 332.425 1.765 0 40 EDAB COc1ccccc1N1CCN(Cc2ncc(C(=O)O)c(C)n2)CC1 217345667 HSIWSBDQHQGASP-UHFFFAOYSA-N 342.399 1.814 0 40 EDAB CCOC[C@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(OC)cc1 218078219 KYFMLCAOSZFIQH-KCQAQPDRSA-N 343.470 1.515 0 40 EDAB CNC(=O)NC(=O)CCn1cnc2c(Cl)cc(Cl)cc2c1=O 26007595 RPGOYHHTBICEQZ-UHFFFAOYSA-N 343.170 1.549 0 40 EDAB O=C(Nc1nc2ccccc2s1)C1CN(S(=O)(=O)C2CC2)C1 70838724 VSLBHLOEHXCIRR-UHFFFAOYSA-N 337.426 1.659 0 40 EDAB CNCC(=O)N1CCCC[C@@H]1c1nc(C)cc(Nc2cnccn2)n1 72363281 YEZRYAQSTZPYQP-CYBMUJFWSA-N 341.419 1.592 0 40 EDAB Cc1nnc(-c2ccccc2C(=O)N2CCN(CC(C)C)C(=O)C2)o1 189206894 QUNBGSHLHARZJT-UHFFFAOYSA-N 342.399 1.985 0 40 EDAB CN(C(=O)CN1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C)C1CC1 180689319 VZEUHTBISSRHHO-KFNAQCHYSA-N 326.462 1.448 0 40 EDAB O=C1CCSC[C@H](C(=O)Nc2cnn(Cc3ccccc3)c2)N1 226753173 CAGFVJXNZDZIPH-CQSZACIVSA-N 330.413 1.492 0 40 EDAB O=C(NCc1ccccc1F)[C@H](Cc1ccccc1)n1cnnn1 49551120 LHKWLVNAODQZSO-INIZCTEOSA-N 325.347 1.912 0 40 EDAB Cc1nnc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)s1 329964252 UKBNJUXXXHXEPC-CQSZACIVSA-N 331.445 1.836 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](Oc2cccnn2)C1 225452918 RMBRTDSCUASHMW-CYBMUJFWSA-N 327.340 1.889 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 75163087 YWAOHCNQQNJDGS-GFCCVEGCSA-N 339.355 1.372 0 40 EDAB CC(C)N(C)S(=O)(=O)N(C)Cc1ccccc1N1CCOCC1 40539410 XYDWXNJEVSDODH-UHFFFAOYSA-N 341.477 1.540 0 40 EDAB CCc1ncnc(N2C[C@H]3CC[C@H]2CN3C(=O)c2ccnn2C)c1F 1068032308 GNHMCCDQMOLWBQ-NWDGAFQWSA-N 344.394 1.405 0 40 EDAB CCOc1ccccc1CCC(=O)N1CC[C@H](N2C(=O)COC2=O)C1 225701042 OREYSXCYYAKZGR-AWEZNQCLSA-N 346.383 1.598 0 40 EDAB O=C(CCS(=O)(=O)c1ccccc1)NCc1cnn2c1CCCC2 225610147 BJXQFIXSEDBNHJ-UHFFFAOYSA-N 347.440 1.700 0 40 EDAB Cc1ccc(F)c(N2CCC(NC(=O)[C@@H](C)S(C)(=O)=O)CC2)c1 195567804 ORJDQXZSUDQLPG-GFCCVEGCSA-N 342.436 1.652 0 40 EDAB C[C@@H]1COCCN1CCN(C)[C@@H]1CCN(Cc2ccccc2)C1=O 192819682 NGNDWUSRGRRUGW-SJLPKXTDSA-N 331.460 1.440 0 40 EDAB CC[C@H](CO)N1CCN(C(=O)Cc2cc(F)c(F)cc2F)CC1 195546427 TYDKSROITGEFOP-GFCCVEGCSA-N 330.350 1.562 0 40 EDAB O=C1CO[C@@]2(COCCN(Cc3ccoc3)C2)CN1c1cccnc1 96051332 JCJPNHFQFQDDOB-GOSISDBHSA-N 343.383 1.309 0 40 EDAB COc1ccc(OC[C@H](O)CN2CCc3ncnc(OC)c3C2)cc1 97202054 MWKLOICUQBHIEM-CYBMUJFWSA-N 345.399 1.292 0 40 EDAB Cc1ccnc(OC[C@@]23CCO[C@@H]2CCN(c2ncc(F)cn2)C3)n1 96110460 CZAXQBUYSZXHQG-PBHICJAKSA-N 345.378 1.779 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)NC[C@@H]2CN(C)CCN2C)c1 96436500 OKFDIXIANJVOHF-OAHLLOKOSA-N 327.432 1.156 0 40 EDAB CN(C)C(=O)N1Cc2nnn(CC3CC3)c2[C@H](COCC2CC2)C1 96045646 UJTRMJFSJJZNBN-AWEZNQCLSA-N 333.436 1.696 0 40 EDAB COC[C@H]1CN(S(=O)(=O)c2cccs2)Cc2nccn2C1 96187754 KRERFRWVWCMQNC-LLVKDONJSA-N 327.431 1.412 0 40 EDAB COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)O1 96057488 BJYWVCXAFCMJCI-BRWVUGGUSA-N 336.407 1.710 0 40 EDAB CCc1nnc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)n1C 583620156 IRZYBBIUOIANJD-KBXCAEBGSA-N 345.495 1.626 0 40 EDAB CCc1nn(C)cc1CN[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 583616594 QBTVCYBAVPMEKP-RHSMWYFYSA-N 330.436 1.168 0 40 EDAB CC1CCN(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)CC1 583651589 OPWGVGNDPPQJTO-UHFFFAOYSA-N 338.452 1.345 0 40 EDAB CO[C@H]1CCC[C@@H]1CNC(=O)N1CCCN(C(=O)C(C)C)CC1 331473945 KLQWJFYNSGRDGX-CABCVRRESA-N 325.453 1.701 0 40 EDAB CN(C)c1ccc(CCNC(=O)NCC[C@H](O)C(F)(F)F)cc1 96413308 HEUZYMQQQWZGRP-ZDUSSCGKSA-N 333.354 1.908 0 40 EDAB O=C(COc1ccccc1Br)NCCc1nc[nH]n1 95449832 LOYZYLUIXHPJOR-UHFFFAOYSA-N 325.166 1.305 0 40 EDAB CCCC[C@@H](CC)CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)NC 585088581 AYMWGKNWQXJFRN-ZIAGYGMSSA-N 346.493 1.355 0 40 EDAB O[C@@H](CNCCN1CCOCC1)CO[C@H]1CCCc2ccccc21 96121168 JQLAFNNWVHJEGS-HKUYNNGSSA-N 334.460 1.363 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C/Cn1cncn1 585122005 KCAFBMYOCWHWSE-HFTQHKIXSA-N 339.443 1.957 0 40 EDAB Cc1nc(CN2CCCN(C(=O)[C@H](C)n3cccn3)CC2)cs1 69699790 HOUYTZKWDVHLFQ-ZDUSSCGKSA-N 333.461 1.944 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cc1 69626700 RFTJVGXZZKERMM-CQSZACIVSA-N 348.428 1.269 0 40 EDAB O=C(O)c1ccccc1C(=O)NCCN1C(=O)COc2ccccc21 1602463798 QZTDJXHTWQFWNJ-UHFFFAOYSA-N 340.335 1.540 0 40 EDAB Cc1cc([C@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)nc(C)n1 257258730 KVGFORNEBUREQZ-QGZVFWFLSA-N 332.448 1.868 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1nccn1C 257321828 WDKISEZEESTMQY-HNNXBMFYSA-N 342.399 1.474 0 40 EDAB Cn1nccc1CCC(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257278935 OEHCNGWUTREFSU-JFIYKMOQSA-N 344.415 1.225 0 40 EDAB CN(C(=O)c1cccnn1)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257293316 QOYYWYHDNKARKS-BZUAXINKSA-N 328.372 1.305 0 40 EDAB CCCc1cc(C(=O)N2CCOC[C@H]2c2nc(C)cc(NC)n2)no1 257259735 KZSLRBFSURYMMT-AWEZNQCLSA-N 345.403 1.981 0 40 EDAB Cn1nccc1-c1cc(C[C@H]2CCCN(S(C)(=O)=O)C2)ccn1 257283902 PAKQWLHXLMVNJP-CQSZACIVSA-N 334.445 1.696 0 40 EDAB Cc1ccc(CC(=O)N2CCO[C@@H](c3ncc(CN(C)C)[nH]3)C2)s1 257302278 SCGQAWGXWRXDOP-OAHLLOKOSA-N 348.472 1.984 0 40 EDAB Cc1ncccc1C(=O)N1CCOC[C@@H]1CCc1nccnc1C 257247237 IYCKNHKAEFUVOS-HNNXBMFYSA-N 326.400 1.962 0 40 EDAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O)c1ccccc1F 257341586 ZKYQGMVZMUSHBC-NCOADZHNSA-N 349.333 1.636 0 40 EDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)Cc3cccs3)C2)ncn1 257328478 XFUGFGVBKGKMKA-KRWDZBQOSA-N 346.456 1.489 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)cn1 281240603 PBTBHMRUMICBQE-GJZGRUSLSA-N 329.379 1.869 0 40 EDAB CC[C@@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)Oc1cccc(C)c1 1615547376 SZJZLLVHGLTVPR-HOCLYGCPSA-N 342.399 1.648 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)C3CCC3)C[C@H]12)c1ccsc1 575405818 UXXBNLVPCMDQRY-RRFJBIMHSA-N 334.441 1.751 0 40 EDAB O=C(NCCn1cnc(C2CC2)cc1=O)NCc1ccc(F)cc1 575413792 YHNIPSVKZMIYCW-UHFFFAOYSA-N 330.363 1.759 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1 585141095 PKNWCTCZGHBJOR-AEFFLSMTSA-N 332.444 1.996 0 40 EDAB CN1N=C(C(=O)NCCCc2nc3ccccc3s2)CCC1=O 65454233 JBHIDSPXNGPILL-UHFFFAOYSA-N 330.413 1.953 0 40 EDAB CCS(=O)(=O)CCn1cc(NC(=O)c2ccc(F)c(F)c2)cn1 72291957 SXTHERPRIVTNEF-UHFFFAOYSA-N 343.355 1.848 0 40 EDAB CC(C)NC(=O)[C@H](NCc1nnc2n1CCCC2)c1ccccc1 72299699 HGCMTTBESGLZJK-QGZVFWFLSA-N 327.432 1.970 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)Nc1cnn(C)c1 76091712 YPILXEFBMSCWDD-OAHLLOKOSA-N 342.447 1.752 0 40 EDAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CCCc2ccccc21 85472774 CKLMTUKLVMYYTP-OAHLLOKOSA-N 328.412 1.993 0 40 EDAB CCS(=O)(=O)N1CCCc2cc(C(=O)NCCOC)ccc21 13610387 PZLSGRMRLHUWMN-UHFFFAOYSA-N 326.418 1.165 0 40 EDAB O=C(C[C@H]1SC[C@@H](C(=O)O)NC1=O)Nc1cccc2ccccc12 13636954 CJRILOKSZVDZHH-UONOGXRCSA-N 344.392 1.853 0 40 EDAB Cc1ccc(Cl)cc1-n1ncc2c(NCCNCCO)ncnc21 17121543 PDQVVRJSXJMEMS-UHFFFAOYSA-N 346.822 1.771 0 40 EDAB Oc1nc(-c2cccnc2)nc2c1CCN(CC1=COCCO1)C2 19340023 VOCHPFKTSBZIFZ-UHFFFAOYSA-N 326.356 1.491 0 40 EDAB OCC[C@H]1CN2CCC[C@@H]2CN1Cc1n[nH]nc1-c1ccccc1 19373948 HIPRWODPTJKNMP-CVEARBPZSA-N 327.432 1.503 0 40 EDAB O=C(NC[C@@H](O)Cn1ccccc1=O)C1(c2cccs2)CCCC1 206889169 BULPIKMUMSLYAM-CQSZACIVSA-N 346.452 1.899 0 40 EDAB CSCC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)O)c1)C(=O)O 4204800 LYBCLCKCCNIXRW-NSHDSACASA-N 347.414 1.178 0 40 EDAB in-vitro COC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O 4118071 FFWUMNCHEBCGKM-UHFFFAOYSA-N 337.401 1.144 0 40 EDAB CCc1nc(N2C[C@@H]3CN(C(=O)C4CCCC4)C[C@H]3C2)nc(O)c1F 1888850349 UAHJCHWAHRYWQF-STQMWFEESA-N 348.422 1.969 0 40 EDAB FC(F)c1cc(N2CCN(CCn3ccnn3)CC2)nc(C2CC2)n1 1888863891 XIMNJIWJDHUHSY-UHFFFAOYSA-N 349.389 1.705 0 40 EDAB O=C([C@H]1CCCN(c2cc(C(F)(F)F)ncn2)C1)N1CCOCC1 1889095521 TTXZJUDWTSPDJA-NSHDSACASA-N 344.337 1.571 0 40 EDAB CN(CC(=O)N1CCO[C@H](c2ccncc2)C1)Cc1cccnc1 2037670903 KPXUFAYQGAEMGK-KRWDZBQOSA-N 326.400 1.509 0 40 EDAB O=C(N1CCO[C@]2(CCCN(c3cnccn3)C2)C1)C1(F)CCC1 1614928626 PKCOYDPZAHRBGP-INIZCTEOSA-N 334.395 1.567 0 40 EDAB CCn1nnc2c1CCN(C(=O)c1cc[nH]n1)[C@H]2COCC1CC1 1565549213 OHQCBOYPEAYLQA-AWEZNQCLSA-N 330.392 1.187 0 40 EDAB Cc1nc(C(=O)N2C[C@@H]3CN(c4cnccn4)CC[C@H]3C2)cs1 1565554089 JWCKSWSYJCZLOW-STQMWFEESA-N 329.429 1.840 0 40 EDAB CCNC(=S)N1CCN(C(=S)c2ccc(N(C)C)cc2)CC1 4331330 SKSQBNYNXPFHMB-UHFFFAOYSA-N 336.530 1.940 0 40 EDAB CCOc1c(C)cnc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C 9571667 RPASGFXDPLEFAI-UHFFFAOYSA-N 343.358 1.990 0 40 EDAB COc1cc([C@H]2CC(=O)Nc3nc(N)sc32)ccc1OCC(N)=O 12419241 FEPFWEAVGHTJKZ-MRVPVSSYSA-N 348.384 1.072 0 40 EDAB CCCCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055713906 YHWCNZPOFYLLLR-CQSZACIVSA-N 332.448 1.844 0 40 EDAB Cc1csc(NC(=O)c2ncn3c2CC[C@@H](C(=O)NC(C)C)C3)n1 2055715722 DMUDELROAPQCOT-LLVKDONJSA-N 347.444 1.987 0 40 EDAB CSc1nc(C)cc(N2CCCN(S(=O)(=O)C3CC3)CC2)n1 2069627468 DFMUANAUKCHXSZ-UHFFFAOYSA-N 342.490 1.511 0 40 EDAB COc1ccc(O[C@H]2CCN(C(=O)c3ccc(OC)c(F)c3)C2)nn1 225439324 HMDXPJDKIDBFJW-LBPRGKRZSA-N 347.346 1.926 0 40 EDAB Cn1ccc2ccn(CCNC(=O)COc3ccccc3F)c(=O)c21 575414547 BBPSWKQNUKZXFC-UHFFFAOYSA-N 343.358 1.674 0 40 EDAB O=C(NCc1cn(-c2cccnc2)nn1)c1cccc2c1OCCO2 575617554 FQLGGGVOUJNUNK-UHFFFAOYSA-N 337.339 1.364 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1 6061184 HWGDPWQYIQOKHA-MHORFTMASA-N 340.423 1.854 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 102445375 ITASIBIOHKWOKH-LWWSYDQCSA-N 330.384 1.151 0 40 EDAB biogenic Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 279315 NRGHCWQGTHPFTE-FVWCLLPLSA-N 349.434 1.675 0 40 EDAB biogenic CCN(CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)NC)o1)C(C)C 31387403 HUVSDGZHTQEGJI-GFCCVEGCSA-N 345.465 1.284 0 40 EDAB Cc1nc2ccc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc2nc1C 40464655 GKVJSNBPQZWZJF-INIZCTEOSA-N 333.413 1.554 0 40 EDAB O=C1CN(c2ccc(NC(=O)c3ccc4ccccc4n3)cn2)CCN1 31719073 RQJFOAFSZXFMCH-UHFFFAOYSA-N 347.378 1.818 0 40 EDAB CCn1cnnc1CNC(=O)c1cccnc1OCC(F)(F)F 40536143 SOYKDVDOMAAZRN-UHFFFAOYSA-N 329.282 1.564 0 40 EDAB O=C(COc1cccc2nsnc12)N1CCC2(CC1)OCCO2 20567733 WPTDXTAEUQRASZ-UHFFFAOYSA-N 335.385 1.436 0 40 EDAB CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 32073090 MJROVAIHDXLELD-LLVKDONJSA-N 341.433 1.026 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)c1cc(-n2cnnn2)ccc1Cl 20727916 CFUJVIAHGQUKHP-OAHLLOKOSA-N 343.774 1.779 0 40 EDAB Cc1ccc(-c2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)[nH]n2)cc1 32770022 ZCJBORXBTNVELG-GFCCVEGCSA-N 333.413 1.550 0 40 EDAB Cc1csc(=O)n1CCCC(=O)N1CC(=O)Nc2ccccc21 32747835 QLSWAKMIBFCOTP-UHFFFAOYSA-N 331.397 1.984 0 40 EDAB O=C(NCc1ccc(Cn2cncn2)cc1)[C@H]1Cc2ccccc2O1 32868971 AKMBAVGJGKGVTD-GOSISDBHSA-N 334.379 1.946 0 40 EDAB Cc1ccc(C2=CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)cc1 53392557 XHOQDWFZNAPUQL-HNNXBMFYSA-N 327.384 1.599 0 40 EDAB O=C1CCCN1[C@@H]1CCCN(Cc2ncn(-c3ccccc3)n2)C1 92796670 ROVXEOGJYZZQCJ-MRXNPFEDSA-N 325.416 1.854 0 40 EDAB NC(=O)c1cnc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 47087783 PFZVRBLOPYOKMI-UHFFFAOYSA-N 334.763 1.389 0 40 EDAB O=C(COC(=O)C1(O)CCCC1)N1CCc2[nH]c3ccccc3c2C1 61248899 AFLJHAAKKFPXQI-UHFFFAOYSA-N 342.395 1.901 0 40 EDAB CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 8991882 JLXFOVUVDVSCTF-STQMWFEESA-N 342.417 1.490 0 40 EDAB CCOC(=O)c1cccc(NC(=O)CSc2nnnn2CC)c1 420724 SXOFUVJDHIDQBJ-UHFFFAOYSA-N 335.389 1.601 0 40 EDAB NC(=O)c1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1 8943583 VVDFTUHPPNGHSU-UHFFFAOYSA-N 341.392 1.863 0 40 EDAB NC(=O)[C@@H]1CCCN(c2ccc(C(=O)Nc3ncccc3O)cc2)C1 53762505 YATNXPVLGNKVHX-CYBMUJFWSA-N 340.383 1.741 0 40 EDAB Cc1cccn2c(=O)cc(CN3CCN(C[C@@H]4CCCO4)CC3)nc12 22790283 WXYAFJGJFHWQAK-KRWDZBQOSA-N 342.443 1.300 0 40 EDAB O=C(C1CC1)N1CCC[C@H](C(=O)N2CCN(c3ccccn3)CC2)C1 42380932 XVEHZLAYGIWXCK-INIZCTEOSA-N 342.443 1.379 0 40 EDAB CN1N=C(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CCC1=O 23100978 MVOIRFMZRWSPRL-AWEZNQCLSA-N 331.372 1.791 0 40 EDAB O=C(COc1cccc(Br)c1)O[C@H]1CCS(=O)(=O)C1 4178333 OCVIRVVWTWBZAN-NSHDSACASA-N 349.202 1.558 0 40 EDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccccc1Br 4904589 CDZSMHMQEAUHBO-SECBINFHSA-N 327.178 1.683 0 40 EDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccnc2)C1=O 23946232 AUKPPGDMBNMWTQ-SFHVURJKSA-N 338.367 1.670 0 40 EDAB CCc1nc(CN2CCCN(c3ncnc4c3CCC4)CC2)no1 72276361 WTMXOBDGABBMSW-UHFFFAOYSA-N 328.420 1.623 0 40 EDAB Cc1nc(CC(=O)NCc2ccc(CS(N)(=O)=O)cc2)cs1 24609832 OQIHTEVTRYPCQA-UHFFFAOYSA-N 339.442 1.099 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cc1 24987967 CYSLPHJGLWEJFM-AWEZNQCLSA-N 333.413 1.631 0 40 EDAB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCC(=O)O 2556694 YBQKEBJWZXSFMI-AWEZNQCLSA-N 336.388 1.918 0 40 EDAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCN1S(C)(=O)=O 25320457 UIOOAPFDICJREF-ZDUSSCGKSA-N 348.827 1.862 0 40 EDAB CN1C[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC1=O 56250626 OECUHBWKAREBSN-CYBMUJFWSA-N 334.391 1.468 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)o1 56351230 MZDDOWVWQNCHTO-NSHDSACASA-N 340.788 1.998 0 40 EDAB COc1ccc(C2(CNC(=O)c3cccc[n+]3[O-])CCOCC2)cc1 56452565 GHZSNJYGMYBEQA-UHFFFAOYSA-N 342.395 1.807 0 40 EDAB CCc1n[nH]c([C@H]2CN([C@H](C)C(=O)Nc3cc(C)on3)CCO2)n1 107354453 OQRKANGLGLKCFW-GHMZBOCLSA-N 334.380 1.064 0 40 EDAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@H](O)C(F)(F)F 97114678 PUFZOFDNDVZFFU-TYPZKAAFSA-N 344.399 1.631 0 40 EDAB CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 97107373 YIOIEIDJAFMNAE-WBVHZDCISA-N 336.457 1.806 0 40 EDAB C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)[C@@H](C)n1cncn1 108085215 NMHYCCVSTYDCJT-ZMSDIMECSA-N 343.431 1.245 0 40 EDAB C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ccccc2)CC1 57389695 ZIEJYNNNHQNCNF-CQSZACIVSA-N 332.448 1.821 0 40 EDAB CCCOc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1 101360899 DGUPNGRGMKZIAX-BSXFFOKHSA-N 329.352 1.281 0 40 EDAB C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 119396339 NYFNQZMCLCJGAF-PBHICJAKSA-N 346.475 1.485 0 40 EDAB CS(=O)(=O)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)CC1 108535480 GTQPXVRLTOVRQO-INIZCTEOSA-N 337.445 1.246 0 40 EDAB CCn1cnnc1CNC(=O)NCC1(c2ccccc2)CCOCC1 44955804 SIWSOGOSIKNNCV-UHFFFAOYSA-N 343.431 1.846 0 40 EDAB CO[C@@H](C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 44955684 MTCPOZBWUSAJNJ-UKRRQHHQSA-N 340.445 1.162 0 40 EDAB C[C@@H]1CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)C[C@@H](C)O1 58343395 NOJQPJPPMSJHBK-CHWSQXEVSA-N 343.383 1.707 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)cc1Cl 100377262 VJIOWASHDGHHIE-OSRSDYAFSA-N 333.771 1.844 0 40 EDAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(C)s1 48354262 LJNCOVGSWRTKNA-UHFFFAOYSA-N 326.399 1.965 0 40 EDAB CCOC(=O)c1c(OCCO)nn(-c2ccc(Cl)cc2)c1N 2555683 IYFBIUUDKBAENZ-UHFFFAOYSA-N 325.752 1.656 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(C2CCCCC2)n1N 2641208 JQGFYEHZLFKTNI-VIFPVBQESA-N 340.453 1.366 0 40 EDAB CC(C)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 2619897 OBHMZRWJCPJSSW-UHFFFAOYSA-N 328.390 1.075 0 40 EDAB Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)[C@@H]2C[C@H]2C)c1C 12916435 MNYNBLBCWBVDIN-TZMCWYRMSA-N 331.416 1.473 0 40 EDAB O=C1CC[C@H](C(=O)NCc2csc(CCc3ccccc3)n2)N1 83006694 HTHACGQIBMZICN-CQSZACIVSA-N 329.425 1.823 0 40 EDAB COc1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(C)c2C)cc1 71280478 UPYYKKJWTANLTM-HNNXBMFYSA-N 333.432 1.917 0 40 EDAB C[C@H](C(=O)NCc1ccco1)N1CCc2c(nc(C3CC3)n2C)C1 84001331 VJDJGBWYIYZKEQ-GFCCVEGCSA-N 328.416 1.954 0 40 EDAB c1cc(CNCc2cnc(N3CCOCC3)nc2)c2c(c1)OCO2 65465640 ZECJNMUEFXJSGJ-UHFFFAOYSA-N 328.372 1.332 0 40 EDAB O=C(NCCN1CCCCCC1=O)NCc1nnc2n1CCCCC2 65440899 NRMGDYLPUIQMFY-UHFFFAOYSA-N 348.451 1.206 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2C(N)=O)cc1 6315152 BURAAUZAXSGQTR-UHFFFAOYSA-N 334.353 1.512 0 40 EDAB CN(C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)N1CCCC1 65590878 AFZWYXNZHQKPJO-UHFFFAOYSA-N 347.431 1.669 0 40 EDAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cn(C)cn1 65553919 HTMHFSHCAAEILX-LLVKDONJSA-N 336.417 1.749 0 40 EDAB CCO[C@H](C)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccc(OC)cc1 65554159 FCRLORDCPDNRSU-QAPCUYQASA-N 349.475 1.525 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CC(=O)Nc1ccc(F)cc1 14186041 HGVNSPUEPFTHAG-JTQLQIEISA-N 347.398 1.290 0 40 EDAB O=C(NS(=O)(=O)c1ccccc1F)c1cccc2c1OCCO2 65644752 YVVQYRBVHWUOQR-UHFFFAOYSA-N 337.328 1.716 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)n1 72299530 VNFLTVLPJBUCTN-OAHLLOKOSA-N 328.372 1.191 0 40 EDAB Cc1cccc(OC[C@H](O)CNC(=O)Cc2c[nH]c3ncccc23)c1 84211193 NOKFBRBSOHBACQ-OAHLLOKOSA-N 339.395 1.970 0 40 EDAB CS(=O)(=O)c1nc(C(=O)NOCc2ccccc2)c2ccccn12 66308406 IDKWADRGLPOGHF-UHFFFAOYSA-N 345.380 1.599 0 40 EDAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CNC2CC2)c1 4946839 WELLAAYLXDOVEE-UHFFFAOYSA-N 331.825 1.281 0 40 EDAB CN1CCN(c2ncc(CN3CCOc4ccccc43)cn2)CC1 97143296 UHYBSAZVSZEJIL-UHFFFAOYSA-N 325.416 1.627 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CO3)cn1 71796974 WEAOIRAPHQLTNK-CQSZACIVSA-N 326.356 1.728 0 40 EDAB C[C@H](CO)NC(=O)NC[C@@H](C)Oc1cccc(Br)c1 80546607 IKCGTMGUCJTXHR-NXEZZACHSA-N 331.210 1.896 0 40 EDAB CS(=O)(=O)C1=C(N)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 19830692 WHKVGELUOWYMIC-OAHLLOKOSA-N 328.393 1.989 0 40 EDAB CCNC(=O)N1CCN(C(=O)c2ccc(-c3cnco3)cc2)CC1 68238977 XJENUKYIMFDZOB-UHFFFAOYSA-N 328.372 1.829 0 40 EDAB CCO[C@H]1C[C@@H](O)C12CCN(c1ccc(-n3ccc(C)n3)nn1)CC2 96421020 JNQAERIDWOMKEP-CABCVRRESA-N 343.431 1.727 0 40 EDAB CCNC(=O)N1CC[C@H](NC(=O)NCc2cc(F)ccc2F)C1 96473684 WGFXDXJQGZYJOS-LBPRGKRZSA-N 326.347 1.568 0 40 EDAB CCCOC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 16183297 NZZPJYBERHQRBS-VMPITWQZSA-N 339.413 1.674 0 40 EDAB O=C(NCc1nccn1CCc1ccccc1)NCC1(O)CCC1 83751699 QWRJXSAAURDMPE-UHFFFAOYSA-N 328.416 1.840 0 40 EDAB NS(=O)(=O)c1ccc(OCCOC(=O)/C=C/c2ccco2)cc1 7887663 CQUZTFWCWWFUGL-VMPITWQZSA-N 337.353 1.562 0 40 EDAB Cn1nccc1CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 91066114 NALDJSCVJRYERT-KRWDZBQOSA-N 342.399 1.047 0 40 EDAB CNC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(N)=O)c1 9513584 PDUSJJLGBRTTQB-UHFFFAOYSA-N 341.367 1.471 0 40 EDAB CC1=NN(c2ccc(C(=O)N3CCN(C[C@H](C)O)CC3)cc2)CC1 70016223 LXTUPSSBCMBWOY-HNNXBMFYSA-N 330.432 1.411 0 40 EDAB CCO[C@H](C)C(=O)NCCNC(=O)c1cccc(Br)c1 69322881 LWHRZWRBMUBNJL-SNVBAGLBSA-N 343.221 1.720 0 40 EDAB CCN1CCN(c2ccc(C(=O)NCCn3ccnc3)cc2F)CC1 69325108 NEIOHLQIDSIBNJ-UHFFFAOYSA-N 345.422 1.594 0 40 EDAB O=C(Nc1nnc2ccccn12)[C@H]1CSCN1C(=O)C1CCCC1 71882644 DNNTUYKKRPZZCH-GFCCVEGCSA-N 345.428 1.760 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@H](C)n2cncn2)C1 69518712 AFYPZOVHVBRDTJ-WCQYABFASA-N 349.822 1.896 0 40 EDAB Cc1nc(CN2CCCN(C(=O)[C@@H](C)n3cccn3)CC2)cs1 69699788 HOUYTZKWDVHLFQ-CYBMUJFWSA-N 333.461 1.944 0 40 EDAB Cc1ccccc1OCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 69652486 GFWDOTBKQJMNHW-UHFFFAOYSA-N 342.443 1.842 0 40 EDAB CCn1c(=O)n(CC(=O)N2CCC[C@@H](COC)C2)c2ccccc21 69740801 LTKNWWRZCMWSST-CQSZACIVSA-N 331.416 1.708 0 40 EDAB Cc1ccc(N2CCCN(C(=O)Cc3c(C)noc3C)CC2)nn1 69740992 PASXKHIAURDXMY-UHFFFAOYSA-N 329.404 1.671 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](N[C@@H](C(N)=O)c1ccc(F)cc1)CC2 69919335 ZYAQYERAMNKZHD-UKRRQHHQSA-N 331.395 1.672 0 40 EDAB CCOC(=O)c1ccsc1NC(=O)C(=O)NC[C@@H]1CCCO1 69973724 GDPIAZZZASRIMZ-VIFPVBQESA-N 326.374 1.159 0 40 EDAB COc1cc(CN(C)S(=O)(=O)NC(C)C)ccc1OC(F)F 97048042 YQFVRHWRMHGUGA-UHFFFAOYSA-N 338.376 1.971 0 40 EDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(CC(=O)NC2CC2)c1 72400894 ZZDYSHWUQWMHBG-GJZGRUSLSA-N 330.384 1.803 0 40 EDAB CCCC[C@@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(N)=O 84742913 BJETUBNYSWMDMM-VHSXEESVSA-N 333.358 1.537 0 40 EDAB COC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1ccn(C)c(=O)c1 95404773 SXIRMTMTDJEYGB-INIZCTEOSA-N 326.352 1.298 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N(CCCO)Cc2cccnc2)C1 95428910 BDJGERBJEBPYAS-CQSZACIVSA-N 327.450 1.243 0 40 EDAB O=C(NCc1ccco1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 95426015 IFCQGEQYQHTDKQ-FUHWJXTLSA-N 343.427 1.962 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)NCCc1ccc(-n2cccn2)cc1 95436834 KLXGFMKJXHIXFN-MRXNPFEDSA-N 341.415 1.335 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)NCCc1cccc2cccnc12 95436836 PRDJMNAEKLWNJV-OAHLLOKOSA-N 326.400 1.697 0 40 EDAB CCOC(=O)[C@H](CO)NC(=O)CCc1cccc(OC2CCCC2)c1 95456358 LFJYXYYIGBUYJW-KRWDZBQOSA-N 349.427 1.981 0 40 EDAB CS(=O)(=O)Cc1ccc(NCC(=O)N2CCCCC2)cc1F 95412866 JGCCMWDWYUWVRL-UHFFFAOYSA-N 328.409 1.795 0 40 EDAB Cc1cccn2cc(CNS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)nc12 95454376 VLVBFCYIGIKENZ-BETUJISGSA-N 338.433 1.086 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)cc2c1C 73842515 GRUAHIVUMJHQTK-CYBMUJFWSA-N 335.429 1.678 0 40 EDAB COCCOc1ccc(N(C)C(=O)N(C)C[C@@H](O)CN(C)C)cc1 95964328 DZHOFVFKWPOIJS-HNNXBMFYSA-N 339.436 1.122 0 40 EDAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1cc3ccccc3n(C)c1=O)CC(=O)O2 85877556 MIWBEPLPSCVVGR-GFCCVEGCSA-N 336.347 1.976 0 40 EDAB biogenic NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(F)c(F)c1 9909030 QOUGRHAUEHXPRG-UHFFFAOYSA-N 340.307 1.921 0 40 EDAB C[C@H](CS(C)(=O)=O)NC(=O)CCc1ccc(Br)cc1 75093765 VGVFLWGWKLSCMI-SNVBAGLBSA-N 348.262 1.931 0 40 EDAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](O)c1ccsc1 56906477 UGHLWARMFBMYKZ-CYBMUJFWSA-N 338.816 1.868 0 40 EDAB Cc1nc(CC2CCN(C(=O)N[C@H]3CC34CCOCC4)CC2)no1 1548453549 TZGBZOVTBAGHSE-AWEZNQCLSA-N 334.420 1.911 0 40 EDAB Cc1ccc(CN2C[C@H]3OC[C@H](CNS(C)(=O)=O)[C@H]3C2)s1 306136203 PMOVYHQXPWVRKR-IACUBPJLSA-N 330.475 1.053 0 40 EDAB O=C(NC[C@]12CCC[C@H]1CN(C(=O)c1cocn1)C2)c1cocn1 1009104055 YDEPTSLAPPBREW-ZBEGNZNMSA-N 330.344 1.335 0 40 EDAB O=C(O)[C@]1(C(=O)NCc2cc3n(n2)CCC3)C[C@H]1c1ccccc1 1553331640 XCCNFGPIZLRSGA-MAUKXSAKSA-N 325.368 1.704 0 40 EDAB C[C@@H]1CCN(C(=O)C(=O)Nc2cccn(C)c2=O)[C@@H](c2ccco2)C1 126924921 NTIDFMGDTGNLIN-TZMCWYRMSA-N 343.383 1.917 0 40 EDAB Cc1nc(CN2CCN([C@@H]3CCCN(CC(C)(C)C)C3=O)CC2)n[nH]1 521393944 LXMGHQZIAWDEPY-OAHLLOKOSA-N 348.495 1.268 0 40 EDAB C[C@H](Nc1ccn(-c2ccccc2Cl)n1)C(=O)N1CCNC1=O 188597183 NHVPTMBLTHAGNT-JTQLQIEISA-N 333.779 1.878 0 40 EDAB Cc1nnc2c(=O)n(CC(=O)NC3CCCC3)c3ccccc3n12 64871471 ZOVXOEIVFIVCAH-UHFFFAOYSA-N 325.372 1.411 0 40 EDAB CCN(CC)CCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 72238023 ZDZZYGRIFURMNB-MSOLQXFVSA-N 347.459 1.433 0 40 EDAB Cc1nc2ncc3c(=O)n(CC(=O)Nc4ncccc4C)ccc3n2n1 79485659 ZFILUTRCGONGNN-UHFFFAOYSA-N 349.354 1.090 0 40 EDAB CCN1CCCC[C@H]1CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1 78926056 BXPLZHCPFKJZHN-HNNXBMFYSA-N 338.496 1.761 0 40 EDAB CN1c2ncccc2C(=O)NC12CCN(C(=O)c1cccs1)CC2 72347076 LUPTZSAGYWOTJI-UHFFFAOYSA-N 342.424 1.955 0 40 EDAB CN(CCCOCc1ccccc1)c1nc(N)c2cnn(C)c2n1 225580333 MXJCJGXSNNIETG-UHFFFAOYSA-N 326.404 1.989 0 40 EDAB CNC(=O)CCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1C 226852032 XGZIZZKZVHZCFW-CYBMUJFWSA-N 330.388 1.200 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCc2nccc(N(C)C)n2)c(C)c1 224195372 RPIWLDFUSAHQEM-UHFFFAOYSA-N 334.445 1.946 0 40 EDAB CCc1ccc(N2C[C@@H](C(=O)NCCNC(=O)C3CC3)CC2=O)cc1 43944825 UXYUQIYESWWRNG-HNNXBMFYSA-N 343.427 1.244 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)NCc2ccccc2)C1 225389414 IKMIGNIQZLVLNQ-AWEZNQCLSA-N 328.372 1.848 0 40 EDAB O=C(NCCCN1CCOCC1)c1nnc2ccc(Cl)cc2n1 46088564 WZFMTKQLSTVZOY-UHFFFAOYSA-N 335.795 1.130 0 40 EDAB O=C(O)CN(C(=O)c1cc2ccccc2c(O)n1)C1CCOCC1 532602741 AZDGCIUSBVXXEP-UHFFFAOYSA-N 330.340 1.646 0 40 EDAB COCCn1nnnc1Cn1cc(NC(=O)NC2CCCCC2)cn1 41070450 QAGUFHWSFPCBKO-UHFFFAOYSA-N 348.411 1.019 0 40 EDAB O=C([C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1)N1CCOCC1 96042940 BPJPDJWTMLBFOA-GBESFXJTSA-N 344.455 1.567 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)[C@H]1CCCN(c3ccccn3)C1)CC2 97198944 AKHTXESBCPHTKL-GJZGRUSLSA-N 340.431 1.329 0 40 EDAB CC[C@H](Cc1ccc(NS(=O)(=O)N2CCOCC2)cc1)C(=O)O 330908942 DGHCSQNBCZEJSZ-CYBMUJFWSA-N 342.417 1.329 0 40 EDAB Cn1cc(CN2CC[C@@]3(CCCN(C(=O)c4cnccn4)C3)C2)cn1 96158187 GSTOKQKBFMGZCR-SFHVURJKSA-N 340.431 1.338 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(C3CCOCC3)C[C@H]2O1)NCc1cccnc1 96206155 XWZKCMLPESPYNH-RYQLBKOJSA-N 345.443 1.356 0 40 EDAB CC(C)C(=O)N1CC2(CN(Cc3ccccc3)C[C@H]3C[C@@H](O)CN32)C1 514290445 ZWYWQHNXKXUGRA-QZTJIDSGSA-N 343.471 1.174 0 40 EDAB biogenic,in-vitro C[C@H](Cn1cncn1)NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 96486991 XEHSLKREIMIZME-PELKAZGASA-N 329.187 1.823 0 40 EDAB CCC(=O)NCC(=O)Nc1ncc(I)cc1C 96441305 SIEBOGFDIGMDKJ-UHFFFAOYSA-N 347.156 1.459 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1C 583616398 NKSHMJONAWMCME-ZACQAIPSSA-N 339.457 1.854 0 40 EDAB C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccccc1 583616322 VHLKHOPKAWQGLI-JYJNAYRXSA-N 325.430 1.627 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCC(N2CCCOCC2)CC1 583650995 CXPKLYSTZJGLBW-UHFFFAOYSA-N 338.473 1.703 0 40 EDAB CCc1occc1C(=O)N1C[C@H](OC)C[C@H]1c1nnc2cnccn12 583615042 UMNVKRLITYVYPM-YPMHNXCESA-N 341.371 1.882 0 40 EDAB O=C(Cc1cccs1)N1CCn2c(Cn3cncn3)cnc2C1 96201148 RORRZNDUDNWVRF-UHFFFAOYSA-N 328.401 1.169 0 40 EDAB N[C@@H]1CCc2ncc(NC(=O)N3CCC[C@H](CCO)CC3)cc2C1 333240638 DTZYHIIVHVKDEV-DZGCQCFKSA-N 332.448 1.914 0 40 EDAB O=C(CN1Cc2cncn2[C@H](COc2ccccn2)C1)N1CCCC1 247796760 RYCWMSCDFUIRRI-INIZCTEOSA-N 341.415 1.336 0 40 EDAB COc1ncccc1CN1CCn2cc(C(=O)N(C)C)nc2[C@@H]1C 247957865 DHDIJRFKUQKORB-LBPRGKRZSA-N 329.404 1.565 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCO[C@H](c3cnccn3)C2)n1 257240870 HVMZCKXNAFBJBI-ZDUSSCGKSA-N 331.376 1.516 0 40 EDAB Cn1ccc(C(=O)N2CC(O)(c3ccc(Br)cc3)C2)n1 585114237 JYLYBZCRGFUTTR-UHFFFAOYSA-N 336.189 1.526 0 40 EDAB CCOC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)c2cnn(CC)c2)[C@@H]1C 585114483 DJMSQLCJHVRTEY-OUCADQQQSA-N 343.449 1.644 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1 257293301 QOYGCCMIOAXVJJ-OAHLLOKOSA-N 346.431 1.396 0 40 EDAB O[C@]1(CNCc2ccc(OCCF)cc2)CCN(c2cnccn2)C1 257219633 DHMWDEQHKKWUGK-SFHVURJKSA-N 346.406 1.556 0 40 EDAB COCC(=O)N1CC2(CCN(Cc3ccccc3)CC2)C[C@@]1(C)CO 257209474 BQNIFEBPANOVQF-IBGZPJMESA-N 346.471 1.899 0 40 EDAB CN1C(=O)C2(CCN(C3CCOCC3)CC2)C[C@H]1Cc1cnccn1 257343792 ZUKZQLBEJOYTTP-QGZVFWFLSA-N 344.459 1.511 0 40 EDAB O=C(c1cccc2ncccc12)N1CC[C@](O)(CN2CCCC2)C1 257335576 YKUUXQSZZFHZHL-IBGZPJMESA-N 325.412 1.908 0 40 EDAB CCc1noc(CCC(=O)N2CCNC[C@@H]2c2ccccc2OC)n1 257287024 PODSSDFAFNKILV-CQSZACIVSA-N 344.415 1.746 0 40 EDAB Cc1cc([C@H]2CN(C(=O)C3(C)CCN(C)CC3)CCO2)nc(C)n1 257218624 DDUXOBSVTWLXNB-MRXNPFEDSA-N 332.448 1.725 0 40 EDAB C/C(=C\CNC(=O)OC(C)(C)C)C(=O)NC1(CO)CCSCC1 606444407 FDNVHDITNSKOOD-LFYBBSHMSA-N 344.477 1.832 0 40 EDAB CN(C)Cc1nc(CNC(=O)N2CCOCC3(CCCC3)C2)co1 1615055551 CLYCENVIDNYRMB-UHFFFAOYSA-N 336.436 1.838 0 40 EDAB CN(C)[C@@H]1CN(c2ncc(Br)cn2)CC12CCOCC2 1615614276 FYEZZPJGWSXTIN-GFCCVEGCSA-N 341.253 1.786 0 40 EDAB COC(=O)[C@@H]1Cc2ccc(O)cc2CN1CCN1C[C@H](C)O[C@H](C)C1 1616032803 WZWRBLJENXDPDA-IYOUNJFTSA-N 348.443 1.401 0 40 EDAB O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1F 69700457 FHWPHCDQPMPXSK-RDDDGLTNSA-N 337.294 1.994 0 40 EDAB CN1CCC(N2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 585275252 BBNNBUMLKMPTNY-SFHVURJKSA-N 338.423 1.362 0 40 EDAB CC(=O)Nc1nc([C@@H]2CCCN2CC(=O)Nc2cc(C)on2)cs1 585274034 YXGWBLBRRHCRGI-LBPRGKRZSA-N 349.416 2.174 0 40 EDAB CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 585289113 FBERVVMGMODNQH-ZEWWTIJFSA-N 342.399 1.258 0 40 EDAB Cc1cccc(OCCN(C)c2ncc(S(N)(=O)=O)s2)c1 69351685 RNPFFTGBLGUDFR-UHFFFAOYSA-N 327.431 1.614 0 40 EDAB COC(=O)C1(NC(=O)c2sc(-c3nc[nH]n3)nc2C)CCCCC1 69382242 BOHQYCGWTGHPHI-UHFFFAOYSA-N 349.416 1.842 0 40 EDAB CCc1ccccc1Nc1nc(N)nc(CN(C)CC(=O)OC)n1 35338887 SBZQAAHFCMEFQQ-UHFFFAOYSA-N 330.392 1.365 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccc(N3CCCC3)nc2)CC1 40501164 MHCGOIWQXKLQMZ-UHFFFAOYSA-N 331.420 1.089 0 40 EDAB CS(=O)(=O)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1565522675 NDJHXDVDSPNREK-UHFFFAOYSA-N 325.434 1.406 0 40 EDAB COc1ccc(Br)c(C(=O)N[C@H]2C[C@@H](CO)[C@H](O)C2)c1 85468473 RTXLOMVHAQYKLY-MWODSPESSA-N 344.205 1.319 0 40 EDAB Cc1nc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c2cc[nH]c2n1 584797971 YYCYLPORUGUGPR-GFCCVEGCSA-N 337.449 1.374 0 40 EDAB CS(=O)(=O)CCCN[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 96003162 LOMJDWKTITZKMX-OKZBNKHCSA-N 336.501 1.921 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)c2cccnc2N)CCO1 1615144007 YNACXUHPCRGLBR-IBGZPJMESA-N 341.411 1.418 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 5953895 RWVXLLDXUVKMSS-NEPJUHHUSA-N 328.434 1.764 0 40 EDAB CN1C[C@H](C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)CC1=O 12121797 BSAZNJGDHCOEET-OAHLLOKOSA-N 344.411 1.435 0 40 EDAB COc1ccc([C@@H]2[C@@H]3[C@@H](NC(=O)N2C)N(C)C(=O)N[C@@H]3C)c(OC)c1 12653528 IVGBQRCBJJPBGS-QUAZDUCUSA-N 348.403 1.386 0 40 EDAB CCN1CCC[C@H]1Cn1c(O)nc2cc(C(=O)OC)ccc2c1=O 12741115 COFVFHULQFDBAG-LBPRGKRZSA-N 331.372 1.373 0 40 EDAB O=c1cc([C@@H]2CCCN(CC3CCCC3)C2)nc(N2CCOCC2)[nH]1 19291978 QYDNTRZTFNPIKF-MRXNPFEDSA-N 346.475 1.976 0 40 EDAB CCCC(=O)N1CC[C@H](c2nn(CCNC(C)=O)c3nccnc23)C1 19501083 UUPHTQQEPZUCKX-ZDUSSCGKSA-N 344.419 1.078 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@@H](n3ccnn3)C2)cc1Cl 206935317 NZAVGAFKDDAWAV-SNVBAGLBSA-N 342.808 1.576 0 40 EDAB C[C@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c2cccnc2O1 158656753 XXQVVXFFFKFJTA-STQMWFEESA-N 341.367 1.837 0 40 EDAB CCOc1ccc(-n2ccn(C[C@@H]3CCCOC3)c(=O)c2=O)cc1 1888873327 CGFBRQDLCDAFGM-AWEZNQCLSA-N 330.384 1.825 0 40 EDAB Cc1nnc(N2C[C@@H]3CN(c4ccc5nnc(C)n5n4)C[C@@H]3C2)s1 1888875822 HWLLFQJLNOXKBQ-TXEJJXNPSA-N 342.432 1.165 0 40 EDAB Cc1cc2c(N3CCC[C@H](NS(=O)(=O)C4CC4)C3)nccn2n1 1889118398 AVQNNNAGWUMJCV-LBPRGKRZSA-N 335.433 1.088 0 40 EDAB Cc1cnc([C@@H]2CN(S(=O)(=O)c3cccc(F)c3)CCO2)cn1 1848356831 XXSQHFSETJHTCG-HNNXBMFYSA-N 337.376 1.686 0 40 EDAB c1ccc(CN2C[C@@H]3CC[C@@H](NCCN4CCOCC4)[C@H]3C2)cc1 252587317 XLPNKMBUYSNUTG-SLFFLAALSA-N 329.488 1.819 0 40 EDAB Cn1nccc1C(=O)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037905541 BLMBGFXDXJEZDI-QGZVFWFLSA-N 333.363 1.605 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)N1CCCN([C@@H]2CCOC2)CC1 1565523540 QDTVGMUOPLGJPS-CQSZACIVSA-N 333.388 1.744 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)c2ccc(C)o2)CC1 2055746501 PJSHSRVCSKRZSI-UHFFFAOYSA-N 345.403 1.154 0 40 EDAB COCC(=O)N1CCc2c(COCc3cccnc3)cncc2C1 2055781427 DFEABPKXLBRRQS-UHFFFAOYSA-N 327.384 1.725 0 40 EDAB COCCN1CCC(CNC(=O)C(=O)Nc2c(C)cccc2C)CC1 23127362 BKDBRELCUJKDMW-UHFFFAOYSA-N 347.459 1.717 0 40 EDAB Cc1nn(CCNC(=O)N2CCNC2=O)c(C)c1-c1cccs1 575612464 FRNSPVYJULOMGM-UHFFFAOYSA-N 333.417 1.963 0 40 EDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1O 21972353 QPNXXADVIWOOAW-UHFFFAOYSA-N 334.397 1.371 0 40 EDAB C[C@H]1CCCCN1C(=O)CCNC1=NS(=O)(=O)c2ccccc21 40459961 DFPHRHAODLFZQW-LBPRGKRZSA-N 335.429 1.516 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)CCOc2cccc(F)c2)CC1 40498587 FSISXZDYKYRFAP-UHFFFAOYSA-N 344.408 1.135 0 40 EDAB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)N1CCOCC1 40488243 ITBDYXIFXAYIJL-UHFFFAOYSA-N 339.461 1.296 0 40 EDAB Cn1cc(/C=C/C(=O)N2CCN(CCOc3ccccc3)CC2)cn1 40461281 URXXHJCYDJJSNH-BQYQJAHWSA-N 340.427 1.657 0 40 EDAB CCc1nnsc1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40539021 ZQJKVEJKXLUAOZ-OAHLLOKOSA-N 345.384 1.407 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)CCOc2ccccc2Cl)CC1 40512829 MKIAPIYSSMBEFJ-UHFFFAOYSA-N 346.836 1.213 0 40 EDAB O=C1CNC(=O)N1c1cccc(NS(=O)(=O)c2ccccc2)c1 32598937 VPUOYEJVXKBCEM-UHFFFAOYSA-N 331.353 1.544 0 40 EDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102062510 HOHXUPJXAPUKSF-SLEUVZQESA-N 336.413 1.886 0 40 EDAB C[C@@H](Sc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)NC2=O 21473385 LYUKBBNSPAFZIO-LLVKDONJSA-N 333.413 1.368 0 40 EDAB O=C(N[C@H]1[C@@H]2c3ccccc3C[C@H]21)N1CCCN(C(=O)C2CC2)CC1 102312754 LSSGVKUINDNFSE-KZNAEPCWSA-N 339.439 1.979 0 40 EDAB O=C(c1cn(-c2ccccc2)nn1)N1CCN(Cc2ccccn2)CC1 32823644 PSXPBWDPYKIZBS-UHFFFAOYSA-N 348.410 1.620 0 40 EDAB C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 32902518 DQFKEAZHLKHXCF-OLZOCXBDSA-N 343.431 1.995 0 40 EDAB CCCCn1nc(C(=O)NCc2ccc(C(=O)OC)cc2)ccc1=O 32999839 NDUFTYCHEPKIJU-UHFFFAOYSA-N 343.383 1.760 0 40 EDAB CCS(=O)(=O)NC1CCN(C(=O)CCc2ccsc2)CC1 32928658 VTXRRAKMBMNEKA-UHFFFAOYSA-N 330.475 1.611 0 40 EDAB Cc1ccccc1-c1nnn(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)n1 53115218 WYYMEGNDNBMZIW-HOTGVXAUSA-N 341.415 1.819 0 40 EDAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O 53140642 SUUHMLMRYNRYHD-AWEZNQCLSA-N 344.820 1.542 0 40 EDAB Cn1cc(-c2cc(C(F)(F)F)nc(N3CCC(N)CC3)n2)cn1 12396772 RSEQJMFYFAWTTB-UHFFFAOYSA-N 326.326 1.823 0 40 EDAB C[C@H](C1CC1)N(C(=O)Cn1c(-c2cccnc2)noc1=O)C1CC1 76699638 YIVJQUJGHKAYJO-LLVKDONJSA-N 328.372 1.688 0 40 EDAB CC(=O)Nc1nc(CN(C)[C@@H](C(N)=O)c2cccc(F)c2)cs1 78949964 WGBPUFZJHKYLFM-CYBMUJFWSA-N 336.392 1.899 0 40 EDAB CN(C(=O)CN1CCCc2cccc(F)c21)[C@@H]1CCS(=O)(=O)C1 22846550 CZCFIOLVLKIBER-CYBMUJFWSA-N 340.420 1.224 0 40 EDAB CO[C@@]1(C)C[C@@H](NC(=O)c2cnc3sc(C)cn3c2=O)C1(C)C 92945671 PGWKKCQGJLDTQD-BZNIZROVSA-N 335.429 1.998 0 40 EDAB CCCCC[C@@H](C)CC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 79585538 CXVITJMJXYRSIL-KGLIPLIRSA-N 333.498 1.625 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCCCNC1=O 42480478 APQSCBJTXOQHHA-QGZVFWFLSA-N 340.427 1.817 0 40 EDAB COCCCn1c(COc2ccccc2)nnc1SCC(N)=O 4161320 JDLZYEXTOWRTDK-UHFFFAOYSA-N 336.417 1.471 0 40 EDAB CCOc1ccc(NC(=O)C[C@H](NC[C@H]2CCCO2)C(=O)O)cc1 4318875 UGKFLDMVKLTRSI-CABCVRRESA-N 336.388 1.636 0 40 EDAB COC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 23722391 NABBRIMHDCCGBP-LLVKDONJSA-N 328.434 1.528 0 40 EDAB COCCCn1nnnc1SCC(=O)N1c2ccccc2C[C@H]1C 4883414 OYYOGOABSJEUMA-GFCCVEGCSA-N 347.444 1.780 0 40 EDAB O=C(COc1ccc(Cl)cc1)NCCNC(=O)c1cnccn1 4985315 WSFAXMIORCLGHT-UHFFFAOYSA-N 334.763 1.055 0 40 EDAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC3CCCC3)=C2)cc1 6800264 ZHQYTIMNYDWDBG-UHFFFAOYSA-N 347.440 1.917 0 40 EDAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(OC)cc2)n1 6890894 YREHDJZZPDMHOD-UHFFFAOYSA-N 334.405 1.609 0 40 EDAB Cc1nsc(N)c1C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 24761205 GKSVIBRUBXSACE-MRVPVSSYSA-N 348.384 1.317 0 40 EDAB CCOC(=O)C1=C(COC)Nc2ncnn2[C@H]1c1cccc(F)c1 8476576 KAJJSHHVBVIXHV-AWEZNQCLSA-N 332.335 1.896 0 40 EDAB Cn1cc(CN2CCCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)cn1 106660626 NWQVHUNVKRYNPA-HZPDHXFCSA-N 328.416 1.851 0 40 EDAB Cc1nc(CN2CCC[C@H](NC[C@@H](O)COc3ccccc3)C2)no1 106779771 PVWAZLCTEVDTRX-JKSUJKDBSA-N 346.431 1.372 0 40 EDAB Cn1nnc2c1[C@@H](COCc1ccncc1)CN(C[C@H]1CCOC1)C2 107723561 VZWVRSRBTLVYAF-HZPDHXFCSA-N 343.431 1.363 0 40 EDAB O=C1C[C@H](Cc2ccc(C(=O)NC[C@H]3Cc4ccccc43)cc2)C(=O)N1 102715173 XRSMFIKOCVBQPN-DLBZAZTESA-N 348.402 1.962 0 40 EDAB NC(=O)Cn1cc(NC(=O)c2cccc(Oc3ccncc3)c2)cn1 95396079 CJAHHUUEWLAECH-UHFFFAOYSA-N 337.339 1.808 0 40 EDAB COCCOCC(=O)Nc1cc2c(cc1Br)OCCO2 25922641 ILKROWWXNKZCFK-UHFFFAOYSA-N 346.177 1.822 0 40 EDAB O=C(CCn1cccn1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 108106973 LHQOYXPPOGPYGK-QZTJIDSGSA-N 340.427 1.385 0 40 EDAB CCN1CC[C@H](N(C)CCOc2cccc(S(C)(=O)=O)c2)C1 95399434 RBIXAVWRVQCJCE-AWEZNQCLSA-N 326.462 1.495 0 40 EDAB COC(=O)c1ccc(OC)cc1NC(=O)CCn1ccccc1=O 95394286 NNCCHVZWXVAQJB-UHFFFAOYSA-N 330.340 1.672 0 40 EDAB Cc1nnc(SCc2cc(=O)n3nc(C(F)(F)F)nc3[nH]2)s1 105329846 BVUFSYZWHRHVOP-UHFFFAOYSA-N 348.335 1.889 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)n1 76046112 JXKKQAVZUBMWNI-TZMCWYRMSA-N 345.403 1.520 0 40 EDAB C[C@@H](C(=O)Nc1nnc(C2CC2)s1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 12690637 OELFXUVMDHGKKB-INTQDDNPSA-N 346.412 1.694 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N1C[C@H](C)O[C@@H](C)C1 48244143 KFXZFTNCAZCISG-RYUDHWBXSA-N 342.399 1.319 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)c1sccc1-n1cnnn1 58103271 OKUNTPXBRFKRJQ-NSHDSACASA-N 327.369 1.457 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(Cc2nnnn2C2CC2)CC1 58183933 BDEXZTQDYVMRDR-UHFFFAOYSA-N 340.431 1.203 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)NC[C@@H]1CCOC1)c1cccc(F)c1 48255441 MSXQPLAJGGMGOS-WFASDCNBSA-N 332.379 1.984 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC[C@H](c2nncn2C)C1 48273262 MOYVIGXLGNXZSW-XEZPLFJOSA-N 342.399 1.750 0 40 EDAB COc1cccc(CNC(=O)[C@@H](C)S(=O)(=O)C[C@H]2CCCO2)c1 44909267 RDEWPLJYASLMTN-IUODEOHRSA-N 341.429 1.294 0 40 EDAB CCNC(=O)NC(=O)CN1CCCN(Cc2ccccc2F)CC1 58315694 ZZYVQFVWEBHIEV-UHFFFAOYSA-N 336.411 1.179 0 40 EDAB O=C(COC(=O)c1ccc(Cn2cccn2)cc1)NCc1ccco1 10643333 PAXQSYXNGXIPQJ-UHFFFAOYSA-N 339.351 1.998 0 40 EDAB O=C(O)Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 2340123 XNDAMAZPQUYEHU-UHFFFAOYSA-N 348.336 1.549 0 40 EDAB CN1C(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)N(C)C1=S 111674675 NFXJIJLAYGRDKO-QPEQYQDCSA-N 328.397 1.156 0 40 EDAB CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccsc1 29114505 FQMODEPCTUAJLI-OAHLLOKOSA-N 345.424 1.459 0 40 EDAB CCCn1nc(C(=O)NCc2ccnc(N3CCCC3)c2)ccc1=O 29553150 YGEBFKSVORIYTP-UHFFFAOYSA-N 341.415 1.579 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC 13140912 LBBNHJZTYKIJIB-JTQLQIEISA-N 343.401 1.727 0 40 EDAB O=C(NC[C@@]1(O)CCOC1)Nc1ccc2[nH]c(C(F)F)nc2c1 93351404 FWJLOYVGTKKKFP-AWEZNQCLSA-N 326.303 1.773 0 40 EDAB C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(CNS(C)(=O)=O)o1 84762966 UCNLZQLUSVUCBG-ZBEGNZNMSA-N 348.424 1.992 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O 21733078 OTLAJIASUKHNTP-KRWDZBQOSA-N 345.330 1.502 0 40 EDAB O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cccnc1 13692585 HJVKGUKNECNXCV-UHFFFAOYSA-N 346.350 1.434 0 40 EDAB COC(=O)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 64844577 DXYJDHSYZSCYCK-HNNXBMFYSA-N 347.392 1.734 0 40 EDAB CCOc1ncnc2c1CN(C[C@@H](O)COc1ccc(C)cc1)CC2 65457956 UGYVMEVJGMZBJV-OAHLLOKOSA-N 343.427 1.982 0 40 EDAB O=C(NC[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)o1 65414206 DVNUSCORCRLIKP-ZDUSSCGKSA-N 341.839 1.317 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NC(C)C)cc1 14245438 XPDBIPBUTOAACV-UHFFFAOYSA-N 340.445 1.815 0 40 EDAB CC[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1)C(=O)O 170575729 WQUXYCROJMQTIA-RYUDHWBXSA-N 334.372 1.336 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CN[C@@]1(C)CCS(=O)(=O)C1 9337761 GYLCQLZRBFLJCX-AWEZNQCLSA-N 346.836 1.454 0 40 EDAB CCc1nnc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)s1 5509192 PVRYVGJUTKCPFZ-UHFFFAOYSA-N 325.415 1.897 0 40 EDAB CC(C)CNC(=O)[C@H](C)NC(=O)N1CCn2c1nc1ccccc12 6670106 SXVYIUAFPFZWSS-LBPRGKRZSA-N 329.404 1.727 0 40 EDAB Cc1cc(C)nc(NN[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)n1 4738682 VNGCDMODMDPQGU-CYBMUJFWSA-N 329.335 1.481 0 40 EDAB COC(=O)c1ccccc1NC(C)=C1C(=O)N(C)C(=O)N(C)C1=O 9481853 HWBPOCDBLFMABM-UHFFFAOYSA-N 331.328 1.210 0 40 EDAB CCOC(=O)C1CCN(C[C@@H](O)COc2ccc(OC)cc2)CC1 5788465 LGARZTXHQIZVIY-OAHLLOKOSA-N 337.416 1.710 0 40 EDAB CC(C)n1nccc1-c1nc(C(=O)NCCCCO)c2cnccn12 306136213 PMZRXZQYFUZDFH-UHFFFAOYSA-N 342.403 1.676 0 40 EDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2 15267372 PKZCFLTXOUFVBV-UHFFFAOYSA-N 342.307 1.513 0 40 EDAB CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)c1nncn1C 67530908 BUHKUQSGDNQQQC-JTQLQIEISA-N 349.366 1.557 0 40 EDAB NC(=O)CCN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 7203796 CDGLUVPXKJQHCU-IBGZPJMESA-N 337.379 1.552 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)N1CC[C@H](Cc2ccccc2)C1 96437717 VKMVJMHVKCRTMQ-HZPDHXFCSA-N 336.457 1.695 0 40 EDAB Cc1ccsc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 7886198 INJPTXGYUCPATQ-UHFFFAOYSA-N 341.410 1.940 0 40 EDAB CC(C)NC(=O)CN(C)CC(=O)Nc1ccc2c(c1)OCCCO2 7923864 SZYJRKFUPBGIHE-UHFFFAOYSA-N 335.404 1.243 0 40 EDAB CN(CCNC(=O)N1CCC(N2CCCC2=O)CC1)c1ccccc1 71857208 OAWLKKQAEFHQPT-UHFFFAOYSA-N 344.459 1.919 0 40 EDAB CC(C)(C)c1nc(CN2CCN(C(=O)c3cn[nH]n3)CC2)cs1 71819873 HIHUUPSTYRESEF-UHFFFAOYSA-N 334.449 1.517 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@H]2Cn2cccn2)CN1Cc1ccco1 71866428 IICVEJPCQBANIL-CABCVRRESA-N 342.399 1.516 0 40 EDAB CCOc1cccc2c1CC[C@H]2NC(=O)N1CCS(=O)(=O)CC1 71803984 DGJGVRBNBJVVGI-CQSZACIVSA-N 338.429 1.513 0 40 EDAB C[C@H]1CC(=O)NCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 71889445 CGLUFMWSHJSTBN-VIFPVBQESA-N 336.335 1.695 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)C1CCN(c2cnccn2)CC1 69521164 BSGGUIRAHLLLBW-IRXDYDNUSA-N 343.475 1.778 0 40 EDAB Cc1noc([C@@H]2CCCN(Cc3nc4ccccc4c(=O)[nH]3)C2)n1 69518602 IVHOSPMDMZJPSS-GFCCVEGCSA-N 325.372 1.994 0 40 EDAB COc1cc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)ncn1 639048880 BRTLFXQDMHQDBW-UHFFFAOYSA-N 342.447 1.420 0 40 EDAB Cc1ccc(-c2nc(CCNC(=O)N3CC[C@@H](C(N)=O)C3)co2)cc1 69700842 QJYCZASYQRQBGR-CQSZACIVSA-N 342.399 1.709 0 40 EDAB Cc1cccc(CC(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 69777669 JGAHFBZSTGHRDH-UHFFFAOYSA-N 347.392 1.814 0 40 EDAB CN1CCC(N(C)CCN(C)C(=O)CN(C)c2ccccc2)CC1 71904004 ZJGYECLFEOVNQX-UHFFFAOYSA-N 332.492 1.607 0 40 EDAB CC(C)CCO[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 69817190 OXBSYATVYIVCNJ-AWEZNQCLSA-N 349.431 1.111 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)NCCOc1ccccc1 69925041 STUZAXANONIARC-INIZCTEOSA-N 343.431 1.185 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O 8704976 TYGMVRDGHHFSSA-CYBMUJFWSA-N 335.429 1.915 0 40 EDAB C[C@@H](C(=O)NCc1ccco1)N(c1ccc(F)cc1)S(C)(=O)=O 9699535 QVXXWNVLWCSFAU-NSHDSACASA-N 340.376 1.890 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1c(O)c2c([nH]c1=O)CCCC2 8837545 FRTYKRCSCNWAFZ-UHFFFAOYSA-N 342.351 1.618 0 40 EDAB biogenic c1cnc(NC[C@H]2CN(CC3CCOCC3)Cc3ccnn3C2)nc1 306136743 QBTWCWPWPHEZBG-INIZCTEOSA-N 342.447 1.644 0 40 EDAB O[C@H](COCc1ccc2c(c1)OCO2)CN1CC(n2cccn2)C1 72254020 NBBDTDLEFCXPHF-HNNXBMFYSA-N 331.372 1.046 0 40 EDAB COc1cccc2c1OC[C@H](C(=O)N[C@@H]1CCc3nc(C)cn3C1)C2 72235897 XICKWSPCCBKOIG-HUUCEWRRSA-N 341.411 1.882 0 40 EDAB Cn1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)n1 72269165 BQKYEIIVTFELIY-RYUDHWBXSA-N 346.353 1.110 0 40 EDAB CCC(=O)N1CCc2cc(C(=O)N[C@H](CC(N)=O)C3CC3)ccc21 72297849 ZSQJIQIULGUPLM-CQSZACIVSA-N 329.400 1.370 0 40 EDAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2noc(C3CC3)n2)C1 84259259 NGOHWBQTYQDFHR-CQSZACIVSA-N 345.403 1.866 0 40 EDAB Cn1cc(CNC[C@@H](O)CN2CCCCC2)c(-c2cccnc2)n1 97160069 YJRKGDHSLCNAOA-QGZVFWFLSA-N 329.448 1.419 0 40 EDAB C[C@H](OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)c1cnccn1 72310637 QMIGMUPRLWPDRO-QWRGUYRKSA-N 332.360 1.334 0 40 EDAB C[C@H](NC(=O)CN1CCn2ccnc2C1)c1ccc2c(c1)OCCO2 97201600 REOXQROYIQGORH-ZDUSSCGKSA-N 342.399 1.347 0 40 EDAB O=C(Nc1cnn(CC(F)F)c1)N1CCN(Cc2ccon2)CC1 72545770 PCFGHOZYNCWMRH-UHFFFAOYSA-N 340.334 1.486 0 40 EDAB Cc1oc(C(=O)N2CCC[C@@H]2c2cccn2C)cc1S(N)(=O)=O 88574367 TWUPPPUMJAMSGA-GFCCVEGCSA-N 337.401 1.551 0 40 EDAB Cc1ccccc1-n1nccc1NC(=O)NCCN1CCOCC1 95984916 SDJXCIAEHGPBQO-UHFFFAOYSA-N 329.404 1.634 0 40 EDAB COC(CN(CCCO)C(=O)Nc1ccn(-c2ccccc2)n1)OC 95942393 KUVDZYAFSVEJGC-UHFFFAOYSA-N 348.403 1.708 0 40 EDAB CN1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H]1c1ccc(Cl)c(F)c1 89375088 ZJAPYASBSCMIMC-NFAWXSAZSA-N 339.798 1.619 0 40 EDAB CN(C(=O)NCCCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 89335167 NWPBJOMMGZPQHZ-AWEZNQCLSA-N 340.445 1.674 0 40 EDAB CC(C)c1nc(S(=O)(=O)NCc2cccc(-n3cncn3)c2)c[nH]1 75091945 ACQRSVSPJOMVOY-UHFFFAOYSA-N 346.416 1.592 0 40 EDAB CCOC(=O)CCCN1CCCc2c1cccc2S(N)(=O)=O 75092777 MXJYTBGCEWBWOA-UHFFFAOYSA-N 326.418 1.430 0 40 EDAB Cc1c(C(=O)N2CCS(=O)(=O)C(C)(C)C2)cnn1-c1ccccc1 89544958 NVXLKSLGBCMQCC-UHFFFAOYSA-N 347.440 1.830 0 40 EDAB C[C@H](NC(=O)Cn1ccccc1=O)c1ccc2c(c1)NC(=O)CO2 89905101 KKTJPCMBVZHLDF-NSHDSACASA-N 327.340 1.057 0 40 EDAB O=C(CCC(=O)N1CCN(CCn2cccn2)CC1)c1ccccc1 62153579 QPAJJSNLRKFVTO-UHFFFAOYSA-N 340.427 1.690 0 40 EDAB CCS(=O)(=O)NCCN1CCC[C@@H]1c1nc2c(n1C)CCCC2 548022244 XFNDFUAJFWSEGX-OAHLLOKOSA-N 340.493 1.375 0 40 EDAB COCCCNC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 22273118 PIMMTNCVNOUSLU-UHFFFAOYSA-N 328.434 1.222 0 40 EDAB CCCOc1ccc(Cc2c(O)nc(N)[nH]c2=O)cc1C(=O)OC 26952764 AJACIHUUABZRFL-UHFFFAOYSA-N 333.344 1.224 0 40 EDAB Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1cc(C(=O)O)co1 516179046 VLAFLNXDGQUBHD-SSDOTTSWSA-N 328.346 1.665 0 40 EDAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@H]1C2 306130745 JOHILYODECFVKI-VXGBXAGGSA-N 327.388 1.068 0 40 EDAB O=C(CN1CCC[C@H](C(=O)NCC(F)(F)F)C1)NC1CCCC1 75928329 MDGBSRMNUWRVKB-NSHDSACASA-N 335.370 1.436 0 40 EDAB COC[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 218101206 UEGKXVRTHSEBQD-BZSNNMDCSA-N 347.436 1.979 0 40 EDAB CCOC(=O)[C@H]1CCCCN1CC(=O)NCCOc1ccccc1 31255023 JGIZDCPEBBCDQP-MRXNPFEDSA-N 334.416 1.599 0 40 EDAB CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)O 72328128 CUWWNJJFZCUGAB-UHFFFAOYSA-N 338.364 1.795 0 40 EDAB O=C(CCNc1ccncc1Cl)N1CCN(c2ncccn2)CC1 80977714 XAVINAUSDXUPDJ-UHFFFAOYSA-N 346.822 1.676 0 40 EDAB CC(C)[C@@H](NC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cn1 195555450 AHHLIFBAJDYKOK-OAHLLOKOSA-N 329.441 1.931 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)o1 574153619 BCCBHNQGVQSXHB-NSHDSACASA-N 343.382 1.802 0 40 EDAB Cc1cc(=O)n(CC(=O)NCc2cccnc2-c2cccs2)cn1 225761829 YHDHXDDQUHEZFH-UHFFFAOYSA-N 340.408 1.992 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2cc3n(n2)CCCO3)c1 577878057 GVFDBNTUDMGUIV-ZDUSSCGKSA-N 343.383 1.952 0 40 EDAB COCCNC(=O)CCCNS(=O)(=O)c1ccc(Cl)cc1 95116902 ROUPZAWYZGKVMB-UHFFFAOYSA-N 334.825 1.161 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 583616410 NXFBEOMVHXHBDQ-YUTCNCBUSA-N 329.393 1.376 0 40 EDAB O=C(NCCN1CCCC1)[C@H]1C[C@H]2[C@H](CCN2Cc2cccs2)O1 96183683 KVRQIHWSFAUYTG-YESZJQIVSA-N 349.500 1.692 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](CS(=O)(=O)NCc2ccoc2)C1 585115867 WUUHWRFELCMLLB-ZDUSSCGKSA-N 344.433 1.956 0 40 EDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(-c2ncn(C)n2)cc1 96500012 CEIOFGARELGNFW-UHFFFAOYSA-N 343.431 1.859 0 40 EDAB CNC(=O)c1cccc(N2CCC[C@@H](c3nnc4ccccn34)C2)n1 96426885 ZTYVKHWLIJGJEI-CYBMUJFWSA-N 336.399 1.868 0 40 EDAB NC(=O)Cn1cc(CN2CCOc3c2cccc3C(F)(F)F)nn1 585138641 VQZKVPXRUOPJQS-UHFFFAOYSA-N 341.293 1.181 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@H]3CO[C@H](CN(C)C)[C@H]3C2)cc1 96185404 OFMHFUUXGVEGPB-BHYGNILZSA-N 338.473 1.582 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)nn1-c1ccccc1 96452998 CGOUHJCYHMZZOI-HUUCEWRRSA-N 326.400 1.955 0 40 EDAB COC1([C@@H](C)NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CCC1 580527464 YGJZDYQAXJRHCY-NVXWUHKLSA-N 332.444 1.961 0 40 EDAB O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccco1)N1CCCC1 96041668 RNTPZXWQVURBPD-LZLYRXPVSA-N 334.416 1.650 0 40 EDAB CCCNS(=O)(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 331596419 CLXWVIXUGKJPGC-AWEZNQCLSA-N 349.460 1.896 0 40 EDAB COCCCn1cnnc1[C@@H](C)N1CC2(CCNCC2)CCC1=O 91849149 JIZJZLPIOXZFIW-CQSZACIVSA-N 335.452 1.368 0 40 EDAB O=C(C1CCOCC1)N1CCOC[C@@]2(CCN(Cc3ccco3)C2)C1 96202167 MELZWGVYBUUKNR-LJQANCHMSA-N 348.443 1.757 0 40 EDAB CN(C)C(=O)CN1CC[C@]2(CCCN(Cc3ccsc3)C2)C1=O 96224171 ZDRYHRYMTRQVDU-KRWDZBQOSA-N 335.473 1.651 0 40 EDAB c1csc(CNC[C@H]2Cn3nnc(-c4cncnc4)c3CO2)c1 96199262 USHDFPCFVKGNNJ-LBPRGKRZSA-N 328.401 1.485 0 40 EDAB C[C@@H](CNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)CN1CCOCC1 332867282 VZONUFLJLCUVIS-LSDHHAIUSA-N 335.452 1.267 0 40 EDAB CN(C)C(=O)NCCNC(=O)C1(C)CCN(Cc2ccccc2)CC1 97100866 UKKYDULFZXDOKU-UHFFFAOYSA-N 346.475 1.676 0 40 EDAB Cc1ccoc1C(=O)N1Cc2nccn2C[C@H](Cn2cncn2)C1 96188630 PXLJZGGRXWZEOS-ZDUSSCGKSA-N 326.360 1.348 0 40 EDAB Cn1cc(CCC(=O)NCCc2ccccc2N2CCOCC2)cn1 582661340 HDNILAGXQLIHIG-UHFFFAOYSA-N 342.443 1.548 0 40 EDAB CO[C@@H]1COCC[C@H]1N1CCN(C(=O)c2c(C)cccc2C)CC1 585088016 HGMQNVPXGOZCLH-IAGOWNOFSA-N 332.444 1.865 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1[nH]ncc1Br 247817406 GQHNVUSDBORATL-ZRUAGYDASA-N 342.193 1.490 0 40 EDAB COCC(=O)NC[C@H]1CN(Cc2nc(C)cs2)Cc2ccnn2C1 247982114 XVAZTGDWUGJMCW-ZDUSSCGKSA-N 349.460 1.043 0 40 EDAB CN(C)C(=O)[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 247951909 CBVHTYSZZNHDAE-CYBMUJFWSA-N 342.399 1.336 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)c2ccsc2)C1 257293421 QPKADLGKKPLJFI-JTQLQIEISA-N 339.442 1.895 0 40 EDAB COc1ccccc1C(=O)N1CCN2[C@H](CN(C(C)=O)CC2(C)C)C1 253403917 QQSXTRYOVPDVFQ-HNNXBMFYSA-N 345.443 1.462 0 40 EDAB biogenic,in-vitro CC(C)OC(=O)C1CCN(Cc2cncc(-c3nn[nH]n3)c2)CC1 1603340398 AKVBHXVMGHPYPR-UHFFFAOYSA-N 330.392 1.425 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@H](Cc3ccncn3)C2)cc1 257238121 HJRJHPHHZKYCJJ-OAHLLOKOSA-N 347.440 1.665 0 40 EDAB O=C([C@@H]1CCCN(Cn2c(=O)oc3ccccc32)C1)N1CCOCC1 25473289 DKPROGKVVNZCIB-CQSZACIVSA-N 345.399 1.123 0 40 EDAB CN[C@@H]1CO[C@@H]2CCN(C(=O)c3cc(C)cs3)C[C@@H]2C[C@@]1(C)O 257336626 YPGMOQZSSSAPJH-TZDHZFECSA-N 338.473 1.647 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CCCC2=O)[C@@H](c2ccccc2)C1 257228888 FVSKNRBMEFXTRJ-MRXNPFEDSA-N 329.400 1.041 0 40 EDAB Cc1cc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)nc(C)n1 257285008 PFFWCWYOMPRDIU-MRXNPFEDSA-N 333.413 1.856 0 40 EDAB O=C(c1cc2c(nc1O)CCCC2)N1CC[C@@](O)(CN2CCCC2)C1 257212132 CCBBVAXLOJQCKN-LJQANCHMSA-N 345.443 1.339 0 40 EDAB COC[C@H](NC(=O)NC[C@@H](O)c1cc(C)cc(C)c1)[C@H]1CCCO1 252507545 WOHBJUCZNVDBCD-GVDBMIGSSA-N 336.432 1.830 0 40 EDAB Cc1cc(N2CCC[C@@H](Cc3cc(C(N)=O)nc(C)n3)C2)ncn1 257250408 JMJUGXYJANWWOO-ZDUSSCGKSA-N 326.404 1.441 0 40 EDAB CCc1nccn1CC(=O)N1[C@@H]2CN(C(C)=O)[C@@H]3CCC[C@H]1[C@]3(C)C2 257322506 WGGCGKAZBBXWES-CYJAXWMASA-N 344.459 1.836 0 40 EDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)Cn2cccn2)n1 257273461 NGQRYKJQBBNDIP-MRXNPFEDSA-N 327.388 1.278 0 40 EDAB CCCc1ccc(S(=O)(=O)Nc2cc3n(n2)CCN(C)C3=O)cc1 1615550125 LCKSDZMXBRIDEO-UHFFFAOYSA-N 348.428 1.722 0 40 EDAB Cc1cc(=O)n(CCNC(=O)COc2cccc3ccccc23)cn1 90592342 BGNLUINFIMSCPD-UHFFFAOYSA-N 337.379 1.900 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4nncn4n3)C2)nc1 298770676 DXSPJVPYDYASBO-CYBMUJFWSA-N 337.387 1.683 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)c(OC)c[nH]1)CC2 604404187 DYVDGLSOGUDKGX-UHFFFAOYSA-N 344.367 1.599 0 40 EDAB biogenic COC(=O)[C@@H]1[C@@H]2[C@H](Br)C(=O)N(C(=O)OC(C)(C)C)[C@@H]21 384363464 IDBRBQSVIDEUTJ-NGJRWZKOSA-N 334.166 1.315 0 40 EDAB Cn1cc(-c2noc(CNC(=O)c3cccc4c3OCCO4)n2)cn1 390829929 HOFFSGWUVRVYJM-UHFFFAOYSA-N 341.327 1.171 0 40 EDAB Cc1cc(NC(=O)N[C@H]2CNC(=O)C2)cnc1N1CCCC[C@@H]1C 390835489 OPMSEWAGUIWFQY-GXTWGEPZSA-N 331.420 1.779 0 40 EDAB CC(C)CCC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cnccn3)[C@H]2C1 575406062 UZZAKKWAHCLNKF-SQWLQELKSA-N 346.431 1.116 0 40 EDAB C[C@H](Oc1ccccc1F)C(=O)NCCn1nc2c(cc1=O)CCC2 575605822 AHOUSHNIZOXRMG-LBPRGKRZSA-N 345.374 1.455 0 40 EDAB CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2nc(C(=O)O)co2)C1 585134010 AMFJFPAXWKZURM-MNOVXSKESA-N 337.376 1.274 0 40 EDAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2cc(F)cc(F)c2)C1 585279674 XBBQSFPSHKAOAT-MRXNPFEDSA-N 326.343 1.852 0 40 EDAB O=C(c1ccncc1)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 585275299 CLXYXIAHBXXEDO-SFHVURJKSA-N 330.359 1.667 0 40 EDAB CC(C)C[C@H](NC(=O)c1cc(=O)n(C)cn1)C(=O)Nc1nccs1 585141759 XOUBCGMKOVSVSC-NSHDSACASA-N 349.416 1.020 0 40 EDAB COc1ccc([C@@H]2[C@H](C(=O)O)CCC(=O)N2Cc2ccnn2C)cc1 585139784 IYGLKVNMLWMXTJ-NVXWUHKLSA-N 343.383 1.993 0 40 EDAB Cc1ccc(O)c(NC(=O)[C@@]2(N(C)C)COc3ccccc3C2)n1 1548696760 GUFXCDACKUVAQQ-SFHVURJKSA-N 327.384 1.970 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cccc(Cl)c1 68323463 LKYAEHAWHLBMRY-ZDUSSCGKSA-N 340.807 1.774 0 40 EDAB CCOC(=O)C1CCN(CC(=O)NCc2cccc(OC)c2)CC1 32758065 JSTWFOQDIVSTLZ-UHFFFAOYSA-N 334.416 1.587 0 40 EDAB C[C@H]1CN(C2CCN(C(=O)c3cnn4cccnc34)CC2)CCO1 71821639 XBBJGCXWFCRRCN-ZDUSSCGKSA-N 329.404 1.055 0 40 EDAB NCCCCCc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 1772768772 ZZXXBKHLDNFHCQ-OAHLLOKOSA-N 329.400 1.119 0 40 EDAB COc1ccc(NC(=O)NCCC(=O)N2C[C@H](C)O[C@H](C)C2)cn1 47524118 IHRLKQVQVTXRKZ-TXEJJXNPSA-N 336.392 1.238 0 40 EDAB COc1cc(N2CCN(c3nc4cccnc4n3C)CC2=O)ccn1 1776008124 ZYIMKCRXPGQRNU-UHFFFAOYSA-N 338.371 1.225 0 40 EDAB C[C@@H](SCCN1C(=O)NC(C)(C)C1=O)C(=O)NC1CCCCC1 56242170 GBAYISSIIKOFFD-LLVKDONJSA-N 341.477 1.887 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CCCN(c3ncccn3)C2)no1 76043091 FTJVZRDSLBBWOC-ZIAGYGMSSA-N 342.403 1.748 0 40 EDAB CCN1OC2(CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1=O 1549166215 BNJOECAMQOBVIR-UHFFFAOYSA-N 348.399 1.862 0 40 EDAB CCOC(=O)C(C)(C)CCS(=O)(=O)N(C)CCCSC 1615613991 KLLWXCKFTZBMFU-UHFFFAOYSA-N 325.496 1.981 0 40 EDAB Cn1cncc1CN1CCC2(CC1)CN(S(C)(=O)=O)C(C)(C)C2 1615190929 DODFWQNEBDDXSD-UHFFFAOYSA-N 340.493 1.446 0 40 EDAB CCOC(=O)[C@@H]1C(=O)N[C@H]2CCC(=O)C[C@@]21c1ccc2c(c1)OCO2 5028794 CGRUAOXPPAGOCD-RLFYNMQTSA-N 345.351 1.084 0 40 EDAB CCOC(=O)CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 12086326 UMDURKJREQZTQY-GOSISDBHSA-N 331.368 1.966 0 40 EDAB COc1ccc(/C=C2\NC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC 15281416 YGYWXVNGGTVCJL-OEMOTLHWSA-N 348.424 1.940 0 40 EDAB Cc1cc(S(=O)(=O)NCCc2ccccc2)ccc1-n1cnnn1 15936124 LIXAAAMBNRZBHL-UHFFFAOYSA-N 343.412 1.492 0 40 EDAB CCOC(=O)C(C(=O)OCC)c1cc(OC)c(OC)c(OC)c1 2525566 NGQMPJLAVXJZAZ-UHFFFAOYSA-N 326.345 1.922 0 40 EDAB COC(=O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H]1c1ccccc1F 12143304 NRZHGJVYETWWPZ-YUTCNCBUSA-N 348.374 1.019 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)C1CN(c2cc(-n3cccn3)ncn2)C1 253472310 LIBMSHTXWKWZLV-DZGCQCFKSA-N 340.431 1.793 0 40 EDAB COc1cc(CN[C@H](C)[C@H]2CCCO2)cc(Cl)c1OCC(N)=O 30908467 HSGMVLUDZOHUHK-ZWNOBZJWSA-N 342.823 1.870 0 40 EDAB COC1(CNC(=O)c2cc(C)oc2C)CCN(S(C)(=O)=O)CC1 1889149418 WOHCJGXHPBZNAW-UHFFFAOYSA-N 344.433 1.067 0 40 EDAB COc1ccc(C(=O)N2CCC(c3nncn3C)CC2)cc1OC 24695595 BAWKYDGOVXKNFT-UHFFFAOYSA-N 330.388 1.852 0 40 EDAB CCn1cc(Br)c(C(=O)NCc2cn(C)nc2C)n1 28234799 PJSQYQFCFFZNLO-UHFFFAOYSA-N 326.198 1.637 0 40 EDAB CN(CC(=O)NC[C@@H]1CCCO1)Cc1ccc(Br)o1 30973754 KHCXRHAUKRXENJ-JTQLQIEISA-N 331.210 1.769 0 40 EDAB COCCN1CCC2(C1)CN(C(=O)c1ccc(OC)cc1OC)C2 1073148880 MGYVKAFBTQFZOC-UHFFFAOYSA-N 334.416 1.498 0 40 EDAB COCCN1CCC[C@]12CCCN(C(=O)Cc1ccc(F)cn1)C2 1614930869 CDCKTODYSRPBDG-SFHVURJKSA-N 335.423 1.867 0 40 EDAB CCn1cnc2c(N3CCN(c4ncnc(C)c4C)CC3)ncnc21 2087000739 WTBMEBOVRMXSKB-UHFFFAOYSA-N 338.419 1.580 0 40 EDAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](C)C(=O)O)ccc12 489187 MJYPAMOKFYGEPF-VHSXEESVSA-N 333.340 1.712 0 40 EDAB biogenic CCc1ccc(-c2nn(CC(N)=O)c(=O)c3nc(C)sc23)cc1 8956085 AOUXVKGSMZWDDC-UHFFFAOYSA-N 328.397 1.876 0 40 EDAB Cc1cc(C)cc(NC(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1 575605443 AMRKNKRDENEEOK-UHFFFAOYSA-N 343.435 1.942 0 40 EDAB O=C(NCC[C@H](CCO)c1ccccc1)C(=O)NCc1ccccc1 206628569 WDMYKZBFIWPPRZ-GOSISDBHSA-N 340.423 1.975 0 40 EDAB CNC(=O)Cc1ccc(NC(=O)c2csc(NC(C)=O)n2)cc1 30898661 XAFFOEXWJRPRIZ-UHFFFAOYSA-N 332.385 1.642 0 40 EDAB CN(C)C(=O)N1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 40088667 JAOXBEFNOMXLIU-UHFFFAOYSA-N 339.823 1.910 0 40 EDAB COc1ccccc1[C@H](O)CNC(=O)NCc1ccc2c(c1)OCO2 31098143 YCOJXEUXGGOEDI-CQSZACIVSA-N 344.367 1.957 0 40 EDAB CN(CC(=O)NCC1(N2CCOCC2)CCCCC1)Cc1ccco1 40465879 KNUYDMIUGDUHKG-UHFFFAOYSA-N 349.475 1.863 0 40 EDAB CN(C)c1cc(CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)ccn1 40512547 VEJQCYSIGVFDPY-OAHLLOKOSA-N 340.431 1.470 0 40 EDAB O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCO[C@@H]2CCCC[C@@H]21 40553801 HJOSVVGYDIMWKK-JKSUJKDBSA-N 345.374 1.706 0 40 EDAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 32674412 XQDGGCLEIAJLOW-INIZCTEOSA-N 339.413 1.134 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)C[C@H](NC(N)=O)c1ccccc1C 33213622 NQYAXGCGMGYJAL-LSDHHAIUSA-N 346.431 1.222 0 40 EDAB O=C(CCc1ccccc1Br)N1CCN(CCO)CC1 78564840 GDCJXGKSZATBAD-UHFFFAOYSA-N 341.249 1.518 0 40 EDAB Cc1cc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)no1 1332019 CFPSCCKTTHTZES-UHFFFAOYSA-N 345.384 1.667 0 40 EDAB CCn1c(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)nc2ccccc21 78837861 APMLBGRKQBOOHJ-GFCCVEGCSA-N 341.415 1.619 0 40 EDAB COCCn1cc(CCCC(=O)Nc2nn[nH]n2)c2ccccc21 79476089 AQERXBXADQQKBF-UHFFFAOYSA-N 328.376 1.762 0 40 EDAB CCOC(=O)c1c(NC(C)=O)sc(C(=O)N2CCOCC2)c1C 2796091 ZFRXXMFMDWNEEK-UHFFFAOYSA-N 340.401 1.664 0 40 EDAB C[C@H]1Oc2ccc(NC(=O)c3cccc(C(N)=O)c3)cc2NC1=O 23056158 UMZVPVZIKNEQQI-SECBINFHSA-N 325.324 1.757 0 40 EDAB O=c1n(CN(C[C@@H]2CCCO2)C[C@@H]2CCCO2)nc2ccccn12 54520424 NUCKVQMMTABWJT-GJZGRUSLSA-N 332.404 1.114 0 40 EDAB COc1ccccc1N1CCN(c2ccc(S(N)(=O)=O)cn2)CC1 23731280 RDNDCJOWOKFVMM-UHFFFAOYSA-N 348.428 1.064 0 40 EDAB CCOC(=O)NC(=O)COC(=O)c1cc(Br)ccc1O 6594955 JJJCYBJJQQUDNI-UHFFFAOYSA-N 346.133 1.584 0 40 EDAB Cc1c(C)c(C)c(S(=O)(=O)N(C)CC(=O)N(C)C)c(C)c1C 7309393 RQAWZYQQPRMORK-UHFFFAOYSA-N 326.462 1.937 0 40 EDAB CN(C)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 7813512 FVSAABZAANCTGX-MRXNPFEDSA-N 331.416 1.216 0 40 EDAB Cn1cc(CCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cn1 54842045 LZUCTIDRLOJQMU-UHFFFAOYSA-N 340.427 1.905 0 40 EDAB Cc1c(C(=O)Nc2cnn(C)c2)sc2nc3n(c(=O)c12)CCC3 24585246 ASNHZZJXNFHCMD-UHFFFAOYSA-N 329.385 1.698 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cnc3ccsc3c2)C1 97051871 GZQWOSHUKFHNRP-GFCCVEGCSA-N 325.459 1.810 0 40 EDAB O=C1C[C@H](c2ccc(Cl)cc2)N2N=C(NC(=O)C3CC3)NC2=N1 1271212 TZCIOOWERKTBCF-LLVKDONJSA-N 331.763 1.370 0 40 EDAB CN(C[C@H](O)c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 106572704 YSXGVMWRWMWMQX-GWCFXTLKSA-N 337.363 1.858 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc(CN2CCCC2)c1 106519124 KBCFGHJDFUENKT-RBUKOAKNSA-N 343.471 1.875 0 40 EDAB NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 106801457 LRYIAPJWBQSNLL-JLJPHGGASA-N 327.428 1.870 0 40 EDAB CC(=O)c1cc2c(cc1NC(=O)CCNC(=O)c1ccco1)OCO2 21363472 LNZYSSDJRBMCKB-UHFFFAOYSA-N 344.323 1.970 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@@H](c2ccccc2)O1 107342356 JWGPRVRFJUBPRF-HIFRSBDPSA-N 326.418 1.025 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(Cc2c(O)nnn2-c2ccccc2)C1 57086793 BXJXKJFBVSJRED-CYBMUJFWSA-N 345.403 1.683 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)o2)C1=O 108127909 FECLYBDBIHDCJQ-FMIVXFBMSA-N 333.344 1.336 0 40 EDAB O=C(CSc1nc2ncccn2n1)Nc1ccc2c(c1)OCCO2 10073395 DKNRGRXWTCILKT-UHFFFAOYSA-N 343.368 1.626 0 40 EDAB O=C(Nc1ccc(CC(=O)N2CCSCC2)cc1)c1cnsn1 58157763 ZVZFBSZGPQVUJV-UHFFFAOYSA-N 348.453 1.908 0 40 EDAB COC(=O)c1cc2ccccc2cc1OCC(=O)N1CCOCC1 44865853 RXPUUMNGXRADOX-UHFFFAOYSA-N 329.352 1.864 0 40 EDAB C[C@@H](CNC(=O)Cc1csc(-c2ncccn2)n1)Cn1cccn1 58277513 BNRGEBMYKQBJLB-LBPRGKRZSA-N 342.428 1.792 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)no1 72299307 XLSSCBIVJNAHOT-ZDUSSCGKSA-N 341.371 1.639 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cc2ccccc2F)CC1 58391470 HWJXNSAEKVRQSU-MRXNPFEDSA-N 333.407 1.309 0 40 EDAB Cc1cc(S(N)(=O)=O)sc1C(=O)N(C)Cc1ccccn1 58392878 LZWJQCRQZDCJKG-UHFFFAOYSA-N 325.415 1.371 0 40 EDAB CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 58341222 PJFNRGGZAYCOTL-CVEARBPZSA-N 349.862 1.724 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)o1 48238012 NQGYCGQPLANNRH-SNVBAGLBSA-N 326.374 1.922 0 40 EDAB CN1CCN(C[C@@H](NC(=O)NC[C@H]2CCOC2)c2ccccc2)CC1 72232609 DSYPKEJAGMSCCZ-SJLPKXTDSA-N 346.475 1.311 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(CCc2ccccn2)C1 84281226 RCXHUMRWUBINCN-MRXNPFEDSA-N 329.404 1.439 0 40 EDAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCCn2nccc21 36619550 RCDPMPJINOLITI-UHFFFAOYSA-N 331.348 1.691 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 29066097 UFQJJNXUWRYIEC-UHFFFAOYSA-N 326.418 1.714 0 40 EDAB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 172197838 FKYCLTAPLHENOI-GFCCVEGCSA-N 340.426 1.042 0 40 EDAB COC(=O)CNC(=O)c1cc(Br)ccc1OC(F)F 2791815 YETJZYNCUHUVFI-UHFFFAOYSA-N 338.104 1.953 0 40 EDAB Cc1cccnc1NC(=O)[C@H]1CCCN(c2ncnc3[nH]ncc23)C1 48325400 HTDCFEBNNPVVLI-LBPRGKRZSA-N 337.387 1.911 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)Nc2ncccc2C)c1 48326498 NOHGCJMKBBRZJY-UHFFFAOYSA-N 334.401 1.620 0 40 EDAB Cc1ccc(CNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cn1 49198069 SQSBGYSZQLAKTP-UHFFFAOYSA-N 337.379 1.969 0 40 EDAB CC(C)(C)OC(=O)NN1CC(=O)N2Cc3ccccc3C[C@@H]2C1=O 4038241 SBGYHJWIDROVMZ-CYBMUJFWSA-N 331.372 1.222 0 40 EDAB biogenic CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H](C)c2noc(C)n2)cc1 97229151 JSHZBTXVFOJNNF-SECBINFHSA-N 338.389 1.400 0 40 EDAB C[C@H]1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)C[C@@H]1O 93351284 HIYPTCHXJSTTQQ-YOEHRIQHSA-N 328.416 1.827 0 40 EDAB Cc1nnc(CNc2ccc(CC(=O)N3CCSCC3)cc2)n1C 97233508 ONFLELAXYGNULH-UHFFFAOYSA-N 345.472 1.854 0 40 EDAB Cc1ccc([C@@H](CNC(=O)NC[C@H](C)N(C)C)N2CCOCC2)o1 65444367 ZOTYOIWAJXEBAN-DZGCQCFKSA-N 338.452 1.211 0 40 EDAB C[C@H](NC(=O)NCC(C)(C)N(C)C)c1ccc(S(N)(=O)=O)cc1 65449611 VGCYZMMQDABOON-NSHDSACASA-N 342.465 1.034 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)c(=O)[nH]1 65465369 YQARRGTYLVGLCP-LBPRGKRZSA-N 345.365 1.882 0 40 EDAB CCn1c(CC2CCN(Cc3cccnc3OC)CC2)n[nH]c1=O 65462661 FNUARCYLCGTEIG-UHFFFAOYSA-N 331.420 1.450 0 40 EDAB Cc1nc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)oc1C 65479843 YFHJCAJMPVIWBV-QGZVFWFLSA-N 343.339 1.987 0 40 EDAB CCN1CC[C@@H](CNC(=O)NCc2nncn2-c2ccccc2)C1 65417449 UYOSUEHMJGQYFX-AWEZNQCLSA-N 328.420 1.408 0 40 EDAB COc1ccccc1[C@H](O)CNC(=O)NCc1c(C)cc(C)[nH]c1=O 65543176 JLOKEMPKIBICCJ-OAHLLOKOSA-N 345.399 1.533 0 40 EDAB C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CCO1 14159748 NBFTTYPBIMGPTD-ZDUSSCGKSA-N 334.391 1.925 0 40 EDAB COc1cc(C(=O)OCC(=O)NC(C)C)cc(Br)c1O 14188728 MYSZJYAPWRQVQE-UHFFFAOYSA-N 346.177 1.845 0 40 EDAB CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 6598129 UVQWDMLLDAZDBJ-UHFFFAOYSA-N 342.436 1.999 0 40 EDAB COC[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 66083874 OTZBGROSGSKOEW-KDOFPFPSSA-N 345.399 1.137 0 40 EDAB Cc1ncsc1CN1CCN(S(=O)(=O)Cc2ccon2)CC1 93736067 LNJBEEXWBLWUIL-UHFFFAOYSA-N 342.446 1.087 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H](C)Cc1ccc(-c2ccccc2)cc1 83599671 MOJCRKUJMQLFQT-AWEZNQCLSA-N 346.452 1.950 0 40 EDAB CCCCN(C)S(=O)(=O)Nc1cc(OC)c(OC)cc1C(=O)O 95349905 GGIQVBREQWATOR-UHFFFAOYSA-N 346.405 1.791 0 40 EDAB CC[C@H]1CCCCN1C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 15027206 ZWWJDAOZYJJYGS-IRXDYDNUSA-N 329.444 1.690 0 40 EDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(=O)CC1 6905380 XKZCGZSEHVOFRX-KRWDZBQOSA-N 327.384 1.407 0 40 EDAB COC(=O)c1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)oc1C 9476878 DLSHWKWDVGTGMU-ZDUSSCGKSA-N 325.328 1.821 0 40 EDAB Cc1nc(-c2ccccc2)n(CC(=O)NC(C)(C)C)c(=O)c1CCO 67300326 GKCIPTZKQKCKAX-UHFFFAOYSA-N 343.427 1.668 0 40 EDAB CC(C)Cn1cc(NCc2cnc(N3CCN(C)CC3)nc2)cn1 90199885 UDIUSZPQBRSIOY-UHFFFAOYSA-N 329.452 1.693 0 40 EDAB CN(Cc1ccco1)C(=O)CN1CCC(NC(=O)c2ccc[nH]2)CC1 95397351 CTEZQLIBYMDETK-UHFFFAOYSA-N 344.415 1.461 0 40 EDAB COCCC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 96495912 IOJYSCSAPOGIRZ-GFCCVEGCSA-N 329.194 1.470 0 40 EDAB CCn1cnc(S(=O)(=O)N(C)CCOc2cccc(F)c2)c1 96446591 BEHARIIMOSADSP-UHFFFAOYSA-N 327.381 1.742 0 40 EDAB O=C(c1csc(-c2ncccn2)n1)N1CCN2CCCC[C@H]2C1 71839731 CKXNCNWUJRRKCE-LBPRGKRZSA-N 329.429 1.910 0 40 EDAB CC[C@H]1CN(CC(=O)Nc2nc(C)c(C)s2)CCN1C[C@@H](C)O 71864683 ZJEIPKUMUQHRBK-RISCZKNCSA-N 340.493 1.475 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)NCCN(C)C(=O)OC(C)(C)C 71803981 FOGDXJRTEKFLHN-NSHDSACASA-N 339.440 1.956 0 40 EDAB Cc1ccc(NC(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 8191365 ATHKXAMOESMYBN-OAHLLOKOSA-N 339.461 1.578 0 40 EDAB O=C1c2ccccc2C(=O)N1c1cc(O)nc2nc(-c3ccco3)nn12 16956851 PKRXRYKYVWAIBL-UHFFFAOYSA-N 347.290 1.891 0 40 EDAB COc1cccc(CC(=O)N2CSC[C@H]2C(=O)NCC(C)C)c1 69417804 INRHJGLUCLJXBS-HNNXBMFYSA-N 336.457 1.911 0 40 EDAB C[C@H]1CCCCN1c1cc(C(=O)NCCS(C)(=O)=O)ccn1 69463385 DRGSKBYVADEFDD-LBPRGKRZSA-N 325.434 1.235 0 40 EDAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(OCC(N)=O)cc1 84736327 PYRDVNZENIXTSQ-DOTOQJQBSA-N 333.432 1.287 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)n1 69518197 BMELYOLCDUVWMY-UONOGXRCSA-N 342.399 1.921 0 40 EDAB Cc1cc(C)n(Cc2cccc(C(=O)NCCC(=O)N(C)C)c2)n1 69536174 RVBQHZMAHLMEJL-UHFFFAOYSA-N 328.416 1.756 0 40 EDAB Cc1cc(C)n([C@@H](C)C(=O)NC[C@H](O)COc2ccc(F)cc2)n1 95417355 UNKFCJKJFCJFNV-ZFWWWQNUSA-N 335.379 1.756 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)Nc2cnn(CCN(C)C)c2)cc1 69738922 GLPCLORPVSZIDD-RMKNXTFCSA-N 342.399 1.883 0 40 EDAB Cn1ccnc1[C@H]1[C@H](C(=O)O)CC(=O)N1CCc1ccc(F)cc1 69700028 TZBSNPSBEGQJFD-UKRRQHHQSA-N 331.347 1.776 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CCCC[C@@H]1Cn1cccn1 69811637 XCASBLBDWMWFIM-MRXNPFEDSA-N 337.387 1.554 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)N(C)c3nccs3)C2)n1 69818203 QYWAHHRWFQJXSS-CQSZACIVSA-N 348.476 1.726 0 40 EDAB CC(C)N1CCO[C@@H](CSc2nnnn2C[C@@H]2CCCO2)C1 69919732 WAZDTFRQMQWREV-QWHCGFSZSA-N 327.454 1.053 0 40 EDAB O=C(Nc1ncccn1)C1CCN(Cc2nnsc2Cl)CC1 95952957 DVGQHVIRQBAJOF-UHFFFAOYSA-N 338.824 1.832 0 40 EDAB O=S(=O)(Cc1cccc(F)c1)N1CCC[C@@H](Cn2cncn2)C1 95994960 DKFQXWZJRJPFNC-AWEZNQCLSA-N 338.408 1.659 0 40 EDAB CN1CCN(CCCN(C)C(=O)NC[C@@H]2CCc3ccccc32)CC1 95996433 ZGJVEASHTBJHLX-SFHVURJKSA-N 344.503 1.995 0 40 EDAB Cc1noc(C)c1CCC(=O)NCc1cccc(-c2nnn[nH]2)c1 95956785 PVHMSLPJQNWKCZ-UHFFFAOYSA-N 326.360 1.721 0 40 EDAB O=C(N[C@H]1CCC[C@@H]1CO)c1cn(-c2cccc(Cl)c2F)nn1 95989165 CGBNUIRZSNSXQL-KOLCDFICSA-N 338.770 1.951 0 40 EDAB CN(CC(F)(F)F)C(=O)CNC(=O)c1cc(F)cc(Cl)c1O 89340128 GAJOIIRPGSVEES-UHFFFAOYSA-N 342.676 1.935 0 40 EDAB Cn1cc(CCCN2CCN(Cc3nccn3C(F)F)CC2)cn1 86230560 IFKMUOKHULPOFR-UHFFFAOYSA-N 338.406 1.762 0 40 EDAB Cn1ccnc1[C@H](NC(=O)N1CCNC(=O)CC1)c1cccc(F)c1 75128110 LKAHHMUSUDWLJP-OAHLLOKOSA-N 345.378 1.180 0 40 EDAB O=C(NCc1ccccc1-n1ccnc1)N1CCN(C2CC2)C(=O)C1 89813955 PLUAPWQJCGIPIB-UHFFFAOYSA-N 339.399 1.389 0 40 EDAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nnc2n1CCC2 89913797 IXSRGEAGVYHVEL-RYUDHWBXSA-N 343.387 1.043 0 40 EDAB CCOC(=O)N1CCC(N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 89984728 HQJFQEFFVPXSCY-HNNXBMFYSA-N 335.452 1.599 0 40 EDAB CC(C)[C@H](NC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)O 75572850 NVCCQPXHRQEHSL-ZDUSSCGKSA-N 326.780 1.685 0 40 EDAB Cc1cc(SCC(=O)Nc2ccc3c(c2)OCCO3)nc(=O)[nH]1 4314638 WOAXZGDVNLHRTH-UHFFFAOYSA-N 333.369 1.580 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC(=O)[C@@H]1OCC[C@@H]1C 408491418 HGPIEPLRDUGXLL-GXFFZTMASA-N 343.449 1.386 0 40 EDAB Cc1nnc([C@@H]2COCCN2C(=O)[C@H](C)n2cnc3ccccc32)o1 514632795 YFHDJNNTMUMOAM-NHYWBVRUSA-N 341.371 1.889 0 40 EDAB CO[C@]1(C(=O)O)CCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 530149344 GPOVVUNIIUQHEX-CYBMUJFWSA-N 333.793 1.345 0 40 EDAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(CO)C=C[C@H]2O1 409055874 JWNVGKAMARRPQR-JXFSHQFZSA-N 335.743 1.154 0 40 EDAB CCN1CCO[C@@H](C(=O)NCCNc2ccc3ccccc3n2)C1 73941166 XTJYCCYPTPSFFV-MRXNPFEDSA-N 328.416 1.484 0 40 EDAB CCOC[C@]1(N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218197318 PYCMUXXXFWUWNF-RWMBFGLXSA-N 348.262 1.694 0 40 EDAB CC(C)(C)OC(=O)NCCn1ccc2c(cnc3ccnn32)c1=O 72406621 KIYBNFIVPNJQON-UHFFFAOYSA-N 329.360 1.569 0 40 EDAB COC(=O)[C@@H](C)OC(=O)c1nn(CC(C)C)c(=O)c2ccccc12 32666470 AZCJMRMMLGJVSP-LLVKDONJSA-N 332.356 1.771 0 40 EDAB Cc1cccc(OC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 72351129 IVCKDGUKCYARHR-UHFFFAOYSA-N 340.445 1.415 0 40 EDAB CNc1ncccc1CN1CC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 72370016 LSKZIQOQOXESSU-GFCCVEGCSA-N 328.420 1.538 0 40 EDAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3nccs3)ccc21 72264788 LOWMVUZTKCIIMT-UHFFFAOYSA-N 325.371 1.872 0 40 EDAB O=C1CCC(=O)N1C1CN(C(=O)C2(c3ccccc3)CCOCC2)C1 238835631 GPUFMFQHBNNKFU-UHFFFAOYSA-N 342.395 1.095 0 40 EDAB O=C(CSC1CCCC1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238973873 ZQSFVRGYLZSBSK-GJZGRUSLSA-N 348.468 1.824 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@@]2(N)C(=O)O)cc1 218643252 YPVCWLHYZRDBNT-UXLLHSPISA-N 349.383 1.856 0 40 EDAB Cc1ccccc1-n1nccc1NC(=O)[C@H]1CCCN(C(N)=O)C1 79096503 JXBMXCBXPLDTMQ-ZDUSSCGKSA-N 327.388 1.910 0 40 EDAB Cc1noc(-c2cccnc2N2CCN(c3cnn(C)c3)CC2)n1 74773915 GQXWQRASANBMJQ-UHFFFAOYSA-N 325.376 1.500 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1c[nH]c2ccc(Cl)cc2c1=O 44894029 CIKZGMAVNJQVGD-VIFPVBQESA-N 340.788 1.098 0 40 EDAB Cn1nnn(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2)c1=O 75163127 KWPUHUOAHUYSOP-UHFFFAOYSA-N 343.774 1.801 0 40 EDAB CCOC(=O)N1CCC(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 69658016 SQVWBZCSBOLLGH-RYUDHWBXSA-N 334.438 1.046 0 40 EDAB S=C(NCCN1CCOCC1)Nc1ncc(Cl)nc1Cl 223892993 PKQOBZNFAPVATL-UHFFFAOYSA-N 336.248 1.402 0 40 EDAB O=C(Nc1ccccc1)N1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 85436109 VRWYJWHGCFYGKN-MRXNPFEDSA-N 344.415 1.819 0 40 EDAB biogenic,in-vitro O=C1c2cnc(N3CCOCC3)nc2CN1Cc1cccc(F)c1 41122933 WWMPKHFGGYYGLS-UHFFFAOYSA-N 328.347 1.608 0 40 EDAB C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NC[C@@H]1Cc2ccccc21 195571472 ZFRIOTJBDWGWOI-ZBFHGGJFSA-N 331.460 1.813 0 40 EDAB C[C@H]1CN(S(=O)(=O)NC[Si](C)(C)c2ccccc2)C[C@H](C)O1 195567547 LOHQDUXRRWVLSW-KBPBESRZSA-N 342.537 1.085 0 40 EDAB COc1ccccc1C1=NO[C@@](C)(C(=O)NC2CCN(C)CC2)C1 226753640 RQCJLBRGOOPHDE-GOSISDBHSA-N 331.416 1.789 0 40 EDAB CN(c1ncccn1)[C@@H]1CO[C@]2(CCCN(c3ncccn3)C2)C1 96223418 MXHPKMQAXHPQKN-WMLDXEAASA-N 326.404 1.531 0 40 EDAB C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ncccn1)CC2 96201610 ITHURMTWEYQQDN-CYBMUJFWSA-N 342.403 1.001 0 40 EDAB c1ccc(CN2CCC[C@]3(C2)CN(c2ncccn2)CCO3)nc1 96074940 FVVZWBTYLWVQCR-SFHVURJKSA-N 325.416 1.743 0 40 EDAB O=C(c1cocn1)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96218599 ZCEJTEACELZNPL-PBHICJAKSA-N 329.356 1.912 0 40 EDAB O=C1CO[C@@H]2CN(Cc3cccs3)C[C@H]2N1Cc1cccnc1 96246358 HXPMVKFNYXUSMF-HZPDHXFCSA-N 329.425 1.755 0 40 EDAB CCN(CC)C(=O)Cn1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96101186 QNVNAEBPIYXHHC-UHFFFAOYSA-N 345.399 1.796 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccccn1)C2)c1ccccc1 96108498 QCMWZVNPFVSLET-XLIONFOSSA-N 337.423 1.960 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1 96040901 ATNOGOSKBPMBAU-KFWWJZLASA-N 328.372 1.830 0 40 EDAB O=C(c1ncccn1)N1CCC2(CC1)C[C@H](Oc1cccnc1)CO2 96106749 PEIVZVCOAXXQSS-HNNXBMFYSA-N 340.383 1.714 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)c1oc2ccccc2c1CN(C)C 96436155 ULFILDQNNGFLPU-LBPRGKRZSA-N 327.388 1.904 0 40 EDAB CC(C)Cc1cc(C(=O)NCCc2ccc(S(C)(=O)=O)cc2)[nH]n1 96426581 FSPVWXHIICFWHL-UHFFFAOYSA-N 349.456 1.984 0 40 EDAB CC(C)n1cnc(C(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)c1 583618903 DQVVUNSUVXTEKF-QGZVFWFLSA-N 346.435 1.760 0 40 EDAB C[C@@H]1[C@@H](NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCC[C@H]1C 239722375 CCNNWTCLHPDYOM-JROBPNCZSA-N 330.428 1.734 0 40 EDAB CN(C)C(=O)CO[C@@H]1CO[C@@]2(CCN(Cc3cccc(F)c3)C2)C1 96072347 UBXRWUZKDUZISX-WMZOPIPTSA-N 336.407 1.664 0 40 EDAB COc1cccc(CC(=O)N2Cc3nccn3C[C@H](CN(C)C)C2)c1 96066899 AOPNFKYPWSFZOV-INIZCTEOSA-N 342.443 1.654 0 40 EDAB O=C(CSCc1ccccc1)N[C@H]1CCc2n[nH]c(=O)cc2C1 238879926 OZQIZWFXGLFFRB-AWEZNQCLSA-N 329.425 1.677 0 40 EDAB Cc1ccc(CNc2cnn(CC(=O)N3CCOCC3)c2)c(C)c1 91067240 WDRPBDQFEMRNMR-UHFFFAOYSA-N 328.416 1.971 0 40 EDAB Cc1cccc(N2CCN(CC(=O)NC[C@H]3CCCO3)[C@@H](C)C2)n1 245312403 IZPUXEPOFCSHTE-JKSUJKDBSA-N 332.448 1.196 0 40 EDAB CCCCNC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 243996043 SFNGNGMEBLOOFX-UHFFFAOYSA-N 344.433 1.386 0 40 EDAB COc1cccc(-n2cc(NC(=O)[C@@]3(C)CCC(=O)NC3)nn2)c1 585125966 JWGVHNTWGZDLAT-INIZCTEOSA-N 329.360 1.131 0 40 EDAB CN1CC[C@H](N2CC[C@@H](Oc3cncc(Br)c3)C2)C1=O 585116351 RKGOGPRGBJJYCL-YPMHNXCESA-N 340.221 1.528 0 40 EDAB CC(C)n1nccc1-c1nccnc1C[C@H]1CCN(S(C)(=O)=O)C1 257302559 SDJJRVLILDWBTJ-CYBMUJFWSA-N 349.460 1.745 0 40 EDAB CC(=O)NCc1cnc([C@H]2CCN(C(=O)c3ccc(F)cc3)C2)[nH]1 257327278 XATXIEJYQQWVHM-ZDUSSCGKSA-N 330.363 1.815 0 40 EDAB C[C@]1(c2nccc(CN3CCN(c4ncccn4)CC3)n2)CCCO1 257218725 DEFVWCZWQACPAA-GOSISDBHSA-N 340.431 1.614 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257321193 WANYWTICHLYSAI-IAGOWNOFSA-N 347.390 1.451 0 40 EDAB CCOCC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(N)=O)C1 257268507 MLZMKNXZBOGYNT-WFASDCNBSA-N 338.379 1.334 0 40 EDAB CC(=O)N1CCN(C(=O)c2cnn3cccnc23)C[C@@H]1c1ccccc1 257328602 XGKDMKMYWXGTOT-QGZVFWFLSA-N 349.394 1.775 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCN(CCOC)CC1 69627841 GVEVHWVAFCRLDB-GJZGRUSLSA-N 337.468 1.445 0 40 EDAB O=C1CO[C@@H]2CN(Cc3ccc(F)cn3)C[C@H]2N1Cc1ccccc1 257277859 NZUICWRMIZXYBY-QZTJIDSGSA-N 341.386 1.833 0 40 EDAB Cc1nccc(N2CCC[C@@H](Cc3cc(C(N)=O)ncn3)CC2)n1 257249696 JJJWLSCRERDPIW-CYBMUJFWSA-N 326.404 1.523 0 40 EDAB CC(=O)N1CC[C@H](c2ncc(CNC(=O)Cc3ccccc3C)[nH]2)C1 257331109 XRJPJZYUQDIIME-INIZCTEOSA-N 340.427 1.913 0 40 EDAB COc1c(C(=O)N2CCN(CCc3ccc(F)cc3)CC2)cnn1C 1615050279 YKUXVDQWKDPCGH-UHFFFAOYSA-N 346.406 1.568 0 40 EDAB C[C@@H](c1ccccn1)N1CCN(CC(=O)Nc2cccnn2)CC1 1615002458 FBBZJPVOOOCXSM-AWEZNQCLSA-N 326.404 1.189 0 40 EDAB C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)NCC2)c1nnc2n1CCC2 605036761 OREUUGPHNITJEK-JTQLQIEISA-N 340.387 1.393 0 40 EDAB CC1(C)CC(=O)c2cnc(SCc3nnc(O)nc3O)nc2C1 1615591232 SDCMCNLEXGTSGC-UHFFFAOYSA-N 333.373 1.520 0 40 EDAB O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCCN2CCC[C@H]2C1 69778071 FZTZWDAMJLMALD-ZDUSSCGKSA-N 346.822 1.626 0 40 EDAB Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[nH]n1 69740604 ICOROOJXWIUVIL-UHFFFAOYSA-N 342.808 1.631 0 40 EDAB CCCCC(=O)N1CC2(CC[C@H](CNC(=O)c3cnccn3)CO2)C1 575405279 YBZLNLXQJJAGRS-CQSZACIVSA-N 346.431 1.404 0 40 EDAB CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2n[nH]cc2Cl)C1 585275972 CBBAFBCBMOMKHP-CQSZACIVSA-N 328.800 1.211 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@@](O)(COc2cccc(F)c2)C1 585272589 NWMLPSZHNSTKML-SFHVURJKSA-N 347.390 1.751 0 40 EDAB CO[C@H]1CN(S(=O)(=O)c2cn(C)cn2)CC[C@@H]1Cc1ccccc1 585281289 VNLDDXJVFPESLC-CVEARBPZSA-N 349.456 1.688 0 40 EDAB CCN1CCC(N2CCOC[C@](O)(COc3ccccc3)C2)CC1 585279312 XVKLMCYQSHBVPI-IBGZPJMESA-N 334.460 1.613 0 40 EDAB COc1cc(OC)nc(N2CCN(c3ccccc3OC)CC2)n1 269393399 AQVJDAAIOQIHRC-UHFFFAOYSA-N 330.388 1.829 0 40 EDAB COc1cc(N2CCN(c3nc4cnccc4s3)CC2=O)ccn1 1776007750 CIMLZKKPBQUGMB-UHFFFAOYSA-N 341.396 1.948 0 40 EDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(C[C@H](O)c3ccccc3)C2)C1=O 76058980 LAJLTXNICNFXKO-RVKKMQEKSA-N 331.416 1.372 0 40 EDAB C[S@@](=O)c1ccccc1NC(=O)CN1C(=O)COc2ccccc21 76042476 BRLYMYMNOMEDKJ-DEOSSOPVSA-N 344.392 1.788 0 40 EDAB CCCC(=O)NCC(=O)N[C@@]1(C(=O)OCC)CCc2ccccc21 72871909 AHUQGIOVGUWLDF-SFHVURJKSA-N 332.400 1.424 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@H](c1ccccc1F)NC(=O)N2 11665674 BPWPPNTYPMEMAP-HNNXBMFYSA-N 333.363 1.703 0 40 EDAB Cc1cc(C)n(CCC(=O)NCCc2nc(-c3cccnc3)n[nH]2)n1 12115814 LYKOODIYILIAHG-UHFFFAOYSA-N 339.403 1.429 0 40 EDAB CC(=O)NCC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 19021241 UJOLDSWTUNCUIQ-UHFFFAOYSA-N 345.443 1.445 0 40 EDAB O=C(NCCn1nc([C@H]2CCNC2)c2cccnc21)c1ccccc1 19369071 FTGGASWWFKBJHL-HNNXBMFYSA-N 335.411 1.938 0 40 EDAB COCCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19740696 CYCQWMLFONPUTI-CYBMUJFWSA-N 332.404 1.394 0 40 EDAB Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1CN1CCOCC1 19793574 DOTQZZCEHVJZBX-UHFFFAOYSA-N 343.427 1.505 0 40 EDAB CCOC(=O)[C@@](NCCc1ccccc1)(NC(C)=O)C(F)(F)F 19939234 YNFNHMQHWOZSAK-CQSZACIVSA-N 332.322 1.777 0 40 EDAB COC(=O)[C@@H](C)NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 2116121 DENHIVDRXQHGLA-LLVKDONJSA-N 328.409 1.892 0 40 EDAB biogenic CCOC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)CCO1 527826594 KWZRVSRWCFPAAS-GJZGRUSLSA-N 336.436 1.516 0 40 EDAB Cc1c(S(=O)(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)cnn1C 582038632 STRMIPDFQZTSNK-SWLSCSKDSA-N 335.429 1.879 0 40 EDAB CCc1ccccc1S(=O)(=O)NCc1nc([C@@H]2CCOC2)n[nH]1 585138109 OMDNZKHGFYQUDQ-GFCCVEGCSA-N 336.417 1.350 0 40 EDAB Cc1cc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)ncn1 1888842813 GZBSUSBAZNGXEL-UHFFFAOYSA-N 340.431 1.796 0 40 EDAB Cc1ccc(N2CC(N(C)c3nc4ccccc4c(=O)n3C)C2)nn1 1888875982 AANHUNYAGSVNRM-UHFFFAOYSA-N 336.399 1.357 0 40 EDAB Cc1nc2ccccc2nc1N1CCC[C@@H](NS(=O)(=O)C2CC2)C1 1889139030 WIHNBMLYQODCAE-CYBMUJFWSA-N 346.456 1.989 0 40 EDAB Cn1cc(C(=O)N2CC[C@@H](c3noc(-c4ccsc4)n3)C2)nn1 238971218 ZKTCNQFVRQNVQA-SECBINFHSA-N 330.373 1.556 0 40 EDAB CC(C)N1C[C@H]2CN(C(=O)c3ccn(C(C)C)n3)CC[C@@H]2OCC1=O 2037985651 RAMYRCMMOOVOPO-ZBFHGGJFSA-N 348.447 1.562 0 40 EDAB COCCN1CCC[C@]12CCCN(C(=O)Cc1ccn(C)n1)CC2 1614927831 CQFYSSLUKRQOTO-SFHVURJKSA-N 334.464 1.456 0 40 EDAB Cn1ccc(CC(=O)N2CCC3(CC(Nc4ncccn4)C3)C2)n1 1565549492 SHKCIXVUGFTRMR-UHFFFAOYSA-N 326.404 1.246 0 40 EDAB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc(F)cc1 4941316 YTBAEQFJTXDXJJ-CQSZACIVSA-N 336.363 1.956 0 40 EDAB Cn1c(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(=O)n(C)c1=O 15083421 JVOBUMCUUYQHBH-UHFFFAOYSA-N 331.416 1.030 0 40 EDAB O[C@@H]1CCN(Cc2noc3c2C[C@@H](NCc2ccccc2)CC3)C1 2055730116 BHVYIQWKYDASQS-JKSUJKDBSA-N 327.428 1.888 0 40 EDAB CCN1CCN(C[C@@H](O)COCCOc2ccc(Cl)cc2)CC1 22466276 SAQINUWZOGUBSQ-MRXNPFEDSA-N 342.867 1.734 0 40 EDAB CCCc1nnsc1C(=O)NCCn1ccc2ccn(C)c2c1=O 575615507 DJHNCAJEQNYUMF-UHFFFAOYSA-N 345.428 1.574 0 40 EDAB O=C(Cc1ccccc1F)N[C@@H]1CCN(c2nccn3cnnc23)C1 575618104 ZKDSPHDCXBLSCR-CYBMUJFWSA-N 340.362 1.201 0 40 EDAB O=C(CN1C(=O)CCC1=O)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148978 OVMBMJRONOSMOZ-AWEZNQCLSA-N 328.368 1.086 0 40 EDAB Cc1cc(CCC(=O)N2CC(N3C(=O)[C@@H]4C[C@H]4C3=O)C2)ccc1Cl 585387726 SUFXRCGIDWNNKT-ZIAGYGMSSA-N 346.814 1.797 0 40 EDAB CCCNC(=O)Cn1nc(C)c(S(=O)(=O)N(CC)CC)c1C 50516007 VAVWMRVPZUXPGL-UHFFFAOYSA-N 330.454 1.057 0 40 EDAB Cc1csc(=O)n1CCC(=O)N1CCN(c2ccccc2O)CC1 40465330 LJOWUOFXTDFWOU-UHFFFAOYSA-N 347.440 1.663 0 40 EDAB Cc1ccccc1OCC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 40542803 JAWWNRZGRBEBLQ-CQSZACIVSA-N 340.445 1.162 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 40515756 ZWJNMWVNDVWORW-JTQLQIEISA-N 332.372 1.366 0 40 EDAB CCN(CCCNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 40539913 BKUQPYMZYALYRK-CQSZACIVSA-N 339.461 1.389 0 40 EDAB CCc1ccc(OC[C@@H](O)CN2CCC(N3CCNC3=O)CC2)cc1 51449954 GPOUKVIQMXNFFF-KRWDZBQOSA-N 347.459 1.478 0 40 EDAB O=C(NCc1ccccc1)C1CCN(c2ccc3nncn3n2)CC1 20730577 VTSBIGOMUNNMFY-UHFFFAOYSA-N 336.399 1.657 0 40 EDAB CCOC(=O)Cn1c([C@@H]2CC(=O)N(CCOC)C2)nc2ccccc21 21172061 FRGWXZJDKOXPIJ-CYBMUJFWSA-N 345.399 1.562 0 40 EDAB COc1ccc(NC(=O)CN(C)S(=O)(=O)C(F)F)cc1Cl 32911834 RFWGTKMGZTXTGQ-UHFFFAOYSA-N 342.751 1.771 0 40 EDAB CCN(C(=O)[C@H](C)Nc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 52771958 ZRLGLYYCZRQNFL-GXTWGEPZSA-N 340.445 1.531 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)c2ccnc(OCc3ccccc3)c2)C1 53062294 CEHAAMRUMZKNMC-HNNXBMFYSA-N 325.368 1.608 0 40 EDAB O=C(c1ccccc1O)N1CCN(C(=O)c2ccccc2O)CC1 553173 OWMXJOOQEICNFJ-UHFFFAOYSA-N 326.352 1.696 0 40 EDAB CC(C)N1CC[C@@H](N2CCN(Cc3nccn3C(F)F)CC2)C1=O 84597464 PIOJILFKNPRWSC-CYBMUJFWSA-N 341.406 1.405 0 40 EDAB CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1Br 37396692 OJYANUHHDSMFTC-UHFFFAOYSA-N 335.223 1.172 0 40 EDAB COc1ccc(Nc2ccc3nnnn3n2)cc1OC[C@H]1CCCO1 42099977 VYYJUUWLNPGHOZ-GFCCVEGCSA-N 342.359 1.829 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NS(=O)(=O)c1cc(F)ccc1Cl 78763805 ISSRSSAWPZEDPW-UHFFFAOYSA-N 332.744 1.410 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cn(C2CC2)c(=O)c2ccccc12 79489346 JEWZOVUXNXPKMV-NSHDSACASA-N 346.408 1.253 0 40 EDAB O=C(Nc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 79909456 JKZCHIBWJBAWTC-CYBMUJFWSA-N 346.412 1.516 0 40 EDAB C[C@H](O)CN[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 4280201 LAZAXTCLSFADDG-CPCISQLKSA-N 335.187 1.746 0 40 EDAB CN(C(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 4504618 COIGXNKWRIEAKO-NSHDSACASA-N 332.219 1.708 0 40 EDAB C[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@H]1C[C@H]2CC[C@H]1C2 104862762 ZHMXZVRYWUVGNW-PWNZVWSESA-N 349.456 1.425 0 40 EDAB O=C(CSc1nnc(NCc2ccccc2)s1)N1CCNC1=O 6029526 URCJATLYDIORNI-UHFFFAOYSA-N 349.441 1.794 0 40 EDAB CC(C)[C@H]1NC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O 23640340 OUPWFHWGOJCBFE-OAHLLOKOSA-N 334.395 1.482 0 40 EDAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 6540760 FOMIBKNYVXXVMA-GFCCVEGCSA-N 328.434 1.667 0 40 EDAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1C 23748563 XONBERFTKVBJOZ-GFCCVEGCSA-N 329.400 1.563 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ncc(/C=C/C(=O)O)cn2)cc1 8701480 DTPJODPRYIKARU-FARCUNLSSA-N 335.341 1.384 0 40 EDAB CN1CCN(Cc2ccccc2CNC(=O)c2ccc(F)nc2)CC1 72908492 ITRJICADAVZWCW-UHFFFAOYSA-N 342.418 1.898 0 40 EDAB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)[C@@H]1CC=CCC1 106643946 GZTYWWBNDHJVET-KFWWJZLASA-N 326.462 1.110 0 40 EDAB Cc1nnc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)s1 43412430 DJEYNNOBGJPVBQ-CQSZACIVSA-N 347.444 1.869 0 40 EDAB CC(=O)N(C)Cc1ccccc1NC(=O)[C@H]1CCCN(C(N)=O)C1 25287699 FZELMXOGHNUHFK-AWEZNQCLSA-N 332.404 1.394 0 40 EDAB COc1ccc(CN2CC[C@H](C(N)=O)C2)c(Br)c1OC 55903901 PXXIKEHPJBMXJE-JTQLQIEISA-N 343.221 1.774 0 40 EDAB Cn1cc(C(=O)N2CCOCC2)c(-c2ccc3c(c2)OCCCO3)n1 25969674 BUHSSQJAILXDQY-UHFFFAOYSA-N 343.383 1.721 0 40 EDAB COc1ccc(OC)c(CN(C(=O)c2ccc(=O)n(C)n2)C2CC2)c1 26029264 XNOWURGEOBJUCG-UHFFFAOYSA-N 343.383 1.602 0 40 EDAB NC(=O)C1CCN(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 57197434 QHVMRFJAELHYMH-HOTGVXAUSA-N 349.406 1.953 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)NCc1ccnn1C)CC2 26395135 DNDQNLUFGRKYED-UHFFFAOYSA-N 330.388 1.705 0 40 EDAB CCCCc1nc(CN2C[C@H](C(=O)NC)Oc3ccccc32)no1 48289466 IXEFQZROWBZGNY-CQSZACIVSA-N 330.388 1.926 0 40 EDAB O=C1CC[C@H](C(=O)Nc2cnn(-c3ccccc3Br)c2)N1 95440447 YPFYPIYURGWYQJ-LLVKDONJSA-N 349.188 1.852 0 40 EDAB Cc1ccc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c(O)c1 58246194 CIDVCUPTKXHRGO-UHFFFAOYSA-N 326.418 1.197 0 40 EDAB C[C@H](NC(=O)NC[C@]1(N2CCOCC2)CCSC1)c1ccco1 44951810 NAXLEXHFZNNJGW-XJKSGUPXSA-N 339.461 1.848 0 40 EDAB CN1CCN(c2ccccc2CNC(=O)NC2(CO)CCCC2)CC1 95416153 MXWKUXAUBKPYDE-UHFFFAOYSA-N 346.475 1.543 0 40 EDAB O=C(OCC(=O)N1CCNC1=O)c1ccc(-c2ccc(F)cc2)o1 21500005 ZZGVOGVKYAAKOI-UHFFFAOYSA-N 332.287 1.794 0 40 EDAB O=C(CN(Cc1cccc(F)c1)C1CC1)N[C@H]1CCS(=O)(=O)C1 59389443 SXAWXKMSPCCQEN-AWEZNQCLSA-N 340.420 1.093 0 40 EDAB COc1cc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)ccc1C 45700681 MRFVOWXDZFRKRO-UHFFFAOYSA-N 345.443 1.384 0 40 EDAB COCCN1CCN(c2cc(C)nc3nc(C(F)(F)F)nn23)CC1 45725146 QHNQBHSUPYLEJQ-UHFFFAOYSA-N 344.341 1.220 0 40 EDAB CCOc1cc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(C)cc1C 11566095 QSVRAYLRTRZTJH-UHFFFAOYSA-N 340.445 1.555 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)on1 46109632 GKGVWRNXGPMOGR-GMXVVIOVSA-N 328.434 1.791 0 40 EDAB CCN(CC)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 29916589 KQGRQZZQYBAGJJ-UHFFFAOYSA-N 343.435 1.242 0 40 EDAB COCCN1C[C@H](C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)CC1=O 46626165 LVEDNZJIGYIRAZ-NVXWUHKLSA-N 348.418 1.854 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)O 4085537 BVFKRSWCZDTZRX-DPBRGUSISA-N 348.424 1.872 0 40 EDAB biogenic CCN1CCN(c2ccc3nnc(-c4ccc(OC)cc4)n3n2)CC1 13629567 SFBPHPKRCCHQOY-UHFFFAOYSA-N 338.415 1.942 0 40 EDAB O=C(COC(=O)C[C@@H]1CCS(=O)(=O)C1)Nc1cccc(Cl)c1 4392843 GEBUPNRITAMCRL-JTQLQIEISA-N 345.804 1.647 0 40 EDAB CCc1nc2ccccc2n1CC(=O)NC[C@@H]1CCCN1CCOC 65495358 LKGYFUMXVPSHLM-HNNXBMFYSA-N 344.459 1.826 0 40 EDAB CC(=O)NCc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)s1 65489495 FDJWLWHICBUPHQ-UHFFFAOYSA-N 333.413 1.619 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 4497895 WQLSCZRAAXPPLC-UHFFFAOYSA-N 340.445 1.766 0 40 EDAB CSc1ncccc1C(=O)O[C@@H](C)c1nc(N)nc(N(C)C)n1 14094290 VRUUMZNAIADBJV-QMMMGPOBSA-N 334.405 1.555 0 40 EDAB CNC(=O)c1cccc(CNC(=O)[C@@H](OC[C@H]2CCCO2)C(C)C)c1 65539287 CKILBBMXSXRGPF-SJORKVTESA-N 348.443 1.883 0 40 EDAB CCCCn1nnnc1CSc1nnc(-c2ccncc2)n1C 5473880 YBXBKLVIOSGTRL-UHFFFAOYSA-N 330.421 1.956 0 40 EDAB CCn1c(SCC(=O)OCC(=O)N(C)C)nnc1-c1ccco1 5567842 HQQXOEFAOTUWEN-UHFFFAOYSA-N 338.389 1.282 0 40 EDAB COc1cc(SC)ccc1C(=O)OCC(=O)NC(=O)NC(C)C 6612212 ZLYUALMTRYFOQD-UHFFFAOYSA-N 340.401 1.808 0 40 EDAB COc1ccc(NC(=O)C(=O)NCc2ccc(C)nc2OC)c(C)c1 66221094 KGCHVNOKHYWLKQ-UHFFFAOYSA-N 343.383 1.971 0 40 EDAB Cc1c(NC(=O)C[C@@H](C)CC(=O)O)c(=O)n(-c2ccccc2)n1C 4784806 ZXZVTZSLESCWMA-LLVKDONJSA-N 331.372 1.924 0 40 EDAB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 6778805 IABAFLGTBIPTIC-UHFFFAOYSA-N 334.353 1.827 0 40 EDAB C[C@H](C(=O)c1ccc(Cl)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 4829776 HEZJANAVORXJBY-SECBINFHSA-N 346.774 1.531 0 40 EDAB COCC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCN(C)C2)cc1 95953696 WEQNUTFITZTNNL-ZDUSSCGKSA-N 334.420 1.735 0 40 EDAB Cc1ccc(N([C@@H](C)C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 67190020 QBNNSLWNZZJULM-ZFWWWQNUSA-N 340.445 1.445 0 40 EDAB Cc1ccc(C(=O)N2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)cn1 306135411 OQAPULGUUHGOTN-GVDBMIGSSA-N 338.411 1.984 0 40 EDAB CCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCC(=O)NC2)cc1 68123511 BSEJGCDERJTADK-LLVKDONJSA-N 339.417 1.303 0 40 EDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCc1cccnc1 16091726 XAGXSZRTOIILAP-UHFFFAOYSA-N 335.385 1.527 0 40 EDAB CCc1ccc(C(C)(C)CNC(=O)[C@H]2COCCN2C(C)=O)cc1 96486902 ALXPLUPMUVVJFN-QGZVFWFLSA-N 332.444 1.890 0 40 EDAB Cc1ccc(Cn2cccc(NC(=O)C(=O)N[C@@H]3C[C@@H]3C)c2=O)cc1 95973989 ZDAOMPXFTISKPG-XJKSGUPXSA-N 339.395 1.668 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3cc(C)nn3C)CC2)cs1 71823558 JUNPDZPDRZKASJ-UHFFFAOYSA-N 333.461 1.705 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@@H]2Cn2nc(C)cc2C)n(C)n1 70003713 ZXIBLPPJQMGHHT-OAHLLOKOSA-N 330.436 1.645 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CCC(=O)N3CCCCC3)CC2)n1 69386169 XZOSNYHOUQLLJF-CQSZACIVSA-N 335.452 1.459 0 40 EDAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1ccco1 8360278 URDFNIGYXKPYLT-NSHDSACASA-N 340.376 1.917 0 40 EDAB CN1C[C@@H](C(=O)OCC(=O)NCC2(c3ccccc3)CCC2)CC1=O 83877395 ABGDTUGASJLSGF-AWEZNQCLSA-N 344.411 1.246 0 40 EDAB COC(=O)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1)CC(C)C 71922056 LSOKKBXBPHHHCC-ZIAGYGMSSA-N 341.452 1.332 0 40 EDAB CCn1nc(C)c(C(=O)N2CCN(c3nccc(OC)n3)CC2)c1C 69445248 VZUXVWPQEOUGBO-UHFFFAOYSA-N 344.419 1.281 0 40 EDAB C[C@H](C(=O)NC1CCN(CCc2ccccc2)CC1)S(C)(=O)=O 69451480 DZISBRWWQRJGQU-CQSZACIVSA-N 338.473 1.243 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3nc(N)c4ccccc4n3)CCO2)c1 69463893 YVTLPFMBBHYFQI-AWEZNQCLSA-N 338.415 1.618 0 40 EDAB COc1ccc(Cl)c2c1N(CC(=O)NCCNC(C)=O)CCC2 69419190 ISBFYQDHYHXQKL-UHFFFAOYSA-N 339.823 1.354 0 40 EDAB CN1CCN(CCCN(C)S(=O)(=O)CCc2ccccc2)CC1 71914082 XBMDWMRJLZAUMF-UHFFFAOYSA-N 339.505 1.128 0 40 EDAB COc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cc1Br 71900720 XPYFJSPLIBVSIL-QMMMGPOBSA-N 342.193 1.810 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2c(F)cccc2F)C1 69531029 CSDPHDINGWRPLA-JTQLQIEISA-N 332.372 1.366 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 69507857 BJEOFHJUZCHGTJ-KRWDZBQOSA-N 335.379 1.035 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N1CCN([C@H](C)c2cccc(OC)c2)CC1 69654239 YGTWXXRCRWEDIB-KGLIPLIRSA-N 348.447 1.218 0 40 EDAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccnc(N(C)C)c2)C[C@@H](C)O1 69652809 QTKBRZUNPGFXJL-INMHGKMJSA-N 346.475 1.861 0 40 EDAB C[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccc(OC(F)F)cc1 69633055 CQFLJMWGPQXEIS-JTQLQIEISA-N 348.371 1.789 0 40 EDAB CCN1CC[C@H](N(C)C(=O)Nc2ccc(N3CCOCC3)nc2)C1 69664020 RGXOEJKWVHYVGH-HNNXBMFYSA-N 333.436 1.476 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)NC[C@H]1CCCc2ccccc21 69742610 UGRMESHFUKWFPI-HZPDHXFCSA-N 339.443 1.419 0 40 EDAB CN1CC[C@@H](C(=O)N2CCCN(Cc3ncc(Cl)n3C)CC2)C1 69738531 OMBSIFMFFXIOGP-CYBMUJFWSA-N 339.871 1.060 0 40 EDAB CN(C)C[C@H]1CN(CC(=O)NCC2(c3ccccc3)CC2)CCO1 69952187 JDDYBXUWJPPUDR-KRWDZBQOSA-N 331.460 1.097 0 40 EDAB Cc1ccc(C(=O)NCC(=O)N2CCN(c3ccccn3)CC2)cc1 8708287 CDPJWTUGRNVKFV-UHFFFAOYSA-N 338.411 1.469 0 40 EDAB CCOc1ccc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 8704356 CNSRLWHPGSGOAO-NSHDSACASA-N 329.443 1.481 0 40 EDAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 8755723 HJXDQELYBVOGHR-JQWIXIFHSA-N 342.392 1.441 0 40 EDAB c1nc(NC[C@H]2CCCO2)ncc1CN1CCCn2cncc2C1 72159252 KPFLZVBILVUPHU-MRXNPFEDSA-N 328.420 1.670 0 40 EDAB C[C@@H](C(=O)NCCNc1cccc(Br)c1)n1cncn1 97048675 SNMVAMBTOKQEBR-JTQLQIEISA-N 338.209 1.830 0 40 EDAB CN1CCN(c2ccc(CNC(=O)N3CCSCC3)cn2)CC1 89382772 DTBNRKLNIYOEBD-UHFFFAOYSA-N 335.477 1.092 0 40 EDAB NC(=O)c1cccc(CCNS(=O)(=O)c2cccc(Cl)c2)c1 171046396 FUXTXFSMPPUQRI-UHFFFAOYSA-N 338.816 1.960 0 40 EDAB Cc1ccccc1[C@H](O)CNC(=O)NCCNC(=O)C1CCCC1 72281223 AWQCGVLBORHHNO-MRXNPFEDSA-N 333.432 1.634 0 40 EDAB O=C(CNC(=O)c1ccc2ccc(Cl)cc2n1)Nc1cn[nH]c1 84383489 LQYSBYDLIBPEPI-UHFFFAOYSA-N 329.747 1.980 0 40 EDAB CC(C)c1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)n(-c2ccccc2)n1 72404204 HJORNHZCKPHQFH-CYBMUJFWSA-N 347.440 1.913 0 40 EDAB CCn1cc(C(=O)N[C@@H]2CCC(=O)NC2)c(=O)c2cc(Cl)ccc21 97375979 AUDGOTBEQPJDFI-LLVKDONJSA-N 347.802 1.683 0 40 EDAB NC(=O)NC[C@@H]1CCCCN1c1ccc2nnc(C(F)(F)F)n2n1 84429164 DJWDSHGWUUKAGB-QMMMGPOBSA-N 343.313 1.170 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@H]1CCCOC1 75121783 PTEMICNPBLQATQ-CYBMUJFWSA-N 342.399 1.226 0 40 EDAB COCCn1cc(NC(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)cn1 75137064 ITTQWXZPFVECFY-XHDPSFHLSA-N 336.367 1.912 0 40 EDAB CN1C(=O)CO[C@H](C(=O)Nc2ccon2)[C@@H]1c1ccc(Cl)cc1 72241415 BYEIQGAKGPFQCU-KBPBESRZSA-N 335.747 1.865 0 40 EDAB O=C(CCCc1nc(-c2ccccc2)no1)NCC(=O)N1CCCC1 25442544 OHYDMZGJGMGPNL-UHFFFAOYSA-N 342.399 1.798 0 40 EDAB CNC(=O)[C@@]12CCOC[C@H]1CN(C(=O)c1cc(O)nc(C(C)C)c1)C2 1551408867 LIKOMTMTOVMLQN-FZKQIMNGSA-N 347.415 1.135 0 40 EDAB CS(=O)(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1Cl 30857478 XRLHILHIVGMOID-SNVBAGLBSA-N 332.809 1.620 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)c1cc(F)ccc1-n1cnnn1)C(=O)OC 36580026 YRNGHVJFVLUYJP-TVQRCGJNSA-N 335.339 1.119 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1Br 37406098 PDRLMEUFFZANOW-ZCFIWIBFSA-N 338.179 1.209 0 40 EDAB Cc1ccccc1OCC(=O)N1CCN(CCn2cccn2)CC1 62021987 XSKBZHPFSGGFQW-UHFFFAOYSA-N 328.416 1.415 0 40 EDAB Cc1cc(Nc2ncccc2C)nc([C@@H]2CCN(S(C)(=O)=O)C2)n1 72382479 OGHSTSJHYXLBDR-CYBMUJFWSA-N 347.444 1.981 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)CCc2c[nH]c3ccccc23)CC1 40497273 CMUMLUCFNXSICX-UHFFFAOYSA-N 349.456 1.641 0 40 EDAB Cc1ccc(CN(CC(=O)NCc2ccccn2)S(C)(=O)=O)cc1 224620061 DARMYNKSWDSYNC-UHFFFAOYSA-N 347.440 1.468 0 40 EDAB CCCS(=O)(=O)NC1CCN([C@@H](C(=O)O)c2ccsc2)CC1 570220261 QSLQAYRLEVHAKL-CYBMUJFWSA-N 346.474 1.668 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC(=O)c2c(C)coc2C)s1 225470232 YVSFEFFIQAGLQP-UHFFFAOYSA-N 343.382 1.863 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(O[C@H]2CCOC2)nc1 225707741 RYAKBOCRTQEANC-AWEZNQCLSA-N 342.351 1.908 0 40 EDAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C)c1 223705979 RRYZHVBHFOWIMW-CVEARBPZSA-N 344.440 1.956 0 40 EDAB NC1[C@H]2CCC[C@H]1CC(C(=O)N1CCNC[C@@H]1c1ccncc1)C2 333646327 VDBCGVRUMOXRRF-RXRGVVTNSA-N 328.460 1.708 0 40 EDAB O=C(c1cccnc1O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225784025 BXIJQALBNSMPNP-UHFFFAOYSA-N 340.314 1.133 0 40 EDAB Cc1cc(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)ncn1 95442869 FBDGQDFHYLZSDO-QGZVFWFLSA-N 340.427 1.458 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 96487395 CHFIZKUWBKSQEW-STQMWFEESA-N 330.837 1.594 0 40 EDAB CC(C)CN1C(=O)[C@@]2(C[C@@H]2C(=O)NCCN(C)C)c2ccccc21 96243462 GBNBIGZWGQKBBX-BEFAXECRSA-N 329.444 1.625 0 40 EDAB CCC[C@@H]1CN(C(=O)c2n[nH]c(O)n2)CCN1Cc1ccccc1 96493795 YEVQEGWBBKOKLA-CQSZACIVSA-N 329.404 1.637 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 96042277 BEYMRADLLRUXBQ-OFQRWUPVSA-N 326.356 1.323 0 40 EDAB Cc1ccnc2nc(C(=O)NC[C@@]3(O)CCCc4ccccc43)nn12 96427023 VWDAJBPSJVJJBO-SFHVURJKSA-N 337.383 1.387 0 40 EDAB O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccoc1)c1ccnnc1 96082661 LWFRJOUVZXAJPX-USXIJHARSA-N 342.399 1.479 0 40 EDAB Nc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCOC2)cc1Cl 96427797 SHEUYXHKITVWRI-SSDOTTSWSA-N 325.217 1.890 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Cc2cnccn2)cc1 583621018 KAUBJEVSZFSERS-IEBWSBKVSA-N 341.411 1.926 0 40 EDAB O=C(NC1CC1)N1CCC[C@]2(C(=O)O)CN(Cc3ccco3)C[C@@H]2C1 96185216 CTJAKCZVAQOPIX-ACJLOTCBSA-N 347.415 1.750 0 40 EDAB O=C([C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccccn2)O1)N1CCCCO1 96186995 VJXJEPUEHHLYJO-ZACQAIPSSA-N 331.416 1.758 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)C[C@@H](OCC1CCOCC1)CO2 96106707 AFMNCBFYCIRCGQ-CQSZACIVSA-N 333.450 1.013 0 40 EDAB Cc1cnc(N2C[C@H]3CN(Cc4csc(C)n4)C(=O)[C@H]3C2)nc1 96245130 HMLHLLGYRZTTET-OCCSQVGLSA-N 329.429 1.645 0 40 EDAB O=C(c1ccncn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccncc1 96041803 FWADMHRYTNKSNI-GVDBMIGSSA-N 340.383 1.460 0 40 EDAB Cc1ccc(S(=O)(=O)CCCn2cnnc2[S@@](C)=O)cc1 91584654 BKPRYLYGGJYMHI-FQEVSTJZSA-N 327.431 1.188 0 40 EDAB CC(C)CN1C(=O)[C@]2(C[C@H]2C(=O)NCCN(C)C)c2ccccc21 96243465 GBNBIGZWGQKBBX-HNAYVOBHSA-N 329.444 1.625 0 40 EDAB Cn1cccc1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O 96231567 SISRARQQFITSPK-AWEZNQCLSA-N 344.371 1.135 0 40 EDAB CN(C)C(=O)CO[C@H]1CN(Cc2ccccc2F)[C@@H]2CCCO[C@H]12 96065397 ALBXJZCLPMYNRQ-RYRKJORJSA-N 336.407 1.662 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2ccco2)[C@H]1Cc1cccnc1 96061706 UEEZQLIARICHKE-CVEARBPZSA-N 335.429 1.409 0 40 EDAB CCOC[C@]1(C(N)=S)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)CC 242495945 GUFHFHYWKSVMPA-GUTXKFCHSA-N 327.471 1.896 0 40 EDAB COc1ccc(CCNC(=O)C(=O)NCc2ccccc2C)cc1 243868696 RLODCFCOXMIXBE-UHFFFAOYSA-N 326.396 1.979 0 40 EDAB CCO[C@H]1CCOC2(C1)CN(C(=O)c1cccc3c1OCCO3)C2 248375462 AXEHHLATDDBMHI-ZDUSSCGKSA-N 333.384 1.868 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CO)C(=O)O)cc1 242574963 NMHKLPFJRRCWTJ-JFIYKMOQSA-N 346.404 1.998 0 40 EDAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccccc3C)C2=O)C1 250714145 ZSBQCLDGBGNXFW-HOCLYGCPSA-N 344.411 1.902 0 40 EDAB CC(=O)NCC(=O)N(c1ccc(F)cc1)[C@@H]1COC2(CCNCC2)C1 257322618 WGRYFZXDMOLAMZ-INIZCTEOSA-N 349.406 1.206 0 40 EDAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ccccc1F 257323109 WIUKYWAJVPCXJA-GOSISDBHSA-N 342.374 1.835 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)CCCn2cccn2)C1 257320466 VWYCZBPGRBPVLO-OAHLLOKOSA-N 342.447 1.976 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257233579 GPUDFWQARMIGNL-HZPDHXFCSA-N 333.363 1.359 0 40 EDAB Cc1noc(C)c1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1 257207585 BIJPGWOHDXRDHQ-ZIAGYGMSSA-N 346.339 1.254 0 40 EDAB Cc1nc(OCC(=O)NCCc2ccccc2)cc(-n2cccn2)n1 85471932 PVAISPQRPKWNKB-UHFFFAOYSA-N 337.383 1.708 0 40 EDAB NC(=O)[C@H]1c2ccccc2CCN1C(=O)c1ccc2nc(O)oc2c1 593949844 VZPVBIZKKWUQNV-OAHLLOKOSA-N 337.335 1.758 0 40 EDAB O=C1CCc2ccc(OCc3nnnn3CC3CCOCC3)cc2N1 285269911 TVLXCXOFTMHTDJ-UHFFFAOYSA-N 343.387 1.563 0 40 EDAB CCOC(=O)c1ncn(C2CCN(C(=O)[C@H]3C[C@@H]3CC)CC2)c1N 1615049933 BEIYSZHYQJNHRI-AAEUAGOBSA-N 334.420 1.852 0 40 EDAB CCn1cc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)nn1 1615042139 GQGVYARRQZRPRM-ZDUSSCGKSA-N 330.323 1.648 0 40 EDAB O=C(N[C@H]1C[C@@]2(CCNC2)Oc2ccccc21)c1ccnc(O)c1 1615552396 DPNAEOSDSGWBSK-KBXCAEBGSA-N 325.368 1.773 0 40 EDAB C[C@H](NCc1coc(S(N)(=O)=O)c1)[C@@H](c1ccccc1)N(C)C 1615623140 XTYCEUHPWQQFDV-LRDDRELGSA-N 337.445 1.708 0 40 EDAB CN(Cc1nnc2n1CCNC2=O)C(=O)[C@H]1C[C@@H]1C1CCCCC1 1616038800 QWNPBYPNFRPYJO-OLZOCXBDSA-N 331.420 1.196 0 40 EDAB O=C(C[C@@H]1OCCc2ccccc21)N[C@H](Cc1ccncc1)C(=O)O 655599776 YJJJXQDMDILLEP-SJORKVTESA-N 340.379 1.898 0 40 EDAB CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)CCF)C2)OC1 575405934 VDAPMIDYUPDUTQ-MRXNPFEDSA-N 335.423 1.881 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)o1 678614823 CWJHNNDKTMOWBD-CYBMUJFWSA-N 338.385 1.651 0 40 EDAB CCS(=O)(=O)N1CCc2c(cccc2NC(=O)[C@H](C)OC)C1 69451350 VMGKOAMVYTTYMV-NSHDSACASA-N 326.418 1.368 0 40 EDAB O=C1C[C@@H](N(C(=O)CCc2c[nH]c3ccccc23)C2CC2)C(=O)N1 69456521 QLYSOBVMPIVBQV-OAHLLOKOSA-N 325.368 1.507 0 40 EDAB Cc1nnc2ccc(C(=O)N3CCn4c(nnc4C(C)C)C3)cn12 71864935 RCXZCPFSJHOZEZ-UHFFFAOYSA-N 325.376 1.409 0 40 EDAB O=C(NCC1(N2CCOCC2)CCSCC1)C1CCOCC1 1776009389 YLODAPVTPVCLDY-UHFFFAOYSA-N 328.478 1.127 0 40 EDAB CCCOc1ccc(S(=O)(=O)N[C@H](C)CN2CCOCC2)cc1 46035609 RCWRONKJRMZVAT-CQSZACIVSA-N 342.461 1.474 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NCc1cccnc1N1CCOCC1 48955867 BODOUTKXHNHLAW-CQSZACIVSA-N 344.419 1.003 0 40 EDAB C[C@H](NC(=O)c1cnc2ccc(Br)cn2c1=O)C1CC1 55132026 CCKORRDXIHIUNU-QMMMGPOBSA-N 336.189 1.985 0 40 EDAB O=C(CCOC1CCOCC1)N1CCN(Cc2ccccn2)CC1 84579644 XXKPPFIGPFLVFJ-UHFFFAOYSA-N 333.432 1.312 0 40 EDAB C[C@H](NC(=O)C[S@@](=O)[C@@H](C)c1c(F)cccc1F)C(=O)N(C)C 95966730 UDQJGPUIJZTTQK-JLYOEYFJSA-N 346.399 1.367 0 40 EDAB O=C(CNc1cc(F)c(F)cc1F)NC(=O)NCC(F)(F)F 97033225 CCPUYODWGBZIGN-UHFFFAOYSA-N 329.200 1.904 0 40 EDAB COc1cccc(CN(C)[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)c1 42295849 RGFVVOGLUCMTNM-DZGCQCFKSA-N 333.432 1.239 0 40 EDAB CCc1nn2c(=O)cc(COC(=O)c3ccccc3O)nc2s1 5297972 CGJBTTOGGJNAPM-UHFFFAOYSA-N 331.353 1.776 0 40 EDAB O=C1NCC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21 12225182 QDAWYBNBYJPQCI-UHFFFAOYSA-N 337.379 1.879 0 40 EDAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)C1 14607402 HLHAWHLEKDKHAY-IUODEOHRSA-N 348.374 1.733 0 40 EDAB COC(=O)[C@@H](CCSC)NC(=O)NCc1ccccc1OC 15953511 PBWZAKOOKKGAIX-GFCCVEGCSA-N 326.418 1.789 0 40 EDAB biogenic COCCN1CCC[C@@H](c2ncc(C(=O)N3CCOCC3)c(C)n2)C1 19766301 RCGQCUJVOWPYDA-OAHLLOKOSA-N 348.447 1.083 0 40 EDAB COc1ccc(Br)c(C(=O)N[C@@H]2C[C@H](O)[C@@H](CO)C2)c1 107286303 RTXLOMVHAQYKLY-ZDMBXUJBSA-N 344.205 1.319 0 40 EDAB Cc1ccc(N2C[C@H](NC(=O)NC[C@@H]3CCCO3)CC2=O)cc1C 4373186 LLHDEFCASKVQFT-ZBFHGGJFSA-N 331.416 1.887 0 40 EDAB CO[C@H]1[C@H](CNC(=O)c2cc(C)nc3ccccc23)COC[C@H]1OC 643585461 MRIRXAYXCCZUQR-XWIAVFTESA-N 344.411 1.949 0 40 EDAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)[C@H]1COc2ccccc2O1 575605196 BFOIOMVLJVGKIB-CRAIPNDOSA-N 346.427 1.444 0 40 EDAB O=C(c1onc2c1CCCC2)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1888850097 MKYFYOSLKUSBQQ-STQMWFEESA-N 339.399 1.552 0 40 EDAB O=C(c1ccno1)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888866426 CQVZFUOSTNKNRE-UHFFFAOYSA-N 333.323 1.149 0 40 EDAB Cc1cn2nc(N3CCN(c4nc(C)nc5c4CCC5)CC3)ccc2n1 1888897015 FHNDAGDPKIARAP-UHFFFAOYSA-N 349.442 1.951 0 40 EDAB Cc1csc(=O)n1CC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 18159221 VFLJNJUPSMHTGK-GFCCVEGCSA-N 343.412 1.676 0 40 EDAB COc1cccc2sc(N3CCN(CCn4nccn4)CC3)nc12 1849288067 VGRRPPLQMCYWME-UHFFFAOYSA-N 344.444 1.719 0 40 EDAB O=C(CCN1CCN(c2ncccn2)CC1)Nc1ccccc1F 22198176 BMYDOYMUDWZGFX-UHFFFAOYSA-N 329.379 1.767 0 40 EDAB O=C(c1csc(-c2ccccc2)n1)N1CC(N2C(=O)COC2=O)C1 245171687 XQAOBVMHYLJXCR-UHFFFAOYSA-N 343.364 1.613 0 40 EDAB CCc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)cn1 1565553603 ADTPQHZGOJDAPX-IXDOHACOSA-N 343.427 1.400 0 40 EDAB COc1ccc(C(=O)N2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)c(C)c1 1565552446 UQEVWWXIPJFREF-MSOLQXFVSA-N 330.428 1.939 0 40 EDAB CC(=O)N1N=C(C)C[C@]12CC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]12 1565556375 FMSFKMSFTWIAPQ-JZXOWHBKSA-N 334.464 1.562 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)CCCOc2ccc(F)cc2)CC1 12440817 YYOASCMVSIKIOV-UHFFFAOYSA-N 344.408 1.089 0 40 EDAB Cc1ncsc1CN1CCC[C@@](C(=O)N(C)C)(n2ccnc2)C1 2055771966 NHRPANFNKQLBBG-MRXNPFEDSA-N 333.461 1.728 0 40 EDAB COc1ccc(CCC(=O)N2CCCN([C@@H]3CCOC3)CC2)cc1 271435923 QSVWLWKLGPSNCH-QGZVFWFLSA-N 332.444 1.951 0 40 EDAB O=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)C2CC2)CC1 42384070 APZNTDASOLVOEL-UHFFFAOYSA-N 334.850 1.652 0 40 EDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)COc1ccccc1F)C2 585150417 XARILOBOJHRPOC-ZDUSSCGKSA-N 344.390 1.734 0 40 EDAB CC(C)c1ccc(OCC(=O)NC[C@@H](O)Cn2ccccc2=O)cc1 211127308 FFRBWLZHDAYRGY-MRXNPFEDSA-N 344.411 1.528 0 40 EDAB c1cc(CNCc2ccnc(N3CCOCC3)c2)c2c(c1)OCO2 40119938 PVQPIVYVJGIBQO-UHFFFAOYSA-N 327.384 1.937 0 40 EDAB COc1cc2c(cc1CNCCc1nnc3n1CCC3)O[C@H](C)C2 30657271 RISYFKUZQCLOKR-GFCCVEGCSA-N 328.416 1.889 0 40 EDAB COc1ccc(OCCCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 40467503 OEFZNTTZTNGNTG-ZDUSSCGKSA-N 341.429 1.500 0 40 EDAB CCc1c(C(=O)NCC(=O)N2CCCC2)cnn1-c1ccc(F)cc1 40498783 KNSTURUCAIGGEC-UHFFFAOYSA-N 344.390 1.926 0 40 EDAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 40467485 YYPVXZYESRNPCS-NSHDSACASA-N 347.868 1.760 0 40 EDAB Cc1nc(C)c([C@@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)s1 40556145 VMNKMRBBOIXZSV-SNVBAGLBSA-N 345.490 1.609 0 40 EDAB COc1cc(C)c([C@@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1OC 40548705 TWLMICVARBXGIL-LLVKDONJSA-N 344.433 1.081 0 40 EDAB CC1CCN(CCNC(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 40535631 NAZPONXZCCBIHP-UHFFFAOYSA-N 346.406 1.384 0 40 EDAB Cc1ccc(-c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)[nH]n2)cc1 32272325 IRUPVBCHGXXGFY-UHFFFAOYSA-N 348.428 1.103 0 40 EDAB CC(=O)N1CCc2ccccc2[C@H]1c1c(O)n(C)c(=S)n(C)c1=O 488662 YPHDMWLZRDJBET-AWEZNQCLSA-N 345.424 1.653 0 40 EDAB biogenic O=c1[nH]c2ccccc2n1CCCSc1nc(O)c2nc[nH]c2n1 33027512 AFOQVVIUNQRMRN-UHFFFAOYSA-N 342.384 1.884 0 40 EDAB CCNC(=O)NC(=O)CN(Cc1cccc(F)c1)C[C@H]1CCCO1 53229107 NDXFIXITUJQPRR-OAHLLOKOSA-N 337.395 1.652 0 40 EDAB O=C(NCCCn1cncn1)c1ccc(OC[C@@H]2CCCO2)cc1 41862266 CVTGSRIFPHPWAZ-INIZCTEOSA-N 330.388 1.656 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCCn1cncn1 41862769 XDHINBOVBIIYSC-KRWDZBQOSA-N 339.399 1.749 0 40 EDAB O=C1COc2ccccc2N1CCC(=O)N(C[C@@H]1CCOC1)C1CC1 46937311 RXYKRDXCSQURMN-AWEZNQCLSA-N 344.411 1.830 0 40 EDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(S(=O)(=O)c2ccc(F)cc2)C1 194051 KYVBWCCOVZXRHI-OLZOCXBDSA-N 348.399 1.795 0 40 EDAB O=C(CN1C(=O)CSc2ccccc21)N[C@H]1CCc2nccn2C1 97197789 LOZPMCTVJWYGPK-LBPRGKRZSA-N 342.424 1.453 0 40 EDAB CN(C)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 241909 LKJVHXJUBWMNHZ-UHFFFAOYSA-N 335.223 1.303 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCO1 479579 PWPJQHIJLAWVBT-HNNXBMFYSA-N 338.429 1.979 0 40 EDAB CN(C)C(=O)c1ccc(CN2CCC[C@H](Cc3nccn3C)C2)[nH]1 97139223 GFOFFJVCUNJJEM-CQSZACIVSA-N 329.448 1.905 0 40 EDAB CCOc1ccccc1C(=O)N1CCN(C[C@@H](O)C(F)(F)F)CC1 97141589 MCONLAQYJCEFAI-CQSZACIVSA-N 346.349 1.766 0 40 EDAB C(=C/CSc1nnnn1C1CC1)\CSc1nnnn1C1CC1 42154547 RXBAWSQCWFBCHW-OWOJBTEDSA-N 336.450 1.770 0 40 EDAB CS(=O)(=O)NCCN1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 78900942 HDXCWEZDSPMLRC-VIFPVBQESA-N 340.371 1.157 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccc3c(c2)OCO3)o1 23306065 SBJYBFGVCACTDZ-LLVKDONJSA-N 330.340 1.924 0 40 EDAB CN(C)CCCNC(=O)c1ccccc1I 3080480 TUPBRWMWJSQTQC-UHFFFAOYSA-N 332.185 1.973 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCNS(C)(=O)=O 47666678 RIOOTONNSNORRK-UHFFFAOYSA-N 336.417 1.367 0 40 EDAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(C[C@@H]2CCCO2)CC1 23675315 PNLHOQPSTAKCSX-SFHVURJKSA-N 340.427 1.809 0 40 EDAB CN(CC(=O)O)C(=O)CCCCCCCCC(=O)N(C)CC(=O)O 6169296 GAZAMGOBSGCQEC-UHFFFAOYSA-N 344.408 1.193 0 40 EDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cnccn2)C1=O 23946593 OYTXNXKFLPTQEU-KRWDZBQOSA-N 339.355 1.065 0 40 EDAB COc1ccc([C@H]2CCCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)cc1 42895521 ALYMVQMWLHKSTP-LSDHHAIUSA-N 345.399 1.737 0 40 EDAB CCN(C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)c1cccc(OC)c1 42871125 NVTGVNYZUSZMCN-GXTWGEPZSA-N 340.445 1.975 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1ccccn1 43181406 GPSROWFDISQMBZ-KGLIPLIRSA-N 326.404 1.901 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cn2)cc1 24770931 GDIBCAWNENODRG-UHFFFAOYSA-N 333.413 1.958 0 40 EDAB Cc1cc(C)cc(OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102891024 CJWNWJRLCRFLKF-BHYGNILZSA-N 329.396 1.994 0 40 EDAB O=C([C@H](O)c1ccc(Br)cc1)N1CCc2[nH]ncc2C1 95450181 QYWRHLQTAQAOLV-CYBMUJFWSA-N 336.189 1.791 0 40 EDAB Cc1cc(=O)n2nc(CC(=O)NCCCc3ccccc3)nc2[nH]1 9418782 YNMQBLQCIIMDCI-UHFFFAOYSA-N 325.372 1.018 0 40 EDAB CCCCN(CC(N)=O)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 57326042 IDJZCYWOZUGOQF-UHFFFAOYSA-N 346.836 1.228 0 40 EDAB Cn1c(=O)c(Cn2cnc3ccsc3c2=O)nc2cc(F)ccc21 97201471 BWTKJBBYBPKUMP-UHFFFAOYSA-N 342.355 1.892 0 40 EDAB COc1ccc(OC)c(CN2CCN(Cc3nccn3C)CC2)c1 57592319 VGBSPNIPBIWGNB-UHFFFAOYSA-N 330.432 1.755 0 40 EDAB Cn1nnc2c1[C@H](COCc1ccccc1)CN([C@H]1CCOC1)C2 107214323 KZDRHVIIGDEPPD-HOTGVXAUSA-N 328.416 1.720 0 40 EDAB CC1(C)[C@H]2CN(CC(=O)Nc3cc(-n4cnnn4)ccc3Cl)C[C@@H]21 102680719 VSNKFEBSDWCMHG-RYUDHWBXSA-N 346.822 1.842 0 40 EDAB COc1cccnc1NC(=O)Cn1cccc(C(F)(F)F)c1=O 58195333 LVKFTDDYBPSUNI-UHFFFAOYSA-N 327.262 1.909 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)Nc3cnc4ccccc4c3)cnc21 44896411 FKDJYHYKUHKWLW-UHFFFAOYSA-N 334.339 1.317 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)OC[C@H](O)COC(C)C)CC2=O)cc1 95454633 KTWLHQMEFAFLCM-GOEBONIOSA-N 335.400 1.677 0 40 EDAB Cc1cc(-c2nnn(Cc3cc(=O)n4ccsc4n3)n2)ccc1F 58210203 NEHQXEQLHYFNOL-UHFFFAOYSA-N 342.359 1.905 0 40 EDAB CC(C)OCCC(=O)N[C@H](C)c1ccc(-n2cc(C(N)=O)nn2)cc1 58230088 QOHKGJUPGIFMJO-GFCCVEGCSA-N 345.403 1.359 0 40 EDAB CCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20768759 QIWKPBPHEBPLIK-UHFFFAOYSA-N 346.474 1.301 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)Cn1c(=O)n(CC)c2ccccc21 48263498 KSSJHPFFRNCCER-CQSZACIVSA-N 331.416 1.708 0 40 EDAB O[C@@H](CN1CCc2ccccc2C1)Cn1nnc(-c2ccccc2)n1 58283522 LFCJOLJHXXBLBM-SFHVURJKSA-N 335.411 1.759 0 40 EDAB Cn1ccnc1[C@H](NC(=O)N[C@H]1CCCCNC1=O)c1ccccc1 44967195 FJTDHQCJOAXAAY-LSDHHAIUSA-N 341.415 1.477 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)c1cn(-c2ccc(Cl)cc2)nn1 44943420 OCHWBBFWEZGXPX-GFCCVEGCSA-N 349.822 1.371 0 40 EDAB CN(C)S(=O)(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 95433053 YPVDPMYJAYELNN-AWEZNQCLSA-N 332.853 1.892 0 40 EDAB Cc1cc(NC(=O)CNc2cccc(OCC(=O)N(C)C)c2)on1 55871595 IBSNMQIWOSHJJX-UHFFFAOYSA-N 332.360 1.501 0 40 EDAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccccc2F)c1 102015854 ZGLYDHHTQBGKNH-YHUYYLMFSA-N 341.342 1.737 0 40 EDAB COc1ccc(OC[C@@H](O)Cn2nnc(-c3ccccc3)n2)cc1 58330963 CSWKKWOBWMQAFK-AWEZNQCLSA-N 326.356 1.789 0 40 EDAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 28197198 MNBWNZCLTAIWDP-UHFFFAOYSA-N 327.793 1.887 0 40 EDAB OCc1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(CO)cc2)cc1 28294256 OEWQHIUCWLZYRT-HDICACEKSA-N 332.352 1.828 0 40 EDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2n[nH]c3ccccc23)C1=O 10805659 HIXHLUQNCAWVMT-GOSISDBHSA-N 349.350 1.675 0 40 EDAB O=C(NCCOc1cccc(Cl)c1)NC[C@@H]1CCS(=O)(=O)C1 48342008 WZBVRPAWUNHGKD-NSHDSACASA-N 346.836 1.453 0 40 EDAB Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCCNC3=O)CC2)c1C 45665965 GDBMPYIGVQPSFL-MRXNPFEDSA-N 344.459 1.804 0 40 EDAB C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(N)=O 11458508 XSESQRIUTPRFRG-ZYHUDNBSSA-N 338.791 1.609 0 40 EDAB COC(=O)c1ccccc1NC(=O)CS(=O)(=O)c1cccs1 11666457 UXISSZPXJOLREL-UHFFFAOYSA-N 339.394 1.947 0 40 EDAB O=C(NCc1cccnc1)C1CCN(C(=O)c2ccccc2O)CC1 45959405 POVKENNQYALZAG-UHFFFAOYSA-N 339.395 1.956 0 40 EDAB Cc1cccc(OCCNC(=O)CSc2nnc(N)n2C2CC2)c1 46029330 XJIXROIIZRSFBE-UHFFFAOYSA-N 347.444 1.791 0 40 EDAB CC(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 46237584 CAOJVWFUPAXKJA-OAHLLOKOSA-N 329.400 1.120 0 40 EDAB CCC(C)(C)NC(=O)[C@H](C)N1CCCN(c2nccc(OC)n2)CC1 60340040 UZFDGXSMAWTORH-AWEZNQCLSA-N 349.479 1.691 0 40 EDAB CCN(Cc1ccc(OC)c(F)c1)c1ccc(S(N)(=O)=O)cn1 12813675 SHCABLOIUSBHID-UHFFFAOYSA-N 339.392 1.903 0 40 EDAB Cn1c(SCC(=O)NCC(F)(F)F)nc2ccccc2c1=O 2636521 XJTFCBHMLBAZDO-UHFFFAOYSA-N 331.319 1.704 0 40 EDAB CC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 3460838 VOHQQOGQTOHXNI-GOSISDBHSA-N 329.400 1.712 0 40 EDAB O=C(CNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)NCCO 84335417 WZTAHQFTGXWYQV-NEPJUHHUSA-N 331.199 1.322 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H](C)CC1 63273802 JKKDGPHFEXVGOW-JQWIXIFHSA-N 343.449 1.607 0 40 EDAB COC(=O)CC1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 61721694 GWCXHTHWEWZRBM-UHFFFAOYSA-N 343.383 1.267 0 40 EDAB CN(CCN1C(=O)NC(C)(C)C1=O)Cc1cnn(-c2ccccc2)n1 39563668 RHPJJCGHAJVQEN-UHFFFAOYSA-N 342.403 1.030 0 40 EDAB CCc1nc(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)co1 96011257 ZYXBDJFONUZVBP-UHFFFAOYSA-N 326.349 1.580 0 40 EDAB COC(=O)c1[nH]c(C)cc1NC(=O)CNC(=O)Cc1ccc(O)cc1 96004319 GPONGXQEYVVTOE-UHFFFAOYSA-N 345.355 1.113 0 40 EDAB CC(C)[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)N1CCCC1 65412604 NZOMXCSSXVCMON-OAHLLOKOSA-N 339.461 1.184 0 40 EDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 65403899 SXEQSYKQNHFTEM-ZDUSSCGKSA-N 349.431 1.125 0 40 EDAB CC(C)C(=O)NCCNC(=O)c1sc(N2CCCC2)nc1Cl 65402241 IUDLFFUBXJPBNN-UHFFFAOYSA-N 344.868 1.899 0 40 EDAB CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1 65553952 ANTZZZZZKRTDPH-WCQYABFASA-N 328.459 1.665 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Sc1ccc(-n2nc(C)cc2C)nn1 14180559 DOICBKQIYNVJNH-NSHDSACASA-N 348.432 1.605 0 40 EDAB CC(C)(CNC(=O)COc1ccccc1Cl)N1CCOCC1 14189908 CECXIRZGCXOXKA-UHFFFAOYSA-N 326.824 1.946 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)NCC1(N2CCSCC2)CCCCC1 69874089 MESAJNFIMCKHRP-CYBMUJFWSA-N 342.509 1.172 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@@H](n2cccn2)C1 65608444 HLOUQXJTGCGWOM-CQSZACIVSA-N 330.388 1.781 0 40 EDAB C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(C(N)=O)cc1 14245446 ZWSWIUPDIWFVED-MRVPVSSYSA-N 332.389 1.226 0 40 EDAB O=C(NCc1cccc(Cl)c1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 5452418 NFPUERHMPKFVSW-UHFFFAOYSA-N 329.743 1.800 0 40 EDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccc(F)cc3)ccc21 6507337 LCMIMTFBCREBLP-UHFFFAOYSA-N 341.342 1.779 0 40 EDAB COCCNC(=O)/C(=C\c1ccc(OC)cc1)n1ccccc1=O 4600242 VSENBARUYLLSOT-DTQAZKPQSA-N 328.368 1.618 0 40 EDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1cccc(C(F)(F)F)c1 6661744 LSDQQQCPBZFCSX-VHSXEESVSA-N 336.360 1.566 0 40 EDAB COc1ccc(NC(=O)C(=O)NCCC(=O)N2CCCCC2)c(C)c1 66217518 QLYIVQAVRLZSBA-UHFFFAOYSA-N 347.415 1.461 0 40 EDAB Cc1cc(NS(=O)(=O)c2ccc(C(N)=O)cc2)ccc1C(=O)O 66290396 LLFXICFWYZODHI-UHFFFAOYSA-N 334.353 1.593 0 40 EDAB C[C@@]1(c2ccccc2)Nc2ccccc2C(=O)N1NS(C)(=O)=O 4748339 IIQDCOAEZSFSBC-MRXNPFEDSA-N 331.397 1.891 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)Nc3cn[nH]c3)CC2)C1 66594897 AIVRFWMBLLWTCM-ZIAGYGMSSA-N 348.451 1.254 0 40 EDAB CCCn1c(CN2C[C@@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 5893782 QEERIOOEVBFZRX-BETUJISGSA-N 347.463 1.322 0 40 EDAB CCc1nsc(N2CCCN(C(=O)c3cc(C)nn3CC)CC2)n1 96441290 SDXVAMNCPTXZES-UHFFFAOYSA-N 348.476 1.978 0 40 EDAB Cn1c(CN2CCN(Cc3cccnc3)CC2)nc2ccccc2c1=O 96493119 DYDOPITZZDAUBM-UHFFFAOYSA-N 349.438 1.646 0 40 EDAB Cc1nc(C2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)n[nH]1 96404577 SQCIVMGPCVSPGS-UHFFFAOYSA-N 341.824 1.730 0 40 EDAB CCN(CCNC(=O)NC[C@@H]1CN(C)CCN1C)c1cccc(C)c1 71897561 RDOAZUQDSGZSDP-GOSISDBHSA-N 347.507 1.366 0 40 EDAB COc1ccccc1-n1nc(C2CC2)nc1CCc1n[nH]c(N)n1 67786578 ZHOKBVRXPCNVNY-UHFFFAOYSA-N 325.376 1.639 0 40 EDAB CCCc1nc(CN2CCN(c3ccc4nnc(C)n4n3)CC2)no1 71863804 CJXTWFFQDITSKD-UHFFFAOYSA-N 342.407 1.090 0 40 EDAB CC(C)COC(=O)N1CCN(C(=O)c2ccc3nccn3c2)CC1 68325575 CIVVBCFZJOMQGF-UHFFFAOYSA-N 330.388 1.885 0 40 EDAB O=C(O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 8156832 OXRTVTQJVJKIIY-CYBMUJFWSA-N 346.408 1.680 0 40 EDAB C[C@](O)(CNC(=O)C/C=C/c1ccc(F)cc1)CN1CCOCC1 81817303 GAHGEQAGVJCOHB-DCKQQPRJSA-N 336.407 1.428 0 40 EDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CC(n2cccn2)C1 69373870 ZGEFTEPQABUKIE-CYBMUJFWSA-N 339.399 1.504 0 40 EDAB CCN(CC)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2CC 69442707 FHRLZQHTFCAJBF-UHFFFAOYSA-N 330.388 1.464 0 40 EDAB CCc1noc([C@H](C)N2CCN(Cc3noc(C4CC4)n3)CC2)n1 69454676 TZCSJJVRUCFGQE-NSHDSACASA-N 332.408 1.771 0 40 EDAB O=S(=O)(CCN[C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 69585048 SGFCTNOZFHBTRO-GFCCVEGCSA-N 340.836 1.310 0 40 EDAB CN(Cc1ccccc1F)C(=O)Cn1c(-c2cccnc2)noc1=O 69659914 QPBVEJIXENGQNF-UHFFFAOYSA-N 342.330 1.696 0 40 EDAB CN(Cc1ccccc1)C(=O)CN1CCC[C@@H](Cn2cncn2)C1 69737488 HIPAGCVOMGPXHJ-QGZVFWFLSA-N 327.432 1.649 0 40 EDAB CNC(=O)NC(=O)CNc1c(N2CCCC2)cccc1N1CCCC1 69739837 KSFPEFMVCUAZEK-UHFFFAOYSA-N 345.447 1.755 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCCC2)cc1C 69772367 RCRRBIQFIDFYBZ-JKSUJKDBSA-N 336.457 1.295 0 40 EDAB CCC(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1 69847326 YLJBKUXEJJRDGH-GFCCVEGCSA-N 341.477 1.015 0 40 EDAB COc1ccc(S(=O)(=O)NCc2[nH]ncc2Br)cc1 69978502 YLJVDRFQHIYKDH-UHFFFAOYSA-N 346.206 1.659 0 40 EDAB CN1CC[C@H](N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1=O 69975170 VVAQIQPOBZMXKB-AWEZNQCLSA-N 339.798 1.468 0 40 EDAB C[C@](O)(C(=O)NCc1n[nH]c(=S)n1C1CC1)c1cccc(F)c1 73428381 JXMVLKLWFRKHDI-OAHLLOKOSA-N 336.392 1.939 0 40 EDAB Cc1ccc(-n2[nH]c(C(=O)N[C@@H](CO)c3ccccc3)cc2=O)cc1 97047542 UGHSNMGUGVVGLN-KRWDZBQOSA-N 337.379 1.937 0 40 EDAB C[C@H](CO)[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)cc1 97095510 UTJSAQCNBJDHQZ-NXEZZACHSA-N 343.221 1.312 0 40 EDAB CC(C)(C)NC(=O)CSc1nnnn1CCc1cccs1 8735347 IXANDAUVSFENFO-UHFFFAOYSA-N 325.463 1.984 0 40 EDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 19079588 GSRIZSKJAXZJKA-SNVBAGLBSA-N 341.414 1.408 0 40 EDAB O=C1CC[C@H](C(=O)OC2=N[C@H](C(=O)Nc3ccc(Cl)cc3)CC2)N1 72238432 QODABUYWEPGPFS-NWDGAFQWSA-N 349.774 1.661 0 40 EDAB CC(=O)N[C@H](CC(=O)N1CCC[C@@H](n2cncn2)C1)c1ccccc1 72272233 IDPHSJXKKKTMAS-IAGOWNOFSA-N 341.415 1.709 0 40 EDAB CCOc1ccc2c(c1)C[C@@H](C(=O)N[C@H]1CCc3nccn3C1)CO2 72270302 QWWPZRZKJHZHPE-CABCVRRESA-N 341.411 1.964 0 40 EDAB COCCOc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cn1 72299444 PWWJZAUJCAPBLI-CQSZACIVSA-N 331.376 1.176 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCc3cn(C)nc3C)C2)n1 72286010 YSRBNSYFXRAUMV-INIZCTEOSA-N 330.436 1.733 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(CCCc2cnn(C)c2)C1 84281201 KHODIAAWPRVAAS-MRXNPFEDSA-N 346.435 1.167 0 40 EDAB COC(=O)c1ccc(N(C)CC(=O)Nc2cccc(C)c2C)nn1 84218760 LPPQLABSCYQKDN-UHFFFAOYSA-N 328.372 1.955 0 40 EDAB Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1nc2ccccc2n1C 97102045 TWBNAOGSBMDQTP-UHFFFAOYSA-N 349.398 1.731 0 40 EDAB COCCNC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 95942787 LBYFTLBWQYWLCJ-LLVKDONJSA-N 332.809 1.456 0 40 EDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@@H](C)Cn1cccn1 95954478 CCQDHSLZVLEFSD-KDOFPFPSSA-N 340.427 1.609 0 40 EDAB CN(C)c1nccc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)n1 89326976 NIMDZIOQVGRQLG-UHFFFAOYSA-N 341.350 1.574 0 40 EDAB CSc1ccc(C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1 89885285 CMQDHJWWTUHLMR-CQSZACIVSA-N 342.486 1.951 0 40 EDAB CC[C@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)C[C@@H]1N(C)C 89948410 BQYHXCLXELDMAW-YOEHRIQHSA-N 342.443 1.585 0 40 EDAB CC(C)OCc1cccc(CNC(=O)CN2CCN(C)C[C@@H]2C)c1 89939084 ZTRMPLFISIQMRW-INIZCTEOSA-N 333.476 1.864 0 40 EDAB Cc1noc(C2CN(C(=O)c3ccnc(NC(=O)C4CC4)c3)C2)n1 557015584 KJZFYKWTGWOUFE-UHFFFAOYSA-N 327.344 1.361 0 40 EDAB O=C(O)[C@@H]1[C@@H](c2ccccc2)CCN1S(=O)(=O)[C@H]1CCCOC1 547606709 ZMANLHBDKPXUCY-ZNMIVQPWSA-N 339.413 1.438 0 40 EDAB Cc1ncc(S(=O)(=O)N2CCC(O)(C(C)(C)C(=O)O)CC2)s1 558590276 GSMMRLPHJNVQAO-UHFFFAOYSA-N 348.446 1.078 0 40 EDAB O=c1c2c(-c3ccc(F)cc3)n3ncnc3nc2ccn1-c1ccn[nH]1 40398336 BFEFXDJGZUCLGV-UHFFFAOYSA-N 347.313 1.958 0 40 EDAB N[C@@H]1CN(C(=O)NCc2ccnc(-c3ccccn3)n2)CC12CCC2 1553529883 XZWOMQDEDDRXFM-OAHLLOKOSA-N 338.415 1.561 0 40 EDAB CCN1CCN([C@@H](c2ccc(F)cc2)c2nnnn2CCOC)CC1 35310855 NPFMLKQZPFUEDZ-INIZCTEOSA-N 348.426 1.186 0 40 EDAB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc(=O)[nH]c1 38679583 RZLRHTVXSSKERH-QWRGUYRKSA-N 335.385 1.111 0 40 EDAB Cc1cc(N(C)C)nc([C@]2(C)CCCN2C(=O)CN2CCOCC2)n1 72388523 FQZAQLABSOXRBN-SFHVURJKSA-N 347.463 1.021 0 40 EDAB COC(=O)c1ccc(NC(=O)C2(n3cnnn3)CCCCC2)cc1 36353293 JSNPNQQPZMWWGK-UHFFFAOYSA-N 329.360 1.758 0 40 EDAB COc1cc(C(=O)NCC(C)(C)N2CCS(=O)CC2)ccc1C 79308259 IVARPIHCEQOGGK-UHFFFAOYSA-N 338.473 1.576 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NCc2cccc(C)c2)s1 36182589 WUHLGDOYHOHPTB-UHFFFAOYSA-N 326.403 1.283 0 40 EDAB O=C(Cn1ncn2c(cc3ccsc32)c1=O)NCc1ccco1 72335238 NWLALIAMTRVGBG-UHFFFAOYSA-N 328.353 1.620 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)NCCc3cc(C)no3)CC2=O)c1 77122683 YMYGRHCFMHKERC-ZDUSSCGKSA-N 343.383 1.703 0 40 EDAB O=C(O)c1ccc(Cl)cc1S(=O)(=O)N1CCOC[C@@H]1C1CC1 565949263 NPVFUPDSZKWBJY-GFCCVEGCSA-N 345.804 1.838 0 40 EDAB Cc1ccc(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cn1 78988648 UOJQZSGXQLULBF-LLVKDONJSA-N 330.310 1.352 0 40 EDAB CCCCCNC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 72595188 DVSLARMQLWFGBW-UHFFFAOYSA-N 340.445 1.962 0 40 EDAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC[C@H](c2ccn[nH]2)C1 72270646 HTWUSEPYBOHCLB-QWRGUYRKSA-N 347.444 1.777 0 40 EDAB COc1ccn2c(C(=O)N3CC4(CCC4)[C@H]4COC[C@@H]43)cnc2c1 564861661 KQKQKOMCENUBBM-ZFWWWQNUSA-N 327.384 1.984 0 40 EDAB COc1cccc(C(=O)N2CCOC[C@H](Oc3cnccn3)C2)c1 77265783 DBXHUXHDTTZOIX-OAHLLOKOSA-N 329.356 1.405 0 40 EDAB biogenic,in-vitro CC(C)CNc1ccc(C[C@H]2CCCN(S(C)(=O)=O)C2)nn1 72387420 VBAQXBROLSJXNB-CYBMUJFWSA-N 326.466 1.759 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)NCc2cccnc2)cc1 223302134 GAQAJJWAAAKDMU-UHFFFAOYSA-N 349.412 1.027 0 40 EDAB CC[C@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 44886104 DZPOZMSVJOALQY-NSHDSACASA-N 331.413 1.353 0 40 EDAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NC(C)C 223726127 CEJZIMUUWLDWTB-UHFFFAOYSA-N 328.434 1.403 0 40 EDAB COCCn1nnn(-c2ccc(NC(=O)c3ccsc3)cc2)c1=O 75163217 MFHLUXOOKUBCBC-UHFFFAOYSA-N 345.384 1.389 0 40 EDAB Cc1ccc([C@@H]2[C@@H](C(=O)Nc3nnc(C)s3)OCC(=O)N2C)cc1 96181411 XQWKTNNVVHRHGQ-KGLIPLIRSA-N 346.412 1.692 0 40 EDAB Cc1ccc(N[C@H]2CO[C@@]3(CCCN(Cc4cnn(C)c4)C3)C2)nn1 96048448 PLTNSDAAPSNWPM-AEFFLSMTSA-N 342.447 1.754 0 40 EDAB O=C(OC[C@H]1CCCN1)c1cccc(NC(=O)c2cccc[n+]2[O-])c1 95427907 HHVHHGIRYCQDKO-OAHLLOKOSA-N 341.367 1.481 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 96476246 OUNBHXQTRRZTSQ-MRXNPFEDSA-N 349.456 1.482 0 40 EDAB Cc1cc(NCCC[C@@H]2C=NNC2=O)n2nc(C(F)(F)F)nc2n1 585092725 LDHORZKLPOODDV-MRVPVSSYSA-N 341.297 1.375 0 40 EDAB COCCCn1cnnc1[C@H](C)N1CC2(CCNCC2)CCC1=O 91849148 JIZJZLPIOXZFIW-AWEZNQCLSA-N 335.452 1.368 0 40 EDAB O=C(O)[C@@H]1CCCN(c2nccn(Cc3ccc(F)cc3)c2=O)C1 96530557 KZFCNXUZEPIKQV-CYBMUJFWSA-N 331.347 1.732 0 40 EDAB CC(C)CN1C(=O)CO[C@H]2CN(c3cc(C(F)(F)F)ncn3)C[C@@H]21 96246386 QQGIWANIBIOKFZ-QWRGUYRKSA-N 344.337 1.567 0 40 EDAB CO[C@@H]1C[C@@H](N(C)C(=O)NCc2nc3ncccn3n2)C12CCC2 579686368 VCTVEOXKOXGMNZ-VXGBXAGGSA-N 330.392 1.223 0 40 EDAB Cc1cccc(CN2CCc3c(CNC4CCOCC4)n[nH]c3C2)n1 96084114 NIBPCZHJRZEOEA-UHFFFAOYSA-N 341.459 1.940 0 40 EDAB O=C1CO[C@]2(COCCN(Cc3ccoc3)C2)CN1c1ccccc1 96051263 VKVVDKBPERBUAZ-IBGZPJMESA-N 342.395 1.914 0 40 EDAB C[C@H](CC(=O)N1CCN(c2nc[nH]n2)CC1)Cc1cccc(F)c1 585127073 PIECYOUJVOQZJV-ZDUSSCGKSA-N 331.395 1.861 0 40 EDAB CO[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 247886012 RPOBEWCZWDEOPD-CQSZACIVSA-N 329.356 1.212 0 40 EDAB CN(Cc1cn(-c2ccccc2C(=O)O)cn1)C(=O)c1cnccn1 257339289 ZBBXSYLWRCUSMP-UHFFFAOYSA-N 337.339 1.633 0 40 EDAB Cc1c[nH]c(-c2cncc([C@H]3CCCN3S(=O)(=O)N(C)C)n2)n1 257215787 CRQYMMDTZKJTSA-CYBMUJFWSA-N 336.421 1.118 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(Cc3cc(C)on3)CCN2C)c1 257260959 LFFBFVDEXVNXPK-KRWDZBQOSA-N 328.416 1.831 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@@H]2c2ccn[nH]2)c2c(C)noc2n1 257224009 DZXDMWYRTYGJLP-CYBMUJFWSA-N 327.344 1.776 0 40 EDAB C[C@]1(C(N)=O)CCCN(Cc2cnn(-c3ccccc3C(=O)O)c2)C1 257263556 LQMPAAJCUJPKBR-SFHVURJKSA-N 342.399 1.658 0 40 EDAB COc1ccc2nnc(CNC(=O)c3cccnc3SC)n2n1 252478914 AXFMGRLCVNJOAC-UHFFFAOYSA-N 330.373 1.180 0 40 EDAB Cc1nc2ccc(NCc3ccnc(OC4CCOCC4)c3)nn2n1 252500376 STTYGULBMXGCME-UHFFFAOYSA-N 340.387 1.998 0 40 EDAB O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)C1)[C@@H]1CCCN1 252571304 XSECAKJIEAHCMZ-MJRVHVRYSA-N 345.487 1.385 0 40 EDAB CNC(=O)[C@@]1(C)CN(C(=O)c2[nH]c3ccc(F)cc3c2C)CCO1 257223484 DXOALKMOTWOIBF-QGZVFWFLSA-N 333.363 1.593 0 40 EDAB Cn1nc(C(=O)NCCn2ccc3ccoc3c2=O)c2ccccc21 253473589 WPNOZGHTCZTJJP-UHFFFAOYSA-N 336.351 1.911 0 40 EDAB CCc1cc(C(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)no1 257317484 VJXRXEWKEDWFQP-KRWDZBQOSA-N 348.378 1.532 0 40 EDAB Cc1nccn1CC(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 257295326 QXWUFLVECBFWRI-SJLPKXTDSA-N 329.400 1.622 0 40 EDAB CCn1cc(CN2CC[C@@H]3[C@@H](CCCC(=O)N3CCOC)C2)cn1 257245435 IPMNGENXQGWQNI-DLBZAZTESA-N 334.464 1.752 0 40 EDAB O=C(CCc1cccnc1)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257201011 AFUIZNCHYPQORE-ZHALLVOQSA-N 341.411 1.886 0 40 EDAB CNc1nccnc1[C@H]1CN(S(=O)(=O)c2ccccc2C)CCO1 257274870 NMYLMTQHFYZBAL-CYBMUJFWSA-N 348.428 1.589 0 40 EDAB O=C(c1cccc2c1OCO2)N1CCC(Nc2cccnn2)CC1 69655045 ROHRIHFAFGAFNB-UHFFFAOYSA-N 326.356 1.922 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575607173 YBNYICOSOYNUDJ-CQSZACIVSA-N 347.394 1.958 0 40 EDAB CNc1ncc(CN2CCC[C@@](O)(COc3ccc(F)cc3)C2)cn1 585275308 AFHLUFALSIXBLK-SFHVURJKSA-N 346.406 2.063 0 40 EDAB CCOCc1cc(CN(C)C[C@@H]2COC[C@@H](O)[C@H]2O)ccc1OC 585292122 YJWCFZRYVHXIOQ-NUJGCVRESA-N 339.432 1.032 0 40 EDAB COC[C@@]1(CC(=O)N(C)C)CCCN1Cc1ccccc1C(=O)O 585278042 PJNIQEFUPOXHDZ-SFHVURJKSA-N 334.416 1.844 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)Cc2coc3cc(C)ccc23)[C@@H]1O 585287371 ZEXBMJUXZBKQIW-KYJSFNMBSA-N 333.384 1.517 0 40 EDAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)c3cccn(C)c3=O)C2)n1 585147372 UIGJSGNSHFGSIX-CQSZACIVSA-N 342.399 1.476 0 40 EDAB CN(Cc1ccco1)C(=O)CNC[C@H]1CCCN1c1cccnn1 72267402 DYWBBUWSWUOTKC-CQSZACIVSA-N 329.404 1.287 0 40 EDAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1ccsc1 44003506 BOIPFVKMXVGMOS-UHFFFAOYSA-N 328.459 1.682 0 40 EDAB O=C(Nc1cccnc1-n1cncn1)c1ccc(Cn2cncn2)cc1 58191454 NBNXERKXEHGUSY-UHFFFAOYSA-N 346.354 1.554 0 40 EDAB CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C(=O)O 108242130 CITPOAHGTCMQLY-ZDUSSCGKSA-N 327.402 1.708 0 40 EDAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H]1Cn1nccn1 675007888 ZMFGSRWGDHIKCL-LLVKDONJSA-N 325.294 1.997 0 40 EDAB Cc1cc(CNCCNS(C)(=O)=O)sc1Br 95420596 HGGAJNNVUIHXLS-UHFFFAOYSA-N 327.269 1.458 0 40 EDAB CC(C)(C)NC(=O)Cn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2 1547201220 QJLHGJFYYXJICR-UHFFFAOYSA-N 347.350 1.087 0 40 EDAB CC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O 5212403 ALLLOQOXSIFWRH-UHFFFAOYSA-N 328.368 1.805 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2cc(C)oc2C)NC(=O)N[C@H]1C 5992302 GBEAKQPDUKBACE-VIFPVBQESA-N 336.344 1.572 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@@H](c2ccc(F)c(F)c2)N1 12113432 NLDPFUAVMTZLOR-MEBBXXQBSA-N 349.337 1.594 0 40 EDAB O=C1CCCN1CC(=O)N1Cc2ccccc2OC2(CCOCC2)C1 12121718 BQVMWVBWIBMOQJ-UHFFFAOYSA-N 344.411 1.579 0 40 EDAB COc1ccc(OC)c(NC(=O)C[C@H]2CSc3nccc(=O)n32)c1 12236259 BOWTXRWVPPOBCA-JTQLQIEISA-N 347.396 1.936 0 40 EDAB C[C@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)N1CCCC1 12788991 KIPFQCSGZMLIPD-NSHDSACASA-N 325.386 1.258 0 40 EDAB O=C(c1ccncc1)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19405563 QNQAOHPEYQGWHW-OAHLLOKOSA-N 347.378 1.857 0 40 EDAB O=C(C1CCCC1)N1CCC[C@H]1Cn1nnc(-c2ccncc2)n1 19406000 WAFNPDKGCOWJCA-HNNXBMFYSA-N 326.404 1.916 0 40 EDAB CN(C)[C@H](CNC(=O)NC1CCOCC1)c1ccc2c(c1)CCO2 225557792 FSVXHBRWYLWIAF-MRXNPFEDSA-N 333.432 1.702 0 40 EDAB O=C([C@H]1CCOC1)N1CC(n2cc(COc3ccccc3)nn2)C1 225628518 TVXBMVGFYAABTC-ZDUSSCGKSA-N 328.372 1.277 0 40 EDAB Cn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccco1 5863222 YNJFIYZCOKAWEO-UHFFFAOYSA-N 349.416 1.936 0 40 EDAB COc1ccnc(N2C[C@H]3CN(C(=O)c4cc(C)oc4C)C[C@@H]3C2)n1 1888844361 LKPPXUUNVLDIGW-ZIAGYGMSSA-N 342.399 1.903 0 40 EDAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(S(=O)(=O)N(C)C)C3)nc1 1888875711 HZFCQQJZEVRAEQ-HIFRSBDPSA-N 340.449 1.072 0 40 EDAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccn(C)c2=O)c1 1889124945 CAPRWFHVANDSSF-YIONKMFJSA-N 326.400 1.899 0 40 EDAB c1cc(N2CCN(Cc3nnc(C4CC4)o3)CC2)nnc1C1CC1 1849007803 CEPKJRDRQNQXHN-UHFFFAOYSA-N 326.404 1.937 0 40 EDAB O[C@H]1CCN(C2CCOCC2)C[C@]1(O)COc1cc(F)cc(F)c1 2037946963 JIVJTOMCEPCPDT-IRXDYDNUSA-N 343.370 1.320 0 40 EDAB CN([C@H]1C[C@@H](C(=O)O)C1)S(=O)(=O)c1ccc(Br)cc1 530142722 ASPVRFUDDRVHPI-WAAGHKOSSA-N 348.218 1.933 0 40 EDAB O=C([C@H]1[C@H]2COC[C@H]21)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 1565549861 HDEUYNNQBVEEPJ-HGCAEMCISA-N 330.384 1.111 0 40 EDAB CCn1cc(CN2CC[C@H]3[C@H](CC(=O)NC(C)C)OC[C@H]3C2)cn1 1565552221 PZKQDLWJFVONCA-ZACQAIPSSA-N 334.464 1.655 0 40 EDAB CN1CCc2c(sc(NC(=O)COc3ccccc3)c2C(N)=O)C1 4223611 ZXBMZZNDRJAAHV-UHFFFAOYSA-N 345.424 1.852 0 40 EDAB Cc1ncoc1C(=O)N[C@H]1CCc2onc(CN3CCCC3)c2C1 2055730111 AZLRMZQSRWMKOW-LBPRGKRZSA-N 330.388 1.854 0 40 EDAB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)c2cocn2)C1 2055750856 FKDLNSFPHMJPRU-GOSISDBHSA-N 342.399 1.850 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)NCc1ccc2c(c1)OCO2 21110336 HJUSUVMBNOXADV-UHFFFAOYSA-N 341.367 1.167 0 40 EDAB Cc1cc(C)c2ccc(N3CCC[C@H](NS(C)(=O)=O)C3)nc2n1 2298208945 YDMJQFKJYQBZIQ-ZDUSSCGKSA-N 334.445 1.765 0 40 EDAB CC(=O)N1CCN(C(=O)c2sc(-c3cccnc3)nc2C)CC1 31864707 PLIAGWOPCCXGKI-UHFFFAOYSA-N 330.413 1.818 0 40 EDAB CCOCc1ccccc1CNC(=O)[C@@H]1CCCN1S(C)(=O)=O 30177451 GXAZXCSPBATNNG-HNNXBMFYSA-N 340.445 1.263 0 40 EDAB Cc1ccc([C@](O)(CCNC(=O)c2cnccn2)C(F)(F)F)o1 40498039 DEEOQPPPHSEMBS-CYBMUJFWSA-N 329.278 1.948 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1C[C@@H](O)c1ccc(F)cc1F 51260144 ODFRSWHGXXZIEM-BXUZGUMPSA-N 328.340 1.426 0 40 EDAB CCCCN1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1 20572653 RFUVQQOKLHRJJM-UHFFFAOYSA-N 328.416 1.764 0 40 EDAB O=C(CCNC(=O)c1cccs1)NC[C@H]1COc2ccccc2O1 32531546 RUVRXSSAJYPYSO-LBPRGKRZSA-N 346.408 1.824 0 40 EDAB Cc1cnc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cn1 32743464 MYSWRKIXIXATJJ-UHFFFAOYSA-N 330.731 1.803 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 52854590 LRFHKGCSKHHTGS-UHFFFAOYSA-N 336.335 1.423 0 40 EDAB Cc1cccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)c1 529222 CWPOROMOHGNOQH-UHFFFAOYSA-N 336.399 1.826 0 40 EDAB COC(=O)c1cc(NC(=O)[C@H](C)OC(=O)C2CC2)cc(C(=O)OC)c1 22554559 QOBALGPCLRXHAR-VIFPVBQESA-N 349.339 1.540 0 40 EDAB COc1ccccc1N1CCN(C(=O)N[C@@H](C)c2nncn2C)CC1 46961905 RMIYGXCSMFOMKT-ZDUSSCGKSA-N 344.419 1.417 0 40 EDAB COC(=O)c1cc(C)nc2c1c(=O)nc(S)n2C[C@H]1CCCO1 12394820 MYTCUEXFDZXXBD-SECBINFHSA-N 335.385 1.354 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N(CCC(N)=O)Cc1ccccc1 54193427 OXAPNMDQHNDXMC-UHFFFAOYSA-N 328.416 1.484 0 40 EDAB CCCN1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 54484713 XXNLELYSZMORBB-INIZCTEOSA-N 328.420 1.011 0 40 EDAB CN(C)C1(CNC(=O)C2CCN(S(C)(=O)=O)CC2)CCCCC1 54807968 JAAULQNNHSGPLP-UHFFFAOYSA-N 345.509 1.039 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@H]2CCCO2)CC1 24286418 UPRDNRZEWBZNJE-OAHLLOKOSA-N 346.383 1.771 0 40 EDAB CCOc1ccc(Cl)c(C(=O)NCC(C)(C)N2CCOCC2)n1 55092021 WPKSDMVITDNVBZ-UHFFFAOYSA-N 341.839 1.974 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)o1 24893549 OGBDUFQKOIBDOL-UHFFFAOYSA-N 346.368 1.830 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 102601537 PTQYCZUBYRLQBS-ZJPLRZAQSA-N 331.412 1.973 0 40 EDAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@@H](OCCO)C1 106854253 GJXWDYXGZPWYDZ-CZUORRHYSA-N 340.851 1.818 0 40 EDAB Cc1nc(S(=O)(=O)CC(=O)N[C@H](C)C2CC2)n(CC(C)C)c1C 47961385 PVIRCDIWMHBWQY-GFCCVEGCSA-N 341.477 1.844 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)c(Cl)c1 25367601 YCBCIRDOJDFZGS-GFCCVEGCSA-N 337.850 1.504 0 40 EDAB COc1ccc(CCNC(=O)COC(=O)c2cnc(C)cn2)cc1 3217826 KOJCAEZNGYCQTO-UHFFFAOYSA-N 329.356 1.309 0 40 EDAB O=C(CNC(=O)c1cc2ccccc2cc1O)NCC(F)(F)F 57007080 SJXJDGBOSGNCDD-UHFFFAOYSA-N 326.274 1.954 0 40 EDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2cccc(F)c2)C(=O)N1 10385043 DCCYDGDAMSEEDO-VXGBXAGGSA-N 340.376 1.318 0 40 EDAB C[C@H]1CN(C(=O)OCC23CO[C@@]4(C)CC[C@@](C)(OC2)N34)C[C@H](C)O1 50353395 MDPLWPPNTOIDNE-LELATDSJSA-N 340.420 1.560 0 40 EDAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C)CC1 23970899 JCUSKLFMWQCUIV-GFCCVEGCSA-N 349.460 1.720 0 40 EDAB Cn1ncc(C(=O)O)c1C(=O)NCc1ccccc1-n1cccn1 20615315 RTYHOTCMJOXUOK-UHFFFAOYSA-N 325.328 1.234 0 40 EDAB O=C(NCCc1ccccn1)NCc1ccc(N2CCOCC2)nc1 27333803 YLVFNIKAFFPKRP-UHFFFAOYSA-N 341.415 1.355 0 40 EDAB C[C@H]1CCCCN1CCNC(=O)Cn1cc(C(F)(F)F)ccc1=O 48264863 MLEMQFWSLAKYQW-LBPRGKRZSA-N 345.365 1.858 0 40 EDAB CC[C@H](C)NC(=O)c1ccc(CNS(=O)(=O)N(C)C(C)C)cc1 58264563 KQSOJWHIAAVPBW-ZDUSSCGKSA-N 341.477 1.890 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@@H](C)C2)o1 44943039 IZMWAXDLCGPPCK-GFCCVEGCSA-N 343.449 1.040 0 40 EDAB CN(C)C(=O)Cc1nc(-c2ccc(S(N)(=O)=O)cc2)cs1 58310534 KJUMHNWHWPDXOT-UHFFFAOYSA-N 325.415 1.088 0 40 EDAB O=C(CNC(=O)c1cccs1)Nc1ccc(N2CCOCC2)cc1 3337154 LWRRNMIEBXHTCV-UHFFFAOYSA-N 345.424 1.953 0 40 EDAB Cc1ccc(C(=O)N2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)nc1 95998232 APHBAVMCQCGRGR-KRWDZBQOSA-N 344.459 1.547 0 40 EDAB CN(CCN(C)C1CCCCC1)c1ncnc2c1cnn2CCO 97200189 CFCVBCOWWLIEHO-UHFFFAOYSA-N 332.452 1.519 0 40 EDAB Cc1cc(C(=O)N(C2CC2)[C@H]2CC(O)=NC2=O)c2c(C)nn(C)c2n1 97288665 QITITJSTYXGOAY-LBPRGKRZSA-N 341.371 1.445 0 40 EDAB NC(=O)NC(=O)CNC1(c2cccc(Br)c2)CCC1 84363374 IELAUIOHOPNYTD-UHFFFAOYSA-N 326.194 1.613 0 40 EDAB Cc1cc(C)nc(SCC(=O)Nc2ccc(-n3cnnn3)cc2)n1 3334244 QKRMEGLLDDYSKP-UHFFFAOYSA-N 341.400 1.800 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C1 29632952 HFVMNPLIYMFVDY-MRXNPFEDSA-N 344.459 1.558 0 40 EDAB Cc1cc(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)no1 48343124 WHWVTCOUESWLQE-UHFFFAOYSA-N 342.359 1.313 0 40 EDAB COCCn1c(SCC(=O)NCC(F)(F)F)nc(C)c1C 48310565 DYPMEPYVRCDZIX-UHFFFAOYSA-N 325.356 1.917 0 40 EDAB CSc1cccc(N2C[C@@H](C(=O)NCC(=O)NC3CC3)CC2=O)c1 12999143 SFSPUNXOXJXLEY-NSHDSACASA-N 347.440 1.156 0 40 EDAB O=C(CN1CCc2sccc2C1)NCc1nc(-c2ccco2)n[nH]1 84432908 FHPTZOIEYAJORQ-UHFFFAOYSA-N 343.412 1.801 0 40 EDAB Cc1c(C)c2ccc3c(c2oc1=O)CN([C@@H]1CCS(=O)(=O)C1)CO3 13624491 VEKJSKQCOKKNIR-GFCCVEGCSA-N 349.408 1.749 0 40 EDAB Cc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc(F)c2)CN=3)o1 13713299 QSWZDXJANBFJTH-NVNXTCNLSA-N 343.383 1.834 0 40 EDAB CCCNC(=O)[C@@H](C)N(c1ccc(OCC)cc1)S(C)(=O)=O 409117020 WCZHMTHQNXZBEI-GFCCVEGCSA-N 328.434 1.766 0 40 EDAB C[C@@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccncc1 5226908 ZEUBUPFVVPXHET-LLVKDONJSA-N 327.340 1.418 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 65446499 KLWKGTIGTRNQNI-RYUDHWBXSA-N 327.388 1.827 0 40 EDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)NCc1ccccc1Cl 14093110 IOEYZHPQWPDQGU-SSDOTTSWSA-N 338.824 1.486 0 40 EDAB CCC(CC)NC(=O)CNC(=O)N[C@]1(C(=O)O)CCc2ccccc21 65554041 CDPCDXPBSLLKPM-GOSISDBHSA-N 347.415 1.517 0 40 EDAB O=C(Cn1ccnc1)Nc1cccc(C(=O)N2CCSCC2)c1 65626754 HWIGOBCGYDMOIG-UHFFFAOYSA-N 330.413 1.711 0 40 EDAB C[C@@H](CN1CCCC1=O)NC(=O)c1cn(-c2ccc(F)cc2)nn1 65605855 QWNKFVCZNWLZBQ-NSHDSACASA-N 331.351 1.147 0 40 EDAB CN(C)C(=O)Cn1cnc(NC(=O)c2ccc(-c3cccs3)o2)n1 96008818 WWHZHNIRVBMEIV-UHFFFAOYSA-N 345.384 1.940 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@H]1CCOC1 96009937 WOEGJPBRVHRHCN-RISCZKNCSA-N 329.466 1.859 0 40 EDAB CCCN(C(=O)c1cc(OC)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 6873854 CQYMIHQBALAFRQ-ZDUSSCGKSA-N 341.429 1.743 0 40 EDAB CCOc1cncc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)n1 95425665 TYBUZUJJRRYTBZ-JTQLQIEISA-N 332.326 1.770 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2cncn2)cc1C 68113475 OYZHCBKTHPFNPO-CQSZACIVSA-N 345.428 1.435 0 40 EDAB CC(C)CCS(=O)(=O)CC(=O)N1CCC[C@H]1c1cnn(C)c1 71796756 BUACAOXLKMNZNM-AWEZNQCLSA-N 327.450 1.545 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 7860464 FJVXMORZZMEPOO-VIFPVBQESA-N 346.412 1.668 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cccnc1-n1cccn1 69195195 HKHNKNXHVKQYRE-GFCCVEGCSA-N 328.376 1.400 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@@H]1CCCN(c2ccccn2)C1)c1ccccc1 71820855 RMEORROVRHGPPQ-WBVHZDCISA-N 338.411 1.641 0 40 EDAB CCCCOc1cccc(CNC(=O)N2CCS(=O)(=O)CC2)c1 71803893 URUGBVKCBIWTIM-UHFFFAOYSA-N 340.445 1.806 0 40 EDAB Cc1ccc(-n2nc(C)c(CC(=O)N(C)CC(N)=O)c2C)cc1Cl 71829195 BOZMCDRWQUSXCN-UHFFFAOYSA-N 348.834 1.937 0 40 EDAB C[C@H](NCc1ccc(-n2cncn2)c(F)c1)C(=O)N1CCCCC1 71825241 LFACFCBMAUZFCM-ZDUSSCGKSA-N 331.395 1.897 0 40 EDAB COC(=O)[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)c1ccccc1 69451855 BGIPCCOOODYWQY-AWEZNQCLSA-N 336.388 1.932 0 40 EDAB CN(Cc1nc2cc(Cl)ccc2n1C)[C@H]1CCS(=O)(=O)C1 71810560 WQRIOOIBBWFJHZ-NSHDSACASA-N 327.837 1.846 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@@H]1CCCN(c3ccccn3)C1)C2 69511411 IYPFVFJHGRRUKZ-CQSZACIVSA-N 326.404 1.240 0 40 EDAB CCC(=O)N[C@@H]1CCCN(C(=O)Cc2cn3cccc(C)c3n2)C1 69513584 CHRHYAHOQYXMFP-CQSZACIVSA-N 328.416 1.702 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(Cc2ccc(F)cc2)CC1 69538153 CMHHEINHRRRMAU-UHFFFAOYSA-N 345.374 1.157 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)N(C)C)cc1 69619724 ANTDJPCYKPHZQM-MRZGDXHCSA-N 348.424 1.476 0 40 EDAB O=C(O)CCN1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 69626501 HHEJEFHPMUATOS-GFCCVEGCSA-N 330.381 1.043 0 40 EDAB Cc1nc2n(n1)C[C@H](N[C@H](C(=O)N1CCCC1)c1ccccc1)CC2 69654960 FUIPVCYPSKVUFT-AEFFLSMTSA-N 339.443 1.855 0 40 EDAB COc1cccc([C@H]2CCCN2C(=O)CN2CCCS2(=O)=O)c1 69705573 UPHMFUMMXSRLTG-OAHLLOKOSA-N 338.429 1.394 0 40 EDAB O=C(C=C(C1CC1)C1CC1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 69742361 QDGNYKISWMHKRY-HZPDHXFCSA-N 338.473 1.110 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1F 69716711 VSWKDRXIPMBPIS-UWVGGRQHSA-N 334.355 1.751 0 40 EDAB CNc1ccc(S(=O)(=O)NC)cc1NC(=O)/C=C/c1ccncc1 69895514 CYQZUGNQAIVTKZ-ZZXKWVIFSA-N 346.412 1.683 0 40 EDAB C[C@H](O)CN1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 69893774 RVHOFGONTCFLTN-GXTWGEPZSA-N 338.835 1.416 0 40 EDAB Cc1nccc(CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)n1 69927539 ADQGUWAUPYNCAF-OAHLLOKOSA-N 333.436 1.039 0 40 EDAB Cc1cnn(CCN[C@H](C(N)=O)c2ccc(Br)cc2)c1 69969901 CIEHGXGIENINOI-ZDUSSCGKSA-N 337.221 1.770 0 40 EDAB Oc1nnc(-c2ccccc2)c2c1Nc1nnnn1[C@@H]2c1cccnc1 112000137 FWQFMRJRJBSAJE-OAHLLOKOSA-N 344.338 1.925 0 40 EDAB CN(CCn1cccn1)c1nc(-c2cccnc2)nc2c1cnn2C 72163931 SMSSIICOEJXNPU-UHFFFAOYSA-N 334.387 1.758 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)c2ccc3[nH]nnc3c2)CC1 72279609 AUVWMVQJFOWHOB-UHFFFAOYSA-N 339.403 1.040 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(CCc2ccccn2)C1 84281228 RCXHUMRWUBINCN-INIZCTEOSA-N 329.404 1.439 0 40 EDAB COC(=O)[C@@H](C)N(C(=O)c1cccc(S(C)(=O)=O)c1)C1CC1 75138426 MDYNWFKSRBTOOV-SNVBAGLBSA-N 325.386 1.256 0 40 EDAB Cc1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c2[nH]ncc2c1 89610698 YGDHRMAFAFDZQY-CVEARBPZSA-N 328.416 1.543 0 40 EDAB NS(=O)(=O)c1cnn(CC(=O)N[C@@H]2CCCCc3ccccc32)c1 89858387 CNWHDTVLRXPLKM-OAHLLOKOSA-N 348.428 1.114 0 40 EDAB CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)[C@@H](C)OCC1CC1 89986906 UXJXLMCQYMCDKH-ZIAGYGMSSA-N 329.437 1.866 0 40 EDAB COCC(=O)N[C@@H]1CCCC[C@@]12CN(Cc1ccncc1)CCO2 306133729 MTWZZNPIMRSIJU-SJLPKXTDSA-N 333.432 1.358 0 40 EDAB CN(C[C@H](O)Cn1c(-c2ccccc2)noc1=O)[C@@H]1CCCC[C@H]1O 548628328 STMSXUWPWWJUQN-ARFHVFGLSA-N 347.415 1.100 0 40 EDAB O=C1CN(C(=O)Cc2nnc(O)c3ccccc23)[C@H]2CCCC[C@H]2N1 532343371 ZMJOQMWZCKXNNH-HIFRSBDPSA-N 340.383 1.148 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3noc4c3CCCC4)CC2)no1 79001559 PXAUMEVUBOYNPB-UHFFFAOYSA-N 331.376 1.203 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218466026 VNHCISAJECAVFL-OBJOEFQTSA-N 331.821 1.359 0 40 EDAB COC(=O)[C@H](C)NC(=O)N1CCN(c2nsc3ccccc23)CC1 72402602 RDSVWVODGRENRE-NSHDSACASA-N 348.428 1.689 0 40 EDAB Cc1ccc(NC(=O)Cn2cnc3c(C)n(C)nc3c2=O)cc1C 32647331 FWSKOQOZWXOPEW-UHFFFAOYSA-N 325.372 1.694 0 40 EDAB Cc1ncc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)n1C 72339862 NWABFCSILQOTIY-UHFFFAOYSA-N 336.399 1.844 0 40 EDAB COCC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(=O)n(C)n1 187531731 GXAIEZDHVMUSKX-UHFFFAOYSA-N 329.400 1.848 0 40 EDAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)Nc1nncs1 79027954 LZBLGMMTVJAJEO-SNVBAGLBSA-N 341.437 1.418 0 40 EDAB CC(=O)N1CCN(c2ccc(C[C@@H]3CCCN(C(C)C)C3)nn2)CC1 72387156 FYJJNIBOCQIRLR-KRWDZBQOSA-N 345.491 1.808 0 40 EDAB O=C(NCc1ccc(C2CC2)cc1)N1CCOC[C@@H]1c1nc[nH]n1 567218618 JCJSYHQAUMHYRV-OAHLLOKOSA-N 327.388 1.965 0 40 EDAB CCOC(=O)c1ccc(NC(=O)c2cc(=O)c(OC)cn2C)cc1 49544856 HIOSDFLGKMJKTI-UHFFFAOYSA-N 330.340 1.823 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)NCc2nnc3n2CCC3)C12CCCC2 80655282 GRCWGCRYDJGUFZ-QWHCGFSZSA-N 333.436 1.761 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2cc(N3CCCCC3)ncn2)n1 225538793 KQNDTFAWOCUNPM-UHFFFAOYSA-N 346.416 1.204 0 40 EDAB O=C(c1ccc(-n2cccn2)nc1)N1CCN(c2ccccn2)CC1 42678632 CZHHNSGBCHTQCE-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1 225801246 SJXAGFHJOWEEAY-LLVKDONJSA-N 340.339 1.509 0 40 EDAB O=C(CN1CCC[C@](O)(Cn2ccnn2)C1)N(C1CCCC1)C1CC1 583278610 UEOHVYSWEAKUGG-GOSISDBHSA-N 347.463 1.039 0 40 EDAB O=C(CO[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12)N1CCCC1 96042417 QEQVGQABPGYXRW-LMMKCTJWSA-N 345.443 1.452 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2O1 96056670 XMYFXQONUYUCQV-NUJGCVRESA-N 340.427 1.439 0 40 EDAB Cc1noc(C)c1CN1C[C@@H](C(=O)N2CC=CC2)C2(CCOCC2)C1 96160147 NZRAULAUACTWSK-KRWDZBQOSA-N 345.443 1.918 0 40 EDAB Cc1cccc(O[C@H](C)C(=O)N2CC[C@@H](n3cc(C(=O)O)nn3)C2)c1 585088468 BZWRCAMQPRMMSV-CHWSQXEVSA-N 344.371 1.526 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CCN(c3ccncn3)C[C@H]21 96043351 SJBRLSMPKWNUDL-OWCLPIDISA-N 342.399 1.617 0 40 EDAB CN(C)CCN1CCC2(CCN(C(=O)c3ccncc3)CC2)C1=O 96157751 SCLMPZRORPLTOZ-UHFFFAOYSA-N 330.432 1.098 0 40 EDAB c1ccc(CN2CCC[C@@]3(COCCN(c4cncnc4)C3)C2)nc1 96049537 DWCWWXDARKJUSN-LJQANCHMSA-N 339.443 1.991 0 40 EDAB COc1cc(N2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)ncn1 96199921 RGJABSXKMSAQKB-AWEZNQCLSA-N 339.399 1.523 0 40 EDAB C[C@H](N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(=O)N(C)C 585136865 WJYOCILNKWSUGI-FQUUOJAGSA-N 325.453 1.841 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)CCO1 96428106 FAVPNTDPOSZIOD-NFAWXSAZSA-N 342.436 1.969 0 40 EDAB C[C@H]1CN(C)C[C@@H](C(=O)NCc2nccn2CCc2ccccc2)O1 585122323 XAGOGIBZCITKKE-RDJZCZTQSA-N 342.443 1.461 0 40 EDAB CN(C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(c2ccccc2)C1=O 96419671 IDWUMCBLDAHHFT-GOEBONIOSA-N 336.457 1.549 0 40 EDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1 96405651 AOHPPCBNZDABEV-IUODEOHRSA-N 328.416 1.735 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](Oc1ccccn1)CO2 96107008 FCANHHICRAANOQ-ZDUSSCGKSA-N 326.418 1.434 0 40 EDAB Cn1cc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3CNC(=O)c2ccco2)cn1 96250315 WGUDOSHJBBSDQT-HLLBOEOZSA-N 344.415 1.423 0 40 EDAB Cn1ccc(C(=O)N2CC3(C2)OCC[C@H]3CCOc2ccccn2)n1 248159610 WXLCUKJSRREAMS-CQSZACIVSA-N 342.399 1.515 0 40 EDAB CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NC[C@H]1CN(C)CCN1C 245338659 NPRPKGCZBBVCMA-TWMKSMIVSA-N 325.497 1.722 0 40 EDAB Oc1ccc(CN2CCc3nc(C4CCNCC4)nc(O)c3C2)cc1 257327666 XCFPGYGUZXEWFL-UHFFFAOYSA-N 340.427 1.913 0 40 EDAB CNc1cc(C)nc(CC2CCN(CC3(O)CCOCC3)CC2)n1 257211560 BZINHVHQOKDQRU-UHFFFAOYSA-N 334.464 1.623 0 40 EDAB COC(=O)[C@@H]1[C@H](C(=O)OC)CCCN1C(=O)c1occc1C(C)C 252496592 PMLGCWAHTOXQEU-OLZOCXBDSA-N 337.372 1.970 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2ccnc3ccnn23)CC1 257318503 VOFHXRYJTRFFQT-MRXNPFEDSA-N 341.415 1.446 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3cnn(C)c3)CCN2C(C)=O)cc1 257259224 KXJRKNKWRVBDRL-QGZVFWFLSA-N 342.399 1.474 0 40 EDAB Cc1cnc(C(=O)N2Cc3ccnn3[C@H](CCOCC3CC3)C2)cn1 253601983 YZCHYEARHISYSM-MRXNPFEDSA-N 341.415 1.995 0 40 EDAB CS(=O)(=O)[C@@H]1CCN(C(=O)NCCc2cc(F)ccc2F)C1 252499099 RVMXVYKAUFBWFH-GFCCVEGCSA-N 332.372 1.336 0 40 EDAB CN(C)Cc1cn(-c2ccccc2C(=O)N[C@H]2CCCN(C)C2)cn1 257295324 QXWPQWPKYSZVQL-HNNXBMFYSA-N 341.459 1.758 0 40 EDAB Cc1cnc(C(C)(C)NC(=O)c2ccc(S(N)(=O)=O)cc2)s1 281469526 GDTUMTRENMXLHB-UHFFFAOYSA-N 339.442 1.764 0 40 EDAB CCC(=O)Nc1ccc(NC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)cc1 284473546 BIJUKFNWRVJEES-ZIAGYGMSSA-N 348.447 1.954 0 40 EDAB CCOC(=O)c1nccc(N2CCCN(c3ccccn3)CC2)n1 1615556066 SXBREXRDEGVWBV-UHFFFAOYSA-N 327.388 1.765 0 40 EDAB CN(CC1CCC1)c1nnnn1CCn1cc(Br)cn1 1616036286 IJCFYZHBRSBIRJ-UHFFFAOYSA-N 340.229 1.569 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCCCn1ccc2cccnc21 96353258 RNGXHORUQJZVOA-UHFFFAOYSA-N 336.395 1.973 0 40 EDAB CN(C)C(=O)CO[C@H]1CSC2(C1)CN(C(=O)C1(F)CCC1)C2 575405719 UVSXRBWYUXVLRE-LLVKDONJSA-N 330.425 1.070 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2ccccn2)C1 575404327 AXPDDDLNKNXAQO-OAHLLOKOSA-N 327.388 1.134 0 40 EDAB Cc1cn(CC(=O)NC[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)nn1 585286299 WHWBNGJXQRXBCV-SRCQZFHVSA-N 348.378 1.060 0 40 EDAB CC(=O)N1CCCC[C@H]2CN(C(=O)/C=C/CN3CCOCC3)CC[C@H]21 585291169 MMZVIYBNSYTFDO-UKZKYTFVSA-N 349.475 1.124 0 40 EDAB CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1cccc(OC2CCCC2)c1 585294002 CQQCEINSBHSHIC-WCIQWLHISA-N 349.471 1.931 0 40 EDAB Cc1ccc(CC(=O)N2C[C@H](C(=O)NC3CC3)[C@@H]3OCC[C@@H]32)cc1 585109567 XGZWFGSVBRWKHP-BQFCYCMXSA-N 328.412 1.432 0 40 EDAB CC(C)c1noc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1 71839643 XBWHRSTUKNPHKP-UHFFFAOYSA-N 344.419 1.752 0 40 EDAB O=C(CCCN1C(=O)CNC1=O)N1CCC[C@@H](c2nccs2)C1 72273472 FTJQWRQWWWIQDB-LLVKDONJSA-N 336.417 1.181 0 40 EDAB COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 172343456 RVGYSFVTZZKMST-HNNXBMFYSA-N 328.796 1.491 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N3CCO[C@@H]4CCC[C@H]43)cnc12 53379096 QRDVRCDUZCPQHC-HZPDHXFCSA-N 341.411 1.875 0 40 EDAB COCCCNC(=O)CN(C)C(=O)[C@@H](C)Oc1ccc(F)cc1 58004496 DUARKRNISNRXIO-GFCCVEGCSA-N 326.368 1.204 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)OC(C)(C)C 58404921 AZYSCFBONSYEDP-GFCCVEGCSA-N 336.388 1.810 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)o1 40475413 YFYOIIGZHMQHRI-BZPMIXESSA-N 325.430 1.981 0 40 EDAB Cc1cc(C)c(CNC(=O)c2occc2CN2CCOCC2)c(=O)[nH]1 75122949 CGFAQIUDJARCTP-UHFFFAOYSA-N 345.399 1.347 0 40 EDAB O=C(c1nnn(-c2ccccc2)n1)N1CCN(C2CCCCC2)CC1 75163359 FJXYPAJMRTXYNL-UHFFFAOYSA-N 340.431 1.753 0 40 EDAB Cc1cccc(-c2ccc(C(=O)N[C@H](C)c3nncn3C)c(=O)[nH]2)c1 75122037 YZBGHRFMFKXIJR-GFCCVEGCSA-N 337.383 1.970 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)N1CCOCC1 84017069 AWVBPVXPNFFQOK-UHFFFAOYSA-N 336.417 1.478 0 40 EDAB COc1ccc(CN(C)c2ncnc3c2cnn3CCO)cc1F 97200309 UZTWHXMOJCUDBG-UHFFFAOYSA-N 331.351 1.603 0 40 EDAB O=C(O)[C@H]1CCCN(S(=O)(=O)NCc2ccc(Cl)s2)C1 70215346 FPKXZJPRDMJCNE-QMMMGPOBSA-N 338.838 1.533 0 40 EDAB CCCCOCCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)O 5420387 JZQAATFGYHNFSY-AWEZNQCLSA-N 329.418 1.418 0 40 EDAB CC1CCN(C(=O)CN2C(=O)N3CCN=C3c3ccccc32)CC1 12184974 TYHXPXRMETUAGF-UHFFFAOYSA-N 326.400 1.947 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(C)c1 13582075 YVEZGMDRALVRIQ-UHFFFAOYSA-N 345.380 1.634 0 40 EDAB CN1CCc2nc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)[nH]c(=O)c2C1 19081277 PXNNRNMFDVPTSM-GFCCVEGCSA-N 332.448 1.510 0 40 EDAB O=C(c1ccncc1)N1CC[C@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 19340315 FUZIMCSLYHHJHN-HNNXBMFYSA-N 347.378 1.857 0 40 EDAB O=C1NC2(CCN(CC(=O)N3CCCCC3)CC2)Nc2ccccc21 19374666 FHWXBMBXKJSGET-UHFFFAOYSA-N 342.443 1.647 0 40 EDAB CCn1nc2c(c1C(=O)N1CCN(CCOC(C)C)CC1)CCCC2 19524092 IYCUDUGZXYRJRZ-UHFFFAOYSA-N 348.491 1.965 0 40 EDAB O=C(O)/C=C/C(=O)Nc1ccc(Cl)c(NC(=O)/C=C/C(=O)O)c1 1679097 HSDNLYWHXUATJJ-GGWOSOGESA-N 338.703 1.499 0 40 EDAB Cc1[nH]c2ccc(C(=O)NC[C@@H]3COC[C@@H](O)[C@H]3O)cc2c1C(C)C 643585231 WEXSNJGZCSGMON-QBIMZIAESA-N 346.427 1.698 0 40 EDAB CC(C)NC(=O)C(=O)NCCCN1CCO[C@H](c2ccccc2)C1 17113411 VXXYEHBABCXYCR-INIZCTEOSA-N 333.432 1.091 0 40 EDAB COCCN1CCC(CNC(=O)C(=O)Nc2ccccc2OC)CC1 23127365 GYZPXHZHNOKIOO-UHFFFAOYSA-N 349.431 1.108 0 40 EDAB CC(C)Oc1nccnc1NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C 583619009 TWEPNHDRUSFEFI-GOEBONIOSA-N 344.463 2.492 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@H](c2ccccc2Cl)N1 12345524 XIQAYEHIMANYLW-BONVTDFDSA-N 347.802 1.969 0 40 EDAB Cc1nsc(N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)n1 1888897012 CQJVNISZMQCTEJ-GHMZBOCLSA-N 342.432 1.096 0 40 EDAB O=C([C@H]1CCCN(c2nccn3nccc23)C1)N1CCSCC1 1889114167 MPMFXEKLJGJLTN-ZDUSSCGKSA-N 331.445 1.521 0 40 EDAB Cc1noc([C@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2c2ccccc2)n1 238863532 LFTSWJJHMFMVSN-KBPBESRZSA-N 338.371 1.530 0 40 EDAB CC(C)NC(=O)c1noc2c1C[C@@H](NC(=O)c1cscn1)CC2 2055738659 HUSORIHTPBTQFW-VIFPVBQESA-N 334.401 1.557 0 40 EDAB COCCNC(=O)C1(n2cccn2)CCN(Cc2ccccc2)CC1 2055782084 IWELKTVYCLFILO-UHFFFAOYSA-N 342.443 1.637 0 40 EDAB COc1ccc(CN2CCC[C@@H](NS(=O)(=O)C3CC3)C2)cc1F 2086864699 BUABKGDOHGZLDS-CYBMUJFWSA-N 342.436 1.881 0 40 EDAB Cc1nnc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)c2ccccc12 2086864842 MTQQLXZSQXHMEL-ZDUSSCGKSA-N 346.456 1.989 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CC[C@@H](Oc2ccncn2)C1 575611550 ZXZROBAYGDIZHE-CQSZACIVSA-N 336.355 1.351 0 40 EDAB Cc1cnc(NC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)s1 575617548 FHBTZQSGRRHKLA-SNVBAGLBSA-N 344.404 1.290 0 40 EDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(OC)c1 6754150 WHACGTLMWAYABC-OAHLLOKOSA-N 344.371 1.765 0 40 EDAB COc1ccc([C@H](O)CNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 31571290 JUQPYEOLLXEBLK-OAHLLOKOSA-N 342.351 1.490 0 40 EDAB COC(=O)[C@@H](NC(=O)N1CCN(CCc2ccncc2)CC1)C(C)C 31810984 JLVIKEJKOWRXPN-INIZCTEOSA-N 348.447 1.149 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)[C@H](C)CO1 40501726 VKOOOMNQAZRZPX-OLZOCXBDSA-N 338.429 1.611 0 40 EDAB O=C(NCc1cccnc1-n1cccn1)[C@@H]1CC(=O)N(CC2CC2)C1 40514128 JUNDWRPAFRVOAZ-OAHLLOKOSA-N 339.399 1.142 0 40 EDAB C[C@@H](Oc1ccc(C(=O)N2CCNC(=O)C2)cn1)c1ccccc1 40553367 YZKUMCZCRMQCFG-CYBMUJFWSA-N 325.368 1.794 0 40 EDAB COCC(=O)NC1CCN(Cc2noc(-c3cccc(C)c3)n2)CC1 40540216 RCJVIVOYIDMHLS-UHFFFAOYSA-N 344.415 1.772 0 40 EDAB C[C@@H]1C[C@@H](N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)C(=O)O1 52110232 XQVBASXNRPKYRA-QMTHXVAHSA-N 340.782 1.941 0 40 EDAB Cc1nn(CC(=O)NCc2nnc3ccccn23)c(=O)c2ccccc12 21302861 NSYXCAVKXXSWBP-UHFFFAOYSA-N 348.366 1.064 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN(C)S(C)(=O)=O)C2CC2)o1 41896810 HWTWBWVEQBQEJQ-RISCZKNCSA-N 340.445 1.785 0 40 EDAB C[n+]1cn(C[C@H](O)COc2ccc(C(=O)O)cc2)c2ccccc21 316306 JMIBGBZWYUFBIA-AWEZNQCLSA-O 327.360 1.604 0 40 EDAB Cc1ccc(OCc2ccc(C(=O)NN3CC(=O)NC3=O)o2)c(C)c1 53762144 VVNOZFBYUICGHP-UHFFFAOYSA-N 343.339 1.672 0 40 EDAB CCOc1ccc(OCCNC(=O)Cn2ccc(C)cc2=O)cc1 78526775 XXMVPWIGGRGMJO-UHFFFAOYSA-N 330.384 1.751 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)NS(=O)(=O)c1cccs1 42244256 PLXFMUALYVSMDY-GQCTYLIASA-N 337.378 1.995 0 40 EDAB CC(C)[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)c2ccccc2N1 78994687 VBONEZUXAXWULG-CQSZACIVSA-N 342.399 1.030 0 40 EDAB COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4649782 ATCJCEAMUVLFLX-NORZTCDRSA-N 336.775 1.997 0 40 EDAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccccc1 6680728 AQXDEFZXJNHBKV-UHFFFAOYSA-N 332.425 1.812 0 40 EDAB CCOC(=O)NC(=O)COC(=O)CSc1nc(C)cc(C)n1 7786808 ARZKWOHQRZMBIT-UHFFFAOYSA-N 327.362 1.001 0 40 EDAB O=C(CCc1ncc(-c2ccccc2F)o1)NCCn1ncnn1 84514675 YOBDBUAVYZDCQI-UHFFFAOYSA-N 330.323 1.216 0 40 EDAB CCOC(=O)[C@@H]1CSCCN1Cn1ncc2ccccc2c1=O 24613502 LCZNRJUBTHQYLU-AWEZNQCLSA-N 333.413 1.335 0 40 EDAB Cn1cc(CN2CCC3(CC2)CC(=O)N(Cc2cccnc2)C3)cn1 108527487 IBTLBBQXOGNNOR-UHFFFAOYSA-N 339.443 1.830 0 40 EDAB O=C(NCc1ccncc1)[C@@H]1CCN1S(=O)(=O)c1ccccc1 97134262 UYMMGYPKCTWHCS-HNNXBMFYSA-N 331.397 1.161 0 40 EDAB CCCc1cc(=O)oc2cc(OCC(=O)N3CCNC3=O)ccc12 24911429 DENRLRAVRGTPIN-UHFFFAOYSA-N 330.340 1.676 0 40 EDAB CC(C)(C)OC(=O)N(CC(=O)O[C@H]1CC(=O)NC1=O)c1ccccc1 100499218 YNARWAIBZUFFLE-LBPRGKRZSA-N 348.355 1.386 0 40 EDAB COCCN1CCN([C@H](C)C(=O)Nc2ccnn2C(C)C)C[C@@H]1C 106776527 VZHAYXDHFDAWGT-LSDHHAIUSA-N 337.468 1.444 0 40 EDAB CC[C@H]1CN(CC(=O)Nc2ccnn2C(C)C)CCN1C[C@H](C)O 106906790 NREATHHDWVZFSU-GJZGRUSLSA-N 337.468 1.180 0 40 EDAB NC(=O)C1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 25707187 DLNYKIMPDNGKAP-UHFFFAOYSA-N 326.400 1.529 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)C1 56489524 RWQMSKSBIVPSSU-BBRMVZONSA-N 345.399 1.426 0 40 EDAB C[C@H]1CCc2c(sc3ncnc(N4CCN[C@H](C(N)=O)C4)c23)C1 57392195 WCBPASRKNMZYPH-ONGXEEELSA-N 331.445 1.080 0 40 EDAB O=S(=O)(Oc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 3250894 IRRRBEUKRGQSRY-UHFFFAOYSA-N 336.321 1.954 0 40 EDAB COc1ccc(CCC(=O)N[C@H](C)C(=O)N2CCOCC2)cc1F 58214637 WZBMRGBSTXUSGF-GFCCVEGCSA-N 338.379 1.130 0 40 EDAB CCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 100342935 GZJXQUIAUKSDDS-XUXIUFHCSA-N 331.324 1.456 0 40 EDAB COc1cccc(CN(C)C(=O)N[C@@H]2CCCCNC2=O)c1OC 44967980 ATVPIJDTRATRFS-CYBMUJFWSA-N 335.404 1.514 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)[C@@H]1COc2ccccc2C1 48276630 ILROBWOEULNPKZ-AWEZNQCLSA-N 326.400 1.872 0 40 EDAB Cc1ncc2c(n1)CCN(C(=O)NC[C@@H]1COc3ccccc3O1)C2 48261367 QNUSRUQZBMECHG-CQSZACIVSA-N 340.383 1.693 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 100622281 GYSZDHKATPXQEB-JONQDZQNSA-N 348.374 1.353 0 40 EDAB COc1ccccc1[C@H](O)CNCc1cnc(N2CCCC2)nc1 58327167 KKFIHBFVUCRNRG-MRXNPFEDSA-N 328.416 1.909 0 40 EDAB C[C@H](O)CNC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@@H](C)C4 2225931 JZPPJONMVYUHDE-BDAKNGLRSA-N 345.428 1.574 0 40 EDAB C[C@H](OC(=O)CNC(=O)c1ccco1)C(=O)N(C)c1ccccc1 3336552 NAQMJXFWFQJBGX-LBPRGKRZSA-N 330.340 1.604 0 40 EDAB Cc1nc2cc(NC(=O)Cn3nnc4ccccc4c3=O)ccc2[nH]1 10896607 KTPWIUGNZUTDSR-UHFFFAOYSA-N 334.339 1.615 0 40 EDAB O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1COc2ccccc21 58729387 UUEQRZCWIDZFGW-OAHLLOKOSA-N 336.347 1.923 0 40 EDAB O=C(NCc1nnc2n1CCC2)N1CCO[C@@H](c2ccc(F)cc2)C1 45386944 XPBHGFNTFQZMMM-CQSZACIVSA-N 345.378 1.647 0 40 EDAB CCOCCOC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 58818145 IQERVBAEBYNESW-YVEFUNNKSA-N 340.420 1.703 0 40 EDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N=c1[nH]c2ccccc2[nH]1 28647324 DDGFGEWZEZIWHU-AWEZNQCLSA-N 326.356 1.971 0 40 EDAB COc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cn1 11153475 AGNOTKWCKQWTFZ-UHFFFAOYSA-N 328.372 1.252 0 40 EDAB O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1cccnc1-n1cncn1 48313801 GBIOJMKMZUXTGB-HNNXBMFYSA-N 349.350 1.580 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@H](C)n3ccnc3)CC2)cc1 45876056 WEEBHVBICSOZHW-HNNXBMFYSA-N 328.416 1.797 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3cc(Cl)ccc3C)N2N1 10152907 IBQGPCYVVACCFC-LBPRGKRZSA-N 347.806 1.903 0 40 EDAB O=C(N[C@@H]1CCCNC1=O)c1ccccc1I 49498450 LSUQATNONLDROL-SNVBAGLBSA-N 344.152 1.300 0 40 EDAB O=C(c1ccn[nH]1)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 96004994 RUHHKDHRPXFOPQ-ZDUSSCGKSA-N 334.401 1.456 0 40 EDAB C[C@H](CC(=O)Nc1cccc(F)c1)NC[C@@H]1CCS(=O)(=O)C1 97016471 XVQOQMRMKQIRNH-NEPJUHHUSA-N 328.409 1.567 0 40 EDAB CCN1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccccc23)CC1 19707354 RQZXBBLWBCFJGT-UHFFFAOYSA-N 344.415 1.531 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)Nc2nnc(-c3ccccn3)s2)C1 65473773 PPKBMEAYMGGWHN-NSHDSACASA-N 346.416 1.733 0 40 EDAB O=C(NC[C@@H]1CCN(C2CC2)C1)c1cccnc1N1CCOCC1 65452821 ZOOCFSQCWQAUMP-AWEZNQCLSA-N 330.432 1.132 0 40 EDAB CCCNC(=O)CN(C)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 6431732 WCMVZYOPVBJCFN-UHFFFAOYSA-N 349.475 1.304 0 40 EDAB COc1cncc(N2CCN([C@@H]3Cc4ccccc4[C@@H]3O)CC2)n1 97034113 QPPYTUVXHVNZBK-QAPCUYQASA-N 326.400 1.266 0 40 EDAB CCOc1ccc(N2C(=O)C[C@@H](N3CCC(OC)CC3)C2=O)cc1 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EDAB COc1cccc(NC2CCN(CC(=O)N3CCOCC3)CC2)c1 71893678 HOGMYZMERKSNDE-UHFFFAOYSA-N 333.432 1.430 0 40 EDAB CS(=O)(=O)CCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 69348772 OFIMVKGFGGZYQI-UHFFFAOYSA-N 328.409 1.521 0 40 EDAB COC(=O)c1ccc(CNC(=O)c2cccc(-n3cnnn3)c2)cc1 8393633 BXKSQZFCRPJMHV-UHFFFAOYSA-N 337.339 1.379 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCN(Cc3nccn3C)[C@H](C)C2)no1 69489355 LCQRTMOJEPBADZ-OCCSQVGLSA-N 346.435 1.250 0 40 EDAB CC(C)Oc1ncc(C(=O)N(C)CCN2CCOCC2)cc1Cl 69420995 UXWJZSRCHQVSSJ-UHFFFAOYSA-N 341.839 1.926 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cncn1)Nc1ccnn1C1CCCC1 69597585 UMMPDXRZMUHMQA-HNNXBMFYSA-N 343.435 1.693 0 40 EDAB C[C@H](C(=O)NCCNS(C)(=O)=O)c1c(Cl)cccc1Cl 69531361 GAYPAZGQEOCBLO-QMMMGPOBSA-N 339.244 1.762 0 40 EDAB NS(=O)(=O)c1ccc(CC(=O)Nc2cccc3cn[nH]c23)cc1 72242459 MMWNHOBSDQYPAC-UHFFFAOYSA-N 330.369 1.392 0 40 EDAB CNC(=O)NC(=O)CNc1cc(F)ccc1OC[C@H]1CCCO1 69737875 QEJDVFMSJURNPC-LLVKDONJSA-N 325.340 1.251 0 40 EDAB O[C@H](COc1ccccc1)CN1CCN(CCc2ccncc2)CC1 69775502 QUGXXNOFGZHVLK-IBGZPJMESA-N 341.455 1.682 0 40 EDAB NC(=O)c1cnn2c1NC[C@H](CN[C@H]1CCCOc3ccccc31)C2 69815610 LJELZOCXVDPRRD-WFASDCNBSA-N 341.415 1.527 0 40 EDAB COCC(=O)N1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)CC1 69844799 RRISRVVBJOIOCX-UHFFFAOYSA-N 348.399 1.037 0 40 EDAB CCn1cc(CN2CCCN(C(=O)CCc3ccncc3)CC2)cn1 69948404 AANDHUKUIHFMBS-UHFFFAOYSA-N 341.459 1.965 0 40 EDAB O=C(CSc1ncccn1)NCCc1ccc2c(c1)OCCO2 8709322 DUNPRVLQEIJNMW-UHFFFAOYSA-N 331.397 1.699 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 8708256 DFBCDXILBCWRRB-XIKOKIGWSA-N 345.399 1.377 0 40 EDAB CCOc1cc(C(=O)N2C[C@H](CC)[C@@H](N3CCOCC3)C2)ccn1 84736111 CFOZCWHPIYQKAE-HOCLYGCPSA-N 333.432 1.663 0 40 EDAB C[C@H](CNC(=O)N[C@H]1CCCN(c2ccccc2F)C1)[S@](C)=O 95447426 AYYNXIHHLKDOIZ-HEWAKGLMSA-N 341.452 1.861 0 40 EDAB CN(C)C(C)(C)CNC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 95424193 FBIVBZDHUBCDLP-LLVKDONJSA-N 325.375 1.671 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)CC1 95448542 FWHDPWBGDCXNOF-UHFFFAOYSA-N 340.427 1.653 0 40 EDAB Cc1nsc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1 95403168 DYZKQUZUVKPJBF-UHFFFAOYSA-N 328.401 1.685 0 40 EDAB Cc1n[nH]c(-c2ccc(C(=O)N[C@@H](C)CCN3CCOCC3)cc2)n1 73620178 BXKDIVAGRRTDTK-ZDUSSCGKSA-N 343.431 1.621 0 40 EDAB CN(CCS(C)(=O)=O)C(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 88619292 YXULUYIKJNPREF-YOEHRIQHSA-N 336.457 1.577 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCc3c(C)noc3C)CC2)on1 95955156 XRHWITQRTVXSLH-UHFFFAOYSA-N 333.392 1.615 0 40 EDAB Cc1noc(N)c1C(=O)OCC(=O)NCCSc1ccccc1 9949547 DHEHTTQUHCQYQV-UHFFFAOYSA-N 335.385 1.631 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)C2=NN(C)C(=O)CC2)n1 75129649 YIEGOMDPKLNCLB-AWEZNQCLSA-N 331.420 1.489 0 40 EDAB Cc1ccccc1[S@](=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 89696837 KLYYMWWAXLXUCI-PSLXWICFSA-N 336.457 1.620 0 40 EDAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)N[C@H]1CCCCNC1=O 89787868 OPSLBJIBNKUVEX-HNNXBMFYSA-N 327.388 1.545 0 40 EDAB CN(C)c1nccc(CN2CCCNC(=O)[C@@H]2Cc2ccccc2)n1 552357852 VDKAKPXNEGCFMF-KRWDZBQOSA-N 339.443 1.476 0 40 EDAB CC(=O)N[C@H]1C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc21 20589224 YFSLAAWAJOSJRD-OAHLLOKOSA-N 337.807 1.196 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2cnn(C(F)F)c2)n1 36615026 DJYWQZUIGRNKFU-VIFPVBQESA-N 347.391 1.706 0 40 EDAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCCO)CC2)cc1 409053557 ZNDSKLAYLGUFSQ-UHFFFAOYSA-N 332.444 1.945 0 40 EDAB Cc1cnc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc1C 301850595 AYXJHQFFWBGWFH-UHFFFAOYSA-N 347.444 1.067 0 40 EDAB Cn1nc(C(=O)N[C@@H](CO)C2CCCCC2)c(=O)c2ccccc21 536463021 DVERXEYESDBZJI-AWEZNQCLSA-N 329.400 1.605 0 40 EDAB CC[C@@H](C)N(C)CCNC(=O)Nc1ccc(F)c(-n2nnnc2C)c1 79028788 RDTMEKMTXNUXIP-LLVKDONJSA-N 349.414 1.962 0 40 EDAB CC(=O)N1CCN(C(=O)CCN[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 129800738 JDSIENFIRHLTRS-UONOGXRCSA-N 349.397 1.778 0 40 EDAB CNCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3cnccn3)n2)C1 72360914 ZKAZMLWDQDWBQU-CYBMUJFWSA-N 341.419 1.244 0 40 EDAB Cc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CN)C3)n2)n1 72382986 OZKYMRZHWPTNJX-ZDUSSCGKSA-N 326.404 1.507 0 40 EDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(C2CCCCC2)CC1 35313980 DKKFEGHTNMTURH-UHFFFAOYSA-N 340.431 1.753 0 40 EDAB CNc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)O 217704987 JGPLEKNERSOQEB-UHFFFAOYSA-N 334.397 1.948 0 40 EDAB CNc1ncccc1CN1CCC[C@@H]1c1cncc(CNC(C)=O)n1 72355904 UTBAJBUQEMQTLH-QGZVFWFLSA-N 340.431 1.887 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)Nc1cccc(-c2nccn2C)c1 77446057 JSUZLHOERUATFK-LBPRGKRZSA-N 325.376 1.889 0 40 EDAB CN(C)C(=O)CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Cl)cc1 226749863 DOQQLTRHLOFSBC-CYBMUJFWSA-N 337.807 1.035 0 40 EDAB O=C1CN(C(=O)CN2C(=O)COc3ccccc32)c2ccccc2N1 9581412 COKLLIQBOBHRFP-UHFFFAOYSA-N 337.335 1.397 0 40 EDAB C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 195547649 XTJXBPHMJCPUQC-VIFPVBQESA-N 348.296 1.510 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@@](C)(O)c1ccco1 81836748 NAULMCTXMLHHAA-QGZVFWFLSA-N 333.388 1.606 0 40 EDAB CN(C)[C@H]1Cc2ccccc2N(S(=O)(=O)CCN2CCCC2)C1 192625830 MLHMZQKDNYIOQJ-INIZCTEOSA-N 337.489 1.405 0 40 EDAB COc1cccc(N2C[C@H](C(=O)NCCc3cncnc3)CC2=O)c1 225589705 HAARHPMGCAPWQP-CQSZACIVSA-N 340.383 1.197 0 40 EDAB Cc1nc2ccccc2n(CCCNC(=O)[C@H]2CCO[C@H]2C)c1=O 96495242 YLQURPZTZOYGGH-KBPBESRZSA-N 329.400 1.636 0 40 EDAB Cc1ccc(CN2C[C@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)o1 96185957 PTGMMMAMCPYOOG-ULQDDVLXSA-N 342.399 1.540 0 40 EDAB CCn1ncc2c1CN(S(=O)(=O)c1ccccc1)C[C@H]2COC 96044578 RCRHNBIBMONUJA-ZDUSSCGKSA-N 335.429 1.838 0 40 EDAB O=C(O)[C@H]1CN(S(=O)(=O)c2csc3ccccc23)CCO1 582829983 JWKKFCADWRUPOH-SNVBAGLBSA-N 327.383 1.375 0 40 EDAB COc1ncnc2c1CN(C[C@H](O)COc1ccc(Cl)cc1)CC2 97202050 MCLHHFJIZRNLPB-ZDUSSCGKSA-N 349.818 1.937 0 40 EDAB CCn1ncc2c1CN(S(C)(=O)=O)C[C@@H]2COc1cccnc1 96044679 SDQZBSHMPQKFHQ-GFCCVEGCSA-N 336.417 1.236 0 40 EDAB c1cnc(N[C@@H]2CO[C@@]3(CCCN(CC4CCOCC4)C3)C2)nc1 96048407 KKTUIYXYBNMSEK-WMZOPIPTSA-N 332.448 1.939 0 40 EDAB COCCCNC(=O)c1nnn(Cc2ccccc2Cl)c1OC 96183578 QXQCEKZOBFTCND-UHFFFAOYSA-N 338.795 1.755 0 40 EDAB CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(C1)CN(Cc1ccc(F)cc1)C2 514289905 PWLAELCCRFHNMW-RBUKOAKNSA-N 347.478 1.787 0 40 EDAB biogenic,in-vitro Cn1cc(Br)cc(NC(=O)CN2CCCCC2=O)c1=O 96459195 QLKWNGJVTUXGOC-UHFFFAOYSA-N 342.193 1.099 0 40 EDAB CC1(C)OC(=O)c2c1ccnc2N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 583617476 XIDTXJFBVDJFLJ-VXNVDRBHSA-N 343.305 1.587 0 40 EDAB COC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2cncn2C1 96208024 SNABXRJRPOPSND-AWEZNQCLSA-N 335.429 1.659 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl 583651622 POCPBJXCLBLIOC-SNVBAGLBSA-N 331.265 1.358 0 40 EDAB Cc1nnccc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cncn1C 583619527 DZQWJBNNEZIRSS-XJKSGUPXSA-N 328.420 1.331 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)[C@H]1Cc3ccccc3S1)CC2 97199135 VXSCIKVHFIRXOG-TZMCWYRMSA-N 328.441 1.989 0 40 EDAB Fc1cnc(N2CCOC3(CCN(Cc4nccs4)CC3)C2)nc1 96159069 CIZUXGHULJVZNJ-UHFFFAOYSA-N 349.435 1.944 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)c2cc(OC)ccc2Cl)Cc2ccnn21 247963541 RLWPLKZSLSKXGD-CQSZACIVSA-N 348.790 1.488 0 40 EDAB CNC(=O)[C@@H]1CN(CCOc2ccc(Cl)cc2)Cc2ccnn21 247917356 BLKQQCOONYLRDH-HNNXBMFYSA-N 334.807 1.718 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CN(Cc2ccoc2)Cc2cncn21 247521111 XJRBYOVDZUGGAF-QGZVFWFLSA-N 337.383 1.744 0 40 EDAB O=C(c1ccnnc1)N1Cc2cccn2C[C@@H](Oc2cccnc2)C1 247852483 JIUZPUMLIJHGRG-QGZVFWFLSA-N 335.367 1.777 0 40 EDAB O=C(c1cocn1)N1CC2(C1)OCC[C@H]2COCc1ccccn1 247852475 JIKOKCYWUSPDBM-ZDUSSCGKSA-N 329.356 1.518 0 40 EDAB CC1(C)C[C@@H](O)CCN(C(=O)CCC(C)(C)N2CCOCC2)C1 585132150 PFGRGMOQUMVHQJ-HNNXBMFYSA-N 326.481 1.887 0 40 EDAB CN1CCN(C(=O)N2CCN(C(=O)c3ccoc3C3CC3)CC2)CC1 585126331 WRNBRWLDPUCDSF-UHFFFAOYSA-N 346.431 1.282 0 40 EDAB CC(C)OCCN1CCN(c2ccc(Br)nn2)CC1 585133035 OEAYKNLQKGCTFO-UHFFFAOYSA-N 329.242 1.786 0 40 EDAB CNC(=O)c1cc(C[C@H]2CCCN(Cc3cscn3)C2)ncn1 257208042 BKKIMIWJTIYGLZ-GFCCVEGCSA-N 331.445 1.747 0 40 EDAB CCc1ccc(C(=O)N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)cc1 257269326 MPMMPFYTNUZEQV-ROUUACIJSA-N 332.444 1.547 0 40 EDAB CC(=O)N1CCN(Cc2ccc3[nH]ccc3c2)[C@H](C(=O)N(C)C)C1 257317493 VJYDZVOHWYOVDA-KRWDZBQOSA-N 328.416 1.289 0 40 EDAB CCO[C@@H](C)C(=O)Nc1ccc(OCCN2CCNC2=O)cc1C 252496731 PQGGZBSSHLFJAK-ZDUSSCGKSA-N 335.404 1.763 0 40 EDAB Cc1ncsc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1 257224451 FBWOQNIOMZSDOJ-CHWSQXEVSA-N 348.380 1.414 0 40 EDAB CC(C)c1cc(C(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)on1 257267494 MHNIXLOREHWFRJ-KRWDZBQOSA-N 345.403 1.349 0 40 EDAB Cc1ncc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)c(C)n1 257305647 SQWNATRXGYQXIF-MRXNPFEDSA-N 341.415 1.768 0 40 EDAB Cc1ccnc([C@@H]2CCN(C(=O)CCn3nnc4ccccc43)C2)n1 257341268 ZJPAOYXPNNSFTJ-CQSZACIVSA-N 336.399 1.936 0 40 EDAB Cc1cc(N2CC[C@H](Oc3cccnc3N(C)C)C2)n2ncnc2n1 252483131 DVSBHRRFWBNRAL-ZDUSSCGKSA-N 339.403 1.551 0 40 EDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)c2cccnn2)n1 257226663 FLPOCMSGATYVKM-OAHLLOKOSA-N 326.404 1.614 0 40 EDAB COC(=O)COc1ccc(NC(=O)[C@@H]2CCC(=O)N2)c2ccccc12 268203654 BEVLXWKPLHXDSM-AWEZNQCLSA-N 342.351 1.609 0 40 EDAB CC(C)Oc1ccc(C(=O)O)cc1NS(=O)(=O)c1cn(C)cn1 267845223 AUIUZAUBIMGPFZ-UHFFFAOYSA-N 339.373 1.706 0 40 EDAB CCOCc1ccc(CNC(=O)CN[C@@]23CCC[C@H]2NCC3)cc1 1615057861 KYNDAGJFLWZEBF-IEBWSBKVSA-N 331.460 1.714 0 40 EDAB COC(=O)c1ccc(CN2C[C@@H](C(=O)OC)[C@H](c3cncn3C)C2)o1 1615615236 MKBTYGMLHFFAFO-CHWSQXEVSA-N 347.371 1.188 0 40 EDAB C[C@H](CO[C@H]1CCOC1)NC(=O)[C@H]1Cc2cc(F)ccc2NC1=O 1616037483 BVEACNWGCGRYOG-DDTOSNHZSA-N 336.363 1.247 0 40 EDAB Cc1nc(C)n(C2CN(S(=O)(=O)C[C@H]3CCCC(F)(F)C3)C2)n1 606445775 KPFFZKGLQNEIAM-LBPRGKRZSA-N 348.419 1.907 0 40 EDAB COc1cc(C(=O)O)ccc1S(=O)(=O)N[C@H](C)c1nc(C)no1 566179989 UUCWZJFHNWTZJZ-SSDOTTSWSA-N 341.345 1.124 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)CCc2cccs2)n1 71921233 XLCDPCFYOMIEMZ-UHFFFAOYSA-N 327.431 1.561 0 40 EDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)NCc1cccs1 36654553 OEJDBTUNGDGZOB-CQSZACIVSA-N 343.408 1.527 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1NS(C)(=O)=O 95389833 USWFWHMNXZTUCW-GFCCVEGCSA-N 340.401 1.303 0 40 EDAB CNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2)cc1 5234442 ZYWFVGCDUWBAOO-UHFFFAOYSA-N 334.397 1.785 0 40 EDAB CCc1nn(CC(=O)NCC2CC2)c(=O)c2cc3sccc3n12 12115297 NQXAHQVVXAJVOP-UHFFFAOYSA-N 330.413 1.799 0 40 EDAB Cc1noc(C)c1C(=O)N1[C@H]2CC[C@@H]1CC(O)(c1ccnn1C)C2 12224775 OINAZBLIMDHWBF-MPYYAJLASA-N 330.388 1.680 0 40 EDAB CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CC)c(=O)n2C 12516045 WLNRFDUDUWJRGD-UHFFFAOYSA-N 330.392 1.129 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 12922733 LWBQLBKAPRSFJE-NSHDSACASA-N 328.372 1.938 0 40 EDAB CCn1cc(CN2CCN(C(=O)[C@@H]3CC(=O)OC3(C)C)CC2)c(C)n1 19524565 FXCNGYREOQWSGD-HNNXBMFYSA-N 348.447 1.197 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19529731 ZJHQRZLSQPLXSE-SFDCBXKLSA-N 334.347 1.023 0 40 EDAB COc1cncc(O[C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)n1 225499079 ITPKHMIBSPOEQD-GFCCVEGCSA-N 332.360 1.774 0 40 EDAB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2oc(C(N)=O)nc2c1 585127713 HRCVXWXEDHVVFJ-MWLCHTKSSA-N 333.344 1.449 0 40 EDAB O=C([C@H]1CCOC1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390832153 XRDZDXCCXNCXDE-SWLSCSKDSA-N 341.404 1.550 0 40 EDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)[C@H]2C[C@H]2C)c1 4806758 IFVRHAFSRWEUGA-SKDRFNHKSA-N 349.339 1.398 0 40 EDAB Cn1c(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)nc2cccnc21 1889118403 BNFPFZIGCWWSRX-NSHDSACASA-N 335.433 1.019 0 40 EDAB Cn1nccc1C(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 238975525 ZUCDUICZNWGHJY-UHFFFAOYSA-N 343.774 1.280 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccccn5)C[C@H]4C3)n1)CCC2 2086964096 WGOBUZNLNMSEDW-GASCZTMLSA-N 349.438 1.877 0 40 EDAB Cn1nc(-c2ccncc2)c2c1CCN(C(=O)c1csnn1)CC2 1565553178 MXASCPKEGAPETK-UHFFFAOYSA-N 340.412 1.575 0 40 EDAB Nc1ncn(C[C@H](O)CO)c2nc(SCc3ccccc3)nc1-2 489119 SNDFULYPDOKCIL-NSHDSACASA-N 331.401 1.006 0 40 EDAB biogenic CCOCCCNC(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O 2952345 OWWOVOJEWUXFBP-UHFFFAOYSA-N 347.415 1.403 0 40 EDAB CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(C)c1 4061359 XCUKNQVNWATDPX-UHFFFAOYSA-N 343.412 1.655 0 40 EDAB CNC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1 9521410 DYFIIGOOYKEPMV-UHFFFAOYSA-N 349.803 1.600 0 40 EDAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(=O)c(OC)co1 16850868 VTYRIFWVBUUHGR-UHFFFAOYSA-N 332.312 1.868 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O 100105194 CNHJZJVZEVDQQG-LRDDRELGSA-N 336.413 1.650 0 40 EDAB CC(=O)Nc1ccc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 100220158 VWVXWMBAXJBMSV-OEUWWYETSA-N 328.324 1.016 0 40 EDAB CCOc1ccc(CC(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1 206977976 KAWJUDSBBCARHV-ZDUSSCGKSA-N 348.424 1.924 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CC[C@@H](Oc2ncccn2)C1 575611059 SCEYLZVNOIFTOT-SNVBAGLBSA-N 341.339 1.597 0 40 EDAB C[C@@H](C(=O)NCc1ccnc(N(C)C)c1)n1nc(C2CC2)ccc1=O 585411255 DXJGNUAUBSGJMZ-LBPRGKRZSA-N 341.415 1.459 0 40 EDAB COc1cccc(-c2nnn(C[C@H](O)COc3ccccc3)n2)c1 40496270 KYSSHZJBTBBJEC-AWEZNQCLSA-N 326.356 1.789 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Cn1nnc2ccccc2c1=O 40534953 NGBRBAXVYOKWIN-CZUORRHYSA-N 344.415 1.503 0 40 EDAB NC(=O)c1cc(NS(=O)(=O)c2cccc(C(=O)O)c2)ccc1F 32087199 DMLVGAKOWCFAMP-UHFFFAOYSA-N 338.316 1.424 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)c1 32469526 DFEWMPQYPYUTQZ-LBPRGKRZSA-N 339.413 1.663 0 40 EDAB CC(C)(C)c1noc(CCC(=O)N2CCN(c3ncccn3)CC2)n1 32658098 UFNSHLAURVXOAE-UHFFFAOYSA-N 344.419 1.439 0 40 EDAB NC(=O)C1CCN(C(=O)CSC(=S)N2CCCCC2)CC1 553410 NUIIFKZJLWSZAR-UHFFFAOYSA-N 329.491 1.214 0 40 EDAB CCN1CCN([C@H](C)CNC(=O)c2cc(OC)ccc2OC)CC1 46947539 JGSZQBLQBKUDPB-CQSZACIVSA-N 335.448 1.460 0 40 EDAB CCn1cnnc1CNC(=O)N1CCc2cc(OC)c(OC)cc2C1 46964879 MQEJCAVXNWGOFI-UHFFFAOYSA-N 345.403 1.583 0 40 EDAB O=C(COC(=O)c1cc2c([nH]c1=O)CCC2)NCc1cccs1 61446759 SMZHUOFMWZWWHZ-UHFFFAOYSA-N 332.381 1.398 0 40 EDAB COCCN1CCN(CC(=O)N2CCCc3cc(OC)ccc32)CC1 53844870 OFRKHPPKJPJSRY-UHFFFAOYSA-N 347.459 1.238 0 40 EDAB Cn1ncnc1CN(c1cccc(Br)c1)S(C)(=O)=O 78996481 HJLNDECPUVCPPU-UHFFFAOYSA-N 345.222 1.544 0 40 EDAB Cc1cc([C@H]2CCCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)n[nH]1 78901200 NROHOJUWHMNEJG-WMLDXEAASA-N 342.447 1.827 0 40 EDAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 815532 JXOOXCCQEJUERC-NSHDSACASA-N 346.412 1.985 0 40 EDAB Cc1cccc(Cn2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)n2)c1 2809613 UZRFOVBQZBITPB-MDBPOYHNSA-N 337.379 1.907 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)COc1ccc(N2CCCC2=O)cc1 42367816 FMPNUGYHTCTXQX-AWEZNQCLSA-N 342.399 1.594 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)CNC(=O)NC3CC3)c2O1 54366944 AXIXCBCLFWZCNZ-UHFFFAOYSA-N 347.415 1.357 0 40 EDAB NC(=O)[C@H]1CCN(Cn2c(=O)oc3cc(Br)ccc32)C1 54544422 WBHOUXBXVDAXFG-QMMMGPOBSA-N 340.177 1.122 0 40 EDAB COC(=O)CNC(=O)CN1C(=O)[C@@H](C(C)C)Oc2ccc(C)cc21 4970854 DTCBNSISZGUBJE-MRXNPFEDSA-N 334.372 1.034 0 40 EDAB CN(C)CCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4983941 YHHFVRCRKDIITC-SSZFMOIBSA-N 326.400 1.463 0 40 EDAB Cc1ccc(CC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cc1 47635066 KBZAKTCZUMVBOC-ZWKOTPCHSA-N 332.444 1.391 0 40 EDAB COc1cccc([C@H]2CCCN2C(=O)CCNS(C)(=O)=O)c1 47669015 OKNYRCAZQVKUAF-CQSZACIVSA-N 326.418 1.298 0 40 EDAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)Nc3ccccc3F)nn12 8394459 KRWNIEPVQVPRGK-SNVBAGLBSA-N 343.318 1.756 0 40 EDAB Cc1cccc(NCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c1C 12532717 YPMRAKLUPYOGPS-UHFFFAOYSA-N 328.372 1.365 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@H]2CCCO)C1 106583135 MQBPGQQVFGRTRN-GJZGRUSLSA-N 326.437 1.025 0 40 EDAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCO[C@@H](CN(C)C)C1 106787376 LNPRSTPYWDXNPQ-PBHICJAKSA-N 337.439 1.608 0 40 EDAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 106909619 RGVASCYNOBNVGL-ZJPYXAASSA-N 332.419 1.987 0 40 EDAB O=C(NC[C@@H](O)Cc1ccc(F)cc1F)c1cnn2c1CCCC2 97136747 FPJOPLNLPRRZOE-ZDUSSCGKSA-N 335.354 1.831 0 40 EDAB COC(=O)CC1=C(C(=O)OC)[C@H](c2ccccc2)N(C)C(=O)N1C 24926856 CHKIUWWQKVRTGP-HNNXBMFYSA-N 332.356 1.715 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)NCc2ccccn2)c1 61964152 ZFJBHDHWVWCMMU-HNNXBMFYSA-N 331.372 1.632 0 40 EDAB C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CC[C@H](C(N)=O)C1 48034656 HALNXDUVSJMYJZ-QAPCUYQASA-N 343.471 1.663 0 40 EDAB C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC(CC(N)=O)CC1 48026172 NLXBDSUHSZNKTR-XJKSGUPXSA-N 345.443 1.602 0 40 EDAB CNc1snc(C)c1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 95351878 CGNMMGPHVSBWAT-LBPRGKRZSA-N 340.493 1.658 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)NCc1ccc(N2CCOCC2)nc1 27351245 WKXPGKJOUKBLDB-CQSZACIVSA-N 344.415 1.942 0 40 EDAB CCCN(CC(F)(F)F)C(=O)CN(C)C(=O)[C@H](C)n1cccn1 58271871 ZYSNSNZQRBWCEQ-NSHDSACASA-N 334.342 1.703 0 40 EDAB CCNC(=O)COc1cccc([C@H](C)NC(=O)c2cnn(C)c2C)c1 58283865 OKKICEAXXJLBDJ-LBPRGKRZSA-N 344.415 1.734 0 40 EDAB CCOC(=O)C[C@H](NC(=O)N[C@H](C)C(=O)N(C)C)c1ccccc1 58265231 JVYHJGZQBJXBIO-OCCSQVGLSA-N 335.404 1.457 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)NC1CCN(C(=O)C2CC2)CC1 44979674 LHMVQPJROJCSFS-HNNXBMFYSA-N 335.448 1.295 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)C1 44935811 QHUVORUCRATRTL-OAHLLOKOSA-N 338.477 1.176 0 40 EDAB CCc1ccc([C@H](CNC(=O)NCc2nncn2CC)N(C)C)cc1 44950261 CUZSAJGKFQEACF-INIZCTEOSA-N 344.463 1.963 0 40 EDAB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC(CC(N)=O)CC1 44953989 OOWQIUGSOCYCCZ-CHWSQXEVSA-N 335.452 1.769 0 40 EDAB CC(C)C(=O)NC1CCN(Cc2cc(=O)n3ccsc3n2)CC1 48290886 IDGOWEQLZIYRHY-UHFFFAOYSA-N 334.445 1.493 0 40 EDAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCCC(=O)Nc1ccccn1 58393247 PREPLYXGSVNIAN-KGLIPLIRSA-N 335.404 1.501 0 40 EDAB CCc1nc(CC(=O)Nc2ncn(Cc3cccnc3)n2)cs1 58304620 OGXPJXXFTBDQOE-UHFFFAOYSA-N 328.401 1.922 0 40 EDAB O=C1[C@@H](NC[C@@H]2CNc3ccnn3C2)CCN1Cc1ccccc1 58345364 XQCUHFAYEPSFEB-CVEARBPZSA-N 325.416 1.316 0 40 EDAB CC(=O)N1CCC(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)CC1 45057710 RCUIHXANQQPIFT-INIZCTEOSA-N 333.363 1.446 0 40 EDAB COc1ccc(CCN2CCN(C(=O)[C@@H](C)n3cncn3)CC2)cc1 58418078 MXGWCLYIRGGKCF-OAHLLOKOSA-N 343.431 1.235 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(C[C@@H](O)c3ccc(F)cc3F)C2=O)cn1 72914629 XTXYOEWFRNLGRL-IAQYHMDHSA-N 349.337 1.350 0 40 EDAB CCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1nnnn1-c1ccccc1 84789166 JVDOHKXQIBTCCD-ZFWWWQNUSA-N 343.435 1.507 0 40 EDAB C[C@H](NC(=O)C[S@@](=O)Cc1cccc2ccccc12)C(=O)N(C)C 95417596 VOJFRVBLVBIAIB-RKNYENMMSA-N 346.452 1.681 0 40 EDAB CC(C)CCNC(=O)NC(=O)CSc1nnnn1-c1ccccc1 3504088 LAJQZENEGRJZFV-UHFFFAOYSA-N 348.432 1.626 0 40 EDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)n1 71284481 BNOJIRMBDNMJAK-QWHCGFSZSA-N 343.387 1.883 0 40 EDAB CCCN(C)c1ccc(C(=O)NCCCN(C)S(C)(=O)=O)cc1 64034240 JLEODPMQOLCLRC-UHFFFAOYSA-N 341.477 1.544 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2ccc(C)s2)NC(=O)N[C@@H]1C 6052225 TVMAZTUMHDYBLG-SECBINFHSA-N 338.385 1.732 0 40 EDAB Cc1nnc(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)s1 5002177 XXMHOVMWWUWOJT-UHFFFAOYSA-N 349.441 1.768 0 40 EDAB COC[C@@H](O)CN(C)C(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 65449215 VGNBUSHYSXAHSG-OCCSQVGLSA-N 338.404 1.558 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@H](C)Cn3ccnc3)CC2)no1 65447707 BGNCBYSJQJJBIG-CYBMUJFWSA-N 332.408 1.095 0 40 EDAB CC(C)NC(=O)N1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 65500835 SNERJODYIQVUCV-UHFFFAOYSA-N 347.419 1.070 0 40 EDAB CCCCN(Cn1ncc2ccccc2c1=O)[C@H]1CCS(=O)(=O)C1 14189703 UWOILRQKSHYSQT-HNNXBMFYSA-N 349.456 1.643 0 40 EDAB Cc1ccc(-c2noc(CSc3nc(N)nc(N)n3)n2)cc1F 14196546 QHHMLZYEKXFLNE-UHFFFAOYSA-N 333.352 1.826 0 40 EDAB Cc1ccnn1-c1ccc(C(=O)N2CCNC(=O)[C@H]2C(C)C)cc1 65606774 IDVGGPOTBQCWDK-MRXNPFEDSA-N 326.400 1.777 0 40 EDAB CC[C@](C)(O)CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 66158555 XSQLLYHYFMSTKW-AWEZNQCLSA-N 345.421 1.151 0 40 EDAB O=C([C@@H]1CCCCN1C(=O)c1cc(F)cc(F)c1)N1CCOCC1 66486404 YISRPJRNRWWYNA-HNNXBMFYSA-N 338.354 1.818 0 40 EDAB COc1cc(/C=C/C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1O 4836114 MYBJTADYLRAMAC-MVTQWGDUSA-N 349.383 1.593 0 40 EDAB CC/C=C(\C)C(=O)NS(=O)(=O)c1cc(NC(C)=O)ccc1OC 96295088 GTXIUHWKAGKDLG-UXBLZVDNSA-N 340.401 1.815 0 40 EDAB CN(c1cccnn1)C1CCN(C(=O)CCc2cscn2)CC1 72279601 OXKIKUHQDKSPDC-UHFFFAOYSA-N 331.445 1.993 0 40 EDAB COc1ccc(CNC(=O)CSc2nc(C)cc(N)n2)cc1OC 7048442 RJNOXZLQJPWYMW-UHFFFAOYSA-N 348.428 1.793 0 40 EDAB CN1CCN(C[C@@H]2CCCN(C(=O)c3cc(F)ccc3O)C2)CC1 80027894 NKIZQHCERCJWKY-AWEZNQCLSA-N 335.423 1.631 0 40 EDAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ncnc2nc[nH]c12 9478640 BMDVKXGPSFPPSO-QMMMGPOBSA-N 327.300 1.243 0 40 EDAB c1cc(N2CCOCC2)n2cc([C@@H]3CNCCN3CC3CC3)nc2c1 306127879 GJSVOESVSMGGQW-KRWDZBQOSA-N 341.459 1.527 0 40 EDAB O=C(CNC[C@@H]1CCCN1c1cccnn1)NCc1ccc(F)cc1 72276715 ULHBHJSDICMXQZ-INIZCTEOSA-N 343.406 1.491 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)N1CCC[C@@H](n2ccnc2)C1 71796552 CDDBFVFZINXKGZ-GFCCVEGCSA-N 343.412 1.518 0 40 EDAB NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 7769978 QLSKYLCHQQXLCF-GFCCVEGCSA-N 327.340 1.366 0 40 EDAB C[C@@H](Cn1cncn1)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 97083880 OPGCXVKIBYZWEY-JTQLQIEISA-N 335.774 1.830 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)CN3CCSC3=O)CC2)cc1 7962321 LIPGWKAWNZXWOA-UHFFFAOYSA-N 347.440 1.707 0 40 EDAB O=C1[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1cccc(Cl)c1 409285997 VHPVVWPOALRPKC-KOFHJDLBSA-N 347.754 1.526 0 40 EDAB CC(C)C(=O)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 71885741 PUNSUDBICBQESC-UHFFFAOYSA-N 348.834 1.877 0 40 EDAB C[C@H](Oc1c(CO)cc(F)cc1CO)c1nnnn1-c1ccccc1 69144580 AXFIVEZLJYZCRC-NSHDSACASA-N 344.346 1.926 0 40 EDAB Cn1c(CN(C2CC2)[C@@H]2CCc3ccccc32)cc(=O)n(C)c1=O 71826825 DLRNYEAFYHNNOE-QGZVFWFLSA-N 325.412 1.736 0 40 EDAB COCCOc1ccc(CNC[C@@H]2CNc3cc(C)nn3C2)cn1 69371415 DCRGYNUVNANLRS-OAHLLOKOSA-N 331.420 1.443 0 40 EDAB O=C(COC(=O)CCN1C(=O)COc2ccccc21)NC1CCCC1 8342188 VREWQSVUDKRHSQ-UHFFFAOYSA-N 346.383 1.404 0 40 EDAB C[C@@H](NC(=O)CNC[C@H]1CCCN1c1cccnn1)c1ccco1 71859867 HCBHRZVUVZHROC-ZIAGYGMSSA-N 329.404 1.505 0 40 EDAB CC(C)c1ncc(Cl)c(C(=O)NCC2(C(N)=O)CCOCC2)n1 71839260 XEOCQMROTIUADN-UHFFFAOYSA-N 340.811 1.265 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(CCC(=O)Nc2cccc(F)c2)C1 69416531 PEKIUEYIMXPLAT-AWEZNQCLSA-N 343.424 1.168 0 40 EDAB CC(C)NC(=O)Nc1ccc(C(=O)N(C)CCN2CCOCC2)cc1 69414707 CETSAFGFSJWTMP-UHFFFAOYSA-N 348.447 1.621 0 40 EDAB CN(C)C(=O)CCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F 69488452 GBFACJUPMSAXMM-UHFFFAOYSA-N 342.314 1.601 0 40 EDAB CC(C)NC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 71856584 UHCTWWXZQKFROA-ZDUSSCGKSA-N 343.424 1.686 0 40 EDAB COc1cc(C(=O)O[C@H](C)C(=O)NC(C)C)cc(OC)c1OC 8498975 SDLVTGMNPZYASB-SNVBAGLBSA-N 325.361 1.782 0 40 EDAB CCOc1ccc(C(=O)N2CCCN(c3ccc(C)nn3)CC2)cn1 69598219 JFOMPMFNAFLFAD-UHFFFAOYSA-N 341.415 1.931 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc2ccccc2[nH]1 69520589 ADVADUHPLJRYKB-KRWDZBQOSA-N 342.443 1.840 0 40 EDAB CCc1nnc2n1CCN(CCCc1nnnn1-c1ccccc1)C2 69597540 ABLJBEQNDDFNMM-UHFFFAOYSA-N 338.419 1.265 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)c2cccnc2N(C)C)c1 69538198 OGCAOCPGNNBCQZ-OAHLLOKOSA-N 345.399 1.628 0 40 EDAB CCc1nnc2n1C[C@@H](CNCc1cnc(N3CCCC3)nc1)CC2 83834404 QUSMELIMMUGJMG-CQSZACIVSA-N 341.463 1.583 0 40 EDAB CCc1nc(CN2CCC[C@@H](NCC(=O)Nc3cc(C)no3)C2)no1 69879754 HERQKJDXUMRDIX-GFCCVEGCSA-N 348.407 1.121 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)Cc2noc3ccccc23)CC1 69929687 MJBAXCILQFRWHV-KRWDZBQOSA-N 345.443 1.922 0 40 EDAB O=C(NC[C@H]1CCCO1)N[C@H]1CCCN(c2cccc(F)c2)C1=O 69976821 UIDUAQBHYXUTBA-CABCVRRESA-N 335.379 1.799 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1nc2ccccc2[nH]c1=O 97201333 XZNHHYJFZDKRNH-GOSISDBHSA-N 348.406 1.596 0 40 EDAB CC(=O)NCC(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 97371274 DCZZPVUPSNIKCG-UHFFFAOYSA-N 326.278 1.966 0 40 EDAB O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CC[C@]2(CCOC2)C1 95410774 IVVPFYPDRVVCJU-QAPCUYQASA-N 332.375 1.818 0 40 EDAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(N)=O)cc1 22230917 CKWZFIASJFFRJY-UHFFFAOYSA-N 334.397 1.517 0 40 EDAB CO[C@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 89274044 CFWMFNOZHQLTPV-SKDRFNHKSA-N 330.306 1.740 0 40 EDAB CCS(=O)(=O)N1CCN([C@@H]2CCc3c(F)ccc(F)c32)CC1 89274358 OMJIRCBJOOJVQU-CQSZACIVSA-N 330.400 1.919 0 40 EDAB CNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2F)CC1 89386134 LIYGJYUAEPPZCS-UHFFFAOYSA-N 328.775 1.375 0 40 EDAB CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 75136949 WMHGBALIMHIKLT-CQSZACIVSA-N 339.395 1.640 0 40 EDAB Cc1cc(C(=O)NCc2csc(NC(=O)c3cc(C)n[nH]3)n2)[nH]n1 75138447 UPUIUACASVOWRQ-UHFFFAOYSA-N 345.388 1.388 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)OC3CCCCC3)cnc21 89960697 PEPWEGXDICFHTH-UHFFFAOYSA-N 331.372 1.984 0 40 EDAB O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCN(CCO)CC1 75572194 MYFUHLVKKOZWQM-UONOGXRCSA-N 342.361 1.945 0 40 EDAB Cc1cc(C)n(Cc2cccc(C(=O)N3CCN(CCO)CC3)c2)n1 75604855 STSXTARKBNTLMC-UHFFFAOYSA-N 342.443 1.298 0 40 EDAB CCN(CC)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 20492401 FJMJYGJDEXOGFI-UHFFFAOYSA-N 331.413 1.307 0 40 EDAB Cc1oc(NC(=O)CN2CCCC3(CC3)S2(=O)=O)nc1C1CC1 1548452858 CXWQLAMTNZBMEE-UHFFFAOYSA-N 339.417 1.757 0 40 EDAB Cc1cc(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)[nH]n1 67810448 HMQALVWEAJJBLS-AWEZNQCLSA-N 328.416 1.869 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)O)c(F)cc1F 547554510 PEWLXNKPBSUKMM-SKDRFNHKSA-N 349.355 1.431 0 40 EDAB CCCNC(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 35338900 MYRRIYLKOSGOAE-UHFFFAOYSA-N 338.839 1.698 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC)(C(=O)OC)N[C@H]2c1cccc(F)c1 36068002 OFRUCNWWBRLFDL-AHXJXLJNSA-N 348.374 1.413 0 40 EDAB O=C1CN(C(=O)[C@@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)CCN1 72334240 JIUXFINONWPVSP-MYFFOXHASA-N 340.379 1.005 0 40 EDAB CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCCN(C(=O)CN)C1 79412487 WLFVBOYDDVNHIO-INIZCTEOSA-N 333.432 1.983 0 40 EDAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Cn2cc(Cl)cn2)CC1 32648248 REMPIQZZFPILAB-NSHDSACASA-N 327.812 1.974 0 40 EDAB CCNc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 217712491 BYWJQLASDLHABN-JTQLQIEISA-N 328.390 1.274 0 40 EDAB Cc1sc(-n2cnnn2)c(C(=O)NC[C@@H](O)c2ccccc2)c1C 36358635 SOTCERDCZKLGCO-CYBMUJFWSA-N 343.412 1.804 0 40 EDAB COc1ccccc1N1CCN(c2nc(N)nc3[nH]cnc23)CC1 31818945 NLHQCRVFOMSNQN-UHFFFAOYSA-N 325.376 1.270 0 40 EDAB NC1=NC(=O)[C@H](CC(=O)Nc2ccc3nc(C4CC4)oc3c2)S1 79968329 MQMOMRBIAQZHIW-NSHDSACASA-N 330.369 1.991 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)NC[C@H](O)c2cccs2)cc1 74559043 DOSXFPVLKUFDSN-ZDUSSCGKSA-N 325.411 1.963 0 40 EDAB COc1ccc(NC(=O)[C@]23C[C@@H]2CCN(C)S3(=O)=O)cc1Cl 225953364 BGKVHZLJNMQHHL-XPTSAGLGSA-N 344.820 1.711 0 40 EDAB CC(=O)N1CCN(C(=O)N[C@@H](C)c2nc3c(s2)CCC3)[C@H](C)C1 568965698 SBQGPTVWRCJSBZ-MNOVXSKESA-N 336.461 1.955 0 40 EDAB O=C1NCCN(Cc2cc[nH]n2)[C@H]1c1ccc(OC(F)(F)F)cc1 191656338 ZCIPOQZSTJQOHK-ZDUSSCGKSA-N 340.305 1.981 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)Cc1cccc(F)c1)C1CCOCC1 571039779 KDKSFVLTPRGYIO-CQSZACIVSA-N 345.392 1.373 0 40 EDAB O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1CCCN1 225387562 JNVJQCODRAVLMW-HZPDHXFCSA-N 337.851 1.582 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc2c(s1)CCC2 47443488 TVGMPVFURIGBCX-UHFFFAOYSA-N 326.385 1.789 0 40 EDAB CC(C)(C)N1C(=O)C[C@H](NCC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 225420829 HMIYCSQGPMSLCA-WFASDCNBSA-N 341.814 1.995 0 40 EDAB COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC(=O)N(C)C)cc1 96110742 ZPBOMMDXLXFXIY-IAGOWNOFSA-N 345.443 1.349 0 40 EDAB C[C@@H]1CCCN(c2ncc3c(n2)[C@H]2CN(C)C[C@H]2S(=O)(=O)C3)C1 96251990 ZDFBFUWCHJKNNZ-KWCYVHTRSA-N 336.461 1.039 0 40 EDAB O=C(C[C@@H]1CO[C@@H]2CN(Cc3nccs3)C[C@H]12)NCc1ccco1 96218922 CTTYEFDXEHLKEJ-BPLDGKMQSA-N 347.440 1.889 0 40 EDAB Cc1cc(CN2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@H]3C2)no1 96043411 LRDRTXQDVLTIHJ-BRWVUGGUSA-N 333.432 1.736 0 40 EDAB Cc1ccc(CCNC(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)nc1 333543598 SLXOWRSDYHFASJ-CHWSQXEVSA-N 325.434 1.150 0 40 EDAB O=C(NCc1cccnc1)[C@]12COC[C@H]1CN(Cc1ccoc1)C2 96110071 DOLORBNFTYDIAL-SJLPKXTDSA-N 327.384 1.439 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96075421 QOUXSOFGCFYSRK-MRXNPFEDSA-N 343.427 1.602 0 40 EDAB CCn1nc(C)cc1C(=O)N1C[C@@H]2C[C@@H](Cc3nnc(C)o3)O[C@@H]2C1 96215893 AUGPYSVVJWALTI-KCQAQPDRSA-N 345.403 1.375 0 40 EDAB Cc1nc(CN2CCO[C@H]3CN(CC4CCOCC4)C[C@H]32)cs1 96248780 CHHFCGNQTZQEEO-SJORKVTESA-N 337.489 1.763 0 40 EDAB c1cn(C[C@@H]2CO[C@@]3(COCCN(CC4CCOCC4)C3)C2)cn1 96052084 BLYASCITYFFUQL-MSOLQXFVSA-N 335.448 1.417 0 40 EDAB Cc1nc(CN2CC[C@]3(CC(C(=O)NC4CCC4)=NO3)C2)cs1 96225556 SMLOKEOOJOQIRZ-INIZCTEOSA-N 334.445 1.841 0 40 EDAB Cc1cncc(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)c1 96188638 DXDJAQHMDDDXJH-AWEZNQCLSA-N 337.387 1.150 0 40 EDAB Cc1occc1C(=O)N1CCOC[C@]2(C[C@@H](Cn3cnnc3)CO2)C1 96240621 JMOKKOGKTUMLDJ-YOEHRIQHSA-N 346.387 1.127 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 96043080 AJLVOPJDYAIBMZ-RYQLBKOJSA-N 341.411 1.970 0 40 EDAB Cc1nn(C)c2[nH]nc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)c12 96406190 LTUDYEODLQKIDP-JTQLQIEISA-N 342.359 1.185 0 40 EDAB Fc1cccc(CN2Cc3nccn3C[C@H](CN3CCOCC3)C2)c1 96067006 QGLWJJHCUGEGER-QGZVFWFLSA-N 344.434 1.986 0 40 EDAB CO[C@@H]1CCN(S(=O)(=O)c2ccccc2)[C@H]1Cc1cnn(C)c1 96200202 CFRRSNYARQRNAD-JKSUJKDBSA-N 335.429 1.441 0 40 EDAB Cn1ccnc1C(=O)N1CCN(CCOc2ccccc2Cl)CC1 96421325 VLQHXNDVPOVMKB-UHFFFAOYSA-N 348.834 1.910 0 40 EDAB Cc1ccc(CN2C[C@@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)o1 248135837 OMIVTJATXAGZBQ-BRWVUGGUSA-N 344.415 1.483 0 40 EDAB COc1cc(N2CC3(CC[C@H](CN4CCCCC4=O)CO3)C2)ncn1 247878373 HWAWTRZYUXGINT-CQSZACIVSA-N 346.431 1.483 0 40 EDAB COc1cnc(N2CCC[C@@H](CO)C2)c(I)c1 585092954 VSQPZMIKAGIYES-SECBINFHSA-N 348.184 1.904 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NN2CCCc3ccccc32)cn1 585087507 ZTZNDSBFVVSBMD-UHFFFAOYSA-N 346.412 1.087 0 40 EDAB CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(OC)ns1 585114142 JJXNAQWERPJOKW-LLVKDONJSA-N 335.385 1.451 0 40 EDAB O=C(CC[C@H]1CCCO1)Nc1n[nH]cc1I 585127918 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TVYBASPXJYIUKE-UXLLHSPISA-N 331.393 1.656 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)nc(C)n1 257316348 VFEKJUDHMBBIPD-KRWDZBQOSA-N 343.431 1.668 0 40 EDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)C2CCOCC2)n1 257331486 XTBFMFJNHKWOJF-QGZVFWFLSA-N 331.416 1.808 0 40 EDAB C1C[C@@H](NCc2nnnn2C2CC2)CN(Cc2noc(C3CC3)n2)C1 69705975 IISUBXUNKYUIKI-GFCCVEGCSA-N 344.423 1.023 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(Cc2cscn2)CC1 257201126 AGKIKBVUAYHZMZ-UHFFFAOYSA-N 331.445 1.949 0 40 EDAB CC(C)C[C@@H](NS(=O)(=O)NC(C)C)C(=O)Nc1nccs1 272260241 AZRXOYFRTLNDMQ-SNVBAGLBSA-N 334.467 1.329 0 40 EDAB CN(CC(CO)CO)C(=O)C1(c2cc(F)cc(F)c2)CCCC1 1615586478 OUKVFUWCNKDXNP-UHFFFAOYSA-N 327.371 1.836 0 40 EDAB Nc1nc(Cl)c(N)c(NCc2ccccc2N2CCOCC2)n1 1615549020 GFHQHSLQZFEQDK-UHFFFAOYSA-N 334.811 1.743 0 40 EDAB COc1ccc(C2(CNC(=O)N3CCNC3=O)CCOCC2)cc1 96120228 BTSPOBBSNFTUAC-UHFFFAOYSA-N 333.388 1.478 0 40 EDAB CC(C)(C)n1ncc2c(O)nc(NC[C@@H](N)c3ccccc3)nc21 574744733 RJKFWJBFHZCBQD-CYBMUJFWSA-N 326.404 2.399 0 40 EDAB O=C(C[C@H]1OCCc2ccccc21)N[C@@H](Cc1ccncc1)C(=O)O 655599773 YJJJXQDMDILLEP-DLBZAZTESA-N 340.379 1.898 0 40 EDAB O=S1(=O)C[C@H](O)[C@@H](N(Cc2ccccc2)c2cccc(O)c2)C1 575422393 VMVGLCFBSZSLSZ-IRXDYDNUSA-N 333.409 1.557 0 40 EDAB CS(=O)(=O)NCC[C@H]1CN(Cc2ccsc2)Cc2ccnn21 585111765 BHBDDIDIUKJOSN-AWEZNQCLSA-N 340.474 1.441 0 40 EDAB CCCCc1noc(CC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)n1 585140529 GVFDMQAIURASQA-AWEZNQCLSA-N 348.447 1.720 0 40 EDAB CN(C)C[C@]12COC[C@H]1CN(C(=O)c1cn(C)nc1C(F)F)C2 585108265 KPNVMANGMXYNAN-BMIGLBTASA-N 328.363 1.008 0 40 EDAB CN(Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCc2ccncc2)[C@@H]1O 585281038 RYFNKOYSPIEXDR-QRVBRYPASA-N 339.439 1.969 0 40 EDAB O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(Cn2cccn2)C1 585290926 XWYKYLUNZMUVJN-NVXWUHKLSA-N 349.818 1.104 0 40 EDAB CC(C)C(=O)N1Cc2cncn2[C@@H](C(=O)NCc2cccs2)C1 585096153 VVTMRWWWFQFGQY-CQSZACIVSA-N 332.429 1.800 0 40 EDAB Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1(O)CCOCC1 70639023 JWVJBMKDTXKJDS-UHFFFAOYSA-N 326.780 1.245 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 71881896 QIRBNSVNCORIOU-INIZCTEOSA-N 331.416 1.323 0 40 EDAB CNC(=O)c1ccc(OC)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 71817309 YUAYCWNGWXSWOR-VXGBXAGGSA-N 332.356 1.660 0 40 EDAB Cc1cc(=O)n(Cc2nc(O)c3cnn(C)c3n2)cc1C(F)(F)F 882343979 DNUDWMGWRLQRBA-UHFFFAOYSA-N 339.277 1.606 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@H](O)C1 74479564 CQLKUPWJNCNMDH-AEFFLSMTSA-N 346.475 1.363 0 40 EDAB CCS(=O)(=O)NC1CCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 40527885 OFRAIHNRJOFZNZ-LLVKDONJSA-N 343.276 1.501 0 40 EDAB O=C(NCCCn1cccn1)N[C@@H]1CCN(c2ncccc2Cl)C1 89773213 NVPIMMDDWGSZPV-CYBMUJFWSA-N 348.838 1.900 0 40 EDAB Cc1ccc(CN2CCN3C(=O)OC4(CN(C(=O)C5CC5)C4)[C@H]3C2)o1 1549162407 USYFKPGWHMIDJO-OAHLLOKOSA-N 345.399 1.215 0 40 EDAB O=C(OCC(=O)N1CCNC1=O)c1ccc(Br)cc1 5061440 UHIYMQJDGQQZCK-UHFFFAOYSA-N 327.134 1.158 0 40 EDAB COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)NCCO 13382108 ZZTGSMYPHXMTNJ-SSZFMOIBSA-N 340.379 1.575 0 40 EDAB CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC 16610191 RSKNHBNCODIVAK-NSHDSACASA-N 344.433 1.239 0 40 EDAB CC1(C)C[C@@H]1C(=O)NS(=O)(=O)c1ccc(-n2cccn2)c(F)c1 154315353 AYVYAGRKTLINAR-LLVKDONJSA-N 337.376 1.862 0 40 EDAB CCCn1nccc1C(=O)N1CCC[C@]12CC(C)(C)O[C@H]2CC(N)=O 643585988 LIQRDRQMKRENPW-KBXCAEBGSA-N 348.447 1.711 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](Oc2ncc(F)cn2)C1 390827620 IJAHNJVMYVOPRA-LLVKDONJSA-N 342.352 1.063 0 40 EDAB NC(=O)[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1 11683399 DOGYDJDXACVVGD-AWEZNQCLSA-N 341.302 1.185 0 40 EDAB CC(C)(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O 6393826 FLZKTBPZVNDUOI-SFHVURJKSA-N 346.383 1.840 0 40 EDAB Oc1nc(N2CCN(c3ncc(F)cn3)CC2)nc(C2CC2)c1F 1888855719 BEZYACTZWUCXRD-UHFFFAOYSA-N 334.330 1.454 0 40 EDAB O=C(c1cc2ccccn2c1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1888879286 WXLQNTWLJIFCAO-HOTGVXAUSA-N 333.395 1.938 0 40 EDAB CCOCCCNC(=O)NCCn1c(C)nc2sccc2c1=O 253472860 QDBUWPKRCKKACS-UHFFFAOYSA-N 338.433 1.492 0 40 EDAB CCn1cc(CN2CCC3(CC2)CC(NS(=O)(=O)CC)C3)cn1 1565541755 UGMLUSDGLLINPS-UHFFFAOYSA-N 340.493 1.587 0 40 EDAB Cc1ccc(N[C@H]2CO[C@]3(CCN(C(=O)C4(F)CCC4)C3)C2)nn1 1565550964 HVIBFTPFGUUHMT-CZUORRHYSA-N 334.395 1.849 0 40 EDAB O=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]2O1 1565546110 VREVFMZNYQJTEL-VBNZEHGJSA-N 343.383 1.544 0 40 EDAB Cc1ccc2nc(SCC(=O)NCc3ccco3)nc(=O)n2c1 4503650 MTNOMWBPFXQGAI-UHFFFAOYSA-N 330.369 1.399 0 40 EDAB CC1CCN(C(=O)c2ncn3c2CC[C@@H](C(=O)NC2CCC2)C3)CC1 2055714578 IVSDGKZUAQPJID-CQSZACIVSA-N 344.459 1.986 0 40 EDAB CSc1nc(C)cc(N2CCN([C@H](C)C(=O)NC(C)C)CC2)n1 2086865226 YDUSTHZBTHYDLQ-CYBMUJFWSA-N 337.493 1.542 0 40 EDAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(S(=O)(=O)CC(=O)O)C2 575413747 JQCNCGLKJXRZEF-UWVGGRQHSA-N 333.406 1.416 0 40 EDAB CC(=O)OC(C)(C)C(=O)N1CCC[C@@H](Oc2cc(C)nc(C)n2)C1 575609479 LWMPXFMBOAMPLT-CQSZACIVSA-N 335.404 1.805 0 40 EDAB O=C(C1CCN(c2cnc3ccccc3n2)CC1)N1CCOCC1 30763541 WMSZEFKLKMAYFT-UHFFFAOYSA-N 326.400 1.705 0 40 EDAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccnc2)n2nnnc2N1 66817 LCHDMQAZSINWPX-CQSZACIVSA-N 334.343 1.391 0 40 EDAB O=C(NCC(=O)N1CCCC1)C(=O)Nc1cccc2c(O)cccc12 40286116 LTRQRAAQPOBQRU-UHFFFAOYSA-N 341.367 1.223 0 40 EDAB COc1ncccc1CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 31321759 RGIXHWGGNCXTCW-ZDUSSCGKSA-N 329.331 1.972 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)Cn3cccn3)CC2=O)cc1 31400789 NXWUKNXQIOZOSI-UONOGXRCSA-N 342.399 1.450 0 40 EDAB COc1cccc(N2C[C@H](C(=O)N[C@H](C)Cn3cccn3)CC2=O)c1 31401011 ZXQJXTKDXRGYEA-ZIAGYGMSSA-N 342.399 1.450 0 40 EDAB Cc1c(C(=O)NC2CCN(S(C)(=O)=O)CC2)oc2ccccc12 40497305 SKKIUFCIGURNGO-UHFFFAOYSA-N 336.413 1.895 0 40 EDAB O=C1C[C@H](N(C(=O)c2ccc(F)c(C(F)(F)F)c2)C2CC2)C(=O)N1 100712276 SAZLWLTZWLWPFE-NSHDSACASA-N 344.264 1.864 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(OC[C@H]2CCCO2)cc1 40534200 SOHPUHQEOSKXKQ-QZTJIDSGSA-N 346.427 1.872 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)NCc1ccnc(-n2cccn2)c1 40525093 QWJXFEWUYLFVFU-JTQLQIEISA-N 328.294 1.851 0 40 EDAB COc1c(C)cnc(CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1C 51470809 AJXFVCRGIADJGN-HNNXBMFYSA-N 345.443 1.972 0 40 EDAB CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc(OC)c(OC)cc1F 32072973 ORVVPQNDRWSFID-NSHDSACASA-N 348.440 1.852 0 40 EDAB O=C(CCN1C(=O)CCC1=O)Nc1ccccc1N1CCCC1=O 21600140 IQWUUPLRBONJKG-UHFFFAOYSA-N 329.356 1.291 0 40 EDAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1CC(=O)N1CCOc2ccccc21 103100538 TYDQTVRCBYYYBT-STQMWFEESA-N 328.368 1.587 0 40 EDAB CCn1cnnc1CNC(=O)N1CCN(Cc2cccc(C)c2)CC1 46965597 QNPAMRSUVTZURE-UHFFFAOYSA-N 342.447 1.634 0 40 EDAB COC[C@@H](C)N1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC1 78728695 CLSDMPOAQPMZFE-CYBMUJFWSA-N 329.400 1.321 0 40 EDAB Cc1cccn2c(=O)cc(CN3CCn4c(nnc4C4CC4)C3)nc12 78788027 DHRAWDSAOADVAE-UHFFFAOYSA-N 336.399 1.488 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cccc4[nH]ncc34)CCO2)n1 78890219 JGEDGDZHMOFKGA-CQSZACIVSA-N 340.387 1.847 0 40 EDAB O=C(Cn1cc(I)cn1)Nc1cccnc1 1432966 QNZVWLOBFBINBD-UHFFFAOYSA-N 328.113 1.521 0 40 EDAB Cc1ccc(N2CCC(NC(=O)NC[C@@H]3CCC[C@H]3O)CC2)nc1 78953070 VFBZJVXTMQZLKS-GOEBONIOSA-N 332.448 1.819 0 40 EDAB Cc1ccc(CC(=O)N2CCN(Cc3c(C)noc3C)CC2)cn1 47831030 ZCLAGICVAYUKLI-UHFFFAOYSA-N 328.416 1.882 0 40 EDAB NC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1 7504989 RMVBXNCZPRNMAY-UHFFFAOYSA-N 325.368 1.874 0 40 EDAB O=C(c1ccncc1)N1CCN(S(=O)(=O)c2cccs2)CC1 7805134 JOSNVNRABUCGKU-UHFFFAOYSA-N 337.426 1.290 0 40 EDAB Cn1ccnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 12563318 LDDLONVNARXMCO-UHFFFAOYSA-N 332.429 1.988 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)NN(C)c2ccccc2)C1 50170104 UIBHNGMAUXILPP-ZDUSSCGKSA-N 325.434 1.216 0 40 EDAB O=C1C[C@H](c2ccccc2)n2nc(NC(=O)c3ccncc3)nc2N1 1274166 VHZMCINLNIWWCQ-CYBMUJFWSA-N 334.339 1.857 0 40 EDAB C[C@@H](CN1CCCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 24803480 HTIAGHINHSUVTL-ZDUSSCGKSA-N 328.416 1.456 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC2CCCC2)cc1 8325154 TYNCRCGXVNNKRE-UHFFFAOYSA-N 338.429 1.616 0 40 EDAB COCCn1nc(C(=O)NCCOc2cc(C)cc(C)c2)ccc1=O 55526626 SKJYGKJEHXDORH-UHFFFAOYSA-N 345.399 1.315 0 40 EDAB CC(C)[C@@H](NC(=O)CN1CCO[C@@H](CN(C)C)C1)c1cccs1 106787492 QPRZMCWAHLXYKJ-WMLDXEAASA-N 339.505 1.824 0 40 EDAB Cc1cccc(NC(=O)COC(=O)CNC(=O)c2ccccc2)c1 3224939 QNBOVKQSEQTMAM-UHFFFAOYSA-N 326.352 1.907 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@H](c2ccccc2)C1 25948695 SSMRTOJQPGGFNG-GXTWGEPZSA-N 328.420 1.654 0 40 EDAB Cc1ccc(-n2nc(C)c(C(=O)OCC(=O)NCC3CC3)n2)c(C)c1 43857207 BBJKPZHVSAIQDY-UHFFFAOYSA-N 342.399 1.876 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN1Cc1ccccc1 57155519 NVTWCOGUZNJUEX-JKSUJKDBSA-N 336.457 1.202 0 40 EDAB CCN(c1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1)C(C)C 12607048 SVXSXDZSGJNHBI-UHFFFAOYSA-N 330.388 1.410 0 40 EDAB Nc1nc(N)nc(COc2ccccc2C(=O)Nc2ccccc2)n1 12699034 FUVLCXYKEZXMSD-UHFFFAOYSA-N 336.355 1.867 0 40 EDAB O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)NC1Cc2ccccc2C1 108473149 RWKQZDSMCZSFKR-ZWKOTPCHSA-N 329.444 1.706 0 40 EDAB Cc1[nH]c2ccccc2c1CC(=O)N1CCN(S(C)(=O)=O)CC1 48292955 VWUZSPFMGOHYPX-UHFFFAOYSA-N 335.429 1.123 0 40 EDAB CC[C@](C)(NC(=O)c1ccn(-c2ccc(OC)cc2)n1)C(=O)OC 58182408 DVWJYMCHBCIBOG-KRWDZBQOSA-N 331.372 1.952 0 40 EDAB Cc1cccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)n1 27666198 NWLKHPWIJSRSFP-UHFFFAOYSA-N 326.765 1.489 0 40 EDAB O=C(CCNC(=O)[C@@H]1COc2ccccc2O1)NCc1cccnc1 58202224 ZGXMONDWCOEDLZ-INIZCTEOSA-N 341.367 1.044 0 40 EDAB COc1ccc(S(=O)(=O)N(C2CC2)[C@@H](C)C(C)C)cc1C(N)=O 58230609 BNCWIHZGVLGXME-NSHDSACASA-N 340.445 1.992 0 40 EDAB Cn1nnnc1SCCC(=O)NCCOc1cccc(Cl)c1 58227468 GCEGLCSHHNNPNQ-UHFFFAOYSA-N 341.824 1.541 0 40 EDAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1nnc2n1CCC2 12770509 KBGXGDXUAYHGJZ-UHFFFAOYSA-N 339.403 1.788 0 40 EDAB O=C(NCCCNc1ccccn1)N1CCN(c2cnccn2)CC1 44970660 RXNSIKWRGXLLBP-UHFFFAOYSA-N 341.419 1.205 0 40 EDAB CCCN(CCC)S(=O)(=O)N1CCC[C@H](c2nncn2C)C1 44935884 NYQYYESNDRJZHZ-ZDUSSCGKSA-N 329.470 1.361 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3ccnn3CCO)CC2)no1 58305271 PQKUSSSTZXEDOF-CYBMUJFWSA-N 347.419 1.378 0 40 EDAB NC(=O)Cc1ccccc1NC(=O)c1ccc(N2CCOC2=O)cc1 58354674 VEJGOUXNCPNDNN-UHFFFAOYSA-N 339.351 1.923 0 40 EDAB C[C@@H](OCC1CC1)C(=O)N1CCC(C(=O)NCc2ccco2)CC1 58406221 ZZCRCMVCVUXXOJ-CYBMUJFWSA-N 334.416 1.950 0 40 EDAB CCC(=O)N1CC[C@@H](NC(=O)NCc2ccc(C)cc2N(C)C)C1 95416851 JFVZIUUMXBKXJK-OAHLLOKOSA-N 332.448 1.871 0 40 EDAB O=C(NCCCN1CCCC1=O)c1cccc(CN2CCCC2=O)c1 12891162 VPUOHQOQWBGUQW-UHFFFAOYSA-N 343.427 1.551 0 40 EDAB CCc1nnc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)s1 11692835 NFEHDCNAYZWWMS-UHFFFAOYSA-N 329.389 1.701 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCc2ccnc(OC3CCCC3)c2)C1 45927390 UWVPFECXDKINQL-ZDUSSCGKSA-N 332.404 1.420 0 40 EDAB CCc1nc(CN2CCN(c3cc(C)nc4ncnn34)CC2)cs1 29723296 YTNDBFZDUDEFPD-UHFFFAOYSA-N 343.460 1.774 0 40 EDAB O=C(Cc1ccccc1)NCCNC(=O)[C@H]1Cc2cc(F)ccc2O1 95400038 DVUZNJXTBTXJGL-QGZVFWFLSA-N 342.370 1.604 0 40 EDAB CC1(C)C(=O)OCCN1S(=O)(=O)c1ccc(Br)cc1 12193274 OYQQJLCTECPIBR-UHFFFAOYSA-N 348.218 1.775 0 40 EDAB COCCN(CCC(=O)O)C(=O)c1ccc(OC(F)F)c(OC)c1 95970047 UWOXHZMZKRGSNE-UHFFFAOYSA-N 347.314 1.860 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccc(-n2cccn2)cc1 95987315 CVNKTEZRFABYER-CHWSQXEVSA-N 327.388 1.990 0 40 EDAB C[C@H]1CCCCN1CCNC(=O)CCn1cnc2sccc2c1=O 46861063 UZAPIMJSGJAESY-ZDUSSCGKSA-N 348.472 1.839 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@H](n2cccn2)C1 71185921 YXIBSXSKFOFXLV-INIZCTEOSA-N 337.387 1.265 0 40 EDAB Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Br)cc1)CC(=O)N2 9014183 AXPUBQVVCBIWJE-MRVPVSSYSA-N 335.161 1.589 0 40 EDAB CC(C)(CNC(=O)CNC(=O)c1ccccc1F)N1CCCCC1 13148615 JQCWFSUTKJZKNT-UHFFFAOYSA-N 335.423 1.936 0 40 EDAB CN(C)CCCNC(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O 13684294 XWBOUPPBQQNWIU-XFXZXTDPSA-N 337.401 1.384 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H]1CCNC1 71310299 NSKIZDDNFKKORA-LLVKDONJSA-N 333.251 1.740 0 40 EDAB Cc1cc(C)n2c(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)nnc2n1 6172250 OBZCMZLGHBLVCY-RYUDHWBXSA-N 335.433 1.469 0 40 EDAB COc1ccc(OCCOC(=O)c2ccc(-n3cnnn3)cc2)cc1 5103030 KYZWCDZDYKUNGR-UHFFFAOYSA-N 340.339 1.907 0 40 EDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCc2ccccc2C1 5292317 ASQKWKBWEGNBDL-UHFFFAOYSA-N 341.411 1.826 0 40 EDAB O=C(c1ccc(F)cc1)[C@H](C(=O)N1CCOCC1)n1ccccc1=O 6345475 YVJDKQDCXVAZEA-MRXNPFEDSA-N 344.342 1.270 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)NCc1ccccc1Cl 14093111 IOEYZHPQWPDQGU-ZETCQYMHSA-N 338.824 1.486 0 40 EDAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCc2nn(C)c(=O)cc2C1 72302389 QTEQAQOZEZZLPP-JTQLQIEISA-N 347.806 1.214 0 40 EDAB CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 65594289 KRBIJJPDGRWNSY-JKSUJKDBSA-N 345.443 1.686 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NCc2cnn(-c3ccccc3)c2)C1 65565501 ARFPSFCWLMAXKS-INIZCTEOSA-N 341.415 1.682 0 40 EDAB c1ccc(CN2CN(n3cnnc3)c3nc4ccccc4n3C2)nc1 20637324 YTRZFQHMQOZQQP-UHFFFAOYSA-N 332.371 1.723 0 40 EDAB C/C=C/C=C/C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 14137276 VMSCQPTXJDZSDM-MQQKCMAXSA-N 344.440 1.533 0 40 EDAB CN(C)C[C@H]1CCCCN1C(=O)CNC(=O)OCc1ccccc1 65625745 XXNSJBTYIQKQPY-MRXNPFEDSA-N 333.432 1.856 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 408736399 BPVIASGOKGBBOC-DZGCQCFKSA-N 327.340 1.654 0 40 EDAB O=C(NCCc1ccccc1)c1nnn2c1[nH]c(=O)c1ccccc12 5642555 MCQBDPXZVLMVEL-UHFFFAOYSA-N 333.351 1.543 0 40 EDAB COC(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1 95458158 CYRCZGBUWVTXAF-RHSMWYFYSA-N 334.372 1.933 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCCN(c2cccnn2)C1 70006395 GLCNPXVWULPFEA-AWEZNQCLSA-N 327.436 1.583 0 40 EDAB CC(C)CCC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 69367829 IDVMASVLYNMCKM-UHFFFAOYSA-N 333.436 1.068 0 40 EDAB CN(C)[C@@]1(C(=O)N2CCN(C(=O)C3CC3)CC2)CCc2ccccc21 69434792 BYFUFAUTXKIEDC-FQEVSTJZSA-N 341.455 1.471 0 40 EDAB NC(=O)CN1CCCN(C(=O)CCOc2ccc(Cl)cc2)CC1 69493984 NJCOUUSDFLEHGF-UHFFFAOYSA-N 339.823 1.129 0 40 EDAB CCn1cc(CN2CCCN(C(=O)[C@@H](C)n3ccnc3)CC2)cn1 69455172 YZHGBNPVSQPKCO-OAHLLOKOSA-N 330.436 1.395 0 40 EDAB NC(=O)c1cccnc1N1CCN(C(=O)Nc2ccccc2F)CC1 71846747 MZJYNPNQICHCLY-UHFFFAOYSA-N 343.362 1.674 0 40 EDAB CCCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC)cc1 408594255 ODORGACFKPVQBP-LBPRGKRZSA-N 328.434 1.668 0 40 EDAB COC(=O)N1CCC(NC(=O)[C@H]2COc3cc(OC)ccc3C2)CC1 69568099 YSRQUSCULHIBIZ-CYBMUJFWSA-N 348.399 1.593 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)c3c(CC)noc3C)CC2)n1 69518178 BVYBORHOVVZHGI-UHFFFAOYSA-N 345.403 1.697 0 40 EDAB NC(=O)[C@@H](NC(=O)c1ccc(=O)n(-c2ccccc2)n1)c1ccccc1 71800787 YQYCMBJMPYYJQZ-KRWDZBQOSA-N 348.362 1.189 0 40 EDAB CCOC(=O)NCCNC(=O)Nc1cc(F)c(N(C)C)c(F)c1 71880051 YPGBWWZIHSMEMP-UHFFFAOYSA-N 330.335 1.898 0 40 EDAB Cc1noc(C)c1CN1CCN(Cn2c(=O)oc3ccccc32)CC1 71836849 WYMPKWQUUGYAGM-UHFFFAOYSA-N 342.399 1.975 0 40 EDAB Cc1ccc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)o1 69615411 HQUPVUSIMUKMOC-UHFFFAOYSA-N 331.376 1.834 0 40 EDAB CC1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)CC1 69628863 ZITDMCZYXNSARA-KJBLDROHSA-N 344.415 1.544 0 40 EDAB COc1cccc2c1OC[C@@H](NC(=O)NCCc1ccccn1)C2 69669471 SDVMQWBBRCFYDC-HNNXBMFYSA-N 327.384 1.936 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)N1CCC2(CC1)OCCO2 69704632 TVQYTDJWVSXNAD-UHFFFAOYSA-N 329.397 1.060 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)NCCc1ccsc1 69737479 DMIYSKGKGOHPMV-IRXDYDNUSA-N 349.500 1.882 0 40 EDAB O=c1[nH]c(CN2CCc3cncnc3C2)nc2ccc(Cl)cc12 69709515 QGVPEVZUUFVNIB-UHFFFAOYSA-N 327.775 1.925 0 40 EDAB CN(C[C@@H]1CN(CCOc2ccc(F)cc2)CCO1)c1cccnn1 83859258 RRBMBAPBCMFXHZ-QGZVFWFLSA-N 346.406 1.832 0 40 EDAB CCC(CC)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 69875891 YGMZAWGNNLLPFA-UHFFFAOYSA-N 342.461 1.352 0 40 EDAB C[C@H](CN(C(=O)[C@@H]1CCCO1)c1ccccc1)NC(=O)[C@@H]1CCCO1 69846323 RWNIZTYVFAPSTC-PVAVHDDUSA-N 346.427 1.882 0 40 EDAB CNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(C)c2)CC1 69843777 ULLDPMILCVTRIU-IAGOWNOFSA-N 329.444 1.425 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCC(N(C)c2cccnn2)CC1 69917675 IUBZCGTVEBTLBP-UHFFFAOYSA-N 342.447 1.497 0 40 EDAB CCN(CC)C(=O)CCCNc1cnn(C)c(=O)c1Br 71903097 ZYUNTJPAFNUIHB-UHFFFAOYSA-N 345.241 1.603 0 40 EDAB Nc1nc(COC(=O)c2cccc(-n3cnnn3)c2)nc2ccccc12 18262414 IETQMOZCQNEZMJ-UHFFFAOYSA-N 347.338 1.545 0 40 EDAB C[C@H](NC(=O)c1nn(-c2ccccc2F)cc1O)c1cnn(C)c1 95978818 RDQIFASZXPBSCH-JTQLQIEISA-N 329.335 1.942 0 40 EDAB O[C@@H](COc1cc(F)cc(Br)c1)CN1CCOCC1 95974933 HJRAJIVWEYRJOU-GFCCVEGCSA-N 334.185 1.660 0 40 EDAB Cc1cccc(OC[C@H](O)CNC[C@H]2CCCN2c2cccnn2)c1 72253912 HZMAAAFDSQCEJM-IAGOWNOFSA-N 342.443 1.783 0 40 EDAB COc1ccc(C)cc1[C@H](O)CN1CCC(N2CCNC2=O)CC1 72270825 SISXLMXIELQDKO-MRXNPFEDSA-N 333.432 1.527 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)C2)n1 72235548 HELHYFNHDFUZLJ-BZUAXINKSA-N 328.420 1.596 0 40 EDAB CC(C)NC(=O)Cn1nnc([C@H](NC(=O)c2ccccc2)C2CC2)n1 72287762 TWEHHEVIIJGOGA-OAHLLOKOSA-N 342.403 1.079 0 40 EDAB Cc1nc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)n[nH]1 72294999 KRUAOXUCSUNIPT-UHFFFAOYSA-N 328.159 1.788 0 40 EDAB CCOc1ccc(S(=O)(=O)NC(=O)CNC(=O)[C@H](C)CC)cc1 72275844 DXDUIHXNBCVFAC-LLVKDONJSA-N 342.417 1.053 0 40 EDAB Cn1cc([C@@H]2[C@H](C(=O)O)CC(=O)N2CCOc2cccc(F)c2)cn1 72275767 QWJYZLCIEKMIRP-GDBMZVCRSA-N 347.346 1.612 0 40 EDAB O=C(Nc1ccccc1)C(=O)Nc1cnn(CCN2CCCCC2)c1 89433214 GBRWIQAZUJEMEN-UHFFFAOYSA-N 341.415 1.946 0 40 EDAB NC(=O)CO[C@@H]1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 75093381 PSDYZEPSZLBHGR-GOSISDBHSA-N 338.407 1.999 0 40 EDAB COCCN1CC[C@@H](CNC(=O)N[C@@H]2CCN(c3ccccc3)C2)C1 75134118 NSQOTJUZPOPJNL-DLBZAZTESA-N 346.475 1.533 0 40 EDAB O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@H]1C[C@@H]1c1cccc(F)c1F 89768134 NYBPTVCKRBWCIK-JLLWLGSASA-N 329.368 1.762 0 40 EDAB CC1(C)CN(S(=O)(=O)c2ccc(Cl)s2)CC[S@@]1=O 89919670 YINMCLUTHJMJOL-QGZVFWFLSA-N 327.880 1.933 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(CS(N)(=O)=O)cc1)c1ccccn1 89909948 LDKPUCWNGQAQKY-GFCCVEGCSA-N 348.428 1.431 0 40 EDAB C[C@@H](CNC(=O)N1CC[C@@H](Oc2cccnc2)C1)Cn1cccn1 89900815 XAZRZUBMWIAQPY-GOEBONIOSA-N 329.404 1.777 0 40 EDAB CN1CCN(c2ncc3c(n2)CC[C@H](NCc2nccs2)C3)CC1 306130983 JUATWALSFWFUHT-AWEZNQCLSA-N 344.488 1.332 0 40 EDAB Cc1ccc(C)c(N2C(=O)C[C@@H](N3CCC4(CC3)OCCO4)C2=O)c1 20634517 WWBWZWOUIJAEQM-MRXNPFEDSA-N 344.411 1.774 0 40 EDAB O=C(O)[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(Br)o2)C1 548265170 WPNXUFWXUFAHMI-RQJHMYQMSA-N 336.163 1.350 0 40 EDAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccoc2)C1=O 409246927 LDZABMRYJVJOPH-MDWZMJQESA-N 341.323 1.820 0 40 EDAB COc1ccc(NC(=O)C[C@H](c2ccsc2)n2cnnn2)cn1 524735809 ZMEHCFBNBVQESL-GFCCVEGCSA-N 330.373 1.756 0 40 EDAB COc1cc(S(=O)(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)ccc1C(=O)O 530154245 RWEWRDAHCLSVFN-YCWTYVPXSA-N 343.401 1.484 0 40 EDAB O=C(CSc1ccncc1)Nc1cc(N2CCOCC2)ncn1 75166263 RFJDOHSUXJAOSD-UHFFFAOYSA-N 331.401 1.439 0 40 EDAB CC(C)[C@H]1CN(C(=O)N[C@H](C)CN2CCN(C)CC2)CCS1 74134063 GWWVTCNMXVUKKX-HUUCEWRRSA-N 328.526 1.405 0 40 EDAB CN(c1ccccc1)S(=O)(=O)c1cnccc1N1CCNCC1 72210643 WDYRYALVEXIMAB-UHFFFAOYSA-N 332.429 1.316 0 40 EDAB Cn1cc(C(=O)NCc2nnc3ccccn23)c2ccccc2c1=O 72404000 LXQCTFUEMBCZPJ-UHFFFAOYSA-N 333.351 1.511 0 40 EDAB Cc1cnn(C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)c1 79028574 SJDLIRBLSKZWRH-UHFFFAOYSA-N 326.400 1.785 0 40 EDAB O=C(c1ccc(S(=O)(=O)C2CC2)cc1)N1CCOCC2(CC2)C1 565344670 IBYOUCCLXGGUOY-UHFFFAOYSA-N 335.425 1.875 0 40 EDAB COc1cccc(-c2noc(CN3C(=O)C(=O)N(C4CC4)C3=O)n2)c1 48235310 WZFYFGCXDHIMSA-UHFFFAOYSA-N 342.311 1.198 0 40 EDAB CNS(=O)(=O)CC(=O)NCC1(c2ccc(Cl)cc2)CCCC1 83600496 SHISRYDJZRCKHV-UHFFFAOYSA-N 344.864 1.817 0 40 EDAB CN([C@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2)C1)S(C)(=O)=O 87332930 FJKSSINCDVZSQR-LBPRGKRZSA-N 346.399 1.390 0 40 EDAB O=C(c1csc(O)n1)N1CCN(c2nc3ccccc3o2)CC1 527455935 LTWMIBIXBFCVFD-UHFFFAOYSA-N 330.369 1.952 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)Cc1cccc(N(C)C)c1 89923279 DHQPMJJIPBYKNR-GOEBONIOSA-N 346.475 1.297 0 40 EDAB O=S(=O)(CCc1ccccc1)NCCc1nnc2ccccn12 81063699 NDQPCNISOCIJET-UHFFFAOYSA-N 330.413 1.434 0 40 EDAB CNC(=O)c1ccc(NC(=O)NCCC(=O)N2CCCCCC2)cc1 69632485 SPVRMHWKGDNAAL-UHFFFAOYSA-N 346.431 1.960 0 40 EDAB COCCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 44883078 CPQBLJYLXVFOHQ-UHFFFAOYSA-N 326.418 1.437 0 40 EDAB C[C@H]1CN(C(=O)c2cc(NC(=O)c3cccs3)n(C)n2)C[C@H](C)O1 40745962 ZHTOWRLFKXHDAP-QWRGUYRKSA-N 348.428 1.983 0 40 EDAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccnc(-n2cncn2)c1 194146638 PGYAJDDGZIGVLH-UHFFFAOYSA-N 349.350 1.652 0 40 EDAB CC(C)n1cc(N2C[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cn1 96101491 HDQGYKFFHDGWOJ-HZSPNIEDSA-N 334.420 1.453 0 40 EDAB Fc1cnc(N2CCC[C@]3(C2)CN(c2nncs2)CCO3)nc1 96226569 SUBVPLIZGOVEBY-AWEZNQCLSA-N 336.396 1.343 0 40 EDAB Cc1cc(C)n(-c2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)n1 95476208 HBQUSKVXXHKRRO-CQSZACIVSA-N 333.413 1.406 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(CC3CCOCC3)C[C@@H]12)N1CCCO1 96057314 HECIDJCIMRBWBY-ZACQAIPSSA-N 338.448 1.161 0 40 EDAB CCOC(=O)c1cnc(N2CCC(N3CCOC[C@@H]3C)CC2)nc1C 585092339 QKJVAXULCZVBHC-ZDUSSCGKSA-N 348.447 1.651 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)S1 96449650 FXTIGXBSLLSBEH-LLVKDONJSA-N 329.429 1.812 0 40 EDAB CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 96181928 VKACOPNLKIZSSK-DOTOQJQBSA-N 333.407 1.509 0 40 EDAB COc1c(C(=O)Nc2cnn(C)c2)nnn1Cc1ccc(C)cc1 96183511 GZGNHCZFOJZJHU-UHFFFAOYSA-N 326.360 1.629 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@]1(CC(=O)O)CCOC1 580543732 PJNZNSCNDGWWFO-ZDUSSCGKSA-N 349.792 1.261 0 40 EDAB CCNC(=O)CN1CCN(C(=O)Cc2cnc3ccccc3c2)CC1 97104151 BSVLKEDZOVADBE-UHFFFAOYSA-N 340.427 1.058 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CN(Cc3cccs3)[C@@H]3CCCO[C@H]23)cn1 96185920 HPWHBQXRELITRO-BZUAXINKSA-N 346.456 1.643 0 40 EDAB CCc1cnc(N2CCOC[C@]3(CC[C@H](Cn4cncn4)O3)C2)nc1 96063436 HVKFPYMBUBRYDF-WBVHZDCISA-N 344.419 1.085 0 40 EDAB NC(=O)[C@@H]1CCCCN1C(=O)Cn1c(=O)sc2c(F)cccc21 581607506 GKYKWWYKWLZRQE-NSHDSACASA-N 337.376 1.069 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl 96459680 HOIYSJNEHUCKEA-LURJTMIESA-N 343.207 1.859 0 40 EDAB O=C([C@H]1CCOC1)N1CCc2onc(COc3ccccn3)c2C1 96260022 FNUOLEGRXWEWAE-LBPRGKRZSA-N 329.356 1.570 0 40 EDAB CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cnc2sccc2c1 585114833 BVPIYYYFLAHQSS-KCJUWKMLSA-N 332.472 1.687 0 40 EDAB COC(=O)c1ncoc1COCC(=O)NCC1(c2ccccc2)CC1 585123221 FDLGZTLMEVVXCY-UHFFFAOYSA-N 344.367 1.826 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)[C@H]2COCCO2)C12CCC2 585112846 DYODYJGMDCRENF-JHJVBQTASA-N 340.420 1.354 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccsc2)Cc2ccnn2C1 96189061 KBNZPWFAIFWAEK-OAHLLOKOSA-N 348.472 1.681 0 40 EDAB c1cnc(N2CC[C@]3(COCCN(CC4CCOCC4)C3)C2)nc1 96202346 AVOKONHPGOJLSB-GOSISDBHSA-N 332.448 1.432 0 40 EDAB Cc1c(N[C@H]2CCC(=O)N(C)C2)nn2c(C(F)(F)F)nnc2c1C 96483129 RCFDFUUTWHIWSB-VIFPVBQESA-N 342.325 1.793 0 40 EDAB C[C@H]1[C@@H](C)N(C(=O)N[C@H](C)Cc2ccsc2)CCS1(=O)=O 245289777 DZYFCCLHMXDPTH-UTUOFQBUSA-N 330.475 1.896 0 40 EDAB Cc1ccccc1C(=O)N1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1 257266761 MEKAQHHAVPCWHQ-IAGOWNOFSA-N 341.363 1.958 0 40 EDAB COc1ncccc1C(=O)N1CCO[C@@H](c2cccc(N(C)C)n2)C1 257206838 BFBVPJIIJDCCPE-OAHLLOKOSA-N 342.399 1.765 0 40 EDAB Cc1n[nH]cc1-c1cnc(C[C@H]2CCCN(S(C)(=O)=O)C2)cn1 257233072 GNQIYXITBLFHEL-GFCCVEGCSA-N 335.433 1.389 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 257227946 FRRHAEKOXKZQNJ-HNNXBMFYSA-N 325.416 1.937 0 40 EDAB Cn1cc(C(=O)NCc2ncc(-c3ccccc3C(=O)O)cn2)cn1 257318111 VMOPWCDLPYZJJI-UHFFFAOYSA-N 337.339 1.505 0 40 EDAB CC(C)c1ccc(O)c(C(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c1 257206386 BDDUIZSFARCIAR-JFIYKMOQSA-N 348.443 1.470 0 40 EDAB COc1ccc2nnc(CNC(=O)CCc3ccccc3OC)n2n1 252485369 GSKHXTDIXOUNOV-UHFFFAOYSA-N 341.371 1.391 0 40 EDAB CC(=O)N1CC[C@@H](Cc2nccnc2-c2cncc(C(=O)O)c2)C1 257330253 XNPNIFJKMHSEIY-LBPRGKRZSA-N 326.356 1.648 0 40 EDAB CC(=O)N1CCN(C(=O)CCn2ccnc2)C[C@@H]1c1ccccc1 257229846 FZRYKEVURFOKJE-QGZVFWFLSA-N 326.400 1.705 0 40 EDAB Cc1cccc2nc(C(=O)N[C@@H]3CCC[C@@H](N4CCCC4)[C@@H]3O)cn12 257309515 UBFLYQMFYKIGPE-QGPMSJSTSA-N 342.443 1.750 0 40 EDAB NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cnn(C3CCCCC3)c2)C1 1615038706 GFOBOZUVYXZKGF-GFCCVEGCSA-N 340.449 1.139 0 40 EDAB c1ccc(Cn2cc(-c3noc([C@@H]4CCc5ncnn5C4)n3)nn2)cc1 1615539721 MXTDDPUPUDBRQQ-CYBMUJFWSA-N 348.370 1.698 0 40 EDAB COC(=O)[C@H]1CN(C(=O)OCC(F)(F)F)C[C@@H]1c1cncn1C 1615614643 QBKHYYYPJBAQGV-IUCAKERBSA-N 335.282 1.307 0 40 EDAB CS(=O)(=O)C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 96098199 CGQKWMBPEQQQCG-UHFFFAOYSA-N 335.381 1.442 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1nccnc1-c1ccco1 390830312 KCNQKIPFNFHFJO-UHFFFAOYSA-N 334.357 1.820 0 40 EDAB Cc1nc2ccccn2c1C(=O)N1CC[C@@H](Oc2ncc(F)cn2)C1 575413923 RPNRPYYWHGDSNI-CYBMUJFWSA-N 341.346 1.865 0 40 EDAB CNc1cnc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)nc1 585276605 OASGIPYWTUEHGU-HOTGVXAUSA-N 344.390 1.866 0 40 EDAB COCc1ccccc1CNC(=O)[C@@H]1CC[C@@H](N(C)C(C)=O)[C@H]1OC 585280152 BVWVSLBWNVRGJR-KURKYZTESA-N 348.443 1.721 0 40 EDAB CCOCc1nnc2n1CCN(C(=O)c1cc(C3CC3)on1)[C@@H]2C 585098139 UQITUUNORGUJMT-SNVBAGLBSA-N 331.376 1.897 0 40 EDAB COC[C@@]1(CC(N)=O)CN(C(=O)c2cccc(Cl)c2F)CCO1 585276617 BRMHSGPPLZRWHG-OAHLLOKOSA-N 344.770 1.212 0 40 EDAB Cc1nn(CC(=O)N[C@H]2CCc3nccn3C2)c(=O)c2ccccc12 65473474 MPTKPYNALXAVPC-ZDUSSCGKSA-N 337.383 1.033 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H](C(C)C)n3cncn3)CC2)no1 65551494 WGJZLZINLBIKQM-OAHLLOKOSA-N 332.408 1.116 0 40 EDAB COC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)c(F)c1 65620540 OQWZYRVUWUZXDA-UHFFFAOYSA-N 328.303 1.996 0 40 EDAB C[C@@H](NC(=O)CSc1nnnn1C1CCOCC1)c1ccccc1 69561888 BQEJMGXBCZNHOB-GFCCVEGCSA-N 347.444 1.994 0 40 EDAB C[C@H](C(=O)Nc1nccs1)N(C)C[C@@H]1CCCN1c1cccnn1 71860017 VJIFNAUHWKXQAO-OLZOCXBDSA-N 346.460 1.861 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC1CCN(c2cnsn2)CC1 1565522508 JRTNFSAEWVIFEF-UHFFFAOYSA-N 343.434 1.090 0 40 EDAB Cc1ccc(-c2noc([C@H](C)N3CCN4C(=O)NC[C@@H]4C3)n2)cc1F 75105987 PDSWFVABYYIATJ-WCQYABFASA-N 345.378 1.955 0 40 EDAB Cc1noc(Cl)c1CC(=O)N1CCN(C2=NC[C@H](C)S2)CC1 76091470 IWNXKTKCDITGGT-VIFPVBQESA-N 342.852 1.814 0 40 EDAB O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 76018263 PJZMDRSYZLSLIZ-GFCCVEGCSA-N 343.362 1.817 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)[C@H]2CCCN2)cc1 96412041 BPAXIJGJEGOPSQ-OAHLLOKOSA-N 338.473 1.626 0 40 EDAB O=C(N[C@H](Cc1cnc[nH]1)C(=O)O)[C@@H]1CC[C@H](Cc2ccccc2)O1 1601568604 XCSJGJLZLLOZCU-OAGGEKHMSA-N 343.383 1.312 0 40 EDAB COc1c(C[C@H]2C[C@H](NC(C)C)C(=O)O2)cc2c(c1OC)OCO2 12401605 GJCMIHNMGVKQCR-RYUDHWBXSA-N 337.372 1.657 0 40 EDAB O=C(C1CC1)N1CCC[C@H](c2cc(O)nc(-c3cnccn3)n2)C1 13268061 FNYBODXIFQIEMY-LBPRGKRZSA-N 325.372 1.755 0 40 EDAB COCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 15272697 BMHFLFWUZLJJOI-UHFFFAOYSA-N 348.424 1.888 0 40 EDAB CC1(C)S[C@H]2[C@H](NC(=O)Nc3ccccc3)C(=O)N2[C@@H]1C(=O)O 16577313 LSCPNHFIESJHDY-FOGDFJRCSA-N 335.385 1.324 0 40 EDAB CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 19581876 IQHUNDHZBMQYAA-NVXWUHKLSA-N 344.459 1.373 0 40 EDAB CNc1cc(C(=O)N2CCC[C@@H]2c2cc(CN(C)C)n(C)n2)ccn1 19710062 ITBVMBPBRVTQPM-MRXNPFEDSA-N 342.447 1.896 0 40 EDAB CN(C)CC(=O)N[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2)CC1 19749775 BUZAOXVWXWVMHK-QGZVFWFLSA-N 349.450 1.817 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O)n1cncn1 153254778 SYEZBNADONUNBL-DGCLKSJQSA-N 331.351 1.290 0 40 EDAB O=S(=O)(c1ccccc1F)N1CC[C@@H](n2cc(C3CC3)nn2)C1 239578933 DBJRBVKMMLCTLS-GFCCVEGCSA-N 336.392 1.930 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccco3)n2N)C1 4538387 KUDBKORBMDQIBC-QWRGUYRKSA-N 335.433 1.849 0 40 EDAB COc1ccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c(O)c1 22184763 YZZDTNVMUWRNKF-UHFFFAOYSA-N 345.380 1.971 0 40 EDAB O=C(O)C1CCN(S(=O)(=O)NCc2ccc(Cl)s2)CC1 83684345 IKIMXHYCJAEMQS-UHFFFAOYSA-N 338.838 1.533 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H]3O[C@@H](C(=O)NC(C)C)CC[C@H]32)cn1 2055718046 XWLILKHAPFGLMU-BZUAXINKSA-N 331.416 1.677 0 40 EDAB CCN1CCN(C)C2(CCN(C(=O)/C=C/c3cccs3)CC2)C1=O 2055814193 KKACKIDRHDISFO-VOTSOKGWSA-N 347.484 1.916 0 40 EDAB NC(=O)C1CCN(C(=O)Cc2cc(-c3ccc(F)cc3F)on2)CC1 23127191 GQQPUODXWLPFDR-UHFFFAOYSA-N 349.337 1.886 0 40 EDAB CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)Cc2ccco2)c1 44225294 MZEKYHWBFLJLCW-LLVKDONJSA-N 329.356 1.924 0 40 EDAB CC(C)C[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)C(=O)O 37908941 DHLAEZURUVKBJJ-SNVBAGLBSA-N 325.308 1.882 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCSC1=O 40466523 YQDBRNDUYMQTAF-GFCCVEGCSA-N 336.413 1.844 0 40 EDAB O=C(NCc1ccccc1F)N1CCC[C@H](C(=O)N2CCOCC2)C1 51190014 JNBJQNXRIAXYTK-HNNXBMFYSA-N 349.406 1.606 0 40 EDAB CN(Cc1ccc(Br)o1)Cc1cc(=O)n(C)c(=O)n1C 40513771 SJGNHNCKAUZFJE-UHFFFAOYSA-N 342.193 1.072 0 40 EDAB CNC(=O)[C@@H](C)NC(=O)COc1ccc(Br)cc1F 40556132 KVEHVRRXDSVNQI-SSDOTTSWSA-N 333.157 1.218 0 40 EDAB CC(=O)c1c(O)cc(C)o/c1=N\NS(=O)(=O)c1ccc(C)cc1 101406295 NZDDDAZKMLMETL-NXVVXOECSA-N 336.369 1.599 0 40 EDAB Cc1ccccc1N(CC(=O)Nc1nncs1)S(C)(=O)=O 21214397 GJFQPNBTRQSREE-UHFFFAOYSA-N 326.403 1.251 0 40 EDAB CC(C)[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1cccs1 21669600 GHNBHCWCUHXBPM-AAEUAGOBSA-N 330.475 1.985 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCCO1 41274014 RICCXOOFTIJYOD-BXUZGUMPSA-N 326.418 1.457 0 40 EDAB CCN(CCCNC(=O)c1ccn(C)c(=O)c1)C(=O)OC(C)(C)C 52776585 JAXWAIVJQOZPQF-UHFFFAOYSA-N 337.420 1.762 0 40 EDAB O=C(NC[C@@H]1CCOC1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 41370004 IYFYJLDZCFPJGT-NSHDSACASA-N 329.356 1.614 0 40 EDAB O=C(CSc1nnnn1C1CC1)N[C@H]1COc2ccccc2C1 53045467 PIFOVZRZXMLTMJ-LLVKDONJSA-N 331.401 1.220 0 40 EDAB COCCOc1ncccc1C(=O)NC1CCN(CC(F)F)CC1 61602393 JKCILOKHJBMMMY-UHFFFAOYSA-N 343.374 1.566 0 40 EDAB CC(C)N1CCC[C@@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 78497761 UMSGEPOOHHARSC-LBPRGKRZSA-N 329.400 1.420 0 40 EDAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1ncnc2c1cnn2C 78787869 XBRSXNZAHSYFSX-KBPBESRZSA-N 328.420 1.733 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(-n2cccn2)nc1 23153006 ZNXWXFVEWAVYBB-UHFFFAOYSA-N 346.354 1.424 0 40 EDAB O=C1NC(=O)[C@H](CCC(=O)OCc2csc(-c3ccccc3)n2)N1 23192198 LCMBJPONNMZMLR-LBPRGKRZSA-N 345.380 1.842 0 40 EDAB CCOC(=O)C(=O)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F 4009337 LNXAVOWXGKOTCN-CYBMUJFWSA-N 336.310 1.969 0 40 EDAB O=C(NCc1ccccc1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 4986742 LQEBVUSYEMWLJW-IRXDYDNUSA-N 339.395 1.970 0 40 EDAB CCOc1ccccc1-c1cc(C(=O)NCCN2CCOCC2)n[nH]1 47796262 DZVOVWBLVOIDJO-UHFFFAOYSA-N 344.415 1.537 0 40 EDAB CNC(=O)c1cccc(NC(=O)c2cc(C)nc(N3CCCC3)n2)c1 72239869 IDMWSAQZQMMNQZ-UHFFFAOYSA-N 339.399 1.997 0 40 EDAB Cc1noc(C2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)n1 54704076 DBSJYUVIDZFGHW-UHFFFAOYSA-N 331.376 1.027 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CCc1cnn(C)c1)CC2 54815584 VGHDOUFSFCOEDC-UHFFFAOYSA-N 329.400 1.955 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccncc1 43184951 ZIZMRCPBHVTFON-DZGCQCFKSA-N 326.404 1.901 0 40 EDAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC2(CC1)OCCO2 24995628 UROKXYGKVQHLPU-UHFFFAOYSA-N 349.383 1.642 0 40 EDAB C[C@H](Cc1nc2ccccc2s1)NC(=O)CN1CCC[C@@H](O)C1 106576386 NXGPQVOLVVVQQH-CHWSQXEVSA-N 333.457 1.800 0 40 EDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H]1C[C@H]1C 106574258 XVXTYVRNVHQGHZ-YUSALJHKSA-N 331.869 1.950 0 40 EDAB NC(=O)[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccco1)Cc1ccc(F)cc1 106834104 NUCZNSRPMSNMSH-QEJZJMRPSA-N 330.359 1.983 0 40 EDAB Cc1nonc1CN(C)C(=O)CN1C(=O)[C@H]2CC[C@](C)(C1=O)C2(C)C 100773246 LMFFNOUYANZBQO-PIGZYNQJSA-N 348.403 1.148 0 40 EDAB Cc1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1O 3253901 VDZVZGOCZFUQRH-UHFFFAOYSA-N 343.335 1.903 0 40 EDAB Cc1cc(CN2CCC[C@@H]([C@]3(C)NC(=O)N(C(C)C)C3=O)C2)no1 107584320 MMVCZGVEWJQJSA-DYVFJYSZSA-N 334.420 1.914 0 40 EDAB Cc1cc(C)cc(-n2c(O)nc3nc(-n4ccnc4)ncc3c2=O)c1 57352012 MXFGQRPZHKJWRW-UHFFFAOYSA-N 334.339 1.684 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCCN(C)C1 108337309 AFJWTRFEJBFJBK-CQSZACIVSA-N 338.473 1.940 0 40 EDAB C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCc1ccnn1C 108475148 BIPUXHMLSVNWOQ-MAUKXSAKSA-N 341.459 1.782 0 40 EDAB CC(C)c1noc(CCCNC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)n1 110648178 PIMKXNFTNAAXSE-AAVRWANBSA-N 334.420 1.944 0 40 EDAB O=C(CN1CCCCCCC1=O)N1CCN(c2ccc(O)cc2)CC1 48181187 CQEMTERZEWIVDN-UHFFFAOYSA-N 345.443 1.834 0 40 EDAB CN(C(=O)CNc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 57763626 DFJGSCFZRDLCNX-QMMMGPOBSA-N 336.335 1.161 0 40 EDAB NC(=O)C1CCN(C(=O)CN2CCC[C@H]2Cc2ccc(F)cc2)CC1 48289731 MZTXAWUQXSPMHM-KRWDZBQOSA-N 347.434 1.557 0 40 EDAB CCOc1ccc(CN2CCN(C(=O)NCc3cc[nH]n3)CC2)cc1 48278388 NPVKPCFLYMVUFN-UHFFFAOYSA-N 343.431 1.836 0 40 EDAB O=C(NCc1cccnc1OCC(F)(F)F)NC[C@H]1CCOC1 48286499 FGOSPCYKHGBDHY-SNVBAGLBSA-N 333.310 1.858 0 40 EDAB Cc1cc(N2CCN(C(=O)NC[C@@H]3CCCO3)CC2)nc(C(C)C)n1 48235504 SZJMTDZWMRDBGG-HNNXBMFYSA-N 347.463 1.919 0 40 EDAB Cc1noc([C@H](C)NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)n1 58246313 DCVGMZGEDRBVSM-QWRGUYRKSA-N 344.371 1.759 0 40 EDAB C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 58289353 PCEDSYIDARQSEC-KRWDZBQOSA-N 343.408 1.832 0 40 EDAB CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1nn(C)c3ccccc13)CCO2 107720630 WFSZFKYKHVLCMN-BFYDXBDKSA-N 329.400 1.982 0 40 EDAB Cc1cc(=O)c(C(=O)NO[C@@H]2CCCCO2)nn1-c1ccccc1 58412893 BRBMZNQDVFRBHG-OAHLLOKOSA-N 329.356 1.729 0 40 EDAB Cc1noc(CCNC(=O)c2ccc3c(c2)NC(=O)CCS3)n1 58429328 DSAOFMVFMZCCFD-UHFFFAOYSA-N 332.385 1.785 0 40 EDAB CCOC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 58537623 IZVGJYBIUQSBIG-UHFFFAOYSA-N 333.384 1.916 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)on1 48302512 FIEPEXSMOIFYBU-UHFFFAOYSA-N 325.372 1.817 0 40 EDAB COCCn1cc(NC(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)cn1 45453208 JVSXBEJGOKONHH-CQSZACIVSA-N 331.376 1.417 0 40 EDAB COc1cccc([C@@H](NC(=O)c2cnn(C)c2)c2nccn2C)c1 29095228 SOLPCWOEOFYZAT-OAHLLOKOSA-N 325.372 1.682 0 40 EDAB Cc1cc(C(=O)N2CC(O)C2)c2cnn(Cc3cccs3)c2n1 95422153 QMAFURDKMMYRDD-UHFFFAOYSA-N 328.397 1.666 0 40 EDAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nncn2N)c(C)c1 29575773 VRDDWODXUWUWTB-SNVBAGLBSA-N 334.405 1.438 0 40 EDAB COc1ccc(CN(C)c2ccc3nnnn3n2)c(OC)c1OC 12881843 JZXCKYRGAREKSJ-UHFFFAOYSA-N 330.348 1.182 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCc1ccc2c(c1)OCCO2 12979104 FAVADPGWSQMTJM-UHFFFAOYSA-N 326.352 1.504 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)c1ccc(Cn2ccnc2)o1 84240698 NPUJGWBAPLMSML-UHFFFAOYSA-N 334.376 1.779 0 40 EDAB CCCCS(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13319999 GBCLNPULZGNZHD-UHFFFAOYSA-N 340.445 1.663 0 40 EDAB O=C1OCC[C@@H]1Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 5129791 VSBSRVUGFQEBAI-RISCZKNCSA-N 346.408 1.983 0 40 EDAB C[C@H](C[S@](C)=O)N(C)CC(=O)NCCOc1ccc(Cl)cc1 96012883 UJDQHSSUFUHITN-VERVWZFWSA-N 346.880 1.534 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C3CC3)CC2)c(C)c1F 96008585 OXVRUTMBHXLOJF-UHFFFAOYSA-N 328.409 1.611 0 40 EDAB COC[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 65443757 TUJDORVFHDBEBZ-MNOVXSKESA-N 329.422 1.071 0 40 EDAB CC(C)(C)c1cc(NC(=O)CN2CCN(C(=O)C3CC3)CC2)on1 14016747 BYFVDRKKZSHPBO-UHFFFAOYSA-N 334.420 1.465 0 40 EDAB COc1cc(C)ccc1OCCC(=O)N[C@]1(C)CCS(=O)(=O)C1 65517469 DCQSJOHYJGUKMT-MRXNPFEDSA-N 341.429 1.466 0 40 EDAB Cn1cc([C@@H](O)CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)cn1 95439741 NBWRDJRNLJKDJV-ZDUSSCGKSA-N 347.799 1.366 0 40 EDAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)NC1CC1 14187308 KQIOLAQXUSTQRC-UHFFFAOYSA-N 346.387 1.634 0 40 EDAB CCOc1ccc(S(=O)(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 4505417 SPKAHJGOVAKWSK-LBPRGKRZSA-N 347.458 1.283 0 40 EDAB COCCNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6662622 NEGVVWZGRBTWFB-UHFFFAOYSA-N 327.406 1.466 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCc1ccc(O)cc1 96345029 VSXQIUWEAXFWBM-UHFFFAOYSA-N 327.384 1.187 0 40 EDAB Cc1ccc(C)c(OCCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 7064888 OBLHIHHNZZBIBW-UHFFFAOYSA-N 342.399 1.520 0 40 EDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cnccn2)cc1OC 72307148 IHZUKVPUQJISCH-NSHDSACASA-N 331.328 1.440 0 40 EDAB COC(=O)Cn1ccc(NS(=O)(=O)c2ccc(Cl)s2)n1 67899374 NPYZUWJHRFVGSN-UHFFFAOYSA-N 335.794 1.572 0 40 EDAB CN(C(=O)CN1CC=C(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 7456972 WITYDPMBJKGJFB-KRWDZBQOSA-N 348.468 1.421 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCCn1nnc2ccccc2c1=O 225796907 JWUSTTXMYPEEJZ-CYBMUJFWSA-N 338.367 1.375 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 7543029 KGGXWWYVRGGKCZ-GUYCJALGSA-N 348.468 1.664 0 40 EDAB CCOc1ccc(CNC(=O)C(=O)Nc2ccc(OC)nc2)cc1F 71880087 LMVHSYYDWHCPHR-UHFFFAOYSA-N 347.346 1.883 0 40 EDAB CCCNC(=O)NC(=O)CN(C)C[C@H]1CN(CC)c2ccccc2O1 16423575 TWSPKIORGBNDFG-AWEZNQCLSA-N 348.447 1.442 0 40 EDAB CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCC[C@@H](O)C2)c1 71920121 IFRSAQGEUUVFHV-SNVBAGLBSA-N 345.396 1.065 0 40 EDAB CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cn(C)cn2)C12CCCC2 71921022 UBUSUTWIMQCOTN-CHWSQXEVSA-N 327.450 1.778 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)C1=O 8131710 JQWVAFNXUDQDLL-BJOHPYRUSA-N 339.779 1.859 0 40 EDAB CC(C)c1[nH]nc(C(=O)NC[C@@H]2CCN(C)C2)c1Br 69157386 ZGGFUIVJPSFDGC-VIFPVBQESA-N 329.242 1.977 0 40 EDAB C[C@H](CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccccc1 8332565 AZFWOYMEOQAJJS-CYBMUJFWSA-N 345.424 1.404 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C 69417464 TVUVXMXFHRUVKX-CMPLNLGQSA-N 342.465 1.105 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1Cc1noc(-c2ccoc2)n1 69486507 VAWGKJUXYFLFNN-UHFFFAOYSA-N 331.309 1.674 0 40 EDAB Nc1nccnc1C(=O)Nc1cccc(CN2CCSCC2)c1 69567091 CYXSXFFZLOBLFA-UHFFFAOYSA-N 329.429 1.860 0 40 EDAB COC(=O)c1cc(NC(=O)C(=O)NC2CCCCCC2)ccc1O 40268709 VDDBCLPRLPRNEN-UHFFFAOYSA-N 334.372 1.956 0 40 EDAB Cn1c(CN2CCN(C[C@@H](O)c3ccccc3)CC2)nnc1C1CC1 69625547 CUGAUVJVLKTOSD-QGZVFWFLSA-N 341.459 1.544 0 40 EDAB CCN(CC)CC(=O)N1CCN(c2nc(N)c3ccccc3n2)CC1 95449375 KGOODVWCKZQTBV-UHFFFAOYSA-N 342.447 1.202 0 40 EDAB CC(=O)NCCNC(=O)CCC(=O)NCC1(c2ccccc2)CCC1 69741665 XZGZMDFXTDZUIE-UHFFFAOYSA-N 345.443 1.257 0 40 EDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)NCCCn2cncn2)o1 84195302 JPDIPZARIXKANV-ZDUSSCGKSA-N 339.421 1.241 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)c3ccc(N(C)C)nn3)C2)no1 72242401 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334.439 1.839 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)Oc1ccccc1 409002133 MGMSKYGWUOXNGK-YUELXQCFSA-N 347.415 1.714 0 40 EDAB COC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)nc1C 79489214 BYESWLFXILCALQ-JTQLQIEISA-N 339.417 1.681 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)C1(CO)CO 218206444 PXXOQHFPRGRIOS-RYUDHWBXSA-N 349.246 1.321 0 40 EDAB Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)CN(C)C)C2)n1 72379017 QLPBUXOXMZOEML-HNNXBMFYSA-N 327.432 1.843 0 40 EDAB O=C([C@H]1CC2(CCNCC2)CN1)N1CCOc2ccc(Cl)cc2C1 72147950 PJVMWCKVNMCJEE-OAHLLOKOSA-N 349.862 1.793 0 40 EDAB CC1(C)C[C@H](NC(=O)[C@]23CNC[C@H]2CCO3)c2cc(N)ccc2O1 1548556456 LBZKSUTTYBCTQU-VZSAFFHGSA-N 331.416 1.366 0 40 EDAB CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 72148725 UKMGGZHJLJWBCX-CQSZACIVSA-N 341.814 1.648 0 40 EDAB CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)Nc1cnn(C)c1 25308531 RISCXQILZYLSDO-HNNXBMFYSA-N 329.404 1.883 0 40 EDAB O=C1c2cnc(N3CCC(O)CC3)nc2CN1c1cccc(F)c1 72260023 UZTHNOUPDYWDAZ-UHFFFAOYSA-N 328.347 1.737 0 40 EDAB C[C@@H](Cn1ccc(C(F)(F)F)n1)NC(=O)c1nc2ncccn2n1 36618694 AOQIGHWWORZWGH-QMMMGPOBSA-N 339.281 1.158 0 40 EDAB O=C1CN(C(=O)c2ccc(CNc3ccc(Cl)cn3)cc2)CCN1 78632071 NVPZGYIQCKMBEU-UHFFFAOYSA-N 344.802 1.919 0 40 EDAB COC(=O)/C(=C/O[C@H]1C=C(C)C(=O)O1)N1C(=O)c2ccccc2C1=O 39007800 UBVNIMAEIBGUEL-LLBKUYECSA-N 343.291 1.143 0 40 EDAB Cn1cncc1CN1CCC[C@](C)(c2[nH]ncc2S(C)(=O)=O)C1 72388745 NCPILFUEKFQQJB-HNNXBMFYSA-N 337.449 1.100 0 40 EDAB CC(C)Oc1ccc(C(=O)O)cc1NC(=O)c1nccnc1C(=O)O 72402069 WLWXSUIGENAEOY-UHFFFAOYSA-N 345.311 1.913 0 40 EDAB Cc1cccn2cc(CC(=O)N(CCN(C)C)C[C@@H]3CCCO3)nc12 69698132 NVVBQYXPPVTQAU-KRWDZBQOSA-N 344.459 1.754 0 40 EDAB Cc1ccsc1[C@@H](O)CNC(=O)Cn1c(=O)oc2ccccc21 75155243 VDPNKDNJHULBHJ-LBPRGKRZSA-N 332.381 1.814 0 40 EDAB COCCn1nnn(-c2ccc(NC(=O)c3ccccc3)cc2)c1=O 75163202 YIMYBRYQEKBZPM-UHFFFAOYSA-N 339.355 1.328 0 40 EDAB O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N[C@@H]1C[C@H]1c1cccc(F)c1 195072219 GSSJIMQEMUMMIR-XFBWCDHKSA-N 331.391 1.992 0 40 EDAB Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 225791061 NGLMJIDPDLITNB-UHFFFAOYSA-N 334.401 1.808 0 40 EDAB CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)c1C 195574219 OPKQKQSPYJAEOH-AWEZNQCLSA-N 344.419 1.346 0 40 EDAB C[C@]1(Br)C[C@@H]1C(=O)N1CCC[C@H](CN2CCOCC2)C1 529293131 OGBFWXVGXXXIMF-NFAWXSAZSA-N 345.281 1.731 0 40 EDAB Cc1ccccc1C(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 224307038 KWAPYZNAVDTCDD-UHFFFAOYSA-N 325.416 1.813 0 40 EDAB Cc1cnc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)s1 227168274 BRSIHIVLPOSLFJ-MRVPVSSYSA-N 339.398 1.972 0 40 EDAB Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc(=O)n(C)n1)C(F)(F)F 330958968 ASNQMOCZDQSXGF-LBPRGKRZSA-N 343.309 1.164 0 40 EDAB CN1C(=O)CC[C@@H](NC(=O)N[C@@H]2CCCc3ccc(F)cc32)C1=O 333400382 NSLADLAAMARDFN-ZIAGYGMSSA-N 333.363 1.650 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)Cc2cn3ccsc3n2)C1 96419141 BWISERIPEWUUMI-ZYHUDNBSSA-N 341.458 1.410 0 40 EDAB Cn1cc(CN2CCC[C@]3(CCN(Cc4cnn(C)c4)C3)C2)cn1 96046979 KFQUFLWMLKSDMI-SFHVURJKSA-N 328.464 1.642 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCN(c3ccncn3)C2)CC1=O 96077938 PCXYZCGKQWPFOR-QGZVFWFLSA-N 327.388 1.710 0 40 EDAB CNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc3ccccc3n2)C1 96041243 UGDJLXDGKXOSJD-BMGDILEWSA-N 325.412 1.960 0 40 EDAB CC(C)[C@@H](C(=O)NCCc1c[nH]cn1)n1nnc2ccccc2c1=O 95473269 UJCMOXBOZHWGET-HNNXBMFYSA-N 340.387 1.071 0 40 EDAB O=c1ccc2c(n1CCN1CCCC1)CC[C@H](NC1CCOCC1)C2 96189767 LADYJVYWKRKISV-SFHVURJKSA-N 345.487 1.570 0 40 EDAB O=C(C1CCOCC1)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 96110386 WWUSHYJIIJGQPB-MJGOQNOKSA-N 346.427 1.895 0 40 EDAB CCCCS(=O)(=O)N1C[C@H]2CC[C@@]3(NC(CC)=NC3=O)[C@H]2C1 96261571 TZMWXWPENUKCCJ-TYNCELHUSA-N 327.450 1.135 0 40 EDAB CN(C)c1nccc(N2CCN([C@H]3Cc4ccccc4[C@H]3O)CC2)n1 96493074 GKHNYDUKTOCBKU-FUHWJXTLSA-N 339.443 1.323 0 40 EDAB CC(C)Nc1ncccc1C(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 96437203 QFZPFMSXQIGUQO-JTQLQIEISA-N 344.337 1.795 0 40 EDAB COC(=O)CN1CCC(NC[C@@H]2CCN(C)c3ccccc32)CC1 97095393 MYGXDZJNGURKJH-HNNXBMFYSA-N 331.460 1.837 0 40 EDAB Cc1ccc(CN2CCC3(CCOC[C@@H]3NS(C)(=O)=O)CC2)o1 96220115 LXTLPZCNTFACRO-HNNXBMFYSA-N 342.461 1.508 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)N3CCCC3)O[C@@H]2C1 96066087 GRIDWCSCNVSJKV-USXIJHARSA-N 333.432 1.893 0 40 EDAB Cc1cccc(N2CCN(CCC(=O)N3CCS(=O)CC3)CC2)c1 96427206 ISAPMAMRLVKHAL-UHFFFAOYSA-N 349.500 1.098 0 40 EDAB CN(C)CC(=O)N1CC[C@]2(C1)C(=O)N(CC1CC1)c1ccccc12 96244839 UCYZQRHNUMTDTR-LJQANCHMSA-N 327.428 1.475 0 40 EDAB Cc1cnccc1OC1CCN(C(=O)c2cnc(N(C)C)cn2)CC1 332121443 LNOJGLAEFGCIKT-UHFFFAOYSA-N 341.415 1.930 0 40 EDAB N[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242687274 UDJUFVUGHYDEHN-IIAWOOMASA-N 335.356 1.548 0 40 EDAB O=C(C[C@H]1CN(CC2CCOCC2)Cc2ccnn21)N1CCCCO1 247891107 YNUJXJCOOAOPKI-KRWDZBQOSA-N 348.447 1.611 0 40 EDAB O=C(CC1CC1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 247844045 GJUFXPPSWTXDQY-OAHLLOKOSA-N 340.431 1.934 0 40 EDAB COc1cc(CCNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)ccn1 585088129 LHPOUSLIYPXQPI-CYBMUJFWSA-N 335.404 1.758 0 40 EDAB Cc1cccc(C[C@@H]2COCCN(C(=O)CN3CCCCC3)C2)n1 257267775 MISCLGXOQQNIGZ-KRWDZBQOSA-N 331.460 1.893 0 40 EDAB CCC(CC)C(=O)N1CC[C@H](O)[C@@H](n2cnc3c(N)ncnc32)CC1 257226773 FMBVKSXTFLRKKP-STQMWFEESA-N 346.435 1.369 0 40 EDAB CC(C)(C)OC(=O)c1cccnc1NC(=O)CCS(C)(=O)=O 585125697 BTKFIYGNDHDBCN-UHFFFAOYSA-N 328.390 1.410 0 40 EDAB CONC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 585134344 OUGHRXHIDDWUHD-UHFFFAOYSA-N 334.376 1.739 0 40 EDAB Cc1nccn1CC(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257323621 WLDAGXKNCWIZSU-HNNXBMFYSA-N 329.404 1.029 0 40 EDAB CC(C)(CNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 96709441 VUUANYKENSWLNT-CYBMUJFWSA-N 328.409 1.590 0 40 EDAB O=C(CCc1cccs1)N1CCOC[C@H](Cc2cc(O)ncn2)C1 257272389 NCFMFBPLUVHPNI-CYBMUJFWSA-N 347.440 1.894 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(Cc3cncs3)CCN2C)c1 257294274 QTIVRBSAJALHPL-INIZCTEOSA-N 330.457 1.991 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(C(=O)c3ccon3)CCO2)ccn1 257335616 YLBSHVSYALPXLD-CQSZACIVSA-N 330.388 1.609 0 40 EDAB O=C1CO[C@@H]2CCN(Cc3cccc(Br)c3)C[C@@H]2N1 257226113 FJESHTDNMRWVDS-QWHCGFSZSA-N 325.206 1.538 0 40 EDAB Cc1c[nH]c(-c2cc(C3CCN(S(C)(=O)=O)CC3)nc(C)n2)n1 257217584 CZOQECMRJQLUFF-UHFFFAOYSA-N 335.433 1.623 0 40 EDAB CCCn1ccc(C(=O)N2CCOC[C@H]2c2cc(O)nc(C)n2)n1 257253961 KBAKICXLTSYKET-AWEZNQCLSA-N 331.376 1.311 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2cccc(COC)c2)CCO1 257275100 NNXCKHGYLHQFMX-OAHLLOKOSA-N 342.399 1.878 0 40 EDAB CN(C)c1nc([C@H]2CCN(C(=O)c3cnccn3)C2)cn2nccc12 257316887 VHKRDHSHQUQTHM-LBPRGKRZSA-N 337.387 1.215 0 40 EDAB O=C(NCCCOc1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 69737792 FIKKXVMUZPYTGK-CQSZACIVSA-N 348.424 1.555 0 40 EDAB CNS(=O)(=O)c1ccc(N2CC[C@H](c3nc(C)no3)C2)c(F)c1 649450533 OHJILPYOTJHOEW-JTQLQIEISA-N 340.380 1.419 0 40 EDAB CC(C)CCC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCOCC2)C1 575402882 DGVWGNLEFKVBOC-HNNXBMFYSA-N 334.420 1.061 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccn1C 575404927 WAJOXOKKPUNGRN-KFWWJZLASA-N 345.443 1.419 0 40 EDAB O=S(=O)(CCC(F)(F)F)NCCn1ccnc1-c1cnccn1 575607275 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C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H]1N(C)C 76055963 GLKKBMUUKCKSFN-YGRLFVJLSA-N 344.864 1.766 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)C2=NN(C(C)C)C(=O)CC2)no1 76044140 GFCAZZUFCKAYPH-GFCCVEGCSA-N 333.392 1.682 0 40 EDAB COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)OC[C@H]1C 58282392 JSACHMUIUCFYPT-ZJUUUORDSA-N 347.820 1.925 0 40 EDAB CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC(F)(F)CC2)C1 794293324 VKZFISLECOTXLL-NSHDSACASA-N 334.363 1.880 0 40 EDAB COc1ccc(COC(=O)N[C@@H](CC[S@@](C)=O)C(=O)O)cc1 5641257 GEKCUILAWRQQHC-YTEVENLXSA-N 329.374 1.143 0 40 EDAB COc1ccc(C(=O)Nc2ccccc2C(=O)O[C@H](C)C(N)=O)cc1 5969268 JPTRLBSPJVDPJU-LLVKDONJSA-N 342.351 1.978 0 40 EDAB Cc1cc2nc(COC(=O)COc3ccccc3F)cc(=O)n2o1 15734213 WFUZASQEJKOSSX-UHFFFAOYSA-N 332.287 1.857 0 40 EDAB COc1ccc(CNC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 19173170 VIYYHQXWYKZHNA-UHFFFAOYSA-N 348.424 1.592 0 40 EDAB Cc1nonc1CN(C)C(=O)[C@H](C)N1C(=O)[C@@H](C)Oc2ccccc21 19559045 GTCOCFOBGKKEHG-NWDGAFQWSA-N 344.371 1.539 0 40 EDAB O=C([C@@H]1CCOC1)N1CC(n2cc(COc3ccccc3)nn2)C1 225628549 TVXBMVGFYAABTC-CYBMUJFWSA-N 328.372 1.277 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)ccc1F 239579098 DEOSSEGUKBGZSV-BYCMXARLSA-N 329.393 1.749 0 40 EDAB Cc1ncnc(N2CCN(C(=O)COCc3ccccc3)CC2)c1F 1888859375 ZQFXCADBAZZVPS-UHFFFAOYSA-N 344.390 1.790 0 40 EDAB O=C([C@H]1CN(c2ccncc2Cl)CCO1)N1CCSCC1 1888882058 KPEDBRAZLWRCMF-CYBMUJFWSA-N 327.837 1.516 0 40 EDAB CCCc1nnsc1C(=O)NCc1cc(-c2cnccn2)nn1C 245173954 YDRRTCQMWLAVFW-UHFFFAOYSA-N 343.416 1.611 0 40 EDAB O=C1CC(C(=O)N2C[C@@H]3OCCN(CC4CCCC4)[C@H]3C2)=CC=N1 2056223612 WGHOVKALAKNKEI-HOTGVXAUSA-N 331.416 1.016 0 40 EDAB O=C(CC1CCOCC1)N1CC[C@@H]2C[C@]21C(=O)NCc1cccnc1 2056226020 HWZAOFSLCDPOIS-VQIMIIECSA-N 343.427 1.506 0 40 EDAB COc1cc(C(=O)N2CCC3(CC[C@H](c4nc(C)no4)O3)CC2)on1 1614946368 DTCVCIKHOXHAQD-LLVKDONJSA-N 348.359 1.901 0 40 EDAB Fc1cncnc1N1CCN(c2nccc(-c3ccccn3)n2)CC1 2086968353 QVUKRYGMSIYUCW-UHFFFAOYSA-N 337.362 1.794 0 40 EDAB COc1cccc(CN2CCC[C@](C(=O)N(C)C)(n3ccnc3)C2)c1 2055771817 AZNFJADMHMSEHX-IBGZPJMESA-N 342.443 1.971 0 40 EDAB CO[C@@H](CCSC)CNC(=O)C(=O)NCc1ccc(F)cc1 1775968237 ABZVAWHIBZXEDE-ZDUSSCGKSA-N 328.409 1.326 0 40 EDAB O=C(CNC(=O)OCc1ccccc1)N[C@@H]1CCC12CCOCC2 585409400 RPIGLASPBFZMBR-OAHLLOKOSA-N 332.400 1.988 0 40 EDAB O=c1ccc(-c2ccc(Cl)s2)nn1CC1(O)CCNCC1 12186820 MLDOCYJQHVGUKY-UHFFFAOYSA-N 325.821 1.740 0 40 EDAB COc1ccc(NC(=O)C[C@H]2N=C(N3CCOCC3)N=C2O)cc1 13733033 ZXZALABZDUSZMC-CYBMUJFWSA-N 332.360 1.051 0 40 EDAB CN1CCN(c2cnn(-c3cccc(Cl)n3)c(=O)c2Cl)CC1 20032047 BJHFXXGAFYTMSP-UHFFFAOYSA-N 340.214 1.686 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)c2ccc(Cl)nc2)CC1 40431700 AQWZBEKSBZVWIL-UHFFFAOYSA-N 331.825 1.279 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N(C)CCOc2ccccc2)o1 32679473 ATUBECFTYNNORP-UHFFFAOYSA-N 338.385 1.339 0 40 EDAB Cc1nnc(NC(=O)C2CCN(C(=O)c3cnoc3C)CC2)s1 31877585 SRVZBLUYFXRNSP-UHFFFAOYSA-N 335.389 1.634 0 40 EDAB CC(C)(C)c1noc(CS(=O)(=O)CC(=O)N2CCCCCC2)n1 40528975 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0 40 EDAB CN(C)c1ccc(NC(=O)C[C@@H](NC[C@H]2CCCO2)C(=O)O)cc1 2482652 FPTFIGQANAMRRC-HUUCEWRRSA-N 335.404 1.303 0 40 EDAB CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccco2)N(C)C)C1 42476225 UWFAIOGCYZRTLJ-LSDHHAIUSA-N 335.448 1.893 0 40 EDAB NC(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1 3598882 NOFREAKQCSUOOD-UHFFFAOYSA-N 338.319 1.909 0 40 EDAB CC(=O)c1ccc(OC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 23886305 IAVNLSKCBJZYFL-AWEZNQCLSA-N 325.386 1.609 0 40 EDAB CC(C)C[C@H]1NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O 24090627 JLHAQWLGHVEKKP-UKRRQHHQSA-N 338.379 1.670 0 40 EDAB CC(C)C[C@H](c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1 4874239 XCAHYNXEMCEZSU-OAHLLOKOSA-N 346.435 1.599 0 40 EDAB CCCCCNC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 6596971 WVOWXNSZTGVRAM-UHFFFAOYSA-N 328.434 1.768 0 40 EDAB CN(C)CCCNC(=O)c1cccc(I)c1 7771706 YZSDXDKWWBDLOA-UHFFFAOYSA-N 332.185 1.973 0 40 EDAB Cn1c(=O)c2c(C(F)(F)F)cc(-c3cccnc3)nc2n(C)c1=O 12572460 CMVGQJUOSKOFSH-UHFFFAOYSA-N 336.273 1.713 0 40 EDAB CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(OCC(N)=O)c1 106661610 HQBMSEUIKZMKDX-JKSUJKDBSA-N 331.416 1.250 0 40 EDAB C[C@@H](NC(=O)N[C@H](C)c1nncn1C)c1ccc2c(c1)OCCO2 43481542 JJTWYNWZAABUCA-GHMZBOCLSA-N 331.376 1.708 0 40 EDAB O=C(NC1CCN(C(=O)c2ccc[nH]c2=O)CC1)c1ccc(F)cc1 25215673 QQVSUXKCHJIKKW-UHFFFAOYSA-N 343.358 1.549 0 40 EDAB CS(=O)(=O)NCC[C@H]1CCCCN1Cc1nc(C2CC2)no1 52134243 ISXVGXWPBIQGGI-GFCCVEGCSA-N 328.438 1.241 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)CCOc2ccc(F)cc2F)CC1 95381648 WZMCKLKDFAPEBC-CQSZACIVSA-N 342.386 1.649 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NC[C@@H]3CCCO3)C2)nc1 57418556 VLQNUBULVGYGBR-GJZGRUSLSA-N 346.431 1.929 0 40 EDAB O=C(O)CCN1C(=O)S[C@H](CC(=O)Nc2nccs2)C1=O 1889465 XOPGAFXAALPEMU-ZCFIWIBFSA-N 329.359 1.010 0 40 EDAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cn1ccc(=O)n(C)c1=O 44687432 WGXPMASDDHGMOC-CYBMUJFWSA-N 345.399 1.278 0 40 EDAB Cc1ccc(F)cc1C(=O)OCC(=O)NC(=O)NCc1ccco1 10031688 XUOYHNUKCPCIBS-UHFFFAOYSA-N 334.303 1.910 0 40 EDAB CC/C=C/COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 58173541 VJOQAZHINFUHGX-ONEGZZNKSA-N 328.390 1.159 0 40 EDAB Cc1cc(CN(C)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)no1 44967766 IFTWDOAFAGQDOI-MRXNPFEDSA-N 338.452 1.871 0 40 EDAB Cc1ccc([C@@H](CNC(=O)CNC(=O)c2ccoc2)N(C)C)cc1 58326020 LYOYQOAVSRKTDR-MRXNPFEDSA-N 329.400 1.737 0 40 EDAB COc1cc(C)c(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1OC 27957236 UKXQPLBCMGUTPF-UHFFFAOYSA-N 339.417 1.566 0 40 EDAB CC(C)C[C@H]1NC(=O)N(C[C@@H](O)CN(C)Cc2ccccc2)C1=O 58402310 FZTMKPPQMRXDLX-JKSUJKDBSA-N 333.432 1.446 0 40 EDAB O=C(NCc1ccnc(-n2cccn2)c1)c1ccnc(-n2cncn2)c1 58428565 IUXHQMRSTQIVSM-UHFFFAOYSA-N 346.354 1.173 0 40 EDAB COCCOc1ccc(NC(=O)N[C@H](C)CN2CCCC2=O)cn1 58419942 SPSBVEMANBJYNW-GFCCVEGCSA-N 336.392 1.239 0 40 EDAB Cc1cc(C)n2nc(C(=O)NC[C@@H](C)N3CCC[C@H](C)C3)nc2n1 48230335 FTRXFNRAZZIGFM-SMDDNHRTSA-N 330.436 1.591 0 40 EDAB O=C1CSCN1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 28324845 PHZVQMJZKPZHRU-CYBMUJFWSA-N 348.424 1.654 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)NCc1ccnc(N2CCOCC2)c1 45845293 KXYGHGWTTRRLPM-INIZCTEOSA-N 348.447 1.486 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)CCOc2ccc(F)cc2)C1 29204534 RWFQQJBUIYZLIF-ZDUSSCGKSA-N 344.408 1.135 0 40 EDAB Cc1nccn1-c1cc(CNC(=O)N[C@@H](C)[C@@H]2CCCO2)ccn1 46100256 WMJFWVGGIWPUAZ-WFASDCNBSA-N 329.404 1.942 0 40 EDAB CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 48302372 SNAINTVZBZSPRS-JTQLQIEISA-N 332.809 1.157 0 40 EDAB COc1ccccc1CNC(=O)Cn1c(=O)n(C)c2ccccc21 12891513 UIHWXSAFAARZMJ-UHFFFAOYSA-N 325.368 1.665 0 40 EDAB COc1cccc(N2CCN(C(=O)CCNc3ncccn3)CC2)c1 13688351 XMIPEEGGQNQGAL-UHFFFAOYSA-N 341.415 1.636 0 40 EDAB CC[C@@](C)(CNC(=O)c1cnc2onc(C)c2c1)N1CCOCC1 65372589 KWPWBQYOZQTHNM-KRWDZBQOSA-N 332.404 1.762 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)COCCOc1ccccc1)CC2 65458093 CHBUWVXMAAENOE-AWEZNQCLSA-N 330.388 1.113 0 40 EDAB O=C1CCCN1CCCNC(=O)N1CC[C@H](Nc2ccccc2)C1 65529152 WYDFVTHTHAKXIK-INIZCTEOSA-N 330.432 1.895 0 40 EDAB O=C(c1ccoc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 14139060 GQJGPCVUISAJFS-UHFFFAOYSA-N 338.360 1.565 0 40 EDAB CC(C)C[C@@H](C(=O)Nc1nnc[nH]1)N1C(=O)c2ccccc2C1=O 5685982 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1.609 0 40 EDAB CNC(=O)CCOc1ccc(NC(=O)NCc2cccnc2)cc1 71857142 KZDPXNDDQANYJQ-UHFFFAOYSA-N 328.372 1.918 0 40 EDAB COC(=O)C[C@H]1CN=C(Nc2nc(C)c3ccc(C)cc3n2)NC1=O 22607722 DTVMRQBSYSFLNA-NSHDSACASA-N 341.371 1.324 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)CN(C)c2ccc(Cl)cn2)CC1 70011705 MZRDUEBGEWFOKL-AWEZNQCLSA-N 340.855 1.086 0 40 EDAB Cc1c(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)nnn1-c1ccc(F)cc1 71829624 YEVCLXFBQBRZRJ-CMPLNLGQSA-N 345.378 1.441 0 40 EDAB CCc1nc(CN2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)no1 69443008 KQIYBMJNIACYMM-NSHDSACASA-N 332.408 1.771 0 40 EDAB CC(C)(C(=O)N1CCN(c2ccc(=O)[nH]n2)CC1)c1ccccc1 69615967 WPVDMJFFHKQZOR-UHFFFAOYSA-N 326.400 1.396 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)OCCO3)c1 17859057 OJIZLCVMYOYXKQ-UHFFFAOYSA-N 347.392 1.791 0 40 EDAB CN1CCO[C@@H](CNCC(=O)N(Cc2ccco2)CC(F)(F)F)C1 69702856 SMRFPNFEFYTWDN-ZDUSSCGKSA-N 349.353 1.091 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)C(=O)NCC2CCCC2)ccc1F 69869906 NTYHPBAWOFSTMP-UHFFFAOYSA-N 346.366 1.355 0 40 EDAB Cn1cnn(CC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1=O 97048240 OWFNIKHYUWWNOM-CMPLNLGQSA-N 340.305 1.273 0 40 EDAB C[C@@H](NC(=O)N1CCNC(=O)CC1)c1ccc(OC(F)F)cc1 72274210 UDSHROCLDLPDIY-SNVBAGLBSA-N 327.331 1.881 0 40 EDAB CN1CCN(c2cc(C(=O)N3CCO[C@@H]4CCC[C@H]43)ccn2)CC1 72281043 BNHQKEKNAFHKKW-HZPDHXFCSA-N 330.432 1.227 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)no1 72299138 QLLSMFZJDRDHGU-CHWSQXEVSA-N 332.404 1.554 0 40 EDAB Cc1c(CNCCCn2cccn2)c(=O)n(-c2ccccc2)n1C 97125335 HSSCRTGJXDAPJX-UHFFFAOYSA-N 325.416 1.861 0 40 EDAB O=C(CN1CCCSc2ccccc21)NCC(=O)N1CCCC1 73625774 BDBJTOCOEBEVAR-UHFFFAOYSA-N 333.457 1.727 0 40 EDAB Cc1cc(NC(=O)CN(C)Cc2nc3ccccc3[nH]c2=O)no1 97201276 NTRGRECYFZCMAF-UHFFFAOYSA-N 327.344 1.290 0 40 EDAB Cc1noc(C)c1CN(C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 95951652 JBETWJFVMXHJGD-MRXNPFEDSA-N 338.429 1.860 0 40 EDAB Cn1cc(S(=O)(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1 95984249 GIDWQMULFXINGD-KBPBESRZSA-N 341.820 1.882 0 40 EDAB CN1CCC[C@@H](CNC(=O)N2CCNC(=O)C2)[C@@H]1c1cccs1 74538661 DUYQEYXDDDHEQG-SWLSCSKDSA-N 336.461 1.272 0 40 EDAB CCN(C)S(=O)(=O)NC[C@H](O)c1c(Cl)cccc1Cl 89960874 NZDNDZZHMUJBQM-JTQLQIEISA-N 327.233 1.813 0 40 EDAB Cc1n[nH]c([C@H]2CN(CC(=O)N(C)Cc3ccsc3)CCO2)n1 76048561 GVZQMNSZDVNXMU-CYBMUJFWSA-N 335.433 1.207 0 40 EDAB CCC(=O)N1CC[C@H](NCc2ccc(OCC(N)=O)cc2)[C@H](C)C1 76057294 ARWFYFSPKXHOJN-CJNGLKHVSA-N 333.432 1.287 0 40 EDAB Cn1cc(CN2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)cn1 306143038 XRKWTEBALSPFLJ-IRXDYDNUSA-N 331.420 1.067 0 40 EDAB O=CN1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 39773561 RCXTUWCJCGNBPJ-UHFFFAOYSA-N 333.407 1.338 0 40 EDAB CCOC(=O)c1c[nH]c(N2CCN(c3ccc(F)cc3)CC2)nc1=O 20636439 VIOLCMUOZWBNLK-UHFFFAOYSA-N 346.362 1.412 0 40 EDAB COCCN1CC[C@@]2(CN(C(C)=O)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306130596 JKRXPJDGGGXYGP-QAPCUYQASA-N 348.447 1.275 0 40 EDAB COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1c(C)noc1C 24350574 FLIVGIMLERUBQR-UHFFFAOYSA-N 336.369 1.829 0 40 EDAB Cc1ccsc1S(=O)(=O)N1CC[C@H](C(=O)O)C(F)(F)C1 514756229 WVPPQIXJOHYJLJ-MRVPVSSYSA-N 325.358 1.787 0 40 EDAB CCOC(=O)CCc1cc(N[C@H]2CCC[C@@H]2C(=O)NC)nc(C)n1 521398638 VPHFXMCHQSVACF-KBPBESRZSA-N 334.420 1.607 0 40 EDAB COC(=O)[C@H](C)OC(=O)c1nn(CC(C)C)c(=O)c2ccccc12 32666471 AZCJMRMMLGJVSP-NSHDSACASA-N 332.356 1.771 0 40 EDAB CC(=O)N1CCN(C(=O)CCN[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 129800917 JDSIENFIRHLTRS-KBPBESRZSA-N 349.397 1.778 0 40 EDAB COc1c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)[nH]c2ccccc12 552742135 QDKQWQFJGZQEHT-HIFRSBDPSA-N 327.384 1.964 0 40 EDAB O=S(=O)(c1cccc2c1OCC2)N1CC[C@H](Oc2cccnc2)C1 521394830 DTNHUKPPHZIAMQ-HNNXBMFYSA-N 346.408 1.859 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CC[C@@H]2C)cc1 557767563 PPWVNVFYDWXFQX-MJVIPROJSA-N 326.418 1.277 0 40 EDAB C[C@@H]1CN(C(=O)CNC2(c3ccccc3)CCOCC2)C[C@@H](C)O1 72633034 FJYGEJKAMVZIEM-HZPDHXFCSA-N 332.444 1.918 0 40 EDAB CC[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1ccc(COC)cc1 569020494 CYPMLOMCQJYRPT-UONOGXRCSA-N 327.402 1.707 0 40 EDAB CC(C)CN1CCO[C@@H](CNS(=O)(=O)N(C)C2CCCCC2)C1 32825833 QXMYLFVSOGMUCR-INIZCTEOSA-N 347.525 1.442 0 40 EDAB O=S(=O)(c1cncc(Br)c1S)N1CCOCC1 72210901 AWHODBKTCXHWBI-UHFFFAOYSA-N 339.236 1.154 0 40 EDAB O=C(NCc1ccnc(OCC(F)F)c1)c1cccc2nn[nH]c12 188695440 CXPVNUNHIYODHV-UHFFFAOYSA-N 333.298 1.927 0 40 EDAB Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NC3CC3)ccc21 40287015 PNJORKDEAUWPGM-UHFFFAOYSA-N 326.278 1.809 0 40 EDAB COc1cncc(S(=O)(=O)NC2(CC(=O)O)CCCCC2)c1 566176148 GTJFNDRFKZGNRZ-UHFFFAOYSA-N 328.390 1.546 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1 226085779 LDYKDLFHFZPATM-UHFFFAOYSA-N 342.461 1.916 0 40 EDAB CCOC(=O)c1c(C)n[nH]c1S(=O)(=O)NCc1ccccc1F 48991447 HDVCBHYFYUTPJH-UHFFFAOYSA-N 341.364 1.512 0 40 EDAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2Cn3nc(C)nc3NC2=O)cc1 40386801 BMUKDCTXOLIERQ-LLVKDONJSA-N 342.359 1.142 0 40 EDAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1ccc(F)cc1Cl)CC2 225788725 NUXKLXKYAIWWJD-NSHDSACASA-N 335.766 1.860 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@@H](O)c1csc2ccccc12 225692056 YWBDQJHULSJTQB-GFCCVEGCSA-N 332.381 1.200 0 40 EDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)NCc3cccs3)C2)nn1 225449478 IOGGLICCDOBFLN-LBPRGKRZSA-N 347.444 1.967 0 40 EDAB Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1nnn(C)n1 585089582 YTIPVFPYRIMAJW-UHFFFAOYSA-N 328.376 1.443 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2C[C@@H](C(=O)NC3CCC3)O[C@H]2C1 97953611 GRORQSJMZPMXQQ-JQFCIGGWSA-N 333.432 1.940 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@H]1[C@H]2c3ccccc3CC[C@H]21 95428260 KRQLVRFWDXTSDZ-SJWGOKEGSA-N 348.468 1.696 0 40 EDAB CCN1CCN(C)C(=O)C12CCN(C(=O)Cc1cccs1)CC2 96230250 HWSMJTNIAPQIEA-UHFFFAOYSA-N 335.473 1.446 0 40 EDAB CCn1cnnc1[C@H]1CN(C(=O)NC[C@H]2CCCS2)CCO1 583621491 SDDCSJNJEHOTAF-VXGBXAGGSA-N 325.438 1.277 0 40 EDAB O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2cc(N3CCOCC3)ncn2)C1 583616308 QNFQOLSWADAGQN-CVEARBPZSA-N 344.390 1.765 0 40 EDAB Cc1nc(CCNCc2cc(=O)c3cc(F)ccc3[nH]2)cc(=O)[nH]1 91736935 TUXPAHOTAAQXDW-UHFFFAOYSA-N 328.347 1.391 0 40 EDAB O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCOCC12CC2 580060808 ALFVPBNKDDVFLI-UHFFFAOYSA-N 337.319 1.981 0 40 EDAB OC[C@@H](O)CN(CCC(F)(F)F)c1ncc(Br)cn1 96461073 ZGRQGRCJAGXKKI-QMMMGPOBSA-N 344.131 1.351 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CN(Cc2ccoc2)C[C@H]2OCC[C@H]21 96038890 ZEWZDUUTZMTBLZ-RCCFBDPRSA-N 341.411 1.828 0 40 EDAB Cn1cccc1C(=O)N1CC[C@@]2(C[C@@H](Nc3ccccn3)CO2)C1 96219095 KXUVOLYAJGAFII-RDTXWAMCSA-N 326.400 1.906 0 40 EDAB NC(=O)c1csc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 96404147 YAQOFUJLNNRBSN-VXGBXAGGSA-N 340.470 1.974 0 40 EDAB C[C@H]1CN(C(=O)NCCOc2ccc(F)cc2F)CC[S@](=O)C1 580937366 MIKRMINAVRWETR-RULNZOCKSA-N 346.399 1.754 0 40 EDAB Cc1cc(N2CCN(C[C@H](O)COC(C)C)CC2)nc(C(C)C)n1 96967975 WVVPVGPPSAXHRH-INIZCTEOSA-N 336.480 1.816 0 40 EDAB Cc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1-n1cnnn1 95478581 PBJWCEMSKVSFLG-MAUKXSAKSA-N 341.415 1.738 0 40 EDAB CC(C)CN1C(=O)CO[C@@H]2CN(C(=O)COc3ccccc3)C[C@H]21 96081636 FBBFMNYPLVAOJO-HZPDHXFCSA-N 332.400 1.160 0 40 EDAB c1ccc(CO[C@@H]2[C@H](NCc3cccs3)CN3CCOC[C@H]23)nc1 96068901 JKSLCDSVADZBPM-KZNAEPCWSA-N 345.468 1.901 0 40 EDAB Cc1noc(CNC(=O)N2CCO[C@H](CCc3ccccc3)C2)n1 96502696 QKSRVGNOCYDHFS-OAHLLOKOSA-N 330.388 1.921 0 40 EDAB O=C(COC[C@H]1CCOC12CN(Cc1cccnc1)C2)N1CCCC1 247733796 JLBZXNDVLKOROO-QGZVFWFLSA-N 345.443 1.312 0 40 EDAB CCO[C@@H]1CCOC2(C1)CN(S(=O)(=O)c1cccc(OC)c1)C2 247942187 XOBFOZGZYGAUCD-CQSZACIVSA-N 341.429 1.654 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)[C@H]2CCN(C)S2(=O)=O)cc1 585089625 NZZWMKYAZUXFKM-OAHLLOKOSA-N 340.445 1.166 0 40 EDAB CCCCNC(=O)[C@H](C)N1CC[C@H](c2n[nH]cc2C(=O)OCC)C1 585116426 UUQJARBZEJGWGA-STQMWFEESA-N 336.436 1.681 0 40 EDAB COCC1(NC(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)CCC1 252488035 IHRXHXPZJMHSCL-UHFFFAOYSA-N 342.421 1.023 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CC[C@@H]4NC(=O)CO[C@H]4CC3)cc2c1C 257339858 ZDMPQAVXDCZWLB-IRXDYDNUSA-N 341.411 1.904 0 40 EDAB CCCS(=O)(=O)N1CCN(C=O)C[C@@H]1c1ccc(OC)cc1 257326111 WVVZYAJFMISCFY-OAHLLOKOSA-N 326.418 1.250 0 40 EDAB CO[C@@H]1CCCC[C@@H](NC(=O)CCn2cnc3ccccc32)[C@H]1O 257290007 QBBSRPYTTUWZHH-QGPMSJSTSA-N 331.416 1.861 0 40 EDAB NC(=O)c1c[nH]c2nccc-2c1N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2 521813801 DREIJXJRTLTGJC-KTJWGWDYSA-N 326.400 1.965 0 40 EDAB in-man C[C@H]1CN(C(=O)Cn2cc(Nc3ncc(F)cn3)cn2)C[C@@H](C)O1 253427279 LPQILQHXWCCXGK-PHIMTYICSA-N 334.355 1.192 0 40 EDAB CN(C)S(=O)(=O)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257228254 FTCKDLSFQAVBDG-HOTGVXAUSA-N 340.445 1.243 0 40 EDAB Cc1nc([C@H]2CCN2S(=O)(=O)c2ccccc2)cc(N(C)C)n1 257302809 SENWNXMLVVEKRV-OAHLLOKOSA-N 332.429 1.987 0 40 EDAB COCCO[C@H](C)c1nnc2n1CCN(C(=O)OC(C)(C)C)C2 1616038293 KJCCHJWUWDMQOR-LLVKDONJSA-N 326.397 1.753 0 40 EDAB CCCc1nc(C(=O)NCc2nn[nH]n2)nn1-c1ccccc1Cl 600505730 RGUHHXMEOZSBCJ-UHFFFAOYSA-N 346.782 1.316 0 40 EDAB Cc1nonc1NC(=O)C1CN(c2cc(-c3ccccc3)ncn2)C1 390828203 PKLXTIWEKPOSTL-UHFFFAOYSA-N 336.355 1.910 0 40 EDAB C[C@H](O)CN1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 69661832 IXJWRHRYXLRZQR-AWEZNQCLSA-N 339.443 1.530 0 40 EDAB COC[C@H](C)NC(=O)c1nc2c(o1)CCN(Cc1ccccc1)C2 585112589 RONVYRUNXLCAFB-ZDUSSCGKSA-N 329.400 1.998 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1)n1cncn1 78901708 WBZFFYTXWKAMJL-NXEZZACHSA-N 342.325 1.987 0 40 EDAB C[C@@H](NC(=O)CNc1cc(F)cc(Br)c1)C(=O)N(C)C 95418012 XPUVLMIXBSTUGH-MRVPVSSYSA-N 346.200 1.593 0 40 EDAB C[C@H](CO)NC(=O)[C@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1 1529031580 OIUFQILCIFKJNZ-VXAPYIKBSA-N 327.428 1.625 0 40 EDAB CC(C)(C)c1sc(C(=O)O)cc1S(=O)(=O)N1CC[C@H]1C(=O)O 1615571383 IDULYVFZWBEKEC-ZETCQYMHSA-N 347.414 1.591 0 40 EDAB S=C(NCCN1CCOCC1)Nc1ccc(N2CCCCC2)nc1 11101908 VQSTVWBKUPCRSW-UHFFFAOYSA-N 349.504 1.691 0 40 EDAB CN1[C@@H](C(=O)NCc2ccccc2)C[C@@H](c2ccco2)NS1(=O)=O 12159735 RFJFMXXLKHGWGH-UONOGXRCSA-N 349.412 1.176 0 40 EDAB CCOC(=O)[C@]1(Cc2cc([C@@H]3CCCNC3)no2)CCCN(C)C1 12275170 PTWLDRVNIUIKQH-KDOFPFPSSA-N 335.448 1.959 0 40 EDAB CCCC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O 12419620 LEGAMEPROJNAFQ-CYBMUJFWSA-N 340.401 1.493 0 40 EDAB NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 13362369 YFAZALMHPXQUAJ-UHFFFAOYSA-N 338.316 1.424 0 40 EDAB O=C(NCCCn1cccn1)N1CCN(Cc2ccccn2)CC1 159100060 IWNZXDOXSBUFSP-UHFFFAOYSA-N 328.420 1.196 0 40 EDAB CN(C)CCn1ccc(C(=O)N[C@@H]2CCOc3ccc(F)cc32)n1 519178661 MSGSQUDIKTYASM-CQSZACIVSA-N 332.379 1.837 0 40 EDAB CCN(CC)C[C@@H](C)NC(=O)c1c(Br)c(C)nn1C 2781027 DTXYNHVJXWPMJN-SECBINFHSA-N 331.258 1.951 0 40 EDAB Cc1ccnc(N2C[C@@H]3CN(c4cc(=O)n5ccccc5n4)C[C@H]3C2)n1 1888875819 HPIKKRVMGGVNDW-GJZGRUSLSA-N 348.410 1.366 0 40 EDAB COc1cnc(OC2CCN(C(=O)Cc3cnc(C)s3)CC2)nc1 1889139452 VXEBKBRTUISNAD-UHFFFAOYSA-N 348.428 1.863 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(Cc4cnoc4C)CC3)nn2)n1 1889139820 BYHFYWNEVXUBMA-UHFFFAOYSA-N 339.403 1.589 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 21669235 YLGOWQDSIVRCMR-VIFPVBQESA-N 348.327 1.371 0 40 EDAB CC(=O)N1CCN(C2CCOCC2)C[C@](O)(COc2ccccc2)C1 2037946978 RZTHFUOGPMKFCK-IBGZPJMESA-N 348.443 1.140 0 40 EDAB Cc1noc(C)c1CN1CCC(N(C)S(=O)(=O)C2CC2)CC1 2087140430 VCVGUVQGQCFMDZ-UHFFFAOYSA-N 327.450 1.680 0 40 EDAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(=O)O)cc1 4162479 ZZPCEVXJWMOFJJ-CYBMUJFWSA-N 334.328 1.202 0 40 EDAB CCCNC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479157 RWXBUFGQYUQRKK-UHFFFAOYSA-N 345.790 1.762 0 40 EDAB O=C(NC1CCC1)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055714599 LKSWUKFCGXZTSR-GFCCVEGCSA-N 330.432 1.787 0 40 EDAB c1csc(-c2ccc(N3CCN(Cc4nnco4)CC3)nn2)c1 1775976681 DBCVECDONOZBHO-UHFFFAOYSA-N 328.401 1.910 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)N2CCC(=C3CCC3)CC2)C1=O 1775966729 WLOBFINMRBDVDB-UHFFFAOYSA-N 327.406 1.380 0 40 EDAB O=C(CCN1C(=O)COc2ccccc21)NCCCn1cccn1 30169633 ZAVUSQHVNDNLPM-UHFFFAOYSA-N 328.372 1.205 0 40 EDAB CCOC(=O)N[C@@H](CNS(=O)(=O)N1CCC(C)CC1)CC(C)C 40091347 AUBLGERBWCTZLW-CQSZACIVSA-N 349.497 1.714 0 40 EDAB COC(=O)C/C(C(=O)OC)=C(/C)NCc1ccc(OC)c(OC)c1 100282460 RSEVAJYYOXIMSN-ACCUITESSA-N 337.372 1.804 0 40 EDAB CN(CCCNC(=O)c1cnc2sccn2c1=O)CC(F)(F)F 40534160 ROUQOBKHYKUAQP-UHFFFAOYSA-N 348.350 1.370 0 40 EDAB CCc1c(C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)csc1C 101564291 UMYTWNNDLRIQMO-ZDEQEGDKSA-N 334.397 1.426 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 21698950 XQOAJJIWBTXKJD-CHWSQXEVSA-N 338.429 1.611 0 40 EDAB CCc1ccc(-n2nc(CO)c(C(=O)NC[C@@H]3CCCO3)n2)cc1 21783387 WORFVCVAZUHPPT-AWEZNQCLSA-N 330.388 1.231 0 40 EDAB CC(C)[C@H](CNC(=O)[C@@H]1CC(=O)Nc2ccccc21)N1CCOCC1 41934529 QHEVHWTUGONELY-WBVHZDCISA-N 345.443 1.585 0 40 EDAB Nc1cc(-c2ccc(I)cc2)nn1CCO 37400132 LSFGCVDNWLUCEH-UHFFFAOYSA-N 329.141 1.729 0 40 EDAB in-vitro Cc1cc(-c2nn(C)c(Cl)c2CN2CCOC[C@@H](O)C2)no1 77298811 NLUCWFISLFKVDT-JTQLQIEISA-N 326.784 1.230 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)CCc3cscn3)CCO2)n1 78889246 SFOMNYUSSZEXKQ-GFCCVEGCSA-N 335.433 1.917 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1CCCc2c1cnn2C 78985110 HGYBKEHIHJRTMI-LBPRGKRZSA-N 343.431 1.917 0 40 EDAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1nncs1 54208639 REYXKZRAWAPQPU-UHFFFAOYSA-N 327.325 1.633 0 40 EDAB CC(C)C[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)O 4084616 BDWZXGZGXPGEHF-HEHGZKQESA-N 348.424 1.872 0 40 EDAB biogenic NS(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 4297072 ADFYTRFTVKKKLJ-UHFFFAOYSA-N 346.817 1.788 0 40 EDAB CC(=O)N1CCC(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CC1 105314024 GKVCTFCHSRMKET-DLBZAZTESA-N 331.416 1.202 0 40 EDAB COc1cc(OC)cc(C(=O)Nc2ccc(-n3cncn3)nc2)c1 12521777 CDENSJNMMBDLSQ-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB C[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1nncn1C 43135968 YZUQQVHWIGNPSD-KGLIPLIRSA-N 346.435 1.996 0 40 EDAB CNC(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 25082523 KILGWQDAPREQQE-UHFFFAOYSA-N 330.363 1.814 0 40 EDAB O=C1COc2cc(C(=O)NC[C@@H]3COc4ccccc4O3)ccc2N1 25173572 XWZSTEYVOXXFOZ-GFCCVEGCSA-N 340.335 1.587 0 40 EDAB c1cncc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)c1 100120862 VQNRZZXAQLZWDV-CRAIPNDOSA-N 337.427 1.970 0 40 EDAB CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 59444124 XJKIBFUVAFZFDG-UHFFFAOYSA-N 332.425 1.932 0 40 EDAB COc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1F 106918561 NBYMZQHVXCEWIW-SMDDNHRTSA-N 330.425 1.594 0 40 EDAB CNC(=O)COc1ccc(CNC(=O)c2ccc(N(C)C)nc2)cc1 55859148 BYDPLLJPLNVONA-UHFFFAOYSA-N 342.399 1.202 0 40 EDAB CO[C@H]1CCC[C@H]1OC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102759627 RGGMYSQMHXLFKM-QWHCGFSZSA-N 334.397 1.947 0 40 EDAB C[C@@H]1CN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C[C@@H]1N(C)C 107058399 XPRWTYXRDYXSNV-ZLDLUXBVSA-N 333.457 1.898 0 40 EDAB NC(=O)c1cccc(C(=O)Nc2cccnc2N2CCOCC2)c1 56164183 YCXWHMYVJQSKTP-UHFFFAOYSA-N 326.356 1.269 0 40 EDAB O=C(c1noc2c1CCCC2)N1CCN(Cc2cscn2)CC1 56249941 CRXZZGAQHFHXQV-UHFFFAOYSA-N 332.429 1.968 0 40 EDAB Cc1c(CC(=O)N[C@@H](C(N)=O)c2ccccc2)nnn1-c1ccccc1 57153306 YRIFRURFLUQINL-GOSISDBHSA-N 349.394 1.461 0 40 EDAB CN1CCC[C@H]1CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 58009062 ZOORYSIAOFNCTP-HNNXBMFYSA-N 341.419 1.891 0 40 EDAB CCO[C@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1cccc(C)c1)CCO2 107720429 JXONOTQETOJLJZ-BZUAXINKSA-N 325.430 1.952 0 40 EDAB CCOCC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 58295568 HHVUKBQJTOCJRG-UHFFFAOYSA-N 346.474 1.234 0 40 EDAB O=C1CN(c2ccc(NC(=O)c3cnc4ccccc4n3)cn2)CCN1 44918943 NXONHFVJDYKUJK-UHFFFAOYSA-N 348.366 1.213 0 40 EDAB COCc1cccc(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 58367663 LAECNBCQRNEEDV-ZDUSSCGKSA-N 344.333 1.860 0 40 EDAB CSCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1nc2ccccc2[nH]1 48302381 IEMZZONZLWFLCT-STQMWFEESA-N 332.429 1.752 0 40 EDAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC[C@@H]3CCCO3)cc2O1 12892108 PDAVNZZRUASYHQ-NSHDSACASA-N 349.383 1.810 0 40 EDAB biogenic Cc1ccc(C)c(S(=O)(=O)NCCNC(=S)NC2CC2)c1 45708689 NPOQWILOBQDYLH-UHFFFAOYSA-N 327.475 1.208 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCc2ccnc(Oc3ccccc3)c2)C1 45996952 RJELEJRRRMYHTL-CQSZACIVSA-N 340.383 1.891 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)NC[C@H](C)N3CCOCC3)c12 29961080 GULCWZVUDMXODL-NSHDSACASA-N 344.415 1.859 0 40 EDAB CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O 3487622 UFQTYSAAFXTGIP-GFCCVEGCSA-N 325.315 1.870 0 40 EDAB COc1ccccc1NC(=O)CN1C[C@@H](C(N)=O)Oc2ccccc21 13095260 SLHFAQWGHHAXBI-INIZCTEOSA-N 341.367 1.387 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 63773054 MEPMATGZONYIMF-SNVBAGLBSA-N 348.827 1.968 0 40 EDAB CCCS(=O)(=O)c1ccccc1C(=O)NCCS(=O)(=O)CC 65479442 RMPHNOSUTHCMPV-UHFFFAOYSA-N 347.458 1.035 0 40 EDAB C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(CCC(N)=O)C1=O 65515053 PHWJHZOEEIHZIE-CYBMUJFWSA-N 345.277 1.228 0 40 EDAB CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cnc2onc(C)c2c1 65622907 BRKFEXFGKHYZRW-NOZJJQNGSA-N 348.428 1.961 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3S2)c1 14208237 FLTPTKLNHLOCDQ-AWEZNQCLSA-N 334.422 1.990 0 40 EDAB O=c1c2cnc3ncnn3c2cc2n1C(=S)N[C@H]2c1ccccc1 22606873 XWGDUPITWQKKLC-ZDUSSCGKSA-N 334.364 1.265 0 40 EDAB Cc1c(CC(=O)NCc2ccco2)c(=O)oc2cc(O)cc(O)c12 6661032 DMXIULPZTUYSKF-UHFFFAOYSA-N 329.308 1.965 0 40 EDAB C[C@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)NC1CCCC1 7281270 OTPMUPWFBSBPLT-LBPRGKRZSA-N 328.372 1.871 0 40 EDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(OC)cc1 9485389 WEZKBKSXZZVPJC-ZIAGYGMSSA-N 340.470 1.786 0 40 EDAB Cc1cc(S(=O)(=O)NCCN[C@H](C)c2cnn(C)c2)c(C)s1 90580201 LLDRZWNDJIWBKQ-LLVKDONJSA-N 342.490 1.728 0 40 EDAB Cc1ccc(CNC(=O)COC(=O)c2ccccc2NCCO)cc1 7736554 NEFYOBUJSHKWFZ-UHFFFAOYSA-N 342.395 1.872 0 40 EDAB O=C(Cn1cnnn1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 90819349 OSCUEHKRIMUAAB-UHFFFAOYSA-N 338.158 1.804 0 40 EDAB CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cnccn1 68825191 BBBJMHDPCYRTIV-OCCSQVGLSA-N 336.461 1.933 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CO3)c1 70016874 WSQHIWPYFPRFOL-CQSZACIVSA-N 340.383 1.827 0 40 EDAB O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@@H]1COCCO1 71847577 UYJVXEKSJRTFPE-VIFPVBQESA-N 338.257 1.715 0 40 EDAB Cn1c(=O)c2c(ncn2CCCC(=O)OC2CCCCC2)n(C)c1=O 8391285 PDQBILLOMHDHIA-UHFFFAOYSA-N 348.403 1.090 0 40 EDAB CCc1ccc(S(=O)(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 8312292 RKTNLPFEPQKSGM-CYBMUJFWSA-N 331.459 1.447 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCC[C@H]1c1ccc[nH]1 71818727 XPKDLCJYYUXJCU-AWEZNQCLSA-N 344.415 1.933 0 40 EDAB C[C@@H](CN1CCOCC1)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 91513111 KQKDIKKLWSDVLH-GJZGRUSLSA-N 327.469 1.648 0 40 EDAB O=C(NCc1ccccn1)c1ccc(S(=O)(=O)NC2CC2)cc1 17167994 NPUQZCISJDJSQS-UHFFFAOYSA-N 331.397 1.452 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)N2CCc3ccccc32)n1 69568549 IGAQBQHXDLYHAT-KRWDZBQOSA-N 339.443 1.949 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N[C@H](C)c1cc(C)cc(C)c1 71885959 DWMBSXCRBROBLV-CQSZACIVSA-N 341.477 1.993 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)CCN2CCC[C@H]2Cn2cncn2)c1 69652071 IUZRBUCIFXQTIV-INIZCTEOSA-N 348.472 1.833 0 40 EDAB Cc1[nH]c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)OC(C)C 17636720 QGHXPNSGHBLVDL-LLVKDONJSA-N 342.417 1.114 0 40 EDAB CCc1nc([C@@H]2CN(C(=O)CN(C)Cc3ccccc3)CCO2)n[nH]1 83829890 KKUXHFORTXEXHH-HNNXBMFYSA-N 343.431 1.399 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCC[C@@H](n3nc(C)cc3C)C2)cn1 72235774 RUPJKLJWPHZJLU-OAHLLOKOSA-N 341.415 1.732 0 40 EDAB CCn1cc(S(=O)(=O)N2CCCc3cc(C(=O)O)ccc32)cn1 69918256 RCHVNAONJQRZTI-UHFFFAOYSA-N 335.385 1.743 0 40 EDAB CN(C)[C@H](CNC(=O)N[C@@H]1COc2ccccc21)c1cnn(C)c1 72287706 JCIQEJRFDHFBCP-HUUCEWRRSA-N 329.404 1.456 0 40 EDAB CC(=O)N(CCC(=O)N[C@H]1CCc2nccn2C1)Cc1ccccc1 72230630 ZRVDAFVLZFJDNM-KRWDZBQOSA-N 340.427 1.753 0 40 EDAB Cc1nc(C2CCN(c3ccc(C(=O)NC4CC4)nn3)CC2)no1 97105153 QQKCGGIJHYXWBJ-UHFFFAOYSA-N 328.376 1.444 0 40 EDAB CCn1nc(C)c(S(=O)(=O)NCC(=O)c2ccc(F)cc2)c1C 97147288 ABZSAEYTSWLVAM-UHFFFAOYSA-N 339.392 1.820 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)COCc1cccc(OC)c1)CC2 97198787 PEGHGEMOFIBEMX-CQSZACIVSA-N 344.415 1.497 0 40 EDAB COC[C@H](NC(=O)N1CCN([C@H](C)c2ccccn2)CC1)C1CC1 97143127 IWVFCLFULILMFE-PBHICJAKSA-N 332.448 1.895 0 40 EDAB CCN(Cc1cnn(C)c1)S(=O)(=O)N1CCC[C@@H]1c1ccco1 84777596 QQLICIITNCZNEV-CQSZACIVSA-N 338.433 1.917 0 40 EDAB CCS(=O)(=O)NCC(=O)N[C@@H](c1cc2ccccc2o1)C1CC1 95442862 RFMZTENTUNYMGF-MRXNPFEDSA-N 336.413 1.939 0 40 EDAB O=C(O)C[C@@H](NC(=O)c1ccc(O)nn1)c1ccc(Cl)s1 95463980 TZANIWVGQIJQSX-SSDOTTSWSA-N 327.749 1.843 0 40 EDAB CCCCc1noc([C@H](C)N2CCN(Cc3n[nH]c(C)n3)CC2)n1 95435056 GZIDKAKUWOIAQT-LBPRGKRZSA-N 333.440 1.718 0 40 EDAB C[C@@H]1CN(C(=O)NCc2ncccc2F)CCN1CC(F)(F)F 95977751 FHYMXQXMSWMZDM-SNVBAGLBSA-N 334.317 1.999 0 40 EDAB CCc1onc(C)c1NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 89445520 KSMLZEUASVRHHL-LLVKDONJSA-N 341.371 1.822 0 40 EDAB O=C(NCCCCN1CCOCC1)c1cc(=O)c2ccccc2[nH]1 75280163 FPMZZULRMDQXPG-UHFFFAOYSA-N 329.400 1.370 0 40 EDAB O=C(NCCc1nnc(-c2ccccc2)o1)C1(O)Cc2ccccc2C1 89853080 SHRGYEXUFRXSSP-UHFFFAOYSA-N 349.390 1.925 0 40 EDAB CC1(C)CN(S(=O)(=O)c2ccc(Cl)s2)CC[S@]1=O 89919671 YINMCLUTHJMJOL-KRWDZBQOSA-N 327.880 1.933 0 40 EDAB CCN(CC)S(=O)(=O)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 76016792 IDDOUGZYQZPKHH-VHSXEESVSA-N 332.372 1.771 0 40 EDAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@]2(CO)O1 408975564 NCAYHYXERLHWRB-IXKJSCDLSA-N 333.771 1.844 0 40 EDAB CC(C)[C@@H]1CN(C)CCN1C(=O)Cc1nc(C2CCOCC2)n[nH]1 1548650788 GSOQYAXLHWWVSW-AWEZNQCLSA-N 335.452 1.040 0 40 EDAB O=C1NC(=S)N/C1=C/c1ccc(O)c(I)c1 408961555 CXYZSDIONVNPTF-QPJJXVBHSA-N 346.149 1.342 0 40 EDAB CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 408708250 HVICFZWXOBZBIJ-UHFFFAOYSA-N 339.395 2.000 0 40 EDAB c1cnc(NC[C@H]2CN(C3CCOCC3)Cc3ccnn3C2)nc1 306127750 GGHUXYANSWWHJI-AWEZNQCLSA-N 328.420 1.396 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)NCc1nc(COc2ccccc2)n[nH]1 185903331 CMRYSNZTHLGMEC-QWHCGFSZSA-N 345.403 1.703 0 40 EDAB O=C(CN1CCC[C@H](c2ccn[nH]2)C1)NCCOc1cccc(F)c1 72270706 QLUCYQCLPHRNNY-AWEZNQCLSA-N 346.406 1.923 0 40 EDAB NC(=O)[C@H]1CN(c2ccc3cc(Br)ccc3n2)CCO1 77214301 FEYQQECUZMRXKK-GFCCVEGCSA-N 336.189 1.688 0 40 EDAB COc1ncc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cn1 224285400 LQXDISGMXZNMBC-UHFFFAOYSA-N 325.346 1.303 0 40 EDAB O=C(O)CCN1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 69626503 HHEJEFHPMUATOS-LBPRGKRZSA-N 330.381 1.043 0 40 EDAB CCOc1ccccc1N1C[C@H](C(=O)NCCN(C)C2CC2)CC1=O 63118314 ZCGRMXJPKWFKFS-CQSZACIVSA-N 345.443 1.649 0 40 EDAB CCc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnn3)C2)s1 225419224 IGTRPKVTOAKRKO-LLVKDONJSA-N 339.442 1.943 0 40 EDAB COCCN1CC2(CCN(Cc3cccnc3)CC2)[C@H](COC)C1=O 96206417 ZDASNCXNRMLGML-QGZVFWFLSA-N 347.459 1.415 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N[C@H]2CCc3nnc(C(C)C)n3C2)no1 97199391 BELLMYUYBVJMJT-RYUDHWBXSA-N 332.408 1.630 0 40 EDAB C[C@H](c1ncc(C(C)(C)C)o1)N1CCN(CCS(C)(=O)=O)CC1 95435045 NFXNEPBUHHOZTD-CYBMUJFWSA-N 343.493 1.695 0 40 EDAB O=S(=O)([C@H]1CCN(CCc2ccccc2F)C1)N1CCCC1 97095667 KNQORMVPVXUVMY-HNNXBMFYSA-N 326.437 1.868 0 40 EDAB Cc1noc(C)c1CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 96221620 LRWNFKZMODPSKP-KGLIPLIRSA-N 327.384 1.642 0 40 EDAB biogenic O=C(CN1CCO[C@@H](c2nccs2)C1)NCCc1ccsc1 97200015 SEVJLDRCQKTEEM-CYBMUJFWSA-N 337.470 1.937 0 40 EDAB COCCN1CCC2(CC1)COCCN2Cc1csc(C)n1 96226196 ZXTMQAYMKNGVMU-UHFFFAOYSA-N 325.478 1.765 0 40 EDAB C[C@H](CN1CCN(C)CC1)NC(=O)NCCOC1CCCCCC1 96411455 BPLURBUXVMMCBX-MRXNPFEDSA-N 340.512 1.661 0 40 EDAB O=C(C1CCOCC1)N1CCOC[C@]2(CCN(Cc3ccco3)C2)C1 96202168 MELZWGVYBUUKNR-IBGZPJMESA-N 348.443 1.757 0 40 EDAB Cc1cnc(C(=O)N2CCn3cc(CN4CCCC4)nc3C2)cn1 96197226 NMBMYTQZEMRDTH-UHFFFAOYSA-N 326.404 1.233 0 40 EDAB C[C@@H](NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)C(=O)N(C)C 96439268 IHVFRSZHSZHANR-CHWSQXEVSA-N 329.404 1.709 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ncc(F)cn2)C1 96244406 HICHSIPGEHTRGI-QGZVFWFLSA-N 344.394 1.458 0 40 EDAB C[C@H](CNC(=O)Cn1cnnn1)Oc1ccccc1Br 96451763 ZUMCKPCNWGCTIB-SECBINFHSA-N 340.181 1.019 0 40 EDAB CCOCCNC(=O)C(=O)Nc1cc(Br)ccc1F 96413477 ANGGPPIUKPDOGE-UHFFFAOYSA-N 333.157 1.679 0 40 EDAB CC(=O)NC1(c2noc(-c3c(C)c(C)nn(C)c3=O)n2)CCCCC1 95448471 UEORZCOHVWNZEJ-UHFFFAOYSA-N 345.403 1.743 0 40 EDAB COCCN1CCC2(CCN(C(=O)c3cccc(C)n3)CC2)C1=O 96046798 SEKOPUDBFCHFJU-UHFFFAOYSA-N 331.416 1.491 0 40 EDAB Cc1c(N[C@@H]2CCC(=O)N(C)C2)nn2c(C(F)(F)F)nnc2c1C 96483128 RCFDFUUTWHIWSB-SECBINFHSA-N 342.325 1.793 0 40 EDAB CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)cnc1Cl 583651915 VKVGCUJLPKZWNS-LURJTMIESA-N 326.205 1.191 0 40 EDAB CCn1cc(S(=O)(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)cn1 583651302 IVSPQCRUPHIBQB-SNVBAGLBSA-N 340.371 1.208 0 40 EDAB COc1cccc(C(=O)N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]32)c1 96100053 LSRAXKOFWNRINN-NUJGCVRESA-N 344.411 1.690 0 40 EDAB CC(C)N1CCc2ncn(C(C)C)c2[C@H]1C(=O)N1CCN(C)CC1 96264994 VBJFFAHYBXVEPO-KRWDZBQOSA-N 333.480 1.546 0 40 EDAB Cn1cc(CN2CCN3C[C@H](OCc4ccccn4)C[C@H]3C2)cn1 96183460 HLUPZDJDYLRTBR-ZWKOTPCHSA-N 327.432 1.290 0 40 EDAB COCC(=O)NC[C@@H]1CN(CCc2ccccc2)Cc2ccnn2C1 247816756 GIDNDUACLFVOMQ-QGZVFWFLSA-N 342.443 1.320 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cnccn3)CCO2)n1 257238076 HJLYYWOBMRKICX-INIZCTEOSA-N 327.388 1.460 0 40 EDAB COc1ccc(-c2nnc(NC[C@@H]3COC4(CCOCC4)O3)o2)cc1 585092517 BJSUIUURDUFCDH-CQSZACIVSA-N 347.371 2.079 0 40 EDAB CCc1cc(C(=O)NC[C@@]2(O)CCCN(c3cc(C)ncn3)C2)on1 257308104 TVKKSWLCGDOCDV-KRWDZBQOSA-N 345.403 1.097 0 40 EDAB COc1ccc(OCC(=O)N2CCO[C@H](c3cccc(N)n3)C2)cc1 257274779 NMPGXYMQFLYPQH-INIZCTEOSA-N 343.383 1.651 0 40 EDAB COCc1cccc(NC(=O)N2CCCC[C@H]2CS(N)(=O)=O)c1 585136054 NZWYYMAWEAHSSX-AWEZNQCLSA-N 341.433 1.508 0 40 EDAB COc1cccc(CC(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)c1 257335827 YMAYRGVTHKIOOH-JFIYKMOQSA-N 329.400 1.705 0 40 EDAB C[C@H]1CO[C@@H](CO)CN1Cc1cnc(SC(F)(F)F)n1C 585117225 VMTDJBCPGIOXSN-WCBMZHEXSA-N 325.356 1.614 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)c1cc(Cl)c(Br)cn1 585121350 MZPDHDBEANFWLJ-UHFFFAOYSA-N 346.612 1.848 0 40 EDAB CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2ccc(O)c(F)c2)[C@H](O)C1 585126645 FBVYQRHKSAFTQH-VHRBIJSZSA-N 339.363 1.742 0 40 EDAB Cc1cccc2nc(C(=O)N3CCC4(CC3)OCCC[C@@H]4O)cn12 257324122 WNGZKKVNAAUJCI-HNNXBMFYSA-N 329.400 1.789 0 40 EDAB Cn1cc(-c2cnc(CC3CCN(S(C)(=O)=O)CC3)cn2)cn1 257325006 WRBRIEFLKHCQJH-UHFFFAOYSA-N 335.433 1.091 0 40 EDAB CC(=O)NCc1cccc(-c2cccnc2C(=O)N2CCOCC2)c1 257264141 LTCDVTOWTQDBRH-UHFFFAOYSA-N 339.395 1.857 0 40 EDAB CC(=O)N1CCN(CC(=O)N2CCCCC2)[C@H](c2ccccc2)C1 257200930 AFJJJAVTKKSLQZ-SFHVURJKSA-N 329.444 1.904 0 40 EDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NC2CCOCC2)c1 257254668 KEEMOUMERRNODA-UHFFFAOYSA-N 342.399 1.417 0 40 EDAB Cc1cc(C)cc([C@H](O)CNC(=O)N[C@H](C)CCS(C)(=O)=O)c1 252508805 XUOYEFUNXGLYAT-UKRRQHHQSA-N 342.461 1.459 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2coc(C)n2)CC1 257342149 ZNGRNFDEVIJFLX-UHFFFAOYSA-N 343.387 1.429 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)c2coc(C)n2)n1 257258974 KWHLZOYVDAPGBG-CQSZACIVSA-N 329.360 1.386 0 40 EDAB COc1cccc(F)c1CN1C[C@@H](O)[C@H](NC(=O)c2ccccn2)C1 257215335 CPQJFSAUAKTUCB-HZPDHXFCSA-N 345.374 1.204 0 40 EDAB CCCC(=O)N1CCC[C@H](C(=O)N2CC[C@@](C(=O)O)(C(C)C)C2)C1 262790561 BSYVOSZUHJVWMP-KSSFIOAISA-N 338.448 1.984 0 40 EDAB C[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1cc(F)ccc1N(C)C 1615544630 ALRZCDHEIWMFAS-NSHDSACASA-N 343.424 1.393 0 40 EDAB COC(=O)c1cc(CN2CC[C@@H](S(C)(=O)=O)C2)c(Cl)cc1O 1615613778 JZIJCWHJKSINLK-SNVBAGLBSA-N 347.820 1.451 0 40 EDAB CCN(C1CCCCC1)S(=O)(=O)c1c(C2OCCO2)cnn1C 1616036675 RFNPQRBXPDVTPU-UHFFFAOYSA-N 343.449 1.809 0 40 EDAB O=C(O)Cn1cc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)cn1 647746064 YCBILHZJCRPZLN-CYBMUJFWSA-N 346.318 1.098 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 575404200 MRLLNXNGSINWNM-ZDUSSCGKSA-N 328.459 1.760 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2c3ccncc3C[C@H]2C)cn1 585141144 QKXUPXDJMPKHJU-SNVBAGLBSA-N 333.369 1.403 0 40 EDAB O=C([C@H]1[C@H]2COC[C@H]21)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 585108771 BLBZNVZIRGLBFX-ONTMVUMWSA-N 344.411 1.249 0 40 EDAB NC(=O)c1cn(C2CCN(C(=O)NCCc3ccsc3)CC2)nn1 585123203 SCSASLPLKKSBFV-UHFFFAOYSA-N 348.432 1.028 0 40 EDAB Cc1ccc(OC[C@@]2(O)COCCN(Cc3cc(C)on3)C2)cc1 585269550 YPGSBDORKYWNRR-SFHVURJKSA-N 332.400 1.934 0 40 EDAB COc1cc(CNS(=O)(=O)c2cncc(OC(C)C)c2)on1 585123450 NGELKURKWKCRGR-UHFFFAOYSA-N 327.362 1.344 0 40 EDAB COc1ccc(C)cc1NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 67557479 WHMPENCBPHSJTM-GFCCVEGCSA-N 341.433 1.549 0 40 EDAB COc1c(C(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)nn1C 69979968 HAEOODZXOFSTHT-NSHDSACASA-N 339.392 1.903 0 40 EDAB CCNC(=O)CN1CCCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 68104942 IIVCXUFFADNHPU-ZDUSSCGKSA-N 336.263 1.241 0 40 EDAB CC1(C)CC(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC(C)(C)N1 69460495 FWQQKKNKBATDCC-KBPBESRZSA-N 349.475 1.587 0 40 EDAB C[C@H]1CN(CC(=O)N(Cc2ccccc2)C2CC2)CCN1C[C@@H](C)O 71864580 ZQKVZJYWTZTDMC-DLBZAZTESA-N 345.487 1.565 0 40 EDAB O=C(O)c1nn(-c2ccccc2I)cc1O 36721606 SCDVWFCKGFBVRM-UHFFFAOYSA-N 330.081 1.881 0 40 EDAB in-vitro CC(C)c1ccc(OCC(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 58244615 AENJRFFYEOQMSE-AWEZNQCLSA-N 334.416 1.552 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)COc3ccccc3)CCO2)n1 76046030 PNMDWBVBIIDNKB-CQSZACIVSA-N 330.388 1.736 0 40 EDAB CCC(=O)N1CCC[C@@H](C(=O)NCC2(SC)CCOCC2)C1 76041203 ZXJWBYNFSBJTLJ-CYBMUJFWSA-N 328.478 1.663 0 40 EDAB Cn1ncc(N[C@@H](Cn2cncn2)c2ccccc2)c(Cl)c1=O 76063458 VXYXJCMMNLJSOP-ZDUSSCGKSA-N 330.779 1.879 0 40 EDAB CC(C)N1C(=O)N[C@](C)([C@@H]2CCCN(CCOCC3CC3)C2)C1=O 89869733 RCZAZSHASZTHFM-CRAIPNDOSA-N 337.464 1.844 0 40 EDAB CCc1nc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n[nH]1 97096403 WOCMKUDYZRDUKV-UHFFFAOYSA-N 349.460 1.182 0 40 EDAB Cc1ccc(N2CCC[C@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)nn1 585234420 QNUWFHYRZRHYAW-AWEZNQCLSA-N 339.399 1.739 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(c2ccc(C3CC3)nn2)C1 827736467 UEKPHOVZGONIJM-LSDHHAIUSA-N 330.432 1.866 0 40 EDAB CC(=O)N1CCN(C2COC2)C[C@H](Cc2cccc3ncccc23)C1 1615155165 OVRPRACHEUAUAD-MRXNPFEDSA-N 339.439 1.956 0 40 EDAB O=C(CN1CCCC1)N1CCC(n2nnc3ccccc3c2=O)CC1 12145856 FAMJQSKROCJSSH-UHFFFAOYSA-N 341.415 1.051 0 40 EDAB Cc1cc(NC(=O)COc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 17011576 MOXOKZUPUYYATH-ZDUSSCGKSA-N 349.412 1.569 0 40 EDAB CCn1cc(S(=O)(=O)N2CCC[C@@]3(CC=CNC3=O)C2)c(C)n1 19524649 JTKYEEIKRZQSME-HNNXBMFYSA-N 338.433 1.016 0 40 EDAB COc1ccc(OCC(=O)N2CCN(Cc3cccnc3)CC2)cc1 19842085 XBAYODMCUBQJTP-UHFFFAOYSA-N 341.411 1.813 0 40 EDAB Nc1c(C(=O)NC2CCCC2)nnn1-c1ccc2c(c1)OCCO2 4985058 HJXNSSYZDPCRED-UHFFFAOYSA-N 329.360 1.293 0 40 EDAB Cn1cnc2ncnc(N3CCN(c4ncc(Cl)cn4)CC3)c21 1888888317 HQDHABBDTQCXNY-UHFFFAOYSA-N 330.783 1.133 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(c2cnc3ccccc3n2)CC1 1888906867 WRFVABDOXBHXQQ-AWEZNQCLSA-N 327.432 1.665 0 40 EDAB O=C([C@@H]1CN(c2ncc(Br)cn2)CCO1)N1CCCC1 1889095438 DLAFQIYROGENNV-NSHDSACASA-N 341.209 1.067 0 40 EDAB Nc1ccc(Br)cc1C(=O)OCC(=O)N1CCOCC1 8780458 LCVKWMKEIWOYRC-UHFFFAOYSA-N 343.177 1.047 0 40 EDAB COc1ccc(CN2CCO[C@]3(CO[C@H](C(=O)N(C)C)C3)C2)cc1 2056225801 CBOPZMYTDRVXCE-WMZOPIPTSA-N 334.416 1.143 0 40 EDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)CC3)O2)n1 1565542925 ITOAYVDNBDVXFG-RFQIPJPRSA-N 333.388 1.483 0 40 EDAB CCOC(=O)[C@]1(C(F)(F)F)N=C(c2cccnc2)OC(N(C)C)=N1 4207752 RUBSXBXSCXARIZ-ZDUSSCGKSA-N 344.293 1.598 0 40 EDAB O=C(CCc1ccc[nH]1)N[C@@H]1COCc2c1cnn2C1CCOCC1 2055725615 JGPVMWUSMXZNEA-MRXNPFEDSA-N 344.415 1.883 0 40 EDAB COc1ncccc1C(=O)N[C@@H]1CCc2onc(CN(C)C)c2C1 2055730247 POJUABCPSJZERY-LLVKDONJSA-N 330.388 1.427 0 40 EDAB COC(=O)N1CCC(CNC(=O)C(=O)N[C@H](C)c2ccccc2)CC1 43941813 ADHXXTCBBHDBPF-CYBMUJFWSA-N 347.415 1.458 0 40 EDAB C[C@H](NC(=O)C(=O)NC[C@](C)(O)Cc1ccco1)c1ccccc1 206620586 XRCZQUYAGOVNGF-SCLBCKFNSA-N 330.384 1.567 0 40 EDAB Cc1c(C(=O)N2CCn3cccc3[C@@H]2C)cnn1-c1ccc(O)nn1 30261585 UZSDBWDGFPMXRL-LBPRGKRZSA-N 338.371 1.695 0 40 EDAB Cn1cnnc1[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 40513457 AXDGQTWHDWCVNR-ZDUSSCGKSA-N 327.454 1.115 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN1c1ccc2nnc(C(F)(F)F)n2n1 40511181 MZPCPMVKFONJAV-VIFPVBQESA-N 340.309 1.391 0 40 EDAB O=C(NC[C@H]1CCCO1)c1nn(-c2ccc(Cl)cc2)nc1CO 21783329 ZXUPPFIFDQSIIM-GFCCVEGCSA-N 336.779 1.322 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NC[C@H](C(C)C)N3CCOCC3)cc12 32935020 RGHHRFLDKYBBPY-MRXNPFEDSA-N 345.447 1.363 0 40 EDAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C[C@H](O)COC2CCCCC2)C1 489204 DXUPJBKWHBRLDL-ZACQAIPSSA-N 346.471 1.978 0 40 EDAB biogenic CC(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 53356044 JXYUECJHKVLKJY-CQSZACIVSA-N 347.390 1.259 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC3CC3)cc2)cn1 53678502 HQEADVPPPLDBHM-UHFFFAOYSA-N 345.424 1.761 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC1 61341734 BEBDWJFRQFBIIR-UHFFFAOYSA-N 340.427 1.853 0 40 EDAB NC(=O)CCN(CC(=O)NCc1cccs1)c1ccc(F)cc1 72293938 HMOYGXSYRLVNNX-UHFFFAOYSA-N 335.404 1.885 0 40 EDAB O=C(NCCCOCc1ccccc1)N[C@H]1CCS(=O)(=O)C1 47595730 JICYWIJAGOWDKF-AWEZNQCLSA-N 326.418 1.080 0 40 EDAB O=C(NCc1ccco1)NC[C@@]1(N2CCOCC2)CCSC1 42309850 DWXLXLKMOLZTSY-HNNXBMFYSA-N 325.434 1.287 0 40 EDAB COc1cc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc(OC)c1 4920990 AHDCVSYEYRWMAF-UHFFFAOYSA-N 336.373 1.100 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccnc(N3CCCC3)c2)CC1 42626706 KICYRLWIORUYGW-UHFFFAOYSA-N 331.420 1.089 0 40 EDAB COc1cccc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)c1 6325719 KRGZQNCCKLIDNF-UHFFFAOYSA-N 328.434 1.624 0 40 EDAB O=C1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CCN1 54638725 WWBJEITZAOYKAU-SFHVURJKSA-N 340.423 1.915 0 40 EDAB O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)[C@H]1CC(=O)N(C2CCCC2)C1 43056152 FCPUXUBPUQWHQU-LRDDRELGSA-N 343.427 1.660 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCC3(N(C)C)CCCC3)CC2)no1 43146805 IAFSXHOVCGQGAB-UHFFFAOYSA-N 349.479 1.685 0 40 EDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CNC(=O)c1ccccc1 8185584 SXTNITMYZHCQIM-KBPBESRZSA-N 332.400 1.749 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cccn1)N1CCO[C@@H]2CCCC[C@H]21 106784331 UYYYBCIQZZVRSA-BRWVUGGUSA-N 332.448 1.518 0 40 EDAB Cc1ccc(O)c(C(=O)NCc2ccnc(N3CCOCC3)c2)c1 25289889 CCQGQIPOHSQZJZ-UHFFFAOYSA-N 327.384 1.862 0 40 EDAB O=C(c1ncn2c(=O)n(C3CCCCC3)nnc12)N1CCCCC1 1408504 DIMCFSKOFNLODB-UHFFFAOYSA-N 330.392 1.417 0 40 EDAB CCC(CC)[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1cccs1 56008103 MNZSZPPNWDMZED-MRXNPFEDSA-N 349.456 1.902 0 40 EDAB CCc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)C2CC2)CC1=O 43945022 RXAFSCXGHYWXDF-HNNXBMFYSA-N 343.427 1.244 0 40 EDAB COC(=O)C1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 108397674 SBTARYSLYMIFJV-GOEBONIOSA-N 330.428 1.966 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n(C)c1 27087374 BZAMFAYLHQMCRE-SNVBAGLBSA-N 339.392 1.563 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2cc(Cl)ccc2F)C1 27113388 TXVNPFJQVGPUII-SECBINFHSA-N 342.754 1.360 0 40 EDAB Cn1c(Cn2c(C(F)(F)F)nc3ccccc32)cc(=O)n(C)c1=O 44895944 BPKRBWPRSWGGRD-UHFFFAOYSA-N 338.289 1.501 0 40 EDAB O=C(CN1CCN(c2nc3ccccc3s2)CC1)N1CCOCC1 12762070 CGEOOWZRQDHQRX-UHFFFAOYSA-N 346.456 1.277 0 40 EDAB C[C@@]12C[C@@](C)(CC1=O)[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]12 2192312 QBBIKAMODROGHL-QIZIZJAASA-N 327.336 1.880 0 40 EDAB CN(C)[C@]1(C(=O)NCCc2nnc3n2CCC3)CCc2ccccc21 95394848 VNVCFTXGLYDGIE-LJQANCHMSA-N 339.443 1.286 0 40 EDAB COc1cccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1O 3366605 LFOFBODEJHIUFL-UHFFFAOYSA-N 336.344 1.326 0 40 EDAB CN1CCN([C@H](C(=O)O)c2cn(C)c3ccc(C(=O)O)cc23)CC1 36353624 UQYGWVZOCKLYFG-HNNXBMFYSA-N 331.372 1.250 0 40 EDAB O=C(NCc1ccc(CO)c(F)c1)[C@@H]1CCCN(c2ncccn2)C1 95373541 AMMKAFMBQOBOKL-CQSZACIVSA-N 344.390 1.641 0 40 EDAB Cc1ccc(OCCN(C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 48301291 JCKIYVFINQNISD-ZDUSSCGKSA-N 326.418 1.202 0 40 EDAB Cc1sc2nc([C@@H](C)Sc3n[nH]c(=O)n3C)[nH]c(=O)c2c1C 48346051 QHGFDZNEGXBJSV-SSDOTTSWSA-N 337.430 1.877 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)Cc1cnc(C)s1 48383760 JBYJMTLXGHYPRJ-UHFFFAOYSA-N 344.418 1.172 0 40 EDAB NC(=O)[C@H]1CC(C(=O)NCc2cccs2)=NN1c1ccccc1 29435779 VCYHSPSZRUHHQH-CQSZACIVSA-N 328.397 1.485 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)C(=O)NC1CCCC1 48309406 DUTQKLWNADPULW-NSHDSACASA-N 328.409 1.860 0 40 EDAB COc1ccccc1S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)C 48367056 ZNYXPMQPJCDANF-GFCCVEGCSA-N 328.434 1.476 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CN1C(=O)CCC1=O 24454347 RBIKMJQUKBDRGL-LLVKDONJSA-N 342.351 1.740 0 40 EDAB NC(=O)C[C@H]1CCCCN1C(=O)CCn1cnc2ccccc2c1=O 60292080 UYGGDNJSHVQUCF-CYBMUJFWSA-N 342.399 1.043 0 40 EDAB O[C@H](COc1ccc(F)cc1)CN1CCN(c2ccccn2)CC1 46341864 MYAXZAZIPXRUPV-INIZCTEOSA-N 331.391 1.783 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)NC(=O)COC(=O)c2cnn(C)c2)[C@@H]1C 12851668 FZUPFTKOSGBPME-WZRBSPASSA-N 336.392 1.227 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccc(OC(F)(F)F)cc1 12985446 CVTXUYSBCVDOFB-SECBINFHSA-N 333.310 1.861 0 40 EDAB CN(CC(=O)Nc1ccc(Br)cn1)Cc1cn(C)nn1 92907110 BZWOMKJZCVEPAS-UHFFFAOYSA-N 339.197 1.043 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2c(C)noc2C)C1 84023353 NVCUWUBEAZBRMZ-AWEZNQCLSA-N 333.392 1.606 0 40 EDAB Cc1csc(N2CCN(Cc3cccc(OCC(N)=O)c3)CC2)n1 63994441 FPOKPMUSFNVTJR-UHFFFAOYSA-N 346.456 1.638 0 40 EDAB Cc1noc(C)c1CNC(=O)C(=O)Nc1ccc2nsnc2c1 13731108 GOVYYBSAVBORNW-UHFFFAOYSA-N 331.357 1.551 0 40 EDAB O=C(O)CN1C(=O)N/C(=C/c2cccn2-c2ccccc2F)C1=O 408595087 VOKXQJCESXFVIQ-XYOKQWHBSA-N 329.287 1.594 0 40 EDAB Cc1cccn2cc(CNS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)nc12 95454377 VLVBFCYIGIKENZ-CHWSQXEVSA-N 338.433 1.086 0 40 EDAB C[C@H](NC(=O)[C@H](c1ccccc1)n1cnnn1)c1nnc2ccccn12 95472118 SBFOLDKBSDYXGN-WFASDCNBSA-N 348.370 1.183 0 40 EDAB CCN1C[C@H](CN(C)C(=O)CCn2cncn2)Oc2ccccc21 65407639 GRRUUBHYYMIBNT-AWEZNQCLSA-N 329.404 1.414 0 40 EDAB Cc1nn(C)c(C(=O)N[C@@H]2CCc3nccn3C2)c1Br 65530259 SGADZWYWXRQMFV-SECBINFHSA-N 338.209 1.432 0 40 EDAB C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1nnc2n1CCC2 65563028 SQABUPBEYZQFJV-VIFPVBQESA-N 327.344 1.046 0 40 EDAB CN(C)c1nccc(N2CCN(Cc3cc(F)c(O)c(F)c3)CC2)n1 93562904 OFNADCAZNKBWDB-UHFFFAOYSA-N 349.385 1.849 0 40 EDAB CCS(=O)(=O)N(C)C1CCN(C(=O)CCc2ccccc2)CC1 66843167 ZTMSJHHRCLJERT-UHFFFAOYSA-N 338.473 1.892 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CC 6848037 SIVOGRWWWRVQHT-SNVBAGLBSA-N 348.428 1.743 0 40 EDAB O=C(COCC(=O)Nc1ccccc1)NCc1ccc2c(c1)OCO2 9355376 PJWMGPNSLBALPQ-UHFFFAOYSA-N 342.351 1.687 0 40 EDAB CC(C)c1cc(N2CC[C@H](NS(C)(=O)=O)C2)nc(C(C)C)n1 90093638 IICCWMXYWYFASV-LBPRGKRZSA-N 326.466 1.851 0 40 EDAB Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)s1 67879619 AHEWRORPEWYHQM-RYUDHWBXSA-N 345.490 1.841 0 40 EDAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NC3CCCC3)cc2)C1=O 15842651 VKQHPWPEVXRDQC-NSHDSACASA-N 336.413 1.672 0 40 EDAB O=C(NCCNc1ncccn1)[C@@H]1CSCN1C(=O)C1CCCC1 68421031 RRQSDMCMQATVCA-ZDUSSCGKSA-N 349.460 1.096 0 40 EDAB COCCOc1ncccc1NC(=O)N1CC[C@H](N2CCCC2)C1 71795645 AJCNHNNZSUSQHI-AWEZNQCLSA-N 334.420 1.809 0 40 EDAB CCOC(=O)Nc1ccc(C(=O)NCC(=O)NCc2ccco2)cc1 7954316 OQSRFAROXAGMNH-UHFFFAOYSA-N 345.355 1.894 0 40 EDAB C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 8186109 AVDKCYCHBIBZKS-SSDOTTSWSA-N 345.388 1.297 0 40 EDAB CC(C)=CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 8242068 YNOTYVKZNHOCPW-UHFFFAOYSA-N 344.383 1.764 0 40 EDAB CC(C)[C@@H](C(=O)N1CCCN(c2cccnn2)CC1)n1cncn1 70007996 YFSGVVQAWLUFFM-HNNXBMFYSA-N 329.408 1.004 0 40 EDAB Cc1cnn(C[C@H]2CCCN2Cc2cccc(OCC(N)=O)c2)c1 70039858 FSQSXHFGOZLVKA-MRXNPFEDSA-N 328.416 1.720 0 40 EDAB CN(CCc1ccncc1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 69435804 RDZJVQOBZQUBLC-GFCCVEGCSA-N 329.322 1.493 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)Nc3cc(C(C)C)no3)CCO2)c1 69421312 CYNYYDOBWOUSKV-AWEZNQCLSA-N 347.419 1.642 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)N1CCN(c2ccccc2O)CC1 69441373 GICUCUOLXAGBJA-UHFFFAOYSA-N 343.431 1.888 0 40 EDAB CC(C)[C@@H](C(=O)N[C@H](C)c1nnc2ccccn12)N1CCCC1=O 69582212 OZPOBSXSFWROTH-DOMZBBRYSA-N 329.404 1.554 0 40 EDAB CN1N=C(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)CCC1=O 91764239 JDIGOOZPCAFWBR-YGRLFVJLSA-N 337.326 1.207 0 40 EDAB CCNC(=O)CN(CC)C[C@@H](O)c1ccc(Br)cc1 69631380 IVSQLQHOLKOSQV-CYBMUJFWSA-N 329.238 1.941 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)NCCOc1ccc(F)cc1F 71882768 YPMFKHUNRFJAOM-UHFFFAOYSA-N 347.383 1.817 0 40 EDAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H]1CCS(=O)(=O)C1 17635798 LEHGMHQLIIEEKJ-JTQLQIEISA-N 333.841 1.418 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCc2ccccc2C1 71826926 KWPLXHPIQGGYSS-SFHVURJKSA-N 343.471 1.793 0 40 EDAB CN(C)c1ccc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cn1 71820984 FQMVCKRDLUWZTJ-HNNXBMFYSA-N 330.432 1.526 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCN3CCCC[C@H]3C2)c2ccccc21 71839853 MEBGKXRGFAZHSS-AWEZNQCLSA-N 328.416 1.037 0 40 EDAB Cn1cc(-c2nc(CS(=O)(=O)C[C@H]3CCOC3)cs2)cn1 71841840 GSWGVPCFBCVLGI-JTQLQIEISA-N 327.431 1.495 0 40 EDAB OCCN1CCN(C[C@H](O)c2cccc(Br)c2)CC1 69948339 LSODTQODUQZUHV-AWEZNQCLSA-N 329.238 1.092 0 40 EDAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC3CC3)C2)C1 69901617 ZCTFRADTYSBIIG-JKSUJKDBSA-N 330.432 1.614 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)NCc1cccc(Cl)c1 69919943 DBHLHTUVWYRFKM-HNNXBMFYSA-N 347.850 1.960 0 40 EDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CCCCC1 18249710 HXVPAUAMXHFWNR-UHFFFAOYSA-N 330.432 1.523 0 40 EDAB COc1ccc(OCCC(=O)OCc2nc(N)nc(N(C)C)n2)cc1 8745677 ZAIMPLOLLOVTSA-UHFFFAOYSA-N 347.375 1.041 0 40 EDAB COC(=O)[C@@H](C)N(C(=O)CCc1nc(-c2ccco2)no1)C1CC1 71905543 DAFOYKNFEQYRLN-SNVBAGLBSA-N 333.344 1.815 0 40 EDAB CN(Cc1ccccc1F)C(=O)CN1C(=O)c2ccncc2C1=O 71916341 JTDZKSSAZPYBGE-UHFFFAOYSA-N 327.315 1.475 0 40 EDAB CC(C)c1nnc2n1CCN(CCc1nc3ccccc3c(=O)[nH]1)C2 72268119 LCPMLRQOUZQLPK-UHFFFAOYSA-N 338.415 1.696 0 40 EDAB C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2nccn(C)c2=O)CC1 97378760 YBBHSSYTHOOEMA-LBPRGKRZSA-N 347.444 1.753 0 40 EDAB O=S(=O)(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(Cl)nc1 84429129 LLLVDPLFCYWTAF-GFCCVEGCSA-N 345.852 1.267 0 40 EDAB CCc1c(C(=O)NCCSCC(=O)O)cnn1-c1ccccc1 95425372 CHSYLXNOEYKYFX-UHFFFAOYSA-N 333.413 1.982 0 40 EDAB CC1(C)CN(C(=O)[C@@H](N)CCS(C)(=O)=O)C[C@H]1c1ccccc1 95466877 JTKGIKSJTQESSV-GJZGRUSLSA-N 338.473 1.401 0 40 EDAB Cc1nonc1C(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 95438365 YPUVAFYNKBFEHC-HOTGVXAUSA-N 349.479 1.787 0 40 EDAB CCc1nc(C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c[nH]1 95407364 NRRDAPBESMKJAL-RHSMWYFYSA-N 342.443 1.991 0 40 EDAB Cn1cc(CN2CCN([C@@H](CO)c3cccc(Cl)c3)CC2)cn1 95415882 BFOWBLIKJBANEY-KRWDZBQOSA-N 334.851 1.925 0 40 EDAB CC1(C)[C@H]2CN(C(=O)NCCNC(=O)Cc3cccc(F)c3)C[C@H]21 73942987 YORWRDXBOXUVSQ-GASCZTMLSA-N 333.407 1.782 0 40 EDAB O=C(COc1ccc2c(c1)CCCC2)N1CCOC[C@H]1c1ncon1 95995342 XVTFUHWUXAHGNQ-INIZCTEOSA-N 343.383 1.927 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@H]1COCC(=O)N1Cc1ccccc1 89363654 LTGVIEDOIDWOMN-QGZVFWFLSA-N 339.395 1.468 0 40 EDAB CCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 408555557 XOHZUYRKNFGNGO-STQMWFEESA-N 342.461 1.975 0 40 EDAB Cc1cc(CN2CC3(CC[C@@H](CNc4ncccn4)CO3)C2)n(C)n1 306124001 BCTMYGUEKWMLMI-HNNXBMFYSA-N 342.447 1.612 0 40 EDAB O=C(Nc1ncccn1)[C@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 408739311 ZLEVQOVSFCDULR-UONOGXRCSA-N 342.355 1.187 0 40 EDAB O=C(NCCc1ccsc1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 189003451 QCIGUWDYCIPQFE-JKSUJKDBSA-N 348.468 1.848 0 40 EDAB C[C@H]1C[C@@H](C)O[C@H]1C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1 566287822 QQCYYKQSQJMEQA-FIXISWKDSA-N 334.372 1.643 0 40 EDAB C[C@H]1Cc2c(NC(=O)[C@H]3COc4ccccc4O3)nn(C)c2NC1=O 35597788 QLRJRKXFYFBVFW-TVQRCGJNSA-N 342.355 1.329 0 40 EDAB C[C@@H]1CN=C(N2CCN(Cc3nc(-c4ccncc4)no3)CC2)S1 79497144 HXJQVHVWJGOSPZ-GFCCVEGCSA-N 344.444 1.741 0 40 EDAB C[C@H](N)C(=O)N1CCCC[C@@H]1CN(C)C(=O)OCc1ccccc1 79412802 BNZDRSONGCVXHO-GOEBONIOSA-N 333.432 1.983 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CCNC(=O)c2cnccn2)c1 72405832 FNFGSSFMCYFTMI-UHFFFAOYSA-N 327.344 1.194 0 40 EDAB Cc1nccn1-c1cccc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 72379197 MRIHHBVUOPKQHA-UHFFFAOYSA-N 349.460 1.562 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1 224202306 LCRSSRSVZUFPPS-UHFFFAOYSA-N 332.429 1.864 0 40 EDAB CN(C)c1ccc(S(=O)(=O)N[C@](C)(CO)c2ccccc2)cc1 195580615 VXJCTWBPYLUFNI-QGZVFWFLSA-N 334.441 1.939 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccccc2C)s1 223632179 KFYZTQGTXXCHTG-VIFPVBQESA-N 340.430 1.844 0 40 EDAB CCc1ccccc1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)O)C1 191142376 KSSIMPFNGOHCKD-CQSZACIVSA-N 332.400 1.644 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(O[C@@H]2CCOC2)nc1 225707767 RYAKBOCRTQEANC-CQSZACIVSA-N 342.351 1.908 0 40 EDAB CC[C@H]1CN(C)c2ccccc2CN1C[C@@H](O)CN1CCOCC1 195537891 CHHZILRVZOYUPF-ROUUACIJSA-N 333.476 1.410 0 40 EDAB Cc1nc2sccn2c1CNCC1CCN(S(C)(=O)=O)CC1 96403859 UNBPVIQRGJBBQM-UHFFFAOYSA-N 342.490 1.465 0 40 EDAB CN1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccsc3)O2)CC1 96057503 LFRDLYXCUYTVOO-BRWVUGGUSA-N 349.500 1.644 0 40 EDAB CN(C)CCOC[C@H]1CN(C(=O)C[C@@H]2C=CCC2)Cc2nnn(C)c21 96198533 GRMMASUGZOYRKB-HUUCEWRRSA-N 347.463 1.175 0 40 EDAB O=C(NCc1nnc2n1CCCC2)N[C@H]1CCN(c2ccccc2)C1 96404599 FGSBTFZYDZJGPA-AWEZNQCLSA-N 340.431 1.693 0 40 EDAB CS(=O)(=O)NCc1cncc2c1CCN(Cc1cccs1)C2 96189475 RSULGGBKCXLUHZ-UHFFFAOYSA-N 337.470 1.751 0 40 EDAB Cc1cnc(C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)cn1 96410218 SHMMFDOYDVGASH-HNNXBMFYSA-N 340.431 1.121 0 40 EDAB Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc([C@H]2CCCO2)nn1C 333057782 RUKAENPKDUXQFD-DGCLKSJQSA-N 345.407 1.828 0 40 EDAB CN1CCN(c2ncnc3c2CCN(C(=O)C2CC=CC2)CC3)CC1 96187697 AOOOZOTWDYAFOI-UHFFFAOYSA-N 341.459 1.122 0 40 EDAB Cc1cc(CNC(=O)N2CC[C@H](C(=O)O)C2)nc(N2CCCC2)n1 1594303903 FESXIYJYWVJDHV-LBPRGKRZSA-N 333.392 1.001 0 40 EDAB Cc1nc(CN2C[C@@]3(CCN(C(=O)NC(C)C)C3)CC2=O)cs1 96239385 KMUMOVXXEVMHKM-INIZCTEOSA-N 336.461 1.994 0 40 EDAB Cc1ccc(N[C@@H]2CO[C@@]3(CCCN(Cc4cnn(C)c4)C3)C2)nn1 96048449 PLTNSDAAPSNWPM-WMZOPIPTSA-N 342.447 1.754 0 40 EDAB c1cc(CN2CCO[C@@H]3CN(C4CCOCC4)CC[C@@H]3C2)ccn1 96249721 KNIICJKYSKMUAG-IEBWSBKVSA-N 331.460 1.783 0 40 EDAB O=C1NCCN(Cc2ccccc2)C12CCN([C@H]1CCOC1)CC2 96230236 WQSAXAKGHWUVDD-KRWDZBQOSA-N 329.444 1.242 0 40 EDAB O=C1CC[C@@H](NS(=O)(=O)Cc2ccccc2C(F)(F)F)CN1 96407709 AEBSXLKPQPNSCF-SNVBAGLBSA-N 336.335 1.403 0 40 EDAB Cn1cc(CN2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)cn1 96108948 PCOQPJRDNPRFJW-QZTJIDSGSA-N 328.416 1.480 0 40 EDAB Cc1cc(C(=O)N2CCn3cc(CNc4ccccn4)nc3C2)no1 96068059 LDLLONADQLUWRE-UHFFFAOYSA-N 338.371 1.843 0 40 EDAB CC(C)N1CC2(CCN(S(C)(=O)=O)CC2)C[C@H]1COCC1CC1 96207075 MEMVXHOJDORIHH-INIZCTEOSA-N 344.521 1.938 0 40 EDAB CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCc4ccccc4)C[C@@H]32)C(=O)N1C 96261408 FSMYUIQQCFGETM-JTDSTZFVSA-N 340.427 1.867 0 40 EDAB COc1cc2cnn(CC(=O)NCCC(C)C)c(=O)c2cc1OC 94993070 PLOIRHYTWTZKPL-UHFFFAOYSA-N 333.388 1.576 0 40 EDAB COc1cc(C(=O)NCCN2CCCCCC2=O)cc2c1OCCO2 32308723 XKTQBDCPGJBADS-UHFFFAOYSA-N 348.399 1.599 0 40 EDAB Nc1nc(-n2ncnc2N)n(C(c2ccccc2)c2ccccc2)n1 95116176 KTYISQHWJANHBE-UHFFFAOYSA-N 332.371 1.661 0 40 EDAB CS(=O)(=O)N1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 96160059 BJIBZBWMBKCPAQ-GOEBONIOSA-N 340.445 1.429 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)nn1-c1ccccc1 96452999 CGOUHJCYHMZZOI-CABCVRRESA-N 326.400 1.955 0 40 EDAB Cc1ccc(CN2CC3(C[C@@H](OCC(=O)N(C)C)CCO3)C2)s1 247972401 HXAPNDAEROTMSQ-AWEZNQCLSA-N 338.473 1.895 0 40 EDAB Cn1cccc1C(=O)N1Cc2ccnn2C[C@@H](COCC2CC2)C1 248089105 BXXMIOIDMYZTHJ-HNNXBMFYSA-N 328.416 1.920 0 40 EDAB O=S(=O)(NC[C@H]1CCC2(CN(Cc3ccoc3)C2)OC1)C1CC1 247308431 HNVKISINWMMGMC-CYBMUJFWSA-N 340.445 1.342 0 40 EDAB Cc1nc(CO[C@@H]2CSC3(C2)CN(S(C)(=O)=O)C3)cs1 248023910 JYBOUFKMHYYPFB-NSHDSACASA-N 334.488 1.488 0 40 EDAB Cc1cc2nc([C@H]3CCCCN3C(=O)Cn3cccn3)cc(O)n2n1 257323589 WKZRVMFPXUTOMS-CQSZACIVSA-N 340.387 1.694 0 40 EDAB COc1cccc(S(=O)(=O)NC(=O)/C=C(\C)c2ccncc2)c1 584907904 IDZZQVMBWQWFAD-ZRDIBKRKSA-N 332.381 1.999 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cnn3ccccc23)C1 585130910 FYBFVTVGJJBIEX-GFCCVEGCSA-N 336.417 1.335 0 40 EDAB COc1ccc2nnc(CNC(=O)c3ccc4ncsc4c3)n2n1 253409203 ZUSKTSSDOLMBNQ-UHFFFAOYSA-N 340.368 1.673 0 40 EDAB CN(CC(=O)N1CCCC1)C(=O)Cc1csc(-c2ncccn2)n1 63682247 DKFUACWPCUQXRF-UHFFFAOYSA-N 345.428 1.223 0 40 EDAB CCn1cc(C(=O)N2CCC3(CC2)CN(C(C)=O)[C@](C)(CO)C3)cn1 257270166 MTAOVLZBLYFAIO-KRWDZBQOSA-N 348.447 1.129 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)c2ccsc2)C1 257208895 BNZWCLLRIHKTPA-SECBINFHSA-N 325.415 1.504 0 40 EDAB C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccnn1CCc1ccccc1 621243218 PPBBUIWCQLVRIL-LBPRGKRZSA-N 337.401 1.219 0 40 EDAB O=C(NCc1cocn1)N1CCN(c2nc3ccccc3o2)CC1 606502377 NHEMZWLWGVXVKD-UHFFFAOYSA-N 327.344 1.848 0 40 EDAB Cc1cc(N2CCC[C@H](Nc3ccnc(N(C)C)n3)C2=O)n(C)n1 608097533 MRKQWQWDUSITII-LBPRGKRZSA-N 329.408 1.192 0 40 EDAB O=c1ccccn1CCN1CCN(c2cc(C(F)F)ncn2)CC1 1614998284 QSYMJPIQYRQMQM-UHFFFAOYSA-N 335.358 1.398 0 40 EDAB C[C@@H]1OC2(CCN(C(=O)NCc3ccccc3Cl)CC2)NC1=O 1615591797 SRWMMHORNSDDHB-NSHDSACASA-N 337.807 1.877 0 40 EDAB N[C@@H]1C[C@@H]2C[C@@H](C(=O)N3CCn4cnc(C(F)(F)F)c4C3)C[C@@H]21 1615549633 WLKMQDBDSZRQIT-ZRUFSTJUSA-N 328.338 1.618 0 40 EDAB C[C@@H](N)[C@H]1CCCCN1C(=O)CCc1nncn1-c1ccccc1 1615562096 OAHBBIQGMXLJFM-GDBMZVCRSA-N 327.432 1.928 0 40 EDAB Cc1nc(C)c(CCNS(=O)(=O)[C@@H](C)C(=O)OC(C)(C)C)s1 1615613247 GZUNPIDSQZQLBI-JTQLQIEISA-N 348.490 1.952 0 40 EDAB O=C(Cc1cccc(Br)c1)N1C[C@@H](CO)C[C@@H]1CO 1615604915 FXRBFHGGHVPPDG-WCQYABFASA-N 328.206 1.193 0 40 EDAB O=C(NCC(=O)N1CCC(n2ccnc2)CC1)c1cc(F)cc(F)c1 69383821 YJMWSFOUQSNHFI-UHFFFAOYSA-N 348.353 1.755 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 33209523 FJIALCNKCIJHKL-MLGOLLRUSA-N 340.383 1.447 0 40 EDAB CCOc1ccc(NC(=O)C(F)(F)F)cc1S(=O)(=O)N(C)C 58194329 MYRGALWRLFIRRN-UHFFFAOYSA-N 340.323 1.836 0 40 EDAB Cc1ccc([C@@H](CNC(=O)[C@H](C)S(=O)(=O)C(C)C)N(C)C)cc1 58379953 ACJXCDKCGPSURS-GOEBONIOSA-N 340.489 1.926 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)COCc3ccccc3)CCO2)n1 76045028 AKEPCICPFBOQOA-BBRMVZONSA-N 344.415 1.866 0 40 EDAB CC1CCN([C@@H](C)CNC(=O)N2CCN(c3cnn(C)c3)CC2)CC1 74867600 YEDPPXVYSNQEBG-INIZCTEOSA-N 348.495 1.372 0 40 EDAB O=S(=O)(CCc1ccccc1)N1CCCN([C@@H]2CCOC2)CC1 1565522072 AXCAJMCZAQVCTP-QGZVFWFLSA-N 338.473 1.356 0 40 EDAB CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(OC)ns1 585114143 JJXNAQWERPJOKW-NSHDSACASA-N 335.385 1.451 0 40 EDAB O=C(N1CCOCC1)N1CC(Cn2cc(Br)cn2)C1 1889138978 BGAWLRDOZOPJRS-UHFFFAOYSA-N 329.198 1.030 0 40 EDAB CC(C)(C)NC(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 12146272 ZNPGHGJBHIAXRX-CQSZACIVSA-N 329.400 1.553 0 40 EDAB CC(=O)c1sc(C2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)nc1C 12750367 PRFYZFKMXCPCND-ZDUSSCGKSA-N 349.456 1.838 0 40 EDAB CC1CCN(c2nc([C@H](C)NC(=O)c3cnccn3)cc(=O)[nH]2)CC1 19497024 OUBLDEYJCBHTJV-LBPRGKRZSA-N 342.403 1.287 0 40 EDAB CS(=O)(=O)c1snnc1[C@H]1CCCN(Cc2ccncc2)C1 19573273 UEGARQJEOHNWEF-LBPRGKRZSA-N 338.458 1.716 0 40 EDAB COC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930758 ILSUYDLPLNPLLN-LBPRGKRZSA-N 340.445 1.211 0 40 EDAB CCc1nc(CN2CCN(C(=O)COCc3ccccc3)CC2)no1 78777130 AJPBYTXMNDGVOX-UHFFFAOYSA-N 344.415 1.493 0 40 EDAB COC(=O)[C@H]1CCn2c(nnc2-c2cccc(S(C)(=O)=O)c2)C1 601045508 VVHVXTUEAIZOQQ-NSHDSACASA-N 335.385 1.084 0 40 EDAB C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(N2CCC(O)CC2)cc1 580693535 VAJRJPNFKWTDTM-BLLLJJGKSA-N 331.416 1.045 0 40 EDAB O=S(=O)(C1CC1)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888854031 WYNUMGFTHYSMBS-BETUJISGSA-N 334.445 1.214 0 40 EDAB CN(C)c1ccnc(N2CCN(c3cnc4ccccc4n3)CC2)n1 1889149467 SXNNZIQQHRRTTM-UHFFFAOYSA-N 335.415 1.812 0 40 EDAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)O 5322394 CMZUWIZPTIOFJA-RISCZKNCSA-N 348.399 1.938 0 40 EDAB CCN(CC)C(=O)CN1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037909161 ZCOKVAQJUQNHIX-SFHVURJKSA-N 338.423 1.900 0 40 EDAB CC(C)N1C[C@@]2(CCN(C(=O)c3ccc(F)cc3)C2)COCC1=O 2037984825 OXFVQOVWXGFRHO-SFHVURJKSA-N 334.391 1.925 0 40 EDAB O=S(=O)(c1cccc(Cl)c1)N1CCCN([C@H]2CCOC2)CC1 1565522407 PFLMXEVRTULIDI-AWEZNQCLSA-N 344.864 1.825 0 40 EDAB CC1CC(C(=O)N2CC[C@H]3CN(C4CCOCC4)CCO[C@H]3C2)C1 1565547850 SQXJZFQBDKUYEU-OQGULXLBSA-N 336.476 1.761 0 40 EDAB O=C(c1cccc(F)c1)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 1565543211 SJJLCMROBJWAMM-ROUUACIJSA-N 341.386 1.946 0 40 EDAB Nn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nncc1=O 4338139 LTEDRFKVPALGBS-UHFFFAOYSA-N 345.306 1.102 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@@]2(COCCN(c3nccs3)C2)C1 2055750624 KRANFPPXYNOIPH-MRXNPFEDSA-N 347.444 1.625 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CC(Oc3nccs3)C2)c1 218795465 QJYZIUPTYDMCTP-UHFFFAOYSA-N 338.410 1.798 0 40 EDAB O=C(NCC1CCN(C2CCCC2)CC1)C(=O)Nc1cccnc1 49509350 QXFNNKQJBHBUQG-UHFFFAOYSA-N 330.432 1.791 0 40 EDAB Cc1nc(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)cs1 225781980 VMQYPXPSZSQRGD-UHFFFAOYSA-N 344.371 1.797 0 40 EDAB O=c1c2cnn(CCO)c2ncn1Cc1ccc(Cl)cc1Cl 4940571 RGSDPBCAZCOKRM-UHFFFAOYSA-N 339.182 1.940 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CCCCCC1 5062409 GUNVKLMURUWGIC-UHFFFAOYSA-N 326.418 1.795 0 40 EDAB C[C@@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 40005249 AEHBNUMTPYMOML-OLZOCXBDSA-N 346.412 1.393 0 40 EDAB Nc1ccccc1C(=O)NCCN1CCN(Cc2ccccc2)CC1 20032088 KAUQREHXXDVYKW-UHFFFAOYSA-N 338.455 1.816 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCCc1ccccc1 31052255 YABSEAOHMRDACN-OAHLLOKOSA-N 339.461 1.342 0 40 EDAB O=S(=O)(NCCCOC[C@H]1CCCO1)c1ccc2c(c1)CCO2 40468874 AKSSBDRLQANWAJ-CQSZACIVSA-N 341.429 1.486 0 40 EDAB COc1ccc([C@H](C)NC(=O)Cn2cnnn2)cc1Br 40466630 DFYZCPBEMOYZOT-QMMMGPOBSA-N 340.181 1.322 0 40 EDAB Cc1c(C(=O)NCC(C)(C)N2CCOCC2)[nH]c2c1C(=O)CCC2 40460885 VWYMMZVJZBJNDG-UHFFFAOYSA-N 333.432 1.683 0 40 EDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@H]1CCCO1 40540113 IGHDNFMKSHZFEE-HUUCEWRRSA-N 333.367 1.200 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1ccc(Cn2cccn2)o1 101178325 PZSRFTCCHLVPKL-RKLWJJNISA-N 343.383 1.842 0 40 EDAB COCCCNC(=O)c1nc(COc2ccc3c(c2)OCO3)no1 20720616 CAORJXQFVGLUKO-UHFFFAOYSA-N 335.316 1.144 0 40 EDAB C[C@H]1CN(C(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)C[C@@H](C)O1 51991842 GTTQLZASBNOHFQ-TXEJJXNPSA-N 344.419 1.205 0 40 EDAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc(S(C)(=O)=O)cc1 101715881 RSXZGMOWHDTFHV-LLVKDONJSA-N 335.381 1.283 0 40 EDAB Cc1nc(SCC(=O)N2CCC[C@@H](C)C2)sc1CC(N)=O 32871319 NINYVDMJFWJHFA-SECBINFHSA-N 327.475 1.830 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 32800670 QFVWJYFUQAYIKR-UHFFFAOYSA-N 347.321 1.251 0 40 EDAB C[C@@H]1NC(C(=O)NC(C2CC2)C2CC2)=NN(c2ccccc2)C1=O 32952519 CYPAPBCNCYOHNR-NSHDSACASA-N 326.400 1.630 0 40 EDAB NC(=O)CN(CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCCC1 52826566 MBOWIJOCAZBKKF-NWDGAFQWSA-N 349.397 1.954 0 40 EDAB CC[C@@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccc(C)c(C)c1 41606177 ZSSSEERYPYEWEB-LLVKDONJSA-N 334.401 1.997 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N1CCN(c2ccccc2O)CC1 47028606 GUMRZPPMLBITSH-AWEZNQCLSA-N 329.404 1.509 0 40 EDAB CCOC(=O)COn1c(=O)c(-c2cccs2)[n+]([O-])c2ccccc21 499792 VUHZMDBVQNBNIK-UHFFFAOYSA-N 346.364 1.355 0 40 EDAB O=C(CN1CCN(c2ncc(Cl)cc2F)CC1)N1CCCC1 75105888 PBGNWYZCAKKVDH-UHFFFAOYSA-N 326.803 1.619 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)no1 76043862 HFSXUJPYYIVDRU-CQSZACIVSA-N 326.356 1.698 0 40 EDAB O=S(=O)(NCC1(O)CSCCSC1)c1ccccc1F 1888876042 FNCRZIHODGCWLQ-UHFFFAOYSA-N 337.463 1.315 0 40 EDAB Cc1ccc(-n2c3c(cc(C(=O)NCCO)c2=O)C(=O)CCC3)cc1 2809787 NNFROJRCYCPSLV-UHFFFAOYSA-N 340.379 1.387 0 40 EDAB CNC(=O)NC(=O)CN1CCN(Cc2cccc3ccccc23)CC1 23249029 FOHGJYCGTNXZQC-UHFFFAOYSA-N 340.427 1.413 0 40 EDAB COc1ccc(OC[C@@H](O)Cn2c(CO)nc3ccccc32)cc1 4906818 GDDPOVCKMSHFFS-ZDUSSCGKSA-N 328.368 1.977 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCc1ccc(Cl)nc1 97601808 CJXRTZUJERJBIJ-TXEJJXNPSA-N 336.775 1.953 0 40 EDAB Cc1cccc(N2CCN(CCNC(=O)Cc3cc(C)on3)CC2)c1 72886176 WPJFJVHECSEBRL-UHFFFAOYSA-N 342.443 1.772 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCCNc2ccccn2)[C@H]1c1cccs1 95399509 CUSVLZTXHUULDG-LRDDRELGSA-N 344.440 1.891 0 40 EDAB CS(=O)(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 8195576 KIEGOTOGYUTSCD-UHFFFAOYSA-N 332.447 1.623 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2cc3c(s2)CCCCC3)CC1 25231583 LKCWXWPHHPCPIX-UHFFFAOYSA-N 349.500 1.957 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 55734144 SHTZPRUPVPTOAV-ZIAGYGMSSA-N 342.848 1.868 0 40 EDAB COc1ccc(CCNC(=O)C(=O)NCc2cccc(OC)c2)cc1 9991772 XXCPBKUYRJDTQA-UHFFFAOYSA-N 342.395 1.679 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1c1nc2ccccc2[nH]1 48264358 LYCNBHXICBZCCF-FZMZJTMJSA-N 333.413 1.661 0 40 EDAB COc1cc(N[C@@H](C)C(=O)N2CCOCC2)ccc1N1CCCC1=O 10184869 DSICSCWBEVQJDO-ZDUSSCGKSA-N 347.415 1.481 0 40 EDAB COc1ccc(CNC(=O)NC[C@@H](O)COCC2CC2)cc1OC 58217706 LHWMGNDJVDTETP-CQSZACIVSA-N 338.404 1.291 0 40 EDAB CN(C)C1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 44934954 CWAIBVPXDFMAOH-UHFFFAOYSA-N 340.427 1.458 0 40 EDAB CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1cccc3c1OCCO3)CCO2 107720513 NQVLJYYBYGNZPV-FRFSOERESA-N 333.384 1.866 0 40 EDAB C[C@@H](O)CN(CC(=O)Nc1sccc1C(N)=O)c1ccccc1 58331984 GBYXZTQPQUSTEQ-LLVKDONJSA-N 333.413 1.673 0 40 EDAB CCOc1ccc2c(c1)CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)CC2 58342970 ILJZTCJTZLJBHH-ZDUSSCGKSA-N 337.441 1.795 0 40 EDAB COCCNC(=O)[C@H]1CCC[C@]12CCN(Cc1cn(C)nc1C)C2 108531965 SYBDUMTWVVUHHZ-SJLPKXTDSA-N 334.464 1.483 0 40 EDAB Cn1nc(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)ccc1=O 58158161 QWKHCMCFWYOEIX-UHFFFAOYSA-N 348.790 1.582 0 40 EDAB COC[C@@H](C)N(C)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 48342201 SBWJVTYCNVZYIY-GFCCVEGCSA-N 340.445 1.506 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ncc(Cl)n1C 28727695 ZKOQHSSYMHNPRD-SNVBAGLBSA-N 342.852 1.914 0 40 EDAB CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCCO[C@@H](C)C2)ncn1 173416976 OYHZPHAMGYFJTN-UONOGXRCSA-N 348.451 1.308 0 40 EDAB Cc1nn(CN(C)Cc2ccc(C(N)=O)cc2)c(=O)c2ccccc12 29887792 ZMNHPGUYBHGRQI-UHFFFAOYSA-N 336.395 1.893 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2Cl)c1=O 5000056 AOVMREGKSRDEOO-UHFFFAOYSA-N 343.770 1.992 0 40 EDAB CNC(=O)[C@H](C)CN(C)C(=O)NC[C@@H](c1cccs1)N(C)C 95406618 FHNBPKBFGTYXDW-NEPJUHHUSA-N 326.466 1.374 0 40 EDAB O=C(NC[C@H]1CCN(C2CC2)C1)c1cccnc1N1CCOCC1 65452827 ZOOCFSQCWQAUMP-CQSZACIVSA-N 330.432 1.132 0 40 EDAB CN(CCN1CCOCC1)C(=O)c1cccc(N2CCCC2=O)c1 65499288 ISQWGURBCSZDKM-UHFFFAOYSA-N 331.416 1.218 0 40 EDAB CCc1noc(CN2CCC(C(=O)Nc3cnn(CC)c3)CC2)n1 65554237 DDFBPWOSGZNJJV-UHFFFAOYSA-N 332.408 1.699 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)Nc3cccc4[nH]ncc34)cc12 65552104 YASAPCPJKIKPPL-UHFFFAOYSA-N 342.384 1.954 0 40 EDAB Cc1cccc(-c2nc(C)nn2CN2CCN(S(C)(=O)=O)CC2)c1 65595444 UUYQRGROTDPBEW-UHFFFAOYSA-N 349.460 1.097 0 40 EDAB COc1cccc2c1OC[C@H](NC(=O)C(=O)Nc1cccc(F)c1)C2 65620994 FBVMZEITZVVDBM-CQSZACIVSA-N 344.342 1.893 0 40 EDAB Cn1c(=O)c2c(nc3scc(COc4ccccc4)n32)n(C)c1=O 4625178 OKIJYVVTOPXQHD-UHFFFAOYSA-N 342.380 1.525 0 40 EDAB Cc1noc(C)c1CC(=O)Nc1ccc(N2CCN(C)CC2)nc1 14520787 KUNWPZNGCUMEJZ-UHFFFAOYSA-N 329.404 1.619 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CNc2ccccc2C(N)=O)cc1 66209281 SIBLMHQKMKAUTQ-UHFFFAOYSA-N 326.356 1.795 0 40 EDAB CCOC(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 67471833 ZKQVXEPYKHOKCP-IRXDYDNUSA-N 346.427 1.614 0 40 EDAB O=C([C@@H]1CCCN1C(=O)CCc1cccnc1)N1CCSCC1 71898246 DNCXCGWTPITIKT-HNNXBMFYSA-N 333.457 1.581 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(Cc2cccc3c2OCCO3)C1 68270818 HPQKIJNFFQPGNC-ZDUSSCGKSA-N 340.445 1.219 0 40 EDAB O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc2ccccc2n1 81088208 MLUNOGHLPLAMHX-KRWDZBQOSA-N 339.395 1.745 0 40 EDAB COCCNS(=O)(=O)c1cnn(-c2cc(Cl)ccc2OC)c1 71921661 TVOTVCWEHXFKFU-UHFFFAOYSA-N 345.808 1.459 0 40 EDAB O=C1C[C@H](C(=O)N2CCCC[C@H]2Cn2cccn2)CN1CC1CC1 70038639 MYMAFQAWHXZGCX-HOTGVXAUSA-N 330.432 1.523 0 40 EDAB COc1ccnc(N2CCN(C(=O)C[C@@H](C)n3cccc3)CC2)n1 69348518 DJYPRUIPSZCYTJ-CQSZACIVSA-N 329.404 1.587 0 40 EDAB Cc1cc(C)n(C[C@H]2CN([C@@H](C)C(=O)NCc3ccco3)CCO2)n1 69441342 QYDYHFKTXJRXFU-DOTOQJQBSA-N 346.431 1.499 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ncn(Cc3cccnc3)n2)cc1F 69581751 BTFFQEIHAJUONS-UHFFFAOYSA-N 347.375 1.970 0 40 EDAB Cn1c(C(=O)NCCCN2CCC[C@H]2C(N)=O)cc(Cl)c1Cl 69622871 ZPSFZLRAWFHBCJ-JTQLQIEISA-N 347.246 1.402 0 40 EDAB COCc1c(C(=O)N[C@H](C)CN2CCN(C)CC2)oc2ccccc12 69620273 ATDFVSVNIXWVAE-CQSZACIVSA-N 345.443 1.945 0 40 EDAB CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)C1 69973687 ICCVEVNBVROBES-LLVKDONJSA-N 341.433 1.997 0 40 EDAB CNc1nnc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)s1 18588093 FSOVYEAGFYEVAD-RXMQYKEDSA-N 343.459 1.860 0 40 EDAB Cc1csc([C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)n1 72298953 RHVZWAQKDAPDAT-MNOVXSKESA-N 336.417 1.146 0 40 EDAB COCc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)Cn2cncn2)o1 97148085 YIJUPOKYWMQISG-GXTWGEPZSA-N 333.392 1.953 0 40 EDAB O=S(=O)(CC[C@H]1CCCO1)NCc1cccc(-n2cccn2)c1 89780888 MGWHMGYSYIHWLJ-MRXNPFEDSA-N 335.429 1.861 0 40 EDAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)on1 95954238 WKMVULWYYZVFEG-OLZOCXBDSA-N 341.433 1.318 0 40 EDAB Cc1ccc(O)c(NC(=O)[C@]2(N(C)C)COc3ccccc3C2)n1 1548696757 GUFXCDACKUVAQQ-GOSISDBHSA-N 327.384 1.970 0 40 EDAB CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)O1 306125469 CSBXZYNJDVZDME-KDOFPFPSSA-N 349.431 1.504 0 40 EDAB C[C@@H](COc1ccc(F)cc1)NC(=O)N(C)[C@H](C)CS(C)(=O)=O 69931514 YDKMSBCSIAPPRY-NWDGAFQWSA-N 346.424 1.668 0 40 EDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2ncnc3[nH]cnc23)C1 548334560 VACUXPNXXTZFAI-OAHLLOKOSA-N 343.416 1.360 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCOC)cc1NC(=O)CC 408697273 IJLCWVJZSRXTDU-UHFFFAOYSA-N 330.406 1.359 0 40 EDAB O=C(c1cccc(Cl)c1)N1CCN(c2ncnc3[nH]cnc23)CC1 30819305 BCYGKKTYJLUTIR-UHFFFAOYSA-N 342.790 1.969 0 40 EDAB Cn1cnc([C@@H]2CN(C(=O)NCCc3cccc(F)c3)C[C@H]2N)c1 1553418240 HVGISOPFIVYOMC-HUUCEWRRSA-N 331.395 1.238 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)S1 73118973 HSKNCBHPAPHZSC-ZDUSSCGKSA-N 343.456 1.672 0 40 EDAB O=C(NCc1cccs1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 42759542 IDSRTKUWPCESPG-HIFRSBDPSA-N 339.461 1.285 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCCCCC1 71798328 QCGYJGSFIBYBQG-UHFFFAOYSA-N 326.418 1.749 0 40 EDAB C[C@H](NC(=O)C[C@H](C)Cc1cccc(F)c1)C(=O)N1CCOCC1 73118554 HTYIXJCBLVWRPA-KGLIPLIRSA-N 336.407 1.758 0 40 EDAB COCC(=O)N1CC(c2nc(C)cc(Nc3nc(C)cc(C)n3)n2)C1 72382509 BUFRKJOEDDBANV-UHFFFAOYSA-N 342.403 1.508 0 40 EDAB CCOC(=O)C1CCN(Cc2ccnc(N3CCOCC3)n2)CC1 72348173 RCPMGUWWWKSKPB-UHFFFAOYSA-N 334.420 1.088 0 40 EDAB COc1ccc(CNS(=O)(=O)c2cnn(C(C)C)c2)cc1OC 72239306 IPWOJFXBFJWIQB-UHFFFAOYSA-N 339.417 1.960 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)s1 224076163 CPBVWJRXOQYWNM-IWSPIJDZSA-N 330.435 1.354 0 40 EDAB O=C(NCCc1cncnc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 225589456 CCNMEAVSHPGBHW-ZDUSSCGKSA-N 328.347 1.328 0 40 EDAB COc1cc2nc(CN3CCN(C)C[C@@H]3C)[nH]c(=O)c2cc1OC 89939260 MAPYTUGKKWNNOZ-NSHDSACASA-N 332.404 1.076 0 40 EDAB Cc1noc([C@@H]2CCCCN2S(=O)(=O)c2c(C)noc2C)n1 41122684 CFSNVPGXGPGNLX-NSHDSACASA-N 326.378 1.899 0 40 EDAB CCn1nccc1C1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 329069374 MWFDWHKXTJRXOI-CQSZACIVSA-N 328.420 1.463 0 40 EDAB C[C@@H](O)CNC(=O)c1ccc(=O)n(-c2cccc(C(F)(F)F)c2)c1 223329440 SSZVPOMLYHGXDK-SNVBAGLBSA-N 340.301 1.967 0 40 EDAB Cn1cccc1-c1noc(CNC(=O)c2cnn(-c3ccccc3)n2)n1 225764768 DQYKWCRHQNGHCS-UHFFFAOYSA-N 349.354 1.586 0 40 EDAB COC(=O)CCC(=O)c1cn2ncc(-c3ccc(OC)cc3)c2nn1 226075478 WOHAFVPUBHJWCR-UHFFFAOYSA-N 340.339 1.936 0 40 EDAB O=C(O)c1cccc(-n2nc([C@H]3CCOC3)nc2-c2ncc[nH]2)c1 97551472 AXTYJZWEEAMKIV-NSHDSACASA-N 325.328 1.860 0 40 EDAB Cc1cccc(CN2CCn3c(CNC(=O)C4CC4)cnc3C2)n1 96201176 HDJYZGZSYWIIDX-UHFFFAOYSA-N 325.416 1.629 0 40 EDAB COCCN(Cc1ccc2c(c1)OCO2)C(=O)NC1CCOCC1 96405571 LFANQRDCRRWVRF-UHFFFAOYSA-N 336.388 1.752 0 40 EDAB CCCC[C@H](NC(=O)c1cc(Cl)cn1C)[C@H](O)C(=O)NC1CC1 585079789 PGWCGKXKSBKBLY-JSGCOSHPSA-N 341.839 1.607 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)CCO1 583650624 SRWKGZSXKOVYIC-AWEZNQCLSA-N 332.356 1.129 0 40 EDAB CCn1ccnc1CN(Cc1cncnc1)[C@H]1CC12CCNCC2 583621907 PRXRVFCURCUCQC-INIZCTEOSA-N 326.448 1.837 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)CN2CCCC2=O)cc1 583616072 JEDKIVWEJKWPGW-QFBILLFUSA-N 346.427 1.516 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@H]1[C@H]1CCCN1C(C)=O 583621865 GMVWXSYGRVZCBJ-OQSOEKIESA-N 347.463 1.129 0 40 EDAB COC[C@H]1CN(c2cncc(-n3nc(C)cc3C)n2)CC(C)(C)O1 583616847 YHSHUKRPPNNEKU-CQSZACIVSA-N 331.420 1.909 0 40 EDAB COC[C@]12COC[C@H]1CN(S(=O)(=O)c1ccc(OC)c(F)c1)C2 96208803 NGJGSGHCTNQASJ-IAQYHMDHSA-N 345.392 1.118 0 40 EDAB Cc1cc(C)cc(C[C@@H](C)NC(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 96437688 FYMVVWXGLKULKU-CABCVRRESA-N 338.473 1.968 0 40 EDAB Cn1ccnc1CN1CC[C@@H](N2CCOCC2)[C@@H]1Cc1cccnc1 96070033 JDFDNWHZBYRTOR-MSOLQXFVSA-N 341.459 1.333 0 40 EDAB Cn1cc(C(=O)NCc2cn3c(n2)CN(Cc2ccco2)CC3)cn1 96197447 HKKRUNXFSXGGTN-UHFFFAOYSA-N 340.387 1.155 0 40 EDAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@H](Oc1ccccn1)CO2 96107016 HPGPOLVEEPGLCU-AWEZNQCLSA-N 342.399 1.658 0 40 EDAB Cn1nc(CC(=O)NCc2nc3ccccc3[nH]2)c2ccccc2c1=O 96117377 ZDDPQZGVILQCLU-UHFFFAOYSA-N 347.378 1.669 0 40 EDAB Cc1nc(CN2CCC[C@]3(CCCN3S(C)(=O)=O)C2)cs1 96071556 WIXVVFFKDOEJKK-AWEZNQCLSA-N 329.491 1.842 0 40 EDAB CC[C@H](NC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1)[C@H](O)C(C)C 585132160 POWSHMFANOVSDR-TTZDDIAXSA-N 329.437 1.599 0 40 EDAB COC(=O)Cc1sccc1C(=O)N1CCC[C@@H](C2OCCO2)C1 585135467 LICXNRJSPBDBLU-LLVKDONJSA-N 339.413 1.689 0 40 EDAB CS(=O)(=O)N(CC(=O)N1CCCCCC1)Cc1ccc(F)cc1 243080338 IQJKWDFTJNWTFQ-UHFFFAOYSA-N 342.436 1.990 0 40 EDAB CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccc4[nH]ccc34)C[C@@H]21 247502075 FTLLIAVMTYZRIY-FRFSOERESA-N 349.456 1.164 0 40 EDAB CN(C)CC[C@H]1CN(C(=O)COC2CCCC2)Cc2ccnn2C1 248089950 FJMKXZRMWYUIMY-HNNXBMFYSA-N 334.464 1.752 0 40 EDAB Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCN(C)[C@@H](C(N)=O)C1 257241560 HYNSKGMLVWLAHQ-OAHLLOKOSA-N 348.834 1.300 0 40 EDAB Cc1nccc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)n1 257222198 DSIQEQIVMATGQH-UHFFFAOYSA-N 340.431 1.389 0 40 EDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1 253478823 NGCCPQFIVDFBDY-LBPRGKRZSA-N 333.417 1.762 0 40 EDAB N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCC(F)(F)CC1 257220471 DKYPNGHPBAKWCX-RZFFKMDDSA-N 330.350 1.765 0 40 EDAB O=C(NC[C@]1(O)CCN(c2ncccn2)C1)c1cc2c(s1)CCC2 257200748 AETCJZWAFRKDSM-QGZVFWFLSA-N 344.440 1.398 0 40 EDAB CN(C(=O)Cc1cccc(F)c1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257314425 UWXALBFJXSNYPH-JFIYKMOQSA-N 336.407 1.051 0 40 EDAB Cc1cccc(N2CCC[C@H](NC(=O)C(C)(C)n3cncn3)C2)n1 257205437 AZAUCSFRDZOJMG-AWEZNQCLSA-N 328.420 1.502 0 40 EDAB Cc1cnc(C(=O)N2CCO[C@H](CCc3cc(C)ncn3)C2)cn1 257287139 PORKLYDIGZSVTH-OAHLLOKOSA-N 327.388 1.357 0 40 EDAB Cc1onc(C(C)C)c1C(=O)NC[C@]1(O)CCN(c2ncccn2)C1 257216492 CUSKCWWBZSJQNT-QGZVFWFLSA-N 345.403 1.268 0 40 EDAB COc1ccccc1[C@H]1CN(S(=O)(=O)N2CCCC2)CCN1C 257227241 FOGXTWWYJKGYQT-OAHLLOKOSA-N 339.461 1.324 0 40 EDAB COc1cc(CNC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)ccc1C 279541476 NIZVYPONSDWQDM-IBGZPJMESA-N 344.411 1.541 0 40 EDAB CN1CCn2nc(NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)cc2C1=O 1615549072 JGWDIBPUKWKNHV-QWHCGFSZSA-N 343.362 1.785 0 40 EDAB Cc1nc(NC(=O)[C@H](C)N[C@H](C(N)=O)c2ccccc2)sc1C 1615588028 BKDBYELRQJOAIT-GWCFXTLKSA-N 332.429 1.903 0 40 EDAB COc1ccc(CCS(=O)(=O)NC[C@@]2(OC)CCSC2)cc1 96097688 LGEOAVBWTSPBNW-HNNXBMFYSA-N 345.486 1.679 0 40 EDAB CCc1nc([C@@H](C)NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)cs1 292353467 QWVQYHCFQFLDMJ-MNOVXSKESA-N 345.490 1.843 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)OCc1cccnc1 390828402 AWBNIJWLNLLZKP-CYBMUJFWSA-N 339.359 1.024 0 40 EDAB COC(=O)C[C@H](NC(=O)c1ccc(Cl)c(N)c1Cl)C(=O)OC 390834355 WYRXKGGTZUEOST-QMMMGPOBSA-N 349.170 1.410 0 40 EDAB COC[C@H]1CC2(CCN(C(=O)C3CC(O)C3)CC2)CN1CC1CC1 585103539 JCAJCYQLECAGAX-AQFXKWCLSA-N 336.476 1.497 0 40 EDAB C[C@H](c1nc(-c2ccccc2)no1)N1CCO[C@H](Cn2cncn2)C1 70038651 CAHOIJXVUUFVHN-HIFRSBDPSA-N 340.387 1.790 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)C1=O 71818712 GKBOHSWSLPGFCP-CXAGYDPISA-N 330.388 1.399 0 40 EDAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 50255941 ORCKGXCQMNZMJZ-NSHDSACASA-N 342.465 1.044 0 40 EDAB C[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCOCC1 49465237 JMVBXRLSPRNUCE-SNVBAGLBSA-N 341.205 1.426 0 40 EDAB O=C(C[C@H]1C=CCC1)NCC(=O)N1CCN(c2ccccc2)CC1 58178326 DJDBGQOLEVAPDY-INIZCTEOSA-N 327.428 1.808 0 40 EDAB C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1nccnc1C(N)=O 73846779 SCLAPZJBYUUHSM-CMPLNLGQSA-N 328.347 1.733 0 40 EDAB O=C(c1cccc(OCC(F)(F)F)n1)N1CCc2[nH]ncc2C1 84425328 ZRKHYTRTYPZWLR-UHFFFAOYSA-N 326.278 1.944 0 40 EDAB COc1ccccc1C1(Cn2nnnc2N(C)C[C@H]2CCOC2)CC1 1616035901 BEBQILZIROHYCZ-CQSZACIVSA-N 343.431 1.886 0 40 EDAB CC(C)CN(C)C(=O)N1CCc2nc(N3CCN(C)CC3)ncc2C1 1616030543 CMXLFVZATRWPBY-UHFFFAOYSA-N 346.479 1.294 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(Cc2cn(C)nc2C)CCO1 1615143206 ZGDVENHAXLCVQO-IBGZPJMESA-N 329.444 1.843 0 40 EDAB CCN1C(=O)[C@H]2CN(Cc3ccc(F)cc3)CCN2C12CCOCC2 1772595388 RRANHLINDXCFCJ-QGZVFWFLSA-N 347.434 1.681 0 40 EDAB NC(=O)c1nc(-c2ccccc2O)nc2c1[nH]c(=O)n2-c1ccccc1 5151446 HROWPINDBZLHOT-UHFFFAOYSA-N 347.334 1.580 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1nc(-c2ccncc2)oc1=O 12115890 IITLVHXJOPYITJ-GFCCVEGCSA-N 336.351 1.876 0 40 EDAB CCn1nccc1CNS(=O)(=O)c1cc(OC)ccc1OC 14239273 JSKQRQNPNFFZNL-UHFFFAOYSA-N 325.390 1.399 0 40 EDAB COCCN1CCC[C@@H]1CNC(=O)N1CCN(c2ccccn2)CC1 111864796 KPGQKUYZBMZERB-MRXNPFEDSA-N 347.463 1.024 0 40 EDAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)C5CCC5)C[C@H]4C3)ncnc21 1888866818 WWQZJAXMCZXWHI-ZIAGYGMSSA-N 340.431 1.541 0 40 EDAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@]3(C)O2)c1 18144783 WXLYEDYLTMZPAJ-HLNSBACISA-N 327.336 1.696 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc(F)cc(F)c1 24675784 ADRKZNRTNQMFBN-ZDUSSCGKSA-N 332.372 1.509 0 40 EDAB CN(C)CCCC(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037839933 FYTDIRUZEPBECE-IBGZPJMESA-N 345.443 1.363 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)C2)n1 2037905633 TVMIFBQACVNGGF-KRWDZBQOSA-N 333.363 1.605 0 40 EDAB O[C@H]1CCCC[C@H]1N1CCN(c2nccc(C(F)(F)F)n2)CC1 89893130 MYNUBCWMECIGTJ-NEPJUHHUSA-N 330.354 1.921 0 40 EDAB CCN1C(=O)CC[C@@]12CCCN(c1nc(OC)cc(OC)n1)CC2 1565541819 PZMUVXXKTNPXOL-QGZVFWFLSA-N 334.420 1.865 0 40 EDAB Cc1ccc(N[C@H]2CO[C@@]3(CCN(C(=O)C4(F)CCC4)C3)C2)nn1 1565550963 HVIBFTPFGUUHMT-CJNGLKHVSA-N 334.395 1.849 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc(Cl)cc1 424149 CMWJXFLPKXDTHW-UHFFFAOYSA-N 343.770 1.660 0 40 EDAB Cc1ccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)cc1 4338833 KUVJJYAFAMJSTG-UHFFFAOYSA-N 347.425 1.894 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N(C)C)cc1 11897900 JJWCWZPQBVUYCA-INIZCTEOSA-N 337.445 1.615 0 40 EDAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)c1ccco1 12374878 YCXLRKFSIQISKS-ZDUSSCGKSA-N 345.277 1.762 0 40 EDAB COc1ccccc1-n1c2c(c(=O)[nH]c1=O)CN(CC(C)C)CN2 12401448 ANXQKVSORLJJEI-UHFFFAOYSA-N 330.388 1.375 0 40 EDAB COc1cccc(NC2(C(=O)NC3CC3)CCN(C(C)=O)CC2)c1 2055750925 NOLJPUBRMWGVDE-UHFFFAOYSA-N 331.416 1.767 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2cccc(OC)c2)C1 2055772641 IQOQZTPCCVBQFR-GOSISDBHSA-N 328.416 1.629 0 40 EDAB Cc1cc(C(=O)/N=c2\sc3cc4c(cc3n2C)OCO4)nn1C 101025457 SQSNNGNCUOPQEV-NXVVXOECSA-N 330.369 1.752 0 40 EDAB CN(C)c1ccnc(CNS(=O)(=O)c2ccc(F)c(F)c2)n1 211100316 KTKFXFLMRHSIQS-UHFFFAOYSA-N 328.344 1.299 0 40 EDAB COc1ccc(CCNC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 77286719 GLFNPNBHWOMHBI-SFHVURJKSA-N 330.384 1.835 0 40 EDAB in-vitro CCOC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2cc(C)ccc2n1 31254529 ZFIBKKGULLFCFM-HNNXBMFYSA-N 329.400 1.921 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)N[C@H](C)Cn3cccn3)CC2=O)c1 31401007 ZXQJXTKDXRGYEA-KGLIPLIRSA-N 342.399 1.450 0 40 EDAB CCOC(=O)[C@@H]1C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]1N2C 40564588 DDQLSUNZALBDML-GVXVVHGQSA-N 326.393 1.058 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@@H]12 101005183 QGYZDBKPWFYVGA-WCQYABFASA-N 344.327 1.023 0 40 EDAB NC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102329856 IYLZVIBRIULOIL-MMSPYSMKSA-N 346.408 1.797 0 40 EDAB Cc1nc(C(=O)NCCCn2cccn2)nn1-c1ccc(F)cc1 32809391 WFYHHJBDHZCJMH-UHFFFAOYSA-N 328.351 1.731 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 479583 KYWYHCHDERNFBT-SMDDNHRTSA-N 326.418 1.881 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)[C@@H]1CC(=O)N(Cc2ccco2)C1 33117961 AORLKNBXCRLZTI-GDBMZVCRSA-N 340.379 1.748 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCc1cccc(F)c1 103063514 XSVFNAWDVNSUMS-APYUEPQZSA-N 328.343 1.249 0 40 EDAB O=C1CCCN1[C@H]1CCCN(Cc2ncn(-c3ccccc3)n2)C1 92796669 ROVXEOGJYZZQCJ-INIZCTEOSA-N 325.416 1.854 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCN(Cc3c(C)noc3C)CC2)CC1 47091581 YKUQMHMSSRBLLD-UHFFFAOYSA-N 348.447 1.194 0 40 EDAB O=C(OCN1C(=O)c2ccccc2C1=O)c1cnn(-c2ccccc2)n1 8987005 ADMOXHNRLLRSHM-UHFFFAOYSA-N 348.318 1.678 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78788843 URQIZTVTUCZKMQ-CABCVRRESA-N 332.400 1.129 0 40 EDAB Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCC(=O)N(C)C 78718488 LGSUXIKKIMTJRS-UHFFFAOYSA-N 332.404 1.441 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cccnc1 23156726 DPKPLMMMSDOYJF-GOSISDBHSA-N 336.351 1.414 0 40 EDAB CC(C)OCCCn1c(SCC(N)=O)nc2ccccc2c1=O 3371591 VGVXEDRSTGDWJG-UHFFFAOYSA-N 335.429 1.789 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 24474165 HIDUYOFUOJUSOP-UHFFFAOYSA-N 341.820 1.749 0 40 EDAB CCn1c(CNC(=O)NCc2nnc3n2CCC3)nc2ccccc21 55078666 XGMRCGONMJACBK-UHFFFAOYSA-N 339.403 1.593 0 40 EDAB CCC12CN3CC(CC)(CN(C1)C31C(=O)Nc3ccccc31)C2=O 19323130 CKPWGLORZKQNIU-UHFFFAOYSA-N 325.412 1.798 0 40 EDAB biogenic C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC(C)(C)O1 71185102 NYDKPCIRPQGXNK-JTQLQIEISA-N 347.371 1.096 0 40 EDAB Cc1ccc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)cn1 108532066 FUDAIPYXSSNQSS-UHFFFAOYSA-N 337.445 1.324 0 40 EDAB CCn1nc(C(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2)ccc1=O 95398104 XKJGUQYXJXOZHO-ZDUSSCGKSA-N 349.774 1.862 0 40 EDAB Cc1cccc(N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)c1C 12511783 MPRARTXVBIHCSK-UHFFFAOYSA-N 328.416 1.560 0 40 EDAB CN(C[C@@H](O)c1ccc(F)cc1)C1=NS(=O)(=O)c2ccccc21 95351051 CKZQLOKQBSUZTB-CQSZACIVSA-N 334.372 1.940 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 44364064 OEQYFJJOMFVKBU-UHFFFAOYSA-N 340.420 1.398 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)nc1)N[C@H]1CCN2CCCC[C@H]12 48070370 OWEJWOOMAYMABS-JKSUJKDBSA-N 345.447 1.667 0 40 EDAB CCCCn1nc(C(=O)NCc2nc3ccccc3n2C)ccc1=O 57997592 FVFNNNIAEKKLKZ-UHFFFAOYSA-N 339.399 1.860 0 40 EDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)C1CC1 20727744 XGZSSNZTZFXFTQ-LBPRGKRZSA-N 349.818 1.335 0 40 EDAB COc1cc(C(=O)NN2CC(=O)NC2=O)ccc1OC1CCCC1 48248842 ZUGPRHVBSLMBBZ-UHFFFAOYSA-N 333.344 1.213 0 40 EDAB COc1ccccc1-c1cc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)[nH]n1 58290534 OPQFIJVWPKVFQO-NSHDSACASA-N 349.412 1.849 0 40 EDAB COC(=O)C(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 58368805 IIWPYELKCADKOQ-UHFFFAOYSA-N 330.340 1.126 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCCN2CCCC2=O)c(C)c1 58355320 XDOXYNFLVCGVEY-UHFFFAOYSA-N 340.445 1.685 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)C[C@H]3OCCc4sccc43)CCO2)n1 76045510 ZMSPLKOOYMRPGI-CHWSQXEVSA-N 348.428 1.779 0 40 EDAB CCOc1ccccc1-c1nc(CC(=O)N2CCNC(=O)C2)cs1 28630286 JTZASLNEEDFQCA-UHFFFAOYSA-N 345.424 1.710 0 40 EDAB CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H](O)C(C)C)c1 76022700 LMRJFHOTJOWDAH-AWEZNQCLSA-N 328.434 1.122 0 40 EDAB CC[C@@H]1CN(C(=O)/C=C/c2ccc(S(=O)(=O)NC)cc2)CCO1 29154331 RSKUSPHCKLHTLJ-VIIAAUOXSA-N 338.429 1.245 0 40 EDAB CCc1noc(CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)n1 29142476 SNCZVRDIQVJVJP-OAHLLOKOSA-N 336.298 1.877 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC(C)CC3)cnc21 29596142 HNKAORFXMCHMLH-UHFFFAOYSA-N 330.388 1.367 0 40 EDAB CC(C)Cn1nc(C(=O)NC[C@H](C)N(C)C)c2ccccc2c1=O 46274583 WVIRSKXBXQZDOU-ZDUSSCGKSA-N 330.432 1.732 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccc(C)cc3C)N2N1 10152935 ILCZXQSXQFMBGJ-ZDUSSCGKSA-N 327.388 1.558 0 40 EDAB CN(C(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 20460091 RWEWKXZIWNSREJ-INIZCTEOSA-N 346.408 1.877 0 40 EDAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1cnccn1 23892911 FRFYGNAURULPIZ-UHFFFAOYSA-N 341.371 1.066 0 40 EDAB CNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 3518000 QGZKKYARLKAYPU-UHFFFAOYSA-N 339.808 1.683 0 40 EDAB COc1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)c(C(=O)O)cc1OC 71280099 TVSWPPPVFDBABX-RYUDHWBXSA-N 337.328 1.697 0 40 EDAB COc1ccccc1N1C[C@@H](C(=O)NCCN(C)C2CC2)CC1=O 63118217 OYSFMMOLOCZMMG-ZDUSSCGKSA-N 331.416 1.259 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 39188006 YKEYYJZOINHUBH-LJQANCHMSA-N 337.379 1.991 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCN(C)CC2)s1 49736958 NGJDEPCIGMCLHI-CQSZACIVSA-N 345.534 1.607 0 40 EDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NC[C@H]1CCCOC1 65496395 NFIZEDKEGUNGKY-CYBMUJFWSA-N 342.399 1.226 0 40 EDAB COC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 65517564 JMCCSRKIWYFKSU-SMDDNHRTSA-N 334.347 1.343 0 40 EDAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nnnn1-c1ccccc1 14198096 ZVSTXWNPNVAKEC-UHFFFAOYSA-N 347.382 1.531 0 40 EDAB C/C(=C\C(=O)N1CCN(S(C)(=O)=O)CC1)CCc1ccccc1 65624535 YFNHGPLFUVECBV-CCEZHUSRSA-N 336.457 1.669 0 40 EDAB CN(C)S(=O)(=O)c1cccc(Cn2c(=O)oc3ccccc32)c1 66057966 XNFAVVHDFQDGRB-UHFFFAOYSA-N 332.381 1.893 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 5613834 YYUQCNNWWZVMGL-RISCZKNCSA-N 326.393 1.315 0 40 EDAB COCCCNC(=O)C1CCN(S(=O)(=O)C2CCCCC2)CC1 66576275 GQAUUYZNAXNQJR-UHFFFAOYSA-N 346.493 1.514 0 40 EDAB COc1cc(NC(=O)CN2CSCC2=O)c(OC)cc1Cl 6881108 JBZBJUUBALMEHY-UHFFFAOYSA-N 330.793 1.829 0 40 EDAB COC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(C)cc2)o1 6887332 WBYWBCGGHCIWDY-UHFFFAOYSA-N 331.324 1.848 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cn1C 6800555 SWOZNSKUFHFKNP-NSHDSACASA-N 334.397 1.952 0 40 EDAB COc1c(F)c(F)cc2c(=O)c(C(=O)NCCO)cn(C3CC3)c12 9483915 POQHVWDHYIYHPY-UHFFFAOYSA-N 338.310 1.345 0 40 EDAB CCNC(=O)N1CCN(C(=O)c2ccc(N3CCCC3)nc2)CC1 68239246 QFQDGFHTVPOORE-UHFFFAOYSA-N 331.420 1.169 0 40 EDAB COc1cc(F)ccc1NC(=O)CCn1nnc2ccccc2c1=O 25311525 RDECLZNAXGBVFQ-UHFFFAOYSA-N 342.330 1.968 0 40 EDAB Cc1csc(=O)n1CCC(=O)N(C)Cc1ccc2c(c1)OCO2 16498161 NIBSCXYDHFRWDK-UHFFFAOYSA-N 334.397 1.996 0 40 EDAB Cc1ccc(C(C)(C)CN(C)C(=O)CN(C)S(C)(=O)=O)cc1 96425949 IUBMMJUVUCNDGQ-UHFFFAOYSA-N 326.462 1.622 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnnn1C1CCOCC1 69594856 MWMRQQBWTDKBON-VXGBXAGGSA-N 339.465 1.906 0 40 EDAB COC(=O)c1sc2nc(C)nc(N[C@H](C)C(=O)N(C)C)c2c1C 69527748 QVEUQYNITVRGOI-MRVPVSSYSA-N 336.417 1.983 0 40 EDAB CN(Cc1nc2ccccc2n1C)C(=O)CS(=O)(=O)C1CCCC1 71896777 CGSFQIXSVLEFOI-UHFFFAOYSA-N 349.456 1.889 0 40 EDAB Cn1cc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)c(C(F)(F)F)n1 71841659 JZUQJXFPJCPJTJ-SECBINFHSA-N 345.325 1.069 0 40 EDAB COCCN(Cc1cccnc1)C(=O)c1ccc(N2CCCC2)nn1 71888870 OXVGZPKCKXDAAJ-UHFFFAOYSA-N 341.415 1.761 0 40 EDAB CCN1CCCN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)CC1 69809323 SHIHZBCNFMFODM-UHFFFAOYSA-N 340.427 1.709 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)c2cccc3c2OCO3)CC1 69892511 LXSQBZOFSDHBEQ-UHFFFAOYSA-N 342.399 1.497 0 40 EDAB COCCN(C(=O)[C@@H](C)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 71889116 QTECSODLYXATIK-JSGCOSHPSA-N 343.445 1.662 0 40 EDAB Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C[C@@H](C)O)CC1 71871458 OMZDVXRNJRHXEO-GFCCVEGCSA-N 333.388 1.311 0 40 EDAB O=C(O)CNC(=O)CSc1nnc(Nc2ccccc2F)s1 8850209 YWLIGEFGXUTMJS-UHFFFAOYSA-N 342.377 1.714 0 40 EDAB CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 97022680 LVKKBYZUQPXKTR-OAHLLOKOSA-N 336.457 1.694 0 40 EDAB Cc1nnc2n1C[C@@H](CN[C@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 72252941 SVAVCZNGISFIMS-ZYHUDNBSSA-N 348.838 1.814 0 40 EDAB CN(Cc1ccco1)C(=O)CN1CCC(N2CCN(C)C2=O)CC1 72267482 QJJUSINCSFRQRN-UHFFFAOYSA-N 334.420 1.070 0 40 EDAB Cc1ccc(CCNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc1 72286688 SSNPQLFRKGZRCX-ZDUSSCGKSA-N 343.349 2.000 0 40 EDAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1nc(CCOC)no1 72268674 MNYFYUYQSZBFPS-UONOGXRCSA-N 336.436 1.624 0 40 EDAB O=C(CNC(=O)c1cccc(O)c1)OCCOc1ccccc1F 97165556 JSEMMSFJQIVZEA-UHFFFAOYSA-N 333.315 1.883 0 40 EDAB Cc1cc(NC(=O)CCN2CCc3ncnc(N(C)C)c3C2)no1 97202561 GIRQVOKIHRFHDB-UHFFFAOYSA-N 330.392 1.226 0 40 EDAB NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1F 84339163 PSMRDHSFLUORAM-APPZFPTMSA-N 336.335 1.426 0 40 EDAB O=C([C@@H]1C[C@@H]1c1cccnc1)N1CCC(CN2CCOCC2)CC1 84422087 IEINITQTPWZJIC-QZTJIDSGSA-N 329.444 1.756 0 40 EDAB O=C(N[C@@H]1CCC[C@H](C(=O)O)C1)C1CCN(c2cnccn2)CC1 95991875 IBEDIVGTJPEQOO-UONOGXRCSA-N 332.404 1.453 0 40 EDAB CN(C[C@H](O)C(F)(F)F)C(=O)NCc1cc(=O)[nH]c2ccccc12 95939456 HIIHQSHCVRUESE-LBPRGKRZSA-N 343.305 1.593 0 40 EDAB COCC(=O)N1CC(c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 72382715 UTLREEJYLSNKDK-UHFFFAOYSA-N 342.403 1.508 0 40 EDAB Cc1cnc([C@H](C)NC(=O)N2CCO[C@@H](Cn3cccn3)C2)s1 174918062 YCAUVIHCXBHTFQ-QWHCGFSZSA-N 335.433 1.820 0 40 EDAB COCCOc1ccc(CNC(=O)c2cc(O)ccc2Cl)nn1 515830333 YEPCIPFPFZLCGV-UHFFFAOYSA-N 337.763 1.791 0 40 EDAB Cn1cnc(CCNC(=O)c2cc3nccc(C(F)(F)F)n3n2)c1 1518251142 XIUGYAQDISQCTJ-UHFFFAOYSA-N 338.293 1.454 0 40 EDAB Cc1cc(N[C@H](C)c2nccc(N)n2)n2nc(C(F)(F)F)nc2n1 521398478 JGONCEHBJMCVOS-SSDOTTSWSA-N 338.297 1.997 0 40 EDAB C[C@H](C(=O)NCc1nn(C)cc1Br)c1cnn(C)c1 1548454462 FJKLHDKYDGBWIB-QMMMGPOBSA-N 326.198 1.336 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCCc1ccccc1 33658427 SSZJTIMBRQVWQT-ZDUSSCGKSA-N 335.404 1.114 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 78609966 IKJCOMDDKBDFEP-JYJNAYRXSA-N 338.448 1.432 0 40 EDAB Cc1c(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)nnn1C 563289255 WFIONOAIAUUBKX-UHFFFAOYSA-N 329.404 1.790 0 40 EDAB Cc1ccc(O[C@@H]2CCN(C(=O)c3cnc(O)c(Cl)c3)C2)nn1 225428003 BSDUXHDHVXXTFD-LLVKDONJSA-N 334.763 1.833 0 40 EDAB Cc1nn(C(C)C)c2cnn(CC(=O)NCC(=O)N3CCCCC3)c12 46087531 YDKUOLRQAGUAFL-UHFFFAOYSA-N 346.435 1.251 0 40 EDAB O=C(O)Cn1cc(S(=O)(=O)N(CC2CCC2)c2ccccc2)cn1 570158138 KIZBCQPEAHFJTR-UHFFFAOYSA-N 349.412 1.963 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@@H](c1ccccc1)N(C)C 40288242 JHSSHTHOGVGKMG-HNNXBMFYSA-N 343.431 1.395 0 40 EDAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N1C[C@@H](CO)OC(C)(C)C1 570953226 YEGRHHGTWHVBDO-JSGCOSHPSA-N 335.400 1.560 0 40 EDAB Cc1csc2ncnc(N3CCC[C@@H](S(=O)(=O)N(C)C)C3)c12 575603932 ZWRSFZCXJDWIJY-LLVKDONJSA-N 340.474 1.860 0 40 EDAB C[C@@H](Sc1cccnn1)C(=O)N1CCN(C(=O)c2ccco2)CC1 225443708 WMLOHPJICSPBBZ-GFCCVEGCSA-N 346.412 1.535 0 40 EDAB Cn1c(C(F)(F)F)nn(CC(=O)N2CCc3ccccc32)c1=O 85470746 KMVZIDVWKAXJOD-UHFFFAOYSA-N 326.278 1.190 0 40 EDAB O=S(=O)(NC[C@H](N1CCOCC1)C(F)(F)F)C1CCCCC1 329058038 ISYXGHLPLXSBEI-LBPRGKRZSA-N 344.399 1.502 0 40 EDAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CCCC(=O)c1ccccc1 225632461 KTELOYFRGMGVCM-CABCVRRESA-N 333.384 1.829 0 40 EDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@@H](C)C(C)C)O2 225218582 VGWGAHWDLSEHED-WFASDCNBSA-N 340.445 1.683 0 40 EDAB CC1(C)CC(=O)Nc2ccc(C(=O)NCCCN3CCOCC3)cc21 222282949 DDLDLHUETMUBIB-UHFFFAOYSA-N 345.443 1.759 0 40 EDAB O=C(N[C@H]1COCCC12CCN(c1ncc(F)cn1)CC2)C1CC1 96219812 PQPQTGJHOAZJFS-AWEZNQCLSA-N 334.395 1.517 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(CC2CCCCC2)Cc2nnn(C)c21 96198574 YMMPKQSTQAFFIL-HNNXBMFYSA-N 349.479 1.399 0 40 EDAB Cc1cc(C)n(C[C@@H](C)NCc2cnc(N3CCN(C)CC3)nc2)n1 95416626 VAQVCOKWKZSSCX-OAHLLOKOSA-N 343.479 1.220 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@@H]21 97953872 URPOFAOORUQQCR-BZUAXINKSA-N 342.399 1.935 0 40 EDAB COc1ccc(-n2cc(C(=O)NC[C@@H]3CCCO3)ccc2=O)cc1 96192105 ZWVYXQLXPAGWNH-INIZCTEOSA-N 328.368 1.755 0 40 EDAB Cc1nc(CNC(=O)NCc2ccccc2Cn2cncn2)no1 96437769 DYNQBRBKTIIJPN-UHFFFAOYSA-N 327.348 1.017 0 40 EDAB Cc1ccc(N2C[C@@]3(COCCN(CC4CC4)C3)OCC2=O)s1 96051473 TVOYRTUTXJRKHF-KRWDZBQOSA-N 336.457 1.901 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCC2(CCN(C(=O)c3cccnc3)CC2)O1 96061199 BHEOFMNEVSDBFC-INIZCTEOSA-N 343.427 1.762 0 40 EDAB CC(C)NC(=O)N1CC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225828 XCCJMTXLCYHWMT-KRWDZBQOSA-N 345.403 1.037 0 40 EDAB O=C1C[C@@H](C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)CN1 97237853 ZSVMSUTZTFBHBK-ZWNOBZJWSA-N 342.317 1.741 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)N1CCCC1)C2 96039574 SUNSPRBBPFXWNN-AEFFLSMTSA-N 339.480 1.652 0 40 EDAB CN1C(=O)C[C@H](c2ccccc2)C12CCN(S(=O)(=O)C1CC1)CC2 96199669 AETAZWQNWSSNLZ-MRXNPFEDSA-N 348.468 1.959 0 40 EDAB O=C(c1cnccn1)N1CCC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048382 XSYOQWOFGMXISP-DYVFJYSZSA-N 340.387 1.142 0 40 EDAB COc1ccc(CC(=O)N2CC[C@H](O)[C@@H]2Cc2cnn(C)c2)cc1 96200577 UHWKSZKCWYZPCY-IRXDYDNUSA-N 329.400 1.176 0 40 EDAB Cc1nn(C)c(Cl)c1CN[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 583619495 RNLMLTRGHIOBKK-HIFRSBDPSA-N 333.823 1.839 0 40 EDAB CO[C@H]1C[C@@H](CN(C)C(=O)c2cnn(-c3ccc(F)cc3)n2)N(C)C1 583620228 WAISRMRFYOBXMO-GJZGRUSLSA-N 347.394 1.198 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1 96181770 NYBLCEBJJZSWRO-IMJJTQAJSA-N 336.363 1.019 0 40 EDAB Cc1ccc(N2C[C@@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)nn1 96042418 NPKCOFIQLYXIIF-RKVPGOIHSA-N 346.431 1.160 0 40 EDAB Cc1nccc(N2CCN(C(=O)NCc3ncccc3F)CC2)n1 97376485 FXCCSCNYJUUREK-UHFFFAOYSA-N 330.367 1.351 0 40 EDAB CCn1cc2c(n1)CN(S(=O)(=O)Cc1ccccc1)C[C@H]2COC 96045183 BFOFPYXGKUKIRO-HNNXBMFYSA-N 349.456 1.979 0 40 EDAB O=C(c1ncccn1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 247892441 YZNPGAPKGGTLSK-LBPRGKRZSA-N 328.397 1.651 0 40 EDAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)Cn2cc(C)cn2)ccn1 257207668 BIROEDMZTUTFII-QGZVFWFLSA-N 341.415 1.586 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCN(C[C@H](O)C3CC3)CC2)cc1 85467102 UFCUFHMXSAFMKA-KRWDZBQOSA-N 338.473 1.326 0 40 EDAB COc1cccc(CC(=O)N2CCO[C@H](c3cccc(N)n3)C2)c1 257253959 KBAILHACFWNYSV-INIZCTEOSA-N 327.384 1.815 0 40 EDAB CC(=O)N1CCN(Cc2cccc(Cl)c2)C[C@H](C(=O)N(C)C)C1 257328055 XDXSDRYQXFLBMZ-HNNXBMFYSA-N 337.851 1.709 0 40 EDAB COC(=O)[C@H](CO)NC(=O)C1=Cc2ccccc2O[C@H]1C(F)(F)F 585122153 ORKMNLIUBCOYCY-CMPLNLGQSA-N 345.273 1.043 0 40 EDAB CCn1cc(N(CC(C)C)S(=O)(=O)c2cnn(CC)c2)cn1 585114688 RTMKELPJBYNNDJ-UHFFFAOYSA-N 325.438 1.971 0 40 EDAB O=C(NCc1ccccc1OC(F)(F)F)C1=CCS(=O)(=O)C1 585121025 CGMRXTICSIQBKF-UHFFFAOYSA-N 335.303 1.556 0 40 EDAB CNC(=O)CN1CCC2(CC1)C[C@@H](N(C)c1ccc(C)cc1)CO2 257254367 KCTNDKQKDIMAFR-QGZVFWFLSA-N 331.460 1.801 0 40 EDAB Cc1cc2c(cc1NC(=O)c1cc(N3CCOCC3)ncn1)OCO2 585132004 MPPNLQUMPXCYKW-UHFFFAOYSA-N 342.355 1.603 0 40 EDAB Cn1nccc1[C@H]1[C@H](NCc2cccc(F)c2N)CC(=O)N1C1CC1 585118427 OMYVWVDEOGHVBT-RDTXWAMCSA-N 343.406 1.736 0 40 EDAB C[C@](O)(CCc1ccccc1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 252479505 BGPJFLLENZSOEI-GJZGRUSLSA-N 331.334 1.896 0 40 EDAB C[C@@]1(C(N)=O)CCCN(Cc2cn(-c3ccccc3C(=O)O)cn2)C1 257281700 OQOOEYYEFRJMGI-GOSISDBHSA-N 342.399 1.658 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@H](CCOc3ccccn3)CCO2)C1 253494672 YJNDHHQYRZVYRZ-CQSZACIVSA-N 340.445 1.681 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)/C=C/c2ccccc2)C1 257232555 GLJGJUNCMBRPDI-HSBSLETESA-N 345.424 1.843 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H](c2ccc3c(N)nn(C)c3n2)C1 257267211 MGJZCSPEWPEXSY-LLVKDONJSA-N 337.449 1.470 0 40 EDAB CO[C@@H]1CCN(CC(=O)N2CCc3ccccc32)C[C@]12CCCO2 257199799 AAVRCEIJCZPSPH-IEBWSBKVSA-N 330.428 1.846 0 40 EDAB c1cnc(OCC[C@@H]2CCOC3(C2)CN(c2ncccn2)C3)nc1 253588915 YSYQUPHBQNOBMY-CQSZACIVSA-N 327.388 1.721 0 40 EDAB CN(C)CCC1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 69669698 DOTVXBSBAJFFLA-KRWDZBQOSA-N 345.491 1.883 0 40 EDAB CC(=O)NCCNC(=O)c1ccc(SCc2nc(C)no2)cc1 42861142 LMEYOQKLQIGJDW-UHFFFAOYSA-N 334.401 1.536 0 40 EDAB COc1cccc(CC(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1 257206035 BBOLRFKESIZWPA-ZHALLVOQSA-N 332.444 1.684 0 40 EDAB CC(=O)NCc1cnc(CC2CCN(C(=O)c3cnco3)CC2)cn1 257224743 FDDXCQOLJPGXOY-UHFFFAOYSA-N 343.387 1.196 0 40 EDAB COCCOCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(C)=O 257255697 KIMUVDXDTPWGLR-UIBIWLFHSA-N 338.448 1.430 0 40 EDAB O=C(Nc1ccccc1Cn1cncn1)c1cccn2c(O)nnc12 355627780 IPAIJDRLSRGETG-UHFFFAOYSA-N 335.327 1.327 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H]([C@@H](F)C(=O)O)C1 1614994492 WJIPTHRPSAFXKC-ZWNOBZJWSA-N 331.365 1.437 0 40 EDAB CC(=O)N1CCO[C@@H](C(=O)Nc2cccc(-c3nccs3)c2)C1 1615002405 ADYBMRMXSJBNCT-CQSZACIVSA-N 331.397 1.996 0 40 EDAB Cc1c([C@H](NS(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)C(=O)O)cnn1C 1615205061 TVVDCEQCVJNBKB-SNPRPXQTSA-N 349.412 1.330 0 40 EDAB O=C1NCCN1[C@H]1CCCN(S(=O)(=O)C2(c3ccccc3)CC2)C1 1615606432 YDIARINYLDAKHX-HNNXBMFYSA-N 349.456 1.495 0 40 EDAB COC(=O)c1cc(NC(=O)Cc2ccc(F)cn2)cc(C(=O)OC)c1 390834686 OZNNHXCRYBMJSB-UHFFFAOYSA-N 346.314 1.975 0 40 EDAB CN(C)C(=O)COCC[C@@H]1CN(c2ncccn2)Cc2cccn2C1 585095569 XUJAYACQLFVYLJ-HNNXBMFYSA-N 343.431 1.409 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 585093562 VINNDGUGJXBHHN-AWEZNQCLSA-N 349.518 1.728 0 40 EDAB CO[C@H]1CCN(C(=O)c2nc3c(o2)CCN(Cc2cncs2)C3)C1 585112525 QXGORJJVCIRXRT-NSHDSACASA-N 348.428 1.550 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)Cc2nonc2C)C1 585277925 QZMBURMWQQPYRQ-KRWDZBQOSA-N 331.372 1.271 0 40 EDAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@H](C(N)=O)C(C)(C)C)c1 65567992 GPZMNJOOLQFWKQ-CYBMUJFWSA-N 341.433 1.132 0 40 EDAB CCOc1ccccc1-c1noc(CN2CCO[C@H](CN(C)C)C2)n1 69951364 XQGREOXKFINEPW-CQSZACIVSA-N 346.431 1.898 0 40 EDAB C[C@@H](Cn1ncc2ccccc2c1=O)NCc1nn(C)cc1Cl 1560400935 FZSFBYWDGGBWQK-NSHDSACASA-N 331.807 1.962 0 40 EDAB O=C(NCCCN1CCCCCC1=O)c1ccc(-n2cnnn2)cc1 40489285 YTDBZGGOKYHRHY-UHFFFAOYSA-N 342.403 1.185 0 40 EDAB COC(=O)c1ncsc1S(=O)(=O)Nc1ccc2n[nH]cc2c1 96009268 UQNIQAKWMOGMPL-UHFFFAOYSA-N 338.370 1.607 0 40 EDAB Cc1nn(C)cc1CN1CCc2c(N)nc(N3CCCC3)nc2C1 12222875 PJJDMHJLUWMFKK-UHFFFAOYSA-N 327.436 1.259 0 40 EDAB CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H]3CCCO3)ccc21 13580428 PJJMULIUXJDIFK-CQSZACIVSA-N 338.429 1.308 0 40 EDAB CC(C)C(=O)N1Cc2cn(C)nc2[C@H](C(=O)NCc2ccccn2)C1 19701402 CNYVCDGBUVTVCT-OAHLLOKOSA-N 341.415 1.213 0 40 EDAB CCN(CC)c1nc([C@H](C)n2ncc3ccccc3c2=O)cc(=O)[nH]1 19717545 CFZPKMZNSFNVGS-LBPRGKRZSA-N 339.399 1.935 0 40 EDAB Cc1nc(C(=O)N2C[C@@H](O)[C@@]3(C[C@@H](c4ccccc4)CO3)C2)co1 643551253 SEVWOSAJYOGHSP-QGPMSJSTSA-N 328.368 1.743 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 4806599 WDWDJKCPLGLIOC-CYKSVFEYSA-N 334.416 1.980 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(F)cc3Cl)cnc21 11376534 NMVHLRDIAGTAON-UHFFFAOYSA-N 349.753 1.951 0 40 EDAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NCc1ccco1 11460127 CQIKVWZWABCDJH-NSHDSACASA-N 340.335 1.983 0 40 EDAB CCc1ncnc(N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1F 1888847478 IFNYJAXIFVPCMA-STQMWFEESA-N 340.358 1.804 0 40 EDAB Cn1nccc1C(=O)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888853751 DESZQYJUHWFCCN-GFCCVEGCSA-N 327.388 1.629 0 40 EDAB Cc1nc(N2C[C@@H]3CN(c4ncncc4F)C[C@@H]3C2)nc(O)c1F 1888855758 HERCGQYOJWYBAQ-AOOOYVTPSA-N 334.330 1.131 0 40 EDAB COc1nc(OC)nc(N2CCC(N(C)c3ccccn3)CC2)n1 1889108513 ZBEVFBGVUMICET-UHFFFAOYSA-N 330.392 1.389 0 40 EDAB Cc1nccn1CC1CN(c2ncnc3c2nnn3-c2ccccc2)C1 1889221304 FIYKTYMRSXMMEJ-UHFFFAOYSA-N 346.398 1.852 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)c1cccc(-n2cnnn2)c1 24381240 QOQLXEDLTUDNOV-UHFFFAOYSA-N 337.339 1.364 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1nccnc1N 10307526 ZRBPSCBNKCVHKF-UHFFFAOYSA-N 336.399 1.850 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(Cc2ccccc2Br)C1 41622009 IWTWVECJCDSHRT-LBPRGKRZSA-N 347.278 1.963 0 40 EDAB O=C(N1CCC[C@@]2(COCCN(c3cnccn3)C2)C1)C1(F)CC1 1614928556 ANGZJGYAFSEJJI-INIZCTEOSA-N 334.395 1.424 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccccc1 41792780 SGLFZYHLVFPVQM-CVEARBPZSA-N 341.342 1.662 0 40 EDAB COc1cnc(O[C@H]2CCN(c3ncnc4c3CCCC4)C2)nc1 2087128280 GODVLTXGGNMUGB-LBPRGKRZSA-N 327.388 1.812 0 40 EDAB CC(C)N1CCO[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)CC[C@@H]2C1 1565547935 UDWXRVXJSYXBKF-UKRRQHHQSA-N 340.855 1.494 0 40 EDAB CCC(=O)Nc1sc2c(c1C(=O)NC)CCN(C(=O)OC)C2 5255415 VGXUKCGXKCKXGX-UHFFFAOYSA-N 325.390 1.581 0 40 EDAB Cc1cc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)ncn1 1849112200 HXHMUKBFOXHWIL-UHFFFAOYSA-N 326.448 1.720 0 40 EDAB Fc1cnc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)nc1 1775978333 QOCDTTZBZUCGFM-UHFFFAOYSA-N 326.335 1.992 0 40 EDAB COc1cc(N2CCN(C(=O)/C=C/c3ccco3)CC2)nc(C)n1 48985272 BFIHBTFLNHEHEZ-AATRIKPKSA-N 328.372 1.749 0 40 EDAB O=C(/C=C/c1cccs1)N1CCC(N2C(=O)COCC2=O)CC1 575619044 LOAYOFXRMQFJGF-ONEGZZNKSA-N 334.397 1.138 0 40 EDAB COc1ccc(CCNC(=N)NS(=O)(=O)c2cccs2)cc1 13116715 WJVGTXBBDMGZIE-UHFFFAOYSA-N 339.442 1.802 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(Cc2cccc(Br)c2)C1 66664860 GIGUWHWZENBWIR-ZDUSSCGKSA-N 347.278 1.963 0 40 EDAB COc1ncccc1C(=O)NCc1cccnc1N1CCOCC1 30309801 BHECBPKQVNIKQY-UHFFFAOYSA-N 328.372 1.252 0 40 EDAB Cc1cc(NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)no1 31095290 DWDUGSWKVXOOCU-AWEZNQCLSA-N 326.422 1.312 0 40 EDAB COc1ccc(C(=O)NOCc2ccccc2)cc1S(N)(=O)=O 31616452 FTTAEDSTCAVHPI-UHFFFAOYSA-N 336.369 1.204 0 40 EDAB Cc1ccccc1CNC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 40540900 WTQKRPWPRQMCGS-UHFFFAOYSA-N 339.399 1.648 0 40 EDAB C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)nc1)S(C)(=O)=O 40540967 ITSZUCCRMAYQOM-SSDOTTSWSA-N 326.296 1.394 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)[C@@H]3CCCO3)ccc21 40501791 OHPSULJDIRSBGH-ZBEGNZNMSA-N 338.429 1.441 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)Cn1[nH]cc3c(=O)ncnc1-3)C2 101004828 IANPXHGCVZCACZ-BFCNOCSMSA-N 329.404 1.402 0 40 EDAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1(C)C 32242731 RAEBDELUFFUJKX-WBVHZDCISA-N 333.476 1.648 0 40 EDAB O=C(CCC(=O)c1ccc2c(c1)CCC2)N[C@H]1CCS(=O)(=O)C1 32845167 OVZHBGUPXMRSJD-HNNXBMFYSA-N 335.425 1.442 0 40 EDAB CCc1c(C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)csc1C 102602252 UMYTWNNDLRIQMO-NDBYEHHHSA-N 334.397 1.426 0 40 EDAB CCOC(=O)c1n[nH]c2c(-c3ccc(OC)cc3)c(CC)nn2c1=N 102741820 HWVUISSXXDWRBI-UHFFFAOYSA-N 341.371 1.952 0 40 EDAB CCO[C@H](C)c1nc(CN2CCN(S(=O)(=O)CC)CC2)cs1 76724073 QEBCKGNVZABXSI-GFCCVEGCSA-N 347.506 1.708 0 40 EDAB C[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)S(=O)(=O)c1ccc(F)cc1 47195150 SJJUYIALRMTKQG-JTQLQIEISA-N 347.371 1.925 0 40 EDAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccc(C(=O)OC)cc1 8921939 YQNFTXQZFISCBB-CQSZACIVSA-N 332.356 1.959 0 40 EDAB CCCn1nnnc1NC(=S)NC(=O)c1cccc(C)c1OC 569731 SMIPRHOLLVODMV-UHFFFAOYSA-N 334.405 1.527 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccncc2)c1 47632443 GVKAMUHGFGEGJO-UHFFFAOYSA-N 333.413 1.570 0 40 EDAB O=C(NC[C@@H](O)c1ccsc1)c1c[nH]c(=O)c(Br)c1 78939630 DHGXPSITURGXCB-SNVBAGLBSA-N 343.202 1.662 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(CC(=O)NCC3CCCCC3)C2)n[nH]1 78900334 HOXKQUIIJFNZED-AWEZNQCLSA-N 347.463 1.385 0 40 EDAB COC[C@@H]1CCCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)C1 79099524 PIUIBUAAJGIBSA-LLVKDONJSA-N 326.343 1.580 0 40 EDAB O=C(COC(=O)c1ccc2ccccc2c1)N[C@@H]1CCS(=O)(=O)C1 3530846 MZVDMXYJHXRREI-OAHLLOKOSA-N 347.392 1.300 0 40 EDAB COC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4649784 ATCJCEAMUVLFLX-AXAPSJFSSA-N 336.775 1.997 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1C 4800398 FSZKFFDRVIVKES-JTQLQIEISA-N 333.417 1.342 0 40 EDAB OCCCCCNc1ncnc2c1nnn2Cc1ccccc1F 4985320 YDTMDQSVJMXQMB-UHFFFAOYSA-N 330.367 1.983 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 6581398 BHMHHBYJJNYSBQ-QGZVFWFLSA-N 331.372 1.085 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 106661774 XGENZOVFVGYNEG-JKSUJKDBSA-N 333.432 1.806 0 40 EDAB Cn1cc(NC(=O)c2cn(-c3ccc4c(c3)OCCO4)nn2)cn1 25310353 BSWUBHQDBALHBW-UHFFFAOYSA-N 326.316 1.024 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)NC3(CCOCC3)C2=O)cc1C 57947253 BBOZQECXJUDSIP-UHFFFAOYSA-N 331.372 1.343 0 40 EDAB Cc1ccc(C(=O)NC[C@@H]2CCN(C(C)C)C2)cc1S(C)(=O)=O 58017941 OPJVDWIZALRETK-AWEZNQCLSA-N 338.473 1.859 0 40 EDAB CC[C@@H]1CN(C(=O)COc2cc(Cl)ccc2C(N)=O)CCO1 58184420 ZNCXQKZWTWJTSD-LLVKDONJSA-N 326.780 1.455 0 40 EDAB C[C@H](CN1CCCC1=O)NS(=O)(=O)c1cnn(-c2ccccc2)c1 58281799 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VDWCQZVSVROUKK-MRXNPFEDSA-N 340.489 1.939 0 40 EDAB C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 55175485 SDQSEVYKLUFGII-LBPRGKRZSA-N 346.408 1.927 0 40 EDAB COc1cccc([C@H](NC(=O)c2ccc[nH]c2=O)c2nccn2C)c1 29096890 BXRIVWKWMRMJDQ-HNNXBMFYSA-N 338.367 1.636 0 40 EDAB Nc1cc(N)nc(SCC(=O)Nc2ccc3c(c2)OCCCO3)n1 3425543 OCCHSHHMPVZPNE-UHFFFAOYSA-N 347.400 1.533 0 40 EDAB Cc1ccc(-c2cc(C(=O)NC[C@@H](C)N3CCOCC3)n[nH]2)s1 29963978 BCRYCPYMBBZHSP-LLVKDONJSA-N 334.445 1.897 0 40 EDAB Cc1noc(CCCC(=O)N[C@H](C)c2nnc3n2CCCCC3)n1 46779048 DGJKYDSFYOTDOO-LLVKDONJSA-N 332.408 1.896 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 46882099 QQWGVSQCGKOLKW-OWCLPIDISA-N 347.459 1.722 0 40 EDAB O=S1(=O)CCN(Cc2cccnc2)c2c(F)nc(F)c(F)c21 13692794 AADBREYSYUXMQQ-UHFFFAOYSA-N 329.303 1.688 0 40 EDAB O=C(NCc1cc2c([nH]c1=O)CCC2)c1cc(-c2cccnc2)on1 84425226 YHJCFIKTTZFJBM-UHFFFAOYSA-N 336.351 1.844 0 40 EDAB CN1CCO[C@H](CNCc2cc(Br)c3c(c2)OCO3)C1 65611334 QPLKPKWXPJVCKP-LLVKDONJSA-N 343.221 1.598 0 40 EDAB CCCCCCn1nc(C(=O)NCC(=O)O)c2ccccc2c1=O 6508840 FTDWKSQFTNRXQA-UHFFFAOYSA-N 331.372 1.791 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc(CC(N)=O)cs1 14369731 WHTHKHXCTAZSFL-ISVAXAHUSA-N 333.369 1.338 0 40 EDAB CCn1c(SCC(=O)NC2=NCCS2)nnc1-c1ccncc1 4736577 SWCSUKHHGPJNRN-UHFFFAOYSA-N 348.457 1.671 0 40 EDAB O=c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)[nH]c2ccnn12 66472183 KWVBSBSMLNSJEX-QPJJXVBHSA-N 349.438 1.854 0 40 EDAB C[C@@H](c1cccs1)N(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 67623131 COXACSUMHISGCI-NWDGAFQWSA-N 345.490 1.875 0 40 EDAB CCc1cc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cc(=O)[nH]1 96496600 ZTPFKNFIXHXKEO-QGZVFWFLSA-N 347.459 1.654 0 40 EDAB O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1CC=CCC1 96405798 NGPKFVLVGSGDQG-LBPRGKRZSA-N 336.404 1.723 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC(Nc2cccnc2)CC1 68338729 VISUYDSRVBUNQV-UHFFFAOYSA-N 349.398 1.774 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)OCc1ccc(C(N)=O)cc1 16132838 MVIVABNWIUMXFU-UHFFFAOYSA-N 347.392 1.936 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)Cc3nc(C4CC4)no3)C2)no1 71870516 WNVDXJIMCYOOBY-CYBMUJFWSA-N 332.408 1.735 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 71812650 LTHSBFGWOOTUTB-ZDUSSCGKSA-N 329.404 1.778 0 40 EDAB O=C(Cn1cnnn1)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 71879467 CMFYAGACZDJVFO-UHFFFAOYSA-N 337.318 1.994 0 40 EDAB CCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1cccc(C(N)=O)c1 69389240 QUSCYTIKMMFKJT-CYBMUJFWSA-N 335.429 1.055 0 40 EDAB C[C@@H](OCC1CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 69484023 JSISDTRWFKOWHQ-DYVFJYSZSA-N 330.428 1.808 0 40 EDAB CCCCS(=O)(=O)NCc1ccc(CN2CCC(O)CC2)cc1 71916228 NHINYNYEZCJWJE-UHFFFAOYSA-N 340.489 1.863 0 40 EDAB COC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(F)c2F)CC1 69516228 SXXRAHWQWMIXNN-UHFFFAOYSA-N 341.314 1.204 0 40 EDAB O=C1NCCN1c1nc(CC(=O)N(CC(F)F)C2CC2)cs1 69616974 HTAGNMHHLIZPFA-UHFFFAOYSA-N 330.360 1.471 0 40 EDAB CN1CCN(Cc2ccccc2CNC(=O)N(C)CC(F)F)CC1 69658956 FZNGEVXYAXHPTE-UHFFFAOYSA-N 340.418 1.841 0 40 EDAB O=c1[nH]c(N2CCN(C3CC3)CC2)nc2c1cnn2-c1ccccc1 71913886 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335.429 1.809 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)C1 95440030 RJBBVFZWXKBYOR-BXUZGUMPSA-N 344.864 1.669 0 40 EDAB O=C(Cc1cccnc1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 95445942 VJWNGDKZFCQHHE-RTBURBONSA-N 339.439 1.623 0 40 EDAB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc2c(c1)OCO2 84139585 HCDTWKOJJKAXQK-WDEREUQCSA-N 342.417 1.378 0 40 EDAB COc1cccc2c1CCN(C(=O)N[C@H]1CCc3nc(C)nn3C1)C2 97083224 UVEJXMJEPBIWSL-AWEZNQCLSA-N 341.415 1.678 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)NCCc1c(F)cccc1Cl 97032328 ILXQBNNOLCKASJ-UHFFFAOYSA-N 336.816 1.419 0 40 EDAB O=C(CCn1ccccc1=O)Nc1ccc(CN2CCOCC2)cc1 72286719 NNRJMKWCGRCHAD-UHFFFAOYSA-N 341.411 1.709 0 40 EDAB Cc1cc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nc(C)n1 97109536 OETFYOSAFMDTKT-OAHLLOKOSA-N 338.477 1.924 0 40 EDAB Cn1nc2c(cc1=O)CN(CC(=O)N1CCC[C@H]3CCCC[C@@H]31)CC2 72302440 FELQQQQFYKAGER-PBHICJAKSA-N 344.459 1.320 0 40 EDAB Cc1sc2ncc(C(=O)Nc3nc(C(C)C)nn3C)c(=O)n2c1C 95986793 STBBKWHOMUCXGL-UHFFFAOYSA-N 346.416 1.877 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(C[C@@H]2CCOC2)C1)c1cccc(F)c1 95948402 YWPMSMNVOYQASJ-DZGCQCFKSA-N 342.436 1.605 0 40 EDAB COCCN1CC[C@@H](NC(=O)NC[C@@H](c2cccs2)N(C)C)C1 89312245 VLWZIGXISQTTJI-KGLIPLIRSA-N 340.493 1.371 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H](NCc2ccccc2)C1 89478555 HGWVXOZEZCWDBV-NEWSRXKRSA-N 345.487 1.924 0 40 EDAB COC(=O)Cn1cc(CNC(=O)c2cc3c(C)cc(C)cc3[nH]2)nn1 89582888 HZOYZRGYATYEBN-UHFFFAOYSA-N 341.371 1.479 0 40 EDAB CCC[C@](C)(NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)O 89949441 XSQWIDRRLSVITA-IRXDYDNUSA-N 347.371 1.114 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2cnc3c(C)cccc3c2=O)C[C@H]1N(C)C 89948475 GKCYIMOQXJAKON-GDBMZVCRSA-N 342.443 1.504 0 40 EDAB O=C(c1cc2c(s1)CCOC2)N1CCN([C@@H]2CCC[C@H]2O)CC1 75606344 AIYFZMPDKGRITG-ZIAGYGMSSA-N 336.457 1.492 0 40 EDAB Cc1cc(CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)no1 76017722 ZMWMDBAYSYVAEO-UHFFFAOYSA-N 329.356 1.216 0 40 EDAB Cn1nc2c(cc1=O)CN(Cc1csc(-c3ncccn3)n1)CC2 76064777 HQOXTWNLERRHJT-UHFFFAOYSA-N 340.412 1.252 0 40 EDAB O=C(NCCc1nc2ccccc2[nH]1)C1=NOC2(CCNCC2)C1 1548549773 LNWKSKGTIIEIOH-UHFFFAOYSA-N 327.388 1.120 0 40 EDAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 28207545 KYXUJJPSXUOBJM-CYBMUJFWSA-N 342.461 1.929 0 40 EDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2cc(Cl)c[nH]2)CC1 25195803 MTVHGBHLPOLIDE-UHFFFAOYSA-N 343.767 1.126 0 40 EDAB O=C(COC[C@@H]1CCOC12CN(C(=O)C1CCC1)C2)N1CCCC1 306132007 KVNMXCUGAUTFOI-HNNXBMFYSA-N 336.432 1.043 0 40 EDAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 409207680 XEHJHPSLMKFQAJ-CYBMUJFWSA-N 342.461 1.914 0 40 EDAB CC(C)Cc1nc(C[S@@](=O)CC(=O)NCc2cccs2)no1 79324575 ZZMWBOCTZPVPST-QFIPXVFZSA-N 341.458 1.895 0 40 EDAB Cc1noc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)n1 38680857 OPWPLCVILQWFGG-UHFFFAOYSA-N 328.328 1.071 0 40 EDAB Cc1cc(C)cc(OCn2ccc(C(=O)N3CCN(C)CC3)n2)c1 35670823 DQKFBPSMHROELZ-UHFFFAOYSA-N 328.416 1.924 0 40 EDAB NC(=O)c1cnc(C[C@@H]2COCCN(C(=O)C3CCCCC3)C2)cn1 72382798 NGWRDCUZFSWTHT-ZDUSSCGKSA-N 346.431 1.173 0 40 EDAB O=C(COCc1ccccc1)N1CCN(c2nccs2)C(=O)C1 1565522490 IYASLLMIZXSZJK-UHFFFAOYSA-N 331.397 1.535 0 40 EDAB Cc1nnc(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)s1 70816482 FWUHPBKLBWYGGV-UHFFFAOYSA-N 346.368 1.286 0 40 EDAB CN(C)C(=O)[C@@H]1CN(C(=O)CCc2ccccc2)Cc2cn(C)nc21 72345652 OYVKJWCCACDNKA-MRXNPFEDSA-N 340.427 1.567 0 40 EDAB CC1(C)OCC2(CO1)CN(S(=O)(=O)c1c(F)cccc1F)C2 70972143 ZAZFLJDJASSQEX-UHFFFAOYSA-N 333.356 1.738 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@]2(CN)CO)cc1 218047587 JPTPFODCTOUOQV-OKZBNKHCSA-N 331.437 1.872 0 40 EDAB CCOc1ccc(CN(C)C(=O)Cn2cc(NC(C)=O)cn2)cc1 568240561 RKCJZVBAWULWFN-UHFFFAOYSA-N 330.388 1.899 0 40 EDAB CCCCNc1cc(N2CCN(Cc3cc(C)no3)CC2)nc(N)n1 225537588 MHRICUIEIMTUED-UHFFFAOYSA-N 345.451 1.889 0 40 EDAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CNS(=O)(=O)C3CC3)C2)o1 96206367 YHQXIZOYDBUKOJ-CJNGLKHVSA-N 340.445 1.118 0 40 EDAB COc1ccc(C(=O)N2CCC[C@@]3(CN(C(C)=O)CCO3)C2)cc1 96268758 CPPRZRBLZALBAP-GOSISDBHSA-N 332.400 1.549 0 40 EDAB CCN1CC[C@]2(CN(CCOC)CC23CCN(CC2CC2)CC3)C1=O 96036434 NEHGYHNFIYDBSL-FQEVSTJZSA-N 349.519 1.679 0 40 EDAB Cc1nnc(N2CCC[C@]3(CN(Cc4nccs4)CCO3)C2)o1 96049195 ZBHFAFNARKLOKN-HNNXBMFYSA-N 335.433 1.706 0 40 EDAB O=C(NC1CC1)N[C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 96189770 PBIZRHMNUMJDSN-MRXNPFEDSA-N 344.459 1.263 0 40 EDAB CCOc1cc([C@H](N)c2n[nH]c(Cn3cccn3)n2)ccc1OC 95534410 KLJRMBAASLGSSU-HNNXBMFYSA-N 328.376 1.505 0 40 EDAB Cc1ccc(CN2C[C@H](C(=O)N3CCOCC3)C3(CCOCC3)C2)o1 96160161 BIQQNBMFXMHLAR-QGZVFWFLSA-N 348.443 1.675 0 40 EDAB C[C@H]1CCN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)C[C@H]1O 96494202 JAGHPJKUSBMKPV-TVQRCGJNSA-N 338.770 1.903 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@@H]2CCN(c3ncccn3)C[C@@H]2O1 96043247 HDFVQXAGJHJPOE-XHSDSOJGSA-N 339.399 1.172 0 40 EDAB Cc1cc(Br)ccc1CNC(=O)NCC[S@@](C)=O 96408909 ZLPOZCFYDMWADY-SFHVURJKSA-N 333.251 1.935 0 40 EDAB Cc1oncc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2c1cccnc1 96186463 KHSZUKGOXSTSKS-GJZGRUSLSA-N 326.356 1.788 0 40 EDAB Cc1cccc(CN2CC[C@@]3(CCCN(CC(=O)N(C)C)C3)C2)n1 96215322 AHFMNPWJJOWFPJ-LJQANCHMSA-N 330.476 1.766 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC2(CC1)CN(Cc1ccccn1)CCO2 96158853 SZLNZDDIVBHCQA-KRWDZBQOSA-N 345.443 1.454 0 40 EDAB CN(C)c1cc(C(=O)N2CC3(C2)CS(=O)(=O)C3)c2ccccc2n1 585087894 AASKSGFUURELOV-UHFFFAOYSA-N 345.424 1.171 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CC[C@H](N3CCN4C(=O)CC[C@@H]4C3)C2)cn1 585079715 YRNRCQGSQOINPY-IXDOHACOSA-N 342.443 1.348 0 40 EDAB C[C@H]1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 585121125 GMCCDSPQIGZBBA-WFASDCNBSA-N 349.406 1.448 0 40 EDAB COC(=O)C[C@@H](NC(C)=O)C(=O)N1[C@H]2CCC[C@H]1CC(F)(F)C2 585112945 JYJQKJJQWGWMCT-SDDRHHMPSA-N 332.347 1.233 0 40 EDAB O=C(Cn1cnc2ccccc21)N1CC[C@H](n2cc(C3CC3)nn2)C1 244933148 CDQMTSIDSZVWPB-AWEZNQCLSA-N 336.399 1.979 0 40 EDAB COc1ncccc1CN1Cc2ncn(C)c2[C@@H](C(=O)N(C)C)C1 248037533 VBIIYYNTDXPUQE-ZDUSSCGKSA-N 329.404 1.011 0 40 EDAB CN1C[C@@H](C(=O)Nc2nc3cccnc3n2C)[C@H](C(F)(F)F)C1 585655707 OQGKISGTHXEPRE-RKDXNWHRSA-N 327.310 1.647 0 40 EDAB Cc1cc(OCC(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)cc(C)c1Cl 257323824 WLZCOZYFXNEEPD-XJKCOSOUSA-N 327.808 1.726 0 40 EDAB Nc1ncnc2c1ncn2[C@H]1CCN(CC2CCCCC2)CC[C@@H]1O 257289727 PZXMMCGZZODCAW-GJZGRUSLSA-N 344.463 1.987 0 40 EDAB O=C1[C@H]2CCCN2C(=O)N1C1CCN(CCc2ccncc2)CC1 253420059 CUOCVRUBVKXACZ-MRXNPFEDSA-N 328.416 1.515 0 40 EDAB Cc1cnc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)cn1 257337863 YUSXSQBWQYEVEK-SJLPKXTDSA-N 327.384 1.830 0 40 EDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)Cn2cc(C)cn2)n1 257336577 YPBLHMGKXPJTEU-QGZVFWFLSA-N 341.415 1.586 0 40 EDAB Cc1cc(C)n(CC(=O)NCc2cnc(C)nc2[C@@H]2CCCN2C)n1 257239059 HNTUDOCXQZKSKV-INIZCTEOSA-N 342.447 1.681 0 40 EDAB O=C(NCCc1ccncc1)[C@@H]1CN(c2ccc(F)cc2)CCN1 257334731 YHDSFWRBOWPCOQ-KRWDZBQOSA-N 328.391 1.358 0 40 EDAB Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H](Oc4cccnc4)[C@H]3C2)c1 257256523 KLVOSGFARCNNPQ-VHDGCEQUSA-N 348.428 1.293 0 40 EDAB CCOc1ccc(CN2CC[C@H](O)[C@@H](NC(C)=O)CC2)cc1CO 257280883 OMUOSGPFWOEAHJ-IRXDYDNUSA-N 336.432 1.039 0 40 EDAB Cc1cnc(C(=O)N2C[C@@H](O)[C@H](N(C)Cc3ccc(F)cc3)C2)cn1 257217652 CZYIAYOTFVMOEC-IAGOWNOFSA-N 344.390 1.241 0 40 EDAB CCCn1cc(Cl)c(C(=O)N2CC[C@H](O)[C@@H](NC(C)=O)CC2)n1 257312373 UNPVFVRPEYEASN-STQMWFEESA-N 342.827 1.048 0 40 EDAB O=C(CN1CCOCC1)N1CCC[C@@H]2[C@H]1CCCCN2CC1CC1 257205376 AYSYKBHZYVYUML-QZTJIDSGSA-N 335.492 1.574 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NC(C)C 352705162 KVOWNXQZRHBNKO-VIFPVBQESA-N 334.825 1.540 0 40 EDAB Cc1cc(C(=O)O)c(F)c(S(=O)(=O)NC[C@H]2CCOC[C@H]2C)c1 285545605 SDPKACWUYBJCLS-GHMZBOCLSA-N 345.392 1.783 0 40 EDAB COCCNS(=O)(=O)c1cnc(N2CCCCC2)c(Cl)c1 1615046145 YSIOJCSKGPXKOC-UHFFFAOYSA-N 333.841 1.650 0 40 EDAB NC(=O)C1CCN(C(=O)CNc2cccc(-c3nccs3)c2)CC1 1615616458 KSMNKJUFDDZNGZ-UHFFFAOYSA-N 344.440 1.946 0 40 EDAB COC(=O)C[C@@H](NC(=O)c1ccc(Cl)c(N)c1Cl)C(=O)OC 390834354 WYRXKGGTZUEOST-MRVPVSSYSA-N 349.170 1.410 0 40 EDAB Cc1noc(C)c1C(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccncc1 585107717 ZZXWBCWWZWLLKE-JKSUJKDBSA-N 342.399 1.412 0 40 EDAB Cc1cncc(C(=O)N2CCn3cc(C(=O)NC(C)C)nc3[C@@H]2C)c1 585096427 NCYQGCXTXOCXKX-ZDUSSCGKSA-N 341.415 1.942 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2ccsc2)[C@H]2CCO[C@H]21 585109262 FLNQQLFZVZIADB-ILXRZTDVSA-N 346.408 1.887 0 40 EDAB Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2nncn2C)N(C)C)cc1 67704951 ANPWRMXWSODHET-UKRRQHHQSA-N 330.436 1.787 0 40 EDAB O=C(c1cccnc1N1CCOCC1)N1CCC[C@H](n2cccn2)C1 69417940 HFVWAHAPQVVKKZ-HNNXBMFYSA-N 341.415 1.592 0 40 EDAB CC(=O)N1CCC[C@@](O)(CN2CCC(Cc3ncccn3)CC2)CC1 72367490 NQQSTWMPOHQQOX-IBGZPJMESA-N 346.475 1.495 0 40 EDAB Cn1ccnc1[C@@](O)(CC(=O)NCc1cccnc1)C(F)(F)F 44896024 PALOUIMCKRSUFU-ZDUSSCGKSA-N 328.294 1.272 0 40 EDAB CC(=O)NCCc1ccc(S(=O)(=O)N(C)C2CCCC2)s1 58017961 ZVFGTWHIRIUUMR-UHFFFAOYSA-N 330.475 1.990 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)C(C)(C)c1ccc2c(c1)OCCO2 60479792 CTLDYZDMDHCACN-UHFFFAOYSA-N 334.416 1.672 0 40 EDAB COc1ccccc1-c1nc(CN2CCN(CCO)CC2)cs1 58754270 BZRYNSNBNTZKAI-UHFFFAOYSA-N 333.457 1.929 0 40 EDAB CCCc1nnsc1C(=O)N1CCCSC[C@@H]1CN(C)C 90700144 DGNRYPPSVIIXOL-NSHDSACASA-N 328.507 2.000 0 40 EDAB CC(C)CC(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 96121330 WENNVFMXJIKTDE-UHFFFAOYSA-N 333.436 1.008 0 40 EDAB Cn1c(=O)/c(=C/c2cccc(O)c2)s/c1=C\C(=O)c1ccco1 96996688 PBOPXWHCZGVLRT-VULZFCBJSA-N 327.361 1.238 0 40 EDAB CC[C@@H]1CN(C(=O)CC(C)(C)C)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772595031 QZQGZGCOIOQGJQ-BRWVUGGUSA-N 339.524 1.516 0 40 EDAB O=C(O[C@@H]1CCCN(CO)C1)C(O)(c1ccccc1)c1ccccc1 5065137 ZSUSDUDUJIQWJP-GOSISDBHSA-N 341.407 1.880 0 40 EDAB Cc1cc(C)cc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1 5000087 HRJNDLWJVASJLW-UHFFFAOYSA-N 337.379 1.956 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1ccc(F)cc1)c1cccn1C 11897876 KSTXFPBYIRRIIM-OAHLLOKOSA-N 325.409 1.745 0 40 EDAB O=C(NC1CCCC1)c1nnc2n(c1=O)CCN2c1ccccc1 12233522 BXHBDJIRVKCSHR-UHFFFAOYSA-N 325.372 1.462 0 40 EDAB CN1CCN(c2nc(Nc3ccc(F)cc3)c3cnn(C)c3n2)CC1 17148915 UJCAPNCAYLPTMC-UHFFFAOYSA-N 341.394 1.998 0 40 EDAB CC(=O)Nc1ccc(NC(C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 17246227 ZLYMUOQJYGZMMX-UHFFFAOYSA-N 330.344 1.381 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(C)s1 17950467 LMPKERISFSZRLU-AOOOYVTPSA-N 346.474 1.604 0 40 EDAB O=C(CCn1cccn1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 19406106 LYOQCEKFMCTCLU-AWEZNQCLSA-N 340.431 1.115 0 40 EDAB CN1CCN(C(=O)C2CN(C(=O)C(C)(C)c3ccc(F)cc3)C2)CC1 19748705 CPVKZTPNXSHRDD-UHFFFAOYSA-N 347.434 1.336 0 40 EDAB Cn1cc(/C=C\C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cn1 4615037 URPNVCPMCLXNBG-UQCOIBPSSA-N 340.383 1.544 0 40 EDAB O=S(=O)(c1ccccc1F)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618255757 YKUBVGRNMHKQOW-RYUDHWBXSA-N 336.392 1.974 0 40 EDAB Cc1oncc1CN1CCN(C(=O)c2noc3c2CCCC3)CC1 238961060 YLWFLRLWYPGLDK-UHFFFAOYSA-N 330.388 1.808 0 40 EDAB Cc1noc(C)c1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3413245 ANMZHYKUAOGFQA-UHFFFAOYSA-N 332.312 1.493 0 40 EDAB O=C(c1cccnc1)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888850369 GTKLHXZKDRFZMO-IYBDPMFKSA-N 335.411 1.957 0 40 EDAB CC(C)n1c(N2C[C@H]3CN(S(C)(=O)=O)C[C@@H]3C2)nc2ccccc21 1888863919 FIZWMPSLHUWLLX-KBPBESRZSA-N 348.472 1.945 0 40 EDAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)C(=O)Nc1ccon1 245039117 OGAYHGBRNSUXEP-HNNXBMFYSA-N 347.352 1.320 0 40 EDAB Cn1nnc2c1CCN(C[C@@H](O)c1ccc(Br)cc1)C2 70503665 BKUYIHCLYZEXOD-CQSZACIVSA-N 337.221 1.669 0 40 EDAB O=S(=O)(c1cccnc1)N1CCc2nc3ncccc3cc2C1 2087045656 PGERQOAWPTUEFL-UHFFFAOYSA-N 326.381 1.772 0 40 EDAB O=C(Cc1ccccc1)N[C@]1(C(F)(F)F)N=C2SCCN2C1=O 2503754 VRASBOKSKFPAFO-ZDUSSCGKSA-N 343.330 1.549 0 40 EDAB COc1ccccc1OC[C@H](O)CN(CCO)Cc1ccccc1 8844752 IBRZPEGSDQRZBS-QGZVFWFLSA-N 331.412 1.929 0 40 EDAB O=C(CCc1ccc[nH]1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 2055713199 DOVLXGYBHXRKFD-CQSZACIVSA-N 339.403 1.094 0 40 EDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)c2cocn2)CC1 2055734880 VDGNIBOICNFXFN-UHFFFAOYSA-N 346.362 1.647 0 40 EDAB Cc1nc(C(=O)N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCC3CC3)C2)cs1 2055746231 CYQYXJHRDYVZSF-KCQAQPDRSA-N 349.456 1.455 0 40 EDAB O=C(NCCOCCn1ccnc1)c1cccc(-n2cccn2)c1 585150376 CUHCVKSIWMJIJE-UHFFFAOYSA-N 325.372 1.515 0 40 EDAB Cc1nnc2ccc(N3CCC[C@@H](COc4cnccn4)C3)nn12 2298214468 HGEPMOBXNAQBIG-CYBMUJFWSA-N 325.376 1.518 0 40 EDAB COc1cccc(-n2nnc(-c3nc(-c4ccncc4)no3)c2N)c1 4316001 GIBFJCPUILIDER-UHFFFAOYSA-N 335.327 1.970 0 40 EDAB CC(C)N1CCc2c(sc(NC(=O)c3ccn(C)n3)c2C(N)=O)C1 11695499 RAOXWNFJRAWZNF-UHFFFAOYSA-N 347.444 1.599 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)cnc21 40464870 JMTPLUDVZQYNDB-GXTWGEPZSA-N 329.404 1.311 0 40 EDAB CCOC(=O)C(=O)N(CCN1CCOCC1)Cc1ccccc1F 20478534 NWCCZAGFSPAKNV-UHFFFAOYSA-N 338.379 1.050 0 40 EDAB Cc1nnc(NC(=O)NCc2cccnc2N2CCOCC2)s1 40526512 RJTCKSVZIZPNBC-UHFFFAOYSA-N 334.405 1.400 0 40 EDAB CNC(=O)C(=O)NCc1ccc(C(=O)Nc2ncccc2C)cc1 40556182 LYXNVNYXASTROF-UHFFFAOYSA-N 326.356 1.005 0 40 EDAB CCc1cc(NCc2cccc(NS(C)(=O)=O)c2)n2ncnc2n1 51625008 XFRVHJLNBLUARO-UHFFFAOYSA-N 346.416 1.670 0 40 EDAB Cn1c(S)nc2cc(C(=O)NCC[C@@H]3CCCO3)ccc2c1=O 103097875 YHPOSDCWOMREOV-NSHDSACASA-N 333.413 1.521 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)N3CC[C@H]4CCCC[C@@H]4C3)cnc21 41800962 MBBHNTLEMSCBKB-ZIAGYGMSSA-N 343.431 1.559 0 40 EDAB CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@H]1c1ccc(OC)cc1 34789 OVNOHUAKTBMEGD-HNNXBMFYSA-N 334.372 1.591 0 40 EDAB COc1ncccc1NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 47101218 QXBDJOWEQUMTGX-GFCCVEGCSA-N 328.376 1.671 0 40 EDAB CNC(=O)c1cc(C)ccc1NCC(=O)Nc1c(C)nn(C)c1C 79066020 VPOPCEPCENWTMC-UHFFFAOYSA-N 329.404 1.756 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C1 53894762 AGGWNAMMCMOLSX-CQSZACIVSA-N 327.384 1.998 0 40 EDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3cccs3)ccc21 3349514 VMWSEILUROQYIH-UHFFFAOYSA-N 329.381 1.701 0 40 EDAB COc1ccccc1NC(=O)C[C@H](NCc1ccccn1)C(=O)O 4189749 ZFXZZGINDKEVFI-AWEZNQCLSA-N 329.356 1.662 0 40 EDAB CCCCN(C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 23696905 BJKLIAPHNNWSFH-SFHVURJKSA-N 346.431 1.607 0 40 EDAB CC(=O)N[C@H](CC(=O)N1CCC[C@@H](n2cncn2)C1)c1cccs1 72272241 JIIREQSCXPOJLN-ZIAGYGMSSA-N 347.444 1.771 0 40 EDAB COCc1nc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)cs1 72235556 XXZVMXBQCLZBBT-GFCCVEGCSA-N 335.433 1.975 0 40 EDAB CC(C)c1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 24369640 CDBGLDUIKXXHOW-UHFFFAOYSA-N 340.445 1.293 0 40 EDAB CCCc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)[nH]n1 12535327 MMMPZHAHCQXZIS-UHFFFAOYSA-N 325.372 1.871 0 40 EDAB O=C(NCc1ccccc1)c1ccccc1N1CCS(=O)(=O)CC1 1396280 GAUHAYZXKLHOAW-UHFFFAOYSA-N 344.436 1.851 0 40 EDAB O=C(O)[C@H]1Cc2ccccc2CN1C(=O)Cc1cn2ccsc2n1 95350085 ONGBWUWRKURVRF-CQSZACIVSA-N 341.392 1.976 0 40 EDAB CCn1cc(NC(=O)NCc2ccc(S(=O)(=O)NC)cc2)cn1 43637118 GWIRQGDXKDDHQO-UHFFFAOYSA-N 337.405 1.133 0 40 EDAB NC(=O)CC1CCN(C(=O)NCCOc2ccc3c(c2)CCC3)CC1 56485455 KYZPPNDKWSKVLR-UHFFFAOYSA-N 345.443 1.851 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(F)cc(F)c2)cc1 9703483 FGVGVKVIUFXGJQ-UHFFFAOYSA-N 326.324 1.542 0 40 EDAB C[C@H](C(=O)NCc1ccccc1)N1CCN(c2nccs2)CC1 57503606 XVAYMRCURVFZSR-CQSZACIVSA-N 330.457 1.970 0 40 EDAB O=c1cc(CN2CCN(c3ncccn3)CC2)c2ccc(O)cc2o1 57681189 URRMVXAKHSHMSZ-UHFFFAOYSA-N 338.367 1.611 0 40 EDAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccco1 57878976 CGGVLVUQNDGBTD-OAHLLOKOSA-N 333.388 1.937 0 40 EDAB Cc1cccn2c(=O)cc(CN3CCC(C(=O)N(C)C)CC3)nc12 44868010 JUNCDIIYTBOJML-UHFFFAOYSA-N 328.416 1.303 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)Cn2ccccc2=O)Oc2ccccc21 44873418 ONDBJNBEWFURET-OAHLLOKOSA-N 341.411 1.594 0 40 EDAB O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCCC1 21898571 PWWLEYHMDSVDEA-AWEZNQCLSA-N 338.429 1.380 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 58224449 LAGWWSAQSWPVRH-ZDUSSCGKSA-N 333.432 1.315 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(=O)c2ccccc2o1 58268327 VGGLZTSPATWXSZ-OLZOCXBDSA-N 328.368 1.386 0 40 EDAB CC(=O)N1CCC(NC(=O)c2cc(C)nc3c2c(C)nn3C)CC1 44906886 GJBDEYSZZWUORU-UHFFFAOYSA-N 329.404 1.326 0 40 EDAB Cn1cccc1C(=O)N[C@@H]1CN(c2ncc(F)cn2)[C@@H]2CCCO[C@H]12 107204326 VSTFRPXMMACYPO-UMVBOHGHSA-N 345.378 1.120 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnnn1C 3339173 AXWVRFBGAUOVND-UHFFFAOYSA-N 343.416 1.743 0 40 EDAB O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ccnc2ccnn12 72287184 PSRUZEUFSQJAAX-UHFFFAOYSA-N 331.282 1.376 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)cc1OC 28326097 XWKHTEZRSWKQIB-VXGBXAGGSA-N 329.418 1.858 0 40 EDAB CC(C)S(=O)(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 48311600 PSOFFTLTFINYLR-UHFFFAOYSA-N 339.461 1.594 0 40 EDAB COC[C@H](C)NC(=O)CCc1nc2ccccc2c(=O)n1C1CC1 58955569 BAQHWANHBLQQMG-LBPRGKRZSA-N 329.400 1.815 0 40 EDAB CCOC(=O)CN(C(C)=O)c1nc(C)c(Br)c(OC)n1 26952237 YDLUZXBKOZPEGX-UHFFFAOYSA-N 346.181 1.472 0 40 EDAB CCOC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 2462033 JTNKXJRSAMLJJP-NEPJUHHUSA-N 340.426 1.544 0 40 EDAB C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)[C@@H]1COCCO1 72275589 FEXQMEYPSBKBQR-XQQFMLRXSA-N 328.409 1.258 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCCN(c2nccs2)C1 72240558 RLOPEMBERRVDPE-QWHCGFSZSA-N 331.445 1.687 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)NCCCn2cncn2)CC1 45648628 LUKWMZLDEXRUFK-UHFFFAOYSA-N 342.447 1.504 0 40 EDAB COc1ccccc1N1CCN(C(=O)N[C@@H]2CCCCNC2=O)CC1 45665745 SWEIKSJKAUQOLA-CQSZACIVSA-N 346.431 1.196 0 40 EDAB COc1ccc([C@@H]2CCCN2CC(=O)NCCNC(C)=O)c(OC)c1 11439945 FFJYYJBVDOAXIM-INIZCTEOSA-N 349.431 1.093 0 40 EDAB C[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)CN1CCCCC1 59420320 CRIIKMUASQQOMI-ZDUSSCGKSA-N 328.416 1.775 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F 12814733 OKKYSEUSGVSQFA-HNNXBMFYSA-N 348.399 1.687 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(Br)cc1F 12861096 XYUGWJSQYHNQPJ-UHFFFAOYSA-N 342.124 1.077 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)NC[C@@H](O)c1ccccc1 12896650 JZMYXRDVDGJEQX-QGZVFWFLSA-N 337.379 1.636 0 40 EDAB biogenic NC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 11781308 NTCUNIOVXUNHOS-UHFFFAOYSA-N 348.362 1.643 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1c(Cl)cccc1Cl 12882224 ILOURLUZMVWCJK-LBPRGKRZSA-N 331.199 1.857 0 40 EDAB O=C1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)n2ncnc2N1 9014004 CISKMHBDMJEJIZ-SECBINFHSA-N 325.250 1.819 0 40 EDAB c1cnc(N2CCN(CCNCc3cccc4c3OCO4)CC2)nc1 48747026 WEJMPOIEZNBDRB-UHFFFAOYSA-N 341.415 1.117 0 40 EDAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(CC)C2)c1 49126821 NYDKACXPQRYVDY-CJNGLKHVSA-N 345.443 1.700 0 40 EDAB CC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 9193585 GRZFHDRYBSYMIQ-ABAIWWIYSA-N 330.384 1.791 0 40 EDAB Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCN(CC(N)=O)CC1 84041408 VVMIBRJOPASPQM-OAHLLOKOSA-N 346.475 1.695 0 40 EDAB COCCn1nc(C)c(CNc2ncc(C(N)=O)cc2Cl)c1C 97160081 DORNZTFBGKSLFM-UHFFFAOYSA-N 337.811 1.906 0 40 EDAB O=C(NCC[C@@H]1CCCO1)[C@H]1CCCN1C(=O)OCC(F)(F)F 65494496 HTIWYAUYWDHGFR-WDEREUQCSA-N 338.326 1.835 0 40 EDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)N1CCCc2ccccc21 14022140 LSXVPLFVZXALBZ-SECBINFHSA-N 330.417 1.496 0 40 EDAB CNC(=O)C1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)CC1 65568275 JQLJJLYJDVOKRU-CQSZACIVSA-N 338.477 1.518 0 40 EDAB O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cccc2cn[nH]c12 96010897 OCYVZMKHZBNWQT-OAHLLOKOSA-N 335.367 1.883 0 40 EDAB Cc1cc(C)c(Br)c(C(=O)NCCOCC(N)=O)c1 97141915 HOBAPVZCEYETOF-UHFFFAOYSA-N 329.194 1.298 0 40 EDAB COc1ccc(CN2CCN(c3ncnc4c3cnn4C)CC2)cc1 14270251 SYQGXDMMLPKRKT-UHFFFAOYSA-N 338.415 1.694 0 40 EDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nc(C)no1 14245085 MAIXQOXSMKQGHG-UHFFFAOYSA-N 332.360 1.610 0 40 EDAB CCCCn1c(N)c(N(CC)C(=O)c2ccccc2C)c(=O)[nH]c1=O 6508137 BUYUZLREUFXFSZ-UHFFFAOYSA-N 344.415 1.894 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)Oc2ccccc2C(N)=O)cc1 6509974 WZGMUNGIXCDSCU-UHFFFAOYSA-N 349.364 1.730 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccc(OC)cc2)n[nH]1 6579885 LSGIGKCNMOUJBK-MRVPVSSYSA-N 335.389 1.417 0 40 EDAB C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc(Cl)nc1Cl 66579690 GEUUAMJJGZGZMY-SSDOTTSWSA-N 336.204 1.347 0 40 EDAB COC(=O)CNC(=O)COC(=O)/C=C/c1ccc2ccccc2n1 5980963 IUNWDPONKMWREE-CMDGGOBGSA-N 328.324 1.080 0 40 EDAB C[C@@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)NC(N)=O 5936496 YUOWWUIGRFVJJP-SECBINFHSA-N 330.340 1.591 0 40 EDAB Cc1cc(N)nc(SCC(=O)N2CCN(c3ccccc3)CC2)n1 7048617 QFQNPRGCLVGRFV-UHFFFAOYSA-N 343.456 1.808 0 40 EDAB CC(=O)NC[C@@H]1CN(C(=O)/C=C/c2cn(C)c3ccccc23)CCO1 80356614 SXBJJWAAPVRNKZ-KXPUMZMLSA-N 341.411 1.555 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccoc3)CC2)s1 9482088 SLIHVTCCEMQFPB-UHFFFAOYSA-N 340.426 1.796 0 40 EDAB Cc1noc(CCNS(=O)(=O)N2CCC[C@H]2c2ccc(C)o2)n1 84195307 IZKCRNFGFHCKOF-LBPRGKRZSA-N 340.405 1.493 0 40 EDAB CC(C)c1nnc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)s1 16046717 JBKIIFVODBBZIF-UHFFFAOYSA-N 337.405 1.465 0 40 EDAB C[C@H](CCNC(=O)N1CCO[C@H](Cc2ccccc2)C1)[S@](C)=O 96494032 HWBGDFPSDMRUIV-GTAYFMOCSA-N 338.473 1.797 0 40 EDAB Cc1csc(=O)n1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 7976346 UVWRQIBHQADKQY-UHFFFAOYSA-N 326.399 1.260 0 40 EDAB O=C(Cc1cccc(F)c1)NCC(=O)N[C@@H]1c2ccccc2C[C@H]1O 81701301 QHMNTLDZXTZBTL-VQIMIIECSA-N 342.370 1.259 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Cc2ccccc2)ccc1O 69348735 LNXBVRGFVCEFET-HNNXBMFYSA-N 345.420 1.900 0 40 EDAB NC(=O)Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)cc1 69393850 BWPXPCPEDKQHNR-AWEZNQCLSA-N 347.440 1.355 0 40 EDAB O=C(CCNCC(F)(F)F)N1CCCN(c2cccnn2)CC1 71871674 ANTHURFNANGHDG-UHFFFAOYSA-N 331.342 1.057 0 40 EDAB COC(=O)C[C@H](NC(=O)C(=O)Nc1cnccc1C)c1ccccc1 71857622 ZACFUFTZLYXYCB-AWEZNQCLSA-N 341.367 1.749 0 40 EDAB Cc1ccc(N2CCC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)nn1 71859826 LZFXURLGQCLRKZ-HNNXBMFYSA-N 341.463 1.892 0 40 EDAB COC[C@@H](C)NC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 69438904 VOJOCJDYNXFFMT-OAHLLOKOSA-N 348.447 1.059 0 40 EDAB c1ccc(Cc2nnc(CN3CCO[C@H](Cn4cccn4)C3)o2)cc1 69418089 XHIGIUCOLKYUQY-INIZCTEOSA-N 339.399 1.758 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1cncn1-c1ccc(F)cc1)C2 69451848 SRMIFIPYNAETDB-UHFFFAOYSA-N 326.335 1.567 0 40 EDAB CCc1noc([C@H](C)N2CCN(CC(=O)N3CCC[C@H](C)C3)CC2)n1 69420737 VMMZLGHJCPRBQA-GJZGRUSLSA-N 349.479 1.569 0 40 EDAB CC[C@](C)(NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)C(=O)OC 69451207 GXTYNEWYTVDTGI-HNNXBMFYSA-N 342.417 1.438 0 40 EDAB FC(F)(F)Cn1ccnc1CNC[C@@H]1CCCN1c1cccnn1 71859940 XFNACIXHJMKTDF-LBPRGKRZSA-N 340.353 1.994 0 40 EDAB CCc1nnc(CN2CCN(C[C@H](O)c3ccc(F)cc3)CC2)n1C 71864046 CMMDPLCBMGCXPV-INIZCTEOSA-N 347.438 1.368 0 40 EDAB CC(=O)NCCCNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C 71897569 OLEAFIXVAFHDGM-OAHLLOKOSA-N 332.448 1.429 0 40 EDAB Cc1ccc(C)c(CC(=O)N2CCN(CCS(C)(=O)=O)CC2)c1 71889082 ZCTVSVHASCRMLG-UHFFFAOYSA-N 338.473 1.035 0 40 EDAB CCn1ccnc1CN1CCN(CC(=O)NC(C2CC2)C2CC2)CC1 69510876 MAMWLHFMGRFWQR-UHFFFAOYSA-N 345.491 1.325 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C(N)=O)C1 69594089 PNYJLBVAMHXIIO-RYUDHWBXSA-N 325.409 1.110 0 40 EDAB CCNC(=O)CN(CC)C(=O)NCc1cccc(N2CCCC2=O)c1 69587268 TVDHHOWCDGSUNL-UHFFFAOYSA-N 346.431 1.481 0 40 EDAB COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1Cc1ccccc1 69501062 GCYHVFLXTASQEQ-MOPGFXCFSA-N 345.487 1.878 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2CC(=O)NC2CCOCC2)n1 69620968 FDFHVOGQVUHCQH-MRXNPFEDSA-N 335.452 1.045 0 40 EDAB COc1ccc(C(=O)NCCN2CCN(C(=O)[C@H]3C[C@H]3C)CC2)cc1 69740712 KZEPEQSPRMRGLH-PBHICJAKSA-N 345.443 1.225 0 40 EDAB Cc1cc(C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)on1 69813721 GBJAGUZTQYLLLW-AWEZNQCLSA-N 325.328 1.816 0 40 EDAB C[C@H](O)CN1CCN(C(=O)Cc2csc(C(C)(C)C)n2)CC1 69870726 KDNIREFTHWDJMC-LBPRGKRZSA-N 325.478 1.508 0 40 EDAB Cc1cccc(OCC(=O)N2CCCN(c3cccnn3)CC2)c1 69845827 DUVAGEKGKNRFGH-UHFFFAOYSA-N 326.400 1.903 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 69947343 FEUQKVCBUPUWHB-UHFFFAOYSA-N 342.443 1.460 0 40 EDAB COc1ccc2c(ccn2CC(=O)N2CCN(CC(C)(C)O)CC2)c1 69947929 BEPXGELEEBEUKG-UHFFFAOYSA-N 345.443 1.565 0 40 EDAB COC(=O)[C@@H](NC(=O)CCn1ncc(=O)c2ccccc21)C(C)(C)C 71916094 GATGFWBUWJYMGB-MRXNPFEDSA-N 345.399 1.491 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cnn(C)c2)c1C 8728846 CSIUCXUOUJXCPC-JTQLQIEISA-N 333.344 1.580 0 40 EDAB CCn1c(SCc2cc(=O)n(C)c(=O)n2C)nnc1-c1ccco1 8727929 PMZBXADCEWKVTQ-UHFFFAOYSA-N 347.400 1.248 0 40 EDAB CC(C)(C)[C@H](O)CNC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 71900738 QKOXQTZXJRHWFM-CYBMUJFWSA-N 348.403 1.267 0 40 EDAB C[C@@H]1CCc2ccccc2N1C(=O)CN1C(=O)[C@@H]2CCCN2C1=O 8877687 DTAFZUZOQPXUGE-DOMZBBRYSA-N 327.384 1.781 0 40 EDAB Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H](CN)C1 94870892 QRQSJVZAULQKBR-QMMMGPOBSA-N 339.280 1.788 0 40 EDAB O=S(=O)(NC1(CCO)CCC1)c1cnn(-c2ccccc2F)c1 95462033 AMXHZJPFIQZOLT-UHFFFAOYSA-N 339.392 1.595 0 40 EDAB CN(C)C1(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)CCC1 95418273 HVNGKBADJVNZOJ-MSOLQXFVSA-N 343.471 1.583 0 40 EDAB C[C@@H](CNC(=O)N1CCCC[C@H]1CN1CCOCC1)Cn1cccn1 73815075 WENZKLHJGLKIEA-IRXDYDNUSA-N 349.479 1.416 0 40 EDAB CCCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1C 28207584 CIVRSWWUZBDBLO-UHFFFAOYSA-N 342.461 1.931 0 40 EDAB C[C@H](C(=O)Nc1cccc(F)c1)[S@@](=O)CCCC(=O)N(C)C 95965819 OMMZEFPQVWIUMP-RKFFSXRUSA-N 328.409 1.770 0 40 EDAB CN(CC(=O)N1CC[C@H]2[C@H](CCCN2C)C1)C(=O)c1cccs1 89375370 MFVGPWFCKRXIBA-KGLIPLIRSA-N 335.473 1.763 0 40 EDAB O=C1CC[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CN1 75140151 BPZJBYJJQPRKRT-OAHLLOKOSA-N 330.409 1.911 0 40 EDAB Cn1cc(CNS(=O)(=O)c2ccc(Br)c(F)c2)cn1 89755784 VHYBYSKSODXDDO-UHFFFAOYSA-N 348.197 1.800 0 40 EDAB CC(C)N(C[C@@H]1C[C@H]1C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 89922069 TYKMPZUMPOQDHO-OLZOCXBDSA-N 337.445 1.377 0 40 EDAB CC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(C)CC1 20141675 IDTLVKIESGLBRJ-CQSZACIVSA-N 344.419 1.149 0 40 EDAB COc1cccc(C(=O)Nc2nn(C)c3c2C[C@H](C)C(=O)N3)c1OC 35597728 FPALRPYYTRLYTJ-VIFPVBQESA-N 344.371 1.820 0 40 EDAB CCO[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 60066226 LBCLZKDZXZXDCJ-CYBMUJFWSA-N 338.429 1.761 0 40 EDAB O=C(CCN1CCSC1=O)N1CCC(CN2CCOCC2)CC1 47387269 MRSBXPSQZWRFKO-UHFFFAOYSA-N 341.477 1.116 0 40 EDAB COc1ccccc1OCCNC(=O)c1cccnc1-n1cncn1 31359032 IKDLVFHWHQOTJX-UHFFFAOYSA-N 339.355 1.480 0 40 EDAB O=C(NCc1nc(C2CC2)n[nH]1)[C@H]1CCN(Cc2ccccc2)C1 517173027 PNGLVIAGKMLHKS-HNNXBMFYSA-N 325.416 1.820 0 40 EDAB CCn1c(C)cc(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)c1C 527559774 CPCUFCFGKHVIRK-IPYPFGDCSA-N 331.420 1.527 0 40 EDAB CN1CCN(C(=O)CCCCCNC(=O)NC2CCCCC2)CC1 79361341 QMXXDEXXSXEOOL-UHFFFAOYSA-N 338.496 1.953 0 40 EDAB O=C([C@@H](CNCc1ccncc1)c1ccccc1)N1CCOCC1 78553769 WKAZSNIVXYPQPI-SFHVURJKSA-N 325.412 1.814 0 40 EDAB CCn1cc([C@H]2CN(C(=O)NCCc3c(C)noc3C)CCO2)cn1 188724601 ZXYAEWDVFLGOHV-MRXNPFEDSA-N 347.419 1.833 0 40 EDAB C[C@]1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCS(=O)(=O)C1 32971001 JVOGSUYMHVXBQO-LBPRGKRZSA-N 337.319 1.892 0 40 EDAB CS[C@@H](C)C(=O)Oc1cccc(NC(=O)CN2CCCC2=O)c1 78411111 CTEPEXYGOQEXHY-NSHDSACASA-N 336.413 1.904 0 40 EDAB C[C@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)Cn1cccn1 187722202 RLVICPHEUQBWEQ-HUUCEWRRSA-N 337.468 1.006 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@@]1(COC)C(=O)O 218087569 GDXYXEFNQZLUFE-UMVBOHGHSA-N 328.386 1.313 0 40 EDAB Cc1cc(C(=O)N2CC(C(=O)Nc3ccc4cn[nH]c4c3)C2)no1 70811588 VSCCISIJLDGWAS-UHFFFAOYSA-N 325.328 1.570 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)S1 73118970 HSKNCBHPAPHZSC-CYBMUJFWSA-N 343.456 1.672 0 40 EDAB Cc1cc(Nc2ncccc2C)nc([C@@H]2CCCN(CC(N)=O)C2)n1 72360946 POYJQFSUNRFSDF-CQSZACIVSA-N 340.431 1.897 0 40 EDAB CC[C@](CNC(=O)[C@H]1CCCS1(=O)=O)(C(=O)O)c1ccccc1 565225693 SATFCDSPDKTKLF-CZUORRHYSA-N 339.413 1.112 0 40 EDAB CCNc1nc(NCC)nc(NNC(=S)NCc2ccccc2)n1 73667119 XCXQDMXLLHPYRO-UHFFFAOYSA-N 346.464 1.726 0 40 EDAB COCc1ccc(CNC(=O)CN(C)[C@H](C)c2nc(C)no2)cc1 565665939 NDUSVPLNARBQFB-GFCCVEGCSA-N 332.404 1.834 0 40 EDAB COc1ccccc1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 71768188 RLJDPQFGSORMEK-UHFFFAOYSA-N 345.443 1.641 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCCCn2cccn2)[C@H]1c1cccs1 78061069 IJWRDRFMZKWSOK-DOMZBBRYSA-N 332.429 1.671 0 40 EDAB COC(=O)NCC(=O)NCC1(c2ccccc2Br)CC1 78171540 OVPQDULPHUJGGW-UHFFFAOYSA-N 341.205 1.953 0 40 EDAB O=C(NC[C@H]1CCCCS1(=O)=O)c1ccnn1-c1ccccc1 525827480 YRHYENISPHRYEV-CQSZACIVSA-N 333.413 1.569 0 40 EDAB O=C(CN1CSCC1=O)NC[C@H](c1ccco1)N1CCCCC1 20935843 UVEQAWVTRDZNND-CYBMUJFWSA-N 337.445 1.456 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CC[C@H](Oc2cnccn2)C1 225795603 ILWKSSIJLGAGTR-LBPRGKRZSA-N 327.340 1.541 0 40 EDAB COCC1CCC(Nc2ccc(S(N)(=O)=O)cc2C(=O)O)CC1 569224863 GPCFMQIPFKYSGT-UHFFFAOYSA-N 342.417 1.649 0 40 EDAB CC(C)c1noc(CCNS(=O)(=O)c2c[nH]c(C(C)C)n2)n1 80752489 ZMOKLSQNAQKFLE-UHFFFAOYSA-N 327.410 1.561 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)CNc2cc(C(F)(F)F)ccc2F)C1 85276278 ILACCAOIPYFZBR-VIFPVBQESA-N 347.312 1.980 0 40 EDAB CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccnc(C)c2)CC1=O 195530214 DUPXHTQKKDPCOK-GOEBONIOSA-N 330.432 1.661 0 40 EDAB C[C@H](CNC(=O)c1cc(N2CCOCC2)ccn1)Cn1cccn1 97104177 OCENROZRFZZWQR-CQSZACIVSA-N 329.404 1.181 0 40 EDAB CN(C)c1cccc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)c1 97103026 YLPACJCYKSQCPW-UHFFFAOYSA-N 344.459 1.907 0 40 EDAB COCCN1CC[C@@]2(COCCN(C(=O)Cc3ccccc3)C2)C1 96201997 VCHGHNRUGASXKE-LJQANCHMSA-N 332.444 1.426 0 40 EDAB COC[C@@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1ccccc1F)C2 96217637 LNBDEBWIJHXECI-XJKSGUPXSA-N 342.436 1.415 0 40 EDAB COCCN(C)c1ccc2ccc(C(=O)N3CC[C@H](N(C)C)C3)cn12 96146127 XXZPTYJEVZWMSL-KRWDZBQOSA-N 344.459 1.798 0 40 EDAB Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCOCC1 95474064 LSXJLSDBJSGMNC-UHFFFAOYSA-N 335.448 1.299 0 40 EDAB O=C(c1n[nH]c2c1CCN(Cc1ccccc1)C2)N1CCOCC1 96187452 PAAJNLMPQZWTLV-UHFFFAOYSA-N 326.400 1.440 0 40 EDAB O=C(CCc1cccc(F)c1F)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617786 RXDPBXLVMCWDMC-INIZCTEOSA-N 336.342 1.526 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1nccs1)C2)c1cccnc1 96209394 RXFSVCVPYNRRNB-PBHICJAKSA-N 344.440 1.417 0 40 EDAB O=C(Nc1nnc(-c2ccco2)s1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 579911545 PWLXBUMUSSABIC-XVPYXCLNSA-N 332.385 2.031 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1)c1ccc(F)cc1 238834979 GOJOKSFBTUZTBP-WCQYABFASA-N 329.375 1.902 0 40 EDAB Cc1ccc(N[C@@H]2CO[C@]3(CCN(Cc4cnn(C)c4)C3)C2)nn1 96072773 LYEZDWOAYCKQQR-DOTOQJQBSA-N 328.420 1.364 0 40 EDAB Cc1nnc(Cn2cc(I)cc(C)c2=O)o1 95441088 JMIPIHIVKKKTKF-UHFFFAOYSA-N 331.113 1.501 0 40 EDAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CN1CCOCC1 248098423 YZRQMPQBKRVBBJ-SJLPKXTDSA-N 329.444 1.462 0 40 EDAB Cc1cc(C(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)nc(O)n1 257257518 KPZIJWZVBHBXLE-ZDUSSCGKSA-N 327.388 1.627 0 40 EDAB O=C(N1CC[C@](O)(CN2CCOCC2)C1)C1(c2ccccc2F)CC1 257306635 SVCLYMFIBKOAGD-SFHVURJKSA-N 348.418 1.153 0 40 EDAB O=C(CCNC(=O)OCC(F)(F)F)NCc1cn2ccccc2n1 63663334 HBWYQAOIQNDEFR-UHFFFAOYSA-N 344.293 1.629 0 40 EDAB COc1ccc([C@H]2CN(Cc3nccn3C)CCN2C(C)=O)cc1 257253954 KAZXTJLDVFLZBK-QGZVFWFLSA-N 328.416 1.834 0 40 EDAB Nc1cc(CC[C@@H]2CN(C(=O)CCn3ccnc3)CCO2)ccn1 257239988 HRQLBRCECTUECT-OAHLLOKOSA-N 329.404 1.111 0 40 EDAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2F)[C@H]1O 257322583 WGOYGIIKJZKXDF-IIDMSEBBSA-N 347.390 1.980 0 40 EDAB O=C(Cc1cccs1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257248619 JEMAGBRZFNUXLV-OAHLLOKOSA-N 344.427 1.985 0 40 EDAB Cc1cnc([C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)cn1 257257738 KQWREHBGNUKZMY-KRWDZBQOSA-N 340.431 1.749 0 40 EDAB Cc1ncc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)c(C)n1 257299067 ROQADNDOCVUSFX-IRXDYDNUSA-N 342.399 1.533 0 40 EDAB C[C@H]1O[C@@H](c2ccccc2)C[C@@](O)(CNC(=O)c2cscn2)[C@@H]1O 257251121 JPLOMYJJLPAXJQ-BNGXUDDSSA-N 348.424 1.515 0 40 EDAB CN(C(=O)c1cc(O)nc(O)n1)[C@@H]1CCCN(c2ccccn2)C1 257238767 HMLCVLVHCAWLGS-LLVKDONJSA-N 329.360 1.024 0 40 EDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3c(C)noc3C)C2)ncn1 257285476 PHFVWLLGFVMGHW-KRWDZBQOSA-N 345.403 1.103 0 40 EDAB Cc1cnc([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)s1 257219043 DFKSOLFBLNTFHB-GFCCVEGCSA-N 331.463 1.208 0 40 EDAB CCCS(=O)(=O)N1CCN(C)[C@@H](c2cccc(C(=O)NC)c2)C1 257306139 STBSLDJAXSETEE-OAHLLOKOSA-N 339.461 1.075 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257339934 ZDVFTGNFLAKJAT-HNNXBMFYSA-N 330.388 1.841 0 40 EDAB CC(=O)N/C(=C\c1cnc(C)[nH]1)[C@@H]1CCCCN1S(C)(=O)=O 257244103 IJVRSZFQTYEMKQ-MQJVFOOVSA-N 326.422 1.009 0 40 EDAB C[C@](CNC(=O)[C@@H]1COc2ccccc2O1)(C(=O)O)c1ccccc1 263340175 XFOPPPHWRIUUSZ-QFBILLFUSA-N 341.363 1.985 0 40 EDAB O=C([C@@H]1NCCOc2ccccc21)N1CCN(c2ccccn2)CC1 1615614793 KWTJYRAJSAIEEB-GOSISDBHSA-N 338.411 1.454 0 40 EDAB COC(=O)[C@H](CCn1nnnc1C(C)C)NC(=O)OC(C)(C)C 1615610506 KEUTZSYESLHYKK-JTQLQIEISA-N 327.385 1.253 0 40 EDAB COC(=O)c1c(NC(=O)CCCn2cncn2)c2ccccc2n1C 1615587314 ZAZSTCFZOAZMGR-UHFFFAOYSA-N 341.371 1.975 0 40 EDAB CC(C)n1cc(CNC(=O)N(C)Cc2ccsc2)c(O)nc1=O 1615545820 KBDCCRKBVWBWII-UHFFFAOYSA-N 336.417 1.933 0 40 EDAB N[C@]12CCC[C@H]1CN(C(=O)C1(n3cc(Br)cn3)CC1)C2 1615549076 VBPARDQCTZKEQN-GWCFXTLKSA-N 339.237 1.475 0 40 EDAB O=C(O)[C@@]1(O)CCCN(S(=O)(=O)CCc2cccc(Cl)c2)C1 1615588637 RWTGCAIVDSODFS-CQSZACIVSA-N 347.820 1.124 0 40 EDAB Cc1ccoc1C(=O)N1Cc2ccnn2[C@H](CN2CCCC2=O)C1 575406431 PKJBXCKAEFAUKQ-CQSZACIVSA-N 328.372 1.604 0 40 EDAB CN(C)c1nc(CNC(=O)/C=C/c2ccccc2F)nc(N(C)C)n1 575608636 WMWJWUFVVJJCDE-MDZDMXLPSA-N 344.394 1.472 0 40 EDAB CC(C)CC(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CCO2)C1 585093704 XDRVXGRZYHWJCG-HNNXBMFYSA-N 338.448 1.432 0 40 EDAB CCC(CC)NC[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O 585286330 YYHSFOPIRHWQNU-ICSRJNTNSA-N 348.487 1.722 0 40 EDAB O=C(NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O)C1CCOCC1 585286393 XNEIAXOUNRGZON-KBRIMQKVSA-N 337.391 1.887 0 40 EDAB COCCN1CCC[C@]2(CCCN2C(=O)c2snnc2C)CC1 585099974 BSXAHTBIJGDASO-INIZCTEOSA-N 338.477 1.954 0 40 EDAB COCCN1CC[C@]2(CN(C(=O)C3=CCCC3)CC(F)(F)C2)C1=O 585093259 MEUWEJFOEDFZFO-INIZCTEOSA-N 342.386 1.829 0 40 EDAB COCc1nnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@H](C)C2 585096786 AMGVVOXEELDVCR-LLVKDONJSA-N 344.371 1.240 0 40 EDAB COCCN1CC[C@@]2(CN(Cc3cc(C)[nH]n3)CC(F)(F)C2)C1=O 585093476 YRWQTCUIYCWDID-OAHLLOKOSA-N 342.390 1.424 0 40 EDAB CCOC(=O)N1CCN(Cn2nc(-c3ccccc3)oc2=O)CC1 29498789 PQJGXROCKIWEOK-UHFFFAOYSA-N 332.360 1.235 0 40 EDAB O=C(NCCN1CCCCCC1=O)[C@H]1CCCN1C(=O)C1CCCC1 69379928 TVPHQEGXQCKWTQ-MRXNPFEDSA-N 349.475 1.686 0 40 EDAB Cc1ccc(OCC(=O)N2CCC(CN3CCOCC3)CC2)cc1 36103481 LXLVOFTUUBLBJP-UHFFFAOYSA-N 332.444 1.945 0 40 EDAB C[C@](O)(CNC(=O)c1cnn2c(-c3cccnc3)ccnc12)C1CC1 585122271 VGSTXEVYJPBADK-SFHVURJKSA-N 337.383 1.682 0 40 EDAB CC(C)(C)NC(=O)NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 5253430 TWTTZGJWOZQTNB-UHFFFAOYSA-N 336.779 1.674 0 40 EDAB Cn1ccnc1C1(O)CCN(CC(=O)Nc2cccc(F)c2)CC1 12114431 MBUOKCGNOROJLK-UHFFFAOYSA-N 332.379 1.481 0 40 EDAB C[C@@H]1CCc2c(sc3ncn4c(=O)n(CCC(N)=O)nc4c23)C1 12145254 SXALXQWNCINAAA-MRVPVSSYSA-N 331.401 1.106 0 40 EDAB Cc1cnc(C(=O)N2Cc3ccccc3O[C@H](CN(C)C)C2)cn1 12235112 ZQMXFKUGLHIPAS-OAHLLOKOSA-N 326.400 1.750 0 40 EDAB COc1ccc(CCNC(=O)c2cc(F)ccc2-n2cnnn2)cc1 12389067 ZZVTVLHRELVYCL-UHFFFAOYSA-N 341.346 1.783 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCc2cnn(C)c2C)c1 14249367 AJMJHYUOJWMTFE-UHFFFAOYSA-N 325.390 1.224 0 40 EDAB O=C(O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCCCC2)no1 15672806 LSALLSKRNIUIQQ-STQMWFEESA-N 335.404 1.544 0 40 EDAB biogenic,in-vitro Cc1ccc(S(=O)(=O)NNc2nc3ccccc3[nH]c2=O)cc1 16310398 ZELAJNXRXOLBSJ-UHFFFAOYSA-N 330.369 1.537 0 40 EDAB O=C(c1cn[nH]c1)N1C[C@@H](O)[C@@]2(C[C@H](c3cccc(F)c3)CO2)C1 643585977 KDXBHAIVGPUQHC-XGWLTEMNSA-N 331.347 1.308 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(C)CC1 22999767 IUDKHUCGXZAVBL-UHFFFAOYSA-N 332.853 1.969 0 40 EDAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)CC)CC2)cc1 23233623 SWWWXIAOOZVGHI-UHFFFAOYSA-N 344.419 1.115 0 40 EDAB C[C@H]1CN(CCCNC(=O)c2cc3nc[nH]c3cc2F)CCCO1 581007866 HJSXDPUHRBLBMH-LBPRGKRZSA-N 334.395 1.933 0 40 EDAB COc1cc(CN2CCO[C@@H](C(=O)N3CCCCC3)C2)cc(OC)c1 1888849958 WHGCCBHUGXXBKL-GOSISDBHSA-N 348.443 1.917 0 40 EDAB CN=c1[nH]c([C@@H]2CCCN2C(=O)Cn2ccnc2C)c2sccn12 2037838297 BHLXBHCYZQZGKS-LBPRGKRZSA-N 344.444 1.728 0 40 EDAB COCCC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037841157 YNEJTBPXAXCQDI-SFHVURJKSA-N 332.400 1.448 0 40 EDAB COCCC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037905585 LAGOQENBLCCKNY-QGZVFWFLSA-N 325.380 1.985 0 40 EDAB Cc1ccn2c(=O)nc(SCC(=O)NCc3ccccc3)nc2c1 4503866 FXVGGPRTINSMKN-UHFFFAOYSA-N 340.408 1.806 0 40 EDAB Nn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nncc1=O 12348244 OXQXWPXQRMRVSZ-UHFFFAOYSA-N 346.199 1.390 0 40 EDAB O=C(NC1CCCC1)[C@H]1CCc2c(C(=O)N3CC(F)C3)ncn2C1 2055716099 ZCQPDIKMPACTEO-NSHDSACASA-N 334.395 1.298 0 40 EDAB COC[C@@](C)(CNS(=O)(=O)c1ccc(-n2cccn2)cc1)OC 618254928 HVGFUPKVMKQLBO-OAHLLOKOSA-N 339.417 1.202 0 40 EDAB C[C@H](NC(=O)c1cn(C[C@@H](O)c2cccs2)nn1)c1ccncc1 575605675 CJVRFQFRNVTROV-SMDDNHRTSA-N 343.412 1.959 0 40 EDAB O=C(Nc1nc[nH]n1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 10435150 CSSVBFLPNVACGU-UHFFFAOYSA-N 349.416 1.622 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCN(c3ncccn3)CC2)n1 31480993 RIIKAUHDPIYMEW-UHFFFAOYSA-N 330.392 1.264 0 40 EDAB O=C(NCc1nnc2n1CCC2)C1=Cc2cc(Cl)ccc2OC1 40490022 YPCNBYAHRZLGMF-UHFFFAOYSA-N 330.775 1.970 0 40 EDAB C[C@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C[C@@H](C)O1 40536478 PBRUFHAKQXKNHF-BETUJISGSA-N 328.434 1.673 0 40 EDAB C[C@H]1CN(CCNC(=O)c2cnn(C)c2-n2cccc2)C[C@@H](C)O1 40521154 CBEKEBFDTZFAJE-OKILXGFUSA-N 331.420 1.050 0 40 EDAB O=C1CCc2cc(OCC(=O)N[C@@H]3CCN4CCCC[C@H]34)ccc2N1 40534774 SXXFJYCHVNKKDJ-IAGOWNOFSA-N 343.427 1.693 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(F)c(Cl)c1 40540032 XLDUKZQWENWDHW-ZJUUUORDSA-N 349.811 1.937 0 40 EDAB Cc1cc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)on1 32171070 NMRRHXJGGVDSKC-UHFFFAOYSA-N 338.385 1.583 0 40 EDAB CCc1noc([C@H](C)N2CCN(CC(=O)Nc3ccccc3)CC2)n1 32760338 BVYZTAYFQIADQT-AWEZNQCLSA-N 343.431 1.949 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 32845815 JWDHFEHLNXUYGA-SNVBAGLBSA-N 340.807 1.685 0 40 EDAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccoc2)c(C)c1 53038239 OZLGELGYRVYESL-UHFFFAOYSA-N 336.413 1.881 0 40 EDAB CN1N=C(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC1=O 22463765 KVCYRQXUPKJSLO-INIZCTEOSA-N 328.416 1.548 0 40 EDAB Cc1nc2ncnn2c(O)c1NC(=O)c1cncc(Br)c1 428290 HSJGMMFKRNLRDU-UHFFFAOYSA-N 349.148 1.548 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@H]1C(=O)N(C)C 77582518 RINONQWWWTYVIB-NSHDSACASA-N 345.428 1.601 0 40 EDAB COC(=O)N1CCN(C(=O)Cc2ccccc2Br)CC1 78752528 HGEKMWLYGXDDFH-UHFFFAOYSA-N 341.205 1.902 0 40 EDAB CCOC(=O)[C@@H](C)CNS(=O)(=O)c1ccc2oc(=O)ccc2c1 79112610 LYPRVXYOKYBTCM-JTQLQIEISA-N 339.369 1.271 0 40 EDAB CCc1ccc(OCC(=O)OCCNC(=O)c2cccnc2)cc1 2679831 HBOGMMOFPFYGEX-UHFFFAOYSA-N 328.368 1.996 0 40 EDAB Cc1cc(N2CCN(C(=O)c3cnsn3)CC2)nc(C(C)C)n1 47623799 AUXJRUBVRCSQFZ-UHFFFAOYSA-N 332.433 1.722 0 40 EDAB CCOC(=O)[C@H]1C(=O)Nc2nc(N)nc(O)c2[C@H]1c1ccccc1 4945500 VIFQPTFOAGUUAQ-MWLCHTKSSA-N 328.328 1.028 0 40 EDAB C[C@H]1C(=O)NCCN1C[C@H](O)COc1ccccc1C(F)(F)F 97085896 KLCLTNDNPACFJO-QWRGUYRKSA-N 332.322 1.265 0 40 EDAB CCOc1cc2c(cc1CN[C@H]1CCS(=O)(=O)C1)O[C@@H](C)C2 72712753 HGICHLNNLIHCSW-FZMZJTMJSA-N 325.430 1.685 0 40 EDAB CCOc1ccc(-n2c(SCC(N)=O)nc3[nH]ncc3c2=O)cc1 51316519 AIAKQAUAVKXRMC-UHFFFAOYSA-N 345.384 1.085 0 40 EDAB Cc1cccc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCCC3=O)C2)n1 107713070 XROHDVBSBDDFNP-WDYCEAGBSA-N 329.444 1.992 0 40 EDAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)CC3(CCCC3)C2=O)c1 24101769 LEMOOQMYVQXKQW-OAHLLOKOSA-N 345.395 1.948 0 40 EDAB O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 8378984 RTGNSFAFIUJZHC-RDBSUJKOSA-N 335.356 1.395 0 40 EDAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCSCC2)C1 57912963 ATYXQHMDLBGYSH-HNNXBMFYSA-N 347.440 1.760 0 40 EDAB Cc1cc(C)n2nc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)nc2n1 43271275 BPZZUFQKJIIFGQ-ZDUSSCGKSA-N 341.375 1.369 0 40 EDAB O=C(CCc1cc(F)ccc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269420 CFUOIXXCTPLSSP-IAGOWNOFSA-N 338.398 1.955 0 40 EDAB COCCN1CCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@@H]1C 106868241 LCQWOVSSWQFIJE-QWHCGFSZSA-N 340.855 1.715 0 40 EDAB Cc1ccc(OCC(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 106872984 ACVVNKAIKGVJEY-WRFANHODSA-N 340.379 1.521 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCOc1ccc2c(c1)CCC2 56009861 BVRCZHAVWNHEQK-SUMWQHHRSA-N 330.428 1.833 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)N[C@H](c3nccs3)C3CC3)C2)cn1 107144702 SDDTZPLXUNBELP-OCCSQVGLSA-N 346.460 1.906 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(CCO[C@@H]3CCCC[C@H]3C)C2)C1=O 107354384 MZUSIXLBNRBPKO-RKVPGOIHSA-N 337.464 1.986 0 40 EDAB C[C@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccccc1F 25804243 IGFLOYDHTJITIH-JTQLQIEISA-N 347.375 1.507 0 40 EDAB COc1ccccc1CNC(=O)CN1CCN(c2nccs2)CC1 35266987 JAVXHLNQQYDKFC-UHFFFAOYSA-N 346.456 1.590 0 40 EDAB CC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)CC1 35269364 JNZCDXCBHWUJRT-SNVBAGLBSA-N 327.787 1.970 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3ccc(NC4CC4)nc3)CC2)no1 57191627 NGJQBQYIMKVHBS-UHFFFAOYSA-N 341.415 1.910 0 40 EDAB CCCn1c(=O)c2sccc2n(CC(=O)N2CCCCC2)c1=O 57485867 DPJMDDGNEFOFIE-UHFFFAOYSA-N 335.429 1.647 0 40 EDAB Cc1nn(CC(=O)N[C@H](CC(C)C)C(=O)N(C)C)c(C)c1Cl 57487829 XKAVGEDGXQDUKO-GFCCVEGCSA-N 328.844 1.772 0 40 EDAB Cc1cnc(N2C[C@H]3O[C@H](C[C@H]3C(=O)Nc3cccnc3)C2)nc1 107264733 FXKAAXPSAAZMIO-RBSFLKMASA-N 325.372 1.412 0 40 EDAB C[C@@H]1CN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C[C@@H](C)O1 48274504 CSWLETRHCXNFBO-CHWSQXEVSA-N 339.399 1.718 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCO2 44891118 ACLSWDGSXKIDGY-JQWIXIFHSA-N 340.401 1.005 0 40 EDAB COc1ccc(CNS(=O)(=O)c2cnn(-c3ccccc3)c2)cn1 58265513 KNRCBGVOINRMCO-UHFFFAOYSA-N 344.396 1.754 0 40 EDAB Cc1c(CC(=O)N[C@@H](C)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2118024 USHPDUYFIHIJJY-ZETCQYMHSA-N 339.731 1.592 0 40 EDAB biogenic C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 102833366 CIDZZCGOOOAFQZ-FPCVCCKLSA-N 333.476 1.624 0 40 EDAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)[C@@H]1CCCO1 27909017 XSYDHIHXBBTPAD-OBJOEFQTSA-N 346.383 1.452 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)CCCn1nnc(-c2ccccc2)n1 58401260 UDSYBNVTNHDSHV-MRXNPFEDSA-N 342.447 1.721 0 40 EDAB Cc1cc(=O)n(CC2(O)C[C@H]3CC[C@H](C2)N3)nc1-c1ccccc1 100736839 HMLQXPOFYBOJGR-HZPDHXFCSA-N 325.412 1.864 0 40 EDAB CC(C)CCN1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 101827033 TZEYPSBFIQCFNL-UHFFFAOYSA-N 332.448 1.830 0 40 EDAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccccc1 10833903 JVZNECBIWLGNMP-HNNXBMFYSA-N 348.424 1.907 0 40 EDAB CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 100634776 ZRPJZVCYFPIXTC-IUVQAAGXSA-N 327.380 1.840 0 40 EDAB CC(=O)N1CCN(CC(=O)Nc2ccnn2Cc2ccccc2)CC1 28904114 XJGZCXOOCMRPOR-UHFFFAOYSA-N 341.415 1.034 0 40 EDAB CCCNC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 3352911 MCHZNHHIIVRMTF-CQSZACIVSA-N 328.372 1.157 0 40 EDAB O=C(NCCCn1cccn1)C1CCN(C(=O)N2CCCC2)CC1 60490475 WSMKUZJUZNKYGU-UHFFFAOYSA-N 333.436 1.317 0 40 EDAB CC(=O)N1CCN(C(=O)NCc2ccnc(N3CCCC3)c2)CC1 48303260 SPPBZTFXXDXHDW-UHFFFAOYSA-N 331.420 1.056 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)[C@@](F)(Cl)C(F)(F)F)cc1 2766134 VCNRJVXOHUBVGM-QMMMGPOBSA-N 334.678 1.739 0 40 EDAB COc1ccc(CN2C(=O)CO[C@H]3CN(c4ncccn4)C[C@H]32)cc1 67897382 PLKAAQTZQVFUQG-CVEARBPZSA-N 340.383 1.101 0 40 EDAB biogenic,in-vitro COc1ccc(/C=C/C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1F 12816700 DGRBEQXMKOZQAL-DRDHIDPGSA-N 327.377 1.541 0 40 EDAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)N1CCOCC1 3590686 VEJVOZJORQTKSU-UHFFFAOYSA-N 340.401 1.339 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)o1 72235613 OHIGGLVQLWQYKT-AWEZNQCLSA-N 345.403 1.601 0 40 EDAB CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)N2NC(CCCO)=NC2=N1 13121897 UEYYGIJFLNZPOT-AWEZNQCLSA-N 347.806 1.501 0 40 EDAB Cc1nc(CN2CCN(Cc3cnc4c(C)cccn34)CC2)no1 93274215 JSFNXWMQOBEHSU-UHFFFAOYSA-N 326.404 1.652 0 40 EDAB Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](C)C(=O)O)cc2oc1=O 4045142 RXBKJGSJHGUFCN-WDEREUQCSA-N 333.340 1.766 0 40 EDAB biogenic CC(C)C[C@H]1COCCN1Cc1cnc(N2CCN(C)CC2)nc1 93340216 XXDURLRHBUOMGQ-KRWDZBQOSA-N 333.480 1.475 0 40 EDAB Cc1nnc(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)s1 84291764 XFJJTSROILBOSW-UHFFFAOYSA-N 341.444 1.694 0 40 EDAB NC(=O)CN(C(=O)Cc1cnn(-c2ccccc2)c1)C1CCCC1 65489800 FRTQSVGRYSFVPS-UHFFFAOYSA-N 326.400 1.671 0 40 EDAB CCOC(=O)N1CCC(NCCNC(=O)c2ccc(F)cc2)CC1 4498160 XZDFHPRXDQKPOH-UHFFFAOYSA-N 337.395 1.766 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 14159169 LSDLNZAYDFHOPN-HIFRSBDPSA-N 329.400 1.551 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(OC)CC2)cc1 9376089 APXHNUPEIGHNCF-UHFFFAOYSA-N 327.402 1.663 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 4778275 PDZOOIAAGGKPSN-NEPJUHHUSA-N 328.434 1.585 0 40 EDAB O=C(CNS(=O)(=O)c1c(F)cccc1Cl)NCc1ccco1 97146833 LLTNVPBHXIRJPR-UHFFFAOYSA-N 346.767 1.667 0 40 EDAB Cc1ccc(-c2nsc(NC(=O)[C@H]3CCS(=O)(=O)C3)n2)s1 66413204 VCHXLWKKNZZHKK-QMMMGPOBSA-N 343.455 1.948 0 40 EDAB CCn1c(S[C@H](C)C(=O)OC)nc2cc(S(N)(=O)=O)ccc21 6977211 MLEQWFBMDFWOTA-MRVPVSSYSA-N 343.430 1.357 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(S[C@H](C)C(=O)N(C)C)nc1 6981164 FPJKOGCHGPAHQE-LLVKDONJSA-N 345.490 1.681 0 40 EDAB CC(C)Oc1ccc(F)cc1NC(=O)N[C@@H]1CCS(=O)(=O)C1 67296869 QGZNSMFTCDLHNM-LLVKDONJSA-N 330.381 1.922 0 40 EDAB CCCCN(CC)C(=O)Cn1ccn(-c2ccccc2C)c(=O)c1=O 67320583 ABLFZGKMCBDMMT-UHFFFAOYSA-N 343.427 1.956 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc(C)cc1 7627471 FEMCBGSHSUGGLQ-CYBMUJFWSA-N 340.445 1.190 0 40 EDAB Cc1cc(NC(=O)COC(=O)CCn2c(=O)oc3ccccc32)no1 7621121 OWIUYALUBULLCZ-UHFFFAOYSA-N 345.311 1.463 0 40 EDAB COc1ccc([C@@H]2CCCN2CC(=O)N2CCNC2=O)c(OC)c1 7740990 GBPZXIWKXXNKFZ-AWEZNQCLSA-N 333.388 1.393 0 40 EDAB C[C@@H](OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)c1cnccn1 72310636 QMIGMUPRLWPDRO-GHMZBOCLSA-N 332.360 1.334 0 40 EDAB Cc1noc([C@H](C)NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)n1 71883675 SDCDKJDMXHSAPV-QMMMGPOBSA-N 344.371 1.712 0 40 EDAB CCCNC(=O)[C@H](C)N1CCN(C(=O)Cc2ccc(OC)cc2)CC1 69020938 WXRGMEGLLYAPRA-HNNXBMFYSA-N 347.459 1.297 0 40 EDAB Cn1c(=O)c2ccccc2n2c(COC(=O)C3CCCC3)nnc12 8393345 CFGPQWCOKGTPIB-UHFFFAOYSA-N 326.356 1.815 0 40 EDAB Cc1cc(C)cc(OCCN(C)c2nc3c(cnn3C)c(=O)[nH]2)c1 69433612 CYVSJWMRGZTXKP-UHFFFAOYSA-N 327.388 1.789 0 40 EDAB C[C@H](NC(=O)CNC(=O)Cn1cncn1)c1ccc(C(C)(C)C)cc1 69485677 NDDPATTYGBUFRV-ZDUSSCGKSA-N 343.431 1.569 0 40 EDAB C[C@H](O)CN1CCC(CNCc2cnn(-c3ccccc3)n2)CC1 69489519 VYIZNKHFMZWALR-HNNXBMFYSA-N 329.448 1.450 0 40 EDAB CN(CCN1CCOCC1)C(=O)Cc1coc(-c2ccccc2)n1 69464797 QXDOGDVLXAHMDC-UHFFFAOYSA-N 329.400 1.675 0 40 EDAB C[C@H](C(=O)N1CCCCCC1)[S@](=O)Cc1cccc(C(N)=O)c1 83888852 HSVRKYNLEZULIM-ZLOXQWCVSA-N 336.457 1.825 0 40 EDAB CCN(CCNC(=O)Cc1nc2ncccn2n1)C(=O)OC(C)(C)C 69595652 DHGFEHUPCLCZCY-UHFFFAOYSA-N 348.407 1.040 0 40 EDAB COc1cc(C(=O)N[C@@H]2CC(=O)N(C)C2)ccc1OC1CCCC1 69653395 QSVRTSVNGNJCAQ-CYBMUJFWSA-N 332.400 1.977 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CCCN1Cc1nc(-c2ccoc2)no1 69740328 QGMKFAVVPBUXEA-JTQLQIEISA-N 344.293 1.973 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@H](C)[C@@H]2CCCO2)c1 69895822 FDEFIINDIMLOIC-RISCZKNCSA-N 341.433 1.592 0 40 EDAB c1ccc(Cn2cc(CNC[C@@H]3CN(C4CC4)CCO3)cn2)cc1 69951406 VKDOWIZYKHBHOD-LJQANCHMSA-N 326.444 1.884 0 40 EDAB Cc1cccc(N2CCN(C(=O)C3CCN(C(N)=O)CC3)CC2)c1C 8747502 ZMOSCPLBLCPKTJ-UHFFFAOYSA-N 344.459 1.743 0 40 EDAB CC(C)(C)[C@@H](O)CNC(=O)c1cnn2cc(Br)cnc12 92603574 MSWVGPIGWZHTHC-JTQLQIEISA-N 341.209 1.629 0 40 EDAB C[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 97203081 XHXQKPDNNVHWHH-GFCCVEGCSA-N 334.397 1.598 0 40 EDAB O=S(=O)(NC1CCN(Cc2ccccc2F)CC1)[C@@H]1CCOC1 95398585 CYQOQAHVIIDJHT-OAHLLOKOSA-N 342.436 1.498 0 40 EDAB CN(C)c1nc(CNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1 95436307 ONRMTIMEBVEDQR-UPJWGTAASA-N 336.461 1.966 0 40 EDAB CN1C(=O)NC2(CCN(Cc3ncc(Cl)cc3Cl)CC2)C1=O 95992685 QXAWNDVRKSSTTO-UHFFFAOYSA-N 343.214 1.905 0 40 EDAB O=C(O)C1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 95970505 DZRZSJUWGPOXDL-CPCZMJQVSA-N 334.372 1.388 0 40 EDAB C[C@@H](OC(=O)C1(c2ccccc2)CCCC1)C(=O)N1CCNC1=O 9912134 BMFYVAODCFLOKN-CYBMUJFWSA-N 330.384 1.982 0 40 EDAB COc1ccc(OC)c([C@H](O)CN2CCn3c(nnc3C3CC3)C2)c1 89432508 XHFCYXSZINJEQQ-OAHLLOKOSA-N 344.415 1.722 0 40 EDAB Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)Cn1nc2ccccn2c1=O 75093474 SKIYBTKAXWCVPK-ZDUSSCGKSA-N 338.367 1.619 0 40 EDAB CCc1nnc(Sc2cc(C(F)(F)F)nc3ncnn23)n1C 75138979 FWPPZVMNWHVCFU-UHFFFAOYSA-N 329.311 1.985 0 40 EDAB CO[C@@H](CNC(=O)N1CCN([C@H](C)C(F)(F)F)CC1)C(C)C 89791341 OBFREJPFQFBQOF-NEPJUHHUSA-N 325.375 1.935 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 75602500 WJTNHVQGMLJUHG-OAHLLOKOSA-N 348.428 1.300 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 75606510 YUKNHROLGMXYMC-SJORKVTESA-N 332.444 1.604 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Nc1cnn(C)c1 76091709 YPILXEFBMSCWDD-HNNXBMFYSA-N 342.447 1.752 0 40 EDAB O=C(c1ccccn1)N1C[C@@H]2OCC(=O)N(CC3CCCCC3)[C@@H]2C1 67897456 ZWIBRGRBCXYQRJ-SJORKVTESA-N 343.427 1.714 0 40 EDAB biogenic,in-vitro C[C@H](C(=O)c1ccc(Cl)cc1)n1cnc2c1c(=O)[nH]c(=O)n2C 27525205 CIKMTHRIOPVLAL-MRVPVSSYSA-N 332.747 1.521 0 40 EDAB O=C(CNC(=O)c1ccccc1)OCc1noc(-c2ccco2)n1 23947155 HIRNZJQIDBYFJG-UHFFFAOYSA-N 327.296 1.803 0 40 EDAB COc1cc([C@H]2CC(=O)Nc3nc(N)sc32)c(OC)c2c1OCO2 35325393 KEXDMKUSMLOFLS-SSDOTTSWSA-N 349.368 1.945 0 40 EDAB CC(=O)c1cn(CCNC(=O)CCCn2cnnn2)c2ccccc12 524734616 VMBJBOOKTRVHST-UHFFFAOYSA-N 340.387 1.427 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@H](C)OCC2(C)C)c(OC)c1 36075993 SYCIETSWVIYCAL-NSHDSACASA-N 329.418 1.892 0 40 EDAB Cc1cc2nnc(SCC(=O)NCc3ccccc3)n2c(N)n1 35315257 PQFDJRUTRHWXED-UHFFFAOYSA-N 328.401 1.423 0 40 EDAB CC(C)[C@@H](C(=O)NCCc1n[nH]c(-c2ccco2)n1)N1CCCC1=O 78912150 DAXNZZLTPNUBPT-HNNXBMFYSA-N 345.403 1.370 0 40 EDAB Cc1nc(CN(C)CN2C(=O)NC(C3CC3)(C3CC3)C2=O)cs1 78393923 KDHJQMUDYAQGHP-UHFFFAOYSA-N 334.445 1.951 0 40 EDAB COCCS(=O)(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 72265432 KOZPSROOLWFOKE-UHFFFAOYSA-N 346.474 1.227 0 40 EDAB COc1ccc(OC)c(-c2ccc3nnc([C@H]4CCNC4)n3n2)c1 217559248 LYDYNZBILLYOQF-NSHDSACASA-N 325.372 1.885 0 40 EDAB Cc1ocnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc2c1CCC2 1062456751 TXQJRKKADOZYPR-RYUDHWBXSA-N 325.372 1.365 0 40 EDAB COc1cccc(CCC(=O)N2CCN(Cc3noc(C)n3)CC2)c1 78604090 YJCCFJWWBVSCRA-UHFFFAOYSA-N 344.415 1.664 0 40 EDAB O=C(O)c1ccc(NCCO)c(S(=O)(=O)NC2CCCC2)c1 217444163 BKJRQKAWJBDLDA-UHFFFAOYSA-N 328.390 1.010 0 40 EDAB CC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217417752 CXHFEPNJUBGNBG-GFCCVEGCSA-N 342.417 1.662 0 40 EDAB CNC(=O)Cn1c(=O)nc(-c2ccc(OC)cc2)c2nc(C)sc21 32615799 LILXTJGDXRSUPG-UHFFFAOYSA-N 344.396 1.583 0 40 EDAB O=C(c1c(F)cccc1F)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238821950 CVXMGKKCHMGWAC-VXGBXAGGSA-N 346.333 1.740 0 40 EDAB O=C(NCCn1nc(-n2cccn2)ccc1=O)c1ccccc1Cl 70640931 RGQDKLKUVUDRJB-UHFFFAOYSA-N 343.774 1.512 0 40 EDAB Cc1nn(-c2ccccn2)c(C)c1CNC[C@@H]1CC(=O)N(C2CC2)C1 563270845 BUCIBQJUUBWZLH-HNNXBMFYSA-N 339.443 1.985 0 40 EDAB CNCC(=O)N1CCC(c2cccc(CCC(=O)N(C)C)n2)CC1 72367001 BUPUKUHTFRMWNK-UHFFFAOYSA-N 332.448 1.028 0 40 EDAB Cn1cncc1CC(=O)N1CCN(Cc2ccccc2)C(=O)C1(C)C 564045939 YSBJOSKKLUOPQS-UHFFFAOYSA-N 340.427 1.612 0 40 EDAB CN1CCN(C(=O)[C@H]2CCC(=O)N2Cc2c[nH]c3ccccc23)CC1 223395080 FJRWRYMHTHZEOD-QGZVFWFLSA-N 340.427 1.433 0 40 EDAB O=S(=O)(CCc1ccccc1)NC[C@]1(O)CCOc2ccccc21 75158165 BVXSZSSYUVRUTJ-GOSISDBHSA-N 347.436 1.819 0 40 EDAB CCN1CN(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)CC1=O 190010766 KRQZKMBFUIHGIS-ZDUSSCGKSA-N 327.388 1.765 0 40 EDAB Cc1noc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)n1 44895723 AMTWBJGWPNIKKU-UHFFFAOYSA-N 340.430 1.850 0 40 EDAB Cc1noc(CCNC(=O)NC2CCN(c3nccs3)CC2)n1 225574372 JRRVFMVFKPQBOY-UHFFFAOYSA-N 336.421 1.345 0 40 EDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCNC[C@@](C)(F)C1 574039865 XFWXPYXHISKADV-CQSZACIVSA-N 332.445 1.403 0 40 EDAB COC(=O)[C@@H](c1ccccc1F)N1CC[C@@H](CN2CCOCC2)C1 195531766 BEKWMCZNPLVMRK-WMLDXEAASA-N 336.407 1.694 0 40 EDAB CCN1Cc2c(C(=O)NC(C)C)ncn2-c2ccccc2S1(=O)=O 96147353 BXJQVZQCEGPJCJ-UHFFFAOYSA-N 348.428 1.535 0 40 EDAB CCc1cnc(N2CC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)nc1 96072551 JFYVSGIACZAJDP-WMLDXEAASA-N 327.388 1.646 0 40 EDAB O=C(NCC1CC1)[C@H]1CN(C(=O)c2ccncc2)CC12CCOCC2 96052149 IPURJSOLKPGMQG-MRXNPFEDSA-N 343.427 1.477 0 40 EDAB COc1ccc(CN2C(=O)CO[C@@H]3CN(C4CCOCC4)C[C@H]32)cc1 96246439 NZHKGZHROBGEJH-QZTJIDSGSA-N 346.427 1.286 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1Cl 96193155 HYEGXYHAKYDQQJ-UHFFFAOYSA-N 332.809 1.248 0 40 EDAB c1ccc(CN2CCc3nnc(COc4ccccn4)n3CC2)nc1 96058881 OQVULFDPEMSFRB-UHFFFAOYSA-N 336.399 1.705 0 40 EDAB C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1cc(F)c(F)c(F)c1 96428112 YOKFEQFFKOVIFS-SEJYDQARSA-N 341.376 1.634 0 40 EDAB CS(=O)(=O)C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](CO)O1 96531722 METLYINLHNHIRK-SKDRFNHKSA-N 341.212 1.599 0 40 EDAB O=C(N[C@@H]1CN(CC2CCCC2)C[C@@H]2CCCO[C@@H]21)c1ccnnc1 96040667 QJNPWQUUAYKYIJ-KSZLIROESA-N 344.459 1.876 0 40 EDAB O=S(=O)(C1CC1)N1CCC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96048417 FNCSAXLWFJIEAX-WFASDCNBSA-N 338.433 1.004 0 40 EDAB COc1cc(N2CCOC[C@H]2c2nccc(N3CCCC3)n2)ncn1 96220061 YYDLAALRWOMUKM-ZDUSSCGKSA-N 342.403 1.453 0 40 EDAB CCOC(=O)c1ncn(C2CCN(C(=O)N(CC)CC)CC2)c1N 583651216 HIPJVISPLYODNQ-UHFFFAOYSA-N 337.424 1.741 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1C 583621323 PKBBCWWWUMMNPU-HUUCEWRRSA-N 345.374 1.484 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(CC2CCCC2)Cc2ncn(C)c21 96044882 LNFWECUYAIXXTQ-HNNXBMFYSA-N 334.464 1.614 0 40 EDAB c1nc(N2CC[C@]3(CCOC3)C2)cc(N2CC[C@@]3(CCOC3)C2)n1 97096979 CTFOIIZPYVKVEY-HDICACEKSA-N 330.432 1.710 0 40 EDAB CN(C)CC(=O)N1CC[C@H]2OCCC[C@]2(COCc2ccncc2)C1 96040208 UAEOBIHVOFJEEK-IEBWSBKVSA-N 347.459 1.558 0 40 EDAB CN(C)c1ccc(CCNC(=O)NCC[C@@H](O)C(F)(F)F)cc1 96413309 HEUZYMQQQWZGRP-CYBMUJFWSA-N 333.354 1.908 0 40 EDAB O=C1CCCN1Cc1nnc2n1CCN(Cc1ccc(F)cc1)C2 96058897 CJHQKTJYEHJALH-UHFFFAOYSA-N 329.379 1.555 0 40 EDAB CC(C)N1C(=O)C2(CCN(S(C)(=O)=O)CC2)c2cccc(F)c21 96261769 OZNWPVLZMACHSI-UHFFFAOYSA-N 340.420 1.874 0 40 EDAB O=C(c1cccnc1)N1CCOC[C@@]2(CC[C@H](CN3CCCC3)O2)C1 96063365 NFNUESOEHBMQSB-IEBWSBKVSA-N 345.443 1.568 0 40 EDAB c1cnc(N2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccncc2)nc1 96201022 PNQNJFIMXMEOEW-SJORKVTESA-N 325.416 1.394 0 40 EDAB C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ccc(OCC2CC2)nc1 585084953 RTQMBEZMRSEKFB-RHSMWYFYSA-N 345.443 1.806 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)Cc2ccnn21 247927527 DYJCGBVXDKILAN-OAHLLOKOSA-N 342.399 1.154 0 40 EDAB O=C(NC[C@@H](O)CN1CCOCC1)C1(C(F)(F)F)CCCCC1 585100447 WVSYCHDNEFWIOP-GFCCVEGCSA-N 338.370 1.309 0 40 EDAB CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](O)CC(C)(C)C1 585130895 FQNZHDZLRZGHDM-SJORKVTESA-N 348.443 1.449 0 40 EDAB C[S@](=O)(=NS(=O)(=O)NCC(F)(F)C(F)F)c1ccccc1 585137734 RFGWKQULDRAFRC-HXUWFJFHSA-N 348.343 1.878 0 40 EDAB CC(C)(C)NS(=O)(=O)C1(CNC[C@@H](O)c2ccccc2)CC1 585117420 BZNBKUHJZAKCOI-CQSZACIVSA-N 326.462 1.560 0 40 EDAB Cc1cc(CC2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)ccn1 257327423 XBGRREDGAFNDIU-MRXNPFEDSA-N 336.457 1.606 0 40 EDAB CO[C@@H]1CCCOC12CCN(C(=O)c1ccc(OCCN)cc1)CC2 257287308 PPJWKAIEWLJAFB-QGZVFWFLSA-N 348.443 1.824 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)C3(N)CCCC3)CC2)cn1 257283568 OYVXUGHIHOTGIO-UHFFFAOYSA-N 345.491 1.591 0 40 EDAB O=C(Cn1cc(Cl)cn1)NC[C@]1(O)CCCN(c2ccccn2)C1 257257530 KQAPMRBDJUZYBV-MRXNPFEDSA-N 349.822 1.079 0 40 EDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2c(C)noc2C)n1 257239974 HRPYCVGGIQPESV-OAHLLOKOSA-N 343.387 1.695 0 40 EDAB O=C(/C=C/c1ccco1)N1CCCSC[C@H]1CN1CCOCC1 85473293 CYQPHLJINIXALN-MBVDDHJVSA-N 336.457 1.959 0 40 EDAB CNCC(=O)N1CCC[C@H](c2cccc(CCC(=O)N(C)C)n2)C1 257257540 KQBIZOPDROWGPN-AWEZNQCLSA-N 332.448 1.028 0 40 EDAB CNCC(=O)N1CCC[C@@H](c2cccc(CCC(=O)N(C)C)n2)C1 257257541 KQBIZOPDROWGPN-CQSZACIVSA-N 332.448 1.028 0 40 EDAB CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1cnc(C)nc1C 276747878 RWDJHZKCZOJIFE-XJKSGUPXSA-N 329.404 1.817 0 40 EDAB O=S(=O)(C[C@@H]1CCCCO1)Nc1ccc(F)c(-c2nc[nH]n2)c1 279369933 LIALFVWKWMUDCJ-NSHDSACASA-N 340.380 1.922 0 40 EDAB CC(C)(C)OC(=O)[C@@]1(C(=O)N[C@H]2CS(=O)(=O)C2(C)C)CC1(C)C 603083896 RLEXBXFTGCNXQN-QFYYESIMSA-N 345.461 1.436 0 40 EDAB COC1(CC(=O)N[C@@H]2CCc3cc(C(=O)O)ccc3NC2=O)CCC1 1615056006 SNKGYORRAOMPNQ-CQSZACIVSA-N 346.383 1.714 0 40 EDAB Nc1ccn2ncc(C(=O)NC[C@H]3CC[C@@H](C(F)(F)F)O3)c2c1 1615548988 USINTYDOFAQOHK-SKDRFNHKSA-N 328.294 1.756 0 40 EDAB CCS(=O)(=O)c1ccccc1CC(=O)N[C@H]1C[C@@H](N)C12CCC2 1615555277 PKDLGXZQUXEIKF-CABCVRRESA-N 336.457 1.409 0 40 EDAB N[C@@H]1CC12CCC(NC(=O)c1ccc3c(c1)C(=O)NCCO3)CC2 1615546559 OYRPEBKDIDARCC-HBSPSFQMSA-N 329.400 1.199 0 40 EDAB CCn1ncnc1-c1ccc(C(=O)N2C[C@@H](N)C3(CCC3)C2)cc1 1615555919 ZSTPTUGWSKNJCO-OAHLLOKOSA-N 325.416 1.918 0 40 EDAB CC(C)(CNS(N)(=O)=O)NCc1csc(-c2ccsc2)n1 1616040771 WWPZFAJVYVCQST-UHFFFAOYSA-N 346.503 1.533 0 40 EDAB COC(=O)[C@@H]1C[C@@H]1CS(=O)(=O)NCCOC1CCCCCC1 1616038524 QSWANKDOXXXTRZ-TZMCWYRMSA-N 333.450 1.454 0 40 EDAB Cc1cc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)sn1 575604601 ADMAZDXMXWIDRH-UHFFFAOYSA-N 341.400 1.502 0 40 EDAB CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)Nc2ccncn2)n1 585140441 DRRITQUUTJQKAT-SNVBAGLBSA-N 347.379 1.680 0 40 EDAB CC(C)COCCc1cnc2n1CCN(C(=O)C1CC(O)C1)[C@H]2C 585096863 BSENSPOIJIUTTF-HLIUYOAVSA-N 335.448 1.772 0 40 EDAB O=C(C1CC(O)C1)N1CCc2[nH]nc(-c3cccc(F)c3)c2CC1 585110434 VGYJRPIKUDXWNT-UHFFFAOYSA-N 329.375 1.914 0 40 EDAB O=C(CCc1ccccc1)N1CC[C@](O)(CNC2CCCC2)[C@@H](O)C1 585283358 NQPAZVLFDGXGDJ-ICSRJNTNSA-N 346.471 1.476 0 40 EDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N2CCC(c3ccccn3)CC2)[C@@H]1O 585280767 SHSQEFVEILUAQQ-NXHRZFHOSA-N 345.443 1.405 0 40 EDAB CC(C)CC(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CCO2)C1 585093705 XDRVXGRZYHWJCG-OAHLLOKOSA-N 338.448 1.432 0 40 EDAB COC1CCN(C(=O)C[C@@H]2NC(=O)N(c3ccc(F)cc3)C2=O)CC1 71803449 WYSTWVXLQSHNQP-AWEZNQCLSA-N 349.362 1.278 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(c3cnccn3)C2)cn1 72255046 DLNKJDMXBQLEPW-ZBFHGGJFSA-N 340.431 1.790 0 40 EDAB O=C(NCc1ccccc1OC(F)F)N[C@H]1CCS(=O)(=O)C1 54976389 FPNJGQKUMVGKLZ-JTQLQIEISA-N 334.344 1.274 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)COc2ccc(CC(N)=O)cc2)no1 76043492 MCFYRCWYDMIENF-CQSZACIVSA-N 344.371 1.148 0 40 EDAB FC(F)(F)c1cc([C@@H]2CCCN(CCN3CCOCC3)C2)n[nH]1 76059624 OWNVOLFKWCXBJI-GFCCVEGCSA-N 332.370 1.940 0 40 EDAB Cc1nc(-c2cccc(C(=O)OCC(=O)Nc3cc(C)on3)c2)n[nH]1 76019211 PXMIQOUWIFQHBY-UHFFFAOYSA-N 341.327 1.872 0 40 EDAB Cc1cnc(CNS(=O)(=O)c2cc(Br)cnc2N)o1 89702353 UCYZVRDISPBYHU-UHFFFAOYSA-N 347.194 1.201 0 40 EDAB CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC 5978998 ISLKTCKDKJMDAX-QWHCGFSZSA-N 342.461 1.975 0 40 EDAB O=CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 13646901 GHRVWTXGOKUXQG-UHFFFAOYSA-N 337.228 1.597 0 40 EDAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)N2CCOCC2)cc1 13685071 IFDGOEYBKUBECO-HNNXBMFYSA-N 347.440 1.347 0 40 EDAB NNc1nc2ccccc2c(=O)n1-c1ccc(Cn2cnnc2)cc1 15424533 ADYWXNKQKXOLDN-UHFFFAOYSA-N 333.355 1.311 0 40 EDAB O=C(CN1CCOCC1)N1Cc2ccccc2OC2(CCOCC2)C1 19375575 LYFAQFMZJFVXFY-UHFFFAOYSA-N 346.427 1.289 0 40 EDAB O=C(C[C@@H]1C=CCC1)NCCn1nc([C@H]2CCNC2)c2nccnc21 19404459 MFAMTUZWEJBYPE-KGLIPLIRSA-N 340.431 1.376 0 40 EDAB Cn1c(-c2nc(-c3ccc(C(N)=O)nc3)no2)cc2ccccc2c1=O 583347401 MKZZQZOVWZLARB-UHFFFAOYSA-N 347.334 1.749 0 40 EDAB Cc1ncnc(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)c1F 1888853295 SJBJXOJIECKYMV-UHFFFAOYSA-N 343.406 1.953 0 40 EDAB CC1(C)C[C@H]1C(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888865784 YFRPDFDJQAFKAT-XQQFMLRXSA-N 326.404 1.065 0 40 EDAB Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCNC3=O)o2)c1 22237637 HQMTVPZJVJBAHQ-UHFFFAOYSA-N 332.385 1.997 0 40 EDAB COc1cc(CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)ccn1 24439057 OVZSOZPIDAWXDW-CQSZACIVSA-N 327.388 1.413 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCn2nc3c(c2C1)CCC3 240104251 UNIDRYQHQRMHPC-UHFFFAOYSA-N 345.424 1.511 0 40 EDAB CCn1cc(CN2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)cn1 2037981023 QUTQXSWWVCHHEP-GOSISDBHSA-N 334.464 1.895 0 40 EDAB COc1ccc(CCC(=O)NCCOCCn2cccn2)c(OC)c1 1565523298 LEPFMJXDEJCDQN-UHFFFAOYSA-N 347.415 1.666 0 40 EDAB Cc1ccc(NC(=O)Cn2cnc3c(nnn3C)c2=O)cc1Cl 13531149 HHBKUTXVZGJEPG-UHFFFAOYSA-N 332.751 1.126 0 40 EDAB Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccncc2)o1 2055750829 CPIARIBEPGIODN-DOTOQJQBSA-N 327.384 1.708 0 40 EDAB CCN1C[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C)CC3)C2)OCC1=O 2055785514 NUVDPOXXLCGJFG-MPGHIAIKSA-N 338.448 1.289 0 40 EDAB CC(C)(C)CNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713823 OYZOVTOTMYPZQQ-ZDUSSCGKSA-N 332.448 1.844 0 40 EDAB O=C(NCc1cccs1)N[C@H]1CCN(c2ccc3nncn3n2)C1 575618017 GNMDGUJTDNBVIZ-NSHDSACASA-N 343.416 1.264 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](OCCO)c1ccsc1 575622161 WYMHLJUTSLJALG-LBPRGKRZSA-N 346.430 1.381 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCN(c3cccnc3)C(=O)C2)cc1 606440524 OHNXMEWUHLUCOZ-UHFFFAOYSA-N 345.424 1.682 0 40 EDAB O=S1(=O)N=C(N2CC(c3nnc4ccccn34)C2)c2ccccc21 2298094950 CMBPYSXBDTZUIM-UHFFFAOYSA-N 339.380 1.278 0 40 EDAB COc1cc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)ncn1 2298187948 RTDHWHJJJJBHOP-LBPRGKRZSA-N 340.374 1.959 0 40 EDAB Cn1c(N2CCC(C(=O)N3CCSCC3)CC2)nc2cccnc21 2298192577 XULCVZJHNUVEQF-UHFFFAOYSA-N 345.472 1.760 0 40 EDAB CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38728966 GDCHVMGNQXZJST-HUUCEWRRSA-N 330.384 1.024 0 40 EDAB Cc1csc(=O)n1CC(=O)NC[C@H](c1ccsc1)N(C)C 25330552 AIYBQQGWNZOTHV-GFCCVEGCSA-N 325.459 1.699 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3c(F)cccc3Cl)C[C@@]23C=C[C@H]1O3 100018729 SOIQCTCZLBBALQ-IATRGZMQSA-N 337.734 1.846 0 40 EDAB C[C@@H](COc1ccc(F)cc1)NC(=O)NCCNc1ncccn1 50154523 VFIKEDWSIPDWFB-LBPRGKRZSA-N 333.367 1.794 0 40 EDAB CCN1C[C@H](CN(C)C(=O)CN2CCCC2=O)Oc2ccccc21 40467648 ZMRNTHAJGCRHJH-AWEZNQCLSA-N 331.416 1.355 0 40 EDAB COc1cccc(S(=O)(=O)Cc2cc(=O)n3ccccc3n2)c1 40555382 HOWOFLKLPZGHHM-UHFFFAOYSA-N 330.365 1.677 0 40 EDAB COCCn1nc(C)c(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)c1C 101386383 ZKIVBFSJDUHFES-MRXNPFEDSA-N 347.463 1.302 0 40 EDAB COc1ccc(C)cc1N(CC(=O)NC1CCCC1)S(C)(=O)=O 379904 LJOZWHQDKFPHEA-UHFFFAOYSA-N 340.445 1.828 0 40 EDAB O=S1(=O)CCN([C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1 52525227 UEIOKKDNWBRYNG-ZDUSSCGKSA-N 337.363 1.859 0 40 EDAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCc2ccccn2)c1 21773023 HXDNBGBOKPTUPC-UHFFFAOYSA-N 340.383 1.971 0 40 EDAB CN(C)c1ncccc1CNC(=O)NC[C@@H](O)COc1ccccc1 41491965 PTMCEAGAAVPLMW-OAHLLOKOSA-N 344.415 1.387 0 40 EDAB O=C(NCc1ccc2c(c1)OCCO2)c1cnc2n(c1=O)CCS2 46930648 AJBXKUWXNALUPV-UHFFFAOYSA-N 345.380 1.050 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(CC(=O)Nc3nccs3)CCO2)n1 78879704 YBDGUHPYVSUALF-JTQLQIEISA-N 336.421 1.397 0 40 EDAB CCN1C[C@@H](C(=O)NCC(=O)Nc2cccc3ccccc23)CC1=O 79336550 QNXGAYRDBPOLRA-AWEZNQCLSA-N 339.395 1.763 0 40 EDAB O=C(C1CCC(O)CC1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 6117229 OKTGUGBZQBTMHZ-VMBOVVBDSA-N 328.412 1.506 0 40 EDAB in-vitro Cc1ccc(Cl)cc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 6421537 JZIKXAIHXCRPHD-UHFFFAOYSA-N 335.835 1.919 0 40 EDAB Cc1nc2sccn2c(=O)c1S(=O)(=O)NCCc1ccccc1 6822929 ZEIJCYSGSXNDLH-UHFFFAOYSA-N 349.437 1.585 0 40 EDAB O=C1CC[C@H](C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)N1 72270365 OTDDAGFSPYOVHU-MRXNPFEDSA-N 349.862 1.947 0 40 EDAB C[C@H]1CCCN([C@H](C)CNC(=O)NCc2nnc3n2CCCCC3)C1 106095745 GKTSJVYVFWOCTH-LSDHHAIUSA-N 348.495 1.924 0 40 EDAB C[C@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)NC1CCCC1 24977064 ZSVOTMABKZGLEW-XHDPSFHLSA-N 331.368 1.759 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(OCc2cccnc2)cc1 24801309 YDJZGOPIAPAWLC-OAHLLOKOSA-N 346.408 1.578 0 40 EDAB COC(=O)C1(NC(=O)Cc2c(C)nc(C)[nH]c2=O)CCC(C)CC1 56115816 IJLUCVMFQKTHET-UHFFFAOYSA-N 335.404 1.167 0 40 EDAB O=C1CN(NC(=O)c2cc3c(s2)-c2ccccc2OC3)C(=O)N1 25612239 ARZMVZBWTWTTGA-UHFFFAOYSA-N 329.337 1.504 0 40 EDAB O=C1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)c2ccccc2N1 25834992 YBDAOEIHCXCZHP-CQSZACIVSA-N 337.383 1.251 0 40 EDAB CCOC(=O)[C@H]1CSCCN1Cc1cc(=O)n2cccc(C)c2n1 26336699 KGDOLVQAPBJYEL-CQSZACIVSA-N 347.440 1.483 0 40 EDAB Cc1c(CC(=O)N2CCO[C@H]3CCC[C@@H]32)nnn1-c1ccccc1 57359060 VXQWOJKCQBHELA-IRXDYDNUSA-N 326.400 1.898 0 40 EDAB COC(=O)c1ccc(CNC(=O)COC(=O)Cc2ccsc2)cc1 3252265 BWXZCJGESHIYFS-UHFFFAOYSA-N 347.392 1.937 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)N2CCC(CCC(N)=O)CC2)cc1 95453690 HTOCPFTWHAWGBQ-WEVVVXLNSA-N 344.411 1.991 0 40 EDAB c1ccc(C2=NO[C@@H](CSc3nc4ncccn4n3)CN2)cc1 57746911 CBOXQQSYQUHSGV-GFCCVEGCSA-N 326.385 1.567 0 40 EDAB Cc1ccc(-n2cnnn2)cc1NC(=O)CCNC(=O)[C@H]1C[C@H]1C 44600102 UAJSXMOOBKHCKE-YPMHNXCESA-N 328.376 1.072 0 40 EDAB CCC(=O)N[C@@](Nc1ncc(C)s1)(C(=O)OC)C(F)(F)F 2050397 ISFOVPKSDHNHOV-SNVBAGLBSA-N 325.312 1.821 0 40 EDAB NC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 20901973 IDUXSNOTCQGEKL-UHFFFAOYSA-N 346.362 1.532 0 40 EDAB Cn1ccnc1[C@H](NC(=O)NC[C@@H]1CCOC1)c1cccc(F)c1 48255440 MSXQPLAJGGMGOS-SWLSCSKDSA-N 332.379 1.984 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)o1 44869247 XJPDQOIAHAIZKN-LLVKDONJSA-N 348.380 1.610 0 40 EDAB CCN(CCNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1C 44946143 ZIIBKEIGLHCMHI-CQSZACIVSA-N 339.461 1.308 0 40 EDAB COCC(=O)NC1CCN(Cc2nc(-c3cccs3)no2)CC1 44949012 HCWHSTKWVGSDDR-UHFFFAOYSA-N 336.417 1.525 0 40 EDAB COc1ccccc1-n1nnc(C(=O)NCc2ccnn2C)c1C 24650695 UYLIAZWNECTBND-UHFFFAOYSA-N 326.360 1.248 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 10304279 MJDAWHPXGAQKRZ-NSHDSACASA-N 349.456 1.860 0 40 EDAB Cc1cccc(OC[C@@]2(CNC3CCOCC3)C[C@H](O)[C@H](O)C2)n1 107430358 ULUUMTUAMVZZKV-ALXJQNPVSA-N 336.432 1.039 0 40 EDAB biogenic,in-vitro COc1ccccc1OCCC(=O)NC[C@@H]1CCS(=O)(=O)C1 45075573 VPYHVQTZOHPCSI-LBPRGKRZSA-N 327.402 1.015 0 40 EDAB C[C@H](NC(=O)C[C@@H](C)C1CC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 58430410 ITJGWHHSQQSUDR-NEPJUHHUSA-N 341.415 1.980 0 40 EDAB COc1ccccc1CNC(=O)CN1C(=O)c2cccc(N)c2C1=O 3324455 IOUWKAKVBRGSFZ-UHFFFAOYSA-N 339.351 1.190 0 40 EDAB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1 95393293 PEBMQKXLKSGZDY-GFCCVEGCSA-N 335.381 1.961 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)Cn2nnc3ccccc32)CC1 45773323 FIAXDSHTLICFDG-UHFFFAOYSA-N 345.403 1.511 0 40 EDAB C[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)CN1CCCCC1 59420321 CRIIKMUASQQOMI-CYBMUJFWSA-N 328.416 1.775 0 40 EDAB C[C@@H](CCO)CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 84637318 BGTYMIGADQPCKI-LBPRGKRZSA-N 335.379 1.439 0 40 EDAB O=C(O)c1nn(CC(=O)N2CCCCCC2)c(=O)c2ccccc12 2624529 GAMDTWDLBJHNHF-UHFFFAOYSA-N 329.356 1.497 0 40 EDAB O=C(NCCCC(=O)N1CCc2ccccc21)NC[C@@H]1CCCO1 72278033 UTHLJUVAMMJYCG-HNNXBMFYSA-N 331.416 1.834 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)NCc1cc(F)cc(Br)c1 72270145 DFDVNJJIXMHGII-QMMMGPOBSA-N 344.184 1.618 0 40 EDAB COC(=O)c1sc(NC(=O)Cn2c(=O)oc3ccccc32)nc1C 60959131 QOLZPNCURXDVQM-UHFFFAOYSA-N 347.352 1.785 0 40 EDAB COc1cccc(CCC(=O)N[C@@H]2CCc3nccn3C2)c1OC 72278595 RUELOIYTSJIRQK-CQSZACIVSA-N 329.400 1.964 0 40 EDAB Cn1ccnc1[C@](O)(CCNC(=O)NCC(F)(F)F)C(F)(F)F 48772833 IVLALDIBKWMXCS-SECBINFHSA-N 348.247 1.422 0 40 EDAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)C1CCN(C(=O)C2CC2)CC1 72295552 QFOIHASGVVHASN-OAGGEKHMSA-N 334.460 1.955 0 40 EDAB COc1ccc(CNS(=O)(=O)c2cc(C(=O)O)cs2)cc1 13306159 SRRWOOXPZWMEHG-UHFFFAOYSA-N 327.383 1.933 0 40 EDAB COc1ccc(-n2cc(CNC(=O)c3oc(C)nc3C)nn2)cc1 87424776 LQYFFXOIUIECMG-UHFFFAOYSA-N 327.344 1.811 0 40 EDAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2cnc(C)cn2)C1 84258438 CAYJVECDYOCMTA-MRXNPFEDSA-N 329.404 1.704 0 40 EDAB COC(C)(C)C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 96005104 NMDPJCQZWAQZAG-CQSZACIVSA-N 340.445 1.844 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1ccn(-c2ccc(F)cc2)n1 65465710 ULZQUJWOYBGAPC-ZDUSSCGKSA-N 325.347 1.953 0 40 EDAB Cc1nc(COc2ccc(CN[C@H]3CCCCNC3=O)cc2)no1 65536834 UYSIRLBORUOMIN-HNNXBMFYSA-N 330.388 1.715 0 40 EDAB COC(=O)[C@@H]1CCCN1C(=O)c1cccc(CS(C)(=O)=O)c1 65563923 SIUQTDIEDSJHRQ-ZDUSSCGKSA-N 325.386 1.009 0 40 EDAB CC[C@@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 19796873 MXWKTQROAYRTIM-XBFCOCLRSA-N 331.459 1.014 0 40 EDAB CC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 14197611 LFKUXTNHSCUANL-GFCCVEGCSA-N 326.418 1.692 0 40 EDAB CCOc1ncccc1CNC(=O)NCCNC(=O)c1ccco1 65607847 OLBDXRYBABEVJV-UHFFFAOYSA-N 332.360 1.303 0 40 EDAB C[C@@H](C(=O)N1CCCCCC1)N1C(=O)N[C@H](Cc2ccccc2)C1=O 14246986 OPDDAKRYPWRBAH-GOEBONIOSA-N 343.427 1.941 0 40 EDAB COc1c(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c(C)nn1C 97141772 LVRDVGGLGZNNGF-SNVBAGLBSA-N 349.357 1.173 0 40 EDAB O=C(COC1CCCC1)NCC(=O)N1CCN(c2ccccc2)CC1 65927388 RTIJGCISVAETGZ-UHFFFAOYSA-N 345.443 1.411 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1C[C@H](N(C)C)Cc2ccccc21 67244644 UNVLRPQAGNCKPX-CQSZACIVSA-N 335.429 1.973 0 40 EDAB O=C(OCC(=O)N1CCNC1=O)c1ccc(F)cc1Br 7722153 FQBUHUYSLCTRAV-UHFFFAOYSA-N 345.124 1.297 0 40 EDAB COc1ccc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)cn1 71886795 PKJBHNKIBVBQQQ-HNNXBMFYSA-N 346.431 1.506 0 40 EDAB COc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CCN(S(C)(=O)=O)C1 90796600 SEXJLBLQSVPQIU-SUMWQHHRSA-N 338.473 1.944 0 40 EDAB Cc1cc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)no1 7836912 YFKUPAMBLRIIGX-KRWDZBQOSA-N 343.339 1.721 0 40 EDAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(F)c1 7917747 HJDBKHXEZWIWSU-JTQLQIEISA-N 347.371 1.891 0 40 EDAB CC(=O)c1cccc(NC(=O)NC2CCN(CC(=O)N(C)C)CC2)c1 69038040 NMMXENKURIHMBS-UHFFFAOYSA-N 346.431 1.563 0 40 EDAB CN1N=C(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)CCC1=O 69385271 FUAXXGGBYWHBPQ-UHFFFAOYSA-N 345.399 1.460 0 40 EDAB Cn1c(CN2CCCC[C@@H]2Cc2ccccc2)cc(=O)n(C)c1=O 69441475 DIKCMZSQKRZFQV-MRXNPFEDSA-N 327.428 1.681 0 40 EDAB CCn1cnnc1C1CCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)CC1 69585630 RNMHUGOUVJCQEE-OAHLLOKOSA-N 345.447 1.263 0 40 EDAB Cc1ccc(NCCNC(=O)C2=NO[C@@H](c3ccccc3)C2)nn1 69628845 URIQCYQYKQRBOC-OAHLLOKOSA-N 325.372 1.831 0 40 EDAB COc1ccc(C(=O)N2CCN(c3nc(C)cc(OC)n3)CC2)cn1 69630438 SUQXSUSVTMRGFC-UHFFFAOYSA-N 343.387 1.160 0 40 EDAB O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc[n+]([O-])cc1 72001448 JGOZNMWRICUWKA-QGZVFWFLSA-N 326.352 1.972 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](OCC)C2)nc1 69738234 XBCJRIVIQDXQHT-CYBMUJFWSA-N 342.417 1.448 0 40 EDAB CCNC(=O)N[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C)C[C@@H]1OC 69739372 ZPKOREXFPCBHCP-IMJJTQAJSA-N 348.447 1.340 0 40 EDAB COC(=O)[C@@H](O)C1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 92015612 IDLHPDLFNFFFSJ-KRWDZBQOSA-N 347.390 1.757 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCNCc1cnc(N2CCN(C)CC2)nc1 95416630 MELVIPNRJOXBCY-WMZOPIPTSA-N 347.507 1.913 0 40 EDAB O=C(Cc1cccnc1)NCc1ccccc1CN1CC[C@H](O)C1 97081784 NOPHUJOJAGDNNK-SFHVURJKSA-N 325.412 1.507 0 40 EDAB O=C(CSc1cccs1)NC[C@H]1COC2(CCOCC2)O1 95991642 RNESBGIVLXLHNF-NSHDSACASA-N 329.443 1.879 0 40 EDAB Cc1nc(C)c(S(=O)(=O)NC(=O)Cc2c(C)nn(C)c2C)s1 95963194 BPFLXRWTGSWYRO-UHFFFAOYSA-N 342.446 1.158 0 40 EDAB COCCNC(=O)CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 89414620 WWUDCOOYYDXGKY-IAGOWNOFSA-N 326.396 1.822 0 40 EDAB CS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1 75552627 RODAJIYDQCRCNV-ZDUSSCGKSA-N 348.428 1.801 0 40 EDAB CC(C)Oc1ccc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cn1 76056175 ATZJZLPMSBPGGV-GOEBONIOSA-N 333.432 1.662 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1ccccc1N1CCOCC1 69815114 QTYGVECVFPVILU-UHFFFAOYSA-N 343.475 1.921 0 40 EDAB C[C@H]1Cc2nc(SCC(N)=O)n(Cc3ccccc3)c(=O)c2S1 4108110 APDJWKHYYNZQRS-JTQLQIEISA-N 347.465 1.906 0 40 EDAB Cc1ccc(C[C@H](CNS(=O)(=O)N2CCCC2)C(=O)O)cc1 547571621 YNUIZFWZQJTMHJ-CQSZACIVSA-N 326.418 1.169 0 40 EDAB CC(C)c1nnc2n(c1=O)CCC21CCN(C(=O)c2ccco2)CC1 306126971 FKPMTMMYMFUMJY-UHFFFAOYSA-N 342.399 1.932 0 40 EDAB Cc1nnc([C@H]2COCCN2C(=O)[C@@H](C)n2cnc3ccccc32)o1 514632794 YFHDJNNTMUMOAM-IAQYHMDHSA-N 341.371 1.889 0 40 EDAB O[C@H](CN1CCC[C@H](c2nnc3n2CCCCC3)C1)Cn1cccn1 76609647 HNCPFNHYASQUJW-JKSUJKDBSA-N 344.463 1.442 0 40 EDAB CC(C)CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CC3)cc2)[C@H]1CO 72321132 IOPMCTNMEUBWDB-SJLPKXTDSA-N 346.427 1.952 0 40 EDAB biogenic,in-vitro COCC(=O)N1CCC[C@H](c2cnc(Nc3ccccn3)cn2)C1 72362310 UENIBDCBTMGFPB-ZDUSSCGKSA-N 327.388 1.968 0 40 EDAB C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)c2ccccc2C1=O 75241223 HRNPABYNQCMGGT-GFCCVEGCSA-N 338.363 1.736 0 40 EDAB O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](O)Cc1ccccc1 72320180 AJVFRMRGYXQCPD-CVEARBPZSA-N 329.352 1.108 0 40 EDAB COCCNC(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 69601948 WIOCETWVKOQKAQ-GFCCVEGCSA-N 327.812 1.873 0 40 EDAB Cc1cc(C)n([C@H](C)C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)n1 73118919 HPUQTCOJUDQDBD-UONOGXRCSA-N 335.477 1.696 0 40 EDAB Cc1cc(C(=O)NCCCN2CCOCC2)nc(N2CCCCC2)n1 72239841 SZYXTGWHHMVALI-UHFFFAOYSA-N 347.463 1.227 0 40 EDAB Cc1nn(C)c(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1C 78612489 GUSNMAHHWHOPDR-UHFFFAOYSA-N 334.405 1.428 0 40 EDAB Cc1sccc1C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 568499725 YKVKCGYLDMZMHX-IUODEOHRSA-N 332.429 1.882 0 40 EDAB CN1CCN(C(=O)Cc2cccc(-c3nn4cnnc4s3)c2)CC1 41126875 BGTWGMIHGSPGOS-UHFFFAOYSA-N 342.428 1.169 0 40 EDAB COCCC(=O)N1CCC[C@H]1c1cc(N2CCN(C)CC2)cc(C)n1 72370954 GNLRQLXRRMIVRZ-SFHVURJKSA-N 346.475 1.842 0 40 EDAB Cc1nc(-c2ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc2)co1 69701908 UTKAUJCWROYYDG-UHFFFAOYSA-N 337.401 1.359 0 40 EDAB COc1cc(C(=O)NCCc2nncn2C(C)C)cc(OC)c1OC 69739392 CCBCZKQVAISABW-UHFFFAOYSA-N 348.403 1.857 0 40 EDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)NCc3ccccc3)C2)n1 225406788 MXWQZIWTOSWKPF-HNNXBMFYSA-N 341.415 1.906 0 40 EDAB CN(C)C(=O)CN1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1 47532984 PVPKCPSROHGUOQ-UHFFFAOYSA-N 343.471 1.340 0 40 EDAB Cc1nn(C)c2cnn(Cc3ccc(C(=O)N4CCOCC4)cc3)c12 40714579 DZELDMOOZYFUBI-UHFFFAOYSA-N 339.399 1.599 0 40 EDAB O=S1(=O)CC[C@@H](NC2CCN(Cc3cc(F)cc(F)c3)CC2)C1 225463053 HXLSPXHCOIBBRX-MRXNPFEDSA-N 344.427 1.706 0 40 EDAB Cc1sc2nc([C@@H](C)N3CCC(O)(C(N)=O)CC3)nc(N)c2c1C 573382962 BBGNZHIQCCSANY-SECBINFHSA-N 349.460 1.264 0 40 EDAB Cc1cc(C)n(-c2nc(CCNC(=O)c3cn(C)nn3)cs2)n1 85473536 YOTMLAVCGSQRPP-UHFFFAOYSA-N 331.405 1.047 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3[C@@H](CC2)OCCN3CCN(C)C)c(C)o1 96249254 QEWJOMDRUNQROY-ZWKOTPCHSA-N 349.475 1.763 0 40 EDAB CC1=C(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)Cc2ccccc2O1 96427180 SCNLADDNPJZZGV-CVEARBPZSA-N 328.412 1.875 0 40 EDAB Cc1ccc(OCCC(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)c(C)c1 583617683 DZYUUSPMPDMWQV-GOSISDBHSA-N 344.415 1.701 0 40 EDAB Cc1noc([C@H]2CN(Cc3nnc(C4CCC4)n3C)CCN2C)n1 583617685 FCVWIFIAVXDHIU-CYBMUJFWSA-N 331.424 1.263 0 40 EDAB Cc1cnc(C(=O)N2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cn1 96042594 TYXXDYLGGKSWKM-INMHGKMJSA-N 340.383 1.631 0 40 EDAB Cn1cccc1CN1CCN2C[C@H](OCc3ccccn3)C[C@H]2C1 96063792 OVAHLJNPNYOFLE-RBUKOAKNSA-N 326.444 1.895 0 40 EDAB Cc1cc(CN2C[C@H]3OCCN(C(=O)c4ccccc4)C[C@H]3C2)no1 96206894 YRDPWLBIESCARA-SJLPKXTDSA-N 341.411 1.956 0 40 EDAB O=C(c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1ccno1)CC[C@@H]2F 96078728 NKYFDRCTMQFQNN-YOEHRIQHSA-N 347.346 1.984 0 40 EDAB O=C(NC[C@@H](O)c1ccco1)[C@@H](c1cccc(F)c1)N1CCOCC1 96436069 LJCGKFSKYBULGW-NVXWUHKLSA-N 348.374 1.642 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3OCCN(CCN4CCCC4)[C@@H]3C2)cn1 96248719 CUXGDSBEINZXHO-MSOLQXFVSA-N 344.459 1.011 0 40 EDAB O=C(Cc1cccnc1)N1CCOC2(CCN(CC3CC3)CC2)C1 96063123 BHLREWXCKXSGRA-UHFFFAOYSA-N 329.444 1.728 0 40 EDAB Cn1cc(S(=O)(=O)Nc2ccc(N=S(C)(C)=O)cc2)cn1 585086330 BBCZSKVSYDNNSP-UHFFFAOYSA-N 328.419 1.580 0 40 EDAB O=C(N[C@@H]1CCC12CCN(C(=O)N1CCCC1)CC2)c1cnccn1 96078364 SZGLXUGEWJHZGN-OAHLLOKOSA-N 343.431 1.667 0 40 EDAB CNC(=O)CN1CCOC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 96049488 TXVICUOIIWFDHU-LJQANCHMSA-N 349.450 1.486 0 40 EDAB O=C1N[C@]2(C[C@H]3CC[C@H]2N3C(=O)Cc2ccccn2)Nc2ccccc21 247870109 QIPUPJUECPGHCB-ZTQAJYAQSA-N 348.406 1.939 0 40 EDAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCO)[C@]1(C2)NC(=O)c2ccccc2N1 257241164 HWWAOQAOTRGOBO-XGHOKTPJSA-N 343.427 1.473 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCO[C@H](c2cnccn2)C1 257326261 WWNOCAIGVJRQCS-NSHDSACASA-N 341.293 1.292 0 40 EDAB CC(=O)N1[C@@H]2CN(C(=O)c3ccnc(C)n3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257211134 BXPYTUBLEULPTD-JXSMBQFASA-N 328.416 1.789 0 40 EDAB CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)Cc1cccs1 257217179 CXVYYOAJRWPRGD-MRXNPFEDSA-N 332.429 1.180 0 40 EDAB CN1C(=O)CO[C@@H]2CCN(C(=O)Cn3ccc4ccc(F)cc43)C[C@@H]21 257268341 MLGPRRXVLDZEPD-JKSUJKDBSA-N 345.374 1.239 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cc2ccccc2F)nc1 257235842 GZTJIFSXKBNOGF-OAHLLOKOSA-N 348.399 1.728 0 40 EDAB O=C(C=c1[nH]c(=Cc2ccc(F)cc2)c(=O)nc1O)c1ccccc1 253496375 GSOQJBQLXPJMHP-UHFFFAOYSA-N 336.322 1.107 0 40 EDAB CC[C@@H](CNC(=O)[C@H]1Cc2cncn2C(=O)N1)Oc1cccc(C)c1 1615547374 SZJZLLVHGLTVPR-GOEBONIOSA-N 342.399 1.648 0 40 EDAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)/C=C/c2c(C)nn(C)c2C)C1 585290631 ROLRZHZIAAOOER-IPLHWJFFSA-N 348.447 1.323 0 40 EDAB O=C(c1n[nH]c2c1CCC2)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 585099013 AXYPDANTVBCYHO-AWEZNQCLSA-N 341.415 1.546 0 40 EDAB C[C@@H]1C[C@@H](N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)C(=O)O1 44741844 JQJYDZSEEDBVPM-GDBMZVCRSA-N 330.428 1.812 0 40 EDAB O=C(NCc1noc([C@@H]2CCC(=O)N2CC2CC2)n1)c1nccs1 1775963886 IFPZPTYKVJATEN-JTQLQIEISA-N 347.400 1.530 0 40 EDAB biogenic,in-vitro COc1cccc(S(=O)(=O)NCC2(N3CCOCC3)CCC2)c1 1776008624 KQNAVQBUMMBYEZ-UHFFFAOYSA-N 340.445 1.228 0 40 EDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3nnc(C4CCC4)o3)C2)C1=O 76058804 AIAUATYAUXHFCN-SJKOYZFVSA-N 347.419 1.489 0 40 EDAB COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 58268647 WAAOSEDFCBSHSK-NXEZZACHSA-N 347.820 1.925 0 40 EDAB Cn1cc(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cn1 58214644 RGHLTOFTRWKALX-INIZCTEOSA-N 326.400 1.982 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c(=O)[nH]1 75118374 CIDYQVBBRAIZKI-UHFFFAOYSA-N 341.411 1.446 0 40 EDAB CN(C)CCNC(=O)c1ccc(CNC(=O)c2cccn2C)cc1 75606851 XQCOVYGJLRDVOR-UHFFFAOYSA-N 328.416 1.247 0 40 EDAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)[C@@H]3CCCO3)nc12 12146353 QVMGMOIMUKTZGF-HNNXBMFYSA-N 340.383 1.253 0 40 EDAB Cc1cc(-c2cc(N)c(=O)n(CC(=O)NCc3ccco3)n2)c(C)o1 12146782 GFMIYYOSXZNRED-UHFFFAOYSA-N 342.355 1.612 0 40 EDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)NC12CC3CC(CC(C3)C1)C2 12810016 JODPBUBWFPZGSU-KYKKZPFNSA-N 348.476 1.602 0 40 EDAB CCn1nnc2c(N3CCN(C(=O)c4cccs4)CC3)ncnc21 13533437 SVMCDQXDNTUXQP-UHFFFAOYSA-N 343.416 1.265 0 40 EDAB COc1cccc(C(=O)N2CCN(c3nccn3C)CC2)c1OC 13693484 GSXCFXJAIGEQOD-UHFFFAOYSA-N 330.388 1.400 0 40 EDAB CC(C)N1CCc2c(nc(C3CCN(C(=O)C4CC4)CC3)[nH]c2=O)C1 19448443 SGTQBXMJDJQKAE-UHFFFAOYSA-N 344.459 1.652 0 40 EDAB COc1c(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c(C)nn1C 19577971 CKPARNXSDXCOFI-INIZCTEOSA-N 342.447 1.510 0 40 EDAB COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccccn3)C2)no1 19593556 SCLKXYONSMBJGZ-AWEZNQCLSA-N 344.415 1.825 0 40 EDAB C[C@H](c1ccccn1)N(C)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 103939509 OLEDTOMTQSYBHY-BCBCSNLJSA-N 339.395 1.408 0 40 EDAB COc1ccc(CC2=c3cc(OC)c(OC)cc3=CCN2)cc1OC 1657265 IKZYPGQHZBTYBP-UHFFFAOYSA-N 341.407 1.456 0 40 EDAB CC(C)C(=O)Nc1nc(CC(=O)N[C@@](C)(C(=O)O)C2CC2)cs1 538503525 WFHVLNJSKNWNKO-OAHLLOKOSA-N 339.417 1.650 0 40 EDAB O=C(c1cn(Cc2cccc(F)c2)nn1)N1CCC[C@H]2CNC[C@H]21 562667939 GIZULZDUDIKZLG-XJKSGUPXSA-N 329.379 1.290 0 40 EDAB Cc1ccc(NC(=O)C[C@@H](C(=O)O)N2CCNCC2)cc1Cl 22592735 HLXMIUWBGCCPNU-ZDUSSCGKSA-N 325.796 1.335 0 40 EDAB O=C(O[C@@H]1CCOC1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575615327 CZFFGZBPPVKSHM-DGCLKSJQSA-N 345.442 1.835 0 40 EDAB Cc1cccc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C 6422630 CZAQSGPMZAORQA-ZDUSSCGKSA-N 339.413 1.106 0 40 EDAB c1cnc(N2CCOCC2)c(CN2CC[C@H](c3cnccn3)C2)c1 1888842789 BTHJFCLLAOTGAB-HNNXBMFYSA-N 325.416 1.698 0 40 EDAB O=S(=O)(C1CC1)N1CCC(COc2ccc3nccn3n2)CC1 1888866239 GRROAWZXNMPGOS-UHFFFAOYSA-N 336.417 1.312 0 40 EDAB COc1cc(OC)cc(C(=O)NCC2CCN(C(=O)N(C)C)CC2)c1 1888870263 RJAJXVPQLABWHL-UHFFFAOYSA-N 349.431 1.827 0 40 EDAB CN(C)c1ccc(N2CCN(c3ncnc4ccccc34)CC2)nn1 1889149224 RQJDJWQNOVMAKJ-UHFFFAOYSA-N 335.415 1.812 0 40 EDAB CC(C)N(CC(N)=O)CC(=O)Nc1ccc(Br)cc1F 8532933 UQLCPYOROLFUBO-UHFFFAOYSA-N 346.200 1.722 0 40 EDAB COc1nccn2c(CNC(=O)CSCc3ccccc3)nnc12 239578960 DCRNHSFTKXGLCT-UHFFFAOYSA-N 343.412 1.683 0 40 EDAB CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc(Cl)c1C 4107552 MIDKUZGLJQRSPO-ZDUSSCGKSA-N 346.836 1.526 0 40 EDAB O=C1C[C@H](NS(=O)(=O)c2cccs2)CN1c1ccc(F)cc1 4497778 FYGQABHFBLYAHU-NSHDSACASA-N 340.401 1.971 0 40 EDAB O=C(NCc1ccccc1Cl)c1c(O)nc2ccccn2c1=O 9830215 ZHAXGCCPJFOKBH-UHFFFAOYSA-N 329.743 1.984 0 40 EDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2cccnc2)CC1 2055704365 WPXQOIZYEKKIER-UHFFFAOYSA-N 343.431 1.032 0 40 EDAB CCc1ccc(C(=O)N2CC[C@]3(C[C@@H](n4cnnc4)CO3)C2)cn1 2055839527 CVFFNZNFPDHBDS-WBVHZDCISA-N 327.388 1.482 0 40 EDAB COCC(=O)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 19592730 OVFNMNWEMLWGGD-UHFFFAOYSA-N 341.411 1.795 0 40 EDAB O=C(N[C@H]1CCN(c2nccs2)C1)c1cnn(-c2ccccc2)n1 206813349 QADDSRBBXCYGLK-LBPRGKRZSA-N 340.412 1.733 0 40 EDAB Cn1ncnc1CNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 95459999 GKAQQQFTHAXHSW-TZMCWYRMSA-N 335.795 1.798 0 40 EDAB COc1ccccc1N1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1 8200196 GTJUCPIRENEUCF-UHFFFAOYSA-N 345.443 1.602 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)NCc1nnc2ccccn12 31028982 AWNOKRFAUOUQLP-UHFFFAOYSA-N 325.328 1.457 0 40 EDAB C[C@]1(c2cccc(NC(=O)COc3ccccc3)c2)NC(=O)NC1=O 40535856 ZUNSERLJLDFHFW-GOSISDBHSA-N 339.351 1.759 0 40 EDAB O=C1O[C@H](C(=O)Nc2cccnc2-n2cccn2)Cc2ccccc21 31951017 GPVZAVAQQXYFSA-HNNXBMFYSA-N 334.335 1.988 0 40 EDAB COCCCNc1nc2nnnn2c2sc3c(c12)CCN(C)C3 20503751 VPLWLDMHRPBVBI-UHFFFAOYSA-N 333.421 1.170 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 32682846 ZQBBCYKVYRWSQS-HUUCEWRRSA-N 348.447 1.714 0 40 EDAB CC(C)S(=O)(=O)Cc1ccc(NC(=O)NCC(=O)N(C)C)cc1 52262860 KWYQDJIWBPYPJB-UHFFFAOYSA-N 341.433 1.220 0 40 EDAB CCOc1ccc([C@@H]2CCCN2C(=O)CC[C@H]2NC(=O)NC2=O)cc1 32821011 AVZJKJRUHRXXLE-CABCVRRESA-N 345.399 1.737 0 40 EDAB NC(=O)CCS(=O)(=O)CCN(Cc1ccc(Cl)cc1)C1CC1 53128542 WZUZQHXSJYRDFB-UHFFFAOYSA-N 344.864 1.595 0 40 EDAB COc1ccc2nc(NN=c3c(=O)c4ccccc4c3=O)sc2c1 56092 PAGILYVINBJEKC-UHFFFAOYSA-N 337.360 1.982 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@H](c1ccccc1)c1ccccn1 47594096 RLTKDEUWTXHUAM-GOEBONIOSA-N 345.424 1.657 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)N[C@@H]1c2ccccc2C[C@H]1O 78996981 CILXKSMHHOPUGB-NVXWUHKLSA-N 346.333 1.469 0 40 EDAB CCOC(=O)C[C@H]1CC(=O)[C@@H](C(=O)OCC)C=C1C(=O)OCC 1579601 QPNGYBKPJGVMRZ-PWSUYJOCSA-N 326.345 1.197 0 40 EDAB COc1ccc(OC[C@@H](O)CN(C)CC(=O)Nc2cc(C)on2)cc1 53944322 NSRBOKGJTHFJPL-ZDUSSCGKSA-N 349.387 1.302 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@H](c2ccc(F)cc2)C1 23186506 UXPJHPPLWAKJMY-SMDDNHRTSA-N 346.410 1.793 0 40 EDAB COc1ccc(CC[C@]2(C)NC(=O)N(CN3CCOCC3)C2=O)cc1 23229549 OSANZOFKPOGRFN-SFHVURJKSA-N 347.415 1.228 0 40 EDAB CC(=O)N[C@@H](C(=O)NCc1nncn1-c1ccccc1)C1CCCC1 42496807 LQZWUCDVHDRIMK-QGZVFWFLSA-N 341.415 1.578 0 40 EDAB CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 47615685 HTIQDTXPZGCTLN-ZBFHGGJFSA-N 330.432 1.031 0 40 EDAB COCCNC(=S)N(CCO)Cc1cc2cccc(C)c2[nH]c1=O 4131782 BMRBSZRCEDGJPJ-UHFFFAOYSA-N 349.456 1.152 0 40 EDAB COCCn1cc(NC(=O)NCCN2CCc3sccc3C2)cn1 54440180 AXWVENQXEGCRQQ-UHFFFAOYSA-N 349.460 1.771 0 40 EDAB O=S(=O)(c1ccccc1)N1CCN(c2cncc(Cl)n2)CC1 54551870 JLJANVGMWGBQRO-UHFFFAOYSA-N 338.820 1.641 0 40 EDAB CN1C(=O)C(=O)N(CN2CCC[C@@H]2c2nc3ccccc3s2)C1=O 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CCOC(=O)N1CCN(c2ccc(-c3nc(C)ns3)nn2)CC1 8861697 RAGQIKBTVLIWPM-UHFFFAOYSA-N 334.405 1.582 0 40 EDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1 1462422 DVEMUDVAGCDSHX-UHFFFAOYSA-N 330.365 1.860 0 40 EDAB CC(=O)[C@]1(O)C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5 59106448 MMYAHWMMNIFPHT-GKZIKETMSA-N 327.380 1.157 0 40 EDAB CN(C)c1ccc(NC(=O)NC2CCN(C(=O)C3CC3)CC2)cn1 48092236 CNNUJKMSZJLPFM-UHFFFAOYSA-N 331.420 1.670 0 40 EDAB CCc1cc(=O)n(CC(=O)NC[C@H]2CCCO2)c(-c2ccccc2)n1 57527128 RFYGREAOEPRWLS-MRXNPFEDSA-N 341.411 1.768 0 40 EDAB CCOC(=O)C1CCN(C(=O)COC(=O)c2cccc(F)c2)CC1 3219436 VZCGGVFCMMDEJA-UHFFFAOYSA-N 337.347 1.784 0 40 EDAB N[C@@H](CS[C@H]1CC(=O)N(c2ccccc2Cl)C1=O)C(=O)O 100856045 WFTJNLHOQWRRIF-WPRPVWTQSA-N 328.777 1.117 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2nc3ccccc3o2)C1 48164255 WGAJPLNCMAWMQJ-CHWSQXEVSA-N 348.424 1.969 0 40 EDAB CC1CCN(S(=O)(=O)N2CCN(c3nccs3)CC2)CC1 12757440 PFQRHIQQHHYTOK-UHFFFAOYSA-N 330.479 1.242 0 40 EDAB COc1cccc(CC(=O)N2CCC(CN3CCOCC3)CC2)c1 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335.379 1.088 0 40 EDAB C[C@@H]1CCc2sc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cc2C1 12940726 UFWXRYMHOPLVIC-SNVBAGLBSA-N 347.440 1.687 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)c1ccccc1 5039246 KVVWMLUTALDFHD-UHFFFAOYSA-N 349.364 1.382 0 40 EDAB COCCn1nc(C)c(NC(=O)N2CCN(C)C[C@@H]2C(C)C)c1C 96000227 ATNYOGCYXVJFPS-OAHLLOKOSA-N 337.468 1.950 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 84752967 JBQVZKSCARMUGG-MSOLQXFVSA-N 329.444 1.778 0 40 EDAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 6339386 GDSJSRJKWNBJHQ-IAGOWNOFSA-N 328.412 1.998 0 40 EDAB Cc1cc(CC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n[nH]1 95440508 HWRUTYRPBQSLPX-PBHICJAKSA-N 330.363 1.488 0 40 EDAB O=C(CC1CC1)NCC[C@@H]1CCOC12CN(C(=O)c1cnccn1)C2 306137269 QRJAPFJKQTTWNZ-CQSZACIVSA-N 344.415 1.014 0 40 EDAB CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)N(C)[C@@H](C)C1CC1 66916094 GNMXUMOPHZWCAE-AAEUAGOBSA-N 349.522 1.203 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 15303008 FXVIWTDWRWPQDG-HNNXBMFYSA-N 342.399 1.560 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)c1 7053638 BZOMVGHGWTYQQQ-UHFFFAOYSA-N 340.426 1.752 0 40 EDAB Cc1cc(N2CCC(C(N)=O)CC2)c(Cl)cc1S(C)(=O)=O 15443112 WNLJSKKUOGWLEI-UHFFFAOYSA-N 330.837 1.754 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 96305376 JXLGAKLBOAHGOT-UHFFFAOYSA-N 343.383 1.978 0 40 EDAB Cc1nc(S(=O)(=O)CCn2cccn2)n(C[C@H]2CCCO2)c1C 96403464 RPTKHIFVACHAJM-CQSZACIVSA-N 338.433 1.349 0 40 EDAB COC(=O)c1cnc(C(=O)Nc2cc(NC(C)=O)ccc2C)cn1 95457315 REBUQGUSYFHYEK-UHFFFAOYSA-N 328.328 1.782 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)NCCCN(C)c2cccc(F)c2)c1C 95450258 OCMBWAKSMNZVNG-UHFFFAOYSA-N 346.406 1.793 0 40 EDAB CCC(=O)N[C@H]1CCCN(C(=O)CCc2ccc(C(=O)OC)cc2)C1 68092950 PDAPMZVWYLIDEQ-INIZCTEOSA-N 346.427 1.923 0 40 EDAB O=C(COC(=O)Cc1ccc(F)cc1)NCc1ccc2c(c1)OCO2 7514903 GYTAADLAMJZVAC-UHFFFAOYSA-N 345.326 1.957 0 40 EDAB CC(C)n1nccc1NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 95400367 ASDHXKBJBONCKY-AWEZNQCLSA-N 340.383 1.922 0 40 EDAB Cc1ccc2cccnc2c1S(=O)(=O)N(C)CC(=O)NC1CC1 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330.306 1.722 0 40 EDAB CNc1cc2c(nn1)CCN(C(=O)[C@@H]1Oc3ccccc3O[C@@H]1C)C2 71860138 JSVSCQFATFRHGZ-PIGZYNQJSA-N 340.383 1.632 0 40 EDAB COC[C@H](C)NC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 69520571 UJJVGLJDKITBAY-HNNXBMFYSA-N 333.432 1.426 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NC(=O)c1ccn(-c2ccccc2F)n1 71888300 SLDVCQAUKBUORK-UHFFFAOYSA-N 328.307 1.394 0 40 EDAB Cc1cccc(OCC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1 24688847 MBGOWZOBQBCNFF-AWEZNQCLSA-N 340.445 1.304 0 40 EDAB CN(C)C(=O)[C@@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccccc1 17890055 GNYKYVCNGBZLAJ-HNNXBMFYSA-N 326.352 1.772 0 40 EDAB COCCN(CCN(C)C)C(=O)c1cncc(Br)c1 69743666 SSJPMNJRUGGFGV-UHFFFAOYSA-N 330.226 1.494 0 40 EDAB CC(C)c1nnc(NC(=O)NCCCC(=O)Nc2cn[nH]c2)s1 69700883 GTHDQKYALNXADY-UHFFFAOYSA-N 337.409 1.925 0 40 EDAB CC(=O)N[C@@H](CC(=O)N(CC(N)=O)C1CCCC1)c1ccccc1 71821095 LNODEPRSQGXMSK-INIZCTEOSA-N 331.416 1.510 0 40 EDAB CCN(C(C)=O)c1nc(CN2CCC[C@H]2Cn2cncn2)cs1 69840840 YEGZHELYVNTJCC-AWEZNQCLSA-N 334.449 1.772 0 40 EDAB CCn1nc(C)c(C(=O)N(C)CC(=O)Nc2cc(C)ccn2)c1C 69843693 QEOBZJMHULEMFC-UHFFFAOYSA-N 329.404 1.934 0 40 EDAB CN(CCNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)C1CC1 69874876 HUYKEMBSIFOPHO-AWEZNQCLSA-N 325.478 1.289 0 40 EDAB COCC[C@@H](Nc1nc(-c2cccnc2)nc2c1CCC2)C(N)=O 95463022 VKQYNXHZAWHPGY-CQSZACIVSA-N 327.388 1.330 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 69981588 XRKTXXHTTQTPRV-SNVBAGLBSA-N 334.247 1.861 0 40 EDAB CCn1ccnc1CN1CC[C@H](N(C)Cc2nnc(C3CC3)n2C)C1 83843612 FXMKATAIMYSOOG-HNNXBMFYSA-N 343.479 1.615 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)N(Cc1ccnc(N(C)C)c1)CC2 97082219 HMCDHCNNWGJYHR-UHFFFAOYSA-N 346.456 1.618 0 40 EDAB O=S(=O)(N1CCCCCC1)N1CC[C@H](Oc2cccnc2)C1 97015742 BAHPYMHWLVOOCW-HNNXBMFYSA-N 325.434 1.656 0 40 EDAB CN(C)[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 97082849 GDYHIDJOXPBJDI-NXEZZACHSA-N 337.367 1.861 0 40 EDAB O=C(Cn1ccc2ccccc21)N1CCN([C@H]2CCC[C@H]2O)CC1 72269417 IOGNDGYVBZZZMY-ZWKOTPCHSA-N 327.428 1.699 0 40 EDAB COc1c([C@@H]2CCCN2CC(=O)N(C)c2nccs2)c(C)nn1C 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NDVXQYVNPGIZTL-GFCCVEGCSA-N 333.396 1.158 0 40 EDAB Cc1cccc(NC(=O)[C@H](C)N2CCN(CC(=O)NC3CC3)CC2)c1 22929766 BCERNORAHWWRKS-HNNXBMFYSA-N 344.459 1.218 0 40 EDAB CC(C)Oc1nn(CN(C)CC(=O)N2CCOCC2)c(=S)s1 78919591 LBMNNZMWIZWTMT-UHFFFAOYSA-N 346.478 1.209 0 40 EDAB CCC[C@@H](C)NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408544536 HNDCNTGKDOTKRX-LLVKDONJSA-N 342.417 1.486 0 40 EDAB CN(C(=O)[C@H](c1ccccc1F)N1CCOCC1)c1cnn(C)c1 175231415 UODKIRMYGHDKAU-INIZCTEOSA-N 332.379 1.596 0 40 EDAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@@H]1C2 306125619 CVZXZEPLYIHNFI-QWHCGFSZSA-N 327.388 1.068 0 40 EDAB Cc1nccn1C[C@@H](C)CNC(=O)N1CCC[C@H](Cn2ccnn2)C1 124504697 ISDWNXWURUSGMF-HOCLYGCPSA-N 345.451 1.541 0 40 EDAB Cc1cc(C)n2ncc(-c3noc(C(=O)NCc4ccccn4)n3)c2n1 31817614 OUABRVUWXQPVIK-UHFFFAOYSA-N 349.354 1.721 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(F)c1 218585196 MPSWWIWTYUUGEJ-KCQAQPDRSA-N 329.393 1.234 0 40 EDAB CC(C)(C(=O)O)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 563202066 SLNZSLGVGBVAFS-ZDUSSCGKSA-N 334.372 1.531 0 40 EDAB Cc1cc(CNS(=O)(=O)c2ccc(Cl)cc2)nc(N(C)C)n1 188280442 PKHZWLVLUYPGDJ-UHFFFAOYSA-N 340.836 1.983 0 40 EDAB C[C@H]1CN(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C[C@H](C)O1 46237733 HJLLRWIZYNEJAF-HRCADAONSA-N 345.443 1.265 0 40 EDAB Cc1ccc(F)c(N2CCC[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)c1 81757872 XCOMBPSTDREFHU-ZFWWWQNUSA-N 348.422 1.762 0 40 EDAB O=S(=O)(CCc1ccccc1)NC[C@@]1(O)CCOc2ccccc21 75158166 BVXSZSSYUVRUTJ-SFHVURJKSA-N 347.436 1.819 0 40 EDAB Cc1cc(CNC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)n(C)n1 225477633 BRSJSTLFMBRTLB-UHFFFAOYSA-N 336.417 1.762 0 40 EDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C(=O)Nc1ccon1 134244442 LUWKDVSECWEZJV-CYBMUJFWSA-N 328.372 1.870 0 40 EDAB Cc1n[nH]c([C@H]2CN(C[C@H](O)COc3ccccc3F)CCO2)n1 84271520 AKSBNCNIUKZORG-SWLSCSKDSA-N 336.367 1.065 0 40 EDAB COCc1nc(OC)cc(N2C[C@H](NC(=O)[C@@H]3C[C@H]3C)C(C)(C)C2)n1 1068127993 NLZRADSYXBGNEA-UPJWGTAASA-N 348.447 1.619 0 40 EDAB CCn1cc(Cl)c(C(=O)NCc2nc(-c3cc(C)on3)no2)n1 225812131 PLDIDMZHCAODCH-UHFFFAOYSA-N 336.739 1.833 0 40 EDAB C=Cn1cc(CNc2ccc(N3CCC[C@H](C(N)=O)C3)nc2)cn1 225583562 FHAFLEVGIZTOKQ-AWEZNQCLSA-N 326.404 1.692 0 40 EDAB CN(c1ccc(CC(=O)NCc2ccccc2)cc1)S(C)(=O)=O 225976345 SJJROWGYPBAKCV-UHFFFAOYSA-N 332.425 1.941 0 40 EDAB O=C([C@H]1CCc2[nH]cnc2C1)N1CCC(Oc2cccnn2)CC1 225514700 MTDKKHYONXYALN-LBPRGKRZSA-N 327.388 1.375 0 40 EDAB O=C(O)[C@@H]1CCN(C(=O)NCc2ccc(OCC(F)(F)F)nc2)C1 576725350 PQCLFXDSVQQOHK-SNVBAGLBSA-N 347.293 1.639 0 40 EDAB COC[C@@]12CCCO[C@H]1CCN(S(=O)(=O)c1cccnc1)C2 96039128 DFOPDDCIEADWBR-GJZGRUSLSA-N 326.418 1.288 0 40 EDAB COCCN1C[C@@H]2CN(C(=O)c3ccoc3)CCC[C@]2(C(=O)O)C1 96064222 WXIKJJKTVJCJNQ-PBHICJAKSA-N 336.388 1.165 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)COc1ccccc1Br 95449083 AIVCMGDLCMLHJR-JTQLQIEISA-N 339.193 1.624 0 40 EDAB O=C(c1cn2cccnc2n1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 96404144 UWOMMDXTSJROIA-STQMWFEESA-N 332.429 1.856 0 40 EDAB C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 96413472 YYNMGBADDFEVEP-LLVKDONJSA-N 331.351 1.603 0 40 EDAB CN(C)CCn1c2c(ccc1=O)CCN(C(=O)c1ccoc1)CC2 96196652 QPQMGAXICIBGAC-UHFFFAOYSA-N 329.400 1.244 0 40 EDAB O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ncc(F)cn3)C[C@@H]12 96038617 AGTQTJLGVSWIED-KCPJHIHWSA-N 346.362 1.224 0 40 EDAB CCS(=O)(=O)CC(=O)N1CCOc2c(Br)cccc21 332726508 PWHUFQMUWOJXET-UHFFFAOYSA-N 348.218 1.609 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)Cc3ccc(Cl)nc3)CC2)S1 96426974 JVHWAQGYEXYLGO-NSHDSACASA-N 338.864 1.913 0 40 EDAB COc1ccccc1OCC(=O)N1CCC[C@]2(C[C@H](OC)CO2)C1 96209068 SLHKLHZLTOSPGR-KSSFIOAISA-N 335.400 1.871 0 40 EDAB O=S(=O)(C1CC1)N1CCC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96048415 FNCSAXLWFJIEAX-SWLSCSKDSA-N 338.433 1.004 0 40 EDAB COc1cccc(CC(=O)N2CC[C@H](O)[C@@H]2Cc2cccnc2)c1 96200460 DHVIOIWAFAWPJT-ROUUACIJSA-N 326.396 1.837 0 40 EDAB Cc1cccc(CN2CCC3(CCC(=O)N3CC(=O)N(C)C)CC2)n1 96228101 QKMXFLIBNOJEBJ-UHFFFAOYSA-N 344.459 1.435 0 40 EDAB Cc1nc(N[C@H](c2nccn2C)C2CCOCC2)c2cnn(C)c2n1 583617574 ZTSDGJACDKWMMV-AWEZNQCLSA-N 341.419 1.985 0 40 EDAB CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 583615135 HDQGWPLLRGBBEE-SCZZXKLOSA-N 348.325 1.753 0 40 EDAB Cn1nccc1C(=O)N1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 96107683 PIUWCWCDSOZDAI-SJCJKPOMSA-N 346.362 1.407 0 40 EDAB CN(C)C(=O)COCC[C@@H]1CCOC2(C1)CN(Cc1ccncc1)C2 247958034 DKNPAMOTCQICAH-MRXNPFEDSA-N 347.459 1.558 0 40 EDAB CCn1cc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)c(C)n1 257315070 UZUCDZSVGIVWMP-MRXNPFEDSA-N 343.431 1.886 0 40 EDAB CCn1c(S(=O)(=O)Nc2nc(C)c3c(n2)CCCC3)cnc1C 252482419 DEVTYXFPGLWWIT-UHFFFAOYSA-N 335.433 1.989 0 40 EDAB O=C(Cc1csc(-c2ccccn2)n1)N[C@@H]1C[C@@H]1N1CCOCC1 585088050 IJAUBESINCUXCM-CABCVRRESA-N 344.440 1.337 0 40 EDAB C[C@@H]1CCCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 585121361 NHIMFIHNGJLZGN-LLVKDONJSA-N 343.424 1.534 0 40 EDAB CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCO2)c1 252503874 VGVBDAYRUVGOSW-UHFFFAOYSA-N 348.446 1.043 0 40 EDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)Cc1c(C)nc2ccccn12 257266969 MFJBFTOSOQVEBY-OAHLLOKOSA-N 339.399 1.817 0 40 EDAB COC(=O)[C@]1(C)CN(C(=O)N[C@@H](C)c2nnc3n2CCCC3)C[C@H]1C 252478754 AUQPKJPLNSOHNW-BWACUDIHSA-N 349.435 1.516 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(Cc2ccccn2)C1 257255700 KINIOUPJDMCEBA-CYBMUJFWSA-N 334.445 1.663 0 40 EDAB C1=CO[C@@H](CN2CCN(c3nnnn3-c3ccccc3)CC2)CC1 252482579 DJPMDPFCBHPPGH-MRXNPFEDSA-N 326.404 1.477 0 40 EDAB CN(C[C@H](O)C(F)(F)F)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 253371043 ZWTRWRKVWYPHFA-RYUDHWBXSA-N 330.306 1.169 0 40 EDAB Cc1nccc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)n1 257340786 ZHOCSKADGJICOY-SJLPKXTDSA-N 327.384 1.830 0 40 EDAB Cc1c(F)cccc1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)O)C1 263219550 OSSZYYKNCXQBHS-GFCCVEGCSA-N 336.363 1.529 0 40 EDAB C[C@H]1CC[C@@H](CCC(=O)NCc2cccc(N3CCOCC3)n2)O1 274772943 JBWQCSOUONRPGZ-HOCLYGCPSA-N 333.432 1.882 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@H](OC(F)F)C1 606442910 UIXKWVXYGYIQOW-JTQLQIEISA-N 333.356 1.852 0 40 EDAB CCn1cc(CNC(=O)N[C@H]2CCc3ccc(C)cc32)c(O)nc1=O 1615615093 OJYGXPZEKVDVNI-HNNXBMFYSA-N 342.399 1.764 0 40 EDAB O=C(NCc1nccc(N2CCCC2)n1)c1ccc2c(c1)OCO2 96120752 PJZHJDXANGZDMX-UHFFFAOYSA-N 326.356 1.736 0 40 EDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cn(-c2ccccc2)nn1 731426285 DFJAXIZPDUJGHE-CQSZACIVSA-N 343.412 1.623 0 40 EDAB CCn1cc(Cl)c(C(=O)NCCn2ccc3ccn(C)c3c2=O)n1 575608568 UBZYPZSPIJVNKI-UHFFFAOYSA-N 347.806 1.640 0 40 EDAB CCOCC(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1 575403503 FXDANXSDSYXXLN-QGZVFWFLSA-N 329.400 1.847 0 40 EDAB CC[C@H](C)Oc1cc(CNC(=O)N2CCO[C@@H](C(=O)O)C2)ccn1 666539983 CPWMUFYOARZCRW-WCQYABFASA-N 337.376 1.254 0 40 EDAB Cn1ccnc1CN1CC[C@@H](Oc2cccnc2)[C@H](CC(=O)O)C1 585286526 UEFDXHXNQUQYQI-UKRRQHHQSA-N 330.388 1.559 0 40 EDAB O=C(CN1CC[C@H](Cc2ccccc2)[C@@H](O)C1)Nc1ccccn1 585279863 RDKFFUAGJLHPTF-SJORKVTESA-N 325.412 1.946 0 40 EDAB COC[C@@]1(CC(=O)NCc2ccccc2F)CN(C(C)=O)CCO1 585280824 PSPIGSHCZYEQKX-QGZVFWFLSA-N 338.379 1.096 0 40 EDAB CO[C@]1(CC(=O)N2CCc3ccccc3C2)COCCN(C(C)=O)C1 585281343 WJPXQTBYAIKQLF-IBGZPJMESA-N 346.427 1.225 0 40 EDAB COCCN1CCN(CC(=O)N[C@@H](C)c2ccccc2OC)C[C@H]1C 70006319 UIOHBJSUWBEZBM-CVEARBPZSA-N 349.475 1.525 0 40 EDAB O=c1c2ccccc2ncn1C[C@H](O)CN1CCc2ccccc2C1 66482213 LVKJVCAGBBDTDS-QGZVFWFLSA-N 335.407 1.816 0 40 EDAB CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(CNC(C)=O)s1 71813663 XPFNNUZPEWHEBX-LBPRGKRZSA-N 345.490 1.147 0 40 EDAB COc1ccc(OC)c([C@@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 48039194 MKEMMXRBMSHWGJ-GUYCJALGSA-N 334.372 1.458 0 40 EDAB O=C(Nc1nnc(C(F)(F)F)[nH]1)[C@@H]1CC(=O)N(c2ccccc2)C1 40511988 ZFNSDZBCVLUJHB-MRVPVSSYSA-N 339.277 1.815 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)N1CCC[C@H]1CO 78648196 FIBOWOFEMKLNLH-JTQLQIEISA-N 334.344 1.672 0 40 EDAB C[C@H]1CN(C)CCN1CC1CCN(C(=O)COc2ccccc2)CC1 85468179 WFXIYKUUEPRRBA-KRWDZBQOSA-N 345.487 1.940 0 40 EDAB C[C@H]1[C@@H](C)N(C(=O)c2ccc(OCC(=O)O)cc2)CC[S@@]1=O 595281609 OQUAMBYMXPHAOY-AUWXTCHYSA-N 325.386 1.132 0 40 EDAB Cc1nnc(SCC(=O)Nc2ccccc2Cl)n(N)c1=O 11207793 KGUQBCVMBPFOPY-UHFFFAOYSA-N 325.781 1.045 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NCC(C)C)c1 16575261 ZYPVYXOCMIUHJG-UHFFFAOYSA-N 344.433 1.097 0 40 EDAB COc1ccccc1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 19169207 OZSLUSYGBYFVQU-UHFFFAOYSA-N 334.397 1.914 0 40 EDAB CC[C@@H](CN1CCN(C)CC1)NC(=O)C1(c2cccc(F)c2)CC1 19365220 SCTMYCTYQRVYRZ-KRWDZBQOSA-N 333.451 2.000 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC(CCN2CCOCC2)CC1 19657431 MZSAXRFFDGOWSF-UHFFFAOYSA-N 335.448 1.795 0 40 EDAB CCn1ccc(C(=O)N2CCO[C@@](C)(C(=O)NC3CCCC3)C2)n1 19746840 CRUOVLPCNKZEPP-QGZVFWFLSA-N 334.420 1.193 0 40 EDAB CCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930024 IONDSFOLYIUHAZ-UHFFFAOYSA-N 348.852 1.885 0 40 EDAB C[C@@H](NC(=O)N[C@H](CO)Cc1ccccc1)C(=O)N1CCCC[C@H]1C 153274919 JBVFABOLHARZNQ-INMHGKMJSA-N 347.459 1.679 0 40 EDAB O=S1(=O)CC[C@@H](N(Cc2nccn2CC(F)(F)F)C2CC2)C1 71897146 FVBDTKDAMRXCGL-LLVKDONJSA-N 337.367 1.597 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)C1CN(c2cc(-n3cncn3)ncn2)C1 575604932 IJHKBHQSCCPXQC-GXTWGEPZSA-N 341.419 1.188 0 40 EDAB CN1CC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O 8068338 MLPVISHYTAXALX-UHFFFAOYSA-N 344.415 1.900 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(c2cnccn2)CC1 11546561 JZSLCYQWNAYLMH-CXAGYDPISA-N 340.383 1.354 0 40 EDAB O=C([C@H]1CN(c2ncccc2C(F)(F)F)CCO1)N1CCOCC1 1889096254 OJZFJTHNIGOFOY-GFCCVEGCSA-N 345.321 1.164 0 40 EDAB C[C@@]1(NS(=O)(=O)c2ccc(Cl)cc2F)CCS(=O)(=O)C1 7304305 KRLZJTSMCRRLAR-LLVKDONJSA-N 341.813 1.335 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)[C@@H]2CCCN2S(C)(=O)=O)o1 42000967 HEZSDULYARLESO-BNOWGMLFSA-N 340.445 1.785 0 40 EDAB Cc1c(F)cccc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 117047 QQORSQAFLLREKD-UHFFFAOYSA-N 344.389 1.582 0 40 EDAB COCCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4941587 KMAHBBULPLKPOG-UHFFFAOYSA-N 346.412 1.320 0 40 EDAB O=C(NCc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 16848166 ABZQWAIDKUULDS-UHFFFAOYSA-N 338.342 1.756 0 40 EDAB CN(C)S(=O)(=O)N1CCc2c(COCC3CC3)cncc2C1 2055781544 MSXUJNGPVLGULM-UHFFFAOYSA-N 325.434 1.173 0 40 EDAB CN(C(=O)c1ccc2nsnc2c1)C1CN(c2cnccn2)C1 1775972867 ZKIRIGOUFBYHKJ-UHFFFAOYSA-N 326.385 1.442 0 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1.936 0 40 EDAB CCCCNC(=O)CNC(=O)CN1C[C@H](c2ccccc2)CC1=O 3126744 OEDSMLDHWQWXQY-OAHLLOKOSA-N 331.416 1.035 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccc2c(c1)OCO2 42648606 OWMJBUNRLMCRFD-JQWIXIFHSA-N 340.401 1.017 0 40 EDAB O=C(COc1ccc2c(c1)CCC2)N1CCC(N2CCNC2=O)CC1 54595268 PAHNQQYGYOSRHT-UHFFFAOYSA-N 343.427 1.570 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccnc2)C1=O 24063531 SQEHFFAXCNXGMW-GOSISDBHSA-N 338.367 1.877 0 40 EDAB O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1cccc2cc[nH]c12 84493683 FFBKOYOZCSTDNU-UHFFFAOYSA-N 347.440 1.854 0 40 EDAB C[C@H]1CCCC[C@H]1OCCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 106525918 UTGDNZXBNUAGRF-GBJTYRQASA-N 334.482 1.525 0 40 EDAB COC(=O)C1(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CCCCC1 25171248 CVEVUQXHAUFNCE-NHYWBVRUSA-N 340.445 1.433 0 40 EDAB COc1ccc(N([C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 3247128 MZPDGAQFGWQYIF-NSHDSACASA-N 328.434 1.764 0 40 EDAB COc1cccc(CN2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)c1 107058096 QZXIUMNEZDINQB-HNAYVOBHSA-N 331.460 1.680 0 40 EDAB 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0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCc3nc(C4CC4)no3)C2)n1 72292374 RLVSHKPTEJKIED-AWEZNQCLSA-N 344.419 1.952 0 40 EDAB COC[C@H](C)NC(=O)COC(=O)c1cc(C2CC2)nc2onc(C)c12 97139505 PSRFUKKFGXFDMX-VIFPVBQESA-N 347.371 1.717 0 40 EDAB Cc1cc(CC(=O)NC[C@@H](O)c2ccc(OC(F)F)cc2)n[nH]1 89599146 XQXOBDILIVXMBV-CYBMUJFWSA-N 325.315 1.712 0 40 EDAB COc1cc(F)c(S(=O)(=O)NCCC[C@@H](C)CO)cc1OC 89895395 CWAXEHMBOQDFKE-SNVBAGLBSA-N 335.397 1.530 0 40 EDAB C[C@@H]1CCN(C)c2ccccc2N1Cc1nc(N)nc(N(C)C)n1 89930048 YGXFPKSNMVRGPL-GFCCVEGCSA-N 327.436 1.755 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)COc3cc(C)on3)CCO2)n1 76045856 BMAYJFGQFXNYSP-NSHDSACASA-N 335.364 1.033 0 40 EDAB Cc1ccn(-c2ccc(N3CCN(c4ncc(F)cn4)CC3)nn2)n1 353282893 RGJQLVISVHMKBJ-UHFFFAOYSA-N 340.366 1.226 0 40 EDAB CCN(CC)C(=O)N1CCC(C(=O)NCCNc2cnccn2)CC1 65406015 KRPYXFVABSMJQQ-UHFFFAOYSA-N 348.451 1.179 0 40 EDAB COCCNC(=O)c1nc(N2CCCC2)nc2c1CN(C(C)C)CC2 306144743 ZNNWNPDYKWZEIF-UHFFFAOYSA-N 347.463 1.220 0 40 EDAB Cc1ccc(OC[C@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1 69932843 OUSJKZSKVOQQIK-KBPBESRZSA-N 342.461 1.837 0 40 EDAB COc1cccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c1 408662925 MZAVOXDDVJOFFN-LIDJKPORSA-N 330.336 1.619 0 40 EDAB C[C@@H]1CO[C@@H](C(=O)N2CCN(c3cnc4ccccc4n3)CC2)C1 1056086132 DJNXYDMZCSNJRT-XJKSGUPXSA-N 326.400 1.703 0 40 EDAB CCC[C@@H](C)Nc1ccc(S(=O)(=O)NCCOC)cc1C(=O)O 217599209 DRJPSPUGJKBYQI-LLVKDONJSA-N 344.433 1.910 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(COC)C(=O)O 218447220 LTQODGRBUJRCGA-YRGRVCCFSA-N 332.805 1.958 0 40 EDAB CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCCc1ccccc1 33658428 SSZJTIMBRQVWQT-CYBMUJFWSA-N 335.404 1.114 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1ccc(NCCO)c(C(=O)O)c1 217657747 AEOMZJRXPSPPFJ-JTQLQIEISA-N 330.406 1.256 0 40 EDAB O=C(COc1ccccc1)NCCOc1cc(N2CCCC2)ncn1 36708014 NSEPPFHSURNYJW-UHFFFAOYSA-N 342.399 1.651 0 40 EDAB CNC(=O)c1cn[nH]c1C1(C)CCN(C(=O)C2CCOCC2)CC1 72388918 TZBUPRITEYKLHF-UHFFFAOYSA-N 334.420 1.076 0 40 EDAB CS(=O)(=O)CCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 75162065 MTHKGBLXCJYCIR-UHFFFAOYSA-N 328.821 1.915 0 40 EDAB COc1ccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccccc2)cc1 72321724 YIEXMUKHLBFROS-BRSBDYLESA-N 327.380 1.703 0 40 EDAB biogenic,in-vitro C[C@H](C(=O)NC(C)(C)C)N1CCC(C(=O)Nc2cnccn2)CC1 40554938 XBJFCRFTZDQALA-GFCCVEGCSA-N 333.436 1.430 0 40 EDAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3[nH]ncc3C2)c1 76957153 HBFMSMNVJAQINO-UHFFFAOYSA-N 339.804 1.665 0 40 EDAB O=C(OCCCc1nc2ncccn2n1)c1n[nH]c2c1CCCCC2 195579060 MSVRKTDJCFOYAK-UHFFFAOYSA-N 340.387 1.906 0 40 EDAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)[C@@H]1CC=CCC1 75170386 QRGFYCCTAHYFCI-CQSZACIVSA-N 326.462 1.663 0 40 EDAB O=C1CCSC[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)N1 75171445 LMTNNLLXNOTKEN-AWEZNQCLSA-N 335.429 1.083 0 40 EDAB O=C(N[C@@H]1CC[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1)c1cnsn1 1068254088 OKKUQDLCRKYRBC-JFGNBEQYSA-N 348.407 1.502 0 40 EDAB NC1(C(=O)N2CCC(c3cc(C4CCNCC4)[nH]n3)CC2)CCC1 571441027 AOYNCMDOSMMBTN-UHFFFAOYSA-N 331.464 1.464 0 40 EDAB C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 63090936 VEWOQOIDTRTFKW-YIZLIVJESA-N 328.478 1.645 0 40 EDAB CC(C)(C)[C@H](N)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 195543140 RKLPESUUILPNFZ-OAHLLOKOSA-N 335.423 1.874 0 40 EDAB COc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1ccccn1)COC3 96112576 LJAMONLPZPFQBM-LBPRGKRZSA-N 338.367 1.941 0 40 EDAB biogenic,in-vitro O=S(=O)(c1ccc(F)cc1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 96063684 BNGSUHLOJMYQDP-BETUJISGSA-N 348.403 1.373 0 40 EDAB Cn1ccnc1N1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1 96426903 OSCAQHADUIZMOF-UHFFFAOYSA-N 336.342 1.984 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)no1 96108787 YTUJDXCYLJFNOM-SJLPKXTDSA-N 336.432 1.875 0 40 EDAB CC1CCC(O)(CN2CCC[C@@H](CNS(=O)(=O)C(C)C)C2)CC1 96483279 LTFOFAJQMZEOBR-CGZBRXJRSA-N 346.537 1.967 0 40 EDAB CN(C)S(=O)(=O)N1CCC2(CC1)CO[C@@H](COCC1CC1)C2 96106036 HYHSCOCYCVBOBW-CQSZACIVSA-N 332.466 1.091 0 40 EDAB COc1ccc(C(=O)N2CCc3ncc(CN(C)C)n3CC2)cc1 96196812 TVQYNGMUMVDZIF-UHFFFAOYSA-N 328.416 1.652 0 40 EDAB CCC(=O)N1CCOC[C@@]2(CC[C@@H](CN(C)Cc3cccnc3)O2)C1 96160655 VYPVWYRKNIOFRU-PKOBYXMFSA-N 347.459 1.700 0 40 EDAB CC(=O)c1cn(Cc2cn3cc(Cl)ccc3n2)c(=O)n(C)c1=O 96472029 QTFOHAVVGOQUKV-UHFFFAOYSA-N 332.747 1.099 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1CN(Cc2ccco2)C[C@H]2OCC[C@H]21 96038904 BZLVDGVKCAQZQQ-RCCFBDPRSA-N 341.411 1.828 0 40 EDAB CO[C@H]1CCN(S(=O)(=O)c2cccc(C)c2)[C@H]1Cc1cnn(C)c1 96200606 NTGTZZOJQNNAQC-IRXDYDNUSA-N 349.456 1.749 0 40 EDAB CN(C)CCOC[C@H]1CN(C(=O)C[C@H]2C=CCC2)Cc2nnn(C)c21 96198531 GRMMASUGZOYRKB-LSDHHAIUSA-N 347.463 1.175 0 40 EDAB O=S(=O)(C[C@@H]1CCCCO1)c1nncn1CCc1cccs1 96451903 BBLRCHDNPVPYJT-LBPRGKRZSA-N 341.458 1.925 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@]2(CCCN(c3ccccc3)C2)C1 96226234 IVTAKCHUOLORDQ-SFHVURJKSA-N 326.400 1.921 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C/Cn1cncn1 585122006 KCAFBMYOCWHWSE-MPNRVQBSSA-N 339.443 1.957 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2C[C@H](O)COc2ccc(F)cc2)n1 69779445 KCYSCUFVXYOADU-SJORKVTESA-N 348.422 1.938 0 40 EDAB COCc1c(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)noc1C 257260675 LDWGVXCOKYAXAO-AWEZNQCLSA-N 346.387 1.393 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)cn1 257302567 SDKLBMYGZFSNKA-GOSISDBHSA-N 341.415 1.284 0 40 EDAB Cc1nc2ccc(C(=O)N3CCO[C@H](c4nccnc4N)C3)cc2[nH]1 257259001 KWKCEBUGXHYCOD-AWEZNQCLSA-N 338.371 1.457 0 40 EDAB Cc1cncc(C2CCN(C(=O)CN3CCCCCC3=O)CC2)n1 257221736 DQHGOYCHCWTADK-UHFFFAOYSA-N 330.432 1.894 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1 257296491 RDCBDAYNXYNRIX-ZDUSSCGKSA-N 348.428 1.536 0 40 EDAB Cc1nc(CC(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)cs1 257209806 BRYJCQBYZWNVTJ-QGZVFWFLSA-N 346.456 1.489 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1)c1cccnc1 252509386 YMTWPWOAYKHQSG-ZMSDIMECSA-N 344.459 1.292 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@H]2COCc1ccccn1 253488789 BVIVKMFUAOVRAS-ZDUSSCGKSA-N 326.418 1.039 0 40 EDAB Cc1ocnc1C(=O)N1CCO[C@@H](CCc2ccnc(N(C)C)c2)C1 257315139 VAARHKPKPPDAAW-HNNXBMFYSA-N 344.415 1.918 0 40 EDAB CCOC(=O)[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)CC 252513924 AWWJMCMDZGGYOW-BZPMIXESSA-N 331.821 1.501 0 40 EDAB Cc1cc2nccc([C@@]3(C)CCCN3C(=O)CN3CCOCC3)n2n1 257282932 OVXVHTABDMYNAU-GOSISDBHSA-N 343.431 1.208 0 40 EDAB OC[C@H]1[C@H](O)C[C@@H](NC2CCCC2)[C@@H]1Cc1ccnc(C2CC2)n1 604382210 KVVODTDSDBMMPK-BRSBDYLESA-N 331.460 1.787 0 40 EDAB biogenic,in-vitro Cn1cc(-c2ccoc2C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)cn1 1615605906 MKTDBMZCDJZORK-GIFSMMMISA-N 329.356 1.909 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)CC2CCOCC2)CCO1 585278022 OXUGZMLKTICWMQ-FQEVSTJZSA-N 347.455 1.944 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585095716 FHKOJFUWIAWWFM-VHDGCEQUSA-N 332.404 1.367 0 40 EDAB COCCN1CCC2(CC1)CN(C(=O)c1c(C)noc1C)CCO2 585101273 PJSIMWOHWGYFFN-UHFFFAOYSA-N 337.420 1.245 0 40 EDAB O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCCCC2)C1 585282804 HYGGYCHDAAINGQ-PKOBYXMFSA-N 332.444 1.039 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)c3ccncc3)CCO2)c1 585277424 WHZJNUULZLBSFY-IBGZPJMESA-N 326.396 1.836 0 40 EDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)NCCc2ccc(Cl)cc2)[C@@H]1O 585281323 WDFYFLLYYXJPBE-OAGGEKHMSA-N 338.835 1.617 0 40 EDAB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 585289362 IJTIIYLXFVKJLO-ZEWWTIJFSA-N 343.431 1.470 0 40 EDAB CCn1cc(C(=O)N2CC[C@@H](OC)[C@H](CC(N)=O)C2)c(C2CC2)n1 585278084 ZLAXCQNCNYMUMT-TZMCWYRMSA-N 334.420 1.133 0 40 EDAB CCc1nc(CN2CCC[C@@H](Nc3ncnc4c3cnn4C)C2)no1 69418310 LCIPZMQHSFCYAQ-LLVKDONJSA-N 342.407 1.385 0 40 EDAB COCCOc1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cn1 72299443 PWWJZAUJCAPBLI-AWEZNQCLSA-N 331.376 1.176 0 40 EDAB O=C(CN1C(=O)CCCc2ccccc21)N[C@H]1CCc2nccn2C1 72284570 NJPZKJDOTUIAKI-HNNXBMFYSA-N 338.411 1.684 0 40 EDAB CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccn(C)n1 52528097 XFPPMAKQYONZBS-MRXNPFEDSA-N 330.388 1.578 0 40 EDAB CCCn1cc(NS(=O)(=O)c2cccc3nn(C)nc23)ccc1=O 1615614564 OWOTYIKKHZLSRM-UHFFFAOYSA-N 347.400 1.341 0 40 EDAB O=C(NC[C@@H](O)CN1CCCC1=O)c1ccc(F)c2cccnc12 1615590826 QISSYZSGDNBQBF-LLVKDONJSA-N 331.347 1.087 0 40 EDAB C[C@H](N[C@H](C(N)=O)c1ccccc1)C(=O)N1CCc2sccc2C1 1615588083 BZROAJGQNKKRJG-LRDDRELGSA-N 343.452 1.838 0 40 EDAB Cc1occc1-c1nn(C2CCN(S(C)(=O)=O)CC2)c(=O)o1 12740205 SNLAJSMKCTVXRL-UHFFFAOYSA-N 327.362 1.001 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CCNC4)C2)cc1 19209303 JINIBJGBOGWVJY-INIZCTEOSA-N 336.439 1.989 0 40 EDAB COc1ccccc1S(=O)(=O)N1CC[C@@H]2NC(=O)CCCC[C@H]21 19713220 YOVUTGLYRZNTTK-QWHCGFSZSA-N 338.429 1.517 0 40 EDAB C[C@@H]1CCCCN1CC(=O)Nc1cnn(CC(=O)N2CCCC2)c1 19746107 OLJCUVCZFOMNLS-CQSZACIVSA-N 333.436 1.318 0 40 EDAB Nc1nn(Cc2ccccc2)cc1C(=O)NCCCN1CCCC1 5603761 ZITSUROQJAOBDO-UHFFFAOYSA-N 327.432 1.729 0 40 EDAB COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(C(=O)O)c1 565303496 OERITCBPSCANTI-LBPRGKRZSA-N 330.344 1.388 0 40 EDAB CCSc1nnc(NC(=O)c2nc3nc(C)cc(C)n3n2)s1 2626218 OSJIHZZCXQYIBZ-UHFFFAOYSA-N 335.418 1.957 0 40 EDAB COc1ccc(-c2nnc(SCC(=O)N3CCCC3)n2N)cc1 3406369 WCZZGKJWOBNTKM-UHFFFAOYSA-N 333.417 1.382 0 40 EDAB CN(Cc1ccco1)C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 7676021 HAWILSLKPCWQGW-UHFFFAOYSA-N 341.323 1.332 0 40 EDAB O=C([C@H]1CN(Cc2csc(C3CC3)n2)CCO1)N1CCOCC1 1889108412 CCSBWKRGUQIBPZ-CQSZACIVSA-N 337.445 1.080 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)NC[C@@H]3CCCO3)n2)cn1 238812737 ARWDNPJQVVUROP-LBPRGKRZSA-N 347.375 1.509 0 40 EDAB O=S(=O)(Cc1cccc(Cl)c1)N1CC(Nc2ncccn2)C1 238811172 AIQMNZUSCRSTLH-UHFFFAOYSA-N 338.820 1.756 0 40 EDAB CN1C(=O)c2cccnc2C12CCN(C(=O)c1csnn1)CC2 1565554520 UFSQJTCALXMRRB-UHFFFAOYSA-N 329.385 1.150 0 40 EDAB Cc1ccc(-c2nnc(NC(=O)CN3C(=O)CCC3=O)o2)c(C)c1 5169625 SXVUSBFDTFLHHH-UHFFFAOYSA-N 328.328 1.441 0 40 EDAB COc1cc(OC)cc(-c2nnc(NC(=O)c3ccn(C)n3)o2)c1 11695548 QJRWHMKLAAZSJL-UHFFFAOYSA-N 329.316 1.740 0 40 EDAB Cn1cc(CN[C@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)cn1 2055746148 RMPCKJGHRSEYGV-AWEZNQCLSA-N 343.431 1.728 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2)(n2cccn2)CC1 2055708088 GGMXLVGUSAPSKJ-UHFFFAOYSA-N 348.428 1.273 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)c1 225703522 ZWEKPKLQTBVYLD-GFCCVEGCSA-N 338.385 1.045 0 40 EDAB O=S(=O)(c1ccccc1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575611130 AOGQVSRJYQWLPI-CYBMUJFWSA-N 337.376 1.848 0 40 EDAB O=C(Cc1cccc2ccccc12)N1CC(CN2C(=O)CCC2=O)C1 618255803 JEBPPWMKJPWZNT-UHFFFAOYSA-N 336.391 1.990 0 40 EDAB Cc1csc(=O)n1CC(=O)N1CCN(C)C[C@H]1c1ccccc1 30030213 KDHOPYNSTUSARH-HNNXBMFYSA-N 331.441 1.734 0 40 EDAB C[C@@H]1COCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 40086261 UJYDDDRJUVLBDF-SECBINFHSA-N 325.308 1.995 0 40 EDAB O=C(CCn1cccn1)Nc1ccc(CN2C(=O)CCC2=O)cc1 30231760 GCXLBABQFPRQTM-UHFFFAOYSA-N 326.356 1.561 0 40 EDAB CC(C)N(C)S(=O)(=O)NCCOc1cccc2c1OC(C)(C)C2 40105691 BVBBWHZYTCCMPO-UHFFFAOYSA-N 342.461 1.954 0 40 EDAB C[C@H](OCC1CC1)C(=O)NCc1cccc(OCC(=O)NC2CC2)c1 50384269 AAJJASNKJQPTFD-ZDUSSCGKSA-N 346.427 1.775 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)Cn2c(C)cc(=O)n3ncnc23)c1 40498030 DYTBIPFMFAFTLP-CQSZACIVSA-N 328.372 1.256 0 40 EDAB COCCNC(=O)c1cn(-c2cccc(Br)c2)nn1 40505707 UEGGJHSIMZQQOD-UHFFFAOYSA-N 325.166 1.406 0 40 EDAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1 40541489 SUCXEDUVIAIIHZ-LBPRGKRZSA-N 327.384 1.833 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)[C@@H](C)C(=O)NCc1ccccc1 40528414 AQTCYUNBYADMQF-ZDUSSCGKSA-N 336.413 1.911 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)c1 32469529 DFEWMPQYPYUTQZ-GFCCVEGCSA-N 339.413 1.663 0 40 EDAB COC(=O)NCC(=O)OCC(=O)Nc1ccc(N2CCCC2)cc1C 52013001 IFYSCEHOSLKWIB-UHFFFAOYSA-N 349.387 1.433 0 40 EDAB COCC(=O)N1CCN(c2nn3cc(C(C)(C)C)nc3s2)CC1 52361394 GJELZWRYUPYCIF-UHFFFAOYSA-N 337.449 1.383 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCOC3)CC2=O)cc1OC 41367286 JJPDQDPKGGVELN-STQMWFEESA-N 348.399 1.209 0 40 EDAB Cc1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 505849 XTQQTRRJQVFEDL-UHFFFAOYSA-N 330.365 1.778 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N3CCO[C@H]4CCC[C@H]43)cnc12 53379093 QRDVRCDUZCPQHC-CVEARBPZSA-N 341.411 1.875 0 40 EDAB COC(=O)c1cc(CNC(=O)N2CCC3(CC2)OCCO3)oc1C 47017228 OVHZBIAYJMRPFW-UHFFFAOYSA-N 338.360 1.423 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 12323635 OGDNEECVWWFPOE-UHFFFAOYSA-N 334.420 1.981 0 40 EDAB CCOC(=O)c1cnc(SCC(=O)N2CCCC[C@H]2C)nc1N 419240 FQSZPOFUVCTIPE-SNVBAGLBSA-N 338.433 1.729 0 40 EDAB Cn1nc(C(=O)N2CCN(CCc3ccccn3)CC2)c2ccccc21 79501591 PXQRBEMKNNEEAM-UHFFFAOYSA-N 349.438 1.969 0 40 EDAB O=C(NC1CCC(O)CC1)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 12565196 CFVPXYZXLLLHER-ZUEPYMLJSA-N 329.400 1.641 0 40 EDAB Cc1cc(C)c(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 23544275 FCSRTWGEJUTNKQ-UHFFFAOYSA-N 340.383 1.242 0 40 EDAB CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 23625747 RFKZGKNYSMBMST-STQMWFEESA-N 338.385 1.664 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 24095531 ULWMMDMJBXKUAR-OAGGEKHMSA-N 329.396 1.994 0 40 EDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2cccc(F)c2)C(=O)N1 10385053 DCCYDGDAMSEEDO-NEPJUHHUSA-N 340.376 1.318 0 40 EDAB c1nc(NC[C@@H]([C@H]2CCOC2)N2CCOCC2)c2sccc2n1 24204575 BFPKRPHIJQQFBT-JSGCOSHPSA-N 334.445 1.841 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(O)nn3)CC2)c(F)c1 24217560 JKTLCQHJXRXUHX-UHFFFAOYSA-N 344.346 1.486 0 40 EDAB C[C@H]1CN([C@H](C)CNC(=O)NCc2cccnc2N(C)C)C[C@@H](C)O1 106091898 CUSXAZAEFJGMLZ-KFWWJZLASA-N 349.479 1.445 0 40 EDAB COC(=O)N1CCCN(C(=O)[C@H](Cc2ccccc2)N(C)C)CC1 71882448 AETAENDGZQRENH-INIZCTEOSA-N 333.432 1.460 0 40 EDAB O=C(c1nnc2sc(-c3ccccc3F)nn12)N1CCOCC1 57354657 JYWOGZXBOHLQLW-UHFFFAOYSA-N 333.348 1.464 0 40 EDAB COc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)ccn1 25090074 MXUATADYQAHHRR-UHFFFAOYSA-N 349.412 1.027 0 40 EDAB O=C(NCCCOCCc1ccccc1)[C@@H]1CC(=O)N(C2CC2)C1 55783811 UISYZGOJMFTHPA-MRXNPFEDSA-N 330.428 1.763 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@H]3CCc4ccccc43)CCO2)n1 83829814 MRXBQABLAQNFQN-LSDHHAIUSA-N 326.400 1.997 0 40 EDAB CO[C@H](CNC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccccc1 43520572 NJJCBVSTMMSUTH-QGZVFWFLSA-N 339.395 1.844 0 40 EDAB O=C(c1cccnc1N1CCCC1)N1CCN(c2cnccn2)CC1 25834550 YVBOCPFVIPYZFZ-UHFFFAOYSA-N 338.415 1.434 0 40 EDAB CCOc1ncccc1C(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 71915392 DIFOOFRPHCFJEY-VIFPVBQESA-N 331.294 1.373 0 40 EDAB CCn1nc(C)cc1C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 71903902 TXVPWECWSPWHPF-ZDUSSCGKSA-N 336.461 1.391 0 40 EDAB COc1ccc(NC(=O)NCc2ccccc2C)cc1S(N)(=O)=O 71912138 FAWBWGAGALKEIX-UHFFFAOYSA-N 349.412 1.973 0 40 EDAB CN(Cc1cccc(Cl)c1)C(=O)c1cnc2nc(O)[nH]c(=O)c2c1 48183066 HAIXFXDYOXZXOL-UHFFFAOYSA-N 344.758 1.949 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)Nc1ccc(-n2cncn2)nc1 48132875 WFDCIVZESQFGNC-AWEZNQCLSA-N 336.355 1.788 0 40 EDAB COC(=O)CC12C3[C@@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 100716956 KVZLCQLDCJROEQ-QHHVMTBMSA-N 327.174 1.178 0 40 EDAB COc1ccc(CNC(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1OC 58077758 QMAUVFKNTCRQEM-LLVKDONJSA-N 337.420 1.806 0 40 EDAB COc1ccc(OC)c2c1CN(C(=O)NC[C@@H]1CCCO1)C[C@@H]2O 48286699 GBAJIIDAZNVPMH-AAEUAGOBSA-N 336.388 1.441 0 40 EDAB O=C(CC1(N2CCOCC2)CCCC1)NCc1cn2ccccc2n1 118887494 YNPFXRGUYWEJKL-UHFFFAOYSA-N 342.443 1.986 0 40 EDAB COC(=O)[C@H]1CCCCN1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 27561536 JGLWLKQFVASWIH-OAHLLOKOSA-N 347.415 1.354 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NCCC(=O)NCc2ccccc2)C1 58279879 CLJGLEYOAKDZLA-CQSZACIVSA-N 339.461 1.259 0 40 EDAB CN(CC(=O)NCCn1cnc2ccccc21)C(=O)c1cccs1 58245968 LHKXMHARMSIULT-UHFFFAOYSA-N 342.424 1.986 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)c1cn(-c2ccccc2Cl)nn1 58279261 YGXBBUFFWOXPPU-UHFFFAOYSA-N 335.795 1.471 0 40 EDAB COc1ccc(OC)c(C(=O)N[C@H](C)C(=O)NCc2ccco2)c1 58305230 QKGWISRGZPUNTO-LLVKDONJSA-N 332.356 1.732 0 40 EDAB COc1cccc(CC(=O)N2CCN(C(=O)CCOC(C)C)CC2)c1 58341712 PZIAFIJWYAHLOB-UHFFFAOYSA-N 348.443 1.724 0 40 EDAB Cc1ccn2cc(CNS(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)nc2c1 58420940 CMNZBHKXMAHSSX-KBPBESRZSA-N 336.461 1.955 0 40 EDAB O=C(O)CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O 3356178 ZYGRXPRLVYQFGD-ZDUSSCGKSA-N 337.353 1.436 0 40 EDAB Cc1ccc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)s1 108534117 HUNFMPHBZNXGJW-UHFFFAOYSA-N 342.486 1.991 0 40 EDAB COc1ncccc1NC(=O)CN1C(=O)CCOc2ccccc21 36392516 JZTBLBUBPUKOPU-UHFFFAOYSA-N 327.340 1.844 0 40 EDAB C[C@@]1(c2cccs2)NC(=O)N(C[C@H](O)COc2ccccc2)C1=O 48345616 ULEWAXZDQCFLQM-SJCJKPOMSA-N 346.408 1.955 0 40 EDAB CCOCC(=O)N1CCC[C@@]2(CC1)CCN(Cc1cccnc1)C2=O 108532582 VKIHDIZCDLEQFO-LJQANCHMSA-N 345.443 1.849 0 40 EDAB CN(C)C(=O)Cn1c(=O)cc(C(F)(F)F)n2c3ccccc3nc12 36621336 DEDIBBHCZYXWDE-UHFFFAOYSA-N 338.289 1.756 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3)cc1 60214565 QFZUDSFZRJFJLE-UHFFFAOYSA-N 344.392 1.727 0 40 EDAB O[C@@H](COc1ccc(F)cc1)CN1CCN(c2ccccn2)CC1 46341866 MYAXZAZIPXRUPV-MRXNPFEDSA-N 331.391 1.783 0 40 EDAB C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)N1CCOCC1 29957584 MNYMDWGPOVDYSU-LBPRGKRZSA-N 349.456 1.571 0 40 EDAB in-vitro Cc1ccc(N2C(=O)NC(=O)/C(=C3\C(=O)Nc4ccccc43)C2=O)cc1 408785674 YCLRVVUCNVCALL-CCEZHUSRSA-N 347.330 1.984 0 40 EDAB C[C@H](NC(=O)COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccccc1 408654185 JZZLCAIUZAFEQN-OBXMLSIUSA-N 343.379 1.605 0 40 EDAB Cc1ccc(CN(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C(C)C)o1 93159527 KATBUCIKPFSGRW-UHFFFAOYSA-N 345.403 1.272 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1=O 65592198 YVAAOJUGZBAYDW-OAHLLOKOSA-N 345.443 1.686 0 40 EDAB CCOCCN(CC(=O)N(C(C)C)C(C)C)C[C@H](C)C(=O)OC 65522381 LTIGDQFZQNSONQ-HNNXBMFYSA-N 330.469 1.779 0 40 EDAB NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC(c2ccn[nH]2)CC1 65541118 DENSIECNNRHFMC-OAHLLOKOSA-N 327.388 1.525 0 40 EDAB CN(C)C1CCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1 65534384 ZSKIJAWLUJUWDK-UHFFFAOYSA-N 335.404 1.530 0 40 EDAB O=C(Nc1ccc[nH]c1=O)[C@@H]1CSCN1C(=O)c1ccccc1 65534206 FUIIHXMTTXNGJL-ZDUSSCGKSA-N 329.381 1.529 0 40 EDAB CCn1nnnc1SCC(=O)N(C)C[C@H]1COc2ccccc2O1 14161115 IDCQVKARXNTJOV-NSHDSACASA-N 349.416 1.084 0 40 EDAB O=C(Nc1ccccc1)c1ccccc1OCC(=O)N1CCNC1=O 6460966 SEAUWIVXVCFQNM-UHFFFAOYSA-N 339.351 1.870 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)CCNC(=O)OC(C)(C)C)c1 14518696 QERCSHUXJNZPSP-UHFFFAOYSA-N 346.391 1.730 0 40 EDAB CC(=O)c1ccc(NC(=O)C[C@@H]2N[C@H]3CCCC[C@@H]3NC2=O)cc1 4815625 IDBSMNWITVOZEX-JYJNAYRXSA-N 329.400 1.617 0 40 EDAB COC[C@H](C)NC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 66982419 WWWYGZLTSUIDAY-BBRMVZONSA-N 339.411 1.533 0 40 EDAB O=C(NCCCN1CCCC1=O)c1[nH]nnc1Nc1ccccc1F 67283843 DENZXBLIJGNYCA-UHFFFAOYSA-N 346.366 1.430 0 40 EDAB Cc1cc(NC(=O)CCN2CCC[C@@H](Cc3nccn3C)C2)no1 90004055 MTCQPRYUQCFWJQ-AWEZNQCLSA-N 331.420 2.000 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C1CC1 7279012 XTXVAQRTGYYTTM-ADLMAVQZSA-N 327.384 1.295 0 40 EDAB Cc1cc(C)nc(SCC(=O)OCC(=O)NCC(F)(F)F)n1 7787078 DTSASYGDTGYEGC-UHFFFAOYSA-N 337.323 1.407 0 40 EDAB CCNC(=O)[C@H]1CCCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1 68900702 CGIBRXWFVNOZBD-NSHDSACASA-N 346.435 1.227 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCc2nncn2C(C)C)cc1 70007308 XFZJUBSMYGGRRT-UHFFFAOYSA-N 338.433 1.779 0 40 EDAB COc1ccc(NC(=O)c2cccnc2OC)cc1-n1nnnc1C 69326490 UCMLTPZZXAJLIO-UHFFFAOYSA-N 340.343 1.635 0 40 EDAB O=C(COC(=O)c1ccccc1-n1cnnn1)NC1CCCCC1 8323803 JGWPYTOWPYRRND-UHFFFAOYSA-N 329.360 1.268 0 40 EDAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N1CCc2ccccc21 8328104 IFBDDBVXBHBNCH-ZDUSSCGKSA-N 345.428 1.534 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1N1CCOCC1 69438249 DVGVRJDWUBSUOM-UHFFFAOYSA-N 349.431 1.778 0 40 EDAB O=c1c2ccc(F)cc2ncn1Cc1cc(=O)n2ccsc2n1 8485707 BAAKXKLMOCKWJC-UHFFFAOYSA-N 328.328 1.653 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)Cn1c(-c2cccs2)noc1=O 69582070 AHGJNABECUQCRJ-UHFFFAOYSA-N 333.373 1.554 0 40 EDAB CCOc1cccc2c1OC[C@H](C(=O)NCCC(=O)N1CCCC1)C2 69518606 TVUVSCPWHYPJHS-OAHLLOKOSA-N 346.427 1.765 0 40 EDAB C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(Br)cn2)C(=O)O1 69569528 RLXLSYCJCXUYQK-SCZZXKLOSA-N 342.193 1.418 0 40 EDAB COc1ccc(N[C@H]2CC(=O)N(c3ccc(OC)nc3)C2=O)cc1 69569830 VBPATWCBVXGISO-AWEZNQCLSA-N 327.340 1.843 0 40 EDAB CCc1nnc2n1C[C@H](CNCCS(=O)(=O)c1ccccc1)CC2 69652215 BJJPNCHMNBPRQL-AWEZNQCLSA-N 348.472 1.466 0 40 EDAB CS(=O)(=O)CCOc1cccc(NC(=O)NCc2ccncc2)c1 69653464 CWTVBJDMOMLBCV-UHFFFAOYSA-N 349.412 1.827 0 40 EDAB O=C(c1occc1CN1CCOCC1)N1CCC[C@@H](n2ccnc2)C1 69656614 NXHZVCYIEFPXQR-MRXNPFEDSA-N 344.415 1.786 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](C)C2CC2)C1=O 8502913 CQKSWLWHOQRLNL-KZULUSFZSA-N 329.400 1.758 0 40 EDAB CC(C)(C)c1cn2nc(NCC3(C(N)=O)CCOCC3)sc2n1 69777674 NOJVZTLZMKUJJR-UHFFFAOYSA-N 337.449 1.782 0 40 EDAB CCCCC(=O)N1CCN(CC(=O)N2CCOc3ccccc32)CC1 69739446 RDIHTDRDKVFENU-UHFFFAOYSA-N 345.443 1.746 0 40 EDAB CCCn1nnnc1CN(CC)[C@H]1CCN(c2ccccc2)C1=O 71893042 PXGBBXNDYMDHBH-HNNXBMFYSA-N 328.420 1.711 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C 69848005 NEXOEEYFMNWIIS-LLVKDONJSA-N 345.465 1.233 0 40 EDAB CC1CCN(C[C@@H](O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1 71825022 FOCCFDBGJAGPEX-OAHLLOKOSA-N 337.464 1.676 0 40 EDAB Cc1ccc(OCC(=O)N2CCN(Cc3nc(C)no3)CC2)cc1 71850016 QZBSWZUOQKMDOC-UHFFFAOYSA-N 330.388 1.410 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1ccc(-n3cnnc3)cc1)C2 71864941 LTBGSRIYOSIXHX-UHFFFAOYSA-N 337.387 1.638 0 40 EDAB CCN1CCC(NC(=O)CN2CCCC[C@H]2Cn2cccn2)CC1 69929721 JTHUMGGYZRGOHB-KRWDZBQOSA-N 333.480 1.338 0 40 EDAB NS(=O)(=O)CCSc1nnc(-c2cccs2)n1C1CC1 69979699 RKGYNRNDCRKQSW-UHFFFAOYSA-N 330.460 1.722 0 40 EDAB CCc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(COC(C)=O)O1 409307113 RDPFSESCAHRXRE-OLMMMNRUSA-N 341.363 1.625 0 40 EDAB C[C@@H](Cn1cccn1)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 97095500 CNHKTMRCMNECAF-SOUVJXGZSA-N 346.435 1.216 0 40 EDAB CN1CCN(C2CCN(Cc3nc(=O)c4ccccc4[nH]3)CC2)C1=O 72268118 XVVSHKNSNRPWPM-UHFFFAOYSA-N 341.415 1.255 0 40 EDAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)C1CCN(C(=O)C2CC2)CC1 72295554 QFOIHASGVVHASN-XHSDSOJGSA-N 334.460 1.955 0 40 EDAB Cc1cnn(C2CN(C[C@@H](O)COc3ccc4c(c3)OCO4)C2)c1 72253888 XKMGJARFFYYISE-CQSZACIVSA-N 331.372 1.217 0 40 EDAB Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC2CC2)s1 84205622 BZBRQEKWMLEKHA-LLVKDONJSA-N 346.499 1.646 0 40 EDAB Cc1cc(N2CCN(CC(F)(F)F)CC2(C)C)n2ncnc2n1 95460578 OSUHOTYWVPCLSY-UHFFFAOYSA-N 328.342 1.896 0 40 EDAB CSc1nc(C)c(CCC(=O)Nc2cccnc2N(C)C)c(=O)[nH]1 97140103 WGXVTODJGVSZFN-UHFFFAOYSA-N 347.444 1.833 0 40 EDAB Cc1nscc1C(=O)N1CCN(C(=O)Cc2ccccn2)CC1 95458634 PHBUQEYLWISDIU-UHFFFAOYSA-N 330.413 1.374 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2nccn2C(F)F)o1 72307375 DEQHIWFZNFHXMS-UHFFFAOYSA-N 335.288 1.136 0 40 EDAB CC(C)c1nccn1CC(=O)Nc1cc(-n2cnnn2)ccc1F 97236170 YMOCESUXNOGAKP-UHFFFAOYSA-N 329.339 1.760 0 40 EDAB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N[C@@H]1CCc2[nH]ncc2C1 95421773 FNOQVPPRMRSCNZ-KGLIPLIRSA-N 339.399 1.372 0 40 EDAB COCCN(C)C(=O)[C@@H]1CCCN(c2nc(C(C)C)ns2)C1 95408591 FZLKCOCUASSJFM-GFCCVEGCSA-N 326.466 1.983 0 40 EDAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)CC[C@H]1NC(=O)NC1=O 97931242 AQXLHVAIBIVMOJ-TZMCWYRMSA-N 331.416 1.847 0 40 EDAB O=C(C[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 85482896 GWGMUSDXAHDTDD-CABCVRRESA-N 335.425 1.685 0 40 EDAB CN(C[C@@H]1CCC[C@H]1O)C(=O)NCc1nccn1CC(F)(F)F 95974456 BWORUMJVKXPAON-WDEREUQCSA-N 334.342 1.748 0 40 EDAB CCS(=O)(=O)NCCCN1CCN(c2ncccc2Cl)CC1 95973421 VKYVSWHYTIVNJN-UHFFFAOYSA-N 346.884 1.186 0 40 EDAB CC(=O)N1CCC(NC(=O)NCCN(C)C(=O)OC(C)(C)C)CC1 75127692 AQTNMVSFSOTKKP-UHFFFAOYSA-N 342.440 1.163 0 40 EDAB CC(=O)C[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 89894475 SZDPBOOUMYWTCH-QGHHPUGFSA-N 349.362 1.077 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 89938047 MNSSDCNJAUSUGD-NSHDSACASA-N 330.837 1.276 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H]3CCOc4ccccc43)CCO2)n1 76044821 DPLYTYZVDUJAMN-ZFWWWQNUSA-N 328.372 1.579 0 40 EDAB CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc[nH]c3=O)CC2)no1 76017891 JHUZAQMOYAVVJE-UHFFFAOYSA-N 345.403 1.013 0 40 EDAB Cc1cc(CN2Cc3cncn3[C@H](C(=O)N3CCCC3)C2)n(C)n1 306123646 ASXRCRMVCZNJDW-INIZCTEOSA-N 328.420 1.104 0 40 EDAB CC(C)C[C@H](C)Oc1cc(CNC(=O)N2CCNC(=O)[C@H]2C)ccn1 111871700 HFAKRJRYFSANRQ-UONOGXRCSA-N 348.447 1.925 0 40 EDAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)OCO2 25047498 AADJJXOTXXTPLM-CQSZACIVSA-N 343.335 1.635 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 408593313 PXISSRLVDMWQIG-ZDUSSCGKSA-N 342.461 1.913 0 40 EDAB CN(C)C(=O)c1ccnc(NCc2cnc(N3CCCC3)nc2)c1 547961158 QVJUELNRXUAWHJ-UHFFFAOYSA-N 326.404 1.786 0 40 EDAB Cc1ccc(NC(=O)Cn2cnc3c(C)n(C)nc3c2=O)c(C)c1 32647349 IISGXMGAZWWLDL-UHFFFAOYSA-N 325.372 1.694 0 40 EDAB COC(=O)[C@H](F)Cn1cnc2c(Br)cccc2c1=O 128237888 INYPJHYEBJYTBJ-SECBINFHSA-N 329.125 1.670 0 40 EDAB O=C1/C(=C\c2cccs2)N=C(S)N1CN1CCC[C@H](CO)C1 33493195 VJUNXPAQVWNAFR-DELQEKLWSA-N 337.470 1.879 0 40 EDAB Nc1nccnc1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 32828579 FNITULLHGYEESD-UHFFFAOYSA-N 334.339 1.958 0 40 EDAB CNC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)NCC1CCC(F)CC1)C2 1553344240 CLPWBHGLLAJDSP-ICEJCHNJSA-N 341.427 1.309 0 40 EDAB CC(C)c1noc(CCNC(=O)C(=O)Nc2c(F)cccc2F)n1 77842605 YZDMDSYKFVXYFK-UHFFFAOYSA-N 338.314 1.769 0 40 EDAB CC(C)C(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 32898717 OBFNOIIYLUOWND-LBPRGKRZSA-N 335.379 1.067 0 40 EDAB O=C1c2cnc(N3CCC(O)CC3)nc2CN1Cc1cccc(F)c1 72260038 PHNOBWPSRYELKX-UHFFFAOYSA-N 342.374 1.733 0 40 EDAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)c2cccs2)c1=O 38486401 JWUZLUSFWZEVHY-UHFFFAOYSA-N 331.397 1.935 0 40 EDAB Cc1cc([C@H](O)CNC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)o1 1565519954 AETGSCMVICHJLJ-BLLLJJGKSA-N 330.384 1.923 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@]1(COC)C(=O)O 218148679 BTXAAJYKDNSGIM-KCQAQPDRSA-N 342.369 1.033 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)Nc1ccc(Cn2cccn2)cc1 79028710 LHWRDQFXXKMHTA-CYBMUJFWSA-N 325.376 1.733 0 40 EDAB NC[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218577037 RDDKBKLXRXKVJK-PMPSAXMXSA-N 336.844 1.936 0 40 EDAB CN1C[C@H](C(=O)Nc2ccc(Cc3nnc4ccccn34)cc2)CC1=O 78881620 KTNSXOVGTFECPZ-CQSZACIVSA-N 349.394 1.737 0 40 EDAB CCN1C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)n3)cc21 227167608 GZMBWYMMINVZTI-UHFFFAOYSA-N 347.396 1.936 0 40 EDAB CN1CCN(c2ccc(NC(=S)NCc3ccco3)cn2)CC1 223902378 HOTSIXLZOKIVLT-UHFFFAOYSA-N 331.445 1.913 0 40 EDAB c1ccc(Cc2noc(CN3CCN(c4cnccn4)CC3)n2)cc1 48333735 BFFQIIGBXQTLOT-UHFFFAOYSA-N 336.399 1.773 0 40 EDAB CC(=O)Nc1cc(Cl)c(C)cc1S(=O)(=O)N1CCOCC1 41096449 CQTWSLARGKZRPM-UHFFFAOYSA-N 332.809 1.628 0 40 EDAB Cc1ccc2nc(CN3CCO[C@H](c4noc(C)n4)C3)cc(=O)n2c1 329533809 YHSUEKLBVVFEJF-AWEZNQCLSA-N 341.371 1.268 0 40 EDAB COc1ccccc1N1CCN(CC(=O)N[C@H]2CCSC2=O)C1=O 49026347 UZSGJHIYURPYGN-NSHDSACASA-N 349.412 1.086 0 40 EDAB Cn1cc(NC(=O)Cc2cccc(Cl)c2Cl)c(=O)n(C)c1=O 193155456 IUHBLDFERDQANY-UHFFFAOYSA-N 342.182 1.572 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3cccnc3NC(C)C)CC2)n[nH]1 96444745 IIVNDTXMPBYWAF-UHFFFAOYSA-N 343.435 1.286 0 40 EDAB Cn1cccc1C(=O)NCc1cnc2n1CCN(CC1CC1)CC2 96197071 VORNNMXRAPVGCY-UHFFFAOYSA-N 327.432 1.420 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCC[C@H](Nc3ccc(N)nc3)CC2)n1 583621863 GEYPTGGYLRRCES-HNNXBMFYSA-N 342.447 1.970 0 40 EDAB Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C2 96430731 FMESYMWTBMMNFO-WMZOPIPTSA-N 338.407 1.820 0 40 EDAB c1cncc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1 96049149 AMIZKFRAJSQSQS-GOSISDBHSA-N 325.416 1.743 0 40 EDAB CN1CCN(C(=O)c2n[nH]c3c2CN(Cc2cccs2)CC3)CC1 96187419 RAGIEXQKJSDMTI-UHFFFAOYSA-N 345.472 1.417 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 96426822 HTCDIUYMLCATML-SECBINFHSA-N 333.314 1.068 0 40 EDAB COCC(=O)N1CCC2(CCC(=O)N2Cc2csc(C)n2)CC1 96228192 HDKVGDIWAGDIIS-UHFFFAOYSA-N 337.445 1.582 0 40 EDAB CN(Cc1cncnc1)[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@@H]21 96040710 JYGLNWXNWYBOQI-BBWFWOEESA-N 340.431 1.382 0 40 EDAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)COc1ccccc1 96098585 UQLXLAIVCKGNGF-UHFFFAOYSA-N 342.399 1.948 0 40 EDAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCSCC3)OCC(=O)N2C)cc1 96181581 ZHKTUFRANGEOQL-HZPDHXFCSA-N 334.441 1.469 0 40 EDAB Cc1cccc(CN2CC[C@@]3(CCN(C(=O)[C@H]4CCOC4)C3)C2=O)c1 96159652 VENCPLGGPHTBKZ-PXNSSMCTSA-N 342.439 1.983 0 40 EDAB O=C(Cc1cccs1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 584339251 WODXQNAZRNIVGL-GFCCVEGCSA-N 327.413 2.046 0 40 EDAB CC(=O)N1Cc2ccnn2[C@@H](CCNS(=O)(=O)c2ccccc2)C1 247922930 HPNNBRRBOOBUGJ-HNNXBMFYSA-N 348.428 1.155 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)CCO1 257278094 OATVXRDJQJHDEV-INIZCTEOSA-N 338.411 1.690 0 40 EDAB CNc1cnc(C[C@H]2CCCN(C(=O)c3ccn(C)n3)CC2)cn1 257264094 LSWYBMLCZPKQFG-ZDUSSCGKSA-N 328.420 1.737 0 40 EDAB CO[C@H]1CCN(S(=O)(=O)c2ccccc2F)C[C@@]12CCCO2 257265311 LYDKABFBSPCCQH-GJZGRUSLSA-N 329.393 1.784 0 40 EDAB Cc1ccnc([C@@H]2CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1 257262112 LKCGIGKEHISWNH-OAHLLOKOSA-N 334.383 1.995 0 40 EDAB COc1ccccc1[C@H]1CN(Cc2cncnc2)CCN1C(C)=O 257339967 ZDYFYJUAJOMISO-QGZVFWFLSA-N 326.400 1.891 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)on1 257305050 SOFCXUDVJDHFIW-OAHLLOKOSA-N 346.387 1.502 0 40 EDAB Cc1ccc2nc(C(=O)N3CCOC[C@H]3c3nc(C)c[nH]3)cn2c1 257333849 YDIZCTJBUFFNQH-AWEZNQCLSA-N 325.372 1.888 0 40 EDAB CCc1cc(C(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)no1 257223801 DYYBSEXILNMMAT-KRWDZBQOSA-N 330.388 1.345 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC[C@H]2c2ccnc(N(C)C)c2)CC1 257201362 AHIUNKWJCITDAS-KRWDZBQOSA-N 346.475 1.658 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccn(C(C)C)n3)CCO2)n1 264876334 HKFAAFBWKHROIN-HNNXBMFYSA-N 331.420 1.819 0 40 EDAB COc1ccc(S(=O)(=O)NCC[C@@H](O)c2ccoc2)c(C)c1 90613112 BRVIZDYOBRKHRJ-CQSZACIVSA-N 325.386 1.999 0 40 EDAB CC1(C)C[C@@H](NC(=O)Nc2ccc3nccn3c2)CCS1(=O)=O 1615002485 GUOPONALMZUGEU-NSHDSACASA-N 336.417 1.812 0 40 EDAB CCNc1ncc(S(=O)(=O)N2CCO[C@H](OC)C2)cc1Cl 1615046102 WWYCOCKTKUXDGU-NSHDSACASA-N 335.813 1.160 0 40 EDAB CC(C)Cn1nccc1C(=O)N1CC2(CCOCC2)CC[C@@H]1CO 1615546845 DZZWZXWZNXEFIB-OAHLLOKOSA-N 335.448 1.933 0 40 EDAB Cn1cc(S(=O)(=O)Nc2cccc([C@H](O)C(F)(F)F)c2)cn1 1615572332 WXJZPWOBSUCHQF-NSHDSACASA-N 335.307 1.817 0 40 EDAB CCOc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCN3CCOC[C@H]13)CCO2 1615549304 MVSDAGYMGHANAB-DJIMGWMZSA-N 346.427 1.746 0 40 EDAB CN(C)CCn1ccc(NC(=O)[C@@H]2NCCOc3ccccc32)n1 1615616256 ZAEUDAIQCGHZFM-MRXNPFEDSA-N 329.404 1.107 0 40 EDAB OC1(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCCC1 585288079 VMDRUNSOMLVCQF-GOSISDBHSA-N 339.407 1.573 0 40 EDAB Cc1ccnc(C(=O)N2Cc3ncn(C)c3C[C@H]2CN2CCCC2)c1 585094621 FTJRWRIAJQWBGD-HNNXBMFYSA-N 339.443 1.786 0 40 EDAB Cc1ccc(OC[C@@H]2CCn3nccc3CN2CC(=O)N(C)C)cn1 585097845 RUWKLVOZGJVDGO-INIZCTEOSA-N 343.431 1.328 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ncccn1 585288282 TUEXRSLGUHSSRH-YVEFUNNKSA-N 332.404 1.155 0 40 EDAB O=[S@](c1ccc(N2CCn3nnc(CO)c3C2)cc1)C(F)(F)F 1548517264 BITOZJCFJAMMAT-HSZRJFAPSA-N 346.334 1.418 0 40 EDAB CN(C(=O)c1ccc(C(=O)O)nc1)c1ccc(N2CCOCC2)nc1 680409115 ZVSQCMWKTQDNIM-UHFFFAOYSA-N 342.355 1.288 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)CS(C)(=O)=O)cc2)n1 69741123 NSAFICXCJFVMRQ-ZDUSSCGKSA-N 349.456 1.711 0 40 EDAB CC[C@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CCO1 30851308 QNPQTNUPPCQWEC-LBPRGKRZSA-N 338.791 1.703 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)C1 53895090 VOBPUCOKRSUWBF-SNVBAGLBSA-N 333.775 1.601 0 40 EDAB CN(C)C(=O)Cn1c(-c2cccc(Br)c2)noc1=O 58197140 BHMNKFUDJCPPMA-UHFFFAOYSA-N 326.150 1.354 0 40 EDAB CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(-n2ccnc2)n1 585084010 TTYSVNQSRCXGHH-ZDUSSCGKSA-N 343.387 1.618 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CCC(N2CCC[C@H]2CO)CC1 96099763 GFMQXFKSNZPWRD-HNNXBMFYSA-N 342.436 1.436 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(Oc2cccc(C)n2)CC1 96119529 POJAWGAYNJSIPP-UHFFFAOYSA-N 330.388 1.816 0 40 EDAB COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H](C)NS(C)(=O)=O)C2)cc1 108350795 YCKDYGAVUOHPSO-SGMGOOAPSA-N 340.445 1.337 0 40 EDAB Cc1[nH]ncc1C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 89544387 PICQPLQYARJCFC-IAGOWNOFSA-N 326.400 1.444 0 40 EDAB Cn1c(CCNC(=O)[C@@H]2CCCO2)nnc1SCc1ccccc1 5001776 AURZNDNOVNAMBQ-AWEZNQCLSA-N 346.456 1.945 0 40 EDAB CCN1CCN(C2=C(Cl)C(=O)N(c3ccc(OC)cc3)C2=O)CC1 19358615 PBLLCMCLYHFGMT-UHFFFAOYSA-N 349.818 1.656 0 40 EDAB O=C(CN1C(=O)CNC1=O)N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19373820 KFPXEJQNGZMIJG-BODMPHMZSA-N 341.411 1.627 0 40 EDAB CN(C)Cc1cc([C@@H]2CCCN2C(=O)c2cccnc2N)nn1C 19710076 JSOADQXCBRURAV-HNNXBMFYSA-N 328.420 1.436 0 40 EDAB Cc1cc(C(=O)N2CCN(c3nc(O)c(F)c(C4CC4)n3)CC2)no1 1888866265 NGCGYIINRZJMFK-UHFFFAOYSA-N 347.350 1.458 0 40 EDAB CC(C)N1C[C@@]2(CCN(C(=O)c3ccn(C(C)C)n3)C2)COCC1=O 2037985319 FNJUIGAZQLSGSC-SFHVURJKSA-N 348.447 1.564 0 40 EDAB CCC(CC)NC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713392 JEGORGCDFAJCAL-CYBMUJFWSA-N 348.447 1.223 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2ccc(F)c(F)c2)C1 2055772849 MVKNQLGNMFACQK-QGZVFWFLSA-N 334.370 1.899 0 40 EDAB CN1C[C@@H]2CN(C(=O)c3ncn(C)n3)CC[C@@]2(c2ccccc2)C1 2055750617 KCQSPYSJDLZPRP-QAPCUYQASA-N 325.416 1.161 0 40 EDAB Cc1cc(OC2CN(C(=O)Cc3noc4ccccc34)C2)cc(=O)o1 206960125 BHIJZLFJKKFGPI-UHFFFAOYSA-N 340.335 1.922 0 40 EDAB CCCS(=O)(=O)NCCNc1cc(-n2nc(C)cc2C)ncn1 35597315 XUEOWPHQUXUEMS-UHFFFAOYSA-N 338.437 1.020 0 40 EDAB O=C(NCC1CCN(C2CCOCC2)CC1)C(=O)Nc1ccccc1 225565090 UAJMYBNBIUKFAE-UHFFFAOYSA-N 345.443 1.632 0 40 EDAB COc1ccc2sc(N3CCC[C@H](NS(C)(=O)=O)C3)nc2c1 2298212751 OQBHCIUZBIKSFO-JTQLQIEISA-N 341.458 1.823 0 40 EDAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(N)=O)c2=O)cc1 4359018 GTSJGEOBLDKXEG-UHFFFAOYSA-N 349.346 1.692 0 40 EDAB O=C([C@@H]1CCCNC1)N1CCC(O)(Cn2ccc3ncccc32)CC1 19346447 UFNMDUVZQXRXTR-OAHLLOKOSA-N 342.443 1.389 0 40 EDAB Cc1cc(CN(C)C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)no1 31115242 NPNGDQYXILFXHZ-OAHLLOKOSA-N 341.371 1.062 0 40 EDAB NC(=O)c1cc(-c2csc(NC(=O)Cn3ccccc3=O)n2)c[nH]1 40490417 VHJOMXJPEVGQJS-UHFFFAOYSA-N 343.368 1.038 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20548222 DNCWQCRISIYZFL-GAMKEXDWSA-N 327.384 1.227 0 40 EDAB CCc1n[nH]c2c1CN(C(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1)CC2 32547761 KPKCHCHHMFWRKJ-SUMWQHHRSA-N 338.411 1.387 0 40 EDAB Cn1ncc2c(NCCS(=O)(=O)Cc3ccccc3)ncnc21 52039367 GTVLXOPKHPOWNP-UHFFFAOYSA-N 331.401 1.390 0 40 EDAB CCSc1nnc(NC(=O)c2ccc(OCC(N)=O)cc2)s1 21281213 XCVPNBWVKCNNOH-UHFFFAOYSA-N 338.414 1.767 0 40 EDAB COCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1 32999411 AEUSKFYGATZFBB-OAHLLOKOSA-N 330.384 1.773 0 40 EDAB Cc1ccc([C@H](CNC(=O)N2CCS(=O)(=O)CC2)N(C)C)cc1 103870275 AGRJHDMRDPEAQH-HNNXBMFYSA-N 339.461 1.038 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCN(Cc3c(C)noc3C)CC2)n1 47091780 AQYGOZRAUKCLLC-UHFFFAOYSA-N 331.420 1.449 0 40 EDAB COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCO2 215583 HWVNZIQSHAIFLS-UHFFFAOYSA-N 335.381 1.945 0 40 EDAB O=C(CN(CCO)Cc1ccccc1)Nc1ccc2c(c1)OCCO2 96969567 NSORWJZEIIXHTC-UHFFFAOYSA-N 342.395 1.891 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1C(=O)O 78789776 NYEIVPGLKAMEJZ-UHFFFAOYSA-N 346.364 1.989 0 40 EDAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NC[C@@H]1CN(C)CCN1C 78925621 MLAMTCXMYAWMHH-ZBFHGGJFSA-N 332.448 1.282 0 40 EDAB O=C1[C@H](N2CCN(C[C@H]3CCCCO3)CC2)CCN1c1ccccc1 79035320 WFTWTVYJHKPOTQ-RTBURBONSA-N 343.471 1.979 0 40 EDAB CCn1cc(CNC(=O)CCn2cc(Br)c(C)n2)cn1 2805160 AMUKOZHUDQFVHP-UHFFFAOYSA-N 340.225 1.877 0 40 EDAB Cc1occc1-c1nnc(SCC(=O)NC[C@H]2CCCO2)n1C 4375613 FXAHGECIXHFEFQ-LLVKDONJSA-N 336.417 1.771 0 40 EDAB CCN(C(C)=O)c1nc(CN2CCN(c3ncccn3)CC2)cs1 23700741 IECZTAWLCBBGLF-UHFFFAOYSA-N 346.460 1.628 0 40 EDAB CC1CCN(C(=O)Cn2c(SCC(N)=O)nc3ccccc32)CC1 4859183 RACDVFDSXPAQHI-UHFFFAOYSA-N 346.456 1.872 0 40 EDAB COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccccc1F 6576929 GXGFXPWIXGOCLF-FHIRATQRSA-N 338.331 1.212 0 40 EDAB CN(C)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 7813511 FVSAABZAANCTGX-INIZCTEOSA-N 331.416 1.216 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)N1CC[C@H]2CCCC[C@H]21 109402458 NUYNMSJDNPRRPE-HUUCEWRRSA-N 343.493 1.680 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106578514 HNJCGJALRXQAGL-QBYUYEEZSA-N 333.476 1.753 0 40 EDAB C[C@@H]1Oc2ccc(N[C@H](C)C(=O)NCC(F)(F)F)cc2NC1=O 12516303 GVRNMKXJFVAXFH-SFYZADRCSA-N 331.294 1.885 0 40 EDAB O=C(C1CCN(Cc2nc(-c3ccco3)no2)CC1)N1CCOCC1 44071500 WOADDMVFBFQTMJ-UHFFFAOYSA-N 346.387 1.400 0 40 EDAB O=C(NCc1cn(-c2ccccc2)nn1)N[C@@H]1CCCC[C@@H]1CO 95410362 WXVGCDXUDSWNFN-CZUORRHYSA-N 329.404 1.618 0 40 EDAB COC(=O)[C@H](NC(=O)Cc1ccn(C)n1)c1ccc(Cl)c(F)c1 97082694 PZQVVDSKCCMMSV-CQSZACIVSA-N 339.754 1.786 0 40 EDAB CN(C)CCCN1CC2=C(C1=O)[C@@H](c1cccc(F)c1)NC(=O)N2C 57531501 ZLNBLQIIHQGYPS-MRXNPFEDSA-N 346.406 1.570 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)NC1CCC(C)CC1 44639538 BAZMANRCHOMASC-UHFFFAOYSA-N 328.434 1.901 0 40 EDAB Cn1ncc2cnn(C[C@H](O)COCc3ccccc3Cl)c2c1=O 95438884 MRTSARPWTWSRKC-ZDUSSCGKSA-N 348.790 1.361 0 40 EDAB CN(C)[C@@H](CNC(=O)CN1CSCC1=O)c1ccccc1Cl 27346364 KEJQEAHMBACEDU-ZDUSSCGKSA-N 341.864 1.592 0 40 EDAB COc1ncccc1C(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 105616216 PPSJIFDAJPHSIH-JYJNAYRXSA-N 332.400 1.889 0 40 EDAB O=C([C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1)N1CCCC1 58192209 BLVGOCNJZAAWNO-OAHLLOKOSA-N 340.420 1.991 0 40 EDAB Cc1cccc(OC[C@H](O)CN2C(=O)C[C@]3(CCSC3)C2=O)c1 58231095 ZKQZPMQDZCFCEI-DYVFJYSZSA-N 335.425 1.617 0 40 EDAB c1nc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)c2nc[nH]c2n1 44915572 AYTBAROMYCOQRW-UHFFFAOYSA-N 336.399 1.610 0 40 EDAB CN[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 53203145 WCOBVWOSCMWKRP-MRVPVSSYSA-N 339.280 1.883 0 40 EDAB O=C(CCNC(=O)CSc1ccccc1)NCc1cccnc1 58332660 HHRSTKHKAPSVTB-UHFFFAOYSA-N 329.425 1.996 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NCCc2ccc3c(c2)OCO3)C1 27960108 LJUXMLZMMFODFU-GFCCVEGCSA-N 326.418 1.524 0 40 EDAB Cc1nn(C)c(N(C)C)c1CN[C@@H](C)c1nnc2n1CCCCC2 58405203 FHBCANJFVFFYHV-ZDUSSCGKSA-N 331.468 1.963 0 40 EDAB COc1cccc(C(=O)NCCNC(=O)NCc2ccccn2)c1 72261283 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348.443 1.145 0 40 EDAB CC(=O)NCCNC(=O)c1csc(COc2ccc(C)cc2)n1 22758992 ULGQVPSZISVBED-UHFFFAOYSA-N 333.413 1.896 0 40 EDAB Cc1ccc(OCCNC(=O)CCC(=O)N2CCOCC2)c(C)c1 9114485 OJYZTQHVYWLKIV-UHFFFAOYSA-N 334.416 1.437 0 40 EDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2nsnc12 13690667 ROTLZECAIPXYSZ-JTQLQIEISA-N 333.417 1.230 0 40 EDAB C[C@@H]1CN(c2ccc(F)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 13815812 SDDWEGXDQZKNLR-SNVBAGLBSA-N 343.362 1.361 0 40 EDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(C)c1 4505460 NEZSDYOWWNSHED-LBPRGKRZSA-N 347.458 1.201 0 40 EDAB Cc1noc([C@H]2CCCN(Cc3nc4ccccc4[nH]c3=O)C2)n1 97201030 KAPXWXJNLNILDQ-LBPRGKRZSA-N 325.372 1.994 0 40 EDAB COc1ccc(Cl)cc1N1C(=S)N[C@H]2CS(=O)(=O)C[C@@H]21 6673267 YNGCEUOHUHDCOX-WPRPVWTQSA-N 332.834 1.209 0 40 EDAB CCN1CCC[C@H]1CNc1ccc(S(=O)(=O)N2CCCC2)cn1 6787837 QNUCOXLFTGZHIW-AWEZNQCLSA-N 338.477 1.762 0 40 EDAB CC(=O)CN1C(=O)C2(OCCO2)c2cc(Br)ccc21 4843859 XYVJCJXJZPAUJN-UHFFFAOYSA-N 326.146 1.584 0 40 EDAB O=C(CNc1ccc(-n2cccn2)c(Cl)c1)NC(=O)NC1CC1 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COC[C@@H](C)N1C[C@H](C(=O)Nc2nc3c(s2)CCCC3)CC1=O 8235297 ZBPQXPYKINDJNC-GHMZBOCLSA-N 337.445 1.844 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)C[C@@H]1C 70020631 VZHAYXDHFDAWGT-GJZGRUSLSA-N 337.468 1.444 0 40 EDAB CC(C)C[C@]1(C)NC(=O)N(CCc2nc3ccccc3c(=O)[nH]2)C1=O 71824528 DEIMNXDWLASKLF-SFHVURJKSA-N 342.399 1.822 0 40 EDAB NS(=O)(=O)CCCNC(=O)/C=C(/c1ccccc1)C(F)(F)F 71847397 WYCOLUCBRVFAMJ-LUAWRHEFSA-N 336.335 1.427 0 40 EDAB O=C(Cc1ccccc1)N1CCN(Cc2nnc(C3CC3)o2)CC1 71824735 ODIIPYRBGUHDIC-UHFFFAOYSA-N 326.400 1.834 0 40 EDAB O=C(CN1C(=O)CNC1=O)N1CCC(=Cc2cccc(F)c2)CC1 71823471 WGXKTLVFFHAGKD-UHFFFAOYSA-N 331.347 1.383 0 40 EDAB CC(C)[C@@H](CC(=O)N1CCN(S(N)(=O)=O)CC1)c1ccccc1 71896137 LOVXSUHWYLWQQM-OAHLLOKOSA-N 339.461 1.164 0 40 EDAB O=C(CCSc1ccccc1F)N1CCCS(=O)(=O)CC1 71896572 KLUAKLGVTNOWHO-UHFFFAOYSA-N 331.434 1.955 0 40 EDAB COC(=O)[C@H](NCC(=O)Nc1cc(C)on1)c1cc(F)ccc1F 69582333 RJUONDXIUCOGMJ-CQSZACIVSA-N 339.298 1.704 0 40 EDAB COCCCNC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1CCCN1C(C)=O 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CCc1nn(C)c(CC)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)O 95442387 QBSIZWIPLFEVJN-BXUZGUMPSA-N 329.466 1.469 0 40 EDAB Cc1nc2cc(C(=O)N3C[C@H](C)[C@H](N4CCOCC4)C3)ccc2[nH]1 95467428 FTLAOGYGKTWBEH-YVEFUNNKSA-N 328.416 1.664 0 40 EDAB CC(C)Cc1n[nH]c(NC(=O)Cn2nc3c(cc2=O)CCCC3)n1 95473272 MXDWYQIJFPDVTP-UHFFFAOYSA-N 330.392 1.077 0 40 EDAB C[C@@H]1c2cccn2CCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 73544905 SUZDJERTFCREAG-GHMZBOCLSA-N 329.322 1.802 0 40 EDAB O=S(=O)(NC[C@@H](O)c1ccccc1Cl)c1cncc(F)c1 95972889 BRDKONNVWWQIAD-CYBMUJFWSA-N 330.768 1.886 0 40 EDAB CCSCCN1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 95961302 HZGKHJBZPOPGRZ-UHFFFAOYSA-N 347.506 1.741 0 40 EDAB Cc1cc(C)c(CNC(=O)NCc2nnc3n2CCCCC3)c(=O)[nH]1 75117663 KWBKKAIWYPAXNI-UHFFFAOYSA-N 344.419 1.309 0 40 EDAB Cc1ccc(/C=C/C(=O)N[C@H]2CCC(=O)N[C@@H]2c2cnn(C)c2)cc1 75105588 OQFGXEVBZGATCK-NWLOJRJCSA-N 338.411 1.878 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2CCC(N3CCN(C)C3=O)CC2)cc1 75131506 CFNVFVPUHSXFMO-KRWDZBQOSA-N 347.459 1.567 0 40 EDAB Cc1ccc(C(=O)O[C@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)cn1 89652198 OVIBGVKYLCWYOJ-GJZGRUSLSA-N 347.415 1.295 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)c1nnn(-c2ccccc2)c1C1CC1 89938312 LQKXRIFLAINCJH-CYBMUJFWSA-N 325.416 1.921 0 40 EDAB CCc1ccc(Nc2n[nH]nc2C(=O)N2CCCN(C)CC2)cc1 67284253 LTMLFXLSEIKZEB-UHFFFAOYSA-N 328.420 1.888 0 40 EDAB CC[C@H](C)[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C#N)cc1F 547596548 BDWWSFVNGOFIOJ-TVQRCGJNSA-N 328.365 1.817 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@H]1CN(C)C[C@@H]1c1ccccc1 1553183872 RNLZSKVRIKZEMU-JKSUJKDBSA-N 342.447 1.443 0 40 EDAB O=S(=O)(CCO)c1ccc(CNC2Cc3ccccc3C2)cc1 189165356 ZNKTZKNHRGTMNE-UHFFFAOYSA-N 331.437 1.710 0 40 EDAB Cc1ccn(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)n1 71195658 IXEPKCSTYSPYCC-HNNXBMFYSA-N 336.399 1.966 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ncn2)[C@@H](C(=O)O)C1 72203635 LRBULWJVBGVUIL-SECBINFHSA-N 342.783 1.640 0 40 EDAB COCCN1CC[C@H](C2CCN(C(=O)C3CCN(C)CC3)CC2)C1 1039154841 HOUGTRZGZZBYJO-SFHVURJKSA-N 337.508 1.535 0 40 EDAB Nc1nccc([C@@H]2CCCN(C(=O)[C@@H](N)Cc3ccc(F)cc3)C2)n1 72355913 IRERDQVPLDZDCY-HIFRSBDPSA-N 343.406 1.474 0 40 EDAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1c[nH]c(C(=O)O)c1 79338303 ABFMNXWNDGHDQY-UHFFFAOYSA-N 338.341 1.325 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)NC[C@H](Cc1ccccc1)C(=O)O 561433806 JVMUEJWWNOOEDP-ZFWWWQNUSA-N 340.445 1.639 0 40 EDAB NC(=O)CN1CCC[C@@H](Cc2cc(Nc3ccccn3)ncn2)C1 72383603 GGDCRNLSUXRDBA-ZDUSSCGKSA-N 326.404 1.355 0 40 EDAB C[C@@H]([C@@H](C)N(C)Cc1nc(Cc2ccccc2)no1)S(C)(=O)=O 79097440 YURRAAXUXJEILL-OLZOCXBDSA-N 337.445 1.914 0 40 EDAB NC(=O)CN1CCC[C@H](Cc2ccnc(Nc3ccccn3)c2)C1 72363507 SSOKMJWGNGOGIW-OAHLLOKOSA-N 325.416 1.960 0 40 EDAB CS(=O)(=O)N1CC[C@H](CN[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 130277018 LUTWSSRGCYHUNZ-GRYCIOLGSA-N 328.400 1.979 0 40 EDAB CC(C)Oc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1 42646776 YVZZCXLINJCMOK-UHFFFAOYSA-N 349.431 1.251 0 40 EDAB O=C1[C@@H](N2CC[C@H](O)C2)CCN1c1cccc(Br)c1 192072899 XAFLLVGZDXJGTC-STQMWFEESA-N 325.206 1.621 0 40 EDAB Cc1cc(S(=O)(=O)NCC2(O)Cc3ccccc3C2)ccc1F 225716227 FWILVGLMFBFKMC-UHFFFAOYSA-N 335.400 1.942 0 40 EDAB Cc1cc(=O)c2sccc2n1Cc1nnnn1CC1CCOCC1 330115991 UREKMKDTKRVWQP-UHFFFAOYSA-N 345.428 1.833 0 40 EDAB Cc1noc(C)c1CC(=O)NCCNc1nccc(C(F)(F)F)n1 96414544 IQYCHSSIPPKACJ-UHFFFAOYSA-N 343.309 1.871 0 40 EDAB Cn1cccc1C(=O)N1CCc2c(nnn2C)[C@H]1COCC1CC1 96100108 KDZQYYDSFSMQOQ-OAHLLOKOSA-N 329.404 1.320 0 40 EDAB O=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)[C@H]3CCOC3)CC2)N1 96199971 OOTMDPFBEVSZTK-GJZGRUSLSA-N 329.400 1.083 0 40 EDAB C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H]1C(N)=O 96426395 NVMIUMBSOITEQS-JOYOIKCWSA-N 341.205 1.693 0 40 EDAB O=C(c1cnccn1)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 96039856 GAUKAGUWEAJTFI-SJLPKXTDSA-N 331.416 1.915 0 40 EDAB CN(C)c1nc(N)nc(CNC2(c3ccc(F)cc3F)CCC2)n1 579684484 JFACGOHLUSPAPD-UHFFFAOYSA-N 334.374 1.967 0 40 EDAB C[C@](O)(CNC(=O)c1cccnc1-n1cccn1)c1ccsc1 96450364 SGGHEAKLBGQMDH-INIZCTEOSA-N 328.397 1.966 0 40 EDAB COCCN1CCC2(CC1)OCC(=O)N(Cc1cccc(C)n1)[C@H]2C 96201617 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PQCYYDJPAWHYJB-ZDUSSCGKSA-N 332.335 1.177 0 40 EDAB COCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257269648 MQUCFZAFICAVKE-FAYLSGKYSA-N 343.427 1.737 0 40 EDAB CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](C(N)=O)C1 69742019 RFZAUZGEPFXQSE-NWDGAFQWSA-N 341.477 1.048 0 40 EDAB COc1ccnc(N2CCN(C[C@H](O)c3ccccc3)[C@H](C)C2)n1 69738055 LPVIHGXWMSNBFA-ZBFHGGJFSA-N 328.416 1.729 0 40 EDAB CN1CCC(Cc2cccc(F)c2)(C(=O)N2CCNC(=O)C2)CC1 257337931 YVBJUUQWHFHKAJ-UHFFFAOYSA-N 333.407 1.039 0 40 EDAB Cc1ccc(C)c(OCCC(=O)N2CCCN(CC(N)=O)CC2)c1 69774172 GKSDZRQZRDWTGU-UHFFFAOYSA-N 333.432 1.092 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@](C)(c2ccccn2)C1=O 69742138 QXGFRIJULNBGFI-FHSNZYRGSA-N 344.415 1.544 0 40 EDAB CC1(CO)COC(c2ccc(C3OCC(C)(CO)CO3)cc2)OC1 255188843 LYZKMXMFAQMGIJ-UHFFFAOYSA-N 338.400 1.775 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(C(=O)CCn3ccccc3=O)CCO2)n1 257292236 QKPMXXOFRSBRTM-INIZCTEOSA-N 342.399 1.124 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1CCOC[C@H](Cc2ccncn2)C1 257235619 GYQLNNKQXMGNNC-OAHLLOKOSA-N 343.431 1.169 0 40 EDAB CNCCOc1cccc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)c1 257306605 SUZULYMPJXMCFP-QGZVFWFLSA-N 348.443 1.431 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cccnc2)C[C@@H]1c1ccccc1 257327299 XAWGMSILYVBABO-QGZVFWFLSA-N 345.424 1.676 0 40 EDAB O=C(Nc1ccc2nc[nH]c2c1)[C@H](Cc1ccccc1)n1cnnn1 604419012 IZQWPZYARDYGRB-INIZCTEOSA-N 333.355 1.972 0 40 EDAB C[C@H](O)CNC(=O)N[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 1615055731 POYLGTRILIAPGP-SWLSCSKDSA-N 345.365 1.873 0 40 EDAB CC(C)[C@H](NCCOCCO)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1615000697 CAWOXEUUBHSWNF-GJZGRUSLSA-N 330.469 1.867 0 40 EDAB O=C1COC2(CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)N1 1615592074 QVOXBVHEPFHRPO-UHFFFAOYSA-N 342.317 1.713 0 40 EDAB COc1cc(F)cc(F)c1S(=O)(=O)N1C[C@@H]2CCC[C@]2(N)C1 1615622002 YMVPPEQKQPCOKS-XPTSAGLGSA-N 332.372 1.475 0 40 EDAB CC1(C(=O)N2CCCN(Cc3ccccc3)CCOCC2)COC1 1616032186 JCWZCGPKXBWLKP-UHFFFAOYSA-N 332.444 1.774 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccccc1)[C@H](C)C2 585097720 NFPDWPHSOKCCJZ-CYBMUJFWSA-N 330.388 1.277 0 40 EDAB COc1cncc(N2CCN(C(=O)[C@H](C)OC[C@@H]3CCCO3)CC2)c1 585140832 LGLDGCIMGKAJKX-HOCLYGCPSA-N 349.431 1.323 0 40 EDAB O=C(NC[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21)c1cscn1 585095134 CHIPWXSOZTYOFT-ZDUSSCGKSA-N 345.428 1.453 0 40 EDAB O=C(CC1(O)CCCCC1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585278714 RHHRFGVGKSIATA-FQEVSTJZSA-N 347.455 1.904 0 40 EDAB Cn1cc(/C=C/C(=O)N2CC[C@H](O)[C@H](Cc3ccccc3)C2)cn1 585290278 QBFLHKUGUKWLPP-YQJUVHNHSA-N 325.412 1.885 0 40 EDAB Cc1ncn(CC(=O)NCc2ccnc(-c3ccncc3)c2)c(=O)c1C 585351013 RMRJROJOHMTONH-UHFFFAOYSA-N 349.394 1.634 0 40 EDAB C[C@@H](C(=O)N1CCCCCC1)[S@@](=O)Cc1cccc(C(N)=O)c1 64827137 HSVRKYNLEZULIM-ZAMGYDSWSA-N 336.457 1.825 0 40 EDAB CC(=O)N1CCC(N2CCO[C@](CO)(Cc3ccccc3)C2)CC1 585269208 LOSNEDKYBLBLBK-LJQANCHMSA-N 332.444 1.303 0 40 EDAB CCSc1cc(C(=O)NC2CCN(c3nnnn3C)CC2)ccn1 65490374 RSOZHGRQDSGVHT-UHFFFAOYSA-N 347.448 1.116 0 40 EDAB CCOc1c(Cl)cccc1NCC(=O)NCC(=O)N1CCCC1 58218701 KTDRPTMNLGCOPC-UHFFFAOYSA-N 339.823 1.889 0 40 EDAB NC(=O)Cn1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cn1 58311799 KBWCLFNMMRGSPS-UHFFFAOYSA-N 330.363 1.958 0 40 EDAB Cc1nc(-c2ccccn2)sc1C(=O)NCCNC(=O)C1CC1 61440820 OWGGRXQQMVSRHO-UHFFFAOYSA-N 330.413 1.770 0 40 EDAB CCn1c(=O)n(CC(=O)Nc2c(C)nn(C)c2C)c2cccnc21 12222294 KKORMARFJFMEDF-UHFFFAOYSA-N 328.376 1.207 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nc2c(=O)[nH]c(N)nc2[nH]1 12562619 MJPORAGRHDSKLC-JGVFFNPUSA-N 336.421 1.015 0 40 EDAB Cc1cc(O)ccc1NC(=O)Cc1csc(NS(C)(=O)=O)n1 13734848 DEBAYHAOLGOWIB-UHFFFAOYSA-N 341.414 1.710 0 40 EDAB O=C(C[C@@H]1CSc2nccc(=O)n21)Nc1ccc2c(c1)OCCO2 14031267 IJLDXMKASPFXSD-LLVKDONJSA-N 345.380 1.690 0 40 EDAB O=C(O[C@@H]1CCOC1=O)C1CCN(c2nc3ccccc3o2)CC1 14147252 FMADXZHFSPHCFV-CQSZACIVSA-N 330.340 1.903 0 40 EDAB Cc1cc(NC(=O)COc2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 17011573 MOXOKZUPUYYATH-CYBMUJFWSA-N 349.412 1.569 0 40 EDAB Cc1noc(C)c1CC(=O)N[C@H](C)c1cc(=O)[nH]c(N2CCCC2)n1 19580438 CNPDIBAVPSCYMB-LLVKDONJSA-N 345.403 1.395 0 40 EDAB CCc1nnc2n1C[C@H](c1ccc(NC(=O)CNC(C)=O)cc1)CC2 19699129 ZIDFHCOVKBJVIO-CQSZACIVSA-N 341.415 1.645 0 40 EDAB O=C(CC1(O)CCCCC1)Nc1cnn(CC(=O)N2CCCC2)c1 19746174 HYGQQZNIECHYSD-UHFFFAOYSA-N 334.420 1.529 0 40 EDAB CO[C@@H]1COC[C@@H](CNCc2ccc(-n3ccnc3C)cc2)[C@@H]1O 643585390 FTYYUTYKKXHMLA-NXHRZFHOSA-N 331.416 1.293 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H](n2cc(C3CC3)nn2)C1 240178547 YZRRFCWREGAXQV-AWEZNQCLSA-N 340.383 1.900 0 40 EDAB CN(C)c1nc(CNC(=O)c2cccs2)nc(N2CCCCC2)n1 575605770 MSVUSQDFWCCRFK-UHFFFAOYSA-N 346.460 1.919 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)nn1 584218346 NCJLQUGZHQRIAF-ROUUACIJSA-N 340.427 1.929 0 40 EDAB Cc1noc(CN2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1 1888843548 SDWILCAZBUNEAR-UHFFFAOYSA-N 328.420 1.984 0 40 EDAB O=C1[C@H]2CN(c3ncc(F)cn3)C[C@@H]2C(=O)N1Cc1ccccc1 1888849732 YUOUIZOKADJVQV-KBPBESRZSA-N 326.331 1.237 0 40 EDAB CCn1cc(Br)c(C(=O)N2CCN3CCC[C@H]3C2)n1 2775172 UMYSYTVSDANJMR-JTQLQIEISA-N 327.226 1.586 0 40 EDAB COC(=O)CNC(=O)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 238938089 VSVKZTUJCSMCRT-LBPRGKRZSA-N 330.344 1.409 0 40 EDAB CCCN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@@H]1COC[C@@H](O)[C@H]1O 2037961647 SLMAXZHGXHUTTP-OAGGEKHMSA-N 345.399 1.050 0 40 EDAB COc1ccc2nnc(CNC(=O)COc3ccccc3C)n2n1 253407433 WJSNVDIDKMKBIR-UHFFFAOYSA-N 327.344 1.137 0 40 EDAB Cc1cc([C@@H](O)CNS(=O)(=O)c2cn(C)c(C(C)C)n2)c(C)o1 1565520159 HIBGPKVLNLTGIW-ZDUSSCGKSA-N 341.433 1.765 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCCN([C@@H]2CCOC2)CC1 1565522783 PYYXBSXQQRYFGP-CQSZACIVSA-N 340.445 1.181 0 40 EDAB O=C(CCc1cncnc1)N1CC2(CCN2C(=O)c2ccco2)C1 1565549566 ZTJJTUXWTPOSIW-UHFFFAOYSA-N 326.356 1.129 0 40 EDAB CC(C)N1Cc2cncn2[C@@]2(CCCN(C(=O)C3CC(O)C3)C2)C1 1565547811 NZHQUIKDNKPVBJ-JFUPDXTOSA-N 332.448 1.196 0 40 EDAB CN([C@@H]1CCCN(c2nc3ccccc3n2C)C1)S(=O)(=O)C1CC1 2086889552 RXFKHINQKPZTNK-CYBMUJFWSA-N 348.472 1.966 0 40 EDAB COC(=O)c1ccc2c(O)nc3c(C(N)=O)sc(=S)n3c2c1 33251393 SDMDWTMVLAYTQE-UHFFFAOYSA-N 335.366 1.870 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)Nc3ncccc3O)CC2=O)c1 40058742 DVFWLPRFISLLDY-NSHDSACASA-N 327.340 1.787 0 40 EDAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)[nH]1 40488080 KVLGWXZOUBLQHZ-UHFFFAOYSA-N 339.351 1.805 0 40 EDAB O=C1CCCN1c1nc(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cs1 40553905 JMNZMKXEZPOBIA-UONOGXRCSA-N 349.456 1.982 0 40 EDAB O=C(CCCc1nnc(-c2ccccc2)o1)N[C@@H]1CCS(=O)(=O)C1 40523563 XKOVPQVGJGJKFE-CYBMUJFWSA-N 349.412 1.363 0 40 EDAB CC1CCN(c2ccc(CNS(=O)(=O)c3cnn(C)c3)cn2)CC1 40539679 IPGSLRFBECFJJB-UHFFFAOYSA-N 349.460 1.530 0 40 EDAB COc1ncccc1CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 40508827 DEHCOPCXAMTLIF-SNVBAGLBSA-N 331.294 1.117 0 40 EDAB COC(=O)CCCN(C)C(=O)Cn1cnc2c(C)cccc2c1=O 32278381 WBQIBCVNYGGLEI-UHFFFAOYSA-N 331.372 1.117 0 40 EDAB Cc1csc(=O)n1CC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 21058205 ABBJQHJBVUSIJR-CHWSQXEVSA-N 341.477 1.222 0 40 EDAB O=S(=O)(NC[C@@H]1CCCO1)c1ccc(CNc2ncccn2)cc1 52386129 PSNOJDIYNXQFHN-AWEZNQCLSA-N 348.428 1.546 0 40 EDAB NC(=O)C1(CNC(=O)c2cc(-c3ccccc3)[nH]n2)CCOCC1 52743603 NRQWCTIQTQFQJM-UHFFFAOYSA-N 328.372 1.089 0 40 EDAB CN1N=C(C(=O)NCCc2ccc(-n3cccn3)cc2)CCC1=O 22200570 DSOKQWLIQVYVPL-UHFFFAOYSA-N 325.372 1.139 0 40 EDAB Cc1noc(C2CCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)n1 53448532 NALDMPXUMOEEMQ-UHFFFAOYSA-N 347.400 1.060 0 40 EDAB O=C(CCc1nc(-c2ccccc2)no1)NCCCN1CCOCC1 22688245 PPFHWRMRNCABGZ-UHFFFAOYSA-N 344.415 1.508 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1nc2c(s1)CCC2 61717644 KZRZPDQGRBGTSU-UHFFFAOYSA-N 330.413 1.706 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 78890039 BDAMCJPXQDMSEJ-ZDUSSCGKSA-N 332.408 1.334 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CCOc2ccc(F)cc21 79071578 LKOGXFJQBCERHE-UHFFFAOYSA-N 325.303 1.841 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 7667891 JQHDUFRXDVYXGI-UHFFFAOYSA-N 330.406 1.359 0 40 EDAB Cn1cc(C(=O)NCc2cccc(S(N)(=O)=O)c2)c2ccccc21 24580080 DKGMXVANSNQSOE-UHFFFAOYSA-N 343.408 1.756 0 40 EDAB CS(=O)(=O)N1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 24785621 OZZYETZIHUOEPA-UHFFFAOYSA-N 339.392 1.558 0 40 EDAB CCCc1cc(C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cs1 102209076 GOQSIEOMOYVZKK-ZDEQEGDKSA-N 334.397 1.508 0 40 EDAB CNC(=O)Cn1cc(NS(=O)(=O)c2ccc(Cl)cc2)cn1 55641208 RCLHKOBDJGBAPJ-UHFFFAOYSA-N 328.781 1.083 0 40 EDAB Cc1csc(N2CCN(CC(=O)Nc3c(C)n[nH]c3C)C[C@H]2C)n1 106844330 DZBKOJCBEPGZMI-LLVKDONJSA-N 348.476 1.941 0 40 EDAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCCC(=O)N1CCCC1 25254142 ZCJQDFMYQPACSN-OAHLLOKOSA-N 343.427 1.706 0 40 EDAB Cc1nn(CCCNc2nc(=O)c(C)n[nH]2)c(C)c1Br 57355739 XAVCZBDAZXCJFL-UHFFFAOYSA-N 341.213 1.551 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)NCc1ccc(-n2cccn2)cc1 56871658 SYQJQFXNMZMHIE-AWEZNQCLSA-N 343.431 1.976 0 40 EDAB O=C([C@H]1CN(Cc2ccccc2)CCO1)N1C[C@@H]2CCC[C@H](C1)C2O 107501178 XFDJIESKJXWFSY-MHYDHLEJSA-N 344.455 1.507 0 40 EDAB COc1ccccc1CCNC(=O)N1CCN(c2cnccn2)CC1 26146070 QHDPONDPWDLMKR-UHFFFAOYSA-N 341.415 1.560 0 40 EDAB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ccccc2O)CC1 57355237 IPZRYIMPHCAOHZ-ZDUSSCGKSA-N 348.447 1.527 0 40 EDAB O=C(NC[C@@H]1CCCO1)Nc1cccc(N2CCCS2(=O)=O)c1 57525658 OFVZVUBHTQBDRG-AWEZNQCLSA-N 339.417 1.527 0 40 EDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CN1CCN(Cc2ccccc2)CC1 102838454 QYRSJEJRHHANEV-HDICACEKSA-N 341.455 1.937 0 40 EDAB Cc1cc(C(=O)NCCN2CCN(C)C[C@@H]2c2ccccc2)n[nH]1 48277075 IXNORGKDJVRMBH-QGZVFWFLSA-N 327.432 1.437 0 40 EDAB O[C@@H](CNc1cc(-c2ccccc2)nc2ncnn12)COCC1CC1 95393398 AGLWWQZKVUIBKP-HNNXBMFYSA-N 339.399 1.991 0 40 EDAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(c2nccs2)CC1 57927064 MLTTUTCUMUZPHR-LBPRGKRZSA-N 335.433 1.979 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)NC[C@@H](C)N1CCOCC1 48232069 SLNUMWWAMRAOCY-CQSZACIVSA-N 336.436 1.389 0 40 EDAB Cc1nc(C)c(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)s1 44688492 VUEBBGSSOKACOT-UHFFFAOYSA-N 325.415 1.801 0 40 EDAB C[C@H](NC(=O)CC[C@H]1NC(=O)NC1=O)c1ccc2c(c1)CCCC2 48278237 ZDOWDZZVNIGEDU-XHDPSFHLSA-N 329.400 1.731 0 40 EDAB CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 27465026 GZNMAFOEEWMGBG-LBPRGKRZSA-N 330.475 1.983 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O)C1CC1 58180704 NXXFOGXWUQGLRD-BMLIUANNSA-N 333.363 1.507 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 44893950 OOBDJLFBMBUVAQ-VHSXEESVSA-N 328.356 1.211 0 40 EDAB Cn1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)c(Cl)c2)n1 58244482 DBGCPLOZFXLBEN-UHFFFAOYSA-N 345.764 1.338 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 58292478 KYQYJTJGSDSWPE-KMFMINBZSA-N 346.427 1.970 0 40 EDAB CCn1c(SCC(=O)NCCCC(=O)OC)nnc1C1CC1 27787544 ALHCDCQKTIORTG-UHFFFAOYSA-N 326.422 1.337 0 40 EDAB CCc1c(C(=O)N[C@H](C)CN2CCOCC2)cnn1-c1ccccn1 44943428 QCDVOUSTAJEROC-CQSZACIVSA-N 343.431 1.280 0 40 EDAB COc1ccccc1N1CCN(C(=O)N[C@H](C)Cn2cccn2)CC1 44969538 UBVJPZQEUIHTFX-OAHLLOKOSA-N 343.431 1.812 0 40 EDAB O=C(NCc1ccc(-n2cccn2)cc1)NC[C@H]1CCS(=O)(=O)C1 44968215 WGDQMUHWCRUFNY-CQSZACIVSA-N 348.428 1.106 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 44973590 NFSSXEAUYOOMDO-TZMCWYRMSA-N 344.367 1.696 0 40 EDAB C[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCOCC1 58357169 UQTIGGLKRTUDAX-LLVKDONJSA-N 344.333 1.611 0 40 EDAB CCOCCO[C@@H](C)C(=O)NCc1ccccc1N1CCOCC1 58323478 VKYDOFGVKCTUGA-HNNXBMFYSA-N 336.432 1.581 0 40 EDAB C[C@H](N[C@@H]1CCS(=O)(=O)C1)c1nc(N)nc(Nc2ccccc2)n1 58305197 QIDKNMOZHGQSRQ-CMPLNLGQSA-N 348.432 1.035 0 40 EDAB Cc1cc2n(n1)C[C@H](CN[C@@H](Cc1ccccc1)CN(C)C)CN2 58428875 XKKFBGBQQILOJM-MSOLQXFVSA-N 327.476 1.996 0 40 EDAB Cc1ccc(C(=O)N[C@]2(C(F)(F)F)N=C3SCCN3C2=O)cc1 2284499 DYSVXMXYUXTYOV-ZDUSSCGKSA-N 343.330 1.928 0 40 EDAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)NC3=NC(=C(C)C)NN32)cc1 10152929 JARZZJUBYCIFJT-ZDUSSCGKSA-N 341.371 1.144 0 40 EDAB C[C@]1(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)CCS(=O)(=O)C1 12808362 UEGJDMZRTATOKJ-OZSKJFCKSA-N 345.424 1.579 0 40 EDAB CCN1N=C(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)CCC1=O 84779847 OGAVMCTWKJKGKH-GFCCVEGCSA-N 331.376 1.609 0 40 EDAB CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)NCCOc1cccc(F)c1 84789081 BCQRUXMQVRHHMX-SJORKVTESA-N 349.450 1.879 0 40 EDAB 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0 40 EDAB CN(C)CCCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 71797895 AOVNOMLVBWGCPV-UHFFFAOYSA-N 347.868 1.076 0 40 EDAB COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ncnc3nc[nH]c23)c1 9513395 YTQQVQLCRPZAKB-VIFPVBQESA-N 341.327 1.546 0 40 EDAB O=C(CN1CCc2cncnc2C1)Nc1ccnn1Cc1ccccc1 69463544 AKMUZXSBJRCEFJ-UHFFFAOYSA-N 348.410 1.718 0 40 EDAB c1cncc(-c2noc(CNC[C@H]3CCCN3c3cccnn3)n2)c1 71877475 OBUGDQKUUPADAY-CQSZACIVSA-N 337.387 1.680 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H]1CCc2c(O)cccc21 71898036 USFQRIIXXWPXAL-INIZCTEOSA-N 335.367 1.714 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H](N2CCNC2=O)C1 71841739 SJUFECIHQCGJBH-CYBMUJFWSA-N 341.415 1.512 0 40 EDAB CN(C(=O)CCn1cc(S(N)(=O)=O)cn1)[C@@H]1CCc2ccccc21 69533024 DYHFAWIPSPYAGN-OAHLLOKOSA-N 348.428 1.067 0 40 EDAB C[C@@H](c1ccccc1F)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 69592017 YZOSBFQAQDBNIM-ZDUSSCGKSA-N 347.390 1.180 0 40 EDAB COc1ccccc1/C(C)=C/C(=O)NCC1(C(N)=O)CCOCC1 69537912 WOMFECUBFCXMOD-ACCUITESSA-N 332.400 1.497 0 40 EDAB c1nc(Sc2nnc(N3CCOCC3)n2C2CC2)c2cc[nH]c2n1 69528560 NKBLLCIBBASNNA-UHFFFAOYSA-N 343.416 1.872 0 40 EDAB COC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-n3cnnc3)c2)C1 69564253 UKDKPXCUOXZDDT-GFCCVEGCSA-N 329.360 1.684 0 40 EDAB O=C(CCc1nccs1)NS(=O)(=O)N1CCc2ccccc21 69623075 ZHTBDZMJQQSLJQ-UHFFFAOYSA-N 337.426 1.499 0 40 EDAB CNC(=O)C1CCC(NC(=O)NCCN(C)Cc2ccccc2)CC1 69628856 OMOSFQCYOLKOOZ-UHFFFAOYSA-N 346.475 1.722 0 40 EDAB CCOCCOC(=O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 69600478 HZUDODCOVBZPIV-OAHLLOKOSA-N 341.429 1.038 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)ccc1=O 71870370 HDVRPSQQTFXJCC-CVEARBPZSA-N 332.448 1.742 0 40 EDAB CC1(C)CN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CCO1 69808351 ROHQNUIDWLJRHN-CYBMUJFWSA-N 326.462 1.716 0 40 EDAB O[C@@H](CN1CCN(c2ccc3nncn3n2)CC1)c1cccc(F)c1 69814842 PMCAVAJDWOSUCQ-HNNXBMFYSA-N 342.378 1.119 0 40 EDAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCO[C@H](CN(C)C)C1 69840577 CEKHXWLQPMJYSS-WMLDXEAASA-N 337.439 1.435 0 40 EDAB CCc1cc(CNC(=O)Nc2ccc(C)c(-n3nnnc3C)c2)[nH]n1 71902338 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CC(C)[C@H](NC(=O)NC[C@@H]1CCCO1)c1nc(-c2nc[nH]n2)no1 95972962 JUAWVNIMYCRICN-UWVGGRQHSA-N 335.368 1.030 0 40 EDAB O=C(CN1CCCC1=O)NCc1nc(-c2cccc(Cl)c2)no1 75139682 RKNNFQSLVRNTEK-UHFFFAOYSA-N 334.763 1.629 0 40 EDAB COCCS(=O)(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1 72265419 GAMVJILMGCUTLF-UHFFFAOYSA-N 340.445 1.165 0 40 EDAB COC[C@@H]1CN(C(=O)C[C@@H]2COc3cc(OC)ccc32)C[C@@H](C)O1 527134904 GBGXPRUCCMVSHK-NFAWXSAZSA-N 335.400 1.824 0 40 EDAB CCC1(S(=O)(=O)NC(=O)c2ccc3c(c2)OCCCO3)CC1 408498757 UGKDYHPDNKWGEZ-UHFFFAOYSA-N 325.386 1.850 0 40 EDAB O=C(NC[C@H](O)c1ccsc1)C(=O)Nc1ccc2c(c1)OCCO2 56906490 RMDUBLORBXPARS-LBPRGKRZSA-N 348.380 1.308 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2cncn2-c2ccccc2)C1 76375311 XOEYJGAPOGCTEQ-DZGCQCFKSA-N 347.440 1.958 0 40 EDAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)CC1 72241925 RKKDHZDEKMZPFY-AEFFLSMTSA-N 347.434 1.899 0 40 EDAB Cn1c(=O)c2c3c(sc2n(CC(N)=O)c1=O)CCc1ccccc1-3 71283809 SXBBDCWPXRUTEH-UHFFFAOYSA-N 341.392 1.013 0 40 EDAB 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1.908 0 40 EDAB O=C(N[C@@H]1COCCC12CCN(Cc1ccccn1)CC2)C1CC1 96209733 KWUFQFYXEDFBOJ-QGZVFWFLSA-N 329.444 1.979 0 40 EDAB Cn1cc(N2CC[C@]3(CCN(C(=O)c4cccc(F)c4)C3)C2=O)cn1 96159560 KUPIGLWBEWAJFL-SFHVURJKSA-N 342.374 1.828 0 40 EDAB Cc1cnc(C(=O)N2CC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)cn1 96072564 KLGIIQJMYXSEKP-DYVFJYSZSA-N 341.371 1.028 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](C)n2ccc(-c3ccc(F)cc3)n2)CC1 96455269 WIEASLQDAFZLBL-ZDUSSCGKSA-N 344.390 1.941 0 40 EDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)CC[C@H]2CCOC2=O)on1 583623204 YSJFPYHQHYZWCZ-KKUMJFAQSA-N 339.411 1.780 0 40 EDAB CN(C)CCO[C@H]1CN(C(=O)c2ccc(F)cc2)[C@@H]2CCCO[C@H]12 96187024 RWWGNMKDFVAUDS-IKGGRYGDSA-N 336.407 1.776 0 40 EDAB Cc1n[nH]c(C[C@H]2OC[C@H]3CN(C(=O)Cc4ccccc4)CC[C@H]32)n1 96215361 ZKHPRYFVGPNLHS-BRWVUGGUSA-N 340.427 1.762 0 40 EDAB Cc1nc2ncnn2c(N[C@H]2CC(=O)N(Cc3ccccc3)C2)c1C 96419429 VKLWCJQHEZHJER-HNNXBMFYSA-N 336.399 1.954 0 40 EDAB CN1CCN(c2ncnc3c2CCN(Cc2ccccc2)CC3)CC1 96255677 FZGMGUBQIPHQKI-UHFFFAOYSA-N 337.471 1.829 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccoc2)Cc2nccn2C1 96187871 DTQDGESDXUBQSF-OAHLLOKOSA-N 332.404 1.213 0 40 EDAB c1ccc(COC[C@@H]2CN(C[C@@H]3CCOC3)Cc3nccn3C2)nc1 96188137 CIPQPPFWMORJAI-DLBZAZTESA-N 342.443 1.963 0 40 EDAB O=C(O)c1cncc(S(=O)(=O)NCCc2ccc3c(c2)CCO3)c1 584170502 UVJFYVWJBQQQQX-UHFFFAOYSA-N 348.380 1.236 0 40 EDAB CCN1CCN(C(=O)[C@]2(C)CC(c3ccc(OC)cc3)=NO2)CC1 96192808 HOSOETZRCNBZSM-SFHVURJKSA-N 331.416 1.742 0 40 EDAB CCOC[C@@H]1CN(C(=O)NCc2nc3cccc(C)c3[nH]2)CCO1 527835353 HWYLXTCORJZXNS-ZDUSSCGKSA-N 332.404 1.818 0 40 EDAB CC(C)(C)c1ccc(C(=O)NCC(=O)NC(C)(C)c2cnn[nH]2)cc1 585088161 NEAIWGRFKWQHNY-UHFFFAOYSA-N 343.431 1.884 0 40 EDAB CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(F)nc1 585088777 CDRKDJARBYKVQT-OAHLLOKOSA-N 327.359 1.924 0 40 EDAB C[C@@H](C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 585088133 LMKDHNZTZBAQAW-GFCCVEGCSA-N 326.437 1.911 0 40 EDAB NC(=O)CC1(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 585130375 OMLOTBWSQFSSSG-OAHLLOKOSA-N 330.432 1.065 0 40 EDAB Cn1nccc1C(=O)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O 257322079 WEMZNIDWDAOVAA-DJIMGWMZSA-N 329.400 1.901 0 40 EDAB CNC(=O)CN1CC2(CO[C@@H]3c4ccccc4OC(C)(C)[C@H]3C2)C1 257232128 GJNKFCWAIHCRSP-WMLDXEAASA-N 330.428 1.983 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CCO2)ncn1 257329712 XLEDIGWDVQVXDP-SFHVURJKSA-N 346.475 1.677 0 40 EDAB NC(=O)[C@@H]1CN(CCc2ccccc2)CCN(C2CCOCC2)C1 257218158 DCBGAYHPWMOUKM-QGZVFWFLSA-N 331.460 1.127 0 40 EDAB CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 252479874 BOINOZCISWDZBB-KGLIPLIRSA-N 337.395 1.809 0 40 EDAB CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN2C(C)(C)C1 253403995 QTVJSGZNZZHOBX-INIZCTEOSA-N 333.407 1.593 0 40 EDAB biogenic,in-vitro Nc1nccnc1[C@H]1CN(C(=O)c2noc3c2CCCC3)CCO1 257275946 NRQROIURMFPHOM-GFCCVEGCSA-N 329.360 1.139 0 40 EDAB CNc1cc(CC[C@@H]2CN(C(=O)c3coc(C)n3)CCO2)ccn1 257254392 KCWBCLWKFPXAAZ-CQSZACIVSA-N 330.388 1.894 0 40 EDAB Cn1cc(-c2ccco2)nc1CCNC(=O)c1cccn(C)c1=O 85471245 MSKHAXYMXJMQHU-UHFFFAOYSA-N 326.356 1.351 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)C3CC3)CC2)cc1C 85466998 QESCLULKNGHWPS-KRWDZBQOSA-N 338.473 1.381 0 40 EDAB Cc1cc(C(=O)NC[C@@H](O)CN2CCCC2=O)oc1Br 1615044513 FMWWKDPVEQHHNZ-SECBINFHSA-N 345.193 1.064 0 40 EDAB CCNC(=O)CCC(=O)N1CCc2ncc(C(F)(F)F)cc2C1 1615548800 PEBHLAWUJUQSKW-UHFFFAOYSA-N 329.322 1.901 0 40 EDAB COC(=O)c1cc(S(=O)(=O)NCc2nc(C)c(C)o2)cnc1C 1615609091 BBMCNFSGUCPHHN-UHFFFAOYSA-N 339.373 1.260 0 40 EDAB CN(C)c1ccc(C2(C(=O)NCC3CCN(CCO)CC3)CC2)cc1 1615631406 WKMRWBFWSHGHMW-UHFFFAOYSA-N 345.487 1.605 0 40 EDAB COC(=O)[C@H]1CCc2nnc(COc3ccc(OC)cc3)n2CC1 601045370 WUXLBEPYEWUUIP-LBPRGKRZSA-N 331.372 1.991 0 40 EDAB COCC(=O)N1Cc2cccn2C[C@@H](OCc2cccc(C)n2)C1 575404093 LJDVZLADUCQAJO-QGZVFWFLSA-N 329.400 1.766 0 40 EDAB Cn1ncc2c(NCCc3ccccc3N3CCOCC3)ncnc21 585142401 WHFGMYUZDWEWET-UHFFFAOYSA-N 338.415 1.855 0 40 EDAB Cn1cc(/C=C/C(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 585289844 KWGXLSFSPIWDKG-TUAOIZQGSA-N 327.384 1.520 0 40 EDAB O=C(Cc1ccccn1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585278881 WNXXSXXGQPUAKR-IBGZPJMESA-N 326.396 1.457 0 40 EDAB Cc1cccc(O[C@@H]2CCC[C@H](N3CCC(C(N)=O)CC3)[C@H]2O)c1 585288632 GAVSGTNAAQQBNA-RCCFBDPRSA-N 332.444 1.853 0 40 EDAB COc1ccc(CN2Cc3ccnn3[C@H](CNC(=O)N(C)C)C2)cc1 585112908 WKZJEHLGHYLDTJ-MRXNPFEDSA-N 343.431 1.720 0 40 EDAB Cc1cn2nc(NCCS(=O)(=O)NCC3CCC3)sc2n1 68765961 RMYYXRWBJVDTNL-UHFFFAOYSA-N 329.451 1.231 0 40 EDAB COc1nccnc1N(C)CC1CCN(C(=O)[C@H]2CCOC2)CC1 1776009570 JIMZENDWLLIXMM-AWEZNQCLSA-N 334.420 1.197 0 40 EDAB COCC(=O)N1CCN(c2ccc(N3CCCC[C@@H]3C)nn2)CC1 48985553 UNHUSTKHUCPHEC-AWEZNQCLSA-N 333.436 1.150 0 40 EDAB O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CCC2(CC1)OCCO2 56636671 UPMIISDKSDACPF-OAHLLOKOSA-N 334.347 1.684 0 40 EDAB CNC(=O)c1ccc(NC(=O)CCOc2ccc(C(N)=O)cc2)cc1 75093751 XDHMFEYROLXUNV-UHFFFAOYSA-N 341.367 1.553 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1C[C@@H](O)c1ccc(Cl)cc1 40490093 OCTBPBTUVQYMMG-BXUZGUMPSA-N 326.805 1.801 0 40 EDAB CCn1ccnc(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1=O 91013891 DKXJUXYKSFHAGP-HOTGVXAUSA-N 348.491 1.979 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC(n3nccn3)C2)cc1F 888107136 QDRRDYYDEDOKNW-UHFFFAOYSA-N 326.353 1.062 0 40 EDAB COc1ccccc1CC(=O)NCCc1nc(-c2cccnc2)n[nH]1 12114788 CJTAYSNHJPBPNX-UHFFFAOYSA-N 337.383 1.777 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCn3c(nnc3C3CC3)C2)cc1 12158761 KNMXSPKCXAKZDB-UHFFFAOYSA-N 326.356 1.598 0 40 EDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nccs1 12752875 BXGGSHPSMFWEKS-MRVPVSSYSA-N 336.398 1.209 0 40 EDAB Cc1ccccc1Cn1cnc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 13960281 YNGPNBQFLNJWOZ-XGUBFFRZSA-N 338.367 1.302 0 40 EDAB COc1cc2nc(NN)n(-c3ccc(F)cc3)c(=O)c2cc1OC 15424568 ZPJIWRLOPSSKQZ-UHFFFAOYSA-N 330.319 1.828 0 40 EDAB COCCN1CCN(c2c(C(C)=O)nnn2-c2ccc(F)cc2)CC1 19023085 KMEISIXCDGZEJM-UHFFFAOYSA-N 347.394 1.377 0 40 EDAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCOCC1 19937671 KHCSHIWTKOTANI-UHFFFAOYSA-N 333.775 1.492 0 40 EDAB CCc1ccc(S(=O)(=O)N2CC[C@H](N3CCOC3=O)C2)s1 618257600 YZRIQNUMZUOXJL-JTQLQIEISA-N 330.431 1.526 0 40 EDAB O=C(c1noc2c1CCCC2)N1C[C@@H]2CN(c3cnccn3)C[C@H]2C1 1888868548 AWCWZHQTTNBPGX-STQMWFEESA-N 339.399 1.552 0 40 EDAB Cc1noc(CN2C[C@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)n1 1888879613 GZDRVYYRXCALOC-OKILXGFUSA-N 338.415 1.833 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=S)NC2CCCCC2)cc1 13597791 ATIQLYCTMQTITL-UHFFFAOYSA-N 341.502 1.673 0 40 EDAB O=S(=O)(N[C@H]1CCCN(c2ncc(Cl)cc2F)C1)C1CC1 1889103097 KZTHJWPQWZWWJL-JTQLQIEISA-N 333.816 1.925 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[C@@H](Oc2cnccn2)C1 245108440 SXBWZNQCQLRBMD-OGHNNQOOSA-N 341.367 1.685 0 40 EDAB COCCCN1CCO[C@H]2CN(C(=O)c3sccc3F)C[C@@H]21 2056224286 UQGRSQXNSHAXIJ-STQMWFEESA-N 328.409 1.449 0 40 EDAB O=C(c1ccccc1)N1CCO[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2C1 1146836159 JZWSMFGHBSRYRL-GOEBONIOSA-N 340.383 1.023 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)c(F)c1 10326931 QSFVFUXTQFEJGZ-UHFFFAOYSA-N 334.278 1.948 0 40 EDAB CC(=O)NCCn1ncc2c(=O)n(Cc3cccc(C)c3)cnc21 12072213 HIPYNAZXCIKUSY-UHFFFAOYSA-N 325.372 1.086 0 40 EDAB O=C(COc1ccccc1F)NCCCc1cnc2ncnn2c1 225641901 KBMOWZBLOCIMMJ-UHFFFAOYSA-N 329.335 1.391 0 40 EDAB Cc1ccc(CNC(=O)Cn2c(N3CCCC3)nc(C)cc2=O)cc1 49411000 XSVCBONOULRGEV-UHFFFAOYSA-N 340.427 1.777 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(=O)n2ccccc2n1 30707974 XVVKIVGLPPZNJA-KRWDZBQOSA-N 348.406 1.367 0 40 EDAB CC[C@@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)N1CCCC1 31229444 JQORXKPEUVBXIS-ZDUSSCGKSA-N 328.416 1.538 0 40 EDAB Cc1noc(CSc2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)n1 50635389 KVVCVLCXXDPTIL-ZDUSSCGKSA-N 346.412 1.679 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@H]3CCCO3)c(C)c12 31659142 IUXNZTLPUASGJH-GFCCVEGCSA-N 332.404 1.106 0 40 EDAB CC(=O)[C@H](NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3)C(C)C 31628607 NGHADVPDCJNAKE-OAHLLOKOSA-N 347.440 1.677 0 40 EDAB OCCNc1nc(NCc2ccc3c(c2)OCO3)nc2nccnc12 32094575 JWBVFNYESDWRIC-UHFFFAOYSA-N 340.343 1.165 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c1 32409226 FCAODVUNIGSKMK-HNNXBMFYSA-N 348.399 1.735 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N[C@]1(O)C(F)(F)F 350686 GDGRQDVRZXBEGA-OUJBWJOFSA-N 332.278 1.471 0 40 EDAB COc1cc([C@H](C)Nc2ncnc3[nH]cnc23)ccc1OCCO 52488758 OIFQCZWVBYVPBG-JTQLQIEISA-N 329.360 1.906 0 40 EDAB CN(C(=O)Cn1ccc(=O)n(C)c1=O)[C@@H]1CCCc2ccccc21 32969100 CQJGHMQOCHEEOL-OAHLLOKOSA-N 327.384 1.083 0 40 EDAB Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 33089818 HWOOAZPXGPCYCC-UHFFFAOYSA-N 345.424 1.537 0 40 EDAB Cc1nc2cc(F)cc(C(=O)N[C@@H](C)CN3CCOCC3)c2nc1C 53231530 UIKBLNIWHRWFTM-NSHDSACASA-N 346.406 1.836 0 40 EDAB COC(=O)N(C)CC(=O)NCCCNc1ccc(C(F)(F)F)cn1 53513056 OAQLGOGCCFJIIS-UHFFFAOYSA-N 348.325 1.717 0 40 EDAB Cc1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c(O)c1 8945296 RUBIZLRJRIUNBM-UHFFFAOYSA-N 331.372 1.894 0 40 EDAB C[C@@H]1CN(C(=O)CCn2cnc3sccc3c2=O)C[C@H]1N(C)C 78895219 QHKGHXPGDBQTBR-DGCLKSJQSA-N 334.445 1.257 0 40 EDAB COC(=O)c1ccc(C(=O)NCC2(N3CCOCC3)CCCC2)cc1 78879388 ISYMFBILGNLAQD-UHFFFAOYSA-N 346.427 1.848 0 40 EDAB CCc1cnc(CN(C)[C@H]2CCN(CC(=O)Nc3cc(C)on3)C2)o1 78892028 SYHSTAANSUREGT-ZDUSSCGKSA-N 347.419 1.678 0 40 EDAB Cc1cccn2cc(CN3CCc4ccc(S(N)(=O)=O)cc43)nc12 78950033 LUFCFUKQRNBMSF-UHFFFAOYSA-N 342.424 1.853 0 40 EDAB CN1CCN(Cc2nc(CS(C)(=O)=O)no2)c2cc(F)ccc21 72773982 SVAJLDCLKBWEFK-UHFFFAOYSA-N 340.380 1.210 0 40 EDAB Nc1ccc(C(=O)NCCCCNC(=O)c2ccc(N)cc2)cc1 6344736 LIZCHYBCPVWQNO-UHFFFAOYSA-N 326.400 1.791 0 40 EDAB CCN1CCN(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)CC1 6843145 FKENTHQFVCGKGT-VQHVLOKHSA-N 334.416 1.890 0 40 EDAB Cc1cccc(OC[C@@H](O)CNC[C@H]2CCCN2c2cccnn2)c1 72253913 HZMAAAFDSQCEJM-SJORKVTESA-N 342.443 1.783 0 40 EDAB CC1(C)NC(=O)N(CCC(=O)OCC(=O)c2ccccc2F)C1=O 24870044 AGWNPXMRRHPLCF-UHFFFAOYSA-N 336.319 1.272 0 40 EDAB O=C(c1ccccc1)N1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 34659159 URCIYUHSXLEVCQ-UHFFFAOYSA-N 342.790 1.969 0 40 EDAB NC(=O)c1ccccc1COC(=O)[C@@H]1Cc2ccccc2C(=O)O1 72273568 AZNQFLMNCUPFMJ-HNNXBMFYSA-N 325.320 1.610 0 40 EDAB COc1ccc(O)c(C(=O)c2cnn(-c3nc(C)cc(O)n3)c2)c1 43301120 WYILPKIZWDQCJL-UHFFFAOYSA-N 326.312 1.622 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2CCC(C)CC2)ccc1OC 8476058 WWLQFUXZNAGZKS-UHFFFAOYSA-N 326.418 1.475 0 40 EDAB CS(=O)(=O)Cc1ccc(CN[C@H](C(N)=O)c2ccccc2)cc1 56204054 VFXQUAFGHRXQCC-INIZCTEOSA-N 332.425 1.547 0 40 EDAB CC[C@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCN1C[C@H](C)O 107351136 JWQWGRITJBDXMF-JSGCOSHPSA-N 340.855 1.451 0 40 EDAB COCCNc1c(N2CCN(c3cccc(Cl)c3)CC2)c(=O)c1=O 101704195 JNEGFQGFZZLQRH-UHFFFAOYSA-N 349.818 1.321 0 40 EDAB COc1ccc(NC(=O)COC(=O)c2cnc(C)cn2)cc1OC 3243813 IQUZMLGTVMQPTL-UHFFFAOYSA-N 331.328 1.598 0 40 EDAB O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 57553075 KHVMNDYWIIJYAU-LLVKDONJSA-N 344.383 1.649 0 40 EDAB O=C(Cn1cnnn1)N1CCC[C@H]1c1ccccc1Br 87497664 WNDYDXXGOVEYGU-LBPRGKRZSA-N 336.193 1.799 0 40 EDAB CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=O)C1 27021875 LIHVXAAVKVQVID-ZDUSSCGKSA-N 343.383 1.595 0 40 EDAB O=S(=O)(Oc1ccc(I)cc1)C1COC1 97105370 OIMOXOXOVDXQKS-UHFFFAOYSA-N 340.138 1.399 0 40 EDAB O=C(COc1cccc(I)c1)N1CCNC1=O 35800776 AYMAMGTUOMRQSH-UHFFFAOYSA-N 346.124 1.222 0 40 EDAB COc1cc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OC)cc1Cl 58016157 OAERBQGRLVDXIR-MRVPVSSYSA-N 348.808 1.666 0 40 EDAB COc1cc(CN(C)C(=O)c2ccc(=O)[nH]n2)ccc1OC(F)F 35903422 ZUTZXMXGYPMMSP-UHFFFAOYSA-N 339.298 1.652 0 40 EDAB Cc1cc(CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)on1 27563034 YCLVDOCWELCOER-UHFFFAOYSA-N 338.415 1.826 0 40 EDAB CCC(C)(C)NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 27556714 HVPVQVBULRDCNA-NSHDSACASA-N 339.461 1.390 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 20457507 MDIUJVWYHOVNBS-LLVKDONJSA-N 345.852 1.797 0 40 EDAB COc1cc([C@@H](C)NC(=O)c2n[nH]c(=O)[nH]2)ccc1OCC(C)C 58149810 YKWPXCKLCNQGRR-SNVBAGLBSA-N 334.376 1.632 0 40 EDAB COCCNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 48250739 XSPKWOJMETUBFE-UHFFFAOYSA-N 332.447 1.299 0 40 EDAB O=C([C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1)N1CCOCC1 247849292 IHMPHJLXGSPGEY-LLVKDONJSA-N 344.337 1.571 0 40 EDAB CCNC(=O)CNS(=O)(=O)c1cc(Br)ccc1F 58201439 HIVLIDZVGYUOMD-UHFFFAOYSA-N 339.186 1.003 0 40 EDAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC(=O)N1CCCC1 12758269 MWOMDHCMGMZMGV-UHFFFAOYSA-N 329.404 1.673 0 40 EDAB Cc1nnc2n1C[C@@H](NCc1ccc(OCCN(C)C)cc1)CC2 97199401 KAQSSFGAXAICCX-INIZCTEOSA-N 329.448 1.632 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(C(=O)NC(C)(C)C)cc1 58378949 MLWUTETUZXUDQM-WFASDCNBSA-N 345.443 1.941 0 40 EDAB Cc1c(C(=O)NCc2cccs2)cnn1[C@H]1CCS(=O)(=O)C1 58356560 ZQWLWYDXRMYFIA-NSHDSACASA-N 339.442 1.543 0 40 EDAB Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(C)(=O)=O)n1 58377844 CTADQFPILDOSNG-HNNXBMFYSA-N 345.424 1.715 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N2CCC(n3cncn3)CC2)cc1 58407461 KSLHYWVQJJZUCK-QPJJXVBHSA-N 339.399 1.515 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](C)Cn2cccn2)c1 36397758 AUKMKANSVQGJDR-GFCCVEGCSA-N 339.417 1.515 0 40 EDAB CCCN(CC1CC1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 3313766 YZPQUZXXKUOQKI-UHFFFAOYSA-N 336.413 1.480 0 40 EDAB CC1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 3304104 IFTUDCAZUJOIOB-LJQANCHMSA-N 341.411 1.638 0 40 EDAB CCN(Cc1nonc1C)S(=O)(=O)c1cnn(C(F)F)c1C 36614652 WNVZTQVHFXOKEK-UHFFFAOYSA-N 335.336 1.489 0 40 EDAB COc1cc(NC(=O)[C@@H](C)OC(=O)c2cnc(C)cn2)cc(OC)c1 11480971 MURSBNFFASCCBZ-LLVKDONJSA-N 345.355 1.986 0 40 EDAB O=C(c1ccc(N2CCOCC2)nc1)N1CCOc2ccccc21 36763911 OZHMPMXEXCKQPA-UHFFFAOYSA-N 325.368 1.957 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)c12 46551797 PPYHOQSIQWLLJD-NSHDSACASA-N 349.412 1.668 0 40 EDAB CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1 12814375 IEMQGZYFJDBFLT-ZDUSSCGKSA-N 341.477 1.731 0 40 EDAB CN1CCN(Cc2nc(N)nc(N3CCCc4ccccc43)n2)CC1 20466777 PRXPRPGGMDGMGN-UHFFFAOYSA-N 339.447 1.286 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 46952887 VQODDMOADSXEEY-RYUDHWBXSA-N 333.358 1.455 0 40 EDAB COC(=O)[C@@H](NC(=O)CCc1nc2ccccc2n(C)c1=O)C(C)C 72325761 WBJWGKLRYQGPJH-INIZCTEOSA-N 345.399 1.180 0 40 EDAB biogenic CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCN(C)C)c1 12973021 MHMQLVYYMLGPGJ-UHFFFAOYSA-N 345.440 1.148 0 40 EDAB COc1ncnc2c1CN([C@@H](C)C(=O)NCc1cccs1)CC2 97202337 XIXNRYODCOVVIS-NSHDSACASA-N 332.429 1.610 0 40 EDAB CCOC(=O)[C@](O)(NC(=O)c1ccccc1OCC)C(F)(F)F 4207741 FXPAOCAOUOPVJE-CYBMUJFWSA-N 335.278 1.629 0 40 EDAB c1ccc(OC[C@@H]2CN(c3ccc4nncn4n3)Cc3ccnn32)nc1 306134763 NXMUTFHIHCWUTR-AWEZNQCLSA-N 348.370 1.356 0 40 EDAB Cc1sc2ncn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c(=O)c2c1C 6110845 BJQWQNDUYSJLTF-UWVGGRQHSA-N 335.429 1.711 0 40 EDAB CC(C)OCCCNC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 39983379 LAXGOLAOCGLFOI-HNNXBMFYSA-N 347.415 1.081 0 40 EDAB CCN(CC)c1ccc(NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cn1 65458352 OJQCTQNIELUJEI-ZDUSSCGKSA-N 340.449 1.579 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCCOCc2ccccc2Cl)C1 65465753 NFHWJQUIHADQPF-NSHDSACASA-N 325.796 1.373 0 40 EDAB COC(=O)c1cccc(NC(=O)Cn2nnc(-c3cccs3)n2)c1 14077317 HHSXSOBOCAREGF-UHFFFAOYSA-N 343.368 1.827 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 65586417 ORAWPEXFDQDUMH-INIZCTEOSA-N 348.472 1.634 0 40 EDAB COC(=O)N[C@H](CC(C)C)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 65591241 QCEAKBXYKSDKKA-CYBMUJFWSA-N 341.452 1.474 0 40 EDAB O=C1CN(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C(=O)N1 84502081 HTULGSMLCVXCQL-DTWKUNHWSA-N 327.262 1.392 0 40 EDAB Cc1cc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)on1 14241275 QQYPTAIAUDDNAP-UHFFFAOYSA-N 325.250 1.975 0 40 EDAB Cn1cccc1C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1 6846645 UBKDHTOWVAWWTE-INIZCTEOSA-N 328.368 1.782 0 40 EDAB COc1ccc(NC(=O)COC(=O)c2cc[n+]([O-])cc2)c(OC)c1 5961466 UFJODEOGMSECOL-UHFFFAOYSA-N 332.312 1.133 0 40 EDAB O=C1CN(C(=O)[C@H]2CCn3cncc3C2)CCN1CC1CCCC1 95436373 ZSNARALBSSBAGF-HNNXBMFYSA-N 330.432 1.307 0 40 EDAB O=C(CCNC(=O)[C@@H]1CC(=O)Nc2ccccc21)Nc1cccnc1 68128465 BLGOOLYRBGYKBT-CQSZACIVSA-N 338.367 1.652 0 40 EDAB CN(C)c1cc(CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)ccn1 81477300 VHXTWDJPXHOUHL-ZDUSSCGKSA-N 332.326 1.356 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C)c2ccccc2C1 69162279 WWWWGHXQMSXMLT-UHFFFAOYSA-N 334.445 1.678 0 40 EDAB O=C(CNC[C@@H]1CCCN1c1cccnn1)NC(C1CC1)C1CC1 71859893 SRBHZMCRFGEXRO-HNNXBMFYSA-N 329.448 1.340 0 40 EDAB O=C(Nc1nncs1)N1CCN(C[C@@H](O)c2ccccc2)CC1 70010012 ZVRCMFVNDXIMFN-CYBMUJFWSA-N 333.417 1.421 0 40 EDAB Cc1nc(-c2ccco2)ccc1C(=O)N1CCN(C[C@@H](C)O)CC1 70040941 MXHOJTCEUIUKPV-CYBMUJFWSA-N 329.400 1.789 0 40 EDAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 8319184 DUGADXJIMZGXHY-NWDGAFQWSA-N 327.425 1.274 0 40 EDAB CCCCn1nnnc1CNS(=O)(=O)c1cc(F)c(C)cc1F 95417517 LMTFJQBPUDSSHM-UHFFFAOYSA-N 345.375 1.538 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)Nc3cc(C4CCCC4)[nH]n3)cnc21 69950843 FVPBQTNSYLEXRJ-UHFFFAOYSA-N 341.375 1.149 0 40 EDAB CCCc1noc(CCC(=O)N2CCCN(c3cccnn3)CC2)n1 69919138 AUOKKQXQIALLIJ-UHFFFAOYSA-N 344.419 1.484 0 40 EDAB O=C(NC[C@@H]1C[C@@]12CCCc1ccccc12)N[C@@H]1CCCNC1=O 95414377 RGJZVPNRFRJZLW-GMBSWORKSA-N 327.428 1.858 0 40 EDAB C[C@H]1CN(C(=O)CN(Cc2cccnc2)Cc2ccco2)CCO1 97080444 FPCKQBQBEIEPCX-HNNXBMFYSA-N 329.400 1.924 0 40 EDAB Cn1ccnc1CN1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 97084119 VBZOGJICIAOEMU-CQSZACIVSA-N 325.372 1.073 0 40 EDAB Cc1n[nH]c(SCC(=O)NCc2ccc(-n3cccn3)cc2)n1 73698296 FPTHAMYMVPIYQM-UHFFFAOYSA-N 328.401 1.707 0 40 EDAB Cn1ccc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)cc1=O 95953781 HCWCOLGKQBORQE-UHFFFAOYSA-N 329.375 1.877 0 40 EDAB CN(C)c1cc(CNC(=O)NC[C@H](O)C2CC2)c2ccccc2n1 74928225 PNFRRXDDOJKCQQ-INIZCTEOSA-N 328.416 1.871 0 40 EDAB COc1ccccc1-c1cc(CSc2nc(N)nc(N)n2)on1 9954863 DIGICKKBUYGCFX-UHFFFAOYSA-N 330.373 1.992 0 40 EDAB COC(=O)[C@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)C[C@@H](C)O1 89496955 ZXFSUQSKPOJOLT-MLGOLLRUSA-N 333.363 1.774 0 40 EDAB Cc1[nH]cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(=O)c1Cl 89505507 SUTFMHUPGURAKV-UHFFFAOYSA-N 343.767 1.118 0 40 EDAB CC[C@H](NC(=O)Cc1ccn[nH]1)[C@@H]1CN(Cc2ccccc2)CCO1 89942888 JEJTZZCBTHERET-ROUUACIJSA-N 342.443 1.748 0 40 EDAB C[C@H]1CN([C@@H](C)CNC(=O)NCc2nnc3ccccn23)C[C@@H](C)O1 89930292 COGZEMNBEXJYOL-MELADBBJSA-N 346.435 1.026 0 40 EDAB COC(=O)[C@H]1CN(C(=O)NCC2(c3ccccc3OC)CC2)CCO1 75582757 VKOJLFUAODWGEA-OAHLLOKOSA-N 348.399 1.310 0 40 EDAB CC(C)C[C@](C)(CNC(=O)c1cnccn1)NC(=O)c1cnccn1 75612164 YHFGKOUDLHIMKV-QGZVFWFLSA-N 342.403 1.231 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 75606277 SKYHWDMREZQOCT-NXOAAHMSSA-N 340.464 1.018 0 40 EDAB Cc1cc(OCC(=O)N2CCO[C@@H](c3nc(C(C)(C)C)n[nH]3)C2)no1 76046189 HCSSHVVYMMYTJL-LLVKDONJSA-N 349.391 1.378 0 40 EDAB CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@@H]1C2 306129600 IHXBLEAINWFCRN-QWHCGFSZSA-N 331.445 1.394 0 40 EDAB Cc1c(C(=O)N[C@H]2CCc3nnc(C)n3C2)cnn1-c1ccccn1 62640064 MYBOVUBRPCUWQU-ZDUSSCGKSA-N 337.387 1.220 0 40 EDAB COCc1n[nH]c(CNC(=O)N[C@H]2CCCc3ccccc3C2)n1 1551218829 IQKNHDRXFKNUQU-AWEZNQCLSA-N 329.404 1.698 0 40 EDAB CC(=O)c1ccc(-n2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 62720418 OKUNIEQSNMYYFG-UHFFFAOYSA-N 337.339 1.176 0 40 EDAB Cc1cnc(CCNC(=O)[C@@H]2CN(c3nccs3)CCO2)s1 72366525 RFNOEDKSTKXXSN-NSHDSACASA-N 338.458 1.472 0 40 EDAB Cc1nc(NCC[S@](C)=O)cc([C@H]2CN(C(C)C)CCO2)n1 72387927 PRAFRQOIYXTXTC-JLCFBVMHSA-N 326.466 1.357 0 40 EDAB Cc1ccc(C(=O)N2CSC[C@H]2C(=O)NCCC(C)C)c(=O)[nH]1 78910710 BRQQVOAORUWSEA-ZDUSSCGKSA-N 337.445 1.361 0 40 EDAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H]1CO[C@@H]2C=CC=C[C@@H]2O1 72243043 ZNJLBBPXCGRSGZ-YVSFHVDLSA-N 327.384 1.557 0 40 EDAB NC(=O)CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O 72334566 XYXTVCVONGIHEP-UHFFFAOYSA-N 332.363 1.987 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC 218082575 AVRKSDQXIJUDCM-IJEWVQPXSA-N 341.429 1.104 0 40 EDAB COc1ccccc1CCN(C)C(=O)c1c(C)c(C)nn(C)c1=O 78551874 IPRQVYWAYJUVIE-UHFFFAOYSA-N 329.400 1.720 0 40 EDAB C[C@@H](CO)N1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 14531546 YZPFTJZYHBIBKR-AWEZNQCLSA-N 331.416 1.296 0 40 EDAB O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1cnccc1C(F)(F)F 568246467 OUMOSJWMLUTFDN-SNVBAGLBSA-N 346.305 1.958 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2ccc(-n3cccn3)nn2)CC1 75163871 HUADSMQILDHCAL-UHFFFAOYSA-N 329.360 1.078 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[S@](=O)C(C)(C)C2)[nH]n1 88205415 GRLYMJFUSZUBQT-XMMPIXPASA-N 349.460 1.410 0 40 EDAB CCc1nc(CN2CCN(C[C@H](O)c3ccccc3)[C@H](C)C2)no1 69740803 QEMRQWLTZDCSDB-ZBFHGGJFSA-N 330.432 1.872 0 40 EDAB Cc1csc(=O)n1CCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 40553767 TVOVVSMXSSIHNI-CYBMUJFWSA-N 347.444 1.184 0 40 EDAB CCNC(=S)Nc1nc(N2CCCC2)cc(N2CCOCC2)n1 225881515 AROVJBKELJYDGM-UHFFFAOYSA-N 336.465 1.220 0 40 EDAB Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)nn1 225422783 AYHOLYZACMVGIV-CYBMUJFWSA-N 327.340 1.807 0 40 EDAB COCCCNC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225972681 IAZFXLGGDJXNEV-UHFFFAOYSA-N 334.825 1.502 0 40 EDAB O=C(NCCCc1nc(=O)[nH][nH]1)[C@@H](F)c1ccc(C(F)(F)F)cc1 225791348 CVCXKCNKKNYMJG-NSHDSACASA-N 346.284 1.876 0 40 EDAB CCc1noc([C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1 41122299 QMVQZPFBVULMDV-NSHDSACASA-N 340.405 1.805 0 40 EDAB CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(C3COC3)C[C@H]21 514288679 RIOPZTVIEDYCDM-OCCSQVGLSA-N 342.317 1.621 0 40 EDAB biogenic,in-vitro O=C(NC[C@H](Cc1cccc(F)c1)N1CCCC1=O)c1cnccn1 85467416 MOGTYWQOGRACQQ-HNNXBMFYSA-N 342.374 1.579 0 40 EDAB O=C([C@H]1COC2(CCN(Cc3ccccc3)CC2)C1)N1CCOCC1 96224891 PHIIIRDUAZJLNS-GOSISDBHSA-N 344.455 1.917 0 40 EDAB CC1(C(=O)NCc2cccc(OCC(=O)NC3CC3)c2)CCOCC1 96403247 YEWKTEJLLCUJRK-UHFFFAOYSA-N 346.427 1.777 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2cncnc2)cc1 583623229 YUNWWAVXTQAKIN-AEFFLSMTSA-N 327.384 1.998 0 40 EDAB CC(C)Oc1cncc(S(=O)(=O)N2CCOCC(F)(F)C2)c1 583651316 JNDVYAICLFLKEL-UHFFFAOYSA-N 336.360 1.525 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 96426936 RLLPFBZFFPAXEG-GFCCVEGCSA-N 349.504 1.605 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3OCC[C@@]3(c3nnc(C)o3)C2)cn1 97953363 SJEBEFCRGGAPSW-CZUORRHYSA-N 329.360 1.049 0 40 EDAB Cc1ccc(N2C[C@H]3OCC(=O)N(Cc4csc(C)n4)[C@@H]3C2)nn1 96081615 JIOQOHJGFRVYSY-ZIAGYGMSSA-N 345.428 1.166 0 40 EDAB CN(Cc1cn2c(n1)CN(C(=O)[C@H]1CCOC1)CC2)Cc1ccco1 96197480 XQUJLIWZIDAMRG-AWEZNQCLSA-N 344.415 1.487 0 40 EDAB Cc1cccc(CS(=O)(=O)N2CCN(c3ncncc3C)CC2)c1 96024496 IRKHGDACFQPPMO-UHFFFAOYSA-N 346.456 1.745 0 40 EDAB Cc1ccc(CN2C[C@@H]3[C@@H](COC[C@@H]3NS(C)(=O)=O)C2)s1 96185732 NVARQQDMHSMAOX-BNOWGMLFSA-N 330.475 1.053 0 40 EDAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(C(=O)Cc4ccsc4)CC[C@@H]23)n1 96208093 XGSBQNRATNFJJP-KFWWJZLASA-N 346.456 1.823 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCN(c2ncncc2C)CC1 96024490 FERBNRVLRUGQPC-UHFFFAOYSA-N 348.428 1.305 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(CC1CCOCC1)C2)c1ccco1 96108459 DXTOBEXNSMVBNI-QAPCUYQASA-N 334.416 1.384 0 40 EDAB CCC1=N[C@@]2(CC[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)C(=O)N1CC1CC1 96261645 ZVJKFJBNYPYYFI-ZRGWGRIASA-N 346.475 1.216 0 40 EDAB Cc1csc([C@H]2CN(CC(=O)Nc3cc(C)nn3C)CCO2)n1 97199601 SWPUTGKNSBZJIP-GFCCVEGCSA-N 335.433 1.505 0 40 EDAB C1CC(COC[C@@H]2CC[C@H]3[C@H](CCN3[C@H]3CCOC3)O2)CCO1 247826302 FZOQGJXJYUWEGL-XSLAGTTESA-N 325.449 1.840 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 242548479 LMTPREMMWVSIDW-YRGRVCCFSA-N 331.821 1.359 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@@]2(CCCN(CC3CCOCC3)C2)C1 248079202 UWONXTIFJWAIJZ-MJGOQNOKSA-N 346.475 1.963 0 40 EDAB COc1cc(CNC(=O)[C@@H]2COCCO2)c(Br)cc1O 585089899 GLRKTSKVZLTTLQ-LBPRGKRZSA-N 346.177 1.195 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1[C@@H](O)c1ccccc1 585127183 SBAVUXPWAVUMKN-PMPSAXMXSA-N 337.441 1.536 0 40 EDAB CCO[C@@]1(CS(=O)(=O)N[C@H](C)Cc2c(C)noc2C)CCOC1 585115899 ZBPNBVWHABFDAT-ABAIWWIYSA-N 346.449 1.337 0 40 EDAB O=C1CCCCCN1CC(=O)N1CCOC[C@H]1CCc1cnccn1 257243112 IFNLBRVJEFMDOI-MRXNPFEDSA-N 346.431 1.039 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@H](c3cc(C)nc(C)n3)C2)on1 257271444 MYJHQBFGBFAXQQ-HNNXBMFYSA-N 346.387 1.623 0 40 EDAB Cc1cc2nc(C3CCN(C(=O)c4ccnnc4)CC3)cc(O)n2n1 257342864 ZQKOOOLJBFDNDL-UHFFFAOYSA-N 338.371 1.553 0 40 EDAB CO[C@@H]1CCCC[C@@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)[C@H]1O 257224079 FAFHEPJBJIZBSC-HLUHBDAQSA-N 335.326 1.487 0 40 EDAB CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1O 257226385 FKLBNLQMIYFEIE-IAGOWNOFSA-N 326.400 1.184 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCOC[C@@H](Cc2cncnc2)C1 257342205 ZNNXPULSKLJTIG-INIZCTEOSA-N 329.375 1.876 0 40 EDAB CCS(=O)(=O)CCN1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 253494289 WZHCJOGSNVFJFN-AWEZNQCLSA-N 340.445 1.129 0 40 EDAB COC[C@H](NC(=O)NC[C@H](O)c1cc(C)cc(C)c1)[C@H]1CCCO1 252507547 WOHBJUCZNVDBCD-YESZJQIVSA-N 336.432 1.830 0 40 EDAB Cc1cc(CNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)no1 599400298 CPZSVDURTGBQNV-UHFFFAOYSA-N 325.328 1.198 0 40 EDAB C[C@@H](C(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1)n1cccn1 390830683 MQNBTGKXKJDJGC-HOCLYGCPSA-N 347.440 1.833 0 40 EDAB O=C(NC1CC1)c1cnn2c1CN(C(=O)Cc1ccccc1)CCC2 585110886 UKZGUKXRJLVUSK-UHFFFAOYSA-N 338.411 1.750 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1cnn(C(C)C)c1)C2 585102778 FIGWYWJGTMAHEI-OAHLLOKOSA-N 341.477 1.490 0 40 EDAB O=C(NCCCn1cccn1)[C@H]1CSCN1C(=O)C1CCCC1 65591471 BUPFHVODRANCKO-CQSZACIVSA-N 336.461 1.481 0 40 EDAB C[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 68830423 PHBSFGQJCLCLFF-STQMWFEESA-N 339.461 1.783 0 40 EDAB OCCN1CCC(CNCc2nccn2Cc2ccccc2)CC1 69980660 DLOGMXXUXXABNO-UHFFFAOYSA-N 328.460 1.725 0 40 EDAB CO[C@H]1C[C@@H](CNC(=O)CC2CC(F)(F)C2)N(c2ccncn2)C1 1551914616 PPDGCENSMIKLRL-STQMWFEESA-N 340.374 1.622 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](n2cccn2)C1 69348498 LPZKLMJGIRTYLN-CQSZACIVSA-N 337.383 1.457 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)N2CCC3(CC2)OCCO3)c1 43868495 YPRJXQYSJWGJJF-UHFFFAOYSA-N 340.401 1.461 0 40 EDAB Cc1ccnc(N2C[C@H]3CN(C(=O)c4csc(C)n4)C[C@H]3C2)n1 1066058641 ZQKWEKJYJKRCMW-BETUJISGSA-N 329.429 1.758 0 40 EDAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)Cc3ccccc3)[C@@H](C)C[C@H]21 1775964415 QNNZAKPDUALEBS-DZJNRPSUSA-N 344.455 1.865 0 40 EDAB biogenic,in-vitro COc1ccccc1OCCNS(=O)(=O)N1CCCC[C@@H]1C 45797197 VWVGUJSKKHMLHN-ZDUSSCGKSA-N 328.434 1.783 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)CCn3c(C)csc3=O)C2)n1 54662388 CHQDMMYTJSAIFI-LBPRGKRZSA-N 336.417 1.706 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@@](O)(c1ccco1)C1CC1 75154942 UHAMZDRRGZSXDI-AWEZNQCLSA-N 326.374 1.461 0 40 EDAB CC1(C)NC(=O)N(CCS(=O)(=O)c2ccc(F)c(Cl)c2)C1=O 75607271 CUCHWKWYLXGSPY-UHFFFAOYSA-N 348.783 1.583 0 40 EDAB CCc1cnc(CN(C)[C@H]2CCN(CC(=O)NCc3ccco3)C2)o1 76047815 MIWYVSQZFCPLMU-AWEZNQCLSA-N 346.431 1.653 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC(Cn2ccnc2C)CC1 85436378 SGPZPKCXANOLCX-UHFFFAOYSA-N 338.433 1.897 0 40 EDAB Cc1ccc(F)c(N(C#N)CC(=O)N[C@H](C)C(=O)N2CCCCC2)c1 95417906 GMUYRUULJWNDLK-CQSZACIVSA-N 346.406 1.939 0 40 EDAB O=S1(=O)N=C(N2CCCN(c3ncccn3)CC2)c2ccccc21 301303215 WNZCXJLXFGOVPG-UHFFFAOYSA-N 343.412 1.138 0 40 EDAB CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ncccn1)C[C@H]2CO 575444811 ROHQKTVQPAZBOK-AWEZNQCLSA-N 348.447 1.922 0 40 EDAB COC(=O)c1nc(NC(=S)NC(=O)c2ccco2)sc1C 5022343 HYXZJWPQBJOOSY-UHFFFAOYSA-N 325.371 1.958 0 40 EDAB Cc1cc(NC(=O)C(=O)NCCc2ccc3c(c2)CCCN3C)no1 13006753 SCCXVDAPEIYVBP-UHFFFAOYSA-N 342.399 1.663 0 40 EDAB Cc1ccc(O)c(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)n[nH]2)c1 13121930 LLBIXASBRUARBY-JTQLQIEISA-N 335.385 1.008 0 40 EDAB Cc1ccc(NC(=O)Nc2nc[nH]n2)cc1NC(=O)Nc1nc[nH]n1 16347514 LYFVGEQJTGWPPF-UHFFFAOYSA-N 342.323 1.519 0 40 EDAB COc1nccnc1O[C@@H]1CCCN(C(=O)c2snnc2C)C1 225493238 PDOLCYVOXQSDCB-SNVBAGLBSA-N 335.389 1.329 0 40 EDAB COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 244933220 CHTLFNRQIKAXJC-YRGRVCCFSA-N 327.402 1.310 0 40 EDAB CCOC(=O)C1=C(CSc2nnc3ccccn23)NC(=O)N[C@@H]1C 6170984 SSXYJIROOCNWIL-SECBINFHSA-N 347.400 1.340 0 40 EDAB COc1ccnc(N2C[C@H]3CN(C(=O)C4CC(F)(F)C4)C[C@@H]3C2)n1 1888834296 XGARJCRURAWDLH-VXGBXAGGSA-N 338.358 1.425 0 40 EDAB COc1ccc(C(=O)NC2CN(c3nnc(C)s3)C2)c(OC)c1 1888856879 SEHBYWZZDVIEQJ-UHFFFAOYSA-N 334.401 1.482 0 40 EDAB O=C(NCc1ccco1)C(=O)NC[C@H](c1ccsc1)N1CCC1 245174020 YGKUSUPCHJMAEA-CQSZACIVSA-N 333.413 1.521 0 40 EDAB CC(C)N1C[C@]2(CCN(C(=O)c3cccc(F)c3)C2)COCC1=O 2037984916 RPXVWKBDCYSFRW-GOSISDBHSA-N 334.391 1.925 0 40 EDAB CCS(=O)(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CC2)CC1 2056225287 IIIFBEQEZMEFRR-CQSZACIVSA-N 346.468 1.931 0 40 EDAB Cc1nnsc1C(=O)NC[C@@H](c1ccoc1)N1CCSCC1 253403591 QDYZAVLIKMEISN-LBPRGKRZSA-N 338.458 1.959 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 1565552162 PRHSHJKFSNJFPD-JKIFEVAISA-N 332.404 1.075 0 40 EDAB CSc1ncccc1C(=O)NC[C@@]1(OCCO)CCSC1 1565519979 AUPWQYHMHRJTKN-AWEZNQCLSA-N 328.459 1.418 0 40 EDAB O=S(=O)(NCc1nnnn1-c1ccccc1)c1ccccc1F 9571174 IJIFDOWZXRQVBV-UHFFFAOYSA-N 333.348 1.280 0 40 EDAB Cc1cnc(C(=O)N[C@H]2CCc3onc(CN4CCCC4)c3C2)cn1 2055732756 ZBXCBSFVDDQBLL-ZDUSSCGKSA-N 341.415 1.656 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCc3onc(C(=O)NC(C)C)c3C2)no1 2055738617 CEYDQGJRENOBGH-SNVBAGLBSA-N 332.360 1.397 0 40 EDAB CCC(=O)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1 2055772813 HUNDOMZHOFURCC-UHFFFAOYSA-N 332.326 1.289 0 40 EDAB COc1cc(N2CCN(c3ncnc4ccccc34)CC2=O)ccn1 1775973780 SWOVDNANBZBBHO-UHFFFAOYSA-N 335.367 1.887 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccncn3)C2)s1 575611541 ZXFCIPDFXWRFNX-NSHDSACASA-N 325.415 1.689 0 40 EDAB O=C(CCc1ccccc1)N[C@@H]1CCN(c2nccn3cnnc23)C1 575614929 AOUBMRFAVMILBV-OAHLLOKOSA-N 336.399 1.452 0 40 EDAB COC[C@](O)(CNC(=O)c1ccc(C(=O)OC)cc1)c1ccccc1 575605523 AVFQNRKELOYBPL-LJQANCHMSA-N 343.379 1.737 0 40 EDAB CCCN1C(=O)c2cccc3c(S(=O)(=O)NCCCO)ccc1c23 41125153 RHTXWDLKXAZXOQ-UHFFFAOYSA-N 348.424 1.871 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)CN1C(=O)[C@H](C)Oc2ccccc21 31398229 IECYUWODIYNDLX-STQMWFEESA-N 328.372 1.202 0 40 EDAB CC(C)c1cccc(OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 40456827 YURMBIYUIZSPJE-INIZCTEOSA-N 325.430 1.882 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1COc2ccc(Cl)cc2C1 40467905 MNNKBZSMZJZOFF-CMPLNLGQSA-N 329.805 1.194 0 40 EDAB CS[C@@H](C)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 40525084 RSOLBIZEUYZJFO-LBPRGKRZSA-N 332.433 1.062 0 40 EDAB NC(=O)CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 40542713 ODCHVNBMJYICAS-CQSZACIVSA-N 329.400 1.154 0 40 EDAB CCOC(=O)N1CCc2c(sc(N)c2C(=O)N2CCOCC2)C1 100968010 GZPUKNJNJAJBPD-UHFFFAOYSA-N 339.417 1.317 0 40 EDAB CCN1C[C@H](C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1=O 32294571 GYMZBPUKTSHUPT-LLVKDONJSA-N 345.321 1.507 0 40 EDAB O=S(=O)(NCCCN1CCOCC1)C1=Cc2ccccc2CC1 32679016 MCVBQGFLUMPVNT-UHFFFAOYSA-N 336.457 1.615 0 40 EDAB Cc1cc(NC(=O)CNS(=O)(=O)Cc2ccc(F)cc2)no1 41427403 YTHZHDLXUCOLKJ-UHFFFAOYSA-N 327.337 1.180 0 40 EDAB Cc1nn(C)c2sc(C(=O)NCCN3C[C@@H](C)O[C@H](C)C3)cc12 41945142 AGCROOIAPOWQHH-GHMZBOCLSA-N 336.461 1.782 0 40 EDAB Cc1sc2ncnc(N3CCCN(S(C)(=O)=O)CC3)c2c1C 22530413 DFKDSYXQJLPNGY-UHFFFAOYSA-N 340.474 1.780 0 40 EDAB CN(C)c1nc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)ns1 83855402 AFVTZGALCLIJLQ-LLVKDONJSA-N 331.401 1.267 0 40 EDAB COc1ccc(NC(=O)NCCC(=O)N2C[C@@H](C)O[C@H](C)C2)cn1 47524123 IHRLKQVQVTXRKZ-VXGBXAGGSA-N 336.392 1.238 0 40 EDAB CCCS(=O)(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 47579269 SSGSLUXEHHMWHI-UHFFFAOYSA-N 331.482 1.823 0 40 EDAB CN(C)[C@H](CNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccco1 47648110 BIAZSBKEUODPRW-SNVBAGLBSA-N 330.310 1.914 0 40 EDAB C[C@H](NC(=O)NC(=O)CSc1nnc(N)[nH]1)[C@@H]1C[C@H]2CC[C@H]1C2 104001507 BKCOMEGOSLSWHJ-XKNYDFJKSA-N 338.437 1.130 0 40 EDAB CCCc1noc([C@H](C)N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1 78896187 DYJNFTSXQQTPSI-OFQRWUPVSA-N 349.479 1.568 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NCc2cccc(F)c2)[C@H]1c1cnn(C)c1 79359244 XECANHAETOJLQZ-DOTOQJQBSA-N 344.390 1.785 0 40 EDAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(N)=O)c(OC)c1 6230206 GQMUCHIOEPZMTD-MNEFBYGVSA-N 348.443 1.857 0 40 EDAB biogenic COc1ccc(S(=O)(=O)NCC(=O)N2CCC(C)CC2)cc1 6348729 ZVVXVGKLAIQVAV-UHFFFAOYSA-N 326.418 1.232 0 40 EDAB CN1CCN(C(C)(C)CNC(=O)c2cccnc2N2CCCC2)CC1 42541998 KTSFNESSPUFDMP-UHFFFAOYSA-N 345.491 1.438 0 40 EDAB C[C@H](OC(=O)c1cccnc1)C(=O)NCc1ccc2c(c1)OCO2 3286866 SHULRZSSPLCSGN-NSHDSACASA-N 328.324 1.672 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)C1 106766451 NONCZGMEYLLZHA-JCGVRSQUSA-N 344.415 1.353 0 40 EDAB O=C(c1cn(Cc2ccccc2)nn1)N1CCN(c2cnccn2)CC1 25343523 OKURNEWSILFEJS-UHFFFAOYSA-N 349.398 1.079 0 40 EDAB CC(C)N(CC(=O)NC(=O)Nc1ccccc1)Cc1cnn(C)c1 55920691 CRMVOCGDXMQOPS-UHFFFAOYSA-N 329.404 1.979 0 40 EDAB C[C@@H]1CN(CCCNC(=O)CN2CCc3ccccc3C2)C[C@@H](C)O1 25409564 MQFCUOQOVNYIGJ-IAGOWNOFSA-N 345.487 1.660 0 40 EDAB NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1 25451970 OOGUEBSHDRONRW-UHFFFAOYSA-N 326.399 1.276 0 40 EDAB CCN1CCN(C(=O)[C@H](C)Sc2nnc3nc(C)cc(C)n23)CC1 25777296 RYNOTBLUOZWTFM-ZDUSSCGKSA-N 348.476 1.386 0 40 EDAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCCC(C)C)[C@@H]4C2=O)no1 101450468 KLFYJWOZWHIGPW-PXMRGAAZSA-N 345.399 1.432 0 40 EDAB O=C([C@@H]1CCCN(c2cnc3ccccc3n2)C1)N1CCOCC1 26141399 BLEXSXHOXPDEFH-CQSZACIVSA-N 326.400 1.705 0 40 EDAB CC[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccs1 57242486 LWZIVWRQTWXPAP-LBPRGKRZSA-N 345.490 1.922 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc2ccccc2n1 108055697 IZDFXCAKFKLZKP-RPLLJCPNSA-N 347.374 1.980 0 40 EDAB O=C(Nc1ccnc2ccnn12)[C@H]1CCCCN1C(=O)[C@H]1CCCO1 108714760 CBPZFQGUMOOHBX-CHWSQXEVSA-N 343.387 1.228 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)Cn1cccc(C(F)(F)F)c1=O 27064405 PHHPZDGERLXSBV-UHFFFAOYSA-N 347.337 1.240 0 40 EDAB CN(C)C(=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 44508740 XFRNXWGTBRIUMT-UHFFFAOYSA-N 344.392 1.733 0 40 EDAB COc1ccccc1COC[C@H](O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102891027 VZMRGJQRKIUMBD-PMPSAXMXSA-N 345.395 1.524 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 10092432 UGGRZERZMGUNGQ-CQSZACIVSA-N 348.366 1.942 0 40 EDAB CCN(CC(=O)NC(=O)NC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 58289829 UYJHGQRMIRMHOU-GOEBONIOSA-N 332.448 1.599 0 40 EDAB CS(=O)(=O)NCCC(=O)N(CCc1ccccc1)C1CCCC1 58392290 LPCBUDBTDUTLNF-UHFFFAOYSA-N 338.473 1.940 0 40 EDAB C[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCOCC1)n1cccn1 45053853 IKUMOZBDUIDDHH-KBPBESRZSA-N 334.445 1.695 0 40 EDAB CN(C)C(=O)CN1CCN(Cc2nc3cc(Cl)ccc3n2C)CC1 48356371 KLLQHWCAOSHLPW-UHFFFAOYSA-N 349.866 1.433 0 40 EDAB CN(Cc1ccco1)C(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 45536514 LHJHUXZNKVSRPD-HOCLYGCPSA-N 337.420 1.158 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(CN2CCOC2=O)c1 48343855 CXQMDJOHUCWTEB-IUODEOHRSA-N 345.399 1.740 0 40 EDAB COCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@H](C)C4 2432470 JONJFWWGBUOSQU-VIFPVBQESA-N 345.428 1.840 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(C(=O)N2CCc3ccccc32)CC1 59760213 DPCFVOAMQFUSPN-QGZVFWFLSA-N 328.412 1.993 0 40 EDAB Cn1ncc2c(NC[C@@H](c3ccccc3)N3CCOCC3)ncnc21 29526018 UPKUKZNVVFVDRT-INIZCTEOSA-N 338.415 1.849 0 40 EDAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(C(N)=O)cn2)cc1 95398109 XSFPJEDOELNGCQ-CQSZACIVSA-N 343.339 1.135 0 40 EDAB C[C@]1(c2cccc(NC(=O)Cc3ccccc3O)c2)NC(=O)NC1=O 95393771 ZSLXJHPIRKOORY-GOSISDBHSA-N 339.351 1.628 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCNCc2ccc(F)c(F)c2)C[C@H](C)O1 48783353 MDPVYGOXVZSKMJ-RYUDHWBXSA-N 348.415 1.493 0 40 EDAB COc1ccc(OC)c(CCC(=O)N2CCC(CC(N)=O)CC2)c1 49394777 PWHXNAKKAUGIHW-UHFFFAOYSA-N 334.416 1.750 0 40 EDAB CCOC(=O)NC12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2 4114143 MPHRYCFTYHKDSR-OOZWNVLFSA-N 342.189 1.113 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3ccc(C)cc3)C2=O)C1 5053491 UTWQHFAMOCKQLN-INIZCTEOSA-N 344.327 1.303 0 40 EDAB CN1CCC[C@H]1CCN1CCC(Oc2ccnc(C(N)=O)c2)CC1 93261492 JHNGRYPGAMQTQJ-AWEZNQCLSA-N 332.448 1.508 0 40 EDAB CCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 408911213 MFNJOVZHJDWCAU-UHFFFAOYSA-N 325.217 1.896 0 40 EDAB CC1=NN(C(=O)c2ccn(Cn3cccn3)n2)[C@](O)(C(F)(F)F)C1 6394537 ALAHSSJEXOHMPR-GFCCVEGCSA-N 342.281 1.058 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)C1 14065876 XMTSCLURFIGDNY-OWCLPIDISA-N 331.464 1.492 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)cc1 65609549 VWNLQDGQQVEHDZ-AWEZNQCLSA-N 333.413 1.764 0 40 EDAB CCOc1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)cc1 5451405 XZUYDIHVMLMPRL-UHFFFAOYSA-N 345.384 1.862 0 40 EDAB O=C(COC(=O)c1cccc(Br)c1)NC[C@H]1CCCO1 5505393 ZBGKUCWFOKOKKV-GFCCVEGCSA-N 342.189 1.901 0 40 EDAB CCCOc1ccc(N2C(=O)C[C@H](NC[C@@H]3CCCO3)C2=O)cc1 19798324 OIAOBFQEZWKYEY-HOTGVXAUSA-N 332.400 1.876 0 40 EDAB COc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)cc1 6679532 FPHCGRSHYDNMCP-UHFFFAOYSA-N 345.380 1.409 0 40 EDAB CSC[C@@H](C)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 66824889 GOYYZNWOUWGWMF-SECBINFHSA-N 329.447 1.190 0 40 EDAB CN(C)C(=O)CN(C)S(=O)(=O)c1ccccc1Br 7309392 SZJYVXNLMIMAGE-UHFFFAOYSA-N 335.223 1.158 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCCC1 7985184 UGPUWVJTZPHTQS-MRXNPFEDSA-N 332.400 1.607 0 40 EDAB COc1ccc(CNC(=O)COc2ccc(CO)cc2)cc1OC 16680372 OVXIFBZMTLPNGP-UHFFFAOYSA-N 331.368 1.891 0 40 EDAB CC(=O)N1CCN(CCNC(=O)Cc2c[nH]c3cc(C)ccc23)CC1 69348672 YLEKYNPNFOJXJR-UHFFFAOYSA-N 342.443 1.299 0 40 EDAB CC1CCC(NS(=O)(=O)CC(=O)N[C@H](C)[C@H]2CCCO2)CC1 69439472 BPXKBHDHSNHYHI-FKZOYECMSA-N 332.466 1.168 0 40 EDAB OCCN(Cc1ccccc1)C[C@@H](O)c1ccc2c(c1)OCCO2 69488783 SRKUOAZYJXEJMS-QGZVFWFLSA-N 329.396 1.986 0 40 EDAB Cc1cc(C)cc(C2(C(=O)N3CCCN(CC(N)=O)CC3)CC2)c1 71829271 NIKKWWLQFBQYKU-UHFFFAOYSA-N 329.444 1.355 0 40 EDAB CC(=O)NCC(=O)NCC(=O)NC1(c2cccc(C)c2)CCCC1 69530260 MYGCPAQCCZTCQQ-UHFFFAOYSA-N 331.416 1.133 0 40 EDAB O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)c1cccs1 69563999 ZKWKTAQQFPMZIG-UHFFFAOYSA-N 333.417 1.995 0 40 EDAB O=C(NC1CC1)[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 69571671 KCEUPTQSBSJZQX-ZBFHGGJFSA-N 329.379 1.342 0 40 EDAB Cc1nnc(NC(=O)CN2CCc3c(nc(C(C)C)n3C)C2)s1 69521257 GTCCJDBNXYMSHG-UHFFFAOYSA-N 334.449 1.700 0 40 EDAB Cc1ncc2c(n1)CN(Cc1nnnn1-c1c(C)cccc1C)CC2 69571184 MJQPSQPHRGOEHV-UHFFFAOYSA-N 335.415 1.936 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)C(C)(C)c2ccccc2)CC1 71881894 NFIYVSPQEAYICS-KRWDZBQOSA-N 334.460 1.506 0 40 EDAB O=C(NCCCN1C(=O)CCC1=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 71879672 APDKGOSOACSPFY-GHMZBOCLSA-N 349.353 1.946 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCO1 9853960 IWHXWHOMTSORGC-ZDUSSCGKSA-N 338.429 1.332 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)c2ccc(=O)n(CCOC)c2)no1 72299106 RZIYPMCPKDHJKM-CYBMUJFWSA-N 346.387 1.417 0 40 EDAB O=C(CCc1ccc(F)c(F)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269617 DDDYENDPVADSTP-IRXDYDNUSA-N 338.398 1.955 0 40 EDAB Cc1cc(C)cc(C2(C(=O)N3CC[C@@]4(C3)NC(=O)NC4=O)CCC2)c1 72290706 YOSSRTXYUCQDNC-IBGZPJMESA-N 341.411 1.536 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC[C@H](n2cncn2)C1)N1C[C@@H](C)O[C@H](C)C1 72234981 WRMYKWWXWKNIPB-NCOADZHNSA-N 349.479 1.575 0 40 EDAB Cc1ncsc1C(=O)Nc1ccccc1-n1ccc(C(N)=O)n1 72283522 YLSMLGKAQJHVOU-UHFFFAOYSA-N 327.369 1.988 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2ccc(C(N)=O)cn2)n1 72279971 VRXBYGUFMGLJDR-HNNXBMFYSA-N 341.415 1.689 0 40 EDAB O=S(=O)(NC1CCCC1)[C@@H]1CCCN(c2nc(C3CC3)no2)C1 97109538 LBQNQPKPBKUZQA-CYBMUJFWSA-N 340.449 1.778 0 40 EDAB Cc1noc([C@H]2COCCN2Cc2cc(=O)n3ccsc3n2)n1 97373607 DUXYGFXXVQINAP-LLVKDONJSA-N 333.373 1.021 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)on1 95446061 XKMFBKOQDCKKAS-UHFFFAOYSA-N 325.372 1.817 0 40 EDAB CCC(O)(CC)CNS(=O)(=O)c1ccc(Br)cn1 95432951 AGHJAACPVSFAPY-UHFFFAOYSA-N 337.239 1.674 0 40 EDAB CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2ccc3c(c2)CCCC3)O1 95460100 FKGQUHGHGNZZRF-SJORKVTESA-N 330.428 1.931 0 40 EDAB COCC(=O)Nc1ccc(NC(=O)NC[C@H]2CCCN(C)C2)cc1 95953695 WEQNUTFITZTNNL-CYBMUJFWSA-N 334.420 1.735 0 40 EDAB CC(C)=C[C@@H]1[C@H](C(=O)OC[C@@H]2CNC(c3ncccn3)=NO2)C1(C)C 85983648 FSRXUASZJXZGLN-BFHYXJOUSA-N 344.415 1.908 0 40 EDAB CN(C(=O)NC[C@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 89335150 BJJBEPJOZNHYIK-HUUCEWRRSA-N 336.457 1.935 0 40 EDAB CCc1n[nH]c(S(=O)(=O)[C@@H](C)C(=O)NCC2CCCCC2)n1 86170639 HCIYABJNPMSMTL-JTQLQIEISA-N 328.438 1.226 0 40 EDAB C[C@@H](N[C@@H]1CCc2ncnn2C1)C(=O)N1CCc2ccccc2C1 75132905 SLMXYIYSVRJNMM-CZUORRHYSA-N 325.416 1.156 0 40 EDAB CNS(=O)(=O)c1ccc(N2CCC[C@@H](c3nc(C)no3)C2)cc1 1548442519 AGAYXHWMAUXHQN-GFCCVEGCSA-N 336.417 1.670 0 40 EDAB O=C(CSCc1cccnc1)N[C@@H]1Cc2cccnc2NC1=O 1548800309 CNJLONHLDGPJOU-CYBMUJFWSA-N 328.397 1.389 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 217555379 FYWJIPMETPLHLT-UHFFFAOYSA-N 342.417 1.156 0 40 EDAB CS(=O)(=O)Nc1cccc(C(=O)OCc2nnsc2Cl)c1 21667295 YEOBYVJUXWTWRM-UHFFFAOYSA-N 347.805 1.920 0 40 EDAB COCCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 78984461 DICZIDXDHBDHNP-NSHDSACASA-N 342.237 1.973 0 40 EDAB COc1cnc(NC(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)s1 558421536 HYRVOXOIBCBZSY-QWRGUYRKSA-N 337.405 1.125 0 40 EDAB Cc1cc(N2CCC[C@@](C)(c3[nH]ncc3C(=O)N(C)C)C2)nc(N)n1 72388789 QUTPDDOKDFRDDQ-QGZVFWFLSA-N 343.435 1.350 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)CN 218204538 LMFHWQNFCAIFMR-UTUOFQBUSA-N 333.251 1.006 0 40 EDAB C[C@@H]1CCn2ncc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c2C1 565540404 UEGXYPIEBJHARG-IUODEOHRSA-N 327.384 1.891 0 40 EDAB COc1ccc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)c(OC)c1 32104527 ILVRPHYDSGGUID-MRXNPFEDSA-N 339.355 1.918 0 40 EDAB COC(=O)c1n[nH]cc1CN1CCC[C@H](C(=O)c2nccn2C)C1 77303704 KKBNXFQXOQNSCV-NSHDSACASA-N 331.376 1.025 0 40 EDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)/C=C\c1ccccc1 71980050 CIVYHIHMVGPZMZ-ZPIQOJFGSA-N 330.384 1.434 0 40 EDAB C[C@H]1CN(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C[C@@H](C)O1 46237732 HJLLRWIZYNEJAF-OWCLPIDISA-N 345.443 1.265 0 40 EDAB Cc1ccc([C@@H](O)CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)o1 49026831 RINKFJUDMBVQLX-WFASDCNBSA-N 346.358 1.930 0 40 EDAB Cc1ccsc1[C@H](O)CNC(=O)Cn1c(=O)oc2ccccc21 75155242 VDPNKDNJHULBHJ-GFCCVEGCSA-N 332.381 1.814 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@@H](O)c2cccn2C)cc1F 75155125 AFFXJMVAMXKATA-CQSZACIVSA-N 342.392 1.575 0 40 EDAB Cn1ccc(NC(=O)Cn2cc(COc3ccc(F)cc3)nn2)n1 227161137 OILIAPLANRCUMC-UHFFFAOYSA-N 330.323 1.368 0 40 EDAB Cn1cccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1=O 81721859 MUSCTUVGHHZZPJ-UHFFFAOYSA-N 344.762 1.331 0 40 EDAB CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 226859928 YTMZYJLSVHEPEC-UHFFFAOYSA-N 344.348 1.574 0 40 EDAB Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)nnn1C 572222246 ASRBWEFQSWKEPH-VIFPVBQESA-N 335.314 1.393 0 40 EDAB CCCc1nc(CN2CCN(C(=O)Cc3ccccn3)CC2)no1 195568758 YIGXKNHDDXIEJS-UHFFFAOYSA-N 329.404 1.304 0 40 EDAB CCc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1 224341842 YAPWYWGJKJFPHO-UHFFFAOYSA-N 349.460 1.972 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3cc4cc(Cl)ccn4n3)CCO2)n1 225805163 LALULQHGFZNKMB-ZDUSSCGKSA-N 346.778 1.628 0 40 EDAB Cn1cc(-c2noc(CNS(=O)(=O)c3ccccc3F)n2)cn1 575617577 UWOYPSCASCPCRP-UHFFFAOYSA-N 337.336 1.088 0 40 EDAB O=C(c1cc(N2CCOCC2)on1)N1CCN(c2ccccc2)CC1 224078938 YGZJWDKWWOOELL-UHFFFAOYSA-N 342.399 1.474 0 40 EDAB Cn1cc([C@H]2CC(=O)NC23CCN(C(=O)c2ccncc2)CC3)cn1 96199794 DCHGGVBHGJRQSZ-OAHLLOKOSA-N 339.399 1.094 0 40 EDAB O=C(Nc1cccnc1)C1=NO[C@@]2(CCN(C[C@@H]3CCOC3)C2)C1 96226049 ZGWPTGIBBKPYNH-GUYCJALGSA-N 330.388 1.277 0 40 EDAB Cc1c(CNS(=O)(=O)c2ccc(OCC(F)F)cc2)cnn1C 96502200 NVGHSFSQNSNAEN-UHFFFAOYSA-N 345.371 1.851 0 40 EDAB COC(=O)[C@H](O)C1CCN(Cc2nccn2Cc2ccccc2)CC1 95432411 IOJXZROSDYFLDT-GOSISDBHSA-N 343.427 1.677 0 40 EDAB Cn1cc(C(=O)NCC2CCN(CCc3ccncc3)CC2)cn1 96414868 MOPJTNCPEJJMKW-UHFFFAOYSA-N 327.432 1.500 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)CC(C)C)CC2)[C@@]2(CCN(C)C2=O)C1 96262613 JMEKWKDZNXZWQQ-IBGZPJMESA-N 349.475 1.352 0 40 EDAB CC1CCN(C[C@H](O)CN(C)S(=O)(=O)c2ccc(F)cc2)CC1 96484743 YQCLYCDEZJMPSO-OAHLLOKOSA-N 344.452 1.539 0 40 EDAB c1cncc(CN2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)c1 96052076 UEPOILGZIKXSFL-QZTJIDSGSA-N 328.416 1.586 0 40 EDAB CN(Cc1cncnc1)[C@@H]1CN(C2CCOCC2)C[C@@H]2CCCO[C@@H]21 96065201 WLNYASWENXNMJL-UHOSZYNNSA-N 346.475 1.567 0 40 EDAB O=C(c1ccncn1)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CCO2)C1 96215444 JDXKZOBRQRXKBY-SUMWQHHRSA-N 340.387 1.142 0 40 EDAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCc1cccc(-n2cncn2)c1 96421596 RHHDARTVAOWVPW-OAGGEKHMSA-N 341.415 1.880 0 40 EDAB O=C(NCCC1CC1)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96192200 INLOLZKPDCHVTQ-LLVKDONJSA-N 344.337 1.715 0 40 EDAB CCCCS(=O)(=O)N1C[C@H]2CC[C@@]3(N=C(CC)N(C)C3=O)[C@H]2C1 96261596 KMCAHXAQTISZIX-DVOMOZLQSA-N 341.477 1.477 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1=O 96223942 GSLXFRCQKFLNMB-LJQANCHMSA-N 345.443 1.857 0 40 EDAB CN(C)[C@H](CNC(=O)CCS(C)(=O)=O)c1c(F)cccc1F 96406920 FTIVMKHSGVMRTD-GFCCVEGCSA-N 334.388 1.118 0 40 EDAB Cc1ccc(O)c(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)n1 93142335 GREFQJSQWSNABJ-UHFFFAOYSA-N 346.475 1.472 0 40 EDAB Fc1ccc(Cn2cnc([C@H]3COCCN3)n2)cc1Br 580887711 IMTOPPPWOQIWTB-GFCCVEGCSA-N 341.184 1.889 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)CN2CCCC2=O)cc1 583616071 JEDKIVWEJKWPGW-LPHOPBHVSA-N 346.427 1.516 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccccn1 96041820 KOZOCLDDSGNINH-GVDBMIGSSA-N 340.383 1.460 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)[C@@H]1Cc3ccccc3C(=O)O1)CC2 97198576 NSGQRUVXQKJDKP-JSGCOSHPSA-N 340.383 1.053 0 40 EDAB CN(C[C@H](O)COCc1ccco1)[C@@H]1CCCN(c2cccnn2)C1 69870663 RZQZHASEGPHQJK-CVEARBPZSA-N 346.431 1.548 0 40 EDAB O=C(N[C@H]1CN(Cc2ccco2)[C@@H]2CCCO[C@H]12)c1cnccn1 96186907 ICSZXDNNVFBVFM-ARFHVFGLSA-N 328.372 1.231 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2ccnn21 247951248 LWZMRKJKAISVPR-AWEZNQCLSA-N 338.367 1.963 0 40 EDAB CC[C@]1(C(=O)OC)N[C@H](c2cccc(F)c2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230151 MNQANYLTQZFWNZ-JRATXPSKSA-N 334.347 1.023 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2S(=O)(=O)Cc2ccccc2)n1 257296621 RDOYCAJVAWFOKK-OAHLLOKOSA-N 349.412 1.394 0 40 EDAB Cc1cc(NCCC[C@H]2C=NNC2=O)n2nc(C(F)(F)F)nc2n1 585092726 LDHORZKLPOODDV-QMMMGPOBSA-N 341.297 1.375 0 40 EDAB Cc1noc(C2CN(C(=O)c3cc([C@H]4CCCN4C)ccn3)C2)n1 257204039 ASUFMZMABJKLST-OAHLLOKOSA-N 327.388 1.779 0 40 EDAB C[C@@H](OC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O 26418878 MFZGBRBBXOVNLG-OWOQWNNFSA-N 348.443 1.611 0 40 EDAB CC(C)Nc1cc(C[C@H]2CCCN(S(C)(=O)=O)CC2)ncn1 257257448 KPOVXDICPQYOTA-ZDUSSCGKSA-N 326.466 1.901 0 40 EDAB COc1ccc(CN2CC[C@H]2C(=O)NCc2cnn(C)c2C)cc1 585132559 ZSFFQHJOZVIVCD-KRWDZBQOSA-N 328.416 1.628 0 40 EDAB CC(=O)N1C[C@@H]2CN(C(=O)NC3CCCCC3)CCN2C(C)(C)C1 253402787 OTFNPJGFXVIGIH-INIZCTEOSA-N 336.480 1.656 0 40 EDAB biogenic,in-vitro CCCNS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)n1ccnc1 585115304 VKQMTESJINQTFA-AWEZNQCLSA-N 342.852 1.960 0 40 EDAB CN1c2ccccc2N(CCNC(=O)Cc2ccccc2)S1(=O)=O 253472853 QCPXJEVITPRRLH-UHFFFAOYSA-N 345.424 1.547 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3[nH]ncc3C)C2)c1C 257315804 VCVLDORQHLCVAX-CYBMUJFWSA-N 337.449 1.811 0 40 EDAB Cn1c(-c2ccccn2)nn(CCNC(=O)c2ccsc2)c1=O 85470713 UNQUXCUMGMTMAX-UHFFFAOYSA-N 329.385 1.135 0 40 EDAB Cc1cncc(C2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)n1 257338789 YYZLRQWORYTTSU-UHFFFAOYSA-N 335.433 1.395 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)cc1 257274798 NMRUCRQBKYVCSO-MRXNPFEDSA-N 333.413 1.856 0 40 EDAB O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)C(=O)NC1CCCC1 85561054 UBDUPRUVGDDQTK-CYBMUJFWSA-N 334.372 1.014 0 40 EDAB COc1cc(C(=O)O)ccc1NC(=O)CS(=O)(=O)C1CCCC1 262993509 QMVFDLPXZJDNNX-UHFFFAOYSA-N 341.385 1.689 0 40 EDAB CC1(C2CCN(c3nnnn3[C@@H]3CO[C@@H](C4CC4)C3)CC2)OCCO1 1616031888 FMFBHLFMZKVHAY-LSDHHAIUSA-N 349.435 1.393 0 40 EDAB C[C@H]1CN(Cc2ccccc2NC(=O)N2CC=C(N)N2)C[C@@H](C)O1 1615002052 ZZSHYUCCYFEZSL-BETUJISGSA-N 331.420 1.448 0 40 EDAB Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@H]2CN2CCCCC2)no1 585094595 DICRVLWIEWRVDX-AWEZNQCLSA-N 343.431 1.770 0 40 EDAB CCS(=O)(=O)NCC[C@H]1CCOC12CN(Cc1ccccc1)C2 585103057 OPAJSRCJMNDTRP-INIZCTEOSA-N 338.473 1.607 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1C[C@H]2CCN(C(=O)C3CC(F)C3)C[C@@H]2O1 585108885 BUCUTEOTPDNPGZ-JKZOPUQSSA-N 348.378 1.169 0 40 EDAB NC(=O)[C@@H]1CC(C(=O)NCCc2ccco2)=NN1c1ccccc1 65522196 IANUQKYDDKAWRY-HNNXBMFYSA-N 326.356 1.059 0 40 EDAB Cc1c(NC(=O)NC[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 69452251 BEGUVMHLNVTVHC-CQSZACIVSA-N 330.388 1.785 0 40 EDAB CC(=O)N(CCC(=O)N[C@H](C)Cn1ccnc1)Cc1ccccc1 69567313 NBSKBMISUQPEEW-OAHLLOKOSA-N 328.416 1.827 0 40 EDAB Cn1cc(CNC(=O)NCCc2nnc(-c3ccccc3)o2)cn1 95431847 YNELYFMBSSVUQZ-UHFFFAOYSA-N 326.360 1.512 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 42533268 NMKYZVOHZNXYBX-BBRMVZONSA-N 342.399 1.819 0 40 EDAB O=C(CN1CCC[C@H]1Cn1ccnn1)NC1C2CC3CC(C2)CC1C3 551921741 JIWPAPJBGGGGDB-MGMWPHTOSA-N 343.475 1.683 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)N1CCC2(CC1)NC(=O)NC2=O 97600748 YQHFJTXLYFZXFY-UHFFFAOYSA-N 326.356 1.291 0 40 EDAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)Nc2ccccc2)CC1 585322476 OQRRNNYVBQWZEM-UHFFFAOYSA-N 348.428 1.890 0 40 EDAB O=C(NC1CCOCC1)N1CCN(c2ccc(C3CC3)nn2)CC1 585414302 QUKDXRAFZPWPAK-UHFFFAOYSA-N 331.420 1.365 0 40 EDAB COc1ccc([C@H](O)[C@@H]2OC(=O)c3c2cccc(=O)c3O)cc1OC 5640356 ZITKCDKHIPHJKU-DOTOQJQBSA-N 344.319 1.715 0 40 EDAB CNC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)CC(=O)c1cc(C)ccc1O2 12086718 NJONWAYDCBHDNO-DJJJIMSYSA-N 344.411 1.846 0 40 EDAB CC(C)n1nc2c(cc1=O)CN(C(=O)c1ccc3c(c1)OCO3)CC2 12121040 TYCLOJQSYHGZJR-UHFFFAOYSA-N 341.367 1.751 0 40 EDAB COc1ccccc1-c1ccc(N2CCN(S(C)(=O)=O)CC2)nn1 13663733 UWAQXCRBRZZDDW-UHFFFAOYSA-N 348.428 1.234 0 40 EDAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N2CCOCC2)cc1 13685075 IFDGOEYBKUBECO-OAHLLOKOSA-N 347.440 1.347 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1[C@H]2CCCC[C@@H]12 19591963 GSNJVWUYLRHUCU-MZBDJJRSSA-N 334.441 1.920 0 40 EDAB CC1(C)C[C@]2(CCCN2C(=O)/C=C/c2ccncc2)[C@H](CC(N)=O)O1 643586059 VGGYXWWGHIFAOL-IHMJFIQFSA-N 343.427 1.899 0 40 EDAB Cc1nnc2c(N3CCN(C(=O)NC4CCCCC4)CC3)nccn12 238945448 WJOSFFTUDOSPNG-UHFFFAOYSA-N 343.435 1.597 0 40 EDAB CC(C)CN1C(=O)C(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O 3454160 WQYFEYSRCFHHBR-UHFFFAOYSA-N 327.340 1.797 0 40 EDAB Cn1c(Sc2nnnn2-c2ccccc2)nnc1C(F)(F)F 3449596 AQQQGLFIERLLOQ-UHFFFAOYSA-N 327.295 1.961 0 40 EDAB O=C([C@@H]1CN(c2ccnc(C(F)(F)F)c2)CCO1)N1CCOCC1 1889096198 DIHLRXMQZVICJG-LBPRGKRZSA-N 345.321 1.164 0 40 EDAB CC(C)C[C@H](C(=O)N1CCOCC1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 238900549 JMPKMGUKLHYPQY-AALSBFMBSA-N 346.427 1.067 0 40 EDAB Cc1cccnc1CN[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055731810 ZMTRIXGNBISPCI-LSDHHAIUSA-N 342.443 1.592 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2ccccc2F)C1 2055772189 FQSAOBGRRBGMJQ-SFHVURJKSA-N 344.390 1.329 0 40 EDAB COc1ncccc1C(=O)NCCCc1cnc2cc(C)nn2c1 206822320 VXKDBAWLVQZCKG-UHFFFAOYSA-N 325.372 1.804 0 40 EDAB O=C(CN1C(=O)CCC1=O)Nc1c2c(nn1-c1ccccc1)CCC2 36704283 ZAMYFUFADDRNMX-UHFFFAOYSA-N 338.367 1.449 0 40 EDAB Cn1cc(-c2noc(CNc3ncnc4ccc(F)cc34)n2)cn1 575615021 BHZBCRQGUGJOTR-UHFFFAOYSA-N 325.307 2.165 0 40 EDAB COCc1nsc(N2CCC(C(=O)N3CCSCC3)CC2)n1 2298189113 UTNLSINPJIKOJN-UHFFFAOYSA-N 342.490 1.476 0 40 EDAB CC(C)COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 488755 DEWNEODYXYEWOS-LDDOYCOJSA-N 331.368 1.761 0 40 EDAB biogenic COC(=O)Cn1cnc2sc(C(=O)OCC(C)C)c(C)c2c1=O 150449 CPOVAWNVTNPVCQ-UHFFFAOYSA-N 338.385 1.752 0 40 EDAB Cc1cc(C)n2ncc(-c3noc(C(=O)NCc4cccnc4)n3)c2n1 31820618 IJXJHYPCTPOFBM-UHFFFAOYSA-N 349.354 1.721 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 52135471 LRPULOMKFDOJOO-UHFFFAOYSA-N 331.825 1.839 0 40 EDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2ccccc2)CC1 102267367 MCCXVUWYFIUJQI-CALCHBBNSA-N 325.412 1.717 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)c2cnn(-c3ccccc3)n2)C1 32841662 CDCLYMYWADGMCA-INIZCTEOSA-N 343.431 1.354 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 47175447 NMPNPHWSRYJENG-MRXNPFEDSA-N 327.384 1.924 0 40 EDAB NS(=O)(=O)c1cc(C(=O)O)c(NCc2cccnc2)cc1Cl 12374823 VNJMWCGTFGSIMT-UHFFFAOYSA-N 341.776 1.693 0 40 EDAB Cc1c([C@@H](C)NC(=O)Cn2cnc3ccccc3c2=O)cnn1C 47491193 VYGXRXLQCAGLMT-LLVKDONJSA-N 325.372 1.316 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC(c2cnn(C)c2)CC1 104173351 DVOBFWNDPCOJDV-CAPFRKAQSA-N 330.436 1.267 0 40 EDAB COc1cccc(CN(C)[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)c1 42295844 RGFVVOGLUCMTNM-HIFRSBDPSA-N 333.432 1.239 0 40 EDAB COc1cc(C)ccc1OCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 78895892 RDQIJVZKSSCBOM-JKSUJKDBSA-N 348.443 1.562 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1cn2cc(Cl)ccc2n1 22934258 CUGDPCUOAPXASI-CQSZACIVSA-N 336.804 1.915 0 40 EDAB Cc1cc(C)n(C(=O)Cn2cc(I)cn2)n1 1431344 HWRIQDUYCOQDGB-UHFFFAOYSA-N 330.129 1.641 0 40 EDAB CS(=O)(=O)NCCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 79043439 JMVMPIVJWKPGDI-NEPJUHHUSA-N 332.372 1.124 0 40 EDAB CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)C)cc21 4965793 RXHXVAKQHNGGCB-UHFFFAOYSA-N 348.399 1.892 0 40 EDAB O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1 4981777 STOBFMTYSQXKQA-UHFFFAOYSA-N 346.350 1.616 0 40 EDAB CN1C(=O)C2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N(C)C1=S 6671779 QJCNBOOKVSRSML-CYBMUJFWSA-N 329.425 1.413 0 40 EDAB CN(C)CC(C)(C)CNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C 71186285 PYSWHHDTZFLSMT-LBPRGKRZSA-N 329.510 1.638 0 40 EDAB COc1ccc(C)cc1NC(=O)CCC(=O)N1CCN(C(C)=O)CC1 7667370 TZRJDAAMUJVNOP-UHFFFAOYSA-N 347.415 1.413 0 40 EDAB Cc1nc(CN2CCC[C@H](N(C)CCCN3CCCC3=O)C2)no1 72234579 LYZQPRIJBDRPLE-HNNXBMFYSA-N 335.452 1.287 0 40 EDAB Cc1cccc2nc(C(=O)N3CCN(C(=O)c4ccoc4)CC3)cn12 25234054 VRNKHQQPTDNLEO-UHFFFAOYSA-N 338.367 1.834 0 40 EDAB O=C(c1ccoc1)N1CCN(C(=O)c2cnc3ccccc3n2)CC1 25236335 XEJXNPUSZWFIMJ-UHFFFAOYSA-N 336.351 1.821 0 40 EDAB COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCNC(=O)C2)c1 34858795 CJJIKMZBCPHUAA-SFHVURJKSA-N 339.395 1.807 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1 48009635 KBAYULSHAPJPIY-GFCCVEGCSA-N 337.401 1.427 0 40 EDAB CCCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1cnn(C)c1 25303930 KGXOOQUXITVLNQ-UHFFFAOYSA-N 335.429 1.876 0 40 EDAB CC(C)c1nc([C@@H]2CCCN(C(=O)CN3CSCC3=O)C2)no1 72232207 HJANWZJNRWGIOP-LLVKDONJSA-N 338.433 1.432 0 40 EDAB Cc1ccnc2nc(C(=O)N3CCN([C@H]4C[C@H]5CC[C@H]4C5)CC3)nn12 107509503 WTPNKHQGZFVHSL-KKUMJFAQSA-N 340.431 1.379 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)CCn2nc(O)c3ccccc3c2=O)C1 25377510 FRCQCSRTLSOPIM-CHWSQXEVSA-N 329.400 1.997 0 40 EDAB Cc1noc([C@@H](C)N2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)n1 84281590 RMGPIHQYRIAOGO-RISCZKNCSA-N 345.451 1.651 0 40 EDAB COc1ccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 27270732 HHWHEABFBWVMGC-UHFFFAOYSA-N 340.383 1.208 0 40 EDAB Cn1c(S)nnc1CCNC(=O)c1cc(F)c(F)c(F)c1F 109055114 MBWPEBQVIZVCJA-UHFFFAOYSA-N 334.298 1.633 0 40 EDAB Cc1noc(CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1 27453905 NSAJEZNSMXSCSM-UHFFFAOYSA-N 330.388 1.467 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)C(C)C)cc1 23714442 IBDBRWSLZYBMMZ-LBPRGKRZSA-N 328.434 1.476 0 40 EDAB CCOC(=O)NCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C 58179579 CHAOYQBDQMPZIM-UHFFFAOYSA-N 334.420 1.431 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccn(C)n2)C1=O 44872994 KTJAYPLWMOIJDP-QGZVFWFLSA-N 341.371 1.216 0 40 EDAB Cc1ccc([C@H](C)NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)o1 44869463 IVOALHFIIOMQFO-NSHDSACASA-N 335.385 1.263 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)NCCN2CCCc3ccccc32)o1 58231634 SZESAEXXSUGFGH-UHFFFAOYSA-N 349.412 1.110 0 40 EDAB O=C(CN1CCN(C(=O)C2CCCCC2)CC1)Nc1nncs1 58201356 QJQLNSZCXBAJNE-UHFFFAOYSA-N 337.449 1.201 0 40 EDAB COC(=O)c1ncn(CN2CCO[C@H](c3ccc(Cl)cc3)C2)n1 58267625 VDVBSUMBOMEODG-ZDUSSCGKSA-N 336.779 1.749 0 40 EDAB C[C@H](NC(=O)COC[C@@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2 84651730 OBMIZAMFXADNKC-WFASDCNBSA-N 332.400 1.944 0 40 EDAB CCO[C@@H](C)C(=O)N1CCC(NC(=O)c2scnc2C)CC1 58312755 NFSLPKISRAANPZ-NSHDSACASA-N 325.434 1.597 0 40 EDAB OCCn1nccc1C1CCN(C[C@H](O)c2cccc(F)c2)CC1 58343353 YQHJBIZXBPCORB-SFHVURJKSA-N 333.407 1.928 0 40 EDAB CCN(CC)c1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cn1 58368787 ULAGADDAZCUFJP-HNNXBMFYSA-N 325.434 1.235 0 40 EDAB CC[C@@H](C)C(=O)NCC(=O)N1CCC(C(=O)N2CCCCC2)CC1 58406351 KUFLAFRRIKJUOW-CQSZACIVSA-N 337.464 1.400 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCCN1CCCC1 100217169 PRDMVUACVHYQFM-YZVOILCLSA-N 341.411 1.286 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)Cc1ccc2c(c1)OCCO2 48344819 VBEILAIEGSBMKU-UHFFFAOYSA-N 328.372 1.197 0 40 EDAB COCCN1CC[C@@H]2OCCC[C@@]2(COCC2CCOCC2)C1 107712141 WFMTUJDXUASOOA-ROUUACIJSA-N 327.465 1.947 0 40 EDAB CCS(=O)(=O)N1[C@@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 100119119 VPJMTPZFNYFBTI-VXGBXAGGSA-N 333.413 1.135 0 40 EDAB COC(=O)C1=C(C(=O)OC)[C@]2(C)O[C@]1(C)[C@H]1[C@H]2[C@]2(C)C=C[C@]1(C)O2 104044054 KTHANJVAENJFAJ-BYVJPDMBSA-N 334.368 1.540 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 104850940 OPDLGRLTSKKLMS-YTFOTSKYSA-N 329.352 1.321 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2CCC(N3CCNC3=O)CC2)c(C)c1 51449943 XPXJKIHAPLRJLN-KRWDZBQOSA-N 347.459 1.533 0 40 EDAB CC(C)c1noc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)n1 29135729 VVVQAWHCZIQWMZ-KRWDZBQOSA-N 342.355 1.923 0 40 EDAB COc1cccc(CNC(=O)COc2c(OC)cccc2C(N)=O)c1 22320181 CKLVCNNGBADOFT-UHFFFAOYSA-N 344.367 1.498 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC(C(=O)N2CCCC2)CC1 22991645 SYGXGAHWSJGAPV-UHFFFAOYSA-N 330.384 1.890 0 40 EDAB COc1ccc(OC[C@H](O)CN2CCNC(=O)C2)c(C(C)(C)C)c1 46344098 DHAHHBWXQHDPRS-CYBMUJFWSA-N 336.432 1.164 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(F)cc1 3430026 MJLWFWWEYJPAOB-QGHHPUGFSA-N 333.363 1.723 0 40 EDAB CC(C)c1nn(C)cc1CNCCN1CCN(c2ncccn2)CC1 48747027 WJMVNVWPDBZPTA-UHFFFAOYSA-N 343.479 1.245 0 40 EDAB CC(C)OCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1 49092493 NFOZRGDHAIULSV-UHFFFAOYSA-N 343.221 1.688 0 40 EDAB COc1cccc(CNS(=O)(=O)c2cc(C(=O)O)cs2)c1 13307873 CSOXBUAELDDMKM-UHFFFAOYSA-N 327.383 1.933 0 40 EDAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H]1CC(=O)N(C)C1 72302839 JPJLLLFSHHTKLU-LBPRGKRZSA-N 332.791 1.795 0 40 EDAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)C1=NNC(=O)CC1 4334241 JFNHATLZWASNHC-UHFFFAOYSA-N 331.372 1.233 0 40 EDAB COC[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 65422382 RJSAKPAGIJIKNN-KBPBESRZSA-N 340.493 1.371 0 40 EDAB CCOc1ncccc1CNC(=O)C[C@H](NC(N)=O)c1ccccc1 65437602 UKRUHWDQNASACQ-HNNXBMFYSA-N 342.399 1.896 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)COC)cc(C)c1C 65473002 HQFJTUAWHDOPIF-NSHDSACASA-N 328.434 1.318 0 40 EDAB O=C(CCc1cc(F)ccc1Br)Nc1nc(=O)cn[nH]1 96011060 GTGMLKRELKIKCM-UHFFFAOYSA-N 341.140 1.638 0 40 EDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 4468657 AYILUTYKNFFDIB-ORAYPTAESA-N 343.427 1.931 0 40 EDAB COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1 14022469 INKSQPOQFUEIAF-UHFFFAOYSA-N 335.381 1.945 0 40 EDAB COCCNC(=O)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1 14186740 GQWNFKFMZMHWIV-UHFFFAOYSA-N 341.216 1.034 0 40 EDAB NC(=O)c1ccc(OCC(=O)N2CCC[C@H](n3cccn3)C2)cc1 65609684 FMUUESBRRGTUPG-AWEZNQCLSA-N 328.372 1.225 0 40 EDAB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC2CCCC2)c1 65622166 IGSAROAYVWKBPU-UHFFFAOYSA-N 331.459 1.928 0 40 EDAB CN1CCO[C@H](CNCc2ccc(OCc3nccn3C)cc2)C1 65624279 JDPFILPUGICQML-QGZVFWFLSA-N 330.432 1.419 0 40 EDAB O=c1c(Cl)c(N[C@H]2CCS(=O)(=O)C2)cnn1-c1ccccc1 6589903 WMGGHLRDSHLTIR-JTQLQIEISA-N 339.804 1.485 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2cccc(F)c2)cc1 9390292 LLCRGSCMVGMLTM-UHFFFAOYSA-N 336.388 1.805 0 40 EDAB Cc1cc(NC(=O)CN2CCNC(=O)CC2)ccc1N1CCCC1 9338767 KIXDYJAPUHLUSC-UHFFFAOYSA-N 330.432 1.356 0 40 EDAB CCc1cccc(-n2c(SCC(N)=O)nnc2N2CCOCC2)c1 6993548 FRALYGJENDORCV-UHFFFAOYSA-N 347.444 1.244 0 40 EDAB CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc(F)c(F)c1 4986207 HEZACRNIXQSDAI-LLVKDONJSA-N 348.371 1.026 0 40 EDAB COCc1nnc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)s1 72403738 KDOYQIMHAHINLX-UHFFFAOYSA-N 345.384 1.342 0 40 EDAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CCN(C)C1=O 80702269 OXCISUOMTHQJFH-ZETCQYMHSA-N 336.339 1.534 0 40 EDAB Cn1cnc(S(=O)(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 69098071 ZVAAYTJHCWFZGS-HNNXBMFYSA-N 334.445 1.363 0 40 EDAB Cc1nc(N(C)CC(N)=O)c2cnn(-c3cccc(Cl)c3)c2n1 71824454 FSLSQKPEMGGCFU-UHFFFAOYSA-N 330.779 1.699 0 40 EDAB CCN(C(=O)CSc1nnc(C2CC2)o1)[C@@H]1CCS(=O)(=O)C1 8245345 ZPQIBVDOKURZFI-SNVBAGLBSA-N 345.446 1.075 0 40 EDAB Cc1cc2n(n1)C[C@H](CN[C@H](C(=O)NC1CCCC1)C(C)C)CN2 69371268 DMMLMOSRPJZKKV-YOEHRIQHSA-N 333.480 1.906 0 40 EDAB NC(=O)C1CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)CC1 71831242 FOQOSVDBVPZFHJ-UHFFFAOYSA-N 325.372 1.873 0 40 EDAB CC[C@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CCO1 69451864 XGBPNZOPLPQDKW-HOTGVXAUSA-N 346.427 1.681 0 40 EDAB COc1ccccc1CCNC(=O)N1CCC(n2cncn2)CC1 69557830 YNCIDAKCLFUAPY-UHFFFAOYSA-N 329.404 1.876 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)c3ccc(C)nc3)CC2)n1 69518116 ZMUGGEIPSRXNHZ-UHFFFAOYSA-N 341.415 1.850 0 40 EDAB COc1cc(CNC[C@H]2CN(C3CC3)CCO2)c2c(c1)C[C@@H](C)O2 69589894 JFVFHRNORNLIJM-ACJLOTCBSA-N 332.444 1.971 0 40 EDAB CN(Cc1ccco1)C(=O)CSc1nnnn1C1CCOCC1 69580700 AHNHEQAIMBFAJP-UHFFFAOYSA-N 337.405 1.368 0 40 EDAB CN1CC(=O)N(CC(=O)N2CCCC[C@@H]2Cc2ccccc2)C1=O 71924384 ATXPFPDYHOZBBH-OAHLLOKOSA-N 329.400 1.504 0 40 EDAB CN1C[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CC1=O 71908832 KBBUBLAFEFGKMO-XJKCOSOUSA-N 349.818 1.206 0 40 EDAB C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCCOCCO)cc1 69656358 ZMNBKQPAVQKJLE-AWEZNQCLSA-N 349.431 1.832 0 40 EDAB O=C(Nc1cn[nH]c1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 69772369 OKRKAXILKYPMOK-UHFFFAOYSA-N 341.297 1.573 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)NCCc2ccc(N(C)C)cc2)C1 69743392 WTWGCHIJASMAQG-OAHLLOKOSA-N 348.447 1.825 0 40 EDAB O=C(CCS(=O)(=O)c1ccccc1)N1CCC[C@H](n2cccn2)C1 69704370 DAFKXJAAPVSBQS-HNNXBMFYSA-N 347.440 1.911 0 40 EDAB COCc1noc(CN2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1 95464570 NMSMYUNPDWZESU-UHFFFAOYSA-N 339.783 1.156 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CCc2ccccc2C1 70753271 VGUALXASQZZDKC-OAHLLOKOSA-N 349.390 1.364 0 40 EDAB C[C@H](CC(=O)N1CCCCCC1)NCC1(N(C)C)CCOCC1 95968018 OTSRUKPAZNVSOJ-MRXNPFEDSA-N 325.497 1.868 0 40 EDAB Cc1sc2ccccc2c1S(=O)(=O)NC[C@](C)(O)CN(C)C 89534473 HEKREKUKOAOSRY-HNNXBMFYSA-N 342.486 1.801 0 40 EDAB Cc1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c(=O)[nH]1 75119805 WHLAFZTXHRTVJN-UHFFFAOYSA-N 339.395 1.736 0 40 EDAB Cc1cc(C)c(CNC(=O)N2CCC(CCN(C)C)CC2)c(=O)[nH]1 75121031 WMOYEJWYRCJKHF-UHFFFAOYSA-N 334.464 1.865 0 40 EDAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCO[C@H](Cn2cncn2)C1 75132039 JRWNRNIKZBGUIA-WBVHZDCISA-N 343.431 1.199 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3nc(-c4ccoc4)no3)CCO2)n1 75132218 PFNYUFNKZUOVQW-CQSZACIVSA-N 344.375 1.439 0 40 EDAB COc1ccc(C)cc1[C@@H](O)CS(=O)(=O)Cc1cc(C)on1 89612042 VLQVVHAVKLSDGO-AWEZNQCLSA-N 325.386 1.948 0 40 EDAB O=C(NCCc1nnc2n1CCC2)N(C[C@H]1CCCO1)C1CCCC1 86429833 CZMOUCWQKHLZMG-OAHLLOKOSA-N 347.463 1.900 0 40 EDAB Cc1nc(C2CCN(c3ncnc(-n4cccn4)c3N)CC2)no1 89718245 BEBXLSNJXNYNCV-UHFFFAOYSA-N 326.364 1.320 0 40 EDAB CCCn1nnnc1CN1CCC[C@H](c2ccnc(COC)n2)C1 89960683 ICVUYDFTSKNUGK-ZDUSSCGKSA-N 331.424 1.399 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)ccc1=O 75602661 GOUCINBIVDNXCF-AWEZNQCLSA-N 344.419 1.339 0 40 EDAB Cn1nc2c(cc1=O)CN(c1nn3cc(C(C)(C)C)nc3s1)CC2 76064308 BWSCPAGYQLAANF-UHFFFAOYSA-N 344.444 1.745 0 40 EDAB CC(=O)NCCNC(=O)c1cc(-c2ccco2)nc2onc(C)c12 23742828 MMCZILQQUBCDGO-UHFFFAOYSA-N 328.328 1.657 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)n2)CC1 68658412 GKYJKLPOWRTXRG-LLVKDONJSA-N 329.322 1.928 0 40 EDAB C[C@]1(NS(=O)(=O)C2=Cc3ccccc3CC2)CCS(=O)(=O)C1 24067980 OSDZRGPFIXQNLF-HNNXBMFYSA-N 341.454 1.470 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1)n1cncn1 548677323 STNYSTFZGYNVKD-DOTOQJQBSA-N 342.447 1.747 0 40 EDAB COc1cccc(Cn2cc(NC(=O)c3nc4ncccn4n3)cn2)c1 36618805 RCIVXKRSFXSLOF-UHFFFAOYSA-N 349.354 1.630 0 40 EDAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1cc3cccnc3[nH]1)C2 519536212 COAURKOYRDECID-CYBMUJFWSA-N 339.399 1.347 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2ccnn21 306144445 ZFKYNYQPFBXDRF-MUBLQREKSA-N 330.413 1.677 0 40 EDAB CN1CC[C@@H](CNS(=O)(=O)c2cnc3ccsc3c2)CC1=O 521395863 DARSQMVVRHNQAP-SNVBAGLBSA-N 339.442 1.443 0 40 EDAB COc1ccc2c(c1)OC[C@@H]([C@@]1(O)C(=O)N(C)c3ccccc31)C2=O 408569767 XUGFQZOCLYWGSZ-AUUYWEPGSA-N 339.347 1.751 0 40 EDAB CSc1nnc(C)n1NC(=S)NC(=O)c1ccc(F)cc1 33563731 PAMJWLSGEKXYEF-UHFFFAOYSA-N 325.394 1.706 0 40 EDAB CCOC(=O)c1ccc(Sc2nnc(C(F)(F)F)n2N)c(N)c1 78406652 GAXRQEWKIFMMRV-UHFFFAOYSA-N 347.322 1.921 0 40 EDAB CNC(=O)c1cccc(-c2noc(C3CN(C(=O)C4CCC4)C3)n2)c1 75156497 HTYKFFITERCGFZ-UHFFFAOYSA-N 340.383 1.822 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)NCCCOc1ccc(C)cc1 71792359 NJYVMYOJWLTTLO-CQSZACIVSA-N 339.461 1.670 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(OC)cc2)[C@@]1(COC)C(N)=S 218089779 IHCOUJQVSNYTIG-GZBFAFLISA-N 343.470 1.515 0 40 EDAB Cc1cccc(OCC(=O)Nc2ccn(CCN3CCOCC3)n2)c1 69622455 TZZNQELWSRZFHE-UHFFFAOYSA-N 344.415 1.541 0 40 EDAB CC1(C)CN(S(=O)(=O)c2ccc(C3CC3)cc2)[C@@H](C(=O)O)CO1 562982377 JTSLINQKPMGYLU-CQSZACIVSA-N 339.413 1.817 0 40 EDAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)N(C)Cc1cnn(C)c1 76826501 AQXXAKIRFSHGKO-UHFFFAOYSA-N 342.852 1.882 0 40 EDAB CNc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)O 217713776 ANRRBYADQLWRAM-UHFFFAOYSA-N 330.406 1.520 0 40 EDAB CC(C)NC(=O)Nc1ccc([C@H]2OCC(=O)N(C(C)C)[C@@H]2CO)cc1 72321175 BBCQXTHIXNMAGJ-NVXWUHKLSA-N 349.431 1.886 0 40 EDAB biogenic,in-vitro Cc1ccc(O[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)nn1 225466511 PRSNNSURTNAPNE-ZDUSSCGKSA-N 334.401 1.412 0 40 EDAB Cc1nccn1-c1ncccc1CNC(=O)N1CCN(C2CC2)CC1 195529989 GYSQQAWVSMLSMG-UHFFFAOYSA-N 340.431 1.565 0 40 EDAB Cc1ccccc1N1CCN(c2cncc(OCCCO)n2)CC1 195571572 WFQVRBPRBKSUJA-UHFFFAOYSA-N 328.416 1.873 0 40 EDAB C[C@@H]1CCCCN1S(=O)(=O)NCC[S@@](=O)Cc1ccccc1 69739486 VXLSYUMSKAHCHW-SZNDQCEHSA-N 344.502 1.644 0 40 EDAB O=C(CS(=O)(=O)Cc1cc(Cl)cc2c1OCOC2)N1CCC1 69741967 CBPJZDHUFZOGNA-UHFFFAOYSA-N 345.804 1.354 0 40 EDAB COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(N)cc1 225314259 YKMSKWGYQJCTOT-UHFFFAOYSA-N 338.360 1.776 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@@H](n3ccnc3)C2)C1=O 69843554 WNSPBISFKBQDQC-CYBMUJFWSA-N 347.419 1.157 0 40 EDAB Cc1cc(C)n(CCC(=O)NCc2nc(-c3cccn3C)no2)n1 225767321 OQCAYCHDTGRYHS-UHFFFAOYSA-N 328.376 1.595 0 40 EDAB Cc1cc(NC(=O)c2cc(C(C)C)nc(N3CCOCC3)n2)no1 96100981 VNMXOWDLLZJRQQ-UHFFFAOYSA-N 331.376 1.985 0 40 EDAB C[C@@H]1CCN(C(=O)NCCc2cccc(C(N)=O)c2)C[C@@H]1C(=O)O 578067521 SLULFGHQUFYETL-RISCZKNCSA-N 333.388 1.080 0 40 EDAB CCCCNC(=O)N1CCc2nc(N3CCOCC3)nc(C)c2C1 96253896 HEQISPHAOZWESJ-UHFFFAOYSA-N 333.436 1.489 0 40 EDAB CC(=O)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccco3)C[C@@H]21 96182811 VPBMHVQJHCKKOG-OIISXLGYSA-N 331.416 1.227 0 40 EDAB O=C(c1ccnnc1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96217536 LAGYBDPQWHILHT-QAPCUYQASA-N 340.383 1.177 0 40 EDAB C[S@](=O)CCNC(=O)NC1CCN(CC2CCCCC2)CC1 96408804 GJWDQZKYKRBKKR-JOCHJYFZSA-N 329.510 1.709 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3cccnc3)CC2)N1 96061468 BRTHITVSMODCOL-INIZCTEOSA-N 336.395 1.755 0 40 EDAB Cc1c(NC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)nnn1Cc1ccncc1 579530888 IVQOPWOGMNXZJM-CPUCHLNUSA-N 327.388 1.926 0 40 EDAB CCC(=O)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 96791763 SDQKCIFISQKHDG-UHFFFAOYSA-N 329.400 1.759 0 40 EDAB CC(=O)N1CCC[C@@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 96215493 KHOPANSZBSCLRO-CQSZACIVSA-N 328.459 1.771 0 40 EDAB O=C([C@H]1COC[C@H]2CN(CCc3ccccc3)C[C@H]21)N1CCOCC1 96040721 SQTRDNTZJSBVNY-QRVBRYPASA-N 344.455 1.282 0 40 EDAB c1nc(N2CCOCC2)nc2c1COC[C@]21CCN(CC2CC2)C1 96244180 SPLMBESSPXEOML-GOSISDBHSA-N 330.432 1.197 0 40 EDAB CC(C)n1cnc2ccc(NC(=O)c3ccc4nnnn4c3)cc2c1=O 95476367 CBGSEBMAVQJPPS-UHFFFAOYSA-N 349.354 1.667 0 40 EDAB CCn1nccc1/C=C/C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C 245289671 DJFCRFFWDDSKIX-VNKQVBPSSA-N 346.475 1.922 0 40 EDAB COc1ccc(-c2noc([C@H]3CCCN(S(N)(=O)=O)C3)n2)cc1 585133829 WYXGNSBELKCQHT-NSHDSACASA-N 338.389 1.128 0 40 EDAB CC(C)N1CCOC[C@]2(CC[C@@H](CNc3cc(N(C)C)ncn3)O2)C1 248070926 AWPUDCWVABNVPE-YJBOKZPZSA-N 349.479 1.613 0 40 EDAB O=C(C1CCC(F)(F)CC1)N1CC[C@](O)(CN2CCOCC2)C1 257281497 OPMJSRNDZNEMDK-HNNXBMFYSA-N 332.391 1.108 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CCCC2=O)C[C@H]1c1ccccc1 257297559 RHVCLHTUAUGISC-INIZCTEOSA-N 329.400 1.041 0 40 EDAB COC(=O)c1cc(S(=O)(=O)NCc2cscn2)c(F)cc1F 69869468 YSSGEYSLABNNNM-UHFFFAOYSA-N 348.352 1.686 0 40 EDAB Cc1noc(C)c1C(=O)N(C)C[C@@]1(O)CCCN(c2ccccn2)C1 257227810 FQZMJJFLGVVZOX-SFHVURJKSA-N 344.415 1.790 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cccn1)NC1CCN(C2CC2)CC1 69813513 HFICUKROKZBCTR-QGZVFWFLSA-N 331.464 1.091 0 40 EDAB O=C1CC[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)N1 69846681 OWNVEXDODVYUPY-ZDUSSCGKSA-N 335.791 1.793 0 40 EDAB C[C@H](NC(=O)Nc1ccc(-n2cccn2)nc1)C(=O)NC(C)(C)C 69893683 RXWGKSYSDSFLAR-NSHDSACASA-N 330.392 1.692 0 40 EDAB Cc1cnn(CC(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)c1 257220755 DLZWIRMODABTEQ-OAHLLOKOSA-N 329.404 1.253 0 40 EDAB COc1cc(=O)n2c(c1C(=O)Nc1ccc3c(c1)OCO3)CCC2 253394729 BJKCNOROUHAXEJ-UHFFFAOYSA-N 328.324 1.784 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2cncnc2)C1 257208813 BNRMTLDDVAJZEE-SFHVURJKSA-N 344.390 1.325 0 40 EDAB Cc1cc2nc(C3CCN(C(=O)CCC(=O)O)CC3)cc(C)n2n1 257299613 RQUFLIBJIXOCTG-UHFFFAOYSA-N 330.388 1.917 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCc2c[nH]c3ccccc23)C1 257235319 GXIFTUZGORNZPO-OAHLLOKOSA-N 342.443 1.237 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c3nonc23)C[C@H]1C(=O)O 263083873 IAVDLHDKPNXSNN-RNFRBKRXSA-N 345.764 1.217 0 40 EDAB COC(=O)CC1(CN2C(=O)C(=O)N(c3ccc(C)cc3C)C2=O)CC1 281513604 SVLBLZBUVVSKMQ-UHFFFAOYSA-N 344.367 1.942 0 40 EDAB NCCc1ccc(C(=O)NC[C@@]23CNC[C@@]2(C(F)(F)F)C3)cc1 1615552235 DAAQVYXLYDSUAS-CABCVRRESA-N 327.350 1.460 0 40 EDAB CC[C@H](NC(=O)c1cnc2cc(OC)ccc2c1)[C@H](O)C(=O)OC 1615551423 XIJLRNUJKMBEAY-ZFWWWQNUSA-N 332.356 1.286 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC[C@H]1c1ccsc1 298726366 FODOYHCNUFXUAK-NFAWXSAZSA-N 335.473 1.997 0 40 EDAB Cc1nn(C)c(C)c1C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C 390827171 FITHDDVJHVFVCU-UHFFFAOYSA-N 349.416 1.420 0 40 EDAB Cc1nc(C(=O)NC[C@H]2CO[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C)C[C@H]23)cs1 575403277 GUNVWLICNQNMSO-FIRSIQCYSA-N 349.456 1.311 0 40 EDAB Cc1ccc(S(=O)(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)cc1 585097806 QOSRPTJKHUDOKP-INIZCTEOSA-N 348.472 1.716 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)c2ncccn2)[C@H]1Cc1ccccc1 585269257 NBPIRIGDJWFWNC-IRXDYDNUSA-N 338.411 1.829 0 40 EDAB Cn1cnc2c1C[C@@H](CO)N(C(=O)c1ccc3c(c1)OCCCO3)C2 585094582 CIRYKBUMMDHFPV-ZDUSSCGKSA-N 343.383 1.141 0 40 EDAB COC[C@@H](C)NC(=O)c1nc2c(o1)CCN(Cc1ccccc1)C2 585112584 RONVYRUNXLCAFB-CYBMUJFWSA-N 329.400 1.998 0 40 EDAB Cc1cc(CN2Cc3ccnn3CC[C@@H]2COc2cnccn2)n[nH]1 585097124 HPXGXSUEMKXTON-MRXNPFEDSA-N 339.403 1.558 0 40 EDAB COc1ncc(CN2CC[C@](O)(COc3cccc(C)c3)C2)cn1 585268894 CXIQOKDZOUKYTB-GOSISDBHSA-N 329.400 1.809 0 40 EDAB Cc1cnn(CC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1 69947311 UJLQGPUQNJRFID-QGZVFWFLSA-N 328.416 1.069 0 40 EDAB CCCCS[C@@H](C)C(=O)N1CCN(Cc2noc(C)n2)CC1 71882366 QJRDULOOUXXZQX-LBPRGKRZSA-N 326.466 1.944 0 40 EDAB CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCc2ccc(Cl)cc2)c1 32913953 DOJYIGZPCZQHLN-UHFFFAOYSA-N 341.820 1.848 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)c2ccc3c(c2)OCO3)cc1OC 170213278 WYVIDYFNDPWBJS-ZDUSSCGKSA-N 345.351 1.896 0 40 EDAB c1cnn(-c2cncc(NC[C@]3(N4CCOCC4)CCSC3)n2)c1 44975877 VGOQPAVONMIPHH-MRXNPFEDSA-N 346.460 1.282 0 40 EDAB Cc1ncnc(OCC2CCN(C(=O)c3ncc[nH]c3=O)CC2)c1C 1565522663 WYWINMPHZBOUNK-UHFFFAOYSA-N 343.387 1.108 0 40 EDAB Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)c(=O)[nH]1 75119628 BOQFVGWBKMCVKI-UHFFFAOYSA-N 325.412 1.862 0 40 EDAB CNC(=O)CCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 57482821 WAUPRKUTSXIHEH-UHFFFAOYSA-N 328.287 1.259 0 40 EDAB O=C1CC[C@H](NC(=O)c2c[nH]c3ncccc23)[C@@H]([C@@H]2CCCO2)N1 577432089 IUCWCEWTDJHNSS-YDHLFZDLSA-N 328.372 1.119 0 40 EDAB Cn1cc(C2CCN(Cc3nnnn3Cc3ccccc3)CC2)cn1 97203217 RATNHOFQVAHHOU-UHFFFAOYSA-N 337.431 1.835 0 40 EDAB CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 12187789 RUJFPERKHDKQSU-NSHDSACASA-N 342.417 1.499 0 40 EDAB COCCC(=O)N(C)Cc1nc(N(C)C)ncc1-c1cc(C)no1 12337707 HAEIWBOLGINWGW-UHFFFAOYSA-N 333.392 1.501 0 40 EDAB Cn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 12444492 GTFHAECDDCZYPF-UHFFFAOYSA-N 334.807 1.801 0 40 EDAB O=C1C(=O)N(CN2CCOCC2)c2cc(Br)ccc21 14122322 KHHDTEBBXBUAAV-UHFFFAOYSA-N 325.162 1.268 0 40 EDAB CCOC(=O)[C@]1(CC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@H]21 19500779 PEVPQDRTQGOZAM-WZTLGTBRSA-N 348.374 1.413 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)N1CCC[C@H](O)C1 19576140 HGPHJNJWOIQMGE-NBGRUEAGSA-N 328.368 1.057 0 40 EDAB Cc1cc(OC2CCN(C(=O)c3cccn(C)c3=O)CC2)cc(=O)o1 206970489 NHUGJOSCTCRYJN-UHFFFAOYSA-N 344.367 1.331 0 40 EDAB O=C1[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)N1C[C@H](O)C(F)(F)F 158517037 YCABOBLYACBKHH-XQQFMLRXSA-N 342.317 1.027 0 40 EDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NC1CCCCC1 5272617 RKBSGRMEWDVYIB-UHFFFAOYSA-N 336.413 1.670 0 40 EDAB COc1ccc(CCS(=O)(=O)NCC2CCN(C)CC2)cc1 22999788 YIGUBAFWCQMJRV-UHFFFAOYSA-N 326.462 1.499 0 40 EDAB Cc1cnc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cn1 5019563 FFSRUABGJBZTJM-UHFFFAOYSA-N 334.401 1.596 0 40 EDAB CN(CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1 7444134 SLOXKQCAKOXWIP-AWEZNQCLSA-N 344.864 1.417 0 40 EDAB Cc1cnc([C@H]2CN(S(=O)(=O)c3cccc(F)c3)CCO2)cn1 1848356832 XXSQHFSETJHTCG-OAHLLOKOSA-N 337.376 1.686 0 40 EDAB COc1ccnc(N2C[C@@H]3CN(C(=O)c4ccncc4F)C[C@H]3C2)n1 1888844283 QLDYNPUPGZWSBQ-RYUDHWBXSA-N 343.362 1.228 0 40 EDAB O=C(N[C@@H]1CCN(C2CCOCC2)C1)c1ccc2nccnc2c1 1888847505 MNWAURIJUQAWCD-CQSZACIVSA-N 326.400 1.613 0 40 EDAB Cc1noc(C)c1CN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1888849360 ACOBZZJPSKFIAX-IRXDYDNUSA-N 339.395 1.908 0 40 EDAB C[C@@H]1CN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H](C)O1 24572915 QVYYKHZCBBVLNQ-VXGBXAGGSA-N 349.387 1.215 0 40 EDAB COc1ccc(CN2CCO[C@@]3(COCC(=O)N(C)C3)C2)c(C)c1 2037984324 XNGSHJCNLPLHKD-GOSISDBHSA-N 334.416 1.063 0 40 EDAB CCN1C[C@H]2C3(CCN(C(C)=O)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96143893 GJVHLFSLNNBPRC-FXAWDEMLSA-N 347.503 1.969 0 40 EDAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2ncnc3c2cnn3C)C1 2087131233 KCDYYAYAYYSPON-LBPRGKRZSA-N 330.436 1.837 0 40 EDAB O=C(CCc1ccc[nH]1)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 1565556778 VDHHMILGARTXQE-FUHWJXTLSA-N 343.427 1.900 0 40 EDAB CC(C)n1nc(CN2CCCC2=O)c2c1CN(C(=O)c1cc[nH]n1)C2 1565555247 CQPFMPDHGKKWOB-UHFFFAOYSA-N 342.403 1.466 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2cccc(F)c2)C1 2055771790 YYLDOHSQEMMQPK-KRWDZBQOSA-N 330.363 1.400 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CC(N3C(=O)[C@H]4C[C@@H]4C3=O)C2)cc1 585388720 YBAJQWJZSAIZEZ-GJZGRUSLSA-N 328.368 1.303 0 40 EDAB CCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C(N)=O)cc1 30333056 URPJAXKNSXTDIM-AWEZNQCLSA-N 326.418 1.504 0 40 EDAB CCOC(=O)CCCNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 40120090 PSFRZGBSKAOVHF-UHFFFAOYSA-N 345.399 1.625 0 40 EDAB CCOC(=O)CC(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C 20112365 UHJAJKYQIGMBBM-CYBMUJFWSA-N 349.383 1.865 0 40 EDAB biogenic Cc1ccc(N2C[C@H](C(=O)N[C@@H](C)Cn3cccn3)CC2=O)cc1F 31399432 UYNKSFAHYHABPU-UONOGXRCSA-N 344.390 1.888 0 40 EDAB Cc1cccc(N2CCN(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 40476349 SYJHQWMQCDSTOD-CQSZACIVSA-N 337.445 1.014 0 40 EDAB COCc1nnc(NC(=O)CN2CC(=O)Oc3ccccc32)s1 31846955 YMQVWBLRBHQAFJ-UHFFFAOYSA-N 334.357 1.049 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCO[C@H]4CCCC[C@@H]43)cnc12 40553916 BZQRRLRTNNOEBN-HOTGVXAUSA-N 341.411 1.875 0 40 EDAB O=C(COc1ccc(F)cc1F)N[C@H]1CCCN(c2ncccn2)C1 40553665 NUHYHJZIIQHDGO-ZDUSSCGKSA-N 348.353 1.919 0 40 EDAB CCCCOc1ccccc1N1C(=O)C[C@H](N2CCN(C)CC2)C1=O 101130845 LMXRUHUVZPNJLI-INIZCTEOSA-N 345.443 1.745 0 40 EDAB O=C1NCCN1C1CCN(Cc2nc(-c3cccs3)no2)CC1 52214838 BTKHHOPASRHCAB-UHFFFAOYSA-N 333.417 1.788 0 40 EDAB Cn1cccc1C(=O)NCCNS(=O)(=O)c1ccccc1Cl 32760516 HKEJENOERZHMRH-UHFFFAOYSA-N 341.820 1.387 0 40 EDAB NC(=O)c1ccsc1NC(=O)CCn1cnc2sccc2c1=O 32870832 TXLHIIOOWWZBFI-UHFFFAOYSA-N 348.409 1.647 0 40 EDAB FC(F)(F)c1ccc(NCCCNc2ccc3nnnn3n2)nc1 32911770 XQYLYUJZXILAIW-UHFFFAOYSA-N 338.297 1.847 0 40 EDAB CNC(=O)C1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)CC1 32902820 ATVVDKINOIZIHA-BQYQJAHWSA-N 338.411 1.870 0 40 EDAB O=C(NCc1ccco1)NC[C@H]1CN(Cc2ccccc2)CCO1 53250128 UMFUXYFWQYZRAN-KRWDZBQOSA-N 329.400 1.980 0 40 EDAB CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 538255 RPEILDMSBKWTGO-PASDCYSWSA-N 327.380 1.574 0 40 EDAB Cc1nc2cc(Cl)ccc2cc1C(=O)N1CCN(CCO)CC1 78282044 QIPKDWFNPAQHNX-UHFFFAOYSA-N 333.819 1.947 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)[C@H]3COc4ccccc43)CCO2)n1 78889714 DIUZOLYQJRWLMU-DZGCQCFKSA-N 342.399 1.833 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)ccn1 79361855 KVVNONAIMUYMPD-GDBMZVCRSA-N 327.388 1.672 0 40 EDAB O=C(CCNC(=O)c1ccco1)NCCc1cn2ccccc2n1 23319040 ARPZAWPFPAJYGF-UHFFFAOYSA-N 326.356 1.406 0 40 EDAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC(NS(C)(=O)=O)CC2)C1(C)C 54483832 PLIYVPWMEVNJAZ-UONOGXRCSA-N 328.478 1.765 0 40 EDAB Cc1nnc(CN(C)[C@H]2CCN(c3c(F)cccc3F)C2=O)n1C 88537169 ZNEURZANSIHSOG-ZDUSSCGKSA-N 335.358 1.639 0 40 EDAB CCOc1ccc(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 24161665 XWHMHDUXPQJIGN-MRXNPFEDSA-N 334.397 1.696 0 40 EDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)OCc3c(C)noc3C)ccc21 6651754 GEXZOBIMGKNSDZ-UHFFFAOYSA-N 343.339 1.672 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(CCOc2ccc(F)cc2)CC1 24243104 PNSZXYYOPSETIH-AWEZNQCLSA-N 335.423 1.489 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)c1nnn(-c2cccc(Cl)c2)c1C 55037147 SGNLRUUDXXJMEM-SNVBAGLBSA-N 349.822 1.874 0 40 EDAB NC(=O)C1CCN(C(=O)c2cccc(Nc3ncccn3)c2)CC1 24543090 SHCOGAFJFKLHQV-UHFFFAOYSA-N 325.372 1.558 0 40 EDAB O=C(N1CC[C@]2(O)CCCC[C@H]2C1)C1(n2cnnn2)CCCCC1 85432624 XBRZLQOYYJKSSR-WMLDXEAASA-N 333.436 1.486 0 40 EDAB CC1(C)S[C@H]2[C@H](NC(=O)/C=C/c3ccccc3)C(=O)N2[C@@H]1C(=O)O 8665504 PESMSDATOHZVBN-SYFVHKBXSA-N 346.408 1.332 0 40 EDAB c1ccc(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cc1 1393976 YDIJWELQAKHQPZ-UHFFFAOYSA-N 326.400 1.817 0 40 EDAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCN(C(C)=O)CC1 34859006 NXFGIZGBEBJOSY-UHFFFAOYSA-N 339.823 1.760 0 40 EDAB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC(CC(N)=O)CC1 48026178 NLXBDSUHSZNKTR-CJNGLKHVSA-N 345.443 1.602 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)NCC2(c3ccccc3)CC2)C[C@@H]1C 106906582 AMMAWEGYKSYMCX-IRXDYDNUSA-N 345.487 1.221 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 3265103 BMADKVZKOZTBGN-LBPRGKRZSA-N 336.413 1.891 0 40 EDAB CN(C)C(=O)CN1CCC(NC(=O)NC/C=C/c2ccccc2)CC1 95396260 HNROOAHFIHXRMD-RMKNXTFCSA-N 344.459 1.552 0 40 EDAB O=C(Cn1nc2ccccn2c1=O)Nc1cc(-c2cccs2)n[nH]1 95995913 PPHCYUWBYLWIBM-UHFFFAOYSA-N 340.368 1.586 0 40 EDAB CCCCCn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C 12647601 ZZNRIHBZNAAOAW-UHFFFAOYSA-N 333.436 1.850 0 40 EDAB C[C@H](CNC(=O)c1ccc(N2CCOC2=O)cc1)CN1CCCC1=O 58024647 KFXOCOWJVDJHBP-CYBMUJFWSA-N 345.399 1.632 0 40 EDAB COc1ccc(Cl)cc1CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 48250229 ZFVUCCBGOUJNSS-GFCCVEGCSA-N 346.836 1.677 0 40 EDAB CON(C)S(=O)(=O)c1ccc(C(=O)OCc2ccoc2)cc1 58171982 ZAFQHFIZFGZJNQ-UHFFFAOYSA-N 325.342 1.819 0 40 EDAB CC(=O)N1CCC(NS(=O)(=O)c2ccc(F)c(F)c2F)CC1 44869703 YVHZBUHNFIVNJT-UHFFFAOYSA-N 336.335 1.393 0 40 EDAB CSc1nc(C(=O)N2CCC[C@H](NC(C)=O)C2)c2ccccn12 58201338 KDBOLFAAXQQZQL-LBPRGKRZSA-N 332.429 1.797 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCCCNC1=O 44967996 UPLKMNIRFVPWRP-CYBMUJFWSA-N 333.388 1.268 0 40 EDAB CN(C)c1ncccc1CNC(=O)c1ccccc1S(C)(=O)=O 44941446 IHUGOOACDREZJC-UHFFFAOYSA-N 333.413 1.481 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)Nc3nncs3)CC2)c(C)o1 44973402 IWLBPORWWQMYBX-UHFFFAOYSA-N 335.389 1.738 0 40 EDAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H]1CCCO1 27396158 PETPXIGCWHSVQY-VXGBXAGGSA-N 326.418 1.426 0 40 EDAB OCCn1nccc1C1CCN(Cc2nnc(-c3ccco3)o2)CC1 58312544 HOPZYWJCIODDCT-UHFFFAOYSA-N 343.387 1.898 0 40 EDAB O=C(O)C[C@@H](NCc1ccco1)C(=O)OCCOc1ccccc1 2235233 VLHUCAZZVDXEFC-OAHLLOKOSA-N 333.340 1.835 0 40 EDAB O=C(NC[C@@H]1CCOC1)NCC1(N2CCSCC2)CCCC1 48332032 IUILPRPZRCHZAD-AWEZNQCLSA-N 327.494 1.684 0 40 EDAB Cc1cccnc1NC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 45537764 WSTVOSSXCLALLO-LSDHHAIUSA-N 334.420 1.249 0 40 EDAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(C)=O)CC1 36684308 LTOZXGFMHOWYDU-YOEHRIQHSA-N 345.443 1.522 0 40 EDAB O=C(COCCOc1ccccc1)NC1CCN(C(=O)C2CC2)CC1 45880768 ATCLRRQMWLAAJU-UHFFFAOYSA-N 346.427 1.599 0 40 EDAB CCOC(=O)[C@H]1CSCCN1CC(=O)Nc1ccc(OC)cc1 12892640 OXKQPAMKHFYELO-CQSZACIVSA-N 338.429 1.614 0 40 EDAB COCCN1C(=S)N(c2ccccc2F)[C@H]2CS(=O)(=O)C[C@@H]21 9060738 XJBZZIAHBFHWPY-STQMWFEESA-N 344.433 1.045 0 40 EDAB CCCNC(=O)NC(=O)CNc1ccc(-c2nnnn2C2CC2)cc1 29941280 IHNXETWEFIQROB-UHFFFAOYSA-N 343.391 1.323 0 40 EDAB Cc1oncc1C(=O)N1CC[C@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 306132212 LBSGISPQXPBEDG-IRXDYDNUSA-N 344.415 1.969 0 40 EDAB NC(=O)[C@H]1C[C@H](O)CN1C(=S)Nc1ccc(Cl)cc1Cl 3414891 DKZJOQMGJJNNLE-OIBJUYFYSA-N 334.228 1.611 0 40 EDAB Cn1cc(CCNC(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)cn1 46992951 MCIOUNPRRNVKPF-HZPDHXFCSA-N 336.436 1.332 0 40 EDAB Cc1nnnn1-c1ccccc1C(=O)N1CCN(c2ccccc2)CC1 71280425 OUFVDCWYPPASKP-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB CN1C(=O)N[C@@](C)([C@H]2CCCN(CCOCC(F)(F)F)C2)C1=O 84668091 QWHRCCQUORYTJU-GWCFXTLKSA-N 337.342 1.218 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)CC1 13355558 RZHCSJZJXXPCSK-UHFFFAOYSA-N 343.387 1.490 0 40 EDAB CC(C)[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)CC(N)=O 49248539 HIKQXBFXXJNLQU-CYBMUJFWSA-N 343.221 1.796 0 40 EDAB COCC(=O)N1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 49244594 HKWRELAAEHSMRI-UHFFFAOYSA-N 340.807 1.426 0 40 EDAB Cc1nc(C(=O)NCC(=O)NC(C)(C)C)nn1-c1ccccc1Cl 63903995 RSXMUSWFKJGGBQ-UHFFFAOYSA-N 349.822 1.874 0 40 EDAB CC[C@@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)O 4064467 RYZJEZHEFUARDP-CYBMUJFWSA-N 347.367 1.940 0 40 EDAB biogenic Cc1ccc(C(=O)NC2CCN(C(=O)COCC(F)(F)F)CC2)o1 65014431 YFYVQLMVFRAZMF-UHFFFAOYSA-N 348.321 1.888 0 40 EDAB Brc1ccc(OCCOCCNn2cnnc2)cc1 6221798 JQLDESJNSBDLNS-UHFFFAOYSA-N 327.182 1.680 0 40 EDAB Cc1nc2n(c1C)CCN(CC(=O)N[C@H]1CCOc3ccccc31)C2 65463067 UOJYFYOKFGIIKY-INIZCTEOSA-N 340.427 1.956 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)N[C@@H]1CCCc2c1cnn2CCO 65415566 OVIRDRHIFHCXCK-IUODEOHRSA-N 332.404 1.776 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)Cn1cccn1)N(C)C 65440775 OVQXWTUZILRKGB-GOEBONIOSA-N 345.447 1.882 0 40 EDAB O=C(CNC(=O)CNC(=O)c1cccs1)NCC1CCCCC1 14086552 YOUJHJNMDRLSSO-UHFFFAOYSA-N 337.445 1.291 0 40 EDAB Cc1occc1C(=O)NCC(=O)Nc1nc(-c2ccccc2F)n[nH]1 65513474 JWOFSLFSWMZKML-UHFFFAOYSA-N 343.318 1.881 0 40 EDAB CC[C@@H]1CN(C(=O)CNC(C)(C)c2ccc3c(c2)OCO3)CCO1 65553227 VNCSGPODVLOADB-CQSZACIVSA-N 334.416 1.877 0 40 EDAB CN1C(=O)N(C)C(=O)C2(Cc3c(Cl)cccc3N3CCC[C@H]32)C1=O 5321862 ANCPYJFZEKVDSH-ZDUSSCGKSA-N 347.802 1.902 0 40 EDAB COc1ccccc1NCCC(=O)OCC(=O)NC[C@@H]1CCCO1 5658847 KBRGYQJHBBTTJG-ZDUSSCGKSA-N 336.388 1.336 0 40 EDAB CCN(Cc1cc(=O)n2nccc2[nH]1)Cc1cccc2c1OCO2 66497872 ITANVXJFNOFBAQ-UHFFFAOYSA-N 326.356 1.773 0 40 EDAB CC[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)c1cc(F)ccc1F 96419010 NSDMMOGZPROALR-CQSZACIVSA-N 346.399 1.263 0 40 EDAB CCOC(=O)CN1CCCN(c2cncc(Br)c2)CC1 81004628 OGHQECDNLQSSRB-UHFFFAOYSA-N 342.237 1.919 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1C 71843926 YTZVZPMRBPBBGB-KRWDZBQOSA-N 341.411 1.973 0 40 EDAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)C(N)=O 7996356 RNQSIEBVFJZVHX-NSHDSACASA-N 343.383 1.544 0 40 EDAB Cc1noc(CN(C)[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 71870796 QHSVRWDXXYFEJJ-ZDUSSCGKSA-N 332.408 1.735 0 40 EDAB CC1CCN(C[C@H](O)CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)CC1 71825051 AHMIIVCZXLQMNV-WBVHZDCISA-N 345.443 1.937 0 40 EDAB COCc1ccccc1CNC(=O)CN1C[C@H](C(N)=O)CC[C@@H]1C 71897055 NFCVQYXHWSDXSW-DZGCQCFKSA-N 333.432 1.035 0 40 EDAB O=C(NCCCN1C(=O)CCC1=O)N[C@@H]1CCCOc2ccccc21 71879843 AZOLLLPSUNQTOH-CQSZACIVSA-N 345.399 1.739 0 40 EDAB COc1ccccc1CCNC(=O)CN(CCO)Cc1ccsc1 70040415 KPUOBVPMCWGXRK-UHFFFAOYSA-N 348.468 1.910 0 40 EDAB Cc1noc(Cl)c1CC(=O)N1CCN(Cc2cccnc2)CC1 69366976 SHFLASQSRLJOAA-UHFFFAOYSA-N 334.807 1.918 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@H](C)O1 69490686 QTKHKQGTAXARIU-UWVGGRQHSA-N 346.836 1.961 0 40 EDAB CCC[C@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 95422605 NRBCVHRNTQKRPM-HNNXBMFYSA-N 339.505 1.901 0 40 EDAB COCc1nc(C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)cs1 69771336 QHMGTALXCOICRG-CYBMUJFWSA-N 341.477 1.454 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N1CCC[C@H]1Cn1cccn1 69951078 DRJHWEQFQHXKIN-AWEZNQCLSA-N 339.461 1.622 0 40 EDAB C[C@@H](Sc1nnc(NC(C)(C)C)s1)C(=O)N1CCNC1=O 8744764 LLWDCZAQAAIEGT-SSDOTTSWSA-N 329.451 1.781 0 40 EDAB O=C(Nc1ccncc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 9858922 IKNHCIBFARAZEJ-UHFFFAOYSA-N 328.347 1.508 0 40 EDAB CC[C@@H](NC(=O)c1ccncc1I)C(=O)OC 95447535 JWAOKIDGDBNICV-SECBINFHSA-N 348.140 1.368 0 40 EDAB CCOC(=O)CN(Cc1ccc(OC)c(OC)c1)Cc1nc(C)no1 72296444 ZHPXTCQPSGBMRL-UHFFFAOYSA-N 349.387 1.961 0 40 EDAB Cc1cnn(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)c1 72294358 JWSXUZJDUQBDOK-UHFFFAOYSA-N 341.350 1.822 0 40 EDAB Cc1nn(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c(C)c1Cl 72268996 TVCHEXMMGYLDCG-KGLIPLIRSA-N 340.855 1.211 0 40 EDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cnc(C)cn2)cc1OC 72293250 DPHINVKRJWXHAN-LBPRGKRZSA-N 345.355 1.748 0 40 EDAB Cc1nn(CCO)c(C)c1CNCc1cccc(Cn2cncn2)c1 97159964 VJPMECABDHUMNM-UHFFFAOYSA-N 340.431 1.422 0 40 EDAB COc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1N 72329964 CQHRMCHWWFYNPS-UHFFFAOYSA-N 347.322 1.750 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc(S(C)(=O)=O)cc1 98210982 PLUKVONHJCRYMF-UHFFFAOYSA-N 328.390 1.553 0 40 EDAB O=C(O)[C@@H]1COCCN1C(=O)COc1cccc(Br)c1 88375613 XNOXQKZVDJJFJZ-NSHDSACASA-N 344.161 1.140 0 40 EDAB C[C@@H](O)c1cn(C2CN(C(=O)c3ccc4c(c3)CCCC4)C2)nn1 95998057 NOLJZEZBAWBEGL-GFCCVEGCSA-N 326.400 1.907 0 40 EDAB Cn1c(=O)c2c([nH]c(=S)n2C/C=C/c2ccccc2)n(C)c1=O 9914355 XYSCOLOUNNTLLQ-RMKNXTFCSA-N 328.397 1.810 0 40 EDAB COCCN1CCC(CNC(=O)c2ccc(-n3cnnc3)cc2)CC1 89414401 KAOAWUHZLBZYED-UHFFFAOYSA-N 343.431 1.356 0 40 EDAB CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NCC(=O)OC(C)C)c1 75105737 DPQBAYMACSJBKL-GFCCVEGCSA-N 336.388 1.870 0 40 EDAB COc1cc(OC)c(OC)cc1CNC(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 1548453482 AUXPIKXTCHBXCF-OKILXGFUSA-N 349.431 1.415 0 40 EDAB O=c1[nH]c(Cn2c(-c3ccccn3)noc2=O)nc2ccsc12 89884675 JEZYUEKYSKDBNK-UHFFFAOYSA-N 327.325 1.245 0 40 EDAB CCN1CCCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 89977248 FUZYQNMRPPSNRB-GOSISDBHSA-N 332.492 1.897 0 40 EDAB CC(C)n1nc2c(cc1=O)CN(C[C@@H](O)COCc1ccco1)CC2 76064427 AQYQZDCLLFHYCP-OAHLLOKOSA-N 347.415 1.353 0 40 EDAB O=[S@@](c1ccc(N2CCn3nnc(CO)c3C2)cc1)C(F)(F)F 1548517268 BITOZJCFJAMMAT-QHCPKHFHSA-N 346.334 1.418 0 40 EDAB CS(=O)(=O)N1C[C@]2(CCN(Cc3ccco3)C2)c2ncccc21 306134687 NVGIDUGLCQKTCN-MRXNPFEDSA-N 333.413 1.598 0 40 EDAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(N)=O 409151355 GHYOWWVNRQJWHD-UHFFFAOYSA-N 333.417 1.114 0 40 EDAB CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(Br)n[nH]1 521396322 MNDSYVDSNDGPOS-LURJTMIESA-N 330.104 1.558 0 40 EDAB C[C@H]1C[C@@H](c2ccccc2)N2NC(NC(=O)CCCC(=O)O)=NC2=N1 33902889 GKVNAJZHAUBRTQ-AAEUAGOBSA-N 343.387 1.423 0 40 EDAB CC[C@H](C)[C@H](NC(=O)[C@@H](C)n1c(O)nc2ccccc2c1=O)C(=O)O 6908006 HVAJXHGXQQGHGI-CWSCBRNRSA-N 347.371 1.279 0 40 EDAB biogenic Cc1ccc2c(c1)OCCN2CC(=O)NC1CCC2(CC1)OCCO2 126537229 UZNJMFXNKHOJFU-UHFFFAOYSA-N 346.427 1.996 0 40 EDAB CN(C)C(C)(C)CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1 78602970 SQNQMIOWIYOSHG-CYBMUJFWSA-N 327.494 1.535 0 40 EDAB COC(=O)CSc1nnc(CSc2nc(C)cc(=O)[nH]2)o1 72408115 LQNUBAMMTXMVJT-UHFFFAOYSA-N 328.375 1.019 0 40 EDAB O=C(Oc1c(O)ccc2n[nH]nc12)Oc1c(O)ccc2[nH]nnc12 71624284 YBBPSHOQMAJGDN-UHFFFAOYSA-N 328.244 1.218 0 40 EDAB COCCNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 72327036 MQUCFZAFICAVKE-PITQQHRWSA-N 343.427 1.737 0 40 EDAB CC(C)(C)NS(=O)(=O)c1ccc(NCCCO)c(C(=O)O)c1 217564557 XOOYRYJFFVIHCF-UHFFFAOYSA-N 330.406 1.256 0 40 EDAB CCn1ccc(NS(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)n1 227161760 XNAXMXLBRKWSCQ-UHFFFAOYSA-N 336.373 1.059 0 40 EDAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)C1CCN(c2cnccn2)CC1 81703664 KSEYQHYHGUHZCR-FUHWJXTLSA-N 338.411 1.468 0 40 EDAB COc1ccc2nc(N3CCC[C@@H](NS(C)(=O)=O)C3)ccc2c1 131354294 PEDAHFJZYRNHTP-CYBMUJFWSA-N 335.429 1.761 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[C@H](Oc2cnccn2)C1 225793496 SXBWZNQCQLRBMD-GDZNZVCISA-N 341.367 1.685 0 40 EDAB CC(C)CN1C[C@@H](C(=O)NCCOc2ccc3c(c2)OCO3)CC1=O 40121800 IOBSELNYKRAUEG-ZDUSSCGKSA-N 348.399 1.415 0 40 EDAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)C1Cc3ccccc3C1)C2 570934848 VBFRPTYDTYQIPK-QGZVFWFLSA-N 339.439 1.572 0 40 EDAB O=C1CCSC[C@@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)N1 226753952 GKGNTBIZFWWQJP-AWEZNQCLSA-N 347.440 1.483 0 40 EDAB O=C(c1nnc2ccccc2n1)N1CCN(C(=O)c2ccco2)CC1 46088173 AEPWQHBDMQBNHG-UHFFFAOYSA-N 337.339 1.216 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(C(=O)CCCc2cc(F)ccc2F)C1 95446049 QGJLPQQKECNXBA-CYBMUJFWSA-N 346.399 1.438 0 40 EDAB Cn1ccnc1C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 96421348 QOVWRYJAYRIZEU-LLVKDONJSA-N 343.305 1.609 0 40 EDAB O=C(N1CCOCC1)N1CCN(c2ncc(Cl)cc2F)CC1 96456376 AARAMRPRDHXUBO-UHFFFAOYSA-N 328.775 1.448 0 40 EDAB COc1ccccc1S(=O)(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 96446645 SISQEHBVAJMHQT-ZDUSSCGKSA-N 335.429 1.682 0 40 EDAB C[C@@H](NC(=O)NCCC1Cc2ccccc2C1)[C@H]1CN(C)CCO1 96484983 INRZMYGEIPYBHE-RDTXWAMCSA-N 331.460 1.810 0 40 EDAB COc1cccc2c1CC[C@H]2NS(=O)(=O)c1ccc(C(=O)O)nc1 582902886 XKCUEOUJAPPWAB-CYBMUJFWSA-N 348.380 1.754 0 40 EDAB CN1CCC(Cn2c3c(ccc2=O)C[C@@H](N[C@@H]2CCOC2)CC3)CC1 96189772 YBUAQOZLFRNWJO-ZWKOTPCHSA-N 345.487 1.426 0 40 EDAB CN(C)Cc1cn2c(n1)CN(C(=O)c1ccc3c(c1)OCO3)CC2 96197168 PCRBMKZTKCAALP-UHFFFAOYSA-N 328.372 1.329 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 95478740 VLSASKSUWQIJDW-CYBMUJFWSA-N 330.436 1.641 0 40 EDAB COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(C)s2)O1 96057487 VMNMUBZKBJXHOA-BZUAXINKSA-N 338.473 1.941 0 40 EDAB O=C(NCc1ccccn1)[C@]12COC[C@H]1CN(Cc1ccsc1)C2 96110095 NJIKQYHAJFZTAL-CRAIPNDOSA-N 343.452 1.908 0 40 EDAB Cc1noc([C@H]2COC[C@H]3CN(C(=O)Cc4ccc(F)cc4)C[C@H]32)n1 96040739 ZZOMWLFNBJQVQM-BMFZPTHFSA-N 345.374 1.948 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)Cn2nc(C)cc2C)cc1 97098704 FDTPKCLOUAYWCO-AWEZNQCLSA-N 349.456 1.787 0 40 EDAB Cn1nccc1[C@@H]1NC(=O)CC[C@H]1Nc1ncnc2cccc(F)c12 583618048 XQOLDMYYPHKGCY-MLGOLLRUSA-N 340.362 1.934 0 40 EDAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@](O)(c2cnn[nH]2)C1 583617840 YFMWAVOBTINNPV-GOSISDBHSA-N 326.400 1.346 0 40 EDAB CCc1ccccc1S(=O)(=O)NC[C@H](C(=O)O)C1CCOCC1 581721888 UXRVDISXSIWJRD-AWEZNQCLSA-N 341.429 1.655 0 40 EDAB c1ccc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)nc1 96108772 FUFINLRHBJXDRK-IEBWSBKVSA-N 332.444 1.973 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 247302910 FOMHDIINCIBMAL-CYBMUJFWSA-N 338.429 1.181 0 40 EDAB Cn1ccc(CCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)n1 585085664 SRFGPBSGRNQCNW-INIZCTEOSA-N 346.818 1.706 0 40 EDAB CN(C)S(=O)(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 585091422 IDULTGIACKIUNG-OWSLCNJRSA-N 349.500 1.635 0 40 EDAB Cc1cc(OCC(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)ccc1Cl 257205875 BAXZIFMHVKBNOF-IIAWOOMASA-N 327.808 1.760 0 40 EDAB COC(=O)[C@H]1CC12CCN(S(=O)(=O)CC[C@@H]1CCCCO1)CC2 585115462 BHGWKVOPCHLIIM-UONOGXRCSA-N 345.461 1.551 0 40 EDAB CCN1CCC(N2C[C@@H](O)[C@H](Oc3ccc(C(=O)O)cc3)C2)CC1 257242185 IBKZBJMDXMWHSG-IAGOWNOFSA-N 334.416 1.293 0 40 EDAB CN(C(=O)c1cc(O)nc(O)n1)[C@H]1CCCN(c2ccccn2)C1 257238768 HMLCVLVHCAWLGS-NSHDSACASA-N 329.360 1.024 0 40 EDAB CCn1cc(CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)c(C)n1 257206998 BFUGGILZRLLQRU-IAGOWNOFSA-N 345.399 1.534 0 40 EDAB Cc1ncsc1CN1CCC[C@H](Cc2cc(C(N)=O)ncn2)C1 257249423 JIHCSCQMISWJAR-GFCCVEGCSA-N 331.445 1.795 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)CCc2cnn(C)c2C)n1 257249529 JIUHBYRLSHCQLF-OAHLLOKOSA-N 345.403 1.065 0 40 EDAB CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257240222 HSQGGFUZGVEYME-IIAWOOMASA-N 334.464 1.767 0 40 EDAB COCC(=O)NC[C@H]1CC[C@H]([C@@H](NC(C)=O)c2ccccn2)CC1 257233961 GRNCHLARWRXQRA-IIDMSEBBSA-N 333.432 1.828 0 40 EDAB COc1ccc(CN2C[C@@H]3CN(C4COC4)CCN3C(C)(C)C2)cc1 253404005 QUAODGATUACCGM-QGZVFWFLSA-N 345.487 1.674 0 40 EDAB biogenic,in-vitro CN(C)c1cccc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257219824 DIHWKMJHWNRWDJ-INIZCTEOSA-N 343.431 1.724 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCO[C@@H](c3cccc(N)n3)C2)s1 257212707 CEQAXUMJKHVXSN-CYBMUJFWSA-N 332.429 1.880 0 40 EDAB CNCCOc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 257217298 CYJXMPFAAGXATD-WMZOPIPTSA-N 334.416 1.041 0 40 EDAB CC1CC(n2nnc3c2CN(C(=O)C24CC(C(=O)O)(C2)C4)CC3)C1 1604682975 WRWJOWYOKKEBKY-UHFFFAOYSA-N 330.388 1.389 0 40 EDAB COc1cccc(S(=O)(=O)CCN2CCC[C@@H]2C(=O)N(C)C)c1 69629911 ABBVMTMOQGSKNJ-OAHLLOKOSA-N 340.445 1.022 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@]2(C(=O)O)CCC[C@@H]2C)cc1C(=O)O 1615587003 AAVGGXAKIVCVIJ-ZUZCIYMTSA-N 341.385 1.615 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)NCc1nncn1C1CC1 1615614022 DFTPRKJQVXEMAY-KRWDZBQOSA-N 327.388 1.038 0 40 EDAB COCC(=O)N1CCCc2ccc(NC(=O)N3CCNC3=O)cc21 96120151 REOYOOULPALBNJ-UHFFFAOYSA-N 332.360 1.169 0 40 EDAB CCN(Cc1ccncc1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 298354522 WZNIYBAUGUJABQ-VXGBXAGGSA-N 329.322 1.887 0 40 EDAB CN(C)CCC(=O)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 575404046 LVLLNMYLRCDUCT-GFCCVEGCSA-N 339.436 1.638 0 40 EDAB CCOC(=O)c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1 575436313 FMMQNCWSDQOPEO-UHFFFAOYSA-N 326.418 1.019 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccn1C 575404928 WAJOXOKKPUNGRN-QLFBSQMISA-N 345.443 1.419 0 40 EDAB CCN1CC[C@@]2(CN(C(=O)c3ccn(C)n3)CC(F)(F)C2)C1=O 585093300 OHEKTMZPOAWUQO-CQSZACIVSA-N 326.347 1.140 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCn2cc(CC(=O)N3CC=CC3)nc2[C@H]1C 585097106 FTERPQORKMKVTQ-UMVBOHGHSA-N 328.416 1.383 0 40 EDAB CSCC(=O)N1CCn2cc(CC(=O)N3CC=CC3)nc2[C@@H]1C 585098714 XUOGNVZOLWRQDJ-LBPRGKRZSA-N 334.445 1.090 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2ccc(C)nc2)Cc2cccn2C1 585099256 YYCPTSMPMMCGCQ-CQSZACIVSA-N 326.400 1.600 0 40 EDAB CC(C)CCN1C[C@@H]2[C@H](C1)C(=O)NC21CCN(c2cnccn2)CC1 585106257 ZGUUCARWLQGJSK-JKSUJKDBSA-N 343.475 1.540 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cccs2)[C@@H]2CCO[C@H]12 585109403 NISAHPBYMGXXEP-UMVBOHGHSA-N 346.408 1.887 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccnc(N(C)C)c1 69809062 QQQZQJCIYNYLBT-YPMHNXCESA-N 336.461 1.577 0 40 EDAB COc1ccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)cc1OC 44894096 XDOUJESZMYLJLR-VQHVLOKHSA-N 342.399 1.913 0 40 EDAB COc1cc(N2CCN(C(=O)c3scnc3C)CC2=O)ccn1 1776007969 PLFKGVDGYTZLQS-UHFFFAOYSA-N 332.385 1.344 0 40 EDAB Cn1cc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cn1 55990950 LCYJEVWCMXNBSA-UHFFFAOYSA-N 331.397 1.931 0 40 EDAB CN(C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2n2ccnc2)CC1 81476299 BFHYOKSIRORZLN-SJORKVTESA-N 348.495 1.302 0 40 EDAB CCOC(=O)c1sc(N(C)C(=O)c2ccn(C)c(=O)c2)nc1C 75136611 PCJRAWXGHWOYBV-UHFFFAOYSA-N 335.385 1.604 0 40 EDAB COc1c([C@@H]2CCCN2CC(=O)Nc2ccncc2)c(C)nn1C 75605385 ZNVLHBHLXFWATR-AWEZNQCLSA-N 329.404 1.908 0 40 EDAB O=C(NCCS(=O)(=O)NCc1ccccc1)NC1CCCCC1 60894644 QXDRYMSTBJNZNA-UHFFFAOYSA-N 339.461 1.738 0 40 EDAB CNC(=O)c1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 58402734 ROHLJCMMGSLFFX-JKSUJKDBSA-N 325.368 1.826 0 40 EDAB COC(=O)CN1CCC(N[C@H]2CCN(c3ncccc3F)C2)CC1 97085102 HZTQVSGBYTVHLW-AWEZNQCLSA-N 336.411 1.026 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 108376562 HTIUAYQXTSAXAE-NXOAAHMSSA-N 337.508 1.722 0 40 EDAB CC[C@H](NCC(=O)Nc1ccc(Br)cc1)C(=O)OC 192836326 HYLLFCMKMVUDSC-NSHDSACASA-N 329.194 1.929 0 40 EDAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc2n(C)c3ccccc3n2c1=O 12117771 WVSOOEGZOJATNO-STQMWFEESA-N 341.415 1.777 0 40 EDAB CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 12857563 IIHFDDFUKHOCOJ-UHFFFAOYSA-N 337.807 1.151 0 40 EDAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)O 12884553 BVFKRSWCZDTZRX-BWTDWFNKSA-N 348.424 1.872 0 40 EDAB biogenic O=C1[C@@H]2CCCN2S(=O)(=O)c2ccccc2N1Cc1ccccn1 13267361 UMDPNFOTDONADC-HNNXBMFYSA-N 343.408 1.782 0 40 EDAB CN1CCC[C@H](NC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@@]32C)C1 19576165 GMUNRPOIMCTCMF-OPRWKUAOSA-N 341.411 1.284 0 40 EDAB O=C(c1cncc(O)c1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888853272 LFHXTDLCTZNZEF-GFCCVEGCSA-N 340.383 1.996 0 40 EDAB Cn1ccc(C(=O)N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)n1 1888853738 BBSFBKDJFFDHLT-GFCCVEGCSA-N 327.388 1.629 0 40 EDAB CCn1cnc2c(N3C[C@H]4CN(C(=O)C5CC5)C[C@@H]4C3)ncnc21 1888866758 HUIGRNOQRCCTRK-STQMWFEESA-N 326.404 1.151 0 40 EDAB CSc1nccc(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 1889102690 RLCLDVDMORYLFF-LBPRGKRZSA-N 338.502 1.990 0 40 EDAB O=C(NC[C@H](O)c1ccccn1)c1ccc(OC2CCOCC2)nc1 240122489 WAIGIJCNQUJLRO-INIZCTEOSA-N 343.383 1.498 0 40 EDAB O=C(Cn1cncn1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 41997645 HSESFOSZYWLNJG-CQSZACIVSA-N 328.372 1.803 0 40 EDAB Cn1ccnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 303697 WLXJKZBILFEJPV-UHFFFAOYSA-N 336.442 1.800 0 40 EDAB Cn1c(=O)c2nc(SCc3ccc(F)cc3)n(C)c2n(C)c1=O 4570955 WSFHLQRDMYYRRM-UHFFFAOYSA-N 334.376 1.402 0 40 EDAB COC1(CC(=O)N2CC[C@H]3OC[C@@H](C(=O)N(C)C)C[C@H]3C2)CCC1 2055734509 FDBBLYGSUDTELZ-SOUVJXGZSA-N 338.448 1.287 0 40 EDAB Cc1cc(N2C[C@@H]3CN(c4ncnc5ncn(C)c45)C[C@H]3C2)ncn1 2086865956 CVBDCTZMBOPMDL-CHWSQXEVSA-N 336.403 1.034 0 40 EDAB Cn1cc([C@H]2CN(C(=O)c3ccc(=O)n(C)n3)Cc3ccccc32)cn1 575618197 FILJDKALWQUTBM-MRXNPFEDSA-N 349.394 1.302 0 40 EDAB COCc1cn([C@H]2CCN(C(=O)[C@H](C)Oc3ccccc3)C2)nn1 585149794 WBJNEHYKWCGTNC-ZFWWWQNUSA-N 330.388 1.665 0 40 EDAB Cc1cc([C@@H](O)CCNC(=O)C(=O)NCc2cccs2)c(C)o1 85561950 JHHMVYYBMJVZCR-AWEZNQCLSA-N 336.413 1.814 0 40 EDAB Cc1ccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)cc1C 101514760 ZXKUOLZXXZURKA-UHFFFAOYSA-N 325.372 1.914 0 40 EDAB Cc1cc(C)c(CNC(=O)Cn2c(=O)oc3ccccc32)c(=O)[nH]1 10457723 ZMLOZSHGSZVRID-UHFFFAOYSA-N 327.340 1.216 0 40 EDAB CC[C@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)c1ccccc1OC 31615549 SXLGSQCEOGNJEL-AWEZNQCLSA-N 345.399 1.580 0 40 EDAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cn1 40512530 ZWOFDVBIXWKBPL-LLVKDONJSA-N 342.355 1.183 0 40 EDAB O=C1CCCCCN1CCNS(=O)(=O)c1ccc2c(c1)CCO2 40525001 DOCCYSBHSOPOEZ-UHFFFAOYSA-N 338.429 1.302 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)NCCCN2CCOCC2)c1C 40512816 HXMMTUHGNBNDSL-UHFFFAOYSA-N 342.443 1.941 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)C1 40501564 QARDSPYCAQVUCQ-OAHLLOKOSA-N 338.477 1.176 0 40 EDAB COc1ccc(C(C)=O)cc1CS(=O)(=O)[C@@H](C)C(=O)NC1CC1 40528626 XNFZBNASOFYOME-NSHDSACASA-N 339.413 1.480 0 40 EDAB COCCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 51286007 LTOGQPWQTRPLCS-UHFFFAOYSA-N 338.448 1.867 0 40 EDAB Oc1nc(N2CCN(c3ccccn3)CC2)nnc1Cc1ccccc1 20591881 USIABCWUKQOHAH-UHFFFAOYSA-N 348.410 1.890 0 40 EDAB CC(C)c1nnc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 101114736 OEDYFKHOTIXESS-QWRGUYRKSA-N 348.428 1.941 0 40 EDAB Cc1cc(C)n2ncc(C(=O)NCCN3CCCCCC3=O)c2n1 32309977 USYUHGYTGUMQFK-UHFFFAOYSA-N 329.404 1.479 0 40 EDAB CN(CC(=O)N[C@H](C(N)=O)c1ccccc1)c1ccc(Cl)cn1 53266183 MTYTYNWOKFFAOA-HNNXBMFYSA-N 332.791 1.514 0 40 EDAB CCN(CC(=O)N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 53795949 RPQFXKBNPBARGO-UHFFFAOYSA-N 339.461 1.007 0 40 EDAB Cc1[nH]sc(=N)c1C(=O)OCC(=O)Nc1ccc(F)c(F)c1 8941457 JDVBCZNCQJAFIE-UHFFFAOYSA-N 327.312 1.938 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ncccn2)C1 1329859 JPBHRSXZQYVMAT-AWEZNQCLSA-N 340.383 1.738 0 40 EDAB Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c(C(N)=O)c1C 4155579 WKVDMNIPXXPBAD-QCZKYFFMSA-N 334.397 1.925 0 40 EDAB CCCOc1ccc(C(=O)NC(=S)Nc2nnn(CCC)n2)cc1 6593889 ORBKQDBSQWJSQE-UHFFFAOYSA-N 348.432 1.999 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1 7644939 GGJKQHVZBQSIKO-ZJUUUORDSA-N 343.221 1.857 0 40 EDAB CCOc1ccc(Cl)c(C(=O)N2CCN(c3cnccn3)CC2)n1 55164800 WFAKPBKCUNKGHA-UHFFFAOYSA-N 347.806 1.886 0 40 EDAB CCOc1ccc([C@@H](C)NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 102354039 ANTCXSHKLKSCLR-OLFNHAQQSA-N 331.368 1.917 0 40 EDAB Cc1cccc(N[C@@H]2SC(=O)N(CCN3C(=O)CCC3=O)C2=O)c1 10152158 CQXREUZWCXBOKY-CQSZACIVSA-N 347.396 1.577 0 40 EDAB COC(=O)C1=C(C(=O)c2ccco2)[C@@H](c2ccco2)n2nnnc2N1 10232502 USDBHHLIMOTKKA-GFCCVEGCSA-N 341.283 1.184 0 40 EDAB CN(Cc1ccccc1N1CCOCC1)C(=O)NCCn1ccnc1 43311590 LEESBOVAZLNALA-UHFFFAOYSA-N 343.431 1.561 0 40 EDAB C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1 106580364 CMMGOCJDAYECQM-OWCLPIDISA-N 346.475 1.796 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 106541275 XZICHYPWVZXLCR-SOUVJXGZSA-N 336.457 1.819 0 40 EDAB CCn1cnnc1SCC(=O)NC[C@H]1COc2ccccc2O1 8156093 ZJXWMGVTZUIMKT-NSHDSACASA-N 334.401 1.346 0 40 EDAB C[C@H](NC(=O)c1cccs1)C(=O)N1CCN(c2ncccn2)CC1 25078892 IGEZHFQTBHVRDC-LBPRGKRZSA-N 345.428 1.005 0 40 EDAB CCN(C(=O)Cn1cnnn1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106630809 GJZIXEKGFVRCHG-GDBMZVCRSA-N 328.420 1.357 0 40 EDAB Cc1nn2cccnc2c1C(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 107509468 JBVRCBPWSHNPHU-JYJNAYRXSA-N 339.443 1.984 0 40 EDAB CCN(Cc1ccccc1)C(=O)CNC(=O)/C=C/c1cnn(C)c1 57313481 KSBYENGOGGIOKK-MDZDMXLPSA-N 326.400 1.598 0 40 EDAB Cc1c(CC(=O)N2CCO[C@@H]3CCC[C@H]32)nnn1-c1ccccc1 57359064 VXQWOJKCQBHELA-IAGOWNOFSA-N 326.400 1.898 0 40 EDAB COC(=O)CCNC(=S)Nc1ccc(N2CCN(C)CC2)cc1 12549943 CQDJCPXGSKOZGF-UHFFFAOYSA-N 336.461 1.288 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nc2ncccn2n1 10074280 LIOYHDNQSNZHTI-WDEREUQCSA-N 348.432 1.621 0 40 EDAB CC(C)COCCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 44916921 KTVVWSXSAAXEDW-OAHLLOKOSA-N 333.432 1.609 0 40 EDAB O=C(NCCNc1cnccn1)[C@H]1COc2ccc(Cl)cc2C1 44915331 UAMFDBBHTZYOPP-GFCCVEGCSA-N 332.791 1.909 0 40 EDAB Cc1nc(C)c(CC(=O)NCc2ccc(-n3cccn3)cc2)c(=O)[nH]1 44977773 DQLSKWBMSNIRRV-UHFFFAOYSA-N 337.383 1.431 0 40 EDAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)CN1CCOCC1 44943510 RYZWYJMHNNDTQK-LBPRGKRZSA-N 346.456 1.964 0 40 EDAB CCCC(=O)NCC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 58330335 FPNABOPPDSIOCI-UHFFFAOYSA-N 334.416 1.768 0 40 EDAB CCOC(=O)C1(NC(=O)C[C@@H]2CCS(=O)(=O)C2)CCCCC1 58382016 YOQFKEFSTDDBHX-LBPRGKRZSA-N 331.434 1.193 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)[C@@H]2Cc3ccccc3O2)cc1F 12769208 KVHXNAMKSATLFS-KRWDZBQOSA-N 342.370 1.984 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(C(C)(C)C)nn2C)C[C@@H]1N1CCOCC1 84736026 JUBBPSOSNFOZTD-ZBFHGGJFSA-N 348.491 1.900 0 40 EDAB Cn1cc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c2ccccc21 29192019 ABFJUICHJFHKGC-LBPRGKRZSA-N 335.429 1.332 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N[C@H](C)c1nnc2n1CCCCC2 29255987 QPNRWODAHYJACS-GFCCVEGCSA-N 330.436 1.775 0 40 EDAB CN(C)C[C@@H]1C[C@@H]2CN([C@H]3CCOC3)CC[C@@H]2N1c1nccs1 107203052 GFUPWYIPEOIFLO-UGUYLWEFSA-N 336.505 1.763 0 40 EDAB CN(Cc1ccccc1N1CCOCC1)Cc1nnnn1C1CC1 36811209 MKOBPXHOLRBUAM-UHFFFAOYSA-N 328.420 1.477 0 40 EDAB O=C([C@H]1CCCN(Cc2nc(-c3ccco3)no2)C1)N1CCOCC1 48340648 GGWDRMYYPZZPNY-ZDUSSCGKSA-N 346.387 1.400 0 40 EDAB O=C(NCCNc1ncccn1)NC[C@H](O)c1ccc(F)cc1F 46499628 DYQYZDHTDQTRLV-ZDUSSCGKSA-N 337.330 1.200 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CCO1 96005571 UAVBPUXAZIUCAE-NSHDSACASA-N 331.294 1.684 0 40 EDAB CC(C)NC(=O)COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 6150312 HXFXMTGBFWNASG-OAHLLOKOSA-N 332.400 1.145 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCc1ccccc1 6255965 HTZHHNGJLNGKFG-HNNXBMFYSA-N 334.416 1.439 0 40 EDAB Cc1nn(CC(=O)N[C@@H]2CCc3nccn3C2)c(=O)c2ccccc12 65473470 MPTKPYNALXAVPC-CYBMUJFWSA-N 337.383 1.033 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)NCc3cc[nH]n3)cn2)C[C@@H](C)O1 65405134 JLVLEUMEJADCLJ-TXEJJXNPSA-N 330.392 1.740 0 40 EDAB CN(C)C(=O)Sc1cccc(NS(=O)(=O)c2cnn(C)c2)c1 65518955 GPVLZPPLWYYRJO-UHFFFAOYSA-N 340.430 1.995 0 40 EDAB CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1F 65537424 QYLKFBCSTVKNOD-ZYHUDNBSSA-N 346.449 1.804 0 40 EDAB COC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(Cl)cc2)c1 14166547 ILDISWMMKQOBLM-UHFFFAOYSA-N 334.759 1.605 0 40 EDAB O=S1(=O)CC[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 4505455 MINBKYIGERUEJW-ZETCQYMHSA-N 344.241 1.459 0 40 EDAB COC[C@]1(C)NC(=O)N(CC(=O)N(Cc2ccccc2)C2CC2)C1=O 66082911 RPEYIQOAJHIZQK-SFHVURJKSA-N 345.399 1.135 0 40 EDAB CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)n1 95447328 VPTFRUFPWCQOCE-DGCLKSJQSA-N 344.406 1.926 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)Cc1n[nH]c(=O)c2ccccc12 9314627 AQXDKXRZXGRPBV-AWEZNQCLSA-N 331.372 1.170 0 40 EDAB CC(=O)N1CCC(NS(=O)(=O)C2=Cc3ccccc3CC2)CC1 14806115 UIRSJNZNVUACOZ-UHFFFAOYSA-N 334.441 1.904 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)Cc2cn3ccsc3n2)C1 5988227 HXFNUWNTKCFGFN-VXGBXAGGSA-N 335.429 1.986 0 40 EDAB O=S1(=O)N[C@@H](Cc2ccc3c(c2)OCO3)[C@H](O)c2ccccc21 9483162 HLYJFIKEMXFAJO-BLLLJJGKSA-N 333.365 1.352 0 40 EDAB Cc1ccccc1N1CCN(C(=O)c2cccnc2-n2cncn2)CC1 42655619 FYLJCKMHTKQDAB-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB CS(=O)(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1 8038054 NFWVYFWYGIUMNR-LBPRGKRZSA-N 345.467 1.812 0 40 EDAB NC(=O)c1cc(Cl)ccc1OCn1nnc2ccccc2c1=O 16662286 SLWTYIIBYBFGFN-UHFFFAOYSA-N 330.731 1.580 0 40 EDAB CN(C)C1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 71846634 UMBLLCOWHKMKEX-UHFFFAOYSA-N 329.444 1.909 0 40 EDAB Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)N(C)CC(N)=O)cc12 71829202 GVBXMPWCLIRMSU-UHFFFAOYSA-N 341.346 1.425 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCC(CC(=O)N2CCCC2)CC1 71812648 JULDPBGOTAVAPR-SFHVURJKSA-N 329.444 1.938 0 40 EDAB O=C(NC1CC1)[C@@H](NCC1CCN(CCO)CC1)c1ccc(F)cc1 71870947 ZDTMPLCTTYWVPE-SFHVURJKSA-N 349.450 1.439 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccc(-n2cccn2)cc1 71829558 JJDCGSBDIOOZRI-HIFRSBDPSA-N 326.400 1.527 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 71832781 GOVGCXPWFJLGFM-MRXNPFEDSA-N 335.835 2.000 0 40 EDAB C[C@H](O)CN1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 70016276 WMTSWTLDWVURBA-LBPRGKRZSA-N 336.819 1.641 0 40 EDAB CCN(CC)C(=O)CCNC(=O)[C@@H](C)NC(=O)CC1CCCCC1 69421076 XNVIMUOQIATETB-CQSZACIVSA-N 339.480 1.836 0 40 EDAB CC(C)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 69459184 ALDARQYNQJZBIH-ZDUSSCGKSA-N 328.409 1.751 0 40 EDAB Cn1ccnc1CN1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 69452797 LOSZJWZRRRXCNQ-MRXNPFEDSA-N 348.422 1.117 0 40 EDAB O=C1CC[C@H](NS(=O)(=O)Cc2c(Cl)cccc2Cl)CN1 71909468 FWXRVFAQPYPUNT-QMMMGPOBSA-N 337.228 1.691 0 40 EDAB Cc1cnn(C[C@H]2CN(C[C@H](O)COCc3ccccc3)CCO2)c1 69515353 OWFNKQBFJFLYEF-RBUKOAKNSA-N 345.443 1.470 0 40 EDAB Cc1cccc(NC(=O)CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)n1 69615778 LKGGNBHFVXKTTI-LLVKDONJSA-N 344.337 1.424 0 40 EDAB CN1C(=O)C(=C2C[C@H](c3ccc(Cl)cc3)NN2)C(=O)N(C)C1=O 8511923 DCUZLMUDNWZWNW-SNVBAGLBSA-N 334.763 1.184 0 40 EDAB c1cc(CN2CCN(C[C@H]3CCCO3)CC2)nc(N2CCCC2)n1 22863186 XBWGYCSWLWDOOC-QGZVFWFLSA-N 331.464 1.373 0 40 EDAB CCc1ccccc1N1C(=O)C[C@H](N2CCC(C(N)=O)CC2)C1=O 18244421 NKQYJKROSKLLMJ-HNNXBMFYSA-N 329.400 1.078 0 40 EDAB Cc1nc(C)n(C[C@H]2CN([C@@H](C)C(=O)NC3CCCCC3)CCO2)n1 72253414 XYRVMEYOUCCVFL-SUMWQHHRSA-N 349.479 1.433 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N1CCCC[C@@H]1CN1CCCC1=O 72278010 VMIXTWYZLNWECF-HUUCEWRRSA-N 333.436 1.458 0 40 EDAB CC(C)OC(=O)CNC(=O)Nc1cccc(Cn2cccnc2=O)c1 72275171 BYAYWWOIYCYEAK-UHFFFAOYSA-N 344.371 1.365 0 40 EDAB C[C@H]1Oc2c(cccc2C(=O)N2CCC[C@@H](n3cncn3)C2)NC1=O 72235132 KIKOCTLEBYWHOA-VXGBXAGGSA-N 341.371 1.475 0 40 EDAB CCOCCNS(=O)(=O)c1ccc(Br)cc1F 97163098 VJJXZGXRUOHVBC-UHFFFAOYSA-N 326.187 1.903 0 40 EDAB Cn1c(=O)c(CN2C(=O)NC3(CCCC3)C2=O)nc2cc(F)ccc21 97201059 JKRXMWCVJGABDX-UHFFFAOYSA-N 344.346 1.437 0 40 EDAB CC(C)C[C@H](CO)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 95975716 KJPGDFVLMQLZKC-CQSZACIVSA-N 340.445 1.363 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3cc(C)nn3C)CC2)cc1 95953138 UEJUZBIOBSJHEA-UHFFFAOYSA-N 328.416 1.695 0 40 EDAB CCn1nc(C)c(CN2CCC(n3cc(C(=O)OC)nn3)CC2)c1C 97376902 CVYQVNYOVKKNIK-UHFFFAOYSA-N 346.435 1.735 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)c3nncn3C)C2)cc1 95997253 SIOAIBFCMHVPDP-HNNXBMFYSA-N 341.415 1.639 0 40 EDAB CC(C)NC(=O)CNC(=O)N1CCN([C@H](C)c2ccsc2)CC1 95943211 VJLGHCUCYVXFGG-CYBMUJFWSA-N 338.477 1.661 0 40 EDAB CCOC(=O)c1c(N)sc2c1CCN(C(=O)c1nccn1C)C2 95964107 JGNILQMVTUQAJY-UHFFFAOYSA-N 334.401 1.439 0 40 EDAB CNS(=O)(=O)c1csc(C(=O)NCc2ccc(C)n2C)c1 75093709 XJQRJFILRZVZIO-UHFFFAOYSA-N 327.431 1.233 0 40 EDAB Cc1nc(C)c(CNS(=O)(=O)c2cc(Cl)cnc2N)s1 89559247 VIORDQZIMSRPBY-UHFFFAOYSA-N 332.838 1.869 0 40 EDAB CN(C)c1ncc(CNC(=O)[C@@H]2CSc3ccccc3O2)n1C 75138501 ARNXNBBYNDTSDB-ZDUSSCGKSA-N 332.429 1.656 0 40 EDAB O=C1NC[C@@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)N1 89782981 PPVYZNYHHDRAHU-AWEZNQCLSA-N 331.322 1.852 0 40 EDAB CC(C)[C@@H](NC(=O)c1scnc1C1CC1)C(=O)N1CCOCC1 89823925 VOFKSPWYXQPYTD-GFCCVEGCSA-N 337.445 1.634 0 40 EDAB O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1ccncc1Cl 89878928 JWAGHHPZKYZKHY-NSHDSACASA-N 330.775 1.775 0 40 EDAB C[C@@H]1CCCN(CCCNC(=O)NCc2nnc3ccccn23)C1 89929798 USURIPHDQOGZTA-CQSZACIVSA-N 330.436 1.651 0 40 EDAB NC(=O)C(=O)c1cn(CC(=O)NCc2ccccc2)c2ccccc12 408569076 IQLCWTIWPHARRN-UHFFFAOYSA-N 335.363 1.626 0 40 EDAB CC(C)NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408702231 AINUTZDSEBBVOV-NSHDSACASA-N 342.417 1.137 0 40 EDAB CCN1CCN(C(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 22522554 JURMSVAATBILMQ-UHFFFAOYSA-N 345.852 1.489 0 40 EDAB COc1cccc(C(=O)Nc2nn(C)c3c2C[C@@H](C)C(=O)N3)c1OC 35597727 FPALRPYYTRLYTJ-SECBINFHSA-N 344.371 1.820 0 40 EDAB CCC[C@](C)(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OC 32788621 UNDAVCFEFMZVBH-HNNXBMFYSA-N 342.417 1.655 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)NC2CCN(C)CC2)ccc1F 69717415 DUHOFGFMEKQFLO-UHFFFAOYSA-N 333.371 1.326 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 409299493 ZYYVRJIQRXHSBZ-VWPFQQQWSA-N 347.754 1.716 0 40 EDAB Cn1ccnc1CN1CCC[C@](CCCc2ccccn2)(C(N)=O)C1 72367263 LLRHAWZUUHAOPG-IBGZPJMESA-N 341.459 1.906 0 40 EDAB CN1CCN(c2ccc(NS(=O)(=O)c3cccnc3)cc2)CC1 78773313 IVIZQCPKGAPDSZ-UHFFFAOYSA-N 332.429 1.634 0 40 EDAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1F 77844674 CYPOXXCMALCNGD-AYVTZFPOSA-N 332.322 1.956 0 40 EDAB Cc1cc(Br)cc(S(=O)(=O)NCc2cnn(C)c2)c1 187052940 DDZOKDDHJNDYRY-UHFFFAOYSA-N 344.234 1.970 0 40 EDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCCCOC(C)C 225883557 HWGMSSYRECVHNL-UHFFFAOYSA-N 349.478 1.392 0 40 EDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)NCc3ccccc3)C2)n1 225406827 MXWQZIWTOSWKPF-OAHLLOKOSA-N 341.415 1.906 0 40 EDAB O=C(c1c[nH]c(=O)[nH]1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 238874933 NUPPYNADOSDEBY-VIFPVBQESA-N 342.277 1.410 0 40 EDAB COC(=O)[C@@H](CNC(=O)Cn1nc(C)cc1C)Cc1ccc(C)cc1 69701947 GAGMHJQWPNVRAF-QGZVFWFLSA-N 343.427 1.956 0 40 EDAB CNC(=O)NC1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 571176116 SLSKGGOHQYIFGR-KRWDZBQOSA-N 332.448 1.285 0 40 EDAB COc1ccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cc1 224154673 UATWRMSPKXDAFA-UHFFFAOYSA-N 348.428 1.564 0 40 EDAB COC(=O)[C@@H](NCc1cnc2ccc(Br)cn12)[C@H](C)O 191021064 SBEKGFJGNLQVTD-UFBFGSQYSA-N 342.193 1.109 0 40 EDAB CCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N(C)C)oc1C 84524711 GAJNBVAODGDKDV-UHFFFAOYSA-N 342.339 1.863 0 40 EDAB CN(Cc1cccs1)C(=O)Cn1ccnc1CN1CCOCC1 585123051 RYMZZPDTJCSSAU-UHFFFAOYSA-N 334.445 1.435 0 40 EDAB CCS(=O)(=O)NCCCN[C@@H]1CCCOc2cc(F)ccc21 195557637 JRXGSVJYCJWOMG-CQSZACIVSA-N 330.425 1.958 0 40 EDAB CCOC(=O)[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H](O)c1ccncc1 585128596 HEWRVIXQQGMKFY-LZDZAVHKSA-N 346.427 1.989 0 40 EDAB O=C(CN1CCC[C@](O)(c2cnn[nH]2)C1)NCc1ccc(Cl)cc1 583617974 PLEBCAGKTIVLPN-MRXNPFEDSA-N 349.822 1.058 0 40 EDAB CCOC(=O)c1n[nH]c([C@@H](C)NS(=O)(=O)Cc2ccccc2)n1 585115118 NAXPQTXTEAYTOZ-SNVBAGLBSA-N 338.389 1.162 0 40 EDAB CCOc1c(F)cccc1C(=O)N1CCC[C@@](O)(c2cnn[nH]2)C1 583618896 BVDXJWXOOXUZBG-INIZCTEOSA-N 334.351 1.466 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 583616298 CZFAXROQSYMJKT-OAGGEKHMSA-N 325.430 1.546 0 40 EDAB CN1CC[C@H](CNC(=O)c2cnc(-c3ncccn3)s2)CC1=O 578522891 BHVWCWAKERRKGH-JTQLQIEISA-N 331.401 1.198 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)Cc1ccc3c(c1)CCO3)CC2 97198960 DNJZMCYVGODIBJ-AWEZNQCLSA-N 326.400 1.449 0 40 EDAB Nc1noc(CCNC(=O)CCc2ccc(Br)cc2)n1 96452101 XHSRAOWDLIQNIV-UHFFFAOYSA-N 339.193 1.706 0 40 EDAB Cn1cnc(-c2nc(C(=O)NC[C@H]3CCCO3)c3ccccn23)c1 96154983 QXVHFTBKWNEFAX-GFCCVEGCSA-N 325.372 1.644 0 40 EDAB CN(C)C(=O)CO[C@@H]1COC2(CCN(Cc3ccsc3)CC2)C1 96047819 LZPQPBZJWLNIPD-HNNXBMFYSA-N 338.473 1.976 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 96487394 CHFIZKUWBKSQEW-QWHCGFSZSA-N 330.837 1.594 0 40 EDAB O=C(NCc1cccnc1)N1CCc2ncnc(NC3CC3)c2CC1 96255485 XECUZBCAVJZCNC-UHFFFAOYSA-N 338.415 1.756 0 40 EDAB CN(C)CCO[C@H]1CN(C(=O)NCc2ccccc2)[C@@H]2COC[C@@H]21 96185002 FANUPJSFAIYKJK-BBWFWOEESA-N 333.432 1.174 0 40 EDAB Cn1nnnc1-c1cccc(S(=O)(=O)NCc2ccccc2F)c1 96427618 NZEMDJYSPQIDRT-UHFFFAOYSA-N 347.375 1.495 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2)c1ccsc1 96206054 IRGPEZQJBINNQT-WBMJQRKESA-N 348.403 1.560 0 40 EDAB Cc1occc1C(=O)N1CCC2(CC1)C[C@H](NC(=O)N(C)C)CO2 96220707 RPUUBBYPFAQODS-ZDUSSCGKSA-N 335.404 1.623 0 40 EDAB Cc1ccc(C(=O)N2CCc3c(CNS(C)(=O)=O)cncc3C2)o1 96189484 RNNLTSUIEVLDPS-UHFFFAOYSA-N 349.412 1.231 0 40 EDAB CO[C@H]1CO[C@]2(CCCN(C(=O)c3nn(C)c4ccccc34)C2)C1 96073509 IRLAAGRDIRSDCE-FZKQIMNGSA-N 329.400 1.983 0 40 EDAB COc1cc(N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)ncn1 96108995 HNBSUCLCNFRLNG-KDOFPFPSSA-N 342.399 1.550 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC2)cc1Br 96428062 MPOJMTKZALKAOR-VIFPVBQESA-N 347.234 1.314 0 40 EDAB CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1cc(=O)c2ccccc2n1C 585089388 JEFPKHOEHFAZQM-VXGBXAGGSA-N 330.384 1.856 0 40 EDAB COc1ccc(CCc2n[nH]/c(=N\C(=O)c3ccco3)[nH]2)cc1OC 95477646 HNAZHIXORYMORE-UHFFFAOYSA-N 342.355 1.874 0 40 EDAB O=C(N[C@@H]1CCCn2ncnc21)N1CCO[C@H](Cc2ccccc2)C1 96494019 SRMFQPZMTTVIFZ-HZPDHXFCSA-N 341.415 1.766 0 40 EDAB C[C@H]1N(CC2CC2)C(=O)COC12CCN(Cc1nccn1C)CC2 96201562 APOSXZOCFLRESZ-CQSZACIVSA-N 332.448 1.412 0 40 EDAB CC(=O)N1CCN(Cc2ccccc2OC(C)C)C[C@H]1C(=O)N(C)C 257268571 MMGOYSIWKIUYLW-KRWDZBQOSA-N 347.459 1.595 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1CC1(O)CCOCC1 257300158 RTDQJOSINKJQMC-MRXNPFEDSA-N 348.447 1.100 0 40 EDAB CCOc1ccc(CN2CCN(C(C)=O)C[C@H](C(=O)N(C)C)C2)cc1 257277708 NZBRYLHQKPQEFG-QGZVFWFLSA-N 347.459 1.454 0 40 EDAB O=C(CCc1ccccc1)NC[C@]1(O)CCCN(c2ncccn2)C1 257222420 DTFBEUVWZOENKW-LJQANCHMSA-N 340.427 1.557 0 40 EDAB C[C@@]1(NC(=O)c2ccc(Cc3ccccc3)nc2)CCS(=O)(=O)C1 257323537 WKSYPNYYIZTTFU-GOSISDBHSA-N 344.436 1.979 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@H](c2nccnc2N(C)C)C1 257281500 OPMRXYTVVXKMDB-NSHDSACASA-N 348.432 1.170 0 40 EDAB Cc1cccc2nc(C(=O)N3CC[C@@](O)(CN4CCCC4)C3)cn12 257224591 FCLBXJQPCDLWLQ-GOSISDBHSA-N 328.416 1.316 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)cc1 257295439 QYHBLPCRQRHLSK-IBGZPJMESA-N 340.427 1.889 0 40 EDAB CCc1nccn1CC(=O)N1CCNC[C@H]1c1ccccc1OC 257278770 ODPWMSKOFJQVNT-HNNXBMFYSA-N 328.416 1.627 0 40 EDAB CCc1cc(NC(=O)C(=O)N2CCC(c3cnn(C)c3)CC2)no1 607001255 ISJQTYDPJVRWCA-UHFFFAOYSA-N 331.376 1.315 0 40 EDAB CSCc1ccc(NC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 1616035096 QQYIRRJVEULWRT-INIZCTEOSA-N 348.428 1.756 0 40 EDAB CSCC(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@@H]1C 585098209 SABKCQHSINUKHF-NSHDSACASA-N 336.461 1.361 0 40 EDAB Cc1ccc(OC[C@]2(O)CCN(C(=O)CCc3cnn(C)c3)C2)cc1 585272718 PYNYRKMBSQJULR-IBGZPJMESA-N 343.427 1.704 0 40 EDAB COCc1nnc2n1CCN(C(=O)Cc1ccc(C)cc1)[C@H](C)C2 585097773 OJVJEULHXJLZHI-CQSZACIVSA-N 328.416 1.749 0 40 EDAB CCOCCO[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 65613015 KDAVVLLDIUNHML-PBHICJAKSA-N 348.443 1.434 0 40 EDAB C[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccncc1 29433670 LJWOKAZJFYSYNT-BLLLJJGKSA-N 337.383 1.379 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2Cc2cccc(OCC(N)=O)c2)c1 70039857 FSQSXHFGOZLVKA-INIZCTEOSA-N 328.416 1.720 0 40 EDAB O=C(Cc1ccco1)N1CCC[C@H]1CN=c1ccc2ncc[nH]c-2n1 1064943343 XILBOCNJFJBWSK-ZDUSSCGKSA-N 337.383 1.637 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)N1CCN(c2ncccn2)CC1 44971240 HFBYJFOZGIYNKT-CQSZACIVSA-N 341.419 1.119 0 40 EDAB O=C(CN1CCSC1=O)N1CCC[C@H](c2nnc3ccccn23)C1 48302895 UMIAIPXMXBCEFF-LBPRGKRZSA-N 345.428 1.604 0 40 EDAB CN(CCc1ccccc1F)Cc1nc(CS(C)(=O)=O)no1 75720340 PYCYSTJKGSKGPQ-UHFFFAOYSA-N 327.381 1.428 0 40 EDAB O=C(CN1CCCS1(=O)=O)N1CCCC[C@H]1Cc1ccccc1 78979494 NVLBYAZEASKXDE-INIZCTEOSA-N 336.457 1.646 0 40 EDAB CCOc1ncccc1C(=O)NCCC(=O)NCc1cccnc1 58420963 UBLJYJRGBMJMPP-UHFFFAOYSA-N 328.372 1.312 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)O)c(Cl)c1 547873361 WTBAHJXCZATKDY-JQWIXIFHSA-N 347.820 1.807 0 40 EDAB CN1CC[C@@H](CNS(=O)(=O)N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 95447192 UKAFSTVGRLJOCD-FZMZJTMJSA-N 349.859 1.868 0 40 EDAB Cc1cncnc1N1C[C@@H]2CN(c3cc(=O)n4ccccc4n3)C[C@@H]2C1 585616627 MLEYQOOMUVQEPC-GASCZTMLSA-N 348.410 1.366 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 12239423 FDCSEPBKHQVEFB-DZGCQCFKSA-N 341.411 1.406 0 40 EDAB COC(=O)Cc1nc2c(C)nn(-c3ccccc3)c2nc1C(=O)OC 16266299 FUCDEQUYDRSLRI-UHFFFAOYSA-N 340.339 1.626 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccncc1 19462251 OFUZMSPHWLQYJZ-WDEREUQCSA-N 347.396 1.841 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H](C1)C2O 169804880 BGRGPWUWODMPRE-IUCAKERBSA-N 338.326 1.235 0 40 EDAB Cc1cc2c(cc1C)C(=O)NC[C@H](C(=O)NCc1cccnc1)O2 19125077 ZGECPAODEYDUNF-MRXNPFEDSA-N 325.368 1.506 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCC1CCN([C@H]2CCOC2)CC1 575606565 KPNIHJVKPJYDSL-AWEZNQCLSA-N 343.449 1.071 0 40 EDAB CCCC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 25610224 YYOXFOSQXMGZOS-UHFFFAOYSA-N 329.422 1.315 0 40 EDAB Cn1nc(C2CCN(c3ncc(Cl)cn3)CC2)n(C2CC2)c1=O 1888853179 KCPUIHLGDOKRRX-UHFFFAOYSA-N 334.811 1.744 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)[C@@H]2CCOC2)C3)nc1 1888859587 ZUBCVXGSPROUGJ-RVKKMQEKSA-N 331.416 1.829 0 40 EDAB c1cnn(-c2ccc(N3CCN(c4cc(C5CC5)ncn4)CC3)nn2)c1 1888899277 GKNSQEYBZBYGBE-UHFFFAOYSA-N 348.414 1.656 0 40 EDAB CCOc1ccc2nnc(CNC(=O)COc3ccc(F)cc3)n2n1 245170840 XIOOTEBFGVLUFG-UHFFFAOYSA-N 345.334 1.357 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)[C@H]4[C@H]5COC[C@H]54)C[C@H]3C2)cs1 1565542785 RWYJBOHVYMJNSV-CEGJGDEGSA-N 333.457 1.234 0 40 EDAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)C3CC(C)C3)CC[C@@H]21 1565549229 OKUUGZPSXIOJNV-VXCBZECXSA-N 345.447 1.162 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)n1 1565542005 AAVYCWQLKCIRNF-MRXNPFEDSA-N 345.428 1.536 0 40 EDAB CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(SCC(N)=O)N2C1=O 424870 MLGIVKCHZUKEFG-ZANVPECISA-N 330.413 1.910 0 40 EDAB Cc1ccc(C2=NN(C(=O)CNCCO)[C@H](c3ccco3)C2)cc1 4247970 REQPAAYTOPOCGS-INIZCTEOSA-N 327.384 1.848 0 40 EDAB CCOc1ccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@@H]2C(=O)OC)cc1 4632252 JFJIGPZKTYYUGM-XUWXXGDYSA-N 346.383 1.742 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@H]3CC2)cn1 2055746169 UIBUUSNFKPMBCL-ROUUACIJSA-N 346.475 1.257 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)N1CC[C@H](N2C(=O)CSC2=O)C1 217787288 FIISPLKYSZUEGQ-JTQLQIEISA-N 349.368 1.717 0 40 EDAB O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)c1ccccn1 217979355 LTRXKKNLGNKXSW-AWEZNQCLSA-N 325.324 1.532 0 40 EDAB O=C(NC[C@@H](c1ccco1)c1cccs1)C(=O)Nc1ccon1 585146800 RAIUPZIXECVNRI-JTQLQIEISA-N 331.353 2.216 0 40 EDAB CSC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1C 75157339 BEVPCXQZZFUDDA-AWEZNQCLSA-N 330.837 1.817 0 40 EDAB Cc1cccc2c1NC(=O)[C@@]21N[C@H](C)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 229666480 DHPOEPXCIQUBMS-VHAYYPGBSA-N 341.411 1.534 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)CCC(=O)c2ccccc2)CC1 10415582 GTYUBTFYYLKJAA-UHFFFAOYSA-N 338.429 1.190 0 40 EDAB CCOC(=O)CN(C(=O)CN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 40007857 WBQQVOPACILGDJ-GJZGRUSLSA-N 334.416 1.692 0 40 EDAB CCN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccco1 30275656 OOLUQWIXJBXZMG-MRXNPFEDSA-N 343.383 1.381 0 40 EDAB O=C(CCNC(=O)c1ccoc1)NCc1cccnc1-n1cccn1 31226497 CXUXNIIIJKINNY-UHFFFAOYSA-N 339.355 1.297 0 40 EDAB C/C(NCCCN(C)C)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 20331818 CRNXSTKXQQQEIP-FYWRMAATSA-N 344.415 1.393 0 40 EDAB COc1ccc(-c2nnc(CN3CCCN(C(C)=O)CC3)o2)cc1 40477320 FELZTEFGMACSDG-UHFFFAOYSA-N 330.388 1.799 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2cccnc2)CC1 40481027 YDNUJIKZYBFKNW-SFHVURJKSA-N 339.395 1.566 0 40 EDAB COc1c(C)cnc(CNS(=O)(=O)N2CCCCCC2)c1C 51162738 YTRNHBOAYSSCNZ-UHFFFAOYSA-N 327.450 1.917 0 40 EDAB CNC(=O)C1(NC(=O)c2ccc(S(C)(=O)=O)cc2)CCCCC1 40554092 CRNLUVAQHVJOGP-UHFFFAOYSA-N 338.429 1.269 0 40 EDAB C[C@H]1NC(C(=O)NCc2cccs2)=NN(c2ccccc2)C1=O 32671953 VZCNTDGKCIAPLM-LLVKDONJSA-N 328.397 1.703 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nnc(C2CC2)s1 102296450 CCLBNQZAWDNGCS-PHIMTYICSA-N 346.412 1.695 0 40 EDAB CC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)s1 32776561 BOEFVEXNSILWHO-UHFFFAOYSA-N 346.364 1.845 0 40 EDAB Cc1nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)sc1C 32827259 KUJRXAJEPLJPRU-UHFFFAOYSA-N 329.403 1.856 0 40 EDAB O=S(=O)(NCCCOC[C@H]1CCCO1)c1cc(F)ccc1F 52782958 ZIVLYUBMSKFBOL-GFCCVEGCSA-N 335.372 1.829 0 40 EDAB CCN1CCN(CCCNC(=O)c2cnn(-c3ccccc3)n2)CC1 41443026 CJGWNWJHFZYTPQ-UHFFFAOYSA-N 342.447 1.025 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NOCc1ccccc1 102908856 STKSMOOLXKQMJP-DARAHFNDSA-N 326.352 1.042 0 40 EDAB CC(C)[C@H](NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)C(=O)O 33520821 XHDJVSKQHDFYSX-ABAIWWIYSA-N 334.372 1.416 0 40 EDAB O=S(=O)(NCCOC[C@@H]1CCOC1)N1CCC[C@H]1c1ccco1 78880840 FFOZRTKEGKRGHX-KGLIPLIRSA-N 344.433 1.304 0 40 EDAB CCNC(=O)c1cccc(CNC(=O)c2ccc(NC=O)cc2)c1 78903053 NFOSPMRQFKPADI-UHFFFAOYSA-N 325.368 1.935 0 40 EDAB COC(=O)c1c(COC(=O)NC(C)C)c2n(c1C)CS(=O)(=O)C2 1589101 OHSIEGUJCSFVMP-UHFFFAOYSA-N 344.389 1.104 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NCc2cccc(F)c2)[C@@H]1c1cnn(C)c1 79359247 XECANHAETOJLQZ-RDJZCZTQSA-N 344.390 1.785 0 40 EDAB CN(C)c1ccc(NC(=O)C[C@H](NC[C@@H]2CCCO2)C(=O)O)cc1 2482653 FPTFIGQANAMRRC-GJZGRUSLSA-N 335.404 1.303 0 40 EDAB O=C1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2N1 3109913 XNAXAYNDHWKWKW-UHFFFAOYSA-N 349.346 1.658 0 40 EDAB Cc1csc(=O)n1CC(=O)OCC(=O)NC1CCC(C)CC1 23292836 QKQRSKUFMXYQKB-UHFFFAOYSA-N 326.418 1.456 0 40 EDAB CCOC(=O)C(=O)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F 4009338 LNXAVOWXGKOTCN-ZDUSSCGKSA-N 336.310 1.969 0 40 EDAB COC(=O)[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 42646881 QRSLWSSEZQBIRO-GOEBONIOSA-N 344.411 1.902 0 40 EDAB Cc1noc(C2CCN(C(=O)NCCNC(=O)c3ccco3)CC2)n1 61859683 XQEWZULSAWNFAX-UHFFFAOYSA-N 347.375 1.290 0 40 EDAB CCN(CC)CCn1c(NC(=O)CNC(=O)OC)nc2ccccc21 54901472 PWZRGMIZCNQGRN-UHFFFAOYSA-N 347.419 1.673 0 40 EDAB O=S(=O)(NCCN1CCCCCC1)c1ccc2c(c1)OCCO2 24682826 GGMMBJNFINKZCO-UHFFFAOYSA-N 340.445 1.612 0 40 EDAB CC(=O)N1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 24986862 WBUCLKZRLUXTDL-UHFFFAOYSA-N 327.384 1.965 0 40 EDAB C[C@H]1CCCCN1CCCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 106621739 GZIPETSFKKDJQI-RRFJBIMHSA-N 333.498 1.195 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCOC2)cc1 56130254 PGZUTBJKKPZSSL-GFCCVEGCSA-N 327.402 1.568 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)N1CCO[C@H]2CCC[C@H]21 56193894 VGGQDWBHRMTWDU-WBVHZDCISA-N 327.384 1.567 0 40 EDAB C[C@H](OC(=O)c1nccnc1N)C(=O)N1c2ccccc2CC[C@H]1C 43839585 XCCYKGNXSOUAOH-NEPJUHHUSA-N 340.383 1.972 0 40 EDAB CN(C)c1cc(CNC(=O)NCCC(=O)NC2CCCCC2)ccn1 57176707 NKDBQFHISYOOTJ-UHFFFAOYSA-N 347.463 1.786 0 40 EDAB CS[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](c1cnn(C)c1)N(C)C 108084168 RMMPIGQFACDYFV-SOUVJXGZSA-N 339.509 1.996 0 40 EDAB CCN1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC1=O 57362188 CHUGACBNIWBQFZ-AWEZNQCLSA-N 348.418 1.859 0 40 EDAB Cc1ccccc1CN1CCC(C(=O)N2CCN(C=O)CC2)CC1 9062985 AJNJKMUSOCEIRA-UHFFFAOYSA-N 329.444 1.508 0 40 EDAB CCC[C@H]1NC(=O)N(CCCS(=O)(=O)c2ccc(F)cc2)C1=O 58064901 ZWWGPOAUXWEGJS-CYBMUJFWSA-N 342.392 1.710 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(C)c(NS(C)(=O)=O)c1 58159531 BMTYQPLZLHIYDD-SNVBAGLBSA-N 342.421 1.013 0 40 EDAB Cc1cc(NC(=O)CNC(=O)c2cc[nH]n2)ccc1Br 58227304 SFJMPQRGKAQSFG-UHFFFAOYSA-N 337.177 1.849 0 40 EDAB Cc1nc(CCNC(=O)Nc2ccc(-n3cncn3)nc2)cs1 44951889 MKEMHKXATMHBDT-UHFFFAOYSA-N 329.389 1.791 0 40 EDAB C[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCO1 27881985 CIHHSONVBKSNBG-ZWNOBZJWSA-N 331.821 1.797 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 58310957 IFZQEZZGNOWOTC-LNSITVRQSA-N 332.400 1.769 0 40 EDAB O=C(CNC(=O)NCc1ccco1)Nc1cccc(-n2ccnc2)c1 58383726 ABHJYYOAUGYNHO-UHFFFAOYSA-N 339.355 1.903 0 40 EDAB COc1c(CNCCNC(=O)Cc2ccc(F)cc2)c(C)nn1C 58331275 VLZVJFLDDTYQLA-UHFFFAOYSA-N 334.395 1.325 0 40 EDAB O=C(Cn1cncn1)N1CCN(Cc2ccc(Cl)s2)CC1 45291835 PHDGAKXZKRQCHY-UHFFFAOYSA-N 325.825 1.337 0 40 EDAB CNC(=O)Cc1ccc(NC(=O)c2cnc3c(c2)c(C)nn3C)cc1 36393983 HBXVMUPKQCKXRW-UHFFFAOYSA-N 337.383 1.818 0 40 EDAB CC(C)NC(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 105134270 MPMIAASSGYLSEO-UHFFFAOYSA-N 334.401 1.145 0 40 EDAB Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(S(C)(=O)=O)[C@@H]3C2)n1 107258083 JGWNSJNZDWQWRX-IMJJTQAJSA-N 340.445 1.346 0 40 EDAB O=C1NCCCC[C@@H]1NC(=O)N1CCC[C@@H]1c1nnc2ccccn12 45668979 MARAEFIEQYGVHO-QWHCGFSZSA-N 342.403 1.245 0 40 EDAB O=S(=O)(c1ccc(F)cc1)N1CCN(C(=S)NC2CC2)CC1 3344333 WPGXGDSKHRIQGX-UHFFFAOYSA-N 343.449 1.169 0 40 EDAB O=C1C[C@H]2[C@@H](CCN2CCc2ccccc2)N1CCN1CCOCC1 107198537 OFRWNIVWSSCNIY-MOPGFXCFSA-N 343.471 1.237 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 29679682 FLEGEOZIMNJPJO-FRRDWIJNSA-N 326.437 1.585 0 40 EDAB O=C(c1ccc(N2CCOCC2)nc1)N1CCO[C@H]2CCCC[C@H]21 46494512 RJAVDVPNHNQLMY-CVEARBPZSA-N 331.416 1.702 0 40 EDAB O=C(COC(=O)c1ccc(O)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 12810257 KMCSDXQFLARHQK-UHFFFAOYSA-N 327.296 1.357 0 40 EDAB CN(Cn1nc(C(F)(F)F)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12869261 CLXGNTDULOTGTR-SSDOTTSWSA-N 344.384 1.046 0 40 EDAB CCOC(=O)[C@@H](C(N)=O)c1snnc1C(=O)Nc1ccc(C)cc1 3770887 PTFZUAFKRKGJRY-SNVBAGLBSA-N 348.384 1.231 0 40 EDAB C[C@@H](OC(=O)C=C1CCCCC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 63550610 JCQTVMNHTOYFCU-OCCSQVGLSA-N 343.445 1.454 0 40 EDAB CC(C)[C@H](C(=O)Nc1ccc(-n2cncn2)nc1)N1CCCC1=O 63987837 UYGZVOATIVXHBN-OAHLLOKOSA-N 328.376 1.248 0 40 EDAB CN(Cc1nnc2ccccn12)c1ccc(S(=O)(=O)N(C)C)cn1 95396555 VBSJMWYSKSHSHF-UHFFFAOYSA-N 346.416 1.011 0 40 EDAB CCCOc1ccc(NC(=O)NCCc2n[nH]c(=O)[nH]2)cc1Cl 96013191 HHSDRCYCMAXURY-UHFFFAOYSA-N 339.783 1.904 0 40 EDAB COCCn1c(SCC(=O)N2CCNC2=O)nc2ccccc21 4484772 XOTCSPCPKQZEMC-UHFFFAOYSA-N 334.401 1.327 0 40 EDAB Cc1ccc(NC(=O)CN2CCC[C@@H]2C(=O)N2CCSCC2)cc1 65534361 SSNOIDBEYAVGJX-MRXNPFEDSA-N 347.484 1.973 0 40 EDAB Cc1cccc(NC[C@@H]2CCN(CCC(=O)N3CCOCC3)C2)n1 65542360 WUPIQWVWHCAYSA-INIZCTEOSA-N 332.448 1.373 0 40 EDAB NC(=O)C(=O)c1cn(CC(=O)N2CCc3ccccc32)c2ccccc12 408565007 AYKMJPKBGPEYLA-UHFFFAOYSA-N 347.374 1.899 0 40 EDAB CC(=O)c1c(C)nn(C[C@H](O)CN2C(=O)c3ccccc3C2=O)c1C 6472872 CKWZNRYFXKRCGN-CYBMUJFWSA-N 341.367 1.360 0 40 EDAB CCCNC(=O)COC(=O)c1ccc2c(c1)nc(C)c(=O)n2CC 6535494 MPTQNSJKTIHPPN-UHFFFAOYSA-N 331.372 1.408 0 40 EDAB CC(C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O 6776302 DLIHIGPMDGDTNW-UHFFFAOYSA-N 341.367 1.654 0 40 EDAB COC(=O)[C@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 66607117 VNFJHHDUXCKMOX-LBPRGKRZSA-N 333.384 1.914 0 40 EDAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1ccccc1 15190340 SEEOEBBSGOZMTH-UHFFFAOYSA-N 329.400 1.948 0 40 EDAB C[C@@H](On1nnc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 9499384 YWPHPBHMJVIJNA-LLVKDONJSA-N 340.339 1.658 0 40 EDAB CN1C(=O)C[C@@H](C(=O)Nc2ccccn2)[C@@H]1c1ccc2c(c1)OCO2 95472963 IJNZFWHLMKNDSQ-PXAZEXFGSA-N 339.351 1.968 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(NC2CC2)s1 7577513 YSJIDMQIHHAEAM-UHFFFAOYSA-N 329.451 1.829 0 40 EDAB O=C(CO)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 96496675 ALTUAHXMZMBKSP-VXGBXAGGSA-N 348.296 1.181 0 40 EDAB CN1CCN(CCCNc2c(C=O)c(=O)[nH]c3ccccc23)CC1 23247826 OOLDWBZNVMRCRO-UHFFFAOYSA-N 328.416 1.390 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)COCC(=O)NCc1cccnc1 68389777 WFEIQMYHEJKFLW-AWEZNQCLSA-N 339.395 1.692 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC(N(C)C(C)=O)CC2)cc1 68577566 GZDJSQKYQWZWSB-UHFFFAOYSA-N 326.418 1.327 0 40 EDAB COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)c2ccccc12 7880469 UITNMXZCQUZOLN-NSHDSACASA-N 342.351 1.946 0 40 EDAB C[C@@H](OCC1CC1)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 71863722 WSYSVYWAPYXVQI-QAPCUYQASA-N 332.444 1.679 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2cc(C)n[nH]2)C(N)=O)cc1 71841586 QWRPHRZEADJHIS-CYBMUJFWSA-N 330.388 1.191 0 40 EDAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(c2ccccn2)CC1 71833147 XXBHADDGWNTQNO-UHFFFAOYSA-N 334.379 1.886 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N2CCN(C(C)=O)CC2)n1 71831088 IABIWWUHOPBWKT-UHFFFAOYSA-N 339.827 1.281 0 40 EDAB Cc1noc([C@H](C)N2CCN([C@H](C)C(=O)NCc3ccco3)CC2)n1 69371348 OEIIIONQFVXWDN-OLZOCXBDSA-N 347.419 1.355 0 40 EDAB Cc1ccc(-n2cnnc2SCCNS(C)(=O)=O)c(C)c1 71884068 IUTYECSJCRCBQD-UHFFFAOYSA-N 326.447 1.525 0 40 EDAB O[C@@H](CN1CCc2ccccc2C1)CN1CCC[C@@H]1Cn1cccn1 71876977 AXUTWZNECNLSQY-UXHICEINSA-N 340.471 1.767 0 40 EDAB COC(=O)[C@](C)(COc1ccccc1)NC(=O)c1ccc(=O)[nH]c1 69588273 NMMOIXGIHKBCQT-KRWDZBQOSA-N 330.340 1.115 0 40 EDAB O=S(=O)(CCN1CCCC[C@@H]1Cn1cncn1)c1ccccc1 69619099 YPAROVAVXHPOQY-OAHLLOKOSA-N 334.445 1.607 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1C[C@H](C)OC(C)(C)C1 69743302 QUWFISHEUPVORO-JTQLQIEISA-N 332.404 1.208 0 40 EDAB COC(=O)c1c(C)ccc(F)c1NS(=O)(=O)c1cn(C)c(C)n1 69709731 CRJRBIMSOINEGQ-UHFFFAOYSA-N 341.364 1.763 0 40 EDAB C[C@@H](NC(=O)NCCC(=O)N1CCCC[C@H]1C)C(=O)NC(C)(C)C 69776368 ISBNZMFIVIHCEK-CHWSQXEVSA-N 340.468 1.380 0 40 EDAB Cn1c(CCNC(=O)c2ccccc2-n2cnnn2)nc2ccccc21 69846621 DZDIXHAQDZVBJC-UHFFFAOYSA-N 347.382 1.522 0 40 EDAB COc1ccc(S[C@H](C)C(=O)Nc2c(C(N)=O)n[nH]c2C)cc1 69842122 KDGXPXZHOXRBFK-SECBINFHSA-N 334.401 1.945 0 40 EDAB c1csc(-c2noc(CCCN[C@H]3CCc4ncnn4C3)n2)c1 69928268 RBDMEPFNWYZRTD-NSHDSACASA-N 330.417 1.927 0 40 EDAB Cc1cc(Cl)ccc1OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 18231342 HUPBVMGQTIHGJS-GFCCVEGCSA-N 331.821 1.673 0 40 EDAB CC(=O)c1cc2c(cc1NC(=O)c1nccnc1C(=O)O)OCO2 9638640 PSUZLCXMYKDATN-UHFFFAOYSA-N 329.268 1.358 0 40 EDAB CC(C)(C)N1C[C@H](NC(=O)NCc2ccc3c(c2)OCO3)CC1=O 84170000 GFAYVULFDXEHJA-GFCCVEGCSA-N 333.388 1.614 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCCO 84177578 LPCQPFATFZZKKD-UHFFFAOYSA-N 348.424 1.196 0 40 EDAB COCCN1CCN(Cc2cnc(C)n2-c2ccccc2)CC1=O 97051934 SARJGOWZLHPAJI-UHFFFAOYSA-N 328.416 1.471 0 40 EDAB Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CCc4nccn4C3)C2=O)cc1 72278693 NQKAZSXSUQALNP-GDBMZVCRSA-N 338.411 1.676 0 40 EDAB Cc1cnn(CCN[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)c1 72253118 RBJVQUZUKYXBDJ-HOCLYGCPSA-N 328.416 1.810 0 40 EDAB Cc1nnc(-c2ccc(NC(=O)N[C@H](C)Cn3cncn3)cc2)o1 84291630 NCVHJMDJNUUILX-SNVBAGLBSA-N 327.348 1.847 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1ccccc1C(=O)O 72324512 XSXZPGXAWROVPX-INIZCTEOSA-N 338.363 1.631 0 40 EDAB biogenic Cn1cnc2cc(C(=O)NS(=O)(=O)CCCC(F)(F)F)ccc21 95991803 JVRCTPBNJCNNGI-UHFFFAOYSA-N 349.334 1.975 0 40 EDAB CO[C@@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 89274046 CFWMFNOZHQLTPV-JOYOIKCWSA-N 330.306 1.740 0 40 EDAB COc1ccc(C(=O)C(=O)N2CCN(c3nc(C)cs3)CC2)cc1 75134043 LFMZDNPNJDAAAT-UHFFFAOYSA-N 345.424 1.992 0 40 EDAB Cc1ccc(C(=O)O[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)cn1 89652199 OVIBGVKYLCWYOJ-LSDHHAIUSA-N 347.415 1.295 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN(CC(=O)NCc3cccs3)C2)o1 89702280 CRPJBBHZDYINLT-AWEZNQCLSA-N 348.472 1.867 0 40 EDAB CN1C(=O)N[C@](C)([C@H]2CCCN(CCOc3ccc(F)cc3)C2)C1=O 89914253 WZXUVDMZPNJBQG-SCLBCKFNSA-N 349.406 1.857 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1OC 75572320 HDDLSCUJLXGPFW-LLVKDONJSA-N 343.401 1.498 0 40 EDAB C[C@@H](c1ccc(Cl)cc1)N1CCN(CCCS(N)(=O)=O)CC1 75863393 KBVMCHZMARLQMH-ZDUSSCGKSA-N 345.896 1.697 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3ccc4nccn4c3)CCO2)n1 76046126 ORPPCRHPXJKMSW-CYBMUJFWSA-N 340.387 1.619 0 40 EDAB COCCOc1ccccc1C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1 76052168 LLKGGNGDYPBZMU-NVXWUHKLSA-N 348.443 1.505 0 40 EDAB O=C(NCCOCC1CC1)N1CCC[C@H](CN2CCOCC2)C1 69953745 PGJWDEOMEDZETL-MRXNPFEDSA-N 325.453 1.167 0 40 EDAB COCc1nc(N2CCN(C)CC2)[nH]c(=O)c1Cc1ccccc1 22448567 JUDIKQGCEGMLDA-UHFFFAOYSA-N 328.416 1.259 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)c1ccccc1F)Cc1ccccn1 548531086 PLGIRJBDLNVZAY-LLVKDONJSA-N 338.360 1.443 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1C 408605480 KIALTRYHUYHXDI-LBPRGKRZSA-N 342.461 1.975 0 40 EDAB Cc1nc(C2CCCC2)sc1C(=O)Nc1cn(C)c(=O)n(C)c1=O 74955199 ZQAYSLGZYRNBQL-UHFFFAOYSA-N 348.428 1.759 0 40 EDAB C[C@H](N)C(=O)N1CCCC[C@H]1CN(C)C(=O)OCc1ccccc1 79412811 BNZDRSONGCVXHO-HOCLYGCPSA-N 333.432 1.983 0 40 EDAB COCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 33028289 MUETWVHXRGIRJE-UHFFFAOYSA-N 326.418 1.836 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cc(C)nc([C@@H]3CCCN3C)n2)CC1 72387221 HVUJVJLFLKIGSM-INIZCTEOSA-N 345.447 1.246 0 40 EDAB OC[C@H]1O[C@@H](n2cnc3c(Oc4ccccc4)ncnc32)C[C@@H]1O 36452452 VEPXNPNNUCUROO-YNEHKIRRSA-N 328.328 1.259 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)Nc2nccs2)[C@@H]1c1cccc(F)c1 72241757 KKNSJCSBPBLYDK-QWHCGFSZSA-N 335.360 1.819 0 40 EDAB O=C(O)CCCS(=O)(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 563070924 OKTBAFGPEPBPSM-CYBMUJFWSA-N 349.355 1.533 0 40 EDAB NS(=O)(=O)c1cccnc1NCc1ccc(-n2ccnc2)cc1 79037663 JLVYYCQRDZVPFY-UHFFFAOYSA-N 329.385 1.527 0 40 EDAB CN1N=C(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)CCC1=O 40134836 OCACOBHSMUWVPD-UHFFFAOYSA-N 338.367 1.443 0 40 EDAB CN1CC(=O)N(CCCC(=O)Oc2ccc3c(c2)CCCC3=O)C1=O 78768485 LOLPLDMGLDEYAI-UHFFFAOYSA-N 344.367 1.785 0 40 EDAB CCOC[C@@H]1CN(C(=O)N[C@H](C)c2nnc3n2CCCC3)CCO1 527818077 ASBNQNCCVMOWJW-OLZOCXBDSA-N 337.424 1.122 0 40 EDAB CCOc1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)ncn1 225531942 XRDPNOFNZXZMCM-UHFFFAOYSA-N 336.373 1.499 0 40 EDAB C[C@H](C(=O)NS(=O)(=O)c1ccc(F)cc1)N(C)CC(F)(F)F 225602464 PKDVPPVLRRNNAS-MRVPVSSYSA-N 342.314 1.513 0 40 EDAB Cc1cccc(CS(=O)(=O)NCCc2nc(C(=O)O)cs2)c1 572957485 DURAEFOBJCQDHM-UHFFFAOYSA-N 340.426 1.812 0 40 EDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)c3ccccc3F)C2)nn1 225444553 TVWJHPNMHYHEMC-LBPRGKRZSA-N 330.363 1.975 0 40 EDAB Cc1ccc(O[C@@H]2CCN(C(=O)COCc3ccccc3)C2)nn1 225428937 SZJCDXKMHOKWRB-MRXNPFEDSA-N 327.384 1.982 0 40 EDAB CN=[S@@](C)(=O)c1cccc(NC(=O)COC[C@H]2CCCO2)c1 585091015 LNSIROXWKAARCC-DMZKTXOQSA-N 326.418 1.907 0 40 EDAB COC[C@]12CCCO[C@H]1CCN(S(=O)(=O)c1cccnc1)C2 96039129 DFOPDDCIEADWBR-LSDHHAIUSA-N 326.418 1.288 0 40 EDAB Cc1ccc(N2C[C@H]3OCCN(C(=O)c4cscn4)C[C@H]3C2)nn1 96219420 XUVCXIFJVJGITE-GXTWGEPZSA-N 345.428 1.219 0 40 EDAB CCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3cccc4c3OCCO4)[C@@H]2C1 96209028 BVUBPUQWBSEPLN-XHSDSOJGSA-N 346.427 1.639 0 40 EDAB CCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccc(C)cc31)C2=O 96463827 LGALRCOSJBJLOL-UHFFFAOYSA-N 325.412 1.717 0 40 EDAB biogenic Cc1nnc(N2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)s1 96218265 IMWXRRMMCTXECL-MLGOLLRUSA-N 345.428 1.011 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)C[C@@H](Oc1ccccn1)CO2 96106974 GQUDPTVTPKSBAR-CQSZACIVSA-N 340.383 1.714 0 40 EDAB CCCCNC(=O)[C@H](C)N1C[C@H](c2ccc(O)cc2)[C@@H](C(=O)OC)C1 585116468 XKSZJCCVPWCZOR-XKQJLSEDSA-N 348.443 1.885 0 40 EDAB COC(=O)N(C)CCCC(=O)N(C[C@H]1CCCO1)c1ccnnc1 585126448 ZGEGFFDYFXQKKZ-CQSZACIVSA-N 336.392 1.467 0 40 EDAB CC1(C)NC(=O)N(CC[S@@](=O)CCc2ccccc2Cl)C1=O 96448055 XEEMKTJMAMHEJP-JOCHJYFZSA-N 342.848 1.962 0 40 EDAB COc1ccc(S(=O)(=O)CCNC(=O)c2[nH]nc3c2CCC3)cc1 95474341 PFZHCTVJGYXWJP-UHFFFAOYSA-N 349.412 1.111 0 40 EDAB O=C(C1CC1)N1CC[C@@]2(COCc3cnc(NCC4CC4)nc32)C1 96244121 AIHYBTGKGJTYGT-SFHVURJKSA-N 328.416 1.709 0 40 EDAB C[C@]1(C(=O)NCCN2CCOCC2)CC(c2ccccc2F)=NO1 96192667 AGQNELKMGLPHAW-QGZVFWFLSA-N 335.379 1.157 0 40 EDAB O=C(O)Cn1cc(CCN2CC[C@@]3(CCc4ccccc4O3)C2)nn1 582015021 XFGDJHJYNMCCFD-SFHVURJKSA-N 342.399 1.375 0 40 EDAB O=C1NC2(CCN(c3ncc(F)cn3)CC2)C[C@@H]1c1cccnc1 96069571 CMYFQVQHTKDBAW-CQSZACIVSA-N 327.363 1.653 0 40 EDAB COC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)Cc2nccn2C1 96187761 XJWBWWWEWWILQS-LBPRGKRZSA-N 339.392 1.489 0 40 EDAB Cc1cc(C)n(Cc2cccc(NC(=O)NCc3ncnn3C)c2)n1 96434768 VJSRRRVBRVHOAW-UHFFFAOYSA-N 339.403 1.998 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 247304678 GEFYJERNMZTQFP-ZDUSSCGKSA-N 340.470 1.650 0 40 EDAB CS(=O)(=O)N1CC[C@H](CN[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 249275249 LUTWSSRGCYHUNZ-UTUOFQBUSA-N 328.400 1.979 0 40 EDAB Cc1cc(CCNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc(C)c1O 249392546 BTFQDDOGGOQPQY-UJHHCITNSA-N 330.428 1.962 0 40 EDAB Cc1ncc(CN2CC[C@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cn1 247930152 CFLOKSBTWRUUSU-PKOBYXMFSA-N 344.459 1.636 0 40 EDAB O=S(=O)(NC[C@H]1CN(C2CCC2)Cc2ccnn21)c1ccccc1 247297423 CYUDEBVOEOUGBN-INIZCTEOSA-N 346.456 1.771 0 40 EDAB COc1ccc([C@H]2Cn3ccnc3CN2C(=O)Cn2cccn2)cc1 257246822 IVYXHNSPUZXTOK-MRXNPFEDSA-N 337.383 1.872 0 40 EDAB O=C(c1cncs1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257231075 GFCHZUSJUYUOHW-SFHVURJKSA-N 343.452 1.778 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccc(-n3cc(C)cn3)cc1)C2 69659054 WRIYVKBYSWXHDX-UHFFFAOYSA-N 336.399 1.991 0 40 EDAB O=C1C[C@H](N2CCCC[C@H]2CCO)C(=O)N1c1ccc2c(c1)OCO2 250039505 WTBPWODZGGDVRU-JSGCOSHPSA-N 346.383 1.284 0 40 EDAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccnc1OC 69620495 XCHVDKXGMHYPBF-GXTWGEPZSA-N 341.367 1.710 0 40 EDAB CN([C@@H]1CCCN(c2ccccn2)C1)S(=O)(=O)c1cccnc1 257259377 KYCRMPBSXDZWGC-CQSZACIVSA-N 332.429 1.766 0 40 EDAB CNc1cc(C)nc([C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)c1 257229484 FYHKINDRHHYHSF-GFCCVEGCSA-N 335.433 1.343 0 40 EDAB O=C(CCn1ccnc1)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257330043 XMNPCXRKWKGCHC-BFYDXBDKSA-N 330.388 1.145 0 40 EDAB O=C(COc1ccccc1F)N1CCOC[C@H]1CCc1cnccn1 257308628 TXLFIDNFOHHDMP-OAHLLOKOSA-N 345.374 1.855 0 40 EDAB O=C(NCCN1CCOCC1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 69656832 HQBFQPLXXBFWRY-OAHLLOKOSA-N 347.415 1.594 0 40 EDAB Cc1nc(C)c(C(=O)NCCn2nnc3ccc(F)cc3c2=O)s1 253402463 OJYJTQIEVFKIQX-UHFFFAOYSA-N 347.375 1.434 0 40 EDAB CC(=O)N1CCC(Cc2cnc(CN3CCC[C@H]3C(=O)O)cn2)CC1 257287140 POROSKHLKOQNPU-KRWDZBQOSA-N 346.431 1.327 0 40 EDAB Cc1ccc([C@@]2(C)CC(=O)N(Cc3nnc4n3CCOC4)C2=O)cc1 280722507 JAZAYFSREZEGBU-GOSISDBHSA-N 340.383 1.334 0 40 EDAB O[C@]1(c2ccccn2)CCNC[C@H]1N1CC[C@H](Oc2ccccc2)C1 1614973498 KVJHQSBNTAFGHA-SXLOBPIMSA-N 339.439 1.784 0 40 EDAB N[C@@H]1C[C@H](NC(=O)c2nn3c(c2Br)CCC3)C12CCC2 1615555460 UAGSFSHUFPXCEG-ZJUUUORDSA-N 339.237 1.592 0 40 EDAB CN(C)c1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccccc2F)cc1 90611902 DPWHAKIOEZKGDF-INIZCTEOSA-N 345.374 1.680 0 40 EDAB CSc1ncccc1C(=O)NCCn1ccc2ccn(C)c2c1=O 575609037 XSVOVNURLQHTCX-UHFFFAOYSA-N 342.424 1.887 0 40 EDAB COCc1nc(C)cc(NCc2nc3ccc(C(=O)OC)cc3[nH]2)n1 585142397 WDZODKWHSKZDML-UHFFFAOYSA-N 341.371 2.206 0 40 EDAB COCCN1C[C@@]2(COCCN(Cc3cccc(C)c3)C2)CC1=O 585105041 ZGVNERMWIQRYST-LJQANCHMSA-N 332.444 1.692 0 40 EDAB Cc1cccc(C(=O)NCCNCc2c(C)nn(C)c2N(C)C)c1 65475493 GGAMNZZSGXBXOA-UHFFFAOYSA-N 329.448 1.623 0 40 EDAB CC(=O)N1CCN(C(=O)NCc2csc(Br)c2)CC1 65534368 GTPAUXCZGQXVBA-UHFFFAOYSA-N 346.250 1.884 0 40 EDAB CC[C@](C)(NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1nc(C)cs1 75146754 ORLCGRHYUJJOGY-MFKMUULPSA-N 331.463 1.563 0 40 EDAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)C2)cc1OC 40498896 SUHRUBWOTGHOMS-PWSUYJOCSA-N 327.402 1.316 0 40 EDAB CN1CCO[C@@H]2CN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)C[C@@H]21 95439805 PSXHRLFKOCKUHC-UONOGXRCSA-N 348.827 1.324 0 40 EDAB O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)[C@H]1Cc2ccccc2CN1 95971174 AXJHHJFUMJDEON-QZTJIDSGSA-N 341.455 1.751 0 40 EDAB CO[C@]1(CNS(=O)(=O)Cc2cc(F)ccc2F)CCSC1 96097709 GRVSMPPFQIMXTB-ZDUSSCGKSA-N 337.413 1.906 0 40 EDAB CN1CCO[C@H]2CN(Cc3cc(O)ccc3Br)C[C@@H]21 93642211 WCXRHLUFAUZBTM-KBPBESRZSA-N 327.222 1.670 0 40 EDAB Cc1ccc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)c(C)c1 13670521 MOFCDTJHKKFOSR-UHFFFAOYSA-N 341.477 1.137 0 40 EDAB C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)c1cc2ccccc2c(=O)o1 585127332 XMXRYWGPLKLUGY-GRYCIOLGSA-N 328.368 1.873 0 40 EDAB CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(C(=O)O)nc1)CC2 590433994 XWARRHIZIFHXLW-LLVKDONJSA-N 329.360 1.240 0 40 EDAB C[C@@H](OC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CC1 5309244 FUARKYDCAIMWQY-SNVBAGLBSA-N 343.376 1.200 0 40 EDAB CC(=O)NCCCc1ccc(C(=O)COC(=O)C2=COCCO2)cc1 6087044 HTNVNIBNOHWBRD-UHFFFAOYSA-N 347.367 1.369 0 40 EDAB Cn1cc(Br)c(C(=O)NCCCn2cc(Cl)cn2)n1 2778572 CRALGXCBNLFKHP-UHFFFAOYSA-N 346.616 1.853 0 40 EDAB CC(C)N1CCCC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1=O 2037985133 YOIIFCUTRBXLIO-LJQANCHMSA-N 345.443 1.643 0 40 EDAB Cc1ncc(CO)c2cc(C(=O)c3ccc4c(c3)OCO4)c(=O)oc12 9673651 ULHVFEHRZGEJKT-UHFFFAOYSA-N 339.303 1.948 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)CCn3ccc4ccccc43)CC2)N1 22281712 LAUPOUTTZORWGQ-UHFFFAOYSA-N 340.383 1.232 0 40 EDAB Cc1ccc(NC(=O)C[C@H]2SC(NC(=N)N)=NC2=O)cc1Cl 20028240 BLXPOCRBUDDVAQ-SECBINFHSA-N 339.808 1.458 0 40 EDAB CCc1noc(CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)n1 31816775 YQEPWIRVOHFFHW-SNVBAGLBSA-N 328.328 1.684 0 40 EDAB Cc1nc(C(=O)N[C@@H]2CCCCNC2=O)nn1-c1ccc(F)cc1 40521736 JXADUWXOXNBCLX-CYBMUJFWSA-N 331.351 1.113 0 40 EDAB CC[C@@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1OC 40520755 RHPXJTPEZILNJM-GXTWGEPZSA-N 340.445 1.880 0 40 EDAB COCCNC(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 51674636 UDJHQGCBSSPLDN-UHFFFAOYSA-N 325.434 1.607 0 40 EDAB CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O 102054873 BJNDMOOUEOJJEV-AVGNSLFASA-N 343.468 1.942 0 40 EDAB COc1cccc(OCCNC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 32797085 PTBVGFANLASYCI-QGZVFWFLSA-N 341.363 1.972 0 40 EDAB Cc1cc(=O)c(C(=O)NCC(F)(F)F)nn1-c1ccccc1F 32780846 XIFPCZIHMHRRNV-UHFFFAOYSA-N 329.253 1.972 0 40 EDAB Cc1cc(C)n(CC(=O)Nc2ccc(F)c(F)c2)c(=O)c1C(N)=O 32859765 AYAASFIMYLXIST-UHFFFAOYSA-N 335.310 1.481 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)C1 53286843 LJISBNIRQWVDJW-ZWKOTPCHSA-N 329.444 1.760 0 40 EDAB O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cc(C2CC2)[nH]n1 53351733 DRVIVMDOXOAEQQ-UHFFFAOYSA-N 339.399 1.717 0 40 EDAB CN(Cc1ccco1)C(=O)CSc1nnc(-c2ccco2)n1N 9076925 PXURPWGGWBRWIF-UHFFFAOYSA-N 333.373 1.596 0 40 EDAB CC(C)(C)OC(=O)N1CCN(CCNCc2cscn2)CC1 78552825 FYWLTXITBTUCEX-UHFFFAOYSA-N 326.466 1.785 0 40 EDAB C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(N)=O 22716662 LZEZZLPWOLNIGK-SECBINFHSA-N 345.321 1.734 0 40 EDAB Cn1ncc2c(N3CCC[C@@H](C(=O)Nc4ccccn4)C3)ncnc21 54061156 WJEURFONGZWSRC-GFCCVEGCSA-N 337.387 1.613 0 40 EDAB CC(=O)N1CCC(NC(=O)NCc2ccc3c(c2)OCCO3)CC1 47860342 CCSXCQYWJAFLNC-UHFFFAOYSA-N 333.388 1.268 0 40 EDAB CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccco1 1232015 FDERVCFEOHKBSB-QDEZUTFSSA-N 338.356 1.446 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)c1cnn(C)c1-n1cccc1 79481865 UQFCIROJRYXHMS-LBPRGKRZSA-N 336.417 1.235 0 40 EDAB O=C(OCCOC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 23077348 AOTGZRGHESGIIP-UHFFFAOYSA-N 338.319 1.937 0 40 EDAB Cc1cc(C)n(CCCNC(=O)CNC(=O)COc2ccccc2)n1 23246761 BKOMTTXMNYWJQL-UHFFFAOYSA-N 344.415 1.201 0 40 EDAB COC[C@@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 2917287 BMJUBJHLCTZVFO-LLVKDONJSA-N 328.372 1.259 0 40 EDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)c1ccccc1F 23544756 ALDPHVUNMPODGE-VIFPVBQESA-N 342.378 1.882 0 40 EDAB CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCO2)cc1 4383660 DXGXMAUDWQNDMV-CYBMUJFWSA-N 326.418 1.284 0 40 EDAB COc1cccc(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)c1 84102035 IUIXMNDXYAUXKB-ZDUSSCGKSA-N 349.412 1.812 0 40 EDAB C[C@@H](OC(=O)CCn1c(=O)oc2ccccc21)C(=O)NC1CCCC1 7621966 AKXGXFSSRLQRAG-GFCCVEGCSA-N 346.383 1.975 0 40 EDAB CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccccc1 100403780 VDLSNXQRYWSHGB-PASDCYSWSA-N 348.395 1.853 0 40 EDAB COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc[nH]c2=O)CC1 25059694 LAQBAQHUBQXPFS-UHFFFAOYSA-N 340.379 1.722 0 40 EDAB Cc1cc(CN(C)C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)no1 25138810 KYLUGPUYHVMVIZ-UHFFFAOYSA-N 337.401 1.935 0 40 EDAB C[C@H](OCc1ccccc1)C(=O)NCc1cccc(S(N)(=O)=O)c1 25272773 DGBBKGMPLKGIOP-ZDUSSCGKSA-N 348.424 1.556 0 40 EDAB Cc1cn(CC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c2ccccc12 107319978 KFWHAWBZIAINQJ-HOTGVXAUSA-N 327.428 1.929 0 40 EDAB O=C(COC(=O)c1ccc[nH]c1=O)NCCc1ccc(Cl)cc1 3274472 NHARJTNMGURATP-UHFFFAOYSA-N 334.759 1.544 0 40 EDAB Cc1cc2nc(SCC(=O)Nc3nccs3)n(C)c(=O)c2[nH]1 57522149 PUHGJVUICPGLBI-UHFFFAOYSA-N 335.414 1.757 0 40 EDAB Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1S(N)(=O)=O 26903404 SOOZWAVLDBQRJV-UHFFFAOYSA-N 325.777 1.943 0 40 EDAB CC(C)c1nccn1[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 72234672 ZTSBGZLMYCKHCK-ZDUSSCGKSA-N 342.465 1.109 0 40 EDAB c1cncc(COC[C@@H]2CN(C[C@H]3CCOC3)Cc3ccnn3C2)c1 107210901 UWMPUQWVSONOTM-QZTJIDSGSA-N 342.443 1.963 0 40 EDAB Cc1cccc(C)c1N1C(=O)C[C@@H](N2CCC[C@H](C(N)=O)C2)C1=O 36020566 SLWHWXFYLZLBNZ-UONOGXRCSA-N 329.400 1.133 0 40 EDAB CCN(CC)[C@H](C)CNC(=O)NCc1cccnc1N1CCOCC1 48276408 UJZGWGAUWGDJLR-OAHLLOKOSA-N 349.479 1.448 0 40 EDAB CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)O 10219801 DNTHCRKMZOQPPL-GWCFXTLKSA-N 342.417 1.166 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccccc1OCC(N)=O)c1ccsc1 44909465 RZAXSCGRFVALMR-CQSZACIVSA-N 347.440 1.645 0 40 EDAB CC(=O)N1CCN(C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1 44951353 LDBPJBWKQLBGLS-UHFFFAOYSA-N 330.392 1.708 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)C3=NN(C(C)C)C(=O)CC3)C2)n1 72273270 YCSTURDCRZNDKM-CQSZACIVSA-N 346.435 1.445 0 40 EDAB O=C1CCCN1C1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 72276292 TXZDQIAUDKIIRP-HNNXBMFYSA-N 345.447 1.029 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CCCO2)cc1 58305013 KVMGVXLKIYPRJT-ZDUSSCGKSA-N 327.402 1.711 0 40 EDAB CN(CCOc1ccccc1)S(=O)(=O)c1ncn(C)c1Cl 27945411 UKGNMHVTNWOIKB-UHFFFAOYSA-N 329.809 1.773 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 102603607 BOLJWIFFLMICBP-XRGAULLZSA-N 338.367 1.788 0 40 EDAB CCCNC(=O)C1(NC(=O)C2CCN(C(C)=O)CC2)CCCCC1 58406424 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CCc1ccc(N2C(=O)C[C@@H](N(C[C@H]3CCCO3)C(C)=O)C2=O)cc1 2792984 BUKSCZWLIYBZFU-IAGOWNOFSA-N 344.411 1.908 0 40 EDAB O=C(COC(=O)c1c(Cl)nc2sccn12)NC[C@H]1CCCO1 9049837 VMGIXCSTKUHCDL-MRVPVSSYSA-N 343.792 1.501 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 72301148 ZUMJOGDPUGNYCL-STQMWFEESA-N 327.450 1.637 0 40 EDAB O=C(O)c1cc(=O)n(CN2CCC(Cc3ccccc3)CC2)c(=O)[nH]1 4135775 UMWZWIPMIUQBCL-UHFFFAOYSA-N 343.383 1.147 0 40 EDAB CSc1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1 5093572 SDXSDPAWVJAAKE-UHFFFAOYSA-N 348.432 1.860 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)OCCCO3)no1 13986419 SWSXHWFYXDPDOU-UHFFFAOYSA-N 332.312 1.940 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 65467179 AWGACFZKMFKESA-KGLIPLIRSA-N 330.432 1.414 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@@H](O)COCc1ccco1)CC2 65565489 FZPWUTFFWBIESZ-CYBMUJFWSA-N 332.404 1.071 0 40 EDAB COc1cccc(OC)c1OC1CCN(CCS(C)(=O)=O)CC1 65586445 LAMLSFYBLJXZNI-UHFFFAOYSA-N 343.445 1.592 0 40 EDAB O=C(O)C[C@@H](C(=O)NCCc1ccc2c(c1)OCO2)[C@@H]1CCCO1 71405966 RLJMMGOQDGIZRC-OLZOCXBDSA-N 335.356 1.344 0 40 EDAB C[C@@H]1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C[C@@H](C)O1 14944174 PNFGTQKWBFGTMM-FOCJUVANSA-N 329.462 1.821 0 40 EDAB COc1ccc(NC(C)=O)cc1NC(=O)COc1coc(C)cc1=O 72402129 JUODETUZAILSRO-UHFFFAOYSA-N 346.339 1.933 0 40 EDAB C[C@H]1CN(C(=O)NCC(=O)N2CCCC2)C[C@H](c2ccccc2)O1 67590993 OEZQXOUIFCCQFN-GOEBONIOSA-N 331.416 1.780 0 40 EDAB Cc1ccccc1CCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 15535478 XIQWGGXORBVNLV-UHFFFAOYSA-N 345.424 1.151 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2 7251132 DMQDGARLEBJMSQ-UHFFFAOYSA-N 337.335 1.806 0 40 EDAB COC(=O)CCCNC(=O)CSc1nc2ccc(OC)cc2[nH]1 7240667 BJGASZBYSLYWSL-UHFFFAOYSA-N 337.401 1.733 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)no1 67886720 RRIHALVSGAHPIH-ZDUSSCGKSA-N 331.420 1.931 0 40 EDAB Cn1nc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)ccc1=O 97374395 IHCQNYLKNHIFEF-OAHLLOKOSA-N 327.384 1.254 0 40 EDAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccncc1F 306127570 GCJAXLZLWMKDLH-NSHDSACASA-N 341.350 1.274 0 40 EDAB O=C(CCNC(=O)c1ccco1)N[C@@H](Cc1ccccc1)C(=O)O 8156875 LSGJQHFYYNFHNG-ZDUSSCGKSA-N 330.340 1.212 0 40 EDAB CC(C)C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=O 8189229 OUJZPXUMAGFERO-NSHDSACASA-N 338.351 1.884 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cccc(F)c2F)CC1 70007083 NLLULOLIQNIMCA-GFCCVEGCSA-N 328.359 1.120 0 40 EDAB CC(C)[C@H]1C(=O)NCCN1CCC(=O)N1CCc2sccc2C1 69349683 USWCUJRFJFXMQJ-INIZCTEOSA-N 335.473 1.479 0 40 EDAB O=S(=O)(CCCN1CCc2cncnc2C1)c1ccc(F)cc1 69488751 HEQLDTGQEZGDSR-UHFFFAOYSA-N 335.404 1.838 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1nn(-c3ccccc3F)cc1O)C2 69489687 ZXUILOCNQZOFTG-UHFFFAOYSA-N 342.334 1.273 0 40 EDAB CN1CCCC[C@@H]1CN1CCN(C(=O)Cc2ccc(F)cc2)CC1 69517203 JTAFEMQOZADACL-GOSISDBHSA-N 333.451 1.997 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cn1 69594431 PLTLXHJZJLNVMZ-HNNXBMFYSA-N 347.415 1.332 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)Cn2ccc(C(F)(F)F)n2)cn1 69625390 AKOYQVUGEKPYJE-LLVKDONJSA-N 327.310 1.999 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@H](n3ccnc3)C2)CN1CC(F)(F)F 69700189 FJNHSTGOCAQHOG-RYUDHWBXSA-N 344.337 1.457 0 40 EDAB CN1CCCC[C@@H]1CN1CCN(C(=O)COc2cccc(F)c2)CC1 69741801 QSIQGTJIKRHWHB-QGZVFWFLSA-N 349.450 1.833 0 40 EDAB O=C1C[C@H](C(=O)N2CCN(C3CCC3)CC2)CN1Cc1ccco1 69743643 CONXQSMXMKPBTL-AWEZNQCLSA-N 331.416 1.325 0 40 EDAB CCN(CC)C(=O)[C@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1 69737429 JTHGHDDHKZRHLD-NVXWUHKLSA-N 327.432 1.792 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 69700759 BJHTWINSZSKKSH-SNVBAGLBSA-N 346.836 1.489 0 40 EDAB O=C(c1cccnc1N1CCOCC1)N1CCC[C@H](n2ccnc2)C1 69870835 YALIXNVBLHXHLA-HNNXBMFYSA-N 341.415 1.592 0 40 EDAB CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCNC(=O)C2)cc1 69873171 WALCYJPQHDVRQX-UHFFFAOYSA-N 346.431 1.913 0 40 EDAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N(C)CCN1CCOCC1 69927221 IZOBBJSULNPDJH-HNNXBMFYSA-N 337.439 1.437 0 40 EDAB Cc1ccc(NC2CCN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)CC2)nn1 71863567 SUPHZPPYQXKFII-CVEARBPZSA-N 340.431 1.725 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3cncnc3C(C)C)CC2)on1 71800088 BBINOUZYOQYBLT-UHFFFAOYSA-N 329.404 1.854 0 40 EDAB CC(C)n1cnc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)c1 96501014 ZZPNYHAOWPPHLJ-UHFFFAOYSA-N 332.389 1.846 0 40 EDAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1nc2n(c1=O)CCCCC2 71911346 ZWGXLTQIOGKKFX-ILXRZTDVSA-N 332.448 1.951 0 40 EDAB COCCn1cc(C(=O)O[C@@H]2CCS(=O)(=O)C2)c2ccccc21 83912195 RHRRYSSEAYKWIA-GFCCVEGCSA-N 337.397 1.632 0 40 EDAB Cn1cc(N2CCC[C@@H](Nc3ccc4c(c3)CCC(=O)N4)C2=O)cn1 98014349 KDXUMMBNHGZWPU-MRXNPFEDSA-N 339.399 1.912 0 40 EDAB O=C(O)[C@@H]1COCCN1C(=O)COc1ccc(Br)cc1 88373569 MNGYFENWMPPOIB-NSHDSACASA-N 344.161 1.140 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95997987 MLDUGICSKRSPGA-KRWDZBQOSA-N 339.399 1.339 0 40 EDAB COC[C@@H](NC(=O)CCc1ncc(-c2ccc(C)cc2)o1)C(N)=O 89389137 APTOHNCSMSXKFF-CYBMUJFWSA-N 331.372 1.199 0 40 EDAB COc1ccc(-n2ccc(CNC(=O)c3ccc(C)[nH]c3=O)n2)cc1 75122717 QMAYLJFUQUCIAY-UHFFFAOYSA-N 338.367 1.808 0 40 EDAB CNC(=O)Nc1cc(I)cc(C(=O)OC)c1 89885970 WKRBBLHEDXLTCP-UHFFFAOYSA-N 334.113 1.829 0 40 EDAB COc1ccc(F)cc1CN1CCC[C@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 89914269 MTWIFQZURLUVRK-SCLBCKFNSA-N 349.406 1.987 0 40 EDAB C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1nnc2n1CCCC2 89913849 HYIMCBXHPADEHX-VHSXEESVSA-N 331.342 1.428 0 40 EDAB COCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 113966347 WNAURNUQIHXSPR-UHFFFAOYSA-N 332.397 1.135 0 40 EDAB CCOCC(=O)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 306132046 KWOBCTNNEWEPPF-HNNXBMFYSA-N 334.416 1.642 0 40 EDAB Cc1nnsc1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 38678067 FSZLMMPZCLSAIR-UHFFFAOYSA-N 346.412 1.500 0 40 EDAB CC(C)NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 36761351 BXELKXXDCIGVRM-SFHVURJKSA-N 329.400 1.900 0 40 EDAB O=C([C@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1cccc(F)c1)N1CCOCC1 79001328 MUDYBZRKZPQGMN-IXDOHACOSA-N 346.402 1.779 0 40 EDAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CSCCC(=O)N1 75171289 UPMVORLOHCFOCQ-GFCCVEGCSA-N 337.401 1.214 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NC[C@H](O)Cc1ccccc1 70639324 PVQXSTHFZAJWJJ-CQSZACIVSA-N 339.388 1.716 0 40 EDAB O=C(NCc1cc(F)ccc1Br)N1CCO[C@H](CO)C1 78903816 SOXBNVTXOPKKOV-NSHDSACASA-N 347.184 1.491 0 40 EDAB COCc1nc2n(n1)C[C@@H](NC(=O)C1(C(F)(F)F)CCCC1)CC2 566844695 NJENFSOJORWPSD-JTQLQIEISA-N 346.353 1.978 0 40 EDAB COc1ccc(Oc2nccnc2C2CCN(CC(N)=O)CC2)cc1 72361821 UKNRPEJMRBBHKA-UHFFFAOYSA-N 342.399 1.942 0 40 EDAB CS(=O)(=O)c1ccccc1NC(=O)N[C@H](CO)c1ccccc1 79143959 WBANVOOFEOWHED-CQSZACIVSA-N 334.397 1.945 0 40 EDAB NCC(=O)NCC1CCC(c2ccnc(Nc3ccccn3)n2)CC1 72382978 DCLAUOAXTHPWJU-UHFFFAOYSA-N 340.431 1.964 0 40 EDAB Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cnc2sccn2c1=O 72242536 ZLXCDEGRMURWBT-CYBMUJFWSA-N 341.396 1.662 0 40 EDAB NCC(=O)N1CCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1 79412550 DGTKVPKUZLKWSP-MRXNPFEDSA-N 331.416 1.737 0 40 EDAB O=C1c2ccccc2C(=O)N1CCn1c(-c2cccnc2)noc1=O 69630419 GXLWDDVWNTUXCU-UHFFFAOYSA-N 336.307 1.195 0 40 EDAB COC[C@@H](NS(=O)(=O)c1csc(C(=O)O)c1)c1ccco1 570208407 WENAAQYZGVLKBS-SECBINFHSA-N 331.371 1.705 0 40 EDAB CC1CCN(C(=O)CN(Cc2ccccc2F)S(C)(=O)=O)CC1 222977992 DWHBHDMXXFOZFY-UHFFFAOYSA-N 342.436 1.846 0 40 EDAB COc1nccnc1O[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 225495621 PBWFJJZMPBKBQG-CQSZACIVSA-N 328.372 1.493 0 40 EDAB COc1cnc(N(C)C(=O)[C@H]2CCCN(CC(F)(F)F)C2)nc1 330436651 BIQVHEWUOMPYEG-JTQLQIEISA-N 332.326 1.722 0 40 EDAB Cc1ncsc1CN1C[C@@H]2C[C@@H](CC(=O)NCC3CC3)O[C@@H]2C1 96206644 KGVYPMSAZRDBIX-SOUVJXGZSA-N 335.473 1.957 0 40 EDAB Cc1ncsc1CCn1nnc(CN(C)C(=O)c2ccccc2)n1 96436647 WOMMLRUXOBYTIX-UHFFFAOYSA-N 342.428 1.953 0 40 EDAB O=C(c1ccc2[nH]ccc2c1)N1CCn2cc(Cn3cncn3)nc2C1 96197379 FVEPVBOHTGIPMI-UHFFFAOYSA-N 347.382 1.660 0 40 EDAB CCc1noc(CC)c1CNS(=O)(=O)c1ccc(C(=O)O)nc1 583809794 DYJVNWAYLVRNPW-UHFFFAOYSA-N 339.373 1.371 0 40 EDAB COCCN1CCN(Cc2cnc(-c3cccnc3)s2)CC1=O 97235614 ZEMVOJMSVKGCFM-UHFFFAOYSA-N 332.429 1.496 0 40 EDAB COCCC(=O)N1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 96202187 FZTABOIGWOPOTB-KRWDZBQOSA-N 338.473 1.836 0 40 EDAB COc1ccc2[nH]cc(CCNS(=O)(=O)c3cnn(C)c3)c2c1 96444887 OJLOZSIMCJJLGH-UHFFFAOYSA-N 334.401 1.431 0 40 EDAB Cc1cccc(CCC(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)c1 581929019 VEDSKTWJPOJRMS-HZPDHXFCSA-N 337.441 1.342 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)Cn1cnc3sccc3c1=O)C2 97198265 VKQCVIPQZIDTTF-NSHDSACASA-N 343.412 1.094 0 40 EDAB COC(=O)C[C@@H]1Cc2ccccc2N1Cc1nnnn1C(C)(C)C 585116431 VAZMDXOUPWDRFB-ZDUSSCGKSA-N 329.404 1.923 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@H](CO)c2ccccc2)C1 585101446 QRZYNBOMZXFFPO-IAGOWNOFSA-N 330.428 1.527 0 40 EDAB CN(C(=O)OC(C)(C)C)C1(C(=O)NCCc2cncn2C)CCC1 585123657 VYWCCAJPDLBPHJ-UHFFFAOYSA-N 336.436 1.868 0 40 EDAB Cc1cc(CN2CCn3cc(CC(=O)NC(C)C)nc3[C@@H]2C)no1 247942273 UZQCWVNYBNHWJL-ZDUSSCGKSA-N 331.420 1.823 0 40 EDAB CCn1c(N2CCC[C@H](C(=O)NC[C@H](C)O)C2)nc2ccccc21 248265509 DLBRBTCKTBGDOD-KBPBESRZSA-N 330.432 1.770 0 40 EDAB COCC(=O)N1CC2(C1)OCC[C@@H]2CCOCc1cccc(C)n1 247889770 UXMJWOSSKQBBAG-HNNXBMFYSA-N 334.416 1.561 0 40 EDAB Cc1cc(CN2CC3(CC[C@H](CNc4ncccn4)CO3)C2)no1 247948343 XKCUABJWOANJAP-CQSZACIVSA-N 329.404 1.866 0 40 EDAB CCCS(=O)(=O)N1CCO[C@@H](CCc2ccnc(N(C)C)c2)C1 257220619 DLMKBTBDFLFHFT-HNNXBMFYSA-N 341.477 1.521 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC(Cc3ncccn3)CC2)CC1 257258989 KWJNRRJKJNIOMW-UHFFFAOYSA-N 332.448 1.105 0 40 EDAB CS(=O)(=O)N1CCC(N2CCC[C@@H]2CCc2ccncc2)CC1 257336363 YOBQCKAJCAURIE-MRXNPFEDSA-N 337.489 1.903 0 40 EDAB Cc1ncc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)c(C)n1 257207211 BGUSZUOMOJQODD-SFHVURJKSA-N 341.415 1.250 0 40 EDAB COc1ccc([C@H]2CNCCN2C(=O)CCc2cc(OC)no2)cc1 257221565 DPPLVZMCSOOGGF-MRXNPFEDSA-N 345.399 1.798 0 40 EDAB CNc1cc(C)nc([C@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)c1 257255760 KISKQKMMAOJUAT-ZDUSSCGKSA-N 349.460 1.652 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCO[C@@H](CCc2ccncn2)C1 257309341 UAONBBVVRWTBLN-HNNXBMFYSA-N 330.388 1.484 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)c1 257264667 LVNMHEFXIBHABZ-AWEZNQCLSA-N 339.392 1.191 0 40 EDAB COc1ccccc1Cc1cncc(C(=O)N2CCNC(=O)C2)c1 257265823 MAMCLSYITTUNHW-UHFFFAOYSA-N 325.368 1.253 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)n1 257282230 OSYZVPPMPKMQRD-CYBMUJFWSA-N 330.392 1.020 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 257265547 LZCZZBBGZDBSKT-QZTJIDSGSA-N 325.412 1.269 0 40 EDAB Cn1ncc2c(O)nc(N3CCOC[C@@H]3Cc3ccccc3)nc21 356781539 BNSGIBZKSNDRNL-ZDUSSCGKSA-N 325.372 1.517 0 40 EDAB COCC[C@@](C)(O)CNS(=O)(=O)c1cc(Cl)ccc1OC 278859661 UGKKYFIYUVKASZ-CYBMUJFWSA-N 337.825 1.414 0 40 EDAB C[C@@H]1CN(CCO)CCN1C(=O)c1ccc(NCC(F)(F)F)nc1 1615003061 BEXNRJSBMVYCGC-LLVKDONJSA-N 346.353 1.194 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3cccc(F)c3O)C2)on1 1615037662 WSFXTCZBUYMIKS-LLVKDONJSA-N 347.346 1.862 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCO[C@@H](C(F)(F)F)C3)nc2n1 606863710 PQNXERTVQWQAGL-SECBINFHSA-N 329.282 1.144 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 390835067 CAUVTNHAGIJGGM-SWLSCSKDSA-N 340.420 1.813 0 40 EDAB COc1ccc(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1OC 575423993 QNPYMCLOKDVUHX-GFCCVEGCSA-N 327.402 1.005 0 40 EDAB O=C1[C@H]2CN(C(=O)C3(F)CCC3)C[C@H]2CCN1Cc1cccnc1 585107815 CIPWIQKNUYCERJ-CABCVRRESA-N 331.391 1.781 0 40 EDAB CCCC(=O)N1CCn2cc(C(=O)NCc3cccnc3)nc2[C@@H]1C 585096261 CZVVIAPOVZGPOC-ZDUSSCGKSA-N 341.415 1.911 0 40 EDAB CCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccs4)CC3)[C@H]2C1 585106211 XCGLMGVPJOLRQC-KGLIPLIRSA-N 347.484 1.811 0 40 EDAB CCc1cc(C(=O)N2CCO[C@](CO)(Cc3cccc(C)c3)C2)on1 585277102 JVNNNIOYSCMUQY-LJQANCHMSA-N 344.411 1.992 0 40 EDAB Cc1c(NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)cccc1C(N)=O 71882649 HUNUJNRYDVKPMP-CYBMUJFWSA-N 349.456 1.980 0 40 EDAB C[C@H](NC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 44892589 WHPXDOIIMKPSRD-UTUOFQBUSA-N 341.433 1.214 0 40 EDAB CS(=O)(=O)CCCNC(=O)/C=C/c1cnn(-c2ccccc2)c1 58246072 QYSPCNOKRUFNHO-CMDGGOBGSA-N 333.413 1.436 0 40 EDAB CC(=O)N(C)C1CCN(C(=O)N[C@@H](C)CCc2cccn2C)CC1 74744278 UJSRZAPCZUFOHN-AWEZNQCLSA-N 334.464 1.999 0 40 EDAB NC(=O)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)CC2)nn1 75147152 LBXVCIAKJRZCCH-UHFFFAOYSA-N 345.834 1.941 0 40 EDAB C[C@H]1CCOCCN1C(=O)NC1CCN(CCc2ccncc2)CC1 91631421 JMWASMOYRHEBCI-INIZCTEOSA-N 346.475 1.909 0 40 EDAB CCOC(=O)[C@H](NC(=O)[C@@H]1CC[C@@H](CC)O1)[C@H](O)c1ccncc1 585129035 VPLOTNLRAIEWHI-LXTVHRRPSA-N 336.388 1.121 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N2CC[C@H]2C(=O)O)c(C)c1CC(=O)O 585121906 FSLWNNPOLHNBEO-LBPRGKRZSA-N 341.385 1.087 0 40 EDAB COc1ccc(Br)c(C(=O)N2CCOC[C@@H]2C(=O)O)c1 88374158 CMKBICAYAHMUAB-LLVKDONJSA-N 344.161 1.383 0 40 EDAB O=C1NCC2(CCN(C(=O)c3ccccn3)CC2)Oc2ccccc21 12225201 QRCCSUQDTUEJRN-UHFFFAOYSA-N 337.379 1.879 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1 15324015 IZTUMVKUCBHLPR-UHFFFAOYSA-N 335.381 1.960 0 40 EDAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 16681735 ONHATWCJBOBUJC-UHFFFAOYSA-N 326.418 1.620 0 40 EDAB Cn1cc(C(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)cn1 19290546 SNJMLPXJENWSAF-UHFFFAOYSA-N 337.383 1.676 0 40 EDAB Cc1nonc1C(=O)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19558727 CFFWJZXTZFELDA-UHFFFAOYSA-N 339.355 1.634 0 40 EDAB Cc1ccccc1CS(=O)(=O)NC[C@H](C(=O)O)C1CCOCC1 516862493 FDRRMOCQIZIUSG-HNNXBMFYSA-N 341.429 1.542 0 40 EDAB CCS(=O)(=O)NCCc1cc(N(C)C)nc(-c2ccccn2)n1 19520490 CZWCLBPITFSYDM-UHFFFAOYSA-N 335.433 1.086 0 40 EDAB COCCN1C(=O)N[C@@H]2CN(Cc3cc(F)ccc3F)CC[C@@H]21 585655563 AKHHYSAAUWZENW-CABCVRRESA-N 325.359 1.579 0 40 EDAB C[C@H](OC(=O)CCOc1ccc(C(C)(C)C)cc1)C(=O)NC(N)=O 6033128 NZFOFIPNGPLNAS-NSHDSACASA-N 336.388 1.880 0 40 EDAB O=C(NC1CCN(CC2=CCCCC2)CC1)c1cccn2nnnc12 1002911479 MUKYXOTVRQFGRV-UHFFFAOYSA-N 340.431 1.819 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 23869191 KRMLCZSMHOKTJU-UHFFFAOYSA-N 325.324 1.199 0 40 EDAB CC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCNC(=O)C2)CC1 13734120 ROZLITLHPLFJDC-UHFFFAOYSA-N 339.436 1.276 0 40 EDAB C[C@H]1C[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br 32382857 JVEQREPKTZFNIA-YUMQZZPRSA-N 347.234 1.482 0 40 EDAB O=C(c1ccc2nccnc2c1)N1CCC(N2C(=O)COC2=O)CC1 244955830 GBNZNWTUSVHPGT-UHFFFAOYSA-N 340.339 1.213 0 40 EDAB CC(C)N1C[C@]2(CCN(C(=O)Cc3ccc(F)cc3)C2)COCC1=O 2037985689 SDDWBWYTVYLVHN-LJQANCHMSA-N 348.418 1.854 0 40 EDAB O=C(Cc1ccc(F)cn1)N1CCC[C@]2(C[C@H](n3ccnc3)CO2)C1 1565549491 XXRMETLJVZFDOP-WMZOPIPTSA-N 344.390 1.983 0 40 EDAB COc1cc(OC)cc(C(=O)Nc2nnc(C3=COCCO3)o2)c1 4264396 QESYWFLBJRHNBQ-UHFFFAOYSA-N 333.300 1.684 0 40 EDAB O=C(Nc1ccc2onc(CN3CCOCC3)c2c1)c1cnccn1 1775970207 GYIAAPKDHFCXQC-UHFFFAOYSA-N 339.355 1.702 0 40 EDAB O=C(CN1C(=O)CCC1=O)NCCc1ccc(-c2ccco2)s1 2086896916 XLHALLQMKXTAMF-UHFFFAOYSA-N 332.381 1.816 0 40 EDAB O=C(COc1ccccc1F)NC1CCN(c2cnsn2)CC1 575615673 GUTYEIPIFUXRGE-UHFFFAOYSA-N 336.392 1.841 0 40 EDAB Cc1csc(CNC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1 50062895 MCKIXMJOKRPZGY-UHFFFAOYSA-N 331.401 1.964 0 40 EDAB Cc1cnc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cn1 40477365 QMRARWFEWLGYGU-HNNXBMFYSA-N 330.388 1.490 0 40 EDAB C[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)n1cncn1 40498651 PMCXJJNTHNQQJM-ZBFHGGJFSA-N 329.404 1.029 0 40 EDAB O=S(=O)(NCc1ccnc(OC2CCCC2)c1)N1CCOCC1 40520562 LHLUFBDJODPJFA-UHFFFAOYSA-N 341.433 1.070 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1 40501800 WMKRJOVQTQLGTB-UHFFFAOYSA-N 338.360 1.282 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCCCNC2=O)c2cnn(C(C)C)c2n1 40521804 YRGCUMXOPGRXMN-CQSZACIVSA-N 329.404 1.719 0 40 EDAB O=S(=O)(NCCCn1cncn1)c1cccc(C(F)(F)F)c1 40515909 VOAYARSSVRZMRV-UHFFFAOYSA-N 334.323 1.666 0 40 EDAB COc1cc2c(cc1OC)CN(CCC(=O)N1CCOCC1)CC2 51315118 NQXGSCMTCNYVKC-UHFFFAOYSA-N 334.416 1.311 0 40 EDAB COc1cc2nc(CN(C)Cc3cnn(C)c3)[nH]c(=O)c2cc1OC 32540016 DMNCYEBZQRTNQZ-UHFFFAOYSA-N 343.387 1.306 0 40 EDAB CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc2c(c1)OCCCO2 32551713 XDFGTODGACHLKQ-UHFFFAOYSA-N 337.401 1.402 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)C1=NN(c2ccccc2)C(=O)CC1 32736746 RYPRQYBQJFIWFN-LBPRGKRZSA-N 330.388 1.200 0 40 EDAB Cc1csc(=O)n1CC(=O)NC[C@@H](c1cccc(F)c1)N(C)C 32729715 DMPQXHYFPOZHNJ-AWEZNQCLSA-N 337.420 1.776 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)o1 32957011 XYXLFWOCZSMQPX-CYBMUJFWSA-N 334.397 1.947 0 40 EDAB COC(=O)c1cccc2c1CCCN2C(=O)CCNC(=O)[C@H]1C[C@H]1C 41796801 HBASBPOLIPAKBN-DOMZBBRYSA-N 344.411 1.915 0 40 EDAB COc1ccccc1NC(=O)COC(=O)Cn1c(C)csc1=O 22372571 HGYQNZVTICOZRL-UHFFFAOYSA-N 336.369 1.409 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NC2(c3ccccc3)CCC2)n(C)c1 53473391 SZGGGLRZFUIKPF-UHFFFAOYSA-N 347.440 1.742 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)Nc1ncn(Cc2ccccc2)n1 2804464 SXSKIWMREGVFSR-UHFFFAOYSA-N 332.389 1.169 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCC(c2nnc3n2CCC3)CC1 47258303 BVFICFWQNXCYTI-INIZCTEOSA-N 325.416 1.630 0 40 EDAB CC(=O)N[C@@H](CC(=O)N(CC(N)=O)C1CCCC1)c1ccc(C)cc1 47236753 KZFHXZSOHLOMPD-KRWDZBQOSA-N 345.443 1.819 0 40 EDAB CN1CCN(CCNCc2ccc(Br)cc2F)CC1 37496780 DZGUYEIVOXGSID-UHFFFAOYSA-N 330.245 1.925 0 40 EDAB in-vitro CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccco1 22832605 JMJNYRVKHUBFCE-MRXNPFEDSA-N 348.424 1.672 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2cccnc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 1158571 YTSGNODLZUAUKG-NRUUGDAUSA-N 347.293 1.208 0 40 EDAB Cc1ccc(N2CCC(NC(=O)NC[C@@H]3CCC[C@@H]3O)CC2)nc1 78953058 VFBZJVXTMQZLKS-HOCLYGCPSA-N 332.448 1.819 0 40 EDAB CCOC(=O)CSCC(=O)Nc1nc(CC(=O)OCC)cs1 22987925 INDVAOKWGCEYTC-UHFFFAOYSA-N 346.430 1.484 0 40 EDAB O=C1NC[C@H]2CN(C(=O)Nc3cccc4ccccc34)CCN2C1=O 79046209 MAUXYBMPJHVUGC-ZDUSSCGKSA-N 338.367 1.014 0 40 EDAB O=C(/C=C/c1ccccc1)NCCNc1nnnn1-c1ccccc1 79110719 GCOWUWVXKWLXRK-VAWYXSNFSA-N 334.383 1.904 0 40 EDAB O=C(c1cccc(F)c1F)N1CC[C@H](OCCN2CCOCC2)C1 79110182 HFSGFYLAIMXHDT-ZDUSSCGKSA-N 340.370 1.528 0 40 EDAB CCCn1nc(C(=O)N[C@@H]2CCCCNC2=O)c2ccccc2c1=O 42477482 HTWCFNPGXGLYGW-CQSZACIVSA-N 342.399 1.205 0 40 EDAB CCN(CC)C(=O)[C@@H](C)N(C#N)c1nc(Cl)nc(N(C)C)n1 3066335 CQBGETICMZFUPO-SECBINFHSA-N 325.804 1.135 0 40 EDAB CC(C)n1[nH]cc/c1=N\C(=O)CSc1nnc2n1CCCCC2 104806485 UBYKDYDLMQGBOT-SFQUDFHCSA-N 334.449 1.935 0 40 EDAB Cc1ccc(NC(=O)CSc2nnc3nc(O)c(C)nn23)cc1C 4251391 HPBNPYYCAVKKHD-UHFFFAOYSA-N 344.400 1.881 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 24089599 IOMCPPZLKBMGAX-KDOFPFPSSA-N 332.400 1.764 0 40 EDAB Cc1nc(N2CCN(C)CC2)c2nnn(Cc3ccccc3F)c2n1 4985356 WNTAEBRQHNFOBA-UHFFFAOYSA-N 341.394 1.469 0 40 EDAB N[C@H](CS[C@H]1CC(=O)N(c2ccccc2Cl)C1=O)C(=O)O 100856048 WFTJNLHOQWRRIF-SCZZXKLOSA-N 328.777 1.117 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)Cc1ccc(N2CCCC2=O)cc1 24476052 JGZHBJAVHAEJSM-UHFFFAOYSA-N 326.400 1.748 0 40 EDAB COC(=O)C(C)(C)NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 55236647 KLRTYAGVFNSBQI-UHFFFAOYSA-N 340.401 1.191 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCO[C@@H](c2nccs2)C1 97199709 UVJKDJNFYOUNQB-GFCCVEGCSA-N 335.433 1.505 0 40 EDAB C[C@H]1CCCN(C[C@@H](C)NC(=O)Cn2c(=O)cnc3ccccc32)C1 55403017 AJJQJRHSLRILMF-LSDHHAIUSA-N 342.443 1.633 0 40 EDAB C[C@@H](NC(=O)CSc1nncn1C)c1ccc2c(c1)OCCO2 8735337 HPLKCMHBTHSALF-SNVBAGLBSA-N 334.401 1.556 0 40 EDAB O=C1COc2ccc(S(=O)(=O)N[C@H]3COc4ccccc43)cc2N1 84579215 VNNKRIYWSFRWTM-ZDUSSCGKSA-N 346.364 1.430 0 40 EDAB O=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCc3[nH]ncc3C2)C1 72864899 ICBYIBYVUKQCAR-ZDUSSCGKSA-N 345.447 1.659 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)C1=NN(c2ccccc2)C(=O)CN1 25301290 XZYFVQVBEYSEGB-LBPRGKRZSA-N 326.356 1.277 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@@]2(CC1)CCN(CC1CCC1)C2=O 108531658 RQGROEQMRYTUGP-GOSISDBHSA-N 335.448 1.154 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)no1 27036532 JVQPLRVZVUEHJY-GHMZBOCLSA-N 344.371 1.992 0 40 EDAB CCc1ccccc1NC(=O)CN1C(=O)NC2(CCOCC2)C1=O 57947418 WDXRFAOSBAUKGQ-UHFFFAOYSA-N 331.372 1.289 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c1 51161534 NDHIDSHXVRSRDR-AWEZNQCLSA-N 336.457 1.983 0 40 EDAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCCNC2=O)c1 58192427 ADMCOHPEAJIRDY-INIZCTEOSA-N 343.383 1.879 0 40 EDAB COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 58159374 MJJIYJCHAXKUAK-UWVGGRQHSA-N 331.365 1.410 0 40 EDAB C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C[C@@H](C)O1 44834586 RAJZBLIAGPBUDV-GUTXKFCHSA-N 332.400 1.633 0 40 EDAB O=C(NCCCn1cccn1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 44968416 IUXHRNZCBUEMGZ-HZPDHXFCSA-N 336.436 1.643 0 40 EDAB C[C@@H](C(=O)NCc1ccc(N2CCCCC2)nc1)S(C)(=O)=O 44953111 BRDGQCLBGBDEOW-LBPRGKRZSA-N 325.434 1.121 0 40 EDAB Cn1c(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc(Cl)c1Cl 44915213 XIUDIMDVEOBQDF-SSDOTTSWSA-N 325.217 1.496 0 40 EDAB Cc1cccc2c(CCNS(=O)(=O)N3CCOC[C@@H]3C)c[nH]c12 95407622 OYXWTAJLEQPRCO-ZDUSSCGKSA-N 337.445 1.574 0 40 EDAB CNC(=O)Cc1ccccc1NC(=O)NCC(=O)NC1CCCCC1 58618667 KDDLDVPLLVGURY-UHFFFAOYSA-N 346.431 1.546 0 40 EDAB Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(N)=O 95461227 FSDHELOJGDWNGO-CQSZACIVSA-N 327.388 1.062 0 40 EDAB COC(=O)C[C@@H]1CN=C(Nc2nc(C)c3ccc(C)cc3n2)NC1=O 22607720 DTVMRQBSYSFLNA-LLVKDONJSA-N 341.371 1.324 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NOCc1ccccc1)C2=O 36727597 QMAHFPNXYULLGR-FZKQIMNGSA-N 345.399 1.735 0 40 EDAB CCc1nnc(SCc2ccc(Br)cc2)n(N)c1=O 28561762 QKOJTRFTRKIUHB-UHFFFAOYSA-N 341.234 1.969 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CC1CCCCC1 29367807 CKFUCYKYEHVQCR-UHFFFAOYSA-N 340.445 1.995 0 40 EDAB Nc1nccnc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11752501 FKCXKMPNUAWGMO-UHFFFAOYSA-N 329.341 1.692 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCN(C[C@H]2CCCCO2)CC1 38292190 JFXHPUIXGBLMHA-CQSZACIVSA-N 342.436 1.701 0 40 EDAB Cc1ccc(NC(=O)CSc2nnc(-c3cc(C)n[nH]3)n2N)cc1 9109971 QHOUAVXUMUYXPZ-UHFFFAOYSA-N 343.416 1.730 0 40 EDAB O=c1c2ccccc2nnn1CSc1nnc2n1CCCCC2 6098418 ALKLEAVOIUUMAW-UHFFFAOYSA-N 328.401 1.859 0 40 EDAB CN1CCC[C@H](CNS(=O)(=O)c2ccc(OCC(F)F)cc2)C1 96009916 CXBJJSAATMLMKZ-GFCCVEGCSA-N 348.415 1.951 0 40 EDAB C[C@H](OC(=O)c1csc(NCc2ccccc2)n1)C(=O)NC(N)=O 6373574 OKBHZIJQXQRDKX-VIFPVBQESA-N 348.384 1.495 0 40 EDAB COc1cc(C(=O)NCc2nc(C)c(C)c(=O)[nH]2)cc(OC)c1OC 5387194 UZAZYTIGRPGEJT-UHFFFAOYSA-N 347.371 1.343 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)NC1CCCCCCC1 14184168 YCAGEHYEYBQZOG-UHFFFAOYSA-N 331.464 1.828 0 40 EDAB O=C(CCC(=O)Nc1cccnc1)NCc1ccc2c(c1)OCO2 4562024 JEHYNBBVSODGGU-UHFFFAOYSA-N 327.340 1.845 0 40 EDAB O=S1(=O)CC[C@@H](NS(=O)(=O)C2=Cc3ccccc3CC2)C1 14229767 WIDWBPLDXXBMSB-CYBMUJFWSA-N 327.427 1.080 0 40 EDAB O=S(=O)(NCCNc1ccc(C(F)(F)F)nn1)c1ccccc1 97032330 OWMVCNDERNHGRK-UHFFFAOYSA-N 346.334 1.886 0 40 EDAB CC(C)CNC(=O)CCNC(=O)N1CCn2c1nc1ccccc12 6672266 RAXKZEHVNQJFBD-UHFFFAOYSA-N 329.404 1.728 0 40 EDAB COc1ccc(CNC(=O)C(=O)NCc2ccc(OC)cc2)cc1 4703044 DVFHNOIFAIRPES-UHFFFAOYSA-N 328.368 1.636 0 40 EDAB NC1(C(=O)N[C@H]2CCN(c3ncccc3F)C2)Cc2ccccc2C1 97019914 WLPGGZYHYGALCD-HNNXBMFYSA-N 340.402 1.412 0 40 EDAB CCc1noc(CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)n1 71794677 PKUHJOVAEIFYST-NSHDSACASA-N 341.458 1.883 0 40 EDAB O=c1cc(CSc2ncn[nH]2)nc2ccc(Br)cn12 7603399 LVAQWLJIJZWONK-UHFFFAOYSA-N 338.190 1.867 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)O[C@@H](C)C(=O)N1CCC(C)CC1 7738580 XUTFUZVBNKWWNU-NSHDSACASA-N 347.371 1.628 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)no1 71854864 ZVGCVTLOCQZVTC-UHFFFAOYSA-N 327.384 1.876 0 40 EDAB C[C@H](C(=O)Nc1nncs1)N1CCN(c2ccc(F)cc2)CC1 71893246 ZHMYKMREVKGYFN-LLVKDONJSA-N 335.408 1.826 0 40 EDAB Cc1ccc(S(=O)(=O)NC(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1 69342975 KGGPXAKPRCVKJX-ZIAGYGMSSA-N 341.429 1.774 0 40 EDAB CCOc1ccc(OCCNC(=O)CN2CC(n3cccn3)C2)cc1 71879102 KASMMJLCHNNWOS-UHFFFAOYSA-N 344.415 1.334 0 40 EDAB Cc1noc(C)c1[C@H](C)C(=O)N1CCCN(Cc2nccn2C)CC1 71863835 ZLFZDWNLPMNUHH-ZDUSSCGKSA-N 345.447 1.863 0 40 EDAB COCCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1cccc2c1OCCCO2 69558569 WZSWXRRYVLSEFU-CZUORRHYSA-N 349.383 1.859 0 40 EDAB in-vitro Cc1cn2nc(N3CCO[C@H](Cn4nc(C)nc4C)C3)sc2n1 72276527 JDPRABFKGSQGSZ-LBPRGKRZSA-N 333.421 1.213 0 40 EDAB C[C@H]1CN(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)CCO1 72272814 HYFHFNZXZZHMMT-ZDUSSCGKSA-N 335.404 1.084 0 40 EDAB CCn1c(=O)n(CC(=O)N[C@@H]2CCN(CC3CC3)C2)c2ccccc21 69665341 OYPONTAXUNNXKI-OAHLLOKOSA-N 342.443 1.423 0 40 EDAB CC(C)(C)NC(=O)Cn1cc(-c2cnc(-c3ccccn3)nc2)nn1 91848978 UHEHVLRPQMJBDC-UHFFFAOYSA-N 337.387 1.712 0 40 EDAB COc1ccccc1CNC(=O)CSc1nc(-c2ccn[nH]2)n[nH]1 71916344 ZKJARXHAMRKJMX-UHFFFAOYSA-N 344.400 1.612 0 40 EDAB COCCOCCOC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C 71913761 FDMVJXFDHDTHRG-LLVKDONJSA-N 335.422 1.503 0 40 EDAB COc1cc2[nH]c(=NC(=O)c3cccc(C(N)=O)c3)[nH]c2cc1OC 69744980 PDSUTBHHBUYCSR-UHFFFAOYSA-N 340.339 1.353 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)c2cccc(N3CCNC3=O)c2)cn1 69703084 KTNUREONUWNULW-MRXNPFEDSA-N 339.399 1.927 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3cn4ccccc4n3)CCO2)n1 72253439 GJWWQMCHFNNPDS-INIZCTEOSA-N 326.404 1.444 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1csc(N(CC)C(C)=O)n1)CC2 69808179 DSEODYDARKPGSV-GFCCVEGCSA-N 348.476 1.774 0 40 EDAB Cc1nnc(NC(=O)CN(C)[C@H]2CCCN(c3cccnn3)C2)s1 69845734 ZYBHWLHWALGKJT-LBPRGKRZSA-N 347.448 1.176 0 40 EDAB CN1CCN(C2CCN(C[C@H](O)COCc3ccccc3)CC2)C1=O 72253938 ZMJPYMLATRSJJQ-SFHVURJKSA-N 347.459 1.396 0 40 EDAB CC(C)CO[C@H](C)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69972545 UEFWQSBUKXCQCS-SJLPKXTDSA-N 334.460 1.925 0 40 EDAB COCCN1CC[C@@H](NC(=O)Nc2cc(F)c(N(C)C)c(F)c2)C1 69971878 KMQZKPKRWOBUQK-LLVKDONJSA-N 342.390 1.873 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)NC(C1CC1)C1CC1 69927161 TYMVPDSYIJPUQS-IAGOWNOFSA-N 333.476 1.767 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 69977033 NZVGPMKQAZQPPR-RDJZCZTQSA-N 329.444 1.888 0 40 EDAB Cc1oc(C)c(C(=O)N2CCN(C[C@H](C)O)CC2)c1Br 69980690 ZZYKLTLWRMOGFX-VIFPVBQESA-N 345.237 1.798 0 40 EDAB CCc1nc(NC(=O)CN2CCc3ncnc(OC)c3C2)sc1C 97201797 ADBAOPVHFIGKIJ-UHFFFAOYSA-N 347.444 1.809 0 40 EDAB Cc1[nH]cc(C(=O)Nc2ccc3nncn3c2)c(=O)c1Br 97238233 JDTNTENTJQTNGI-UHFFFAOYSA-N 348.160 1.741 0 40 EDAB CC(C)NC(=O)Nc1ccc(O)c(-c2nc(-c3nc[nH]n3)no2)c1 97375772 MVFYSYNKFYPBRC-UHFFFAOYSA-N 329.320 1.757 0 40 EDAB Cn1nnc2cc(C(=O)Nc3cc4c(=O)[nH]cnc4cc3F)ccc21 97373557 FCJDHGKTPVZALC-UHFFFAOYSA-N 338.302 1.596 0 40 EDAB C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](c1cc2ccccc2o1)C1CC1 73566572 JQFUZLPPZWWKOG-BMIGLBTASA-N 336.413 1.938 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)Cc2cccc(F)c2)C1(C)C 75143496 PDCGITFZTFAGSF-HUUCEWRRSA-N 336.407 1.804 0 40 EDAB COC[C@@](C)(O)CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1 75249162 BCIGQBLCSILIBJ-HNNXBMFYSA-N 325.748 1.574 0 40 EDAB O=C1NC[C@@H](C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)N1 89769617 LHJIBURXWLDEED-NSHDSACASA-N 338.339 1.632 0 40 EDAB CCC[C@](C)(O)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 76019202 PAIRMTBWNNYRQZ-SGTLLEGYSA-N 348.399 1.436 0 40 EDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@H](O)c2ccco2)cc1 76083039 OSPFCSBQFRVHBN-HOTGVXAUSA-N 342.395 1.929 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)COc2ccc(CC(N)=O)cc2)no1 76043489 MCFYRCWYDMIENF-AWEZNQCLSA-N 344.371 1.148 0 40 EDAB COc1ccc(C(=O)N2C[C@H]3OC[C@@H](CN4CCCC4)[C@H]3C2)cc1 306130495 JIDBVFLLQYHKRE-KBAYOESNSA-N 330.428 1.878 0 40 EDAB O=C(NCCCN1CCOCC1)c1cc2ccccc2c(=O)s1 20356292 BTKDYYOCNUCNJR-UHFFFAOYSA-N 332.425 1.714 0 40 EDAB O=C(NCc1cccnc1)C(=O)Nc1ccccc1C(=O)NC1CC1 408707483 BYRQFWPMRCCOQV-UHFFFAOYSA-N 338.367 1.229 0 40 EDAB O=C(C[C@@H]1SC2=NCCN2C1=O)Nc1ccc(OC(F)F)cc1 61719342 IHTLIUGGJYGVJR-JTQLQIEISA-N 341.339 1.930 0 40 EDAB C[C@@H](CN(C)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1nnn[nH]1 124153693 VPGIYSIRWSFNQQ-CPCISQLKSA-N 344.202 1.802 0 40 EDAB O=C(Cn1ccnc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 515183567 LDVUEDDHJMKUNM-INIZCTEOSA-N 332.379 1.212 0 40 EDAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccccc2C(N)=O)cc1 30857471 GCOUACRGUNPJAF-UHFFFAOYSA-N 348.380 1.514 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 521394154 UBXJGFDCNHUQDI-BBWFWOEESA-N 339.457 1.936 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 35670848 QACFCIRVDGDQGP-UHFFFAOYSA-N 332.425 1.844 0 40 EDAB C[C@H](Nc1cnn(C(C)(C)C)c1)C(=O)NC(=O)NCC(F)(F)F 186268902 XHDAWPWVWFDKSP-QMMMGPOBSA-N 335.330 1.827 0 40 EDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCCc1ccc(F)cc1F 79098706 RVKQNPJNGKANPS-LLVKDONJSA-N 348.415 1.972 0 40 EDAB Cc1nc(Nc2ccccn2)cc([C@H]2CCN(CC(=O)N(C)C)C2)n1 72382730 QJBUYVULYRQPNG-AWEZNQCLSA-N 340.431 1.801 0 40 EDAB O=C(NCCN1CCOCC1)NCc1ccc(C(F)(F)F)cc1 26182487 NONOJPHHIBLQMV-UHFFFAOYSA-N 331.338 1.837 0 40 EDAB Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2S(C)(=O)=O)n1 72360233 FBHQJGIHHGZVHQ-LBPRGKRZSA-N 334.405 1.415 0 40 EDAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](C)C(C)C)Oc2ccccc21 225209734 BQSBWSTVAALJIN-WFASDCNBSA-N 340.445 1.764 0 40 EDAB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc(Cn3cccn3)o2)C1 226745607 DLMHVXUDNNCXMY-ZDUSSCGKSA-N 342.399 1.655 0 40 EDAB O=C(CCc1ccccc1)N1CCCN(C(=O)c2cc[nH]n2)CC1 81810467 QUAIQUVLLIAMAA-UHFFFAOYSA-N 326.400 1.717 0 40 EDAB Cc1cnc2n(c1=O)C[C@H](C(=O)NCCc1ccncc1)CS2 85473768 VFOPHVHUQVYBMV-ZDUSSCGKSA-N 330.413 1.028 0 40 EDAB CC(C)Cc1ccccc1CNC(=O)N[C@H]1COC[C@H]1n1ccnn1 527918925 PJNXROMHMDJMKX-DLBZAZTESA-N 343.431 1.916 0 40 EDAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3C)cc1OCC(N)=O 49545907 OMPBMUHFCISQEC-SNVBAGLBSA-N 330.344 1.416 0 40 EDAB C[C@](CO)(NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1CC1 195540206 ICRQNYIBOZLJDU-VQIMIIECSA-N 346.475 1.754 0 40 EDAB CCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 225348814 MLVQUOXKVPQIDV-UHFFFAOYSA-N 340.430 1.787 0 40 EDAB O=C(c1cn(-c2ccccc2)cn1)N1CCN(c2ncccn2)CC1 227116110 UQJKCQBCGGTKGE-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB CO[C@H](C)[C@H](C)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 192208746 ZPGSVKXMROHTRG-LSDHHAIUSA-N 326.485 1.079 0 40 EDAB CCCN1CC[C@@](C)(O)[C@@H](NC(=O)COC)[C@@H]1c1cccs1 514289959 QEEZWNSZJOMEOG-HRCADAONSA-N 326.462 1.787 0 40 EDAB biogenic,in-vitro Cc1nnsc1C(=O)NCC1CCN([C@@H]2CCSC2)CC1 225567416 GWEATCAVKGCWII-GFCCVEGCSA-N 326.491 1.794 0 40 EDAB CCS(=O)(=O)NC1CCN(c2cc(Br)ccn2)CC1 195567299 NSAIDYDJJIUEBH-UHFFFAOYSA-N 348.266 1.752 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C[C@@H]2C(=O)O)cc1 96198731 OINJSBLQUOUIIA-JKSUJKDBSA-N 332.400 1.385 0 40 EDAB O=C1C[C@H](c2ccccc2)C2(CCN(C(=O)[C@H]3CCOC3)CC2)N1 96069695 PHDALMHWVVYQIM-JKSUJKDBSA-N 328.412 1.688 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)[C@@H]1COc3ccc(Cl)cc3C1)CC2 97198074 HGNNOTFZVWKJLT-JSGCOSHPSA-N 346.818 1.922 0 40 EDAB COC[C@H]1CN(S(=O)(=O)c2ccccc2C)Cc2cncn2C1 96207998 RPUCSDAMWWTUQZ-CQSZACIVSA-N 335.429 1.659 0 40 EDAB COCC(=O)N[C@H]1CCc2c(ccc(=O)n2Cc2cccc(C)n2)C1 96196624 ZHZAUUKXFQSOCN-HNNXBMFYSA-N 341.411 1.220 0 40 EDAB Cc1cccc(CN2CC3(CCN(CC4CC4)CC3)OCC2=O)n1 96062184 PMAGMPCRXGYMBQ-UHFFFAOYSA-N 329.444 1.993 0 40 EDAB CC(C)[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N1CCOCC1 96460339 FWRHLVRVRAHMIK-INIZCTEOSA-N 329.400 1.781 0 40 EDAB CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)C[C@](C)(O)C1CC1 533680891 HJWZRLIVXZVTHQ-KRWDZBQOSA-N 328.453 1.269 0 40 EDAB O=C1[C@@H](NC(=O)C(F)(F)C2(O)CCC2)CCN1C1CCCCC1 95450105 AANATDSCKGBNOZ-LBPRGKRZSA-N 330.375 1.587 0 40 EDAB Cc1oncc1C(=O)N1CCC2(CCN(c3ncccn3)CC2)C1 96062906 ZTWLDODPYSCWQZ-UHFFFAOYSA-N 327.388 1.906 0 40 EDAB CC(C)n1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc21 95475602 ANZCAWPWSUDSMJ-UHFFFAOYSA-N 349.456 1.940 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(c1cnccn1)CC2 96254569 KRSFFOIHXUUFRG-UHFFFAOYSA-N 326.404 1.017 0 40 EDAB O=C(NCc1cncc2c1CCN(C[C@H]1CCOC1)C2)c1ccno1 96067437 XBFGJAADNAJSFG-CYBMUJFWSA-N 342.399 1.394 0 40 EDAB CC(=O)N1CC[C@H](c2nnc3ccc(C(=O)NCC(C)C)cn23)C1 96267705 NNFOMBABKVYWIS-ZDUSSCGKSA-N 329.404 1.451 0 40 EDAB O=C1CCCN1C[C@@H]1OC[C@H]2CCN(C(=O)c3ccccc3)C[C@H]21 96064336 NJAQVKPGHCHHMS-ZACQAIPSSA-N 328.412 1.786 0 40 EDAB Cn1cc(N2CC3(CCN(Cc4ccccn4)CC3)OCC2=O)cn1 96070221 RPRHRJXOYUOMOZ-UHFFFAOYSA-N 341.415 1.213 0 40 EDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1cccs1 96121418 NXAKYNZDJMRARP-UHFFFAOYSA-N 333.417 1.693 0 40 EDAB CN(C)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2)[C@H]1Cc1cnn(C)c1 96200921 NFHXIXARCWHBCQ-MSOLQXFVSA-N 344.434 1.876 0 40 EDAB COc1ncccc1C(=O)N1CC[C@H]2OCC[C@@]2(c2nnc(C)o2)C1 96038824 PAAJFYWMLCAVFZ-CXAGYDPISA-N 344.371 1.354 0 40 EDAB CS(=O)(=O)CCNC(=O)/C=C/c1cc(Br)cs1 96430628 TYCNEHMWZJWHBU-NSCUHMNNSA-N 338.248 1.685 0 40 EDAB CC1=NO[C@H](CNC(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 585137660 NYWOOZNCLYWGNG-INIZCTEOSA-N 344.415 1.773 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(CO)cc(CO)c1 585131036 JNJTUSZYDBWRRQ-GTNSWQLSSA-N 329.352 1.838 0 40 EDAB COc1ncccc1CN1Cc2ncn(C)c2[C@H](C(=O)N2CCC2)C1 248038705 NRBKNARMFJTUFW-CQSZACIVSA-N 341.415 1.155 0 40 EDAB CN(C[C@]1(O)CCN(c2ccccn2)C1)C(=O)c1n[nH]c2c1CCC2 257241294 HXNFJDCRPKHQGA-GOSISDBHSA-N 341.415 1.007 0 40 EDAB CCn1cc(CN2CCCC[C@@H]2c2[nH]ncc2S(C)(=O)=O)cn1 257313372 USCTUSTYXGUXLK-CYBMUJFWSA-N 337.449 1.757 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)[C@@H]1COCCN1CC(F)(F)F 252480172 BXHDZUXOJVKPKU-STQMWFEESA-N 332.322 1.099 0 40 EDAB CCOc1cccc(CNC(=O)[C@H]2COCCN2CC(F)(F)F)c1 252497175 QAUPGCPYXGKCAO-CQSZACIVSA-N 346.349 1.965 0 40 EDAB COc1cccc(CC(=O)N2CCO[C@@H](c3cccc(N)n3)C2)c1 257253960 KBAILHACFWNYSV-MRXNPFEDSA-N 327.384 1.815 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@H](Cc2cccc(-c3ccnn3C)n2)C1 257230902 GELMFUHJYINNLY-CYBMUJFWSA-N 349.460 1.153 0 40 EDAB CCCS(=O)(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257250091 JKZYEKCVZROOKL-OAHLLOKOSA-N 327.450 1.085 0 40 EDAB CN(C)c1cc([C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)ccn1 257337713 YUBVDOAXMNNCSB-ZDUSSCGKSA-N 335.433 1.439 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC(Cc3cccnc3)CC2)CC1 257332176 XWCBMXPTIJDRBN-UHFFFAOYSA-N 331.460 1.710 0 40 EDAB COCC(=O)N1CCN(C(=O)c2ccc([C@H]3CCCOC3)cc2)CC1 543731609 JOUAOADCUMMJLA-KRWDZBQOSA-N 346.427 1.511 0 40 EDAB Cn1nccc1C(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257265880 MASQKASQHVEPNW-UHFFFAOYSA-N 326.360 1.188 0 40 EDAB CC(C)(F)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1 252498684 RIOLNSDTQSLGQE-UHFFFAOYSA-N 334.395 1.827 0 40 EDAB Cc1onc(C(C)C)c1C(=O)N1CC[C@@H]2OCC(=O)N(C)[C@H]2CC1 257211978 CBJRNJYLMYZACJ-STQMWFEESA-N 335.404 1.568 0 40 EDAB O=C(O)[C@H]1CN(C(=O)c2ccc(OCC(F)(F)F)cc2)CCO1 262969192 LGOIFUANJHAWKY-LLVKDONJSA-N 333.262 1.553 0 40 EDAB CCc1oc2ccccc2c1CC(=O)Nc1nc(S(C)(=O)=O)n[nH]1 530262584 ULPYXVADDDEGLY-UHFFFAOYSA-N 348.384 1.698 0 40 EDAB C[C@H](CNC(=O)NCc1ccc(N)nc1)N1CCc2ccccc21 1615057342 SGJSYLDXOSNWAK-CYBMUJFWSA-N 325.416 1.914 0 40 EDAB C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1cn(C)c(=O)n(C)c1=O 1615548204 IEYBQVKJVQGIDT-VIFPVBQESA-N 333.775 1.329 0 40 EDAB CSCC[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)C(N)=O 600264485 TXPRVEBBSCSHQW-AWEZNQCLSA-N 332.429 1.268 0 40 EDAB COc1cccc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c1 390831656 TXHUWKDINFQYLP-ZDUSSCGKSA-N 338.371 1.142 0 40 EDAB O=C(NCc1ccco1)[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575403549 GOEGYRHDTJXKFA-OAHLLOKOSA-N 328.372 1.476 0 40 EDAB CO[C@@H]1CN(C(=O)c2ccnnc2)C[C@]12C[C@H](c1ccccc1)CO2 585287745 DLSHGCDBSOEXQP-YQVWRLOYSA-N 339.395 1.890 0 40 EDAB Cc1ncncc1C(=O)N1CCO[C@](CO)(Cc2ccccc2F)C1 585278851 VZMQPJBIESCPEO-GOSISDBHSA-N 345.374 1.370 0 40 EDAB COc1ncccc1CN1CC(F)(F)C[C@@]2(CCN(C)C2=O)C1 585093439 WQEKTILXPFNTHW-HNNXBMFYSA-N 325.359 1.780 0 40 EDAB CN(C)C[C@H]1CCn2nccc2CN1C(=O)Cc1cccc(F)c1 585097877 SLWIXUAIDYDPMU-MRXNPFEDSA-N 330.407 1.927 0 40 EDAB O=C(O)COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]3C[C@H]32)cc1F 926556557 WUWRRAISXPZRQG-UFGOTCBOSA-N 343.376 1.756 0 40 EDAB CCc1c(C(=O)N2CCO[C@H](CC)C2)cnn1-c1ccc(OC)nn1 30849232 GBFCXDITCZOLKI-GFCCVEGCSA-N 345.403 1.484 0 40 EDAB O=C(CN1CCN(C(=O)C2CC2)CC1)NCc1ccccc1Cl 35286673 SKDDHRHTYUNQAF-UHFFFAOYSA-N 335.835 1.510 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C[C@H]2CCOC2)CC1 47717762 CLJZJFOALJUDCL-OAHLLOKOSA-N 345.509 1.150 0 40 EDAB Cc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cn1 58328113 COQPBVVGVRODEW-UHFFFAOYSA-N 327.388 1.898 0 40 EDAB Cc1[nH]c2c(C(=O)NCCN3CCCS3(=O)=O)cccc2c1C 58431646 XDCFHPYMSUISPL-UHFFFAOYSA-N 335.429 1.550 0 40 EDAB C[C@H](Nc1ccc(OCC(F)(F)F)nc1)C(=O)N1CCNC1=O 56156093 RLZZMVMPRSYBGU-QMMMGPOBSA-N 332.282 1.375 0 40 EDAB CC(=O)N1CCN([C@@H]2CN(CCOc3cccc(C)c3)C[C@@H]2C)CC1 76055759 LBEGFVTYAQCVAX-FXAWDEMLSA-N 345.487 1.858 0 40 EDAB COc1ccccc1OCC(=O)Nc1ccc(-c2nnn[nH]2)cc1 74803943 ZELXJMZBBTYOIG-UHFFFAOYSA-N 325.328 1.893 0 40 EDAB CS(=O)(=O)C[C@H]1CCCN(c2nnc(C(F)(F)F)s2)C1 581763001 CMIFIVMHJVRRQD-ZETCQYMHSA-N 329.369 1.818 0 40 EDAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NC[C@H]1CCCO1 11977939 XSULUHFJKGXHFY-CQSZACIVSA-N 346.456 1.793 0 40 EDAB O=C(CN1CCC(c2ccc3c(c2)OCO3)CC1)N1CCOCC1 12113972 BWTBPUBXOSXWAX-UHFFFAOYSA-N 332.400 1.454 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(C(=O)O)cc1 13688956 BZORTSVNJRHFNN-OKILXGFUSA-N 342.351 1.665 0 40 EDAB CC[C@H](C)S(=O)(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 19500004 GURRQAFKUZWYHN-ZDUSSCGKSA-N 347.440 1.895 0 40 EDAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)CCOC)CC2 19711445 JRZVDWZZVCQZFR-ZDUSSCGKSA-N 347.463 1.249 0 40 EDAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)N1CCCCC1 4564789 QDILMKMGFDIGKG-VBKFSLOCSA-N 330.384 1.719 0 40 EDAB Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCCN(C(=O)CN)C2)n1 643550502 ISHCUJHSVWAHPG-GFCCVEGCSA-N 346.460 1.958 0 40 EDAB Cc1cc(CN2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)on1 1888897003 AMOZXMMSGSEACF-BETUJISGSA-N 339.403 1.228 0 40 EDAB Cn1c(N2CC[C@@H](C(=O)NC(C)(C)C)C2)nc2ccsc2c1=O 1888913270 QQUDVDAMLGOVPP-SNVBAGLBSA-N 334.445 1.736 0 40 EDAB Cc1nc(CN2CCN(c3ccc(-n4cccn4)nn3)CC2)cs1 1889139195 KGPVUUQVLYVBJW-UHFFFAOYSA-N 341.444 1.749 0 40 EDAB COc1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 22409512 GIBBWVNYRSHJRC-UHFFFAOYSA-N 342.398 1.143 0 40 EDAB COc1ccccc1S(=O)(=O)NCCn1ccc2ccoc2c1=O 238831500 GADPZBTXGNZUJZ-UHFFFAOYSA-N 348.380 1.582 0 40 EDAB COc1cc(CNC(=O)c2ccc(OC[C@H]3CCCO3)nc2)ccn1 245187634 ZRNDSDJBMRLQHR-OAHLLOKOSA-N 343.383 1.973 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCc3onc(C(=O)NC(C)C)c3C2)nc1 2055745475 CIZVDVMNABFNFV-GFCCVEGCSA-N 342.399 1.804 0 40 EDAB COc1ccc(CCNc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1 22767826 FGNLIKJNTVDXCT-UHFFFAOYSA-N 340.383 1.295 0 40 EDAB O=C([C@H]1CCCCO1)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775965769 KMPSHRPKMISKSK-MRXNPFEDSA-N 331.416 1.853 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)NCc2ccc(F)cc2)CC1 43980510 MUGKVYIYCOAPJO-UHFFFAOYSA-N 343.424 1.297 0 40 EDAB Cc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)o1 49026916 FUTAQMHDPQPOMZ-NSHDSACASA-N 332.312 1.105 0 40 EDAB Cc1ccn2cc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)nc2c1 40047476 SEEMQBKFGPVCLW-INIZCTEOSA-N 330.432 1.729 0 40 EDAB O=C(NC[C@H]1CCCO1)NCC1(N2CCSCC2)CCCC1 40539906 UJLTUASHFPZHHJ-CQSZACIVSA-N 327.494 1.826 0 40 EDAB CCOC(=O)NCCNC(=O)NC1[C@H]2CCC[C@H]1CN(C1CC1)C2 100971807 ORHOPRXJGCRLLY-STQMWFEESA-N 338.452 1.295 0 40 EDAB CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1CCS(=O)(=O)C1 32768187 OVCUWOBQLFFJFH-SECBINFHSA-N 345.442 1.860 0 40 EDAB O=C(NCCc1ccccn1)C1CCN(C(=O)c2ccccn2)CC1 52707715 DJDCNHCCZOOMRC-UHFFFAOYSA-N 338.411 1.688 0 40 EDAB CCn1c(=O)n(CCC(=O)N2C[C@H](C)O[C@H](C)C2)c2ccccc21 21898133 DIZDIRBDAHZMCW-OKILXGFUSA-N 331.416 1.849 0 40 EDAB Cc1noc([C@@H]2CCCN([C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)C2)n1 52861691 APDQKOOFNFNWMK-SFDCQRBFSA-N 336.436 1.582 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NC(=O)C2CC2)CC1 42080255 KEYKYPXVCXHPED-LLVKDONJSA-N 339.436 1.417 0 40 EDAB CS(=O)(=O)c1ccc(-c2noc(-c3ccc4nncn4c3)n2)cc1 78803050 CBOSOWBJEHQOBB-UHFFFAOYSA-N 341.352 1.850 0 40 EDAB C[S@@](=O)c1nncn1CC(=O)c1cccc(Br)c1 78989646 KHSWYUHUUGPZNL-SFHVURJKSA-N 328.191 1.661 0 40 EDAB COC(=O)[C@@]1(NC(=O)c2sc(C)cc2OC(F)F)CCOC1 79071380 MZKQCJRSDIODBR-CYBMUJFWSA-N 335.328 1.720 0 40 EDAB C[C@@H](NC(=O)CN1CCN(CCO)CC1)c1ccc2ccccc2c1 22944683 XCWINOLXSGUQGB-MRXNPFEDSA-N 341.455 1.627 0 40 EDAB Cc1ccc([C@H](CNC(=O)CCn2cccn2)N2CCOCC2)o1 42484217 SGGMXMOUYUFDGG-HNNXBMFYSA-N 332.404 1.364 0 40 EDAB O[C@@H](COC[C@H]1CCCO1)CN1CCN(c2ccc(F)cc2)CC1 23624365 VNJZFNLEGRFFSN-QZTJIDSGSA-N 338.423 1.504 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCN(CCc2ccncc2)CC1 23702100 YQYKZSLTIZQMFI-UHFFFAOYSA-N 345.468 1.772 0 40 EDAB CC[C@@H](C)NC(=O)c1cnc(NS(=O)(=O)c2ccccc2)nc1 6553219 YHQJEBOVSCUBMZ-LLVKDONJSA-N 334.401 1.806 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCO1)n1nnc(-c2ccc(Cl)cc2)n1 23939040 OHWBHUCMUMCAQE-ZWNOBZJWSA-N 335.795 1.850 0 40 EDAB Cn1nc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)ccc1=O 12543087 FMYVWIBEBOBZMI-UHFFFAOYSA-N 348.790 1.523 0 40 EDAB C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1nncn1C 43135965 YZUQQVHWIGNPSD-KBPBESRZSA-N 346.435 1.996 0 40 EDAB O=C(CN1CCCN(C(=O)NCc2ccccc2)CC1)N1CCCC1 24691816 LRMJTTBJJQILGI-UHFFFAOYSA-N 344.459 1.526 0 40 EDAB Cc1cnn(CC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 55178413 AUDFEVLPUCWFLM-UHFFFAOYSA-N 330.363 1.315 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3C)c2c(=O)[nH]n(C)c2n1 24995617 ZZGSSHXKBRCIKJ-LBPRGKRZSA-N 340.387 1.111 0 40 EDAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)c2ccccc2)s1 8474355 CJUCKKSXBDYDRW-UHFFFAOYSA-N 333.369 1.991 0 40 EDAB COC(=O)C1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1 55413433 ASACUEOQACZZHM-UHFFFAOYSA-N 327.384 1.826 0 40 EDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC(O)CC1 26296021 GFNFNCYGDRPYPG-AWEZNQCLSA-N 333.432 1.203 0 40 EDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)C1CC1 20727748 XGZSSNZTZFXFTQ-GFCCVEGCSA-N 349.818 1.335 0 40 EDAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)NC1CCCC1 57842702 HIIOCPDNQGHYPS-LBPRGKRZSA-N 339.461 1.386 0 40 EDAB Cc1nc2ccnn2c(C)c1CCC(=O)N1CCC(C(N)=O)CC1 48209805 WLVVOXNXEOQDCZ-UHFFFAOYSA-N 329.404 1.003 0 40 EDAB Cn1nc(C(C)(C)C)cc1NC(=O)C1CCN(S(C)(=O)=O)CC1 44894776 SYOZFFCVSYQMDH-UHFFFAOYSA-N 342.465 1.328 0 40 EDAB CCC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58295280 NEGHCGGATWIDPA-QGZVFWFLSA-N 335.379 1.898 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)COC[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 101244433 ACRQKMKKIIBDSE-VQHPVUNQSA-N 340.464 1.574 0 40 EDAB Cc1noc([C@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 27765367 QFTANZWDUFVHBR-LBPRGKRZSA-N 330.388 1.986 0 40 EDAB CCn1cnnc1CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1 44942477 FWPPRWQOILZINO-HNNXBMFYSA-N 330.388 1.786 0 40 EDAB COc1ccc(CN2CCCN(C(=O)[C@H](C)n3cncn3)CC2)cc1 44910960 OGTOANSXLGIOHY-HNNXBMFYSA-N 343.431 1.582 0 40 EDAB CC[C@@H](NC(=O)c1cc(OCC(=O)N(C)C)n(C)n1)c1ccccc1 57312621 ZYZDZGWFAOJNHT-CQSZACIVSA-N 344.415 1.768 0 40 EDAB Cc1cc(OCC(=O)N[C@@H](C)C(=O)O)c2c3c(c(=O)oc2c1)CCC3 2121592 UYZIKRNKXZIFFH-JTQLQIEISA-N 345.351 1.558 0 40 EDAB biogenic O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccnc(-n2cncn2)c1 58329003 YNJHDHOJDDMHDD-CQSZACIVSA-N 348.366 1.198 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)NCCOc1cccc(Cl)c1 58355766 CJTDXBJFNJQZIJ-LLVKDONJSA-N 331.821 1.660 0 40 EDAB CC(=O)N1CCCN([C@@H]2CN([C@H](C)c3nnc(C)o3)C[C@@H]2C)CC1 84291309 UAZQWYYYLDZCEF-WOSRLPQWSA-N 335.452 1.314 0 40 EDAB CN(C)S(=O)(=O)c1cccc(COC(=O)C2(O)CCCCC2)c1 48344987 CUPXCQKRXFSOCY-UHFFFAOYSA-N 341.429 1.675 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)NCc1nnc2n1CCCCC2 45570741 KRJZVWPOJUSKKZ-UHFFFAOYSA-N 343.387 1.733 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccn(C)c(=O)c1 29022841 LZYGZPDAIVWULQ-GFCCVEGCSA-N 348.424 1.622 0 40 EDAB CN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccc2c(c1)OCCO2 45735556 VFBBIEDPBOJRPU-UHFFFAOYSA-N 333.388 1.220 0 40 EDAB Cc1nc(Cc2nnc(SCCN3C(=O)CCC3=O)o2)cs1 23103624 GAHOJRDGFKUIEC-UHFFFAOYSA-N 338.414 1.666 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1F 2659871 RXRYXPWRZKMBFO-ZDUSSCGKSA-N 341.335 1.939 0 40 EDAB C[C@@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)NC(=O)CO2 48765904 KTNUNMXBNUPLSL-GFCCVEGCSA-N 343.387 1.665 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)C[C@@H](C)O1 13140005 WRLLFZQYISGQLD-BETUJISGSA-N 337.420 1.267 0 40 EDAB CN(C)S(=O)(=O)c1ccc(Cn2cc(Br)cn2)o1 49066057 QYPWLDLNYDCABP-UHFFFAOYSA-N 334.195 1.537 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4184406 GRONKVZAUHQTIG-MISXGVKJSA-N 346.305 1.813 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(CN2CCCC2=O)cc1 65473431 UIIJIAPWCSKAJD-INIZCTEOSA-N 338.411 1.750 0 40 EDAB Cn1c(=O)c(CN(CC(N)=O)C2CCCC2)nc2cc(F)ccc21 65491027 YGNKDRLCKUOABO-UHFFFAOYSA-N 332.379 1.303 0 40 EDAB Cc1ccc(OCC(=O)NCCNC(=O)c2ccccn2)cc1C 4487411 LPTAJUWYUZFZAI-UHFFFAOYSA-N 327.384 1.623 0 40 EDAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1Cl 14018014 KEOVXJSTEWRBCQ-UHFFFAOYSA-N 331.763 1.731 0 40 EDAB COc1cc(CNC(=O)Cc2csc(C)n2)ccc1OCC(N)=O 65522044 PRBALYNAWZFUPL-UHFFFAOYSA-N 349.412 1.183 0 40 EDAB CCN1CCN([C@H](C)CNC(=O)NCc2nc(C)cs2)CC1 65553204 GBNQHJRCTLEMAM-CYBMUJFWSA-N 325.482 1.277 0 40 EDAB CC(C)CNC(=O)[C@H]1CSCN1S(=O)(=O)c1cccc(F)c1 65537704 BNJGYCRDSIQKQQ-CYBMUJFWSA-N 346.449 1.662 0 40 EDAB CC(C)NC(=O)Nc1cccc(C(=O)N[C@H](C)CN2CCCC2=O)c1 65520458 HCFYIEHOBLBNJR-CYBMUJFWSA-N 346.431 1.957 0 40 EDAB Cc1nnnn1-c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1 96118328 DOHHUQHQOKUNNG-UHFFFAOYSA-N 347.382 1.820 0 40 EDAB CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O 14139505 KORBIBXYBJTYTL-KRWDZBQOSA-N 329.356 1.724 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H](C)C(=O)N1CCCC1)C2 65621679 HETIZKVIMQUFLK-JSGCOSHPSA-N 332.400 1.373 0 40 EDAB CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1 6508457 NSRPZDFBMFBDGL-GFCCVEGCSA-N 327.340 1.458 0 40 EDAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)NC(N)=O 6549664 ODXQAMYGXFDPTL-SECBINFHSA-N 331.401 1.820 0 40 EDAB CCOc1ccc([C@H](C)NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 9499853 OKABNJSGQUIVCT-NSHDSACASA-N 345.399 1.580 0 40 EDAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(C)ccc1C 15299046 CVBHWTDLAUGHNY-INIZCTEOSA-N 338.473 1.429 0 40 EDAB Nc1nc(N)nc(CSCC(=O)NCC2(c3ccccc3)CC2)n1 95351474 KCXLOYLLOCROCM-UHFFFAOYSA-N 344.444 1.117 0 40 EDAB O=C1CN(Cc2nnc(-c3ccc(Br)o3)o2)CCN1 15479643 VTMCEVFDILAXHG-UHFFFAOYSA-N 327.138 1.024 0 40 EDAB CCc1noc(CN(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)n1 71794676 PKUHJOVAEIFYST-LLVKDONJSA-N 341.458 1.883 0 40 EDAB Cc1cccc(OCCN2CCN(CCn3ccccc3=O)CC2)c1 95360761 GXCVKICIMUBLCK-UHFFFAOYSA-N 341.455 1.853 0 40 EDAB Cc1ccccc1[C@H](CC(=O)N1CCc2cncnc2C1)NC(N)=O 95396038 RYIBIHXAJDFSNL-HNNXBMFYSA-N 339.399 1.469 0 40 EDAB O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1=CCCCO1 96466857 IJPXUNBDPHJQDG-INIZCTEOSA-N 328.412 1.888 0 40 EDAB CC(C)n1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1 96420860 BAWJQOGYIVCPJJ-SFHVURJKSA-N 342.443 1.981 0 40 EDAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCN(C)Cc1ccccc1 83713465 GXVORGHEDFNDRZ-INIZCTEOSA-N 342.447 1.853 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)N(C)Cc2ccsc2)C[C@H]1C 71864322 ZXNLUKMKVJXVTN-ZIAGYGMSSA-N 325.478 1.093 0 40 EDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cnn(-c2ccccc2)c1 71857646 OAHPDFJKDSRZEL-NVXWUHKLSA-N 343.383 1.883 0 40 EDAB CN1CCN(CCCN(C)C(=O)c2nccc3ccccc23)CC1 71896511 GMDPCVIGAZHKES-UHFFFAOYSA-N 326.444 1.944 0 40 EDAB Cc1cc(C(=O)NC2CCN([C@H](C(N)=O)c3ccccc3)CC2)no1 71826845 CLQYPIABQWSJMO-INIZCTEOSA-N 342.399 1.404 0 40 EDAB COc1cc(NC(=O)NCCCS(C)(=O)=O)cc(OC)c1OC 69323304 XXGDRZWSELGPLQ-UHFFFAOYSA-N 346.405 1.269 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCOc4ccccc43)CCO2)n1 83829805 UKAFBHPOJVBUQK-HIFRSBDPSA-N 342.399 1.833 0 40 EDAB CSc1nn(C)c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1C(N)=O 71911314 LINZJIFUWVLOFG-SNVBAGLBSA-N 348.428 1.955 0 40 EDAB NC(=O)c1ccsc1NC(=O)Cn1cnc2sccc2c1=O 8394849 AQYNKMWMKZTGDQ-UHFFFAOYSA-N 334.382 1.257 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3nnnn3-c3ccccc3)CCO2)c1 69445523 FXLAJIFIOKJBJE-MRXNPFEDSA-N 339.403 1.068 0 40 EDAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)Cc1ccc(-n2cnnn2)cc1 69527635 SGBQSZIPXGWOEE-DLBZAZTESA-N 349.394 1.886 0 40 EDAB Cn1ccnc1[C@H]1[C@@H](C(=O)O)CC(=O)N1CCc1ccc(F)cc1 69700031 TZBSNPSBEGQJFD-DZGCQCFKSA-N 331.347 1.776 0 40 EDAB Cc1cccnc1CNC(=O)NCc1ccc(S(N)(=O)=O)s1 69740872 MEBZPONUGGRBEV-UHFFFAOYSA-N 340.430 1.098 0 40 EDAB CCCc1noc(CCCC(=O)N(CC(N)=O)Cc2ccccc2)n1 69738186 JZZSIXFNDOLMMW-UHFFFAOYSA-N 344.415 1.859 0 40 EDAB CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)CCn1cncn1 69705653 KRDPNCBLHVFMID-UHFFFAOYSA-N 334.351 1.399 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1nc(Cc3ccccc3)no1)CC2 69779949 MGTKHGKQMFAHJG-AWEZNQCLSA-N 338.415 1.919 0 40 EDAB Cc1ccc(NC(=O)N2CCNC(=O)C2)c(OC[C@@H]2CCCO2)c1 69873148 YWOYWBYFCDIWRW-ZDUSSCGKSA-N 333.388 1.517 0 40 EDAB COCCc1noc(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)n1 69869503 BTWVWOQCPAEPRD-CQSZACIVSA-N 334.424 1.379 0 40 EDAB Cn1cc(CCNC(=O)N2CCC[C@H](Cc3nccn3C)C2)cn1 95424303 FRKQOMMGNMCUAH-CQSZACIVSA-N 330.436 1.360 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)c1 69970097 QCZXMAGZKVIAHF-OAHLLOKOSA-N 347.440 1.982 0 40 EDAB Cc1cc(C)nc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1 97081346 ZAZBLVWSZXXJHX-OAHLLOKOSA-N 338.477 1.924 0 40 EDAB CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2nc(C3CC3)no2)C1 95402280 JYRQUHKYNJYZDN-CYBMUJFWSA-N 344.419 1.914 0 40 EDAB Cc1c(C(=O)NC[C@@H](C)O)sc2nc3n(c(=O)c12)CCCCC3 98075837 AVYXDFFNKALXEH-SECBINFHSA-N 335.429 1.603 0 40 EDAB Cc1cnn(-c2cccc(NCc3cccc(S(N)(=O)=O)c3)n2)c1 95983913 CLIJEPDPXCTWFG-UHFFFAOYSA-N 343.412 1.835 0 40 EDAB O=C(NCCN1CCNCC1)[C@H]1C[C@H]1c1c(F)cccc1Cl 95971541 NUOSMJDDESZXIE-NEPJUHHUSA-N 325.815 1.604 0 40 EDAB Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccc(Cl)cc2F)n1 95942800 ZCJZOSLUWLTJOQ-UHFFFAOYSA-N 337.742 1.968 0 40 EDAB COc1ccc(C)cc1NC(=O)CN1CCN(c2cnccn2)CC1 95947297 XWLLFOJDZKYGKO-UHFFFAOYSA-N 341.415 1.554 0 40 EDAB CN1CCN(C[C@H](O)CN(C)C(=O)C[C@H]2CCc3ccccc32)CC1 89382655 GWUXFQIDMYLXFZ-QZTJIDSGSA-N 345.487 1.173 0 40 EDAB CN1CCN(C[C@@H](O)CN(C)C(=O)C[C@@H]2CCc3ccccc32)CC1 89382652 GWUXFQIDMYLXFZ-ROUUACIJSA-N 345.487 1.173 0 40 EDAB CCn1nc(C)cc1C(=O)N[C@@](C)(C(N)=O)c1cccc(Cl)c1 89300363 ZORHKSUUJRFIAH-MRXNPFEDSA-N 334.807 1.995 0 40 EDAB COC(=O)COc1cccc(NC(=O)[C@H](C)NC(=O)c2ccco2)c1 25466228 DRMNXDYRDQLEKZ-NSHDSACASA-N 346.339 1.588 0 40 EDAB CC(C)c1nc(S(=O)(=O)NCc2ccnc(-n3ccnc3)c2)c[nH]1 75091881 XVWZBPBLGCTBAX-UHFFFAOYSA-N 346.416 1.592 0 40 EDAB CCOC(=O)c1csc(NC(=O)c2cc(C(N)=O)cs2)n1 75136861 WWYOSTVSDKSAJN-UHFFFAOYSA-N 325.371 1.733 0 40 EDAB COc1ccc(C(=O)N2CCN(c3nncc4ccccc34)CC2)cn1 75144825 UVSCTKAHICYTNE-UHFFFAOYSA-N 349.394 1.996 0 40 EDAB CCN1CCO[C@@H](CN2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)C1 75129535 MJFDJSRFUOYDEX-GOEBONIOSA-N 349.479 1.346 0 40 EDAB Cc1nc(CNC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)no1 89718373 WOVPJUCEGMYTFT-SNVBAGLBSA-N 336.783 1.505 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 89895971 DTYZEBLGZLVDKD-QWHCGFSZSA-N 346.431 1.262 0 40 EDAB O=C(N[C@H]1CCOC[C@]12CCN(Cc1ccccn1)C2)N1CCCC1 306135694 OXXQELVUKWZOGS-PKOBYXMFSA-N 344.459 1.868 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NCCC2=CCCCC2)s1 36182544 OUXJPZKPHLSTAV-UHFFFAOYSA-N 330.435 1.665 0 40 EDAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)C2 306135182 OKHYOGIAVDUJEQ-RHSMWYFYSA-N 330.428 1.559 0 40 EDAB CCS(=O)(=O)NCCNC(=O)c1ccc(SC(F)(F)F)o1 521396392 UHNDLKMDMRZYKN-UHFFFAOYSA-N 346.352 1.561 0 40 EDAB Cc1ccc(CCCC(=O)N2CCN(S(C)(=O)=O)CC2)s1 79388045 WEVZXWJOWWCBIZ-UHFFFAOYSA-N 330.475 1.483 0 40 EDAB CN(C)C(=O)Cn1ccc2cc(NC(=O)NC[C@@H]3CCOC3)ccc21 78611602 HUUVQDHYLUUSSN-ZDUSSCGKSA-N 344.415 1.888 0 40 EDAB CC(C)N(C(=O)CN)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79392954 KTBYPKYWTOUDFF-MRXNPFEDSA-N 333.432 1.983 0 40 EDAB CNC(=O)c1cc(C)nc([C@]2(C)CCCN2c2cc(C)nc(N)n2)n1 72388439 YVBOGQLAIZHBMN-KRWDZBQOSA-N 341.419 1.341 0 40 EDAB CC(C)C[C@H](CNC(=O)[C@@H](C)OCC(F)(F)F)N1CCOCC1 42879427 ASNHFCBTVYEWFX-CHWSQXEVSA-N 340.386 1.817 0 40 EDAB CCc1ccccc1NS(=O)(=O)c1nnc(NC(C)=O)s1 36182781 GBOLJQKUVMZKON-UHFFFAOYSA-N 326.403 1.860 0 40 EDAB CN(C)CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 72510397 QYAVFOKORNAERZ-UHFFFAOYSA-N 347.868 1.028 0 40 EDAB C[C@H](c1cccnc1)N1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 79352993 NEZKOHZHODONNQ-GFCCVEGCSA-N 344.440 1.761 0 40 EDAB CC(C)n1cncc1CN1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 566969938 ZVURJMWPZDIYQL-AWEZNQCLSA-N 330.436 1.544 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 72380462 IHBHSXAAHGOEIK-CQSZACIVSA-N 340.449 1.569 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)N1CCC(c2cc(C(N)=O)[nH]n2)CC1 225559234 YGFOAZNLMLWYGN-LBPRGKRZSA-N 342.399 1.682 0 40 EDAB C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)C(=O)N1CCOCC1 62886716 PYAPPFDVUNKYKT-HNNXBMFYSA-N 346.427 1.098 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@](C)(O)CSC 75157312 GDYUEEQAIXSLAV-LBPRGKRZSA-N 339.866 1.741 0 40 EDAB CCC(C)(C)NC(=O)[C@H](C)N1CCN(c2nc(C)ns2)CC1 81576916 NHAZUIFCGAQGNJ-NSHDSACASA-N 325.482 1.662 0 40 EDAB CN(CCNC(=O)NCCc1nnc2n1CCC2)c1ccccc1 86360840 MMDHMDQTJLASAD-UHFFFAOYSA-N 328.420 1.202 0 40 EDAB Cc1cccc(NC(=O)CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)n1 69615782 LKGGNBHFVXKTTI-NSHDSACASA-N 344.337 1.424 0 40 EDAB COc1ccc([C@@H]2[C@@H](C(=O)NC[C@H]3CCCO3)CCC(=O)N2C)cc1 226220145 QUBSZAVWPLFYQK-SOLBZPMBSA-N 346.427 1.900 0 40 EDAB C[C@H](CO)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 575443619 YSMKXDVVQLZIJJ-SNVBAGLBSA-N 346.836 1.381 0 40 EDAB Cc1cccc(OC[C@@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)O)c1 573798435 GPYNDANNWABPJY-OCCSQVGLSA-N 342.417 1.146 0 40 EDAB O=S(=O)(NC[C@]1(O)CCOc2ccccc21)c1cccs1 85554960 BASCAFSCIOCPFZ-CQSZACIVSA-N 325.411 1.697 0 40 EDAB O=C(NCC1CCN(Cc2ccsc2)CC1)C(=O)Nc1ccon1 43940890 UZHYJCXIZMVUSP-UHFFFAOYSA-N 348.428 1.703 0 40 EDAB COC[C@@H](C)N1CCN(C(=O)c2cc(Br)cn2C)CC1 80303422 NWKQOLCEHHYILY-LLVKDONJSA-N 344.253 1.580 0 40 EDAB C[C@@H]1CCCN(C(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)C1 224051088 WUDMGFXXLMAZCX-CYBMUJFWSA-N 340.445 1.720 0 40 EDAB Cc1ccc(F)cc1CNCCS(=O)(=O)N1CCSCC1 195552847 LIBZDAUSMADDGC-UHFFFAOYSA-N 332.466 1.602 0 40 EDAB Cc1nc(Cn2cnc3c(c(Br)nn3C)c2=O)cs1 96430164 QNHUONOIXSTTCN-UHFFFAOYSA-N 340.206 1.706 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2C(=O)[C@H]2CCOC2)N1Cc1cccnc1 96186360 SXGQLJQJDQMAQM-JYJNAYRXSA-N 329.400 1.210 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1nc(C2CC2)n[nH]1 95473917 XZMLCLLOJQNVEC-UHFFFAOYSA-N 328.376 1.146 0 40 EDAB Cc1nc(CN2CC3(CCN(C(=O)C4CC4)CC3)OCC2=O)cs1 96201430 QHKUGRDKGFCNJP-UHFFFAOYSA-N 349.456 1.582 0 40 EDAB O=C(N1CCC2(CCN(Cc3ccccc3)CC2)C1)[C@]1(O)CCOC1 583071508 ZGPOERTYNCGSMN-FQEVSTJZSA-N 344.455 1.653 0 40 EDAB COC(=O)CC1CCN(C(=O)CCCc2nnc3ccccn23)CC1 96232612 RYFVICLUMPAYGU-UHFFFAOYSA-N 344.415 1.854 0 40 EDAB COC(=O)[C@H](NC(=O)CSC[C@@H]1CCCCO1)c1cccnc1 579252086 SQJBAWQTNPTMOG-DZGCQCFKSA-N 338.429 1.714 0 40 EDAB CN1CCC(C)(CNC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)CC1 580092955 VNFSWUHGMUJTEB-HXUWFJFHSA-N 343.471 1.683 0 40 EDAB CN1C[C@H](C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1=O 96409370 QVNQHQACQXBJDS-SSDOTTSWSA-N 332.244 1.808 0 40 EDAB C[C@@H](CC(=O)N1CCN(C(=O)[C@H]2CCCCN2)CC1)c1ccccc1 96481185 DLLIACHQFJWXGY-FUHWJXTLSA-N 343.471 1.993 0 40 EDAB Cn1cc(Nc2cccc(NS(=O)(=O)N3CCOCC3)c2)cn1 330158736 QFHCZGQNACYCMK-UHFFFAOYSA-N 337.405 1.153 0 40 EDAB CCc1nncn1CCNC(=O)N1CCO[C@@H](Cc2ccccc2)C1 96494013 XDBGNDPEWXARPT-INIZCTEOSA-N 343.431 1.494 0 40 EDAB CCS(=O)(=O)N1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 96202191 ITZLQYQWECGLJZ-HNNXBMFYSA-N 344.502 1.622 0 40 EDAB CN1C(=O)C[C@@H](C(=O)Nc2nncs2)[C@@H]1c1ccc2c(c1)OCO2 95477352 MNTRXEBDNMICNH-RNCFNFMXSA-N 346.368 1.425 0 40 EDAB C[C@@H]1C[C@@H]1c1noc(CC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)n1 585121507 RGNKBFYGTXNLBN-BNOWGMLFSA-N 346.431 1.500 0 40 EDAB CN(C)C[C@@H]1CC[C@@]2(COCCN(Cc3ccc4c(c3)OCO4)C2)O1 248125018 OJPUKMKVQWLMGV-QFBILLFUSA-N 348.443 1.727 0 40 EDAB CCCn1cc(-c2cnc([C@H]3CCCN(S(C)(=O)=O)C3)cn2)cn1 257276245 NSYZMOBMRYRIQS-ZDUSSCGKSA-N 349.460 1.889 0 40 EDAB CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)C(C)(C)N)CC1 257245483 IPRUMDUEFTZBRH-IBGZPJMESA-N 348.491 1.384 0 40 EDAB COC(=O)[C@]1(C)CN(C(=O)NCc2nccn2CC(C)C)C[C@H]1C 252491757 LSJNKNPOSYPKEG-CXAGYDPISA-N 336.436 1.880 0 40 EDAB Nc1cc(S(=O)(=O)O)ccc1OS(=O)(=O)c1ccccc1 255187675 GBSDCKUULZNBPN-UHFFFAOYSA-N 329.355 1.283 0 40 EDAB Cc1nc(CC(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)cs1 257331063 XRFRSXAPTJTRDG-CHWSQXEVSA-N 345.415 1.297 0 40 EDAB CN(C)[C@H]1CN(Cc2ccc(OCCn3cccn3)cc2)C[C@@H]1O 257231492 GGYMYAMKQPKHRZ-ROUUACIJSA-N 330.432 1.069 0 40 EDAB Cc1cc(C)nc(N2CCO[C@@H](c3ccc(CCC(N)=O)cn3)C2)n1 257326539 WXOWZJGNJHEOBP-MRXNPFEDSA-N 341.415 1.484 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cccnc3)CC2)C[C@@H](O)C1(C)C 257276570 NUIDOQNDRMZZRT-MRXNPFEDSA-N 345.443 1.696 0 40 EDAB COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2O)cc1 257284007 PAWLPGDKAMMKBF-BDXSIMOUSA-N 343.379 1.367 0 40 EDAB O=S(=O)(c1cn[nH]c1)N1CCC(c2ccn3nccc3n2)CC1 257289007 PWPOEDOLLRSRGX-UHFFFAOYSA-N 332.389 1.021 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(Cc2c[nH]nc2C)CC1 257220983 DNBCHFOHUKYUHT-UHFFFAOYSA-N 328.420 1.524 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCC2=CCCCC2)C1 260853357 XFHGBOGTSHGGCN-AWEZNQCLSA-N 329.466 1.121 0 40 EDAB CCc1noc([C@H](C)N2CCN(c3nccn4nc(C)cc34)CC2)n1 274851661 YHSDQBHFQZAZQC-ZDUSSCGKSA-N 341.419 1.866 0 40 EDAB Cc1csc([C@H]2CN(C(=O)c3ccnc4c3nnn4C)CCO2)n1 282364064 ASRBIILNSGRITM-LLVKDONJSA-N 344.400 1.342 0 40 EDAB O=C(CN1CCO[C@H]2COCC[C@H]21)Nc1cc(Cl)ccc1F 1615043117 ACELSJPFNLEAAB-KGLIPLIRSA-N 328.771 1.907 0 40 EDAB CC(C)N(CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)C1CC1 1615572024 LXJCFZRRBZALQZ-AEFFLSMTSA-N 344.459 1.590 0 40 EDAB COCC1(S(=O)(=O)N2CCC(c3ncc(C(=O)O)o3)CC2)CC1 1615572649 ZDUNPERUYNWNEO-UHFFFAOYSA-N 344.389 1.061 0 40 EDAB O=C(c1cnn(C(F)F)c1)N1CC2(CCOCC2)CC[C@H]1CO 1615548993 ONAYAQUIJHONOQ-LBPRGKRZSA-N 329.347 1.672 0 40 EDAB O=C1CCCCN1C[C@@H]1CCC2(CN(C(=O)C3(F)CCC3)C2)OC1 575403531 FZJMNAJXTMUCKX-AWEZNQCLSA-N 338.423 1.899 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 575402887 DMZKXLHEUSEBPC-LBPRGKRZSA-N 344.408 1.571 0 40 EDAB COc1nn(C)cc1C(=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575605643 LYOSQPBLPDHZJR-SNVBAGLBSA-N 337.767 1.166 0 40 EDAB CCCn1ncc(CN2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)c1C 585291698 BFBRQXZZTCVJNP-GUDVDZBRSA-N 329.444 1.923 0 40 EDAB Cn1nccc1/C=C/C(=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585289745 MZZGTESBJQMUEC-LDZGNZEFSA-N 341.411 1.911 0 40 EDAB CC(C)C(=O)N1CCn2cc(CC(=O)NCc3ccco3)nc2[C@H]1C 585096788 AOCQIULYHFDBIH-CYBMUJFWSA-N 344.415 1.894 0 40 EDAB Cc1cccc(CN2CC3(CC[C@@H](CNS(C)(=O)=O)CO3)C2)c1 585105288 SHQGPYPRANXKCW-INIZCTEOSA-N 338.473 1.525 0 40 EDAB O=C(C1CC(F)C1)N1CCCn2nnc(CN3CCCCC3)c2C1 585110551 UGZVHHOJNJRMTO-UHFFFAOYSA-N 335.427 1.744 0 40 EDAB COc1ncccc1CN1CC(F)(F)C[C@]2(CCN(C)C2=O)C1 585093440 WQEKTILXPFNTHW-OAHLLOKOSA-N 325.359 1.780 0 40 EDAB NC(=O)CN1CCC(NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1 71892802 MVVXIVBPLGBMMM-UHFFFAOYSA-N 343.349 1.314 0 40 EDAB CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1COCCO1 72070475 RJNATKUOEKFKGD-LBPRGKRZSA-N 343.177 1.761 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5ccccc5)C[C@H]4C3)ncnc21 1065955840 XIDJMXVSDANCOR-GASCZTMLSA-N 348.410 1.572 0 40 EDAB COc1cccc(-n2nnc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2C)c1 40513829 GHFCJOPPIRFNGI-VXGBXAGGSA-N 330.388 1.834 0 40 EDAB CCOC(=O)[C@@H]1CNC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2 1535646135 YJNUCKAYYCEEQC-LBPRGKRZSA-N 340.420 1.703 0 40 EDAB C[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@H]1N(C)C 76050576 TUEGYMWYBWAMLN-JQWIXIFHSA-N 331.338 1.276 0 40 EDAB CN1C[C@H](C(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1=O 56251290 BKUXDISXMVIZJZ-CYBMUJFWSA-N 334.391 1.468 0 40 EDAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2ccc(CO)o2)C1 548018027 VBUFQISSVKKGAI-MRXNPFEDSA-N 335.429 1.774 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)O 548533711 GRTVTLZYHPEFCL-CMPLNLGQSA-N 331.365 1.292 0 40 EDAB COCC[C@@H](CN[C@H](C)c1ncn(C)n1)NC(=O)OC(C)(C)C 585117557 LHEDRYBHRXUQFL-NEPJUHHUSA-N 327.429 1.396 0 40 EDAB CN(C(=O)NCc1cnc(Br)cn1)[C@@H]1CCSC1 585137446 ZPQWRRIQVHYGOD-SECBINFHSA-N 331.239 1.886 0 40 EDAB COCCn1cc(NC(=O)C[C@@H](O)COCc2ccccc2)cn1 585129186 AQLYSOROJQLWEQ-MRXNPFEDSA-N 333.388 1.436 0 40 EDAB CCOC(=O)CN1C(=O)S/C(=C2/C(=O)Nc3ccccc32)C1=O 5663126 UVBRVCCGUUWYTG-VAWYXSNFSA-N 332.337 1.608 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](Cn3ccnc3)C2)cc1 12219627 KBDWYKCKOZCXSQ-OAHLLOKOSA-N 349.412 1.175 0 40 EDAB Cc1noc(C)c1CCC(=O)NCC1CCN([C@H]2CCOC2)CC1 575608490 SXNGKNWPVVEKGV-INIZCTEOSA-N 335.448 1.841 0 40 EDAB O=S(=O)(CCOc1ccccc1)N1CCn2nc(C3CC3)cc2C1 390830741 NACGCNPPOPCTBD-UHFFFAOYSA-N 347.440 1.985 0 40 EDAB COc1ccc(C)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 6844443 ALSIICOXUAXNJQ-UHFFFAOYSA-N 331.372 1.807 0 40 EDAB CC(=O)Nc1cnn([C@H]2CCN(C(=O)c3cccc(N(C)C)c3)C2)c1 1888869636 ZBEQHPWJWJKHLU-KRWDZBQOSA-N 341.415 1.995 0 40 EDAB Cn1c(N2C[C@@H]3CN(C(=O)c4cn[nH]c4)C[C@H]3C2)nc2ccccc21 1888888334 OOZBMXWJVHAYSF-KBPBESRZSA-N 336.399 1.505 0 40 EDAB O=C([C@H]1CN(c2cc(C(F)(F)F)ncn2)CCO1)N1CCCC1 1889095506 QDOJSMHTWVGLEN-SNVBAGLBSA-N 330.310 1.323 0 40 EDAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)CC3(CCCC3)C2=O)c1 24101767 LEMOOQMYVQXKQW-HNNXBMFYSA-N 345.395 1.948 0 40 EDAB Cn1cnc(C(=O)N2CCC3(CC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 1614934961 RXNXUAXMARGIFB-CQSZACIVSA-N 345.447 1.460 0 40 EDAB COC(=O)N1CCN(CCNC(=O)Nc2cccc(OC)c2)CC1 44227505 BHTWXCCFYULRSH-UHFFFAOYSA-N 336.392 1.201 0 40 EDAB Cc1cc(C)c(C(=O)N2CCC(N3C(=O)COCC3=O)CC2)c(C)c1 575617977 CKJOLSAVLSBOLB-UHFFFAOYSA-N 344.411 1.602 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@H](c1ccco1)c1cccs1 585146814 SQJHBRBZDVZDDA-LLVKDONJSA-N 332.381 1.738 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NC[C@H](c1cccs1)N1CCOCC1 30015037 RGWBAOLJAJUBKO-CQSZACIVSA-N 348.472 1.902 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCn1cccn1 30170262 CQNZZSOGLYTNPU-MRXNPFEDSA-N 346.406 1.983 0 40 EDAB Cc1oc(-c2ccccc2)nc1C(=O)NCCCNS(C)(=O)=O 31216544 MZHPJFJEEUWIIV-UHFFFAOYSA-N 337.401 1.319 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)N[C@H](C)Cn2cccn2)C1=O 31398233 IECYUWODIYNDLX-OLZOCXBDSA-N 328.372 1.202 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccc3c(c2)CCC(=O)N3)C[C@@H](C)O1 40489268 VKBLZGGMKZKBEP-BETUJISGSA-N 331.416 1.410 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 40520951 NHEOZNIGTGMEMZ-UHFFFAOYSA-N 346.836 1.213 0 40 EDAB CCN1C[C@H](C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1=O 40534555 UBLBIBKBTRVQOK-SECBINFHSA-N 331.294 1.830 0 40 EDAB Cc1c(C(=O)NCC(C)(C)N2CCOCC2)oc2c1C(=O)CCC2 40544150 LCPYUHQZUMHTMC-UHFFFAOYSA-N 334.416 1.948 0 40 EDAB CC[C@](C)(CNC(=O)c1ccc(-n2cncn2)cc1)N1CCOCC1 31928554 WWHCAWCIZWXMIA-GOSISDBHSA-N 343.431 1.498 0 40 EDAB O=C(NCCN1CCCCCC1=O)c1ccc(N2CCOCC2)nc1 32309514 ZJUWYHUXZKZIHC-UHFFFAOYSA-N 346.431 1.051 0 40 EDAB C[C@H](Sc1nnc(C2CCCCC2)n1N)C(=O)N1CCOCC1 41098663 NERVPBHMEMXKGM-NSHDSACASA-N 339.465 1.379 0 40 EDAB CC(C)(C)OC(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 21624023 OOGJYSXCTVLZHJ-SECBINFHSA-N 348.446 1.481 0 40 EDAB COc1ccc(-c2noc(CCC(=O)NC[C@@H]3CCOC3)n2)cc1 41369786 BFJFLHPQQAEENB-LBPRGKRZSA-N 331.372 1.831 0 40 EDAB COc1ccccc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 41618532 NTDRZVJHYJBPCD-LBPRGKRZSA-N 326.418 1.097 0 40 EDAB COc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc(OC)c1C 22546707 OWIKXGWKMVSSMW-OAHLLOKOSA-N 327.402 1.319 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@](C)(CC(C)C)C(N)=O 72277397 KYYKIEMUNCZHOT-MRXNPFEDSA-N 347.444 1.928 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2noc(C)n2)c(C)c1 97229144 WXSDNNCGSVRISU-VIFPVBQESA-N 339.373 1.513 0 40 EDAB CN(CC(=O)NCC(F)(F)F)C(=O)C[C@H]1OC(=O)c2ccccc21 61631800 JFORCYXKMHXQMV-LLVKDONJSA-N 344.289 1.425 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)Nc1nnc(-c2ccccn2)s1 47791149 QIYJKUSCHLSZDB-NSHDSACASA-N 348.432 1.442 0 40 EDAB Cc1nc(C(=O)NC[C@@H](C)N2CCCC2)nn1-c1ccc(F)cc1 42505875 VJLJUZANRHPOBW-GFCCVEGCSA-N 331.395 1.929 0 40 EDAB CCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 6636405 CSNKRHHHZCYBPU-RYUDHWBXSA-N 328.434 1.667 0 40 EDAB Oc1ccccc1N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 84506010 PYAWSBHCNVILSE-HOTGVXAUSA-N 336.432 1.071 0 40 EDAB COCC(=O)N1CCN(C(=O)NCc2nc3ccccc3s2)CC1 42815538 HGDYAJPGNHKTPU-UHFFFAOYSA-N 348.428 1.297 0 40 EDAB CC(C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 7804049 OZPARHOTACQTCM-CYBMUJFWSA-N 340.445 1.482 0 40 EDAB COC(=O)C1=NN(C(=O)c2ccc(N(C)C)cc2)[C@@](O)(C(C)(C)C)C1 1275489 WSYDQHPIKXNWTC-SFHVURJKSA-N 347.415 1.862 0 40 EDAB Cc1nn(C)c2ncc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc12 43271230 BKLYVSZDVQFIKM-CQSZACIVSA-N 340.387 1.905 0 40 EDAB Cc1cnn(C[C@@H]2CN(C[C@@H](O)COc3ccc(F)cc3)CCO2)c1 106665780 XGWKOOHHVCSTNT-AEFFLSMTSA-N 349.406 1.471 0 40 EDAB COc1cc(Br)c(OC)c(C(=O)N2CCOCC2)c1 25155685 AOXZXNNCSRRQKW-UHFFFAOYSA-N 330.178 1.939 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCC2(c3cccc(F)c3)CCOCC2)C1 56801482 SFWLUZOWXBVFQF-CYBMUJFWSA-N 349.406 1.391 0 40 EDAB C[C@@H]1CN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)CCO1 56822829 QJYCSTIEJMMBDN-OAHLLOKOSA-N 341.411 1.827 0 40 EDAB Cc1ccccc1OCCNC(=O)N1CCN(c2ncccn2)CC1 57210998 FUUQLBRBZPDFLM-UHFFFAOYSA-N 341.415 1.696 0 40 EDAB Cc1cccc(N2CCN(CC(=O)NC(=O)NC3CCCC3)CC2)c1 35335087 NKFZWDYHMBCHAN-UHFFFAOYSA-N 344.459 1.885 0 40 EDAB CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccc(C)o1 44251124 UGKWVNYBUBPOCI-OAHLLOKOSA-N 333.388 1.855 0 40 EDAB C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1N)c1ccco1 12636727 VNJFTOHFPJGIJR-SNVBAGLBSA-N 344.396 1.673 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)NCCCOCc2ccco2)C1 48229759 DNMGSAUSLUOUOP-CQSZACIVSA-N 347.419 1.904 0 40 EDAB O=C(Cn1ccccc1=O)Nc1nnc(Cc2ccccc2)s1 44517102 XUSHMOFJHOZYDG-UHFFFAOYSA-N 326.381 1.929 0 40 EDAB COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)nc2)cn1 48287410 ZKLNNEGXZZKBDR-UHFFFAOYSA-N 343.387 1.644 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)CCCc1nc2ccccc2o1 48232031 VJXBITGJGQTTFY-CQSZACIVSA-N 331.416 1.987 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2cccnc2)CC1 20522866 VYHJBDORVVQIOY-UHFFFAOYSA-N 331.441 1.729 0 40 EDAB COc1cc(Cl)ccc1C(=O)NCCC(=O)N1CCOCC1 58289307 VZBVYCZBAHUYFR-UHFFFAOYSA-N 326.780 1.327 0 40 EDAB C[C@@H](CNC(=O)N[C@@H]1CCCCNC1=O)N1CCc2ccccc21 44968076 FPDZBHUPIMZEBO-DZGCQCFKSA-N 330.432 1.406 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 52854900 IODMOTDQRCSRQP-UHFFFAOYSA-N 342.486 1.734 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)O[C@H]1CCN2Cc3ccccc3N=C12 2133961 ZCDCWVWJHPGSKF-OCCSQVGLSA-N 349.412 1.218 0 40 EDAB biogenic COc1ccc(COC[C@H](O)CNC(=O)c2cnc(C)cn2)cc1 58309350 ZLOYDAYXGCTINI-CQSZACIVSA-N 331.372 1.101 0 40 EDAB CCc1nc(CN(C)C(=O)c2ccc(-n3cnnn3)cc2)cs1 58393744 WOKNTQIQOBJEAR-UHFFFAOYSA-N 328.401 1.953 0 40 EDAB COc1cccc([C@@H](NC(=O)c2ccc(=O)[nH]c2)c2nccn2C)c1 48324963 RGNFZJKBOXRYIT-MRXNPFEDSA-N 338.367 1.636 0 40 EDAB CN1N=C(C(=O)NCCc2ccccc2Br)CCC1=O 58406378 QPVZZDZWMBFBRC-UHFFFAOYSA-N 338.205 1.716 0 40 EDAB CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC(O)CC2)nc1 58412879 RDLXBHPOINMXBT-GFCCVEGCSA-N 327.450 1.510 0 40 EDAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)C1CC1 48345412 CYONQTIGYRHGNI-AWEZNQCLSA-N 344.459 1.600 0 40 EDAB CSCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)C2 108526802 ZBPHMKIYMKDVTO-UHFFFAOYSA-N 333.457 1.786 0 40 EDAB O=C(NCCCn1cncn1)N1CCO[C@@H](c2ccc(F)cc2)C1 45647055 BJOKACGUNBHDJV-OAHLLOKOSA-N 333.367 1.590 0 40 EDAB CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2OC)n2nnnc2N1 45895982 YHNVFMGMMGKAFK-ZDUSSCGKSA-N 345.359 1.542 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@H](C)n3ccnc3)CC2)cc1F 45875344 HAHXWIHUZXJLHG-AWEZNQCLSA-N 346.406 1.936 0 40 EDAB CCN(CC)C(=O)CN1CCCN(C(=O)c2ccccc2OC)CC1 46052274 BIXPTIPJOBSKHF-UHFFFAOYSA-N 347.459 1.712 0 40 EDAB CC(C)N1C[C@@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1=O 46355435 RVKAPPRWXGDWSM-HOCLYGCPSA-N 334.391 1.983 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2=COCCO2)c1C 2655396 ABVWMYPTZNLGIL-UHFFFAOYSA-N 337.328 1.422 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=S)N[C@]1(O)C(F)(F)F 3901551 MOODWPVZKBDFAL-OPQQBVKSSA-N 348.346 1.636 0 40 EDAB Cc1nc2c(c(N3CCC(CN4CCCC4=O)CC3)n1)CCNCC2 63848891 QRQMSTRTCWQIQY-UHFFFAOYSA-N 343.475 1.312 0 40 EDAB NC(=O)CCn1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1 72287353 PYMXSHDHGHCTFV-UHFFFAOYSA-N 342.334 1.336 0 40 EDAB CCN(C(=O)NCCc1cccc(F)c1F)[C@H](C)CS(C)(=O)=O 72281531 ZNMFDPOMNLPMAC-LLVKDONJSA-N 348.415 1.972 0 40 EDAB Cc1ccc(Cn2ccc3nc(N4CCN(C)CC4)ncc3c2=O)cc1 39404010 HXJPXFCRJYGCQV-UHFFFAOYSA-N 349.438 1.900 0 40 EDAB CCCN(CCc1ccccn1)C(=O)c1c[nH]c2c(cnn2C)c1=O 96004533 CDMQXJYNGWMYMO-UHFFFAOYSA-N 339.399 1.752 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005045 GYTNXMJWDQTFON-ZDUSSCGKSA-N 338.495 1.053 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(c3ncnc4c3cnn4C)C2)n1 72276472 OYKRLRCZXCAZSV-ZDUSSCGKSA-N 326.408 1.488 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 93531576 CCMSPKYGZYEDFL-NSHDSACASA-N 340.342 1.968 0 40 EDAB COc1ccccc1CC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 65464785 DNAIYZHXQVCQOO-HNNXBMFYSA-N 344.386 1.837 0 40 EDAB CC1CCN(CCNS(=O)(=O)c2cccc(C(=O)O)c2)CC1 65443072 BJCQXJSMADYMLD-UHFFFAOYSA-N 326.418 1.395 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@@H](C)Cn3ccnc3)CC2)no1 65447703 BGNCBYSJQJJBIG-ZDUSSCGKSA-N 332.408 1.095 0 40 EDAB CCO[C@@H]1CCCN(C(=O)NCc2cccnc2OCCOC)C1 65592352 QOTAVCQLTOWXPR-OAHLLOKOSA-N 337.420 1.817 0 40 EDAB O=C(CN(C1CC1)S(=O)(=O)c1ccccc1Cl)NC1CC1 65563468 BCSNXCIZBGIUIL-UHFFFAOYSA-N 328.821 1.772 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCOc2ccc(Cl)cc2)C[C@@H](C)O1 14197824 DEQZACPTSPSXPL-TXEJJXNPSA-N 348.852 1.662 0 40 EDAB COc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccco2)c1 6429295 GWBZJCIWMISUPK-UHFFFAOYSA-N 345.355 1.115 0 40 EDAB O=C(NCCc1ccn(-c2ccccc2)n1)C(=O)Nc1cccnc1 65623454 VZORBJWMSMSTPY-UHFFFAOYSA-N 335.367 1.565 0 40 EDAB COc1cccc([C@H](CNC(=O)C2=NNC(=O)CC2)N2CCCC2)c1 65608296 CYSZVDSVXGUAPL-INIZCTEOSA-N 344.415 1.214 0 40 EDAB CCN1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 84789116 HVTUDJBZJWUDFX-CYBMUJFWSA-N 340.445 1.611 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 9319049 LNTSNYUUMONZGJ-UHFFFAOYSA-N 328.372 1.991 0 40 EDAB OCCn1ncc2c(NC[C@H]3COc4ccccc4O3)ncnc21 97199655 MOXCTSGMEFSVOY-NSHDSACASA-N 327.344 1.071 0 40 EDAB O=C(Nc1ccccc1F)C(=O)N1CCN(Cc2ccccn2)CC1 119922431 JPOSMTNQFKAXKX-UHFFFAOYSA-N 342.374 1.504 0 40 EDAB COc1ccc2c(c1)c1ncnc(N3CCC(C(N)=O)CC3)c1n2C 5516381 YIHIEBRBPIIYDU-UHFFFAOYSA-N 339.399 1.832 0 40 EDAB CCOC(=O)c1cc(S(C)(=O)=O)c2n(C)c3ccccc3n2c1=O 14988393 XRKZFFVRCHSPDG-UHFFFAOYSA-N 348.380 1.371 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 9481416 KRVUSSZIEUEOAQ-UHFFFAOYSA-N 347.419 1.572 0 40 EDAB CC[C@@H](C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 7647215 OAJDIZXAFGHWRF-ZIAGYGMSSA-N 339.413 1.027 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(Cc2cccc3c2OCCO3)C1 68270819 HPQKIJNFFQPGNC-CYBMUJFWSA-N 340.445 1.219 0 40 EDAB C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)C(=O)N1CCOCC1 68738579 PYAPPFDVUNKYKT-OAHLLOKOSA-N 346.427 1.098 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC(c2nc3ccccc3o2)CC1 71795612 JDVCFCVTGUTELT-ZDUSSCGKSA-N 348.424 1.969 0 40 EDAB COc1ccc(CCC(=O)N2CCN(Cc3noc(C)n3)CC2)cc1 69023033 AABWASCHZSUSSN-UHFFFAOYSA-N 344.415 1.664 0 40 EDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@](C)(O)c1ccco1 81836322 XWPNOSOGCMNSRH-LPHOPBHVSA-N 342.395 1.577 0 40 EDAB CS(=O)(=O)CCN1CCCC[C@H]1C(=O)Nc1cc(F)cc(F)c1 69485747 WPHQSKOVANVJEW-AWEZNQCLSA-N 346.399 1.802 0 40 EDAB Cc1ccc(OCCCNC(=O)CNC(=O)NCc2ccco2)cc1 69567295 AFKNQDODHQSSOS-UHFFFAOYSA-N 345.399 1.973 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NC(=O)[C@@H](C)N1CCc2ccccc2C1 69661608 WFPLQVZKFYEGMI-LLVKDONJSA-N 327.388 1.202 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCC(=O)Nc1ccc(Cl)cn1)CC2 69621180 NONGFURGSFRVTO-NSHDSACASA-N 334.811 1.432 0 40 EDAB CC1CCN(C(=O)CN2CCNC(=O)C[C@@H]2c2ccccc2)CC1 71822579 ONETXXYXXVDRDX-QGZVFWFLSA-N 329.444 1.808 0 40 EDAB COc1ccc(NC(=O)NC2CCN(C)CC2)cc1-n1nnnc1C 71855059 CJJJZACWELZVEQ-UHFFFAOYSA-N 345.407 1.195 0 40 EDAB O=C(NC1CCN(C(=O)C2CC2)CC1)N[C@H]1CCN(C2CCCC2)C1 71882540 GJMQGYMXWAEANB-INIZCTEOSA-N 348.491 1.704 0 40 EDAB CCCc1noc([C@@H](C)N2CCN(Cc3cnn(CCO)c3)CC2)n1 69950489 BSUIVYAUVGSCIC-CQSZACIVSA-N 348.451 1.090 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)CCc2c(C)noc2Cl)CC1 69927135 JBVKPEHGINVKIV-GFCCVEGCSA-N 329.828 1.484 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1 69951185 GRCMGNAISZINTL-HNNXBMFYSA-N 348.422 1.867 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C[C@H](O)CN2C[C@H](C)O[C@H](C)C2)c1 69950465 SMARPJKKGQWYQN-XWTMOSNGSA-N 336.480 1.126 0 40 EDAB CCN(CC)C(=O)CSc1nnc(S[C@H](C)C(N)=O)s1 9608111 NOAWMLMRZQTSAQ-SSDOTTSWSA-N 334.492 1.465 0 40 EDAB COc1cc(CN(C)CC(=O)N2CCC(O)CC2)ccc1SC 72314195 RFHYTSHUJQRKIW-UHFFFAOYSA-N 338.473 1.832 0 40 EDAB Cc1nc(C)c2c(C)c(C(=O)NC[C@@](C)(O)CN(C)C)sc2n1 84066883 QAJCGOJANSBYIV-MRXNPFEDSA-N 336.461 1.659 0 40 EDAB CC(=O)N(C)c1ccc(S(=O)(=O)N2C[C@@H](CO)CC[C@H]2C)cc1 95454439 YHRDWOOXKIJSCA-OCCSQVGLSA-N 340.445 1.451 0 40 EDAB O=C(CCN1C(=O)CCc2ccccc21)N[C@H]1CCc2nccn2C1 72291315 XGDUROZHVGUWEE-HNNXBMFYSA-N 338.411 1.684 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3cn4c(C)cccc4n3)CCO2)n1 72253507 IZYATYDJJMRBLA-KRWDZBQOSA-N 340.431 1.752 0 40 EDAB O=C1NCCCC[C@H]1N1CCN(C(=O)COc2ccc(F)cc2)CC1 72297827 CRRYJOLRKLYGIS-MRXNPFEDSA-N 349.406 1.017 0 40 EDAB COC(=O)c1cccc(C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)c1 72275314 PXFMDGAXJVZMEV-UHFFFAOYSA-N 339.307 1.255 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)c1C 72286464 URILNVZEEBUWJH-CQSZACIVSA-N 344.390 1.925 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 95408536 NYPISPWYUUMJDP-JTQLQIEISA-N 337.367 1.866 0 40 EDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)CNC(=O)NC1CC1 88282312 AEEGRRIFLRRVJK-HNNXBMFYSA-N 330.432 1.705 0 40 EDAB CC(=O)c1cccc(NC(=O)CN[C@@H](CN2CCOCC2)C(C)C)c1 95941478 PIPOOAQVIXUBEQ-SFHVURJKSA-N 347.459 1.774 0 40 EDAB NC(=O)[C@H]1CCCN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1 95989080 BNQVZUUOLQJONU-LLVKDONJSA-N 337.742 1.150 0 40 EDAB CC[C@H](CO)NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 74567582 IIGBXEYYWGBVKC-YPMHNXCESA-N 339.823 1.906 0 40 EDAB CCc1n[nH]c([C@@H]2CN([C@@H]3CCN(c4ccccc4)C3=O)CCO2)n1 89289814 FAACHRGDPPAHMX-CABCVRRESA-N 341.415 1.546 0 40 EDAB CN1C(=O)C[C@H](NC(=O)c2ncncc2Cl)[C@H]1c1ccc(F)cc1 89374749 YADQTPMFOXHUSK-SWLSCSKDSA-N 348.765 1.971 0 40 EDAB C[C@@H](C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1)n1cccn1 75129223 BIGRBOUTNSCEQR-RDJZCZTQSA-N 328.416 1.322 0 40 EDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1CC(=O)N1CCOCC1 75604990 PATJWTGIBVRZEK-GFCCVEGCSA-N 326.828 1.378 0 40 EDAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)c1 408672114 ZMPSECGMNSDFCQ-HLOHAYJMSA-N 343.379 1.983 0 40 EDAB O=C1CCc2ccc(OCc3noc(C(=O)NCC4CC4)n3)cc2N1 32070148 RTSJBRXCBFHRCB-UHFFFAOYSA-N 342.355 1.673 0 40 EDAB O=S1(=O)CC[C@@H](NC[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 37470589 FZHKONYHLVEDDV-INMHGKMJSA-N 339.457 1.218 0 40 EDAB O=C1C[C@H](C(=O)NC[C@@H]2CCCO2)[C@H](c2ccc3c(c2)OCCO3)O1 66088341 ZQTKUYRERVQWEM-DCGLDWPTSA-N 347.367 1.357 0 40 EDAB CCCS(=O)(=O)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 72369453 JYXQRCLPUKGCAB-QGZVFWFLSA-N 338.473 1.221 0 40 EDAB CC(C)N(C[C@@H]1CCN(C(=O)CN)C1)C(=O)OCc1ccccc1 79412468 GOBBSBMYSILXSX-MRXNPFEDSA-N 333.432 1.841 0 40 EDAB COc1ccc(S(=O)(=O)NCCNc2ccc3cc[nH]c3n2)cc1 72439328 HHSWAQIIGNATFJ-UHFFFAOYSA-N 346.412 1.962 0 40 EDAB COc1cccc(CNS(=O)(=O)c2cnn(-c3ccccn3)c2)c1 72238938 XLYSQVUPGCQGQC-UHFFFAOYSA-N 344.396 1.754 0 40 EDAB CNc1nc(C)cc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)n1 225559139 YOVXTLCWJOTQSV-CYBMUJFWSA-N 325.372 1.362 0 40 EDAB O=C(CCc1ccsc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 69738225 GDJBEPYNJKSGMI-KGLIPLIRSA-N 342.486 1.058 0 40 EDAB Cc1cc(C)c(C)c(OCCC(=O)N2CCCN(CC(N)=O)CC2)c1 69769846 LNJOBMCIPMSWRT-UHFFFAOYSA-N 347.459 1.400 0 40 EDAB CN(C(=O)Cn1nnc2ccccc21)[C@@H]1CCN(c2ccccc2)C1=O 69770854 LLAZQYXRVXPQBW-QGZVFWFLSA-N 349.394 1.695 0 40 EDAB COC[C@@]1(NC(=O)c2cc(=O)c(OC)co2)COc2ccccc2C1 529956637 FFZYEPKGDNMEBT-GOSISDBHSA-N 345.351 1.399 0 40 EDAB O=C(N[C@]12CCC[C@H]1NCC2)c1nn2c(c1Br)CCC2 1580757235 OJJOGVOJCQTINC-YGRLFVJLSA-N 339.237 1.606 0 40 EDAB c1ccc(-n2ncc(CN[C@H]3CCCN(c4cccnn4)C3)n2)cc1 69738342 LKRATBBKDRTGCJ-HNNXBMFYSA-N 335.415 1.816 0 40 EDAB CCN(CCCOc1ccc(S(C)(=O)=O)cc1)CC(=O)N(C)C 63381079 LMOHNSFCPRZZSC-UHFFFAOYSA-N 342.461 1.269 0 40 EDAB Cc1cc(CNC(=O)c2ccc(CNS(C)(=O)=O)o2)c(C)o1 84764960 NJGOHLFRYZJDDL-UHFFFAOYSA-N 326.374 1.469 0 40 EDAB O=C([C@H]1CCC2(CCN(S(=O)(=O)C3CC3)CC2)O1)N1CCCC1 96061269 QBDRHEYQOBZNGR-CQSZACIVSA-N 342.461 1.115 0 40 EDAB O=C([C@H]1C[C@]2(CCCN(Cc3ccccc3)C2)CO1)N1CCOCC1 96224854 FWTFEXKGWPOBRQ-QUCCMNQESA-N 344.455 1.917 0 40 EDAB O=C1N(Cc2cccnc2)CC[C@]12CCCN(S(=O)(=O)C1CC1)C2 96224343 CFQDCDWQLCGQNK-KRWDZBQOSA-N 349.456 1.388 0 40 EDAB CC(=O)N1CCC2(CCCN(C(=O)[C@H]3CCCN3C(C)=O)C2)CC1 96268226 YJIQYYDMGRFIRJ-MRXNPFEDSA-N 335.448 1.248 0 40 EDAB Cc1nnc(N2C[C@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)s1 97953416 JRMBNJIEZKYCAO-JHJVBQTASA-N 338.433 1.384 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccnc1)C2 96039546 VUDCCYSVOXEDQX-HKUYNNGSSA-N 347.459 1.671 0 40 EDAB COCCNC(=O)CNC(=O)[C@@H](C)c1ccc(Br)s1 96430503 LAZBQBZDLPHRIX-QMMMGPOBSA-N 349.250 1.493 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)CNC(=O)C2CC2)C1 96409532 SMQPZMLJIVWCAM-HNNXBMFYSA-N 333.407 1.745 0 40 EDAB OCCN(CCO)Cc1cc(Br)cc2cccnc12 96470317 PBNWPVAXFZTHPZ-UHFFFAOYSA-N 325.206 1.784 0 40 EDAB CN1C(=O)[C@@H](c2cccnc2)CC12CCN(c1ncc(F)cn1)CC2 96087442 FZCWTZONIDNOSQ-OAHLLOKOSA-N 341.390 1.996 0 40 EDAB CCOc1ccccc1OCCN1CCC[C@@](O)(c2cnn[nH]2)C1 583617941 MFBQWKMNXDHICX-KRWDZBQOSA-N 332.404 1.566 0 40 EDAB Cc1nn(C)c2nccc(N3CCC[C@H](N4CCCS4(=O)=O)C3)c12 333860822 PUWWVPWKUMMAON-ZDUSSCGKSA-N 349.460 1.281 0 40 EDAB CNC(=O)[C@@]12CCC3(CCN(CC4CC4)CC3)[C@@H]1CN(C(C)=O)C2 96036274 VEDRXRZEGYDRCR-QFBILLFUSA-N 333.476 1.483 0 40 EDAB O=C(Cn1cnc2c1CCCC2)N1CCN(c2cncc(F)c2)CC1 583762613 ZDKNQFZLOADLDR-UHFFFAOYSA-N 343.406 1.645 0 40 EDAB Cn1cc(CN2CCC[C@@]3(COCCN(c4ncccn4)C3)C2)cn1 96049513 MMQOMOBAVHSJRG-GOSISDBHSA-N 342.447 1.329 0 40 EDAB Cc1noc([C@H]2CN(C(=O)Cn3cccn3)C[C@@H]2c2ccccc2)n1 245174460 YNFUEBHRZWFAIO-CVEARBPZSA-N 337.383 1.984 0 40 EDAB CN(C[C@@H](O)Cn1cccn1)[C@H]1CCCN(c2ccccc2)C1=O 248059647 YUWHDRPPDSYFGO-SJORKVTESA-N 328.416 1.371 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 245344124 XRFDPRUNMLDPFI-PXTQAZKISA-N 336.461 1.668 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc(N)nc(Br)c1 585121127 GMYKSPFXLKLTGI-SECBINFHSA-N 341.209 1.119 0 40 EDAB COC(=O)C1(CNC(=O)c2cc(N)nc(Br)c2)CC1 585132318 UFVLAHUQLAOZIV-UHFFFAOYSA-N 328.166 1.109 0 40 EDAB CN(Cc1ccc(I)s1)[C@@H]1COC[C@H]1O 585116676 FDQKSIRCNWZQMT-RKDXNWHRSA-N 339.198 1.544 0 40 EDAB CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2nc(C(=O)O)co2)C1 585134009 AMFJFPAXWKZURM-GHMZBOCLSA-N 337.376 1.274 0 40 EDAB Cc1ccnc([C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1 257207493 BHZWSFALGMUDOZ-OAHLLOKOSA-N 329.404 1.278 0 40 EDAB CNC(=O)c1cnc([C@H]2CCCCN2C(=O)c2cnccn2)s1 257270461 MUHZYFDUBXUTSV-LLVKDONJSA-N 331.401 1.660 0 40 EDAB CCn1nccc1-c1cc(C[C@@H]2CCCN(S(C)(=O)=O)C2)ncn1 257241244 HXHIFICCJWIYNR-ZDUSSCGKSA-N 349.460 1.574 0 40 EDAB CN(C)c1ccc(N2CCC(C)(C(=O)Nc3ncc[nH]3)CC2)nn1 257211658 BZTRLISYXGSFRT-UHFFFAOYSA-N 329.408 1.511 0 40 EDAB Cc1nc(-c2ccnn2C)cc(C2CCN(S(C)(=O)=O)CC2)n1 257254375 KCUAFMLKNGCZIP-UHFFFAOYSA-N 335.433 1.325 0 40 EDAB Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)C4CCNCC4)C3)ccc12 257287779 PRMRIOQWELGKCL-GFCCVEGCSA-N 328.420 1.246 0 40 EDAB COc1cc(CCC(=O)N2CCNC[C@@H]2c2ccccc2OC)on1 257314764 UYJJHVCBKCVYHE-OAHLLOKOSA-N 345.399 1.798 0 40 EDAB CO[C@H]1CN(C(=O)c2ccc(OCCN)cc2)CC[C@@]12CCCO2 257321581 WCFXLKAXTXOYQA-WMZOPIPTSA-N 334.416 1.434 0 40 EDAB CC(=O)N1CCN(C(=O)CCN2CCOCC2)C[C@H]1c1ccccc1 257304090 SKACMGOMICELPN-SFHVURJKSA-N 345.443 1.141 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(Cc2[nH]cnc2C)CC1 257216517 CUVPSFHTNNJRHZ-UHFFFAOYSA-N 328.420 1.524 0 40 EDAB CN(C)c1cc([C@H]2CCCN2C(=O)CCN2CCOCC2)ccn1 257227104 FNQNOBPNVJOOKZ-MRXNPFEDSA-N 332.448 1.533 0 40 EDAB Cc1nn(C)c(C)c1CN1CCO[C@@H](c2ncc(CN(C)C)[nH]2)C1 257320476 VWZCZLFWFAPAFR-MRXNPFEDSA-N 332.452 1.395 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)NCCn1ccc2ccoc2c1=O 253400080 KLTKOMFVMGEECG-UHFFFAOYSA-N 340.335 1.682 0 40 EDAB COc1cc(C)cc(C)c1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1 530142544 GAOAKFXWFGPLSR-TXEJJXNPSA-N 327.402 1.796 0 40 EDAB COc1cc(C(=O)N2CCN(c3nccn(C)c3=O)CC2)ccc1C 266462565 YWXGVUIQKACMDL-UHFFFAOYSA-N 342.399 1.060 0 40 EDAB CN1C(=O)C[C@H](C(=O)N2CC(CC(F)F)C2)[C@H]1c1nccn1C 1615592553 YNRAIVUJVAHLFD-GWCFXTLKSA-N 326.347 1.053 0 40 EDAB CS(=O)(=O)C1(C(=O)NC[C@@H]2OCCc3sc(F)cc32)CCC1 1615578532 YEAJAPRNELGHDZ-JTQLQIEISA-N 347.433 1.585 0 40 EDAB CCn1ncnc1-c1ccc(C(=O)N[C@H]2C[C@H](N)C23CCC3)cc1 1615554589 MFUHYDJAXOPZFS-GJZGRUSLSA-N 325.416 1.965 0 40 EDAB COC(=O)[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)Cc2ccccc21 599504797 QRSTXPZWIJTLPA-WFASDCNBSA-N 338.429 1.488 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ncc(Cl)cc1O 1616032651 SJKNTUSAIDYYAM-SECBINFHSA-N 333.797 1.193 0 40 EDAB O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)c1ccc(Cl)s1 575414635 PZXUBQILAVPQHW-SECBINFHSA-N 348.819 1.848 0 40 EDAB CCCCNC[C@]1(O)CN(C(=O)CCc2ccccc2)CC[C@H]1O 585283544 AJEGUBBJKNTMTI-MJGOQNOKSA-N 334.460 1.333 0 40 EDAB Cc1ccc(CN2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)cc1 585111828 HKNFPGQNFUXSDE-INIZCTEOSA-N 334.445 1.298 0 40 EDAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@@H]2C1 585106069 IXPURHDGDRMORQ-ARFHVFGLSA-N 343.475 1.540 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(C(=O)c3ccnc(F)c3)C[C@H]2O1)N1CCCC1 585109373 MERPOEKXUKNDSM-SOUVJXGZSA-N 347.390 1.463 0 40 EDAB COC(=O)c1cc(OC)ccc1NC(=O)[C@H]1CCCN(C(N)=O)C1 69843855 ZGIJLPLQNIZBRZ-JTQLQIEISA-N 335.360 1.211 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1 69845840 MBZQKKSZKLHMGB-GFCCVEGCSA-N 331.434 1.146 0 40 EDAB CSc1ncccc1C(=O)NCC1(OCCO)CCSCC1 828765379 LDFOYZLBDKUVPD-UHFFFAOYSA-N 342.486 1.808 0 40 EDAB Cc1nnc(CN2CCN([C@H](C)c3nc(C4CC4)no3)CC2)n1C 69453195 BAEXSNVJZUBHMJ-LLVKDONJSA-N 331.424 1.263 0 40 EDAB CCC(CC)(NS(=O)(=O)c1cccc(Br)c1)C(N)=O 58158414 IQSYQVYIUARNQZ-UHFFFAOYSA-N 349.250 1.772 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN(Cc2nnc(-c3cccs3)o2)C1 89800097 SDSCCECXGDRZPN-JTQLQIEISA-N 342.446 1.299 0 40 EDAB CC[C@@H](C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1 98010429 XRYWLRPLQHGCNF-HZPDHXFCSA-N 326.400 1.835 0 40 EDAB O=C1[C@@H]2CN(c3ccnc(C4CC4)n3)C[C@@H]2C(=O)N1Cc1ccccc1 664186808 WWXFLVSHCPBLPD-IYBDPMFKSA-N 348.406 1.975 0 40 EDAB Cc1ncc2c(n1)CC[C@H](NC(=O)c1cc(-c3cccnc3)n(C)n1)C2 1615570042 HUKXHEDJLXIAJZ-HNNXBMFYSA-N 348.410 1.868 0 40 EDAB CN1C(=O)N(C)[C@]2(c3ccccc3)NNC(N)=N[C@@]12c1ccccc1 5792971 QJKCPCXPWISPEK-ROUUACIJSA-N 336.399 1.112 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(c2ccccc2O)=NO1 13123889 CVRVTUHMAJORTJ-QGZVFWFLSA-N 340.335 1.930 0 40 EDAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nnc(=O)[nH]c1O 13831868 NCVQSAHEYFICTM-AXFHLTTASA-N 341.433 1.967 0 40 EDAB COCCC(=O)N1CCC(c2nc(O)cc([C@H]3CCCNC3)n2)CC1 19593110 RMOVZMBFPGBPKJ-AWEZNQCLSA-N 348.447 1.392 0 40 EDAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1noc2c1CCCC2 575615257 BXLHUXJDWZMFLQ-CQSZACIVSA-N 333.432 1.784 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)CCC(=O)c1cccs1 5078672 FENHPOIDYUZVBO-UHFFFAOYSA-N 326.374 1.488 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCCCN([C@H](C)c3nnnn3C)C2)cc1 1034501431 VWUTZYTZRMDEFQ-ZBFHGGJFSA-N 342.447 1.864 0 40 EDAB Cc1cc(N2CCN(C(=O)c3nccnc3N)CC2)nc(C(C)C)n1 10340290 FDBOXEHDQTWGCQ-UHFFFAOYSA-N 341.419 1.243 0 40 EDAB CN([C@@H]1CCN(c2ncccn2)C1)S(=O)(=O)Cc1ccccc1 1888869747 DBEHBMUXPLZOAN-OAHLLOKOSA-N 332.429 1.517 0 40 EDAB c1cnn(-c2cc(N3CCN(c4ncnc5[nH]ccc45)CC3)ncn2)c1 1889205852 YLFXRNSTDNRZOA-UHFFFAOYSA-N 347.386 1.260 0 40 EDAB CC(C)(C)NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 16046701 NMGDRHXICZNWFM-AWEZNQCLSA-N 342.399 1.546 0 40 EDAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(=O)[nH]c1 22687225 TYMXIYZIZKWYNE-MRXNPFEDSA-N 327.384 1.006 0 40 EDAB COc1ccc(CN2CCO[C@]3(COCC(=O)N(C)C3)C2)c(C)c1 2037984325 XNGSHJCNLPLHKD-SFHVURJKSA-N 334.416 1.063 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCO[C@]2(CCCCN(C(C)C)C2=O)C1 2037984506 CUDYZNRQRICEOX-GOSISDBHSA-N 348.447 1.361 0 40 EDAB CC(C)N1C[C@@]2(CCN(C(=O)CCc3cccnc3)C2)COCC1=O 2037985307 FFIZHZJLQHMGCS-IBGZPJMESA-N 345.443 1.500 0 40 EDAB Cc1cc(I)ccc1NC(=O)[C@H]1CCC(=O)N1 72508239 FIWLPZIPNVEING-SNVBAGLBSA-N 344.152 1.817 0 40 EDAB CC(C)N(C)CC(=O)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 1565551671 JLKPPAFHORJZHD-ROUUACIJSA-N 346.475 1.224 0 40 EDAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCCC3)cnc21 4479000 SHEWRARMBNWORO-UHFFFAOYSA-N 337.383 1.513 0 40 EDAB CCOc1ccc(C(=O)Nc2nnc(SCC(N)=O)s2)cc1 7387407 CAFMXQIFKJTAEE-UHFFFAOYSA-N 338.414 1.767 0 40 EDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)[C@H]2CCOC2)cn1 2055718120 UKWOPAFXXLZZAE-YESZJQIVSA-N 333.432 1.395 0 40 EDAB Cc1cccnc1CN[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055732590 RDBHHVVWLKHHEZ-OAHLLOKOSA-N 342.443 1.857 0 40 EDAB CC(C)CN(C)C(=O)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055717976 QCSUERPMLKTMFC-ZDUSSCGKSA-N 332.448 1.842 0 40 EDAB Cc1cc(OC2CN(C(=O)c3ccccc3Cl)C2)n2ncnc2n1 618256686 VYENROSXASYFLF-UHFFFAOYSA-N 343.774 1.990 0 40 EDAB Cc1nnc2c(N3CCC(C(=O)N4CCSCC4)CC3)nccn12 2298192571 OCSKMFHRTIGMNZ-UHFFFAOYSA-N 346.460 1.225 0 40 EDAB Cc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1 22915234 JHKHMGCDKWWLQG-UHFFFAOYSA-N 344.459 1.174 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 51161343 LOBFTFHXJYIIDK-GFCCVEGCSA-N 340.420 1.813 0 40 EDAB Cc1ccnc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 40553330 UHDJKBXSCQMZCY-AWEZNQCLSA-N 347.396 1.556 0 40 EDAB COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cc1 90601 SSLDMNORZOIZGF-MRXNPFEDSA-N 347.392 1.895 0 40 EDAB O=C(CN1CCN(C(=O)C2CCOCC2)CC1)Nc1ccccc1 22877651 GNSJKZIFYQTLLK-UHFFFAOYSA-N 331.416 1.196 0 40 EDAB Cc1ccc([C@@](C)(O)CNC(=O)c2sccc2-n2cnnn2)o1 78964059 MNICDABYYUVMFG-AWEZNQCLSA-N 333.373 1.263 0 40 EDAB CNC(=O)NCC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 95445130 XPJFJANUVAJYCW-UHFFFAOYSA-N 327.388 1.754 0 40 EDAB COc1ccc2cc(C(=O)OCc3nc(N)nc(N)n3)c(C)nc2c1 10726428 CFNHVUHGTLCCOQ-UHFFFAOYSA-N 340.343 1.258 0 40 EDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCc2ccccc2C1 24936344 YALSENXNOALHPK-INIZCTEOSA-N 336.391 1.702 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 106661537 HZTTUQOKEYFGJF-UAGQMJEPSA-N 333.476 1.863 0 40 EDAB CC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475839 RORAKWMYZDGRNI-NSHDSACASA-N 328.434 1.910 0 40 EDAB COc1ccc(-n2nnc(C(=O)N(C)Cc3cnn(C)c3)c2C)cc1 25304070 DHYASEQGGLGROP-UHFFFAOYSA-N 340.387 1.590 0 40 EDAB CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C)C)cc1 3277862 CVTAXULDFCZBQL-UHFFFAOYSA-N 336.388 1.227 0 40 EDAB O=C(N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)C1(O)CCCC1 107520371 YASUXYSSZRLJLD-SJORKVTESA-N 330.428 1.403 0 40 EDAB C[C@@H](NC(=O)CN1C[C@H](C(N)=O)Oc2ccccc21)c1cccs1 35271021 WAEIQNUEEFYARK-BXUZGUMPSA-N 345.424 1.678 0 40 EDAB COc1ccc(CCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC 57265236 CHGQBDZDIRYPML-GXTWGEPZSA-N 334.416 1.749 0 40 EDAB CCCCNC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 1784833 VBKHQOREZXUUGK-SNVBAGLBSA-N 334.445 1.894 0 40 EDAB CC[C@@H](C(=O)NCCc1sc(N(C)C)nc1C)N1CCCC1=O 95404274 XJCRXKQMKABYHU-LBPRGKRZSA-N 338.477 1.577 0 40 EDAB C[C@@H]1CCCCN1CCNC(=O)Cn1cc(C(F)(F)F)ccc1=O 48264861 MLEMQFWSLAKYQW-GFCCVEGCSA-N 345.365 1.858 0 40 EDAB O=C1CNC(=O)N1Cc1nc(-c2ccc3c(c2)OCCO3)cs1 58162794 WPOPQDNGDFEWSL-UHFFFAOYSA-N 331.353 1.633 0 40 EDAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 58217996 ASDVKFJJMXZDQB-UHFFFAOYSA-N 336.417 1.589 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc[nH]c1=O 44907383 NQTDLPAHAPPKKG-LLVKDONJSA-N 334.397 1.612 0 40 EDAB COc1ccc([C@H](C)NC(=O)N[C@H](C)c2nncn2C)c(OC)c1 44969053 SYIOIQCCTOJYPA-WDEREUQCSA-N 333.392 1.954 0 40 EDAB CCn1c(N)c(C(=O)CN2CCC[C@@H]2c2ccsc2)c(=O)[nH]c1=O 44977622 XNAABXQQBSSAFP-LLVKDONJSA-N 348.428 1.220 0 40 EDAB C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)[C@H](C)CO1 44909628 YFOOTIRCTYJTBX-GHMZBOCLSA-N 338.791 1.701 0 40 EDAB NS(=O)(=O)c1cnc(NCCc2cccc3cccnc23)s1 58426889 UIUXRVZZAIBQNT-UHFFFAOYSA-N 334.426 1.993 0 40 EDAB CCn1cc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)cn1 58423281 UMIKKARAEHALCO-UHFFFAOYSA-N 335.385 1.891 0 40 EDAB O=C(Cc1ccccc1F)N1CCN(CC(=O)N2CCCC2)CC1 36383678 MBSRZCMHBSKNRE-UHFFFAOYSA-N 333.407 1.135 0 40 EDAB Cc1c(CCC(=O)NCC2(N3CCOCC3)CCCCC2)cnn1C 28575211 CTLWKVIJNBZZAX-UHFFFAOYSA-N 348.491 1.812 0 40 EDAB CCc1nc([C@@H]2CCCN2CCn2nc3ccccn3c2=O)no1 72279305 QNIRHEURRNCCJK-LBPRGKRZSA-N 328.376 1.279 0 40 EDAB C[C@@H](CNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 48311698 CZEZIMNQLBWHMN-DZGCQCFKSA-N 339.461 1.513 0 40 EDAB O=C(NCCN1CCOCC1)c1ccc(OCc2cccnc2)cc1 48343631 NBHLQLZLNIVWAY-UHFFFAOYSA-N 341.411 1.723 0 40 EDAB COCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12807639 DYIMVPVADAVKBP-UHFFFAOYSA-N 329.400 1.889 0 40 EDAB COc1ccc(S(=O)(=O)NCc2cccc3c2OCCO3)cc1 60371482 QAWIIAXICBDOHE-UHFFFAOYSA-N 335.381 1.945 0 40 EDAB C[C@@H]1CN(C(=O)CSc2nncn2-c2ccccc2)C[C@@H](C)O1 3453107 IDVSYXBYGPVWGL-CHWSQXEVSA-N 332.429 1.995 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N(C)c2c(C)noc2C)ccc1O 72306299 ZHKPUFWTQFWZLN-UHFFFAOYSA-N 340.357 1.609 0 40 EDAB O=C(CCc1nnc(-c2ccccc2)o1)N[C@@H]1CCc2nccn2C1 65478733 MQQMPBZEHOLZNU-CQSZACIVSA-N 337.383 1.997 0 40 EDAB COC(=O)c1cccc(C(=O)NCCNC(=O)c2cccnc2)c1 65536470 NYBKQKUQNFWWAE-UHFFFAOYSA-N 327.340 1.028 0 40 EDAB Cc1noc(CCCC(=O)N2CSC[C@H]2C(=O)NCC2CC2)n1 65522936 PBIATKFFNQBKEL-LBPRGKRZSA-N 338.433 1.128 0 40 EDAB Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NC1CCC(C)CC1 65535416 DAEYWBIWZSLJRG-UHFFFAOYSA-N 341.415 1.773 0 40 EDAB CC(C)N1C(=O)C(=O)N(CC(=O)NC[C@@H](C)c2ccccc2)C1=O 5365424 DALKWDQPIDIRLV-GFCCVEGCSA-N 331.372 1.106 0 40 EDAB NC(=O)C1(CNC(=O)c2cc3c(cc2O)CCCC3)CCOCC1 65617833 JHFVOGWCMPDVLB-UHFFFAOYSA-N 332.400 1.283 0 40 EDAB C[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C[C@@H](C)O1 6576764 PEDJSUQELMFYGY-VFVRVIDISA-N 345.399 1.089 0 40 EDAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@H](c2cccc(F)c2)C1 66693718 CNTLVGQWJZRYKP-CJNGLKHVSA-N 332.375 1.737 0 40 EDAB Cn1c(C2CC2)nc2c1CCN(Cc1nnnn1-c1ccccc1)C2 84310960 IHPYUJWVBWKKFT-UHFFFAOYSA-N 335.415 1.832 0 40 EDAB O=C(O)C1CCN([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)CC1 9305135 KKUNVSGKTAJTPK-CYBMUJFWSA-N 336.775 1.769 0 40 EDAB COc1cc(F)ccc1NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 67564695 DVGCXFOFCPYYGX-LLVKDONJSA-N 345.396 1.380 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(-n2cnnn2)cc1 15645758 MFHFEVMDYJDXAJ-UHFFFAOYSA-N 336.311 1.209 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N1CCN(CCOc2ccccc2)CC1 72403543 SVAYXKHBAAAMPE-HZPDHXFCSA-N 346.427 1.566 0 40 EDAB CCN(CC)S(=O)(=O)NCc1ccccc1N1CCOCC1 67716871 ZJTZKLYLLDMAFS-UHFFFAOYSA-N 327.450 1.199 0 40 EDAB COCc1nnc(NC(=O)c2nn(C)c(=O)c3ccccc23)s1 72404769 AYSVDMLRNBSYTN-UHFFFAOYSA-N 331.357 1.184 0 40 EDAB COc1cccc([C@@]2(C)NC(=O)N(NC(=S)NC3CC3)C2=O)c1 7679284 YMFUMVIDRLSJHC-OAHLLOKOSA-N 334.401 1.004 0 40 EDAB COc1cccc(C(=O)N2CCCN(C[C@H](O)C(F)(F)F)CC2)c1 97378058 JCIMLGXRCGQZQU-AWEZNQCLSA-N 346.349 1.766 0 40 EDAB CCCN1CC[C@@H](CNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1 69295802 UPGCPWLMEOTENW-DOTOQJQBSA-N 344.459 1.823 0 40 EDAB O=C(Nc1ccncc1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 69367439 KNGMXXACEVJZDV-LBPRGKRZSA-N 337.426 1.935 0 40 EDAB Cn1ccnc1CN1CCN(Cc2nc(-c3ccoc3)no2)CC1 69443576 RRHZPBIBXIGIBS-UHFFFAOYSA-N 328.376 1.381 0 40 EDAB Cc1cc2ccccc2n1CC(=O)NC[C@@H](C)N1CCN(C)CC1 71867433 DERXVWZVQXKPJG-MRXNPFEDSA-N 328.460 1.702 0 40 EDAB Cc1nc2n(n1)C[C@H](NCc1nnnn1-c1c(C)cccc1C)CC2 71879313 HJHSPFBSLHXZMV-CQSZACIVSA-N 338.419 1.284 0 40 EDAB CN1CCN(C(=O)[C@H]2CCCN2c2ncnc3sccc23)CC1 71826806 KWJPCWDNWYYGOJ-CYBMUJFWSA-N 331.445 1.434 0 40 EDAB Cc1ccncc1NC(=O)C(=O)N1CCO[C@H](c2ccccc2)C1 71857626 ZGZGURQTCRFKON-INIZCTEOSA-N 325.368 1.929 0 40 EDAB COc1ccc(Cl)cc1NCC(=O)Nc1cnn(CC(N)=O)c1 69520158 UVUBIYJXXLICJY-UHFFFAOYSA-N 337.767 1.081 0 40 EDAB O=C(Nc1cc(-c2c(F)cccc2F)[nH]n1)[C@H]1CCS(=O)(=O)C1 69563325 DPRLKHWBXCFNMN-QMMMGPOBSA-N 341.339 1.728 0 40 EDAB Cc1c(C(=O)N(C)C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 69517137 JMZFRVIBSINYIC-UHFFFAOYSA-N 337.424 1.860 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Nc1cc(F)ccc1OC[C@H]1CCCO1 69740650 GMVRUJMBNJNUPP-ZYHUDNBSSA-N 339.367 1.640 0 40 EDAB CCN1CCN(C2CCN(CC(=O)Nc3cc(C)no3)CC2)C1=O 69701853 OVDLNNKYTUNSOG-UHFFFAOYSA-N 335.408 1.143 0 40 EDAB Cc1nnc([C@@H](C)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)o1 69772918 QHAIUJCSRXAUMV-NPCAHTBFSA-N 349.479 1.752 0 40 EDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1cccc(Cl)c1 8656798 SRISYXHAUUXBER-UHFFFAOYSA-N 329.747 1.627 0 40 EDAB CC(C)OCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1 8685081 MTPAYGISJRICEE-UHFFFAOYSA-N 331.463 1.436 0 40 EDAB COCCc1noc(CN(C)[C@@H]2CCCN(c3ccc(C)nn3)C2)n1 69814087 GLNIJTGXMTZZJD-CQSZACIVSA-N 346.435 1.458 0 40 EDAB CCN(C(=O)CS(=O)(=O)c1cc(OC)c(OC)cc1C)C1CC1 69885331 BMPHALISFZJUDZ-UHFFFAOYSA-N 341.429 1.797 0 40 EDAB Cc1ccc(N2CCC[C@@H](NCC(=O)Nc3cc(C)nn3C)C2)nn1 69814901 TXTWVEUBHMCDLW-CQSZACIVSA-N 343.435 1.024 0 40 EDAB COc1ccc(-c2noc(C[C@@H]3CCS(=O)(=O)C3)n2)cc1OC 69895485 YXJIEXPWECQXAR-JTQLQIEISA-N 338.385 1.731 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)NCc1nnc2ccccn12 18124246 NRNRFXAFPOWXLI-UHFFFAOYSA-N 348.366 1.854 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)NCc1csc(C2CC2)n1 69933303 YVVFWRKMTLAUPM-UHFFFAOYSA-N 340.430 1.515 0 40 EDAB CN(C)C[C@H]1CN(CC(=O)NCCc2ccc(Cl)cc2)CCO1 69948639 PBLPVMOXXGINMH-INIZCTEOSA-N 339.867 1.261 0 40 EDAB CCCCS(=O)(=O)NC[C@@H](O)CN1CCc2ccccc2C1 71916211 PZLSHNQZILFBLH-MRXNPFEDSA-N 326.462 1.125 0 40 EDAB CC[C@@H]1CN(C(=O)c2cnc3[nH]nc(C)c3c2)C[C@@H]1N1CCOCC1 84736054 IOULTAKVOKMLHZ-CJNGLKHVSA-N 343.431 1.449 0 40 EDAB COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccs1 97015093 WPXCFTSPBVCRDK-SECBINFHSA-N 328.419 1.299 0 40 EDAB Cc1cccc(OCC(=O)N2CCN(Cc3ncnn3C)CC2)c1C 97012386 GUUMAGTVRKOIDT-UHFFFAOYSA-N 343.431 1.155 0 40 EDAB C[C@@H]1OCCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)[C@@H]1C 95995586 HJPWYFBUEMAAEC-BDAKNGLRSA-N 344.209 1.789 0 40 EDAB Cc1ccc(C(=O)NC2CCN(C(=O)NC[C@@]3(C)CCOC3)CC2)o1 95959267 VKVGJJZYSNAANK-GOSISDBHSA-N 349.431 1.918 0 40 EDAB Cc1nnc(S(=O)(=O)CC(=O)NC2CC2)n1C1CCCCC1 95953955 JRUSVVXMIBQNCB-UHFFFAOYSA-N 326.422 1.144 0 40 EDAB CC(C)[C@H](CN1CCOCC1)NCc1nnnn1-c1ccccc1 95941480 WLZURCJYUWPRJF-INIZCTEOSA-N 330.436 1.109 0 40 EDAB CC(C)c1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc(=O)[nH]1 95985902 UHDFUQAMDBWSCR-CYBMUJFWSA-N 329.404 1.642 0 40 EDAB COCCN1CCC(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 89414244 SQFOBNIZIRLMCY-QGZVFWFLSA-N 346.427 1.243 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Nc1ccn(C)n1 75146057 WBKIDJHQTQJQSA-HNNXBMFYSA-N 342.447 1.752 0 40 EDAB Cc1cccc(-c2ccc(C(=O)NCCS(C)(=O)=O)c(=O)[nH]2)c1 75121100 SBSVMAHTDFSGSE-UHFFFAOYSA-N 334.397 1.125 0 40 EDAB COC(=O)c1oc(CN2CCN(Cc3n[nH]c(C)n3)CC2)cc1C 89606828 MMDPJRLJGHHEIE-UHFFFAOYSA-N 333.392 1.119 0 40 EDAB NC(=O)COCCNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 89783280 QROYTHPJZUWEKZ-RYUDHWBXSA-N 341.205 1.171 0 40 EDAB COc1cccc(COCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 76052905 QEQFYFJHGDURPY-MAUKXSAKSA-N 348.443 1.391 0 40 EDAB CC(C)(C)c1nc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)no1 76060236 FUQGTCHMNVDCLI-SNVBAGLBSA-N 332.408 1.569 0 40 EDAB CC(=O)Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1 20984024 YVKNIHPMAOTCLB-UHFFFAOYSA-N 339.427 1.858 0 40 EDAB COc1cc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc(OC)c1O 524729867 MHROSCUUFBUZJK-LLVKDONJSA-N 345.351 1.858 0 40 EDAB biogenic COC(=O)C(=Cc1ccc(OCC(=O)O)c(Cl)c1)C(=O)OC 409043735 AFDMALVPXKDBRQ-UHFFFAOYSA-N 328.704 1.533 0 40 EDAB CNC(=O)CSc1nnc(-c2ccccc2)n1C[C@H]1CCCO1 35292016 NQEAEROXQAXATK-CYBMUJFWSA-N 332.429 1.962 0 40 EDAB O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccccc1Cl 70639386 ZGYZJNKYGXFFBM-CYBMUJFWSA-N 332.787 1.998 0 40 EDAB O=C1C[C@@H](C(=O)Nc2ccc(Br)cc2)n2ncnc2N1 66087765 QHIALDYEGFUVKH-VIFPVBQESA-N 336.149 1.563 0 40 EDAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CCC(=O)N1Cc1ccco1 72239554 QQSCCUVOLDXNLT-MRXNPFEDSA-N 344.415 1.780 0 40 EDAB C[C@@H](NC(C)(C)CNC(=O)NCCN1CCOCC1)c1ccccc1 79101793 RVQJHFVZIKZZBN-MRXNPFEDSA-N 348.491 1.747 0 40 EDAB COc1cccc(Oc2nccnc2C2CCN(C(=O)CN)CC2)c1 72363207 USPAQAQAJOBFQI-UHFFFAOYSA-N 342.399 1.942 0 40 EDAB CCC(C)(C)n1nnnc1[C@H](c1ccc(O)cc1)N1CCN(C)CC1 35311517 VJEQYUXRZLMNHK-INIZCTEOSA-N 344.463 1.861 0 40 EDAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCc2cnn(C)c2)cc1 76871889 CIGRXUXNHNVGSX-MRXNPFEDSA-N 327.384 1.963 0 40 EDAB Cn1nc(C(=O)O)cc1C(=O)NCc1ccc(Br)s1 1574464806 AGGZPIZNAMKDTI-UHFFFAOYSA-N 344.190 1.872 0 40 EDAB O=C(CNC(=O)Cc1cnn(-c2ccccc2)c1)NCc1ccco1 40040397 DEPJRBMFSKOHPO-UHFFFAOYSA-N 338.367 1.440 0 40 EDAB O=C1COC(=O)N1C1CN(C(=O)C2(c3cccs3)CCCC2)C1 225696015 HQTIGOGEEWKRQK-UHFFFAOYSA-N 334.397 1.750 0 40 EDAB COCCOc1ncccc1CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 225520955 XFTWKLQEGNJJAP-CYBMUJFWSA-N 344.415 1.560 0 40 EDAB O=C(NCC1(O)Cc2ccccc2C1)[C@@H]1COc2ccccc2O1 225714859 ZRSGTGCDXOXMAL-KRWDZBQOSA-N 325.364 1.473 0 40 EDAB CO[C@@H]1CN[C@@H](C(=O)N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)C1 225630929 LRYZCHXLZWSAPM-WDEREUQCSA-N 346.353 1.511 0 40 EDAB CCc1c[nH]c(S(=O)(=O)Cc2nnc(-c3ccccc3)n2C)n1 195055994 DAECDYDOYGHLGA-UHFFFAOYSA-N 331.401 1.742 0 40 EDAB Cc1ccc(N2CCC[C@]3(COCCN(c4cnccn4)C3)C2)nn1 96229145 QTEIGTBDDPBYAX-SFHVURJKSA-N 340.431 1.698 0 40 EDAB CC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2nccn2C)CC[C@@]1(C)O 514288746 BFTYKMBZTDSGSP-GBESFXJTSA-N 342.443 1.623 0 40 EDAB biogenic,in-vitro O=C1NCCN1C1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 578244736 HKAMPYYSTLNTTP-GOSISDBHSA-N 344.459 1.381 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1nccs1)C2)N1CCCC1 96108306 ZVTOHFPLFCPPKT-CJNGLKHVSA-N 336.461 1.397 0 40 EDAB CCN1CCN(C(=O)c2nnn(Cc3ccccc3)c2OC)CC1 96183484 CUWCUHFJRVQPOF-UHFFFAOYSA-N 329.404 1.113 0 40 EDAB O=C([C@@H]1CCCO1)N1CCOC[C@]2(CCN(Cc3ccco3)C2)C1 96202156 QHRFWIMKLXQDEJ-WMZOPIPTSA-N 334.416 1.510 0 40 EDAB CN(C)C(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 96049265 MKUWCHVTUMFWPD-YVEFUNNKSA-N 331.372 1.747 0 40 EDAB O=C(Cc1cccnc1)N1CCOC2(CCN([C@H]3CCOC3)CC2)C1 96158986 KVNXSOJDRJIOSY-KRWDZBQOSA-N 345.443 1.106 0 40 EDAB CCOC(=O)c1nn(CC(C)C)c(N)c1I 95094676 LVQGNVULRILSEE-UHFFFAOYSA-N 337.161 1.903 0 40 EDAB O=C(c1cnccn1)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96202265 NZOBGUAFUMISBN-GOSISDBHSA-N 339.399 1.241 0 40 EDAB Cc1occc1C(=O)N1CCc2c(CNS(C)(=O)=O)cncc2C1 96189479 YOQORZQIOXHZRB-UHFFFAOYSA-N 349.412 1.231 0 40 EDAB CN(C)CCn1c2c(ccc1=O)CCN(C(=O)c1ccsc1)CC2 96196653 UOGBICFAVNJWEY-UHFFFAOYSA-N 345.468 1.712 0 40 EDAB CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(CCc3ccccc3)C2)C1 96107906 IIBVYMDRGQGBFP-IAGOWNOFSA-N 338.473 1.402 0 40 EDAB CCN(C)S(=O)(=O)NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C 583651290 IQJDRUZEQPBEMI-LLVKDONJSA-N 339.458 1.253 0 40 EDAB COC[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)Cc2ccccc2)O1 96186032 OTTNDIBDQZLMDG-JYJNAYRXSA-N 325.430 1.785 0 40 EDAB CNC(=O)NC[C@@H]1CCC2(CCN(c3ncc(C)cn3)CC2)CO1 96224967 FMASIMITNQJAGM-AWEZNQCLSA-N 333.436 1.480 0 40 EDAB Cc1ncoc1C(=O)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 96216562 SQMYKXAKEMYYTK-CRAIPNDOSA-N 343.383 1.683 0 40 EDAB O=C1C[C@@]2(CCCCN2C(=O)[C@H]2CCCO2)CN1Cc1ccncc1 96071751 ZEVUSUCPOFYDCN-APWZRJJASA-N 343.427 1.744 0 40 EDAB O=C(C[C@H]1C[C@H]2CN(CC3CCOCC3)C[C@H]2O1)N1CCCCO1 96216153 BEQRNCNZBRFYEH-GVDBMIGSSA-N 338.448 1.446 0 40 EDAB COc1ccc(S(=O)(=O)N2Cc3cccn3C[C@H](OC)C2)cc1 247817535 BVLDPKLLODOLFI-HNNXBMFYSA-N 336.413 1.716 0 40 EDAB COC[C@@H]1CN(C(C)=O)CC12CCN(Cc1cccnc1OC)CC2 247962720 WATRVVAQDHTKHB-KRWDZBQOSA-N 347.459 1.797 0 40 EDAB CN(C)c1c(Cl)cccc1NC(=O)N1C[C@H]2C[C@H]1CS2(=O)=O 585087344 XZTQEOAIFUKFIR-VHSXEESVSA-N 343.836 1.809 0 40 EDAB CCCCNC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 243089312 IVJZUAMAWPOMKF-UHFFFAOYSA-N 328.434 1.686 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 247406348 OPDLGRLTSKKLMS-YYFQZIEXSA-N 329.352 1.321 0 40 EDAB COC(=O)C1(CNC(=O)Cc2ccc(Br)c(O)c2)CC1 585132488 YBBHNDXACYMQSB-UHFFFAOYSA-N 342.189 1.767 0 40 EDAB CC(=O)N(C)CC(=O)N1C[C@@]2(C)CN(Cc3ccccc3)C[C@]2(C)C1 585129141 YYSOIXQNFGIFSB-WOJBJXKFSA-N 343.471 1.835 0 40 EDAB Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN2C2CCOCC2)n1 257244258 IKPGJZAFNRQSRH-SFHVURJKSA-N 332.448 1.977 0 40 EDAB O=C(NCc1ccc(N=c2cc[nH]cc2)cc1)N1CCO[C@@H](CO)C1 585137323 SGDMGMGNZVXKGN-QGZVFWFLSA-N 342.399 1.150 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCC(=O)NC12CCC2)c1nc(C(C)(C)C)no1 252480691 CCZWPMJZJKYWDC-WDEREUQCSA-N 349.435 1.929 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@@H]2c2ncnn2-c2ccccc2)on1 252494276 NQNDECVGCVRJTP-CQSZACIVSA-N 339.355 1.777 0 40 EDAB CNc1cnc(C[C@@H]2CCCN(C(=O)Cc3nonc3C)CC2)cn1 257304737 SMYVGTVRZMKFOK-CYBMUJFWSA-N 344.419 1.624 0 40 EDAB CC(=O)N[C@@H]1CCOC2(CCN(C(=O)Cc3ccccc3)CC2)C1 257279210 OFNONLYFTRMKIQ-QGZVFWFLSA-N 330.428 1.905 0 40 EDAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccccn1 85467745 PETURAKHUFZVJZ-OAHLLOKOSA-N 342.374 1.587 0 40 EDAB O=C(CN1CCCCCC1=O)NCc1cnc([C@H]2CCCCO2)nc1 257233606 GPXFSLVVUSPXJA-OAHLLOKOSA-N 346.431 1.737 0 40 EDAB Cn1cc(-c2cncc(C[C@H]3CCCN(S(C)(=O)=O)C3)n2)cn1 257314013 UVAIQTCTZXHCPH-GFCCVEGCSA-N 335.433 1.091 0 40 EDAB COc1c(C(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)cnn1C 1615050000 GIRPWENUJSERPJ-NSHDSACASA-N 328.372 1.136 0 40 EDAB Cc1ccnc(CNS(=O)(=O)c2cc(F)ccc2NCCO)c1 1615046239 JKRDAESBNCLXCA-UHFFFAOYSA-N 339.392 1.412 0 40 EDAB COC[C@@H](C)n1cc(C(=O)NCc2cc3n(n2)CCCO3)c(C)n1 1615056599 URVBXIWOXITJIF-LLVKDONJSA-N 333.392 1.308 0 40 EDAB COCCN(Cc1nnc(S(C)(=O)=O)s1)[C@@H]1C[C@H]2CC[C@H]1C2 390834718 UECIZDTWXIEXJH-SDDRHHMPSA-N 345.490 1.579 0 40 EDAB Cc1ccc(OC[C@@]2(O)COCCN(C(=O)CN3CCCC3)C2)cc1 585269538 YFWSJOKMBUYGAO-IBGZPJMESA-N 348.443 1.060 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@@]2(CCN(C(=O)c3ccnn3C)C2)C1=O 585107155 QGATXONTUKGZDP-KXBFYZLASA-N 338.411 1.508 0 40 EDAB CO[C@]1(COc2ccccc2)COCCN(C(=O)c2cnc[nH]2)C1 585277455 WYZNMDOIAHCJSW-KRWDZBQOSA-N 331.372 1.346 0 40 EDAB Cc1cnc(-c2cncc(C[C@H]3CCCN(S(C)(=O)=O)C3)n2)[nH]1 585178904 KEOYOTQRFJESBB-GFCCVEGCSA-N 335.433 1.389 0 40 EDAB Cn1cnc([C@@H]2CN(C(=O)NC(C3CCC3)C3CCC3)C[C@H]2N)c1 1550721123 BDWQDFZHVJUODE-HUUCEWRRSA-N 331.464 1.825 0 40 EDAB Cn1ncnc1CN1CCC(Cn2cnc3ccccc3c2=O)CC1 1776001690 GSXMNTBPFMKDCW-UHFFFAOYSA-N 338.415 1.437 0 40 EDAB COC[C@@](C)(NC(=O)CCc1ncc(-c2ccc(C)cc2)o1)C(N)=O 75137480 UQFADHQMPSUPFM-GOSISDBHSA-N 345.399 1.589 0 40 EDAB Cc1ccc(NC(=O)[C@@H](O)[C@H](O)C(=O)Nc2ccc(C)cc2)cc1 241105 KNHRUQNJVNHSIR-HOTGVXAUSA-N 328.368 1.602 0 40 EDAB C/C(Cl)=C\Cn1c(SC[C@H](C)O)nc2c1c(=O)[nH]c(=O)n2C 315541 ORNTXSUIPFLHRO-IPWDFOCMSA-N 344.824 1.039 0 40 EDAB O=C(CC1=Nc2ccccc2S(=O)(=O)N1)NCc1cccs1 952874630 QKNUCCUIOAOAFH-UHFFFAOYSA-N 335.410 1.777 0 40 EDAB O=C(NCCCN1CCCCC1)c1c(O)c2c([nH]c1=O)CCCC2 18202488 GUGGQFVDVSKUBP-UHFFFAOYSA-N 333.432 1.565 0 40 EDAB biogenic COc1ncc(NC(=O)c2cccc(OC)c2OC)c(N(C)C)n1 206729273 JUBXJZHFZNUQGN-UHFFFAOYSA-N 332.360 1.821 0 40 EDAB CS(=O)(=O)NCCC(=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 106648536 XRFAYNLRYDCHMG-XQLPTFJDSA-N 328.478 1.743 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)nn1 225437308 GEXUXQZJAAJKLS-GFCCVEGCSA-N 332.360 1.312 0 40 EDAB CCc1nc(N2C[C@@H]3CN(c4ccnc(C)n4)C[C@@H]3C2)nc(O)c1F 1888854183 FZJMSXVUZNIFKK-TXEJJXNPSA-N 344.394 1.555 0 40 EDAB O=C(CN1CCO[C@@H](C(=O)N2CCCCC2)C1)NC1CCCCC1 1888921887 QQSMFRBWVRXDMY-MRXNPFEDSA-N 337.464 1.149 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc2c(c1)NC(=O)CO2 21194369 DDNDEWULQFNZMD-UHFFFAOYSA-N 340.295 1.408 0 40 EDAB Cc1ccn2c(=O)cc(CN(C)S(=O)(=O)c3cccs3)nc2c1 23658349 ZPXRQACLLKVFJT-UHFFFAOYSA-N 349.437 1.885 0 40 EDAB CCOc1nccn2c(CNC(=O)c3nn(CC)cc3Cl)nnc12 244969124 GZJSKTLRTKBDBF-UHFFFAOYSA-N 349.782 1.323 0 40 EDAB COc1cc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)cc(OC)c1 2037983797 GLWWPKGHNWIPER-IBGZPJMESA-N 348.443 1.917 0 40 EDAB CC(C)N1C[C@@]2(CCN(C(=O)Cc3ccc(F)cc3)C2)COCC1=O 2037985688 SDDWBWYTVYLVHN-IBGZPJMESA-N 348.418 1.854 0 40 EDAB Cc1cc(N2CCCC2)nc(N2CCN(CC3(O)CCC3)CC2)n1 2087122366 NBNLNKDEVKYIKI-UHFFFAOYSA-N 331.464 1.422 0 40 EDAB O=S(=O)(c1cccc(Cl)c1)N1CCCN([C@@H]2CCOC2)CC1 1565522411 PFLMXEVRTULIDI-CQSZACIVSA-N 344.864 1.825 0 40 EDAB O=C(C1CC(F)(F)C1)N1C[C@@H]2OCCN(Cc3cccnc3)[C@@H]2C1 1565549396 QOVBSLYVYAXUTF-CABCVRRESA-N 337.370 1.539 0 40 EDAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)Oc1ccccc1 44003520 YFINHYYTQQXOKS-UHFFFAOYSA-N 338.429 1.979 0 40 EDAB COc1ccnc(N2CCN(c3cccc(-n4cccn4)n3)CC2)n1 2298060333 IYUNJGHCXUAHQB-UHFFFAOYSA-N 337.387 1.393 0 40 EDAB COC(=O)[C@H]1CCCCN1C(=O)[C@@H]1COc2cc(OC)ccc2C1 50606942 AAZKOIHVJCVYLZ-DZGCQCFKSA-N 333.384 1.800 0 40 EDAB O=C(NCc1cccs1)NC[C@@H](O)CN1CCc2ccccc2C1 40541890 ACDJUYQSGUUFKO-MRXNPFEDSA-N 345.468 1.967 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCCN(C[C@@H]2CCCO2)CC1 40527712 SCQULSNXAGJDKX-HNNXBMFYSA-N 333.498 1.150 0 40 EDAB Cn1cc(S(=O)(=O)NCc2ccc(N3CCCCCC3)nc2)cn1 40539681 JJZZDLKNHJNKRY-UHFFFAOYSA-N 349.460 1.674 0 40 EDAB O=C(NCc1ccco1)c1nnn2c1[nH]c(=O)c1cc(F)ccc12 20721845 FUZJRGZMMCOTTM-UHFFFAOYSA-N 327.275 1.233 0 40 EDAB CC1=NN(CC(C)C)C(=O)[C@H]1C(=O)NCCCc1c(C)noc1C 101902129 LYWWGXRQWMBUQS-OAHLLOKOSA-N 334.420 1.831 0 40 EDAB CCCNC(=O)[C@H](C)Sc1nnnn1CCc1cccs1 32858484 GALMWKRDDJGDLI-JTQLQIEISA-N 325.463 1.984 0 40 EDAB CN(C)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 32825584 JDIOCAAOWBOFDL-UHFFFAOYSA-N 335.179 1.030 0 40 EDAB COc1ccccc1[C@@H](O)CNC(=O)NCc1cccnc1N(C)C 41441280 BKBHSQBPBHBQPB-HNNXBMFYSA-N 344.415 1.689 0 40 EDAB COc1ccccc1OCC(=O)Nc1cccc(-n2nnnc2C)c1 41984197 OJPMJNOPGQJRBL-UHFFFAOYSA-N 339.355 1.997 0 40 EDAB COCCNC(=O)Cn1nc(C2CC2)c2c(C(=O)O)cc(C)nc21 12396435 SXYDLFZRZKRIQW-UHFFFAOYSA-N 332.360 1.078 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104121631 XVXKKBRSEUKFJE-QHZLYTNSSA-N 336.465 1.458 0 40 EDAB CCc1ccc([C@H]2CCCN2S(=O)(=O)NCCn2cncn2)o1 78880138 LWRPGDQIVICASS-CYBMUJFWSA-N 339.421 1.105 0 40 EDAB CCn1cc(NC(=O)CCn2nc(C)c(Cl)c2C)c(C(N)=O)n1 2781287 AODMSICGTCUIIA-UHFFFAOYSA-N 338.799 1.497 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)CNC(=O)c3cccs3)C2)n1 54121438 KNOGSLYFLRDYHM-LLVKDONJSA-N 334.401 1.576 0 40 EDAB CCCS(=O)(=O)N[C@H](C)C(=O)NCC(C)(C)c1ccccc1 42494536 GEFPIAJABXBBAZ-CYBMUJFWSA-N 326.462 1.798 0 40 EDAB CCOc1ccc(NC(=O)C[C@H](NC[C@@H]2CCCO2)C(=O)O)cc1 4318871 UGKFLDMVKLTRSI-GJZGRUSLSA-N 336.388 1.636 0 40 EDAB CCN1C(=S)N[C@H]2c3cccc(OC)c3O[C@@]1(C)[C@H]2C(=O)OC 104771122 DIEMYJGTBZSYDH-WQGACYEGSA-N 336.413 1.844 0 40 EDAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)NC[C@H]1CCS(=O)(=O)C1 89621544 YUWSKWVCJYPMGW-CHWSQXEVSA-N 342.465 1.032 0 40 EDAB CCNC(=O)c1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCO2)C1 23411494 IZCDKEKIRJIIKN-AWEZNQCLSA-N 328.416 1.781 0 40 EDAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(NS(C)(=O)=O)CC2)C1(C)C 54483834 PLIYVPWMEVNJAZ-KGLIPLIRSA-N 328.478 1.765 0 40 EDAB CCn1cc(Cl)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)n1 1019118 FFMMPSVRWXPGAK-UHFFFAOYSA-N 336.779 1.748 0 40 EDAB CCN1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 7960786 YUQILEPEEVKFQA-AWEZNQCLSA-N 339.461 1.151 0 40 EDAB Nc1cc(N)nc(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)n1 12538951 UVXXACZRSSUNJR-UHFFFAOYSA-N 334.792 1.823 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCCS(=O)(=O)c1ccc(Br)cc1 95394955 MNCCHICOLURGDN-JOYOIKCWSA-N 346.246 1.995 0 40 EDAB Cc1cc(C)n(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)n1 95350735 VLNPSQYPEKKGSQ-INIZCTEOSA-N 340.383 1.793 0 40 EDAB COC(=O)CNC(=O)c1ccccc1N(C)C(=O)c1cccs1 55963534 ZLWDFAKMOTZJBF-UHFFFAOYSA-N 332.381 1.928 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2cc(F)ccc2Br)CCO1 43700396 GFIHIQSBAIKMDH-JTQLQIEISA-N 332.125 1.514 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCC2(c3cccc(F)c3)CCOCC2)C1 56801481 SFWLUZOWXBVFQF-ZDUSSCGKSA-N 349.406 1.391 0 40 EDAB Cc1cn2nc(NC[C@H]([C@H]3CCOC3)N3CCOCC3)sc2n1 26701927 HGPNTLSKLFNTKF-QWHCGFSZSA-N 337.449 1.248 0 40 EDAB COc1cccc(N2CCN(CCN3C(=O)NC(C)(C)C3=O)CC2)c1 26921190 YZNIOHUNJMOJAE-UHFFFAOYSA-N 346.431 1.148 0 40 EDAB CCCn1c(=O)n(CN(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc21 27169663 WWFWYJSZBHZQHQ-CYBMUJFWSA-N 337.445 1.289 0 40 EDAB O=C(CN1CCn2c(nnc2-c2ccccc2)C1)Nc1nncs1 72900242 SKHAKJRVSIAVML-UHFFFAOYSA-N 341.400 1.251 0 40 EDAB CC(=O)N1CCC(NC(=O)NCCO[C@H]2CCCC[C@H]2C)CC1 48155128 WPDJKSGZOABVAS-CJNGLKHVSA-N 325.453 1.892 0 40 EDAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCC(=O)O)ccc12 2091744 WALOXTDZLGTBHG-SNVBAGLBSA-N 333.340 1.714 0 40 EDAB biogenic COc1ccc(OC)c([C@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 48234343 LHCBFTXATPYYRB-QWRGUYRKSA-N 342.417 1.251 0 40 EDAB CCOC(=O)C1(O)CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 84791225 USFJZUPGDWECQN-UHFFFAOYSA-N 330.384 1.627 0 40 EDAB COC(=O)c1cn([C@@H]2CCCC[C@H]2OC(=O)c2cnn(C)c2C)nn1 58280733 LDGBJUUUCKMCET-ZIAGYGMSSA-N 347.375 1.447 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Br)cc2O)C1 58282115 ZNKAFPPZWAFBND-LLVKDONJSA-N 341.205 1.895 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(Cl)c1 58282924 AKMAASFBIPALEK-AOOOYVTPSA-N 347.820 1.925 0 40 EDAB O=C1CCCN1c1nc(CC(=O)N(C[C@@H]2CCOC2)C2CC2)cs1 44941414 DHZLPSHRSSFHNH-LBPRGKRZSA-N 349.456 1.840 0 40 EDAB NC(=O)CC1CCN(C(=O)NCc2ccc(N3CCCC3)nc2)CC1 44968549 UBKPNIZPDWLECC-UHFFFAOYSA-N 345.447 1.479 0 40 EDAB Cc1ccc([C@H](CNC(=O)N2CCSCC2)N2CCOCC2)o1 44967262 HOKSMBGEHFCOTG-AWEZNQCLSA-N 339.461 1.720 0 40 EDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(OCC(N)=O)cc1 84736326 PYRDVNZENIXTSQ-NVXWUHKLSA-N 333.432 1.287 0 40 EDAB CCN(CC)[C@H](C)CNC(=O)c1cc(S(N)(=O)=O)c(C)cc1C 58343916 UHKOOCBRBGPNJR-CYBMUJFWSA-N 341.477 1.411 0 40 EDAB COCCNC(=S)N1[C@H]2CCC[C@H]1CC(NC(=O)C1CC1)C2 100426813 CPPZKXRJXKZLEP-KBPBESRZSA-N 325.478 1.419 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(Cc2cccnc2)C2CC2)n(C)c1 28517509 ADFDHCLKQAOKON-UHFFFAOYSA-N 348.428 1.133 0 40 EDAB CCN(CC)[C@H](CNC(=O)c1n[nH]c(=O)[nH]1)c1ccccc1Cl 48355012 UJLOTXZIHADVLI-GFCCVEGCSA-N 337.811 1.564 0 40 EDAB CCOc1cc2c(cc1CN1CCn3c(CO)nnc3C1)O[C@@H](C)C2 57822855 FIKJMUZQHKAJKQ-LBPRGKRZSA-N 344.415 1.508 0 40 EDAB Cc1cccc(CN2CCN(Cn3nc4ccccn4c3=O)CC2)c1 28706199 NJVPBIIQFJLOKK-UHFFFAOYSA-N 337.427 1.580 0 40 EDAB CCN1C[C@@H](C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)CC1=O 28835259 OFZNYFCPIVJFPZ-ZFWWWQNUSA-N 326.400 1.918 0 40 EDAB CN(C)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11547631 IRWNCGJLDPOJCL-UHFFFAOYSA-N 331.347 1.745 0 40 EDAB Cc1ccccc1Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 62720468 QAKUNHZVSVISFU-UHFFFAOYSA-N 349.188 1.543 0 40 EDAB CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O 3486250 FPZWZCIMUMWGOR-GFCCVEGCSA-N 325.315 1.870 0 40 EDAB O=S(=O)(CCOCCO)Cc1csc(-c2ccc(F)cc2)n1 60582304 AFSUBUOATDYHMD-UHFFFAOYSA-N 345.417 1.873 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1Cc1cccc(F)c1 46626545 LBQVENGMVUWHKX-HIFRSBDPSA-N 325.405 1.794 0 40 EDAB C[C@@H](NC(=O)N1CCN(CCc2ccccc2)CC1)c1nncn1C 46963856 NUZOCCGNRYPXPS-OAHLLOKOSA-N 342.447 1.446 0 40 EDAB COc1ccc(CC(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1 4166352 MXISODGGJKNSQD-UHFFFAOYSA-N 348.399 1.939 0 40 EDAB CCOCc1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1 5060961 NNNLRJSOAFZPPE-UHFFFAOYSA-N 337.357 1.821 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 26730639 WSRXYCQPEFRILS-ZDUSSCGKSA-N 341.411 1.858 0 40 EDAB CCc1cc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)on1 95445898 ILRIQKWYIHNXJG-UHFFFAOYSA-N 342.277 1.906 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)NCCCO)c(Cl)cc12 5206358 BEUBBSCOCFOGDP-UHFFFAOYSA-N 325.748 1.632 0 40 EDAB Cc1cc(C(=O)NCCN2C(=O)CSC2=O)nn1-c1ccccc1 65415399 MXKNWACXFQFPQY-UHFFFAOYSA-N 344.396 1.606 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)COCCOc1ccccc1)CC2 65458087 CHBUWVXMAAENOE-CQSZACIVSA-N 330.388 1.113 0 40 EDAB O=C(NCC[C@@H]1CCCO1)[C@@H]1CCCN1C(=O)OCC(F)(F)F 65494498 HTIWYAUYWDHGFR-QWRGUYRKSA-N 338.326 1.835 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CCN(c2ncccn2)CC1 14093880 BUHVQMFMDDKGSO-UHFFFAOYSA-N 335.371 1.020 0 40 EDAB CC(C)N1C(=O)C(=O)N(CC(=O)NC[C@H](C)c2ccccc2)C1=O 5365427 DALKWDQPIDIRLV-LBPRGKRZSA-N 331.372 1.106 0 40 EDAB Cc1ccc(C)c(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 14193110 CQMDVSWRAIYSIF-QGZVFWFLSA-N 345.443 1.565 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1ccc(-n2cccn2)nc1 14100869 QZOQSNOJRRGOKA-UHFFFAOYSA-N 333.373 1.351 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1C 14186791 VFVHLZAWPOTKEI-OAHLLOKOSA-N 335.448 1.921 0 40 EDAB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 4505426 ABJOKFJGORQQAF-CYBMUJFWSA-N 345.486 1.792 0 40 EDAB CCNC(=O)[C@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 6930401 URTWWRAKBXFHCN-JTQLQIEISA-N 343.412 1.726 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c1C 9455734 HMVRLBCQQWCLPL-LLVKDONJSA-N 349.387 1.567 0 40 EDAB C[C@H](C(=O)NC(N)=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 67401378 GPMQFQRDNVDDIK-QMTHXVAHSA-N 339.823 1.669 0 40 EDAB COc1ccc([C@@H](Nc2cncc(C(N)=O)n2)c2nccn2C)cc1 80774905 UVSRGEIXMMXXIC-OAHLLOKOSA-N 338.371 1.519 0 40 EDAB CN1C[C@H](C(=O)NCCCOc2cccc3cccnc23)CC1=O 68391142 VIWDDHRORGJXEZ-CQSZACIVSA-N 327.384 1.598 0 40 EDAB CN1CC(=O)N(CCCC(=O)NCCc2ccc(Cl)cc2)C1=O 8078131 OFGDRDYCDBIWJZ-UHFFFAOYSA-N 337.807 1.673 0 40 EDAB CSc1ccsc1C(=O)N1CCCN(CC(=O)N(C)C)CC1 71884546 HFAQAKWLEWYMNJ-UHFFFAOYSA-N 341.502 1.706 0 40 EDAB Cc1ccc(Cn2nc(C)c(CCC(=O)Nc3nnn[nH]3)c2C)cc1 71883651 SKFDZNPTLUWFIC-UHFFFAOYSA-N 339.403 1.941 0 40 EDAB CCOC1CCN(C(=O)Cn2nc(C)c3ccccc3c2=O)CC1 71820694 MRXBNFFGEIJVGW-UHFFFAOYSA-N 329.400 1.732 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)COCc1nc2ccccc2s1 69351729 KJDRFZCLTXBJEQ-CYBMUJFWSA-N 347.440 1.940 0 40 EDAB CC(C)CN1CCC(NC(=O)NCC(=O)Nc2cccnc2)CC1 69414789 PBRNWDLUVFNCKA-UHFFFAOYSA-N 333.436 1.440 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@@H](C)O1 69490688 QTKHKQGTAXARIU-NXEZZACHSA-N 346.836 1.961 0 40 EDAB CC(C)(Oc1ccc2c(c1)CCCC2=O)C(=O)N[C@H]1CCCNC1=O 69419821 UTPHPAOJGLETJW-HNNXBMFYSA-N 344.411 1.758 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNC[C@@H](O)c1ccccc1 69414959 HLMOIPRATSQJTF-QGZVFWFLSA-N 330.432 1.388 0 40 EDAB COC(=O)N1CCC[C@H](C(=O)OCc2nc(-c3cccnc3)no2)C1 83891385 ZNMUOYBRHYSYFC-LBPRGKRZSA-N 346.343 1.653 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)Cc1csc(Cc2ccccn2)n1 89938090 CXPVNFZGCSDMGG-CYBMUJFWSA-N 330.457 1.834 0 40 EDAB C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)N1CCc2sccc2C1 69535549 NFMIWXOSJFXQQW-WCQYABFASA-N 331.445 1.217 0 40 EDAB COC(=O)[C@@H]1CCCN1CC(=O)NCCc1c(F)cccc1F 71907759 CYOUEZGIDMTIEZ-AWEZNQCLSA-N 326.343 1.261 0 40 EDAB CNC(=O)c1cc(NC(=O)NCc2ccccc2CO)ccc1F 69627522 WRHCVGYGNKQBCO-UHFFFAOYSA-N 331.347 1.999 0 40 EDAB COC(=O)[C@@](C)(NS(=O)(=O)c1cn(C)c(C)n1)c1ccccc1 69660616 XTUWOENURMYIPP-HNNXBMFYSA-N 337.401 1.095 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCN1C(=O)CNC1=O 75605157 BUDVVMOYRQKJQF-JTQLQIEISA-N 325.800 1.071 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)[C@@H]1COc3ccccc3C1)C2 69969586 WGNVGSCBYKETDS-AWEZNQCLSA-N 326.400 1.995 0 40 EDAB O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccco1 8743309 TXWDKZNDYROUHA-UHFFFAOYSA-N 342.355 1.454 0 40 EDAB CCOC(=O)[C@]1(NC(=O)CCc2cnn(C)c2)CCc2ccccc21 70989050 JAARQNSWSGYNSM-IBGZPJMESA-N 341.411 1.874 0 40 EDAB O=C1C[C@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CN1 95940936 WWRWDWXGOLKMSY-VIFPVBQESA-N 338.289 1.966 0 40 EDAB O=C(c1ccccc1)N1CC(S(=O)(=O)NCCc2ccccn2)C1 95999821 IPLSCNULPQJXQE-UHFFFAOYSA-N 345.424 1.068 0 40 EDAB O=C(CCCN1C(=O)CNC1=O)N1CCC[C@H](c2nccs2)C1 72273473 FTJQWRQWWWIQDB-NSHDSACASA-N 336.417 1.181 0 40 EDAB CNC(=O)c1cncc(/C=C/C(=O)N(C)Cc2nc3ccccc3[nH]2)c1 72277417 HCLDGHSGHLFECC-BQYQJAHWSA-N 349.394 1.989 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)[nH]c(=O)n3C)no1 72299641 WPOFCHJKDOTKES-ZDUSSCGKSA-N 341.371 1.789 0 40 EDAB O=C(COc1ccc(F)cc1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72268992 WLZUANLYKHXZIG-CABCVRRESA-N 340.370 1.401 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72268965 HQGYRBIQNKCMDH-IRXDYDNUSA-N 326.400 1.301 0 40 EDAB CN(CCS(C)(=O)=O)[C@@H](CO)c1cccc(Br)c1 95980913 FSEAHXLYCCGAJL-LBPRGKRZSA-N 336.251 1.459 0 40 EDAB C[C@H](C(F)(F)F)S(=O)(=O)N(C)[C@H](C(N)=O)c1cccc(F)c1 95939942 KHMHCNQLFGGDQY-XCBNKYQSSA-N 342.314 1.565 0 40 EDAB CCc1nncn1CCNC(=O)NC[C@H]1COc2ccccc2C1 76085874 KNNUMMPVFZQVOT-ZDUSSCGKSA-N 329.404 1.391 0 40 EDAB Cc1ccoc1C(=O)NCCCNC(=O)N[C@@H]1CCN(CC2CC2)C1 76018607 VPRKXBGCJPGNRN-OAHLLOKOSA-N 348.447 1.491 0 40 EDAB Cc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c(=O)[nH]1 75119177 ROLNKDGFXLWRRI-QGZVFWFLSA-N 341.411 1.487 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CS(=O)(=O)CC(C)C 75130412 IBQNYQKBKWPMJB-CQSZACIVSA-N 341.477 1.771 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 69039126 ZLRYGRVQUZGBTQ-HNNXBMFYSA-N 348.428 1.114 0 40 EDAB Cc1c(C(=O)O[C@@H](C)C(=O)NC(=O)Nc2ccccc2)cnn1C 22285293 RRSJTEDZTWMNTN-NSHDSACASA-N 330.344 1.622 0 40 EDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc(Cl)c1 547559063 YRVFRLDIOWMAAT-SKDRFNHKSA-N 333.793 1.498 0 40 EDAB Cc1cccc(-c2nnc(SCC(=O)Nc3ncccn3)n2N)c1 409163519 SPWOCAJVPKZRJG-UHFFFAOYSA-N 341.400 1.488 0 40 EDAB CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccsc2)CC1 306133786 MWCHFFIDGHIAAA-UHFFFAOYSA-N 345.472 1.928 0 40 EDAB O=C(NCCn1ccnc1)c1c(-n2cnnn2)sc2c1CCCC2 524734198 HBXUNXQAXQGNBY-UHFFFAOYSA-N 343.416 1.229 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 409280300 KTLHBGHSBJYCFA-UMPJEAMMSA-N 347.754 1.716 0 40 EDAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 32643028 RDPLVVBOCXTCBE-GFCCVEGCSA-N 337.445 1.830 0 40 EDAB O=C(NCCc1nc(-c2ccccn2)no1)c1cccc2ccnn12 72148331 ACEXDQQDRTVYBL-UHFFFAOYSA-N 334.339 1.752 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2Cl)s1 36182808 YXSZOQBQXQDWGA-UHFFFAOYSA-N 332.794 1.951 0 40 EDAB C[C@H](NC(=O)CC[C@H]1NC(=O)NC1=O)C12CC3CC(CC(C3)C1)C2 33028288 LZOZRMDSRQMOLD-WZDKYTMSSA-N 333.432 1.696 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)COC 217432093 YYKKETWLDBOCGZ-QWRGUYRKSA-N 344.433 1.908 0 40 EDAB CCN(C(=O)NCc1c(C)nn(CC)c1C)[C@H](C)CS(C)(=O)=O 79036404 VQKGZTGUALDXAX-LLVKDONJSA-N 344.481 1.484 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1F 226687372 VCMJCHNADOYKGO-UHFFFAOYSA-N 331.365 1.598 0 40 EDAB COc1ccc(S(=O)(=O)NCCSc2ncn[nH]2)cc1C 222993884 JJEALTQUSUMBKE-UHFFFAOYSA-N 328.419 1.192 0 40 EDAB C[C@@H](c1cccc(F)c1)S(=O)(=O)CC(=O)NC[C@@H]1CCCO1 69620784 HNSOKYZMLNJXJW-FZMZJTMJSA-N 329.393 1.597 0 40 EDAB Cc1nccn1Cc1cccc(CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)c1 135513382 DGBFIAJSDFCYMI-CXAGYDPISA-N 349.456 1.837 0 40 EDAB CN(C)c1ccnc(CNS(=O)(=O)c2ccc(F)cc2F)n1 224196030 LTRFMFTTXJLHBU-UHFFFAOYSA-N 328.344 1.299 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1F 226686861 BUQUFPCZANCDJP-UHFFFAOYSA-N 344.408 1.514 0 40 EDAB CCS(=O)(=O)N(C)c1cccc(C(=O)NC[C@@H]2CCCO2)c1 225966928 AGBZKSVWULFXMR-AWEZNQCLSA-N 326.418 1.381 0 40 EDAB CCN(C)c1cccc(NC(=O)NC[C@](C)(O)c2cnn(C)c2)c1 96421912 RBIHUWSRDMEWCI-KRWDZBQOSA-N 331.420 1.905 0 40 EDAB O=C(Cc1ccon1)Nc1ncc(F)cc1I 96494831 KJFKXHTZROGVSQ-UHFFFAOYSA-N 347.087 1.995 0 40 EDAB O=C(NC1CCC(C(=O)O)CC1)c1ccc(-n2cncn2)c(F)c1 583652221 MNDIIMPXPPVMAJ-UHFFFAOYSA-N 332.335 1.780 0 40 EDAB Cc1noc([C@H]2C[C@H](O)CN2C(=O)Nc2ccc(C(C)(C)C)nn2)n1 583621762 KUPHTVBSFCGWBH-WDEREUQCSA-N 346.391 1.805 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCOc1cncc(Cl)c1 583652002 WSHJPQFLQPBMEC-UHFFFAOYSA-N 344.824 1.443 0 40 EDAB CS(=O)(=O)N1CC[C@@H](CN[C@@H]2CCCOc3cc(F)ccc32)C1 195557744 FTGVOAARWLZABV-SWLSCSKDSA-N 342.436 1.911 0 40 EDAB CS(=O)(=O)c1ccc2c(c1)nc1n2[C@@H](CNC2CCC2)COC1 96112772 JFXQWPWWPGELCM-LBPRGKRZSA-N 335.429 1.653 0 40 EDAB biogenic,in-vitro C[C@@H]1CN=C(N2CCN(C(=O)c3noc4c3CCCC4)CC2)S1 96443744 XLYWIJWHTXTMFW-LLVKDONJSA-N 334.445 1.803 0 40 EDAB CC(C)[C@@H](O)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 585118907 HRGDGJSXJARCCO-RZYZSWTKSA-N 334.416 1.763 0 40 EDAB NS(=O)(=O)N1CCC[C@H](c2nc(-c3cccc(Cl)c3)no2)C1 585133261 CRNVZJWUMWHMNT-JTQLQIEISA-N 342.808 1.773 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1 585129449 JXDFAGABGALTRF-IJLUTSLNSA-N 328.438 1.092 0 40 EDAB CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)NCc1ccn(C)c1 585137907 ZVSJJPHMIDHXBI-INIZCTEOSA-N 334.464 1.810 0 40 EDAB C[C@]1(c2ccccc2)CN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CCO1 585132109 OJXCZARTTPYTQF-ZIFCJYIRSA-N 330.428 1.624 0 40 EDAB C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)[C@H]1CN(C)CCN1C 585125792 FXYLIAWERCWEBP-GZMMTYOYSA-N 333.329 1.607 0 40 EDAB COC[C@H](O)CN(C)Cc1cc2c(cc1Br)OCCO2 50118038 OESAWOKOLRYRSU-LLVKDONJSA-N 346.221 1.659 0 40 EDAB COc1cccc(NC(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NC(C)C)C2)c1 96252874 VQEVZAKNLNJJCQ-OWCLPIDISA-N 347.415 1.841 0 40 EDAB Cc1noc(CN(C)[C@@H](C(N)=O)c2cccc(Br)c2)n1 93331774 PADPBYFHZDTVIP-GFCCVEGCSA-N 339.193 1.799 0 40 EDAB C[C@H]1CO[C@H](CO)CN1C(=O)C1(C)CCN(Cc2ccccc2)CC1 97103160 VNWLDTMLQDKNND-WMZOPIPTSA-N 346.471 1.897 0 40 EDAB COC[C@@H]1CCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)C1 96437286 RYTAOGPYUNTFCO-MSOLQXFVSA-N 332.444 1.772 0 40 EDAB CN(CCNC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 96454997 RLRHATKJNARWMY-QGZVFWFLSA-N 346.475 1.487 0 40 EDAB CN1CCN(Cc2cnc3n2CCN(Cc2ccc(F)cc2)C3)CC1 96201082 XXJCKQAGNNMJKJ-UHFFFAOYSA-N 343.450 1.785 0 40 EDAB Cc1cccc(CCC(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)c1 581929017 VEDSKTWJPOJRMS-CVEARBPZSA-N 337.441 1.342 0 40 EDAB Cn1nccc1C(=O)N1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1 96207753 NLUIPSHQDJCVHZ-PXAZEXFGSA-N 343.387 1.012 0 40 EDAB O=C(/C=C/c1ccc(Cl)cc1)N[C@H]1CCN(C[C@@H]2CNC(=O)O2)C1 585087838 WNYFJSAVKFUSOZ-CFBOXQHNSA-N 349.818 1.652 0 40 EDAB COc1cc(N2CC3(C2)OCC[C@@H]3COc2ccccn2)ncn1 247877550 HPLRNIDWVLXKJV-CYBMUJFWSA-N 328.372 1.555 0 40 EDAB O=C(c1cccc(O)n1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257274899 NNCVCHNZLXARAC-OAHLLOKOSA-N 341.358 1.095 0 40 EDAB CCc1nnsc1C(=O)N1CCC[C@@H]1c1cncc(CN(C)C)n1 257270608 MUWWJTQYQPPAEN-CQSZACIVSA-N 346.460 1.929 0 40 EDAB CCCc1nnsc1C(=O)NC[C@@H](O)c1ccc2c(c1)OCCO2 253473250 TVDGXJXHULXOQT-GFCCVEGCSA-N 349.412 1.725 0 40 EDAB Cc1ccnc([C@@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1 257257585 KQHCKJRDCLPNKW-INIZCTEOSA-N 343.431 1.979 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(CC3CCOCC3)CCN2C)c1 257299968 RSIWFUORFBSUNF-GOSISDBHSA-N 331.460 1.761 0 40 EDAB CN(C(=O)CCc1cccnc1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257302280 SCHICDKEBDFWGB-ZHALLVOQSA-N 347.459 1.087 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)c2cccc3ncccc23)CCO1 257309933 UCYFSHWBMKCUPI-OAHLLOKOSA-N 335.367 1.821 0 40 EDAB CCCc1nnsc1C(=O)NCc1nnc2c(OCC)nccn12 253470812 AALKRYKMACYJSJ-UHFFFAOYSA-N 347.404 1.257 0 40 EDAB CO[C@H]1CN(C(=O)c2ccnc(N3CCCC3)c2)C[C@@]12CCCO2 257313818 UUFVINVGKJUSRR-YJBOKZPZSA-N 331.416 1.702 0 40 EDAB Cc1cnccc1CNC(=O)N1CCN(c2ncccc2F)CC1 275394951 QNXOBRPEOUZIDZ-UHFFFAOYSA-N 329.379 1.956 0 40 EDAB C[C@@H]1COCCN1C(=O)[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 1615587331 ZEAXOYVPYZJUAN-OCCSQVGLSA-N 342.436 1.242 0 40 EDAB COC(=O)c1sccc1NC(=O)CN1CC[C@@](C)(N(C)C)C1 1615589306 XGTGKOZVEGXEGE-OAHLLOKOSA-N 325.434 1.499 0 40 EDAB C[C@@H]1CN(c2nnnn2Cc2ccccc2Br)CCO1 1616036833 ZEKPACWJTISDTR-SNVBAGLBSA-N 338.209 1.709 0 40 EDAB CC[C@@]1(C)COCCN1C(=O)C1CCN(C(=O)N2CCCC2)CC1 390832983 ABRSHWGLRGMGRT-SFHVURJKSA-N 337.464 1.942 0 40 EDAB Cc1ccc(CN(CCCC(=O)O)[C@@H]2CCS(=O)(=O)C2)cc1 575421476 QPIJQFVTGSPBGD-OAHLLOKOSA-N 325.430 1.849 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1ccccc1F)C2 585103437 PAYBJJIGFBVYSR-CQSZACIVSA-N 327.421 1.851 0 40 EDAB COc1cccc(CN(C)C(=O)C[C@]2(CO)CCCN2C(C)=O)c1 585280994 RGUIOAXODOYEDG-SFHVURJKSA-N 334.416 1.417 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCn2cc(CC(=O)NCC3CC3)nc2[C@H]1C 585096620 WHITWNSUANDNHK-JMSVASOKSA-N 330.432 1.511 0 40 EDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N2CCC(c3ccncc3)CC2)[C@@H]1O 585280273 LJWUEACPKAKVGN-KURKYZTESA-N 345.443 1.405 0 40 EDAB CC(C)C[C@H](Nc1ccnc(C2CC2)n1)C(=O)N1CC[C@@H](N(C)C)C1 585142014 LTOWYURVJLKPQV-CVEARBPZSA-N 345.491 2.343 0 40 EDAB Cc1cccc(C2(CNC(=O)CN3C(=O)CN(C)C3=O)CCCC2)c1 71867363 CFNOYGXOORSEGV-UHFFFAOYSA-N 343.427 1.817 0 40 EDAB C[C@@H]1CCCCN1CCNC(=O)CCn1cnc2sccc2c1=O 46861061 UZAPIMJSGJAESY-CYBMUJFWSA-N 348.472 1.839 0 40 EDAB O=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCN(CCO)CC1 75572711 HMLVAUHTDZQOGQ-UHFFFAOYSA-N 334.807 1.276 0 40 EDAB COc1ccc(Cl)cc1NCCC(=O)N[C@H]1CCS(=O)(=O)C1 58194173 VHAJRJBOLTZOAD-NSHDSACASA-N 346.836 1.454 0 40 EDAB CN1CCO[C@@H](C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)C1 81484141 JEIWKNIYSOBAQI-ZWKOTPCHSA-N 331.460 1.298 0 40 EDAB COCc1cc(NC2CCS(=O)(=O)CC2)nc(C(C)(C)C)n1 1548451655 VQLHRERNYOKCEI-UHFFFAOYSA-N 327.450 1.910 0 40 EDAB COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)NC(N)=O)o1 8102992 LQCXYSVMRCBJOJ-NTMALXAHSA-N 339.307 1.835 0 40 EDAB Cc1cc(-c2cc(N)c(=O)n([C@@H](C)C(=O)N3CCOCC3)n2)c(C)o1 12183692 WBCDHKPQWDWOEZ-NSHDSACASA-N 346.387 1.122 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)O 13073602 XWJRRXZSBYMBOW-UHFFFAOYSA-N 349.364 1.900 0 40 EDAB O=C(N[C@H]1CCCc2nc(N3CCOCC3)ncc21)C1CCCC1 13265693 DYZCZGGPIMGDPX-HNNXBMFYSA-N 330.432 1.997 0 40 EDAB Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)c1ccccc1F 19286336 KPUUHMAJNFXTNN-NEPJUHHUSA-N 327.359 1.989 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)NCC(F)F)cn2)C1 19706060 VRJFKACPZRJVQN-LLVKDONJSA-N 347.387 1.216 0 40 EDAB O=S(=O)(CCc1ccccc1)N[C@@H]1CCN(c2nccs2)C1 206817359 GBEPNYZWSYYMDX-CQSZACIVSA-N 337.470 1.884 0 40 EDAB CN1C(=O)CCc2cc(C(=O)N3[C@H]4CC[C@H]3[C@@H](C(=O)O)C4)ccc21 563212524 UFKUBUCJIYVPJF-YDHLFZDLSA-N 328.368 1.673 0 40 EDAB CC(=O)O[C@@H]1C[C@H](C(C)(C)O)O[C@@H]2CC[C@](C)(O)[C@H](C(=O)O)[C@]12C 252516248 QRCCFDIDLFCYHO-VXIFJJJUSA-N 344.404 1.098 0 40 EDAB biogenic,in-vitro COc1nc(CNC(=O)c2cc(C3CC3)on2)nc(N2CCCC2)n1 575603233 BARVWJWIVJJQRD-UHFFFAOYSA-N 344.375 1.276 0 40 EDAB C[C@H](C(=O)Nc1ncccc1O)n1nc(C(F)(F)F)ccc1=O 1888913471 YJVQKKLYEHJOQJ-SSDOTTSWSA-N 328.250 1.562 0 40 EDAB Cn1cccc(C(=O)NC[C@@](O)(c2ccoc2)c2cccs2)c1=O 238911110 SEYDBAJJFKUOOY-QGZVFWFLSA-N 344.392 1.706 0 40 EDAB CO[C@H]1[C@H](CNC(=O)c2cc3c(C)cccc3[nH]2)COC[C@H]1OC 2037961641 NWKSHKOQKGAXLA-JLZZUVOBSA-N 332.400 1.883 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@@H]2NC(=O)c1ccncc1OC 1565555830 QLNXVPTYTCUHGE-ZDUSSCGKSA-N 342.399 1.596 0 40 EDAB O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1ccc(C(=O)O)cc1 10434154 CGCUPWHBAPAKKS-CYBMUJFWSA-N 332.312 1.549 0 40 EDAB O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc(=O)[nH]c1 38679580 RZLRHTVXSSKERH-MNOVXSKESA-N 335.385 1.111 0 40 EDAB O=C(NC[C@@H](O)c1cccs1)C(=O)Nc1ccc(F)cc1F 75156015 CVZBKFMBYXGQQE-LLVKDONJSA-N 326.324 1.815 0 40 EDAB CCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(OC)cc1C 40158355 NLVGXYROEVQQMU-UHFFFAOYSA-N 329.418 1.966 0 40 EDAB O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 30210098 OQOLOEYXPHQDJX-CMDGGOBGSA-N 349.456 1.185 0 40 EDAB Cc1ccc(NC(=O)C[C@@H]2SC(NC(=N)N)=NC2=O)cc1Cl 20028239 BLXPOCRBUDDVAQ-VIFPVBQESA-N 339.808 1.458 0 40 EDAB c1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)cc1 20149645 HQMLWERCNASPRE-UHFFFAOYSA-N 338.415 1.950 0 40 EDAB O=C(NCCc1ccccc1)NCc1cccnc1N1CCOCC1 31042192 ZJIPIMXXAWAPMJ-UHFFFAOYSA-N 340.427 1.960 0 40 EDAB C1CO[C@H](CNc2nnc(SCCN3CCOCC3)s2)C1 40473931 AKKPEVKZEQYNPL-NSHDSACASA-N 330.479 1.553 0 40 EDAB CC(C)c1noc(CS(=O)(=O)[C@@H](C)C(=O)NC2CCCC2)n1 40528696 QKZPCHPWOKFLKE-JTQLQIEISA-N 329.422 1.555 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)c2cc(C3CC3)[nH]n2)c1 40514148 QKHJVAIVYHLOLH-OAHLLOKOSA-N 331.372 1.768 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H]2CCCCNC2=O)ccc1OC(C)C 40527136 VERHDDDYNBXUOR-CQSZACIVSA-N 340.445 1.729 0 40 EDAB C[C@H]1CCCN(CCNC(=O)CCn2nnc3ccccc3c2=O)C1 40534287 LGNNMBONTUWJLB-AWEZNQCLSA-N 343.431 1.030 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCN(C(C)C)CC2)cc1OC 40501190 WKJXCYOHNXMUTB-UHFFFAOYSA-N 342.461 1.727 0 40 EDAB O=C(CN1CCCSc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 32511258 VQCPAEAHGDITCT-GFCCVEGCSA-N 340.470 1.292 0 40 EDAB O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCCCC2)cc1 32831618 GABOCHVIUCDURK-BBRMVZONSA-N 334.441 1.827 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2cc(Cl)nc3ccccc23)CC1 32908385 FXXQWHKCGWQEKK-UHFFFAOYSA-N 346.818 1.568 0 40 EDAB O=S(=O)(NCCc1cc(F)cc2c1OCOC2)N1CCCCC1 41629922 UATPXTLJFCTSPJ-UHFFFAOYSA-N 344.408 1.555 0 40 EDAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C(N)=O)C2)c(OC)c1 42042139 SZALKCBUQJSZIH-RYUDHWBXSA-N 335.404 1.672 0 40 EDAB CCc1nc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cs1 77614329 NNXULSBECNDZDQ-XJKSGUPXSA-N 344.440 1.936 0 40 EDAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1=COCCO1 23013726 FJPKLXMTTHIOOH-UHFFFAOYSA-N 348.355 1.133 0 40 EDAB NC(=O)NC(=O)CCSc1nncn1CCc1cccs1 23198320 UXFHOWGJIPXTLM-UHFFFAOYSA-N 325.419 1.259 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)CC1 104617207 PTSYEASAIZWFBC-ZQDZILKHSA-N 337.489 1.373 0 40 EDAB COC(=O)c1nnn(CC(=O)c2ccc(C)cc2C)c1C(=O)OC 98211148 ABLUVVAFLCVKCL-UHFFFAOYSA-N 331.328 1.351 0 40 EDAB Cn1ncc2c(=O)[nH]c(CN3CCO[C@H](c4ccc(F)cc4)C3)nc21 54418119 FQLVYLJNYMRUGN-AWEZNQCLSA-N 343.362 1.369 0 40 EDAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccccn2)C1=O 23746408 FELGXVNSVXTRHU-KRWDZBQOSA-N 342.330 1.626 0 40 EDAB O=C(O[C@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)c1ccco1)c1ccco1 4023737 BAJKIUQBKWDDJS-KPWCQOOUSA-N 334.280 1.421 0 40 EDAB CC(C)CN(CC(N)=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 47718816 RJJQOXSKVRKYJW-UHFFFAOYSA-N 343.449 1.007 0 40 EDAB Cc1cc(C(=O)O[C@H](C)C(=O)NC(N)=O)c(C)n1Cc1ccccc1 7575199 QJNHKJMUDFBYRA-CYBMUJFWSA-N 343.383 1.893 0 40 EDAB Cc1csc(=O)n1CC(=O)OCN1C(=O)c2ccccc2C1=O 7984075 FEBRWNKCMUSABZ-UHFFFAOYSA-N 332.337 1.015 0 40 EDAB Cc1cc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)nn1Cc1ccccc1 102016537 SKVLQVXVOFRSCK-NXNVCVFFSA-N 337.379 1.907 0 40 EDAB CNC(=O)C1(NC(=O)CCS(=O)(=O)C2CCCC2)CCCCC1 55445891 HMJNKWRGXMTWMN-UHFFFAOYSA-N 344.477 1.299 0 40 EDAB CCOC(=O)N[C@@H](C(=O)Nc1ccn(-c2ccncc2)n1)C(C)C 72877593 METXJAPJGNAKQS-CQSZACIVSA-N 331.376 1.977 0 40 EDAB C[C@H](C(=O)NC1CC1)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 8315846 JNVIVGPVIWLEBN-ADLMAVQZSA-N 327.384 1.437 0 40 EDAB CC(C)CNC(=O)CN1CCCC[C@@H]1c1nc(-c2ncccn2)no1 95394263 LIQHDXWGKJOCJQ-CYBMUJFWSA-N 344.419 1.826 0 40 EDAB O=C(c1csnn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 56125492 RXIKDHCVNDSDOW-UHFFFAOYSA-N 343.334 1.914 0 40 EDAB O=C(NC[C@H]1CCCO1)C1CCN(Cn2ncsc2=S)CC1 26661319 NKEJZDLTVJNFMK-GFCCVEGCSA-N 342.490 1.639 0 40 EDAB Cc1oc(CO)cc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 12684480 DHZSVIOSTYHNJX-UHFFFAOYSA-N 332.308 1.891 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)NC[C@@H]3CCOC3)cn2)CC1 44954443 WYQHGKYOHCBHPN-INIZCTEOSA-N 347.463 1.059 0 40 EDAB O=C(NCCN1CCCCC1)c1ccc(=O)n(Cc2ccccc2)n1 44940149 QJGXBDHGIIJCKL-UHFFFAOYSA-N 340.427 1.507 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)c(F)c1 44911800 IXMLDUKMMBQBHU-ZDUSSCGKSA-N 330.363 1.500 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)NC[C@@H](O)CN1CCCCC1 44954785 JRFYKZIXGZXSOM-OAHLLOKOSA-N 349.431 1.104 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)CC[C@H]3CCCO3)cn2)CC1 48251573 VLFBOEJHRPZYSF-QGZVFWFLSA-N 346.475 1.799 0 40 EDAB CC[C@H](O)CN(CC(=O)N(C)CC(=O)NC(C)(C)C)c1ccccc1 58341330 OGNRGSCCJJAFNZ-INIZCTEOSA-N 349.475 1.637 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 48230596 FUIVRBYGCGEVLS-ZDUSSCGKSA-N 328.372 1.606 0 40 EDAB C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1cccc(Br)c1 58406367 AQCASESYHLEYCB-XCBNKYQSSA-N 340.177 1.224 0 40 EDAB CCN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)C1=O 95961675 DLLPZTPTKXTWCS-SJKOYZFVSA-N 347.419 1.489 0 40 EDAB COC(=O)c1cc(/C=C/C(=O)NCc2nnc3ccccn23)oc1C 12782245 GKAXGPBRJHZIGQ-VOTSOKGWSA-N 340.339 1.747 0 40 EDAB CCCN(CCC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 12753026 LJDGAAKEQPUMKT-UHFFFAOYSA-N 348.490 1.748 0 40 EDAB CN(C)c1nc(N)nc(CS(=O)(=O)Cc2cccc(Cl)c2)n1 45282779 KWXFHMNFOKYPGH-UHFFFAOYSA-N 341.824 1.288 0 40 EDAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21 2352354 RMRYSPOQYWILQE-UHFFFAOYSA-N 348.336 1.661 0 40 EDAB CCn1cc(S(=O)(=O)NC[C@H](C)Cn2nccc2C)c(C)n1 36614647 ZZGURFJLLNWWSN-NSHDSACASA-N 325.438 1.331 0 40 EDAB Cc1ccccc1NCCC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 29200577 WWYNFXDUAJJIDF-AWEZNQCLSA-N 339.461 1.337 0 40 EDAB CCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCN1CCOCC1 20573356 YTMAYQWAZDEHNQ-KRWDZBQOSA-N 331.416 1.105 0 40 EDAB Cc1ccc(C)c(OCC(=O)N2CCN(c3ncccn3)CC2)c1 2663345 COGJDPZFFIQFTO-UHFFFAOYSA-N 326.400 1.821 0 40 EDAB CCOc1cccc2c1OCC(C(=O)NC[C@@H](C)N1CCOCC1)=C2 46745401 TYOVCCSYKSRAIY-CQSZACIVSA-N 346.427 1.698 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)c1nncn1C 46964491 BDEFUSVVPWEJPR-NSHDSACASA-N 331.376 1.837 0 40 EDAB C=CCc1ccccc1OC[C@H](O)Cn1cnc2ncccc2c1=O 12821090 JLLGNINRRCIDJT-OAHLLOKOSA-N 337.379 1.960 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NC1CCN(c2ncccn2)CC1 48761720 BDHOQUTYDJHYQA-CYBMUJFWSA-N 329.408 1.030 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2nccs2)[C@H](C)C1 95351827 SXPRWHKENFHTPY-LLVKDONJSA-N 348.476 1.643 0 40 EDAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCCO2 13263215 FZSONZPSNUAVQS-LBPRGKRZSA-N 341.385 1.476 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1 13259882 FHWJAALIDHFENY-HNNXBMFYSA-N 347.392 1.516 0 40 EDAB CC(C)(C)OC(=O)NC(C)(C)C(=O)NCC(=O)Nc1nccs1 63658346 MQINNLQVQJBXTA-UHFFFAOYSA-N 342.421 1.501 0 40 EDAB COC(=O)[C@@]1(O)CC(C)=NN1c1nc(-c2cccc(O)c2)cs1 5274422 ZCQQKRBGOQSUQO-HNNXBMFYSA-N 333.369 1.963 0 40 EDAB Cn1c(=O)n(CC(=O)Nc2ccc(CCO)cc2)c2ccccc21 65490690 ORPRLZHWCPTIOO-UHFFFAOYSA-N 325.368 1.514 0 40 EDAB ClC(Cl)(Cl)c1nn2c(CN3CCOCC3)nnc2s1 61722153 GZPIPVJSNJFNTK-UHFFFAOYSA-N 342.639 1.845 0 40 EDAB c1ccc(N2CCOCC2)c(CN2CCN(Cc3ccon3)CC2)c1 93561126 OYTYPWSHINGCSI-UHFFFAOYSA-N 342.443 1.829 0 40 EDAB COc1ccc([C@H]2CCCN2Cc2nc(N)nc(N)n2)c(OC)c1 6590416 ARMLYMXUHJOEQR-GFCCVEGCSA-N 330.392 1.390 0 40 EDAB C[C@H]1CCc2ccccc2N1C(=O)COC(=O)c1ccc[nH]c1=O 9499176 KILAXHXUXIRTFR-LBPRGKRZSA-N 326.352 1.900 0 40 EDAB COC(=O)[C@](C)(c1ccccn1)N(C)CC(=O)N1CCC[C@H](C)C1 95459811 DSQVOXSZQYIECU-KSSFIOAISA-N 333.432 1.660 0 40 EDAB COCC(=O)N1CCN(C(=O)NCC(C)(C)c2ccc(C)cc2)CC1 71799677 ACUQUOZJFWNOST-UHFFFAOYSA-N 347.459 1.773 0 40 EDAB COc1ccc(C)cc1[C@H](C)NC(=O)NCCCN1C(=O)CCC1=O 71879659 FCPUAVYQEWKZNW-ZDUSSCGKSA-N 347.415 1.903 0 40 EDAB C[C@@H](NCC1CCN(CCO)CC1)C(=O)NC1CCCCCC1 71870943 QGHALACMAIXJLY-OAHLLOKOSA-N 325.497 1.508 0 40 EDAB O=C(NCCNc1ncccn1)[C@@H]1CCCCN1Cc1cccnc1 71893294 BGYMCHVGBLIVMI-INIZCTEOSA-N 340.431 1.454 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cccnc2N2CCCCC2)CC1 71871249 FAUYIKZQIOCLNL-OAHLLOKOSA-N 332.448 1.211 0 40 EDAB CC(C)CN(CCN(C)C)C(=O)COc1ccc(CC(N)=O)cc1 71853853 CQNJKBKPPKKERE-UHFFFAOYSA-N 335.448 1.139 0 40 EDAB O=C(C1CC1)N1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 16695259 TXCXGOJZHUSYLH-UHFFFAOYSA-N 330.363 1.930 0 40 EDAB CC(C)C[C@@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(F)cc2)C1=O 71855249 IUBQDZGUZWLADX-CXAGYDPISA-N 338.379 1.922 0 40 EDAB Cc1ccc(NC(=O)NCCS(=O)(=O)NCC2CCC2)cc1 69032119 VJZIQBWHXQOYNG-UHFFFAOYSA-N 325.434 1.836 0 40 EDAB O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@@H](N2CCNC2=O)C1 71841731 RZHFAKAYRJUMTR-OAHLLOKOSA-N 329.400 1.180 0 40 EDAB COc1ccnc(N2CCN(C[C@@H](O)c3cccc(F)c3)CC2)n1 71824798 QOYJMHNLSVTYDM-OAHLLOKOSA-N 332.379 1.480 0 40 EDAB CCCN(CC(=O)NC)C(=O)[C@H](c1ccccc1)N1CCSCC1 69349700 ASKMKGJHGGHQDA-KRWDZBQOSA-N 349.500 1.761 0 40 EDAB Cc1ccc(CN2CCC(CNC(=O)Cn3cncn3)CC2)cc1 69453916 WHZNYLNWRIWHSF-UHFFFAOYSA-N 327.432 1.615 0 40 EDAB COc1cc(C(=O)NCCCN2CCC[C@@H]2C(N)=O)cc(OC)c1C 69582519 GEZDHBZSVJQKSJ-CQSZACIVSA-N 349.431 1.082 0 40 EDAB Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)Cn1cnnn1 69538435 SFKOXJXLEYSKAP-UHFFFAOYSA-N 349.807 1.850 0 40 EDAB O=C(CCNC(=O)c1n[nH]c2ccccc12)Nc1nnc2ccccn12 69514698 RJOOYVXAFMJTBL-UHFFFAOYSA-N 349.354 1.364 0 40 EDAB CCc1[nH]ncc1C(=O)N(CC)CC(=O)NCc1ccc(F)cc1 69507890 MWROGMHINGWPGB-UHFFFAOYSA-N 332.379 1.890 0 40 EDAB CCOC(=O)[C@@H](CC)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 71924069 OFQIZFKCVQJGDK-JKSUJKDBSA-N 339.480 1.347 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3nnc(C4CC4)n3C)C2)n1 69699373 IRHSMWHKSSMEKR-CQSZACIVSA-N 329.452 1.813 0 40 EDAB Cc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)cn1 69618378 PYZCCPFHCIFCIS-UHFFFAOYSA-N 340.339 1.090 0 40 EDAB COCCn1c(SCc2nc(N)nc(N)n2)nc2ccccc21 17656276 IBRXCRNCMJCIPB-UHFFFAOYSA-N 331.405 1.324 0 40 EDAB CN(C(=O)CN[C@@H]1CCc2ncnn2C1)[C@H]1CCCc2ccccc21 69740420 PCIQUXZGHBXERC-WBVHZDCISA-N 339.443 1.719 0 40 EDAB CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 69849176 VWOHPIGWXGKBPR-CMPLNLGQSA-N 348.838 1.821 0 40 EDAB Cc1cc(C)n(CC(=O)N(C[C@@H]2CN(C)CCO2)c2nccs2)n1 95402105 IGANUNMPALGNEX-AWEZNQCLSA-N 349.460 1.320 0 40 EDAB COCCN(C(=O)c1cnc(-c2ccccc2)nc1)[C@@H](C)C(N)=O 69973216 GIPGTRZISOJMPI-LBPRGKRZSA-N 328.372 1.106 0 40 EDAB CC(C)CCNc1nc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cs1 8777662 OJXNDIUMWJWINP-QMMMGPOBSA-N 328.394 1.341 0 40 EDAB O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCc2c(nc[nH]c2=O)C1 72133215 HULGHOMTUKBAJO-UHFFFAOYSA-N 337.339 1.064 0 40 EDAB O=S(=O)(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cncc(F)c1 95972870 QVEHQIZXSOKPST-CYBMUJFWSA-N 349.387 1.584 0 40 EDAB CCN(CCO)C(=O)[C@@H](C(=O)c1ccccc1)n1ccccc1=O 9850373 VWAALXKCNOZMFW-MRXNPFEDSA-N 328.368 1.113 0 40 EDAB NC(=O)c1cccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c1 97015659 QNWVFPMXMFLTGZ-AWEZNQCLSA-N 347.396 1.023 0 40 EDAB Cc1n[nH]c([C@H](NC(=O)c2cnc3sccn3c2=O)C(C)C)n1 97010315 BECDBOFHIXFPJV-SNVBAGLBSA-N 332.389 1.310 0 40 EDAB COC(=O)[C@@H]1CN(Cc2cn(C)nc2-c2cccs2)C[C@@H](C)O1 97034010 ZXWKTQMUYBKGNQ-YPMHNXCESA-N 335.429 1.911 0 40 EDAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)n1C 72294073 LAQKHVSEEFLDCA-NVXWUHKLSA-N 326.400 1.564 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@H](n3cncn3)C2)c2ccccc2N1 72272166 AYJDKJCJNFYHCA-GXTWGEPZSA-N 325.372 1.568 0 40 EDAB NC(=O)[C@H](c1ccc(Br)cc1F)N1CCS(=O)CC1 72296410 UHCVSBQKEUWKGV-NSHDSACASA-N 349.225 1.179 0 40 EDAB O=C(CCNC(=O)c1[nH]nc2c1CCCC2)NCc1ccccn1 97109033 VEVKRQGQSMERIU-UHFFFAOYSA-N 327.388 1.120 0 40 EDAB CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@@H]1c1ccco1 84456526 PSAJLACHMJKKKO-OCCSQVGLSA-N 341.433 1.118 0 40 EDAB C[C@H](NC(=O)Nc1cnn(Cc2ccccn2)c1)C(=O)NC(C)(C)C 75146683 FTDPVVWWARAUJU-LBPRGKRZSA-N 344.419 1.751 0 40 EDAB CCOCCN1CCN([C@@H](C)C(=O)NCC2CCCCC2)CC1 75129480 MTNYIBPBMJYUSG-INIZCTEOSA-N 325.497 1.726 0 40 EDAB CN1CCCN(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)CC1 89761365 WJMOUXMYVUXELU-INIZCTEOSA-N 345.422 1.996 0 40 EDAB CCc1nsc(N2CCCN(CC(=O)N(C)CC3CC3)CC2)n1 76185020 XJDWPHZONHSONK-UHFFFAOYSA-N 337.493 1.481 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 30858726 OKQRMNDHUSAFIR-UHFFFAOYSA-N 331.376 1.125 0 40 EDAB COc1ccccc1N(CCCC(=O)NC(C)C)S(C)(=O)=O 113967994 PKWWDHAOKBBUMH-UHFFFAOYSA-N 328.434 1.766 0 40 EDAB O=C(NC1CC1)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 33251867 HQQXVKAWUZXAGU-CQSZACIVSA-N 326.393 1.648 0 40 EDAB O=C1[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccccc1F 409305014 MMSYFOYTQXYIRP-KOFHJDLBSA-N 331.299 1.012 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(CC)CC)cc1C 39986473 LGFHRSOWLUVQNB-UHFFFAOYSA-N 342.461 1.883 0 40 EDAB Cc1ccc(CNC(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 32869842 ZICKJHGGEKIIGP-UHFFFAOYSA-N 339.442 1.703 0 40 EDAB Cc1nn(C(F)F)cc1S(=O)(=O)NC[C@H](C)Cn1cccn1 36615034 LHPUFZAWSIGWHO-VIFPVBQESA-N 333.364 1.398 0 40 EDAB Cn1nc(C(=O)N2CC3(CCOCC3)CC[C@H]2CO)c2ccccc21 1548441496 QPIDNSJMFSHJCJ-AWEZNQCLSA-N 343.427 1.967 0 40 EDAB COc1cc([C@H]2CC(=O)Nc3c2cnn3C)c(OC)c2c1OCO2 66091717 LSHNOCPQPBVPAW-MRVPVSSYSA-N 331.328 1.640 0 40 EDAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCOC 217420033 XTBPEAFZDJSIDS-UHFFFAOYSA-N 330.406 1.522 0 40 EDAB Cc1cc(Nc2ncccn2)nc([C@H]2CCCCN2CC(N)=O)n1 72383573 PMVYRTAVZHWKKC-GFCCVEGCSA-N 327.392 1.331 0 40 EDAB CC(C)c1nccn1CCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 74034378 CHIBLMOFVKOJTH-LSDHHAIUSA-N 332.448 1.723 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 31241486 JGTDKGWXJDPEAT-CYBMUJFWSA-N 347.392 1.660 0 40 EDAB C[C@@H]1CCCN(c2ncccc2C(=O)NCCN2CCOCC2)C1 36740107 SXBAZMBNSAXYFJ-OAHLLOKOSA-N 332.448 1.380 0 40 EDAB CCCCC(=O)Nc1ccc([C@H]2OCC(=O)N(CCN)[C@@H]2CO)cc1 72321378 YZVFGLQPLLTFBQ-CRAIPNDOSA-N 349.431 1.035 0 40 EDAB biogenic,in-vitro CCn1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)n1 72237853 ZUPOSBOJGFHJNS-CVEARBPZSA-N 328.372 1.440 0 40 EDAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCCn1nc(C)cc1C)O2 40779465 ADBFXJWPLMFBJO-GOSISDBHSA-N 342.399 1.714 0 40 EDAB CSCC[C@](C)(O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 75157564 ATRXUKRGJWXZDX-AWEZNQCLSA-N 331.459 1.672 0 40 EDAB Cc1nc(C)c(C(=O)NCc2ccnc(N3CCOCC3)n2)s1 224217808 ODEAYYDHXZABFY-UHFFFAOYSA-N 333.417 1.317 0 40 EDAB O=C(NCc1ccnc(N2CCCC2)c1)[C@H]1CCc2[nH]cnc2C1 225512515 ORXVBABOFFEATG-AWEZNQCLSA-N 325.416 1.826 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CC[C@@H](Oc3ccccn3)C2)ccn1 528838545 GLSYZHKLKVPNEB-CQSZACIVSA-N 326.356 1.729 0 40 EDAB O=C(NCc1cccnc1N1CCOCC1)[C@@H]1CCc2[nH]cnc2C1 225512088 BWXSKJJXQDAFGH-CYBMUJFWSA-N 341.415 1.063 0 40 EDAB O=C(N[C@H](CO)C(=O)NCc1ccccc1)OCc1ccccc1 82168040 UXFRXMOGXOINIH-MRXNPFEDSA-N 328.368 1.590 0 40 EDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCC2=CCCCC2)s1 225101655 YXADVTDMSOOLEZ-UHFFFAOYSA-N 344.462 1.911 0 40 EDAB O=C(NC1CCC1)[C@@H]1C[C@H]2OCCN(C(=O)c3ccccn3)[C@@H]2C1 96251684 YKCOFILFPCDXQI-APHBMKBZSA-N 329.400 1.370 0 40 EDAB Cn1nnc2c1CCN(C(=O)c1cccnc1)[C@H]2COCC1CC1 96045276 OIINLJIUSJBKBA-HNNXBMFYSA-N 327.388 1.376 0 40 EDAB O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCOC1 96445587 CJURJSYCIYMJAZ-KRWDZBQOSA-N 330.428 1.620 0 40 EDAB C[C@H](c1nnnn1-c1ccccc1)N1CCC(Cn2ccnn2)CC1 96483877 SBDVPFCIZSRAIQ-CQSZACIVSA-N 338.419 1.727 0 40 EDAB CN(C)c1ncnc2c1CCN(C(=O)NCc1cccnc1)CC2 96255407 RMALKDSPJYTWJG-UHFFFAOYSA-N 326.404 1.248 0 40 EDAB Cc1nnc(N2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@@H]3C2)s1 97953532 FEJRUHXQKGSCEW-BNOWGMLFSA-N 348.428 1.455 0 40 EDAB CC[C@H]1c2ccsc2CCN1C(=O)Cn1nc(CO)c(=O)cc1C 330117856 XOIXADFHYRBVDD-AWEZNQCLSA-N 347.440 1.642 0 40 EDAB C[C@H](NC(=O)CNS(C)(=O)=O)c1ccc(F)c(C(F)(F)F)c1 95436503 JFDGOIJVHYDJSV-ZETCQYMHSA-N 342.314 1.571 0 40 EDAB CCc1nnc2n1C[C@@H](NCc1ccc(-n3cncn3)c(F)c1)CC2 97199593 UAZNOTHDXRMVKV-ZDUSSCGKSA-N 341.394 1.665 0 40 EDAB O=C(NCC1CCOCC1)[C@H]1CO[C@@H]2CN(Cc3ccccc3)C[C@@H]21 96216809 KLYJFVJDVDNAAO-CEXWTWQISA-N 344.455 1.676 0 40 EDAB C/C=C/Cn1c(NCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C 96306376 FXWOHLRMMFGGEP-SNAWJCMRSA-N 339.399 1.920 0 40 EDAB COCCN1c2ccccc2[C@@H]2CN(S(=O)(=O)C3CC3)CC[C@@H]21 96251745 KZGXHFBDSLZZHN-RDJZCZTQSA-N 336.457 1.803 0 40 EDAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2S(=O)(=O)c1cccc(F)c1 96041449 DGZSCSAJBOPANG-RRFJBIMHSA-N 329.393 1.783 0 40 EDAB CN(C)C[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1 96188238 CIXUVXZXFZORTE-CQSZACIVSA-N 334.445 1.265 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cncnc2-n2cccn2)c(F)c1 97379401 JHGGFHOKYIGJTG-UHFFFAOYSA-N 333.348 1.911 0 40 EDAB CC1=N[C@@]2(CC[C@@H]3CN(C(=O)NC(C)C)C[C@@H]32)C(=O)N1CC1CC1 96261490 JQCFFFQTSOHVSK-RVKKMQEKSA-N 332.448 1.856 0 40 EDAB CC(=O)N1C[C@@H](NS(=O)(=O)CC2CC2)CC[C@H]1C(F)(F)F 583616405 NWOWZRRLDGJVHJ-QWRGUYRKSA-N 328.356 1.258 0 40 EDAB Cc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C)on3)OCC(=O)N2C)cc1 96181547 DXSBVYGOAMODKP-CVEARBPZSA-N 329.356 1.828 0 40 EDAB O=C([C@H]1CN(CC2CCCCC2)Cc2cncn21)N1CCOCC1 247853262 JLZNAVPBNKQAER-QGZVFWFLSA-N 332.448 1.679 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccc(C)o3)C2)OC1 248130674 YKGFZPVSHDPGDF-AWEZNQCLSA-N 342.461 1.508 0 40 EDAB Cc1cccc(CN2C[C@H]3CCN(c4cnn(C)c4)C(=O)[C@H]3C2)n1 248146556 SBLOFDLAPSCSAR-PBHICJAKSA-N 325.416 1.608 0 40 EDAB CN(C)C(=O)COCC[C@@H]1CN(Cc2ccoc2)Cc2ccnn21 247956016 CVXZVXDZXSNFDV-MRXNPFEDSA-N 332.404 1.528 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)c3ccnc(N4CCCC4)c3)CCO2)n1 257205402 AYWFFAIFUDCXHN-OAHLLOKOSA-N 341.415 1.927 0 40 EDAB O=C(N[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O)c1ccnc(N2CCCC2)c1 257342119 ZNDVCUYLVQQLPO-BFYDXBDKSA-N 341.415 1.373 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)COc2ccccc2F)CCO1 257227680 FQKMQXPYTPGNJQ-ZDUSSCGKSA-N 332.335 1.177 0 40 EDAB O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)NCC(F)(F)F 69625320 BNABGDMONDTZCL-CQSZACIVSA-N 345.365 1.016 0 40 EDAB O=C(C[C@]1(O)CCCN(Cc2ccccc2)C1)NO[C@H]1CCCCO1 585088647 SZXTWYATCFJVLL-RBUKOAKNSA-N 348.443 1.978 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CC[C@@H](c3nc(C)cn3C)C2)ccn1 257236620 HCZQIXMKGKDWFP-CQSZACIVSA-N 327.388 1.712 0 40 EDAB Nc1n[nH]c2nc([C@H]3CCCN(C(=O)C4CCNCC4)C3)ccc12 257287780 PRMRIOQWELGKCL-LBPRGKRZSA-N 328.420 1.246 0 40 EDAB CO[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C[C@@]12CCCO2 257210261 BTVQCTGZLHYLLL-GJZGRUSLSA-N 329.393 1.784 0 40 EDAB COCC(=O)N1CCC[C@](C)(c2cn3cccc3c(N(C)C)n2)C1 257244108 IJWLIQXZAYXASO-SFHVURJKSA-N 330.432 1.927 0 40 EDAB Cc1ccc(C(=O)N[C@@H](C(=O)N[C@H]2C[C@@H](C(=O)O)C2)C(C)C)cc1 263171362 FYWASLKSFNUZBS-QLFBSQMISA-N 332.400 1.729 0 40 EDAB COc1cc(Cl)c(S(=O)(=O)N(C)[C@H](C)C(=O)O)cc1OC 262850661 JZIAZOMXFQIPNJ-SSDOTTSWSA-N 337.781 1.451 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2nc(C)cc(C)n2)C1 263689311 GSTXMXZUVLJVOT-CQSZACIVSA-N 334.420 1.331 0 40 EDAB Cc1noc(CN2C[C@@H]3CN(C(=O)[C@H]4CC45CCC5)C[C@]3(C)C2)n1 1092054239 PEFQQEZRDGFNRX-CPUCHLNUSA-N 330.432 1.849 0 40 EDAB Cc1ccccc1-c1nc(C)c(CNC(=O)Cn2cnnn2)s1 96024537 YNQIDELJJPLSIT-UHFFFAOYSA-N 328.401 1.730 0 40 EDAB Cn1c(N2CCC([C@@H]3OCC[C@H]3C(N)=O)CC2)nc2c(F)cccc21 1614849926 XJDXWXWXPUYAIP-WBMJQRKESA-N 346.406 1.819 0 40 EDAB CC(C)C(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)n2)C1 1615586852 PTFLTGYLVVRNDG-LBPRGKRZSA-N 343.424 1.394 0 40 EDAB COc1nc(CNC(=O)/C=C/c2ccccc2Cl)nc(N(C)C)n1 575608960 ZHEWIOSMOUQXGA-CMDGGOBGSA-N 347.806 1.929 0 40 EDAB CC(C)CCC(=O)N1CC2(C[C@@H](OCC(=O)N(C)C)CS2)C1 575403416 KGIPTNRMFANZJU-CYBMUJFWSA-N 328.478 1.614 0 40 EDAB O=C(CN1C(=O)CC[C@]12CCCN(CC1CC1)CC2)N1CCCC1 585100712 UOAWRLJVOCRUPH-IBGZPJMESA-N 333.476 1.866 0 40 EDAB Cc1cncc(C(=O)N2CC[C@H](O)[C@H](Cc3ccccc3F)C2)n1 585279245 YCIDKXFBNJHWEK-PBHICJAKSA-N 329.375 1.990 0 40 EDAB CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1)C1CC1 65553667 PLPISYGTEHJQLK-ZDUSSCGKSA-N 326.443 1.371 0 40 EDAB COCCCNC(=O)N[C@H](C)c1ccccc1NS(C)(=O)=O 69040256 AIQMJIITHHDBQZ-LLVKDONJSA-N 329.422 1.455 0 40 EDAB CCCOc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2C(=O)O)cc1 863959256 YWVVFHUDWWWELE-VXGBXAGGSA-N 327.358 1.001 0 40 EDAB NC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 69453766 GGYIVJNLJGGBCI-ZETCQYMHSA-N 340.298 1.340 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN1CCc2cncnc2C1 69538686 ZGKRKGIYAQBWAA-UHFFFAOYSA-N 338.411 1.823 0 40 EDAB C[C@@H](C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1)n1ccnc1 69514478 AYWVYEDQFGEHFN-LBPRGKRZSA-N 348.353 1.707 0 40 EDAB O=C(CCn1cc(Br)ccc1=O)Nc1c[nH]ccc1=O 72281791 VWUWJHNQDRUJRA-UHFFFAOYSA-N 338.161 1.328 0 40 EDAB CCc1nnc2n1C[C@H](CN[C@@H](C)C(=O)NCc1ccco1)CC2 72267491 HUMNNIZTXASWDQ-STQMWFEESA-N 331.420 1.290 0 40 EDAB O=S(=O)(NC1CCNCC1)c1ccc(F)cc1Br 37574252 PGBHRNJOZQTVDA-UHFFFAOYSA-N 337.214 1.619 0 40 EDAB CN(C)CCOc1ccccc1C(=O)N1CCC2(CC1)OCCO2 59003347 PYNIPWVTSOUCIN-UHFFFAOYSA-N 334.416 1.606 0 40 EDAB C[C@@H](CCNC(=O)c1cnnn1C)Nc1nc(C(C)(C)C)ns1 1099077586 PGYNTVCMXUWADO-VIFPVBQESA-N 337.453 1.585 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)ccc1F 96099707 HCIDLYVYSPGJDM-CQSZACIVSA-N 342.436 1.354 0 40 EDAB CC(C)[C@H](O)CCNS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007697 ZPIMIGQDBXWKLE-SNVBAGLBSA-N 326.340 1.786 0 40 EDAB CCS(=O)(=O)NC1CCN(C(=O)c2cc(C(C)=O)cs2)CC1 106742734 VBTVHXKYINRUAQ-UHFFFAOYSA-N 344.458 1.495 0 40 EDAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)nn1CCO 1615615560 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349.862 1.899 0 40 EDAB O=C([C@H]1CCCO1)N1CC(n2cc(COc3ccccc3)nn2)C1 225627400 AWAYIHPTETXHLF-MRXNPFEDSA-N 328.372 1.419 0 40 EDAB CC1=C(C(N)=O)[C@@H](c2ccccc2Cl)N2NC(CCCO)=NC2=N1 4294226 KJNPGVZTLWMMIG-CQSZACIVSA-N 347.806 1.501 0 40 EDAB CCNC(=O)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575605225 OMWGUUDLRCZOCV-JTQLQIEISA-N 329.198 1.812 0 40 EDAB COC[C@](C)(CNS(=O)(=O)Cc1noc2ccccc12)OC 575614030 ZKKYWTZLYYPKSW-AWEZNQCLSA-N 328.390 1.299 0 40 EDAB CC1(C)C[C@@H]1C(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 1888865781 YFRPDFDJQAFKAT-FRRDWIJNSA-N 326.404 1.065 0 40 EDAB Cn1ccnc(N2CCN(c3nsc4ccccc34)CC2)c1=O 1888897325 XOTGBOCRYHMHAN-UHFFFAOYSA-N 327.413 1.717 0 40 EDAB O=S(=O)(N[C@H]1CCCN(c2ncnc3sccc23)C1)C1CC1 1889119403 PEHBKQOREKJUAB-JTQLQIEISA-N 338.458 1.742 0 40 EDAB CC(C)N(C)CC(=O)N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1 1614928689 QHUKFQHDMZKXHS-MRXNPFEDSA-N 331.460 1.572 0 40 EDAB O=C(c1ccccc1)N1CCO[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]2C1 1146884669 YSIOGGPKPUVEGK-DLBZAZTESA-N 339.395 1.628 0 40 EDAB CN(C1CCN(c2nccn3nccc23)CC1)S(=O)(=O)C1CC1 2087143870 YZWBKHVQBAOMQF-UHFFFAOYSA-N 335.433 1.122 0 40 EDAB CC(C)N(C)CC(=O)N1CCc2c(c(COCC3CC3)nn2C)C1 1565556275 ASPKWVVWPUFTTM-UHFFFAOYSA-N 334.464 1.572 0 40 EDAB O=C(CS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 4303332 JIRRLANVTVHTFN-UHFFFAOYSA-N 344.436 1.809 0 40 EDAB Cn1cc(-c2ccc(CNS(=O)(=O)c3cccnc3)cn2)cn1 575617272 VJFUBOMVNORUIG-UHFFFAOYSA-N 329.385 1.356 0 40 EDAB CN(C)c1nc(CNC(=O)Nc2ccccc2F)nc(N(C)C)n1 575606682 KSRSSPPMUZACEP-UHFFFAOYSA-N 333.371 1.464 0 40 EDAB OC1(CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)CCCC1 2298171370 GXKOKKUMMGDPEU-UHFFFAOYSA-N 330.354 1.923 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 12089002 ZVRMPUDBLPLPRN-INIZCTEOSA-N 330.432 1.373 0 40 EDAB COc1ccc(CNC(=O)NC[C@@H](O)c2cccn2C)cc1OC 75155188 WBBBJNPEIYQATL-CQSZACIVSA-N 333.388 1.575 0 40 EDAB C[C@@H](NC(=O)NCCNc1ncccc1C(F)(F)F)C(=O)N(C)C 50145306 ULXGYRDBIGQBLI-SECBINFHSA-N 347.341 1.288 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)Cn3cccn3)CC2=O)c(F)c1 31402561 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CNC(=O)CNC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 103412447 UOLYYLIBJCPNMY-ASNHAOSHSA-N 343.265 1.973 0 40 EDAB O=C1CN(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)C(=O)N1 84502083 HTULGSMLCVXCQL-RKDXNWHRSA-N 327.262 1.392 0 40 EDAB FC(F)(F)c1nnc2sc(-c3ccc(-n4cnnn4)cc3)nn12 61720393 QIQHIYATRFREPL-UHFFFAOYSA-N 338.278 1.847 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccc4nncn4c3)CCO2)n1 78890227 UGFLBIWFSRIHAV-LBPRGKRZSA-N 341.375 1.014 0 40 EDAB C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 78917073 JRCOABZCWKLMGS-WDEREUQCSA-N 340.374 1.102 0 40 EDAB O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1n[nH]c(O)n1 79072585 QWHQJLVELIBBFE-UHFFFAOYSA-N 329.291 1.112 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)N1CCN(CCN2CCCC2)CC1 22934450 WFUJYVGCRXCNCW-UHFFFAOYSA-N 340.471 1.950 0 40 EDAB CN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1C(=O)O 3195975 WSHRXEIAMOHOGO-UHFFFAOYSA-N 338.319 1.644 0 40 EDAB Cc1ccccc1OCCN(C)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 42532736 AXCXQVNZGJKOKB-HOTGVXAUSA-N 347.459 1.418 0 40 EDAB Cc1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c1C 4942264 UKNWPUNPCQDPRV-ZMNIPVBYSA-N 343.379 1.983 0 40 EDAB Cc1ccc(-c2noc(CN3CCC4(CC3)NC(=O)NC4=O)n2)cc1 89642556 CSSKPQOFSIOMIT-UHFFFAOYSA-N 341.371 1.219 0 40 EDAB CCC(=O)N(c1ccc(OC)cc1OC)[C@@H]1C=CS(=O)(=O)C1 6805817 AJPASCONEODWNG-LLVKDONJSA-N 325.386 1.758 0 40 EDAB C[C@H](Cc1ccc(Br)cc1F)NC(=O)[C@@H]1CCC(=O)N1 95394161 AFKGYYKJVULYCM-PELKAZGASA-N 343.196 1.914 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C)cc1 8571323 IIWMRCVQCUTGGB-UHFFFAOYSA-N 334.397 1.921 0 40 EDAB C[C@H]1CO[C@H](C)CN1CC(=O)N[C@@H](c1ccccc1)c1nccn1C 106147002 DIQGBVDQOUQQKU-DAYGRLMNSA-N 342.443 1.735 0 40 EDAB Cc1c([C@@H](C)NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cnn1C 24998123 HYYRIKUJXJWQHS-CZUORRHYSA-N 340.427 1.954 0 40 EDAB COCCS(=O)(=O)N(C)CCc1ccc(Br)cc1 106891073 TWUUEQWBELFFAL-UHFFFAOYSA-N 336.251 1.900 0 40 EDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N[C@H](C)Cn2cncn2)o1 107353684 NXRMDNGRMPDJKL-DGCLKSJQSA-N 339.421 1.240 0 40 EDAB CC(C)(C)OC(=O)N1CCC(C(=O)NCCNc2cnccn2)CC1 43839319 PFUFFWVNGLIJTA-UHFFFAOYSA-N 349.435 1.652 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCc2cc(F)ccc21 56839958 SITNKUMAVOWBIF-QMTHXVAHSA-N 326.393 1.547 0 40 EDAB CCCn1c(C)nnc1Cn1nc(C(=O)NC)c2ccccc2c1=O 95448485 RWJULNUXLVTPHX-UHFFFAOYSA-N 340.387 1.114 0 40 EDAB CCN(CC)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cn1 48173405 BQIFGXIBRHCIRS-LBPRGKRZSA-N 326.422 1.236 0 40 EDAB Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2ncc(F)cn2)cs1 107800167 HWSVGZTVHYNJCW-STQMWFEESA-N 333.392 1.760 0 40 EDAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 44872450 WGWOOTCZTUHVLJ-LLVKDONJSA-N 335.347 1.799 0 40 EDAB COc1cc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)cc(OC)c1 12797800 SWSVXAYJPDCKSA-UHFFFAOYSA-N 335.360 1.363 0 40 EDAB Cc1cc(C(=O)N2CCc3ncc(CN(C)C(C)C)n3CC2)no1 104932467 XGTNNVOPANRHRY-UHFFFAOYSA-N 331.420 1.718 0 40 EDAB CC(C)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 22840006 HSECXAZOPAOWHZ-QWHCGFSZSA-N 332.400 1.971 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)NCc1cccnc1-n1cccn1 44918806 MCFMVLVUDOJCOP-UHFFFAOYSA-N 345.403 1.798 0 40 EDAB Cn1ncc(C(=O)NCc2ccc(-n3cncn3)nc2)c1-n1cccc1 44941647 PCIMRBBGRVNAML-UHFFFAOYSA-N 348.370 1.117 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 44973585 NFSSXEAUYOOMDO-GXTWGEPZSA-N 344.367 1.696 0 40 EDAB c1cc2c(cc1CN1CCN(c3ccc4nncn4n3)CC1)CCO2 44907169 MVASVMPRBZRPKY-UHFFFAOYSA-N 336.399 1.381 0 40 EDAB CCN(CC)[C@H](CNS(=O)(=O)c1cnn(C)c1)c1ccsc1 44937535 YNZMGSIWFSACFU-CQSZACIVSA-N 342.490 1.843 0 40 EDAB C[C@@H](C(=O)NC(N)=O)N(C)CCCc1cc(-c2ccccc2)no1 58332065 UZVAHMCVXHZZOP-LBPRGKRZSA-N 330.388 1.789 0 40 EDAB COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)Nc1cn[nH]c1 58343589 QYHYNUXVMFYEDW-UHFFFAOYSA-N 345.359 1.535 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)C1 28037111 LIDFPNURBWDTLS-HNNXBMFYSA-N 348.472 1.998 0 40 EDAB CC(C)[C@H](CNC(=O)c1ccc(N2CCCC2)nc1)N1CCOCC1 58429000 UEGMBTAKUQUWIX-KRWDZBQOSA-N 346.475 1.768 0 40 EDAB O=C(NCCCNCCCNC(=O)c1ccncc1)c1ccncc1 2200369 GNXNIQLBUUXMHX-UHFFFAOYSA-N 341.415 1.006 0 40 EDAB O=C(COC(=O)CN1C(=O)COc2ccccc21)NC1CCCC1 24922356 VJJMHLCFZPTVLU-UHFFFAOYSA-N 332.356 1.014 0 40 EDAB Cc1nc(CN2CCN(C(=O)N[C@@H](C)Cn3ccnc3)CC2)cs1 48343965 WEUADWCCTVANGU-ZDUSSCGKSA-N 348.476 1.564 0 40 EDAB CCc1ccc(-n2nnc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2C)cc1 12274105 RDFSCUZAURKUDF-CYBMUJFWSA-N 348.428 1.055 0 40 EDAB CCn1cnnc1CNC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 46965084 OWPVVTKWZWORKG-LLVKDONJSA-N 342.403 1.743 0 40 EDAB COc1cccc(CN(C)CC(=O)NC(=O)NCc2ccco2)c1 3584021 MWBBCOXGBPZONI-UHFFFAOYSA-N 331.372 1.746 0 40 EDAB CCN1C[C@H](C(=O)Nc2ncc(C)cc2Br)CC1=O 95436726 FKTVCCNUURICQX-SECBINFHSA-N 326.194 1.959 0 40 EDAB CO[C@@H](C)C(=O)N(CC(N)=O)Cc1ccc(Br)cc1 49116716 XNMPLRZMDHDGLH-VIFPVBQESA-N 329.194 1.298 0 40 EDAB COC(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 38985244 WDYFHWXRBFKADG-HNNXBMFYSA-N 332.400 1.290 0 40 EDAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)c1 9109467 QKPPNMDDOSPQMP-JTQLQIEISA-N 347.396 1.983 0 40 EDAB Cc1cc(O)n2nc(CC(=O)Nc3cccc4ncccc34)nc2n1 13628443 ICXTUPKQJXYTKU-UHFFFAOYSA-N 334.339 1.868 0 40 EDAB C[C@@H](CNC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1)N(C)C 65440010 DZJGPYGEIWJQOS-KBPBESRZSA-N 330.436 1.920 0 40 EDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NC[C@@H]1CCCOC1 65496389 NFIZEDKEGUNGKY-ZDUSSCGKSA-N 342.399 1.226 0 40 EDAB O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCc1ccccc1 65553945 HZRHPRZUHMDSBX-UHFFFAOYSA-N 346.408 1.312 0 40 EDAB Cc1cccc(CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 65624609 OYJPQYWEBRAXPO-KRWDZBQOSA-N 345.443 1.775 0 40 EDAB O=S(=O)(NCCNCc1cscn1)c1cccc(Cl)c1 65978181 LCPXNYZMRMVZPF-UHFFFAOYSA-N 331.850 1.865 0 40 EDAB N=C1NC(=O)[C@H](CC(=O)Nc2ccccc2Br)S1 9360953 YCUUOAWUIUWPDR-QMMMGPOBSA-N 328.191 1.944 0 40 EDAB C[C@@H]1CN(C(=O)COC(=O)c2cc(Cl)ccc2O)C[C@@H](C)O1 4808831 WWJDANWGSFCOKP-NXEZZACHSA-N 327.764 1.838 0 40 EDAB Cc1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1C 7216991 VDQYADVTYNPQLK-JTQLQIEISA-N 345.428 1.980 0 40 EDAB Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1C1CC1 7235297 JSDSSUYGRJFNOK-UHFFFAOYSA-N 337.430 1.584 0 40 EDAB CN1CCCC[C@@H]1CN1CCN(C(=O)COc2ccccc2)CC1 71885854 ZVAPNYRJKAFQAT-QGZVFWFLSA-N 331.460 1.694 0 40 EDAB O=S(=O)(c1ccc(F)cc1)N1CCN(C2CCOCC2)CC1 80826095 XNXWKILGIWEXBW-UHFFFAOYSA-N 328.409 1.311 0 40 EDAB Cc1nn(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c(=O)c2ccccc12 71805041 AJKVROFNQQBFDO-IRXDYDNUSA-N 341.411 1.875 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1C 71843925 YTZVZPMRBPBBGB-QGZVFWFLSA-N 341.411 1.973 0 40 EDAB O=C(c1cc(-c2cccnc2)on1)N1CCC[C@@H](N2CCNC2=O)C1 71841677 UYTRTKNOUZUYEX-CYBMUJFWSA-N 341.371 1.366 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1C[C@H](O)COc1ccc2c(c1)OCO2 71828316 FBEBAUQRLFSHOB-NSHDSACASA-N 348.355 1.020 0 40 EDAB O=C1COc2ccccc2N1CC(=O)N1CCC[C@@H]1Cn1cccn1 71866218 ROAGSVNVEMGFPT-CQSZACIVSA-N 340.383 1.300 0 40 EDAB O=C(NCc1ccc(-c2nnn[nH]2)cc1)c1cnn(-c2ccccc2)c1 68961912 GXVHHUDSYXQCTD-UHFFFAOYSA-N 345.366 1.982 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C2OCCO2)C1 69230272 KAWCHHOTSKJTAH-LBPRGKRZSA-N 329.393 1.908 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@H](OCCO)C2)c1C 70039846 BFYSNLCPMYVDSA-ZFWWWQNUSA-N 336.432 1.879 0 40 EDAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 70038216 GOLHLMMCCQLKRX-UONOGXRCSA-N 339.461 1.605 0 40 EDAB CC(C)n1nccc1NC(=O)CN1CCO[C@@H](Cn2cccn2)C1 69393644 AYWFZMJJGNILFC-CQSZACIVSA-N 332.408 1.000 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CC(=O)N(C)Cc3ccco3)CC2)n1 69348233 JTDABVUPRXORPM-CYBMUJFWSA-N 347.419 1.308 0 40 EDAB CCC[C@@H](C)N1C[C@@H](C(=O)NCc2cccc(NC(N)=O)c2)CC1=O 69460650 FRPNLFHYCYUQLC-OCCSQVGLSA-N 346.431 1.831 0 40 EDAB Cc1onc2c(=O)n(CCS(C)(=O)=O)nc(-c3ccccc3)c12 69416378 NBRXPGUAASEESK-UHFFFAOYSA-N 333.369 1.405 0 40 EDAB C[C@@H](C(=O)NC1CCN(CCc2ccccc2)CC1)S(C)(=O)=O 69451478 DZISBRWWQRJGQU-AWEZNQCLSA-N 338.473 1.243 0 40 EDAB CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(N2CCCC2)nc1 69435666 AGJBBCXDOSOYPH-CQSZACIVSA-N 348.472 1.675 0 40 EDAB CC(C)c1nc(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)no1 69586108 LDVITFIXXPQLGN-UHFFFAOYSA-N 348.384 1.788 0 40 EDAB CCOCCN1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 69658548 GRIGBYYVCHYAMU-GOSISDBHSA-N 331.460 1.660 0 40 EDAB CCOCCN1CCN(Cc2nnnn2-c2cc(C)ccc2F)CC1 69627329 WAABBLWMNMNDAK-UHFFFAOYSA-N 348.426 1.264 0 40 EDAB Cn1cc(-c2nc(CN3CCC[C@@H]3Cn3cncn3)cs2)cn1 69601180 MEJJGNONDNJMTN-CQSZACIVSA-N 329.433 1.800 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)c1[nH]nc(C2CC2)c1Br 89938258 OQFALPXBQKAJQC-MRVPVSSYSA-N 327.226 1.826 0 40 EDAB O=C(NCCO)c1ccccc1NCC(=O)N1CCc2ccccc21 69779364 LUCVRBJTGPJFAJ-UHFFFAOYSA-N 339.395 1.410 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1nnc(Cc3ccccc3)o1)CC2 69808079 YFHNFNTYGOUBSV-AWEZNQCLSA-N 338.415 1.919 0 40 EDAB Cc1ccc([C@H](NC(=O)CN2CCO[C@H](CN(C)C)C2)C2CC2)cc1 69979427 VUPNUXHCRMMSDN-QUCCMNQESA-N 345.487 1.825 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)Nc1ccn(CCc2ccccn2)n1 69967834 CLMGTHCOWUAGAR-UHFFFAOYSA-N 339.403 1.918 0 40 EDAB COCCOC(=O)Nc1cccc(NC(=O)N2CCC(O)CC2)c1 95955026 HDSMTHFMGJNGCO-UHFFFAOYSA-N 337.376 1.870 0 40 EDAB COC[C@@H](O)CN(C)C(=O)Cc1ccc(Br)cc1C 97048401 KGVFCDCPLUNLDO-ZDUSSCGKSA-N 330.222 1.766 0 40 EDAB CC(C)C[C@H](NC(=O)Cn1ncn(C)c1=O)c1nc2ccccc2[nH]1 97047750 LIHWSPJXXSXODX-AWEZNQCLSA-N 342.403 1.362 0 40 EDAB Cn1ccnc1[C@@](O)(CCNc1nccn2cnnc12)C(F)(F)F 72289820 BOJNMSCGCMGLOD-LBPRGKRZSA-N 341.297 1.110 0 40 EDAB O=C(C1CC1)N1CCC(C(=O)N(CCO)Cc2ccccc2)CC1 72274725 GRMAIUNZTIQXJU-UHFFFAOYSA-N 330.428 1.656 0 40 EDAB C[C@H]1CCc2c(sc3ncnc(N4CC(OCC(N)=O)C4)c23)C1 72312281 VBOZGCKOOUEMGG-VIFPVBQESA-N 332.429 1.507 0 40 EDAB Cc1nnc(S)n1CCNC(=O)[C@H](C)N1CCc2ccccc2C1 72304173 MFQMXKAKCUSWBB-LBPRGKRZSA-N 345.472 1.438 0 40 EDAB O=C1CC[C@H](NC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CN1 72301242 LJOSUEBLTHKFSZ-NSHDSACASA-N 333.779 1.926 0 40 EDAB C[C@@H](CNC(=O)NCc1ccc(-c2ccn[nH]2)cc1)N1CCOCC1 89901092 COWPIVGRDHXBAZ-AWEZNQCLSA-N 343.431 1.597 0 40 EDAB Cc1noc(CCCNC(=O)CNC(=O)c2cc3ccccc3[nH]2)n1 76065910 WNVQQSNDSMPASY-UHFFFAOYSA-N 341.371 1.338 0 40 EDAB CCN(CC)CCNC(=O)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 20029583 GFERFSRHRDWOQG-UHFFFAOYSA-N 347.459 1.839 0 40 EDAB CCn1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c(C(N)=O)n1 28235131 ZMLZUDBDGZMUPQ-UHFFFAOYSA-N 344.297 1.164 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@]1(COC)C(=O)O 218148603 BTXAAJYKDNSGIM-GZBFAFLISA-N 342.369 1.033 0 40 EDAB Cc1ccc(CNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cn1 69925341 VLUHBCVUXFRGLW-KRWDZBQOSA-N 332.448 1.644 0 40 EDAB O=C1COc2cccc(C(=O)NCc3ncnn3-c3ccccc3)c2N1 1531197066 URDGBFDFKJPXOJ-UHFFFAOYSA-N 349.350 1.528 0 40 EDAB COCCNC(=O)CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 76955743 RHIBZGFKYOHBKB-VHSXEESVSA-N 328.771 1.461 0 40 EDAB CCOC[C@@]1(C(N)=S)[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O 218442810 DYGAXBMARXIJLH-VNHYZAJKSA-N 327.471 1.814 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3ncccn3)CC2)c1C 35336544 MAYXTGGGCHNTDD-UHFFFAOYSA-N 341.415 1.629 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)Cc2cccc(Cl)c2)n1 78210513 CAUSXHUYGKRPKE-UHFFFAOYSA-N 341.820 1.762 0 40 EDAB NC(=O)C[C@H]1COCCN1C(=O)CCSCc1ccc(F)cc1 72474459 YPBYTLIQYXRBKO-AWEZNQCLSA-N 340.420 1.552 0 40 EDAB CCN(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 79412850 KSFWCZYOIPKJBX-GOEBONIOSA-N 333.432 1.983 0 40 EDAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCCCN2CC(N)=O)n1 72383615 UTAJVZIIEJQJFY-AWEZNQCLSA-N 326.404 1.936 0 40 EDAB COc1ccnc(N2CCN([C@H](C(=O)O)c3ccccc3)CC2)n1 563632832 ZYIHFADKPCUIHC-HNNXBMFYSA-N 328.372 1.433 0 40 EDAB COc1ccc(CC(=O)N[C@@H]2CCc3n[nH]c(=O)cc3C2)cc1Cl 225786351 PFLWQUBVANLKKU-GFCCVEGCSA-N 347.802 1.648 0 40 EDAB CC(C)c1ncc(Cl)c(C(=O)NS(=O)(=O)c2cnn(C)c2)n1 69654313 UJCCQSBVDSWTFA-UHFFFAOYSA-N 343.796 1.106 0 40 EDAB O=C(CN1CCCC1=O)Nc1ccc(CC(=O)N2CCCC2)cc1 225885596 AQVLTFAIXKJEGI-UHFFFAOYSA-N 329.400 1.412 0 40 EDAB CC[C@H](CSC)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 192203551 KWZXIKBVVBSOSU-MRXNPFEDSA-N 342.553 1.797 0 40 EDAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCO 223571297 FPFPMMFFUWYKDL-JKSUJKDBSA-N 346.456 1.494 0 40 EDAB CN(C)c1nc(CNC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 95436306 ONRMTIMEBVEDQR-AVGNSLFASA-N 336.461 1.966 0 40 EDAB O=C(c1ccnnc1)N1C[C@@H](OCC2CCOCC2)[C@H]2OCCC[C@H]21 96042411 NBOMTFQUECFBKA-ZACQAIPSSA-N 347.415 1.292 0 40 EDAB CCOc1cc(N2CCN(Cc3noc(C4CC4)n3)CC2)ncn1 97096836 VUQZSSIBPYGNFV-UHFFFAOYSA-N 330.392 1.458 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(Cc1nccn1C)C2 96238228 ORBGGAZZGJOWPC-QGZVFWFLSA-N 345.472 1.405 0 40 EDAB O=C(c1ccsc1)N1CCc2ncc(CN3CCOCC3)n2CC1 96196907 XMNSTGVFDVUKFV-UHFFFAOYSA-N 346.456 1.475 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCCc2cscn2)[C@@H]1c1cccnc1 96419975 ZCFRZNOISVZJSH-HIFRSBDPSA-N 330.413 1.416 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2c1cnn2C 96100089 ZDFWFKJDCAZZCC-LBPRGKRZSA-N 329.356 1.535 0 40 EDAB CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3cncc(C)c3)C[C@@H]2N1C(C)C 96182679 BKOZNPQMQFMCBG-OAGGEKHMSA-N 330.432 1.059 0 40 EDAB Cc1cnc(C(=O)N2Cc3ncn(C)c3[C@H](COCC(C)C)C2)cn1 96044850 FNWGKMMCCOHWAO-AWEZNQCLSA-N 343.431 1.931 0 40 EDAB CNC(=O)N1CCN(Cc2ccccc2)C[C@@]2(CCCC(=O)N2)C1 96238346 KGFOLQTXAUYAPS-SFHVURJKSA-N 330.432 1.183 0 40 EDAB Cn1cccc1C(=O)N1CCC2(CC1)NC(=O)C[C@H]2c1ccncc1 96199933 VFLUHWHYIGJKDY-HNNXBMFYSA-N 338.411 1.699 0 40 EDAB O=C(CCc1ccc2[nH]ccc2c1)N1CCC[C@](O)(c2cnn[nH]2)C1 583617706 HKTYFICWFTYNBT-GOSISDBHSA-N 339.399 1.729 0 40 EDAB CN(C)S(=O)(=O)Nc1ccc(-n2nncc2C(F)(F)F)cc1 95401770 XTHFUMOIEXUZIV-UHFFFAOYSA-N 335.311 1.504 0 40 EDAB CN(C)CC(=O)N1CCc2sc(C(=O)NCc3ccncc3)cc21 96264519 PHNQECSPHXRAJB-UHFFFAOYSA-N 344.440 1.524 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)CC1CC1)CC2 96254580 YGYSLQDKOGAEKB-UHFFFAOYSA-N 330.432 1.349 0 40 EDAB CN(C)CCOCc1nn(C)c2c1CN(C(=O)c1ccc[nH]1)CC2 96084899 TYAHLJIOLWTFRK-UHFFFAOYSA-N 331.420 1.025 0 40 EDAB Fc1cnc(N2CCC3(CC2)CN(c2ccccn2)CCO3)nc1 96158991 DIDFNFJKBZCQLB-UHFFFAOYSA-N 329.379 1.887 0 40 EDAB O=C(NCCCn1ccccc1=O)c1cnn(-c2ccc(F)cc2)n1 96414339 YHHKJNIMIFVURD-UHFFFAOYSA-N 341.346 1.388 0 40 EDAB CC1(C)CN(C(=O)Cc2ccn(-c3ccccc3)n2)C[C@@H](CO)O1 584166527 DBTMCTAXCWUHPZ-INIZCTEOSA-N 329.400 1.413 0 40 EDAB O=C([C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)N1CCOCC1 247873640 MUDYBZRKZPQGMN-ZACQAIPSSA-N 346.402 1.779 0 40 EDAB O=C(NCCc1ccc(F)cc1)c1cc(N2CCOCC2)ncn1 243787761 QIZXGAFTKKKFRR-UHFFFAOYSA-N 330.363 1.425 0 40 EDAB O=C(c1ccc2cc[nH]c2c1)N1CCC(N2C(=O)CNC2=O)CC1 240104314 UPRGHHNMODRJQQ-UHFFFAOYSA-N 326.356 1.324 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCc1ccc(-n3cncn3)c(F)c1)CC2 69773481 GZYVCLKQQMATHD-ZDUSSCGKSA-N 327.367 1.411 0 40 EDAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2cc(-c3ccc(F)cc3)n(C)n2)[C@H]1O 257332950 XZLCBORJOLNBGY-DJIMGWMZSA-N 347.390 1.837 0 40 EDAB CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cnc2sccc2c1 585114834 BVPIYYYFLAHQSS-KWQFWETISA-N 332.472 1.687 0 40 EDAB Cc1cc(C)c(CCNC(=O)NCC(=O)N=S(C)(C)=O)c(C)c1 585137686 ORVAYVPQJDZHQI-UHFFFAOYSA-N 339.461 1.708 0 40 EDAB COC(=O)[C@H](c1cccc(O)c1)N(C)C(=O)c1ncn(C(C)(C)C)n1 585126634 DTUNPXBSCXJYQM-ZDUSSCGKSA-N 346.387 1.725 0 40 EDAB COCC(=O)N1CC[C@@H](c2cc(Nc3nccs3)nc(C)n2)C1 257305029 SODMYLPCKVLWHZ-LLVKDONJSA-N 333.417 1.947 0 40 EDAB CN(C)S(=O)(=O)N1CCC(c2cccc(-c3ccnn3C)n2)CC1 257316366 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1.912 0 40 EDAB CN1CCC[C@H]1c1nnc2n1CCN(C(=O)Cc1ccccc1)CC2 19707066 GWRQMIQBIVDHNS-INIZCTEOSA-N 339.443 1.672 0 40 EDAB CC(C)Nc1nc([C@H](C)n2ncc3ccccc3c2=O)cc(=O)[nH]1 19717425 CLZLKWGKOADNPU-NSHDSACASA-N 325.372 1.909 0 40 EDAB Cc1noc(C)c1C(=O)N1CC[C@H](C(=O)NCCN2CCCCC2)C1 19747897 AGWBOMVPIPHAIG-HNNXBMFYSA-N 348.447 1.356 0 40 EDAB Cc1ccc(N2CC(N(C)C(=O)c3noc4c3CCCC4)C2)nn1 1888844043 RXNWIDVLQYXNOI-UHFFFAOYSA-N 327.388 1.613 0 40 EDAB Cc1cc(N2CCN(c3ncc(F)cn3)CC2)n2nc(C)cc2n1 1888864392 DKGIINLOEZTQRZ-UHFFFAOYSA-N 327.367 1.602 0 40 EDAB Cc1cc(N2CCN(c3nc4ccccc4c(=O)n3C)CC2)ncn1 1889148845 PBPZHUNJIAAQID-UHFFFAOYSA-N 336.399 1.359 0 40 EDAB O=C(Cc1ccccc1)NCCC(=O)N1CC(=O)Nc2ccccc21 21493967 JAYQQJPOQPODRL-UHFFFAOYSA-N 337.379 1.721 0 40 EDAB COc1ccc(OC)c(N2C[C@@H](C(=O)N[C@H](C)C3CC3)CC2=O)c1 23111385 ITTDZNDJRGBZNJ-YPMHNXCESA-N 332.400 1.971 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)Cn1cnc2ncccc2c1=O 23400342 MCMFWCHLLRIDAX-AWEZNQCLSA-N 325.368 1.848 0 40 EDAB CCN(CC)S(=O)(=O)NCc1ccccc1CN1CCOCC1 23402338 UCBUJUQZPHYBPA-UHFFFAOYSA-N 341.477 1.195 0 40 EDAB Cc1ccc(OC[C@H](O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 23409051 YDELWNKITLJBKA-SJLPKXTDSA-N 348.443 1.058 0 40 EDAB Cc1n[nH]c(C)c1CN1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 2037971332 MOELVJANMNYYIK-ZWKOTPCHSA-N 339.480 1.921 0 40 EDAB Cn1cc(-c2cncc(N3CCN(c4ncncc4F)CC3)n2)cn1 2087018078 RNYRGEGRASDPNQ-UHFFFAOYSA-N 340.366 1.133 0 40 EDAB COc1cnc(O[C@H]2CCN(CC(=O)Nc3ccccc3F)C2)nc1 2087066778 JCOLAEKYGZLMRL-LBPRGKRZSA-N 346.362 1.716 0 40 EDAB Cc1cc(CN2CCC3(CC2)CC(NC(=O)Cc2cn[nH]c2)C3)n[nH]1 1565541587 BHGXDCHZCYSEQI-UHFFFAOYSA-N 342.447 1.545 0 40 EDAB COc1cccc(CN2CCC(C(=O)N(C)C)(n3ccnc3)CC2)c1 2055708119 LFRZPZSHEGOHNA-UHFFFAOYSA-N 342.443 1.971 0 40 EDAB CCc1ccc(C(=O)N2CCN(C)C[C@@]3(CCCC(=O)N3)C2)cn1 2055806672 RZPIEONAVVEOER-SFHVURJKSA-N 330.432 1.071 0 40 EDAB CC(=O)N1CCC(C(=O)N[C@@H]2CCN(Cc3ccsc3)C2)CC1 618256617 KTHXHJYGGKBGCX-MRXNPFEDSA-N 335.473 1.697 0 40 EDAB CC1CCN(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)CC1 30260087 VMIDVBHNWWKPAK-UHFFFAOYSA-N 338.477 1.176 0 40 EDAB CC[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)C1 30364728 OKWONWAJYPRGFJ-NSHDSACASA-N 326.418 1.605 0 40 EDAB COc1cc2c(cc1CNCCc1nnc3n1CCC3)O[C@@H](C)C2 30657275 RISYFKUZQCLOKR-LBPRGKRZSA-N 328.416 1.889 0 40 EDAB Cc1ccc(S(=O)(=O)NNC(=S)NCc2ccccc2)cc1 68112 CVNRHVRMICKLMF-UHFFFAOYSA-N 335.454 1.853 0 40 EDAB COc1ccc(C(=O)Cn2nnn(-c3cccs3)c2=O)cc1F 40494172 KIQBBQFNCYKYCB-UHFFFAOYSA-N 334.332 1.521 0 40 EDAB CCc1nc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2nc1CC 40467929 BKPJQUJSSCNQSQ-GFCCVEGCSA-N 347.440 1.672 0 40 EDAB CC[C@@](C)(CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1 40523115 BKRWAKHBCTWZSZ-AWEZNQCLSA-N 348.369 1.519 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCc2cccnc2N(C)C)c1 32438020 ABYXDCVAQGLUAJ-UHFFFAOYSA-N 349.412 1.413 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(C)C)cc1 32667884 XYLGYPSASVYYBB-LLVKDONJSA-N 342.417 1.511 0 40 EDAB CNC(=O)Cn1c(=O)nc(-c2ccc(F)cc2)c2nc(C)sc21 32615801 SEYWICPWZKUGMA-UHFFFAOYSA-N 332.360 1.714 0 40 EDAB Cc1cccc(OCCNC(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)c1 21702104 OCOAIXAEZJGGTP-HNNXBMFYSA-N 333.388 1.066 0 40 EDAB Cc1ccc(-c2cc(C(=O)NC[C@H](C)N3CCOCC3)[nH]n2)cc1 33081830 OTDZHAIBNSCCOD-AWEZNQCLSA-N 328.416 1.836 0 40 EDAB COC(=O)c1cccc2c1CCCN2CC(=O)NC(=O)NC1CC1 53053559 YQYGOHXUWKXSER-UHFFFAOYSA-N 331.372 1.214 0 40 EDAB S=C(c1ccc(C(=S)N2CCOCC2)cc1)N1CCOCC1 324293 KYFPRUVJQFXFFD-UHFFFAOYSA-N 336.482 1.702 0 40 EDAB COc1ccc(CCn2c(=O)[nH]c3ccccc3c2=O)cc1OC 422917 YIMCEDOEVLPKJU-UHFFFAOYSA-N 326.352 1.950 0 40 EDAB biogenic CC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 12322702 VWLPAHAGZNGRGP-UHFFFAOYSA-N 346.456 1.542 0 40 EDAB CCn1nnc(NC(=O)c2cccc(I)c2)n1 557577 PTNUSDQSTRWGAY-UHFFFAOYSA-N 343.128 1.550 0 40 EDAB Cc1nn(C)c2sc(C(=O)N[C@@H]3CCc4nnc(C)n4C3)cc12 97198655 JKMVUJFBOMLHSJ-SNVBAGLBSA-N 330.417 1.588 0 40 EDAB CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 814012 SCAKCDVHGQIAOX-UHFFFAOYSA-N 326.418 1.150 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C[C@H](O)COCc3cccs3)CCO2)n1 78894373 MLEREEKTUJQTEG-JSGCOSHPSA-N 338.433 1.126 0 40 EDAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C12CCCCC2 78874908 RFLUSDPDABIBBG-HUUCEWRRSA-N 333.432 1.980 0 40 EDAB Cc1cnn(CCCNC(=O)NCCC(=O)Nc2ccccc2)c1 78808709 BNYYKAOJZZTCLL-UHFFFAOYSA-N 329.404 1.910 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2cnc3sccc3c2=O)C1 23064667 AFERQKRMTODDGM-NSHDSACASA-N 349.412 1.260 0 40 EDAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(O)nn2)C1 23422440 XEEJZVJUIIWANV-LBPRGKRZSA-N 326.356 1.673 0 40 EDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cc2ccccc2nc1O 72300585 FKZKBGMNXJRYMS-WFASDCNBSA-N 349.456 1.700 0 40 EDAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cnc3c(c2)c(C)nn3C)no1 24199624 DOMKKKXHMUVPJO-JTQLQIEISA-N 343.343 1.757 0 40 EDAB Cc1noc(C)c1CC(=O)OCC(=O)N1CCc2ccccc2C1 24267026 NHWTXHPXVBESRG-UHFFFAOYSA-N 328.368 1.962 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC(c2nc3ccccc3[nH]2)CC1 42900109 DCWVJKYTHYHZGT-ZDUSSCGKSA-N 347.440 1.704 0 40 EDAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccn(C)n1 24474245 HRWHJLBFVBANNX-OAHLLOKOSA-N 325.372 1.587 0 40 EDAB Cc1nccc(CNC(=O)N2CCC[C@H](Cc3nccn3C)C2)n1 95424336 QBNZOPCUDOODST-CQSZACIVSA-N 328.420 1.683 0 40 EDAB O=C1O[C@@H](C(=O)Nc2ccc(-n3ccnc3)nc2)Cc2ccccc21 25010587 SEDYUIIEBSVQDO-OAHLLOKOSA-N 334.335 1.988 0 40 EDAB CC(C)COc1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cn1 55786819 UORJDFRYSKAWAP-UHFFFAOYSA-N 346.431 1.746 0 40 EDAB COc1ccc(NC(=O)COC(=O)Cn2nnc3ccccc32)cc1 3249000 DGOGMETZGXHGBG-UHFFFAOYSA-N 340.339 1.622 0 40 EDAB CC(=O)NCCC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 55899938 ZBDWCPUUKAQRCE-UHFFFAOYSA-N 337.464 1.544 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)C[C@H]1O 95445024 XDIPMFYVOSFACK-FSPWUOQZSA-N 343.427 1.444 0 40 EDAB O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1=CCCCO1 108143409 VGIDNAMMBNWCFO-SJORKVTESA-N 330.428 1.680 0 40 EDAB COc1ccc(CNC(=O)c2ccc(N3CCOCC3)nc2)cn1 48276038 CYIWWOPWSUKVEB-UHFFFAOYSA-N 328.372 1.252 0 40 EDAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1OC 100747046 MKPBSJITNRALDA-UGQVUOCMSA-N 347.367 1.017 0 40 EDAB Cc1cccc(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)n1 58268454 OBTQXDZCEPNGCI-CYBMUJFWSA-N 328.294 1.902 0 40 EDAB COCCNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 58214762 YQQOHGUEVNIHER-HUUCEWRRSA-N 343.383 1.023 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(F)cc1 102590070 IDVDEANEZAKCMX-WQXBFISLSA-N 340.354 1.817 0 40 EDAB COCc1nsc(N2CCN(Cc3cn4ccccc4n3)CC2)n1 72307788 MKNBVNGBGZFACW-UHFFFAOYSA-N 344.444 1.654 0 40 EDAB CCOC(=O)[C@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1F 48334019 CSEQLPNTTMXFKY-QMMMGPOBSA-N 335.353 1.073 0 40 EDAB CNC(=O)CN1CCC(NC(=O)C(C)(C)c2ccccc2C)CC1 58677794 VHJKKVQHAJWLNA-UHFFFAOYSA-N 331.460 1.599 0 40 EDAB Nc1nccnc1C(=O)NCc1ccc(OC[C@@H]2CCCO2)cc1 36390691 AQKYDPSOIGMVIV-AWEZNQCLSA-N 328.372 1.547 0 40 EDAB O=C(C1CCN(Cc2nc(=O)c3ccccc3[nH]2)CC1)N1CCCC1 29145998 HRLBSAVJOKPTEO-UHFFFAOYSA-N 340.427 1.758 0 40 EDAB Cc1cc(NC(=O)CSc2nnnn2C2CCCCC2)n(C)n1 11579174 PRFUKAGIJRITGO-UHFFFAOYSA-N 335.437 1.951 0 40 EDAB COc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1OC 11544259 JXHOEPFBRWHKBN-UHFFFAOYSA-N 328.372 1.456 0 40 EDAB CCCSc1ncc(Br)c(C(=O)NCCC(=O)O)n1 46086196 DEDVDYZKKUXRQF-UHFFFAOYSA-N 348.222 1.946 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)NCc1cccnc1-n1ccnc1 29918527 FFJVMAHMUBRJGC-LBPRGKRZSA-N 339.355 1.295 0 40 EDAB C[C@H](NC(=O)NC[C@@H](O)CO[C@H](C)c1ccccc1)c1nncn1C 46871287 LZORQVMONIMTGQ-GZBFAFLISA-N 347.419 1.314 0 40 EDAB C[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc(S(N)(=O)=O)s1 95396279 OXKXQQWIAPANGI-CMPLNLGQSA-N 346.474 1.607 0 40 EDAB NC(=O)CCN(Cc1ccccc1)Cc1cc(=O)n2ccccc2n1 13010910 KYDDUIFSBUSBTO-UHFFFAOYSA-N 336.395 1.572 0 40 EDAB CN1C[C@@H]2CC[C@@H](C(=O)NCC3CC3)N2c2ccccc2S1(=O)=O 306139312 SUJFSCKYCZBIJH-ZFWWWQNUSA-N 349.456 1.184 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)N1CC[C@]2(O)CCCC[C@@H]2C1 71283087 ABMNKCUNRHEWSF-DNVCBOLYSA-N 345.443 1.276 0 40 EDAB CN(c1ccc2nccnc2n1)[C@@H]1CCN(CC(F)(F)F)C1=O 95395782 PRBNPTPPPJPQCB-SNVBAGLBSA-N 325.294 1.624 0 40 EDAB Cc1ccc2nc(C(F)(F)F)n(N3C(=O)[C@H]4C[C@H]4C3=O)c(=O)c2c1 13400846 DXAWCFDFTPJANM-OCAPTIKFSA-N 337.257 1.365 0 40 EDAB CCOc1ncnc2c1CN([C@@H](C)C(=O)Nc1nccs1)CC2 97202211 WNDGOSZFXOHJER-JTQLQIEISA-N 333.417 1.717 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccncc1 65446518 XZYAPZYMCXITPP-LLVKDONJSA-N 334.401 1.289 0 40 EDAB CNC(=O)C1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 65436972 SIJPLMYLRFHKJO-UHFFFAOYSA-N 346.818 1.848 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c1C 14186789 VFVHLZAWPOTKEI-HNNXBMFYSA-N 335.448 1.921 0 40 EDAB CN(C)C(=O)NC[C@H]1CO[C@@H]2CN(Cc3cccc4[nH]ccc34)C[C@H]12 306142114 WPTSCTZRZCPUTK-YXJHDRRASA-N 342.443 1.886 0 40 EDAB C[C@H]1CSC(N(C(=O)Cn2cnnn2)c2ccc(Cl)cc2)=N1 6552703 PWLGVGDOEUPEKU-VIFPVBQESA-N 336.808 1.851 0 40 EDAB O=C(c1ccco1)N1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 84429428 VJPRJXYGFDWQPB-UHFFFAOYSA-N 341.367 1.055 0 40 EDAB NC(=O)c1c(NC(=O)COC(=O)c2ccco2)sc2c1CCC2 5856262 DXBAHMLUXOMULH-UHFFFAOYSA-N 334.353 1.724 0 40 EDAB C[C@@H](OC(=O)c1cc[n+]([O-])cc1)C(=O)Nc1ccc2c(c1)OCCO2 5961779 YWHRHCJSTIAFFO-LLVKDONJSA-N 344.323 1.275 0 40 EDAB Cc1ccc(F)c(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 67558240 FDEVXHWMTHXNFS-LLVKDONJSA-N 329.397 1.680 0 40 EDAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@H]2CCC(=O)NC2)cc1 95350712 SHRPMYVSEWVUFI-SWLSCSKDSA-N 345.399 1.151 0 40 EDAB O=C(CO)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 96496672 ALTUAHXMZMBKSP-RYUDHWBXSA-N 348.296 1.181 0 40 EDAB O=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1ccc(F)cc1F 68639391 BJJDWTXHUIPDDF-UHFFFAOYSA-N 339.298 1.004 0 40 EDAB CCCCC(=O)N1CCN(C(=O)CCCC)[C@@H](C(=O)OCC)C1 84740871 FATQAEAOVOKUND-CQSZACIVSA-N 326.437 1.969 0 40 EDAB CN1CCN(c2ncccc2CNCc2cccc3c2OCO3)CC1 71834551 RHFQFIRYRDZBCB-UHFFFAOYSA-N 340.427 1.852 0 40 EDAB O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CCC(C2OCCO2)CC1 69290155 BPHMXVSXOZMTJI-MRXNPFEDSA-N 348.374 1.930 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1cnn(-c2ccccc2)c1 71829681 YQZCWJUVGGPTCI-DZGCQCFKSA-N 326.400 1.527 0 40 EDAB COC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)N1CCCC1 69347543 VPLUAWDQJRITPO-UHFFFAOYSA-N 346.836 1.656 0 40 EDAB O=C(CCc1n[nH]c(=O)[nH]c1=O)Nc1nc2c(s1)CCCCCC2 69367541 QFGGYGFMPMKJGU-UHFFFAOYSA-N 349.416 1.145 0 40 EDAB Cc1cccn2cc(CC(=O)N3CCN(Cc4cccnc4)CC3)nc12 69349285 BIFOCHUFAOYPNN-UHFFFAOYSA-N 349.438 1.925 0 40 EDAB Cc1cc(C(=O)N2CCCC[C@H]2CC(N)=O)c2c(C)nn(C)c2n1 69325497 YCQNRZXAXDBFEI-LBPRGKRZSA-N 329.404 1.455 0 40 EDAB Cc1noc(C)c1C(=O)NCc1cccc(CN2CCN(C)CC2)c1 69414102 JJBRPJZPVWPZOQ-UHFFFAOYSA-N 342.443 1.969 0 40 EDAB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@H]2CCCO2)c1 69631913 LQXXQYNPZJGIFT-GFCCVEGCSA-N 347.458 1.164 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)Nc2ccc(F)c(C(N)=O)c2)C1 69623356 KWRFZXCZKWGCQP-JTQLQIEISA-N 338.339 1.277 0 40 EDAB O=c1[nH]cnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 18187795 UFVJIDABJIKEQQ-UHFFFAOYSA-N 328.397 1.858 0 40 EDAB C[C@](O)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1)C(F)(F)F 95445078 DUCLFNIIDDLMND-ZANVPECISA-N 334.294 1.314 0 40 EDAB C[C@@H](CCc1cccc(F)c1)NC(=O)C(C)(C)NS(C)(=O)=O 95401906 DRBKQZDABNOPHI-NSHDSACASA-N 330.425 1.591 0 40 EDAB O=c1c2ccncc2ncn1C[C@@H](O)COc1ccc(Cl)cc1 97080164 ZUKTXFLCOJKOQT-GFCCVEGCSA-N 331.759 1.885 0 40 EDAB CC(C)N1C[C@H](NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1=O 72293240 PRYYPHOEVYJEGB-TZMCWYRMSA-N 347.415 1.827 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)CCOCC(F)(F)F 72284901 CKHZRWHGUYYMAT-UHFFFAOYSA-N 346.309 1.225 0 40 EDAB COc1cccc(C[C@@H](C)NC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1 72281546 CLKODCPFVSSJLE-CHWSQXEVSA-N 342.461 1.701 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 72281008 JEUHUCREEBCVSK-ZWNOBZJWSA-N 342.465 1.028 0 40 EDAB O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)NC1Cc2ccccc2C1 97140406 RWKQZDSMCZSFKR-MSOLQXFVSA-N 329.444 1.706 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccn(C)c(=O)c1 95951609 HRNNLXHYXKUNNF-ZDUSSCGKSA-N 334.441 1.982 0 40 EDAB CN1CCO[C@H](C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)C1 95978756 WRHHQTQURPMDSV-OWCLPIDISA-N 339.386 1.157 0 40 EDAB Cc1cccc(N2CCN(CCCCNC(=O)C(C)(C)O)CC2)c1 95946381 NRVLKGXVOZTJPX-UHFFFAOYSA-N 333.476 1.784 0 40 EDAB CS[C@@H]1CN(c2c(C)c(C)nc3ncnn23)C[C@H]1N1CCCC1 95946029 QGNGPGDFQABHID-ZIAGYGMSSA-N 332.477 1.757 0 40 EDAB Cc1cccn2c(=O)cc(Cn3c(-c4cccs4)noc3=O)nc12 95990838 HFBYLZUNXVMCDC-UHFFFAOYSA-N 340.364 1.929 0 40 EDAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1cnnc1[S@](C)=O 75137308 ZRNVYBJVRXKMEU-YGWIHHTISA-N 342.371 1.513 0 40 EDAB CCSc1ccc(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)cn1 75140630 YFCFJJPMTCDNLA-CQSZACIVSA-N 333.461 1.960 0 40 EDAB Cc1nnc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)s1 75145037 XRJZAAFTBWZGPG-UHFFFAOYSA-N 342.428 1.405 0 40 EDAB COCCN1CCC(CNC(=O)Cc2cn3cccc(C)c3n2)CC1 89700375 QCYQYUWTFPXHDW-UHFFFAOYSA-N 344.459 1.660 0 40 EDAB CN1C[C@H](C(=O)NCc2cc(N(C)C)nc3ccccc23)CC1=O 75386052 QREJZRDFZKEPQV-CYBMUJFWSA-N 326.400 1.395 0 40 EDAB O=C(CN(Cc1nc(C2CC2)no1)C[C@@H]1CCCO1)N1CCCC1 89819043 KVEANJYAEQOFKP-AWEZNQCLSA-N 334.420 1.550 0 40 EDAB C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 89904084 XLXZFSXOAFLKMQ-AAEUAGOBSA-N 344.864 1.716 0 40 EDAB CS(=O)(=O)[C@H]1CSCCN1C(=O)c1ccc2c(c1)OCCO2 76042000 XDKKLRFUKQVYSG-ZDUSSCGKSA-N 343.426 1.018 0 40 EDAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccn(C)c(=O)c1 28439576 COAWRZHUXOOOQO-UHFFFAOYSA-N 332.356 1.341 0 40 EDAB Cn1cnc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 179434259 NWNCGCJXAUDPRM-CVEARBPZSA-N 328.416 1.033 0 40 EDAB NC(=O)C[C@@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1F 408997368 GBRIVEHFAPQKSH-CQSZACIVSA-N 345.330 1.797 0 40 EDAB Cn1cc(CN2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)cn1 306128233 GUWGRAPPIFDADX-MRXNPFEDSA-N 328.420 1.186 0 40 EDAB COC[C@@H](C)NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408706180 WSLNBOUTCLVQQF-GFCCVEGCSA-N 346.424 1.523 0 40 EDAB Cn1cnc(C(=O)N2CCC(c3cc(C4CCNCC4)[nH]n3)CC2)c1 518182584 IQSQPIQNLKUMLU-UHFFFAOYSA-N 342.447 1.630 0 40 EDAB COc1nn(C)cc1C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 38678021 QULAODGQJZWPAB-UHFFFAOYSA-N 340.383 1.980 0 40 EDAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(C[C@H]2CCOC2)C3)CC1 72389546 PRVLFOHMXQMTAW-CQSZACIVSA-N 332.448 1.401 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)NCCc1ccccc1)c1cccs1 75155923 WSNMMXSCUIEJMH-QGZVFWFLSA-N 332.425 1.431 0 40 EDAB CCN(CC(=O)NCCOC)S(=O)(=O)c1cc(C)ccc1C 225932716 WYZNGKGLPSHEEP-UHFFFAOYSA-N 328.434 1.077 0 40 EDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NC3CCCCCC3)cc2)n1 44921565 LWIKLFRHWATHRO-UHFFFAOYSA-N 342.403 1.655 0 40 EDAB COc1ccc(CCCN2CC[C@H](NS(C)(=O)=O)C2)cc1F 195573001 KDEIPVGEMDTNLL-ZDUSSCGKSA-N 330.425 1.390 0 40 EDAB CO[C@@H]1CN(C(=O)NCc2ccc(-n3cncn3)cc2)CC[C@H]1C 225491026 YZKIZZPTSPGTIB-CZUORRHYSA-N 329.404 1.834 0 40 EDAB Cc1ccc(CNC[C@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)o1 96061013 CYCSETNZKRODQN-AWEZNQCLSA-N 328.376 1.269 0 40 EDAB CCn1nnc2c1[C@@H](COC)CN(C(=O)c1cccnc1OC)C2 96045528 ZFPZRLDQCXJAPZ-LLVKDONJSA-N 331.376 1.088 0 40 EDAB O=C(N[C@@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12)c1ccno1 96185943 YVYRCWIGCWNLGM-JTNHKYCSSA-N 334.401 1.293 0 40 EDAB CC(C)NC(=O)N1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225829 XCCJMTXLCYHWMT-QGZVFWFLSA-N 345.403 1.037 0 40 EDAB O=C([C@H]1Cc2ccccc2O1)N1CCC(n2ncc3c2CNC3)CC1 333235538 AASIFJNGMBLJDQ-GOSISDBHSA-N 338.411 1.654 0 40 EDAB C[C@H](CNC(=O)NC[C@](C)(O)c1cnn(C)c1)N(C)c1ccccc1 96421603 MLJPAQPNHNDTCU-KDOFPFPSSA-N 345.447 1.452 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccc(Cn3cccn3)cc2)CC1 26394123 OFWYWVOFBZLSBZ-UHFFFAOYSA-N 341.415 1.338 0 40 EDAB CN1CCN([C@@H]2CN(C(=O)c3ccsc3)[C@@H]3CCCO[C@H]23)CC1 96185821 WAIMMWCNICJHMY-OAGGEKHMSA-N 335.473 1.368 0 40 EDAB CNC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H]3CCOC3)CC2)c2ccccc21 96079300 OBYUWLIYACAWAT-GDBMZVCRSA-N 342.439 1.817 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)N1CCCC1)C2 96227450 QPQBSVGOVWZDLY-QFBILLFUSA-N 342.443 1.968 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N(CCO)[C@@H]1CCCc2ccccc21 96455045 GDLPNMJSECQFKN-WMLDXEAASA-N 343.431 1.748 0 40 EDAB Cc1cc(CN2CCC3(CC[C@H](C(=O)N4CCCO4)O3)CC2)no1 96111142 CMOAQVDXKOQEHI-OAHLLOKOSA-N 335.404 1.661 0 40 EDAB COC(=O)Cn1ncc2c(N3CC[C@@H](c4ccccc4)C3)ncnc21 96408659 ANKVUGJNAHGEGD-CQSZACIVSA-N 337.383 1.993 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@@H]2CN(Cc3cccs3)C[C@@H]2C1 96054134 UFOAZWMWVWNYMK-CHWSQXEVSA-N 329.491 1.308 0 40 EDAB O=C1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)CCN1 96429395 TXYZUULPTOGUER-UHFFFAOYSA-N 337.305 1.884 0 40 EDAB CC[C@@H]1N(C(=O)c2ccnnc2)CCC[C@]12CCC(=O)N2CCOC 96052449 MRFMKXLUWVAYQZ-YJBOKZPZSA-N 346.431 1.499 0 40 EDAB CC(C)c1nncn1CCNC(=O)c1ccc(CCN(C)C)cc1 579729795 RAMGQFXMBDIIKP-UHFFFAOYSA-N 329.448 1.936 0 40 EDAB CC(C)NC(=O)N1CCN(Cc2ccco2)C[C@]2(CNC(=O)C2)C1 96035983 WGABRIZJLPHLAV-KRWDZBQOSA-N 334.420 1.022 0 40 EDAB O=C(Cc1ccco1)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 96209468 RHQPMCPCCAMHIL-WMLDXEAASA-N 330.384 1.775 0 40 EDAB CCS(=O)(=O)N1CC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 96219234 MGGITQHXIFGGHE-SMDDNHRTSA-N 329.397 1.216 0 40 EDAB O=C(NCc1ccco1)C1=NO[C@@]2(CCN(Cc3ccncc3)C2)C1 96225851 RFXRPTRVOKUJHB-SFHVURJKSA-N 340.383 1.712 0 40 EDAB CC(C)(C)CN1CCC[C@@H](N2CC[C@@H](c3cc(O)nc(O)n3)C2)C1=O 583652016 YAORBJZYGYYOET-TZMCWYRMSA-N 348.447 1.714 0 40 EDAB CCn1cc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)cn1 257296524 RDEVYQYXAYOYGZ-SJLPKXTDSA-N 329.400 1.948 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)C3(C)CC(=O)C3)CC2)c1 585100189 FLIYJLSPISCMTK-UHFFFAOYSA-N 330.384 1.349 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)Cc2csc(C)n2)n1 257291310 QGLMRXOZSPEREQ-CYBMUJFWSA-N 347.444 1.734 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(Cc2[nH]c3ccc(F)cc3c2C)C1 257211647 BZSDIJPJBRDQHS-CYBMUJFWSA-N 332.423 1.725 0 40 EDAB Cc1nc(CN2CCOC[C@H]2c2[nH]ncc2S(C)(=O)=O)cs1 257306749 SVQYNBTVPPVIJC-NSHDSACASA-N 342.446 1.152 0 40 EDAB Cn1cccc1C(=O)N1CCCC[C@H]1c1[nH]ncc1S(C)(=O)=O 257222875 DUYOPZTUPRZUMW-NSHDSACASA-N 336.417 1.519 0 40 EDAB CN(C)c1nccnc1C[C@H]1CCCN(C(=O)c2cnccn2)C1 257316024 VDUMZMJICXMZCC-CYBMUJFWSA-N 326.404 1.428 0 40 EDAB C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@H]1CCc2ccccc21 253370195 NPULDOLSYPFGTL-FDQGKXFDSA-N 344.455 1.888 0 40 EDAB CCNC(=O)N(C)c1cccc(NS(=O)(=O)C[C@H](C)OC)c1 252487997 IGQNJRGXSVLWMT-NSHDSACASA-N 329.422 1.629 0 40 EDAB COC[C@@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2cncn21 253613826 OMPLRJPTBVXJHS-HNNXBMFYSA-N 335.429 1.490 0 40 EDAB C[C@@H]1CC(C(=O)O)C[C@@H](C)N1Cc1nnnn1CC1CCOCC1 1604652347 NFTDHUAVEJVGNN-VXGBXAGGSA-N 337.424 1.173 0 40 EDAB O=S(=O)(NCC1CC1)c1ccc(NCC2(CO)CC2)nc1F 1615045878 KDKWVODRDUACLL-UHFFFAOYSA-N 329.397 1.093 0 40 EDAB CC(=O)N[C@@H](CC(=O)NS(=O)(=O)NC(C)(C)C)c1cccs1 1615571604 MYOPBZRTGBVUSH-JTQLQIEISA-N 347.462 1.065 0 40 EDAB Cn1cnn(CCC(=O)NC[C@@H]2CC(C)(C)Oc3ccccc32)c1=O 1615566056 QKMXKTBLARZSEM-ZDUSSCGKSA-N 344.415 1.433 0 40 EDAB COc1cc([C@H](C)NC(=O)c2ccncc2)ccc1S(C)(=O)=O 1615615206 LSXFKWJKNHHVTH-NSHDSACASA-N 334.397 1.985 0 40 EDAB NC(=O)c1cccc(CCNC(=O)[C@@H]2NCCOc3ccccc32)c1 1615614359 GILYGHPWMIHBKS-QGZVFWFLSA-N 339.395 1.168 0 40 EDAB O=S(=O)(NCCn1ccnc1-c1ncccn1)c1ccccc1F 96103910 HCJNFJXDYPBUAL-UHFFFAOYSA-N 347.375 1.458 0 40 EDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)C2(F)CCC2)C3)n1 575403287 HOKHVOOAJIIALZ-CYBMUJFWSA-N 335.379 1.816 0 40 EDAB CCOCC(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1 575403502 FXDANXSDSYXXLN-KRWDZBQOSA-N 329.400 1.847 0 40 EDAB CC(C)CCC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCOCC2)C1 575404289 AUIOICGSHJOIGJ-MRXNPFEDSA-N 348.447 1.452 0 40 EDAB NC(=O)[C@@H](F)C1CCN(C(=O)c2cc(F)c(F)c(F)c2F)CC1 585141564 VSBBDBLODILIRQ-VIFPVBQESA-N 336.260 1.919 0 40 EDAB CC(C)CNC[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O 585284436 KYAFFFCINXWMHC-PKOBYXMFSA-N 334.460 1.189 0 40 EDAB COc1cc(CNC(=O)c2ccc(C)s2)ccc1OCC(N)=O 71814859 FDRIFMQBXYQYNL-UHFFFAOYSA-N 334.397 1.859 0 40 EDAB Cc1ccc(OCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1C 72269103 KGKQHJLCHBVVMT-ZWKOTPCHSA-N 332.444 1.740 0 40 EDAB COc1cc(OC)cc([C@@H](NC(=O)c2cnn[nH]2)c2nccn2C)c1 54518570 XHDDTVLFFVUAFS-CQSZACIVSA-N 342.359 1.075 0 40 EDAB CCc1noc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)n1 40489668 UDLNWUOLYYPROE-UHFFFAOYSA-N 345.451 1.268 0 40 EDAB COc1ccccc1[C@@H](C)N(C)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 40498647 VVZHGLOVINGYPZ-GFCCVEGCSA-N 345.399 1.532 0 40 EDAB Cc1ccc(-n2nnc(C(=O)NCC3(CO)CC3)c2C2CC2)cc1 89642691 KWKFYUZLWZWQQR-UHFFFAOYSA-N 326.400 1.955 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c1 96099704 GEPUUHGSANMQFI-INIZCTEOSA-N 338.473 1.523 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@H]1C[C@@H]1C)n2CC 5113238 SNIPDBZSWYNCGT-QWRGUYRKSA-N 348.403 1.406 0 40 EDAB CCn1ccnc1N1CCN(CC(=O)Nc2ccccc2C)CC1 11695743 SZSZQLBYTFOKPB-UHFFFAOYSA-N 327.432 1.972 0 40 EDAB O=C(CCCN1C(=O)CNC1=O)OCc1nc(-c2ccccc2)no1 12810798 RDMXAJRNCPXQPH-UHFFFAOYSA-N 344.327 1.112 0 40 EDAB Cc1ccc(CNC(=O)CN2CCN(c3nccn3C)CC2)cc1 13694366 TWORHUPCIIARFV-UHFFFAOYSA-N 327.432 1.167 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16029211 BSKHPQYOXPNHRS-GXTWGEPZSA-N 338.363 1.837 0 40 EDAB biogenic CSc1nc(N2CCOCC2)c2c(c1C(N)=O)CC(C)(C)OC2 19118214 JVRMHZCXQKYRSF-UHFFFAOYSA-N 337.445 1.590 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 225808180 JFARJQGQNXMULC-LLVKDONJSA-N 330.344 1.644 0 40 EDAB Cc1cc(CN2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)no1 1888849791 MLTKKZFGRHEMGE-HOTGVXAUSA-N 325.368 1.600 0 40 EDAB CN(C)c1cc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)ncn1 1889099084 MBEQKQSOZBGBAO-CYBMUJFWSA-N 335.477 1.334 0 40 EDAB CCOCC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840597 OJDDQUAFOZKMRN-QGZVFWFLSA-N 336.363 1.197 0 40 EDAB Cc1cc(N2CC[C@H]3CN(c4ccc(F)cn4)C[C@H]32)n2ncnc2n1 2087143843 HDOARHBSOMNYEX-GXTWGEPZSA-N 339.378 1.682 0 40 EDAB O=C(CC1(O)CCC1)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 1565545935 SAIMCQYTUSNYTN-UHFFFAOYSA-N 334.460 1.933 0 40 EDAB CC(=O)c1cc(C(=O)N2CCC3(CC2)C[C@@H](N(C)C)CCO3)n[nH]1 1565554155 SDFHISBLMAGYNG-ZDUSSCGKSA-N 334.420 1.328 0 40 EDAB CC(=O)N1N=C(C)C[C@]12CC[C@H]1CN(C(=O)CC3(O)CCC3)C[C@@H]12 1565556224 ZJWZEEZTXOPIIO-MPGHIAIKSA-N 333.432 1.527 0 40 EDAB O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(F)cc1F 4941439 JVUVJYYHWQUVTC-LLVKDONJSA-N 340.326 1.705 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nnc(-c2ccco2)o1 13792853 DJLXCSYFCFXSIF-VIFPVBQESA-N 340.361 1.082 0 40 EDAB CCc1ccc(S(=O)(=O)NCC2CCN(CCOC)CC2)s1 23127575 OCMVWFJDJOKLER-UHFFFAOYSA-N 346.518 1.947 0 40 EDAB Cn1ncc2c(N3CC[C@@](F)(C(=O)Nc4cccnc4)C3)ncnc21 2086866029 JATAYOUINJHOQL-INIZCTEOSA-N 341.350 1.315 0 40 EDAB COC(=O)Cn1nc(C(C)C)c2cnn(-c3ccccc3)c2c1=O 12228926 UTQFUDDVXAAWQG-UHFFFAOYSA-N 326.356 1.879 0 40 EDAB NCCn1nc([C@H]2CCN(C(=O)C[C@H]3C=CCC3)C2)c2nccnc21 19404338 YUWHSGZSRVJYKT-KBPBESRZSA-N 340.431 1.457 0 40 EDAB NC(=O)Nc1cccc(C(=O)OCCn2c(=O)oc3ccccc32)c1 30779275 BCIJKSKTMDZQIK-UHFFFAOYSA-N 341.323 1.942 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)c1ccc(Cn2ccccc2=O)o1 40489004 YWRVZBXSIKZXFT-CQSZACIVSA-N 329.400 1.704 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)c2cnn(-c3ccccc3)c2)CC1 40497302 LDJQFQDPHOWQHA-UHFFFAOYSA-N 348.428 1.026 0 40 EDAB COc1ccc(-c2nnc(NC(=O)c3c(C(=O)O)cnn3C)o2)cc1 20615006 OIMFDHAUUNFYBW-UHFFFAOYSA-N 343.299 1.429 0 40 EDAB Cn1c(O)cc(=O)nc1SCC(=O)Nc1ccc(Cl)cc1 101480022 GBKNLKLOEUDUDV-UHFFFAOYSA-N 325.777 1.870 0 40 EDAB CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccn(C)n1 52528095 XFPPMAKQYONZBS-INIZCTEOSA-N 330.388 1.578 0 40 EDAB CCCNC(=O)[C@@H](C)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 52659643 USXMDRNVJLGPCI-OAHLLOKOSA-N 347.459 1.490 0 40 EDAB CN(C)c1nc(N)nc(CSc2nnc(N3CCCC3)s2)n1 52912668 RLSVFENEBIFPHU-UHFFFAOYSA-N 338.466 1.264 0 40 EDAB Cn1nnc2cc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)ccc21 103788516 BIPBPUWYTFKMHW-CYBMUJFWSA-N 326.360 1.596 0 40 EDAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)o1 42626872 QWHMFFXAEBHIBK-SNVBAGLBSA-N 336.369 1.958 0 40 EDAB COC(=O)c1nn(-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1O 142849 CDBJAEOIVRHONM-UHFFFAOYSA-N 328.328 1.162 0 40 EDAB O=C(c1cccnc1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 76514345 ZGRQECSUBIOHKC-QGZVFWFLSA-N 341.411 1.279 0 40 EDAB Cc1noc(-c2cccnc2N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)n1 78415493 PQGJURNYRHDADM-FZMZJTMJSA-N 327.388 1.745 0 40 EDAB CC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F 78875425 IRSSBHYSENAPBM-LLVKDONJSA-N 344.408 1.831 0 40 EDAB COc1nc(=O)n([C@H]2CCCCO2)cc1I 1638369 GLBHNHZDYNZSGI-MRVPVSSYSA-N 336.129 1.556 0 40 EDAB CCOc1c(Cl)cc(C(=O)N2CCN(CCO)CC2)cc1OC 75572224 BZOYHGFLUKWSGN-UHFFFAOYSA-N 342.823 1.497 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1 4171048 WNPKRAKYKGQIFY-UHFFFAOYSA-N 332.389 1.330 0 40 EDAB CCOC(=O)c1csc(NC(=O)CSc2nnnn2CC)n1 4411202 LRJQHTVITLSINN-UHFFFAOYSA-N 342.406 1.057 0 40 EDAB COc1cc(N2CC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)ncn1 107786329 GUMYCVTZIYWLJF-DYVFJYSZSA-N 342.403 1.149 0 40 EDAB Cc1c(CC(=O)N2CCO[C@H]3CCC[C@H]32)nnn1-c1ccccc1 57359062 VXQWOJKCQBHELA-SJORKVTESA-N 326.400 1.898 0 40 EDAB CN(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccc2c(c1)OCCO2 48252697 ULLHGEUYMINJCZ-UHFFFAOYSA-N 347.415 1.610 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(O)CC2)c(Br)c1 35612104 BIIMAEFEQRNKQI-UHFFFAOYSA-N 334.235 1.903 0 40 EDAB CCN(C(=O)[C@@H](C)Nc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 57891680 NZDJUIYFULZRJH-OLZOCXBDSA-N 340.445 1.531 0 40 EDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)N1CCCCCC1 10031863 GKEUWTOXJHSZAX-HNNXBMFYSA-N 329.400 1.552 0 40 EDAB CO[C@H]1CCCC[C@@H]1OC(=O)Cc1csc(N2CCNC2=O)n1 44734196 WYJMITZGRNOEFH-RYUDHWBXSA-N 339.417 1.716 0 40 EDAB COC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 58133263 DPUFAUUFYQNUGI-ZBFHGGJFSA-N 344.411 1.984 0 40 EDAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100184813 GENUUNAQQVCPOX-VGWMRTNUSA-N 327.336 1.731 0 40 EDAB CN(CC(=O)Nc1cc(CC2CCCCC2)n[nH]1)S(C)(=O)=O 58218545 MBBATWMNHJHIFC-UHFFFAOYSA-N 328.438 1.362 0 40 EDAB Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H]1CCS(=O)(=O)C1 44908047 QZBYDXJOZLZMFT-CQSZACIVSA-N 346.452 1.945 0 40 EDAB C[C@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)N(C)c1ccccc1 44941532 GOAWRXTWUMOITD-UKRRQHHQSA-N 339.461 1.052 0 40 EDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCSCC1 44954939 XKWKANBDLNLJRO-INIZCTEOSA-N 331.441 1.791 0 40 EDAB COc1ccccc1OCCN(C)Cn1nc2ccccn2c1=O 44979309 UFMAQQVQLONKMY-UHFFFAOYSA-N 328.372 1.473 0 40 EDAB COc1cc2oc(=O)c(CC(=O)NCCC(=O)O)c(C)c2cc1OC 2123866 HWEHCJQCUPPMFT-UHFFFAOYSA-N 349.339 1.252 0 40 EDAB biogenic Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)c2c(C)noc2C)C3)n1 107710236 LVRWJENVDFTVBM-MLGOLLRUSA-N 332.360 1.556 0 40 EDAB C[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)[C@H]1CCCO1 27853359 RCRPYVXSULTXHX-XJKSGUPXSA-N 327.384 1.589 0 40 EDAB COc1ccccc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 58393982 SLWWCNVYSQWCLU-OAHLLOKOSA-N 331.416 1.250 0 40 EDAB Cc1cccc(NC(=O)[C@H]2CCCN(CC(=O)N[C@@H](C)C3CC3)C2)n1 58406942 DFYOCYQCRNLUNT-HOCLYGCPSA-N 344.459 1.955 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2sc(NC3CC3)nc2C)CC1 36365046 JETGZWUVDULNGS-UHFFFAOYSA-N 338.433 1.940 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)COc2ccc(C)cc2)c2ccccc2O1 29767353 JKVIPSAPLPCZNJ-QGZVFWFLSA-N 340.379 1.914 0 40 EDAB C[C@H](CCn1cncn1)NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 110697393 SSMJNXTVFZJLTG-VXGBXAGGSA-N 348.373 1.335 0 40 EDAB COC(=O)CCC(=O)NC(=S)Nc1sc(C)c(C)c1C(N)=O 2697828 NKNMHYWYHRTWCN-UHFFFAOYSA-N 343.430 1.230 0 40 EDAB aggregator C[C@@H](NC(=O)N(CCc1ccccc1)CCN(C)C)c1nncn1C 46962963 AXDJOPTXDIBBAZ-OAHLLOKOSA-N 344.463 1.692 0 40 EDAB COCCOc1c(Cl)cccc1NC(=O)NCC(=O)N(C)C 66968054 PCDFEFBMKGRODE-UHFFFAOYSA-N 329.784 1.575 0 40 EDAB O=C(COc1cccc(C(=O)O)c1)NC[C@@H]1COc2ccccc2O1 13035460 LVWXNBRKKKCZOG-CQSZACIVSA-N 343.335 1.720 0 40 EDAB CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)c2ccccc2)n1 5075238 LVBNMOLNZKNAGW-UHFFFAOYSA-N 331.397 1.771 0 40 EDAB CCNC(=O)NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 6110252 OHTFGFLFDJAKMQ-VIFPVBQESA-N 348.428 1.429 0 40 EDAB C[C@H](NC(=O)NCCC(=O)N1CCOCC1)[C@H](C)c1ccccc1 83184850 CBMGYLIANAVYCT-GJZGRUSLSA-N 333.432 1.727 0 40 EDAB CC(C)=CCS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 65222848 RRGUZKCPVCCSOD-UHFFFAOYSA-N 347.458 1.945 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NCCc2ccc3c(c2)OCO3)C1 65454008 VKXXDCOGNYTIBV-AWEZNQCLSA-N 333.388 1.268 0 40 EDAB COc1cc(CNC(=O)CN2CCO[C@H](C)C2)cc(OC)c1OC 14093410 JAVPFLBKQIESER-GFCCVEGCSA-N 338.404 1.049 0 40 EDAB O=C(Nc1ccnn1C[C@@H]1CCOC1)[C@H]1COc2ccccc2O1 65554329 ANNZSQXBOUVLPF-SWLSCSKDSA-N 329.356 1.698 0 40 EDAB O=C1c2ccccc2C(=O)N1CCn1nnc(-c2ccc(F)cc2)n1 5492105 MOINYAJFIVPSRD-UHFFFAOYSA-N 337.314 1.775 0 40 EDAB CCOc1ccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 66484680 MNLYDOMYIKOKPR-KRWDZBQOSA-N 346.427 1.939 0 40 EDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccccc1O 5785449 BWDAIBSRKNFQBK-MRXNPFEDSA-N 341.363 1.866 0 40 EDAB Cc1c(CNC(=O)Nc2cnn(CCN3CCCCC3)c2)cnn1C 91169275 XRLZMQRDTYDODF-UHFFFAOYSA-N 345.451 1.733 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1n[nH]c2ccccc12 8153183 MNPHMIOFGUCWNO-ZDUSSCGKSA-N 347.371 1.424 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC[C@H](C(F)(F)F)C1 71794653 LFEOWARUXORBBZ-UTUOFQBUSA-N 335.370 1.373 0 40 EDAB C=C1c2ccccc2C(=O)N1CC(=O)N1CCCC[C@@H]1C1OCCO1 69292802 GMTAUPSVKCTHFD-MRXNPFEDSA-N 342.395 1.867 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNCc1cccc(C(=O)N(C)C)c1)CN2 69328794 KSMPKJAAGFQTIF-HNNXBMFYSA-N 327.432 1.725 0 40 EDAB Cc1cc(C)n(Cc2cccc(C(=O)NCCCn3cncn3)c2)n1 69393810 YXFLZDAQAFCNRH-UHFFFAOYSA-N 338.415 1.960 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cccn1Cc1cccnc1)C2 69489220 ZGFDCHRPZBWSLF-UHFFFAOYSA-N 336.399 1.741 0 40 EDAB COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1cnc(C)cn1 69519125 ZJDKJKJQDXBITJ-QGZVFWFLSA-N 329.356 1.526 0 40 EDAB COC(=O)c1ccc(CN2C(=O)N[C@](C)(c3ccccn3)C2=O)cc1 69565575 CYWHVRLXFJVAAM-GOSISDBHSA-N 339.351 1.835 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCO)c(C)c1 69698618 AYUFPSICIAQOGS-UHFFFAOYSA-N 348.424 1.826 0 40 EDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1OC 9577051 FYTPIBKFLBJMLO-QWHCGFSZSA-N 340.470 1.786 0 40 EDAB Cc1cc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)sc1Br 92006855 BRIQQWKPBKOSHZ-SCZZXKLOSA-N 333.251 1.894 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 71847052 QFAZYAQXMACCAF-UONOGXRCSA-N 349.435 1.841 0 40 EDAB NC(=O)C1CCN(c2ncccc2CNC(=O)c2ccsc2)CC1 71847567 OLVKLDBLNNHNLB-UHFFFAOYSA-N 344.440 1.775 0 40 EDAB CC(C)(C)c1nnnn1CN1CCN(C(=O)c2cccs2)CC1 71817108 GJQMUUVWLJEHCS-UHFFFAOYSA-N 334.449 1.448 0 40 EDAB CCOc1ccc(N2C[C@H](C(=O)NC(C)(C)C(=O)OC)CC2=O)cc1 23152440 MPDDJLVJTPENQO-GFCCVEGCSA-N 348.399 1.506 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CCCS(=O)(=O)c1ccccc1 71819401 RGQUCDKEIKEKIA-UHFFFAOYSA-N 336.413 1.715 0 40 EDAB CCN(C(=O)[C@@H](C)N1CCO[C@H](CN(C)C)C1)C1CCCCC1 69969399 XMUJPBXLIAPURI-NVXWUHKLSA-N 325.497 1.819 0 40 EDAB Cc1ccc(CCNC(=O)N2CCC[C@H](CN3CCOCC3)C2)cn1 69954350 VUNSJLSMMXAJBA-GOSISDBHSA-N 346.475 1.686 0 40 EDAB COCCN1CCN(C[C@H](O)c2cccc(Br)c2)CC1 69925278 AYDGCJDVEXOMJN-HNNXBMFYSA-N 343.265 1.747 0 40 EDAB O=C(CCCNc1ncccn1)N1CCCC[C@H]1Cn1cccn1 69971806 GVRCMVCVHDAZAO-HNNXBMFYSA-N 328.420 1.947 0 40 EDAB CC[C@H]1CN(C(=O)CN2CCC(c3nnc4n3CCC4)CC2)CCO1 71830894 BYFSDTLGIURNDN-HNNXBMFYSA-N 347.463 1.041 0 40 EDAB CS(=O)(=O)NCCCN1CCC[C@H](c2nc3ccccc3[nH]2)C1 71892920 JSRMPOHPVPFZIC-ZDUSSCGKSA-N 336.461 1.682 0 40 EDAB O=C(NCCn1cccc1)C(=O)Nc1ccc(C(F)(F)F)nc1 95445968 BSWMJSPLANUHAS-UHFFFAOYSA-N 326.278 1.657 0 40 EDAB CC1(NC(=O)c2ccc(CNS(C)(=O)=O)o2)Cc2ccccc2C1 92613076 JQEJLDCXBCYUAF-UHFFFAOYSA-N 348.424 1.616 0 40 EDAB Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NC[C@H]1CCCO1 71920071 PBFXYWPGGDXQOF-OAHLLOKOSA-N 347.415 1.768 0 40 EDAB COc1cc(C(=O)NCCN2CCC(CO)CC2)cc(OC)c1C 84028366 ZFAGHWFQDYGNDB-UHFFFAOYSA-N 336.432 1.446 0 40 EDAB Cc1nc2n(c1CCNC1=NS(=O)(=O)c3ccccc31)CCCC2 97922864 OKDYIBWXPZFMCQ-UHFFFAOYSA-N 344.440 1.809 0 40 EDAB O=C(c1nc(=O)[nH][nH]1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 72277966 CLNJOAQOMFSTJP-UHFFFAOYSA-N 329.335 1.738 0 40 EDAB Cc1nc(CCNC(=O)[C@@H]2CCOc3ccccc3C2)cc(=O)[nH]1 95523001 XPBYIHZWKOWLNV-CQSZACIVSA-N 327.384 1.378 0 40 EDAB Cc1nnc2ccc(N3CCC(OC[C@@H]4CCCCO4)CC3)nn12 84297089 ZQIQZIQMSYOVOJ-HNNXBMFYSA-N 331.420 1.987 0 40 EDAB Cc1ccc2n1CCN(C(=O)CCn1nc3ccccn3c1=O)[C@@H]2C 84210051 VZIWHVOQYFQELT-CQSZACIVSA-N 339.399 1.599 0 40 EDAB O=C(NCc1ccc(Br)cc1)NC[C@H]1COCCO1 84403138 DQRDXWLPEPEKAF-LBPRGKRZSA-N 329.194 1.664 0 40 EDAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3cocn3)CC2)c1C 95948364 JQEAZMCDJIYNBX-UHFFFAOYSA-N 342.399 1.688 0 40 EDAB Cc1cc(CN2CCN(C(=O)Nc3ccc(=O)n(C)c3)CC2)on1 95955674 PMLOVJUGJGRFFT-UHFFFAOYSA-N 331.376 1.031 0 40 EDAB Cc1ncccc1C(=O)N1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 95998233 FEMRRIHGQBWKGI-QGZVFWFLSA-N 344.459 1.547 0 40 EDAB N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCc3c(O)cccc32)cc1 74710865 WPPYMZJZAHHEDM-HNNXBMFYSA-N 336.351 1.895 0 40 EDAB CNC(=O)c1nn(Cc2nnc(C3CCC3)o2)c(=O)c2ccccc12 89391718 UULUOLPBSAISQC-UHFFFAOYSA-N 339.355 1.455 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2COc3ccccc3O2)c1C 9951995 HVSCZHQFUMPSLN-GFCCVEGCSA-N 344.367 1.988 0 40 EDAB COc1c(C(=O)N2CCN([C@H](C)C(F)(F)F)CC2)c(C)nn1C 75104374 LEAWTLMAFHRSBY-SNVBAGLBSA-N 334.342 1.446 0 40 EDAB Cc1cnn(C2CN(CC(=O)NCCOc3cccc(F)c3)C2)c1 75132544 NZJOYZXLHSPGAL-UHFFFAOYSA-N 332.379 1.383 0 40 EDAB Cc1cc(CN2CCN(c3cc(NCC4CC4)ncn3)CC2)on1 89608675 BDWGMTKSWARYNK-UHFFFAOYSA-N 328.420 1.917 0 40 EDAB CC(C)Cc1ccc(C(=O)CCC(=O)N2C[C@@H](O)C[C@@H]2C(N)=O)cc1 89856505 AFMMJOBGZDMGAT-JKSUJKDBSA-N 346.427 1.295 0 40 EDAB Cc1nnsc1C(=O)NCCCN1CCN(c2ccccc2)CC1 38592770 PWZGRPKSFWZOQW-UHFFFAOYSA-N 345.472 1.789 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 408602804 IZUWHVXLCQULQR-UHFFFAOYSA-N 342.461 1.838 0 40 EDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)C(=O)O 218207593 IJSYYZNIRUEONY-SCVCMEIPSA-N 348.218 1.132 0 40 EDAB O=C(NCCCn1ccnn1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 128154226 DABFKUXHLZCACM-HZPDHXFCSA-N 329.404 1.888 0 40 EDAB Cc1n[nH]cc1S(=O)(=O)N(C)[C@@H](C(=O)O)c1ccc(F)cc1 547924485 CPAOVGTUZOPVMU-GFCCVEGCSA-N 327.337 1.304 0 40 EDAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NC[C@H]1CCCO1 38756212 JOUQGUAMUCFJJM-WDEREUQCSA-N 335.429 1.064 0 40 EDAB CNc1nc(N2CCC(C(N)=O)CC2)nc2c1C(=O)CC(C)(C)C2 20673138 RHSISNPKJYSMQD-UHFFFAOYSA-N 331.420 1.375 0 40 EDAB Cc1oc(CNS(=O)(=O)c2ccc3c(c2)ncn3C)cc1C(=O)O 541927044 ASUPRCIKLHWEJY-UHFFFAOYSA-N 349.368 1.651 0 40 EDAB O=C(O)[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218038931 YTXLMGAZTPAPGW-YQQAZPJKSA-N 332.377 1.690 0 40 EDAB CC(=O)N1CCN(Cc2cc(-c3ccccc3)cn3nnnc23)CC1 72392295 HRNHWBDOOJWTTI-UHFFFAOYSA-N 336.399 1.455 0 40 EDAB CCOCCCNC(=O)C1CCN(c2nc(C)cc(OC)n2)CC1 35315742 CJLSUHMAAVZHEQ-UHFFFAOYSA-N 336.436 1.553 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)[C@@H](C)N2CCc3ccccc3C2)C1 78928781 ZFCWCUIECYZSCY-PBHICJAKSA-N 345.443 1.780 0 40 EDAB CC(C)(Oc1ccccc1)C(=O)N1CCC(Cc2nn[nH]n2)CC1 1548805263 WGWNNNQOIKWYCH-UHFFFAOYSA-N 329.404 1.838 0 40 EDAB CN1C(=O)CCc2cc(S(=O)(=O)N3CCSCC3)ccc21 72264751 CUFLNQDBTBDHDC-UHFFFAOYSA-N 326.443 1.333 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)N2c3ccccc3C[C@H]2C)s1 36182939 OMPIJPJZQKQOEN-MRVPVSSYSA-N 338.414 1.636 0 40 EDAB O=C(CN1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1)NC1CC1 36389548 MPGAFIAKFNDNME-UHFFFAOYSA-N 341.455 1.602 0 40 EDAB COCCN(CC(F)F)C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C 78441157 SZJPBTAPOVROJC-RYUDHWBXSA-N 335.395 1.699 0 40 EDAB CCn1cc(C(=O)OCCCn2nnc(-c3ccccc3)n2)cn1 79350747 JOPQRXOXLNUKBK-UHFFFAOYSA-N 326.360 1.804 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)cn1C 31665174 RPRGFXXFOGZWGG-UHFFFAOYSA-N 333.413 1.526 0 40 EDAB CCCNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 39986227 JTXAJRQAYOYPJX-UHFFFAOYSA-N 334.825 1.495 0 40 EDAB O=S(=O)(Cc1ccccc1F)c1nnc(N2CCOCC2)s1 77536914 HXQQQUOMTCXYPD-UHFFFAOYSA-N 343.405 1.488 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)c1ccccc1-n1nnnc1C 72402405 XKTCJFBNOZFDMR-UHFFFAOYSA-N 325.376 1.251 0 40 EDAB Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H](C(C)C)C1(CO)CCC1 564383726 XVVIDSOAYUDXED-ZDUSSCGKSA-N 344.433 1.152 0 40 EDAB CCNC(=O)[C@H]1CCCN(c2cncc(-n3nc(C)cc3C)n2)C1 78979749 JJXFZNCKBUOYHJ-AWEZNQCLSA-N 328.420 1.632 0 40 EDAB CCCCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1 225954451 XJDKENQNMMWAOO-CQSZACIVSA-N 328.434 1.592 0 40 EDAB Nc1c(C(=O)NC2CCS(=O)(=O)CC2)ccnc1-c1ccccc1 225555735 JMWZTLYEZYNBFA-UHFFFAOYSA-N 345.424 1.638 0 40 EDAB COc1cccc(NC(=O)COc2c(C)n(CCO)ccc2=O)c1 44889946 LINOAFGAOHVJJN-UHFFFAOYSA-N 332.356 1.175 0 40 EDAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCO 222833787 ZXUGYEZTALYSIK-GFCCVEGCSA-N 326.824 1.822 0 40 EDAB Cn1ccc(NC(=O)NCC2(CN3CCOCC3)CCCCC2)n1 83560941 FCJZBPLEYKFDFY-UHFFFAOYSA-N 335.452 1.824 0 40 EDAB Cn1cc(C(=O)N2CCOC[C@H]2c2nc(-c3cccs3)no2)cn1 225684669 LIKDSSLEJXZTSO-NSHDSACASA-N 345.384 1.745 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccco2)s1 224828476 FLQBSOKOLNXQDH-UHFFFAOYSA-N 344.418 1.391 0 40 EDAB O=C([C@@H]1CCc2[nH]cnc2C1)N1CCC(Oc2ncccn2)CC1 225514574 OHWNJSCHXZZTPF-GFCCVEGCSA-N 327.388 1.375 0 40 EDAB COc1ccc(S(=O)(=O)N2CCO[C@H]3[C@@H](OC)CC[C@@H]32)cc1 96041931 PDDPWKTZULVRMY-SOUVJXGZSA-N 327.402 1.262 0 40 EDAB O=C(c1ccnnc1)N1CC[C@]2(CCCN(Cc3ccccn3)C2)C1 96158064 CVGSLCGVRCORKM-IBGZPJMESA-N 337.427 2.000 0 40 EDAB COC(=O)C[C@H](c1ccccc1)c1c(O)cc(C)n(CC(=O)O)c1=O 96221967 QOCYIHZXASHQDD-CYBMUJFWSA-N 345.351 1.642 0 40 EDAB biogenic COc1ncccc1CN1CC[C@H]2C[C@H](C(=O)NCC3CC3)O[C@H]2C1 96043149 LHWOYBORJQMYAT-UAGQMJEPSA-N 345.443 1.596 0 40 EDAB CCc1nncn1CCNC(=O)N1CCO[C@H](Cc2ccccc2)C1 96494012 XDBGNDPEWXARPT-MRXNPFEDSA-N 343.431 1.494 0 40 EDAB O=C(/C=C/c1ccc(Cl)cc1)N[C@H]1CCN(C[C@H]2CNC(=O)O2)C1 585087839 WNYFJSAVKFUSOZ-STJXIEADSA-N 349.818 1.652 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccco1)C2 96237711 MXKJYWRPMWPXGX-LJQANCHMSA-N 339.395 1.843 0 40 EDAB Cc1cc(N2CC[C@H](n3ccnn3)C2)n2nc(C(F)(F)F)nc2n1 585092469 YRKLZEVKNJNHOP-VIFPVBQESA-N 338.297 1.494 0 40 EDAB Cc1ccc(C)n1-c1c(C(=O)NCc2nncn2C2CC2)cnn1C 96405448 GQIIUDKGMXICMD-UHFFFAOYSA-N 339.403 1.684 0 40 EDAB CCCNC(=O)CN1CCC(NC(=O)N2C[C@H]3CC=CC[C@@H]3C2)CC1 96439070 LUAQKSHWHHCCOA-HZPDHXFCSA-N 348.491 1.585 0 40 EDAB Cc1nn[nH]c1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 583617995 SDNVDLGZDJSAMX-SECBINFHSA-N 342.325 1.885 0 40 EDAB Cc1noc(C)c1CN1CCC[C@]2(C1)CN(c1ncccn1)CCO2 96074928 PCQSJXXCRPPITF-SFHVURJKSA-N 343.431 1.953 0 40 EDAB COc1ncccc1C(=O)N1CC[C@@H](OC)[C@H]2CN(CC3CC3)C[C@H]21 96108568 BTHIIIATXWQLRT-GVDBMIGSSA-N 345.443 1.662 0 40 EDAB O=C(C1CCOCC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccncc1 96058010 XCSPAMGKJPVZPE-RCCFBDPRSA-N 346.427 1.783 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3[C@H](Cc4n[nH]c(C)n4)OC[C@H]3C2)on1 96208419 IQEPSUGITIAAIH-UPJWGTAASA-N 331.376 1.129 0 40 EDAB CCn1nc(C)cc1C(=O)N1CC[C@H]2OCC[C@@]2(c2nnc(C)o2)C1 97953374 WYTSHNYJDYPSNT-RHSMWYFYSA-N 345.403 1.476 0 40 EDAB CC1(C)CCCN[C@@H]1C(=O)NC1CCN(Cc2cccnc2)CC1 333316081 SUSHKDGALRMQIP-QGZVFWFLSA-N 330.476 1.940 0 40 EDAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCc2n[nH]c(=O)cc2C1 238882691 PNUDUWZQYDNLFI-ZWNOBZJWSA-N 347.802 1.864 0 40 EDAB OCCn1ncc2c(NCc3ccc(-c4ccn[nH]4)cc3)ncnc21 97199678 AKXNBSCQUDVCQH-UHFFFAOYSA-N 335.371 1.821 0 40 EDAB Cc1cnc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2ccccn2)cn1 96041869 JCAVAAZUBNDQKY-ZMSDIMECSA-N 340.383 1.631 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3cnc4ccccc4c3)CC2)n[nH]1 582166288 NQQRSRODKNRXBI-UHFFFAOYSA-N 336.399 1.619 0 40 EDAB O=C(c1cc(C2CC2)on1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96206327 BQURBFZVDDUYMQ-WMLDXEAASA-N 331.416 1.735 0 40 EDAB Fc1cccc(CN2Cc3nccn3C[C@@H](CN3CCOCC3)C2)c1 96067007 QGLWJJHCUGEGER-KRWDZBQOSA-N 344.434 1.986 0 40 EDAB COc1ccc(CN2C[C@H]3CN(C(=O)c4cnccn4)C[C@H]3C2)cc1 96053966 BSHRQPAGCFEBQU-IYBDPMFKSA-N 338.411 1.689 0 40 EDAB O=C(c1ccc(F)cc1)[C@@H]1CCCN(CCC(=O)N2CCOCC2)C1 96414968 UUOAAITVINAGJF-MRXNPFEDSA-N 348.418 1.969 0 40 EDAB O=C(c1ccncc1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 247859710 MEULSLYXXBOEPM-HNNXBMFYSA-N 325.368 1.929 0 40 EDAB CN(C)c1nccc(CNC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)n1 539419089 GYWHLUMKALJTAJ-ZDUSSCGKSA-N 345.447 1.340 0 40 EDAB C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)[C@@H](C)C1 249155241 WKUXRZXMSSYCKP-BPQOCRPUSA-N 328.456 1.804 0 40 EDAB Cn1cnc2c1[C@H](C(=O)N1CC=CC1)CN(CCc1ccccc1)C2 248055689 SIKAFHXLBHTHGR-QGZVFWFLSA-N 336.439 1.960 0 40 EDAB CN(C)c1cnc(C[C@@H]2CCCN(C(=O)c3ccnnc3)CC2)cn1 257281617 OQDFSAOPOADYFX-CQSZACIVSA-N 340.431 1.818 0 40 EDAB NCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1F 257213932 CJTKAKBRSUGCGD-AWEZNQCLSA-N 329.379 1.877 0 40 EDAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cc(C)no3)C2)ncn1 257217872 DAYQGDXMEGAGCR-KRWDZBQOSA-N 345.403 1.185 0 40 EDAB Cc1ccn(CCC(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)n1 257202306 ALFHDFDWPFORBQ-IRXDYDNUSA-N 344.415 1.408 0 40 EDAB O=S(=O)(NCCn1ccnc1)c1cccc(Br)c1 25673254 HPNBYGICNBPWOW-UHFFFAOYSA-N 330.207 1.624 0 40 EDAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cscn3)C2)ncn1 257285284 PGLDMKOUZCVVKF-INIZCTEOSA-N 347.444 1.345 0 40 EDAB CN1CCCN(C(=O)c2cccn(Cc3ccccc3F)c2=O)CC1 257231153 GFNMVOGFSLHTSV-UHFFFAOYSA-N 343.402 1.813 0 40 EDAB Cc1nn(C)cc1C(=O)N(C)C[C@@]1(O)CCCN(c2ccccn2)C1 257314305 UWIIOUNWBJUASW-SFHVURJKSA-N 343.431 1.227 0 40 EDAB C[C@H]1CN(c2nnc3ccc(Br)cn23)C[C@H](C)S1=O 596208647 UQFOVFUJDKHFQA-IUCAKERBSA-N 343.250 1.838 0 40 EDAB CCn1c(=O)nc(O)c2c1ncn2CC(=O)c1ccc(C)cc1C 1615570876 CWVBHXZJFVQSRP-UHFFFAOYSA-N 326.356 1.818 0 40 EDAB C[C@@H](C(=O)N1CCCc2c(OCC(N)=O)cccc21)c1cnn(C)c1 1615589668 FWMOBGJXRVPXQK-GFCCVEGCSA-N 342.399 1.367 0 40 EDAB Cc1cc(C(F)(F)F)nc(NCc2cn([C@H]3CCOC3)nn2)n1 1615615887 YTKAUISGTDLJDH-JTQLQIEISA-N 328.298 1.969 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1Cn1ccnn1 1616034605 PWKSITVIVRUOBC-TZMCWYRMSA-N 338.408 1.873 0 40 EDAB CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 96098228 UZQHHFFEYZABRL-UHFFFAOYSA-N 339.385 1.163 0 40 EDAB COCCNC(=O)C[C@@H]1CN(Cc2nccs2)Cc2cccn2C1 585099120 NFJXUHTVJLEFFO-CQSZACIVSA-N 348.472 1.729 0 40 EDAB CO[C@]1(COc2ccccc2)CCN(C(=O)c2cc(O)nc(C)n2)C1 585276616 OKRDZLUAXQASDK-GOSISDBHSA-N 343.383 1.801 0 40 EDAB O=C(CC1(O)CCC1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 585108765 AKGPFNUHUXXNAB-XYJFISCASA-N 346.427 1.662 0 40 EDAB O=C(CCCn1cncn1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 585280106 AJTCYVLPVZOZPZ-SJORKVTESA-N 328.416 1.510 0 40 EDAB CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2cc3n(n2)CCCC3)C1 685938870 DNZKTJDISYWENQ-OAHLLOKOSA-N 326.466 1.122 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)c2cnc(C)s2)s1 69352137 SSNHMWDWYCJKBO-UHFFFAOYSA-N 331.444 1.351 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2sccc2C2CC2)CC1 71881922 NMWVIQHRNQREKV-AWEZNQCLSA-N 338.473 1.781 0 40 EDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@@H]1c1ccccc1Cl 44978093 ANDAZVKRAHKATO-CQSZACIVSA-N 344.864 1.767 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(c2cc(O)nc(O)n2)CC1 1775995504 ZMRFHLTVIZNFBL-UHFFFAOYSA-N 328.372 1.088 0 40 EDAB Cc1cc(C)c2c(OCC(=O)NC[C@H](O)C(F)(F)F)nn(C)c2n1 75092726 BMKZCNCKWCHHEE-VIFPVBQESA-N 346.309 1.003 0 40 EDAB Cc1cc(NC(=O)NC[C@@H](C)Cn2cccn2)ccc1-n1cnnn1 57764711 FTVNJMOTVWTVDR-GFCCVEGCSA-N 340.391 1.625 0 40 EDAB CCc1ccc([C@@H](CNC(=O)N2CCO[C@@H](CO)C2)N(C)C)cc1 78832540 DIEGUQWUXHILGJ-IAGOWNOFSA-N 335.448 1.254 0 40 EDAB CN1CCN([C@@H](Cc2cccc(Br)c2)C(=O)O)CC1 84761948 DHXGXYYCGUPYAH-ZDUSSCGKSA-N 327.222 1.692 0 40 EDAB O=S(=O)(c1cccs1)N1CCC(N2CCC[C@H]2CO)CC1 96099739 OCDNMKIRJKEEDU-ZDUSSCGKSA-N 330.475 1.358 0 40 EDAB O=C([C@H]1CCCN(c2ncnc3c2CCCC3)C1)N1CCOCC1 674748912 ZNZTUXQRWNNVKA-AWEZNQCLSA-N 330.432 1.431 0 40 EDAB CC(C)(O)CC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615118036 ACWNKKVWKFJWQG-LJQANCHMSA-N 346.427 1.572 0 40 EDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(F)c(F)c1 5215971 IVJGUCKBVPOYIK-UHFFFAOYSA-N 337.303 1.992 0 40 EDAB O=C1[C@H]2[C@H](CN[C@@]23C(=O)Nc2ccccc23)C(=O)N1Cc1ccccc1 11851491 JDMJJGKWPZNOCL-GQWAEJPESA-N 347.374 1.239 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NC(C)(C)C 16322857 CVIOOGBJFOJNLF-UHFFFAOYSA-N 348.852 1.884 0 40 EDAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2C(=O)CCn1ccnc1C 19712350 TYSQFDAGEULGIW-SJORKVTESA-N 332.448 1.974 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCO[C@@](C)(C(=O)NC3CCCC3)C2)n1 19746846 ZMSGYBCAYKDZSV-GOSISDBHSA-N 348.447 1.176 0 40 EDAB O=C1COc2ccc(Cl)cc2CN1CCNS(=O)(=O)C1CC1 238887535 QFZDQYYQVSGIMO-UHFFFAOYSA-N 344.820 1.143 0 40 EDAB CN1CCN([C@H](CNC(=O)c2cccc(F)c2)c2cccn2C)CC1 21152837 WSNJQAOLUAWLNV-GOSISDBHSA-N 344.434 1.883 0 40 EDAB COc1cc(C(=O)OCC(=O)NC2CCCC2)cc(OC)c1OC 4966457 OFTHCOXKBMRZPS-UHFFFAOYSA-N 337.372 1.928 0 40 EDAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)NC(N)=O 5753470 ARVDRUIBPQRCHG-SNVBAGLBSA-N 341.367 1.854 0 40 EDAB COCC(=O)N1CCN(c2nc(O)c(F)c(-c3ccccc3)n2)CC1 1888876422 JHCMVVGYTMUURK-UHFFFAOYSA-N 346.362 1.283 0 40 EDAB COCCN1CCN([C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)CC1 2037963997 UJQZGZQHLDXRCR-XUVXKRRUSA-N 348.487 1.920 0 40 EDAB O=C1CC2(CCN(Cc3cc[nH]n3)CC2)Nc2ccccc2CN1 2037981143 WSJHMLFXXFNDLX-UHFFFAOYSA-N 325.416 1.876 0 40 EDAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(C(=O)c3ccccn3)[C@@H]2CN1 2037984623 HOKOYDVHXCISGH-QGPMSJSTSA-N 337.379 1.205 0 40 EDAB COc1ccccc1C(=O)N1CC[C@@H]2OCC(=O)N(C(C)C)C[C@H]2C1 2037985727 UCZINVUEUIHJPE-ZBFHGGJFSA-N 346.427 1.793 0 40 EDAB CO[C@@H]1CNC[C@H]1NC(=O)c1cc(Cl)ccc1Br 1548448134 NFXZVHYIELSPLF-GHMZBOCLSA-N 333.613 1.819 0 40 EDAB CCc1ccc(C(=O)N2C[C@H]3ON=C(C(=O)N4CCCC4)[C@H]3C2)cn1 1565552607 OZFPOERINACPIK-LSDHHAIUSA-N 342.399 1.093 0 40 EDAB COCCO[C@@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1Cc1ccccc1 1565555991 STTSWMADFNXHCC-OKZBNKHCSA-N 333.428 1.898 0 40 EDAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC(n2nccn2)C1 1565519313 DHNFLYHUULOISG-UHFFFAOYSA-N 348.306 1.422 0 40 EDAB O=C1Cc2cc(C(=O)N3C[C@@H]4OCCN(CC5CC5)[C@@H]4C3)ccc2N1 1565547327 IQYBXSXZELYPSP-SJORKVTESA-N 341.411 1.116 0 40 EDAB O=c1c2cc3c(cc2[nH]c(=S)n1CCN1CCOCC1)OCO3 425082 NVOTTYYMEIBPJA-UHFFFAOYSA-N 335.385 1.120 0 40 EDAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)C2CCOCC2)C1 2055747177 NVEYTVHOGAPHRM-SFHVURJKSA-N 349.406 1.381 0 40 EDAB O=S(=O)(N[C@@H]1CCN(c2nccs2)C1)c1c(F)cccc1F 206818508 BBVXZJNXDPUCTM-SECBINFHSA-N 345.396 1.979 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC(N2C(=O)CSC2=O)CC1 206979723 FVUJFAWFXLPCKK-UHFFFAOYSA-N 348.380 1.715 0 40 EDAB Cc1cc(C(=O)NCCn2nc(-c3cccs3)ccc2=O)no1 42379702 NLAJUONUYMUZFY-UHFFFAOYSA-N 330.369 1.698 0 40 EDAB O=c1c2[nH]c3ccc(F)cc3c2ncn1CCCN1CCOCC1 19939865 PJRYFKFXJKRKRF-UHFFFAOYSA-N 330.363 1.739 0 40 EDAB CCOc1ncccc1CNC(=O)c1cnc2n(c1=O)CCS2 30308302 RBOBHZAVYDOUFI-UHFFFAOYSA-N 332.385 1.073 0 40 EDAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCCOc1ccc(F)cc1)CS2 30480977 ROKYHJDCOFXQGT-CJNGLKHVSA-N 338.404 1.775 0 40 EDAB CC(C)c1ncc(Cl)c(C(=O)N[C@@]2(C(=O)O)CCSC2)n1 50364483 NSGYWSRKKMSRCD-ZDUSSCGKSA-N 329.809 1.944 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCCCN1CCCC1=O 40476247 VMNLHVZSVVNCAX-AWEZNQCLSA-N 347.415 1.480 0 40 EDAB C[C@@H](NC(=O)COC1CCCC1)c1ccc(S(N)(=O)=O)cc1 40553251 VBTUKZUDLLWNCH-LLVKDONJSA-N 326.418 1.470 0 40 EDAB CN1[C@H]2CCC[C@H]1CC(NC(=O)NCCNC(=O)C1CCCC1)C2 101364573 LJVVGRDCBMSJHR-HOTGVXAUSA-N 336.480 1.607 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc2ccccc2[nH]1 102267058 USLOXHJUIXUOKO-RYUDHWBXSA-N 338.367 1.843 0 40 EDAB COc1ccc(OCCN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 52799214 FIFULTUJJJIUGR-UHFFFAOYSA-N 343.387 1.176 0 40 EDAB O=C(NCc1cccnc1OC1CCCC1)[C@@H]1CCS(=O)(=O)C1 41426980 ABVBIOSXJHVWSU-CYBMUJFWSA-N 338.429 1.454 0 40 EDAB O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2cccc(F)c2)n1 103155222 KRGONKNMLGXJML-MQYQWHSLSA-N 342.330 1.132 0 40 EDAB Cc1cccc(OCC(=O)N2CCN(C(=O)c3ccncc3)CC2)c1 181900 NDDJJROCLPATNY-UHFFFAOYSA-N 339.395 1.753 0 40 EDAB CN(C)c1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)O)cc1 195904 ZMGGISOVWBGHSC-HNNXBMFYSA-N 331.372 1.917 0 40 EDAB OCNc1nc2c3ccccc3nc(CCN3CCCCC3)n2n1 357612 FIIMAKTWWXFJND-UHFFFAOYSA-N 326.404 1.668 0 40 EDAB CN(C)c1ccccc1CN1CCCC[C@@H]1C(=O)N1CCOCC1 72602303 VYMKLRBTCKKOGO-GOSISDBHSA-N 331.460 1.966 0 40 EDAB O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1ccc(N2CCNC2=O)cc1 78888874 ZOJWIUJADMWDPN-CVEARBPZSA-N 339.399 1.936 0 40 EDAB O=C1C[C@H](c2ccccc2)C(=O)N2C(=O)C[C@H](c3ccccc3)C(=O)N12 1666975 MUMLFTKWDZBKOC-HZPDHXFCSA-N 348.358 1.987 0 40 EDAB Cc1sc2nc(SCCS(C)(=O)=O)n(C)c(=O)c2c1C 47824223 SUWFAGIWFPJFDK-UHFFFAOYSA-N 332.472 1.749 0 40 EDAB CC1(C)NC(=O)N(CCCC(=O)NCC2(c3ccccc3)CC2)C1=O 54746289 SOQLQQGZVYIAKO-UHFFFAOYSA-N 343.427 1.945 0 40 EDAB COc1cccc(CNn2nnnc2N)c1OCc1ccccc1 7602422 POVDDJIIOZEDHF-UHFFFAOYSA-N 326.360 1.587 0 40 EDAB CCN(CC)C(=O)[C@H](C)Nc1ccc(N2CCCS2(=O)=O)cc1 42854966 DLGMMGSUBLOHFT-ZDUSSCGKSA-N 339.461 1.895 0 40 EDAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2cccnc2)CC1 105879564 DOKZCPXAKKFTFK-OFQRWUPVSA-N 349.456 1.351 0 40 EDAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)NCC(=O)NC1CC1 55045287 HZHALFHBCJPWGX-SNVBAGLBSA-N 336.413 1.349 0 40 EDAB COCCn1ccc(NC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)n1 106518949 VAZFGGTZEBTKRJ-IJEWVQPXSA-N 338.452 1.602 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)C[C@H]1N1CCOCC1 107058012 ADRAXMSXDBPEKS-HYVNUMGLSA-N 330.428 1.417 0 40 EDAB O=C(Cn1ccccc1=O)NCc1ccc(C(=O)N2CCCC2)cc1 21347862 RDFAWRYRKQQMSP-UHFFFAOYSA-N 339.395 1.401 0 40 EDAB C[C@@H](c1ccccc1)N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1 26280143 SVGZXSJRJTWJGN-ZDUSSCGKSA-N 339.461 1.813 0 40 EDAB CC1CCN(CCNC(=O)C2CCN(c3ncccn3)CC2)CC1 57213432 BXKPJWRDOMLFEU-UHFFFAOYSA-N 331.464 1.541 0 40 EDAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@@H](CC(C)C)C1=O 3297381 MMIZGSXCQFVCQE-ZDUSSCGKSA-N 333.388 1.990 0 40 EDAB O=C(O)c1ccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1909001 KIJKDQLYGMLKRM-UHFFFAOYSA-N 336.321 1.924 0 40 EDAB CN(C)C(=O)c1cccc(CSc2nnnn2C[C@H]2CCCO2)c1 58158890 LKVAQTLXLDOZRE-CQSZACIVSA-N 347.444 1.846 0 40 EDAB CCOC(Cn1cc(C(=O)NCCc2ccccc2)nn1)OCC 58174450 VUUMEURJQWWEPQ-UHFFFAOYSA-N 332.404 1.650 0 40 EDAB CC(C)[C@H](C)NC(=O)C1CCN(CC(=O)NCc2ccco2)CC1 58291822 YMIWYMDWFFFCBF-AWEZNQCLSA-N 335.448 1.769 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC2CCCC2)cc1C(N)=O 58211426 BZVYTHGHWSIKAU-UHFFFAOYSA-N 326.418 1.605 0 40 EDAB CC[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(N)=O 58292825 GHLLGCRAGUGALX-SECBINFHSA-N 347.322 1.917 0 40 EDAB C[C@@H]1CN(CCNC(=O)NCc2cccnc2N(C)C)C[C@@H](C)O1 44953771 BROIMODZKMSGPV-ZIAGYGMSSA-N 335.452 1.056 0 40 EDAB CN(C)c1cc(C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)ccn1 58306256 BLGXBTSPENLHFN-HOTGVXAUSA-N 333.432 1.948 0 40 EDAB C[C@H]1CN(CCNC(=O)NC[C@H]2COc3ccccc3C2)C[C@@H](C)O1 48197258 QPRMJCPQOWLZQA-XHSDSOJGSA-N 347.459 1.646 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N[C@@H](C)c1cccc2ccccc12 48231690 ADBJWUXTUZHYJS-LBPRGKRZSA-N 327.384 1.269 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC[C@H](c2nncn2C)C1 48273256 MOYVIGXLGNXZSW-HEHGZKQESA-N 342.399 1.750 0 40 EDAB Cc1ccn(-c2ccc(C(=O)N[C@@H]3CCc4nnc(C)n4C3)cc2)n1 97198565 IQFSHZGOJJKUHN-OAHLLOKOSA-N 336.399 1.825 0 40 EDAB Cc1nnc(S[C@@H](C(=O)NC(N)=O)c2ccccc2)n1C1CC1 12778723 PICDXCMEXOTSAI-GFCCVEGCSA-N 331.401 1.950 0 40 EDAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)nc21 28426455 SQHCGBFKPGGPJP-NWDGAFQWSA-N 342.399 1.274 0 40 EDAB CCOC(=O)[C@@](O)(NC(=O)c1c(F)cccc1F)C(F)(F)F 2311857 AJMGRVNPFWCABU-NSHDSACASA-N 327.205 1.509 0 40 EDAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(O)nn1 36688692 GIUJCXQYDZZZKX-UHFFFAOYSA-N 327.388 1.495 0 40 EDAB CCCN(CCC)S(=O)(=O)NC1CCN(c2ncccn2)CC1 48375333 CEKLOOQZQVNJAL-UHFFFAOYSA-N 341.481 1.402 0 40 EDAB COC(=O)[C@](C)(NC(=O)c1cnc(C)cn1)c1cc(F)ccc1F 60371031 KNECUJRCRPHPOE-MRXNPFEDSA-N 335.310 1.881 0 40 EDAB CC[C@H](c1nnc(SCCNCCO)n1-c1ccccc1)N(C)C 2655154 DNOIYAVSOTUVGU-OAHLLOKOSA-N 349.504 1.954 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cn2cc(Cl)cn2)o1 27982095 SZRXSURQQOAHCW-SNVBAGLBSA-N 343.792 1.095 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)[C@H](Cc1ccccc1)n1cnnn1 48431397 YNPMLDDVUNOYGL-HOTGVXAUSA-N 329.404 1.342 0 40 EDAB CCC(CC)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3563620 WYZCJHVWKWFQTP-GOSISDBHSA-N 329.400 1.685 0 40 EDAB Cn1c(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)nc2ccccc21 72300819 UNQVBBXOJBDCBE-KZULUSFZSA-N 341.415 1.383 0 40 EDAB O=C(O)c1csc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 13305448 CQNURGIUZYASML-UHFFFAOYSA-N 341.366 1.654 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl 6052574 LCUNQSHOBAGRJM-UHFFFAOYSA-N 326.761 1.912 0 40 EDAB Cc1cccc(C2(C(=O)OCc3cc(=O)n(C)c(=O)n3C)CC2)c1 65019752 DFPFYCVJOPARSG-UHFFFAOYSA-N 328.368 1.167 0 40 EDAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC3CCCC3)[C@@H]4C2=O)no1 9302574 IFVLHOGIVFTUQH-MJXUCMMTSA-N 343.383 1.328 0 40 EDAB CCCCNC(=O)CN1CCN(CC(=O)Nc2ccc(C)cc2)CC1 22928608 LDOHXYSKBYQJIA-UHFFFAOYSA-N 346.475 1.467 0 40 EDAB CCOc1ccc(C(=O)N2CCN(c3nccc(OC)n3)CC2)cn1 65465794 WNZPDHMGVIPTEY-UHFFFAOYSA-N 343.387 1.241 0 40 EDAB COc1ccc([C@H](C)NC(=O)Nc2cnn(CC(N)=O)c2)cc1F 65410670 FNTWWUJIQQXDIP-VIFPVBQESA-N 335.339 1.399 0 40 EDAB C[C@H](NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)NC1CCCC1 65575499 UXLANMQXHSPHET-IETSOEAISA-N 339.461 1.004 0 40 EDAB CC[C@H]1CN(C(=O)CCn2nc(-c3cccs3)oc2=O)CCO1 65575433 BUVVJCNFRGJVEM-NSHDSACASA-N 337.401 1.592 0 40 EDAB O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCC1 14122449 RBWCUFFLYRIXEQ-UHFFFAOYSA-N 348.468 1.808 0 40 EDAB CCOC(=O)C(Cc1c[nH]c2ncccc12)(NC(C)=O)C(=O)OCC 22058682 CWXWWNREJHXTSJ-UHFFFAOYSA-N 347.371 1.107 0 40 EDAB in-vitro NC(=O)CCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 14200479 QJBPMODGZWNZIM-UHFFFAOYSA-N 336.745 1.751 0 40 EDAB O=C(COc1ccc(Cl)cc1Br)Nn1cnnc1 4721955 CDOWTVVYCBCKIZ-UHFFFAOYSA-N 331.557 1.843 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)NS(=O)(=O)NCc1ccco1 6755167 HIBZSMYPKVJNIQ-UHFFFAOYSA-N 333.369 1.834 0 40 EDAB O=C1CN(C(=O)CN2CCC(N3CCCC3)CC2)c2ccccc2N1 66534027 HJPNQBHLCICJRP-UHFFFAOYSA-N 342.443 1.532 0 40 EDAB O=C(CN1CCN(C(=O)N2CCCCC2)CC1)NCc1ccccc1 71794082 PWQDGLXBAJZTLD-UHFFFAOYSA-N 344.459 1.526 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)N2CCCC2)CC1 67141776 RCPXYYCULVTZEA-UHFFFAOYSA-N 339.436 1.372 0 40 EDAB C[C@H](C(=O)N1CCN([C@H](C)C(N)=O)CC1)c1cc2ccccc2o1 96451302 VNSPRQYJXFKMCW-QWHCGFSZSA-N 329.400 1.554 0 40 EDAB CCCNC(=S)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 15480056 JOLNKAIAIIKYMQ-GFCCVEGCSA-N 348.472 1.967 0 40 EDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 9547821 XNNZOYJCCGBPBD-UONOGXRCSA-N 342.461 1.959 0 40 EDAB NC(=O)[C@H]1CN(C(=S)NCCc2ccccc2)c2ccccc2O1 7558387 MSVHYZRWDJWCEK-MRXNPFEDSA-N 341.436 1.857 0 40 EDAB CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCc2cc(C(C)(C)C)ccc21 71896116 GGWPHUIHUYICJK-OAHLLOKOSA-N 345.443 1.643 0 40 EDAB Cc1ncc(CNC(=O)CNC(=O)c2ccc(F)c(F)c2)s1 71886007 NVIGMITVIMSYDF-UHFFFAOYSA-N 325.340 1.776 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2ccccc2)CC1 68634364 BTEDRJWIRSRIIU-GJZGRUSLSA-N 332.448 1.821 0 40 EDAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)NC[C@@H]2CN(C)CCO2)cc1 71879306 JGLHBDOEXPPBKB-HDMKZQKVSA-N 333.476 1.735 0 40 EDAB COc1cc(CNC(=O)Cc2ccc(F)cc2)ccc1OCC(N)=O 71814861 OBWBFQRVSMCJFD-UHFFFAOYSA-N 346.358 1.557 0 40 EDAB O=C(C[S@](=O)Cc1ccc(-n2cccn2)cc1)NCC(F)(F)F 71857608 CEIYNVPESAOEEL-QHCPKHFHSA-N 345.346 1.800 0 40 EDAB CCn1ccnc1CN1CCN([C@@H](C)C(=O)Nc2nccs2)CC1 69444486 RQPPGENWKOGUIP-ZDUSSCGKSA-N 348.476 1.504 0 40 EDAB CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)Cc1ccc2c(c1)CCO2 69458386 PGCILXNZWXOHDM-OAHLLOKOSA-N 348.468 1.932 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3cn(-c4ccccc4)nn3)CCO2)c1 69436237 PJELGVSRWBFTES-GOSISDBHSA-N 338.415 1.673 0 40 EDAB CN1CCc2nc(NC(=O)c3cnc4ccccn4c3=O)sc2C1 69443126 PDAMYWBBTWWMCJ-UHFFFAOYSA-N 341.396 1.391 0 40 EDAB C[C@@H]1C[C@@H](N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)C(=O)O1 69509186 CPRCNIQRLRFBDF-QMTHXVAHSA-N 340.782 1.941 0 40 EDAB O=C(Nc1ccc(-n2cnnn2)cc1)N1CCC[C@H]1CN1CCCC1 69592626 YOJMZVVKFORIBI-INIZCTEOSA-N 341.419 1.754 0 40 EDAB CCOCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1 17401426 PHOOGVFXNKKSPI-UHFFFAOYSA-N 328.434 1.368 0 40 EDAB CC(C)CN1C[C@H](C(=O)N2CCC(Nc3cccnn3)CC2)CC1=O 69655305 AHOUCLGKZKEAJV-CQSZACIVSA-N 345.447 1.384 0 40 EDAB CCCN(CCC)CCCC(=O)OCc1cc(=O)n(C)c(=O)n1C 69737815 JAWLCQVGQBUWPX-UHFFFAOYSA-N 339.436 1.029 0 40 EDAB CS(=O)(=O)NCCN1CCC(CCc2ccc(O)cc2)CC1 69878459 BMDZVAHXTGRLPD-UHFFFAOYSA-N 326.462 1.586 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)N(C)Cc3ccco3)C2)n1 69815326 MMXJCRSPRBQEGC-INIZCTEOSA-N 345.447 1.859 0 40 EDAB Cc1sc(=O)n(CCC(=O)NCCN2CCC[C@H](C)C2)c1C 69983074 QZNMPLYUVOXQAQ-LBPRGKRZSA-N 325.478 1.765 0 40 EDAB Fc1cccc(-n2ccc(CN3CCO[C@@H](Cn4cncn4)C3)n2)c1 69975913 AJUNRRXHBHUGGU-QGZVFWFLSA-N 342.378 1.504 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(CCOC)CCOC 69927044 PYFYHRSTSBZMOZ-CABCVRRESA-N 343.468 1.328 0 40 EDAB Cc1cc(C(=O)N2CC(OCC(=O)N(C)C)C2)nn1-c1ccccc1 72313207 NYMZKFGMLHJKTD-UHFFFAOYSA-N 342.399 1.110 0 40 EDAB Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H](N)C1 94870727 HIWGDPAXNGIEPM-QMMMGPOBSA-N 339.280 1.931 0 40 EDAB Cc1nc(N)nc(N2CCN[C@@H](c3ccccc3)C2)c1CCC(=O)O 95370312 WAWBAKRAVHIQJC-OAHLLOKOSA-N 341.415 1.535 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)N1CCC[C@@H]1c1ccco1 84689428 KNDNXGDQNJNEHX-JHJVBQTASA-N 341.433 1.247 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cnn(C)c1 95415744 XEIZTFXIQSHPLN-CJNGLKHVSA-N 347.463 1.962 0 40 EDAB CN1CC[C@@H](NC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1=O 95421930 RVBSXHJOILXPJX-VXGBXAGGSA-N 329.322 1.690 0 40 EDAB CCOc1nnc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)s1 95402725 AQMRATHTXYDSSA-VIFPVBQESA-N 336.421 1.138 0 40 EDAB C[C@H](C(=O)NCCc1nnc2ccccn12)N1Cc2ccccc2C1=O 95474918 PLGXUCZOOHWQEN-CYBMUJFWSA-N 349.394 1.433 0 40 EDAB C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)[C@@H](O)Cc1ccccc1 95434319 AJEOALZOBGKKKN-PXAZEXFGSA-N 339.395 1.589 0 40 EDAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CC[C@@H](CCO)C1 95979539 WIYSGQHBFQURJX-LBPRGKRZSA-N 333.354 1.836 0 40 EDAB CN1CCN(C[C@H](O)CN(C)C(=O)C[C@@H]2CCc3ccccc32)CC1 89382649 GWUXFQIDMYLXFZ-ZWKOTPCHSA-N 345.487 1.173 0 40 EDAB CN(Cc1ccoc1)C(=O)[C@H]1COCC(=O)N1Cc1ccccc1 89363785 NZUUBAWMZFGBGV-MRXNPFEDSA-N 328.368 1.666 0 40 EDAB C[C@H](O)CN1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 75132644 KYCHHXLIFFECSZ-SWLSCSKDSA-N 332.366 1.737 0 40 EDAB Cn1cc(N2CCN(C(=O)N[C@@H]3CCc4ccccc43)CC2=O)cn1 89755870 UEEWKDWQLIOPJT-MRXNPFEDSA-N 339.399 1.466 0 40 EDAB Cc1cc(C(=O)NCC(=O)NC[C@](C)(O)c2ccc(F)cc2)c(C)o1 89910551 IFIAEHFDFRABJY-SFHVURJKSA-N 348.374 1.789 0 40 EDAB C[C@H]1CCCN(C(=O)CN2CCNC(=O)C[C@@H]2c2ccccc2)C1 89929781 GFONCJXYWJNBFF-DOTOQJQBSA-N 329.444 1.808 0 40 EDAB COc1ccc(Br)cc1NC(=O)NCC[S@](C)=O 76069365 LXFHMOMCFRCPMY-GOSISDBHSA-N 335.223 1.958 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@@H]1C2 306123752 AVSCJEIGXWMWJL-GJZGRUSLSA-N 340.431 1.116 0 40 EDAB Cn1nc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1=O 24868696 GSWUFIDYKIOPAI-ZDUSSCGKSA-N 340.383 1.271 0 40 EDAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)C1=NO[C@@]2(CCCNC2)C1 1548547175 LSYIWNJAASUYSC-QBIMZIAESA-N 331.416 1.513 0 40 EDAB Cc1ccc(N2CCN(Cc3oc(CO)cc(=O)c3O)CC2)c(C)c1 61722164 FVGIKTURZHZZNZ-UHFFFAOYSA-N 344.411 1.777 0 40 EDAB COc1ccccc1/C=c1\s/c(=C\C(=O)c2ccco2)n(C)c1=O 32754886 KEXDRJXTVVVCDT-APGQMXJTSA-N 341.388 1.541 0 40 EDAB COc1cc2c(cc1O)CCN[C@@]2(Cc1ccc(O)cc1)C(=O)O 3847283 VZDPKTWMYYCQKK-GOSISDBHSA-N 329.352 1.775 0 40 EDAB biogenic C[C@@H]([C@H](O)c1cc2c(cc1Br)OCO2)N1CCOCC1 31624117 BVFGPUFWKJHUEU-XPTSAGLGSA-N 344.205 1.932 0 40 EDAB O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)NC[C@H]1CCCO1 35592809 AMLRXTINFRORGD-CQSZACIVSA-N 344.367 1.951 0 40 EDAB Cc1cc(Nc2cnccn2)nc([C@@H]2CCCCN2CC(=O)O)n1 72384663 WHDCPXDEZFNXSK-LBPRGKRZSA-N 328.376 1.930 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CC[C@H]2C)cc1 557767565 PPWVNVFYDWXFQX-UHIISALHSA-N 326.418 1.277 0 40 EDAB COc1ccc([C@H](CNc2nc(C(=O)O)co2)N(C)C)cc1OC 565037843 HOHCFFSRVGQOPW-LBPRGKRZSA-N 335.360 2.105 0 40 EDAB O=C(NCc1nnc2ccccn12)NC[C@@H]1COc2ccccc2O1 31028991 OHQXGIQLNGCKOP-GFCCVEGCSA-N 339.355 1.369 0 40 EDAB CCn1c(SC[C@@H](O)c2ccccc2)nnc1N1CCOCC1 32751092 ZZIWHVCCXBAMON-CQSZACIVSA-N 334.445 1.960 0 40 EDAB Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)n1 78987046 CVMDIUUMFCLGBQ-GHMZBOCLSA-N 332.326 1.340 0 40 EDAB COCCNC(=O)c1ccc(Cn2ncc3c2c(C)nn3C)cc1 41123880 YOBOBENTJYZLFW-UHFFFAOYSA-N 327.388 1.503 0 40 EDAB Cc1conc1NC(=O)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C 189084053 JBELUMGBPDJIQO-LBPRGKRZSA-N 331.376 1.636 0 40 EDAB O=S(=O)(C1CC1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 608023168 FZCMUKISSVSREN-UHFFFAOYSA-N 336.339 1.110 0 40 EDAB CCCCNS(=O)(=O)c1ccc(OCc2nnc(N)s2)cc1 222644215 BYROEDOBSGSKIB-UHFFFAOYSA-N 342.446 1.778 0 40 EDAB CC[C@]1(C)CN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CCO1 190603391 FMZZRBOYQFZJCD-WMLDXEAASA-N 335.452 1.599 0 40 EDAB CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccncc2)cc1 223309601 OIDQBSBLJDCHIN-UHFFFAOYSA-N 333.413 1.239 0 40 EDAB O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)[C@@H]1C[C@H]1c1ccco1 84838802 HVWLGKDBFBSPKW-ZIAGYGMSSA-N 338.429 1.456 0 40 EDAB CS(=O)(=O)CC[C@@H](N)C(=O)N1CC2(CCCC2)c2ccccc21 225476881 MNNUDCNUIOXFJO-CQSZACIVSA-N 336.457 1.607 0 40 EDAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 223272078 HPYHXYFQSWCFGY-UHFFFAOYSA-N 347.396 1.569 0 40 EDAB CC(C)[C@@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 225215200 SVBZTMOMQGNJPN-RISCZKNCSA-N 326.418 1.374 0 40 EDAB NC[C@@H]1CN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)CCCO1 574096322 QYXSZYNMURRAJD-SNVBAGLBSA-N 336.342 1.545 0 40 EDAB C[C@H]1C[C@H](C)CN(Cc2nnc(CN3C[C@@H](C)C[C@@H](C)C3)n2N)C1 225149014 YHKVRFMVWLJGQI-YHUYYLMFSA-N 334.512 1.948 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(COc3ccccn3)C2)no1 96109051 VLVOMXDVNGWDDZ-DYVFJYSZSA-N 329.356 1.546 0 40 EDAB CN(C)C(=O)CO[C@H]1CO[C@]2(CCN(Cc3cccc(F)c3)C2)C1 96072344 UBXRWUZKDUZISX-SJLPKXTDSA-N 336.407 1.664 0 40 EDAB Cn1cc([C@@H]2CC(=O)NC23CCN(C(=O)c2ccsc2)CC3)cn1 96199789 RSWJOIQYCOUQRE-AWEZNQCLSA-N 344.440 1.760 0 40 EDAB Cc1cc(C(=O)NCCN2Cc3cc(F)ccc3OCC2=O)no1 238815004 BFVCDUAVDOYLEC-UHFFFAOYSA-N 333.319 1.273 0 40 EDAB O=C(Nc1cnn(CC(F)F)c1)[C@H]1CC(=O)N(CC(F)(F)F)C1 96408618 KQOWEGSCLJYJLQ-ZETCQYMHSA-N 340.252 1.498 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2nccs2)Cc2ccnn2C1 96189065 NWSXQHYGFMJEHG-CYBMUJFWSA-N 349.460 1.076 0 40 EDAB CCc1ccc(CN2C[C@H](N3CCN(C)CC3)[C@@H]3OCCC[C@@H]32)o1 96185818 AJBKPWDEUOYFMV-GBESFXJTSA-N 333.476 1.821 0 40 EDAB CN(C)CCn1c2c(ccc1=O)C[C@H](NCc1cccnc1)CC2 96189641 WPNCGYQPZABPCC-QGZVFWFLSA-N 326.444 1.452 0 40 EDAB CN(C(=O)c1cnc2ccccn12)[C@@H]1CS(=O)(=O)c2ccccc21 96483735 KLKPLHJKLMRTNS-CQSZACIVSA-N 341.392 1.935 0 40 EDAB CN(C)CCN1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)CC1=O 96444593 NLPZMWZSOHXYSO-AGIUHOORSA-N 349.397 1.634 0 40 EDAB O=S(=O)(NCCc1nnc(-c2ccccc2)o1)N1CCCCC1 96475495 QYCAIBZLIQNOGM-UHFFFAOYSA-N 336.417 1.599 0 40 EDAB Cc1noc([C@H](C)NS(=O)(=O)c2c(C)csc2C(=O)O)n1 583750874 QVDCKVICBPWOQM-LURJTMIESA-N 331.375 1.486 0 40 EDAB Cc1nc(CN2C[C@@]3(CCN(c4cnccn4)C3)CC2=O)cs1 96239353 INUCRKXOMVNJEQ-INIZCTEOSA-N 329.429 1.871 0 40 EDAB CC(C)CN(C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)C1CC1 95397289 XPLMUGBKISSHDH-UHFFFAOYSA-N 342.399 1.680 0 40 EDAB Cc1ccc(N2C[C@@]3(CCN(S(=O)(=O)C4CC4)C3)CC2=O)cc1 96238467 WRSSGDOBJVUAPF-KRWDZBQOSA-N 334.441 1.916 0 40 EDAB COCCC(=O)N1CC2(C[C@@H](CCOc3ncccn3)CCO2)C1 247889694 SRTOYYNJBWUBJS-AWEZNQCLSA-N 335.404 1.290 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)c3ccnn3C)CCN2C(C)=O)cc1 257274883 NNASLOIJTQMWBN-KRWDZBQOSA-N 342.399 1.474 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N[C@H]2Cc3ccccc3N(C)C2)c[nH]1 585134910 OYQHDQKYEJAJEJ-LBPRGKRZSA-N 349.412 1.141 0 40 EDAB CN(C)C(=O)CN1CCC(NCc2cc3ccccc3n2C)CC1 585118165 FBXPRQCEKYOTNL-UHFFFAOYSA-N 328.460 1.821 0 40 EDAB CSc1ccc(Cl)cc1NC(=O)N1CCC(O)(C(N)=O)CC1 585119858 XNQNCSLZBQWDHQ-UHFFFAOYSA-N 343.836 1.906 0 40 EDAB COc1ccccc1[C@H]1CN(C(=O)c2cncnc2C)CCN1C 257297834 RIYMJUKCUSPLDX-MRXNPFEDSA-N 326.400 1.923 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257294485 QUKBERKAFZRPOW-HNNXBMFYSA-N 329.404 1.670 0 40 EDAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CC[C@@](O)(CN2CCCC2)C1 257265244 LXVUIPATZVVUQU-GOSISDBHSA-N 341.415 1.145 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 257307120 SXHRALDPPUPHRJ-HNNXBMFYSA-N 347.346 1.609 0 40 EDAB COc1cc(NC(=O)COc2c(C)nn(C)c2C)ccc1C(=O)O 262933265 LLGUNKFEYHKFIF-UHFFFAOYSA-N 333.344 1.761 0 40 EDAB O=S(=O)(C1CC1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678861 ODBBSXJJQCBIDQ-UHFFFAOYSA-N 333.413 1.965 0 40 EDAB CNS(=O)(=O)c1cccc(NC(=O)NCC(F)(F)F)c1C 285880144 IOCQGXXRUVVCBA-UHFFFAOYSA-N 325.312 1.587 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@H](C(=O)NCCc2cccs2)C1 575406629 ZJPFRWBFZDQBRF-HNNXBMFYSA-N 346.456 1.987 0 40 EDAB CCOc1ccccc1NC(=O)NCCOCCN1C(=O)CCC1=O 575621217 ZLXKOTOFWYJPRH-UHFFFAOYSA-N 349.387 1.372 0 40 EDAB COc1cccc(S(=O)(=O)NCCn2nc(C3CC3)ccc2=O)c1 575609069 RLSCJPSDGPEIEY-UHFFFAOYSA-N 349.412 1.108 0 40 EDAB CN1CCN(S(=O)(=O)c2cnnn2C)c2ccc(Cl)cc21 585123488 ODVNTVPKNNZQOI-UHFFFAOYSA-N 327.797 1.114 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)N2CC(F)(F)C2)C1 585095876 RFKJJGOVSXGFDF-RTXFEEFZSA-N 338.358 1.290 0 40 EDAB C[C@H]1CN(C2CCN(CC(=O)N(C)CC(F)(F)F)CC2)CCO1 66561390 PZOYMLCWCHSVEF-LBPRGKRZSA-N 337.386 1.192 0 40 EDAB CCCn1nc(C(=O)NCCc2ccc3c(c2)OCCO3)ccc1=O 31350914 GCCDQYWCLPLPFH-UHFFFAOYSA-N 343.383 1.397 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCc2ccc(Cn3ccnc3)cc2)C1 32935882 AZKRJBNBSJVLQU-HNNXBMFYSA-N 348.472 1.998 0 40 EDAB O=C(NCCCn1ccnc1)Nc1cc(C(F)(F)F)c[nH]c1=O 75123342 DZJZPHCKUVWVCF-UHFFFAOYSA-N 329.282 1.802 0 40 EDAB CN1C[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1=O 56251291 BKUXDISXMVIZJZ-ZDUSSCGKSA-N 334.391 1.468 0 40 EDAB Cn1c(=O)n(Cc2cscn2)c(=O)c2ccc(C(F)(F)F)nc21 89745406 NZCNQDIMZPXJRQ-UHFFFAOYSA-N 342.302 1.619 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(N3CCC[C@H]3CO)CC2)s1 96099743 QKICTYFMPDUCDL-AWEZNQCLSA-N 344.502 1.666 0 40 EDAB O=C1CN(C(=O)c2cnn(-c3ccccc3)n2)[C@H]2CCCC[C@@H]2N1 98019285 BYYGRYCWXGDLGJ-ZFWWWQNUSA-N 325.372 1.151 0 40 EDAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 12088714 MLMVBHXHSYWILD-AWEZNQCLSA-N 339.443 1.960 0 40 EDAB COc1ccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nn1 12444087 BRIZUNKJZHLKCV-UHFFFAOYSA-N 334.326 1.726 0 40 EDAB Cc1cc(NC(=O)Cc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 17011622 UQSNHHUOSVBDNT-AWEZNQCLSA-N 333.413 1.732 0 40 EDAB O=C(C[C@H]1CCCCO1)N1CCN(c2ncc3c(n2)CCOC3)CC1 19292452 JSGGOHJOAPURMN-OAHLLOKOSA-N 346.431 1.157 0 40 EDAB CCN1CCN([C@@H](CC(C)C)c2nnnn2C[C@H]2CCCO2)CC1 19527896 TUEIZGZBLUQOPI-CVEARBPZSA-N 336.484 1.577 0 40 EDAB COc1ccc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)cc1 19555586 IOTLPCSDABEIBU-UHFFFAOYSA-N 349.394 1.794 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NC[C@H]1CCCO1)=N[C@H]2c1cccnc1 101983214 UYGMGFSNXFXIQK-UKRRQHHQSA-N 340.387 1.044 0 40 EDAB CC1CCC(NC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)CC1 424166 LFEFPPCLUKGDRI-UHFFFAOYSA-N 329.400 1.775 0 40 EDAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)n1 390828649 SNPMJFNIMZUENS-AWEZNQCLSA-N 330.388 1.921 0 40 EDAB O=C(NC[C@]1(O)CCN(c2ccccn2)C1)c1n[nH]c2c1CCCC2 1848356240 BKJICWQGHKWWEL-GOSISDBHSA-N 341.415 1.055 0 40 EDAB COc1ccccc1S(=O)(=O)N[C@H]1CCN(C2CCOCC2)C1 1259304156 ACOQVGLVCHRIEY-ZDUSSCGKSA-N 340.445 1.227 0 40 EDAB Cc1nc(C)c(C(=O)N2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)o1 2037984892 QTUFQEGUKDSBKZ-GOSISDBHSA-N 349.431 1.924 0 40 EDAB CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1 2501647 JSCNAZZYZAVLHB-UHFFFAOYSA-N 331.351 1.433 0 40 EDAB C[C@H](C(=O)Nc1ccccc1)N1C(=O)c2ccccc2S1(=O)=O 4940694 JNEXHFGKHDLYBJ-LLVKDONJSA-N 330.365 1.858 0 40 EDAB CN(C)c1ccc(CCNC(=O)C(=O)NCCc2ccccc2)cc1 11693731 LEUNBXLEGPGBQA-UHFFFAOYSA-N 339.439 1.770 0 40 EDAB CS(=O)(=O)C1=C(O)C(=O)N(CCCC(=O)O)[C@@H]1c1ccccc1 22022937 FSJPDHBGNBBFDI-GFCCVEGCSA-N 339.369 1.249 0 40 EDAB COCCN1CCC(CNC(=O)C(=O)Nc2ccccc2C)CC1 23127367 QHTPDLMBECRWED-UHFFFAOYSA-N 333.432 1.408 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)Nc1cc(-n2cccn2)ncn1 206689414 QIFQQCRNKJIWNW-UHFFFAOYSA-N 336.311 1.209 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCOc1ccc(F)cc1 30131946 FDNIFLRUVYHSPQ-HUUCEWRRSA-N 348.374 1.496 0 40 EDAB CCC(=O)Nc1ccc([C@@H](C)NC(=O)NCC(=O)NC(C)C)cc1 31104028 QYAGLEGALFBCLA-GFCCVEGCSA-N 334.420 1.920 0 40 EDAB C/C(NCCCN(C)C)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 20332933 DCWYRHLJMBBZOD-WYMLVPIESA-N 336.436 1.213 0 40 EDAB COc1cccc(CN(C)C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 40496219 HVZYHKVTANSHGW-AWEZNQCLSA-N 340.445 1.325 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 100782848 BYQCVPVOMQHLMH-APYUEPQZSA-N 344.436 1.822 0 40 EDAB COc1cccc([C@@H]2CCCN2C(=O)CN2CCN(C(C)=O)CC2)c1 51152548 CRCXFKJNBBMSBS-SFHVURJKSA-N 345.443 1.523 0 40 EDAB O=C(CC(F)(F)F)NCCS(=O)(=O)N1CCc2ccccc21 40523121 LZEQZQMPUVWROB-UHFFFAOYSA-N 336.335 1.448 0 40 EDAB CN(CCCNC(=O)c1cc(-c2ccccc2)[nH]n1)S(C)(=O)=O 31957149 ZNGQUKPAXOPCLJ-UHFFFAOYSA-N 336.417 1.088 0 40 EDAB COc1cccc(CC(=O)NCCn2ncc3ccccc3c2=O)c1 40818900 KZXQCRUEJSACDU-UHFFFAOYSA-N 337.379 1.764 0 40 EDAB O=C1OCC[C@@H]1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52110488 HQCXOLIPTDARNO-ZDUSSCGKSA-N 326.755 1.552 0 40 EDAB CC(C)c1nnc(NC(=O)CSc2nnnn2-c2ccccc2)o1 32831934 YDSXIZFSFYOPSC-UHFFFAOYSA-N 345.388 1.900 0 40 EDAB C[C@H](N(C)CC(=O)NCc1ccc(OCC(N)=O)cc1)C(C)(C)C 52557686 QUPMUGYOKKNTQC-ZDUSSCGKSA-N 335.448 1.533 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN1C(C)=O)CC2 52834948 NAUSZGGMQXGPOK-OAHLLOKOSA-N 332.400 1.599 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CC[C@H]2CCCC[C@@H]2C1 53757959 SZZAOBQRYQGTNJ-ZIAGYGMSSA-N 341.411 1.729 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)NC[C@H](C)N1C[C@H](C)O[C@H](C)C1 47010337 DUAJHEBREBZVGJ-RWMBFGLXSA-N 338.452 1.931 0 40 EDAB O=C1c2sc3nc(=O)cnn3c2C(=O)N1c1ccc(Cl)cc1 113460 LEGBQUOKGBOCPZ-UHFFFAOYSA-N 332.728 1.605 0 40 EDAB COc1ccc(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)on2)cc1 12371008 DDEZFFVAMOKNST-NSHDSACASA-N 336.369 1.267 0 40 EDAB Cc1ccc(-n2nnnc2NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 54061004 NTKHKYUPDALUBY-KBPBESRZSA-N 344.419 1.409 0 40 EDAB O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 3609803 IQNZJPXOPJJVIH-UHFFFAOYSA-N 349.387 1.367 0 40 EDAB CCOCCCNC(=O)C(=O)Nc1cccc(Br)c1 6350658 XGRAPQULVPQIJA-UHFFFAOYSA-N 329.194 1.930 0 40 EDAB C[C@@H](c1ccc(F)c(F)c1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 24250381 HJVIIXHNKXIBTI-CMPLNLGQSA-N 346.399 1.261 0 40 EDAB O=C(NC[C@]1(COc2ccccc2)C[C@H](O)[C@H](O)C1)c1cccnc1 107430602 JIQQNZGPAJZEEM-IZZQQSIFSA-N 342.395 1.392 0 40 EDAB biogenic,in-vitro O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-n2ccnc2)nc1 24898555 CCLXTAGMOIQLKW-UHFFFAOYSA-N 346.350 1.616 0 40 EDAB C[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12537876 SJSOJXVJXWYDPF-SRVKXCTJSA-N 338.367 1.263 0 40 EDAB O=C([C@H]1CCCN(Cn2c(=O)oc3ccccc32)C1)N1CCOCC1 25473294 DKPROGKVVNZCIB-AWEZNQCLSA-N 345.399 1.123 0 40 EDAB CN(C)c1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cn1 102838442 ZPYUDSUDYJQSQW-BETUJISGSA-N 330.388 1.261 0 40 EDAB CNC(=O)c1cccc(CNC(=O)c2ccc(-n3cncn3)cc2)c1 25623087 LKYRJDOUOAMPQT-UHFFFAOYSA-N 335.367 1.557 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 43850133 JXYIZHQIMUCTGT-UHFFFAOYSA-N 339.438 1.911 0 40 EDAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NCCNC(=O)C1CC1)(C3)C2 43944972 DHMATCPXVNTCGG-BAUKFBFWSA-N 347.459 1.104 0 40 EDAB CCc1cccc(N2C[C@H](C(=O)NCCn3ccnc3)CC2=O)c1 44376167 ZTHJEHSIGCEMMZ-OAHLLOKOSA-N 326.400 1.615 0 40 EDAB CS(=O)(=O)CCCC(=O)N1CCN(c2ccccc2Cl)CC1 108671516 QYNXRARUYOTZMJ-UHFFFAOYSA-N 344.864 1.813 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)NC1=NS(=O)(=O)c2ccccc21 3290410 AMRKHPQZDARWPZ-ZDUSSCGKSA-N 330.365 1.421 0 40 EDAB CCOc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)ccc1OC 44719522 ZAJYYWADNNKVCI-NSHDSACASA-N 327.402 1.258 0 40 EDAB O=C(c1cnc2nc(O)[nH]c(=O)c2c1)N1CC[C@H]2CCCC[C@H]2C1 48163132 PBCDFTSDPYIBTB-MNOVXSKESA-N 328.372 1.676 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(-n3cccn3)cc2)C1 44970547 OXZAYELJYSVJHU-MRXNPFEDSA-N 341.415 1.682 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(Cn2ccccc2=O)o1 48262878 WDTRDWNOEOKADJ-AWEZNQCLSA-N 330.384 1.988 0 40 EDAB C[C@H](C(=O)NC[C@H](c1ccccc1Cl)N(C)C)S(C)(=O)=O 48249058 UBVKHYOSIIFLJW-ZWNOBZJWSA-N 332.853 1.492 0 40 EDAB CN(C)S(=O)(=O)c1ccc(COc2ccc(-n3cnnn3)cc2)o1 44944238 PVQYHUIXZXBATF-UHFFFAOYSA-N 349.372 1.085 0 40 EDAB CN(Cn1nc(-c2ccccc2)[nH]c1=S)[C@@H]1CCS(=O)(=O)C1 12792356 FSKMHHGKMPQXQY-GFCCVEGCSA-N 338.458 1.684 0 40 EDAB O=C(CCNC(=O)NCc1ccccc1)NCCc1ccccn1 28643524 CLMIAWZTUBWBJY-UHFFFAOYSA-N 326.400 1.630 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccccc1)C2=O 3370272 RNURKYPNQGCRKX-FZKQIMNGSA-N 329.400 1.804 0 40 EDAB CNC(=O)CN1CCC(NC(=O)C2(c3cccc(Cl)c3)CC2)CC1 46449432 BFSOMYZXEPBKSC-UHFFFAOYSA-N 349.862 1.698 0 40 EDAB Cc1cccc2c1cnn2CCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 57354925 KBEKONPYBDPEFW-ZDUSSCGKSA-N 335.429 1.380 0 40 EDAB CCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245295 OVCLMTOXMKZPNR-UHFFFAOYSA-N 331.413 1.355 0 40 EDAB CCn1ccc([C@@H](C)NC(=O)CCS(=O)(=O)c2ccccc2)n1 2731248 RQMZBUHNNGKAAH-CYBMUJFWSA-N 335.429 1.944 0 40 EDAB Cc1ccc(-n2nnnc2SCC(=O)NC[C@@H]2CCCO2)cc1 3499071 VOWKAPOOTYABDI-ZDUSSCGKSA-N 333.417 1.358 0 40 EDAB CC[C@@H]1CN(C(=O)CCNC(=O)c2ccccc2)CCN1CCOC 84736488 LVOLGAPVLFUEFQ-QGZVFWFLSA-N 347.459 1.376 0 40 EDAB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1 13479696 XHMZKHAIQJAUGK-UHFFFAOYSA-N 347.444 1.378 0 40 EDAB CCCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 49611653 DQPQPYVYDSRQDH-GJZGRUSLSA-N 345.486 1.406 0 40 EDAB O=C1CCC(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)=NN1 6452905 OVRAYZPTBNOKOV-UHFFFAOYSA-N 340.335 1.591 0 40 EDAB CC(=O)NCC(=O)NCC(=O)Nc1nc(C)c(-c2ccccc2)s1 66318070 ZLFRGWSPIAUPMA-UHFFFAOYSA-N 346.412 1.309 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 14862090 HQQDZVSUJPQIKL-UHFFFAOYSA-N 347.234 1.593 0 40 EDAB C[C@@H](SCc1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 9479617 UNOUSUFOAYTZIA-MFKMUULPSA-N 331.434 1.751 0 40 EDAB CN(C)[C@@H](C(=O)NCCC(=O)N1CCCC1)c1c(F)cccc1F 95436651 GSKGZGVZBCNMRS-MRXNPFEDSA-N 339.386 1.696 0 40 EDAB C[C@@H](NS(=O)(=O)c1cccc(Br)c1)c1nc[nH]n1 95454412 XEUZXOXGZDBQKO-SSDOTTSWSA-N 331.195 1.607 0 40 EDAB COc1ccc([C@H](CN2CCN(C)CC2)Nc2ncccn2)cc1 67448048 QQMZXBJKQDWGRG-KRWDZBQOSA-N 327.432 1.886 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CCC3)C1 67558668 WOEWDYHOQBBWNZ-OAHLLOKOSA-N 337.445 1.721 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 67792077 OGGZKZCHLAAOOZ-INIZCTEOSA-N 345.443 1.251 0 40 EDAB NC(=O)[C@H](CNC(=O)CCc1ccncc1)Cc1ccc(F)cc1 71841530 RCMNUFNRLGHLNH-HNNXBMFYSA-N 329.375 1.614 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@H]2Cn2cccn2)ccc1=O 71866215 WPTWCSRTGFJNLU-AWEZNQCLSA-N 329.404 1.545 0 40 EDAB CCc1nc(CC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cs1 71841498 ACTTWYIWPGGFFI-GFCCVEGCSA-N 349.431 1.848 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CC(C)C)CC1 8020617 OBULQCFWCJDNMA-UHFFFAOYSA-N 329.422 1.170 0 40 EDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1n[nH]c(=O)c2ccccc12 8216765 MNDPMNBXXINLFP-UHFFFAOYSA-N 333.311 1.151 0 40 EDAB Cc1nn(C)c(C)c1CN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cccnc1 69493020 XCTFKOGQSIJURK-RHSMWYFYSA-N 342.399 1.996 0 40 EDAB CC(C)[C@H](NC1CCOCC1)C(=O)NCCCOC[C@H]1CCCO1 71916784 ZTVRJUBWFXXXCS-SJORKVTESA-N 342.480 1.482 0 40 EDAB O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1=O)N1CCC[C@@H](CO)C1 71909621 BHBUNIGWVQMJLT-CZUORRHYSA-N 349.406 1.735 0 40 EDAB C[C@H]1CCCCN1C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 71927877 QHJFYSZSTFMIDB-ZDUSSCGKSA-N 349.456 1.982 0 40 EDAB C[C@H](C(=O)OCC(=O)NC1CCCCCCC1)N1CCOCC1 71921304 KUNCFOJMXOAAHY-CQSZACIVSA-N 326.437 1.479 0 40 EDAB CN(C)C(=O)CCCS(=O)(=O)Cc1noc(-c2cccs2)n1 69528145 IGAGZBKWSBXENI-UHFFFAOYSA-N 343.430 1.581 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cn1c(=O)oc2ccccc21 69518301 VAWOSBUAKSQIQL-KBPBESRZSA-N 329.400 1.680 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(Cc2ccn(-c3ccccc3)n2)C1 69531592 RNSJTKWRPHFNIT-OAHLLOKOSA-N 348.472 1.634 0 40 EDAB C[C@@H]1CN(c2ncnc3[nH]ccc23)CCN1c1ccc2nncn2n1 69667626 PLXVHXPRPFJYSK-LLVKDONJSA-N 335.375 1.111 0 40 EDAB Cn1ncc2c(=O)[nH]c(NCCOc3ccc4c(c3)CCC4)nc21 69738661 CWZFCDJKBVFFIQ-UHFFFAOYSA-N 325.372 1.636 0 40 EDAB Cc1cccc2nc(Cn3nnnc3CCc3ccccc3)cc(=O)n12 69921397 QZYMPIXNQLPHGG-UHFFFAOYSA-N 346.394 1.823 0 40 EDAB Cn1cc([C@@](C)(O)CNS(=O)(=O)c2cc(F)ccc2Cl)cn1 95433196 WNFDZGFROZZKFY-ZDUSSCGKSA-N 347.799 1.399 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 84012139 AHSRCOQROHUTHT-CXAGYDPISA-N 329.400 1.924 0 40 EDAB CC[C@@H]1C(=O)NCCN1C(=O)NCc1ccc(-n2cccn2)cc1 72270102 WXWJJKWBXLGYRJ-OAHLLOKOSA-N 327.388 1.292 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(CCOc3cccc(F)c3)CCO2)n1 72253495 QYNAGTSUTOBTKO-KRWDZBQOSA-N 334.395 1.814 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)c1cc(Cl)c3c(c1)OCO3)CC2 97199125 QKPVYEOOSVXZGL-SNVBAGLBSA-N 348.790 1.967 0 40 EDAB CN(C(=O)Cc1cc(F)ccc1F)[C@@H]1CCC[C@@H]1S(C)(=O)=O 85294409 XNLFETRYHUPWEG-KGLIPLIRSA-N 331.384 1.931 0 40 EDAB CCOC(=O)CN(CC)S(=O)(=O)N1CCc2ccccc2C1 97497291 YAZFZKABDZSTKG-UHFFFAOYSA-N 326.418 1.175 0 40 EDAB Cc1csc(CCCNCc2cnc(N3CCN(C)CC3)nc2)n1 89705521 RCGVPMMIIIWRDY-UHFFFAOYSA-N 346.504 1.716 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)NC[C@H](O)c1ccsc1 89853184 PCNVZWIEHWCJOX-ZDUSSCGKSA-N 329.385 1.251 0 40 EDAB C[S@](=O)Cc1cccc(C(=O)NCCc2nnc3n2CCC3)c1 75846956 SYIWISAGJURTST-HSZRJFAPSA-N 332.429 1.075 0 40 EDAB C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H]1N(C)C 76055967 GLKKBMUUKCKSFN-HZMBPMFUSA-N 344.864 1.766 0 40 EDAB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@H]1C=C[C@@]2(CO)O1 408917982 DRLMDZNDXXAERA-ZAZJYDDPSA-N 340.162 1.799 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2CCn3ccnc3C2)n[nH]1 547982845 CDSBEFNNHYQSOW-LBPRGKRZSA-N 339.403 1.368 0 40 EDAB O=C(NCc1ccc(Cn2cccn2)cc1)N1CCN(C2CC2)CC1 171629293 XPGBVPZBGIFOHE-UHFFFAOYSA-N 339.443 1.921 0 40 EDAB COC(=O)c1cn([C@H](Cc2ccccc2)C(=O)O)cc2c(O)nnc1-2 524729595 ZUFUEQJAOHLMAA-CYBMUJFWSA-N 341.323 1.744 0 40 EDAB biogenic CCOC[C@@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(F)cc1 218558247 FEULHMJOOJEMCV-OBJOEFQTSA-N 331.434 1.645 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)N[C@H]2c3ccccc3CCC[C@H]2C)CCO1 185616276 QPZQPQUDLRDULN-XOKHGSTOSA-N 345.443 1.857 0 40 EDAB O=C(NCc1cccs1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217737138 IMFOJNFLGHMPGI-ZIAGYGMSSA-N 345.424 1.593 0 40 EDAB COCCCNS(=O)(=O)c1ccc(NC2CC2)c(C(=O)O)c1 217600425 LGYLJTVWXDOBOT-UHFFFAOYSA-N 328.390 1.274 0 40 EDAB COc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1 72227669 ZRDYTUZRYKIIDL-SJORKVTESA-N 326.352 1.882 0 40 EDAB COc1ccc([C@@H]2CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)C2)cc1 72682718 HGGPWOSFQNXQQW-GXTWGEPZSA-N 340.445 1.627 0 40 EDAB O=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)NC[C@@H]1CCCO1 35315679 AXLPFBNFYOPEJV-AWEZNQCLSA-N 347.802 1.859 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(NC(=O)CCn2cccn2)cc1 36391306 LELYYUIOGZMYNF-UHFFFAOYSA-N 336.417 1.599 0 40 EDAB CCc1cccc(NC(=O)CN(C)[C@H](C)CS(=O)(=O)CC)c1 69696554 JSNAFMZWECRSCV-CYBMUJFWSA-N 326.462 1.943 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c1C 79358016 HLNJSQXCJLXZDJ-OAHLLOKOSA-N 340.427 1.796 0 40 EDAB O=C1N[C@]2(O)C(=O)c3ccccc3[C@]2(O)N1c1cccc(Cl)c1 39379196 ZYFGVOTWOJEPFK-JKSUJKDBSA-N 330.727 1.600 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccn2)cc1 33649530 CYUXTKJZXBJVIJ-GFCCVEGCSA-N 349.412 1.073 0 40 EDAB CC[C@H](CCNS(=O)(=O)c1cnn(C)c1C)n1cc(Cl)cn1 36614801 VCWNSPXYUYLPQS-GFCCVEGCSA-N 345.856 1.898 0 40 EDAB Cc1nn(C)c(C)c1CNS(=O)(=O)c1cnn(-c2ccccn2)c1 72238918 KGZOLJQVLODXOM-UHFFFAOYSA-N 346.416 1.096 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCCc1ccccc1 45954540 FCGHQVOPQLIUQT-UHFFFAOYSA-N 337.379 1.439 0 40 EDAB COc1ccc(N2C[C@H](C(=O)NCc3nc(C)no3)CC2=O)cc1 44454124 BCNPFCIKBMSYMI-LLVKDONJSA-N 330.344 1.056 0 40 EDAB CNC(=O)[C@@H](Cc1ccccc1)N1CCC[C@H]1C(=O)NCC1CC1 225401722 BDLRANITPJDKMR-DLBZAZTESA-N 329.444 1.334 0 40 EDAB biogenic,in-vitro C[C@@H](CNC(=O)NC1CCN(c2nccs2)CC1)Cn1cccn1 225573116 IQJAYZPVHRLVHL-ZDUSSCGKSA-N 348.476 1.944 0 40 EDAB C[C@@H](C(=O)NC1CCN(c2cc(C3CC3)[nH]n2)CC1)n1cccn1 225753788 DBLOVBQUCSIYAK-LBPRGKRZSA-N 328.420 1.830 0 40 EDAB CN1C(=O)C(=CNc2cc([N+](=O)[O-])ccc2Cl)C(=O)N(C)C1=O 47219383 PHMWUMQMCZRWSI-UHFFFAOYSA-N 338.707 1.594 0 40 EDAB COCCOc1ccc(CNC(=O)[C@H]2CCc3[nH]cnc3C2)cn1 225513597 KUTPTHBWAOWYQP-ZDUSSCGKSA-N 330.388 1.251 0 40 EDAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NCCC(=O)N(C)C 226853179 UUZYYDFADUCREJ-CYBMUJFWSA-N 330.388 1.234 0 40 EDAB COC(=O)CCCNC(=O)CCc1nc(-c2ccc(F)cc2)no1 41097394 VXLKACSOLSZRML-UHFFFAOYSA-N 335.335 1.878 0 40 EDAB COc1ccccc1OCC(=O)N1CC[C@@H](Oc2cccnn2)C1 225411045 YNJIAENTWMWWSV-CYBMUJFWSA-N 329.356 1.544 0 40 EDAB O=C(NCCN1CCCC1)c1nc2c(o1)CN(Cc1cccnc1)C2 96266017 GLSLAIZLZMGSMB-UHFFFAOYSA-N 341.415 1.411 0 40 EDAB COC(=O)C1(N[C@@H]2CCN(CC(F)(F)F)C2=O)CCC(C)CC1 96424470 JOYODTNPSOTUJS-IQLKVPPVSA-N 336.354 1.861 0 40 EDAB CN1CCN(CCNC(=O)N(C)CC(C)(C)O)[C@@H](c2ccccc2)C1 96462850 LNHZMXLEAPYGNM-QGZVFWFLSA-N 348.491 1.387 0 40 EDAB O=C(Cc1cccnc1)N1CCC[C@@]2(CCN([C@@H]3CCOC3)C2)C1 96158234 ZWHQRVWQUIRWGC-MJGOQNOKSA-N 329.444 1.728 0 40 EDAB COCCNc1ccnc([C@H]2COCCN2C(=O)C2=CCCCC2)n1 96219544 IBQVWYXQCFDZTD-OAHLLOKOSA-N 346.431 1.935 0 40 EDAB O=C(N[C@H]1CCC[C@H]1CO)c1ccc(CN2CCC(CO)CC2)cc1 96487148 OHLBVYUJKNKJSN-OALUTQOASA-N 346.471 1.782 0 40 EDAB COc1ccc(CN2CC[C@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)cc1 96185438 YEMLKOHEVFYUDA-RYQLBKOJSA-N 347.459 1.803 0 40 EDAB CC(C)N1C[C@@H](C(=O)O)CN2CCN(Cc3ccsc3)C[C@@H]2C1 96184922 JAQZOPBHHSIMFY-JKSUJKDBSA-N 337.489 1.659 0 40 EDAB CNC(C)(C)c1cn(Cc2cccc(S(=O)(=O)N(C)C)c2)nn1 585134376 QACKMINWWAXVQX-UHFFFAOYSA-N 337.449 1.031 0 40 EDAB Nc1cc(C(=O)NC2(CO)CCSCC2)cc(Br)n1 585121164 HOEBRBODOLRCLU-UHFFFAOYSA-N 346.250 1.414 0 40 EDAB CS(=O)(=O)CCCNC(=O)NCCc1c(F)cccc1Cl 96473422 YWUAIDKOLLFGSJ-UHFFFAOYSA-N 336.816 1.756 0 40 EDAB O=C(C1CCOCC1)N1CCc2ncc(CN3CCCCC3)n2CC1 96196901 DASPHVFWPKNVOB-UHFFFAOYSA-N 346.475 1.680 0 40 EDAB COc1ccccc1CN1C[C@@H]2COC[C@]2(CN2CCOCC2)C1 96108285 MGDRDKOCLCDIFY-MJGOQNOKSA-N 332.444 1.476 0 40 EDAB Cc1cc(CN2CCn3c(COCC(=O)N(C)C)cnc3[C@H]2C)no1 96109725 UBJDSOCVCZIDQP-CYBMUJFWSA-N 347.419 1.361 0 40 EDAB CN1CCN(Cc2cnc3n2CCN(Cc2ccncc2)C3)CC1 96061802 QJOARIBXYJDDAI-UHFFFAOYSA-N 326.448 1.041 0 40 EDAB CCN1CCNC(=O)C12CCN(C(=O)c1cccc(OC)c1)CC2 96230164 PICVWFWMKZQWSV-UHFFFAOYSA-N 331.416 1.122 0 40 EDAB O=C(Cc1ccccn1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 96188563 KNQWFFNVHRXJFV-OAHLLOKOSA-N 336.399 1.376 0 40 EDAB O=C([C@@H]1CN(Cc2cccnc2)CC12CCOCC2)N1CCOCC1 96052224 SUUDRIOWAKLZBP-KRWDZBQOSA-N 345.443 1.169 0 40 EDAB CN(C)CCNC(=O)c1cc(-c2cnc(N3CCCC3)nc2)cn1C 96147568 MNXDLYRMHMBVPN-UHFFFAOYSA-N 342.447 1.374 0 40 EDAB CN(Cc1ccco1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181666 GZCPICAFTRNAHG-DLBZAZTESA-N 346.358 1.976 0 40 EDAB Cc1nc2ncccc2c(=O)n1CCNS(=O)(=O)c1ccccc1 95476527 GSNGTWXJLDYQKM-UHFFFAOYSA-N 344.396 1.078 0 40 EDAB C[C@H]1CN(C(=O)N2CCC[C@](O)(C3(C(=O)O)CCC3)C2)C[C@@H](C)O1 1599917270 LBCRHUWUKJCANG-IIYDPXPESA-N 340.420 1.297 0 40 EDAB CN(C)CC(=O)N1CCOC[C@@H]1c1nccc(Nc2ccccc2)n1 96220313 WMFYWPKAMQMRMB-OAHLLOKOSA-N 341.415 1.682 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257269965 MSFGOHCJDKWOMV-ZDUSSCGKSA-N 341.371 1.372 0 40 EDAB COc1ccccc1CC(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257264957 LWQSDROMKKYKBX-SJLPKXTDSA-N 327.380 1.888 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@H]2c2ncnn2-c2ccccc2)on1 252494275 NQNDECVGCVRJTP-AWEZNQCLSA-N 339.355 1.777 0 40 EDAB Nc1cccc([C@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 257237054 HEYHUOWCWOSLFM-OAHLLOKOSA-N 331.347 1.782 0 40 EDAB CNC(=O)[C@@]1(C)CN(Cc2ccc(Br)cc2)CCO1 257207616 BIMSCXSQJAXXJQ-CQSZACIVSA-N 327.222 1.786 0 40 EDAB CNC(=O)[C@H]1CN(C(C)C)CCN1C(=O)CCc1ccccc1OC 257304997 SNZCOKWSVFIZCR-MRXNPFEDSA-N 347.459 1.295 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)CCn3ccnc3)CCO2)ncn1 257207103 BGIZRHFDVJDOKY-MRXNPFEDSA-N 329.404 1.232 0 40 EDAB O=C(N[C@H]1CCN(CC(F)(F)F)C1)N[C@@H]1CCO[C@H](C2CC2)C1 253370579 SOLJGXVDTNPCMA-AGIUHOORSA-N 335.370 1.880 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1ccn(C)n1 257224152 FANKMBNAVKWYQL-KRWDZBQOSA-N 328.416 1.834 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1c1nc(C)ncc1CNC(C)=O 257251491 JQZCZEZEVQBHDC-AWEZNQCLSA-N 340.449 1.298 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2ncccc2C)n1 257266453 MDCLEYGGXXHGST-MRXNPFEDSA-N 339.399 1.793 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(S(=O)(=O)C(C)C)CCN2C)c1 257274299 NKKLNDNKNYQYEW-HNNXBMFYSA-N 339.461 1.073 0 40 EDAB Cc1cncc(C(=O)N2CCO[C@H](CCc3cc(C)ncn3)C2)c1 257315463 VBMJJYZOTABAHV-QGZVFWFLSA-N 326.400 1.962 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)CCCn2cccn2)n1 257230703 GDMJNHQAPTUAQN-CQSZACIVSA-N 331.376 1.067 0 40 EDAB CCc1ccc([C@@H]2CNCCN2C(=O)[C@H]2CC[C@@H](C(=O)O)O2)cc1 1615206615 ZNFXNAOZAMMZRW-XHSDSOJGSA-N 332.400 1.354 0 40 EDAB CC(C)OCC(=O)NS(=O)(=O)c1cc(Br)ccn1 1615831704 TZAZYOZAIGTVFO-UHFFFAOYSA-N 337.195 1.074 0 40 EDAB CC[C@H](C(N)=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 601761648 STKHFHVPRLMAGJ-CABCVRRESA-N 325.840 1.255 0 40 EDAB Cn1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC3=O)c1C(=O)O 577578095 KSHQCBAILKIZHH-UHFFFAOYSA-N 349.368 1.438 0 40 EDAB Cn1ccnc1C(=O)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585275695 IEFQAPCHMJMSSP-KRWDZBQOSA-N 333.363 1.005 0 40 EDAB Cn1cc(CN2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)cn1 585099111 MSZICYWCUCPJHQ-INIZCTEOSA-N 341.459 1.770 0 40 EDAB Cc1cccc(CN2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)n1 585111984 GLUVDRVOESIMSY-INIZCTEOSA-N 349.460 1.083 0 40 EDAB Cc1cccc(CN2CCC(CN(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)c1 585291521 PRLBDSVEJIEGQA-AQNXPRMDSA-N 348.487 1.259 0 40 EDAB CNCC(=O)N1CC(c2cc(Nc3nc(C)cs3)nc(C)n2)C1 72383038 UZDZXPAGEMGYLD-UHFFFAOYSA-N 332.433 1.439 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)NCc2ccc(S(N)(=O)=O)cc2)o1 47619240 BMDAWUUJBVQPLM-LLVKDONJSA-N 337.401 1.796 0 40 EDAB CCc1c(C)ncnc1N1CCN(c2cc(C)nc3ncnn23)CC1 1776009291 CFNGVZQUMSZJDJ-UHFFFAOYSA-N 338.419 1.420 0 40 EDAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCO[C@H]2CCC[C@@H]21 53372899 XMQCETDLRLTBJN-GJZGRUSLSA-N 343.387 1.032 0 40 EDAB Cn1cc(/C=C/C(=O)NCc2cccc(N3CCOC3=O)c2)cn1 58208702 NVBHLDIXXJGPMB-AATRIKPKSA-N 326.356 1.706 0 40 EDAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCCc2ccccc21 85472776 CKLMTUKLVMYYTP-HNNXBMFYSA-N 328.412 1.993 0 40 EDAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)c3cn(C)nc3C)cc2n1 12337028 SCODQPINFUNMEX-CQSZACIVSA-N 340.387 1.763 0 40 EDAB Cc1nn(C)c(C)c1-c1ccc(=O)n([C@H](C)C(=O)NC(C)(C)C)n1 12735044 INTCTVFVHHIEPP-GFCCVEGCSA-N 331.420 1.736 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCC(C)C 16575259 TXEFXLUIXVKKJH-UHFFFAOYSA-N 348.852 1.741 0 40 EDAB N[C@H](CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)O 16899941 UXFZWPXGWNQYML-NXEZZACHSA-N 328.777 1.117 0 40 EDAB CN1CCN([C@@H]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2O)CC1 19590083 ADXHFFDSGXLVMH-IAGOWNOFSA-N 325.403 1.147 0 40 EDAB CN1CCN(CCNC(=O)c2cnccc2C(F)(F)F)CC1(C)C 566570497 KARNFFFVRSQYGL-UHFFFAOYSA-N 344.381 1.856 0 40 EDAB CN1C(=O)C[C@@H](CNC(=O)C(C2CC2)C2CC2)[C@@H]1c1nccn1C 570832582 JTESAQINXXBSOI-XJKSGUPXSA-N 330.432 1.492 0 40 EDAB COc1ccccc1CCNC(=O)Cn1cnc2ccccc2c1=O 18223375 CJYSPBDGQSTZHG-UHFFFAOYSA-N 337.379 1.764 0 40 EDAB Cc1cnc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cn1 6452200 WOJCFCBXLPBQEL-UHFFFAOYSA-N 329.312 1.352 0 40 EDAB COCCNC(=O)[C@@]12C[C@@H]1CCN2C(=O)Nc1ccc(F)c(F)c1 2056224901 FBEMRGBLVUQPLE-MGPLVRAMSA-N 339.342 1.724 0 40 EDAB O=C(N1CCO[C@@H]2[C@H](CNc3ncccn3)CC[C@H]21)C1(F)CCC1 1565546865 BAJOIHCRNVEFCD-BFHYXJOUSA-N 334.395 1.787 0 40 EDAB O=S1(=O)Cc2sc(=S)n([C@@H]3CCS(=O)(=O)C3)c2C1 5290328 IFOIHNNBYQSMJZ-ZCFIWIBFSA-N 325.458 1.067 0 40 EDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)Cc1cccc(F)c1)CC2 575615797 IDIPJDHPUMPINE-AWEZNQCLSA-N 341.404 1.931 0 40 EDAB O=C(Cn1ncccc1=O)NCc1nccnc1-c1ccsc1 575621258 ZMAITBVGSKQATE-UHFFFAOYSA-N 327.369 1.078 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)NCCCn2cccn2)cc1 30518767 JWNLPGRRTQYQKP-UHFFFAOYSA-N 337.401 1.428 0 40 EDAB COc1ccc(OC)c(CNC2CCN(S(C)(=O)=O)CC2)c1 30656158 MGMRZURZDQPTSY-UHFFFAOYSA-N 328.434 1.217 0 40 EDAB O=c1[nH]c(O)c([C@@H]2NCCc3ccccc32)c(=O)n1-c1ccccc1 20150045 RPNONQLMYKLITP-MRXNPFEDSA-N 335.363 1.467 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)cn1 40287082 HNEMRTSSZQSYBP-OAHLLOKOSA-N 342.399 1.448 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@@H]1COc2ccccc2O1 31048022 WXNPXNPKAHZNGR-OCCSQVGLSA-N 342.399 1.937 0 40 EDAB CCc1nnsc1C(=O)N1CCN(Cc2csc(C)n2)CC1 31261675 RAUQKULKOSKHKV-UHFFFAOYSA-N 337.474 1.823 0 40 EDAB CNS(=O)(=O)c1ccc(F)c(C(=O)NCc2csc(C)n2)c1 50782361 KAZKIIZXXILMPN-UHFFFAOYSA-N 343.405 1.429 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)CN2CCOCC2)cc1Cl 40528171 BWYDZWHWCSDLDX-NSHDSACASA-N 348.852 1.348 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)CCN1C(=O)COc2ccccc21 40522626 QQAPISFMKQUFBO-CYBMUJFWSA-N 328.372 1.204 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCOC[C@H]2CCCO2)cc1F 32407858 LQRJVPQGZWVATP-CYBMUJFWSA-N 331.409 1.998 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)OC[C@@H]2CCCO2)ccc1Cl 32666676 WVAQNHBIVVHDQZ-JTQLQIEISA-N 333.793 1.584 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@@H](C)O1 32808531 OWHYFXNTSWFTQQ-CHWSQXEVSA-N 338.429 1.476 0 40 EDAB Cc1nc(C(=O)N[C@@H](C)CN2CCOCC2)nn1-c1ccc(F)cc1 32931048 YSFGQFYKBFOXFX-LBPRGKRZSA-N 347.394 1.165 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C1 33185190 KOWKSDRYURXGPL-PWSUYJOCSA-N 342.399 1.728 0 40 EDAB C[C@H]1CCC[C@H](NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C1 33185191 KOWKSDRYURXGPL-JQWIXIFHSA-N 342.399 1.728 0 40 EDAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nnnn1-c1ccccc1 41624961 XZBNGOWPWZXETH-KBMXLJTQSA-N 341.415 1.968 0 40 EDAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCOCC1 22633075 NTURYWPNGVYHLB-UHFFFAOYSA-N 345.399 1.924 0 40 EDAB CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 47400054 CYWCLPHXOCUODP-ZFWWWQNUSA-N 346.383 1.505 0 40 EDAB O=C(NCCCOc1ccccc1F)N[C@@H]1CCS(=O)(=O)C1 47595241 QDNYYSBEEUCFOI-LLVKDONJSA-N 330.381 1.081 0 40 EDAB NC(=O)CC1CCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)CC1 78879996 XBKFODOHTWEYPF-CYBMUJFWSA-N 341.433 1.249 0 40 EDAB O=C1NC(=O)[C@H](CCC(=O)OCc2cc(F)cc3cccnc23)N1 47704215 OLXREHZSIQPTGT-LBPRGKRZSA-N 331.303 1.405 0 40 EDAB Cc1cc(C)cc(OCC(=O)N2CCN(C[C@H]3CCOC3)CC2)c1 79018929 ATZIRPIQRDAYMF-QGZVFWFLSA-N 332.444 1.863 0 40 EDAB COc1ccc(Cc2nnc(SCCN3C(=O)CCC3=O)o2)cc1 23104643 ZPWKRRCVHJRKDM-UHFFFAOYSA-N 347.396 1.910 0 40 EDAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2=NN(C)C(=O)CC2)C1 54224687 IEGNNORQJAHHQV-ZFWWWQNUSA-N 328.416 1.546 0 40 EDAB CC(=O)N1CCc2cc(C(=O)NCCc3nnc4n3CCC4)ccc21 42502750 LBXILDAMGZPLFA-UHFFFAOYSA-N 339.399 1.106 0 40 EDAB CC(C)N(C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)C(C)C 6649449 NHJPXQSTYUHSON-UHFFFAOYSA-N 331.372 1.725 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCCN(c3cccnn3)CC2)C1 105798768 HZFQPWQPFVNFHL-IYBDPMFKSA-N 331.464 1.493 0 40 EDAB Cc1ccc(N2CC[C@H](C(=O)N3CCn4cnnc4C3)C2=O)cc1C 105843630 QAPBDEQVFCPRGW-OAHLLOKOSA-N 339.399 1.290 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1 43070816 UPNURTFQVCJJBH-UHFFFAOYSA-N 347.392 1.791 0 40 EDAB CSc1ncccc1C(=O)NCc1ccc(N2CCOCC2)nc1 12552348 CPKLJQDXTUUYIR-UHFFFAOYSA-N 344.440 1.965 0 40 EDAB Cc1csc(CNC(=O)c2cc(F)ccc2NS(C)(=O)=O)n1 25099095 IYSJVYWZANCVFK-UHFFFAOYSA-N 343.405 1.892 0 40 EDAB Cc1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)n(C)n1 43432914 VRESZIQCGNPNPL-JTQLQIEISA-N 329.360 1.942 0 40 EDAB CC(C)(C(=O)NCCC(=O)N1CCOCC1)c1ccc(Cl)cc1 56677130 CPZUJEGOZVZHAD-UHFFFAOYSA-N 338.835 1.983 0 40 EDAB CCOCCCNc1nnc(SCCC(=O)NC(N)=O)s1 12601624 CUYBQOUFVSDYDR-UHFFFAOYSA-N 333.439 1.054 0 40 EDAB CN1N=C(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)CCC1=O 27347779 LHSBIQSTZSZJKS-CQSZACIVSA-N 336.823 1.667 0 40 EDAB C=C1c2ccccc2C(=O)N1CC(=O)NCCc1nnc2ccccn12 10079623 ZOWKPHZCQHCICH-UHFFFAOYSA-N 347.378 1.515 0 40 EDAB CN1N=C(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)CCC1=O 58281752 OSGJXYQUKKCJPE-GFCCVEGCSA-N 343.305 1.463 0 40 EDAB O=C(c1ccco1)N1CCC(NC[C@H]2CNc3ccnn3C2)CC1 58294423 JEFMICDDWWWGOR-ZDUSSCGKSA-N 329.404 1.412 0 40 EDAB NC(=O)c1ccccc1N1CC[C@H](NC(=O)Cc2ccccc2O)C1 95395482 BIWHRRZFQLTREJ-AWEZNQCLSA-N 339.395 1.429 0 40 EDAB CN(C1CCN(C(=O)CCc2ccccc2O)CC1)S(C)(=O)=O 58279825 GZYREHGNVDNARB-UHFFFAOYSA-N 340.445 1.207 0 40 EDAB Cc1cc(CN(C)C(=O)Cn2cc(C(F)(F)F)ccc2=O)no1 44911609 ILBFAIFWPCDNDC-UHFFFAOYSA-N 329.278 1.822 0 40 EDAB Cc1nn(C)c2c(N3CCN(C(=O)c4ccco4)CC3)ncnc12 28557313 VVLLCCDIBDENJL-UHFFFAOYSA-N 326.360 1.227 0 40 EDAB O=C(NCc1nnc2n1CCC2)NC[C@H]1CCN(c2ccccc2)C1 44953147 QQFPXUVMRYJITK-CQSZACIVSA-N 340.431 1.550 0 40 EDAB CC(C)c1noc(CCC(=O)NC2CCN(c3ncccn3)CC2)n1 44939033 LKHWYPGPQNNGDF-UHFFFAOYSA-N 344.419 1.701 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)c3cccnc3N(C)C)CCO2)n1 84630866 VHJJFDKNLTURBW-CYBMUJFWSA-N 344.419 1.603 0 40 EDAB COc1c(CNC[C@@H](O)CN2CCc3ccccc3C2)c(C)nn1C 58316939 FSHVURBNGNRGQP-QGZVFWFLSA-N 344.459 1.246 0 40 EDAB COc1cccc(-n2cnnc2SCCN2C(=O)CCC2=O)c1 28013014 VAXPWYNVGHGTOA-UHFFFAOYSA-N 332.385 1.517 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)c1cccc(N2CCNC2=O)c1 58407620 VAUGABOWPDIVCE-UHFFFAOYSA-N 348.403 1.471 0 40 EDAB O=C(Cn1nnn(-c2cccs2)c1=O)N1CCc2ccccc21 10510615 ARPMWBGBTKPJEX-UHFFFAOYSA-N 327.369 1.080 0 40 EDAB NC(=O)C1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 3344583 ISIYJTMFKMPVBN-UHFFFAOYSA-N 346.456 1.561 0 40 EDAB COc1cccc(CCC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1 29195441 RPMJTUZFRHHJTE-AWEZNQCLSA-N 340.445 1.168 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)[C@H]1CCCN(c2cnccn2)C1 48300736 RELDKWDDNXPWPL-JKSUJKDBSA-N 338.411 1.813 0 40 EDAB Cc1nn(C)c(C)c1C(=O)N1CCN(CCOc2ccccc2)CC1 29921686 CPUBASRFKLHCPG-UHFFFAOYSA-N 342.443 1.874 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)NC1CCN(C(=O)C2CC2)CC1 46875250 MAMXPRYNUMVHBF-QHHAFSJGSA-N 342.395 1.946 0 40 EDAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 20768345 FZOHXDZBFATFTB-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB COC(=O)c1cc(-c2csc(NC(=O)c3cnccn3)n2)c[nH]1 12860760 VPYIARPCMHHQOD-UHFFFAOYSA-N 329.341 1.967 0 40 EDAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)O)c1 95442403 XXNCTCBUFNGREL-TZMCWYRMSA-N 341.429 1.706 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C1 13551258 DLOJFOHOOWODGE-LBPRGKRZSA-N 343.383 1.267 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O 5000084 GRZAWDXSTRSPLH-UHFFFAOYSA-N 345.305 1.617 0 40 EDAB CC(C)CNC(=O)NC(=O)COC(=O)CCC(=O)c1cccs1 5078698 JMEKKTJFFTUCHC-UHFFFAOYSA-N 340.401 1.736 0 40 EDAB O=C(CCCOc1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)C1 4392088 GJYSLGQKMXJZQY-LBPRGKRZSA-N 331.821 1.802 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1C 65593499 SACOJTYIDQCCOY-CHWSQXEVSA-N 335.404 1.011 0 40 EDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)OC(C)(C)C 65517353 YRIYUYJECHFPSM-SNVBAGLBSA-N 326.418 1.427 0 40 EDAB CN(Cc1noc(C2CC2)n1)[C@H]1CCN(Cc2nc(C3CC3)no2)C1 95402281 JYRQUHKYNJYZDN-ZDUSSCGKSA-N 344.419 1.914 0 40 EDAB CN(C)c1cccc(CNC(=O)NCCc2cn3ccccc3n2)n1 95437492 HTSGUFXVWAFDDF-UHFFFAOYSA-N 338.415 1.837 0 40 EDAB COC(=O)c1c(NC(=O)N(CCO)CCO)sc2c1CCCC2 6759393 WEKJCJXUYJSJOP-UHFFFAOYSA-N 342.417 1.232 0 40 EDAB CNC(=O)c1ccc(CN2CCC(CCN3CCOCC3)CC2)cc1 66873121 XSQFCTNCRZBTSY-UHFFFAOYSA-N 345.487 1.981 0 40 EDAB O=C(NCCNC(=O)c1nc(C2CCCCC2)no1)c1ccco1 15082460 YLBPZVWKLRAECV-UHFFFAOYSA-N 332.360 1.870 0 40 EDAB COc1cc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C)ccc1O 9486268 BNFCRDOWLALXBO-CXAGYDPISA-N 349.408 1.680 0 40 EDAB Cn1nc([C@@H]2CCCN(Cc3ncc[nH]3)C2)n(-c2ccccc2)c1=O 67784455 DPKIQDWXYYWRQA-CQSZACIVSA-N 338.415 1.674 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)CS(=O)(=O)C2CCCC2)cn1 71796748 BUSQCARFVZQTAK-CQSZACIVSA-N 325.434 1.441 0 40 EDAB O=C(CN1C(=O)CNC1=O)Nc1ccccc1Oc1ccccc1 7989480 LJANFGQSGVYWTA-UHFFFAOYSA-N 325.324 1.969 0 40 EDAB COc1ccc(NC(=O)c2cc(C)on2)cc1S(=O)(=O)N(C)C 8277748 BJHAYSNHIRVLEC-UHFFFAOYSA-N 339.373 1.494 0 40 EDAB Cc1noc([C@@H](C)N2CCN([C@@H](C)C(=O)NCc3ccco3)CC2)n1 69371334 OEIIIONQFVXWDN-QWHCGFSZSA-N 347.419 1.355 0 40 EDAB C[C@H](O)CN1CCN(C(=O)COc2ccccc2C(F)(F)F)CC1 71871226 KNTABXNEELJOFV-LBPRGKRZSA-N 346.349 1.609 0 40 EDAB Cc1nn(CCO)c(C)c1CN[C@@H](C)c1nnc2n1CCCCC2 71825196 XGIUUJUXRBBLGD-ZDUSSCGKSA-N 332.452 1.661 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2nc(=O)c3ccccc3[nH]2)n1 69454334 KJITWEIJZIETET-AWEZNQCLSA-N 338.415 1.796 0 40 EDAB CCNC(=O)CNC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 69626394 HORQGCWMPXNGIK-PWSUYJOCSA-N 329.322 1.997 0 40 EDAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCCN2CCC[C@@H]2C1 69658382 VHBZARJAENZNHZ-RHSMWYFYSA-N 345.418 1.875 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N1CCC[C@H]1c1cccs1)C2 69616531 QDDFOJRGJQCFKV-ZDUSSCGKSA-N 331.445 1.827 0 40 EDAB CCc1nnsc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 71864687 JUQQPKVUQSVWDN-UHFFFAOYSA-N 334.449 1.182 0 40 EDAB CCCc1cc(C(=O)N2CCCN(Cc3nccn3CC)CC2)[nH]n1 69778645 CMJSLPQHIKMINY-UHFFFAOYSA-N 344.463 1.927 0 40 EDAB CC(C)(C)OC(=O)N(CCCNS(=O)(=O)N1CCCC1)C1CC1 69739507 VYTQIQZQGJBVEM-UHFFFAOYSA-N 347.481 1.706 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@@H](C(=O)N(C)C)C1)C2 69700674 GCLWSGVJBLWPGX-CABCVRRESA-N 346.427 1.573 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)C(=O)OC 69778588 SSNBODCZMCCXQN-BZNIZROVSA-N 331.372 1.100 0 40 EDAB O=S(=O)(N1CCCC1)N1CCN(c2cccc(Cl)n2)CC1 69845316 QGVSWAPOYVRLEC-UHFFFAOYSA-N 330.841 1.198 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C(=O)c1noc2c1CCCC2)C1CC1 71904468 LTKSNXHLOATRLM-JTQLQIEISA-N 326.418 1.591 0 40 EDAB COc1cc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)ccc1O 83923474 PIBOMFSAWJKVGJ-CYBMUJFWSA-N 332.400 1.808 0 40 EDAB O=C(NC[C@@H]1CN(C2CCOCC2)Cc2ccnn21)N1CCCC1 306127374 FXCOVOTZHKSMMO-MRXNPFEDSA-N 333.436 1.224 0 40 EDAB CCN(C)[C@H](C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 72269903 FBJSUVXAJHTPMA-QYZOEREBSA-N 345.487 1.737 0 40 EDAB COc1ccc2cc(C(=O)N3CCN(CC[S@@](C)=O)CC3)[nH]c2c1 72294445 XVNRXMYCYVKYPB-DEOSSOPVSA-N 349.456 1.313 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N1CCC[C@@H](c2ccn[nH]2)C1 72283008 GLWFCGQAKCLDPW-CYBMUJFWSA-N 339.461 1.863 0 40 EDAB COc1ccc(C)cc1[C@@H](O)CN1CCc2ncnc(N(C)C)c2C1 97202512 OLYSYGXTRZQULG-KRWDZBQOSA-N 342.443 1.951 0 40 EDAB CCc1nnc2ccc(NCc3ccc(Cn4cncn4)cc3)nn12 95963859 PBMFSNVAQWOURO-UHFFFAOYSA-N 334.387 1.939 0 40 EDAB CNC(=O)CC1CCN(C(=O)NCc2cn3c(C)cccc3n2)CC1 74879375 RLEHOOBEHZRBDO-UHFFFAOYSA-N 343.431 1.700 0 40 EDAB C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCCc1nnc2n1CCC2 86396812 VDPBPDLUNYTDOF-SJCJKPOMSA-N 325.416 2.000 0 40 EDAB CCS(=O)(=O)CC(=O)N(Cc1ccncc1)C[C@H]1CCCO1 75126372 GYIXEJJSJRNWEF-CQSZACIVSA-N 326.418 1.024 0 40 EDAB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(C)(C)O 89662678 YVUUFTLTHZAPCT-NSHDSACASA-N 334.482 1.862 0 40 EDAB COc1ccc2c(C(=O)N3CCC[C@@H]([C@H]4CCNC4)C3)cnn2c1 1549171615 BBIBXBCHKOJUEN-UONOGXRCSA-N 328.416 1.805 0 40 EDAB CCn1c(=O)n(CC(C)=O)c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 22610636 NECRRZPSIWRFJD-UHFFFAOYSA-N 343.383 1.322 0 40 EDAB Cn1cccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 409100563 UVRFTYUGCNLONG-ZROIWOOFSA-N 342.330 1.696 0 40 EDAB Cn1cncc1[C@H]1C[C@H](NC(=O)c2cccc3c[nH]nc23)CCO1 548341994 NVWCBJYYUJBNFR-IUODEOHRSA-N 325.372 1.947 0 40 EDAB CN1CCOC[C@@H]1c1n[nH]c(CNc2ncc3ccsc3n2)n1 1553926754 BSCVONQBMIRSLG-SNVBAGLBSA-N 331.405 1.425 0 40 EDAB Cc1sc(C(=O)O)cc1S(=O)(=O)N1CCC[C@H]2CN(C)C[C@H]21 520413353 VGCTZUZLPRTUNF-WDEREUQCSA-N 344.458 1.469 0 40 EDAB Cc1cc(C(=O)N2CCCN(Cc3ncc(Cl)n3C)CC2)on1 69668974 BHKBYMXWSQBMKN-UHFFFAOYSA-N 337.811 1.718 0 40 EDAB Cc1cc(N2CCC[C@@H](c3ncc(C(=O)N(C)C)c(C)n3)C2)ncn1 72378166 PAWBEOQPZRBQAX-CQSZACIVSA-N 340.431 1.969 0 40 EDAB O=C(c1cc([C@H]2CCCN(c3ncccn3)C2)n[nH]1)N1CCOCC1 72356370 IDSJSRFJKYDGOJ-ZDUSSCGKSA-N 342.403 1.056 0 40 EDAB Nc1c(C(=O)N2CCCC2)nsc1C(=O)NCc1cccs1 62006783 CEUMCNXGCROGJA-UHFFFAOYSA-N 336.442 1.953 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccccc1OC(F)F 35889642 RALRHHSCMSKXTK-RHYQMDGZSA-N 325.267 1.881 0 40 EDAB COCc1cc(CC2(NCc3ccc(NC(C)=O)cc3)COC2)no1 72321923 FCWVKLHSGQOUCH-UHFFFAOYSA-N 345.399 1.881 0 40 EDAB biogenic,in-vitro Cc1nc2c(c(=O)n1C)CN(C(=O)c1ccccc1[C@@H]1CCNC1)C2 72130737 QKVOJJROSQYWMT-CYBMUJFWSA-N 338.411 1.322 0 40 EDAB CN(C)C(=O)c1ccc([C@@H]2CN(CC3(O)CCCCC3)CCO2)nc1 72388111 DMGYMKCUFSVSCH-KRWDZBQOSA-N 347.459 1.852 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@@]1(COC)C(N)=S 218460348 LHLJZUMOTPNPIH-UMVBOHGHSA-N 327.471 1.814 0 40 EDAB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(OC)c1O 210665726 OXZXDGYGOVNRJA-BJMVGYQFSA-N 339.325 1.530 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3cncc(C)n3)C2)c1C 72369431 QOKNMSANSYSOAI-CQSZACIVSA-N 349.460 1.878 0 40 EDAB Cc1nc([C@H]2CN(Cc3cnn(C)c3)CCO2)cc(N2CCCC2)n1 72387766 CKWQDKVGQSSJJL-QGZVFWFLSA-N 342.447 1.692 0 40 EDAB O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1CCCN1 225387485 JNVJQCODRAVLMW-CVEARBPZSA-N 337.851 1.582 0 40 EDAB O=C(c1cnn2ccccc12)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 75170990 QTCIGLVEMFUWFB-HNNXBMFYSA-N 338.411 1.975 0 40 EDAB COc1ccccc1CCNC(=O)[C@H]1CSc2nccc(=O)n2C1 85473975 POIPPITUTCAOFX-CYBMUJFWSA-N 345.424 1.333 0 40 EDAB CC(=O)N1CCN(C(=O)C[C@H](CC(=O)O)c2ccc(F)cc2)CC1 226750525 LMYZPXAULDQMET-CQSZACIVSA-N 336.363 1.465 0 40 EDAB O=C([C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2)N1CCCCC1 223366339 DGFYPKGZNHEMND-CQSZACIVSA-N 330.384 1.919 0 40 EDAB O=C1[C@H](NS(=O)(=O)N2CCc3ccccc3C2)C[C@@H]2CCCCN12 584399536 QAKDPPWUICHFJA-JKSUJKDBSA-N 349.456 1.033 0 40 EDAB CO[C@@H](C(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 96414028 FUJXHPVEIZRQGL-WCQYABFASA-N 330.306 1.654 0 40 EDAB Cc1cnn(CCCNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)c1 96446100 MAHQUHPRUFHVND-OAHLLOKOSA-N 330.436 1.589 0 40 EDAB COC(=O)[C@H](C)NC(=O)Cc1nn(CC(C)C)c(=O)c2ccccc12 95475193 BVDJVIMNMRAWLS-LBPRGKRZSA-N 345.399 1.273 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(CCN(Cc3cccc(C)c3)C2=O)C1 96050601 ILUSXYXJSRPYGR-QGZVFWFLSA-N 336.457 1.769 0 40 EDAB Cc1nnc(N2CCC[C@]3(CN(Cc4ccncc4)CCO3)C2)o1 96226650 ANYFGRQSGTXDFW-KRWDZBQOSA-N 329.404 1.644 0 40 EDAB CCN1C[C@@H]2CN(C(=O)c3ccncc3F)CCC[C@]2(C(=O)O)C1 96185157 GEROYUDEHZMXRR-PXAZEXFGSA-N 335.379 1.479 0 40 EDAB C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cn1cc2ccccc2n1 330327858 VRXLKBDSDFEAKR-OAHLLOKOSA-N 342.443 1.748 0 40 EDAB O=C(Nc1ccc(Cn2ccccc2=O)cc1)N[C@@H]1CCC[C@@H]1O 96415817 GLQDUKJFRNZYIW-CVEARBPZSA-N 327.384 1.932 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)c2cc(C)nc(C)n2)C1 583619640 RNFKAUZNQIWXAN-OCCSQVGLSA-N 342.403 1.691 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 583616291 CZFAXROQSYMJKT-ARFHVFGLSA-N 325.430 1.546 0 40 EDAB COCC(=O)N1CCC2(CC1)C[C@H](COC)N(Cc1cccnc1)C2 96216099 UCLREFBSOGORHA-QGZVFWFLSA-N 347.459 1.558 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)Cn2ncc3ncccc3c2=O)c1 96419814 YYEOMVIWUSFBIA-CQSZACIVSA-N 325.368 1.848 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)CO[C@H](COc1ccccn1)C2 96106239 TXJVCEWEUSNOGW-AWEZNQCLSA-N 340.445 1.681 0 40 EDAB O=C(Cc1ccc(Cl)cc1)NCc1ccnc(N2CCOCC2)n1 96121119 YLDXRCDGSZIWEO-UHFFFAOYSA-N 346.818 1.826 0 40 EDAB CC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCCc2cccs2)C1 247950200 QJQVMRIOZVTJFF-AWEZNQCLSA-N 332.429 1.597 0 40 EDAB COC(=O)N(C)CCCC(=O)Nc1cn(C)nc1Br 585125192 JXYHCQCJSCPDDF-UHFFFAOYSA-N 333.186 1.600 0 40 EDAB Cn1ccnc1[C@@H](CC(=O)N1CCCC[C@H]1C(=O)O)C(F)(F)F 585134940 PUPRSOXMBIZCKO-ZJUUUORDSA-N 333.310 1.922 0 40 EDAB O=C(CCN1CCC[C@@H](CN2CC[C@@H](O)C2)C1)Nc1cccc(F)c1 585133430 HZXAFGCPRXTORZ-CRAIPNDOSA-N 349.450 1.933 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)c2ccncc2)C1 257304894 SNOGFFMUPXCXJR-GFCCVEGCSA-N 348.428 1.303 0 40 EDAB O=C(CCCn1cc(COc2ccccc2)nn1)N1CCOCC1 252484963 GLBREMBYLUDPIZ-UHFFFAOYSA-N 330.388 1.496 0 40 EDAB COc1cccc(OC)c1CN1CCN(C)C[C@@H](C(=O)N(C)C)C1 257207905 BJWMEMUOTVPTPZ-CQSZACIVSA-N 335.448 1.156 0 40 EDAB Cc1noc(C)c1C(=O)NC[C@@]1(O)CCN(c2ccc(F)cn2)C1 257312063 UMIWHORVKVFHKS-INIZCTEOSA-N 334.351 1.197 0 40 EDAB O=C(Cc1cccc(F)c1)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257275795 NQXJNWDSVJMZPR-JFIYKMOQSA-N 336.407 1.099 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2ccn3ccnc3n2)c1 257200364 ACZDCVCGIWAHTM-ZDUSSCGKSA-N 346.416 1.379 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1c1ccc(-c2cncc(C(=O)O)c2)cn1 257341147 ZJAKWZVVKYFYIM-HNNXBMFYSA-N 347.396 1.938 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)n1 257282231 OSYZVPPMPKMQRD-ZDUSSCGKSA-N 330.392 1.020 0 40 EDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2nccn2C)nc1 257211218 BXYJKYKJUHSIIC-OAHLLOKOSA-N 327.388 1.429 0 40 EDAB CC[C@](O)(C(=O)N[C@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1 252500178 SOHCTZNNIWQEFU-WMLDXEAASA-N 348.834 1.969 0 40 EDAB COCc1c(C(=O)N2CCC[C@@H](Cc3nccnc3N)C2)noc1C 257235920 HABXSOCLKZLEKL-LBPRGKRZSA-N 345.403 1.597 0 40 EDAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1cscn1 257279686 OHSXMNTXPPADGI-HNNXBMFYSA-N 333.417 1.037 0 40 EDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257240724 HUWJIVJVYCQIFH-HZPDHXFCSA-N 337.372 1.639 0 40 EDAB CC(C)c1nnc(CCC(=O)N2CC[C@@](O)(CN3CCCC3)C2)o1 257324790 WQEPQSUXENJDSJ-QGZVFWFLSA-N 336.436 1.185 0 40 EDAB COc1ccc(CN2CCN(C)C[C@@H](C(N)=O)C2)c2ccccc12 257336907 YQNILUGWFCBNBW-OAHLLOKOSA-N 327.428 1.697 0 40 EDAB O=C(Nc1cccc(N2CCCCC2=O)c1)[C@@H]1CC[C@H](C(=O)O)O1 262251390 BYYFGCBKJNSFCX-UONOGXRCSA-N 332.356 1.774 0 40 EDAB O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 270071580 OEHNUANUIRUIOS-CABCVRRESA-N 340.431 1.973 0 40 EDAB O=S(=O)(c1cnc(NCCCO)c(Cl)c1)N1CCC[C@@H]2C[C@@H]21 1615046085 VSOHDLJFHRDOGO-MFKMUULPSA-N 345.852 1.702 0 40 EDAB COC1(CNC(=O)C(=O)NCc2ccco2)C2CC3CC(C2)CC1C3 96393557 RDOPRHSNKFBBAR-UHFFFAOYSA-N 346.427 1.853 0 40 EDAB CO[C@]1(CNC(=O)C(=O)Nc2ccccc2SC)CCSC1 96097737 KTJKIDUANXZVSO-HNNXBMFYSA-N 340.470 1.985 0 40 EDAB Cc1noc(CNC(=O)[C@H]2CCCN2c2nc3ccccc3o2)n1 96122600 BQOPYDWBSJYBEA-GFCCVEGCSA-N 327.344 1.804 0 40 EDAB CC[C@H](C(=O)NCc1nc(OC)nc(N(C)C)n1)c1ccccc1 575603741 JMXPHBRUMXQHIK-ZDUSSCGKSA-N 329.404 1.756 0 40 EDAB Cc1nc[nH]c1C(=O)N1Cc2ccnn2[C@@H](COc2ccccn2)C1 575404420 BWLKXNTZYIUUHU-CQSZACIVSA-N 338.371 1.586 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccccc2Cl)CC1 69739915 ATJHXDMBPLKCGS-ZDUSSCGKSA-N 326.824 1.495 0 40 EDAB Cc1ccc(OC[C@]2(O)CCN(C(=O)Cc3ccccn3)C2)cc1 585279163 WINTUGWTOMJYCD-IBGZPJMESA-N 326.396 1.975 0 40 EDAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)COc1ccc(C)cc1 585278196 NBTPPGQKUBYWLT-IRXDYDNUSA-N 348.443 1.906 0 40 EDAB Cc1cccc(OC[C@@]2(O)CN(CC3(O)CCCCC3)CC[C@@H]2O)c1 585284206 VREUBLXQMBSEMG-ICSRJNTNSA-N 349.471 1.867 0 40 EDAB COc1cccc(CC(=O)N2CC(F)(F)C[C@]3(CCNC3=O)C2)c1 585093242 LEFCRONRHHDYFU-MRXNPFEDSA-N 338.354 1.612 0 40 EDAB Cc1ccc(NC(=O)CSCC(=O)NCCC(=O)N(C)C)cc1 47514358 RHPMNKOSNUZXRP-UHFFFAOYSA-N 337.445 1.261 0 40 EDAB COc1cc(N2CCN(C(=O)c3cc(C)cs3)CC2=O)ccn1 1776008094 YKLRYFCYPRJHOP-UHFFFAOYSA-N 331.397 1.949 0 40 EDAB CCNC(=O)CN1CCN(C[C@@H](O)c2ccccc2Cl)CC1 40105744 WEBZFULSRAWCIP-OAHLLOKOSA-N 325.840 1.127 0 40 EDAB CCCNC(=O)CNC(=O)c1sccc1NC(=O)c1ccncc1 56195126 GCAVHFYQWXFCPE-UHFFFAOYSA-N 346.412 1.651 0 40 EDAB CC(=O)N(C)CC(=O)NCc1cccnc1OCc1ccccc1 40541209 AKIOOIVUNSQPEB-UHFFFAOYSA-N 327.384 1.755 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)n1 76046109 JXKKQAVZUBMWNI-OCCSQVGLSA-N 345.403 1.520 0 40 EDAB C1CO[C@@H](CNc2nnc(SCCN3CCOCC3)s2)C1 40473930 AKKPEVKZEQYNPL-LLVKDONJSA-N 330.479 1.553 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)Nc2cccc(-c3nnco3)c2)c1C 84057787 MDNDBQZIENQZFW-UHFFFAOYSA-N 325.328 1.699 0 40 EDAB CCS(=O)(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCCC1=O 85467595 FQZZEODAXDPKBS-OAHLLOKOSA-N 342.436 1.689 0 40 EDAB COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C)oc1C 97035141 SYRXOPOFUIFODT-NSHDSACASA-N 340.405 1.448 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(n2nc(-c3ccccc3)oc2=O)CC1 12184051 ZCRPYFYJRRHVBZ-OAHLLOKOSA-N 343.383 1.846 0 40 EDAB O=C1CCCN1CC(=O)N1CCC[C@@H](n2nnc3cc(F)ccc32)C1 12184860 AWLMJBGOQPWERP-CYBMUJFWSA-N 345.378 1.356 0 40 EDAB CC(C)C[C@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 16754471 JMPKMGUKLHYPQY-LEOABGAYSA-N 346.427 1.067 0 40 EDAB Cc1nonc1CN(C)C(=O)[C@H](C)N1C(=O)[C@H](C)Oc2ccccc21 19559041 GTCOCFOBGKKEHG-RYUDHWBXSA-N 344.371 1.539 0 40 EDAB CC1(C)C[C@]2(CCCN2C(=O)c2cc(C3CC3)on2)[C@H](CC(N)=O)O1 643585949 GNUYAMSPIBMAFA-KBXCAEBGSA-N 347.415 1.970 0 40 EDAB Cc1ccc(-c2noc(C)c2C(=O)N(C)[C@@H]2COC[C@@H](O)[C@H]2O)cc1 643551199 PUGQEVFUMJXJOL-CPUCHLNUSA-N 346.383 1.151 0 40 EDAB CCS[C@H]1CCC[C@@H]1NC(=O)COCc1ocnc1C(=O)OC 585123503 BKMNMXDYKGHODL-JQWIXIFHSA-N 342.417 1.768 0 40 EDAB O=C(O[C@@H]1CCOC1=O)C1CCN(C(=O)Nc2ccccc2)CC1 5970892 FOMXGCJAKYLHLY-CQSZACIVSA-N 332.356 1.789 0 40 EDAB O=C([C@@H]1CN(c2cccc(C(F)(F)F)n2)CCO1)N1CCCC1 1889096406 XMLAQQINKCACQH-NSHDSACASA-N 329.322 1.928 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)cn1 2037984707 LAPFJGQXJSTVIU-GOSISDBHSA-N 331.416 1.490 0 40 EDAB O=C(N1CCO[C@]2(CCCN(c3ncccn3)C2)C1)C1(F)CCC1 1614929547 CTBAREYDIHDCSG-MRXNPFEDSA-N 334.395 1.567 0 40 EDAB CNC(=O)[C@H]1CCO[C@H]2CCN(CCOCc3ccccc3)C[C@@H]21 1565539508 OIRLOWMQWXTWGL-KSZLIROESA-N 332.444 1.676 0 40 EDAB CCNC(=O)C(=O)c1cn(CC(=O)N(CC)CC)c2ccccc12 3007558 AJBAIMPWGWTHRF-UHFFFAOYSA-N 329.400 1.829 0 40 EDAB Cc1cc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)n2)no1 11781394 LVKCREWMMUUTSD-UHFFFAOYSA-N 328.303 1.979 0 40 EDAB COCCNC(=O)CCCn1nc(-c2ccc(C)cc2)ccc1=O 12889297 YIIYCJAKUCCIRQ-UHFFFAOYSA-N 329.400 1.762 0 40 EDAB Cc1c(CN2CCC[C@](C(=O)N(C)C)(n3cccn3)C2)cnn1C 2055771778 XSRRUDXESYOULB-KRWDZBQOSA-N 330.436 1.005 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CC1)CO[C@H](COc1ccccn1)C2 2055806569 JUJSHOITAOLKQB-HOTGVXAUSA-N 346.427 1.895 0 40 EDAB CC(C)N1CC[C@@H](N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)C1=O 2086848041 SZYJGJXEULCFQW-OAHLLOKOSA-N 347.463 1.105 0 40 EDAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(C)on1 206794024 XIDDPBIBELNNBH-BXUZGUMPSA-N 348.330 1.957 0 40 EDAB COc1nc(CNC(=O)c2ccc(F)c(F)c2F)nc(N(C)C)n1 575605877 GCBWFXRLDJHJNQ-UHFFFAOYSA-N 341.293 1.294 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@@H](O)c2ccoc2)cc1F 75171878 HIVHPVBGZFGVAE-CYBMUJFWSA-N 329.349 1.829 0 40 EDAB CSCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1F 75157624 QUBLQCPNWYYNNU-AWEZNQCLSA-N 332.372 1.524 0 40 EDAB O=C1N(CN2CCC3(CC2)OCCO3)c2ccccc2C12OCCO2 20428546 WTETVZWBUJQDKX-UHFFFAOYSA-N 346.383 1.029 0 40 EDAB OCCn1ncc2c(NC[C@H]3CCN(c4ccccc4)C3)ncnc21 97200218 DVJMMRSSPFIZHM-CQSZACIVSA-N 338.415 1.757 0 40 EDAB COc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 100702319 XCWWLPIJZNLRSR-VBNZEHGJSA-N 333.384 1.610 0 40 EDAB Cc1noc(C)c1CC(=O)NC[C@]1(N2CCOCC2)CCSC1 31940221 WMFZTWIVGJQFGU-MRXNPFEDSA-N 339.461 1.158 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccncc1 32276877 WMNBYVGTQMYHAF-UTPRNQHHSA-N 345.424 1.962 0 40 EDAB Cn1c(CN2CCC(Cc3cccc(F)c3)CC2)cc(=O)n(C)c1=O 52007279 NKZUOPLCINQOPN-UHFFFAOYSA-N 345.418 1.678 0 40 EDAB CN(C)C(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 102742333 BJSCWLFAIZZOIY-AZHAFVHUSA-N 328.368 1.850 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC 543469 RYNPCOXZUWQLOY-SKDRFNHKSA-N 343.405 1.043 0 40 EDAB CCn1nc(C(=O)N2CCO[C@@H]3CCC[C@H]32)c2ccccc2c1=O 53373990 SCRWCCJNXLLNKJ-HUUCEWRRSA-N 327.384 1.810 0 40 EDAB CC(=O)N1CCCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 53356594 WBLKJXOAJBFAFW-CQSZACIVSA-N 336.819 1.972 0 40 EDAB O=C(NCCCn1cncn1)c1cc(Br)ccc1F 41862556 MHANICZYWPVFTQ-UHFFFAOYSA-N 327.157 2.000 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N2CCCC[C@H]2C(=O)O)c1 248456 AFFSMJKYUVODFX-NSHDSACASA-N 329.374 1.332 0 40 EDAB O=C(CSc1nnc2ccc3ccccc3n12)N1CCOCC1 387181 YSIWTAPSDPWDBZ-UHFFFAOYSA-N 328.397 1.833 0 40 EDAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCC(F)(F)F 22773350 AUVPLWHCLQSTOG-QPJJXVBHSA-N 341.377 1.996 0 40 EDAB O=C(Nc1ccc(C(=O)O)cc1)C(=O)N[C@H](CO)Cc1ccccc1 61719207 QKGADNYVWHMGQL-HNNXBMFYSA-N 342.351 1.043 0 40 EDAB CC(C)(NCC(=O)N1CCNC(=O)C1)c1cccc(C(F)(F)F)c1 78440874 PTRIWDTWANSJJZ-UHFFFAOYSA-N 343.349 1.489 0 40 EDAB CCN(C(=O)Cn1ncn2nccc2c1=O)[C@H](C)c1ccc(F)cc1 78996207 FBKPFTQZZLTFQX-GFCCVEGCSA-N 343.362 1.640 0 40 EDAB O=C(CCNc1ncccn1)N1CCN(c2ncccc2Cl)CC1 54100232 HZKKOBAWADJOJJ-UHFFFAOYSA-N 346.822 1.676 0 40 EDAB COc1ncccc1CNC(=O)Nc1cccnc1N1CCOCC1 54479979 FKKQOSLMUDXDKW-UHFFFAOYSA-N 343.387 1.644 0 40 EDAB CC(C)(C)c1ccc(C(=O)NCc2nnc(SCC(N)=O)o2)cc1 4354252 XDHVBJVPTYERPA-UHFFFAOYSA-N 348.428 1.875 0 40 EDAB CC(=O)c1ccc(SCC(=O)NCC(=O)NC(C)C)c(F)c1 23926197 RNMXBMJGSIEZQI-UHFFFAOYSA-N 326.393 1.761 0 40 EDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCc2ccccc2C1 6259939 HYSOMUWXYCOKLG-AWEZNQCLSA-N 344.436 1.938 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)Nc2cncnc2-n2cccn2)c1 97165116 CVQIRJDNFGGPPX-UHFFFAOYSA-N 333.348 1.911 0 40 EDAB Cn1cccc1C(=O)NC(=O)CSc1ccc2c(c1)OCCO2 7814662 BUYPVULNKXXGNG-UHFFFAOYSA-N 332.381 1.845 0 40 EDAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC1CCN(CC(N)=O)CC1 43121681 ZLFRZZDZDSPKBE-LLVKDONJSA-N 339.823 1.173 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCCNC(=O)c1cccs1 24725624 IGHHRAPOKKNKAT-GFCCVEGCSA-N 340.445 1.962 0 40 EDAB O=C(Nc1nc2ccc(Cl)cn2n1)N[C@H]1CCc2ncnn2C1 97104109 CWMIJOFGQSPHTM-VIFPVBQESA-N 332.755 1.111 0 40 EDAB O=C(CNC(=O)N[C@@H]1CCN(c2ccccc2)C1)Nc1cccnc1 106554622 ATOUHKLRNDQMQQ-OAHLLOKOSA-N 339.399 1.598 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@](C)(c2ccccn2)C1=O 106653520 FTRQURPFDFHHNY-JCGVRSQUSA-N 344.415 1.638 0 40 EDAB CC(=O)c1ccc(S(C)(=O)=O)c(N2CC[C@@H](N3CC=CC3)C2)c1 102088788 UWBQQUJDERUWAM-OAHLLOKOSA-N 334.441 1.743 0 40 EDAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@@H]1C(N)=O 44647093 YGXDEANCMNNGAB-HZPDHXFCSA-N 327.384 1.427 0 40 EDAB CC(=O)NCCCC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 48261412 GWXMUFSCBGBGRC-ZDUSSCGKSA-N 329.404 1.703 0 40 EDAB O=C(c1ccoc1)N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 27585023 ZKPPUXQPRCMEMX-MRXNPFEDSA-N 348.374 1.616 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N1CCN(CCc2cccs2)CC1 58134276 QJTZYVVRIJNZTD-ZDUSSCGKSA-N 338.477 1.142 0 40 EDAB COCCN1CCCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 48299866 FVVOTIHMSJZDPF-HNNXBMFYSA-N 349.406 1.432 0 40 EDAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 44873286 NHVLIYZEYBSPGW-HNNXBMFYSA-N 336.457 1.202 0 40 EDAB CSCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 58245449 QUVKLVQXJGIOJL-UHFFFAOYSA-N 341.864 1.468 0 40 EDAB C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102010835 FHJCMIABCTVYDC-GBOPCIDUSA-N 328.478 1.599 0 40 EDAB COc1cc(F)c(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cc1OC 28057723 HHXKKPJJSHFPKV-VHSXEESVSA-N 333.381 1.641 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cc1OC 28057721 YVTORMHNHCZJCV-RYUDHWBXSA-N 329.418 1.810 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 22052636 VGZNAIDAUTTZNO-OAHLLOKOSA-N 348.399 1.906 0 40 EDAB in-vitro CC(=O)N(CCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(C)C 48317364 IBOVSPXVXZLBNX-INIZCTEOSA-N 345.443 1.803 0 40 EDAB CCc1nc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cs1 107615840 RNXJRKGXNNSYQZ-MRVPVSSYSA-N 335.351 1.733 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1CCOCCOc1ccccc1 48324968 RGXWFJDUURSXER-MRXNPFEDSA-N 336.413 1.510 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)Nc1nc2c(s1)CCCC2 9025666 ITVGTLIGEUIJFF-UHFFFAOYSA-N 341.396 1.766 0 40 EDAB CC(=O)N[C@H](C(=O)NCc1ccccc1Cn1cncn1)C(C)C 46652931 ZAMVSUAXRZMCJN-INIZCTEOSA-N 329.404 1.103 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1cc2ccccc2o1 12823189 MLJWGIBKEJHXFA-NSHDSACASA-N 341.367 1.928 0 40 EDAB Cc1nc(NC(=O)c2nn(C)cc2Cl)sc1C(=O)N(C)C 2780834 SWVVHWTXTFLXCO-UHFFFAOYSA-N 327.797 1.793 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cnn(C)c1 12856073 HBCFDWIIVAUXDD-OXFRDRNISA-N 348.428 1.300 0 40 EDAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1=COCCO1 12923406 DDPAFJXKHUOPPH-UHFFFAOYSA-N 326.299 1.640 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2c(c1)CCC2 3605966 XECAVRUPCSGGCU-UHFFFAOYSA-N 327.384 1.978 0 40 EDAB CCN1CC[C@@H](NCC2CC2)[C@@]2(CC(C(=O)NCC3CC3)=NO2)C1 306132893 LVJIJMMMLVLWAP-SJLPKXTDSA-N 334.464 1.122 0 40 EDAB COc1cc2oc(=O)c(CC(=O)Nn3cnnc3)c(C)c2cc1Cl 13655145 UVEKGTZDCFYGAR-UHFFFAOYSA-N 348.746 1.668 0 40 EDAB Cc1nc(CN2CCN(c3ncnc4c3CN(C)CC4)CC2)cs1 65474376 QCCLPFWKRWMZOG-UHFFFAOYSA-N 344.488 1.552 0 40 EDAB C[C@@H]1CN(c2ccc(NC(=O)NCc3cc[nH]n3)cn2)C[C@@H](C)O1 65405138 JLVLEUMEJADCLJ-VXGBXAGGSA-N 330.392 1.740 0 40 EDAB COC(=O)NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 65565663 HBFJDXXCUDZBFZ-ZDUSSCGKSA-N 334.372 1.867 0 40 EDAB C[C@@H](NC(=O)CCC(=O)N1CCOCC1(C)C)C(=O)c1ccccc1 65536572 FBHKSDUKZXOYOS-CQSZACIVSA-N 346.427 1.792 0 40 EDAB O=C(/C=C/c1ccc2c(c1)CCO2)N1CCN(c2ncccn2)CC1 14162771 ZBODWIACGMPYNY-HWKANZROSA-N 336.395 1.774 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 22540060 DZFJLVIWJOTQTE-WCQYABFASA-N 328.409 1.675 0 40 EDAB CCOc1c(OC)cc(CNS(=O)(=O)N2CCCC2)cc1OC 65625991 MXHCEHDYRJXPJL-UHFFFAOYSA-N 344.433 1.533 0 40 EDAB C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H]1COc2ccccc2O1 9836370 RZKHSLQSRPHFHQ-NEPJUHHUSA-N 346.408 1.823 0 40 EDAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1ccccn1 96997354 BXFOWLHDLXDESX-LLVKDONJSA-N 345.380 1.252 0 40 EDAB CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cncc(Br)c1 66657675 MMEUTKMXDHTDFC-JTQLQIEISA-N 344.234 1.447 0 40 EDAB COCCOCCNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 67065675 PASMTHKWVBHNGT-OAHLLOKOSA-N 344.358 1.711 0 40 EDAB CCC[C@@H](C)NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1 5924137 JQGHZKYRJZOYLG-LLVKDONJSA-N 342.417 1.520 0 40 EDAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)noc2C)cc1 7211680 QFCNNMDQWTUFIT-UHFFFAOYSA-N 337.401 1.859 0 40 EDAB C[C@H](C(=O)Nc1ccccc1F)N1CCN(C(=O)[C@H]2CCCO2)CC1 16378931 CYLCPMKFKXVQOS-CZUORRHYSA-N 349.406 1.476 0 40 EDAB CS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)c1ccncc1 71799247 SLKMMLRBNJTZAG-OAHLLOKOSA-N 333.413 1.515 0 40 EDAB Cc1nc(C[C@@H]2CCCN(c3ncnc4nc(N)ccc34)C2)no1 97047807 OJVDGFIEHVUXHB-NSHDSACASA-N 325.376 1.758 0 40 EDAB O=C(Nc1nncs1)[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 69442595 VYJCHRBXRWRYNZ-SECBINFHSA-N 329.389 1.665 0 40 EDAB Cc1cc2ncn(C[C@H](O)Cn3cnc(C)c(C)c3=O)c2cc1C 97082248 FIDPZMLNUWKOPZ-HNNXBMFYSA-N 326.400 1.888 0 40 EDAB CCCc1cc(N[C@@H]2CCc3nc(CC)nn3C2)n2ncnc2n1 69601424 XHGCKRKLOZZHBX-GFCCVEGCSA-N 326.408 1.658 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)N(C)CC(F)F)c1 69616972 WIMWBEZVPMBBOK-UHFFFAOYSA-N 349.403 1.488 0 40 EDAB CCc1nnc(CN(C)CCN2CCN(c3ccccc3)CC2)o1 72291848 UNDXHWXDKHDIPX-UHFFFAOYSA-N 329.448 1.886 0 40 EDAB Cc1nnc2n1CCN(CCC(=O)Nc1ccnn1C1CCCC1)C2 69840851 JEGUHNUJGZYABZ-UHFFFAOYSA-N 343.435 1.743 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N2CCC(C(N)=O)CC2)n1 71831090 HNQWJFAKLJUBIZ-UHFFFAOYSA-N 339.827 1.314 0 40 EDAB C[C@H](C(=O)OCC(=O)NC1CC1)N1CCN(c2ccc(F)cc2)CC1 69968450 YOKDGUWAPWUVIL-CYBMUJFWSA-N 349.406 1.158 0 40 EDAB COc1ccc(-n2ccc(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)n2)cc1 71829453 RWFMAPBDIJSKNM-OLZOCXBDSA-N 342.399 1.607 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(-c2nc[nH]n2)cc1 71893729 MJDFCOWSTDYIKO-UHFFFAOYSA-N 346.354 1.629 0 40 EDAB O=C(CN1CC(=O)NC1=O)NCC1(c2ccc(Cl)cc2)CCCC1 71897929 SSJXHVQWBNDGKD-UHFFFAOYSA-N 349.818 1.820 0 40 EDAB CCn1cnnc1CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C 71847139 ROUHABLBIXURRS-LLVKDONJSA-N 339.465 1.252 0 40 EDAB Cc1oc(-c2ccsc2)nc1CC(=O)N1CCN(C[C@@H](C)O)CC1 71871494 HEJJJVINMGKDKX-GFCCVEGCSA-N 349.456 1.779 0 40 EDAB CCc1nc([C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)CCO2)n[nH]1 83829719 KTWABIFAAPGXRS-KGLIPLIRSA-N 335.452 1.532 0 40 EDAB CSc1ccc(CNC(=O)N[C@H](C)CN2CCN(C)CC2)cc1 72270170 TYZBZUVTWBHPEW-CQSZACIVSA-N 336.505 1.844 0 40 EDAB O=C1NC(=O)[C@]2(CCN(C(=O)CCCCCc3cccs3)C2)N1 72290673 SPPHXLDUOPLQPI-MRXNPFEDSA-N 335.429 1.662 0 40 EDAB CC[C@H]1CN(Cc2cc(=O)n3cccc(C)c3n2)CCN1C[C@@H](C)O 84736481 OJWJREXTYAITAR-WBVHZDCISA-N 344.459 1.280 0 40 EDAB CC[C@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1N1CCOCC1 84736117 XPYHDYCUKQAGII-XJKSGUPXSA-N 330.432 1.537 0 40 EDAB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@@H](C)c1nc(C2CC2)no1 84736202 XNANDSBUOPGJQA-LOWVWBTDSA-N 342.465 1.658 0 40 EDAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1 95402426 KJMOKQCGDJJBLG-LLVKDONJSA-N 343.840 1.432 0 40 EDAB Cc1ccc2cccc(C(=O)N3CCCN(CC(N)=O)CC3)c2n1 95400519 OIEHMNXXNNWDDT-UHFFFAOYSA-N 326.400 1.176 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCOCO2)c(Cl)c1 95428014 BXFBXPGTNGFDDD-JTQLQIEISA-N 349.792 1.168 0 40 EDAB COc1cccc(CCCN2CCC[C@@H](CS(N)(=O)=O)C2)c1 98013264 NINOXTLJOKIJSR-OAHLLOKOSA-N 326.462 1.628 0 40 EDAB CCN1CCN(c2ccccc2CNC2CCN(C(N)=O)CC2)CC1 88722282 YRFDYWKQOHKWCC-UHFFFAOYSA-N 345.491 1.461 0 40 EDAB CCc1nnc(COC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1C 89296120 SRKBENCWCHKDHN-SNVBAGLBSA-N 342.355 1.105 0 40 EDAB CNC(=O)CC1CCN(C(=O)NCCCN2CCCCCC2)CC1 74833185 GBHJZHJEFPZWNV-UHFFFAOYSA-N 338.496 1.810 0 40 EDAB COC(=O)[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)c(F)c1 89390697 YMPDADHHMJHIHI-PWSUYJOCSA-N 328.727 1.088 0 40 EDAB Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(=O)[nH]1 75118864 PCOWKXFAYDSIKW-AWEZNQCLSA-N 347.440 1.548 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCCNc3ccccn3)CC2)on1 89608652 XSZICIQUNCVFMW-UHFFFAOYSA-N 344.419 1.317 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(c2cncc(Br)c2)C1 89764616 KKWIIUMEAOXCFK-LLVKDONJSA-N 325.210 1.838 0 40 EDAB CCO[C@H](C(=O)N1C[C@]23CCCC[C@]2(C1)CS(=O)(=O)C3)C(C)C 1551660105 WJDZPZAACONGEN-XIRDDKMYSA-N 343.489 1.865 0 40 EDAB Cc1noc(C)c1CN1Cc2ccnn2[C@@H](CC(=O)NCC2CC2)C1 306139503 SYXNHWLWIWXSCQ-INIZCTEOSA-N 343.431 1.961 0 40 EDAB Cc1ccccc1CC(=O)N[C@H]1CCCC[C@H]1n1cc(CO)nn1 530518068 AGZRDDPQHYRXDX-DLBZAZTESA-N 328.416 1.921 0 40 EDAB Nc1ccc(C[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nn1 72387401 QRCANIDHURSWDK-CYBMUJFWSA-N 332.429 1.702 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CS(=O)(=O)NCc2ccco2)C1 521396678 ODHSMVJCJNNOAD-IPYPFGDCSA-N 340.445 1.594 0 40 EDAB COCc1nc(CN2CCC[C@H](CNS(C)(=O)=O)C2)cs1 72577512 QCECTUPODOKDDL-LLVKDONJSA-N 333.479 1.051 0 40 EDAB C[C@@H](NC(N)=O)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C 79002019 QEYZHKOOFPGXNE-ZWNOBZJWSA-N 325.384 1.792 0 40 EDAB O=C(NC[C@@H]1CCCN1c1cccc(F)n1)c1cnc2n1CCOC2 1061477719 MBYCBEJHEZYRMP-LBPRGKRZSA-N 345.378 1.346 0 40 EDAB CN(CCNC(=O)N1CCN(C(=O)C(C)(C)C)CC1)C1CCCC1 78519066 ZHIAEJQKAJUVSK-UHFFFAOYSA-N 338.496 1.761 0 40 EDAB CC(C)[C@H]1CN(C(=O)N[C@@H](C)CN2CCN(C)CC2)CCS1 74134061 GWWVTCNMXVUKKX-LSDHHAIUSA-N 328.526 1.405 0 40 EDAB O=C(OCCCn1ccccc1=O)[C@H]1CCCN(C(=O)C2CC2)C1 78556651 QYEIPTPQAVSVTB-HNNXBMFYSA-N 332.400 1.430 0 40 EDAB Cc1c(S(=O)(=O)N[C@@H]2CCCN(C)c3ccccc32)cnn1C 562730598 OWBAPUUVSQWQGS-CQSZACIVSA-N 334.445 1.978 0 40 EDAB C[C@H]1Oc2c(cccc2C(=O)OCCCc2cnn(C)c2)NC1=O 78446154 ILMVVORJFIKORY-LLVKDONJSA-N 329.356 1.929 0 40 EDAB O=C(COc1ccc(Cl)cc1Cl)N[C@H]1C[C@@H](O)[C@@H](CO)C1 85468861 JZFNZHUERANLRO-HLUHBDAQSA-N 334.199 1.620 0 40 EDAB CCN1CCN(CC(=O)N(Cc2ccccc2)C(C)C)C(=O)C1=O 45767995 XGWFCYZZYHXUFL-UHFFFAOYSA-N 331.416 1.114 0 40 EDAB CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(O)c1)c1ccccc1 40267050 LMMOOTNFFWMFTG-MRXNPFEDSA-N 327.384 1.750 0 40 EDAB C[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C(=O)O 569724603 XWPJINNNRITKCF-GWCFXTLKSA-N 340.401 1.665 0 40 EDAB Cn1c(Cl)nc2ccc(C(=O)NCCCN3CCOCC3)cc21 225987998 ZOTURBVEULVCIK-UHFFFAOYSA-N 336.823 1.679 0 40 EDAB CC(C)CN1C[C@@H](C(=O)NCc2nc(O)c3ccccc3n2)CC1=O 570939989 AHUYHFAMFSZCKX-LBPRGKRZSA-N 342.399 1.456 0 40 EDAB COc1cc(C)n(CCNC(=O)Cc2ccc3c(c2)OCO3)c(=O)c1 225616152 YQAOZHFMZAJVAR-UHFFFAOYSA-N 344.367 1.253 0 40 EDAB Cn1nnnc1N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 530486610 PWCGPIAUCCLXDP-LBPRGKRZSA-N 344.423 1.446 0 40 EDAB CCn1nc(C)cc1CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 226749035 OFTUCQNZLZNIPX-INIZCTEOSA-N 340.427 1.876 0 40 EDAB CN1CC[C@H]2CN(C(=O)C3(c4ccccc4)CC3)C[C@@]2(C(=O)O)C1 91746954 WDTCNELEYVPQLX-KXBFYZLASA-N 328.412 1.583 0 40 EDAB Cc1ccc(CN2CC[C@H]3[C@@H](CNS(C)(=O)=O)OC[C@H]3C2)s1 96187314 QRIUNJYFLVQYFB-BPLDGKMQSA-N 344.502 1.443 0 40 EDAB CC(C)[C@H](NC(=O)N1CC[C@@]2(CCOC2)C1)c1nnc2n1CCC2 96461955 SARQDYFTIIMLOR-WMLDXEAASA-N 333.436 1.743 0 40 EDAB CN1[C@@H](COCC2CC2)CCC12CCN(C(=O)c1cnn(C)c1)CC2 96209270 CMKRJJVQQQRDBG-QGZVFWFLSA-N 346.475 1.916 0 40 EDAB COc1ncnc2c1CN(C[C@H](O)COc1c(C)cccc1C)CC2 97202041 OMKJQOUPYVNLPE-HNNXBMFYSA-N 343.427 1.900 0 40 EDAB Cc1nnsc1C(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96365447 QSXZOSJKYFSOTI-GFCCVEGCSA-N 337.426 1.535 0 40 EDAB O=C(O)[C@]12CCCN(c3ncccn3)C[C@H]1CN(c1ccccn1)C2 96064273 UUWSUQIQFAHZEP-KSSFIOAISA-N 339.399 1.679 0 40 EDAB COC[C@@H]1CN(C(=O)c2cscn2)Cc2nnn(CC3CC3)c21 96045570 IRVAATSFDYLXDM-NSHDSACASA-N 333.417 1.531 0 40 EDAB Cc1ccc(CN2CCN(C(=O)C(C)C)C[C@]3(CCCC(=O)N3)C2)o1 96238353 HEJLWUCABPDIRJ-IBGZPJMESA-N 347.459 1.927 0 40 EDAB Cc1cc(CN2CC[C@@]3(C[C@H](NC(=O)N4CCCC4)CCO3)C2)no1 96207868 SKSDNYVWJUYOGP-CRAIPNDOSA-N 348.447 1.912 0 40 EDAB COc1ccc(CN2C[C@@H]3Oc4ncccc4C(=O)N(C)[C@@H]3C2)cc1 514290066 RPSHAWFMQDQMRO-SJORKVTESA-N 339.395 1.808 0 40 EDAB biogenic,in-vitro CN(C)c1cccc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)NC3CC3)C2)c1 96227602 UQYMLKIECUGKBL-APWZRJJASA-N 327.428 1.883 0 40 EDAB COCCN1CCC2(CCN(Cc3cccnc3OC)CC2)C1=O 96157763 CFOKWSOEFYYBSR-UHFFFAOYSA-N 333.432 1.551 0 40 EDAB C[C@H](CN1CCOCC1)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 91583931 NSSYUFCAJSNTCA-OLZOCXBDSA-N 337.386 1.098 0 40 EDAB Cn1c(CN2CCC[C@](O)(c3cnn[nH]3)C2)nc2cc(Cl)ccc21 583617408 HTDAMUGIANHPPC-MRXNPFEDSA-N 346.822 1.828 0 40 EDAB O=C(N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1)N1CCOCC1 96086846 TUYOLKLBPJETRE-OAHLLOKOSA-N 331.416 1.157 0 40 EDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 96427695 UMALNHAAGNPOKQ-CQSZACIVSA-N 340.493 1.843 0 40 EDAB O=C1NCCN(Cc2nnnn2-c2ccccc2)[C@H]1c1cccs1 96443524 WZZMFOLMLHRFTO-HNNXBMFYSA-N 340.412 1.397 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](C)(C(=O)OC)N[C@H]2c1ccccc1C 245230456 SEKYBLVOEUSLDW-AHXJXLJNSA-N 330.384 1.192 0 40 EDAB Cn1nccc1C(=O)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 248053994 RWZUGPPMXOWCGX-AWEZNQCLSA-N 344.440 1.732 0 40 EDAB Cc1cc(C)cc(CN2CCN3C[C@@H](C(=O)O)CN(C)C[C@@H]3C2)c1 248109933 HAAJGIZHSDYHTL-ZWKOTPCHSA-N 331.460 1.436 0 40 EDAB Cc1nn(C)c(C)c1CN1CCO[C@H](c2ncc(CN(C)C)[nH]2)C1 257320475 VWZCZLFWFAPAFR-INIZCTEOSA-N 332.452 1.395 0 40 EDAB CC(C)(C)C(=O)N1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1 257257775 KRAAASURZUWUPQ-SFHVURJKSA-N 330.432 1.963 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1)c1cccnc1 252509385 YMTWPWOAYKHQSG-YQQAZPJKSA-N 344.459 1.292 0 40 EDAB Cc1cncc(C(=O)N[C@@H]2CC[C@@H](N3CCN4C(=O)CC[C@H]4C3)C2)c1 585087467 PZHIIDPHTGXXQO-ZACQAIPSSA-N 342.443 1.348 0 40 EDAB CC(=O)N1CCN(CC(=O)N(C)C)[C@@H](c2ccc(OC(C)C)cc2)C1 257332091 XVSCZYQQFJUKQM-GOSISDBHSA-N 347.459 1.767 0 40 EDAB CC(=O)N1CC2(CCN(Cc3ccnc(C)n3)CC2)C[C@]1(C)CO 257274808 NMSQWBAWAVVJJC-QGZVFWFLSA-N 332.448 1.370 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]3CCCCN32)C1 585122262 UIMKDSWVAMSXRW-BRWVUGGUSA-N 333.476 1.768 0 40 EDAB CCn1nccc1-c1cc(C)nc(C2CCN(S(C)(=O)=O)CC2)n1 257323202 WJDXXRMYNPKLBS-UHFFFAOYSA-N 349.460 1.807 0 40 EDAB CNC(=O)CN1CCC(c2nccnc2Nc2cccc(C)n2)CC1 257236869 HEDAMIQYWLIYPL-UHFFFAOYSA-N 340.431 1.849 0 40 EDAB O=C(O)c1ccc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 263437795 OZXRJIDHSALFSK-LLVKDONJSA-N 344.289 1.668 0 40 EDAB CCc1cc(=O)n(CCNC(=O)NCCOc2ccccc2)cn1 86071706 YMYJEUXIZYSBNH-UHFFFAOYSA-N 330.388 1.184 0 40 EDAB COCCn1c(C(=O)N2CC[C@H](C(=O)N(C)C)C2)cc2ccccc21 1615049433 RMOQKFCQJBHPNC-HNNXBMFYSA-N 343.427 1.838 0 40 EDAB CC(C)n1cc(CNC(=O)N2CCC[C@H](C3CC3)C2)c(O)nc1=O 1615546184 MJRZKMWINVFEAS-ZDUSSCGKSA-N 334.420 1.861 0 40 EDAB Cc1cc(C)nc(O[C@H]2CCN(S(=O)(=O)c3cccnc3)C2)n1 390827645 ILQBOFHCHBKOCQ-ZDUSSCGKSA-N 334.401 1.330 0 40 EDAB CCCCNC[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O 585289843 KSZXZNUXYTYMBU-RDJZCZTQSA-N 340.851 1.668 0 40 EDAB CS(=O)(=O)CCSc1nnc([C@H]2COc3ccccc3O2)o1 57850337 DGUGLKPLAWELKW-LLVKDONJSA-N 342.398 1.719 0 40 EDAB COCCn1ccc(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)n1 58391532 VAZFGGTZEBTKRJ-FMKPAKJESA-N 338.452 1.602 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N(C[C@H](C)O)c2ccccc2)cc1 58344505 FXDDAQBHHCDBFQ-ZDUSSCGKSA-N 348.424 1.622 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCC[C@H]2CN2CCCC2)c2ccccc21 58412002 ZSFIJRAAGDZULN-HNNXBMFYSA-N 342.443 1.427 0 40 EDAB COc1ccc(C2(CNC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CCOCC2)cc1 56452579 IOXSRTVIHBMENM-CABCVRRESA-N 334.372 1.525 0 40 EDAB CC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccs2)CC1 59429682 QJFLPZKPCINRKY-HNNXBMFYSA-N 335.473 1.697 0 40 EDAB Cc1ncc(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)c(N)n1 552183215 IHMGSIIPHWORSB-JTQLQIEISA-N 331.342 1.258 0 40 EDAB CN1CC[C@H]2CC(=O)N(C)C[C@H](O)C(C)(C)COCCC[C@H]2C1 1534613290 RJWMHUZKRMDXAX-JYJNAYRXSA-N 326.481 1.600 0 40 EDAB CC[C@@H](C)NC(=O)COC(=O)CCN1C(=O)COc2ccccc21 5565573 AKFHOCMTWZGCBD-GFCCVEGCSA-N 334.372 1.260 0 40 EDAB CN1CCN(C(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)CC1 19937672 XCPZQELCTBRSTJ-UHFFFAOYSA-N 346.818 1.407 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 169304910 GBRAYANSGPYTCE-UHQDVWGKSA-N 348.374 1.413 0 40 EDAB NC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CCCCC2 4176885 SJNGEZAFEFDTMH-UHFFFAOYSA-N 349.412 1.203 0 40 EDAB Cc1cc(Nc2nccs2)nc([C@@H]2CCCN(C(=O)CN)C2)n1 643550481 IKUJCSWFTHAGKD-LLVKDONJSA-N 332.433 1.650 0 40 EDAB O=C1N[C@@]2(CCCN(C(=O)CCn3ccnc3)C2)Nc2ccccc21 12087592 OINGRBWMOKFRRL-GOSISDBHSA-N 339.399 1.447 0 40 EDAB O=C(NC1CN(c2cnccn2)C1)c1cccc(OC(F)(F)F)c1 1888857220 LHFSWEHLFVCTRY-UHFFFAOYSA-N 338.289 1.994 0 40 EDAB Cc1noc(C)c1CC(=O)N1C[C@H]2CN(c3cnccn3)C[C@@H]2C1 1888863485 BYHIPWQDWBAVPO-ZIAGYGMSSA-N 327.388 1.219 0 40 EDAB Cn1cc(C(=O)N2C[C@H]3CCC[C@]3(COc3ncc(F)cn3)C2)cn1 1888869526 MZPRCUOSCBOSIZ-CXAGYDPISA-N 345.378 1.671 0 40 EDAB Cc1cc(-c2noc(CNS(=O)(=O)c3ccc(C)s3)n2)no1 238951436 WZZCCOTZSSHFOO-UHFFFAOYSA-N 340.386 1.881 0 40 EDAB Cn1cnc(C(=O)N2CC3(C[C@@H](NCc4cccnc4)CS3)C2)c1 2056224465 REZUXCBDPZDQTA-CQSZACIVSA-N 343.456 1.305 0 40 EDAB Cn1cnc(C(=O)N2CCC3(CCN(Cc4nccs4)C3)CC2)n1 1035182694 QIDJWVOONBMXDP-UHFFFAOYSA-N 346.460 1.400 0 40 EDAB O=C(NC1CC2(CCN(C(=O)c3csnn3)C2)C1)c1ccncc1 1565552817 XXRCBKNVGZLZPT-UHFFFAOYSA-N 343.412 1.358 0 40 EDAB Cc1ncnc(C(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@H]3C2)c1C 1565546013 UFFDEFZBRLWCOV-CVEARBPZSA-N 332.448 1.665 0 40 EDAB CCCN(CC)C(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713705 ABCJZBORVIEMGF-CQSZACIVSA-N 332.448 1.940 0 40 EDAB O=C(CN1CCO[C@@H](C(=O)N2CCCCC2)C1)Nc1ccc(F)cc1 2086867290 FTOPFITUOXXMBX-MRXNPFEDSA-N 349.406 1.478 0 40 EDAB Cc1cnc(NC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)s1 575617540 FHBTZQSGRRHKLA-JTQLQIEISA-N 344.404 1.290 0 40 EDAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccno1 206793065 ZROOHHNSQBYPPN-JQWIXIFHSA-N 334.303 1.649 0 40 EDAB Cc1cnc(C(=O)NCc2nnc3c(C(F)(F)F)cccn23)cn1 225809243 WSYYQYSDEUTWMY-UHFFFAOYSA-N 336.277 1.777 0 40 EDAB C[C@@H]1CN(C(=O)CN2CCC[C@H](COc3cnccn3)C2)C[C@@H](C)O1 2298048295 NKQYWSXOUNGLJV-OAGGEKHMSA-N 348.447 1.203 0 40 EDAB CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccnc1 40090196 BJNPONVPWWACDG-UHFFFAOYSA-N 325.415 1.080 0 40 EDAB Cn1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1=O 30523678 YNGVGOAYNKLRFB-UHFFFAOYSA-N 341.411 1.148 0 40 EDAB Cc1cc(C)n(CCCNC(=O)CN(C)C(=O)c2ccccc2)n1 30616690 LEIJRKFBSNFHPM-UHFFFAOYSA-N 328.416 1.778 0 40 EDAB CN(C)C(=O)C1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 40466150 GGMGVTQPSMNISQ-UHFFFAOYSA-N 348.834 1.648 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)CCn2c(C)csc2=O)cc1 31528775 MYJNAUULQPKEQB-UHFFFAOYSA-N 347.440 1.627 0 40 EDAB NC(=O)CC1CCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 40542551 XGAJBJPZUFRKNO-UHFFFAOYSA-N 338.791 1.839 0 40 EDAB CN(CCCNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)S(C)(=O)=O 40515406 GNTDIXKQBMKUID-ZDUSSCGKSA-N 346.836 1.041 0 40 EDAB NC(=O)c1ccc(-c2nnn(C[C@@H](O)c3c(F)cccc3F)n2)cc1 51289253 NAECXAOIJNGIEO-CYBMUJFWSA-N 345.309 1.451 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NCCN2CCCCCC2=O)cc1 32308443 OZOQZFJXWRDMIT-UHFFFAOYSA-N 338.429 1.223 0 40 EDAB CN(C)c1ncccc1CNS(=O)(=O)c1ncn(C)c1Cl 32438062 BHUAAYFPQWUSFP-UHFFFAOYSA-N 329.813 1.013 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(Cc1ccc(F)cc1)C1CC1 21069211 SNOCXAWGHZKNSI-UHFFFAOYSA-N 345.374 1.635 0 40 EDAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102077195 JFGHOLDGIPCTTE-CNGUFQHNSA-N 336.391 1.987 0 40 EDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 41179497 UDLRQHPLQOCIAP-HNNXBMFYSA-N 344.371 1.133 0 40 EDAB COc1ccc(Cn2nnnc2S[C@H]2CCCCNC2=O)cc1 32871743 JFSNNHGHSWEZMK-ZDUSSCGKSA-N 333.417 1.491 0 40 EDAB CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 548734 CWIYXQGIFONLJE-LSDHHAIUSA-N 334.347 1.485 0 40 EDAB O=C(Nc1ccccn1)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 53263977 WZWPVQRKQQCANY-UHFFFAOYSA-N 335.360 1.867 0 40 EDAB O=C(NCCNc1nc2ccccc2s1)[C@@H]1CC(=O)N(C2CC2)C1 47476502 FQOOKROMLOMSNR-LLVKDONJSA-N 344.440 1.835 0 40 EDAB C[C@]1(NC(=O)CCc2ccc3c(c2)OCO3)CCS(=O)(=O)C1 22741220 WXFVPBHQHMHTMQ-HNNXBMFYSA-N 325.386 1.041 0 40 EDAB CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 787179 NPPRJZKEWVOECQ-LBPRGKRZSA-N 334.372 1.349 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CS[C@@H]2CCCCNC2=O)c1 78555562 OEJLUJOOGDJOCM-CQSZACIVSA-N 342.486 1.839 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN(C)c2ncnc3[nH]cnc23)cc1 78567391 OPPIZYOJKOHOBY-UHFFFAOYSA-N 346.416 1.076 0 40 EDAB O=C(Cn1cc(I)cn1)Nc1ccccn1 1432968 PFDXEDLKTUTFRK-UHFFFAOYSA-N 328.113 1.521 0 40 EDAB Cn1nnc(-c2cccc(NC(=O)C[C@@H]3NC(=O)c4ccccc43)c2)n1 79486955 KXIBTVKTBJXDRK-HNNXBMFYSA-N 348.366 1.690 0 40 EDAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 3194460 XBOCMYITRAHBDB-UHFFFAOYSA-N 346.817 1.788 0 40 EDAB COCCCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4983838 UFXXPBFWCNLFKP-SSZFMOIBSA-N 327.384 1.938 0 40 EDAB NC(=O)c1cnc(N2CCN(Cc3cscn3)CC2)c(Cl)c1 54981661 GYRIAYXNCRDGMJ-UHFFFAOYSA-N 337.836 1.613 0 40 EDAB CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 6734642 HBXPSPMHXNTNCW-SNVBAGLBSA-N 346.836 1.495 0 40 EDAB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OCC 6959263 IFMWURCITMPKOL-WDZFZDKYSA-N 347.758 1.853 0 40 EDAB O=C(Nc1nnc(C2CC2)s1)N1CCN(c2cnccn2)CC1 43361473 NZELJPHLODBGDS-UHFFFAOYSA-N 331.405 1.560 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1ccc2c(c1)CCC2 95949530 SMJNSCAJBFACLK-UHFFFAOYSA-N 340.427 1.823 0 40 EDAB CC(=O)N1CCN([C@H]2CN(Cc3sc(C)nc3C)C[C@@H]2C)CC1 107058278 WRTKMOZBDHFZEN-LRDDRELGSA-N 336.505 1.744 0 40 EDAB CC(=O)N1CCN([C@H]2CN(Cc3sc(C)nc3C)C[C@H]2C)CC1 107058277 WRTKMOZBDHFZEN-WBMJQRKESA-N 336.505 1.744 0 40 EDAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2F)C1 56073263 MMUKLGKUZFNRPF-JTQLQIEISA-N 348.371 1.864 0 40 EDAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(C(=O)OCC)c1N 34929148 RFMNBDSXICCILF-UHFFFAOYSA-N 333.344 1.817 0 40 EDAB CCN(C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C(C)C 97141734 KKPFPKUOBZPLQZ-UHFFFAOYSA-N 338.496 1.713 0 40 EDAB CC(C)S(=O)(=O)CCCN1CCCN(C(=O)c2ccco2)CC1 95965451 ZJEVJYDIAQPBRE-UHFFFAOYSA-N 342.461 1.641 0 40 EDAB O=C1CN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CCN1 57303475 SFQTULJWGDLHJI-UHFFFAOYSA-N 347.802 1.648 0 40 EDAB C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)NCc2ccco2)C1=O 58175177 DKMLNYLFAPODGJ-QGZVFWFLSA-N 345.330 1.502 0 40 EDAB CC(=O)N[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C 44874623 YBMKKNKACXITCJ-ABAIWWIYSA-N 340.445 1.428 0 40 EDAB Cc1ccc([C@@H](CNC(=O)c2c(C)noc2C)N2CCOCC2)o1 48278996 MEWKDOAEFXPWBP-CQSZACIVSA-N 333.388 1.996 0 40 EDAB CCOC(=O)c1ccc(N2CCCN(C(=O)c3cc[nH]n3)CC2)nc1 58299701 XLYORQSMDOITRR-UHFFFAOYSA-N 343.387 1.334 0 40 EDAB Cc1cc(Br)ccc1C(=O)NC[C@@H]1CN(C)CCO1 58268551 LJNBPMUJRFADLQ-GFCCVEGCSA-N 327.222 1.818 0 40 EDAB CN(CCCc1ccccc1)C(=O)CCc1nc(-c2nc[nH]n2)no1 58267357 HFAWVBFLBVHEFV-UHFFFAOYSA-N 340.387 1.879 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)CN2CCSC2=O)CC1 44942839 MHWUAVKPMZGKGU-UHFFFAOYSA-N 338.433 1.104 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCO[C@H]2CCCC[C@H]21 44969860 UDSAMWWMENPDIM-CVEARBPZSA-N 327.384 1.567 0 40 EDAB CCn1nc(C)c2c1cnn2CCNS(=O)(=O)c1cccs1 57279741 LIVDSWOIRVHBPP-UHFFFAOYSA-N 339.446 1.601 0 40 EDAB N[C@@](CC[P@](=O)(O)CCC(=O)O)(Cc1ccccc1)C(=O)O 2139919 OQNIZLXTZZLTLI-AWEZNQCLSA-N 329.289 1.146 0 40 EDAB biogenic O=C(NO[C@H]1CCCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 58377075 QYDAUGVHLQYBLH-ZBEGNZNMSA-N 348.355 1.343 0 40 EDAB O=C(Nc1ncccn1)C1CCN(C[C@H](O)c2ccc(F)cc2)CC1 58341250 SXPCINKGZICZBO-INIZCTEOSA-N 344.390 2.000 0 40 EDAB O=S(=O)(N1CCCCCC1)N1CCN(CC(F)(F)F)CC1 58557317 JNKHZBJUEFBNEK-UHFFFAOYSA-N 329.388 1.287 0 40 EDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 45263212 OQEPOLREQHPBBN-ZDUSSCGKSA-N 347.415 1.226 0 40 EDAB CCn1nccc1CN(C)S(=O)(=O)c1cc(OC)ccc1OC 28219247 LSVIPIYEYLQUSC-UHFFFAOYSA-N 339.417 1.741 0 40 EDAB CN(C1CCN(C(=O)c2c(F)cccc2Cl)CC1)S(C)(=O)=O 58876446 RDMITGMYOHCFKN-UHFFFAOYSA-N 348.827 1.975 0 40 EDAB CCN(CC)C(=O)CS(=O)(=O)c1cc2c(cc1Cl)OCCO2 67488608 LMTVBTRPZLGUGB-UHFFFAOYSA-N 347.820 1.753 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)C1 84686258 GNXDYUWTRSCNBF-TWMKSMIVSA-N 339.480 1.411 0 40 EDAB CCC(=O)N1CCN(c2ccccc2[C@@H]2C[C@H](C(=O)O)CC2=O)CC1 57328001 LDSLACXRXNYJAA-ZFWWWQNUSA-N 344.411 1.893 0 40 EDAB CN(C)CCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355064 LOYNMEURONHTEA-WMLDXEAASA-N 335.423 1.803 0 40 EDAB Cc1cccc(Cn2ccc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)n2)c1 102015145 UZRFOVBQZBITPB-OTRWWLKZSA-N 337.379 1.907 0 40 EDAB CS(=O)(=O)NCc1ccc(-c2nc(Cc3ccccc3)no2)o1 84734762 LFLGXZAACAFFAV-UHFFFAOYSA-N 333.369 1.970 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)c1ccco1 48300437 DFWUDGHJMQSDSW-OCCSQVGLSA-N 341.367 1.620 0 40 EDAB COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)C[C@@H]1CCCO1 46117656 DIOKHRRUJUMHCZ-NEPJUHHUSA-N 327.402 1.616 0 40 EDAB CC(=O)NCCNC(=O)c1nccnc1-c1nc2ccccc2s1 12852665 QHPREWDHYGYYCD-UHFFFAOYSA-N 341.396 1.619 0 40 EDAB CN1N=C(C(=O)NCCCN2CCc3ccccc3C2)CCC1=O 29840669 FDWIPFDMPWCNJV-UHFFFAOYSA-N 328.416 1.159 0 40 EDAB CNC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 2643256 ZNXQDLMOMCISOW-IBGZPJMESA-N 337.379 1.422 0 40 EDAB Cn1nc(C(=O)N2CCN(c3ccccn3)CC2)cc1C(F)(F)F 2782017 FURJWDVCCJWYKI-UHFFFAOYSA-N 339.321 1.796 0 40 EDAB C[C@@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C)C1 46954261 IGQPYCPIIVWCDP-HZSPNIEDSA-N 348.534 1.143 0 40 EDAB COc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccc(CNC(C)=O)o2)cc1 95444130 GZXBJJMLWZLQLE-GTNSWQLSSA-N 346.383 1.776 0 40 EDAB CCOC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)C1CCCCC1 3895765 GKDPXXBZGIVKCT-CQSZACIVSA-N 326.437 1.777 0 40 EDAB COC(=O)CSc1nnc(-c2cc(-c3ccc(F)cc3)[nH]n2)n1N 9014979 HVUUBEAXRDHOGV-UHFFFAOYSA-N 348.363 1.453 0 40 EDAB C[C@H]1CCc2c(sc3nc(CSc4nnnn4C)[nH]c(=O)c23)C1 13597947 QVBZBBLAUBWENK-ZETCQYMHSA-N 348.457 1.925 0 40 EDAB COC(=O)N1CCC(NC(=O)NCc2ccc3c(c2)OCCO3)CC1 60035560 LWHKDYMRRYZKOX-UHFFFAOYSA-N 349.387 1.488 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CC1 6084510 WAUGXXCIBLBDEP-UHFFFAOYSA-N 340.401 1.137 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 22052631 VGZNAIDAUTTZNO-HNNXBMFYSA-N 348.399 1.906 0 40 EDAB in-vitro O=C(CC(=O)N1CCN(Cc2cccs2)CC1)NCC(F)(F)F 96000695 CUOGRFBKQZAIKU-UHFFFAOYSA-N 349.378 1.461 0 40 EDAB CC[C@@H](C)N(Cc1ccccc1)C(=O)CN1CCS(=O)(=O)CC1 65495799 JOSFQZHHSFFKHI-OAHLLOKOSA-N 338.473 1.544 0 40 EDAB CCOc1ncccc1C(=O)N1CCN(Cc2cc(C)no2)CC1 65574941 BEAJXAMOYGPWKD-UHFFFAOYSA-N 330.388 1.735 0 40 EDAB CN(CCc1ccccn1)C(=O)CNC(=O)NCc1ccccc1F 67017279 PCNGHSGVQIWHAY-UHFFFAOYSA-N 344.390 1.721 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)s1 67879613 AHEWRORPEWYHQM-VXGBXAGGSA-N 345.490 1.841 0 40 EDAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)N3CCCC3)cc2)C1=O 15843060 WCHATXOQLFNEKZ-UHFFFAOYSA-N 336.413 1.625 0 40 EDAB NC(=O)[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 71794105 FOXSKIRABMYPHX-GOSISDBHSA-N 334.379 1.758 0 40 EDAB Cc1cnc(NCC[C@@H]2CCOC23CN(Cc2cnn(C)c2)C3)nc1 306123416 AMIRGJPAINZQNQ-MRXNPFEDSA-N 342.447 1.612 0 40 EDAB O=C(c1ccc(NC2CC2)nc1)N1CCCC[C@H]1CN1CCOCC1 70004114 YBIXFJTYJODHLW-KRWDZBQOSA-N 344.459 1.983 0 40 EDAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)N(C1CC1)[C@H]1CC(O)=NC1=O 71862934 QJKSLAQAQZHKFD-RISCZKNCSA-N 349.431 1.708 0 40 EDAB CCc1[nH]c(C(=O)N2CC(Oc3ccncc3)C2)c(C)c1C(=O)OC 69368031 KQOMKJNRVKTRPD-UHFFFAOYSA-N 343.383 1.971 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCN(c3cccnc3)C2)c1C 69349757 VRRXTTBBOSKMOY-CYBMUJFWSA-N 342.399 1.822 0 40 EDAB CC(C)C[C@H](NC(=O)Nc1ccncc1)C(=O)N1CCC(CO)CC1 69389218 FZUKNQNWVFRTJC-INIZCTEOSA-N 348.447 1.849 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3c(C)noc3C(C)C)CC2)n1 71819934 JZZXZNYGENUBIX-UHFFFAOYSA-N 345.403 1.867 0 40 EDAB O=C(CCNc1ncccn1)N1CCC(Nc2cccnn2)CC1 71863376 CPNXHXBYABYSNK-UHFFFAOYSA-N 327.392 1.172 0 40 EDAB CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cnn(C2CCCCC2)c1 71896117 RAAUDRFJCAJHEU-AWEZNQCLSA-N 336.461 1.992 0 40 EDAB O=C(Cc1noc2ccccc12)N(C1CC1)[C@H]1CCS(=O)(=O)C1 71814846 SZLCWCIIUZFWDG-LBPRGKRZSA-N 334.397 1.548 0 40 EDAB CN(C)CCn1cc(C(=O)N2CCC[C@@H](C(N)=O)C2)c2ccccc21 69433446 HIMWCRVALHMASL-CQSZACIVSA-N 342.443 1.540 0 40 EDAB CCCCNC(=O)CNc1ccccc1C(=O)N1CCC[C@@H](O)C1 69488337 LZEIMXBCIHXPTK-CQSZACIVSA-N 333.432 1.612 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(Cc1ccco1)C1CC1 69509895 PIHMOHZGXQMSSL-UHFFFAOYSA-N 340.383 1.966 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)CCc3cscn3)CC2)n1 69560060 ZIIUDTOCIQLGPM-UHFFFAOYSA-N 347.444 1.613 0 40 EDAB CC(=O)Nc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CC(N)=O)cc1 69570501 GZEYANWWUOJSJK-OJXHRBAXSA-N 329.400 1.915 0 40 EDAB Cc1nnc2n1CCN(c1ccc3nnc(-c4ccccc4)n3n1)C2 69511242 OLMOYNMRWCGPHB-UHFFFAOYSA-N 332.371 1.711 0 40 EDAB CN1N=C(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)CCC1=O 91764236 JDIGOOZPCAFWBR-IINYFYTJSA-N 337.326 1.207 0 40 EDAB Cc1nc(NC(=O)CN2CCCC[C@H]2Cn2cncn2)sc1C 69625033 XLHYBXGVXZDQHU-ZDUSSCGKSA-N 334.449 1.845 0 40 EDAB O=C(NCc1sccc1Br)N[C@H]1CCCCNC1=O 69751357 LBAZXZSUVMBEQR-VIFPVBQESA-N 346.250 1.979 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnn(C[C@@H]2CCCO2)n1 71910033 RPFTZRJRXRTWQU-GJZGRUSLSA-N 329.404 1.979 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)NC[C@@H](OC)c2ccccc2)C1 71924641 URMIBAMTLIKBIY-HUUCEWRRSA-N 335.404 1.904 0 40 EDAB NC(=O)C1CCN(CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 69814533 XYPWUFCOQFPYDN-UHFFFAOYSA-N 347.312 1.980 0 40 EDAB CN(CC(=O)N1CCC1)CC1CCN(C[C@H](O)c2ccccc2)CC1 69815404 HKSVHHYJHIZTAB-IBGZPJMESA-N 345.487 1.596 0 40 EDAB O=C(COc1ccc(F)cc1F)N[C@H]1CCO[C@]2(CCOC2)C1 95457913 DOZQZMPCAVPDOO-BLLLJJGKSA-N 327.327 1.798 0 40 EDAB CN1CCN(CCCN(C)S(=O)(=O)c2cc(F)ccc2F)CC1 69951839 SGOIGDMQJYRYAN-UHFFFAOYSA-N 347.431 1.223 0 40 EDAB CC(C)c1ccc(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 8729112 LDAWHBFRLFLOQW-NSHDSACASA-N 344.415 1.473 0 40 EDAB CC1CCC(N2C[C@H](C(=O)N[C@H]3CCC(=O)N(C)C3)CC2=O)CC1 72291520 UAOYNUOBZDWAQM-FUUBYGMNSA-N 335.448 1.151 0 40 EDAB C[C@@H](CC(=O)Nc1ccc(F)cc1)NCC(C)(C)S(C)(=O)=O 95968917 NEPXSIJEPMLGLP-NSHDSACASA-N 330.425 1.956 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 75111341 OFDIUIKYKNZPRM-INIZCTEOSA-N 345.399 1.533 0 40 EDAB Cc1cnc([C@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C2CC2)s1 89702382 IZTNAXFMEUHQTJ-BXUZGUMPSA-N 334.445 1.965 0 40 EDAB O=C(CN1CCCCC[C@H]1C[C@H](O)c1ccco1)N1CCOCC1 89794364 APWIWXVTHLURFQ-HOTGVXAUSA-N 336.432 1.807 0 40 EDAB CC(C)n1ncc2cc(/C=C/C(=O)NCc3ccnn3C)c(=O)[nH]c21 89893880 UWNVOLSEEVIPGH-SNAWJCMRSA-N 340.387 1.369 0 40 EDAB CC(C)[C@H](C(=O)N1CCC(O)(C(F)(F)F)CC1)N1CCCC1=O 89951211 CCIXEARSKPVSNI-GFCCVEGCSA-N 336.354 1.549 0 40 EDAB CCO[C@@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C12CCCCC2 76022966 UGVRIDUNMZAZLX-UONOGXRCSA-N 349.431 1.123 0 40 EDAB NC(=O)Cn1cc(C(=O)NCC2(c3cccs3)CCCCC2)nn1 76066320 CREDCFUXHBDASF-UHFFFAOYSA-N 347.444 1.457 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3cc4c(C)nn(C)c4s3)CCO2)n1 76044994 DRSBFCUDOYISKG-NSHDSACASA-N 346.416 1.583 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 76019171 ANTLTUNZQBXGPQ-UHFFFAOYSA-N 347.488 1.787 0 40 EDAB COCc1nc(C)cc(NC2CCN(c3nc(C)cc(O)n3)CC2)n1 1548488610 UPPQXSKFLMCNEC-UHFFFAOYSA-N 344.419 1.816 0 40 EDAB O=C(Cc1cccc(C(=O)O)c1)N[C@@]1(CO)COc2ccccc2C1 1550930553 GWRMVAHKQVFRKG-IBGZPJMESA-N 341.363 1.410 0 40 EDAB CN1CCc2ncnc(N3CCCN(c4nccs4)CC3)c2C1 65474983 WSGHDPTXGWYONT-UHFFFAOYSA-N 330.461 1.638 0 40 EDAB CC[C@H](CO)NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707795 QQLLRWHBPXPSHW-QGZVFWFLSA-N 340.423 1.822 0 40 EDAB CC(C)CNS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCC1 217424914 BHXNCWSHSVXKOX-UHFFFAOYSA-N 326.418 1.919 0 40 EDAB Cc1c2nnn(CC(=O)Nc3cccc(Cl)c3)c(=O)c2nn1C 32647254 OFMFYUQRDYHGSS-UHFFFAOYSA-N 332.751 1.126 0 40 EDAB Cc1cccc(NC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)c1C 78556420 AOSKAATVVHCEOM-UHFFFAOYSA-N 343.427 1.855 0 40 EDAB CC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccccc3)C2)CC1 78604733 MAYRLDFFBNIVBO-INIZCTEOSA-N 330.432 1.575 0 40 EDAB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](O)C2CCCCC2)c1 69970359 VPMWDIOAARDMBS-MRXNPFEDSA-N 347.415 1.641 0 40 EDAB CC(C)N(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CN 79392951 VHNFYEITJIWGBW-INIZCTEOSA-N 333.432 1.841 0 40 EDAB COc1ccc(F)cc1C[C@@](O)(C1CCOCC1)[C@@H]1CNCCO1 38342901 CPBHSHYQQLFAPW-ZWKOTPCHSA-N 339.407 1.523 0 40 EDAB investigational O=C1c2cnc(N3CCC(O)CC3)nc2CN1CCc1ccccc1 72260022 DCZMNYINUANNLR-UHFFFAOYSA-N 338.411 1.636 0 40 EDAB COc1ccc2nnc(CCCC(=O)NCCc3ccccc3)n2n1 72404282 LAVJTMGAQVXZNF-UHFFFAOYSA-N 339.399 1.815 0 40 EDAB COc1cc2nc(C)n(CC(=O)NCC(C)C)c(=O)c2cc1OC 72325729 RSNHKKIKLIJODT-UHFFFAOYSA-N 333.388 1.494 0 40 EDAB biogenic CCOC(=O)[C@@H]1[C@H](C(C)=O)C(=O)N1Cc1ccc(OC)cc1OC 218272828 KBTAFYOUYBIMNY-GJZGRUSLSA-N 335.356 1.183 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H](C)S(=O)(=O)c2ncccc2Cl)C[C@@H](C)O1 78556395 IUBUIUOHOLGJBQ-GMTAPVOTSA-N 346.836 1.533 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CCc2ncc(C(=O)O)cn2)cc1 49468398 ZFXDMNHYELVJQV-UHFFFAOYSA-N 335.385 1.210 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2cnnn2)cc1 47328511 VKPJXMNNEBZMRQ-UHFFFAOYSA-N 343.368 1.666 0 40 EDAB COc1ccc(NC(=O)[C@]2(C)CCCN(C)S2(=O)=O)cc1OC 225952909 UISYJCQASOFXGS-HNNXBMFYSA-N 342.417 1.456 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCCSc2ncn[nH]2)c(C)c1 222974259 KTZSCZFDGIHQLH-UHFFFAOYSA-N 326.447 1.801 0 40 EDAB C[C@@H](NC(N)=O)C(=O)NCc1ccc(CN2CCCCCC2)cc1 63679927 YISHNEHMKDHYFC-CQSZACIVSA-N 332.448 1.736 0 40 EDAB COc1ccccc1NC(=O)CN1CCN(Cc2ccc[nH]2)CC1 190690828 DPXDAKOKRCBQJI-UHFFFAOYSA-N 328.416 1.780 0 40 EDAB Cc1cc(CN2C[C@@H]3CN(CC4CCOCC4)CCO[C@@H]3C2)no1 96108008 WQYMOSLQTMTYNC-FUHWJXTLSA-N 335.448 1.542 0 40 EDAB COC(=O)N1CCN(C(=O)CCN(Cc2ccccc2)C(C)=O)CC1 96402819 AYBKYKNSVZLPOZ-UHFFFAOYSA-N 347.415 1.336 0 40 EDAB Cc1ncccc1NC(=O)C1=NO[C@]2(CCN(C(=O)NC3CC3)C2)C1 96226148 CQZPZWPTKKZERF-QGZVFWFLSA-N 343.387 1.421 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ncn(C)c21 96044772 XESAVCSGIQGVDY-LBPRGKRZSA-N 329.356 1.535 0 40 EDAB Cc1cnc(N2CCO[C@@]3(CCCN(c4ccc(C)nn4)C3)C2)nc1 96226542 QAOFWABXTSMQPY-GOSISDBHSA-N 340.431 1.759 0 40 EDAB COc1ncccc1CN1CC[C@@H]2[C@@H]1CC(=O)N2CC1CCOCC1 96063858 DMOTUXPOTRHRMS-SJORKVTESA-N 345.443 1.692 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3CCCO[C@@H]3[C@H](N3CCOCC3)C2)cn1 96040618 BLVKVONQEYWDMN-KSZLIROESA-N 345.443 1.342 0 40 EDAB COc1ccc2[nH]cc(CC(=O)N3CCN(C(=O)C4CC4)C3)c2c1 580062227 QDKCVPNODPPGLB-UHFFFAOYSA-N 327.384 1.757 0 40 EDAB Cc1cccc(S(=O)(=O)NC[C@@H](C(=O)O)C2CCOCC2)c1 580064596 MKSUXMWOVVRLSX-CQSZACIVSA-N 327.402 1.401 0 40 EDAB COc1ncccc1CN1CCC2(CCCN2S(C)(=O)=O)CC1 96159399 SCUSXRHOLPAKEI-UHFFFAOYSA-N 339.461 1.480 0 40 EDAB O=C(C1CCOCC1)N1CCC2(CC1)CCN(c1ncccn1)C2 96046612 QLEXYTUVLNJZHI-UHFFFAOYSA-N 330.432 1.722 0 40 EDAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccncc2F)cn1 96184621 QBWHKLPSJTVUGV-JKSUJKDBSA-N 329.379 1.443 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 96432101 JVYFNUKKHZRNIZ-OCCSQVGLSA-N 333.413 1.484 0 40 EDAB Cn1ccnc1CN1CCN(CCn2cccn2)c2ncccc2C1 96069209 WGFQIRYRQCMERO-UHFFFAOYSA-N 337.431 1.534 0 40 EDAB CN1C(=O)CC[C@@]12CCCN(S(=O)(=O)c1ccc(F)cc1)CC2 96217639 OIOXTWXLJUMTFI-MRXNPFEDSA-N 340.420 1.991 0 40 EDAB O=C(CC1CC1)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1ccccn1 96219403 VQWUEUSMPIOMSE-KBXCAEBGSA-N 329.400 1.225 0 40 EDAB CCOc1ccnc(N2CCCN(Cc3cn(C)nc3CC)CC2)n1 97230910 CVVHZXGNRIWODY-UHFFFAOYSA-N 344.463 1.884 0 40 EDAB O=C(c1ccno1)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 96251711 CDGBWEHMKUNUJM-BQFCYCMXSA-N 339.395 1.917 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccsc2)Cc2nnn(C)c21 96198561 ZTXKVTPRTUNSLL-CYBMUJFWSA-N 349.460 1.081 0 40 EDAB COc1ncccc1CN1C[C@H]2OC[C@H](CC(=O)NCC3CC3)[C@H]2C1 96215724 DIHXILMQLQDSNR-GVDBMIGSSA-N 345.443 1.453 0 40 EDAB O=C1COC2(CCN(C(=O)c3cscn3)CC2)CN1CC1CC1 96201398 TUWFMXFATNBUDI-UHFFFAOYSA-N 335.429 1.387 0 40 EDAB COc1ccc(CC(=O)N2CCC[C@]3(C(=O)O)CN(C)C[C@@H]3C2)cc1 96185152 BNRXYAQWLCTLQM-BEFAXECRSA-N 346.427 1.493 0 40 EDAB O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCc1ccccn1 96418178 VAVJNHMOXRLRGM-UHFFFAOYSA-N 340.351 1.937 0 40 EDAB O=C(c1ccncc1)N1CCC[C@@]2(C[C@H](Oc3ncccn3)CO2)C1 96222626 SJUIOJMAFJHFAO-MAUKXSAKSA-N 340.383 1.714 0 40 EDAB COC(=O)N[C@H](C(=O)NCc1nnc2c(Cl)cccn12)C(C)C 585140490 FUFYZXIKKIFKIN-NSHDSACASA-N 339.783 1.380 0 40 EDAB CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@H](O)C2)c1 585121792 AANVDSXPPFDEBN-BJHJDKERSA-N 326.418 1.474 0 40 EDAB Cc1noc([C@@H]2CN(Cc3ccc4nc(O)[nH]c4c3)CCN2C)n1 585117695 SUTVVFPMDALPHO-AWEZNQCLSA-N 328.376 1.449 0 40 EDAB Cc1nccn1CC(=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257306466 SUIYDNOPXORMNQ-JFIYKMOQSA-N 329.400 1.669 0 40 EDAB CCn1nccc1-c1cncc([C@H]2CCCN(C(=O)COC)C2)n1 257210417 BUMVEWLGSQWTKX-ZDUSSCGKSA-N 329.404 1.712 0 40 EDAB CCc1cc(C(=O)N2CCOC[C@H]2CCc2nccnc2C)on1 257325146 WRRGMQKOARFGSF-CQSZACIVSA-N 330.388 1.809 0 40 EDAB Cn1nc(N)c2ccc([C@H]3CCCN(C(=O)Cn4cccn4)C3)nc21 257221301 DOJJSDIZSDSBSE-LBPRGKRZSA-N 339.403 1.153 0 40 EDAB COCC(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(C)=O)CC1 257301355 RYDANPDJSWXPBN-YDHLFZDLSA-N 339.461 1.889 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)ccn1 257309520 UBFPFLSFJUKJGM-CQSZACIVSA-N 333.388 1.186 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 257240345 HTBXHDMMCVNJOG-CQSZACIVSA-N 340.427 1.784 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(C(=O)c3cncnc3)CCO2)ccn1 257226500 FKWLDVKPHQBGJJ-INIZCTEOSA-N 341.415 1.411 0 40 EDAB CNCC(=O)N1CCC(CCCc2ccncc2)(C(=O)N(C)C)CC1 257237707 HHSWUYMILNDGBS-UHFFFAOYSA-N 346.475 1.321 0 40 EDAB CN(C)C(=O)[C@H]1CCN(Cc2cn(-c3ccccc3C(=O)O)cn2)C1 257229641 FYWXHRBALHUPMK-ZDUSSCGKSA-N 342.399 1.481 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)[C@H]3CCCOC3)CC2)cn1 257277972 OAEKOCVPLBOEMZ-INIZCTEOSA-N 346.475 1.746 0 40 EDAB CC(=O)N1CC2(CCN(Cc3cncc(C)c3)CC2)C[C@@]1(C)CO 257316912 VHNSZHJWRISIOT-SFHVURJKSA-N 331.460 1.975 0 40 EDAB COc1ccc(NC(=O)[C@@]23C[C@H]2CCN(C)S3(=O)=O)c(OC)c1 260836461 PTYWDTNGMALWIC-MEBBXXQBSA-N 340.401 1.066 0 40 EDAB CCOC(=O)c1nc(N2CC[C@@H](C(N)=O)C2)ccc1Br 603288243 OSOWXXHUFMPVMR-MRVPVSSYSA-N 342.193 1.332 0 40 EDAB C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C[C@@H](C)CN(C)C 1616038273 ZVNFQGBDGBCARN-SJORKVTESA-N 347.507 1.296 0 40 EDAB CC(C)c1nnc(COC2CN(C(=O)[C@H](O)c3ccccc3)C2)o1 606445793 LJCHPTRBGHFMJR-OAHLLOKOSA-N 331.372 1.654 0 40 EDAB O=C(Cn1nnc2ccccc21)NC1CCN(c2nccs2)CC1 96099833 QVKZWGVWKWCTBB-UHFFFAOYSA-N 342.428 1.673 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 390835068 CAUVTNHAGIJGGM-WFASDCNBSA-N 340.420 1.813 0 40 EDAB CS(=O)(=O)N1Cc2ccnn2CC[C@H]1COc1ncccc1F 585096946 FWAWHFSBEPQECC-LBPRGKRZSA-N 340.380 1.030 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2c3ccncc3C[C@@H]2C)cn1 585141143 QKXUPXDJMPKHJU-JTQLQIEISA-N 333.369 1.403 0 40 EDAB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)c1ccc(OC)cc1 585278778 VEGXQKBZBOQULW-HOTGVXAUSA-N 334.416 1.841 0 40 EDAB COC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)c1ccccc1 64844160 JTQZBLQWCHLDLP-BXUZGUMPSA-N 346.408 1.897 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1cccnn1 585287990 KXIKJKVQVYHSRC-SUMWQHHRSA-N 332.404 1.155 0 40 EDAB CCN(C(=O)CN1C(=O)N[C@@](C)(COC)C1=O)C1CCCCC1 66084011 MMPXDWUMVGSHTL-INIZCTEOSA-N 325.409 1.125 0 40 EDAB CCN(C(C)=O)c1nc(CN2CCC[C@@H]2Cn2cncn2)cs1 69840837 YEGZHELYVNTJCC-CQSZACIVSA-N 334.449 1.772 0 40 EDAB CCCc1nc(C)c(C(=O)NCCN2CCCS2(=O)=O)s1 61597741 ULUMBLUDVKQVGE-UHFFFAOYSA-N 331.463 1.169 0 40 EDAB Cc1cnc2c(S(=O)(=O)N[C@H](CC(N)=O)C3CC3)cccc2c1 75147523 WOMUGSGXOQJNFK-CYBMUJFWSA-N 333.413 1.476 0 40 EDAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(Cc2ncc[nH]2)CC1 75612256 FAWUHFPEGWAQQT-GFCCVEGCSA-N 349.385 1.833 0 40 EDAB CCCC[C@@H](CC)CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)NC 585088579 AYMWGKNWQXJFRN-KGLIPLIRSA-N 346.493 1.355 0 40 EDAB CS(=O)(=O)C1CCN(C(=O)CSc2ccc(F)cc2)CC1 96366106 PYQOACCZIOWHEG-UHFFFAOYSA-N 331.434 1.953 0 40 EDAB Cc1ccc(OCCOC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 5873890 OQPSSZRNTHTMFE-UHFFFAOYSA-N 346.383 1.782 0 40 EDAB O=C(NC[C@H]1CCCO1)c1ccc(=O)n(Cc2cccc(F)c2)n1 11781335 FDNLRNBHLWATPX-CQSZACIVSA-N 331.347 1.340 0 40 EDAB NC(=O)c1nc(-c2ccncc2)nc2c1[nH]c(=O)n2Cc1ccccc1 12114179 RMMRYCIDABIEAZ-UHFFFAOYSA-N 346.350 1.329 0 40 EDAB COCC(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 12326961 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EDAB O=C(NCc1cn(-c2ccsc2)nn1)c1ccc2c(c1)OCO2 575619457 UASMHLABOQJZAK-UHFFFAOYSA-N 328.353 1.988 0 40 EDAB O=C(NCc1nc(C2CCOCC2)no1)c1ccc2nsnc2c1 575614911 ACSQXXZWFCSDMH-UHFFFAOYSA-N 345.384 1.898 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NCc3cc(C4CC4)ncn3)nn2)n1 585361170 UMFQKRJSNVOPJL-UHFFFAOYSA-N 349.398 1.877 0 40 EDAB O=c1[nH]c(CN2CCN(Cc3cscn3)CC2)nc2ccccc12 96404050 JSMHGHBNSXFULN-UHFFFAOYSA-N 341.440 1.697 0 40 EDAB O=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)Cl 20160769 BSBHEYVHSJMBTH-UHFFFAOYSA-N 342.667 1.537 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1COc2ccc(Cl)cc2C1 40467909 MNNKBZSMZJZOFF-JQWIXIFHSA-N 329.805 1.194 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc2c(c1)OCC(=O)N2 31593626 WRHFPBHWDVCJGR-GFCCVEGCSA-N 326.356 1.558 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCc1ccc(S(C)(=O)=O)cc1 40525170 HSWNUVBFQQQXBR-UHFFFAOYSA-N 335.429 1.299 0 40 EDAB Cc1nc(CCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cs1 40510425 NKCATPSWFZDOKT-VIFPVBQESA-N 335.351 1.521 0 40 EDAB Cc1nnc(NC(=O)NC[C@@H](CN(C)C)[C@@H](O)c2ccccc2)s1 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349.475 1.525 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)CCN(c1ncccn1)CC2 3956103 QSBBZXNSQLDODZ-UHFFFAOYSA-N 338.415 1.789 0 40 EDAB O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccc2c(c1)OCO2 4196702 OGAMZYSUDWPJEC-RWMBFGLXSA-N 331.372 1.143 0 40 EDAB COC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4649783 ATCJCEAMUVLFLX-KFNAQCHYSA-N 336.775 1.997 0 40 EDAB CSc1nnc([C@H]2CCCN(C(=O)Cc3cccnc3)C2)n1C 4932472 QRTRUXCXMRHVPM-ZDUSSCGKSA-N 331.445 1.881 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 6224028 CLOBCEQTIQHMIN-ZJUUUORDSA-N 348.852 1.930 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)NCc1ccc(C)o1 6846644 GMNQDDKJGQWYFD-AWEZNQCLSA-N 338.404 1.688 0 40 EDAB O=C(Nc1cccnc1)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 6896395 DWTIINHUBYAPFJ-UHFFFAOYSA-N 345.318 1.925 0 40 EDAB C[C@H](NC(=O)Cn1cccc(C(=O)N(C)[C@H](C)C2CC2)c1=O)C1CC1 95351243 BTWISZZWWGDWPR-QWHCGFSZSA-N 345.443 1.634 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)Cn1c(=O)cnc2ccccc21 24989488 XVIHYVFIBCKYTP-CYBMUJFWSA-N 337.383 1.324 0 40 EDAB CCN(Cc1ccc(Cl)s1)Cc1cc(=O)n(C)c(=O)n1C 56695888 OSFKCFNXNOQKCL-UHFFFAOYSA-N 327.837 1.821 0 40 EDAB O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)Nc2cn[nH]c2)CC1 57029935 OEIRVDVGAWTBJA-UHFFFAOYSA-N 347.806 1.982 0 40 EDAB O=C(O)CN(C[C@@H]1CCCO1)C(=O)c1ccn(-c2ccc(F)cc2)n1 89793894 XBMDOCDELINENI-AWEZNQCLSA-N 347.346 1.717 0 40 EDAB CCC1=C(C(=O)OC)[C@@H](c2ccc(C(=O)OC)cc2)NC(=S)N1 9953132 SNLFZNLHEDWHQL-CYBMUJFWSA-N 334.397 1.829 0 40 EDAB O=S(=O)(c1cc(F)cc(F)c1)N1CCN(c2ncccn2)CC1 3231027 UFCSDQWEZFYVGD-UHFFFAOYSA-N 340.355 1.266 0 40 EDAB Cc1ccccc1OCCN(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 48253463 QTJPRIPVMXGMCL-CYBMUJFWSA-N 326.418 1.202 0 40 EDAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(-n2cncn2)nc1 58151705 SXLGOXXILXNUKA-OCCSQVGLSA-N 331.376 1.575 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)c1 44812351 YMUVVBJHMWANHD-KRWDZBQOSA-N 343.471 1.930 0 40 EDAB O=C(NCCCO)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 44946527 JWWRQGVRRYRKFP-MRXNPFEDSA-N 328.416 1.990 0 40 EDAB COc1ccc(C(=O)N[C@@H](C(=O)NCc2cc[nH]n2)C(C)C)cc1 44936555 MHRJKZZQYBGLIX-OAHLLOKOSA-N 330.388 1.489 0 40 EDAB NC(=O)NC(=O)CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 58343070 RIOYWIHHFDJRAN-NSHDSACASA-N 347.350 1.250 0 40 EDAB CCOc1cccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1 58325634 WEXSXZMZNDCJJI-UHFFFAOYSA-N 347.415 1.295 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)c1ccc(S(C)(=O)=O)cc1 58365054 YLRSLUKFKGGAPS-UHFFFAOYSA-N 342.417 1.345 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)Cc2ccc(-n3cnnn3)cc2)C12CCC2 89985685 WVFOONWTPAOZSX-CVEARBPZSA-N 341.415 1.669 0 40 EDAB CC(C)(C)OC(=O)NCCCCCc1nnc(SCC(N)=O)o1 2264421 NAJMQJKCNALLSN-UHFFFAOYSA-N 344.437 1.885 0 40 EDAB CC[C@@H](CO)N1CCN([C@H](C)c2nnnn2-c2ccccc2)CC1 75961907 BAIBXGYXTRVKMX-CABCVRRESA-N 330.436 1.112 0 40 EDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3nc4ccccc4o3)C2)C1=O 76058957 QXYGNYBNVLKSJN-XIKOKIGWSA-N 342.399 1.980 0 40 EDAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)O[C@@H]1CCOC1=O 3360573 LPIMOYAYTHOZTM-MRXNPFEDSA-N 339.347 1.942 0 40 EDAB CC(C)/N=c1\ccccn1C(=O)CN1C(=O)COc2ccccc21 11374625 PVFOTJLOTNAVRU-KNTRCKAVSA-N 325.368 1.863 0 40 EDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@H](C)C2)c1 11502271 WPPBGVKSMBXXML-GFCCVEGCSA-N 326.418 1.154 0 40 EDAB Cc1nn2c(N)c(C(=O)N3CCOCC3)cnc2c1-c1ccccc1 10339422 AVHIERQJFOTFGH-UHFFFAOYSA-N 337.383 1.759 0 40 EDAB Cc1cc(C)nc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1 29530025 AVJYGMWKYCIBOL-MRXNPFEDSA-N 331.464 1.616 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)nc1 29793537 HIALAOJGMBIQLQ-CQSZACIVSA-N 337.445 1.379 0 40 EDAB CCOc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCCN3C2=O)cc1 48354960 SUAOLHZADOIGTH-XJKSGUPXSA-N 348.399 1.642 0 40 EDAB COC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(C)s2)o1 3458393 DYXYZAYTHVVQNJ-UHFFFAOYSA-N 337.353 1.909 0 40 EDAB CN(C)CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20452188 IRXMHAYNADVZES-UHFFFAOYSA-N 333.841 1.393 0 40 EDAB NC(=O)COc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 12913085 GYKFSNURJGVGDP-UHFFFAOYSA-N 342.351 1.851 0 40 EDAB CS(=O)(=O)CCCC(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 110660861 MGNZFMAEZBSULF-KKUMJFAQSA-N 328.478 1.144 0 40 EDAB CCN1C[C@H](CN(C)C(=O)c2cccc[n+]2[O-])Oc2ccccc21 65498272 KXYHEVBAXXMBOA-AWEZNQCLSA-N 327.384 1.680 0 40 EDAB CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1F 65531506 CKNOPSCAHCMLSP-GFCCVEGCSA-N 346.449 1.756 0 40 EDAB NC(=O)CC1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 65564425 GNIAQZCVPRUUKC-HNNXBMFYSA-N 348.447 1.714 0 40 EDAB O=C(c1cc(-n2cccn2)ccn1)N1CCN(c2cccc(O)c2)CC1 95428331 SHLBRMUODGALCR-UHFFFAOYSA-N 349.394 1.935 0 40 EDAB CCC1CCC(CNC(=O)Cn2cnc3c(cnn3C)c2=O)CC1 66026200 XFWWRKGWSVJRIE-UHFFFAOYSA-N 331.420 1.463 0 40 EDAB CCOC(=O)C1CCN(C(=O)CCC(=O)NCc2ccco2)CC1 4696100 RGYKMFYDFWKHHK-UHFFFAOYSA-N 336.388 1.478 0 40 EDAB COc1ccccc1CC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 66486385 JBBXHLZVIREEIA-MRXNPFEDSA-N 346.427 1.478 0 40 EDAB Cc1nc(NC(=O)[C@H](C)NS(C)(=O)=O)sc1-c1ccccc1 67841312 BUCJWPIWSDCQKG-JTQLQIEISA-N 339.442 1.995 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccnc3ccccc23)C1 67815242 SOTJYOMBFLRJTB-GFCCVEGCSA-N 333.413 1.389 0 40 EDAB CC(=O)N1CCN(CCNC(=O)/C=C(\C)CCc2ccccc2)CC1 96257262 QGAXASSGSRXYLX-WUKNDPDISA-N 343.471 1.846 0 40 EDAB COc1cc(C(=O)O[C@@H](C)C(=O)N2CCCC2)cc2c1OCCO2 7939335 GLPASUOKUTZQBV-NSHDSACASA-N 335.356 1.634 0 40 EDAB Cc1n[nH]c(-c2ccc(NC(=O)NCCN3CCOCC3)cc2)n1 71799564 FGQJEUQHUIFSSN-UHFFFAOYSA-N 330.392 1.234 0 40 EDAB Cc1cnn(CCC(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1 69396215 JIUXWPGUPMPVDI-UHFFFAOYSA-N 332.448 1.833 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCN(CCN2CCCC2=O)CC1 69386921 SHAWERCMRATZCX-CYBMUJFWSA-N 333.436 1.248 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CSc2nc(O)cc(=O)[nH]2)cc1 17068746 FXZFXQSCEGJDCD-UHFFFAOYSA-N 334.357 1.165 0 40 EDAB COc1ccc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)cc1OC 69444280 PWJSVZATHFGGIZ-UHFFFAOYSA-N 349.431 1.585 0 40 EDAB COC(=O)[C@@H]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C1 96486709 FQPBXXRDAWNZDO-PWSUYJOCSA-N 341.205 1.470 0 40 EDAB O=C(Cn1cnc(NC(=O)c2ccsc2)n1)NCc1ccccc1 69511696 QGEDUBZCPKNGAG-UHFFFAOYSA-N 341.396 1.908 0 40 EDAB CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccnc(N(C)C)c1 69558893 RMNZMFVDZMQAPA-CYBMUJFWSA-N 336.461 1.435 0 40 EDAB NC(=O)COc1cccc(CN2CCCC[C@H]2Cn2cncn2)c1 69536433 CVWZLMQZCAQWIK-HNNXBMFYSA-N 329.404 1.197 0 40 EDAB CN(C)C[C@H]1CCCCN1C(=O)/C=C/c1ccc(OCC(N)=O)cc1 69585975 HNFSDVPYGIHUSU-YCABEKBOSA-N 345.443 1.507 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)c2ccccc2F)CC1 69629967 RKJOMRXNWRPROZ-UHFFFAOYSA-N 327.359 1.748 0 40 EDAB CCOc1ccccc1NC(=O)CN(CCOC)CCC(=O)OC 69696545 UHKKPZZORRSWRU-UHFFFAOYSA-N 338.404 1.535 0 40 EDAB O=C(CN1CSCC1=O)NCc1cccc(OCC(F)F)c1 69697537 VNAKBMGJRPATQM-UHFFFAOYSA-N 330.356 1.480 0 40 EDAB O=C(NCCCOc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1 69737793 FIKKXVMUZPYTGK-AWEZNQCLSA-N 348.424 1.555 0 40 EDAB Cc1ccccc1OCCCNS(=O)(=O)c1ccc(C(N)=O)cc1 69705435 GSNIEJRPKUAHNM-UHFFFAOYSA-N 348.424 1.841 0 40 EDAB O=C(c1c[nH]c(=O)[nH]1)N1CCN(CCCOc2ccc(F)cc2)CC1 69779390 KIZROJMQMXJTLA-UHFFFAOYSA-N 348.378 1.069 0 40 EDAB COc1cc(C)nc(N2CCN(C[C@H](O)c3cccc(F)c3)CC2)n1 69742681 SHHPBHNCFVXIOC-INIZCTEOSA-N 346.406 1.788 0 40 EDAB O=C(CCc1ccccc1)Nc1cnn(CCN2CCOCC2)c1 69816389 KLTVOUFTFJGBFX-UHFFFAOYSA-N 328.416 1.787 0 40 EDAB Cc1ncncc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69950662 HQZZCUXEEJFPSB-QGZVFWFLSA-N 326.400 1.276 0 40 EDAB CSc1ccsc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 71884550 FXKLQZKZLGPSLB-JTQLQIEISA-N 348.515 1.871 0 40 EDAB C[C@@H](CN1CCCC1=O)NC(=O)c1cc(=O)[nH]c2ccc(Cl)cc12 71897915 ABMBMTXTFAZKLH-JTQLQIEISA-N 347.802 1.922 0 40 EDAB Cc1ccc(CN2CCCN(C(=O)Cn3ccccc3=O)CC2)cc1 71805641 CHPFULASDXNYJV-UHFFFAOYSA-N 339.439 1.891 0 40 EDAB Cn1c(CN(Cc2ccccc2)C[C@H]2CCCO2)cc(=O)n(C)c1=O 71822595 SMELWPLNRQFZQW-QGZVFWFLSA-N 343.427 1.265 0 40 EDAB O=C(Cn1cnc2ncccc2c1=O)N[C@H]1CCOc2ccccc21 73698007 SPFFKBJVZMWUSU-AWEZNQCLSA-N 336.351 1.432 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCC[C@@H](C)C2)c1C 9951859 VWFFHQOLEKPXMJ-SNVBAGLBSA-N 336.388 1.833 0 40 EDAB COC(=O)Cn1ccc(NC(=O)NCc2cccc(OC)c2OC)n1 71912150 QPKNXIBMCLXUKX-UHFFFAOYSA-N 348.359 1.395 0 40 EDAB COC(=O)CN1CCC(NC2CCN(c3ccc(C)cn3)CC2)CC1 97085097 FGUPEWFROWYCIQ-UHFFFAOYSA-N 346.475 1.586 0 40 EDAB Cc1cc(C)cc(OC[C@H](O)Cn2nc(-n3ccnc3)ccc2=O)c1 97000717 PXIDDLWTFGYDEM-OAHLLOKOSA-N 340.383 1.486 0 40 EDAB COC(=O)c1ccc([C@H]2c3c(cc(C)oc3=O)O[C@H]2C(=O)OC)cc1 85413650 CSVZLRFYXOSJBI-DZGCQCFKSA-N 344.319 1.801 0 40 EDAB C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCC(CCO)CC1 72270377 GNXAVDKGRFOWKP-AWEZNQCLSA-N 333.432 1.495 0 40 EDAB O=C(NC[C@H](O)c1c(F)cccc1F)C(=O)Nc1ccc(F)cc1 72294317 SHIVRKJNJUCRNM-ZDUSSCGKSA-N 338.285 1.892 0 40 EDAB CSCC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 72273414 DTRRTULDKCHTFY-LBPRGKRZSA-N 329.443 1.941 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCOC[C@@H]3c3cccn3C)c2n1 97162817 MHRKPMDFTWAVNA-OAHLLOKOSA-N 325.372 1.590 0 40 EDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc2c1OCO2 72300592 MSBVOJJCKJGORD-YPMHNXCESA-N 326.418 1.175 0 40 EDAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCc2nn(C)c(=O)cc2C1 72302390 QTEQAQOZEZZLPP-SNVBAGLBSA-N 347.806 1.214 0 40 EDAB c1cc(N2CCCC2)nc(N2CCC[C@H](CN3CCOCC3)C2)n1 95961980 KFNRLSGGURAJKK-MRXNPFEDSA-N 331.464 1.625 0 40 EDAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(NC=O)cc2)C1 95961730 CMLSXEDIYNVLJP-CQSZACIVSA-N 331.416 1.879 0 40 EDAB Cc1cn2c(CN3CCC[C@@H](NS(C)(=O)=O)C3)c(C)nc2s1 95982607 LJAYNWFFDCMAIV-GFCCVEGCSA-N 342.490 1.526 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c[nH]c2ncccc12 88787113 SZFCDAKAHKCSFP-NSHDSACASA-N 346.416 1.530 0 40 EDAB Cc1c(S(=O)(=O)N(C)[C@H](C)CO)cnn1-c1ccc(F)cc1 89544919 GMQFPTDASIQIGN-SNVBAGLBSA-N 327.381 1.321 0 40 EDAB Cc1csc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)n1 29775491 DNOYFBAQGZWDSI-UHFFFAOYSA-N 325.415 1.670 0 40 EDAB CCOC(=O)N1CCN(C(=O)Cn2ccc3cc(OC)ccc32)CC1 32092432 IWGIMIWWGBBFHK-UHFFFAOYSA-N 345.399 1.951 0 40 EDAB O=C(CCCn1nnc2ccccc2c1=O)NC1Cc2ccccc2C1 32073568 YREDKHBDWDAYOE-UHFFFAOYSA-N 348.406 1.855 0 40 EDAB Cc1cc(C(=O)NC[C@@H]2CCCN([C@@H](C)c3nnnn3C)C2)ns1 1023341047 SZHTXEZUSNSEFQ-RYUDHWBXSA-N 349.464 1.178 0 40 EDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(N(C)C)cc1 71980093 KRCPYCVXYCKBDE-HNNXBMFYSA-N 347.415 1.100 0 40 EDAB CCNS(=O)(=O)N1CCN(c2cccc(Br)c2)CC1 284679873 OAOPUNXGNRHLLY-UHFFFAOYSA-N 348.266 1.425 0 40 EDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)CO 218203892 GISYQPJWARCQMP-FRRDWIJNSA-N 348.262 1.287 0 40 EDAB O=C1NCCN1[C@H]1CCCN(C(=O)C2(c3cccnc3)CCCC2)C1 567008937 UFRWLNHRJVHYRX-INIZCTEOSA-N 342.443 1.910 0 40 EDAB Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(N(C)C)nc1 78556711 ARQFGZIZKRJVSZ-UHFFFAOYSA-N 329.813 1.644 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223047224 XKYKUPUBOGTESA-SECBINFHSA-N 340.430 1.867 0 40 EDAB NC(=O)C1(CNCc2sccc2Br)CCOCC1 195564496 XJGVUTFRXQDTQI-UHFFFAOYSA-N 333.251 1.882 0 40 EDAB CCN1CCN(c2ncc3c(n2)CN(Cc2cccnc2)C3=O)CC1 41123007 BMEFXUCQOVOVIO-UHFFFAOYSA-N 338.415 1.170 0 40 EDAB COCc1nnc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)s1 41107452 MRFMTLWNPLEQRE-UHFFFAOYSA-N 331.357 1.102 0 40 EDAB CCN1CCCN(S(=O)(=O)c2c[nH]c3cccc(F)c23)CC1=O 195467980 XLYRDNJYUSPNBH-UHFFFAOYSA-N 339.392 1.550 0 40 EDAB CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(NCCn3ccnc3)cc2)C1 585129422 IYZNNWQXSDFNRC-IRXDYDNUSA-N 344.415 1.217 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cn[nH]c2C)C1 96426812 ZNJZZOAIPQDTEO-LLVKDONJSA-N 346.353 1.981 0 40 EDAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2nc3cnccn3n2)cc1 585129297 FBVGSCAFOVFLQS-LLVKDONJSA-N 331.401 2.439 0 40 EDAB c1csc(CN2CCc3ncc(CN4CCOCC4)n3CC2)n1 96196904 NNQJAVCVHGKYDK-UHFFFAOYSA-N 333.461 1.230 0 40 EDAB CNC(=O)N1CCc2nc(C(=O)Nc3ccncc3)sc2CC1 96264735 WASROJRSBXFRSQ-UHFFFAOYSA-N 331.401 1.530 0 40 EDAB CC(C)Oc1cncc(S(=O)(=O)NCC(C)(C)CCCO)c1 583651963 WHJFIHDOMFFEBF-UHFFFAOYSA-N 330.450 1.946 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Cc2cncnc2)cc1 583621047 PYCCBGNQOJXPSN-PKOBYXMFSA-N 341.411 1.926 0 40 EDAB O=C(c1cc(O)cc(=O)o1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 583615451 CRQOHWKABNEFHU-GXFFZTMASA-N 337.278 1.572 0 40 EDAB CCc1ccc([C@@H](COC)NS(=O)(=O)[C@H]2CC(=O)N(CC)C2)o1 583651665 QPSPOVYXSGWRTD-QWHCGFSZSA-N 344.433 1.070 0 40 EDAB O=C([C@@H](c1ccccc1)n1cnnn1)N1CCO[C@H](c2ccccc2)C1 95475758 DWXVPFZDYBUWLU-ZWKOTPCHSA-N 349.394 1.863 0 40 EDAB CN(C)C(=O)COC[C@@H]1C[C@H]2OCCN(Cc3ccccn3)[C@@H]2C1 96055419 JSUVDCAFGYOLAK-USXIJHARSA-N 333.432 1.166 0 40 EDAB Cc1ccc(CN2CC[C@@H]3O[C@@H](C(=O)NCCN4CCCC4)C[C@@H]32)o1 96183693 UATUKDMVWPAUQS-OKZBNKHCSA-N 347.459 1.532 0 40 EDAB CCO[C@H]1C[C@H](N(C)c2nc3c(cnn3C)c(=O)[nH]2)C12CCCC2 96453731 JYLLKRJDBYWWIA-STQMWFEESA-N 331.420 1.831 0 40 EDAB Cc1noc(C[C@@H]2CO[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@H]23)n1 96215575 SAWZAZNQIJEJFK-JHJVBQTASA-N 332.360 1.313 0 40 EDAB CCN1CCNC(=O)C12CCN(C(=O)c1cccc(N(C)C)c1)CC2 96230154 AKRJSZTUQLAOOR-UHFFFAOYSA-N 344.459 1.179 0 40 EDAB Cc1nn(C)cc1CCNC(=O)N1CCO[C@@H](Cc2ccccc2)C1 96494039 PDDOVQLJGRNTLO-SFHVURJKSA-N 342.443 1.924 0 40 EDAB O=c1cccnn1C[C@H]1CN(Cc2ccoc2)Cc2nccn2C1 96067152 VREUNMWEVGSINI-HNNXBMFYSA-N 325.372 1.365 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)NCCc1ccccn1 585121524 RQEHVZJUGRDBHV-RDTXWAMCSA-N 349.431 1.501 0 40 EDAB c1cnc(N2CCOC[C@@]3(CN(Cc4ccsc4)CCO3)C2)nc1 96229477 OELSYGBSLIZIKH-QGZVFWFLSA-N 346.456 1.646 0 40 EDAB COC1(CC(=O)N2CC[C@]3(COCc4cnc(C)nc43)C2)CCC1 247958789 NJBCPNZYRPDRCK-QGZVFWFLSA-N 331.416 1.745 0 40 EDAB O=C(C1CCSCC1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 247849307 IHNOMEGTHIGFSC-AWEZNQCLSA-N 349.456 1.759 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@H](Cc2ccc(N3CCCC3)nn2)C1 257215276 CPLCRNAZYDNFKI-CQSZACIVSA-N 340.431 1.895 0 40 EDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)CCc1nc(C(C)C)no1 257299730 RRHLOMQUNVVMTL-GFCCVEGCSA-N 333.392 1.757 0 40 EDAB CC(=O)NCc1cnc([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)[nH]1 257228484 FUBMRBUGAPNWGL-ZDUSSCGKSA-N 348.428 1.224 0 40 EDAB CCCn1ccnc1CN1CCNC[C@H]1c1cccc(C(=O)NC)c1 257286190 PKRKPXYQDNCNAZ-KRWDZBQOSA-N 341.459 1.799 0 40 EDAB CN(C)c1cnc(C[C@H]2CCCN(C(=O)c3cnccn3)CC2)cn1 257258665 KVAMETLPUMQKBE-AWEZNQCLSA-N 340.431 1.818 0 40 EDAB O=C(CCn1nnc2ccccc21)N1CCO[C@H](c2ccncc2)C1 257218916 DEVKJGAIZLTYNW-KRWDZBQOSA-N 337.383 1.817 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)c1C 257296165 RBMOEJONBPYIGF-CYBMUJFWSA-N 337.449 1.578 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)CCc2ccccc2F)CCO1 257271665 MZGPAVNXXFCHRB-AWEZNQCLSA-N 330.363 1.731 0 40 EDAB Cc1cc(CC[C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)ncn1 257212123 CCARWNXNZXLHEF-INIZCTEOSA-N 347.440 1.807 0 40 EDAB COc1cccc(O[C@@H]2C[C@@H](NC(=O)CC3CCCC3)[C@H](O)[C@H]2O)c1 257212382 CDDXUYXGGGGCNY-FPAYPSAMSA-N 349.427 1.633 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1 257288852 PVZDACGUETYFKC-HNNXBMFYSA-N 345.403 1.065 0 40 EDAB Cn1nccc1-c1cnc(C[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 257273110 NFHZAWVITCCKFH-LBPRGKRZSA-N 335.433 1.091 0 40 EDAB COC(=O)c1cccn2cc(CN3CC[C@H](c4nc(C)no4)C3)nc12 1615573491 VADPCLAKWVRPRW-LBPRGKRZSA-N 341.371 1.802 0 40 EDAB Cc1ccc(O)cc1C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 1615585638 FPZDHJVILYLYLN-DOTOQJQBSA-N 325.368 1.797 0 40 EDAB CCn1ncc(CN[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]2CCOC)n1 1615571154 GETWPSUYVDCHMS-KGLIPLIRSA-N 339.440 1.412 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)Cc2ccc(C)cc2)C[C@H]1c1cncn1C 1615615341 OSTVQSHFQQJUAN-HZPDHXFCSA-N 341.411 1.686 0 40 EDAB O=C1C[C@]2(CCCN(C(=O)c3cc(N4CCCCC4)ncn3)C2)CN1 1615622374 LHAQKUKUFUOPBN-GOSISDBHSA-N 343.431 1.209 0 40 EDAB Cc1ccc2ncn(CC(=O)N3CC[C@H](OC(=O)N(C)C)C3)c2c1 1615627200 DBRGYXAMQQQJTB-ZDUSSCGKSA-N 330.388 1.644 0 40 EDAB NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)[C@H]1C[C@@H]1c1ccccc1 1616053294 WLEVQKHZYBXFMA-SUJAAXHWSA-N 334.441 1.458 0 40 EDAB COC1(CO)CCN(c2nnnn2Cc2ccc(F)c(C)c2)CC1 1616034086 WFRLIJPCZVUCET-UHFFFAOYSA-N 335.383 1.147 0 40 EDAB CCc1cccc(CC)c1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 605584280 MAJOFAFBFXDORG-CQSZACIVSA-N 345.486 1.619 0 40 EDAB CO[C@]1(CCC(N)=O)CCCN(C(=O)/C=C/c2csc(C)n2)C1 585290700 UHNHGIXSUCYOKX-APHBUQMISA-N 337.445 1.738 0 40 EDAB CS(=O)(=O)Nc1cc(C(=O)NC[C@@H]2CCCCO2)ccc1F 71853421 SQMIBMQXRJXHSV-NSHDSACASA-N 330.381 1.496 0 40 EDAB CCn1cnnc1CNS(=O)(=O)c1cccc(Br)c1 48667421 HBNXDOBYGMHQHM-UHFFFAOYSA-N 345.222 1.539 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCCN([C@@H]2CCSC2)CC1 1565521865 DNAFLMUVNMLOIT-RHSMWYFYSA-N 348.468 1.866 0 40 EDAB CO[C@H]1CCN(C2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)C1 1565522814 RPNHSPZZKFAFCC-SFHVURJKSA-N 345.443 1.970 0 40 EDAB CC[C@H](NC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccncc1 76088197 KPDJJVNZSAOGJQ-RYUDHWBXSA-N 344.337 1.995 0 40 EDAB Cc1ncc(S(=O)(=O)Nc2nn(CC(F)(F)F)cc2Cl)[nH]1 585119185 VOCCVOGLCNLWMA-UHFFFAOYSA-N 343.718 1.931 0 40 EDAB CNS(=O)(=O)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)nc1 91462775 ANMDWINTRZKHAE-UHFFFAOYSA-N 343.412 1.992 0 40 EDAB O=C(O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(C(=O)O)c1F 1610762686 DQLOVRQQIDBKEH-ZETCQYMHSA-N 349.311 1.291 0 40 EDAB NC(=O)CC[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 5943937 YZKYZQWVQTZOLN-VIFPVBQESA-N 334.159 1.834 0 40 EDAB COc1ccc2cc(C(=O)N3CCc4c(nc(C)[nH]c4=O)C3)[nH]c2c1 12143198 OPMYYCIKDVDRNQ-UHFFFAOYSA-N 338.367 1.767 0 40 EDAB O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1nncs1 13568704 DJQPVEPBMFSJBG-UHFFFAOYSA-N 341.399 1.273 0 40 EDAB CC1=CC(=O)N2C(=NC(NCc3ccco3)=N[C@@H]2c2cccnc2)N1 14607554 YRDYBAYRZAXSPK-HNNXBMFYSA-N 336.355 1.524 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1 15420923 FVOKMCAWVMJCNU-SFHVURJKSA-N 338.407 1.887 0 40 EDAB c1ccc(CN2CCN(Cc3nnnn3C[C@@H]3CCCO3)CC2)cc1 19372207 PGFRUJWDVKLTKI-KRWDZBQOSA-N 342.447 1.170 0 40 EDAB O=S(=O)(NCC1CCN([C@@H]2CCSC2)CC1)c1cccnc1 225572333 BXLXVPBNOLYPAJ-CQSZACIVSA-N 341.502 1.577 0 40 EDAB CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1cccc(Cl)c1 643551201 PZDOJBGXQXZFBH-WBXFPJHGSA-N 325.792 1.180 0 40 EDAB CC(C)[C@H](Cn1nccn1)NS(=O)(=O)c1ccc(Cl)s1 238875286 NWSTYRZYKWGQMP-VIFPVBQESA-N 334.854 1.996 0 40 EDAB Cn1ccnc1CN1CCN(C(=O)[C@H]2CCc3cccc(O)c32)CC1 550381994 RNFCWEYCOCAATF-HNNXBMFYSA-N 340.427 1.500 0 40 EDAB COc1ccc(N2CCN(C(=O)c3ncoc3C3CC3)CC2)nc1 582530909 VISPCIZUZNJLQB-UHFFFAOYSA-N 328.372 1.918 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCCc2ccccc2C1 592818651 GRENIVRHUWNRFA-PBHICJAKSA-N 329.444 1.547 0 40 EDAB O=C(COC(=O)c1ccccc1-n1cnnn1)NCc1ccccc1 4882676 HFHXBQTZZTXEKG-UHFFFAOYSA-N 337.339 1.136 0 40 EDAB Cc1cnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)nc1 1888899182 WFQFKAINXMKSFA-UHFFFAOYSA-N 325.420 1.502 0 40 EDAB CNCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3nccs3)n2)C1 2037835026 RUMQPCMKMIWIHC-LLVKDONJSA-N 332.433 1.520 0 40 EDAB CN1CCN(Cc2cnc[nH]2)C[C@H](Cc2ccnc3cccnc23)C1 2037838693 WLZHMJZDELCEMA-OAHLLOKOSA-N 336.443 1.959 0 40 EDAB CN1C[C@@]2(COCC1=O)CN(Cc1ccc(F)cc1F)CCO2 2037984081 PLCWQNUNJFJLGC-INIZCTEOSA-N 326.343 1.024 0 40 EDAB O=S(=O)(c1ccc(Br)cc1)N1Cc2cncnc2C1 96366488 FWAPFLJNUXBKOV-UHFFFAOYSA-N 340.202 1.944 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)Cc3ccccc3)CC2)C1 1565547214 GSYVIVJOUADZPE-UHFFFAOYSA-N 336.457 1.550 0 40 EDAB CCS(=O)(=O)NCCOc1ccc(-c2ccc(F)cc2)nn1 9852838 DQEXMZGPTHMSQD-UHFFFAOYSA-N 325.365 1.601 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc3ccccc3s2)C1 13789866 AMNLQQLQHBSGRG-SNVBAGLBSA-N 339.442 1.906 0 40 EDAB CCn1c(C)cc(O)c([C@H](c2ccccn2)N2CCN(C)CC2)c1=O 22697402 ZKEVROHJCYRWMJ-SFHVURJKSA-N 342.443 1.614 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1F)Cc1ccco1 206621212 YXHXAEVVGOHTGO-INIZCTEOSA-N 338.310 1.606 0 40 EDAB COc1ccc(CCC(=O)NCc2nc(OC)nc(N(C)C)n2)cc1 575608653 WZRIZOCQBMFMCE-UHFFFAOYSA-N 345.403 1.204 0 40 EDAB Cc1cc(C)n2nc(C(=O)Nc3cccnc3-n3cccn3)nc2n1 23170878 USEJNSCRLPHHHZ-UHFFFAOYSA-N 334.343 1.574 0 40 EDAB NC(=O)c1ccc(N2C(=O)C[C@@H](Sc3cccc(N)c3)C2=O)cc1 103719580 VSORVAMTYLMFOV-CQSZACIVSA-N 341.392 1.792 0 40 EDAB Cc1cn(CC(=O)N2CCCN(S(C)(=O)=O)CC2)c2ccccc12 50559148 WSBRYNPRBRLVNW-UHFFFAOYSA-N 349.456 1.444 0 40 EDAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1nccs1 31812856 PVZAJBGEMACMGG-LLVKDONJSA-N 344.396 1.251 0 40 EDAB O=S(=O)(N1CC[C@H](N2CC=CC2)C1)N1CCC[C@H]1c1ccco1 101287251 HNFWODXNFRBGCU-GJZGRUSLSA-N 337.445 1.607 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NO[C@H]1CCCCO1 101395710 LWDPZACWRZVANK-YCBFNFSOSA-N 328.434 1.819 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CN1CSCC1=O)c1ccccc1 32493645 ZFDCBSXVCGYWBO-OAHLLOKOSA-N 330.413 1.159 0 40 EDAB CCN1CCc2nc(NC(=O)[C@H](C)NC(=O)c3ccco3)sc2C1 21294867 BNUJKACGBALZCS-JTQLQIEISA-N 348.428 1.871 0 40 EDAB COC(=O)[C@@H](CN1CCCCC1)[C@@](O)(c1nccn1C)C(F)(F)F 32765190 SCSDWNVBPVRPEB-BXUZGUMPSA-N 349.353 1.445 0 40 EDAB O=C(CNC(=O)c1ccc(F)cc1)NCCOc1ccccc1F 33019708 PRDYVEPSNIQHMB-UHFFFAOYSA-N 334.322 1.890 0 40 EDAB O=C(CSc1nnnn1C1CC1)N[C@@H]1COc2ccccc2C1 53045465 PIFOVZRZXMLTMJ-NSHDSACASA-N 331.401 1.220 0 40 EDAB CC(C)c1cc(NC(=O)CN2CCC(N3CCNC3=O)CC2)on1 53283829 LYUNVARFPOICIB-UHFFFAOYSA-N 335.408 1.226 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCCn3cncn3)CC2=O)cc1 41862313 VTFASTVTYIPUSZ-AWEZNQCLSA-N 327.388 1.146 0 40 EDAB CN(C)S(=O)(=O)c1ccc(COc2cccc(-n3cnnn3)c2)o1 47350325 QONLGFIZLZRAAC-UHFFFAOYSA-N 349.372 1.085 0 40 EDAB COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C)c(OC)c1 12449732 NBYYXVZVCHBTOM-UHFFFAOYSA-N 332.356 1.821 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)CCOCC(F)(F)F)CCO2)n1 78888762 OEAIVSHINGIQJD-VIFPVBQESA-N 336.314 1.236 0 40 EDAB CNC(=O)c1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 78898492 CWWHKVCTFUHVLU-GUYCJALGSA-N 329.444 1.783 0 40 EDAB Cc1cc(N2CCOC[C@H]2C[C@H](O)c2cccs2)n2ncnc2n1 79060255 MWMCAUPMKNVEFR-OLZOCXBDSA-N 345.428 1.823 0 40 EDAB CCN(CC)CCCNC(=O)CCS(=O)(=O)c1ccccc1 2730604 CCUOHAXSMLFVIE-UHFFFAOYSA-N 326.462 1.699 0 40 EDAB C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)S(=O)(=O)c1ccccn1 47620802 ZNAYHTLDTLCUBQ-GXTWGEPZSA-N 346.408 1.884 0 40 EDAB CC(C)CNC(=O)NC(=O)Cn1nc(-c2ccccc2)ccc1=O 54658648 FSIDUZVAQMQHEE-UHFFFAOYSA-N 328.372 1.392 0 40 EDAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 4959209 NLFZBDGOHJEZDC-UHFFFAOYSA-N 344.392 1.879 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)c2ccccc2)o1 25134487 YGPRHZHWSKXALH-UHFFFAOYSA-N 336.413 1.895 0 40 EDAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cn3ccccc3n2)c1 25239163 VWCCMKQSFNMSBV-UHFFFAOYSA-N 344.396 1.636 0 40 EDAB COc1ccnc(N2CCN(S(=O)(=O)c3cccs3)CC2)n1 8775929 XEQLRXWQXWROLQ-UHFFFAOYSA-N 340.430 1.058 0 40 EDAB CC(=O)N1CCN([C@H]2CN(CCOc3ccccc3C)C[C@H]2C)CC1 107141959 BFIBHUIWGNYTFT-MJGOQNOKSA-N 345.487 1.858 0 40 EDAB COc1ccc(C2(CNC(=O)[C@@H]3CCC(=O)NC3)CCOCC2)cc1 56452602 KLEGQSZWIBKTPD-CQSZACIVSA-N 346.427 1.386 0 40 EDAB O=C(CCNc1ncccn1)N1CCC(c2nnc3n2CCC3)CC1 57146076 ZVOIRFQKXOZJKG-UHFFFAOYSA-N 341.419 1.223 0 40 EDAB NS(=O)(=O)c1cnc(N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)s1 108094925 IIPPWIHUAVMIJW-SRVKXCTJSA-N 342.490 1.101 0 40 EDAB CN1CC[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1=O 44294282 DJMKMZHUSKSQCL-KRZKXXONSA-N 341.455 1.712 0 40 EDAB O=C(NCC[S@](=O)c1ccccc1F)N1CCOC[C@@H]1C1CC1 97022346 UJOFJZFPRINOHN-QKFKETGDSA-N 340.420 1.754 0 40 EDAB CCCn1c(S[C@@H](C)C(=O)NC(=O)Nc2ccccc2)n[nH]c1=O 12623912 AHWLJMPTHJAUNH-JTQLQIEISA-N 349.416 1.810 0 40 EDAB CCN1CCN(C(=O)Cn2nc(C)c(Br)c2C)CC1 27981714 LWUFHLHBOLUKSW-UHFFFAOYSA-N 329.242 1.427 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3cccc4cn[nH]c34)CC2)on1 48251690 ILYOTTLQVVJJNL-UHFFFAOYSA-N 325.372 1.817 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cn1 72269320 OXMQTFBBNDWENR-HZPDHXFCSA-N 333.432 1.540 0 40 EDAB COc1ccc2nc(C)c(C(=O)NC[C@H]3CCS(=O)(=O)C3)cc2c1 44722611 GRPBYCVLWIDKHP-GFCCVEGCSA-N 348.424 1.716 0 40 EDAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)NC[C@H]1CCCO1 48234378 PXLRHHIFJMHGEZ-KGLIPLIRSA-N 339.461 1.600 0 40 EDAB COc1ccnc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)n1 58246007 HXCLNDYZPMHYDO-UHFFFAOYSA-N 331.351 1.978 0 40 EDAB Cc1cc(C)n(-c2ccc(CC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)n1 44939314 PREJAZOXLMZPLB-HNNXBMFYSA-N 347.440 1.335 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)cs1 72232297 UDBGYUVYUNAXBP-SNVBAGLBSA-N 335.389 1.813 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cc2cccc(F)c2)CC1 58391668 DBDNDPYNZZQHDX-INIZCTEOSA-N 333.407 1.309 0 40 EDAB Cc1noc(-c2cccnc2N2CCCN(c3ncccn3)CC2)n1 95402812 XCDVCQHODKTUND-UHFFFAOYSA-N 337.387 1.947 0 40 EDAB C[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C1CC1 29014590 JUNBTBZUFUBOMS-NSHDSACASA-N 335.429 1.496 0 40 EDAB COCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 36714358 VAPDQMDFRXYAHI-HNNXBMFYSA-N 328.368 1.609 0 40 EDAB O=C(c1ccc(N2CCCC2)nn1)N1CCC[C@H](c2ccn[nH]2)C1 72232610 OIQJRNWSZPIIAD-ZDUSSCGKSA-N 326.404 1.820 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)c1 72279984 VEWCSKIQXXXYBC-HUUCEWRRSA-N 333.436 1.363 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)C[C@@H]2CCc3ccccc3C2)[nH]1 72280856 WAFVEXYTCKDMAA-SNVBAGLBSA-N 334.401 1.342 0 40 EDAB COc1cccc(-c2cc(NC(=O)c3nccnc3C(=O)O)[nH]n2)c1 71284908 WBJKETZRFXIQPY-UHFFFAOYSA-N 339.311 1.826 0 40 EDAB CC(=O)NCCCNC(=O)c1cccn(Cc2ccccc2)c1=O 63722924 VQUZHUXYQCKCNE-UHFFFAOYSA-N 327.384 1.153 0 40 EDAB Cn1ccnc(Nc2ccc3nc(N4CCOCC4)sc3c2)c1=O 72301782 VJGKQJXTLDKLEZ-UHFFFAOYSA-N 343.412 1.970 0 40 EDAB Cc1cccc([C@H]2CCCCCN2C(=O)c2cn(CC(N)=O)nn2)c1 72302906 FMJHTMWJLIRTHB-MRXNPFEDSA-N 341.415 1.829 0 40 EDAB Cn1nc2c(cc1=O)CN(Cc1nccn1Cc1ccccc1)CC2 72302401 JYLMGTKZNJJMRD-UHFFFAOYSA-N 335.411 1.583 0 40 EDAB CCOC(=O)c1cccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 4392615 KJRQHZZEUMKZNZ-NSHDSACASA-N 325.386 1.627 0 40 EDAB CC(C)OCCCN1CC2=C(C1=O)[C@@H](c1ccccc1)NC(=O)N2 9317209 VIEZBVGFEKNWFH-MRXNPFEDSA-N 329.400 1.952 0 40 EDAB O=C(NC1CCN(c2ncnc3[nH]cnc23)CC1)c1cccc(F)c1 65490563 DMTYRFSMJSWBEF-UHFFFAOYSA-N 340.362 1.891 0 40 EDAB C[S@](=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 65521671 HRISCNMQUOUAEK-NPMXOYFQSA-N 328.393 1.481 0 40 EDAB COCCN(CCNC(=O)/C=C/c1cccc(OC)c1OC)C1CC1 65613143 REYRAXBKFIOWHQ-JXMROGBWSA-N 348.443 1.944 0 40 EDAB COc1cc(OC)cc(C(=O)N(C)[C@]2(C)CCS(=O)(=O)C2)c1 4505104 PNAMYQLWFXYBBK-OAHLLOKOSA-N 327.402 1.353 0 40 EDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 6672038 HELXYPGMKVRZNH-QWRGUYRKSA-N 340.426 1.510 0 40 EDAB CCOc1ccc(-n2ccn(CC(=O)N[C@@H](C)CC)c(=O)c2=O)cc1 67255949 NQHRWQIUYOUKMI-ZDUSSCGKSA-N 345.399 1.313 0 40 EDAB COc1cccc([C@H]2CCCN2CC(=O)N2CCC(C(N)=O)CC2)c1 71793356 JBXPLZPYFQOVEW-QGZVFWFLSA-N 345.443 1.556 0 40 EDAB C[C@H](NC(=O)NCC(=O)N(C)CCc1ccccn1)c1ccncc1 67468847 URUFAGGBARKSIA-AWEZNQCLSA-N 341.415 1.538 0 40 EDAB CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cnn(C)c1 96454192 PDFHTCPAMXIKNT-INIZCTEOSA-N 343.362 1.726 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1F)N(C)CC(=O)NCc1ccco1 16340397 QFROTLUYJMCWHI-LBPRGKRZSA-N 333.363 1.994 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 16379116 GQVQTJRDWZWEQA-HNNXBMFYSA-N 348.834 1.811 0 40 EDAB Cc1noc(C)c1CC(=O)NS(=O)(=O)N1CCc2ccccc21 71859319 MNSTURUPNKOLET-UHFFFAOYSA-N 335.385 1.258 0 40 EDAB COC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 8232452 NTEYUGZBWYJYFL-UHFFFAOYSA-N 330.340 1.453 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)c1cncc(Br)c1 8315334 MHBGTFIPDATRNP-UHFFFAOYSA-N 328.210 1.831 0 40 EDAB C[C@@H]1CN(CC(=O)Nc2nccs2)CCN1Cc1nccn1C 69464404 FVZLBFCYURQVMK-GFCCVEGCSA-N 334.449 1.021 0 40 EDAB O=C(CC[C@H]1CCCCO1)NC1CCN(CC(=O)NC2CC2)CC1 71896099 FCEJORHVWFQTSS-MRXNPFEDSA-N 337.464 1.195 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)Nc1ncn(Cc2cccnc2)n1 69564760 IPVJOGDTFJQQRX-UHFFFAOYSA-N 347.375 1.970 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)n1 83829929 HKNLPBJWXUUYRF-CQSZACIVSA-N 341.371 1.651 0 40 EDAB C[C@@H](NC(=O)CN1CCC[C@H](Cn2cncn2)C1)c1cccs1 69697286 JADSGTPDRWKCOJ-KGLIPLIRSA-N 333.461 1.929 0 40 EDAB CN(C)S(=O)(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 69740049 BKIXXFWHDWTDKO-NSHDSACASA-N 333.404 1.325 0 40 EDAB CCCNC(=O)NC(=O)CN(C)C1CCN(Cc2ccccc2)CC1 69776353 UQLZQZHKCZBTRQ-UHFFFAOYSA-N 346.475 1.819 0 40 EDAB CN(Cc1ccsc1)C(=O)CN[C@H]1CCCN(c2cccnn2)C1 69810602 KYHHGSKUEILXGX-HNNXBMFYSA-N 345.472 1.755 0 40 EDAB CNC(=O)NC(=O)CCCN(C)Cc1cccc(OC(F)F)c1 69809237 RVNAHCHJZKBDEC-UHFFFAOYSA-N 329.347 1.956 0 40 EDAB O=S(=O)(c1ccccc1NCC1(O)CCOCC1)C(F)(F)F 69841706 BYOPHZCOHITYRZ-UHFFFAOYSA-N 339.335 1.934 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cc1 69899103 BSVPHKGGUVNCBK-OVPGCVMQSA-N 346.427 1.712 0 40 EDAB NC(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)c1 69896317 SFJOLLQONWWPMJ-GJZGRUSLSA-N 334.441 1.912 0 40 EDAB O=S1(=O)CC[C@@H](N(Cc2cccc(Cl)n2)C[C@@H]2CCCO2)C1 72629287 JEQFXXVNRSSWGP-KGLIPLIRSA-N 344.864 1.903 0 40 EDAB Cc1cc(OCC(=O)N2CCCN(C(N)=O)CC2)ccc1Cl 69968677 SUOHMLFDKXZLKP-UHFFFAOYSA-N 325.796 1.640 0 40 EDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCC(C)CC2)cc1 8704717 STWVTMANAWULCB-UHFFFAOYSA-N 332.400 1.527 0 40 EDAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccco1 70753055 YHWAWZLETPOYGG-MRXNPFEDSA-N 348.424 1.325 0 40 EDAB CN(C)c1nc(N)nc(CN2CCO[C@]3(CCc4ccccc43)C2)n1 95435456 PVDNEEBNIAJPPQ-GOSISDBHSA-N 340.431 1.194 0 40 EDAB O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1ccco1 95480846 VUECCZWZYPUPDI-HNNXBMFYSA-N 341.367 1.653 0 40 EDAB COC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 408626834 XRMMTZGCTUYPOQ-WDEREUQCSA-N 348.852 1.646 0 40 EDAB O=C(CCn1cccn1)N[C@H]1CCCN(Cc2ccccc2)C1=O 95446933 IKGAYYUTQXMXTJ-INIZCTEOSA-N 326.400 1.581 0 40 EDAB Nc1c(C(=O)Nc2ccc(F)cc2-n2cccc2)nc(O)[nH]c1=O 95467824 POTYABFKAZFHAU-UHFFFAOYSA-N 329.291 1.240 0 40 EDAB Cc1nc(CN2CCN(Cc3nnc(-c4ccccc4)o3)CC2)no1 95959656 ZDDCBTOFFBGGIA-UHFFFAOYSA-N 340.387 1.746 0 40 EDAB CNC(=O)C1CCN(C(=O)NCc2ccc(N3CCCC3)nc2)CC1 89386013 SEESOIUVLLYBNU-UHFFFAOYSA-N 345.447 1.349 0 40 EDAB CN1CC[C@H](NC(=O)Cn2cnnn2)[C@@H]1c1ccc(Cl)c(F)c1 89375082 AAHHGFMTXGXIHN-JSGCOSHPSA-N 338.774 1.027 0 40 EDAB Cc1ccc(CN(C)S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)o1 89656001 SWPDFVPIEZPAJS-CQSZACIVSA-N 338.433 1.626 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)NCC3(C(=O)O)CCC3)cnc12 89689037 QSJHWMRHXQQBHJ-UHFFFAOYSA-N 329.356 1.076 0 40 EDAB CN(CC(C)(C)O)S(=O)(=O)c1cnn(-c2ccccc2F)c1 89761693 UAGLSWXDNLFQIN-UHFFFAOYSA-N 327.381 1.403 0 40 EDAB O=C(CCn1cccn1)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 89825832 HEFHKBYOIMEWQW-INIZCTEOSA-N 338.371 1.493 0 40 EDAB Cc1cn2c(=O)c(S(=O)(=O)N3CCCCCC3)c(C)nc2s1 20921891 PZZQKWFTDUSGOB-UHFFFAOYSA-N 341.458 1.938 0 40 EDAB CCn1nc(C)c2c(C(=O)N3CCN4CCC[C@H]4C3)cc(C)nc21 28244895 KQPIWHJTZLZWRZ-AWEZNQCLSA-N 327.432 1.988 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)CNc1ccccc1OC(F)(F)F 22812229 FLZDGJBNHXJCMI-UHFFFAOYSA-N 345.321 1.734 0 40 EDAB Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2ccncc2Cl)n[nH]1 1551462251 VKZQZYOFQSHWCL-DGCLKSJQSA-N 335.795 1.806 0 40 EDAB COCC1(S(=O)(=O)N2CC[C@H](c3ccccc3)[C@H]2C(=O)O)CC1 515174197 WOTHXWVALVRMMZ-KGLIPLIRSA-N 339.413 1.438 0 40 EDAB Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3COCC(=O)N(C)C)c1 306145090 ZXRILQMLJIJDDB-MRXNPFEDSA-N 346.427 1.331 0 40 EDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cccc(-n2cncn2)c1 79361604 RJGIGIUUTOKVAC-HNNXBMFYSA-N 349.398 1.456 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C(C)(C)CO1 36076005 LEPZCEUNAYIHKR-NSHDSACASA-N 338.429 1.394 0 40 EDAB CC(=O)N1CCC[C@@H](Cc2ccc(C(=O)NC3CCCC3)nn2)C1 72387205 YMFYQHWHJCEHMG-AWEZNQCLSA-N 330.432 1.950 0 40 EDAB COc1cccc(CC(=O)N2CCC(Nc3cccnn3)CC2)n1 185662350 FCCOUQADUZNPHL-UHFFFAOYSA-N 327.388 1.526 0 40 EDAB O=C(Nc1cccnc1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 70816416 KQOMODHOUXSLGN-UHFFFAOYSA-N 325.324 1.521 0 40 EDAB CC(=O)NC1CCN(C(=O)c2cc([C@@H]3CCCN3C)ccn2)CC1 72365884 JFAYUIDHRCBITI-KRWDZBQOSA-N 330.432 1.589 0 40 EDAB CC(C)(C)CN(CCO)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 69664085 IPUCRGIHOTXEDD-UHFFFAOYSA-N 347.459 1.858 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)c1cc(-n2cnnn2)ccc1Cl 72404962 BVCDLQTWVUSLEQ-UHFFFAOYSA-N 345.794 1.596 0 40 EDAB Cc1ccc(N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1 219859444 LWPYDBNKLIRZQU-UHFFFAOYSA-N 331.460 1.660 0 40 EDAB NC(=O)CN1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 72361860 CTDRRIYWCUBXHW-NSHDSACASA-N 332.433 1.417 0 40 EDAB CC(=O)N1CCO[C@@H](c2cc(NCc3cc(C)no3)nc(C)n2)C1 72387098 FKJHGRNCLQGYEW-OAHLLOKOSA-N 331.376 1.613 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)Nc2cccnc2)cc1C 226746504 CRQIBJMFXVNKNB-UHFFFAOYSA-N 336.369 1.743 0 40 EDAB Cc1cccc(C(=O)OCCc2c(C)[nH]c3ncnn3c2=O)c1F 130652116 YYWRVDVUKHTJGT-UHFFFAOYSA-N 330.319 1.573 0 40 EDAB COc1ccc(S(=O)(=O)N(CCN(C)C)c2ccccc2)cn1 192913723 JAPDGWGFFAESHQ-UHFFFAOYSA-N 335.429 1.847 0 40 EDAB COc1ccc2c(c1)CN([C@H]1CC(=O)N(CC(F)(F)F)C1=O)CC2 195239432 VYDSWFLYFQZFDN-ZDUSSCGKSA-N 342.317 1.743 0 40 EDAB Cc1ccc(N(C)S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)nn1 194822581 VJJJUFKILPYQSP-UHFFFAOYSA-N 334.401 1.312 0 40 EDAB COc1ccc2nc3n(c2c1)[C@@H](CNC1CCN(C)CC1)COC3 96112627 RTPFXQQBIISBHF-AWEZNQCLSA-N 330.432 1.800 0 40 EDAB biogenic,in-vitro O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccoc1 96044401 NANQWCJFCYOHCH-INIZCTEOSA-N 345.399 1.947 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)NCc1cc(Cl)cc2c1OCC2 96013796 KPFBVKPIUJLHKR-SNVBAGLBSA-N 335.795 1.754 0 40 EDAB Cn1cc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)cn1 96107390 JKKYMDPQYJYWBR-QAPCUYQASA-N 342.399 1.658 0 40 EDAB CN(Cc1cn2c(n1)CN(C(=O)[C@@H]1CCOC1)CC2)Cc1ccco1 96197479 XQUJLIWZIDAMRG-CQSZACIVSA-N 344.415 1.487 0 40 EDAB C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCc1cc(F)c(F)c(F)c1 97095064 NSYUDDGRGNTZFA-ZYHUDNBSSA-N 346.349 1.828 0 40 EDAB O=c1cccnn1C[C@H]1CN(Cc2ccsc2)Cc2nccn2C1 96188726 BPJVDZYUYXGPSR-HNNXBMFYSA-N 341.440 1.834 0 40 EDAB CC(C)c1nc(C(=O)NN2CCOCC2)nn1-c1ccccc1F 96435970 OFBCUFGSNMJKDH-UHFFFAOYSA-N 333.367 1.507 0 40 EDAB O=C(C[C@H]1CO[C@@H]2CN(c3ncccn3)C[C@@H]21)NCc1cccs1 96209636 PFSAQVSHFBOWJF-NWANDNLSSA-N 344.440 1.696 0 40 EDAB C[C@H](c1ccc(Cl)cc1)N1CCN(CCNS(C)(=O)=O)CC1 96441554 WRFHTSOAUCYKHY-CYBMUJFWSA-N 345.896 1.568 0 40 EDAB O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccco1 96044398 AJTCOLUQASDGDX-MRXNPFEDSA-N 345.399 1.947 0 40 EDAB CN(C)c1cc(N2CC3(C[C@@H](Oc4ccccn4)CCO3)C2)ncn1 248134260 REXTXNAGJZRBQZ-AWEZNQCLSA-N 341.415 1.754 0 40 EDAB Fc1cnc(N2CC3(C[C@@H](OCc4cccnc4)CCO3)C2)nc1 247524890 MRCDYUFKYPDHKG-HNNXBMFYSA-N 330.363 1.965 0 40 EDAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cocn2)C3)n1 247879383 QHDPAGUEUMJZHE-OAHLLOKOSA-N 343.383 1.968 0 40 EDAB Cc1nn(C)c(C)c1-c1cncc(C[C@@H]2CCN(S(C)(=O)=O)C2)n1 257237549 HHAIGFQMLVQQEV-ZDUSSCGKSA-N 349.460 1.318 0 40 EDAB CCc1nccn1CCC(=O)N1CCO[C@@H](c2nc(C)cn2C)C1 257233181 GODQGSUWVLHSBL-CQSZACIVSA-N 331.420 1.478 0 40 EDAB Cc1cc(-c2ccnn2C)nc(C2CCN(S(C)(=O)=O)CC2)n1 257325415 WSVXDUPLUDPIDB-UHFFFAOYSA-N 335.433 1.325 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(S(=O)(=O)C(C)C)CCN2C)c1 257274300 NKKLNDNKNYQYEW-OAHLLOKOSA-N 339.461 1.073 0 40 EDAB Cc1cnc(C(=O)N(C)C[C@]2(O)CCN(c3ccc(F)cn3)C2)cn1 257290703 QEACHLXXKCHCKH-QGZVFWFLSA-N 345.378 1.033 0 40 EDAB Cc1ncoc1C(=O)N1CC[C@@H]2[C@@H](CCCCN2S(C)(=O)=O)C1 257257984 KRWUSTPZUMVHMT-QWHCGFSZSA-N 341.433 1.259 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)n1 257293739 QQZDRFLAYZOXBU-HNNXBMFYSA-N 327.388 1.714 0 40 EDAB COc1ccc(CCNC(=O)N2CCN(C[C@H](O)C3CC3)CC2)cc1 85466792 IXTCVWYFHPNTEM-SFHVURJKSA-N 347.459 1.336 0 40 EDAB O=C(CCCn1ccnc1)N1CCOC[C@H]1CCc1cnccn1 257297130 RFZPLCNVLFMZAG-MRXNPFEDSA-N 329.404 1.314 0 40 EDAB O=C(Cn1ncccc1=O)NCc1ccnc(-c2cccs2)c1 252571472 XYPIXAWHKYZAPQ-UHFFFAOYSA-N 326.381 1.683 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)CCc3ccccc3)CC2)OC[C@]1(C)O 257235144 GWPZWPGKMVTYNF-HKUYNNGSSA-N 346.471 1.740 0 40 EDAB Cc1cc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)nc(C)n1 257337292 YSERGEYJZMFQLK-OAHLLOKOSA-N 327.388 1.519 0 40 EDAB O=C(CC1(O)CCCCC1)NC[C@]1(O)CCCN(c2cnccn2)C1 257241261 HXIXALYRULAQQW-GOSISDBHSA-N 348.447 1.009 0 40 EDAB CCCn1nc(C)c(C(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1C 257284986 PFEBMOIMLKAFGC-BFYDXBDKSA-N 334.464 1.627 0 40 EDAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccsc1 257274225 NKBXCCACQAQSSD-MRXNPFEDSA-N 332.429 1.642 0 40 EDAB Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)O)cc1C 262960389 LYQXXRLCFMYSCG-YQQAZPJKSA-N 344.411 1.745 0 40 EDAB O=C(NCC[C@@]1(O)CCCOC1)[C@@H]1CCN(C(=O)c2ccccc2)C1 628009010 FFWRAKQBOKSLEY-APWZRJJASA-N 346.427 1.197 0 40 EDAB CCn1ncc2c(=O)n(Cc3ccc4c(c3)OC(F)(F)O4)cnc21 551933167 BFFFQIMRVPDCKN-UHFFFAOYSA-N 334.282 1.983 0 40 EDAB CCOC(=O)C(F)(F)C1(O)CCN(C(=O)c2nc(C)oc2C)CC1 1615586411 NGTWTZIHWVLCTC-UHFFFAOYSA-N 346.330 1.457 0 40 EDAB CN(C)[C@H]1CN(c2ncc(Br)cn2)CC12CCOCC2 1615614280 FYEZZPJGWSXTIN-LBPRGKRZSA-N 341.253 1.786 0 40 EDAB C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCCC1)c1nnc2c(=O)[nH]ccn12 1616037937 IKSROUFKSCRARW-WCFLWFBJSA-N 329.404 1.811 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(CC[C@@H](CNC(=O)c3ccncc3)CO2)C1 575405629 SSUCVEZXQKUJBV-IJEWVQPXSA-N 343.427 1.475 0 40 EDAB CNc1ncc(CN2CCC[C@](O)(COc3cccc(C)c3)C2)cn1 585276325 IEZWEJYLSQUQAJ-LJQANCHMSA-N 342.443 2.233 0 40 EDAB O=C(CCc1nc2ccccc2[nH]1)N1CC[C@]2(CCCO2)C(=O)C1 585289155 NEDDRIQEVZLDCB-GOSISDBHSA-N 327.384 1.846 0 40 EDAB Cc1cccc(S(=O)(=O)N[C@H](c2cnn(C)c2)c2noc(C)n2)c1 585141928 IQUQQWQTEGFKBO-CQSZACIVSA-N 347.400 1.488 0 40 EDAB CN(C)CCC(=O)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 585093693 HLFFKWNBURBWQK-MRXNPFEDSA-N 333.432 1.310 0 40 EDAB CN1C[C@@H](COc2cccnc2)CC12CN(C(=O)c1cnccn1)C2 585093748 BXKVFBYQERRZTD-AWEZNQCLSA-N 339.399 1.097 0 40 EDAB CCS(=O)(=O)CCNC(=O)Cc1c[nH]c2cc(Cl)ccc12 68056427 YLUXMVYURRVLCW-UHFFFAOYSA-N 328.821 1.915 0 40 EDAB CC(=O)Nc1cccc(CNC(=O)CNC(=O)c2ccc(F)cc2)c1 32925282 RVIRJIMUBSSLJK-UHFFFAOYSA-N 343.358 1.830 0 40 EDAB Cc1ccc(-n2cnnc2S(=O)(=O)[C@@H](C)C(=O)N(C)C)c(C)c1 72690096 FOXJHVBUIIHHTF-LBPRGKRZSA-N 336.417 1.135 0 40 EDAB Cn1nc(CC(=O)NC[C@@H]2Cc3ccccc3O2)c2ccccc2c1=O 46278332 SGCXTALUEUUCJB-AWEZNQCLSA-N 349.390 1.596 0 40 EDAB O=C1NCCN(S(=O)(=O)c2ccccc2F)[C@H]1c1ccccc1 58195146 FGZCHLMDZFPGLR-HNNXBMFYSA-N 334.372 1.688 0 40 EDAB O=C(Cn1cncn1)NCCCc1ccc(Br)cc1F 75140076 JAUKOHMBOMNVAR-UHFFFAOYSA-N 341.184 1.929 0 40 EDAB Cc1cc(C(=O)N2CCc3ccc(F)cc32)c2c(=O)[nH]n(C)c2n1 59007023 GCNMQCUGLMINCT-UHFFFAOYSA-N 326.331 1.912 0 40 EDAB CN1CCN(CCCCNC(=O)NCc2ccc3c(c2)OCO3)CC1 56398893 KFDURCSRDZZUOU-UHFFFAOYSA-N 348.447 1.242 0 40 EDAB NC(=O)C1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 57126746 PAWJBHFGNMFUSF-UHFFFAOYSA-N 340.362 1.632 0 40 EDAB CCCc1nc(C)c(C(=O)NCCn2nc3ccccn3c2=O)s1 57240603 PZICWRXOFRIFNO-UHFFFAOYSA-N 345.428 1.643 0 40 EDAB C[C@@H]1CN(C(=O)Cc2cn3ccsc3n2)C[C@H]1N1CCOCC1 76054470 CMQCFTSAKKNXPB-TZMCWYRMSA-N 334.445 1.117 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCN(C[C@H](O)C3CC3)CC2)s1 85467041 OWVYHTUTTHCFRR-AWEZNQCLSA-N 344.502 1.388 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)c1ccccn1 583623225 WSLMWZAMLUGLOT-QWHCGFSZSA-N 342.403 1.194 0 40 EDAB CC(C)(C)CN[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(-c2ccccc2)nn1 1548925287 YWPWEGAJCZNZOE-GVDBMIGSSA-N 330.432 1.709 0 40 EDAB O=C([C@H]1CSCCS1)N1CCC[C@H](NCC(F)(F)F)C1 1615586797 SIRMUJOFCSFJQZ-VHSXEESVSA-N 328.425 1.978 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F 11667641 MOODWPVZKBDFAL-NRUUGDAUSA-N 348.346 1.636 0 40 EDAB CSCC[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1C)C(=O)O 13027298 NSESCEPNXJHXDZ-SNVBAGLBSA-N 347.414 1.178 0 40 EDAB CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OCC)c(C)c1 16638822 BWOMXPKVIIHHHC-UHFFFAOYSA-N 342.461 1.931 0 40 EDAB CCCC(Cc1c(O)nc(C)[nH]c1=O)Cc1c(O)nc(C)[nH]c1=O 18996465 NGPOODXCHZQHQT-UHFFFAOYSA-N 334.376 1.083 0 40 EDAB NC(=O)c1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 19172309 QDQBIIYSBXTXHW-UHFFFAOYSA-N 347.396 1.004 0 40 EDAB COC(=O)CCNC(=O)CCS(=O)(=O)c1ccccc1Cl 168025278 UBHUBGBTXKIJHG-UHFFFAOYSA-N 333.793 1.183 0 40 EDAB Cc1nn(C(C)(C)C)c(=O)n1CC(=O)c1ccc2c(c1)CCC(=O)N2 155727154 WNAYPHWZVCHFAJ-UHFFFAOYSA-N 342.399 1.876 0 40 EDAB N[C@H](C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)C1CCC1 574629979 LLTFHXJEXHGENL-INIZCTEOSA-N 336.480 1.737 0 40 EDAB CCC1(CC)NC(=O)N(C[C@@H](O)COc2cccc(C(C)=O)c2)C1=O 24093241 IJRMLMXDGJMJQS-CQSZACIVSA-N 348.399 1.740 0 40 EDAB O=C(NCCCn1cncn1)c1cc(Cl)c2c(c1)OCCCO2 41862706 KJNVPAZXEWYSDB-UHFFFAOYSA-N 336.779 1.913 0 40 EDAB C[C@H](C(=O)NCc1nc(-c2cc(C3CC3)on2)no1)n1cccn1 238904389 RTDNUJYLXOGSCD-SECBINFHSA-N 328.332 1.676 0 40 EDAB CCn1ccc(C(=O)N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)n1 2037985136 YPNJNISCJVKYIO-KRWDZBQOSA-N 334.420 1.003 0 40 EDAB O=C(O)c1ccc(CN2CCn3ncnc3C2)c(Br)c1 517241633 XWQAMWQPBWSKKA-UHFFFAOYSA-N 337.177 1.755 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@@H]2NCc1cc[nH]n1 584908890 OYQQQWUVWWOAAZ-KLUPXHKWSA-N 336.436 1.818 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C[C@H]3C2)cs1 1048996624 RWYJBOHVYMJNSV-BDRNCRCMSA-N 333.457 1.234 0 40 EDAB O[C@H]1CCCC[C@@H]1N1CCN(c2cc(N3CCCC3)ncn2)CC1 2087121771 GNPLNBWIARVQIK-HOTGVXAUSA-N 331.464 1.502 0 40 EDAB COCCNC(=O)c1cnn2c1CN(C(=O)C1CC(C)C1)CCC2 1565553343 UYHSEMLIPCEAMP-UHFFFAOYSA-N 334.420 1.038 0 40 EDAB O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1cccc(-n2cnnn2)c1 116933 RHSMCWQKNLRBTE-KRWDZBQOSA-N 335.323 1.075 0 40 EDAB biogenic O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(O)CC1 4374272 SDBVLSQPAOOPFK-GFCCVEGCSA-N 337.807 1.612 0 40 EDAB CC(C)CN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713329 BAPIUCBJVACRHE-CQSZACIVSA-N 332.448 1.796 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(c2ncc(C(F)(F)F)cc2F)C1 2298048613 KEWBNAUJJDQQGE-VIFPVBQESA-N 341.330 1.758 0 40 EDAB C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 30377607 MCTXGMOYKDYSSS-BXUZGUMPSA-N 344.415 1.283 0 40 EDAB C=CC(=O)NCc1ccc(C(=O)N2CCC(NC(C)=O)CC2)cc1 50409026 GGKOBNWGXANJDC-UHFFFAOYSA-N 329.400 1.230 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCN(c3nccs3)CC2)n1 31537431 KXAVIJAWGPQFRB-UHFFFAOYSA-N 335.433 1.931 0 40 EDAB Cc1ccc([C@](O)(CCNC(=O)c2ccc(=O)[nH]c2)C(F)(F)F)o1 40512138 AJBOIVHPQGBRRX-CQSZACIVSA-N 344.289 1.846 0 40 EDAB COc1cc(F)c(S(=O)(=O)N2CCC(N(C)C)CC2)cc1OC 40513445 MKQSFXQIYPUBJZ-UHFFFAOYSA-N 346.424 1.558 0 40 EDAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1CC(=O)N(CC2CC2)C1 40508812 AZHSPEZUARZQAM-CYBMUJFWSA-N 325.372 1.464 0 40 EDAB C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccc(F)c1 40501143 HMUTUMGFJQYEIM-NSHDSACASA-N 343.424 1.610 0 40 EDAB CC(C)Nc1nc(NC(C)C)nc(N(C#N)[C@H](C)C(=O)N(C)C)n1 366114 JKVLJNLOJVJRFM-LLVKDONJSA-N 334.428 1.276 0 40 EDAB COCCn1nc(C(=O)N(C)CCOc2ccccc2C)ccc1=O 21964158 AGULYFUPPFXTIJ-UHFFFAOYSA-N 345.399 1.349 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(-n2cnnn2)cc1 22842702 WLIHOEBLTLHODE-UHFFFAOYSA-N 333.348 1.911 0 40 EDAB CC(C)C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)c2ccccc2C1=O 95407 DDJHFDJIQXZPCO-XJKSGUPXSA-N 344.411 1.993 0 40 EDAB C[C@H](c1cccnc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 47266072 XTACPIKXUZBYLL-CQSZACIVSA-N 332.429 1.544 0 40 EDAB CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)Cc1ccccn1 47405463 GXUNQZPQNXIYLE-UHFFFAOYSA-N 337.376 1.621 0 40 EDAB COCCN1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 22926421 XLADUNIJBMRQIY-OAHLLOKOSA-N 337.439 1.137 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 78113867 RQTNOAZTTDXOGP-DZGCQCFKSA-N 349.479 1.983 0 40 EDAB CC(C)(C)[C@@H](CO)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 78821687 AWTLRLDMSUOCFH-CYBMUJFWSA-N 349.474 1.313 0 40 EDAB CSC1(CNC(=O)Cc2cn3ccsc3n2)CCOCC1 78877503 SKSILTCFLHJOJG-UHFFFAOYSA-N 325.459 1.967 0 40 EDAB CC(C)(C)c1noc(COC(=O)Cc2n[nH]c(=O)c3ccccc23)n1 23944580 FFVOJUJKHFBOAE-UHFFFAOYSA-N 342.355 1.890 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccnc(-n2cncn2)c1)c1cccs1 54704846 VXJQFMLTDDZUBM-CYBMUJFWSA-N 342.428 1.757 0 40 EDAB Cn1c(=O)c2ccccc2n2c(CSC3=NCCS3)nnc12 12532910 AXYRDMUUQUYIGX-UHFFFAOYSA-N 331.426 1.917 0 40 EDAB Cc1ccc([C@H](NCC(=O)N2CCNC(=O)C2)c2ccccc2)cc1 24227631 BQXXGCHLIZSHKM-HXUWFJFHSA-N 337.423 1.632 0 40 EDAB Cn1cccc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 102766534 IKCLSRTZVDXJTH-OFQRWUPVSA-N 327.428 1.958 0 40 EDAB COc1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 24943620 GIKUKXWJLWUVCB-MRXNPFEDSA-N 347.415 1.228 0 40 EDAB COC[C@@H](C)NC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3 55502436 ZHYLLOKWVLOGQA-SNVBAGLBSA-N 349.456 1.947 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(C)cc2)cc1 8372469 SVLRBHCQIRPGIT-UHFFFAOYSA-N 348.424 1.598 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1n[nH]c(=O)n1C1CC1 8504175 DICPAMJCKYUIII-VIFPVBQESA-N 336.421 1.803 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 106910041 ZPNFBLQOGKIMBQ-YCPHGPKFSA-N 330.432 1.352 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCOc1ccc(F)cc1 84414974 FDNIFLRUVYHSPQ-GASCZTMLSA-N 348.374 1.496 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)N2Cc3ccccc3C2)[C@H]1c1cnn(C)c1 95397541 PBLHMFUCPYGZJD-SJLPKXTDSA-N 338.411 1.872 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C[C@@H]21 108148574 SKPRRRCAWRPEJB-MJBXVCDLSA-N 345.226 1.568 0 40 EDAB COc1ccc(Cl)cc1NC(=O)NC[C@H]1CCS(=O)(=O)C1 44457467 ARCYKQDITZNJRN-SECBINFHSA-N 332.809 1.905 0 40 EDAB O=C(CCc1cnn(-c2ccccc2)c1)NC[C@@H]1CCS(=O)(=O)C1 44721906 BHAWYZFFXYEKHG-HNNXBMFYSA-N 347.440 1.356 0 40 EDAB Cc1c(C)c2ccc(O[C@H](C)C(=O)NCCC(=O)O)cc2oc1=O 2094428 RBXKLBIDWLOQPT-LLVKDONJSA-N 333.340 1.768 0 40 EDAB biogenic CC(C)C[C@H](NC(=O)c1ccnc(-n2ccnc2)c1)C(=O)N(C)C 58196190 VHAGHWNRLVZDML-AWEZNQCLSA-N 329.404 1.500 0 40 EDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(O)c1 10272203 JLKFLOARZRNJGC-CQSZACIVSA-N 330.344 1.462 0 40 EDAB CCOc1c(CN[C@@H]2CCS(=O)(=O)C2)c(C)nn1CC(C)C 58292640 UCJZQKQPAOVNBY-CYBMUJFWSA-N 329.466 1.523 0 40 EDAB Cc1cc(CN(C)C(=O)NC[C@H](CC(C)C)N2CCOCC2)no1 44967768 IFTWDOAFAGQDOI-INIZCTEOSA-N 338.452 1.871 0 40 EDAB NC(=O)c1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1 10367127 LKDJIDQXZMOOBZ-UHFFFAOYSA-N 337.339 1.802 0 40 EDAB COc1c(CNCCCNC(=O)c2ccccc2F)c(C)nn1C 58311952 JYNTVECPSGAOPR-UHFFFAOYSA-N 334.395 1.786 0 40 EDAB C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(N2CCNC2=O)CC1 52216686 UWCWUMVDYRIOCO-OAHLLOKOSA-N 344.459 1.523 0 40 EDAB O=C(NC1CCCC1)c1sccc1S(=O)(=O)N1CCOCC1 58364355 PYKGHHZXHUJILQ-UHFFFAOYSA-N 344.458 1.441 0 40 EDAB CCN(CC(=O)NC)C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 58304613 QSYVCAIWSMDUCW-UHFFFAOYSA-N 343.431 1.907 0 40 EDAB CN(Cc1ccccc1Cl)C(=O)c1cnc2nc(O)[nH]c(=O)c2c1 48170053 BUKLBJFYASXTML-UHFFFAOYSA-N 344.758 1.949 0 40 EDAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1ccccn1 48280658 NCRQKZNILDESPO-UHFFFAOYSA-N 348.200 1.972 0 40 EDAB NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c3ncccc23)C1 48279776 GNHBSSPFJLPVQD-SNVBAGLBSA-N 337.376 1.260 0 40 EDAB FC(F)(F)c1ccnc(Sc2nnnn2C[C@H]2CCCO2)n1 58620753 MYROUFHUKOBQQQ-SSDOTTSWSA-N 332.311 1.812 0 40 EDAB COc1ccc(C(=O)NC[C@H](c2cccn2C)N2CCOCC2)cc1 21151971 BJKWAOKCCXWDJF-GOSISDBHSA-N 343.427 1.837 0 40 EDAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ncnc3nc[nH]c23)c(C)o1 11159369 RZDQKSUGCDFFCZ-VIFPVBQESA-N 329.316 1.747 0 40 EDAB O=C(C1CCN(Cn2nnc3ccccc3c2=O)CC1)N1CCCC1 28708961 CMAMBTCJLWDOKD-UHFFFAOYSA-N 341.415 1.083 0 40 EDAB COc1ccccc1NC(=O)C[C@@H](C)NCCc1nnc2n1CCC2 95419920 ZDWDXGFQCHXBLD-CYBMUJFWSA-N 343.431 1.782 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3ccn(C)c(=O)c3)CC2)c(C)o1 52242675 WHBNLHXAECKNPK-UHFFFAOYSA-N 329.400 1.553 0 40 EDAB Cc1cccc(CN2CC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)n1 107785669 MPAIKZFJXHNNOV-AEFFLSMTSA-N 326.400 1.992 0 40 EDAB CCN(CC)c1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 54005067 NPEAMHYNXVHSQH-KGLIPLIRSA-N 339.486 1.393 0 40 EDAB CCCS(=O)(=O)NC1CCN(c2nn3cc(C)nc3s2)CC1 29589033 MHWBQPXPPMUCNE-UHFFFAOYSA-N 343.478 1.397 0 40 EDAB O=C(CNS(=O)(=O)c1cccs1)N[C@@H]1CCc2ccccc21 46406740 RYYKFWVSHONCNG-CYBMUJFWSA-N 336.438 1.830 0 40 EDAB COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1 95463599 JEXXCNHVXUNEKD-BJOOFOGMSA-N 346.427 1.898 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)s1 25252498 XEJQMIWEMGAGJD-GFCCVEGCSA-N 344.458 1.068 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)on1 46810833 YKLGUVWLECBSLP-UHFFFAOYSA-N 328.372 1.040 0 40 EDAB CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1 95402320 GFLRVKGWJYRYED-CYBMUJFWSA-N 344.419 1.914 0 40 EDAB Cc1cccc(C)c1CNc1ccn(CC(=O)N2CCN(C)CC2)n1 97032902 HSKHRNSQWYQBQU-UHFFFAOYSA-N 341.459 1.886 0 40 EDAB CC(C)(CNS(=O)(=O)c1cnccc1Cl)N1CCOCC1 71204423 LDOUNLPXUGNWLV-UHFFFAOYSA-N 333.841 1.124 0 40 EDAB Cn1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)n1 72269167 BQKYEIIVTFELIY-NWDGAFQWSA-N 346.353 1.110 0 40 EDAB Cc1nc(C)n(C[C@H]2CN([C@@H](C)c3nc(C4CC4)no3)CCO2)n1 72253518 NSXJYLZEMDLBAQ-IINYFYTJSA-N 332.408 1.617 0 40 EDAB CC(C)NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 5792004 DENNKRSWKANCON-OAHLLOKOSA-N 325.315 1.256 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 5852227 XOXYUXWXHJOUCK-UHFFFAOYSA-N 346.368 1.615 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N(C)C)[C@H]2C)cc1 4999043 ICGJEDLPZKQVHS-NEPJUHHUSA-N 341.433 1.418 0 40 EDAB CC[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(C)cc1 9313862 REDJONKBQVMBFF-HNNXBMFYSA-N 339.399 1.706 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(-n2ccnc2)c1 72287264 KMBCUTHKCAVAOC-KRWDZBQOSA-N 334.379 1.699 0 40 EDAB COc1cccc(CN2CCC(NC(=O)[C@@H]3COCCO3)CC2)c1 80409211 PUGUCTQIEXKNLD-KRWDZBQOSA-N 334.416 1.191 0 40 EDAB C[C@H]1CCCN(C[C@@H](C)NC(=O)C2CCN(c3ncccn3)CC2)C1 68211025 GXYPZKKOLASQSC-JKSUJKDBSA-N 345.491 1.930 0 40 EDAB Cc1cnc(CN(C)[C@@H]2CCN(CC(=O)Nc3nccs3)C2)o1 84258764 VOATYQGERXOKMW-GFCCVEGCSA-N 335.433 1.584 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 9483727 SSIYVCINWMPMRC-LLVKDONJSA-N 325.365 1.438 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CC(=O)N(Cc2ccccc2)C1 97197823 AILHSVITMCHJHP-JKSUJKDBSA-N 338.411 1.363 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)[C@@H]1CSCN1C(=O)C1CCC1 69394223 ARXQNZFJUGMPFB-HIFRSBDPSA-N 348.472 1.615 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)N[C@H]1C[C@H]1c1ccccc1Cl 69352206 VDSUYZAAETXOEA-JSGCOSHPSA-N 342.848 1.043 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)c2ccccc2S(C)(=O)=O)C1 69417529 JWOCRVCJCJHSSR-LLVKDONJSA-N 340.401 1.051 0 40 EDAB O=C1CN(C(=O)NCc2nccn2CCCc2ccccc2)CCN1 83751875 AEMAAHWWNWOAJL-UHFFFAOYSA-N 341.415 1.157 0 40 EDAB CCN1C[C@@H](C(=O)N2CCCN(Cc3cscn3)CC2)CC1=O 69779025 FEHDYGPFMYJOFY-ZDUSSCGKSA-N 336.461 1.046 0 40 EDAB COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cc1 69740714 KZEPEQSPRMRGLH-RHSMWYFYSA-N 345.443 1.225 0 40 EDAB CN1CCN([C@@H](C(=O)NCCc2cccnc2)c2ccccc2)CC1 69844655 KFZQNUBGJXGFDJ-LJQANCHMSA-N 338.455 1.729 0 40 EDAB O=C(NCc1cc[nH]n1)N[C@H]1CCCN(c2cccc(F)c2)C1=O 69974590 AEOAZTBTRFLJQB-AWEZNQCLSA-N 331.351 1.544 0 40 EDAB C[C@@H](C(=O)NC1CCCCCC1)N(C)CC1CCN(CCO)CC1 69923586 OXWSCORAQNTACS-INIZCTEOSA-N 339.524 1.850 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCN2CCCC[C@H]2C1 71839945 YIXQVWFNPPBGED-INIZCTEOSA-N 325.416 1.886 0 40 EDAB COc1cccc(S(=O)(=O)CCN2CC(n3cc(C)cn3)C2)c1 71876856 SIHZMXPZDPFELM-UHFFFAOYSA-N 335.429 1.531 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](N(C)C)C2)c(C)c1F 96501615 XWRZTTLWASXYFS-NEPJUHHUSA-N 330.425 1.904 0 40 EDAB O=C(NCc1cccc(F)c1)Nc1ccn(CCN2CCOCC2)n1 71912174 PRAWASCQQAKRQV-UHFFFAOYSA-N 347.394 1.676 0 40 EDAB CS(=O)(=O)NCCNC(=O)c1c2c(nc3ccccc13)CCC2 83987553 AXZAUCXPXVPAPZ-UHFFFAOYSA-N 333.413 1.003 0 40 EDAB COC(=O)C[C@@H](c1c(O)n[nH]c1C)c1cc2ccccc2[nH]c1=O 95477156 SWRIHHKYRLZCOZ-LLVKDONJSA-N 327.340 1.960 0 40 EDAB Cc1nn(CCC(=O)N[C@@H](C)CN2CCOCC2)c(C)c1Cl 22241431 SATPLSHZPLBORP-NSHDSACASA-N 328.844 1.380 0 40 EDAB Cn1cc(N2CCC[C@H](Nc3ccc4c(c3)oc(=O)n4C)C2=O)cn1 98014369 YAUCJPKJZGPFKF-ZDUSSCGKSA-N 341.371 1.473 0 40 EDAB CCN1CCO[C@H](C(=O)N2CCN(c3cccc(C)n3)C[C@@H]2C)C1 73726963 RIDYYELNKSLKBR-HOTGVXAUSA-N 332.448 1.148 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC(C)(C)C2)c1 95973817 BTECXSZITRQYBC-LBPRGKRZSA-N 326.418 1.282 0 40 EDAB COCCN1C[C@@H](C(=O)N2CCc3c([nH]c4ccccc34)C2)CC1=O 89363863 IQCLSAJAJMGVAF-ZDUSSCGKSA-N 341.411 1.548 0 40 EDAB O=C(NCCNc1ncccn1)c1ccc(-c2ccco2)[nH]c1=O 75125546 ULUKGIDVAODHSU-UHFFFAOYSA-N 325.328 1.267 0 40 EDAB C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCNC2=O)CCN1Cc1ccccc1 89920227 JQVBFFXWAWHTCZ-DJIMGWMZSA-N 344.459 1.617 0 40 EDAB NS(=O)(=O)c1cccnc1NCCCN1CCc2ccccc2C1 75611032 QTTCCFMDSLYYQE-UHFFFAOYSA-N 346.456 1.589 0 40 EDAB O=C(c1ccsc1)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306137993 RLUFXRJBMACVPF-BFHYXJOUSA-N 330.413 1.737 0 40 EDAB Cc1c(C(F)(F)F)n[nH]c1C(=O)N1CCC[C@@H](CC(N)=O)CC1 1550771570 OTKJMYFOAKDMHQ-SECBINFHSA-N 332.326 1.855 0 40 EDAB CO[C@H](C(=O)N1CCN(Cc2noc(C)n2)CC1)c1ccccc1 79001531 UMDRAWOTIJBHKV-INIZCTEOSA-N 330.388 1.410 0 40 EDAB COC(=O)[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)c2ccccc2O1 78921902 KPJHVNOFBLPZDH-LBPRGKRZSA-N 346.305 1.448 0 40 EDAB COc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)ncn1 77198996 SOFLYTKRCXGLPQ-SNVBAGLBSA-N 330.319 1.616 0 40 EDAB COC(=O)[C@H]1CN(CC(=O)N(C)CC(F)(F)F)c2ccccc2O1 78921899 KPJHVNOFBLPZDH-GFCCVEGCSA-N 346.305 1.448 0 40 EDAB Cc1cc(C(=O)OCCN(C)S(=O)(=O)N(C)C)c(C)n1C(C)C 78715095 YAZZYSJYSFVFBO-UHFFFAOYSA-N 345.465 1.581 0 40 EDAB CN1C(=O)CO[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(Cl)cc1 72241315 MMTLUNSZANOXHD-GJZGRUSLSA-N 338.791 1.097 0 40 EDAB COc1cccc(CN2CCN(c3ccnc(N(C)C)n3)CC2)c1 340171883 BSGCOBRMRAXWKQ-UHFFFAOYSA-N 327.432 1.873 0 40 EDAB Cn1ccnc1N1CCN(C(=O)c2ccc3nsnc3c2)CC1 49342718 XHRXYAATSRWAPR-UHFFFAOYSA-N 328.401 1.387 0 40 EDAB Cn1cccc(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)C2)c1=O 225675948 XZYBDPYOICFMBH-ZDUSSCGKSA-N 326.352 1.744 0 40 EDAB C[C@H](C(=O)NCCc1cccs1)n1nnc2ccccc2c1=O 44450550 SBRUOBIVOIWUIO-LLVKDONJSA-N 328.397 1.773 0 40 EDAB COc1ccc(F)cc1CN1C[C@H](c2cnn(C)c2C)[C@@H](C(N)=O)C1 527571794 GABZYTOEVUGHAP-CVEARBPZSA-N 346.406 1.577 0 40 EDAB COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(N)cc1 225314309 GLWYZGUWIBYLDB-UHFFFAOYSA-N 338.360 1.776 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@@H]1c1ncn(Cc2ccccc2)n1 225454496 ZJADXWIQVYNIRD-OAHLLOKOSA-N 348.428 1.192 0 40 EDAB COc1cccc(NC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)c1 223038075 JBUMUOUXYPTRQN-UHFFFAOYSA-N 336.369 1.604 0 40 EDAB Cc1ccc([C@@H](O)CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)o1 49026827 RINKFJUDMBVQLX-DOMZBBRYSA-N 346.358 1.930 0 40 EDAB CS(=O)(=O)NCCNC(=O)c1cnc(-c2ccccc2)s1 46574664 GHHOYUVEGAJQCV-UHFFFAOYSA-N 325.415 1.089 0 40 EDAB CC(C)Oc1ccc(Cl)cc1C(=O)N(C)CCNS(C)(=O)=O 69738391 ANBZHKXCKZUBLT-UHFFFAOYSA-N 348.852 1.748 0 40 EDAB Cc1nc(C2CCN(C(=O)[C@H]3NCCc4ccccc43)CC2)n[nH]1 195543373 IYTIPGYUHMHWCU-INIZCTEOSA-N 325.416 1.706 0 40 EDAB O=C(Cc1ccccc1F)NCCn1c(=O)[nH]c2ccsc2c1=O 225805948 IYVZDPRRZARHOI-UHFFFAOYSA-N 347.371 1.249 0 40 EDAB CCOc1ccc([C@H](C)NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 225791950 ANTCXSHKLKSCLR-URXAQBOPSA-N 331.368 1.917 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)c(C)c1 224189635 RDVMNSYOEYJVQM-UHFFFAOYSA-N 334.445 1.946 0 40 EDAB CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2ccco2)C1 192938206 GRSAAADYFOSSEE-HNNXBMFYSA-N 335.429 1.817 0 40 EDAB COc1ncccc1CN1C[C@@H]2C[C@H](CC(=O)N3CCC3)O[C@@H]2C1 96209667 XHBSZYLSYXJDND-ARFHVFGLSA-N 331.416 1.302 0 40 EDAB CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)O 98043884 GYLAFPKEPIVJKM-GHMZBOCLSA-N 346.449 1.708 0 40 EDAB COCCC(=O)N1C[C@@H](C)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96070313 VRTNQYPOHBWCJA-RDTXWAMCSA-N 331.416 1.315 0 40 EDAB O=S(=O)(C1CC1)N1CC2(CCNCC2)C[C@@H]1COCC1CC1 96215376 SBYHVVZBDGXZOR-CQSZACIVSA-N 328.478 1.349 0 40 EDAB O=C(Cc1ccccn1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 96208041 YRLRTQLVTBEPIK-INIZCTEOSA-N 340.427 1.906 0 40 EDAB CCn1cc(S(=O)(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)cn1 585114454 BDUVEQYNDAAMQD-LURJTMIESA-N 339.299 1.344 0 40 EDAB CN(CC1CC1)S(=O)(=O)c1cnn2cc(Br)cnc12 585115834 VKGYCIOUSHLGQF-UHFFFAOYSA-N 345.222 1.522 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)N(Cc1ccccc1)CC(F)F 96432645 ABAYPSOYBIJOEN-UHFFFAOYSA-N 346.399 1.011 0 40 EDAB CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc2nc(O)sc2c1 585115441 ABPGGUZXMYMACW-HQJQHLMTSA-N 348.471 1.393 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ncccn3)C[C@@H]2O1 96041056 XQPYEIOUSLZVBZ-BPUTZDHNSA-N 339.399 1.172 0 40 EDAB CCS(=O)(CC)=NS(=O)(=O)N1CCOc2ccc(F)cc21 585118793 CBQAIOCDGYQLCX-UHFFFAOYSA-N 336.410 1.777 0 40 EDAB O=C(COC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1ccco1)N1CCCC1 96250618 QWFUVKSXAADZAZ-RYQLBKOJSA-N 348.443 1.898 0 40 EDAB CCS(=O)(=O)N1CC[C@@H](OC)[C@@H](Cc2ccc(OC)cc2)C1 96110272 YZSAVDHNINONSY-GOEBONIOSA-N 327.446 1.924 0 40 EDAB CN(C)c1ncccc1CNC(=O)N1CCc2ccccc2[C@@H]1CO 95417093 WJSOOYSQPWFUQA-KRWDZBQOSA-N 340.427 1.949 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)CCc1cc(F)ccc1Br 97372421 FDEOZJNOALMHMF-SECBINFHSA-N 343.196 1.868 0 40 EDAB CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)C[C@@H]1c1nccn1C 330333867 QEBFCTWOAWQNFL-CJNGLKHVSA-N 342.399 1.075 0 40 EDAB CN(C(=O)c1cc(C(F)(F)F)ccc1N)[C@@H]1CCS(=O)(=O)C1 97227487 HTJWRVOHAPHNRK-SECBINFHSA-N 336.335 1.547 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 96485606 OSYKAWZGYCHARN-UHFFFAOYSA-N 341.293 1.431 0 40 EDAB Cc1cccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NCc3ccco3)C2)n1 96253818 RSCUWESSQWJLFV-FGTMMUONSA-N 341.411 1.889 0 40 EDAB CCc1cccc(NC(=O)CN2CCC[C@@](O)(c3cnn[nH]3)C2)c1 585081514 QKXCVJUHQJQMGK-KRWDZBQOSA-N 329.404 1.289 0 40 EDAB COc1nc(C)cc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)n1 585086599 RJCDGTVOFDBQNI-UHFFFAOYSA-N 347.419 1.660 0 40 EDAB COc1cc(N2CC3(CC[C@@H](CN4CCCCC4=O)CO3)C2)ncn1 247877659 HWAWTRZYUXGINT-AWEZNQCLSA-N 346.431 1.483 0 40 EDAB O=C(c1cocn1)N1Cc2cncn2[C@H](COCC2CCOCC2)C1 247866923 PADLWVWWOZURAH-HNNXBMFYSA-N 346.387 1.511 0 40 EDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(Cc2ccccn2)C3)n1 253479272 PNJYZUXOGUTFIS-INIZCTEOSA-N 326.400 1.992 0 40 EDAB COC(C)(C)C(=O)N1CCOC[C@H](Cc2nccn3cccc23)C1 257203772 ARPGLJCFYMBYFN-CQSZACIVSA-N 331.416 1.777 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)cs1 257247415 IYYNPAVRWUARRL-HNNXBMFYSA-N 346.456 1.831 0 40 EDAB C[C@H](CNC(=O)N[C@@H]1CCCc2nn(C)cc21)CC1(C)OCCO1 252496362 PHPZKNVMCOLHLB-GXTWGEPZSA-N 336.436 1.886 0 40 EDAB O=C(c1c[nH]c(O)n1)N1C[C@@H](c2ccccc2)[C@@H]2NCCCC[C@@H]21 257328347 XFFNYFMCVUUYJY-BPUTZDHNSA-N 326.400 1.866 0 40 EDAB Cc1ccc(CC(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)s1 257276444 NTUANAHDGDFUQF-KRWDZBQOSA-N 331.441 1.752 0 40 EDAB CN(C)C(=O)CN1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257219276 DGGNTCRHEQWEHV-HKUYNNGSSA-N 332.444 1.915 0 40 EDAB CC(=O)N1CCC(c2nccnc2CNC(=O)[C@@H]2CCCOC2)CC1 257326782 WYOFHYPUHHRPHI-OAHLLOKOSA-N 346.431 1.245 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2ncncc2C1 592571901 DAEZDUILIGYOKU-YOEHRIQHSA-N 339.395 1.482 0 40 EDAB COc1cc(CNC(=O)[C@](C)(O)Cn2c(C)cccc2=O)ccc1C 279541480 NIZVYPONSDWQDM-LJQANCHMSA-N 344.411 1.541 0 40 EDAB NC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2nccs2)CC1 604392299 CVNPEEFPTLDNJK-UHFFFAOYSA-N 344.440 1.601 0 40 EDAB C[C@@H](CNC(=O)NCc1ccc(N)nc1)N1CCc2ccccc21 1615057344 SGJSYLDXOSNWAK-ZDUSSCGKSA-N 325.416 1.914 0 40 EDAB CNC(=O)CCN(C)S(=O)(=O)c1nc(C)oc1-c1ccccc1 1616036097 NCMYDJXMFWXLDU-UHFFFAOYSA-N 337.401 1.407 0 40 EDAB Cc1cccc(O)c1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 390835729 WINNQCGIUOVFRB-UHFFFAOYSA-N 341.410 1.905 0 40 EDAB CCn1cc(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)cn1 585269296 OKRWLAWRMWTSNC-GOSISDBHSA-N 349.406 1.684 0 40 EDAB CCN1CC[C@]2(CN(C(=O)c3ocnc3C)CC(F)(F)C2)C1=O 585093387 TYRJLUNDRPDRBV-AWEZNQCLSA-N 327.331 1.703 0 40 EDAB O=C(CN1CCN(C(=O)c2ccccc2O)CC1)N1CCCCCC1 71877713 SPAMDEJZLIWAAE-UHFFFAOYSA-N 345.443 1.553 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(Cl)c1 58282926 AKMAASFBIPALEK-NXEZZACHSA-N 347.820 1.925 0 40 EDAB C[C@@H](NC(=O)CNCC1CCN(CCO)CC1)c1cccs1 75602789 MSKOPGIYFAEQBM-CYBMUJFWSA-N 325.478 1.219 0 40 EDAB O=C1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CCN1 40511933 APVYXDTXRFDSHG-UHFFFAOYSA-N 349.188 1.207 0 40 EDAB O=C(O)C[C@H]1CN(C(=O)c2cc(Br)ccc2F)CCO1 91292611 ADTWQVCIPVKCIT-VIFPVBQESA-N 346.152 1.904 0 40 EDAB CN1OC2(CC1=O)CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C2 1549166277 CHVZGNDJNSGPME-UHFFFAOYSA-N 345.277 1.965 0 40 EDAB COC(=O)[C@@H]1CN(c2nc(C)nc(C)c2C)C[C@H]1c1cncn1C 1615615967 ZXJPKVAANUIDFR-ZIAGYGMSSA-N 329.404 1.528 0 40 EDAB CC(C)(C)c1[nH]cnc1C=c1nc(O)/c(=C/c2ccccc2)nc1O 1560410874 UNRCMCRRFYFGFX-FINTXESZSA-N 336.395 1.566 0 40 EDAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@H](C)C(=O)O)CC1)O2 12087118 TVEWRJZYGKEPDB-XIKOKIGWSA-N 346.383 1.342 0 40 EDAB C[C@H](C(=O)N1CCn2c(nnc2C2CC2)C1)n1nnc2ccccc21 12219754 UITRANIMNYPKNU-LLVKDONJSA-N 337.387 1.504 0 40 EDAB CC(=O)/N=c1\sc2nc3ccccc3nc2n1N(C(C)=O)C(C)=O 13122939 LKEZQXUSGJDRKD-NXVVXOECSA-N 343.368 1.124 0 40 EDAB O=C(Nc1nncs1)c1cccc(C(=O)Nc2nncs2)n1 13985712 QWRGXHKRNNOPMI-UHFFFAOYSA-N 333.358 1.289 0 40 EDAB S=c1sc(=S)n(CN2CCOCC2)n1CN1CCOCC1 19596491 ANGCNULMLWZQNU-UHFFFAOYSA-N 348.519 1.389 0 40 EDAB COCC(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19592729 KEMLQOHGFHPSKB-UHFFFAOYSA-N 347.440 1.926 0 40 EDAB CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](CCO)C(C)(C)C)CC2 163499905 XYAMABRTMCOQTD-QWHCGFSZSA-N 337.468 1.813 0 40 EDAB C[C@H]1C[C@@H]1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 4806602 WDWDJKCPLGLIOC-FNWMWBLJSA-N 334.416 1.980 0 40 EDAB COc1ccc(C(C)(C)C(=O)N2CCN(C(C)C)[C@H](C(N)=O)C2)cc1 1848356676 BZACGERYCDMKQW-INIZCTEOSA-N 347.459 1.379 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC2(CC1)OCCO2 24997137 JMBCOXWJYKCBED-UHFFFAOYSA-N 339.413 1.459 0 40 EDAB O=C(c1cc[nH]c1)N1CCC2(CC1)CN(Cc1nccs1)CCO2 949375472 FYLBINUZCDJCOE-UHFFFAOYSA-N 346.456 1.978 0 40 EDAB O=C1CC2(CCN(C(=O)c3csnn3)CC2)CN1CC1CCC1 1565543971 NJBUBAUCCVTIOO-UHFFFAOYSA-N 334.445 1.793 0 40 EDAB Cc1ncnc(C(=O)N2CCc3ncnc(N(C)C)c3CC2)c1C 1565549911 IZXHPAZWCRVZQV-UHFFFAOYSA-N 326.404 1.190 0 40 EDAB CC(C)N1C[C@@H]2[C@H]([C@H]3C[C@H]2CN(C(=O)C2(F)CC2)C3)S1(=O)=O 1565550323 YWJGNJGHOOZGCA-CYDGBPFRSA-N 330.425 1.005 0 40 EDAB CS(=O)(=O)NCc1noc2c1C[C@H](NCCc1ccccc1)CC2 2055729926 DDXRTZBRKWYAQI-CQSZACIVSA-N 349.456 1.413 0 40 EDAB CC(C)CCNC(=O)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055714915 YULPYPJLCCWYCP-ZDUSSCGKSA-N 332.448 1.890 0 40 EDAB CCN(CC)CCN[C@H](CC(=O)Nc1ccc(OC)cc1)C(=O)O 22791733 HBEAXTHRUVAIRB-OAHLLOKOSA-N 337.420 1.408 0 40 EDAB CNC(=O)C(=O)NC[C@@H](c1cccc2ccccc12)N1CCOCC1 23107712 FKQWWXHCASEPIT-KRWDZBQOSA-N 341.411 1.075 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)NCCc2ccccc2)CC1 43980480 BHRYBTOJQLYGRZ-UHFFFAOYSA-N 339.461 1.200 0 40 EDAB CCCc1nnsc1C(=O)N1CCC[C@@H](Oc2ncccn2)C1 575613470 QYMRLZAOWPFEMU-LLVKDONJSA-N 333.417 1.964 0 40 EDAB Cc1cc(C)cc(OCCNC(=O)Cn2nc(C3CC3)ccc2=O)c1 575621618 ZSTTXPPBJPAZFV-UHFFFAOYSA-N 341.411 1.933 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1ccc2cc[nH]c2c1 575615573 FKANLQRSMSYJNS-UHFFFAOYSA-N 333.351 1.703 0 40 EDAB O=C(c1ccc(Br)o1)N1CC(CN2C(=O)CCC2=O)C1 585148992 VFDKJIHBWGCMJQ-UHFFFAOYSA-N 341.161 1.263 0 40 EDAB Cc1cnn(-c2cccc(N3CCN(c4ncc(F)cn4)CC3)n2)c1 2298050222 MFZKGICKVKIQQA-UHFFFAOYSA-N 339.378 1.831 0 40 EDAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1O 361554 CSLZPNHVWCNALW-UHFFFAOYSA-N 346.364 1.566 0 40 EDAB Cn1ncc2c(N3CCN(Cc4cn5ccccc5n4)CC3)ncnc21 40486081 QGAQZXVZPGMLNG-UHFFFAOYSA-N 348.414 1.333 0 40 EDAB O=S(=O)(c1c(F)cccc1F)N1CCN(C[C@H](O)C2CC2)CC1 85467083 IGASNPUSWMBPBX-AWEZNQCLSA-N 346.399 1.042 0 40 EDAB Cc1cccc2c1NC(=O)[C@@]21N[C@H](C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 138716140 DHPOEPXCIQUBMS-CZSWHFQBSA-N 341.411 1.534 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccc3c(c2)OCO3)c1 31338939 XFCVMSBCLMLQFS-AWEZNQCLSA-N 345.351 1.896 0 40 EDAB Cc1cc(C)n2nc(C(=O)Nc3ccc(-n4cc[nH]c4=O)cc3)nc2n1 40555297 NFTMYZHDTRKLJA-UHFFFAOYSA-N 349.354 1.472 0 40 EDAB Cc1ccc(-n2ncc3c(N(CCO)CCO)ncnc32)cc1C 20662124 KNVNABXIAQXNSL-UHFFFAOYSA-N 327.388 1.223 0 40 EDAB CCN1CCN(C(=O)[C@@]2(C)Oc3ccc(Cl)cc3NC2=O)CC1 41550145 OGIOVLLUQMMLPD-INIZCTEOSA-N 337.807 1.594 0 40 EDAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccoc1 53038206 PTHNMBWUKCRACL-UHFFFAOYSA-N 342.804 1.918 0 40 EDAB COc1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)O)c(OC)c1 195705 RZNDDMMGHVEEPI-AWEZNQCLSA-N 348.355 1.868 0 40 EDAB Cc1nc2ncc3c(=O)n(Nc4nc5ccccc5[nH]4)ccc3n2n1 12323876 ZBUMEDSKSQEPBS-UHFFFAOYSA-N 332.327 1.499 0 40 EDAB CCn1nnc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)n1 557818 CMVUUOPGMARMCH-UHFFFAOYSA-N 334.405 1.607 0 40 EDAB Cn1cc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)cn1 61719158 HUVFFCFHHUEOFH-UHFFFAOYSA-N 327.319 1.422 0 40 EDAB CCNC(=O)N1CCN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)CC1 78763347 DRCKBGUQPYMSCU-UHFFFAOYSA-N 347.444 1.934 0 40 EDAB CCCNC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3 4973406 CPNTXJPHCCSVLI-UHFFFAOYSA-N 342.424 1.983 0 40 EDAB OC[C@H]1CCCN(c2cc(N3CCN(CC(F)F)CC3)ncn2)C1 105789013 BIXBVMDWYGITSA-ZDUSSCGKSA-N 341.406 1.072 0 40 EDAB CCCn1cc(CN2CCCN(C(=O)c3cnns3)CC2)cn1 105834261 IGZRZVJLOXAGCO-UHFFFAOYSA-N 334.449 1.493 0 40 EDAB Cc1cccc(N2CCN([C@H]3CC(=O)N(C4CC4)C3=O)CC2)c1C 24529007 ZJDSRTSWQZRRAE-KRWDZBQOSA-N 327.428 1.715 0 40 EDAB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1O 6953789 UNQFZYQTPZULKR-KPKJPENVSA-N 339.307 1.462 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)c1cnn(C)c1C 100141314 VKAYMRPUNMWIIR-WFASDCNBSA-N 336.399 1.982 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H](n2cncn2)C1)N1CCc2ccccc2C1 72277953 VKJKVEARVHFDGN-MAUKXSAKSA-N 339.443 1.888 0 40 EDAB Cc1cc(C)n([C@H]2CCCN(C(=O)CCNc3ncccn3)C2)n1 72235723 IURFTHYZCRFGFZ-HNNXBMFYSA-N 328.420 1.956 0 40 EDAB COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CCN3C)cn1 72296002 KAYPZZQLXRQXMH-UHFFFAOYSA-N 340.383 1.799 0 40 EDAB Cc1cccc(-c2noc(CN3CCN(C[C@H](C)O)[C@@H](C)C3)n2)c1 106868137 WWNOZLYBKSAITL-GJZGRUSLSA-N 330.432 1.932 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@H](C(N)=O)C1 34894758 WFTSVUYJZDDOQU-QWRGUYRKSA-N 341.358 1.812 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 56884943 SUXLGWRGWGPSFK-UONOGXRCSA-N 348.451 1.049 0 40 EDAB COC[C@H](C)NC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 57886871 SBIZPTBHWIOITF-JTQLQIEISA-N 340.811 1.433 0 40 EDAB Cc1cc(C(=O)NCCCN2CCOCC2)c2c(C)nn(C)c2n1 27985226 DFDMEFDQOHJKNO-UHFFFAOYSA-N 331.420 1.037 0 40 EDAB COc1ccc(CNC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 10027962 OJKXFLAJMXUWIC-UHFFFAOYSA-N 333.388 1.422 0 40 EDAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)no2)cc1F 27580150 OUXVAYQPBYABCA-NSHDSACASA-N 338.360 1.706 0 40 EDAB C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1 58161376 GEMKALVWGVAEKZ-GFCCVEGCSA-N 333.413 1.451 0 40 EDAB CCN(CC)C(=O)CNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 58143961 CGWPZZWOJRTVND-OAHLLOKOSA-N 347.415 1.402 0 40 EDAB C[C@@H]1CN(c2ccc(NC(=O)CN3CCC(O)CC3)cc2)C[C@@H](C)O1 58209390 OHFTYMOIWKZIDO-HUUCEWRRSA-N 347.459 1.695 0 40 EDAB CC(C)(C)c1nc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)no1 44937682 OCCCWHJFIJIRLS-CYBMUJFWSA-N 336.436 1.438 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)NCc2cc3ccccc3o2)CC1 44971999 HGFFIMSYRJJZMG-UHFFFAOYSA-N 337.401 1.220 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(C)nn2C)cc1 44915266 WWBGFFUVWGUVEM-UHFFFAOYSA-N 336.417 1.208 0 40 EDAB CN1CCN(C(C)(C)CNC(=O)N2CCc3sccc3C2)CC1 44967795 OEFKOIWJNOTZRZ-UHFFFAOYSA-N 336.505 1.842 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)NC[C@H](c1ccsc1)N(C)C 44954847 NPHCHTPGTPQUQQ-UKRRQHHQSA-N 340.493 1.371 0 40 EDAB Cc1cc2ncn(C[C@H](O)CN(C)Cc3cnn(C)c3)c2cc1C 44974480 KBHAEQAUDZLTNW-MRXNPFEDSA-N 327.432 1.880 0 40 EDAB COc1ncccc1NC(=O)NCc1ccnc(N2CCOCC2)c1 48277455 RZUNCYRJVBSELP-UHFFFAOYSA-N 343.387 1.644 0 40 EDAB COc1ccc(NC(=O)Cc2c(C)nc(N3CCCC3)[nH]c2=O)cn1 58317073 IRZJZAAANIGQQA-UHFFFAOYSA-N 343.387 1.263 0 40 EDAB Cc1ccccc1OCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 58357295 ZMQBEYFNHXDJKJ-INIZCTEOSA-N 345.443 1.315 0 40 EDAB CN(CC(=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ncnc2[nH]cnc12 58428593 FVVIBRSNOBFGPC-CHWSQXEVSA-N 340.362 1.601 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCCc2cccc(F)c2)C1 45132481 NFXPFTCAKURIPD-CQSZACIVSA-N 343.424 1.091 0 40 EDAB O=C1[C@H]2[C@H]3C[C@@H]4[C@H]2C(=O)[C@]2(Br)[C@H]4[C@@H]3[C@@]12Br 104040282 DNSGPKOVZHUEHW-CHOVGGPUSA-N 331.991 1.547 0 40 EDAB C[C@@H]1CCCCN1C(=O)c1cc(OCC(=O)N2CCCC2)n(C)n1 57355315 ZLFHNSSAXSXXCR-CYBMUJFWSA-N 334.420 1.436 0 40 EDAB COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 28277205 DOMVNSOSQITBQB-NWDGAFQWSA-N 336.388 1.208 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 10753599 IGEVPMLFXQMYCL-INIZCTEOSA-N 336.457 1.807 0 40 EDAB CC1(C)[C@@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)[C@H]1C(=O)O 61721227 SNGNUFKTIZWXLW-KGLIPLIRSA-N 346.383 1.454 0 40 EDAB NC(=O)NC(=O)[C@H](c1ccccc1)N1CCO[C@@H](c2ccccc2)C1 29535641 IKKIVJMROFAIFB-SJORKVTESA-N 339.395 1.996 0 40 EDAB Cc1cc([C@@]2(C)NC(=O)N(Cc3cccc(C(N)=O)c3)C2=O)c(C)o1 60346395 YTFGOHPBNIQKFR-GOSISDBHSA-N 341.367 1.963 0 40 EDAB Cc1cccc(OCC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 46422191 ZGLSPZSNKQHWLG-HNNXBMFYSA-N 326.400 1.949 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC[C@@H]1c1ccsc1 52804157 FODOYHCNUFXUAK-UMVBOHGHSA-N 335.473 1.997 0 40 EDAB Cc1ccc(C)c(OCc2nnc(SCC(=O)NC(N)=O)o2)c1 2624199 ABSROXYQNIHQIN-UHFFFAOYSA-N 336.373 1.552 0 40 EDAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC[C@H]3CCCO3)cc2O1 12892113 PDAVNZZRUASYHQ-LLVKDONJSA-N 349.383 1.810 0 40 EDAB biogenic COCCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 8912511 ZLUWKPYWMVDWFX-UHFFFAOYSA-N 329.400 1.889 0 40 EDAB biogenic O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC1CCCCC1 3563594 ZWEMRHFLMJCELT-LJQANCHMSA-N 341.411 1.829 0 40 EDAB COc1ccc2c(c1)CCC[C@]21NC(=O)N(CC(=O)NC(C)C)C1=O 13070022 QVBCMKAFPKGXBS-SFHVURJKSA-N 345.399 1.303 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 13135080 VQDXXXWLBHWUBS-TXEJJXNPSA-N 336.413 1.621 0 40 EDAB CC[C@@H](C)NC(=O)CN1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 13624139 UGASYKQKIINMKP-CZUORRHYSA-N 343.427 1.943 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCOCC2)cc1 4372063 SRHKOHMDTDUQLS-ZDUSSCGKSA-N 338.429 1.287 0 40 EDAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 14093357 JOXVHPDJPHKVLX-JSGCOSHPSA-N 338.429 1.610 0 40 EDAB COc1ccc(Cc2n[nH]c(=S)n2NC(=O)c2cnccn2)cc1 14167926 KALDENCWIRXSTJ-UHFFFAOYSA-N 342.384 1.714 0 40 EDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)Nc1ccccc1 65787778 TWLGADVQGJUHED-CFVMTHIKSA-N 330.384 1.958 0 40 EDAB Cc1cc(C)cc(COCCOCn2c(C)c(C)c(=O)[nH]c2=O)c1 4697974 WOXIITSSJHDUJJ-UHFFFAOYSA-N 332.400 1.961 0 40 EDAB COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 5526872 FHQLWONYESJKJM-UHFFFAOYSA-N 339.303 1.619 0 40 EDAB COc1cccc(CN2CCC[C@H](C(=O)N3CCN(C)CC3)C2)c1 4746146 HEPKHPHLTVGJQL-KRWDZBQOSA-N 331.460 1.681 0 40 EDAB Cc1cc(C)cc(CSc2nnc(CCC(=O)O)c(=O)n2N)c1 5938187 LSSRSTHYBFUGOE-UHFFFAOYSA-N 334.401 1.278 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)CS(=O)(=O)C2CCCC2)cn1 71796747 BUSQCARFVZQTAK-AWEZNQCLSA-N 325.434 1.441 0 40 EDAB CC(C)(C)N1C[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CC1=O 7451196 UAPTUGYYRIQSHC-HNNXBMFYSA-N 329.444 1.982 0 40 EDAB Cn1ccc(CNC(=O)NC2CCN(CCc3ccncc3)CC2)c1 96448370 UNRHHQCEAAILTQ-UHFFFAOYSA-N 341.459 1.926 0 40 EDAB O=C(CNC(=O)NCc1ccco1)NC[C@@H]1C[C@H]1c1ccccc1 96405492 IEWBXKSXAVDQTK-HOCLYGCPSA-N 327.384 1.999 0 40 EDAB CC(=O)N1CCC2(CCc3nnc(C(=O)NC4CCCC4)n32)CC1 306144768 ZNYTVODEIHBNQZ-UHFFFAOYSA-N 331.420 1.234 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccsc2)cc1 7735217 OWEGNKJGSWPDRW-UHFFFAOYSA-N 338.454 1.687 0 40 EDAB CN(C)[C@H](C(=O)N1CCC[C@@H](N2CCNC2=O)C1)c1ccccc1 71841624 XZNGOPLDBVIUMO-CVEARBPZSA-N 330.432 1.306 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 71837337 ZHFUFDHKYNKXLZ-IRXDYDNUSA-N 344.459 1.415 0 40 EDAB CCS(=O)(=O)c1ccc(C(=O)NCCN2CCC[C@H](C)C2)cc1 69006803 IRKHXZIOVHOTQJ-AWEZNQCLSA-N 338.473 1.942 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)C2CCN(CC(C)C)CC2)CC1 71881812 CKEXDJUSJIUMDG-QGZVFWFLSA-N 325.497 1.270 0 40 EDAB COC(=O)c1ccc(COC(=O)c2nc3nc(C)cc(C)n3n2)cc1 8283048 JTURWVLLHIVMBL-UHFFFAOYSA-N 340.339 1.885 0 40 EDAB CCc1nnsc1C(=O)N[C@@H](Cn1cncn1)c1ccccc1 71857447 VCVDPODOXBFFCX-ZDUSSCGKSA-N 328.401 1.863 0 40 EDAB CNC(=O)NC(=O)CCN(C[C@@H](O)c1ccccc1)CC(C)(C)C 70039312 VWCKISJFSADDFA-OAHLLOKOSA-N 335.448 1.914 0 40 EDAB CC(=O)N1CCN(CCNC(=O)CCc2cccc(F)c2F)CC1 69367442 KJTKHUPQGNFHEP-UHFFFAOYSA-N 339.386 1.178 0 40 EDAB O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1)c1ccc(Cl)s1 69482831 GGIFEODQROMHJL-VHSXEESVSA-N 348.877 1.393 0 40 EDAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(S(C)(=O)=O)[nH]1 69557377 LTHYWWIXSZMZAA-ZETCQYMHSA-N 344.780 1.268 0 40 EDAB COCCN(C(=O)CSCc1ccc(Cl)cc1)[C@H](C)C(N)=O 69516944 RHSWHYCSOQABIR-LLVKDONJSA-N 344.864 1.922 0 40 EDAB O=C(CN1CCN(C[C@@H]2CCCO2)CC1)NCCc1ccsc1 71915604 PMJORQHUELSDCK-INIZCTEOSA-N 337.489 1.203 0 40 EDAB NC(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cn1 91766507 VKMVJMDPIUTUEC-ABAIWWIYSA-N 347.321 1.407 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(Br)cn1)[C@@H]1CCCO1 71914118 SYGPNQAQGSQONZ-WPRPVWTQSA-N 335.223 1.690 0 40 EDAB Cc1cc(NC(=O)N2CCN(CCNC(=O)C3CCCC3)CC2)no1 69698728 OBJHQMFKTXPNJF-UHFFFAOYSA-N 349.435 1.439 0 40 EDAB Cc1ccc(-n2nnc(C(=O)N3CC(=O)Nc4cccnc43)c2C)cc1 69633060 LYZHRQSEQUTJGP-UHFFFAOYSA-N 348.366 1.878 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(CC[S@@](=O)c2ccccc2)CC1 69630082 UQOWGLSLEBCAKO-HXOBKFHXSA-N 338.517 1.819 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cncc(-c2cnn(C)c2)c1 69780198 CALCYDFLSCUKCN-HNNXBMFYSA-N 330.388 1.800 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69879827 AUVRMBFKEOXUQC-MRXNPFEDSA-N 342.443 1.922 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 69919778 PMZFYUPLTYALQX-KURKYZTESA-N 332.444 1.332 0 40 EDAB CN(C)CCC1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1 72276164 IEMLADZIPBSYLO-MRXNPFEDSA-N 333.480 1.606 0 40 EDAB COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)C1CCOCC1 95394052 CMSZPXUDEKETBH-UHFFFAOYSA-N 327.327 1.893 0 40 EDAB Cn1nccc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 95448061 KHVVVGUPDKYZRI-GFCCVEGCSA-N 345.378 1.283 0 40 EDAB CCS(=O)(=O)c1ccc2oc(Cn3nnnc3C(C)(C)C)nc2c1 95425883 QYWDQFPGLIWHDB-UHFFFAOYSA-N 349.416 1.954 0 40 EDAB Cn1cc([C@]2(C)CN(S(=O)(=O)c3cccs3)CCO2)cn1 98020255 SZJWHDUPFSKVEQ-ZDUSSCGKSA-N 327.431 1.418 0 40 EDAB COc1c(CNC(=O)NCCc2cn3c(n2)CCCC3)c(C)nn1C 95943027 XFQKNSHOUWHQMB-UHFFFAOYSA-N 346.435 1.312 0 40 EDAB COC(=O)[C@H]1CN(Cc2cnn(Cc3ccccc3)c2)C[C@@H](C)O1 95975546 UUMNMUYRVSMOKS-RHSMWYFYSA-N 329.400 1.694 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNc2ncnc3nccnc23)c1 95973305 CHCNLXPQFXISKQ-LBPRGKRZSA-N 327.344 1.583 0 40 EDAB Cn1nccc1C(=O)Nc1ncc(F)cc1I 95991361 DWWLJOGBIJOXLF-UHFFFAOYSA-N 346.103 1.811 0 40 EDAB CCCCN(C(=O)c1ccc(C)[nH]c1=O)[C@H]1CCS(=O)(=O)C1 75118204 UPORDBIIWBBDPX-LBPRGKRZSA-N 326.418 1.113 0 40 EDAB O=C1NC[C@@H](C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)N1 89783143 KLJHUVKWNNOHJW-ZDUSSCGKSA-N 337.807 1.186 0 40 EDAB CCN(Cc1ccccc1)S(=O)(=O)N1CCN(CC(F)F)CC1 89969285 DNYBKICKNLYPDR-UHFFFAOYSA-N 347.431 1.636 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCC(=O)N1CCCc3ccccc31)CC2 75603570 RXJGBLVLUCJUFQ-HNNXBMFYSA-N 339.443 1.724 0 40 EDAB C[C@@H]1CN(C(=O)COc2ccc(N3CCCC3=O)cc2)C[C@@H]1N(C)C 76050972 JJJOBOSZHUTCBU-PBHICJAKSA-N 345.443 1.601 0 40 EDAB CC(C)OCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 409370936 VNIHEGUYKAVIOQ-GFCCVEGCSA-N 346.424 1.424 0 40 EDAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(c2nc(O)n[nH]2)CC1 552014858 RCAOWOYDZVYNPO-ZDUSSCGKSA-N 348.790 1.873 0 40 EDAB O=C(NC[C@H]1CN(c2ncc(F)cn2)Cc2ccnn21)N1CCCC1 306144289 ZBMUNAHHIBMNFR-AWEZNQCLSA-N 345.382 1.179 0 40 EDAB Nc1nc(CN2CCN(Cc3cscn3)CC2)nc2ccccc12 25029029 CKJZGVQWSMTBAK-UHFFFAOYSA-N 340.456 1.986 0 40 EDAB C[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1nccc(N)n1 1556760537 UMHPHJVZIRMELY-LBPRGKRZSA-N 336.399 1.874 0 40 EDAB COC(=O)c1ccccc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409380123 INEMEMNCWLIEPZ-KOFHJDLBSA-N 331.324 1.456 0 40 EDAB O=C(NC1CC1)c1nnc2n1CC[C@@H]1CN(Cc3cccs3)C[C@H]21 306133885 MYNXUSTZKHWTMX-RISCZKNCSA-N 343.456 1.851 0 40 EDAB COc1cc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc(OC)c1 124463699 ZEZXZZZNNOZHQI-MRXNPFEDSA-N 348.443 1.775 0 40 EDAB CCCS(=O)(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 75019277 AMXIDLKJHJWJBP-UHFFFAOYSA-N 342.436 1.642 0 40 EDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CO)cc1 218098645 ALWJDKVZIBLYRE-IXDOHACOSA-N 333.409 1.325 0 40 EDAB O=C(NCc1cccnc1)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655729 NPWXPRUKKYGHJX-UHFFFAOYSA-N 331.322 1.748 0 40 EDAB CCOc1nnc(CN[C@@H]2CCCN(Cc3noc(C)n3)C2)s1 69653661 DTPFLXQJXWMANY-LLVKDONJSA-N 338.437 1.382 0 40 EDAB CC(=O)NCCNC(=O)C(NC(=O)c1ccccc1)=C(Cl)Cl 32593978 FFPJJAPMJCCWLY-UHFFFAOYSA-N 344.198 1.315 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H]1COc2ccccc2C1=O 128846085 PKPQDYHTXHVIEY-MEDUHNTESA-N 341.411 1.976 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)CN 218204686 LMFHWQNFCAIFMR-TUAOUCFPSA-N 333.251 1.006 0 40 EDAB O=C(O)[C@H]1CC(=O)N(c2cccc(I)c2)C1 34957734 FIAVPOKNFRVWCA-ZETCQYMHSA-N 331.109 1.729 0 40 EDAB COCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3ncccn3)n2)C1 72382505 WSPLGKCIHOZZRA-GFCCVEGCSA-N 328.376 1.281 0 40 EDAB C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)C(C)(C)S(C)(=O)=O 79044990 UPKJEXWVUKQGCG-LBPRGKRZSA-N 326.462 1.623 0 40 EDAB NC(=O)[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2F)c2ccccc21 69705152 MQOMNVCPBYRJHD-LLVKDONJSA-N 338.335 1.743 0 40 EDAB C[C@@H]1CC[C@@H](CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)O1 190307679 ODTNPXBUWYWMEA-WBVHZDCISA-N 338.473 1.702 0 40 EDAB Cn1nnnc1SCC(=O)NCc1ccc(F)cc1C(F)(F)F 80069151 VDDQYYZJMAJUDS-UHFFFAOYSA-N 349.313 1.777 0 40 EDAB O=C(CSc1nnc2ccccn12)N1CCCC[C@]2(CCNC2)C1 1580565448 AQYSSHMKOBZAGS-QGZVFWFLSA-N 345.472 1.814 0 40 EDAB Cc1cnn(CCC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1 81463051 DPPSJZIJIOTXAB-UHFFFAOYSA-N 346.353 1.499 0 40 EDAB O=C(Cc1ccccc1-c1nn2cnnc2s1)N1CCOCC1 41126854 HUTRXJSPDWNIFP-UHFFFAOYSA-N 329.385 1.254 0 40 EDAB O=C1[C@H](NC(=O)C2(C(=O)O)CC2)CCN1c1ccc(F)c(Cl)c1 191650391 WKIIEPUMCIMSIB-LLVKDONJSA-N 340.738 1.565 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3nccs3)C[C@H]21 96043300 ODWHAOJWRAVAOF-QLFBSQMISA-N 335.473 1.896 0 40 EDAB CC(C)Nc1ncnc2c1CCN(C(=O)Cc1ccccn1)CC2 96255521 CAYQCTJVMKTVPO-UHFFFAOYSA-N 325.416 1.862 0 40 EDAB COc1ccc([C@H]2CCCN2CCNC(=O)c2ccc(O)nn2)cc1 90608689 ULHUERHNOCTJEU-MRXNPFEDSA-N 342.399 1.758 0 40 EDAB Cc1ccnc(N2CCN(C(=O)c3cnc4nc(C)[nH]c4c3)CC2)c1 97373092 JGEFDNISBFMOGA-UHFFFAOYSA-N 336.399 1.932 0 40 EDAB Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)s1 96344963 DZKHMJWPDFQIQL-SECBINFHSA-N 342.384 1.714 0 40 EDAB CN(C)C(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 96049263 MKUWCHVTUMFWPD-SJKOYZFVSA-N 331.372 1.747 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(N3CCC(C)CC3)nc2)CC1 96403507 LNMSJIVDRWGVLL-UHFFFAOYSA-N 330.432 1.622 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(=Cc2ccccc2)CC1 96454730 VLQSJLPILVTHOO-UHFFFAOYSA-N 325.368 1.243 0 40 EDAB CNS(=O)(=O)c1ccccc1CNC1CCN(CC(C)C)CC1 96477232 RNVRRKHNXDOWRX-UHFFFAOYSA-N 339.505 1.805 0 40 EDAB Cc1ncsc1CN1C[C@H]2OC[C@@H](CC(=O)N3CCCO3)[C@H]2C1 96219557 QWMAQGZJOVUPDQ-MGPQQGTHSA-N 337.445 1.452 0 40 EDAB O[C@@]1(c2cnn[nH]2)CCCN(Cc2nccn2CC(F)(F)F)C1 583617414 IZLIOKILGAZOBL-LBPRGKRZSA-N 330.314 1.047 0 40 EDAB Cc1cccc(Cn2c3c(ccc2=O)C[C@@H](N[C@@H]2CCOC2)CC3)n1 96196620 RFOROBVGOFLRRO-FUHWJXTLSA-N 339.439 1.836 0 40 EDAB O=C(c1ccncc1C(F)(F)F)N1CC[C@H]2OCC(O)=N[C@H]2C1 330033042 VTJFPMMTVHGBBE-WDEREUQCSA-N 329.278 1.670 0 40 EDAB CC(C)OC(=O)[C@H]1[C@H](c2cccc(O)c2)c2c(O)n[nH]c2C[C@@]1(C)O 95101355 DNCJJLVEVNKBAQ-DDUZABMNSA-N 346.383 1.828 0 40 EDAB CCCS(=O)(=O)N1CCc2ncc(CNc3ccccn3)n2CC1 96197131 QHZXHMRRAOPIGZ-UHFFFAOYSA-N 349.460 1.488 0 40 EDAB CCCN1Cc2nccn2C[C@@H](CNS(=O)(=O)c2ccccc2)C1 96188687 XSBBVWVQWKPOBF-HNNXBMFYSA-N 348.472 1.703 0 40 EDAB O=C(NCC[C@@H]1CCOC12CN(c1ncccn1)C2)c1ccncc1 247461715 BBMYTLARDXUYHX-OAHLLOKOSA-N 339.399 1.287 0 40 EDAB NC(=O)c1ccc(C(=O)NC2(c3nnc4n3CCCC4)CCC2)cc1 585087523 DJVINYYAVRNJME-UHFFFAOYSA-N 339.399 1.523 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CCN1 257214535 CMJKQUFWITWPMH-MRXNPFEDSA-N 325.368 1.378 0 40 EDAB CCS[C@@H]1CCC[C@@H]1NC(=O)COCc1ocnc1C(=O)OC 585123502 BKMNMXDYKGHODL-CMPLNLGQSA-N 342.417 1.768 0 40 EDAB CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)Nc1cc[nH]n1 585114111 UHDXRMAHYOPOLC-LBPRGKRZSA-N 336.392 1.764 0 40 EDAB Cc1ncc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)cn1 257340412 ZFYMMGMDFIJZSL-OAHLLOKOSA-N 327.388 1.460 0 40 EDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)CCc1nc(C(C)C)no1 257299731 RRHLOMQUNVVMTL-LBPRGKRZSA-N 333.392 1.757 0 40 EDAB CCC(=O)N1CCC[C@@H](c2ccnc3c(C(=O)N(C)C)cnn23)C1 257270551 MURYAJQDNADWBI-GFCCVEGCSA-N 329.404 1.547 0 40 EDAB CC(C)n1nccc1CN1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 257321114 WADKFQJTWUUGJX-IRXDYDNUSA-N 348.447 1.055 0 40 EDAB Cc1ccc(CC(=O)NC[C@@]2(O)CCN(c3cnccn3)C2)s1 257311900 ULMOKEQUJVALCD-INIZCTEOSA-N 332.429 1.147 0 40 EDAB CCc1nccn1CCC(=O)N1CCO[C@@H](c2nc(C)cc(O)n2)C1 257265940 MAYYNISXGVHHMR-CYBMUJFWSA-N 345.403 1.240 0 40 EDAB CNc1nc([C@@H]2CCCN2)nc2c1CN(C(=O)C(F)(F)F)CC2 257199989 ABOBYGVAIMNPQT-JTQLQIEISA-N 329.326 1.390 0 40 EDAB Cc1ncc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C(=O)O)n1C 630447177 PSEHIZPFQNEQCV-CQSZACIVSA-N 335.385 1.101 0 40 EDAB Cc1cccc(C(=O)N2CCCN(C(=O)[C@H]3CNC[C@@H]3C)CC2)c1 1615182358 KEZUTOKPERMXFW-RDJZCZTQSA-N 329.444 1.525 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N2CC(=O)N(CC(F)(F)F)C2)c1 390834445 YXZNFQXPLKHRJP-UHFFFAOYSA-N 340.298 1.487 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](CNC(=O)c2cscn2)C1 575406237 MRZYDLYLFWQJGU-WXHSDQCUSA-N 345.428 1.309 0 40 EDAB CO[C@H](CNS(=O)(=O)c1cnn(C)c1)c1cc2ccccc2o1 669933120 KVYSIILXEFVOSD-OAHLLOKOSA-N 335.385 1.832 0 40 EDAB O=S1(=O)CC[C@H](COc2ncccn2)C12CN(Cc1ccco1)C2 585102881 GHOVOPAYOVZUJJ-CYBMUJFWSA-N 349.412 1.138 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)c1c(F)cccc1Cl 585277268 HHZXIMBTDKIZAS-HNNXBMFYSA-N 328.771 1.976 0 40 EDAB O=C(c1cc(C2CC2)on1)N1CC(F)(F)C[C@@]2(CCNC2=O)C1 585093149 FLRPAPLRZJGNPH-AWEZNQCLSA-N 325.315 1.540 0 40 EDAB O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(C(=O)c3ccnc(F)c3)C[C@@H]2O1 585108689 ZYYAXVCYUFEQMF-BPNCWPANSA-N 333.363 1.119 0 40 EDAB COC(=O)c1ccc(F)cc1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C 65622566 MAGFWRXEKJNKKI-NXEZZACHSA-N 331.365 1.410 0 40 EDAB Cn1cc(-c2nc(CN3CCO[C@@H](Cn4cccn4)C3)cs2)cn1 69376533 RGPQTCWYIPWIKA-OAHLLOKOSA-N 344.444 1.641 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 70040948 PEDBNEBCRKTHEL-CYBMUJFWSA-N 326.824 1.634 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 72234054 JZZQVNXVSPPNRM-UKRRQHHQSA-N 330.432 1.711 0 40 EDAB Cc1cnc(CCNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CN)C2)nc1 952965123 YYLIFJPZROTGQW-RYUDHWBXSA-N 345.369 1.496 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC[C@H](COc2ncc(C)cn2)C1 1775995740 GVTKCECVGBZBAK-ZDUSSCGKSA-N 345.403 1.458 0 40 EDAB Cc1nn(C)c(Oc2ccccc2)c1CN[C@@H]1CCS(=O)(=O)C1 58314910 BMHYOYDXACQQDN-CYBMUJFWSA-N 335.429 1.798 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCCN([C@H]2CCSC2)CC1 1565522254 LTNLDTVDNBLSFY-ZDUSSCGKSA-N 345.490 1.493 0 40 EDAB COC(=O)[C@H]1CSC[C@@H](c2ccccc2)N1CC(=O)NC(C)C 76017759 RENKLKZGYWCDFM-LSDHHAIUSA-N 336.457 1.843 0 40 EDAB CN(C)c1cc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)ccn1 40512734 CAUCPINVPFSJKU-UHFFFAOYSA-N 349.412 1.397 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@H]1Cn1nccn1 675007595 SGQFUKLIJHFZJS-ZDUSSCGKSA-N 334.401 1.066 0 40 EDAB CCNC(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1 96376401 WPYKZLVADKWUEO-UHFFFAOYSA-N 326.418 1.663 0 40 EDAB O=C(NCCc1nc(-c2cccnc2)n[nH]1)c1ccc2nc[nH]c2c1 12115811 KMFYQLMTNPZNHS-UHFFFAOYSA-N 333.355 1.716 0 40 EDAB COc1cccc(CNC(=O)C[C@H]2CSc3ncc(C)c(=O)n32)c1 12236632 VUAYMJLNRGOMAL-ZDUSSCGKSA-N 345.424 1.914 0 40 EDAB CC1CCN(CCNC(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1 19496915 JUGUHRPEVQHWMQ-UHFFFAOYSA-N 343.427 1.802 0 40 EDAB Cc1ncc(C(=O)N2CCO[C@H](C(=O)N3CCCCCC3)C2)c(C)n1 19747380 ZNIRARDPDRIQLD-INIZCTEOSA-N 346.431 1.337 0 40 EDAB COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 244933218 CHTLFNRQIKAXJC-DYEKYZERSA-N 327.402 1.310 0 40 EDAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@H]3C2)nn1 1888870005 NYKOITFYOJBOKN-VXGBXAGGSA-N 341.419 1.101 0 40 EDAB Cc1sc2ncnc(N3CCO[C@H](C(=O)NC4CC4)C3)c2c1C 1889085204 BIYHLQDRRQAHQN-LBPRGKRZSA-N 332.429 1.792 0 40 EDAB COc1ccc(CCN2CCN(c3cc(N(C)C)ncn3)CC2)cc1 1889128407 CTVUWKQXURAPEU-UHFFFAOYSA-N 341.459 1.916 0 40 EDAB CCN=c1ccnc(N2CCN(Cc3cc(F)cc(F)c3)CC2)[nH]1 1889130260 HZAIIPOJLIOKHY-UHFFFAOYSA-N 333.386 1.931 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)c2ccccc2)C1=O 23640754 CTUBUDOEPIKASC-LBPRGKRZSA-N 346.383 1.912 0 40 EDAB O=C(NCCn1ccc2ccoc2c1=O)c1ccc2nccnc2c1 238887332 QFBRLXGRJZLCEF-UHFFFAOYSA-N 334.335 1.968 0 40 EDAB Cc1cc(C)n(CCNC(=O)c2ccc(OC3CCOCC3)nc2)n1 240104265 UNVHOTNZGAWLLQ-UHFFFAOYSA-N 344.415 1.883 0 40 EDAB COc1ccc(Cl)cc1C(=O)NC[C@]1(OCCO)CCSC1 1565520339 NXPCOSSWZJGIPF-OAHLLOKOSA-N 345.848 1.963 0 40 EDAB CC(C)Cn1c(CN2CCC[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 245729 LPDSMXPXEHVQQK-ZDUSSCGKSA-N 347.463 1.322 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)cc1F 9822644 AGDDPCVIRMYWKY-CYBMUJFWSA-N 338.335 1.570 0 40 EDAB Cc1csc(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)c1 2055713888 VSQCHGIXFXPAPL-UHFFFAOYSA-N 342.428 1.591 0 40 EDAB Cn1cc(CN[C@@H]2CCc3onc(C(=O)NC4CCCC4)c3C2)cn1 2055746149 RMPCKJGHRSEYGV-CQSZACIVSA-N 343.431 1.728 0 40 EDAB CN(C)c1nc(CNC(=O)/C=C/c2ccco2)nc(N2CCCC2)n1 575605808 FUOSESHXHIHNCS-BQYQJAHWSA-N 342.403 1.460 0 40 EDAB CCc1nn2c(=O)cc(CNc3ccccc3C(=O)NC)nc2s1 31070744 ODKJCASAGOAFJH-UHFFFAOYSA-N 343.412 1.685 0 40 EDAB COCCOc1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cn1 31237949 NORYFYVILBSGCR-OAHLLOKOSA-N 342.351 1.827 0 40 EDAB CNC(=O)NC(=O)CNc1cccc(S(=O)(=O)C2CCCC2)c1 40511210 AGLZQGAWMPDFLW-UHFFFAOYSA-N 339.417 1.270 0 40 EDAB Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1 40513450 FIJJHHVBGNSHDR-JTQLQIEISA-N 342.371 1.662 0 40 EDAB CCOc1ccc(CN2CCN(C(=O)c3ccc[nH]c3=O)CC2)cc1 21476566 NODJOHCCAWOFTG-UHFFFAOYSA-N 341.411 1.732 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N(C)CC(=O)NC3CC3)c12 32806590 DRRFZKVLTIVHQH-UHFFFAOYSA-N 328.372 1.759 0 40 EDAB Cc1cccnc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 21893494 BSEJWFHYORKSKL-UHFFFAOYSA-N 330.388 1.925 0 40 EDAB CCn1ncc(CN2CCN(C(=S)NCCCOC)CC2)c1C 22247894 UGSUCCJZYXFZPF-UHFFFAOYSA-N 339.509 1.240 0 40 EDAB C[C@@H]1[C@@H](NC(=O)NC(=O)COC(=O)c2cnn(C)c2)CCC[C@H]1C 103437526 FZUPFTKOSGBPME-MDZLAQPJSA-N 336.392 1.227 0 40 EDAB CCN1CCN(c2ccccc2CN[C@@H]2CCN(C(=O)OC)C2)CC1 88735331 JXYCRSDKLRVIQT-QGZVFWFLSA-N 346.475 1.759 0 40 EDAB COc1ccccc1CN(C)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 42298040 ABROCJIJDRWYTB-HIFRSBDPSA-N 333.432 1.239 0 40 EDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CCCS(=O)(=O)c1ccccc1 84558646 YSRAVHIFLFPJJP-GASCZTMLSA-N 333.409 1.802 0 40 EDAB CCC1(C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)COC1 79069638 GCNQGSVLXMREOC-INIZCTEOSA-N 331.460 1.740 0 40 EDAB Cc1cc(C)n(CCN2CCN(C(=O)Cc3cccs3)CC2)n1 62022060 AQCNHJRBIRUBMY-UHFFFAOYSA-N 332.473 1.948 0 40 EDAB Cc1ccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)c(C)c1 6964519 YCPMHILMGXQEII-UHFFFAOYSA-N 347.440 1.781 0 40 EDAB Cn1cncc1CN1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108525952 KZLWQTDJECACNA-ROUUACIJSA-N 327.432 1.290 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24538952 YGUAKGYLOVDGBJ-DGCLKSJQSA-N 332.356 1.063 0 40 EDAB O=C(O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1 12541611 IMYJEHZTBRPBMQ-UHFFFAOYSA-N 327.339 1.945 0 40 EDAB CCOC(=O)[C@@H](OC(=O)[C@@H]1CCCN(C(=O)CC)C1)c1cccnc1 89941661 GJPPYMAKXORGEZ-ZBFHGGJFSA-N 348.399 1.878 0 40 EDAB COC(=O)[C@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 8341547 FJOXTAFFNHSQTE-NSHDSACASA-N 344.367 1.841 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCc1cccc(Cl)c1 25920793 HTUHORDDUFTNFJ-CQSZACIVSA-N 344.864 1.813 0 40 EDAB CC(=O)N1CCC(NC(=O)N(C)Cc2ccc3c(c2)OCCO3)CC1 43879683 IEMNQFOJLACLQS-UHFFFAOYSA-N 347.415 1.610 0 40 EDAB COc1ccccc1C(=O)N1CCN(c2cccc(C(=O)O)n2)CC1 107854881 YAINBMVAHSGMEB-UHFFFAOYSA-N 341.367 1.751 0 40 EDAB CN(C)c1ncc(CNC(=O)c2ccc(N3CC=CC3)cc2)n1C 102703009 WIAIZGWYZGWNOA-UHFFFAOYSA-N 325.416 1.792 0 40 EDAB COCCN(Cc1ccccn1)C(=O)NCc1c(C)cc(C)[nH]c1=O 75121324 UVVUZJKFENQESS-UHFFFAOYSA-N 344.415 1.745 0 40 EDAB CCOC(=O)Cc1cs/c(=N\c2ccccc2)n1N1CCOCC1 22762614 LWAOZSUUHVBVQH-ZCXUNETKSA-N 347.440 1.856 0 40 EDAB COc1ccc(OC[C@H](O)CN2CCN(c3cnccn3)CC2)cc1 27635542 DSCZBSIVGBQTKT-OAHLLOKOSA-N 344.415 1.047 0 40 EDAB Cc1cc(NC(=O)CCCOc2ccc(S(C)(=O)=O)cc2)[nH]n1 58265794 XEYGOTPEUGTDRI-UHFFFAOYSA-N 337.401 1.919 0 40 EDAB C[C@@H]1CN(CCNC(=O)COCCOc2ccccc2)C[C@@H](C)O1 48290056 MXKNMFALKOHDKR-HZPDHXFCSA-N 336.432 1.307 0 40 EDAB Cn1cc(C(=O)NC2CCN(CC(F)F)CC2)c(C(F)(F)F)n1 58432134 BHFVYVVWUXETFP-UHFFFAOYSA-N 340.296 1.898 0 40 EDAB CC(=O)N1C(=O)[C@]2(NC(N)=Nc3nc4ccccc4n32)c2ccccc21 22248309 ARGXXTYPCXGXFA-SFHVURJKSA-N 346.350 1.180 0 40 EDAB CN(C)CCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 57355065 LOYNMEURONHTEA-YOEHRIQHSA-N 335.423 1.803 0 40 EDAB CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H]3CCOC3)cc2C[C@H]1C 48363450 IUBUVYGOJLOBIK-YPMHNXCESA-N 338.429 1.299 0 40 EDAB CC1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)CC1 29596139 ZIQAPIRLKGTMIF-UHFFFAOYSA-N 328.372 1.292 0 40 EDAB COCCN1CCCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1 75572890 SNLKAOZFFNOMAO-UHFFFAOYSA-N 348.443 1.839 0 40 EDAB COc1ncccc1CNC(=O)[C@H]1CCCN(c2cnccn2)C1 29957551 ULUTUWARXTWABL-AWEZNQCLSA-N 327.388 1.413 0 40 EDAB N[C@H](CS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)O 100856063 UXFZWPXGWNQYML-ZJUUUORDSA-N 328.777 1.117 0 40 EDAB Cc1cccc2nc(CN3CCC(N4CCN(C)C4=O)CC3)cn12 75604171 WFPCEEAXTILHDO-UHFFFAOYSA-N 327.432 1.975 0 40 EDAB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1ccn(C)n1)CCC3 2777538 JPQVJIFQYWWPQC-UHFFFAOYSA-N 329.385 1.373 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 46864579 IGEZHILNLUZZTC-CQSZACIVSA-N 332.400 1.145 0 40 EDAB COc1ccccc1/C=c1\s/c(=C\C(=O)c2ccco2)[nH]c1=O 13138224 LCGSOIQTRYTGDD-VULZFCBJSA-N 327.361 1.530 0 40 EDAB COc1cccc(/C=C/C(=O)N2CCC(CC(N)=O)CC2)c1OC 49392358 MVLDSPKHSKKXLU-VOTSOKGWSA-N 332.400 1.831 0 40 EDAB Cn1cc(CNS(=O)(=O)c2ccc(OCC(F)F)cc2)cn1 96009878 OACLLCCSCNMQQY-UHFFFAOYSA-N 331.344 1.543 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCc1nc(-c2ccccc2)no1 65458617 LLKJQOHGIJODQK-OCCSQVGLSA-N 342.399 1.782 0 40 EDAB CN(C(=O)COc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 14083183 ZKKVBHPKUQQEEZ-JTQLQIEISA-N 335.784 1.503 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 93531575 CCMSPKYGZYEDFL-LLVKDONJSA-N 340.342 1.968 0 40 EDAB Cc1cccc(CS(=O)(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1 95457691 ZMACVTDBDZVUEI-JKSUJKDBSA-N 325.430 1.753 0 40 EDAB Cn1cnc(S(=O)(=O)Nc2cc(C(=O)O)cc(C(F)(F)F)c2)c1 65553916 SYHNIONMPJEGQM-UHFFFAOYSA-N 349.290 1.938 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)CCc1ccc3c(c1)OCO3)CC2 65578025 PAWBZBTYXAQFTP-CYBMUJFWSA-N 328.372 1.379 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccccc1Cl 14408486 MMMPGRYHJXBIGI-VIFPVBQESA-N 335.791 1.835 0 40 EDAB CN1C(=O)C2(Cc3ccccc3N3CCC[C@H]32)C(=O)N(C)C1=S 6671780 QJCNBOOKVSRSML-ZDUSSCGKSA-N 329.425 1.413 0 40 EDAB CC(C)Oc1ccc(F)cc1NC(=O)N[C@H]1CCS(=O)(=O)C1 67296878 QGZNSMFTCDLHNM-NSHDSACASA-N 330.381 1.922 0 40 EDAB COc1ccc(-c2noc(-c3cccn4c(=O)[nH]nc34)n2)cc1OC 67240381 BUMKJMUIZFFTEB-UHFFFAOYSA-N 339.311 1.757 0 40 EDAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc(C)n2N)n1 5993164 WQQUDWOXCASVEW-UHFFFAOYSA-N 343.420 1.412 0 40 EDAB CC(C)Cc1noc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)n1 95428249 VHRFDVFLCDSYKR-BBRMVZONSA-N 333.436 1.947 0 40 EDAB CC(C)(C)C(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 7560317 BKKGCPJABZLXDN-GOSISDBHSA-N 346.383 1.884 0 40 EDAB COc1cc(C[C@@H]2NS(=O)(=O)c3ccccc3[C@H]2O)ccc1O 9576235 HZJAOOQVUXJFHN-BLLLJJGKSA-N 335.381 1.337 0 40 EDAB CN(CCOc1ccccc1)C(=O)NCC(C)(C)NS(C)(=O)=O 69151351 LCUOQNYQDRCUBE-UHFFFAOYSA-N 343.449 1.035 0 40 EDAB Cc1nn(C)c(Cl)c1S(=O)(=O)NCCc1nncn1C(C)C 70040606 MGKYBRVHQIFQMS-UHFFFAOYSA-N 346.844 1.075 0 40 EDAB O=C(CNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccc2ccccc12 69322839 PKAJTTWVFGGPLX-ZDUSSCGKSA-N 346.408 1.329 0 40 EDAB COc1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 17011641 LKDFGHBYCPGQQN-CYBMUJFWSA-N 349.412 1.812 0 40 EDAB Cc1cnn(C[C@H]2CN(CC(=O)Nc3ccc(Cl)cn3)CCO2)c1 69445580 DVKAVSKWWWXZJO-CQSZACIVSA-N 349.822 1.579 0 40 EDAB Cn1ccnc1CN1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 69443421 AAOMNJQAASOAOL-INIZCTEOSA-N 336.386 1.550 0 40 EDAB O=C(CN1CCc2cncnc2C1)N1CCN(c2ccccc2)CC1 69484824 IUFYDGLTVFCDLX-UHFFFAOYSA-N 337.427 1.184 0 40 EDAB O=C(/C=C/c1cnccn1)NCC1(N2CCOCC2)CCCCC1 71819330 DYSCCRLLCVTWBO-SNAWJCMRSA-N 330.432 1.641 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(Cc3ccsc3)CC2)cn1 71841297 PUGDQHYDVGJKQH-CVEARBPZSA-N 330.457 1.930 0 40 EDAB Cc1noc(COCC(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)n1 73205350 PZIIOYKUWQTNCB-LBPRGKRZSA-N 341.371 1.958 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)c1ncc(S(N)(=O)=O)s1 69564170 SIGJMNHCHKZLPI-UHFFFAOYSA-N 341.414 1.198 0 40 EDAB O=C(CN1CCc2ccccc21)N1CCN(Cc2ccccn2)CC1 71821799 HNZGQZMISGGOKV-UHFFFAOYSA-N 336.439 1.789 0 40 EDAB COc1ncccc1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 71858720 MCUOZIWIKFKKNA-UHFFFAOYSA-N 327.319 1.944 0 40 EDAB CCc1ccc(-c2noc(CN3CCN(CCOC)C(=O)C3)n2)cc1 91834853 RZBIXRSUWUOBLM-UHFFFAOYSA-N 344.415 1.590 0 40 EDAB C[C@H]1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC(C)(C)O1 71897940 OVWLTAXXHMQMEN-LBPRGKRZSA-N 342.399 1.611 0 40 EDAB C[C@H](C(=O)Nc1ncccn1)N(C)C[C@@H]1CCCN1c1cccnn1 71860003 MXBFCAHPPJDZAR-KGLIPLIRSA-N 341.419 1.194 0 40 EDAB CC(C)(C)N1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 71818502 HDOSQWDQDSLPSA-UHFFFAOYSA-N 328.416 1.339 0 40 EDAB Cc1nc(C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)cs1 71898263 OBPOGHKWLONRPK-GFCCVEGCSA-N 325.459 1.632 0 40 EDAB NC(=O)[C@@H](CNC(=O)COc1ccc(F)cc1)Cc1ccc(F)cc1 71841561 ODWAFRRWDNQCGX-CYBMUJFWSA-N 348.349 1.804 0 40 EDAB Cc1ccc(-n2nnc(C(=O)N3CCNC(=O)CC3)c2C(C)C)cc1 71839495 QHEJKECECZLUMS-UHFFFAOYSA-N 341.415 1.661 0 40 EDAB O=C(NC1CCN(CCc2ccncc2)CC1)N1CCSCC1 69706351 BWNHBJSUUDFYSM-UHFFFAOYSA-N 334.489 1.847 0 40 EDAB CCn1cc([C@@H]2OCC[C@H]2CNCc2cccc(C(N)=O)c2)cn1 83843521 OORVZTJROWLMLV-DOTOQJQBSA-N 328.416 1.869 0 40 EDAB CN1CCN([C@H](C(=O)NCc2cnn(C)c2)c2ccccc2)CC1 69807814 XHSHWHASFLTGML-KRWDZBQOSA-N 327.432 1.025 0 40 EDAB CCc1[nH]c(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c(C)c1C(=O)OC 69876513 ZYESZBCZOYWFRE-CYBMUJFWSA-N 349.431 1.265 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc3ccccc3n2)CC1 69894501 XJNPQRGDHYOTRJ-INIZCTEOSA-N 343.427 1.390 0 40 EDAB O=c1c2nnn(-c3ccccc3)c2ncn1Cc1nnsc1Cl 69813868 CLWSTRCELZAZNH-UHFFFAOYSA-N 345.775 1.530 0 40 EDAB O=C(CN1CCC[C@@H]1[C@H](O)C(F)(F)F)NCCc1ccc(F)cc1 69892885 HCSXLHYLCZYXFQ-HIFRSBDPSA-N 348.340 1.872 0 40 EDAB CCO[C@H](C)C(=O)Nc1n[nH]cc1C(=O)NCc1ccc(OC)cc1 69951686 DGTZBZFLMZCMFH-LLVKDONJSA-N 346.387 1.712 0 40 EDAB Cc1ccc2oc(=O)n(CCC(=O)N3CCn4cncc4C3)c2c1 72133150 FXCZOGHDJCJQST-UHFFFAOYSA-N 326.356 1.532 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)nc1)C1CC1 97082750 ZYVFYBKDLSCGKY-LLVKDONJSA-N 337.367 1.719 0 40 EDAB CCc1cnccc1C(=O)N1CCN([C@@H](C)C(=O)NC(C)C)CC1 97034965 JIOURJRNDBKATB-AWEZNQCLSA-N 332.448 1.315 0 40 EDAB Cc1cc(C(N)=O)c(NC(=O)c2cnn(-c3ccccc3)n2)s1 72285444 ABHZILHDUXSNAQ-UHFFFAOYSA-N 327.369 1.988 0 40 EDAB O=C1NC(=O)[C@]2(CCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)C2)N1 72290683 BLNXSKYUBHRQRG-MQIPJXDCSA-N 333.775 1.254 0 40 EDAB Cc1nc(C(=O)N2CCCN(c3ncccn3)CC2)c2n1CCCC2 84271777 AHYFAEYSGICALE-UHFFFAOYSA-N 340.431 1.670 0 40 EDAB COc1ccc(C)cc1CN[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C 72300528 CUDXWXWPIJCNRF-DZGCQCFKSA-N 326.462 1.763 0 40 EDAB COc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C(N)=O)cc1OC 72314087 SMHXMWLWNZZELE-OLZOCXBDSA-N 335.404 1.547 0 40 EDAB COc1cccc(CNC(=O)CN2CCC(c3cnn(C)c3)CC2)c1 97203629 LNJSGBBTACHKKI-UHFFFAOYSA-N 342.443 1.925 0 40 EDAB Cn1cc([C@H]2OCC[C@H]2CNCc2ccc(OCC(N)=O)cc2)cn1 84317491 VBWHEWIMKDVSIV-KSSFIOAISA-N 344.415 1.152 0 40 EDAB CC(C)(CO)NC(=O)Nc1nc2ccc(Br)cn2n1 95940277 LOGZAMZIXACTHQ-UHFFFAOYSA-N 328.170 1.384 0 40 EDAB COc1cc2c(cc1OC)-c1c(c(C(=O)NCCN(C)C)nn1C)C2 31813396 ONHUFVXICGEENL-UHFFFAOYSA-N 344.415 1.300 0 40 EDAB Cn1cnc([C@@H]2CN(C(=O)NCC3(C4CCC4)CCC3)C[C@H]2N)c1 1553490833 TVANFFMTLDAZRM-HUUCEWRRSA-N 331.464 1.827 0 40 EDAB O=C(CN1CCC[C@H](c2ccn[nH]2)C1)NCc1ccc2c(c1)OCO2 72270594 FQDHXFGJDVYBLP-AWEZNQCLSA-N 342.399 1.634 0 40 EDAB COCCCS(=O)(=O)NCc1cnn(-c2ccc(F)cc2F)c1 78923459 MXPKMXQVUBFURY-UHFFFAOYSA-N 345.371 1.606 0 40 EDAB CCCOCc1ccccc1CNC(=O)N[C@@H]1CCS(=O)(=O)C1 42871308 ANCXRCCKJJJNDC-OAHLLOKOSA-N 340.445 1.600 0 40 EDAB O=S(=O)(NCCc1ncc2ccccn12)c1ccc2c(c1)OCO2 31773175 JMRPHHLEWQGJQP-UHFFFAOYSA-N 345.380 1.584 0 40 EDAB CC(C)Nc1cnc(C[C@H]2CCCN(S(C)(=O)=O)CC2)cn1 72364963 VPFXQUDSYGGKMT-ZDUSSCGKSA-N 326.466 1.901 0 40 EDAB Cc1nnnn1-c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 71280006 MOFGAINTIGWLTR-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB COCCN1CCCN(C(=O)[C@@H]2COc3cc(OC)ccc3C2)CC1 79321258 ZFJGMUBKMYLFJK-INIZCTEOSA-N 348.443 1.427 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@]2(CC(=O)O)CCOC2)cc1Cl 566118577 XPCMTURGCXFACU-ZDUSSCGKSA-N 333.793 1.561 0 40 EDAB C[C@H](N)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 77270698 ASHMKWFZVCYOSU-QWRGUYRKSA-N 330.425 1.282 0 40 EDAB in-vitro CCN(C(=O)c1cnn(C(C)(C)C)c1)[C@H](C)CS(=O)(=O)CC 79052284 DIHUWAWELMMDAS-GFCCVEGCSA-N 329.466 1.923 0 40 EDAB C[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(OCC(F)(F)F)nc1 562630815 SMKCNERBDIYCJP-SKDRFNHKSA-N 333.310 1.016 0 40 EDAB CN1CCN(C(=O)C2CCCC2)C[C@H](Cc2cc(N(C)C)ncn2)C1 72355173 CCGIHILYATWFMU-OAHLLOKOSA-N 345.491 1.666 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2ccncc2)[C@H]1c1ccccc1 72237988 ULQDRQLZURQIHO-SJORKVTESA-N 325.368 1.296 0 40 EDAB Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(=O)N(C)C1 78769681 NFRDTJPUMNDLSV-JSGCOSHPSA-N 347.440 1.313 0 40 EDAB NC(=O)c1cc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n[nH]1 225559354 NNGLBPSDMGDKNT-UHFFFAOYSA-N 330.363 1.596 0 40 EDAB CC(=O)N1CCN(C(=O)C[C@@H](CC(=O)O)c2ccc(F)cc2)CC1 226750517 LMYZPXAULDQMET-AWEZNQCLSA-N 336.363 1.465 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)CNC(=O)c2cccs2)CC1 223209524 KZWJONNRRZZPBF-UHFFFAOYSA-N 337.445 1.241 0 40 EDAB CCc1c(Cl)nc(C)nc1N[C@H]1CCCN(S(C)(=O)=O)C1 96429249 QRVASNUWMJRFHM-JTQLQIEISA-N 332.857 1.837 0 40 EDAB O=S1(=O)CC[C@H](c2nn3c(-c4cccc(F)c4)nnc3s2)C1 96231995 HUEGVQQJCCEXKF-VIFPVBQESA-N 338.389 1.894 0 40 EDAB COCCn1cc2c(n1)[C@@H](CNC(=O)Cc1cccs1)OCC2 96044323 BUPXCXAIVQLHBD-CQSZACIVSA-N 335.429 1.564 0 40 EDAB c1cnc(OC[C@@H]2CC[C@H]3[C@@H]2OCCN3Cc2ccncc2)nc1 96250000 GKMXSUAOFHNXOM-YESZJQIVSA-N 326.400 1.930 0 40 EDAB Cc1cc(NC(=O)c2ccccc2OCc2nnnn2C)n(C)n1 96101367 IKKQZMOZDMDLDK-UHFFFAOYSA-N 327.348 1.083 0 40 EDAB C[C@@H]1c2ccsc2CCN1CCNS(=O)(=O)c1cnn(C)c1 96441366 JUJBMZSRRQKPTD-LLVKDONJSA-N 340.474 1.379 0 40 EDAB C[C@@H]1CCCCCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 95397210 PTVWNAPZDDLLFC-LLVKDONJSA-N 342.399 1.824 0 40 EDAB CN1CCCNCCN(CCc2ccccn2)CCCN(C)CC1 22859470 YRVNCVABXMBHRD-UHFFFAOYSA-N 333.524 1.173 0 40 EDAB biogenic O=C1[C@@H]2CCN(c3ncccn3)C[C@@H]2OCCN1Cc1ccncc1 96206852 LFJRELDKRVOIEC-CVEARBPZSA-N 339.399 1.126 0 40 EDAB CCCN1CCc2c(C(=O)N(C)Cc3ccccn3)nn(C)c2C1 96187502 MWCPHJATGIDGCZ-UHFFFAOYSA-N 327.432 1.855 0 40 EDAB Cc1c(CCNC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)cnn1C 96485913 GPYSBLMYONVVMP-NSHDSACASA-N 347.385 1.549 0 40 EDAB O=C([C@H]1COc2ccccc21)N1CCN(c2cc(Cl)ncn2)CC1 96449811 PSABHUCAYWAHRA-ZDUSSCGKSA-N 344.802 1.955 0 40 EDAB CC(=O)N1CCC2(CC1)CC[C@@]1(C(=O)NCC(C)C)CN(C)C[C@@H]21 96262417 ULXUXGHNBUBRTO-QFBILLFUSA-N 335.492 1.729 0 40 EDAB COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cccc(F)c1)CC[C@H]2OC 96110978 LLAOLEDVFSPRQJ-GVDBMIGSSA-N 336.407 1.633 0 40 EDAB Cc1noc(C)c1CCCNC(=O)N1CCCN(C(=O)C2CC2)CC1 97103125 YENCOXUXTDOCPP-UHFFFAOYSA-N 348.447 1.878 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2O1)NC1CC1 96208176 CFVOOIPACQYPNK-DHSIGJKJSA-N 344.411 1.673 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCN(Cc3nccn3C)C2)CC1=O 96239400 NRYJSVJKDUMNTI-GOSISDBHSA-N 343.431 1.650 0 40 EDAB CN(C)CC(=O)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 96107339 ZJTXONRSPIZIPI-AEFFLSMTSA-N 333.432 1.310 0 40 EDAB CCc1nncn1CCNC(=O)N[C@@H]1CCCN(C2CCCCC2)C1 96440059 GGBQMNSJXJKNKH-OAHLLOKOSA-N 348.495 1.937 0 40 EDAB Cc1cc(CN2Cc3ccnn3[C@H](C(=O)N3CCCCO3)C2)no1 247876370 AFMGHSLTDQVCCL-HNNXBMFYSA-N 331.376 1.290 0 40 EDAB COC(CN1CC[C@@H](Oc2cncc(Br)c2)C1)OC 585116474 XXYCOWRZFUZHBX-LLVKDONJSA-N 331.210 1.916 0 40 EDAB CNS(=O)(=O)Cc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 585137370 VMPIIJFDPSKNJS-SSDOTTSWSA-N 327.431 1.571 0 40 EDAB COC(=O)c1cc(Br)c(N(C)CCOCCO)nc1C 585118201 GQELNDVISSXAMX-UHFFFAOYSA-N 347.209 1.384 0 40 EDAB CN(C(=O)c1cccc2c1OCCO2)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257252629 JVMQMLGORYCGEO-BFYDXBDKSA-N 346.427 1.518 0 40 EDAB CC(C)Cc1cc(C(=O)NC[C@@]2(O)CCN(c3cnccn3)C2)on1 257267393 MHCJXPRXAZDIIS-KRWDZBQOSA-N 345.403 1.034 0 40 EDAB CCc1nccn1CCC(=O)N1CCO[C@H](c2ccnc(C)n2)C1 257298309 RLDSEPYWYBBBRJ-HNNXBMFYSA-N 329.404 1.534 0 40 EDAB O=C(c1ccc(N2CCCC2)cc1)N1CC[C@@](O)(CN2CCCC2)C1 257204527 AVAPHMOCZSAHJR-HXUWFJFHSA-N 343.471 1.960 0 40 EDAB c1cnc([C@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)cn1 257234184 GSMRFLRFMREQPX-MRXNPFEDSA-N 326.404 1.440 0 40 EDAB CC(=O)N1CCN(Cc2c(F)cccc2F)C[C@H](C(=O)N(C)C)C1 257256214 KKMYDLKENMXTDN-ZDUSSCGKSA-N 339.386 1.333 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)[C@@H]1COCCN1CC(F)(F)F 252480171 BXHDZUXOJVKPKU-QWHCGFSZSA-N 332.322 1.099 0 40 EDAB CSc1nc(C)c(CCC(=O)O[C@@H](C)C(=O)NC2CC2)c(C)n1 26705816 WEDZJXMOEBKOSH-NSHDSACASA-N 337.445 1.958 0 40 EDAB Cn1nccc1CCC(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257247877 JAYUPFUWZPFIJG-MRXNPFEDSA-N 343.431 1.190 0 40 EDAB CC(C)N1CCN(C(=O)CCCc2ccc(F)cc2)C[C@@H]1C(N)=O 257317548 VKEZAIOWDSIEFQ-MRXNPFEDSA-N 335.423 1.555 0 40 EDAB O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc2c1OCO2 542989832 UOTXAGXNORMUEG-UHFFFAOYSA-N 340.383 1.571 0 40 EDAB Cc1cn(C)c([C@@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)n1 257272959 NEQOTWFBGXQRFU-AWEZNQCLSA-N 326.466 1.289 0 40 EDAB Cc1cc(-c2nccnc2CC2CCN(S(C)(=O)=O)CC2)[nH]n1 257286983 PNYDKFBLYSVNAP-UHFFFAOYSA-N 335.433 1.389 0 40 EDAB Cc1ncc(CN2CCC[C@H](Cc3[nH]ncc3S(C)(=O)=O)C2)cn1 257258796 KVPALHIABIZPRW-CYBMUJFWSA-N 349.460 1.366 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)COc3cccnc3)CCO2)n1 257330867 XQJDIPNSSWREAA-HNNXBMFYSA-N 328.372 1.467 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257201580 AIFDTDPQAXCUEA-OAHLLOKOSA-N 343.431 1.406 0 40 EDAB COCCC(=O)N1CC[C@@H]2[C@@H](c3ccccc3)NC[C@]2(NC(C)=O)C1 257229655 FYZPPUUJMIZWPA-QRQLOZEOSA-N 345.443 1.091 0 40 EDAB CS(=O)(=O)N1CCC(N2CCC[C@@H](Cc3cccnc3)C2)CC1 257265026 LWZDBNYGPAQRPN-INIZCTEOSA-N 337.489 1.760 0 40 EDAB Cc1cnc(C(=O)N2[C@H]3CC[C@H]2[C@@]2(C3)NC(=O)c3ccccc3N2)cn1 253601334 PKVUSFNXLNWUNH-XGINMYPSSA-N 349.394 1.714 0 40 EDAB Cc1nn(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c(=S)n1C 26643330 QLXGADQYDLKOEV-UHFFFAOYSA-N 349.435 1.814 0 40 EDAB NC(=S)NN=Cc1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 254815983 IKLCLRHKVLDUDV-UHFFFAOYSA-N 333.325 1.510 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1ccnc(N(C)C)c1 257295022 QWPWUEKAFFNILG-CQSZACIVSA-N 326.466 1.871 0 40 EDAB CCc1noc(CCC(=O)N2CC[C@H](c3nc(C)cc(C)n3)C2)n1 257258593 KURQKDXANPODMV-ZDUSSCGKSA-N 329.404 1.988 0 40 EDAB Cc1cc(OC(=O)C[C@@H](O)[C@@](C)(CO)C(=O)O)cc(C)c1Cl 253372429 FHSFGKOTLUEZAH-IAQYHMDHSA-N 330.764 1.696 0 40 EDAB COC(=O)[C@@H](C)CS(=O)(=O)N1CCO[C@H](Cc2ccccc2)C1 271998697 RLMXQLFSOYHRLO-DZGCQCFKSA-N 341.429 1.069 0 40 EDAB COC(=O)C[C@@H](CNC(=O)CN1Cc2ccccc2C1=O)C1CC1 598269127 CDFNGSZBBVLMBJ-AWEZNQCLSA-N 330.384 1.348 0 40 EDAB Nc1cc(F)c(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1Cl 1615586877 QRMUKQGOCVEMHL-GJZGRUSLSA-N 341.814 1.733 0 40 EDAB Cc1nc(C[C@@H]2CCCN(C(=O)[C@@]34CNC[C@H]3COC4(C)C)C2)no1 1616038380 GPABCXJGMPDALI-SUNYJGFJSA-N 348.447 1.174 0 40 EDAB CC(C)Oc1ccccc1Cn1nnnc1N(C)C[C@H]1COCCO1 1616033035 JHTHOQUDSRLLHQ-HNNXBMFYSA-N 347.419 1.360 0 40 EDAB Cc1cnc(C(=O)N2C[C@@H]3CN(c4cc(C)ncn4)C[C@]3(C)C2)cn1 1616032421 DHBNGBXZQWHXBJ-KBXCAEBGSA-N 338.415 1.482 0 40 EDAB O=C(C1CC(O)C1)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 585108574 HICPFDGPMBGXPA-JWRYVHENSA-N 332.400 1.128 0 40 EDAB Cn1nccc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 585108827 PBBRAOYLPBDDFS-NUEKZKHPSA-N 328.372 1.266 0 40 EDAB Cc1cc(CN2Cc3ncn(C)c3C[C@@H]2COc2ccccn2)n[nH]1 585094918 UHQZTXCTIIGPLQ-OAHLLOKOSA-N 338.415 1.853 0 40 EDAB Cn1cccc1C(=O)N1Cc2ncn(C)c2C[C@H]1COCC1CC1 585094783 MRQUPRPTEVLIDO-AWEZNQCLSA-N 328.416 1.752 0 40 EDAB Cc1cc(C)cc(C(=O)N2C[C@H]3ON=C(C(=O)NC4CCC4)[C@H]3C2)c1 585109122 WXNSZRHYHWHPIG-JKSUJKDBSA-N 341.411 1.799 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)N2CC(n3cccn3)C2)cc1OC 69819858 BTEULJGXRQJJBF-ZDUSSCGKSA-N 344.415 1.462 0 40 EDAB C[C@@H](Oc1cccc(C(=O)NCCO)c1)C(=O)Nc1ccccc1 70040453 WYZYTBWJMJSVPH-CYBMUJFWSA-N 328.368 1.815 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)N(C[C@@H]1CCOC1)C1CC1 48132999 UMRAJIMRZQFECI-LBPRGKRZSA-N 328.376 1.695 0 40 EDAB Cc1cccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1 48324923 ZXRAZLQUPRCJJX-ACJLOTCBSA-N 344.367 1.795 0 40 EDAB O=C(CCn1cccn1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 95446073 DOFHDAOKNXQLQJ-UHFFFAOYSA-N 338.415 1.494 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(Br)cc2)C1 96408562 CJOHAAPVVUSJDW-LLVKDONJSA-N 347.234 1.213 0 40 EDAB S=C(S)NCCN(CCNC(=S)S)C(=S)S 5828655 ZWVPTPAMFHHXNH-UHFFFAOYSA-N 331.604 1.112 0 40 EDAB Cc1cccc(C(=O)NCC(=O)NC[C@@H]2COc3ccccc3O2)c1 12864150 OILUXUCWXRJMIU-OAHLLOKOSA-N 340.379 1.681 0 40 EDAB CC(=O)N[C@@H]1CCO[C@H](c2ccc(C(=O)N3CCOCC3)cc2)C1 19711948 WJGJXZGUWLELEW-SJORKVTESA-N 332.400 1.515 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101899524 KXZMUGJIZJBVQJ-BETUJISGSA-N 343.383 1.404 0 40 EDAB CCOc1ccc(NC(=O)C[C@H](C(=O)O)N2CCN(C)CC2)cc1 22584905 IUFNAPQKPZGWJU-OAHLLOKOSA-N 335.404 1.115 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)Nc2nc(C)c(C)s2)c1 29582234 VGLSRSURPYOTRF-UHFFFAOYSA-N 325.415 1.920 0 40 EDAB O=C(OCCN1C(=O)c2ccccc2C1=O)[C@@H]1Cc2ccccc2O1 10613431 IEMPDRMHGCGHSA-INIZCTEOSA-N 337.331 1.830 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(c2ccc(Br)cn2)CCO1 1888846737 AOLABGWDYIXEDL-NSHDSACASA-N 326.194 1.328 0 40 EDAB O=C1[C@@H]2CN(c3ncnc4ncccc34)C[C@@H]2C(=O)N1c1ccccc1 1888891013 WHQLUCLSUNEYPE-GASCZTMLSA-N 345.362 1.651 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(Cc3c(C)noc3C)CC2)n1 1889090328 BJMJFANROTVECK-UHFFFAOYSA-N 330.436 1.778 0 40 EDAB CO[C@H]1[C@H](CNC(=O)c2cc3ccc(F)cc3[nH]2)COC[C@H]1OC 2037961642 QKMVGEAPHVDWDP-LYRGGWFBSA-N 336.363 1.713 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O 5000117 FCOKCCYMUGKKPS-UHFFFAOYSA-N 327.315 1.478 0 40 EDAB CN1C(=O)N(CC(=O)NCCc2ccccc2)C(=O)C12CCCCC2 6006464 HYKSXWVXYABKAF-UHFFFAOYSA-N 343.427 1.942 0 40 EDAB Cc1ccc(Cn2nc(C(=O)NCc3ccccn3)ccc2=O)cc1 11782069 BKQKYNVKSVFHKE-UHFFFAOYSA-N 334.379 1.925 0 40 EDAB O=C(NCCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccon1 17155800 UHAATGBCOAPOIZ-UHFFFAOYSA-N 328.372 1.572 0 40 EDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)C2CCCCC2)C1 2055771736 SXUTYVOIKWQDDN-GOSISDBHSA-N 332.448 1.869 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CC1)CO[C@@H](COc1ccccn1)C2 2055806571 JUJSHOITAOLKQB-JKSUJKDBSA-N 346.427 1.895 0 40 EDAB CNC(=O)Cc1cc(O)nc(SCC(=O)N(C)c2ccccc2)n1 23145224 XAZJWHKNTFAKOT-UHFFFAOYSA-N 346.412 1.226 0 40 EDAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cnccn1 206793917 LWKKIOSDIRGBSN-RISCZKNCSA-N 345.330 1.451 0 40 EDAB Cc1cc2ncc3c(n2n1)CCN(S(=O)(=O)c1c(C)noc1C)C3 208038131 GGXMTKAPUWKHMK-UHFFFAOYSA-N 347.400 1.390 0 40 EDAB O=C(c1ccc2ccccc2n1)N1CC(CN2C(=O)COC2=O)C1 575616275 KPRYLIMYNUVIFC-UHFFFAOYSA-N 325.324 1.286 0 40 EDAB CCOc1ncccc1CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 30307662 SNTJRHAQTSALKI-AWEZNQCLSA-N 343.383 1.738 0 40 EDAB CCCc1nnc(S)n1CC(=O)N[C@@H](CC(C)C)C(=O)OC 30695018 CSSQFTZIRMDHQH-JTQLQIEISA-N 328.438 1.223 0 40 EDAB Cc1ccc(OC[C@H](O)Cn2c(C)cc(=O)n3ncnc23)c(C)c1 40498034 LRABZYWNYKGMEU-CQSZACIVSA-N 328.372 1.256 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](c2ccccc2)C1 40511244 SSMRTOJQPGGFNG-OCCSQVGLSA-N 328.420 1.654 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)NC[C@@H]3CCOC3)ccc2c1=O 40525117 MBIUAQTZZCQVEZ-NSHDSACASA-N 331.372 1.037 0 40 EDAB O=C(NCCCOc1ccccc1F)NC[C@@H]1CCS(=O)(=O)C1 40501939 WSTVEWQXZDVPPC-LBPRGKRZSA-N 344.408 1.329 0 40 EDAB CSCC[C@H](C)N(C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101192344 YODJCWXMRNVOQK-ZCRGAIPPSA-N 336.457 1.394 0 40 EDAB CCOC(=O)C1=C(COc2cccc3c2CCC3=O)NC(=O)NC1 32789184 VKNRIVJKBYRERD-UHFFFAOYSA-N 330.340 1.324 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)nc1 32841578 ZCQTUZFMBQYUEQ-SJKOYZFVSA-N 330.388 1.829 0 40 EDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccnn1C1CCCC1 102893719 YQSHWOYAQNBGMO-ZIAGYGMSSA-N 342.399 1.888 0 40 EDAB CCn1cc(Cn2cc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cn2)cn1 2809392 TVLZJBQQYIDTMV-HUUCEWRRSA-N 345.403 1.977 0 40 EDAB CC(C)CNC(=O)[C@H]1CCCN(c2ncc(C(N)=O)cc2Cl)C1 54059143 DPJMBRWHQPNITC-NSHDSACASA-N 338.839 1.823 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CCC[C@@H]1C(N)=O 78879340 ZJMOSTWNPYIBJY-HOTGVXAUSA-N 334.464 1.859 0 40 EDAB Cn1cccc1[C@@H](O)CNC(=O)NCc1ccnc(-n2ccnc2)c1 78952255 PGALVAMWFVEXLM-HNNXBMFYSA-N 340.387 1.139 0 40 EDAB Cc1nnc(CNC(=O)c2ccc(N3CCOCC3)c(F)c2)n1C 79049411 IHCAJYLOZZAVGV-UHFFFAOYSA-N 333.367 1.029 0 40 EDAB CC(=O)NCCNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 47727873 ZVONHNHRTSRKGW-UHFFFAOYSA-N 338.795 1.490 0 40 EDAB O=C(NCCCNc1ncccn1)c1ccc2c(c1)OCCCO2 42757509 YNDBLQOCTBIFLT-UHFFFAOYSA-N 328.372 1.870 0 40 EDAB C[C@H]1CN([C@@H](C)CNC(=O)c2c[nH]c(=O)c(Cl)c2)C[C@@H](C)O1 54763543 WBXOORUSGDHNKN-GARJFASQSA-N 327.812 1.256 0 40 EDAB COC(=O)CN1C(=O)/C(=C/c2ccc(N(C)C)cc2)N(C)C1=S 6949557 HLGIGYKZVGBFDD-LCYFTJDESA-N 333.413 1.325 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2cnn(Cc3ccccc3)c2)CC1 42948804 NTIJQVULAPJCMS-UHFFFAOYSA-N 341.415 1.338 0 40 EDAB Cc1cc(C(=O)Nc2ccccc2C(N)=O)ccc1NS(C)(=O)=O 10315096 HAJNNUHKGJHMKO-UHFFFAOYSA-N 347.396 1.718 0 40 EDAB CC(=O)c1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1 54530936 REQIWNDGVRZFNV-UHFFFAOYSA-N 339.399 1.440 0 40 EDAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cccc(F)c2)cc1 8065906 VCSFLZYAESXIMM-UHFFFAOYSA-N 339.344 1.709 0 40 EDAB NC(=O)[C@H]1CN(CC(=O)NCCc2cccs2)c2ccccc2O1 12596541 MVKSTKRLZHNUCP-OAHLLOKOSA-N 345.424 1.160 0 40 EDAB CN(C)S(=O)(=O)c1ccc(OCCSc2nccn2C)cc1 25066634 KUNQRAXEVFONKT-UHFFFAOYSA-N 341.458 1.842 0 40 EDAB CC(C)N1CC[C@H](NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)C1 106788547 BIMUZNBDHWXEME-LSDHHAIUSA-N 339.505 1.677 0 40 EDAB C[C@H](CNC(=O)CCn1cnc2ccccc2c1=O)CN1CCCC1 47905180 MKWCIUDYDZNZOW-OAHLLOKOSA-N 342.443 1.635 0 40 EDAB Cn1c(=O)c2c(C(F)(F)F)cc(C(F)(F)F)nc2n(C)c1=O 3281456 PGYTZTCOGPUKJO-UHFFFAOYSA-N 327.184 1.670 0 40 EDAB C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccccc1)c1ccccc1 3250433 JTZNSJQQMKOAMG-CQSZACIVSA-N 340.379 1.837 0 40 EDAB O=C(Cc1ccc(Cl)c(Cl)c1)NCCCN1C(=O)CNC1=O 108283162 LRVNWXGWVATLIQ-UHFFFAOYSA-N 344.198 1.594 0 40 EDAB O=C1CN(CC(=O)N[C@@H](c2ccccc2)c2cccs2)CCN1 84525057 YFGIZLFNCHNYNU-KRWDZBQOSA-N 329.425 1.386 0 40 EDAB CCN(C[C@H]1CCOC1)S(=O)(=O)c1ccc(NC(C)=O)cc1 58175191 HNQLIAAWIPIPQW-CYBMUJFWSA-N 326.418 1.692 0 40 EDAB CC(C)(CNC(=O)c1ccc(Cn2cccn2)cc1)N1CCOCC1 44896737 QPAFUKQVSRWDGX-UHFFFAOYSA-N 342.443 1.772 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)NC[C@@H](O)c1ccccc1 44966329 BTFKVCMSTMSNGH-CQSZACIVSA-N 329.404 1.537 0 40 EDAB C[C@H]1CN(c2nc3nonc3nc2N2C[C@H](C)O[C@H](C)C2)C[C@@H](C)O1 10337071 XCBQQPPTFMOTFV-BKUVIOGVSA-N 348.407 1.240 0 40 EDAB COc1ccc2c(C)c(CC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c1OC 2122674 WTBLBDQOALNXAP-VIFPVBQESA-N 349.339 1.250 0 40 EDAB biogenic CN1C(=O)N[C@](C)([C@@H]2CCCN(CCOCC(F)(F)F)C2)C1=O 84668089 QWHRCCQUORYTJU-ZWNOBZJWSA-N 337.342 1.218 0 40 EDAB Cc1cc(C(=O)NC2CCN(Cc3noc(C(C)C)n3)CC2)no1 58304705 WVUWDWLKAPYKQV-UHFFFAOYSA-N 333.392 1.884 0 40 EDAB COc1ccc(C(=O)NCCC(=O)NCc2ccncc2)c(OC)c1 58342673 CXFCMUAUUWHVMN-UHFFFAOYSA-N 343.383 1.535 0 40 EDAB CC(C)N1CCC[C@H](CNC(=O)Cn2nnc(-c3ccccc3)n2)C1 58341215 ZKFXHIRGHSUOQQ-OAHLLOKOSA-N 342.447 1.577 0 40 EDAB C[C@@H](O)CN(CCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 84638247 ZMIJCHGCAOOJLA-CQSZACIVSA-N 331.416 1.738 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCc2cccc(NC(=O)CN(C)C)c2)c1 58434548 WDEILPHOYXMGFI-UHFFFAOYSA-N 342.399 1.647 0 40 EDAB CCc1ccc(S(=O)(=O)NCCCn2ncccc2=O)s1 23137483 OMHVHEGZVDZGKU-UHFFFAOYSA-N 327.431 1.236 0 40 EDAB CC[C@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCN1C[C@@H](C)O 84736455 JWQWGRITJBDXMF-OCCSQVGLSA-N 340.855 1.451 0 40 EDAB Cc1cc(NC(=O)CN2CCN(CCc3ccccc3)CC2)no1 22130601 UKWHWJSIVVBAPE-UHFFFAOYSA-N 328.416 1.782 0 40 EDAB CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C(=O)NC)N(C)C)cc1 95436827 QQBFVENDYTXQKZ-SJORKVTESA-N 346.475 1.772 0 40 EDAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NC3CC3)c(Cl)c2)C1=O 12024022 FSZOUFPTVDIMIR-QMMMGPOBSA-N 342.804 1.545 0 40 EDAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N1CCCCC1 3493393 QDILMKMGFDIGKG-FOWTUZBSSA-N 330.384 1.719 0 40 EDAB CC[C@](C)(NC(=O)CNC(=O)c1ccccc1)C(=O)NC1CCCC1 3625918 ASDGTPJPMLOLQQ-IBGZPJMESA-N 345.443 1.760 0 40 EDAB O=C(O)c1nccnc1C(=O)Nc1cnn(Cc2ccccc2F)c1 71282250 BMPRMGKMYQMCRF-UHFFFAOYSA-N 341.302 1.811 0 40 EDAB COc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)Cn2cncn2)cc1 72302785 IHQGHNOBBSGXLA-LLVKDONJSA-N 326.360 1.495 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@@]2(CCN(Cc3cncn3C)C2)C1 306129055 HSRVEPUIZZWXEP-PBHICJAKSA-N 328.420 1.080 0 40 EDAB CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCc2nccn2C)C1 95400492 OVLSAZWDAHTTBZ-AWEZNQCLSA-N 335.452 1.156 0 40 EDAB Cc1nc([C@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CCO2)no1 96000514 SZOILLJADJJBMP-GFCCVEGCSA-N 343.792 1.794 0 40 EDAB O=C(C1CCCC1)N1CC(S(=O)(=O)NCc2ncccc2F)C1 96005511 JHPVXDYEVJLJMY-UHFFFAOYSA-N 341.408 1.041 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccccc1-n1ccnn1 97047226 UVCTUUWOIXIFAX-LLVKDONJSA-N 325.328 1.617 0 40 EDAB CN(C(=O)CN1CC[C@@H](CNc2ccccn2)C1)c1nccs1 65479743 FQBMOABKDHUOLF-ZDUSSCGKSA-N 331.445 1.935 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1 14180906 RYQUJKPPTKTEFG-MRXNPFEDSA-N 326.352 1.606 0 40 EDAB Cc1nnc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)o1 14253430 LXZHMNRTUVQOQY-OAHLLOKOSA-N 330.300 1.074 0 40 EDAB CN(C)C(=O)Cn1cc(NC(=O)C2=NO[C@H](c3ccccc3)C2)cn1 66382763 RWFVBTUVUIWVME-HNNXBMFYSA-N 341.371 1.427 0 40 EDAB O=C1NC(=O)[C@@]2(CCN(C(=O)C3(c4cccc(F)c4)CCCC3)C2)N1 72290660 FUIPRWUVMIWMSA-SFHVURJKSA-N 345.374 1.448 0 40 EDAB Cc1noc(CN2CCN([C@H](C)C(=O)N(C)c3ccccc3)CC2)n1 67378267 XXNZPENOECJOJQ-CQSZACIVSA-N 343.431 1.547 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cnc4[nH]nc(C)c4c3)C2)n1 72235466 VCLJASWTGOKZJA-AWEZNQCLSA-N 339.403 1.952 0 40 EDAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccccc2F)c2ccccc2O1 7253267 UBAMNVREFDIFFK-MRXNPFEDSA-N 343.358 1.778 0 40 EDAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1sccc1C(N)=O 15645394 SJONNDBEPPVDFC-QMMMGPOBSA-N 334.353 1.737 0 40 EDAB NC(=O)c1ccc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)nn1 80678724 GCBZLWVZSMNAQQ-MRXNPFEDSA-N 330.363 1.665 0 40 EDAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc[n+]([O-])cc2)c1C 7681682 GHEDZKBVKKOWRQ-CYBMUJFWSA-N 346.383 1.985 0 40 EDAB O[C@@H](COc1ccc(-c2nnco2)cc1)Cn1nnc2ccccc21 7636350 ZYRNICWYHNZIAD-CYBMUJFWSA-N 337.339 1.921 0 40 EDAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC1=NCCS1 9450573 SCEXSGCWURRWMW-UHFFFAOYSA-N 325.777 1.857 0 40 EDAB CN(CC(=O)Nc1ccc(Br)cn1)[C@@H]1CCOC1=O 68451564 AXUXHVORKWOXDN-SECBINFHSA-N 328.166 1.030 0 40 EDAB O=C(CN1CCC[C@H](c2ccn[nH]2)C1)NCCOc1ccc(F)cc1 72270714 CPZDKPHPJUHBFY-AWEZNQCLSA-N 346.406 1.923 0 40 EDAB NC1=Nc2nc3cc4c(cc3n2[C@@]2(CCSC2)N1)OCCCO4 7738305 FNHWMJOQYFOSIY-OAHLLOKOSA-N 331.401 1.537 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cnc12 16260572 TWUZBUSENHXHOD-UHFFFAOYSA-N 349.350 1.513 0 40 EDAB CN(C)CCCNC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O 9577559 WMJXXAOHKGITOB-SDNWHVSQSA-N 347.440 1.791 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccc(F)c2)cc1 8035408 OTBIIMDWQXJYGP-UHFFFAOYSA-N 336.388 1.375 0 40 EDAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(NC(N)=O)cc2)no1 16795552 FDFZREYXYFOLCV-VIFPVBQESA-N 332.316 1.658 0 40 EDAB CCCc1noc(CCC(=O)N2CCC(Nc3cccnn3)CC2)n1 71863362 JXCVCIANYUGJIJ-UHFFFAOYSA-N 344.419 1.848 0 40 EDAB COc1cc(NC(=O)c2cc(=O)c(OC)co2)cc(OC)c1OC 16850800 BAJZSDPFAOSPIO-UHFFFAOYSA-N 335.312 1.927 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2nc(C)cc2C)cn1 71870302 SUERLSYDFWNYON-OAHLLOKOSA-N 341.415 1.559 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc(C)ccc2OC)CC1 70017292 WTMIGKLIXQIKTC-OAHLLOKOSA-N 336.432 1.159 0 40 EDAB COc1ccc(OCc2noc(CNCCn3cc(C)cn3)n2)cc1 70020721 IMUPKZUNVJWQLO-UHFFFAOYSA-N 343.387 1.952 0 40 EDAB Cc1cc(CN2CCN(C[C@@H](O)COCc3ccco3)CC2)no1 69325725 MDLJLQZJYMPJDN-MRXNPFEDSA-N 335.404 1.271 0 40 EDAB Cc1cccn2cc(CNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)nc12 71893396 BNVRTPBFJPHGMZ-GUYCJALGSA-N 344.440 1.713 0 40 EDAB Cc1cnn(CCCNC(=O)c2ccc(N3CCOCC3)c(F)c2)c1 71883294 CVJLQZUVZSRRMG-UHFFFAOYSA-N 346.406 1.987 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N3C[C@H](C)OC[C@@H]3C)CC2=O)cc1 69420848 VLYHZDRNIFINAP-OFQRWUPVSA-N 346.427 1.680 0 40 EDAB Cc1noc(CN2CCN(CCC(=O)Nc3ccccc3)CC2)n1 69490633 ILFIIYKOGLJSRH-UHFFFAOYSA-N 329.404 1.524 0 40 EDAB C[C@H](NC(=O)c1cnccn1)C(=O)Nc1cccc(N2CCCC2)c1 69457622 MVTFFXMYHZARET-ZDUSSCGKSA-N 339.399 1.834 0 40 EDAB COc1ccc(NC(=O)N2CCC(CO)CC2)cc1-n1nnnc1C 69652873 PYGVXTFSFJKHKM-UHFFFAOYSA-N 346.391 1.216 0 40 EDAB CNC(=O)c1ccc(CN(CCn2cncn2)Cc2ccco2)cc1 69623532 ONACBHCWRXERER-UHFFFAOYSA-N 339.399 1.933 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 71911396 PCAYCILSPLMXNA-JSGCOSHPSA-N 342.436 1.696 0 40 EDAB O=S(=O)(CCN1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 69872981 BESZLPFTPKMHDO-OAHLLOKOSA-N 334.445 1.464 0 40 EDAB CN(C)C(=O)c1cccc(NS(=O)(=O)N2CCCCCC2)c1 69841621 GRQDPZVQCJQIDB-UHFFFAOYSA-N 325.434 1.921 0 40 EDAB COCCN1CCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 69976520 KBQAAYOKMSNXOE-OAHLLOKOSA-N 337.439 1.437 0 40 EDAB CCOCCCNC(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 69921378 YIZHAMWESPGVNS-UHFFFAOYSA-N 334.380 1.527 0 40 EDAB CN(C)S(=O)(=O)CC(=O)N(Cc1c(F)cccc1Cl)C1CC1 97107205 XAOAMFAHFUJMJA-UHFFFAOYSA-N 348.827 1.862 0 40 EDAB Cc1noc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 95947306 IATWJWQAOIBPRQ-UHFFFAOYSA-N 336.417 1.026 0 40 EDAB CS[C@@H]1CN(S(=O)(=O)c2cccs2)C[C@@H]1N1CCCC1 95946058 WBMPILVIYQLYQB-NWDGAFQWSA-N 332.516 1.948 0 40 EDAB O=C1CCN(CCNS(=O)(=O)c2ccccc2)c2ccccc2N1 75142021 CIJWXHCCEDDKIG-UHFFFAOYSA-N 345.424 1.814 0 40 EDAB O=C1NC[C@@H](C(=O)NCc2cccc(OCc3ccccc3)c2)N1 89836816 JMTHWVLKNCVNRH-INIZCTEOSA-N 325.368 1.563 0 40 EDAB COC[C@H](C)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 89912542 LEWYNLJBRIRBJL-PKOBYXMFSA-N 345.487 1.830 0 40 EDAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207842 VTTYTHKZBNWSFU-JTQLQIEISA-N 348.852 1.884 0 40 EDAB Cc1cc(CN2CC3(CC[C@H](CNC(=O)N4CCCC4)CO3)C2)no1 306143829 YNQXKZMYOMKQII-OAHLLOKOSA-N 348.447 1.769 0 40 EDAB Cc1nccc(CNC(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)n1 547686931 AVIOACWRVULFKB-LSDHHAIUSA-N 330.392 1.238 0 40 EDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 65403930 MHTYKXQTHXCXET-CYBMUJFWSA-N 349.431 1.125 0 40 EDAB COC(=O)c1cn(NC(=O)Cc2ccccc2)cc2c(O)nnc1-2 524733782 OJZBBMDRGBDUDJ-UHFFFAOYSA-N 326.312 1.188 0 40 EDAB Cn1cc([C@H]2CSCCN2C(=O)NCCc2ccnn2C)cn1 189980359 OELAPPPIHCIAIZ-CQSZACIVSA-N 334.449 1.196 0 40 EDAB CNc1c(Cl)cncc1S(=O)(=O)N1CCN(C(C)C)CC1 72210800 KARGRBNLLFYZDQ-UHFFFAOYSA-N 332.857 1.491 0 40 EDAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2CC(N)=O)n1 72360959 VCDWZEVXKUVZNB-GFCCVEGCSA-N 332.433 1.916 0 40 EDAB CCN1C[C@H](C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)CC1=O 79353262 IOWQVSZAPOOMPL-GOEBONIOSA-N 330.432 1.155 0 40 EDAB Cc1cnc2cc(C(=O)N3C[C@@H](N4CCOCC4)[C@H](C)C3)ccn12 564466745 VBIBRZZLZRGFML-CZUORRHYSA-N 328.416 1.435 0 40 EDAB CCn1cc(S(=O)(=O)NCCc2c[nH]c3ccc(OC)cc23)cn1 80625111 KFTDHHXGHKYCIW-UHFFFAOYSA-N 348.428 1.914 0 40 EDAB NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2cnc3ccsc3c2)C1 83997569 FILCDNFUQSAYIC-JTQLQIEISA-N 339.442 1.572 0 40 EDAB O=C(Cn1cc(COc2cccc(F)c2)nn1)NC[C@@H]1CCCO1 227169783 SAXVCVHBFQMJAK-HNNXBMFYSA-N 334.351 1.291 0 40 EDAB Cn1nc(C(=O)NC[C@H]2CCCO2)cc1NC(=O)c1cccs1 40745926 MHPVAYSUDURDOT-SNVBAGLBSA-N 334.401 1.643 0 40 EDAB O=C(Nc1cccs1)N[C@H]1CO[C@@H](CN2CCC(F)(F)C2)[C@@H]1O 514288861 IDRWHHAOXYNFMT-JBLDHEPKSA-N 347.387 1.339 0 40 EDAB biogenic,in-vitro CC(C)(C)n1cc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cn1 96489569 ZLOQXOUABBWIQM-INIZCTEOSA-N 334.464 1.709 0 40 EDAB C[C@H](C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1)S(C)(=O)=O 96423031 QPMRUAUHXADQCB-NEPJUHHUSA-N 344.864 1.858 0 40 EDAB C[C@H]1CC[C@@H](CO)CN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 96501241 VTWXALPWPFKQCE-VHSXEESVSA-N 338.351 1.882 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 96107318 NVWAZEQTRXIAJH-CVEARBPZSA-N 340.445 1.571 0 40 EDAB O=C(CCN1C(=O)CCc2cc(F)ccc21)NC[C@@H](O)c1ccco1 96436098 MMLPZPKUXHMOMQ-OAHLLOKOSA-N 346.358 1.938 0 40 EDAB Cc1noc(C)c1CN1CCc2ncc(Cn3cccn3)n2CC1 96196938 OZJXLVZJSJTPGD-UHFFFAOYSA-N 326.404 1.791 0 40 EDAB CN(C)CCn1ccc(C(=O)N(C)C[C@@H]2OCCc3ccccc32)n1 578784799 VYXUEDFCDLKPMQ-SFHVURJKSA-N 342.443 1.831 0 40 EDAB O=C1[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2CN1CCN1CCCC1 96245061 QZMCWBLPKWKNOG-WMZOPIPTSA-N 331.435 1.812 0 40 EDAB COC[C@@H]1CN(C(=O)c2cc(C)on2)Cc2nnn(CC3CC3)c21 96045582 MKBHCMGJBWBAFG-LBPRGKRZSA-N 331.376 1.371 0 40 EDAB COc1cccc(CC(=O)N2Cc3nccn3C[C@@H](CN(C)C)C2)c1 96066898 AOPNFKYPWSFZOV-MRXNPFEDSA-N 342.443 1.654 0 40 EDAB Cc1nc(COC[C@]23COC[C@H]2CN(Cc2cnn(C)c2)C3)cs1 96108907 YCPIIKJLSUHWAT-WBVHZDCISA-N 348.472 1.850 0 40 EDAB O=C1CCCN1Cc1nnc2n1CCN(C(=O)c1ccsc1)C2 96058904 SCKDERYWUNCHBH-UHFFFAOYSA-N 331.401 1.118 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 95952890 YCRAYWYPDPETEQ-ZDUSSCGKSA-N 341.452 1.713 0 40 EDAB CC(C)Nc1nc2c(cc1C(=O)O)CCN(Cc1cnn(C)c1)CC2 96189573 URTRCSOMDJKDDE-UHFFFAOYSA-N 343.431 1.934 0 40 EDAB O=S(=O)(Nc1ncn(CC(F)(F)F)n1)c1cccc2c1OCC2 584463207 DPPRBNBPWBTGIQ-UHFFFAOYSA-N 348.306 1.576 0 40 EDAB O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)C(F)(F)C1(O)CCC1 95449174 GCAPNQCNSCLIFZ-UHFFFAOYSA-N 335.310 1.926 0 40 EDAB O=C1CCCN1C[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1 248003603 RRMXGXWTBCVCSY-MRXNPFEDSA-N 332.448 1.364 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245229863 HPFWDUDMFYFZEJ-UYAYXHRUSA-N 330.384 1.192 0 40 EDAB O=C(c1ncccn1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 247848349 HWQFPBRMXONONS-ZDUSSCGKSA-N 326.356 1.324 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 247861585 MWKUUQSWSOECPD-CYBMUJFWSA-N 331.397 1.987 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](C)(C(=O)OC)N[C@H]2c1ccc(C)cc1 245230660 WBUOAAWGZNQQAU-MOROJQBDSA-N 330.384 1.192 0 40 EDAB O=C(c1ncccn1)N1C[C@@H]2OC[C@H](CCOc3cccnc3)[C@@H]2C1 247847251 HMHONFHKASHMNH-BPUTZDHNSA-N 340.383 1.428 0 40 EDAB Cc1ccc2[nH]c(C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)cc2c1C 585127812 JXDQIHQQSGOZPQ-HUUCEWRRSA-N 336.413 1.015 0 40 EDAB CCOC(=O)CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 585121756 YRYDSXIIYHTJPA-AWEZNQCLSA-N 338.448 1.731 0 40 EDAB NS(=O)(=O)CCCNC(=O)NCCc1ccc2ccccc2c1 585137346 UDJHHPIOQJTLTD-UHFFFAOYSA-N 335.429 1.360 0 40 EDAB COC(=O)c1[nH]c(CN(C)CC(C)(C)CN2CCOCC2)cc1C 585116569 BICCZSWOAVCUTH-UHFFFAOYSA-N 337.464 1.900 0 40 EDAB COc1ccc([C@H]2CN(CC(=O)N3CCCCC3)CCN2C)cc1 257308205 TVVQHFUFEWJCAT-GOSISDBHSA-N 331.460 1.996 0 40 EDAB Cc1nonc1CC(=O)N1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 257284436 PCSAZXLOZNIFHE-RDJZCZTQSA-N 349.362 1.491 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@](O)(CN2CCCC2)C1 257266949 MFGTWIAVLQOHBG-SFHVURJKSA-N 332.400 1.017 0 40 EDAB CC(=O)N1CCN(C(=O)c2cccc(O)n2)C[C@H]1c1ccccc1 257238523 HLLDINVFPUOADG-INIZCTEOSA-N 325.368 1.833 0 40 EDAB COCC(=O)N1CCC(c2cccc(N3C[C@@H](C)OC3=O)n2)CC1 257209280 BPTHDHFEFXLPER-GFCCVEGCSA-N 333.388 1.779 0 40 EDAB Cc1ncc(C(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)c(C)n1 257309891 UCVJHHWGVYUKGL-AWEZNQCLSA-N 343.387 1.063 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1C(=O)c1cccs1 257264453 LULMUWBHUWKGGY-SECBINFHSA-N 341.414 1.088 0 40 EDAB CN(C)Cc1cncc([C@@H]2CCCN2C(=O)CCc2ccnn2C)n1 257261196 LGDBFCVZUQBORW-KRWDZBQOSA-N 342.447 1.568 0 40 EDAB Cc1cc(C(=O)N2CCO[C@@H](CCc3ccnc(N(C)C)c3)C2)on1 257345051 ZZTHFODVLNDLLC-HNNXBMFYSA-N 344.415 1.918 0 40 EDAB CN(C(=O)c1ncccn1)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257233080 GNRAXBLWLUUUSB-RBSFLKMASA-N 328.372 1.305 0 40 EDAB CCn1cc(C(=O)N2CCOC[C@H]2c2cc(O)nc(C)n2)c(C)n1 257253233 JYBNUARGDUDFHW-AWEZNQCLSA-N 331.376 1.229 0 40 EDAB Cc1cc(C)nc(N2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)n1 257257521 KPZXLDQEDABCSJ-IAGOWNOFSA-N 338.411 1.710 0 40 EDAB Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)ncc1C(N)=O 1607573265 GFVPUBKQDLPIBE-HNNXBMFYSA-N 339.351 1.141 0 40 EDAB Cc1ccncc1[C@@H]1CCN(C(=O)CN2CCCC[C@@H](O)C2=O)C1 606444380 AKLAMNZXHPLPQD-GDBMZVCRSA-N 331.416 1.079 0 40 EDAB COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(N)ccn1 1616040340 IBEMVLMZJLBMNK-UHFFFAOYSA-N 329.356 1.681 0 40 EDAB COc1ccc(N(C)C(=O)c2ccc(S(N)(=O)=O)cc2)cc1F 390834292 VVKPKKCYEBJOMC-UHFFFAOYSA-N 338.360 1.758 0 40 EDAB Cc1cccc(OCC(=O)N2CC[C@@H](Oc3ncc(F)cn3)C2)c1 390829079 WMVZEZSWLISPQJ-OAHLLOKOSA-N 331.347 1.983 0 40 EDAB O=C([C@@H]1CCOC1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575404472 CUOLQARVEUCYHC-ZBFHGGJFSA-N 327.384 1.709 0 40 EDAB COC(=O)COc1cc2oc(=O)cc(C)c2cc1OCC(=O)OC 141721538 NLPAUZPNDKLVQD-UHFFFAOYSA-N 336.296 1.205 0 40 EDAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)N3CCOCC3)C2)cc1 585272329 NFDXGGWESKYOKB-IBGZPJMESA-N 348.443 1.060 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)CCc2cc(O)no2)C1 585276156 KMOMHAIBWUITPB-SFHVURJKSA-N 346.383 1.664 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)c2ccc(OCC(C)C)cc2)[C@@H]1O 585285340 OIGYHVFYPSPYPS-OIISXLGYSA-N 337.416 1.474 0 40 EDAB CN(Cc1ccccc1)C[C@H](O)Cn1cnc2ccsc2c1=O 65515335 BERJQNXQWRZDHR-AWEZNQCLSA-N 329.425 1.951 0 40 EDAB Cc1nc(-n2cccc2)sc1C(=O)N1CC(Nc2cnccn2)C1 828231286 MROCCJOSIJKHPU-UHFFFAOYSA-N 340.412 1.969 0 40 EDAB COCCN1CC[C@@H](CNC(=O)CSc2cccc(OC)c2)C1 68492754 IEHHBAXRDLMSIV-AWEZNQCLSA-N 338.473 1.872 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)no1 72299140 QLLSMFZJDRDHGU-QWHCGFSZSA-N 332.404 1.554 0 40 EDAB O=C(c1ccnc(-n2ccnc2)c1)N1CCN(c2nccs2)CC1 58061964 SXXCQGRZKWUZBT-UHFFFAOYSA-N 340.412 1.686 0 40 EDAB Cc1cc(C)c(CNC(=O)c2csc(-c3cnn(C)c3)n2)c(=O)[nH]1 75117738 KBFRCMMKXYUVCW-UHFFFAOYSA-N 343.412 1.779 0 40 EDAB CN(C)CCOc1cccc(CNC(=O)c2ccn(C)c(=O)c2)c1 56891132 FFWTZVNPVCITEA-UHFFFAOYSA-N 329.400 1.256 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)NCCc1cccc(C(N)=O)c1 76061720 AXWADKFZOHNAPQ-UHFFFAOYSA-N 336.388 1.754 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2ccon2)C1 84671374 IHHMDOGHJBAHKU-CQSZACIVSA-N 331.376 1.558 0 40 EDAB Cc1ccnc(-n2cc(S(=O)(=O)N3C[C@H](C)OC[C@@H]3C)cn2)c1 89701857 XFNUOMFJHMQCET-STQMWFEESA-N 336.417 1.374 0 40 EDAB CN1C[C@H](C(=O)N2CCC(OCCc3ccccc3)CC2)CC1=O 95956150 WYACJJOQRKWKPX-MRXNPFEDSA-N 330.428 1.715 0 40 EDAB C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(Br)cc1N 94043456 CLSSQGMFTBBPGI-VIFPVBQESA-N 340.221 1.772 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccc(=O)n(C)c1)c1ccc2c(c1)OCO2 12203840 RMYRVJVFHKTRRO-CQSZACIVSA-N 343.383 1.147 0 40 EDAB C[C@H](S[C@]1(C)OC(=O)c2ccccc2O1)C(=O)NCC(=O)O 13889554 DXSXAJGKYKXYMX-RTHLEPHNSA-N 325.342 1.232 0 40 EDAB in-man Cc1nc(CC(=O)N2CCO[C@H](C(=O)Nc3ccccc3)C2)cs1 19747630 STSXTWBMONSKKF-HNNXBMFYSA-N 345.424 1.860 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)CCc3c(C)noc3C)C2)nn1 225433669 WUEAAMWJMWXMHW-CYBMUJFWSA-N 346.387 1.703 0 40 EDAB COc1ccnc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)n1 1888859294 ITHLUJSJGCABBO-QWRGUYRKSA-N 346.366 1.001 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2ccnn2C)C3)nc1 1888869448 ROVDVIYCNDNURF-KBXCAEBGSA-N 341.415 1.840 0 40 EDAB Cc1cc(N2CCN(c3cnccn3)CC2)nc(N2CCCC2)n1 1889077242 SHONXHQDLDAVDI-UHFFFAOYSA-N 325.420 1.502 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)Oc1ccc(-n2cnnn2)cc1 14790946 MACPAMMFMVBBCX-UHFFFAOYSA-N 347.338 1.771 0 40 EDAB Cc1nc(C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)no1 41628808 NWQYSAICXGGBEX-UHFFFAOYSA-N 326.378 1.731 0 40 EDAB COc1ccc(S(=O)(=O)N2CCCNCC2)cc1Br 37463938 VNYZRRSKAZOGTL-UHFFFAOYSA-N 349.250 1.442 0 40 EDAB Cc1ccccc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1 245060666 PUMVJDGMXVCCFG-UHFFFAOYSA-N 330.384 1.897 0 40 EDAB Cc1cncc(C(=O)N2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)c1 2037984601 GTIRRKHAGUUIEY-GOSISDBHSA-N 331.416 1.490 0 40 EDAB COc1cnc(O[C@H]2CCN(c3cc(=O)n4ccccc4n3)C2)nc1 2087035488 SOAKGKSBYPLXDJ-LBPRGKRZSA-N 339.355 1.151 0 40 EDAB O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)c1ccco1 10691067 DSFYEKGAHFCDDF-UHFFFAOYSA-N 333.325 1.889 0 40 EDAB CS(=O)(=O)N1C[C@@H]2CCN(C(=O)CCc3ccccc3F)[C@@H]2C1 1849040161 DYLGTMGZSOCSAJ-DZGCQCFKSA-N 340.420 1.251 0 40 EDAB Cc1cccc(S(=O)(=O)NCCOc2ccc3nnc(C)n3n2)c1 13846064 WYEIMSIUFZWZTI-UHFFFAOYSA-N 347.400 1.098 0 40 EDAB Cc1ccc(C(=O)N2CCC(C(=O)N(C)C)(n3cccn3)CC2)cn1 2055772809 HJUXKAIQUFSHOA-UHFFFAOYSA-N 341.415 1.306 0 40 EDAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)NC1=NCCS1 23127329 ZJJNOBRRJRYZGV-UHFFFAOYSA-N 331.353 1.832 0 40 EDAB CN(C1CCN(c2ncc(Cl)cn2)CC1)S(=O)(=O)C1CC1 2086889245 VRKGLZCURBBIHP-UHFFFAOYSA-N 330.841 1.523 0 40 EDAB CC(C)n1cnc(S(=O)(=O)NC[C@H](c2ccco2)n2cccn2)c1 575613390 GUPGNLFSKHNIIR-CYBMUJFWSA-N 349.416 1.821 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@](C)(O)Cc2ccco2)c(C)c1 206618640 CMXOWYPQGOBIEO-MRXNPFEDSA-N 339.413 1.869 0 40 EDAB Cc1cc(C)c2ccc(N3CCC[C@@H](NS(C)(=O)=O)C3)nc2n1 2298208944 YDMJQFKJYQBZIQ-CYBMUJFWSA-N 334.445 1.765 0 40 EDAB CC(C)(CO)NC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 75163734 DELNTCVSSQOEDI-UHFFFAOYSA-N 345.281 1.062 0 40 EDAB NC(=O)c1ccc(N2CCC(n3cc(-c4ccccn4)nn3)CC2)nc1 20209814 IOAGBXFAUGVZPF-UHFFFAOYSA-N 349.398 1.676 0 40 EDAB COc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)cn1 31544861 QOGCNUBHBVSNNQ-NSHDSACASA-N 339.355 1.367 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCn2c(C)csc2=O)n1 40541179 URCRJVARJWCGBE-LLVKDONJSA-N 336.461 1.874 0 40 EDAB CN(C)c1ncccc1C(=O)NC1CCN(c2ncccn2)CC1 40548731 JVTBWMUYOIZBBW-UHFFFAOYSA-N 326.404 1.336 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1Br 20943751 MVDCKTSDETYFEC-GFCCVEGCSA-N 341.205 1.313 0 40 EDAB C[C@H]1Oc2ccccc2N(CC(=O)NCCc2ccccn2)C1=O 32657254 BXTGLSWVBPUEBC-CYBMUJFWSA-N 325.368 1.554 0 40 EDAB C[C@H](C(N)=O)S(=O)(=O)Cc1csc(COc2ccccc2)n1 52438913 GEBORDQWJSOPAD-SNVBAGLBSA-N 340.426 1.511 0 40 EDAB Cc1noc([C@H](C)N2CCN(CCNC(=O)c3ccco3)CC2)n1 32804113 OMEPWKUSIVMVQQ-LBPRGKRZSA-N 333.392 1.080 0 40 EDAB Cc1cccc2nc(C(=O)NC[C@H](C(C)C)N3CCOCC3)cn12 41934453 VUDIEPWMXVOFSS-MRXNPFEDSA-N 330.432 1.729 0 40 EDAB CCn1c(=O)c2c(nc(SCCc3ccccc3)n2C)n(C)c1=O 887127 LXEZBSDIYWYNQB-UHFFFAOYSA-N 344.440 1.788 0 40 EDAB Cc1c[nH]c(=O)n1-c1cccc(NC(=O)c2nccn3ccnc23)c1 78965859 CIBBJZNEPOWFSB-UHFFFAOYSA-N 334.339 1.769 0 40 EDAB Nc1cc(=O)n(Cc2ccccc2)c(N)c1C(=O)NCc1ccccc1 1585915 ARUROLIWAHYIST-UHFFFAOYSA-N 348.406 1.991 0 40 EDAB Cc1nc(CNC(=O)c2ccccc2I)no1 6234706 WHYSCDPCYNKWBT-UHFFFAOYSA-N 343.124 1.913 0 40 EDAB Cn1cc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c(C(C)(C)C)n1 97033918 ONQQESCNKGEPQY-MRXNPFEDSA-N 348.491 1.931 0 40 EDAB C[C@H](CNC(=O)[C@@H](C)OC(=O)c1nccnc1N)c1ccccc1 24794560 STACVBWTNBIGPR-VXGBXAGGSA-N 328.372 1.524 0 40 EDAB Cc1ccc(=O)n(CCNC(=O)C2(c3ccccc3)CCOCC2)n1 56903690 DSQVBBHZXRLPSB-UHFFFAOYSA-N 341.411 1.416 0 40 EDAB CN1CCO[C@@H](CNC[C@@H](O)c2ccc(Br)cc2)C1 106908556 LCCRUAIGTQBCRT-UONOGXRCSA-N 329.238 1.403 0 40 EDAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)C2CCCCC2)C1 56073117 BVTOFEQNYKPLGU-ZDUSSCGKSA-N 347.481 1.706 0 40 EDAB O=C(O)CCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 35122394 MPLRRJSCIWUDOS-UHFFFAOYSA-N 332.809 1.121 0 40 EDAB O=C1COc2ccc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc2N1 56952222 HKYFDBFLTCUWJO-CYBMUJFWSA-N 342.355 1.645 0 40 EDAB CS(=O)(=O)NCCN1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 108126344 XBOBPLOWVFSHJN-HUUCEWRRSA-N 330.425 1.263 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccccc32)C1 35524841 LCCPHAIIFTUNKS-ZDUSSCGKSA-N 346.383 1.214 0 40 EDAB COc1ccc(C(=O)NC(=S)NCc2cccnc2)c(OC)c1 59294622 LPADCUFBOYXBPU-UHFFFAOYSA-N 331.397 1.903 0 40 EDAB CC(C)(CO)NC(=O)NC[C@H](c1cccs1)N1CCOCC1 48235523 RMXOAUCQAQHYKR-GFCCVEGCSA-N 327.450 1.192 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cn2cncn2)cc1 44955786 JCCGGVGHSLMFCN-HNNXBMFYSA-N 329.404 1.217 0 40 EDAB Cc1ccc([C@@H](CNC(=O)NCCn2ccnc2)N2CCOCC2)o1 44966632 UXVJOOHRZSZWJM-OAHLLOKOSA-N 347.419 1.157 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCCCn1cccn1 44968387 NTYGTKGJVWGZNA-AWEZNQCLSA-N 330.388 1.755 0 40 EDAB COc1ccc(OC)c(C(=O)N[C@@H](C)C(=O)NCc2ccco2)c1 58305229 QKGWISRGZPUNTO-NSHDSACASA-N 332.356 1.732 0 40 EDAB Cc1cc([C@H]2CCCN(Cc3cc(=O)n4nc(C)sc4n3)C2)n[nH]1 95402736 ZTJYSHIYNCVCFT-LBPRGKRZSA-N 344.444 1.871 0 40 EDAB Cc1nc(CN2CCC[C@@H](NCc3cn4ccccc4n3)C2)no1 72234590 YNMMKAIPFYGYHV-CQSZACIVSA-N 326.404 1.780 0 40 EDAB CN(CCNC(=O)NCC1(N(C)C)CCOCC1)Cc1ccccc1 72283412 USPKMKCSTPKLDS-UHFFFAOYSA-N 348.491 1.528 0 40 EDAB COc1ccc(NC(=O)[C@H](C)Nc2cccc(OCC(N)=O)c2)cc1 28356793 XVEVMGYTQSRZPB-LBPRGKRZSA-N 343.383 1.998 0 40 EDAB CCc1cc(=O)n2nc(N3CCC[C@H](c4ccn[nH]4)C3)sc2n1 72274629 LDEDTJCSFVLYNQ-JTQLQIEISA-N 330.417 1.821 0 40 EDAB C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 72282366 FUCHASRHXNGOTR-GXTWGEPZSA-N 349.456 1.429 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N(Cc2cccnc2)C2CC2)cc1 48300614 BLZZUNYQNUPGGH-UHFFFAOYSA-N 345.424 1.795 0 40 EDAB C[C@@H](NC(=O)NC[C@@H](C)N1CCc2sccc2C1)c1nncn1C 48353956 MBQTXVFLDFWZLK-VXGBXAGGSA-N 348.476 1.684 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(F)cc3F)cnc21 11373194 GJVKVHLABGXWIV-UHFFFAOYSA-N 333.298 1.437 0 40 EDAB O=c1c2ccccc2nc(CN2CCOCC2)n1C[C@@H]1CCCCO1 48303346 SAAZOHXRDHNRLP-HNNXBMFYSA-N 343.427 1.798 0 40 EDAB Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)CC(N)=O)c1Cl 45744690 JFRYBKJBJCHWMX-UHFFFAOYSA-N 325.217 1.716 0 40 EDAB CN(C)C(=O)Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 48383449 CUSVJBCHXQUODK-GJZGRUSLSA-N 330.384 1.923 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c(OC)c1 72269055 KLGXKBVOFZCXOK-DLBZAZTESA-N 348.443 1.304 0 40 EDAB Cc1noc(CCCC(=O)N[C@@H](C)c2nnc3n2CCCCC3)n1 46779044 DGJKYDSFYOTDOO-NSHDSACASA-N 332.408 1.896 0 40 EDAB Cn1c(N2CCC[C@@H]2c2cccs2)nc2c1c(=O)[nH]c(=O)n2C 68659527 DDGYFHRTNYOTSF-SECBINFHSA-N 331.401 1.363 0 40 EDAB C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc(-n2cncn2)cc1 12975489 OGZMTOUDNDSKFP-NSHDSACASA-N 326.360 1.053 0 40 EDAB CCOC(=O)C[C@H](c1ccccc1OC)c1oc(CO)cc(=O)c1O 71283521 JHIDRFBJWIJKBS-CYBMUJFWSA-N 348.351 1.931 0 40 EDAB OCCn1ncc2c(NCc3nncn3-c3ccccc3)ncnc21 97199735 FDBDMLKNQIOMQW-UHFFFAOYSA-N 336.359 1.011 0 40 EDAB C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(OC(F)F)cc1 13006595 NECREWSXUXYDNI-ONGXEEELSA-N 333.356 1.900 0 40 EDAB CCn1nc(C(=O)N[C@@H]2CCc3nccn3C2)c2ccccc2c1=O 97197830 ZWILYHNSFLFLAV-GFCCVEGCSA-N 337.383 1.358 0 40 EDAB CCn1cnnc1CNS(=O)(=O)c1c(C)nn(CC(C)C)c1C 96009876 ZHBLMVIRJSQXFL-UHFFFAOYSA-N 340.453 1.246 0 40 EDAB Cc1cc(Cl)c(C(=O)NC[C@H](Cc2cnn(C)c2)C(N)=O)cc1C 96004590 TUPSDTGEWUSWQC-ZDUSSCGKSA-N 348.834 1.764 0 40 EDAB COCCc1noc(CN(C)C(=O)c2ccc3c(c2)N(C)CC3)n1 97108237 XBNJODFARORJES-UHFFFAOYSA-N 330.388 1.523 0 40 EDAB CC(=O)c1ccc(NS(=O)(=O)c2ccc3no[n+]([O-])c3c2)cc1 13728219 CVRSAEKXLUEULI-UHFFFAOYSA-N 333.325 1.465 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)Nc3cccc4nc[nH]c34)cc12 72301879 IKKOAVIXUXEIIQ-UHFFFAOYSA-N 342.384 1.954 0 40 EDAB Cc1cnccc1-n1nc(C2CC2)nc1C[C@H]1CCS(=O)(=O)C1 65381720 ZENXBAJCSLXYFY-GFCCVEGCSA-N 332.429 1.825 0 40 EDAB O=C(N[C@H]1CCN2CCCC[C@H]12)N[C@@H]1CCCc2c1cnn2CCO 65446556 VYNVAYNCXVXOEX-HLLBOEOZSA-N 347.463 1.179 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)Nc1ccc(-n2cccn2)nc1 65410829 PEMVUPTZMGQZHL-UHFFFAOYSA-N 346.391 1.914 0 40 EDAB COC(=O)C(C)(C)NC(=O)c1nnn(-c2ccccc2OC)c1C 65406114 PZILAWGLTQOHNX-UHFFFAOYSA-N 332.360 1.266 0 40 EDAB CCOc1cc2c(cc1CNC(=O)NCCCNC(C)=O)O[C@@H](C)C2 65449542 QIDICXFDAJTYOL-LBPRGKRZSA-N 349.431 1.734 0 40 EDAB COC[C@@H](O)CN(C)C(=O)N[C@H](c1ccccc1)c1nccn1C 65435101 MACHXCWJWKBWMS-LSDHHAIUSA-N 332.404 1.158 0 40 EDAB O=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)c1ccccc1F 65537014 GCOVFFVVKCJBQT-LBPRGKRZSA-N 344.433 1.416 0 40 EDAB C[C@H](OCC1CC1)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 65550604 XEVUDUWNJKKHJH-INIZCTEOSA-N 345.487 1.865 0 40 EDAB C[C@H](CNC(=O)[C@@](C)(c1ccccc1)N1CCCC1)N1CCOCC1 65517073 HOSOLYLLDONJRU-YLJYHZDGSA-N 345.487 1.835 0 40 EDAB CC(C)CCCNC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 65535686 BDEVVDZDWQHPRI-UHFFFAOYSA-N 334.420 1.850 0 40 EDAB Cc1cccc(N(CCC(N)=O)Cc2cc(=O)n3ccccc3n2)c1 65614748 RQAOYVXWSWIACS-UHFFFAOYSA-N 336.395 1.885 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccccc1Oc1ccccc1 14242482 MHYCNSLDZXAAQX-UHFFFAOYSA-N 337.335 1.968 0 40 EDAB O=C(COC(=O)c1ccc[nH]c1=O)Nc1ncc(Cl)cc1Cl 6589064 MUMZHGLJZZFZCU-UHFFFAOYSA-N 342.138 1.872 0 40 EDAB COC[C@]1(C)NC(=O)N(CC(=O)N[C@H](c2ccccc2)C2CC2)C1=O 66083246 MIDYPCXYMOOLHJ-QAPCUYQASA-N 345.399 1.211 0 40 EDAB COC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2cnnn2)c(C)c1 66286757 ZRHLNEBIWFAXKI-ZDUSSCGKSA-N 330.348 1.140 0 40 EDAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2nncn2C)c1 9428760 QEHWBOSRUDCKQU-UHFFFAOYSA-N 340.792 1.986 0 40 EDAB NS(=O)(=O)c1cc(C(=O)c2ccccc2C(=O)O)ccc1Cl 5846873 UKRADWWBRBBJLZ-UHFFFAOYSA-N 339.756 1.917 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc(O)c1)C2 306127296 FUOFMFBPJXTWPR-CYBMUJFWSA-N 339.413 1.058 0 40 EDAB CC(C)OCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 6938149 ZMXYYHKFUQYNDN-SFHVURJKSA-N 347.415 1.385 0 40 EDAB Cc1noc(C)c1CC(=O)N[C@H]1CCCN(c2cccnc2)C1=O 97372304 GLVYFSRETPKJMI-HNNXBMFYSA-N 328.372 1.541 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(c2ccccc2)CC1 7359702 LHCDWEPRRFKFHI-UHFFFAOYSA-N 348.410 1.689 0 40 EDAB CO[C@H](CNC(=O)N1CCNC(=O)[C@H]1C)c1ccc(Cl)cc1 80439780 GRTNXQKNCMFWHF-ZWNOBZJWSA-N 325.796 1.557 0 40 EDAB CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)Cc2cc(C)[nH]n2)cc1 90531974 XRIUWWOAQHUWIY-DGCLKSJQSA-N 336.461 1.908 0 40 EDAB CCS[C@H]1CCCCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 71899379 BJHLYTCLVWVDTN-KBPBESRZSA-N 348.534 1.935 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cc(C)cc3cn[nH]c23)CC1 71881882 WYCHVUFFOKSKIQ-HNNXBMFYSA-N 346.431 1.027 0 40 EDAB CC[C@H](C)[C@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)OC 71840037 PVSHXLVDVOWZPM-SJCJKPOMSA-N 348.399 1.506 0 40 EDAB Cn1cc(Br)cc1C(=O)NCc1nc(C(=O)O)cs1 90932533 NFUFBEYOXOPSIM-UHFFFAOYSA-N 344.190 1.872 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)Nc2cccc3c2OCCO3)C1 71854922 DBDCTRXOHBENKW-NSHDSACASA-N 335.360 1.810 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)CCc1ccncc1 71847395 HPPSXRFQPVUHBP-GFCCVEGCSA-N 329.322 1.684 0 40 EDAB C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1 8150672 IGUUPTGILIGYPB-RYUDHWBXSA-N 344.408 1.082 0 40 EDAB COCCNC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl 8105288 SVKJWKJFIVMCDD-UHFFFAOYSA-N 341.216 1.034 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@H]1Cn1nc(C)cc1C 70011483 QWCMEYYKRMDSOS-IRXDYDNUSA-N 332.448 1.892 0 40 EDAB CCCc1cc(N2CCN(C3=NC[C@@H](C)S3)CC2)n2ncnc2n1 71922402 HYFPSOCMXSKAPY-GFCCVEGCSA-N 345.476 1.690 0 40 EDAB CN1CCN(C[C@@H](O)CN(C)C(=O)Nc2cc(F)cc(F)c2)CC1 71922282 AXXTXFUGDJLATO-HNNXBMFYSA-N 342.390 1.037 0 40 EDAB Cc1cnn(C[C@@H]2CN(C[C@H](O)COCc3ccco3)CCO2)c1 69452202 NQAARPKEPZRVDH-RDJZCZTQSA-N 335.404 1.063 0 40 EDAB Nc1nnc(CCCNC(=O)c2cccc(Cn3cccn3)c2)s1 91690788 CDMYVNPBHKZFQH-UHFFFAOYSA-N 342.428 1.728 0 40 EDAB Cc1nnc([C@@H](C)N2CCN(c3ccc4nncn4n3)[C@H](C)C2)o1 69510114 LAKDWATZFACLJQ-GHMZBOCLSA-N 328.380 1.087 0 40 EDAB COCC[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 69531501 ULLPVLLQVOQMTC-GFCCVEGCSA-N 343.449 1.920 0 40 EDAB CN(C)C(=O)C1CCN(CCCc2nnnn2-c2ccccc2)CC1 69529593 FWCTZUFOGUHJBS-UHFFFAOYSA-N 342.447 1.395 0 40 EDAB CN(C)C[C@H]1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)C1 69658310 LIXSQNRKNHKYIG-CQSZACIVSA-N 344.459 1.401 0 40 EDAB c1cnnc(N2CCC[C@H](NCc3ccc(-n4cncn4)cc3)C2)c1 69741903 CEZWLSMDGPXPDS-INIZCTEOSA-N 335.415 1.816 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 69737103 FDDAMYORYPAENF-OLZOCXBDSA-N 341.477 1.488 0 40 EDAB CC(C)Sc1ccc([C@H](C)NC(=O)C[C@H]2NC(=O)NC2=O)cc1 69772626 VWRITZLZJPPGJX-GXFFZTMASA-N 335.429 1.962 0 40 EDAB CCOC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 69775088 CYJFMJTYSCKLMF-UHFFFAOYSA-N 326.418 1.982 0 40 EDAB Cc1ncsc1CCN1CCO[C@H](CN(C)c2cccnn2)C1 84065690 SWJFNLNLCYQWBC-CQSZACIVSA-N 333.461 1.621 0 40 EDAB CCC[C@H](C)CC(=O)NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 69810994 ZINIOAUNWQXMDU-NSHDSACASA-N 347.458 1.721 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCO[C@H](CN(C)C)C1 69808373 HMZUPEKNUKMPLB-RRFJBIMHSA-N 337.468 1.444 0 40 EDAB CC(=O)NCCCN(C)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 69967441 KTLFDFYWZWULHA-ZDUSSCGKSA-N 337.445 1.337 0 40 EDAB O=C(NCc1nnc2ccccn12)c1c[nH]c2ccc(F)cc2c1=O 95477913 DDELXDCDPNFLTA-UHFFFAOYSA-N 337.314 1.640 0 40 EDAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CCOC[C@H]1C[C@H](C)O 545242889 GAFFWXFIXDTOIF-MELADBBJSA-N 335.400 1.560 0 40 EDAB CC(C)(C(=O)N1CC(n2cc(C(N)=O)nn2)C1)c1cccc(Cl)c1 95997857 VOFSNNLQYUVPPU-UHFFFAOYSA-N 347.806 1.392 0 40 EDAB Cn1c(CN2CCC(Cn3ccnn3)CC2)nnc1-c1ccccc1 95973434 XWRMEHXZGYUQHW-UHFFFAOYSA-N 337.431 1.986 0 40 EDAB O=C(Cc1ccon1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 95976934 DGJVTZVJHQEBMC-DOTOQJQBSA-N 329.400 1.216 0 40 EDAB COC(=O)C(C)(C)NC(=O)c1cc(I)c[nH]1 89621080 MXZVOMYVCGNNKY-UHFFFAOYSA-N 336.129 1.301 0 40 EDAB O=S(=O)(c1c(Cl)cccc1Br)N1CC(CO)C1 252484687 GERFEIVUKNTOSS-UHFFFAOYSA-N 340.626 1.715 0 40 EDAB Cc1cc(N2CCC[C@@H](OC(=O)c3ccn(C)c(=O)c3)C2)nc(C)n1 66732528 ICFTWEAATSAZAZ-OAHLLOKOSA-N 342.399 1.618 0 40 EDAB O=C(CCN1CCN(C[C@@H](O)c2ccccc2)CC1)N1CCCCC1 69667416 MHGFBXMSTIGGBX-LJQANCHMSA-N 345.487 1.740 0 40 EDAB O=C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCCCC1 35598327 IQQVSPUVVBIUGI-UHFFFAOYSA-N 341.459 1.693 0 40 EDAB O=C(O)CCNC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O 71281412 MRJGUJWRZIMLOX-UHFFFAOYSA-N 335.747 1.155 0 40 EDAB NC(=O)CN1CCO[C@@H](COc2ccccc2Br)C1 217496423 UKEJGEJEUYMQBN-SNVBAGLBSA-N 329.194 1.014 0 40 EDAB CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 47400058 CYWCLPHXOCUODP-DZGCQCFKSA-N 346.383 1.505 0 40 EDAB CC(C)[C@H](CNC(=O)NC[C@@H]1CN(C)CCN1C)c1ccccc1 78924887 ZEVXZVOBTBILDE-MSOLQXFVSA-N 332.492 1.971 0 40 EDAB O=c1c(I)cc(F)cn1CCOCC(F)F 189352856 VVTMBOSTXVCYNK-UHFFFAOYSA-N 347.074 1.874 0 40 EDAB Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CO3)C2)nn1 225429732 FNUGBVXZXUPRGM-SJORKVTESA-N 339.395 1.906 0 40 EDAB CC(=O)NCCNC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl 47718252 JFPZJIGVFDZBPV-QMMMGPOBSA-N 346.214 1.364 0 40 EDAB CN(C)c1ccnc(NC(=O)NC(C)(C)C(=O)NCC(C)(C)C)n1 225478335 LPARUANYUVYCLR-UHFFFAOYSA-N 336.440 1.605 0 40 EDAB COc1cccc(CCNC(=O)CN2CCC[C@@H]2c2noc(C)n2)c1 84280855 OKZWGDXOKXYHMN-MRXNPFEDSA-N 344.415 1.882 0 40 EDAB COc1cccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)c1 226744322 YWLDIZJOBZMNHZ-UHFFFAOYSA-N 336.369 1.360 0 40 EDAB CCCCn1nc(C)c(C(=O)N2CCC(C(N)=O)CC2)c1Cl 20901764 VGGCTXPWZUAUHR-UHFFFAOYSA-N 326.828 1.983 0 40 EDAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc([C@@H]2CCCO2)nn1C 333057781 RUKAENPKDUXQFD-AAEUAGOBSA-N 345.407 1.828 0 40 EDAB C[C@@H](NC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1ccncc1 192143699 LIGIAONHZYEVNT-MRXNPFEDSA-N 345.491 1.812 0 40 EDAB O=C(NCc1cnc2n1CCN(c1ncc(F)cn1)CC2)C1CCC1 96197063 HNAQFVJRHPHBKE-UHFFFAOYSA-N 344.394 1.291 0 40 EDAB O=C(c1ccccn1)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96202270 YZVRXQQXMAEOGM-LJQANCHMSA-N 338.411 1.846 0 40 EDAB CCCS(=O)(=O)N1C[C@@H]2COC[C@]2(CNc2ccccn2)C1 96218408 YYEOVJPOXHIREK-HIFRSBDPSA-N 325.434 1.182 0 40 EDAB CCC(=O)N1CCC2(CC1)O[C@@H](C(=O)N1CCCC1)Cn1ccnc12 96243703 LOHJUIIBQHJDJA-CQSZACIVSA-N 346.431 1.132 0 40 EDAB C[S@@](=O)CCNC(=O)NCCc1ccc(OC(F)(F)F)cc1 96408753 FUUOOAJWXLTIEQ-QFIPXVFZSA-N 338.351 1.805 0 40 EDAB CC(C)(C)C(=O)NCCC(=O)NC[C@]1(O)CCCc2ccccc21 96427020 AMKWWZOXLYCCNX-LJQANCHMSA-N 332.444 1.879 0 40 EDAB Nc1cc(N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)ncn1 91444958 QRQVLBMSCXXHAU-KRWDZBQOSA-N 331.420 1.057 0 40 EDAB Cc1cccnc1NC(=O)CCNS(=O)(=O)Cc1ccccc1 583650985 CNCBRFSEHZCSOM-UHFFFAOYSA-N 333.413 1.838 0 40 EDAB Cn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)O 98086493 JNMNSXPNOSAQIA-UHFFFAOYSA-N 335.385 1.744 0 40 EDAB NC(=O)[C@@H](NC[C@H]1CCOC1)c1ccc(Br)cc1F 96437014 MECLPLOUBUZSST-PELKAZGASA-N 331.185 1.741 0 40 EDAB C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H](C)n1cncn1 95400532 NMHYCCVSTYDCJT-UXLLHSPISA-N 343.431 1.245 0 40 EDAB CC(C)[C@H](NC1CCOCC1)C(=O)N[C@H]1CCN(C2CCCC2)C1 96436391 FBXRACCNJCCJQQ-WMZOPIPTSA-N 337.508 1.913 0 40 EDAB COc1cc(N2CCC3(CC2)C[C@@H](Nc2cnn(C)c2)CO3)ncn1 96074212 ZGBKTIFCJWFATC-CYBMUJFWSA-N 344.419 1.459 0 40 EDAB Cn1cncc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 584378492 LZCIGLFKVFQSGZ-FZKQIMNGSA-N 341.415 1.950 0 40 EDAB COc1ccc(-c2nn([C@@H](C)C(=O)NC3CC3)c(=O)cc2OC)cc1 96101033 QBWJYGWEDVGZAC-NSHDSACASA-N 343.383 1.767 0 40 EDAB O=C(c1cscn1)N1CC2(C[C@@H](Oc3cccnc3)CCO2)C1 247874071 SHDHXIUQPSQYDX-LBPRGKRZSA-N 331.397 1.991 0 40 EDAB C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NCC2CS(=O)(=O)C2)C1 585137593 ICDFORXSPCPNDZ-STQMWFEESA-N 345.509 1.087 0 40 EDAB CC(=O)N1[C@@H](CNC(=O)c2ccncc2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257273517 NGXMSEGOFROCIZ-VXIBKDFQSA-N 345.443 1.742 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1 257227789 FQWONWJCZOFJNW-MRXNPFEDSA-N 343.431 1.668 0 40 EDAB CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)C1(c2ccccc2)CCCC1 257299860 RRYRGPWMMUVRAY-CVEARBPZSA-N 329.444 1.291 0 40 EDAB CC(=O)N1[C@@H]2CN(C(=O)Cn3nc(C)cc3C)[C@@H]3CCC[C@H]1[C@]3(C)C2 257259703 KZOYWVFCNCHQRK-MJQMVNBJSA-N 344.459 1.890 0 40 EDAB CCc1nccn1CCC(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257319975 VUVCALFZUUSYEO-IIDMSEBBSA-N 334.464 1.282 0 40 EDAB NCCCCC(=O)N1C[C@H](O)[C@H](Cc2ccnc3cccnc23)C1 257306930 SWPQWTSOKBRHDP-ZBFHGGJFSA-N 328.416 1.121 0 40 EDAB O=C(N[C@@H]1CCCNC1=O)c1cncc(Cc2ccccc2F)c1 257227326 FOTSKLNHPKYRRZ-MRXNPFEDSA-N 327.359 1.820 0 40 EDAB CN(CC(=O)N1CCC[C@H](c2ccnc(O)n2)C1)Cc1cccnc1 257271790 MZUNGKXNPRJBOA-HNNXBMFYSA-N 341.415 1.415 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1 257288853 PVZDACGUETYFKC-OAHLLOKOSA-N 345.403 1.065 0 40 EDAB CC(=O)n1ccc2cc(C[C@@H]3COCCN(CC(N)=O)C3)ccc21 257283602 OYZCFURYQJCWFM-HNNXBMFYSA-N 329.400 1.278 0 40 EDAB Cc1nc([C@@]2(C)CCCN(C(=O)C(C)C)C2)nc2c1CC(=O)N2C 257296589 RDLLYIMTQQFGQR-SFHVURJKSA-N 330.432 1.840 0 40 EDAB CN[C@@H]1CO[C@@H]2CCN(C(=O)Cc3ccsc3)C[C@@H]2C[C@@]1(C)O 257334565 YGLXMMLEUIGDDJ-KLZNWCGWSA-N 338.473 1.267 0 40 EDAB COc1cccc(S(=O)(=O)N2CCO[C@@H](c3nc(C)c[nH]3)C2)c1 257253477 JZBNVIJUQNPGPE-CQSZACIVSA-N 337.401 1.489 0 40 EDAB O=C(O)C[C@H](O)CNC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1 1601910792 NIQBWBOHWUOWSS-ZETCQYMHSA-N 346.261 1.632 0 40 EDAB CN(C)c1ccnc(NC(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)n1 262973134 ATFHUAMQJDCMTG-HTQZYQBOSA-N 347.297 1.269 0 40 EDAB C[C@H]1CN(Cc2ccccc2NC(=O)N2CC=C(N)N2)C[C@H](C)O1 1615002054 ZZSHYUCCYFEZSL-STQMWFEESA-N 331.420 1.448 0 40 EDAB O=C(c1ccoc1)N1CCN(C(=O)[C@@H]2CCc3cccc(O)c32)CC1 1615599508 XABKADLYOWBQPW-OAHLLOKOSA-N 340.379 2.000 0 40 EDAB CCOC(=O)[C@H](O)[C@H](C)NC(=O)CCc1cccc(OC(F)F)c1 1615586181 KFDNSFMAYPBMOT-IINYFYTJSA-N 345.342 1.649 0 40 EDAB COc1ccc(CCNC(=O)C(=O)NCCc2ccccn2)cc1 298127311 CYVKFJXFWRMOLJ-UHFFFAOYSA-N 327.384 1.108 0 40 EDAB Cc1ccc(C[C@]2(CO)CN(C(=O)Cc3ccncc3)CCO2)cc1 585279404 YTTNXVZJMUHSSH-HXUWFJFHSA-N 340.423 1.765 0 40 EDAB COc1cccc(CN(C)C(=O)C[C@@]2(CO)CCCN2C(C)=O)c1 585280992 RGUIOAXODOYEDG-GOSISDBHSA-N 334.416 1.417 0 40 EDAB CC(=O)N1C[C@H](CC(=O)N2CCC(c3ccccn3)CC2)[C@@H](O)C1 585279908 HFSZAGVUCQYQQQ-RDJZCZTQSA-N 331.416 1.017 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCO[C@H](Cn2cccn2)C1 69376470 AMDIUYPDTVKLJH-CABCVRRESA-N 346.435 1.389 0 40 EDAB O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc2[nH]nnc2c1 71900341 VWZMHXBXJUVISM-ZDUSSCGKSA-N 339.330 1.632 0 40 EDAB CCOC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1 37200146 WJMRZTCOMKIUOB-IIAWOOMASA-N 337.416 1.712 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCC(=O)c1ccc(N)cc1 72312560 CQTLGBDJKPNMIY-SNVBAGLBSA-N 335.360 1.009 0 40 EDAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N[C@@H]1CCCNC1=O 78973252 OSANPEPWLUSMKY-CQSZACIVSA-N 347.806 1.985 0 40 EDAB Cc1nc(CNC(=O)NC[C@H](C)CN2CCOCC2)sc1C 74371140 QXYXQUYWXJEWDM-NSHDSACASA-N 326.466 1.527 0 40 EDAB CC(C)[C@H]1CN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CCS1 74656301 FBRRCYYPKXRKAU-HZPDHXFCSA-N 342.553 1.653 0 40 EDAB CCCc1n[nH]c([C@H]2CN(Cc3nnc(C4CCC4)o3)CCO2)n1 76049579 DUQARFMKMBZOHO-GFCCVEGCSA-N 332.408 1.981 0 40 EDAB COc1ccc(C2=CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 40542384 KZACLVIQUCNHMN-OAHLLOKOSA-N 335.425 1.746 0 40 EDAB CCOC(=O)[C@@H]1CO[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1=O 95698582 CUSCLGOLBQLHIM-QJPTWQEYSA-N 327.377 1.391 0 40 EDAB in-vitro Cc1cc(N2CCOCC2)nc(CNC(=O)c2sc(C)nc2C)n1 96120910 KONXLBRDRRRGAI-UHFFFAOYSA-N 347.444 1.625 0 40 EDAB COc1cccc(C(=O)N2CCCN(C[C@@H](O)C(F)(F)F)CC2)c1 97378059 JCIMLGXRCGQZQU-CQSZACIVSA-N 346.349 1.766 0 40 EDAB CC(C)C[C@H](CNC(=O)[C@H]1CCCO1)CC(=O)O[C@@H]1CCOC1 585130322 MWCHJQAXQGBSSQ-RRFJBIMHSA-N 327.421 1.666 0 40 EDAB COCC(=O)Nc1c2c(nn1-c1ccccc1C)CS(=O)(=O)C2 5078011 BOHYXNOIRWRLTC-UHFFFAOYSA-N 335.385 1.194 0 40 EDAB Cc1ccnn1[C@@H](C)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19238287 ITKMDYGAVAMXGU-XJKSGUPXSA-N 340.431 1.552 0 40 EDAB O=C(CCn1ccnc1)N1CCc2nc3ccccc3c(=O)n2CC1 19375962 UTDMBKYJIVIGFT-UHFFFAOYSA-N 337.383 1.068 0 40 EDAB Cc1c(CN2CCC[C@@H](c3cc(C(=O)NC4CC4)on3)C2)cnn1C 19553660 WBVVIENSVXNXMB-CYBMUJFWSA-N 343.431 1.988 0 40 EDAB CNC(=O)c1cnc(C)nc1CCNC(=O)COc1ccc(F)cc1 19695701 LHFDJQKKXYFKRU-UHFFFAOYSA-N 346.362 1.021 0 40 EDAB Cc1nc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)ncc1C(N)=O 19758172 ARGLKLNIEZZLFK-ZDUSSCGKSA-N 342.374 1.582 0 40 EDAB NC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCCC2 19911514 BHTNEIQFRWKSRZ-UHFFFAOYSA-N 337.445 1.387 0 40 EDAB CCOCCC(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1 585127872 LLCGYPBHPZQFDP-HSZRJFAPSA-N 341.433 1.766 0 40 EDAB COc1cccc(CNC(=O)CN2CCN(c3nccs3)CC2)c1 21335623 SJPHPCPYAUGUQO-UHFFFAOYSA-N 346.456 1.590 0 40 EDAB O=C1CC[C@@H](C(=O)N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)CN1 1888843471 ZTTPYNPQWPSYJK-TZMCWYRMSA-N 344.415 1.108 0 40 EDAB CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(Br)s1 333914969 MPAKZZRZVJZRML-NKWVEPMBSA-N 342.236 1.203 0 40 EDAB CCCNC(=O)Cn1cnc2c(nnn2-c2cc(C)cc(C)c2)c1=O 4341853 JDVVSFSJBKGOLK-UHFFFAOYSA-N 340.387 1.120 0 40 EDAB Cn1cccc1[C@@H](CNC(=O)C(=O)NC1CCCC1)N1CCCC1 11898183 LKDZKASSTYXTMO-MRXNPFEDSA-N 332.448 1.337 0 40 EDAB CCn1cc(CN2CCC(C(=O)N3CCC3)(n3cccn3)CC2)cn1 2055772929 YRCMEOJPSYNZSE-UHFFFAOYSA-N 342.447 1.323 0 40 EDAB CCn1cc(CN2C[C@H]3CN(Cc4csc(C)n4)C(=O)[C@H]3C2)cn1 2055772385 DZTXXGTXQHBWSU-HOCLYGCPSA-N 345.472 1.758 0 40 EDAB O=C(/C=C/c1ccccc1)NCCNc1cc(-n2cccn2)ncn1 23144408 DCCCSNWBAZRVJF-BQYQJAHWSA-N 334.383 1.904 0 40 EDAB O=C(NCc1cccs1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 575618014 GNMDGUJTDNBVIZ-LLVKDONJSA-N 343.416 1.264 0 40 EDAB O=C(NCc1ccccc1)C(=O)NC[C@@](O)(c1ccccc1)C1CC1 70968439 FMJWLYQNWZRTKY-HXUWFJFHSA-N 338.407 1.717 0 40 EDAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)O)CC1)CC2=O 72328076 LRKYFZDNGAIXMR-ZMZPIMSZSA-N 347.367 1.885 0 40 EDAB NC(=O)[C@H]1CN(C(=O)COc2ccc(F)cc2F)c2ccccc2O1 29424529 RVSBFPUAMJUKBC-OAHLLOKOSA-N 348.305 1.623 0 40 EDAB CCCn1nc(C(=O)N2CCN(Cc3ccsc3)CC2)ccc1=O 30541236 UBSOWUFEZHLTSZ-UHFFFAOYSA-N 346.456 1.673 0 40 EDAB CCn1c(=O)n(CC(=O)N[C@H](C)Cn2cccn2)c2ccccc21 31397525 WXBFQORYHOYGCW-CYBMUJFWSA-N 327.388 1.224 0 40 EDAB Cc1nc(-c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2)no1 40468912 JEBPSDPXOQUTCO-UHFFFAOYSA-N 344.371 1.148 0 40 EDAB CN(C)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cn1 40487633 HCGBKPBTUCZQDH-AWEZNQCLSA-N 327.388 1.366 0 40 EDAB O=C(c1cccnc1)N1CCN(c2ncc(Br)cn2)CC1 40525156 CMAGLPICNKTQJC-UHFFFAOYSA-N 348.204 1.597 0 40 EDAB O=C(NCCN1CCOCC1)c1cc(-c2ccccc2Cl)[nH]n1 40511095 ZJMTZRDEKQFHMK-UHFFFAOYSA-N 334.807 1.792 0 40 EDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@@H]1COc2ccccc2C1 40553711 SHXFAJKUZFCACW-HOTGVXAUSA-N 338.411 1.813 0 40 EDAB O[C@@H](CN1CCN(Cc2ccc(Cl)cc2)CC1)Cn1cccn1 51291510 WVZAVIHNWYCHBP-KRWDZBQOSA-N 334.851 1.715 0 40 EDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1 20716693 ITEPKBANCYTOQY-BONVTDFDSA-N 346.362 1.767 0 40 EDAB CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(O)[nH]c(=O)[nH]c2=O)N1 20759618 KNPAHWXDSMOWJB-RMLUDKJBSA-N 326.356 1.264 0 40 EDAB biogenic Cc1ccc(C)c(C(=O)CCC(=O)NCc2nnc(S)n2C)c1 103982885 FMNLFUMRKQUUTM-UHFFFAOYSA-N 332.429 2.000 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N(C)C[C@@H]1COc2ccccc2O1 47027692 NTHDVRPCFOUHHG-ZIAGYGMSSA-N 330.388 1.753 0 40 EDAB CCn1cnnc1CNC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 47020729 FJIZQNKPYCYIGC-HNNXBMFYSA-N 329.404 1.490 0 40 EDAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(=O)O)cc1 132770 LWTZMBMIRIWHJU-CYBMUJFWSA-N 328.328 1.828 0 40 EDAB CCCCN(C)S(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 75607000 KNPRJVDMGBWFCE-LBPRGKRZSA-N 335.470 1.562 0 40 EDAB CN1CCN(c2cc(CNC(=O)c3cc(C4CC4)on3)ccn2)CC1 61632820 YCPBJWRTQQMNPD-UHFFFAOYSA-N 341.415 1.629 0 40 EDAB C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 78917076 JRCOABZCWKLMGS-GHMZBOCLSA-N 340.374 1.102 0 40 EDAB Cn1c2ccccc2n2c(SCC(=O)NCC(F)(F)F)nnc12 79044889 CZUVEWYBMYIEEW-UHFFFAOYSA-N 343.334 1.992 0 40 EDAB O=C1[C@H](N2CCN(C[C@@H]3CCCCO3)CC2)CCN1c1ccccc1 79035309 WFTWTVYJHKPOTQ-RBUKOAKNSA-N 343.471 1.979 0 40 EDAB CN1C(=O)C(=O)N(CN2CCC[C@H]2c2nc3ccccc3s2)C1=O 23732807 RNYDCOWQDURCAS-NSHDSACASA-N 344.396 1.811 0 40 EDAB Nc1nc(CN2CCN(c3nccs3)CC2)nc2ccccc12 54635841 WDGFRMCYRNFJQM-UHFFFAOYSA-N 326.429 1.991 0 40 EDAB Nc1cc(N)nc(SCC(=O)N2CCN(c3ccccc3)CC2)n1 4413384 USISEYPXFXYIQT-UHFFFAOYSA-N 344.444 1.082 0 40 EDAB CCC[C@@H](N[C@@H](C)C(=O)N1[C@@H](C(=O)O)C[C@H]2CCCC[C@H]21)C(=O)O 6779240 ODAIHABQVKJNIY-RYMFRWLXSA-N 340.420 1.462 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 43050688 CGOGSIVFEXIDLT-CQSZACIVSA-N 342.399 1.406 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Br)cc1 7644933 GGJKQHVZBQSIKO-NXEZZACHSA-N 343.221 1.857 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O)c1C 12506168 WZTVCDXECCEDTN-OLZOCXBDSA-N 327.402 1.129 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccncc1 43184953 ZIZMRCPBHVTFON-UKRRQHHQSA-N 326.404 1.901 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(C)c1 55220257 YMHFURUWSZIITR-UHFFFAOYSA-N 327.402 1.531 0 40 EDAB Cn1nnc2c1[C@@H](COCc1ccccn1)CN([C@H]1CCOC1)C2 107723571 HFDXOIOBWDSANI-HIFRSBDPSA-N 329.404 1.115 0 40 EDAB CCS[C@@H]1CC[C@@H](NC(=O)N[C@H](C)CN2CCN(C)CC2)C1 107063943 FSCBUJJYGJGELN-RBSFLKMASA-N 328.526 1.596 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)NC[C@@H]1COCCO1 84687019 OQNHKNCVNVEGAG-RTXFEEFZSA-N 336.363 1.565 0 40 EDAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)NC[C@H]1CCCO1 57507932 XLLHENRCCNHZTD-LLVKDONJSA-N 343.408 1.906 0 40 EDAB Cc1noc(N)c1C(=O)OCC(=O)N[C@H](C)c1ccc2c(c1)OCO2 12693015 IUDMKMSMAXDURF-MRVPVSSYSA-N 347.327 1.328 0 40 EDAB COCCn1nc(C(=O)N2CCCc3cc(OC)ccc32)ccc1=O 44891644 GUOPYVYHGHYTHZ-UHFFFAOYSA-N 343.383 1.491 0 40 EDAB CC(C)(CO)NC(=O)NC[C@@H](c1cccs1)N1CCOCC1 48235521 RMXOAUCQAQHYKR-LBPRGKRZSA-N 327.450 1.192 0 40 EDAB CCOC(=O)NCC(=O)N(CC)CC(=O)Nc1ccc(OC)cc1 58231858 YADJSBQQSRKKBI-UHFFFAOYSA-N 337.376 1.228 0 40 EDAB Cc1noc([C@@H](C)NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)n1 58246312 DCVGMZGEDRBVSM-MNOVXSKESA-N 344.371 1.759 0 40 EDAB C[C@@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)c1cccnc1 44951369 GEHSCAVXHVSBMM-CQSZACIVSA-N 341.415 1.874 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)N(C)Cc2ccncc2)c1 44970133 BYQFDFVTQJVVMD-UHFFFAOYSA-N 348.428 1.331 0 40 EDAB CC(=O)N[C@@H](C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)C(C)C 44939153 RSRWBXYKMWQXFP-CXAGYDPISA-N 348.447 1.084 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(-c2nncn2C)c1 44977406 QBTQQZDKEVYARM-LLVKDONJSA-N 339.355 1.832 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CC(=O)N3CCCc4ccccc43)CCO2)n1 76048875 VZTAXBIMNBYDDN-INIZCTEOSA-N 341.415 1.466 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)CCc3nc(C(C)(C)C)no3)CCO2)n1 76045026 OBIQELOTJCEQFS-LLVKDONJSA-N 348.407 1.326 0 40 EDAB C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[S@](C)=O 76041477 YUQRQLZAJMJGKS-DYBLOJMWSA-N 334.235 1.711 0 40 EDAB CCCn1nc2c(cc1=O)CN(Cc1nc(-c3ccco3)no1)CC2 76064601 LVZGXFJFOLTSOZ-UHFFFAOYSA-N 341.371 1.855 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)C[C@H]2CCS(=O)(=O)C2)c1 58379947 NJXRFNCIODRXHQ-MRXNPFEDSA-N 338.473 1.579 0 40 EDAB Cc1nc(-c2ccc(CNC[C@@H](O)CN3CCOCC3)cc2)cs1 58327552 ASRFHPKVECAYIL-QGZVFWFLSA-N 347.484 1.901 0 40 EDAB CCc1nnc(Cn2c(-c3ccc(OC)c(OC)c3)noc2=O)o1 58324819 DIDHYHQNMPNXCK-UHFFFAOYSA-N 332.316 1.514 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)NC[C@@H](c1ccco1)N(CC)CC 58344069 GTAKQKPOAGFZCJ-KGLIPLIRSA-N 344.477 1.992 0 40 EDAB Cc1ccc(OC[C@@H](C)NC(=O)NCCNc2ncccn2)cc1 58431362 SGOQYOYCCWBKND-CQSZACIVSA-N 329.404 1.964 0 40 EDAB C[C@H](C(=O)NCCCC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O 58435002 UTWUVWOSJNWPHG-SNVBAGLBSA-N 346.836 1.608 0 40 EDAB CS(=O)(=O)c1ccc(Cl)c(NC(=S)NC(=O)C2CC2)c1 3356935 XKNHTLCKUKFGCG-UHFFFAOYSA-N 332.834 1.967 0 40 EDAB CS(=O)(=O)N[C@H]1CCOC2(CCN(Cc3cccs3)CC2)C1 108527109 RTJKXBQTJRZNLT-ZDUSSCGKSA-N 344.502 1.811 0 40 EDAB Cn1cc(C(=O)NC2CCN(C(=O)c3ccnc(Cl)c3)CC2)cn1 48343472 BADQVUKSHQYRBG-UHFFFAOYSA-N 347.806 1.503 0 40 EDAB Cc1cccc(-c2nnc(S)n2CC(=O)Nc2ccn(C)n2)c1 12884504 ADWFGCAXJANTJO-UHFFFAOYSA-N 328.401 1.914 0 40 EDAB CCOC(=O)CCCNC(=O)COC(=O)c1ccc(Cl)nc1 2633407 XMPHCHJSANIKJO-UHFFFAOYSA-N 328.752 1.351 0 40 EDAB O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 4085670 DMMAZPQZHAUUOG-SLEUVZQESA-N 332.381 1.332 0 40 EDAB biogenic Cc1noc2ncc(C(=O)NCC(C)(C)N3CCN(C)CC3)cc12 65378024 QJHJFNVHDITPOD-UHFFFAOYSA-N 331.420 1.287 0 40 EDAB CCn1cc(NC(=O)NC[C@H](O)c2cc(OC)ccc2OC)cn1 65423650 NYJWHORMMLJGFV-AWEZNQCLSA-N 334.376 1.775 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccn(-c2ccc(F)cc2)n1 65465707 ULZQUJWOYBGAPC-CYBMUJFWSA-N 325.347 1.953 0 40 EDAB C[C@H](NC(=O)N1CCCN(C)CC1)c1ccc2c(c1)CCC(=O)N2 65444300 XUFYLMRQCDHAOA-ZDUSSCGKSA-N 330.432 1.979 0 40 EDAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc2c(c1)OCO2 6533281 WCAMUJMKPQFPET-ZETCQYMHSA-N 333.373 1.489 0 40 EDAB Cc1cnn(CCN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 89702500 IRXGJRSMPYPWKG-CQSZACIVSA-N 336.461 1.793 0 40 EDAB CNC(=O)[C@@H](Sc1nc2cc(OC(F)F)ccc2[nH]1)C(C)=O 9421497 WLHNDJKJIJOJJC-JTQLQIEISA-N 329.328 1.960 0 40 EDAB Cc1ccc(C)c(C(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1 8011970 VGYLEMCNWQRLPK-LBPRGKRZSA-N 340.383 1.494 0 40 EDAB O=S(=O)(c1ccc(F)cc1F)N1CCC[C@@H](C2OCCO2)C1 69351726 HNMUVNJOEZPZQM-SNVBAGLBSA-N 333.356 1.738 0 40 EDAB CCNC(=O)C1(NS(=O)(=O)c2cncc(F)c2)CCCCC1 69384118 VBJQTDQZBDOLAL-UHFFFAOYSA-N 329.397 1.338 0 40 EDAB O=C(Cn1nnc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 8345535 YZHLIVAIPCMFLZ-UHFFFAOYSA-N 339.374 1.919 0 40 EDAB CCOc1ncccc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 69461454 YUSUBOVZPPJLCH-OAHLLOKOSA-N 348.447 1.153 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCN(CC(=O)NC3CCCC3)CC2)n1 69442789 SCBRKBVFKSKAAG-CQSZACIVSA-N 349.479 1.930 0 40 EDAB CCCc1cc(NC[C@@H]2CCc3nnc(CC)n3C2)n2ncnc2n1 69570384 AIJPSUBFEWDUKL-LBPRGKRZSA-N 340.435 1.905 0 40 EDAB O=C(O)[C@H]1CCC(=O)N(CCNc2ncccn2)[C@@H]1c1ccccc1 69571189 KRXORSUKTQANBJ-GOEBONIOSA-N 340.383 1.953 0 40 EDAB COc1cccc(NC(=O)N2CCN([C@H](C)C(=O)NC(C)C)CC2)c1 69516954 XLLJMGHMQNADPL-CQSZACIVSA-N 348.447 1.758 0 40 EDAB CC(C)C[C@H](CNC(=O)C[C@H]1CCCO1)NC(=O)C[C@@H]1CCCO1 69841687 ILPYHKFJMOKITQ-OAGGEKHMSA-N 340.464 1.772 0 40 EDAB CCCc1nnc(S)n1CC(=O)NC1(c2noc(C)n2)CCC1 69894231 KUGKGYULXSDRJI-UHFFFAOYSA-N 336.421 1.406 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cccc(S(=O)(=O)N(C)C)c1 69813837 RGFKVXWDNPKXEV-OCCSQVGLSA-N 339.461 1.023 0 40 EDAB COC(=O)CNC(=O)c1cccc(NC(=O)N[C@@H]2CCC[C@@H]2C)c1 69809084 KZHBAAIICHBOHB-SMDDNHRTSA-N 333.388 1.900 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)COc2ccccc2C(F)(F)F)CC1 71871227 KNTABXNEELJOFV-GFCCVEGCSA-N 346.349 1.609 0 40 EDAB Cc1cc(C)n(C2CN(CC3=NS(=O)(=O)c4ccccc4N3)C2)n1 69926311 FLGMMEUUOUARNV-UHFFFAOYSA-N 345.428 1.570 0 40 EDAB O=C(Cc1coc(-c2cccs2)n1)NCC(=O)Nc1cn[nH]c1 71879491 LIAWMBSDHCOVET-UHFFFAOYSA-N 331.357 1.424 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2Cn2cccn2)s1 71866721 VGNYOMYUVZVQBC-ZDUSSCGKSA-N 332.429 1.886 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cccc3ncccc23)CC1 71881865 BXTGCUMBSDPHHX-OAHLLOKOSA-N 343.427 1.390 0 40 EDAB O=C(Cn1c(=O)oc2cccnc21)NC[C@@H]1Cc2ccccc2O1 89857908 CFXFSQNEIJZQCM-LBPRGKRZSA-N 325.324 1.109 0 40 EDAB CCOCCCC(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1 71905678 DWMFYVBLSCGVCP-UHFFFAOYSA-N 346.435 1.137 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 97017447 UGYFSXSNJIKYMK-UHFFFAOYSA-N 327.384 1.987 0 40 EDAB Cc1ccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1C 72287082 PYDAJPMIBFMQFX-UHFFFAOYSA-N 342.399 1.611 0 40 EDAB CCN(C[C@@H](C)C(=O)O)C(=O)Cc1ccc(N2CCCC2=O)cc1 95989512 OKZXYAGYDFKPEA-CYBMUJFWSA-N 332.400 1.925 0 40 EDAB O=c1[nH]nc(Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)[nH]1 95983945 LQDZLXHKXDYAMP-UHFFFAOYSA-N 337.261 1.389 0 40 EDAB O=C(O)[C@@H](F)[C@H]1CCN(C(=O)c2cc(O)nc3cc(F)ccc23)C1 1548596695 BPEYLMVQGIBRFY-RTHLEPHNSA-N 336.294 1.964 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)NC1CCCCC1 408617418 ALLHUKGQPFOQMU-OMDWYFEUSA-N 328.412 1.488 0 40 EDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)Cc1cccc(Cl)c1 517748387 VAQXFIUSZGNWLY-GWCFXTLKSA-N 347.820 1.639 0 40 EDAB CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(N)(=O)=O)CC1 33045282 YWURGXCNUCTVSR-UONOGXRCSA-N 345.509 1.623 0 40 EDAB Cc1ncc(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c(N)n1 552183216 IHMGSIIPHWORSB-SNVBAGLBSA-N 331.342 1.258 0 40 EDAB Cc1noc(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)n1 431033817 KWRFYBMXQGBLKV-UHFFFAOYSA-N 340.391 1.175 0 40 EDAB C[C@H]1CN(C(=O)CNC2(c3ccccc3)CCOCC2)C[C@H](C)O1 72633033 FJYGEJKAMVZIEM-HOTGVXAUSA-N 332.444 1.918 0 40 EDAB 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COc1nc(CNC(=O)/C=C/c2ccco2)nc(N2CCCCC2)n1 575607427 MWOSAIGJPFMKMW-BQYQJAHWSA-N 343.387 1.793 0 40 EDAB Cn1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)n1 40040382 CHMXTPLYWJGVDR-UHFFFAOYSA-N 325.372 1.775 0 40 EDAB COC[C@H](O)CN(C)C(=O)c1cc(Br)cnc1Cl 50045706 FYYJUYGOXIJOQY-MRVPVSSYSA-N 337.601 1.577 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 31547684 DDGCPMADHSBDMG-UHFFFAOYSA-N 346.362 1.926 0 40 EDAB C[C@@H](C(=O)NCc1cccnc1OCc1ccccc1)S(C)(=O)=O 40541206 QRLKPXHVJJQGNE-ZDUSSCGKSA-N 348.424 1.710 0 40 EDAB CCNC(=O)CN(CC)C(=O)c1cccc(NC(=O)NC(C)C)c1 40555421 UVTVWDXGIWIPFW-UHFFFAOYSA-N 334.420 1.815 0 40 EDAB CN(C)CCCNc1c(NC[C@H](c2ccccc2)N(C)C)c(=O)c1=O 101678214 PBIWNPQZZMKASN-OAHLLOKOSA-N 344.459 1.361 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(c3ccc(O)cc3)CC2)on1 21999612 RTQVCKYYQUNGBB-CYBMUJFWSA-N 330.388 1.838 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cncc(Br)c1 33210045 HGJDQGJOBLZQLL-LLVKDONJSA-N 326.194 1.585 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCN(C(N)=O)C3)cn2)n1 42055445 PMPORUXQNRUPSG-ZDUSSCGKSA-N 342.403 1.613 0 40 EDAB O=C(c1cccnc1Cl)N1CCN(c2ncnc3[nH]cnc23)CC1 12323669 WDJCIMZFKPVVKR-UHFFFAOYSA-N 343.778 1.364 0 40 EDAB COc1ccc(/C=C/C(=O)N(CC(N)=O)C2CCCC2)c(OC)c1 47236177 VXZVMLCOEAGOTO-CSKARUKUSA-N 332.400 1.974 0 40 EDAB O=C(NC1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 420015 RMIGAWWQCKIEAH-UHFFFAOYSA-N 338.429 1.380 0 40 EDAB CN1C[C@H](NS(=O)(=O)Cc2ccccc2C(F)(F)F)CC1=O 78808699 JQNSNVQMNULYLS-SNVBAGLBSA-N 336.335 1.356 0 40 EDAB O=C(NCc1cccc(-n2cccn2)c1)N[C@H]1CC(=O)N(C2CC2)C1 78977730 JMDFKTFCAXXJTM-AWEZNQCLSA-N 339.399 1.435 0 40 EDAB COCCN(CC(=O)N(C)C)C(=O)C1(c2cc(C)cc(C)c2)CC1 79050332 LVVKPEKBNBJLBG-UHFFFAOYSA-N 332.444 1.898 0 40 EDAB CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(F)cc1 802502 TVTLTMMJYODMBY-UHFFFAOYSA-N 337.376 1.158 0 40 EDAB CCN1C(=O)[C@H]2[C@@H](c3ccccc3C)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 4884555 SEKYBLVOEUSLDW-KYZVSKTDSA-N 330.384 1.192 0 40 EDAB O=C(OCC(=O)N1CCc2ccccc21)[C@H]1COc2ccccc2O1 6055809 AERHEGAKBCZHON-QGZVFWFLSA-N 339.347 1.959 0 40 EDAB C[C@@H](NC(=O)c1cnc2ccc(Br)cn2c1=O)C1CC1 55132029 CCKORRDXIHIUNU-MRVPVSSYSA-N 336.189 1.985 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(OCC3CC3)nc2)C[C@H]1N1CCOCC1 72300418 LJTOOWPWLHIJNK-WMLDXEAASA-N 345.443 1.663 0 40 EDAB C[C@H](NC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1ccccn1 106095186 SJUPHLLVMYYMPV-YQQAZPJKSA-N 348.447 1.179 0 40 EDAB CCOc1ccc(CCC(=O)NCC2(C(N)=O)CCOCC2)cc1 55247407 RELNIZQJUXEQKU-UHFFFAOYSA-N 334.416 1.416 0 40 EDAB COc1ccc(OC)c2c1CN(C(=O)NCCn1ccnc1)C[C@H]2O 43310789 CDMWFNVNOXAYEG-CYBMUJFWSA-N 346.387 1.159 0 40 EDAB Cc1cc(NC(=O)NCc2ccnc(N3CCOCC3)c2)n(C)n1 43433812 WKBOQLSERMKSHH-UHFFFAOYSA-N 330.392 1.282 0 40 EDAB C[C@H](SCCN1C(=O)NC(C)(C)C1=O)C(=O)NC1CCCC1 56242124 IBKKVZIPVDGKJS-JTQLQIEISA-N 327.450 1.497 0 40 EDAB C[C@@H]1CN(c2ccc(C(=O)N3CCN(C)C[C@H]3C)cn2)C[C@@H](C)O1 107581391 YPUHDGQCGGALTE-RBSFLKMASA-N 332.448 1.471 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCC[C@H](CO)C2)cc1 35284098 TTZGLDREQVDUHV-HOTGVXAUSA-N 347.459 1.485 0 40 EDAB COc1ccc(CCNC(=O)NCCNC(=O)C(C)C)cc1OC 26248793 NVPLEQZHWLFKET-UHFFFAOYSA-N 337.420 1.318 0 40 EDAB COc1cc([C@@H]2CC(=O)Nc3nc(N)sc32)c(OC)c2c1OCO2 35325389 KEXDMKUSMLOFLS-ZETCQYMHSA-N 349.368 1.945 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccccn2)cc1C(N)=O 26755096 JKQRPFBKRDALIM-SNVBAGLBSA-N 335.385 1.229 0 40 EDAB Cc1cc(=O)n(CC(=O)NC[C@H]2CCCO2)c(-c2ccc(F)cc2)n1 57522239 GTHAEXSARQEMRQ-OAHLLOKOSA-N 345.374 1.653 0 40 EDAB COc1ccc(CC(=O)OCn2nnc3ccccc3c2=O)cc1 3260816 OADIPXVLFBYXKL-UHFFFAOYSA-N 325.324 1.544 0 40 EDAB O=C(NCc1ccnc(N2CCCC2)c1)N[C@@H]1CCN(CC2CC2)C1 95394103 JEKZCLVAFLXTDO-QGZVFWFLSA-N 343.475 1.965 0 40 EDAB CCNC(=O)c1cc(NCc2ccc(CS(C)(=O)=O)cc2)ccn1 95395757 QNEGTHWRHMJMEN-UHFFFAOYSA-N 347.440 1.988 0 40 EDAB COc1cccc([C@H](C)CC(=O)N2CCc3nn(C)c(=O)cc3C2)c1 84616431 GTDOQDVDSNJSOB-CYBMUJFWSA-N 341.411 1.867 0 40 EDAB CN(Cc1cccs1)C(=O)CCc1ccc(S(N)(=O)=O)cc1 44868153 NTALRVLJEOBMDH-UHFFFAOYSA-N 338.454 1.987 0 40 EDAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ncccc1O 44871027 PSCFNEGUBQLFEI-UHFFFAOYSA-N 332.360 1.371 0 40 EDAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(c2cnccn2)CC1 27633651 AMMKVNFODIUKAQ-GFCCVEGCSA-N 346.822 1.674 0 40 EDAB CCCc1noc(CCCC(=O)N[C@H](Cc2ccccc2)C(N)=O)n1 58282294 OYRQJMRHRGSOCT-CQSZACIVSA-N 344.415 1.558 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)NC[C@@H]1CCS(=O)(=O)C1 48251829 CJFFMQHMVKIBCD-LBPRGKRZSA-N 341.433 1.103 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)c1ccc(OC)c(OC)c1OC 58218878 GJGVJQMLMMLUGY-NSHDSACASA-N 338.404 1.747 0 40 EDAB C[C@H](CNC(=O)CCc1nc(-c2nc[nH]n2)no1)c1ccccc1 58267498 NMANYKOKKMYWTN-LLVKDONJSA-N 326.360 1.707 0 40 EDAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)Cn2cccn2)c1 58213293 FTIOTXGAIISLOM-UHFFFAOYSA-N 327.388 1.611 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)[C@H](C)n3ccnc3)CC2)cc1F 58246102 PTOFRXWDDXBKJO-AWEZNQCLSA-N 344.390 1.876 0 40 EDAB NC(=O)C1CCN(C(=O)[C@@H](c2ccccc2)N2CCSCC2)CC1 58282156 UOUOEHFAOHYOAR-MRXNPFEDSA-N 347.484 1.500 0 40 EDAB Cc1nn(CC(=O)NC[C@@H]2CCN(C3CC3)C2)c(=O)c2ccccc12 44934379 YHGMPZNKWKDEGM-AWEZNQCLSA-N 340.427 1.305 0 40 EDAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccc(Cn2cncn2)cc1 44941964 XOXDDEUWPINWPC-DLBZAZTESA-N 325.416 1.683 0 40 EDAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NC3CCCC3)[C@@H]4C2=O)no1 101444642 IFVLHOGIVFTUQH-PXMRGAAZSA-N 343.383 1.328 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)cc1 58344508 FXDDAQBHHCDBFQ-CYBMUJFWSA-N 348.424 1.622 0 40 EDAB CCN1CCC[C@@H](CNC(=O)CNC(=O)/C=C/c2ccccc2)C1 58329838 XDIGINKUPQIZCI-DVQDXYAYSA-N 329.444 1.664 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC3(CC2)OCCO3)c1C 28090859 QPKAESVGKZYNEL-UHFFFAOYSA-N 336.388 1.787 0 40 EDAB COc1cccc(CC(=O)N2CCN(C(=O)COCC3CC3)CC2)c1 58406180 SOYWQEZRBZXURO-UHFFFAOYSA-N 346.427 1.335 0 40 EDAB O=C1NC(=O)[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3Cl)C2)N1 72290709 PWKSBPGOBQWBHQ-LYOVBCGYSA-N 333.775 1.254 0 40 EDAB Cc1cnc(CN(C)[C@@H]2CCN(CC(=O)NCc3cccnc3)C2)o1 84258737 KPBMPWJPRURRBS-MRXNPFEDSA-N 343.431 1.201 0 40 EDAB CC1(C)Cc2cccc(OCC(=O)N3CCNC(=O)C3(C)C)c2O1 103971284 PJEXIXRBAPOQCC-UHFFFAOYSA-N 332.400 1.516 0 40 EDAB COc1ccc([C@H]2CCCN2CC(=O)NCCNC(C)=O)c(OC)c1 11439941 FFJYYJBVDOAXIM-MRXNPFEDSA-N 349.431 1.093 0 40 EDAB COc1ccc(/C=C2\C(=O)NC(=S)N2C(=O)[C@@H]2CCCO2)cc1 59471496 RPDVJRCCUODBND-SRXBQZRASA-N 332.381 1.458 0 40 EDAB Cc1cccnc1NC(=O)NCc1ccnc(N2CCN(C)CC2)c1 45846481 CLBWRFDZDICRBU-UHFFFAOYSA-N 340.431 1.859 0 40 EDAB CC(=O)N[C@H](CC(=O)N[C@H]1CCc2nccn2C1)c1ccc(C)cc1 97197470 LNNLJDCPNROYAX-DLBZAZTESA-N 340.427 1.890 0 40 EDAB COc1cccc(-c2nc(C(=O)N3CCNC(=O)C3)cs2)c1OC 29558669 NPZGQVJYQHRADA-UHFFFAOYSA-N 347.396 1.399 0 40 EDAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)N1CCCCC1 3596837 UBSXYGSZBOVHQM-HNNXBMFYSA-N 329.400 1.552 0 40 EDAB Cc1cc(=O)n2nc(Cn3cnc4sccc4c3=O)sc2n1 12952643 SKNABGKXSDUTSC-UHFFFAOYSA-N 331.382 1.279 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 71328975 KRVHHBFEEKZFCG-PBHICJAKSA-N 327.388 1.430 0 40 EDAB Cn1c(=O)c2[nH]c(CSc3ccc(Cl)cn3)nc2n(C)c1=O 96009492 LAHMEJDHPFUQAE-UHFFFAOYSA-N 337.792 1.301 0 40 EDAB CCN(CCO)C(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C 13637606 HRECKFXDNBLVNK-UHFFFAOYSA-N 345.490 1.256 0 40 EDAB CSc1ccccc1NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 65585764 MLQXAWAMXGXDKA-LLVKDONJSA-N 343.474 1.954 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 65553760 CCVIOXXTXDHVFV-ZDUSSCGKSA-N 336.411 1.888 0 40 EDAB Cc1cc(O[C@H](C)C(=O)NCCCO)c2c(C)c(C)c(=O)oc2c1 5324157 IJXSHCLPXYKMFV-CYBMUJFWSA-N 333.384 1.984 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(CN(C)CC(=O)NC(C)(C)C)C2=O 14142024 DKVRXQUPNLBYLO-PXAZEXFGSA-N 338.452 1.291 0 40 EDAB CCCCNC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1 6428520 WGYKOEHERQTURG-UHFFFAOYSA-N 331.372 1.629 0 40 EDAB CC[C@H]1CN(S(=O)(=O)c2cc(F)ccc2C(=O)OC)CCO1 65611733 SFDHJGVHNWIKDL-NSHDSACASA-N 331.365 1.412 0 40 EDAB COc1cc(Cl)c(C)cc1NC(=O)CC[C@@H]1NC(=O)NC1=O 9315605 VDBVLUCYKTTWSK-VIFPVBQESA-N 325.752 1.584 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1 6553248 GAHVLSPUFXBHQC-UHFFFAOYSA-N 337.353 1.959 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1nc(N)c3ccccc3n1)CC2 72302267 LCFAFKBONOPWNE-UHFFFAOYSA-N 336.399 1.347 0 40 EDAB C[C@@H]1CN(C2CCN(Cc3nc(N)c4ccccc4n3)CC2)CCO1 67400162 NYEXVXAHZWTWOI-CQSZACIVSA-N 341.459 1.897 0 40 EDAB O=C1CC(C(=O)NCCCOc2cccc3cccnc23)CC(=O)N1 68389980 JWWSXNSTVVXQFP-UHFFFAOYSA-N 341.367 1.173 0 40 EDAB CC(=O)N1CCN(C(=O)CSc2ncnc3ccccc23)CC1 7786964 SDBUUDXVPLAJRF-UHFFFAOYSA-N 330.413 1.413 0 40 EDAB COC(=O)C1(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)CCCCC1 22503845 GEQXOHNOJIVPQW-CQSZACIVSA-N 331.368 1.760 0 40 EDAB Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 8304849 ZXBWALZSOXYEOJ-UHFFFAOYSA-N 337.401 1.723 0 40 EDAB Brc1cnc(N2CCN(C[C@H]3CCCO3)CC2)nc1 69415434 AUXTXUZJSLQGNP-GFCCVEGCSA-N 327.226 1.540 0 40 EDAB C[C@H]1CN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)CCS1 69455667 WKJJAOFRRORJKP-LBPRGKRZSA-N 339.461 1.595 0 40 EDAB CC(C)c1ccc(OCCNC(=O)N2CCS(=O)(=O)CC2)cc1 71803924 MZOCMYUUVIGHLL-UHFFFAOYSA-N 340.445 1.629 0 40 EDAB CCCNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 8428408 PHGUATHANCTGIX-UHFFFAOYSA-N 327.406 1.239 0 40 EDAB CC(=O)NC1CCN(C(=O)NCCC(=O)Nc2ccc(C)cn2)CC1 69567674 MINAXSQNEGKGDR-UHFFFAOYSA-N 347.419 1.029 0 40 EDAB CCCO[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 71835093 DERUPIMFMBQXQI-ZDUSSCGKSA-N 337.420 1.269 0 40 EDAB CS(=O)(=O)c1ccc(OCCCN2CCC(C(N)=O)CC2)cc1 71842035 UZHDCALZXMIEOF-UHFFFAOYSA-N 340.445 1.056 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 71847424 RLVQVFACAVJXFZ-ZBFHGGJFSA-N 342.395 1.376 0 40 EDAB Cc1cnn([C@@H](C)[C@H](C)NCC(=O)NC2CCN(C3CC3)CC2)c1 69624591 VPPNJAHIVZQRNO-GJZGRUSLSA-N 333.480 1.474 0 40 EDAB CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2cccs2)CC1 69658075 UQTYPEJXUDFZSH-CQSZACIVSA-N 343.518 1.539 0 40 EDAB COCc1nc(CN2CCO[C@H](CN(C)c3cccnn3)C2)cs1 83859332 CNFZKUZDUKRROZ-CQSZACIVSA-N 349.460 1.417 0 40 EDAB CN(C[C@H]1CN(CCOc2cccc(F)c2)CCO1)c1cccnn1 83859263 DZFBLSSWWZVBSG-KRWDZBQOSA-N 346.406 1.832 0 40 EDAB CN(C[C@@H]1CCCN(CCNS(C)(=O)=O)C1)C(=O)OC(C)(C)C 69738754 ZYLWLHUHABTRJW-ZDUSSCGKSA-N 349.497 1.115 0 40 EDAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCN(CCO)CC1 69705713 ZQWGBHSUMMLQOM-ZDUSSCGKSA-N 341.402 1.094 0 40 EDAB 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344.386 1.997 0 40 EDAB CC1(C)[C@@H](OC[C@H](O)CN2CCN(CCO)CC2)[C@]2(C)CC[C@@H]1C2 100832335 SPYRNWLNZNVRQZ-YWTNHNAXSA-N 340.508 1.189 0 40 EDAB Cc1ccccc1-c1noc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)n1 106868058 PZZKVCTZPLMFSK-LSDHHAIUSA-N 330.432 1.932 0 40 EDAB Cc1ccc(OCCN2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)cc1 106918647 XYOVAHFLZYLPCT-KSSFIOAISA-N 331.416 1.684 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 107059138 IDSHONSBUNZHOD-ILMHXZGMSA-N 347.419 1.660 0 40 EDAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 107058072 SJYIMLPXBDDDIC-UBDQQSCGSA-N 344.455 1.978 0 40 EDAB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCn3cccn3)ccc21 57280231 HMFHXWGXLDSSIQ-UHFFFAOYSA-N 348.428 1.116 0 40 EDAB COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)OCC(=O)N3)c1 26399873 IMFISAMDRVOLNJ-UHFFFAOYSA-N 342.351 1.965 0 40 EDAB CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)CC1 56696259 IXTDXWPHPTWFLB-GFCCVEGCSA-N 328.409 1.751 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1)N1CCN(Cc2cscn2)CC1 58266160 DPQREBFAXGCVPI-HNNXBMFYSA-N 344.484 1.966 0 40 EDAB NC(=O)c1cc(N2CCN(c3cnccn3)CC2)nc2ccccc12 44915612 LDBMQUSSIYVKMI-UHFFFAOYSA-N 334.383 1.450 0 40 EDAB COc1ccc(Br)cc1CNC(=O)[C@H]1CCC(=O)NC1 95957198 GHFFFCFSQMSINV-VIFPVBQESA-N 341.205 1.600 0 40 EDAB CCCNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207830 GLDUXBBLWKJLTG-UHFFFAOYSA-N 334.825 1.495 0 40 EDAB Cn1cncc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 108525507 MGADSNVINHDKGA-GDBMZVCRSA-N 338.402 1.890 0 40 EDAB CC(C)(CNC(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)OCO2 58357201 JBQDLGRYLGGLEZ-UHFFFAOYSA-N 347.415 1.600 0 40 EDAB CN(C)c1cc(C(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)ccn1 58306260 BLGXBTSPENLHFN-HZPDHXFCSA-N 333.432 1.948 0 40 EDAB Cn1ncnc1CNC(=O)c1cn(-c2cccc(Cl)c2F)nn1 95988934 ZKKXWTAKMVTTDM-UHFFFAOYSA-N 335.730 1.118 0 40 EDAB Oc1cc(N2CCN(c3ncccn3)CC2)c(-c2ccccc2)nn1 117003960 PZTPBGBFCLUERG-UHFFFAOYSA-N 334.383 1.966 0 40 EDAB O=C(NCCc1ccc(-n2cccn2)cc1)N[C@H]1CCCCNC1=O 45401234 IGEOMUYEKGFRRF-INIZCTEOSA-N 341.415 1.383 0 40 EDAB C[C@@H](NC(=O)NCCN1CCOCC1)c1ccc2c(c1)OCCO2 45546781 OPFMNQYDIDFMFC-CYBMUJFWSA-N 335.404 1.150 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 29189601 LZGQKAHFLUUOGD-LLVKDONJSA-N 346.836 1.502 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(C)c1C 11566100 JMXPETAJWMMKCY-UHFFFAOYSA-N 340.445 1.555 0 40 EDAB CCc1nnc(NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)s1 46016927 XGNOCNWRPGYJHL-SECBINFHSA-N 344.400 1.377 0 40 EDAB CNc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)cn1 48355953 ATTRNGZGVXSPQO-UHFFFAOYSA-N 342.403 1.677 0 40 EDAB COCCCCN1C(=O)[C@H](n2cnnn2)[C@@H]1c1ccc(OC)cc1 62582217 CJOGTRMNTLJMLU-LSDHHAIUSA-N 331.376 1.233 0 40 EDAB CCCn1nc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1=O 12912489 SKJWNDNCQRUGDO-UHFFFAOYSA-N 347.371 1.931 0 40 EDAB CC(=O)N1CCN(C(=O)c2nc(C)n(-c3ccccc3Cl)n2)CC1 64022236 PYZFDWVNIPSNNZ-UHFFFAOYSA-N 347.806 1.533 0 40 EDAB O=C(CSc1cnc2ccccc2n1)N[C@@H]1CCS(=O)(=O)C1 4171876 VGMFNZOSGOFTDS-SNVBAGLBSA-N 337.426 1.025 0 40 EDAB CN1CCO[C@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@@H]21 95449477 NPMKTFYAOZWMTN-IRXDYDNUSA-N 339.443 1.749 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCCCC3)nc2)C1 65437046 WWUTWMFLRJXEBR-ZDUSSCGKSA-N 331.420 1.801 0 40 EDAB Cc1nn(C)c(N(C)C)c1CN[C@H]1CC(=O)N(c2ccccc2)C1 65474724 WCCBXZXFNMOTJV-AWEZNQCLSA-N 327.432 1.690 0 40 EDAB CCC(C)(C)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 223709983 GAEHHSBPBOEFNJ-UHFFFAOYSA-N 330.425 1.892 0 40 EDAB C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2cccs2)C[C@@H](C)O1 14098570 QILMDBSVEBRQMF-TXEJJXNPSA-N 332.491 1.914 0 40 EDAB Cn1cc(S(=O)(=O)NCCCOc2cccc3cccnc23)cn1 65500673 ALIMNEKGJZZWIF-UHFFFAOYSA-N 346.412 1.716 0 40 EDAB COCCNC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O 5351677 MAEVWSHQBOPIBJ-UHFFFAOYSA-N 335.356 1.424 0 40 EDAB CN1CCO[C@H](C(=O)N2CCC[C@H](n3nccc3C(F)(F)F)C2)C1 95466191 DVNFWUMULCJRRP-RYUDHWBXSA-N 346.353 1.396 0 40 EDAB CCCNC(=O)[C@H]1CCCN(Cn2nc(N(C)C)sc2=S)C1 66448830 CNKXVQWHBNROEB-NSHDSACASA-N 343.522 1.936 0 40 EDAB Cc1cccc(CS(=O)(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 96428377 ZHSAFPWMGIRVKM-MRXNPFEDSA-N 339.505 1.298 0 40 EDAB COc1cccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)c1 7343800 YADTYLIMKRZYIC-CQSZACIVSA-N 342.399 1.451 0 40 EDAB CN(Cc1ccco1)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 7679905 YXYSWVRNMGYOER-UHFFFAOYSA-N 340.335 1.937 0 40 EDAB Cc1sc(-c2ccco2)nc1C(=O)N1CCCN(CC(N)=O)CC1 71829333 TZJYYZZRMKJVCE-UHFFFAOYSA-N 348.428 1.345 0 40 EDAB CCN1CCO[C@@H](C(=O)NCc2ccccc2Cn2ccnc2)C1 81238030 FKRAZQZINFRMOH-QGZVFWFLSA-N 328.416 1.268 0 40 EDAB CCOC(=O)c1cccc(OC[C@@H](O)CN2CCc3n[nH]cc3C2)c1 91078570 FQIAHUNLYJXGIM-HNNXBMFYSA-N 345.399 1.384 0 40 EDAB CCCc1nc(CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)no1 71824529 ZFIIBBXIUHHTNL-QGZVFWFLSA-N 344.371 1.998 0 40 EDAB Cc1ccc2oc(=O)n(CN3CCN(Cc4cc(C)on4)CC3)c2c1 71817259 URGRVDJAVILOJK-UHFFFAOYSA-N 342.399 1.975 0 40 EDAB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 8118375 SIBDDIMFPLTNDG-CZUORRHYSA-N 336.457 1.079 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)NCCc2ccc3c(c2)OCO3)C1 83891389 VOHHZMNXOFWUJV-ZDUSSCGKSA-N 349.387 1.488 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C3OCCO3)CC2)c1 69240051 VXUUKXXPSOWYNC-UHFFFAOYSA-N 339.413 1.663 0 40 EDAB CCS(=O)(=O)CCn1ccc(NC(=O)[C@H](C)OCCC(C)C)n1 71915530 OXFOORBCJYSXQQ-ZDUSSCGKSA-N 345.465 1.708 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(O)nn3)CC2)cc1C 70040333 CNWFYTHTSDCIFU-UHFFFAOYSA-N 348.428 1.310 0 40 EDAB CCOC(=O)C1(NCC(=O)NCC(F)(F)F)Cc2ccccc2C1 71912053 ZACCJMMWHFQSRU-UHFFFAOYSA-N 344.333 1.355 0 40 EDAB O=C(CN1CCCCCCC1=O)NCC(=O)OCc1ccccc1 71945900 FHCGLUYIUVWHKK-UHFFFAOYSA-N 332.400 1.639 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)CN1CCO[C@@H](Cn2cccn2)C1 69375831 FNKPMLGZMKWQCK-QGZVFWFLSA-N 346.406 1.382 0 40 EDAB COc1cccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1OC(F)F 60793906 VSXUUCTUZBJOGT-SECBINFHSA-N 328.315 1.634 0 40 EDAB COc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1OC 69415391 ASPNLMMXMFMKIY-HNNXBMFYSA-N 336.432 1.887 0 40 EDAB C[C@H](C(=O)Nc1ccnc(Sc2ccccn2)c1)S(C)(=O)=O 69463106 ZERKNUGBJSLEEK-SNVBAGLBSA-N 337.426 1.999 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1C 17121130 UKUZGYZJJXTNKP-UHFFFAOYSA-N 336.457 1.983 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)NCC(=O)N1CCc2ccccc21 69517604 AEYLWGVNKBOTFL-UHFFFAOYSA-N 340.427 1.675 0 40 EDAB O=C(NCCNc1ncccn1)[C@H]1CCCCN1Cc1ccncc1 69534122 NTOMFENNJWVUEL-MRXNPFEDSA-N 340.431 1.454 0 40 EDAB O=C1CN(C(=O)COc2ccccc2F)C2(CCCCC2)C(=O)N1 8527767 ZAJPNECYKHFZQG-UHFFFAOYSA-N 334.347 1.392 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCc2nc(C)c(C)o2)c1C 69774939 YFKFGVALZUIYEN-UHFFFAOYSA-N 338.385 1.865 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1cc(=O)[nH]c3ccccc13)C2 69779355 FUZIIERQZVSERM-UHFFFAOYSA-N 337.383 1.899 0 40 EDAB C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 69768956 KUNIJRQBQGZGQC-IAQYHMDHSA-N 337.370 1.449 0 40 EDAB CC(C)CNC(=O)COC(=O)c1ccc(CN2CCC(O)CC2)cc1 69971161 IKTIDUYLMOIOPE-UHFFFAOYSA-N 348.443 1.572 0 40 EDAB Cc1cc([C@@H]2CCCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)C2)n[nH]1 84110116 XISRINGRZKYKTN-CHWSQXEVSA-N 327.450 1.636 0 40 EDAB O=c1[nH]c(N2CCC(c3c[nH]c4ncccc34)CC2)nc2[nH]ncc12 97097156 SHHJBRGWPLUSTM-UHFFFAOYSA-N 335.371 1.907 0 40 EDAB CC(C)COc1ncccc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 72269559 ANKRRYBGGRAUOB-DLBZAZTESA-N 347.459 1.788 0 40 EDAB CN(C)[C@H](CNC(=O)[C@H]1CCCN1c1ncccn1)c1cccs1 72273052 HWNLUCYJJPTYBD-ZIAGYGMSSA-N 345.472 1.926 0 40 EDAB Cc1cc2ccccc2n1CC(=O)OCCn1ncc(C(N)=O)c1N 72289704 PUGMSOBADDILIG-UHFFFAOYSA-N 341.371 1.071 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCN4CCC[C@@H]4C3)ccc21 72277700 MCFDCMZZSFJFMW-OAHLLOKOSA-N 349.456 1.064 0 40 EDAB CCc1csc([C@@H]2CCCN(C(=O)CN3CCCNC3=O)C2)n1 72282276 NYFQSOCCWOLZIK-GFCCVEGCSA-N 336.461 1.827 0 40 EDAB C[C@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)C(=O)N1CCNC1=O 97140106 UEHGLDBIDQXEDU-NSHDSACASA-N 347.806 1.937 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(c2noc(-c3ccccc3)n2)CC1 97163240 XADBNVZVSLTMBB-CYBMUJFWSA-N 341.415 1.526 0 40 EDAB O=C(Nc1cccc(N2CCOC2=O)c1)Nc1ccn(CCO)n1 72305761 GNXLNBAYKDEFRZ-UHFFFAOYSA-N 331.332 1.476 0 40 EDAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1nc(=O)o[nH]1 89478738 UQUAHDNSRNCIMX-LURJTMIESA-N 332.143 1.753 0 40 EDAB O=C1NC[C@H](C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)N1 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1.834 0 40 EDAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3C(=O)CO)n2)n1 72376337 CSHGLNWELVZFEP-ZDUSSCGKSA-N 328.376 1.283 0 40 EDAB O=S(=O)(C1CC1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 70635523 ZNHMWXQIHBHVAR-UHFFFAOYSA-N 345.428 1.153 0 40 EDAB CC(=O)N[C@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C 78879512 SCGVEVKCGSRSQJ-STQMWFEESA-N 327.425 1.273 0 40 EDAB CC(C)(C)C(=O)NCCC(=O)NC1(CNC(=O)C2(C)CC2)CCC1 1063312984 FBZXHVVOSUBHBC-UHFFFAOYSA-N 337.464 1.494 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(F)cc1 218580059 PACMMUHJVBRHGH-KCQAQPDRSA-N 329.393 1.234 0 40 EDAB Cn1nccc1CN1C[C@H]2CC[C@]3(NC(=O)c4ccccc4N3)[C@H]2C1 72326862 UXRAPELDWBIYIO-AZOIQLNYSA-N 337.427 1.814 0 40 EDAB CCc1nnc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CO)C3)n2)s1 72382581 ZJURJQKWVRGQGQ-SNVBAGLBSA-N 348.432 1.251 0 40 EDAB O=C(CCn1nc(-c2ccc(F)cc2)ccc1=O)NC[C@@H]1CCCO1 41254649 DKLOJTUUQDYAPY-HNNXBMFYSA-N 345.374 1.735 0 40 EDAB CCc1nc(NC(=O)N2CCN(c3ccncc3C)CC2)nn1C 48112444 ZXBACQPNYKAYLI-UHFFFAOYSA-N 329.408 1.435 0 40 EDAB Cc1cc2ncn(CC(=O)NCC(C)(C)N3CCOCC3)c2cc1C 192840020 NKBZMESWOIJDAE-UHFFFAOYSA-N 344.459 1.880 0 40 EDAB Cc1nsc(N2CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)n1 81576703 NDZMFBJNZPUWMZ-UHFFFAOYSA-N 348.457 1.467 0 40 EDAB CCOCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(C)=O 222974448 JTGOULJQLKEDCT-AWEZNQCLSA-N 336.432 1.975 0 40 EDAB CN1CCN(CC2CCN(C(=O)NCc3cccc(F)c3)CC2)CC1 192148340 RGNXXMVTOHHQLI-UHFFFAOYSA-N 348.466 1.995 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)c2ccccc2-n2cnnn2)CC1 223207303 CXHVJSFQDUKAMX-UHFFFAOYSA-N 342.403 1.039 0 40 EDAB COc1cc2nc(C)n(CCNC(=O)C3CC3)c(=O)c2cc1OC 95480769 JRIMHDQZXPCRCK-UHFFFAOYSA-N 331.372 1.248 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COCC2CCC2)C1 96040337 XGVNUBWUTUTJKW-JKSUJKDBSA-N 346.493 1.481 0 40 EDAB COc1cccc(CC(=O)N2C[C@H](OCCN(C)C)[C@H]3COC[C@H]32)c1 96185001 WQWPBMKLZYIEQE-KSZLIROESA-N 348.443 1.042 0 40 EDAB CCc1nc(CC)n(CC(=O)N[C@H](C(=O)NC)c2ccccc2)n1 96475834 WSBXFYXTECKPES-INIZCTEOSA-N 329.404 1.006 0 40 EDAB CN(C)c1ccccc1CN1CCc2ccc(S(N)(=O)=O)cc21 96443366 HRQGKCBVLXWAHG-UHFFFAOYSA-N 331.441 1.963 0 40 EDAB COc1cc(N2CCN(c3ncnc4ccsc34)CC2)ncn1 162439844 FAJIXBAERWZLCL-UHFFFAOYSA-N 328.401 1.817 0 40 EDAB COc1ccc2nc3n(c2c1)[C@@H](CNC(=O)CCC(=O)O)COC3 96112579 CPTXZOSILZKIOG-JTQLQIEISA-N 333.344 1.097 0 40 EDAB biogenic,in-vitro Cc1ccc(N2CCC[C@@]3(COCCN(c4cnccn4)C3)C2)nn1 96229144 QTEIGTBDDPBYAX-GOSISDBHSA-N 340.431 1.698 0 40 EDAB O=C(NCCC[C@@H]1CCOC1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 583483308 DCHRQAVMRZHMOG-ILXRZTDVSA-N 344.477 1.554 0 40 EDAB Cc1cccc(C2(NC(=O)CN3CCCS3(=O)=O)CCCC2)c1 96403627 XEFPVUMRWZDBRZ-UHFFFAOYSA-N 336.457 1.916 0 40 EDAB CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 583615137 HDQGWPLLRGBBEE-WPRPVWTQSA-N 348.325 1.753 0 40 EDAB CCN1C[C@]2(CC1=O)CN(Cc1nccs1)CCN(C(C)=O)C2 96036135 ZHTNXPMLDPRBMP-INIZCTEOSA-N 336.461 1.046 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n[nH]1 583619471 HZMLDULYVOMZDN-CJNGLKHVSA-N 325.372 1.348 0 40 EDAB CCc1cc(CNC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)[nH]n1 96420823 GYJPOJMUCKLPOU-CYBMUJFWSA-N 335.452 1.666 0 40 EDAB COc1cnc(N(C)C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)nc1 330436652 BIQVHEWUOMPYEG-SNVBAGLBSA-N 332.326 1.722 0 40 EDAB Cc1cc(C(=O)OC[C@H]2CC(=O)N(Cc3ccccc3)C2)nn1C 96442609 HSCQLKQFXHZNRF-HNNXBMFYSA-N 327.384 1.934 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 98091014 NQQSUHFDJACIAC-ZJUUUORDSA-N 330.381 1.974 0 40 EDAB Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)C2CCOCC2)cs1 96055670 BBFQKLIFRUYXQT-LSDHHAIUSA-N 349.456 1.580 0 40 EDAB CN(C)C[C@@H]1CO[C@@H]2CN(C(=O)COc3cccc(Cl)c3)C[C@@H]21 248031912 UAWQWVYQIAOUNK-DAXOMENPSA-N 338.835 1.754 0 40 EDAB COC1(c2nc(-c3cncc(S(N)(=O)=O)c3)no2)CCCCC1 585086274 CLCNHMCPWDAZJH-UHFFFAOYSA-N 338.389 1.585 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CN(C)C)C2)nc(-c2ccccn2)n1 585092180 IONTWUKLPMYLMK-GOSISDBHSA-N 327.432 1.740 0 40 EDAB Cn1nccc1-c1cccc(CC2CCN(S(C)(=O)=O)CC2)n1 257331264 XSBMEOOPCLUYLF-UHFFFAOYSA-N 334.445 1.696 0 40 EDAB Cc1c(C[C@H](CNC(=O)OC(C)(C)C)CN[C@H](C)CO)cnn1C 585116784 IJOPDTUOSDEBAY-OCCSQVGLSA-N 340.468 1.382 0 40 EDAB c1cncc(CN2CCOC[C@]3(CC[C@@H](CN4CCCC4)O3)C2)c1 253595551 FZTUUTIRZIHIFQ-OALUTQOASA-N 331.460 1.927 0 40 EDAB CN(CCn1cnc2c(N)ncnc21)C(=O)Cc1ccc(F)c(F)c1 585130978 HPUOECXZWLOURE-UHFFFAOYSA-N 346.341 1.388 0 40 EDAB CCNS(=O)(=O)c1cnc(C(F)(F)F)c(C(=O)OCC)c1 585115231 RUWDRRPJKXYFIB-UHFFFAOYSA-N 326.296 1.575 0 40 EDAB CCc1cc(C(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)on1 257286405 PLMQIDUJSUBWPY-CQSZACIVSA-N 330.388 1.688 0 40 EDAB Nc1cccc([C@@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257211323 BYLPKILLEVFRQT-HNNXBMFYSA-N 341.367 1.649 0 40 EDAB Cc1c(CN2CCCC[C@@H]2c2[nH]ncc2S(C)(=O)=O)cnn1C 257303884 SJDVCEJYESCHQL-CYBMUJFWSA-N 337.449 1.582 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)C[C@H](N(C)c1ccccc1)CO2 257275142 NOBODCFULZOVJE-KRWDZBQOSA-N 331.460 1.835 0 40 EDAB CCOC(=O)C(F)(F)C1(O)CCN(c2nc(C)cc(CC)n2)CC1 1615585329 BURVUGFRNXSAIJ-UHFFFAOYSA-N 343.374 1.877 0 40 EDAB COC(=O)c1c(NS(=O)(=O)c2cccs2)nc2n1CCC2 1615552074 RFPWNLHGUITZQF-UHFFFAOYSA-N 327.387 1.478 0 40 EDAB CC(C)(C)OC(=O)C1CCN(c2ccnc(S(N)(=O)=O)c2)CC1 1615585605 JOMOOPCWUNMLKE-UHFFFAOYSA-N 341.433 1.287 0 40 EDAB Cn1cnc(NC(=O)N[C@H](c2ccc(F)c(F)c2)c2nccn2C)n1 1625274492 ZGKNJGAAZZWEGN-GFCCVEGCSA-N 347.329 1.738 0 40 EDAB O=C(NCC1CCC1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 26139600 YZQZAURZNMGYEL-AWEZNQCLSA-N 347.440 1.516 0 40 EDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCO[C@@H](c2ccncc2)C1 585180249 ULUFILGALAWRBG-MRXNPFEDSA-N 335.367 1.876 0 40 EDAB COCc1nnc2n1CCN(S(=O)(=O)c1ccc(C)cc1)[C@H]2C 585097164 IDTNYUQRVGNWIT-LBPRGKRZSA-N 336.417 1.498 0 40 EDAB CCOc1ncccc1CNC(=O)c1cc(S(N)(=O)=O)ccc1C 31324860 XMAFLBWOBDOPNB-UHFFFAOYSA-N 349.412 1.366 0 40 EDAB CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1 70036756 SXEABNMDBWJUSN-INIZCTEOSA-N 346.452 1.923 0 40 EDAB CS(=O)(=O)NCC1CCC(C(=O)NCc2cccs2)CC1 36709698 CJQGKKTXWTZXJP-UHFFFAOYSA-N 330.475 1.720 0 40 EDAB Cc1nnc2c(N3CCC[C@@H](COc4ncccn4)C3)nccn12 1775996266 MWYMNVCKJCSATK-CYBMUJFWSA-N 325.376 1.518 0 40 EDAB C[C@@H](NC(=O)NCc1ccccc1Cn1cncn1)[C@@H]1CCCO1 48914719 MELCLXPYTLJPAJ-CJNGLKHVSA-N 329.404 1.693 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1nnc([C@@H]2CCCO2)o1 84569283 LMWGCBDBSNOFSJ-NSHDSACASA-N 341.331 1.213 0 40 EDAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H]1CC(=O)N(C)C1 58214112 IKTMLQSDASRNSZ-CYBMUJFWSA-N 343.383 1.831 0 40 EDAB CC(C)(CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccccc1F 58344849 RUYQKZWFDPMZPR-AWEZNQCLSA-N 342.436 1.644 0 40 EDAB C[C@@H]1CN(C(=O)c2ccncc2I)[C@H](C)CO1 95447107 NXQAMJZVFFQRPF-RKDXNWHRSA-N 346.168 1.936 0 40 EDAB Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCCN(C(N)=O)CC1 98016287 NRXRACGLIIAZKG-HNNXBMFYSA-N 332.448 1.428 0 40 EDAB C[C@@H](NCC(=O)N1CCOCC1)c1cnn(Cc2ccccc2)c1 96493970 YOMPWURWEZZAPA-OAHLLOKOSA-N 328.416 1.441 0 40 EDAB CC(C)CS(=O)(=O)N1CC2(CCN(C3COC3)CC2)CC1(C)C 1615154253 FOOGIQNMVWJBLK-UHFFFAOYSA-N 344.521 1.938 0 40 EDAB CCCCN(CC)S(=O)(=O)CCNC(=O)c1ccc(OC)cc1 5302029 MOTXRCOLJMUASH-UHFFFAOYSA-N 342.461 1.877 0 40 EDAB Cc1cc(=O)[nH]c(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1 12113666 UUEAXAZSNIPTMM-UHFFFAOYSA-N 334.326 1.319 0 40 EDAB Cc1cc2c(cc3c(=O)n(CC(=O)N4CCCCC4)nc(C)n32)o1 12115481 QNWIZXCINJMCQC-UHFFFAOYSA-N 328.372 1.872 0 40 EDAB Cc1cc2nc([C@@H](NC(=O)Cc3nonc3C)C(C)C)cc(O)n2n1 19129507 HBKOBGMHMVNZOK-INIZCTEOSA-N 344.375 1.491 0 40 EDAB O=C(Cc1ccccc1F)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19348179 ZTNKAZNAJOPQRB-CQSZACIVSA-N 340.402 1.820 0 40 EDAB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCN1CCOCC1 19939998 JHXCTPLCGIZYEH-UHFFFAOYSA-N 332.791 1.863 0 40 EDAB COCCn1c(=O)[nH]c2cc(C(=O)NC3CCCC3)ccc2c1=O 3906594 KJUPUGZKVMJJRV-UHFFFAOYSA-N 331.372 1.009 0 40 EDAB O=C(CS(=O)(=O)Cc1nc(-c2cccs2)no1)NCC1CC1 36396073 WGFDIYLJMOEUIV-UHFFFAOYSA-N 341.414 1.239 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cc(S(N)(=O)=O)ccc2F)cc1 36395877 JBEVZJKOKCLNCI-UHFFFAOYSA-N 344.389 1.582 0 40 EDAB O=C([C@@H]1CN(c2nc3cnccc3s2)CCO1)N1CCCCC1 1888842928 IWYVNOAQXARURY-ZDUSSCGKSA-N 332.429 1.909 0 40 EDAB Cc1cc(N2CCN(c3ccnc(C4CC4)n3)CC2)nc(N(C)C)n1 1888857005 MIAGJWGIARRYFU-UHFFFAOYSA-N 339.447 1.845 0 40 EDAB CCc1ncnc(N2CCN(c3cc(C)nc(N(C)C)n3)CC2)c1F 1888906509 BLPMDMSOVKRTBK-UHFFFAOYSA-N 345.426 1.669 0 40 EDAB CN(c1ccccn1)C1CCN(CC(=O)NC[C@H]2CCCO2)CC1 1888917929 VMNZJEGORZRNQU-MRXNPFEDSA-N 332.448 1.277 0 40 EDAB COc1cccc(CN2CCO[C@@]3(CCCCN(C)C3=O)C2)c1OC 2037984088 PQERPPPRZMANLD-IBGZPJMESA-N 348.443 1.917 0 40 EDAB CCOc1ccccc1CN1CCO[C@@]2(COCC(=O)N(C)C2)C1 2037984199 UBTRFVZIZBNGJG-GOSISDBHSA-N 334.416 1.145 0 40 EDAB O=C(c1ccnc(F)c1)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223287 DBVZGGGWNLVHLM-HOTGVXAUSA-N 333.407 1.936 0 40 EDAB O=C(NCC1CC1)[C@H]1C[C@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]1O2 1565547448 JAUNXCWNCLQHJT-HEHGZKQESA-N 345.399 1.308 0 40 EDAB CN1CCO[C@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)CC[C@@H]2C1 1565552992 GEVYRWSMVBRPJC-DOMZBBRYSA-N 348.834 1.780 0 40 EDAB CCCN(CC)C(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055715752 GPMDPCVREADLLM-CYBMUJFWSA-N 332.448 1.986 0 40 EDAB O=C(Cc1noc2ccccc12)N1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 2055772743 WVIGXJITYSHHOD-ZFWWWQNUSA-N 339.395 1.697 0 40 EDAB O=C([C@H]1CN(c2ncc(F)cn2)CCO1)N1CCC(F)(F)CC1 2086884444 VDHUIHDKYHSWJW-LLVKDONJSA-N 330.310 1.079 0 40 EDAB CCCc1nnsc1C(=O)N1CC(Oc2cc(C)oc(=O)c2)C1 206957417 CUASATWIMFGCAU-UHFFFAOYSA-N 335.385 1.656 0 40 EDAB O=C(NCCOCCn1cccn1)c1cc(-c2cccs2)[nH]n1 575620367 SBIIGEGOIGOFSQ-UHFFFAOYSA-N 331.401 1.781 0 40 EDAB CCCc1nnsc1C(=O)N[C@@H]1CCc2nc(N(C)C)ncc2C1 606440783 QHPQGJKAJLPGAD-LLVKDONJSA-N 346.460 1.634 0 40 EDAB COc1ccnc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)n1 637897371 GMJZBYLXKFXSRK-UHFFFAOYSA-N 342.447 1.420 0 40 EDAB CCOC(=O)C1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 40459229 JRDMINNAWOHJFJ-HNNXBMFYSA-N 325.380 1.841 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCc1ccc(-n2cccn2)nc1 40488720 LIJMBOMCFCDLNT-UHFFFAOYSA-N 335.367 1.314 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2cc(C)on2)cc1 31657090 UGKBKKDUZDPRRM-UHFFFAOYSA-N 338.385 1.980 0 40 EDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)NC1CCN(C2CC2)CC1 31735400 GJHIUXUSJDVGOR-UHFFFAOYSA-N 344.394 1.222 0 40 EDAB COc1cc(C(=O)N[C@H](C(=O)N(C)C)C(C)C)cc2c1OCCO2 40527807 RBJGEYSJHLLMGV-AWEZNQCLSA-N 336.388 1.309 0 40 EDAB Cc1cccc(-c2nc(CN3CCN(C(=O)N(C)C)CC3)no2)c1 40513765 WDJKUDLWWUXSIN-UHFFFAOYSA-N 329.404 1.844 0 40 EDAB CCC[C@@H](C)N(C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 40515550 IJOJUTCTSKKLJI-GFCCVEGCSA-N 337.445 1.762 0 40 EDAB O=C(CCc1cccs1)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 40505270 FJPPMFFFGLFZOS-HOCLYGCPSA-N 338.473 1.534 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 20731420 HDYTUTAZWUWOKH-ZDUSSCGKSA-N 349.818 1.384 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccncc2)CC1 21182060 QSEKTTVWGMMLHD-UHFFFAOYSA-N 335.404 1.727 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)c2cnn(-c3ccccc3)n2)cc1 52396990 BKWJBALJMCAYGQ-UHFFFAOYSA-N 349.394 1.899 0 40 EDAB CS(=O)(=O)Nc1nc(CC(=O)NC2CCCCCC2)cs1 32894991 KCWWDBUHKNZWFB-UHFFFAOYSA-N 331.463 1.896 0 40 EDAB Cc1ccc2[nH]c(C)c(CC(=O)NCC3(C(N)=O)CCOCC3)c2c1 52744421 XCFULQLUVHODTM-UHFFFAOYSA-N 343.427 1.726 0 40 EDAB O=C(CCNC(=O)C1CCCC1)Nc1ccc(-n2cncn2)nc1 33008216 FJJLJHTZYWXVRW-UHFFFAOYSA-N 328.376 1.297 0 40 EDAB CCN1CCN(CC(=O)N2CCN(Cc3cccc(C)c3)CC2)CC1 52857943 RIQQCTDFMDKYSA-UHFFFAOYSA-N 344.503 1.277 0 40 EDAB CN(C)c1ccc(NC(=O)CN2C(=O)CCOc3ccccc32)cn1 22420216 VEKKOKQKSIXOBW-UHFFFAOYSA-N 340.383 1.902 0 40 EDAB CC(C)[C@@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)c2ccccc2C1=O 133377 VMFROCJXOLZRRJ-WFASDCNBSA-N 330.384 1.602 0 40 EDAB CCOC(=O)CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 37565007 KIRDZRXLQDXHIS-UHFFFAOYSA-N 327.280 1.427 0 40 EDAB NC(=O)C1CCN(CCCNC(=O)NCc2ccc(F)cc2)CC1 47676964 HKNAMYPOUGGTMF-UHFFFAOYSA-N 336.411 1.212 0 40 EDAB CCc1cnc(CN(C)[C@H]2CCN(Cc3nnnn3C3CC3)C2)o1 78892068 PHFRICSFYGZTNU-ZDUSSCGKSA-N 331.424 1.265 0 40 EDAB COCc1cc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)no1 79771934 VMWNAQITTQJPCI-UHFFFAOYSA-N 336.779 1.832 0 40 EDAB CCc1ccc(OC[C@H](O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 24090730 SQOBXLLBHYRBEK-ZBFHGGJFSA-N 334.416 1.955 0 40 EDAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)O)C1=O 12504832 BYTZCSNTXNMWAX-GFCCVEGCSA-N 327.134 1.301 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NCCc1cccnc1 12546059 XAOAEWBPMLAPHA-UHFFFAOYSA-N 326.399 1.451 0 40 EDAB COc1ccc(CC(=O)N2CCC(c3nncn3C)CC2)cc1F 24691891 QMVJRQRYVSAEDA-UHFFFAOYSA-N 332.379 1.912 0 40 EDAB COc1cc(C)nc(N2CCC[C@H](C(=O)NC[C@@H]3CCCO3)C2)n1 4967442 HVLBZKZPUGAUQC-KBPBESRZSA-N 334.420 1.305 0 40 EDAB O=C(Nc1ncccc1O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 12546109 JMVYKORSOHINLM-SNVBAGLBSA-N 341.323 1.508 0 40 EDAB NC(=O)N1CC[C@@H](NC(=O)CCc2cccc(C(F)(F)F)c2)C1 97161924 FLJHUIJMTOOCDW-GFCCVEGCSA-N 329.322 1.907 0 40 EDAB COCCCNC(=O)[C@@H](C)N1CCCC[C@@H]1Cn1nc(C)cc1C 106783995 BHRVDHQXPDGTIA-IAGOWNOFSA-N 336.480 1.896 0 40 EDAB C[C@H](CN(C(=O)[C@@H]1CCCO1)c1ccccc1)NC(=O)[C@H]1CCCO1 106799456 RWNIZTYVFAPSTC-OIISXLGYSA-N 346.427 1.882 0 40 EDAB Cc1nn(C)c2sc(C(=O)N3CCC(N4CCNC4=O)CC3)cc12 55786199 GXMVCKIQXRXKBD-UHFFFAOYSA-N 347.444 1.573 0 40 EDAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)no1 8036357 WBAHXAAHDAFFOV-LBPRGKRZSA-N 349.387 1.646 0 40 EDAB Nc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 3224283 VOQDTXQATGNJFF-UHFFFAOYSA-N 328.324 1.471 0 40 EDAB CCCCN(CC(N)=O)C(=O)c1ccn(-c2ccc(OC)cc2)n1 55994447 MRJKYFJNJSTQPF-UHFFFAOYSA-N 330.388 1.609 0 40 EDAB COC[C@H](C)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 57332205 JCGCQXPCKQPTJI-ZDUSSCGKSA-N 325.840 1.613 0 40 EDAB C[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 101359960 FYFGEWYFSABBCF-OVZMXSCWSA-N 333.727 1.871 0 40 EDAB CN1CCN(c2ccc(NC(=O)COc3ccccc3F)cn2)CC1 12613414 GCCNABWMPRWDPZ-UHFFFAOYSA-N 344.390 1.990 0 40 EDAB COc1ccc2c(CC(=O)NC[C@@H]3CCS(=O)(=O)C3)coc2c1 44718912 YOPQSOOBFHOLSU-NSHDSACASA-N 337.397 1.535 0 40 EDAB COC[C@H](C)N(C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 48290947 UULLPUGOPNAXGX-AWEZNQCLSA-N 335.452 1.010 0 40 EDAB Cc1occc1C(=O)NCC(=O)NCCc1nc2ccccc2[nH]1 48245331 SQUUGALYVXFRDM-UHFFFAOYSA-N 326.356 1.553 0 40 EDAB Cc1nc(CN2CCN(c3ncnc4c3cnn4C)CC2)cs1 12797632 MNXPWKCTMISOOP-UHFFFAOYSA-N 329.433 1.450 0 40 EDAB O=C(CCCn1cncn1)NCC(=O)N1CCCc2ccccc21 58183156 LTXPCKXAHGVYCR-UHFFFAOYSA-N 327.388 1.154 0 40 EDAB O=C(O)[C@H]1CN(C[C@H]2CCOC2)Cc2ncn(CC3CCOCC3)c21 107777889 ALBSNBSVPSHJGP-CABCVRRESA-N 349.431 1.330 0 40 EDAB COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@@H]1c1ccc(OC)cc1 72314036 ICTRZHZGULQOHY-IUODEOHRSA-N 341.429 1.971 0 40 EDAB C[C@@H](NC(=O)CN(C)S(C)(=O)=O)c1ccc(Br)cc1 22606710 DHPOIZMTPNEGFG-SECBINFHSA-N 349.250 1.518 0 40 EDAB C[C@@H](NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1)c1nncn1C 58325964 GFNHONDAIIRVMU-LLVKDONJSA-N 329.404 1.834 0 40 EDAB CNC(=O)NC(=O)CN1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 58343263 RBRZDVDGOKBLFI-IRXDYDNUSA-N 344.459 1.571 0 40 EDAB O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2c2ncc(F)cn2)O1 107207880 RAUUNAGJQPKRME-RBSFLKMASA-N 346.362 1.651 0 40 EDAB CCOC(=O)CNC(=O)CNC(=O)c1ccc(OCC(C)C)cc1 2298939 DHOXETDXUNOBCP-UHFFFAOYSA-N 336.388 1.131 0 40 EDAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)C=C[C@]3(CO)O2)cc1 100377280 MMBBBGAUCFGRIE-IHETXDGRSA-N 327.336 1.085 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCCOc2ccccc2)cc1 11354573 AHXJIGTWCIYBPO-UHFFFAOYSA-N 348.424 1.794 0 40 EDAB O=C(CN1CCOCC1)Nc1ccnn1Cc1cccc(Cl)c1 28914103 IGVFJTVHTMXCSC-UHFFFAOYSA-N 334.807 1.856 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1nc(CC(N)=O)cs1 12878227 XUAGTLJYYYSGJE-UHFFFAOYSA-N 342.384 1.312 0 40 EDAB O=C(NC[C@]1(COc2cccnc2)C[C@H](O)[C@H](O)C1)C1CCCC1 107430657 FXTJNVNHALKPSO-ALXJQNPVSA-N 334.416 1.269 0 40 EDAB biogenic,in-vitro O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Oc1ccc2c(c1)CCC2 45954758 MKXBACPOSFDQOT-UHFFFAOYSA-N 336.347 1.784 0 40 EDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2 102682647 GVRQDZCOBBQEHV-QMMMGPOBSA-N 334.401 1.893 0 40 EDAB Cc1cc(NC(=O)NC[C@@H](O)CO[C@@H](C)c2ccccc2)n(C)n1 46870762 ZTKIKPMAMCBJID-DZGCQCFKSA-N 332.404 1.989 0 40 EDAB COC(=O)CNC(=O)c1cc(OC)c(Br)c(OC)c1 8939344 ALYUIALVKDKFIM-UHFFFAOYSA-N 332.150 1.369 0 40 EDAB COc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccncc1 13072266 YUNNSSDWJYXQMF-SNVBAGLBSA-N 336.369 1.828 0 40 EDAB CN1CCO[C@@H](C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)C1 83004781 NORALIKTAHVAEI-JKSUJKDBSA-N 348.834 1.573 0 40 EDAB O=C([C@@H]1CCOC1)N1CCN(c2ccc(Br)cn2)CC1 49341741 WEUWUZMWHLALHJ-LLVKDONJSA-N 340.221 1.529 0 40 EDAB COc1ccc(C2(NC(=O)c3ccc(=O)n(C)n3)CCCC2)cc1 64314579 QBNKSHCSHDMFPA-UHFFFAOYSA-N 327.384 1.988 0 40 EDAB Cc1c(C)c2ccc3c(c2oc1=O)CN([C@H]1CCS(=O)(=O)C1)CO3 13624493 VEKJSKQCOKKNIR-LBPRGKRZSA-N 349.408 1.749 0 40 EDAB COc1ccc(CC(=O)Nc2nnc(S(C)(=O)=O)s2)cc1 13629830 IRWQATHYWHGGST-UHFFFAOYSA-N 327.387 1.131 0 40 EDAB C[C@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)[C@@H]1CCCO1 65434423 PMXNQOTWXLSPRR-HOCLYGCPSA-N 347.463 1.200 0 40 EDAB COc1ccc(CCNC(=O)CN2CCn3c(nc(C)c3C)C2)cc1 65464822 UPACIWVUKNSDFD-UHFFFAOYSA-N 342.443 1.683 0 40 EDAB Cc1nc(CN2CCN(S(=O)(=O)c3cccs3)CC2)oc1C 65519549 SAHMMFQRXMJBBI-UHFFFAOYSA-N 341.458 1.859 0 40 EDAB CC[C@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CCO1 65577073 LLDRLDKHMXAETK-AWEZNQCLSA-N 338.429 1.260 0 40 EDAB Cc1nscc1C(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 97080387 DXHIIVXKODKHSK-UHFFFAOYSA-N 348.428 1.583 0 40 EDAB CC(C)[C@H](NC(=O)c1cc2cc(F)ccc2n1C)C(=O)NCC(=O)O 5303870 UCQRWFOICCBZFE-HNNXBMFYSA-N 349.362 1.273 0 40 EDAB CC(C)N1C(=O)[C@@H]2CN(C(=O)OCc3ccccc3)CCN2C1=O 72233754 XFVMMRXQFRPYLX-AWEZNQCLSA-N 331.372 1.680 0 40 EDAB Cc1cccc(N2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)c1 14899812 GMCGUSLHHZTEHU-UHFFFAOYSA-N 348.406 1.965 0 40 EDAB CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 14915227 PDMADAAAOSKZSL-ZDUSSCGKSA-N 336.411 1.570 0 40 EDAB COc1c([C@H]2CCCN2C(=O)[C@@H](C)N2CCCCC2=O)c(C)nn1C 72234460 MDGSMTOJMFOOQR-ZIAGYGMSSA-N 348.447 1.802 0 40 EDAB Cn1ncnc1CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 80158444 WQHLZCXXJOVREB-LBPRGKRZSA-N 334.811 1.547 0 40 EDAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(-n3cncn3)cc2)no1 15808911 ZNTLJVORDLUOEZ-NSHDSACASA-N 341.327 1.748 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16021891 DNCWQCRISIYZFL-NBGRUEAGSA-N 327.384 1.227 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)c2n1 68755078 YEUWXRJMZZXTCZ-AWEZNQCLSA-N 341.415 1.416 0 40 EDAB CS(=O)(=O)NC(=O)c1cnn(-c2cccc(Br)c2)c1 72270440 VVJYACFMFBXYPX-UHFFFAOYSA-N 344.190 1.324 0 40 EDAB Cc1nn(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c(=O)c2ccccc12 71825066 HNSYRQQMEVYWSF-UMVBOHGHSA-N 331.416 1.175 0 40 EDAB O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1nccs1 21085549 KTQYOHRPDPTSGY-UHFFFAOYSA-N 347.396 1.633 0 40 EDAB CC(C)N(C)C(=O)[C@H]1CCCN(c2ncc(C(N)=O)cc2Cl)C1 71841024 UMOUNFFFNFTZAC-NSHDSACASA-N 338.839 1.917 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1ccccc1F 8013368 QEENHWYVFGTIOU-UHFFFAOYSA-N 325.343 1.964 0 40 EDAB C[C@H](c1ccncc1)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 71896969 MOGVPQKIDZAPFW-CQSZACIVSA-N 346.456 1.612 0 40 EDAB CCc1nc(C)ncc1C(=O)N1C[C@@H](N2CCOCC2)[C@H](CC)C1 83817541 UKYBDJGTWBGBSH-RHSMWYFYSA-N 332.448 1.530 0 40 EDAB CCOC(=O)[C@H](OC(=O)/C=C/c1c(C)nn(C)c1C)[C@H]1CCOC1 70039355 UHWXGYRDKUCTGH-JQBOLYQISA-N 336.388 1.562 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)C[C@@H]2OCCc3ccsc32)CC1 70040828 UFEWRILOWWTGHW-GJZGRUSLSA-N 338.473 1.667 0 40 EDAB COc1ccc(CCNC(=N)NCC(=O)NCc2ccccc2)cc1 69350365 XCLNIQUGCYBVMS-UHFFFAOYSA-N 340.427 1.668 0 40 EDAB COc1ccc([C@@H]2C[C@@H]2C(=O)NCCN2CCN(C(C)=O)CC2)cc1 69349608 SENCRCQRQWHXTK-ROUUACIJSA-N 345.443 1.079 0 40 EDAB C[C@H]1SCCN(Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1 71911170 WOJAFUVMEFZWAJ-DYVFJYSZSA-N 345.468 1.763 0 40 EDAB C[C@@H](NC(=O)CN1CCN(Cc2nccn2C)CC1)c1ccco1 69455695 CMFYOECBFYVZSS-CQSZACIVSA-N 331.420 1.008 0 40 EDAB COCc1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc1 69490016 VPLXAKZECKKJKI-UHFFFAOYSA-N 342.443 1.915 0 40 EDAB O=C(CCNC(=O)c1ccccc1N1CCOCC1)NC1CCCC1 69486076 SEOFPSNAFYTOGH-UHFFFAOYSA-N 345.443 1.702 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCN(CCCS(C)(=O)=O)CC2)n1 69464641 CZXFYONYKXQUQS-CYBMUJFWSA-N 344.481 1.306 0 40 EDAB O=C(Cn1cnc(NC(=O)C2CCCC2)n1)NCc1ccccc1 69439415 IUHVBCLGTGKUHW-UHFFFAOYSA-N 327.388 1.723 0 40 EDAB CN(C)c1nc(N)nc(CSc2nccn2Cc2ccccn2)n1 71903295 YJTYIGDXFJYNMA-UHFFFAOYSA-N 342.432 1.452 0 40 EDAB CC(=O)Nc1cc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)ccc1F 69533772 STIPUCBGUOXUOD-INIZCTEOSA-N 341.342 1.841 0 40 EDAB CC(C)c1noc([C@H](C)N2CCN(C[C@@H](O)Cn3cccn3)CC2)n1 69630467 OXCXONKWCBMCKP-LSDHHAIUSA-N 348.451 1.129 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CCCCN1Cc1cccnc1 72277913 GOXGJVMPLTZNPB-SJORKVTESA-N 339.443 1.764 0 40 EDAB CCNC(=O)N[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2C)C[C@@H]1OC 69739373 ZPKOREXFPCBHCP-BPUTZDHNSA-N 348.447 1.340 0 40 EDAB NC(=O)C1CCC(NS(=O)(=O)C2=Cc3ccccc3CC2)CC1 69740314 ISTBGXZTRNAJKJ-UHFFFAOYSA-N 334.441 1.937 0 40 EDAB CCCCn1nnnc1CN1CCC[C@@H](Cn2nc(C)nc2C)C1 69840541 AEVVRHIEGJTBJY-OAHLLOKOSA-N 332.456 1.594 0 40 EDAB C[C@H](O)CN1CCC(CNCc2nc(Cc3ccccc3)no2)CC1 69810385 PUJUDIFATGKLAF-HNNXBMFYSA-N 344.459 1.843 0 40 EDAB CCN(C(=O)c1cc(OC)cc(OC)c1)[C@@H](C)CS(=O)(=O)CC 69879626 DLHURYKCWOQRJM-LBPRGKRZSA-N 343.445 1.989 0 40 EDAB C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CCc3ccccn3)CC2)C1 69876686 HPWRMENOHCSVIE-PKOBYXMFSA-N 344.503 1.937 0 40 EDAB CCCc1nc(C[S@](=O)CC(=O)NCc2ccccc2C)no1 69901163 RCRFWGZDSRXDLM-HSZRJFAPSA-N 335.429 1.896 0 40 EDAB Cc1noc([C@@H](C)NS(=O)(=O)N2CCC[C@@H]2c2ccco2)n1 84286500 RMBIQFNZLGINPB-MWLCHTKSSA-N 326.378 1.704 0 40 EDAB COc1cc(C)sc1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 70863278 SBXPBNBJDMDZHP-MRVPVSSYSA-N 336.335 1.958 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)CCOc2ccc(F)cc2F)CC1 95381647 WZMCKLKDFAPEBC-AWEZNQCLSA-N 342.386 1.649 0 40 EDAB O=C1CC[C@H](C(=O)NCC[C@@](O)(c2ccccc2)C(F)(F)F)N1 95398874 WBYGNFMMWMVLCL-BXUZGUMPSA-N 330.306 1.221 0 40 EDAB O=C(Nc1ccc(-n2nccn2)cc1)N[C@H](CO)Cc1ccccc1 97414175 LYWPYUBRRVBEFP-INIZCTEOSA-N 337.383 1.992 0 40 EDAB C[C@@H](C(=O)NCCc1n[nH]c(=O)[nH]1)c1ccc(Br)cc1 95452507 NDQLQXUVSNEJHJ-MRVPVSSYSA-N 339.193 1.323 0 40 EDAB COC(=O)c1cccc(CS(=O)(=O)Nc2ccc(N(C)C)nc2)c1 95447995 DFAPTTIDXZSRLJ-UHFFFAOYSA-N 349.412 1.876 0 40 EDAB COc1cc(Br)c(CN(C)CC(=O)N(C)C)c(OC)c1 95982309 GGZRZWKBERUMOF-UHFFFAOYSA-N 345.237 1.986 0 40 EDAB O=S(=O)(Cc1ccon1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 95986215 OLCHSTSRWJTBIK-OAHLLOKOSA-N 340.376 1.842 0 40 EDAB C[C@H](C(=O)Nc1ccc(=O)n(C)c1)S(=O)(=O)c1ccc(F)cc1 95954079 DQZWDWAMEWTDPC-SNVBAGLBSA-N 338.360 1.325 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3ccc4c(c3)COC4)CCO2)n1 89289790 VPNRJMOQIFANMN-AWEZNQCLSA-N 328.372 1.611 0 40 EDAB CN(CC(=O)N1CCC2(CCCC2)CC1)c1ncnc2[nH]cnc12 89335385 PWPFZZRHGMASTR-UHFFFAOYSA-N 328.420 1.972 0 40 EDAB CN(Cc1ccco1)C(=O)CN1CCNC(=O)C[C@@H]1c1ccccc1 89363703 KASFOMSIQUNBEF-QGZVFWFLSA-N 341.411 1.801 0 40 EDAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)NC[C@@H]1CCCC[C@@H]1O 86334562 JAYSKZOLCVHPPQ-FZMZJTMJSA-N 347.440 1.726 0 40 EDAB Cc1cc(NC(=O)c2ccc(-n3ccnn3)cc2)ccc1-n1cnnn1 89697935 OMOAHHLVAULCPG-UHFFFAOYSA-N 346.354 1.804 0 40 EDAB Nc1nc(N)nc(CS[C@H]2CCN(c3ccccc3F)C2=O)n1 89814090 BPIUDXZNSRUADT-JTQLQIEISA-N 334.380 1.214 0 40 EDAB COc1ccc(-c2csc(CNC(=O)Cn3cnnn3)c2)cc1 76094334 QRVSGXCZNALWHT-UHFFFAOYSA-N 329.385 1.727 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)c3cccnc3OCC(C)C)CCO2)n1 76045427 HVHXNVAZWACCIY-CQSZACIVSA-N 345.403 1.757 0 40 EDAB Cn1cc(-c2nn(C)cc2C(=O)NC[C@]23CCC[C@@H]2OCC3)cn1 1551042234 FDPIDRIIAWRNAH-WMLDXEAASA-N 329.404 1.510 0 40 EDAB CCOC(=O)C1=C[C@H]2CN(Cc3ccccc3)[C@@H]1[C@H]1C(=O)N=C(O)[C@@H]12 31672762 JEYCRCWETSZQSS-UKMLZYKCSA-N 340.379 1.719 0 40 EDAB c1csc(CN[C@H]2CCc3nc(N4CCOCC4)ncc3C2)n1 306123462 ANXIBUDWFVBETR-ZDUSSCGKSA-N 331.445 1.417 0 40 EDAB Cc1cc(F)cc2[nH]c(C(=O)N3CCC[C@H](C(=O)NCCN)C3)cc12 566403644 JQFGCNOGQWIHPX-LBPRGKRZSA-N 346.406 1.543 0 40 EDAB CCOC(=O)C1=C(C)N(N)C(=S)N[C@H]1c1ccc(O)c(OC)c1 33663747 QPFRZHOGAAZTHX-ZDUSSCGKSA-N 337.401 1.343 0 40 EDAB Cc1cc(S(=O)(=O)N2C[C@H]3C[C@@H]2C(=O)O3)c(Cl)cc1Cl 75162593 HCIVMKUTXDRHGW-GMSGAONNSA-N 336.196 1.990 0 40 EDAB CCOc1ccccc1NC(=O)C[C@@H]1Cn2nc(C)nc2NC1=O 40386675 IQTFKNBYUSGTFJ-LLVKDONJSA-N 329.360 1.582 0 40 EDAB O=C(N[C@H]1CO[C@@H](CN2CCC(F)(F)C2)[C@@H]1O)c1cccc(F)c1 514288914 JUENUWWTOKDOGK-MELADBBJSA-N 344.333 1.025 0 40 EDAB biogenic,in-vitro CSc1ncccc1C(=O)N[C@H]1CCc2nn(C)c(=O)cc2C1 225787831 GUGGUFJYXUWKKR-NSHDSACASA-N 330.413 1.185 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](N3C(=O)COC3=O)C2)c1 225703488 ZWEKPKLQTBVYLD-LBPRGKRZSA-N 338.385 1.045 0 40 EDAB CCc1noc(CC)c1CNS(=O)(=O)c1scnc1C(=O)O 573115959 XYEHWUSLZDBSLQ-UHFFFAOYSA-N 345.402 1.433 0 40 EDAB CC(C)CN1CC2(CN(CCc3ccccc3)C[C@@H]3C[C@@H](O)CN32)C1 514290244 VLZIZAQGPMKOEA-VQTJNVASSA-N 343.515 1.690 0 40 EDAB biogenic,in-vitro CN(C)C(=O)c1ccc(NC(=S)NCCCn2ccnc2)cc1 225522229 LYRCCYBAFWPBAX-UHFFFAOYSA-N 331.445 1.962 0 40 EDAB COC(=O)c1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)n1 88347289 HOXIJDBMDNNOQP-UHFFFAOYSA-N 331.353 1.763 0 40 EDAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCN(C[C@@H](O)C2CC2)CC1 85436568 IFCWEGAJJPPYMK-OAHLLOKOSA-N 330.388 1.198 0 40 EDAB O=C1CC[C@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CN1 96502316 CFERUBODZZPEFD-VIFPVBQESA-N 340.214 1.942 0 40 EDAB c1cn(C[C@@H]2CO[C@@]3(COCCN(Cc4nccs4)C3)C2)cn1 96052062 CVGKIGPOMYYMGB-ZBFHGGJFSA-N 334.445 1.647 0 40 EDAB O=C(c1ccoc1)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 96202315 COQQNTNQRNHGJY-KRWDZBQOSA-N 328.372 1.439 0 40 EDAB COc1ccc(CC(=O)N2Cc3nccn3C[C@@H](CN(C)C)C2)cc1 96188228 JYGTZAYTAXPFNR-MRXNPFEDSA-N 342.443 1.654 0 40 EDAB O=C(NC1(C(=O)NCC2CC2)CCCC1)[C@@H]1Cc2ccccc2O1 96454584 RGJAZMVMRWRZAC-INIZCTEOSA-N 328.412 1.945 0 40 EDAB O=C(CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O)NC1CCCC1 97237063 ASSUODFGNSLVHU-LJQANCHMSA-N 326.396 1.688 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@@]3(C[C@@H](CN4CCCC4)CO3)C2)c1 96228407 BRGPTFBYZZANJU-MAUKXSAKSA-N 332.448 1.527 0 40 EDAB O=C(c1cnccn1)N1CCc2ncnc([C@H]3CCOC3)c2CC1 96058670 VSRMTUSLAWVNMJ-LBPRGKRZSA-N 325.372 1.012 0 40 EDAB COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@H]21 96043313 ZOUIBISNJNHIEL-OWCLPIDISA-N 338.473 1.738 0 40 EDAB COc1cc(CN2C[C@@H]3C[C@H](CC(=O)N(C)C)O[C@@H]3C2)cc(OC)c1 96207408 WZHKAGSKDIZSFV-BMGDILEWSA-N 348.443 1.771 0 40 EDAB CC(C)C(=O)N1CCC2(CC1)C[C@@H](NC(=O)c1ccccn1)CO2 96221198 MVOQIRSYWMVKSS-CQSZACIVSA-N 331.416 1.618 0 40 EDAB COc1ncccc1CN1CC[C@@]2(C[C@@H](N3CCCC3=O)CCO2)C1 96208170 VKWBYSRLVZUHPA-QFBILLFUSA-N 345.443 1.836 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[C@H](N(C)C)C1 96502208 JINIYLQHTJDYGP-GJZGRUSLSA-N 342.509 1.917 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccco3)C2)O1 96206483 XBNWROZHWJWTAX-DZGCQCFKSA-N 328.434 1.342 0 40 EDAB Cc1cc(C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)cnn1 332245196 AODQJXBSWIETGA-UHFFFAOYSA-N 328.372 1.721 0 40 EDAB c1cncc(CN2CCOC[C@]3(C[C@H](CN4CCCC4)CO3)C2)c1 96052027 QGXSIALJKWBLOP-MOPGFXCFSA-N 331.460 1.785 0 40 EDAB CC(C)CN1CCN(S(=O)(=O)c2cn(C)cn2)Cc2cccnc21 96198822 ADJDWCXJXIYCPG-UHFFFAOYSA-N 349.460 1.482 0 40 EDAB COc1ccc(CC(=O)NCc2nccc(N3CCOCC3)n2)cc1 96120872 ADXKQVSKXPQVBP-UHFFFAOYSA-N 342.399 1.181 0 40 EDAB O=C(c1ccncc1C(F)(F)F)N1CC[C@H]2OCC(O)=N[C@@H]2C1 330033037 VTJFPMMTVHGBBE-GHMZBOCLSA-N 329.278 1.670 0 40 EDAB Cc1c(C(=O)N2CC[C@](O)(c3cnn[nH]3)C2)cnn1C1CCCC1 583619142 VUKPNTDDVWKIMN-MRXNPFEDSA-N 330.392 1.158 0 40 EDAB O=C1CCCN1Cc1nnc2n1CCCN(C(=O)c1ccco1)C2 96259630 XNLUMBNANMQTJV-UHFFFAOYSA-N 329.360 1.040 0 40 EDAB COCC(=O)N1CC2(C[C@@H](OCc3csc(C)n3)CS2)C1 247996030 AGYFQKSXOGQSSY-GFCCVEGCSA-N 328.459 1.701 0 40 EDAB O=C1CN(C(=O)[C@H]2CC[C@H](O)CC2)C[C@@H]2c3ccccc3CCN12 245189532 OKTGUGBZQBTMHZ-BFYDXBDKSA-N 328.412 1.506 0 40 EDAB COCc1cc(NCc2ccn(-c3ccc(OC)cc3)n2)ncn1 584674864 QQMCKXFLYDUOCN-UHFFFAOYSA-N 325.372 2.429 0 40 EDAB COc1nc(OC)nc(N2CCC[C@H](c3ccnc(N(C)C)c3)C2)n1 257345089 ZZXHVBDACCFQGN-ZDUSSCGKSA-N 344.419 1.734 0 40 EDAB Cn1cnc(NC(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)n1 585090739 CDGGQUMCBKIASI-BDJLRTHQSA-N 335.408 1.791 0 40 EDAB Cc1cc(N2CCC(c3nc(N)n[nH]3)CC2)nc(-c2ccccn2)n1 585092983 XHOMPVKUJRIBJF-UHFFFAOYSA-N 336.403 1.931 0 40 EDAB COc1ccc(Cc2noc([C@@H]3COCCN3C(C)=O)n2)cc1OC 585081633 JCGNXADAZRLOMS-ZDUSSCGKSA-N 347.371 1.597 0 40 EDAB O=C(CCC1(O)CCC1)NC[C@H](c1cccs1)N1CCOCC1 585135307 AVSOFRNSSIFQGE-CQSZACIVSA-N 338.473 1.933 0 40 EDAB CCCn1nccc1-c1cc(C)nc([C@@H]2CCN(S(C)(=O)=O)C2)n1 257244154 IKDLMQVBFZFQOJ-CYBMUJFWSA-N 349.460 1.807 0 40 EDAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)[C@H](C(N)=O)C1 257329458 XKBQJPUOONQNLX-HNNXBMFYSA-N 343.383 1.246 0 40 EDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2cc(C)on2)n1 257240048 HRVBRQAOHOVSIU-INIZCTEOSA-N 328.372 1.991 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC[C@@H]1O 257298125 RKGNGJAOWLCEPO-ROUUACIJSA-N 330.428 1.206 0 40 EDAB CCCCNS(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 26745563 PZPUOLJITCNXQL-UHFFFAOYSA-N 327.374 1.761 0 40 EDAB CN(C(=O)c1cccc(C(=O)O)c1)c1ccc(N2CCOCC2)nc1 263421622 LFXFGRJZAGQABL-UHFFFAOYSA-N 341.367 1.893 0 40 EDAB Cc1nc(O)cc(N2CCN(c3ccc(CN(C)C)cn3)CC2)n1 1614998745 BYDXMLXQPHXAGU-UHFFFAOYSA-N 328.420 1.274 0 40 EDAB CSC[C@](C)(O)CNc1ncccc1S(=O)(=O)NCC1CC1 1615045796 DLZZYMWOODHQNC-CQSZACIVSA-N 345.490 1.296 0 40 EDAB CC[C@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(CO)n1 1615056177 LWKVTGOICWAQNI-INIZCTEOSA-N 327.384 1.399 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)N1CCN(C2CCC2)CC1 1615613803 BUYYFFUCBUKXGO-LJQANCHMSA-N 329.444 1.492 0 40 EDAB Cc1nc(N(C)C)nc(C)c1NC(=O)CNC(=O)c1ccccc1 96098534 XGMSIIVQQXCSFN-UHFFFAOYSA-N 327.388 1.528 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 96025919 SDOGILAPEUUMEN-UHFFFAOYSA-N 331.463 1.281 0 40 EDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 563351711 NBVLCVGFQCTFAQ-UQOMUDLDSA-N 339.413 1.342 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCCN1C(=O)c2cccnc2C1=O 390831301 RCLXCKYKSSBCHI-GFCCVEGCSA-N 339.351 1.261 0 40 EDAB O=S(=O)(Cc1ccccc1F)N1CC[C@H](Oc2ccncn2)C1 575612750 MEKKPIRVFJXDPG-ZDUSSCGKSA-N 337.376 1.599 0 40 EDAB CN1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)[C@@H](CO)C1 585141556 CUAWHDKOJNVMQO-GFCCVEGCSA-N 346.258 1.930 0 40 EDAB Cn1nc(C(=O)N[C@@H]2CCCC[C@@H](O)[C@@H]2O)cc1-c1ccc(F)cc1 585267205 JCUVTXAVKVQSRG-KBRIMQKVSA-N 347.390 1.620 0 40 EDAB Cc1ccccc1OC[C@]1(O)COCCN(C(=O)c2cn(C)cn2)C1 585277390 VWHANQOGULYZLX-GOSISDBHSA-N 345.399 1.011 0 40 EDAB O=C(c1ccncn1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 585268818 AGNJRBAUNZFLFO-QGZVFWFLSA-N 331.347 1.662 0 40 EDAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)Nc1cnn(CCO)c1 69256867 OAEWRYMUEZWISG-UHFFFAOYSA-N 329.360 1.868 0 40 EDAB COc1ccccc1CN(C)C(=O)C[S@@](=O)Cc1cc(C)on1 69527651 HBRDFFAYBXBHSF-HSZRJFAPSA-N 336.413 1.899 0 40 EDAB C[C@@H](NC(=O)N1CCC[C@@H](CO)C1)C(=O)N1CCc2ccccc21 71855140 LQAFOIOMPSEBKL-ZIAGYGMSSA-N 331.416 1.378 0 40 EDAB Cn1cc(CNC2CCN(C(=O)C3CC3)CC2)c(-c2cccnc2)n1 71825202 MHTIFIABUFUIPC-UHFFFAOYSA-N 339.443 1.973 0 40 EDAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)CCn2cncn2)c1 49125026 GLFNZYWPAOVCHL-ZDUSSCGKSA-N 329.404 1.513 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)CN2CCOc3ccccc32)c1 57991964 HARURMHQUIZKAT-UHFFFAOYSA-N 347.396 1.172 0 40 EDAB CC(C)c1noc(CCCNC(=O)c2ccccc2-n2cnnn2)n1 61457460 NLWBKTJXMMVXAJ-UHFFFAOYSA-N 341.375 1.531 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)c2sccc2-n2cnnn2)C12CCC2 89985793 ZMXBRKKAUKEWIA-RYUDHWBXSA-N 333.417 1.801 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NC[C@@]2(OC)CCSC2)c1 96097690 ZEJQFRHACHZBLX-AWEZNQCLSA-N 347.458 1.504 0 40 EDAB Cc1cnc(COCC(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)o1 557067126 MKFMHAQMCVOYKX-GJZGRUSLSA-N 334.347 1.973 0 40 EDAB OC1(CN2CCC[C@](O)(COc3ccc(F)cc3)C2)CCOCC1 1615142823 BJKOMOMIGVZRSA-GOSISDBHSA-N 339.407 1.573 0 40 EDAB C=C[C]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C1CC1 1560407508 MKPGILNQWUXUQE-CQSZACIVSA-N 329.398 1.022 0 40 EDAB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCC#N)N(C)C1=S 8091456 ZKQMWJBIBQHGDZ-XFXZXTDPSA-N 345.380 1.162 0 40 EDAB CC(C)c1nc2ccccc2c2nn(CC(=O)NC3CC3)c(=O)n12 12145094 ZZBCKDNCYGDFRZ-UHFFFAOYSA-N 325.372 1.446 0 40 EDAB C[C@H]1CCCCN1C(=O)Cn1nc2n(C)c3ccccc3n2c1=O 12145271 CTADZHRIVWRFPV-LBPRGKRZSA-N 327.388 1.389 0 40 EDAB O=C(C[C@H]1SC[C@H](C(=O)O)NC1=O)Nc1cccc(Cl)c1 13636872 ZSMVOFTXFXRUEK-NXEZZACHSA-N 328.777 1.353 0 40 EDAB Cc1nn(C)cc1CNS(=O)(=O)c1ccc(Br)cc1 14249248 KWKFCADQHMHWGZ-UHFFFAOYSA-N 344.234 1.970 0 40 EDAB COC(=O)C[C@H](NC(=O)[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(=O)OC 15108482 LMYZZFMHOYGRJD-CRWXNKLISA-N 327.421 1.916 0 40 EDAB Cn1cncc1CN1CCC[C@H](c2nnsc2S(C)(=O)=O)C1 19291824 FMQQGPBSNZTTJG-JTQLQIEISA-N 341.462 1.055 0 40 EDAB C[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cnccn1 19574233 KFVVTVLFSGRHNK-VIFPVBQESA-N 331.357 1.173 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 19583511 AWMVCZBPHJDYTQ-ZDUSSCGKSA-N 341.415 1.251 0 40 EDAB CCN(C(=O)Cn1ncc2ccccc2c1=O)C1CCN(C)CC1 19656501 LKADELSCCZBHRF-UHFFFAOYSA-N 328.416 1.339 0 40 EDAB CC1(C(N)=O)CN(C(=O)c2csc(Cc3cccc(F)c3)n2)C1 567951734 JJLYNZIFBBQLLW-UHFFFAOYSA-N 333.388 1.820 0 40 EDAB CN1c2ccc(F)cc2N(CCNC(=O)NC(C)(C)C)S1(=O)=O 575611560 GBPFTQWTXBWTML-UHFFFAOYSA-N 344.412 1.424 0 40 EDAB O=C(CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O)NCCC1=CCCCC1 583614692 DUMSEKXDABUPJJ-KURKYZTESA-N 336.476 1.855 0 40 EDAB CCOC(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 390829341 DSPINHODIKMEPQ-UHFFFAOYSA-N 339.417 1.809 0 40 EDAB CC(=O)Nc1cnn([C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2)c1 1888875690 XLUOEUGNDHLLMP-OAHLLOKOSA-N 346.362 1.833 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)nc(C2CC2)n1 1888875838 MIPGNVLWICUOIP-HNNXBMFYSA-N 344.415 1.126 0 40 EDAB COc1ccc(S(=O)(=O)N(C)C2CN(c3ccccn3)C2)cc1C 1888879162 ARJIFSMMLCHALU-UHFFFAOYSA-N 347.440 1.908 0 40 EDAB CCOc1ccc2nnc(CNS(=O)(=O)c3ccccc3)n2n1 238868639 MJBRXEDOFIPWCH-UHFFFAOYSA-N 333.373 1.002 0 40 EDAB Cc1ccc(CC(=O)N2CCO[C@@]3(CCCCN(C)C3=O)C2)cn1 2037985653 RAQQJIHFVRZZNZ-SFHVURJKSA-N 331.416 1.172 0 40 EDAB O=S(=O)(N[C@H]1CO[C@]2(CCCNC2)C1)c1ccc(F)cc1F 2056225988 HCSKAURKKXYNDK-BXUZGUMPSA-N 332.372 1.154 0 40 EDAB Cc1cc(N2CCN(Cc3nc(C)no3)CC2)nc(N2CCCC2)n1 2087124867 OOZMCGWCZKMMFZ-UHFFFAOYSA-N 343.435 1.399 0 40 EDAB O=C(c1ccsc1)N1C[C@H]2[C@@H](C1)OCCN2Cc1cccnc1 1565543198 QERJBCVTNFSRAS-JKSUJKDBSA-N 329.425 1.869 0 40 EDAB CCN1C[C@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@@H](C1)O2 1565550982 KUCMXQRCVHLCCK-BETUJISGSA-N 334.807 1.533 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C[C@H](NCCCO)C(=O)O 4357154 YTTLRWHWBLPMJW-NSHDSACASA-N 330.768 1.102 0 40 EDAB Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CC[C@@H](CF)C1)CS2 1848762867 XGPCNWDTDZWYCI-RYUDHWBXSA-N 325.409 1.715 0 40 EDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)c2ccccc2)CC1 2055772902 TYHKBTXGLGTGGR-UHFFFAOYSA-N 326.400 1.603 0 40 EDAB CCc1nc(N)n(CC(=O)NCc2ccc(F)cc2F)c(=O)c1C 49411049 CWIHCHBWHUKXFQ-UHFFFAOYSA-N 336.342 1.291 0 40 EDAB O=C(CSc1ccncc1)NCCn1ccnc1-c1cnccn1 585147609 DJWMKQQOGZTNAW-UHFFFAOYSA-N 340.412 1.644 0 40 EDAB COc1cc(CNC(=O)[C@@H](C)n2nc3c(cc2=O)CCC3)ccn1 585150243 HQMIZZFYTFSSHD-LLVKDONJSA-N 328.372 1.013 0 40 EDAB O=C(c1cc(O)ncn1)N1CCN(c2ccc(F)c(Cl)c2)CC1 585356500 AZPFVPBCMUYJGS-UHFFFAOYSA-N 336.754 1.937 0 40 EDAB Cc1cccc(OCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 40496288 AGINZBHTAFBNRM-CQSZACIVSA-N 340.445 1.162 0 40 EDAB CN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)Cc1ccc(F)c(F)c1 40496350 IQPPBXGGIFGMJO-OAHLLOKOSA-N 346.399 1.090 0 40 EDAB Cc1oc(C)c(C(=O)NCCCN(C(C)C)S(C)(=O)=O)c1C 40535321 HEOCKWMTQUEUKH-UHFFFAOYSA-N 330.450 1.995 0 40 EDAB C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 40501151 LUVNAKAELPNFLL-LLVKDONJSA-N 343.424 1.610 0 40 EDAB Cn1c(=O)n(CCC(=O)N[C@H]2CCN3CCCC[C@H]23)c2ccccc21 40534772 RDRYBEFFMPKCFI-LSDHHAIUSA-N 342.443 1.473 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)[C@H]2C(=O)NN=C2C[C@@]1(C)O 101392630 ZBLYMLQDNQKVRH-LDDOYCOJSA-N 346.383 1.215 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1C 32744473 QSYFDFGTSIQXOY-UHFFFAOYSA-N 347.440 1.778 0 40 EDAB Cn1c(S)nc2cc(C(=O)NCCc3cccnc3)ccc2c1=O 102934154 VETMXLYYYDCGQZ-UHFFFAOYSA-N 340.408 1.590 0 40 EDAB Cc1ccc2c(c1)N(CCC(=O)NCCC(=O)O)C(=O)C(C)(C)O2 33520768 VQZGAHKUPSTTRL-UHFFFAOYSA-N 334.372 1.480 0 40 EDAB CC[C@@H](NC(=O)c1ccc(CNC(=O)[C@@H]2CCCO2)cc1)C(=O)O 33520398 QCKAQRKQYRREBJ-KGLIPLIRSA-N 334.372 1.075 0 40 EDAB C[C@@H]1C[C@H](OC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C(=O)O1 53706835 LWTAXWHTRGSUSB-ZLDLUXBVSA-N 346.383 1.249 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 53892226 PHMXYBCOAFWPSS-NSHDSACASA-N 332.331 1.945 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@@]3(COC[C@@H]3CO3)O2)cc1 531331 XFUHVCZVGQJFMO-TVEAVKIZSA-N 341.363 1.223 0 40 EDAB NC(=O)COc1ccc(/C=C/C(=O)N2CCN3CCCC[C@@H]3C2)cc1 71839930 DVLJPICCFBEWPE-YXMGTMDOSA-N 343.427 1.261 0 40 EDAB CN(c1cccnn1)C1CCN(C(=O)CCNc2ncccn2)CC1 71863504 UVOFSQZPMRUENM-UHFFFAOYSA-N 341.419 1.196 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2noc(=O)[nH]2)c1 104390206 JQMCHJIQWGIKAR-ZDUSSCGKSA-N 344.371 1.760 0 40 EDAB CNS(=O)(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 78258482 OAOHUHNNENZUNB-SNVBAGLBSA-N 334.239 1.362 0 40 EDAB O=C(NC[C@H](O)c1ccccc1F)c1cc2c([nH]c1=O)CCCC2 78973056 FBJMGLUFANBFHF-INIZCTEOSA-N 330.359 1.856 0 40 EDAB OCCOc1ccc([C@H](Cc2ccccc2)N(CCO)CCO)cc1 1668866 CPZGTZLPRZWQTM-FQEVSTJZSA-N 345.439 1.628 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@@H]2c2ccncc2)ccc1=O 42796537 VURMQLVERSFSTM-OAHLLOKOSA-N 328.372 1.262 0 40 EDAB Nn1c(SCC(=O)N2CCc3ccccc32)nnc1C(F)(F)F 3137652 DDRJHXPCCYEYJM-UHFFFAOYSA-N 343.334 1.692 0 40 EDAB CCc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 24095535 QMJPAOQBWYNQSR-OIISXLGYSA-N 329.396 1.940 0 40 EDAB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CC(n2cccn2)C1 71879055 OKVHMVPWVWOBEF-CJNGLKHVSA-N 326.400 1.768 0 40 EDAB O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CC1 7989061 YTOWEMJMMNVCSU-UHFFFAOYSA-N 336.335 1.652 0 40 EDAB CC(C)(C)n1ncc(C(=O)N2CC[C@@H](C(N)=O)C2)c1C(F)(F)F 71821065 JNCKAEDHDXYBEC-MRVPVSSYSA-N 332.326 1.604 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Oc1ccc(F)cc1 101375154 JNRORLUEXNJJDR-WQXBFISLSA-N 341.338 1.784 0 40 EDAB Cc1ccc(NC(=O)CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)nc1 71893085 BZLVRMRSFSAFII-LLVKDONJSA-N 344.337 1.424 0 40 EDAB COCc1ccccc1CNC(=O)Nc1ccc(S(N)(=O)=O)cc1 24740886 RYEVWJJBLMVCGH-UHFFFAOYSA-N 349.412 1.802 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2)ccc1OC 8476008 FKRSPEULEALZES-UHFFFAOYSA-N 338.360 1.995 0 40 EDAB Cn1c(SCc2cc(=O)[nH]c(CO)n2)nnc1-c1cccs1 57355767 ONELJPBMDNLJBK-UHFFFAOYSA-N 335.414 1.412 0 40 EDAB CCn1cc(Br)cc1C(=O)N[C@@]1(C(=O)O)CCSC1 43511044 BKGZYSIUQNCXCS-LBPRGKRZSA-N 347.234 1.961 0 40 EDAB O=C(c1cc(Br)c[nH]1)N1CCN(c2ncccn2)CC1 35179595 HACPTIHIYIMIEV-UHFFFAOYSA-N 336.193 1.530 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](C)Cn1cccn1 57110251 NUXMDOJVLYLDIJ-JTQLQIEISA-N 328.401 1.924 0 40 EDAB O=C(NCCNc1nnnn1-c1ccccc1)[C@H]1C[C@H]1c1ccco1 84572630 VIHCGBQUWYWKNO-KGLIPLIRSA-N 338.371 1.587 0 40 EDAB O=C(Cc1cccnc1)N1CCC[C@]2(CCN(C[C@H]3CCOC3)C2)C1 107191940 JHRBPOVCHQZQNP-UYAOXDASSA-N 343.471 1.975 0 40 EDAB CC(C)[C@H](NC(=O)Cc1cn2ccsc2n1)c1nnc2n1CCC2 95393220 PPZYOCCBQFLKQW-AWEZNQCLSA-N 344.444 1.990 0 40 EDAB CC[C@H]1CN(C(=O)CCCNc2ncccn2)C[C@@H]1N1CCOCC1 84735788 JIIOLQPMPRMWMW-HOTGVXAUSA-N 347.463 1.238 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2cccc(OC)c2)C1=O 27662064 AYHHLSLTQRGPNG-OAHLLOKOSA-N 337.401 1.539 0 40 EDAB Cc1cc2n(n1)C[C@H](CNC[C@H](O)COc1c(C)cccc1C)CN2 58299023 QKQIWIVQNGQQGN-SJORKVTESA-N 344.459 1.880 0 40 EDAB CCOc1cccc2c1OCC(C(=O)NCc1nnc3n1CCC3)=C2 44939772 ILCWHFQZEXNMQD-UHFFFAOYSA-N 340.383 1.715 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)NC[C@@H](C)N2CCOCC2)n1 44954608 JEMDUXUDCNCOIQ-XJKSGUPXSA-N 337.468 1.156 0 40 EDAB CC(=O)N1CCN(C(=O)NCc2ncc(-c3ccccc3)o2)CC1 44971391 VFXWZQWXAGEEAP-UHFFFAOYSA-N 328.372 1.715 0 40 EDAB COc1ccc([C@@H](CNS(=O)(=O)N2CCCCC2)N(C)C)cc1 44906914 MQYHEPYHNNGELJ-MRXNPFEDSA-N 341.477 1.618 0 40 EDAB Cc1c(CCC(=O)NCCC(=O)O)c(=O)oc2c(C)c(O)ccc12 2106493 HQESFGWLLUEBFG-UHFFFAOYSA-N 333.340 1.639 0 40 EDAB biogenic O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2nc3ccccc3o2)C1 48164257 WGAJPLNCMAWMQJ-QWHCGFSZSA-N 348.424 1.969 0 40 EDAB CCOC(=O)[C@H](CNS(=O)(=O)N(C)C(C)C)Cc1ccccc1 58363537 FSGUHDKHWKITRR-HNNXBMFYSA-N 342.461 1.583 0 40 EDAB O=C(c1cccs1)N1CCCN(S(=O)(=O)CC2CC2)CC1 95406741 IMGOCYXCEBKXBB-UHFFFAOYSA-N 328.459 1.636 0 40 EDAB Cc1nn(C)c(C)c1C(=O)C(=O)NC[C@]1(O)CCc2ccccc21 95434779 XOHFZTUTTPCRSU-GOSISDBHSA-N 327.384 1.170 0 40 EDAB CN(Cc1ccc(Br)o1)C(=O)Cn1ccccc1=O 36390911 GKNPDBYELNUIIT-UHFFFAOYSA-N 325.162 1.862 0 40 EDAB O=C(Cn1ccnc1)NCC(=O)Nc1ccccc1Br 10809781 HZXTYMVJAFVENQ-UHFFFAOYSA-N 337.177 1.401 0 40 EDAB Cc1ccc(CN(C)C(=O)Cn2nnn(-c3cccs3)c2=O)cc1 10813881 BMYHHCLIMIVRTF-UHFFFAOYSA-N 343.412 1.458 0 40 EDAB C[C@H](CCc1ccc(O)cc1)NC(=O)NC[C@@H]1CCS(=O)(=O)C1 45380119 DISNZUCGVVCASN-OCCSQVGLSA-N 340.445 1.447 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 95417389 GYVJMJDRKUTCCE-KBPBESRZSA-N 344.333 1.866 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(C(C)=O)c[nH]2)cc1 11006747 IAWNBXULUSNZQV-UHFFFAOYSA-N 349.412 1.197 0 40 EDAB CN1CCC(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 95445956 YILINKHRZPMOMY-RTBURBONSA-N 345.487 1.327 0 40 EDAB CCc1nnsc1C(=O)NC[C@@H](C(CC)CC)N1CCOCC1 36705352 OTEWSDDFYHPRHV-AWEZNQCLSA-N 340.493 1.967 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCCN3CCC[C@@H](C)C3)CC2)on1 46381652 WVZLZPAOTARTJF-OAHLLOKOSA-N 349.479 1.542 0 40 EDAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 100622283 GYSZDHKATPXQEB-VGWMRTNUSA-N 348.374 1.353 0 40 EDAB Cc1nnc(N2C[C@@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)s1 107715356 YNUPYJBYFOTGCY-IACUBPJLSA-N 348.428 1.740 0 40 EDAB CC(=O)Nc1nc(C(=O)Nc2cccc(N3CCNC3=O)c2)cs1 47042267 UMSWAHLOPMLLBZ-UHFFFAOYSA-N 345.384 1.883 0 40 EDAB Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccc(Cl)c2)no1 3403304 CCOUHNOYWFSMJH-UHFFFAOYSA-N 343.792 1.896 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)NCc2nnc3n2CCCCC3)c1 48439303 YUZMDKALVUHNOX-UHFFFAOYSA-N 348.428 1.686 0 40 EDAB CN(C)c1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 3565711 VPWVVTXAOPDSTG-UHFFFAOYSA-N 347.440 1.373 0 40 EDAB CCOC(=O)CC(=O)CSc1nc2sc(C)cc2c(=O)n1C 5017178 QJJWABXBCJVJGX-UHFFFAOYSA-N 340.426 1.918 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)CNC(=O)c2ccccc2)CC1 13727584 NDDQFUZICXBVLB-UHFFFAOYSA-N 331.416 1.180 0 40 EDAB Cc1ccccc1Cn1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 4370632 PYSGPUURPJEODB-UHFFFAOYSA-N 337.383 1.352 0 40 EDAB CCOc1ncnc2c1CN(Cc1cc(=O)n3ccccc3n1)CC2 65458364 SRQQLVQLLOLHAE-UHFFFAOYSA-N 337.383 1.442 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c(=O)[nH]1 14201621 YFXMXMNHDHYHOM-HNNXBMFYSA-N 326.352 1.390 0 40 EDAB CC(=O)c1cccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c1 9227353 MOFXJOGFOAABOL-UHFFFAOYSA-N 338.429 1.714 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(Cl)cc1 6654259 IKMQJDXOKUZFJI-SSDOTTSWSA-N 340.796 1.252 0 40 EDAB O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1ccc2ccccc2c1 4734958 VHXBXNVDGFKAFW-UHFFFAOYSA-N 339.351 1.971 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 67162584 KVPFMTUHEDJTBZ-CHWSQXEVSA-N 339.436 1.561 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(C(F)(F)F)n2N)C1 5993544 MYNJNOOFTNPRSY-HTQZYQBOSA-N 337.371 1.607 0 40 EDAB O[C@H]1CCCN(C[C@@H](O)COc2cccc(Br)c2)C1 5980374 FKJRGJFTTGBHLP-QWHCGFSZSA-N 330.222 1.646 0 40 EDAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C=O)cc2)cc1 5944224 IKXCTCBFTAGQJX-UHFFFAOYSA-N 326.308 1.394 0 40 EDAB COc1cc(S(=O)(=O)Nc2cn[nH]c2)ccc1Br 90230874 HXJZULJGKHYVKO-UHFFFAOYSA-N 332.179 1.982 0 40 EDAB O=C(NCCn1ncc2ccccc2c1=O)[C@H]1Cc2ccccc2CN1 67689284 FGWBXOMOQDYYLN-GOSISDBHSA-N 348.406 1.227 0 40 EDAB CCOC(=O)CSc1nnc(Cn2c(C)nc3ccccc32)n1N 7465661 MGUYJJVDSCKYGF-UHFFFAOYSA-N 346.416 1.354 0 40 EDAB Cc1nnc(NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)s1 68647225 CLWZCNALTOZQLE-SSDOTTSWSA-N 338.311 1.948 0 40 EDAB Cc1noc(N)c1C(=O)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 16327053 CXUXTZOKWAFKIH-CQSZACIVSA-N 345.355 1.322 0 40 EDAB Cc1ccccc1N1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 8022226 AYGBNROEDMUCRW-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCCN(c2cccnn2)C1 70006393 GLCNPXVWULPFEA-CQSZACIVSA-N 327.436 1.583 0 40 EDAB C[C@@H](CNC(=O)c1cnn(C)c1-c1ccccc1)N1CCOC[C@@H]1C 96492254 IRJLZHSOUWMCJY-GJZGRUSLSA-N 342.443 1.926 0 40 EDAB C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 8313818 SSTULSIUJKAVOG-SECBINFHSA-N 344.400 1.474 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)c1 69416099 UBPODNOFNGJEBH-LBPRGKRZSA-N 329.393 1.908 0 40 EDAB O=C(CCN1CCC[C@@H]1c1ccc2c(c1)OCO2)N1CCOCC1 69570164 KCKUEYKKGLTBLM-OAHLLOKOSA-N 332.400 1.801 0 40 EDAB FC(F)(F)Cn1ccnc1CN1CCC[C@@H](Cn2cncn2)C1 69628691 RFWITFXZHWIYTH-GFCCVEGCSA-N 328.342 1.949 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)NS(=O)(=O)C[C@@H]1CCCCO1 69618255 IUOXXJFGXXFBGF-ZDUSSCGKSA-N 336.413 1.726 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2cccc3cccnc23)C1=O 9592759 UNHJKAUFGLOONR-GOSISDBHSA-N 338.367 1.894 0 40 EDAB c1ccc(-n2nnc3c(N[C@H]4CCc5ncnn5C4)ncnc32)cc1 69708581 TXPHFYQYJMKKJP-NSHDSACASA-N 333.359 1.229 0 40 EDAB CN(C1CCN(CCC(=O)NC2CCCCC2)CC1)S(C)(=O)=O 69772572 XIIPMVQFSZGJIY-UHFFFAOYSA-N 345.509 1.181 0 40 EDAB O=C(c1cn(-c2ccc(F)cc2)nn1)N1CCCN2CCC[C@H]2C1 69701620 LOALNPFNNIVOLF-HNNXBMFYSA-N 329.379 1.717 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)NCCO[C@H]2CCCC[C@H]2C)CCO1 69705856 SMPPFZBBCCYISM-RDBSUJKOSA-N 328.409 1.165 0 40 EDAB NC(=O)c1ccc(Cl)cc1NC(=O)CNC(=O)Cc1ccccc1 69896469 AFOQMMZRHIBIFD-UHFFFAOYSA-N 345.786 1.736 0 40 EDAB O=C([C@H]1COc2ccccc2C1)N1CCCN(c2cccnn2)CC1 69948864 DPTQCSHEZIXVHY-MRXNPFEDSA-N 338.411 1.767 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cc3cc(C)ccc3o2)CC1 71881940 KQFWVTNBHFMNSO-INIZCTEOSA-N 346.427 1.896 0 40 EDAB O=C1CCN(CCCS(=O)(=O)c2ccc(Cl)cc2)CCN1 71841162 FDCLBQCQUXCHTB-UHFFFAOYSA-N 330.837 1.326 0 40 EDAB Cc1c(C(=O)Nc2cnn(-c3ncccn3)c2)cnn1-c1ccccn1 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SNEXNELHTJPLKM-JTQLQIEISA-N 334.825 1.160 0 40 EDAB CCCNC(=O)[C@@H](C)N(C)CCCCN(C)[C@H](C)C(=O)NCCC 106801551 YJRZDUBUQGKRGZ-HZPDHXFCSA-N 342.528 1.460 0 40 EDAB COc1ccsc1C(=O)N1CCN(C[C@H]2CCCCN2C)CC1 107284500 XTHSVUOWDCZHOT-CQSZACIVSA-N 337.489 1.999 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)Cc1ccc(OC(F)(F)F)cc1 48043274 UXTDKUDQIMUDLV-UHFFFAOYSA-N 330.306 1.865 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3noc4c3CCCC4)CC2)n1 57176909 OVVPLSVMGDVTDT-UHFFFAOYSA-N 343.387 1.314 0 40 EDAB Cc1cc(=O)n(CC(=O)NC[C@H]2CCCO2)c(-c2ccccc2)n1 57526323 GCBHZSJRJAZGKK-OAHLLOKOSA-N 327.384 1.514 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)CCN1C(=O)c2ccccc2C1=O 58014134 QPNQAMQWYWDDCL-NEPJUHHUSA-N 345.399 1.092 0 40 EDAB Cc1cc(NC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)on1 58228792 DMPVDVCVCLKRIG-UHFFFAOYSA-N 342.363 1.014 0 40 EDAB Cn1ccc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1=O 58281313 AZGRMESOGVCQJS-ZDUSSCGKSA-N 340.301 1.868 0 40 EDAB Cc1ncc(CN2CCC3(CC(NC(=O)c4cnccn4)C3)C2)cn1 108525101 BFIGFOAKLODUBD-UHFFFAOYSA-N 338.415 1.360 0 40 EDAB CNC(=O)NC(=O)CNc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C 58281401 IRCXVYLIUUQAMD-GFCCVEGCSA-N 346.431 1.735 0 40 EDAB C[C@@H](CNC(=O)NCc1cnn(-c2ccccc2)c1)N1CCOCC1 44953173 OOBRCSKFYJKFTC-HNNXBMFYSA-N 343.431 1.392 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C)cc(C)c1C 44915465 AAASJELPJSELAK-NSHDSACASA-N 326.418 1.072 0 40 EDAB O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCCN1CCOCC1 72293083 CJWDHDIKVJYCBD-OAHLLOKOSA-N 345.365 1.328 0 40 EDAB O=C(COC(=O)c1ccc(Cn2cncn2)cc1)NCc1ccco1 10655097 VIDOHTCSSBAYBP-UHFFFAOYSA-N 340.339 1.393 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CN1CCSC1=O)c1ccc(F)cc1 10656552 SAXYAIVMLSECOV-AWEZNQCLSA-N 348.403 1.934 0 40 EDAB CC(C)N(C)C[C@@H]1CO[C@]2(COCCN(C(=O)N3CCCC3)C2)C1 107738747 BJROJFCKNVYNAG-SJLPKXTDSA-N 339.480 1.650 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCCO1 28326855 IOXJJSHFNKJZJH-YPMHNXCESA-N 327.402 1.694 0 40 EDAB COc1cc(F)c(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)cc1OC 28326106 VYHAHUQRYZMLEM-KOLCDFICSA-N 333.381 1.689 0 40 EDAB CO[C@H]1CC[C@H](C(=O)NCCc2nc(-c3ccncc3)n[nH]2)CC1 100162518 GPTCWXYCZPBARG-OKILXGFUSA-N 329.404 1.731 0 40 EDAB Cn1cc(CCNC(=O)NC2CCN(Cc3ccccn3)CC2)cn1 45754796 PUFIWKIIQQLFGI-UHFFFAOYSA-N 342.447 1.321 0 40 EDAB COCCN1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 29838027 BBTDIDRMUFGIAA-UHFFFAOYSA-N 349.456 1.496 0 40 EDAB Cc1cc2ccccc2n1CC(=O)NC1CCN(CC(N)=O)CC1 46737134 PLIDAEWGBBTKIC-UHFFFAOYSA-N 328.416 1.016 0 40 EDAB CS(=O)(=O)Nc1nnc(NC(=O)c2ccc(Cl)s2)s1 48818843 QHLTUTAFGGFNDE-UHFFFAOYSA-N 338.823 1.877 0 40 EDAB COC[C@H](CCO)NC(=O)c1cccn(Cc2cccc(C)c2)c1=O 84210740 UPHCJCLWTXBIGO-INIZCTEOSA-N 344.411 1.332 0 40 EDAB Cc1n[nH]c(C)c1CNCCN1CCN(Cc2ccccc2)CC1 97159553 MFHMRSWQJWWUOD-UHFFFAOYSA-N 327.476 1.934 0 40 EDAB COCc1cc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)ncn1 93328973 BMLDXVNADXUKEI-GFCCVEGCSA-N 328.376 1.418 0 40 EDAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NC1CC1 4081077 AEAQYCVWAJICDV-QFYYESIMSA-N 334.397 1.552 0 40 EDAB biogenic COc1cc(C)c(NC(=O)C(C)(C)N2CCN(C)CC2)cc1OC 72306869 YZILVJUWMLPVDQ-UHFFFAOYSA-N 335.448 1.977 0 40 EDAB Cc1nnc(CN(C)S(=O)(=O)c2ccccc2OC(F)F)n1C 72307450 HEDQQGWDMQTXKP-UHFFFAOYSA-N 346.359 1.546 0 40 EDAB Cc1cc(CN2Cc3ccnn3C[C@H](CNc3ncccn3)C2)no1 306132273 LDIILJNDQIPSSR-CQSZACIVSA-N 339.403 1.714 0 40 EDAB Cc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 5209805 ULDAOFRNQJKSKL-CYBMUJFWSA-N 335.429 1.380 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nnnn1-c1ccc(Cl)cc1 6654258 IKMQJDXOKUZFJI-ZETCQYMHSA-N 340.796 1.252 0 40 EDAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC3CC3)C2=O)cc1 9419397 USSZGDAZYLFTRO-HNNXBMFYSA-N 345.399 1.217 0 40 EDAB O=c1c2cnc(N3CCCCC3)nc2nc(O)n1Cc1ccco1 67264326 OUOAWEUZGZGDQC-UHFFFAOYSA-N 327.344 1.524 0 40 EDAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccccn1 7098843 OZQNVQGIHMFXCV-UHFFFAOYSA-N 343.358 1.726 0 40 EDAB Cc1nc2n(n1)C[C@@H](Nc1nc3c(cnn3C(C)(C)C)c(=O)[nH]1)CC2 71794517 XGWUVDIDFFAMCG-JTQLQIEISA-N 342.407 1.201 0 40 EDAB O=C(COC(=O)c1ccc(-n2cncn2)cc1)NCc1ccco1 7279178 ZAUSQIYRGYSVIJ-UHFFFAOYSA-N 326.312 1.334 0 40 EDAB CCn1cc(CN2CCC[C@@H](CNC(=O)C3(N)CCCC3)C2)cn1 67725935 AMTUINHTWFNWFI-HNNXBMFYSA-N 333.480 1.503 0 40 EDAB CCCCn1c(SCc2cc(=O)n3ccsc3n2)n[nH]c1=O 7344964 WZSRHOUURHPAMV-UHFFFAOYSA-N 337.430 1.733 0 40 EDAB COc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)ccc1O 67841074 ZLAHNCPTXVZAFA-INIZCTEOSA-N 344.342 1.853 0 40 EDAB O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc2c(c1)OCCO2 68202117 LDSYAHUBVROWBN-HNNXBMFYSA-N 338.363 1.993 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)[C@H]3CCCN3C2=O)c1 9583503 OHUWBGVASWPGDZ-CYBMUJFWSA-N 345.355 1.147 0 40 EDAB NC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2cccnc2)nc2ccccc12 16045362 AGQYHODJZKKHJO-WFASDCNBSA-N 335.367 1.117 0 40 EDAB O=C(c1cc[nH]n1)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 306131378 KCUZBIHOZMTOIF-CQSZACIVSA-N 342.399 1.643 0 40 EDAB CC(=O)N[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C(C)C 7983709 PDPYWRJCWVGLFZ-AWEZNQCLSA-N 341.433 1.036 0 40 EDAB O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc[nH]c1=O 71820078 ZUGWTGZPHRCJSN-UHFFFAOYSA-N 325.368 1.427 0 40 EDAB CN(C)S(=O)(=O)c1ccc(SCC(=O)NC(C)(C)C)nc1 8023736 QMKYGTKVGMVGPU-UHFFFAOYSA-N 331.463 1.339 0 40 EDAB Cc1ccc(N2CCC[C@H](N(C)CC(=O)Nc3cc(C)on3)C2)nn1 71859800 WLGPBUOYHUVIMK-AWEZNQCLSA-N 344.419 1.621 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)on1 71858717 BBXPHVQMXKYMHR-QGZVFWFLSA-N 327.384 1.631 0 40 EDAB Cc1cccc(-n2ccnc2S(=O)(=O)Cc2ncnn2C)c1C 81545919 UXOREINXBQDNQH-UHFFFAOYSA-N 331.401 1.592 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(Cc3cccnc3)CC2)cn1 71841314 OXEOMRVJTYRCSJ-IRXDYDNUSA-N 325.416 1.263 0 40 EDAB CCC1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 71821761 OJGOIFJAKWRLOS-UHFFFAOYSA-N 349.460 1.688 0 40 EDAB CC(C)C(=O)N1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 69246275 CCWHAPSYHFWZOX-UHFFFAOYSA-N 335.423 1.285 0 40 EDAB COc1c(C(=O)OCc2cnn(-c3ccccc3)n2)c(C)nn1C 71900807 WXJDHOSVKVOQJH-UHFFFAOYSA-N 327.344 1.675 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC(N3CCNC3=O)CC2)ccc1F 69418124 LPKWNMNDAFGFFM-UHFFFAOYSA-N 341.408 1.312 0 40 EDAB CCCCn1nnnc1CN1CCN(Cc2nccn2CC)CC1 69432041 UNLZXCLMWPMGKR-UHFFFAOYSA-N 332.456 1.007 0 40 EDAB CCN1CCN(C(=O)/C(=C/c2cccc(F)c2)n2nnnc2C)CC1 69414744 SWFFBZUDVAHLNG-VBKFSLOCSA-N 344.394 1.283 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCO[C@H](Cn2cccn2)C1 69451495 JQHHHTZHYQHGBQ-RDJZCZTQSA-N 340.427 1.562 0 40 EDAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)c(N2CCN(C(C)=O)CC2)n1 69566297 KIEWZAOFAVFDGG-WCQYABFASA-N 332.404 1.353 0 40 EDAB CC(C)COCCC(=O)Nc1ccc(N2CCC[C@@H](C(N)=O)C2)nc1 69594921 UTZOAJVXXQGFDN-CQSZACIVSA-N 348.447 1.785 0 40 EDAB Cc1ccc(OCC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 69569585 LGUUIMUCYLTRAO-QGZVFWFLSA-N 347.459 1.433 0 40 EDAB CCNC(=O)NC(=O)CNC1(CNC(=O)OC(C)(C)C)CCCC1 69616789 BJBVNWRDVXBNRA-UHFFFAOYSA-N 342.440 1.259 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 87086745 QQZDZTBOQWHRPZ-XUWXXGDYSA-N 325.416 1.870 0 40 EDAB Cc1n[nH]c(-c2ccc(NC(=O)[C@@H](C)N3CCN(C)CC3)cc2)n1 95395858 ZRKWNKCHIFVXGR-GFCCVEGCSA-N 328.420 1.355 0 40 EDAB O=C(NC1CCN(CC2CCCCC2)CC1)N[C@@H]1CCCNC1=O 69739040 OZJIJCKLTQODSH-MRXNPFEDSA-N 336.480 1.609 0 40 EDAB CCN(CC)[C@@H](C(=O)NCCCn1nc2ccccn2c1=O)C(C)C 69776573 RWIYOMLQVJFMKS-MRXNPFEDSA-N 347.463 1.369 0 40 EDAB CC(C)Oc1ccc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)cn1 69743407 LGCNBCHFLGPUES-INIZCTEOSA-N 346.475 1.767 0 40 EDAB C[C@@H]1CN(Cc2cc(O)ccc2Br)C[C@H](C(N)=O)O1 92007727 SHNTXWXXYSWVMN-PRHODGIISA-N 329.194 1.229 0 40 EDAB O=C1CN(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CCN1 24364410 BTDHMUBACOEARR-UHFFFAOYSA-N 331.372 1.098 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2ccc(OCC3CC3)nc2)CC1 69981472 IBQFLMMEPRFMBA-MRXNPFEDSA-N 333.432 1.399 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(CC3CC3)C1)C2 69951276 DSTLMKFTHHWPHX-ZDUSSCGKSA-N 331.420 1.002 0 40 EDAB C[C@H](SCc1ccccc1)C(=O)N1CCC[C@H]1CS(N)(=O)=O 69967151 XCGSJFMYBINQBG-JSGCOSHPSA-N 342.486 1.588 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2cccnc2)C1 84671366 HEHLDIJWJMENNU-MRXNPFEDSA-N 341.415 1.965 0 40 EDAB COc1cc(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)ccc1C 84188000 ZKFCDLGZSRVZKW-DLBZAZTESA-N 332.444 1.604 0 40 EDAB C[C@@H]1CO[C@@H](CO)CN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 97083761 XOTOFOJAJKINNB-ZWNOBZJWSA-N 340.786 1.641 0 40 EDAB CNC(=O)c1cccc(N2CCN(CCc3cccs3)CC2)n1 95403103 QLGQBCCSTIAVFB-UHFFFAOYSA-N 330.457 1.867 0 40 EDAB Cn1ccc(CNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)c1 95434541 OKEGQBITDFOWEQ-UHFFFAOYSA-N 345.783 1.395 0 40 EDAB Cc1[nH]ccc1C(=O)N(C)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 97971414 NAPWOKVARFZTOZ-OAHLLOKOSA-N 325.368 1.723 0 40 EDAB CCn1cnnc1CNC(=O)c1sc(-c2ncccn2)nc1C 95954011 UQLBHYCNFQUYDL-UHFFFAOYSA-N 329.389 1.450 0 40 EDAB O=S(=O)(Cc1c(F)cccc1F)NCc1nnc2ccccn12 89878874 QJDOIRPFOCIPMM-UHFFFAOYSA-N 338.339 1.627 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2noc(C3CC3)n2)n(C)n1 76047464 UOJLIGPSERSHBM-GFCCVEGCSA-N 330.392 1.765 0 40 EDAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408609318 QZBMABZCRPWEET-VIFPVBQESA-N 334.825 1.542 0 40 EDAB CCC[C@H](C)NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408544542 HNDCNTGKDOTKRX-NSHDSACASA-N 342.417 1.486 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)N1CCC2(CC1)CC2(F)F 650600176 UWSRFKFUPVQXDW-UHFFFAOYSA-N 334.322 1.930 0 40 EDAB O=C(c1cc2n(n1)CCCC2)N1CC[C@](CO)(c2ccccc2)C1 516848568 BUUGQSYAZUIKIN-IBGZPJMESA-N 325.412 1.996 0 40 EDAB COc1cc(NC2=CC(=O)NC2)ccc1N1CCCCS1(=O)=O 524734047 QUVLVZPVXAAKIQ-UHFFFAOYSA-N 337.401 1.051 0 40 EDAB CC(C)C1(C(=O)NC[C@@H]2CN(C(=O)C3(CN(C)C)CC3)C[C@H]2C)CC1 1053284184 SAKIQPGUNIJDJV-HZPDHXFCSA-N 349.519 1.975 0 40 EDAB COCC(=O)N1CC[C@@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 72352518 FFFXBFWUIPKCBC-LLVKDONJSA-N 347.440 1.960 0 40 EDAB COc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1 72227668 ZRDYTUZRYKIIDL-IAGOWNOFSA-N 326.352 1.882 0 40 EDAB Cc1cc(C)c(NC(=O)C(=O)NCCCc2nc(C)no2)c(C)c1 77837545 MFXXKOSLMQKKPF-UHFFFAOYSA-N 330.388 1.991 0 40 EDAB CC(C)CCNc1ccc(S(=O)(=O)NCCO)cc1C(=O)O 217591659 WAQIYQNJIXNNAM-UHFFFAOYSA-N 330.406 1.113 0 40 EDAB O=C(CN1CC(=O)NC1=O)NCC1(c2cccc(F)c2)CCCCC1 78927300 ZQICJANCPLGRCY-UHFFFAOYSA-N 347.390 1.696 0 40 EDAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(F)c(OC)c1 190560694 MAYDHMLDSDMGCY-UHFFFAOYSA-N 327.381 1.779 0 40 EDAB C[C@@H](C(=O)Nc1nccs1)N1C[C@H](c2ccccc2)[C@@H](C(N)=O)C1 570805074 FIKVNISVJRWTIV-YUTCNCBUSA-N 344.440 1.671 0 40 EDAB Cc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN3CCCCC3)c2=O)cc1 222659232 AQUDVWKKQCRHJX-UHFFFAOYSA-N 343.383 1.518 0 40 EDAB COc1ccc([C@H](NC(=O)c2cc(OC)n(C)n2)C(=O)O)c(OC)c1 572901506 NBGYHDOQSVNEMC-AWEZNQCLSA-N 349.343 1.002 0 40 EDAB CCCCn1ncc(C(=O)N2CCN(c3ncc[nH]3)CC2)c1CC 573622756 CUHXCRGLMCIAOW-UHFFFAOYSA-N 330.436 1.931 0 40 EDAB CN(C)S(=O)(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 225755241 GRUKVJWJBUVICD-UHFFFAOYSA-N 327.425 1.459 0 40 EDAB C[C@H](Sc1nnnn1Cc1ccccc1)c1nnnn1C1CC1 191747323 NWOOLFLJRYFDFN-JTQLQIEISA-N 328.405 1.896 0 40 EDAB O=C(NCC1CC1)[C@H]1COC2(CCN(Cc3cccnc3)CC2)C1 96224881 DAYTVMOHUMQPIA-QGZVFWFLSA-N 329.444 1.979 0 40 EDAB CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)Cc1ccoc1 97097041 XEKYUYHPJPRPHP-CQSZACIVSA-N 334.397 1.975 0 40 EDAB O[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1nnc(C2CC2)n1C1CC1 583278552 FXTJSRSPIQLRLL-OWCLPIDISA-N 332.448 1.852 0 40 EDAB CO[C@@H]1COC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)C1 96158791 AHUMSKSDZMFUMW-AWEZNQCLSA-N 325.430 1.954 0 40 EDAB Cn1cccc1C(=O)N1CC[C@@]2(C[C@@H](Nc3cccnc3)CO2)C1 96219001 LCAFNLGTEDNFGP-CRAIPNDOSA-N 326.400 1.906 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 236719348 MEBRLOZRBCSSAI-ZOBUZTSGSA-N 325.497 1.708 0 40 EDAB O=C([C@@H]1COC[C@H]2CN(Cc3ccncc3)C[C@@H]12)N1CCCCO1 96038638 YGDBDBAUFDAUJF-BRWVUGGUSA-N 331.416 1.330 0 40 EDAB O=C(c1cscn1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96108999 JFNJJXJDJJDYAT-DYVFJYSZSA-N 345.424 1.844 0 40 EDAB O=C(c1cccs1)N1C[C@@H]2OCCN(Cc3ccncc3)[C@@H]2C1 96246513 IRVHCUNEGCCMBX-CABCVRRESA-N 329.425 1.869 0 40 EDAB C[C@H]1c2ncc(CNC(=O)C3CC3)n2CCN1Cc1ccncc1 96201309 BGTLUFYHDGSOCE-ZDUSSCGKSA-N 325.416 1.881 0 40 EDAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1cccnc1 95473431 QYVNUTSWZBRTGQ-OAHLLOKOSA-N 338.367 1.778 0 40 EDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)c4c(C)noc4C)C[C@H]3O2)n1 96220449 FUMXMOGHEBXBFX-RWMBFGLXSA-N 332.360 1.455 0 40 EDAB C[C@]1(CNC(=O)[C@@H]2CC(C(=O)O)=NN2c2ccccc2)CCOC1 585134440 TUELLSHMDRXAKG-WMLDXEAASA-N 331.372 1.249 0 40 EDAB CCO[C@]1(CS(=O)(=O)N[C@@H](C)Cc2c(C)noc2C)CCOC1 585115902 ZBPNBVWHABFDAT-XHDPSFHLSA-N 346.449 1.337 0 40 EDAB Cc1c(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)CN(C)C)cnn1C 585115033 JRUFHOLOVBKUKE-GXTWGEPZSA-N 328.482 1.469 0 40 EDAB COc1cc(N2CC3(C[C@H](Oc4cccnc4)CCO3)C2)ncn1 247921417 XQYFSPUACNAPJM-CYBMUJFWSA-N 328.372 1.697 0 40 EDAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCCN(C(=O)CN)C2)n1 257245141 IOFNAICUYDQDTO-LBPRGKRZSA-N 346.460 1.958 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(c2nc(C)cc(C)n2)CC1 257307196 SXPGTJPNJRVRTO-UHFFFAOYSA-N 340.431 1.904 0 40 EDAB Cc1ncccc1C(=O)N(C)C[C@]1(O)CCCN(c2cnccn2)C1 257222823 DUUVTECUXWYHMP-GOSISDBHSA-N 341.415 1.284 0 40 EDAB Cc1nc2sccc2c(=O)n1CCNC(=O)/C=C\c1cccnc1 253472031 IIMVCDADEWMION-PLNGDYQASA-N 340.408 1.991 0 40 EDAB CN(C(=O)c1cccn1C)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257330630 XPEWTHVEBRNEDY-DJIMGWMZSA-N 329.400 1.853 0 40 EDAB O[C@]1(CNCc2ccc(OCCF)cc2)CCN(c2ncccn2)C1 257220393 DKQJCMIASHBQCL-SFHVURJKSA-N 346.406 1.556 0 40 EDAB CO[C@@H]1CCCC[C@@H](NC(=O)c2cc3ccccc3nc2O)[C@H]1O 257208094 BKSHKVOQXPUEED-BZUAXINKSA-N 330.384 1.989 0 40 EDAB Cn1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](Oc4cccnc4)[C@H]3C2)cn1 257281795 ORATXOMDPAQBED-UHOFOFEASA-N 348.428 1.293 0 40 EDAB Cc1cnc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)c4cnco4)C[C@@H]32)cn1 257263889 LRWVGXOUSKCRBB-HZSPNIEDSA-N 327.388 1.760 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)c3ccc4c(c3)OCCO4)cnc21 278248858 MAXANPIBDYQODA-UHFFFAOYSA-N 340.339 1.174 0 40 EDAB COc1ccc(-c2noc(=O)n2CCCN)cc1Br 1615055373 LVCRKBWNTRVSBZ-UHFFFAOYSA-N 328.166 1.623 0 40 EDAB O=C1COC(c2ccc(NC(=O)NC[C@H]3CC=CCC3)cc2)=NN1 1615059313 ZYQJMZWYZFUXPN-LBPRGKRZSA-N 328.372 1.972 0 40 EDAB CN1CCCN(C(=O)[C@@H]2CN3CC4CC3(CO2)C4)c2ccc(F)cc21 1616040546 NAZMJOUHHLTFGC-KZGIRGLMSA-N 345.418 1.862 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@@](O)(c1ccoc1)c1ccco1 390826223 FSZNUZAOTJULTQ-MRXNPFEDSA-N 331.328 1.281 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575406119 WCGNDURRWCIFDE-GJZGRUSLSA-N 334.441 1.721 0 40 EDAB Cc1cncc(C(=O)N2CC3(CC[C@@H](CN4CCCC4=O)CO3)C2)c1 575406144 WSDQUDWGFFKGGS-HNNXBMFYSA-N 343.427 1.634 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)C3CC(F)(F)C3)[C@H]2C1 575405442 SLVHLEKZEGNLLC-DDNRWTCHSA-N 342.386 1.277 0 40 EDAB Cc1ccc(CNC[C@@H]2COC[C@@H](O)[C@H]2O)c(Br)c1 585285959 GLQQFEAOSDZBGE-BNOWGMLFSA-N 330.222 1.215 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(C(=O)C3CC(F)C3)C[C@@H]2O1 585108464 MTYDVYBROWFGAG-PDSDXNCFSA-N 349.406 1.119 0 40 EDAB COC(=O)c1cc(=O)n(CC(=O)N2CCC[C@H]3CCCC[C@H]32)cn1 585140778 KVFRGNFRRJEFJO-TZMCWYRMSA-N 333.388 1.211 0 40 EDAB O=C(c1cc[nH]c1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 585108775 BXEYAHNWQSSVRO-ULQDDVLXSA-N 327.384 1.999 0 40 EDAB Cn1c(CNC(=O)CSCc2nc3ccccc3[nH]2)n[nH]c1=S 67050247 RAWKJAHNFPUKQZ-UHFFFAOYSA-N 348.457 1.904 0 40 EDAB Cc1nnsc1C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 44454624 ZFDBKOXKTYNQFT-UHFFFAOYSA-N 336.339 1.377 0 40 EDAB COc1cc(CCC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc(OC)c1 44721010 LWNXMKKSWWLALG-ZDUSSCGKSA-N 341.429 1.187 0 40 EDAB C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(=O)[nH]n1 55634497 BEKUZBHRZAZKSZ-VIFPVBQESA-N 341.289 1.986 0 40 EDAB Cc1nn(C)c2sc(C(=O)NCCN3C[C@H](C)O[C@@H](C)C3)cc12 41945146 AGCROOIAPOWQHH-QWRGUYRKSA-N 336.461 1.782 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1CNC[C@H]1CN(C)CCO1 69347395 HWPNVMVXPWAQRJ-SFHVURJKSA-N 328.460 1.968 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)[C@H]3COc4ccccc4O3)ccc21 13365302 PNSONHPWVOIXJK-OAHLLOKOSA-N 326.308 1.910 0 40 EDAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1OC 17072530 PSAOHKALWYJJHB-XRGAULLZSA-N 349.383 1.241 0 40 EDAB Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1cccc(O)n1 540794362 MKAPJUSNQVTHCK-OAHLLOKOSA-N 338.371 1.182 0 40 EDAB CN(C)c1nc(CNC(=O)c2ccco2)nc(N2CCCCC2)n1 575608661 ZIGQIVZVRIBSRI-UHFFFAOYSA-N 330.392 1.451 0 40 EDAB Cc1ccc(C[C@H]2CCCN(C(=O)CCN3CCOCC3)C2)cn1 1848355429 KDUWHFLLAIJIEN-GOSISDBHSA-N 331.460 1.893 0 40 EDAB CC(C)OC(=O)C[C@H](NC(=O)c1ccc(O)nn1)c1ccccc1 24496298 JTXHJBQTNMHCMW-AWEZNQCLSA-N 329.356 1.995 0 40 EDAB COc1cc(CN2CCNC(=O)C2)c(OC)cc1Br 12567145 VGYHSQSWVFIFGG-UHFFFAOYSA-N 329.194 1.398 0 40 EDAB CC(=O)N1CCCCCc2cc(F)ccc2OC[C@@H](O)[C@@H](O)CC1 2037972674 YDGKOGVKMLYOJR-DLBZAZTESA-N 339.407 1.891 0 40 EDAB COc1cc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3C2)on1 1565556642 OUJMUPJJAMYMPS-UHFFFAOYSA-N 340.343 1.072 0 40 EDAB COc1ccc(NC(=O)N2CC(OC[C@@H]3CCOC3)C2)c(OC)c1 1565522800 QXTKVGKTATUXJL-GFCCVEGCSA-N 336.388 1.973 0 40 EDAB CC(C)CN1C(=O)N[C@](NC(=O)c2cccnc2)(C(F)(F)F)C1=O 2263730 FPBUFJDTLOMGGN-ZDUSSCGKSA-N 344.293 1.278 0 40 EDAB CN1C(=O)N[C@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C1=O 2492041 UXGBMDJGSNIYOF-ZDUSSCGKSA-N 335.326 1.903 0 40 EDAB O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2cccs2)CC1 206984122 PKCYABSPEWVODB-UHFFFAOYSA-N 346.455 1.597 0 40 EDAB CC(C)c1ccc(OCCOC[C@H](O)CN2CCN(C)CC2)cc1 35590850 CPUQHMLNANYBJR-GOSISDBHSA-N 336.476 1.814 0 40 EDAB O=S(=O)(NCCn1ccnc1-c1cnccn1)c1ccccc1F 575610189 UJILNBZBPNPVSQ-UHFFFAOYSA-N 347.375 1.458 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](O)Cc1ccccc1 70959068 MYYJTVNGAPEARY-INIZCTEOSA-N 342.395 1.031 0 40 EDAB COC(=O)c1cccc(NC(C)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 17207173 ZLXNKISUYJOUPF-UHFFFAOYSA-N 331.328 1.210 0 40 EDAB Cc1ccc(NC(=O)c2cnc3onc(C)c3c2)cc1S(N)(=O)=O 30929955 UDSARKLJCUBAMD-UHFFFAOYSA-N 346.368 1.739 0 40 EDAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N1CCO[C@H]2CCCC[C@@H]21 50599914 GWRIZLGMALAHPZ-KBPBESRZSA-N 349.383 1.583 0 40 EDAB Cc1cc(=O)n2nc(N3CCN(C(=O)c4ccco4)CC3)sc2n1 40489701 OOUJYDVWMCRHQG-UHFFFAOYSA-N 345.384 1.015 0 40 EDAB CN(C)c1cc(CNC(=O)NC[C@H]2COc3ccccc3O2)ccn1 40512807 RTWPHZBNFXFYRE-AWEZNQCLSA-N 342.399 1.787 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)CN2CCc3sccc3C2)C1 51530842 TVLXSDMXIUDIOS-AWEZNQCLSA-N 345.472 1.641 0 40 EDAB O=C1O[C@@H](C(=O)Nc2ccc3c(c2)C(=O)NC3=O)Cc2ccccc21 32850734 YQQJFULMZXEXSB-CQSZACIVSA-N 336.303 1.290 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)C(C)(C)C)c1ccccc1F 32842322 NJNIDDFPYZODHP-HNNXBMFYSA-N 346.406 1.927 0 40 EDAB Cc1ccc(CN2CCCN(C(=O)Cn3cccnc3=O)CC2)cc1 32964513 XSWQJNUAOCITHI-UHFFFAOYSA-N 340.427 1.286 0 40 EDAB CC(C)c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 22259185 JMJDRCWSTLHMIP-UHFFFAOYSA-N 326.462 1.811 0 40 EDAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)C[C@@H](C)O1 22304072 HNCGDWIHIYWFCJ-PHIMTYICSA-N 348.428 1.693 0 40 EDAB O=C(CCN1CCO[C@H](CNc2cccnn2)C1)NC1CCCCC1 78893516 ZLMMIKQLULUOIV-MRXNPFEDSA-N 347.463 1.428 0 40 EDAB Cc1ccc(C(=O)N(C)CCNS(C)(=O)=O)cc1Br 78974379 UPNWBLRPYOAFLF-UHFFFAOYSA-N 349.250 1.379 0 40 EDAB Cn1ccnc1CN1CCC(C(=O)N=c2[nH]c3ccccc3[nH]2)CC1 43268158 KNKRSHWQEJXHIM-UHFFFAOYSA-N 338.415 1.569 0 40 EDAB CN(CC1CC1)S(=O)(=O)c1cc(C(=O)O)oc1Br 55329634 UPOALBJFFASQNI-UHFFFAOYSA-N 338.179 1.771 0 40 EDAB CN(CC(=O)N1CCC[C@H](C(N)=O)C1)Cc1ccc(F)cc1F 25051293 OFKARCOWOXOHSL-LBPRGKRZSA-N 325.359 1.121 0 40 EDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccn(CC(=O)N2CCOCC2)n1 106912998 CZGBHOIAFOOMQR-SOUVJXGZSA-N 346.431 1.507 0 40 EDAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)O)C1=O 12504831 BYTZCSNTXNMWAX-LBPRGKRZSA-N 327.134 1.301 0 40 EDAB C[C@H]1CN(CCCNC(=O)CN2CCc3ccccc3C2)C[C@@H](C)O1 25409567 MQFCUOQOVNYIGJ-CALCHBBNSA-N 345.487 1.660 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 56073208 LPYHCPADQANWHA-HZSPNIEDSA-N 347.481 1.420 0 40 EDAB Cn1cncc1CN1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108535227 HUMYKBXEIDUJKM-ROUUACIJSA-N 327.432 1.290 0 40 EDAB O=S(=O)(O)C(Br)(Br)Br 104041070 DNUYPCSVTPIXRE-UHFFFAOYSA-N 332.795 1.670 0 40 EDAB O=C1CN(c2ccc(NC(=O)c3cc(F)ccc3F)cn2)CCN1 27261655 ZSLPKQQYOOVECU-UHFFFAOYSA-N 332.310 1.548 0 40 EDAB Cc1cccc(CN2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)c1 27358599 VDUAINYNMMAOAN-UHFFFAOYSA-N 341.463 1.146 0 40 EDAB Cc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc3c(c1)OCCO3)CC2 171331048 BGFUZMGIFGPIBO-ZDUSSCGKSA-N 328.372 1.031 0 40 EDAB CN(C(=O)c1cc(C2CC2)nn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 44952355 PZHKRFVNNYVSHY-LBPRGKRZSA-N 339.461 1.775 0 40 EDAB COC(=O)c1ccccc1NC(=O)N1CCC[C@@H](CNC(N)=O)C1 44972301 LYUBQXISRVFHOO-NSHDSACASA-N 334.376 1.385 0 40 EDAB O=C(NCCCOC[C@H]1CCCO1)c1cnc2sccn2c1=O 48251390 ZRZWJPGKIRRDMM-LLVKDONJSA-N 337.401 1.072 0 40 EDAB CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ncc(C)s1 24364102 ZQQDLUHRVLRFMI-VIFPVBQESA-N 337.492 1.451 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)nc2n1 48271111 LDWKYHBSYWNPQG-CHWSQXEVSA-N 344.463 1.839 0 40 EDAB Cc1nc(S(=O)(=O)Nc2cc(C(N)=O)ccc2Cl)cn1C 58342457 NVDGOKCKQQZSJV-UHFFFAOYSA-N 328.781 1.282 0 40 EDAB CN(CC(=O)NCCN1CCc2ccccc21)C(=O)c1cccs1 58441163 NMQRDNPWLXOYTF-UHFFFAOYSA-N 343.452 1.999 0 40 EDAB O=C(NCCNc1ncccn1)NC[C@H]1COc2ccccc2C1 45128765 MHAGDDLAYOBZBR-ZDUSSCGKSA-N 327.388 1.439 0 40 EDAB Cc1ccccc1OCCOC(=O)c1sccc1S(N)(=O)=O 10932805 ASHNYAKEHPWTQP-UHFFFAOYSA-N 341.410 1.940 0 40 EDAB CN(C)S(=O)(=O)N1CCN(CCOc2cccc(Cl)c2)CC1 28974302 BLXATSUEDQYKON-UHFFFAOYSA-N 347.868 1.143 0 40 EDAB CCc1nnsc1C(=O)NC[C@H](c1ccccc1)N1CCOCC1 29092532 KUSWZXAYGBOICX-OAHLLOKOSA-N 346.456 1.904 0 40 EDAB CCOc1ccccc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 29196652 XOPQRQNJCVZDEU-GFCCVEGCSA-N 326.418 1.239 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCCCCC3)nc2)C1 45875120 FTJXNTKXLYDGDT-HNNXBMFYSA-N 345.447 1.479 0 40 EDAB COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1Cl 46186515 JRBTWPPBJWSIAM-ZWNOBZJWSA-N 338.791 1.539 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)Nc3ccn(C)n3)CC2=O)c(OC)c1 48333596 JZQXZIAISHTTOB-NSHDSACASA-N 344.371 1.429 0 40 EDAB C[C@@H]1CN(C(C)(C)CNC(=O)c2cccc(C(N)=O)c2)C[C@@H](C)O1 48332666 BGQKRUOGNBFLMB-CHWSQXEVSA-N 333.432 1.403 0 40 EDAB O=C([C@@H]1CCCOC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 119373587 FTGUUXPDYRRBLJ-UKRRQHHQSA-N 329.462 1.761 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)c1ccc(C(=O)N2CCCC2)cn1 95953959 KLLOLYIBWIJXFX-UHFFFAOYSA-N 349.412 1.896 0 40 EDAB COc1ccc(NC(=O)c2cccc(-n3cnnc3)n2)c(OC)c1 21721151 CMQTUVKOHHQGQB-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB Cn1cccc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 3407628 NUMGBVYKGXCMRP-UHFFFAOYSA-N 327.384 1.531 0 40 EDAB O=C(COC(=O)c1ccc2ccccc2c1O)NC[C@@H]1CCCO1 3439152 TUIXHPNVJLVRQF-ZDUSSCGKSA-N 329.352 1.997 0 40 EDAB CC(C)N(CC(N)=O)CC(=O)N(C)Cc1ccc(Br)o1 48559048 SMIMCZVRTRUDNC-UHFFFAOYSA-N 346.225 1.196 0 40 EDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@H]1CCc2ccccc21 12905675 HFYYGXMACPATDX-KRWDZBQOSA-N 349.390 1.884 0 40 EDAB Cc1csc(CNC(=O)c2cc(S(N)(=O)=O)c(C)cc2C)n1 63241600 VMKCASKBSIDLQF-UHFFFAOYSA-N 339.442 1.646 0 40 EDAB CC(C)NC(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 6150314 HXFXMTGBFWNASG-HNNXBMFYSA-N 332.400 1.145 0 40 EDAB CCc1ccc(N2CCn3c2nc2c3c(=O)n(CC)c(=O)n2C)cc1 4386356 NSIUHQIDWXDXQI-UHFFFAOYSA-N 339.399 1.631 0 40 EDAB CCn1cc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c2ccccc21 65443888 QLXCINJWCSHPCF-CYBMUJFWSA-N 349.456 1.815 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)Nc3nnn[nH]3)c(Cl)cc12 9305178 DHQYFKOJLFAFGD-UHFFFAOYSA-N 335.707 1.285 0 40 EDAB O=C(Nc1nc(-c2ccccc2)ns1)N[C@@H]1CCS(=O)(=O)C1 65752171 BBDMRAJFTPZYSR-SNVBAGLBSA-N 338.414 1.514 0 40 EDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCc2sccc2C1 14241066 LSSRCEOZKFVOGX-UHFFFAOYSA-N 347.440 1.888 0 40 EDAB CCCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 5472344 OCMWBZGOIQXZNC-INIZCTEOSA-N 328.376 1.440 0 40 EDAB O=C(NCC(F)(F)F)c1ccccc1S(=O)(=O)N1CCCC1 66285405 RZTKRIPGKTUCHN-UHFFFAOYSA-N 336.335 1.763 0 40 EDAB COCCOc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 66432318 UCQUAIMCUVDBBE-LLVKDONJSA-N 336.363 1.800 0 40 EDAB Cc1noc(C)c1CCC(=O)NCc1ccc(N2CCOCC2)nc1 14801241 RGNBSDGYVVKTRG-UHFFFAOYSA-N 344.415 1.772 0 40 EDAB O=C(Cn1cnnn1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 66687467 PJNLDXLESKWUAE-LBPRGKRZSA-N 325.731 1.066 0 40 EDAB C[C@@H](CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)[S@](C)=O 95439853 LCZJWBLDWJYUSU-DCXZOGHSSA-N 327.830 1.666 0 40 EDAB CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 14915226 PDMADAAAOSKZSL-CYBMUJFWSA-N 336.411 1.570 0 40 EDAB Cc1cc(NC(=O)Cc2c(C(=O)O)nnn2-c2ccc(F)cc2)no1 6880731 OYMIZIQKUMHJSU-UHFFFAOYSA-N 345.290 1.582 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H](C)c1ccc(F)c(F)c1 95436963 CBRQJHRCNSITCT-QMTHXVAHSA-N 325.359 1.988 0 40 EDAB Cc1c(/C(O)=N/S(C)(=O)=O)nnn1-c1cccc2ncccc12 67001060 ULADJIGTQQMPBI-UHFFFAOYSA-N 331.357 1.388 0 40 EDAB CC1(C)NC(=O)N(CCC(=O)OCc2nnc(-c3ccco3)o2)C1=O 7558407 FGIIYIMTWQTGLS-UHFFFAOYSA-N 348.315 1.093 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)COC(=O)c2cc(Cl)ccc2F)C1 7526695 TXVNPFJQVGPUII-VIFPVBQESA-N 342.754 1.360 0 40 EDAB C[C@@H]1C[C@@H](N2CCN(C(=O)Cc3ccccc3Cl)CC2)C(=O)O1 71830905 KMBNWUZTYHPUKB-IUODEOHRSA-N 336.819 1.731 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 71881827 BNBAAHXBECJUFQ-SFHVURJKSA-N 342.443 1.460 0 40 EDAB Cc1ccc2[nH]cc(CCC(=O)N3CCN(CC(N)=O)CC3)c2c1 81297435 HQNAXSZELFDQPA-UHFFFAOYSA-N 328.416 1.038 0 40 EDAB Cc1csc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)n1 71841358 ARZGEAVOXRDYHL-UONOGXRCSA-N 331.445 1.637 0 40 EDAB C[C@H](C(=O)NC1CCCC1)N(C)Cc1nc2ccccc2c(=O)[nH]1 16555384 GXVKJMOBASTRSW-GFCCVEGCSA-N 328.416 1.802 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 71841129 ZMOZCNLDPAGQCI-GFCCVEGCSA-N 333.417 1.788 0 40 EDAB COc1ccc(CN(C(=O)CN2C(=O)CN(C)C2=O)C2CC2)cc1 8164692 XAEGDVVKZJUVDH-UHFFFAOYSA-N 331.372 1.080 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C2OCCO2)C1 69230274 KAWCHHOTSKJTAH-GFCCVEGCSA-N 329.393 1.908 0 40 EDAB CN(CC(=O)Nc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1 69395345 IYJSCTLKXUVRLV-CQSZACIVSA-N 333.413 1.292 0 40 EDAB CC(C)[C@H](C(=O)NCc1cccc(CN2CCN(C)CC2)c1)N(C)C 71883695 IXWUMFQDXHYPJY-LJQANCHMSA-N 346.519 1.636 0 40 EDAB CN(C)C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2)CCO1 69665659 PVECWEFCMHVAID-GOEBONIOSA-N 328.840 1.342 0 40 EDAB CCc1ccccc1NC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 69631522 NRRWLEUBENXVFN-UHFFFAOYSA-N 343.427 1.801 0 40 EDAB CCO[C@H](C)c1noc(CN2CCO[C@@H](c3nc(CC)n[nH]3)C2)n1 83830186 NXKMWRUTCZBEMX-GHMZBOCLSA-N 336.396 1.421 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1cccnc1)c1c(F)cccc1F 71909119 COWXSKKCMOGPGV-CQSZACIVSA-N 341.383 1.941 0 40 EDAB Cc1nc2n(n1)C[C@H](NCCOc1ccc3c(c1)CCC(=O)N3)CC2 69702827 UZYAQKXFZGTQRC-CQSZACIVSA-N 341.415 1.455 0 40 EDAB O=C(c1cc(=O)[nH]c2cc(F)ccc12)N1CCN(CC2CC2)CC1 71916120 PLGVQHNXOGXBJE-UHFFFAOYSA-N 329.375 1.835 0 40 EDAB CN(C(=O)CSCC(=O)N1CCOCC1)c1ccccc1F 69846975 RHXFTQIZKAZTST-UHFFFAOYSA-N 326.393 1.381 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[S@](=O)c1ccccc1 69892944 REIKANANFONLRN-SFDCACGMSA-N 340.445 1.824 0 40 EDAB C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@H](Cn2cncn2)C1 69843206 KZLPXCNXOBNVSS-ZBFHGGJFSA-N 345.422 1.834 0 40 EDAB CCN1CCN(C[C@H](C)CNC(=O)COc2cccc(C)c2)CC1 69900598 NIHXWFZTRJFMLB-QGZVFWFLSA-N 333.476 1.764 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 69981014 OAGUSSDWAYCODE-AEFFLSMTSA-N 332.444 1.258 0 40 EDAB CC(C)OC(=O)COC(=O)[C@H](O)c1ccc(Br)cc1 69951797 CKMRHAKKQSIIKA-GFCCVEGCSA-N 331.162 1.977 0 40 EDAB Cc1cc([C@H]2CCCN(CCn3nc4ccccn4c3=O)C2)n[nH]1 84111246 ICUADFQBNNEYQV-AWEZNQCLSA-N 326.404 1.407 0 40 EDAB C[C@H](CO)N(C)S(=O)(=O)c1ccc(Br)cc1F 97096051 LZPDKCLWJXCPQA-SSDOTTSWSA-N 326.187 1.590 0 40 EDAB O=C(NCc1nc(-c2ccco2)n[nH]1)C(=O)Nc1ccc(F)cc1 72291122 KZWIWCXKPCOTIH-UHFFFAOYSA-N 329.291 1.459 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2CCN2C(=O)NC(C)(C)C2=O)n1 72253286 FAYOZTXHOFXTSE-HNNXBMFYSA-N 347.463 1.685 0 40 EDAB CCOc1ccc2cc(C(=O)N[C@H](CC(=O)OC)C(=O)OC)[nH]c2c1 72272748 JBGXVXADIINQCU-CQSZACIVSA-N 348.355 1.401 0 40 EDAB COc1cccc(CNC(=O)[C@@H](C)NCc2nnc3n2CCCC3)c1 72299696 GSYGZECZSVVEMX-CYBMUJFWSA-N 343.431 1.418 0 40 EDAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCn2ccnc2C1 97201675 YNBNFJFDESDFEC-GFCCVEGCSA-N 328.372 1.132 0 40 EDAB COc1ccc([C@@H](NC(=O)[C@H]2CNC(=O)N2)c2ccc(F)cc2)cc1 89438900 VJNROZWYUKVPSW-CVEARBPZSA-N 343.358 1.721 0 40 EDAB Cc1c(C(=O)NOCC(N)=O)oc2ccc(Br)cc12 89462293 RKGKOHPIOIZINI-UHFFFAOYSA-N 327.134 1.650 0 40 EDAB NS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 89768385 FGISDXPXHLAVKN-NXEZZACHSA-N 337.228 1.502 0 40 EDAB CCOC(=O)[C@@H](OC(=O)[C@H]1CCCN(C(=O)CC)C1)c1cccnc1 89941660 GJPPYMAKXORGEZ-HOCLYGCPSA-N 348.399 1.878 0 40 EDAB COC(=O)[C@@H]1CCC[C@H](C(=O)NCCCCN2CCOCC2)C1 76060878 VRCUIHGEFQBDQE-LSDHHAIUSA-N 326.437 1.194 0 40 EDAB CCOc1cc(N2CC[C@@](NC(C)=O)(c3nc(C)cs3)C2)ncn1 547680774 BCGZCRUBHSPVAW-INIZCTEOSA-N 347.444 1.882 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1C 22247145 YYMXTYNQXKZGAQ-OAHLLOKOSA-N 349.408 1.978 0 40 EDAB COc1cc(-c2n[nH]c(SCC(=O)O)n2)cc(OC)c1OC 20159433 IJKVCIZBPFDIKY-UHFFFAOYSA-N 325.346 1.674 0 40 EDAB COCCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 408612094 YHWFCQUADNALRJ-UHFFFAOYSA-N 340.445 1.546 0 40 EDAB C[C@H]1Cc2c(NC(=O)Cn3cnc4ccccc43)nn(C)c2NC1=O 35597756 ICRVZKWGYPMWFB-JTQLQIEISA-N 338.371 1.539 0 40 EDAB CCc1ccccc1S(=O)(=O)N1CCOC[C@H]1c1nnc(C)o1 517491545 ZUBHWNLWMAJZQM-ZDUSSCGKSA-N 337.401 1.703 0 40 EDAB O=C(c1cnc(NS(=O)(=O)c2ccccc2)nc1)N1CCCCC1 408527640 CDCYYZMTLUDIFE-UHFFFAOYSA-N 346.412 1.904 0 40 EDAB COCCN(Cc1cc2cc3c(cc2n2nnnc12)OCO3)C(C)=O 35315325 DPGZLTAIPRHPLO-UHFFFAOYSA-N 343.343 1.001 0 40 EDAB CN(Cc1noc(CCC(=O)O)n1)S(=O)(=O)c1ccc(F)cc1 78400977 DXTLHWPASFLTSZ-UHFFFAOYSA-N 343.336 1.047 0 40 EDAB COCCNc1ccc(C[C@@H]2CCCN(Cc3cncn3C)C2)nn1 72387336 HVYLTANPFHSGDL-HNNXBMFYSA-N 344.463 1.723 0 40 EDAB O=C(N1CC[C@]2(O)CCCC[C@@H]2C1)C1(n2cnnn2)CCCCC1 75906152 XBRZLQOYYJKSSR-RHSMWYFYSA-N 333.436 1.486 0 40 EDAB Cc1cc(C)n(Cc2cccc(C(=O)NCCNC(=O)C3CC3)c2)n1 79330878 PVKPAYRYEDOUFL-UHFFFAOYSA-N 340.427 1.804 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2c(Cl)cccc2C(=O)O)C1 575810696 UBUPFWIGLXNFSZ-SNVBAGLBSA-N 346.836 1.552 0 40 EDAB CCN1CCN(C(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)CC1 225757518 ZNMOFPCYZQHOHW-UHFFFAOYSA-N 327.428 1.782 0 40 EDAB C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)[C@H]1c1ccccc1 572167614 LQELDYZAKJLBJS-MYPMTAMASA-N 325.416 1.941 0 40 EDAB O=C(O)c1coc(CN2CCn3c(nnc3-c3ccccc3)C2)n1 572127282 CDXCXXSYVXKNQB-UHFFFAOYSA-N 325.328 1.647 0 40 EDAB CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 85928870 CWIYXQGIFONLJE-GJZGRUSLSA-N 334.347 1.485 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(CNC(=O)[C@@H](C)C(=O)O)cc2)C[C@@H](C)O1 572523129 VUNVSIHYGLSTNU-JHJVBQTASA-N 348.399 1.273 0 40 EDAB Cc1noc(C)c1CN1C[C@@H]2Oc3ncccc3C(=O)N(C)[C@@H]2C1 514290194 VAYVACLGMBFIFD-CABCVRRESA-N 328.372 1.404 0 40 EDAB biogenic,in-vitro Cc1nccc(NC(=O)Cn2ncc(N3CCCCC3)cc2=O)c1C 20917180 BJUNHBVOQHHJLV-UHFFFAOYSA-N 341.415 1.884 0 40 EDAB O=C1c2cnc(N3CCOCC3)nc2CN1Cc1ccc(F)cc1 41122951 MXYJTFFBZINJHM-UHFFFAOYSA-N 328.347 1.608 0 40 EDAB COC(=O)C[C@@H](c1ccc(C)o1)c1c(O)nc2ccccn2c1=O 96220838 UFVMPEPIAUTJAF-NSHDSACASA-N 328.324 1.997 0 40 EDAB biogenic Cc1ccc(CC(=O)N2CC[C@@H](N3CCOCC3)C[C@H]2C(=O)O)cc1 96069090 KRZHWQSCVFYENW-SJORKVTESA-N 346.427 1.314 0 40 EDAB O=C(NC1(c2cccc(Br)c2)CC1)[C@@H]1COCCO1 96418889 ZTLXMKXWPYGMRX-LBPRGKRZSA-N 326.190 1.970 0 40 EDAB CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1 96036802 DABXHERYTYJECQ-MRXNPFEDSA-N 346.475 1.755 0 40 EDAB O=C(N[C@@H]1CCC12CCN(CC1CCOCC1)CC2)c1cnccn1 96051532 KNVOOEXOFSDKMJ-QGZVFWFLSA-N 344.459 1.878 0 40 EDAB Cn1nc(C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)ccc1=O 96460240 GUWTXENQUYEJQI-OAHLLOKOSA-N 327.384 1.254 0 40 EDAB c1ccc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)nc1 96049147 VBLRBNMGPBJQHF-GOSISDBHSA-N 325.416 1.743 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)c2cnn(C)c2n1 583620090 XDFVCXHDCRCYBX-KBPBESRZSA-N 340.387 1.270 0 40 EDAB Cc1ccc(C(=O)N2CCc3ncc(Cn4cccn4)n3CC2)o1 96196960 PMTXTRJVKLBMJK-UHFFFAOYSA-N 325.372 1.728 0 40 EDAB O=C(c1c[nH]cn1)N1CCC[C@]2(C[C@H](Nc3ncccc3F)CO2)C1 96073761 BXFSVVTWOTYBNZ-SJCJKPOMSA-N 345.378 1.820 0 40 EDAB O=C(Cc1ccco1)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 96109090 VHSKSLNCBAMKGU-ACJLOTCBSA-N 346.358 1.910 0 40 EDAB Cn1cc(CN2CCC[C@]3(COCCN(c4cnccn4)C3)C2)cn1 96049630 WWNBEIUSOANPSK-SFHVURJKSA-N 342.447 1.329 0 40 EDAB COCCCNC(=O)Cn1oc2cc(Br)ccc2c1=O 585118153 DQPQUTHGHNDUGD-UHFFFAOYSA-N 343.177 1.510 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]3CCCN32)C1 585122076 MIODZXHAJMHIIG-IXDOHACOSA-N 333.476 1.768 0 40 EDAB COCC(=O)N1CC[C@@H]2O[C@H](COCc3csc(C)n3)CC[C@@H]21 96186146 RVCDLAODBINJCA-KKUMJFAQSA-N 340.445 1.763 0 40 EDAB CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1 96036801 DABXHERYTYJECQ-INIZCTEOSA-N 346.475 1.755 0 40 EDAB CO[C@H]1CCN(S(=O)(=O)N(C)C)C[C@@H]1Cc1cccc(C)c1 96208910 SBWDRRSHFPKTOD-HOTGVXAUSA-N 326.462 1.681 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 96064385 YHGBQRMHQASEES-VYDXJSESSA-N 330.436 1.478 0 40 EDAB O=C(c1cscn1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 96067054 WODQDMGFDWYWMZ-GFCCVEGCSA-N 328.401 1.509 0 40 EDAB CO[C@H]1COC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 97953290 XHOWPEDWENSTOW-CYBMUJFWSA-N 329.393 1.784 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(Cc1ccncc1)CC2 96061531 WBKDRCTZHJZROU-QGZVFWFLSA-N 339.443 1.796 0 40 EDAB CN(C)c1ncnc2c1CCN(S(=O)(=O)c1ccccc1)CC2 96255405 FMABZSYTZOPLCY-UHFFFAOYSA-N 332.429 1.332 0 40 EDAB CCc1ccc(CN2C[C@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)o1 96185870 GUGZQDHANDCQLQ-KKUMJFAQSA-N 328.434 1.123 0 40 EDAB Cn1cccc1C(=O)N1CC[C@H]2OCCN(c3cccnc3)[C@@H]2CC1 96249444 NFGQAZZILPKZQO-SJLPKXTDSA-N 340.427 1.930 0 40 EDAB CC(C)Oc1ncc(C(=O)N2CCO[C@H](C(=O)O)C2)cc1Cl 584908047 DXDNVYBZYSVCJE-NSHDSACASA-N 328.752 1.448 0 40 EDAB Cc1cc(C)cc(-n2ncc3c(=O)n(Cc4cnn(C)n4)cnc32)c1 585084838 URYWGAGGQYMEAO-UHFFFAOYSA-N 335.371 1.376 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)C2CC=CC2)[C@H]1Cc1ccccc1 247525247 MWIRFRQGQUMIDR-SJORKVTESA-N 348.468 1.714 0 40 EDAB CN(Cc1cccnc1)[C@@H]1CCN(C(=O)c2ccco2)[C@@H](C(=O)O)C1 248157149 ZNBFTOFOSAWBJH-HUUCEWRRSA-N 343.383 1.864 0 40 EDAB Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)nn1C 252481977 CWEQQHKWGFMFGR-UHFFFAOYSA-N 348.428 1.765 0 40 EDAB Cc1cccc(N2CCC[C@@H](NC(=O)C(C)(C)n3cncn3)C2)n1 257205438 AZAUCSFRDZOJMG-CQSZACIVSA-N 328.420 1.502 0 40 EDAB Cc1cnc(C(=O)N2CCOC[C@H]2CCc2nccnc2C)cn1 257285127 PFTRTPSKHUTQFI-CQSZACIVSA-N 327.388 1.357 0 40 EDAB CN(C)CC(=O)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 257297908 RJHVDVSGTRYKMY-UHFFFAOYSA-N 340.431 1.883 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1cccc(F)c1F 257251840 JSLZKBGPHJEPSA-KRWDZBQOSA-N 332.354 1.992 0 40 EDAB Cc1cc([C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)nc(C)n1 257323789 WLVHGTOYQHGHFL-QGZVFWFLSA-N 343.431 1.586 0 40 EDAB COc1ccccc1-c1nc2sc(=Cc3ccco3)c(=O)n2n1 254699315 DBMGSTCAAGBHNU-UHFFFAOYSA-N 325.349 1.967 0 40 EDAB CC(C)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)CCO1 271722864 UEGDLQNNKFKNCG-WFASDCNBSA-N 341.429 1.940 0 40 EDAB CS(=O)(=O)NCCNC(=O)Nc1ncc(C2CCCCC2)s1 273041975 HWFMKCMXOVSVIW-UHFFFAOYSA-N 346.478 1.862 0 40 EDAB CN(C(=O)[C@@H]1CSCN1S(=O)(=O)[C@@H]1C[C@H]2CCC[C@H]21)C1CC1 1615606337 WLTFGYDYQHFUND-RUZUBIRVSA-N 344.502 1.501 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@@H]1NCCOc2ccccc21 1615614376 GKPLQJZGIMWOTL-MRXNPFEDSA-N 326.400 1.487 0 40 EDAB CCN1CCN(C2CN(C(=O)c3ccc(OC(F)F)cn3)C2)CC1 1616033045 ZCAGCUBDXYIRNP-UHFFFAOYSA-N 340.374 1.145 0 40 EDAB O=C(NCCn1cnc(C2CC2)cc1=O)c1ccc2nsnc2c1 390827407 GYEWCJSQCATRDP-UHFFFAOYSA-N 341.396 1.555 0 40 EDAB COCCN(Cc1nnc(S(C)(=O)=O)s1)[C@H]1C[C@H]2CC[C@H]1C2 390834719 UECIZDTWXIEXJH-SRVKXCTJSA-N 345.490 1.579 0 40 EDAB Cn1cc(CN2Cc3ccnn3[C@H](CCNC(=O)C3CCC3)C2)cn1 585112066 IBAUHRQTXRWXHM-MRXNPFEDSA-N 342.447 1.480 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCCN(CC(=O)N2CCCC2)C1 585277153 MBTDFMNEBXOUHC-LJQANCHMSA-N 332.444 1.823 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CCCC[C@@H]2Cc2ccccc2)CC1 65623904 HDOBETQSOOIYOX-LJQANCHMSA-N 343.471 1.774 0 40 EDAB COC(=O)[C@@H]1CCc2nnc(-c3ccc(S(C)(=O)=O)cc3)n2CC1 952881600 BFWHQSLPTAULLG-GFCCVEGCSA-N 349.412 1.474 0 40 EDAB Cc1nccn1[C@@H]1[C@@H](O)[C@H](NC2CCC(F)(F)CC2)[C@H]2CO[C@@H]1O2 952844783 IUBJWACNLSXOSV-ARILJUKYSA-N 343.374 1.385 0 40 EDAB biogenic,in-vitro O=S(=O)(C1CC1)N1CCC(CNc2ncnc3ncccc23)CC1 1776000987 SPTHJAFSHFEUBM-UHFFFAOYSA-N 347.444 1.641 0 40 EDAB CCc1nc(CS(=O)(=O)c2nccn2-c2cccc(F)c2)no1 75582894 NTJWQWUEWZMBAV-UHFFFAOYSA-N 336.348 1.931 0 40 EDAB O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCCN1C(=O)c1ccco1 77157576 KOFXNKZZKAZZKO-KKUMJFAQSA-N 334.416 1.942 0 40 EDAB CCc1n[nH]c([C@@H]2CN(Cc3cn4c(C)cc(C)nc4n3)CCO2)n1 83830178 ABGDTRUEEDBTTO-AWEZNQCLSA-N 341.419 1.600 0 40 EDAB O=C(CSc1nncn1-c1cccc(Cl)c1)NCCCO 97176052 XSUPHYKQLANWCT-UHFFFAOYSA-N 326.809 1.511 0 40 EDAB O=C(O)CN1CC[C@@H](Oc2ccc(F)cc2Br)C1=O 663218784 HEAWVADVNHCNAI-SNVBAGLBSA-N 332.125 1.653 0 40 EDAB CC(C)(C)OC(=O)[C@H]1Cc2nc(Br)sc2C(=O)N1 606241704 FXHVUHGGBDXHNW-ZCFIWIBFSA-N 333.207 1.902 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@@H](c2ccc(F)c(F)c2)N1 12113430 NLDPFUAVMTZLOR-ZUZCIYMTSA-N 349.337 1.594 0 40 EDAB COc1ccc(CNC(=O)[C@H]2C=CCN2C(=O)c2ccco2)cc1 12115064 FNUXWMITOKFQEB-OAHLLOKOSA-N 326.352 1.985 0 40 EDAB Cc1csc2c(=O)n3c(nc12)CCN(Cc1cnc(C)n1C)CC3 12221614 TXMNMJLEPDRNMR-UHFFFAOYSA-N 343.456 1.867 0 40 EDAB NC(=O)[C@H](Sc1nnnn1-c1ccc(O)cc1)c1ccccc1 14071632 KVITUPIWEXIGQV-CYBMUJFWSA-N 327.369 1.687 0 40 EDAB C[C@H]1NC(=S)N(c2cc3c(cc2Br)OCCO3)C1=O 14162742 OLQPSKRTVLYCMB-ZCFIWIBFSA-N 343.202 1.830 0 40 EDAB Cc1cccc(C2(CNC(=O)CCn3cnnn3)CCOCC2)c1 19234545 CLAAGMVMICCXLR-UHFFFAOYSA-N 329.404 1.236 0 40 EDAB COc1cncc(O[C@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 225498743 KMSRVJQJHVSIEU-ZDUSSCGKSA-N 346.387 1.703 0 40 EDAB Cc1ccc(O[C@H]2CCN(S(=O)(=O)C3CCCCC3)C2)nn1 225432045 IFGJRKYSARQZEC-ZDUSSCGKSA-N 325.434 1.901 0 40 EDAB COCCOc1ccc(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cc1C 36397732 RVJCRBXPGICQRK-KBPBESRZSA-N 343.445 1.818 0 40 EDAB CN(CC1CN(c2cc(C3CCC3)ncn2)C1)S(=O)(=O)C1CC1 1888853052 ZJUUCCHYJUSHGJ-UHFFFAOYSA-N 336.461 1.604 0 40 EDAB CC(C)(C)c1nnc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)s1 1889108548 KIBOVNOSRMYSIE-SNVBAGLBSA-N 344.506 1.886 0 40 EDAB CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 14241188 PMNFPZMURVGTQY-KSSFIOAISA-N 332.400 1.709 0 40 EDAB Cc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(C)C)C2)C1 1614945697 SXHLWTJOAXZHHY-IBGZPJMESA-N 332.444 1.947 0 40 EDAB O=C(c1ccccc1)N1CCO[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 1565542835 WNBXVHANXHTMPQ-YLJYHZDGSA-N 336.391 1.811 0 40 EDAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CC[C@H](CF)C1)CS2 1848762868 XGPCNWDTDZWYCI-VXGBXAGGSA-N 325.409 1.715 0 40 EDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)COc3ccccc3)C2)n(C)n1 2332241576 IKSBAZBJYIUICY-NUEKZKHPSA-N 344.415 1.316 0 40 EDAB COc1cc(CNCCN2C[C@H](C)O[C@H](C)C2)cc(OC)c1OC 30663149 ZHXVPIXUIJDALL-OKILXGFUSA-N 338.448 1.911 0 40 EDAB CN(CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1cnccn1 30897700 REODHFQJXIXJRN-OAHLLOKOSA-N 330.363 1.652 0 40 EDAB COc1ccc(OC)c(CCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 40490368 XMWLIUMUMGYYIV-CYBMUJFWSA-N 341.429 1.282 0 40 EDAB Cc1cc(=O)n2nc(NCCc3ccc4c(c3)OCCO4)sc2n1 40489705 DQAAEYUHRBWNSF-UHFFFAOYSA-N 344.396 1.885 0 40 EDAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccnc1-n1cccn1)CS2 40509340 VLBOPCCKWWRBHX-BLLLJJGKSA-N 343.412 1.660 0 40 EDAB COc1ccc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1 31941657 KJKGXCJTNLSGSV-KRWDZBQOSA-N 336.457 1.633 0 40 EDAB Cc1cc(C)c2c(n1)oc1c(=O)n(CC(=O)N3CCOCC3)cnc12 32102076 VUBYHYKNXJIPLR-UHFFFAOYSA-N 342.355 1.013 0 40 EDAB OCC1CCN(c2ccc(CNc3ncnc4[nH]cnc34)cn2)CC1 52446951 PTIXSBWOZPBSGN-UHFFFAOYSA-N 339.403 1.569 0 40 EDAB CC(C)N1C[C@H](C(=O)NCc2ccccc2Cn2cncn2)CC1=O 33107884 ZQYQWXITXNTAFI-MRXNPFEDSA-N 341.415 1.200 0 40 EDAB CN[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 53202834 JWGASURUOIIGHV-LLVKDONJSA-N 333.251 1.822 0 40 EDAB CCN1CCN(C(=O)[C@@H](C)N2CCC(c3nc(C)no3)CC2)CC1 53641236 ICPAJFBBSRPMEB-CYBMUJFWSA-N 335.452 1.110 0 40 EDAB COCCn1cc(NC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)cn1 47154529 PNKWWHZKEMEGJQ-LLVKDONJSA-N 343.387 1.907 0 40 EDAB CC(=O)N1CCc2ccccc2[C@@H]1c1c(O)n(C)c(=S)n(C)c1=O 488663 YPHDMWLZRDJBET-CQSZACIVSA-N 345.424 1.653 0 40 EDAB biogenic CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)NCCC(=O)O 3068972 XWQPQRJBYFZPDN-UHFFFAOYSA-N 333.340 1.634 0 40 EDAB C[C@H](NC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1 47617286 SFLGAFGIRSXORE-LBPRGKRZSA-N 348.428 1.332 0 40 EDAB CC1(C)Cc2ccc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)c(O)c2O1 78441348 FXCWTMUFQAJIBT-KGLIPLIRSA-N 346.427 1.699 0 40 EDAB Cc1cc(C)n(CCC(=O)N2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)n1 78889498 WTEJUBSJENAPCT-AWEZNQCLSA-N 346.435 1.732 0 40 EDAB Cc1cc(C)n(CCCNC(=O)CNC(=O)c2ccccc2F)n1 23246595 BJMJWXBDXXSKES-UHFFFAOYSA-N 332.379 1.575 0 40 EDAB NS(=O)(=O)CCCN1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 78900863 VKGMHYVIBLPUOK-SECBINFHSA-N 340.371 1.287 0 40 EDAB O=C(COC(=O)c1ccc(O)cc1)NCc1ccc2c(c1)OCO2 3246677 QHENSIVYPMPWHH-UHFFFAOYSA-N 329.308 1.594 0 40 EDAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@H]21 4883974 NLZNOCHSXSJILW-NEULZYRMSA-N 334.372 1.257 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24476282 NERUWEBBICUQRI-LLVKDONJSA-N 328.324 1.678 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@H]3OC(C)(C)O[C@H]23)cc1 4973242 PCJMDKXWTOBFHV-MGPQQGTHSA-N 327.402 1.192 0 40 EDAB C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(S(C)(=O)=O)CC1 24508969 UXOAJRMZXLCVEA-LBPRGKRZSA-N 336.417 1.375 0 40 EDAB CCCC(=O)N1CCC(C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)CC1 55114299 FCMUILJZOPPEKT-HUUCEWRRSA-N 339.480 1.251 0 40 EDAB C[C@@H]1NC(C(=O)N[C@H](C)[C@H]2CCCO2)=NN(c2ccccc2)C1=O 106063795 ONCWQBLXJUMXNF-MBNYWOFBSA-N 330.388 1.009 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1ncc(-c2ccccc2)o1 24806074 IBNVHDXTTRUOFD-CYBMUJFWSA-N 329.356 1.205 0 40 EDAB CC(C)c1nc2ccccc2c2nn(CC(=O)NCC3CC3)c(=O)n12 57730985 IBORMMGJOUUAIG-UHFFFAOYSA-N 339.399 1.694 0 40 EDAB Cc1cc(CN(C)C(=O)c2cc(Cl)ccc2-n2cnnn2)no1 25139151 ZIDWVNSWLRFQNK-UHFFFAOYSA-N 332.751 1.884 0 40 EDAB CC(C)S(=O)(=O)N1CC[C@@H](NCc2ccc(CO)o2)[C@@H](C)C1 106918604 UBGFKTVXGGMYIU-SWLSCSKDSA-N 330.450 1.310 0 40 EDAB COc1ccccc1[C@H](CNC(=O)[C@H](C)OC)NC(=O)[C@H](C)OC 107049886 VTQDBPLVAMFNLU-OBJOEFQTSA-N 338.404 1.039 0 40 EDAB c1ccc(CN2CCOC[C@@]3(CC[C@@H](CN4CCOCC4)O3)C2)nc1 107194821 MFTYQFCHHHTKNR-RBUKOAKNSA-N 347.459 1.164 0 40 EDAB Cc1ccc(CC(=O)NC2CCN(CC(=O)N3CCCC3)CC2)cc1 56809146 ZPMZBAIDRJUXNY-UHFFFAOYSA-N 343.471 1.741 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)NC1CCN(C(C)=O)CC1)CO2 48015607 BOMRJMWSHXDAQR-UHFFFAOYSA-N 344.411 1.988 0 40 EDAB COC(=O)CCCN(C)C(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1 57202888 XONBUILDKBZOFJ-UHFFFAOYSA-N 331.372 1.499 0 40 EDAB CC1CCN(S(=O)(=O)NC[C@H]2COc3ccccc3O2)CC1 44293571 WJOPKLZLPHPORF-ZDUSSCGKSA-N 326.418 1.393 0 40 EDAB C[C@@H](OC(=O)Cn1cnc2c(oc3ccccc32)c1=O)C(=O)N(C)C 57854421 GNAMJZBVESXAFK-SNVBAGLBSA-N 343.339 1.163 0 40 EDAB O=C1NC2(CCOCC2)C(=O)N1CC(=O)N1CCCc2ccccc21 57947150 QNIBPAAACITUTK-UHFFFAOYSA-N 343.383 1.067 0 40 EDAB O=C(CNC(=O)C1CCCCC1)NC[C@H]1COc2ccccc2O1 10032627 VMBFKSJZDQXMOY-AWEZNQCLSA-N 332.400 1.639 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CSc1nnnn1-c1ccccc1 3292206 KQBNVJDUZAPASU-UHFFFAOYSA-N 334.405 1.379 0 40 EDAB O=C(NCc1cccs1)c1ccc(S(=O)(=O)CCO)cc1 58147869 QQIPMHUGEJWXQA-UHFFFAOYSA-N 325.411 1.444 0 40 EDAB CN(CCOc1ccccc1)C(=O)Cn1ncc(=O)c2ccccc21 44890040 WKWHYHUMDWUHIY-UHFFFAOYSA-N 337.379 1.934 0 40 EDAB CCS(=O)(=O)Nc1ccccc1C(=O)NCCNc1cnccn1 58278477 WSEDPJZESBWPIS-UHFFFAOYSA-N 349.416 1.080 0 40 EDAB CC(C)[C@H](CNC(=O)N1CCN(c2nccs2)CC1)N(C)C 44910206 DZPXBCMQFBOTFH-ZDUSSCGKSA-N 325.482 1.561 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)c1c[nH]nc1-c1ccc(F)cc1 44943342 QIWOSSAIPPKHDP-LBPRGKRZSA-N 332.379 1.666 0 40 EDAB Cc1ccc(CN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C2CC2)o1 44968227 DFWPYPYYFFGRAK-GFCCVEGCSA-N 326.418 1.697 0 40 EDAB Cc1c(OCC(=O)NCCC(=O)O)ccc2c3c(c(=O)oc12)CCC3 2146598 QUDLIVBMKAZYQC-UHFFFAOYSA-N 345.351 1.560 0 40 EDAB biogenic COC(=O)[C@H](CCSC)NC(=O)NCCc1ccc(OC)cc1 2103470 UJXSORRZHRVPJC-AWEZNQCLSA-N 340.445 1.832 0 40 EDAB biogenic CCOCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 58393891 KYHLVTQJDDLHHG-NSHDSACASA-N 332.447 1.054 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CNC(=O)OC(C)(C)C 58404923 AZYSCFBONSYEDP-LBPRGKRZSA-N 336.388 1.810 0 40 EDAB O=C(NCc1ccc(Cn2ccnc2)cc1)N1CCC[C@H](CO)C1 48262455 UWHCXNYDVZQXOC-KRWDZBQOSA-N 328.416 1.845 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 3309186 ONHKYRAYWNOXDF-AWEZNQCLSA-N 347.440 1.245 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108524714 XLXAYHRJNJOOLQ-ZDUSSCGKSA-N 340.449 1.252 0 40 EDAB COc1cc2c(cc1OC)CN(CCN1C(=O)NC(C)(C)C1=O)CC2 45735267 WQRBSEQDICNMSR-UHFFFAOYSA-N 347.415 1.392 0 40 EDAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccoc2)s1 45835481 LVZMRXVLVMUJDM-UHFFFAOYSA-N 328.415 1.363 0 40 EDAB NC(=O)c1ccccc1NC(=O)CN1CCO[C@H](c2ccccc2)C1 29536551 BBROSKRLEPNVCW-KRWDZBQOSA-N 339.395 1.798 0 40 EDAB COC(=O)C1CCN(C(=O)CN2CCc3ccc(OC)cc3C2)CC1 60042412 CBMXLFMEQIJBER-UHFFFAOYSA-N 346.427 1.465 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N(C)Cc1ccc2c(c1)OCCO2 47027742 PBQSHMWGKWAFBA-CYBMUJFWSA-N 330.388 1.884 0 40 EDAB O=C(NCCc1ccco1)C1CCN(c2ncnc3[nH]cnc23)CC1 95476746 TXRWGHLYBSQRLR-UHFFFAOYSA-N 340.387 1.521 0 40 EDAB CCOCCCn1c(S[C@H](C)C(N)=O)nc2ccccc2c1=O 3500300 DZOKPMFIQBRSRG-LLVKDONJSA-N 335.429 1.789 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CCCC2)cc1 12999062 VGPFJFIUAFEUAG-CYBMUJFWSA-N 339.461 1.796 0 40 EDAB COc1cc(OC)c2c(C)c(CC(=O)N(C)CCO)c(=O)oc2c1 9183676 ZZZXDGGBQLVTAE-UHFFFAOYSA-N 335.356 1.112 0 40 EDAB COc1ccc2c(C)c(CCC(=O)N(C)CC(=O)O)c(=O)oc2c1 3863621 JDMLOVWBYYTPMM-UHFFFAOYSA-N 333.340 1.586 0 40 EDAB CC1(C)CN(S(=O)(=O)c2cccc3cccnc23)CC[S@@]1=O 95417530 PNHQFWZLNFEFOR-OAQYLSRUSA-N 338.454 1.766 0 40 EDAB CS(=O)(=O)N1CCN(Cc2ccc(Br)s2)CC1 49392522 RKHNNZZBUKCEIU-UHFFFAOYSA-N 339.280 1.588 0 40 EDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1nccs1 49547966 LNDSCTVIHKTFAT-UHFFFAOYSA-N 345.428 1.613 0 40 EDAB COc1ccc2c(c1)C(=O)C(=O)N2S(=O)(=O)c1ccc(C)cc1 13653547 VBIUAMTZDFXGSG-UHFFFAOYSA-N 331.349 1.922 0 40 EDAB C[C@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1ccncc1 65444253 CMVNBXRXXZFLJV-GXTWGEPZSA-N 340.449 1.256 0 40 EDAB CONC(=O)[C@H](CCSC)NC(=O)c1ccc2ccccc2n1 65538816 PAQOLQPDNKTCPY-AWEZNQCLSA-N 333.413 1.764 0 40 EDAB NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)Cc2cccs2)c1 65502433 QCUYJKFDLMDSCX-UHFFFAOYSA-N 349.387 1.674 0 40 EDAB O=C(CNC(=O)N1CCn2c1nc1ccccc12)N1CCCCC1 6664747 VIWOEIJFUXIIDD-UHFFFAOYSA-N 327.388 1.578 0 40 EDAB CCOCCCn1c(SCC(=O)NC)nc2ccccc2c1=O 6788350 JKABXJBZROIECT-UHFFFAOYSA-N 335.429 1.661 0 40 EDAB C[C@H](OC(=O)CNC(=O)c1ccccc1)C(=O)NCc1ccccc1 5715982 FJUDLFYIMXUISN-AWEZNQCLSA-N 340.379 1.665 0 40 EDAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccco1 19819726 WHHWCZZNKPDUHO-AWEZNQCLSA-N 344.367 1.812 0 40 EDAB COc1ccccc1[C@@H]1C[C@H]1C(=O)NCCc1n[nH]c(=S)n1C 67051842 WVXXVPIVILHWSK-NWDGAFQWSA-N 332.429 1.949 0 40 EDAB O=S(=O)(NC1CCN(CCCn2ccnc2)CC1)c1ccccc1 96493095 SVEPGEZWRCZTPD-UHFFFAOYSA-N 348.472 1.716 0 40 EDAB CCOC(=O)[C@@H]1CO[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1=O 95698584 CUSCLGOLBQLHIM-TUAOUCFPSA-N 327.377 1.391 0 40 EDAB in-vitro O=C(Nc1ccc(SCCN2CCOCC2)nn1)c1ccco1 23128302 VJOBLUARZDQBRO-UHFFFAOYSA-N 334.401 1.746 0 40 EDAB CS(=O)(=O)c1ccc(CNC[C@H]2CCCN2c2cccnn2)cc1 71877229 DDQQUTRYDVMBDX-OAHLLOKOSA-N 346.456 1.639 0 40 EDAB CC(C)CN(CCN(C)C)C(=O)C1CCN(c2ncccn2)CC1 71853858 FDWBPNANJMRCPD-UHFFFAOYSA-N 333.480 1.739 0 40 EDAB CC(C)CNC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 15858573 PYMTYTRPLUZWJF-UHFFFAOYSA-N 338.429 1.775 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(OCC(F)(F)F)nc1 71829698 YGOJSCCOKDJUHS-MWLCHTKSSA-N 345.321 1.749 0 40 EDAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@H]1Cn1cccn1 71866436 IBOATHZTHUBEKW-CVEARBPZSA-N 340.431 1.581 0 40 EDAB COc1ccc2c(ccn2CC(=O)N2CCN(C[C@@H](C)O)CC2)c1 71871259 DEDAHQYLWYAGRN-CQSZACIVSA-N 331.416 1.175 0 40 EDAB O=C(/C=C/c1ccccc1)NCCNc1ccc(-n2cccn2)nn1 19924288 CENSGHVOEWUNNC-JXMROGBWSA-N 334.383 1.904 0 40 EDAB NS(=O)(=O)c1cccnc1NCc1ccc(Cn2ccnc2)cc1 80948932 GZMHOZIXBXLOFU-UHFFFAOYSA-N 343.412 1.586 0 40 EDAB CNC(=O)COC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 71921962 PNJMRGFKWFAQHF-UHFFFAOYSA-N 339.701 1.845 0 40 EDAB CCNC(=O)CN1CCN(C(=O)C[C@@H](C)c2ccccc2F)CC1 69349377 UJBMLGMRFMSHPM-CQSZACIVSA-N 335.423 1.600 0 40 EDAB Cc1ccsc1-c1nnc(NC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)[nH]1 69388439 JOOWBJBLAJCJSE-VHSXEESVSA-N 333.417 1.942 0 40 EDAB C[C@H](NC(=O)CN1CCN(Cc2nccn2C)CC1)c1ccccc1 69367608 HIKPXIVTOJBEMU-INIZCTEOSA-N 341.459 1.415 0 40 EDAB CCCCN1C(=O)C(=C2C(=O)NC(=S)NC2=O)c2ccccc21 409386832 GSCHPQCYBNOZFA-UHFFFAOYSA-N 329.381 1.118 0 40 EDAB O=C(Nc1nc[nH]n1)c1cc(F)ccc1I 69434952 SKMSMKDINGMJSN-UHFFFAOYSA-N 332.076 1.801 0 40 EDAB Cn1ccnc1CN1CCN(Cc2nc(-c3ccco3)no2)CC1 69443466 UOXAAZJIRDLJMQ-UHFFFAOYSA-N 328.376 1.381 0 40 EDAB O=C(NC[C@@H](O)COCC1CC1)c1cccnc1NC1CCCC1 95963471 NDKDICNCGXUHLA-OAHLLOKOSA-N 333.432 1.953 0 40 EDAB CNC(=O)NC(=O)CN1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C 69509854 ONQMMHYENBGQGT-VXGBXAGGSA-N 342.440 1.210 0 40 EDAB O=c1cc(CN2CCC[C@@H]2Cn2cncn2)nc2ccc(Cl)cn12 69601513 HNFRXHAIUNBKNX-CQSZACIVSA-N 344.806 1.604 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cn1 69655223 GZFKEQAREZEBRZ-CZUORRHYSA-N 342.399 1.725 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(c3cn[nH]c3)CC2)cc1C(N)=O 95986231 WBYDHXVQENRBPV-UHFFFAOYSA-N 348.428 1.385 0 40 EDAB O=C1CN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CCN1 17818471 MXMRYDLUNXVNKN-UHFFFAOYSA-N 332.363 1.869 0 40 EDAB COCCCNC(=O)C1CCN(C(=O)COc2cccc(C)c2)CC1 69740585 PVNXMVKDMRSPCK-UHFFFAOYSA-N 348.443 1.765 0 40 EDAB CN1C[C@H](C(=O)NCc2ccnc(OC3CCCCC3)c2)CC1=O 69738059 YFENNFBGIMBATH-CQSZACIVSA-N 331.416 1.888 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2c(F)cccc2Cl)CC1 69739949 PKERPSXNZJZBIB-LBPRGKRZSA-N 344.814 1.634 0 40 EDAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCc2cncnc2C1 69808212 JJODAIFCPHCBBW-ZDUSSCGKSA-N 328.391 1.721 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N1CCC[C@@H]1c1cccs1)CC2 69969609 YCWFTPVSMWGYMT-UONOGXRCSA-N 345.472 1.916 0 40 EDAB CC(C)[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)C(N)=O 69900373 BYRDSULPPXSKDX-YPMHNXCESA-N 337.445 1.226 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)N1CCCN(c2cccnn2)CC1 69947631 JYDISWMFIDKVPS-OAHLLOKOSA-N 326.400 1.983 0 40 EDAB COCc1noc([C@H](C)N2CCN(c3nc4ccccc4[nH]3)CC2)n1 97086178 XLRMMEADMHOKBF-LBPRGKRZSA-N 342.403 1.976 0 40 EDAB COc1cc(C(C)=O)ccc1O[C@@H]1CCN(c2cnn(C)c2)C1=O 72277624 DZOQYCZFJSYKQF-OAHLLOKOSA-N 329.356 1.816 0 40 EDAB C[C@H](C(=O)N[C@@H](C(N)=O)c1ccccc1)N(C)Cc1ccccc1 72288302 JDENPDJHBZJRDU-RHSMWYFYSA-N 325.412 1.850 0 40 EDAB COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)Cn2cncn2)cc1 72302784 IHQGHNOBBSGXLA-NSHDSACASA-N 326.360 1.495 0 40 EDAB COCc1nc(C)cc(N2CCN(C(=O)c3ccsc3)CC2)n1 75047071 HNNCDOHVLOKQIX-UHFFFAOYSA-N 332.429 1.955 0 40 EDAB Cc1ncsc1C(=O)N1CCN(Cc2noc(C3CC3)n2)CC1 89565443 VKEKBLMABGPHDO-UHFFFAOYSA-N 333.417 1.670 0 40 EDAB O=C(NCCCc1nc[nH]n1)c1cccc(OC[C@@H]2CCCO2)c1 75144719 GYPRBNMCZJHYEU-HNNXBMFYSA-N 330.388 1.725 0 40 EDAB O=C(NCc1cccc2cccnc12)NC[C@H]1CN2CCC[C@@H]2CO1 89807998 CECAUGFBYKFJHC-SJORKVTESA-N 340.427 1.897 0 40 EDAB CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cnn(C)c2)C12CCCC2 76019902 DZTCNQWXLFLHDA-ZIAGYGMSSA-N 327.450 1.778 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1 76087093 JNDWYKRPBQJZOR-AWEZNQCLSA-N 345.451 1.351 0 40 EDAB CCN1CC[C@@H](NC(=O)NC(C)C)c2ccccc2S1(=O)=O 306143419 YBYNRYFGYPQKPY-CYBMUJFWSA-N 325.434 1.850 0 40 EDAB COc1ccc(-c2ccc(CNC(=O)[C@@H]3CNCCN3C)cc2)cc1 1548547019 KJUOTAAXTVJFKE-IBGZPJMESA-N 339.439 1.882 0 40 EDAB C[C@H](NC(=O)C(=O)N[C@H]1COc2ccccc2O1)c1ccccc1 27298937 AABYRQRTDIJIJY-BLLLJJGKSA-N 326.352 1.778 0 40 EDAB Cc1cocc1C(=O)N1C[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C(C)(C)C1 1008355281 ODYNSNSFGJVZTI-UGSOOPFHSA-N 347.415 1.081 0 40 EDAB CC(C)c1nccn1CCC(=O)N1CCC2(CC1)CNC(=O)N2C 516922311 VHHSZBHKMQAYNI-UHFFFAOYSA-N 333.436 1.413 0 40 EDAB O=C(C1=NO[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12)c1cccs1 3849132 JYZNJESGLCRSBP-BXUZGUMPSA-N 326.333 1.875 0 40 EDAB biogenic CNC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O 524730100 VXQDHNHXUGCZIP-LLVKDONJSA-N 333.340 1.636 0 40 EDAB biogenic COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCCn1cnnn1)CC3 524733759 NOCOHPIPVIPEHI-UHFFFAOYSA-N 340.387 1.528 0 40 EDAB C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Cc1ccc2c(c1)NC(=O)C2 186914612 JWYMVWZLCQPCLQ-ZDUSSCGKSA-N 345.443 1.027 0 40 EDAB COc1ccc(C)cc1NC(=O)c1ccc(N2CCOCC2)nn1 75172692 MNSVPBCWERJLGA-UHFFFAOYSA-N 328.372 1.883 0 40 EDAB CNC(=O)CCc1cc(C)nc(C2CCN(C(=O)CN(C)C)CC2)c1 72382858 ZOXQWKFSZMFVPZ-UHFFFAOYSA-N 346.475 1.336 0 40 EDAB CCOC1CCN(C(=O)NCCn2c(=O)oc3ccccc32)CC1 78605124 ZMGZHFZHLWVEHI-UHFFFAOYSA-N 333.388 1.805 0 40 EDAB CC(C)(C)c1n[nH]cc1CNCCc1ccc(S(N)(=O)=O)cc1 78552306 WHWCQLUQYVUCOR-UHFFFAOYSA-N 336.461 1.687 0 40 EDAB CCOc1cc(C)nc(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)n1 35315761 YZAFROPQGWMLQY-HNNXBMFYSA-N 348.447 1.695 0 40 EDAB Cc1cnn(CCC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1 78997654 XUVIWZKKRGICNG-AWEZNQCLSA-N 330.363 1.642 0 40 EDAB O=C(O)c1ccc(N[C@@H](CN2CCOCC2)c2ccccc2)nn1 570097789 LEJCZGDLYJTOJL-HNNXBMFYSA-N 328.372 1.660 0 40 EDAB O=C1O[C@H](C(=O)NCCc2ccc3c(c2)OCO3)Cc2ccccc21 44870022 VXAXWKIHTIUFGG-KRWDZBQOSA-N 339.347 1.856 0 40 EDAB COc1ccc(C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)cn1 225448400 PBQDDGDXXKFYCO-CYBMUJFWSA-N 343.387 1.240 0 40 EDAB O=C(NCCSc1ncn[nH]1)[C@H]1CCCN(Cc2ccccc2)C1 225901263 IXSDWDBVPBXLIS-HNNXBMFYSA-N 345.472 1.925 0 40 EDAB CCN1C[C@@]2(CC1=O)CN(Cc1ccco1)CCN(C(=O)C(C)C)C2 96036164 FLBBDQQIMHQJBA-LJQANCHMSA-N 347.459 1.818 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCC3(CC2)C[C@@H](N(C)C)CO3)c1 96063056 SMCUEYWVMRUULD-OAHLLOKOSA-N 338.473 1.869 0 40 EDAB O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1cnn(CC(F)F)c1 96421725 AUFDWICZZDGPCN-UHFFFAOYSA-N 344.268 1.795 0 40 EDAB CN(C)CC(=O)N1C[C@H]2CCC[C@H](N(C)Cc3ccccn3)[C@H]2C1 96183070 NPHDCNGQYQHHCM-NJAFHUGGSA-N 330.476 1.702 0 40 EDAB C[C@H](NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)C(=O)N(C)C 96439266 IHVFRSZHSZHANR-OLZOCXBDSA-N 329.404 1.709 0 40 EDAB O=C1[C@H](Sc2nnnn2CCc2cccs2)CCN1C1CC1 96452428 SNAIZMGHGBAZEL-GFCCVEGCSA-N 335.458 1.833 0 40 EDAB O=C(Cc1ccccc1F)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96107994 NYFZJAOYZUHMLY-FUHWJXTLSA-N 332.419 1.937 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@H]2[C@@H]1CC[C@@H]2CNc1cccnc1 96250177 GWGYIWPMMZAROJ-XOKHGSTOSA-N 339.399 1.603 0 40 EDAB c1cnn(C[C@H]2CC[C@@]3(COCCN(Cc4nccs4)C3)O2)c1 96160327 OLCIZIKGOPPHPB-GDBMZVCRSA-N 334.445 1.790 0 40 EDAB CN(CCN1CCOCC1)[C@@H](CO)c1cccc(Br)c1 96487672 CKMGFUPQYXERKZ-HNNXBMFYSA-N 343.265 1.747 0 40 EDAB O=c1ccc2c(n1CCN1CCCC1)CCN(C[C@H]1CCOC1)CC2 96067777 LNOOLRQJEHKXDP-QGZVFWFLSA-N 345.487 1.381 0 40 EDAB O=C(c1ccc(N2CCC(O)CC2)cc1)N1CCC2(CCN2)CC1 580080162 SGNNXHIDNYBJIN-UHFFFAOYSA-N 329.444 1.616 0 40 EDAB c1cncc(N2CCOC[C@]3(CN(Cc4ccco4)CCO3)C2)c1 96049849 KKBJRIMOPHHOQP-SFHVURJKSA-N 329.400 1.782 0 40 EDAB Cc1cccc(CN2CCn3cc(CN4CCOCC4)nc3C2)n1 96197288 ONPHWQHDGJDJRS-UHFFFAOYSA-N 327.432 1.435 0 40 EDAB O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@](O)(c2cnn[nH]2)C1 583617699 GJGSZPNHPLETHL-QGZVFWFLSA-N 338.371 1.114 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Cc2ccnn2C)cc1 583623771 ISGSUSZKDNHJOM-IEBWSBKVSA-N 343.427 1.870 0 40 EDAB O=C(c1ccncc1)N1CC[C@@H]2CN(C3CCOCC3)CCO[C@@H]2C1 96249673 HXCCVTSDFCSPCD-SJLPKXTDSA-N 345.443 1.424 0 40 EDAB O=C(Cc1ccsc1)N1CCn2c(Cn3cncn3)cnc2C1 96201149 NTSIPKNMDLCWQT-UHFFFAOYSA-N 328.401 1.169 0 40 EDAB COCC(=O)NC[C@@H]1CN(Cc2ccccc2OC)Cc2cncn21 248120199 DJFBVBWXQHDJMI-MRXNPFEDSA-N 344.415 1.211 0 40 EDAB Cn1ccc(C(=O)N2CC3(C[C@H](Oc4cccnc4)CS3)C2)n1 248093817 CRGDGXAYUDGBCF-ZDUSSCGKSA-N 330.413 1.594 0 40 EDAB CCn1ncn(NC(=O)c2cc(N(C)C)nc3ccccc23)c1=O 585085919 WPIIEFYLELXOPW-UHFFFAOYSA-N 326.360 1.063 0 40 EDAB COc1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)c(OC)c1 244331106 XOAVSSAUWPNTFJ-UHFFFAOYSA-N 344.371 1.583 0 40 EDAB O=C(N[C@]1(CO)COc2ccccc2C1)c1ccc2c(c1)CCO2 529819404 ACMUTHLIMHQVGG-LJQANCHMSA-N 325.364 1.718 0 40 EDAB COc1ccccc1CN1CC2(C[C@@H](OCC(=O)N(C)C)CCO2)C1 247987879 KWORTLICLGUPBN-INIZCTEOSA-N 348.443 1.533 0 40 EDAB C1CC(CO[C@@H]2CCOC3(C2)CN(C2CCOCC2)C3)CCO1 247922469 CQKHPOOMRLDVFP-QGZVFWFLSA-N 325.449 1.842 0 40 EDAB CCOC(=O)c1nc2ccccn2c1NC(=O)COC[C@@H]1CCCO1 585125249 LGWDDWIQIIFWCX-LBPRGKRZSA-N 347.371 1.645 0 40 EDAB CN(C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccon1 585125601 YHUHMBRVPPIEHO-NSHDSACASA-N 343.339 1.462 0 40 EDAB COC[C@]1(C(N)=S)[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 252515873 OGGRRYXSGGBLQV-LOWVWBTDSA-N 333.862 1.769 0 40 EDAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(CC(N)=O)[C@@H]3C[C@@H]21 257229794 FZMXELZXPBPSCD-CQJJVWNLSA-N 332.400 1.569 0 40 EDAB CN(C(=O)c1ccn(C)n1)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257272544 NCVARGJVFOEBMF-BZUAXINKSA-N 330.388 1.248 0 40 EDAB CN(C)c1cc([C@@H]2CCCN2C(=O)CCN2CCOCC2)ccn1 257227103 FNQNOBPNVJOOKZ-INIZCTEOSA-N 332.448 1.533 0 40 EDAB Cn1nccc1-c1cc(C[C@@H]2CCCN(S(C)(=O)=O)C2)ncn1 257234807 GVDPFELLYFBDPM-LBPRGKRZSA-N 335.433 1.091 0 40 EDAB O=C(c1cnc(C2CC2)nc1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257225854 FIDXVOHYFSPRMI-HZPDHXFCSA-N 343.358 1.757 0 40 EDAB COCC(=O)N1CCC(Cc2cccc(-c3ccnn3C)n2)CC1 257213358 CHFJBUYIZCDDHK-UHFFFAOYSA-N 328.416 1.910 0 40 EDAB COCC(=O)N1CCC(c2cncc(-c3c(C)n[nH]c3C)n2)CC1 257226193 FJNOEOKFXQKGDV-UHFFFAOYSA-N 329.404 1.836 0 40 EDAB O=C(NCC[C@@H](O)c1ccoc1)C(=O)Nc1ccc2c(c1)OCCO2 253400628 LMDGMUQVFBJDAB-CYBMUJFWSA-N 346.339 1.229 0 40 EDAB CCC[C@H](O)CNc1ccc(F)cc1S(=O)(=O)NCCOCC 1615046574 LNPPUEZNFKIUQY-ZDUSSCGKSA-N 348.440 1.713 0 40 EDAB O=S(=O)(c1cc(F)ccc1Cl)N1CC(N[C@H]2CCOC2)C1 1616038352 PJHZWDOEPBLXPL-JTQLQIEISA-N 334.800 1.231 0 40 EDAB COc1nn(C)cc1C(=O)NCCn1ccc(-c2ccccn2)n1 96098862 PDDGLAHQVXNEMI-UHFFFAOYSA-N 326.360 1.117 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CC(S(=O)(=O)Cc2ccco2)C1 96380358 LUADYPAHIUMMAR-UHFFFAOYSA-N 349.364 1.448 0 40 EDAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccnc2)OCCO)cc1 96338164 CCFHORZQAWFWQW-MRXNPFEDSA-N 343.383 1.195 0 40 EDAB O=c1n(CCN2CCN(Cc3cccs3)CC2)nc2ccccn12 26906374 NZAALQMENHMPNP-UHFFFAOYSA-N 343.456 1.375 0 40 EDAB O=S(=O)(c1cccnc1)N1CC2(C[C@@H](OCC3CC3)CCO2)C1 575404036 LNELVSABBACRCG-AWEZNQCLSA-N 338.429 1.430 0 40 EDAB COc1cccc2[nH]c(C(=O)N3CCN(C)[C@H](C(=O)N(C)C)C3)cc12 585168415 WJODSQOKBXQVMY-HNNXBMFYSA-N 344.415 1.021 0 40 EDAB C[C@@H]1C(=O)Nc2ccccc2N1C(=O)Cc1nc(C2CC2)nn1C 585141401 VJIKJSNDFVRILO-SNVBAGLBSA-N 325.372 1.609 0 40 EDAB O=C(Cc1cccnc1)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585268944 FFVCJNVAGFQXNF-IBGZPJMESA-N 344.386 1.596 0 40 EDAB CN(C)C(=O)COCC[C@@H]1CN(C2CCOCC2)Cc2cccn2C1 585095089 DYWJUSNLFSWZKZ-INIZCTEOSA-N 349.475 1.594 0 40 EDAB Cc1ccc(S(=O)(=O)NCCn2nc3c(cc2=O)CCC3)cc1C 585150566 RJPNSVZIWDPKNH-UHFFFAOYSA-N 347.440 1.327 0 40 EDAB CCS(=O)(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 72340734 NPEMSNBDFNYKEH-UHFFFAOYSA-N 331.401 1.273 0 40 EDAB Cn1cnc2c(NCC3CCN([C@@H]4CCSC4)CC3)ncnc21 1776001232 GSPNPNDWALSGNR-CYBMUJFWSA-N 332.477 1.993 0 40 EDAB C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 58430407 ITJGWHHSQQSUDR-RYUDHWBXSA-N 341.415 1.980 0 40 EDAB COc1ccc(CCNC(=O)N2CCCN([C@H]3CCOC3)CC2)cc1 1565522467 IPPUOULPXYWJOS-KRWDZBQOSA-N 347.459 1.744 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 75140679 CUXXLXBBYSCCHF-UHFFFAOYSA-N 337.423 1.985 0 40 EDAB COc1ccc(C2=CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 40542386 KZACLVIQUCNHMN-HNNXBMFYSA-N 335.425 1.746 0 40 EDAB COC(=O)c1nn(-c2ccccc2)c(=O)c(Br)c1O 162472 FOZLZGIOPRDAHY-UHFFFAOYSA-N 325.118 1.487 0 40 EDAB COc1cc(C(=O)NC(C)(C)C)c(N(C)S(C)(=O)=O)cc1OC 13582512 IAENRZPAIRFSNB-UHFFFAOYSA-N 344.433 1.628 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)C)cc1OC 16575264 TXJIQIQPLDEPLD-UHFFFAOYSA-N 344.433 1.097 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19529528 HPFWDUDMFYFZEJ-WZTLGTBRSA-N 330.384 1.192 0 40 EDAB COc1cccc(-n2nnc(C(=O)NCCc3cnccn3)c2C)c1 19557762 HWMPAPIYIMYTGX-UHFFFAOYSA-N 338.371 1.347 0 40 EDAB COc1ccccc1N1C[C@H](NC(=O)CC[C@@H]2CCCO2)CC1=O 19570987 BCWGFFHEKBUIRR-KGLIPLIRSA-N 332.400 1.876 0 40 EDAB CN(C)c1ncc(CN2CCN(C(=O)c3cccc(F)c3)CC2)cn1 19585531 TXITTWOBRHDSOE-UHFFFAOYSA-N 343.406 1.640 0 40 EDAB CCc1csc(-n2cc(C(=O)N3CCC[C@@H]3C(=O)N(C)C)cn2)n1 535695382 YQVYJZXQGLMWBU-CYBMUJFWSA-N 347.444 1.584 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1[C@@H]2CN(C)[C@@H]3CCC[C@H]1[C@]3(C)C2 1848354195 LLPSDOULEKVMPT-DRPJVOAASA-N 338.477 1.364 0 40 EDAB O=C([C@@H]1CN(c2ccc(C(F)(F)F)cn2)CCO1)N1CCCC1 1889096191 CGKYXHGFCPMMNW-LBPRGKRZSA-N 329.322 1.928 0 40 EDAB Cc1ccc(C(=O)NCCn2nnc3ccc(F)cc3c2=O)cn1 245015247 LSZNUFBLPMJNFY-UHFFFAOYSA-N 327.319 1.064 0 40 EDAB CCOC(=O)N1CCC(Nc2ncncc2-c2nc(C)no2)CC1 245093472 ROWBHLSHSUJRHI-UHFFFAOYSA-N 332.364 1.868 0 40 EDAB Cc1nc(C(=O)N2CCCn3nnc(CN4CCCC4)c3C2)cs1 1565554459 RTPBPWHCGVZLHP-UHFFFAOYSA-N 346.460 1.685 0 40 EDAB Cc1nc(C(=O)N2CCC3(CC2)CC(C(=O)NC2CC2)=NO3)cs1 1565545799 OXXBSJWCIFHSPC-UHFFFAOYSA-N 348.428 1.481 0 40 EDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)[C@H]4[C@H]5COC[C@H]54)CC3)O2)n1 1565542924 ITOAYVDNBDVXFG-CRWXNKLISA-N 333.388 1.483 0 40 EDAB COc1cccc2cc(-c3nc(-c4nonc4N)no3)c(=O)oc12 6868064 JWWOFBXRRBYIPA-UHFFFAOYSA-N 327.256 1.484 0 40 EDAB COc1ccc2c(c1)OC1(CCN(C)CC1)CN(CC(=O)O)C2=O 12142660 IYEWRTSPOPXFGZ-UHFFFAOYSA-N 334.372 1.079 0 40 EDAB CC(C)CN1CC2(CCN(C(=O)C3CC3)CC2)[C@]2(CCN(C)C2=O)C1 2055795982 DZRUDGAPEJCMNF-HXUWFJFHSA-N 347.503 1.825 0 40 EDAB CCOc1ccccc1NC(=O)N1CC(CN2C(=O)CCC2=O)C1 1775968319 YOCRJLRXJZAEJA-UHFFFAOYSA-N 331.372 1.698 0 40 EDAB O=C(Cn1ncn2nc3c(c2c1=O)CCCC3)NCc1cccs1 206677898 XMAVHDTYNNYGRU-UHFFFAOYSA-N 343.412 1.148 0 40 EDAB O=C(Cn1ncccc1=O)NCc1cncc(-c2ccsc2)c1 206947503 XKDGWNXUVBACDA-UHFFFAOYSA-N 326.381 1.683 0 40 EDAB O=S(=O)(Cc1ccc(F)cc1)N1CCN(CC(F)(F)F)CC1 44450176 GFWGTYAATIXPSO-UHFFFAOYSA-N 340.342 1.835 0 40 EDAB O=C(Cn1cnc2ccccc21)N1CCN(CC(F)(F)F)CC1 298147402 GRFZCXFAJFGHBL-UHFFFAOYSA-N 326.322 1.743 0 40 EDAB CCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3OC)C[C@@]23C=C[C@H]1O3 229847356 RKTXWYRYYFZZSC-NNFUDEMPSA-N 343.379 1.935 0 40 EDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1nccs1 40287234 PRFYVUJXQNDPCY-UHFFFAOYSA-N 345.428 1.606 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC=C(c2ccccc2)CC1 30996892 PNUUDMCNORMNAE-UHFFFAOYSA-N 339.395 1.620 0 40 EDAB O=C(CN1CC(=O)Oc2ccccc21)OCC(=O)c1ccccc1 199670 TURNYEDEOBNEKJ-UHFFFAOYSA-N 325.320 1.838 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)[C@H](C)C(=O)NCc1ccccc1 40528416 AQTCYUNBYADMQF-CYBMUJFWSA-N 336.413 1.911 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)no1 40528886 JGAGXJZEFLHMCZ-NTZNESFSSA-N 328.434 1.791 0 40 EDAB Cc1cscc1C(=O)NCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101572188 GRBWGDPEFWHGPU-JURCDPSOSA-N 344.436 1.984 0 40 EDAB O=C(CN1CCO[C@@H]2CCCC[C@@H]21)NC(=O)NCc1cccs1 51996685 DMBDYYGJJRIRMQ-UONOGXRCSA-N 337.445 1.717 0 40 EDAB FC(F)(F)c1nnc2ccc(N3CCN(CC4CC4)CC3)nn12 52472600 OBGBBIBLHIOCOZ-UHFFFAOYSA-N 326.326 1.675 0 40 EDAB O=C1CCc2cc(S(=O)(=O)NCCCOCC3CC3)ccc2N1 32814239 RDFGWKFHMDHMKJ-UHFFFAOYSA-N 338.429 1.666 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N1CCOCC1 41247084 OHWVKHQVXLWJRT-KRWDZBQOSA-N 345.443 1.652 0 40 EDAB Cc1ccc(-n2nnn([C@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)cc1C 103002286 ZMLPWFLDFUXUJZ-YUTCNCBUSA-N 332.385 1.671 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 22186763 KHHNDUNMURAKHQ-UHFFFAOYSA-N 330.163 1.779 0 40 EDAB Cn1ccc(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1=O 42112679 YULSFBSQWGAFMP-UHFFFAOYSA-N 339.439 1.638 0 40 EDAB Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C 390372 QOOKFECIGXERRL-XRGAULLZSA-N 349.390 1.796 0 40 EDAB CC1(C)Cc2c(sc3ncn4nc(OCC(N)=O)nc4c23)CO1 12323263 SQOACCDCMNZHDP-UHFFFAOYSA-N 333.373 1.054 0 40 EDAB CC[C@H](C)N1C(=O)NC(=O)[C@@]2(Cc3cc(C)ccc3N(C)C2)C1=O 9090160 IBGOIZARVOXICO-SGTLLEGYSA-N 329.400 1.851 0 40 EDAB C[C@H](O)[C@@H](C)S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2)c1 78833383 RXMAGKPZOYHHFH-UONOGXRCSA-N 339.457 1.997 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1nnc(C2CC2)s1 61720760 RNMGNGBNUYRJSI-UHFFFAOYSA-N 345.428 1.880 0 40 EDAB Cn1nc2c(c1NC(=O)Cn1ncc3ccccc3c1=O)CSC2 61719201 JBEBSMKSOIOFEA-UHFFFAOYSA-N 341.396 1.516 0 40 EDAB O=C(CCNS(=O)(=O)c1cccc2cnccc12)N1CCCCC1 55256829 OPHJNOFOLVRFKE-UHFFFAOYSA-N 347.440 1.916 0 40 EDAB CN(Cc1ccccc1F)C(=O)CN1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 106762925 BCGNXEYMZMUWKA-COXVUDFISA-N 347.434 1.903 0 40 EDAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H](C(N)=O)C2)C1 106829762 CCNZNUJKXUFRML-BMFZPTHFSA-N 330.432 1.339 0 40 EDAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCCC(=O)N1CCCC1 25254146 ZCJQDFMYQPACSN-HNNXBMFYSA-N 343.427 1.706 0 40 EDAB C[C@H](Nc1ccc(OCC(F)(F)F)nc1)C(=O)N1CCOCC1 56156104 VEOAYGKTKIWJTP-JTQLQIEISA-N 333.310 1.682 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(C[C@@H](O)c3cccc(F)c3)C2)C1=O 107322963 UBUZGGYYYKDRJT-PBHICJAKSA-N 335.379 1.264 0 40 EDAB C[C@H](NC(=O)[C@@H](C)N1CCCN(C(N)=O)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 108078191 MVCAHSCHRMMKTH-QRJUGERDSA-N 336.480 1.402 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)C1 57348416 ASSQXJCYSRROCY-SJORKVTESA-N 343.427 1.335 0 40 EDAB C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc2c(c1)N(C)CCC2 75109930 NQUFVRJCPDGEGL-GFCCVEGCSA-N 335.433 1.028 0 40 EDAB O=C(CSc1nc(NC2CC2)c2ccccc2n1)N1CCNC1=O 9314185 NDRRDYYLMUPIOV-UHFFFAOYSA-N 343.412 1.848 0 40 EDAB CC(=O)N1CCCN(C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CC1 44890431 XYGGHQZYRVYURJ-UHFFFAOYSA-N 345.378 1.409 0 40 EDAB CCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1cnn(C)c1 44937136 WRCOCYOTHCYMER-UHFFFAOYSA-N 337.401 1.402 0 40 EDAB C[C@@H](O)CNC(=O)C1CCN([C@H](C)c2nc(-c3ccco3)no2)CC1 44951055 GLXUXLXZGLKJKU-VXGBXAGGSA-N 348.403 1.600 0 40 EDAB Cc1nc(CN2CCN(C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)cs1 44970906 QXQZXGKUDNABQC-WFASDCNBSA-N 338.477 1.846 0 40 EDAB C[C@@H]1CCCN(CCCNC(=O)c2cccnc2N2CCOCC2)C1 48231056 ZRGIKRKPDCTMTN-MRXNPFEDSA-N 346.475 1.770 0 40 EDAB CCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C 20768419 RBVYGHGQDZTQDY-UHFFFAOYSA-N 348.424 1.971 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2ccnc2)cc1 48285931 AJIHTJDFBKITMU-TZMCWYRMSA-N 348.428 1.420 0 40 EDAB COc1ccc(OC)c(-c2cc(C(=O)NCCCC(N)=O)no2)c1 58402016 ZGUVEWGHEOQTIQ-UHFFFAOYSA-N 333.344 1.354 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)NC(C)(C)C 12786072 QEKLXVZEGLDTDZ-GFCCVEGCSA-N 341.477 1.960 0 40 EDAB CN(CCCC(=O)O)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 95389881 VUZBNAMJRLVVLI-UHFFFAOYSA-N 349.362 1.627 0 40 EDAB Cc1nc(CNC(=O)NC[C@@H](O)COc2cccc(F)c2)cs1 45343714 LHFGTNVBDBGJDU-CYBMUJFWSA-N 339.392 1.830 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)CCO1 10909446 DEYNSRCYCPDZMU-NWDGAFQWSA-N 349.362 1.230 0 40 EDAB Cn1ccc(C(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)cc1=O 95408100 RSESQMSITIBNFJ-INIZCTEOSA-N 333.775 1.169 0 40 EDAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)C1CCC1 28817922 VRNIKRTTYBURSR-UHFFFAOYSA-N 340.401 1.152 0 40 EDAB CS(=O)(=O)N[C@H]1CCOC2(CCN(C(=O)C3CC=CC3)CC2)C1 108531729 PEARRXMSOCMALL-AWEZNQCLSA-N 342.461 1.042 0 40 EDAB CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2OC)n2nnnc2N1 45895984 YHNVFMGMMGKAFK-CYBMUJFWSA-N 345.359 1.542 0 40 EDAB C[C@H](CS(=O)(=O)N1CCN(Cc2ccon2)CC1)c1ccccc1 95415750 IUBRRVQNUDZUEF-OAHLLOKOSA-N 349.456 1.926 0 40 EDAB O=C(CCn1cccn1)Nc1ccc2nc(N3CCOCC3)oc2c1 95427489 SEAQKJIPZTUEIY-UHFFFAOYSA-N 341.371 1.890 0 40 EDAB O=C(OCCN1CCCCCC1=O)c1ccc(Cn2cncn2)cc1 61084473 NBLPXDKMLUAUOJ-UHFFFAOYSA-N 342.399 1.886 0 40 EDAB CC(C)(CNC1CCN(Cc2ccccn2)CC1)S(C)(=O)=O 95423587 ABDASJOANRXTKN-UHFFFAOYSA-N 325.478 1.459 0 40 EDAB Cc1cc(C)n2nc(SCC(=O)NC(=O)c3cccn3C)nc2n1 3548662 CUWAIVJITFITLY-UHFFFAOYSA-N 344.400 1.128 0 40 EDAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc[nH]c1=O 12936226 YVVXLIKKQLRUDE-UHFFFAOYSA-N 327.384 1.137 0 40 EDAB O=C(C[C@@H]1COCCN1C(=O)c1[nH]nc2c1CCCC2)c1ccco1 95418250 GQWDEZCKWWMPMR-GFCCVEGCSA-N 343.383 1.996 0 40 EDAB Cc1nc2c([nH]1)CC[C@H](C(=O)Nc1ccc3c(c1)NC(=O)CO3)C2 96003938 XOYDUCYHJWTTCL-JTQLQIEISA-N 326.356 1.793 0 40 EDAB O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc2c(c1)OCCO2 5212614 MTGXGTFPFBIEDC-UHFFFAOYSA-N 345.307 1.207 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@@H](c1ccco1)N1CCCC1 65423173 NWPYKXXUKVYISM-ZDUSSCGKSA-N 332.408 1.527 0 40 EDAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)cn1 14099417 IVQIISXCCCOUTA-UHFFFAOYSA-N 336.369 1.340 0 40 EDAB CCCc1noc([C@H](C)n2nnc(-c3ccc(C(N)=O)cc3)n2)n1 65515553 IURWODMKCXWZRU-VIFPVBQESA-N 327.348 1.384 0 40 EDAB C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(CC(=O)NC2CC2)C1=O 65530805 JXYIRXYZTDJIRR-HNNXBMFYSA-N 339.754 1.525 0 40 EDAB CC[C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 65611622 VRAYESXHASCNGI-ZDUSSCGKSA-N 342.465 1.188 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 6928265 BNVZLGICBZZLCC-RISCZKNCSA-N 342.848 1.829 0 40 EDAB CCOC(=O)c1sc2nc(CSC(=N)N)[nH]c(=O)c2c1C 5929579 XKSHBWJYCRXBDB-UHFFFAOYSA-N 326.403 1.596 0 40 EDAB Cn1ccnc1C[C@@H]1CCCN(CCn2nc3ccccn3c2=O)C1 90003519 WKAJFDXPTVITKH-HNNXBMFYSA-N 340.431 1.184 0 40 EDAB CN1CCCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1 67335871 DBHMKUMOHWUCDC-UHFFFAOYSA-N 345.428 1.568 0 40 EDAB CC(=O)NCc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1 7268854 TXISXFLUWPMPKO-UHFFFAOYSA-N 335.363 1.916 0 40 EDAB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1cccc(C(N)=O)c1 67731837 BSKCCWDOIZSELP-LBPRGKRZSA-N 335.429 1.215 0 40 EDAB COc1cccc([C@]2(C)NC(=O)N(NC(=S)NC3CC3)C2=O)c1 7679281 YMFUMVIDRLSJHC-HNNXBMFYSA-N 334.401 1.004 0 40 EDAB O=C(NC1(C(=O)NCC2CC2)CCCC1)c1[nH]nc2c1CCCC2 96454604 KDKMQRODBCITPN-UHFFFAOYSA-N 330.432 1.857 0 40 EDAB CCOC(=O)C1=C(CN(C)[C@H](C)c2ccccc2OC)NC(=O)NC1 26333797 FNBXWJGZVSEGGT-GFCCVEGCSA-N 347.415 1.818 0 40 EDAB CCNS(=O)(=O)c1ccc(C(=O)NC2CCC(O)CC2)cc1 8393750 AUJLDOLFOXGRMS-UHFFFAOYSA-N 326.418 1.018 0 40 EDAB C[C@H](NC(=O)CN1CCN(Cc2nccn2C)CC1)c1ccco1 69455692 CMFYOECBFYVZSS-AWEZNQCLSA-N 331.420 1.008 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N3C[C@H](C)OC[C@H]3C)CC2=O)cc1 69420845 VLYHZDRNIFINAP-IJEWVQPXSA-N 346.427 1.680 0 40 EDAB CC(=O)Nc1nc(CN(C)C[C@H]2CCCN2c2cccnn2)cs1 71859946 RCOZYTHHFJPCET-CQSZACIVSA-N 346.460 1.992 0 40 EDAB CCc1c(C(=O)N2CCn3c(C)nnc3C2)cnn1-c1ccccc1 69528287 LOABOJVUVJETNZ-UHFFFAOYSA-N 336.399 1.991 0 40 EDAB CN(CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCN(c2ccccc2)C1=O 69588955 ZBYPWRFSNZXCAW-CQSZACIVSA-N 346.431 1.348 0 40 EDAB C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H](N2CCNC2=O)C1 71830617 XLJMJOFKYYKGDY-HOCLYGCPSA-N 331.416 1.608 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@H]1C 71864760 LCQWOVSSWQFIJE-OLZOCXBDSA-N 340.855 1.715 0 40 EDAB CN(Cc1ccccc1)C[C@H](O)CN1CCC[C@H](Cn2cncn2)C1 69698056 CMQKMFMJZOSTBE-OALUTQOASA-N 343.475 1.483 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CN1C(=O)NC(C)(C)C1=O 71870311 WOEHCJMAIYKWKT-LBPRGKRZSA-N 347.419 1.031 0 40 EDAB C[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(C(=O)c2cnccn2)CC1 71903552 DINDJEJNULSAFA-HOCLYGCPSA-N 346.431 1.356 0 40 EDAB CN(CC(=O)N1CCO[C@@H](c2ccccc2Cl)C1)S(C)(=O)=O 69897517 LYDVSBSGWMKQBC-CYBMUJFWSA-N 346.836 1.131 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)c2ccc3[nH]cnc3c2)CC1 69876835 ZPHSRJIYGAUQJS-UHFFFAOYSA-N 338.415 1.645 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 71963227 NKWWOKYKAZUUNH-SECBINFHSA-N 344.343 1.093 0 40 EDAB C[C@H](CS(C)(=O)=O)NC(=O)c1cnn(-c2cccc(Cl)c2)c1 69949113 ZAYMTHRIGABHCD-SNVBAGLBSA-N 341.820 1.689 0 40 EDAB COCCN1CCN(CCc2nc3ccccc3c(=O)[nH]2)C[C@@H]1C 69972858 RFDWQMRZKSWCHL-AWEZNQCLSA-N 330.432 1.118 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(F)cc2Br)CC1 69902260 YQZWTCOLJUXEBK-JTQLQIEISA-N 345.212 1.727 0 40 EDAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)no1 8776706 GALVNQLKQFHJCI-LBPRGKRZSA-N 327.344 1.820 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(CCOc3ccc(F)cc3)CCO2)n1 72253418 HDRJAIUJEXYYSR-QGZVFWFLSA-N 334.395 1.814 0 40 EDAB CCN1CCO[C@@H](CN2CCN(CCOc3ccc(C)cc3)CC2)C1 72279895 QFWVEWLVULGLNS-HXUWFJFHSA-N 347.503 1.712 0 40 EDAB O=C(NCC(=O)N1CCOCC12CCC2)c1c(F)cccc1Cl 97162763 PVXPFUXOBANDBV-UHFFFAOYSA-N 340.782 1.990 0 40 EDAB Cc1nnc2n1C[C@H](NCc1ccc(OCCN(C)C)cc1)CC2 97199400 KAQSSFGAXAICCX-MRXNPFEDSA-N 329.448 1.632 0 40 EDAB COc1ccc2nnc(CCCC(=O)N[C@H]3CCOC(C)(C)C3)n2n1 72404587 DFACPZFPQBNFEL-LBPRGKRZSA-N 347.419 1.529 0 40 EDAB O=C(NC1CCN([C@H]2Cc3ccccc3[C@H]2O)CC1)c1ccc[nH]1 95987336 KEYTWSTUGGKGLJ-ZWKOTPCHSA-N 325.412 1.867 0 40 EDAB O=C(NC[C@H](O)COCC1CC1)c1cccnc1NC1CCCC1 95963470 NDKDICNCGXUHLA-HNNXBMFYSA-N 333.432 1.953 0 40 EDAB CN1CCC[C@H](N(C)C(=O)COc2ccc3ccc(=O)oc3c2)C1 76022263 DSMLBPCJDJRMNM-AWEZNQCLSA-N 330.384 1.724 0 40 EDAB CN(C)C[C@@H]1C[C@@H]2CN(Cc3cnn(C)c3)CC[C@@H]2N1CC1CC1 306138019 RMXQYHQENKHFSM-QYZOEREBSA-N 331.508 1.657 0 40 EDAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)O 547554998 WMBLRLDYORPAIG-ZYHUDNBSSA-N 347.820 1.807 0 40 EDAB COC[C@H](O)CNS(=O)(=O)c1ccc2oc3ccccc3c2c1 554927733 AGIITTKELAVDKK-LLVKDONJSA-N 335.381 1.872 0 40 EDAB O=C(c1cnccn1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38729436 IPOCLTMZBVGFNT-HZPDHXFCSA-N 336.395 1.565 0 40 EDAB C[C@@]1(NC(=O)C[C@@H]2CCCO2)CCN(C(=O)c2cnc3n2CCC3)C1 1536757132 CFFFNJDWCLPRAP-SCLBCKFNSA-N 346.431 1.119 0 40 EDAB O=C(O)c1ccc(CN2CCOCC2)c(I)c1 39951834 OUYSDHPSLQGXPM-UHFFFAOYSA-N 347.152 1.822 0 40 EDAB C[C@@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1cccs1 72389610 NQWVWPVTKSPWFM-NSHDSACASA-N 329.385 1.309 0 40 EDAB O=C(NC1CC1)c1cc(N2CCCO[C@@H](CN3CCCC3)C2)ccn1 71662062 ZUZYSJTWPLWZLQ-KRWDZBQOSA-N 344.459 1.665 0 40 EDAB CCCNC(=O)[C@H](CCSC)NC(=O)[C@@H]1Cc2ccccc2CN1 35485349 NRCBUUZKKUUOGR-HOTGVXAUSA-N 349.500 1.465 0 40 EDAB C[S@](=O)CCNCc1cc(-c2ccc(F)cc2)cn2nnnc12 72392377 PSSZVGANRAEXSH-HSZRJFAPSA-N 333.392 1.399 0 40 EDAB O=C(Cn1cncn1)NCC1(c2ccccc2Br)CC1 78171652 AWQDSEPGTMEEPY-UHFFFAOYSA-N 335.205 1.889 0 40 EDAB CC(C)Oc1cc(C(=O)NCC(=O)N2CCOCC2)cc2occc12 71195355 ZZAGDOAFCWUXKN-UHFFFAOYSA-N 346.383 1.809 0 40 EDAB O=C(COc1ccc(Cl)cc1)Nc1cnc(N2CCOCC2)nc1 75161821 RRZLDBMIBSTNBO-UHFFFAOYSA-N 348.790 1.984 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@]2(CC(=O)O)CCOC2)c(C)c1 563952650 OXTAHGYFAVPYOQ-HNNXBMFYSA-N 343.401 1.306 0 40 EDAB Cc1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)ccc1N1CCCC1=O 40485577 UQIJZIGTNKCQSF-LBPRGKRZSA-N 336.413 1.495 0 40 EDAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2cc(C(N)=O)[nH]n2)c1 225555368 DHLWZNSESGBPTA-MRXNPFEDSA-N 342.399 1.814 0 40 EDAB COCCCNC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccco1)CC2=O 49549003 POAFXPXFXKKSIP-NSHDSACASA-N 344.367 1.647 0 40 EDAB COc1ccccc1CNC(=O)c1c(O)c2cccnc2[nH]c1=O 49411691 CUYFTIYEWMPWRU-UHFFFAOYSA-N 325.324 1.567 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCCN(C(=O)[C@H]2CCCOC2)CC1 96451564 CWNIFNVEGGQZRO-INIZCTEOSA-N 348.418 1.856 0 40 EDAB C[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 96432079 QMMWTHMYECFJEH-ZIAGYGMSSA-N 347.440 1.874 0 40 EDAB CN(C)S(=O)(=O)N1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 96109259 RSMPIRMIMLWJDR-CVEARBPZSA-N 339.461 1.507 0 40 EDAB CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)c1nc(C(=O)O)co1 583443363 KFKQHZMIHFURIF-RYUDHWBXSA-N 337.355 1.155 0 40 EDAB CS(=O)(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)OC[C@H](CO)O1 96531644 CHALPEGBYOFTPV-ZWKOTPCHSA-N 348.420 1.959 0 40 EDAB CN(C)CCN1C(=O)CC[C@@]12CCCN(C(=O)c1ccc[nH]1)CC2 96217748 IFDMVMYIXIQSKG-GOSISDBHSA-N 332.448 1.564 0 40 EDAB CN(C)Cc1cccc(NC(=O)NC[C@@H]2CN(C3CC3)CCO2)c1 91623224 YZCWMPUJIMNNLY-QGZVFWFLSA-N 332.448 1.733 0 40 EDAB CCN(CCNC(=O)c1cccc(N2CCNC2=O)c1C)C(C)C 96426516 RSRDMJASGVUFEK-UHFFFAOYSA-N 332.448 1.985 0 40 EDAB CNS(=O)(=O)NC1CCN(C(=O)c2ccc(C)cc2Cl)CC1 583687715 KUGYRIGIMIAZHO-UHFFFAOYSA-N 345.852 1.307 0 40 EDAB O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 583620371 BNOSERNNICRGET-BZUAXINKSA-N 342.399 1.474 0 40 EDAB C[C@@H](C(=O)NCCc1cccs1)N(C)C[C@@H]1CCS(=O)(=O)C1 96419656 ORNPNXBXAKSFBA-STQMWFEESA-N 344.502 1.162 0 40 EDAB CN(C)C(=O)CO[C@H]1CN(Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 96187055 GDAHTEIDXYZCAZ-RYRKJORJSA-N 336.407 1.662 0 40 EDAB O=C(c1cccnc1)N1CCC2(CC[C@@H](C(=O)N3CCCC3)O2)CC1 96061251 FWTZUDVZOKYFCB-INIZCTEOSA-N 343.427 1.858 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@@H]21)c1ccno1 97953473 QZDPUCZJQRSYDQ-BJJXKVORSA-N 331.372 1.677 0 40 EDAB Cn1cc([C@H]2CN(C(=O)NCCOC3CCCCC3)CCO2)cn1 333235658 HNYBZPQXRVSXPZ-MRXNPFEDSA-N 336.436 1.852 0 40 EDAB Cc1ccc(N2CCCC2)c(C(=O)N[C@H]2CCCS(=O)(=O)C2)c1 96408467 OVIDUOAECBJIED-AWEZNQCLSA-N 336.457 1.902 0 40 EDAB Cc1nc(C)n(C[C@@H]2CC[C@]3(COCCN(C(=O)CC4CC4)C3)O2)n1 96063522 HNXBAQUJVUJYGK-WMZOPIPTSA-N 348.447 1.472 0 40 EDAB CN1C(=O)CS/C1=C\C(=O)N1CCO[C@@](C)(c2ccccc2)C1 585131618 AQUCZZGCRPSTLK-LPPOOGIUSA-N 332.425 1.807 0 40 EDAB COC(=O)C[C@H](NC(C)=O)C(=O)N1[C@H]2CCC[C@H]1CC(F)(F)C2 585112951 JYJQKJJQWGWMCT-SRVKXCTJSA-N 332.347 1.233 0 40 EDAB CN(Cc1ccccn1)C(=O)CN1CCN(c2ccccn2)CC1 96427154 HZQHPKYWWGHKJU-UHFFFAOYSA-N 325.416 1.257 0 40 EDAB CCCC(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2C(N)=O)C1 585113391 ZDTIILRIWMDTFN-LLVKDONJSA-N 335.379 1.902 0 40 EDAB Cc1ccccc1O[C@H](C)CNC(=O)NC[C@@H]1CN(C)CCN1C 96440108 IRRKYXKDCHQBRL-HZPDHXFCSA-N 334.464 1.307 0 40 EDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(CCc2ccccc2)C1)N1CCCO1 96041266 RIWJSDZYEVSLON-RCCFBDPRSA-N 330.428 1.872 0 40 EDAB O=C1CC[C@@H]2CN(S(=O)(=O)CC3CCC3)CC[C@H]2N1C1CC1 96492888 HQSKAWDWABWHMD-UKRRQHHQSA-N 326.462 1.592 0 40 EDAB Cn1cnc2c1[C@@H](C(=O)N1CC=CC1)CN(CCc1ccccc1)C2 248055688 SIKAFHXLBHTHGR-KRWDZBQOSA-N 336.439 1.960 0 40 EDAB COC[C@H]1CCS(=O)(=O)C12CN(Cc1ccccc1Cl)C2 247898045 VGZVLLSTLDDSRJ-CYBMUJFWSA-N 329.849 1.976 0 40 EDAB CCOC[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1c1cnn(C)c1 585655503 VPFXMPTZOMECRJ-STQMWFEESA-N 327.392 1.343 0 40 EDAB CCc1cncc(C(=O)N2C[C@@H](COC)[C@H](c3cnn(C)c3)C2)c1 585655688 FERFPWYFJYELLN-IRXDYDNUSA-N 328.416 1.880 0 40 EDAB CCc1cc(C(=O)NCc2cncc([C@H]3CCCN3C(C)=O)n2)on1 257340707 ZHGBKLHAROMCHZ-OAHLLOKOSA-N 343.387 1.640 0 40 EDAB CCCn1cc(CN2CCO[C@@H](c3ncc(CN(C)C)[nH]3)C2)cn1 257224931 FDZZFECISDJBBH-MRXNPFEDSA-N 332.452 1.651 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 257252251 JUDBWSFXBVRDEX-HNNXBMFYSA-N 333.413 1.856 0 40 EDAB CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)C3CCC3)ccnc12 257307296 SYBLAUDBOYCPQL-AWEZNQCLSA-N 341.415 1.943 0 40 EDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(CC2CCOCC2)C3)n1 253480069 USZWMPVPEWAKLY-MRXNPFEDSA-N 333.432 1.824 0 40 EDAB CN(C(=O)c1ccc2c(c1)ncn2C)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257243540 IHLIEYOECHMMGS-BRWVUGGUSA-N 339.399 1.606 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(F)c2F)C1 69706513 WYRXMZJVELQFTG-NSHDSACASA-N 341.358 1.130 0 40 EDAB O=C1NCCN(C(=O)[C@H]2CC[C@H](C(=O)O)CC2)[C@@H]1c1ccccc1 262705347 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COC(=O)c1c(C)[nH]c(C(=O)CN2CCCC[C@@H]2C(=O)OC)c1C 27561472 BXAXFFJDZDXBCZ-GFCCVEGCSA-N 336.388 1.628 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)COCC3CC3)CC2)n1 69493055 IHKGNECDENYZHG-UHFFFAOYSA-N 334.420 1.259 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCC(Nc2cccnn2)CC1)C1CCCC1 69655368 VQPUZCXRPNWMGY-KRWDZBQOSA-N 345.447 1.574 0 40 EDAB CCOC(=O)N[C@H](C(=O)Nc1ccn(-c2ccncc2)n1)C(C)C 72877592 METXJAPJGNAKQS-AWEZNQCLSA-N 331.376 1.977 0 40 EDAB O=C(NCC1CCN(c2ncccn2)CC1)c1cc(C2CC2)on1 75170346 WNZKLAQWLSSHNG-UHFFFAOYSA-N 327.388 1.988 0 40 EDAB COc1ccccc1CN1CCN(C(=O)NCCn2ccnc2)CC1 76546325 XCEOYHWZNPQLBB-UHFFFAOYSA-N 343.431 1.419 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)c2cccc3cc[nH]c23)CC1 96430799 CMQFSADIPFKZKW-UHFFFAOYSA-N 335.429 1.569 0 40 EDAB CC1(C)S[C@@H]2[C@H](NC(=O)NC3CCCCC3)C(=O)N2[C@H]1C(=O)O 5415549 YGYNBLXWUDRFHI-JFGNBEQYSA-N 341.433 1.134 0 40 EDAB O=S(=O)(NCc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 11615653 GARFTDZVMGBAPQ-UHFFFAOYSA-N 345.380 1.813 0 40 EDAB Cc1nc2cc([C@H]3CCCN3C(=O)c3cnccn3)nn2c(O)c1C 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KPTVRISMRVOLQZ-HUUCEWRRSA-N 347.378 1.351 0 40 EDAB O=C([C@@H]1CN(c2nccc3sccc23)CCO1)N1CCOCC1 1889114104 GWMMXRWPJFLLOQ-ZDUSSCGKSA-N 333.413 1.360 0 40 EDAB Cc1cncc(CN2CCO[C@@]3(COCC(=O)N(C(C)C)C3)C2)c1 2037981169 XUKPVIFYXCDPBV-SFHVURJKSA-N 333.432 1.228 0 40 EDAB COc1ccccc1C(=O)N1CCO[C@@]2(CCCCN(C)C2=O)C1 2037985787 WFGOYLICYGNTNV-SFHVURJKSA-N 332.400 1.549 0 40 EDAB COc1cnc(O[C@H]2CCN(Cc3nnc([C@@H]4CCOC4)o3)C2)nc1 2086968362 GUHKDMPUIZSRRA-NEPJUHHUSA-N 347.375 1.025 0 40 EDAB CCOc1ccc(N(C(=O)COC)[C@H]2C=CS(=O)(=O)C2)cc1 4165350 ROBPTERLBPGPOV-ZDUSSCGKSA-N 325.386 1.375 0 40 EDAB COCCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC 7458517 DYNUDDVGXIWCHM-UHFFFAOYSA-N 335.335 1.147 0 40 EDAB COc1cnc(C(=O)N2CCC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)nc1 2055834950 HFSTZXNROHCQHE-RDTXWAMCSA-N 347.415 1.676 0 40 EDAB CCN1CCN(C(=O)NCc2cc(-c3ccoc3)cs2)C(=O)C1=O 1775970058 ZGFYYVHOSMPQQZ-UHFFFAOYSA-N 347.396 1.908 0 40 EDAB COc1ncc(NS(=O)(=O)Cc2cc(F)cc(F)c2)c(OC)n1 585437334 UPLLYUFPXCZAJD-UHFFFAOYSA-N 345.327 1.714 0 40 EDAB CCOc1ncccc1CNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 30309258 HCGSTMHRIPASNV-KBPBESRZSA-N 345.399 1.272 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)c1cccc(N2CCCS2(=O)=O)c1 31230149 QDHVSONJBRYAHN-CYBMUJFWSA-N 348.428 1.242 0 40 EDAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N[C@@H]1CCS(=O)(=O)C1 31612050 GVCNBGNWKILMOJ-PSKZRQQASA-N 331.397 1.189 0 40 EDAB Cc1nc(NC(=O)Cc2c(C)noc2C)sc1SCC(N)=O 31798777 YPYOGONTUBVIRO-UHFFFAOYSA-N 340.430 1.815 0 40 EDAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 40540106 LVLOKLWYLDWRFU-CABCVRRESA-N 333.367 1.200 0 40 EDAB CC1(C)Cc2cccc(OCCC(=O)N[C@H]3CCCCNC3=O)c2O1 40522211 WGOORMVGERLGFY-AWEZNQCLSA-N 346.427 1.954 0 40 EDAB Cc1ccc(-n2nc(C)c(C(=O)N3CC[C@@H](C(N)=O)C3)n2)c(C)c1 41128270 VWTBXMGMFJUACR-CYBMUJFWSA-N 327.388 1.140 0 40 EDAB COc1ccc([C@H](O)CN2CCN(C(=O)c3ccco3)CC2)cc1F 52798511 BIXOCFUPQLYRIS-OAHLLOKOSA-N 348.374 1.919 0 40 EDAB Cc1ccc(-c2nc(C(=O)NCC3(C(N)=O)CCOCC3)cs2)o1 52744820 ANJYRSVPKJBQAF-UHFFFAOYSA-N 349.412 1.723 0 40 EDAB Cc1nc2ccccc2c(=O)n1CCCC(=O)NC[C@H]1CCOC1 41366655 UORCJKKPVYYNEM-CQSZACIVSA-N 329.400 1.638 0 40 EDAB COc1ccc(-c2noc(CCC(=O)NC[C@H]3CCOC3)n2)cc1 41369790 BFJFLHPQQAEENB-GFCCVEGCSA-N 331.372 1.831 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@@H]1CCCO1 22620808 SEJOQURYNGSJGC-HNNXBMFYSA-N 327.384 1.967 0 40 EDAB O=C(NCCc1ccccn1)c1nc(N2CCOCC2)ncc1Cl 42127762 GVGXGDFJWVVYPB-UHFFFAOYSA-N 347.806 1.334 0 40 EDAB Cc1noc(CNC(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n1 77818087 WPRMFNHHYZFQNM-UHFFFAOYSA-N 346.240 1.791 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)N(C)Cc3ccco3)CCO2)n1 78879678 XEZWFWHBICCUDJ-FZMZJTMJSA-N 333.392 1.127 0 40 EDAB O[C@@H](CN1CCO[C@@H](CNc2cccnn2)C1)c1ccc(F)cc1 78893606 VWKBVPXYMQXVQN-HOTGVXAUSA-N 332.379 1.462 0 40 EDAB c1cnc(N2CCOC3(CCC3)C2)c(N2CCOC3(CCC3)C2)n1 104431308 YBKCYHCONVHBOR-UHFFFAOYSA-N 330.432 1.995 0 40 EDAB CN(C)c1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)ccn1 78986791 JCGBJGDVNLBCGU-SNVBAGLBSA-N 330.310 1.041 0 40 EDAB CC(C)(CNc1ccnc(C(=O)NCc2ccccc2)c1)C(N)=O 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40 EDAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCC2(CC1)OCCO2 24997890 RCRXCEKCLOJZID-HNNXBMFYSA-N 344.411 1.943 0 40 EDAB C[C@H]1CO[C@H](C)CN1CC(=O)Nc1ccccc1N1CCOCC1 106623627 QNVSCXVHLGWSBV-LSDHHAIUSA-N 333.432 1.571 0 40 EDAB C[C@H](NC(=O)[C@H](c1ccccc1)N1CCN(C)CC1)[C@@H]1CCCO1 106651669 YHIHJJJYLYKFFF-SZMVWBNQSA-N 331.460 1.659 0 40 EDAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)NC2CCCC2)nc1N 12557355 MUEAYGMBPGVRBZ-VIFPVBQESA-N 338.433 1.775 0 40 EDAB COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-n1cnnn1 1423895 BFNQLXMBVFBJMJ-UHFFFAOYSA-N 337.405 1.282 0 40 EDAB NC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2ccc(F)cc2)CC1 25360979 GJYXMJSYHJKXJD-INIZCTEOSA-N 333.407 1.687 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(C(F)(F)F)n1N 3287581 FBUVNHCCMCCLQI-OCAPTIKFSA-N 337.371 1.892 0 40 EDAB CC(=O)NCCC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 57375862 XBCOCAHAFFMKKN-UHFFFAOYSA-N 344.459 1.683 0 40 EDAB Cn1nc(C(=O)NCc2cccs2)cc1OCC(=O)N1CCCC1 57312714 IFODNKOADMFKOF-UHFFFAOYSA-N 348.428 1.413 0 40 EDAB Cc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCN2CCCC2)C3)cc1 57531457 IYWIDFXEYSPBRC-KRWDZBQOSA-N 340.427 1.541 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)nc2c1c(C)nn2C 58048057 SKXMBNXFORYXFW-SKDRFNHKSA-N 331.420 1.618 0 40 EDAB Cc1ccc(NC(=O)CCNC(=O)c2cnc3onc(C)c3c2)nc1 58160281 HVIHDUDJZBSTKU-UHFFFAOYSA-N 339.355 1.993 0 40 EDAB CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1cccc3c1OCCO3)CCO2 107720510 NQVLJYYBYGNZPV-UNEWFSDZSA-N 333.384 1.866 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)C1=NO[C@@H](c2ccccc2)C1 58282286 CYDCKPBSAQOTGH-DOTOQJQBSA-N 337.379 1.717 0 40 EDAB COc1cccc(CNC(=O)[C@H](C)S(=O)(=O)C[C@H]2CCCO2)c1 44909264 RDEWPLJYASLMTN-SWLSCSKDSA-N 341.429 1.294 0 40 EDAB C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1ccc(Cl)cc1 48275558 OORDSVLLZKWKHL-NSHDSACASA-N 347.868 1.982 0 40 EDAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)NOC)nnc12 10394094 DCYKGCRIPWTASM-UHFFFAOYSA-N 347.400 1.224 0 40 EDAB CNC(=O)Cc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 102716926 VXKKPJWLPGERAE-MRXNPFEDSA-N 328.416 1.453 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC(CN2CCOCC2)CC1 36103477 AVRAVJSGBUCJHK-UHFFFAOYSA-N 332.400 1.600 0 40 EDAB Cc1ccc(OC[C@@H](O)Cn2nc(C)c3c(C)onc3c2=O)cc1 58332815 PPINTWURWHMCRY-ZDUSSCGKSA-N 329.356 1.750 0 40 EDAB COC(=O)c1ccc(N2CCN(CCS(C)(=O)=O)[C@@H](C)C2)cc1 58356760 BHYHKJGMYZFADY-ZDUSSCGKSA-N 340.445 1.028 0 40 EDAB COc1ccc(CN2CCCN(CCCC(=O)NC(N)=O)CC2)cc1 58330611 XZIOYZGXHMRYIF-UHFFFAOYSA-N 348.447 1.178 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)c2cc(=O)[nH]c3ccccc23)C1 28014156 KOQKUIDQZVRXRR-AWEZNQCLSA-N 343.427 1.615 0 40 EDAB O=C(NO[C@@H]1CCCCO1)[C@H]1CCCN(C(=O)N2CCCC2)C1 58419874 XZYZSMOBXBCELJ-UONOGXRCSA-N 325.409 1.489 0 40 EDAB COc1cc2c(cc1OC)-c1cc(Nc3ncn[nH]3)nc(=O)n1CC2 2203372 QFWNFPDMIWXIPK-UHFFFAOYSA-N 340.343 1.345 0 40 EDAB O=C(C1=NO[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12)c1ccccc1 100354748 KWDINHNINGTWLA-CJNGLKHVSA-N 338.294 1.953 0 40 EDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccon2)C1=O 11380379 ZJNWLNLFFCQVGQ-MRXNPFEDSA-N 346.318 1.610 0 40 EDAB C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccccc1Cl 48303525 LFECPSSHJPEROA-JTQLQIEISA-N 335.795 1.511 0 40 EDAB CC(C)c1ccc(CN2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1 60459601 KOFYCRURJRNCME-KRWDZBQOSA-N 329.444 1.733 0 40 EDAB COCCN1C(=O)S/C(=C/c2ccc(OCC(=O)O)cc2)C1=O 409128865 LBSJSUCXWQZKPZ-XYOKQWHBSA-N 337.353 1.833 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)Nn2cnc3ccccc32)c1 13001545 BZUYHSXSUPKWSP-UHFFFAOYSA-N 330.369 1.328 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCc2nc3ccccc3[nH]2)ccc1F 13246772 UFRMWNMMRSLNAM-UHFFFAOYSA-N 349.343 1.879 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCCN2CCCC2)ccc1Cl 13311594 ZKTUOTYWIHZZJG-UHFFFAOYSA-N 332.809 1.412 0 40 EDAB O=C(COC(=O)c1cccc2c1OCCO2)c1ccc(O)cc1O 64170013 BRUMOWLLNCZNGQ-UHFFFAOYSA-N 330.292 1.909 0 40 EDAB Cn1cnn(CC(=O)Nc2cc(-c3ccc4c(c3)CCC4)no2)c1=O 96004795 CQGMPTYHCWZUEZ-UHFFFAOYSA-N 339.355 1.364 0 40 EDAB CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 96007668 ZEEXTVZGBJBMGB-JTQLQIEISA-N 337.367 1.721 0 40 EDAB c1ccc2nc(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)cnc2c1 39555100 DXIQPUFRSCXEOV-YOEHRIQHSA-N 328.416 1.779 0 40 EDAB COC(=O)c1ccc(NC(=O)COC(=O)c2c(C)noc2C)cc1 5198233 BUBKBESIZVGFCF-UHFFFAOYSA-N 332.312 1.874 0 40 EDAB Cc1noc2ncc(C(=O)N3CCCN(C[C@H]4CCCO4)CC3)cc12 65379311 OKWNEYUDCFFAJR-OAHLLOKOSA-N 344.415 1.858 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNC[C@H](O)COc1cccc(F)c1 65474772 HELHGXDTKWUWLX-AWEZNQCLSA-N 336.411 1.463 0 40 EDAB O=C(CCc1nc(-c2ccccn2)no1)N[C@@H]1CCc2nccn2C1 65463231 QZTFATGPYQIROS-GFCCVEGCSA-N 338.371 1.392 0 40 EDAB COC[C@H](O)CN(C)C(=O)NCc1c(C)nn(-c2ccccc2)c1C 65440791 QTRTYJIJMCCPCJ-MRXNPFEDSA-N 346.431 1.638 0 40 EDAB CC[C@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccc(C)c(F)c1 71405367 VERPXTHGWBCXNF-JTQLQIEISA-N 338.364 1.827 0 40 EDAB Cc1ccc(-n2cnnn2)cc1NC(=O)NCCCOCC1CC1 65585060 VSBVWLPHACEHQJ-UHFFFAOYSA-N 330.392 1.909 0 40 EDAB CC[S@](=O)c1ccccc1C(=O)N(C)Cc1nnc2n1CCC2 65554271 YNXCYNSVIHRXGC-HSZRJFAPSA-N 332.429 1.624 0 40 EDAB O=C(NCc1cn2ccccc2n1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 65564096 SREXOWCLHNHELB-SNVBAGLBSA-N 340.305 1.361 0 40 EDAB Cc1cc(C)c(CNC(=O)c2cnn(-c3ccccn3)c2C)c(=O)[nH]1 65522586 MONNOGUKNWORGI-UHFFFAOYSA-N 337.383 1.811 0 40 EDAB CCc1ccc(CNC(=O)Cc2ccc(S(N)(=O)=O)cc2)s1 65594195 QWHHYALSDHOIHQ-UHFFFAOYSA-N 338.454 1.817 0 40 EDAB NC(=O)c1ccsc1NC(=O)CN1CCN(c2ccccn2)CC1 6552599 BWDOEJJQMSNPEE-UHFFFAOYSA-N 345.428 1.003 0 40 EDAB CCC(C)(C)NCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C 9336735 CXWCPOOJTLXHQZ-UHFFFAOYSA-N 341.477 1.962 0 40 EDAB CC(C)[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NC(N)=O 5677570 CXFAUCHMUVHIER-SNVBAGLBSA-N 337.380 1.922 0 40 EDAB CCOC(=O)c1sc2nc(SCC(N)=O)nc(N)c2c1C 6719372 HCTPPDRCDRGIES-UHFFFAOYSA-N 326.403 1.336 0 40 EDAB COc1cc(Cl)c(C)cc1NC(=O)CC[C@H]1NC(=O)NC1=O 9315604 VDBVLUCYKTTWSK-SECBINFHSA-N 325.752 1.584 0 40 EDAB Cc1ccc(-c2nsc(C(=O)NCCN3CCOCC3)c2N)cc1 62007057 FREXJHDBKKCJEV-UHFFFAOYSA-N 346.456 1.763 0 40 EDAB C[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1COc2ccccc2O1 9836367 RZKHSLQSRPHFHQ-NWDGAFQWSA-N 346.408 1.823 0 40 EDAB CCNC(=O)COc1ccc(CNC[C@@H](O)CN2CCCCC2)cc1 71792550 HOJHNNODMLBAPU-QGZVFWFLSA-N 349.475 1.138 0 40 EDAB O=C(NCc1ccncc1)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858500 KYLPECHOHQGIQK-UHFFFAOYSA-N 345.380 1.078 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)S(=O)(=O)Cc1ccccc1F 96453026 ODBWURORSSAESI-UHFFFAOYSA-N 338.408 1.793 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@H](C)N2CCOCC2)n1 71865596 UJYMFIXNRSDDBH-IRXDYDNUSA-N 334.464 1.602 0 40 EDAB NC(=O)[C@@H](CNC(=O)c1n[nH]c2ccccc12)Cc1ccc(F)cc1 71826903 MNEWJPVFGLBHJC-GFCCVEGCSA-N 340.358 1.776 0 40 EDAB C[C@H](c1ccncc1)N(C)C(=O)CN(C)S(=O)(=O)c1ccccc1 70037515 HUEKNBFKMYQRDZ-CQSZACIVSA-N 347.440 1.922 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](NC[C@H](O)COCc1ccccc1)CC2 70037370 PGYFKFAOYBVTFO-SJORKVTESA-N 344.459 1.884 0 40 EDAB CC(=O)N1CCN(CCNC(=O)[C@H]2C[C@H]2c2cccc(C)c2)CC1 69372607 WPKPAHYEOADFQA-ROUUACIJSA-N 329.444 1.379 0 40 EDAB Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1C[C@@H](C)C[C@@H](C)C1 69323208 UULHAUHEMMSOEP-PHIMTYICSA-N 330.432 1.925 0 40 EDAB CN(Cc1ccsc1)C(=O)CN1CCO[C@H](Cn2cccn2)C1 69386537 OMCKDCVAXUKHHG-HNNXBMFYSA-N 334.445 1.304 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)CC(=O)NCc3ccco3)C2)no1 71870490 STHJDJGJFCKQQG-CQSZACIVSA-N 347.419 1.184 0 40 EDAB COc1cc(C(=O)OCC(=O)N2CCNC2=O)cc(Cl)c1OC 8344703 ZFSWYFMPNPJLTJ-UHFFFAOYSA-N 342.735 1.066 0 40 EDAB COc1ccc(NC(=O)CC[C@@H]2CCCCO2)cc1S(N)(=O)=O 71894579 ANXSYKXHIRSYPX-LBPRGKRZSA-N 342.417 1.630 0 40 EDAB C[C@H]1CN(Cc2ccn(-c3cccc(F)c3)n2)CCN1C[C@@H](C)O 71864614 JSKALXWWXDUSMD-LSDHHAIUSA-N 332.423 1.898 0 40 EDAB CN1CCN(C(=O)CC2CCN(CCc3ccncc3)CC2)CC1 71897207 UYDBZPFNIWLDKF-UHFFFAOYSA-N 330.476 1.500 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCCC[C@@H]2Cn2cc(C)cn2)cn1 71866169 YJSIKJUITSFJFW-OAHLLOKOSA-N 341.415 1.641 0 40 EDAB COc1ccc(NC(=O)N2CCN(C[C@H]3CCCCN3C)CC2)cn1 69587056 JPFZHLJMABBSQH-MRXNPFEDSA-N 347.463 1.724 0 40 EDAB CC1(C)CN([C@@H](CNS(N)(=O)=O)c2ccc(Cl)cc2)CCO1 69628789 JBYXYZRHSDHGNV-ZDUSSCGKSA-N 347.868 1.285 0 40 EDAB O=C(CC1CCCC1)NCCNC(=O)c1ccccc1-n1cnnn1 69739062 RGERVVVFANRROR-UHFFFAOYSA-N 342.403 1.089 0 40 EDAB COc1ccc(NC(=O)c2cnc(C)cn2)c(C(=O)NC2CC2)c1 69702537 BXSBHSWSIVEMTQ-UHFFFAOYSA-N 326.356 1.938 0 40 EDAB CCN(C)c1ccccc1CNC(=O)CSc1nnnn1C1CC1 69774004 MGLJELRCGSZPNB-UHFFFAOYSA-N 346.460 1.873 0 40 EDAB CCCN(Cc1cnn(C)c1)S(=O)(=O)c1c(C)nn(C)c1C 69702298 WIQMIOABLJCTIL-UHFFFAOYSA-N 325.438 1.371 0 40 EDAB C[C@](O)(CN1CCN(c2ccc3nncn3n2)CC1)c1ccccc1 69878711 JYPLZHWRGQPKGX-SFHVURJKSA-N 338.415 1.154 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N[C@H]3CCCc4ccccc43)cnc21 8849660 GMZQCSNRKPMPIB-HNNXBMFYSA-N 337.383 1.324 0 40 EDAB COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1 97063814 OJKGDWXBGAEQJW-SCZZXKLOSA-N 333.793 1.880 0 40 EDAB CC[S@@](=O)CCNC(=O)c1cc(Cl)c2c(c1)OCCCO2 72283736 OXJKMAQXZCMDGG-NRFANRHFSA-N 331.821 2.000 0 40 EDAB C[C@@H](Sc1nnnn1C1CC1)C(=O)NCC1(O)CCCCCC1 72288710 VXUSGTGPAGEETQ-LLVKDONJSA-N 339.465 1.690 0 40 EDAB CCCc1cc(C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)[nH]n1 72295900 DHQLKAIVDJIXMR-UHFFFAOYSA-N 348.428 1.473 0 40 EDAB Cn1cc([C@@H](CO)NS(=O)(=O)c2c(F)cccc2Cl)cn1 97147213 VYADEMGNXZNJNB-LLVKDONJSA-N 333.772 1.225 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N[C@@H]1CCc2nccn2C1 97197909 QDHKRINKUIUJOC-GFCCVEGCSA-N 325.434 1.062 0 40 EDAB Cc1cc(CS(=O)(=O)NC[C@@H](c2cccc(F)c2)N(C)C)no1 95394569 ISMZIZRBPHQONY-HNNXBMFYSA-N 341.408 1.844 0 40 EDAB COC[C@H](C)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 72305153 QRFUAYOQBNVJSQ-JSGCOSHPSA-N 330.425 1.603 0 40 EDAB NS(=O)(=O)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 95389793 MMVBWOUAMRVDAC-UHFFFAOYSA-N 348.380 1.134 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H]3Cc4ccccc4O3)CCO2)n1 84630827 LARXYWVLBZEZHP-GJZGRUSLSA-N 342.399 1.832 0 40 EDAB O=C(NCCc1nnc(-c2ccccc2)o1)N[C@H]1CCCC[C@@H]1O 95431861 TVQYTSMCINWKGB-KBPBESRZSA-N 330.388 1.882 0 40 EDAB Cc1nonc1C(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 95438366 YPUVAFYNKBFEHC-HZPDHXFCSA-N 349.479 1.787 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N[C@H]1CCCNC1=O 89793087 SBZRSZGTWPQFHR-JTQLQIEISA-N 347.343 1.083 0 40 EDAB CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 65403933 MHTYKXQTHXCXET-ZDUSSCGKSA-N 349.431 1.125 0 40 EDAB CCOc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 54815485 BPTVVGARIWQWKW-UHFFFAOYSA-N 348.424 1.705 0 40 EDAB Cc1c(C(=O)N[C@H]2CC(=O)N(C)C2)cnn1-c1ccccc1Cl 69700246 FYADFCJKFCJINX-NSHDSACASA-N 332.791 1.795 0 40 EDAB Cn1cc([C@H]2CN(CCOc3cccc(C(=O)O)c3)CCO2)cn1 514943752 LDSGQGDMNSDANG-MRXNPFEDSA-N 331.372 1.571 0 40 EDAB Cn1cc(CN2Cc3cncn3[C@H](CNC(=O)CC3CC3)C2)cn1 306138850 SJIPHVMVRPJEGF-MRXNPFEDSA-N 328.420 1.090 0 40 EDAB O=CN1CCc2cc(C(=O)CS(=O)(=O)c3ccccc3)ccc21 189169028 MWVDNDVHMYPVLB-UHFFFAOYSA-N 329.377 1.862 0 40 EDAB Cc1cc2nnc(SCC(=O)Nc3ccccc3F)n2c(N)n1 35315127 YFRVOXPMRMXDLR-UHFFFAOYSA-N 332.364 1.885 0 40 EDAB Cc1nc2ccccc2n1CCC(=O)N1CCN(CCN(C)C)CC1 120265321 HSVOMVPPQPOQBG-UHFFFAOYSA-N 343.475 1.441 0 40 EDAB Nc1nc(N2CCC(=O)CC2)ncc1S(=O)(=O)c1ccccc1 71771895 JPVDODWURZYEKT-UHFFFAOYSA-N 332.385 1.061 0 40 EDAB COC(=O)c1ccc(OCc2noc(C(=O)NC(C)(C)C)n2)cc1 32103400 CNJUXBXLLNNSSI-UHFFFAOYSA-N 333.344 1.964 0 40 EDAB O=C(CCc1ccsc1)NCCNC(=O)COc1ccccc1 31394433 WLDDDJRYVZTPRJ-UHFFFAOYSA-N 332.425 1.992 0 40 EDAB CCN(CC)C(=O)[C@@H](N[C@H]1CCc2ncnn2C1)c1ccccc1 69737432 JTHGHDDHKZRHLD-RDJZCZTQSA-N 327.432 1.792 0 40 EDAB C[C@@H](CN1CCOCC1)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 195549384 NSSYUFCAJSNTCA-QWHCGFSZSA-N 337.386 1.098 0 40 EDAB O=C(NCc1ccc(F)cc1F)[C@@H]1CSc2nccc(=O)n2C1 85473998 YOEHGQGHHINDQD-JTQLQIEISA-N 337.351 1.560 0 40 EDAB CN(C)c1nccc(CNC(=O)Nc2ccc3c(c2)OCCO3)n1 224238524 ANJOHRXMWSNSTO-UHFFFAOYSA-N 329.360 1.636 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(C)cc2)s1 223195037 DPSJJFHQGBIHPP-UHFFFAOYSA-N 340.430 1.626 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1 223302190 WLFZTDGTZZGAEJ-UHFFFAOYSA-N 349.412 1.027 0 40 EDAB CCc1ccc([C@@H]2CNCCN2C(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1 583635247 ZNFXNAOZAMMZRW-HRCADAONSA-N 332.400 1.354 0 40 EDAB Cc1cnc(N2CCO[C@]3(CCCN(c4ccc(C)nn4)C3)C2)nc1 96226543 QAOFWABXTSMQPY-SFHVURJKSA-N 340.431 1.759 0 40 EDAB Cc1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)no1 96181797 LEMLNUZCDPWERQ-LSDHHAIUSA-N 333.319 1.659 0 40 EDAB COCc1cc(N[C@H]2CCc3nnc(C(C)C)n3C2)n2ncnc2n1 97199321 VVELLFGBILPYTL-NSHDSACASA-N 342.407 1.413 0 40 EDAB Cc1nc(C)c(CCC(=O)N(C)CCc2ncc(C)s2)c(=O)[nH]1 96484476 JWQCJVQEXMURSK-UHFFFAOYSA-N 334.445 1.785 0 40 EDAB CN(C)C(=O)N1CCC[C@]2(COCCN(c3ncccc3F)C2)C1 96229081 CHJWZIRXBXBWHP-QGZVFWFLSA-N 336.411 1.821 0 40 EDAB O=C(NCCc1cccnc1)C(=O)Nc1ccc(C(F)(F)F)nc1 96485597 VDQUQCHAPJOJES-UHFFFAOYSA-N 338.289 1.793 0 40 EDAB O=C(O)[C@]12CCCN(Cc3ccco3)C[C@H]1CN(c1ncccn1)C2 96185223 MQHPQLZGABXJNI-KSSFIOAISA-N 342.399 1.873 0 40 EDAB Cc1cnc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCC2CC2)cn1 96227802 VOEWYGHGYGQCDZ-CQSZACIVSA-N 328.416 1.554 0 40 EDAB O=C(N[C@H]1CCCN(c2cccnc2)C1=O)[C@@H]1CCc2cccnc21 333529900 XVTKTZMZYDBNMG-CVEARBPZSA-N 336.395 1.818 0 40 EDAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3cccnc3)C[C@H]12)c1ccno1 96185496 HFBXTWNHLJVPFC-YQQAZPJKSA-N 342.399 1.337 0 40 EDAB COCCO[C@@H]1CCN(Cc2cccnc2)[C@H]1Cc1cnn(C)c1 96200219 HUDLOZNMZYNESH-ZWKOTPCHSA-N 330.432 1.664 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCOc2cccc(F)c21 96467444 XPWFLMPOGDGVEI-UHFFFAOYSA-N 339.326 1.961 0 40 EDAB COCCN1C(=O)CCC[C@@]12CCCN(C(=O)c1cccnc1)C2 96229872 CXHQBFOTVYSWLJ-SFHVURJKSA-N 331.416 1.715 0 40 EDAB O=C(O)[C@@H]1C[C@H](N2CCOCC2)CCN1C(=O)Cc1ccsc1 96198746 MNQPMCPNZMTWKS-KGLIPLIRSA-N 338.429 1.067 0 40 EDAB Cc1cccc(CN2Cc3ccnn3C[C@H](COCCN(C)C)C2)n1 96188972 GRYTXTMKFQYFOI-QGZVFWFLSA-N 343.475 1.797 0 40 EDAB Cn1ccc(C(=O)N2CC3(C2)OCC[C@H]3COCc2ccccn2)n1 248087272 BMHFAWWQKUNPDE-AWEZNQCLSA-N 342.399 1.263 0 40 EDAB CS(=O)(=O)NC[C@@H]1CN(Cc2ccsc2)Cc2ccnn2C1 247510657 IIFFIEKRJALDOK-CYBMUJFWSA-N 340.474 1.126 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 247874548 SKLNBBXIJFPABG-CYBMUJFWSA-N 338.429 1.818 0 40 EDAB Cn1c(Cn2cc(NC(=O)[C@H]3CCCO3)cn2)nc2ccccc21 584908238 QQDADIDXZVODEE-OAHLLOKOSA-N 325.372 1.936 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)n1 257236935 HEKBOFPDOICBSS-CQSZACIVSA-N 344.419 1.074 0 40 EDAB C[C@H]1CN(Cc2ccncc2Br)CCS(=O)(=O)C1 585117505 ICPBTXJJBTYTQA-JTQLQIEISA-N 333.251 1.711 0 40 EDAB CCOC(=O)CCN(C)C(=O)[C@H]1CCCN(Cc2ccccn2)C1 585135574 QYQUPBYLQJDOBK-HNNXBMFYSA-N 333.432 1.705 0 40 EDAB COC(=O)C[C@H]1Cc2ccccc2N1CC1(CS(C)(=O)=O)CC1 585116313 QJFPWFABWWLEFA-CQSZACIVSA-N 337.441 1.806 0 40 EDAB CNC(=O)C1(C(=O)NCc2ccc(N=c3cc[nH]cc3)cc2)CCC1 585130791 CCTWZPFTMUCOHB-UHFFFAOYSA-N 338.411 1.780 0 40 EDAB CNC(=O)c1cc(C)nc([C@]2(C)CCCN2c2ccnc(C)n2)n1 257313150 URFFEDMLJVMKGG-KRWDZBQOSA-N 326.404 1.759 0 40 EDAB Cc1ncccc1NS(=O)(=O)c1ccc2c(c1)O[C@@H](C)C(=O)N2 252478288 AIOKCMUDMQMROK-JTQLQIEISA-N 333.369 1.910 0 40 EDAB O=C(COc1ccccc1F)N1CCOC[C@H](Cc2ccncn2)C1 257241466 HYCQNFJSDSDCFH-CQSZACIVSA-N 345.374 1.712 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 257312506 UOHMKDXGBJEUQL-HNNXBMFYSA-N 342.390 1.498 0 40 EDAB Nc1cc(CC[C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)ccn1 257209792 BRXFFKMCWYZPLG-AWEZNQCLSA-N 348.428 1.081 0 40 EDAB Cc1c(C(=O)N2C[C@@H](O)[C@H](N3CCOCC3)C2)oc2ccccc12 257338640 YYHCGXNIJXHVOI-HUUCEWRRSA-N 330.384 1.259 0 40 EDAB O=C(NCCn1ccc2ccoc2c1=O)[C@H]1COc2ccccc2O1 253472237 KMBSWGLAIYWMEQ-OAHLLOKOSA-N 340.335 1.551 0 40 EDAB COC(C)(C)C(=O)N1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 257330594 XPAMJCRSXBZFJR-YOEHRIQHSA-N 325.380 1.981 0 40 EDAB CNc1nc(C)cc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)n1 252509426 YNROMIMOGXTWEI-UHFFFAOYSA-N 331.420 1.932 0 40 EDAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](O)c2cnn(C)c2)CC1 252498791 RLFBIXCKBNRZKE-MRXNPFEDSA-N 348.834 1.764 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc(F)c(Cl)c2)C1 257333701 YCQXIXSBLRXZNY-LLVKDONJSA-N 327.787 1.229 0 40 EDAB Cc1n[nH]c(C)c1-c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1 257212981 CFQZOENIOQTFOW-UHFFFAOYSA-N 335.433 1.623 0 40 EDAB CN(C(=O)C1CCC(C(=O)O)CC1)[C@H]1CCCC[C@H]1S(C)(=O)=O 262703178 IRSHGIVGLDEEHC-CLRIEMFWSA-N 345.461 1.692 0 40 EDAB C[C@@H](CC(=O)c1ccccc1)NS(=O)(=O)CC(=O)OC(C)(C)C 1615547424 AGVJWTXTUAGGRZ-LBPRGKRZSA-N 341.429 1.909 0 40 EDAB CN1CCN(S(=O)(=O)CCc2cccs2)C[C@@]12CCOC2 1615589541 IJKGURUGBMVZCR-CQSZACIVSA-N 330.475 1.027 0 40 EDAB Cc1cc(C)n([C@H](CNC(=O)c2cn(C)nn2)c2cccs2)n1 575605143 NBIKAMOMXVBXPL-CYBMUJFWSA-N 330.417 1.709 0 40 EDAB Cn1nccc1C1CCN([C@H](C(=O)NC(N)=O)c2ccccc2)CC1 65478565 VFLHKIAOPXMCSS-INIZCTEOSA-N 341.415 1.536 0 40 EDAB COc1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 69457048 RUGQUEGURJWERL-MRXNPFEDSA-N 333.432 1.368 0 40 EDAB Cc1ccc(CN2CCOC[C@H](Cc3cc(C(N)=O)ncn3)C2)cc1 72388299 BZOXRCSEAHHMPG-MRXNPFEDSA-N 340.427 1.575 0 40 EDAB O=C(N[C@H]1CCSc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 47594084 OSFYKPYXUMAHNC-PWSUYJOCSA-N 326.443 1.710 0 40 EDAB COc1ccc(-c2noc(CN3CCC(CO)CC3)n2)cc1OC 46090763 VLUYNKIWKCLZHD-UHFFFAOYSA-N 333.388 1.958 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)NCC2(O)CCCCC2)c1 58247585 AQVVRSHHMMMOJR-UHFFFAOYSA-N 330.392 1.694 0 40 EDAB CCN1CC[C@H](N(C)Cc2csc(CS(C)(=O)=O)n2)C[C@@H]1C 78950238 LQLXKXIGVLWYQE-JSGCOSHPSA-N 345.534 1.992 0 40 EDAB Cc1cc([C@](C)(O)CNC(=O)Nc2nnc3ccccn23)c(C)o1 76070383 UYYLDNPTGBCMFU-MRXNPFEDSA-N 329.360 1.968 0 40 EDAB NC(=O)[C@H]1CCC[C@H]1NC(=O)COc1cccc(C(F)(F)F)c1 78879295 PTPGQWIHIVURSC-NWDGAFQWSA-N 330.306 1.854 0 40 EDAB CC(C)c1nc([C@H]2COCCN2S(=O)(=O)c2ccccc2)no1 96000561 NGAPWFCDXPXZGA-CYBMUJFWSA-N 337.401 1.955 0 40 EDAB CCSc1nnc([C@@H]2CCCN(CC(=O)N(CC)CC)C2)n1C 5001424 MWHDLYOPZQLDFO-CYBMUJFWSA-N 339.509 1.975 0 40 EDAB Cc1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)C4CCC4)C3)c2n1 12337296 QQQIZEFKIYEAIR-LLVKDONJSA-N 330.392 1.274 0 40 EDAB COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(C)no3)N(C)C2)c1 12530036 BSHDKXQYEYDFJN-JSGCOSHPSA-N 331.376 1.954 0 40 EDAB biogenic,in-vitro O=C(c1cscn1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 13268135 XAYJGGRJCWYIBJ-UHFFFAOYSA-N 340.368 1.294 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 17071229 FMJDCYGHTXSOJC-IGNRKKQASA-N 340.379 1.601 0 40 EDAB Cc1c(C)n(C)c2ccc(C(=O)NCCC(=O)N3CCOCC3)cc12 19554624 KNBXZVWVPOQAFW-UHFFFAOYSA-N 343.427 1.774 0 40 EDAB COCCc1nnc(NS(=O)(=O)c2ccc(F)c(C)c2)s1 19570825 GGXHZYIVOPDESJ-UHFFFAOYSA-N 331.394 1.975 0 40 EDAB COCCC(=O)NCCc1nc(N(C)C)ncc1-c1ccncc1 19585344 IQCPTOXDKJFOKH-UHFFFAOYSA-N 329.404 1.300 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(Oc3cnccn3)CC2)on1 19656784 JVQLCFWQXWHYLQ-GFCCVEGCSA-N 331.376 1.643 0 40 EDAB CN(C)Cc1cc(C2CCN(C(=O)[C@H]3CCCNC3)CC2)nn1C 19710237 DMTOBOIEVOUGQC-HNNXBMFYSA-N 333.480 1.187 0 40 EDAB Cc1cc(C)nc(N2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)n1 607853678 LZHGEQZIEMCJKE-GFCCVEGCSA-N 335.433 1.604 0 40 EDAB O=S(=O)(Cc1ccccc1)NCCn1ccc(-c2cnccn2)n1 238919507 SVUUFIOODYTDAI-UHFFFAOYSA-N 343.412 1.460 0 40 EDAB CCOCC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037839765 CNXJQEFYDBGXNN-SFHVURJKSA-N 332.400 1.448 0 40 EDAB c1nc(N2CC[C@H](COc3ccc4nccn4n3)C2)c2c[nH]nc2n1 2087063149 AUSPRZYURRLLNO-NSHDSACASA-N 336.359 1.301 0 40 EDAB COc1cccc(N2C[C@H](NC(=O)NCc3ccccn3)CC2=O)c1 4272610 XAXOPWCITKWEJT-CQSZACIVSA-N 340.383 1.695 0 40 EDAB CN(C)C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 4271981 OULCKRVMQKTPIN-UHFFFAOYSA-N 327.384 1.535 0 40 EDAB O=C1C[C@H](NS(=O)(=O)c2cccs2)CN1c1cccc(F)c1 4497764 CHMLJJAFXIWRLV-NSHDSACASA-N 340.401 1.971 0 40 EDAB COc1ccc(CC(=O)Nc2nnc(-c3cc(C)nn3C)o2)cc1 13614955 ORUKPIDBATXCLL-UHFFFAOYSA-N 327.344 1.968 0 40 EDAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cnccn1 206793835 LWKKIOSDIRGBSN-FZMZJTMJSA-N 345.330 1.451 0 40 EDAB O=C(NCC1(O)CCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 49522414 KBJHDDMMISMFER-UHFFFAOYSA-N 345.399 1.173 0 40 EDAB c1cc(N2CCN(c3ncnc4[nH]cnc34)CC2)nc(-n2cccn2)c1 2298105391 NKDOJTDDTKKNCI-UHFFFAOYSA-N 347.386 1.260 0 40 EDAB CCCN1C(=O)c2cccc3c(S(=O)(=O)NCC(=O)O)ccc1c23 28580296 DDQKFJIVOHXBNL-UHFFFAOYSA-N 348.380 1.573 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 102445378 ITASIBIOHKWOKH-UOVKNHIHSA-N 330.384 1.151 0 40 EDAB biogenic CCN(C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2CC)C1CCCCC1 30475924 BFOJXUMBWZQCEN-UHFFFAOYSA-N 344.415 1.900 0 40 EDAB CC(C)[C@@H](CNC(=O)c1ccc(NS(C)(=O)=O)cc1)N(C)C 31272835 HHJQPSUGFOTGQB-CQSZACIVSA-N 327.450 1.374 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)NCCCOc1ccccc1F 40489417 VGZSLCUOELPEJC-ZDUSSCGKSA-N 344.408 1.135 0 40 EDAB CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(F)cc1 40477278 QLKBKRTXIUFQPI-UHFFFAOYSA-N 338.404 1.984 0 40 EDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCO[C@H](C(N)=O)C1 50853054 RZNOAVRRXNYRKU-LBPRGKRZSA-N 326.780 1.210 0 40 EDAB O=C(Cn1cnc2ccsc2c1=O)NC1CCN(C2CC2)CC1 31788983 ITRABNJRSZIMEN-UHFFFAOYSA-N 332.429 1.201 0 40 EDAB CCn1cnnc1CNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 40536147 KOYWSYBXOOXQIL-CHWSQXEVSA-N 344.419 1.237 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1COc2ccccc2O1 40553725 OHBSPUQHIIHNQN-CZUORRHYSA-N 340.383 1.402 0 40 EDAB Cc1cc2c(=O)n(C)c(=O)n(CC(=O)Nc3ccccc3)c2s1 32093533 WJPBMSPVCOBMLI-UHFFFAOYSA-N 329.381 1.709 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(C[C@H](O)c3ccc(F)cc3)C2=O)cn1 101379866 IMQTWEMFBJCHBC-HIFRSBDPSA-N 331.347 1.210 0 40 EDAB Cc1cccc(-c2nc(CN3C(=O)N[C@]4(CCSC4)C3=O)no2)c1 32319717 RTWBESYPEQLNOP-INIZCTEOSA-N 344.396 1.973 0 40 EDAB CCN(CC(=O)NC)S(=O)(=O)c1ccc(OC(C)C)c(C)c1 32436299 ZSMBCKMDIKRCOV-UHFFFAOYSA-N 328.434 1.539 0 40 EDAB O=C(CNS(=O)(=O)c1cccs1)Nc1ccc2c(c1)OCO2 32632803 ZEFGTXLIRRQJFC-UHFFFAOYSA-N 340.382 1.394 0 40 EDAB CCCn1c(SCC(=O)Nc2nnc(C(C)C)o2)n[nH]c1=O 32831971 KYTGZPUDCQSASK-UHFFFAOYSA-N 326.382 1.219 0 40 EDAB COc1cccc(C(=O)NCCNC(=O)c2cccc(C)c2O)c1 32909830 UNUKXRPRKOGFHQ-UHFFFAOYSA-N 328.368 1.869 0 40 EDAB C[C@H]1CCC[C@@H](NC(=O)Cn2nnc(COc3ccccc3)n2)C1 33183743 KNSWRTJAGQQLBW-UONOGXRCSA-N 329.404 1.947 0 40 EDAB C[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)c2ccccc2S1 33163067 IKRGABCLHIVKNQ-LBPRGKRZSA-N 345.424 1.465 0 40 EDAB O=C(NCC(=O)N1CCCCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 53073022 FMNFHMXDWSDNRZ-INIZCTEOSA-N 343.427 1.164 0 40 EDAB COc1cc(C(=O)N[C@H](C)C(N)=O)cc(OC)c1Br 53331141 AZZGYKJTKCHDBU-ZCFIWIBFSA-N 331.166 1.070 0 40 EDAB CCCCn1nc(C(=O)NCCc2nc3ccccc3[nH]2)ccc1=O 22314349 FZVUXWWYBARUKY-UHFFFAOYSA-N 339.399 1.892 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)CCc2ccc3c(c2)OCO3)C1 22693719 NDVOJIQXZWPMTB-MRXNPFEDSA-N 348.443 1.821 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)CCc2ccccc2Br)C1 53895307 RENVWECGJJZHEI-NSHDSACASA-N 325.206 1.716 0 40 EDAB COC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12391424 DJLPTCONIDBFBZ-CYBMUJFWSA-N 343.383 1.309 0 40 EDAB CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 810139 JJHMWPYHLZBRPS-LLVKDONJSA-N 330.837 1.877 0 40 EDAB O=C(N[C@@H]1CCCCNC1=O)c1ncccc1OCc1ccncc1 76946423 PVVAUSTWBQGEOW-CQSZACIVSA-N 340.383 1.454 0 40 EDAB CCc1nc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)cs1 77614332 NNXULSBECNDZDQ-BBRMVZONSA-N 344.440 1.936 0 40 EDAB Cc1ccc(NC(=O)CSCC(=O)NCCc2cnn(C)c2)cc1 42729604 BSOMLPRECUUYDL-UHFFFAOYSA-N 346.456 1.759 0 40 EDAB COc1cc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)ccc1O 105630994 TWQWDGWKDMNNDP-MICXRRPDSA-N 343.360 1.236 0 40 EDAB CCCNC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 12537634 MNAFIOYYDHIZBH-UHFFFAOYSA-N 348.447 1.891 0 40 EDAB CC[C@@H](C)NC(=O)COC(=O)c1ccc2c(c1)nc(C)c(=O)n2CC 7576651 NBPRBXNOGQQAHE-LLVKDONJSA-N 345.399 1.796 0 40 EDAB O=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1nccs1 43160539 ZREJXQLDBYNPMM-CQSZACIVSA-N 332.429 1.684 0 40 EDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccccc1C 10339408 QBSQLDIJHHESLE-GJZGRUSLSA-N 345.399 1.033 0 40 EDAB CCn1cnnc1SCC(=O)NC[C@@H]1COc2ccccc2O1 8156092 ZJXWMGVTZUIMKT-LLVKDONJSA-N 334.401 1.346 0 40 EDAB O=c1[nH]cccc1-c1nc(-c2cccc(CN3CCOCC3)c2)no1 72274948 CXJBPKOXXFQNFK-UHFFFAOYSA-N 338.367 1.924 0 40 EDAB Cc1nn2c(nc(N3C[C@H](O)C[C@H]3C(N)=O)c3ccccc32)c1Cl 107085561 KPHPOIIADJIFBC-SKDRFNHKSA-N 345.790 1.269 0 40 EDAB O=S(=O)(NCc1cccc(Cn2cncn2)c1)c1cccc(F)c1 56088090 ZMMDCHKPUADTBF-UHFFFAOYSA-N 346.387 1.944 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N1CCOCC1 26298224 VIZDECHNFNYKRM-AWEZNQCLSA-N 329.404 1.119 0 40 EDAB Cc1cc(=O)n2c(n1)NC(N1CCN(C)CC1)=N[C@@H]2c1ccccc1 9289430 ORICMVGGUBACQP-INIZCTEOSA-N 338.415 1.128 0 40 EDAB c1cnc(-c2nc(CN3CCN(c4cnccn4)CC3)cs2)nc1 48251695 SBLDELVCYRLQNS-UHFFFAOYSA-N 339.428 1.712 0 40 EDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCCCCC3)cnc21 12763903 BKUQGHMOJFRNDJ-UHFFFAOYSA-N 330.388 1.557 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H]1CCS(=O)(=O)C1 44720503 NDVHPNXOWKKWHQ-CQSZACIVSA-N 347.440 1.654 0 40 EDAB CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 2072339 OSKSENZOYFJWHX-NSHDSACASA-N 344.433 1.385 0 40 EDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OC)cc1 20423873 GSTDWFUYNMHTSW-AWEZNQCLSA-N 345.359 1.160 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCn3ccnc3)CC2=O)c(F)c1 44911797 IXMLDUKMMBQBHU-CYBMUJFWSA-N 330.363 1.500 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H](C)c2cccnc2)c1 44951392 STKLTIADCDRYAA-LBPRGKRZSA-N 348.428 1.550 0 40 EDAB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2[C@@H]1CC=CCC1 10385458 RBNJCIXIIRGXHR-UKRRQHHQSA-N 329.404 1.520 0 40 EDAB CCOc1cc(C(=O)OCC(=O)NC)cc(OCC)c1OCC 3309300 WGGHGFBLVPKZQA-UHFFFAOYSA-N 325.361 1.786 0 40 EDAB CO[C@@H]1CCC[C@H]1OC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102759632 RGGMYSQMHXLFKM-CHWSQXEVSA-N 334.397 1.947 0 40 EDAB NC(=O)COc1ccc(C(=O)Nc2cccc(-n3ccnc3)c2)cc1 58383448 NRUNONXWBLNDBZ-UHFFFAOYSA-N 336.351 1.989 0 40 EDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(-n2cnnn2)c1 28013055 IXTLPUAHUIPQOS-UHFFFAOYSA-N 330.392 1.039 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2 108535178 VBQCULUPLKTXRL-UHFFFAOYSA-N 340.420 1.600 0 40 EDAB Cn1cnnc1-c1cccc(NC(=O)c2ccnc(-n3cncn3)c2)c1 97106469 NETUCQILDAIESX-UHFFFAOYSA-N 346.354 1.710 0 40 EDAB Cc1cccc(CN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C2CC2)c1 59387409 NFEMHUFZCCVMTL-OAHLLOKOSA-N 336.457 1.263 0 40 EDAB CN(Cc1ccncc1)C(=O)NC1CCN(c2ncccn2)CC1 45710367 XLEGPCNMCNUNFH-UHFFFAOYSA-N 326.404 1.682 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(/C=C/c2ccccn2)c1 12108761 IUTKVRCXBXJPQK-BQYQJAHWSA-N 348.362 1.741 0 40 EDAB Cc1c(CNC(=O)c2cc3ncc(Br)cn3n2)cnn1C 2792734 HZHGUDXHEHBMQW-UHFFFAOYSA-N 349.192 1.464 0 40 EDAB CCOC(=O)[C@H](CSC(=O)CCC(=O)O)NC(=O)OC(C)(C)C 4013975 PDTVSXXPVLBCJF-VIFPVBQESA-N 349.405 1.567 0 40 EDAB CC(C)CNC(=O)CNC(=O)N1CCN(c2ccc(F)cc2)CC1 64630476 QQSRYFPKJXDCOK-UHFFFAOYSA-N 336.411 1.430 0 40 EDAB CCOC(=O)/C=C/C(=O)OCc1cc(=O)oc2cc(OC)ccc12 6011534 KHHVIXFMLJPFTQ-VOTSOKGWSA-N 332.308 1.964 0 40 EDAB CCCNC(=O)CNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 39984949 OSOUSTDVZOZXLX-AWEZNQCLSA-N 339.823 1.550 0 40 EDAB NS(=O)(=O)Cc1ccc(CNC(=O)N2CCCCCC2)cc1 65449596 RJPUOGGUUBVSEG-UHFFFAOYSA-N 325.434 1.561 0 40 EDAB COC(=O)CN(C(=O)[C@@H](C)n1nc(C)cc1C)c1cccc(F)n1 84101679 LSVLSJLMMAWUCK-GFCCVEGCSA-N 334.351 1.801 0 40 EDAB O=C([C@@H](Sc1nnnn1C1CC1)c1ccccc1)N1CCOCC1 14129277 GLAGVCUXVUMZRK-AWEZNQCLSA-N 345.428 1.700 0 40 EDAB O=C(COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1ccc(F)cc1 4512377 YBHZCCDSCAEROQ-GCDOJLDRSA-N 333.315 1.505 0 40 EDAB Cn1cccc1C(=O)NC(=O)CSc1nnnn1C1CCCCC1 9364276 WSRLMFVOQAHEOC-UHFFFAOYSA-N 348.432 1.566 0 40 EDAB CCCSc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 9390183 ONQAAKGQHKFXKH-UHFFFAOYSA-N 330.417 1.962 0 40 EDAB CCCOc1ccc(N2C(=O)C[C@@H](NC3CCOCC3)C2=O)cc1 15084298 DIBPXBWYHZBCOW-MRXNPFEDSA-N 332.400 1.876 0 40 EDAB Cc1noc(C)c1CNC(=O)NCC(=O)N(C)CCc1ccccn1 67065702 MWKNEDBBTWBCIU-UHFFFAOYSA-N 345.403 1.187 0 40 EDAB Cc1cc(C)c(CS(=O)(=O)[C@@H](C)C(=O)N2CCOCC2)c(C)c1 67225786 GLNJXBCVTUCBLR-HNNXBMFYSA-N 339.457 1.774 0 40 EDAB CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1n[nH]c2ccccc12 67331470 SWIHLRZBNFDWJP-MRXNPFEDSA-N 336.395 1.992 0 40 EDAB COC1(CNC(=O)c2cccc(CN3CCN(C)CC3)c2)CCC1 97079843 VXEBGFHJMXOKPQ-UHFFFAOYSA-N 331.460 1.733 0 40 EDAB CN(CC(=O)N1CCc2ccc(C(C)(C)C)cc2C1)S(C)(=O)=O 97080333 HTXQJGAPWXGRBK-UHFFFAOYSA-N 338.473 1.760 0 40 EDAB CCc1noc(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)n1 71794672 FYOXNWZFLFJVDS-CQSZACIVSA-N 335.429 1.821 0 40 EDAB COc1ccc(OCC(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1 21538590 RBYHMQXHTYOPJI-UHFFFAOYSA-N 344.323 1.727 0 40 EDAB CN1CCN(c2ccc(NC(=O)CNC(=O)OC(C)(C)C)cc2)CC1 68231674 PXDVFGYBRPZQOY-UHFFFAOYSA-N 348.447 1.902 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2c(C)[nH]c3ccccc23)CC1 71881989 ZVBNBHBIEDHMLI-OAHLLOKOSA-N 345.443 1.632 0 40 EDAB CC(C)[C@H](C)NC(=O)COC(=O)CCS(=O)(=O)c1ccccc1 8185712 MYXIXICZGWHGEC-ZDUSSCGKSA-N 341.429 1.554 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2ncccn2)CC1 71820806 IKZXMFSVQUUDTB-UHFFFAOYSA-N 326.356 1.097 0 40 EDAB COc1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)c(OC)c1 8217639 ZDTIJBLSKUFQDD-GFCCVEGCSA-N 344.367 1.966 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)n1cccn1 71854069 ICKIHHUYUYHYRE-ZDUSSCGKSA-N 341.415 1.785 0 40 EDAB CN(C)[C@H](C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 72269186 ASFFMJFTMQDKPH-SQNIBIBYSA-N 331.460 1.347 0 40 EDAB CCCCNC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 8389720 PQVMLYNCGDSZAD-KRWDZBQOSA-N 331.372 1.133 0 40 EDAB Cc1noc([C@@H](C)N2CCN(Cc3nnsc3Cl)CC2)n1 69414638 GHGMYUYLUBQZNF-MRVPVSSYSA-N 328.829 1.762 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2C 71911850 OBETVPPGDOUVHX-HNNXBMFYSA-N 344.415 1.680 0 40 EDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 69582094 RLPURIOGLGXJCX-NSHDSACASA-N 339.392 1.403 0 40 EDAB C[C@@H](NC(=O)CN1CCCN(Cc2noc(C3CC3)n2)CC1)C1CC1 72267454 DLMJFAOFXCBIJD-CYBMUJFWSA-N 347.463 1.369 0 40 EDAB CN1CCN(CCOc2ccccc2NC(=O)c2cccnc2)CC1 69698499 ORYBHUWGDXLMHZ-UHFFFAOYSA-N 340.427 1.960 0 40 EDAB Cn1cc([C@@H]2CCCN2C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cn1 69667392 PSWOAPNAYPBLHF-IRXDYDNUSA-N 349.456 1.694 0 40 EDAB CC(C)(CNC(=O)c1n[nH]c(=O)[nH]1)c1cccc(Br)c1 69654941 ZGXOISOVDGORNX-UHFFFAOYSA-N 339.193 1.568 0 40 EDAB CCc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ncn1 69744493 XVKHVLIMGZHDRA-UHFFFAOYSA-N 346.456 1.691 0 40 EDAB C[C@H](C(=O)NCc1ccccc1)N1CCC[C@H](Cn2cncn2)C1 69843219 LADDSDMZVMWDIL-WBVHZDCISA-N 327.432 1.695 0 40 EDAB CC(C)(C(=O)N1CCCN(CC(N)=O)CC1)c1ccc(Cl)cc1 69896754 YKUKAHJBOVPCGQ-UHFFFAOYSA-N 337.851 1.637 0 40 EDAB COc1cccc(CN2C(=O)CC[C@@H](C(=O)O)[C@@H]2c2cnn(C)c2)c1 69815436 VVFKNCXMEHEDPU-WBVHZDCISA-N 343.383 1.993 0 40 EDAB COc1ccc(F)cc1NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 92105355 AUTSEYLETVHCFU-LBPRGKRZSA-N 347.350 1.495 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(C)nn32)c(OC)c1 8768031 TZYREIURYJBMJM-NSHDSACASA-N 331.332 1.126 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1C 84007939 ZKTIBECAEICZEE-HNNXBMFYSA-N 333.432 1.817 0 40 EDAB CCOc1ncnc2c1CN([C@H](C)C(=O)Nc1nccs1)CC2 97202212 WNDGOSZFXOHJER-SNVBAGLBSA-N 333.417 1.717 0 40 EDAB NS(=O)(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 84363676 YBRPSDZVNMLGFG-SECBINFHSA-N 334.239 1.069 0 40 EDAB CCc1noc(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)n1 95396112 IEZPHRHPEAVCQR-SUMWQHHRSA-N 342.399 1.810 0 40 EDAB C[C@H](Nc1nccn2nnnc12)[C@@H](O)c1ccc(Br)cc1 95407603 WBZFWAZDJUPQNY-GZMMTYOYSA-N 349.192 1.816 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ncnn1C 95403728 OKANJZIPEUBEID-DOMZBBRYSA-N 329.404 1.276 0 40 EDAB CC(C)N(C)C(=O)C1CCN(C(=O)C[S@@](=O)C2CCCC2)CC1 95417724 OKZZNZXBVZPQNV-QHCPKHFHSA-N 342.505 1.783 0 40 EDAB NC(=O)C[C@H](NCc1cnn(Cc2ccccc2)c1)C1CCOCC1 95452890 UXHAASPDYGQKOB-SFHVURJKSA-N 342.443 1.692 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)Cc3noc4ccccc34)C2=O)cn1 98010372 HPCKXOOGZMPCCC-ZDUSSCGKSA-N 339.355 1.026 0 40 EDAB C[C@@H](NCC(=O)N1CCC[C@H](C(N)=O)C1)c1ccc(F)c(Cl)c1 95984591 PQFZGZMVSUUFEN-PWSUYJOCSA-N 341.814 1.854 0 40 EDAB COc1cccnc1NS(=O)(=O)c1cc(C(N)=O)sc1C 95995761 NNLKOBJROSBUKY-UHFFFAOYSA-N 327.387 1.360 0 40 EDAB Cc1[nH]cc(C(=O)NCC(C)(C)N2CCOCC2)c(=O)c1Cl 89505461 PXZRHUHYIGBEGE-UHFFFAOYSA-N 327.812 1.177 0 40 EDAB CSc1ccc(CNC(=O)c2nnn3cc(C)nc(O)c23)cc1 75163981 OUFLTUTZBWPOLF-UHFFFAOYSA-N 329.385 1.790 0 40 EDAB O=C(C[S@](=O)C1CCCC1)NCc1cccc(C(=O)NC2CC2)c1 89774483 SLZUNOIAEMJZPO-XMMPIXPASA-N 348.468 1.886 0 40 EDAB CN(Cc1ncnn1C)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 89741155 YVBAKNNRJJLXMJ-CJNGLKHVSA-N 345.378 1.132 0 40 EDAB CCCn1nnnc1CN1CC[C@H](N(C)Cc2nnc(C3CC3)o2)C1 89960677 ZBXDTLATLSXBBW-ZDUSSCGKSA-N 346.439 1.050 0 40 EDAB Cc1n[nH]c([C@H]2CN(CC(=O)N(C)Cc3ccc(C)o3)CCO2)n1 76048076 ABJABGCBQHNWII-CQSZACIVSA-N 333.392 1.046 0 40 EDAB C[C@@H](C(=O)Nc1ncccn1)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 76040453 PYYTZHRKYSFGLU-STQMWFEESA-N 349.435 1.745 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCCO)cc1NC(=O)CC 408699130 VBVAFKDAOQQQBA-UHFFFAOYSA-N 330.406 1.095 0 40 EDAB CN(C)c1n[nH]c(C2CCN(C(=O)COc3ccccc3)CC2)n1 549743083 DXKRCQYQSOAIKW-UHFFFAOYSA-N 329.404 1.656 0 40 EDAB CCN(C1CCN(C(=O)N[C@@H]2CC=CCC2)CC1)S(C)(=O)=O 77641648 DZLBVNFWAXONPT-CYBMUJFWSA-N 329.466 1.551 0 40 EDAB COc1cc2c(cc1OC)-c1c(c(C(=O)NCCCO)nn1C)C2 32102258 ZCZAYGDLZNKNGU-UHFFFAOYSA-N 331.372 1.121 0 40 EDAB CN1CCC(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)CC1 72830352 VLWUMNWWRNQWEM-OAHLLOKOSA-N 345.443 1.876 0 40 EDAB CS(=O)(=O)CCc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1 565032337 YAOFWWNRYNHCJT-UHFFFAOYSA-N 339.413 1.857 0 40 EDAB O=C(CN1CCN(C(=O)COc2ccccc2F)CC1)c1ccco1 35598464 FXZYPHUNCBHCOP-UHFFFAOYSA-N 346.358 1.825 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(C(C)(C)C)co2)C1 565169592 HOBHFOXLLMQLMJ-LLVKDONJSA-N 343.449 1.972 0 40 EDAB Cc1ccncc1NC(=O)C(=O)N1CCC(Cc2nccn2C)CC1 188916658 NUBDBKQXGVYBBQ-UHFFFAOYSA-N 341.415 1.543 0 40 EDAB Cc1ccc(NC(=O)CSCC(=O)N[C@@H](C)C(=O)N(C)C)cc1 79050302 BHYLWRMVFOAJMB-LBPRGKRZSA-N 337.445 1.260 0 40 EDAB COc1ccc(NC(=O)C[C@H]2SC3=NCCN3C2=O)c(OC)c1 36635305 IBQVJUYZIDXNTF-GFCCVEGCSA-N 335.385 1.346 0 40 EDAB CN1CCN(c2cc(C(=O)N(C)CCc3ccccn3)ccn2)CC1 78999351 ILJOZSTZQZWPOG-UHFFFAOYSA-N 339.443 1.543 0 40 EDAB CCc1nc(Cn2cnc3c(cnn3-c3ccccc3C)c2=O)no1 79355833 PSLAMQYNGRHLKZ-UHFFFAOYSA-N 336.355 1.884 0 40 EDAB CC(C)CN1CCO[C@H](COC(=O)c2cnn(C)c2C(F)F)C1 77957478 AUMLEJPFHSFULB-NSHDSACASA-N 331.363 1.871 0 40 EDAB CC(C)(C)OC(=O)NCCCC(=O)c1ccc(N2CCNCC2)nc1 72216266 BELMFFFJDZYDNC-UHFFFAOYSA-N 348.447 1.979 0 40 EDAB Cc1cccc(C(=O)N2CCC[C@](C)(c3[nH]ncc3C(N)=O)C2)n1 72388826 WKGHPVCMKXGGDG-KRWDZBQOSA-N 327.388 1.406 0 40 EDAB COc1ccc2cnn(CC(=O)NCc3ccco3)c(=O)c2c1OC 40287341 QNMVVHJCZVDULB-UHFFFAOYSA-N 343.339 1.323 0 40 EDAB CCCc1nc(NCCN2CCOCC2)c2c(n1)c(C)nn2CC 72264821 HJBBWUQFGFXEIG-UHFFFAOYSA-N 332.452 1.851 0 40 EDAB OCCOc1cncc(N2CCN(Cc3cccc(F)c3)CC2)n1 133391585 TWEMELCBSXVMCE-UHFFFAOYSA-N 332.379 1.309 0 40 EDAB Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(F)cc2F)n1 224178851 QRHWJRRVCATXFL-UHFFFAOYSA-N 348.353 1.830 0 40 EDAB O=C(c1ccc(O)nn1)N1CC(c2nc(Cc3ccccc3)no2)C1 75156400 JTIKBWWXFRFSLU-UHFFFAOYSA-N 337.339 1.396 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCc1nc(-c2ccc[nH]c2=O)no1 225803660 VHWLQRALLJLSNL-NSHDSACASA-N 340.339 1.509 0 40 EDAB C[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C(=O)O 569724605 XWPJINNNRITKCF-MFKMUULPSA-N 340.401 1.665 0 40 EDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)Cc3ccccc3F)C2)n1 225403863 VCFXOXVPJJIBPI-AWEZNQCLSA-N 344.390 1.904 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 222437290 CVFJKTXJTUYOLX-MYZSUADSSA-N 344.367 1.087 0 40 EDAB CCn1cnnc1NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 329134098 ZJXPVWYVBPDWGM-ZIAGYGMSSA-N 343.431 2.160 0 40 EDAB COc1ncccc1NC(=O)C(=O)NC[C@@H](c1ccco1)N(C)C 44902791 UJFYXPQCEUHRJS-LBPRGKRZSA-N 332.360 1.041 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H](Oc2cnccn2)C1 225470892 PYZABXCQZATBGS-BBRMVZONSA-N 341.367 1.686 0 40 EDAB C[C@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1nc(N)nc(N(C)C)n1 195536418 HGUQTLPCZHYAIT-ZENOOKHLSA-N 342.447 1.870 0 40 EDAB Cc1nn(C)c2[nH]nc(NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)c12 89567319 MMXXCEZPYPRDRL-NSHDSACASA-N 330.392 1.192 0 40 EDAB O=C(CN1CCC[C@](O)(c2cnn[nH]2)C1)N1CCCc2ccccc21 583618022 VCWSADRYWOTPLL-GOSISDBHSA-N 341.415 1.068 0 40 EDAB CC(C)[C@H](NC(=O)N1CC[C@]2(CCOC2)C1)c1nnc2n1CCC2 96461953 SARQDYFTIIMLOR-YOEHRIQHSA-N 333.436 1.743 0 40 EDAB Cc1ccc(C(=O)CCN2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1 97099195 DPJJEZAILKETGO-MRXNPFEDSA-N 338.473 1.970 0 40 EDAB O=C(c1c[nH]cn1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 96239738 DDORKQOMEVKZKT-OAHLLOKOSA-N 348.357 1.578 0 40 EDAB Cc1cccc(CN2C(=O)CO[C@@H]3CN(Cc4cnn(C)c4)C[C@H]32)c1 96246411 CCHRIQJTLTVZJT-QZTJIDSGSA-N 340.427 1.340 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2cccs2)cn1 96496175 DUWRYNACWSJALN-LLVKDONJSA-N 339.442 1.908 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)Cn2ncc3ncccc3c2=O)c1 96419815 YYEOMVIWUSFBIA-AWEZNQCLSA-N 325.368 1.848 0 40 EDAB Fc1cnc(N2CC[C@@H]3OCCN(CCN4CCCC4)[C@H]3CC2)nc1 96249356 YAZTWEUJWQSCIZ-IRXDYDNUSA-N 349.454 1.381 0 40 EDAB CCCS(=O)(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2Cc1ccncc1 96186409 HVRILBLTCOBRIP-GJZGRUSLSA-N 337.445 1.387 0 40 EDAB Cc1nc(CN2Cc3nccn3C[C@H](CN3CCOCC3)C2)cs1 96188496 MNRKANROLNXJBA-OAHLLOKOSA-N 347.488 1.612 0 40 EDAB CN(C)C(=O)N1Cc2nnn(C)c2[C@@H](COCc2cccnc2)C1 96045490 SPBGEFSOTADQSN-CYBMUJFWSA-N 330.392 1.008 0 40 EDAB C/C=C1/CN2[C@@H]3Cc4c([nH]c5ccc(O)cc45)[C@@]2(O)C[C@@H]1[C@@H]3CO 1077996492 FNKZQZYHQGWZAE-SMWIECSWSA-N 326.396 1.834 0 40 EDAB biogenic CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(C(=O)c3ccncc3)C2)C1 96225525 IEOKUUMCPSNCHI-KRWDZBQOSA-N 330.388 1.309 0 40 EDAB COCCN1CC2(CCN(Cc3cnn(C)c3)CC2)C[C@@H]1COC 96207629 CKZORGUSLXWFNI-QGZVFWFLSA-N 336.480 1.369 0 40 EDAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(C2CCOCC2)CC1 96447999 QODCUIVRLOUQEI-LJQANCHMSA-N 343.471 1.803 0 40 EDAB CCOC[C@H]1c2c(cnn2C)CCN1C(=O)c1cccnc1OC 96197756 DPXQNXYKSPHUDM-AWEZNQCLSA-N 330.388 1.600 0 40 EDAB CN(C)Cc1nn(C)c2c1CN(S(=O)(=O)c1cccs1)C2 96084458 STDQDTAMOUMXSH-UHFFFAOYSA-N 326.447 1.248 0 40 EDAB O=C(NCC1CC1)[C@H]1C[C@@H]2CN(C(=O)NCC3CCCCC3)C[C@H]1O2 96253068 MMLSSHUUJAQHIQ-IXDOHACOSA-N 349.475 1.892 0 40 EDAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(S(C)(=O)=O)C3)n1 247854047 BPIABEIAILKPJN-AWEZNQCLSA-N 326.418 1.100 0 40 EDAB c1ccc(CN2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)nc1 248072445 GQGQZMXRLXLLMC-BHYGNILZSA-N 326.400 1.930 0 40 EDAB COC(=O)/C=C/c1ccc(OCCN(C)[C@@H]2CCN(C)C2=O)cc1 584908645 YFCAEBFQMNMWSJ-YXMGTMDOSA-N 332.400 1.414 0 40 EDAB CNCC(=O)N1CCC2(CC1)CO[C@@H](Cc1ccc(OC)cc1)C2 257289239 PXSHTRIQKDDLKN-KRWDZBQOSA-N 332.444 1.855 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1cccc(OC)c1F 257255262 KGUUERFNESHUGB-SFHVURJKSA-N 344.390 1.862 0 40 EDAB COCCOc1cccc(CNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1 252503222 UZSLTRNWNDIIEE-ABJHKEKUSA-N 346.427 1.623 0 40 EDAB O=C(Cc1cccnc1)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257317088 VIJIJQDBQWLYPB-IRXDYDNUSA-N 337.379 1.267 0 40 EDAB Cc1[nH]nc(Cl)c1C(=O)N1CCC[C@H](CN2CCOCC2)C1 585129587 ORQUHZUZKUAGAP-GFCCVEGCSA-N 326.828 1.556 0 40 EDAB CCn1c(CNC[C@@H](C)O)nc(Br)c1Br 585136833 UUEPKFYLZKIGJK-ZCFIWIBFSA-N 341.047 1.898 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)on1 257207429 BHSAWHADXCBZKN-CQSZACIVSA-N 332.360 1.314 0 40 EDAB Cc1cccnc1C(=O)N1CCOC[C@H]1CCc1nccnc1C 257301072 RWWSVODUOSSWGK-OAHLLOKOSA-N 326.400 1.962 0 40 EDAB CC(=O)NCc1cccc([C@H]2CCCN2C2CCN(C(C)=O)CC2)n1 257285997 PJSVVGUNGSQEGO-LJQANCHMSA-N 344.459 1.866 0 40 EDAB O=C(N[C@H](Cc1ccncc1)C(=O)O)c1ccnc(NC2CCC2)c1 1601423276 COQNGTJDINUCOM-OAHLLOKOSA-N 340.383 1.867 0 40 EDAB CNc1cnc(C[C@H]2CCCN(C(=O)CCn3ccnc3)CC2)cn1 257246842 IWBDVEOGRYQRCS-HNNXBMFYSA-N 342.447 1.976 0 40 EDAB Cc1ncoc1C(=O)N1CCC(Cc2cnc(CN(C)C)cn2)CC1 257299823 RRSROFCTJMYXAN-UHFFFAOYSA-N 343.431 1.930 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2c(C)noc2C)n1 257212778 CEXVLCRTSPOYRH-LBPRGKRZSA-N 331.376 1.645 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@@H](OCc4ccccn4)CCO3)C2)on1 253600791 ZLLLIHJWWZKGFA-HNNXBMFYSA-N 343.383 1.968 0 40 EDAB C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCOc1ccccc1Cl 269782869 AWFDOYYFJMOLDR-LLVKDONJSA-N 346.836 1.547 0 40 EDAB C/C(=C\c1ccccc1)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 271034140 JMPHZPFCIYFIHR-QCUIPMNBSA-N 334.485 1.895 0 40 EDAB COc1nccc(NC(=O)N2CCN(Cc3csc(C)n3)CC2)n1 276430986 HQMKWOJFGYCTKL-UHFFFAOYSA-N 348.432 1.600 0 40 EDAB Oc1nc2ccccc2n1C1CCN(C[C@@]23CN[C@@H](CO2)C3)CC1 1616039341 LITKNFYADVDGLN-FZKQIMNGSA-N 328.416 1.510 0 40 EDAB NS(=O)(=O)c1ccccc1CNC(=O)C[C@H]1CCCC1(F)F 1615037235 ICOWUHKFODPYIF-LLVKDONJSA-N 332.372 1.776 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CC[C@@H](Oc2ncc(F)cn2)C1 390827427 HBAVCMRKEOXBFA-GFCCVEGCSA-N 339.330 1.852 0 40 EDAB O=S1(=O)C[C@H]2NC(=S)N(CCc3c[nH]c4ccccc34)[C@@H]2C1 575424724 WEOBCXYMWUDYGN-ZIAGYGMSSA-N 335.454 1.066 0 40 EDAB O=S1(=O)C[C@@H]2NC(=S)N(c3nc4ccccc4s3)[C@H]2C1 575423402 FCPZETTYFPRZDY-IUCAKERBSA-N 325.440 1.156 0 40 EDAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O)c1ccc(F)cc1 585261610 VFQLKEBQPQHEJW-NCOADZHNSA-N 331.343 1.497 0 40 EDAB Cc1cncc(C(=O)N2CCn3cc(CC(=O)N(C)C)nc3[C@@H]2C)c1 585096325 INPJHTUOWXEEJP-ZDUSSCGKSA-N 341.415 1.434 0 40 EDAB COc1cc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)on1 585094153 JZFBFWCGEUULSE-UHFFFAOYSA-N 340.357 1.323 0 40 EDAB CC(C)n1cc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)cn1 585276264 FLHFRXZPQAUIBQ-IBGZPJMESA-N 343.427 1.910 0 40 EDAB O=C1CCCN1C[C@H]1CCn2nccc2CN1C(=O)C1CC=CC1 585097146 HTLLZFWAJAMTED-OAHLLOKOSA-N 328.416 1.573 0 40 EDAB CC(=O)N1CCC[C@H](NC(=O)c2cc[nH]n2)[C@@H]1Cc1ccccc1 585280543 KDWSEESVBJXFOW-RDJZCZTQSA-N 326.400 1.762 0 40 EDAB Cc1cc(-c2ncccc2CC2CCN(S(C)(=O)=O)CC2)n[nH]1 585180206 WEIPENHUQGCCRR-UHFFFAOYSA-N 334.445 1.994 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 68234866 LNANFZSDOYCRPT-JTQLQIEISA-N 342.446 1.831 0 40 EDAB CNC(=O)c1ccc(NC(=O)NCC(=O)Nc2cccnc2)cc1 69596903 XKINJMDKLQXIQA-UHFFFAOYSA-N 327.344 1.201 0 40 EDAB O=C(Nc1ccccn1)N1CCN(C[C@H](O)c2ccccc2)CC1 70009955 VSTVMGRTZPEDMD-INIZCTEOSA-N 326.400 1.965 0 40 EDAB CCOc1ccc(S(=O)(=O)CC(=O)N2CCO[C@H](C)C2)cc1 44947505 RGMANQLUEQKQMH-GFCCVEGCSA-N 327.402 1.106 0 40 EDAB CS(=O)(=O)CCNC(=O)c1ccn(-c2ccccc2Cl)n1 50584045 FAQXDTABQVNFLQ-UHFFFAOYSA-N 327.793 1.300 0 40 EDAB CN(c1ccn(C)n1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1 585115849 VWBNQTAGTSPLQF-HXUWFJFHSA-N 328.419 1.258 0 40 EDAB O=C(CN1CCC[C@@H](C(=O)N2CCOCC2)C1)Nc1ccccc1F 97024865 YNXMRMMOPBPCEB-CQSZACIVSA-N 349.406 1.335 0 40 EDAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)c1 13673626 GGDREPWGEBJEPS-AWEZNQCLSA-N 341.477 1.136 0 40 EDAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15595176 KDPUAXSMRJTMOE-UHFFFAOYSA-N 341.323 1.695 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](Oc3cccnn3)C2)CC1 225452596 TYWFWAQDESGYHY-OAHLLOKOSA-N 332.404 1.105 0 40 EDAB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1 4505252 QQXLLUDMSNRAEN-LLVKDONJSA-N 337.488 1.582 0 40 EDAB CC(C)S(=O)(=O)c1cccc(C(=O)N2CCNC(=O)C2(C)C)c1 12234765 KOJNQFFODPLEAZ-UHFFFAOYSA-N 338.429 1.219 0 40 EDAB COc1ccc(CN(C)C(=O)c2nc3nccc(C)n3n2)c(OC)c1 25595199 ADXLJLIARQNTGV-UHFFFAOYSA-N 341.371 1.722 0 40 EDAB CC1(S(=O)(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 582467722 MBCUHRFSFYHGED-UHFFFAOYSA-N 337.489 1.276 0 40 EDAB CCn1cncc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1=O 585129204 BHSCSTURKGFIPB-SNVBAGLBSA-N 335.385 1.387 0 40 EDAB CCOc1ccc(-c2nnn(CC(=O)NC[C@H]3CCCO3)n2)cc1 412076 GWWDFKFPTIWFDO-CQSZACIVSA-N 331.376 1.034 0 40 EDAB Cc1nc(N2C[C@@H]3CN(C(=O)C4CC=CC4)C[C@H]3C2)nc(O)c1F 1888844645 UTBUQIAXJMAZEW-STQMWFEESA-N 332.379 1.491 0 40 EDAB O=S(=O)(c1ccccc1F)N1[C@H]2CC[C@H]1CC(n1nccn1)C2 238971861 ZMJABTOKDRPBTF-RYUDHWBXSA-N 336.392 1.974 0 40 EDAB O=C(C1CC(O)C1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 1565553367 VUGQGKLNHBTWST-SLTAFYQDSA-N 346.431 1.200 0 40 EDAB O=C(NCc1ccco1)[C@@H]1C[C@H]2CCN(C(=O)C3(F)CC3)C[C@@H]2O1 1565545127 AIXAQNIGNGNTIN-XBFCOCLRSA-N 336.363 1.404 0 40 EDAB O=C(C[C@H](NCCCO)C(=O)O)Nc1cccc(C(F)(F)F)c1 5258052 MLDRPCXTWLFISL-NSHDSACASA-N 334.294 1.459 0 40 EDAB CC(C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055716050 UNGGIWMLEOUGAY-CYBMUJFWSA-N 332.448 1.890 0 40 EDAB O=C(N[C@@H]1CCc2onc(CN3CCOCC3)c2C1)c1cccnc1 2055734909 XMYPDJXDTRVTEL-CQSZACIVSA-N 342.399 1.189 0 40 EDAB CCCS(=O)(=O)N[C@@H]1CCc2onc(C(=O)NCC3CC3)c2C1 2055772313 VGFKCLWTIBASSB-LLVKDONJSA-N 341.433 1.001 0 40 EDAB CSc1ccccc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 43979778 XWPCZAXRPMPTBA-UHFFFAOYSA-N 342.486 1.810 0 40 EDAB O=S(=O)(Cc1cccc(F)c1)NCc1cn(-c2cccnc2)nn1 575619560 VYWFZOIWEQLDEH-UHFFFAOYSA-N 347.375 1.421 0 40 EDAB O=C(Cn1cnc(C2CC2)cc1=O)NC[C@H]1COc2ccccc21 585149981 GIHGMKWHGYJRFO-ZDUSSCGKSA-N 325.368 1.413 0 40 EDAB COC(=O)c1ccsc1NC(=O)c1nnn(-c2ccccc2)n1 75163372 NRGCSEDWWPNEJY-UHFFFAOYSA-N 329.341 1.763 0 40 EDAB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 36833358 INKXFRDSBNHYPJ-UHFFFAOYSA-N 346.364 1.989 0 40 EDAB COC(=O)c1ccccc1NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 103066602 WTKCCAIRLNYXHK-VXGBXAGGSA-N 344.367 1.587 0 40 EDAB CCOc1ccc(CC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 10415195 GAIVADZDPSGSKJ-UHFFFAOYSA-N 340.445 1.168 0 40 EDAB COc1ccc(S(=O)(=O)N(C2CCCC2)C2CC2)cc1C(N)=O 30339166 NFHYLOXKUKITCY-UHFFFAOYSA-N 338.429 1.890 0 40 EDAB COc1ccc2[nH]c(C)c(C(=O)CN3CCN(CCO)CC3)c2c1 20171852 USMVCXOIVBNUKJ-UHFFFAOYSA-N 331.416 1.278 0 40 EDAB O=C(NC[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc(O)c1 40285786 UFAXBFIEYUCQAN-CYBMUJFWSA-N 328.324 1.287 0 40 EDAB COc1ccc(NC(=O)c2sccc2C)cc1S(N)(=O)=O 40214671 SGFYDUJGVNPUAU-UHFFFAOYSA-N 326.399 1.965 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 51160906 DQOHDJXZZSUITF-QLFBSQMISA-N 345.509 1.447 0 40 EDAB C[C@H](NC(=O)COC1CCCCC1)c1ccc(S(N)(=O)=O)cc1 40553248 RDHOWJAITLWPCO-LBPRGKRZSA-N 340.445 1.861 0 40 EDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@H]1CCCO1 40540110 IGHDNFMKSHZFEE-GJZGRUSLSA-N 333.367 1.200 0 40 EDAB CN(CCCN1C(=O)CNC1=O)CC(=O)Nc1ccccc1Cl 40555879 GYARFFRBQWCTLF-UHFFFAOYSA-N 338.795 1.152 0 40 EDAB O=C(Nn1cnnc1S)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795821 LYXNFBMAGMXWRI-LBPRGKRZSA-N 343.412 1.179 0 40 EDAB COc1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 102684828 KYTXCSLDFMQCSI-KBXIAJHMSA-N 338.363 1.537 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NC[C@H]2Cc3ccccc3O2)c1 33111968 QDXJDYIVNQWUCC-CQSZACIVSA-N 346.408 1.328 0 40 EDAB Cc1cc(C)c(-n2nnn([C@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)c(C)c1 103000113 ZILGJTVKUBMBFG-LNSITVRQSA-N 346.412 1.979 0 40 EDAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)C1=NN(C)C(=O)CC1 53176986 YWEUZGBUVOPNBU-CYBMUJFWSA-N 345.399 1.673 0 40 EDAB CNC(=O)C1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 12334493 PGAFGZFRJDWIGK-UHFFFAOYSA-N 343.880 1.818 0 40 EDAB COc1ccccc1NC(=O)C[C@H](NCc1cccnc1)C(=O)O 195734 DUCULGYFXPFBSG-AWEZNQCLSA-N 329.356 1.662 0 40 EDAB Cc1nc(NCCC(=O)N2C[C@@H](C)O[C@H](C)C2)c2cnn(C)c2n1 54060999 YBWFPVQBBYWPTN-GHMZBOCLSA-N 332.408 1.110 0 40 EDAB CC(=O)NCCCCCC(=O)N[C@H]1CCCN(c2ncccn2)C1 54016303 HFPXFNMFVRYRCI-HNNXBMFYSA-N 333.436 1.258 0 40 EDAB Cc1cc(C)n(-c2cncc(N3CCN(C(=O)C(C)(C)C)CC3)n2)n1 78979683 PVWCZRMMEPTQDX-UHFFFAOYSA-N 342.447 1.974 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1scnc1C 104470320 SVELTURAIMPXJP-NSHDSACASA-N 331.463 1.272 0 40 EDAB CN1CC[C@@H](C(=O)N2CCN(c3ncccc3Cl)CC2)CC1=O 54100310 RFSFYKAJMGECBL-GFCCVEGCSA-N 336.823 1.252 0 40 EDAB C[C@@]1(CNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CCCO1 79070203 CFSOFUUGPPGSBF-LPHOPBHVSA-N 330.428 1.905 0 40 EDAB CC[C@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)N1CCCC1 42499529 XDYFLJOOGTUIKV-OAHLLOKOSA-N 345.443 1.941 0 40 EDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3594695 BWGUHLRUDOQZAP-KPZWWZAWSA-N 329.400 1.685 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)C2)n1 54674094 KPHWNCNORBFWIG-KGLIPLIRSA-N 334.420 1.589 0 40 EDAB Cc1cc(NC(=O)CN2c3ccccc3[C@@H](C(N)=O)C[C@H]2C)on1 106566335 CFSFFEMVXQIKET-YPMHNXCESA-N 328.372 1.789 0 40 EDAB CC(C)C(=O)N1CCCN(S(=O)(=O)N(C)[C@H](C)C2CC2)CC1 106670599 XBHRSTLTUNQXDZ-CYBMUJFWSA-N 331.482 1.152 0 40 EDAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NN1Cc3ccccc3C1=N)OC2=O 100931595 RRWDHNIYNFXVTN-ROUUACIJSA-N 327.384 1.981 0 40 EDAB COc1ccc(CNc2nc3[nH]c4c(c(=O)n3n2)CCC4)cc1OC 100641657 RDIWMOLAGJPEBJ-UHFFFAOYSA-N 341.371 1.536 0 40 EDAB O=C(CNC(=O)c1ccc(Br)o1)Nc1c[nH]ccc1=O 47929753 YUJQCMWWKKZDIY-UHFFFAOYSA-N 340.133 1.099 0 40 EDAB O=C1CCCN1C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 3278874 ADVWQWMPKVJNQB-UHFFFAOYSA-N 347.352 1.706 0 40 EDAB Cn1c(S)nnc1CNC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 108894674 PEISICNMVPPIGL-GXTWGEPZSA-N 332.429 1.888 0 40 EDAB CCc1nnsc1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 48261416 VEILGAWCEACESP-UHFFFAOYSA-N 346.460 1.177 0 40 EDAB CCOC(=O)[C@H]1CCCN(CC(=O)NCc2ccccc2OC)C1 10052780 DWUCQSAKERVMED-HNNXBMFYSA-N 334.416 1.587 0 40 EDAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCNc1ccccc1 10049271 XTVYCQLBVZQJFL-UHFFFAOYSA-N 338.371 1.097 0 40 EDAB CC(=O)N1CCN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C)CC1 27477682 MLMGGLXETGNQMV-UHFFFAOYSA-N 343.431 1.704 0 40 EDAB CN(C)c1ccc(NC(=O)N2CCN(c3cnccn3)CC2)cn1 48262045 ZZAPHQPSQRSVDF-UHFFFAOYSA-N 327.392 1.292 0 40 EDAB CC(C)COc1ccc(C(=O)NCC(C)(C)N2CCN(C)CC2)cn1 58162705 MLHZJXXJQQDDLW-UHFFFAOYSA-N 348.491 1.872 0 40 EDAB CC(C)OC(=O)CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 58168060 OJDGXAWGXSKMAW-KRWDZBQOSA-N 330.428 1.987 0 40 EDAB CCOC(=O)c1cnc(S[C@@H](C(=O)N(C)C)C(C)C)nc1N 58203423 KMAQIXCTZGAQRU-SNVBAGLBSA-N 326.422 1.440 0 40 EDAB CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCO1 44966442 QJZRCQFMPGAELD-AAEUAGOBSA-N 341.433 1.215 0 40 EDAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)cc1OC 44966162 IKWLBMSSDZHAKB-GHMZBOCLSA-N 329.418 1.623 0 40 EDAB Cc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(F)cc2)no1 3313541 JNPRTPHZAVAVGO-UHFFFAOYSA-N 335.291 1.034 0 40 EDAB COCCN(C)CCCNC(=O)[C@H](C)Oc1ccc(F)c(F)c1 58393275 SORQSKRTNVNWAD-LBPRGKRZSA-N 330.375 1.817 0 40 EDAB Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2nnnn2C2CC2)o1 58433577 CJXGPRNYTZSQRL-HNNXBMFYSA-N 337.387 1.999 0 40 EDAB COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)C(C)(C)C)c1 3325975 GPWBUBPCQONCLC-UHFFFAOYSA-N 337.372 1.592 0 40 EDAB COc1ccc(Br)cc1CNC[C@H]1CCS(=O)(=O)C1 37982531 SXHWZQDKLKEBIQ-SNVBAGLBSA-N 348.262 1.982 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)o1 36392563 KSHTZXPUGFFYCV-UHFFFAOYSA-N 328.777 1.771 0 40 EDAB Cc1ccc(Cl)cc1NC(=O)C[C@H]1SC(NC(=N)N)=NC1=O 20636311 LACHKOPLZAGWST-SECBINFHSA-N 339.808 1.458 0 40 EDAB O=C(NCCOc1ccc(F)cc1)N1CCN(c2ncccn2)CC1 28995153 KIIQTPURMRPAOR-UHFFFAOYSA-N 345.378 1.526 0 40 EDAB NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nncs1 11577995 VPLQCLIQQJSEBI-UHFFFAOYSA-N 336.442 1.534 0 40 EDAB CC(C)(C)NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 11591254 HYJZWWPYLVXKDM-KRWDZBQOSA-N 331.372 1.131 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1 29206711 GDTDGEPVWYCFPT-VIIAAUOXSA-N 326.393 1.379 0 40 EDAB Cc1cc(N2CCN(C(=O)c3cnn(C)c3C)CC2)nc(C(C)C)n1 29953548 LQUSRLAEGGXDIZ-UHFFFAOYSA-N 342.447 1.913 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 29974400 GBQOBDZQWVOTLY-NSHDSACASA-N 336.335 1.518 0 40 EDAB Cc1ncc(CN(C)C(=O)Cn2cnc3sccc3c2=O)s1 46770796 POFPMANTTNTBHA-UHFFFAOYSA-N 334.426 1.882 0 40 EDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 48603917 SIAQKQAXTLXLFE-LLVKDONJSA-N 345.355 1.358 0 40 EDAB O=S(=O)(c1ccccc1CNCc1ccco1)N1CCOCC1 48710244 RTYCYRWNRQIEOW-UHFFFAOYSA-N 336.413 1.590 0 40 EDAB CCCN(C)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 63601879 OVMAAGPGVBBZMI-SFHVURJKSA-N 329.400 1.854 0 40 EDAB O=C(NCCNC(=O)N1CCc2c(F)cc(F)cc2C1)c1ccn[nH]1 96002215 CXOVWPIXUMYFRB-UHFFFAOYSA-N 349.341 1.186 0 40 EDAB OC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@H](N2CCCC2)[C@@H]1O 20465053 KIVRCGBCMAEGIY-LTIDMASMSA-N 340.851 1.015 0 40 EDAB biogenic,in-vitro O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1cccc(O)c1 49543113 DOMSQBWWIOQTAW-BBRMVZONSA-N 331.416 1.711 0 40 EDAB biogenic CCOC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccn1 13732476 MLWIOHYOZKUBJT-UHFFFAOYSA-N 327.340 1.513 0 40 EDAB CCC[C@H](C)N1C[C@H](C(=O)NCCNC(=O)c2ccoc2)CC1=O 65412889 DKRBXLUOQYGXBU-GXTWGEPZSA-N 335.404 1.163 0 40 EDAB CC(=O)[C@H]1CC(C(=O)N[C@H](C)Cn2ccnc2)=NN1c1ccccc1 65587735 AKXPKACUGQLMPH-CXAGYDPISA-N 339.399 1.612 0 40 EDAB Cc1csc(N2CCN([C@@H](C(N)=O)c3ccc(F)cc3)CC2)n1 65589507 FTNQHHDTEIYYFQ-CQSZACIVSA-N 334.420 1.939 0 40 EDAB COC(=O)c1sccc1NC(=O)[C@H]1CCCN(C(=O)OC)C1 65502424 HHWPPCQSLTYUPN-VIFPVBQESA-N 326.374 1.952 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(c2ccccn2)CC1 6434925 MTTDHLRHPLWHEF-UHFFFAOYSA-N 349.394 1.140 0 40 EDAB CCN(CC)S(=O)(=O)NC[C@H]1CCN(CCc2ccccc2)C1 65626634 FWPLKBRTMIPLPU-QGZVFWFLSA-N 339.505 1.727 0 40 EDAB Cc1ccc(-c2nc(-c3c(N)n(C)c(=O)n(C)c3=O)cs2)cc1 14240482 FAAANKAGBUNPEJ-UHFFFAOYSA-N 328.397 1.765 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H](C)n2c(=O)oc3ccccc32)c(=O)[nH]1 14317729 GQTDIFHCZRMNIJ-LBPRGKRZSA-N 341.367 1.777 0 40 EDAB COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3c[nH]nc3C)C2=O)c1 93840891 QCCKBGSUXSBOOH-QGZVFWFLSA-N 344.415 1.973 0 40 EDAB CC(=O)Nc1cc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)ccc1C 66383517 OLOYSEYDBHCJQN-UHFFFAOYSA-N 343.387 1.490 0 40 EDAB CCN(C)C[C@H]1CCN(C(=O)c2ccccc2CN2CCOCC2)C1 97212735 FEWCUIWWTWVWQC-QGZVFWFLSA-N 345.487 1.933 0 40 EDAB CC[C@H]1CN(C(=O)Cc2c(C)noc2Cl)C[C@H]1N1CCOCC1 84735890 VWQOVFQCWMQXKX-GXTWGEPZSA-N 341.839 1.748 0 40 EDAB COc1ccc(OC)c(NC(=O)COC(=O)c2c(C)noc2N)c1 7249554 FDVKKXMKIQNWLI-UHFFFAOYSA-N 335.316 1.378 0 40 EDAB CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 96437400 GSVBLIPFJOGLQS-FDQGKXFDSA-N 333.453 1.784 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](C)CN2CCN(C)CC2)c(F)c1 96424117 MRQBYKSOCUREFK-CQSZACIVSA-N 343.468 1.296 0 40 EDAB CCCCN(C(=O)c1ccco1)c1c(N)n(CCC)c(=O)[nH]c1=O 7973839 HIAAXGKGDSOTEA-UHFFFAOYSA-N 334.376 1.569 0 40 EDAB CC(C)NC(=O)CNS(=O)(=O)c1ccc(Br)s1 8058281 ABRLTZPHTBUAIX-UHFFFAOYSA-N 341.252 1.314 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)Cc2ccc(-n3cccc3)cc2)CC1 71871225 YEMRZFBUPUQOSL-MRXNPFEDSA-N 327.428 1.545 0 40 EDAB COC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 71874884 WSMXUVKXHPCUJH-GFCCVEGCSA-N 325.386 1.115 0 40 EDAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)NC[C@H]1CCCO1 8265535 ZCXZEOOQJIWMRI-CMPLNLGQSA-N 325.438 1.564 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)NCC[S@@](=O)C(C)(C)C)cc1 70009110 ILAJIQCYQWHXSE-PSLXWICFSA-N 342.461 1.575 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)NCc1cccc(OCC(F)F)c1 69323333 QEIURBZQBQGIOB-GFCCVEGCSA-N 347.383 1.772 0 40 EDAB CCCN(CC)c1ccc(C(=O)Nc2cnn(CC(N)=O)c2)cc1 69349987 CVLLJTXXMTVEFI-UHFFFAOYSA-N 329.404 1.857 0 40 EDAB COC(=O)[C@H](C)NC(=O)c1ccc(C)c(I)c1 69451719 GZCYLFSUJMIFBH-QMMMGPOBSA-N 347.152 1.891 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@@H]2Cn2cccn2)CN1Cc1ccco1 71866427 IICVEJPCQBANIL-LSDHHAIUSA-N 342.399 1.516 0 40 EDAB O=C(CN1C(=O)CNC1=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 71822690 KQKUCFHHOPSBHJ-LLVKDONJSA-N 342.355 1.086 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCC(=O)N(C)Cc1ccccc1 71853489 IDPXMPHJEZEGEC-HOCLYGCPSA-N 345.443 1.314 0 40 EDAB O=C(CNC(=O)NCCOc1ccc(F)cc1)NCC(F)(F)F 69615505 NZYKONOHWJAEIX-UHFFFAOYSA-N 337.273 1.182 0 40 EDAB COCCCN1CCCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1 69707648 INQDGSCOAYOQIG-UHFFFAOYSA-N 344.452 1.867 0 40 EDAB CCOC(=O)CN(C)C(=O)CSc1nc(C)c(C)n1CCOC 69702046 UDVCAVBPPWRXOO-UHFFFAOYSA-N 343.449 1.260 0 40 EDAB CCc1nc2n(n1)C[C@H](NCC(=O)N1CCc3ccccc31)CC2 69819511 BAFUTLAQWCXEHL-CQSZACIVSA-N 325.416 1.334 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)NCc3ccccn3)C2)n1 69841331 CUEQEDYUVQLBBV-INIZCTEOSA-N 342.447 1.318 0 40 EDAB COc1ccc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)c(C)c1 69898371 MVZYGJMBUQOJLP-UHFFFAOYSA-N 333.432 1.885 0 40 EDAB O=C1C(=O)N(Cc2cn3ccsc3n2)C(=O)N1Cc1ccccc1 69895357 ATGJHFVYTAQZGY-UHFFFAOYSA-N 340.364 1.887 0 40 EDAB C[C@H](O)CN1CCN(C(=O)Cc2coc(-c3cccs3)n2)CC1 69980777 ACNZAFBXUGHQIS-LBPRGKRZSA-N 335.429 1.471 0 40 EDAB COC(=O)C[C@H](NC(=O)CNC(=O)c1ccco1)c1ccccc1 8884324 YMGOQFDNALNHCR-ZDUSSCGKSA-N 330.340 1.430 0 40 EDAB Cc1ocnc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO 95445949 SLJNYVSJVRFKNN-CVEARBPZSA-N 329.400 1.596 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC[C@@H]3CCCO3)c(C)c12 84005165 GNKDLOQVVZOPEB-ZDUSSCGKSA-N 346.431 1.496 0 40 EDAB CC(C)C(=O)c1ccc(S(=O)(=O)NCCNC(=O)N(C)C)cc1 95461664 ZAWUSFSBKRPUNJ-UHFFFAOYSA-N 341.433 1.075 0 40 EDAB CO[C@@H](C)CC(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 97046223 HPEJPKSOIXNLFY-ZANVPECISA-N 343.221 1.859 0 40 EDAB O=C(NCCn1cccc1)C1(C(=O)NCCn2cccc2)CCC1 97015357 WHESNVHYUYWPRK-UHFFFAOYSA-N 328.416 1.393 0 40 EDAB COCCNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 95942788 LBYFTLBWQYWLCJ-NSHDSACASA-N 332.809 1.456 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 95994972 ZNRFUQPWFAVSSA-ZDUSSCGKSA-N 338.408 1.827 0 40 EDAB CCS(=O)(=O)NCC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 89274429 XFCYRBVGZNYGJB-SNVBAGLBSA-N 334.825 1.163 0 40 EDAB COC(=O)[C@@]1(F)CCN(C(=O)NCCc2cc(F)ccc2F)C1 89396406 SRYJNQBYQVWCOF-OAHLLOKOSA-N 330.306 1.804 0 40 EDAB COc1cc(/C=C/C(=O)N2CCN(C)C[C@H]2C)cc2c1OCCO2 89937700 YRONRJLZGUWOLK-MUBLQREKSA-N 332.400 1.642 0 40 EDAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(CO)C=C[C@@]2(C)O1 408975565 NCAYHYXERLHWRB-KFZJALRRSA-N 333.771 1.844 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)n1 61110275 RDVBRASKNVIHHJ-UHFFFAOYSA-N 340.427 1.886 0 40 EDAB COc1cc(C)c(S(=O)(=O)[C@@H](C)C(=O)N2CCCC2)cc1OC 69885441 VGTBCSCNLLTMQL-LBPRGKRZSA-N 341.429 1.797 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@@H]3C(=O)O)ccc12 518021 TWRFZSVEWADLBU-CYBMUJFWSA-N 331.324 1.556 0 40 EDAB biogenic O=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncccn2)CC1 17066289 IMUDEJBBRYIPSN-UHFFFAOYSA-N 341.371 1.237 0 40 EDAB NC(=O)CN1CCC[C@H](Cc2ccc(Nc3ccccc3)nn2)C1 72387250 SYMMDRZVPVNHRI-CQSZACIVSA-N 325.416 1.960 0 40 EDAB COc1cc(C(=O)NCc2cccc(C(=O)NC3CC3)c2)sn1 521396244 AXIWAJSGMLQJMX-UHFFFAOYSA-N 331.397 1.974 0 40 EDAB COc1ccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c(O)c1 78987002 LQMZVHXJOWVHBN-SNVBAGLBSA-N 332.278 1.294 0 40 EDAB COc1cccc(OCC(=O)NC[C@]2(OCCO)CCSC2)c1 1565519963 XXDQMNWIXBBXJO-MRXNPFEDSA-N 341.429 1.075 0 40 EDAB CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(OC)cc2)CC1 36394690 UQRRMRDAWNVQHT-AWEZNQCLSA-N 348.447 1.759 0 40 EDAB COc1cccc([C@H]2[C@@H](C(=O)Nc3nncs3)CC(=O)N2C)c1 72405855 IGXDKNLIFSNIHB-AAEUAGOBSA-N 332.385 1.705 0 40 EDAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)NCC4CC4)nc3c12 72335282 XWZWQJYKZUZOAX-UHFFFAOYSA-N 345.428 1.503 0 40 EDAB CCOCCCNC(=O)CN(CC)S(=O)(=O)c1ccc(C)cc1 39986839 BIQZZPLZRMLNLI-UHFFFAOYSA-N 342.461 1.548 0 40 EDAB CCN(CC)Cc1c(C(=O)c2ccc(F)cc2)c(=O)n(C)c(=O)n1C 36352898 MUUQPPUPPOQISW-UHFFFAOYSA-N 347.390 1.296 0 40 EDAB Cc1ccnn1CC(=O)N[C@H]1CCCc2c1cnn2-c1ccccn1 71195654 YUGHMUIEUCHKLP-HNNXBMFYSA-N 336.399 1.966 0 40 EDAB O=S(=O)(Nc1nnc(C2CC2)s1)c1cnn(-c2ccccn2)c1 72238907 SPVNAVNVVQQTLO-UHFFFAOYSA-N 348.413 1.797 0 40 EDAB CN1CCC[C@H](C(=O)NCc2ccccc2CN2CCCC2=O)C1 72880047 FTOKQJYNGVOEGE-KRWDZBQOSA-N 329.444 1.767 0 40 EDAB CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](OC(C)=O)C(=O)NC1CC1 71973237 UMBJIHSHCLDUFA-QWHCGFSZSA-N 328.409 1.890 0 40 EDAB CCc1oc(C(=O)O)cc1S(=O)(=O)NCc1cccc(CO)c1 568877531 MYGCWCDZXYUCDR-UHFFFAOYSA-N 339.369 1.511 0 40 EDAB Cc1cc(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)n(C)n1 40757604 OUTKSQWTXPWENY-UHFFFAOYSA-N 338.371 1.283 0 40 EDAB CCc1nn(C)c(CC)c1CC(=O)NS(=O)(=O)CC1CCCC1 195580199 XZMYFKOHCGGQIG-UHFFFAOYSA-N 341.477 1.724 0 40 EDAB CC(C)c1ccc(C(=O)N2CCN([C@H](C)c3nnnn3C)CC2)cc1 225544201 WUFYZFAFQHBPTJ-CQSZACIVSA-N 342.447 1.853 0 40 EDAB COc1cc(C)n(CCNC(=O)COc2ccc(F)cc2)c(=O)c1 225614495 LAAXJJMOWSORGR-UHFFFAOYSA-N 334.347 1.500 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H](Oc2cccnn2)C1 225413142 BIQGWWVPAKTQQX-LBPRGKRZSA-N 340.339 1.064 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 222438524 VZGODBFIWOLJDC-UHQDVWGKSA-N 348.374 1.413 0 40 EDAB Cc1nccn1CCNC(=O)c1ccnc(O[C@@H]2CCSC2)c1 225717763 IMLSGFOXHGLZGP-CQSZACIVSA-N 332.429 1.901 0 40 EDAB Cn1cc([C@H]2CS(=O)(=O)CCN2CCCc2ccsc2)cn1 331410739 GGLISIIVGMFDQG-OAHLLOKOSA-N 339.486 1.886 0 40 EDAB O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1nccs1)C2 96048700 FKOQEBBQCRIFCN-INIZCTEOSA-N 329.429 1.952 0 40 EDAB CC(C)N(C)C[C@@H]1CN(C(=O)c2cccn2C)Cc2nccn2C1 96188317 SINXPDJCGMZVTQ-HNNXBMFYSA-N 329.448 1.834 0 40 EDAB COC[C@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(OC)cc2)O1 96186632 FUJANIBJCHADRW-KBMXLJTQSA-N 341.429 1.652 0 40 EDAB Cn1cc(-c2ncnc3c2CCN(C(=O)c2cscn2)CC3)cn1 96255206 UAJXJFLKEWOUHR-UHFFFAOYSA-N 340.412 1.575 0 40 EDAB O=C(N[C@@H](c1nnn(CCn2cccn2)n1)C1CC1)c1ccccc1 96410933 GYEUCKMKEYKTGT-OAHLLOKOSA-N 337.387 1.451 0 40 EDAB O=C(COC[C@]12COC[C@H]1CN(Cc1ccccc1)C2)N1CCCC1 96108807 IKOUNHXXEMJPLM-QUCCMNQESA-N 344.455 1.774 0 40 EDAB Cc1nc(C(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)c(C)o1 579462218 UIWVJXKXWSFVLN-CQSZACIVSA-N 339.461 1.571 0 40 EDAB CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1ccoc1)C2 96056949 GKVYSHUJPUYLLG-AEFFLSMTSA-N 336.432 1.756 0 40 EDAB CN1C[C@H](c2nc[nH]n2)c2cc(C(=O)NCc3cccnc3)ccc21 96267724 JZLLFDPIQNQQPS-HNNXBMFYSA-N 334.383 1.711 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@@H]1c1nccc(NCC2CC2)n1 96218430 ANVDFTHUMPCUNU-CYBMUJFWSA-N 338.433 1.164 0 40 EDAB Cn1ccnc1CN1CC[C@H]2OCCN(Cc3cccnc3)[C@@H]2CC1 96249383 DIORRPHVVRVPHY-QZTJIDSGSA-N 341.459 1.681 0 40 EDAB CNC(=O)CO[C@H]1CO[C@@]2(CCCN(C(=O)c3ccc(C)cc3)C2)C1 96222304 OIFLITGWCBXTQX-APWZRJJASA-N 346.427 1.521 0 40 EDAB COCC(=O)N1CCC2(CC1)CO[C@@H](COCc1cccc(C)n1)C2 96106163 USIDKAVYYJPLFY-QGZVFWFLSA-N 348.443 1.951 0 40 EDAB Cn1cccc1CN1C[C@H](C(=O)N2CCOCC2)C2(CCOCC2)C1 96160153 DCYCXQVJDJOURN-QGZVFWFLSA-N 347.459 1.113 0 40 EDAB Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(S(C)(=O)=O)[C@H]3C2)n1 247867129 JGWNSJNZDWQWRX-BPUTZDHNSA-N 340.445 1.346 0 40 EDAB Cc1cc(N2CCN(c3n[nH]c(C)n3)CC2)nc(-c2ccccn2)n1 585092922 UKWKIYHSNCPBAB-UHFFFAOYSA-N 336.403 1.600 0 40 EDAB O=C1N[C@]2(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)C[C@H]3C[C@H]1[C@H]2C3 585090323 GFCSPRBDAJOZNA-RAVRGLNISA-N 344.802 1.747 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C1)OCC[C@@H]2CCNc1ccccn1 247331887 PDFBYLVEPCWFRU-ZDUSSCGKSA-N 337.445 1.467 0 40 EDAB COC(=O)[C@@H](NCCCNS(=O)(=O)Cc1ccccc1)C(C)C 585114698 SWMADGMDAVOKHD-HNNXBMFYSA-N 342.461 1.283 0 40 EDAB COC(=O)[C@H]1[C@@H](CN(C)CC(C)(C)CN2CCOCC2)C1(F)F 585116665 DRDUIBZLVWAELC-CHWSQXEVSA-N 334.407 1.331 0 40 EDAB CCc1noc(C)c1C(=O)N1CCO[C@@H](c2nccnc2N(C)C)C1 257324924 WQTPKMQOWNEVTK-CYBMUJFWSA-N 345.403 1.615 0 40 EDAB CN1CCN(C[C@]2(O)CCN(C(=O)c3ccccc3Cl)C2)CC1 257210450 BUQVDSLWPVDPCH-QGZVFWFLSA-N 337.851 1.164 0 40 EDAB COc1ccc(CC(=O)N2CCC[C@@]2(C(N)=O)c2cnccn2)cc1 257207299 BHDHDTQUENTSRU-SFHVURJKSA-N 340.383 1.031 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1ccsc1 257316760 VGWPVVVJESZOBX-KRWDZBQOSA-N 346.456 1.571 0 40 EDAB Cc1ccc(CN2CCC[C@@H](Cc3[nH]ncc3S(C)(=O)=O)C2)cn1 257299274 RPKADAWCHZKGFF-AWEZNQCLSA-N 348.472 1.971 0 40 EDAB C[C@H](NC(=O)/C=C/[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C(=O)O 255190105 VBBRMTRCWDVPFF-IJUHFESZSA-N 342.392 1.504 0 40 EDAB CC(=O)N1CCC(c2nccnc2CNC(=O)c2cnco2)CC1 257234124 GSGDALCOLBJAHM-UHFFFAOYSA-N 329.360 1.121 0 40 EDAB Cc1cc(C[C@H]2COCCN(C(=O)CCCn3cccn3)C2)ncn1 257224884 FDVAEKMBHZFYLE-MRXNPFEDSA-N 343.431 1.479 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1c1ccnc(-c2cncc(C(=O)O)c2)c1 257212967 CFPWCSAFEKLEOT-OAHLLOKOSA-N 347.396 1.938 0 40 EDAB CN(C)c1cc(C[C@@H]2COCCN(C(=O)c3ccncc3)C2)ncn1 257206562 BEAAGIMEMQTBEK-AWEZNQCLSA-N 341.415 1.269 0 40 EDAB O=C(CCCn1cccn1)NCc1ccnc([C@H]2CCCOC2)n1 257251683 JRSLNRQIQXDWKE-AWEZNQCLSA-N 329.404 1.664 0 40 EDAB CCN(CC)S(=O)(=O)N(C)[C@H]1CCCN(c2ccccn2)C1 257233115 GNWYZSQCCDCDDJ-AWEZNQCLSA-N 326.466 1.569 0 40 EDAB Cc1cc(-c2nccnc2[C@@H]2CCCN2S(=O)(=O)N(C)C)[nH]n1 257269169 MOVZJRLBUZFBQG-LBPRGKRZSA-N 336.421 1.118 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1ccnn1C 257217891 DBAIHBMZGVDUAQ-INIZCTEOSA-N 342.399 1.474 0 40 EDAB Cc1csc(C(=O)N(C)C[C@@]2(O)CCN(c3ncccn3)C2)c1 257203497 AQIKXLSVYDJIER-INIZCTEOSA-N 332.429 1.560 0 40 EDAB Cc1ccc(Cl)cc1CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1 252478849 AWCVISZDDQGILZ-CYBMUJFWSA-N 330.837 1.977 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cnccn1 253473315 UDMQRBSIJGJMAR-LLVKDONJSA-N 337.305 1.899 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2cnn(C)c2C)n1 257270110 MSVDPFHBZMPQOG-INIZCTEOSA-N 328.420 1.492 0 40 EDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)C2CCN(C)CC2)n1 257311387 UJEYRPMWVGHANB-KRWDZBQOSA-N 345.447 1.118 0 40 EDAB CC(C)Cc1cc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)on1 257243696 IIDYBYRUQSSWAN-GJZGRUSLSA-N 332.404 1.908 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(S(=O)(=O)Cc3ccccc3)CCO2)n1 257300882 RWAWUIGYYSJYDN-AWEZNQCLSA-N 349.412 1.394 0 40 EDAB C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 262876920 MZKQTFOGXAODJY-ZCFIWIBFSA-N 327.280 1.521 0 40 EDAB CCn1ncc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1C 1615586812 SJQVZGOLGQRUQS-ZBFHGGJFSA-N 327.388 1.308 0 40 EDAB O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)OCc1cccnc1 390828403 AWBNIJWLNLLZKP-ZDUSSCGKSA-N 339.359 1.024 0 40 EDAB CC[C@H](C(=O)NCc1nc(N(C)C)nc(N(C)C)n1)c1ccccc1 575603251 BLGLWYPHAOTSAM-AWEZNQCLSA-N 342.447 1.814 0 40 EDAB Cn1nccc1/C=C/C(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 585288822 AOSRQVOUUHNHSB-QDIARDEESA-N 342.399 1.306 0 40 EDAB Cn1c(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)cc2cc(F)ccc21 585182248 KMJOVMKMBWTCOP-IAGOWNOFSA-N 331.391 1.599 0 40 EDAB Cc1ncc(C(=O)N2CC[C@](O)(COc3ccccc3)C2)c(O)n1 585276073 JCBHBIRCVOGXFL-QGZVFWFLSA-N 329.356 1.147 0 40 EDAB CN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O 585280299 DSFJNAQENXYFPY-NUJGCVRESA-N 326.396 1.466 0 40 EDAB CC1CC(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)C1 585110597 CXKUQQMVMYALIF-UHFFFAOYSA-N 344.459 1.730 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CCC[C@H](OC)[C@@H]1CCC(N)=O 585276978 FGAXEORRYXBUDS-RDJZCZTQSA-N 348.443 1.818 0 40 EDAB CNC(=O)C[C@@]1(COC)CCCN1S(=O)(=O)c1ccc(C)cc1 585277619 JIXMZVJKQGVPAG-MRXNPFEDSA-N 340.445 1.301 0 40 EDAB Cc1ccsc1CN1Cc2ccnn2[C@@H](CNS(C)(=O)=O)C1 585111702 FYSHGCNGOIFWNJ-ZDUSSCGKSA-N 340.474 1.359 0 40 EDAB CC[C@@H]1CN(C[C@H](O)COc2ccc(F)cc2)CCN1CCOC 69738888 NNRYZMIDONPKPZ-SJORKVTESA-N 340.439 1.608 0 40 EDAB CCO[C@@H]1C[C@](O)(CNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)CN3C2)C1(C)C 1548691136 KSCNBOHWSWQFSA-FDQIELQPSA-N 338.492 1.789 0 40 EDAB Cc1nc(CCNC(=O)NCc2nnc3n2CCCCC3)cs1 43779601 ZVVMDMGUPRFMQS-UHFFFAOYSA-N 334.449 1.811 0 40 EDAB Cc1cc(Br)ccc1S(=O)(=O)NCCn1ccnc1 133234454 UIPMYFPKVISMBT-UHFFFAOYSA-N 344.234 1.933 0 40 EDAB O=C(NCCc1nccn1C(F)F)NCCc1nccn1C(F)F 58324216 MOGMDYONTVWVFG-UHFFFAOYSA-N 348.304 1.954 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCC(F)(F)F 56103898 PWTXQPHKVOUIGK-UHFFFAOYSA-N 348.705 1.436 0 40 EDAB COC(=O)[C@]1(F)CCN(C(=O)NCCc2cc(F)ccc2F)C1 89396404 SRYJNQBYQVWCOF-HNNXBMFYSA-N 330.306 1.804 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 95947291 AQFMMMSJKUQRTK-CYBMUJFWSA-N 333.407 1.180 0 40 EDAB c1ccc(CN2C[C@H]3[C@@H](NCCN4CCOCC4)CC[C@H]3C2)cc1 215656017 XLPNKMBUYSNUTG-ZCNNSNEGSA-N 329.488 1.819 0 40 EDAB COC(=O)Cc1cc(=O)[nH]c(N2CCN(c3ccc(C)cc3)CC2)n1 14608516 DCFHMTXVTBOYFS-UHFFFAOYSA-N 342.399 1.120 0 40 EDAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc(NC(C)=O)cc1 17071971 BJDQRAHHPOUNSB-ZDUSSCGKSA-N 345.355 1.167 0 40 EDAB CNc1cc([C@@H]2CCCNC2)nc(CN(C)C(=O)COC(C)C)n1 19709996 YGMAXTSANWAXRU-CYBMUJFWSA-N 335.452 1.369 0 40 EDAB CC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(C)c1 19929568 IVFAZTQUSUNIJS-CYBMUJFWSA-N 342.461 1.929 0 40 EDAB C[C@H](CC(=O)N1CC(S(=O)(=O)C2CCCCC2)C1)n1ccnc1 206583958 MUJVNYCDRCLYBL-CYBMUJFWSA-N 339.461 1.793 0 40 EDAB Cc1nnc2sc(SCC(=O)N3CCCCCC3)nn2c1=O 4347039 VCZRBQIQOSBCCG-UHFFFAOYSA-N 339.446 1.349 0 40 EDAB O=C(COC(=O)/C=C/c1ccco1)NC[C@@H]1COc2ccccc2O1 4960798 QKSNFAXQOTVHDO-HSBSLETESA-N 343.335 1.792 0 40 EDAB CC(C)c1nsc(N2CCC(NS(=O)(=O)C3CC3)CC2)n1 1889108831 DCKNJJXQGOTGSA-UHFFFAOYSA-N 330.479 1.712 0 40 EDAB O=C(NCc1nc(-c2cccnc2O)no1)NCc1cccs1 238877683 OLVLJPPVDAFLQM-UHFFFAOYSA-N 331.357 1.898 0 40 EDAB CCCc1nnsc1C(=O)N1CCC(N2C(=O)COC2=O)CC1 240067944 SEFPPEAVQYQCTO-UHFFFAOYSA-N 338.389 1.074 0 40 EDAB O=C(c1ccns1)N1C[C@H]2CCN(c3ncccn3)CC[C@H]2C1 2056223777 AHARQKJJUZWUHR-BETUJISGSA-N 329.429 1.922 0 40 EDAB CC1CC(C(=O)N2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)C1 1614928718 KGMUNXWKUUDMBB-JXQTWKCFSA-N 344.477 1.122 0 40 EDAB CC(C)N(C)CC(=O)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 1565551769 KKALWADTLITCNX-MAUKXSAKSA-N 347.463 1.379 0 40 EDAB O=C(CCc1ccccc1Br)NC[C@@]1(O)CCOC1 270084380 LUGIJFLWRAUBAF-AWEZNQCLSA-N 328.206 1.649 0 40 EDAB Cc1c(O)nc2nnc(SCC(=O)NCc3ccco3)n2c1C 4250410 QGSXPEPNSQJCSR-UHFFFAOYSA-N 333.373 1.448 0 40 EDAB CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cccn2C)n2nnnc2N1 4770175 OGMILVJHOABXAR-MRXNPFEDSA-N 349.398 1.617 0 40 EDAB CN1CC2(CN(C(=O)c3ccnc(C(F)(F)F)c3)C2)c2nccnc21 2055793419 BGBJQGXEGNBCDZ-UHFFFAOYSA-N 349.316 1.734 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](Oc2cnccn2)C1 225477217 YFTNZTXOITVITJ-LBPRGKRZSA-N 338.389 1.314 0 40 EDAB CCOc1cc(CNC(=O)[C@H](C)n2nc(C3CC3)ccc2=O)ccn1 585149934 CZSXPYFOYZWTHG-LBPRGKRZSA-N 342.399 1.792 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)NCC(=O)OCc1ccccc1 585149565 HBJIWCAWLQKDTC-DZGCQCFKSA-N 332.400 1.254 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@]2(O)C=CCCC2)cc1F 606440499 ZWFPXAQTPWMYLS-HNNXBMFYSA-N 329.393 1.974 0 40 EDAB CN1CCc2nc(NC(=O)CCNC(=O)c3ccco3)sc2C1 32666621 PPDBNMSKXZMARZ-UHFFFAOYSA-N 334.401 1.483 0 40 EDAB O=C(CCc1ccccc1O)NCc1cccnc1N1CCOCC1 31327529 YYPVBTITMHBHAH-UHFFFAOYSA-N 341.411 1.873 0 40 EDAB CCOC(=O)[C@H](N)CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100566598 YWBAIGPKLVDRPY-NEPJUHHUSA-N 340.376 1.081 0 40 EDAB biogenic O=C(CN1CCOCC1)Nc1ccc(I)cc1 20432474 QQZILBZQEZZWFF-UHFFFAOYSA-N 346.168 1.562 0 40 EDAB CN(C)c1ccc(NC(=O)NC[C@@H](O)COc2ccccc2)cn1 40540802 LVZNBYOZQUYANN-CQSZACIVSA-N 330.388 1.709 0 40 EDAB Cn1nc(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c2ccccc2c1=O 40553835 KKKDHFDVZULHLP-IAGOWNOFSA-N 341.411 1.646 0 40 EDAB CN(C)C(=O)CCS(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 40528544 ZKRLNBDYMFSZIX-UHFFFAOYSA-N 333.793 1.462 0 40 EDAB CCN1CC[C@@H](CNC(=O)c2ccc(-n3nc(C)cc3C)nc2)C1 101689321 DKVBRECODUQNHF-HNNXBMFYSA-N 327.432 1.956 0 40 EDAB O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)c1cn(Cc2ccccc2)nn1 101701069 PJAHUQBIPBAVJE-SDADXPQNSA-N 340.383 1.556 0 40 EDAB CCOc1cc2c(cc1CNC(=O)Cn1cccnc1=O)O[C@@H](C)C2 32713684 LDZYVLSNYVMONT-LBPRGKRZSA-N 343.383 1.282 0 40 EDAB CC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccccn3)ccc21 21938806 PNMWUSQPMBNERT-UHFFFAOYSA-N 339.351 1.786 0 40 EDAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc2c(s1)CCOC2 103081382 SEERSZYAXBUIDB-NSHDSACASA-N 340.470 1.814 0 40 EDAB CC(C)[C@H](CNC(=O)CCN1CCSC1=O)N1CCOCC1 42028962 QWYYLPMKPVJTMD-ZDUSSCGKSA-N 329.466 1.018 0 40 EDAB COc1ccc(CC(=O)Nc2cccc(OCC(N)=O)c2)cc1F 22754146 ZWSLBWDMHRWDFU-UHFFFAOYSA-N 332.331 1.880 0 40 EDAB C[C@H](NC(=O)NCCN1CCOCC1)c1ccc2c(c1)OCCCO2 47618226 KEPHPBVJINTCHB-AWEZNQCLSA-N 349.431 1.540 0 40 EDAB Cc1ccc(CCn2cnc3c(N(CCO)CCO)ncnc32)cc1 1609792 LPFRHLZKDVHXTH-UHFFFAOYSA-N 341.415 1.168 0 40 EDAB CC[C@H](CCO)CNC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 79074365 IETQRZFUHPXBLH-WBVHZDCISA-N 332.444 1.868 0 40 EDAB COCCOc1ccccc1C(=O)NC1CCN([C@H]2CCOC2)CC1 79110206 UGQGMDRPDNIBQL-INIZCTEOSA-N 348.443 1.695 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)c3c[nH]c4ccccc34)nn12 3372660 NDNVXDSYCAHCSA-UHFFFAOYSA-N 335.323 1.954 0 40 EDAB CCOC(=O)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)cc1 4041731 HFONFDOIGODJRZ-KHSSZTOVSA-N 343.335 1.234 0 40 EDAB biogenic CC(=O)N1CCC(CNC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 105075258 PSLAJKNEALMUQM-GOSISDBHSA-N 346.475 1.847 0 40 EDAB COC(=O)c1ccc2nc(NC(=O)CSc3ncn[nH]3)sc2c1 4523938 KJPBIKRBCNWKRT-UHFFFAOYSA-N 349.397 1.932 0 40 EDAB COC(=O)c1cc(Nc2cc(C)nc3ncnn23)cc(C(=O)OC)c1 4822972 OTFGZSJMWUGSAI-UHFFFAOYSA-N 341.327 1.750 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCCC[C@H]2Cn2ccnn2)c1 95456732 MAMKFYBVFOFFSV-AWEZNQCLSA-N 330.388 1.990 0 40 EDAB CS(=O)(=O)N1CCCN(Cc2ccc(F)c3cccnc23)CC1 24680667 RZYPRUOKTJMQHX-UHFFFAOYSA-N 337.420 1.841 0 40 EDAB COc1ccc([C@@H]2NC(=O)c3ccccc3N2CC(N)=O)cc1OC 24987794 RHAYUAOBHLCKNN-QGZVFWFLSA-N 341.367 1.438 0 40 EDAB Cc1ccc(NC(=O)Cn2c(=O)c3ccccc3n3nncc23)cc1 2688553 MUKYROOAOFVECF-UHFFFAOYSA-N 333.351 1.991 0 40 EDAB COCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 25056208 QCNSQTSWAORFNC-UHFFFAOYSA-N 338.429 1.684 0 40 EDAB Cc1cccc(N2C[C@H](C(=O)NCCn3ccnc3)CC2=O)c1C 43946484 RYSZJDDFZSBPJW-OAHLLOKOSA-N 326.400 1.669 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)C1 57364787 XMTSCLURFIGDNY-BZUAXINKSA-N 331.464 1.492 0 40 EDAB CCOC(=O)C(=O)N[C@H]1C[C@@H]2O[C@H]2C[C@@H]1c1ccc2c(c1)OCO2 104103887 GUVZNWNOHODRJR-PKIAMQTDSA-N 333.340 1.108 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 56037162 AHBHYAAOSATBHR-LBPRGKRZSA-N 347.433 1.474 0 40 EDAB O=c1c2nnn(-c3ccccc3)c2ncn1Cc1noc2c1CCCC2 108662787 SPMJSHHLASCNOZ-UHFFFAOYSA-N 348.366 1.892 0 40 EDAB C[C@H]1CN(CCNC(=O)COCCOc2ccccc2)C[C@@H](C)O1 48290052 MXKNMFALKOHDKR-IYBDPMFKSA-N 336.432 1.307 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)on1 27036276 HBIVJRJSUDXMJR-GHMZBOCLSA-N 344.371 1.992 0 40 EDAB C[C@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)N2CCOCC2)o1 48249475 ZCLWKHIMOQLRPA-SWLSCSKDSA-N 340.445 1.944 0 40 EDAB O=C(O)CCCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 2097677 SBPQEZOTICQLDJ-UHFFFAOYSA-N 345.351 1.642 0 40 EDAB biogenic CCOc1cccc(C(=O)Nc2nnc(S(=O)(=O)CC)s2)c1 27664204 KPOGJYJSJYJQFN-UHFFFAOYSA-N 341.414 1.983 0 40 EDAB Cc1nn(C)c(C)c1OCC(=O)Nc1ccc([S@@](C)=O)c(F)c1 95448194 JQOQOQCBJCUAGQ-QHCPKHFHSA-N 339.392 1.931 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 44909493 VRXCGZQUMRDHMO-NWDGAFQWSA-N 338.429 1.258 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)c2ccc(CNC(C)=O)cc2)CCO1 28036247 FHXOVUOMUQFXPB-CQSZACIVSA-N 326.418 1.122 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 3333943 OYUUSFWYOYPAGW-HNNXBMFYSA-N 342.399 1.403 0 40 EDAB O=C(NS(=O)(=O)N1CCc2ccccc21)c1cccc2cn[nH]c12 72275868 VIUSMDCVAZWYEQ-UHFFFAOYSA-N 342.380 1.600 0 40 EDAB Cc1ccc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)cc1C 10111384 COTCFPYNBLXKLA-UHFFFAOYSA-N 341.477 1.137 0 40 EDAB O[C@H]1O[C@@H]2CC[C@H]3[C@H]2[C@H]2[C@@H]4[C@H]3[C@@]35[C@@H]6[C@H]7[C@@H](CC[C@H]7O[C@H]3O)[C@H]([C@@H]46)[C@]125 104287139 LJFQEIKHNCSUHM-MBDHRTLWSA-N 328.408 1.211 0 40 EDAB CCC[C@@H](C)N1C[C@H](C(=O)NCc2cccc(NC(N)=O)c2)CC1=O 58571290 FRPNLFHYCYUQLC-TZMCWYRMSA-N 346.431 1.831 0 40 EDAB COC[C@H](C)NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10334594 YHARGUSHGMPAAO-UONOGXRCSA-N 342.461 1.609 0 40 EDAB COC(=O)[C@@H](NC(=O)c1cnc(C)cn1)c1ccc(OC)c(OC)c1 72296910 XHGKAOKUEDGTLI-HNNXBMFYSA-N 345.355 1.446 0 40 EDAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCC(=O)CC1 57050825 OQALQYBJKBJNOW-UHFFFAOYSA-N 343.383 1.866 0 40 EDAB CN(C[C@@H](O)C(F)(F)F)C(=O)CC1CN(C(=O)OC(C)(C)C)C1 95464854 LRGPWHCHGYOKEX-SNVBAGLBSA-N 340.342 1.625 0 40 EDAB COc1ccc(OC)c(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 103061733 SIDGIBQMEFLQAK-BETUJISGSA-N 344.367 1.594 0 40 EDAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCCC1 12849747 IQMBCASYOSTPIP-SFHVURJKSA-N 327.384 1.608 0 40 EDAB O=C(CNCCn1cccn1)NC[C@@H]1CCN(c2ccccc2)C1 72267771 VBXQCEYOODVRCJ-INIZCTEOSA-N 327.432 1.115 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)nc1 46925539 ZENLZMFVAYCHDC-NSHDSACASA-N 331.294 1.972 0 40 EDAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O 3596137 LBWPWYVRKUIWEV-SFHVURJKSA-N 345.399 1.093 0 40 EDAB NC(=O)c1ccsc1NC(=O)COc1ccc(-c2nnco2)cc1 13009529 DDGYSVCCUHNQQL-UHFFFAOYSA-N 344.352 1.915 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N(C)S(=O)(=O)CC)=C2 63552913 NLYBUCNNYDSOGW-UHFFFAOYSA-N 325.386 1.669 0 40 EDAB COC(=O)[C@H]1CS(=O)(=O)CCN1C/C=C/c1ccc(F)cc1 97165675 OYVXWLJKJWAQGL-BAABZTOOSA-N 327.377 1.111 0 40 EDAB COCCOc1ccc(S(=O)(=O)NCC(=O)OC(C)C)cc1C 65495272 JOOXKWZCZZSCPJ-UHFFFAOYSA-N 345.417 1.250 0 40 EDAB COc1cccc([C@H](CNC(=O)N[C@H](C)Cn2ccnc2)N(C)C)c1 65458038 VYHZTZKHCGHQGB-PBHICJAKSA-N 345.447 1.882 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)Cc2ccccc2)cc1 65528743 UCGDZMYWEBQZGM-CQSZACIVSA-N 349.412 1.059 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(F)cc1 14140979 AZDHBWHRVLCKMH-MRXNPFEDSA-N 327.359 1.676 0 40 EDAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccnc(C)n1 65620506 PZHBPMQYIOCVQP-MRXNPFEDSA-N 338.367 1.780 0 40 EDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(OC)cc2OC)c1 14381440 LWVARTUDJOPSSF-UHFFFAOYSA-N 346.339 1.291 0 40 EDAB O=C([C@@H]1CCCCN1C(=O)/C=C\c1ccccc1)N1CCOCC1 96292622 DJQRHBALLDCSRU-IBSYWUHOSA-N 328.412 1.940 0 40 EDAB COc1ccc(-c2noc(CN3CCCC[C@@H]3C(N)=O)n2)cc1OC 66563245 VLHLQYRZNGNDQB-GFCCVEGCSA-N 346.387 1.594 0 40 EDAB Cc1ccccc1Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C 7025390 ZNSGQXHEMSPJKK-UHFFFAOYSA-N 349.456 1.878 0 40 EDAB CCN1C[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1=O 67361423 DEHMSOXCFCRHSP-ROUUACIJSA-N 343.471 1.883 0 40 EDAB CC(C)NS(=O)(=O)c1cc(C(=O)NCCCN(C)C)ccc1F 97213150 ZAEIHOCXNQJGCW-UHFFFAOYSA-N 345.440 1.194 0 40 EDAB Cc1ccc(OC[C@H](O)CN[C@H]2CCCN(c3cccnn3)C2)cc1 71859686 PWNYCYUTHGOXCI-DLBZAZTESA-N 342.443 1.783 0 40 EDAB O=C1OCCN1CCN1CCN(C(=O)c2c(F)cccc2F)CC1 69025792 BKZOAMYQDGUCDW-UHFFFAOYSA-N 339.342 1.175 0 40 EDAB COc1ccc(NC(=O)CCSC)cc1S(=O)(=O)N(C)C 8128528 IWTQSBHBCAGHCQ-UHFFFAOYSA-N 332.447 1.637 0 40 EDAB Cc1c(S(=O)(=O)Nc2nnc[nH]2)cnn1-c1ccccc1Cl 72913328 UYRFKVWRANFHHY-UHFFFAOYSA-N 338.780 1.753 0 40 EDAB CC(C)CN(CCN(C)C)C(=O)CCc1nc2ccccc2c(=O)[nH]1 71853855 CUJVQPDOEKFLFJ-UHFFFAOYSA-N 344.459 1.902 0 40 EDAB CN(CC(=O)Nc1cccnc1)C[C@H]1CCCN1c1cccnn1 71860085 MCKULIHRHKFPSK-OAHLLOKOSA-N 326.404 1.411 0 40 EDAB Cn1c(=O)n(CCC(=O)N2CCN3CCCC[C@H]3C2)c2ccccc21 71839873 JNAWKXYYSWMCRJ-HNNXBMFYSA-N 342.443 1.427 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccc(F)cc2c(=O)[nH]1 69570764 HIOJTTUGLMQSEX-SSDOTTSWSA-N 338.364 1.389 0 40 EDAB COc1ccc(OC[C@H](O)CN2CCC[C@@H]2Cn2cncn2)cc1 69696884 COXSEKZMBMAZJX-HUUCEWRRSA-N 332.404 1.191 0 40 EDAB CCCCn1nc(C)c(C(=O)N2CCN(C[C@@H](C)O)CC2)c1Cl 69656235 VNGWPUQBENOAHW-GFCCVEGCSA-N 342.871 1.784 0 40 EDAB CCc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)o1 69652877 NEXGXBRSYQRTBC-KBPBESRZSA-N 340.445 1.223 0 40 EDAB CCc1n[nH]c([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 83830192 GWXGHUCOGWLZBB-CQSZACIVSA-N 326.404 1.827 0 40 EDAB CCc1nc([C@H]2CN(C(=O)[C@H](C)N3CCCCCC3)CCO2)n[nH]1 83829724 KTWABIFAAPGXRS-UONOGXRCSA-N 335.452 1.532 0 40 EDAB CCc1n[nH]c([C@H]2CN([C@@H](C)C(=O)NCc3cccs3)CCO2)n1 83830062 UBOIRSBHJVMRNA-WCQYABFASA-N 349.460 1.507 0 40 EDAB NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCc2ccccc21 71916524 ADKTXWAZUWFGQR-UHFFFAOYSA-N 338.410 1.085 0 40 EDAB Cc1cc(C)n(C[C@H](C)NC(=O)c2sc(-c3nc[nH]n3)nc2C)n1 69816501 KOIPRGNEXYKGOS-VIFPVBQESA-N 345.432 1.868 0 40 EDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 8884418 YMMXIWJPQWQDIW-JTQLQIEISA-N 333.207 1.088 0 40 EDAB COCCN1C[C@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CC1=O 83902844 YOKCSEUKDXEJPS-OLZOCXBDSA-N 348.403 1.105 0 40 EDAB Cc1nc(COc2cccc(C(=O)N3CCc4[nH]ncc4C3)c2)no1 95442260 NRJPBOMKXKVXEF-UHFFFAOYSA-N 339.355 1.879 0 40 EDAB O=C(NCCc1nnc2n1CCCCC2)Nc1ccc2nn[nH]c2c1 95434478 VQDAXFZUVDQPIH-UHFFFAOYSA-N 340.391 1.640 0 40 EDAB CCSc1ccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)cn1 72287365 NTUODKOREFOVLC-ZDUSSCGKSA-N 331.445 1.936 0 40 EDAB CCOc1cccnc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 75093717 USDWAUQGJLGFOO-UHFFFAOYSA-N 326.356 1.923 0 40 EDAB Cc1ccccc1OC[C@@H](O)CN1CCN(c2ccncc2)CC1 89696708 HMNBBOGZFJOIGN-SFHVURJKSA-N 327.428 1.952 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2nccn3ccnc23)C1 89884732 QDUQHJTVLPUFAE-ZDUSSCGKSA-N 327.388 1.108 0 40 EDAB CC[C@@H]1CCC[C@@H](NC(=O)N(C)C[C@H](O)CN2CCN(C)CC2)C1 89948253 MKNGXSSEPOHQNJ-ZACQAIPSSA-N 340.512 1.205 0 40 EDAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccn(C)c(=O)c2)cc1 75572756 FLDOOTCKPXVBBT-CQSZACIVSA-N 330.340 1.340 0 40 EDAB c1ccc2c(c1)ncn2-c1ccc(-c2noc(Cn3cnnn3)n2)cn1 75609973 NFWWODWOCBXXHE-UHFFFAOYSA-N 345.326 1.505 0 40 EDAB CC(C)C[C@@](C)(CNC(=O)c1cnccn1)NC(=O)c1cnccn1 75612158 YHFGKOUDLHIMKV-KRWDZBQOSA-N 342.403 1.231 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccon3)C2)nc1 76314331 KFNQLZLKUJTQOI-CYBMUJFWSA-N 328.372 1.798 0 40 EDAB Cc1cnn(Cc2ccccc2F)c1NC(=O)[C@H]1CN(C)CCO1 183838650 JAVSFCWBJQIEPM-OAHLLOKOSA-N 332.379 1.648 0 40 EDAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1 27975664 OXHLRWZLAIIUKH-GDBMZVCRSA-N 337.441 1.636 0 40 EDAB O=C(N[C@H]1CCOC[C@@]12CCN(c1ncc(F)cn1)C2)N1CCCC1 306134509 NPKJPYAVBRKNHM-YOEHRIQHSA-N 349.410 1.407 0 40 EDAB O=C1CCCN1C[C@@H]1CC[C@]2(COCCN(C3CCOCC3)C2)O1 306132249 LCYGCDWWOWAORR-WMZOPIPTSA-N 338.448 1.038 0 40 EDAB COc1cncc(CCC(=O)N2C[C@@H](NC(=O)C3CC3)C(C)(C)C2)c1 1007768401 DCCKNURUZSSOEQ-MRXNPFEDSA-N 345.443 1.786 0 40 EDAB C[C@H](Cc1ccsc1)NS(=O)(=O)c1csnc1C(=O)O 516925326 NHSDILANXBKSKF-SSDOTTSWSA-N 332.428 1.812 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](O)C(=O)OC(C)(C)C)cc1 3851708 YMHMOFFBDWZNNQ-WCQYABFASA-N 329.418 1.364 0 40 EDAB biogenic CN(C)c1cc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)ccn1 72369435 CIBPTIICQAWPHK-INIZCTEOSA-N 332.448 1.186 0 40 EDAB CN(C)c1cccc(C[C@@H]2COCCN(C(=O)c3cc[nH]n3)C2)n1 72388166 ZMQXBYUJXKSIBN-ZDUSSCGKSA-N 329.404 1.202 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)c1C 72536388 FJHYZVIPXOZAOF-SNVBAGLBSA-N 333.392 1.569 0 40 EDAB Cc1ccccc1OC1CCN(S(=O)(=O)c2cn(C)cn2)CC1 72351125 QPDBCRIMYUOWIA-UHFFFAOYSA-N 335.429 1.961 0 40 EDAB O=C(O)CCCS(=O)(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 563070925 OKTBAFGPEPBPSM-ZDUSSCGKSA-N 349.355 1.533 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1cncc(CN)n1 72387940 DZIXINTXUOKJNP-ZDUSSCGKSA-N 337.405 1.066 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218461965 LMTPREMMWVSIDW-SGMGOOAPSA-N 331.821 1.359 0 40 EDAB COc1cc(C(=O)n2ncc3c2c(C)nn3C)cc(OC)c1OC 41123450 KCQIWNUFKMQJPL-UHFFFAOYSA-N 330.344 1.793 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N(C1CC1)[C@@H]1CCc2ccccc21 72046934 IHOZDIFPZQFHBK-OAHLLOKOSA-N 325.368 1.215 0 40 EDAB O=C(c1ccccn1)N1CC(n2cc(COc3ccccc3)nn2)C1 225276117 XYLOVQCPPGJISM-UHFFFAOYSA-N 335.367 1.949 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)c1ccc(C)cc1 41097889 NRINJIJNZTXPKZ-OAHLLOKOSA-N 334.416 1.819 0 40 EDAB C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2cnn(CC3CC3)c2)C1 195578894 BWTPQXWCOYJDOJ-ZIAGYGMSSA-N 340.493 1.692 0 40 EDAB COCCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 40639925 WELSIOVNJKDLIT-UHFFFAOYSA-N 326.418 1.383 0 40 EDAB CCS(=O)(=O)N1CCC(NCc2cnn(C(C)(C)C)c2)CC1 42922235 IYGDDEYRXRNFRJ-UHFFFAOYSA-N 328.482 1.542 0 40 EDAB Cc1cc(N2CCN([C@@H](C)C(N)=O)CC2)ncc1Br 195546279 CIPMXKFISDBFJJ-JTQLQIEISA-N 327.226 1.148 0 40 EDAB O[C@@H]1[C@@H](NCc2ccccn2)CO[C@H]1CN1CCC(F)(F)CC1 514289199 ZRBGJONFEXZNRV-SOUVJXGZSA-N 327.375 1.031 0 40 EDAB biogenic,in-vitro Cc1cc(C(=O)N2C[C@H]3C[C@@H]2[C@@H]3C(=O)NCCc2cccs2)no1 96083460 WAPHIGOEOJBFQR-KCPJHIHWSA-N 345.424 1.864 0 40 EDAB C[C@@H](C(=O)N[C@H]1CCN(C)C1=O)c1ccc(Br)s1 96431196 WHDJWRYDRYWHBP-SFYZADRCSA-N 331.235 1.961 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Cc2cnccn2)cc1 583621019 KAUBJEVSZFSERS-MJGOQNOKSA-N 341.411 1.926 0 40 EDAB C[C@H]1CC[C@H](CCC(=O)NC2CCN(c3nccn(C)c3=O)CC2)O1 583618479 ZXRSXIWFSLHLBN-DZGCQCFKSA-N 348.447 1.213 0 40 EDAB C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1cccc(-n2cccn2)c1 96443805 COWLOQKFVXEFRO-GFCCVEGCSA-N 325.372 1.658 0 40 EDAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]1C[C@@H]1C(=O)O 584907981 GTGUPWMXZWPTBT-CVEARBPZSA-N 327.384 1.950 0 40 EDAB Cn1nnnc1-c1cccc(S(=O)(=O)NCc2ccsc2)c1 96427718 HXGJAEYPKACNTP-UHFFFAOYSA-N 335.414 1.417 0 40 EDAB CN(C)CCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)c1cccc(Cl)c1 96183811 GQUZGHUDVVFCSP-LSDHHAIUSA-N 335.835 1.717 0 40 EDAB CCOc1c(F)cccc1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 96431119 NMAGSGSPOFBPAI-LBPRGKRZSA-N 332.379 1.967 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2OC[C@H](CC(=O)N3CCCC3)[C@H]2C1 96220391 KOTUBIXACQQCJT-USXIJHARSA-N 333.432 1.751 0 40 EDAB O=S(=O)(CCCO)Cc1ccc(I)cc1 91558346 JPJHJFLFKWDSTB-UHFFFAOYSA-N 340.182 1.588 0 40 EDAB COCCN1CCOC[C@]2(CCCN(Cc3nccs3)C2)C1 96049463 XSUMAVUTVQLJFL-MRXNPFEDSA-N 325.478 1.704 0 40 EDAB CN(C(=O)CN1CCC[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 248082170 VQGOSBZPAQZKII-HOTGVXAUSA-N 336.457 1.469 0 40 EDAB CC(C)(C)OC(=O)N1[C@@H](CN2CC[C@H](C(N)=O)C2)COC1(C)C 585086187 ZZSDDINLWMIRJP-RYUDHWBXSA-N 327.425 1.166 0 40 EDAB CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C1=CCCCC1 585087244 YIHTVJSDKIANHA-CYBMUJFWSA-N 343.445 1.454 0 40 EDAB C[C@H](Cc1ccsc1)NC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C 245289776 DZYFCCLHMXDPTH-IJLUTSLNSA-N 330.475 1.896 0 40 EDAB Cn1nccc1-c1nccnc1C[C@H]1CCCN(S(C)(=O)=O)C1 257324557 WPFZHEFWTGMVJA-GFCCVEGCSA-N 335.433 1.091 0 40 EDAB CC(C)c1cc(C(=O)N2CC[C@](O)(CN3CCOCC3)C2)cs1 257305785 SRMNKDZFLNYWDU-KRWDZBQOSA-N 338.473 1.781 0 40 EDAB CC(C)Oc1ccc([C@H]2CN(S(=O)(=O)N(C)C)CCN2C)cc1 257295856 RAEBGPFUOBJCGW-MRXNPFEDSA-N 341.477 1.569 0 40 EDAB COCc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)cc1 257229152 FWWLBXGLHXZBSU-IRXDYDNUSA-N 329.400 1.868 0 40 EDAB CCc1noc(CCC(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n1 257240128 HSDSMWYYMPJKID-HBUWYVDXSA-N 345.399 1.652 0 40 EDAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)c1ccn(C)n1 257238931 HNEGIPTVHGTOGP-OPNNQBFTSA-N 348.491 1.896 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2c(F)cccc2Cl)C1 257310750 UGJVHGIFHYHCPQ-LLVKDONJSA-N 341.814 1.158 0 40 EDAB CC(C)n1nccc1C(=O)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257225465 FGHVLBRLSCMFLA-AWEZNQCLSA-N 345.403 1.433 0 40 EDAB CCCCCCN1CC2(C1)CN(C(=O)C(C)C)C[C@@H]1COCCN12 604381843 RINALGBCRKBTMV-QGZVFWFLSA-N 337.508 1.820 0 40 EDAB biogenic,in-vitro C[C@H](NC(=O)Nc1ccc(OC(F)F)nc1)[C@H](C)N1CCOCC1 283125216 NEQXFNKBMBFFDS-QWRGUYRKSA-N 344.362 1.914 0 40 EDAB N[C@@H]1C[C@@H]2C[C@H](C(=O)N3CCn4ncc(Br)c4C3)C[C@@H]21 1615552521 DRUWCPZETQZQAY-QFOLPQNPSA-N 339.237 1.361 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1cc(C(F)(F)F)n(C)n1)C2 1615613207 UPPDZBQQBAKJGU-UHFFFAOYSA-N 342.325 1.810 0 40 EDAB C[C@@H](NCc1coc(S(N)(=O)=O)c1)[C@@H](c1ccccc1)N(C)C 1615623142 XTYCEUHPWQQFDV-WBMJQRKESA-N 337.445 1.708 0 40 EDAB Cc1csc2ncnc(N3CCC[C@@H](n4cnc(C(N)=O)n4)C3)c12 572099919 ZTRJUZNHMYELBI-SNVBAGLBSA-N 343.416 1.532 0 40 EDAB CCCCC(=O)N1CCn2cc(CC(=O)NCCOC)nc2[C@H]1C 585096170 AIZAVNHLDAREQO-CYBMUJFWSA-N 336.436 1.282 0 40 EDAB O=C(NCCn1nc2c(cc1=O)CCC2)C1(c2ccc(F)cc2)CC1 585150638 ZWBBKLSHLLGXMN-UHFFFAOYSA-N 341.386 1.719 0 40 EDAB CN(C)C(=O)C[C@]1(O)COCCN(Cc2ccc(Cl)cc2F)C1 585280973 RAYVDMICSBMGIN-MRXNPFEDSA-N 344.814 1.521 0 40 EDAB Cc1ccccc1C[C@H]1CCN(CC(=O)N2CCOCC2)C[C@H]1O 585279814 PRYIJSXUUCRMAO-QZTJIDSGSA-N 332.444 1.079 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c1C 67827463 OXMVUBFDAULYCV-XHDPSFHLSA-N 327.384 1.989 0 40 EDAB CC(C)c1c(C(=O)OCC(=O)NC2CCCCC2)cnc2ncnn12 32936278 QECHDRDOQAAAPE-UHFFFAOYSA-N 345.403 1.853 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)NC[C@H](OC)c2ccccc2)C1 71924640 URMIBAMTLIKBIY-CABCVRRESA-N 335.404 1.904 0 40 EDAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN([C@@H]2CCCN(C)C2)CC1 71909035 LXNAVYMODIREOC-CRAIPNDOSA-N 348.466 1.865 0 40 EDAB CN(C)S(=O)(=O)N1CCC(c2nnc(-c3ccco3)o2)CC1 38519014 HFMNLPBZMHHSQA-UHFFFAOYSA-N 326.378 1.315 0 40 EDAB Cn1nccc1C(=O)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 585614828 ZBEIKMGQUDHSKY-OKILXGFUSA-N 338.415 1.296 0 40 EDAB COc1ccc(NC(=O)N2CC3(CC(=O)N(CC4CC4)O3)C2)cc1 1549166214 BMNLLIRVWABUOV-UHFFFAOYSA-N 331.372 1.855 0 40 EDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1 5717648 HIQXQJGCBWKRFC-VXGBXAGGSA-N 340.376 1.318 0 40 EDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CC[C@@H](c2ccccc2)[C@H](O)C1 12143281 LEEFFJAZINSMRY-WMLDXEAASA-N 349.390 1.914 0 40 EDAB O=S(=O)(NC1CC1)c1ccn(S(=O)(=O)c2ccccc2)c1 13585653 UCDOOFUXTCIRPG-UHFFFAOYSA-N 326.399 1.166 0 40 EDAB NS(=O)(=O)c1ccc(CCC(=O)N2CCc3ccccc32)cc1 19172492 ACFYXIQZJYTNAS-UHFFFAOYSA-N 330.409 1.856 0 40 EDAB COc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)cc(OC)c1OC 19575216 DZDZQFGBRSXCJD-VHDGCEQUSA-N 336.432 1.352 0 40 EDAB CNC(=O)c1ccc(-c2ccc([C@H]3CN(C(C)=O)CCO3)nc2)cn1 19693573 PCRDWWYQFCDTPI-QGZVFWFLSA-N 340.383 1.423 0 40 EDAB O=C([C@@H]1CN(c2ncccn2)CCO1)N1CCC2(CCCCC2)C1 19747266 LVHSMRQZLTXEIN-HNNXBMFYSA-N 330.432 1.865 0 40 EDAB COc1ccc([C@H]2[C@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1OC 19771552 ISBHDKJASSZWAM-FCGDIQPGSA-N 348.395 1.922 0 40 EDAB COCC(=O)N1[C@H]2CC[C@H]1CC(O)(Cn1c(C)cc3ccncc31)C2 100145940 MDYJUKPDHUYZFV-HOTGVXAUSA-N 343.427 1.876 0 40 EDAB O=C(Cn1nc2ccccn2c1=O)Nc1ccc2c(c1)OCCCO2 25031408 FUOUJMMCKINKGR-UHFFFAOYSA-N 340.339 1.296 0 40 EDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(C(N)=O)cc1 27557064 LRZQOHGXQKISFO-NSHDSACASA-N 345.424 1.384 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)c2cc(Cl)ccc2O)C[C@@H](C)O1 4808828 WWJDANWGSFCOKP-AOOOYVTPSA-N 327.764 1.838 0 40 EDAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4cn[nH]c4)C[C@H]3C2)nn1 1888843108 HTYPZQXRIAFGQI-OKILXGFUSA-N 340.431 1.706 0 40 EDAB Cn1nccc1C(=O)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@H]2C1 1888866988 QGUFQUJUZQOBMW-KBPBESRZSA-N 338.415 1.296 0 40 EDAB O=C([C@@H]1CN(c2ccnc(C(F)(F)F)c2)CCO1)N1CCCC1 1889096268 QJRILDGCWCEWPM-LBPRGKRZSA-N 329.322 1.928 0 40 EDAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(Cc3cncnc3)[C@@H]2CN1 2037981173 XWAVUXFLKWGDSR-JFIYKMOQSA-N 342.374 1.099 0 40 EDAB Cn1cc(N2C[C@@]3(CCCN(Cc4ccncc4)C3)C2=O)ccc1=O 1565541930 UWSDLWBXGGYULR-IBGZPJMESA-N 338.411 1.409 0 40 EDAB C[C@@]1(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)CC=CCC1 1565555345 XUXDYSVFXVYTGE-YYAJDYIMSA-N 332.444 1.875 0 40 EDAB O=C(c1cc[nH]c1)N1CCOC[C@@]2(C[C@@H](Cn3ccnc3)CO2)C1 1565546613 AXFLDZWZRRBULO-WMLDXEAASA-N 330.388 1.159 0 40 EDAB O=S1(=O)CC[C@@H](NC(=S)Nc2cccc(Br)c2)C1 3268554 FLMMXURRLCBHPV-SNVBAGLBSA-N 349.275 1.923 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)NC[C@H]1COC2(CCCC2)O1 10220548 FFOFGINACCFVAQ-LBPRGKRZSA-N 344.367 1.085 0 40 EDAB CC(=O)c1ccc(C(=O)NCCn2ccc3ccn(C)c3c2=O)cc1 575615883 GUHHRFHVBJSWKD-UHFFFAOYSA-N 337.379 1.973 0 40 EDAB Cn1cc(-c2nccnc2CNC(=O)[C@@H]2CCc3ccccc3O2)cn1 575620230 RGEICXWRVWCOFJ-KRWDZBQOSA-N 349.394 1.887 0 40 EDAB Cn1cnnc1CN1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1 2298188609 YKZCFUSZKQKFRR-LBPRGKRZSA-N 327.379 1.285 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)no1 24377992 MCOAMXDIKPFKRR-UWVGGRQHSA-N 334.376 1.668 0 40 EDAB O=C(CCNC(=O)c1ccoc1)Nc1ccc(N2CCOCC2)cn1 30728106 ZMNRZTCAUDPONU-UHFFFAOYSA-N 344.371 1.270 0 40 EDAB CCCc1nnc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 100641884 VPEGOZPEWSTGEE-VDUILEQBSA-N 346.412 1.236 0 40 EDAB CC(=O)N[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1)C1CCCC1 40489228 QCFKOXKWKNHWTQ-KRWDZBQOSA-N 346.431 1.552 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H](C)NC(N)=O)cc2)n1 40529328 LFELFHKSGXBNLE-CYBMUJFWSA-N 329.404 1.205 0 40 EDAB Cc1ccc(-n2ncc(C(=O)N3CCNC(=O)C3)c2C(C)C)cc1 40510381 YKGWDRVSGDMFHS-UHFFFAOYSA-N 326.400 1.876 0 40 EDAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)[nH]c(=O)[nH]c1=O 20757737 ASSLZDAZEBYNFZ-AWEZNQCLSA-N 326.356 1.218 0 40 EDAB biogenic CC(C)CN1CCO[C@@H](CNC(=O)c2cnn(C)c2-n2cccc2)C1 32269966 RDHDNCYMZQQAIG-HNNXBMFYSA-N 345.447 1.297 0 40 EDAB CC(=O)N1CCCN([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 32843198 FTWDMTSPSPDAEG-ZIAGYGMSSA-N 335.423 1.946 0 40 EDAB Cc1ccccc1-c1noc(C[S@](=O)CC(=O)N2CCOCC2)n1 32801545 BNJVEBUMGLRWNU-XMMPIXPASA-N 349.412 1.153 0 40 EDAB COCCOc1cc(N[C@H]2CC(=O)N(C3CC3)C2=O)ccc1OC 103627500 RHEMWACJVSCMFG-ZDUSSCGKSA-N 334.372 1.422 0 40 EDAB CN(C)c1cccc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)c1 78449385 WBLQLKQXBKVUHJ-OAHLLOKOSA-N 333.457 1.794 0 40 EDAB COCCN(C)CCNC(=O)C(C)(C)c1ccc(OC)c(OC)c1 79098543 DPUOPLAVOZYCSM-UHFFFAOYSA-N 338.448 1.676 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc2o1 2241391 IPYGOPLCIQUMDD-UHFFFAOYSA-N 334.309 1.651 0 40 EDAB Cc1noc(C)c1CN1CCN(Cc2nnc3n2CCCCC3)CC1 42596706 UHKORIPJFOGDCI-UHFFFAOYSA-N 344.463 1.927 0 40 EDAB O=C(NCCNC(=O)N1CCN2CCCC[C@@H]2C1)c1ccccc1F 105173410 BEPSNULTYNESEO-CQSZACIVSA-N 348.422 1.435 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)OCc2nnsc2Cl)cc1 24084645 VLOGXVUXRITZDP-UHFFFAOYSA-N 332.790 1.952 0 40 EDAB Cc1ccc(N2CC[C@@H](C(=O)N3CCn4cnnc4C3)C2=O)cc1C 105843632 QAPBDEQVFCPRGW-HNNXBMFYSA-N 339.399 1.290 0 40 EDAB Cc1sc(C(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 6679776 KWQZPQLKNZYOKK-UHFFFAOYSA-N 346.474 1.606 0 40 EDAB Cc1ccccc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 8069956 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0 40 EDAB COc1cccc(CN2CCN(S(=O)(=O)N3CCCC3)CC2)c1 44908324 ICAURYGZGJZAQF-UHFFFAOYSA-N 339.461 1.153 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)CCc2nc(C(C)(C)C)no2)C1 44934827 QIFWUHBEFAWPBR-GFCCVEGCSA-N 346.435 1.834 0 40 EDAB Cc1nn(C)cc1C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 101343624 DYIUTIGOPBOTGM-GXTWGEPZSA-N 344.758 1.674 0 40 EDAB CC(C)c1ccc(OCCC(=O)NCCC(=O)N2CCOCC2)cc1 58323299 SYUDFRHKRSINIW-UHFFFAOYSA-N 348.443 1.944 0 40 EDAB COc1ccc(C(=O)NCCC(=O)NCc2cccnc2)c(O)c1 58356067 HEDJBTAGOFLAJO-UHFFFAOYSA-N 329.356 1.232 0 40 EDAB CCCN(CC(=O)N(C)C)C(=O)c1ccc(NC(=O)NC2CC2)cc1 58403866 VCEXJAPOIFGIJI-UHFFFAOYSA-N 346.431 1.911 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)CSc2cccc(Br)c2)C1 95980804 UMZMDFLLQPPBQT-SECBINFHSA-N 343.246 1.875 0 40 EDAB CN(Cc1cccnc1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 95992673 GMJWHBJQYFNIGL-QGZVFWFLSA-N 334.441 1.825 0 40 EDAB NC(=O)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccsc2)CC1 45401920 SCFJLEGCTUEKBH-CQSZACIVSA-N 336.461 1.544 0 40 EDAB 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O=C(c1n[nH]c2c1CCCC2)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 3985285 QHEMHURHLYYFMQ-OLZOCXBDSA-N 338.411 1.710 0 40 EDAB biogenic Cc1ccc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2N)cc1Cl 4984764 MJTRJRQWEXKMQK-NSHDSACASA-N 335.795 1.720 0 40 EDAB O=C(CN1CCCC1)Nc1ccc(NC(=O)CN2CCCC2)cc1 7340167 IUXSTCSOOCXVBD-UHFFFAOYSA-N 330.432 1.755 0 40 EDAB O=C(COc1ccccc1C(=O)N1CCOCC1)NCC(F)(F)F 24439126 FEAKKHVDIWGHAA-UHFFFAOYSA-N 346.305 1.216 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)NCc2ccc(F)cc2)C1 43025346 AVFJZICPLLWHCA-ZDUSSCGKSA-N 329.397 1.049 0 40 EDAB O=C(NCCc1ccc2c(c1)OCCO2)N[C@H]1CCN2CCCC[C@H]12 43080934 WNJCDRSYENXVBQ-JKSUJKDBSA-N 345.443 1.926 0 40 EDAB Cn1cc([C@@H]2NC(=O)c3sc4ccccc4c3N2)c(=O)n(C)c1=O 76065209 ATYGDXJNTUWMPR-ZDUSSCGKSA-N 342.380 1.153 0 40 EDAB O=C(O)[C@@H]1[C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)[C@H]2C=C[C@H]1C2 104850960 GQNPGRIHXHALTO-OPYWOCCESA-N 345.351 1.027 0 40 EDAB CCn1ncc2c1CCC[C@H]2N[C@@H]1CCCN(c2cnn(C)c2)C1=O 76047125 XCZMCRUUVYIJKU-HZPDHXFCSA-N 342.447 1.799 0 40 EDAB O=C(N[C@H]1CCN2C(=O)c3ccccc3NC(=O)[C@H]12)c1cccs1 8296571 KNXZYEIYTWJXBK-JSGCOSHPSA-N 341.392 1.713 0 40 EDAB biogenic,in-vitro NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 43578774 FEYLVORUZZFEHJ-SECBINFHSA-N 329.169 1.926 0 40 EDAB COc1ccccc1CCNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 25815365 ABYHXHQHZOTNDT-SUMWQHHRSA-N 334.441 1.808 0 40 EDAB CCOC(=O)[C@H]1CSCCN1Cc1nc2ccsc2c(=O)[nH]1 26336376 NHMYUOPKSNEKGT-SNVBAGLBSA-N 339.442 1.465 0 40 EDAB O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(-n2ccnc2)cc1 108142891 MVZOBRDLJFTRLI-ZWKOTPCHSA-N 340.427 1.855 0 40 EDAB Cc1nn(C)cc1-c1ccnc(NCc2ccc3[nH]c(=O)[nH]c3c2)n1 48139877 ZDGLEVNQTMHFEO-UHFFFAOYSA-N 335.371 1.967 0 40 EDAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H]1CCCO1 27394281 QVTNHMKOACSJHW-HUUCEWRRSA-N 336.457 1.833 0 40 EDAB O=C(NCCc1ccc(F)cc1)[C@@H](Cc1ccccc1)n1cnnn1 44872272 CJQGATVSGIKCGC-QGZVFWFLSA-N 339.374 1.955 0 40 EDAB C[C@H](c1cccc(F)c1)N1CCN(C(=O)[C@@]2(O)CCSC2)CC1 95985834 GMJGJFLWTJSTGL-CXAGYDPISA-N 338.448 1.899 0 40 EDAB c1ccc(CN2CCC[C@]3(C[C@@H](CN4CCOCC4)CO3)C2)nc1 107790462 BPLOUSSOLLXXLJ-HKUYNNGSSA-N 331.460 1.785 0 40 EDAB O=C(NC[C@H](c1ccco1)N1CCCC1)N[C@@H]1CCCCNC1=O 44966472 PDIDHKNFFSLZGL-ZIAGYGMSSA-N 334.420 1.384 0 40 EDAB COc1cccc(CS(=O)(=O)CCC(=O)Nc2cc(C)on2)c1 44938483 BOWNWNZYPNZUOX-UHFFFAOYSA-N 338.385 1.935 0 40 EDAB COc1cc(CN2CC[C@@H](Nc3nccn(C)c3=O)C2)cc(OC)c1 88751630 ZPUAOKDIPCTJBD-CQSZACIVSA-N 344.415 1.484 0 40 EDAB CCN(CC)[C@H](CNC(=O)CCN1C(=O)CCC1=O)c1ccco1 58354829 PAKSTIKHKPLDBD-CYBMUJFWSA-N 335.404 1.318 0 40 EDAB COc1ccc(CCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1OC 58394304 KTQQEBUQGMBOBT-HZPDHXFCSA-N 348.443 1.616 0 40 EDAB Cc1nn(C)cc1CN1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108532362 WATBMEDVAGAOFY-OALUTQOASA-N 341.459 1.599 0 40 EDAB CCn1c(=O)[nH]c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c1=O 20757607 KUSYTUNNRNQHIT-OAHLLOKOSA-N 340.383 1.321 0 40 EDAB biogenic O=C(NCCCn1cncn1)Nc1cc(C(F)(F)F)c[nH]c1=O 75123195 BSDXEZAJKSDCIA-UHFFFAOYSA-N 330.270 1.197 0 40 EDAB Cc1cc(CC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)no1 89601027 ASUZPUXQOYSYKD-LLVKDONJSA-N 326.299 1.360 0 40 EDAB Cn1cnnc1SCC(=O)NCC1(c2ccccc2)CCOCC1 48368062 QCBYUEIHJNUDNB-UHFFFAOYSA-N 346.456 1.772 0 40 EDAB CN(Cc1ccco1)C(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 45536518 LHJHUXZNKVSRPD-GOEBONIOSA-N 337.420 1.158 0 40 EDAB COc1ccc([C@@H](NC(=O)CN(C)S(C)(=O)=O)C2CC2)cc1 46180770 BNQZHGXYMUDHNN-HNNXBMFYSA-N 326.418 1.154 0 40 EDAB O=C(O)c1ccccc1OCCN1CCN(c2ncccn2)CC1 11830152 AZEBKQQAZPKAMD-UHFFFAOYSA-N 328.372 1.376 0 40 EDAB Cc1nn(C)cc1CNC(=O)c1cc2ncc(Br)cn2n1 2793094 BNSYORCCQFWGJH-UHFFFAOYSA-N 349.192 1.464 0 40 EDAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccccc2OC)CC1 47033100 FZJQOWFTMUQJBV-UHFFFAOYSA-N 342.417 1.594 0 40 EDAB CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(N)=O 9119171 UZUSBUPJGGQPDX-UHFFFAOYSA-N 328.438 1.046 0 40 EDAB O=C(O)[C@@H]1CCCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 13260755 MSBUATWZJOSJFJ-CQSZACIVSA-N 330.384 1.679 0 40 EDAB COc1ccc2c(C)c(CC(=O)NCCC(=O)O)c(=O)oc2c1C 4064613 ACUNDJANSNAZLU-UHFFFAOYSA-N 333.340 1.552 0 40 EDAB biogenic CCN1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccc(C)o2)CC1 84789204 PLVGQUUCIBFYJN-OAHLLOKOSA-N 341.477 1.997 0 40 EDAB Cc1cccc(S(=O)(=O)N(C)CC2CCN(C[C@H](C)O)CC2)c1 178700583 VCXYXUUYMBSOAH-HNNXBMFYSA-N 340.489 1.708 0 40 EDAB COCc1cc(N2CCO[C@H](c3nc(C)cs3)C2)n2ncnc2n1 65473694 FAAAVCRCBJJREW-LBPRGKRZSA-N 346.416 1.614 0 40 EDAB C[C@@H]1CCCN(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)C1 4493265 HWSKBSWYTBEOLX-GFCCVEGCSA-N 343.383 1.267 0 40 EDAB COC(=O)c1sccc1NC(=O)Cn1cnc2ccccc2c1=O 14085898 KGCLGQYVEDDXNK-UHFFFAOYSA-N 343.364 1.883 0 40 EDAB COc1ccc(C(=O)NCc2nnc3ccccn23)c(OC)c1OC 14227253 ZNFUWAIEIXIIPS-UHFFFAOYSA-N 342.355 1.685 0 40 EDAB Cc1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1C 6590138 QVAAUKBBJGVUHA-UHFFFAOYSA-N 329.385 1.746 0 40 EDAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@H](CN2CCOCC2)C1 96428467 ASFLLUVBPFSADN-SDSFWRRZSA-N 336.457 1.641 0 40 EDAB Nc1ccc2c(N3CCN(CC4CCCC4)C(=O)C3)ncnc2n1 90139858 BTRFOLZJWQHFLQ-UHFFFAOYSA-N 326.404 1.446 0 40 EDAB O=C(O)c1ccccc1C(=O)c1cn(-c2ccc(F)cc2)[n+](=O)[nH]1 408710517 XBFDNKKULFKJFZ-UHFFFAOYSA-O 328.279 1.788 0 40 EDAB C/C=C/c1ccc(OCC(=O)N2CCN(C[C@H](C)O)CC2)c(OC)c1 71871017 TUKJBIAZKZVNLC-RGDDUWESSA-N 348.443 1.632 0 40 EDAB O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@H]1Cn1cccn1 71866241 ZWIMIMVALCVAML-AWEZNQCLSA-N 340.383 1.872 0 40 EDAB O=C1CC[C@@H](C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CN1 71883017 XWAXQTKMBTWOCO-SNVBAGLBSA-N 334.376 1.733 0 40 EDAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC[C@H]1Cn1cccn1 71866459 FZVHKEZGUCPLPX-INIZCTEOSA-N 349.394 1.734 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1Cn1cc(C)cn1)C1CCCC1 71869715 REWUPEDTLQNESN-IAGOWNOFSA-N 332.448 1.877 0 40 EDAB Cc1ccc(N2CCCN(C(=O)c3cnn(C)c3C3CC3)CC2)nn1 71860385 LQKFVEZEMAKBHH-UHFFFAOYSA-N 340.431 1.748 0 40 EDAB Cc1ccc(C)n1-c1c(C(=O)OC2CCN(C=O)CC2)cnn1C 95461441 TWSZLYHYHDAEDU-UHFFFAOYSA-N 330.388 1.605 0 40 EDAB NC(=O)[C@@H]1CCCN1c1ncc(C(=O)N2CCCCC2)cc1Cl 71904061 FOAFTZDSUIJVQV-ZDUSSCGKSA-N 336.823 1.815 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CN2CCO[C@H](Cn3cccn3)C2)c1 69371972 ZBRUVIWDISKYQN-MSOLQXFVSA-N 345.443 1.641 0 40 EDAB O=C(NCCN1CCN(C(=O)C2CCC2)CC1)Nc1cccc(F)c1 71908620 USBNYJPOLRPTCE-UHFFFAOYSA-N 348.422 1.892 0 40 EDAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2nc3nccc(C)n3n2)c1 8393377 XWIVDUMDDCGINJ-GFCCVEGCSA-N 339.355 1.925 0 40 EDAB Cc1cc(N[C@@H]2CCc3ncnn3C2)n2nc(C(F)(F)F)nc2n1 69459894 ABCVXCLRVNSKHK-MRVPVSSYSA-N 338.297 1.470 0 40 EDAB CCS(=O)(=O)CCNC(=O)Nc1cc(F)c(N(C)C)c(F)c1 69595953 XRIRQLVMPGYOCL-UHFFFAOYSA-N 335.376 1.587 0 40 EDAB CNC(=O)c1cccc(NC(=O)NCCNC(=O)CC2CCCC2)c1 69582505 GELNNUXOHPKXIM-UHFFFAOYSA-N 346.431 1.864 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccccc1OCCN(C)C)C2 69534897 VHDGFSHHDIFARW-UHFFFAOYSA-N 343.431 1.437 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)Nc2ccccc2OC(F)(F)F)C1 69622318 VHGTYSIGQPSDFH-LLVKDONJSA-N 346.353 1.953 0 40 EDAB COC(=O)c1cccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409372507 ZNOCAEMUONOUEQ-HPTBWKMGSA-N 331.324 1.456 0 40 EDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Cc1c[nH]c3ncccc13)CC2 95410613 UXBGBUSZPFXWJW-HZPDHXFCSA-N 343.427 1.884 0 40 EDAB Cn1c(=O)/c(=C/c2ccc(F)cc2F)s/c1=C/C(=O)C(C)(C)C 96803975 BVTCEMCFPPPCRJ-MACQCPQCSA-N 337.391 1.950 0 40 EDAB Cc1nc(C)c(CN2CCO[C@H](CN(C)c3cccnn3)C2)s1 84062444 KJZRVXBKCHLTEZ-CQSZACIVSA-N 333.461 1.887 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCOC[C@H]3CCO)cc2)n1 92435341 OWHZCTLIWOOBIW-GOSISDBHSA-N 343.427 1.772 0 40 EDAB O=C1[C@@H]2CN(Cc3cncs3)CCN2C(=O)N1c1ccccc1 97084983 SRWREBIEGPICRZ-AWEZNQCLSA-N 328.397 1.796 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCCn1ccnc1 97086201 KTDGUEXISRZJTN-UHFFFAOYSA-N 325.438 1.331 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N1CCC(c3ccccc3)=N1)CC2 72268023 GIFDHYIIUMIUCY-HNNXBMFYSA-N 338.415 1.128 0 40 EDAB CC(=O)N[C@H](CC(=O)N1CCC[C@H](n2cncn2)C1)c1ccccc1 72272231 IDPHSJXKKKTMAS-DLBZAZTESA-N 341.415 1.709 0 40 EDAB Cc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cn1 72330255 ITGLSPGXMYUAAU-UHFFFAOYSA-N 328.324 1.592 0 40 EDAB Cc1ccccc1OCCN(C)c1ncnc2c1cnn2CCO 97200357 SKZAUQZCMRWOMK-UHFFFAOYSA-N 327.388 1.642 0 40 EDAB O=C(CNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)NCCO 84335424 WZTAHQFTGXWYQV-VXGBXAGGSA-N 331.199 1.322 0 40 EDAB O=C(C[C@@H](CN1CCCCC1)C(=O)O)Nc1ccc2c(c1)OCO2 72403826 BTSMQFDFFKXWOD-LBPRGKRZSA-N 334.372 1.931 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)Cc2ccc(-n3cnnn3)cc2)C12CCC2 89985682 WVFOONWTPAOZSX-HOTGVXAUSA-N 341.415 1.669 0 40 EDAB Cc1nccc(N2CCN(C(=O)NC[C@@H](C)Cn3cccn3)CC2)n1 95940324 CSPOSHHXOXGVRT-CQSZACIVSA-N 343.435 1.149 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](O)c1c(F)cccc1F 95972894 UVQMOFAQGGONMS-GFCCVEGCSA-N 345.371 1.327 0 40 EDAB Cc1nsc(NCC2(O)CCN(c3nc(C)ns3)CC2)n1 1548451632 KQFXHXNBKALSEB-UHFFFAOYSA-N 326.451 1.450 0 40 EDAB C[C@H](OCc1ccccc1)C(=O)N1CCN(c2ccc(=O)[nH]n2)CC1 69844940 GTEQABREVBQBAS-AWEZNQCLSA-N 342.399 1.024 0 40 EDAB Cc1c([C@H](C)NC(=O)CCNS(C)(=O)=O)oc2ccc(F)cc12 69440625 YFTNCWASPDGGMO-JTQLQIEISA-N 342.392 1.997 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)on1 306134087 NDECVPFUOKIKDA-GZBFAFLISA-N 328.372 1.577 0 40 EDAB O=C(COc1ccc(C(=S)N2CCCC2)cc1)N1CCOCC1 409245543 VLGQOVKJPIAOQK-UHFFFAOYSA-N 334.441 1.696 0 40 EDAB COC[C@@]1(C(N)=S)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218462511 IACDCIOXDGHDNU-NTZNESFSSA-N 333.862 1.769 0 40 EDAB Cc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)n(C)n1 72237857 VCQKCFFZAOXBEU-CVEARBPZSA-N 328.372 1.266 0 40 EDAB CC(C)NC(=O)c1nsc(C(=O)NCCc2cccs2)c1N 62006823 SRKGCHYSAYYEEX-UHFFFAOYSA-N 338.458 1.898 0 40 EDAB O=C(Cn1c(=O)[nH]c2c(oc3ccccc32)c1=O)NC1CCCC1 71289395 PULMYNGXUNAINR-UHFFFAOYSA-N 327.340 1.495 0 40 EDAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCc1ccccc1C(N)=O)CS2 78768692 CJSMHWWJGJORHH-BLLLJJGKSA-N 334.397 1.283 0 40 EDAB CC(=O)N1CCC[C@@H]1c1cnc(CCC(=O)NC2CCOCC2)cn1 72366862 KHJKMEVYSIGUBK-QGZVFWFLSA-N 346.431 1.388 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)c3cccc4[nH]ncc34)CC2)S1 73117820 RMZLSGOHDLBSSZ-NSHDSACASA-N 329.429 1.812 0 40 EDAB C[C@H]1CCCC[C@H]1N(C)C(=O)C1=NN(c2ccccc2)C(=O)CN1 33018352 DCERQLPUJYUYHN-DZGCQCFKSA-N 328.416 1.973 0 40 EDAB CC[C@H](Oc1ccccc1C)C(=O)NCCCN1CCN(C)CC1 38752141 VNTSKZFEQUDBED-KRWDZBQOSA-N 333.476 1.906 0 40 EDAB O=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1Cc2ccccc2C1 77504379 YHQWYNSYFDHCGV-INIZCTEOSA-N 325.416 1.966 0 40 EDAB COc1ccc(CNC(=O)COC(=O)c2ccc(C)nc2)cc1OC 72330263 YRGCALYBLONYKR-UHFFFAOYSA-N 344.367 1.880 0 40 EDAB COc1c(C)c2c(c(O)c1C[C@@H](O)[C@]1(C)CCC(=O)O1)C(=O)OC2 14455555 WSNMPAVSZJSIMT-DIFFPNOSSA-N 336.340 1.379 0 40 EDAB biogenic,in-vitro O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCCN2CCC[C@@H]2C1 69778069 FZTZWDAMJLMALD-CYBMUJFWSA-N 346.822 1.626 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)n1 41123591 HQFCISZDQJOQBT-WFASDCNBSA-N 329.356 1.924 0 40 EDAB Cc1ccc(O[C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)nn1 225427479 ACDIROUBPDBCIT-AWEZNQCLSA-N 341.367 1.736 0 40 EDAB O=C(NS(=O)(=O)CC1CCC1)[C@@H]1C[C@]12CCOc1ccccc12 225788688 MVTJPXQJNXJLIQ-YOEHRIQHSA-N 335.425 1.973 0 40 EDAB Cc1[nH]ncc1[C@H](C)NCCN1CCN(C(=O)C2CCCC2)CC1 195553579 FFJPTQWEPBYFKQ-AWEZNQCLSA-N 333.480 1.703 0 40 EDAB CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCCC1 225636323 AMYAAOBZLONOQZ-UHFFFAOYSA-N 345.486 1.740 0 40 EDAB CC(C)[C@@H](C)NC(=O)CNc1ccccc1C(=O)N1CCC[C@@H]1CO 69813313 MWKFQZIXHVSAFI-HUUCEWRRSA-N 347.459 1.856 0 40 EDAB COc1cc(C(=O)NS(=O)(=O)N(C)c2ccccc2)cc(C)n1 225725632 CSJBMMNJPNKQLJ-UHFFFAOYSA-N 335.385 1.510 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NCC[C@H](O)c1ccco1 77111835 ZSIWQLMYHISDLE-VIFPVBQESA-N 345.398 1.530 0 40 EDAB C[C@@H]1CCCN(Cc2ccc(C(=O)N3CCN(C=O)CC3)cc2)C1 44885776 WBJXAGCCNOUWQP-MRXNPFEDSA-N 329.444 1.833 0 40 EDAB CCS(=O)(=O)c1ccc(N(C)Cc2cnc(N(C)C)nc2)cc1 225522678 IDLVLFAWZVRQBS-UHFFFAOYSA-N 334.445 1.973 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccc(OC)cc2)C1 222618630 AWIXDMOOEKLJML-CYBMUJFWSA-N 340.445 1.720 0 40 EDAB Cn1cc2c(n1)[C@@H](COCC1CC1)CN(C(=O)Cc1ccccn1)C2 96198024 XXUZTMDNXPJZKT-MRXNPFEDSA-N 340.427 1.910 0 40 EDAB CO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C[C@@H]1Cc1cccc(C)c1 96111160 RFWZIXVJFZYJHJ-JKSUJKDBSA-N 339.457 1.446 0 40 EDAB CNC(=O)CCOC(=O)c1cccc(I)c1C 96473987 GYEKPOUHTPIXBJ-UHFFFAOYSA-N 347.152 1.893 0 40 EDAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(Cc1nccs1)CC2 96199839 IPAINCGAYWXMIO-AWEZNQCLSA-N 345.472 1.857 0 40 EDAB O=C(Cn1cnnn1)Nc1cccc(C[S@](=O)C2CCCCC2)c1 96408308 XKAXLZNSCSWHTQ-XMMPIXPASA-N 347.444 1.893 0 40 EDAB Cc1noc(C)c1CN1CC[C@@]2(C[C@H](Oc3ncccn3)CO2)C1 96072557 JIHQEUNGMZTORV-WMLDXEAASA-N 330.388 1.894 0 40 EDAB COc1ccc2cc(C(=O)N[C@H]3CCc4n[nH]c(=O)cc4C3)[nH]c2c1 238914836 SLNZAQBLMSPCSL-LBPRGKRZSA-N 338.367 1.547 0 40 EDAB CO[C@@](C)(C(=O)N[C@H](CO)Cc1cnn(C)c1)c1ccccc1F 585088169 NOFCJJFSEDBHRT-SUMWQHHRSA-N 335.379 1.141 0 40 EDAB COCCN1CCN(C(=O)N2CCOCC2)Cc2ccc(C)nc21 96199053 SJCLTADDYGHWOW-UHFFFAOYSA-N 334.420 1.111 0 40 EDAB O=C(NCc1cn(C[C@H](O)c2ccc(F)cc2)nn1)C(F)(F)F 585091497 JOKKOALEYDTEOE-NSHDSACASA-N 332.257 1.329 0 40 EDAB CC[C@H]1CN(C)CCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 585085988 OGXLROLWTGXSKI-INIZCTEOSA-N 329.444 1.909 0 40 EDAB Cc1cnc(N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2csc(C)n2)nc1 96184031 BXHKJXWTGZAKBM-KGLIPLIRSA-N 329.429 1.930 0 40 EDAB Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H](c1cnn(C)c1)N(C)C 96410769 AGYPOQDEPDMLTK-OAHLLOKOSA-N 347.394 1.225 0 40 EDAB CNC(=O)NC[C@H]1CCC2(CCN(c3cc(OC)ncn3)CC2)CO1 96224969 AXCWTJRAIYEAMM-CYBMUJFWSA-N 349.435 1.180 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)[C@@H]1Cc3ccccc3S1)CC2 97199133 VXSCIKVHFIRXOG-OCCSQVGLSA-N 328.441 1.989 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1 96447962 HRXBRHUZQYYRAI-UHFFFAOYSA-N 332.408 1.260 0 40 EDAB CC(C)CC(=O)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2CC(C)C 96251569 QUWKERMELQHWAK-JKSUJKDBSA-N 344.521 1.779 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(c3ncccn3)C[C@@H]2O1 96041044 MVPXQRKOLTYZGE-QEJZJMRPSA-N 325.372 1.494 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(CCc2ccccc2)Cc2cncn21 248014655 QAJLICXMEBBCST-GOSISDBHSA-N 342.443 1.587 0 40 EDAB CNC(=O)[C@@H]1COC2(CN(Cc3ccccc3C)C2)CN1CC1CC1 248142716 GAZIKNGMQLFMHQ-SFHVURJKSA-N 343.471 1.406 0 40 EDAB O=C(c1cnco1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257205802 BAPJSBXCOCEHEL-SFHVURJKSA-N 327.384 1.310 0 40 EDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2ccn(C)n2)nc1 257251319 JQGYUWIZUVGSQU-MRXNPFEDSA-N 327.388 1.429 0 40 EDAB O=C1[C@H](N2C(=O)[C@H]3CCCN3C2=O)CCN1c1ccccc1Cl 253420295 MEGPETVYYHTCBI-CHWSQXEVSA-N 333.775 1.872 0 40 EDAB O=C(N[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O)C1(c2ccccc2F)CC1 257269658 MQVGJRRDVKYKFL-BZUAXINKSA-N 329.375 1.935 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)Cn2ccc(C(F)(F)F)n2)n1 257278911 OEDPSBIPZGDFBI-SNVBAGLBSA-N 343.309 1.534 0 40 EDAB CC(C)Cc1cc(C(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)on1 257257633 KQMFKLGTCGCRNM-SFHVURJKSA-N 344.415 1.639 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 257218599 DDTKWVRPNACWHF-HNNXBMFYSA-N 334.420 1.265 0 40 EDAB COc1ccc(CC(=O)N2CCC3(CC2)OCCC[C@@H]3O)cc1F 257306940 SWQOUCQWGZYLFN-INIZCTEOSA-N 337.391 1.909 0 40 EDAB COc1ccccc1[C@@H]1CN(Cc2ccn(C)n2)CCN1C(C)=O 257325933 WVBXPSVHZLOJSX-KRWDZBQOSA-N 328.416 1.834 0 40 EDAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)c1cccnn1 257338189 YWJAGCQLBIBIBF-OPNNQBFTSA-N 346.475 1.953 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1c1cncc(-c2cncc(C(=O)O)c2)n1 257212779 CEXWUQIKDOLDES-AWEZNQCLSA-N 348.384 1.333 0 40 EDAB Cc1ncoc1C(=O)N1CCC[C@@H](c2ccc3c(N)nn(C)c3n2)C1 257272344 NCBIQJYDXAIXFE-LLVKDONJSA-N 340.387 1.867 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(CC3(O)CCOCC3)CCO2)ccn1 257277070 NWHZTUYYFXRFCG-KRWDZBQOSA-N 349.475 1.323 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CCN1 257214534 CMJKQUFWITWPMH-INIZCTEOSA-N 325.368 1.378 0 40 EDAB CO[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@@]12CCCO2 257337294 YSFDXQWGITXASU-YJBOKZPZSA-N 342.399 1.677 0 40 EDAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 257283852 PADFGMJPDVPHEI-OAHLLOKOSA-N 332.448 1.902 0 40 EDAB CCn1cc(CN2CCC[C@@H]2c2nccc(CNC(C)=O)n2)c(C)n1 257278544 OCQQBHZMNVKOOM-QGZVFWFLSA-N 342.447 1.975 0 40 EDAB CC(C)(N)C(=O)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 257260988 LFINLOFPSWUMMZ-OAHLLOKOSA-N 333.423 1.198 0 40 EDAB Cc1cnc(C(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)cn1 257231256 GFYGJDJBRJPQGK-QGZVFWFLSA-N 327.388 1.921 0 40 EDAB CNC(=O)c1cnn2c([C@@H]3CCN(c4cc(C)ncn4)C3)ccnc12 257225740 FHOJOJOYTPGAOZ-GFCCVEGCSA-N 337.387 1.181 0 40 EDAB COc1ccccc1[C@H]1CN(Cc2cnn(C)c2)CCN1C(C)=O 257338966 YZQLZQRVWRWJGQ-QGZVFWFLSA-N 328.416 1.834 0 40 EDAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCC[C@H]1C(N)=O 253400170 KVVOLIFDAMDRKF-JQWIXIFHSA-N 329.356 1.485 0 40 EDAB biogenic,in-vitro C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1ccc(OCC(=O)O)cc1 595281610 OQUAMBYMXPHAOY-RUYXUOGBSA-N 325.386 1.132 0 40 EDAB COCCNS(=O)(=O)c1cc(F)ccc1N1CCCSCC1 1615050809 LQCYCXQRJZFPLS-UHFFFAOYSA-N 348.465 1.694 0 40 EDAB CS(=O)(=O)C1(C(=O)NCc2c(F)cccc2-n2cccn2)CC1 1615591639 YTTNVBSZYQSIFO-UHFFFAOYSA-N 337.376 1.205 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)NC[C@H]1COC2(CCCCC2)O1 1615579228 LWJWKVWQRPAVIK-ZDUSSCGKSA-N 349.435 1.442 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3cscn3)[C@H]2C1 575406871 WQVIMMXCNZCUEI-CBLPJQPBSA-N 335.429 1.002 0 40 EDAB COCC(=O)N1CC2(C[C@H](OCc3csc(C)n3)CCO2)C1 575406200 XXNSMDCVTSTXOY-CYBMUJFWSA-N 326.418 1.375 0 40 EDAB O=C(Cc1ccccc1)N1C[C@H]2ON=C(C(=O)N3CCCC3)[C@H]2C1 585108920 DNRCIZKPITZNMD-LSDHHAIUSA-N 327.384 1.065 0 40 EDAB Cc1nc2cc(NC(=O)CCC(=O)NC(C)(C)CC(N)=O)ccc2o1 585140480 FSZGFXHCHLVLIH-UHFFFAOYSA-N 346.387 1.625 0 40 EDAB Cn1cc(CCS(=O)(=O)c2cccc(Br)c2)nn1 585124118 GZAYAVDQBGVBDJ-UHFFFAOYSA-N 330.207 1.594 0 40 EDAB COc1cc(OC)nc(N2CCN(Cc3ccccc3)C(=O)C2)n1 1167104459 YAUYZXIKLUSKDV-UHFFFAOYSA-N 328.372 1.343 0 40 EDAB COC(=O)N(C)CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 48048794 PHRCRFYIRCBPOL-MRXNPFEDSA-N 336.388 1.969 0 40 EDAB CCNC(=O)c1cccc(CNCc2c(C)nn(C)c2N(C)C)c1 58428061 CIMMVVMLERFSLM-UHFFFAOYSA-N 329.448 1.834 0 40 EDAB Cn1cnc(N2CCC(COc3cc(C4CC4)ncn3)CC2)cc1=O 1565522240 LKEODYRNJGPZMP-UHFFFAOYSA-N 341.415 1.743 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H](C)c1ccncc1 75121439 PELSSPCLTDZFEG-LBPRGKRZSA-N 349.394 1.955 0 40 EDAB O=C(O)CCN(Cc1ccccn1)S(=O)(=O)c1cccs1 547574933 IVCWEUSDUFFJSE-UHFFFAOYSA-N 326.399 1.809 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCN(C(N)=O)C3)cn2)n1 42055443 PMPORUXQNRUPSG-CYBMUJFWSA-N 342.403 1.613 0 40 EDAB Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1cc(-c3ccc(C)o3)n[nH]1)CC2 12115998 SITSLYOBWDDCEH-UHFFFAOYSA-N 339.355 1.568 0 40 EDAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCc1ccco1 13582792 KVIVQKATNMTTDT-UHFFFAOYSA-N 338.385 1.614 0 40 EDAB CC1=N[C@@H](N2CCOCC2)[C@H](N2CCOCC2)N1c1ccccc1 19327839 ASTAQVNKQQSKFG-ZWKOTPCHSA-N 330.432 1.242 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCCc1nc(N(C)C)ncc1-c1ccncc1 19495869 SNEYQXBWMAQRCD-TZMCWYRMSA-N 325.416 1.919 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)CCc2c(C)noc2C)C1 225806306 OHPRELJHKJQJHQ-CYBMUJFWSA-N 346.387 1.703 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CC[C@H](n2cc(C3CC3)nn2)C1 253472301 LGTNAASIKUDDHJ-SUMWQHHRSA-N 340.383 1.769 0 40 EDAB CC(=O)N1CCC[C@](O)(C(=O)NCc2ccccc2OC2CCC2)C1 581146832 BVHNCWDNQMZFTR-LJQANCHMSA-N 346.427 1.608 0 40 EDAB CN(C)c1cccc(C(=O)N2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c1 1888853076 DYCRGHWYZXTGMZ-HOTGVXAUSA-N 337.427 1.751 0 40 EDAB CN(c1ccccn1)C1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 1888917928 VMNZJEGORZRNQU-INIZCTEOSA-N 332.448 1.277 0 40 EDAB O=C1[C@H](N2CC(Oc3ccnc(C(F)(F)F)c3)C2)CCN1C1CC1 1889070488 GEWAHUMNSOURGI-CYBMUJFWSA-N 341.333 1.927 0 40 EDAB COc1ccccc1CNC(=O)CNC[C@H](c1ccco1)N(C)C 23425327 KKUUXVNWNCLLRA-OAHLLOKOSA-N 331.416 1.797 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NN(C)c2ccccc2)C1 50170106 UIBHNGMAUXILPP-CYBMUJFWSA-N 325.434 1.216 0 40 EDAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 154048 JWUVBKMGEXMGNP-UHFFFAOYSA-N 339.413 1.585 0 40 EDAB O=C(CC1(O)CCC1)N1CCc2ncnc(-c3ccncc3)c2CC1 1565553174 MTMZQEUIIXQKFA-UHFFFAOYSA-N 338.411 1.771 0 40 EDAB O=C(c1ccc(Cl)cc1)N1CCN(c2ccc3nncn3n2)CC1 6804850 SQUTZFRVIVSXMH-UHFFFAOYSA-N 342.790 1.740 0 40 EDAB Cc1nn(C)cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 12015712 HJBJDUVHSJOSMX-UHFFFAOYSA-N 325.372 1.779 0 40 EDAB O=S(=O)(CCCOc1ccc2c(c1)OCO2)NCc1ccco1 12440688 CTXAQDCCFAYIFA-UHFFFAOYSA-N 339.369 1.897 0 40 EDAB CS(=O)(=O)N1CCC2(CCCN2C(=O)CCc2ccc[nH]2)CC1 2055819427 PBHTVLCRDKCCHE-UHFFFAOYSA-N 339.461 1.364 0 40 EDAB O=C(NCCN1C(=O)COC1=O)NCc1cccc2ccccc12 1775967552 WLYZNFMTEFUYQX-UHFFFAOYSA-N 327.340 1.618 0 40 EDAB Cn1ncc2c(N3CCC(C(=O)N4CCSCC4)CC3)ncnc21 2298192570 IABQYVQIPHBCKH-UHFFFAOYSA-N 346.460 1.155 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CCCN(C(N)=O)C2)c(C)c1 25041299 YVNLCMUYRUNFGP-AWEZNQCLSA-N 346.431 1.457 0 40 EDAB C[C@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 40005246 AEHBNUMTPYMOML-QWHCGFSZSA-N 346.412 1.393 0 40 EDAB COc1ccc(N2C[C@H](C(=O)Nc3nncs3)CC2=O)cc1OC 30611547 MOYAKNVMVCAVBA-SECBINFHSA-N 348.384 1.547 0 40 EDAB Cn1c2ccccc2c2nnc(SCC(=O)N3CCOCC3)nc21 139705 TYCZZHHMLXJFOQ-UHFFFAOYSA-N 343.412 1.467 0 40 EDAB CSCC[C@H](NC(=O)[C@@H]1CCC(=O)NC1)c1nc2ccccc2[nH]1 40543625 QBFGZKGTSQCDHL-RISCZKNCSA-N 346.456 2.000 0 40 EDAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1OC 40528045 FVYWKLMOAFCXSH-LLVKDONJSA-N 339.417 1.867 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)c3cccnc3O)cn2)C[C@@H](C)O1 40535745 MZNAVFZLAUDPSL-CHWSQXEVSA-N 342.399 1.726 0 40 EDAB C[C@H](CNC(=O)c1cccnc1OCC(F)(F)F)N1CCOCC1 40509809 HIORCFVATHJYNT-LLVKDONJSA-N 347.337 1.473 0 40 EDAB O=C(CCC(=O)c1ccc2c(c1)CCC2)N[C@@H]1CCS(=O)(=O)C1 32845165 OVZHBGUPXMRSJD-OAHLLOKOSA-N 335.425 1.442 0 40 EDAB NC(=O)c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 32908768 ODYLPLKLJSNNMM-UHFFFAOYSA-N 344.348 1.693 0 40 EDAB CCOc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 103110904 RUBVKUPZVUHCBV-NZBPQXDJSA-N 326.352 1.537 0 40 EDAB CCOC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 53239286 SSCKBHWTUOBION-GOEBONIOSA-N 346.427 1.915 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1cccnc1 41839253 QKIPWTAZDCFLBM-JTQLQIEISA-N 333.369 1.452 0 40 EDAB NS(=O)(=O)CC1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 103952503 FCWJKFHZMURGGN-UHFFFAOYSA-N 346.452 1.909 0 40 EDAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC[C@H](C(N)=O)C1 53891417 UISZRDXNPIFMFX-ZDUSSCGKSA-N 346.818 1.841 0 40 EDAB CCn1nc2c(cc1=O)CN(CC(=O)Nc1ccnn1C(C)C)CC2 72302220 UBEMZVBSOHVBHY-UHFFFAOYSA-N 344.419 1.037 0 40 EDAB O=C(Cn1ccc2c(cnc3ccnn32)c1=O)NCCc1ccccc1 79486774 WSAYNHWJUKTPJF-UHFFFAOYSA-N 347.378 1.403 0 40 EDAB CCc1nn(C)c(OC)c1CNC(=O)[C@H](C(C)C)N1CCCC1=O 93024068 ZTFBPAGKUGWXKS-HNNXBMFYSA-N 336.436 1.254 0 40 EDAB O=C1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 3874476 DQCKKXVULJGBQN-KCUHQSDYSA-N 341.407 1.525 0 40 EDAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)cc1 71286722 WAYIXLJBQCMYAE-OLZOCXBDSA-N 341.367 1.946 0 40 EDAB Cc1ccc(N(C)Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1Cl 93193441 WWZBOSNFKOJICC-UHFFFAOYSA-N 347.806 1.559 0 40 EDAB COC(=O)c1nc(=S)[nH]c(C(=O)OC)c1C(=O)c1ccccc1O 6735020 KMUMACFBNLVUDQ-UHFFFAOYSA-N 348.336 1.649 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)cc1 6880387 FPGNJBAWNCHGJK-UHFFFAOYSA-N 340.445 1.813 0 40 EDAB O=C(COC(=O)CCn1c(=O)oc2ccccc21)NC1CCCCC1 7620584 RZRFCCHJQPYFJM-UHFFFAOYSA-N 346.383 1.977 0 40 EDAB C[C@H]1CN(C[C@@H](O)Cn2nc(-c3cccs3)oc2=O)C[C@@H](C)O1 106830546 WMNBUWVSCOUNDL-GRYCIOLGSA-N 339.417 1.035 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3cnnc3)c2)o1 25288283 ZXBCXFQIXYXOME-UHFFFAOYSA-N 347.356 1.021 0 40 EDAB O=C(CN1CCN(CCc2ccccc2)CC1)NC[C@H]1CCCO1 25355848 KNOKNOSFNYSDSX-GOSISDBHSA-N 331.460 1.142 0 40 EDAB COc1ccc(CN2CCCN(C(=O)c3csnn3)CC2)cc1 56407287 OTKBXZQNUQWQCD-UHFFFAOYSA-N 332.429 1.895 0 40 EDAB C[S@](=O)c1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1 44227562 PETBAJNCCINHKQ-XMMPIXPASA-N 346.456 1.714 0 40 EDAB COC(=O)c1ccc(N2CCN(C(=O)Nc3cn[nH]c3)[C@H](C)C2)cc1 58202834 VLWPEOUWZBNLSJ-GFCCVEGCSA-N 343.387 1.939 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCCc2ccccc2)on1 44909139 GKEGXJFYKXYAQE-ZDUSSCGKSA-N 336.413 1.645 0 40 EDAB COCC(=O)N1CCN(Cc2nc(-c3ccccc3OC)no2)CC1 44950697 RPINUJQMZSKOTL-UHFFFAOYSA-N 346.387 1.036 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC1(c2ccccc2)CCC1 10373183 IIFUYCPBAOUDTK-UHFFFAOYSA-N 341.411 1.542 0 40 EDAB COC(=O)C12C[C@@H]3C[C@H](CC(NC(=O)c4ccc[nH]c4=O)(C3)C1)C2 101415391 AYYAASOVTADQMU-VCKYCXPWSA-N 330.384 1.617 0 40 EDAB CC1(C)[C@@H]2C[C@@H]1CC=C2CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 102787764 KFWIQRFOCDYDRG-MGCGUQNBSA-N 329.396 1.845 0 40 EDAB C[C@H](OCc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 110623727 OQEUIAROTJBGDF-YQQAZPJKSA-N 330.428 1.919 0 40 EDAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)nc21 28426465 SQHCGBFKPGGPJP-RYUDHWBXSA-N 342.399 1.274 0 40 EDAB COc1ccc(Cl)cc1CNC(=O)N[C@@H]1CCCCNC1=O 45666653 HOGFTOLPAKXHQM-GFCCVEGCSA-N 325.796 1.817 0 40 EDAB CC(C)CN1C[C@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1=O 45838729 SIYIBAYAXCYAIJ-SECBINFHSA-N 345.321 1.837 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)NCc1ccccc1OC(F)(F)F 29326938 KFQMMMUXWQVAKS-VIFPVBQESA-N 333.310 1.909 0 40 EDAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 12738569 FLQQKWLBNIWDHZ-GFCCVEGCSA-N 345.399 1.499 0 40 EDAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cnccn1 29804738 SJCPGKZVWFJDFI-MRXNPFEDSA-N 346.818 1.933 0 40 EDAB O=C(COCCc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 60765405 LZLGRZYAFZSCAS-UHFFFAOYSA-N 337.372 1.890 0 40 EDAB Cc1c(Cl)c(C(F)F)nn1CC(=O)Nc1cn(C)nc1C(N)=O 2781238 PIAUTQQCLTZLPP-UHFFFAOYSA-N 346.725 1.254 0 40 EDAB COC(=O)NCC(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1 62406677 HWOSIGUHQQGRIH-HNNXBMFYSA-N 334.372 1.639 0 40 EDAB O=C(Nc1nc(-c2ccccc2)ns1)N[C@@H]1CCc2ncnn2C1 112712303 MQEZGYJWJKQIRT-LLVKDONJSA-N 341.400 1.933 0 40 EDAB COc1ccc(NC(=O)COC(=O)c2nccnc2N)cc1Cl 3569024 INVWPKUUPXTJAV-UHFFFAOYSA-N 336.735 1.516 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O 5000090 GUKDXPOESCSUEF-UHFFFAOYSA-N 343.770 1.992 0 40 EDAB C[C@@H](N)c1ccc2c(c1)N(CC(=O)NC1CCCCC1)C(=O)CO2 19768055 GUVGJADQLMBGFH-GFCCVEGCSA-N 331.416 1.881 0 40 EDAB COc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cn1 9314281 UAWAWPNRCPHUKF-UHFFFAOYSA-N 339.273 1.876 0 40 EDAB CNC(=O)N(C)C(=O)c1cnc(Nc2nc3ccccc3[nH]2)nc1 9378254 ZOMCEWSDULKWJS-UHFFFAOYSA-N 325.332 1.508 0 40 EDAB Cc1nn(C)c(C)c1CCNS(=O)(=O)c1cc(Cl)cnc1N 95433735 LEWQFYHHXCMNAI-UHFFFAOYSA-N 343.840 1.189 0 40 EDAB CCCC[C@@H](NC(=O)CCNS(C)(=O)=O)c1ccc(OC)cc1 65554022 CHRRTYQNHMJSKP-OAHLLOKOSA-N 342.461 1.982 0 40 EDAB CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14141104 YYYXYFDITGLUNY-UHFFFAOYSA-N 336.457 1.712 0 40 EDAB COc1ccc(CC(=O)Nc2ccccc2-n2cnnn2)cc1OC 6470341 GMTXURDGDUFTFZ-UHFFFAOYSA-N 339.355 1.861 0 40 EDAB CC1(C)CN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CCO1 65611798 KWQJWKIOEJCSFJ-UHFFFAOYSA-N 346.836 1.963 0 40 EDAB CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)NCc1nnc2n1CCC2 95419111 KSYRVNNBFYGQNF-STQMWFEESA-N 335.452 1.959 0 40 EDAB COCCN(Cc1cccnc1)S(=O)(=O)c1ccc2c(c1)COC2 66578300 JBSGZLFXURNOEX-UHFFFAOYSA-N 348.424 1.949 0 40 EDAB O=S(=O)(NCC1(O)CCCC1)c1cnn(Cc2ccccc2)c1 96483436 CQAKZGJAKUTEIF-UHFFFAOYSA-N 335.429 1.515 0 40 EDAB CC(C)CNc1nnc(S[C@H](C(=O)NC(N)=O)C(C)C)s1 7250060 UFFQICDTOXPBPY-QMMMGPOBSA-N 331.467 1.918 0 40 EDAB COc1ccnc(N2CCN(C(=O)Cc3csc(C)n3)CC2)n1 71819918 XWCNDXOOISIYNL-UHFFFAOYSA-N 333.417 1.141 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)N1 71818688 UBFDANTXORHDNE-NXEZZACHSA-N 347.337 1.556 0 40 EDAB COc1ccc(CCN2CCN(C(=O)c3ccc(O)nn3)CC2)cc1 71836607 BTWOOGQHSMADPE-UHFFFAOYSA-N 342.399 1.191 0 40 EDAB C[C@@H](CNC(=O)N1CCN(c2ncccc2F)CC1)Cn1cccn1 90550874 NZWBGPHMTAFRRB-AWEZNQCLSA-N 346.410 1.585 0 40 EDAB Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCC[C@H]1[C@H]1CCCN1C 71875041 IHOXSUAGIRKKQN-NEPJUHHUSA-N 346.460 1.935 0 40 EDAB COc1ccc(-c2cnc(CN3CCN(C[C@@H](C)O)CC3)o2)cc1 71877360 IQSZDFWQQZVHRA-CQSZACIVSA-N 331.416 1.849 0 40 EDAB CCn1c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc2ccccc21 71819816 ORNYNTBQBLNFSK-UHFFFAOYSA-N 340.383 1.475 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccco2)CC1 71820819 NSPJBTNSHVLRBG-UHFFFAOYSA-N 328.368 1.895 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNCCCS(=O)(=O)c1ccccc1)CN2 71888691 KXSBVROAFKYKNG-HNNXBMFYSA-N 348.472 1.687 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)NCCc1ccc(F)cc1 7778913 XGCZUAMWPMEPJV-UHFFFAOYSA-N 325.343 1.895 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCO1)N(c1ccccc1)S(C)(=O)=O 408908219 VSNQGWQAKUKISQ-TZMCWYRMSA-N 326.418 1.136 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)Nc1nnc(CCC(=O)OC)s1 71915064 GZEJGZZVFDKFKE-JTQLQIEISA-N 342.421 1.534 0 40 EDAB Cc1nc2cc(C(=O)NCCS(=O)(=O)C(C)(C)C)ccc2n1C 71904048 OIPNVCAXKJGRIV-UHFFFAOYSA-N 337.445 1.825 0 40 EDAB Cn1nnc2cc(C(=O)N3CCCN(c4cccnn4)CC3)ccc21 70011567 PJZKSEWISPIQHO-UHFFFAOYSA-N 337.387 1.111 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(CC(=O)Nc3cc(C)on3)CCO2)n1 69349993 UHQHEIDXGVFMSI-AWEZNQCLSA-N 333.392 1.136 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H](C)C(=O)N2CCSCC2)ccc1F 69435873 JBYFROAJZCPIEK-NSHDSACASA-N 346.449 1.376 0 40 EDAB O=C(CCNC(=O)[C@H]1Cc2ccccc2O1)NCc1ccncc1 69528133 XDUOGGBVUAUGBE-MRXNPFEDSA-N 325.368 1.208 0 40 EDAB Cc1cccc(OCCNC(=O)CSc2n[nH]c(=O)n2C2CC2)c1 8504339 JDUUBXFERHJYIO-UHFFFAOYSA-N 348.428 1.502 0 40 EDAB CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)N1CCN(CC(C)(C)O)CC1 69703052 RPOFNUAHKDIMMA-HZPDHXFCSA-N 342.480 1.122 0 40 EDAB Cc1ncsc1C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 69811935 FLYHDXNAAMAGSN-UHFFFAOYSA-N 340.426 1.664 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1ccc(N3CCCC3)nn1)C2 69951385 XOUNOOBHQMZMBS-UHFFFAOYSA-N 341.419 1.448 0 40 EDAB CC(C)(CNC(=O)c1c(F)cc(Br)cc1F)C(N)=O 87132682 GIFQQLDBEWTGTA-UHFFFAOYSA-N 335.148 1.969 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(CC3(O)CCC3)CC2)c(C)c1 84142037 KDDLLPNOXAMDSZ-UHFFFAOYSA-N 338.473 1.525 0 40 EDAB Cc1cc(C)cc(OC[C@@H](O)Cn2cnc3cnccc3c2=O)c1 97080172 DHANEYGCWCHRMS-AWEZNQCLSA-N 325.368 1.848 0 40 EDAB Cc1csc([C@H]2CCCCN2C(=O)Cn2ccc(=O)n(C)c2=O)n1 72273818 YKIRPTMSWQKVAF-GFCCVEGCSA-N 348.428 1.066 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CN1[C@@H](C)COC[C@H]1C)CC2 72293996 BHTBMBCYTVZIKE-OKILXGFUSA-N 348.443 1.698 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN1CCc2cnc(C(C)C)nc2C1 72268843 BCRNXVMAHMOWSV-UHFFFAOYSA-N 328.420 1.937 0 40 EDAB COc1ccc(F)cc1CN1CCN(c2ccnc(C(N)=O)c2)CC1 97162920 QTLTYHKANABDGO-UHFFFAOYSA-N 344.390 1.650 0 40 EDAB c1ccc(Cn2nnnc2CN2CCO[C@H](c3nccs3)C2)cc1 97199801 ZZNYMKQYSPSDGU-AWEZNQCLSA-N 342.428 1.751 0 40 EDAB Cc1n[nH]c([C@H]2CN(CC(=O)NCCC3=CCCCC3)CCO2)n1 72300108 YHYDQNDCWODLTG-OAHLLOKOSA-N 333.436 1.493 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCc1ccncc1 75121444 SUASIQHXWGZKDE-UHFFFAOYSA-N 335.367 1.394 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)c2ccccc21 75138437 GOPPKXXFXNNCHY-GDBMZVCRSA-N 336.347 1.384 0 40 EDAB Cc1cc(CC(=O)N(C[C@@H]2CN(C)CCO2)c2nccs2)no1 89601003 HHYONYCQRHANMG-ZDUSSCGKSA-N 336.417 1.346 0 40 EDAB O=S(=O)(CC[C@@H]1CCCO1)N[C@H]1CCN(CC2CCCC2)C1 89818068 PQBWWWNDZDAEMQ-HOTGVXAUSA-N 330.494 1.739 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)C(C)(C)n1cc(Br)cn1 89937803 KKXWHYWXMQNUTG-JTQLQIEISA-N 329.242 1.543 0 40 EDAB CCN1C[C@@H](C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)CC1=O 75541157 KJEUIQHJLUMGCS-JTQLQIEISA-N 349.456 1.923 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)N1CCC[C@H]2CCC[C@@H]21 76086063 OTEHRSPBXUCLKD-CABCVRRESA-N 343.431 1.860 0 40 EDAB O=S(=O)(NC1CCN(C[C@@H]2CCCCO2)CC1)c1ccccc1 25044477 XUCLPZMAELOMMU-INIZCTEOSA-N 338.473 1.998 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N(C)Cc2cccc(Cl)c2)CC1 69773796 HRQJUSDXAQRGLG-AWEZNQCLSA-N 339.867 1.297 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2ccco2)[C@@H]1c1ccccc1F 72241588 BTQMBHTWTWBMGG-HOTGVXAUSA-N 332.331 1.633 0 40 EDAB CSc1nnc(C)n1NC(=S)NC(=O)c1cccc(F)c1 33528431 OMUHMAKIJSNHOP-UHFFFAOYSA-N 325.394 1.706 0 40 EDAB CCCCC[C@H](O)/C=C\[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CC(=O)O 33363625 RJHNVFKNIJQTQF-HTTURWOPSA-N 342.432 1.989 0 40 EDAB O=C(NCCCC(=O)N1CCc2ccccc2C1)NC[C@@H]1CCCO1 78988896 FOEFRLZAFMMDAC-KRWDZBQOSA-N 345.443 1.830 0 40 EDAB C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)O1 566287825 QQCYYKQSQJMEQA-UEKVPHQBSA-N 334.372 1.643 0 40 EDAB Nc1ncc(Cl)cc1S(=O)(=O)N1CC2(CCC2)[C@H]2COC[C@H]21 566844603 AVINOWUDNHMYKP-WDEREUQCSA-N 343.836 1.507 0 40 EDAB CNC(=O)c1ccc([C@H]2CN(C(=O)c3cscn3)CCO2)nc1 72388088 GEDZEXDHXSPXOR-CYBMUJFWSA-N 332.385 1.111 0 40 EDAB O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCc2[nH]cnc2C1 225515840 SGGJGWHDVWWMBO-ZIAGYGMSSA-N 338.411 1.684 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 46707698 OQBWIKXGEBCWGB-JTQLQIEISA-N 338.791 1.761 0 40 EDAB CCC(CO)(CO)NC[C@H](O)COc1ccc(C(C)(C)C)cc1C 40162339 AAQAFNPESQACTR-INIZCTEOSA-N 339.476 1.755 0 40 EDAB Cc1ccccc1-n1cc(C(=O)N2CCOC[C@]23CCOC3)cn1 194433680 LLEFHEBJUULNFX-GOSISDBHSA-N 327.384 1.812 0 40 EDAB Cn1nccc1CCNC(=O)NC1CCN(c2nccs2)CC1 225583997 DXAVXCQCDCSFFR-UHFFFAOYSA-N 334.449 1.387 0 40 EDAB CN(C)CCN1CCC(NC(=O)N2CC(C)(C)OC(C)(C)C2)CC1 190249256 ABDCEFKNSNEVNS-UHFFFAOYSA-N 340.512 1.611 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H](Oc2cnccn2)C1 225474272 WYRDICWYWMSXCT-CYBMUJFWSA-N 341.367 1.931 0 40 EDAB Cn1nc(C2CC2)nc1CN1CCNC(=O)C[C@H]1c1ccccc1 575918606 DCIGYLAMCMMAMS-HNNXBMFYSA-N 325.416 1.756 0 40 EDAB COCCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 223355790 YGHYMRGIGOLGQT-ZDUSSCGKSA-N 334.372 1.059 0 40 EDAB CC(C)CN1CCOC[C@H](Oc2ccc(S(C)(=O)=O)cc2)C1 85435980 QYRWJILZQLMHCF-OAHLLOKOSA-N 327.446 1.826 0 40 EDAB biogenic,in-vitro O=C(NCC[C@@H](O)c1cccs1)C(=O)Nc1ccc2c(c1)OCO2 77115472 KFABSRNMMQELQL-LLVKDONJSA-N 348.380 1.655 0 40 EDAB C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccn(C)c(=O)c1 421633935 ORXBZRTUPNOBFG-JSGCOSHPSA-N 334.416 1.968 0 40 EDAB CCCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225321120 MWHFLHOHZPVARO-UHFFFAOYSA-N 340.430 1.869 0 40 EDAB O=C(c1ccc[nH]1)N1CCC[C@]2(C[C@H](Oc3ncccn3)CO2)C1 96073680 LBUFQLAQLSOVKP-GUYCJALGSA-N 328.372 1.647 0 40 EDAB CN(C)CCOC[C@@H]1CN(C(=O)c2ccsc2)Cc2nnn(C)c21 96045449 XPSHLFLOAABODT-ZDUSSCGKSA-N 349.460 1.194 0 40 EDAB CN(C)c1ncccc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 96420483 CGMAQMMJBOSBOR-KRWDZBQOSA-N 340.427 1.987 0 40 EDAB Cn1cc(CN2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)cn1 96062422 KBJNUIPOSUPNHB-KRWDZBQOSA-N 347.488 1.601 0 40 EDAB COCCCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344324 CEJJHOBHNGXAIN-SNVBAGLBSA-N 334.351 1.208 0 40 EDAB CS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1cccc(N)c1 96519741 YNGDANDCEBZDRA-IUCAKERBSA-N 328.615 1.634 0 40 EDAB CC(C)Cn1cc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)cn1 96192174 RQXRZNDWBOPDMT-ZDUSSCGKSA-N 330.388 1.801 0 40 EDAB CN(CCN1CCCC1=O)c1ncccc1I 96419432 LSGHIUCCKJJFEX-UHFFFAOYSA-N 345.184 1.745 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(COCCN(Cc3ccco3)C2)C1 96202065 HJNUZSSAEIGESO-GOSISDBHSA-N 330.432 1.738 0 40 EDAB COC[C@H]1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC(C)(C)O1 583615022 AVLBGEVNMWPEDL-CQSZACIVSA-N 348.378 1.672 0 40 EDAB COCc1cccc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 583619521 CJNQUDYSJWDFRD-AEFFLSMTSA-N 339.395 1.930 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N[C@@H]2CCc3nnc(C(C)C)n3C2)no1 97199388 BELLMYUYBVJMJT-VXGBXAGGSA-N 332.408 1.630 0 40 EDAB CC(C)N(C)C[C@H]1CN(C(=O)c2cccn2C)Cc2nccn2C1 96188316 SINXPDJCGMZVTQ-OAHLLOKOSA-N 329.448 1.834 0 40 EDAB Cc1occc1C(=O)N1CC[C@]2(CC(C(=O)NCC(C)C)=NO2)C1 96225454 WOPSKTGETKQWLP-KRWDZBQOSA-N 333.388 1.721 0 40 EDAB Cc1cc(C(=O)N[C@H](C)CCN2CCOCC2)ccc1-n1cncn1 96426495 BTTTYGIRLPEKML-OAHLLOKOSA-N 343.431 1.416 0 40 EDAB O=C(c1ccncc1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 97098796 XPUSDTKDKXHGRF-UHFFFAOYSA-N 343.334 1.914 0 40 EDAB CN(C)C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2nccn2C1 96188201 MDJBIOLULNOYMY-HNNXBMFYSA-N 328.416 1.805 0 40 EDAB CCc1ccc(CC(=O)Nc2cccnc2N2CCNC(=O)C2)cc1 95401311 TZLHIBDJULQGRQ-UHFFFAOYSA-N 338.411 1.761 0 40 EDAB O=C(Cc1cccs1)N1C[C@@H]2OCCN(c3ncccn3)[C@@H]2C1 96246527 QXGDBCOCZOPMRP-KGLIPLIRSA-N 330.413 1.197 0 40 EDAB CN(C)c1ncnc2c1CCN(S(=O)(=O)c1cccs1)CC2 96255404 BBVXSZKHRGLDTE-UHFFFAOYSA-N 338.458 1.394 0 40 EDAB COC(=O)/C=C/c1ccc(OCCN2C[C@@H](CO)OC[C@H]2C)cc1 584908636 AQVKCVOXURZQRE-NKONXVNESA-N 335.400 1.333 0 40 EDAB CC(C)OC(=O)N1CC[C@H](S(=O)(=O)c2ccc(C(N)=O)cc2)C1 521824925 WEVRBPZPLDZEPU-ZDUSSCGKSA-N 340.401 1.179 0 40 EDAB CC(=O)NCC(=O)N1[C@H](CNC(=O)OC(C)(C)C)CC[C@H](C)[C@H]1C 585126286 VDHPLJYXIYGBDZ-SCRDCRAPSA-N 341.452 1.663 0 40 EDAB CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](O)CC(C)(C)C1 585130892 FQNZHDZLRZGHDM-DLBZAZTESA-N 348.443 1.449 0 40 EDAB COc1cc(CCC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)on1 585101497 ZSTBWYPIIJEMAS-ZDUSSCGKSA-N 335.404 1.381 0 40 EDAB CC(=O)NCc1cnc([C@H]2CN(C(=O)c3ccccc3F)CCO2)[nH]1 257218691 DEDAFRXAEIMZSO-OAHLLOKOSA-N 346.362 1.399 0 40 EDAB CN([C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1ccccc1 257323274 WJLPJDWYCVSLOD-BRWVUGGUSA-N 338.473 1.685 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@H](OCc4ccccn4)CCO3)C2)on1 253600792 ZLLLIHJWWZKGFA-OAHLLOKOSA-N 343.383 1.968 0 40 EDAB Cc1cccc(S(=O)(=O)NS(=O)(=O)c2ccccc2N)c1 255189710 ROJBQGCWJLQHNL-UHFFFAOYSA-N 326.399 1.244 0 40 EDAB CC[C@H](O)CN1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 252492161 MELBDNPNYQVLEL-HNNXBMFYSA-N 346.431 1.634 0 40 EDAB CC(=O)N[C@@H]1CCN(C(=O)c2c(-c3ccccc3)noc2[C@H](C)O)C1 253403970 QTFNWVIWQUHGRU-SMDDNHRTSA-N 343.383 1.746 0 40 EDAB biogenic,in-vitro COCCN1C(=O)CCC[C@H]2CN(C(=O)c3cscn3)CC[C@H]21 257299738 RRISKWIBYOIROT-GXTWGEPZSA-N 337.445 1.633 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCO1 257297202 RGHBJYFUQJSUOV-CQSZACIVSA-N 342.355 1.461 0 40 EDAB Cc1ncoc1C(=O)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257259134 KWZHHKOGZDGYDB-ZDUSSCGKSA-N 341.371 1.357 0 40 EDAB CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@H](c2nccnc2N)C1 257287573 PQMYMJKXDRHUIF-CQSZACIVSA-N 344.419 1.612 0 40 EDAB CS(=O)(=O)c1ccccc1CCNC(=O)[C@H]1NCC12CCCC2 1615544474 BQUKAEVGFOKNBX-OAHLLOKOSA-N 336.457 1.281 0 40 EDAB C[C@H]1CCCN(CCNC(=O)c2cnc3c(c2)NC(=O)CS3)C1 1615547767 DHKSKXUOMOLJCT-NSHDSACASA-N 334.445 1.588 0 40 EDAB Cc1c([C@@H]2[C@@H](CNCCCc3cnn(C)c3)CC(=O)N2C)cnn1C 1615590327 KMTDKERATBJJSL-QAPCUYQASA-N 344.463 1.204 0 40 EDAB C[C@]1(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)CCC(=O)NC1 606444885 KOCNWJWYNBCAAQ-KSSFIOAISA-N 327.384 1.991 0 40 EDAB C[C@@]1(CNC(=O)NCc2ccn(-c3ccc(F)cc3)n2)CCC(=O)N1 1615627429 ZPHIOIDIDIVIHO-KRWDZBQOSA-N 345.378 1.479 0 40 EDAB C[C@H](CNC(=O)c1nc(C(F)(F)F)n2ccncc12)N(C)C1CC1 1615605766 NKOXBDDUIYGIEM-SECBINFHSA-N 341.337 1.961 0 40 EDAB CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCNC[C@H]2F)c1 1616037657 AVVFIZZGCLNRHA-CHWSQXEVSA-N 348.827 1.563 0 40 EDAB CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@H]1CCCOc2c(Cl)cccc21 1616037841 MYSQQPNKCZDDOS-BFHYXJOUSA-N 345.848 1.955 0 40 EDAB CN(C)c1cnnc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 96098673 DMYLSBIYJZATFK-CMDGGOBGSA-N 337.427 1.905 0 40 EDAB COC(=O)c1cn([C@@H]2CCN(C(=O)Nc3cccc(C)c3F)C2)nn1 390834458 ZESMFZXVCSZALV-LLVKDONJSA-N 347.350 1.991 0 40 EDAB CC(C)CC(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CS2)C1 575402340 AWJJPWJATWOKQX-AWEZNQCLSA-N 340.489 1.758 0 40 EDAB O=C(Cc1ccc(F)cc1)OCCCn1nc2ccccn2c1=O 69841355 MJYGSWHLNGTRJF-UHFFFAOYSA-N 329.331 1.811 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ccc(O)nc1 585287835 FOOMKVQTLWLHBJ-SCLBCKFNSA-N 347.415 1.466 0 40 EDAB Cc1noc(CC(=O)N2C[C@@H]3CN(Cc4csc(C)n4)C[C@@H]3C2)n1 585107614 VDCDAGDYKUDYIT-BETUJISGSA-N 347.444 1.276 0 40 EDAB Cc1cccc(OC[C@]2(O)CCN(C(=O)CCn3ccnc3C)C2)c1 585277443 UPPJTRAXKHYKCI-IBGZPJMESA-N 343.427 1.932 0 40 EDAB COC[C@@H]1CCn2nccc2CN1C(=O)COc1ccc(F)cc1 585097257 JFLKWOIOOICAEU-HNNXBMFYSA-N 333.363 1.849 0 40 EDAB COc1nn(C)cc1C(=O)NCC1CCN(c2ccncc2)CC1 70928416 QBXKUULAILIOTK-UHFFFAOYSA-N 329.404 1.470 0 40 EDAB Cc1nc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)cs1 71834661 UOUAZNYYTZLQHT-UHFFFAOYSA-N 341.414 1.660 0 40 EDAB Cn1cc(NC(=O)CCc2ccc(Cl)s2)c(=O)n(C)c1=O 72292719 MFGFSYPEHBCBBW-UHFFFAOYSA-N 327.793 1.370 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CCN(CC(F)(F)F)CC1 53837523 BGZDGCQVIDUDHE-UHFFFAOYSA-N 339.321 1.587 0 40 EDAB O=C(CN1CCN(Cc2ccccn2)CC1)Nc1ccc(F)cc1 53811093 VAUQOVJLXHCZTO-UHFFFAOYSA-N 328.391 1.977 0 40 EDAB Cc1cn(CC(=O)NCCN2CCCS2(=O)=O)c2ccccc12 50631080 UEIWESPJZSFDPF-UHFFFAOYSA-N 335.429 1.101 0 40 EDAB CCN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@@H](C)c1cc2ccccc2o1 56277937 BSKDKAMYQKVUKC-LBPRGKRZSA-N 341.367 1.893 0 40 EDAB O=C(NCc1nccn1CCCc1ccccc1)[C@@H]1COCCO1 81931391 JXRDFZVGBABHGQ-INIZCTEOSA-N 329.400 1.548 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C3CC3)CC2)s1 85467055 SUKJHNYTXOTJHA-CYBMUJFWSA-N 330.475 1.134 0 40 EDAB Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H](N)C1 94870728 HIWGDPAXNGIEPM-MRVPVSSYSA-N 339.280 1.931 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N1CCO[C@@H](CCc2ccccc2)C1 97109979 MDOSAUHWJHBRRT-RDJZCZTQSA-N 343.431 1.710 0 40 EDAB CN(Cc1nnc2n1CCN(C)C2=O)C(=O)CC1CCC(C)(C)CC1 1616037757 FOPJVMNRXNKNCL-UHFFFAOYSA-N 347.463 1.929 0 40 EDAB O=C(Nc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(C(=O)O)cc1 5569560 RDIKXXYAJDYCSZ-UHFFFAOYSA-N 328.280 1.660 0 40 EDAB O=C(Cn1cccnc1=O)N[C@H](Cc1ccsc1)c1nccs1 12226988 KEEVLAKCQXATCC-GFCCVEGCSA-N 346.437 1.862 0 40 EDAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)O)C(=O)[C@@H]1C2 12901025 JEMAGXAQQLLWAC-LBPRGKRZSA-N 348.355 1.258 0 40 EDAB biogenic Cn1c(=O)c2c(NC(=O)c3ccc(Cl)cc3)ccnc2n(C)c1=O 13011014 LJVSHGFDTNFPLC-UHFFFAOYSA-N 344.758 1.538 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)NCCCOCC)ccc1OC 16681795 CDUBSDSHTZFHGP-UHFFFAOYSA-N 344.433 1.150 0 40 EDAB O=C(Cn1cccnc1=O)N[C@@H](Cc1ccsc1)c1ccccn1 19400971 FQNBTZHVNHBHSI-HNNXBMFYSA-N 340.408 1.800 0 40 EDAB CCN1CCN([C@H](CC(C)C)c2nnnn2C[C@H]2CCCO2)CC1 19527897 TUEIZGZBLUQOPI-HZPDHXFCSA-N 336.484 1.577 0 40 EDAB COCCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 19855534 BFESUKGWCQUKPF-UHFFFAOYSA-N 334.825 1.259 0 40 EDAB CC[C@H]1CN(CCC(=O)NC2CCCCC2)CCN1C[C@H](C)O 106869449 RXZAGOOCKXJCHB-RDJZCZTQSA-N 325.497 1.602 0 40 EDAB CC(=O)N1CC2(CCN(Cc3cnn(C)c3)CC2)C[C@H](O)C1(C)C 643913799 HQFUYYREADKJPU-INIZCTEOSA-N 334.464 1.394 0 40 EDAB O=C(NCC1CCN([C@H]2CCOC2)CC1)[C@@H]1COc2ccccc2O1 575605201 BFOIOMVLJVGKIB-YJBOKZPZSA-N 346.427 1.444 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2cccc(O)c2)NC(=O)N[C@@]1(O)C(F)(F)F 19898490 PJNBCPGIVGWJIH-KWBADKCTSA-N 348.277 1.176 0 40 EDAB O=C([C@H]1CN(c2ncnc3ccsc23)CCO1)N1CCCCC1 1888842967 VPZVTMDBYDETOW-CYBMUJFWSA-N 332.429 1.909 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(c3ccnc(C4CC4)n3)CC2)n1 1888856748 KFPQBTQMCOFBCW-UHFFFAOYSA-N 339.447 1.845 0 40 EDAB Cc1cc(C)nc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)n1 1888867137 ZQRZQLRMYPLNJN-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB NC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1 15243395 UKJMJYLLAAQYAV-UHFFFAOYSA-N 326.355 1.346 0 40 EDAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)CC3(O)CCC3)CC2)C1 1614947344 KPDSRTOYTRUWTE-CQSZACIVSA-N 338.448 1.214 0 40 EDAB COCCN1C[C@]2(COCCN(Cc3cccc(F)c3)C2)CC1=O 1614947343 VYNSGMQLIPSEOA-SFHVURJKSA-N 336.407 1.523 0 40 EDAB CN(C)CCN1C(=O)CC[C@@]12CCCN(C(=O)c1cc[nH]c1)CC2 1565550271 WZYCOGWLPMCJNO-GOSISDBHSA-N 332.448 1.564 0 40 EDAB O=S(=O)(c1ccccc1Cl)N1CCCN([C@H]2CCOC2)CC1 1565522602 VIEUFBWRFYAOKE-ZDUSSCGKSA-N 344.864 1.825 0 40 EDAB CN(C)C(=O)COCc1nnn2c1CN(CC1CCCCC1)CCC2 2055718126 VSJOGGFOOWDRSN-UHFFFAOYSA-N 349.479 1.669 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)CCc2ccccc2)C1 2055772710 SNXNCVWLPWGRPT-LJQANCHMSA-N 340.427 1.580 0 40 EDAB CC(C)NC(=O)c1noc2c1C[C@@H](NC(=O)C1CCOCC1)CC2 2055734746 QOFSVBWAXHMLFZ-LBPRGKRZSA-N 335.404 1.213 0 40 EDAB O=C(CN1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1)N1CCCC1 2055835026 RCMUHXIETYLRAR-VQIMIIECSA-N 345.443 1.706 0 40 EDAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)C(=O)Nc1ccon1 1775968960 PQJIEBXIVUZVRT-SNVBAGLBSA-N 347.352 1.784 0 40 EDAB Cn1c(-c2ccccn2)nn(CC(=O)N2CCCc3ccccc32)c1=O 206640082 OTUNOFKJPVDBDV-UHFFFAOYSA-N 349.394 1.623 0 40 EDAB Cc1cc(O[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)cc(=O)o1 206963477 NYQOXCBMHPZOIM-CYBMUJFWSA-N 343.335 1.970 0 40 EDAB O=C(Nc1cccc(F)c1)C1CN(c2cc(-n3cncn3)ncn2)C1 575610202 UNOOUVLKHCNPHL-UHFFFAOYSA-N 339.334 1.271 0 40 EDAB O=C(CN1c2ccccc2N(C2CC2)S1(=O)=O)NCc1ccco1 585147780 CPWHHEJQWNZILX-UHFFFAOYSA-N 347.396 1.630 0 40 EDAB CCc1nc2ccc(C(=O)NCCOCCn3cncn3)cc2s1 606440606 GQCSQBXUKPVOSF-UHFFFAOYSA-N 345.428 1.897 0 40 EDAB CCOCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 225726928 PWKFKDDVPWODGL-UHFFFAOYSA-N 346.353 1.925 0 40 EDAB CN(C(=O)c1ccc(Cn2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 10431688 BCAHJNBJWKUXMG-HNNXBMFYSA-N 333.413 1.191 0 40 EDAB COc1ccc([C@@H](CNC(=O)N2CCC2)N2CCOCC2)cc1OC 40477698 PLCLHZPACMUPJM-OAHLLOKOSA-N 349.431 1.492 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 31939072 HVVGACXIABSXKS-MRXNPFEDSA-N 337.445 1.155 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 51443402 GALKICPHASRZIT-OAHLLOKOSA-N 331.416 1.181 0 40 EDAB CN1N=C(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)CCC1=O 32199031 PQUODRGFUGMXHD-UHFFFAOYSA-N 348.834 1.592 0 40 EDAB Cc1nn(C)cc1C1=NO[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 101504979 WOUHGFYZNXQCSH-GXTWGEPZSA-N 344.758 1.674 0 40 EDAB COc1cccc([C@H]2C=C(C(=O)O)Nc3nnnn32)c1OC(C)C 101675681 RCDPMZJKICMEBG-LLVKDONJSA-N 331.332 1.452 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)Cn2cccnc2=O)c(OC)c1 32806850 JBTZCIJXORMXGT-HNNXBMFYSA-N 343.383 1.624 0 40 EDAB NC(=O)C1(CNC(=O)c2csc(-c3ccccc3)n2)CCOCC1 52743464 URIAZUZIUAUOCZ-UHFFFAOYSA-N 345.424 1.822 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccccc2O)CC1 33002131 BVZBJBVINGORDU-GOSISDBHSA-N 340.379 1.881 0 40 EDAB Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ncccc2O)no1 22262788 GNSFRMGPZLCTRL-VIFPVBQESA-N 336.373 1.783 0 40 EDAB O=C(CC(F)(F)F)NCc1ccc(S(=O)(=O)NC2CC2)cc1 53678678 HEVXQOXCFMQSSU-UHFFFAOYSA-N 336.335 1.696 0 40 EDAB Cc1ccccc1Cn1cnc(NS(=O)(=O)c2cn(C)nc2C)n1 2804380 CFZUSFUJXZPRAX-UHFFFAOYSA-N 346.416 1.478 0 40 EDAB CCOC(=O)c1nn(-c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1O 90182 AAODKEYBNZGFOI-UHFFFAOYSA-N 348.311 1.328 0 40 EDAB COc1ccccc1NC(=O)C[C@H]1SC(N2CCOCC2)=NC1=O 12390547 OYOVEMUKBLFFLT-CYBMUJFWSA-N 349.412 1.354 0 40 EDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 22903515 LYXAMYDTFOJZHG-UHFFFAOYSA-N 333.369 1.944 0 40 EDAB O=C1NC(=O)[C@]2(CCN(C(=O)C3CCC(c4ccccc4)CC3)C2)N1 72300832 WNWCPPHLXZDVCR-JFIBYHEFSA-N 341.411 1.771 0 40 EDAB COc1cccc(CC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)c1 47635271 DYSGDIZWUYNTSA-WMZOPIPTSA-N 348.443 1.091 0 40 EDAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CC4)cnc32)cc1C 1330656 WPTFWQVKXIXGJM-UHFFFAOYSA-N 337.383 1.478 0 40 EDAB Nc1ccc(S(=O)(=O)c2ccc(N3CCOCC3)c(N)c2)cc1 1702467 BVZXUYMUEMZVBO-UHFFFAOYSA-N 333.413 1.520 0 40 EDAB COC(=O)c1cc(CNC(=O)CN2CCCCCC2=O)ccc1OC 42524688 OIAIQXHESBKWGT-UHFFFAOYSA-N 348.399 1.501 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC2CCCC2)C1=O 3462339 XWXIFUAVEQNPCG-GOSISDBHSA-N 329.400 1.903 0 40 EDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(O)cc1 3508042 VHLJMWBPNMBLNR-UHFFFAOYSA-N 329.308 1.974 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2ccccc2)NC(=S)N[C@]1(O)C(F)(F)F 3901550 MOODWPVZKBDFAL-GBIKHYSHSA-N 348.346 1.636 0 40 EDAB NC(=O)[C@H]1CN(C(=O)Cc2cn3ccsc3n2)c2ccccc2O1 12582224 OQRJRENVWKSVTH-CYBMUJFWSA-N 342.380 1.218 0 40 EDAB COc1cccc(OC[C@H](O)Cn2c(CO)nc3ccccc32)c1 4906826 RAZYPDFJQMQOTB-CYBMUJFWSA-N 328.368 1.977 0 40 EDAB CC[C@H](C)NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 4995688 JWBNTWPKSFAOGE-NSHDSACASA-N 344.433 1.385 0 40 EDAB C[C@H]1CCCCN1[C@H](C)CNC(=O)c1cccnc1N1CCOCC1 106087946 KAELVCMBLCSAMC-JKSUJKDBSA-N 346.475 1.911 0 40 EDAB O=C(CCNC(=O)c1n[nH]c(=O)c2ccccc12)NC1CCCCC1 84593203 FYPUOPSFRMIJLR-UHFFFAOYSA-N 342.399 1.492 0 40 EDAB CC(=O)NCc1ccc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 43282537 XCSPEOJVAKPCFX-QGZVFWFLSA-N 342.399 1.951 0 40 EDAB CCCn1c(=O)n(CC(=O)N[C@H](C)Cn2ccnc2)c2ccccc21 47931763 GHVWTTRJXAIGEB-CQSZACIVSA-N 341.415 1.614 0 40 EDAB CCN(CC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H](C)CS(C)(=O)=O 106798804 LCKDWENGZNRWHU-QRJUGERDSA-N 344.521 1.682 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@H](C(C)C)C2=O)c1C 8325478 INIXHPDHFLQFDG-CYBMUJFWSA-N 349.387 1.567 0 40 EDAB CC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 3283210 NJKOLYAEHSGAIC-UHFFFAOYSA-N 335.360 1.426 0 40 EDAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@@H](C)C(=O)N1CCCC1 48274025 STLVDRFJLJKVEM-ZDUSSCGKSA-N 347.440 1.864 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)Cc1ccc(OC(F)(F)F)cc1 48221434 MZHLVKBYSBNZST-LBPRGKRZSA-N 346.349 1.965 0 40 EDAB CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 58296157 XTBMFDARKXQTAQ-JTQLQIEISA-N 348.827 1.968 0 40 EDAB CC(C)N(C)CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 58299658 WWPPZIPXWMCONF-LJQANCHMSA-N 346.519 1.822 0 40 EDAB CCN(CC)C(=O)N1CCN(Cc2nc(-c3ccco3)no2)CC1 44917147 AXFVGQGBISUIPU-UHFFFAOYSA-N 333.392 1.909 0 40 EDAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)C(C)C 44954031 DQZCRRRWZDKEIS-HNNXBMFYSA-N 346.475 1.846 0 40 EDAB CC(C)N(C)S(=O)(=O)NCc1ccc(N2CCCC2=O)cc1 44944686 BKWGEMAOBCGLPC-UHFFFAOYSA-N 325.434 1.488 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)[C@@H](C)n1cncn1)N1CCCC1 44910933 UEJRWYARKPALDE-GDBMZVCRSA-N 343.431 1.801 0 40 EDAB CCN(CC)[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1ccsc1 44937532 YNZMGSIWFSACFU-AWEZNQCLSA-N 342.490 1.843 0 40 EDAB CCN(C[C@@H](C)C(=O)OC)C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 58393217 WOZRVYIVNDYCMB-ABAIWWIYSA-N 336.363 1.976 0 40 EDAB CCc1noc(C)c1C(=O)N1CCC(NC(=O)c2ccncc2)CC1 58305474 GLKPHVOWLAZFRC-UHFFFAOYSA-N 342.399 1.975 0 40 EDAB O=C(Cn1c(C2CC2)nc2ccccc21)N[C@H]1CCS(=O)(=O)C1 58342550 SOXMBEDQNPLVRF-LBPRGKRZSA-N 333.413 1.217 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cc2ccccc2F)CC1 58391471 HWJXNSAEKVRQSU-INIZCTEOSA-N 333.407 1.309 0 40 EDAB CCn1nnc2cc(C(=O)N[C@@H](C)c3nnc4ccccn34)ccc21 48374328 ABOJIWBJHOVMGW-NSHDSACASA-N 335.371 1.985 0 40 EDAB Cn1cc(-c2nc(CN3C(=O)N[C@@]4(CCSC4)C3=O)cs2)cn1 48331460 QIKJIKDHECAAFL-CQSZACIVSA-N 349.441 1.471 0 40 EDAB Cc1nn(Cn2ccc(C(=O)N(C)C)n2)c(C)c1Br 27973335 YVSSALRKOKPPMM-UHFFFAOYSA-N 326.198 1.667 0 40 EDAB COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)C[C@H]1CCCO1 46117658 DIOKHRRUJUMHCZ-VXGBXAGGSA-N 327.402 1.616 0 40 EDAB Cn1cc(Cl)c(C(=O)NCCn2cc(Br)cn2)n1 2776733 WAHFCPIIISRLQN-UHFFFAOYSA-N 332.589 1.463 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)c1 26670630 RIEUBQFVTAIJOG-UHFFFAOYSA-N 349.412 1.234 0 40 EDAB CC(=O)NCCCNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 46905543 MBMIESYHSLOQNF-OAHLLOKOSA-N 347.415 1.831 0 40 EDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NC2CCCCC2)cc1 20245473 OJTZYWHUWPPYJU-UHFFFAOYSA-N 339.461 1.992 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC(CCN(C)C)CC2)C1 95365109 WAXGFGMVZWSORV-HUUCEWRRSA-N 331.526 1.873 0 40 EDAB COc1ccc(-c2nc(NC(=O)Cn3cnnn3)sc2C)cc1 3444110 PQRZONQIULTWJL-UHFFFAOYSA-N 330.373 1.752 0 40 EDAB COc1ccc(C(=O)N[C@@H](C(=O)NC[C@H]2CCCO2)C(C)C)cc1 3456248 JEEVVQOMSWRZQO-HZPDHXFCSA-N 334.416 1.745 0 40 EDAB COCCNC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 6032538 RWOMCBUSRMMFRX-UHFFFAOYSA-N 337.372 1.085 0 40 EDAB C[C@H](CCc1cccc(F)c1)NC(=O)C(C)(C)NS(C)(=O)=O 95401907 DRBKQZDABNOPHI-LLVKDONJSA-N 330.425 1.591 0 40 EDAB COCC[C@@H]1CN(c2ncnc3sc4c(c23)CCNC4)CCO1 65395794 YUBCMWFXMIZYGX-LLVKDONJSA-N 334.445 1.579 0 40 EDAB COc1ncccc1CNC(=O)N[C@@H]1CCCc2c1cnn2CCO 65417434 ZVXHRBPGZYWWSR-CQSZACIVSA-N 345.403 1.156 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)NCc2cc(F)cc(F)c2)CC1 65443692 LIPUESVVQYYOLO-UHFFFAOYSA-N 347.387 1.188 0 40 EDAB COc1ccc2c(ccn2CC(=O)N(CC(N)=O)C2CCCC2)c1 65474906 VTRYRKNLEBLOQR-UHFFFAOYSA-N 329.400 1.906 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 65446512 KLWKGTIGTRNQNI-VXGBXAGGSA-N 327.388 1.827 0 40 EDAB CNC(=O)C1CCN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CC1 65577839 KSMHAFJHTGNWSF-UHFFFAOYSA-N 341.415 1.744 0 40 EDAB Cc1cc(C(=O)CN2CCNC(=O)C2)c(C)n1CCc1ccccc1 14111502 LMIRLOKBOXFQIO-UHFFFAOYSA-N 339.439 1.962 0 40 EDAB CNC(=O)C1CCN(C(=O)NC[C@@H](C)Cn2nc(C)cc2C)CC1 65605726 UJHGOWWYCSSDEZ-GFCCVEGCSA-N 335.452 1.304 0 40 EDAB COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NCc1ccoc1 416391085 OJCFSYUCTXTMCI-UHFFFAOYSA-N 339.369 1.482 0 40 EDAB COc1ccc(CNC(=O)COn2nnc3ccc(Cl)cc32)cc1 5458067 SATWFGAUMPMFBF-UHFFFAOYSA-N 346.774 1.838 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)CCNC(=O)c2ccco2)c1 14515937 KKMUQXVMIHKCSD-UHFFFAOYSA-N 340.343 1.229 0 40 EDAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 15416337 UXOLYUPRKGVNBZ-GFCCVEGCSA-N 348.428 1.151 0 40 EDAB CC(C)CN1C(=O)C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1=O 19882070 LTCRYLPTXHAORO-MRXNPFEDSA-N 333.407 1.731 0 40 EDAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)NC[C@@H](O)c2ccccc2)cc1 67839776 SQVQTPALTGUPEG-QGZVFWFLSA-N 337.379 1.937 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(OCC)cc2)CC1 71881947 ZTYPVJPPZBXCQM-MRXNPFEDSA-N 336.432 1.241 0 40 EDAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCCN(c2cccnn2)CC1 71860323 OUZQPAZACGOYDF-UHFFFAOYSA-N 349.394 1.671 0 40 EDAB Cc1cccc(C)c1NC(=O)CCCOC(=O)C1=NNC(=O)CC1 8316390 ZCKIPXGAHRWYOL-UHFFFAOYSA-N 331.372 1.831 0 40 EDAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCCn1ccnc1 69459275 PFPCNOBXXWBRDB-LLVKDONJSA-N 326.422 1.309 0 40 EDAB Cc1occc1C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 69493650 LBJRQXPJTCWCQE-UHFFFAOYSA-N 342.399 1.452 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)NCc1ccc(C(=O)O)cc1 8429568 YGWFIWJAEPPFCO-UHFFFAOYSA-N 333.365 1.718 0 40 EDAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 8580018 PVFXAXSVHVLXID-UHFFFAOYSA-N 345.355 1.309 0 40 EDAB CC(=O)Nc1nc(CN2CCC[C@H]2Cn2nc(C)nc2C)cs1 69739127 KKKJAZIWFKJMIO-AWEZNQCLSA-N 334.449 1.974 0 40 EDAB CCCCN(C)c1ccc(NC(=O)N2CCN(CC(N)=O)CC2)cc1 71886084 HUKTUQVNPKEIRJ-UHFFFAOYSA-N 347.463 1.558 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)CCOCC(F)(F)F)CC1 69924087 ANTSWKJMNBJIDT-GFCCVEGCSA-N 340.386 1.507 0 40 EDAB Cn1c(C(=O)N2CCN(CC(C)(C)O)CC2)cc(Cl)c1Cl 69951212 WOYYXAJYQQPZQZ-UHFFFAOYSA-N 334.247 1.861 0 40 EDAB C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1cc[nH]n1 71911638 KGSBFEOZKNUWFQ-PWSUYJOCSA-N 338.408 1.786 0 40 EDAB O=C(CN1CCCNC1=O)NC[C@H](O)c1ccccc1C(F)(F)F 70830213 FBOZMJMFMJFAKB-LBPRGKRZSA-N 345.321 1.270 0 40 EDAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O 95450337 DQVZHORISLKLPM-OCCSQVGLSA-N 346.470 1.224 0 40 EDAB CN1N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 19171838 HZVOWVGSMXQICA-BZUAXINKSA-N 329.400 1.570 0 40 EDAB CC(C)OCCC(=O)N(C[C@H]1CN(C)CCO1)c1nccs1 95402142 YTHNFYRQGHDVSI-CYBMUJFWSA-N 327.450 1.622 0 40 EDAB C[S@](=O)c1ncn(C[C@H](O)Cc2ccccc2C(F)(F)F)n1 95438974 NLLAGSDPOAUXCA-ZQJOYCHOSA-N 333.335 1.638 0 40 EDAB 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CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75119814 PAKZLTUVTPTQDV-INIZCTEOSA-N 341.411 1.932 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(OCC(F)F)n1 89738403 KIUGIUASFRFMSJ-LLVKDONJSA-N 327.331 1.466 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H]1CN1CCCCC1 75506323 CIDWRXABSNLLRT-CABCVRRESA-N 333.432 1.875 0 40 EDAB NC(=O)CN1CCC[C@@H]1c1ccc(I)cc1 76119780 VSNSDEUOFVCFDC-LLVKDONJSA-N 330.169 1.913 0 40 EDAB N[C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3nc[nH]c4nccc3-4)C2)C1 1549293103 RJXVBBLRWMODEP-YRGRVCCFSA-N 329.404 1.268 0 40 EDAB COc1ccc(CCn2c(=S)[nH]cc(C(=O)O)c2=O)cc1OC 20156263 OMYLADGCHHVMKI-UHFFFAOYSA-N 336.369 1.864 0 40 EDAB O=C(Nc1ccsc1C(=O)NC[C@@H]1CCCO1)c1cnccn1 67335666 YRHQIHXLBZZJQD-JTQLQIEISA-N 332.385 1.699 0 40 EDAB COc1cccc(OC)c1OC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 33645314 SVHIBLHKENVHQS-MCIONIFRSA-N 325.405 1.553 0 40 EDAB COc1ccc(CC(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1 32915627 OVUZKMXVKUHUMV-UHFFFAOYSA-N 341.367 1.092 0 40 EDAB Cc1cc(C(=O)NCCn2nc(-c3ccccc3)n(C)c2=O)c(C)o1 36708575 YMFXCDILDATDRE-UHFFFAOYSA-N 340.383 1.889 0 40 EDAB CCn1cccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 35214440 GTBUCULEMFTSTE-LCYFTJDESA-N 343.339 1.981 0 40 EDAB COC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)nc1C 79489208 BYESWLFXILCALQ-SNVBAGLBSA-N 339.417 1.681 0 40 EDAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCN(CC(N)=O)C2)n1 72383582 XYDWEMYRZVWGQW-CYBMUJFWSA-N 326.404 1.507 0 40 EDAB CC(=O)N1CC[C@@H](CNC(=O)c2cc(Cc3ccccc3)[nH]n2)C1 566353635 KKIYSWLCYUCDFR-HNNXBMFYSA-N 326.400 1.599 0 40 EDAB Cc1cc(O)c(I)c(=O)n1Cc1ccncc1 225733258 IBEIDTPMPXVPRK-UHFFFAOYSA-N 342.136 1.910 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)n1)Nc1ccc(F)cc1 224218948 FFQHHKMHYOCQDF-UHFFFAOYSA-N 331.351 1.774 0 40 EDAB C[C@@H]1[C@H](C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)[C@H]1c1ccccc1 572167612 LQELDYZAKJLBJS-MHEUCROKSA-N 325.416 1.941 0 40 EDAB Cc1cnc([C@@H](NS(=O)(=O)c2c(N)noc2C)C2CC2)s1 576659186 FLVBGSNQONVTNO-VIFPVBQESA-N 328.419 1.760 0 40 EDAB O=S(=O)(Cc1ccon1)N1CCC[C@@H](c2nncn2C2CC2)C1 329367468 IWRYRDIOPAWQQG-LLVKDONJSA-N 337.405 1.310 0 40 EDAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CC[C@@H](N2CCCC2)C1 81081798 AFGAUHMIWLFVEI-HZPDHXFCSA-N 333.436 1.764 0 40 EDAB O=C(NCc1cccs1)N1CCN(C[C@H](O)c2ccco2)CC1 85466845 JHPVRADZQJPKPG-AWEZNQCLSA-N 335.429 1.902 0 40 EDAB CS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccccc1F 222907122 LBHOFXVARUBHJV-UHFFFAOYSA-N 328.409 1.600 0 40 EDAB COc1ccccc1CNC(=O)CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O 583614678 CILNBCIKXOEOOZ-ZACQAIPSSA-N 348.443 1.173 0 40 EDAB Cn1cc([C@@H]2C[C@@H](NS(=O)(=O)CCc3ccccc3)CCO2)cn1 583651076 DWGOQEOFLYXJMQ-IRXDYDNUSA-N 349.456 1.802 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@@]3(COCCN(CC4CC4)C3)C2)c1 96076337 WCYMBQXUDDWSMG-SFHVURJKSA-N 332.448 1.385 0 40 EDAB COCCn1ccc2cc(NC(=O)NCc3ncnn3C)ccc21 96434662 DQAFIONIFAHFOF-UHFFFAOYSA-N 328.376 1.738 0 40 EDAB Cc1ccc(C(=O)N2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)o1 96050845 SYRZZMXSNXIIDM-KRWDZBQOSA-N 326.356 1.647 0 40 EDAB CN1C(=O)C[C@H](c2ccncc2)C12CCN(C[C@H]1CCOC1)CC2 96069800 OULAWYYDOZYMPN-NVXWUHKLSA-N 329.444 1.898 0 40 EDAB CCOC(=O)CN1CCC2(CC1)CN(c1ccc3c(c1)OCO3)C2=O 96202983 LBACAFVNRLQWGU-UHFFFAOYSA-N 346.383 1.407 0 40 EDAB Cc1nnnn1-c1ccccc1C(=O)N[C@@H](C)c1nnc2ccccn12 95472267 KHGNLFZRKWWERK-NSHDSACASA-N 348.370 1.504 0 40 EDAB COc1cccc(N2CCC[C@H](NC(=O)c3ccn(C)c(=O)c3)C2)c1 96409289 NQTPHYQUYUMAHV-HNNXBMFYSA-N 341.411 1.793 0 40 EDAB CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cccs3)C2)O1 96207663 OEZCWSAIHWUIKL-UKRRQHHQSA-N 344.502 1.811 0 40 EDAB CC(C)CN1CCNC(=O)C12CCN(C(=O)c1ccccn1)CC2 96230182 XKZGHEQSULKPGY-UHFFFAOYSA-N 330.432 1.144 0 40 EDAB Cn1ncc2c1CN(C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C2 585087729 LIDVFLQBUBXHOK-UHFFFAOYSA-N 340.427 1.990 0 40 EDAB O=c1cccnn1C[C@@H]1CN(CC2CCCC2)Cc2nccn2C1 96188739 KOKNTLJVIJKGAD-MRXNPFEDSA-N 327.432 1.762 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCO[C@H](c3cc(C)nc(C)n3)C2)CC1 257215866 CSAFDWBMUZIXSC-KRWDZBQOSA-N 346.431 1.252 0 40 EDAB CCN1CCN(c2nn(-c3ccccc3OC)nc2C(=O)O)CC1 256049404 ZSSIMEDVLRJUKX-UHFFFAOYSA-N 331.376 1.116 0 40 EDAB O=C(Cn1ncccc1=O)N[C@H]1CC[C@H](Oc2ccccn2)CC1 252572380 ZEBJOAIBUROSOY-HDJSIYSDSA-N 328.372 1.145 0 40 EDAB COC(C)(C)C(=O)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 257238857 HMVNXXWKPFJIMM-CYBMUJFWSA-N 332.404 1.172 0 40 EDAB CCn1cc(CN2C[C@@H](O)[C@H](Oc3ccc(C(=O)O)cc3)C2)cn1 257248874 JFPMANIMSSNOPM-HZPDHXFCSA-N 331.372 1.225 0 40 EDAB O=C(NC[C@@]1(O)CCN(c2ncccn2)C1)c1ccc2c(c1)CCC2 257303185 SGDGCURPQAWDKT-IBGZPJMESA-N 338.411 1.337 0 40 EDAB Cc1cccc(C[C@@H]2CCCN(C(=O)Cn3cccnc3=O)C2)n1 257258962 KWFUKSVWQKZQIT-HNNXBMFYSA-N 326.400 1.428 0 40 EDAB O=C(COc1ccc(F)cc1)N1CCOC[C@H]1CCc1cnccn1 257295754 QZRXUKJCZONQBR-MRXNPFEDSA-N 345.374 1.855 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)cc1 257295440 QYHBLPCRQRHLSK-LJQANCHMSA-N 340.427 1.889 0 40 EDAB Cc1cc(O)nc([C@@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)n1 257298436 RLOZVSRSCKJYFO-NSHDSACASA-N 337.405 1.140 0 40 EDAB Cc1noc(C)c1C(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257227809 FQZMJJFLGVVZOX-GOSISDBHSA-N 344.415 1.790 0 40 EDAB Cc1cccnc1N1CCC[C@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257286465 PLRHMAMCSAYGHZ-CYBMUJFWSA-N 334.445 1.976 0 40 EDAB O=S(=O)(c1ccc(F)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257268617 MMLSOQWJOFTAKS-HZPDHXFCSA-N 337.372 1.639 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(Cc3cnccn3)CCN2C)c1 257228812 FVIYHLIEGULNCW-QGZVFWFLSA-N 325.416 1.325 0 40 EDAB CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)c1cncs1 257271489 MYOFTHLODFOCMH-MRXNPFEDSA-N 332.429 1.642 0 40 EDAB CO[C@@H]1CNC[C@H]1NC(=O)Cc1cccc(OCC(F)(F)F)c1 1615629078 AOUQXJCLANSDNH-CHWSQXEVSA-N 332.322 1.273 0 40 EDAB C[C@H]1CC[C@H](NC(=O)NCc2cnn3ccccc23)CS1(=O)=O 664877831 KFFSHAKXIODBNG-AAEUAGOBSA-N 336.417 1.099 0 40 EDAB Cn1cc(NC(=O)CN2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)cn1 585277952 YAXFGPWIEBPUBW-IRXDYDNUSA-N 346.406 1.566 0 40 EDAB O=C(Cc1ccccc1)N1CCOC[C@@](O)(COc2ccccc2)C1 585268861 BSRPBSCTRWGBCK-HXUWFJFHSA-N 341.407 1.898 0 40 EDAB CCn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1ncn(C)n1)C2 585110821 LBWFYPVWVZVJTM-AWEZNQCLSA-N 344.419 1.198 0 40 EDAB COCC(=O)N1CCn2c(CCOc3ccccn3)cnc2[C@H]1C 585097063 FHZVWOMAYSGQHF-CYBMUJFWSA-N 330.388 1.449 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H]1CCN(C(C)C)C1 68974683 GGJBCXNEGHPMQT-HNNXBMFYSA-N 344.463 1.520 0 40 EDAB CCC[C@H](C)CC(=O)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 69629704 XRMQPJGIZCPHIM-LBPRGKRZSA-N 340.445 1.954 0 40 EDAB COCCNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(C(C)=O)C2 72373389 CALUIZWOROUYHS-CQSZACIVSA-N 347.463 1.249 0 40 EDAB Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]1CO 133356368 QTFDOFIWUHPZSK-LLVKDONJSA-N 334.235 1.903 0 40 EDAB CONC(=O)CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 45013665 CCMVFHAJOINZSR-QGZVFWFLSA-N 331.372 1.443 0 40 EDAB CC(=O)NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1 1775964216 XDXDTHGOHLHIIK-AWEZNQCLSA-N 328.372 1.612 0 40 EDAB biogenic,in-vitro O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@H]1c1ccsc1 53271336 VMMDUGMFXFLBAU-ZDUSSCGKSA-N 328.459 1.142 0 40 EDAB CN(CCCc1nc(-c2cccs2)no1)[C@@H]1CCS(=O)(=O)C1 50820846 SZRZXKFOKIYARD-LLVKDONJSA-N 341.458 1.850 0 40 EDAB CCOc1ncccc1CNC(=O)N1CCN(c2cnn(C)c2)CC1 74849360 YYBGBXLHCMGCDY-UHFFFAOYSA-N 344.419 1.246 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)Cc3ccn(C(C)C)n3)CCO2)n1 83829935 NBXVSGPSRDUABZ-ZDUSSCGKSA-N 332.408 1.287 0 40 EDAB CC(C)[C@@H](CNC(=O)CN(C)S(C)(=O)=O)Nc1ccccc1 58282041 STIQQPXPMXYSRW-CQSZACIVSA-N 327.450 1.131 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H]1N(C)C 78896654 PLUSHZALKKHQKX-ZWNOBZJWSA-N 344.864 1.766 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 41132734 UNDHWAISBDVKDO-MVIFTORASA-N 328.290 1.932 0 40 EDAB COC(=O)c1sccc1C(=O)N1CC[C@H](OC(=O)N(C)C)C1 1616032827 TXWCBBWGSGCLSC-VIFPVBQESA-N 326.374 1.447 0 40 EDAB CCn1c(N2CCC[C@H](C(=O)NC[C@@H](C)O)C2)nc2ccccc21 12145844 DLBRBTCKTBGDOD-KGLIPLIRSA-N 330.432 1.770 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)NC12CC3CC(CC(C3)C1)C2 12810020 JODPBUBWFPZGSU-SJXRWQQJSA-N 348.476 1.602 0 40 EDAB CCc1nnc2n1C[C@@H](c1ccc(NC(=O)CNC(C)=O)cc1)CC2 19699130 ZIDFHCOVKBJVIO-AWEZNQCLSA-N 341.415 1.645 0 40 EDAB COc1ccc(CN2CC[C@@]3(NC(C)=O)CN(C(C)=O)C[C@H]3C2)cc1 19713044 OLDNWKFDLIUBRQ-IEBWSBKVSA-N 345.443 1.254 0 40 EDAB CCn1cc(-c2cc(N[C@@H](C)C(=O)N3CCCCC3)nc(N)n2)cn1 19718061 GEEXTQRCBMQJSV-LBPRGKRZSA-N 343.435 1.755 0 40 EDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC[C@@H](N2CCOC2=O)C1 606440545 ADWFGUKQIYXLLZ-VXGBXAGGSA-N 348.355 1.236 0 40 EDAB CO[C@H]1[C@H](CNC(=O)Cc2ccc(F)cc2Cl)COC[C@H]1OC 643585490 PMADIADBBJLPPM-XFJVYGCCSA-N 345.798 1.814 0 40 EDAB Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C)c2)nn1 583242232 OXGZUWIFRXHVKW-IUODEOHRSA-N 339.399 1.926 0 40 EDAB CCN=c1nc(N2CCN(c3ccnc(C(C)C)n3)CC2)cc[nH]1 1889098636 BHDDTENVMCXMIQ-UHFFFAOYSA-N 327.436 1.570 0 40 EDAB C[C@H]1CC[C@H](C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)NCC3CC3)C2)CC1 1565554964 MEFKYSSQOYECDF-LMHBHQSJSA-N 334.460 1.955 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(C(=O)C1(F)CC1)C2)NCc1cccnc1 1565548518 DMAIQFKICBFVSG-PBHICJAKSA-N 347.390 1.065 0 40 EDAB O=C(CSc1nc(=O)n2ccccc2n1)Nc1ccc(F)cc1 4499736 YFJFGQPDTNNWLX-UHFFFAOYSA-N 330.344 1.959 0 40 EDAB O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCCC1 9664209 GLQQXTVBNWOWER-LBPRGKRZSA-N 328.459 1.914 0 40 EDAB CN(C)c1nccc(N2CCC[C@@]3(CN(C(=O)C4CC4)CCO3)C2)n1 2055830300 KSNDBICNBTVWRF-SFHVURJKSA-N 345.447 1.150 0 40 EDAB c1coc(-c2ccc(N3CCN(c4ncnc5[nH]cnc45)CC3)nn2)c1 1775977542 IWCJQYYLBFEKDH-UHFFFAOYSA-N 348.370 1.730 0 40 EDAB O=C(NCc1cn(-c2cccnc2)nn1)c1ccc2nccnc2c1 575414600 ZTFHMEPOBABMBZ-UHFFFAOYSA-N 331.339 1.536 0 40 EDAB O=C(c1n[nH]c2c1CCCC2)N1CCc2nc3ccccn3c(=O)c2C1 225778201 FEDZAESPRZDDSG-UHFFFAOYSA-N 349.394 1.495 0 40 EDAB CCOC(=O)C(=O)Nc1c2c(cn1-c1ccccc1)CS(=O)(=O)C2 35587926 UBNWWPRLLJLZRV-UHFFFAOYSA-N 348.380 1.407 0 40 EDAB CC[C@@](C)(CNS(=O)(=O)c1ccc(OC)cc1)N1CCOCC1 30425393 CDLHPDJBPOURIT-INIZCTEOSA-N 342.461 1.474 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100291384 BYTMZVVIAPQSOD-KUDNYVPYSA-N 326.352 1.441 0 40 EDAB O=C(c1ccco1)N1CCN(Cc2nnc3n2CCCCC3)CC1 40481310 XBVNBKWOVCWHTQ-UHFFFAOYSA-N 329.404 1.556 0 40 EDAB Cc1cc(C)n(CC(=O)NCc2ccnc(N3CCOCC3)c2)n1 40498944 SWZFIHCOXBZKCU-UHFFFAOYSA-N 329.404 1.048 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2cccnc2)CC1 40481024 YDNUJIKZYBFKNW-GOSISDBHSA-N 339.395 1.566 0 40 EDAB Cc1ccc2c(c1)[nH]c1c(=O)n(CCCN3CCOCC3)cnc12 20461963 LRHXUJPBTHCMTK-UHFFFAOYSA-N 326.400 1.909 0 40 EDAB Cc1ccc(CN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)o1 40554939 YFCMOORXYJKQTL-CYBMUJFWSA-N 328.434 1.102 0 40 EDAB CNC(=O)COC(=O)/C=C/c1ccc(OCc2ccccn2)cc1 51463068 BJNLLLNUIIKUEN-JXMROGBWSA-N 326.352 1.963 0 40 EDAB Cc1ccc(-n2cc(C(=O)NCCN3CCCCCC3=O)nn2)cc1 32310373 YMUKZQSUNZKSTI-UHFFFAOYSA-N 341.415 1.708 0 40 EDAB CN(C)[C@@H](CNc1c(NCc2ccco2)c(=O)c1=O)c1ccco1 101691777 FPKPXRGAJALQCA-LBPRGKRZSA-N 329.356 1.796 0 40 EDAB CCCNC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 32489459 JCKVUODNNQSUKO-UHFFFAOYSA-N 333.432 1.102 0 40 EDAB CCN(CC)C(=O)Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O 21023664 YVOYHNLRMMSYKE-UHFFFAOYSA-N 343.362 1.566 0 40 EDAB C[C@H]1NC(C(=O)NCCc2ccccn2)=NN(c2ccccc2)C1=O 32657716 WKCINUYRSAXUAB-CYBMUJFWSA-N 337.383 1.079 0 40 EDAB O=C(CN1CCN(C(=O)c2cccc3ccccc23)CC1)NC1CC1 32748111 NLQFYAMQGGIERN-UHFFFAOYSA-N 337.423 1.876 0 40 EDAB C[C@H](CNC(=O)NCCc1nnc2n1CCCCC2)Cn1cccn1 52520529 BFISBFYTEBIYQI-CQSZACIVSA-N 345.451 1.379 0 40 EDAB COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@@H]3CCOC3)CC2=O)c1 41367004 HFFJTAWHDXGMQU-QWHCGFSZSA-N 348.399 1.209 0 40 EDAB C[C@H]1CN(Cc2csc(NC(=O)c3nccnc3N)n2)C[C@H](C)O1 22325653 QORBNEIDZQICNM-UWVGGRQHSA-N 348.432 1.377 0 40 EDAB O=C(O)[C@H]1[C@H](C(=O)Nc2cnn(Cc3ccccc3)c2)[C@H]2CC[C@H]1O2 104154268 SLVLJBWSJIGQQU-KLHDSHLOSA-N 341.367 1.748 0 40 EDAB CC(=O)N[C@H](CC(=O)N(CC(N)=O)C1CCCC1)c1ccc(C)cc1 47236752 KZFHXZSOHLOMPD-QGZVFWFLSA-N 345.443 1.819 0 40 EDAB O=C(NCc1nncn1C1CC1)[C@H]1CCCN1Cc1ccccc1 78603827 OFORLFHRBDZEHF-MRXNPFEDSA-N 325.416 1.894 0 40 EDAB NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1n[nH]c(=O)c2ccccc12 79099418 JNIZDYGMEHGHCF-OLZOCXBDSA-N 328.372 1.087 0 40 EDAB Cc1ccc(-c2nnc(S)n2CC(=O)NCc2cnn(C)c2)cc1 54289259 YOTCMHHHFJDWPG-UHFFFAOYSA-N 342.428 1.592 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1F 3544107 HOTRDVGQVURQQU-UHFFFAOYSA-N 347.346 1.806 0 40 EDAB O=C(NCCC(=O)N1CCN(Cc2cccs2)CC1)c1ccco1 23735409 DFFJZRMJFDAFEF-UHFFFAOYSA-N 347.440 1.805 0 40 EDAB O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1cc2ccccc2cc1O 4905141 INUZZPZUZVKGCF-AZQPONJRSA-N 348.358 1.997 0 40 EDAB COC(=O)c1cc(/C=C/c2ccc(S(N)(=O)=O)cc2)ccc1O 6482639 ZJVMZHMOCNGMSP-NSCUHMNNSA-N 333.365 1.997 0 40 EDAB C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@H]1N1CCOCC1 76053697 RYLGZCPWUKRWNA-RHSMWYFYSA-N 330.428 1.343 0 40 EDAB Cc1cc(CN(C)C(=O)CCc2ccc(S(N)(=O)=O)cc2)no1 25136691 TZVREFPAMCDPDP-UHFFFAOYSA-N 337.401 1.222 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1 97616521 PSHJULUZZGUXEQ-UHFFFAOYSA-N 329.381 1.896 0 40 EDAB CC(C)N(CCCNC(=O)N[C@@H](C)c1cccnc1)S(C)(=O)=O 48068213 RIYWFMONWNPHLT-ZDUSSCGKSA-N 342.465 1.502 0 40 EDAB CCc1cccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 58083143 ZTLKFWYSNKQWPV-KBXCAEBGSA-N 332.400 1.709 0 40 EDAB C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CCC[C@H](c2ccn[nH]2)C1 101985323 FPWAUAKNIHZMSP-VABVJXKHSA-N 342.447 1.817 0 40 EDAB Cn1cncc1CN1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108526792 WYPBAFFDKNSARH-OAHLLOKOSA-N 342.447 1.836 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c1Cl 58023486 YZMVIAOZGANJQA-NSHDSACASA-N 332.857 1.322 0 40 EDAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ncnc3nc[nH]c23)cc1O 9953247 BYJDLTNOBCYJJE-VIFPVBQESA-N 341.327 1.551 0 40 EDAB COC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 58133274 DPUFAUUFYQNUGI-HOCLYGCPSA-N 344.411 1.984 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)C1 44890719 VSYZMHSXZAKIGF-CYBMUJFWSA-N 346.818 1.922 0 40 EDAB Cc1ccccc1CNC(=O)CCn1cnc2c(cnn2C)c1=O 44894031 LKKGMTXJDIVQRN-UHFFFAOYSA-N 325.372 1.145 0 40 EDAB O=C(CCCc1nc2ccccc2o1)NC[C@@H]1CCS(=O)(=O)C1 48231900 XOESAMAEJQHAQB-LBPRGKRZSA-N 336.413 1.701 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cccc(Nc2ncccn2)c1 44908511 QGWVBJCWOJYBAU-GFCCVEGCSA-N 346.412 1.385 0 40 EDAB CCN1C[C@H](CN(C)Cc2nnnn2C2CC2)Oc2ccccc21 48262324 DKMJPICMEZJDBH-AWEZNQCLSA-N 328.420 1.727 0 40 EDAB CN(CC1CC1)C(=O)CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 58378442 JBZVDEINRATLRH-INIZCTEOSA-N 348.422 1.890 0 40 EDAB Cc1nn2c(=O)cc(CN(C[C@@H](C)O)c3ccccc3)nc2s1 58379315 ZBXZQWHALJXFBN-LLVKDONJSA-N 330.413 1.847 0 40 EDAB CCc1nc(NC(=O)c2csc(S(N)(=O)=O)c2)sc1C 58327920 LWXAUSJJYFPBLC-UHFFFAOYSA-N 331.444 1.975 0 40 EDAB CNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)Cc2cccc(Cl)c2)C1 95440032 CFJQVNLSLKJDOD-RISCZKNCSA-N 344.864 1.669 0 40 EDAB Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)n1 27970754 QWFRSYCLACWQAR-MRXNPFEDSA-N 347.440 1.465 0 40 EDAB Cc1ccccc1OCCNCc1cnc(N2CCN(C)CC2)nc1 95416638 MUUDFDHNVOMUIX-UHFFFAOYSA-N 341.459 1.705 0 40 EDAB COc1cc(CC(=O)OCC(=O)NC(C)(C)C)cc(OC)c1OC 3318137 ASUWBFJHDURGBO-UHFFFAOYSA-N 339.388 1.713 0 40 EDAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)NCc1cccs1 3308987 VNXLCRZWROODCA-AWEZNQCLSA-N 333.365 1.748 0 40 EDAB O=C(NCc1cn2ccsc2n1)N1CCC(O)(C(F)(F)F)CC1 95460394 OAOKFJJLZBHKCD-UHFFFAOYSA-N 348.350 1.995 0 40 EDAB Cc1cc(NC(=O)CN(Cc2ccccc2)[C@@H](CO)C2CC2)n(C)n1 95437983 VUIBIRIHRLROBU-KRWDZBQOSA-N 342.443 1.940 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)Cn1nnn(-c2cccs2)c1=O 11656819 YZCLEIHMLJYEEK-UHFFFAOYSA-N 347.375 1.288 0 40 EDAB CCOc1ncccc1CNC(=O)[C@H]1Cc2ccccc2C(=O)O1 23101950 RKUIRKIUXXFOGY-OAHLLOKOSA-N 326.352 1.878 0 40 EDAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC(N)=O)c2C1 2653220 BACUKGVEGRKYPR-JTQLQIEISA-N 341.367 1.711 0 40 EDAB CC(=O)N[C@@H](CC(=O)N[C@H](C)CN1CCOCC1)c1cccs1 46884685 FXFOOJVNEJMGJO-OCCSQVGLSA-N 339.461 1.152 0 40 EDAB CC(C)OC[C@@H](O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 89887777 LAZBFSGANQESKY-MAUKXSAKSA-N 332.400 1.252 0 40 EDAB COc1ccc(NC(=O)COC(=O)c2ccc(O)cc2O)c(OC)c1 3529450 WZTRBENKZRGWRQ-UHFFFAOYSA-N 347.323 1.911 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCN(C[C@@H]2CCCCO2)CC1 38292189 JFXHPUIXGBLMHA-AWEZNQCLSA-N 342.436 1.701 0 40 EDAB Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccc(F)cc1 3907019 BOYRQPFRSOYQOX-UHFFFAOYSA-N 325.347 1.978 0 40 EDAB aggregator COc1ccc2c(c1)OC[C@H]([C@@]1(O)C(=O)N(C)c3ccccc31)C2=O 408569772 XUGFQZOCLYWGSZ-IFXJQAMLSA-N 339.347 1.751 0 40 EDAB CS(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)CCC2 65567380 RCVCCSBCIQPBTG-UHFFFAOYSA-N 336.457 1.855 0 40 EDAB Cc1cnc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cn1 14183983 KACASGSPHKXFNO-ZDUSSCGKSA-N 340.383 1.946 0 40 EDAB CCOC(=O)c1cnc(N2CCN(c3ccccc3)CC2)nc1N 19796855 UKLQTRDNSFYDML-UHFFFAOYSA-N 327.388 1.562 0 40 EDAB COc1ccccc1OCC[n+]1c(S(=O)(=O)O)[nH]c2ccccc21 6675141 GUTPHIAIXGWNPW-UHFFFAOYSA-O 349.388 1.790 0 40 EDAB CCN(Cc1cnn(C)c1)C(=O)CCN1C(=O)c2ccccc2C1=O 66455123 WPMDHXKNSIZLJO-UHFFFAOYSA-N 340.383 1.455 0 40 EDAB CCCOc1ccc(C(=O)NCCC(=O)NCCCC(=O)O)cc1 4862861 KWJGSQHYHYUSSB-UHFFFAOYSA-N 336.388 1.576 0 40 EDAB COc1cccc(OC)c1OC(=O)CN1C(=O)c2ccccc2C1=O 6846827 PWSKRANCYVQBDI-UHFFFAOYSA-N 341.319 1.905 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2cncn2-c2ccccc2)no1 9313876 ZGBMKTUOFKFYHK-UHFFFAOYSA-N 326.312 1.964 0 40 EDAB O=C(NCc1ccco1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6945729 DWTKTARDXPYREY-LBPRGKRZSA-N 342.351 1.720 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCC(=O)N1CCCC1 67142243 YKVBMILSRRYSNB-ZDUSSCGKSA-N 339.436 1.515 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2cccc(OC)c2)cc1 15327524 SOLBOPCEXNNLKK-UHFFFAOYSA-N 335.381 1.960 0 40 EDAB Cc1ccc(CNC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 9431648 PSINHXMEBSVMPD-UHFFFAOYSA-N 339.804 1.772 0 40 EDAB CC(C)(C)NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O 67317048 ZWLSTYQPZMNLKO-UHFFFAOYSA-N 349.460 1.758 0 40 EDAB Cc1cccn2c(=O)cc(COC(=O)c3ccc(O)cc3O)nc12 7294104 HSMSTODDCCLMLS-UHFFFAOYSA-N 326.308 1.771 0 40 EDAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 7248533 GHPFCVKKVOZLCI-GFCCVEGCSA-N 335.422 1.414 0 40 EDAB O=C(Nc1ncccn1)C1CCN(Cc2nc(C3CC3)no2)CC1 95952968 AQSXPXCWDHNTGN-UHFFFAOYSA-N 328.376 1.588 0 40 EDAB C[C@H]1CN(C(=O)NCc2ncccc2F)CCN1CC(F)(F)F 95977752 FHYMXQXMSWMZDM-JTQLQIEISA-N 334.317 1.999 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)N3CCCCC3)CC2)on1 71794087 RSGLWEMSHKUCAQ-CQSZACIVSA-N 349.435 1.534 0 40 EDAB Nc1cc(F)ccc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 7374337 JYCSYHPQQQURTI-UHFFFAOYSA-N 346.314 1.610 0 40 EDAB CCc1nc([C@@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)no1 67886719 RRIHALVSGAHPIH-CYBMUJFWSA-N 331.420 1.931 0 40 EDAB C[C@H](C(=O)N(C)C)N(C)Cc1cccn1S(=O)(=O)c1ccccc1 67821924 DAXLKTRGPMMECF-CQSZACIVSA-N 349.456 1.634 0 40 EDAB O=C(COc1cccc(-n2cnnn2)c1)NCCc1cccs1 7835375 ISLMKHOCKVMWQE-UHFFFAOYSA-N 329.385 1.462 0 40 EDAB Cc1csc(=O)n1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 8230107 GBWDOCCRECKLRS-UHFFFAOYSA-N 331.397 1.749 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 69434206 YSQOJULDAIGUPG-IRXDYDNUSA-N 337.489 1.922 0 40 EDAB O=C(NCC(=O)N1CCSC1)c1cccc(Br)c1 69439960 XQVJKLXNIZUFPS-UHFFFAOYSA-N 329.219 1.712 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCn4c(C)nnc4C3)c12 69486256 AIIMTCYZUQMEMN-UHFFFAOYSA-N 338.371 1.965 0 40 EDAB Cc1cnn(C[C@H](C)N[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 69564488 CWXAZXOGHUPVOC-UONOGXRCSA-N 341.415 1.543 0 40 EDAB Cn1cc(CN2CCCN(C(=O)CCOc3ccccc3)CC2)cn1 69511025 VITAYAUFLKULOB-UHFFFAOYSA-N 342.443 1.924 0 40 EDAB Cc1ccc(N2CCCN(C(=O)CCc3cscn3)CC2)nn1 71860383 RECRFRAKKYNWQO-UHFFFAOYSA-N 331.445 1.913 0 40 EDAB C[C@H](OC(=O)C1=NN(C)C(=O)CC1)C(=O)Nc1ccccc1Cl 17734482 NVNBXZINDWLHHA-VIFPVBQESA-N 337.763 1.818 0 40 EDAB CC(C)n1c([C@H]2CCCN(CC(=O)NC(N)=O)C2)nc2ccccc21 69738142 LTDGRUKWLGZISM-ZDUSSCGKSA-N 343.431 1.992 0 40 EDAB COCCN1CCN(CCC(=O)N[C@@H](C)c2ccccc2)C[C@@H]1C 69740123 HKZBXQZUUPBZMZ-IRXDYDNUSA-N 333.476 1.906 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)n1 69741460 UUZRXUUWOGOBBX-UHFFFAOYSA-N 343.387 1.621 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CCC(=O)N2)c(C)c1 69977745 FNIPVXYPOVVOAJ-ZIAGYGMSSA-N 347.440 1.422 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC3CC3)C2)C1 69919620 VCGPEDWFBVQLJA-HOTGVXAUSA-N 344.459 1.868 0 40 EDAB C[C@H](O)CN1CCC(CN(C)[C@@H](C)C(=O)NCC(F)(F)F)CC1 69922684 GGRQORKFGRDLBE-RYUDHWBXSA-N 339.402 1.078 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC(C)C 71920103 PYFWVOKTTOEJHF-UHFFFAOYSA-N 329.422 1.866 0 40 EDAB CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)c(O)c1 71914652 SKERESRVQJENJO-UHFFFAOYSA-N 340.357 1.975 0 40 EDAB CC(C)N1C(=O)CN(CN2CCN(Cc3cccs3)CC2)C1=O 71924451 AERRAPZHKHYCBG-UHFFFAOYSA-N 336.461 1.496 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN(C)CC2CCOCC2)cc1 95962581 WFQNULADOHLCCP-UHFFFAOYSA-N 326.462 1.632 0 40 EDAB CCS(=O)(=O)C[C@@H](C)NC(=O)NCCc1cc2ccccc2[nH]1 89272333 PAMNPJUDXRGMSQ-GFCCVEGCSA-N 337.445 1.833 0 40 EDAB Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@]4(CCOC4)C3)C2=O)cc1 84150574 BPXIVNUUXZPQPE-LPHOPBHVSA-N 328.412 1.987 0 40 EDAB COc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](C(=O)O)C(C)C 87492498 QRZFCSQXTZXWJB-SNVBAGLBSA-N 335.809 1.984 0 40 EDAB Cc1cc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)c(C)o1 97165968 BDVAJBAQYQKCCQ-UHFFFAOYSA-N 343.493 1.543 0 40 EDAB Cc1nn(CCO)c(C)c1CNC[C@H](O)c1ccc(F)cc1F 97159914 LKNWBTNHQMAGQC-INIZCTEOSA-N 325.359 1.594 0 40 EDAB Cc1n[nH]c([C@H]2CN(CC(=O)Nc3cc(C(C)C)no3)CCO2)n1 72300110 HRCSJHZEWMZYRS-GFCCVEGCSA-N 334.380 1.237 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)NC[C@H](O)COCC(C)C)cc12 89568226 MLPZCSYHTYFPQN-ZDUSSCGKSA-N 335.408 1.432 0 40 EDAB Cc1cccc(-c2ccc(C(=O)NCCNc3ncccn3)c(=O)[nH]2)c1 75119743 LYNJYAJQSAKWAB-UHFFFAOYSA-N 349.394 1.982 0 40 EDAB Cc1ccc(C(=O)N2CCN(CCc3cccs3)CC2)c(=O)[nH]1 75122730 REDXHJGTKJPWHO-UHFFFAOYSA-N 331.441 1.745 0 40 EDAB CC[C@@](C)(NCC(=O)Nc1ccc(Br)c(C)c1)C(N)=O 75105680 PVDMYKFCWOAPBO-CQSZACIVSA-N 342.237 1.940 0 40 EDAB C[C@H]1CN(C(=O)c2cc(F)cc3[nH]cnc23)C[C@H]1N1CCOCC1 76056841 JQRPTRKXGMWDBE-XHDPSFHLSA-N 332.379 1.495 0 40 EDAB COC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 408591716 JDUKFIXEEQSNPF-ZDUSSCGKSA-N 342.461 1.457 0 40 EDAB Oc1nnc(-c2ccccc2)c2c1Nc1nnnn1[C@H]2c1ccccn1 112000195 UDPNFUCXZVRLSG-HNNXBMFYSA-N 344.338 1.925 0 40 EDAB Cc1ccccc1CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 71768173 RESDERGHIKUTTO-UHFFFAOYSA-N 343.471 1.870 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1cccnc1 306123905 BADMIHAQJBNFNS-IPMKNSEASA-N 337.423 1.958 0 40 EDAB C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O 1532334 LZFZMUMEGBBDTC-AEGPPILISA-N 348.399 1.126 0 40 EDAB biogenic,in-vitro COc1cc(NC2CCN(C(=O)C3(C(=O)O)CC3)CC2)cc(OC)c1 515488315 QQVUGTVWUBGFNX-UHFFFAOYSA-N 348.399 1.972 0 40 EDAB Cc1ncc2n1CC[C@@H](C(=O)NCc1ccc3c(c1)C(=O)NCC3)C2 517634994 VRGYNDNQCNQIDJ-OAHLLOKOSA-N 338.411 1.356 0 40 EDAB CN1CC[C@@]2(CCN(C(=O)NCc3ccnc(-n4cccn4)c3)C2)C1 558983251 GKXCWQKQCZIHES-GOSISDBHSA-N 340.431 1.505 0 40 EDAB CO[C@]1(C)C[C@H](NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)C1(C)C 152369938 QKQLCMWWTCZVML-WOSRLPQWSA-N 346.493 1.366 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 78879426 FGYTZDXCGQMORJ-GFCCVEGCSA-N 348.465 1.183 0 40 EDAB Cc1cccc(Nc2nccnc2C2CCN(CC(N)=O)CC2)n1 72361878 LSPKOFMNKGRMDW-UHFFFAOYSA-N 326.404 1.588 0 40 EDAB CN1C(=O)C[C@@H](CNC(=O)COc2ccccc2)[C@@H]1c1nccn1C 560356240 BWACLQWFAFYHLR-SUMWQHHRSA-N 342.399 1.135 0 40 EDAB CC1(C)[C@H](NC(=O)Cn2cn[nH]c2=O)C[C@H]1OCc1ccccc1 189170215 HPPDKOSCMGNPBN-ZIAGYGMSSA-N 330.388 1.072 0 40 EDAB COc1ccccc1C1=NO[C@](C)(C(=O)N2CCN(C(C)=O)CC2)C1 222285253 OXFBWUYBDDIOCD-SFHVURJKSA-N 345.399 1.269 0 40 EDAB O=S(=O)(NCCc1nnc2ccccn12)c1cccc(F)c1F 81063925 XLKQYMUZWVZEIM-UHFFFAOYSA-N 338.339 1.529 0 40 EDAB COc1c(N)ncnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 569988277 MYEXVBZALXDSAC-UHFFFAOYSA-N 327.388 1.338 0 40 EDAB CCOC(=O)N1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1 40267947 MKQTWFZFUHEZIO-UHFFFAOYSA-N 346.387 1.926 0 40 EDAB Cc1cc(C)n2nc(C(=O)Nc3cc(C(N)=O)cc(F)c3C)nc2n1 40117593 UESCHOAFQYTWAE-UHFFFAOYSA-N 342.334 1.540 0 40 EDAB Cc1csc([C@H]2CN(C(=O)NCCc3nc(C)no3)CCO2)n1 194105079 OLWHHQHMRCZFMI-LLVKDONJSA-N 337.405 1.469 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)NCc1nc(-c2ccc[nH]c2=O)no1 225804510 MCJBTFTYGDTAEN-UHFFFAOYSA-N 342.359 1.014 0 40 EDAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1ccc3ncsc3c1)CC2 225787120 FKECECBWNGBLBW-LBPRGKRZSA-N 340.408 1.677 0 40 EDAB Cn1cc(CN2CCC3(CC2)C[C@H](c2ccncc2)C(=O)N3)cn1 96199537 NECQLVSNZLJEPB-MRXNPFEDSA-N 325.416 1.453 0 40 EDAB C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCC(=O)NC1 96426352 XGMVQXCBYJRMAW-GXSJLCMTSA-N 341.205 1.611 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CCO1 96426328 MXRRIKSIMXVXLR-XQQFMLRXSA-N 343.210 1.810 0 40 EDAB O=C(O)CCC(=O)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 96296335 QCRNSSPVWPSLER-ZDUSSCGKSA-N 347.346 1.569 0 40 EDAB biogenic,in-vitro Cc1cccc(CN2CCC3(CC2)CN(CCN(C)C)C(=O)CO3)n1 96201355 XJLBXJAJRMAYJI-UHFFFAOYSA-N 346.475 1.145 0 40 EDAB Cc1ccc(N2C[C@H]3[C@H](CC(=O)N4CCCC4)COC[C@H]3C2)nn1 96040840 VWZVJPWJTJTYFY-OAGGEKHMSA-N 330.432 1.496 0 40 EDAB Cc1ccc(N2CCOC[C@@]3(CCCN(C(=O)N(C)C)C3)C2)nn1 96229187 CZXGNCWSLVGKOS-KRWDZBQOSA-N 333.436 1.385 0 40 EDAB O=C([C@@H]1CCCCN1Cc1ccc(F)cc1)N1CCS(=O)CC1 96446537 NAKWYEPUKMLSBY-INIZCTEOSA-N 338.448 1.771 0 40 EDAB COC[C@H]1CCC[C@]12CN(S(=O)(=O)c1cccs1)CCO2 96159861 OGWZXKCZVLJEOR-OCCSQVGLSA-N 331.459 1.954 0 40 EDAB COC[C@H]1CN(C(=O)c2cc(C)on2)Cc2ncn(CC3CC3)c21 96045085 VISUCBAJXZARFN-CYBMUJFWSA-N 330.388 1.976 0 40 EDAB CC(=O)N1C[C@H](NC(=O)CCc2cnn(C)c2)CC[C@H]1C(F)(F)F 583618399 TWSVSYVKKXGISI-OLZOCXBDSA-N 346.353 1.411 0 40 EDAB Cn1cc(CN2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 96224441 ROBXFCUIRVQIGA-LJQANCHMSA-N 339.443 1.830 0 40 EDAB C[C@H]1CCC[C@H](NC(=O)CN2CCN(CCc3ccccn3)CC2)C1 69876678 HPWRMENOHCSVIE-HKUYNNGSSA-N 344.503 1.937 0 40 EDAB C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@H]1CCC(=O)NC1 96426355 XGMVQXCBYJRMAW-KOLCDFICSA-N 341.205 1.611 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccoc3)C2)O1 96207368 VLZRJZJPWIXQPK-LSDHHAIUSA-N 328.434 1.342 0 40 EDAB CC(=O)N1[C@H](CN2CCCC2)C[C@@H]2CN(C(=O)c3ccoc3)CC[C@@H]21 96064382 JJFRRIJSQQABPK-SQNIBIBYSA-N 345.443 1.827 0 40 EDAB Cn1cc([C@@H]2CC(=O)NC23CCN(Cc2ccncc2)CC3)cn1 96061494 QZDWAEGYLKIRDW-INIZCTEOSA-N 325.416 1.453 0 40 EDAB Cc1cccc(NC[C@H]2CCN(CC(=O)Nc3nncs3)C2)n1 97200942 CZDRDKYWNVWHSW-GFCCVEGCSA-N 332.433 1.614 0 40 EDAB CC1(C)[C@H](NC(=O)NCc2cccc(-n3cncn3)c2)[C@H]2CCO[C@H]21 230096252 RHHDARTVAOWVPW-BZUAXINKSA-N 341.415 1.880 0 40 EDAB CCNC(=O)CN1CCN(c2nc(CC)nc(Cl)c2C)CC1 96449386 TXDOWHAOGUUFSY-UHFFFAOYSA-N 325.844 1.259 0 40 EDAB Cc1noc(C)c1CN1C[C@@H]2OCCN(Cc3cnn(C)c3)[C@@H]2C1 96248754 LFVRITRREDGLPM-SJORKVTESA-N 331.420 1.110 0 40 EDAB CON(C)CCNC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 584908709 AKWDHGYZSGRMPH-INIZCTEOSA-N 347.459 1.765 0 40 EDAB COCCc1noc(CN(C)[C@H]2CCCN(c3ccccc3)C2=O)n1 96406637 IBSAGMOCRWWMOV-HNNXBMFYSA-N 344.415 1.886 0 40 EDAB Cc1ccc(Br)c(NC(=O)C(=O)NCc2cc[nH]n2)c1 95445502 XUNFXDYPHOALJS-UHFFFAOYSA-N 337.177 1.736 0 40 EDAB O=S1(=O)CC[C@H](N(Cc2ccc(Cl)nc2)C[C@H]2CCCO2)C1 245287237 BQEUOYSKJFZBDO-UONOGXRCSA-N 344.864 1.903 0 40 EDAB CNS(=O)(=O)Cc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 585137371 VMPIIJFDPSKNJS-ZETCQYMHSA-N 327.431 1.571 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Nc2ccn(C)n2)cc1 585100463 XNJLENLZQQYFLG-HNNXBMFYSA-N 341.415 1.857 0 40 EDAB CC[C@H](Sc1ccccc1)C(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1 585124352 JTONHKVRHLVNJD-KFWWJZLASA-N 332.429 1.593 0 40 EDAB Cc1noc(C)c1C(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257226756 FLZKGRYGOYZASN-AWEZNQCLSA-N 330.388 1.742 0 40 EDAB Cc1nc(N2CCN(C)CC2)nc2c1OC(c1ccccc1)=NN2C 257173322 JTPNPAPPTNIUHK-UHFFFAOYSA-N 338.415 1.727 0 40 EDAB CNc1cc([C@@H]2CCCN2CC2(O)CCN(C(C)=O)CC2)nc(C)n1 257245292 IOWGDKKGRGACDN-INIZCTEOSA-N 347.463 1.337 0 40 EDAB Cn1c(=O)oc2ccc(C(=O)N3CCC[C@H](Cc4ccn[nH]4)C3)cc21 257272732 NDPLAEWLDMLUKG-GFCCVEGCSA-N 340.383 1.950 0 40 EDAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)c2ccc3c(c2)ncn3C)[C@H]1O 257244473 ILNAMRVMOXOIHY-KBRIMQKVSA-N 339.399 1.573 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)on1 257345052 ZZTHFODVLNDLLC-OAHLLOKOSA-N 344.415 1.918 0 40 EDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)Cn3cccn3)C[C@@H]21 257311455 UJNOEQXNPZZSIX-QLFBSQMISA-N 326.404 1.047 0 40 EDAB Cc1ncc(-c2cccc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)n1C 257311267 UITAAVHHDDDCMV-CYBMUJFWSA-N 334.445 1.930 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C3CCOCC3)CCN2C(C)=O)c1 257257270 KOVHFIVIIDCCNI-GOSISDBHSA-N 345.443 1.430 0 40 EDAB Cc1cccc(C)c1OCCNC(=O)CCCN1C(=N)N(C)CC1=O 1614995856 LTPAWMCYQMCROT-UHFFFAOYSA-N 346.431 1.287 0 40 EDAB CCCCN1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1 1615586985 HMCCPIYPELZAIS-UHFFFAOYSA-N 336.461 1.426 0 40 EDAB C[C@H]1OC2(CCN(C(=O)c3cc(F)cc4cccnc34)CC2)NC1=O 1615592359 SUWWFKWBQJYOER-LLVKDONJSA-N 343.358 1.841 0 40 EDAB CN(Cc1nnc2n1CCNC2=O)C(=O)[C@H]1C[C@H]1C1CCCCC1 1616038802 QWNPBYPNFRPYJO-STQMWFEESA-N 331.420 1.196 0 40 EDAB CO[C@]1(CNC(=O)C(=O)NCc2ccc(Cl)cc2)CCSC1 96097739 LFDIVXHRRPEMQV-HNNXBMFYSA-N 342.848 1.595 0 40 EDAB Cc1snnc1C(=O)N1Cc2nccn2C[C@@H](CN(C)C(C)C)C1 585110696 VNFOFBFSPFNQPE-CYBMUJFWSA-N 348.476 1.655 0 40 EDAB Cn1cc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3CC2CC2)c(C(F)F)n1 585107645 FUQKHAWSMOFJOM-NWDGAFQWSA-N 338.358 1.583 0 40 EDAB CO[C@@H]1CCN(C(=O)c2nc3c(o2)CCN(Cc2cncs2)C3)C1 585112524 QXGORJJVCIRXRT-LLVKDONJSA-N 348.428 1.550 0 40 EDAB O=C(CSc1ccncc1)NCCn1nc2c(cc1=O)CCC2 585150179 FDOYRMUHJYOOAC-UHFFFAOYSA-N 330.413 1.036 0 40 EDAB O=C(c1ccc(N2CCOCC2)cc1)N1CC(Oc2ccncc2)C1 589987336 FCDLPLMPRJQNFO-UHFFFAOYSA-N 339.395 1.822 0 40 EDAB CN(C)CCn1cc(NC(=O)N2CCC[C@H](c3ccn(C)n3)C2)cn1 1548453320 FVOUQTWCCPVSPK-AWEZNQCLSA-N 345.451 1.590 0 40 EDAB O=C(N1CCn2cnc(C(F)(F)F)c2C1)[C@]12CCC[C@H]1NCC2 1550205884 ZVAKJTCGSPLHOL-RISCZKNCSA-N 328.338 1.776 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 69628087 XADQPKKUGHMKCP-CVEARBPZSA-N 337.439 1.377 0 40 EDAB Cc1ccccc1[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)C(C)C 71899827 KWVDVFCAKPZHKB-KRWDZBQOSA-N 338.473 1.539 0 40 EDAB CO[C@@H]1CCCC[C@H]1OC(=O)Cc1csc(N2CCNC2=O)n1 44734197 WYJMITZGRNOEFH-VXGBXAGGSA-N 339.417 1.716 0 40 EDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccn(C)c(=O)c2)cc1 75572755 FLDOOTCKPXVBBT-AWEZNQCLSA-N 330.340 1.340 0 40 EDAB O=C(CN1CCOC[C@H]1CC(=O)c1ccco1)NCc1ccccn1 84610064 QYCLMAWSUNEABX-OAHLLOKOSA-N 343.383 1.265 0 40 EDAB CC[C@H](NCC(=O)N1CCNC1=O)c1nc(C(F)(F)F)cs1 96013905 KQMHXKZGNJGZGW-ZETCQYMHSA-N 336.339 1.754 0 40 EDAB CC1(C)C[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)CCO1 97096496 WJYVVMIRYHURLG-HNNXBMFYSA-N 332.448 1.866 0 40 EDAB O=C(Cc1ccccc1Cl)N1CCC(N2C(=O)CNC2=O)CC1 585332041 CPNVSBDMHIEJND-UHFFFAOYSA-N 335.791 1.425 0 40 EDAB CS(=O)(=O)NCCCN[C@H]1CCc2cc(Br)ccc21 95419596 YICNXBUKBVJTHE-ZDUSSCGKSA-N 347.278 1.965 0 40 EDAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCC(=O)OC 1012962 BIWLMXQVMBERMA-KPKJPENVSA-N 337.353 1.961 0 40 EDAB CC[C@@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 12234201 QLXMJJMGPITIQZ-SNVBAGLBSA-N 331.351 1.457 0 40 EDAB NC(=O)Cc1ccc(C(=O)Cn2cnc3ccsc3c2=O)s1 14196781 CXKRKEUWXIIZRZ-UHFFFAOYSA-N 333.394 1.430 0 40 EDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 311215 KEQQGUMEQPYRKV-UHFFFAOYSA-N 348.380 1.529 0 40 EDAB NC(=O)c1sc2nccnc2c1[C@H]1CCN(c2cnccn2)C1 1848356223 XFUYSGZIXUAGQX-VIFPVBQESA-N 326.385 1.574 0 40 EDAB CC(C)S(=O)(=O)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 1848352038 BJEZDTJAFVHRES-QGZVFWFLSA-N 338.473 1.220 0 40 EDAB CSc1nc(C)cc(N2CCC(NS(=O)(=O)C3CC3)CC2)n1 1889104412 PVKFHMLOOKOQLM-UHFFFAOYSA-N 342.490 1.558 0 40 EDAB COc1nc(OC)nc(N2CCC(COc3ncccc3C)CC2)n1 1889128709 IMOXVFATBAQKML-UHFFFAOYSA-N 345.403 1.888 0 40 EDAB COc1ccc2nnc(CNC(=O)c3cccc(-n4cccn4)c3)n2n1 240002169 PNRBQJDPVULTDK-UHFFFAOYSA-N 349.354 1.249 0 40 EDAB Cc1nn(C)c(C)c1CN1CC[C@@]2(COCC(=O)N(C(C)C)C2)C1 2037984205 UFBGEGXUFKNLJR-GOSISDBHSA-N 334.464 1.496 0 40 EDAB Cc1ncc(C(=O)N2CC[C@H]3C[C@]32C(=O)NCc2cccnc2)cn1 2056223812 COLRCEQXAIHOAN-MAUKXSAKSA-N 337.383 1.101 0 40 EDAB CCOC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1C 426942 DKYJJUXLJVGTHS-UHFFFAOYSA-N 348.428 1.709 0 40 EDAB O=C(Cc1ccccc1)N[C@@]1(C(F)(F)F)N=C2SCCN2C1=O 2503755 VRASBOKSKFPAFO-CYBMUJFWSA-N 343.330 1.549 0 40 EDAB CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1ccccc1 4314896 LQUDJYAJJSGFMT-ZDUSSCGKSA-N 326.352 1.941 0 40 EDAB COc1ccc(N2C[C@@H](NC(=O)NCc3ccco3)CC2=O)cc1 4373500 HXMJASADIVTWNL-LBPRGKRZSA-N 329.356 1.893 0 40 EDAB CC(C)NC(=O)[C@@H]1CCc2c(C(=O)NCc3cccs3)ncn2C1 2055717934 JSDSKTZGAMDCAZ-GFCCVEGCSA-N 346.456 1.962 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2ccc(Cl)cc2)C1 2055772532 RDVPSRPRMJSASD-QGZVFWFLSA-N 346.818 1.914 0 40 EDAB COC(=O)N1CCC(CNS(=O)(=O)CCc2ccccc2)CC1 43956739 ZPJIAXAZIFZFFX-UHFFFAOYSA-N 340.445 1.627 0 40 EDAB O=C(NCC[C@@H](CCO)c1ccccc1)C(=O)NCc1ccccc1 206628531 WDMYKZBFIWPPRZ-SFHVURJKSA-N 340.423 1.975 0 40 EDAB NC(=O)c1cc(C2CCN(C(=O)COc3ccccc3F)CC2)n[nH]1 225559313 GGBCJDQCCFPYHM-UHFFFAOYSA-N 346.362 1.433 0 40 EDAB CC(C)COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(N)=O)cc1 30333058 BRJYFHIXJXXMQT-HNNXBMFYSA-N 340.445 1.750 0 40 EDAB C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(C(F)(F)F)cc1 30477592 LRTKDRXFBPCULR-VIFPVBQESA-N 341.289 1.433 0 40 EDAB O=C1C[C@H](N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1 100637672 JBYAZBOJMWNBCV-LBPRGKRZSA-N 328.199 1.531 0 40 EDAB Cc1nnc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)o1 40493383 HDELWUVQBQUQMX-INIZCTEOSA-N 326.400 1.927 0 40 EDAB COc1ccccc1OCCNS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 40487993 HTVHHJFJOIVPII-BETUJISGSA-N 344.433 1.018 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 31569612 PZSACZTZTLNEKV-IRXDYDNUSA-N 341.363 1.627 0 40 EDAB Cc1nnc(NC(=O)NC[C@H](CN(C)C)[C@H](O)c2ccccc2)s1 40526488 DXLJZGPZNRTRGZ-ZIAGYGMSSA-N 349.460 1.879 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)c2ccc(OCCOC)c(C)c2)CCO1 40512719 UPGHJWJIWYMGNJ-CQSZACIVSA-N 343.445 1.820 0 40 EDAB Cc1c(C(=O)NCCN2CCOCC2)[nH]c2c1C(=O)CC(C)(C)C2 22690070 MUUROFGCARWIBI-UHFFFAOYSA-N 333.432 1.540 0 40 EDAB CN(C[C@@H](O)C1CC1)C(=O)[C@H]1CCCN1c1ncnc2sccc12 87557086 RCKHRUSKBZWOGL-ZIAGYGMSSA-N 346.456 1.889 0 40 EDAB Nc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1 574665 WLZDBZPKSPXGDY-UHFFFAOYSA-N 325.415 1.413 0 40 EDAB Cc1ccc(CCCC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)s1 79893071 RJUCHNYBWPRKGK-ZDUSSCGKSA-N 344.502 1.906 0 40 EDAB CCCN1CCN(C(=O)[C@H](NC(=O)c2ccccc2)C(C)C)CC1 23624909 VQPABHAJDHSSNX-QGZVFWFLSA-N 331.460 1.995 0 40 EDAB C[C@@H](Nc1ccc(Cl)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 23865139 WDYMHGKPTRPWFA-MRVPVSSYSA-N 336.779 1.003 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 24724159 CTTPQWWCDQGOQZ-HOTGVXAUSA-N 346.427 1.739 0 40 EDAB Cc1cc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)no1 7939735 KULABCVFPWGQCF-UHFFFAOYSA-N 335.316 1.154 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 107721544 YXKQDNPFRJJYRP-HRCADAONSA-N 338.429 1.322 0 40 EDAB C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)[C@H]1COCCO1 106910785 FEXQMEYPSBKBQR-JHJVBQTASA-N 328.409 1.258 0 40 EDAB Cc1ccc2c(c1)CC[C@@H]2NC(=O)CN(C)c1ncnc2[nH]cnc12 56316601 LQFWGBSTIJSVRE-AWEZNQCLSA-N 336.399 1.901 0 40 EDAB Cc1nc(CNC(=O)NC[C@H]2CN(CC(C)C)CCO2)cs1 43819782 QVWGQFACVPBILL-AWEZNQCLSA-N 326.466 1.608 0 40 EDAB COc1ccnc(N(C)C[C@@H](O)COc2ccc3c(c2)OCO3)n1 57151944 VYNYVTDQCPIMMB-LLVKDONJSA-N 333.344 1.090 0 40 EDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2ccccc2)n1 57499631 KGLJHMHPSBQYCP-UHFFFAOYSA-N 329.404 1.644 0 40 EDAB COCCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 48190521 JYSAXWFWUZOXJQ-QMMMGPOBSA-N 349.250 1.782 0 40 EDAB CC(=O)N[C@@H](C(=O)NCc1ccccc1Cn1cccn1)C(C)C 10234824 PAKDDKNCGPIJDB-QGZVFWFLSA-N 328.416 1.708 0 40 EDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 58201419 FKWJKFHNOWZZHG-HNNXBMFYSA-N 348.428 1.162 0 40 EDAB O=C1C[C@]2(CCSC2)C(=O)N1C[C@H](O)COc1ccc(F)cc1 58201591 LGVQEIANXDGBIA-LRDDRELGSA-N 339.388 1.448 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cc2ccccc2o1 44952574 NOWXJTNUSGSILN-AWEZNQCLSA-N 336.413 1.863 0 40 EDAB CC1(C)[C@@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCCCN1CCOCC1 100467121 SMKVZXNBOVLKBZ-GPMSIDNRSA-N 337.508 1.629 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N1CCC[C@H](c2nc3ccccc3o2)C1 36393305 LUHGAAMXAWCAGW-RYUDHWBXSA-N 330.388 1.851 0 40 EDAB CC(C)N1[C@H](Cn2cccn2)C[C@@H]2CN(S(C)(=O)=O)CC[C@@H]21 107203621 MWKGXHKUJRUGPS-ILXRZTDVSA-N 326.466 1.016 0 40 EDAB CS(=O)(=O)N1CC[C@@H](F)[C@@]2(CCN(C(=O)c3ccco3)C2)C1 107244564 SGAHZFMGYWNKOD-TZMCWYRMSA-N 330.381 1.115 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NCc1ccc(N2CCOCC2)nc1 48357790 GKUCWYPAJYGSLH-CQSZACIVSA-N 344.419 1.003 0 40 EDAB CC(C)c1noc(-c2ccnc(NC3CCN(CC(N)=O)CC3)c2)n1 84631163 KVLQRSGRBAOGHO-UHFFFAOYSA-N 344.419 1.617 0 40 EDAB Cc1noc(C)c1CN1CC[C@]2(C[C@@H](Oc3ncccn3)CO2)C1 107785683 JIHQEUNGMZTORV-PBHICJAKSA-N 330.388 1.894 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCO[C@H](C)C1 11454862 FBCUYYMUNXTPOR-GFCCVEGCSA-N 326.418 1.106 0 40 EDAB C[C@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)C[C@H]1CCCO1 45762783 WPISIBLCUOMCPO-UKRRQHHQSA-N 337.441 1.948 0 40 EDAB C[C@@H](NC(=O)NCc1cccc(OCCN(C)C)c1)c1nncn1C 45813368 VESXUMUCBXKYBJ-CYBMUJFWSA-N 346.435 1.316 0 40 EDAB CC(C)(C)NC(=O)CN1CCCN(Cc2nc(C3CC3)no2)CC1 29431729 VIJDGILTAXVGTA-UHFFFAOYSA-N 335.452 1.369 0 40 EDAB CC(C)Cn1c(N)c(C(=O)CSc2ccccc2)c(=O)n(C)c1=O 2652936 LJFMBSRWXNSEBO-UHFFFAOYSA-N 347.440 1.760 0 40 EDAB COCCCn1c(=O)[nH]c(=O)c2c(-c3cccc(OC)c3)ccnc21 10157273 UOFSYSJKTFWAPO-UHFFFAOYSA-N 341.367 1.797 0 40 EDAB CCN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)C1CC1 29913723 ZBMNXIDHJIWHRO-NSHDSACASA-N 337.445 1.096 0 40 EDAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1F 25322896 NVFWOZQWTVEQNZ-MFKMUULPSA-N 344.408 1.436 0 40 EDAB COc1cccc(CN(C)CCCn2cnc3c(N)ncnc32)c1 63517271 DXAGQBFSGNRRNA-UHFFFAOYSA-N 326.404 1.939 0 40 EDAB Cc1c(CCC(=O)N2CCC[C@H]2C(=O)O)c(=O)oc2cc(O)ccc12 4062060 HEZNZLCZYGXVBX-AWEZNQCLSA-N 345.351 1.815 0 40 EDAB biogenic CN(C(=O)COc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 4040359 REIPHTGMKYBIFL-HNNXBMFYSA-N 333.409 1.864 0 40 EDAB COCCCN(C(=O)c1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 65540729 LLPMWLBDXZLMIU-INIZCTEOSA-N 339.457 1.969 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C 65575691 MBPFINSOLIQWJI-NSHDSACASA-N 343.493 1.307 0 40 EDAB COc1ccccc1CNC(=O)c1nnn(-c2ccc(F)cc2)c1N 9420641 RVLADODDYBAKEJ-UHFFFAOYSA-N 341.346 1.927 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NCc2ccco2)c1C 9457919 XXIVNOVPOUCBMR-LLVKDONJSA-N 348.355 1.873 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cnc(-c2cnn(C)c2)s1 66376849 NCQQRFMCSGMASL-VHSXEESVSA-N 333.417 1.270 0 40 EDAB Cn1cc(CCNC(=O)NCc2ccn(-c3ccc(F)cc3)n2)cn1 95448658 BFBRIIIANBWVHW-UHFFFAOYSA-N 342.378 1.787 0 40 EDAB COCc1cc(O)n2nc(N3CCN(c4ccccc4)CC3)nc2n1 5810540 SGNUXQMVLWWNTM-UHFFFAOYSA-N 340.387 1.303 0 40 EDAB COCCN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(C)oc1C 96493929 YBRIVRGQTFOJJQ-CQSZACIVSA-N 330.450 1.628 0 40 EDAB CC1CCN(C(=O)CN2CCC[C@H]2C(=O)N2CCSCC2)CC1 67117530 VHHLNJCSDQLYFL-HNNXBMFYSA-N 339.505 1.285 0 40 EDAB COc1cccc(C(=O)NCCCNC(=O)c2ccc(C)nc2)c1 4985633 VSYFPEAIHSVFIS-UHFFFAOYSA-N 327.384 1.949 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)c3ccsc3)CC2)cn1 67727707 RERPQUKARVTODV-UHFFFAOYSA-N 332.429 1.764 0 40 EDAB Cc1ccc([C@@H]2C[C@@H]2C(=O)NCC2(C(N)=O)CCOCC2)cc1C 71836372 IPYOKXZFBCPYCD-HOTGVXAUSA-N 330.428 1.805 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(-c3cccs3)[nH]c2=O)CC1 71871423 YZLWOLRIRNNJKL-GFCCVEGCSA-N 347.440 1.242 0 40 EDAB C[C@@]1(NS(=O)(=O)c2ccc3c(c2)CCCC3)CCS(=O)(=O)C1 7304341 OWMLGQNNRMFCMU-OAHLLOKOSA-N 343.470 1.421 0 40 EDAB Cc1cc(N(C)[C@H]2CCCN(Cc3noc(C)n3)C2)n2ncnc2n1 71859518 RVQIICZJIZPSPW-ZDUSSCGKSA-N 342.407 1.225 0 40 EDAB C[C@H](O)CN1CCN(C(=O)Cc2ccc(-n3cccc3)cc2)CC1 71871224 YEMRZFBUPUQOSL-INIZCTEOSA-N 327.428 1.545 0 40 EDAB CNC(=O)NC(=O)[C@H](Sc1nnnn1C1CC1)c1ccccc1 8071134 KWFREMVBOVTQTM-LLVKDONJSA-N 332.389 1.297 0 40 EDAB COC(=O)[C@@H](CO)NC(=O)CCCSc1ccc(Cl)cc1 8277298 TYZCSACDUXFRKV-GFCCVEGCSA-N 331.821 1.862 0 40 EDAB CC(C)N(C)S(=O)(=O)NCCc1csc(N2CCCC2)n1 70014896 RELUSRTWFAYIRC-UHFFFAOYSA-N 332.495 1.460 0 40 EDAB CN(C)c1cc(C(=O)N2CCC(Nc3cccnn3)CC2)ccn1 70020653 XMEXMRJOXWQUBN-UHFFFAOYSA-N 326.404 1.654 0 40 EDAB COCCOCCCNC(=O)CCCn1nnc(-c2ccccc2)n1 69348656 QKVATKKSXOHQID-UHFFFAOYSA-N 347.419 1.290 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)CCN2CCc3c(ncn3C)C2)c1 69490421 HLWUTWKNCQVZEW-UHFFFAOYSA-N 333.457 1.869 0 40 EDAB COC(=O)c1sc(S(=O)(=O)N(C)C(C)C)c(C(=O)OC)c1C 8429058 FSOGXIUYJBUAAC-UHFFFAOYSA-N 349.430 1.659 0 40 EDAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)NC1CCCC1 8428981 SDOYLMPREONDGU-UHFFFAOYSA-N 347.415 1.727 0 40 EDAB CCC[C@@H](C)CC(=O)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 69629701 XRMQPJGIZCPHIM-GFCCVEGCSA-N 340.445 1.954 0 40 EDAB CC1(C)CN(C(=O)NC2CCN(CCc3ccncc3)CC2)CCO1 69739329 RYGHXDWZSOHGEV-UHFFFAOYSA-N 346.475 1.909 0 40 EDAB CCNC(=O)N1CCN([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 69737020 FREUPWCWYVIILI-OAHLLOKOSA-N 332.448 1.978 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@@H](Cn2cncn2)C1 69771263 QICYALYLRNOFSK-MRXNPFEDSA-N 345.422 1.788 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)NCC1(c2ccccc2)CCC1 69740451 OTXOVBQKKUREIT-INIZCTEOSA-N 339.443 1.421 0 40 EDAB Cn1c(=O)[nH]cc(C(=O)Nc2ccc(Br)cc2F)c1=O 70634680 KIYSXXSRWMOEJI-UHFFFAOYSA-N 342.124 1.228 0 40 EDAB CCCc1cc(NC[C@@H]2CCCN2c2cccnn2)n2ncnc2n1 69841498 OHNXUCRNJWQHPB-AWEZNQCLSA-N 338.419 1.948 0 40 EDAB CC(C)c1nnc2n1CCN(C[C@H](O)CN(C)Cc1ccccc1)C2 69842468 YJYNSBYKYQOXCZ-QGZVFWFLSA-N 343.475 1.710 0 40 EDAB CCOCCN1CCN(CC2CCN(C(C)=O)CC2)C[C@@H]1CC 69973939 MMSOJRSZEQIEPS-SFHVURJKSA-N 325.497 1.678 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)CN2CCO[C@H](CN(C)C)C2)cc1C 69972608 OEONNMTWTYKWAZ-SJLPKXTDSA-N 333.476 1.743 0 40 EDAB COCCNS(=O)(=O)c1cc(Br)c(C)cc1OC 8714898 KLCNCCWIQAOHPD-UHFFFAOYSA-N 338.223 1.691 0 40 EDAB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 8774686 HGYRCRMICQKEMR-YSKGHYERSA-N 349.861 1.759 0 40 EDAB COc1ccc(C)cc1CN1NS(=O)(=O)c2ccccc2C1=O 8718295 MDDWJNUCJVFSBR-UHFFFAOYSA-N 332.381 1.853 0 40 EDAB CC(C)c1nccn1CC(=O)N1CCN(C(=O)c2ccco2)CC1 97053499 XRVGGJLKVXDNQS-UHFFFAOYSA-N 330.388 1.584 0 40 EDAB CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](n2cncn2)C1)c1ccccc1 72272232 IDPHSJXKKKTMAS-SJORKVTESA-N 341.415 1.709 0 40 EDAB COc1cccc(CS(=O)(=O)N[C@@H](C)CN2CCCCC2)c1 97104206 ANOIGALJLGEKFB-AWEZNQCLSA-N 326.462 1.989 0 40 EDAB Cc1nc(CNC(=O)N2CCO[C@@H](CCc3ccccc3)C2)no1 97110125 GPGJMXYODNXHMC-HNNXBMFYSA-N 330.388 1.921 0 40 EDAB Cc1nn(CCO)c(C)c1CNC[C@@H](O)c1ccc(F)cc1F 97159915 LKNWBTNHQMAGQC-MRXNPFEDSA-N 325.359 1.594 0 40 EDAB CN(C(=O)Cc1cc(F)ccc1F)[C@@H]1CCC[C@H]1S(C)(=O)=O 85294411 XNLFETRYHUPWEG-ZIAGYGMSSA-N 331.384 1.931 0 40 EDAB Cc1cccc2c1N(C(=O)Cc1ccc(S(N)(=O)=O)s1)CC2 95977727 FOFIHSBRRWOGAB-UHFFFAOYSA-N 336.438 1.836 0 40 EDAB OC[C@H]1CCCN1C[C@H]1CCCN1Cc1ncn(-c2ccccc2)n1 95983395 WRNCQGBNUFRKPX-QZTJIDSGSA-N 341.459 1.688 0 40 EDAB COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)cn1 95947032 TUEIYCRTLYTOJP-KRWDZBQOSA-N 339.395 1.680 0 40 EDAB C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1nnc2n1CCC2 86396808 VDPBPDLUNYTDOF-YVEFUNNKSA-N 325.416 2.000 0 40 EDAB Cc1ccc(C)n1-c1c(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cnn1C 89652260 CIPCURSJGGGLJD-KGLIPLIRSA-N 343.431 1.602 0 40 EDAB CC(C)OC[C@H](O)CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 89887775 LAZBFSGANQESKY-CRAIPNDOSA-N 332.400 1.252 0 40 EDAB NC(=O)Cn1cc(C(=O)N2CCC(=Cc3ccccc3)CC2)nn1 89828171 DHNXTOLQBWJKFJ-UHFFFAOYSA-N 325.372 1.083 0 40 EDAB CC1(C)Cc2cccc(OCCC(=O)N3CCC[C@@H](C(N)=O)C3)c2O1 89919707 QCGRCWYARJBKMY-CQSZACIVSA-N 346.427 1.893 0 40 EDAB Cc1cc(C)n2cc(CN(C)CC3CCN(CCO)CC3)nc2n1 75603057 LJYJVSAXCWOVGC-UHFFFAOYSA-N 331.464 1.482 0 40 EDAB Cc1cccn2cc(CC(=O)N3C[C@@H](N4CCOCC4)[C@H](C)C3)nc12 76051237 IQQAOFJIBCGKIX-NVXWUHKLSA-N 342.443 1.364 0 40 EDAB CCCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408551319 HHOFZCZQMKCQIX-LBPRGKRZSA-N 328.434 1.587 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN(c2c3c(nc4ncnn24)CCC3)C1 35314574 XIUYPUBFTRSNKZ-LLVKDONJSA-N 326.404 1.108 0 40 EDAB O=C(NCc1ccnc(OC(F)F)c1)c1noc2c1COCC2 527612395 NQUWOYAWQKUGBL-UHFFFAOYSA-N 325.271 1.674 0 40 EDAB CC[C@@H](NS(=O)(=O)c1c(C(=O)O)cnn1C)c1nccs1 530155909 ZRBFMVSVYFJJJL-MRVPVSSYSA-N 330.391 1.004 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@@H]2CCCO2)cc2c1NC(=O)C2(C)C 71196004 NJVBNPAXBFSGIV-NSHDSACASA-N 338.429 1.682 0 40 EDAB CC1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)CC1 72241780 JVIWABBHHMQMQV-IRXDYDNUSA-N 334.391 1.983 0 40 EDAB Nc1c(I)ncnc1I 36452972 YKCUYWBKUSVPSM-UHFFFAOYSA-N 346.897 1.268 0 40 EDAB Cc1cccc(OC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1 72351126 BCQOLKQWBPPITL-UHFFFAOYSA-N 335.429 1.961 0 40 EDAB Cc1cnc(CCNC(=O)[C@H]2CN(c3nccs3)CCO2)s1 72366526 RFNOEDKSTKXXSN-LLVKDONJSA-N 338.458 1.472 0 40 EDAB NC(=O)[C@@H]1CC(C(=O)NOCc2ccccc2)=NN1c1ccccc1 30856814 NWFWIRWLUGHMHV-INIZCTEOSA-N 338.367 1.355 0 40 EDAB CC(C)OC(=O)N1CCC(OC(=O)CCN2CCCC2=O)CC1 79037186 ZZGQXDWMJAGWFV-UHFFFAOYSA-N 326.393 1.552 0 40 EDAB COc1ccnc(CNC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)n1 564322679 BKKWJXAOHVOVJV-VIFPVBQESA-N 348.325 1.737 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)CC1 71280460 WXHKVPWGQZXPDE-KGLIPLIRSA-N 335.404 1.292 0 40 EDAB Cc1noc([C@H]2CCCCN2S(=O)(=O)c2c(C)noc2C)n1 41122682 CFSNVPGXGPGNLX-LLVKDONJSA-N 326.378 1.899 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NCc1cnn2ccccc12 75162705 HOSWKTJRJPQKFK-UHFFFAOYSA-N 333.351 1.361 0 40 EDAB Cc1csc(NC(=O)[C@H]2COCC(=O)N2Cc2cccs2)n1 85472599 CRLVZWLPICWGHE-LLVKDONJSA-N 337.426 1.879 0 40 EDAB O=C(N[C@@H]1CC[C@@H]2CN(c3ncc(F)cn3)C[C@H]2C1)c1cnsn1 1068254085 OKKUQDLCRKYRBC-CKYFFXLPSA-N 348.407 1.502 0 40 EDAB CCCN1CC[C@@H](CNC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)C1 195571477 FHSUONQDRIZMHZ-HOTGVXAUSA-N 340.512 1.205 0 40 EDAB CC(C)[C@@H]1CN([C@@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CCO1 571887305 CINFIPRTGHTGIE-BBRMVZONSA-N 334.416 1.746 0 40 EDAB CCCn1nc(C(=O)NCC(=O)Nc2cccc(C)c2C)ccc1=O 40159729 BUEDZWMRFWNZNC-UHFFFAOYSA-N 342.399 1.639 0 40 EDAB O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1ccccc1 49546359 KPUFUUHXVUJKJT-UHFFFAOYSA-N 344.367 1.490 0 40 EDAB O=C(Cc1cccc(F)c1)NCCNC(=O)c1c(O)cccc1F 225397065 IOTDSIVPRPULIH-UHFFFAOYSA-N 334.322 1.759 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](Oc2cnccn2)C1 225796999 JRRQWROHIFVYJQ-ZDUSSCGKSA-N 349.412 1.636 0 40 EDAB Cn1cc(CN2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)cn1 195558358 SXGUBYZQUGCMOT-OAHLLOKOSA-N 325.372 1.073 0 40 EDAB COc1ccnc(N(C)S(=O)(=O)c2ccc(F)c(OC)c2)n1 330031942 GLOFVCWMGWCGPD-UHFFFAOYSA-N 327.337 1.458 0 40 EDAB O=C(c1ccoc1)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CCO2)C1 96208343 TXAABDFWDVTHJQ-WMLDXEAASA-N 328.372 1.945 0 40 EDAB CON(C)C(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1 96403634 DRRUMCLJSVJMCH-UHFFFAOYSA-N 338.385 1.698 0 40 EDAB Cn1ccc(C(=O)N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)n1 96209405 FTMUNCLQLIIUCE-PXAZEXFGSA-N 346.362 1.122 0 40 EDAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCc1nncn1C 96403516 SZXOKSNWQAKMQG-VIFPVBQESA-N 328.294 1.918 0 40 EDAB CCn1cc(CN(C)CCOc2cccc(S(C)(=O)=O)c2)cn1 96414882 YVCBGUNWRAALGC-UHFFFAOYSA-N 337.445 1.817 0 40 EDAB Cn1cc(CCNC(=O)C(=O)Nc2cc(F)c(F)c(F)c2)cn1 96422086 KYFANDSLRPCDNI-UHFFFAOYSA-N 326.278 1.135 0 40 EDAB Cc1cc(=O)n(CCNC(=O)Nc2ccc3c(c2)OCCO3)cn1 90592396 DVNPGUUHOIOBFG-UHFFFAOYSA-N 330.344 1.145 0 40 EDAB Cc1cc(C(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)no1 96380745 OTSAKDUUYAEZRH-UHFFFAOYSA-N 340.788 1.935 0 40 EDAB Cc1cc(NC(=O)N2CCO[C@H]([C@H](C)O)C2)nn1C1CCCCC1 332614007 CIEHCALRQZVPPG-ZFWWWQNUSA-N 336.436 2.310 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)CCn2cncn2)cc1 583616217 WGKPMZVQUVYWRR-SJLPKXTDSA-N 344.415 1.576 0 40 EDAB CC(C)c1n[nH]c(NC(=O)Cn2nc3c(cc2=O)CCCCC3)n1 95478417 SWBBSBMISPAHPN-UHFFFAOYSA-N 330.392 1.392 0 40 EDAB O=C(c1csnn1)N1CCO[C@@H]2[C@H](CNc3cccnc3)CC[C@@H]21 96082611 WHFIKGWGAVNSFD-TUKIKUTGSA-N 345.428 1.665 0 40 EDAB Cc1cc(N2CCCCC2)nc(CNC(=O)c2snnc2C)n1 96120815 HGERSYMPWLXSKQ-UHFFFAOYSA-N 332.433 1.865 0 40 EDAB Cc1nnc2n1C[C@H](NCc1ccc(-n3cncn3)c(F)c1)CC2 97199466 WDGDVKIQAAVZQI-CYBMUJFWSA-N 327.367 1.411 0 40 EDAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@H]1S(C)(=O)=O 242547904 KYFMLCAOSZFIQH-NFAWXSAZSA-N 343.470 1.515 0 40 EDAB CC(C)NC(=O)OC1CN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 585083472 XIOBCVZVJDTADX-UHFFFAOYSA-N 346.362 1.970 0 40 EDAB Cc1cc(CN(C)Cc2cn(C)nc2I)no1 585136656 OPFOEMCJQILMSC-UHFFFAOYSA-N 346.172 1.953 0 40 EDAB CCOC(=O)[C@H](NC(=O)[C@@H]1CC[C@H](CC)O1)[C@H](O)c1ccncc1 585129034 VPLOTNLRAIEWHI-BYNSBNAKSA-N 336.388 1.121 0 40 EDAB COC(=O)C[C@@H]1Cc2ccccc2N1CC1(CS(C)(=O)=O)CC1 585116312 QJFPWFABWWLEFA-AWEZNQCLSA-N 337.441 1.806 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccn3nccc3n2)C1 585125126 HRVMSMFVLGRKTL-LLVKDONJSA-N 331.376 1.925 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)Cc2c(C)nn(C)c2C)CCO1 257291371 QGQWXBZBTXATNC-CQSZACIVSA-N 344.419 1.011 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)cn1 257282161 OSPSQXSMGCDPNM-IRXDYDNUSA-N 337.379 1.646 0 40 EDAB CNc1cc(C)nc([C@@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)c1 257334444 YFXGCWLFXWUUTO-HNNXBMFYSA-N 344.419 1.358 0 40 EDAB CNc1cnc(C[C@@H]2CCCN(C(=O)Cn3ccnc3)CC2)cn1 257263146 LOPUIBSEEMBVJK-CQSZACIVSA-N 328.420 1.586 0 40 EDAB Cc1noc(C)c1CC(=O)NCc1ccnc([C@]2(C)CCCO2)n1 257252246 JUBZHFIWESJTLY-KRWDZBQOSA-N 330.388 1.966 0 40 EDAB O=C(O)c1cccc(CS(=O)(=O)NCCc2nccs2)c1 63134154 VUODJCKVWHFHHV-UHFFFAOYSA-N 326.399 1.503 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)CCc2ccccc2F)CCO1 257271666 MZGPAVNXXFCHRB-CQSZACIVSA-N 330.363 1.731 0 40 EDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccncn1 257239644 HQFVCCRUUUJUQN-JXSMBQFASA-N 328.416 1.871 0 40 EDAB Cc1ccc(N2CC3(C[C@@H](Oc4nccc(C)n4)CCO3)C2)nn1 253478696 MOJJTYDRTPUTOB-AWEZNQCLSA-N 327.388 1.700 0 40 EDAB COc1ccc(O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1OC 267478375 XGYNDXWKGODSRW-LBPRGKRZSA-N 336.388 1.162 0 40 EDAB CO[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccsc1 96097472 JCILODPWCSZRSP-CQSZACIVSA-N 348.380 1.919 0 40 EDAB CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)c1ccns1 1615590486 LJDZNJZVXNTGMN-RYUDHWBXSA-N 337.424 1.561 0 40 EDAB CCS(=O)(=O)c1ccccc1CC(=O)N1C[C@H](N)C2(CCC2)C1 1615555723 XIZMYHYPWAQDTE-HNNXBMFYSA-N 336.457 1.363 0 40 EDAB COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NS(C)(=O)=O 606825533 PPUCGCSCBDUANU-UHFFFAOYSA-N 336.435 1.144 0 40 EDAB CC[C@H]1CN(c2nnnn2Cc2ccc(C(N)=O)cc2)C[C@H](CC)O1 1616032152 CXAYEMMQLABRCB-GJZGRUSLSA-N 344.419 1.214 0 40 EDAB CC(C)CS(=O)(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96377673 JIYMIAPBMWHLBR-UHFFFAOYSA-N 335.422 1.269 0 40 EDAB Cc1ccc(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c(C)c1 575603485 GPKXSTFKNUEAMS-UHFFFAOYSA-N 328.420 1.550 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccc(F)cc1)[C@@H](C)C2 585098628 VTZQPKIRPJGFDH-LBPRGKRZSA-N 348.378 1.416 0 40 EDAB CCc1ccc(CN2[C@@H](Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2CO)cc1 585295269 SGLBIWKTQCZPCF-JSXRDJHFSA-N 341.451 1.759 0 40 EDAB CC(C)[C@@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(N)=O 585141116 PWXZAWAPZSXNFW-SECBINFHSA-N 328.294 1.593 0 40 EDAB CO[C@@H]1CO[C@]2(CCCN(C(=O)c3cn(C)nc3C(F)F)C2)C1 585102657 DZSGVBPVKWPIHC-ZUZCIYMTSA-N 329.347 1.768 0 40 EDAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1cccn1 29979111 ZNRXDMFTJQQRPL-UHFFFAOYSA-N 325.372 1.558 0 40 EDAB Cc1ccc(N2CCC[C@@H](NC[C@H](O)COc3ccccc3)C2)nn1 70016749 YYZQPLDAKKWHFQ-SJORKVTESA-N 342.443 1.783 0 40 EDAB O=C(OC[C@@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 71800776 QKZTXCJCZBBEHW-OCCSQVGLSA-N 347.367 1.881 0 40 EDAB CC(C)Oc1ccc(CNC(=O)NC[C@@H](C)N2CCOCC2)cn1 49130178 OWJKMEOFWKMDBJ-CQSZACIVSA-N 336.436 1.389 0 40 EDAB Cc1cc(C)n2ncc(C(=O)NCCCN3CCCCCC3=O)c2n1 40498093 BNDQEIADBHYCHB-UHFFFAOYSA-N 343.431 1.869 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)OCc1ccc(-c2ccccc2)cc1 60943168 MCVAAVVHUMVGPW-UHFFFAOYSA-N 336.347 1.947 0 40 EDAB O=S(=O)(CCC(F)(F)F)N1CCCN([C@@H]2CCSC2)CC1 1565522722 YCJHVZPMJRWXDC-LLVKDONJSA-N 346.440 1.782 0 40 EDAB Cc1cc(Br)ccc1C(=O)N1CCOC[C@@H]1C(=O)O 88373679 KYAZUGUFVYTNRU-LLVKDONJSA-N 328.162 1.683 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N1CCCC1 14167767 ROCKIFNANDSTJO-UHFFFAOYSA-N 339.823 1.841 0 40 EDAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccoc1 16158850 JYMVNQWXXMTPOE-UHFFFAOYSA-N 332.331 1.924 0 40 EDAB CC(=O)N1CCCC[C@H]1c1ncc(C(=O)N2CCOCC2)c(C)n1 19751850 OWIMVZLPDYNKLO-HNNXBMFYSA-N 332.404 1.331 0 40 EDAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)N1CCOCC1 206846254 NCQAVPBZEOEHTD-CQSZACIVSA-N 344.371 1.587 0 40 EDAB CN1CC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)CC1=O 528025271 INMIHKYZJAZROG-GDBMZVCRSA-N 336.480 1.561 0 40 EDAB CCN1CCN([C@@H](c2cccs2)[C@@H](C)NS(C)(=O)=O)CC1 22460399 TUZQXKSWWOMARK-TZMCWYRMSA-N 331.507 1.364 0 40 EDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)C[C@@H](OC)C1CCC1)CC2 585115811 UJBWRPOWLYFXQX-UONOGXRCSA-N 345.461 1.406 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCO[C@H](c2ccncc2)C1 1848352161 VCBVAAQLVTZGDT-LBPRGKRZSA-N 340.305 1.897 0 40 EDAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(S(=O)(=O)N(C)C)C3)nc1 1888875714 HZFCQQJZEVRAEQ-ZFWWWQNUSA-N 340.449 1.072 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN1CCN(Cc2ccsc2)CC1 23249015 LKIHXKHOXXFWNP-UHFFFAOYSA-N 338.477 1.490 0 40 EDAB Cc1ncc(CN2CCC[C@]3(C2)CN(c2ncccn2)C3=O)s1 1565541758 UPPGRUUFQMXYBY-INIZCTEOSA-N 329.429 1.871 0 40 EDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)C4(F)CC4)C[C@H]32)cs1 1565544276 HJVMVRQKLXHKAW-OLZOCXBDSA-N 325.409 1.365 0 40 EDAB COCCNC(=S)NCCc1cc2c(C)ccc(C)c2[nH]c1=O 4225363 WGGZWNDPNYUGGF-UHFFFAOYSA-N 333.457 1.798 0 40 EDAB O=C(NCc1cccs1)N1CCN(c2ncc(F)cn2)C(=O)C1 1775966424 CSEXJJXGVFCNTA-UHFFFAOYSA-N 335.364 1.236 0 40 EDAB CN(C)c1cc(N2CCN(C(=O)/C=C/c3ccco3)CC2)cnn1 206723993 VEHHWTDOEZESNP-AATRIKPKSA-N 327.388 1.498 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)c2ccc(F)cc2Cl)CC1 43979826 CBKUJBRYJLLALA-UHFFFAOYSA-N 348.827 1.881 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 40267516 GQDFCLHHMXITGZ-UHFFFAOYSA-N 330.344 1.021 0 40 EDAB Cn1nc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c2ccccc2c1=O 40553926 INJIVRKSXNBFGH-CABCVRRESA-N 327.384 1.717 0 40 EDAB CC[C@H]1CCCC[C@H]1NC(=O)CCn1cnc2c(cnn2C)c1=O 40516435 LINLTIYOPWCNCM-GXTWGEPZSA-N 331.420 1.605 0 40 EDAB CN1C(=O)[C@@H](NC(=O)C(=O)NCCc2ccccc2)c2ccccc21 101451600 FUUJOOFIOZTXKK-INIZCTEOSA-N 337.379 1.179 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(Cc2ccccn2)CC1 32822857 IDWOBEMJNLEPRB-UHFFFAOYSA-N 333.823 1.735 0 40 EDAB CS[C@@H](C)C(=O)NCc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 53129289 VQGQRGKPJYXFKM-NSHDSACASA-N 349.456 1.885 0 40 EDAB Cc1ccc(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1F 103527224 DPOVJORQFCJAKW-GVAFMPQTSA-N 342.370 1.671 0 40 EDAB Cn1c(S)nnc1CNC(=O)C1=Cc2cc(Cl)ccc2OC1 103982155 XYGZDSYWRYSZRN-UHFFFAOYSA-N 336.804 1.849 0 40 EDAB CCN(CC)Cc1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)o1 47681746 FFIWQUVYIAXEHU-GFCCVEGCSA-N 328.434 1.286 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1cc(C(N)=O)ccn1 78307365 KAJXZDYBZJYMBP-HNNXBMFYSA-N 339.443 1.803 0 40 EDAB C[C@H](O)CNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 78597070 OZMPFKAVLLAJHL-BQBZGAKWSA-N 335.223 1.126 0 40 EDAB C[C@H](C(=O)Nc1ccc(N(C)C)cn1)N1C(=O)c2ccccc2C1=O 78878077 DYZCOYGUUORPIK-LLVKDONJSA-N 338.367 1.771 0 40 EDAB CS(=O)(=O)NCCc1ccc(C(=O)NCC[C@H]2CCCO2)s1 23189824 OGKDJZWSIWXPAZ-LLVKDONJSA-N 346.474 1.139 0 40 EDAB Cc1c(-c2c3c(O)nn(C(C)C)c3nc3[nH]c(=O)n(C)c23)cnn1C 79481910 PRMXVYCHFHBACT-UHFFFAOYSA-N 341.375 1.607 0 40 EDAB O=C(NC[C@H]1COCCO1)c1nn(-c2ccc(F)cc2)c2c1CCC2 54613880 SEEOVLXCORNVCF-AWEZNQCLSA-N 345.374 1.645 0 40 EDAB O=C(COc1ccc(Br)cc1)O[C@@H]1CCS(=O)(=O)C1 4032015 ZNRIOANQHTVOPZ-LLVKDONJSA-N 349.202 1.558 0 40 EDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCC[C@@H]1CCCO1 24433165 KEXWGUPXEHJJPM-ZDUSSCGKSA-N 342.417 1.501 0 40 EDAB COc1cccc(CNn2nnnc2N)c1OCc1ccccc1F 7602437 LRASEWGRANVGOH-UHFFFAOYSA-N 344.350 1.726 0 40 EDAB COCC(=O)NC[C@H]1CC[C@H]([C@H](NC(C)=O)c2ccccn2)CC1 100750055 GRNCHLARWRXQRA-DAYGRLMNSA-N 333.432 1.828 0 40 EDAB CC1CCN(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1 25176743 VTWAGKULNQCHEW-LJQANCHMSA-N 345.487 1.736 0 40 EDAB CCCc1nnc(S)n1CC(=O)N(CCOC)Cc1ccco1 25095760 ARXGGDKGFSMVGJ-UHFFFAOYSA-N 338.433 1.788 0 40 EDAB O=C(CNC(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 12542311 XKDFLTOKUQPKRG-UHFFFAOYSA-N 339.395 1.892 0 40 EDAB Cc1ccc2c(c1)CC[C@H]2NC(=O)CN(C)c1ncnc2[nH]cnc12 56316604 LQFWGBSTIJSVRE-CQSZACIVSA-N 336.399 1.901 0 40 EDAB C[S@](=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cn2)cc1 56406141 CHRXPWNJJCKACV-XMMPIXPASA-N 345.424 1.908 0 40 EDAB CN(C[C@@H]1CN(C[C@@H](O)c2ccccc2)CCO1)c1cccnn1 107353954 RNAQDVLCBTXRHJ-IAGOWNOFSA-N 328.416 1.347 0 40 EDAB CCOc1ccc(CN(C)Cc2cc(=O)n(C)c(=O)n2C)cc1OC 56640505 CYSZNMWEKGZBLP-UHFFFAOYSA-N 347.415 1.123 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 12686867 VWXXGUSALXCMEQ-TXEJJXNPSA-N 343.383 1.869 0 40 EDAB O=C(CN1CCC[C@H](CO)C1)Nc1cccc(N2CCCC2=O)c1 10053100 OTDXQJXXSFWNKV-AWEZNQCLSA-N 331.416 1.456 0 40 EDAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ncccc2C)cc1 12632578 SVIZQZBVIFLMMG-UHFFFAOYSA-N 349.412 1.567 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCc1ccccn1 44891752 RQUZJHSUJLVERB-LBPRGKRZSA-N 348.428 1.632 0 40 EDAB CC(C)[C@H](C(=O)N1CCSCC1)N1C(=O)c2ccccc2C1=O 58281219 MQSHXTQGWJKOAB-CQSZACIVSA-N 332.425 1.883 0 40 EDAB COC(=O)C1(NC(=O)C[C@@H]2CCS(=O)(=O)C2)CCC(C)CC1 58264705 ZSFMGRGHPLLORB-AVERBVTBSA-N 331.434 1.049 0 40 EDAB COC(=O)c1cccc(C(=O)NCc2ccc(-n3ccnc3)nc2)c1 58226734 VKASRMXRTGVYQB-UHFFFAOYSA-N 336.351 1.984 0 40 EDAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)N[C@@H]1CCS(=O)(=O)C1 44966273 RLBYBXIGIDIFRR-CYBMUJFWSA-N 334.401 1.063 0 40 EDAB O=C1[C@H](N[C@H]2CCc3ncnn3C2)CCCN1c1cccc(F)c1 115542800 RRSXVGZULXAMFJ-DZGCQCFKSA-N 329.379 1.517 0 40 EDAB COc1cccc(-c2noc(CS(=O)(=O)C[C@@H]3CCCO3)n2)c1 44909282 QBRVNVWGDHOZIE-ZDUSSCGKSA-N 338.385 1.839 0 40 EDAB CCCn1nc(C(=O)NC[C@H](O)c2cccc(Cl)c2)ccc1=O 44919235 KUFORWIPSOGGGL-AWEZNQCLSA-N 335.791 1.770 0 40 EDAB COc1ncccc1CNC(=O)NCCN1CCc2ccccc2C1 44908650 PTQXEJHJHHNZNM-UHFFFAOYSA-N 340.427 1.948 0 40 EDAB C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(Cl)cc1Cl 12776707 PQTQMIGKZUEABE-MRVPVSSYSA-N 342.182 1.721 0 40 EDAB C[C@H]1CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)[C@H](C)CO1 58345442 GQARWNZAQLOJHH-OLZOCXBDSA-N 343.383 1.707 0 40 EDAB CC(C)NC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 58538383 FSLAFPPAXZHKDS-UHFFFAOYSA-N 329.404 1.159 0 40 EDAB C[C@H](NC(=O)CCOc1ccccc1)c1ccc(S(N)(=O)=O)cc1 3376834 ADGHLTKQCJMCOZ-ZDUSSCGKSA-N 348.424 1.980 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 48326319 PWKPPJZUTUCAHY-CYBMUJFWSA-N 332.791 1.840 0 40 EDAB CC(C)N(C(=O)COC(=O)c1nn(C)c(=O)c2ccccc12)C(C)C 2615893 UHKFUSJBTOKMIQ-UHFFFAOYSA-N 345.399 1.736 0 40 EDAB C[C@H](NC(=O)N1CCN(Cc2cccs2)CC1)c1nncn1C 46964475 IRTYBTFBZICIFF-LBPRGKRZSA-N 334.449 1.465 0 40 EDAB O=C1C[C@H](C(=O)N[C@H]2CCN3CCCC[C@H]23)c2ccc(F)cc2N1 46998279 OYYKLLJLWPVHAR-OFQRWUPVSA-N 331.391 1.995 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)Cc1cc2ccccc2[nH]c1=O 47059792 MTTDDOIJDBHCCN-UHFFFAOYSA-N 329.400 1.444 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3c(C)noc3C)CC2)C1 47092010 XXLMGGQNVINVNZ-INIZCTEOSA-N 348.447 1.194 0 40 EDAB O=C(CNC(=O)c1cccnc1O)Nc1ccc(F)c(F)c1F 12973561 XWYISCAYHFBSLI-UHFFFAOYSA-N 325.246 1.573 0 40 EDAB NS(=O)(=O)c1ccc(Br)c(C(=O)NCC2CC2)c1 13017370 XOCQUCHUPNRUEV-UHFFFAOYSA-N 333.207 1.236 0 40 EDAB Cc1c(C)c2ccc(OCC(=O)N[C@@H](C)C(=O)O)c(C)c2oc1=O 4046687 BALNRFNYTPEZQJ-NSHDSACASA-N 333.340 1.686 0 40 EDAB biogenic CCCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2ccccc21 4124931 DCWQMMXPTPPKDC-INIZCTEOSA-N 346.412 1.598 0 40 EDAB Cc1cccc(S(=O)(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)c1 65552056 NBZAYKWUEPMQHZ-AWEZNQCLSA-N 340.470 1.679 0 40 EDAB Cc1cccc(C)c1OCCNC(=O)CCCN1C(=O)CN(C)C1=O 65538312 WOEKVLQKPYPUGL-UHFFFAOYSA-N 347.415 1.473 0 40 EDAB CC(C)NC(=O)CNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 14187580 OQDPTYNVYLOYKG-JXMROGBWSA-N 329.400 1.467 0 40 EDAB CC(C)Cn1nccc1NC(=O)CN1C(=O)c2ccccc2C1=O 14162065 HTQNMVISBYHVAU-UHFFFAOYSA-N 326.356 1.774 0 40 EDAB COC(=O)c1ccc(NC(=O)c2cnc3sccn3c2=O)cc1 6441028 WIDYAYMSELHIPI-UHFFFAOYSA-N 329.337 1.795 0 40 EDAB CCC[C@H](C)N1C[C@@H](C(=O)Nc2cnn(CCN(C)C)c2)CC1=O 65611999 YKSZAOZXDVDFQR-KBPBESRZSA-N 335.452 1.420 0 40 EDAB COc1ccc(COC[C@@H](O)Cn2cnc3ccccc3c2=O)cc1 14249375 AGEFWHDLXSYMBD-HNNXBMFYSA-N 340.379 1.983 0 40 EDAB COc1ccc(-c2noc(CN3CCCN(C(C)=O)CC3)n2)cc1 14247971 LANQBXNPIZZMAY-UHFFFAOYSA-N 330.388 1.799 0 40 EDAB CC[C@@H](CCO)NC(=O)Nc1nc2ccc(Br)cn2n1 97376554 PHUKLNQIEXUOJB-VIFPVBQESA-N 342.197 1.774 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN(C[C@@H](O)c2cccc(Cl)c2)C1 72631777 LOGUKYAHHLULIZ-SMDDNHRTSA-N 332.853 1.374 0 40 EDAB COC(=O)c1ccc2c(c1)CCN2C(=O)CN1CCCCCC1=O 66344510 YSMJQINLNBBMDU-UHFFFAOYSA-N 330.384 1.765 0 40 EDAB CCN1C[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1=O 66706510 TUKMVVGHQPTPDZ-SWLSCSKDSA-N 338.354 1.733 0 40 EDAB CC(=O)c1c(F)cccc1N(C)C1CCN(S(C)(=O)=O)CC1 95413056 MSSQJRXUTPFPNN-UHFFFAOYSA-N 328.409 1.889 0 40 EDAB C[C@H]1CCCN(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)C1 15373922 JEABLJMLZAIEFT-LBPRGKRZSA-N 335.429 1.698 0 40 EDAB NC(=O)NCc1ccc(C(=O)NCCOc2ccc(F)cc2F)cc1 71883358 GKHQEZWMYNNTLM-UHFFFAOYSA-N 349.337 1.942 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCc2ccc(F)cc21 71856812 IGFRGMFAURXADU-UHFFFAOYSA-N 340.358 1.910 0 40 EDAB CCOC(=O)[C@@H]1CCCN(Cc2cc(=O)n3cc(C)ccc3n2)C1 7436370 BSRBMWVVORDQQY-CQSZACIVSA-N 329.400 1.778 0 40 EDAB NC(=O)[C@@H](NC(=O)NCCOc1ccc(F)c(F)c1)c1ccccc1 71882538 VHQCWCMTAYPALR-HNNXBMFYSA-N 349.337 1.869 0 40 EDAB CC(=O)Nc1cccc(OCCNC(=O)NC2CCC(O)CC2)c1 71803875 DLSICXKBSBTUFR-UHFFFAOYSA-N 335.404 1.627 0 40 EDAB Cc1ccc(-c2nc(CC(=O)N3CCN(C[C@H](C)O)CC3)cs2)o1 71871217 HXEBGFYWENGVIG-LBPRGKRZSA-N 349.456 1.779 0 40 EDAB Nc1nccnc1C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 7699048 XBVGIWGACSAESO-CYBMUJFWSA-N 326.356 1.409 0 40 EDAB O=C(OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)C1CC1 7778263 XOEZSCQVEQTLBN-CQSZACIVSA-N 343.445 1.288 0 40 EDAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccoc1 16158099 PQELFGDELPTHOB-UHFFFAOYSA-N 332.331 1.924 0 40 EDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1c(F)cccc1F 7866099 WRZPFWNAWDUYTP-RXMQYKEDSA-N 326.332 1.434 0 40 EDAB CC(C)[S@@](=O)c1ccc(C(=O)NC[C@H](C)N2CCOCC2)cc1 71921258 CAUOZUVYEAKKRT-PSLXWICFSA-N 338.473 1.653 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2C2OCCO2)c1C 69292826 UGUIUOBDSXOKJW-GFCCVEGCSA-N 336.388 1.786 0 40 EDAB COCCN1CCN(CC(=O)N(C)Cc2ccc(F)cc2)C[C@@H]1C 70018291 LFNCXERFKASUPM-HNNXBMFYSA-N 337.439 1.437 0 40 EDAB COc1cc(C(=O)Nc2cc(O)nc3ncnn23)cc(OC)c1OC 17042902 MWPBSKLMCVCNFG-UHFFFAOYSA-N 345.315 1.108 0 40 EDAB CCc1nnc2n1CCN(C(=O)Cc1ccc(-n3cccn3)cc1)C2 69484937 AEKFGLIGWVKPEG-UHFFFAOYSA-N 336.399 1.611 0 40 EDAB Cn1cc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)ccc1=O 69570118 WLFREGLFKYPJRK-UHFFFAOYSA-N 345.443 1.640 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CCSCC2)C1 69581162 NDRWQPXIUAWLKQ-HZPDHXFCSA-N 347.484 1.500 0 40 EDAB Cc1ccccc1OC[C@H](O)CN1CCN(Cc2nccn2C)CC1 69535664 QAIDLPNCCAZBRD-QGZVFWFLSA-N 344.459 1.286 0 40 EDAB Cc1nnc(NC(=O)C(=O)NCCc2ccc(N(C)C)cc2)s1 69615992 NXPAGHRVVSPXJC-UHFFFAOYSA-N 333.417 1.210 0 40 EDAB COc1ccccc1CC1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 69701497 MUFDTLMSWZXUMH-INIZCTEOSA-N 330.428 1.955 0 40 EDAB CC(=O)N1CCN(C(=O)CN[C@@H](c2ccccc2)C2CCC2)CC1 69741742 MWXWSEMYRORXAK-IBGZPJMESA-N 329.444 1.808 0 40 EDAB Cc1cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)ccc1Br 92006147 MQHGDGQGASPOMR-ZWNOBZJWSA-N 327.222 1.832 0 40 EDAB CCNS(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CCCO2)cc1 409389134 GLILBJRSCLOJRJ-AWEZNQCLSA-N 340.445 1.213 0 40 EDAB CN(C[C@@H](O)COc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 69847025 LMZXCVAZAICUBC-IAGOWNOFSA-N 342.443 1.817 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 69845984 OSRBSRLUCRHGOO-UHFFFAOYSA-N 342.399 1.497 0 40 EDAB CCc1nc2n(n1)C[C@@H](NC[C@H](O)COCc1cccs1)CC2 69843628 QNBYFXMZEFZCIA-STQMWFEESA-N 336.461 1.384 0 40 EDAB c1cnnc(N2CCC[C@H](NCc3cnc(N4CCCC4)nc3)C2)c1 69951426 PVLRKJWHWIYPTH-INIZCTEOSA-N 339.447 1.625 0 40 EDAB COc1ccc(-c2nc(CN[C@@H]3CCc4nc(C)nn4C3)no2)cc1 69969779 JOLYZYHSBSDCDB-CYBMUJFWSA-N 340.387 1.750 0 40 EDAB Cc1cc(NC(=O)CN(C)[C@@H]2CCCN(c3cccnn3)C2)on1 69924808 YUTWRWPLYMWFQN-CYBMUJFWSA-N 330.392 1.312 0 40 EDAB COc1cc(OC)cc([C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O)c1 8700668 YVEASTJAAFHWES-CHWSQXEVSA-N 341.360 1.715 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@H](N)C2)sc1Br 94541258 UUCOWOSXGBINNH-QMMMGPOBSA-N 339.280 1.931 0 40 EDAB C[C@H](Nc1ccc(F)c(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 8987511 CQZNESIHWXTPSF-WPRPVWTQSA-N 334.800 1.583 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccn(C)c(=O)c2)n1 72279946 RYEBHUKHVJGEFK-MRXNPFEDSA-N 328.416 1.894 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1 72285370 UIHJCDOJLBCEDV-LBPRGKRZSA-N 342.226 1.489 0 40 EDAB O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CCCN(C(=O)C2CC2)CC1 97103217 LSSGVKUINDNFSE-FGTMMUONSA-N 339.439 1.979 0 40 EDAB O=C(Cn1cnc2ncccc2c1=O)N[C@@H]1CCOc2ccccc21 73698004 SPFFKBJVZMWUSU-CQSZACIVSA-N 336.351 1.432 0 40 EDAB C[C@@H](CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CN1CCOCC1 95968267 QXZHKHQYBYKNBP-GJZGRUSLSA-N 340.489 1.709 0 40 EDAB O=C(Cn1nc2ccccn2c1=O)NCc1ncc(-c2ccccc2)[nH]1 95995916 CJZACONJAAKFGQ-UHFFFAOYSA-N 348.366 1.203 0 40 EDAB CCOC(=O)[C@@H]1C[C@@H]1c1nc2sc(C(=O)NC)c(C)c2c(=O)[nH]1 95993716 GBZZWOGXRYURRJ-JGVFFNPUSA-N 335.385 1.319 0 40 EDAB Cc1ccccc1OCCNC(=O)CN(C)c1ncnc2[nH]cnc12 95954401 OZZXLFWDCYBJBL-UHFFFAOYSA-N 340.387 1.293 0 40 EDAB CN(CCO)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 75572460 JTVXYPKQFYERRM-LBPRGKRZSA-N 345.321 1.217 0 40 EDAB COc1cccc([C@H](NS(=O)(=O)Cc2cc(C)no2)C(=O)O)c1 548533983 MSFYUUYDBTYHOP-ZDUSSCGKSA-N 340.357 1.237 0 40 EDAB NC(=O)c1c(NC(=O)c2nccnc2C(=O)O)sc2c1CCCC2 32087804 XZBANCCLIRQXHG-UHFFFAOYSA-N 346.368 1.466 0 40 EDAB CN1CCN(c2ccc(NC(=O)c3cnn4c3CCC4)cn2)CC1 517010311 DNLYYFXQVOLOIQ-UHFFFAOYSA-N 326.404 1.228 0 40 EDAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCOC[C@@H]1C(=O)O 521363662 KXINNSXTVLGCRA-MRXNPFEDSA-N 328.368 1.706 0 40 EDAB COc1ncccc1N(C)C(=O)c1cncc(N2CCOCC2)c1 535322560 PTQXKKODJCVDNZ-UHFFFAOYSA-N 328.372 1.598 0 40 EDAB Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)no1 38630864 DMQUKSQAFMJKHG-QGZVFWFLSA-N 346.406 1.841 0 40 EDAB O=C(c1ccco1)N1CCC(n2nnn(-c3cccs3)c2=O)CC1 72337606 UWYJPWMMTVTBSX-UHFFFAOYSA-N 345.384 1.561 0 40 EDAB CN(C)c1ncc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3N)CC2)cn1 561008533 NMXFYVMDFYDLLK-CABCVRRESA-N 348.451 1.293 0 40 EDAB C[C@@H]1CCCC[C@H]1N(C)C(=O)C1=NN(c2ccccc2)C(=O)CN1 33018350 DCERQLPUJYUYHN-UKRRQHHQSA-N 328.416 1.973 0 40 EDAB COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(N)ccc2n1C 36369918 BWGFBBPLUPOWFC-UHFFFAOYSA-N 327.388 1.871 0 40 EDAB biogenic CCN1CN(C(=O)NCc2cn(-c3ccccc3)nc2C)CC1=O 190073835 ZSNHWIOMVITXOC-UHFFFAOYSA-N 327.388 1.512 0 40 EDAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NC(C)C)s1 222918048 KSOAVJHGOHTUER-UHFFFAOYSA-N 340.430 1.786 0 40 EDAB O=C(NCc1ccc(F)cc1F)[C@H]1CSc2nccc(=O)n2C1 85473994 YOEHGQGHHINDQD-SNVBAGLBSA-N 337.351 1.560 0 40 EDAB COc1ccc(-c2cnn(CCCC(=O)NCC(=O)N(C)C)c2)cc1 227166181 PVWKUXXPZUHDOD-UHFFFAOYSA-N 344.415 1.543 0 40 EDAB O=C(CN1CCNCC1=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 1580549279 SZTTUWVMCFWRJM-QWHCGFSZSA-N 341.333 1.109 0 40 EDAB O=C(O)[C@@H](Cc1ccccc1)n1ccc2c(cnc3ccnn32)c1=O 40387574 BTGHWNFHWFUWSM-OAHLLOKOSA-N 334.335 1.913 0 40 EDAB Cc1cccc(CN2CC[C@@]3(CCCN([C@@H]4CCOC4)C3)C2=O)n1 96074107 FQVZPLZOAIDEHU-IEBWSBKVSA-N 329.444 1.993 0 40 EDAB O=C(NC1(c2nc(C3CC3)no2)CCOCC1)OC[C@@H]1CCCO1 585088458 VWBGAUGQPLLJCJ-LBPRGKRZSA-N 337.376 1.858 0 40 EDAB C[S@@](=O)CCNC(=O)NC1CCN(CC2CCCCC2)CC1 96408803 GJWDQZKYKRBKKR-QFIPXVFZSA-N 329.510 1.709 0 40 EDAB Cc1cncnc1N1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 96096709 QIXTWOZERKOXSC-UHFFFAOYSA-N 341.371 1.868 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)CCc1ccc3c(c1)OCO3)CC2 97198664 RFSIBABTNQBYMQ-ZDUSSCGKSA-N 342.399 1.633 0 40 EDAB CN1CCN(c2ccc3ccc(C(=O)N4CCC[C@H](O)C4)cn23)CC1 96088311 VJFJPQQYBCAGAW-KRWDZBQOSA-N 342.443 1.288 0 40 EDAB Cc1occc1C(=O)N1CCn2c(Cn3cncn3)cnc2[C@@H]1C 96062098 ARZKFQVPOMBITP-NSHDSACASA-N 326.360 1.641 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)CN2CCOCC2)cc1 583621069 WSIWEVGOBFGDSK-MJGOQNOKSA-N 348.443 1.226 0 40 EDAB CC(=O)NC1CCC(N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1 583619472 HZZNSRLFQCKLPM-IOTAOYMUSA-N 330.432 1.390 0 40 EDAB c1csc(CN2CCOC[C@@]3(C[C@H](Cn4cnnc4)CO3)C2)c1 96240606 TWSUUXRJZJOGMH-GDBMZVCRSA-N 334.445 1.647 0 40 EDAB CC(C)Nc1ccnc([C@@H]2COCCN2C(=O)Cc2ccccn2)n1 96209833 JPIQIWJLSSONQW-HNNXBMFYSA-N 341.415 1.835 0 40 EDAB O=C(NCC1CC1)[C@H]1CCC2(CCN(C(=O)c3cccnc3)CC2)O1 96061198 BHEOFMNEVSDBFC-MRXNPFEDSA-N 343.427 1.762 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](COCC1CC1)N(C)C2 96209307 BNJHCULDEXUSIX-OAHLLOKOSA-N 330.494 1.549 0 40 EDAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]1C[C@H]1C(=O)O 584907983 GTGUPWMXZWPTBT-HZPDHXFCSA-N 327.384 1.950 0 40 EDAB CN(C)CCn1c2c(ccc1=O)C[C@H](NC(=O)NC1CCCC1)CC2 96189655 UCIAXYISSLYVOJ-MRXNPFEDSA-N 346.475 1.509 0 40 EDAB Cc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)CCC(=O)O)C3)cc1 96269228 USKAADSQKLSSHM-AWEZNQCLSA-N 343.383 1.738 0 40 EDAB biogenic,in-vitro O=C(CCc1ccc(Br)cc1)NCCN1CCOCC1 96451157 JSQXIAHRJRVRTC-UHFFFAOYSA-N 341.249 1.830 0 40 EDAB C[C@H](C(=O)N1CCCCC1)N1CCN(C(=O)Cc2cccnc2)CC1 96449102 HQBQCVBPMYEBSN-MRXNPFEDSA-N 344.459 1.169 0 40 EDAB CC(C)c1c(C(=O)N2CC[C@@H](CC(N)=O)C2)cnn1-c1ccccn1 585083372 YRZODTFJPRQBGI-ZDUSSCGKSA-N 341.415 1.728 0 40 EDAB CN(C)c1cccc(C(=O)N2CC[C@@]3(C[C@H]3C(=O)NC3CC3)C2)c1 96227605 UQYMLKIECUGKBL-QFBILLFUSA-N 327.428 1.883 0 40 EDAB CS(=O)(=O)N1Cc2cnn(CC3CC3)c2[C@H](COCC2CC2)C1 96198427 YUPNXDNMLHGRBY-HNNXBMFYSA-N 339.461 1.579 0 40 EDAB Cc1nc(CN2Cc3ccnn3[C@H](CC(=O)N3CCC3)C2)cs1 247958835 NKRWCHZRYYROOD-OAHLLOKOSA-N 331.445 1.827 0 40 EDAB Cn1cncc1C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 585113021 YNYVEOFEQIUXLR-OLZOCXBDSA-N 334.420 1.986 0 40 EDAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccnc3c(C(=O)O)cnn23)C1(C)C 585134120 FGIWUASXBITYRN-CHWSQXEVSA-N 346.387 1.703 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 245344125 XRFDPRUNMLDPFI-RVIYUIFMSA-N 336.461 1.668 0 40 EDAB CS(=O)(=O)NC[C@@H]1CN(Cc2cccs2)Cc2ccnn2C1 247516163 JXPGOYYHUDWEIF-GFCCVEGCSA-N 340.474 1.126 0 40 EDAB Cc1nc(-c2cc[nH]n2)cc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257283694 OZKNHVNFQSXKNY-AWEZNQCLSA-N 336.421 1.118 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(C(=O)C2(c3ccccc3)CCCC2)C1 257338746 YYUUKCKYLDCEJG-INIZCTEOSA-N 343.471 1.635 0 40 EDAB CN(C)Cc1nccnc1C1CCN(C(=O)c2cccnn2)CC1 257301929 SAPHYNYALSKTNT-UHFFFAOYSA-N 326.404 1.348 0 40 EDAB Cc1cc(C)nc([C@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 257318784 VPISKXKUWVBVCN-CQSZACIVSA-N 325.434 1.739 0 40 EDAB CCc1noc(CCC(=O)N2CCNC[C@H]2c2ccccc2OC)n1 257287023 PODSSDFAFNKILV-AWEZNQCLSA-N 344.415 1.746 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(COC)cc2)CCN1C(C)C 257305603 SQSZWBBYULONJW-INIZCTEOSA-N 333.432 1.114 0 40 EDAB CN(C)C(=O)CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 69778148 JRHYNSWECNOTOY-UHFFFAOYSA-N 336.411 1.178 0 40 EDAB Cc1cc2nc(C3CCN(CC(=O)N4CCCC4)CC3)cc(O)n2n1 257252490 JUZLEELYDXCXNB-UHFFFAOYSA-N 343.431 1.545 0 40 EDAB CN(C[C@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1cnccn1 257255231 KGQPWIZJTNXOTJ-QGZVFWFLSA-N 345.378 1.114 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(Cc3nccs3)CCN2C)c1 257274599 NLUMUFJTFJKUTI-OAHLLOKOSA-N 330.457 1.991 0 40 EDAB CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc(C)n1 257298434 RLOQBHJZBMWXOX-LBPRGKRZSA-N 336.421 1.086 0 40 EDAB O=C(NCc1ccnc([C@H]2CCCOC2)n1)c1n[nH]c2c1CCC2 257281233 OOFZWEPSNZUDKF-NSHDSACASA-N 327.388 1.512 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1ccc2nncn2c1 69703771 VNGHRCVGXSLNFE-ZDUSSCGKSA-N 345.403 1.859 0 40 EDAB COCCN1CCC(c2cc(N3C[C@@H](C)OC3=O)nc(C)n2)CC1 257203420 APZDWJIDBPZTIW-GFCCVEGCSA-N 334.420 1.956 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(Cc3cnn(C)c3)CCN2C)c1 257305650 SQWUNXRPKVRWGP-KRWDZBQOSA-N 327.432 1.268 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)c3cccc(C)n3)CC[C@H]21 257281742 OQUCNRKDHZNOHX-DOTOQJQBSA-N 345.443 1.880 0 40 EDAB Cc1noc(C)c1CCC(=O)N[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257283616 OZAOOTFCSDVQSC-JFIYKMOQSA-N 345.399 1.706 0 40 EDAB CCOc1ccc(C(=O)NCc2nc(OC)nc(N(C)C)n2)cc1 575603795 KTZKXLQJCHHEOP-UHFFFAOYSA-N 331.376 1.275 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 575403779 OCECMXUFUFFMND-GJZGRUSLSA-N 341.473 1.553 0 40 EDAB CC(=O)N1CCC[C@H](NC(=O)c2cc[nH]n2)[C@@H]1Cc1cccc(F)c1 585281411 XBFDRUXUJDVYPB-RDJZCZTQSA-N 344.390 1.901 0 40 EDAB Cc1cnc(NCC[C@@H]2CCOC23CN(C(=O)c2ccco2)C3)nc1 585102668 FNCANJYTJDROJT-CQSZACIVSA-N 342.399 2.111 0 40 EDAB CNc1cc(C(=O)N2CC[C@@H](O)[C@H](Cc3cccc(F)c3)C2)ccn1 585277055 RTBRZIMXTWCWJO-NVXWUHKLSA-N 343.402 2.328 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCOC[C@@H]2c2ncc(C)[nH]2)c1C 585181456 KMFYMPDNCFICIF-GFCCVEGCSA-N 339.421 1.005 0 40 EDAB CCc1nc2ccccc2n1CC(=O)NC[C@H]1CCCN1CCOC 65495365 LKGYFUMXVPSHLM-OAHLLOKOSA-N 344.459 1.826 0 40 EDAB O=C1COc2ccc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cc2N1 56952221 HKYFDBFLTCUWJO-ZDUSSCGKSA-N 342.355 1.645 0 40 EDAB C[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc2ccccc12 83981575 QCADNHVJUJASRH-CQSZACIVSA-N 334.441 1.839 0 40 EDAB CCS(=O)(=O)NCc1cc(OC)c(OC)cc1Br 58392724 CQBARANTAQXQSR-UHFFFAOYSA-N 338.223 1.906 0 40 EDAB CC(C)CNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 89840238 LZIANJGBKPCCPD-ZWKOTPCHSA-N 331.460 1.344 0 40 EDAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 5452501 IRUXGTGILZXWKK-UHFFFAOYSA-N 348.362 1.670 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3C[C@H](C)O[C@@H](C)C3)n2)o1 12182751 JSAORACYWMJIDC-RYUDHWBXSA-N 346.387 1.030 0 40 EDAB O=C1COc2ccc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@@H]3C4)cc2N1 12375199 VWYBMNCJNPYZKN-QJPTWQEYSA-N 336.413 1.732 0 40 EDAB Cn1ccc(CN2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)cc1=O 1888849566 YDDMAVXYUYYTSC-HOTGVXAUSA-N 337.379 1.007 0 40 EDAB Cn1cnc2c(N3CCC[C@H](C(=O)N4CCSCC4)C3)ncnc21 1888854244 NOTSDHPVJFGNJT-LBPRGKRZSA-N 346.460 1.155 0 40 EDAB Cc1cnc(N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)nc1 1888899361 IERWGBMVLHBOPV-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB Cc1nc(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)co1 1888900919 WTYTVMXHPZWJQV-UHFFFAOYSA-N 339.403 1.780 0 40 EDAB Cc1cc(N2CCO[C@H](C(=O)N3CCCCC3)C2)nc(C2CC2)n1 1888900978 RUAWNMYOKANROQ-HNNXBMFYSA-N 330.432 1.880 0 40 EDAB Cc1cc2ncnc(N3CCN(c4ncnc5ncn(C)c45)CC3)c2[nH]1 1888914148 XPHGNNMWQTWQER-UHFFFAOYSA-N 349.402 1.270 0 40 EDAB COC(C)(C)C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1143319659 SOZWDUUYYVJSSD-UHFFFAOYSA-N 346.427 1.836 0 40 EDAB CCOc1ccc2nnc(CNC(=O)c3cnc4ccccc4n3)n2n1 245131220 VJPOERSAFBIZGP-UHFFFAOYSA-N 349.354 1.396 0 40 EDAB Cc1cccnc1C(=O)N1CC[C@]2(COCC(=O)N(C(C)C)C2)C1 2037984598 GRVUDDKXMHIGLB-SFHVURJKSA-N 331.416 1.490 0 40 EDAB O=C([C@@H]1CCC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1)N1CCCC1 1565548626 GNSHNGZZAJRVIL-NCOADZHNSA-N 346.471 1.910 0 40 EDAB CC[C@@H](C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713819 OJKZJEQXAUOZFP-ZIAGYGMSSA-N 332.448 1.844 0 40 EDAB CC(C)NC(=O)[C@H]1CCc2c(C(=O)Nc3cccnc3)ncn2C1 2055714475 BGGKJITTWLDMQB-LBPRGKRZSA-N 327.388 1.617 0 40 EDAB O=C(CN1CCO[C@H](C(=O)N2CCCCC2)C1)Nc1ccc(F)cc1 2086867289 FTOPFITUOXXMBX-INIZCTEOSA-N 349.406 1.478 0 40 EDAB CN1C[C@H](CN2CCC(O)(c3ccc(Cl)cc3)CC2)OCC1=O 2298028265 LSUGNTRGJSQJIY-OAHLLOKOSA-N 338.835 1.481 0 40 EDAB CC(C)N1C[C@H](C(=O)NCCCN(C)Cc2ccccc2)CC1=O 40073825 ATDIHFRDFHUKFH-QGZVFWFLSA-N 331.460 1.882 0 40 EDAB Cc1ncc2c(n1)CC[C@H](NC(=O)c1cn(Cc3ccccc3)nn1)C2 30784115 PDRYHIZQCIHAQW-INIZCTEOSA-N 348.410 1.712 0 40 EDAB CC[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1OC 40539916 AYLNEUYPMCPKKD-DGCLKSJQSA-N 326.418 1.633 0 40 EDAB Cn1nc(C(=O)NCCn2cccn2)cc1NC(=O)c1cccs1 40746060 KZQQHRSXYLEYIC-UHFFFAOYSA-N 344.400 1.360 0 40 EDAB C=CC(=O)Nc1ccc(C(=O)OCC(=O)NC2(C#N)CCCC2)cc1 51629438 ZJCJCOGCFPRAGB-UHFFFAOYSA-N 341.367 1.920 0 40 EDAB O=C1CCc2cc(C(=O)Nn3cnc4ccccc4c3=O)ccc2N1 32841367 ZQFXVVLAMGWTTL-UHFFFAOYSA-N 334.335 1.665 0 40 EDAB Cc1cccc(C)c1N1C(=O)C[C@H](N2CCC[C@H](C(N)=O)C2)C1=O 102528427 SLWHWXFYLZLBNZ-KBPBESRZSA-N 329.400 1.133 0 40 EDAB C[C@]1(NC(=S)Nc2ccc3c(c2)OCCO3)CCS(=O)(=O)C1 53579007 XWQDFNVECRIDJL-AWEZNQCLSA-N 342.442 1.321 0 40 EDAB Cc1cc(CN2CCN(C(=O)NC[C@@H]3CCN(C4CC4)C3)CC2)on1 79459860 UXBKDVWLVNBVTG-HNNXBMFYSA-N 347.463 1.295 0 40 EDAB CCCCNC(=S)N1CCN(S(=O)(=O)c2ccccc2)CC1 2644537 HDGQDJJGOLCEIS-UHFFFAOYSA-N 341.502 1.668 0 40 EDAB CSc1cccc(-n2nnc(C(=O)NC[C@H]3CCCO3)c2N)c1 4985106 KXTSTISQZLRSOW-LLVKDONJSA-N 333.417 1.480 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)Nc2c(C)nn(C)c2C)c1 6416004 WPBXXESCXWXTJK-UHFFFAOYSA-N 325.390 1.855 0 40 EDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccc[nH]1 7737408 WWDGYNSIDSBUGM-GDNBJRDFSA-N 337.339 1.734 0 40 EDAB Cc1c(C(=O)NC2=NCCS2)sc2nc3n(c(=O)c12)CCC3 12567111 JNDZWIWMNIEWRK-UHFFFAOYSA-N 334.426 1.545 0 40 EDAB COC(=O)[C@H](C)CN(C)C(=O)Nc1cccn(CC(F)(F)F)c1=O 95446558 GVYKQDVPKCJSLJ-SECBINFHSA-N 349.309 1.683 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1C1CC1 8504174 DICPAMJCKYUIII-SECBINFHSA-N 336.421 1.803 0 40 EDAB CO[C@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 25247964 QVSNGIQCAWRXEJ-OAHLLOKOSA-N 349.412 1.843 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc3C2)cc1 106929508 JEWVQIRHIHBOLS-UHFFFAOYSA-N 330.409 1.923 0 40 EDAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2nnn(CC)n2)c1 57316643 KNEWILZMLJHBPB-JTQLQIEISA-N 348.432 1.997 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCN(c2nccs2)CC1)C1CCCC1 43779447 LESIQHBRESHQON-CQSZACIVSA-N 336.461 1.487 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 107581395 YPUHDGQCGGALTE-RRFJBIMHSA-N 332.448 1.471 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)NCCC(=O)NC1CCCCC1 57168927 DTRJELQBOCOGDO-HNNXBMFYSA-N 347.463 1.936 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)n1 57253858 ILTHFICCISLNFY-OAHLLOKOSA-N 340.383 1.138 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c[nH]1 95446876 RFLHGONOEZMPDN-AWEZNQCLSA-N 343.358 1.748 0 40 EDAB COC(=O)[C@H]1C(=O)c2c([nH]c(C(=O)OC[C@H]3CCCO3)c2C)C[C@@H]1C 104270355 ONXLEUZXCQNZNJ-UFGOTCBOSA-N 349.383 1.823 0 40 EDAB Cc1ccccc1CN1CCCN(C(=O)Cn2cccnc2=O)CC1 27390577 MTWTXRCAYZHGQI-UHFFFAOYSA-N 340.427 1.286 0 40 EDAB Cc1nc(CN(C)[C@@H]2CCN(Cc3cccc(C(N)=O)c3)C2)no1 95402246 TWDMJDXZFPXQPH-OAHLLOKOSA-N 329.404 1.183 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1Cc1nc(COc2ccc(F)cc2)no1 12756832 CUXYWVAHFQIPBG-CQSZACIVSA-N 348.378 1.840 0 40 EDAB Cc1ccc(C)n1CCN1CCN(S(=O)(=O)N(C)C(C)C)CC1 58266260 PVMWKRPXNKAFLP-UHFFFAOYSA-N 342.509 1.308 0 40 EDAB Cc1ccc(OC[C@@H](O)Cn2nnc(-c3cccnc3)n2)c(C)c1 58268558 BQNMMMKOTUNJHV-HNNXBMFYSA-N 325.372 1.792 0 40 EDAB COc1ccc(O)c(C(=O)c2cnn([C@H]3CCS(=O)(=O)C3)c2)c1 58289462 MDTWLPUXWODLRX-NSHDSACASA-N 336.369 1.188 0 40 EDAB COc1ccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2F)cn1 44908660 WSRXRURXOYDZJT-ZDUSSCGKSA-N 332.335 1.968 0 40 EDAB O=C(NCc1ccc(N2CCCCC2)nc1)N[C@@H]1CCCCNC1=O 44968052 KWVWCWAWGHFUQO-OAHLLOKOSA-N 345.447 1.540 0 40 EDAB CN1N=C(C(=O)Nc2ccnn2CCc2ccccc2)CCC1=O 58322922 WQSJXYCMDXSFBO-UHFFFAOYSA-N 325.372 1.673 0 40 EDAB O=C(CNC(=O)CC1CCCCC1)NCCC(=O)Nc1ccccn1 58323769 TUIVCHIPRPVRKS-UHFFFAOYSA-N 346.431 1.613 0 40 EDAB Cn1ccnc1[C@](O)(CCNC(=O)c1cccnc1)C(F)(F)F 58325708 BDTASBWAADWKJU-CYBMUJFWSA-N 328.294 1.385 0 40 EDAB CNC(=O)COc1ccc(CNCc2c(C)nn(C)c2N(C)C)cc1 58415092 APBFNTBZGWZJTM-UHFFFAOYSA-N 345.447 1.209 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)NO[C@H]2CCCCO2)cc1 58419309 RPWFHTMYBADFKF-ZDUSSCGKSA-N 328.390 1.125 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCCn1ccnc1 100217239 YPOLZAFFZDWUDM-SUNYJGFJSA-N 338.367 1.087 0 40 EDAB O=C(O)CCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 2439338 QNDKSKPSEAFZIH-UHFFFAOYSA-N 331.324 1.251 0 40 EDAB COc1ncccc1CNC(=O)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 45965414 WSSAGZKMZYEYAT-IYBDPMFKSA-N 349.431 1.960 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)no1 2660130 DWDCAXPWJWVJCS-MRXNPFEDSA-N 328.328 1.389 0 40 EDAB C[C@H](CNC(=O)CC[C@H]1Cc2ccccc2NC1=O)N1CCOCC1 29962065 VICYEVQTDLZSLB-ZBFHGGJFSA-N 345.443 1.415 0 40 EDAB CCCc1ccc(N2C[C@@H](C(=O)NCCNC(C)=O)CC2=O)cc1 65402206 PNTNRJHSPDCNBL-HNNXBMFYSA-N 331.416 1.244 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccco1 46945987 OQUZWWWPDVXTDQ-CQSZACIVSA-N 342.399 1.662 0 40 EDAB O=C(c1ccccn1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 3477507 MTLPBYZELQOPIF-UHFFFAOYSA-N 349.387 1.367 0 40 EDAB Cc1ccccc1/C=C/C(=O)N1CCN(CC(=O)N2CCCC2)CC1 12909302 FGXRQQQTOGUBDU-CMDGGOBGSA-N 341.455 1.775 0 40 EDAB CCN(CCC(=O)O)C(=O)CCCn1c(C)nc2ccccc2c1=O 95424448 ABDWNYJNOFDPFR-UHFFFAOYSA-N 345.399 1.808 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN(Cc3cccc4c3OCCO4)C2)no1 95402245 QWFSRKOHDCDIFB-HNNXBMFYSA-N 344.415 1.856 0 40 EDAB O=C(O)C1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 13425654 GIPHRDYZLJSAHE-UHFFFAOYSA-N 330.384 1.679 0 40 EDAB CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4OC)C(=O)[C@H]13)O2 4042965 RKTXWYRYYFZZSC-PASDCYSWSA-N 343.379 1.935 0 40 EDAB biogenic C[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 96007766 QWTUNJXAEZOILD-GFCCVEGCSA-N 338.351 1.884 0 40 EDAB O=C(NCCc1nnc2n1CCC2)c1cc(Cl)c2c(c1)OCCO2 65440181 LSOJTLUPAMXMOP-UHFFFAOYSA-N 348.790 1.621 0 40 EDAB COc1ccccc1COC[C@H](O)CN1CCn2c(nc(C)c2C)C1 65474458 RNPKVPIIYUCERY-QGZVFWFLSA-N 345.443 1.902 0 40 EDAB COc1c(O)cc(C[C@]2(O)Oc3cc(O)cc(O)c3C2=O)cc1O 6483425 YCDTYNVODFTPCZ-INIZCTEOSA-N 334.280 1.024 0 40 EDAB biogenic COc1ccc(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 14251654 FEMQYSXQJPOEMH-UHFFFAOYSA-N 345.399 1.914 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(c2nccs2)CC1 14350647 LXBUKMOBUPRCAQ-UHFFFAOYSA-N 345.424 1.806 0 40 EDAB Cc1noc(C)c1CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 6627932 JZNSFRLZPCVWEP-QGZVFWFLSA-N 343.339 1.987 0 40 EDAB C[C@H](C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1)c1cnn(C)c1 95439924 PXJHOANDHZEBNI-JSGCOSHPSA-N 331.372 1.617 0 40 EDAB CCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl 4979501 CPYWIBMZNMFDMY-UHFFFAOYSA-N 348.808 1.482 0 40 EDAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)C3CC3)C2=O)cc1 7277814 SPQQWZHBXURROW-VOJFVSQTSA-N 345.399 1.377 0 40 EDAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H]2C[C@@H](C)OC2=O)cc1 7313688 FXVALHZKUIFILR-YPMHNXCESA-N 326.370 1.406 0 40 EDAB CCc1n[nH]c([C@H]2CN(Cc3nc4c(F)cccc4[nH]3)CCO2)n1 89289841 IWAWZTCUWDZGFF-GFCCVEGCSA-N 330.367 1.956 0 40 EDAB C[C@H](NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccco1 7801235 DORVVUMJQZRIDU-NSHDSACASA-N 334.376 1.216 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cccnc2N2CCCCC2)CC1 71871248 FAUYIKZQIOCLNL-HNNXBMFYSA-N 332.448 1.211 0 40 EDAB CCOc1ncccc1NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 71803744 FUCBBKXDEVNAEA-UHFFFAOYSA-N 327.344 1.306 0 40 EDAB NC(=O)[C@@H](NCCCS(=O)(=O)c1ccccc1)c1ccccc1 71834537 WWHJRGZQTZMKQW-INIZCTEOSA-N 332.425 1.667 0 40 EDAB C[C@@H](CNC(=O)c1cc2ccccc2c(=O)[nH]1)CN1CCCC1=O 71833123 RDOWKCNMNQZGEG-LBPRGKRZSA-N 327.384 1.516 0 40 EDAB CC[C@H]1CCCCN1C(=O)[C@H](C)N(C)CC1CCN(CCO)CC1 71871540 HRFFHMMXXXXMIF-WMZOPIPTSA-N 339.524 1.802 0 40 EDAB COCCN1CCN(Cc2csc(-c3cnn(C)c3)n2)C[C@H]1C 70018417 RRYHOIDTQLBMPW-CYBMUJFWSA-N 335.477 1.696 0 40 EDAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCO[C@H](Cn2cccn2)C1 69392507 CMSOQKVNFYJEKT-KBPBESRZSA-N 333.392 1.298 0 40 EDAB O=C1COc2ccc(C(=O)N3CCC[C@@H](n4cccn4)C3)cc2N1 69371161 FRPIFOUYOXZQAN-CYBMUJFWSA-N 326.356 1.691 0 40 EDAB C[C@H](N[C@H](C)Cn1cccn1)C(=O)N[C@@H]1CCOc2ccccc21 69387246 LXQJTUDPSSDHPO-IJEWVQPXSA-N 328.416 1.890 0 40 EDAB CN(C)C(=O)NC[C@@H]1CO[C@@H]2CN(CCOCc3ccccc3)C[C@@H]21 306128476 HBEMCUFZDVOEQL-KZNAEPCWSA-N 347.459 1.421 0 40 EDAB O=C(c1cnc2sccn2c1=O)N1CCC[C@H](n2cccn2)C1 69418424 WTOYPMHLVXILLB-NSHDSACASA-N 329.385 1.430 0 40 EDAB Cc1cc(C)n(CCCNC(=O)Cc2ccc(-n3cnnn3)cc2)n1 28236585 SSPBUNIVFMLYQO-UHFFFAOYSA-N 339.403 1.225 0 40 EDAB O=C(NCCc1nc2c(s1)CCCC2)[C@@H]1CC(=O)N(CC2CC2)C1 69580564 DFKGJEDYHIOLKO-CYBMUJFWSA-N 347.484 1.939 0 40 EDAB NC(=O)[C@H]1COCCN1C(=O)c1cccc(Oc2ccccc2)c1 91785122 IETQXUFZOWBNDQ-MRXNPFEDSA-N 326.352 1.805 0 40 EDAB Cc1cc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n2ncnc2n1 69698088 VHFIKDURXBPECF-CQSZACIVSA-N 326.408 1.558 0 40 EDAB O=C(NCCNC(=O)c1nccn2ccnc12)c1ccc(Cl)cc1 71921250 UFEATNCKZYKQGH-UHFFFAOYSA-N 343.774 1.543 0 40 EDAB O=C1CC[C@H](NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CN1 71909476 UZQSSBAYZIMVLO-NSHDSACASA-N 336.335 1.403 0 40 EDAB C[C@H](NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)N(C)C 71921669 KFDFFWUTWGGQFL-LURJTMIESA-N 340.232 1.331 0 40 EDAB CC(C)CCNS(=O)(=O)c1ccc(N2CCC[C@H](CO)C2)nc1 69777081 WHHANWRMNHXPRK-AWEZNQCLSA-N 341.477 1.615 0 40 EDAB CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)cc1 69744154 MMIHYNNWOFSMIV-OAHLLOKOSA-N 347.440 1.982 0 40 EDAB CN(CC(=O)Nc1ncn(Cc2ccccn2)n1)C(=O)OC(C)(C)C 69899767 TYHZJVRSBIPGDX-UHFFFAOYSA-N 346.391 1.527 0 40 EDAB O=C(CC1CCCC1)N1CCCN(C(=O)NC[C@H]2CCCO2)CC1 69814320 PYSUCGVVTQCSSJ-MRXNPFEDSA-N 337.464 1.990 0 40 EDAB O=C(NCc1ccccc1CO)C(=O)Nc1ccc2ncccc2c1 69813866 MPZFBMKYTHVYSW-UHFFFAOYSA-N 335.363 1.982 0 40 EDAB COC(=O)c1ccoc1COC(=O)c1ccccc1S(C)(=O)=O 24038317 YUMMIRKEPDZIBO-UHFFFAOYSA-N 338.337 1.827 0 40 EDAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccn1 8747660 JBBXEVUXCZNCII-UHFFFAOYSA-N 340.427 1.989 0 40 EDAB C[C@H]1Sc2ccc(C(=O)NCC(=O)NC(C)(C)C)cc2NC1=O 9689776 FFIGQIDGCSTFSU-SECBINFHSA-N 335.429 1.764 0 40 EDAB COc1c([C@H]2CCCN2C(=O)c2cc(C(N)=O)cs2)c(C)nn1C 72234418 SAEBYRXYYJQXIC-LLVKDONJSA-N 348.428 1.875 0 40 EDAB O=C(NCc1nc(C2CC2)no1)C(=O)Nc1ccc(F)c(Cl)c1 72291092 AIMHGXLOMYNNEH-UHFFFAOYSA-N 338.726 1.994 0 40 EDAB CC(C)n1cc2cc(NC(=O)Cn3ccc(=O)n(C)c3=O)ccc2n1 72288148 PDSDMUVSJACSMQ-UHFFFAOYSA-N 341.371 1.116 0 40 EDAB CCN(CC)C[C@@H]1CCCC[C@H]1NCCn1nc2ccccn2c1=O 97164313 LZRDGHDOXRVXKN-DLBZAZTESA-N 345.491 1.986 0 40 EDAB C[C@H](O)[C@H]1CCN(C(=O)NCCc2ccc(Br)o2)C1 97108049 JFKFJJFUPLIPML-UWVGGRQHSA-N 331.210 1.997 0 40 EDAB O=C(C[C@H]1OCCc2ccsc21)NS(=O)(=O)N1CCCCC1 95947702 JEOBATOQIBMMPV-GFCCVEGCSA-N 344.458 1.599 0 40 EDAB Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccncc4)[C@H]3C2)o1 306142485 XAMLIXNHCSBRGO-CGTJXYLNSA-N 341.411 1.860 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N1CCCC[C@@H]1CN1CCOCC1 75146778 ARGAZUYUOQXDGJ-JKSUJKDBSA-N 335.452 1.168 0 40 EDAB Cc1cnn(-c2ccc(S(=O)(=O)Nc3ccn(C)n3)cc2F)c1 89702530 ROBFJWNNYBPLCX-UHFFFAOYSA-N 335.364 1.854 0 40 EDAB O=C(NCCCN1CCCC1)N[C@@H]1CC(=O)N(C2CCCCC2)C1 89818371 COZFZRZSSVDLBM-OAHLLOKOSA-N 336.480 1.705 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 89904238 UGUYXLFFIFXOBB-WMLDXEAASA-N 342.395 1.754 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H]3Cc4ccccc4S3)CCO2)n1 76045192 LSHZURFBYWNERY-GXTWGEPZSA-N 330.413 1.730 0 40 EDAB Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(F)cc2)c1 408552306 LPFHIXAGRIMAHO-UHFFFAOYSA-N 329.331 1.828 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CC[C@@H](Oc2cccnn2)C1 225412549 WDUAXELUUBKCAH-IUODEOHRSA-N 327.340 1.296 0 40 EDAB O=C(O)[C@@H](Cc1c[nH]c2ncccc12)NS(=O)(=O)c1ccoc1 551911011 VXZUYWXVGUWUOZ-GFCCVEGCSA-N 335.341 1.130 0 40 EDAB COc1cc(CNCCN)ccc1OCC(=O)Nc1ccccc1 36611773 MCQLZJDTHKEJKZ-UHFFFAOYSA-N 329.400 1.761 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)N2CCS(=O)(=O)C[C@H]2C)c1 73891348 TVHYUDJVJRHPNG-CYBMUJFWSA-N 333.413 1.440 0 40 EDAB CCO[C@H](C)c1noc(CN(C)Cc2cc(=O)n3ccccc3n2)n1 72762202 VJAFFVNRPPVTHN-GFCCVEGCSA-N 343.387 1.807 0 40 EDAB Cc1cnc(NC(=O)CN2CCC(O)(c3ccccn3)CC2)s1 72342271 XFTOSZGBCMYSNO-UHFFFAOYSA-N 332.429 1.769 0 40 EDAB CO[C@]1(C)C[C@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1(C)C 74943675 LFANRMHCNVNUHT-WMLDXEAASA-N 336.436 1.705 0 40 EDAB O=C(c1ccc2nn[nH]c2n1)N1CC[C@@]2(CCc3ccccc3O2)C1 568855134 TUCXMWOMJGSOHG-SFHVURJKSA-N 335.367 1.963 0 40 EDAB CNC(=O)c1cn[nH]c1C1(C)CCN(C(=O)c2ccncc2)CC1 72388896 QCIWHWCVROYXJG-UHFFFAOYSA-N 327.388 1.358 0 40 EDAB Cc1sc(=O)n(CCC(=O)NC[C@@H](O)c2ccsc2)c1C 77616017 VURMZIIMBKRASH-GFCCVEGCSA-N 326.443 1.828 0 40 EDAB Cc1nc(C(C)(C)NS(=O)(=O)c2csc(C(=O)O)c2)no1 569100871 SZGZSHVKAXFDBM-UHFFFAOYSA-N 331.375 1.351 0 40 EDAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCCC1 217466575 XDVAKTLXRYJQTI-UHFFFAOYSA-N 342.417 1.300 0 40 EDAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C 223695643 AYAQOQLUGKFODN-JKSUJKDBSA-N 344.440 1.956 0 40 EDAB Cc1cccc(S(=O)(=O)Nc2ccc(-n3nn[nH]c3=O)cc2)c1F 195505589 HIIYSWZTEHUZHG-UHFFFAOYSA-N 349.347 1.204 0 40 EDAB CCn1nc(C)c(S(=O)(=O)NCCc2nnc3ccccn23)c1C 81063809 UNUJLUMTTORJIT-UHFFFAOYSA-N 348.432 1.084 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 222421999 CZCGFUUYBSKBGL-UWWPHRKUSA-N 344.386 1.997 0 40 EDAB CSc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1NC(C)=O 224983786 DLVGFGGICKXXHX-NSHDSACASA-N 344.458 1.824 0 40 EDAB CC(C)Nc1nc2c(c(N(C)C)n1)CCN(Cc1nccn1C)CC2 96254603 UAOXPGDXBZGVAY-UHFFFAOYSA-N 343.479 1.697 0 40 EDAB Cc1cccc(CN2CC3(CCN(C(=O)N(C)C)CC3)OCC2=O)n1 96201467 IUOAUBMKXMFFEQ-UHFFFAOYSA-N 346.431 1.265 0 40 EDAB O=C(NC[C@H]1OC[C@@H]2CCN(c3ccccn3)C[C@H]12)c1ccco1 96185474 MAOFYLXHOTWPPQ-OFQRWUPVSA-N 327.384 1.946 0 40 EDAB O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)N1CCC[C@@H](OC2CCC2)C1 585090924 ANJQEPZDZTYPOL-OAGGEKHMSA-N 335.448 1.883 0 40 EDAB O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)N1CCC[C@@H](OC2CCC2)C1 585090923 ANJQEPZDZTYPOL-BZUAXINKSA-N 335.448 1.883 0 40 EDAB CS(=O)(=O)N1CCC[C@H](Cn2cnc3sccc3c2=O)C1 96461133 YCMXZDYXNNEQCA-SNVBAGLBSA-N 327.431 1.130 0 40 EDAB Cc1cccc(C(=O)N2C[C@@H](c3nc(C)no3)C[C@H]3OCC[C@H]32)n1 96041223 NXDGYQWDAFVTCH-NWANDNLSSA-N 328.372 1.869 0 40 EDAB NC(=O)[C@@H]1CCCN(Cc2cccc(CN[C@@H]3CCSC3)c2)C1 96477356 HLJKGWALGYUKPT-IAGOWNOFSA-N 333.501 1.979 0 40 EDAB CCOc1cc(/C=C2\NC(=O)NC2=O)c(Br)cc1O 95482948 FWAITIQLQYYZFN-BAQGIRSFSA-N 327.134 1.734 0 40 EDAB Cn1nnc2cc(C(=O)N3C[C@@H](N)CC[C@@H]3C(F)(F)F)ccc21 583619763 DRIHWSJKKSBHAV-JOYOIKCWSA-N 327.310 1.463 0 40 EDAB O=C(NC1CCC1)[C@H]1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@H]1O2 96100409 IJEMBPXPQKNOLW-OWCLPIDISA-N 329.400 1.977 0 40 EDAB C[C@H]1c2ncc(COCc3ccccn3)n2CCN1C(=O)CN(C)C 96206355 RIJNLPRSHPKYOO-AWEZNQCLSA-N 343.431 1.460 0 40 EDAB NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccccc1Cl 96462467 APKCVEFBOFZGOY-AAEUAGOBSA-N 330.837 1.804 0 40 EDAB CCc1ocnc1C(=O)NCC(C)(C)CNC(=O)c1ncoc1CC 96417037 YXPZNWUIJAGZGY-UHFFFAOYSA-N 348.403 1.973 0 40 EDAB CNS(=O)(=O)c1csc(C(=O)NC[C@@H]2Cc3ccccc32)c1 96451186 KZHQLXPAZMDPEC-NSHDSACASA-N 336.438 1.726 0 40 EDAB O=C(NC1CC1)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 96230238 ZKFFCVCOSMZETA-UHFFFAOYSA-N 342.443 1.325 0 40 EDAB Cc1ccc(C(=O)CCN2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1 97099192 DPJJEZAILKETGO-INIZCTEOSA-N 338.473 1.970 0 40 EDAB COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc(CO)on1 585135305 ATUBXUXIRJTSDV-CQSZACIVSA-N 346.383 1.997 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1 585114558 JMEYIAJTHVOXBR-OAHLLOKOSA-N 336.457 1.920 0 40 EDAB O=C(NCc1ccc(N=c2cc[nH]cc2)cc1)[C@@H]1CCS(=O)(=O)C1 585128227 WMJVXFFXVVBEGO-CQSZACIVSA-N 345.424 1.298 0 40 EDAB CCOC(=O)c1n[nH]c([C@H](C)NS(=O)(=O)c2ccc(C)cc2)n1 585115098 MLABVERTZPBUKA-JTQLQIEISA-N 338.389 1.329 0 40 EDAB Cc1nc(CO[C@@H]2CO[C@@]3(CCN(C(=O)CN(C)C)C3)C2)cs1 96209458 OVIUWOJFLJNDPF-HOCLYGCPSA-N 339.461 1.290 0 40 EDAB O=C(c1ccsc1)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 96202320 FWMIBXPDCGVSHM-QGZVFWFLSA-N 344.440 1.907 0 40 EDAB CN1C(=O)C[C@@H](c2ccncc2)C12CCN(S(=O)(=O)C1CC1)CC2 96261239 GRZMACWAWQFAQP-HNNXBMFYSA-N 349.456 1.354 0 40 EDAB CC(C)(C)CN(CCO)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 96461860 NRPSMHURAJFSDO-CYBMUJFWSA-N 338.427 1.849 0 40 EDAB CN(CC(=O)N1CCC[C@@H](c2cnccn2)C1)Cc1cccnc1 257321255 WAWBWLSASAONIP-MRXNPFEDSA-N 325.416 1.710 0 40 EDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1cc(C)cn1 257267383 MHBIMSJDIJBCTM-UIBIWLFHSA-N 330.432 1.582 0 40 EDAB COc1ccc(Cn2cc(NC(=O)N3CCNC(=O)[C@H]3C)cn2)cc1 252481598 COYNZEMGLMENJR-GFCCVEGCSA-N 343.387 1.292 0 40 EDAB Cc1cc([C@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)nc(C)n1 257256133 KKFRHLFPYSTLTF-CQSZACIVSA-N 330.392 1.020 0 40 EDAB COc1ccccc1[C@H]1CNCCN1C(=O)CCn1nccc1C 257340372 ZFSMWBYRPZPPLO-MRXNPFEDSA-N 328.416 1.763 0 40 EDAB Cc1noc(C)c1C(=O)N1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1 257330018 XMKUWLYGCKRNJC-ZIAGYGMSSA-N 346.339 1.254 0 40 EDAB CN(C)C(=O)CN1CCN(Cc2cc(F)cc3cccnc23)CC1 25925269 XWTWFKPIIWTAKH-UHFFFAOYSA-N 330.407 1.580 0 40 EDAB Cc1ccc(C(=O)NCCS(=O)(=O)CCc2ccccc2)cn1 252501129 UCUMMHMOECYZNV-UHFFFAOYSA-N 332.425 1.777 0 40 EDAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCN(C(=O)C3CCOCC3)C2)n1 257290033 QBGSLGWNHVOJCD-CQSZACIVSA-N 341.415 1.918 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)c3ccccc3C)CC2)OC[C@]1(C)O 257247773 JAKOXQRDZRJBEG-WMZOPIPTSA-N 332.444 1.729 0 40 EDAB O=C(O)Cc1ccc(O[C@@H]2CN(Cc3ccccc3)C[C@H]2O)cc1 257245150 IOGDRXKMTOILAS-QZTJIDSGSA-N 327.380 1.938 0 40 EDAB CN1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 604381796 OURCUAXJIUKIOX-OAHLLOKOSA-N 335.835 1.181 0 40 EDAB biogenic,in-vitro CN1C(=O)COC12CCN(C(=O)c1cc(-c3ccco3)on1)CC2 1615593168 ZDDYCLVPCGIVNJ-UHFFFAOYSA-N 331.328 1.356 0 40 EDAB CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@](C)(N(C)C)C2)cc1 1615588456 QFKCWFPTZHSGQX-AEFFLSMTSA-N 335.448 1.411 0 40 EDAB CCc1cnc(N2CCN(c3ncnc4c3cnn4C)CC2)s1 608091402 ZITLZAAUXFZZTQ-UHFFFAOYSA-N 329.433 1.709 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1 575405073 RJJMRQZBLLDHBR-CQSZACIVSA-N 345.443 1.563 0 40 EDAB O=C(c1ncccn1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 575414900 PJKOAZBNQXJWPD-CQSZACIVSA-N 349.387 1.618 0 40 EDAB Cc1cc(Br)ccc1S(=O)(=O)N(CCO)C1CC1 133362147 NWHFCQVECKBOEJ-UHFFFAOYSA-N 334.235 1.903 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)[C@H](C)Oc3ccccc3)C2)n1 1775985953 KNIMCBOGZXXFJQ-AWEZNQCLSA-N 327.384 1.478 0 40 EDAB CN(CCCNC(=O)N[C@H]1CCc2ccccc21)S(C)(=O)=O 48274202 UVXPMIKCGGXMDC-AWEZNQCLSA-N 325.434 1.255 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 40467524 AMHCMIDRVVDUPP-AWEZNQCLSA-N 341.477 1.344 0 40 EDAB CN1CCC(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 61031464 YPFLBWIBASDILG-UHFFFAOYSA-N 347.503 1.920 0 40 EDAB CC(=O)N[C@@H]1CCOC2(CCN(C3CCN(C(C)=O)CC3)CC2)C1 1615155162 OQLSEAOTKBJXOT-MRXNPFEDSA-N 337.464 1.147 0 40 EDAB CC(C)CNC(=O)[C@@]1(Cc2cc([C@H]3CCOC3)no2)CCCNC1 12220155 FXTKSEXHGARECT-KBXCAEBGSA-N 335.448 1.863 0 40 EDAB CC(C)OCCCNC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 16575543 MVVHEGMHYTXGJD-UHFFFAOYSA-N 346.424 1.378 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(-c2cccs2)o1 16847895 BLOVAZCBBDYQFU-QMMMGPOBSA-N 342.402 1.161 0 40 EDAB NS(=O)(=O)c1ccc(CCC(=O)N2CCc3ccccc3C2)cc1 17321961 LZQVZZXGCUZOJS-UHFFFAOYSA-N 344.436 1.852 0 40 EDAB CN(C)CCN(C(=S)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 18164123 XUJABXAITDHVGQ-AWEZNQCLSA-N 341.502 1.434 0 40 EDAB COc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 19170251 FSPODSIIJGVTOR-UHFFFAOYSA-N 334.397 1.914 0 40 EDAB CC(C)c1nc(N2CCN(C(=O)c3cc[nH]n3)CC2)nc(O)c1F 1888855861 SYAKNBSVBUSGFN-UHFFFAOYSA-N 334.355 1.130 0 40 EDAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(C)Cc1cnn(C)c1)C2=O 24481889 BZAJOHGBFFTTEL-GFCCVEGCSA-N 340.383 1.372 0 40 EDAB Cc1noc([C@H]2CCC3(CCN(C(=O)[C@H]4[C@H]5COC[C@H]54)CC3)O2)n1 1565542927 ITOAYVDNBDVXFG-XJFOESAGSA-N 333.388 1.483 0 40 EDAB CC(C)N(C)CC(=O)N1CCC2(CC1)c1ncccc1C(=O)N2C 1565554035 POJKEZRQVFPXNC-UHFFFAOYSA-N 330.432 1.325 0 40 EDAB O=C(c1cc(Br)cs1)N1CC(Cn2cncn2)C1 1565519927 VEOJCQTULMWTNM-UHFFFAOYSA-N 327.207 1.874 0 40 EDAB CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1cccc2ccccc12 4107547 FBOPYEBTQPJQJA-MRXNPFEDSA-N 348.424 1.718 0 40 EDAB O=C(Cc1cccc2ccccc12)N1CC(CN2C(=O)COC2=O)C1 575616361 LVMLVBUKUVRWOF-UHFFFAOYSA-N 338.363 1.820 0 40 EDAB CSc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H](C)O)C3)cc1 12347156 WKPQIUYPSGJBME-LKFCYVNXSA-N 333.413 1.240 0 40 EDAB CC(=O)N1CCC(CNC(=O)N[C@H]2c3ccccc3C[C@@H]2O)CC1 105314029 GKVCTFCHSRMKET-IRXDYDNUSA-N 331.416 1.202 0 40 EDAB CNC(=O)c1cc(C(=O)Cn2cnc3sccc3c2=O)cn1C 31838761 NPBMHIVTIBKHEV-UHFFFAOYSA-N 330.369 1.039 0 40 EDAB CS[C@@H](C)C(=O)N1CCN(c2ncc(Br)cn2)CC1 40525157 UYPXIRKPJZJSCK-VIFPVBQESA-N 345.266 1.639 0 40 EDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCC(=O)N1CCOCC1 40536496 JGPCFLZJNKULCH-OAHLLOKOSA-N 343.431 1.509 0 40 EDAB Cc1csc(=O)n1CC(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 21058209 ABBJQHJBVUSIJR-BETUJISGSA-N 341.477 1.222 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1 363009 SFIWIEFIJQKWQZ-UHFFFAOYSA-N 335.161 1.234 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102675383 LYAVVQRQCVVAAD-YDHLFZDLSA-N 334.441 1.765 0 40 EDAB COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 540622 WLPHFAWNPAPAMW-JTQLQIEISA-N 341.371 1.220 0 40 EDAB CCN(C(=O)c1cc(F)ccc1Br)[C@@H]1CC(=O)NC1=O 103386156 PXRRMMRCYYRRPV-SNVBAGLBSA-N 343.152 1.465 0 40 EDAB CCc1cc(NC(=O)C(=O)NC[C@H]2CCc3ccccc3C2)n(C)n1 95399158 VQYBKSMYCSNXHR-ZDUSSCGKSA-N 340.427 1.842 0 40 EDAB Cc1nc(N2CCN(Cc3cc(C)on3)CC2)c2cnn(C)c2n1 54043966 ZZIHESFGVZFVHB-UHFFFAOYSA-N 327.392 1.290 0 40 EDAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c1 79021050 LCDDCPVNZMUNEJ-UHFFFAOYSA-N 346.368 1.854 0 40 EDAB Cc1cccc(OCCN(C)[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)c1 42532817 JLBDXBYALRMSMT-CVEARBPZSA-N 347.459 1.418 0 40 EDAB C[C@H](NC(=O)c1cccnc1-n1cncn1)c1ccc2c(c1)OCO2 42655588 UQQRRGNJAGQQJF-NSHDSACASA-N 337.339 1.882 0 40 EDAB CC(C)[C@@H](NC(=O)CCn1cncn1)c1ccc2c(c1)OCCO2 54515982 RREIIVAVRIEBNN-QGZVFWFLSA-N 330.388 1.953 0 40 EDAB Cc1ccc([C@@H](CNc2nc(=O)c3cn[nH]c3[nH]2)N2CCOCC2)o1 106463292 LYWSSCBKJILQFO-GFCCVEGCSA-N 344.375 1.033 0 40 EDAB COCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 8223261 SNEXNELHTJPLKM-SNVBAGLBSA-N 334.825 1.160 0 40 EDAB CS(=O)(=O)NC1CCN(CC(=O)Nc2ccccc2Cl)CC1 8708814 FSPFDXLVPBEELS-UHFFFAOYSA-N 345.852 1.292 0 40 EDAB O=C(c1cnccn1)N1CCOC2(CCN(CC3CCC3)CC2)C1 107193251 ZIZVUZDYQMQHDW-UHFFFAOYSA-N 330.432 1.584 0 40 EDAB Cn1cc(S(=O)(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cn1 56137542 OBZXORDZQGLDRJ-HUUCEWRRSA-N 339.392 1.758 0 40 EDAB CC(=O)N1CCCN([C@H]2CN(CCn3nc(C)cc3C)C[C@H]2C)CC1 107323434 YTCBQMAOZHXQDI-BEFAXECRSA-N 347.507 1.374 0 40 EDAB CNC(=O)C1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1 43727480 SMNMAWWKVQVKNL-UHFFFAOYSA-N 345.321 1.621 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)N1C(=O)N[C@H](Cc2ccccc2)C1=O 1611206 DEAFEYNFQHJCBC-CVEARBPZSA-N 338.363 1.845 0 40 EDAB in-vitro CC(C)NC(=O)COC(=O)c1ccc(I)cc1 3294792 YSWHDCUWRWPAIZ-UHFFFAOYSA-N 347.152 1.973 0 40 EDAB NC(=O)c1cccnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 26714340 XYMFUGJCUZCVFI-UHFFFAOYSA-N 342.374 1.718 0 40 EDAB COCCNS(=O)(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 1921696 PBTDBTRIRUTUIV-UHFFFAOYSA-N 336.417 1.762 0 40 EDAB C[C@@]1(NC(=O)CN2CCC[C@@H]2c2ccccc2)CCS(=O)(=O)C1 10087299 PYQOZHHEGYSCFK-NVXWUHKLSA-N 336.457 1.517 0 40 EDAB CCn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2)n(C)c1=O 12647698 XSPHKPTZNBTNID-UHFFFAOYSA-N 345.790 1.722 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc2c(c1)OCCCO2 58146177 LJFPOZILGJIQPV-GFCCVEGCSA-N 333.388 1.980 0 40 EDAB C[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 48230671 JKMQESRWUJGUNX-NSHDSACASA-N 331.397 1.938 0 40 EDAB CCO[C@@H](C)C(=O)Nc1ccc2nc(CN3CCOCC3)[nH]c2c1 58293536 CTIKGVZWAVPESD-LBPRGKRZSA-N 332.404 1.759 0 40 EDAB NS(=O)(=O)Cc1ccc(C(=O)NCCCOc2ccccc2)cc1 58295093 MEVMCYDZUZGVKC-UHFFFAOYSA-N 348.424 1.674 0 40 EDAB C[C@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2)CC1)C1CC1 24248861 VBVSLIZTWRWVBG-HNNXBMFYSA-N 344.459 1.157 0 40 EDAB CCCc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)Nc3cc(C)no3)CCO2)n1 76049061 JXLZHRWOZKHSSH-RYUDHWBXSA-N 348.407 1.454 0 40 EDAB O=C(c1cnccn1)N1CCOC2(CCN(CC3CCCC3)CC2)C1 107193255 GBXRPKMMBBPEHT-UHFFFAOYSA-N 344.459 1.974 0 40 EDAB COc1ccccc1C(=O)NCCCn1ncc2c1c(C)nn2C 57279683 RUSLHSJDQNXZIA-UHFFFAOYSA-N 327.388 1.907 0 40 EDAB COC(=O)c1ccccc1N(C)C(=O)COC(=O)c1c(C)noc1C 29405825 GKTVZGDQFQWEJO-UHFFFAOYSA-N 346.339 1.898 0 40 EDAB CCCc1noc([C@H](C)S(=O)(=O)Cc2nc(C3CC3)no2)n1 46174134 MJUSKDMLTHBYPI-QMMMGPOBSA-N 326.378 1.959 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 29679678 FLEGEOZIMNJPJO-JHJVBQTASA-N 326.437 1.585 0 40 EDAB CC(C)CN1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CC1=O 29783121 PXCLBBZJLDQZNR-ZDUSSCGKSA-N 336.461 1.296 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)N1CCO[C@@H]2CCCC[C@@H]21 46493830 OHNLCVWUTVJRNW-FUHWJXTLSA-N 341.411 1.957 0 40 EDAB COC(=O)c1ccc([C@H]2[C@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 20113195 YRDBVESBSOGABM-SFNKJDCFSA-N 346.379 1.691 0 40 EDAB COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1Cl 38556538 BGFZJPYKQXTISW-UHFFFAOYSA-N 348.852 1.349 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 408736401 BPVIASGOKGBBOC-UKRRQHHQSA-N 327.340 1.654 0 40 EDAB O=C(NCCc1nnc2n1CCC2)NC[C@@H]1COc2ccccc2C1 95409917 BPJPQNYVPKKSIV-CYBMUJFWSA-N 341.415 1.317 0 40 EDAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NCc1cccnc1 49544060 HLENKFMOJBTLKX-UHFFFAOYSA-N 329.404 1.806 0 40 EDAB CCOC(=O)CN(CCOC)CC(=O)NCc1ccc(C)c(F)c1 64509068 GAVFTJYCWOXGNU-UHFFFAOYSA-N 340.395 1.262 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)OC[C@@H]1CCCCO1 65592111 OEZGKUISVWZMQU-PVAVHDDUSA-N 349.427 1.861 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 14115286 REYHRLKXSNEKHI-INIZCTEOSA-N 331.303 1.824 0 40 EDAB O=C([C@H]1CCCN(c2ncnc3ccsc23)C1)N1CCOCC1 14331277 HGCIINJJWZBTKH-LBPRGKRZSA-N 332.429 1.767 0 40 EDAB CC(C)(CNC(=O)CN1CCOCC1)N1CCc2ccccc2C1 95451470 NTCDTJOXKKXJRN-UHFFFAOYSA-N 331.460 1.272 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2Cl)NC(=O)N1 5785994 BRMSFCKCNVYUHF-CQSZACIVSA-N 335.791 1.827 0 40 EDAB C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1cccc(-n2cccn2)c1 73205569 JPUONDGVNZVCQR-UONOGXRCSA-N 347.440 1.874 0 40 EDAB CC1CCN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 7447030 IZDDDTZFBGGCRJ-UHFFFAOYSA-N 339.461 1.607 0 40 EDAB CCCn1nnnc1CN1CCC(C(=O)NCc2ccccc2)CC1 16396413 LQYVTWNYXVSIEI-UHFFFAOYSA-N 342.447 1.612 0 40 EDAB COc1cc2c(cc1/C=C/C(=O)N1CCC[C@H](C(N)=O)C1)O[C@H](C)C2 7989644 GCIMHWCZAZZBDN-LJXRPBPOSA-N 344.411 1.756 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nncs1 8188654 JBBKEVXTCYQSJA-JTQLQIEISA-N 337.426 1.929 0 40 EDAB NC(=O)CCCNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 69384678 LQLOPPVYSUQYEU-UHFFFAOYSA-N 333.369 1.534 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 8315661 ICENGBRPAXQYRL-GWCFXTLKSA-N 333.413 1.213 0 40 EDAB O[C@@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccc2c(c1)OCCO2 69453197 NTLLCMLVWJTVQV-HOTGVXAUSA-N 345.399 1.089 0 40 EDAB CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](n2nc(C)cc2C)C1 69489691 CTOSRASMDKUIJX-GJZGRUSLSA-N 336.461 1.585 0 40 EDAB NC(=O)[C@H](NC(=O)[C@H]1CCCO1)c1cccc(Br)c1 69584308 IODGHMPGYMVSMF-GHMZBOCLSA-N 327.178 1.271 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1nnc(-c3occc3C)o1)CC2 69697658 ARAPJLYSJWPHSU-LLVKDONJSA-N 328.376 1.897 0 40 EDAB C[C@@H](C(=O)N1CCc2ccccc21)[S@](=O)Cc1nnnn1C1CC1 71859150 XONWPSCUNSVQON-BUBHHJDNSA-N 345.428 1.235 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CNC(=O)CC(C)(C)C 69901275 QKXQKPLFLRTIFJ-AWEZNQCLSA-N 332.400 1.670 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H]3CCCCN3C(C)C)CC2)on1 69920501 GZRODDXJXQLTIB-QGZVFWFLSA-N 334.464 1.890 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)C1 71804964 WFZLEKVYHOZURO-VIFPVBQESA-N 333.285 1.861 0 40 EDAB Cc1oc(CO)cc1C(=O)OCC(=O)Nc1cccc2nsnc12 19078588 AYPLWWUIGZBIBX-UHFFFAOYSA-N 347.352 1.881 0 40 EDAB Cc1cc2cc(NC(=O)C3CCN(S(N)(=O)=O)CC3)ccc2[nH]1 25129129 VEMDAJMSBMAGPG-UHFFFAOYSA-N 336.417 1.330 0 40 EDAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc(F)c(F)c1 8981927 PSQHOVXPJUWYDA-UHFFFAOYSA-N 326.324 1.889 0 40 EDAB CC(C)[S@@](=O)c1ccc(C(=O)NC[C@@H](C)N2CCOCC2)cc1 71921256 CAUOZUVYEAKKRT-FATZIPQQSA-N 338.473 1.653 0 40 EDAB Cc1cccc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)n1 71965088 KBGNNLJXAYQRKY-UHFFFAOYSA-N 331.401 1.732 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCC(=O)N2CCCCC2)C1 71920800 GEXDCIXDNXYMES-ZDUSSCGKSA-N 339.436 1.372 0 40 EDAB Cc1cnc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)s1 72238012 VUSKUHSTYAGZQT-KGLIPLIRSA-N 331.397 1.989 0 40 EDAB NC(=O)c1cnn(CCOC(=O)[C@H]2C[C@H]2c2ccccc2F)c1N 72289700 GMFXOWNHTYDMIL-QWRGUYRKSA-N 332.335 1.050 0 40 EDAB Cc1nc(C2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)no1 72285263 FQOQVXLGUXUITO-UHFFFAOYSA-N 347.400 1.823 0 40 EDAB Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@@H]4CCCN4C[C@@H]3C)cc12 72282379 USIOSJQVIFTLPE-AAEUAGOBSA-N 349.460 1.134 0 40 EDAB C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)OCCO2 72282403 FPFIGLCTHWMUGY-CHWSQXEVSA-N 338.429 1.315 0 40 EDAB O=C(C1CC1)N1CCC(Nc2cc(N3CCC[C@H]3CO)ncn2)CC1 72276060 QXIXVQWVRNUKFO-HNNXBMFYSA-N 345.447 1.251 0 40 EDAB CC(C)Cn1cnc(S(=O)(=O)NC[C@](C)(O)c2ccccc2)c1 95972873 PHMQEJXQFWWLRY-INIZCTEOSA-N 337.445 1.725 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cnccn1 95991298 DNGXPVKCGJTGSW-GFCCVEGCSA-N 334.738 1.804 0 40 EDAB NS(=O)(=O)c1cnn(CC(=O)N[C@H]2CCCCc3ccccc32)c1 89858383 CNWHDTVLRXPLKM-HNNXBMFYSA-N 348.428 1.114 0 40 EDAB CCS(=O)(=O)N(C)C1CCN(Cc2cccc(OC)c2)CC1 89272399 ZYTVBFRMABGZNU-UHFFFAOYSA-N 326.462 1.941 0 40 EDAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)COC)nc1C 72345491 HREVMOQSPCFPMJ-HNNXBMFYSA-N 348.447 1.967 0 40 EDAB O=C(NCc1ccccn1)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655730 RJTDPCHHVNKSNY-UHFFFAOYSA-N 331.322 1.748 0 40 EDAB Cc1cc(CN(C)C(=O)[C@H](Cc2ccccc2)n2cnnn2)no1 25138520 DAZNTHNFERCRCY-HNNXBMFYSA-N 326.360 1.412 0 40 EDAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCN(C)CC1 22515504 RWRAEAHOYYNVDM-KRWDZBQOSA-N 337.439 1.737 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H](C)OCC(F)(F)F)CC2)on1 42855601 IOBVDZHXOFBRAF-LLVKDONJSA-N 335.326 1.595 0 40 EDAB CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3cccs3)C[C@H]1C2 306137882 RJAWZPPYNPFQCF-VXGBXAGGSA-N 331.445 1.394 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CO)CO)cc1 218361415 NTXFOYAWWNFLOB-IAGOWNOFSA-N 332.421 1.906 0 40 EDAB COC(=O)c1cn(NC(=O)c2ccccc2OC)cc2c(O)nnc1-2 524734405 BSJKEUVABXAKDZ-UHFFFAOYSA-N 342.311 1.268 0 40 EDAB CCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 39985610 LPBRVBXXTUTPFY-GFCCVEGCSA-N 328.434 1.667 0 40 EDAB Cc1cccc(Cn2ccc(NC(=O)c3nc4ncccn4n3)n2)c1 36618833 UBVLIUMQXNGQKV-UHFFFAOYSA-N 333.355 1.930 0 40 EDAB Cc1ccc(CS(=O)(=O)CC(=O)NCCCOC(C)C)cc1 36396442 JWZQBGOEHAUZGP-UHFFFAOYSA-N 327.446 1.841 0 40 EDAB O=C(Nc1cc(F)ccc1-n1cccn1)N[C@H]1CCCCNC1=O 78611669 XTAMRDQUFGEUHK-LBPRGKRZSA-N 331.351 1.802 0 40 EDAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)s1 31814594 ZIIRCKQKFFRGMA-VIFPVBQESA-N 336.373 1.265 0 40 EDAB NC(=O)CN1CCC(Cc2cccc(Nc3ccccn3)n2)CC1 72361870 HDQHPQTYNOZVBJ-UHFFFAOYSA-N 325.416 1.960 0 40 EDAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1 71980262 JGUQBHIKLLFGDK-HNNXBMFYSA-N 332.400 1.814 0 40 EDAB Cc1c(C(=O)N(C)C[C@]2(C)CCN(C)C2)cnn1-c1ccccn1 71754498 XTDMBLILYBAGFV-GOSISDBHSA-N 327.432 1.990 0 40 EDAB O=C(O)[C@H](C[C@@H]1CCOC1)NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 563351708 NBVLCVGFQCTFAQ-CYUUQNCZSA-N 339.413 1.342 0 40 EDAB COCCn1cc(CN[C@H](C(=O)O)c2ccc(F)cc2F)cn1 569115784 YCFPTIBKUWOXQC-AWEZNQCLSA-N 325.315 1.723 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2cccc(Br)n2)C1 74941192 CPRWTWILJDKIEI-JTQLQIEISA-N 348.266 1.515 0 40 EDAB CC(C)N(C(=O)[C@H](C)N)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79393148 VJVKIBGBZNNWJW-HOCLYGCPSA-N 333.432 1.982 0 40 EDAB CC(C)OCCCNC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1 225978135 VPVPPLZRPNWKPD-UHFFFAOYSA-N 342.461 1.556 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cc(C(=O)O)oc2CC)C1 576998873 OQTRVLUIRNTZHU-NSHDSACASA-N 330.406 1.054 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)c2nnc3ccccc3n2)CC1 223208472 FORJHEBQBMTTBM-UHFFFAOYSA-N 327.388 1.402 0 40 EDAB O=C(c1ccncn1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 96041387 FWADMHRYTNKSNI-ULQDDVLXSA-N 340.383 1.460 0 40 EDAB Cn1cnc2c1CCN(Cc1ccccn1)[C@H]2CN1CCOCC1 96259802 SHACIRDYTNXWBL-KRWDZBQOSA-N 327.432 1.247 0 40 EDAB CCN(C)CCNS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 96427819 IDYYJDLRGOAXBN-UHFFFAOYSA-N 326.249 1.806 0 40 EDAB O=C(NC1CC1)N1CCC[C@@]2(COCCN(c3nncs3)C2)C1 96229267 JGLSXEGLMHFNFC-OAHLLOKOSA-N 337.449 1.329 0 40 EDAB O=C(c1ccsc1)N1CC[C@H]2[C@H]1CCN2S(=O)(=O)C1CC1 96055821 CEQQHWQYUFYBFP-OLZOCXBDSA-N 326.443 1.529 0 40 EDAB CC(C)N(C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCC[C@@H]1O 91074473 IRYVKQPJWVWHGZ-OAGGEKHMSA-N 332.510 1.672 0 40 EDAB COC(=O)[C@@H](O)C1CCN(Cc2nccn2Cc2ccccc2)CC1 95432412 IOJXZROSDYFLDT-SFHVURJKSA-N 343.427 1.677 0 40 EDAB Cn1cc(CN2CC[C@H]3C[C@@H](C(=O)NCc4ccco4)O[C@@H]3C2)cn1 96043016 VXWJWLHGANIOAF-BHYGNILZSA-N 344.415 1.309 0 40 EDAB Cn1ccc2c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cccc21 95475005 NEOMXDXZBGBFGS-UHFFFAOYSA-N 343.408 1.756 0 40 EDAB COCCN1CC[C@]2(COCc3c(C)nc(NCC4CC4)nc32)C1 96244526 REMIYRPPODYFLC-GOSISDBHSA-N 332.448 1.727 0 40 EDAB Cc1cnc(C(=O)N2CC[C@H]3C[C@@H](c4noc(C)n4)O[C@@H]3C2)cn1 96046403 JUFGQMLDIUVLKM-FPMFFAJLSA-N 329.360 1.469 0 40 EDAB Cc1ccc(CN2CCc3[nH]nc(C(=O)N4CCN(C)CC4)c3C2)o1 96187421 OQRPDVROXGFIBS-UHFFFAOYSA-N 343.431 1.257 0 40 EDAB O=C(c1ccco1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96108996 RWNZCUQNVPFNAM-KDOFPFPSSA-N 328.368 1.980 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Cc2cnn(C)c2)cc1 583616094 KOPDYDFHBNTTTG-MJGOQNOKSA-N 343.427 1.870 0 40 EDAB CCCS(=O)(=O)N1C[C@@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 96042626 CLGNOOLECJCOAO-MCIONIFRSA-N 344.408 1.571 0 40 EDAB CN1CCN(C(=O)NCc2nc3ncccn3n2)Cc2ccccc21 580528263 YQTQNIBJAMOYBF-UHFFFAOYSA-N 337.387 1.286 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)N1CCCC1)C2 96237876 HORFCTRPKYIZTA-IBGZPJMESA-N 342.443 1.625 0 40 EDAB CCCS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COCCN(C)C)C1 96039569 FTYKWMFKAYQFIB-JKSUJKDBSA-N 348.509 1.176 0 40 EDAB O=C(c1ccccn1)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 96048721 LAOUJYWGLQYGIQ-GOSISDBHSA-N 337.383 1.531 0 40 EDAB COc1ccc(-c2nn(CCCC(=O)N(C)C)c(=O)cc2OC)cc1 96100896 YHYKHGGVQFKYKZ-UHFFFAOYSA-N 345.399 1.796 0 40 EDAB CCN(CC)Cc1cn2c(n1)CN(C(=O)Cc1ccccn1)CC2 96197187 VMXIIDDRAGXTDI-UHFFFAOYSA-N 327.432 1.705 0 40 EDAB C[C@H]1COCCN1CCNc1cc(C(F)(F)F)nc2ncnn12 584009896 OJHWRJXQGZCAFW-VIFPVBQESA-N 330.314 1.276 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N(CCO)[C@@H]1CCCc2ccccc21 96455046 GDLPNMJSECQFKN-RHSMWYFYSA-N 343.431 1.748 0 40 EDAB O=C(c1ccc(F)cc1)N1C[C@@H]2OCCN(Cc3ccncc3)[C@@H]2C1 96081749 PRLZIZBVVCMUAF-MSOLQXFVSA-N 341.386 1.946 0 40 EDAB CN1CCC[C@@H](C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 97095282 APOTXYFRFZVBNI-RTBURBONSA-N 345.487 1.601 0 40 EDAB CS(=O)(=O)CCN1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 585091429 CMPSHQHMSIRJGF-HCXYKTFWSA-N 348.512 1.873 0 40 EDAB COC(=O)[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCOC2 585122200 QKNYTAGJEYVABT-QOKNQOGYSA-N 346.427 1.203 0 40 EDAB CC[C@@H]1NC(=O)N(C[C@H](O)COc2ccc(CCC(C)=O)cc2)C1=O 585138184 TVPLWTVTLUYFHW-HOCLYGCPSA-N 348.399 1.278 0 40 EDAB O=C(C[C@H]1CCCS1(=O)=O)NCc1nc2ccc(Cl)cc2[nH]1 585122013 KJBYCAJASFHWPS-SNVBAGLBSA-N 341.820 1.800 0 40 EDAB C=CC(=O)N(CC)CC(=O)Nc1ccc(CN2CCOC2=O)cc1 585135297 ALVSMGYOESWCCA-UHFFFAOYSA-N 331.372 1.612 0 40 EDAB CN(C)S(=O)(=O)N1Cc2cccn2[C@H](COCC2CCCC2)C1 247954924 NSUJFCJVCWFGAP-INIZCTEOSA-N 341.477 1.858 0 40 EDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@@H](c2cnccn2)C1 257273985 NJBKLLVKFKPWAD-GFCCVEGCSA-N 335.367 1.733 0 40 EDAB Cc1cc2nccc(C3CCN(CC4(O)CCOCC4)CC3)n2n1 257229007 FWFFOCZPXOGQBW-UHFFFAOYSA-N 330.432 1.759 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2coc(C)n2)CCN1Cc1ccccc1 257334947 YHYZTOJVHNNJFF-INIZCTEOSA-N 342.399 1.056 0 40 EDAB Cc1ccsc1C(=O)N1CC[C@H](O)[C@@H](n2ccc(O)nc2=O)CC1 257332034 XVMARJQKUFLBEP-RYUDHWBXSA-N 349.412 1.157 0 40 EDAB CCn1nc(C(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)cc1C 257310590 UFUKLKIRFCKWOU-AWEZNQCLSA-N 345.403 1.181 0 40 EDAB Cc1ccccc1C(=O)N1CCO[C@H](CCc2cc(O)ncn2)C1 257245758 IQYZFPZZUZAHFX-OAHLLOKOSA-N 327.384 1.964 0 40 EDAB Cc1ncccc1O[C@H]1CCN(C(=O)c2cccn2C)CC[C@@H]1O 257307559 SZFDIASDTDGCQV-RDJZCZTQSA-N 329.400 1.773 0 40 EDAB O=C(CCN1CCC[C@H]1Cn1cncn1)N1CCc2sccc2C1 69846434 UAYBNBBQELRYCD-HNNXBMFYSA-N 345.472 1.779 0 40 EDAB CN(C)c1cnc(C[C@@H]2CCCN(C(=O)c3cc[nH]n3)CC2)cn1 257305386 SPUCAFYAXIIAGC-CYBMUJFWSA-N 328.420 1.751 0 40 EDAB C[C@@H](C(=O)N1CCN(C)CC1)n1cc(COc2ccccc2)nn1 257173635 SZTNFZDUMZMWOT-AWEZNQCLSA-N 329.404 1.192 0 40 EDAB CCOCC(=O)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1 257302225 SCACYJXOOIUZHE-KRWDZBQOSA-N 333.432 1.614 0 40 EDAB Cc1ccc2nc(C(=O)N3CCO[C@@H](c4ccnc(C)n4)C3)cn2c1 257283783 OZVGQVXEVKVQNG-MRXNPFEDSA-N 337.383 1.955 0 40 EDAB Cc1cc(NC(=O)[C@]2(C(=O)OC(C)(C)C)CC=CCC2)nc(O)n1 593115876 LYGVLNZQMYCTER-KRWDZBQOSA-N 333.388 2.497 0 40 EDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NCC(F)(F)F 26298987 SFTMDJNWPKSAGF-LLVKDONJSA-N 341.337 1.939 0 40 EDAB CCOC(=O)[C@H](O)[C@@H](C)NC(=O)CCc1cccc(OC(F)F)c1 1615586182 KFDNSFMAYPBMOT-QMTHXVAHSA-N 345.342 1.649 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCCC[C@H]3CS(C)(=O)=O)c2n1 1615590425 MVAMCIOMNZMSES-LBPRGKRZSA-N 336.417 1.077 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](NCCOCCO)CC[C@@H]21 1616035932 BSWYUXUJWXRUPF-KFWWJZLASA-N 328.453 1.763 0 40 EDAB C[C@@H](NC(N)=O)C(=O)N1CCN(c2ccc(F)cc2F)CC[C@H]1C 1616032266 KINODVUYULIDKU-GHMZBOCLSA-N 340.374 1.449 0 40 EDAB COC(=O)c1c(O)cc(=O)n2c1CCN(C(=O)OC(C)(C)C)CC2 601014377 FIZVYKRAPSUTJX-UHFFFAOYSA-N 338.360 1.134 0 40 EDAB COc1nc(CNC(=O)CCc2cccc(Cl)c2)nc(N(C)C)n1 575604007 ODXWTABYDRTVNX-UHFFFAOYSA-N 349.822 1.849 0 40 EDAB O=C(CN1CCC[C@](O)(COc2ccc(F)cc2)C1)NC1CCC1 585277114 LJRZNMATVWAHII-GOSISDBHSA-N 336.407 1.700 0 40 EDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccccc2Cl)[C@@H]1O 585280686 NHXCDDQMXKGSFP-BMFZPTHFSA-N 338.835 1.916 0 40 EDAB CN(C)C[C@@H]1CCn2nccc2CN1C(=O)Cc1ccc(F)cc1 585097202 IRWDLNRZVMTQEQ-INIZCTEOSA-N 330.407 1.927 0 40 EDAB COc1ncc(CN2CCO[C@](CO)(Cc3cccc(F)c3)C2)cn1 585277627 NTHLHQJAWBXBQA-GOSISDBHSA-N 347.390 1.430 0 40 EDAB Cc1nc(CNC(=O)N[C@@H]2CCCc3c2cnn3CCO)cs1 65444432 PXQRBDRPNSVEMC-CYBMUJFWSA-N 335.433 1.517 0 40 EDAB C[C@@H]1CN(C(=O)NCC(=O)N2CCCC2)C[C@@H](c2ccccc2)O1 67590994 OEZQXOUIFCCQFN-ZBFHGGJFSA-N 331.416 1.780 0 40 EDAB CCCCNC(=O)N[C@H](CC(C)C)C(=O)N1CCC(CO)CC1 70039684 QELREUWCIDMPDD-OAHLLOKOSA-N 327.469 1.731 0 40 EDAB COC(=O)c1c(SCC(=O)N[C@H](C)C(C)C)nc(=O)[nH]c1C 31618071 LLGYGDKLIKWOEQ-MRVPVSSYSA-N 327.406 1.118 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@@H](C)c1nnc2ccccn12 31952556 LNJREFMDOMOMEL-QMMMGPOBSA-N 338.327 1.358 0 40 EDAB Cc1ccc(NC(=O)Cn2ncn3nccc3c2=O)c2cccnc12 71899950 YBNVYRREEQUJHK-UHFFFAOYSA-N 334.339 1.386 0 40 EDAB CN1CC[C@@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1=O 44349710 GUYKTVABFLIGEY-CABCVRRESA-N 344.411 1.990 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccncc2)CC1 45056044 UOSUSTIGEBTFSV-CQSZACIVSA-N 348.447 1.639 0 40 EDAB Cc1noc(C2CCN(C(=O)CCCNc3ncccn3)CC2)n1 54135437 FJWNBRFSZTXQER-UHFFFAOYSA-N 330.392 1.766 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)[C@@H](OCC(F)(F)F)c2ccccc2)C1 56412848 IYBNVOUTVWFEGG-NEPJUHHUSA-N 330.306 1.640 0 40 EDAB C[S@](=O)CCN1CCN(C(=O)CCC(=O)c2cccs2)CC1 76020597 KBVQFRNRCPUDIA-JOCHJYFZSA-N 342.486 1.234 0 40 EDAB CN(Cc1ccncc1)C(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 106735089 SCIHUEYONFFONH-HOTGVXAUSA-N 331.416 1.600 0 40 EDAB Cc1cc2n(n1)C1(CCN(Cc3ccnn3C)CC1)CC(=O)N2C 1772596163 MQINJQQQYMLUOF-UHFFFAOYSA-N 328.420 1.283 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1 5251277 FSQLKMWJNNKMKF-UHFFFAOYSA-N 326.352 1.771 0 40 EDAB CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)c1cc2ncccn2n1 12145007 FCAFTAMZRBLSGJ-OAHLLOKOSA-N 349.398 1.929 0 40 EDAB C[C@H]1CCCN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)C1 13648420 YRFBCQYBYFTYMX-NSHDSACASA-N 346.399 1.989 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1C 13849633 UVLOAJOIRBTTMC-UHFFFAOYSA-N 334.397 1.832 0 40 EDAB CCN(CC)CC(=O)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19526331 PXJWLJXZXUZKGB-AWEZNQCLSA-N 331.464 1.170 0 40 EDAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cnc(N2CCCCC2)nc1 19576026 MRBIULBTMNMENR-BHYGNILZSA-N 331.464 1.106 0 40 EDAB Cc1cc(=O)n(CC(=O)NC[C@H](C)N2CCOCC2)c2ccccc12 19657064 LBNNLNKVDABFDY-HNNXBMFYSA-N 343.427 1.147 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1cccs1)C3 19962267 ZZZVNEGFVBKHSR-QMMMGPOBSA-N 327.365 1.596 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 225507352 WCSBDBOXOLMKPG-GFCCVEGCSA-N 328.438 1.126 0 40 EDAB CCOc1ncccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 2622578 FOJNUROFSDPLEH-UHFFFAOYSA-N 349.412 1.100 0 40 EDAB CCCCn1c(SCC(N)=O)nc2cc(S(N)(=O)=O)ccc21 6181481 FWJRMFPMZRSFOM-UHFFFAOYSA-N 342.446 1.061 0 40 EDAB O=C(CCNS(=O)(=O)c1ccccc1Br)NC1CC1 8034910 HLYAXHXSAQCXOW-UHFFFAOYSA-N 347.234 1.396 0 40 EDAB Cc1nsc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 1888844468 PJRGBMUNLUBBIF-STQMWFEESA-N 328.397 1.468 0 40 EDAB O=C([C@H]1CN(c2ccncc2Br)CCO1)N1CCCC1 1888844664 WWYQEZPWCXUVGR-CYBMUJFWSA-N 340.221 1.672 0 40 EDAB Cc1nc(C)c(CN2CCC[C@H](NS(=O)(=O)C3CC3)C2)s1 1889108573 TXILATYTSWUCOC-LBPRGKRZSA-N 329.491 1.806 0 40 EDAB Cc1cncc(N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)n1 1889138967 VYJZQBJHKMHYAZ-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB COc1cccc(C(=O)N2CCO[C@]3(CCCCN(C)C3=O)C2)c1 2037985532 MZCRBYKMLQGZOV-GOSISDBHSA-N 332.400 1.549 0 40 EDAB Cn1cc(C(=O)N2CCC23CN(C(=O)c2cc(C4CC4)on2)C3)cn1 1565546573 ABPXANBYFHFJFH-UHFFFAOYSA-N 341.371 1.026 0 40 EDAB Cc1nc(C(=O)N2C[C@@H]3[C@H](C(=O)N4C[C@H](C)O[C@H](C)C4)[C@@H]3C2)cs1 1565552821 XZIXPUFQPPNORU-LUJTWBIFSA-N 349.456 1.405 0 40 EDAB COc1cccc(NC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)c1 4941322 KTJADXIRFBBTMI-HNNXBMFYSA-N 348.399 1.826 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1cccc(F)c1)c1cccn1C 11897921 BFZLNVFNPNACTJ-HNNXBMFYSA-N 325.409 1.745 0 40 EDAB O=c1ccc(C2CC2)nn1CC1CCN(CCN2CCOCC2)CC1 585502400 LCOVWTCIMPMAQJ-UHFFFAOYSA-N 346.475 1.165 0 40 EDAB CN1CCN(C(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccn2)C3)CC1 390830029 IHABDYNSSZWORV-GJZGRUSLSA-N 330.432 1.823 0 40 EDAB O=S(=O)(NC[C@@H](OCCO)c1ccsc1)c1cccc(F)c1 575619363 DGSYDKHOLNHQID-CQSZACIVSA-N 345.417 1.916 0 40 EDAB C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C[C@@H](C)O1 20572325 HHAXDPLYMJDFJX-LZWOXQAQSA-N 348.418 1.853 0 40 EDAB O=C1CN(C(=O)Cc2csc(-c3cccc(Cl)c3)n2)CCN1 40473757 NCFJFGSJOKIGAS-UHFFFAOYSA-N 335.816 1.964 0 40 EDAB Cc1cnc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cn1 40529339 GFCVOQQWHSTMRE-OKILXGFUSA-N 341.415 1.724 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 40525163 VZMKHHYYXCSRPH-UHFFFAOYSA-N 333.365 1.749 0 40 EDAB O=C(CCc1nc(-c2ccsc2)no1)N[C@H]1CCCCNC1=O 40521698 FEAFYIAUTGXMJV-NSHDSACASA-N 334.401 1.516 0 40 EDAB COC(=O)c1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C)O2)ccc1Cl 101358164 FCBUFYFFWZMHFV-IPJQOSJUSA-N 347.754 1.960 0 40 EDAB Cc1cc(C)n(CC(=O)Nc2cccc(Cl)c2)c(=O)c1C(N)=O 32876447 PRPYVHLAOJGJLH-UHFFFAOYSA-N 333.775 1.856 0 40 EDAB COc1cc(CNC(=O)c2cc(OC)c3c(c2)OCCO3)ccn1 32905187 USXNBBQPRSOYEC-UHFFFAOYSA-N 330.340 1.800 0 40 EDAB CN(Cc1cccs1)C(=O)CNC(=O)c1ccc2c(c1)OCO2 33019843 PJKNXOLDWGWMMM-UHFFFAOYSA-N 332.381 1.865 0 40 EDAB CC(C)[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(F)cc1 33160733 YXIWMQITBXSLRP-MRXNPFEDSA-N 333.363 1.200 0 40 EDAB O=C(Cc1nc2ccsc2c(=O)[nH]1)Nc1ccc2c(c1)OCCO2 53847787 CKPSHFUOKRFUOY-UHFFFAOYSA-N 343.364 1.937 0 40 EDAB C[C@@]1(c2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2)NC(=O)NC1=O 53845960 SBPOIJPCJCMVPV-SFHVURJKSA-N 334.335 1.645 0 40 EDAB in-vitro C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2ccccc2)CC1 22933403 GMYAREHSUVPEFU-AWEZNQCLSA-N 341.463 1.399 0 40 EDAB CN(C)S(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccccc1 571731 ADJCLVGLUHQTLK-UHFFFAOYSA-N 339.461 1.748 0 40 EDAB CN(C(=O)c1cc(Cl)c2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 23027716 RDFKSGWIKSYSRJ-VIFPVBQESA-N 331.777 1.328 0 40 EDAB CCc1ccc([C@@H]2CCCN2S(=O)(=O)NC[C@@H]2CCC(=O)N2)o1 78880946 OMXRKRIMNXPAKT-AAEUAGOBSA-N 341.433 1.092 0 40 EDAB COc1cc2c(c3oc(=O)cc(CCC(=O)O)c13)[C@H]1CC(=O)O[C@H]1O2 1592476 SOGRHNDZGHUMHI-CQLKUDPESA-N 346.291 1.568 0 40 EDAB C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1nnc2ccccn12 79011270 FMGBJVSRZZQAKR-PJODQICGSA-N 337.383 1.748 0 40 EDAB CC(=O)c1ccc(OC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 23886308 IAVNLSKCBJZYFL-CQSZACIVSA-N 325.386 1.609 0 40 EDAB CS(=O)(=O)Nc1ccc(NC(=O)CN2CCCCCC2=O)cc1 24030805 PKVHHWNYRGXTQR-UHFFFAOYSA-N 339.417 1.399 0 40 EDAB CCN(CC)CCNC(=O)CCCCC(=O)NCCN(CC)CC 4428703 ZPBIQIGBIGDJHZ-UHFFFAOYSA-N 342.528 1.463 0 40 EDAB CCn1c(=O)c2sccc2n(CC(=O)N2CCC[C@H](C)C2)c1=O 6678999 YCCVCNHYQJFNAS-NSHDSACASA-N 335.429 1.503 0 40 EDAB Cc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)cc1 6679489 OJLHVHSIIQTWAC-UHFFFAOYSA-N 329.381 1.709 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1 7052135 PUVADQAGEKDTHY-UHFFFAOYSA-N 335.337 1.957 0 40 EDAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)NCC(F)(F)F 12516305 GVRNMKXJFVAXFH-YUMQZZPRSA-N 331.294 1.885 0 40 EDAB CCc1nncn1CCNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 72293031 YPZREYLQPXBSFH-UHFFFAOYSA-N 343.366 1.299 0 40 EDAB Cn1nccc1CNC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 72271511 SBNFOXBHNDPUGY-CYBMUJFWSA-N 342.321 1.972 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)NCCn1ccnc1)CC2 43310539 JTEFFJSZVMMQGV-UHFFFAOYSA-N 330.388 1.668 0 40 EDAB O=C(COc1ccc(Br)cc1Cl)N1CCNCC1 43404094 BFXCYVZUMURMPM-UHFFFAOYSA-N 333.613 1.913 0 40 EDAB C[C@H](O)CN1CCN(CCC(=O)N[C@H](C)c2ccccc2)C[C@@H]1C 106844354 HFFFEPYMRWJGKE-YESZJQIVSA-N 333.476 1.641 0 40 EDAB C[C@@H]1CN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C[C@H]1N(C)C 107058396 XPRWTYXRDYXSNV-KYOSRNDESA-N 333.457 1.898 0 40 EDAB COC(=O)[C@@H](OC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 23222880 VVRRDRJCAXGGHH-SFHVURJKSA-N 341.363 1.803 0 40 EDAB O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CCN(CCOc2ccccc2)CC1 107352406 FBKWPKKWKBXDAL-KZNAEPCWSA-N 330.428 1.777 0 40 EDAB Cc1cccc(C)c1OCCCNC(=O)N1CCC(C(N)=O)CC1 56784558 PXLKZTPYOMAGCH-UHFFFAOYSA-N 333.432 1.979 0 40 EDAB CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 56884942 SUXLGWRGWGPSFK-ZIAGYGMSSA-N 348.451 1.049 0 40 EDAB O=C1C[C@H]2[C@@H](CCN2Cc2ccccc2)N1CCN1CCOCC1 107198493 BUNUOJJTVCNMQT-MSOLQXFVSA-N 329.444 1.194 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCN(c2cnccn2)CC1)c1ccco1 48230264 JKLMXLYABAFZRP-CQSZACIVSA-N 344.419 1.204 0 40 EDAB COc1ccc2c(C)c(CCC(=O)N[C@H](C)C(=O)O)c(=O)oc2c1C 26772078 QWOXRBMRTHAGTP-LLVKDONJSA-N 347.367 1.940 0 40 EDAB biogenic O=C(CN1CCC[C@H](c2ccn[nH]2)C1)N1CCO[C@@H]2CCCC[C@H]21 106901869 YAUCXAQHTGNCHI-USXIJHARSA-N 332.448 1.759 0 40 EDAB CC(C)n1nccc1NC(=O)CN1CCN(c2nccs2)CC1 44897060 FTMPZIMDDUQGIB-UHFFFAOYSA-N 334.449 1.681 0 40 EDAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2cccc(OC)c2)C1=O 27662067 AYHHLSLTQRGPNG-HNNXBMFYSA-N 337.401 1.539 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1 44934811 ZMWZVYCILVDYFF-SNVBAGLBSA-N 342.325 1.437 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 44969553 FCSBFUMPWAQZFO-RYUDHWBXSA-N 327.388 1.827 0 40 EDAB COC[C@@H](C)N(C)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O 44970024 LZONDJQEVPDNPO-GFCCVEGCSA-N 333.363 1.787 0 40 EDAB CCN1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 20112212 UKEGRQOTQUQTAY-UHFFFAOYSA-N 326.444 1.690 0 40 EDAB biogenic CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C(N)=O)c1ccc(F)cc1 72268556 FWTDWFSYJJEGPO-IKGGRYGDSA-N 333.407 1.827 0 40 EDAB O=C(CCNC(=O)c1cc(=O)c2ccccc2[nH]1)NCc1ccccc1 58327994 MKCDDBPQWHAUIH-UHFFFAOYSA-N 349.390 1.964 0 40 EDAB CCO[C@H]1CCCN(S(=O)(=O)c2cccc(C)c2C(=O)OC)C1 58326029 JBZZGCUNUYWKRD-ZDUSSCGKSA-N 341.429 1.971 0 40 EDAB Cn1cc(CN2C[C@H]3C[C@H]2CN(C(=O)c2cccc(F)c2)C3)cn1 107261350 AJXPDTNVTTYLRW-DYVFJYSZSA-N 328.391 1.906 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(c2nccs2)CC1 25007668 OGCHBZMZSVISTR-UHFFFAOYSA-N 333.461 1.775 0 40 EDAB COCCN1C[C@H](C(=O)N(C)Cc2ccc(Cl)s2)CC1=O 45307647 YRTKOJUJXNGBMJ-SNVBAGLBSA-N 330.837 1.855 0 40 EDAB COc1ccccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 3321568 BJANSGQQCYUCDV-UHFFFAOYSA-N 331.372 1.888 0 40 EDAB CCOC(=O)Cc1nnc(NC(=O)COc2ccc(F)cc2)s1 2444041 LXOUUDVGRFOEOH-UHFFFAOYSA-N 339.348 1.800 0 40 EDAB aggregator C[C@]1([C@H]2CCCN(CCc3ccc4c(c3)CCO4)C2)NC(=O)NC1=O 72300749 KBKRTYPCZKXRLV-HNAYVOBHSA-N 343.427 1.474 0 40 EDAB C[C@H](Sc1nnnn1Cc1ccco1)C(=O)NC[C@H]1CCCO1 11308749 NEFZGCYLWJJLDO-WDEREUQCSA-N 337.405 1.090 0 40 EDAB CC1(C)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)C1=O 29363041 AKIQFVWKDIHXOH-UHFFFAOYSA-N 330.388 1.556 0 40 EDAB COc1ccnc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 29624798 BUTZWRSYSOZQAW-UHFFFAOYSA-N 330.363 1.516 0 40 EDAB Cc1nc(N)nc(N2CCC[C@@H](c3ccncn3)C2)c1CCC(=O)O 95374899 SVBVTXLMHSUXBA-GFCCVEGCSA-N 342.403 1.558 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)c1ccncc1I 95447109 NXQAMJZVFFQRPF-DTWKUNHWSA-N 346.168 1.936 0 40 EDAB C[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)C2CC2)CC1 12997599 HVTCOIVMDMWXBI-ZDUSSCGKSA-N 335.473 1.350 0 40 EDAB Cc1csc(=O)n1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 13005832 VQWAUMHIIXWZGR-VIFPVBQESA-N 333.369 1.576 0 40 EDAB CCCC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 96002392 USMUOECDERZQMH-HNNXBMFYSA-N 347.463 1.168 0 40 EDAB CNC(=O)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 6087290 PKSVOIKSZPYBDX-UHFFFAOYSA-N 329.143 1.159 0 40 EDAB CCN1CCN(C(=O)NCc2ccnc(-n3ccnc3C)c2)CC1 65423941 OYUHMQPVCNQBCU-UHFFFAOYSA-N 328.420 1.423 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2cccc(-c3cccnc3)c2)C1 93531029 UQEFVXOOTPAOJF-QGZVFWFLSA-N 331.441 1.872 0 40 EDAB CCC(C)(C)NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 14086707 ODYIWYHLGNZRMA-GOSISDBHSA-N 345.399 1.521 0 40 EDAB CCN(Cn1nc2ccccn2c1=S)[C@H]1CCS(=O)(=O)C1 14135294 NIAFFXZMJOBMQF-NSHDSACASA-N 326.447 1.332 0 40 EDAB CC(C)C(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 14198074 VRWRCBQCAPFBFY-LBPRGKRZSA-N 338.839 1.862 0 40 EDAB CN(C)S(=O)(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 65611630 GVGUTUIJYIBGEF-UHFFFAOYSA-N 336.417 1.722 0 40 EDAB O=C(CC1CCCCC1)NCCNC(=O)C(=O)Nc1cccnc1 65623364 FMJWNZRODYVWTK-UHFFFAOYSA-N 332.404 1.223 0 40 EDAB CN1CCO[C@H](CNCc2ccccc2OCC(=O)N2CCCC2)C1 65611123 HAPFXDZPUBGZOR-QGZVFWFLSA-N 347.459 1.108 0 40 EDAB Cc1nnc(SC[C@@H](O)COc2ccc3ccccc3c2)n1N 66237627 LJGBOQNUKXXQMQ-AWEZNQCLSA-N 330.413 1.986 0 40 EDAB Cn1cc(CN2CC[C@@H](Oc3ccccc3Cl)C2)c(=O)n(C)c1=O 93838520 WXVNFLJTLCTRAS-CYBMUJFWSA-N 349.818 1.391 0 40 EDAB COCCN1CC[C@]2(CN(C(C)=O)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306130594 JKRXPJDGGGXYGP-CRAIPNDOSA-N 348.447 1.275 0 40 EDAB COc1ccc(C(=O)CN2C(=O)COc3ccccc3C2=O)cc1 6757808 QRSHMEIXFUUPPM-UHFFFAOYSA-N 325.320 1.939 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1nnc2n1CCC2 67143148 ZXYTVXFMLVVQPL-LBPRGKRZSA-N 349.435 1.630 0 40 EDAB CCc1ccc(-n2c(O)nc3nc(NCCOC)ncc3c2=O)cc1 67263600 KBAWSIYBAHQSCN-UHFFFAOYSA-N 341.371 1.502 0 40 EDAB O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cncc(O)c2)CC1 95395211 GFWSMFSDJUJIQR-UHFFFAOYSA-N 329.331 1.525 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)no1 67941680 TYDKWHIUPRBIKZ-ZDUSSCGKSA-N 334.420 1.741 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 71865498 UGHUOVRYDQTAFX-WBVHZDCISA-N 344.459 1.892 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCC1(c2ccc3c(c2)OCO3)CC1 71853459 TYULSTJTVLKFAC-GXTWGEPZSA-N 344.411 1.725 0 40 EDAB Cc1cc(C)n([C@@H](C)C(=O)N2CCN(Cc3ccccn3)CC2)n1 71828052 FUOGFWXGZBEITJ-INIZCTEOSA-N 327.432 1.800 0 40 EDAB NS(=O)(=O)c1cc(C(=O)NCCCNc2ccccc2)cs1 71896411 BTBFRIJZIAMYES-UHFFFAOYSA-N 339.442 1.628 0 40 EDAB CCCN(CC)c1ccc(C(=O)OCCNS(C)(=O)=O)cc1 84755163 TXJBHJWHFCWCPH-UHFFFAOYSA-N 328.434 1.629 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCc4ccccc43)CCO2)n1 83829811 MRXBQABLAQNFQN-CABCVRRESA-N 326.400 1.997 0 40 EDAB CC(=O)NCCCOC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 70010194 YICMRIYRMRJMAM-CQSZACIVSA-N 326.299 1.527 0 40 EDAB COCCN1CCN(CC(=O)NCCc2ccc(F)cc2)C[C@H]1C 70016623 SWGNDDHRLSQVKY-OAHLLOKOSA-N 337.439 1.137 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3o2)cc1 21386272 UFVAFMLCDCLCJU-UHFFFAOYSA-N 332.337 1.832 0 40 EDAB CC(C)CNC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1 69348851 FKZNPCJTXCWANH-CYBMUJFWSA-N 346.449 1.662 0 40 EDAB CCN(CC)C(=O)CCNC(=O)[C@H](C)NC(=O)CC1CCCCC1 69421078 XNVIMUOQIATETB-AWEZNQCLSA-N 339.480 1.836 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNC1CCN(c3ccccn3)CC1)CN2 69453182 HSZOHKDANOKTQJ-HNNXBMFYSA-N 326.448 1.887 0 40 EDAB CCc1ccsc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 69571381 IGAVYDBPSOMYNP-CHWSQXEVSA-N 342.486 1.302 0 40 EDAB C[C@H]1CN(C(=O)Cn2c(S)nnc2-c2cccs2)C[C@@H](C)O1 17327370 ZLXZEWXCVUKDPZ-AOOOYVTPSA-N 338.458 1.931 0 40 EDAB Cn1c(CN2CCC[C@@H](CN3CCCCCC3)C2)cc(=O)n(C)c1=O 69655677 NZJICTMAAUROHY-INIZCTEOSA-N 348.491 1.172 0 40 EDAB NC(=O)c1ccc(Cl)c(NC(=O)c2sccc2-n2cnnn2)c1 69699670 LYLYPEKXRSZCJQ-UHFFFAOYSA-N 348.775 1.728 0 40 EDAB Cc1nc(CN2CCC[C@@H](N[C@H](C(N)=O)c3ccc(F)cc3)C2)no1 69632873 HVOHVULCOASMKL-ZBFHGGJFSA-N 347.394 1.298 0 40 EDAB COC[C@@H](C)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 17641105 FFMFWRFWSXOAMA-LLVKDONJSA-N 349.456 1.878 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1nnnn1-c1ccccc1 69947220 ANNUQIPTQZRLMW-SJORKVTESA-N 340.431 1.638 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)CS(=O)(=O)C3CCCC3)C2)c1 69925300 HOYKQXACNBBWRX-AWEZNQCLSA-N 339.461 1.712 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cc(C)c(OC)c(C)c2)C1 95999502 QHFOQONXDUONMX-HNNXBMFYSA-N 326.462 1.826 0 40 EDAB Cn1cc(C[C@H](CNCc2ccc(-n3cccn3)cc2)C(N)=O)cn1 95996696 CVUUCNWHQTYBIF-MRXNPFEDSA-N 338.415 1.040 0 40 EDAB C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)NC(=O)Nc1ccccc1 9954458 NGCMOQJWGPUXES-VIFPVBQESA-N 347.400 1.735 0 40 EDAB Cc1sc(CCNC(=O)c2n[nH]c(=O)[nH]2)nc1-c1ccccc1 75092973 YQNVZXRDWHPKLQ-UHFFFAOYSA-N 329.385 1.502 0 40 EDAB Cc1cnc([C@@H](NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)C2CC2)s1 89702385 IZTNAXFMEUHQTJ-FZMZJTMJSA-N 334.445 1.965 0 40 EDAB C[C@@H](NC(=O)NC(C)(C)C)[C@H]1CCCN(C(=O)c2cnns2)C1 89894261 KBUQSCZXVSQRTD-MNOVXSKESA-N 339.465 1.877 0 40 EDAB C[C@H](Cc1ccccc1F)NC(=O)NC[C@](C)(O)c1cnn(C)c1 89904223 LAMXPCNIEMGXER-PXAZEXFGSA-N 334.395 1.697 0 40 EDAB CCN(CCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1)C1CC1 89969200 YCRHOZFSEFYQCY-QGZVFWFLSA-N 345.443 1.015 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc(N3CCCC3)nn2)no1 76043184 YSRGOQUYNWGNLV-ZDUSSCGKSA-N 328.376 1.746 0 40 EDAB NC(=O)[C@H](NC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1F 76017127 KPBIJGCDNCYKNO-OAHLLOKOSA-N 339.330 1.363 0 40 EDAB O=C(O)[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(Br)o2)C1 548265167 WPNXUFWXUFAHMI-BQBZGAKWSA-N 336.163 1.350 0 40 EDAB COc1cc(C)c(S(=O)(=O)NC[C@@H](C(=O)O)C(C)C)cc1C 548592090 FZDIQCVPMNGYJO-GFCCVEGCSA-N 329.418 1.947 0 40 EDAB CCOc1c(Br)cc(/C=C/C(=O)NCCO)cc1OC 62714714 QXSYIKGLXOKRDO-SNAWJCMRSA-N 344.205 1.978 0 40 EDAB COCCN1CC[C@]2(CN(C(=O)Cc3cccs3)C[C@H]2C)C1=O 306133329 MILVFURJAZSXNH-CXAGYDPISA-N 336.457 1.634 0 40 EDAB Cc1ncccc1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 528987689 QFHKANCZDAKAIW-UHFFFAOYSA-N 344.419 1.240 0 40 EDAB O=C(CN1CC(=O)Oc2ccccc21)NCCc1ccc(F)cc1 31838078 QMJOZYHFIGOMSB-UHFFFAOYSA-N 328.343 1.910 0 40 EDAB O=S(=O)(Cc1ccon1)N1CCN(CCCc2ccccc2)CC1 75918442 IZDJTJVGDMLHIB-UHFFFAOYSA-N 349.456 1.755 0 40 EDAB CN1CCCC[C@]1(C)C(=O)N1CCC(Cn2cc(C(N)=O)cn2)CC1 72367360 XPCGEJMDLZDZKK-GOSISDBHSA-N 347.463 1.095 0 40 EDAB CCSc1cncc(NCCCn2nc3n(c2=O)CCCC3)n1 79311216 XXWSYJXBYSADBV-UHFFFAOYSA-N 334.449 1.785 0 40 EDAB Cc1cc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)nnc1C 78115112 ODGBJWGNRXFRHQ-MRXNPFEDSA-N 326.400 1.933 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 43014422 CADVSLMPWNGEGF-GXTWGEPZSA-N 341.429 1.151 0 40 EDAB Cc1ccc(CN(Cc2ncc(C(=O)O)c(C)n2)S(C)(=O)=O)cc1 49468448 JKCIDQLXXYDHQH-UHFFFAOYSA-N 349.412 1.753 0 40 EDAB CCCNS(=O)(=O)c1ccc(NCCCOC)c(C(=O)O)c1 217542920 PJLBAQCNXDTYFL-UHFFFAOYSA-N 330.406 1.522 0 40 EDAB CC[C@H](CNS(=O)(=O)c1cccc(C(=O)OC)c1)N1CCCC1 48237793 VKLJLJWLOMQJDQ-CQSZACIVSA-N 340.445 1.626 0 40 EDAB Cn1cccc1[C@H](O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 75155114 FOACRAMEWALLIR-CYBMUJFWSA-N 332.784 1.830 0 40 EDAB CCn1cnnc1CCNC(=O)c1cc(Br)cn1C 80112745 GTMXVMCNSYGUIL-UHFFFAOYSA-N 326.198 1.372 0 40 EDAB CNC(=O)c1cccc(CNC(=O)NCc2ccc3c(c2)OCO3)c1 45685685 HTNHDVLFKGVBIC-UHFFFAOYSA-N 341.367 1.774 0 40 EDAB COc1ccc(CC(=O)N2CCN(C[C@@H](O)c3ccco3)CC2)cc1 85436758 BYYZFTMNSRCBBI-QGZVFWFLSA-N 344.411 1.709 0 40 EDAB Cc1c(NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)nnn1C 570807049 WOZVIPWYWIRARS-VIFPVBQESA-N 335.314 1.393 0 40 EDAB O=C(NCC1CCN(c2ncccn2)CC1)C(=O)Nc1ccccc1 43941429 MOPPGDAIWMIVQP-UHFFFAOYSA-N 339.399 1.448 0 40 EDAB Fc1cccnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 84487366 CGVSUCAGBHQFAQ-UHFFFAOYSA-N 344.394 1.174 0 40 EDAB CCCNS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 222741540 WTJKYCQRZBUXMD-UHFFFAOYSA-N 340.430 1.787 0 40 EDAB CC(C)(C)c1ccc(NC(=O)N2CCC(n3cnnc3O)CC2)nn1 575603184 MGZPJOJAWWTDCM-UHFFFAOYSA-N 345.407 1.940 0 40 EDAB Cc1ccc(-n2cc(C(=O)N[C@@H]3CCc4nnc(C)n4C3)nn2)cc1 97198397 DZZMGZRIALURBR-CYBMUJFWSA-N 337.387 1.220 0 40 EDAB O=C(Cc1ccc(-n2cnnc2)cc1)N1CCc2ccccc2[C@H]1CO 582662012 UEEYABSRYIRFKP-LJQANCHMSA-N 348.406 1.928 0 40 EDAB Cc1occc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C 582681556 BPHCJRMWFOVROI-RHSMWYFYSA-N 342.399 1.946 0 40 EDAB CCOC(=O)C1(O)CCN(C(=O)[C@@H](c2ccncc2)C(C)C)CC1 330032595 PNCBAQFTYJNWDS-OAHLLOKOSA-N 334.416 1.738 0 40 EDAB CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)c1ccc[nH]1)CC2 96217751 IFDMVMYIXIQSKG-SFHVURJKSA-N 332.448 1.564 0 40 EDAB CN(C)C(=O)CO[C@H]1COC2(CCN(Cc3cccnc3)CC2)C1 96047834 JYLFCCDEUQRJFC-MRXNPFEDSA-N 333.432 1.310 0 40 EDAB O=C(c1ccc2[nH]cnc2c1)N1CCCN(C2CCOCC2)CC1 96415653 DKEXBFKQBFWMPT-UHFFFAOYSA-N 328.416 1.890 0 40 EDAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(OC)cn2)cc1 330031887 FOCHPOMXNKKEQE-UHFFFAOYSA-N 336.373 1.635 0 40 EDAB C[C@@H](NC(=O)c1cnn(C)c1)[C@H]1CN(Cc2ccccc2)CCO1 96420904 RRAMOTQIAVDDKD-RHSMWYFYSA-N 328.416 1.439 0 40 EDAB O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(F)c(F)c1F 96420337 UGRPOSOEDJHKJQ-KWQFWETISA-N 330.306 1.710 0 40 EDAB COC[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)CN1C(C)C 96240322 CGDVPVIEKBSNCW-INIZCTEOSA-N 332.448 1.828 0 40 EDAB CC(C)n1cc([C@]2(O)CCN(CCOc3ccccc3F)C2)nn1 583618321 NUSNLMXFPQRQRU-KRWDZBQOSA-N 334.395 1.970 0 40 EDAB Cc1cc(N2CCC(N(C)CCS(C)(=O)=O)CC2)nc(C)n1 96452006 SAECMTURRCGMLS-UHFFFAOYSA-N 326.466 1.039 0 40 EDAB CN(C)CCOC[C@H]1CCC[C@]12CN(Cc1cnn(C)c1)CCO2 96159884 RUXMIVINHZNOKW-MSOLQXFVSA-N 336.480 1.369 0 40 EDAB COCC(=O)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 96113154 CRUFLTGVDIJUPD-LLVKDONJSA-N 334.294 1.353 0 40 EDAB biogenic,in-vitro O=C(c1ncccn1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 247852234 JCRXQZIXKSJUAQ-AWEZNQCLSA-N 349.456 1.620 0 40 EDAB O=C(NCCOc1ccccc1)c1cc(N2CCOCC2)ncn1 244942739 CXAYSJVBFSOKBG-UHFFFAOYSA-N 328.372 1.122 0 40 EDAB C[C@H]1CN(Cc2ccccc2S(N)(=O)=O)c2ccccc2NC1=O 585084795 JNYXABGZOAASIR-LBPRGKRZSA-N 345.424 1.929 0 40 EDAB Cc1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccnn2C)c(O)c1 585089602 ASUIEPSUKNCPEN-KRWDZBQOSA-N 337.383 1.945 0 40 EDAB COC[C@H]1CCS(=O)(=O)C12CN(C(=O)Cc1ccccc1C)C2 248166301 RNFVNOGHVBXVAL-OAHLLOKOSA-N 337.441 1.200 0 40 EDAB C[C@@H]1CCc2ccccc2N1C(=O)COc1ccncc1C(N)=O 585123138 XBURPQQSJXEMQT-GFCCVEGCSA-N 325.368 1.927 0 40 EDAB CN(CCn1cnc2c(N)ncnc21)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585127656 GMZOXIURJZLZTN-RWMBFGLXSA-N 328.420 1.693 0 40 EDAB CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)Nc3ccccn3)CO2)C1 585119941 BMQLJNJDGOUCIL-GFCCVEGCSA-N 348.403 1.982 0 40 EDAB Cn1cncc1CC(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 585112970 PPDYLZIBLQYZQL-UONOGXRCSA-N 348.447 1.915 0 40 EDAB COC(=O)C1(N(C2CC2)S(=O)(=O)c2c(C)nn(C)c2C)CCC1 585114687 RRIPCNDNQDITMC-UHFFFAOYSA-N 341.433 1.286 0 40 EDAB Cn1ccc(C(=O)NCc2nnc3n2CCC[C@@H]3C(F)(F)F)n1 585139654 IVNAVTXIYZBNAE-QMMMGPOBSA-N 328.298 1.381 0 40 EDAB COCC(=O)N1CCC(Cc2nc(C)cc(-c3cc(C)n[nH]3)n2)CC1 257222713 DUKRNVBPUSUKRH-UHFFFAOYSA-N 343.431 1.911 0 40 EDAB CCS(=O)(=O)NCC[C@H]1CN(C2CCC2)Cc2ccnn2C1 253488604 BFDGYIWCIAROIP-ZDUSSCGKSA-N 326.466 1.197 0 40 EDAB COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)NCc1ccnc(C)n1)C2 252497973 QSQDHPLNKZLHBR-CXAGYDPISA-N 332.404 1.660 0 40 EDAB Cc1ncoc1C(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257284385 PCLYINRJQYLJJU-QGZVFWFLSA-N 330.388 1.482 0 40 EDAB CCn1nccc1-c1ccc(C[C@H]2CCN(S(C)(=O)=O)C2)cn1 257336756 YPXCMBYRNLELMA-CQSZACIVSA-N 334.445 1.789 0 40 EDAB COc1cc(CCC(=O)N2C[C@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2C3)on1 524731209 OAGPKUPPGATODV-NFAWXSAZSA-N 347.415 1.475 0 40 EDAB O=C(c1ccccc1Cl)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257206213 BCKYXAMIBODWTI-HOTGVXAUSA-N 338.835 1.638 0 40 EDAB CC1(C)Oc2ccc(O)cc2[C@@H]2O[C@@H]3CCN(CC(N)=O)[C@H]3C[C@H]21 257265945 MAZKNKGQENEVTK-CXUGXGMPSA-N 332.400 1.569 0 40 EDAB CCc1ccccc1-n1nc(C(=O)O)c(N2CCN(CC)CC2)n1 256046897 ISSGNYNHVKSBED-UHFFFAOYSA-N 329.404 1.670 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)c3c(C)noc3C)CCO2)ncn1 257284049 PBBHMUARUQNQJM-OAHLLOKOSA-N 330.388 1.864 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)CCc2cccnc2)n1 257340935 ZIEOHHRWFLRYJK-OAHLLOKOSA-N 341.415 1.754 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(C(=O)c3ccnnc3)CCO2)ccn1 257273083 NFEQXKXIUKCFBZ-INIZCTEOSA-N 341.415 1.411 0 40 EDAB COc1ccccc1CCC(=O)NCc1nnc2c(OC)nccn12 253472597 NUOVNMRLZQBKDS-UHFFFAOYSA-N 341.371 1.391 0 40 EDAB Cc1noc(CCNC(=O)c2cc(N(C)C)c3ccccc3n2)n1 252482133 CZKPQNNLAOCMIJ-UHFFFAOYSA-N 325.372 1.965 0 40 EDAB CCn1cc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)cn1 257332849 XYYXWRZMRSTFAA-UHFFFAOYSA-N 342.447 1.507 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CN(Cc3ccccc3C)CCO2)n1 257217410 CYUUOIPDIBLCMQ-SFHVURJKSA-N 340.427 1.995 0 40 EDAB CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)O)cs1 263121262 XCSZBOJXZVJASG-MKPLZMMCSA-N 343.426 1.477 0 40 EDAB CC1(C)[C@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)[C@H]2CCO[C@H]21 607321948 UUVNECDWLHMOID-FSPWUOQZSA-N 344.411 1.880 0 40 EDAB Cn1cc([C@H]2CN(C(=O)N[C@H]3CCCC(C)(C)C3)C[C@@H]2C(N)=O)cn1 286397084 NLFYTOCCDSPLRH-ZNMIVQPWSA-N 347.463 1.599 0 40 EDAB O=C(CCc1cccc(OC(F)F)c1)N1CCCC1(CO)CO 1615587209 VJQQSMOXBFQZFM-UHFFFAOYSA-N 329.343 1.566 0 40 EDAB C[C@H](CC(=O)c1ccccc1)NS(=O)(=O)CC(=O)OC(C)(C)C 1615547419 AGVJWTXTUAGGRZ-GFCCVEGCSA-N 341.429 1.909 0 40 EDAB Cc1cc(C)c(CNC(=O)N2C[C@@H]3COCC[C@]3(C(N)=O)C2)c(C)c1 1615613510 AJDKOFCHXXPKBA-BEFAXECRSA-N 345.443 1.645 0 40 EDAB COCCCN[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ncnc21 1616037714 LLZHKTUAMGHQKC-GFCCVEGCSA-N 337.424 1.295 0 40 EDAB COCO[C@@H]1CCO[C@@H]1[C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1 601014518 MZNXWVNRRBHRNU-DGTMBMJNSA-N 332.393 1.436 0 40 EDAB COc1ccc(C(=O)NCc2cn(-c3ccncc3)nn2)cc1F 390829116 CTOGMGYPWHAQMP-UHFFFAOYSA-N 327.319 1.740 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)C3CC(F)(F)C3)[C@H]2C1 575405444 SLVHLEKZEGNLLC-FYGCWZCISA-N 342.386 1.277 0 40 EDAB Cc1ccc(NC(=S)N(CC(=O)O)[C@@H]2CCS(=O)(=O)C2)cc1 575423356 ZXJICYLUQKOCNU-GFCCVEGCSA-N 342.442 1.266 0 40 EDAB CCN1CCC(N2CCOC[C@](O)(COc3cccc(C)c3)C2)CC1 585278057 PUGAHLNCSWUODH-FQEVSTJZSA-N 348.487 1.921 0 40 EDAB CN(C)C[C@@]1(O)CCCN(CCC(=O)Nc2cc(N)ccc2F)C1 585141969 JYMDRZGBCKYAHU-KRWDZBQOSA-N 338.427 1.125 0 40 EDAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNC2CCCCC2)C1 585292223 YKYXPQNJVXSVGR-QUCCMNQESA-N 346.471 1.476 0 40 EDAB Cc1cccc(-c2noc(CN3CCO[C@H](Cn4cncn4)C3)n2)c1 69976326 OFQFLZHPIHWYGF-HNNXBMFYSA-N 340.387 1.538 0 40 EDAB O=C(COCC1CC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 69616708 ZYYQIBHZXXKGCH-UHFFFAOYSA-N 338.354 1.676 0 40 EDAB Cc1cc(C)n(C[C@H](C)NC(=O)CCNC(=O)Cc2ccccc2)n1 69653689 MURSNFLYFBCVAD-HNNXBMFYSA-N 342.443 1.754 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1CCCN(c2ncccn2)C1 32005797 VQQHOGULAWRLOC-HOTGVXAUSA-N 338.411 1.813 0 40 EDAB C[C@@H](Sc1nncs1)C(=O)Nc1ccc(-n2cncn2)nc1 40134984 CXFGGSJXUWPABC-MRVPVSSYSA-N 333.402 1.633 0 40 EDAB COc1ccccc1[C@H](CNC(=O)[C@@H](C)OC)NC(=O)[C@@H](C)OC 75610964 VTQDBPLVAMFNLU-BZPMIXESSA-N 338.404 1.039 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)N1CCO[C@@H](C)C1 57888908 DPXIWCSCNUZSGS-LBPRGKRZSA-N 326.418 1.058 0 40 EDAB Cc1c(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cnn1C 40485064 YCZDOBKTIYAWEE-SNVBAGLBSA-N 336.417 1.209 0 40 EDAB Cc1nc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)co1 661179244 KURHLLKURXRVRS-IYBDPMFKSA-N 325.368 1.600 0 40 EDAB COc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)nn2C)cc1 11694285 GOXFBBQZSILLSN-UHFFFAOYSA-N 337.401 1.540 0 40 EDAB CC(C)N(C(=O)Cn1nc2n(C)c3ccccc3n2c1=O)C(C)C 12144405 ZVYPJQQBJCVCAY-UHFFFAOYSA-N 329.404 1.633 0 40 EDAB CC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 12310302 XQXHAKCXMOLNFJ-UHFFFAOYSA-N 341.350 1.018 0 40 EDAB C[C@@H](NC(=O)OCc1ccccc1)c1ccc(=O)n(CC(=O)O)n1 15021776 GMEKLKOKCLAGDA-LLVKDONJSA-N 331.328 1.315 0 40 EDAB CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 16637328 ZOQKRVIPJXKBOL-LBPRGKRZSA-N 328.434 1.621 0 40 EDAB O=C1CC2(CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CN1 19334775 QDGNGUDWVBMDQV-UHFFFAOYSA-N 342.848 1.772 0 40 EDAB CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930026 JNDOVITWFBPUHK-UHFFFAOYSA-N 348.852 1.884 0 40 EDAB CO[C@H](CNS(=O)(=O)c1cn(C)cn1)c1ccccc1Cl 206854132 IFGMICCGRVGUEW-GFCCVEGCSA-N 329.809 1.740 0 40 EDAB COc1cc(OC)cc(C(=O)N(C)C2CN(c3ccc(C)nn3)C2)c1 1888860305 RKOKHCIBWPHZSV-UHFFFAOYSA-N 342.399 1.763 0 40 EDAB NC(=O)CSCCC(=O)NCc1csc(Br)c1 31422641 GCICWAKKLFOBCA-UHFFFAOYSA-N 337.264 1.735 0 40 EDAB Cc1cc(CN2CCC(Nc3ccnn3C)(C(=O)N(C)C)CC2)no1 2055747303 ZKSFFAABMSSJKU-UHFFFAOYSA-N 346.435 1.251 0 40 EDAB Cn1ccc(C(=O)N[C@H]2CCc3onc(CN4CCCC4)c3C2)n1 2055732761 ZFJHWHOWDVNCAJ-LBPRGKRZSA-N 329.404 1.291 0 40 EDAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)Cc4ccc(F)cn4)C[C@H]3O2)n[nH]1 2055771520 DYGCEUUJDIKPIO-NILFDRSVSA-N 345.378 1.568 0 40 EDAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)C(C)C)cc21 21756841 YRDJBNMUXKWTBV-UHFFFAOYSA-N 326.418 1.762 0 40 EDAB CCc1cnc(OC2CCN(S(=O)(=O)CC(C)C)CC2)nc1 1775972718 SFMYMPACJUUNSD-UHFFFAOYSA-N 327.450 1.868 0 40 EDAB COc1ccc(CCNC(=O)NCC[C@@H](O)C2CCOCC2)cc1 217930038 LXFSPYGHJPPLKY-QGZVFWFLSA-N 336.432 1.715 0 40 EDAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccncc2)CC1 1190853460 VWKPIOUCWXYBSO-UHFFFAOYSA-N 327.406 1.323 0 40 EDAB CCc1ccc(N2C(=O)[C@H]3ON=C(c4cn(C)nc4C)[C@@H]3C2=O)cc1 103507253 NPNLRLZERQETBG-HOCLYGCPSA-N 338.367 1.583 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@H](C)N2CCOCC2)cc1 30338098 HTWPJHQGBVGNMB-ZDUSSCGKSA-N 328.434 1.084 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cn1ncc2ccccc2c1=O 40493343 BIQOBYMRGAXKHP-GOSISDBHSA-N 348.406 1.527 0 40 EDAB C[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1noc(C(C)(C)C)n1 40528945 PJUNAQOVLZHCNN-NSHDSACASA-N 343.449 1.683 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 40523648 VBXVPNFNHJQTNH-GXTWGEPZSA-N 341.429 1.246 0 40 EDAB CCc1nc2ccccc2n1CC(=O)NCC(=O)Nc1cn[nH]c1 51414300 VKFLNRAIKNQTTO-UHFFFAOYSA-N 326.360 1.077 0 40 EDAB O=C(Cc1ccc(OC(F)(F)F)cc1)NCC(=O)Nc1cn[nH]c1 51413438 ALLBMAHSBBFQKO-UHFFFAOYSA-N 342.277 1.606 0 40 EDAB CC(C)CNC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1 20735509 MPSRRMORUXMYMF-UHFFFAOYSA-N 344.371 1.919 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)CCn2cncn2)C1 102387086 CGZBFFMLHKAYBI-CYBMUJFWSA-N 349.822 1.725 0 40 EDAB O=C(COc1ccccc1)Nc1cccc(CN2C(=O)CNC2=O)c1 32818234 ZTKXPJNZBVTUIM-UHFFFAOYSA-N 339.351 1.756 0 40 EDAB CC(C)(CNC(=O)c1ccc(C(F)(F)F)nc1)N1CCOCC1 41903499 UCCWVTISOIOABR-UHFFFAOYSA-N 331.338 1.941 0 40 EDAB O=C(COC(=O)CCc1nc(C2CCCC2)no1)NCC(F)(F)F 84543873 GLVWBYIKLSAMHO-UHFFFAOYSA-N 349.309 1.882 0 40 EDAB Cc1cc(C)cc(N(CC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1 803315 WNUXTGJUZJQSSJ-OAHLLOKOSA-N 340.445 1.365 0 40 EDAB Cc1cc(CN(C)C(=O)[C@H]2CN(Cc3ccccc3)CCO2)no1 89601057 SDMLXGFDZGSAPL-QGZVFWFLSA-N 329.400 1.842 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3nccn4ccnc34)CCO2)n1 78894293 LMXCSNUJJVZXML-NSHDSACASA-N 341.375 1.185 0 40 EDAB O=C(NCCc1ccc(-n2cccn2)cc1)NC[C@H]1CCC[C@H]1O 78951499 ZLFWOUKFCMWGCQ-NVXWUHKLSA-N 328.416 1.875 0 40 EDAB CCNc1ncc(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)s1 78995722 FYDALAPPZOPXGL-ZETCQYMHSA-N 336.339 1.468 0 40 EDAB O=C(NC1CC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813815 JYTMZWNHXYKADU-UHFFFAOYSA-N 344.820 1.253 0 40 EDAB O=C(NCc1nnnn1C1CC1)c1c(O)cc(Cl)cc1Cl 79026339 RGUDINGRQWQDBF-UHFFFAOYSA-N 328.159 1.950 0 40 EDAB Cc1cc(C)nc(NCC(=O)NCCc2nc3ccccc3n2C)n1 79487458 ZPUSOKWYUNMLOM-UHFFFAOYSA-N 338.415 1.751 0 40 EDAB Cc1ccc(OCc2nc(CC(=O)N3CCNC(=O)C3)cs2)cc1 23420869 MGVRCRULBPRYGO-UHFFFAOYSA-N 345.424 1.531 0 40 EDAB O=C(O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)ccc1Cl 3206243 XZKDRABZXZQZJY-SNVBAGLBSA-N 333.749 1.276 0 40 EDAB Cn1cc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cn1 61718977 ALGCERWVPAJCOX-UHFFFAOYSA-N 327.319 1.422 0 40 EDAB O=S(=O)(CCN1CCC[C@H](O)C1)c1ccc(Br)cc1 47864818 JHCOLXLVDVLUJJ-LBPRGKRZSA-N 348.262 1.680 0 40 EDAB in-vitro CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n(C)c1 105627994 SDRVOYYMEBWSKP-MNXVOIDGSA-N 339.461 1.488 0 40 EDAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCCCO)cc1 6321456 BADWWJKSMSHUCH-UHFFFAOYSA-N 342.461 1.195 0 40 EDAB CN(C)C(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 8644927 HOHFORYQJJKGMU-GOSISDBHSA-N 325.368 1.695 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cc1 106644822 JBLCDRBCYORZSA-LZWOXQAQSA-N 346.427 1.680 0 40 EDAB O=C(CN1CCN(c2ccccn2)CC1)NCc1ccccc1F 25106477 BNRYGEHYIBCRGV-UHFFFAOYSA-N 328.391 1.659 0 40 EDAB O=C(CN1CCN(c2ccccc2)CC1)NC(=O)NCc1ccco1 34873202 WFAIUAJKINBKML-UHFFFAOYSA-N 342.399 1.428 0 40 EDAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCOCC1)c1ccccc1 20503783 QGUYIDFZAIJSHF-GBESFXJTSA-N 343.471 1.459 0 40 EDAB biogenic,in-vitro C[C@@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1ccccc1 9839344 AHDCSELEVQFMEN-GFCCVEGCSA-N 337.339 1.846 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccccc32)C1 35524840 LCCPHAIIFTUNKS-CYBMUJFWSA-N 346.383 1.214 0 40 EDAB COc1ccccc1OCCC(=O)N1CCC[C@@H](c2nncn2C)C1 48234239 IZFURYTUKSZMQP-CQSZACIVSA-N 344.415 1.999 0 40 EDAB COc1ccc(OC)c2c1CN(C(=O)NC[C@@H]1CCCO1)C[C@H]2O 48286701 GBAJIIDAZNVPMH-WCQYABFASA-N 336.388 1.441 0 40 EDAB C[C@H](C(=O)NCc1cccc(OCc2ccccn2)c1)S(C)(=O)=O 48226534 DSLSVBBAWBAVIN-CYBMUJFWSA-N 348.424 1.710 0 40 EDAB CCOc1ccc([C@@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 48286682 AODVDHXWRPKBPV-DGCLKSJQSA-N 326.418 1.633 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2cnn(C)c2)C(=O)OC)cc1 58129561 AEDACWUNLCJEGX-AWEZNQCLSA-N 345.399 1.581 0 40 EDAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420062 HPFWDUDMFYFZEJ-AHXJXLJNSA-N 330.384 1.192 0 40 EDAB O=C1CN(S(=O)(=O)c2ccccc2)C[C@H]2c3ccccc3CCN12 36071041 PEYGAOHNSLHCPZ-KRWDZBQOSA-N 342.420 1.817 0 40 EDAB NS(=O)(=O)N1CCC(C(=O)Nc2cccc3ncccc23)CC1 44897471 BPNSQAKPBHEUIH-UHFFFAOYSA-N 334.401 1.089 0 40 EDAB CC(=O)Nc1nc(C(=O)NC[C@@H](C)Cn2nc(C)cc2C)cs1 44953410 MVZPOAJCTJJAPX-SECBINFHSA-N 335.433 1.981 0 40 EDAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCCC2)n1 44901657 SIHFDHHIKPFICG-UHFFFAOYSA-N 331.347 1.680 0 40 EDAB C[C@H](C(=O)N1CCCC1)S(=O)(=O)Cc1noc(C(C)(C)C)n1 44938713 ZMIWWMFURWZPLL-SNVBAGLBSA-N 329.422 1.293 0 40 EDAB C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 44917625 RWWUESYLWUDOIH-CYBMUJFWSA-N 348.428 1.377 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C(C)=C\C(=O)O)cc1 54362895 SUHDEBGJYIYSGB-KHPPLWFESA-N 340.401 1.687 0 40 EDAB COCCCNC(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 2179581 UIMBFQNAUUJBJQ-GFCCVEGCSA-N 348.424 1.890 0 40 EDAB CCNC(=O)NC(=O)CNc1cc(OC)ccc1Br 58330620 ZNNOGYGAJJUTKV-UHFFFAOYSA-N 330.182 1.715 0 40 EDAB OCCN(CCO)c1ncnc2c1cnn2-c1cccc(Cl)c1 20662188 BZLDXQPSGHEXLW-UHFFFAOYSA-N 333.779 1.260 0 40 EDAB CCOc1cccc2c1OCC(C(=O)NC[C@H]1CN(C)CCO1)=C2 58300063 FOWNIOHORPCZGY-HNNXBMFYSA-N 332.400 1.308 0 40 EDAB CCN1CCN([C@@H](C(=O)O)c2cn(C)c3cc(C(=O)O)ccc23)CC1 36354972 ACWKGKUWFBOLOU-MRXNPFEDSA-N 345.399 1.640 0 40 EDAB Cc1nc2cc(C3CCN(C(=O)c4cnn[nH]4)CC3)nn2c(O)c1C 100137386 CKGMWKGVSCFWBR-UHFFFAOYSA-N 341.375 1.190 0 40 EDAB CN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 45653706 RWWBSUOUPGTKQB-LLVKDONJSA-N 332.372 1.541 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(S(C)(=O)=O)c1 46016434 SIQOHCQMLQFKIK-AWEZNQCLSA-N 333.413 1.631 0 40 EDAB Cc1cc(C)c2cc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)[nH]c2c1 29807787 BWBHPOPLINVHPT-UHFFFAOYSA-N 340.383 1.599 0 40 EDAB NC(=O)[C@@H]1C[C@@H](O)CN1C(=S)Nc1ccc(Cl)cc1Cl 3414894 DKZJOQMGJJNNLE-XCBNKYQSSA-N 334.228 1.611 0 40 EDAB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccccc2F)C(=O)N1 10385088 CLQOEUCDQUZPOW-VXGBXAGGSA-N 340.376 1.318 0 40 EDAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NC(N)=O 3409508 HLRPJXRFLVCEBV-SECBINFHSA-N 331.401 1.820 0 40 EDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NC(=O)NC1CCCC1 3516429 MPCYRLZHNWPCDU-UHFFFAOYSA-N 331.294 1.636 0 40 EDAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)N2CCCCC2)c1C 12916378 YFKWEEVVWFOTHL-UHFFFAOYSA-N 339.461 1.904 0 40 EDAB CC(C)(C)n1cc(CNCCCN2C(=O)NC3(CCCC3)C2=O)cn1 48684459 RRASKSZCPLSTIY-UHFFFAOYSA-N 347.463 1.982 0 40 EDAB COCCN1C(=S)N(c2ccccc2F)[C@@H]2CS(=O)(=O)C[C@@H]21 9060740 XJBZZIAHBFHWPY-QWHCGFSZSA-N 344.433 1.045 0 40 EDAB Cn1ccnc1CN1CCN(Cc2ccc(N3CCCC3)nc2)CC1 93108544 QDZKUQXZUPDZGZ-UHFFFAOYSA-N 340.475 1.733 0 40 EDAB COCCCNC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccco1)CC2=O 49549005 POAFXPXFXKKSIP-LLVKDONJSA-N 344.367 1.647 0 40 EDAB CN(C)C(=O)CC1CCN(C(=O)Nc2ccn(CC(F)F)n2)CC1 96004862 KDXIHIZLJBZOGQ-UHFFFAOYSA-N 343.378 1.870 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)C[C@@H]1CCCO1 65405152 QQBISOPPBJBVCG-AAEUAGOBSA-N 345.848 1.939 0 40 EDAB Cc1cc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1 65457532 LBFVAFBRNVOEIU-UHFFFAOYSA-N 337.424 1.001 0 40 EDAB CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1)C1CC1 65562798 JYSCEHYMZBQUQF-ZDUSSCGKSA-N 344.433 1.510 0 40 EDAB Cc1ccccc1OC[C@H](O)CN1CCc2ncnc(N(C)C)c2C1 65537520 VHPDIZANTBYEJT-OAHLLOKOSA-N 342.443 1.649 0 40 EDAB CN(CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1COc2ccccc2O1 14124836 GVFXHKPBYDMQRB-GFCCVEGCSA-N 335.404 1.383 0 40 EDAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC2CC2)C1=O 14140751 YWGYDTPQABXZSV-QGZVFWFLSA-N 327.340 1.478 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NC1C2CC3CC(C2)CC1C3 14182789 FQWPIFNCTACHMZ-UHFFFAOYSA-N 345.443 1.792 0 40 EDAB CC(=O)N(C)c1nc(CN2CCN(Cc3nccn3C)CC2)cs1 65623892 VKXWWLQPOAFPDY-UHFFFAOYSA-N 348.476 1.177 0 40 EDAB O=S(=O)(Nc1nnc[nH]1)c1csc(-c2ccc(F)cc2)n1 65610221 KRFXZRSLUFOGDL-UHFFFAOYSA-N 325.350 1.868 0 40 EDAB CC(C)NC(=O)NC(=O)CSc1nnc2[nH]c3ccccc3n12 6503547 JLDLADAHBAKKDS-UHFFFAOYSA-N 332.389 1.537 0 40 EDAB CN1C(=O)C2(Cc3cccc(F)c3N3CCC[C@@H]32)C(=O)N(C)C1=S 6670037 XXWOASWWBLHYRW-GFCCVEGCSA-N 347.415 1.552 0 40 EDAB COc1cccc(-n2ccnc2SCc2nc(N)nc(N)n2)c1 14677911 NLOAKEKABASHLZ-UHFFFAOYSA-N 329.389 1.523 0 40 EDAB O[C@@H](COCc1cccs1)CN1CCN(c2nccs2)CC1 66349762 VUROTRBBPHTFPP-CYBMUJFWSA-N 339.486 1.904 0 40 EDAB COc1ccc(CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 66484622 MRBUMGMIKRBCCM-KRWDZBQOSA-N 346.427 1.478 0 40 EDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@H](c2ccccc2F)C1 66690225 WHYSQVIRVFSOIE-LRDDRELGSA-N 332.375 1.737 0 40 EDAB COc1cccc([C@@H]2CCCN2CC(=O)N2CCC(C(N)=O)CC2)c1 71793355 JBXPLZPYFQOVEW-KRWDZBQOSA-N 345.443 1.556 0 40 EDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)Cc1ccc(F)cc1F 71795971 MEZQXGMCZGDOIR-LLVKDONJSA-N 339.386 1.509 0 40 EDAB O=C(Cn1cccnc1=O)N1CCC[C@H]1c1cccc2c1OCCO2 66770482 JKNSJSXFFOUGSO-AWEZNQCLSA-N 341.367 1.378 0 40 EDAB COc1ncccc1C(=O)N1CCN(CCOc2ccccc2)CC1 71796252 KRSCJBLWZYPSEK-UHFFFAOYSA-N 341.411 1.927 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)N(CCO)Cc2ccccc2)CC1 71795540 QLSWWMNZOJBKRP-UHFFFAOYSA-N 333.432 1.401 0 40 EDAB CCOc1ccc(C(=O)[C@@H](C)n2cnc3c2c(=O)[nH]c(=O)n3C)cc1 27525426 OSRBPTCHCNVAEZ-SNVBAGLBSA-N 342.355 1.266 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1ncccn1)C2=O 6913217 YHJFHRKDOYBOHZ-UHFFFAOYSA-N 349.416 1.101 0 40 EDAB Cc1ccccc1C(=O)NCCS(=O)(=O)N1CCSCC1 71884330 WJINUUXJFYRCMZ-UHFFFAOYSA-N 328.459 1.103 0 40 EDAB Cc1ccc(C[C@H](C)NC(=O)CN2CCS(=O)(=O)CC2)c(C)c1 71888921 KBIJQBCPGDMLMJ-HNNXBMFYSA-N 338.473 1.081 0 40 EDAB CCc1nnc2n1CCN(C(=O)CCS(=O)(=O)c1ccccc1)C2 71864837 XECOJMHAAPIZHF-UHFFFAOYSA-N 348.428 1.047 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H]1Cn1cccn1 71866197 WXNLZGCYPJXRQW-AWEZNQCLSA-N 337.383 1.284 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCc1cnn(-c2ccccc2)c1 71829747 AKGJMEAJOVALGE-HOCLYGCPSA-N 340.427 1.917 0 40 EDAB CCOC(=O)CN(C)C(=O)CN1CCC[C@H]1c1cccc(OC)c1 71893058 QPTPNMHQBCEVIM-INIZCTEOSA-N 334.416 1.854 0 40 EDAB CCCn1nccc1NC(=O)NCCCN1CCC(C(N)=O)CC1 71831258 YEWDAMZRVNLBGK-UHFFFAOYSA-N 336.440 1.002 0 40 EDAB CNC(=O)CCN(C)S(=O)(=O)Cc1c(Cl)cccc1Cl 71904709 QFOAYFQKOGZXFT-UHFFFAOYSA-N 339.244 1.891 0 40 EDAB C[C@H](C(=O)N1CCOCC1)N1CCC[C@H](n2cnc3ccccc32)C1 69324783 HAKZVYYWMGUSKV-CVEARBPZSA-N 342.443 1.921 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 69451980 UBXCEJMZFKUPGN-QKKBWIMNSA-N 344.502 1.055 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1 69560127 JZCLDVCWUYGODB-UHFFFAOYSA-N 342.403 1.050 0 40 EDAB CCc1nnc(NC(=O)CCNC(=O)c2n[nH]c3ccccc23)s1 69589767 MKYKNDGGFPWWRF-UHFFFAOYSA-N 344.400 1.735 0 40 EDAB COC(=O)CN(Cc1cnn(C)c1)S(=O)(=O)c1cccc(C)c1 69630661 QRTPFQPDFGZWEF-UHFFFAOYSA-N 337.401 1.092 0 40 EDAB COc1ccc2cc(/C=C3/SC(=N)N(C(C)=O)C3=O)c(=O)[nH]c2c1 21596683 MQKBNZYWVUMTGS-HIBBYORESA-N 343.364 1.934 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)Nc3nccs3)C2)n1 69701391 WUXDNGGTNFCJAZ-CYBMUJFWSA-N 334.449 1.702 0 40 EDAB CC(C)CNC(=O)c1ccccc1NS(=O)(=O)C[C@H]1CCCO1 69739264 SVRRVVCGNQLISE-CYBMUJFWSA-N 340.445 1.993 0 40 EDAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCc2c(ncn2C)C1 69925061 HSBFCVJOOKPQGO-GFCCVEGCSA-N 342.399 1.212 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)c2ccc3c(c2)COC3)CC1 69928040 MLGVVRSOVGVKSK-QGZVFWFLSA-N 332.444 1.882 0 40 EDAB CN(C)[C@@H]1CCCN(C(=O)NCCNC(=O)Cc2ccccc2)C1 72274288 WCFMGZUWUYEFJL-MRXNPFEDSA-N 332.448 1.081 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(Cc2nccn2C)C1 84331615 VPNNVIXJTVTHJL-AWEZNQCLSA-N 329.452 1.132 0 40 EDAB COC(=O)C[C@H](c1ccc(C(=O)OC)cc1)c1c(O)cc(C)[nH]c1=O 72403259 GRMAEANYHGJSIW-CYBMUJFWSA-N 345.351 1.871 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CCC[C@H]2C(=O)Nc2cc(C)n(C)n2)nn1C 95979357 WYBDQXSEACZSMH-CHWSQXEVSA-N 344.419 1.764 0 40 EDAB O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@@H]1CCN(C2CC2)C1 95955382 VLVKRASDZHMFJN-SNVBAGLBSA-N 329.322 1.220 0 40 EDAB CC(C)[C@@H](O)CC(=O)N[C@H](c1ccc(F)c(F)c1)c1ncon1 95981256 YRYAGNFXGQQHHY-GXTWGEPZSA-N 325.315 1.960 0 40 EDAB C[C@H](C(=O)NCCC1=CCCCC1)N1CCc2nn(C)c(=O)cc2C1 76064717 QCECWPFGNNRCAX-CQSZACIVSA-N 344.459 1.534 0 40 EDAB CCCNC(=O)NC(C)(C)C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C 75138087 VKKRYHDZUYHEOO-QWHCGFSZSA-N 340.468 1.380 0 40 EDAB CCOc1ccc(NC(=O)[C@H](C)NC(=O)c2ccoc2)c(C(N)=O)c1 75143374 ZCOMDCZGGDGISN-JTQLQIEISA-N 345.355 1.534 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)N[C@H](CO)Cc3ccccc3)ccc21 75140854 SDUUASFBHJDUOE-AWEZNQCLSA-N 341.367 1.857 0 40 EDAB CCCc1nc(CN2CCN(C[C@H](O)c3ccccc3)CC2)no1 69899740 IRACNZKSKOFJOA-INIZCTEOSA-N 330.432 1.873 0 40 EDAB COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1COCCO1 69742038 FRXAQXKBSYVKRP-AWEZNQCLSA-N 331.771 1.870 0 40 EDAB CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)Nc1ccnn1C 548021975 SOUHGPYMKHBVGW-STQMWFEESA-N 349.414 1.230 0 40 EDAB Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC[C@@H](C(=O)O)NC1=O 20635185 IOPQGJXUECBLAM-QWRGUYRKSA-N 342.804 1.662 0 40 EDAB Cc1nc(CN(C)Cc2c(C)n(C)n(-c3ccccc3)c2=O)no1 65453066 VYHCFCBQDDKVFM-UHFFFAOYSA-N 327.388 1.808 0 40 EDAB CC[C@H]1CN(Cc2ccccc2)CCN1C[C@H](O)CN1CCCC1=O 75917715 UXEUSJVQDZAYJT-OALUTQOASA-N 345.487 1.566 0 40 EDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(F)cc1 71980113 OLKRMAKYJQPODC-AWEZNQCLSA-N 336.363 1.563 0 40 EDAB NC[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218500305 FFTOTBKRELNJLK-YESZJQIVSA-N 335.400 1.703 0 40 EDAB O=S(=O)(c1c(F)cccc1F)N1CCC2(CC1)OCCCO2 75156654 MBTRDRJVEBDHHV-UHFFFAOYSA-N 333.356 1.883 0 40 EDAB CCC(CC)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 47363063 SIHTYAHNFZFFQJ-UHFFFAOYSA-N 328.434 1.766 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H](Oc2cccnn2)C1 225454091 CKBCKFWMCGLFDI-CJNGLKHVSA-N 341.367 1.686 0 40 EDAB Cc1cc(-c2noc(CNC(=O)Cn3cnc4ccccc43)n2)no1 225811548 ZLLDQOPRDAJRHZ-UHFFFAOYSA-N 338.327 1.699 0 40 EDAB CSc1ncccc1C(=O)N1CCC(c2cc(C(N)=O)[nH]n2)CC1 225560523 YPOMDIULYHEXNO-UHFFFAOYSA-N 345.428 1.645 0 40 EDAB COCCN(C)C[C@@H]1CCCN1C(=O)c1sc2nccn2c1C 195547455 GNKGAMJPOCMQML-ZDUSSCGKSA-N 336.461 1.887 0 40 EDAB CN1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Cl)cc2)CC1 226749916 NDOUWWOYZRLPEB-OAHLLOKOSA-N 335.835 1.605 0 40 EDAB O=C(N1CCCC1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 96055060 CQNHOIKUOVSLAZ-DLBZAZTESA-N 330.432 1.573 0 40 EDAB Cn1cc(CN2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)cn1 96055194 PLPZOFLCLYPHJV-NVXWUHKLSA-N 344.415 1.376 0 40 EDAB CO[C@H]1C[C@@H](C(=O)NCc2ccc(OCC(F)(F)F)nc2)N(C)C1 583617461 UZNPQGJINHSDTL-RYUDHWBXSA-N 347.337 1.358 0 40 EDAB CC1(C)C(=O)N[C@@H]1C1CCN(S(=O)(=O)Cc2ccccc2)CC1 583651777 SHDMVRRFLPYXJV-OAHLLOKOSA-N 336.457 1.753 0 40 EDAB CCC(CC)n1ccc(C(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)n1 583618976 NWVYMXPAWNNRAV-MRXNPFEDSA-N 332.408 1.486 0 40 EDAB CCN1CCO[C@@H](CNC(=O)c2cncnc2N)[C@@H]1c1ccccc1 583620929 HQPMZJLSNPOEIX-HOTGVXAUSA-N 341.415 1.251 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)c3cccc4cn[nH]c34)CC2)S1 96426940 IFAVEHLADXEBGO-NSHDSACASA-N 329.429 1.812 0 40 EDAB Cc1nc(C)n(C[C@H]2CC[C@@]3(COCCN(Cc4ccco4)C3)O2)n1 96160668 IUDPEGIDSJSLEE-QZTJIDSGSA-N 346.431 1.938 0 40 EDAB COc1ccc(CN2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)cc1 96245260 RNCHKQMOCMMXFE-YOEHRIQHSA-N 326.400 1.524 0 40 EDAB O=C1NCCN(Cc2nnnn2-c2ccccc2)[C@@H]1c1cccs1 96443525 WZZMFOLMLHRFTO-OAHLLOKOSA-N 340.412 1.397 0 40 EDAB C[C@H]1CO[C@@H](CO)CN1CCOc1ccccc1Br 93793251 NLUVFVGWOYERPI-NWDGAFQWSA-N 330.222 1.910 0 40 EDAB COc1ncccc1CN1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 96038684 XBTKVXUVSVNPHR-VQIMIIECSA-N 345.443 1.597 0 40 EDAB O=C(N[C@H]1CCCn2ncnc21)N1CCO[C@@H](Cc2ccccc2)C1 96494022 SRMFQPZMTTVIFZ-HOTGVXAUSA-N 341.415 1.766 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 96042174 HKKSYCHNJIXMMS-YESZJQIVSA-N 340.383 1.460 0 40 EDAB CN(C)C[C@]1(O)CCCN(C(=O)Nc2cccnc2N2CCCC2)C1 585137360 UQAPACWSMMRDAT-GOSISDBHSA-N 347.463 1.602 0 40 EDAB CCS[C@@H]1CCCCN(C(=O)c2cccc(-n3[nH]nnc3=N)c2)C1 585131739 FFAWPRUUGXEAHP-CQSZACIVSA-N 346.460 1.823 0 40 EDAB CCOC(=O)[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)[C@@H](O)c1ccncc1 585128594 HEWRVIXQQGMKFY-IVFVNLKQSA-N 346.427 1.989 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CC([C@H](C)O)C3)C2)c1 585131140 MUWMHJAMZURQEI-HOTGVXAUSA-N 344.455 1.995 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@]2(C)CO)cc1 585114880 DFGJBNHBDCUSSY-BBRMVZONSA-N 327.446 1.490 0 40 EDAB Cn1ccnc1CN1CCOC[C@]2(CCN(c3ccccn3)C2)C1 96202243 IIEGGLVBABHVBF-GOSISDBHSA-N 327.432 1.544 0 40 EDAB O=C(N1CCOCC1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 96187936 YIWAULDJJYGWDB-OAHLLOKOSA-N 334.420 1.194 0 40 EDAB Fc1cccnc1OC[C@]12COC[C@H]1CN(CC1CCOCC1)C2 96109087 MPUMFSYNEINQOS-QAPCUYQASA-N 336.407 1.975 0 40 EDAB COc1ccc(N2CCC[C@@H](C(=O)NCCc3nccs3)C2)nn1 96232708 KGOBMIWKIZJOAZ-GFCCVEGCSA-N 347.444 1.517 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)no1 97953743 RVRYAVLMQQSDON-HRCADAONSA-N 329.356 1.829 0 40 EDAB O=C([C@H]1CN(Cc2ccsc2)Cc2ccnn2C1)N1CCOCC1 96188812 JPQVTEUTEOBQGM-HNNXBMFYSA-N 346.456 1.435 0 40 EDAB Cc1nc(CN2C[C@]3(CCN(c4ncccn4)C3)CC2=O)cs1 96239352 DTZPBGWMIDSVAK-MRXNPFEDSA-N 329.429 1.871 0 40 EDAB Cn1cccc1C(=O)N1CCC[C@@]2(CCCN2S(C)(=O)=O)C1 96215186 BCIHTTTVLPALHR-OAHLLOKOSA-N 325.434 1.055 0 40 EDAB CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc(F)cc1 96057844 MKVGLBHZZUORLH-LZLYRXPVSA-N 336.407 1.662 0 40 EDAB CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1nnc2ccccc2n1 252503356 VBYXGNUNVHOPKV-CYBMUJFWSA-N 345.428 1.407 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 257291832 QIUIVTBMNYVHJM-ZDUSSCGKSA-N 347.444 1.775 0 40 EDAB CO[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C[C@@]12CCCO2 257307183 SXNYZQWAELMPSL-HOTGVXAUSA-N 325.430 1.954 0 40 EDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NCc2ccncc2)c1 257283070 OWQQZGSTOASYMH-UHFFFAOYSA-N 349.394 1.833 0 40 EDAB CN(C)C(=O)[C@@H]1CN(Cc2ccncc2)CCN(C2CCOCC2)C1 257293365 QPDSIVJVDXEYHC-QGZVFWFLSA-N 346.475 1.083 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2cnc(C(C)C)nc2)CCO1 257251549 JRFCMFSJHPUYGR-CYBMUJFWSA-N 342.403 1.645 0 40 EDAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]21 257221994 DRLXHWTUIBPJGO-QLFBSQMISA-N 326.404 1.047 0 40 EDAB CCOC(=O)C(C)(NC(=O)c1ccc(Cl)cc1)C(=O)OCC 1615549501 QQVVNQXETYEOKC-UHFFFAOYSA-N 327.764 1.955 0 40 EDAB C[C@]12CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@@H]1C2(F)F 292927720 SULHDPUVIZLJCD-AAEUAGOBSA-N 330.356 1.451 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1Cc1cnn2c(C)cc(C)nc12 585279029 RZGARMXNFFPXML-SFHVURJKSA-N 345.447 1.463 0 40 EDAB COCc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@H]2C 585097430 LPISCKSRJDBBLC-NSHDSACASA-N 344.371 1.299 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)Cc2ccnn21 585095421 WUHFEKQLHRAZPE-MRXNPFEDSA-N 340.383 1.247 0 40 EDAB CNc1ncc(CN2CC[C@@](COc3ccc(F)cc3)(OC)C2)cn1 585279251 YIPGJGMLNXBBIX-GOSISDBHSA-N 346.406 2.327 0 40 EDAB O=C(COc1ncccn1)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 585279522 NQOCPNBPVYKMFB-HZPDHXFCSA-N 327.384 1.308 0 40 EDAB COCc1nnc2n1CCN(C(=O)Cc1cccc(F)c1)[C@@H](C)C2 585098314 TXMXNZGDQZPKIJ-LBPRGKRZSA-N 332.379 1.580 0 40 EDAB Cc1sc(=O)n(CC(=O)NCc2ccc(-n3ccnc3)nc2)c1C 65629898 SCWRTIITNRRXPF-UHFFFAOYSA-N 343.412 1.424 0 40 EDAB Cc1cc(C(=O)N[C@@H](C(=O)O)c2ccnn2C)c(C)n1[C@H]1CCOC1 1548453672 WHYKVIALFWJSEO-SWLSCSKDSA-N 346.387 1.356 0 40 EDAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)n1 72235365 ADCIGTBZKJHMCX-MRXNPFEDSA-N 330.436 1.962 0 40 EDAB C[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nnc2ccccn12 48374696 YVYUXKVPHKBMDR-LLVKDONJSA-N 334.343 1.196 0 40 EDAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)NCc2ccco2)C1 51055988 AYMVATCVJFNBHC-LSDHHAIUSA-N 335.448 1.913 0 40 EDAB CN1CCN(C2CCN([C@@H](C(N)=O)c3ccc(F)cc3)CC2)C1=O 75604103 CYFSPLIBKOAWHO-OAHLLOKOSA-N 334.395 1.184 0 40 EDAB Cc1cc(Br)cnc1NC[C@](C)(O)CN1CCOCC1 95429652 MIVAFUZJCVIDLQ-AWEZNQCLSA-N 344.253 1.648 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CC[C@H](Oc2cnsn2)C1 675007972 IHPVYZJQXKZQNZ-GXFFZTMASA-N 333.369 1.358 0 40 EDAB CCc1c(C)sc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C(N)=O 16247052 KOAYORSSLRVDCK-QCMRWSPLSA-N 334.397 1.385 0 40 EDAB CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 16637326 ZOQKRVIPJXKBOL-GFCCVEGCSA-N 328.434 1.621 0 40 EDAB C[C@H](C(=O)O)N1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 19080800 KEBNDKCJMGAHFD-DIFFPNOSSA-N 332.356 1.033 0 40 EDAB Cc1ccn2c(O)c(C(=O)NCc3ccc(F)cc3)c(=O)nc2c1 164576803 RZVXTDHWXDWBSQ-UHFFFAOYSA-N 327.315 1.778 0 40 EDAB COC(=O)[C@@H]1CCn2c(nnc2-c2cccc(S(C)(=O)=O)c2)C1 601045507 VVHVXTUEAIZOQQ-LLVKDONJSA-N 335.385 1.084 0 40 EDAB CCNC(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225545201 VUPWNXNXFLOHEE-UHFFFAOYSA-N 347.394 1.684 0 40 EDAB CCCn1c(N)c(C(=O)CSc2ccc(F)cc2)c(=O)[nH]c1=O 4414788 BKBLBWKAOYKJST-UHFFFAOYSA-N 337.376 1.643 0 40 EDAB CCc1ncnc(N2C[C@H]3CN(Cc4nnc(C)o4)C[C@@H]3C2)c1F 1888856895 VRMWSCBSJCLHAD-VXGBXAGGSA-N 332.383 1.438 0 40 EDAB COCCOc1ccc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)cc1 2037984329 XQSIXXPWWCPVKS-WMZOPIPTSA-N 348.443 1.391 0 40 EDAB COc1cc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCC2)C3)on1 1565544522 JNRILLWXOFPJPR-UHFFFAOYSA-N 347.415 1.938 0 40 EDAB CN(C)c1ncnc2c1CCN(C(=O)c1cc(C3CC3)on1)CC2 1565550243 VPKMSLFQSSWNKT-UHFFFAOYSA-N 327.388 1.649 0 40 EDAB O=C(Cc1ccc(F)cc1)NCc1nnnn1-c1ccc(F)cc1 9571039 DZERYUMKYSFKHY-UHFFFAOYSA-N 329.310 1.799 0 40 EDAB CC(C)C(=O)N[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055738738 NDQTWJRGIJPLEN-NSHDSACASA-N 331.372 1.827 0 40 EDAB CCC(CC)NC(=O)c1ncn2c1CC[C@@H](C(=O)NCCOC)C2 2055714586 KGYAASAWMGDZBN-GFCCVEGCSA-N 336.436 1.127 0 40 EDAB COCCC(=O)N[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 2055746015 ADFKMIDCOLYYFE-GFCCVEGCSA-N 335.404 1.357 0 40 EDAB Cc1nc([C@H]2C[C@H]3CCN(C(=O)c4csc(C)n4)C[C@H]3O2)n[nH]1 2055771526 FKZMZEZMCGDHRQ-RAIGVLPGSA-N 333.417 1.870 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC(COc2cccnc2)C1 1775972677 QTMJXIQOFXNXCX-UHFFFAOYSA-N 336.417 1.131 0 40 EDAB O=C(/C=C/c1cccs1)N[C@H]1CCN(c2nccn3cnnc23)C1 575414432 GPWQQMXVSYKIBS-PCAWENJQSA-N 340.412 1.594 0 40 EDAB O=C(c1cccc(-n2cccn2)c1)N1CCN(c2cnsn2)CC1 585148682 AXCPRLRNUUDDPG-UHFFFAOYSA-N 340.412 1.686 0 40 EDAB Nc1nonc1CC(=O)N1Cc2ccccc2OC2(CCOCC2)C1 12121974 BRILKJMPDNTCCH-UHFFFAOYSA-N 344.371 1.165 0 40 EDAB COc1ccccc1OCC(=O)N1CCN(Cc2cc(C)no2)CC1 40475601 JMLJFSCJTGLREG-UHFFFAOYSA-N 345.399 1.715 0 40 EDAB CC(C)C[C@@H](NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)O 100744928 XYCDTEXPPATTQV-MELADBBJSA-N 347.415 1.476 0 40 EDAB O=C1CN(C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)CCN1 40540936 PBUWJIFBCCODFB-UHFFFAOYSA-N 330.319 1.977 0 40 EDAB Cc1c(C(=O)N[C@H]2CCCCNC2=O)cnn1-c1ccccc1F 40522139 OXHMMONZQKKBOU-AWEZNQCLSA-N 330.363 1.718 0 40 EDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1ccc(Cl)s1 40505288 TVGGXSWVUGJBJD-NEPJUHHUSA-N 344.864 1.869 0 40 EDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1 20762535 ULHHAEMVANYULZ-INIZCTEOSA-N 344.371 1.248 0 40 EDAB biogenic Cn1nnc(NC(=O)c2cccc(I)c2)n1 342346 DXRWHGLGPXBETL-UHFFFAOYSA-N 329.101 1.067 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 53667226 MQUZBOFOVRYLKI-UHFFFAOYSA-N 334.800 1.587 0 40 EDAB Cc1cc(CN(C)C(=O)/C=C/c2ccc(OCC(N)=O)cc2)no1 42046500 KWOKWEQRMMGKMM-VMPITWQZSA-N 329.356 1.519 0 40 EDAB Cn1cc(N2CC[C@@H](N3CCC[C@H](Cc4nccn4C)C3)C2=O)cn1 104320973 WQNINEUDOUXFFB-GDBMZVCRSA-N 342.447 1.214 0 40 EDAB O=C(O)[C@H]1CCCCN1C(=O)Cn1cc(Br)ccc1=O 37437813 WKFCNIKLTDRODY-SNVBAGLBSA-N 343.177 1.077 0 40 EDAB CNC(=O)c1cncc(/C=C/C(=O)NCCCN2CCC[C@H](C)C2)c1 72277424 JZQVDHIZFLDCRF-LFAOLKIESA-N 344.459 1.693 0 40 EDAB COc1cccc2c1OC[C@@H](C(=O)N1CCn3c(C)nnc3C1)C2 71185273 DXCRBTHHXLQNOW-ZDUSSCGKSA-N 328.372 1.189 0 40 EDAB Cc1noc(C)c1CNC(=O)CN1CCC[C@@H](c2ccnn2C)C1 72270372 XYURVGLEJBERFP-CQSZACIVSA-N 331.420 1.521 0 40 EDAB COc1c([C@H]2CCCN2CC(=O)NC2CCOCC2)c(C)nn1C 72253820 IKFPLOOQIKSUTK-CQSZACIVSA-N 336.436 1.169 0 40 EDAB Cc1nc(NC(=O)CN2CCn3c(nnc3C3CC3)C2)sc1C 78787913 WOSMPNITKQECCC-UHFFFAOYSA-N 332.433 1.683 0 40 EDAB CC(C)c1nc(C(=O)N[C@H]2CC(=O)N(C)C2)nn1-c1ccccc1F 78878186 ZXJIMAMKHNJMJT-NSHDSACASA-N 345.378 1.490 0 40 EDAB Cc1cc(CNC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)no1 78964476 BBYDDFNTIJMMQL-ZDUSSCGKSA-N 334.420 1.963 0 40 EDAB COC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)c1ccc(OC)c(OC)c1 1747867 AFQQVRYXOYXHAF-CABCVRRESA-N 340.328 1.413 0 40 EDAB CN1CCN(C(=S)NC(=O)c2cncc(Br)c2)CC1 23467660 MKUKLBIRCSXNQG-UHFFFAOYSA-N 343.250 1.106 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c(C)c1 7939658 QAXKIBAOMJAANN-YBSJNODJSA-N 343.379 1.983 0 40 EDAB CCOC(=O)NC12C3[C@@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 103107972 MPHRYCFTYHKDSR-NJSOYJDQSA-N 342.189 1.113 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN([C@H](C)C(=O)NCc3ccco3)C2)n1 106786957 ODNLAMNVIBVXQV-CJNGLKHVSA-N 345.447 1.905 0 40 EDAB OC[C@@H]1CCCN1c1cc(NC[C@H](O)Cc2ccccc2)ncn1 106906044 NZQLFGPXOXULEK-JKSUJKDBSA-N 328.416 1.453 0 40 EDAB COc1ccc(OC[C@@H](O)CN2CCN(c3nccs3)CC2)cc1 25306840 INFGHGKAVVTSLB-AWEZNQCLSA-N 349.456 1.714 0 40 EDAB CN(c1nc(N)c2ccccc2n1)[C@H]1CCN(CC(F)(F)F)C1=O 95449389 GUVDCXDQDFRUFX-NSHDSACASA-N 339.321 1.811 0 40 EDAB O=C(NCCC(=O)N1CCOCC1)[C@H]1CCCN1Cc1ccccc1 57153845 HHOPETAQQNJXMK-QGZVFWFLSA-N 345.443 1.016 0 40 EDAB Cc1ccc(-n2c(O)nc3nc(-n4ccnc4)ncc3c2=O)c(C)c1 57352010 CLOUCRADJNXYPQ-UHFFFAOYSA-N 334.339 1.684 0 40 EDAB Cc1cnc(CN2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)cn1 84258422 BSZOOCIDVBLKSE-INIZCTEOSA-N 341.463 1.497 0 40 EDAB CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccnc(N(C)C)c1)CC2 97198796 OBXDZAAHOZARQY-ZDUSSCGKSA-N 328.420 1.607 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)no1 27036537 JVQPLRVZVUEHJY-MNOVXSKESA-N 344.371 1.992 0 40 EDAB CCN1CCC[C@@H](CNC(=O)Cn2c(=O)n(C)c3ccccc32)C1 58135707 QVCGSGXNINQWOH-AWEZNQCLSA-N 330.432 1.188 0 40 EDAB C[C@@H](c1cccs1)N(C)C(=O)Cn1nnn(-c2cccs2)c1=O 44892997 WHOHNUNIQAMEJR-JTQLQIEISA-N 349.441 1.772 0 40 EDAB O=C1[C@H](N[C@@H]2CCc3ncnn3C2)CCCN1c1cccc(F)c1 115542797 RRSXVGZULXAMFJ-UKRRQHHQSA-N 329.379 1.517 0 40 EDAB CC(=O)N1CCN(CCNC(=O)c2cc(Cl)c(Cl)n2C)CC1 44952392 RSZYEWUNDQCQKK-UHFFFAOYSA-N 347.246 1.226 0 40 EDAB CCOc1ccc(S(=O)(=O)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 44947571 HSKINZWPZQLYBM-JSGCOSHPSA-N 341.429 1.543 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NCc3ncc(C)o3)CC2=O)cc1 72306755 PCMXIDXYSXOTFT-LBPRGKRZSA-N 329.356 1.661 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccnc(-n3cncn3)c2)n1 58329658 MILWCMHWOVLORV-GFCCVEGCSA-N 339.403 1.542 0 40 EDAB Cn1cnc(S(=O)(=O)N[C@H]2CCOc3ccccc32)c1Cl 27957388 PFSPQIRUNISSDG-JTQLQIEISA-N 327.793 1.876 0 40 EDAB C[C@H](NC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1)c1nncn1C 58417974 BRSAQQPJXZRQCS-CCJARXIYSA-N 327.388 1.210 0 40 EDAB COc1ccccc1[C@H](NC(=O)NC[C@H]1CCOC1)c1nccn1C 48284401 VVNSEXTUPDDZCP-CJNGLKHVSA-N 344.415 1.854 0 40 EDAB O=C(NC1CCN(C2CC2)CC1)C1=NN(c2ccccc2)C(=O)CC1 48238004 VQHZDKKXODULNV-UHFFFAOYSA-N 340.427 1.912 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)Nn2cnc3ccccc32)c1 12783449 BDORXAMTXOKOEK-UHFFFAOYSA-N 344.396 1.637 0 40 EDAB C[C@H](C[C@H](O)c1ccco1)NS(=O)(=O)N(C)C1CCOCC1 95462050 ZUCRXNYAXPOYQS-YPMHNXCESA-N 332.422 1.037 0 40 EDAB O=C(CNC(=O)C1CCCCC1)Nc1ccc(-n2cncn2)nc1 23055518 LXRDIRBNITWTOD-UHFFFAOYSA-N 328.376 1.297 0 40 EDAB CCOc1cccc(CCNC(=O)N[C@@H]2CCc3[nH]ncc3C2)n1 95422028 XQGJHVYNJJOADH-CQSZACIVSA-N 329.404 1.603 0 40 EDAB CCNC(=O)CN1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 28966554 HSCFODWERMKZJU-UHFFFAOYSA-N 346.406 1.734 0 40 EDAB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 36833357 SAHKCXHTWJQWOH-UHFFFAOYSA-N 348.336 1.929 0 40 EDAB CC(C)N1C[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1=O 46355439 RVKAPPRWXGDWSM-GOEBONIOSA-N 334.391 1.983 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@H](C)C1 47010341 DUAJHEBREBZVGJ-YNEHKIRRSA-N 338.452 1.931 0 40 EDAB O=C(CCNS(=O)(=O)C1=Cc2ccccc2CC1)N1CCCC1 12933759 WJMJZCYAPRHVAJ-UHFFFAOYSA-N 334.441 1.906 0 40 EDAB CN(CCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 63117503 NDGLXFULVIYQKO-UHFFFAOYSA-N 325.453 1.844 0 40 EDAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@H]3C1=O 5163568 YYCUEGFWOZNMGC-OAFZBRQQSA-N 327.380 1.920 0 40 EDAB NC(=O)OCCNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 97371404 UYCXACNGSGOJCS-MNOVXSKESA-N 327.178 1.764 0 40 EDAB Cc1ccc(C(=O)O)cc1NC(=O)CSc1nc(N)cc(=O)[nH]1 13945884 VMVBFAPCOSAZJD-UHFFFAOYSA-N 334.357 1.090 0 40 EDAB CCCNC(=O)CN(Cc1ccccc1)[C@H](C)CN1CCOCC1 65504996 CJNPPKYMIKHTHQ-QGZVFWFLSA-N 333.476 1.736 0 40 EDAB CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCc2c(F)ccc(F)c2C1 84439625 VOQMDJLVNWTZLV-SNVBAGLBSA-N 346.399 1.856 0 40 EDAB COc1c(NC[C@H](C)N)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 22056113 WMDWMECNQOEVCJ-QMMMGPOBSA-N 349.362 1.941 0 40 EDAB in-vitro CC[C@H]1CCCCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 4846622 VUNVJFCOXDYOQF-LBPRGKRZSA-N 336.413 1.622 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C)cc2O)cc1 26663814 WUXVTCFSWWUVAZ-UHFFFAOYSA-N 348.424 1.717 0 40 EDAB COc1cc([C@H]2C=C(C(=O)O)Nc3ncnn32)cc(OC)c1OC 4942695 IINSZLUGVFWTSG-SNVBAGLBSA-N 332.316 1.287 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1 7323350 WJUQZWZXWRJEFT-UHFFFAOYSA-N 334.353 1.373 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)s1 67879617 AHEWRORPEWYHQM-NEPJUHHUSA-N 345.490 1.841 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)c3ccccc3-n3cnnn3)C2)c1 71870922 MWZSSLFXTHLWJQ-AWEZNQCLSA-N 337.387 1.645 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1C[C@@H](O)COc1ccc(F)cc1 71855276 ZWDVZWVLFRHRIN-CYBMUJFWSA-N 336.363 1.820 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)CN1CCCC[C@@H]1Cn1cncn1 71878719 KVPCVLYFLQZQHO-QGZVFWFLSA-N 345.422 1.930 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(-n2nccn2)cc1 68544926 LTJXXHIQSJQGFB-NEPJUHHUSA-N 330.392 1.692 0 40 EDAB CCN(CCNC(=O)N1CCC(C(N)=O)CC1)C(=O)OC(C)(C)C 71804034 SJEQGKYGJBQYGE-UHFFFAOYSA-N 342.440 1.150 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@@H]2Cn2cccn2)ccc1=O 71866214 WPTWCSRTGFJNLU-CQSZACIVSA-N 329.404 1.545 0 40 EDAB CCOc1ncc(C(=O)N[C@@H](C)CN2CCOC2=O)cc1Cl 95395657 VPJKHJQSQYVHAR-VIFPVBQESA-N 327.768 1.704 0 40 EDAB O=C(CNS(=O)(=O)Cc1cccc(F)c1)NCc1ccccc1 68879631 DKSGHIWRBHWUCR-UHFFFAOYSA-N 336.388 1.562 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1C 83836731 DBLHTVHAIIFAOY-LSDHHAIUSA-N 335.429 1.456 0 40 EDAB CNC(=O)c1ccc(CNC[C@@H]2CCO[C@@H]2c2cnn(C)c2)cc1 83882295 AELDUHZWMMKEBR-RDJZCZTQSA-N 328.416 1.647 0 40 EDAB COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cccc2c1OCCO2 71908088 BMDLPKVFTQWYMK-ZDUSSCGKSA-N 349.383 1.642 0 40 EDAB NC(=O)COc1ccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)cc1 70018298 VYJWUVFIZUOXPJ-OAHLLOKOSA-N 342.399 1.442 0 40 EDAB CN(C)C[C@H](O)Cn1cc(NC(=O)Nc2ccc3c(c2)CCC3)cn1 70040591 OVPPEYQQGUVLGG-KRWDZBQOSA-N 343.431 1.938 0 40 EDAB CC1CCN(C(=O)[C@H](C)NC[C@@H]2CCO[C@@H]2c2cnn(C)c2)CC1 84697916 QMYARIMBXRUSCJ-ZOBUZTSGSA-N 334.464 1.734 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2cnc(N3CCCC3)nc2)CC1 69349817 LXXANYXTPXHCDQ-OAHLLOKOSA-N 333.480 1.259 0 40 EDAB O=C(CNC(=O)C1CC1)NCCc1ccccc1Br 69384494 HTLOKWVYZNBCCZ-UHFFFAOYSA-N 325.206 1.634 0 40 EDAB O=C(NCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 69485043 BFBQBLDMCWVJGL-UHFFFAOYSA-N 339.273 1.649 0 40 EDAB CC(C)(NC(=O)CCN1CCOC1=O)c1ccc2c(c1)OCCO2 69440889 SDJMZRCREFVGOZ-UHFFFAOYSA-N 334.372 1.651 0 40 EDAB CN(Cc1ccccn1)[C@H]1CO[C@@]2(CCN(Cc3cncn3C)C2)C1 306128205 GUCJFYMYHMPERK-MJGOQNOKSA-N 341.459 1.681 0 40 EDAB C[C@H]1CCCN1C1CCN(C(=O)CN(C)[C@H]2CCSC2)CC1 110699152 RKRWISZLPPQKMZ-HOCLYGCPSA-N 325.522 1.899 0 40 EDAB COc1cc(Cl)c(C)cc1NC(=O)N[C@@H]1CCS(=O)(=O)C1 69538270 HADWPQPAGFBHCS-SECBINFHSA-N 332.809 1.966 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)N(C)Cc1ccco1 69709076 FIFJLNFOMDUYKP-SJORKVTESA-N 333.432 1.713 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)Nc1ccc(Cl)cc1 69813202 YKQSICGOHSTOLU-GFCCVEGCSA-N 338.795 1.199 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H](CN[C@H]2CCCCNC2=O)C1 69873674 VPTBMXWJIHONIO-KBPBESRZSA-N 325.453 1.892 0 40 EDAB CCOCCN1CCN(CC2CCN(C(C)=O)CC2)C[C@H]1CC 69973937 MMSOJRSZEQIEPS-GOSISDBHSA-N 325.497 1.678 0 40 EDAB O=C(CCCNc1nc(Cl)nc2[nH]cnc12)NCc1ccccn1 8992294 CDFQIWWHROOYJC-UHFFFAOYSA-N 345.794 1.910 0 40 EDAB CCc1nn(C)cc1CN1CCN(C(=O)Cc2c(C)noc2C)CC1 97033893 DRTZDHQRKQWCTH-UHFFFAOYSA-N 345.447 1.474 0 40 EDAB Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(=O)[nH]n2)cc1 98014102 SAHIZHJTQVNQOZ-YOEHRIQHSA-N 327.384 1.976 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1 95971096 RNJJOCYRQJWPHV-QGZVFWFLSA-N 329.444 1.464 0 40 EDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)Nc1cccnc1 95949454 GHWUGCAWXPAPGP-OAHLLOKOSA-N 326.335 1.938 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)c3ccc(NC4CC4)nc3)CCO2)n1 89289787 DBAHLIITMYXILH-CYBMUJFWSA-N 342.403 1.550 0 40 EDAB CN(C)C1CCN(C(=O)CCn2cnc3sccc3c2=O)CC1 89314065 FADKRDLKQMUJJP-UHFFFAOYSA-N 334.445 1.401 0 40 EDAB CN1C(=O)Cc2cc(NS(=O)(=O)c3ccc4c(c3)OCO4)ccc21 74983647 YFMGTKFOPPKJKO-UHFFFAOYSA-N 346.364 1.735 0 40 EDAB Cc1nc(SCC(=O)N2CCCCCC2)sc1CC(N)=O 89562707 SPXIUXYDBWYXRH-UHFFFAOYSA-N 327.475 1.974 0 40 EDAB CCc1nnc(NC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)s1 75138340 OBGGTMHLMOSMIA-UHFFFAOYSA-N 332.389 1.935 0 40 EDAB Cc1cnc2c(S(=O)(=O)N[C@@H](CC(N)=O)C3CC3)cccc2c1 75147520 WOMUGSGXOQJNFK-ZDUSSCGKSA-N 333.413 1.476 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cccc3cn[nH]c23)C1 89808093 FCKLTBLJBATIOD-AWEZNQCLSA-N 326.400 1.941 0 40 EDAB O=C(NCc1nnc2n1CCC2)N1CCC(CN2CCCC2)CC1 89819097 HGGCHQTVHSIHEB-UHFFFAOYSA-N 332.452 1.242 0 40 EDAB CN(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)C(=O)c1ccc(C(=O)O)cn1 1548454019 WYSQBFSNSVFYRT-MJVIPROJSA-N 331.372 1.157 0 40 EDAB NC(=O)c1cc(C(=O)N2CCN[C@H](c3ccc(Cl)cc3)C2)c[nH]1 1548479194 RXPLMQCAXSWBJW-AWEZNQCLSA-N 332.791 1.554 0 40 EDAB Cn1cc(N2CC[C@H](Nc3cnn(CC(F)(F)F)c3)C2=O)cn1 126255396 JDJZQKTXPAZGTN-NSHDSACASA-N 328.298 1.396 0 40 EDAB Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)c1cc(C(=O)O)co1 516179047 VLAFLNXDGQUBHD-ZETCQYMHSA-N 328.346 1.665 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2c[nH]nc2C)n1 72379649 RCJQQPWXYYFMOD-OAHLLOKOSA-N 328.376 1.122 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)[C@@H](N2CCC(N(C)c3ccccc3)CC2)C1 79404182 MWXZCIWSPROVKE-WBAXXEDZSA-N 332.444 1.900 0 40 EDAB O=C(CN1CCN(CC(F)(F)C(F)F)CC1)NCc1ccccn1 79311778 LVIXDKJFFCYBDQ-UHFFFAOYSA-N 348.344 1.216 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)N2CCSCC2)[C@@H]1c1cccc(F)c1 72241805 PXXALPJRLFBXEG-LSDHHAIUSA-N 338.404 1.299 0 40 EDAB CC[C@@H]1CCCCN1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 42947903 OEHGAAUEGACVFY-CQSZACIVSA-N 339.461 1.851 0 40 EDAB NCC(=O)N(C1CC1)C1CCN(C(=O)OCc2ccccc2)CC1 79392996 RPDBNWYRIOGGDA-UHFFFAOYSA-N 331.416 1.737 0 40 EDAB CN(C)C(=O)c1nnn(-c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)n1 71000441 IRYJIUWRYRSDOF-LBPRGKRZSA-N 340.387 1.659 0 40 EDAB Cc1cc(S(=O)(=O)Nc2cc(S(N)(=O)=O)ccc2C)c(C)o1 182780408 OIJIYKMNSFUWKF-UHFFFAOYSA-N 344.414 1.653 0 40 EDAB Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cnn(C(C)C)c1 72239158 QGQZHFKWLXCMEV-UHFFFAOYSA-N 325.438 1.635 0 40 EDAB Cc1cnn(CCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 36614496 BVCZXYCDUWQZRM-UHFFFAOYSA-N 348.428 1.297 0 40 EDAB CCC[C@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 30755295 VVOGUTNCRKCHCD-LBPRGKRZSA-N 345.440 1.743 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 72375381 TYHFOTQKZVPTIJ-CQSZACIVSA-N 340.387 1.415 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1nc(-c2ccccc2)no1 41151961 CUCNYJPZNVYMNQ-UHFFFAOYSA-N 334.357 1.820 0 40 EDAB Cc1cc(C)cc(OCCC(=O)N(C)CCNS(C)(=O)=O)c1 69841644 RKXDDZCRBJGDTB-UHFFFAOYSA-N 328.434 1.080 0 40 EDAB CS(=O)(=O)N[C@H](CC(=O)N1CCCC1)c1ccc(Cl)cc1 225951968 OUTLYXRIFSBAJZ-CYBMUJFWSA-N 330.837 1.943 0 40 EDAB C[C@@H](CS(C)(=O)=O)NC(=O)c1c[nH]nc1-c1cccc(Cl)c1 87357915 KQAOFBCWPRIPLY-VIFPVBQESA-N 341.820 1.893 0 40 EDAB COc1cccc(C(=O)Nc2cnc(-n3cccn3)nc2)c1OC 224242584 FIHOMEALAMIXBK-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 225654896 FMJDCYGHTXSOJC-PLPKTUSISA-N 340.379 1.601 0 40 EDAB Cc1cnc(C)c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 195563650 AHGRAKPRFZEJBG-INIZCTEOSA-N 325.416 1.442 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)NCc1c(F)cccc1F 96230954 DWOAMSJMEHXXIA-UHFFFAOYSA-N 330.294 1.386 0 40 EDAB Cn1nnc2c1CCN(C(=O)Cc1ccccc1)[C@H]2COCC1CC1 96045278 SHLTUUSLWCIVQL-KRWDZBQOSA-N 340.427 1.910 0 40 EDAB CCOc1ccc([C@H](N)c2n[nH]c(Cn3cccn3)n2)cc1OCC 95534554 YKLWCHHTJMWCLL-INIZCTEOSA-N 342.403 1.895 0 40 EDAB CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(-n3cnnn3)cc2)C1(C)C 96418935 XYTHYXYESWHZOR-HZPDHXFCSA-N 343.431 1.867 0 40 EDAB CCC(=O)N1CCOC[C@]2(CC[C@H](CN(C)Cc3ccco3)O2)C1 96063510 ARSBHJOKYXRHHA-AEFFLSMTSA-N 336.432 1.898 0 40 EDAB O=C(Cc1ccco1)N1CCOC[C@@H]1c1nccc(N2CCCC2)n1 96215018 MYIVPNOSGKDZCZ-OAHLLOKOSA-N 342.399 1.812 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1ccco1)C2 96238089 MAWSEMFEKVHLAD-QGZVFWFLSA-N 345.424 1.904 0 40 EDAB COc1cnc(NC(=O)CN2CCN(c3ccccn3)CC2)s1 580099814 YNYANYARKAEFSC-UHFFFAOYSA-N 333.417 1.307 0 40 EDAB CC(C)[C@H]1NC(=O)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 91689947 JGHZAQPHKHNYKI-CQSZACIVSA-N 339.436 1.369 0 40 EDAB COC[C@H]1CN(C(=O)c2ccc(C)nc2)Cc2nnn(CC3CC3)c21 96045579 MWAYNBYVTCHCAJ-OAHLLOKOSA-N 341.415 1.778 0 40 EDAB CS(=O)(=O)CC1(CC(=O)Nc2n[nH]c3cccc(F)c23)CC1 96446264 ZYDMQUAQKVBCOC-UHFFFAOYSA-N 325.365 1.855 0 40 EDAB CC(C)c1ccccc1S(=O)(=O)N[C@@]1(CC(=O)O)CCOC1 581998667 RHXGXHDUKNWQLU-OAHLLOKOSA-N 327.402 1.722 0 40 EDAB CCN(C)c1ccnc([C@H]2COCCN2C(=O)COC2CCCC2)n1 96216731 RLKNIBBWGPBIJB-OAHLLOKOSA-N 348.447 1.792 0 40 EDAB Cc1cc([C@](C)(O)CNC(=O)c2ccnc(-n3cncn3)c2)c(C)o1 96437501 JOCKHXJBCJMZFI-QGZVFWFLSA-N 341.371 1.510 0 40 EDAB CC(C)(C)S(=O)(=O)CC(=O)NCc1cc(=O)c2ccccc2[nH]1 585138700 JZWAKOYZGCKDDI-UHFFFAOYSA-N 336.413 1.358 0 40 EDAB Cn1cnc2cncc(C(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)c21 585122150 OQGAEDNJDLJQFF-ZDUSSCGKSA-N 341.415 1.347 0 40 EDAB C[S@](=O)Cc1ccc(CNC(=O)N2CCC[C@H](C(=O)O)C2)cc1 602094802 WUYADKDCZMYHNV-PSLXWICFSA-N 338.429 1.571 0 40 EDAB C[C@@H]1c2nc(C(=O)N3CCOCC3)cn2CCN1CC1CCOCC1 253592701 XQJCUOVUQKJRES-CQSZACIVSA-N 348.447 1.159 0 40 EDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1C(C)=CCC[C@@H]1C 253370656 UISCNGPLOSXQIM-XHSDSOJGSA-N 342.505 1.604 0 40 EDAB CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 253489675 FZPDGWWZFHTUKH-MJBXVCDLSA-N 337.445 1.738 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)no1 257215701 CRGWYZGYVUXTMH-JTQLQIEISA-N 338.389 1.129 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2Cc2ccnc(N3CCCC3)n2)n1 257238928 HNDUPGBUHLWTTB-HNNXBMFYSA-N 328.420 1.682 0 40 EDAB CC[C@H](C)[C@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 263585549 JYMAHYMXWBVPRI-FRQROOTJSA-N 345.443 1.345 0 40 EDAB biogenic CC[C@@](C)(OC)C(=O)N1CCC(N2CCC[C@H]2C(=O)OC)CC1 1615587119 WIKWLFLILONENB-WMLDXEAASA-N 326.437 1.430 0 40 EDAB CCn1cnnc1CNS(=O)(=O)[C@H]1Cc2ccccc2[C@@H]1OC 1615623264 RUIHDTSODZIHKK-ZFWWWQNUSA-N 336.417 1.030 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)NCc1ccn(C(C)C)n1 1615615862 SQABAJVGOHFPOK-SFHVURJKSA-N 328.416 1.889 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)O)c1 647928666 RLEIRPZGCNAJCO-CQSZACIVSA-N 334.397 1.673 0 40 EDAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccccn1 390829890 HIQZYIBYHXSFKM-VIFPVBQESA-N 325.294 1.728 0 40 EDAB Cn1ccc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3F)C2)n1 585275287 BZTASECGKCRQHK-KRWDZBQOSA-N 333.363 1.005 0 40 EDAB CCc1n[nH]cc1C(=O)N1CC[C@@](O)(COc2cccc(F)c2)C1 585277783 PDELDJIVSLBJNT-KRWDZBQOSA-N 333.363 1.767 0 40 EDAB CS(=O)(=O)NCC[C@@H]1CN(Cc2ccccc2)Cc2ccnn21 585112004 GPKSVKHSYNMOBE-MRXNPFEDSA-N 334.445 1.379 0 40 EDAB CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)c2nccn2C)C1 585276412 JOCIXGFGAVGITA-KRWDZBQOSA-N 333.363 1.869 0 40 EDAB O=C(NCCN1CCOCC1)NCc1ccc(-c2ccn[nH]2)cc1 65608245 HUKCMOBBECELOE-UHFFFAOYSA-N 329.404 1.208 0 40 EDAB CN1CCN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC1 69382561 YHAZJLJVPOPIMO-UHFFFAOYSA-N 340.309 1.069 0 40 EDAB C[C@H](O)CN1CCC(CN(C)CCC(=O)NC2CCCC2)CC1 70039685 SKDYSMCUIIUKOD-HNNXBMFYSA-N 325.497 1.460 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)/C=C/c1cccnc1 70007166 LLJFACSCMQZBOI-ROJDOSBLSA-N 330.432 1.154 0 40 EDAB Cc1cccn2cc(CNC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)nc12 71893397 BNVRTPBFJPHGMZ-DYVFJYSZSA-N 344.440 1.713 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72268916 QMBKXVNJXWUULS-CABCVRRESA-N 332.400 1.129 0 40 EDAB Cc1cc(Br)ccc1C(=O)N1CCO[C@H](C(=O)O)C1 43702590 RPEFVNAXAQQGBU-NSHDSACASA-N 328.162 1.683 0 40 EDAB COC(=O)c1ccnc(N2CCCN(C(=O)[C@H]3CCCO3)CC2)c1 55504708 KUELVANBUDWGRJ-CQSZACIVSA-N 333.388 1.086 0 40 EDAB Cc1nn2c(nc(N3CCN[C@@H](C(N)=O)C3)c3ccccc32)c1Cl 57388049 YGUKINQIJZMSLB-LLVKDONJSA-N 344.806 1.108 0 40 EDAB Cn1c(CN(Cc2cccs2)C[C@H]2CCCO2)cc(=O)n(C)c1=O 57373625 HYQFZKKWTGQXJP-CQSZACIVSA-N 349.456 1.327 0 40 EDAB COCc1cccc(S(=O)(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1 581506358 DUMWAAUCGSVCHW-HNNXBMFYSA-N 339.413 1.202 0 40 EDAB Cc1cc(C(=O)NCCn2nc(C(F)(F)F)n(C)c2=O)c(C)o1 85555757 HJGHSGACIMUNPD-UHFFFAOYSA-N 332.282 1.240 0 40 EDAB CCCCS(=O)(=O)N1CC[C@H](CNc2nccnc2OCC)C1 585080323 KNMLBZCHXDMXCM-CYBMUJFWSA-N 342.465 1.739 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CC[C@H](Oc2nccs2)C1 585320363 XOXGBBYIYDJMDE-SMDDNHRTSA-N 332.381 1.963 0 40 EDAB O=C(COC(=O)c1cccc(O)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 12804630 DVQRDPGJLBMAFZ-UHFFFAOYSA-N 327.296 1.357 0 40 EDAB O=C(Nn1cnnc1)c1ccccc1NC(=O)C(Cl)(Cl)Cl 14406066 MKRYMARVLARNNQ-UHFFFAOYSA-N 348.577 1.971 0 40 EDAB COc1ccc(/C=C2\NC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC 15281417 YGYWXVNGGTVCJL-YFBAIUBQSA-N 348.424 1.940 0 40 EDAB COc1ccc(Nc2nc3nonc3n3c(CC(=O)O)nnc23)cc1 16217179 ADWVRQUKHLXBMX-UHFFFAOYSA-N 341.287 1.040 0 40 EDAB CC(C)[C@H](Sc1nnnn1C1CCCCC1)C(=O)NC(N)=O 16295125 DWYQXRDFWNUOGD-JTQLQIEISA-N 326.426 1.490 0 40 EDAB Cn1cc2c(n1)[C@H]1CN(C(=O)c3cc(C(F)(F)F)n(C)n3)C[C@H]1C2 19290810 NXPFETNUNJLKDA-SCZZXKLOSA-N 339.321 1.584 0 40 EDAB Cc1nccn1CC1(O)CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 19287908 RBAFLVCZPFMCLW-HZPDHXFCSA-N 348.491 1.523 0 40 EDAB COc1nsc(CNC(=O)c2ccn(C)n2)c1Br 585128147 UAJOPPWVAVVXHN-UHFFFAOYSA-N 331.195 1.578 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc4nncn4n3)C[C@H]2C1 1888897294 PGYZZLBADSCBKC-RYUDHWBXSA-N 330.392 1.427 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CN1CCC[C@H](O)C1)CC2 20941756 UQOAJKPVZIDQIV-HNNXBMFYSA-N 334.416 1.045 0 40 EDAB COc1nccn2c(CNS(=O)(=O)Cc3cccc(C)c3)nnc12 238954534 XRACSDRKQKPVGN-UHFFFAOYSA-N 347.400 1.061 0 40 EDAB COc1ccc(Br)cc1CNC[C@@H]1CCS(=O)(=O)C1 37982530 SXHWZQDKLKEBIQ-JTQLQIEISA-N 348.262 1.982 0 40 EDAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(C(=O)c3cccnc3)[C@@H]2CN1 2037984941 SISGSFWPCHFDFF-JFIYKMOQSA-N 337.379 1.205 0 40 EDAB O=C(c1cc[nH]c1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 949375680 IGIMWLMLAFINBV-UHFFFAOYSA-N 340.427 1.917 0 40 EDAB C[C@]1(C(=O)N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)CC=CCC1 1614940161 FXALPAXAVLSMTJ-INIZCTEOSA-N 338.473 1.759 0 40 EDAB COC(=O)[C@H]1CC12CCN(C(=O)NCc1ccc3c(c1)OCO3)CC2 264989590 GGASXAPFMVSCEI-CYBMUJFWSA-N 346.383 1.900 0 40 EDAB Cc1cnc(C)c(OC2CCN(c3nccn4c(C)nnc34)CC2)n1 2087141194 GZZOQTUPLSEDSC-UHFFFAOYSA-N 339.403 1.887 0 40 EDAB CC(C)N(C)C[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)Cc2nccn2C1 1565542519 KWGDICJEPFTOKH-LJIGWXMPSA-N 332.448 1.074 0 40 EDAB Cc1csc2nc(O)c(C(=O)NCCc3ccccc3)c(=O)n12 10166721 MQFKSCXFNVIQTH-UHFFFAOYSA-N 329.381 1.743 0 40 EDAB CCCCc1ccc(NC(=O)Cn2cnc3c(nnn3C)c2=O)cc1 12443919 LUYGJQPCJQLNRO-UHFFFAOYSA-N 340.387 1.506 0 40 EDAB Cc1ccc(CNS(=O)(=O)c2nc3nc(C)cc(C)n3n2)cc1 15108004 CFCFESQWFTZEGR-UHFFFAOYSA-N 331.401 1.528 0 40 EDAB COC(=O)c1ccc2c(=O)n(CC(=O)NC(C)C)c(=S)[nH]c2c1 17113429 OKFUAXVKAXVMNT-UHFFFAOYSA-N 335.385 1.370 0 40 EDAB O=C(CC1CCCC1)N[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055730239 OZVCHMHPPLZBLH-LSDHHAIUSA-N 347.459 1.795 0 40 EDAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](COC[C@@H]5CO5)(O4)[C@@H]3C2=O)cc1 100917544 XFUHVCZVGQJFMO-RMWBKXBUSA-N 341.363 1.223 0 40 EDAB Cc1ccc(OCCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1C 40520945 FETHIECQBPYZIZ-UHFFFAOYSA-N 340.445 1.176 0 40 EDAB CC[C@](C)(CNC(=O)c1csc(NC(C)=O)n1)N1CCOCC1 31923577 YODDRTDBCFEDCI-OAHLLOKOSA-N 340.449 1.332 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)OC[C@H]2CCCO2)ccc1Cl 32666677 WVAQNHBIVVHDQZ-SNVBAGLBSA-N 333.793 1.584 0 40 EDAB C[C@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccc1F 21412924 NWNSJGXQQGIOLZ-NSHDSACASA-N 343.362 1.537 0 40 EDAB CC(=O)NCc1ccc(C(=O)O[C@H](C(N)=O)c2ccccc2)cc1 21489768 SHIVQRANXIYXSD-INIZCTEOSA-N 326.352 1.706 0 40 EDAB Cc1ccccc1OCCN(C)S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 32895742 ZJWOKKJNSYNPHD-GASCZTMLSA-N 342.461 1.660 0 40 EDAB COC(=O)c1cc(CNC(=O)NCc2cccnc2)ccc1OC 32841341 BUJBVGBSOVBKCY-UHFFFAOYSA-N 329.356 1.876 0 40 EDAB Cc1occc1C(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 53677572 OLBGQUQUXSJARC-UHFFFAOYSA-N 334.397 1.959 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)c1cnc2ccccc2n1 47122736 NMLRDHWAUUQJON-UHFFFAOYSA-N 331.339 1.536 0 40 EDAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCCO)cc(C)c21 71195937 BUBBOEYVNIWHSZ-UHFFFAOYSA-N 340.445 1.300 0 40 EDAB COC(=O)c1c(NC(=O)c2nc3ncccn3n2)sc2c1CCC2 339037 PMBIDMKSDWOTCS-UHFFFAOYSA-N 343.368 1.713 0 40 EDAB CCn1nnc(NC(=S)NC(=O)c2ccc3ccccc3c2)n1 557379 VDBLLEHKCFKXKI-UHFFFAOYSA-N 326.385 1.973 0 40 EDAB CCNC(=O)c1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1 47562139 FPPWSVZAKZKKIF-UHFFFAOYSA-N 333.388 1.807 0 40 EDAB COC(=O)c1cccc(C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)c1 95464414 NWXCIPCWAPUVJZ-UHFFFAOYSA-N 347.415 1.691 0 40 EDAB O=C(c1cnsn1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 47610517 VEMLGFJMXACVFA-UHFFFAOYSA-N 346.412 1.267 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCN(C[C@@H]2CCOC2)CC1 47717434 UXHCWVAYFZZEMP-WMLDXEAASA-N 332.400 1.007 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)NCc1ccc(Oc2ccccc2)nc1 78789849 FBANGYBQOAEGRG-ZDUSSCGKSA-N 340.383 1.904 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)N[C@@H]1c2ccccc2C[C@@H]1O 78996974 CILXKSMHHOPUGB-DOTOQJQBSA-N 346.333 1.469 0 40 EDAB O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)NC1CC1 1330937 RRHDMSCBUSQYIV-UHFFFAOYSA-N 343.774 1.514 0 40 EDAB NC(=O)c1nc2c(Nc3ccc(Cl)cc3)nc(N)nc2nc1N 1556782 HUTRUXARIGVGRS-UHFFFAOYSA-N 330.739 1.080 0 40 EDAB COc1ccc2c(c1)[n+]([O-])c(-c1nc3ccccc3s1)c(N)[n+]2[O-] 1616538 LMAPNZRKSOMDLH-UHFFFAOYSA-N 340.364 1.974 0 40 EDAB CN1CC[C@H](C(=O)N2CCN(c3ncccc3Cl)CC2)CC1=O 54100309 RFSFYKAJMGECBL-LBPRGKRZSA-N 336.823 1.252 0 40 EDAB CO[C@H](C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C(=O)[C@@H](C)OC 72287141 ZNYKSBVVTVLEJK-FMKPAKJESA-N 336.432 1.242 0 40 EDAB CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1 55548530 NDVXLHLYVFOZMS-UHFFFAOYSA-N 348.380 1.887 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2Cc3cccc(F)c3O2)C[C@@H]1N1CCOCC1 106918421 SMMBJIHSQQOTIS-UHOFOFEASA-N 334.391 1.308 0 40 EDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1n[nH]c3ccccc13)CC2 95400624 ZQJSRQKGWQRVIH-HUUCEWRRSA-N 329.400 1.955 0 40 EDAB Cc1nc2c(cc1C(=O)N[C@@H](C)CN1CCCC1=O)c(C)nn2C 55814588 WJIRRRHNOUDLJG-JTQLQIEISA-N 329.404 1.326 0 40 EDAB O=C(c1nnc2ccc(N3CCOCC3)cc2n1)N1CCCCCC1 57280177 IOPSSSIGTCVIIF-UHFFFAOYSA-N 341.415 1.878 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C[C@@H]1N1CCOCC1 107323167 VEQKUWILGNOYOK-RPVQJOFSSA-N 348.418 1.698 0 40 EDAB NC(=O)C1(CNC(=O)[C@H]2CCCN2Cc2ccccc2)CCOCC1 57170222 SIBCCOBTMWWUEK-MRXNPFEDSA-N 345.443 1.049 0 40 EDAB COc1cc(/C=C/C(=O)OCC(=O)NC(=O)NC(C)C)ccc1O 3290937 VRFRHVIKUAQRHO-FNORWQNLSA-N 336.344 1.191 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)Cc1ccc2c(c1)OCCO2 44701186 BJAVTDNKGVCNEH-UHFFFAOYSA-N 342.351 1.747 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)NCc3cc[nH]n3)CC2)cc1 48262334 TUTKTQYCICSJFM-UHFFFAOYSA-N 327.388 1.644 0 40 EDAB COc1ccc(OC)c([C@@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 48234344 LHCBFTXATPYYRB-MNOVXSKESA-N 342.417 1.251 0 40 EDAB Cc1ccccc1[C@H](C)NC(=O)CN1CCN(c2cnccn2)CC1 27631429 GQRFBPNZMCPDJX-INIZCTEOSA-N 339.443 1.784 0 40 EDAB Cc1noc(C)c1CCNC(=O)N1CCN(c2ncccn2)CC1 107339934 VUOFSKVGRGNURF-UHFFFAOYSA-N 330.392 1.156 0 40 EDAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C[C@H]1CCCO1 58226488 PZBANVHUWCOMEN-GFCCVEGCSA-N 341.358 1.130 0 40 EDAB COc1ccc(C)cc1N[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 58271802 UTEKNOOOTXDHIC-QWHCGFSZSA-N 340.445 1.450 0 40 EDAB CSc1nc(C(=O)N2CCC[C@@H](NC(C)=O)C2)c2ccccn12 58201337 KDBOLFAAXQQZQL-GFCCVEGCSA-N 332.429 1.797 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NCCc1ccc2c(c1)OCCO2 44948803 SDGRZMMTGJPJAN-CYBMUJFWSA-N 330.388 1.585 0 40 EDAB C[C@@H](CNC(=O)NCc1ccc(-n2cccn2)cc1)N1CCOCC1 44969240 ZLHKFNWMHBWUGJ-HNNXBMFYSA-N 343.431 1.392 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)NC1CCN(c2ncccn2)CC1 44954144 WBYHGQBBZQNRKT-CYBMUJFWSA-N 329.404 1.969 0 40 EDAB CN1CCO[C@@H](CNC(=O)c2cccc(OCc3cccnc3)c2)C1 58364047 GTJFYWKZLJWFCD-SFHVURJKSA-N 341.411 1.721 0 40 EDAB CCN(C[C@@H]1CCCO1)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 58392302 UGQONSAHXUCYKA-HIFRSBDPSA-N 344.415 1.352 0 40 EDAB CCN(C)S(=O)(=O)c1c(C)nn(C[C@H](O)c2ccccc2)c1C 95438800 KNUGOACSECBDFH-HNNXBMFYSA-N 337.445 1.874 0 40 EDAB CN(CCOc1ccccc1F)CCn1nc2ccccn2c1=O 26909133 YWVAQIKQZHAJCC-UHFFFAOYSA-N 330.363 1.646 0 40 EDAB Cc1ccccc1[C@@H](C)NC(=O)CS(=O)(=O)C[C@H]1CCCO1 45359900 HCQWSHYBMHNVRO-ZIAGYGMSSA-N 325.430 1.766 0 40 EDAB O=C(CCn1ccnn1)N1CCN(c2ncnc3ccsc23)CC1 172664760 IDDUKFHLAXPQLR-UHFFFAOYSA-N 343.416 1.022 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 58918846 XMIALQWKEMZNGP-KGLIPLIRSA-N 331.464 1.851 0 40 EDAB O=C(COC(=O)C1C2CC3CC(C2)CC1C3)N[C@@H]1CCCCNC1=O 46229927 DPEYOHZHDDMHJG-UWRLEFKFSA-N 348.443 1.387 0 40 EDAB C[C@@H]1CN(C(=O)NCCc2cnn(C)c2)CCN1CC(F)(F)F 95447209 HCIWFJJEGIAEBH-LLVKDONJSA-N 333.358 1.241 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)CCN1CCCC1 95410338 DQISEIFLDUBSHD-ZIAGYGMSSA-N 334.468 1.849 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2cc(=O)[nH]c3ccccc23)CC1 12923462 AKRGPGRPXOAIKL-UHFFFAOYSA-N 343.383 1.879 0 40 EDAB COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 3882427 REKWHZMALYIKHA-FRRILYKYSA-N 329.352 1.623 0 40 EDAB CCc1cc(C)nc(N2CCN(S(=O)(=O)c3cccnc3)CC2)n1 96011510 IPSRTFRBMWLPHF-UHFFFAOYSA-N 347.444 1.253 0 40 EDAB COCCN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 4046837 KJVUKTSUTGBTPC-GOSISDBHSA-N 327.384 1.256 0 40 EDAB biogenic CCOC(=O)C(NC(=O)/C=C/c1ccccc1OC)C(=O)OCC 14120897 HDWCNDIMJNWSJQ-ZHACJKMWSA-N 335.356 1.319 0 40 EDAB CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1 4505253 QQXLLUDMSNRAEN-NSHDSACASA-N 337.488 1.582 0 40 EDAB C[C@H](NC(=O)C(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 5424146 IXSYWQYFAUETMM-ZFWWWQNUSA-N 340.379 1.820 0 40 EDAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 6566135 KPLSLIIPHYHLOL-UHFFFAOYSA-N 348.380 1.438 0 40 EDAB COCCNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 4736579 SALRAZWNRNENIM-JTQLQIEISA-N 334.825 1.257 0 40 EDAB O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CCN(C2CC2)C(=O)C1 72312615 LKBUKOLSAKNTGP-UHFFFAOYSA-N 344.802 1.973 0 40 EDAB Cc1nnc(S)n1CCNC(=O)[C@@H](C)N1CCc2ccccc2C1 72304172 MFQMXKAKCUSWBB-GFCCVEGCSA-N 345.472 1.438 0 40 EDAB CCNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cn[nH]c1 67244310 RPKSKYOLABLAFT-UHFFFAOYSA-N 328.781 1.614 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CSc1nc(C)cc(N)n1 7094561 ZNXVZVZGMUDFKK-JTQLQIEISA-N 326.422 1.163 0 40 EDAB COc1cccc(NC(=O)C(=O)NCc2c(C)cc(C)nc2OC)c1 67599613 CAIZEMATNCLPPE-UHFFFAOYSA-N 343.383 1.971 0 40 EDAB C[C@H](OC(=O)CCc1nc(-c2cccs2)no1)C(=O)NC1CC1 7316735 JTDWRROFQSMPTK-VIFPVBQESA-N 335.385 1.941 0 40 EDAB C[C@@H](CCc1ccco1)NC(=O)c1csc(S(N)(=O)=O)c1 68007362 AJHWLQYODHOJGO-VIFPVBQESA-N 328.415 1.740 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](Cc2ccccc2)C1 96437711 VKMVJMHVKCRTMQ-HOTGVXAUSA-N 336.457 1.695 0 40 EDAB CN(C(=O)COC(=O)CNC(=O)C1CCCCC1)c1ccccc1 7563318 ZCVGLSIQZKUAGF-UHFFFAOYSA-N 332.400 1.889 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)Oc2cccc(-n3cnnn3)c2)c1 16084855 IYLPBKURJXDMSA-UHFFFAOYSA-N 344.352 1.633 0 40 EDAB O=S1(=O)CCN2N=C(c3ccccc3)C(c3ccccc3)=NC2=N1 7718599 INGWOEGQNIDMHE-UHFFFAOYSA-N 338.392 1.895 0 40 EDAB CC(=O)N1CCC(C(=O)OCc2cc(=O)n3c(C)cccc3n2)CC1 9594240 UQNZZVCIGOCXLY-UHFFFAOYSA-N 343.383 1.305 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@H](C)C[C@@H](C)C1 8184281 SQBWJGUREACOQN-GHMZBOCLSA-N 326.418 1.461 0 40 EDAB COCCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1cnn(C)c1 71897670 XWJAWRDFTWZKMP-UHFFFAOYSA-N 346.387 1.507 0 40 EDAB CN(CC(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1)S(C)(=O)=O 71847689 JRKBZOGCGZGRIB-OAHLLOKOSA-N 342.436 1.641 0 40 EDAB Cn1c(=O)[nH]c2cc(C(=O)N3CCC[C@H]3Cn3cccn3)ccc21 71866681 KVAAGUJHLAJEQH-ZDUSSCGKSA-N 325.372 1.368 0 40 EDAB CCc1nc(CC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cs1 71841499 ACTTWYIWPGGFFI-LBPRGKRZSA-N 349.431 1.848 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N1CC[C@@H]2CCCC[C@@H]2C1 8368800 YFUQOYSTNDQPOG-UONOGXRCSA-N 326.400 1.830 0 40 EDAB Nc1nccnc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 71889188 VTKGIYXWIDMTPA-SECBINFHSA-N 331.763 1.248 0 40 EDAB CCc1nnc(NC(=O)C(=O)N2CCN(C)c3ccccc3C2)s1 69433240 FKGUMYCNJXQPBT-UHFFFAOYSA-N 345.428 1.518 0 40 EDAB CNC(=O)CN1CCC(NC(=O)Cc2ccccc2OC(C)C)CC1 69440735 SBISSCSLINYVJU-UHFFFAOYSA-N 347.459 1.343 0 40 EDAB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](C)Cn2cccn2)C1 69490593 GZPUPMMSVMGIEK-PMPSAXMXSA-N 334.464 1.920 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1 20199905 OZXQVVINQYWIHA-UHFFFAOYSA-N 328.390 1.520 0 40 EDAB CNC(=O)c1cccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c1C 69582082 RHLMEDCOJRLHNA-LLVKDONJSA-N 334.420 1.779 0 40 EDAB CC(C)(C)NC(=O)[C@@H]1CCCCN1C(=O)c1cc(C(N)=O)cs1 71896617 RAUVCCRRNIXVDN-NSHDSACASA-N 337.445 1.756 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@H](n2ccnc2)C1 69667131 DLISYOREVSNMCQ-ZDUSSCGKSA-N 337.383 1.526 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCc1nc(-c2ccco2)n[nH]1 69654818 IZFBZXKMICHYBI-UHFFFAOYSA-N 325.328 1.111 0 40 EDAB CCOc1ccc([C@H]2CCCN2C(=O)CN2C(=O)CNC2=O)cc1 71928371 VQMHUPIDSNJOIQ-CQSZACIVSA-N 331.372 1.301 0 40 EDAB COC(=O)c1cc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)oc1C 71900635 MHZFOFKVNAWEJN-GFCCVEGCSA-N 348.321 1.970 0 40 EDAB Cc1cc(NC(=O)C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)no1 71920337 QWHYJAYJZPKDNW-LBPRGKRZSA-N 344.371 1.785 0 40 EDAB CC[C@](C)(NCC(=O)NCCCOC1CCCCC1)C(=O)OC 71912042 HUNZCVRNCJTNOZ-KRWDZBQOSA-N 328.453 1.773 0 40 EDAB COc1ccc(Cl)cc1NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 8844447 YIPPMJHLOSODBG-SECBINFHSA-N 339.822 1.277 0 40 EDAB CS(=O)(=O)NCCNC(=O)CCn1ccc2cc(Cl)ccc21 95442247 YWDAFIXFPRXSHM-UHFFFAOYSA-N 343.836 1.350 0 40 EDAB Cc1cccc(C(=O)N[C@H](C(=O)N2CCO[C@H](C(=O)O)C2)C(C)C)c1 95425351 CGFLDRKZXQDOPA-GJZGRUSLSA-N 348.399 1.061 0 40 EDAB C[C@H](NC[C@H](O)CN1CCc2ccccc2C1)[C@@H](C)n1cccn1 72269893 SYMGGIRTUUNZCJ-FCEWJHQRSA-N 328.460 1.841 0 40 EDAB CN(C)c1ncccc1CNC(=O)NCc1nc(-c2ccco2)n[nH]1 72275837 SGXJSUVLATXSGH-UHFFFAOYSA-N 341.375 1.525 0 40 EDAB C[C@@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)C[C@@H](C)S1 74095469 LONNMKVULWBUAJ-HZPDHXFCSA-N 348.516 1.946 0 40 EDAB Cn1c(=O)oc2c(C(=O)Nc3nncn3-c3ccccc3)cccc21 95988443 MENQKUNNBZZZQO-UHFFFAOYSA-N 335.323 1.965 0 40 EDAB Cc1cc(C)nc(N2CCC[C@@H](CNS(=O)(=O)C(C)C)C2)n1 95975920 FAMPXTLEGYHWRF-AWEZNQCLSA-N 326.466 1.638 0 40 EDAB CCc1cnc(CCNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)s1 89289643 JLVWQRYHXXRKQB-STQMWFEESA-N 336.461 1.701 0 40 EDAB C[C@@H]1C(=O)N(CC(=O)NCc2ccco2)C(=O)N1c1ccc(F)cc1 9908727 KUQBONXJWXLABL-LLVKDONJSA-N 345.330 1.892 0 40 EDAB COc1cc(CC(=O)Nc2c[nH]c(=O)cc2C)cc(OC)c1OC 75092864 AEUILSMGLDKOGU-UHFFFAOYSA-N 332.356 1.890 0 40 EDAB CCOC(=O)[C@H](C)N(C)S(=O)(=O)c1cc(OC)ccc1OC 75110670 QRTYYLFQBQEHHA-JTQLQIEISA-N 331.390 1.276 0 40 EDAB Cc1cncn1CCCNC(=O)CN1C(=O)CSc2ccccc21 89702457 FDGJKQGPPVOMGU-UHFFFAOYSA-N 344.440 1.837 0 40 EDAB CN(Cc1cc(Cl)cn1C)C(=O)NCC(C)(C)N1CCOCC1 89761752 PBXDWTRRZZOZOC-UHFFFAOYSA-N 342.871 1.931 0 40 EDAB NC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Br)nn1 89809472 QQCYWQYZHIWLLW-VMPITWQZSA-N 347.172 1.990 0 40 EDAB C[C@@H]1CN(C)CCN1CC(=O)Nc1ccnn1Cc1ccccc1 89939128 PFNPVMFWWATNJI-OAHLLOKOSA-N 327.432 1.506 0 40 EDAB CC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)CC1 89905105 CSGAMXWTOALBBO-ZDUSSCGKSA-N 347.415 1.783 0 40 EDAB CCN(CC)C[C@@H]1CN(Cc2cc(C)nn2C)Cc2ccnn2C1 306124816 CAEWYPKGRXOXKD-MRXNPFEDSA-N 330.480 1.899 0 40 EDAB Cc1c([C@H]2CN(Cc3cncn3C(C)C)C[C@@H]2C(N)=O)cnn1C 527586596 IDJLRPRUZUHFML-CVEARBPZSA-N 330.436 1.207 0 40 EDAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCc1ccncc1 79474290 KFAAWQJIIXCNRN-UHFFFAOYSA-N 334.379 1.664 0 40 EDAB Cc1nccn1CC(=O)N1CCC[C@](C)(C(=O)NC2CCCC2)C1 72392229 LFJRXXNVSKOHMI-SFHVURJKSA-N 332.448 1.879 0 40 EDAB CC[C@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 30754932 FOVVUWPCZAOHLS-ZDUSSCGKSA-N 340.445 1.377 0 40 EDAB Cc1cc(N2CCC[C@@H](NC(=O)c3cncnc3C3CC3)C2)n(C)n1 562627583 KCNYZRJFVXWKNN-CQSZACIVSA-N 340.431 1.795 0 40 EDAB Cc1cc(C)c(C(=O)N2[C@H](C(=O)O)COC23CCN(C)CC3)c(C)c1 71980095 YTRKLRROBOMRBP-HNNXBMFYSA-N 346.427 1.959 0 40 EDAB Cc1cc(C)n(-c2ccc(NCC(=O)N(C)CC(F)(F)F)nn2)n1 78340136 HBDYEIQUZLGMQF-UHFFFAOYSA-N 342.325 1.712 0 40 EDAB CCc1nnc2n1CCN(CC(=O)N(Cc1cccs1)C1CC1)C2 69810571 FJNOPQJJLNIIQD-UHFFFAOYSA-N 345.472 1.909 0 40 EDAB O=S(=O)(NCC1CCNCC1)c1cccc(Br)c1 44503917 YPOKCRUQVLBGSE-UHFFFAOYSA-N 333.251 1.727 0 40 EDAB CCCC(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 69829663 IKINNJQPQKPPHF-UHFFFAOYSA-N 339.461 1.751 0 40 EDAB COCc1ccc(CNC(=O)CN(C)[C@@H](C)c2nc(C)no2)cc1 565665940 NDUSVPLNARBQFB-LBPRGKRZSA-N 332.404 1.834 0 40 EDAB Cc1ccc(F)c(CC(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1 570366433 DUHJFSLEGHCQFZ-VKJFTORMSA-N 334.391 1.619 0 40 EDAB O=C(NCC(=O)N1CCC[C@H](N2CCCC2)C1)NC1CCCCC1 69817124 RHWHUJSUUVLEOO-INIZCTEOSA-N 336.480 1.705 0 40 EDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)NC1(c2ccc(F)cc2F)CCC1 194041590 PHLQFKMYOSJSGB-JTQLQIEISA-N 346.399 1.740 0 40 EDAB COc1ncnc2c1CN(CC(=O)NCCC1=CCCCC1)CC2 97202606 LWYMIRBBWOPQKS-UHFFFAOYSA-N 330.432 1.850 0 40 EDAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1nccs1 95477033 NYKCTTUJVDKBGQ-GFCCVEGCSA-N 344.396 1.839 0 40 EDAB Cn1cnnc1[C@H](CO)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 585127754 IMXTYYROTOFXDR-NTYUQYKDSA-N 340.305 1.697 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)CN(CC1CC1)C[C@@]21CCNC1=O 96243903 QHSLJJPWIBWKND-PTSWNOGYSA-N 345.487 1.483 0 40 EDAB CN(C)S(=O)(=O)N1C[C@H]2CCC[C@@]2(COCC2CCOCC2)C1 96109206 QRBPTWLWLDHZGU-CVEARBPZSA-N 346.493 1.338 0 40 EDAB O=C(NC1CC1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 96239736 ITXLYTPGVPHQSB-OAHLLOKOSA-N 337.374 1.886 0 40 EDAB CCNC[C@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O 96295996 QKTHXMMMBCWTJY-RYQLBKOJSA-N 337.464 1.721 0 40 EDAB biogenic,in-vitro Cc1ccc(N[C@H]2CO[C@@]3(CCCN(c4ncccn4)C3)C2)nn1 96048472 CAQDZPSRULXOFQ-PBHICJAKSA-N 326.404 1.815 0 40 EDAB COCCN(C)S(=O)(=O)c1c(F)cccc1Br 96470299 COMBRKJODMXJNK-UHFFFAOYSA-N 326.187 1.855 0 40 EDAB CCS(=O)(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159767 ZQLQXLHSAUYAHX-INIZCTEOSA-N 340.420 1.600 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C[C@H]2C(=O)O)cc1 96198733 OINJSBLQUOUIIA-HOTGVXAUSA-N 332.400 1.385 0 40 EDAB CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 96036740 YPJGWPFLTUIFRZ-CQSZACIVSA-N 346.456 1.581 0 40 EDAB Cc1cc(CN2Cc3ccnn3[C@@H](CC(=O)N3CCCCO3)C2)no1 247954500 ZPNIOPNPOAQLAP-INIZCTEOSA-N 345.403 1.681 0 40 EDAB O=C(Cc1ccco1)N1CC2(CC[C@@H](CNc3ncccn3)CO2)C1 247804935 ADRXGOPTAFUBBF-AWEZNQCLSA-N 342.399 1.732 0 40 EDAB CCN1CCN(c2nn(-c3cccc(C)c3C)nc2C(=O)O)CC1 256048448 TUAOPTGOMXUUNQ-UHFFFAOYSA-N 329.404 1.724 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1scnc1C 257234921 GVQDJWRTMNFNTE-HNNXBMFYSA-N 331.401 1.119 0 40 EDAB COc1ccccc1N1CCN(S(=O)(=O)c2ccccc2N)CC1 256055252 ZXLWKEGBTVKJQH-UHFFFAOYSA-N 347.440 1.788 0 40 EDAB COC(C)(C)C(=O)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257203771 ARPGLJCFYMBYFN-AWEZNQCLSA-N 331.416 1.777 0 40 EDAB COc1nn(C)cc1C(=O)NCC[C@H](O)c1ccc2c(c1)OCO2 85560715 QKUISNIZTONROH-LBPRGKRZSA-N 333.344 1.011 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)ncn1 257255982 KJQQXMIUVRAKEX-GOSISDBHSA-N 346.475 1.819 0 40 EDAB O=C(c1cc2ccccc2[nH]1)N1CCC(N2C(=O)COC2=O)CC1 253395262 BSMYVVCFHJZWPC-UHFFFAOYSA-N 327.340 1.751 0 40 EDAB CN(C(=O)COc1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257241291 HXMLBFLMSHWFIL-JFIYKMOQSA-N 336.407 1.651 0 40 EDAB O=C(O)[C@@H](NS(=O)(=O)c1ccc(C(F)F)cc1)[C@@H]1CCOC1 548768979 FFQVKMRRQZETQF-KOLCDFICSA-N 335.328 1.392 0 40 EDAB CN(C)Cc1cc(C(=O)Nc2ccnc(O[C@@H]3CCOC3)c2)no1 1615621027 BFIURVDDKSJGTA-GFCCVEGCSA-N 332.360 1.551 0 40 EDAB COC(=O)C1CCN(c2nnnn2Cc2cc(F)cc(OC)c2)CC1 1616036058 GLNGXIKUSHDIHF-UHFFFAOYSA-N 349.366 1.259 0 40 EDAB CO[C@@]1(CNC(=O)C(=O)NCCC2=CCCCC2)CCSC1 96364689 UNMQRTQXTAPUOZ-MRXNPFEDSA-N 326.462 1.631 0 40 EDAB CN1CCOC[C@@H]1C(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 390834997 ALXVVTPIDSREDH-MOPGFXCFSA-N 340.423 1.834 0 40 EDAB O=C(Cn1cnnn1)Nc1ccc(C(=O)NC2CCCCC2)c(O)c1 390835276 IVPUHUHXQYOKQN-UHFFFAOYSA-N 344.375 1.080 0 40 EDAB Cc1occc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1=O 585096821 DBMVSVIWYBLIDT-CQSZACIVSA-N 342.399 1.822 0 40 EDAB CC(=O)N1CCN(C2CCC2)C[C@](O)(COc2ccc(C)cc2)C1 585282037 WRZFPNUZKZFZGD-IBGZPJMESA-N 332.444 1.822 0 40 EDAB O=C(Cc1ccccn1)N1CCOC[C@@](O)(COc2ccccc2)C1 585276218 DTTNMXQKEYLBMY-LJQANCHMSA-N 342.395 1.293 0 40 EDAB Cn1c(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc(=O)n(C)c1=O 69350040 KCHHLBLAUQTPIQ-CQSZACIVSA-N 343.383 1.150 0 40 EDAB Cc1cc2n(n1)C[C@@H](CN[C@@H](C(=O)NC1CCCC1)C(C)C)CN2 69371279 DMMLMOSRPJZKKV-RHSMWYFYSA-N 333.480 1.906 0 40 EDAB COC(=O)c1[nH]c(C)cc1NCC(=O)NC(=O)Nc1ccccc1 69620117 HHTNUKAEKYKANQ-UHFFFAOYSA-N 330.344 1.870 0 40 EDAB O=C(NCc1cccs1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 72291017 OOAAAGAHWASLJU-UHFFFAOYSA-N 345.359 1.723 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)N[C@H](C)c2cccnc2)c1 44951395 STKLTIADCDRYAA-GFCCVEGCSA-N 348.428 1.550 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](c3ccccc3)C2)CC1 38567234 BVMVILUQSTYEGF-INIZCTEOSA-N 336.457 1.674 0 40 EDAB Cc1nnsc1C(=O)N1CCN(C[C@H](O)c2cccs2)CC1 56921716 VJFQIGACIAXYQJ-NSHDSACASA-N 338.458 1.399 0 40 EDAB O=C1CCC(NNc2ccc(Br)cc2)=c2ncccc2=N1 140455289 QNYPRNSNEIIVHV-UHFFFAOYSA-N 345.200 1.509 0 40 EDAB in-vitro COc1ccc(COC(=O)N[C@@H](CC[S@](C)=O)C(=O)O)cc1 5641253 GEKCUILAWRQQHC-AMXDTQDGSA-N 329.374 1.143 0 40 EDAB COc1ccccc1CCCNC(=O)[C@H](C)N1C(=O)NC(C)(C)C1=O 12191974 QRQMOMWCFOERDO-LBPRGKRZSA-N 347.415 1.463 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)C[C@@H](C)O1 13340103 KGFXNEWUQTZUTN-RKDXNWHRSA-N 333.793 1.836 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)C[C@H](O)Cn2nc(C)cc2C)cc1 16839680 PUZBFEDOLJHADT-HNNXBMFYSA-N 337.445 1.490 0 40 EDAB CC(=O)c1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1 17029332 OVJQATVKLZUFNV-UHFFFAOYSA-N 337.335 1.531 0 40 EDAB Cc1nc(C)n(CC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1 19657501 JKFQDVCRKOUMKW-UHFFFAOYSA-N 343.387 1.006 0 40 EDAB Cc1cccc(O[C@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)n1 238865961 LUAGNMFOQLDUTL-ZDUSSCGKSA-N 328.372 1.663 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCC(N2CC[C@H](O)C2)CC1 244975022 HYCCIOQGAKVQJI-AWEZNQCLSA-N 326.400 1.301 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575605211 OMAXOCZQYBWRGW-CYBMUJFWSA-N 334.351 1.833 0 40 EDAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)N1CCN(Cc2cccnc2)CC1 585149847 UUABGSVBPNBVPG-HZPDHXFCSA-N 344.459 1.134 0 40 EDAB CC1CCN(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)CC1 3586065 ZINRDWMPOPOWKX-UHFFFAOYSA-N 343.383 1.349 0 40 EDAB COc1ccc(NC(=O)CSc2nc3ncccn3n2)c(OC)c1 8705374 VBXZOZSNWCLOMT-UHFFFAOYSA-N 345.384 1.872 0 40 EDAB Cc1nc(N2C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)nc(O)c1F 1888867015 ZDKVGAMILCYQDS-ZIAGYGMSSA-N 342.374 1.838 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cc[nH]n5)C[C@@H]4C3)n1)CCC2 1888867118 SZXUTKQYNSMLNQ-STQMWFEESA-N 338.415 1.205 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(n3nccn3)CC2)c1 238875622 NYUQXZIREKMWGG-UHFFFAOYSA-N 334.401 1.507 0 40 EDAB COCCOc1cc(C(=O)Nc2ncc(C(=O)OC)s2)ccn1 240122533 WBWBBPZTSLEOHG-UHFFFAOYSA-N 337.357 1.602 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1C[C@@H]2Cc3nc(N4CCCC4)ncc3[C@@H]2C1 1565545795 MGDXAOHHELTMPL-YZVFDVFRSA-N 340.427 1.067 0 40 EDAB CCCC(=O)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1 4323113 YRDKCYUIBODVTF-UHFFFAOYSA-N 339.461 1.055 0 40 EDAB COCCN1CC[C@]2(CCCN(C(=O)CCc3ccc[nH]3)CC2)C1=O 2055785307 DBUXCSJQFNWRQT-LJQANCHMSA-N 347.459 1.825 0 40 EDAB COc1ccc(C[C@@](C)(O)CNc2ncnc3c2ncn3C)cc1 1775970932 KGGJVAKOKZDLLT-QGZVFWFLSA-N 327.388 1.778 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H](Oc2ccncn2)C1 575610923 PIJVSPUHRDEHQS-LBPRGKRZSA-N 340.339 1.064 0 40 EDAB Cc1nnc2ccc(N3CCC[C@H](COc4cnccn4)C3)nn12 2298214469 HGEPMOBXNAQBIG-ZDUSSCGKSA-N 325.376 1.518 0 40 EDAB CN1CCN(C(=O)/C(=C/c2cccs2)NC(=O)c2ccco2)CC1 19927781 NQSKNYFVSUYBNR-OWBHPGMISA-N 345.424 1.886 0 40 EDAB CN1CCN(c2ccc(CNC(=O)NCc3ccco3)cn2)CC1 40487647 XTYWGCAPOOVKFH-UHFFFAOYSA-N 329.404 1.426 0 40 EDAB O=C(CN1CC(=O)Oc2ccccc21)OCC(=O)c1ccc(F)cc1 199663 QHLFRZCKBKHUCS-UHFFFAOYSA-N 343.310 1.977 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCc2csc(Br)c2)C1 40519964 SJZBATZBLDGUGQ-VIFPVBQESA-N 346.250 1.918 0 40 EDAB Cc1noc(C)c1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40539019 RWFSMIKNVLPLFW-INIZCTEOSA-N 328.328 1.598 0 40 EDAB CCN(C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)C1CCCC1 40500840 VLNBAXOOGVAGMX-UHFFFAOYSA-N 342.399 1.287 0 40 EDAB COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 32741411 XZGQTSHXZHLEFY-UHFFFAOYSA-N 341.411 1.650 0 40 EDAB Cc1cc(NC(=O)CSCC(=O)NCC(C)(C)N(C)C)no1 41297804 RMAGQAVMSPFXMS-UHFFFAOYSA-N 328.438 1.111 0 40 EDAB O=C(COc1ccc(F)cc1F)NCCC(=O)Nc1ccccn1 52969582 UNSQIJYKFLYXII-UHFFFAOYSA-N 335.310 1.884 0 40 EDAB COc1cccc([C@H](Nc2ccc3nnnn3n2)c2nccn2C)c1 22202797 XQPGTNWFQNCSGM-HNNXBMFYSA-N 336.359 1.463 0 40 EDAB C[C@H]1CN(CCNC(=O)Cn2ccc(C(F)(F)F)n2)C[C@@H](C)O1 42031847 RMIONYAKRNUKKG-PHIMTYICSA-N 334.342 1.127 0 40 EDAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)S(C)(=O)=O 42296548 JFQVNNHXWJQAJT-ZETCQYMHSA-N 341.357 1.055 0 40 EDAB COc1cccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)c1 410595 JCMMELJNCYNVIQ-UHFFFAOYSA-N 341.396 1.915 0 40 EDAB O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1nc(=O)[nH][nH]1 72286334 RNNWJQUBUWNBOX-DEOSSOPVSA-N 342.380 1.658 0 40 EDAB O=C(CCCc1ncc(-c2ccccc2)o1)N1CCN(CCO)CC1 78387971 GSWGUVKUBNWMRL-UHFFFAOYSA-N 343.427 1.801 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)n1 78893028 LJNHUADORAXHNA-AWEZNQCLSA-N 329.404 1.601 0 40 EDAB COc1cccc(N2CCN(C(=O)c3nccnc3C(=O)O)CC2)c1 71284181 HYQBKZWBIWKMEU-UHFFFAOYSA-N 342.355 1.146 0 40 EDAB O=C(C[C@H](CN1CCCC1)C(=O)O)Nc1ccc2c(c1)OCCO2 71283241 NWBRSWJHXQVWHL-GFCCVEGCSA-N 334.372 1.583 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 4884607 GBRAYANSGPYTCE-KYZVSKTDSA-N 348.374 1.413 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCCCC2)c1 6376699 NSOAODIQOOUSIP-UHFFFAOYSA-N 340.401 1.396 0 40 EDAB CC[C@@H]1CN(CC(=O)NCCC2=CCCCC2)CCN1C[C@H](C)O 106906660 HENMWVSEJAZYQD-FUHWJXTLSA-N 337.508 1.770 0 40 EDAB O=C(CNC(=O)c1ccc(-c2nnn[nH]2)cc1)OCc1ccccc1 25446984 XAQQZZCEENFPBI-UHFFFAOYSA-N 337.339 1.340 0 40 EDAB O=C(CNC(=O)N[C@@H]1CCc2c(F)cccc21)NCC(F)(F)F 56859709 BGGPIFUVNMLQSE-LLVKDONJSA-N 333.285 1.791 0 40 EDAB CC1(C)S[C@@H]2[C@@H](NC(=O)NC3CCCCC3)C(=O)N2[C@H]1C(=O)O 28254220 YGYNBLXWUDRFHI-JBLDHEPKSA-N 341.433 1.134 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-n2cccn2)nc1 44248246 GMDUPBMAFWDABU-CYBMUJFWSA-N 349.416 1.020 0 40 EDAB Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)n1 57419162 QECLIKRRWCMDJM-HNNXBMFYSA-N 346.431 1.929 0 40 EDAB CCCCN(C)C(=O)Cn1c(=O)n(CCC)c(=O)c2ccccc21 57477477 XAXRQNGUGGZHIZ-UHFFFAOYSA-N 331.416 1.832 0 40 EDAB CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=O)C1 27021871 LIHVXAAVKVQVID-CYBMUJFWSA-N 343.383 1.595 0 40 EDAB Cc1ccc(-n2nnnc2Sc2ccc(S(N)(=O)=O)cn2)cc1 9754555 ITZMIFMESHOGNI-UHFFFAOYSA-N 348.413 1.164 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCCN(c3nccs3)CC2)on1 58158214 OSBUPBKALAFQEB-GFCCVEGCSA-N 335.433 1.979 0 40 EDAB Cn1ccnc1[C@](O)(CC(=O)NCCc1cccs1)C(F)(F)F 44895990 ZVGZIVIJABISOB-CYBMUJFWSA-N 347.362 1.981 0 40 EDAB C[C@]1(c2ccccc2F)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 58209130 DACLJKNDQSVLKL-CYBMUJFWSA-N 347.268 1.271 0 40 EDAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H]1CCS(=O)(=O)C1 44966269 YDSUPGDCBZKMEY-ONGXEEELSA-N 332.372 1.854 0 40 EDAB CCS(=O)(=O)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 107721535 QXSBPAQPDLAUOJ-SOUVJXGZSA-N 326.418 1.180 0 40 EDAB NC(=O)[C@H](NC(=O)[C@@H]1OCCc2ccccc21)c1ccc(F)cc1 97147007 RKPRCLSYUYCBCQ-HZPDHXFCSA-N 328.343 1.782 0 40 EDAB C[C@@H](NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[C@H]1CCCO1 58393629 YGSZIGCEQFCPMM-CZUORRHYSA-N 329.400 1.849 0 40 EDAB COc1ccc(CNCc2c(C)nn(C)c2N2CCOCC2)cc1 58405305 OLFPWYQGFUMGDO-UHFFFAOYSA-N 330.432 1.864 0 40 EDAB Cc1cccc(OCC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1 24688844 MBGOWZOBQBCNFF-CQSZACIVSA-N 340.445 1.304 0 40 EDAB O=C1C[C@]2(CC[C@H]3[C@@H](C(=O)N4CCOCC4)[C@@H]32)Oc2ccccc21 100123871 YFOIXAIPVSGPGZ-YUFWVBKYSA-N 327.380 1.905 0 40 EDAB Cn1cc(CN2C[C@H](C(=O)NCc3cccs3)[C@H]3OCC[C@H]32)cn1 108528188 QUMUDEJYJWYRCL-ARFHVFGLSA-N 346.456 1.387 0 40 EDAB CC[C@H](C)Oc1ccc([C@@H]2C=C(C(=O)O)Nc3nnnn32)cc1OC 101675122 DLLZULJGTMKTFL-CABZTGNLSA-N 345.359 1.842 0 40 EDAB OCc1cc(F)cc(CO)c1OCc1nnnn1Cc1ccccc1 48354990 OYXSXFYETHSULH-UHFFFAOYSA-N 344.346 1.424 0 40 EDAB COc1ccc(CCC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 29190356 PHVWLFPOXUDZBL-AWEZNQCLSA-N 340.445 1.168 0 40 EDAB O=S(=O)(c1ccccc1)N1CCN(Cc2nc(C3CC3)no2)CC1 29525123 IDKKQAHQTRMMQR-UHFFFAOYSA-N 348.428 1.454 0 40 EDAB O=C1C[C@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CN1CC1CC1 46355454 FBPLNWMYYJODQI-DOTOQJQBSA-N 346.402 1.984 0 40 EDAB Cn1nc(C(=O)Nc2nccs2)cc1OCC(=O)N1CCCC1 57312720 DFTVCHNINNUVLN-UHFFFAOYSA-N 335.389 1.130 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCN(c3ncccn3)CC2)c1 2773088 JPMQYIZGIQYGGF-UHFFFAOYSA-N 328.372 1.456 0 40 EDAB O=C(c1ccco1)N1CCO[C@H]2CCN(Cc3ccncc3)C[C@@H]21 108530375 CILZTTPKBRKENP-HOTGVXAUSA-N 327.384 1.790 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 47028443 LCUXQPGGDDVSMX-KBPBESRZSA-N 329.408 1.030 0 40 EDAB O=C(/C=C/c1cccnc1)N1CC(S(=O)(=O)Nc2ccccc2)C1 96005408 SRKDUOOLMYLRSO-CMDGGOBGSA-N 343.408 1.748 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)COC(=O)[C@@H]3C[C@@H]3C)CC2)cc1 95349101 ZBVOPOHKDUEODU-SUMWQHHRSA-N 344.411 1.737 0 40 EDAB CCc1nnsc1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 65390692 HVTYBWOFEUXZQD-UHFFFAOYSA-N 346.460 1.177 0 40 EDAB C[C@H]1CCN2c3ccccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 5274404 NLQQMDQOQNSEGR-WFASDCNBSA-N 341.411 1.884 0 40 EDAB CC(C)(CNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(N)=O 95350613 NNTALNOAGCBWQL-INIZCTEOSA-N 333.413 1.243 0 40 EDAB CC(C)NC(=O)CNC(=O)[C@H](c1ccccc1)N1CCSCC1 65623151 XQCSHPSRNPAJMM-INIZCTEOSA-N 335.473 1.417 0 40 EDAB O=C(COC(=O)c1cnc2sccn2c1=O)Nc1ccc(F)cc1 6590927 TVIKOQAJUSPNOA-UHFFFAOYSA-N 347.327 1.691 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2)CC1 6552063 MRGJTKHBRVAINX-UHFFFAOYSA-N 348.406 1.814 0 40 EDAB CCn1cc(C(=O)NCCC(=O)OC)c(=O)c2cc3c(cc21)OCO3 6758955 AWYMIKFKXFDGKG-UHFFFAOYSA-N 346.339 1.043 0 40 EDAB O=C(NCCNC(=O)c1nc(C2CCCCC2)no1)c1cccnc1 15082904 DMMFBZPKJLHSTD-UHFFFAOYSA-N 343.387 1.672 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6945728 DWTKTARDXPYREY-GFCCVEGCSA-N 342.351 1.720 0 40 EDAB NC(=O)c1nccnc1C(=O)N1CCC[C@@H](N2CCCCCC2)C1 73473290 YZUSYQFBNQVVHX-CYBMUJFWSA-N 331.420 1.056 0 40 EDAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 67511668 JVUNMFAWSWIITL-HUUCEWRRSA-N 343.408 1.156 0 40 EDAB CC(C)(C)C(=O)N1CCCN(C(=O)C(=O)Nc2nccs2)CC1 67596371 GSOQCSDSOUGUTM-UHFFFAOYSA-N 338.433 1.189 0 40 EDAB COC(=O)c1sccc1NC(=O)CN1C(=O)COc2ccccc21 15606668 XYVKIRNHTXQYJH-UHFFFAOYSA-N 346.364 1.899 0 40 EDAB CCN(CC)C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858244 BELGEMJCRMXCKQ-UHFFFAOYSA-N 344.820 1.889 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccccn2)CC1 71820818 DHYBCAKRJVDVED-UHFFFAOYSA-N 339.395 1.697 0 40 EDAB CN(CCC(=O)N(C)C)CC(=O)Nc1ccc(Br)cn1 68451562 UTRKPFZICBFHBB-UHFFFAOYSA-N 343.225 1.193 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(S(C)(=O)=O)c1 68529251 CXJNXIKLHHAUSP-MNOVXSKESA-N 341.433 1.515 0 40 EDAB O=C(NC[C@H](O)Cc1ccccc1)C1CCN(c2cnccn2)CC1 71856884 JDWWEGDNHVROTC-QGZVFWFLSA-N 340.427 1.413 0 40 EDAB Cc1cc(CS(=O)(=O)C[C@H](O)c2ccc3c(c2)OCCO3)on1 71825142 PMHRKYQIBMRPTL-ZDUSSCGKSA-N 339.369 1.403 0 40 EDAB Cc1nc(CN2CCC[C@H](N(C)CCOCC(F)(F)F)C2)no1 71870535 BDCJGIMQUWSXCK-LBPRGKRZSA-N 336.358 1.853 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)c3ccnc(-n4cncn4)c3)C2)c1 70036989 LTBMCUNSSAQILH-HNNXBMFYSA-N 337.387 1.645 0 40 EDAB CNC(=O)NC(=O)CCN(C[C@H](O)c1ccccc1)CC(C)(C)C 70039310 VWCKISJFSADDFA-HNNXBMFYSA-N 335.448 1.914 0 40 EDAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC(N(C)C)C1 95462486 LTKPRPHSALKGLX-AWEZNQCLSA-N 332.448 1.096 0 40 EDAB Cc1noc2ncc(C(=O)N3CSC[C@@H]3C(=O)NCC(C)C)cc12 69453272 JGVVNZLZCOMBOH-CYBMUJFWSA-N 348.428 1.819 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)CCn1nc2ccccn2c1=O 69620014 IQVGVVPWEXMFAL-HUUCEWRRSA-N 346.431 1.598 0 40 EDAB CCNC(=O)NC(=O)CNc1ccccc1CN1CCC(CO)CC1 69704073 UJVNTERSRPAZIU-UHFFFAOYSA-N 348.447 1.149 0 40 EDAB CC(C)(O)CN1CCN(C(=O)C[C@@H]2OCCc3ccsc32)CC1 69807856 FHEXXRRAFHMKOX-AWEZNQCLSA-N 338.473 1.667 0 40 EDAB Cc1nc2n(n1)C[C@H](N[C@H](C)C(=O)N1CCc3ccccc3C1)CC2 69951273 LGKJAHKWUIGYCN-CXAGYDPISA-N 339.443 1.464 0 40 EDAB COc1cccc(N2CCN(C(=O)COC[C@H]3CCOC3)CC2)c1 69921233 FDPCDPWWIZCKNG-HNNXBMFYSA-N 334.416 1.397 0 40 EDAB O=C(NCCn1cccc1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 95440829 OGFVCZRVFJDZNO-HUUCEWRRSA-N 333.388 1.615 0 40 EDAB Cc1cc(NC(=O)c2cncc(I)c2)nn1C 95441418 YXZADKWJFBWUDC-UHFFFAOYSA-N 342.140 1.980 0 40 EDAB Cc1ncc(CS(=O)(=O)CCn2cnc3ccccc3c2=O)s1 95419579 MIBRBAVHNKVEKO-UHFFFAOYSA-N 349.437 1.776 0 40 EDAB COC(=O)c1ccccc1CS(=O)(=O)N[C@H](C)[C@H](CO)SC 95443838 FYWNWWLHRQBKFS-MFKMUULPSA-N 347.458 1.005 0 40 EDAB Cc1ccc(-c2nc(CC(=O)O[C@H]3CCS(=O)(=O)C3)cs2)o1 84195544 PQEZIMHXHMKAEG-NSHDSACASA-N 341.410 1.984 0 40 EDAB CCOC(=O)N1CCN(C(=O)CNC2[C@H](C)CCC[C@H]2C)CC1 95462568 WDWODLOGGLULBE-ZIAGYGMSSA-N 325.453 1.701 0 40 EDAB Cc1noc(CCNC(=O)c2csc(Nc3ccccn3)n2)n1 72290167 WQZGIOLPQRXBCW-UHFFFAOYSA-N 330.373 1.946 0 40 EDAB CCc1csc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)n1 72285666 AXOKBUOCQCSDDV-TZMCWYRMSA-N 347.444 1.987 0 40 EDAB COc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](COC(C)=O)(O4)[C@@H]3C2=O)c1 409279346 GUPVJTOGRVMUHE-BSXFFOKHSA-N 343.335 1.071 0 40 EDAB COC(=O)c1cccn1C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 89407012 DKSXJTUFDAQZRW-UHFFFAOYSA-N 342.399 1.964 0 40 EDAB Cc1ccc([C@H](O)CNC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 75111339 OASDRMIAAVSTAW-MRXNPFEDSA-N 329.400 1.833 0 40 EDAB Cc1ccc(-c2nc(CN3CCO[C@H](Cn4cncn4)C3)no2)cc1 75132062 DQWYOIYTMAQLMC-HNNXBMFYSA-N 340.387 1.538 0 40 EDAB Cc1nnnn1-c1cccc(NS(=O)(=O)N(C)C2CCCC2)c1 89740993 BURDNLRKPNEWCH-UHFFFAOYSA-N 336.421 1.502 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)OCc2cccc3cccnc23)CC1 24119356 QNFKKXQGVDOQQE-UHFFFAOYSA-N 348.424 1.950 0 40 EDAB Cc1ncc2c(n1)C1(CCN(C(=O)c3ccco3)CC1)CN(C)C2=O 306138702 SESUIGFIKUYUES-UHFFFAOYSA-N 340.383 1.638 0 40 EDAB C[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1CNc1ncccn1 1039870940 MSJJGNHXSFEWIX-AAEUAGOBSA-N 342.403 1.114 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CC1 217529984 YEGJWXMHBPIGQO-SECBINFHSA-N 328.390 1.272 0 40 EDAB Cc1cn2nc(N[C@H]3CCN(C(=O)c4cc(F)c[nH]4)C3)ccc2n1 560408836 RKMUZSOKXQGVCT-LBPRGKRZSA-N 328.351 1.832 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)[C@H]1CCC(=O)N1Cc1ccco1 72239552 YCBXZPXJXDTUGI-OAHLLOKOSA-N 330.388 1.437 0 40 EDAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(Cc2ccon2)CC1 72722900 RAUIHCQGCHYUOU-CYBMUJFWSA-N 339.399 1.790 0 40 EDAB O=S1(=O)CCC[C@@H](CNCc2cnnn2Cc2ccccc2)C1 568824009 KPRHDSALJAJOGM-HNNXBMFYSA-N 334.445 1.241 0 40 EDAB O=C(NCc1nccc(N2CCOCC2)n1)Nc1ccc(F)cc1F 211096839 VWVWVWXQZCICLB-UHFFFAOYSA-N 349.341 1.913 0 40 EDAB Cc1cc(C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)nn1C 79048693 GRKMRZLREMBQGX-OAHLLOKOSA-N 338.371 1.561 0 40 EDAB COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(Cc2coc(C)n2)C1=O 569093304 XBCHIZMKJHSWHP-KRWDZBQOSA-N 327.340 1.885 0 40 EDAB CCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3cn[nH]c3)cc2)CCO1 1065336962 TYQHLBDBBVNKGQ-MRXNPFEDSA-N 342.399 1.444 0 40 EDAB COc1ccc(O[C@H]2COCCN(C(=O)c3cc(C)nn3C)C2)cc1 85435995 NIJFFIWKDKUKAR-MRXNPFEDSA-N 345.399 1.657 0 40 EDAB biogenic,in-vitro O=C(COc1ccc2c(c1)OCO2)Nc1cc(N2CCCC2)ncn1 75166304 ASOYHLVMRKNNCX-UHFFFAOYSA-N 342.355 1.823 0 40 EDAB COC(=O)[C@H](O)C1CCN(Cc2ccc(Br)o2)CC1 191445690 NRCBAJPFWMDWKO-GFCCVEGCSA-N 332.194 1.788 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 136306968 CVFJKTXJTUYOLX-NEBZKDRISA-N 344.367 1.087 0 40 EDAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)N1CCN(C)CC1 226851706 SFBKOIVVZDOPFO-OAHLLOKOSA-N 328.416 1.722 0 40 EDAB Cn1cc(C(=O)NC2CCN(C(=O)CNc3ccccc3)CC2)cn1 195543342 MJTMYOUFVQDGHA-UHFFFAOYSA-N 341.415 1.253 0 40 EDAB O=C(COc1cccc2cccnc12)NCCCN1CCOCC1 223136783 MSOQAWSBUXMWEB-UHFFFAOYSA-N 329.400 1.452 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)S2)CC1 225764997 MNBYJVGJABQHKY-WDEREUQCSA-N 344.433 1.415 0 40 EDAB Nc1nnc(COc2ccc(S(=O)(=O)N3CCCC3)cc2)s1 222644030 FZLBMGNDEJRBFM-UHFFFAOYSA-N 340.430 1.484 0 40 EDAB Cc1c(CCNC(=O)Nc2nnn[nH]2)c2cccc3c2n1CCC3 82038047 ROGONJMSBLQDGG-UHFFFAOYSA-N 325.376 1.773 0 40 EDAB CO[C@H]1COCC[C@H]1N1CCN(C(=O)/C=C/c2cncc(C)c2)CC1 585088216 PIKMCOHDCOTPHV-ZGQVYYGYSA-N 345.443 1.351 0 40 EDAB CN(C)C(=O)c1ccc(N2CCN(Cc3cccc(O)c3)CC2)nc1 96429369 WFRLUPUQCRKOEK-UHFFFAOYSA-N 340.427 1.811 0 40 EDAB O=S(=O)(N[C@H]1CCNC1)c1ccc(Br)c(Cl)c1 95467153 BXJFWJXLVDHZEW-ZETCQYMHSA-N 339.642 1.743 0 40 EDAB CC(=O)N1C[C@H](NC(=O)c2cc(C)nc(C)n2)CC[C@H]1C(F)(F)F 583620031 LACQFPRVGBPQHW-YPMHNXCESA-N 344.337 1.765 0 40 EDAB CCS(=O)(=O)N1C[C@H](N(C)Cc2ccco2)[C@@H]2OCCC[C@@H]21 96185993 YIEWUGGMTTUPEO-SOUVJXGZSA-N 328.434 1.293 0 40 EDAB O=C(Cc1ccsc1)NC[C@H]1Cn2nnc(-c3ccoc3)c2CO1 96199205 GGOKRKOEVDRPMC-ZDUSSCGKSA-N 344.396 1.857 0 40 EDAB O=C([C@@H]1CCOC1)N1CC[C@@]2(CCCN(Cc3nccs3)C2)C1 96158103 XPKRLHRWHYBYSJ-RHSMWYFYSA-N 335.473 1.994 0 40 EDAB O=C1COC2(CCN(Cc3ccccn3)CC2)CN1c1cncnc1 96159146 WREPLFBLSUYLEN-UHFFFAOYSA-N 339.399 1.270 0 40 EDAB CC(=O)OCCN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 585119056 OBOVYVQLDMORQP-UHFFFAOYSA-N 334.372 1.309 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCc2ncc[nH]2)C1 585134177 GROOOUMXWLEYGB-INIZCTEOSA-N 338.408 1.178 0 40 EDAB COc1ncccc1C(=O)N1CC[C@@H]2O[C@@H](c3nnc(C)o3)C[C@H]2C1 96070561 WCRYNGOVYHDJDK-FPMFFAJLSA-N 344.371 1.774 0 40 EDAB CCS(=O)(=O)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 96239745 MOMKQNMAZOQSJV-CYBMUJFWSA-N 346.403 1.364 0 40 EDAB Cn1cc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)cn1 96199900 HVSJHQNWBJLJBY-MRXNPFEDSA-N 325.416 1.453 0 40 EDAB Cn1cc(CN2CC[C@@H]3O[C@H](COCC4CCOCC4)CC[C@@H]32)cn1 96186096 LUYJVOSCPYODNM-FHWLQOOXSA-N 349.475 1.985 0 40 EDAB Cn1ccnc1CN1C[C@H]2OCC(=O)N(Cc3cccc(F)c3)[C@@H]2C1 96081650 YQLWAAXPMGVPDZ-HZPDHXFCSA-N 344.390 1.171 0 40 EDAB Cc1cnn(CCCNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1 96420729 VOEQXYLOFHAOMU-SFHVURJKSA-N 342.443 1.599 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N1CCN([C@H](C)c2ccsc2)CC1 96503146 LEBKHHIDAHUAIG-UONOGXRCSA-N 348.476 1.817 0 40 EDAB COc1ccc(CN2CCN(C(C)=O)C[C@@]3(CC(=O)N(C)C3)C2)cc1 97952739 IIANKUMIMVBQDX-LJQANCHMSA-N 345.443 1.208 0 40 EDAB O=C(c1ccnnc1)N1CC[C@]2(C[C@@H](OCC3CCOCC3)CO2)C1 96218299 UUUFASQUXQCSPQ-AEFFLSMTSA-N 347.415 1.293 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)CN)cc1 242495740 GPAMHLUBMHNDQF-KURKYZTESA-N 330.453 1.899 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 347516362 PIOLHVGFBUCQBS-NSHDSACASA-N 326.418 1.421 0 40 EDAB O=C(CNc1cc2c(cc1Cl)NC(=O)CO2)NCC(F)(F)F 25748412 NOXIWYUHIXEMKW-UHFFFAOYSA-N 337.685 1.761 0 40 EDAB CC(=O)N1CCC(c2nccnc2CNC(=O)c2coc(C)n2)CC1 257251568 JRHCICYMDWQEPE-UHFFFAOYSA-N 343.387 1.429 0 40 EDAB CNc1cc(N2CC[C@@](O)(CNC(=O)c3cc(C)cs3)C2)ncn1 257326067 WVQURSPAGGRMIS-MRXNPFEDSA-N 347.444 1.259 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCC[C@@H]1CCc1ccncc1 257206271 BCQVCFWPVVNOJB-OAHLLOKOSA-N 325.434 1.056 0 40 EDAB Cc1noc([C@H]2CN(C(=O)Cn3ccnc3)C[C@@H]2c2ccccc2)n1 253473618 WTWSRUCGFNNSOW-CVEARBPZSA-N 337.383 1.984 0 40 EDAB CN(c1ccncn1)C1CC2(CCN(C(=O)CCn3ccnc3)C2)C1 257284264 PBZFKBJIBIAQEA-UHFFFAOYSA-N 340.431 1.581 0 40 EDAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C[C@H]1C(N)=O 257325216 WRYYQVRSRWYWGW-HNNXBMFYSA-N 343.383 1.246 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)c3ccc(OC)nc3)CCO2)n1 257339894 ZDPITSXMUNWYMP-AWEZNQCLSA-N 328.372 1.741 0 40 EDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)Cc2c[nH]cn2)n1 257318057 VMHGTVDDUMLSAI-MRXNPFEDSA-N 327.388 1.347 0 40 EDAB COc1ccccc1CCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 25815188 NNNAPBWNNIUMGP-AWEZNQCLSA-N 340.445 1.168 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)[C@H](CO)c2ccc(F)cc2)C1 252488053 IIDVITFNSKXVGW-IAGOWNOFSA-N 338.423 1.375 0 40 EDAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3sccc3C)C2)ncn1 257207238 BGYZEFNZPLIRAK-KRWDZBQOSA-N 346.456 1.868 0 40 EDAB CN(C)C(=O)C[C@H]1CC[C@@H](CNC(=O)c2n[nH]c3ccccc23)N1C 257236191 HBCZXQOYHKYCET-OLZOCXBDSA-N 343.431 1.234 0 40 EDAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCN(C(=O)CN)C2)n1 257328604 XGKFCMMOZDTLJV-NSHDSACASA-N 332.433 1.568 0 40 EDAB Cc1nn(C)cc1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257228601 FUNMHMNNWDZCPH-OAHLLOKOSA-N 342.390 1.037 0 40 EDAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CCN)CCO2)n1 257340910 ZIAPKIUMZBWFIR-MRXNPFEDSA-N 344.415 1.856 0 40 EDAB O=C([C@@H]1CC[C@@H]1c1ccc(F)cc1)N1CC(C2CS(=O)(=O)C2)C1 530265643 ADZHGFTXWBHRML-HZPDHXFCSA-N 337.416 1.822 0 40 EDAB Cc1c(C(=O)N2CC(Nc3cccnn3)C2)cnn1-c1ccccc1 618255910 KQESZTKWUKIWPO-UHFFFAOYSA-N 334.383 1.907 0 40 EDAB COc1ccc(Cl)cc1[C@@H](O)CNC(=O)C12CC(C(=O)O)(C1)C2 1607264449 CKJLYHCVKKFUQM-SOISORPOSA-N 339.775 1.753 0 40 EDAB CCc1ccc(Br)cc1C(=O)NCc1nc(=O)o[nH]1 1614999102 QWKKYAVDMRGMPM-UHFFFAOYSA-N 326.150 1.618 0 40 EDAB CCn1ccc2ccn(CCNC(=O)c3c(C)noc3C)c(=O)c21 575605731 HBLFSVZWMANJDL-UHFFFAOYSA-N 328.372 1.858 0 40 EDAB Cc1ccc(OC[C@@]2(O)COCCN(C(=O)c3nccn3C)C2)cc1 585277815 YCJUMULGQXYLNP-SFHVURJKSA-N 345.399 1.011 0 40 EDAB COC(=O)c1cc(S(=O)(=O)Nc2c(C)noc2C)ccc1O 63476175 WMUHPFLTDFGRLQ-UHFFFAOYSA-N 326.330 1.584 0 40 EDAB Cn1nccc1C(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 585108849 VWTQKZARBSHLBI-XIRDDKMYSA-N 342.399 1.404 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCC4(CCC4)S(=O)(=O)CC3)c2n1 1550813791 KHTNXJCEAQKSRT-UHFFFAOYSA-N 348.428 1.221 0 40 EDAB Cc1ccc(-n2nnc(C(=O)NCCN3CCOC[C@@H]3C)c2C)cc1 72273945 INLCBGJSTJMVHT-AWEZNQCLSA-N 343.431 1.335 0 40 EDAB CSc1ncc(Cl)c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)n1 37164493 CPANDEONPZWAGB-NSHDSACASA-N 335.838 1.159 0 40 EDAB CCCC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2cnn(C)c2)CC1 74396427 MQUQOXLESSWRBD-INIZCTEOSA-N 347.463 1.250 0 40 EDAB Cc1noc(C)c1CC(=O)NCc1ccc(N2CCN(C)CC2)nc1 40487869 FUJOUUWAKZPYBS-UHFFFAOYSA-N 343.431 1.297 0 40 EDAB C[C@H](CNC(=O)C1(C(N)=O)CC1)Oc1cccc(Br)c1 81303497 YAPPFAWLQGBMJV-SECBINFHSA-N 341.205 1.598 0 40 EDAB CC[C@H]1C(=O)NCCN1CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 76417643 QTGDOTULNXSAIZ-NHYWBVRUSA-N 339.386 1.695 0 40 EDAB CCOc1ccc(CC(=O)N2CCC(S(C)(=O)=O)CC2)cc1 96098189 MQXNGDUZYQNIBF-UHFFFAOYSA-N 325.430 1.663 0 40 EDAB CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)NC(=O)NC 5430247 MURKUICDMKRTCQ-LLVKDONJSA-N 347.444 1.825 0 40 EDAB C/C(NC[C@@H]1CCCO1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 5901343 IBNZVIGLVYTGNB-UQRISPGASA-N 329.356 1.312 0 40 EDAB COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1cccc(F)c1 13582719 VWSSGGXGLTVPHH-FHIRATQRSA-N 338.331 1.212 0 40 EDAB O=C(NC1CCC2(CC1)CNC(=O)c1ccccc1O2)c1ccno1 19374839 WQZFBEMLTCCLFI-UHFFFAOYSA-N 341.367 1.908 0 40 EDAB [O-][n+]1ccccc1[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 19815463 IDSQAKYZRACYGQ-KRWDZBQOSA-N 333.819 1.829 0 40 EDAB O=C(C1CCCC1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 207981956 WFZYYEOWQRGNKJ-UHFFFAOYSA-N 345.447 1.152 0 40 EDAB O=C(Nc1nn(CC(F)(F)F)cc1Br)[C@H]1CCCO1 585125483 VABLMQIKTAQGSO-SSDOTTSWSA-N 342.115 2.325 0 40 EDAB Cc1nc(N2C[C@@H]3CN(c4ncc(F)cn4)C[C@@H]3C2)nc(O)c1F 1888855782 JLOFFCYWKLRYCJ-AOOOYVTPSA-N 334.330 1.131 0 40 EDAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(C)nn1 1888914093 CTUNMSMIUZPKEQ-UHFFFAOYSA-N 334.376 1.176 0 40 EDAB CCc1ncnc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)c1F 1889104368 CRHSCYFUSJJNMW-JTQLQIEISA-N 328.413 1.229 0 40 EDAB CCN=c1nc(N2CCN(c3nc4ccccc4nc3C)CC2)cc[nH]1 1889186496 UARVIUBSTUABQE-UHFFFAOYSA-N 349.442 1.909 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 23409044 YDELWNKITLJBKA-WMZOPIPTSA-N 348.443 1.058 0 40 EDAB O=C(c1cnccn1)N1CCC[C@@](O)(COc2ccccc2)CC1 2037905660 ZYSNXLVVVBRQTQ-SFHVURJKSA-N 327.384 1.913 0 40 EDAB Cc1cc(=O)n2c(n1)CC[C@]1(CCN(C(=O)CN(C)C(C)C)C1)CC2 1614937882 SMJIAGVFFOIHRS-IBGZPJMESA-N 346.475 1.447 0 40 EDAB Cc1ncnc(OCC2CCN(C(=O)c3ccn(C)n3)CC2)c1C 1565522130 IWVNFXPDMOPSKC-UHFFFAOYSA-N 329.404 1.758 0 40 EDAB O=C(NC1CCC1)C1=NO[C@@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]12 1565544914 UOULERYHLPAOHX-SMDDNHRTSA-N 344.371 1.048 0 40 EDAB CC(C)N(C)C[C@@H]1CN(C(=O)[C@H]2[C@H]3COC[C@H]32)Cc2nccn2C1 1565542520 KWGDICJEPFTOKH-MPTYRVRUSA-N 332.448 1.074 0 40 EDAB O=C(C1=COCCO1)N1CCN(c2nc3ccccc3s2)CC1 4275446 MNFIFLBRUGYVQK-UHFFFAOYSA-N 331.397 1.833 0 40 EDAB Cc1c(CN[C@H]2CCc3onc(CN4CCCC4)c3C2)cnn1C 2055734737 PMLCQEYTCKPUFS-HNNXBMFYSA-N 329.448 1.959 0 40 EDAB O=C(NC1CCN(c2cnsn2)CC1)c1ccc2c(c1)OCO2 575617064 XCAZQRBDFDIICY-UHFFFAOYSA-N 332.385 1.666 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccccc1F 12460517 BDIYOLJSIVGYCD-UHFFFAOYSA-N 327.315 1.858 0 40 EDAB CCc1nsc(N2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)n1 96432241 UFTCZGDOXRIGIU-UHFFFAOYSA-N 346.460 1.524 0 40 EDAB O=C(CNC(=O)Nc1ccccc1)NCc1ccc2c(c1)OCCO2 25956845 SMTZGUIPVVVQRD-UHFFFAOYSA-N 341.367 1.896 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)NCCCCOc1ccccc1 30571278 UZCSVNIBXKPOPU-HNNXBMFYSA-N 340.445 1.386 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccnc(OC3CCCC3)c2)CC1 31155356 QZEVPPVFEDMUAD-UHFFFAOYSA-N 346.431 1.810 0 40 EDAB Cc1nc(CN2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)cs1 31260853 HQBMIRCSRIRRQD-UHFFFAOYSA-N 347.488 1.689 0 40 EDAB O=C(NCc1cccnc1N1CCOCC1)c1n[nH]c2ccccc12 31328518 VCIVSPLDEHZVFE-UHFFFAOYSA-N 337.383 1.725 0 40 EDAB COC(=O)C[C@H](NC(=O)c1cnn(C)c1)c1ccc(OC)c(OC)c1 31495488 FSTCUPNGLUCYSI-ZDUSSCGKSA-N 347.371 1.472 0 40 EDAB O=C1[C@H]2ON3CCOC[C@@H]3[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100920553 QNBXMUGKYKVTDB-WOPDTQHZSA-N 342.273 1.209 0 40 EDAB Cc1ccn2c(=O)c(C(=O)Nc3nnc(C4CC4)s3)cnc2c1 40527779 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0 40 EDAB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)O 2556552 GYLAFPKEPIVJKM-WDEREUQCSA-N 346.449 1.708 0 40 EDAB C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@H](C)O1 47823917 HBAZFNAVCLLSOD-UWVGGRQHSA-N 329.194 1.247 0 40 EDAB CCOc1ccc(NC(=O)C[C@@H](NC[C@H]2CCCO2)C(=O)O)cc1 4318878 UGKFLDMVKLTRSI-HUUCEWRRSA-N 336.388 1.636 0 40 EDAB COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)c1 6050399 KENMKQYKHIVTAB-AWEZNQCLSA-N 329.360 1.922 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)CNCc2cccs2)cc1 6528242 VGEXNESFYDJFHF-UHFFFAOYSA-N 325.415 1.124 0 40 EDAB NC(=O)C1(CNC(=O)Cc2c(F)cccc2Cl)CCOCC1 47930911 HUSUKCPABAUQHP-UHFFFAOYSA-N 328.771 1.420 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)NCCn1ccnc1 43310569 NWCGVUBPQJOWIB-AWEZNQCLSA-N 330.388 1.755 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(OCC(C)C)cc1 25020123 QRWXARFWFCGJGH-OAHLLOKOSA-N 348.399 1.225 0 40 EDAB C[C@H](O)CN1CCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@@H]1C 106868101 GRQBEGHJLNCCCN-DEYYWGMASA-N 349.450 1.532 0 40 EDAB COCCn1c(N)c(Sc2ccc(Cl)cc2)c(=O)[nH]c1=O 3262849 IYZXCXNFFIBCGJ-UHFFFAOYSA-N 327.793 1.570 0 40 EDAB O=C(NCc1nc(C2CC2)no1)c1ccc(Cn2ccccc2=O)o1 55706636 WXVHTLAHBYPTIG-UHFFFAOYSA-N 340.339 1.680 0 40 EDAB CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 3296036 GLHJXPLXRIUMEC-UHFFFAOYSA-N 325.825 1.931 0 40 EDAB CNC(=O)NC(=O)CN(C)c1ccc(I)cc1 55906459 FEOYHZLQOQBQRI-UHFFFAOYSA-N 347.156 1.183 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)n1 56071840 RDRFQRSQOOWKCW-MJBXVCDLSA-N 342.509 1.948 0 40 EDAB CC(=O)N1CCC(NC(=O)NC[C@@H](C)Cn2nc(C)cc2C)CC1 89594053 SOZADPKMYOMCGJ-GFCCVEGCSA-N 335.452 1.446 0 40 EDAB COc1cccc(NC(=O)Nc2cnn(C[C@H](O)CN(C)OC)c2)c1 75143648 NZTFDVXPWNQJBA-CQSZACIVSA-N 349.391 1.390 0 40 EDAB COc1ccc(-c2nc(C(=O)O[C@H](C)C(N)=O)cs2)cc1OC 25842324 ISGIJYJFEMPKKA-MRVPVSSYSA-N 336.369 1.858 0 40 EDAB COc1cc(OC)cc(OC[C@H](O)Cn2nnc3ccccc32)c1 27755889 UHTMBQFJHHAZMY-GFCCVEGCSA-N 329.356 1.888 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)N(C(C)C)C(C)C 26398590 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Cn1cc(C(=O)NC2CCN(Cc3nnc(C(C)(C)C)o3)CC2)cn1 44950328 IXITZFXHLXMVHZ-UHFFFAOYSA-N 346.435 1.495 0 40 EDAB O=C(NCCCCOc1ccccc1)N[C@H]1CCS(=O)(=O)C1 44946089 XMOUQBAMWHXWDS-ZDUSSCGKSA-N 326.418 1.332 0 40 EDAB O=C(NCCCNCCCNC(=O)c1cccnc1)c1cccnc1 2201035 IAPJKNQFEWCCQC-UHFFFAOYSA-N 341.415 1.006 0 40 EDAB Cc1cnn(Cc2ccc(NC(=O)[C@H](C)N3CCN(C)CC3)cc2)c1 95394506 FDTJMZRIHQYOGV-INIZCTEOSA-N 341.459 1.814 0 40 EDAB CS(=O)(=O)NCCNC(=O)c1cc2c(s1)CCCCCC2 29678134 HMNMKRPKJRCEOK-UHFFFAOYSA-N 330.475 1.686 0 40 EDAB COc1ccc(CCC(=O)N(C)C[C@@H](C)c2nnn[nH]2)cc1OC 95939707 QSOKRGYCFLZHPK-LLVKDONJSA-N 333.392 1.412 0 40 EDAB Cc1nnc(Cn2nnc(Cc3cccc(Br)c3)n2)o1 95982662 FTJFDCZPDIDEOC-UHFFFAOYSA-N 335.165 1.766 0 40 EDAB O=c1ccc(-c2ccc(F)c(F)c2)nn1CC1(O)C[C@@H]2CC[C@@H](C1)N2 100736833 NOKIGKYRRAFYLY-STQMWFEESA-N 347.365 1.834 0 40 EDAB CS(=O)(=O)N1CC[C@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1 108529088 ZIIZKLGUBLRJKQ-DGCLKSJQSA-N 336.404 1.352 0 40 EDAB CC(C)OC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 100634739 RPLVXQQSZPUKAE-IUVQAAGXSA-N 327.380 1.920 0 40 EDAB CC(C)=CC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 3446865 BJSAANIPBRXNLX-UHFFFAOYSA-N 340.401 1.385 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2cccnc2N)c1 12927228 CJNRUOKZHYIJEZ-UHFFFAOYSA-N 343.339 1.554 0 40 EDAB CC(C)CC[C@@H](C)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 12953062 JSURWUXMSYJRHP-LLVKDONJSA-N 334.463 1.437 0 40 EDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1 71287189 OARIARQZRGYDBR-STQMWFEESA-N 348.355 1.186 0 40 EDAB CN(C)C(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1Cl 71285289 FUIXJGRZCVPFCP-UHFFFAOYSA-N 348.746 1.782 0 40 EDAB CCOC(=O)C1CCN(C(=O)COC(=O)[C@H]2CCSC2)CC1 84792556 REPZJYHAOQCXRF-LBPRGKRZSA-N 329.418 1.084 0 40 EDAB CCCNC(=O)COc1ccc(S(=O)(=O)NCCC)cc1Cl 408531043 LPOWAUXOGXVIEF-UHFFFAOYSA-N 348.852 1.933 0 40 EDAB CCN1CC[C@H](CNC(=O)NCc2nncn2-c2ccccc2)C1 65417446 UYOSUEHMJGQYFX-CQSZACIVSA-N 328.420 1.408 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)N[C@H]2CCc3ccccc32)CC1 65439541 KVKRIOVUTSHFJY-HNNXBMFYSA-N 337.445 1.397 0 40 EDAB COC(=O)c1cc(C(=O)NCC[C@H]2CCCO2)n(-c2ccccc2)n1 65493702 XOAWXCIQSPUFRG-CQSZACIVSA-N 343.383 1.958 0 40 EDAB CCOC(=O)CSCC(=O)Nc1ccc(N2CCOCC2)cc1 6361867 LSUMCYABNBMXIQ-UHFFFAOYSA-N 338.429 1.758 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@H](NC(=O)CC)c2ccccc2)CC1 65503980 WXAIEKJYPMNAHX-MRXNPFEDSA-N 347.415 1.555 0 40 EDAB CC(C)c1nc(CN2CCc3ncnc(N4CCOCC4)c3C2)no1 65513459 KKAMJLNHTZCVCT-UHFFFAOYSA-N 344.419 1.378 0 40 EDAB CN1CCO[C@H](C(=O)NCc2ccn(-c3c(F)cccc3F)n2)C1 95441470 BBCSKUUQKWSXAU-AWEZNQCLSA-N 336.342 1.097 0 40 EDAB CCOC(=O)Nc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1 14332267 OZVUANVYYRRLIA-UHFFFAOYSA-N 348.384 1.992 0 40 EDAB CCOC(=O)CNC(=O)c1ccccc1I 4673097 KJACXWWHANALLN-UHFFFAOYSA-N 333.125 1.584 0 40 EDAB CC(C)n1c(CNC(=O)CNC(=O)c2ccccc2)n[nH]c1=S 66639184 ZTAQWXYFTQTMAF-UHFFFAOYSA-N 333.417 1.568 0 40 EDAB CCOc1ccc(CNCCCSc2nnnn2C)cc1OC 4993818 CVMCJWBGPRSQNG-UHFFFAOYSA-N 337.449 1.889 0 40 EDAB Cc1ccc(CN2C[C@H](C(=O)N3CCC(C(=O)O)CC3)CC2=O)cc1 67244991 ALBVGDOOCCCZGW-MRXNPFEDSA-N 344.411 1.667 0 40 EDAB Cc1ccc2c(CSc3nnc(C)c(=O)n3N)cc(=O)oc2c1C 5994626 NZXQVIYRNFHRPO-UHFFFAOYSA-N 344.396 1.676 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)NCCc1ccccc1F 15537673 AKRJFXMUVVVDLZ-UHFFFAOYSA-N 326.331 1.290 0 40 EDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(F)c2)c2ccccc2O1 7253530 HVSZBHMKRDUDGR-INIZCTEOSA-N 343.358 1.778 0 40 EDAB O=c1onc(-c2cccs2)n1Cc1cc(=O)n2ccsc2n1 67650487 OVHFSYASYWYHTL-UHFFFAOYSA-N 332.366 1.683 0 40 EDAB COc1ccc([C@H](C)NC[C@H]2CCCN2S(C)(=O)=O)c(F)c1 90799482 XLTGUBDDOLHHLC-NWDGAFQWSA-N 330.425 1.909 0 40 EDAB C[C@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccccn1 69044704 NRQFJOCFSMUDCB-LBPRGKRZSA-N 340.449 1.161 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2ccc(-n3cncn3)cc2)CC1 69351293 CNIKWQLGWMZTCP-OAHLLOKOSA-N 329.448 1.450 0 40 EDAB Cc1cc(CN2CCN(C[C@H](O)COCc3ccco3)CC2)no1 69325721 MDLJLQZJYMPJDN-INIZCTEOSA-N 335.404 1.271 0 40 EDAB CCn1ccnc1CN1CCN(C[C@@H](O)CN2CCC(C)CC2)CC1 69418455 NVZPODQETFPBCR-SFHVURJKSA-N 349.523 1.113 0 40 EDAB CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(N2CCOCC2)c1 69433017 QSIJHSFVBXMVLF-OAHLLOKOSA-N 349.456 1.773 0 40 EDAB CCn1ccnc1CN1CCN(c2nn3cc(C)nc3s2)CC1 69420667 ZCOJOKABCPXDMK-UHFFFAOYSA-N 331.449 1.638 0 40 EDAB COc1cc2c(cc1OC)S(=O)(=O)N(Cc1cc(C)no1)C2=O 69513794 GGUIPNQCDZFCNF-UHFFFAOYSA-N 338.341 1.345 0 40 EDAB C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@@H]1Cn1cncn1 69664888 LZGJOTXAXMRUDO-RHSMWYFYSA-N 345.422 1.629 0 40 EDAB CCc1nc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)sc1C 69628569 NDPKFUPKFHGTPV-CYBMUJFWSA-N 348.476 1.956 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](O)C1)N1CCN(c2ccc(F)cc2)CC1 71897836 IDRXRLNFZQYVSJ-RHSMWYFYSA-N 335.423 1.320 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1C[C@@H](C)OC(C)(C)C1 69743303 QUWFISHEUPVORO-SNVBAGLBSA-N 332.404 1.208 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(Br)cc2)CC1 69773699 ZIGCLIHXJPWVQC-NSHDSACASA-N 327.222 1.588 0 40 EDAB C[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)[C@H](O)c1ccc(F)cc1 69778140 YWNFJRBRYQAKHJ-BMIGLBTASA-N 341.342 1.914 0 40 EDAB CN(Cc1cccc(C(N)=O)c1)C(=O)[C@H](Cc1ccccc1)N(C)C 71883662 LMRAKBRQBFUKMN-SFHVURJKSA-N 339.439 1.917 0 40 EDAB Cc1csc(N2CCN(CC(=O)NC3CCOCC3)C[C@@H]2C)n1 69879487 YVBUMXZEPPAYLX-ZDUSSCGKSA-N 338.477 1.257 0 40 EDAB CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(N)=O)c1cccc(F)c1 69813803 ULGRLEZJIFPGJR-MRXNPFEDSA-N 341.346 1.255 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2csc(Br)c2)CC1 69869963 AQGQHOAVWCAGDM-VIFPVBQESA-N 333.251 1.649 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)NCc1ccccc1F 69924385 HKESPNHWLICGJG-ROUUACIJSA-N 347.434 1.917 0 40 EDAB C[C@H](NS(C)(=O)=O)C(=O)NC(C)(C)Cc1ccccc1Cl 73367228 KRVFORXRPVHMNZ-JTQLQIEISA-N 332.853 1.715 0 40 EDAB Cc1ccc(C)c(NC(=O)CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 71904651 IISWZWNPDIMMMO-ZIAGYGMSSA-N 326.462 1.995 0 40 EDAB CN1CCO[C@@H](CNC[C@H](O)COc2ccc(Cl)cc2Cl)C1 72254057 GPCOZDJLKWBIIT-STQMWFEESA-N 349.258 1.653 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)[C@H]2CCCN(c3cnccn3)C2)cn1 72255050 DLNKJDMXBQLEPW-HOCLYGCPSA-N 340.431 1.790 0 40 EDAB CN(CCN1CCOCC1)C(=O)NCc1ccccc1N1CCCC1 72274249 WHMNLRMGTKECFB-UHFFFAOYSA-N 346.475 1.760 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2ccn(C)c(=O)c2)n1 72279945 RYEBHUKHVJGEFK-INIZCTEOSA-N 328.416 1.894 0 40 EDAB O=C(c1cccc2ncccc12)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72268972 MUMJWKLJYNOARH-MSOLQXFVSA-N 325.412 1.906 0 40 EDAB O=C(Nc1cncnc1N1CCCC1)c1ccc(-n2cnnc2)cc1 97138211 FEOQPBAAVZZRFK-UHFFFAOYSA-N 335.371 1.910 0 40 EDAB CS[C@@H]1CN(c2c(C)c(C)nc3ncnn23)C[C@@H]1N1CCCC1 95946028 QGNGPGDFQABHID-UONOGXRCSA-N 332.477 1.757 0 40 EDAB COc1cc(C)cc(CNC(=O)NCC2CCS(=O)(=O)CC2)c1 95975194 WWANHDGEFMLTGM-UHFFFAOYSA-N 340.445 1.628 0 40 EDAB COc1cccc(-c2noc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)c1 174853902 GPRSTZQAFNLQQS-GFCCVEGCSA-N 337.401 1.884 0 40 EDAB CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1COCCO1 110640048 PHMGYENDHPCZOS-ZWKOTPCHSA-N 332.444 1.772 0 40 EDAB CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ccc4oc(O)nc4c3)C[C@H]2C1 1009789682 YSPLEYBFPIDNKH-MGPQQGTHSA-N 343.383 1.910 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(c2nccn3ccnc23)CC1 306139948 UEZUFLRSGHRGDG-UHFFFAOYSA-N 335.411 1.929 0 40 EDAB O=C(CCn1cnnn1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 524733926 FECJKIDQTQMOIZ-UHFFFAOYSA-N 344.356 1.554 0 40 EDAB NC1=NC(=O)[C@](Cc2ccco2)(c2ccc(Br)cc2)N1 71974983 XJWFKXLQYBEGND-AWEZNQCLSA-N 334.173 1.925 0 40 EDAB O=C(CN1CCC[C@H](c2ccn[nH]2)C1)NC[C@@H]1Cc2ccccc2O1 72270717 NNRJDNIPUOQKLY-HOTGVXAUSA-N 340.427 1.709 0 40 EDAB COCc1nnc(NC(=O)Cn2sc3ccccc3c2=O)s1 36353668 FBKWLEBWDJAFGX-UHFFFAOYSA-N 336.398 1.700 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)N1CCC[C@H]1c1ccsc1 69742516 MZBSGQHSAUOFFT-KBPBESRZSA-N 331.445 1.608 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 70639763 QIPYVZJMABVVBO-GOSISDBHSA-N 342.351 1.378 0 40 EDAB O=C(NC[C@@]1(O)CCCc2occc21)[C@@H]1COc2ccccc2O1 1565523018 XJXPRGBJKAVCLD-WMZOPIPTSA-N 329.352 1.760 0 40 EDAB CC[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 77735451 HNDNPLVKAXIORR-GHMZBOCLSA-N 333.367 1.896 0 40 EDAB FC(F)(F)c1ccnc(N2CCN(CCCc3cn[nH]c3)CC2)n1 75716808 XWIRABFGPLSNMY-UHFFFAOYSA-N 340.353 1.973 0 40 EDAB CC(C)N1CNC(=O)C12CCN(C[C@@H]1COc3ccccc3O1)CC2 31719925 QMWZZIQXAKKQIM-OAHLLOKOSA-N 345.443 1.459 0 40 EDAB COCCOCCOCCOCCCCCCP(=O)(O)O 39337609 CTXUIHUMASKPBR-UHFFFAOYSA-N 328.342 1.421 0 40 EDAB Cc1nc([C@@H]2CN(C3CCOCC3)CCO2)cc(N2CCCC2)n1 72387735 QKCONLXTFDVWTJ-KRWDZBQOSA-N 332.448 1.938 0 40 EDAB C[C@H](c1cccnc1)N1CCN(C(=O)CCCn2ccnc2)CC1 79352901 KBPXPCMIRUFWGF-MRXNPFEDSA-N 327.432 1.964 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1 40497256 VFZMJFZRWJRYDG-UHFFFAOYSA-N 335.429 1.251 0 40 EDAB COc1cc(/C=C/C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cc(OC)c1 69770676 LFFTZCKCIDSTIB-YFCVBGDOSA-N 344.367 1.123 0 40 EDAB O=C(Cc1ccc(I)cc1)NCc1cc[nH]n1 225414139 SSRDTTQDLAWCKN-UHFFFAOYSA-N 341.152 1.873 0 40 EDAB O=C(NCc1ccccc1F)c1coc(NC(=O)c2cnccn2)n1 75157991 SSMYPYOLDIQVHI-UHFFFAOYSA-N 341.302 1.786 0 40 EDAB CCOC(=O)c1cccc(NC(=S)NCCN2CCCC2=O)c1 225812348 KUYYMXWBJCJASI-UHFFFAOYSA-N 335.429 1.772 0 40 EDAB C[C@H]1CS(=O)(=O)CCN1C(=O)Cc1cc(-c2ccccc2)on1 81434158 GCAZJTQXYOKOMV-LBPRGKRZSA-N 334.397 1.530 0 40 EDAB COc1ccc(-n2cnc(C(=O)NCCCn3ccnc3)c2)cc1 226753518 HMUGNWLVYQKEDH-UHFFFAOYSA-N 325.372 1.898 0 40 EDAB c1ccc(Cn2nnnc2CN2CCC(N3CCCC3)CC2)cc1 48299730 VKWVZYBVOXCNKU-UHFFFAOYSA-N 326.448 1.782 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)c1nnn(-c2ccccc2Cl)c1C)C(N)=O 69817318 MQPUQMWDHLWEPD-NOZJJQNGSA-N 349.822 1.859 0 40 EDAB CCOC(=O)c1cc(-c2ccc(C)c(C)c2)nn(CC(N)=O)c1=O 225965774 NTLUUABNXVNOFD-UHFFFAOYSA-N 329.356 1.189 0 40 EDAB NC(=O)C1CCN(C(=O)Cn2ccc(=O)c3ccc(Cl)cc32)CC1 225735832 ZLGPEKZYJOQHEA-UHFFFAOYSA-N 347.802 1.379 0 40 EDAB COc1cc2c(cc1S(=O)(=O)NCCCN(C)C)CCCC2 223012296 LIKHONWGZQGSMX-UHFFFAOYSA-N 326.462 1.804 0 40 EDAB CNC(=O)c1cccc(NC(=O)c2cc(NC(=O)C3CC3)n(C)n2)c1 46089107 QUFFANSLSOIUNC-UHFFFAOYSA-N 341.371 1.381 0 40 EDAB Cn1cccc1C(=O)N1CCC[C@@]2(C[C@H](Nc3cnccn3)CO2)C1 96073773 MPILFHOWPXEKAO-KBXCAEBGSA-N 341.415 1.691 0 40 EDAB O=C(c1cscn1)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 96042122 SJIYUPUTKRGRTM-SOUVJXGZSA-N 331.397 1.989 0 40 EDAB O=C([C@H]1CCCO1)N1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96159431 WIWRUMHGORIYOC-QAPCUYQASA-N 329.400 1.212 0 40 EDAB CC(C)NC(=O)N1CCc2nc(C(=O)N3CCCC3)sc2CC1 96264803 FLGZKQYIQSITEU-UHFFFAOYSA-N 336.461 1.898 0 40 EDAB Cc1ccoc1C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 96185620 ITPFLNDNKNNIEU-ILXRZTDVSA-N 329.404 1.415 0 40 EDAB O=C(Cc1ccc2c(c1)OCC2)NCCCc1nnc2ccccn12 95479849 SFNBGIOLYOBMQV-UHFFFAOYSA-N 336.395 1.956 0 40 EDAB C[C@@H](NC(=O)Cn1ccc2cc(Br)ccc21)C(=O)O 98041229 LJKFNOVYYACCFK-MRVPVSSYSA-N 325.162 1.993 0 40 EDAB CCCN1CCCn2c(nc(CNC(=O)c3cnoc3C)cc2=O)C1 96197676 JLOYUHISLGIHCM-UHFFFAOYSA-N 345.403 1.085 0 40 EDAB Cc1ccc2c(CN(C)C[C@@H]3CCS(=O)(=O)C3)cc(=O)oc2c1 96419673 ZIKAYZRIGDZVHN-ZDUSSCGKSA-N 335.425 1.968 0 40 EDAB Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)N2CCCO2)C1 97953383 CYUULADGFRIDRF-GDBMZVCRSA-N 337.445 1.596 0 40 EDAB Cc1cccc(CN2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)n1 96224184 YBEUDMWVBQYCER-LJQANCHMSA-N 344.459 1.293 0 40 EDAB Cc1ccc(NCc2cnc3n2CCN(c2ncccn2)CC3)nn1 96197133 QVICFODOYCRSJP-UHFFFAOYSA-N 336.403 1.446 0 40 EDAB Cn1c(CC(F)(F)F)nnc1N1CC[C@H](Oc2ccccn2)C1 580645889 BKVCYPMJKYLIAL-JTQLQIEISA-N 327.310 1.973 0 40 EDAB O=C([C@H]1CCCCN1Cc1ccc(F)cc1)N1CCS(=O)CC1 96446536 NAKWYEPUKMLSBY-MRXNPFEDSA-N 338.448 1.771 0 40 EDAB CN(Cc1ccco1)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181668 GZCPICAFTRNAHG-IRXDYDNUSA-N 346.358 1.976 0 40 EDAB C[C@@H](c1ncc(C(C)(C)C)o1)N1CCN(CCS(C)(=O)=O)CC1 95435044 NFXNEPBUHHOZTD-ZDUSSCGKSA-N 343.493 1.695 0 40 EDAB Cn1ncc2c(O)nc(NC[C@@H]3CCCN(CC(F)(F)F)C3)nc21 585092349 QYNHDMYCJUHKBD-VIFPVBQESA-N 344.341 1.755 0 40 EDAB CNC(=O)CO[C@@H]1CO[C@]2(CCCN(C(=O)c3cccs3)C2)C1 96222292 GCAKOKMTHCMGRE-BLLLJJGKSA-N 338.429 1.274 0 40 EDAB COc1ncccc1CN1Cc2ccnn2[C@@H](C(=O)NC2CCC2)C1 247825371 FNYCXEXUKTXGSW-MRXNPFEDSA-N 341.415 1.512 0 40 EDAB Cc1cccc(CN2Cc3ccnn3[C@H](CN3CCCC3=O)C2)n1 247872022 LLALBMWEWHTURM-KRWDZBQOSA-N 325.416 1.766 0 40 EDAB COC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc3c(c2)CCO3)cc1 85559146 QGSZTNIKOMYFPL-MRXNPFEDSA-N 341.363 1.872 0 40 EDAB Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(CC(=O)N(C)C)C2)cn1 257283472 OYMKLMXSNIUEDY-AWEZNQCLSA-N 343.431 1.701 0 40 EDAB COC[C@@H](O)CNC(=O)NCCc1cc(Br)ccc1F 252495206 ONLHPNCFAVCIGW-NSHDSACASA-N 349.200 1.437 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)CCCn3cncn3)CCO2)n1 257296427 RCUWAYUAMQFNMS-CQSZACIVSA-N 330.392 1.095 0 40 EDAB COCc1ccc(C(=O)N2CCOC[C@H]2c2cc(O)nc(C)n2)cc1 257287056 POHZRZASXCVFSP-INIZCTEOSA-N 343.383 1.851 0 40 EDAB Cc1cccc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)c1 257288748 PVLHENWPJBDDOI-LJQANCHMSA-N 340.427 1.889 0 40 EDAB C[C@H](C(=O)NCc1cnn(C)n1)N1CCC(Cc2ccccc2)CC1 606442370 RPFHZUOUKPAKIT-OAHLLOKOSA-N 341.459 1.775 0 40 EDAB Cc1ccc(NC(=S)N(CC(=O)O)[C@H]2CCS(=O)(=O)C2)cc1 575423357 ZXJICYLUQKOCNU-LBPRGKRZSA-N 342.442 1.266 0 40 EDAB CNC(=O)C[C@@H]1CN(CC(=O)N(C)C2CCCCC2)CC[C@H]1OC 585275331 CQCLAMFNKKZDNI-GDBMZVCRSA-N 339.480 1.251 0 40 EDAB O=C(NC1CCCC1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2cc[nH]c2)O1 585108704 DIRVTPKUHVBUAJ-BZUAXINKSA-N 331.416 1.836 0 40 EDAB C[C@@H](OCC1CC1)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 71863725 WSYSVYWAPYXVQI-CRAIPNDOSA-N 332.444 1.679 0 40 EDAB CCOC(=O)NCCNC(=O)N1CCN(c2ccccc2F)CC1 71879968 BGVSYIPXBKKPBE-UHFFFAOYSA-N 338.383 1.403 0 40 EDAB CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 72276893 OLEKPBKCPZVWCB-UHFFFAOYSA-N 346.474 1.917 0 40 EDAB CC[C@H]1CN(CC(=O)Nc2ccnn2C(C)C)CCN1C[C@@H](C)O 72279745 NREATHHDWVZFSU-CABCVRRESA-N 337.468 1.180 0 40 EDAB CC(=O)N[C@H](CC(=O)N(CC(N)=O)C1CCCC1)c1cccs1 47236750 XABWORZDPRJDPW-CYBMUJFWSA-N 337.445 1.572 0 40 EDAB COCC(=O)N1CCN(c2ccc(N3CCCC[C@H]3C)nn2)CC1 48985548 UNHUSTKHUCPHEC-CQSZACIVSA-N 333.436 1.150 0 40 EDAB NC(=O)CN(Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCCC1 52826458 LVXUYTSVGFTBMR-UHFFFAOYSA-N 334.807 1.578 0 40 EDAB CCCN(C(=O)c1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 58955843 OZTMMYHRTDYPGE-OAHLLOKOSA-N 325.430 1.872 0 40 EDAB CCN(CC)CCN(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)NC1 70905632 NGRCTKIJQCLQDP-QGZVFWFLSA-N 331.460 1.883 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)c2ccc(O)nc2)CCO1 1615142859 CUKORYOOVWLBMZ-IBGZPJMESA-N 342.395 1.542 0 40 EDAB CN1C[C@@H](C(=O)NCc2cnn(C)c2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595867 PJSVWOZDLGBHCU-VYDXJSESSA-N 344.390 1.487 0 40 EDAB COc1cc(C2=NO[C@@H](C(=O)NCC(C)C)C2)cc(OC)c1OC 5031114 GBQNMGWRWOYNDS-OAHLLOKOSA-N 336.388 1.978 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(C)c(O)n1 13452898 QBRADNZIBMJNGZ-UHFFFAOYSA-N 348.384 1.793 0 40 EDAB CCN(CC)C(=O)CN(CC)S(=O)(=O)c1cc(F)ccc1OC 13581237 INIGPBSIXWWLBW-UHFFFAOYSA-N 346.424 1.713 0 40 EDAB CCCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C 19619090 ZSOAGXKTGXFIQW-UHFFFAOYSA-N 342.461 1.394 0 40 EDAB COC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)NC1=S 8161486 WKKFLRROERUNRW-POHAHGRESA-N 340.788 1.579 0 40 EDAB Cc1cn2nc(N[C@@H]3CCN(C(=O)c4ncoc4C)C3)ccc2n1 519441141 KZYCBIZCGAZVDN-GFCCVEGCSA-N 326.360 1.661 0 40 EDAB Cc1cc(CNS(=O)(=O)c2cc(Cl)cc(C(=O)O)c2)no1 556967561 KYHNBDBXHLKBMK-UHFFFAOYSA-N 330.749 1.813 0 40 EDAB COCCNC(=O)NC(=O)CNc1ccccc1N1CCCCC1 15357051 ZWMFRNLYADIMNI-UHFFFAOYSA-N 334.420 1.561 0 40 EDAB COc1cc(C(=O)OCCCN2CCOCC2)cc(OC)c1OC 31284210 VXOBLNCPAAJICO-UHFFFAOYSA-N 339.388 1.592 0 40 EDAB COC(=O)[C@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)C1 593464890 IYVWRVVWACDCCD-ZNMIVQPWSA-N 333.388 1.506 0 40 EDAB Cn1nc2c(c1CN1CCO[C@@H](C(=O)N3CCCC3)C1)CCCC2 1889101127 UHXWRTMQDNKQGK-QGZVFWFLSA-N 332.448 1.122 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc2nnnn2n1 8766901 JTDSRHRZCSCYSZ-UHFFFAOYSA-N 334.387 1.993 0 40 EDAB CN1CCCC[C@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O 2037985857 YSJGPWDWTBAWLZ-SFHVURJKSA-N 334.391 1.608 0 40 EDAB O=C(CCc1cncnc1)N1C[C@H]2CCN(CC3CC3)C(=O)[C@H]2C1 1565542500 IXQTUOCVZLUCJF-CVEARBPZSA-N 328.416 1.126 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)c3cc4ccccc4n3C)CC[C@@H]2C1 1565553066 IWIXRUHANYQAED-CRAIPNDOSA-N 327.428 1.971 0 40 EDAB O=C(CCc1cncnc1)N1C[C@H]2CCN(CC3CC3)C(=O)[C@@H]2C1 1565542502 IXQTUOCVZLUCJF-HZPDHXFCSA-N 328.416 1.126 0 40 EDAB COc1ccc(C(=O)OCCNC(=O)c2ccncc2)cc1OC 2679758 ACZGUSPFANGTDL-UHFFFAOYSA-N 330.340 1.686 0 40 EDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2cccs2)CC1 2055708097 HEIOXYAJLXOBCY-UHFFFAOYSA-N 348.472 1.699 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCN1CCOCC1 23182843 KMZOLMVLYMRFLG-UHFFFAOYSA-N 329.400 1.498 0 40 EDAB Cc1cc(=O)[nH]c2cc(NC(=O)CSc3nnnn3C)ccc12 49470844 SFDNXUAWWPCTNP-UHFFFAOYSA-N 330.373 1.091 0 40 EDAB CN(C)c1nc(CNC(=O)c2ccoc2)nc(N2CCCCC2)n1 575605762 FCTSAJCIBSRDDW-UHFFFAOYSA-N 330.392 1.451 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1nccnc1-c1ccoc1 575621075 UMIZVZMDMDEJHK-UHFFFAOYSA-N 334.357 1.820 0 40 EDAB Cc1nc(N2CCN(CC3(O)CCCC3)CC2)cc(-n2cccn2)n1 2298182298 CRRSXUSRNWVDRP-UHFFFAOYSA-N 342.447 1.398 0 40 EDAB COC(=O)c1ccccc1NC(=O)c1cnc2n(c1=O)CCS2 211322 PCBVSMWTMFLCIH-UHFFFAOYSA-N 331.353 1.388 0 40 EDAB CCN(CC)S(=O)(=O)c1cc2c3c(cccc3c1)C(=O)NC2=O 5553256 WECGODKZAIBJNG-UHFFFAOYSA-N 332.381 1.754 0 40 EDAB CCN1CCC(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)CC1 30028181 VVFWSFRYBTZOBE-UHFFFAOYSA-N 332.383 1.080 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H](C)c2ccccn2)c1 31140774 NBVFBZDBYXGVMX-LBPRGKRZSA-N 348.428 1.550 0 40 EDAB CCOc1ccc(Nc2ncccc2C(=O)N2CCNC(=O)C2)cc1 40472988 YZYDCIGCANGWED-UHFFFAOYSA-N 340.383 1.796 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2CCC(N3CCNC3=O)CC2)c1 51449845 WZRQBNGGVXHRQM-INIZCTEOSA-N 333.432 1.224 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)c(C(F)(F)F)n1 53293925 FWKYNNMLVMRTNH-LLVKDONJSA-N 340.305 1.935 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)Nc3c[nH]ccc3=O)CC2=O)cc1 71185380 QJWDPFILZXSLQB-CYBMUJFWSA-N 341.367 1.371 0 40 EDAB COc1ccc(CN2CCN(c3ccnc(N(C)C)n3)CC2)cc1 77187868 NKFKRFOWHMXSQO-UHFFFAOYSA-N 327.432 1.873 0 40 EDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 22903512 NRCJTHVBLKWCQN-UHFFFAOYSA-N 336.373 1.283 0 40 EDAB C[C@H](NC(=O)c1cccs1)C(=O)N(Cc1nccn1C)C1CC1 54039152 HKILOOSQRIFPCZ-NSHDSACASA-N 332.429 1.791 0 40 EDAB C[C@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)C[C@@H]1N(C)C 78896443 PCELKNWDPSFLOX-LRDDRELGSA-N 333.407 1.975 0 40 EDAB COCCNC(=O)[C@H]1CC(c2cccc(Br)c2)=NO1 4504865 LAPBPIWOCSIRMD-GFCCVEGCSA-N 327.178 1.705 0 40 EDAB Cc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)NCc1ccccc1 7673403 UMJPBQMEZXUTKC-LBPRGKRZSA-N 334.397 1.466 0 40 EDAB C[C@H](NC(=O)NC[C@@]1(N2CCOCC2)CCSC1)[C@@H]1CCCO1 106092697 RRPFDJFEDAMKPO-DZKIICNBSA-N 343.493 1.061 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3ccccc3F)C2)C1 108527451 QRTVSFMGUOOREK-UHFFFAOYSA-N 326.393 1.370 0 40 EDAB C[C@H]1CN(C[C@@H](O)Cn2nc(-c3ccccc3)ccc2=O)C[C@@H](C)O1 106830564 BUGXATROIKSUJR-HLLBOEOZSA-N 343.427 1.380 0 40 EDAB CCOc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1OCC 3229904 KYMVDWMLEZRMEH-UHFFFAOYSA-N 337.372 1.500 0 40 EDAB Cc1cnc(NC(=O)[C@H](C)Oc2ccc(-n3cnnn3)cc2)s1 27976282 PPOLTXBKTPUXKH-JTQLQIEISA-N 330.373 1.833 0 40 EDAB CCOc1ccc([C@H](C)NC(=O)Cn2cccnc2=O)cc1OCC 25869377 XLDURBPTHYYCDE-ZDUSSCGKSA-N 345.399 1.918 0 40 EDAB Cc1cc(=O)c(C(=O)OCCO)nn1-c1cccc(C(F)(F)F)c1 43871157 SICWNJAMHVYYHZ-UHFFFAOYSA-N 342.273 1.709 0 40 EDAB Cn1cc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)cn1 26082431 CUWMSDNCDSYRQT-UHFFFAOYSA-N 348.834 1.910 0 40 EDAB O=C(CCCn1cncn1)N1CCC(c2nnc3n2CCC3)CC1 57146216 JBZAPQLVECJFDB-UHFFFAOYSA-N 329.408 1.002 0 40 EDAB Cc1ccc(C)c(N2C(=O)C[C@@H](N3CCC(C(=O)O)CC3)C2=O)c1 9926975 CIOWTAGRJCZIGQ-OAHLLOKOSA-N 330.384 1.732 0 40 EDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cnn(C)c1)CC(O)=N2 71283656 QXYCZOLZWRXKED-NWDGAFQWSA-N 349.416 1.408 0 40 EDAB COc1ncccc1C(=O)OCc1nc2c(C)cccc2c(=O)[nH]1 97610320 OMAILCPTNANCDU-UHFFFAOYSA-N 325.324 1.992 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@H](c1cccc(C)c1)NC(=O)N2 35590233 YASMTEWQZBMYMY-INIZCTEOSA-N 329.400 1.872 0 40 EDAB COCCOc1ccc(CNC2=NS(=O)(=O)c3ccccc32)cn1 95356636 CLSZHWVPOOVGOR-UHFFFAOYSA-N 347.396 1.346 0 40 EDAB O=C(C[C@@H]1[C@@H]2CN(C(=O)Cc3ccccn3)C[C@@H]21)Nc1cccnc1 107253939 ITNWNXBPCRNQTD-BJWYYQGGSA-N 336.395 1.752 0 40 EDAB COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C 58282391 JSACHMUIUCFYPT-NXEZZACHSA-N 347.820 1.925 0 40 EDAB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 104196698 WDXHIPJRNGZMKX-PYTWLRIVSA-N 338.363 1.635 0 40 EDAB Cc1ccnc2nc(C(=O)OCc3nc(-c4ccsc4)no3)nn12 12784390 QBDBIKRNPKXCSL-UHFFFAOYSA-N 342.340 1.901 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)C1 9155250 ZZTZHLTWRONNBE-CHWSQXEVSA-N 342.436 1.951 0 40 EDAB COCCC(=O)N1CCC(NC(=O)c2ccc3cc[nH]c3c2)CC1 95425890 PSDSJLPQWGRRCX-UHFFFAOYSA-N 329.400 1.925 0 40 EDAB Cc1cc(NC(=O)CN(C)C(=O)C2=Cc3ccccc3OC2)no1 58363683 XGISOHIPLHKBHP-UHFFFAOYSA-N 327.340 1.856 0 40 EDAB CCOC(Cn1cc(C(=O)NCc2csc(C)n2)nn1)OCC 58379831 CJBHPHRFBHLUGT-UHFFFAOYSA-N 339.421 1.372 0 40 EDAB CN(C)c1cccc(CNC(=O)N[C@@H]2COc3ccccc3C2)n1 95438039 GWGXSKGIBUZRMN-HNNXBMFYSA-N 326.400 1.951 0 40 EDAB COc1ccc(CNC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1OC 58416829 UHAIBIQKFKWNAT-UHFFFAOYSA-N 343.339 1.772 0 40 EDAB Cc1nc(SCCN2C(=O)CCC2=O)n(C[C@H]2CCCO2)c1C 48344823 RZCSAKULHJCHAT-CYBMUJFWSA-N 337.445 1.920 0 40 EDAB O=C1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)[C@H]2CCCC[C@@H]2N1 95412481 VKEATLMFADHIQA-ZFWWWQNUSA-N 343.362 1.290 0 40 EDAB Cn1c(O)nc(=O)c2c1n1c(-c3ccc(Cl)cc3)nnc1n2C 10963208 IZOPWUMRNJNTJB-UHFFFAOYSA-N 330.735 1.341 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)CNC(=O)c2cccs2)cc1 12875054 RIVORYATYXEQAQ-UHFFFAOYSA-N 345.424 1.883 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1OC 10008762 BYENIFMHFSUVHM-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(F)c(F)c3)cnc21 11378935 GSWNVTYQCCALNA-UHFFFAOYSA-N 333.298 1.437 0 40 EDAB CCCCSc1nnc(NC(=O)CSc2n[nH]c(N)n2)s1 12860043 UGNCQXSROJNYEX-UHFFFAOYSA-N 345.479 1.861 0 40 EDAB CC(C)N1C[C@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1=O 46355437 RVKAPPRWXGDWSM-GDBMZVCRSA-N 334.391 1.983 0 40 EDAB O=C(CCc1ccccc1O)N[C@@H]1CCCN(c2ncccn2)C1 46424169 HJZNBEPWCZXNPU-OAHLLOKOSA-N 326.400 1.900 0 40 EDAB CC(C)CC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccn1C 306125095 CGWAMNLYXHBOGY-OAHLLOKOSA-N 347.459 1.809 0 40 EDAB CCOC(=O)CNC(=O)c1cc2c(=O)n3ccccc3nc2s1 2722863 BBXNHBKFWGUPQG-UHFFFAOYSA-N 331.353 1.202 0 40 EDAB Cn1nccc1CNC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 46941498 NJXIVTQOWRDHHZ-UHFFFAOYSA-N 342.399 1.930 0 40 EDAB Cc1cnccc1N1CCCN(C(=O)Nc2nc(C)n(C)n2)CC1 48436212 GZSJKKZOAZABMR-UHFFFAOYSA-N 329.408 1.571 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)COc2cccc(F)c2)CC1 13004340 VOEUUSZCNZMQHD-UHFFFAOYSA-N 344.408 1.135 0 40 EDAB CCOC(=O)c1cn(CC(=O)Nc2cc(Cl)ccc2OC)nn1 4118754 PFGDFTMHYARDPP-UHFFFAOYSA-N 338.751 1.756 0 40 EDAB CCNC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@H]1C2 306126103 DNACZGGXNRWKSQ-KGLIPLIRSA-N 343.406 1.471 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)C34CC5CC(CC(C5)C3)C4)cnc21 13988411 OBGUXZXUMNCQKU-UHFFFAOYSA-N 326.400 1.916 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccsc2)CC1 65403976 UQBSUZXDZBSRQJ-CQSZACIVSA-N 333.461 1.861 0 40 EDAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl 14093916 WKMNTMLWCPNZDG-VIFPVBQESA-N 330.793 1.672 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@@H](C(C)C)n3cncn3)CC2)cs1 65505343 OQYHSBIQDDGYBZ-OAHLLOKOSA-N 348.476 1.585 0 40 EDAB Cc1cccc(C(=O)NC2CCN(c3ncnc4[nH]cnc34)CC2)n1 65518784 UEZQGQCMJRWEMF-UHFFFAOYSA-N 337.387 1.455 0 40 EDAB CN(C)c1cc(CNC(=O)c2cn(-c3ccc(F)cc3)nn2)ccn1 65568377 TVGZYNGOHSRJDY-UHFFFAOYSA-N 340.362 1.797 0 40 EDAB C[S@@](=O)c1ccc(C(=O)NCCC(=O)N2CCCCCC2)cc1 65517856 FNWWDKQAZLFPBQ-QHCPKHFHSA-N 336.457 1.947 0 40 EDAB COCCN1C(=O)C(=O)N(CN(C)Cc2ccc(C(C)C)cc2)C1=O 14165594 XITZJVIUQUQAHV-UHFFFAOYSA-N 347.415 1.637 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCN(Cc3nccn3C)CC2)o1 65609586 WFDGFYUKZGSSEN-UHFFFAOYSA-N 345.447 1.098 0 40 EDAB CCCCn1c(N)c(N(CC)C(=O)c2cccc(C)c2)c(=O)[nH]c1=O 6509456 VFBVCFNCVJFMFA-UHFFFAOYSA-N 344.415 1.894 0 40 EDAB Cn1nc(C(=O)NCc2nc3ccccc3n2C)c2ccccc2c1=O 6652205 TVWDHUXQCICQLG-UHFFFAOYSA-N 347.378 1.750 0 40 EDAB COc1ccccc1NC(=O)C(=O)NCc1ccc(C)nc1OC 66221636 QVTONAYKTQDSIG-UHFFFAOYSA-N 329.356 1.662 0 40 EDAB O=C(CCc1ccccn1)N1CCN(C(=O)Cc2ccccn2)CC1 71799488 VGISKJKRJFSHNE-UHFFFAOYSA-N 338.411 1.323 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cn1 71796875 YMHMFKISPFBNSY-CJNGLKHVSA-N 330.432 1.875 0 40 EDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1OC 9577049 FYTPIBKFLBJMLO-STQMWFEESA-N 340.470 1.786 0 40 EDAB Cn1ncc(C(=O)NCc2cccc3c2OCCO3)c1-n1cccc1 71889218 PERZUAQOQFPCNC-UHFFFAOYSA-N 338.367 1.912 0 40 EDAB CCN1CCN(C(=O)[C@@H](C)Oc2ccc(S(C)(=O)=O)cc2)CC1 71848489 GJTQEBSHGZQDDB-CYBMUJFWSA-N 340.445 1.022 0 40 EDAB O=C(OCC(=O)N1CCN(c2ncccn2)CC1)c1ccsc1 7546963 CLLQNSIBTWKLHU-UHFFFAOYSA-N 332.385 1.044 0 40 EDAB COc1ccc(OC)c(CN(CCO)C(=O)c2ccc(OC)nc2)c1 71898112 DAKCPSDKBLSNKC-UHFFFAOYSA-N 346.383 1.742 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(Cc3cccs3)CC2)cn1 71841285 HWIFGFKORMJUHK-CVEARBPZSA-N 330.457 1.930 0 40 EDAB Cc1ccc2[nH]c3c(=O)n(CCCN4CCN(C)CC4)cnc3c2c1 19925767 CULNDGNPADSIQN-UHFFFAOYSA-N 339.443 1.824 0 40 EDAB CC(C)OCCS(=O)(=O)N1CCN(c2ncccc2F)CC1 84488449 GQPACAMPMUXLQG-UHFFFAOYSA-N 331.413 1.098 0 40 EDAB Cc1ccc([C@H](C)NC(=O)Nc2ccn(CCN3CCOCC3)n2)o1 71912173 VMLXSCZFJRIZGK-AWEZNQCLSA-N 347.419 1.999 0 40 EDAB C[C@@](O)(CNC(=O)CC1(N2CCOCC2)CCCC1)c1ccco1 81835197 MGFTVQCMPXFMAP-QGZVFWFLSA-N 336.432 1.638 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CSCN1C(=O)C1CCC1 69391378 URCPZWSBNBTGGT-CYBMUJFWSA-N 348.424 1.733 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)c1ccc(N2CCOCC2)c(F)c1 69488960 PEVBHHZBSSHTJW-UHFFFAOYSA-N 337.395 1.259 0 40 EDAB CCc1noc([C@@H](C)N2CCN(Cc3noc(C4CC4)n3)CC2)n1 69454674 TZCSJJVRUCFGQE-LLVKDONJSA-N 332.408 1.771 0 40 EDAB COC(=O)CN1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1 69530094 MAKCVZDUVJGWQD-UHFFFAOYSA-N 343.383 1.827 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CCN2CCCC2)cc1 69598507 JHXUVBNSFWZAHA-ZDUSSCGKSA-N 339.461 1.199 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(N2CCN(C)CC2)cn1 69562129 VYFORBHBSCJHGO-HOCLYGCPSA-N 348.447 1.356 0 40 EDAB CN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 8516461 GMOAZAVANBMZKJ-UHFFFAOYSA-N 344.742 1.725 0 40 EDAB CCC(=O)N1CC[C@H](NC(=O)NCc2ccc(C)cc2N(C)C)C1 95416850 JFVZIUUMXBKXJK-HNNXBMFYSA-N 332.448 1.871 0 40 EDAB COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC(C)(C)C 72233750 UCDILZVSBMKGTE-WDEREUQCSA-N 329.393 1.984 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCCN(c2cnccn2)C1 72278619 OXUQOJZDSBSYMD-UONOGXRCSA-N 326.404 1.021 0 40 EDAB Cn1cnn(-c2ccc(NC(=O)NCCc3ccccn3)cc2)c1=O 92837273 BEEODGMJOFPAFA-UHFFFAOYSA-N 338.371 1.330 0 40 EDAB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)[C@@H]1CCOC1 72288928 DPDNTSNOACXXKG-XQQFMLRXSA-N 342.436 1.900 0 40 EDAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCC[C@H](c2ccn[nH]2)C1 72282832 IXXZBXZAQWWXHB-GJZGRUSLSA-N 340.431 1.822 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)c3c(C)nn4cccnc34)C2)no1 72231782 HGLHXPMQZWHJTG-LBPRGKRZSA-N 326.360 1.749 0 40 EDAB CC(C)c1ccc(-n2cnnc2SCC(=O)NC[C@H](C)O)cc1 97178005 JRCQHYJOCOHVLK-LBPRGKRZSA-N 334.445 1.980 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)N[C@H](CO)c1ccccc1 97162768 INAJZCPSQRNIHV-OAHLLOKOSA-N 334.322 1.544 0 40 EDAB Cc1cc(F)c2[nH]c(=O)cc(C(=O)NCC[C@@H](C)[S@](C)=O)c2c1 95995278 GEJHLRJDUKKLRY-DJNLSKAYSA-N 338.404 1.863 0 40 EDAB COC[C@](C)(NC(=O)CCc1ncc(-c2ccc(C)cc2)o1)C(N)=O 75137478 UQFADHQMPSUPFM-SFHVURJKSA-N 345.399 1.589 0 40 EDAB C[C@H]1CN(C(=O)Cc2nc3ncccn3n2)c2ccc(F)cc2O1 75147625 JRFMHKDHGXNFJX-JTQLQIEISA-N 327.319 1.620 0 40 EDAB O=C(O)CN(C[C@H]1CCCO1)C(=O)c1ccn(-c2ccc(F)cc2)n1 89793895 XBMDOCDELINENI-CQSZACIVSA-N 347.346 1.717 0 40 EDAB C[C@@H]1CN(C(=O)C(C)(C)n2cc(Cl)cn2)C[C@H]1N1CCOCC1 76056815 ZSFZXUDTNIRSDL-TZMCWYRMSA-N 340.855 1.451 0 40 EDAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCN(CCO)CC1 22030785 RCJASHRNEBEFTI-IRXDYDNUSA-N 336.476 1.550 0 40 EDAB CC(C)n1cc(CNC(=O)NC[C@H]2Cc3ccccc32)c(O)nc1=O 1548453274 ZRIGEBQGGLGKPS-CYBMUJFWSA-N 342.399 1.669 0 40 EDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@H]1CN(Cc3ccco3)C[C@H]1C2 306139013 SNDKCIVLSRPLSL-ZFWWWQNUSA-N 342.399 1.027 0 40 EDAB O=C(NCCN1CCOCC1)c1noc2c1CCc1ccccc1-2 20137765 XVKSKSGKSVFCLF-UHFFFAOYSA-N 327.384 1.502 0 40 EDAB aggregator O=C(CNC(=O)c1ccco1)NCc1cccc(NC(=O)C2CC2)c1 21066568 PJZXGFUHHKGYRL-UHFFFAOYSA-N 341.367 1.674 0 40 EDAB O=C(NCc1ccco1)c1cccnc1S(=O)(=O)C(F)(F)F 64859646 CTXPGYWQSIDBOQ-UHFFFAOYSA-N 334.275 1.898 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 306123975 BCARQBMMIADORU-BNOWGMLFSA-N 327.446 1.085 0 40 EDAB O=C(NS(=O)(=O)c1cccc2nsnc12)[C@@H]1CC[C@H]2C[C@@H]2C1 408498762 KWSKVWJMBCIRRM-IVZWLZJFSA-N 337.426 1.932 0 40 EDAB CC(=O)Nc1cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)ccc1F 521394452 JHCAJGTYUBHTQO-BMIGLBTASA-N 343.424 1.497 0 40 EDAB CCNC(=O)NC(=O)CNc1cc2c(cc1SC)OCCO2 69703726 MTHNOBXARWUUDH-UHFFFAOYSA-N 325.390 1.437 0 40 EDAB COc1ccccc1COC[C@H](O)CN1CCc2cncnc2C1 69779848 MAZQZARHVGVNSS-MRXNPFEDSA-N 329.400 1.421 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2ccccn2)[C@H]1c1cccc(F)c1 72241742 RJQQVLYCMUDKFG-SJORKVTESA-N 343.358 1.435 0 40 EDAB O=C(Nc1ccc(F)c(Cl)c1)C1CN(C(=O)c2cnccn2)C1 70808751 HZOVCSLAYMIGIJ-UHFFFAOYSA-N 334.738 1.980 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)o1 69770417 LETACQOACKGWQZ-UHFFFAOYSA-N 343.387 1.056 0 40 EDAB NC[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218629382 MOKXKSTYTPKBHM-YQQAZPJKSA-N 349.383 1.795 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)NCCCn2ccnc2)ccc1F 69716774 LGDUMOHSQDWFMH-UHFFFAOYSA-N 344.354 1.518 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 75940633 YYUGDNSYPNILLH-ZDUSSCGKSA-N 331.401 1.822 0 40 EDAB CC(C)N1CCN(CCCn2ncc(Cl)c(Cl)c2=O)CC1 188212148 UKPQFXQFGILBIW-UHFFFAOYSA-N 333.263 1.966 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H](Cn2cncn2)C1 69869708 KOQZTBFWGLDIBW-CVEARBPZSA-N 339.443 1.968 0 40 EDAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccno1 85467322 YVTBUTVCUFBTQS-AWEZNQCLSA-N 331.347 1.777 0 40 EDAB CC(=O)N1CCN(C(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)CC1 226749439 FERQVTDZILUPEJ-KRWDZBQOSA-N 333.363 1.400 0 40 EDAB CCN1CCN(Cc2ccccc2CNC(=O)c2cc[nH]n2)CC1 49734255 GSBJDLZZKFOSKR-UHFFFAOYSA-N 327.432 1.477 0 40 EDAB Cc1n[nH]c(C)c1C(=O)NCc1nc(-c2cc(C3CC3)on2)no1 238826818 DYJOEIXKQMGNLF-UHFFFAOYSA-N 328.332 1.872 0 40 EDAB COc1cc(N2C[C@@H]3COC[C@]3(COc3ccccn3)C2)ncn1 96109043 GAVBTPGSRSXWAS-DYVFJYSZSA-N 328.372 1.412 0 40 EDAB Cc1noc(C)c1CN1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 96063383 IJMDSTJWIGGGFT-SJLPKXTDSA-N 346.431 1.938 0 40 EDAB Cc1noc([C@H]2C[C@H]3CN(C(=O)Cc4ccccn4)CC[C@@H]3O2)n1 96045974 UUMBQBKATLMNJR-AEGPPILISA-N 328.372 1.694 0 40 EDAB CCN(C)C[C@H]1CCN(C(=O)NCc2cccc(-n3cncn3)c2)C1 95407641 GZZZAPRIKRKGNI-MRXNPFEDSA-N 342.447 1.751 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc(Cl)cc12 96410538 YHJWPYQVYJTXOF-AWEZNQCLSA-N 347.802 1.874 0 40 EDAB Cn1ncc2c1CN(C(=O)c1ccnnc1)C[C@H]2COCC1CC1 96044650 PKIPSFPNGHUHHK-AWEZNQCLSA-N 327.388 1.376 0 40 EDAB CN(C)CCn1nnnc1SCc1ccn(-c2ccc(F)cc2)n1 96424867 FPGLGIAVFFJVMZ-UHFFFAOYSA-N 347.423 1.852 0 40 EDAB COC1([C@H](C)NC(=O)N2CCCN(C(=O)C(C)C)CC2)CCC1 580415518 PXLADHSEURYZAF-AWEZNQCLSA-N 325.453 1.844 0 40 EDAB Cc1nc2ccccc2n(CCCNC(=O)[C@@H]2CCO[C@@H]2C)c1=O 96495235 YLQURPZTZOYGGH-ZIAGYGMSSA-N 329.400 1.636 0 40 EDAB CN1CCN(C[C@H]2OC[C@@H]3CCN(Cc4ccc(F)cc4)C[C@H]23)CC1 96185435 IMBCDLIQBDFBAY-YSIASYRMSA-N 347.478 1.910 0 40 EDAB CS(=O)(=O)NCc1cn2c(n1)CN(Cc1cccs1)CC2 96197395 YPLHKECLCPFIFG-UHFFFAOYSA-N 326.447 1.010 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2O1 96100667 XKHQGDTWPLQQSL-KYJSFNMBSA-N 340.427 1.439 0 40 EDAB O=S(=O)(CCC(F)(F)F)NCCn1ccc(-c2cnccn2)n1 238866386 LWEFJQDSKLSLIQ-UHFFFAOYSA-N 349.338 1.212 0 40 EDAB CCCn1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)cn1 583620978 YSFZYHLEJHHESV-CZUORRHYSA-N 344.419 1.119 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2cncnc2)cc1 583623232 YUNWWAVXTQAKIN-FUHWJXTLSA-N 327.384 1.998 0 40 EDAB Cc1ccsc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2CCN1CCCC1 96183941 IIAZVGQMLJCTNK-CABCVRRESA-N 347.484 1.968 0 40 EDAB C[C@@H](NCCN1CCCC1=O)c1ccc(S(C)(=O)=O)c(F)c1 96491982 LAXFQMKKNACBAA-LLVKDONJSA-N 328.409 1.502 0 40 EDAB COCCn1cc2c(n1)[C@@H](CNC(=O)c1c(C)noc1C)OCC2 96044320 RVOWIWIBEDQLBI-CYBMUJFWSA-N 334.376 1.178 0 40 EDAB CS(=O)(=O)NCC[C@H]1CN(Cc2cccs2)Cc2cncn21 247538624 RJYIQDNLXFVRRV-LBPRGKRZSA-N 340.474 1.441 0 40 EDAB C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(=O)O2)CCCN1C(=O)OC(C)(C)C 585128270 XMIUKQCLUKKLLR-JHJVBQTASA-N 340.420 1.844 0 40 EDAB CCc1nc(C)cc(N2CCN(C[C@H]3CCCS3(=O)=O)CC2)n1 585132807 WTIVTVWARPOGJK-CQSZACIVSA-N 338.477 1.047 0 40 EDAB CC(C)(C)OC(=O)[C@H]1CCCCN1CC1CN(S(C)(=O)=O)C1 585116860 KMMDIGIHIASSLJ-CYBMUJFWSA-N 332.466 1.074 0 40 EDAB Cc1cccnc1C(=O)N(C)C[C@]1(O)CCCN(c2ncccn2)C1 257231353 GGHJKVXMYHPQKD-GOSISDBHSA-N 341.415 1.284 0 40 EDAB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)C1 250664885 HLHAWHLEKDKHAY-WFASDCNBSA-N 348.374 1.733 0 40 EDAB CC(C)S(=O)(=O)N1CC[C@](O)(CN(C)Cc2ccc(F)cc2)C1 257268723 MMXBAFFBOCBVRH-INIZCTEOSA-N 344.452 1.433 0 40 EDAB CN(C)C[C@@]1(O)CCCN(C(=O)c2[nH]nc3c2CCCCC3)CC1 257282620 OUNNNFWASDNNFJ-GOSISDBHSA-N 334.464 1.597 0 40 EDAB O=C(c1cnc(C2CC2)nc1)N1CCOC[C@@H](Cc2ccncn2)C1 257344145 ZVYHXSCEQAPOQO-ZDUSSCGKSA-N 339.399 1.475 0 40 EDAB CC(C)c1ncc(C(=O)NC[C@]2(O)CCN(c3ccccn3)C2)cn1 257281458 OPHCKSBLKMWTEV-GOSISDBHSA-N 341.415 1.366 0 40 EDAB COc1ccc2nc(C)c(C(=O)N3CC(OCC(F)F)C3)n2n1 1615044228 MJUDXZATANHIEO-UHFFFAOYSA-N 326.303 1.152 0 40 EDAB COC[C@]1(S(=O)(=O)NC[C@H](c2ccco2)N2CCCC2)C[C@@H]1C 1615549955 OQQDUTOIKYKJNX-SQWLQELKSA-N 342.461 1.761 0 40 EDAB COC(=O)c1cc(NC(=O)NCc2cn3cc(C)ccc3n2)n(C)n1 1616033908 DTQUHNHNJRIXKW-UHFFFAOYSA-N 342.359 1.485 0 40 EDAB COC(=O)c1ccc(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc1 96121972 PVFDLFJTMMRPKN-UHFFFAOYSA-N 339.413 1.368 0 40 EDAB Cc1cc(OC2CCN(C(=O)c3ccc(O)nn3)CC2)nc(C)n1 390826071 AUGXUWQBZBJBSA-UHFFFAOYSA-N 329.360 1.273 0 40 EDAB COCCn1nccc1C(=O)N1CCC[C@]2(CCN2CC(C)C)C1 585102266 VVDRERRREWDBCS-SFHVURJKSA-N 334.464 1.866 0 40 EDAB COCC[C@H]1CCOC12CCN(S(=O)(=O)c1cn(C)cn1)CC2 585104758 MARCFZUAAWFVED-ZDUSSCGKSA-N 343.449 1.016 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(CC2(O)CCOCC2)CCO1 585277179 KSIYOTWFQFLNKW-IBGZPJMESA-N 335.444 1.142 0 40 EDAB COc1cc(CNC(=O)NCc2ccc3c(c2)OCCO3)ccn1 45113144 AHCSKZPGMFERCZ-UHFFFAOYSA-N 329.356 1.861 0 40 EDAB O=c1n(CN2CCN(c3ccccc3)CC2)nnn1-c1cccs1 52569213 MIXQEIHMDWOJLN-UHFFFAOYSA-N 342.428 1.270 0 40 EDAB COC(=O)CCN(CC(C)C)C(=O)c1ccc(N2CCNC2=O)cc1 55722169 FFSSTLSRQDRGTR-UHFFFAOYSA-N 347.415 1.878 0 40 EDAB C[C@@H](NC(=O)N1CCNC(=O)CC1)c1cccc(-n2cccn2)c1 74939537 IQYQFAPLTQFZHW-CYBMUJFWSA-N 327.388 1.465 0 40 EDAB Cc1cc(C)c(CNC(=O)N[C@@H](C)c2c(C)nn(C)c2C)c(=O)[nH]1 75124727 XREIJNSJUVHNOI-NSHDSACASA-N 331.420 1.902 0 40 EDAB CCN(CCNC(=O)NC1CCN(C)CC1)C(=O)OC(C)(C)C 75128089 WHJDAZUHRIKGBU-UHFFFAOYSA-N 328.457 1.637 0 40 EDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N(C)CCn2cccn2)o1 78880875 RSTVNZQKDBZZQC-CQSZACIVSA-N 338.433 1.798 0 40 EDAB C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCc2cccc(N(C)C)c2)CC1=O 78922318 ITPHWHPZEOIDLP-XPKDYRNWSA-N 330.432 1.561 0 40 EDAB O=C(COc1ccc(F)cc1F)N1CC[C@@](O)(C(F)(F)F)C1 77990840 KJPFUFJJYUIWJU-LBPRGKRZSA-N 325.233 1.869 0 40 EDAB O=C1CC[C@@H](C(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccn2)C3)CN1 585401594 MZNHPIXUFDVQJC-RDBSUJKOSA-N 329.400 1.509 0 40 EDAB COC1CCN(C(=O)[C@@H]2CN(C)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772595500 BSIRYMGVQNILGZ-RYRKJORJSA-N 330.428 1.935 0 40 EDAB CCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(OC)cc1 12233841 YRSSDHGVKQNBLV-UHFFFAOYSA-N 343.387 1.329 0 40 EDAB CC[C@@H](C(=O)NCCCOC)N(c1ccccc1)S(C)(=O)=O 13710993 RNRKVDIDGDQDLQ-AWEZNQCLSA-N 328.434 1.384 0 40 EDAB C[C@H]1CCCCN1CC(=O)Nc1cnn(CC(=O)N2CCCC2)c1 19746108 OLJCUVCZFOMNLS-AWEZNQCLSA-N 333.436 1.318 0 40 EDAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(Cl)cc(Cl)c1N 5033138 YNVGQOOOBUEMOB-YFKPBYRVSA-N 334.159 1.577 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)CC5CC5)C[C@H]4C3)n1)CCC2 1888857078 HJIYXYNBTLVWLK-GJZGRUSLSA-N 326.444 1.968 0 40 EDAB CSc1nc(C2CCC2)cc(N2CCN(S(C)(=O)=O)CC2)n1 1888866787 QKBSNYZCNAGOOK-UHFFFAOYSA-N 342.490 1.548 0 40 EDAB COC(=O)CC12C3[C@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 239562902 KVZLCQLDCJROEQ-IAVSWHDZSA-N 327.174 1.178 0 40 EDAB CC(C)N1C[C@]2(CCN(C(=O)c3ccccc3F)C2)COCC1=O 2037984632 HZWAWJZYBRLISO-GOSISDBHSA-N 334.391 1.925 0 40 EDAB COCCN[C@H]1CSC2(C1)CN(C(=O)c1ccc(OC)nc1)C2 2056223931 IANMPIJQFMOVPK-CYBMUJFWSA-N 337.445 1.026 0 40 EDAB CCC(=O)NCCn1ncc2c(=O)n(Cc3ccccc3C)cnc21 12072065 KJURJSIBOVFFKA-UHFFFAOYSA-N 339.399 1.476 0 40 EDAB O=C(NC1CCC1)c1ncn2c1CC[C@H](C(=O)NC1CCCC1)C2 2055714600 LKSWUKFCGXZTSR-LBPRGKRZSA-N 330.432 1.787 0 40 EDAB Cc1cc(N2C[C@@H]3CN(c4ncccc4F)C[C@@H]3C2)n2ncnc2n1 2086865393 TXRUULGRWFHLOA-BETUJISGSA-N 339.378 1.539 0 40 EDAB CN(CC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)c1cnccn1 31271510 LPAGDNKOGXNSTF-IBGZPJMESA-N 340.427 1.885 0 40 EDAB C[C@@H]1CCCCN1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O 51134881 IMFUKOXZAJDZLZ-DOMZBBRYSA-N 337.445 1.018 0 40 EDAB CN(Cc1ccc(Br)o1)S(=O)(=O)c1cnn(C)c1 40528110 AVSIFVIFQZIOKJ-UHFFFAOYSA-N 334.195 1.596 0 40 EDAB O=C(Nc1nccs1)C1CCN(CC(=O)N2CCCCC2)CC1 40554271 ODYUGIDEQBFJNO-UHFFFAOYSA-N 336.461 1.806 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)on1 32775132 ZUOGSJJKWGAVRE-KRWDZBQOSA-N 343.383 1.467 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)NC(=O)Nc2ccccc2)cn1 32873801 CELSETNJRWODDZ-LBPRGKRZSA-N 328.372 1.917 0 40 EDAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@H](O)COc1ccc2c(c1)OCO2 103272484 RFRGCKOMWAWBIN-FPMFFAJLSA-N 347.367 1.330 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)NCCCn2cncn2)CC1=O 41862462 SWKCFGFHBRQOQO-OAHLLOKOSA-N 341.415 1.400 0 40 EDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)NCCc2nccn2C)o1 78880229 PASIIPTYGAOIBV-ZDUSSCGKSA-N 338.433 1.536 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cnc3sccc3c2=O)C1 23064666 AFERQKRMTODDGM-LLVKDONJSA-N 349.412 1.260 0 40 EDAB O=C(NC[C@H]1CCCN(c2ncnc3[nH]cnc23)C1)c1ccccc1 79014914 BWLMSQCRLJIDLX-CYBMUJFWSA-N 336.399 1.999 0 40 EDAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)CCNS(C)(=O)=O)C2CC2)o1 42721725 SNOLOYVVAYCQPQ-FZMZJTMJSA-N 340.445 1.833 0 40 EDAB CC(C)c1nn(C)cc1CNCc1cccnc1N1CCN(C)CC1 71834555 KYGMIWJJVBYBFM-UHFFFAOYSA-N 342.491 1.980 0 40 EDAB O=C(NS(=O)(=O)c1ccccc1)c1cncc(Br)c1 6241512 ZMLVLVFCAIYATF-UHFFFAOYSA-N 341.186 1.963 0 40 EDAB Cn1nnc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)n1 6452751 IBBKCRKQXGVKBW-UHFFFAOYSA-N 334.449 1.630 0 40 EDAB COCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 24335395 OEFJBEVCASTINV-UHFFFAOYSA-N 326.296 1.112 0 40 EDAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCN(S(C)(=O)=O)CC1 24776607 VJSIDEVRJSISOD-LBPRGKRZSA-N 344.408 1.087 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 24724144 KJVIDHONESTMMW-AWEZNQCLSA-N 346.383 1.658 0 40 EDAB COc1cc2c(cc1OC)[C@@H]1Cc3nc(N)ncc3C(=O)N1CC2 1384270 PJKYNFVMJFLWCO-ZDUSSCGKSA-N 326.356 1.372 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCC[C@H]1c1ccccn1 55516143 MMRQGGIHOIZCIP-AWEZNQCLSA-N 342.399 1.610 0 40 EDAB O=S(=O)(NCCOc1ccccc1)c1ccc2c(c1)OCCO2 8735406 FVECEPFYVYIZCV-UHFFFAOYSA-N 335.381 1.815 0 40 EDAB Cn1ncc(C(=O)NCCc2cccc(C(=O)O)c2)c1-n1cccc1 107928931 OBEJVEHKWFTSCC-UHFFFAOYSA-N 338.367 1.882 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3Oc2ncccc2F)no1 106951763 VSBBRSQCWSNXSK-KKUMJFAQSA-N 347.346 1.968 0 40 EDAB COc1ccccc1N(CCCC(=O)NC1CC1)S(C)(=O)=O 113968784 NKWSABHCMFDHNZ-UHFFFAOYSA-N 326.418 1.520 0 40 EDAB O=C(c1ccc(Cn2cncn2)cc1)N1CCC[C@@H]1Cn1cccn1 71866349 RJMPHFYNICYSRB-QGZVFWFLSA-N 336.399 1.828 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 71841478 DJEWVHJCCPDNTO-UHOFOFEASA-N 344.390 1.123 0 40 EDAB CCOC(=O)[C@@H](NC(=O)c1[nH]c(CC)c(C(=O)OC)c1C)C1CC1 71893588 FOZUNAFEDBLEIJ-AWEZNQCLSA-N 336.388 1.744 0 40 EDAB O=C(CN1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]21)Nc1ccccc1 35678451 LFJFUGNXVQEWQE-GWTOYCKXSA-N 339.326 1.390 0 40 EDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3cccnc3)CC2)C1 108527975 URFOBTOMRFCLKW-OAHLLOKOSA-N 339.461 1.144 0 40 EDAB NC(=O)CC[C@@H]1CCCN(C(=O)c2cc(Br)c[nH]2)C1 58299369 ASPLRGPDXKPRQP-VIFPVBQESA-N 328.210 1.895 0 40 EDAB COc1cc(OC)cc(C(=O)Nc2cccnc2-n2cncn2)c1 58341313 ATDDNODCEFVCNZ-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1 28200500 DNBHJPXJPRVFDZ-UHFFFAOYSA-N 333.413 1.239 0 40 EDAB COc1cc(F)c(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)cc1OC 28326111 VYHAHUQRYZMLEM-GXSJLCMTSA-N 333.381 1.689 0 40 EDAB O=S(=O)(N[C@H]1CCN2CCCC[C@H]12)c1ccc2c(c1)OCCO2 36389854 DSNKIZRSCCQRHL-UONOGXRCSA-N 338.429 1.363 0 40 EDAB COCCNC(=O)NC(=O)CSc1nc2ccccc2s1 10964577 LJHNQNRFGLCLDZ-UHFFFAOYSA-N 325.415 1.861 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CCN(c2cnccn2)CC1 11086807 WBEGWFVDVSWKDR-UHFFFAOYSA-N 326.400 1.685 0 40 EDAB CN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccccc1 11193006 YUITXQZSFMCLFF-INIZCTEOSA-N 325.368 1.402 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)C1 45824279 XOHZQCMXBYQSAF-DAYGRLMNSA-N 348.443 1.688 0 40 EDAB COc1ccnc(N2CCCN([C@@H](C)C(=O)NC(C)(C)C)CC2)n1 60340032 RONDSOOAIZPMNO-ZDUSSCGKSA-N 335.452 1.301 0 40 EDAB O=S(=O)(NN/C=C1/C(O)=NN=C1C(F)(F)F)c1ccccc1 12960417 IBMUIDXUMNVLNA-SOFGYWHQSA-N 334.279 1.242 0 40 EDAB Cc1cc(C)c2c(=O)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)oc2c1 20867817 UQFKFSPDXDPQHT-LLVKDONJSA-N 335.381 1.327 0 40 EDAB Cc1cccc(CNCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 48783333 PERYKHIGPJLVSX-GASCZTMLSA-N 326.462 1.524 0 40 EDAB C[C@@H](Sc1nc(Cc2cccs2)n[nH]1)C(=O)N1CCNC1=O 13001735 LPDJRQXIFTZPLV-MRVPVSSYSA-N 337.430 1.489 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2F)cc1 20768469 IVUBOJGPRMABII-UHFFFAOYSA-N 344.314 1.681 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 70901640 NRKBDLFKBBODGS-XJKCOSOUSA-N 335.448 1.934 0 40 EDAB Nc1cc(=O)[nH]c(SCC(=O)N[C@H]2CCCc3ccccc32)n1 13637978 DBNIPCZLXYAFGW-LBPRGKRZSA-N 330.413 1.638 0 40 EDAB CC[C@H](O)CCNS(=O)(=O)c1nc(C)c(Br)s1 93019659 CPIBFTPGFGPLSQ-ZETCQYMHSA-N 343.268 1.653 0 40 EDAB Cn1ncc2c(=O)[nH]c(CN3CCO[C@H](c4ccccc4)C3)nc21 65412947 VAZIADWIFPCYRL-AWEZNQCLSA-N 325.372 1.230 0 40 EDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2ccc(F)cc2)CC1 14086569 PNYHXGUZFWPSPY-IRXDYDNUSA-N 343.402 1.856 0 40 EDAB O=C(Nc1ccnn1C[C@H]1CCOC1)[C@@H]1COc2ccccc2O1 65554332 ANNZSQXBOUVLPF-DOMZBBRYSA-N 329.356 1.698 0 40 EDAB CNc1snc(C)c1C(=O)N1CCN(Cc2cccnc2)CC1 65563386 LYIXZFLMBCDENM-UHFFFAOYSA-N 331.445 1.846 0 40 EDAB COc1cccc(CO[C@H](C)C(=O)N[C@H]2CCc3nnc(C)n3C2)c1 65589534 XLADYYNEDANQKU-DOMZBBRYSA-N 344.415 1.631 0 40 EDAB O=C(OCC(=O)N1CCNC1=O)c1cccnc1SC(F)F 14137723 LTLTTYITONGCTM-UHFFFAOYSA-N 331.300 1.105 0 40 EDAB COc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1OC 14249826 ASBJPCGSPJGQTG-UHFFFAOYSA-N 325.390 1.258 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc(CC(N)=O)cs1 14369729 WHTHKHXCTAZSFL-SDBXPKJASA-N 333.369 1.338 0 40 EDAB COc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1OC 6510655 MTBREQVNDVAZOO-UHFFFAOYSA-N 345.403 1.806 0 40 EDAB CCOc1nc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)co1 96012463 HVEJRTCBWGRIRJ-UHFFFAOYSA-N 330.344 1.067 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6649371 VWXXGUSALXCMEQ-VXGBXAGGSA-N 343.383 1.869 0 40 EDAB COC(CNS(=O)(=O)Cc1ccc(Br)cc1)OC 71415927 HGFMYCWEUFZTBV-UHFFFAOYSA-N 338.223 1.487 0 40 EDAB CN(C)S(=O)(=O)N(CC(=O)NC(C)(C)C)c1ccc(F)cc1 20244996 HTHBUQFWULKULH-UHFFFAOYSA-N 331.413 1.353 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C)c1C 7131259 AWVYNHDLQRLCMY-LLVKDONJSA-N 337.376 1.614 0 40 EDAB Cc1ccc(C)c(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 7416521 WHBQFYSNDNFFMJ-UHFFFAOYSA-N 332.791 1.752 0 40 EDAB CC(C)c1nnc(CN2CCN(C(=O)c3ccccc3O)CC2)o1 80930482 BIYRNFXVHJJKHZ-UHFFFAOYSA-N 330.388 1.857 0 40 EDAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 8186560 JWGHRNHPLMTHTO-GHMZBOCLSA-N 342.417 1.452 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(N3CCCC3)nn2)c1 70036724 GNSNQCJPZYDONX-OAHLLOKOSA-N 340.431 1.887 0 40 EDAB CCN([C@@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)N1CCCC1 70019197 IJRYKYCJAGRSBD-OAHLLOKOSA-N 337.445 1.454 0 40 EDAB COCCNS(=O)(=O)c1cccc(I)c1 83911652 FRIBZZTZBMYTPY-UHFFFAOYSA-N 341.170 1.216 0 40 EDAB CC(=O)N1CCN(CCNC(=O)C[C@H](C)c2ccccc2F)CC1 69457208 JCATVJSMMVYWRU-AWEZNQCLSA-N 335.423 1.600 0 40 EDAB Cc1ccccc1CCC(=O)N1CCN(C(=O)N2CCOCC2)CC1 69455344 BZDCQQCWARCAAL-UHFFFAOYSA-N 345.443 1.524 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1cn(C)nc1-c1cccnc1)CC2 69652318 CBDDUQJBCDAWSW-OAHLLOKOSA-N 337.431 1.741 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@@H](O)c1cccc(F)c1 69615615 MGSLGZPQGJXKNG-ZWKOTPCHSA-N 342.370 1.953 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CCO1 69657654 AXLADLIKVSDPKT-RYUDHWBXSA-N 330.306 1.435 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]3Cn3cccn3)nc2n1 71866270 OCSKXKITEHPIRY-CYBMUJFWSA-N 325.376 1.242 0 40 EDAB Cc1cnn(CC(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)c1 71839625 BKJQJXHAODEBSE-UHFFFAOYSA-N 332.408 1.042 0 40 EDAB Cn1cc(CC(=O)N2CCN(CC(C)(C)O)CC2)c2ccccc21 69777939 NUWJCPNRHTZMRI-UHFFFAOYSA-N 329.444 1.636 0 40 EDAB COCCN1C[C@H](C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)CC1=O 71827938 AANBIWYMOKMHTJ-DJIMGWMZSA-N 346.427 1.470 0 40 EDAB c1cn2cnnc2c(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)n1 72289799 JHMRDZRZCUERLQ-CYBMUJFWSA-N 338.419 1.826 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CN(C)c1ccc(Cl)cn1)C2 72279174 XGTQXAAMGYZJKF-CYBMUJFWSA-N 333.823 1.807 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccc(C(N)=O)cn2)n1 72279972 VRXBYGUFMGLJDR-OAHLLOKOSA-N 341.415 1.689 0 40 EDAB CC[C@H](C)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 72297797 TYGJMAWPRHFPNF-HNNXBMFYSA-N 339.480 1.110 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(c3cnccn3)C2)no1 84280759 VVDLXGKWJVQZPA-KGLIPLIRSA-N 342.403 1.748 0 40 EDAB Cc1ccc(CN2C[C@H](C(=O)Nc3c[nH]c(=O)cc3C)CC2=O)cc1 72312116 KMCARYWDMISHNF-OAHLLOKOSA-N 339.395 1.979 0 40 EDAB NC(=O)[C@@H]1CCCN(c2ccc(NC(=O)Nc3nccs3)cn2)C1 72305787 SIPGNAGKTDBWQG-SNVBAGLBSA-N 346.416 1.884 0 40 EDAB Cc1nncn1-c1cccc(NC(=O)[C@H]2CCCN2C(=O)C2CC2)c1 97230828 NVWGMDUVJIGTFT-MRXNPFEDSA-N 339.399 1.915 0 40 EDAB O=C1CC[C@@H](C(=O)Nc2cnn(-c3ccccc3Br)c2)N1 95440446 YPFYPIYURGWYQJ-NSHDSACASA-N 349.188 1.852 0 40 EDAB COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(F)c2)CC1 20494715 CHAUDMCNETYAGA-UHFFFAOYSA-N 331.365 1.408 0 40 EDAB O=C(CN1C[C@H]2CCC[C@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 84364181 WCMJEYBVJLBERH-CALCHBBNSA-N 341.455 1.927 0 40 EDAB Cn1cc(N2CCC[C@H](NS(=O)(=O)c3ccccc3F)C2)cn1 98013632 NHHURVKPOCAUMP-LBPRGKRZSA-N 338.408 1.507 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)c2ccsc2)cc1 56906495 JRKATBNINZTLJQ-ZDUSSCGKSA-N 348.380 1.323 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@@H](O)Cc1ccccc1 89499529 ZCKPSQAVNVYULX-AWEZNQCLSA-N 343.427 1.709 0 40 EDAB CC(C)[C@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 75116551 NFMMDTBYYXORDC-QFBILLFUSA-N 332.444 1.743 0 40 EDAB Cc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(=O)[nH]1 75118537 JBUMYJJTMDCCOX-UHFFFAOYSA-N 333.432 1.448 0 40 EDAB Cc1nc(S(=O)(=O)NC[C@](C)(O)c2ccc(F)cc2F)cn1C 89709016 MWAQLWCUHLOLKN-AWEZNQCLSA-N 345.371 1.193 0 40 EDAB Cc1cc([C@H]2CCCN(C(=O)CS(=O)(=O)C3CCCC3)C2)n[nH]1 76059811 JUWKATKHZBAGNB-ZDUSSCGKSA-N 339.461 1.782 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2ccc(Br)cc2)C1=O 408549167 QFKJRMXLZMFGRU-UXBLZVDNSA-N 339.145 1.515 0 40 EDAB O=C(CCN1C(=O)CCC1=O)N1CCN(c2ccccc2F)CC1 61470126 KETFMEVTFRNWCY-UHFFFAOYSA-N 333.363 1.013 0 40 EDAB COC(=O)[C@@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 72265569 SEKVMCBJAZKBNR-GFCCVEGCSA-N 344.367 1.084 0 40 EDAB COCCn1ccc(=O)c(OCC(=O)Nc2cc(C)ccn2)c1C 524734889 HCSDQZHLVWRTJW-UHFFFAOYSA-N 331.372 1.524 0 40 EDAB O=S1(=O)CC[C@H](N2CCN(c3ncc(Cl)cc3F)CC2)C1 79294232 PMSDPVZYZMGNBC-NSHDSACASA-N 333.816 1.183 0 40 EDAB CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 72859187 OFHDGVZZOLBNHF-CQSZACIVSA-N 331.416 1.439 0 40 EDAB CNC(=O)c1ccc([C@@H]2CN(CC3(O)CCCCC3)CCO2)nc1 72388109 OHZYRXIKMBOYKW-INIZCTEOSA-N 333.432 1.510 0 40 EDAB CC(C)n1cc(N2Cc3nc(N4CCC(O)CC4)ncc3C2=O)cn1 72260012 LPFMPZMNZPHKLM-UHFFFAOYSA-N 342.403 1.376 0 40 EDAB Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N(C)C)n1C 79042781 GZIJJONCPAYCGA-UHFFFAOYSA-N 341.458 1.575 0 40 EDAB O=C(O)CCCN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 563147663 GXSDGIYQAWNSQV-UHFFFAOYSA-N 334.372 1.611 0 40 EDAB O=S(=O)(NCc1cnn2ccccc12)c1ccc2c(c1)OCCO2 75162935 UFDYBGIWTCPOPU-UHFFFAOYSA-N 345.380 1.584 0 40 EDAB Cn1c(=O)n2n(c1=O)[C@@]1(C)C=C[C@@H]2[C@]23C=C[C@]12c1ccccc1CC3 45071337 UHZSZOQQHVASQC-TTYHFUOFSA-N 333.391 1.629 0 40 EDAB COC1(CNC(=O)NC[C@@H](O)c2cc(C)cc(C)c2)CCOCC1 225759149 BSTZPDBYVQFVFW-MRXNPFEDSA-N 336.432 1.832 0 40 EDAB Cc1cccc(S(=O)(=O)CCCN2C[C@@H]3OCCN(C)[C@@H]3C2)c1 195565732 SVNKALPGGGVACP-SJORKVTESA-N 338.473 1.174 0 40 EDAB CN(Cc1ncc(C(=O)O)cn1)S(=O)(=O)c1ccc(F)cc1 49468390 ICCWMSFULOQNGG-UHFFFAOYSA-N 325.321 1.135 0 40 EDAB CCN(CC)c1ncc(CN2CC[C@@H](C)S(=O)(=O)CC2)s1 192051943 XKRZMJLKUIFVIR-GFCCVEGCSA-N 331.507 1.998 0 40 EDAB C[C@H](O)C[C@H]1CCCCN1C(=O)CCCN1C(=O)C(C)(C)N=C1O 331011619 XYOOFTYLPMVVHY-QWHCGFSZSA-N 339.436 1.453 0 40 EDAB CC(C)CN1CCN(C)C(=O)C12CCN(C(=O)c1ccc[nH]1)CC2 96230271 XDYRSQSIVYCSQB-UHFFFAOYSA-N 332.448 1.420 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)C1CCC1)C2 96237850 JPFASQQAXMBKHR-IBGZPJMESA-N 327.428 1.736 0 40 EDAB O=C(c1ccoc1)N1CCOC[C@@]2(CCN(C3CCOCC3)C2)C1 96202052 IGLHBNJWADKGEM-GOSISDBHSA-N 334.416 1.623 0 40 EDAB CC(=O)N1CCN(Cc2nc(O)cc(C(F)(F)F)n2)C(C)(C)C1 96492523 JLSUOJPPLAUWGA-UHFFFAOYSA-N 332.326 1.644 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96108958 BGGIQOFQCJEMEN-VQIMIIECSA-N 341.411 1.726 0 40 EDAB O=C(Cn1nc(C(F)(F)F)ccc1=O)N1CCc2ccccc2C1 95437164 FRQAUWZBBLYCSH-UHFFFAOYSA-N 337.301 1.847 0 40 EDAB COC(=O)[C@@H]1C[C@H]2c3ccc(O)cc3N(C(C)=O)[C@H]2N1C(=O)OC 95936516 KBAAHMQZNNBUBY-UBHSHLNASA-N 334.328 1.182 0 40 EDAB Cc1ncc(CN2CC[C@@H](NC(=O)c3nccnc3N)[C@H](C)C2)s1 96419302 ZZONXGMVQSCSPK-ZWNOBZJWSA-N 346.460 1.464 0 40 EDAB c1ccc(Cn2cc3c(n2)[C@@H](CNCC2CCOCC2)OCC3)nc1 96059797 XSXAAQLQNWQWBH-GOSISDBHSA-N 342.443 1.956 0 40 EDAB COC[C@@H]1CN(S(=O)(=O)c2cccs2)Cc2ccnn2C1 96067229 NVJGWENKERYLIW-LLVKDONJSA-N 327.431 1.412 0 40 EDAB CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)COc2ccc3c(c2)CCC3)C1 583619618 KKSAKSRXOURHPT-CVEARBPZSA-N 342.399 1.661 0 40 EDAB O=C(C1CCOCC1)N1Cc2ccnn2C[C@@H](CN2CCCC2)C1 247877990 USXNSANPRKVXGN-HNNXBMFYSA-N 332.448 1.364 0 40 EDAB COc1cccc(S(=O)(=O)N2CC3(C[C@H](OC)CCO3)C2)c1 247944691 JKXWLKUTCFXJBV-CYBMUJFWSA-N 327.402 1.264 0 40 EDAB CCOc1ncccc1C(=O)N1CCO[C@@H](c2nc(C)cn2C)C1 257251233 JPZBBNDWFFBXTG-CQSZACIVSA-N 330.388 1.736 0 40 EDAB CC(C)c1nnc(CCC(=O)N2CCO[C@H](c3cccc(N)n3)C2)o1 257266247 MCCUESGVBIAZMW-ZDUSSCGKSA-N 345.403 1.703 0 40 EDAB Cc1ncoc1C(=O)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257242215 IBNWUCSGTPSWNY-KBPBESRZSA-N 327.340 1.239 0 40 EDAB NC(=O)c1cnn2c([C@@H]3CCCCN3Cc3ccccn3)ccnc12 257208856 BNVMVMCYYAENGQ-HNNXBMFYSA-N 336.399 1.950 0 40 EDAB COCCN1CCC[C@@H](NS(=O)(=O)c2cc(F)ccc2F)C1 584906756 SKWWBXRPYYADEB-GFCCVEGCSA-N 334.388 1.354 0 40 EDAB CS(=O)(=O)CCN1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 585091431 CMPSHQHMSIRJGF-XWSJACJDSA-N 348.512 1.873 0 40 EDAB O=C(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1ccc2ccccc2n1 257320489 VXBFHWDXMKWWPC-KBAYOESNSA-N 325.412 1.952 0 40 EDAB CC(C)(C(=O)N1CCC[C@H](Cc2cnc(N)cn2)CC1)n1cncn1 257247681 JAAKAWQRWOAMPF-ZDUSSCGKSA-N 343.435 1.257 0 40 EDAB CCOc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)c1 585122058 LUEDMRMGJMQDHM-ZBFHGGJFSA-N 342.399 1.131 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)ccn1 257216250 CTRYWXYIUQSAAT-SFHVURJKSA-N 340.427 1.817 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257218032 DBPNMUSSPKEGFP-HNNXBMFYSA-N 329.404 1.917 0 40 EDAB Cc1ncccc1C(=O)NCc1ccnc([C@H]2CN(C)CCO2)n1 257214050 CKHKXDSXCOTGPS-OAHLLOKOSA-N 327.388 1.113 0 40 EDAB O=C(O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)n1 262855395 UPMYQZHFJGJMIL-CYBMUJFWSA-N 345.399 1.691 0 40 EDAB CCOC(=O)CCCN1CCC(N2CCC[C@H]2C(=O)OC)CC1 1616034098 XDGWJFBSNSCKJO-HNNXBMFYSA-N 326.437 1.432 0 40 EDAB FC(F)(F)c1cc(N2CC[C@H](c3ncccn3)C2)n2ncnc2n1 1616034434 LKEODJMMPVVXHM-VIFPVBQESA-N 335.293 1.927 0 40 EDAB CN(C)S(=O)(=O)N(CCCOc1ccccc1)C1CCOCC1 390834321 WFDLEBHCGONPDR-UHFFFAOYSA-N 342.461 1.743 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)c3n[nH]cc3Cl)CCO2)c1 585278073 QBEBNLGVDQDHHD-QGZVFWFLSA-N 349.818 1.818 0 40 EDAB CCN1CCC(N2CCOC[C@@](O)(COc3ccc(C)cc3)C2)CC1 585277031 JHONOVFZWUVREA-HXUWFJFHSA-N 348.487 1.921 0 40 EDAB Cc1cc(NC(=O)CNC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)no1 585286962 PGLPCJFRHZZONC-DDUZABMNSA-N 345.399 1.730 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)c1ccnc(N2CCCC2)c1 585278152 LYXKLLRBSSZXKO-GOSISDBHSA-N 346.431 1.178 0 40 EDAB C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(C[C@@H]2COCCO2)CC1 585139991 SLKBOXWBUFTBRD-NKAIQICCSA-N 348.418 1.789 0 40 EDAB CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCC(=O)OC 69569954 UARGZLWTJVZILU-XJKSGUPXSA-N 346.427 1.665 0 40 EDAB Cc1cc(N2CCOCC2)ccc1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 48249092 CMSJCYMATTXEHC-CQSZACIVSA-N 343.427 1.781 0 40 EDAB COC1CCN(C(=O)CCn2nc(-c3cccs3)oc2=O)CC1 53886340 BQHKSYCOLMPLIF-UHFFFAOYSA-N 337.401 1.592 0 40 EDAB CCNC(=O)CN(CC)C(=O)C[C@H](NC(C)=O)c1cccs1 54678150 VMDCGDNNLUNEIU-LBPRGKRZSA-N 325.434 1.300 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N1CCN(C(=O)c2ccsc2)CC1 56865484 HQQHMFJSVLLNJM-ZDUSSCGKSA-N 347.444 1.501 0 40 EDAB COc1cc(NC(=O)[C@@H](C)OC)ccc1S(=O)(=O)N1CCCC1 75139505 XYMAFNZTIWDSLV-LLVKDONJSA-N 342.417 1.453 0 40 EDAB Cc1ncsc1CN(C)C(=O)c1ccnc(N2CCN(C)CC2)c1 75137443 AMEUYCMNRGONPU-UHFFFAOYSA-N 345.472 1.871 0 40 EDAB CCc1nc(CNS(=O)(=O)c2cn(CC)cn2)ccc1C(=O)O 547884643 KFQCUAIYIPMYAX-UHFFFAOYSA-N 338.389 1.037 0 40 EDAB CCOC(=O)[C@H](c1nc(Br)sc1C)N1CC[C@H](O)C1 585117187 TXOLRAKDPZXSJT-WPRPVWTQSA-N 349.250 1.885 0 40 EDAB CN(C(=O)c1n[nH]c2ccccc12)C1CN(c2cc3c(nn2)CCC3)C1 585590064 IXTLDYPDCKDZQU-UHFFFAOYSA-N 348.410 1.802 0 40 EDAB Cc1ccc(C)c(CC(=O)N2CCC[C@H](c3nnc(CO)n3C)C2)c1 1615614772 KBSHQMLWYKDASJ-HNNXBMFYSA-N 342.443 1.873 0 40 EDAB COc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCCC3)c(=O)n12 12181599 CJNUTXLFJNPMJW-UHFFFAOYSA-N 340.383 1.589 0 40 EDAB Cc1cc2oc(C(=O)NC[C@@H](C)n3cncn3)cc(=O)c2cc1C 12201571 YZEQBRBXVJYULU-GFCCVEGCSA-N 326.356 1.992 0 40 EDAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)c2cccnc2)CC1 12222721 AALKBPBYSHFJFA-UHFFFAOYSA-N 345.424 1.900 0 40 EDAB CCCNC(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12242137 IPPMVNFNQUYVKA-UHFFFAOYSA-N 325.372 1.448 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)c1cn(C)nc1C 13226899 QYAWQPHJFXYPMC-DOMZBBRYSA-N 336.399 1.982 0 40 EDAB C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCOCC1 19456443 DTLSBQQPTNBJRF-ZIAGYGMSSA-N 349.406 1.016 0 40 EDAB COc1ccc(CN2CCN(c3ncc4c(n3)CCOC4)CC2)cc1 19555408 SRNZJIJURCJCNT-UHFFFAOYSA-N 340.427 1.880 0 40 EDAB O=C(NC(=S)NCCCN1CCOCC1)c1cc2ccccc2o1 19913693 RVUCYRJXKGZBSQ-UHFFFAOYSA-N 347.440 1.759 0 40 EDAB Cn1ccc2c(C(=O)NC[C@@H]3C[C@@H](c4nc[nH]n4)C[C@@H]3O)cccc21 527561888 OFRKVOMKVDQKPL-WQGACYEGSA-N 339.399 1.581 0 40 EDAB C[C@H](C(=O)N1CC(CC(F)F)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 572835773 VIENIEFHJPIBGJ-JLLWLGSASA-N 328.359 1.664 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888854650 NDLKZZUBPOJIKW-FZMZJTMJSA-N 329.397 1.446 0 40 EDAB Cc1cc(CN2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@@H]3C2)on1 1888897005 AMOZXMMSGSEACF-STQMWFEESA-N 339.403 1.228 0 40 EDAB O=S(=O)(c1cccnc1)N1CC[C@H](COc2ccc(F)cn2)C1 1889176668 VRSBKNPIBBPTBO-LBPRGKRZSA-N 337.376 1.705 0 40 EDAB CCN(CC)S(=O)(=O)NCc1cccc(NC(=O)C2CC2)c1 23435204 VSGAHSVIJALGJP-UHFFFAOYSA-N 325.434 1.711 0 40 EDAB CN(C)Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 2037694218 UCQRBPJOFSTSBZ-OAHLLOKOSA-N 335.433 1.392 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCc1ccccc1 74164789 FQEVLORVCSFUNW-CABCVRRESA-N 334.416 1.716 0 40 EDAB O=C(N1CCO[C@@H]2[C@H](CNc3ncccn3)CC[C@@H]21)C1(F)CCC1 1565546867 BAJOIHCRNVEFCD-MELADBBJSA-N 334.395 1.787 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)[C@H]1CCOC1)C2 1565555015 NTUQMHRHPRTRGE-SUMWQHHRSA-N 349.456 1.034 0 40 EDAB Cc1noc([C@@H]2C[C@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@H]3O2)n1 1565541900 NMBWIQDPYGJDEN-LEWSCRJBSA-N 330.344 1.846 0 40 EDAB Cc1nc(C(=O)N2CCCn3c(nnc3CN(C)C(C)C)C2)cs1 2055714829 SUUUKXNCRUQNFA-UHFFFAOYSA-N 348.476 1.929 0 40 EDAB O=C(NC1CCC1)[C@H]1C[C@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]1O2 2055739056 JWBSYSKQHGFBBR-HEHGZKQESA-N 345.399 1.450 0 40 EDAB COc1cc(C(=O)N2CCC3(CC2)C[C@H](N2CCCC2)CO3)on1 2055835520 QBJZUYCTAGDCKF-ZDUSSCGKSA-N 335.404 1.543 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@@H](O)c1ccc(-c2ccco2)s1 1775967912 GDQQGNPGNGXSHO-SNVBAGLBSA-N 348.380 1.307 0 40 EDAB CN(C)c1ccc(N2CCN(c3ncnc4ncccc34)CC2)nn1 2086889724 UNQDSRXJGBYMCZ-UHFFFAOYSA-N 336.403 1.207 0 40 EDAB COCc1cc(=O)[nH]c2cc(NC(=O)c3cccn(C)c3=O)ccc12 49472743 MNSULVBVJKWZRR-UHFFFAOYSA-N 339.351 1.626 0 40 EDAB OC1(CN2CCN(c3nccc(N4CCCC4)n3)CC2)CCCCC1 2298183866 FTRHZLPVZALICQ-UHFFFAOYSA-N 345.491 1.894 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@H](c2ccc(O)cc2)N1 11665633 QYOKHZWYEXEWIJ-WFASDCNBSA-N 329.356 1.021 0 40 EDAB O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccc[nH]c1=O 40094820 COZILGUHTKVTGC-UHFFFAOYSA-N 327.262 1.641 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H](C)N2CCOCC2)cc1Cl 30338043 KEWHMYRJJWBCCD-LLVKDONJSA-N 348.852 1.348 0 40 EDAB COc1ccc(CNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)cc1 31482638 WFIDJTCBGTWTNC-UHFFFAOYSA-N 338.360 1.412 0 40 EDAB COc1cc(OC)c2[nH]c(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2c1 40489977 HSANOBIWVARHBR-SNVBAGLBSA-N 338.385 1.102 0 40 EDAB CCCn1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1=O 40473555 WOPIQOKHBLEXDX-MRXNPFEDSA-N 340.427 1.658 0 40 EDAB CC(=O)N1CCN(C(=O)CCNc2ncnc3sc(C)cc23)CC1 31866375 WCMXCZSCTLQFKW-UHFFFAOYSA-N 347.444 1.492 0 40 EDAB CCOc1ncccc1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 40553691 MXNHAJJQLSONTI-CYBMUJFWSA-N 327.388 1.669 0 40 EDAB Cc1cc(C)n2nc(CC(=O)Nc3ccc(-n4ccnc4)nc3)nc2n1 40529227 GBFBFXHHOBIRHB-UHFFFAOYSA-N 348.370 1.503 0 40 EDAB COCCCNC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 32768926 SSMDZOHIWLWRKT-OAHLLOKOSA-N 334.416 1.747 0 40 EDAB Cc1ccc2nc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)sc2c1 21668059 QWTPCCPDBFJZPL-NSHDSACASA-N 339.442 1.967 0 40 EDAB CCN(C(=O)[C@H](C)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 52770977 VDGANVPOAPIUDS-FZMZJTMJSA-N 328.409 1.662 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1C 33212696 DFJMNSTVGLZMCD-MRXNPFEDSA-N 326.400 1.921 0 40 EDAB C[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NC1CCCC1 71185027 PDZMRLVMGHHKRD-NSHDSACASA-N 327.384 1.705 0 40 EDAB Cc1nsc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1 78903632 AWCVKJFMYNZGPW-UHFFFAOYSA-N 348.457 1.238 0 40 EDAB Cn1cc(S(=O)(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cn1 79044692 CSJFZFRCJMVLIQ-MRXNPFEDSA-N 349.456 1.833 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N(Cc2ccncc2)C2CC2)C1 42391060 ZUJOLULXMKIUJD-CQSZACIVSA-N 337.445 1.244 0 40 EDAB CCc1cccc(NC(=O)CN2CCN(CC(=O)NC(C)C)CC2)c1 23286672 NVNMEBCXLIRVTG-UHFFFAOYSA-N 346.475 1.330 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=S)NCc2ccccc2)cc1 3339381 GZGWUVPADZYMEZ-UHFFFAOYSA-N 349.481 1.541 0 40 EDAB Cc1cccc(N2CCN(C(=O)c3ccnc(-n4cncn4)c3)CC2)c1 54675633 VZTCWPWZQMNJEZ-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB S=c1c2nc[nH]c2ncn1CCSc1ncnc2nc[nH]c12 3954032 MEEQZNFDTKBVBX-UHFFFAOYSA-N 330.402 1.947 0 40 EDAB in-vitro CC(C)n1c(CN2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4370713 LJTYZLJZLBFQTL-CHWSQXEVSA-N 347.463 1.493 0 40 EDAB CC(=O)C(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55099702 VZAYVRWWSBEKOG-QGZVFWFLSA-N 333.407 1.528 0 40 EDAB O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)NCCc1ccccc1F 55117316 RDSBWEUZPCFXGI-AWEZNQCLSA-N 349.431 1.968 0 40 EDAB Cc1nc2ccc(C(=O)OCC(=O)N3CCCC3=O)cc2nc1C 6848348 RKHNGMOUJAQEEI-UHFFFAOYSA-N 327.340 1.552 0 40 EDAB CCc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1Cc1ccccc1 97295714 RFOJXTGRAYIWTQ-CQSZACIVSA-N 347.440 1.411 0 40 EDAB Cn1cc([C@@H]2OCC[C@H]2CNCc2cnc(N3CCCC3)nc2)cn1 84317564 YUHOQIMRQPCTAG-DOTOQJQBSA-N 342.447 1.678 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1ccccn1 8024289 SWRUMKHELCFPTN-CYBMUJFWSA-N 344.415 1.856 0 40 EDAB CC(C)C(=O)OCC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 8882242 NUUOKHDKKBOKGE-LLVKDONJSA-N 339.413 1.779 0 40 EDAB Cc1ccc(C)c(NC(=O)CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 106871498 IISWZWNPDIMMMO-KBPBESRZSA-N 326.462 1.995 0 40 EDAB CN1CCC[C@H](CNC(=O)N2CCNC(=O)C2)[C@H]1c1cccs1 107356280 DUYQEYXDDDHEQG-DOMZBBRYSA-N 336.461 1.272 0 40 EDAB Cc1cccc(OCCN(C)C(=O)c2nc3nccc(C)n3n2)c1 58079516 LGOVTRUFBHBEMT-UHFFFAOYSA-N 325.372 1.892 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)c1ccc(O)nn1)N1CCCC1 27569583 UAVARLXYUQRAAN-OAHLLOKOSA-N 342.399 1.758 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)o1 44869459 IVOALHFIIOMQFO-LLVKDONJSA-N 335.385 1.263 0 40 EDAB O=c1ccnc2sc(NCCc3ccc4c(c3)OCCO4)nn12 48229784 PNWVYMMDCSOOGD-UHFFFAOYSA-N 330.369 1.577 0 40 EDAB Cc1cc(C)n2c(CN3CCN(C(=O)c4ccoc4)CC3)cnc2n1 95982473 YLUMOPJQLATSSS-UHFFFAOYSA-N 339.399 1.897 0 40 EDAB O=C(NCc1ccnc(N2CCCC2)c1)N[C@H]1CCN(CC2CC2)C1 95394104 JEKZCLVAFLXTDO-KRWDZBQOSA-N 343.475 1.965 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)NC(C)(C)C 12786077 QEKLXVZEGLDTDZ-LBPRGKRZSA-N 341.477 1.960 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(C)=O)c2)C1=O 3382065 SCJDJTFDWZCMAV-UHFFFAOYSA-N 345.355 1.419 0 40 EDAB NC(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl 3325898 RJHHUJJBHILXQJ-UHFFFAOYSA-N 326.761 1.313 0 40 EDAB COc1ccc(-c2nn([C@H]3CC(=O)[C@H]4OC[C@H]3O4)c(=S)n2C)cc1 103281701 WRMVYVASKKHCME-LNSITVRQSA-N 347.396 1.882 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@H]1CCSc2ccc(F)cc21 48353537 GXLCDNKZNWWCSF-JQWIXIFHSA-N 344.433 1.849 0 40 EDAB CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccnc(-n2ccnc2)c1 48319548 BZXZCBHFYKZVHS-UHFFFAOYSA-N 335.367 1.638 0 40 EDAB CCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 48324512 HDPXNROZRNFGSI-GFCCVEGCSA-N 346.836 1.009 0 40 EDAB CC(=O)Nc1nc(C(=O)NCCCOC[C@H]2CCCO2)cs1 48304382 ADIFLKPPVUJABB-LLVKDONJSA-N 327.406 1.417 0 40 EDAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCOC(C)C 10315187 MDOWPDYNRSVYSI-UHFFFAOYSA-N 328.434 1.911 0 40 EDAB CCc1cccc(CC)c1NC(=O)Cn1cnc2c(cnn2C)c1=O 11469818 XLKZNRKYHSAWOJ-UHFFFAOYSA-N 339.399 1.894 0 40 EDAB CN(CC(=O)Nc1c2c(nn1-c1ccccc1)CCC2)S(C)(=O)=O 46183017 BCXPBQNVCLXWFB-UHFFFAOYSA-N 348.428 1.191 0 40 EDAB CS(=O)(=O)CCNC(=O)N1CCN(c2cccc(Cl)c2)CC1 60212131 KBSHZVVPMRHHTF-UHFFFAOYSA-N 345.852 1.216 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 12939037 UDGZNYGVJFQEJW-UHFFFAOYSA-N 345.380 1.653 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCNCc2ccccc2Cl)C[C@@H](C)O1 48783180 SZNYTSITFUFRFF-BETUJISGSA-N 346.880 1.869 0 40 EDAB CC[C@H](C(=O)NCc1noc(-c2ccsc2)n1)N1CCCC1=O 84718738 XVRBXPQCQJNLDH-LLVKDONJSA-N 334.401 1.815 0 40 EDAB CCn1nnc(-c2ccc(O)c(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)c2)n1 71285291 LOCAWIURYRSOES-NWDGAFQWSA-N 345.359 1.361 0 40 EDAB Cc1ccc(Br)cc1C(=O)N1CCO[C@H](C(=O)O)C1 87741967 DPRLDIYGNKIWHX-NSHDSACASA-N 328.162 1.683 0 40 EDAB CC(C)Cc1cc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n(C)n1 64524581 PCDBSMCPHYIBGZ-UHFFFAOYSA-N 341.371 1.401 0 40 EDAB O=C(Cc1noc([C@@H]2CCn3cncc3C2)n1)NC1CCCCC1 96009431 KFZXJUQPOKJXEB-GFCCVEGCSA-N 329.404 1.988 0 40 EDAB O=C(Nc1ccc(-n2cncn2)nc1)N1CCO[C@H]2CCCC[C@@H]21 65399449 NGTIMTBLXCUIEU-KBPBESRZSA-N 328.376 1.838 0 40 EDAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)no1 5203923 VVMIVUNLULBDAG-NSHDSACASA-N 347.327 1.106 0 40 EDAB COc1cccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 5291825 VLHPXHODSKDSSN-UHFFFAOYSA-N 345.399 1.566 0 40 EDAB NC(=O)c1ccc(CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 14196981 CTYVDSINJWCEIC-OAHLLOKOSA-N 348.424 1.568 0 40 EDAB NS(=O)(=O)c1cc(C(=O)N2CCC(C(F)(F)F)CC2)co1 95975613 YSRBMJYNKLIGAH-UHFFFAOYSA-N 326.296 1.342 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccccc1)C2=O 6680154 RNURKYPNQGCRKX-ACJLOTCBSA-N 329.400 1.804 0 40 EDAB COC[C@@H](C)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 9390269 JMUKKSRJSHREBC-SSDOTTSWSA-N 345.182 1.741 0 40 EDAB COC(=O)CCNC(=O)CN1C[C@H](c2ccccc2)OCC1(C)C 66897046 SKXLXVPUOJBICN-OAHLLOKOSA-N 334.416 1.518 0 40 EDAB Cc1cc(NC(=O)C(=O)N2CCc3ccc(Cl)cc3C2)n(C)n1 95446029 LPYBNSDBGMEEIW-UHFFFAOYSA-N 332.791 1.905 0 40 EDAB O=C(Cn1cnnn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8137126 PSIIFIGRYCDFKJ-UHFFFAOYSA-N 340.309 1.041 0 40 EDAB COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)c1 81638687 RAINJVMWLQWVBW-GFCCVEGCSA-N 343.383 1.427 0 40 EDAB Cc1ccn2cc(C(=O)N3CCC[C@H](N4CCNC4=O)C3)nc2c1 71841750 BFDSEQBDIKVEAP-ZDUSSCGKSA-N 327.388 1.273 0 40 EDAB NC(=O)[C@@H](CNC(=O)COC1CCCCC1)Cc1ccc(F)cc1 71826876 CDKLBPVHIIKOHI-CQSZACIVSA-N 336.407 1.935 0 40 EDAB Cc1ccsc1-c1nnc(NC(=O)CCNC(=O)[C@H]2C[C@H]2C)[nH]1 69388451 JOOWBJBLAJCJSE-ZJUUUORDSA-N 333.417 1.942 0 40 EDAB Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1nc(CC(N)=O)cs1 69387359 LHFKXOKFLSIDBQ-UHFFFAOYSA-N 335.433 1.992 0 40 EDAB Cc1noc(C)c1CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1 69566912 BHAIAUCGAIFEGE-CQSZACIVSA-N 337.445 1.999 0 40 EDAB Cc1noc(C)c1C(=O)NCCNC(=O)c1n[nH]c2ccccc12 69615453 DLKZWSBMFXWVTF-UHFFFAOYSA-N 327.344 1.328 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccc(OCC3CC3)nc1)C2 69655161 SZFBJPBDQCGJBR-UHFFFAOYSA-N 327.388 1.680 0 40 EDAB COC(=O)CCCNC(=O)c1cc(NC(=O)NC(C)C)ccc1O 71921947 IEXBOJQEQBQCFR-UHFFFAOYSA-N 337.376 1.605 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccn2)C1=O)c1ccco1 69740183 UJKOHVHSXPKRAM-PIGZYNQJSA-N 342.355 1.319 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)CN1CCC[C@H](Cn2cncn2)C1 69872852 HLIUMXAHLHTJFN-INIZCTEOSA-N 345.422 1.788 0 40 EDAB Cc1ccc(NC2CCN(C(=O)[C@H](C)Cn3cccn3)CC2)nn1 69899538 QMOJGJLPWIDZIM-CYBMUJFWSA-N 328.420 1.721 0 40 EDAB COCCN1CCN([C@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@H]1C 69951258 HKULONLQFWBWBQ-DGCLKSJQSA-N 340.493 1.739 0 40 EDAB O=C(c1ccc(-c2nc(C3CC3)n[nH]2)cc1)N1CCOC[C@H]1CCO 92437891 KQYDCMPPWBRBEF-OAHLLOKOSA-N 342.399 1.573 0 40 EDAB CCN1C(=O)NC(=O)[C@]2(Cc3c(ccc4ccccc34)N(C)C2)C1=O 8974362 QZBOMVMOYQGXBB-LJQANCHMSA-N 337.379 1.917 0 40 EDAB CC(C)c1cc(CNC(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)on1 98020285 UAQUIIJTDXMNAF-KRWDZBQOSA-N 347.419 1.989 0 40 EDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCN(C3CC3)CC2)o1 84195262 AJLNTNLVDISMQV-HNNXBMFYSA-N 339.461 1.750 0 40 EDAB CN(C)c1nc(CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)ns1 97080299 PWYHDVGIUGTTIB-QGZVFWFLSA-N 342.424 1.747 0 40 EDAB O=c1c(I)cc(F)cn1C[C@H]1CCOCO1 97085550 NKPOSUIXGREZAK-MRVPVSSYSA-N 339.104 1.355 0 40 EDAB CCC[C@@H]1C[C@H]1NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 97049769 VOXCDKDWJRFFPF-UKRRQHHQSA-N 340.493 1.958 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1OC 72269470 JCMYGBXIVJZZIY-HZPDHXFCSA-N 348.443 1.304 0 40 EDAB CN(C)c1ccc(N2CCN(C(=O)CNC(=O)C(C)(C)C)CC2)cc1 72297899 RIWCDOUQZKYZEC-UHFFFAOYSA-N 346.475 1.564 0 40 EDAB CCc1nc([C@@H]2CCCN2Cc2cccc(OCC(N)=O)c2)no1 72279375 BKAGJXQVXSSARJ-AWEZNQCLSA-N 330.388 1.833 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 72235315 KYHNUPKNXIFTRF-ZDUSSCGKSA-N 325.376 1.644 0 40 EDAB CC(=O)N[C@](C)(C(=O)N1CCC[C@@H](n2nc(C)cc2C)C1)C1CC1 72235770 PLYYOAJUPHBNCJ-AEFFLSMTSA-N 332.448 1.968 0 40 EDAB CN1CCN(c2cc(C(=O)N3CCO[C@H]4CCC[C@H]43)ccn2)CC1 72281042 BNHQKEKNAFHKKW-CVEARBPZSA-N 330.432 1.227 0 40 EDAB Cc1noc(Cl)c1CCC(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 72300457 NBXQWYBQVRDMGN-FZMZJTMJSA-N 341.839 1.748 0 40 EDAB CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NCc1n[nH]c(=O)[nH]1 89694628 WJFPBXLTQFVKOQ-UHFFFAOYSA-N 340.387 1.511 0 40 EDAB O=C(CNCC1CCN(CCO)CC1)N1CCC[C@@H]2CCCC[C@H]21 89818629 XQTMIRISSBTASP-ZWKOTPCHSA-N 337.508 1.462 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)C[S@@](=O)c2cccc(Cl)c2)C1 89954630 JHBOXOQMTLZNEH-DMZKTXOQSA-N 342.848 1.575 0 40 EDAB COc1ccc([C@@H](CNC(=O)N[C@@H](C)Cn2ccnc2)N(C)C)cc1 89904426 PARARYBIACJMDT-WMLDXEAASA-N 345.447 1.882 0 40 EDAB CC[C@H]1CN(C(=O)Cn2c(C)nc3ccccc3c2=O)C[C@H]1N(C)C 89948452 MVLZNOASOXBXRS-WMLDXEAASA-N 342.443 1.504 0 40 EDAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(N)(=O)=O)CC1 33045280 YWURGXCNUCTVSR-ZIAGYGMSSA-N 345.509 1.623 0 40 EDAB O=C(O)c1cnc(COc2c(F)c(F)c(F)c(F)c2F)[nH]c1=O 217383452 RQDLQVBPQPAXGM-UHFFFAOYSA-N 336.172 1.743 0 40 EDAB Cc1cccc(C)c1NC(=O)C[C@H](CN1CCN(C)CC1)C(=O)O 61721882 WRHSFESYLBVIRG-OAHLLOKOSA-N 333.432 1.580 0 40 EDAB Cc1cccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)c1C 32859758 ACCZRSXYHRQOEG-UHFFFAOYSA-N 327.384 1.820 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3C)C2=O)cc1 409021808 ZKYVCWAQLYFAFW-XNTDXEJSSA-N 338.367 1.865 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C(=O)O)C2CCOCC2)c1 514599361 NAWGANKSEACKFG-CQSZACIVSA-N 341.429 1.709 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NC[C@H](C(=O)O)C2CCOCC2)c1 514599360 NAWGANKSEACKFG-AWEZNQCLSA-N 341.429 1.709 0 40 EDAB CCn1nncc1CNC(=O)N[C@H]1CCN(c2ccc(F)cc2)C1 528019746 WOOAATFFUZEKRO-ZDUSSCGKSA-N 332.383 1.515 0 40 EDAB CCCNC(=O)[C@@H](CCSC)NC(=O)[C@H]1Cc2ccccc2CN1 35855766 NRCBUUZKKUUOGR-HZPDHXFCSA-N 349.500 1.465 0 40 EDAB COc1ccc2[nH]cc(NC(=O)N3CC[C@@H](O)[C@H](C)C3)c(=O)c2n1 72347428 PRSKVOIDLMXGFV-BXKDBHETSA-N 332.360 1.166 0 40 EDAB COc1ccccc1CC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 78987015 NZUYBILCVHYYLJ-NSHDSACASA-N 330.306 1.517 0 40 EDAB CCN(CC)S(=O)(=O)NC(=O)Cc1c[nH]c2ccc(OC)cc12 78984774 BEFINAYAFYKDGK-UHFFFAOYSA-N 339.417 1.422 0 40 EDAB Cc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 46436515 PAQPDYOGMQBBNG-UHFFFAOYSA-N 332.425 1.932 0 40 EDAB Cc1cccc(CCNC(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 75128023 RLRDINZYSWTOGB-KRWDZBQOSA-N 346.475 1.424 0 40 EDAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc[nH]1 223677415 QHGIBMZSJXKMCC-GJZGRUSLSA-N 330.413 1.945 0 40 EDAB Cc1nc(Cc2ccc(N(C)S(C)(=O)=O)cc2)ncc1C(=O)O 226106114 JNSTYQGVVIZVKX-UHFFFAOYSA-N 335.385 1.470 0 40 EDAB O=S(=O)(NC[C@@H](O)c1ccoc1)c1ccc2c(c1)OCCO2 75171870 SBBFRLKQORVWLZ-GFCCVEGCSA-N 325.342 1.063 0 40 EDAB Cc1noc(C)c1[C@H](C)CNS(=O)(=O)N1CCC[C@H](C(=O)O)C1 568877364 BAMIGTDHYUWJBO-SKDRFNHKSA-N 345.421 1.026 0 40 EDAB Cc1cc(C)n2c(S(=O)(=O)Cc3ccn(C(C)C)n3)nnc2n1 195081499 FMAJCKTZDHWAEY-UHFFFAOYSA-N 334.405 1.492 0 40 EDAB COc1ccccc1OCc1cn(CC(=O)Nc2ccn(C)n2)nn1 227161129 UNLIBXKLFOPDFN-UHFFFAOYSA-N 342.359 1.238 0 40 EDAB O=C(NC[C@H]1CN(C2CC2)CCO1)c1nn[nH]c1-c1ccccc1 194190599 UDVHACUTFQUJNV-AWEZNQCLSA-N 327.388 1.065 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC[C@@]1(C)C(=O)O 530209800 YISBEHQKLTXJFU-HSMVNMDESA-N 325.409 1.330 0 40 EDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)NC[C@@H](O)c2c(F)cccc2F)C1 195544895 MMGORMGZIPUUGB-COPLHBTASA-N 348.415 1.811 0 40 EDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)NCc3cccs3)C2)n1 225406872 NTBSYMBLCZANBS-LBPRGKRZSA-N 347.444 1.967 0 40 EDAB CCNC(=O)CN(C)CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 40554278 JJOIYLVTDBIDMP-UHFFFAOYSA-N 348.447 1.175 0 40 EDAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cccnc2)cc1 224271496 NDLVEFTWUZWERB-UHFFFAOYSA-N 349.412 1.141 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CCc1cccs1 81299366 SQFHATFNYIHEQZ-CQSZACIVSA-N 344.502 1.953 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)C1(NC(=O)OC(C)(C)C)CCCC1 96403569 AEXJPBIKIHABTI-UHFFFAOYSA-N 341.452 1.807 0 40 EDAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1ccco1)CC2 96201575 VTMDPHHUFPWOGZ-ZDUSSCGKSA-N 332.400 1.912 0 40 EDAB O=C(COc1cccc(N2CCCC2=O)c1)N1CCO[C@@H](CF)C1 332227912 XTTOARRDLUKSFZ-HNNXBMFYSA-N 336.363 1.389 0 40 EDAB O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)[C@H]1CCc2cccnc21 333529903 XVTKTZMZYDBNMG-JKSUJKDBSA-N 336.395 1.818 0 40 EDAB COc1c(CN2CCN(C3=NCC(C)(C)S3)CC2)c(C)nn1C 92032190 DEDDSVXWWIJPFR-UHFFFAOYSA-N 337.493 1.736 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CN2CCS(=O)(=O)[C@H]3COCC[C@@H]32)o1 579807239 UQVJTXLKLCASFT-DSRCVFDASA-N 325.430 1.791 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3nccs3)C[C@@H]12)N1CCCC1 96057207 OJMDHSPFFVFSHL-KFWWJZLASA-N 335.473 1.850 0 40 EDAB O=C([C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)O1)N1CCOCC1 96057495 NMDVGQFQPMMHDI-KZNAEPCWSA-N 348.418 1.806 0 40 EDAB CCS(=O)(=O)N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 96186012 KOAKVVULSLERLV-HRCADAONSA-N 339.461 1.095 0 40 EDAB Cn1cc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2cccnc2)cn1 96061451 SMLBVGKUNFJURX-MRXNPFEDSA-N 325.416 1.453 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)NCc1ccccc1OCC1CC1 96417826 GFGUZRNBCWIDJX-CYBMUJFWSA-N 329.404 1.955 0 40 EDAB CCc1nc(CN2CCCN(C(=O)c3ccc(OC)cc3)CC2)n[nH]1 97096433 WYQZVNOQHMFTGJ-UHFFFAOYSA-N 343.431 1.724 0 40 EDAB COc1cc(N2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)ncn1 96043302 XXLZZWIPCNFUCN-QLFBSQMISA-N 346.431 1.243 0 40 EDAB C[C@]1(O)CC[C@@H](C(=O)NCc2cccnc2)N(Cc2ccoc2)C1 96070425 ZDDGWAKGVRBIFN-WMZOPIPTSA-N 329.400 1.706 0 40 EDAB O=C(c1ccno1)N1CCC[C@]2(C[C@@H](Oc3ncccn3)CO2)C1 96073678 OXGVGSMODGJWFO-WBMJQRKESA-N 330.344 1.307 0 40 EDAB O=C(Cc1ccccn1)N1C[C@@H]2CCCO[C@@H]2[C@H](N2CCCC2)C1 97953439 IUAVCRCQIQGTCN-WDYCEAGBSA-N 329.444 1.726 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](CC[C@@H](N)C(=O)OC(C)(C)C)C(=O)O 98091680 LRAFZQCKSJOTAB-ZJUUUORDSA-N 332.397 1.414 0 40 EDAB Cc1cc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(C)o1 583616392 NCUREKRXPGUMOM-MCIONIFRSA-N 329.418 1.447 0 40 EDAB CCOc1ccsc1C(=O)N1Cc2ccnn2[C@H](C(=O)NC)C1 253385154 RPKNKBYAQXHSNH-NSHDSACASA-N 334.401 1.286 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1c1csc(Nc2ncccn2)n1 257220763 DMARCIWISCBUNM-SNVBAGLBSA-N 325.419 1.773 0 40 EDAB CCc1ccc(-n2nc(C(=O)O)c(N3CCN(CC)CC3)n2)cc1 256047995 PYOWOHJMJHFDJG-UHFFFAOYSA-N 329.404 1.670 0 40 EDAB COc1ccc([C@H]2CNCCN2C(=O)CCn2ccc(C)n2)cc1 257247915 JBDQXDUDVAUSIU-QGZVFWFLSA-N 328.416 1.763 0 40 EDAB CC1CN(C(=O)[C@@H](NC(=O)c2cc(Cl)ccc2Cl)[C@H](C)O)C1 585135692 XAHDYYUDHMAMCQ-ZANVPECISA-N 345.226 1.951 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 585127235 UFSQKHYMDQSOBJ-YDHLFZDLSA-N 337.391 1.907 0 40 EDAB CNC(=O)c1cccnc1NS(=O)(=O)c1ccc2c(c1)CCC2 585129314 FONVEBQPQZYLCL-UHFFFAOYSA-N 331.397 1.731 0 40 EDAB Cc1ccnc2nc(C(=O)N3C[C@@H]4C[C@H]3CN4Cc3ccccc3)nn12 585135479 LZVXVWGBJQVXOY-HOTGVXAUSA-N 348.410 1.532 0 40 EDAB Cn1cncc1CN1CCC[C@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257266548 MDMAAMRTGUKDGL-GFCCVEGCSA-N 337.449 1.001 0 40 EDAB CNc1nccnc1[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)CCO1 257258282 KTDHEMNDMHKRBG-CQSZACIVSA-N 348.428 1.589 0 40 EDAB O=C(c1ccc(N2CCCC2)cc1)N1CC[C@](O)(CN2CCCC2)C1 257204526 AVAPHMOCZSAHJR-FQEVSTJZSA-N 343.471 1.960 0 40 EDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(Cc2cccnc2)C3)n1 253600886 CDZPHJDKBIIYDM-INIZCTEOSA-N 326.400 1.992 0 40 EDAB C[C@@H](CS(C)(=O)=O)NC(=O)NCCc1c[nH]c2ccc(F)cc12 265285053 GQCHNVADALCODS-JTQLQIEISA-N 341.408 1.582 0 40 EDAB CN(Cc1nnc2n1CCOCC2)C(=O)[C@@H]1COc2ccccc2C1 1615551549 XRQHBEPQJLGYBT-AWEZNQCLSA-N 342.399 1.061 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)N1CCC2(CCNCC2)C1 1615613964 CNDLGHYTFVEHPH-IBGZPJMESA-N 329.444 1.398 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc4nncn4n3)C2)nc1 298770690 DXSPJVPYDYASBO-ZDUSSCGKSA-N 337.387 1.683 0 40 EDAB NC(=O)C1(O)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 391444718 FGKKFODGOZGNNB-UHFFFAOYSA-N 331.294 1.550 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575405592 SJQYJNDJVYYFGT-ZDUSSCGKSA-N 326.418 1.434 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)C3CC(F)(F)C3)[C@H]2C1 575405445 SLVHLEKZEGNLLC-RHZHCTOVSA-N 342.386 1.277 0 40 EDAB CS(=O)(=O)Cc1ccccc1CNC(=O)C1(C(=O)O)CCCC1 580954597 VBPSCRODUDNDKP-UHFFFAOYSA-N 339.413 1.492 0 40 EDAB Cn1cc(CN2CC3(CC[C@H](CNC(=O)N4CCCC4)CO3)C2)cn1 585104441 IOEZTBBBDQDGNY-OAHLLOKOSA-N 347.463 1.207 0 40 EDAB O=C(CC1(n2cnnn2)CCOCC1)Nc1cc2cc[nH]c2cn1 585112926 JEYPCIWWQVSQTA-UHFFFAOYSA-N 327.348 1.084 0 40 EDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)CCc3ccno3)CCO2)cc1 585277645 OAYPLPGNVWTZEA-IBGZPJMESA-N 344.411 1.748 0 40 EDAB CN1CCC(N2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 585278120 ZUAFCXGNURXMPD-GOSISDBHSA-N 338.423 1.362 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4nnsc4C)C[C@H]3C2)cs1 585107571 FDIHYYFNGDAHRS-VXGBXAGGSA-N 349.485 1.815 0 40 EDAB CCC(CC)CN(CC(=O)OC)C(=O)[C@H](C)NC(=O)c1ccoc1 67613315 AAAVJDOEIITJNE-LBPRGKRZSA-N 338.404 1.836 0 40 EDAB O=C1c2ccccc2C(=O)N1CCCCNc1ccc2nnnn2n1 71894555 YKXCWIFHFIHSSQ-UHFFFAOYSA-N 337.343 1.008 0 40 EDAB CC(C)(C)CCN[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc(Cl)cn2)[C@H]1O 952844671 FQUJFJQJHIJWSS-XGFWRYKXSA-N 329.828 1.588 0 40 EDAB biogenic,in-vitro COc1ccc(OC)c(CN2CCN(C(=O)c3cnsn3)CC2)c1 47624624 WAIZRJTYSZVGBC-UHFFFAOYSA-N 348.428 1.513 0 40 EDAB O=C(NCc1ccccn1)Nc1cccc(C(=O)N2CCOCC2)c1 48486625 ZCKXNWGQTONAIM-UHFFFAOYSA-N 340.383 1.876 0 40 EDAB CC(C)c1cnc(CN2CCO[C@H](CN(C)c3cccnn3)C2)o1 84630745 UZPLLDGQNQVUGQ-CQSZACIVSA-N 331.420 1.925 0 40 EDAB CN(C)c1ccccc1CN1CCN(CCNC(=O)C2CCC2)CC1 75751778 BKYCXBNFLPTLOS-UHFFFAOYSA-N 344.503 1.787 0 40 EDAB C[C@@]1(NC(=O)C[C@H]2CCCO2)CCN(C(=O)c2cnc3n2CCC3)C1 1536757130 CFFFNJDWCLPRAP-FZKQIMNGSA-N 346.431 1.119 0 40 EDAB CC(=O)N1CCc2ccc(NS(=O)(=O)c3cccnc3)cc2C1 38709824 QAUDJBAXVJGPET-UHFFFAOYSA-N 331.397 1.787 0 40 EDAB C[C@@H](N[C@@H]1CCCc2c1cnn2C(C)(C)C)C(=O)N1CCOCC1 78890394 SZQXXNJDAFRGOY-UKRRQHHQSA-N 334.464 1.852 0 40 EDAB CC(C)CNC(=O)[C@@H](C)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2 84544296 FYABURYHLLUHCK-MNOVXSKESA-N 347.385 1.653 0 40 EDAB CCS(=O)(=O)NCCNCc1ccc(C)cc1Br 95973519 RUUZDYYNIVMXHE-UHFFFAOYSA-N 335.267 1.786 0 40 EDAB CN(C(=O)[C@@H]1CSCN1S(=O)(=O)[C@@H]1C[C@@H]2CCC[C@@H]21)C1CC1 1615606335 WLTFGYDYQHFUND-DOERSZECSA-N 344.502 1.501 0 40 EDAB CC(C)CNC(=O)[C@]1(Cc2cc([C@H]3CCOC3)no2)CCCNC1 12220156 FXTKSEXHGARECT-KSSFIOAISA-N 335.448 1.863 0 40 EDAB Cc1ccc(N2CCn3c2nnc(C(=O)NCCC(C)C)c3=O)cc1 12233666 UJUJQAODPMNKIU-UHFFFAOYSA-N 341.415 1.874 0 40 EDAB CN1C(=O)N(C)C2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1=O 16849918 RTGGJDLTAUGUHW-UHFFFAOYSA-N 335.791 1.839 0 40 EDAB O=C1CN(C(=O)CN2CCC[C@@H]2Cn2cccn2)c2ccccc2N1 19658091 WSJUCWWOZOZPFO-CQSZACIVSA-N 339.399 1.333 0 40 EDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@H](O)[C@@H](CO)C1 107286692 ITUWCHSZXCXRFP-OSMZGAPFSA-N 327.808 1.745 0 40 EDAB Cc1nccn1CC1(O)CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 19287910 RBAFLVCZPFMCLW-IYBDPMFKSA-N 348.491 1.523 0 40 EDAB Cc1nnc2ccc(N3CCN(c4cc5c(nn4)CCC5)CC3)nn12 575609648 YXZCARHQIDWHOI-UHFFFAOYSA-N 336.403 1.038 0 40 EDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2cn(C)nc2C)on1 583623223 YLKSAQWIKTUODQ-KBPBESRZSA-N 349.410 1.710 0 40 EDAB Cc1nnc(NC(=O)[C@H]2CCCN(c3cc4c(nn3)CCC4)C2)s1 585150580 UHOITPBTTOEHCK-LBPRGKRZSA-N 344.444 1.980 0 40 EDAB Cc1nc2ccccc2n1CC(=O)N1CC[C@@](O)(CN2CCCC2)C1 1848352464 SSHFAWDQXBZHFY-LJQANCHMSA-N 342.443 1.404 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCO[C@@H](c3ccncc3)C2)c1C 1848355389 CHCBQBQEPDLFLR-CQSZACIVSA-N 336.417 1.369 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCN(c2ncccn2)CC1 12366674 WGAFYJZUTADENG-UHFFFAOYSA-N 326.356 1.210 0 40 EDAB O=S(=O)(CCc1ccccc1)NCC1(O)CSCCSC1 1888879556 BGDHFTSSLPMXKX-UHFFFAOYSA-N 347.527 1.360 0 40 EDAB Brc1cnn(CC2CN(c3nccn4nccc34)C2)c1 1889136308 DHBCFJPFWNBHJA-UHFFFAOYSA-N 333.193 1.825 0 40 EDAB CC(=O)N1N=C(C)C[C@]12CC[C@H]1CN(C(=O)Cc3nc(C)no3)C[C@H]12 1565556332 ROLGLIOGQGTHED-VBQJREDUSA-N 345.403 1.156 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@@H]2NC(=O)CCc1ccc[nH]1 1565555497 IZDGYJDVOMHJMY-AWEZNQCLSA-N 328.416 1.839 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 1565546571 HHGBFACQBJLKKW-RDTXWAMCSA-N 329.400 1.464 0 40 EDAB CN(C)CCN1CCOCC2(CCN(C(=O)c3cc[nH]c3)CC2)C1 1565542617 RLJVPLFAXXCXIR-UHFFFAOYSA-N 334.464 1.131 0 40 EDAB O=C(CSc1nnc(NC(=O)C2CC2)s1)NC[C@H]1CCCO1 4328575 LKLOCQUKDHMTLB-SECBINFHSA-N 342.446 1.274 0 40 EDAB CCCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3F)c2n1 5271112 ZWMMJNQKQQDOQD-UHFFFAOYSA-N 329.335 1.689 0 40 EDAB CC(C)CNC(=O)C(=O)Nc1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2 101078934 QYLPYTRQDAKPPH-LLVKDONJSA-N 329.400 1.794 0 40 EDAB COc1cc2s/c(=N/C(=O)c3ccnn3C)n(C)c2cc1OC 101335371 WRORXQKDQNCMHL-BMRADRMJSA-N 332.385 1.732 0 40 EDAB Cc1cc(C(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)c(C)o1 44003530 FFBAVCAMHZKVRP-UHFFFAOYSA-N 340.445 1.830 0 40 EDAB CN(C)c1nc(CNC(=O)/C=C/c2cccs2)nc(N(C)C)n1 575607956 RGWQQAPHIGHSIU-BQYQJAHWSA-N 332.433 1.395 0 40 EDAB Cc1cc(N2C[C@H]3CN(C(=O)[C@H](C)n4cccn4)C[C@H]3C2)ncn1 1065960353 FKQZILHVEFBUEO-SOUVJXGZSA-N 326.404 1.137 0 40 EDAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)/C=C/c2cccs2)C1 585322772 DNSOHBAZEYLBKH-SNAWJCMRSA-N 337.426 1.180 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@@]2(O)C=CCCC2)cc1F 606440501 ZWFPXAQTPWMYLS-OAHLLOKOSA-N 329.393 1.974 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](c1ccccc1)C1CCCC1 40555177 XIJKPCWHUAJEKS-QGZVFWFLSA-N 327.384 1.584 0 40 EDAB CCN(CC(=O)NC)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C 40539472 SKOUXNWTCSBNPQ-UHFFFAOYSA-N 331.420 1.608 0 40 EDAB Cc1ccc(C[C@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)cc1 51462774 FDTVNOKJJJNWNQ-GDBMZVCRSA-N 338.473 1.714 0 40 EDAB C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CC(N)=O)c2ccccc21 299966 GGARBVOVUGOSFF-CWTRNNRKSA-N 338.363 1.225 0 40 EDAB CC[C@@H](CNC(=O)Cn1nc(C)c2ccccc2c1=O)N1CCCC1 32660998 UMJYGHXUHOOQKJ-HNNXBMFYSA-N 342.443 1.696 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2nncs2)cc1 21214471 VBWXTZBWPYSHEA-UHFFFAOYSA-N 326.403 1.018 0 40 EDAB CCc1ccc(Cn2nccc2NC(=O)c2ccc(=O)n(C)n2)cc1 21599529 BFYIUXHMJWLSJF-UHFFFAOYSA-N 337.383 1.840 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc2c(c1)OCO2 415064 BHFVXXPFOMBTGB-UHFFFAOYSA-N 337.339 1.385 0 40 EDAB COc1ccc(CC(=O)NCC(C)(C)N2CCOCC2)cc1OC 33026734 XKIODRNJODJJIG-UHFFFAOYSA-N 336.432 1.473 0 40 EDAB O=C(c1cc(F)c(F)c(F)c1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 102978946 NULAIDFHDJRBHF-SNVBAGLBSA-N 333.331 1.896 0 40 EDAB CN1N=C(C(=O)N2CCC[C@H]2c2nnc3ccccn23)CCC1=O 33233104 HCCYNRFMDXKXMN-LBPRGKRZSA-N 326.360 1.001 0 40 EDAB O=C1NC(=O)C(C(=O)CSCc2ccc(Cl)cc2)C(=O)N1 103483265 BUAPOGFAPBYNCP-UHFFFAOYSA-N 326.761 1.125 0 40 EDAB C[C@H]1CN(CCNS(=O)(=O)c2cc(F)cc(F)c2)C[C@H](C)O1 41892508 QULHSLHUUKBDDK-QWRGUYRKSA-N 334.388 1.352 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccccc1-n1ccnn1 97047225 UVCTUUWOIXIFAX-NSHDSACASA-N 325.328 1.617 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(CC(=O)Nc3cccnc3)CCO2)n1 78879666 BWJRHSVZDFYQFI-CYBMUJFWSA-N 330.392 1.335 0 40 EDAB CSc1cccc(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)c1 79025462 NKZLDPYUSXQRQP-UHFFFAOYSA-N 336.461 1.822 0 40 EDAB COc1cc(NC(=O)CCN(CCO)CCO)c2nccc(C)c2c1 1664026 LQJJPHLPMIJTIS-UHFFFAOYSA-N 347.415 1.167 0 40 EDAB COC(=O)[C@@H]1[C@@H]2C(=O)N([C@@H](C)c3ccc(OC)cc3)C[C@]23C=C[C@H]1O3 4124779 NNCKSAGIHJUGAY-ZEBSMLTISA-N 343.379 1.711 0 40 EDAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)c1 6023996 VYEWFKUWLBYVLW-UHFFFAOYSA-N 334.397 1.968 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(C)C)cc1Cl 6762266 DPQADYOUGQKSPO-JTQLQIEISA-N 348.852 1.788 0 40 EDAB Cc1nc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)sc1C 105924404 NOUDIPPEXPGAPJ-YRRQLQLVSA-N 331.397 1.506 0 40 EDAB CN(C)C(=O)Oc1c(-n2cncn2)cnn1-c1cccc(Cl)n1 1394721 ULQXVEOZFBIHAU-UHFFFAOYSA-N 333.739 1.562 0 40 EDAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc(-n2cnnn2)c1 106515525 SIONNRZICYQZQH-KGLIPLIRSA-N 328.420 1.513 0 40 EDAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1F 25322902 NVFWOZQWTVEQNZ-GXFFZTMASA-N 344.408 1.436 0 40 EDAB COCc1ccccc1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O 25794733 JVMRLXMXDGXRIE-OAHLLOKOSA-N 340.445 1.263 0 40 EDAB CCS(=O)(=O)N1CC[C@@]2(C[C@@H](N(C)Cc3ccccn3)CO2)C1 107226841 RBWUJCUZGCXSSQ-HZPDHXFCSA-N 339.461 1.097 0 40 EDAB C[C@@H](C(=O)NC(=O)NC1CCCC1)N1CCN(c2ccccc2)CC1 57617187 IXJSCLBOIIQLEC-HNNXBMFYSA-N 344.459 1.966 0 40 EDAB CC[C@H](COC)NC(=O)CNC(=O)NCc1ccc(Cl)cc1 72291761 RPHZJPMZQWQUCE-CYBMUJFWSA-N 327.812 1.680 0 40 EDAB CCC(=O)N1CCc2cc(C(=O)N[C@H]3CCc4nccn4C3)ccc21 58158255 VURMVUKLDCWRQR-HNNXBMFYSA-N 338.411 1.927 0 40 EDAB COc1ccc(C)cc1C1(CN[C@H](C)C(=O)NC(N)=O)CCOCC1 58171558 UGWFTLRSUKDNJT-CYBMUJFWSA-N 349.431 1.225 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)Cn1nc(C)c2ccccc2c1=O 48273386 NNKNZNPMDGHIHN-AWEZNQCLSA-N 329.400 1.590 0 40 EDAB CCOC(=O)c1nc(CN2CCN(c3ncccn3)CC2)cs1 48260775 DVICXYAJPBZPFO-UHFFFAOYSA-N 333.417 1.432 0 40 EDAB COCCOc1c(Cl)cccc1NS(=O)(=O)c1cn[nH]c1 58243960 VVFHOFKYRSEBAM-UHFFFAOYSA-N 331.781 1.889 0 40 EDAB Cn1cnc(S(=O)(=O)Oc2ccc3c(c2)CCC(=O)N3)c1Cl 27968787 OKOBVMHYIDFOGV-UHFFFAOYSA-N 341.776 1.726 0 40 EDAB CCNC(=O)NC(=O)CN(Cc1ccc(OC)cc1OC)C1CC1 27589878 WIGVUDBLSPFDKV-UHFFFAOYSA-N 335.404 1.514 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1N1CCOCC1 84736116 XPYHDYCUKQAGII-CZUORRHYSA-N 330.432 1.537 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)C1 45824277 XOHZQCMXBYQSAF-HDMKZQKVSA-N 348.443 1.688 0 40 EDAB CCNC(=O)CN1CCN(Cc2ccc(F)c3cccnc23)CC1 29719172 NVYNZJPCJXWGRO-UHFFFAOYSA-N 330.407 1.628 0 40 EDAB CCC[C@@H](O)CNC(=O)Nc1ccccc1CN1C(=O)CCC1=O 72289438 QELMZGRMJOOVBG-CYBMUJFWSA-N 333.388 1.618 0 40 EDAB Cn1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 12981136 UAVRVMUWWNCZOX-NSHDSACASA-N 342.355 1.183 0 40 EDAB Cc1cc(=O)n2nc(Cn3cnc4ccccc4c3=O)sc2n1 12921019 HEFUDRQXFZKCTE-UHFFFAOYSA-N 325.353 1.218 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)CSc1ccccc1C(=O)O 12931028 MRGGMDCJVSZQQP-UHFFFAOYSA-N 338.429 1.850 0 40 EDAB NC(=O)C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2Cl)C1 97147087 JVCJSHPVWUIHPM-SECBINFHSA-N 334.800 1.755 0 40 EDAB O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1C=CS(=O)(=O)C1 13718517 MFAXOPOAUZVVIG-GFCCVEGCSA-N 334.422 1.780 0 40 EDAB COC[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 65423169 KAYGGBACDWHAEL-OCCSQVGLSA-N 325.409 1.295 0 40 EDAB O=C(Nn1cnc2ccccc2c1=O)c1cnn(-c2ccccc2)c1 14013674 RPHITZRJRQMZKR-UHFFFAOYSA-N 331.335 1.966 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 65610001 ITIPMMLICYIVRV-DZGCQCFKSA-N 340.489 1.963 0 40 EDAB O=C(COC(=O)c1cc2ccccc2[nH]1)NC(=O)NCc1ccco1 5530908 WYZUGJRORZVVGS-UHFFFAOYSA-N 341.323 1.944 0 40 EDAB Cc1ccc(C(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)s1 14807683 ZUEOSXRYPAZBBJ-UHFFFAOYSA-N 345.442 1.454 0 40 EDAB CCc1ccc(N2C[C@@H](C(=O)N[C@H]3CCSC3=O)CC2=O)cc1 9426627 WELPTIJBPBTBAF-JSGCOSHPSA-N 332.425 1.750 0 40 EDAB COc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1NC(C)=O 7308120 FYWLMVAIEJRIPC-QWRGUYRKSA-N 342.417 1.452 0 40 EDAB COC(=O)C1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 9576354 MPCSBMUYDDRABA-AWEZNQCLSA-N 332.404 1.105 0 40 EDAB CC1(C)CN(C(=O)c2nc(N3CCOCC3)ncc2Cl)CCO1 71800100 XWEWMPGJDLICGY-UHFFFAOYSA-N 340.811 1.218 0 40 EDAB NC(=O)CN1CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 71829388 TUJRWWSOCIWEKE-UHFFFAOYSA-N 327.787 1.041 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)NCc3nc[nH]n3)cc2F)C[C@H](C)O1 69349153 LWWZAKOMVFHDOB-QWRGUYRKSA-N 348.382 1.879 0 40 EDAB CNc1cc2c(nn1)CCN(C(=O)c1cccc3c1OCCO3)C2 71860169 NAGRNRKLCFUJKT-UHFFFAOYSA-N 326.356 1.488 0 40 EDAB Cn1c(=O)c2c(nc(Cl)n2Cc2noc3c2CCCC3)n(C)c1=O 71888708 IWISZGFTBFUEEF-UHFFFAOYSA-N 349.778 1.002 0 40 EDAB CC(C)COc1ccc(NC(=O)CN2CC(=O)NC2=O)cc1Cl 71893266 HNIIMBSZUGLADF-UHFFFAOYSA-N 339.779 1.865 0 40 EDAB O=C(O)[C@H]1CCC(=O)N(CCCn2cccn2)[C@H]1c1cscn1 69557582 LNZASBMVCCHRKZ-SMDDNHRTSA-N 334.401 1.794 0 40 EDAB C[C@@H](c1ccc(F)cc1F)N1CCN(CCC(=O)NC(N)=O)CC1 69557897 VQCMWYQIVFLKRE-NSHDSACASA-N 340.374 1.228 0 40 EDAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CNC(=O)C1CC1 69519582 OSHOORMLMGAXCT-UHFFFAOYSA-N 348.353 1.983 0 40 EDAB Cc1[nH]ncc1C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 69559315 BBIBYHWLDUSZEM-UHFFFAOYSA-N 347.463 1.171 0 40 EDAB Cc1nc(CNC(=O)NCc2cn(-c3ccccc3)nn2)oc1C 95410104 ZMIKPFQLUXTOLU-UHFFFAOYSA-N 326.360 1.872 0 40 EDAB Cc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)N1CCc3ccccc31)CC2 69661254 XMJRQQGTFRZABQ-DOMZBBRYSA-N 325.416 1.469 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cn(-c3ccccc3Cl)nn2)CC1 69875137 PNUCUEKBCGOWRA-LBPRGKRZSA-N 349.822 1.059 0 40 EDAB O[C@H](CN1CCN(c2ccc3nncn3n2)CC1)c1ccc(F)cc1 69814744 NRFYXGJLTQNVBN-OAHLLOKOSA-N 342.378 1.119 0 40 EDAB CNC(=O)c1cc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)ccc1F 69813027 VDMPTEGIERXOPY-SECBINFHSA-N 338.383 1.610 0 40 EDAB CCN1CCC(NC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)CC1 69949026 PKLPJBCNTUYCDH-HNNXBMFYSA-N 334.468 1.705 0 40 EDAB COc1cccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c1 8995149 OIZIEFHCNQHQKB-UHFFFAOYSA-N 325.324 1.337 0 40 EDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1cccc(OC)c1 8992357 IWPJILGLKDWAEN-KGLIPLIRSA-N 340.470 1.786 0 40 EDAB Cc1noc(C)c1C(=O)OCC(=O)c1ccc(S(C)(=O)=O)cc1 21114311 RWAMRFYAZMDCCV-UHFFFAOYSA-N 337.353 1.735 0 40 EDAB Cc1cnc(CN(C)[C@@H]2CCN(Cc3nnc(C4CC4)n3C)C2)o1 95402342 USKYJQBKGGMFGL-CQSZACIVSA-N 330.436 1.695 0 40 EDAB Cc1ccc([C@@H]2CSCCN2C(=O)c2nc(O)[nH]c(=O)c2N)cc1 73764489 RLXBOURRMOICNS-NSHDSACASA-N 346.412 1.296 0 40 EDAB Cc1cc(C)cc(-n2nc(C(=O)N[C@H]3CCN(C(N)=O)C3)cc2C)c1 95992069 IVHWZCXUALYKQY-AWEZNQCLSA-N 341.415 1.680 0 40 EDAB Cc1ccc(C)c(-n2cnc(=O)n2CC(=O)N(C)Cc2ccco2)c1 89626510 FOTXVTNWDVSCKD-UHFFFAOYSA-N 340.383 1.902 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)nc1 89652294 KXXMPYQADFKUES-HNNXBMFYSA-N 325.368 1.756 0 40 EDAB COc1ccc(CNC(=O)N2CCC[C@@H](Cc3nccn3C)C2)cn1 89761396 DHBYIXCQGLLFLB-AWEZNQCLSA-N 343.431 1.988 0 40 EDAB NC(=O)C[C@H](NC(=O)c1c(F)c(F)cc(F)c1F)C1CCOCC1 89761999 APIPXLKUIURIJM-JTQLQIEISA-N 348.296 1.643 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@H]1CCN(C[C@@H]2CCCCO2)C1 89930374 HNUDPMFWMPTRRK-HOTGVXAUSA-N 348.447 1.939 0 40 EDAB CC(=O)N1CCN(C(=O)NCc2ccc(OC3CCCC3)nc2)CC1 89954502 KNKSOJQOYYJPNB-UHFFFAOYSA-N 346.431 1.777 0 40 EDAB CCC(=O)N1CC[C@H](N[C@@H]2CCN(CC(F)(F)F)C2=O)[C@H](C)C1 76056239 FMHBCRHXFUJRES-GRYCIOLGSA-N 335.370 1.386 0 40 EDAB CC(C)n1nc2c(cc1=O)CN(CC(=O)N[C@@H](C)c1ccco1)CC2 76064984 PRWDGFFXRNKWPE-ZDUSSCGKSA-N 344.415 1.653 0 40 EDAB CO[C@@](C)(C(=O)N1CCO[C@H](c2nc(C)n[nH]2)C1)c1ccccc1 76045410 XRPIQOZXVSXNJQ-WMLDXEAASA-N 330.388 1.575 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NCCOC)c1 408603557 KTMDERDAHOZFTO-LBPRGKRZSA-N 328.434 1.448 0 40 EDAB Cn1cncc1[C@@H]1C[C@@H](NC(=O)c2cccc3c[nH]nc23)CCO1 548341996 NVWCBJYYUJBNFR-WFASDCNBSA-N 325.372 1.947 0 40 EDAB COc1cccc(-c2noc(CCC(=O)N3CCN(C)CC3)n2)c1 33475264 SVZFOXVUKGTGDB-UHFFFAOYSA-N 330.388 1.452 0 40 EDAB CCCC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 2022181 QCOXYZFUHMUEIC-DDNRWTCHSA-N 330.377 1.726 0 40 EDAB biogenic CCC(C)(C)NC(=O)C[S@@](=O)Cc1nc(-c2ccco2)no1 78556220 DLCHSNFRCYXSHI-QFIPXVFZSA-N 325.390 1.883 0 40 EDAB O=C(Nc1ccncc1)c1ccc(S(=O)(=O)NCc2ccco2)o1 35597475 AGADBNYENXWZAP-UHFFFAOYSA-N 347.352 1.998 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1C[C@H](O)COc1ccccc1 69738487 WVIIFAKUTQYZIQ-QXAKKESOSA-N 332.444 1.902 0 40 EDAB COCCCNC(=O)[C@@H](C)[S@@](=O)Cc1cc(F)ccc1OC 79324414 GEPSIYPUJBMWNJ-RKFFSXRUSA-N 331.409 1.624 0 40 EDAB CCc1ccccc1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)O 567044108 CHOTWQMLJZNNKZ-WCQYABFASA-N 327.402 1.407 0 40 EDAB Cc1nc(CN(Cc2ccccc2)S(C)(=O)=O)ncc1C(=O)O 49468444 HPHUROKHKZPPPA-UHFFFAOYSA-N 335.385 1.445 0 40 EDAB O=S(=O)(NC[C@@]1(O)CCOc2ccccc21)c1ccccc1F 75158158 LJHWIBWMAGRTOU-INIZCTEOSA-N 337.372 1.774 0 40 EDAB O=C(NCCN1C(=O)CCCC1=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 528677449 BHZJFGJRRNICTL-HUUCEWRRSA-N 332.375 1.975 0 40 EDAB O=C(COc1ccccc1)NCc1ccnc(N2CCOCC2)n1 224216971 SSGMHZJZTBABSG-UHFFFAOYSA-N 328.372 1.008 0 40 EDAB COc1ccccc1CN1CCC(C(=O)N2CCN(C)CC2)CC1 199431150 IMEZTUARNSUGKL-UHFFFAOYSA-N 331.460 1.681 0 40 EDAB C[C@]1(c2cccc(NC(=O)/C=C/c3ccco3)c2)NC(=O)NC1=O 40538622 IWCUDUPERHKTHM-IWAYRVGRSA-N 325.324 1.986 0 40 EDAB C[C@H](CN=c1c(C(=O)O)c[nH]c2ccccc12)N1CCN(C)CC1 574042712 AVMUEFCEFKEQEZ-CYBMUJFWSA-N 328.416 1.403 0 40 EDAB COCCNc1ccnc([C@@H]2COCCN2C(=O)Cc2ccco2)n1 96216245 MYKNFIWUEQLMGL-AWEZNQCLSA-N 346.387 1.271 0 40 EDAB CC(C)c1cc(C(=O)NCc2cccnc2)nc(N2CCOCC2)n1 96100974 CRGPUJBYCDGUBD-UHFFFAOYSA-N 341.415 1.762 0 40 EDAB CC(C)N1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3nccn3C)CC[C@@H]21 96185689 ZEQVKQWTUREKMH-SQNIBIBYSA-N 342.491 1.990 0 40 EDAB CCS(=O)(=O)N1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 96048291 OKUWTSOFSQATDM-LSDHHAIUSA-N 326.418 1.434 0 40 EDAB COCCC(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159736 YWQIISISOMKNIZ-SFHVURJKSA-N 334.391 1.813 0 40 EDAB O=C(c1cccnc1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96072476 DOLQESMNHLQZQM-WMZOPIPTSA-N 325.368 1.929 0 40 EDAB CCOCc1cncc2c1CCN(S(=O)(=O)c1cn(C)cn1)C2 96189312 HWMKQZXQOLKPOC-UHFFFAOYSA-N 336.417 1.099 0 40 EDAB COCc1nn2c(c1-c1ccccc1)NC(=O)[C@H](CC(=O)OC)C2 96194539 KXGHHOWWEYQMQA-GFCCVEGCSA-N 329.356 1.828 0 40 EDAB COc1cccc(C2(NC(=O)NCc3nnc4n3CCC4)CC2)c1 95412148 UYKZBUQWFHXXRN-UHFFFAOYSA-N 327.388 1.721 0 40 EDAB Cn1cc(CNC[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)cn1 96061040 WJMQPBBOCDZMKW-CYBMUJFWSA-N 330.417 1.429 0 40 EDAB Cc1nnc(CC(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)o1 330144355 RRIFLIXXOFTZCW-UHFFFAOYSA-N 346.362 1.434 0 40 EDAB COC[C@]1(C(=O)O)CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)C1 1593963739 MLKLCUXYIVBDMB-LBPRGKRZSA-N 335.282 1.002 0 40 EDAB COc1cccc(C(=O)N2CC[C@@H]3CN(C)S(=O)(=O)[C@@H]3CC2)c1 96145571 UCBQDCXLIPYMON-UKRRQHHQSA-N 338.429 1.191 0 40 EDAB CN(C)CCn1ccc(NC(=O)N2CCN(c3ccccc3)CC2)n1 96435364 SDDCEYDFJQQSNO-UHFFFAOYSA-N 342.447 1.799 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](CO)Cc2cnn(C)c2)c1 585088029 HMTYTCCHBPERLQ-CJNGLKHVSA-N 345.399 1.110 0 40 EDAB Cc1ccc(CN2CCC3(CC2)OCC(=O)N(CCN(C)C)[C@@H]3C)o1 96201529 OMERJBIKIJOLHP-MRXNPFEDSA-N 349.475 1.732 0 40 EDAB c1cncc(CN2CCOC[C@@]3(CC[C@H](CN4CCCC4)O3)C2)c1 96052344 FZTUUTIRZIHIFQ-RTBURBONSA-N 331.460 1.927 0 40 EDAB CS(=O)(=O)NCC[C@@H]1CN(Cc2cccs2)Cc2cncn21 247538618 RJYIQDNLXFVRRV-GFCCVEGCSA-N 340.474 1.441 0 40 EDAB CCOC(=O)c1nc2ccccn2c1NC(=O)COC[C@H]1CCCO1 585125248 LGWDDWIQIIFWCX-GFCCVEGCSA-N 347.371 1.645 0 40 EDAB Cc1c(Br)cncc1C(=O)NCC[C@@]1(O)CCCOC1 585112935 JHHKKASRUANANR-AWEZNQCLSA-N 343.221 1.814 0 40 EDAB O=C(OCCN1CCOC1=O)c1cccn(Cc2ccccc2)c1=O 64283800 DAGRFKDTUKBTFK-UHFFFAOYSA-N 342.351 1.506 0 40 EDAB Cc1cnn(CC(=O)N2CCO[C@@H](CCc3cc(C)ncn3)C2)c1 257300591 RUXQXHPFXFBXRN-INIZCTEOSA-N 329.404 1.150 0 40 EDAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(CC(N)=O)C[C@@H]3C[C@H]21 257341068 ZISLODXCEOXXER-IYDIDCQVSA-N 346.427 1.817 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)CCc2c(C)noc2C)CCO1 257209184 BPHVUDRDGHVHNR-CQSZACIVSA-N 345.403 1.656 0 40 EDAB CNc1cccc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257220025 DJFKPBNUISTAGT-GFCCVEGCSA-N 339.442 1.947 0 40 EDAB C[C@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCCC12CCOCC2 252494504 NXNYKBMWGZDGFY-CHWSQXEVSA-N 332.466 1.458 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)Cn2c(C)nc3ccccc32)n1 257224984 FEGYSVFRPRJKLM-MRXNPFEDSA-N 339.399 1.976 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc3nc(C)cc(C)n3n2)n1 257295700 QZMRXRBYMNODDG-CQSZACIVSA-N 340.387 1.591 0 40 EDAB O=C(c1ccsc1)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 257209202 BPJNQPARKOBCRZ-IAGOWNOFSA-N 328.437 1.992 0 40 EDAB CC(C)c1nn(C)cc1NS(=O)(=O)c1cnn(CC(F)F)c1 252490322 KPLBPAISBYSBJF-UHFFFAOYSA-N 333.364 1.806 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C3CC3)CC2)cc1 85467104 UFCUFHMXSAFMKA-QGZVFWFLSA-N 338.473 1.326 0 40 EDAB O=C(NCC1(OCCO)CCOCC1)N[C@@H]1C[C@H]1c1ccccc1 252490067 KIFNUQUFADUBTH-JKSUJKDBSA-N 334.416 1.400 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(Cc3cncnc3)CCN2C)c1 257304719 SMVYPLQJSIKTNN-KRWDZBQOSA-N 325.416 1.325 0 40 EDAB Cc1noc(C)c1C(=O)N(C)C[C@@]1(O)CCN(c2ccccn2)C1 257250150 JLFZJWVZIGBZQL-KRWDZBQOSA-N 330.388 1.400 0 40 EDAB Cc1cc(C(=O)N(C)C[C@]2(O)CCCN(c3ccc(F)cn3)C2)no1 257319330 VRXOLNFBKFSFEI-QGZVFWFLSA-N 348.378 1.621 0 40 EDAB CN(C(=O)CCCN1CCCC1=O)[C@H]1CCCN(c2ccccn2)C1 257249194 JHFWSDQLYWAKCU-INIZCTEOSA-N 344.459 1.911 0 40 EDAB Cc1cnn(CC(=O)N2CCC3(CC(Nc4ccncn4)C3)C2)c1 257287399 PPUOSKMSNNFIOC-UHFFFAOYSA-N 326.404 1.475 0 40 EDAB COc1ccccc1N(CC(=O)O)S(=O)(=O)N1CCC(C)CC1 547910066 UUNZFTDGCUWTTR-UHFFFAOYSA-N 342.417 1.563 0 40 EDAB CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)c1ncccc1C 279309596 ABLWEMUVVYHCRG-AWEZNQCLSA-N 339.461 1.947 0 40 EDAB CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@H]2CCC[C@H]2CO)cc1 1614578303 AFNLPVLTZNPQEG-HOCLYGCPSA-N 332.444 1.991 0 40 EDAB N[C@H]1CC12CCC(NC(=O)c1ncc(Br)cn1)CC2 1615587822 LMTFHLVWZFNHRR-QUNCOHTASA-N 325.210 1.629 0 40 EDAB N[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc(Br)cn1 1615554570 LWZTULAOVLHYAY-TZMCWYRMSA-N 335.205 1.387 0 40 EDAB O=C(N[C@@H]1C[C@]2(CCNC2)Oc2ccccc21)c1ccnc(O)c1 1615552402 DPNAEOSDSGWBSK-KDOFPFPSSA-N 325.368 1.773 0 40 EDAB Cn1c(CS(C)(=O)=O)nnc1N1CCC[C@](C)(c2ccccc2)C1 1615587750 QYXFQIXQFCDGBC-KRWDZBQOSA-N 348.472 1.918 0 40 EDAB Cc1cc(C)n([C@H](CNC(=O)N2CCNC2=O)c2ccsc2)n1 575614369 QXGVGNOGSWMUQJ-CYBMUJFWSA-N 333.417 1.886 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccccc1F)C2 585103433 PAYBJJIGFBVYSR-AWEZNQCLSA-N 327.421 1.851 0 40 EDAB O=C1C[C@@]2(COCCN(c3cnccn3)C2)CN1Cc1ccccc1 585103748 FWSPLNFLRGDGIF-IBGZPJMESA-N 338.411 1.732 0 40 EDAB COCc1nnc2n1CCN(S(=O)(=O)c1cccc(C)c1)[C@@H]2C 585096903 CBNBTTJJSJMJQP-GFCCVEGCSA-N 336.417 1.498 0 40 EDAB COCCN1CC[C@@]2(CN(Cc3cnn(C)c3)CC(F)(F)C2)C1=O 585093170 GYGWPINIHZONLB-OAHLLOKOSA-N 342.390 1.126 0 40 EDAB Cc1nc2ccccc2n1CC(=O)N1CCN(CC(C)(C)O)CC1 69927870 MZEIGYSGGPCTQZ-UHFFFAOYSA-N 330.432 1.260 0 40 EDAB CCO[C@@H](C)C(=O)NS(=O)(=O)c1ccc2c(c1)OCCCO2 69574074 XFSYGXBATJQWCD-JTQLQIEISA-N 329.374 1.078 0 40 EDAB O[C@H]1[C@H](NCc2ccccc2)[C@H]2CO[C@H](O2)[C@@H]1n1cc(Cl)cn1 952844917 STOOUGSLXAJZTB-DGXTUMSLSA-N 335.791 1.352 0 40 EDAB biogenic,in-vitro COc1ccc2nc(C)c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2c1 54117044 JWSSSXDMBGFDFO-CYBMUJFWSA-N 348.424 1.811 0 40 EDAB CC(C)c1nnc(SCCC(=O)NC(N)=O)n1Cc1ccco1 54369775 KBTZSKUTYIJIAS-UHFFFAOYSA-N 337.405 1.720 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 78966542 BFAUSACGBFMEPL-UONOGXRCSA-N 344.864 1.984 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCCCNC1=O 40521601 LJESTSGRNSLYGS-ZDUSSCGKSA-N 328.372 1.279 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(Oc2ccc(C)nn2)CC1 96119435 GTOBMKXPXBGNFF-UHFFFAOYSA-N 331.376 1.211 0 40 EDAB Cc1c(CCC(=O)N(C)CC(=O)N(C)C)c(=O)oc2cc(O)ccc12 12893628 LEZUINUDRORWNN-UHFFFAOYSA-N 346.383 1.286 0 40 EDAB biogenic OCc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccncc3)no2)o1 15674440 GNMACXNVNWSTHY-DOMZBBRYSA-N 342.355 1.525 0 40 EDAB biogenic,in-vitro CN(CCN1CCCCC1)C(=O)Cn1ncc2ccccc2c1=O 19656487 YCDZXXXNPBUCLN-UHFFFAOYSA-N 328.416 1.341 0 40 EDAB COC(=O)[C@@H]1CCCCC[C@@H]1N[C@@H]1CCN(CC(F)(F)F)C1=O 162599637 BHEXELCDDFAYDV-GRYCIOLGSA-N 336.354 1.861 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)[C@H]2C[C@H]2c2cccnc2)CC1 106775586 XXAZIIFSSXMRNB-IRXDYDNUSA-N 339.443 1.653 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)cc1 585089624 NZZWMKYAZUXFKM-HNNXBMFYSA-N 340.445 1.166 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 7137069 NGHOBNSJZOSXFQ-DOMZBBRYSA-N 329.400 1.775 0 40 EDAB Cc1noc(C)c1CC(=O)NCC1(OCCO)CCSCC1 828765497 XXNKSOMKNQFLPF-UHFFFAOYSA-N 328.434 1.225 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCc1ccccc1F 23643191 KGKSEOCLHABVGQ-UHFFFAOYSA-N 333.363 1.349 0 40 EDAB O=C(NCCN1CCOCC1)Nc1ccccc1Br 13746564 WLXFNFVTJKCCNS-UHFFFAOYSA-N 328.210 1.903 0 40 EDAB Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@@H]4CC4(C)C)C[C@@H]32)n1 2056224332 YLSHGLLHCDANMF-ULQDDVLXSA-N 329.444 1.848 0 40 EDAB C[C@]1(C(=O)N2C[C@H]3ON=C(C(=O)N4CCCC4)[C@H]3C2)CC=CCC1 1565545254 YNLHABIMCFELDN-IYOUNJFTSA-N 331.416 1.568 0 40 EDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(c2ncc(F)cn2)CC1 2055738626 DXTSXDYSUDGKBI-UHFFFAOYSA-N 347.369 1.952 0 40 EDAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)C(=O)Nc1ccon1 1775968959 PQJIEBXIVUZVRT-JTQLQIEISA-N 347.352 1.784 0 40 EDAB O=S(=O)(NCc1cn(-c2ccsc2)nn1)c1ccccc1F 575619572 WLISBKHCORURIU-UHFFFAOYSA-N 338.389 1.946 0 40 EDAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(Nc2cccnn2)C1 618256603 UXTBYGNUTUNLLK-LLVKDONJSA-N 342.355 1.296 0 40 EDAB COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(C(N)=O)[nH]n2)cn1 225557280 HEJHRSPNVFIJFW-CYBMUJFWSA-N 329.360 1.280 0 40 EDAB CC(C)CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cccnc1 40090033 NGEPDLBCDTWMBO-CYBMUJFWSA-N 327.450 1.643 0 40 EDAB CC(C)CCn1c(SCCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C 41579 QXCWGGHMZUIVRZ-UHFFFAOYSA-N 340.405 1.036 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCc1ccco1 31053812 VINHQWYWJFEWTI-NSHDSACASA-N 337.401 1.830 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)CCCOc2ccccc2Cl)CCO1 50842754 DJHTXCQZSIKQIT-ZDUSSCGKSA-N 326.780 1.212 0 40 EDAB O=C(C1CCN(Cc2nnnn2C2CC2)CC1)N1CCCCCC1 40540608 QTKMNJBNAOEQPC-UHFFFAOYSA-N 332.452 1.623 0 40 EDAB CCOc1ncccc1CNC(=O)c1cccc(S(N)(=O)=O)c1 40511837 NBBKLGGQSWQYBW-UHFFFAOYSA-N 335.385 1.058 0 40 EDAB CC(C)(C)NC1=NN/C(=c2\ccc3c(c2)CCCC(=O)N=3)CS1 102167048 ZBZUMQWJMIMNJB-WYMLVPIESA-N 330.457 1.273 0 40 EDAB NC(=O)CCSc1nnc(N2CCOCC2)n1Cc1ccccc1 21494383 YNAKRNWSGVXUIV-UHFFFAOYSA-N 347.444 1.131 0 40 EDAB OCCN1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 22030147 SANUBOPPIDSKJG-PKOBYXMFSA-N 334.460 1.051 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O 41841899 MDQULEJHPYHRFR-OWOQWNNFSA-N 347.459 1.184 0 40 EDAB C/C(Cl)=C\Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 12362122 HMAKMWSBOOMVRN-GQCTYLIASA-N 347.600 1.339 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N(CC1CC1)[C@H](C)c1ccccc1 71185878 DEVGAUSDXYFBIL-CYBMUJFWSA-N 331.416 1.239 0 40 EDAB CN(C)c1cc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)ccn1 47571139 UPYQXGAASCTKDV-AWEZNQCLSA-N 342.399 1.406 0 40 EDAB Cc1c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)oc2c1C(=O)CCC2 42340389 LBNPIOHINCDQIP-HNNXBMFYSA-N 325.386 1.414 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1 23041101 XTLSMZTYHKGTNQ-GOEBONIOSA-N 336.457 1.874 0 40 EDAB COc1cc(C(N)=O)cc(OC)c1OCc1cc(C(N)=O)oc1C 3132008 KCFKJLDCIFYYAP-UHFFFAOYSA-N 334.328 1.382 0 40 EDAB biogenic O=C1CN(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)C(=O)N1 84502077 HTULGSMLCVXCQL-IUCAKERBSA-N 327.262 1.392 0 40 EDAB CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCc2ccccc2)[C@@H]3C1=O 4124759 YYCUEGFWOZNMGC-YYAJDYIMSA-N 327.380 1.920 0 40 EDAB COc1ccccc1NCCC(=O)NCc1nnc2ccccn12 12543646 OEOXBBJGXSNRNX-UHFFFAOYSA-N 325.372 1.856 0 40 EDAB COCCNC(=O)[C@@H](OC(=O)c1ccco1)c1ccc(OC)cc1 4900671 IBPHKTXPYMZCGS-HNNXBMFYSA-N 333.340 1.949 0 40 EDAB COc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1OC 4905134 NWQLKYXVVVMRQI-LMHVJCSRSA-N 342.351 1.156 0 40 EDAB Cc1nc2sccn2c(=O)c1S(=O)(=O)NCc1cccs1 6859823 SPBMZRRWBLBFEC-UHFFFAOYSA-N 341.439 1.604 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(CNC(N)=O)cc1 24382668 XOJDVCGQBJDWAX-UHFFFAOYSA-N 341.367 1.856 0 40 EDAB Cc1ccc(OCC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1 24675269 MEFUSHWUPDTWJG-CQSZACIVSA-N 340.445 1.304 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 106137200 PMWFLIAWHOQBJC-ZTFGCOKTSA-N 329.444 1.949 0 40 EDAB COCCN(Cc1ccco1)C(=O)c1ccc(S(C)(=O)=O)cc1 25094703 PBSODJLSEVVTAP-UHFFFAOYSA-N 337.397 1.972 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccccc1-n1cncn1 25004039 CWHGRPUBQGPXHE-UHFFFAOYSA-N 347.338 1.011 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)N1CCO[C@@H]2CCCC[C@H]21 106784879 NWGRFPNJIDGPHG-BRWVUGGUSA-N 347.463 1.303 0 40 EDAB CN(CC(=O)N1CCc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1 34888547 ZHAFPJKKHZNXFA-UHFFFAOYSA-N 348.406 1.944 0 40 EDAB COc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1OC 1440305 BMJPLIOXKGHBJP-UHFFFAOYSA-N 328.372 1.456 0 40 EDAB C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)Cc1ccccc1 25418029 LJPNHLSWNVILTP-MRXNPFEDSA-N 339.443 1.646 0 40 EDAB Cc1nc([C@H]2CCCN2CC(=O)/N=c2\cc[nH]n2[C@H](C)C2CC2)no1 107486605 ODQNURFOEQAPFW-SCFVBUOKSA-N 344.419 1.743 0 40 EDAB C[C@H]1CN(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)CCO1 44271896 ALMIFSDKCXPZSP-QMMMGPOBSA-N 325.752 1.924 0 40 EDAB O=S(=O)(NCc1cn2cc(Cl)ccc2n1)N1CCCCC1 44790562 OHWWEWKAZQQJFK-UHFFFAOYSA-N 328.825 1.808 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@H](C)n1cncn1)O[C@H](C)C2 27582529 IXIUQTXGNHQXKP-NEPJUHHUSA-N 330.388 1.878 0 40 EDAB CCS(=O)(=O)NCCNC(=O)c1cnc(Cl)c(Cl)c1 58105561 BDGQFTNFAVUIDY-UHFFFAOYSA-N 326.205 1.058 0 40 EDAB COc1ccccc1[C@H](CNC(=O)Cn1cccn1)N1CCCC1 44896911 AXNALBQSGVITKI-INIZCTEOSA-N 328.416 1.845 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2nccs2)CC1 10269717 AKCKUUCWOJQOTN-UHFFFAOYSA-N 344.396 1.400 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N(C)C2CCCC2)ccc1OC 20108725 TTYLYMLNFSJCIE-UHFFFAOYSA-N 326.418 1.618 0 40 EDAB COc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 44953737 CBLGMBOPEKYPLY-SNVBAGLBSA-N 325.796 1.756 0 40 EDAB C[C@@H](C(=O)NCCc1nccn1Cc1ccccc1)S(C)(=O)=O 44951822 LJFTVZFOOOYEQS-ZDUSSCGKSA-N 335.429 1.023 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 44969661 MTOVVAZQFPMHIK-NWDGAFQWSA-N 333.358 1.455 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCC(c3ccnn3CCO)CC2)no1 58305272 PQKUSSSTZXEDOF-ZDUSSCGKSA-N 347.419 1.378 0 40 EDAB CCN(CC)[C@@H](C)CNC(=O)NCc1cccnc1N1CCOCC1 48276406 UJZGWGAUWGDJLR-HNNXBMFYSA-N 349.479 1.448 0 40 EDAB CN1CCO[C@H](CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1 58393919 ZFYMXTPZCQAKLV-GFCCVEGCSA-N 340.807 1.101 0 40 EDAB CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 58341223 PJFNRGGZAYCOTL-JKSUJKDBSA-N 349.862 1.724 0 40 EDAB O=C(NCCOc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 48235750 OWNNXTKAFNOBBG-UHFFFAOYSA-N 343.335 1.995 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc(OC(F)F)cc3)cnc21 3329521 BEEWMPDSRLNMNE-UHFFFAOYSA-N 349.297 1.370 0 40 EDAB O=C(N[C@H]1CCSc2ccc(F)cc21)N[C@@H]1CCS(=O)(=O)C1 48353535 GXLCDNKZNWWCSF-PWSUYJOCSA-N 344.433 1.849 0 40 EDAB O=C(NCc1ccc(-n2cccn2)cc1)N[C@@H]1CCCCNC1=O 45666661 LCJCVYZJKHXMLL-OAHLLOKOSA-N 327.388 1.340 0 40 EDAB COc1ccccc1N1CCN(C(=O)N[C@H]2CCCCNC2=O)CC1 45665747 SWEIKSJKAUQOLA-AWEZNQCLSA-N 346.431 1.196 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)c1ccccc1S(=O)(=O)CC 48363285 AFFRNYJXQYINAM-CYBMUJFWSA-N 325.430 1.979 0 40 EDAB COc1cc(CNC(=O)CCS(=O)(=O)C2CCCC2)ccc1O 48367356 FLELDRZKEZEFAR-UHFFFAOYSA-N 341.429 1.765 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N(C)C)c1 46034985 TVMNGZWRBMDNLZ-ZDUSSCGKSA-N 330.425 1.915 0 40 EDAB Cc1ccc2nc(Nc3nc(C)c(CCO)c(=O)[nH]3)nc(C)c2c1 20673200 DANOEJRJCXZZFY-UHFFFAOYSA-N 325.372 1.917 0 40 EDAB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)NC(N)=O)o2)c1 2649631 MSPULJJGSWYGIS-VIFPVBQESA-N 336.373 1.633 0 40 EDAB CC(C)CC[C@H](C)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 12953066 JSURWUXMSYJRHP-NSHDSACASA-N 334.463 1.437 0 40 EDAB O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1cccc(F)c1 38367361 CJFSKCSVJPJKCA-OAHLLOKOSA-N 335.379 1.087 0 40 EDAB Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 3885470 HLHUIDAFOLDZDE-UHFFFAOYSA-N 325.434 1.280 0 40 EDAB COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@@H](C(=O)OC)C(=O)C[C@@]1(C)O 3903506 SQJYBAIWOXUXJB-SZOQZIPDSA-N 338.331 1.212 0 40 EDAB CC(C)OCCCNC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 39983380 LAXGOLAOCGLFOI-OAHLLOKOSA-N 347.415 1.081 0 40 EDAB CCN1CCN(C(=O)NCc2ccccc2Cn2cncn2)CC1 65417445 ISCBYSDUKNXBCL-UHFFFAOYSA-N 328.420 1.174 0 40 EDAB CCc1ncncc1C(=O)NCCNc1ncnc2sccc12 65412684 WHBFSJKEELXMEP-UHFFFAOYSA-N 328.401 1.886 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)N[C@H]1CCc2nccn2C1 65474978 BVXOUNVMCXZKPS-ZDUSSCGKSA-N 337.383 1.114 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCC(=O)N3)no1 72299206 BTYIHDZRDFRXFB-GFCCVEGCSA-N 342.355 1.940 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@@H](O)c1ccc(F)cc1F)CC2 65531244 GUAAXGDWUPZWJD-MRXNPFEDSA-N 334.370 1.913 0 40 EDAB CCCCn1c(N)c(N(C)C(=O)Cc2ccc(C)cc2)c(=O)[nH]c1=O 14142180 DHPDDHYFPSPIFF-UHFFFAOYSA-N 344.415 1.433 0 40 EDAB COc1ccc(C(C)=O)cc1CC(=O)NCCc1nnc2n1CCC2 65621235 JKJWPCWOKZHXHV-UHFFFAOYSA-N 342.399 1.337 0 40 EDAB Cn1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cn1 65609234 BZDPWDWZJBRTKI-ZDUSSCGKSA-N 342.355 1.392 0 40 EDAB C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)[C@@H]1CCCO1 65610124 JYGJLRZQQVWFAG-CJNGLKHVSA-N 347.415 1.427 0 40 EDAB COc1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 6583444 JABJGZQLHHNWFD-UHFFFAOYSA-N 343.335 1.897 0 40 EDAB Cc1nnc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)s1 14715480 QZJOAXVSKJCABC-UHFFFAOYSA-N 335.414 1.873 0 40 EDAB CN(C)C(=O)c1cccc(CNC[C@H]2CCCN2c2cccnn2)c1 72276776 NNLAVIHUVVFKHF-QGZVFWFLSA-N 339.443 1.937 0 40 EDAB COC(=O)[C@H](c1cccnc1)N1CCC[C@H](Cc2nccn2C)C1 90003591 HWXWTRCYPDFJLX-PBHICJAKSA-N 328.416 1.984 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)NCCO)cc1)N1CCCCCC1 408581833 AQXGTYFKDZPPAK-UHFFFAOYSA-N 341.433 1.365 0 40 EDAB Cc1cc(N)nc(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)n1 7177394 OFZCJZOFECWYRA-JTQLQIEISA-N 343.412 1.833 0 40 EDAB Cc1cc(NC(=O)CSc2nnc(SCC(N)=O)s2)no1 9454740 HAONYGDRELSKTE-UHFFFAOYSA-N 345.431 1.143 0 40 EDAB Cn1c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc(Cl)c1Cl 72286852 HRVYVYDJZYPRJW-ZETCQYMHSA-N 340.232 1.096 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1csc(-c3ncccn3)n1)CC2 65474732 YHUOSPALGGHLFA-JTQLQIEISA-N 341.400 1.245 0 40 EDAB O=C(Nc1ccn(CC(F)F)n1)N1CCCN(C(=O)C2CC2)CC1 97166039 DXEZDYKOYIAUJU-UHFFFAOYSA-N 341.362 1.624 0 40 EDAB COC(=O)[C@](C)(NC(=O)C1CCOCC1)c1cc(F)ccc1F 96403811 JRYQIMMXRROWFK-MRXNPFEDSA-N 327.327 1.896 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(Nc2cccc(C)n2)CC1 70019681 SBLSKSFPKOJTKC-CYBMUJFWSA-N 333.436 1.501 0 40 EDAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCO[C@H](CN(C)C)C1 70003955 LNPRSTPYWDXNPQ-RHSMWYFYSA-N 337.439 1.608 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 69370413 ODYZPBQIQYREEZ-KBPBESRZSA-N 347.463 1.637 0 40 EDAB CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1 8327345 XXESPWNULXOZCF-JTQLQIEISA-N 349.387 1.815 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1cccn(Cc3ccccc3)c1=O)C2 69461777 XHUNPJHNOGNVKK-UHFFFAOYSA-N 349.394 1.453 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cncn1)N(Cc1ccccc1)C1CC1 69484850 FWQHWZYKFOTDSL-SFHVURJKSA-N 339.443 1.934 0 40 EDAB Cc1nc(CN2CCC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)no1 71870549 RDQQMGUCBDTZTG-AWEZNQCLSA-N 345.451 1.480 0 40 EDAB CNC(=O)COc1cccc(NC(=O)NCc2ncccc2C)c1 69668792 RABZZTCPVIRQPV-UHFFFAOYSA-N 328.372 1.837 0 40 EDAB O=C(NCC[S@](=O)Cc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 71896375 LNKQDEVFJMPCTP-XMMPIXPASA-N 343.408 1.535 0 40 EDAB COc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H]2CCCO2)n1 8528338 IVQXGNCGPABVCN-LBPRGKRZSA-N 345.359 1.428 0 40 EDAB C[C@@H]1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC(C)(C)O1 71897939 OVWLTAXXHMQMEN-GFCCVEGCSA-N 342.399 1.611 0 40 EDAB CSc1cc2c(cc1NC(=O)NCC(=O)N(C)C)OCCO2 69741341 DGDOWNONMCWJQV-UHFFFAOYSA-N 325.390 1.389 0 40 EDAB Cc1nc([C@@H](NC(=O)CNC(=O)c2ccccc2)c2ccccc2)n[nH]1 69700904 ASGKPBIOHRCLBJ-KRWDZBQOSA-N 349.394 1.749 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)CCc2cnn(C)c2)CC1 69738035 DGQCDHCNXVARRX-UHFFFAOYSA-N 344.463 1.304 0 40 EDAB O=C(C[S@@](=O)Cc1ccccc1)N1CCN(C(=O)C2CC2)CC1 69844240 NRTAGPODBAAISD-HSZRJFAPSA-N 334.441 1.016 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@H]3Cc4ccccc4S3)CCO2)n1 83829848 AWQUFDJYNIIHEO-TZMCWYRMSA-N 344.440 1.984 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N[C@@H]1CCOc3ccccc31)CC2 69948528 LOLLBTUFPDVLQR-UKRRQHHQSA-N 341.415 1.131 0 40 EDAB CC[C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@@H]1N1CCOCC1 84735899 LQRFRBOZVTZNMU-WBVHZDCISA-N 334.464 1.576 0 40 EDAB CCNC(=O)Cn1ccc(NC(=O)N[C@@H]2CCc3ccccc32)n1 95403992 PYAWITTZTUIBOR-CQSZACIVSA-N 327.388 1.828 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)NC[C@](C)(O)c1cnn(C)c1 95433197 RFWWZLDFAFIEJI-AWEZNQCLSA-N 343.836 1.568 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1CC(N)=O 95999844 QDQDOPBHEBZVQV-INIZCTEOSA-N 328.416 1.407 0 40 EDAB C[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1nc2ccccc2n1C 95985173 CNTSTYNEJRBGGE-HEHGZKQESA-N 330.432 1.860 0 40 EDAB CN(C)S(=O)(=O)N(CCCO)c1ccccc1Br 95988715 OKNGGYDTNKAWAR-UHFFFAOYSA-N 337.239 1.444 0 40 EDAB CCc1n[nH]c([C@H]2CN(CC(=O)Nc3nc(C)cs3)CCO2)n1 89289827 QLKWPVOPUCWTPG-SNVBAGLBSA-N 336.421 1.144 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2ccnn2)o1 89406842 CJVJWWOLDLXXPV-UHFFFAOYSA-N 348.340 1.448 0 40 EDAB O=S(=O)(Cc1ccccc1CNCc1cc[nH]c1)N1CCOCC1 86250895 ZNLQYDWBSQVBTJ-UHFFFAOYSA-N 349.456 1.467 0 40 EDAB Cc1cc(CN2Cc3ncn(C)c3[C@@H](C(=O)NC3CCC3)C2)n(C)n1 306143323 XYXLQIDVDDHBJK-HNNXBMFYSA-N 342.447 1.230 0 40 EDAB Cn1cc(CCC(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)cn1 89905171 NPTRJSMMHZQFOK-MRXNPFEDSA-N 334.807 1.523 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C12CCC2 89985886 VRYQZEVFGKDFKP-KBPBESRZSA-N 327.388 1.740 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)n1 76045810 WCPIFKSHCCGLQH-CQSZACIVSA-N 348.378 1.875 0 40 EDAB CCc1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)sc1C 76092331 SNZGQHBWMXDRPU-INIZCTEOSA-N 326.462 1.432 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)c1cc(=O)[nH]c2ccccc12 20763072 XMBLADIKLYAXSU-ZDUSSCGKSA-N 334.397 1.553 0 40 EDAB biogenic CCn1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c2ccccc21 408548599 JJMACAVXUDYTCI-MDWZMJQESA-N 327.340 1.727 0 40 EDAB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1C 409000727 FOVSZQSOGIQPHE-JHJVBQTASA-N 327.425 1.308 0 40 EDAB COCCNc1ncc2c(n1)[C@H]1CN(c3ncc(C)cn3)C[C@H]1C2 306128005 GNPSFTVVCAKTTH-KGLIPLIRSA-N 326.404 1.409 0 40 EDAB Cc1cc(C)c(N2CC[C@@H](NC(=O)c3cnsn3)C2=O)c(C)c1 189930517 TTWLJIDEYIHKAL-GFCCVEGCSA-N 330.413 1.999 0 40 EDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](CC(=O)O)c1cccc(Cl)c1 519598935 BBHAZHDEZWOWLX-XDTLVQLUSA-N 347.820 1.953 0 40 EDAB COC(=O)c1cc(N2C(=O)c3ccccc3C2=O)cc(C(=O)OC)n1 3843357 PFLVXNPYVFUTTH-UHFFFAOYSA-N 340.291 1.455 0 40 EDAB biogenic COC[C@]1(CN)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218193647 KDGARTSPQVYESW-AVGNSLFASA-N 348.262 1.551 0 40 EDAB COc1cccc(CNC(=O)CN2CC[C@@H](c3n[nH]c(C)n3)C2)c1 560718269 UGGJBYYUGLNJJI-CQSZACIVSA-N 329.404 1.227 0 40 EDAB O=C(NCCc1ccc(F)cc1F)N1CCN(c2cnccn2)CC1 78995101 ASEXJGJULQIXQQ-UHFFFAOYSA-N 347.369 1.829 0 40 EDAB Cc1nnc(-c2cccc(C(=O)NC[C@H](C)N3CCOC[C@@H]3C)c2)o1 74369704 HGBBTRODMQLHLW-STQMWFEESA-N 344.415 1.884 0 40 EDAB CC[C@H]1CN(CC(=O)N(C)c2nccs2)CCN1CCOC 69842205 BPQBFBWSUMBIRH-ZDUSSCGKSA-N 326.466 1.149 0 40 EDAB O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)c1ccco1 75165290 DYQFMZIAKKETDJ-UHFFFAOYSA-N 338.367 1.934 0 40 EDAB Cn1cc(C(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)nn1 75165265 XVELDCGCPPWPFS-UHFFFAOYSA-N 344.400 1.946 0 40 EDAB CC(C)CN1CCC(C(=O)NCCNC(=O)OC(C)(C)C)CC1 63661499 AWBZOJLSRFBPGI-UHFFFAOYSA-N 327.469 1.995 0 40 EDAB Cc1csc(NC(=O)CN2CCC([C@@H](O)c3nccn3C)CC2)n1 89925126 UXCPRKMNVVMCAF-CQSZACIVSA-N 349.460 1.569 0 40 EDAB CC(C)CN1CC2(CN(Cc3cccnc3)C[C@@H]3C[C@@H](O)CN32)C1 514289462 LKPOSCOSDYEXHG-ZWKOTPCHSA-N 330.476 1.043 0 40 EDAB biogenic,in-vitro CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Br)cc1C 42646379 HXJADFZNCJKUPT-SNVBAGLBSA-N 329.194 1.583 0 40 EDAB Cc1ccc(NC(=O)N(C)C[C@@H](O)CN2CCN(C)CC2)cc1C 96424059 PWMNGRWJDFZYBE-QGZVFWFLSA-N 334.464 1.375 0 40 EDAB Cc1nccn1CCCCNS(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 96428248 SEZVIYNJFUNODR-OKILXGFUSA-N 328.482 1.784 0 40 EDAB Cc1cc(C(=O)N2CCn3cc(Cn4cccn4)nc3C2)c(C)o1 96067984 PIIJAANEMYNNJF-UHFFFAOYSA-N 325.372 1.994 0 40 EDAB O=C([C@H]1CN(c2cccc(F)c2)CC12CCOCC2)N1CCOCC1 96160173 JDGVUVAPELSHTM-QGZVFWFLSA-N 348.418 1.918 0 40 EDAB O=C(c1cnccn1)N1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 96042548 UDNCOSYQUGYUHC-ZACQAIPSSA-N 340.383 1.460 0 40 EDAB Cc1cccc(N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)n1 96238081 KEAWUBDGQYOWLM-SFHVURJKSA-N 340.431 1.051 0 40 EDAB O=C(c1ccco1)N1CCOC[C@]2(CCN(C3CCOCC3)C2)C1 96202049 CTNMJSPVXWQKLO-SFHVURJKSA-N 334.416 1.623 0 40 EDAB Cc1ccc(CC(=O)Nc2[nH]nnc2C(=O)N2CCCC2)cc1C 583858181 OUQYZDDGAPSJKO-UHFFFAOYSA-N 327.388 1.839 0 40 EDAB O=C(c1cc[nH]n1)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96073174 AIPVMPYIYHNBTH-OAHLLOKOSA-N 342.399 1.785 0 40 EDAB Cc1noc(C[C@@H]2COC[C@H]3CN(C(=O)c4ccoc4C)C[C@@H]23)n1 96057262 HZXXQUQYHCVJMZ-NFAWXSAZSA-N 331.372 1.857 0 40 EDAB O=C(c1cccs1)N1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 96050847 RIAIZBNWKGUCPI-INIZCTEOSA-N 328.397 1.807 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C)c3ncccc3C2)cc1 96198813 DLURSFBGWHVJIJ-UHFFFAOYSA-N 333.413 1.731 0 40 EDAB C[C@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCCN2)CC1)c1ccccc1 96481183 DLLIACHQFJWXGY-AEFFLSMTSA-N 343.471 1.993 0 40 EDAB Cc1noc(CCNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 97378865 AAJMVVGOXDKONI-XJKSGUPXSA-N 343.431 1.740 0 40 EDAB CC(C)c1noc(CCNC(=O)NCc2cccc(N(C)C)n2)n1 96484425 QGRHZWFYKOKIIH-UHFFFAOYSA-N 332.408 1.696 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2cnc3ccccc3c2)Cc2ccnn21 247946115 JZIOBHQSYFMXMU-INIZCTEOSA-N 335.367 1.374 0 40 EDAB COCC(=O)N1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257313388 USEIJYBGRZXXKN-OAHLLOKOSA-N 334.347 1.951 0 40 EDAB O=C1N[C@@]2(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)C[C@H]3C[C@@H]1[C@H]2C3 585090322 GFCSPRBDAJOZNA-NAVAONRNSA-N 344.802 1.747 0 40 EDAB Cc1nn(C)c(OC[C@@H]2CCCCO2)c1C(=O)NCc1cncn1C 585085251 AFSOISJFXVBVEI-AWEZNQCLSA-N 347.419 1.340 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nccc(CN(C)C)n1 257286645 PMJLRCRSIVRRSF-CQSZACIVSA-N 341.481 1.262 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)c2ccc(=O)n(CCF)n2)cc1 585120741 HQAGFNHVYJFWOH-UHFFFAOYSA-N 347.390 1.973 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2cnc3ccnn3c2)C1 585124953 AZUAVSIOBPWBOV-LLVKDONJSA-N 331.376 1.925 0 40 EDAB CC[C@@H]1C[C@H]1NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 585115561 GYIQSLGNCHDCKG-FRRDWIJNSA-N 348.465 1.340 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1=CCS(=O)(=O)C1 585121745 XXIUBDSTYBFSGR-OAHLLOKOSA-N 348.468 1.464 0 40 EDAB Cc1cc(CN2CCC[C@H](Cc3[nH]ncc3S(C)(=O)=O)C2)no1 257288045 PSOMUHLFDQNNKM-GFCCVEGCSA-N 338.433 1.564 0 40 EDAB CCCn1cc(-c2nccnc2C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 257226066 FIZSZZSSWSPUMY-ZDUSSCGKSA-N 349.460 1.574 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)Cn2nc(C)cc2C)C1 257219823 DIHMAOXHNJCVAG-OAHLLOKOSA-N 342.447 1.813 0 40 EDAB Nc1nc(O)c2c(n1)NC(=O)C[C@H]2c1ccc(OC(F)(F)F)cc1 585655787 LYWKSJCFZUBKKB-QMMMGPOBSA-N 340.261 2.137 0 40 EDAB CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccc(F)cc1 257326013 WVKLAZSXHLQHID-SFHVURJKSA-N 342.374 1.835 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CC[C@](O)(CN2CCCC2)C1 257308017 TVCMCBVOGSCQSZ-IBGZPJMESA-N 332.444 1.605 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ccncc3)CC2)C[C@@H](O)C1(C)C 257281060 ONLPWNBODWWVBU-MRXNPFEDSA-N 345.443 1.696 0 40 EDAB CCc1nccn1CC(=O)N1CCO[C@H](c2cc(C)nc(C)n2)C1 257228664 FUUJCZZAAUGYRO-HNNXBMFYSA-N 329.404 1.452 0 40 EDAB CC(C)C[C@H](NS(=O)(=O)NC(C)C)C(=O)Nc1nccs1 272260232 AZRXOYFRTLNDMQ-JTQLQIEISA-N 334.467 1.329 0 40 EDAB Cn1cc(S(=O)(=O)N[C@@H]2C[C@@H](N)C23CCC3)c(C2CCCC2)n1 1615057036 CXBBLPZSLISOCN-ZIAGYGMSSA-N 338.477 1.626 0 40 EDAB O=C(c1cnn(CC2CC2)c1)N1CC2(CCNCC2)[C@H]2COC[C@H]21 1615590445 PGJFXGJMBRBDQM-JKSUJKDBSA-N 330.432 1.134 0 40 EDAB Cc1cccc(C(=O)N2C[C@H]3OC[C@@H](CN4CCCC4=O)[C@H]3C2)c1 575404124 LQTOMEIBMFLUCV-BRWVUGGUSA-N 328.412 1.704 0 40 EDAB CN(C(=O)c1cc2cc(F)ccc2n1C)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O 585280141 BECANGJOZHIBHR-KYOSRNDESA-N 333.363 1.014 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)CCn1cnc2ccccc21 585287865 GDJSXAHUHAENIL-NUJGCVRESA-N 347.415 1.314 0 40 EDAB Cc1nonc1CC(=O)N[C@H]1CCCN(C)[C@H]1Cc1cccc(F)c1 585280064 ACWGBZQDZNKRJL-RDJZCZTQSA-N 346.406 1.881 0 40 EDAB CC(=O)N1CC(F)(F)C[C@@]2(CCN(Cc3cccc(C)n3)C2=O)C1 585093067 SEDNOGIOYLLYRN-INIZCTEOSA-N 337.370 1.996 0 40 EDAB CC(C)C(=O)NCC[C@H]1CN(Cc2cnn(C)c2)Cc2ccnn21 585112190 KYYRBAKCUMQZNB-HNNXBMFYSA-N 330.436 1.336 0 40 EDAB Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1 585097512 MNUHZKJQRHEJJU-CQSZACIVSA-N 329.404 1.690 0 40 EDAB CNc1cnc(C(=O)N2CC[C@@](O)(COc3cccc(F)c3)C2)nc1 585277955 YGRVQIZEAMJFLB-KRWDZBQOSA-N 346.362 1.313 0 40 EDAB O=C(CN(c1ccccc1)C1CCCC1)N[C@@H]1CCS(=O)(=O)C1 66567231 KJUNFLQFYMEFCR-CQSZACIVSA-N 336.457 1.739 0 40 EDAB COC(=O)c1cc(NC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Cl 44544093 PLNLQRWEGSHNHQ-QMMMGPOBSA-N 331.777 1.500 0 40 EDAB COc1ccc(C(=O)N2CCC[C@@H](COc3ncccn3)C2)cn1 1775995094 BIKPYSKGGGCFTN-CYBMUJFWSA-N 328.372 1.811 0 40 EDAB CN1CCN(C(=O)CCNC(=O)CCCOCc2ccccc2)CC1 51469001 QTLSLJSDMSWNTJ-UHFFFAOYSA-N 347.459 1.264 0 40 EDAB Cn1cc(S(=O)(=O)N2CCCCc3ccccc32)cc1C(N)=O 56052853 GBWHECZVPOTYTG-UHFFFAOYSA-N 333.413 1.656 0 40 EDAB CC1(C)NC(=O)N(CCSCc2noc(C(C)(C)C)n2)C1=O 56242046 QWSQXRCPVVWTJJ-UHFFFAOYSA-N 326.422 1.931 0 40 EDAB O=C(CNC(=O)c1cc(F)cc(F)c1)NC[C@@H]1CCCC[C@H]1O 79066303 KEHTZVDSNOIZOE-IINYFYTJSA-N 326.343 1.362 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cccc(CS(N)(=O)=O)c2)cc1 58247763 GIGOBOBVAIXHMJ-UHFFFAOYSA-N 340.426 1.584 0 40 EDAB COc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1 71103 JJKZXBGNQXGULX-LCYFTJDESA-N 325.349 1.967 0 40 EDAB COc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 510561 SLLBQNVGZMNZFA-NYYWCZLTSA-N 332.381 1.995 0 40 EDAB O=C(/C=C/c1ccc(Br)o1)OCC(=O)N1CCCC1=O 3347843 IPBZRDHMHLHFKP-GQCTYLIASA-N 342.145 1.748 0 40 EDAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(Cc2ncc[nH]2)C1 12221432 RFILROUYJAMUQM-SECBINFHSA-N 327.435 1.044 0 40 EDAB COCCn1c(=O)c(CNCCn2cncn2)cc2cc(C)ccc21 12330403 QYCIKSASDHIRMO-UHFFFAOYSA-N 341.415 1.338 0 40 EDAB O=C(c1ccncc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12848761 VEKRFEQORLZYAE-UHFFFAOYSA-N 349.387 1.367 0 40 EDAB Cc1nc2sc(C(=O)O[C@@H](C)C(=O)NC3CC3)c(C)c2c(=O)[nH]1 14129624 GKWBTXGUXOWLLF-ZETCQYMHSA-N 335.385 1.425 0 40 EDAB CNC(=O)c1cc([C@@H]2CCN(C(=O)COC)C2)nc2ccccc12 19754602 IHILUMDSTZTJDM-GFCCVEGCSA-N 327.384 1.557 0 40 EDAB CC[C@H](C)OC(=O)[C@@H](C)n1cnc2sc(C(N)=O)c(C)c2c1=O 150445 ASENHCMQVVMCCO-IONNQARKSA-N 337.401 1.768 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 8110886 WIWNVNNNJWTIND-UHFFFAOYSA-N 340.426 1.752 0 40 EDAB CN1C[C@@H](C(=O)N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)CC1=O 1888844076 WEJCIXAMJIFXHP-OCCSQVGLSA-N 344.415 1.060 0 40 EDAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cncc(F)c2)nn1 1888844610 OGQJIBKTCZSAID-XYPWUTKMSA-N 345.378 1.967 0 40 EDAB CCc1cnc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)nc1 1888890486 FWXHDIKGXULFHV-UHFFFAOYSA-N 336.403 1.341 0 40 EDAB Cc1noc([C@@H]2C[C@H](F)CN2C(=O)Cn2nnc3ccccc32)n1 1888890721 PQSUWWHLOPXHBE-GWCFXTLKSA-N 330.323 1.434 0 40 EDAB Cc1oncc1CN1CCN(c2ccc(-n3cccn3)nn2)CC1 1889143347 RMDRJJYIBHWLGF-UHFFFAOYSA-N 325.376 1.281 0 40 EDAB COc1cnc(OC2CCN(c3nccn4c(C)nnc34)CC2)nc1 1889148760 ZARHPIADJSHMKM-UHFFFAOYSA-N 341.375 1.279 0 40 EDAB CCc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 24095534 QMJPAOQBWYNQSR-BHYGNILZSA-N 329.396 1.940 0 40 EDAB CC(C)N(C)CC(=O)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1 1614927303 HGODFOVHHXIMLK-OAHLLOKOSA-N 347.463 1.681 0 40 EDAB COc1cc(C(=O)N2CC[C@@]3(CN(C)C[C@H]3COCC3CC3)C2)on1 1565543129 ZMAFMHCMQCLGQM-KBXCAEBGSA-N 349.431 1.504 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@@H]2NC(=O)c1csc(C)n1 1565555230 BSKAFPVDDYCNFT-NSHDSACASA-N 332.429 1.957 0 40 EDAB COc1ccc(OC)c(NC(=O)CN2C(=O)CS[C@@H](C)C2=O)c1 2711160 SOXBTGREDPVQQJ-VIFPVBQESA-N 338.385 1.133 0 40 EDAB Cn1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)n1 12444390 HCCBHVRHVQLRDR-UHFFFAOYSA-N 327.413 1.992 0 40 EDAB Cc1cccc(CN2CC[C@]23CCCN(C(=O)c2cc[nH]n2)C3)n1 2055806612 YJPYVXRLGBWZQB-SFHVURJKSA-N 325.416 1.994 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)COc2cccc(C)c2C)CC1 22573200 RAXMDYFWJCHBOD-MRXNPFEDSA-N 336.432 1.817 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)c1cnn(-c2ccccc2)c1 76379895 QSMCXLOEMWGZJW-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCCn1cccn1 30171067 LFAXOLCQJHFFSZ-LBPRGKRZSA-N 334.807 1.861 0 40 EDAB O=C(Cc1ccccc1)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 30767534 DSWHIXACPJEAIL-GOSISDBHSA-N 338.407 1.945 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cccnc1 30941545 FPRLWSKMQALNQW-ZQNFCJTASA-N 345.424 1.962 0 40 EDAB Cn1ncc(C(=O)NCCCN2CCCCCC2=O)c1-n1cccc1 40490400 JVIOSPYDBGAXNR-UHFFFAOYSA-N 343.431 1.733 0 40 EDAB O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 134130 TXKJRBUZNKEHNZ-UHFFFAOYSA-N 340.401 1.665 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)Nc1ccc(S(C)(=O)=O)cc1 40526560 XZJJZSFTPGZQFZ-JTQLQIEISA-N 327.406 1.126 0 40 EDAB CNC(=O)CN(C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 40540200 ICMHJNFBWBLOQO-UHFFFAOYSA-N 339.701 1.494 0 40 EDAB CC(C)CN1C[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)CC1=O 40510789 IZHPKJYCIBENMG-HNNXBMFYSA-N 341.415 1.388 0 40 EDAB CCN(CC)C(=O)Cn1c(C)cc2nc3sc(C)nn3c(=O)c21 51357381 LBXIMORJRAACNK-UHFFFAOYSA-N 333.417 1.591 0 40 EDAB O=C(Nc1nc(CN2CCOCC2)cs1)[C@@H]1Cc2ccccc2O1 51866354 CKFNWJYSNVXFJC-HNNXBMFYSA-N 345.424 1.918 0 40 EDAB CCOC(=O)CN(CCOC)S(=O)(=O)c1cc(C)ccc1C 32932925 HSHLDAUYSXVSNY-UHFFFAOYSA-N 329.418 1.504 0 40 EDAB NC(=O)C1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 33018739 XQALYEQMKLEILR-LBPRGKRZSA-N 347.242 1.930 0 40 EDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NOCc1ccccc1 102908959 LTTBJZLIALARPY-HUUCEWRRSA-N 330.384 1.800 0 40 EDAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 545285 KLASZPGPSSHPHG-UHFFFAOYSA-N 339.399 1.538 0 40 EDAB CCCCn1nc(C(=O)NCc2nnc3n2CCCCC3)ccc1=O 53282054 HPGWJQOLRQYXMG-UHFFFAOYSA-N 344.419 1.291 0 40 EDAB COc1cccc(CNC(=O)Cn2nc(-c3cccs3)oc2=O)c1 22993088 PXRODPSWJSZRGT-UHFFFAOYSA-N 345.380 1.890 0 40 EDAB COC(=O)c1cc(C2CC2)nc2c1c(C)nn2CC(=O)NC1CC1 12396223 HHGOPUGPSKFZAA-UHFFFAOYSA-N 328.372 1.682 0 40 EDAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 569506 AVJJPKXFRZAWDL-UHFFFAOYSA-N 348.432 1.997 0 40 EDAB Cn1cc(C(N)=O)c(NCc2nnc(-c3ccccc3Cl)o2)n1 97048090 QXGHZASVKFVRQA-UHFFFAOYSA-N 332.751 1.835 0 40 EDAB Cn1ncc2c(N3CCC(C(=O)N4CCCCCC4)CC3)ncnc21 12486485 YOOZRDBHPHWRLX-UHFFFAOYSA-N 342.447 1.982 0 40 EDAB O=C(NCc1ccc(-c2nnn[nH]2)cc1)[C@H]1Cc2cc(F)ccc2O1 76996183 ARMRRRMYKNZTEE-OAHLLOKOSA-N 339.330 1.626 0 40 EDAB Cc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cc(C)nn3C)C2)cc1 77768157 IHSVTJKILXZFPX-AWEZNQCLSA-N 341.415 1.371 0 40 EDAB COC(=O)C[C@H]1CSCCN1C(=O)c1cn2c(C)cccc2n1 78869204 RSIQSLYQXALEKO-LBPRGKRZSA-N 333.413 1.763 0 40 EDAB CNC(=O)COc1coc(CN2c3ccccc3C[C@@H]2C)cc1=O 4304570 BAPTXQYRCGCINE-LBPRGKRZSA-N 328.368 1.716 0 40 EDAB Cn1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cn1 24302988 OOEKUMZMJIMMSS-UHFFFAOYSA-N 326.400 1.313 0 40 EDAB CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6336992 WGLJSYPLQVXYFC-LBPRGKRZSA-N 326.418 1.236 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 97018990 IZMZVPHEVYHMHX-HUUCEWRRSA-N 345.447 1.735 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(C[C@@H](O)COc3ccccc3)CCO2)n1 106666009 FSPJTVFNKISBIA-MJGOQNOKSA-N 345.443 1.641 0 40 EDAB CCCCn1nnnc1CN1CCC[C@@H]1c1c(C)nn(C)c1OC 72253683 RWOPZJOERQSBKB-CYBMUJFWSA-N 333.440 1.861 0 40 EDAB CCCN(C(=S)N[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 107325736 MZNHBZVYHIIWDT-FQUUOJAGSA-N 330.519 1.949 0 40 EDAB CNC(=O)C1CCN(C(=O)c2ccc(-c3nc(C)no3)cc2)CC1 43727349 YTSXBCGYMWNCKR-UHFFFAOYSA-N 328.372 1.643 0 40 EDAB CN(CCCN1C(=O)NC(C)(C)C1=O)CCOc1cccc(F)c1 53187336 HAQBAQGULKEYNM-UHFFFAOYSA-N 337.395 1.857 0 40 EDAB O=C(COC(=O)/C=C/c1cnc2ccccc2n1)NCC(F)(F)F 3280454 OLUGTSXEPAPABQ-AATRIKPKSA-N 339.273 1.865 0 40 EDAB COc1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cn1 57145267 KRONWHKHWVCKEX-UHFFFAOYSA-N 327.388 1.648 0 40 EDAB C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)Cc1ccc2c(c1)OCCO2 27536322 PLQUJMQMZQCXKM-GFCCVEGCSA-N 349.431 1.902 0 40 EDAB COC(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 44866380 QRSCQOJJQOHQDD-CYBMUJFWSA-N 340.420 1.798 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1F)N1CCN(C[C@H]2CCCO2)CC1 22777107 HAKZMUVOZKDARQ-LSDHHAIUSA-N 335.423 1.949 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCOC(C)(C)C2)c(Cl)c1 58295752 DHBLJASODVOUDN-UHFFFAOYSA-N 347.820 1.926 0 40 EDAB CNC(=O)NC(=O)CNc1ccc(C(=O)N2CCCC[C@H]2C)cc1C 58282741 IMFLRKZYNOLVER-CYBMUJFWSA-N 346.431 1.877 0 40 EDAB COc1ncccc1NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 44954475 PVLMDVGKPRAZNC-UHFFFAOYSA-N 346.387 1.674 0 40 EDAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NCC(C)C 44954010 PIGWMTVUCOCSOO-UHFFFAOYSA-N 332.448 1.458 0 40 EDAB O=C(CCCNc1ncccn1)N1CCN(c2ccncc2)CC1 44951704 JRGRGPYIYGZUCP-UHFFFAOYSA-N 326.404 1.413 0 40 EDAB COc1ccc([C@H](CNC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)N(C)C)cc1 71283123 ZPLXMYRPBNYYBO-ZNMIVQPWSA-N 334.416 1.771 0 40 EDAB O=C(O[C@@H]1CCS(=O)(=O)C1)c1nn(-c2ccccc2)c2c1CCC2 58382441 MGVFQPVLKKVGOZ-CYBMUJFWSA-N 346.408 1.705 0 40 EDAB O=C(CNC(=O)c1ccccc1)Nc1ccn(Cc2cccnc2)n1 58322896 UHHRIOCBKUDAIE-UHFFFAOYSA-N 335.367 1.695 0 40 EDAB CC1CCN([C@H](C)CNC(=O)c2ccnc(-n3cncn3)c2)CC1 58393799 CXDMLVMLWOLTPJ-CQSZACIVSA-N 328.420 1.513 0 40 EDAB COCCN1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 58404985 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CCN(C(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1)C(C)C 97141746 UBCKYEAVZYCYHK-INIZCTEOSA-N 338.496 1.855 0 40 EDAB C[C@@H](NC(=O)Nc1ccc(N2CCNC(=O)C2)nc1)c1ccccc1 48332149 KOGUZWDOXWRJBO-CYBMUJFWSA-N 339.399 1.901 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)c1cc(C)nc2c1nc1n2CCCCC1 12824036 IQJZVAXIMPXBDX-GFCCVEGCSA-N 343.431 1.721 0 40 EDAB CSc1ccc(O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 9154512 KPWJMDXZWPGSKQ-GHMZBOCLSA-N 329.443 1.479 0 40 EDAB Cc1cccc(OCC(=O)NCc2ccc(S(N)(=O)=O)s2)c1 12945173 FTUGKRAOCAPQEE-UHFFFAOYSA-N 340.426 1.399 0 40 EDAB O=C(CCNCc1cnn(-c2ccc(Cl)cc2)c1)N1CCOCC1 48786558 IMOYVDGRMKOYBD-UHFFFAOYSA-N 348.834 1.864 0 40 EDAB O=C1CN(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)CCN1 96010636 ZJXPHJRGEZTOAW-UHFFFAOYSA-N 335.367 1.989 0 40 EDAB Nc1nc(S[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)n[nH]1 39383557 QXOFANYTPCOLSF-NEPJUHHUSA-N 333.417 1.516 0 40 EDAB COc1cccc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2C)c1O 13684071 QDSGPIPWCQMTHL-SUMWQHHRSA-N 349.408 1.680 0 40 EDAB NC(=O)COc1cccc(CN2CCO[C@H](c3nccs3)C2)c1 97200102 NWZHJLXUPPYNBG-AWEZNQCLSA-N 333.413 1.581 0 40 EDAB O=C(CSc1nnnn1C[C@H]1CCCO1)c1ccc2c(c1)OCO2 9336059 SSAQMLAINAYENT-LLVKDONJSA-N 348.384 1.556 0 40 EDAB Cc1cc(N2CCC[C@H](NC(=O)c3ccc(F)nc3)C2=O)n(C)n1 72539902 BNPBSVYEHDEMSL-LBPRGKRZSA-N 331.351 1.188 0 40 EDAB C[C@H]1CCN(Cc2cc(=O)n(C)c(=O)n2C)c2ccccc2S1 65488367 ZZIVUEVDQKRGJQ-LBPRGKRZSA-N 331.441 1.975 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3cn(C)nc3C(C)C)CC2)no1 65495902 VBOFAWLRYHWNNB-UHFFFAOYSA-N 331.420 1.798 0 40 EDAB COC(=O)CS(=O)(=O)CCC(=O)N1CCC[C@H]1c1ccsc1 65577209 WHZFROIREZATKT-LBPRGKRZSA-N 345.442 1.390 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)C2(C)C)C1 65575239 JSNGFNSGOSICGO-GFCCVEGCSA-N 339.436 1.371 0 40 EDAB COc1cccc(NC(=O)C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c1 65620865 GROUFUBYIKQUFF-AWEZNQCLSA-N 347.415 1.397 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)Nc1cccc(C(=O)O)c1 4506659 GADSORVZYVHFEE-LMHVJCSRSA-N 342.351 1.354 0 40 EDAB Cc1cc2nnc(SCC(=O)N3CCNC3=O)n2c2ccccc12 4843466 NCQPSTGSZQLPNO-UHFFFAOYSA-N 341.396 1.835 0 40 EDAB O=C(COC(=O)Cc1ccc2c(c1)OCCO2)NCC(F)(F)F 5959405 LXDLLUCMKAMMLR-UHFFFAOYSA-N 333.262 1.222 0 40 EDAB CCN1C(=O)C[C@H](N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O 19874129 QCGRCGYEOMSSBV-HNNXBMFYSA-N 342.399 1.114 0 40 EDAB O=C(Nc1ccc2c(c1)OCCO2)C(=O)N1CCc2ccccc2C1 80216983 HNKLJQOUBNTBIP-UHFFFAOYSA-N 338.363 1.981 0 40 EDAB Nc1cc(S(=O)(=O)N2CCCC2)ccc1NCCCC(=O)O 15775160 QHSWGLRUKKBDJD-UHFFFAOYSA-N 327.406 1.330 0 40 EDAB O=C(NCC1CCS(=O)(=O)CC1)NC[C@H]1C[C@@H]1c1ccccc1 96484960 WVVQHWFCMODSGT-HZPDHXFCSA-N 336.457 1.914 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)c2ccnc3ccccc23)C1 67815240 SOTJYOMBFLRJTB-LBPRGKRZSA-N 333.413 1.389 0 40 EDAB O=C(N[C@H](c1ccccc1)c1ccncc1)[C@@H]1CCS(=O)(=O)C1 68262113 HEOYGLRFCXKROS-HZPDHXFCSA-N 330.409 1.722 0 40 EDAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCc1ccco1 68846129 HINHNROSIVZWMZ-FMIVXFBMSA-N 334.397 1.876 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1nnc(C)s1 71880580 QVOAKZZKDIJAHR-STQMWFEESA-N 337.449 1.260 0 40 EDAB COc1cc2nc(CN3CCN(C4CC4)CC3)[nH]c(=O)c2cc1OC 71836943 ZSVFAKLXDDGZRA-UHFFFAOYSA-N 344.415 1.220 0 40 EDAB O=C(Nc1ccc(F)cc1)C1CCN(CC(=O)N2CCOCC2)CC1 69382209 DDFURCILSXRCLZ-UHFFFAOYSA-N 349.406 1.335 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](N(C)C)C2)c(C)c1F 96501617 XWRZTTLWASXYFS-VXGBXAGGSA-N 330.425 1.904 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCCc1ccc2c(c1)OCCO2 69414224 BXGBLIOCFWISFZ-STQMWFEESA-N 349.431 1.603 0 40 EDAB CCn1ccnc1CN1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1 69493015 WKPRMNGJMYVFSO-INIZCTEOSA-N 347.507 1.858 0 40 EDAB CCc1ccsc1C(=O)NCCS(=O)(=O)N1CCSCC1 69558413 QMMQTTJEXVJNDK-UHFFFAOYSA-N 348.515 1.419 0 40 EDAB Cc1cnn(C[C@H](C)N[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 69564484 CWXAZXOGHUPVOC-KBPBESRZSA-N 341.415 1.543 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(CC[S@](=O)c2ccccc2)CC1 69630092 UQOWGLSLEBCAKO-GAJHUEQPSA-N 338.517 1.819 0 40 EDAB COc1ccc(Br)cc1CNC(=O)[C@H]1CCC(=O)N1 69699965 NHIUNCDEBQBCCN-SNVBAGLBSA-N 327.178 1.353 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)CCn1nc2ccccn2c1=O 69620008 IQVGVVPWEXMFAL-GJZGRUSLSA-N 346.431 1.598 0 40 EDAB Fc1cc(CNC[C@@H]2CN(C3CC3)CCO2)ccc1-n1cncn1 69897573 FHNSKNAUMLEZCK-OAHLLOKOSA-N 331.395 1.359 0 40 EDAB Cn1cc(CN2CCN(C[C@H](O)COc3ccc(F)cc3)CC2)cn1 69818649 PMEDYPCGSQXKMT-KRWDZBQOSA-N 348.422 1.117 0 40 EDAB COc1cccc(Cc2nnc(NC(=O)[C@@H]3CCC(=O)N3)s2)c1 69812912 XOTGQHHSAOZYKG-NSHDSACASA-N 332.385 1.355 0 40 EDAB CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1COCCO1 72070476 RJNATKUOEKFKGD-GFCCVEGCSA-N 343.177 1.761 0 40 EDAB O=C(NCCn1cccc1)c1cncc(I)c1 95441286 BKRCXQVPKHLASF-UHFFFAOYSA-N 341.152 1.918 0 40 EDAB Cc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1-n1cnnn1 95478579 PBJWCEMSKVSFLG-CRAIPNDOSA-N 341.415 1.738 0 40 EDAB CC(C)(C)NC(=O)NCCCCN1CCN(c2ncccn2)CC1 95411248 BHTKNTLBTDHLJZ-UHFFFAOYSA-N 334.468 1.477 0 40 EDAB COc1cc(C(=O)N2CCN(c3cnn(C)c3)CC2)cc(OC)c1C 74395483 CKKILYQKNMYRQJ-UHFFFAOYSA-N 344.415 1.708 0 40 EDAB CC(C)Sc1ncccc1C(=O)NC[C@](C)(O)c1cnn(C)c1 75145959 DWXJRUVUBUQWIA-INIZCTEOSA-N 334.445 1.953 0 40 EDAB C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)c2ccccc2C1=O 75241220 HRNPABYNQCMGGT-LBPRGKRZSA-N 338.363 1.736 0 40 EDAB O=C(NCc1ccc(N2CCCC[C@@H]2CCO)nc1)C1CCOCC1 89794225 IIQHUAOXPZKVGB-QGZVFWFLSA-N 347.459 1.866 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)CN1CSCC1=O 75602211 RZBBIBHQFUFANI-JTQLQIEISA-N 342.852 1.578 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)c1ccsc1)Cc1ccccn1 556773092 DDWZNUZGHOZOBK-JTQLQIEISA-N 326.399 1.365 0 40 EDAB COC1CN(C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)C1 524411846 DIAZFYZFNIJXDD-UHFFFAOYSA-N 326.278 1.757 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C1(CO)CO 218206213 PXXOQHFPRGRIOS-VXGBXAGGSA-N 349.246 1.321 0 40 EDAB CCN1c2ncccc2C(=O)NC12CCN(Cc1cccn1C)CC2 36735047 MHPXWJHJPBULAT-UHFFFAOYSA-N 339.443 1.982 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)Nc2cnn(C)c2)[C@H]1c1cccc(F)c1 72241671 KYJGWDGDUISQCI-HUUCEWRRSA-N 332.335 1.096 0 40 EDAB O=C(O)CCN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 217371508 ASYQJSOUVJQGIJ-GFCCVEGCSA-N 345.804 1.444 0 40 EDAB O=S(=O)(NC[C@@]1(O)CCCc2occc21)c1ccc2c(c1)CCO2 1565523325 KODXZWCDDGAWJL-KRWDZBQOSA-N 349.408 1.717 0 40 EDAB COCc1nc(C)cc(N(C)[C@H]2CCN(CC(F)(F)F)C2=O)n1 75051547 FUVHIRMQAGKLJB-JTQLQIEISA-N 332.326 1.531 0 40 EDAB COCC(=O)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 72377809 FEAZIONAPOYHQE-CYBMUJFWSA-N 328.376 1.710 0 40 EDAB CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C[C@@H]3C(=O)O[C@H](C)[C@H]3[C@@H]2C(=O)O)C1 504000836 IYJNBOZDJDFHBC-IORQEQIJSA-N 339.388 1.800 0 40 EDAB CNCC(=O)N1CCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 72360918 QYAACCMBILSHHZ-AWEZNQCLSA-N 326.404 1.807 0 40 EDAB CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 78331376 UXPIQHMNZVXIBY-SIGJXTPFSA-N 341.521 1.850 0 40 EDAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCC(C)C)n1 49545821 CKSFIPVFKONTRC-UHFFFAOYSA-N 333.363 1.830 0 40 EDAB COCc1noc(CN2CCN(Cc3ccc4cn[nH]c4c3)CC2)n1 188794292 MKTWXTQOQSUMKY-UHFFFAOYSA-N 342.403 1.410 0 40 EDAB C[C@@H]1CN(C(=O)Nc2ncn(Cc3ccccc3)n2)CC2(CCC2)O1 565361512 QVEZTHNZDCWVSD-CQSZACIVSA-N 341.415 2.502 0 40 EDAB O=S(=O)(CCc1ccccc1)N1CCC2(CC1)OCCCO2 49705984 OWNVLEQFKBIOFM-UHFFFAOYSA-N 325.430 1.788 0 40 EDAB COC[C@]1(NC(=O)c2cc(=O)c(OC)co2)COc2ccccc2C1 529956638 FFZYEPKGDNMEBT-SFHVURJKSA-N 345.351 1.399 0 40 EDAB Cc1ccc(-c2noc(CCCS(=O)(=O)CCO)n2)cc1F 86996583 HQNSSNSCYOXAFJ-UHFFFAOYSA-N 328.365 1.524 0 40 EDAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cccs2)CC1 225676156 MUEHPNPRYHTPHH-UHFFFAOYSA-N 339.442 1.560 0 40 EDAB COc1ccc(CC(=O)NCCCCN2CCOCC2)cc1OC 48286954 GAHSHPUEBXBJPE-UHFFFAOYSA-N 336.432 1.475 0 40 EDAB O=S(=O)(N[C@H]1CCc2nnnn2CC1)c1cc2ccccc2o1 576336707 TVHKAJGIWMHPJR-NSHDSACASA-N 333.373 1.103 0 40 EDAB O=C(N[C@@H]1CCC12CCN(C(=O)c1ccoc1)CC2)c1cnccn1 96051509 IBRFTCYCPXVOSL-OAHLLOKOSA-N 340.383 1.884 0 40 EDAB CCOc1ccc2c(C(=O)N3CCN(CC)CC3)cc(=O)oc2c1 96035920 LNMZLAUMWLDTPH-UHFFFAOYSA-N 330.384 1.969 0 40 EDAB CCOC[C@H]1C[C@]2(COCCN2C(=O)Cc2cccc(OC)c2)CO1 96240724 MJASADOLJKLQGA-MJGOQNOKSA-N 349.427 1.661 0 40 EDAB O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(F)c(F)c1F 96420338 UGRPOSOEDJHKJQ-KCJUWKMLSA-N 330.306 1.710 0 40 EDAB CNC(=O)[C@H]1CC2(CCN(C(=O)[C@@H]3CCOC3)CC2)c2ccccc21 96079301 OBYUWLIYACAWAT-ZBFHGGJFSA-N 342.439 1.817 0 40 EDAB CN1C(=O)C[C@H](C(=O)Nc2ccccn2)[C@H]1c1ccc2c(c1)OCO2 95472964 IJNZFWHLMKNDSQ-YVEFUNNKSA-N 339.351 1.968 0 40 EDAB O=C1NC2(CCN(C(=O)c3cnccn3)CC2)C[C@H]1c1cccnc1 96061392 SDNPUAIHHFTBEO-AWEZNQCLSA-N 337.383 1.150 0 40 EDAB CCc1cnc(N2C[C@H]3CN(Cc4csc(C)n4)C(=O)[C@H]3C2)nc1 96245100 HUKBXFGTLBOIJU-HIFRSBDPSA-N 343.456 1.899 0 40 EDAB CCc1ccc([C@@H](COC)NS(=O)(=O)[C@@H]2CC(=O)N(CC)C2)o1 583651663 QPSPOVYXSGWRTD-CHWSQXEVSA-N 344.433 1.070 0 40 EDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2cccn2C)cn1 96186496 URJLRVNLYABWDB-ZIAGYGMSSA-N 327.388 1.169 0 40 EDAB Cn1cc(CN2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@@H]3C2)cn1 96042829 CLAYGVRCDAMPIH-USXIJHARSA-N 341.415 1.433 0 40 EDAB Cc1ccoc1C(=O)N1CC[C@@H]2CN(C3CCOCC3)CCO[C@@H]2C1 96249675 ZZXXPZQTUIOVON-NVXWUHKLSA-N 348.443 1.930 0 40 EDAB CCc1nn(C)cc1CNS(=O)(=O)c1ccc(OC)c(F)c1C 96501619 VGPHISDBKKNLLY-UHFFFAOYSA-N 341.408 1.917 0 40 EDAB CCc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H]2Cc2cnn(C)c2)cc1 96200589 JVUZVABLBLQHOZ-IRXDYDNUSA-N 349.456 1.349 0 40 EDAB C[C@@H](NC(=O)C1(n2cnnn2)CC1)c1ccc(Br)cc1 585099592 XLSXMKUAZOGLQY-SECBINFHSA-N 336.193 1.802 0 40 EDAB Cn1ccnc(N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1=O 252509477 YONBAFCIUOGMMX-FZKQIMNGSA-N 341.415 1.674 0 40 EDAB Cn1nc(-c2cnccn2)cc1CNC(=O)c1cnc2ccccc2n1 253471824 FWUXOMRWWRRNBE-UHFFFAOYSA-N 345.366 1.750 0 40 EDAB CN(C)c1cccc([C@@H]2CN(C(=O)COc3cccnc3)CCO2)n1 257315936 VDJPLIAMBABYER-INIZCTEOSA-N 342.399 1.522 0 40 EDAB C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 63194281 HMSKOBBOXVFYBW-KOLCDFICSA-N 326.447 1.582 0 40 EDAB COc1ccccc1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257341023 ZIMOHUCVCMRHNM-GPMSIDNRSA-N 332.444 1.684 0 40 EDAB COCCC(=O)N1CCC[C@H]1c1cncc(Nc2ncccn2)n1 257288293 PTPXTGBXTUVHOM-ZDUSSCGKSA-N 328.376 1.710 0 40 EDAB Cc1nccn1[C@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 1614609576 YFQLUERVRXSKPJ-AWEZNQCLSA-N 340.383 1.963 0 40 EDAB CC(C)n1cc2c(n1)C[C@H](NC(=O)c1conc1C(C)(C)N)CC2 1615054525 HWRHTAZUPYTJEX-GFCCVEGCSA-N 331.420 1.933 0 40 EDAB CCCCN(C)c1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)C 1615046122 XJIQQWLLXSEWRM-UHFFFAOYSA-N 348.490 1.577 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](O)c1cn(C)c2ccccc12 96096483 FNBSXZRSSJCAHP-OAHLLOKOSA-N 349.412 1.795 0 40 EDAB Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)nnn1C 1615547568 JPMGVFMLKVPBHV-UHFFFAOYSA-N 328.298 1.466 0 40 EDAB CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1NCc2ncncc21 1615615200 MVUUWVAZCBZDMR-HNNXBMFYSA-N 332.791 1.812 0 40 EDAB O=C(C=C1C2CC3CC(C2)CC1C3)NS(=O)(=O)c1cnccn1 1615616030 UWRBLFZHPUFUSP-UHFFFAOYSA-N 333.413 1.664 0 40 EDAB Cc1cccc(S(=O)(=O)NCCc2cn([C@@H]3CCOC3)nn2)c1 1615615525 YAQMIQWNCQFHSL-CQSZACIVSA-N 336.417 1.069 0 40 EDAB Fc1cccc(F)c1Cc1nnc2n1CCN(c1cnccn1)C2 1616043727 DJCKKSNXBKRQES-UHFFFAOYSA-N 328.326 1.957 0 40 EDAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccnc(C2CC2)n1 601663937 OVTJBEQUYOPPCN-SNVBAGLBSA-N 328.294 1.247 0 40 EDAB CCn1cc(-c2noc(CNC(=O)c3ccc4c(c3)OCO4)n2)cn1 390830592 MCHCPOMZPNBASL-UHFFFAOYSA-N 341.327 1.612 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)c(C)c1 575424773 MQDLUZVWUXIIBS-AWEZNQCLSA-N 331.459 1.501 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)CC[C@H]1CC1(Cl)Cl 585141847 GPUQUNNROXGFGC-VIFPVBQESA-N 331.265 1.358 0 40 EDAB COc1cccc(C(=O)N2CC3(C[C@H](CO)CN3CC3CC3)C2)c1 585093788 GCKVJBLUYCRGAA-HNNXBMFYSA-N 330.428 1.614 0 40 EDAB O=C(CCn1ccccc1=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 585281276 VEWWYNPKAPGXFU-MSOLQXFVSA-N 340.423 1.691 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)CCN2CCOCC2)C1 585275389 AEWQMPJDGYXVIF-LJQANCHMSA-N 348.443 1.060 0 40 EDAB O=C(C1CC(O)C1)N1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 585101041 YONGGPIJATYYSL-MKTAYPAQSA-N 334.441 1.865 0 40 EDAB CC(=O)N1CCOC[C@](O)(CC(=O)N(C)CCCc2ccccc2)C1 585281007 RJSOKBFBGFQODD-IBGZPJMESA-N 348.443 1.078 0 40 EDAB CC(C)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 28053711 HEHJUXLSUPTLFL-UHFFFAOYSA-N 328.409 1.751 0 40 EDAB C[C@@H]1Oc2c(cccc2C(=O)N2CCC[C@H](n3cncn3)C2)NC1=O 72235131 KIKOCTLEBYWHOA-RYUDHWBXSA-N 341.371 1.475 0 40 EDAB CCCCNC(=O)CN1C[C@@H](C)N(CC(=O)NCCCC)C[C@@H]1C 72308499 YOZUDPNNHRVSBB-IYBDPMFKSA-N 340.512 1.214 0 40 EDAB Cc1ccccc1CCNC(=O)c1c(C)oc(C)c1S(N)(=O)=O 45791857 PFBYVEUVIUJERO-UHFFFAOYSA-N 336.413 1.825 0 40 EDAB c1cnc(-n2cncn2)c(CNCc2cnc(N3CCCC3)nc2)c1 48713107 MAJFZHXMJRQEEC-UHFFFAOYSA-N 336.403 1.342 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O 51134882 IMFUKOXZAJDZLZ-WFASDCNBSA-N 337.445 1.018 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CSCC(=O)NCC2CC2)c1 56219604 KWXNIUIXKRQOSY-UHFFFAOYSA-N 342.486 1.696 0 40 EDAB CN(C)C[C@H]1CCCN1C(=O)Nc1cccc(N2CCNC2=O)c1 75582563 DSOKJFBRLWNGHU-OAHLLOKOSA-N 331.420 1.774 0 40 EDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(C[C@H](O)c3cccc(F)c3)C2)C1=O 76059058 UABIPNYTPCUHIB-QIIPPGSGSA-N 349.406 1.511 0 40 EDAB O=S(=O)(N1CCCN2CCC[C@@H]2C1)N1CCC[C@H]1c1ccco1 84432375 MKGZAEWFPZHSFH-CABCVRRESA-N 339.461 1.831 0 40 EDAB O=S(=O)(c1c(Cl)cccc1Cl)N1CC(Cn2cncn2)C1 888106930 FTHYQMIGTJRXST-UHFFFAOYSA-N 347.227 1.906 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1S(=O)(=O)c1ccc(F)cc1 5776247 DYLYAOUXMSAUBW-UHFFFAOYSA-N 341.341 1.359 0 40 EDAB Cc1nc(C)n(CC(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)n1 12366187 VEFQAJLWMGOIEV-INIZCTEOSA-N 343.431 1.246 0 40 EDAB COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN(C)Cc1ccccc1 12601839 HQRWBUUYVRVQNF-GBESFXJTSA-N 345.487 1.591 0 40 EDAB biogenic,in-vitro COc1ccc(COC[C@@H](O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 12796916 DSTFGZORWFAQKY-KBXCAEBGSA-N 348.399 1.293 0 40 EDAB CC(C)NC(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)NCc1ccco1 15676148 XAFMUUYWVBATKF-AWEZNQCLSA-N 331.376 1.164 0 40 EDAB biogenic,in-vitro O=C(CN1CCOCC1)N[C@@H](Cc1cccs1)c1nccs1 19343303 RCLZVHWDGOTDAG-ZDUSSCGKSA-N 337.470 1.937 0 40 EDAB CCOC[C@H]1CCCN(S(=O)(=O)c2csnc2C(=O)O)C1 580643888 DQWMXAKLWGLSAN-VIFPVBQESA-N 334.419 1.279 0 40 EDAB COCCNC(=O)NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 3535132 GFSCISDSUJQKCB-UHFFFAOYSA-N 336.388 1.613 0 40 EDAB COCCn1cnc2c(N3CCN(c4ccccc4)CC3)ncnc21 1888903747 OQMQVVGXQFUPKA-UHFFFAOYSA-N 338.415 1.799 0 40 EDAB NC(=O)c1cc(OC2CN(C(=O)c3nccc4ccccc34)C2)ccn1 1889217650 IIBQBWNBCRSDKU-UHFFFAOYSA-N 348.362 1.632 0 40 EDAB Cc1cc(I)ccc1NC(=O)[C@@H]1CCC(=O)N1 72508238 FIWLPZIPNVEING-JTQLQIEISA-N 344.152 1.817 0 40 EDAB O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)c1cccnc1 9844186 NCBPUWDSROBLRP-UHFFFAOYSA-N 338.342 1.874 0 40 EDAB COc1cc(NC(=O)NCCCn2ncccc2=O)cc(OC)c1 23241691 LKQVRTBVJDULSJ-UHFFFAOYSA-N 332.360 1.472 0 40 EDAB COC(=O)CS[C@@H]1CCN(S(=O)(=O)Cc2ccccc2)C1 217568860 IYECDCSKCHKKON-CYBMUJFWSA-N 329.443 1.497 0 40 EDAB COc1nc(CNC(=O)c2cc3cccc(OC)c3o2)nc(OC)n1 575605482 BEYPEKUJCALVJR-UHFFFAOYSA-N 344.327 1.574 0 40 EDAB O=c1ccc(-c2cccnc2)nn1CC1CN([C@@H]2CCCC[C@H]2O)C1 585605668 FSFOPRWEVGFTAE-QZTJIDSGSA-N 340.427 1.541 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)COc2cccc(OC)c2)CC1 19809556 WXTMPUCBSUNABD-AWEZNQCLSA-N 338.404 1.209 0 40 EDAB O=S(=O)(NC[C@@]1(N2CCOCC2)CCSC1)c1ccccc1 30427454 DFRNBDLHFQNKHN-HNNXBMFYSA-N 342.486 1.173 0 40 EDAB CCNC(=O)CN1CCN(Cc2noc(-c3cccc(C)c3)n2)CC1 30926802 LWBSERBBFUTUCL-UHFFFAOYSA-N 343.431 1.299 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCCC1=CCCCC1 100455133 GOAMFDINFKIMQQ-OTRWWLKZSA-N 328.412 1.800 0 40 EDAB Cc1cccc(N2CCN(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 40476352 SYJHQWMQCDSTOD-AWEZNQCLSA-N 337.445 1.014 0 40 EDAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc2c(c1)CCO2 40498465 MUIYZMLSFFNUBZ-UHFFFAOYSA-N 339.395 1.783 0 40 EDAB CN(C)S(=O)(=O)N1CCN(C(=O)CCCC2CCCCC2)CC1 40498933 ZXCLBGSTAGIPEA-UHFFFAOYSA-N 345.509 1.688 0 40 EDAB C[C@H](C(=O)NCCOc1cccc2c1OC(C)(C)C2)n1cncn1 40510269 GRXMRBHXVGIWAI-GFCCVEGCSA-N 330.388 1.748 0 40 EDAB COc1ccc2c(c1)c1ncnc(N3CCN(CCO)CC3)c1n2C 20502105 MMNSZJABZMPMFP-UHFFFAOYSA-N 341.415 1.244 0 40 EDAB CCN1CCN(C(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)CC1 101469383 WQVQNZOFSUURRX-FDCMFXBMSA-N 333.476 1.626 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@@H](C(N)=O)C1 32773975 WFTSVUYJZDDOQU-WDEREUQCSA-N 341.358 1.812 0 40 EDAB CC[C@@H]1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CCO1 32829473 BDXIZOBYODQIHZ-CQSZACIVSA-N 332.452 1.687 0 40 EDAB CCc1[nH]c(C(=O)NC2CCN(C(C)=O)CC2)c(C)c1C(=O)OC 32820633 AHUUAWHTSGXCDF-UHFFFAOYSA-N 335.404 1.413 0 40 EDAB O=C1CN(c2ccc(NC(=O)c3ccc[nH]c3=S)cc2)CCN1 32931391 JHNUYRPTIKEFEU-UHFFFAOYSA-N 328.397 1.933 0 40 EDAB Cc1cccc(OCCN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)c1 52826743 SBRANWSQNOIHEL-UHFFFAOYSA-N 327.388 1.476 0 40 EDAB CN1N=C(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC1=O 22463759 KVCYRQXUPKJSLO-MRXNPFEDSA-N 328.416 1.548 0 40 EDAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(=O)[nH]c1 22749039 GNZRROSGQKIZHV-MRXNPFEDSA-N 327.384 1.178 0 40 EDAB COC(=O)CNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12391425 DJLPTCONIDBFBZ-ZDUSSCGKSA-N 343.383 1.309 0 40 EDAB O=C1C[C@@H](C(=O)N2CCc3ccc(O)cc3C2)CN1CC(F)(F)F 76998619 WGAZOMBHFFYVTG-GFCCVEGCSA-N 342.317 1.688 0 40 EDAB C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)[C@H](C)CO1 47528797 LIHLRJFHFJIPEA-ZJUUUORDSA-N 329.194 1.247 0 40 EDAB Cn1cc(CN2C[C@H](c3ccccc3)OCC2(C)C)c(=O)n(C)c1=O 92973590 DOTPXRKJFBHQSW-MRXNPFEDSA-N 343.427 1.436 0 40 EDAB Cc1cccn2c(=O)c3cc(C(=O)N4CCOCC4)sc3nc12 426901 OSJVGBMOUHDDHC-UHFFFAOYSA-N 329.381 1.690 0 40 EDAB COC[C@@H](CCO)NS(=O)(=O)c1ccc(OC(C)C)c(C)c1 89591145 WCVHVFXXVIMREV-CYBMUJFWSA-N 331.434 1.458 0 40 EDAB CCc1cc(CNC(=O)Cn2c(=O)n(CC)c3ccccc32)on1 78127659 BBFMZMMBPYXMBD-UHFFFAOYSA-N 328.372 1.690 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)NCC1(C(=O)N(C)C)CCCC1 79098609 DCYDEQZEGVUTRG-GFCCVEGCSA-N 335.452 1.737 0 40 EDAB NC(N)=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O 3117148 ZZBPDCYKAHMBHV-UHFFFAOYSA-N 334.420 1.572 0 40 EDAB COc1cccc2c1OC[C@H](NC(=O)N1CCN(C3CC3)CC1)C2 105243060 CLAVDPUEUDKFOY-CQSZACIVSA-N 331.416 1.488 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1cnn(C)c1 24471240 YBUXREMAPVUFDJ-INIZCTEOSA-N 328.416 1.833 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccncc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 106213625 FKPLBPDNSVBQER-CWSCBRNRSA-N 347.293 1.208 0 40 EDAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)NC2=NC(=C(C)C)NN21 10152985 YUDIQRKOTVMVAU-LBPRGKRZSA-N 343.387 1.258 0 40 EDAB COC(=O)C1(NC(=O)Cn2ccc(C(F)(F)F)n2)CCCCC1 25171535 ZOOMRDNARGRBLG-UHFFFAOYSA-N 333.310 1.894 0 40 EDAB Cc1cc2nc([C@H](C)NC(=O)c3cc(C)c(C)[nH]c3=O)cc(O)n2n1 100217847 RPZQBONLCCKUGS-NSHDSACASA-N 341.371 1.539 0 40 EDAB O=C(Cc1cccnc1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107520175 VPZIWAKHRLCWAE-RTBURBONSA-N 337.423 1.736 0 40 EDAB Cc1ccccc1CNC(=O)NC1CCN(S(C)(=O)=O)CC1 26280710 AIYVWUINNXDEBF-UHFFFAOYSA-N 325.434 1.218 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1Cc1ccccc1 57155520 NVTWCOGUZNJUEX-HOTGVXAUSA-N 336.457 1.202 0 40 EDAB O=S(=O)(CC1CC1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 108106812 KPYOSDZMZZAKCD-SJORKVTESA-N 336.457 1.311 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(COC)oc2C)C[C@@H]1N1CCOCC1 84736046 KVMBPGWZCHVBES-PBHICJAKSA-N 336.432 1.917 0 40 EDAB COc1cccc(N2C(=O)C[C@@H](N3CCC(C(=O)O)CC3)C2=O)c1 9926536 WCQNQCKEIVJZIM-CQSZACIVSA-N 332.356 1.124 0 40 EDAB Cc1nc(COc2ccccc2C(=O)N[C@@H](C)Cn2ccnc2)no1 48280138 IASNWNXMFXZXMX-LBPRGKRZSA-N 341.371 1.972 0 40 EDAB C[C@@H](NC(=O)CN1CCN(CCO)CC1)c1ccc2c(c1)CCCC2 58013783 DYIAUNVVEWGCQW-MRXNPFEDSA-N 345.487 1.353 0 40 EDAB O=C(CNC(=O)Nc1ccc(N2CCOCC2)c(F)c1)NC1CC1 75127097 GMRQMQOSPQFGDU-UHFFFAOYSA-N 336.367 1.062 0 40 EDAB CC[C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1N1CCOCC1 84735805 AMVASXUAGQUWSM-IAGOWNOFSA-N 334.464 1.541 0 40 EDAB CCNc1nnc(SC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)s1 58162456 XEXBLDRBVOWMDE-GMTAPVOTSA-N 332.495 1.532 0 40 EDAB Cc1c([C@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)oc2ccccc12 58210029 LSXQABVEXCRLID-NSHDSACASA-N 327.340 1.469 0 40 EDAB Cn1nc(C(=O)NC2CCCCC2)cc1OCC(=O)N1CCCCC1 57355346 MCEIVUAWNNAEAB-UHFFFAOYSA-N 348.447 1.874 0 40 EDAB CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 100634664 RPEILDMSBKWTGO-CYJAXWMASA-N 327.380 1.574 0 40 EDAB Cc1n[nH]c([C@H]2CN(CC(=O)N3CCCc4ccccc43)CCO2)n1 76048878 VZTAXBIMNBYDDN-MRXNPFEDSA-N 341.415 1.466 0 40 EDAB CCNC(=O)CN(CC)C(=O)c1cn(-c2ccccc2Cl)nn1 58670767 XBDNYBBYIOIOTI-UHFFFAOYSA-N 335.795 1.519 0 40 EDAB Cc1cn2nc(N3CCc4nn(C(C)C)c(=O)cc4C3)sc2n1 76064345 VCICNWDNQHBUTL-UHFFFAOYSA-N 330.417 1.800 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)c1 48374458 LLFYQUVKHVKRRI-OAHLLOKOSA-N 332.425 1.678 0 40 EDAB COc1ccc(CCN2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 103037308 DNEPWNBFUCYWGR-QWHCGFSZSA-N 326.443 1.387 0 40 EDAB Cc1cc(N2CCN(C(=O)Nc3cnn(C)c3)CC2)nc(C(C)C)n1 76062927 UITGQPTWZQLSQU-UHFFFAOYSA-N 343.435 1.996 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)C1 100931189 ZYYQVARWAOQZDL-JBBXEZCESA-N 337.416 1.910 0 40 EDAB CN1C(=O)N(S(=O)(=O)c2ccc(F)c(F)c2F)C(=O)C1(C)C 3426235 QTMDBEXNNKDPAS-UHFFFAOYSA-N 336.291 1.465 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1cccc2cc(C)cnc12 29335438 XHBDMMRAMFNZRN-UHFFFAOYSA-N 335.429 1.690 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2cncc(Br)c2)no1 3488606 KVHMOKUFFHIFCP-UHFFFAOYSA-N 340.133 1.936 0 40 EDAB COc1ccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)cn1 47091787 FUFORCTTZZQPCW-UHFFFAOYSA-N 330.388 1.653 0 40 EDAB CC[C@H](NC(=O)c1ccncc1I)C(=O)OC 95447534 JWAOKIDGDBNICV-VIFPVBQESA-N 348.140 1.368 0 40 EDAB CCCn1nc(C(=O)N[C@](CC)(C(=O)O)c2ccccc2)ccc1=O 95424616 OISCPLJXIAVZPK-SFHVURJKSA-N 343.383 1.773 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)o1 95431032 IPCCKUFPCZAJTH-INIZCTEOSA-N 329.400 1.440 0 40 EDAB CCOC(=O)NCCNC(=O)CCc1nc(-c2ccsc2)no1 65591071 PQWGBQNMFVOUOK-UHFFFAOYSA-N 338.389 1.593 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCCC1 14134970 FFWDBKGROCJWKT-UHFFFAOYSA-N 347.234 1.350 0 40 EDAB CC(C)N1CC[C@H](N2CCC(OCCN3CCCCC3)CC2)C1=O 95406266 RZAQWOJAXJQKMH-SFHVURJKSA-N 337.508 1.963 0 40 EDAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ncccc2O)cc1 9339055 QFCYPGSJFCJYEA-UHFFFAOYSA-N 335.385 1.131 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1 66158616 HDDMMMHRPIAWRW-AWEZNQCLSA-N 337.445 1.792 0 40 EDAB NC(=O)c1ccsc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 14626826 RVPXAACLQZEJHN-NXEZZACHSA-N 349.412 1.351 0 40 EDAB CCCn1c(N)c(NC[C@H](c2ccccc2)N(C)C)c(=O)[nH]c1=O 7004359 SSITVUJZZMZJRI-CYBMUJFWSA-N 331.420 1.244 0 40 EDAB CC[C@H](C)NC(=O)Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O 67300183 UCDFZWBCAXQUNV-ZDUSSCGKSA-N 343.427 1.668 0 40 EDAB CCN(CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1COc2ccccc2O1 9479528 WNCKJYZUSMXLFH-CYBMUJFWSA-N 349.431 1.773 0 40 EDAB CN(C)C(=O)CN1CCC(NC(=O)c2ccc3[nH]ccc3c2)CC1 68573647 FOPANTHYRRIXCC-UHFFFAOYSA-N 328.416 1.450 0 40 EDAB CCS(=O)(=O)CCNS(=O)(=O)c1ccc(CC(C)C)cc1 69129740 BADDDNZCLXJMIC-UHFFFAOYSA-N 333.475 1.598 0 40 EDAB Cc1nn2cccnc2c1C(=O)N1CCCN(c2cccnn2)CC1 70017328 YGRHGGCBRMCBTF-UHFFFAOYSA-N 337.387 1.180 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cc3ccc(C)cc3[nH]2)CC1 70038927 VMUSJDNPVHHDCN-INIZCTEOSA-N 345.443 1.632 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN2CCCC[C@H]2C1 71839973 LCOUYOJGXBYHEV-HNNXBMFYSA-N 342.447 1.370 0 40 EDAB COCC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 69420869 FOSMANZTLDAWKF-CQSZACIVSA-N 340.445 1.158 0 40 EDAB COC[C@H](C)NC(=O)c1cc2c(=O)n3cc(C)ccc3nc2s1 17122401 RNNXXHYSZUYCGP-JTQLQIEISA-N 331.397 1.982 0 40 EDAB O=C1CN(C(=O)[C@@H]2CCCOC2)CCN1Cc1ccc(Cl)cc1 89787696 KIIYIQRTZAOFNS-CQSZACIVSA-N 336.819 1.937 0 40 EDAB Cc1nccn1-c1ccc(CNC(=O)N2CCOCC[C@@H]2C)cn1 91619640 WDSDGKNOVOGART-ZDUSSCGKSA-N 329.404 1.896 0 40 EDAB CS[C@H](C)C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69521497 PRPFGSBFFKSBFI-LLVKDONJSA-N 332.429 1.599 0 40 EDAB Cc1nc2n(n1)C[C@@H](N[C@@H](C(=O)N1CCCC1)c1ccccc1)CC2 69654965 FUIPVCYPSKVUFT-FUHWJXTLSA-N 339.443 1.855 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2C[C@@H](C(N)=O)c3ccccc32)c1 69738728 QEGSAIBJPUUFMJ-GFCCVEGCSA-N 334.372 1.912 0 40 EDAB C[C@H](CNS(=O)(=O)CCc1ccccc1)CN1CCOCC1 71915806 DSQFDRCSQIWRAY-OAHLLOKOSA-N 326.462 1.117 0 40 EDAB CCc1ccc(NC(=O)N2CCN(CC(=O)NCCOC)CC2)cc1 71911700 PDONVTVYBXUKHZ-UHFFFAOYSA-N 348.447 1.161 0 40 EDAB O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCO2)C1 71921991 QKCQRUZFTPNZEL-MNOVXSKESA-N 339.421 1.077 0 40 EDAB COc1ccc2ccn(CC(=O)Nc3cc(C)nn3C)c(=O)c2c1 92333329 YWMUFIMEFUUPLI-UHFFFAOYSA-N 326.356 1.691 0 40 EDAB CNc1nnc(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)s1 18588091 FSOVYEAGFYEVAD-YFKPBYRVSA-N 343.459 1.860 0 40 EDAB Cc1cc(C(=O)N2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)on1 95963677 ONGOLKAUJGUBFE-AWEZNQCLSA-N 334.420 1.140 0 40 EDAB CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1cnn(C)c(=O)c1Cl 95975491 KQNALJDOIWZPHX-GFCCVEGCSA-N 334.807 1.545 0 40 EDAB O=C(NCCc1nccs1)[C@@H]1COCC(=O)N1Cc1ccccc1 89834812 FHUXSUGCLVLKLH-AWEZNQCLSA-N 345.424 1.229 0 40 EDAB O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CC[C@H](CO)[C@@H](O)C1 72120845 ZXLUQJFNCPIQNT-CABCVRRESA-N 343.383 1.429 0 40 EDAB CN1CC[C@H](CN(C)S(=O)(=O)c2ccc(Br)cn2)C1 95961849 GWXJEARWSCORQC-JTQLQIEISA-N 348.266 1.416 0 40 EDAB Cc1cnn(CCNCC(=O)Nc2ccc(Br)cn2)c1 72253108 UADUIRYTBCJWMO-UHFFFAOYSA-N 338.209 1.577 0 40 EDAB CN(C)c1ncc(Br)cc1C(=O)NC1CCC(O)CC1 72282039 SDGSLZKZDFUYRQ-UHFFFAOYSA-N 342.237 1.943 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(Cc3nccs3)C[C@H]12)c1ccncc1 306140158 UMBGXWNSKQACIP-RRFJBIMHSA-N 344.440 1.415 0 40 EDAB CCc1nnc2n1C[C@@H](N[C@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 97199517 UJNNSVKFWCJSJI-PWSUYJOCSA-N 348.838 1.821 0 40 EDAB NC(=O)C1(NCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)CC1 84437018 GLEJHYDHJNXAKW-OAHLLOKOSA-N 347.415 1.700 0 40 EDAB CC(=O)N(C)C1CCN(C(=O)N[C@H](C)CCc2cccn2C)CC1 74744282 UJSRZAPCZUFOHN-CQSZACIVSA-N 334.464 1.999 0 40 EDAB O=C(c1ccc(OCC(F)(F)F)o1)N1CC[C@@H](c2nn[nH]n2)C1 1548761875 IWPXJUMNPBSALV-SSDOTTSWSA-N 331.254 1.364 0 40 EDAB COc1cccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1 24689860 WTCSTXPKXWZRIB-CYBMUJFWSA-N 326.418 1.239 0 40 EDAB O=C(O)[C@H](CNC(=O)N1CCOCC1)Cc1ccc(Cl)cc1 548207902 OQPAGEIIKBESMM-LBPRGKRZSA-N 326.780 1.625 0 40 EDAB Cn1nccc1C[C@H]1CCCN1C(=O)c1cc(O)nc(C2CC2)n1 1551921023 JCKYQGIEPCRYRV-CYBMUJFWSA-N 327.388 1.640 0 40 EDAB C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCOCc1ccccc1 177580650 QXMLBDNVMTXNQH-CYBMUJFWSA-N 326.418 1.032 0 40 EDAB CC[C@@H](C)[C@H](CO)NC(=O)CCc1c(C)nc2cc(O)nn2c1C 504234517 QHBUWFDSIGAPQM-YGRLFVJLSA-N 334.420 1.508 0 40 EDAB CCN(CCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1C 36397816 OUTWONSIQUMTRF-OAHLLOKOSA-N 329.444 1.948 0 40 EDAB Cc1nc(C)c(S(=O)(=O)N[C@H]2Cc3ccccc3NC2=O)s1 528542288 NTJBYEMVLBIGFD-LBPRGKRZSA-N 337.426 1.602 0 40 EDAB O=C(CCN1CCC(n2cncn2)CC1)N1CCc2ccccc2C1 188987103 NMOOHTWETXUDBT-UHFFFAOYSA-N 339.443 1.890 0 40 EDAB Cc1nn(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)c(C)c1Cl 72249920 ABSXMUYOXYDPCG-NSHDSACASA-N 326.828 1.671 0 40 EDAB O=C(CCSc1ccc2nncn2n1)N=c1[nH]c2ccccc2[nH]1 72405979 DXQYIBQUOFMXCN-UHFFFAOYSA-N 339.384 1.543 0 40 EDAB Cc1ccc([C@H](CNC(=O)NCCN2CCCC2=O)N2CCCC2)o1 568097199 VSADZGZIIZCVEC-HNNXBMFYSA-N 348.447 1.647 0 40 EDAB Fc1ccc(N2CCCN(c3nccn4nnnc34)CC2)cc1F 561346078 KPRDEKBYEWLDRQ-UHFFFAOYSA-N 331.330 1.514 0 40 EDAB Cc1ccccc1OCCSCC(=O)N[C@@H]1CCCCNC1=O 78555513 SEOFHOSQKOKVQU-CQSZACIVSA-N 336.457 1.892 0 40 EDAB Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1nc2nccc(C)n2n1 186154794 SFWDKJMOKQFQMJ-UHFFFAOYSA-N 339.281 1.746 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](C(=O)O)C2CCOCC2)cc1 562994296 WXSQUPGYZMICPU-CQSZACIVSA-N 327.402 1.401 0 40 EDAB NS(=O)(=O)NC[C@@H]1CCCN(CCCc2ccc(Cl)cc2)C1 77277423 OJUITTQIURKZEU-AWEZNQCLSA-N 345.896 1.778 0 40 EDAB CCn1nc(C)cc1CNS(=O)(=O)c1ccc(NC(C)=O)cc1 226746711 XDLLKLZVLCAYFN-UHFFFAOYSA-N 336.417 1.648 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccccc2)c1 47329389 VSAAGQFSWALAJZ-UHFFFAOYSA-N 334.397 1.921 0 40 EDAB Cc1cc2c(N)nc(=O)n(CC(=O)NCc3ccccc3)c2s1 40267635 PTIVGUMNXYBLPD-UHFFFAOYSA-N 328.397 1.665 0 40 EDAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ncn[nH]1 225723676 AVPFTHOGRCATCN-UHFFFAOYSA-N 341.297 1.012 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 96065145 IXDKEHHJWTXCSG-JKSUJKDBSA-N 340.445 1.429 0 40 EDAB C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CCC(=O)NC1 96426353 XGMVQXCBYJRMAW-MWLCHTKSSA-N 341.205 1.611 0 40 EDAB COc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nnn1Cc1ccc(C)cc1 96183379 KPMAPJHWMXZKOP-KBPBESRZSA-N 344.415 1.893 0 40 EDAB CS(=O)(=O)[C@@](Cl)(Br)C(=O)c1ccc(N)cc1 96518151 QMIFEUCKCVOBME-SECBINFHSA-N 326.599 1.784 0 40 EDAB Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2O)cc1 96111604 DZGCLABWJITLAK-KURKYZTESA-N 341.411 1.038 0 40 EDAB biogenic,in-vitro Cc1cc(CN2CCC[C@H](NS(C)(=O)=O)C2)ccc1-n1cncn1 96489796 YQQDIVPMKRDGGO-HNNXBMFYSA-N 349.460 1.089 0 40 EDAB COc1ncccc1CN1CC[C@H]2OCC[C@@]2(C(=O)NC(C)C)C1 96064817 IVZZTPAGDCTUNR-CRAIPNDOSA-N 333.432 1.596 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1cnn(C)c1)C2 96237878 FSPOYEIPWSIOHE-LJQANCHMSA-N 339.443 1.343 0 40 EDAB Cc1cc[nH]c(=O)c1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 97235094 BFHMKFIRWXIXJT-UHFFFAOYSA-N 335.301 1.342 0 40 EDAB COc1cccc(CC(=O)N2CCc3nc(C(N)=O)sc3CC2)c1 96146989 NFSVDHKCQHOJGP-UHFFFAOYSA-N 345.424 1.421 0 40 EDAB Cn1cc([C@H]2CC(=O)NC23CCN(Cc2ccccn2)CC3)cn1 96061491 LTAGLYCQORDFSH-MRXNPFEDSA-N 325.416 1.453 0 40 EDAB O=C(C1CC=CC1)N1CCCn2c(CNc3cccnc3)nnc2C1 96259634 SUEWCPXGALTBSE-UHFFFAOYSA-N 338.415 1.984 0 40 EDAB Cc1nc(C)n(C[C@@H]2CC[C@@]3(COCCN(c4ncccn4)C3)O2)n1 96100466 DAEGBTZNKNZTTR-DOTOQJQBSA-N 344.419 1.140 0 40 EDAB O=C(c1ccncc1)N1CCCn2c(CN3CCCCC3)nnc2C1 96259692 APPIASVTCTYGKZ-UHFFFAOYSA-N 340.431 1.705 0 40 EDAB CC(C)NS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)n1ccnc1 585114850 CJDUPXGMQKYNTA-CQSZACIVSA-N 342.852 1.958 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(CC2CCOCC2)Cc2cncn21 247476254 HFJNMGGNNHAOOO-KRWDZBQOSA-N 344.415 1.576 0 40 EDAB COCCNC(=O)[C@@H]1CN(Cc2sccc2C)Cc2ncn(C)c21 248000614 ALYXWFNXZZPQGE-CYBMUJFWSA-N 348.472 1.652 0 40 EDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(Cc2cc(C)on2)C3)n1 253601163 KVUHYSAIYZZMFS-HNNXBMFYSA-N 330.388 1.894 0 40 EDAB O=C(CCc1ccncc1)N1CCN(C[C@H](O)c2ccccc2)CC1 69846659 LAEQHCKKAZVKCH-IBGZPJMESA-N 339.439 1.892 0 40 EDAB c1cnc(NC[C@@H]2CCC3(CN(Cc4cccnc4)C3)OC2)nc1 253601958 GRIFBDZBRYCBAV-INIZCTEOSA-N 325.416 1.965 0 40 EDAB Cc1cccc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)n1 257225411 FGCCJDITAWMAII-HNNXBMFYSA-N 326.400 1.962 0 40 EDAB Cc1csc(C(=O)NC[C@]2(O)CCCN(c3ncccn3)C2)c1 257315767 VCRRVSKLNBDSKS-MRXNPFEDSA-N 332.429 1.608 0 40 EDAB CCc1nnsc1C(=O)N1CCOC[C@@H](Cc2cc(C)ncn2)C1 257314662 UXYNBYLOGREWRS-LBPRGKRZSA-N 347.444 1.530 0 40 EDAB Cc1cnc(C(=O)NCc2cnc(C)nc2[C@H]2CCCN2C)cn1 257335158 YIXNDCJOQCSHHB-OAHLLOKOSA-N 326.404 1.580 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)c2cccs2)C1 257209121 BPDHYVFUZZZBAQ-JTQLQIEISA-N 339.442 1.895 0 40 EDAB C[C@@H]1COC(=O)N1c1cccc(C2CCN(S(C)(=O)=O)CC2)n1 257281964 ORTKGRODIBYQIB-LLVKDONJSA-N 339.417 1.566 0 40 EDAB CNC(=O)c1cn[nH]c1[C@]1(C)CCCN(C(=O)c2ccncc2C)C1 257240312 HSZCHEAJIJKXIY-GOSISDBHSA-N 341.415 1.667 0 40 EDAB CN1C[C@H](NC(=O)NC(C)(C)COCc2ccccc2)CCC1=O 252501569 UHLAXDMXQQALFU-OAHLLOKOSA-N 333.432 1.902 0 40 EDAB O=C1CN(CC(=O)Nc2cccc([C@H](F)C(F)(F)F)c2)CCN1 1615586906 RZKQRONIIKAOFT-ZDUSSCGKSA-N 333.285 1.630 0 40 EDAB COC[C@]1(C(=O)O)CCCN1C(=O)[C@@H]1C[C@]12CCc1ccccc12 643853412 ZMXNTRJEPYREBW-SNRMKQJTSA-N 329.396 1.983 0 40 EDAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)Cn2cccnc2=O)cc1 585276972 QRBDHVWIUPJGTE-IRXDYDNUSA-N 341.411 1.146 0 40 EDAB O=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)[C@H]1[C@H]2COC[C@H]21 585110641 ROAHYHZATRAAII-AFIMGQEJSA-N 328.412 1.124 0 40 EDAB Cn1cnc2c1C[C@@H](CO)N(S(=O)(=O)c1ccccc1Cl)C2 585094707 IRPLMNAQNIQQDC-JTQLQIEISA-N 341.820 1.181 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@@H]2CCO[C@@H]12 585109279 GBEMIYVWYCAXAS-INMHGKMJSA-N 332.375 1.263 0 40 EDAB Cc1cc(CN2CC3(C[C@@H](COCc4ccncc4)CN3C)C2)n[nH]1 585093891 NARGAQCPZSBZTK-QGZVFWFLSA-N 341.459 1.836 0 40 EDAB C[C@]1(C(N)=O)CCCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C1 585283257 MNZKDXZAIAVXEF-SFHVURJKSA-N 349.450 1.744 0 40 EDAB CCc1ccc(CN2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)cc1 585113053 YATUESYLEWZMQG-KRWDZBQOSA-N 348.472 1.552 0 40 EDAB CCOc1ncnc2c1CN([C@H](C)C(=O)Nc1cc(C)on1)CC2 65466738 UQHSRTAUJOWALJ-LLVKDONJSA-N 331.376 1.557 0 40 EDAB CC(=O)N[C@@H](C)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 69591199 OXINGNFKLRWNGC-ZETCQYMHSA-N 337.273 1.824 0 40 EDAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCO2)NC[C@@H]1CCCO1 69533638 XWMVTXNPAMISSY-LSDHHAIUSA-N 332.400 1.847 0 40 EDAB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCC1 69594641 CSGAZKWHGYHZLX-CQSZACIVSA-N 342.486 1.755 0 40 EDAB CN(C(=O)Cn1ccc(=O)n(C)c1=O)[C@H]1CCCc2ccccc21 32969102 CQJGHMQOCHEEOL-HNNXBMFYSA-N 327.384 1.083 0 40 EDAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)Nc1nncs1 43130335 BBUMKHRBQOZBCF-ZDUSSCGKSA-N 333.417 1.561 0 40 EDAB CSc1nnnn1-c1cccc(NC(=O)NC2CCC(O)CC2)c1 58095949 NPDSJGUIFKLABY-UHFFFAOYSA-N 348.432 1.809 0 40 EDAB COc1ccc(CC(=O)N2CCN(C(=O)Nc3cn[nH]c3)CC2)cc1 58266325 ZEFIKSDVYWFDEW-UHFFFAOYSA-N 343.387 1.337 0 40 EDAB COc1ccc(CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1OC 96365375 CZGGNBCUYQCELJ-GFCCVEGCSA-N 342.417 1.032 0 40 EDAB CCOc1ccccc1NC(=O)C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O 13482190 XHQDEPANIZFUCC-VNHYZAJKSA-N 331.416 1.813 0 40 EDAB CC(C)NS(=O)(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 13585639 JDEHPYIHTUSXPQ-UHFFFAOYSA-N 328.415 1.412 0 40 EDAB Cc1cc(C)n2nc(C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)nc2n1 14001602 MXTPXVFOPIXWJO-LBPRGKRZSA-N 347.419 1.837 0 40 EDAB Cc1ccc2occ(CN3C[C@H]4C[C@@H](O)CN4C[C@H]3C)c(=O)c2c1 19219822 DJUKZDXNQNBIMR-FVQBIDKESA-N 328.412 1.741 0 40 EDAB COCCNC(=O)c1cc([C@H]2CCCN(Cc3cccnc3)C2)no1 19593559 RCCHNNRYOCWZSV-HNNXBMFYSA-N 344.415 1.825 0 40 EDAB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1O 8106736 PVPNLFXNVHNKNR-UQCOIBPSSA-N 340.133 1.265 0 40 EDAB COc1ccc(CCC(=O)NC2CN(c3nnc(C)s3)C2)cc1 1888856542 RJVQKMJAZRRZTL-UHFFFAOYSA-N 332.429 1.793 0 40 EDAB Cc1ccc(CNC(=O)CN2CC[C@@H](C(=O)NC(C)(C)C)C2)cc1 1888928947 GRQZFUBLKQJNDQ-MRXNPFEDSA-N 331.460 1.848 0 40 EDAB Cn1cc(S(=O)(=O)NCCc2ccc(-c3ccnn3C)cc2)cn1 1889212084 GHKYCAGIWCGTOG-UHFFFAOYSA-N 345.428 1.342 0 40 EDAB COC[C@H](C)NC(=O)c1cn(-c2ccc(Br)cc2)nn1 25042269 PREVXKQFZDSLIV-VIFPVBQESA-N 339.193 1.795 0 40 EDAB Cc1cc(OC(C)(C)C(=O)N[C@@H]2CC[C@@H](O)[C@@H]2O)ccc1Cl 2037885159 SEPXRFNCCFYDQE-MGPQQGTHSA-N 327.808 1.806 0 40 EDAB CC(=O)N1CC(Nc2ccc(I)cc2)=CC1=O 96336079 IUHHXDKXVLYFAE-UHFFFAOYSA-N 342.136 1.976 0 40 EDAB C=CC(=O)Nc1cc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)ccc1F 1587599068 UIQXNQBBFSJRAU-SNVBAGLBSA-N 338.360 1.837 0 40 EDAB CCCC[C@H](Sc1nc(=O)[nH]c(C)c1C(=O)OCC)C(=O)O 5251658 QMGIFDMMARWGIX-VIFPVBQESA-N 328.390 1.991 0 40 EDAB NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccccc1 6805012 MLYTYMSOKRMNTK-UHFFFAOYSA-N 326.381 1.417 0 40 EDAB COc1ccc(CCNC(=O)CSc2nc(=O)[nH]cc2C)cc1 9808910 HABNPXXVWGBCIO-UHFFFAOYSA-N 333.413 1.538 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4ccncc4)[C@@H]3C2)o1 2055750832 CPIARIBEPGIODN-WBVHZDCISA-N 327.384 1.708 0 40 EDAB Cn1cccc1[C@@H](O)CNC(=O)CCS(=O)(=O)c1ccccc1 75155075 DKQLAJHFMKUNKH-HNNXBMFYSA-N 336.413 1.039 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](O)c1cccs1 77183207 FFKMYRMISRHLJY-GFCCVEGCSA-N 334.397 1.223 0 40 EDAB O[C@@H](CNC[C@H]1COc2ccccc2O1)COc1ccccc1F 7653962 KLUNJYXSFMNMHE-KBPBESRZSA-N 333.359 1.995 0 40 EDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)C3CC3)C2)n(C(C)C)n1 2332241471 UTIZFTVODFHPFL-BFHYXJOUSA-N 336.436 1.529 0 40 EDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC3CCN(C)CC3)C2)n(C(C)C)n1 2332241642 REZYUALHGTWVJN-USXIJHARSA-N 335.496 1.848 0 40 EDAB CN1CCN(C(=O)CCNC(=O)c2ccco2)[C@@H](c2ccccc2)C1 30029402 FDQNKAQYUNAMNY-MRXNPFEDSA-N 341.411 1.915 0 40 EDAB Nc1nc(=O)n(CCN2CCOCC2)c2sc3c(c12)CCCCC3 40286205 LBYVAGBFIDUXEA-UHFFFAOYSA-N 348.472 1.641 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cn2)n1 31216345 VLALRDLIAYKANU-CYBMUJFWSA-N 339.399 1.834 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(Cc2cnn(-c3ccccc3)n2)CC1 40540118 ZGRVCRCVVAREPA-KRWDZBQOSA-N 341.415 1.091 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCN(Cc2cc(C)no2)CC1 40511331 GNPSVVDGSDQOKJ-UHFFFAOYSA-N 330.454 1.077 0 40 EDAB CS(=O)(=O)NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 40544114 HNFSCRJRCGGRHS-UHFFFAOYSA-N 333.413 1.966 0 40 EDAB CC(C)(C)C(=O)NCCC(=O)NCc1ccc(-n2ccnc2)nc1 31910199 LVQQBINGUFPDCK-UHFFFAOYSA-N 329.404 1.436 0 40 EDAB CN(C(=O)CCCc1nc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 32149060 WYJALADIRAQVRP-LBPRGKRZSA-N 336.413 1.796 0 40 EDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1=NN(C)C(=O)CC1 32210213 RSBATUBQRGBOJA-GFCCVEGCSA-N 340.387 1.395 0 40 EDAB O=C(Cn1cccn1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 32492497 ILRJQKFZCAEYBA-UHFFFAOYSA-N 348.428 1.696 0 40 EDAB C[C@@H]1CN(C(=O)COC(=O)c2ccc3c(c2)OCCCO3)CCO1 32865218 GAHVOCJFKLQWGG-GFCCVEGCSA-N 335.356 1.252 0 40 EDAB O=C(NCCc1cccc(Cl)c1)NC[C@@H]1CCS(=O)(=O)C1 32803251 WBHUGDRJCSDVNZ-LBPRGKRZSA-N 330.837 1.616 0 40 EDAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 52659880 CGZWNQZTKJOLST-XJKSGUPXSA-N 349.406 1.476 0 40 EDAB CC(C)[C@H](C(=O)NCc1ccncc1)n1nnc2ccccc2c1=O 9061186 RGKSZPJJXDKUHL-MRXNPFEDSA-N 337.383 1.700 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCN(C[C@@H]2CCOC2)CC1 47700420 PWZCFNCQBIUGRD-ZDUSSCGKSA-N 328.409 1.169 0 40 EDAB CC(C)c1ccc2cc(C(=O)NC3CCN(CC(N)=O)CC3)[nH]c2c1 42360934 DIYOXLBIUBECJG-UHFFFAOYSA-N 342.443 1.971 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 78941259 KDDYCTBDMVVJJN-KBPBESRZSA-N 339.403 1.913 0 40 EDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cnn(Cc2ccccc2)c1 79042164 FCVBYPXGKOVZTE-AWEZNQCLSA-N 349.456 1.827 0 40 EDAB Cc1cccc2c(=O)[nH]c(Cn3nnn(-c4ccccc4)c3=O)nc12 23107051 JEJSUKLNJLVORW-UHFFFAOYSA-N 334.339 1.022 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)cc1OC 23386298 YYCVFIIJWPWVLX-CQSZACIVSA-N 345.399 1.976 0 40 EDAB CCOCCCNC(=S)Nc1cnn(Cc2cnn(CC)c2)c1 2727408 YBOCUIHCSWHRRZ-UHFFFAOYSA-N 336.465 1.861 0 40 EDAB CC(C)(CNC(=O)Cc1coc2cc(O)ccc12)N1CCOCC1 23673991 RALPGNXYOMNXQS-UHFFFAOYSA-N 332.400 1.908 0 40 EDAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 24051158 HVOWCOFATTWNBL-LLVKDONJSA-N 347.396 1.699 0 40 EDAB COC(=O)C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc(C)cc1 24492993 AZUUFNAJQQWGKX-CQSZACIVSA-N 331.372 1.324 0 40 EDAB Cn1cc(CN2CCC[C@@]3(C[C@@H](Oc4ncccn4)CO3)C2)cn1 107228224 JBCTUKLDMJBKBV-NVXWUHKLSA-N 329.404 1.413 0 40 EDAB CC(C)(O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O 84668123 WPDXBMDOHNSPHA-HNNXBMFYSA-N 328.315 1.826 0 40 EDAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(N)=O)c1=S 8089939 LADFPQQYKIGNEU-UHFFFAOYSA-N 333.417 1.158 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1OCC 8558244 IDVRJZNCCMRGLF-UHFFFAOYSA-N 328.434 1.420 0 40 EDAB CCc1c(C(=O)NCCCNC(C)=O)cnn1-c1ccc(F)cc1 24909657 UWZCGRWRHPJMKW-UHFFFAOYSA-N 332.379 1.830 0 40 EDAB COc1ccccc1N1CCN(C(=O)NCCn2ccnc2)CC1 43310436 HJGNLGWEYNITKE-UHFFFAOYSA-N 329.404 1.424 0 40 EDAB C[C@H]1CCCN(C(=O)CNc2cccc(OCC(=O)N(C)C)c2)C1 55871850 DYDJYXRQSUVRIJ-AWEZNQCLSA-N 333.432 1.824 0 40 EDAB O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 107049172 GFJRATWSEXZUIY-JOCBIADPSA-N 332.419 1.987 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN([C@H](C)C(=O)Nc3ncccn3)CCO2)n1 107141180 IDKHJXDIZJVOQM-NEPJUHHUSA-N 345.407 1.119 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)CCc1cc(OC)cc(OC)c1 61986232 LIHWGXFTMKHIMF-MRXNPFEDSA-N 336.432 1.913 0 40 EDAB CCN(Cc1ccco1)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 47929509 CAPLUTICFWOCPC-CHWSQXEVSA-N 328.434 1.136 0 40 EDAB COc1ccc(Br)cc1CC(=O)N[C@H](C)CC(=O)O 95425015 UJLGZFVQDUDMBK-MRVPVSSYSA-N 330.178 1.980 0 40 EDAB CCC[C@H]1CN(C(=O)NCc2cn(-c3ccccc3)nn2)CCO1 95442759 KYZXJHYHLWHCRX-INIZCTEOSA-N 329.404 1.978 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nc2ncccn2n1 10074278 LIOYHDNQSNZHTI-QWRGUYRKSA-N 348.432 1.621 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cn(C)c3ccccc3c2=O)CC1 22234218 IVBYGVGQDKKYCF-UHFFFAOYSA-N 343.383 1.453 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)c1cccn1C 27542778 QASLJGAKUCRNMY-GFCCVEGCSA-N 335.429 1.548 0 40 EDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 62119864 KZQOEFKQSVOJCK-QMMMGPOBSA-N 334.191 1.544 0 40 EDAB Cc1cnc2c(S(=O)(=O)N[C@@H](C)C(=O)N3CCCC3)cccc2c1 58201222 KWNBPTQWWBVFHU-ZDUSSCGKSA-N 347.440 1.832 0 40 EDAB Cc1cccc([C@@H]2CCCN2CC(=O)N2CCC(C(N)=O)CC2)c1 48291004 TXGVQIDYPVLQJA-KRWDZBQOSA-N 329.444 1.856 0 40 EDAB CC(=O)N1CCC(NC(=O)CN(Cc2ccsc2)C2CC2)CC1 58209259 ARDMQJSAKZAENJ-UHFFFAOYSA-N 335.473 1.840 0 40 EDAB O=C1CCc2cc(OCC(=O)N(C[C@H]3CCOC3)C3CC3)ccc2N1 44940965 NFGCUDMEPLFKTN-CYBMUJFWSA-N 344.411 1.978 0 40 EDAB CCn1cc(NC(=O)C2CCN([C@H](C)C(=O)NC(C)(C)C)CC2)cn1 58340993 VHBLGRGOJFAROT-CYBMUJFWSA-N 349.479 1.857 0 40 EDAB O=C(Cc1coc(-c2ccccc2)n1)NC[C@@H]1CN2CCC[C@@H]2CO1 58403800 KWOWXBFFNBMYFY-IAGOWNOFSA-N 341.411 1.864 0 40 EDAB CC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3373147 HBXBBSCEAWTGHP-UHFFFAOYSA-N 327.292 1.822 0 40 EDAB C[C@H](NC(=O)NCc1cccc(CN2CCCC2)c1)c1nncn1C 45976849 JPASMMYTCNCPLF-AWEZNQCLSA-N 342.447 1.971 0 40 EDAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc(C2CC2)no1 29434478 PWPQHBAEJYLDKR-SECBINFHSA-N 334.401 1.546 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)[C@@H]1CCCO1 28284598 GICZJQQUPQBPRS-AWEZNQCLSA-N 347.396 2.000 0 40 EDAB CNC(=O)c1ccc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1 12858466 TYCAAQLQQRIRRR-NSHDSACASA-N 343.435 1.072 0 40 EDAB O=C(CCC(F)(F)F)NC[C@@H](O)CN1CCc2ccccc2C1 95431024 RZGRAPIKFWEUHS-CQSZACIVSA-N 330.350 1.864 0 40 EDAB CCOc1cc(C(=O)CCC(=O)OCC(=O)NC2CC2)ccc1O 3414273 NQOUFZCHTBOHTC-UHFFFAOYSA-N 335.356 1.576 0 40 EDAB CCCCCCNC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 12925977 VNLCQUTWYIIABS-UHFFFAOYSA-N 342.461 1.921 0 40 EDAB c1nc(N2CCCC2)ncc1CNCc1nnc2n1CCCCC2 48682979 QRBUTXOXJUJZQQ-UHFFFAOYSA-N 327.436 1.685 0 40 EDAB CC(C)N1CC[C@@H](Nc2cnn(CC(=O)NC3CCCC3)c2)C1=O 97140048 FAELCPAEHHYKNV-OAHLLOKOSA-N 333.436 1.363 0 40 EDAB CCOc1cc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)ncn1 97163596 INOFSQLMGIPEFU-JTQLQIEISA-N 332.326 1.770 0 40 EDAB COc1ccc(C(=O)N2CCCN(C[C@H](O)C(F)(F)F)CC2)cc1 97141613 QWGLYHJIPBKTFX-AWEZNQCLSA-N 346.349 1.766 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)N=c1[nH]c2ccccc2[nH]1 5206425 NKUSDGFWKKLDQJ-UHFFFAOYSA-N 333.351 1.724 0 40 EDAB COc1cccc(NC(=O)COC(=O)c2ccccc2NCCO)c1 5279015 FLGUJSKFUSUBEF-UHFFFAOYSA-N 344.367 1.895 0 40 EDAB Cc1cc(C)c(CNC(=O)N2CCN(Cc3ccco3)CC2)c(=O)[nH]1 65537526 XBTUXORIHVBOIR-UHFFFAOYSA-N 344.415 1.612 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CCC[C@H](c3ccccc3)CC2)CC1 65623253 UMXRHBFBKQKRHP-IBGZPJMESA-N 343.471 1.947 0 40 EDAB O=C1OCC[C@H]1Sc1nnnn1-c1ccc(OC(F)(F)F)cc1 5796841 OJRGXFUUAWHGMZ-SECBINFHSA-N 346.290 1.969 0 40 EDAB COC(=O)CN(Cc1ccccc1)S(=O)(=O)N(C)[C@H](C)C1CC1 66912071 ZRALWHFILZNDAQ-CYBMUJFWSA-N 340.445 1.637 0 40 EDAB CN(CC(=O)N1CCN(c2ncccn2)CC1)Cc1ccc(F)cc1 6976722 IDESRLYDDYFKFK-UHFFFAOYSA-N 343.406 1.396 0 40 EDAB CC(C)(C)OC(=O)CSc1nc2cc(F)ccc2c(=O)n1N 71768814 PWKIOTPZLISPMF-UHFFFAOYSA-N 325.365 1.683 0 40 EDAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)NCc1cnc(N(C)C)n1C 95413602 WHIWKOJRGRQNNL-DGCLKSJQSA-N 335.408 1.391 0 40 EDAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)c3ccccc3C2=O)c1 7137176 UNVHCIRWTCRUNF-AWEZNQCLSA-N 339.347 1.925 0 40 EDAB Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)[C@@H]2CCC(=O)N2)cc1 96431933 KHYJHSYYTGIAAH-SJORKVTESA-N 330.428 1.824 0 40 EDAB Cc1ccsc1S(=O)(=O)N1CC[C@@]2(CCCN(C)C2=O)C1 67675420 RLKPGOKAKYLPLV-AWEZNQCLSA-N 328.459 1.690 0 40 EDAB C[C@@H](CCN1CCOCC1)NC(=O)c1cn(Cc2cccs2)nn1 96431049 PTIHNHMYORKANJ-ZDUSSCGKSA-N 349.460 1.229 0 40 EDAB CCc1ccc(-c2cc3c(=O)n(CC(=O)NC(C)C)ncn3n2)cc1 15772676 UUOKKCSQDAFNAK-UHFFFAOYSA-N 339.399 1.645 0 40 EDAB O=C(Cn1nnc2ccccc21)N[C@H]1CC(=O)N(Cc2ccccc2)C1 71847720 AEMWTPIQZYWSKE-HNNXBMFYSA-N 349.394 1.349 0 40 EDAB CCCC(=O)N1CCCC[C@H]1C(=O)/N=c1/[nH]nc(-c2ccoc2)[nH]1 71888477 FRXSBQAMEVYXFZ-LBPRGKRZSA-N 331.376 1.606 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)on1 71858715 BBXPHVQMXKYMHR-KRWDZBQOSA-N 327.384 1.631 0 40 EDAB CN(C)CCCNC(=O)c1cc(Br)c2c(c1)OCCO2 71850067 PYEOADLLXKJGSQ-UHFFFAOYSA-N 343.221 1.902 0 40 EDAB CCCc1noc2ncc(C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)cc12 71830081 SZCZLGZZOWRHEF-WDEREUQCSA-N 330.388 1.901 0 40 EDAB O=C1CC2(CCCCC2)C(=O)N1Cn1nnc2ccccc2c1=O 8253027 GIVUQFKWAPOZCR-UHFFFAOYSA-N 326.356 1.458 0 40 EDAB O=S(=O)(C[C@H]1CCCO1)NCCNc1ccc2ccccc2n1 70003657 WTAIKQFOZMZVCJ-CQSZACIVSA-N 335.429 1.745 0 40 EDAB CN(Cc1nc(-c2ccccn2)no1)[C@H](C(N)=O)c1cccc(F)c1 71908263 COGLUIQASWJZDN-HNNXBMFYSA-N 341.346 1.929 0 40 EDAB CC(C)Oc1ccc2nnc(CCC(=O)Nc3ccccn3)n2n1 72402935 KEHLQKRYLLNLGT-UHFFFAOYSA-N 326.360 1.878 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cn1 95433310 ITPKZLPNECPWKP-HOCLYGCPSA-N 335.429 1.697 0 40 EDAB CC[C@@H]1CN(C(=O)NCCS(=O)(=O)Cc2ccccc2)CCO1 69455554 VTCQHGPLQCKYNW-OAHLLOKOSA-N 340.445 1.422 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2cnn(-c3ccccc3)n2)CC1 69489521 VYIZNKHFMZWALR-OAHLLOKOSA-N 329.448 1.450 0 40 EDAB COC(=O)[C@@H](CNC(=O)CCOCC(C)C)Cc1ccc(O)cc1 69455611 CXLIGHGIRCDLPO-OAHLLOKOSA-N 337.416 1.903 0 40 EDAB Cc1ccsc1CNC(=O)CN1CCN(c2nccs2)CC1 69518057 QRMJHEYIRXRJNH-UHFFFAOYSA-N 336.486 1.951 0 40 EDAB Cn1ccc(C(=O)NCC(=O)Nc2cccc3ccccc23)cc1=O 69591385 GVSFTAVQKBUONN-UHFFFAOYSA-N 335.363 1.907 0 40 EDAB NC(=O)CN1CCCN(C(=O)/C=C/c2cccc3ccccc23)CC1 69536848 LIOQFBWMLUNWJP-MDZDMXLPSA-N 337.423 1.873 0 40 EDAB CCN1CCCC[C@H]1C(=O)N1CCCN(c2ccc(C)nn2)CC1 69517958 YHCIQDUDNHURNL-INIZCTEOSA-N 331.464 1.698 0 40 EDAB NC(=O)COc1cccc(CN2CCC[C@H](Cn3cncn3)C2)c1 69662619 NIGDQTYWVOBTOA-HNNXBMFYSA-N 329.404 1.054 0 40 EDAB COc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cn1 8512883 OVENLDQDDPSUOR-UHFFFAOYSA-N 344.323 1.292 0 40 EDAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CCS(=O)(=O)C1 17635411 BOAYHJYKPZBFNC-CYBMUJFWSA-N 332.425 1.697 0 40 EDAB CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1cccs1 8683756 NJOSJBPDEMXBAU-SNVBAGLBSA-N 333.369 1.519 0 40 EDAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]12 18212284 LJIVJJIPUXDHPN-GHMZBOCLSA-N 335.747 1.029 0 40 EDAB CN1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 18210782 LIMGVNFMDJISKX-UHFFFAOYSA-N 349.862 1.966 0 40 EDAB O=S(=O)(N[C@H]1CCCn2ncnc21)c1cccc(Cl)c1F 97013289 YZDWKWBKISXPMH-VIFPVBQESA-N 330.772 1.884 0 40 EDAB CCc1nnc([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)o1 97033223 JSWAHSQJIHGSPK-GHMZBOCLSA-N 338.433 1.952 0 40 EDAB O=C([C@H](O)c1ccccc1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 95979578 FJCUCZKSGBZJOF-UWWQBHOKSA-N 328.412 1.722 0 40 EDAB C[C@H]1CN(C(=O)c2ccncc2I)C[C@@H](C)O1 95992131 CNRKNYGICQASDR-DTORHVGOSA-N 346.168 1.936 0 40 EDAB COC[C@H](NC(=O)NCc1nnc2ccccn12)c1ccc(C)o1 89652553 SDDGHNRQFMVHJS-LBPRGKRZSA-N 329.360 1.818 0 40 EDAB NC(=O)c1ccc(NC(=O)N2CCCC3(C2)OCCO3)cc1Cl 89769855 ZILBEIKLFWIAKS-UHFFFAOYSA-N 339.779 1.810 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1nc(C(C)(C)C)cs1 89913556 XYSVCZBONFWGQD-UWVGGRQHSA-N 345.490 1.988 0 40 EDAB COc1c(C(=O)N2CC[C@@H](C(N)=O)C2)sc(C)c1Br 76065716 FCZRDQMTFBHQFT-SSDOTTSWSA-N 347.234 1.775 0 40 EDAB CSc1ccc(N2C[C@@H](C(=O)NCCNC(C)=O)CC2=O)cc1 25342099 YPPPLVDKZNRTBK-LBPRGKRZSA-N 335.429 1.014 0 40 EDAB CC(=O)c1cc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)n(C)c1 112060843 MMDJNVSDFOZURU-OAHLLOKOSA-N 330.388 1.274 0 40 EDAB CC(=O)N1CCN(C(=O)c2cc3c(nc4sccn43)s2)CC1 36684333 ATCDLDAHHSPWEK-UHFFFAOYSA-N 334.426 1.915 0 40 EDAB CC1(C)C[C@@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CCO1 525504 QHHWCSVBSCFMCZ-ILXRZTDVSA-N 330.428 1.999 0 40 EDAB biogenic CC[C@H](C)NS(=O)(=O)c1ccc(NCCCOC)c(C(=O)O)c1 217559312 GTQZXBRYAMWBIP-NSHDSACASA-N 344.433 1.910 0 40 EDAB Cc1sc(-n2cnnn2)c(C(=O)NC[C@H](O)c2ccccc2)c1C 36358634 SOTCERDCZKLGCO-ZDUSSCGKSA-N 343.412 1.804 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1 562994295 WXSQUPGYZMICPU-AWEZNQCLSA-N 327.402 1.401 0 40 EDAB COc1ccc(N2Cc3nc(N4CCC(O)CC4)ncc3C2=O)cc1 72260018 HCHWKZVNYRKXRS-UHFFFAOYSA-N 340.383 1.607 0 40 EDAB Cn1c(C(F)(F)F)nn(CCNC(=O)NCc2cccs2)c1=O 85555790 ABTWRWSEVDZJGC-UHFFFAOYSA-N 349.338 1.162 0 40 EDAB C[C@](O)(CNC(=O)C(=O)Nc1cc(F)ccc1F)c1cccs1 75155932 TVNQKKBGWOLTAR-HNNXBMFYSA-N 340.351 1.989 0 40 EDAB CNS(=O)(=O)CCC[S@](=O)Cc1ncc(Cl)cc1Cl 195579439 RSYOVCYYUYMAIZ-SFHVURJKSA-N 345.273 1.576 0 40 EDAB Cc1nn(C)c(C)c1OCC(=O)NCc1noc(-c2ccsc2)n1 195538719 INRDTPPOASVRQM-UHFFFAOYSA-N 347.400 1.844 0 40 EDAB CC(C)S(=O)(=O)CC(=O)N1CCC(Oc2ncccc2F)CC1 330950078 CZEWHADOIOTBNX-UHFFFAOYSA-N 344.408 1.414 0 40 EDAB CS(=O)(=O)N[C@@H](CC(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 225945241 SGQJYAOBSOMZEZ-KGLIPLIRSA-N 344.408 1.101 0 40 EDAB Cc1ccc(N2CCC[C@]3(CN(C(=O)NC4CC4)CCO3)C2)nn1 96074853 SRBXIKKSGPNXLE-QGZVFWFLSA-N 331.420 1.328 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)N2CCC(=C3CC3)CC2)cc1 238812497 AQJDFWXUGMHCAX-UHFFFAOYSA-N 336.413 1.426 0 40 EDAB O=C(Cc1ccccc1)N1Cc2nccn2C[C@H](Cn2cncn2)C1 96188628 FSIYQDDJQRXLAL-INIZCTEOSA-N 336.399 1.376 0 40 EDAB O=C(c1ncccn1)N1CC[C@H](Oc2ncccc2Br)C1 238940870 VZEHMOUUOFKVHJ-JTQLQIEISA-N 349.188 1.928 0 40 EDAB Cc1nc(N2CCCC2)nc2c1CCN(Cc1cnn(C)c1)CC2 96254729 VWZFPAYEHUWUKU-UHFFFAOYSA-N 326.448 1.720 0 40 EDAB COCC1(CC(=O)N(Cc2nccn2C)[C@H]2CC23CCNCC3)CC1 579714562 GIVMRLFITWTDRE-HNNXBMFYSA-N 346.475 1.708 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[C@@H](N(C)C)C1 96502209 JINIYLQHTJDYGP-HUUCEWRRSA-N 342.509 1.917 0 40 EDAB Cc1cnc(N2CCOC[C@]3(CCN(c4ccccn4)C3)C2)nc1 96202251 GPZHVKPOEZKRJJ-SFHVURJKSA-N 325.416 1.913 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC2(CC1)COCCN(c1ncccn1)C2 96240017 VEVYWXSMPICEOL-HNNXBMFYSA-N 346.431 1.101 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)N3Cc4cncnc4C3)CC2=O)cc1 96098281 WVVKAFFSORUEOT-LBPRGKRZSA-N 338.367 1.381 0 40 EDAB COCC(=O)N1CC[C@H]2OCCC[C@]2(COCc2cccc(C)n2)C1 96040163 MGZQOEZALZEQEH-IEBWSBKVSA-N 348.443 1.951 0 40 EDAB Cn1cccc1CNC(=O)C1CCN(c2ncnc3[nH]cnc23)CC1 95478773 HAQDQCQDUREJHI-UHFFFAOYSA-N 339.403 1.224 0 40 EDAB Cn1cc(CN2CCC[C@]3(CCN(S(=O)(=O)C4CC4)C3)C2)cn1 96047001 WJIWDQHJCXELJP-INIZCTEOSA-N 338.477 1.200 0 40 EDAB COc1cc(N2CC3(C[C@H](Oc4cnccn4)CCO3)C2)ncn1 247868195 BVDUDVBFXZPNTI-GFCCVEGCSA-N 329.360 1.092 0 40 EDAB Cc1cc(CN2CC3(C2)OCC[C@@H]3COc2ccccn2)n(C)n1 248013289 FNLHIGFTECVPCD-OAHLLOKOSA-N 328.416 1.793 0 40 EDAB CN(C)C[C@H]1CN(C(=O)CCOc2ccccc2)Cc2ccnn2C1 248129780 PYHODYKNBJKLEP-INIZCTEOSA-N 342.443 1.872 0 40 EDAB COCC[C@@H]1CCOC12CN(C(=O)COc1ccccc1OC)C2 247908043 XOPOCYAUBIHXOZ-CQSZACIVSA-N 335.400 1.728 0 40 EDAB O=C(NC[C@H]1CCCO1)C1=NO[C@]2(CCN(Cc3cccnc3)C2)C1 247510966 SXSUUYVHKASKHN-CRAIPNDOSA-N 344.415 1.098 0 40 EDAB CNC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(C)s2)nn1 585129353 GUDCUTPULXDNQT-UHFFFAOYSA-N 326.403 1.315 0 40 EDAB C=C=CCNC(=O)c1cnc(C2=NC(=O)[C@@](C)(C(C)C)N2)c(O)c1 585121527 RQWISOZPOIXHSB-QGZVFWFLSA-N 328.372 1.149 0 40 EDAB CCOC[C@H](NC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)C(C)C 585132262 RNPDXJKDUOUWKS-AXFHLTTASA-N 345.383 1.387 0 40 EDAB CC1=C(C)C(=O)N(CCC(=O)NCCOC2CCCCCC2)C1=O 585129596 OYESZNSCXDZTDI-UHFFFAOYSA-N 336.432 1.937 0 40 EDAB CNC(=O)c1cccc([C@@H]2CNCCN2C(=O)c2cccc(F)c2)c1 257269062 MOKNBUCPMVYPGN-KRWDZBQOSA-N 341.386 1.972 0 40 EDAB COc1ccc(C(=O)N2CCOC[C@H](Cc3cnccn3)C2)cc1 257295155 QXEURAFODKIVPI-CQSZACIVSA-N 327.384 1.817 0 40 EDAB CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1C(=O)Cc1ccccc1 257282154 OSOGBOIGGXHACV-IBGZPJMESA-N 338.411 1.625 0 40 EDAB COc1cc(CCC(=O)N2CCC[C@H]2c2cncc(N(C)C)n2)on1 257276975 NVYCIZCWANXCMV-AWEZNQCLSA-N 345.403 1.836 0 40 EDAB Cc1cncc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)c1 252508253 XIGRBQWGUKAGMI-GDBMZVCRSA-N 330.432 1.110 0 40 EDAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CNC)CCO2)n1 257342662 ZPQAHRLAIIHGHW-MRXNPFEDSA-N 344.415 1.727 0 40 EDAB Cn1cnc(C(=O)N2CCOC[C@H](Cc3nccn4cccc34)C2)c1 257266347 MCPDXECYRNNVBS-CQSZACIVSA-N 339.399 1.399 0 40 EDAB CNC(=O)c1cnn2c(C3CCN(c4ncccn4)CC3)ccnc12 257323381 WJXWRVJOHJJZQG-UHFFFAOYSA-N 337.387 1.263 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccccc3C)C2)ncn1 257257029 KNVFECKABUDAIF-LJQANCHMSA-N 340.427 1.855 0 40 EDAB CCCS(=O)(=O)NC[C@H](Cc1cccc(F)c1)N1CCNC1=O 85467793 JBQCIAMTOGLMPY-AWEZNQCLSA-N 343.424 1.091 0 40 EDAB Cc1cc(C)nc(C[C@@H]2COCCN(C(=O)c3ccncc3)C2)n1 257298834 RNLIFRSDRZGDOO-HNNXBMFYSA-N 326.400 1.820 0 40 EDAB Cc1ncsc1C(=O)N1CCC[C@]1(C(=O)N(C)C)c1cnccn1 257324875 WQNYYFGWXAMSJT-MRXNPFEDSA-N 345.428 1.461 0 40 EDAB O=C(Cc1ccccc1F)N1CCN(c2nnc(C3CC3)o2)CC1 276267054 NNCRSCVIJVWOOZ-UHFFFAOYSA-N 330.363 1.977 0 40 EDAB CC(C)C[C@](C)(CC(=O)O)C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 634919958 YUKNGHZERVNVRI-XYPHTWIQSA-N 327.421 1.920 0 40 EDAB CN(CCCO)S(=O)(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 1615586030 PDZBBFWNWQFTMQ-OLZOCXBDSA-N 348.262 1.949 0 40 EDAB Cc1cnc([C@H](C)NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C)C2)s1 1615614530 IGFUGKNMTWLGKA-WDMOLILDSA-N 343.474 1.589 0 40 EDAB O=C(NC1CCC1)[C@H]1CN(C(=O)c2cccc(F)c2)[C@@H]2CCO[C@H]12 585109684 ZWYVAVLROVYAMH-ARFHVFGLSA-N 332.375 1.724 0 40 EDAB O=C(CCCn1ccnc1)N1CC[C@](O)(COc2ccc(F)cc2)C1 585272269 MROGTZZCZCSUBQ-GOSISDBHSA-N 347.390 1.845 0 40 EDAB CCN1CCN(C(=O)NCc2ccc(-c3ccoc3)cc2)C(=O)C1=O 585148432 KARYGLCOQZPKOV-UHFFFAOYSA-N 341.367 1.847 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)c2ccc(-c3ccccc3)[nH]2)[C@@H]1O 585284634 KGVVCVQUYWUFBS-XYPHTWIQSA-N 330.384 1.434 0 40 EDAB CS(C)(=O)=NC(=O)CNC(=O)N[C@@H]1CCSc2ccccc21 585137443 ZGTABNNGIAKJQL-LLVKDONJSA-N 341.458 1.777 0 40 EDAB CCS(=O)(=O)NC[C@H]1CN(Cc2cccc(C)c2)Cc2ccnn21 585112755 VBGAZFUKKANUPL-KRWDZBQOSA-N 348.472 1.688 0 40 EDAB CCn1cc(Br)c(=O)c(NC(=O)N[C@H]2C[C@H](OC)C2)c1 685939098 GPUUUEUGEQWRJR-KYZUINATSA-N 344.209 1.930 0 40 EDAB O=C(CCN1C(=O)CCC1=O)NCc1cccc(OCC(F)F)c1 69696838 KLAAQTNDJGQHQM-UHFFFAOYSA-N 340.326 1.486 0 40 EDAB O=C(c1cnns1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 47623414 MUFJXJJIQOKFQZ-UHFFFAOYSA-N 330.413 1.431 0 40 EDAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)Cc2ncnn2C)C1 73819663 LUPDVZCGOPUDEG-HOCLYGCPSA-N 342.447 1.792 0 40 EDAB NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccccc1 58647424 NGNTZQRTTGACPS-HNNXBMFYSA-N 330.409 1.992 0 40 EDAB CCS(=O)(=O)NCCn1nc(-c2cccs2)n(C2CC2)c1=O 96096677 DPGZDVAZFOXYCG-UHFFFAOYSA-N 342.446 1.048 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)Cn1nc(-c2ccncc2)oc1=O 12115891 IITLVHXJOPYITJ-LBPRGKRZSA-N 336.351 1.876 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1 14106009 REHBOXASQKDPES-UHFFFAOYSA-N 336.335 1.714 0 40 EDAB C#CCOc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1Br 6295402 JSSCCHVDAMALMP-POHAHGRESA-N 348.156 1.563 0 40 EDAB C[C@@H](C(=O)O)C(=O)N1CCN(CCOc2ccccc2Cl)CC1 581607207 MWYPRQDBYQOASN-GFCCVEGCSA-N 340.807 1.584 0 40 EDAB O=C(CN1CCC(NC(=O)C2(O)CCCC2)CC1)Nc1ccccc1 31604793 PZWSLSNLBIWLTK-UHFFFAOYSA-N 345.443 1.511 0 40 EDAB COc1cc(NC(=O)CSc2nnc(C)c(O)n2)cc(OC)c1 18177011 ZPDQUEYNSHHEKR-UHFFFAOYSA-N 336.373 1.634 0 40 EDAB O=C([C@H]1CN(c2ncnc3c2CCCC3)CCO1)N1CCSCC1 1888847460 HHVAHVQGIUWZKU-OAHLLOKOSA-N 348.472 1.136 0 40 EDAB CCc1ncnc(N2C[C@@H]3CN(Cc4nnc(C)o4)C[C@H]3C2)c1F 1888856890 VRMWSCBSJCLHAD-RYUDHWBXSA-N 332.383 1.438 0 40 EDAB CCc1cnc(N2CCN(c3ncnc4c3ncn4CC)CC2)nc1 1888888402 QSOHMRMKIORTDP-UHFFFAOYSA-N 338.419 1.525 0 40 EDAB C[C@H]1C[C@H](C)CN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 16311010 SJJWZYXKJCRTQM-RYUDHWBXSA-N 345.486 1.976 0 40 EDAB O=C(Cc1ccc(F)cn1)N1CCC[C@]2(C[C@@H](n3ccnc3)CO2)C1 1565549486 XXRMETLJVZFDOP-AEFFLSMTSA-N 344.390 1.983 0 40 EDAB Cc1cc(=O)n2c(n1)CC[C@@]1(CCN(C(=O)CC3(O)CCC3)C1)CC2 1565555593 KPPOUZVYSRDVMI-GOSISDBHSA-N 345.443 1.412 0 40 EDAB Cn1cc(C(=O)N2CCC23CN(C(=O)[C@]2(C)CC=CCC2)C3)cn1 1565544844 SXDZYLYBMPKHKL-QGZVFWFLSA-N 328.416 1.593 0 40 EDAB CCCOc1cc(N2CCN(S(=O)(=O)CCC)CC2)nc(C)n1 12224826 GRFDHRSPMCPDRB-UHFFFAOYSA-N 342.465 1.436 0 40 EDAB O=C(Cn1cnc(C2CC2)cc1=O)N1CC(n2cnc3ccccc32)C1 1775974048 VUZWRBHSRAQQQG-UHFFFAOYSA-N 349.394 1.554 0 40 EDAB COCCN1CNc2c(c(=O)[nH]c(=S)n2-c2ccc(F)cc2)C1 20227706 LKHHGUTUFKWRPL-UHFFFAOYSA-N 336.392 1.866 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CN1CCSC1=O)c1ccccc1 40476135 PPTGKDCVDUPUFS-CQSZACIVSA-N 330.413 1.795 0 40 EDAB COc1ccc(OC[C@H](O)Cn2nc(-c3ccco3)oc2=O)cc1 40496406 AZVSDFWJKFDGAR-LLVKDONJSA-N 332.312 1.545 0 40 EDAB Cc1c(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C 100719651 QOOKFECIGXERRL-DARAHFNDSA-N 349.390 1.796 0 40 EDAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NC[C@H](C)N1CCOCC1 40509894 KFIXVEDVUDZKTC-LBPRGKRZSA-N 342.871 1.951 0 40 EDAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)[nH]c(=O)[nH]c1=O 20757742 ASSLZDAZEBYNFZ-CQSZACIVSA-N 326.356 1.218 0 40 EDAB biogenic COc1ccc(N(Cc2cccs2)C(=O)Cn2cnnn2)cc1 32678578 URWRUPSOHIMBIY-UHFFFAOYSA-N 329.385 1.977 0 40 EDAB CCOc1cc2c(cc1CNC(=O)Cn1cccnc1=O)O[C@H](C)C2 32713683 LDZYVLSNYVMONT-GFCCVEGCSA-N 343.383 1.282 0 40 EDAB COc1ccc(C(=O)NCCc2nnc3n2CCCCC3)c(OC)c1 32872040 MLPQNVJTKQYYDL-UHFFFAOYSA-N 344.415 1.994 0 40 EDAB NC(=O)C1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 33018741 XCTIVIJTLIYUMC-LLVKDONJSA-N 347.242 1.930 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccnc1SC(F)F 22900385 SYDCECHWRCTUMZ-ZETCQYMHSA-N 347.343 1.787 0 40 EDAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1OC 52176 REYPTNTVIZTNMC-OQUILHJVSA-N 345.395 1.885 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cc3c(C)nn(C)c3s1)C2 71185928 VUTKZEBCDZWWLC-UHFFFAOYSA-N 330.417 1.753 0 40 EDAB Cn1ccnc1COc1ccc(CN2CCC(C(N)=O)CC2)cc1 54152577 FSDXHZSJBKARIK-UHFFFAOYSA-N 328.416 1.696 0 40 EDAB O=C(CN1CCCCCC1=O)NCc1nncn1-c1ccccc1 42496453 HBAVMKLOCCMKOW-UHFFFAOYSA-N 327.388 1.286 0 40 EDAB C[C@H](NC(=O)c1cccs1)C(=O)NCc1cn2ccccc2n1 23754555 PFEDGVWSNNOANP-NSHDSACASA-N 328.397 1.831 0 40 EDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccccc1F 3903516 GXGFXPWIXGOCLF-ZOMKSWQUSA-N 338.331 1.212 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2ccc(C)o2)NC(=O)N[C@]1(O)C(F)(F)F 4142366 UWOHORAGMGQHGO-VDDIYKPWSA-N 336.266 1.372 0 40 EDAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 6699506 KCGOCEMXIFSLLQ-VRKREXBASA-N 329.400 1.477 0 40 EDAB O=C(COC(=O)c1ccccc1)NC[C@@H]1COc2ccccc2O1 7171607 CRKLKNROJBIXRS-CQSZACIVSA-N 327.336 1.800 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N(Cc1ccco1)Cc1cccs1 24461044 QBALHRNVKQMBSV-UHFFFAOYSA-N 345.380 1.420 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)c1ccc2c(c1)OCO2 72268574 UQGTTXCERDQHPC-BBWFWOEESA-N 346.427 1.924 0 40 EDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 106516734 HTDYKVKROVPYPK-UONOGXRCSA-N 335.429 1.729 0 40 EDAB COc1ccc(OCC(=O)N2CCN(Cc3cscn3)CC2)cc1 55434352 HNDBBJIATRFIRN-UHFFFAOYSA-N 347.440 1.875 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCNC(=O)C=C2CCCCC2)C[C@H](C)O1 55994073 REBSCRDWPYTABA-KBPBESRZSA-N 344.477 1.432 0 40 EDAB C[C@H](CN1CCOCC1)OC(=O)c1ccn(-c2ccccc2F)n1 97107111 NRTOMEVBRIUWTI-CYBMUJFWSA-N 333.363 1.889 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)C[C@H](C)NC(=O)c2ccccc2)C1 25439031 UPTSSIUNEJPTEC-HOCLYGCPSA-N 346.427 1.997 0 40 EDAB Cc1cc(C)c(C)c(OCCCNC(=O)N2CC[C@H](C(N)=O)C2)c1 43856881 QVIUJSZTQSGHFT-HNNXBMFYSA-N 333.432 1.898 0 40 EDAB CCOC(=O)[C@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@@]23C=C[C@H]1O3 100885887 RPEILDMSBKWTGO-NNFUDEMPSA-N 327.380 1.574 0 40 EDAB O=C(COC(=O)COc1ccccc1)NCc1ccc2c(c1)OCO2 3234989 ZZGVNJWXZBOIIK-UHFFFAOYSA-N 343.335 1.654 0 40 EDAB CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)C1CC1 44545539 BCJJWMMSJAWALX-SFHVURJKSA-N 329.400 1.773 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N1CCN(Cc2cccnc2)CC1 48230194 NXKUCCKZHHNTLW-HNNXBMFYSA-N 328.420 1.194 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCc3ccccc32)C1 48261946 OMFJMUXRVGXRPR-ZFWWWQNUSA-N 337.445 1.397 0 40 EDAB COc1ccc(CN2CCCN(C(=O)NCc3cc[nH]n3)CC2)cc1 48299651 VTMHVFXYMNQIIO-UHFFFAOYSA-N 343.431 1.836 0 40 EDAB COc1cccc(CN(C)C(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 44873906 GKRKKFFHTUIGJX-AWEZNQCLSA-N 326.418 1.078 0 40 EDAB CCOc1cc2c(cc1CNC[C@@H]1CCS(=O)(=O)C1)O[C@H](C)C2 44862947 FUABRHBUXFYZHN-OLZOCXBDSA-N 339.457 1.933 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 48264356 LYCNBHXICBZCCF-BXUZGUMPSA-N 333.413 1.661 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccccc3)C2=O)o1 58292956 FJRUODPVWLFLGY-SFHVURJKSA-N 341.367 1.671 0 40 EDAB CCOc1c(CN[C@H]2CCS(=O)(=O)C2)c(C)nn1CC(C)C 58292641 UCJZQKQPAOVNBY-ZDUSSCGKSA-N 329.466 1.523 0 40 EDAB O=C(CN1CCN(C(=O)CCCc2ccccc2)CC1)NCC1CC1 58290807 IAJXMGJIUFKSMN-UHFFFAOYSA-N 343.471 1.680 0 40 EDAB COC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 10388439 YUGDUXUAKCIPAW-NSHDSACASA-N 341.385 1.189 0 40 EDAB COc1ccc(-c2ccc(=O)n(CC3(O)C[C@@H]4CC[C@@H](C3)N4)n2)cc1 100736817 SGVXZVMFSRFPEU-GJZGRUSLSA-N 341.411 1.564 0 40 EDAB C[C@@H](C(=O)N1CCCCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100769069 NFCZNHLXKGLFKM-ZDSWLMBUSA-N 328.412 1.441 0 40 EDAB CCOc1ccccc1C(=O)N1CCC(NS(C)(=O)=O)CC1 10660622 VVHCWOITVYKAGK-UHFFFAOYSA-N 326.418 1.239 0 40 EDAB CC(=O)NCc1ccc(C(=O)NCCCN(C)CC(F)(F)F)cc1 36397329 ZNEMEDPAZFCRJX-UHFFFAOYSA-N 345.365 1.937 0 40 EDAB COc1ccccc1CCNC(=O)c1ccc(-n2cnnn2)c(C)c1 28427799 QAWNSQQQVOERPA-UHFFFAOYSA-N 337.383 1.952 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1 45320637 DMDLBVVACOIYNM-UHFFFAOYSA-N 335.429 1.204 0 40 EDAB NC1=Nc2nc3ccccc3n2[C@H](c2c[nH]nc2-c2cccnc2)N1 11035675 ZBPWBYWRNCDVQF-OAHLLOKOSA-N 330.355 1.918 0 40 EDAB Cc1nc(C)c(CC(=O)NCc2ccc(-c3ccn[nH]3)cc2)c(=O)[nH]1 48324708 AWQWBUPPDIRLSW-UHFFFAOYSA-N 337.383 1.636 0 40 EDAB O=C(NCCOc1cccc(Cl)c1)N[C@@H]1CCCCNC1=O 45666639 WFZTUFYMTDXOJC-CYBMUJFWSA-N 325.796 1.687 0 40 EDAB COc1ccc2cc(CN(C)CC(=O)N3CCNC(=O)C3)ccc2c1 11438156 CXALWPYGTFNXGV-UHFFFAOYSA-N 341.411 1.239 0 40 EDAB O=C(OC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 11598922 FEMQUSRSPRPAPZ-JSGCOSHPSA-N 347.367 1.533 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)c1 72279985 VEWCSKIQXXXYBC-GJZGRUSLSA-N 333.436 1.363 0 40 EDAB Cc1cc(C(=O)NC2CCN(C)CC2)ccc1NS(C)(=O)=O 113941975 ARZHSWAAUXWHMB-UHFFFAOYSA-N 325.434 1.191 0 40 EDAB Cn1nc(C(=O)N[C@H]2CCN3CCCC[C@@H]23)c2ccccc2c1=O 60568089 LSFKSHRNPVZLHK-GJZGRUSLSA-N 326.400 1.290 0 40 EDAB Cc1ccnc(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)n1 3434285 UQGBDRNPOCRQOW-CYBMUJFWSA-N 329.312 1.107 0 40 EDAB COc1ccccc1N1CCN(C(=O)CN2CCCCCC2=O)CC1 3414016 CFSRALHJVMZESE-UHFFFAOYSA-N 345.443 1.746 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCC2 24680176 MCDXXDPLYILKHN-LBPRGKRZSA-N 342.486 1.781 0 40 EDAB CC1(C)CC(=O)c2cc(C(=O)NCc3cccnc3)c(=O)[nH]c2C1 49547480 JPNMEHYHFPQYCG-UHFFFAOYSA-N 325.368 1.855 0 40 EDAB CC(=O)N1CCN(C(=O)c2cc(Br)ccc2F)CC1 19503315 QTHVPVXQGPBEAX-UHFFFAOYSA-N 329.169 1.893 0 40 EDAB CCN1C[C@H](C(=O)NC[C@H](C)N2CCc3sccc3C2)CC1=O 65399592 KVHHFEFGZJKFOT-GXTWGEPZSA-N 335.473 1.479 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@@H](C)S(C)(=O)=O)O[C@H](C)C2 65447630 CKZLIUPTONULSU-GHMZBOCLSA-N 341.429 1.458 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)[C@H](C(C)C)n2cncn2)CC1 65489765 BKYZNDPPOJPHIA-INIZCTEOSA-N 346.435 1.424 0 40 EDAB CCOc1cccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 65474287 MPQMHBXMCCTKFO-KRWDZBQOSA-N 345.443 1.640 0 40 EDAB C[C@@H](NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)c1ccccc1 65453004 ABJQFFRHJIHJRK-HIFRSBDPSA-N 339.461 1.861 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)N[C@H]1CCCc2c1cnn2CCO 65415568 OVIRDRHIFHCXCK-DOMZBBRYSA-N 332.404 1.776 0 40 EDAB NC(=O)c1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1 6382957 XHSOTWUEWLJKEV-UHFFFAOYSA-N 327.369 1.788 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N1CCN([C@H](C)c2ccccc2F)CC1 65528931 XOKHNEHXXXSDJY-CHWSQXEVSA-N 336.411 1.348 0 40 EDAB C[S@@](=O)Cc1cccc(C(=O)NCC(=O)Nc2nccs2)c1 65515286 NAVNQXFAPAPTBQ-QFIPXVFZSA-N 337.426 1.390 0 40 EDAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NCCCO 5323994 LXBHUWTVMVISJW-GFCCVEGCSA-N 345.395 1.938 0 40 EDAB CC(=O)N(C)c1nc(CN2CCN(c3nccs3)CC2)cs1 65608579 UDBMNOHAWHSIIG-UHFFFAOYSA-N 337.474 1.905 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@]2(CC1)CN(C)C(=O)O2 72157386 QENLDODGJWWDNQ-SFHVURJKSA-N 348.447 1.803 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)Cn1c(=O)cnc3ccccc31)C2 97198263 QBNCCENAQWXBEY-ZDUSSCGKSA-N 337.383 1.033 0 40 EDAB CC[C@@](C)(O)CNC(=O)Nc1ccc(N2CCOC2=O)c(OC)c1 66161116 BBEXFVOGFSLYMC-MRXNPFEDSA-N 337.376 1.934 0 40 EDAB COc1ccc(NC(=O)C(=O)NCc2ccc(C)nc2OC)cc1 66221608 AVGSCKLHKGIDMA-UHFFFAOYSA-N 329.356 1.662 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(C)nc2)c1C 66575872 AKSDSVJSJGUCKM-UHFFFAOYSA-N 334.397 1.964 0 40 EDAB O=C(Cn1cnnn1)Nc1ccnn1Cc1ccc(Cl)c(F)c1 66813070 CTBBPFQYBIAZQL-UHFFFAOYSA-N 335.730 1.349 0 40 EDAB CCn1c([C@H]2CCCN(Cc3nc4cc(F)ccc4[nH]3)C2)n[nH]c1=O 67675926 VMJXBQJYFXCLLQ-NSHDSACASA-N 344.394 1.986 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC1 67611551 RMBICIXZIKUVQB-HUUCEWRRSA-N 337.445 1.266 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)C[C@H](NC(N)=O)c2cccs2)cn1 71796853 BPPTUTDOWQNRIZ-STQMWFEESA-N 347.444 1.945 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncnn1C 96455156 WSLFWOXCCRULGU-HOCLYGCPSA-N 342.447 1.525 0 40 EDAB CCc1nsc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1 80787198 GWLXKCQRCCKTAJ-UHFFFAOYSA-N 334.449 1.480 0 40 EDAB O=C(N[C@@H]1CCc2ccccc21)C1=CN2CCS(=O)(=O)N=C2C=C1 16472250 VTRUZGQARBYMCC-OAHLLOKOSA-N 343.408 1.288 0 40 EDAB COC(=O)c1cc(-c2ccccc2OC)nc2c1c(=O)[nH]c(=O)n2C 9544839 QHVXSXPAJZUURF-UHFFFAOYSA-N 341.323 1.084 0 40 EDAB CS(=O)(=O)c1n[nH]c(NC(=O)c2cnc(-c3ccco3)s2)n1 70013102 SYOZNUGULGOJBL-UHFFFAOYSA-N 339.358 1.177 0 40 EDAB COCCOc1ncccc1C(=O)NCCNC(=O)CC1CCCC1 69380345 YGOZRTZEWPVBAD-UHFFFAOYSA-N 349.431 1.533 0 40 EDAB COc1ccc([C@H]2C[C@H]2C(=O)NCCN2CCN(C(C)=O)CC2)cc1 69349605 SENCRCQRQWHXTK-QZTJIDSGSA-N 345.443 1.079 0 40 EDAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC[C@@H](n2cncn2)C1 71847063 OVBKMVHZQHDTNC-GOEBONIOSA-N 339.399 1.495 0 40 EDAB COCCCC(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 71858679 YEQZAVSQZODXMF-AWEZNQCLSA-N 340.445 1.383 0 40 EDAB Cc1ccc(F)c(C(=O)NCCS(=O)(=O)N2CCSCC2)c1 71884319 FKCPBCITOVPLSW-UHFFFAOYSA-N 346.449 1.243 0 40 EDAB C[C@H](CN1CCCC1=O)NCc1c[nH]nc1-c1ccc2c(c1)OCO2 71825283 IZFGYTBFYNCZKA-GFCCVEGCSA-N 342.399 1.906 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCCNC(=O)CC1CCCCC1 69571503 RWKWIMSUKWPDPV-UHFFFAOYSA-N 345.443 1.619 0 40 EDAB C[C@@H]1CN(c2ncnc3ccccc23)CCN1c1ccc2nncn2n1 69512711 RTKWJYUKWKIGLM-CYBMUJFWSA-N 346.398 1.783 0 40 EDAB Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c(C)n1CC1CC1 69599702 JCSBEVZMMDUCCZ-ZDUSSCGKSA-N 333.432 1.492 0 40 EDAB CCN(CC)C(=O)CCCNC(=O)c1ccccc1N1CCOCC1 69570606 KVZVBZVCHGFVSV-UHFFFAOYSA-N 347.459 1.902 0 40 EDAB CCO[C@@H](C(=O)N1CCC[C@@H](N2CCNC2=O)C1)c1ccccc1 71841635 GVPOXCRQWUQSDG-HZPDHXFCSA-N 331.416 1.780 0 40 EDAB Cc1cc(C)c(C)c(OCCC(=O)N[C@@H](C)C(=O)N2CCOCC2)c1 71884244 AZWOSCGEHDFJAJ-INIZCTEOSA-N 348.443 1.744 0 40 EDAB Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 69696609 MUGKQRBDSGYOAR-HNNXBMFYSA-N 348.424 1.942 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)c2cnc3sccn3c2=O)cn1 69665399 NYLHMWMFPVRMHW-GFCCVEGCSA-N 329.385 1.467 0 40 EDAB O=C(c1cc2c(F)cccc2[nH]1)N1CCN(c2ccc(=O)[nH]n2)CC1 69737699 HZVROMOAPFYSOW-UHFFFAOYSA-N 341.346 1.353 0 40 EDAB CN(C)C[C@@H]1CN(C[C@H](O)c2ccc(Br)cc2)CCO1 69738480 OOORMJLXCZNOGC-CABCVRRESA-N 343.265 1.745 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3Cc4cccc(F)c4O3)CCO2)n1 83829835 YOSGXRGXROJCFT-OLZOCXBDSA-N 346.362 1.410 0 40 EDAB Cn1nccc1C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 69918408 WADJSUPLDKGDQG-CYBMUJFWSA-N 349.412 1.625 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N(Cc2ccsc2)C2CC2)CC1 69950538 LQCPZNZOVXNVTH-AWEZNQCLSA-N 337.489 1.238 0 40 EDAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 69917558 ZMNBMSBCYIVCKT-UKRRQHHQSA-N 330.432 1.620 0 40 EDAB O=C(COC(=O)c1cnn(CCN2CCOCC2)c1)c1ccccc1 71921379 NSTNWWARBFHQTL-UHFFFAOYSA-N 343.383 1.255 0 40 EDAB COC(=O)c1ccc(N(C)C)c(NC(=O)c2nccnc2C(=O)O)c1 72401320 LBXMEBIVIPKFIK-UHFFFAOYSA-N 344.327 1.280 0 40 EDAB C[C@@H](c1ccccc1F)N1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 95407947 NMVWILAESOFTTO-LBPRGKRZSA-N 344.390 1.772 0 40 EDAB CC(C)(C)OC(=O)[C@H]1CC(C(=O)NCCO)=NN1c1ccccc1 95971217 FGPKKRGQGSMAFS-CQSZACIVSA-N 333.388 1.072 0 40 EDAB O=C1Cc2ccccc2N1CCNS(=O)(=O)Cc1ccc(F)cc1 74840781 GIODFRBNJQEEIM-UHFFFAOYSA-N 348.399 1.834 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75123221 KVSRKRVVORPITC-MRVPVSSYSA-N 329.282 1.800 0 40 EDAB CCS(=O)(=O)N(C)C1CCN(Cc2cccc(N(C)C)c2)CC1 75147485 HKGUJFPEJUPGBG-UHFFFAOYSA-N 339.505 1.999 0 40 EDAB Cc1csc(=O)n1CCC(=O)NCCOc1ccc(Cl)cn1 89702597 CQYDTCSQGUSITH-UHFFFAOYSA-N 341.820 1.852 0 40 EDAB O=C(CN1CCC[C@@H](CO)C1)NCCOc1cccc(Cl)c1 89774671 HZPCFNPXQKCVII-CYBMUJFWSA-N 326.824 1.539 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1nc(C(C)(C)C)cs1 89913554 XYSVCZBONFWGQD-VHSXEESVSA-N 345.490 1.988 0 40 EDAB Cc1nc(CN(C)[C@@H]2CCN([C@H](C(N)=O)c3ccccc3)C2)no1 76047316 UNEYBSCIRMJIOL-ZBFHGGJFSA-N 329.404 1.111 0 40 EDAB O=C(O)[C@@H](NC(=O)N1CCOCC1)c1ccccc1Br 547551180 KGNHMZQFHJLFJQ-NSHDSACASA-N 343.177 1.617 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2ccccc2)CC1 62526605 BTEDRJWIRSRIIU-CABCVRRESA-N 332.448 1.821 0 40 EDAB Cc1ccc(C)c(C2CCN(C(=O)Cn3cnc(C(N)=O)n3)CC2)c1 1551160733 ZCHJVBXETNMHTD-UHFFFAOYSA-N 341.415 1.400 0 40 EDAB CN1CCN(CCCSc2nnc(-c3ccncc3)n2C)CC1 129941439 VERNEXYGYFJISR-UHFFFAOYSA-N 332.477 1.607 0 40 EDAB COCCOc1cccc(C(=O)N2CCN(C(=O)N(C)C)CC2)c1 556712250 CMMGDGUSKJZEST-UHFFFAOYSA-N 335.404 1.151 0 40 EDAB Cc1nnc2n1C1(CCN(C(=O)Cc3ccco3)CC1)CN(C)C2 306142489 XAMWCHULKHYYNU-UHFFFAOYSA-N 329.404 1.185 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N2CC(N3CCN(C)CC3)C2)c1 521394059 WZRHBSNZTOYSMG-OAHLLOKOSA-N 345.443 1.115 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 521394155 UBXJGFDCNHUQDI-BRWVUGGUSA-N 339.457 1.936 0 40 EDAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408594383 OVXJTLMKAOPOBL-SECBINFHSA-N 334.825 1.542 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=S)NCc2ccccc2)cc1 37171470 QDRRXJDHPOUOHY-UHFFFAOYSA-N 349.481 1.759 0 40 EDAB O=C1CN(Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CCN1 72340134 KZBDGNBUQWYFFZ-UHFFFAOYSA-N 336.355 1.125 0 40 EDAB O=c1[nH]c(N2CCCCCC2)nc2c1CN(Cc1c[nH]cn1)CC2 72389585 LURQPPCWJHXVBY-UHFFFAOYSA-N 328.420 1.432 0 40 EDAB NC(=O)c1cc(NC(=O)[C@H]2CCCN2Cc2ccccn2)ccc1F 72899120 NRHJKOVNMSXOAH-MRXNPFEDSA-N 342.374 1.923 0 40 EDAB O=C(CNS(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 36106022 YNZPWLIUKDBPFF-UHFFFAOYSA-N 338.816 1.935 0 40 EDAB COCCNS(=O)(=O)c1ccc(NC(C)(C)C)c(C(=O)O)c1 217596484 XYKKTDRHFCXUTQ-UHFFFAOYSA-N 330.406 1.520 0 40 EDAB O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@H](O)C1 77717959 QPXWTHKIQPTSIL-VIFPVBQESA-N 345.168 1.510 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCCc2ccccc2)o1 35597552 JPWHBACOLDQDLV-UHFFFAOYSA-N 336.413 1.893 0 40 EDAB Cc1c(C(=O)NC[C@@H]2CCCSC2)cnn1-c1ccc(O)nn1 561716445 XPNSTQHBNFYVKG-NSHDSACASA-N 333.417 1.549 0 40 EDAB Cc1cc(C)nc(N2CCC[C@H](c3ncncc3S(C)(=O)=O)C2)n1 72369153 NVXCECCZAJHOPY-ZDUSSCGKSA-N 347.444 1.671 0 40 EDAB C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C[C@@H]1CCOC1)C2 72335604 NQHQXPDNBXGVBL-KGLIPLIRSA-N 332.448 1.543 0 40 EDAB COC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O 218077618 IGMUKPZMNJZQIQ-DYEKYZERSA-N 329.443 1.125 0 40 EDAB COCCNc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)O 217575868 UYJHMDTYYONJRO-UHFFFAOYSA-N 342.417 1.664 0 40 EDAB CCn1cc(NC(=O)C(=O)N2CC[C@@H](c3ccccc3)C2)ccc1=O 77742276 BGBHYZDGSUKAJB-OAHLLOKOSA-N 339.395 1.823 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 45810924 WBSRVXKWJZCYLT-CYBMUJFWSA-N 347.433 1.474 0 40 EDAB CC(=O)N1CCC(N2CC[C@H](c3nnc(-c4cccnc4)o3)C2)CC1 49169721 RYPZAYAHAJVMGB-HNNXBMFYSA-N 341.415 1.932 0 40 EDAB biogenic,in-vitro O=C(CCOC1CCOCC1)N1CCC[C@](O)(C(F)(F)F)CC1 329221367 URSFIVIEKLEMSW-CQSZACIVSA-N 339.354 1.878 0 40 EDAB COc1ccc(CN(C(C)=O)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 222973664 MDVJHUHLMOYNTC-SUMWQHHRSA-N 334.416 1.727 0 40 EDAB CC[C@@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 44886101 DZPOZMSVJOALQY-LLVKDONJSA-N 331.413 1.353 0 40 EDAB C[C@H]1CN(C(=O)c2cc(NC(=O)c3ccco3)n(C)n2)C[C@H](C)O1 40745769 OLIGYUITZHZQTN-QWRGUYRKSA-N 332.360 1.515 0 40 EDAB CC(C)C(=O)Nc1cc(C(=O)NCc2ccc3c(c2)OCO3)nn1C 46089073 KYZNVXMXODLSLY-UHFFFAOYSA-N 344.371 1.673 0 40 EDAB O=C(CCc1ccccc1)N1CCCN(C(=O)C2(C(=O)O)CC2)CC1 191578540 YNIOUAGMWSWWIS-UHFFFAOYSA-N 344.411 1.545 0 40 EDAB Cc1nccn1CC(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21 331736012 UYYRMPNGJLAFNE-UHFFFAOYSA-N 348.428 1.031 0 40 EDAB C[C@H](NS(=O)(=O)C[C@@H]1CCOC1)[C@H](c1ccccc1)N(C)C 192864179 XBEFSGCEDHDQSO-SQWLQELKSA-N 326.462 1.634 0 40 EDAB CN1CCN(C[C@@H]2OC[C@H]3CN(Cc4cccc(F)c4)CC[C@H]32)CC1 96185271 XTGKNDUGFSTZCB-RLLQIKCJSA-N 347.478 1.910 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N[C@H]1C[C@H]1c1c(F)cccc1F 96444742 XMIPXQZECLDCJY-MFKMUULPSA-N 346.399 1.609 0 40 EDAB O=C([C@H]1CCCO1)N1CCO[C@]2(CCCN(c3cccnc3)C2)C1 96226357 WNRPKWRIYKBVRL-AEFFLSMTSA-N 331.416 1.458 0 40 EDAB CCOC[C@H]1C[C@@]2(COCCN2C(=O)Cc2cccc(OC)c2)CO1 96240722 MJASADOLJKLQGA-IEBWSBKVSA-N 349.427 1.661 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 583616407 NXFBEOMVHXHBDQ-BNOWGMLFSA-N 329.393 1.376 0 40 EDAB O=C(c1ncccn1)N1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96209016 TVHGRDUCAWPIJW-QAPCUYQASA-N 340.383 1.462 0 40 EDAB O=C(NCC1CC1)C1=NO[C@]2(CCN(C(=O)c3cccs3)C2)C1 96225491 POMBGTHTJAOGFF-MRXNPFEDSA-N 333.413 1.635 0 40 EDAB O=S(=O)(C1CC1)N1CCc2ncnc(-c3ccncc3)c2CC1 96255268 RVESTNKCBVIORP-UHFFFAOYSA-N 330.413 1.431 0 40 EDAB CC1CCN(C[C@@H](O)CN(C)S(=O)(=O)c2ccc(F)cc2)CC1 96484744 YQCLYCDEZJMPSO-HNNXBMFYSA-N 344.452 1.539 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)NCC2(c3ccccc3F)CC2)cn1 96421601 NZJAHHSZJMGBOU-KRWDZBQOSA-N 346.406 1.798 0 40 EDAB O=C1COC2(CCN(Cc3ccoc3)CC2)CN1CCn1cccn1 96201411 CODUUIVPJPBQFE-UHFFFAOYSA-N 344.415 1.370 0 40 EDAB CNC(=O)N1CC[C@H]2N(C)CC[C@@]2(C(=O)Nc2ccccc2)CC1 96263608 HBEPPOFEKYTIMS-CRAIPNDOSA-N 330.432 1.751 0 40 EDAB CC(C)COc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=N)O)cc1 330688184 URPVQODXKGWTDK-CQSZACIVSA-N 342.417 1.646 0 40 EDAB O=C(c1ccc(=O)[nH]n1)N1CCC(Oc2ncccc2Cl)CC1 96024765 WVPFNOHRLXIEIO-UHFFFAOYSA-N 334.763 1.502 0 40 EDAB O=C(c1ccsc1)N1C[C@@H]2OCCN(CCN3CCCC3)[C@@H]2C1 96054384 QHFJBWHJEGFNFQ-CVEARBPZSA-N 335.473 1.369 0 40 EDAB CNS(=O)(=O)CCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 96414979 JHOABPSFBCOMEE-CQSZACIVSA-N 342.436 1.660 0 40 EDAB O=C(c1ccncn1)N1CC2(C1)OCC[C@H]2COc1cccnc1 247863354 NPRVPSCOVGXMCG-ZDUSSCGKSA-N 326.356 1.182 0 40 EDAB Cc1nc(CO[C@@H]2CO[C@@]3(CCCN(C[C@H](C)O)C3)C2)cs1 248032686 MLTMFYUSEWZAMG-RCBQFDQVSA-N 326.462 1.972 0 40 EDAB C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cccnc1O 245289660 DHCRZMSXTYIILK-XJKSGUPXSA-N 326.400 1.823 0 40 EDAB C[C@@H](O)C1CN(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)C1 585127939 NNCRUUPSOWPKCT-YRGRVCCFSA-N 326.437 1.861 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ocnc3C)CC2)C[C@]1(C)CO 257264936 LWPNCWYUWMMZDC-MRXNPFEDSA-N 335.404 1.209 0 40 EDAB COc1nc(OC)nc(N2CCC[C@@H]2c2ccc(CN(C)C)cn2)n1 257335024 YIJJTNINRWCRCM-CQSZACIVSA-N 344.419 1.687 0 40 EDAB COCCC(=O)N1CC[C@@H](c2c(C(N)=O)sc3nccnc23)C1 257341523 ZKSCQFAGOKFAEH-SECBINFHSA-N 334.401 1.143 0 40 EDAB CCCN(C(=O)c1cnc2nccnc2c1)[C@H]1CCS(=O)(=O)C1 541835934 CCAZDDARTFDNSP-LBPRGKRZSA-N 334.401 1.064 0 40 EDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)c2ccncn2)C3)n1 253476802 BLBDQEAXBSQBTR-ZDUSSCGKSA-N 341.371 1.028 0 40 EDAB Cc1cnc(C(=O)N2CCCC[C@@H]2c2cc(O)n3ccnc3n2)cn1 257322600 WGQGHYIGUMDORH-CQSZACIVSA-N 338.371 1.901 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@H](c2cc(C)nc(C)n2)C1 257290334 QCMATEJXGCLEJX-ZDUSSCGKSA-N 333.417 1.721 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCC[C@]3(C)NCCC[C@@H]23)c2ccccc21 257206853 BFDYVKGARYWPSJ-APWZRJJASA-N 342.443 1.473 0 40 EDAB Cc1nc(-c2ccnn2C)cc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257254255 KCIUKUUTMCWCEV-GFCCVEGCSA-N 335.433 1.325 0 40 EDAB COc1ccc([C@@H]2CCNC[C@H]2NC(=O)NC[C@@H]2CCCO2)cc1 1614994245 YUKGSJKBFWZBFX-YESZJQIVSA-N 333.432 1.619 0 40 EDAB O=S(=O)(c1cnc(NCCCO)c(Cl)c1)N1CCC[C@H]2C[C@H]21 1615046083 VSOHDLJFHRDOGO-GXFFZTMASA-N 345.852 1.702 0 40 EDAB O=C(O)CC1(NC(=O)CCC2CCCCC2)CCS(=O)(=O)CC1 1615588406 PDIUCAIPAJHCSO-UHFFFAOYSA-N 345.461 1.885 0 40 EDAB O=C(NC[C@@H]1CCC2(CN(C(=O)CC3CC3)C2)OC1)c1cnccn1 575403062 IFGNEGRAVVZTCN-AWEZNQCLSA-N 344.415 1.014 0 40 EDAB CCOc1ccccc1C(=O)NCCN1C(=O)c2cccnc2C1=O 575414494 SILAOSRSWYFPBV-UHFFFAOYSA-N 339.351 1.506 0 40 EDAB C[C@H]1CCCN(c2cc(C(=O)NC3(C(N)=O)CCOCC3)ccn2)C1 585085363 NLFZIJBSGDSOOX-ZDUSSCGKSA-N 346.431 1.082 0 40 EDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)c1ccn3ccccc13)C2 585141191 QTWUGUBSNMMFIM-AWEZNQCLSA-N 338.411 1.724 0 40 EDAB CCCC(=O)N1Cc2cncn2[C@H](C(=O)NCc2cccs2)C1 585096225 ZULIORDPQUHCOD-AWEZNQCLSA-N 332.429 1.944 0 40 EDAB CO[C@@H]1COC[C@@H](CNCc2cncn2Cc2ccccc2)[C@@H]1O 585285440 CZJMOMCDFPHDRG-NXHRZFHOSA-N 331.416 1.043 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1O 585285443 DDNBTPRLCZHQBF-WQAKAFBOSA-N 334.199 1.746 0 40 EDAB COC(=O)c1ccccc1OS(=O)(=O)[C@@H]1CCCN(C(C)=O)C1 69952052 YCERXJLWRJSJJI-GFCCVEGCSA-N 341.385 1.193 0 40 EDAB Cc1nccn1[C@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)C1 70005060 IAQRUHJALJOMOC-AWEZNQCLSA-N 339.461 1.712 0 40 EDAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3cnccn3)CC2)n1 1775995183 GRLNJUOGXMXCLN-UHFFFAOYSA-N 341.415 1.808 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)[C@@H](C)Oc3ccccc3F)C2)n1 1775985882 GHAJMHKLIFAMDL-CYBMUJFWSA-N 345.374 1.617 0 40 EDAB COc1ccccc1[C@H](CNC(=O)N[C@H](C)Cn1ccnc1)N(C)C 61189919 YMIVQUWDHXEIOS-ZBFHGGJFSA-N 345.447 1.882 0 40 EDAB O=C(Cn1cnnn1)N1CCC[C@@H]1c1ccccc1Br 87497667 WNDYDXXGOVEYGU-GFCCVEGCSA-N 336.193 1.799 0 40 EDAB O=C(NCCNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccccn1 12204740 DKLCPGVKPGVKGD-OAHLLOKOSA-N 345.786 1.585 0 40 EDAB O=C1NCC2(CCN(C(=O)c3cnccn3)CC2)Oc2ccccc21 12225195 UNORBGXDBAKJRU-UHFFFAOYSA-N 338.367 1.274 0 40 EDAB O=C(Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)N1CCOCC1 12942254 OFFRBSZGPNNZJJ-UHFFFAOYSA-N 347.440 1.655 0 40 EDAB COc1ccc(CN2CCc3nc(C)[nH]c(=O)c3CC2)cc1OC 19286429 FVFUJRJWPXDECZ-UHFFFAOYSA-N 329.400 1.696 0 40 EDAB COCCNC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206790225 MHSLEEHIQHQWJB-NSHDSACASA-N 332.326 1.625 0 40 EDAB CCOCCCNC(=O)NCc1nnc2c(C(F)(F)F)cccn12 225809544 IGUCNOHHWYLTOX-UHFFFAOYSA-N 345.325 1.974 0 40 EDAB Cc1cc(=O)oc2cc(OC[C@H](O)CN3CCN(C)CC3)ccc12 19912315 HJRAQBDYSJFULU-CQSZACIVSA-N 332.400 1.089 0 40 EDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCC(=O)O)cc1 5602747 CLOQHOLAEPVHQK-UHFFFAOYSA-N 337.401 1.855 0 40 EDAB O=C(O)C[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 13257707 LNUVTNWIIWDFSE-CQSZACIVSA-N 342.330 1.903 0 40 EDAB O=C(NCC(=O)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1)c1ccccc1 1888928885 YIAPPLXJCMZXFC-HOTGVXAUSA-N 327.428 1.359 0 40 EDAB COc1cnc(OC2CCN(C(=O)NC[C@@H]3CCCO3)CC2)nc1 1889136331 QNUXOZIRMWXCDR-ZDUSSCGKSA-N 336.392 1.217 0 40 EDAB C[C@@]1(C(=O)N2CCC3(CC(NS(C)(=O)=O)C3)C2)CC=CCC1 1565552070 OGFRXIYTCSGRGU-OGVSOVDVSA-N 326.462 1.663 0 40 EDAB COCc1cn([C@@H]2CCN(C(=O)NCc3ccc(OC)cc3)C2)nn1 1565523344 LQUZBHSSXRXLSY-OAHLLOKOSA-N 345.403 1.590 0 40 EDAB CC1=C(C(N)=O)[C@H](c2ccc(OC(F)(F)F)cc2)N2NC=NC2=N1 4694718 GPKUJSZRWQVKTE-NSHDSACASA-N 339.277 1.604 0 40 EDAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccon1 8864224 PPBJRLYTUQFGAC-LBPRGKRZSA-N 334.401 1.628 0 40 EDAB CCCCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713659 SKEFGLCHQLXPHI-CQSZACIVSA-N 348.447 1.176 0 40 EDAB O=C(CCC(=O)N1CCN(c2nccs2)C(=O)C1)c1ccccc1 1775965652 IJSORKVVDFZMBF-UHFFFAOYSA-N 343.408 1.981 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)S(=O)(=O)C3CC3)C2)cs1 2086889211 QCIVZSJZWSKYOP-CYBMUJFWSA-N 329.491 1.840 0 40 EDAB CC(=O)Nc1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)cc1 575414503 URCYCYLXROHHSM-UHFFFAOYSA-N 336.355 1.551 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)N1CCN(c2ccccc2O)CC1 585149837 SZUMQTUBLJZQNL-BBRMVZONSA-N 345.443 1.449 0 40 EDAB COc1ccc(C(=O)NC[C@H]2CCCN2c2ncccn2)cc1OC 618256860 NGEBIQJAQJGDQT-CQSZACIVSA-N 342.399 1.893 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@H](O)c2csc3ccccc23)cn1 225697303 MTIROIOZXLVELP-ZDUSSCGKSA-N 337.426 1.647 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)Nc1cc(O)n(-c2ccccc2)n1 585149533 DGGVKPAKPUQKIR-SWLSCSKDSA-N 342.399 1.925 0 40 EDAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccnc2)n2nnnc2N1 66840 LCHDMQAZSINWPX-AWEZNQCLSA-N 334.343 1.391 0 40 EDAB CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2OC)n[nH]1 21096358 ZDMLPKPUAARAIA-UHFFFAOYSA-N 339.373 1.704 0 40 EDAB O=C(N/C(=C\c1cccnc1)C(=O)N1CCOCC1)c1ccco1 37866153 NHRGRXHJDOMWFX-KAMYIIQDSA-N 327.340 1.304 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 30351530 KAQBWANSFKKXQG-UHFFFAOYSA-N 335.429 1.798 0 40 EDAB O=C1CN(NC(=O)c2cccc(OCc3cccs3)c2)C(=O)N1 30598693 OKJOTKNUOSXYIO-UHFFFAOYSA-N 331.353 1.524 0 40 EDAB COc1ccc(NC(=O)COc2c(C)n(C)ccc2=O)cc1OC 40283246 DDQPJQBWNSUJHJ-UHFFFAOYSA-N 332.356 1.728 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(F)c1 40493520 YYIWGGKNFQJPFO-RISCZKNCSA-N 328.409 1.817 0 40 EDAB CCOc1ccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 40515762 UAIAYDJMDJWZHM-ZDUSSCGKSA-N 340.445 1.487 0 40 EDAB CCc1nnc(NC(=O)CN2CC(=O)Oc3cc(C)ccc32)s1 31847103 DNBWIELCPPQNLK-UHFFFAOYSA-N 332.385 1.773 0 40 EDAB COc1cccc([C@H]2CCCN2C(=O)CN2CCN(C(C)=O)CC2)c1 51152546 CRCXFKJNBBMSBS-GOSISDBHSA-N 345.443 1.523 0 40 EDAB O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2N1CN1CCC(CN2CCOCC2)CC1 101187209 RMZCPKYPOJJHNE-WNRNVDISSA-N 333.476 1.245 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCc1ncc(-c2ccccc2)[nH]1 51411364 KIJPDQLTWGARFY-JSGCOSHPSA-N 326.400 1.855 0 40 EDAB CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CO)C=C[C@H]3O2)cc1 101360904 DGUPNGRGMKZIAX-ADAWSYLGSA-N 329.352 1.281 0 40 EDAB COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)c2cccn2C)cc1 32878810 FVYJRJGJUWQORL-LBPRGKRZSA-N 344.367 1.673 0 40 EDAB CC(C)(C)n1nc(C(=O)NCC2(C(N)=O)CCOCC2)cc1C1CC1 52745225 PZMHCGKNROLNPU-UHFFFAOYSA-N 348.447 1.527 0 40 EDAB O=C(NCc1nnc2n1CCCC2)C1=NO[C@H](c2ccccc2)C1 53062431 ZEKIWIHSRVYEMS-AWEZNQCLSA-N 325.372 1.748 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)c3cccc4c3OCC(=O)N4)C2)n1 104291056 ADGDHVPMZNVQKZ-LLVKDONJSA-N 342.355 1.729 0 40 EDAB O=C(CCNc1ncnc2[nH]cnc12)Nc1ccc2c(c1)OCCO2 12390281 UXTKEULNISWBDK-UHFFFAOYSA-N 340.343 1.565 0 40 EDAB COc1ccc(F)cc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 76713856 QCCDFBIPXMNRNQ-LBPRGKRZSA-N 344.408 1.378 0 40 EDAB COc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)on2)cc1 415620 UADDVASQECZBOP-UHFFFAOYSA-N 346.372 1.698 0 40 EDAB C[C@H]1CN(CCNC(=O)N[C@@H]2CCOc3ccccc32)C[C@@H](C)O1 47866626 MJZNUOOTFBCIDH-IJEWVQPXSA-N 333.432 1.919 0 40 EDAB O=C(CN1CCC[C@@H]1c1ccc[nH]1)NC1CCC2(CC1)OCCO2 77171225 LIFBWKHTCYONKT-MRXNPFEDSA-N 333.432 1.954 0 40 EDAB COc1nc(C(=O)N2CCN([C@@H]3CCOC3)CC2)cc2ccccc12 79103406 HHDRACZDRYKWMM-OAHLLOKOSA-N 341.411 1.790 0 40 EDAB COc1ccsc1S(=O)(=O)N1CCC(n2ccnc2)CC1 79107790 CDIIFAOPBSYNDG-UHFFFAOYSA-N 327.431 1.979 0 40 EDAB O=C(N[C@H]1CCOc2ccccc21)N1CCN(c2ncccn2)CC1 43165703 ZPAXFGQATNWZCJ-HNNXBMFYSA-N 339.399 1.832 0 40 EDAB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ncnc3nc[nH]c23)c1N 24876690 YTXGTEGGYZMAOK-VIFPVBQESA-N 340.343 1.428 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 24831137 FFRVHHCFDMDLHW-RYUDHWBXSA-N 349.456 1.402 0 40 EDAB CCN(C(=O)Cn1cnnn1)[C@H]1CCN([C@H](C)c2ccccc2)C1 106630812 GJZIXEKGFVRCHG-ZBFHGGJFSA-N 328.420 1.357 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 106918622 TVFCYJLEENMTPM-RBIVETJNSA-N 333.392 1.318 0 40 EDAB Cc1nn(Cn2ccc(C(=O)Nc3ccn(C)n3)n2)c(C)c1Cl 28233663 VFYJRFADIIORLD-UHFFFAOYSA-N 333.783 1.841 0 40 EDAB COCc1ccccc1CNC(=O)c1cccc(OCC(N)=O)c1 25308150 YQQRRCWQZNFKBF-UHFFFAOYSA-N 328.368 1.627 0 40 EDAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 56073109 XIZPIKWEEUTCDC-STQMWFEESA-N 333.454 1.174 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(C)cc2C)n(C)c1 25598687 HQDIQSKCZMXTAE-UHFFFAOYSA-N 349.456 1.822 0 40 EDAB O=C(CN1CCOCC1)Nc1ccc(N2CCOCC2)c(Cl)c1 25778913 POOWEKCRSUXRLY-UHFFFAOYSA-N 339.823 1.447 0 40 EDAB COC(=O)N1CCC(NS(=O)(=O)c2cc(C)sc2C)CC1 57484800 TZGCDFSBXVRXEG-UHFFFAOYSA-N 332.447 1.874 0 40 EDAB O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)NC1Cc2ccccc2C1 97140405 RWKQZDSMCZSFKR-QZTJIDSGSA-N 329.444 1.706 0 40 EDAB CN(C)S(=O)(=O)N1CCN(Cc2cccc3cccnc23)CC1 27432209 WMRWYWVBWAHWQT-UHFFFAOYSA-N 334.445 1.159 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 44891300 PKLVOQUIJDSJJT-HNNXBMFYSA-N 331.420 1.992 0 40 EDAB CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1OC(F)F 58264137 OFVJYBZNHKUPBS-JTQLQIEISA-N 348.371 1.577 0 40 EDAB Cn1c(=O)n(CCC(=O)N2CCO[C@H]3CCCC[C@@H]32)c2ccccc21 44969889 ZDTBUWWDLXKMLH-IRXDYDNUSA-N 343.427 1.900 0 40 EDAB C[C@@H](C(=O)N1CCCN(Cc2ccc(F)cc2)CC1)n1cncn1 44910966 UNISIESCHUOCGM-AWEZNQCLSA-N 331.395 1.713 0 40 EDAB C[C@@H]1CN(C(=O)c2cc(Cl)ccc2NS(C)(=O)=O)C[C@@H](C)O1 58357703 NEHYUAHQWYZEKY-NXEZZACHSA-N 346.836 1.961 0 40 EDAB CCn1nnc2cc(C(=O)Nc3ccc(-n4cncn4)nc3)ccc21 22989734 UYRJAYIVUIMZQO-UHFFFAOYSA-N 334.343 1.679 0 40 EDAB COc1c(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)nn1C 58428837 XGWCJJFJXDBSRF-LLVKDONJSA-N 337.445 1.991 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C1 28199923 JFDUXKVFEIGDGI-OKILXGFUSA-N 338.473 1.896 0 40 EDAB CCn1cnnc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1 48366027 MMFMLPRKQFOFBC-UHFFFAOYSA-N 334.323 1.795 0 40 EDAB O=c1c2cccnc2ncn1C[C@H](O)c1ccc2c(c1)OCCCO2 48345602 AOLVMXCIMAPPPQ-AWEZNQCLSA-N 339.351 1.686 0 40 EDAB Cc1cc(C(=O)NC2CCN(Cc3nnsc3Cl)CC2)no1 48302433 GSYUDOIAVHLSMM-UHFFFAOYSA-N 341.824 1.882 0 40 EDAB COC(=O)C1CCN(c2ncnc3c2cnn3-c2ccccn2)CC1 57279952 LFNXNGBGWJSIRW-UHFFFAOYSA-N 338.371 1.600 0 40 EDAB CCc1nnc(CN2C(=O)[C@H]3CN(Cc4ccccc4)C[C@@H]3C2=O)o1 104380594 XXOSTOSPMRWMRI-KBPBESRZSA-N 340.383 1.249 0 40 EDAB NS(=O)(=O)c1cccc(CNC(=O)c2cc(Cl)ccc2O)c1 24699736 OPRBSAWEWDXAFD-UHFFFAOYSA-N 340.788 1.623 0 40 EDAB CCn1ncc(Br)c1C(=O)N(C)Cc1cnn(C)c1 2777548 FMMJOQGUXSNCGT-UHFFFAOYSA-N 326.198 1.671 0 40 EDAB CS(=O)(=O)N1C[C@@]2(CCN(Cc3ccccn3)C2)c2ncccc21 306135966 PFEUPVJYABICPV-KRWDZBQOSA-N 344.440 1.400 0 40 EDAB COCCOc1ccc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)cn1 72301132 VFWOOUVTWFVUKQ-CQSZACIVSA-N 346.387 1.818 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H](C)Cn1cncn1 96009906 SIYWVWKNWXPGJK-NSHDSACASA-N 340.453 1.114 0 40 EDAB COc1ccccc1NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 9220958 FSCTWQFZEVXXBM-UHFFFAOYSA-N 349.412 1.702 0 40 EDAB CCN(CC)[C@H](C)CNC(=O)NCc1nncn1-c1ccccc1 49132589 WAEGXPANVXKHHQ-CQSZACIVSA-N 330.436 1.797 0 40 EDAB Cc1cc(OCc2nn[nH]n2)c2c(C)c(CC(=O)O)c(=O)oc2c1 4294879 FVFVXBAIKNEEHH-UHFFFAOYSA-N 330.300 1.129 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1C 49959213 HUXQRBAHLWEQBX-OAHLLOKOSA-N 342.417 1.115 0 40 EDAB CCc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 39996347 MQOUWQWXOIFECL-WCQYABFASA-N 339.413 1.554 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O 4306170 XWEYZLZCSTYTFV-GOSISDBHSA-N 341.367 1.753 0 40 EDAB O=C(NC1(c2cccc(Br)c2)CCC1)c1n[nH]c(=O)[nH]1 65316220 URHZIONQIXKJPQ-UHFFFAOYSA-N 337.177 1.670 0 40 EDAB CN1CCCN(C(=O)NCc2ccccc2Cn2cncn2)CC1 65446790 NCHDFPVHPBMJKS-UHFFFAOYSA-N 328.420 1.174 0 40 EDAB O=S(=O)(Cc1ccccc1F)N1CCN(c2ccccn2)CC1 65623498 LRGMHZYZAVSLPG-UHFFFAOYSA-N 335.404 1.873 0 40 EDAB O=C(CC1CCCCC1)N1CCN(c2ncnc3[nH]cnc23)CC1 65620939 AVNANSMOEQDNPV-UHFFFAOYSA-N 328.420 1.972 0 40 EDAB O=C(c1cc2ccccc2[nH]1)N1CCN(c2ncnc3[nH]ncc23)CC1 65620948 MTRBAYGPCZCEML-UHFFFAOYSA-N 347.382 1.797 0 40 EDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)NCCc1cccs1 14201806 VGVOVTRBEXHTTR-UHFFFAOYSA-N 331.376 1.900 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1nn(-c2ccc(F)cc2)cc1O 84383008 AOAZFGLFCQCPHQ-UHFFFAOYSA-N 342.334 1.185 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@H]2CCS(=O)(=O)C2)cc1C 6590190 YWCGYRJXZOSIQL-LBPRGKRZSA-N 325.386 1.220 0 40 EDAB O=C(CCNS(=O)(=O)c1ccccc1)NCc1ccccc1F 6509410 NHAWQZJIFUREPQ-UHFFFAOYSA-N 336.388 1.811 0 40 EDAB COc1ccccc1CCNC(=O)Cc1n[nH]c(=O)c2ccccc12 6605499 CNJXOLWKAFSFHG-UHFFFAOYSA-N 337.379 1.833 0 40 EDAB O=C([C@H]1CCCCN1C(=O)CCc1ccccc1)N1CCOCC1 66485907 PTJMWLNMCYCZAT-QGZVFWFLSA-N 330.428 1.859 0 40 EDAB C[C@H](NC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1)[C@@H](C)CO 97598138 SWEWAQJHOCVFBI-IUCAKERBSA-N 336.360 1.821 0 40 EDAB CC(C)(C)OC(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1 19859169 RNHKXIOFQGPNPV-UHFFFAOYSA-N 341.452 1.082 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCCN(c3nccs3)CC2)cn1 71841609 HDUBWCJJUDSZOO-KBPBESRZSA-N 331.445 1.719 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCn2c(nnc2C2CC2)C1 71880300 XMBAVKVNGXZTEB-LBPRGKRZSA-N 343.435 1.776 0 40 EDAB Cn1c(CN2CCC[C@H]2Cc2cccc(F)c2)cc(=O)n(C)c1=O 71810992 SGMBZDCUFDIFPR-HNNXBMFYSA-N 331.391 1.430 0 40 EDAB C[C@H](OCC1CC1)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 71863718 WSYSVYWAPYXVQI-YJBOKZPZSA-N 332.444 1.679 0 40 EDAB COCCN(CCCc1ccccc1)C(=O)[C@@H]1CCCN(C(N)=O)C1 68270015 DCKXGNOGZVDRLV-QGZVFWFLSA-N 347.459 1.885 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 83888813 JQPVDRHFIOBBOH-CZUORRHYSA-N 332.400 1.784 0 40 EDAB CC(C)C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(C)(C)C 71915244 PSVQFKFQNLRWHJ-CYBMUJFWSA-N 333.436 1.707 0 40 EDAB O=C(Cc1cn2ccccc2n1)NCc1ccc(-c2nnn[nH]2)cc1 68974174 GOVDWYLNZWHDLK-UHFFFAOYSA-N 333.355 1.373 0 40 EDAB C[C@@H](SCc1cccc(F)c1F)C(=O)N[C@H]1CCS(=O)(=O)C1 9690746 HUAKVYVXURVDMI-KOLCDFICSA-N 349.424 1.890 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cccn2Cc2ccccc2)CC1 70040946 IHSDBBBBMDAPDQ-MRXNPFEDSA-N 327.428 1.675 0 40 EDAB O=C(c1ccc[nH]c1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 8308241 ZRJZRWIQFLONAP-UHFFFAOYSA-N 338.367 1.495 0 40 EDAB CN(c1ccc(OCC(=O)NCc2ccccc2)cc1)S(C)(=O)=O 22230421 PGKHCUNUDRBOHS-UHFFFAOYSA-N 348.424 1.778 0 40 EDAB COCCNC(=O)CCc1nc(-c2ccc(OC)c(OC)c2)no1 29629513 KMEQJOBUBKSILP-UHFFFAOYSA-N 335.360 1.449 0 40 EDAB COc1ccc(C(=O)Nc2cccc(-c3noc(=O)[nH]3)c2)c(O)c1 69571495 JQNOLMBZANEMTH-UHFFFAOYSA-N 327.296 1.996 0 40 EDAB O=C1C[C@H](N(C(=O)CCc2nc3ccccc3s2)C2CC2)C(=O)N1 69530786 PNCKZCKDVRPGLL-LBPRGKRZSA-N 343.408 1.635 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(C[C@@H](C)O)CC2)c1 69697221 RSSBAWXOLQQWJF-MRXNPFEDSA-N 340.489 1.076 0 40 EDAB CCN(CCC(=O)OC)C(=O)[C@H](C)NC(=O)CC1CCCCC1 69780119 YUCWIEGEJNHGDN-ZDUSSCGKSA-N 326.437 1.873 0 40 EDAB CCN(CC)C(=O)[C@H](N[C@H]1CCc2ncnn2C1)c1ccccc1 69737431 JTHGHDDHKZRHLD-DOTOQJQBSA-N 327.432 1.792 0 40 EDAB O=C(NCCc1nccn1C(F)F)C(=O)Nc1ccc(F)c(F)c1 69739346 VNHTVENDMZKRHT-UHFFFAOYSA-N 344.268 1.854 0 40 EDAB NNc1nc(Nc2cccc3ccccc23)nc(N2CCOCC2)n1 18126498 LDLCNFLKKDUGJM-UHFFFAOYSA-N 337.387 1.891 0 40 EDAB CC[C@]1(C(=O)OC)N[C@H](c2cccc(F)c2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 20150380 MNQANYLTQZFWNZ-ZBYUQBLASA-N 334.347 1.023 0 40 EDAB Cn1c(CSc2ccc(C(F)(F)F)cn2)cc(=O)n(C)c1=O 8728535 WFMFRPXMKWWQCG-UHFFFAOYSA-N 331.319 1.790 0 40 EDAB O=C([C@@H]1CCCN1c1cc(C(F)(F)F)ccn1)N1CCOCC1 95408532 JDRFEZPCXZWFQY-LBPRGKRZSA-N 329.322 1.928 0 40 EDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)NCc2ccccc2)n1 8917610 VKGMXOOSXRMMFL-UHFFFAOYSA-N 325.777 1.464 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)s1 97012823 BGNOPSRXSYGPMS-LBPRGKRZSA-N 327.431 1.552 0 40 EDAB O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCc1ncc[nH]1 72283637 GCVFVZATJIUKCX-UHFFFAOYSA-N 345.447 1.684 0 40 EDAB CC[C@@H](NC(=O)N1CCCN(C(C)=O)CC1)c1c(C)nn(C)c1C 84733898 ZLDKFTHRTYXFJI-OAHLLOKOSA-N 335.452 1.752 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)n1 72235371 GXMNLAPBFNSXGR-HIFRSBDPSA-N 331.420 1.069 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1cc(C(C)C)[nH]n1 72284898 GHTAADJLBXAKRZ-UHFFFAOYSA-N 328.376 1.416 0 40 EDAB COC(=O)[C@@H](C)N(C(=O)Cn1nc(C)c2ccccc2c1=O)C1CC1 74026994 YYIGHMHTKYZIKZ-GFCCVEGCSA-N 343.383 1.257 0 40 EDAB O=S(=O)(NCCCNc1ccc(C(F)(F)F)cn1)c1c[nH]cn1 95960514 FNLMSKIFQCFZTJ-UHFFFAOYSA-N 349.338 1.604 0 40 EDAB O=C(NCc1nnc2n1CCC2)N(C[C@@H](O)c1ccccc1)C1CC1 95963485 LSMUHVKYVOWSQA-OAHLLOKOSA-N 341.415 1.632 0 40 EDAB NC(=O)[C@H]1CCCN1CCCNC(=O)N1CCC2(CCCCC2)C1 95962461 VLLCPUONYBUHFM-OAHLLOKOSA-N 336.480 1.692 0 40 EDAB CCn1ccnc1CN1CC[C@H](N(Cc2noc(C)n2)C(C)=O)C1 89309996 OPWXEKNQLBCTIC-AWEZNQCLSA-N 332.408 1.217 0 40 EDAB CC(=O)N1CCN(C(=O)COC(=O)c2cc3c(C)cccc3[nH]2)CC1 9954467 FUFYFINWDFNIBF-UHFFFAOYSA-N 343.383 1.324 0 40 EDAB CCc1nc(NC(=O)CN2CCN(C[C@@H](C)O)[C@H](C)C2)sc1C 75129345 AEUUVYAMMDMTNV-VXGBXAGGSA-N 340.493 1.339 0 40 EDAB Cc1nc(/C=C/C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)cs1 75141427 WLKZVVDKVYRAON-HWKANZROSA-N 349.437 1.701 0 40 EDAB O=C(CN1CCCN(c2ccc3nccnc3n2)CC1)N1CCCC1 89794175 ORQVFFMOXNUTHJ-UHFFFAOYSA-N 340.431 1.159 0 40 EDAB COc1c([C@H]2CCCN2CC(=O)Nc2nncs2)c(C)nn1C 75605358 QGCHCYHLCZUNBU-SNVBAGLBSA-N 336.421 1.364 0 40 EDAB CCCc1n[nH]c([C@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)n1 76049401 UUSMMBILSPOSKK-HIFRSBDPSA-N 347.394 1.496 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cnn(C)c2)cc1OC 27919381 JDHNNWHYHQVWCE-JTQLQIEISA-N 325.390 1.477 0 40 EDAB Cn1nccc1C(=O)N1C[C@H]2Cn3c(-c4ccncc4)cnc3[C@H]2C1 306144583 ZJKYPKDQTDJOGM-KBPBESRZSA-N 334.383 1.548 0 40 EDAB CN1CCC(n2cc(NC(=O)N3C[C@@H](N)C4(CCC4)C3)cn2)CC1 1550748448 SISDPNNHZGQTIN-OAHLLOKOSA-N 332.452 1.495 0 40 EDAB CC(C)C(=O)N1CC[C@]2(C1)OCc1cnc(-c3cnn(C)c3)nc12 306125488 CSJKZKRHOQFRKX-QGZVFWFLSA-N 327.388 1.491 0 40 EDAB Cn1nc(CC(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)c2ccccc21 519136552 HFKVFKYIJHFNQI-LLVKDONJSA-N 340.387 1.346 0 40 EDAB CC(C)(C)n1nnnc1CN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 521393950 NQTGLANOZLEBFV-HUUCEWRRSA-N 326.448 1.996 0 40 EDAB O=c1ccc(-c2ccco2)nn1CN1CCN(c2ccccn2)CC1 72402492 VMGFICBZXUWHFU-UHFFFAOYSA-N 337.383 1.678 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H]2CC[C@H](CO)CC2)C1=O 152313212 BPBHIFMEGWHMSI-SOUVJXGZSA-N 346.427 1.858 0 40 EDAB CCn1cc(-c2csc(NC(=O)c3nccnc3C(=O)O)n2)cn1 71285042 LTXMODPIXXAKQU-UHFFFAOYSA-N 344.356 1.767 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)CC1(Cn2cnnn2)CCCCC1 79493551 WUBDWACDOWXOAK-UHFFFAOYSA-N 345.451 1.680 0 40 EDAB COc1cccc2sc(N(C)CC(=O)NCc3nc(C)no3)nc12 70973464 AGAFDWRRDIWMFQ-UHFFFAOYSA-N 347.400 1.749 0 40 EDAB NC(=O)c1nnn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)n1 70998997 GMLDQDXVZGGREE-UHFFFAOYSA-N 342.746 1.667 0 40 EDAB CCc1noc(C)c1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 69700610 MCSWELLTAXHLHC-LLVKDONJSA-N 329.422 1.089 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2)CC1 69739898 UDSQGQOZVVKRIJ-HNNXBMFYSA-N 326.824 1.495 0 40 EDAB Cc1cccc2nc(CNC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)cn12 78962492 MSAUMGODDALHGS-CYBMUJFWSA-N 343.431 1.841 0 40 EDAB CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H](C)C(=O)O)c1C 563957552 OICSYIWFZBWIAT-JTQLQIEISA-N 328.390 1.806 0 40 EDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)Cc3ccsc3)C2)nn1 225447981 XJKDDPKWVZPADK-CYBMUJFWSA-N 332.429 1.827 0 40 EDAB CC(C)c1noc(CCNS(=O)(=O)c2ccc(N(C)C)cc2)n1 195580600 SLZIMEPNDVFPPB-UHFFFAOYSA-N 338.433 1.780 0 40 EDAB CC(C)(CC(=O)N1CCOCC1)Cc1c[n+]([O-])c2ccccc2n1 46089314 BLUUSFOXRQTBEK-UHFFFAOYSA-N 329.400 1.686 0 40 EDAB COCCOc1cc(CNC(=O)[C@H]2CCc3[nH]cnc3C2)ccn1 225513834 HHVYAGWNQIODGE-ZDUSSCGKSA-N 330.388 1.251 0 40 EDAB Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)c1F 190771001 SPIUDKHEPBESNC-CYBMUJFWSA-N 330.363 1.960 0 40 EDAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc[nH]1 223639890 BRJUTGNMNQMYHS-LSDHHAIUSA-N 330.413 1.945 0 40 EDAB C[C@H]1c2ncc(COCC3CC3)n2CCN1S(=O)(=O)C1CC1 96109763 VUFVUZVVDRJXBR-NSHDSACASA-N 325.434 1.679 0 40 EDAB CCN(Cc1ccc(-n2cncn2)c(C)c1)[C@@H]1CCS(=O)(=O)C1 96489453 YCMUQBNZYXJJSW-OAHLLOKOSA-N 334.445 1.585 0 40 EDAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1I 94206226 HOMAQDWMORHNOB-MRVPVSSYSA-N 340.186 1.464 0 40 EDAB COCCNC(=O)[C@H]1CO[C@H]2CCN(CCc3ccccc3)C[C@H]2C1 96066005 PHRBGGIPGGHDJD-QRVBRYPASA-N 346.471 1.719 0 40 EDAB CCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)N2C(C)C)C1 96185693 AIMUGAVUJSFWTJ-PMPSAXMXSA-N 340.493 1.406 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@]1(O)CCc2ccccc21 96025818 WCKIPNDSBZTECR-INIZCTEOSA-N 335.429 1.149 0 40 EDAB O=C(c1cnccn1)N1CCC[C@@]2(CCN(C3CCOCC3)C2)C1 96158210 AWZHRQIPQZFLSX-SFHVURJKSA-N 330.432 1.584 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CO[C@@H]2CN(Cc3ccsc3)C[C@@H]21 96217372 GSQBMXPPBFORLR-IXDOHACOSA-N 343.452 1.906 0 40 EDAB O=C1NC2(CCN(c3ncc(F)cn3)CC2)C[C@H]1c1ccncc1 96199547 MCWHNRUJPGWQLF-AWEZNQCLSA-N 327.363 1.653 0 40 EDAB c1cncc(CN2CCOC[C@@]3(C[C@H](CN4CCCC4)CO3)C2)c1 96052028 QGXSIALJKWBLOP-RTBURBONSA-N 331.460 1.785 0 40 EDAB COCCN1CCCN(C(=O)CNC(=O)OCc2ccccc2)CC1 96134098 PWQIOVHIUPHAFD-UHFFFAOYSA-N 349.431 1.094 0 40 EDAB O=C([C@H]1CCOC1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96224348 NLPVFKUVNPCZAZ-LPHOPBHVSA-N 343.427 1.459 0 40 EDAB CN(C)C(=O)C[C@]12COC[C@H]1CN(CCOCc1ccccc1)C2 96215686 VWBZCYCFNBTREZ-MJGOQNOKSA-N 332.444 1.630 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(C1CCOCC1)C2)c1ccccc1 96108502 RYWNQRCLOFPEOJ-APWZRJJASA-N 330.428 1.544 0 40 EDAB COCCc1noc(-c2nc(-c3ccc(OC)c(OC)c3)no2)n1 98212377 UOJKWOFZYBGIRE-UHFFFAOYSA-N 332.316 1.993 0 40 EDAB Cc1ncsc1CN1CC[C@H]2C[C@@H](C(=O)NCC3CC3)O[C@H]2C1 96065464 DFFINLXUPLDUMK-KKUMJFAQSA-N 335.473 1.957 0 40 EDAB CN1CCO[C@@H]([C@H](NC(=O)c2cc[nH]n2)c2ccc(Cl)cc2)C1 96487469 GKJSTSAVWZSRTM-HUUCEWRRSA-N 334.807 1.865 0 40 EDAB Cc1nccc(N2CCN(C(=O)N[C@@H](C)c3cnn(C)c3)CC2)n1 97376482 HTKGIDPIDAXQSW-LBPRGKRZSA-N 329.408 1.111 0 40 EDAB CC(=O)N1CC[C@@]2(C[C@H](NS(=O)(=O)c3ccccc3)CCO2)C1 96208379 PGWSIDIJIXWKLF-GDBMZVCRSA-N 338.429 1.135 0 40 EDAB CCCc1ccc(S(=O)(=O)NC[C@H]2CCN(C(N)=O)C2)cc1 585114929 FSFZCISWTJJPJF-CYBMUJFWSA-N 325.434 1.318 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)O)C2)cc(C(=O)O)c1C 585122394 ZHXIDLGMIQPUPH-OLZOCXBDSA-N 341.429 1.783 0 40 EDAB Cc1csc(CN2Cc3cccn3C[C@H](OCC(=O)N(C)C)C2)n1 248043330 VVXGCMFQWASMJC-OAHLLOKOSA-N 348.472 1.742 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C3CCOCC3)CCN2C(C)=O)c1 257257271 KOVHFIVIIDCCNI-SFHVURJKSA-N 345.443 1.430 0 40 EDAB COC[C@@H]1CN(Cc2c(C)nn(C)c2Cl)C[C@H]1c1cnn(C)c1 585655578 DBSHAHQSPKMVHG-ZFWWWQNUSA-N 337.855 1.977 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)c3ccc4oc(=O)n(C)c4c3)CCO2)n1 257257737 KQWQNGNQLYGRLH-CQSZACIVSA-N 342.355 1.377 0 40 EDAB Cn1ccnc1C(=O)N1CCC2(CCO[C@@H]2Cc2cncnc2)CC1 257256426 KLLBKAUUGSZZRV-OAHLLOKOSA-N 341.415 1.464 0 40 EDAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)COc2ccc(F)cc2)[C@H]1O 257242447 ICMYEOBBMIPFLG-BFYDXBDKSA-N 325.380 1.981 0 40 EDAB Cc1occc1C(=O)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 252504211 VIGNZEIFXADNJX-NSHDSACASA-N 344.293 1.956 0 40 EDAB C[C@H]1CN(C(=O)Cn2cc(Nc3ncc(F)cn3)cn2)C[C@H](C)O1 253427281 LPQILQHXWCCXGK-QWRGUYRKSA-N 334.355 1.192 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CNC(=O)Cc3ccsc3)C2)ncn1 257276753 NUYQRHHZGHWZTE-QGZVFWFLSA-N 346.456 1.537 0 40 EDAB CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1O 257203414 APYGMYJMVFUHQV-QZTJIDSGSA-N 343.402 1.928 0 40 EDAB Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCN(S(C)(=O)=O)C2)n1 257229015 FWGKFQADIICUFJ-CYBMUJFWSA-N 349.460 1.978 0 40 EDAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cncs3)C2)ncn1 257330661 XPJGHKMWHVNZRO-INIZCTEOSA-N 347.444 1.345 0 40 EDAB COc1ccc([C@H](NC(=O)c2cnc(C)nc2C)C(=O)O)cc1F 263066941 OXPAIGCJEIDNCM-AWEZNQCLSA-N 333.319 1.797 0 40 EDAB C[C@H](CS(C)(=O)=O)NC(=O)NCCc1c[nH]c2ccc(F)cc12 265285054 GQCHNVADALCODS-SNVBAGLBSA-N 341.408 1.582 0 40 EDAB CCOC(=O)CN(Cc1ccccc1)c1ncnc2c1nnn2CC 1614999640 VYMWCMMEEAVSHR-UHFFFAOYSA-N 340.387 1.811 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)NC1CCN(C(C)C)CC1 1615615076 OAYRJGVLQVJWQI-LJQANCHMSA-N 331.460 1.784 0 40 EDAB COC(=O)[C@H]1C[C@H](NC(=O)c2cc(C)n(-c3cnccn3)c2C)C1 600114451 HRZOUHXMVZYQRO-JOCQHMNTSA-N 328.372 1.566 0 40 EDAB Cc1nnc(CN2CCN(c3cccc(C(F)(F)F)n3)CC2)n1C 606892148 JPQLQKJITFFRPI-UHFFFAOYSA-N 340.353 1.860 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1C 96098233 XKCFIWVFQLRIIC-UHFFFAOYSA-N 347.458 1.201 0 40 EDAB O=C1NCCN(Cc2ncccn2)[C@H]1c1ccccc1Br 390833011 AONFIOICRZDYQJ-AWEZNQCLSA-N 347.216 1.912 0 40 EDAB Cc1ncsc1C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C 390828016 NLUDADZVKZZACT-UHFFFAOYSA-N 338.414 1.835 0 40 EDAB O=C(N[C@@H]1CCN(c2nccn3cnnc23)C1)c1cc2ccccc2[nH]1 575414407 DNFLJVPEEMRIPT-CYBMUJFWSA-N 347.382 1.614 0 40 EDAB CS(=O)(=O)N1Cc2ccnn2CC[C@@H]1COc1ncccc1F 585096942 FWAWHFSBEPQECC-GFCCVEGCSA-N 340.380 1.030 0 40 EDAB Cc1ccc(OC[C@]2(O)COCCN(Cc3c(C)n[nH]c3C)C2)cc1 585275560 GKTBOUNHAIXIQT-LJQANCHMSA-N 345.443 1.977 0 40 EDAB CC1CC(C(=O)N2CCOC[C@H]2c2nccc(N3CCOCC3)n2)C1 585113146 NZOIRXOLRPXBBV-NRXISQOPSA-N 346.431 1.259 0 40 EDAB Cc1cnn(CC(=O)N2CC[C@H](Cc3ccccc3C)[C@@H](O)C2)c1 585278375 DBTINWPBKWRWEV-MSOLQXFVSA-N 327.428 1.952 0 40 EDAB Cc1ccc(CN(C)C[C@@H]2COC[C@@H](O)[C@H]2O)c(Br)c1 585291993 UWDAYKZFGBUXQP-YUELXQCFSA-N 344.249 1.558 0 40 EDAB C[C@H]1c2ncc(CCOc3ccccn3)n2CCN1S(C)(=O)=O 585097563 LVCMFENGBJKABC-LBPRGKRZSA-N 336.417 1.236 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@](O)(COc2ccc(F)cc2)C1 585272152 LNRYOQZVYWEDAE-GOSISDBHSA-N 347.390 1.751 0 40 EDAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585095678 BDIYCHCPJIUZRS-HNNXBMFYSA-N 334.420 1.757 0 40 EDAB O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)Cc2ccnn21)C1CC1 585112098 LCYSEMQREQNOEL-MRXNPFEDSA-N 346.456 1.522 0 40 EDAB CN(C)c1ccc(CCNC(=O)NCC(=O)NCC(F)(F)F)cc1 69490805 YVJCKFVMPBIFIP-UHFFFAOYSA-N 346.353 1.273 0 40 EDAB O=C(CCc1ccccc1)N1CCC(C(=O)N2CCC[C@H](O)C2)CC1 73722569 CEFDWMSMKUVBFZ-SFHVURJKSA-N 344.455 1.841 0 40 EDAB O=C(CS(=O)(=O)C1CC1)N[C@H]1c2ccccc2CC12CCOCC2 579919322 QQJXOIYETHYUJZ-KRWDZBQOSA-N 349.452 1.774 0 40 EDAB Cc1cc(N2CCN(c3ccc(C4CC4)nn3)CC2)n2ncnc2n1 585414042 LMDWOBJZDVSVDP-UHFFFAOYSA-N 336.403 1.427 0 40 EDAB CC(=O)N(C)[C@]1(c2nnnn2-c2ccccc2)CCOC(C)(C)C1 5149234 UVNNXJBOJYGYCW-QGZVFWFLSA-N 329.404 1.925 0 40 EDAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(=S)S[C@@H]1CC(=O)NC1=O 5575279 WTLZYWLCZTTYDO-PWSUYJOCSA-N 347.421 1.501 0 40 EDAB CCn1c(N2CCC(C(=O)NCCCO)CC2)nc2ccccc21 12116390 CSOAUBBWPCHHDR-UHFFFAOYSA-N 330.432 1.771 0 40 EDAB COc1ccccc1CCNC(=O)C[C@H]1CSc2nccc(=O)n21 12236212 OGGJESCTSLZBNM-ZDUSSCGKSA-N 345.424 1.648 0 40 EDAB COc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1 14728862 QJLIMOBLWLZORQ-UHFFFAOYSA-N 345.384 1.687 0 40 EDAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(CCOC)C1 19695757 FBGINNYBHRUPPF-IBGZPJMESA-N 343.427 1.969 0 40 EDAB CN1CCC[C@@H]1c1nnc2n1CCN(C(=O)c1ccccc1)CC2 19706520 YZRPGVGZVCSDDM-OAHLLOKOSA-N 325.416 1.743 0 40 EDAB O=C(COc1ccc(Cl)cc1Cl)N[C@@H]1C[C@H](O)[C@H](CO)C1 107286667 JZFNZHUERANLRO-PEXQALLHSA-N 334.199 1.620 0 40 EDAB CS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H]1CC12CCOCC2 532054771 VWWULTDVQKNWFV-HNNXBMFYSA-N 337.441 1.664 0 40 EDAB Cc1nc(N(C)CC2CN(C(=O)OC(C)(C)C)C2)nc(O)c1F 1888890654 OQCDLKXHSRYBFE-UHFFFAOYSA-N 326.372 1.933 0 40 EDAB Cc1ccc(NC(=O)CN2CCO[C@H](C(=O)N3CCCCC3)C2)cc1 1888928987 FCCCLSJPQKBRGX-KRWDZBQOSA-N 345.443 1.647 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C)c1 24089642 LAPYPVUTABZVOE-KSSFIOAISA-N 332.400 1.764 0 40 EDAB COc1ccc2nnc(CNC(=O)c3ccc(OC)c(F)c3)n2n1 244914810 BEWABWYWHGNSKP-UHFFFAOYSA-N 331.307 1.211 0 40 EDAB COc1cnccc1C(=O)N1CCC2(CC1)C[C@H](N(C)C)CCO2 1614941152 PGQVVHYAAWBHAD-CQSZACIVSA-N 333.432 1.806 0 40 EDAB CN(C)[C@H](CNC(=O)C(=O)NCc1cccs1)c1ccsc1 8863637 KMSYHBLFAAIDHE-CYBMUJFWSA-N 337.470 1.845 0 40 EDAB CC(C)C(=O)NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21 9822005 LBSXIMPKOAVYMT-UHFFFAOYSA-N 339.399 1.414 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2ccc(C)s2)C1 2055772347 AZBZWDHIHCDJOW-INIZCTEOSA-N 332.429 1.631 0 40 EDAB O=C(N[C@@H]1CCc2onc(CN3CCOCC3)c2C1)c1ccccn1 2055730127 CCVTUBAILJSCJP-CYBMUJFWSA-N 342.399 1.189 0 40 EDAB COc1ccc(-c2cc(=O)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1OC 61718074 ULXXBQZJBPMDTN-LLVKDONJSA-N 338.385 1.220 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)NCc1cccnc1OCC(F)(F)F 40074516 FDUQESDHJBFEKF-GFCCVEGCSA-N 345.321 1.650 0 40 EDAB CC(=O)Nc1ccc(CNC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1 30665726 HRYYMEINVCLAHW-IEBWSBKVSA-N 347.459 1.472 0 40 EDAB COc1cc(OC)c(OC)cc1CNCCN1C[C@@H](C)O[C@H](C)C1 30663225 WXHJIITUFJCMLR-ZIAGYGMSSA-N 338.448 1.911 0 40 EDAB Cc1cnc(C(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)cn1 40498478 LZZOZNRFVHKZOM-UHFFFAOYSA-N 348.428 1.402 0 40 EDAB COc1ccc(S(=O)(=O)NCc2ccc(C(N)=O)cc2)cc1F 40520492 SSFGTNOIGOERER-UHFFFAOYSA-N 338.360 1.412 0 40 EDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccco1 20727226 NDIPUDQQRJMJQG-CYBMUJFWSA-N 341.367 1.179 0 40 EDAB O=c1c(NCc2ccccn2)c(N2CCN(c3ccccc3)CC2)c1=O 101697318 ZSORXKFNLUOULC-UHFFFAOYSA-N 348.406 1.616 0 40 EDAB Cn1c(=O)c2[nH]c(SCc3nc4ccccc4o3)nc2n(C)c1=O 101621209 LJDIUJANOLRJSZ-UHFFFAOYSA-N 343.368 1.394 0 40 EDAB Cc1ccsc1/C=c1\s/c(=C\C(=O)c2ccco2)n(C)c1=O 32754887 NTHZXKHVNTYALY-WIOBTPJMSA-N 331.418 1.902 0 40 EDAB COc1ccc(-c2noc(CN(C)[C@H]3CCS(=O)(=O)C3)n2)cc1 32718862 VSEQPYIRTVPKDO-LBPRGKRZSA-N 337.401 1.364 0 40 EDAB COC(=O)c1cccc2c1CCCN2C(=O)CCNC(=O)[C@H]1C[C@@H]1C 41796804 HBASBPOLIPAKBN-WFASDCNBSA-N 344.411 1.915 0 40 EDAB CCCC[C@@]1(c2ccccc2)NC(=O)N(CCS(C)(=O)=O)C1=O 53466050 NHLLLKNPQZISPG-INIZCTEOSA-N 338.429 1.669 0 40 EDAB Cc1nc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cs1 42118148 LZXZRMVLVBSFOZ-UHFFFAOYSA-N 330.417 1.755 0 40 EDAB CCOC(=O)C1=C(COC(=O)CCc2ccccc2)NC(=O)N[C@H]1C 22860287 LEXORUYKNWFMKR-LBPRGKRZSA-N 346.383 1.681 0 40 EDAB Cc1nc(N2CCN(Cc3csc(C)n3)CC2)c2cnn(C)c2n1 54056110 YRJGUSLIUIPTCT-UHFFFAOYSA-N 343.460 1.759 0 40 EDAB CCC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc21 428752 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328.372 1.456 0 40 EDAB Cc1ccc(-c2noc([C@@H](C)N3CCN4C(=O)NC[C@H]4C3)n2)cc1F 107072291 PDSWFVABYYIATJ-YPMHNXCESA-N 345.378 1.955 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1ccc(Cl)s1 25525427 SQCGERHDNOQKRD-UHFFFAOYSA-N 327.793 1.336 0 40 EDAB O=C(Cn1cc(NC(=O)Nc2ccc3c(c2)OCO3)cn1)NC1CC1 56342615 MYAPYBIZLAIBDO-UHFFFAOYSA-N 343.343 1.534 0 40 EDAB O=C(c1cccnc1Cl)N1CCN(Cc2noc(C3CC3)n2)CC1 95394946 SLVIPOCPVIKPRI-UHFFFAOYSA-N 347.806 1.953 0 40 EDAB CNC(=O)c1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1 47989018 FKDAXEYKJOGENZ-UHFFFAOYSA-N 332.404 1.378 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@@H](c1cccc(F)c1)NC(=O)N2 35590212 ZFUTUHFFDUIAQQ-OAHLLOKOSA-N 333.363 1.703 0 40 EDAB Cc1cc(C)cc(OCC(=O)N2CCN(c3ncccn3)CC2)c1 3264612 LEIPUZHHOGFXDR-UHFFFAOYSA-N 326.400 1.821 0 40 EDAB O=C(Nc1ccnc2ccnn12)C1=NN(Cc2ccccc2)C(=O)CC1 108717423 GKQMEVFQDDKAIW-UHFFFAOYSA-N 348.366 1.846 0 40 EDAB Cc1nc2sc(C(=O)O[C@H](C)C(=O)NC3CC3)c(C)c2c(=O)[nH]1 9609822 GKWBTXGUXOWLLF-SSDOTTSWSA-N 335.385 1.425 0 40 EDAB CCc1nnc(CN2C(=O)[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2=O)o1 104380591 XXOSTOSPMRWMRI-OKILXGFUSA-N 340.383 1.249 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)Nc3cncc(Cl)n3)cnc12 58157756 MYDVNAZBZJRTFY-UHFFFAOYSA-N 329.747 1.787 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3)CC2)N1 58280498 CAFPGTIOEIDAEM-CHWSQXEVSA-N 347.802 1.644 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)Nc1cccc(-c2nnnn2C)c1 58297105 WNPLUFVDMIYRMS-UHFFFAOYSA-N 340.391 1.663 0 40 EDAB CCCN(CC(=O)NC)S(=O)(=O)c1ccc(OCC)cc1C 58265786 XROSZUGJWMVJKX-UHFFFAOYSA-N 328.434 1.540 0 40 EDAB O=C(NC1CC1)[C@@H]1C[C@@]12CCN(S(=O)(=O)c1cccs1)C2 107234183 LGFWEPJHIYYIJR-SMDDNHRTSA-N 326.443 1.427 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2c[nH]c3cc(Cl)ccc23)CC1 58314391 VAWLNVNTFQBWPX-UHFFFAOYSA-N 334.807 1.501 0 40 EDAB CC(C)CCc1cc(=O)[nH]c(N2CCN(C(=O)c3ccco3)CC2)n1 22448974 KWOXTIKCTGGCMG-UHFFFAOYSA-N 344.415 1.914 0 40 EDAB CCN(CC)CCOc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1 58411573 OUMZTDJWLWKNOK-SFHVURJKSA-N 349.475 1.468 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1 100637373 IEMDPPNEUUFQGC-GJZGRUSLSA-N 344.436 1.965 0 40 EDAB CCC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2cccc(C(C)=O)c2)C1=O 51373674 VZTVCCJUUDLYGZ-RDTXWAMCSA-N 348.399 1.740 0 40 EDAB CC1(C)NC(=O)N(CCN2CCC([C@@H](O)c3ccccc3)CC2)C1=O 45736688 RKSNLIRIULALQO-INIZCTEOSA-N 345.443 1.762 0 40 EDAB CN(Cc1ccco1)C(=O)NCc1cccnc1N1CCOCC1 45968556 LMYCMSOWWIKELK-UHFFFAOYSA-N 330.388 1.853 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N(C)CC(=O)NCC(F)(F)F)c1 48374848 COFHFXZDPXYSJD-UHFFFAOYSA-N 342.314 1.433 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N[C@@H]1CCS(=O)(=O)C1)=C2 46742064 HDIJWOIGRLHPRS-CYBMUJFWSA-N 337.397 1.164 0 40 EDAB O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccc2c(c1)OCCO2 3645048 YZHAPWLGJMKRMX-RDBSUJKOSA-N 345.399 1.186 0 40 EDAB Cc1ccc(-c2nnc(SCC(=O)NC3CC3)n2CC(=O)O)cc1 13035420 MZADJLYRFNWLNG-UHFFFAOYSA-N 346.412 1.709 0 40 EDAB C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NCCC(=O)N1CCOCC1 83184841 CBMGYLIANAVYCT-HUUCEWRRSA-N 333.432 1.727 0 40 EDAB COCCn1cc2c(n1)[C@H](NC(=O)c1cccc(OC)n1)CCC2 96002928 XWMUYBDGTQOKFC-CYBMUJFWSA-N 330.388 1.741 0 40 EDAB Nc1nc(N)nc(CN2CCC[C@@H]2c2nc3ccccc3s2)n1 49563555 GMDAVLFQTUMBCL-SNVBAGLBSA-N 327.417 1.983 0 40 EDAB COc1ccc(/C=C/C(=O)Nc2c(C)nc3ncnn3c2O)cc1 6269052 GRXWOZSYKWPKQU-VMPITWQZSA-N 325.328 1.799 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)Nn1cnc2ccccc2c1=O 14095328 UHTZFURGSGKHBG-UHFFFAOYSA-N 346.350 1.670 0 40 EDAB CN(C(=O)NCCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 65564002 ZMLCRPDZLQHPEW-GFCCVEGCSA-N 346.836 1.547 0 40 EDAB NC(=O)c1ncccc1NC(=O)CN1C(=O)CSc2ccccc21 65551822 COZNGWKYTXLSLV-UHFFFAOYSA-N 342.380 1.258 0 40 EDAB O=C(Nc1nccs1)C1CCN(C(=O)CCCn2cccn2)CC1 65533342 QTJZKMDPZSTDAY-UHFFFAOYSA-N 347.444 1.997 0 40 EDAB Cc1cc(C(F)(F)F)nn1CC(=O)N1N=CC[C@]1(O)C(F)(F)F 6787362 KZNURKCHHVPYRE-VIFPVBQESA-N 344.215 1.679 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 306123978 BCARQBMMIADORU-XBFCOCLRSA-N 327.446 1.085 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)CCC(=O)c2cccs2)c1 5862759 ACDJEJLEYJZEMZ-UHFFFAOYSA-N 338.410 1.997 0 40 EDAB COc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)NC1CC1 7124435 PIQPKPXMAYGOSD-UHFFFAOYSA-N 338.429 1.762 0 40 EDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H]1COc2ccccc2O1 67620219 CKZGQLWTWQHTEQ-CZUORRHYSA-N 332.400 1.686 0 40 EDAB Cc1cccc(C)c1OC[C@@H](C)NC(=O)N1CCS(=O)(=O)CC1 96404095 YUDYOVXMTILBOZ-CQSZACIVSA-N 340.445 1.511 0 40 EDAB Cc1csc(C(C)(C)NC(=O)CCn2nc3ccccn3c2=O)n1 96407427 NAEPZBQQUKHWRI-UHFFFAOYSA-N 345.428 1.703 0 40 EDAB Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)N1CCNC1=O 7618928 KTIVXBDTFYEHTM-UHFFFAOYSA-N 345.380 1.827 0 40 EDAB COCCNC(=O)C1CCN(c2ccc3nnc(C(C)C)n3n2)CC1 20727066 XXBVOWIGZYPRKE-UHFFFAOYSA-N 346.435 1.227 0 40 EDAB CCOC1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 71820690 YSHYKFSLHRATQW-UHFFFAOYSA-N 332.400 1.978 0 40 EDAB NC(=O)C1CCN(C(=O)Nc2nnc(-c3ccccc3)s2)CC1 71849611 JGCNSIIHUKJTIM-UHFFFAOYSA-N 331.401 1.934 0 40 EDAB CC(C)C[C@H](NC(=O)Nc1ccccn1)C(=O)N1CCC(CO)CC1 71850853 ARLSTKPAYSFXPP-HNNXBMFYSA-N 348.447 1.849 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)Cc2c(C)nc(C)[nH]c2=O)n1 71870183 ABZQHRXVMBGWLR-HNNXBMFYSA-N 343.431 1.434 0 40 EDAB CCN1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3nnc(C4CC4)o3)C2)C1=O 95402625 ZXMFEXAFQXYXNS-PXAZEXFGSA-N 347.419 1.489 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN1c1ncnc2sccc12 69326515 FHXFDCMKGQQPQL-WCQYABFASA-N 332.429 1.955 0 40 EDAB O=C(OCCn1nc2ccccn2c1=O)c1cncc2ccccc12 96501681 GQPCHTRREAZKJX-UHFFFAOYSA-N 334.335 1.901 0 40 EDAB CC(C)NC(=O)Nc1cccc(C(=O)N(C)CCN2CCOCC2)c1 69487505 HKKUTQGYDVVDGC-UHFFFAOYSA-N 348.447 1.621 0 40 EDAB CN(CC(=O)N(C)C)CC1CCN(C[C@H](O)c2ccccc2)CC1 69510431 PLNRKBIBYOYLJX-SFHVURJKSA-N 333.476 1.452 0 40 EDAB Cc1nc2c3ccccc3nc(N(C)[C@H](C)CS(C)(=O)=O)n2n1 71904236 IXWOHLXVIBFTLD-SNVBAGLBSA-N 333.417 1.455 0 40 EDAB NC(=O)CNC(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1 71913901 SULNBHMVXVOVJP-UHFFFAOYSA-N 347.415 1.120 0 40 EDAB Cc1cc(S(=O)(=O)NC2(C(N)=O)CCCC2)ccc1OC(C)C 71914077 XTOZALFWTSJKCY-UHFFFAOYSA-N 340.445 1.859 0 40 EDAB c1cncc(-c2noc(CN3CCCC[C@@H]3Cn3cncn3)n2)c1 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1.115 0 40 EDAB Cc1ccc(-c2noc(NC3CCN(S(C)(=O)=O)CC3)n2)cc1 97047752 GGZJAKCPCXEJHR-UHFFFAOYSA-N 336.417 1.881 0 40 EDAB O=C(COC(=O)[C@@H]1CSCN1C(=O)C1CC1)c1ccc(F)cc1 97124455 YZRWOGBUTXYWDV-ZDUSSCGKSA-N 337.372 1.863 0 40 EDAB CCc1cc(-n2nnnc2[C@@H]2CCCNC2)nc(-c2ccncc2)n1 97117837 GOOBWKXMNCWTHO-CYBMUJFWSA-N 336.403 1.544 0 40 EDAB Cn1cc([C@H](OC(=O)c2cc(C(N)=O)cn2C)C(F)(F)F)cn1 88814318 ADILCKSMAAPJCJ-JTQLQIEISA-N 330.266 1.318 0 40 EDAB COC(=O)[C@H](C)[C@H](NCc1cc(=O)n2nccc2[nH]1)c1ccccc1 89143315 PAUBCZAALFZTGZ-PXAZEXFGSA-N 340.383 1.663 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3c(F)cccc3Cl)C[C@]23C=C[C@H]1O3 4342982 SOIQCTCZLBBALQ-OQMKEHIESA-N 337.734 1.846 0 40 EDAB O=C(COc1ccc(F)cc1)NC1CCN([C@H]2CCOC2=O)CC1 89793225 JPIAHFPAMQLLHT-HNNXBMFYSA-N 336.363 1.101 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1nccn2ccnc12 89797772 HTCVJRLVMHXAMU-ZDUSSCGKSA-N 339.355 1.243 0 40 EDAB CCS(=O)(=O)CCNC(=O)Nc1ccc2nc(OC)ccc2c1 75582579 RYCRQPGTWQRHKD-UHFFFAOYSA-N 337.401 1.800 0 40 EDAB 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CO[C@](C)(C(=O)NCCC(=O)Nc1ncc[nH]1)c1ccccc1F 585088200 OSCYJOYBTAOGFX-INIZCTEOSA-N 334.351 1.555 0 40 EDAB COC(=O)C[C@@H]1CCCN1C(=O)CC1CCN(CC(F)F)CC1 585129728 UBJBCYGDRIJFPA-ZDUSSCGKSA-N 332.391 1.908 0 40 EDAB COC(=O)N(C)CCCC(=O)N(C[C@@H]1CCCO1)c1ccnnc1 585126447 ZGEGFFDYFXQKKZ-AWEZNQCLSA-N 336.392 1.467 0 40 EDAB C[C@@]12CN(CC(=O)NC(N)=O)C[C@@]1(C)CN(Cc1ccccc1)C2 585133685 QPNQXRDVMYQDIU-QZTJIDSGSA-N 330.432 1.025 0 40 EDAB CC(C)(C)OC(=O)c1cc(NC(=O)[C@@H]2CCS(=O)(=O)C2)ccn1 585126938 LUWIPCQKBJONSL-SNVBAGLBSA-N 340.401 1.410 0 40 EDAB COC(=O)N[C@@H](CC(C)C)C(=O)Nc1c[nH]nc1Br 585130259 LOENOIHPWZWLOB-ZETCQYMHSA-N 333.186 1.881 0 40 EDAB Cn1cc(CN2CC3(C[C@H](OCc4ccncc4)CCO3)C2)cn1 248104699 FPBNQKFYKNBANI-QGZVFWFLSA-N 328.416 1.765 0 40 EDAB Cc1ocnc1C(=O)N1CC[C@H](O)[C@@H](N(C)C2CCOCC2)CC1 257282705 OUXQOFMTRGOKAP-GJZGRUSLSA-N 337.420 1.059 0 40 EDAB NC(=O)CCN1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 257317362 VJLXCORKXLUNJV-PMPSAXMXSA-N 333.407 1.875 0 40 EDAB 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0 40 EDAB Cc1cnc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)nc1 1888899379 RIOYLTDBWBQGAS-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)Cc2cccc3cccnc23)CC1 41851412 PKHHSWQFZLLUJI-UHFFFAOYSA-N 347.440 1.318 0 40 EDAB Cc1ccc([C@H](C)NC(=O)C2=NN(c3ccccc3)C(=O)CN2)o1 42080725 GOIWMRWZRVMNNR-LBPRGKRZSA-N 326.356 1.715 0 40 EDAB CN1C[C@@]2(COCC1=O)CN(Cc1cccc(F)c1F)CCO2 2037984187 SRYHKKWDBAXYNQ-INIZCTEOSA-N 326.343 1.024 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)CC(=O)NCCc1ccccc1N2 2037985353 HBXYZWJTOCZVOU-UHFFFAOYSA-N 344.459 1.084 0 40 EDAB O=C(Cc1ccc(F)cn1)N1C[C@H]2CCN(CC3CC3)C(=O)[C@H]2C1 1565542776 QPZVUUOAVZYADT-CJNGLKHVSA-N 331.391 1.480 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 1565555574 DFXRIZUIVAUMSA-DLBZAZTESA-N 346.427 1.785 0 40 EDAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1nnc(-c2ccco2)o1 10619297 CQQCWEWOGLEGBZ-UHFFFAOYSA-N 347.352 1.883 0 40 EDAB CCc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NC3CCC3)C2)cn1 2055745667 SBFXLVOBOFDKQV-IXDOHACOSA-N 343.427 1.542 0 40 EDAB COCCN1CCC(CNS(=O)(=O)c2ccc(F)cc2F)CC1 22999855 WOGXKVIFSHFEGV-UHFFFAOYSA-N 348.415 1.602 0 40 EDAB CN(C)c1nc(CNC(=O)c2ccc(F)c(F)c2)nc(N(C)C)n1 575608655 XDQKYTMVVQCSNT-UHFFFAOYSA-N 336.346 1.212 0 40 EDAB COC(=O)C1(NC(=O)CCn2c(C)csc2=O)CCCCC1 30938597 FLCIHWBBPMRJBJ-UHFFFAOYSA-N 326.418 1.600 0 40 EDAB COc1ccc(S(=O)(=O)NCCN2CCCCCC2=O)cc1C 32443962 JRGPIAWJJGZZGI-UHFFFAOYSA-N 340.445 1.685 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ncccn2)CC1 32402304 YOZRVDHROXKITA-UHFFFAOYSA-N 336.392 1.435 0 40 EDAB CC(C)Cc1nnc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 101869195 WZZZHYADSUFNEC-PHIMTYICSA-N 348.428 1.626 0 40 EDAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102329859 IYLZVIBRIULOIL-OSTYVCCYSA-N 346.408 1.797 0 40 EDAB CCn1c(=O)c(=O)n(CC(=O)N2CCC(C)CC2)c2ccccc21 33068467 JTABTGXZNMDCFR-UHFFFAOYSA-N 329.400 1.442 0 40 EDAB OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22029873 CBZGXAXPEPQPLY-IBGZPJMESA-N 326.440 1.747 0 40 EDAB O=C(Cc1cnn(-c2ccccc2)c1)/N=c1/[nH]nc(-c2ccccn2)[nH]1 53525987 QEFWQDQHYKYPII-UHFFFAOYSA-N 345.366 1.656 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1noc2ccccc12 61443381 KZPOCYWFWLZJJP-MRXNPFEDSA-N 335.363 1.809 0 40 EDAB O=C(NCCN1CCCS1(=O)=O)c1occc1-c1ccccc1 61598016 WNRGQMZFDPWYMV-UHFFFAOYSA-N 334.397 1.712 0 40 EDAB CCN1CCC[C@H](NC(=O)c2ccc(OCC(=O)NC)c(OC)c2)C1 54141066 XYTKIYHTDVDOFC-AWEZNQCLSA-N 349.431 1.034 0 40 EDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)N(C)CCn2cccn2)o1 78880869 RSTVNZQKDBZZQC-AWEZNQCLSA-N 338.433 1.798 0 40 EDAB CN(C)Cc1ccc(CNC(=O)N2CCC[C@H](CC(N)=O)C2)cc1 78973485 PGXCJMYEVWQKQT-MRXNPFEDSA-N 332.448 1.545 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)c1ccc(S(N)(=O)=O)cn1 23718195 LMSUAESAASKHLS-NSHDSACASA-N 335.385 1.005 0 40 EDAB O=C1CC[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 3874475 DQCKKXVULJGBQN-QLIIJSOBSA-N 341.407 1.525 0 40 EDAB CCS(=O)(=O)c1cccc(CC(=O)N(C)[C@@H](C)c2cnn(C)c2)c1 97141705 RQHAXDKSFQYNAA-ZDUSSCGKSA-N 349.456 1.976 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]12 6472711 HDCIGZYTDLPJNV-OAFZBRQQSA-N 341.363 1.680 0 40 EDAB CC(=O)N1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 7599438 IEZHZSUSSSQUIH-UHFFFAOYSA-N 339.442 1.368 0 40 EDAB COCCCN(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 106555324 ZMPRALAXNCSHFD-VGWMRTNUSA-N 343.489 1.865 0 40 EDAB Cc1ccc(C)n1-c1c(C(=O)NCCNc2ncccn2)cnn1C 55993692 XTZCPBUOULSLCL-UHFFFAOYSA-N 339.403 1.460 0 40 EDAB CCn1nc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c2ccccc2c1=O 56017166 OURAHUBUCCGYTI-NWDGAFQWSA-N 342.399 1.142 0 40 EDAB Cc1cc(NC(=O)C(=O)N2CCC(Oc3ccccc3)CC2)no1 56377835 QWLQYMLVCKTRFZ-UHFFFAOYSA-N 329.356 1.992 0 40 EDAB Cc1cc(=O)n2c(n1)NC(N1CCN(C)CC1)=N[C@H]2c1ccccc1 9289433 ORICMVGGUBACQP-MRXNPFEDSA-N 338.415 1.128 0 40 EDAB CCCNC(=O)CN1CCC(NC(=O)Nc2ccc(OC)nc2)CC1 48018750 DNJQBMVDTUUMFH-UHFFFAOYSA-N 349.435 1.202 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1C(=O)O 3243752 YJSPJLDQEQNAIU-AOOOYVTPSA-N 329.374 1.191 0 40 EDAB O=S(=O)(NCc1ccccc1Cn1cncn1)N1CCCCC1 26863123 OVLUTFCSNIYTJL-UHFFFAOYSA-N 335.433 1.147 0 40 EDAB CCOC(=O)CCCNC(=O)COC(=O)c1ccc(Cl)cc1N 3246589 BGFRPDUVUHYPGH-UHFFFAOYSA-N 342.779 1.539 0 40 EDAB COc1cc(N2CCN(C(=O)COc3ccccc3)CC2)nc(C)n1 56900962 NHBMULPJAABHJN-UHFFFAOYSA-N 342.399 1.521 0 40 EDAB CCCn1nc2c(cc1=O)CN(CC(=O)N(C)Cc1ccco1)CC2 84759098 GJHKODRPHDUKDI-UHFFFAOYSA-N 344.415 1.263 0 40 EDAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@H]1CCS(=O)(=O)C1 48275179 YMLNRSWRNVOAPN-NSHDSACASA-N 337.426 1.502 0 40 EDAB O=C(NCc1ccc(-n2cncn2)nc1)c1cc(=O)c2ccccc2o1 48279133 RVNUTYYVWOIPRM-UHFFFAOYSA-N 347.334 1.699 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2)n2ncnc2N1C 20674193 ZBAQVWBUKYXIKA-MRXNPFEDSA-N 339.399 1.450 0 40 EDAB O=C(c1ccccn1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 179989792 OZHAHJUAEFNUAZ-UHFFFAOYSA-N 337.305 1.853 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1 62021789 OJOOELAZAYOBQW-CQSZACIVSA-N 330.306 1.921 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(Cl)cn12 28851412 DSHNQPXTFXBDBL-RXMQYKEDSA-N 348.215 1.972 0 40 EDAB C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)[C@H]1CCCO1 36758247 PAOUDZAAQXHHME-SWLSCSKDSA-N 338.429 1.524 0 40 EDAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(c2cnccn2)CC1 11545450 XOVPLUHLHWTHRF-UHFFFAOYSA-N 334.383 1.829 0 40 EDAB CCCn1nc(C(=O)N(C)Cc2ccc(C(N)=O)cc2)ccc1=O 29260842 MVRZAJNVKNNNGD-UHFFFAOYSA-N 328.372 1.024 0 40 EDAB CCN(C(=O)[C@H](C)S(=O)(=O)Cc1nc(C)no1)c1ccccc1 46129751 ALSKDTMOSZKVEH-NSHDSACASA-N 337.401 1.734 0 40 EDAB O=C(CCN1C(=O)CCC1=O)N[C@H](c1ccccc1)c1ccccn1 29715130 JOQWZKWBKBPEDS-LJQANCHMSA-N 337.379 1.826 0 40 EDAB Cc1noc(C)c1CN1CC[C@@]2(C[C@@H](Oc3ncccn3)CO2)C1 107785680 JIHQEUNGMZTORV-RHSMWYFYSA-N 330.388 1.894 0 40 EDAB CCOC(=O)CNC(=O)N1CCN(c2cccc(Cl)c2)CC1 3434397 HFCGJAIYPJEDMH-UHFFFAOYSA-N 325.796 1.735 0 40 EDAB CN(Cn1nc(-c2ccco2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12907519 IPSQEXOBEYMHJN-SNVBAGLBSA-N 342.446 1.287 0 40 EDAB CN(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cn1 25088622 VIYLUBLWFVKUDH-UHFFFAOYSA-N 348.428 1.407 0 40 EDAB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCSCC1 64489028 XLJRIWPPTAGKIQ-UHFFFAOYSA-N 334.850 1.901 0 40 EDAB COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)cc1 49725863 BINUKVNPMHBAIC-MRXNPFEDSA-N 331.416 1.074 0 40 EDAB CS(=O)(=O)c1ccc2nc(NC(=O)C3=COCCO3)sc2c1 4275432 TYAPKFMOTJZXOK-UHFFFAOYSA-N 340.382 1.527 0 40 EDAB CCN(CC)[C@H](CNC(=O)c1c[nH]c(=O)[nH]1)c1cccc(OC)c1 65399602 FYKHRCXSENPCLY-OAHLLOKOSA-N 332.404 1.525 0 40 EDAB Cc1cc(OCC(=O)NCCCO)c2c3c(c(=O)oc2c1)CCC3 5270620 QESTXKBNAAWRKL-UHFFFAOYSA-N 331.368 1.468 0 40 EDAB C[C@@H](CNC(=O)NCc1ccc(Cn2cncn2)cc1)N1CCCC1 65427861 DPIVFZFTJDQKGC-HNNXBMFYSA-N 342.447 1.610 0 40 EDAB COc1cccc(OC)c1C(=O)N[C@@H]1N[C@H](C(=O)O)C(C)(C)S1 4442458 SXSPMOIXMWGNIR-RISCZKNCSA-N 340.401 1.285 0 40 EDAB Cc1csc(N2CCN(CC(=O)NCc3ccccn3)CC2)n1 65611472 MAIQHAGSVKZNNH-UHFFFAOYSA-N 331.445 1.285 0 40 EDAB C[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 9337804 ZTKRXFXWKXDYOD-RYUDHWBXSA-N 325.434 1.393 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cn1 66798096 AGNXOELRKMRCIK-KBPBESRZSA-N 325.372 1.906 0 40 EDAB O=C(NOCc1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 71799725 JPBBIVDQBVXUGE-OAHLLOKOSA-N 333.388 1.151 0 40 EDAB CC(C)c1noc(CCNC(=O)NCC[S@](=O)C(C)(C)C)n1 96408907 LDTUYXWDOCGTHR-JOCHJYFZSA-N 330.454 1.582 0 40 EDAB CCc1cc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)cc(=O)[nH]1 96496598 ZTPFKNFIXHXKEO-KRWDZBQOSA-N 347.459 1.654 0 40 EDAB O=C(Nc1cnn(CCN2CCOCC2)c1)[C@@H]1COc2ccccc21 70009747 HKPKVFUURFASNO-MRXNPFEDSA-N 342.399 1.330 0 40 EDAB Cc1ccc(CCC(=O)Oc2cccc(C(=O)NCC(N)=O)c2)cc1 70038083 ZEGXGZHCFZPSBO-UHFFFAOYSA-N 340.379 1.748 0 40 EDAB Cc1csc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)CC2)n1 71841357 ARZGEAVOXRDYHL-KGLIPLIRSA-N 331.445 1.637 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)N[C@H](C)c2nncn2C)c1 69349697 PENLTJQGBLUGIC-CYBMUJFWSA-N 330.436 1.827 0 40 EDAB COCCN(CC1=NS(=O)(=O)c2ccccc2N1)Cc1ccco1 69367100 NRMBKVPWTLMUCC-UHFFFAOYSA-N 349.412 1.941 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC[C@H]1Cn1cccn1 71866644 JUNXSSSZQKCDFU-AWEZNQCLSA-N 330.388 1.608 0 40 EDAB CCc1nnc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)s1 8388906 RKCTTYQVLFYQLS-UHFFFAOYSA-N 325.394 1.150 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)c1 8380051 SDADQMYIQRNNHK-HUUCEWRRSA-N 336.457 1.792 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2cnsn2)C(N)=O)cc1 71826919 IKXDKNXYSKGGPL-NSHDSACASA-N 334.401 1.011 0 40 EDAB O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2c[nH]nn2)c1 69419281 NXQDYKBPNJUDBJ-UHFFFAOYSA-N 342.403 1.872 0 40 EDAB Cc1cc(N[C@H]2CCc3ncnn3C2)n2nc(C(F)(F)F)nc2n1 69459898 ABCVXCLRVNSKHK-QMMMGPOBSA-N 338.297 1.470 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC(Nc2cccnn2)CC1 71863420 XWKMEIWIBTXBTL-LBPRGKRZSA-N 340.449 1.093 0 40 EDAB COCCCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1cccc2c1OCCCO2 69558571 WZSWXRRYVLSEFU-CJNGLKHVSA-N 349.383 1.859 0 40 EDAB in-vitro CN1CCO[C@@H](CNC[C@H](O)COc2cccc(C(F)(F)F)c2)C1 69664958 ZLWDQCHDINZXGX-ZFWWWQNUSA-N 348.365 1.365 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NCc1cccs1 69702207 YTCDHMFUXYLWAG-JKSUJKDBSA-N 335.473 1.840 0 40 EDAB Cc1csc(-c2cccc(NC(=O)C[C@@H]3NC(=O)NC3=O)c2)n1 69771058 YBTRTLZWFCFIML-NSHDSACASA-N 330.369 1.655 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 69948520 RBUAFQARLHTYDZ-QJPTWQEYSA-N 345.369 1.420 0 40 EDAB Cc1cc(=O)[nH]c([C@H](C)N2CCC(CC(=O)N3CCCC3)CC2)n1 84114318 ZOGRTNBIKORBSU-AWEZNQCLSA-N 332.448 1.864 0 40 EDAB O=C(CCc1c(F)cccc1F)N1CCN([C@H]2CCC[C@H]2O)CC1 72269623 FTLCGIKHGYAPNS-DLBZAZTESA-N 338.398 1.955 0 40 EDAB Cc1nc2cc(C(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)ccc2n1C 72269195 HALBRGYAVPCCPF-ROUUACIJSA-N 342.443 1.553 0 40 EDAB NC(=O)c1ccc(CNC(=O)NCCc2nc3c(s2)CCCC3)o1 95980094 XWHGKBUGPHOKRO-UHFFFAOYSA-N 348.428 1.756 0 40 EDAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cn(C)nc1-c1ccccc1 89246153 CSJNJCWCSNTKHI-CHWSQXEVSA-N 347.440 1.735 0 40 EDAB Cc1noc(CN2CCN(S(=O)(=O)CC3CCCC3)CC2)n1 89721147 WHMGPLVVPKNYNM-UHFFFAOYSA-N 328.438 1.016 0 40 EDAB CCO[C@H]1C[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C12CCCCC2 76022976 UGVRIDUNMZAZLX-KGLIPLIRSA-N 349.431 1.123 0 40 EDAB COC[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 27468283 NXZOBMJIIRNGNY-CYBMUJFWSA-N 328.434 1.123 0 40 EDAB O=C(NCc1ccc(Cl)cc1)N1CCN(C[C@@H](O)C2CC2)CC1 85466787 WWPGXGSCTOADQU-MRXNPFEDSA-N 337.851 1.938 0 40 EDAB Cc1cccc(CNCCC(=O)N2CCN(c3ncccn3)CC2)c1 78979899 IDIZRHYXTQETKW-UHFFFAOYSA-N 339.443 1.614 0 40 EDAB C[C@H]1CCCN(c2nc(O)c3c(n2)CN(Cc2cnn(C)c2)CC3)C1 72335618 QQPPNSVLJSHBPV-ZDUSSCGKSA-N 342.447 1.710 0 40 EDAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 218399618 GURMLFBGOVMKKE-BZSNNMDCSA-N 331.437 1.872 0 40 EDAB COC(=O)c1ccc(OCc2noc(C(=O)N3CCCC3)n2)cc1 32073280 OMXMWIQMQXGMRD-UHFFFAOYSA-N 331.328 1.671 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccccc3)nc2n1 39746135 YSUWCOKCWZPIGX-UHFFFAOYSA-N 325.328 1.537 0 40 EDAB Cc1ccc2nc(CNc3ccc4c(c3)C(=O)N(C)C4=O)cc(=O)n2c1 25736631 NFYCDPKXEPUGIK-UHFFFAOYSA-N 348.362 1.841 0 40 EDAB Cc1cc(=O)c(O)c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1C 79190884 VVBYSEHYHBKYKN-KGLIPLIRSA-N 341.411 1.180 0 40 EDAB biogenic COC[C@@H](C)NS(=O)(=O)c1ccc(NC(C)C)c(C(=O)O)c1 217662412 TUXKFIYKIOEBMC-SNVBAGLBSA-N 330.406 1.518 0 40 EDAB O=C1CCSC[C@@H](C(=O)NCCCn2ccc3ccccc32)N1 227115492 DOEYYPUMLMHZIH-AWEZNQCLSA-N 331.441 1.769 0 40 EDAB COc1ccsc1S(=O)(=O)N1CCOC[C@@H]1c1nnc(C)o1 570006645 NKCGLMPOQZVRJE-SECBINFHSA-N 345.402 1.210 0 40 EDAB CNC(=O)NC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 571176117 SLSKGGOHQYIFGR-QGZVFWFLSA-N 332.448 1.285 0 40 EDAB CCc1cnc(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)s1 81204527 TYMHUBOZFUSGJQ-UHFFFAOYSA-N 338.477 1.758 0 40 EDAB NC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CC12CCOCC2 578011829 AUEYZNXZUHZNSS-MRXNPFEDSA-N 340.427 1.700 0 40 EDAB CN(C1CCN(C[C@H](O)c2cccc(Cl)c2)CC1)S(C)(=O)=O 96443293 QTNYSLSPODDMLB-HNNXBMFYSA-N 346.880 1.729 0 40 EDAB CCn1cc(C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)cn1 191707893 YGXAUHKEMRTNQN-UHFFFAOYSA-N 345.783 1.955 0 40 EDAB O=C(NCCc1ccncc1)[C@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1 96042871 PZQOYWWVXXBUFP-RCCFBDPRSA-N 329.444 1.630 0 40 EDAB CN(CC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)S(C)(=O)=O 96411046 RWXPDRKAQFDSPF-LLVKDONJSA-N 342.314 1.437 0 40 EDAB CCCCc1nnc(NC(=O)CN2CCC(n3cncn3)CC2)s1 96479758 BYVJGCMGQBIVTH-UHFFFAOYSA-N 349.464 1.748 0 40 EDAB Cn1cccc1C(=O)N1C[C@H](OCCN2CCCC2)[C@H]2OCCC[C@H]21 96187078 CHRINUDTMWZHBP-NJAFHUGGSA-N 347.459 1.510 0 40 EDAB CC(C)(C(=O)NCCCNS(C)(=O)=O)c1cccc(Cl)c1 96413176 BZKVMLOXWBHEDI-UHFFFAOYSA-N 332.853 1.673 0 40 EDAB CN(Cc1cn2c(n1)CN(Cc1cnn(C)c1)CC2)Cc1ccco1 96197466 NHGTUATXPASZRH-UHFFFAOYSA-N 340.431 1.857 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)cn1 96064670 YUFHWOHXNOIOCD-HZPDHXFCSA-N 330.432 1.157 0 40 EDAB CC(=O)N1CCC2(CC1)OCC(=O)N(Cc1csc(C)n1)[C@H]2C 96201595 PECFIRIKQBCAQV-NSHDSACASA-N 337.445 1.580 0 40 EDAB O=C(NCCCSc1nnnn1-c1cccc(F)c1)C(F)(F)F 95427307 JBCRUKUZFRTJHH-UHFFFAOYSA-N 349.313 1.962 0 40 EDAB CCc1ccc(CN2C[C@@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)o1 96186854 GUGZQDHANDCQLQ-ILXRZTDVSA-N 328.434 1.123 0 40 EDAB CN(C)C(=O)[C@H]1C[C@@H]2CCN(CCOCc3ccccc3)C[C@H]2O1 96066076 VCLUNHBAVBSTDJ-RCCFBDPRSA-N 332.444 1.771 0 40 EDAB Cc1cccc(CN2C[C@H]3C(=O)N(c4cnn(C)c4)CC[C@H]3C2)n1 96249159 SBLOFDLAPSCSAR-WMLDXEAASA-N 325.416 1.608 0 40 EDAB Cc1ccc(CNC(=O)CN2CCN(c3ccccn3)CC2)n1C 96435899 ZEPZIAYNOCJUPT-UHFFFAOYSA-N 327.432 1.167 0 40 EDAB CC[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)c1nccs1 96437093 NFGPEWZSJVDUCF-AWEZNQCLSA-N 345.472 1.928 0 40 EDAB Fc1ccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)cc1F 96108283 CYVVEHFWRPCUKD-QAPCUYQASA-N 338.398 1.745 0 40 EDAB Cc1nc(CN2CCC3(CC2)C[C@H]3C(=O)N2CCOCC2)cs1 96227805 KGNSLOUIVKYMPB-HNNXBMFYSA-N 335.473 1.912 0 40 EDAB CC(C)Cc1n[nH]c(NC(=O)Cn2nc3c(cc2=O)CCCCC3)n1 95472066 MSYTUCHKJWONHV-UHFFFAOYSA-N 344.419 1.468 0 40 EDAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(c4ncc(C)cn4)C[C@@H]32)N=C1C 96261504 VWAHXWBEKXKIGF-RVKKMQEKSA-N 343.431 1.277 0 40 EDAB COC(=O)[C@H](O)C1CCN(Cc2cccc(-n3cccn3)c2)CC1 92014385 SWCDCUHSCPXHBD-QGZVFWFLSA-N 329.400 1.618 0 40 EDAB CCc1nc(C)ncc1C(=O)N1CCC(CCN2CCOCC2)CC1 96411215 FMWSRNGWFAWKQI-UHFFFAOYSA-N 346.475 1.922 0 40 EDAB CN(C)C(=O)COCC[C@@H]1CCOC2(C1)CN(C1CCOCC1)C2 247941438 ADGKWRDJKKQYHW-OAHLLOKOSA-N 340.464 1.141 0 40 EDAB Nc1ncnc2c1ncn2CCCNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585126790 IMISPECCMMSQDO-AVGNSLFASA-N 328.420 1.741 0 40 EDAB Cc1cc(CNC(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)no1 585121210 IMROBQORKORFMP-YPMHNXCESA-N 341.408 1.463 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(=C(F)F)CC2)C1 585130630 WZZBALLTBYLUEY-LBPRGKRZSA-N 336.404 1.821 0 40 EDAB Nc1nccnc1C[C@H]1CCCN(C(=O)CCCn2ccnc2)C1 257309198 TZXSBJHNVUYIGY-CQSZACIVSA-N 328.420 1.517 0 40 EDAB O=C(Cc1cccc(O)c1)N1CCC[C@@](O)(CN2CCOCC2)CC1 257322507 WGGCQPUXHMXHOA-IBGZPJMESA-N 348.443 1.011 0 40 EDAB O=C(Cn1cccn1)N1CCCC[C@H]1c1cc(O)n2nccc2n1 257225540 FGQXWZFBHPFOJW-ZDUSSCGKSA-N 326.360 1.385 0 40 EDAB O=S(=O)(c1cccnc1)N1CCOC[C@H](Cc2ccccc2)C1 257230054 GAPCWHOUCFGNDW-MRXNPFEDSA-N 332.425 1.961 0 40 EDAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2cnn3cccnc23)[C@H]1O 257321841 WDMQPQVQDXHZOV-RBSFLKMASA-N 340.387 1.119 0 40 EDAB Cc1ccc(CC[C@@H](C)NC(=O)N2CCOC[C@@H]2c2ncnn2C)o1 252488328 IPEVUJRUBBNQCB-IUODEOHRSA-N 347.419 1.821 0 40 EDAB C[C@@](O)(CCc1ccccc1)C(=O)N1CCC[C@H](c2nnc[nH]2)C1 252487664 HZEXPSXNPAJUTI-MAUKXSAKSA-N 328.416 1.895 0 40 EDAB CNC(=O)c1cc(C[C@@H]2CCCN(c3ccncn3)C2)nc(C)n1 257222752 DUOTXGSDHCEXOC-ZDUSSCGKSA-N 326.404 1.394 0 40 EDAB Cc1nn(C)c(C)c1-c1nccnc1[C@@H]1CCCN(S(C)(=O)=O)C1 257257901 KROMLAGZJHLDFG-CYBMUJFWSA-N 349.460 1.633 0 40 EDAB O=C(NCc1ccccc1)N1CCN(C[C@@H](O)c2ccco2)CC1 85466839 VNQMKYOBRDIWEO-MRXNPFEDSA-N 329.400 1.840 0 40 EDAB Cc1nccn1CC(=O)N1CCCC[C@@H]1c1cc(O)n2nccc2n1 257231684 GHVJVSHIIFFWOK-CQSZACIVSA-N 340.387 1.694 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3c(c2)OCCO3)n1 257247339 IYNQCRQWKGFFFT-ZDUSSCGKSA-N 329.356 1.703 0 40 EDAB Cc1cnc(CCNC(=O)[C@H]2CN(c3ccc(F)cc3)CCN2)s1 257282697 OUWXMEXNHLMCIZ-OAHLLOKOSA-N 348.447 1.728 0 40 EDAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN3C3CCOCC3)ccnc12 257318509 VOFWLLBPILACLA-HNNXBMFYSA-N 343.431 1.747 0 40 EDAB COC1(CO)CCN(c2nnnn2CCc2cccc(C)c2)CC1 1616032649 HHKIRPLLKVTNGB-UHFFFAOYSA-N 331.420 1.202 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cccnc1)OC 96385105 UOLAGHITLITHRA-OAHLLOKOSA-N 329.356 1.533 0 40 EDAB COc1nc(CNC(=O)Nc2c(F)cccc2F)nc(N(C)C)n1 575604107 QQFHZUDBMMYVDD-UHFFFAOYSA-N 338.318 1.546 0 40 EDAB Cc1cccc(S(=O)(=O)N[C@@H](c2cnn(C)c2)c2noc(C)n2)c1 585141927 IQUQQWQTEGFKBO-AWEZNQCLSA-N 347.400 1.488 0 40 EDAB Cn1cnc2c1[C@@H](C(=O)N1CC(F)(F)C1)CN(Cc1ccco1)C2 585110885 UCVWLFWECOEKCB-LBPRGKRZSA-N 336.342 1.590 0 40 EDAB CC(=O)N1CCC(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 65415716 BKNZKNNOYLGGGL-INIZCTEOSA-N 348.447 1.727 0 40 EDAB COc1cccc(CC(=O)N2CCN(C(=O)C3CCOCC3)CC2)c1 66030619 BKWSIEFWNOIWAH-UHFFFAOYSA-N 346.427 1.335 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3c(C)nn4cccnc34)C2)n1 72235500 STVNVSLPGQRJJA-AWEZNQCLSA-N 339.403 1.723 0 40 EDAB O=S(=O)(c1cc(F)cc(F)c1)N1CCN(CC(F)(F)F)CC1 44451831 JMEAMYLEWMYZLV-UHFFFAOYSA-N 344.305 1.833 0 40 EDAB CCn1nc(C)c(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)c1C 73119230 PAZXVOBGDGUYRP-NSHDSACASA-N 335.477 1.769 0 40 EDAB CCc1nc(C)ncc1C(=O)N1C[C@H](CC)[C@H](N2CCOCC2)C1 83817539 UKYBDJGTWBGBSH-WMLDXEAASA-N 332.448 1.530 0 40 EDAB C[C@H](O)CN1CCC(CN(C)Cc2nnnn2-c2ccccc2)CC1 75131282 FIUFJHWJEZKJIZ-HNNXBMFYSA-N 344.463 1.187 0 40 EDAB Cc1noc(Cl)c1CC(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 76091471 IWNXKTKCDITGGT-SECBINFHSA-N 342.852 1.814 0 40 EDAB O=Cc1ccccc1S(=O)(=O)N1CCCC[C@H]1CCn1ccnn1 1616034014 GPBPWNOHXIBWOQ-HNNXBMFYSA-N 348.428 1.724 0 40 EDAB Cc1cccc(OC[C@]2(O)COCCN(Cc3cncn3C)C2)c1 1615192457 TZZBRVWGCDULKK-GOSISDBHSA-N 331.416 1.371 0 40 EDAB Cc1cc2n(n1)C1(CCN(Cc3ccccn3)CC1)CC(=O)N2C 1772596192 RZROMAKACRSNRV-UHFFFAOYSA-N 325.416 1.944 0 40 EDAB COc1ccc(NC(=O)Cn2nc(-c3ccco3)cc(N)c2=O)cc1 12146621 YPBMQXDFKXNASN-UHFFFAOYSA-N 340.339 1.733 0 40 EDAB CCOC(=O)[C@@]1(Cc2cc([C@@H]3CCCNC3)no2)CCCN(C)C1 12275168 PTWLDRVNIUIKQH-RDTXWAMCSA-N 335.448 1.959 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)CCn1cccn1 13226875 QDIMBDQVSDIDPJ-DZGCQCFKSA-N 336.399 1.913 0 40 EDAB O=C(C1CCCC1)N1CCc2c(O)nc(-c3cnccn3)nc2C1 13268100 VUSDXQAZKLFAQS-UHFFFAOYSA-N 325.372 1.714 0 40 EDAB CCn1cc(CNS(=O)(=O)c2cc(OC)ccc2OC)cn1 14249509 WFVNIFSSWAPQLY-UHFFFAOYSA-N 325.390 1.399 0 40 EDAB CO[C@H]1CCN(Cc2cn(C)cn2)CC[C@@H]1CC(=O)N1CCCC1 643913475 CNFHTMCCQRQHBM-WBVHZDCISA-N 334.464 1.660 0 40 EDAB COCCNC(=O)CSc1nnc(-c2ccccc2Cl)n1C 5448225 CTKJFNAAZUUFST-UHFFFAOYSA-N 340.836 1.990 0 40 EDAB CN(c1ccncn1)C1CCN(CC(=O)N2CCCCCC2)CC1 1849198270 UVHIFMADQUBDAI-UHFFFAOYSA-N 331.464 1.780 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 1888849359 ACOBZZJPSKFIAX-IAGOWNOFSA-N 339.395 1.908 0 40 EDAB CN(CC1CN(c2ncnc3sccc23)C1)S(=O)(=O)C1CC1 1888856933 XKZCPPWGJIRNGE-UHFFFAOYSA-N 338.458 1.552 0 40 EDAB Cc1nc(C)c(CN2CCO[C@H](C(=O)N3CCSCC3)C2)s1 1888890521 XRVOOQUYPBKKDH-ZDUSSCGKSA-N 341.502 1.536 0 40 EDAB COc1cccc(N2CCN(c3cc(-n4cncn4)ncn3)CC2)c1 1888906268 DDSJLGDUPPHDHZ-UHFFFAOYSA-N 337.387 1.393 0 40 EDAB Cc1nc(N2CCO[C@H](C(=O)N3CCCC3)C2)cc(C(F)(F)F)n1 1889095565 ZNIZJIKONJBHQT-NSHDSACASA-N 344.337 1.631 0 40 EDAB Cc1cc(Br)cc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 390833643 KTZCWUXBYBPWPR-AWEZNQCLSA-N 339.233 1.914 0 40 EDAB CC1CCN([C@@H]2CSC3(C2)CN(C(=O)c2cn(C)cn2)C3)CC1 2056223553 RORDECIRTVXCSU-AWEZNQCLSA-N 334.489 1.852 0 40 EDAB c1ccc2[nH]c(CN3CCN(c4ccc5nccn5n4)CC3)nc2c1 2087066788 RUDXDKFDWJFVSI-UHFFFAOYSA-N 333.399 1.928 0 40 EDAB O=C(N1CC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1)C1(F)CCC1 1565546583 HMMXTOLVGGMKAX-WFASDCNBSA-N 338.358 1.680 0 40 EDAB CC[C@@H](C)NC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 4374571 ROWDKJOTGBKPTM-VXGBXAGGSA-N 335.404 1.907 0 40 EDAB Cn1cccc1[C@@H](CNS(=O)(=O)c1ccccc1)N1CCOCC1 21154165 LZQUKXIPJWTABP-QGZVFWFLSA-N 349.456 1.377 0 40 EDAB COCCN1CCC(CNC(=O)c2cc(OC)cc(OC)c2)CC1 23127914 JUGLLFIVEBXZAB-UHFFFAOYSA-N 336.432 1.792 0 40 EDAB COCc1cn([C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)nn1 575618252 KPFFAENPDOUBLV-CQSZACIVSA-N 325.372 1.993 0 40 EDAB O=C(NCCCOC[C@@H]1CCCO1)NCc1ccc2c(c1)OCO2 30993038 YVPORWSIHYSWMG-AWEZNQCLSA-N 336.388 1.800 0 40 EDAB Cc1nc(CSc2ccccc2C(=O)N[C@@H]2CCCNC2=O)no1 50635536 CQFFZBQXXQWQSI-GFCCVEGCSA-N 346.412 1.679 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 31389991 GPAKNPNPBWRXHX-ZDUSSCGKSA-N 339.399 1.647 0 40 EDAB COc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1N 20344802 JVFLACVVYZXOGI-SNVBAGLBSA-N 339.351 1.901 0 40 EDAB CC(C)(CNC(=O)NC[C@@H]1COc2ccccc2O1)N1CCOCC1 40477800 LWFNEDHJGPOYQA-CQSZACIVSA-N 349.431 1.236 0 40 EDAB C[C@H]1CCCCN1CCNC(=O)Cn1cnc2ccc(F)cc2c1=O 40535711 TYEUCLCUQOUUIF-ZDUSSCGKSA-N 346.406 1.526 0 40 EDAB COc1cccc(CCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1OC 32718963 BCHSRQHHLVSFNW-INIZCTEOSA-N 341.429 1.330 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NC[C@H]3CN(CC(C)C)CCO3)cc12 32269264 ZVBSFUXTKKAXCA-HNNXBMFYSA-N 345.447 1.363 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3cccs3)CC2)C1 51874493 RQEJARGPLJTCHK-ZDUSSCGKSA-N 336.461 1.183 0 40 EDAB Cc1ccc(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)n1C 21328420 BEHFCQJULRODSU-UHFFFAOYSA-N 347.440 1.803 0 40 EDAB O=C(Cc1cn2ccsc2n1)N1CCN(c2nccs2)CC1 21472449 HSPOJKBXFCQUNX-UHFFFAOYSA-N 333.442 1.744 0 40 EDAB Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1[C@@H]1CCS(=O)(=O)C1 22024580 JUULOWYFOOVXLZ-CYBMUJFWSA-N 339.413 1.600 0 40 EDAB O=C(NCCNS(=O)(=O)c1cccs1)c1c[nH]c2ccccc12 12321428 ZYISGONAPNXUIY-UHFFFAOYSA-N 349.437 1.938 0 40 EDAB Cc1ccc(Cl)cc1NC(=O)C(=O)NCCCN1CCOCC1 23006478 SJUQTVNHVOTWRN-UHFFFAOYSA-N 339.823 1.425 0 40 EDAB CN(Cc1ccnn1C)C(=O)c1cc2ncc(Br)cn2n1 2789574 IZCZBARJLUADTF-UHFFFAOYSA-N 349.192 1.498 0 40 EDAB O=C(N[C@H]1CCN2C(=O)c3ccccc3NC(=O)[C@@H]2C1)C1CCCC1 3841296 MAGIKNKENWHFOM-BBRMVZONSA-N 341.411 1.918 0 40 EDAB biogenic,in-vitro Cc1cc(N2CCN(C(=O)CCn3cncn3)CC2)nc(C(C)C)n1 54812685 SSEICQMYIHPHBJ-UHFFFAOYSA-N 343.435 1.239 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24538955 YGUAKGYLOVDGBJ-WCQYABFASA-N 332.356 1.063 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccccc2)C1=O 34468904 ATZNSISDOMZKRX-HOTGVXAUSA-N 337.379 1.246 0 40 EDAB C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)C(=O)N1CCC(C(N)=O)CC1 97032991 XKEIKMFJPVXOHK-QWRGUYRKSA-N 339.386 1.728 0 40 EDAB CCOc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1OC 106166545 XELZWHRGONPAAL-GJZGRUSLSA-N 334.416 1.687 0 40 EDAB O=C1C[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)c2ccccc2N1 55311072 CCMDNUWHPBTHSF-LBPRGKRZSA-N 341.333 1.819 0 40 EDAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(O)CC1 43302469 FMVGMUXFQWXDPH-AWEZNQCLSA-N 333.432 1.307 0 40 EDAB Cc1nc(CN2CCCN([C@H](C)C(=O)NCc3ccco3)CC2)no1 106869372 YXRQRTXLEVXYRR-CYBMUJFWSA-N 347.419 1.184 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H](C(=O)NC3CC3)c3ccccc3)CCO2)n1 107056717 DFYAITDINWDKHC-JKSUJKDBSA-N 341.415 1.506 0 40 EDAB CN1N=C(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CCC1=O 43750144 NEEQUNBQOCTUNY-UHFFFAOYSA-N 342.443 1.548 0 40 EDAB OCCN1CCN(CCc2nc(-c3ccc4cc[nH]c4c3)no2)CC1 72405200 ITESXHCDLRXARX-UHFFFAOYSA-N 341.415 1.370 0 40 EDAB O=C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)NC1CCCC1 35598335 NUKHASKUIUQAPM-UHFFFAOYSA-N 341.459 1.739 0 40 EDAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)CCNC(=O)[C@H]1C[C@H]1C 44736108 TYOIKVVISOMQJJ-DOMZBBRYSA-N 343.427 1.988 0 40 EDAB CCOC(=O)C1=C(CNCCCOC)NC(=O)N[C@H]1c1ccccc1 58158718 ZJPBTZRLSXOEGE-INIZCTEOSA-N 347.415 1.484 0 40 EDAB C[C@H](Cn1cccn1)NS(=O)(=O)c1ccccc1OC(F)F 58265451 BXYFYLIBGSIQPH-SNVBAGLBSA-N 331.344 1.852 0 40 EDAB O=C(Nc1ccc[nH]c1=O)c1ccc(S(=O)(=O)C(F)F)cc1 58277354 XSFNLGJQCRRVRC-UHFFFAOYSA-N 328.296 1.624 0 40 EDAB C[C@@H](OC[C@H](O)CNc1ncnc2c1cnn2C)c1ccccc1 44976122 ITIBOGRWEYXSTR-TZMCWYRMSA-N 327.388 1.914 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 44902799 WMOXKKRSJVQIRS-LSDHHAIUSA-N 347.463 1.356 0 40 EDAB biogenic NC(=O)c1cccc(CCNC(=O)Cc2cnn(-c3ccccc3)c2)c1 58323898 DZFKAUFCNFZDTP-UHFFFAOYSA-N 348.406 1.873 0 40 EDAB Cc1cccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)n1 58343641 PYGKNMUFZLXKAD-DZGCQCFKSA-N 332.448 1.955 0 40 EDAB CCC1(CC)NC(=O)N(C[C@@H](O)CN2CCc3ccccc3C2)C1=O 58434961 SITSRDHYEPQICQ-INIZCTEOSA-N 345.443 1.516 0 40 EDAB Cc1nccc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)n1 58412260 QQGTXCVLCOYHFZ-UHFFFAOYSA-N 334.379 1.925 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC[C@H](O)C2)nc1 58421418 AFCHHUAWZTVULN-STQMWFEESA-N 327.450 1.510 0 40 EDAB C[C@@H](CNC(=O)c1ccc(N2CCOCC2)cc1)CN1CCCC1 58412468 UIJXJLQPINAZLY-INIZCTEOSA-N 331.460 1.985 0 40 EDAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(N)(=O)=O 29651906 GISOLDPFJIWDDP-NSHDSACASA-N 334.397 1.834 0 40 EDAB CNC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22230920 FSDVPUQEMYHNHS-UHFFFAOYSA-N 348.424 1.778 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1 29190171 JLYRNALJZAYIQI-AWEZNQCLSA-N 338.429 1.190 0 40 EDAB CS(=O)(=O)CCCC(=O)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 102695810 MGNZFMAEZBSULF-KFWWJZLASA-N 328.478 1.144 0 40 EDAB CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)CC 59490275 ZSAWWCYTLXZDGP-LBPRGKRZSA-N 328.434 1.766 0 40 EDAB CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)n1 95447326 VPTFRUFPWCQOCE-YPMHNXCESA-N 344.406 1.926 0 40 EDAB Cc1nn(CC(=O)NCCCn2cccn2)c(C)c1Br 28573332 MEXWUHXZKDPVEP-UHFFFAOYSA-N 340.225 1.665 0 40 EDAB Cc1cc(C(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)[nH]1 23509769 LIUPEXHRCSVUSX-UHFFFAOYSA-N 342.417 1.029 0 40 EDAB Cc1noc(CCCC(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)n1 46745505 YCEDWQDFHUKFTP-JTQLQIEISA-N 344.371 1.909 0 40 EDAB Cc1cc(N2CCN(C(=O)NC[C@H]3CCOC3)CC2)nc(C(C)C)n1 47067878 JLEQFZGRGMSVAC-OAHLLOKOSA-N 347.463 1.777 0 40 EDAB CN1CCO[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2ncon2)C1 95446664 DJYYTQXNEDOZNI-OLZOCXBDSA-N 336.779 1.259 0 40 EDAB COCCNC(=O)[C@@H](C)Oc1ccc(C(=O)O)cc1Br 13316405 XKJWXWIXQSEJCZ-MRVPVSSYSA-N 346.177 1.677 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)NC[C@H]2C[C@H]2C2CCCCC2)CC1 96014013 CXIFXPAZYZLOIU-CVEARBPZSA-N 342.505 1.991 0 40 EDAB O=C(N[C@H](c1nnn[nH]1)C1CC1)c1ccn(-c2ccccc2Cl)n1 72285487 FORLPMUXXKHRQV-ZDUSSCGKSA-N 343.778 1.920 0 40 EDAB CCc1cc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)[nH]n1 72294763 GHJITDGKBRMOMK-QGZVFWFLSA-N 328.416 1.489 0 40 EDAB CC(C)Cc1nnc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)s1 49590149 LUIWKKSFNHSQFR-SECBINFHSA-N 332.451 1.099 0 40 EDAB Cc1ccc(C(=O)CCC(=O)N2CC[C@@H](N3CCOCC3)C2)s1 72297653 PEVYCCZGTSSHLI-CQSZACIVSA-N 336.457 1.953 0 40 EDAB CCO[C@@H](C)c1noc(CN2CCN(C(=O)N(C)C)CC2(C)C)n1 95464636 LIGZUDFUMJVVKS-LBPRGKRZSA-N 339.440 1.745 0 40 EDAB CCc1nn(C)c(CC)c1CN1CCN(c2cncc(OC)n2)CC1 93477562 OPZBMCWYSGMOPC-UHFFFAOYSA-N 344.463 1.666 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2CC(=O)Nc2nnc(C)s2)c1 72253311 WLELGLANNCVEIN-CYBMUJFWSA-N 334.449 1.845 0 40 EDAB CC(=O)N(C)CC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 65446951 BCYQKZCKPXMRTD-UHFFFAOYSA-N 326.780 1.596 0 40 EDAB Nc1nc(N)nc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1 14022931 HJIHBVZTSGDRLP-LBPRGKRZSA-N 342.403 1.534 0 40 EDAB CC1CCC(N2CCC(NC(=O)NCc3ncnn3C)CC2)CC1 95404577 MQSLESVXFIZJDR-UHFFFAOYSA-N 334.468 1.657 0 40 EDAB C/C(=C\C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)C1CC1 96257500 MCIIJXADQCXQDK-UKTHLTGXSA-N 330.432 1.745 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)n1 72235451 XBQLNMNKFKJYLQ-JKSUJKDBSA-N 336.436 1.644 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H](C(F)(F)F)C1 71794651 LFEOWARUXORBBZ-WOPDTQHZSA-N 335.370 1.373 0 40 EDAB COC(=O)c1sccc1NC(=O)CN1CCN(CC(C)C)CC1 71775387 RIOZLBGSUDPYDZ-UHFFFAOYSA-N 339.461 1.747 0 40 EDAB C[C@@H](C(=O)NCC1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 67833214 HSAOJCQXTVDQGK-AWEZNQCLSA-N 338.473 1.448 0 40 EDAB O=C(/C=C/c1nc2ccccc2o1)N1CCN(c2ncccn2)CC1 7985137 ASTKPBXPCGIQLZ-VOTSOKGWSA-N 335.367 1.980 0 40 EDAB COc1cc(CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)ccc1O 81475887 DSQNOOGEJROTMA-ZDUSSCGKSA-N 334.294 1.610 0 40 EDAB CCn1cnnc1CNC(=O)c1nn(-c2ccc(F)cc2C)cc1O 81675758 PMKXERUJDNQZCZ-UHFFFAOYSA-N 344.350 1.567 0 40 EDAB NC(=O)c1ccc(OCC(=O)N2CCCC[C@@H]2Cn2cccn2)cc1 70038390 HYONQFZLRMYUKC-OAHLLOKOSA-N 342.399 1.442 0 40 EDAB NC(=O)c1cccnc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1 70040588 PLHSYPHGMZSFBY-UHFFFAOYSA-N 343.362 1.674 0 40 EDAB CCN(CC)S(=O)(=O)CCNC(=O)N(C)[C@H](C)c1ccccn1 71883623 AGXMCBNZWSRNGX-CYBMUJFWSA-N 342.465 1.456 0 40 EDAB Cc1cnn(C[C@@H]2CN(C[C@@H](O)COc3ccccc3C)CCO2)c1 69458753 HRLXJIRHYSAVGL-MSOLQXFVSA-N 345.443 1.641 0 40 EDAB CC(C)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 69459185 ALDARQYNQJZBIH-CYBMUJFWSA-N 328.409 1.751 0 40 EDAB O=C(CCCn1cnc2ccccc2c1=O)N1CCN(C2CC2)CC1 71836726 FFBOTCJQKMQUJT-UHFFFAOYSA-N 340.427 1.483 0 40 EDAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(N)=O)n2C)cc1 409131445 XXWZMLKIIWRJOQ-JTQLQIEISA-N 333.417 1.192 0 40 EDAB O=C(CNC(=O)c1ccccc1O)Nc1ccc(-n2cncn2)cc1 71892614 WGVAWEQXNBNXEZ-UHFFFAOYSA-N 337.339 1.341 0 40 EDAB O=C(Cn1cccnc1=O)N1CCC(Cc2ccc(F)cc2)CC1 69519086 QGMYMKRKRQDYAD-UHFFFAOYSA-N 329.375 1.864 0 40 EDAB CCC(=O)N1CCCN([C@H]2CCN(c3ccccc3F)C2=O)CC1 71900512 QKPLCICWWSLKCD-INIZCTEOSA-N 333.407 1.875 0 40 EDAB O=C(CNC(=O)Nc1cnn(-c2ccccc2)c1)NCC(F)(F)F 71921414 ZVHGSGKDGUOUCI-UHFFFAOYSA-N 341.293 1.672 0 40 EDAB c1cncc(-c2noc(CN[C@@H]3CCCN(c4cccnn4)C3)n2)c1 69875122 OYFCMXGCWPZIBI-CQSZACIVSA-N 337.387 1.680 0 40 EDAB CCO[C@@H]1C[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C12CCCC2 71920773 NJFRPMHHCXWWKN-QWHCGFSZSA-N 332.466 1.074 0 40 EDAB C[C@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)N1CCCC[C@@H]1C 71904030 LGUGTCZTRJEHJL-STQMWFEESA-N 344.477 1.250 0 40 EDAB CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCOC(C)(C)C1 69902730 UOAKNTZNTPUPAS-CQSZACIVSA-N 344.419 1.490 0 40 EDAB CCc1ccc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)o1 69918532 OUQCWHPLQAMYJA-UHFFFAOYSA-N 327.384 1.764 0 40 EDAB COc1ccc(-c2noc(CCC(=O)NC[C@H]3CCOCO3)n2)cc1 83952347 ZVDNJGYVRVXXCS-CQSZACIVSA-N 347.371 1.557 0 40 EDAB CN(Cc1ncnn1C)C(=O)c1ccc(N2CCCCCC2)nc1 72305557 MESHURCXSNQEIB-UHFFFAOYSA-N 328.420 1.863 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC1CCN(CC)CC1 97299749 OQKYCQXTORDUCR-MRHLJLSQSA-N 339.505 1.845 0 40 EDAB Cn1cc([C@@H]2CN(S(=O)(=O)Cc3ccccc3F)CCO2)cn1 97012760 NEXWVQSSUUOVAD-HNNXBMFYSA-N 339.392 1.463 0 40 EDAB O=S1(=O)CC[C@H](N2CCN(Cc3cccc(F)c3F)CC2)C1 95961515 GMNPCJULSHAEOX-ZDUSSCGKSA-N 330.400 1.270 0 40 EDAB CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCc1nccn1CC(F)(F)F 95974454 BWORUMJVKXPAON-QWRGUYRKSA-N 334.342 1.748 0 40 EDAB Cn1ccc(C(=O)NCc2ccn(-c3ccc(F)cc3)n2)cc1=O 95979820 VFLVYOCKZFJWJX-UHFFFAOYSA-N 326.331 1.640 0 40 EDAB COc1ccccc1CNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 89473717 RVBKAPYEFUFNQZ-UHFFFAOYSA-N 345.399 1.566 0 40 EDAB Cc1noc2nc(C(C)C)cc(C(=O)NCCCc3n[nH]c(=O)[nH]3)c12 75092712 HCSBGZHYPNYPLU-UHFFFAOYSA-N 344.375 1.429 0 40 EDAB C[C@@H](NS(=O)(=O)N(C)C)[C@@H](O)c1ccc(Br)cc1 89598504 LYPZQKWRJIBQCY-LDYMZIIASA-N 337.239 1.267 0 40 EDAB O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCN(CCO)CC1 75572147 CMCHDJHOEDIWEN-UHFFFAOYSA-N 348.834 1.335 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CC(=O)N(C)Cc3ccccc3)CCO2)n1 76047960 NRYFHSNBUVCRBI-HNNXBMFYSA-N 329.404 1.145 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408600783 CKVRETOTJMHCSD-CYBMUJFWSA-N 340.445 1.544 0 40 EDAB O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1csc(N2CCCCC2)n1 1548492325 CJSPTHXKKYGTGF-GFCCVEGCSA-N 348.472 1.874 0 40 EDAB CC(C)n1cc(CNC(=O)NC[C@@H]2Cc3ccccc32)c(O)nc1=O 1548453276 ZRIGEBQGGLGKPS-ZDUSSCGKSA-N 342.399 1.669 0 40 EDAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCCC2)c(Cl)c1 28208002 RFMUJMFXQMZUMJ-UHFFFAOYSA-N 346.836 1.592 0 40 EDAB CN(CC1CCCCC1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 24798426 OSLNLYZYNLKZFK-UHFFFAOYSA-N 344.415 1.285 0 40 EDAB CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cccc2ncccc12 121560579 ZXRUKVFNPMMHTM-CQSZACIVSA-N 336.438 1.795 0 40 EDAB C[C@]1(C(=O)N2CCOCC2)CN(Cc2cccc3[nH]ccc23)CCO1 72379929 FUQPJMKUSSBRQN-LJQANCHMSA-N 343.427 1.618 0 40 EDAB CN(C)CCNC(=O)c1cccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)c1 71288127 GNNGTPPZMZVYAT-UONOGXRCSA-N 347.415 1.273 0 40 EDAB CC(C)n1ccc(CNC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)n1 565374357 VLPPZXVVSXNSBX-LJQANCHMSA-N 340.427 1.928 0 40 EDAB Cc1ccc2[nH]c3nc(SCC(=O)N4CCOCC4)nnc3c2c1 35312191 UGEFLMFQLBNWNC-UHFFFAOYSA-N 343.412 1.765 0 40 EDAB CCC(=O)N1CCc2nc3cc(OC)c(OC)cc3c(=O)n2CC1 72340084 IXSHZOCHKHOITF-UHFFFAOYSA-N 331.372 1.208 0 40 EDAB Cc1ccccc1OCCN(C)C(=O)[C@H]1CCc2nnnn2CC1 568012186 LIYSZTGLUUBNNC-AWEZNQCLSA-N 329.404 1.471 0 40 EDAB Cc1cc(C)n(CCCNC(=O)[C@@H](C)n2cc3c(n2)c(C)nn3C)n1 41123790 HUYFXAWYHNEZIN-CQSZACIVSA-N 343.435 1.659 0 40 EDAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2cncs2)CC3)C1 72368407 QRWDNKYBUPBWRU-LBPRGKRZSA-N 346.460 1.242 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccn2)cc1C 226686011 HAEHSVMWVOPLRU-UHFFFAOYSA-N 335.385 1.316 0 40 EDAB O=C(O)c1ccc(N[C@H](CN2CCOCC2)c2ccccc2)nn1 570097791 LEJCZGDLYJTOJL-OAHLLOKOSA-N 328.372 1.660 0 40 EDAB Cn1cccc1C(=O)NC1CCN(C(=O)[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 195529900 IKCLSRTZVDXJTH-FMKPAKJESA-N 327.428 1.958 0 40 EDAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)COc2ccc3c(c2)OCO3)C1 223183547 UNHSPIQHPKXCMT-CYBMUJFWSA-N 348.399 1.557 0 40 EDAB Cc1ccc(CNC(=O)CN[C@H]2CCCN(c3cccnn3)C2)cc1 69894876 BCIBKRMQMXETRK-KRWDZBQOSA-N 339.443 1.660 0 40 EDAB CN(CC(N)=O)C(=O)c1ccn(-c2cccc(Br)c2)n1 69893760 MHMSNPIUKJXPRQ-UHFFFAOYSA-N 337.177 1.192 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[C@H](n2ccnc2C)C1 69899193 KGMFWTMFGILEAO-JSGCOSHPSA-N 327.450 1.568 0 40 EDAB c1ccc2c(N3CCN(c4nccn5cnnc45)CC3)cncc2c1 330033161 WQANGTVIDPHNFN-UHFFFAOYSA-N 331.383 1.999 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2cccs2)Cc2nccn2C1 96187869 RLLJZSSDVXJQJU-CQSZACIVSA-N 348.472 1.681 0 40 EDAB CCc1ccccc1NC(=O)C(=O)NC[C@H](c1cnn(C)c1)N(C)C 96410787 ZJNGDUSGIIEFHB-MRXNPFEDSA-N 343.431 1.340 0 40 EDAB c1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN2CCCC2)ccn1 96057936 QLARUQPLGDAGMO-IPMKNSEASA-N 331.460 1.926 0 40 EDAB COCC(=O)N1Cc2ccnn2C[C@H](COCc2ccccn2)C1 96189184 XWWBWFXWQNLCNZ-CQSZACIVSA-N 330.388 1.100 0 40 EDAB CC(C)n1ccc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)ccc21 95473652 LGLDPUFGHOJWPU-UHFFFAOYSA-N 349.456 1.940 0 40 EDAB CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(C1)CN(Cc1ccccc1)C2 514289249 KEDLPAINEUOVJI-RTBURBONSA-N 329.488 1.648 0 40 EDAB biogenic,in-vitro CCn1ccnc1[C@@H]1CCCCN1C(=O)[C@H]1CCCN(C(N)=O)C1 579910311 QUIYMVKNNLNMMR-KBPBESRZSA-N 333.436 1.747 0 40 EDAB CCc1nc(Cl)c(C)c(N2CCC(N(C)S(C)(=O)=O)CC2)n1 96449392 VJADWDQHMQQHII-UHFFFAOYSA-N 346.884 1.861 0 40 EDAB O=C(O)[C@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)CCO1 583650625 SRWKGZSXKOVYIC-CQSZACIVSA-N 332.356 1.129 0 40 EDAB COC[C@H]1CCC2(CCN(S(=O)(=O)N(C)C)CC2)N1CC1CC1 96209520 AZTWNVPAMXRDSB-OAHLLOKOSA-N 345.509 1.148 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1cc(-c2cccnc2)n[nH]1 96117465 PTJOQDNEXJRDNQ-UHFFFAOYSA-N 333.355 1.487 0 40 EDAB O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1 96042864 BSWLXPNQDBGZGR-CGTJXYLNSA-N 329.444 1.630 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(Cl)c1 96193154 NJRSEROGDCFDGM-UHFFFAOYSA-N 334.825 1.495 0 40 EDAB CCCS(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)Nc2ccccc2)C1 96253408 RFVHXJBXFSICDH-QLFBSQMISA-N 338.429 1.454 0 40 EDAB CC(C)[C@@H](C(=O)NC[C@@H]1CCCO1)n1nnc2ccccc2c1=O 95477454 GWKTVOXENTUHOR-WFASDCNBSA-N 330.388 1.284 0 40 EDAB CCOc1ccc(CN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cn1 91951890 UYJPYMKMNPNYKR-AWEZNQCLSA-N 347.415 1.378 0 40 EDAB Cc1nc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCC3)C2)cs1 96041147 OUPCSICHFWPDLT-HRCADAONSA-N 335.473 1.911 0 40 EDAB COC(=O)[C@H]1[C@H](CNc2ccccc2CS(C)(=O)=O)C1(F)F 585085428 NRTNCTJVEQZPFV-CMPLNLGQSA-N 333.356 1.697 0 40 EDAB Cc1cccc(CN2CCS(=O)(=NS(C)(=O)=O)CC2)c1C 585086114 AZMACHFIXSKUNC-UHFFFAOYSA-N 330.475 1.547 0 40 EDAB COCC1(NC(=O)c2ccc(N3CCN(C)CC3)c(F)c2)CCC1 585081573 PYBKNOPMTRKHTE-UHFFFAOYSA-N 335.423 1.876 0 40 EDAB C[C@H](NCc1ccc(S(N)(=O)=O)o1)[C@H](c1ccccc1)N(C)C 585117710 UHYJRTBWMUKVKF-BLLLJJGKSA-N 337.445 1.708 0 40 EDAB Cc1nc(C(C)C)oc1CNS(=O)(=O)c1c(C)nn(C)c1C 585115420 ZBZPXIVDLGFKJX-UHFFFAOYSA-N 326.422 1.935 0 40 EDAB CC1(CNS(=O)(=O)c2ccc(C(=O)O)cc2Cl)OCCO1 585122172 PJUGRLMWQQGQJT-UHFFFAOYSA-N 335.765 1.080 0 40 EDAB O=S(=O)(NC[C@@H]1CCCO1)C1(COCc2ccccc2)CC1 585135248 ZKKJLESSWPARNA-HNNXBMFYSA-N 325.430 1.834 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2cncn21 248086822 SREVQJIVPLRLEF-INIZCTEOSA-N 337.383 1.318 0 40 EDAB Cn1nccc1C(=O)N1CC2(C[C@@H](OCC3CCOCC3)CCO2)C1 248007234 CMTHUSCCGDRRIH-HNNXBMFYSA-N 349.431 1.237 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)on1 257269203 MPAAKBSMICNSAJ-INIZCTEOSA-N 330.388 1.966 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)N2CCN(C)CC2)[C@@H]1c1ccccc1F 257326163 WWBLJLDZKVDSJC-QAPCUYQASA-N 347.434 1.899 0 40 EDAB Cc1nccc([C@@H]2CCCN(C(=O)c3ccc(C)n(C)c3=O)C2)n1 257273341 NGDXQCLLKBCGSN-CQSZACIVSA-N 326.400 1.812 0 40 EDAB Cc1cc(C)n(CC(=O)N2[C@@H]3CN[C@@H]4CCCC[C@H]2[C@]4(C)C3)c(=O)n1 257239310 HOSXXQOKMCKMQW-CYJAXWMASA-N 344.459 1.382 0 40 EDAB CC1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CCN(CC(N)=O)C[C@H]3C[C@H]21 257214321 CLOVQWQOMGYTKW-FSUOKIBISA-N 346.427 1.817 0 40 EDAB CCCn1ccnc1CN1CCOC[C@H](Cc2cc(O)ncn2)C1 257283612 OYZZHWIXMHRFOO-CQSZACIVSA-N 331.420 1.480 0 40 EDAB O=C(c1cc(-c2ccccc2)on1)N1CC[C@H](N2C(=O)CNC2=O)C1 253473025 RBFKIYZTFIKTGD-LBPRGKRZSA-N 340.339 1.108 0 40 EDAB CCc1nccn1CC(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257224581 FCJWJGKETVDFSB-IIDMSEBBSA-N 329.400 1.533 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)/C=C/c2ccccc2)C1 257232556 GLJGJUNCMBRPDI-NPQIQWPPSA-N 345.424 1.843 0 40 EDAB Cc1cnc(NCC[C@H]2CCOC23CN(C2CCOCC2)C3)nc1 253600295 JLOAIPALPYLUKN-HNNXBMFYSA-N 332.448 1.857 0 40 EDAB Cc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCC2CCCCC2)n1 604382416 RNQLCDUUPDEFFL-NCXUSEDFSA-N 333.476 1.855 0 40 EDAB biogenic,in-vitro CC(C)CCC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccncc3)[C@H]2C1 575403396 HTTZKFPXZDIQKL-GVDBMIGSSA-N 345.443 1.721 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)Cc1ccc2c(c1)CCCO2 585287935 IOFIHMOXWXSFDG-SUMDDJOVSA-N 349.427 1.441 0 40 EDAB Cc1cc(C(=O)CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)s1 31610797 YBDLHGFYHRYHDF-LBPRGKRZSA-N 343.470 1.973 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCC(CN(C)C)CC3)cnc12 69696403 YBRPUSFCFCCXKL-UHFFFAOYSA-N 342.443 1.505 0 40 EDAB Cc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)c2c(C3CC3)noc2n1 71871383 UZBSFNRYZOSOHN-GFCCVEGCSA-N 344.415 1.547 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2CC(=O)NC2CCN(C3CC3)CC2)c1 72253322 CZVZPHQJWWPBMR-SFHVURJKSA-N 345.491 1.399 0 40 EDAB CC[C@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCS1 72303593 OFSNDIFNBLBBLS-LBPRGKRZSA-N 339.461 1.595 0 40 EDAB Cc1cc(N2CCN(c3ncc(Br)cn3)CC2)ncn1 1776009922 ZFXGZXYENAXHLZ-UHFFFAOYSA-N 335.209 1.664 0 40 EDAB C[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)N1CCC[C@@H](C)C1 40527730 KAJHBLPSPKIBQG-OLZOCXBDSA-N 339.461 1.184 0 40 EDAB CCc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCCOCC2)o1 78880357 DUWZKJHHUIJEMB-AWEZNQCLSA-N 328.434 1.946 0 40 EDAB O=C1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CN1C1CC1 75161567 SNFDSHYPEQKGHC-JTQLQIEISA-N 348.346 1.747 0 40 EDAB COC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 79066181 BWSXLGQKEQMSHV-IUCAKERBSA-N 347.293 1.857 0 40 EDAB CCCC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)NC(C)=O 5201886 GCTQAGGEBYNJJG-BZUAXINKSA-N 345.392 1.108 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 12187696 DKEUOWAIISJJNS-JTQLQIEISA-N 328.390 1.111 0 40 EDAB O=C1NCC2(CCN(C(=O)c3ccncc3)CC2)Oc2ccccc21 12225187 GVMVPSZXBGYXGR-UHFFFAOYSA-N 337.379 1.879 0 40 EDAB Nc1c(C(=O)NC[C@@H]2CCCO2)sc(=S)n1C[C@@H]1CCCO1 13547222 LVYCBQHQKPNMQR-UWVGGRQHSA-N 343.474 1.949 0 40 EDAB CC(=O)NC1(c2ccccc2)CCN(CC2(O)CCOCC2)CC1 607853311 QZCCCRJFLXGMCH-UHFFFAOYSA-N 332.444 1.655 0 40 EDAB O=C1CC[C@H](N2CCN(Cc3cccc4c3OCCO4)CC2)CCN1 575603201 PEKRLGZEGXTOLP-INIZCTEOSA-N 345.443 1.244 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1ccccc1 581406979 INZNKYXDNMZCON-CYBMUJFWSA-N 349.364 1.562 0 40 EDAB O=C(O)CC1(CC(=O)N2CCN(c3ncccn3)CC2)CCCC1 157222 CHTQVESQJSYFSC-UHFFFAOYSA-N 332.404 1.550 0 40 EDAB CCOC(=O)[C@H](C)NC(=O)COc1ccc(Br)cc1 3070485 SCLWZXFZGNADFC-VIFPVBQESA-N 330.178 1.896 0 40 EDAB O=C(CNC(=O)c1ccc(OC(F)F)cc1)NC[C@H]1CCCO1 6402177 WXMFBXCMCHCXLF-GFCCVEGCSA-N 328.315 1.313 0 40 EDAB CCN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1ccc(C)s1 24633177 KABBKDSSMAQWMF-UHFFFAOYSA-N 339.461 1.550 0 40 EDAB Cc1cc(S(=O)(=O)NCCN2CC=CC2)ccc1Br 101416440 NYFGXKRWPPZATC-UHFFFAOYSA-N 345.262 1.908 0 40 EDAB O[C@@H]1CCCC[C@H]1N1CCN(c2ccc(-n3cccn3)nn2)CC1 2087122238 ZMCOKDPXAYYBFC-HUUCEWRRSA-N 328.420 1.088 0 40 EDAB O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NC1CC1 424882 ZRNYPIMSVRTUFP-GFCCVEGCSA-N 328.397 1.413 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)o2)cc1 10971377 DLSJIUJJRIMIAD-NSHDSACASA-N 337.357 1.577 0 40 EDAB COCC(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)cc(=O)[nH]1 12006192 WLUYPYDCYHVRJU-UHFFFAOYSA-N 329.316 1.109 0 40 EDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)CC2CC2)CC1 2055747080 DPSRQBQSGUVIBE-UHFFFAOYSA-N 333.436 1.082 0 40 EDAB Cc1ccccc1NC(=O)N1CCC(N2C(=O)COCC2=O)CC1 1775967240 JSTPDWXYYMNUND-UHFFFAOYSA-N 331.372 1.377 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1C 11566062 VSWHTFAJVVDXKT-UHFFFAOYSA-N 327.402 1.797 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)N2CCN(CCc3ccccc3)CC2)c1C 32911732 HDZLXWNPFNJWMU-UHFFFAOYSA-N 340.427 1.387 0 40 EDAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100474685 LZMUKDFGKJKUTL-TUVASFSCSA-N 342.395 1.461 0 40 EDAB C[C@@H]1CN(C(=O)COC(=O)CCc2c[nH]c3ccccc23)CCO1 10498650 HXGMURXRKAHYGP-CYBMUJFWSA-N 330.384 1.891 0 40 EDAB NC(=O)[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 40490291 QDCOJTABRCQVBB-MRXNPFEDSA-N 345.424 1.865 0 40 EDAB CC(=O)N[C@H](CC(C)C)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100745417 GZYUXKVCNFJXRU-HRCADAONSA-N 345.443 1.345 0 40 EDAB Cc1ccc(C)c(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c1 31710756 MXXBIFUYDHKPFX-UHFFFAOYSA-N 348.424 1.598 0 40 EDAB Cn1c(=O)c2c(nc(Cl)n2Cc2cccc(Cl)c2)n(C)c1=O 128221 LBPZSHCGUIOIDM-UHFFFAOYSA-N 339.182 1.789 0 40 EDAB biogenic CCNC(=O)CN(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 40554191 OZSQLSFGXKPTJC-UHFFFAOYSA-N 326.400 1.569 0 40 EDAB CCCn1nc(C(=O)NC[C@@H](C)N(C)c2ccccc2)ccc1=O 40534614 LXWJPRXGYZHLRX-CQSZACIVSA-N 328.416 1.908 0 40 EDAB Cc1ccccc1-n1c2c(c(=O)[nH]c1=O)CN(C1CCCC1)CN2 20567600 DVTSXGFBLOIIIG-UHFFFAOYSA-N 326.400 1.962 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1cccc(N2CCCC2=O)c1 32444071 QPDOMBMSLPUMNN-UHFFFAOYSA-N 349.412 1.897 0 40 EDAB Cc1cc(F)ccc1NC(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 32915778 UYUFKRNCTOUXQJ-UHFFFAOYSA-N 328.303 1.554 0 40 EDAB C1CC1c1nc(CN2CCN(Cc3noc(C4CC4)n3)CC2)no1 53602376 PJHYJWOPRROCMO-UHFFFAOYSA-N 330.392 1.525 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CN2CCN(Cc3ccccc3)CC2)C1=O 22934155 BTEZEFNQXQNINS-LJQANCHMSA-N 342.443 1.482 0 40 EDAB Nc1nnc(SCc2ccc(C(=O)N3CCOCC3)cc2)s1 115818 ZVEQYLRZGVCBKJ-UHFFFAOYSA-N 336.442 1.885 0 40 EDAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(-n2cnnn2)ccc1Cl 12322673 YUFSLFGKLMGOFT-UHFFFAOYSA-N 339.746 1.866 0 40 EDAB COc1ccc(CCNC(=O)CN2CC[C@@H](C)[C@H]2CO)cc1OC 97104499 OLFJVEGDCYEGDE-UKRRQHHQSA-N 336.432 1.065 0 40 EDAB O=C(O)c1sccc1S(=O)(=O)N(C[C@H]1CCOC1)C1CC1 37503117 CZFZENYXROQFOS-SECBINFHSA-N 331.415 1.636 0 40 EDAB C[C@H](OC(=O)CCN1C(=O)CCC1=O)C(=O)Nc1ccccc1F 25124941 ZKYAHJBVXYHBIT-JTQLQIEISA-N 336.319 1.235 0 40 EDAB CN(CC(=O)N1CCC[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 106822045 WFTVJLJWYSFRRG-JKSUJKDBSA-N 336.457 1.469 0 40 EDAB C[C@H](CNC(=O)Nc1ccn(-c2ccccc2)n1)N1CCOCC1 43621382 MXMDIIDTQZFSDB-CQSZACIVSA-N 329.404 1.715 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)NCc2cccnc2)C1=O 8720778 YLQRMUHITKZWSV-CYBMUJFWSA-N 325.368 1.902 0 40 EDAB COc1ccc(S(=O)(=O)c2cnc(N3CCCCC3)nc2N)cc1 1560860 WQSRRTMDDHKHLB-UHFFFAOYSA-N 348.428 1.891 0 40 EDAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 57420071 QHGVYFGAPPADHT-VXGBXAGGSA-N 347.440 1.984 0 40 EDAB COCC[C@H](Nc1nc(-c2cccnc2)nc2c1CCC2)C(N)=O 95463021 VKQYNXHZAWHPGY-AWEZNQCLSA-N 327.388 1.330 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)nc2c1c(C)nn2C 58048063 SKXMBNXFORYXFW-CABZTGNLSA-N 331.420 1.618 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCN(c2ccncc2)CC1)c1ccco1 44893411 RSRHSVDSPHRVTC-INIZCTEOSA-N 343.431 1.809 0 40 EDAB Cc1ccccc1S(=O)(=O)N1CC[C@]2(C[C@@H](n3ccnc3)CO2)C1 107226680 IALOJYFQXSJLHM-WBVHZDCISA-N 347.440 1.986 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CCc2ccccn2)c1 58225005 VIXYLOFYUXVBTE-UHFFFAOYSA-N 335.429 1.517 0 40 EDAB O=C(NCc1cccnc1-n1cccn1)c1ccnc(-n2ccnc2)c1 48268162 IDJGYKBYDCXUNS-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB C[C@@H]1CN(CCNC(=O)[C@@H](c2ccccc2)n2cccn2)C[C@@H](C)O1 58202196 CGOQBBYPILPGOP-JFIYKMOQSA-N 342.443 1.698 0 40 EDAB C[C@](NS(=O)(=O)c1cc(F)ccc1F)(C(N)=O)c1ccccc1 58283008 ZFAXXAPHQYRHAM-OAHLLOKOSA-N 340.351 1.644 0 40 EDAB COc1ccccc1CNC(=O)Cn1c(-c2ccccc2)noc1=O 58293139 HBWGWDYRRHRKOA-UHFFFAOYSA-N 339.351 1.828 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@H](C)CN2CCOCC2)c(C)c1 44937528 ASYABYIXZFUDAH-CQSZACIVSA-N 342.461 1.311 0 40 EDAB CN(C)c1nc(N)nc(CN2CCO[C@@H](c3ccc(F)cc3)C2)n1 44914112 IJWHZGOMPSNOOG-CYBMUJFWSA-N 332.383 1.232 0 40 EDAB O=C(CCC(F)(F)F)NC1CCN(S(=O)(=O)C2CC2)CC1 84838795 SBAARKYMEFVETO-UHFFFAOYSA-N 328.356 1.402 0 40 EDAB CCOCC(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1 58300638 JNDSJDACCRUPNH-LBPRGKRZSA-N 330.178 1.816 0 40 EDAB CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)c1ccc(NC(C)=O)cc1 10746948 VRNCWXNKSOARGQ-PBQZMEPESA-N 333.340 1.879 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](c2ccccc2)N2CCSCC2)CC1 58780684 YPNPARIXUJAIKA-QGZVFWFLSA-N 347.484 1.467 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCCc2ccc(Br)s2)C1 45394067 KJMKWQRKCDZUSC-QMMMGPOBSA-N 346.250 1.570 0 40 EDAB Cc1oc(C)c(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)c1C 28690795 MENFTKMHFSHSSZ-UHFFFAOYSA-N 336.413 1.923 0 40 EDAB CC(C)N1CCN(C(=O)CCn2cnc3sccc3c2=O)CC1 45430001 XNUYBWCOBBDYHU-UHFFFAOYSA-N 334.445 1.401 0 40 EDAB COCCNc1cnn(-c2ccccc2C(=O)OC)c(=O)c1Cl 29218770 WBGDGJYWHHTMRG-UHFFFAOYSA-N 337.763 1.731 0 40 EDAB CNC(=O)NC(=O)CSc1nnc(NCc2ccccc2)s1 3515311 LLCBTRWSFIWOGX-UHFFFAOYSA-N 337.430 1.698 0 40 EDAB CCOc1cc(C)c(S(=O)(=O)N2CCN(CCO)CC2)cc1C 12998511 YGOKHIZNUQNGIY-UHFFFAOYSA-N 342.461 1.001 0 40 EDAB COc1cc(C(=O)NCc2nnc3n2CCC3)ccc1OC(C)C 12997190 PLSXUZFKSMCVJF-UHFFFAOYSA-N 330.388 1.950 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)n2)cc1 75163376 CUCQVHSUQPRAGS-UHFFFAOYSA-N 343.368 1.318 0 40 EDAB CC[C@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)c1noc(C)n1 72309367 QGWYLLCVPYEDQX-ZDUSSCGKSA-N 349.366 1.584 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1O 49447725 VGROREPSZFCWFG-MRVPVSSYSA-N 348.218 1.319 0 40 EDAB O=C1N[C@H](Cc2ccccc2)C(=O)N[C@H]1Cc1c[nH]c2ccccc12 6096559 CUVKAUWOMPJEMI-MSOLQXFVSA-N 333.391 1.936 0 40 EDAB biogenic,in-vitro COc1ccc2c(c1)cc(C(=O)NCC(=O)Nc1ccccn1)n2C 13733431 QMISQVSPXXQCAX-UHFFFAOYSA-N 338.367 1.950 0 40 EDAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)NC(C)C)c(=O)n12 65196700 PXCYTODHEUWYEQ-UHFFFAOYSA-N 325.372 1.391 0 40 EDAB CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCOc1ccccc1 4317942 IDGFSDJBJOYHES-UHFFFAOYSA-N 343.387 1.324 0 40 EDAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(N2CCNC2=O)c1 65552604 HYVDNQMBLAKRRT-LBPRGKRZSA-N 345.403 1.349 0 40 EDAB C[C@@H](NC(=O)NCCCOCc1ccco1)C(=O)NCc1ccco1 65592839 QRTWZZJIUBQSIX-CYBMUJFWSA-N 349.387 1.783 0 40 EDAB CC1CCN(c2nnc(SCCO)n2C[C@H]2CCCO2)CC1 65622258 PBOYPBRRTUWKBG-CYBMUJFWSA-N 326.466 1.778 0 40 EDAB COC(=O)N1CCC[C@H](C(=O)NCCc2nc3ccc(F)cc3[nH]2)C1 72306675 CRCJLPPMFUHGAS-NSHDSACASA-N 348.378 1.839 0 40 EDAB Nc1cc(N)nc(SCC(=O)Nc2ccc(F)c(F)c2F)n1 6533379 UAYPVRFUFZAYCG-UHFFFAOYSA-N 329.307 1.789 0 40 EDAB COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O 9497598 JURBSFHUXCHOIC-UHFFFAOYSA-N 347.762 1.431 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)Cn1cnc2cnccc2c1=O 97237161 GJQOWTPBJQLQLA-AWEZNQCLSA-N 325.368 1.848 0 40 EDAB Cc1ccc(NC(=O)CCNC(=O)c2nccnc2N)c(Cl)c1 67174905 BLNTUKSBIOVPHP-UHFFFAOYSA-N 333.779 1.779 0 40 EDAB CC(C)CNC(=O)CNC(=O)NC[C@@H](O)c1ccc2ccccc2c1 67478104 CFERULFGIZTSAA-QGZVFWFLSA-N 343.427 1.945 0 40 EDAB NC(=O)NCc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 9544504 NCMRPRUXEXRQMV-AWEZNQCLSA-N 341.367 1.425 0 40 EDAB COC(=O)c1cc(OC(=O)c2ccc(=O)[nH]c2)cc(C(=O)OC)c1 16043440 HGFKLGHBRZPLJQ-UHFFFAOYSA-N 331.280 1.167 0 40 EDAB COc1ccccc1CN1Cc2ncnn2C[C@@H](C(=O)NC(C)C)C1 306142220 WTRNYLUYYPTSGL-HNNXBMFYSA-N 343.431 1.443 0 40 EDAB CCCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2ccc(OC)cc2)CC1 69020934 WXRGMEGLLYAPRA-OAHLLOKOSA-N 347.459 1.297 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)c2c(=O)[nH]n(C)c2n1 70004161 PELVZGRTKYJLKL-LBPRGKRZSA-N 340.387 1.071 0 40 EDAB CCC(=O)NCC(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 69485106 KANIEVUJXVEIBU-GFCCVEGCSA-N 339.823 1.570 0 40 EDAB C[C@@H](NC(=O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1)C1CC1 69527541 MHFOILZVQQKEDT-CJNGLKHVSA-N 336.457 1.373 0 40 EDAB CCC[C@H](Sc1nnc(N2CCOCC2)n1C)C(=O)OCC 71921930 SOUZESHYGODYBI-NSHDSACASA-N 328.438 1.476 0 40 EDAB CC(C)CN(CC(N)=O)S(=O)(=O)Cc1cccc2cccnc12 69777711 FODSPSJRCXKICN-UHFFFAOYSA-N 335.429 1.508 0 40 EDAB c1nc2n(n1)C[C@H](NCc1nc(-c3ccc4c(c3)OCO4)no1)CC2 69870961 ZGNBPZGTORKGDK-LLVKDONJSA-N 340.343 1.161 0 40 EDAB Cc1nc2cc(F)cc(C(=O)N3CCN(C[C@@H](C)O)CC3)c2nc1C 69978908 WOHCTFJZRXKJMI-LLVKDONJSA-N 346.406 1.524 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)NCC(=O)Nc1cccnc1 69978252 SPYNDNNMHLTGPQ-UKRRQHHQSA-N 334.420 1.915 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)N2CCN(C[C@H](C)O)CC2)c1C 69980701 WSOHJCGVTDDWBQ-HNNXBMFYSA-N 342.443 1.628 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 69951191 LDLCFCRMEJUENJ-SFHVURJKSA-N 346.471 1.715 0 40 EDAB COc1ccc(-c2ccc(CNC(=O)Cn3cnnn3)s2)cc1 83952280 MQTGAFWBQMGCOW-UHFFFAOYSA-N 329.385 1.727 0 40 EDAB Cc1nnc(CNc2cccc(S(=O)(=O)N3CCCCC3)c2)n1C 97033226 KRTLQUKTPHFHEP-UHFFFAOYSA-N 349.460 1.910 0 40 EDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282745 YXZUTHLNKDENQG-LLVKDONJSA-N 341.371 1.578 0 40 EDAB Cc1nc(C2CCN(CC(=O)NC(=O)NC3CCCCC3)CC2)n[nH]1 72232567 GEBYMECOQXGIQE-UHFFFAOYSA-N 348.451 1.451 0 40 EDAB O=C(NCCCN1C(=O)CCC1=O)Nc1cccc2cccnc12 72268140 MZVMOCWDDYFYMV-UHFFFAOYSA-N 326.356 1.895 0 40 EDAB O=C(NS(=O)(=O)N1CCCCC1)c1ccc(Br)o1 72275865 IYPZGEUREYJMKQ-UHFFFAOYSA-N 337.195 1.503 0 40 EDAB CCc1noc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)n1 95984625 NJZFZCLHRKCZSA-QWRGUYRKSA-N 338.433 1.952 0 40 EDAB C[C@@H]1OCC[C@H]1C(=O)NCC(=O)Nc1ccccc1Br 95983246 MXPJDIUGVWQPRT-VHSXEESVSA-N 341.205 1.929 0 40 EDAB Cc1cc(C)c(CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)c(=O)[nH]1 75125230 NSROLMWQKUWXRT-UHFFFAOYSA-N 339.351 1.870 0 40 EDAB Cc1nc2ccccc2n1CCNC(=O)CN(C)[C@@H]1CCSC1 89729982 DXMCNHIJGNTJNQ-CQSZACIVSA-N 332.473 1.898 0 40 EDAB Cc1csc([C@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C2CC2)n1 89705370 VYZWHPCUQIHFFQ-BXUZGUMPSA-N 334.445 1.965 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1ccncc1 306135763 PABGPXYPJWPLKM-BMFZPTHFSA-N 343.427 1.475 0 40 EDAB O=C(CCNC(=O)c1cc(-c2cccnc2)on1)Nc1ccncc1 89794095 FPXYJEKSVGUOBT-UHFFFAOYSA-N 337.339 1.890 0 40 EDAB O=C(N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1)C1(O)CCCC1 89834968 YASUXYSSZRLJLD-IRXDYDNUSA-N 330.428 1.403 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)CN(C)S(C)(=O)=O)C12CCCCC2 76042201 SQJSHRHGDQHHHT-STQMWFEESA-N 332.466 1.122 0 40 EDAB C[C@H]1CN(C(=O)Cc2cn3ccsc3n2)C[C@H]1N1CCOCC1 76054477 CMQCFTSAKKNXPB-GXTWGEPZSA-N 334.445 1.117 0 40 EDAB Cc1cc(OCC(=O)NCCCN2CCOCC2)ccc1Cl 22688158 YUIPWUAQBQFADV-UHFFFAOYSA-N 326.824 1.866 0 40 EDAB Cn1ccc(C(=O)N2CC[C@@]3(CCn4c(-c5cccnc5)cnc43)C2)n1 306136162 PLDFZDJESGIDKI-LJQANCHMSA-N 348.410 1.866 0 40 EDAB CCc1nc(COC(=O)c2cccc(S(=O)(=O)NC)c2)cs1 22742226 QDTSHYLIOIDHEC-UHFFFAOYSA-N 340.426 1.971 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 408600779 CKTILTFIEOSAMX-GFCCVEGCSA-N 328.434 1.446 0 40 EDAB CS(=O)(=O)N1C[C@@]2(CCN(Cc3cccnc3)C2)c2ncccc21 306130378 JELFUQJSBFWMMC-KRWDZBQOSA-N 344.440 1.400 0 40 EDAB COc1cnc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)s1 550078044 ORFWQJSDGYQNMU-UHFFFAOYSA-N 338.389 1.345 0 40 EDAB O=C(C1CCC1)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O 306126484 DXIWMIPVCFJDQU-AWEZNQCLSA-N 327.446 1.229 0 40 EDAB Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1cnc(N(C)C)nc1 533550573 OFFFXXNDPQLGJA-UHFFFAOYSA-N 342.402 1.412 0 40 EDAB CC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1cccnc1)CC2 70638393 MQZFMUCPWMBNCE-UHFFFAOYSA-N 331.401 1.493 0 40 EDAB Cn1cc(N2CC[C@@H](N3CCO[C@H](Cc4ccccc4)C3)C2=O)cn1 181524635 RDBZLZGZGODBMX-QZTJIDSGSA-N 340.427 1.469 0 40 EDAB NC[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218036436 TVYBASPXJYIUKE-ZOBUZTSGSA-N 331.393 1.656 0 40 EDAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)COC 217529402 KIYIMOGBROJIAI-GHMZBOCLSA-N 344.433 1.908 0 40 EDAB CCN(C(=O)c1cnn(C(C)(C)C)c1)[C@@H](C)CS(=O)(=O)CC 79052281 DIHUWAWELMMDAS-LBPRGKRZSA-N 329.466 1.923 0 40 EDAB CC(C)Nc1cnc(N(C)C)nc1[C@@H]1CCCN1S(C)(=O)=O 72366249 YMRLBIPNOBBEQU-LBPRGKRZSA-N 327.454 1.459 0 40 EDAB COc1ccc(Cn2cc(C(=O)NCCN3CCCCC3)nn2)cc1 72341637 WZSUOUWBUNPXHU-UHFFFAOYSA-N 343.431 1.551 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCCN(Cc2cscn2)CC1 69773605 CDKVLRXFGNPSOJ-UHFFFAOYSA-N 347.488 1.770 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 83613222 JQWJCPGCFGVNIH-OLZOCXBDSA-N 330.837 1.642 0 40 EDAB COc1ccc(-n2ccnc2S(=O)(=O)CCn2cccn2)cc1 195143321 XEYFJXDYCMWWJQ-UHFFFAOYSA-N 332.385 1.551 0 40 EDAB COC(=O)c1cc(S(=O)(=O)NCCCN(C)C)ccc1Cl 224359265 SHZNGLGNIDZUGF-UHFFFAOYSA-N 334.825 1.357 0 40 EDAB Cc1cccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)c1 224224387 LPLLWFAMTMLXOT-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB O=S(=O)(C1CC1)N1Cc2ccnn2C[C@H](COCC2CC2)C1 96189129 NDMOOVJNZDIJSS-CYBMUJFWSA-N 325.434 1.234 0 40 EDAB CC(C)(O)[C@H]1CCCN1C(=O)NCc1ccnc(-n2cccn2)c1 97375521 AKLHCENOOAXQKZ-CQSZACIVSA-N 329.404 1.712 0 40 EDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1cccnc1 96060567 HWUFPFDGCAUNNE-HNNXBMFYSA-N 327.388 1.469 0 40 EDAB COc1cc(N2CC[C@@]3(CCCN(Cc4cnn(C)c4)C3)C2)ncn1 96217256 BDXYSNZZYQXOKF-GOSISDBHSA-N 342.447 1.711 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)n1)Nc1ccc(F)cc1F 96121127 GBOGEZFDRMLFHK-UHFFFAOYSA-N 349.341 1.913 0 40 EDAB O=C(c1cccnc1)N1CCC2(CC[C@H](C(=O)N3CCCC3)O2)CC1 96061250 FWTZUDVZOKYFCB-MRXNPFEDSA-N 343.427 1.858 0 40 EDAB Cn1cc(CN2CCOC[C@]3(CCN(C4CCOCC4)C3)C2)cn1 96202035 MBTWTMYQSJMESG-GOSISDBHSA-N 334.464 1.123 0 40 EDAB CC(C)CN1C(=O)[C@@]2(C[C@@H]2C(=O)N2CCN(C)CC2)c2ccccc21 96243466 QCTUDPKUGWHRJR-UZLBHIALSA-N 341.455 1.721 0 40 EDAB C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CCN1Cc1ccncc1 96201308 BGTLUFYHDGSOCE-CYBMUJFWSA-N 325.416 1.881 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 96159127 OYALXPUNTKSFSN-OAHLLOKOSA-N 344.411 1.448 0 40 EDAB COC(=O)c1n[nH]c2ccc(NS(=O)(=O)C[C@H](C)OC)cc12 330031754 CRRZUCAVCQAQPF-QMMMGPOBSA-N 327.362 1.126 0 40 EDAB COC[C@@H]1COCCC12CCN(S(=O)(=O)c1cccnc1)CC2 96106310 LHQLQTIYLTUTLL-CQSZACIVSA-N 340.445 1.535 0 40 EDAB Cc1occc1C(=O)N1C[C@@H](C(=O)NCC2CC2)C2(CCOCC2)C1 96078627 SNBBQNBYBFYDTR-INIZCTEOSA-N 346.427 1.983 0 40 EDAB C[C@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)Cn1cccn1 97096556 BPZRLJRXJRGKBK-MRXNPFEDSA-N 342.447 1.442 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(CCN(Cc3ccccn3)C2=O)C1 96159477 KLSLXLAAFRWMLS-GOSISDBHSA-N 325.416 1.440 0 40 EDAB CC(=O)N1CCC2(CCCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)CC1 96268225 YJIQYYDMGRFIRJ-INIZCTEOSA-N 335.448 1.248 0 40 EDAB CCCS(=O)(=O)CC(=O)NC1CCN(c2cccc(F)c2)CC1 96413870 QWRYXZNARCOHGZ-UHFFFAOYSA-N 342.436 1.736 0 40 EDAB Cc1cc(C)cc(CCC(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)c1 583617821 VHDDEBXPJKCRNF-GOSISDBHSA-N 328.416 1.864 0 40 EDAB O=C(NC[C@H](CO)Cc1ccccn1)[C@H]1CCOc2ccccc21 96454734 OOIPFHBWYMUNNE-PBHICJAKSA-N 326.396 1.915 0 40 EDAB O=C([C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1)N1CCCO1 96111141 ABIRLWWJYUSUOM-INIZCTEOSA-N 331.416 1.759 0 40 EDAB Cc1cccc(CN2CC[C@]3(CCN(C(=O)CN(C)C)C3)C2=O)c1 96159637 OMTNVPJOIAFKSJ-LJQANCHMSA-N 329.444 1.508 0 40 EDAB CC[C@@H](CO)Nc1ncc(Br)c(N[C@@H](CC)CO)n1 584907826 ADLZDMPFIMXMGR-IUCAKERBSA-N 333.230 1.605 0 40 EDAB O=C(c1ccccn1)N1CC2(C[C@@H](OCC3CCOCC3)CCO2)C1 247875885 NWNWSSHQMLKONY-INIZCTEOSA-N 346.427 1.898 0 40 EDAB C[C@@](O)(CCc1ccccc1)C(=O)Nc1ccc2c(c1)B(O)OCC2 584918875 DMVASQYIDBZRIY-LJQANCHMSA-N 339.200 1.269 0 40 EDAB CCOCC(=O)N1Cc2cncn2[C@H](COCc2ccncc2)C1 248289887 KGDRCEVLVFSQAS-INIZCTEOSA-N 330.388 1.415 0 40 EDAB CCCCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 243265653 KVQSCEDFMIAQIS-UHFFFAOYSA-N 349.250 1.644 0 40 EDAB O=C(c1occ2c1CCC2)N1CCC[C@H](N2CCCS2(=O)=O)C1 585082004 OTGRXAMKFIAAHT-ZDUSSCGKSA-N 338.429 1.408 0 40 EDAB COC(=O)c1[nH]c(CN2CCN(C)[C@H](c3nc(C)no3)C2)cc1C 585116787 ILZGIVZYMHRWBX-ZDUSSCGKSA-N 333.392 1.290 0 40 EDAB Cc1noc(C)c1C[C@H](C)NS(=O)(=O)CCO[C@H]1CC1(F)F 585115556 GRTPDDWNWGDTHL-UFBFGSQYSA-N 338.376 1.566 0 40 EDAB Cc1nc2sccc2c(=O)n1CCNC(=O)c1ccc(O)nc1 253537732 SMWUQUSOZIVWGJ-UHFFFAOYSA-N 330.369 1.297 0 40 EDAB Cc1csc(C(=O)NC[C@@]2(O)CCCN(c3cc(C)ncn3)C2)c1 257252106 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1.416 0 40 EDAB C[C@]1(O)CN(C(=O)c2ccncn2)CC[C@@H]1Oc1cccc(F)c1 257309889 UCUYIAGZGVUBGA-RDJZCZTQSA-N 331.347 1.660 0 40 EDAB CO[C@H](C)CS(=O)(=O)Nc1ccc(-n2ccc(O)n2)c(F)c1 1615553254 VWKCMMGPQTVDBO-SECBINFHSA-N 329.353 1.494 0 40 EDAB COC(=O)c1sccc1CS(=O)(=O)N1CCOCC1(C)C 1615585634 JYFBIKAXPYDFEB-UHFFFAOYSA-N 333.431 1.475 0 40 EDAB Cn1cnc2c1CCN(C(=O)c1coc(C3CC3)n1)C21CCOCC1 1615589134 IQZRTLBHPUNPIE-UHFFFAOYSA-N 342.399 1.990 0 40 EDAB CN(CCCO)S(=O)(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 1615586033 PDZBBFWNWQFTMQ-STQMWFEESA-N 348.262 1.949 0 40 EDAB CO[C@@H]1C[C@H](COc2cccnc2)N(C(=O)[C@@H](C)n2cccn2)C1 1615615698 TWEXKJOYFIIYNZ-IIAWOOMASA-N 330.388 1.534 0 40 EDAB COC(=O)C[C@@H](C)S(=O)(=O)N[C@H](Cc1ccccc1)C1CC1 1615612847 CCCXHTLJMIZWQT-IUODEOHRSA-N 325.430 1.879 0 40 EDAB Cc1ccccc1C(=O)N[C@@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)C(C)C 651108931 HXOYYKHAOGPWCT-CGTJXYLNSA-N 343.471 1.912 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)CC3CC3)C[C@H]12)c1cccnc1 575404333 NBLNJGXZSQUENF-ARFHVFGLSA-N 329.400 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ISNAZXQRXFYYDQ-LBPRGKRZSA-N 343.401 1.126 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)[C@@H]1CCCN(C)C1 96009932 BTOGNSIZYAJRBD-OAHLLOKOSA-N 342.509 1.871 0 40 EDAB Cc1noc(CCNC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)n1 64345709 KTFRIDUGJONNEX-TXEJJXNPSA-N 345.403 1.359 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)NC[C@H](c1ccco1)N(C)C 65449569 WXBWLWRXLCXPCF-GFCCVEGCSA-N 332.408 1.262 0 40 EDAB CCOc1cc2c(cc1CNC(=O)NCCCNC(C)=O)O[C@H](C)C2 65449540 QIDICXFDAJTYOL-GFCCVEGCSA-N 349.431 1.734 0 40 EDAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NC(C)C 4487090 CJUQZMNJKOAXIU-UHFFFAOYSA-N 340.445 1.683 0 40 EDAB COc1ccc(OC)c(CC(=O)NCc2c(C)cc(C)[nH]c2=O)c1 65530521 WELDPRNEMNGFKF-UHFFFAOYSA-N 330.384 1.868 0 40 EDAB O=C(c1occc1CN1CCOCC1)N1CCC[C@@H](n2cccn2)C1 65608541 ZWINAFBQWQWNJS-MRXNPFEDSA-N 344.415 1.786 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2)c1 5886700 ZPGKVLYUNMMUNO-UHFFFAOYSA-N 334.353 1.130 0 40 EDAB COCCC(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 96495909 IOJYSCSAPOGIRZ-LBPRGKRZSA-N 329.194 1.470 0 40 EDAB C/C(NC[C@H]1CCCO1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 5901344 IBNZVIGLVYTGNB-MBFWDRTGSA-N 329.356 1.312 0 40 EDAB C[C@H](NC(=O)CN[C@H](C)c1ccc(F)c(Cl)c1)C(=O)N(C)C 95984570 JESDOIAXXJSPKF-ZJUUUORDSA-N 329.803 1.723 0 40 EDAB C[C@@H](CNC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)CN1CCOCC1 74371861 TXEOJLGXDGAEGB-XYTVBORESA-N 338.496 1.269 0 40 EDAB CC[C@H](CNC(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1)c1ccccc1 71864285 VCWLLFSDIIVTSD-KZNAEPCWSA-N 347.503 1.683 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 16046812 BWQYZYRMFKXNMM-LBPRGKRZSA-N 348.428 1.621 0 40 EDAB C[C@H]1CN(C(=O)Cn2nnc(COc3ccccc3)n2)CC(C)(C)O1 71831144 DAZMFJBYXAMBFC-ZDUSSCGKSA-N 345.403 1.278 0 40 EDAB CCO[C@@H]1CCCN(C(=O)Cn2nc(O)c3ccccc3c2=O)C1 71825545 UWMDDSYMVOENJM-GFCCVEGCSA-N 331.372 1.130 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CC1 71841361 QLLLICHBYFAPQR-CVEARBPZSA-N 343.431 1.473 0 40 EDAB COc1cccc(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)c1 7883105 RMIWFVZPZQQAJP-ZDUSSCGKSA-N 349.412 1.354 0 40 EDAB COC[C@H](C)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 71921595 OKYXLWXLSBINQT-NSHDSACASA-N 334.388 1.306 0 40 EDAB CCn1ccnc1CN1CCN(Cc2nnc(C3CC3)n2C)CC1 69453588 YFMPNSCRBXGTKK-UHFFFAOYSA-N 329.452 1.227 0 40 EDAB COc1cccc(S(=O)(=O)CCN2CCC[C@@H](NC(C)=O)C2)c1 69419109 GVKZVTSIZDOBBC-CQSZACIVSA-N 340.445 1.069 0 40 EDAB CC(C)Sc1ccc([C@@H](C)NC(=O)CNS(C)(=O)=O)cc1 69569072 PEVSHOIANPSZRN-LLVKDONJSA-N 330.475 1.914 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2c(F)cccc2F)C1 69531031 CSDPHDINGWRPLA-SNVBAGLBSA-N 332.372 1.366 0 40 EDAB CNC(=O)c1cccc(CNS(=O)(=O)c2ccc(F)c(C)c2)c1 69809930 DPYVQRVUOIPLCE-UHFFFAOYSA-N 336.388 1.972 0 40 EDAB C[C@H](SCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1F 69813281 HGHMKXOPDDMDMF-WDEREUQCSA-N 331.434 1.923 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cccc(S(=O)(=O)N(C)C)c1 69813843 RGFKVXWDNPKXEV-GXTWGEPZSA-N 339.461 1.023 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc1 69899111 BSVPHKGGUVNCBK-SIEMXDPISA-N 346.427 1.712 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1OCCc2ccccc21 72285404 ALAJWSMLSDCZDU-ROUUACIJSA-N 338.407 1.903 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@H](C3CC3)N3CCCC3)CC2)nc(C)n1 97135173 SQSTWTRDBOWYSQ-SFHVURJKSA-N 343.475 1.616 0 40 EDAB CN(C)c1ncnc2c1CN(Cc1cccc3c1OCCO3)CC2 97201920 CVUWMXHVJDIAAV-UHFFFAOYSA-N 326.400 1.872 0 40 EDAB Cc1ccc(OCC(=O)NCCCN2C(=O)NC(C)(C)C2=O)cc1C 75138876 WMEANRSXTHUAFH-UHFFFAOYSA-N 347.415 1.519 0 40 EDAB Cc1ccc(C[S@](=O)CC(=O)N2CCC[C@H](C(N)=O)C2)cc1C 89643204 YBTNXUPQNHTUEX-NPMXOYFQSA-N 336.457 1.276 0 40 EDAB COC[C@](C)(O)CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1 75249161 BCIGQBLCSILIBJ-OAHLLOKOSA-N 325.748 1.574 0 40 EDAB COCc1cc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)ccc1F 76053996 LAFYRAFLSDDWIZ-CXAGYDPISA-N 336.407 1.765 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)c2cnn3ccc(C)nc23)no1 76044019 CQBACEPLLYVGNB-GFCCVEGCSA-N 326.360 1.960 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 20457509 MDIUJVWYHOVNBS-NSHDSACASA-N 345.852 1.797 0 40 EDAB C[C@](O)(CCc1ccccc1)CNC(=O)C(=O)NCc1cccs1 61976040 QQYDYWFFKUMMGA-SFHVURJKSA-N 346.452 1.864 0 40 EDAB COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCNCC2)C1 306144845 ZQDZLTVTKYPMQH-UHFFFAOYSA-N 345.378 1.745 0 40 EDAB Cc1nccn1C[C@H](C)CNC(=O)c1cc(N2CCOCC2)ccn1 129802756 LDZRGMNRQPWEPN-CQSZACIVSA-N 343.431 1.489 0 40 EDAB C[C@H](C(=O)N[C@H](CO)Cc1ccc(O)cc1)N1CCc2ccccc21 188375861 HOWVKQBTLHZRJJ-PBHICJAKSA-N 340.423 1.863 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Br 36107554 DOIBPJIHLNEDNC-UHFFFAOYSA-N 333.251 1.694 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@@]3(COC[C@H]3CO3)O2)cc1 217345859 XFUHVCZVGQJFMO-ZAHIEGGZSA-N 341.363 1.223 0 40 EDAB CC(C)(N)C(=O)N1CCC(c2cc(Nc3ccccn3)[nH]n2)CC1 72360773 DFYMYWZCLULOJD-UHFFFAOYSA-N 328.420 1.992 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)C1(n2cnnn2)CCCCC1 72404318 FRFNBTKGPUWTCG-UHFFFAOYSA-N 329.360 1.378 0 40 EDAB CC(=O)N(C)CC(=O)N1CCN(Cc2cccc3cccnc23)CC1 46327928 IGUCMTCLMHSLCF-UHFFFAOYSA-N 340.427 1.357 0 40 EDAB CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1 514289124 IDGSWJKNCROENS-ZWKOTPCHSA-N 343.471 1.174 0 40 EDAB biogenic,in-vitro Cc1cc(S(=O)(=O)NCCN2CCCCC2)sc1C(=O)O 48441066 GTMAGHIGXOKYBF-UHFFFAOYSA-N 332.447 1.519 0 40 EDAB Cn1cc(CN2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)cn1 96249435 OVWWKDRAUJBMEU-QZTJIDSGSA-N 327.432 1.685 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)c1ccc3c(c1)OCCO3)CC2 97198867 HBTMEVBKDJPAGU-GFCCVEGCSA-N 328.372 1.357 0 40 EDAB CN(C)C(=O)COC[C@@]12CCO[C@@H]1CCN(Cc1cccs1)C2 96206844 FMGZQEWKVWDLJR-WBVHZDCISA-N 338.473 1.834 0 40 EDAB Cn1cc(CN2C[C@H]3C[C@H](CNC(=O)c4ccsc4)O[C@H]3C2)cn1 96251663 AANVARRETJSOLI-OAGGEKHMSA-N 346.456 1.501 0 40 EDAB CN(CC(=O)N1CCN(c2cc(Cl)ncn2)CC1)c1ccccc1 96449128 GVPAAABHOZURMI-UHFFFAOYSA-N 345.834 1.915 0 40 EDAB CN1C(=O)[C@H](c2cccnc2)CC12CCN(c1ncc(F)cn1)CC2 96087441 FZCWTZONIDNOSQ-HNNXBMFYSA-N 341.390 1.996 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)c1cccc(OCc2nnnn2C)c1 96193034 MQJBCQGSVXQASU-UHFFFAOYSA-N 341.375 1.392 0 40 EDAB c1cnc(N2CC[C@]3(COCCN(Cc4cccnc4)C3)C2)nc1 96062508 AVOHBPPQSAITEW-GOSISDBHSA-N 325.416 1.601 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(C(=O)c1ccco1)CC2 96061533 AOFVMPXUNGLNOU-CQSZACIVSA-N 342.399 1.634 0 40 EDAB CCOc1cc(S(=O)(=O)n2cnnc2)ccc1Br 583645783 NNDDLTIZOWIHNJ-UHFFFAOYSA-N 332.179 1.676 0 40 EDAB CC(C)(C)CN1CCC[C@H](N2CC[C@H](c3cc(O)nc(O)n3)C2)C1=O 583652014 YAORBJZYGYYOET-JSGCOSHPSA-N 348.447 1.714 0 40 EDAB O=C(Cc1ccsc1)N1CCn2cc(CN3CCOCC3)nc2C1 96197300 RAJVZIYHUYLDMP-UHFFFAOYSA-N 346.456 1.362 0 40 EDAB COC(=O)[C@@H](O)C1CCN(Cc2cccc(-n3cccn3)c2)CC1 92014387 SWCDCUHSCPXHBD-KRWDZBQOSA-N 329.400 1.618 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)CCc2cc(F)ccc2Br)C1 97372647 GZDBZXUKXZYGLU-SNVBAGLBSA-N 343.196 1.855 0 40 EDAB COCc1cnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@@H]2C 96109554 VAPBPFNXOAOJSA-LLVKDONJSA-N 329.356 1.975 0 40 EDAB O=C(c1ncccn1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109035 VBMHWXYQOLYCOL-KDOFPFPSSA-N 340.383 1.177 0 40 EDAB CC(=O)N[C@H](C)C(=O)NC[C@@H](C)Oc1cccc(Br)c1 96431860 UCRDDPWTMUABAC-NXEZZACHSA-N 343.221 1.857 0 40 EDAB O=C1NC2=NN[C@H](c3cn(-c4ccccc4)nc3C(=O)O)[C@@H]2S1 96306058 CEHFZXOEANDWKD-KOLCDFICSA-N 329.341 1.353 0 40 EDAB CN(Cc1cnc(N(C)C)nc1)C(=O)c1cc(O)nc(C2CC2)n1 582072200 PVLBMCXVSFULAH-UHFFFAOYSA-N 328.376 1.188 0 40 EDAB C[C@@H](C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1)S(C)(=O)=O 96423028 QPMRUAUHXADQCB-NWDGAFQWSA-N 344.864 1.858 0 40 EDAB COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cc2ccccc2[nH]c1=O 95477155 SWRIHHKYRLZCOZ-NSHDSACASA-N 327.340 1.960 0 40 EDAB Cc1ccc(N2CCC[C@H](NC(=O)Cn3ccccc3=O)C2=O)cc1 96426768 ARWZTXUODZABLA-INIZCTEOSA-N 339.395 1.469 0 40 EDAB CN(C)c1ncccc1CNC(=O)N1CCc2ccccc2[C@H]1CO 95417094 WJSOOYSQPWFUQA-QGZVFWFLSA-N 340.427 1.949 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1cccc(F)c1 244272912 WPLURRQPOGUYDO-UHFFFAOYSA-N 336.388 1.908 0 40 EDAB C[C@@H](C(=O)NCc1nccs1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 585121477 QKOCUAWGOOJJAQ-MNOVXSKESA-N 343.449 1.623 0 40 EDAB C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)N=[S@@](C)(=O)N(C)C 585115649 LWUJJVQPVKKHIK-CFMSYZGJSA-N 337.442 1.638 0 40 EDAB CN(C)C(=O)CO[C@H]1CSC2(C1)CN(Cc1nccs1)C2 247948315 BOALMLXOJULREI-LLVKDONJSA-N 327.475 1.308 0 40 EDAB COC[C@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccoc1)CC2 247888448 SHALTNIPENOQPO-OAHLLOKOSA-N 342.461 1.400 0 40 EDAB COCC(=O)NC[C@H]1CN(CCc2ccccc2)Cc2ccnn2C1 247816755 GIDNDUACLFVOMQ-KRWDZBQOSA-N 342.443 1.320 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1c1ccc(-c2cncc(C(=O)O)c2)cn1 257341148 ZJAKWZVVKYFYIM-OAHLLOKOSA-N 347.396 1.938 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CC[C@](O)(CN4CCCC4)C3)cc2n1 257316534 VFZYOFUXKZCBQH-SFHVURJKSA-N 343.431 1.019 0 40 EDAB CNCC(=O)N1CC[C@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 257274040 NJHJSRSTGGEUOB-ZDUSSCGKSA-N 326.404 1.459 0 40 EDAB Nc1ncnc2c1ncn2[C@H]1CCN(Cc2ccsc2)CC[C@@H]1O 257247174 IXULEUJFBIQHBZ-STQMWFEESA-N 344.444 1.668 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1 257322940 WIDBMFFFVPSXKG-OAHLLOKOSA-N 329.404 1.390 0 40 EDAB COc1ccc2ccccc2c1CN1CCN(C)C[C@H](C(N)=O)C1 257243826 IISIBNZDQVHMBP-HNNXBMFYSA-N 327.428 1.697 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2O)nc1 257287451 PQAQNJCQBBLMJG-NCOADZHNSA-N 328.368 1.062 0 40 EDAB Cc1ncccc1O[C@H]1CCN(C(=O)c2ncoc2C)CC[C@@H]1O 257289678 PZSXPJPLUMRWDL-ZFWWWQNUSA-N 331.372 1.731 0 40 EDAB CC(C)c1nnsc1C(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257235770 GZJJJYRDVMRXIS-RYUDHWBXSA-N 335.433 1.696 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)COc2cccnc2)CCN1C 257230293 GBPMRHDQTJSIJY-KRWDZBQOSA-N 341.411 1.984 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1CCn1c(=O)oc2ccccc21 26011447 OLIZSUFSZRJOPG-HNNXBMFYSA-N 333.369 1.022 0 40 EDAB CN(C[C@@]1(O)CCN(c2ccccn2)C1)C(=O)CC1(O)CCCCC1 257313925 UURRBHPKYHHDDU-IBGZPJMESA-N 347.459 1.567 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CC[C@@](O)(CN4CCCC4)C3)cc2n1 257316533 VFZYOFUXKZCBQH-GOSISDBHSA-N 343.431 1.019 0 40 EDAB Cc1cn[nH]c1[C@H]1COCCN1S(=O)(=O)c1ccc(F)cc1 257230468 GCMSHSKACSFFQT-CYBMUJFWSA-N 325.365 1.619 0 40 EDAB CN([C@H]1CCc2ccccc21)S(=O)(=O)CCCN1CCOCC1 274152038 CPEFWFLCZHOHLD-KRWDZBQOSA-N 338.473 1.658 0 40 EDAB CN(CCN1CCCC1=O)[C@@H]1CCN(c2ccccc2Cl)C1=O 69701400 QXOSGODZGPMFOH-OAHLLOKOSA-N 335.835 2.000 0 40 EDAB O=S(=O)(NCCn1ccnc1-c1ncccn1)c1cccs1 96103908 JDERPXBHHYVZPF-UHFFFAOYSA-N 335.414 1.380 0 40 EDAB CC(C)Cn1nccc1C(=O)N1CC2(CCOCC2)CC[C@H]1CO 1615546844 DZZWZXWZNXEFIB-HNNXBMFYSA-N 335.448 1.933 0 40 EDAB Cn1cc(-c2noc(CNC(=O)c3cnc(O)c(Cl)c3)n2)cn1 390830317 KCZUERIBOMRGBG-UHFFFAOYSA-N 334.723 1.154 0 40 EDAB Cc1cc(-c2cccnc2)nn1CCNC(=O)c1cccn(C)c1=O 390827187 UVLHWIWDIKLDTC-UHFFFAOYSA-N 337.383 1.382 0 40 EDAB CSCC(=O)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 575403747 NNWDLFPAEMDNHF-CQSZACIVSA-N 336.457 1.969 0 40 EDAB CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc2c(c1)C[C@@H](C)O2 585110714 GAUGFSSHMSFVPD-XIKOKIGWSA-N 332.400 1.377 0 40 EDAB CO[C@@](C)(C(=O)O)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 1548451781 GRGUEQUAGMBAMG-MRXNPFEDSA-N 340.807 1.787 0 40 EDAB CCc1nnc2n1CCN(CC(=O)N(Cc1ccsc1)C1CC1)C2 69487697 MRUMBGYGUCQOQD-UHFFFAOYSA-N 345.472 1.909 0 40 EDAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCO[C@H](Cn2cncn2)C1 71876518 OHVDFDVLRSEGTN-RYUDHWBXSA-N 346.416 1.852 0 40 EDAB Cc1ccc(/C=C/S(=O)(=O)NCC2(C(N)=O)CCOCC2)cc1 55246009 FXBONSKXDIJSMO-IZZDOVSWSA-N 338.429 1.167 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N[C@@H](C)c2ccc(F)cc2)no1 40528921 MDPFZMCIKFBFIE-NSHDSACASA-N 340.376 1.914 0 40 EDAB COc1ccccc1C[C@@H]1CCCN1C(=O)CCN1C(=O)CCC1=O 58217470 ZCYLTTTVJOSQRF-HNNXBMFYSA-N 344.411 1.768 0 40 EDAB COc1cc(NC(=O)[C@H]2CCCN2C(=O)C2CC2)ccc1NC(C)=O 84796824 LAALVJWVQCLXKW-OAHLLOKOSA-N 345.399 1.993 0 40 EDAB O=C(NC[C@@]1(CCO)CCOC1)c1ccc(-c2ccco2)[nH]c1=O 84432890 WPCASYWBHYJOFI-QGZVFWFLSA-N 332.356 1.154 0 40 EDAB CNC(=O)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2CC2)cc1 97123961 NZMIQWOAPSJCFC-ZDUSSCGKSA-N 333.413 1.296 0 40 EDAB C[C@H]1Cc2cc(C(=O)N3CCOC[C@H]3C)ccc2N1S(C)(=O)=O 106051759 VUXSGVYZJWRCCJ-NWDGAFQWSA-N 338.429 1.258 0 40 EDAB CN1CCN(c2ccc(NC(=O)c3cccc(C(=O)O)c3)cn2)CC1 563114755 MCHKXHIZLSKYLY-UHFFFAOYSA-N 340.383 1.784 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](C(=O)O)C2CCOCC2)cc1C 566116471 JGKAZRGKKWVTDB-OAHLLOKOSA-N 341.429 1.709 0 40 EDAB CO[C@H]1[C@H](CNC(=O)CCc2c(C)noc2C)COC[C@H]1OC 1615128551 JAWJITNXBNAYOJ-XPKDYRNWSA-N 326.393 1.017 0 40 EDAB O=c1[nH]cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(=O)[nH]1 5187523 OPSVLKABENUGLD-UHFFFAOYSA-N 336.156 1.171 0 40 EDAB CCCCN(CC)C(=O)C(=O)[C@@H]1C(=O)Nc2ccccc2[S@]1=O 5783485 KEQJNJMTNXUPGE-FATZIPQQSA-N 336.413 1.333 0 40 EDAB C[C@H](NC(=O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)OCCO2 12971469 VEDNAXXIVASSBR-MCIONIFRSA-N 334.416 1.744 0 40 EDAB Cc1nnc(NC(=O)CSCc2cc(=O)n3ccccc3n2)s1 15864047 BDZZYQUZEGFCKU-UHFFFAOYSA-N 347.425 1.726 0 40 EDAB Cn1nccc1CN(CCCN1CCOCC1)Cc1cccnc1 19289217 IWEULFMZPCBOBI-UHFFFAOYSA-N 329.448 1.540 0 40 EDAB CN1CC(=O)NCCCCCOc2ccc(CCC(=O)O)cc2C1 643572510 GQVCENSXMIEXLD-UHFFFAOYSA-N 334.416 1.815 0 40 EDAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(c2nc(O)n[nH]2)CC1 552014857 RCAOWOYDZVYNPO-CYBMUJFWSA-N 348.790 1.873 0 40 EDAB CCN(Cc1ccccc1)C(=O)CNC(=O)c1conc1C(C)(C)N 566474519 RQURFGDKLGVLNL-UHFFFAOYSA-N 344.415 1.647 0 40 EDAB NC(=O)C[C@H](NC(=O)c1coc2ccc(F)cc12)C1CCOCC1 569004388 CNIHVUXQVMTTPC-AWEZNQCLSA-N 334.347 1.972 0 40 EDAB O=C(c1cnn2c1OCCC2)N1CCC[C@@H](Oc2ncc(F)cn2)C1 585147250 HUIUSLQNBITZQS-GFCCVEGCSA-N 347.350 1.278 0 40 EDAB O=S(=O)(C1CC1)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C1 1888854033 WYNUMGFTHYSMBS-STQMWFEESA-N 334.445 1.214 0 40 EDAB CCc1cc(N2CCN(c3nc(C)cc(N(C)C)n3)CC2)ncn1 1889091447 IQQMBXHGXVADCC-UHFFFAOYSA-N 327.436 1.530 0 40 EDAB CN(C)CCCN=c1ccn2ncc(-c3ccc4c(c3)OCO4)c2[nH]1 1857524183 DQYRQFLRDJTHQM-UHFFFAOYSA-N 339.399 1.911 0 40 EDAB Cc1nn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c(C)c1Br 28576239 UAGSYEKFPVMWJA-DTORHVGOSA-N 330.226 1.898 0 40 EDAB O=C(CSc1ccc(F)cc1)N1CC[C@H](N2C(=O)COC2=O)C1 238828119 FFZWBCJRQWNKCZ-NSHDSACASA-N 338.360 1.498 0 40 EDAB Cc1cc(C(=O)NCCN2c3ccccc3N(C)S2(=O)=O)c(C)o1 245187614 ZQWIHRRYTHIMCZ-UHFFFAOYSA-N 349.412 1.827 0 40 EDAB C[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 100059863 FYFGEWYFSABBCF-LGSVPQMISA-N 333.727 1.871 0 40 EDAB COc1cnc(O[C@@H]2CCN(Cc3nnc([C@@H]4CCOC4)o3)C2)nc1 2086968365 GUHKDMPUIZSRRA-VXGBXAGGSA-N 347.375 1.025 0 40 EDAB CCCCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O 3015597 OASLXQZWDJFUGH-UHFFFAOYSA-N 339.399 1.849 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@@H]3C2)cn1 2055729828 RTWQWFSWBBYJEP-VBNZEHGJSA-N 329.400 1.288 0 40 EDAB O=C(N[C@@H]1CCc2onc(CN3CCCC3)c2C1)C1CCOCC1 2055739050 JMTUOZIKKUERGN-CQSZACIVSA-N 333.432 1.671 0 40 EDAB Cc1noc(CC(=O)N2CCc3ncnc(-c4ccncc4)c3C2)n1 2055771937 KPRFKRUXXONZMU-UHFFFAOYSA-N 336.355 1.357 0 40 EDAB COCCCn1cc(C(=O)O)c2nn(-c3ccccc3)c(=O)c-2c1 100871700 PZWKYBQHKYFGJU-UHFFFAOYSA-N 327.340 1.874 0 40 EDAB COc1ccc(CCNc2ncnc3c2nc(O)n3C)cc1OC 2086867344 LSUVXOJESDWQEW-UHFFFAOYSA-N 329.360 1.741 0 40 EDAB O=C(NCCOc1cc(N2CCCC2)ncn1)NCc1ccccc1 36708022 UDJLATJORMYPBO-UHFFFAOYSA-N 341.415 1.955 0 40 EDAB O=C(NC[C@H](OCCO)c1ccsc1)c1ccc2c(c1)OCO2 575619493 GERLOHFYSSUKLH-HNNXBMFYSA-N 335.381 1.957 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCc2ccnc(-n3cccn3)c2)C1 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329.278 1.515 0 40 EDAB COc1cc(C(=O)NS(C)(=O)=O)ccc1OCc1ccccc1 42278751 UEOTXVRSDRWASG-UHFFFAOYSA-N 335.381 1.964 0 40 EDAB O=C1SCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1 184027 FRHDRSCMTPSQLX-SECBINFHSA-N 336.232 1.760 0 40 EDAB CC[C@@H](CO)NC(=O)N[C@@H](c1ccc(OC)cc1)c1nccn1C 47601157 AXLNPUMCAYAVHR-ZFWWWQNUSA-N 332.404 1.588 0 40 EDAB Cc1nc(C)c(C(=O)NCCN2C(=O)c3ccccc3C2=O)s1 54255143 JMIDFIZDJJPUHB-UHFFFAOYSA-N 329.381 1.786 0 40 EDAB Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1CCCCC1 79496013 JVIDIGRKNJBDBN-UHFFFAOYSA-N 337.489 1.626 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)N1CCC(N2CCCC2=O)CC1 104625165 ZSBWYDCDBYKSNE-HNNXBMFYSA-N 335.448 1.391 0 40 EDAB COc1cc(NC(=O)C[C@H]2N[C@H]3CCCC[C@H]3NC2=O)cc(OC)c1 4223154 MXWUEFNTFGGQRN-ARFHVFGLSA-N 347.415 1.432 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccnc(-n2cncn2)c1 54705958 PBDGBWBSSVZPOO-UKRRQHHQSA-N 329.404 1.987 0 40 EDAB COCCNC(=O)[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(C)C 4982326 KILMYLIEDDDYPC-INIZCTEOSA-N 333.384 1.793 0 40 EDAB CCOc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OCC(=O)O 6892370 SUTDFODCQZJZEB-RNCFNFMXSA-N 327.358 1.337 0 40 EDAB COc1cccc(CNC(=O)COc2cc(OC)ccc2C(N)=O)c1 24534949 RDDLDZYSBCPPFM-UHFFFAOYSA-N 344.367 1.498 0 40 EDAB O[C@@H]1CN(Cc2ccc3cc(F)ccc3n2)CC[C@H]1N1CCOCC1 43139756 YKFPDFHVPOCPPE-RTBURBONSA-N 345.418 1.641 0 40 EDAB COCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683617 ZSNODFKPFXPUJI-CYBMUJFWSA-N 346.836 1.256 0 40 EDAB COC[C@@H](C)NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 8041607 GUDDSAYFOFWELM-CQSZACIVSA-N 342.461 1.692 0 40 EDAB O=C([C@@H]1Cc2ccccc2S1)N1CCN([C@H]2CCC[C@H]2O)CC1 106909600 FHNPCUKBDDYNLB-UXLLHSPISA-N 332.469 1.761 0 40 EDAB O[C@H](CNC[C@H]1CCCN1c1cccnn1)COc1ccc(F)cc1 106906376 ZHBFAOLTCFUBEE-HZPDHXFCSA-N 346.406 1.614 0 40 EDAB CN1CC(=O)N(CC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)C1=O 55999289 BOTRPTWBBTVFED-CQSZACIVSA-N 333.363 1.253 0 40 EDAB O=C(NCCN1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1)C1CCC1 107497663 TZZWDCYPCNCWDU-RYQLBKOJSA-N 347.503 1.873 0 40 EDAB NC(=O)C1(CNC(=O)Cc2cccc3cccnc23)CCOCC1 57007197 BIZLCPMERGVCQJ-UHFFFAOYSA-N 327.384 1.176 0 40 EDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CCC(=O)NC1 48049399 WMEGTAUAYMMCPC-TZMCWYRMSA-N 327.388 1.313 0 40 EDAB O=C([C@@H]1CN(c2ncc(F)cn2)CC12CCOCC2)N1CC=CC1 107194719 FZOXCOPWEYXDOA-AWEZNQCLSA-N 332.379 1.247 0 40 EDAB COc1cc(CCC(=O)NC[C@H]2CCS(=O)(=O)C2)cc(OC)c1 44721013 LWNXMKKSWWLALG-CYBMUJFWSA-N 341.429 1.187 0 40 EDAB COC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 58133268 DPUFAUUFYQNUGI-GDBMZVCRSA-N 344.411 1.984 0 40 EDAB O=C(CNS(=O)(=O)Cc1ccccc1)N1CCc2ccccc21 25133281 JHCUOOLBYOIMIR-UHFFFAOYSA-N 330.409 1.695 0 40 EDAB CS(=O)(=O)CCN1CCN(c2nc3ccccc3s2)CC1 44977415 YMERFTXIYXMBKF-UHFFFAOYSA-N 325.459 1.463 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 12735059 SXMGDPGHIGVNBP-MRXNPFEDSA-N 326.462 1.630 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(Cc2ccon2)CC1 72305204 CZEKXSGCYUUSJO-AWEZNQCLSA-N 346.435 1.597 0 40 EDAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCOCC2)c2ccc(F)cc21 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1.764 0 40 EDAB Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(F)cc1 3520168 HRSRYRBOHVCOPX-UHFFFAOYSA-N 336.392 1.572 0 40 EDAB COc1cccc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)c1OC 12946305 XNNHLAFSLZMPOC-NSHDSACASA-N 346.435 1.730 0 40 EDAB C[C@@]1(NC(=O)C2=Cc3cc(Cl)ccc3OC2)CCS(=O)(=O)C1 13003467 UQASZSIIYYTYPB-OAHLLOKOSA-N 341.816 1.809 0 40 EDAB Cc1ccc(CC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cn1 96005458 NBRIOHMAZYEQKG-UHFFFAOYSA-N 337.445 1.005 0 40 EDAB O=C(Nc1cnn(CC(F)F)c1)Nc1cccnc1-n1cncn1 72941974 XQORZOZCDTYUJF-UHFFFAOYSA-N 334.290 1.768 0 40 EDAB COc1ccc(S(=O)(=O)CC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 4040734 ZTKNGGWKHZGTAL-VXGBXAGGSA-N 327.402 1.105 0 40 EDAB CN(C)C1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1 65449557 CMOSUSDNHJTLQO-UHFFFAOYSA-N 331.416 1.927 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)NCc2ccc(C)nc2)c1 65412623 CGEYDBDGYOILDU-MRXNPFEDSA-N 345.399 1.940 0 40 EDAB CNC(=O)CN1CCC(NC(=O)Nc2cnc3ccccc3c2)CC1 65402380 MDZBBQXBTZGGCB-UHFFFAOYSA-N 341.415 1.567 0 40 EDAB 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NRGVSBUNQLMCJR-UHFFFAOYSA-N 339.436 1.420 0 40 EDAB COCCN(CCC(=O)OC)Cc1cc(=O)oc2cc(OC)ccc12 69778753 YSDBADZUDOBAAE-UHFFFAOYSA-N 349.383 1.813 0 40 EDAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)O[C@@H]1CCOC1=O 5919339 QCGDXMNQMBRQNW-GFCCVEGCSA-N 347.348 1.207 0 40 EDAB Cn1nc(CC(=O)NCCc2cccc(F)c2)c2ccccc2c1=O 7124975 PRTKGQSZXXUPKZ-UHFFFAOYSA-N 339.370 1.974 0 40 EDAB C[C@H](CC(=O)NCCS(N)(=O)=O)c1ccccc1C(F)(F)F 96436147 LINPRZJSYQFKRA-SECBINFHSA-N 338.351 1.604 0 40 EDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H]1COc2ccccc2O1 67620214 CKZGQLWTWQHTEQ-CJNGLKHVSA-N 332.400 1.686 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCc2ccccc2F)C1=O 7478980 XIRXCSKFFDRLFK-KRWDZBQOSA-N 333.363 1.205 0 40 EDAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc[n+]([O-])cc2)c1C 7681680 GHEDZKBVKKOWRQ-ZDUSSCGKSA-N 346.383 1.985 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)[C@H]1C[C@H]1c1ccccc1 68493656 DJZKQRBOYPXRNE-HOTGVXAUSA-N 336.457 1.626 0 40 EDAB O=C(CSc1nnc(NCc2ccco2)s1)N1CCOC1=O 7855049 RLPVUPNLWTXACH-UHFFFAOYSA-N 340.386 1.814 0 40 EDAB O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1C=C[C@H](CO)C1 81493060 BRWPZKRAMGWMKT-LSDHHAIUSA-N 339.505 1.584 0 40 EDAB O=C(CNC(=O)NCc1ccc(Br)cc1)NC1CC1 71882532 HILQNBPFSKJZRT-UHFFFAOYSA-N 326.194 1.527 0 40 EDAB NC(=O)CC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 71815193 WXYHTHBZZXQYIJ-UHFFFAOYSA-N 347.806 1.648 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cccc(OCC(N)=O)c1 71880589 VMVBNWLIOBZGDI-ZWKOTPCHSA-N 345.443 1.526 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2sccc2-n2cnnn2)c1 70039641 YDAADTSCYJRVRR-LBPRGKRZSA-N 343.416 1.534 0 40 EDAB CC(C)[C@@H](NC(=O)CN1CCN(C[C@H](C)O)CC1)c1cccs1 70004364 QVKCXTIFFVMTJR-WMLDXEAASA-N 339.505 1.560 0 40 EDAB O=C1NCCN1[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 71841712 AMRZYOLOSBQBCN-HNNXBMFYSA-N 331.391 1.874 0 40 EDAB CCn1cc(S(=O)(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)c(C)n1 17071186 QYLQMCNVPDWONQ-SNVBAGLBSA-N 340.327 1.233 0 40 EDAB CCOCCO[C@H](C)C(=O)NCCc1ccn(-c2ccccc2)n1 69485839 HWRIKXJHRUCCLW-OAHLLOKOSA-N 331.416 1.973 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1ccc3c(c1)NC(=O)CS3)C2 69461918 KFAPNPBDCZFSMV-UHFFFAOYSA-N 329.385 1.287 0 40 EDAB CCc1nnc2n1CCN(C(=O)CCc1ccc3c(c1)OCO3)C2 69489217 CYJJRLDNTDPZDS-UHFFFAOYSA-N 328.372 1.544 0 40 EDAB O=C(NCCNC(=O)c1cnccn1)c1cccc(Br)c1 69486759 CKTGROZQVWOIME-UHFFFAOYSA-N 349.188 1.399 0 40 EDAB COc1ncccc1CNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 69595369 DASAGCFFZYOJFZ-CQSZACIVSA-N 340.383 1.695 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)NCC[S@@](=O)Cc1ccccc1 69739487 VXLSYUMSKAHCHW-QKKBWIMNSA-N 344.502 1.644 0 40 EDAB CC(C)(CCCNC(=O)c1ccc2c(c1)OCC(=O)N2)C1OCCO1 69874134 CYSUVDWMHDNENO-UHFFFAOYSA-N 348.399 1.927 0 40 EDAB CCn1ccnc1CN1CCN(Cc2ccc(C(N)=O)cc2)CC1 69876765 YHLIRQBNQJLNQY-UHFFFAOYSA-N 327.432 1.320 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N1CCC[C@H]1c1cccs1)CC2 69969612 YCWFTPVSMWGYMT-KGLIPLIRSA-N 345.472 1.916 0 40 EDAB O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@@H](O)C1 97096066 MTTGKZGDZQPHMI-SECBINFHSA-N 338.198 1.734 0 40 EDAB COc1c([C@@H]2CCCN2CC(=O)Nc2cc(C)nn2C)c(C)nn1C 72253708 ZKRPNCSQQDEGOH-ZDUSSCGKSA-N 346.435 1.555 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)CN1Cc1ccco1 72283079 YCUKZIPCAFFOPG-KGLIPLIRSA-N 342.399 1.757 0 40 EDAB Cc1cccc(C2(C(=O)N3CC[C@@]4(C3)NC(=O)NC4=O)CCCC2)c1 72290622 YRWDRNSNJBWEPU-IBGZPJMESA-N 341.411 1.617 0 40 EDAB COc1ccc(CN(CCNC(=O)C2CC2)C(=O)C2CC2)c(OC)c1 72286094 LNDAPWUBTPKXAW-UHFFFAOYSA-N 346.427 1.969 0 40 EDAB CNc1ncnc2ncn(C[C@H](O)CN3CCc4ccccc4C3)c12 72286633 ZDFJZSNNBDVFGV-OAHLLOKOSA-N 338.415 1.287 0 40 EDAB O=C(c1ccc(OCC2CC2)nc1)N1CCC[C@@H](n2cncn2)C1 72235091 BIYUTBALDVRQGP-OAHLLOKOSA-N 327.388 1.939 0 40 EDAB O=C(c1ccn(-c2ccccc2)n1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269404 WLIFZGPINUNWPQ-QZTJIDSGSA-N 340.427 1.544 0 40 EDAB COCCN1CCN(C[C@H](O)c2cc(OC)ccc2OC)C[C@@H]1C 72279855 JUDGAOASGGGWAR-YOEHRIQHSA-N 338.448 1.390 0 40 EDAB CCCCN(C)S(=O)(=O)Nc1ccc(-n2cncn2)c(F)c1 72283623 HURDUFAIOJGULT-UHFFFAOYSA-N 327.385 1.795 0 40 EDAB CSc1ccc(CNC(=O)N[C@@H](C)CN2CCN(C)CC2)cc1 72270169 TYZBZUVTWBHPEW-AWEZNQCLSA-N 336.505 1.844 0 40 EDAB CCc1noc(CCCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1 72269531 YLFYGODHHWYLFL-UONOGXRCSA-N 336.436 1.012 0 40 EDAB Cn1ccnc1CCNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 95404152 ZLBZIAAWUYEHRK-QGZVFWFLSA-N 342.443 1.370 0 40 EDAB Cn1cnnc1SCc1nc2ncccn2c1Br 27030092 CCIVICFNNBFICX-UHFFFAOYSA-N 325.195 1.913 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)c1cccs1 86001129 PFCHSFPPLBRIPH-SECBINFHSA-N 348.881 1.716 0 40 EDAB Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3n[nH]c(=O)[nH]3)cc2)n1 75093007 FRPXLSBBEPVKMR-NSHDSACASA-N 326.360 1.392 0 40 EDAB c1ccc(-c2noc(C3CCN(c4ccc5nncn5n4)CC3)n2)nc1 89884658 HCGRMTUGGFCFAU-UHFFFAOYSA-N 348.370 1.953 0 40 EDAB C[C@H]1CN(C)CCN1CC(=O)NCCOc1ccc(Cl)cc1 89939016 UMTPKVOHTLTMTN-ZDUSSCGKSA-N 325.840 1.471 0 40 EDAB Cc1nc([C@@H]2CCCN2CC(=O)NCCOc2ccc(F)cc2)no1 75573094 CMFORARCXQLICL-HNNXBMFYSA-N 348.378 1.849 0 40 EDAB C[C@H](Cn1ncc2ccccc2c1=O)NCc1nn(C)cc1Cl 1560400934 FZSFBYWDGGBWQK-LLVKDONJSA-N 331.807 1.962 0 40 EDAB NC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 35898085 IYLZVIBRIULOIL-FCMYFTRRSA-N 346.408 1.797 0 40 EDAB O=C(O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)cn1 521287681 PSSHAGLZBWEUTK-LBPRGKRZSA-N 331.353 1.155 0 40 EDAB CC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)COC 217529478 KIYIMOGBROJIAI-WDEREUQCSA-N 344.433 1.908 0 40 EDAB c1ccc(-c2cc(CNCCN3CCOCC3)c3nnnn3c2)cc1 72392313 DEMZATDPHDRTHL-UHFFFAOYSA-N 338.415 1.213 0 40 EDAB COc1ccccc1OCc1cn(CC(=O)NCc2ccco2)nn1 227160942 GHEGJDMQDILJDM-UHFFFAOYSA-N 342.355 1.775 0 40 EDAB CCn1nc(C)c2ncnc(NCCNC(=O)c3cc(C)n(C)n3)c21 226688042 AVHQLOXMYAPSMP-UHFFFAOYSA-N 342.407 1.038 0 40 EDAB O=C1NC(=O)C2(CCN(Cc3ccccc3C(F)(F)F)CC2)N1 263982897 QTVMOMHKOHSIAZ-UHFFFAOYSA-N 327.306 1.879 0 40 EDAB COc1ncccc1C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 49027038 IGYRHUPFADIPRM-UHFFFAOYSA-N 344.371 1.878 0 40 EDAB Cc1nn(C)c2cnn(Cc3ccc(C(=O)Nc4ccn(C)n4)o3)c12 41123742 GGUUJPPBAGMSPH-UHFFFAOYSA-N 339.359 1.705 0 40 EDAB Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cccn2C)n(C)n1 130906468 HVISUPVCLKRTRH-AWEZNQCLSA-N 329.404 1.759 0 40 EDAB O=C(CCc1ccccc1)N1CC[C@H](NC(=O)C2(C(=O)O)CCC2)C1 576043135 DFLVBPXUYKUNJK-HNNXBMFYSA-N 344.411 1.591 0 40 EDAB O=S(=O)(C[C@@H]1CCCCO1)N1CC[C@@H](c2nc(C3CC3)no2)C1 328893289 AEUMIORUGSFWPW-OLZOCXBDSA-N 341.433 1.635 0 40 EDAB COC[C@H](O)CN(C)S(=O)(=O)c1cccc2c1OC(C)(C)C2 225710535 VTHMSLLFLGSGKA-GFCCVEGCSA-N 329.418 1.028 0 40 EDAB COc1ccc(CCCN2CCC[C@H](NS(C)(=O)=O)C2)cc1F 195572838 OGVRIUYJVZOHOV-AWEZNQCLSA-N 344.452 1.781 0 40 EDAB CNS(=O)(=O)c1cccc([C@@H](C)NCC[C@@H]2CCCN2C)c1 195549734 HOLRPVGVOKXLHZ-HIFRSBDPSA-N 325.478 1.730 0 40 EDAB Cn1cccc1C(=O)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072483 WTTGWXDCWGTMIO-CRAIPNDOSA-N 327.384 1.873 0 40 EDAB O=C(c1ccsc1)N1CCC2(CC1)C[C@H](N1CCOCC1)CO2 96158667 GNGZCFTVQGEONK-HNNXBMFYSA-N 336.457 1.844 0 40 EDAB O=C(Cc1ccc(F)cc1)NCCNc1cc(N2CCCC2)cnn1 96120938 FATCMXBBHXFBNW-UHFFFAOYSA-N 343.406 1.987 0 40 EDAB Cn1nc(Br)cc1C(=O)N1CCC[C@H]1Cn1ccnn1 583619086 PDQZWJYGIKLGLN-VIFPVBQESA-N 339.197 1.079 0 40 EDAB O=C(NC1CCC1)C1=NO[C@]2(CCN(C(=O)Cc3cccs3)C2)C1 96225567 REHASWBTLFFOPM-QGZVFWFLSA-N 347.440 1.707 0 40 EDAB NC(=O)c1cccc(-n2ccnc2-c2cn(C3CCNCC3)nn2)c1 91305725 XXIFCNMASJNQCW-UHFFFAOYSA-N 337.387 1.154 0 40 EDAB COC(=O)C[C@H](c1cccnc1)c1c(O)nc2ccc(C)cn2c1=O 96115779 LPJPFXFDJONXPB-CYBMUJFWSA-N 339.351 1.799 0 40 EDAB biogenic O=C(c1n[nH]c(O)n1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 96461254 FNMIBSHBHAYFIZ-NSHDSACASA-N 340.343 1.928 0 40 EDAB Cc1cc(N2CCN(Cc3cc(C(N)=O)cs3)CC2)nc(C)n1 92703895 USCAYOHZFURJBQ-UHFFFAOYSA-N 331.445 1.576 0 40 EDAB CC(C)C[C@H](NC(=O)[C@@H]1CCN(C)[C@@H]1C)C(=O)Nc1nccs1 585089767 XLAZKDIQTZTFFI-UPJWGTAASA-N 338.477 1.953 0 40 EDAB c1ccc(CN2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)nc1 248072450 GQGQZMXRLXLLMC-DJIMGWMZSA-N 326.400 1.930 0 40 EDAB O=C(NCCc1c[nH]cn1)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 245187652 ZSHPFBBOYSLFHW-GFCCVEGCSA-N 336.779 1.598 0 40 EDAB COC(=O)c1cc(NS(=O)(=O)C2=Cc3ccccc3CC2)nn1C 585124156 CINXOMBEAYBDQE-UHFFFAOYSA-N 347.396 1.936 0 40 EDAB CC(C)(C)OC(=O)NOC(C)(C)COC(=O)C[C@@H]1COC(=O)C1 585135858 GJHXVPIEJZJCBV-SNVBAGLBSA-N 331.365 1.718 0 40 EDAB Cc1ncoc1CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 585132969 KVSABKAGJHNIDC-INIZCTEOSA-N 329.312 1.679 0 40 EDAB CN1CCN(CC(=O)N=[S@](C)(=O)N(C)C)c2ccc(F)cc21 585117390 ZXAGOGLJKYWIOZ-QFIPXVFZSA-N 328.413 1.183 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)c3ccc(C)s3)CC2)OC[C@]1(C)O 257326349 WWWSMVYYCGCKPX-HOCLYGCPSA-N 338.473 1.791 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(Cc2ccc(C(=O)O)cc2)C1 257219956 DIYWZNKHHCVIAR-ZDUSSCGKSA-N 349.412 1.501 0 40 EDAB O[C@@H]1[C@H](Oc2cccc(F)c2)CC[C@@H](NCc2cccnc2)[C@H]1O 257223138 DWBKVAARYRMABB-BRSBDYLESA-N 332.375 1.642 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CN(Cc3cccc(C)c3)CCO2)n1 257224697 FCXSPDDPXDFLOB-GOSISDBHSA-N 340.427 1.995 0 40 EDAB COc1ccc([C@H]2CN(C(=O)CCc3ccnn3C)CCN2C)cc1 257228747 FVBFDWMGZVKJOE-GOSISDBHSA-N 342.443 1.877 0 40 EDAB CN(C[C@]1(O)CCCN(c2ccccn2)C1)C(=O)c1cscn1 257221504 DPIULWJELJRHNK-MRXNPFEDSA-N 332.429 1.642 0 40 EDAB CCc1noc(C)c1C(=O)NC[C@]1(O)CCCN(c2cnccn2)C1 257341025 ZIMRHARSYSDLED-QGZVFWFLSA-N 345.403 1.097 0 40 EDAB Cc1cc2cc(C(=O)N[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)ccc2o1 257236049 HAOTVNZPXHKCII-JFIYKMOQSA-N 344.411 1.695 0 40 EDAB COc1cccc(S(=O)(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 257279220 OFORQFSQBCUEMP-IAGOWNOFSA-N 349.408 1.508 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257341686 ZLKSEZLZJISDPX-CYBMUJFWSA-N 331.376 1.067 0 40 EDAB CC(=O)N[C@H]1CC2(CCN(C(=O)C3CCCC3)CC2)OC[C@]1(C)O 257341092 ZIURWYJRSDDPGB-RDJZCZTQSA-N 338.448 1.214 0 40 EDAB CN(C)Cc1ccnc([C@H]2CCCN2S(=O)(=O)c2cccnc2)n1 257275055 NNSVQROJSSPAFT-OAHLLOKOSA-N 347.444 1.459 0 40 EDAB Cc1cc(C)c(O)c(C(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)c1 1615052576 SMQHDRWYDYSWPN-AWEZNQCLSA-N 343.427 1.794 0 40 EDAB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NCc1ccc(Cl)nc1)C2 1616038297 QWOMPEHZRBTSMF-STQMWFEESA-N 329.853 1.780 0 40 EDAB Cc1ccncc1[C@H]1CCN(C(=O)CN2CCCC[C@@H](O)C2=O)C1 606444381 AKLAMNZXHPLPQD-GOEBONIOSA-N 331.416 1.079 0 40 EDAB CO[C@]1(COc2ccccc2)COCCN(C(=O)c2ncccn2)C1 585269557 YRYAEJNOSYLLLU-SFHVURJKSA-N 343.383 1.413 0 40 EDAB CC1CC(C(=O)N2CCOC[C@@H]2c2nccc(N3CCOCC3)n2)C1 585113147 NZOIRXOLRPXBBV-YMAMQOFZSA-N 346.431 1.259 0 40 EDAB CCOC(=O)C(C(=O)OCC)N(C)S(=O)(=O)c1ccc(C)cc1 585139901 JRTQKAREDWYOGW-UHFFFAOYSA-N 343.401 1.110 0 40 EDAB O=C(C1CC(O)C1)N1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 585100885 YAXUEDUGTLWVBR-TXVKYFBMSA-N 332.400 1.381 0 40 EDAB CN1C[C@]2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O 585104851 VKCDRUPMCZBFRT-CYBMUJFWSA-N 330.310 1.181 0 40 EDAB CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCCCOCc1ccco1 70038303 LKYINWIVFOKNRS-TZMCWYRMSA-N 346.449 1.266 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 44870521 XSQHKACNWLZCGF-UHFFFAOYSA-N 349.818 1.771 0 40 EDAB O=C(NCCc1cc(F)cc(F)c1)c1sccc1-n1cnnn1 58178358 MPGUFXGLJOMVFE-UHFFFAOYSA-N 335.339 1.975 0 40 EDAB Cc1cccc2nc(COc3ccc(S(C)(=O)=O)cc3)cc(=O)n12 40479303 GFJNJXWMCYVQRV-UHFFFAOYSA-N 344.392 1.985 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)N2CCC(n3cncn3)CC2)C12CCC2 74604124 WYVUTKOMSOLWME-GJZGRUSLSA-N 333.436 1.972 0 40 EDAB O=C(NCC1(O)CCOCC1)C(=O)Nc1ccccc1C(F)(F)F 77193630 QCQHSAKJZFUXRV-UHFFFAOYSA-N 346.305 1.302 0 40 EDAB CCCN(Cc1cc(=O)n(C)c(=O)n1C)[C@@H]1C[C@H](OCC)C1(C)C 75145475 DGWQTOIJBXGBCF-CABCVRRESA-N 337.464 1.500 0 40 EDAB O=C1CC[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CN1 75140153 BPZJBYJJQPRKRT-HNNXBMFYSA-N 330.409 1.911 0 40 EDAB O=C(NC[C@H](O)c1ccc(Cl)s1)c1ccnc(-n2cncn2)c1 75266888 BOYOSHWGECLYHL-JTQLQIEISA-N 349.803 1.841 0 40 EDAB Cc1cc(C)cc(OCCNC(=O)NCC(=O)NCc2ccco2)c1 56820613 WNVJKGARWKNLCF-UHFFFAOYSA-N 345.399 1.891 0 40 EDAB NC(=O)CCNC(=O)c1ccccc1NC(=O)c1cccc(Cl)n1 75607289 IEFUYFJKTKXICY-UHFFFAOYSA-N 346.774 1.593 0 40 EDAB C[C@@H](C(N)=O)N1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1 96414450 POBYXQGVWCJVBW-JTQLQIEISA-N 334.401 1.035 0 40 EDAB O=C(CN1CCn2ccnc2C1)NCCOc1ccc(Cl)cc1 97201493 POMCJEIUADNFJS-UHFFFAOYSA-N 334.807 1.547 0 40 EDAB O=C(NCC1(OCCO)CCSCC1)c1cc(C2CC2)on1 828765284 BRYZDXLQPSKULR-UHFFFAOYSA-N 326.418 1.557 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)cc2)cc1 5251266 ODOCHJULRKGRTJ-UHFFFAOYSA-N 342.351 1.737 0 40 EDAB CC1(C)O[C@@H]2[C@@H](F)[C@H]([C@H](O)COC(=O)c3ccccc3)O[C@@H]2O1 5742047 KWTCJBZBPXSFRW-NLRWUALESA-N 326.320 1.419 0 40 EDAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NC[C@@H]1CCCO1 11977933 XSULUHFJKGXHFY-AWEZNQCLSA-N 346.456 1.793 0 40 EDAB Cc1cc2c(cc3c(=O)n(CC(=O)NCc4ccco4)nc(C)n32)o1 12115487 BGRZHJBNPSIFSB-UHFFFAOYSA-N 340.339 1.768 0 40 EDAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccncc2)n2nnnc2N1 13123584 YRYZMQIQIBCUFH-HNNXBMFYSA-N 333.355 1.996 0 40 EDAB CCCC(=O)N1CC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 19501088 YMMKJOALGKEUKX-CQSZACIVSA-N 343.431 1.683 0 40 EDAB CNC(=O)[C@@]1(C)CN(C(=O)c2cc3cc(C)ccc3n2C)CCO1 19746824 FJTAWNSXTQVDPI-GOSISDBHSA-N 329.400 1.464 0 40 EDAB COc1cccc(Cl)c1CC(=O)N1CCO[C@H](CN(C)C)C1 153656218 RTBQGPBLDDQPKR-GFCCVEGCSA-N 326.824 1.680 0 40 EDAB C[C@H]1CCCN(CCNC(=O)N2CCN(Cc3ccccn3)CC2)C1 159133438 XCXPKVBHEBXLMT-KRWDZBQOSA-N 345.491 1.641 0 40 EDAB CCCNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 5250731 RZWSPTSEFUGXOO-UHFFFAOYSA-N 339.417 1.081 0 40 EDAB CSc1ccc(CCC(=O)N2CC[C@@H](N3C(=O)CNC3=O)C2)cc1 575607521 UQDZITLCDWTRMV-CYBMUJFWSA-N 347.440 1.494 0 40 EDAB CCn1ccnc1[C@H]1CCCCN1C(=O)[C@H]1CCCN(C(N)=O)C1 579910313 QUIYMVKNNLNMMR-UONOGXRCSA-N 333.436 1.747 0 40 EDAB COc1ccc(CC(=O)N[C@H]2CCN(C3CCOCC3)C2)cc1OC 1888864078 HXJHBBPGLJOOPV-HNNXBMFYSA-N 348.443 1.616 0 40 EDAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC(CF)CC3)cc21 1888866875 OJRVGGJQBDVZMC-UHFFFAOYSA-N 328.365 1.502 0 40 EDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccccc5)C[C@@H]4C3)nn12 1888888414 VVUVSFNKNBPLCO-HOTGVXAUSA-N 348.410 1.641 0 40 EDAB Cc1nc2c(c(N3CCN(c4ccc5nncn5n4)CC3)n1)CCC2 1888897214 RDLALWCMNSAFKX-UHFFFAOYSA-N 336.403 1.038 0 40 EDAB O=C(C1CC(O)C1)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@H]21 1565554498 SXHWBIGICCQKOY-QEFFHFBBSA-N 346.427 1.375 0 40 EDAB COCCN1C[C@@H]2CN(C(=O)c3cc4ccccc4n3C)C[C@@H]2C1=O 1565554604 VQUWHZSIHFDODO-CABCVRRESA-N 341.411 1.355 0 40 EDAB O=C(O)[C@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 3881883 SGHPRHVRHUWVMB-PASDCYSWSA-N 338.363 1.577 0 40 EDAB Cc1cc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)no1 4940682 OLENNWXDEHRYRV-UHFFFAOYSA-N 335.341 1.156 0 40 EDAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)C1CC1)C2 2055812511 HHIITNWVABFFCP-QGZVFWFLSA-N 347.440 1.324 0 40 EDAB CCN1CCN(CC(=O)NCCc2ccc(OC)c(OC)c2)CC1 20939707 WJYFMBCUOSVKFL-UHFFFAOYSA-N 335.448 1.000 0 40 EDAB CN(C)c1cc(N2CCN(c3ncnc4ncccc34)CC2)ncn1 2086889614 AUHNTHOLOZOWOR-UHFFFAOYSA-N 336.403 1.207 0 40 EDAB Cc1cc2ncc3c(n2n1)CC[C@H](NC(=O)c1ccncc1F)C3 618256732 LUDCIRRQHUFHCX-LBPRGKRZSA-N 325.347 1.859 0 40 EDAB C[C@](O)(CNS(=O)(=O)c1c(F)cccc1F)Cc1ccco1 206618235 SCERHINXDWRHSE-CQSZACIVSA-N 331.340 1.830 0 40 EDAB O=C(Nc1ccccc1F)N1CCN(C(=O)N2CCOCC2)CC1 10463529 KUZWPDGAGXKYSD-UHFFFAOYSA-N 336.367 1.427 0 40 EDAB COc1cccc(N2C[C@H](C(=O)Nc3c[nH]ccc3=O)CC2=O)c1 40088197 PHFJCSWNDWMJHW-LLVKDONJSA-N 327.340 1.375 0 40 EDAB O=C1C[C@H](c2ccc(S(=O)(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)cc2)CN1 100208725 HZIHGWZABYTZLM-TUUVXOQKSA-N 346.452 1.781 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)c2c(c1)OCCCO2 40468007 RECZHBSDHJKICS-SNVBAGLBSA-N 345.804 1.418 0 40 EDAB COc1cccc(C[C@H](C(=O)NC2CCCC2)n2nnnc2C)c1 40540154 GGWMDYSSHBGIDO-MRXNPFEDSA-N 329.404 1.833 0 40 EDAB Cn1nc(C(=O)NCCN2CCCCCC2=O)c2ccccc2c1=O 32310508 AVWYTCHUYIABSC-UHFFFAOYSA-N 342.399 1.066 0 40 EDAB O=C1CNC(=O)N1c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 32598917 LOXUCRDMTARNBN-UHFFFAOYSA-N 349.343 1.683 0 40 EDAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(Cc2ccco2)C1 21291863 HWGDBAXRGRYRRC-SNVBAGLBSA-N 332.385 1.996 0 40 EDAB CCOCCCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 32721633 ZJQITFZXVFDTGE-UHFFFAOYSA-N 347.371 1.151 0 40 EDAB CC1(C)C[C@H](NC(=O)c2c(-n3cnnn3)sc3c2CCC3)CCO1 41128077 XLQRLXICRPOBGB-SNVBAGLBSA-N 347.444 1.900 0 40 EDAB CCc1ccsc1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 53090430 LXZHLWQBHHBTBI-ZDUSSCGKSA-N 342.486 1.255 0 40 EDAB CCCNC(=O)CNC(=O)c1ccnc(OCc2ccccc2)c1 53006157 WDBHTJNBOMOQCC-UHFFFAOYSA-N 327.384 1.917 0 40 EDAB Cn1nc(CC(=O)N2CCO[C@@H]3CCC[C@H]32)c2ccccc2c1=O 53382153 FLUMHCQXIDOUNZ-HZPDHXFCSA-N 327.384 1.256 0 40 EDAB COc1ccccc1CC(=O)NCCNC(=O)c1ccc(O)cc1 47552872 IDKRRJCHCZLZOW-UHFFFAOYSA-N 328.368 1.490 0 40 EDAB Cc1nc2ccccc2c(=O)n1CCNS(=O)(=O)c1cccs1 61718747 SZYOEOROONPKFH-UHFFFAOYSA-N 349.437 1.745 0 40 EDAB CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@H](C(F)(F)F)C1 78942458 DUENMBHQEJUBGA-QMMMGPOBSA-N 349.275 1.991 0 40 EDAB COC(=O)C[C@H]1CCCCN1CC(=O)NC(=O)Nc1ccccc1 54395039 GZDBQHVGXCVEPQ-CQSZACIVSA-N 333.388 1.752 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1 4749206 ORKHUTZSMRQDSU-UHFFFAOYSA-N 348.380 1.925 0 40 EDAB Cc1ccccc1OCC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 24689373 BPZXUPXSIUDSBZ-AWEZNQCLSA-N 340.445 1.304 0 40 EDAB CN1CC[C@@H](NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)C1=O 73884431 PBWUELWUHJWARE-YPMHNXCESA-N 329.322 1.227 0 40 EDAB O=C1CC[C@H](C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CN1 106153402 CJCVPMCABRVNTA-STQMWFEESA-N 335.835 1.809 0 40 EDAB NC(=O)C(NC(=O)c1sc2cc(Cl)ccc2c1Cl)C(N)=O 55274848 YKGHHIKSOZKNAC-UHFFFAOYSA-N 346.195 1.277 0 40 EDAB CN(C)Cc1ccccc1NC(=O)CCCN1C(=O)NC(C)(C)C1=O 24810715 OYHMWTLTLSYESY-UHFFFAOYSA-N 346.431 1.797 0 40 EDAB Cc1ccc(CN2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3C2)cc1C 108534344 UEJYTUAEERMCPU-IRXDYDNUSA-N 338.473 1.538 0 40 EDAB Cc1c(NC(=O)CNCc2ccco2)c(=O)n(-c2ccccc2)n1C 3233371 NQZAKSKNAIBKKZ-UHFFFAOYSA-N 340.383 1.806 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)c2cc3ccccc3[nH]c2=O)C1 25393840 DWJBTXLYJQEEMW-HNNXBMFYSA-N 343.427 1.615 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)[C@@H](OCC(F)(F)F)c2ccccc2)C1 56412844 IYBNVOUTVWFEGG-RYUDHWBXSA-N 330.306 1.640 0 40 EDAB COc1cccc([C@H](C(=O)O)N2CCN(c3cnccn3)CC2)c1 95377038 JJAWXJYPHPPOGM-MRXNPFEDSA-N 328.372 1.433 0 40 EDAB Cc1n[nH]c(SCC(=O)NCc2ccc(-c3ccn[nH]3)cc2)n1 72955992 APTKVKCCYFEYKO-UHFFFAOYSA-N 328.401 1.912 0 40 EDAB CNC(=O)[C@@H](C)CN(C)C(=O)NC[C@@H](c1cccs1)N(C)C 95406617 FHNBPKBFGTYXDW-RYUDHWBXSA-N 326.466 1.374 0 40 EDAB Cc1nn(C)c2cnn(CCNC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c12 57279867 GEDKMUIIQDLPGA-RYUDHWBXSA-N 333.392 1.085 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 110619345 UKBHLDLPLUCJEQ-NXWXRZEISA-N 343.471 1.881 0 40 EDAB COc1ccc(NC(=O)C(=O)NCc2cccc(C)n2)c(OC)c1 58167407 XKEKXXNPYQLDQI-UHFFFAOYSA-N 329.356 1.662 0 40 EDAB Cc1c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)oc2ccccc12 44894542 ZZWYLYVNJFKQRV-UHFFFAOYSA-N 327.340 1.555 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(OC)c1 58281886 XIEQFKJSXNYJSX-UHFFFAOYSA-N 346.408 1.806 0 40 EDAB Cc1nonc1C(=O)N(C)[C@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 95438367 YPUVAFYNKBFEHC-CVEARBPZSA-N 349.479 1.787 0 40 EDAB Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NCC(=O)N(C)C 58343810 BVMKWANHPOMMDM-UHFFFAOYSA-N 335.301 1.926 0 40 EDAB CC(C)COC[C@H](NC(=O)CCN1C(=O)CCC1=O)c1ccco1 58311301 MDHLQJROSMAMDX-ZDUSSCGKSA-N 336.388 1.649 0 40 EDAB CCN(CC)C(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC 58367316 AMBGCLLGQGROAI-UHFFFAOYSA-N 332.404 1.710 0 40 EDAB COCc1cccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 58393984 RRSCVERPPBVRGT-QGZVFWFLSA-N 345.443 1.387 0 40 EDAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(N)=O)cc1 59444137 XCUAGZYDKYXJEZ-UHFFFAOYSA-N 332.425 1.714 0 40 EDAB C[C@@H](CS(=O)(=O)N1CCN(Cc2ccon2)CC1)c1ccccc1 95415749 IUBRRVQNUDZUEF-HNNXBMFYSA-N 349.456 1.926 0 40 EDAB C[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)[C@H](C)CO1 45449381 YQZZKDQKMBMCCT-CHWSQXEVSA-N 338.429 1.476 0 40 EDAB O=C(NCc1cn2ccccc2n1)C1CCN(C(=O)C2CC2)CC1 28833388 XRUKBTCCUBBDBA-UHFFFAOYSA-N 326.400 1.599 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(C(N)=O)cc1 48326120 GIRUPKVKWLOVPD-BZNIZROVSA-N 326.352 1.630 0 40 EDAB CN(C)c1ccc(C(=O)N(CCC(N)=O)Cc2ccccc2)cn1 46176684 CZTASSJFMVXRIQ-UHFFFAOYSA-N 326.400 1.665 0 40 EDAB C[C@@H]1CN(C(=O)C2CCN(C(=O)c3cccnc3)CC2)C[C@@H](C)O1 29748109 NUEGUCFFMDZMBQ-ZIAGYGMSSA-N 331.416 1.570 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1cccc(Cl)c1 2622887 KRPIAWZOZIWZAB-UHFFFAOYSA-N 335.791 1.821 0 40 EDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NC(=O)NC1CCCC1 3464763 USIQFNVTHCREIE-UHFFFAOYSA-N 333.175 1.319 0 40 EDAB COc1cc(Br)c(OC)c(C(=O)N(C)CC(N)=O)c1 46979234 CTKQEUQHEASUDF-UHFFFAOYSA-N 331.166 1.024 0 40 EDAB COc1cc(OC)c2[nH]c(C(=O)N[C@@H](C)CN3CCOCC3)cc2c1 47151497 SOLXHTIGEZCIGM-LBPRGKRZSA-N 347.415 1.636 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1cccc(N3CCCC3=O)c1)CC2 62640121 YDHGOFZJFRLORP-CQSZACIVSA-N 339.399 1.458 0 40 EDAB CCc1nnc(NC(=O)c2ccccc2NS(C)(=O)=O)s1 9190850 RUEIAJORIJFTCP-UHFFFAOYSA-N 326.403 1.724 0 40 EDAB C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 9157682 BLFFYPIKRLRFJW-NSHDSACASA-N 331.459 1.730 0 40 EDAB CC(C)CN1CC[C@H](CNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)C1 95427099 WGZSTFRURJUZTH-PMPSAXMXSA-N 336.480 1.417 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)C1 13479808 VAQYHFYADUGVAZ-TXEJJXNPSA-N 346.474 1.725 0 40 EDAB CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSC(=N)N 20167568 GKLLFPWLYDCIEU-UHFFFAOYSA-N 328.394 1.136 0 40 EDAB NC(=O)[C@H](CNC(=O)Cc1cccc(F)c1)Cc1ccc(F)cc1 65459432 CBLMINOBKPSUQN-AWEZNQCLSA-N 332.350 1.968 0 40 EDAB CSCCC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 65447655 GWNHSADIFJGPGN-UHFFFAOYSA-N 332.433 1.064 0 40 EDAB CC(C)[C@@H](CNCc1c[nH]nc1-c1cccnc1)N1CCOCC1 65549574 WUUQLNZYGLBYSW-QGZVFWFLSA-N 329.448 1.918 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)NCCc1ccn(-c2ccccc2)n1 65552687 USTNLRRPDLMCSA-CQSZACIVSA-N 343.431 1.629 0 40 EDAB NS(=O)(=O)C1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 65513656 FMQJIWMIHBDWJV-UHFFFAOYSA-N 342.804 1.979 0 40 EDAB COc1cc2c(cc1OC)CN(CC(=O)NCc1ccco1)CC2 5346537 QXZLKKSHYVKHRG-UHFFFAOYSA-N 330.384 1.971 0 40 EDAB COCCN(CCOC)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 5349042 BAWSOEBMAHIECE-UHFFFAOYSA-N 336.388 1.920 0 40 EDAB COc1ccccc1-n1nnnc1SCCn1c(C)csc1=O 14116223 YRGZOMOWJWTAGO-UHFFFAOYSA-N 349.441 1.995 0 40 EDAB O=C(CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)NCc1ccco1 14198960 VPGDFEAWSGUQRQ-CYBMUJFWSA-N 345.330 1.277 0 40 EDAB COCCN1CC[C@@H](CNC(=O)COCCOc2ccccc2)C1 65625790 FJERYGAGRAHAFY-INIZCTEOSA-N 336.432 1.167 0 40 EDAB O=c1c2ccccc2cnn1CN(C1CC1)[C@H]1CCS(=O)(=O)C1 14266398 NDHLKXZVFRQMEM-AWEZNQCLSA-N 333.413 1.006 0 40 EDAB CCCn1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)ccc1=O 65857392 LQUMBMGQHCOIQD-UHFFFAOYSA-N 334.397 1.994 0 40 EDAB CCN1C[C@H](C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)CC1=O 66770530 QOTDQFWSJUAZMZ-HIFRSBDPSA-N 344.411 1.990 0 40 EDAB CC(C)(C)OC(=O)CCN1CCCC[C@H]1C(=O)N1CCOCC1 67230360 ZMKPMCLGDIHGAF-AWEZNQCLSA-N 326.437 1.432 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1 67201061 IGUIPYGROQKJPK-CQSZACIVSA-N 344.411 1.836 0 40 EDAB O=C(CCc1nc(C2CC2)no1)Nc1cnn(C[C@@H]2CCCO2)c1 84335632 MXSRFXXOUOSNKH-ZDUSSCGKSA-N 331.376 1.894 0 40 EDAB CC(C)NC(=O)CNC(=O)CN1CCc2sccc2[C@H]1C1CC1 7880449 NOZWMIMECSWJSZ-QGZVFWFLSA-N 335.473 1.698 0 40 EDAB CC(C)COCCCNC(=O)CCN1C(=O)c2ccccc2C1=O 7809178 YDVWKMJKTPDNNO-UHFFFAOYSA-N 332.400 1.852 0 40 EDAB CN(Cc1cccs1)C(=O)CN1CCCC[C@@H]1Cn1cncn1 71878731 OYTGXSCEWYGDCP-CQSZACIVSA-N 333.461 1.853 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCN2CCCC[C@@H]2C1 71839818 ZIRKIONLXXMEIW-OAHLLOKOSA-N 326.404 1.037 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)NCCc1cccs1 71876209 MCVXCYBXHPXCFD-CQSZACIVSA-N 333.461 1.553 0 40 EDAB COc1ccccc1CN(C)C(=O)CN1CCc2cncnc2C1 69489708 PIYNLTNJEHMGTB-UHFFFAOYSA-N 326.400 1.502 0 40 EDAB Cn1cc(CN2CCCN(C(=O)CCc3cscn3)CC2)cn1 69443496 AMEPMCZQTHJGGS-UHFFFAOYSA-N 333.461 1.544 0 40 EDAB CCc1nc(CCNC(=O)c2nc3nc(C)cc(C)n3n2)cs1 69570095 UTZFONJFBJZMOO-UHFFFAOYSA-N 330.417 1.733 0 40 EDAB Cc1ccn2ncc(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)c2n1 69565287 YRERGZUKKZWMMH-UHFFFAOYSA-N 348.359 1.437 0 40 EDAB O=C(c1ccc2c(c1)OCCCO2)N1CCN(c2ncccn2)CC1 17299264 UBNGVMBUJJJBMG-UHFFFAOYSA-N 340.383 1.600 0 40 EDAB O=[S@](CCNS(=O)(=O)N1CCCCCC1)c1ccccc1 69619946 DGFFIIJOUKLKLA-FQEVSTJZSA-N 330.475 1.505 0 40 EDAB C[C@@H]1C[S@](=O)CCN1C(=O)CCc1nc(-c2ccsc2)no1 71916601 WGOQVPQBMIIWCT-STFLBKPXSA-N 339.442 1.710 0 40 EDAB CC(C)(CNC(=O)c1ccc2cc[nH]c2c1)N1CCS(=O)CC1 71907627 HUBDTOGEUBWMAG-UHFFFAOYSA-N 333.457 1.741 0 40 EDAB Cc1cccc(N2CCC(NS(=O)(=O)c3cccnc3)CC2)n1 71909885 RRNALQUUVJFBAH-UHFFFAOYSA-N 332.429 1.732 0 40 EDAB CCN1CCN(CCNC(=O)c2cccnc2N2CCCCC2)CC1 69871888 FWCLAQXETGVJGP-UHFFFAOYSA-N 345.491 1.439 0 40 EDAB Cc1nc(NC(=O)N2CC(=O)NC(=O)C23CCCCC3)sc1C 69896716 HHSKFWFKCWMWTE-UHFFFAOYSA-N 336.417 1.953 0 40 EDAB CN(C)[C@@H]1CCCN(C(=O)CCNC(=O)OCC(F)(F)F)C1 69845017 HAPWYQALILXRAT-SNVBAGLBSA-N 325.331 1.218 0 40 EDAB CC(C)[C@@H](C(=O)N1CCCN(Cc2cscn2)CC1)n1cncn1 69841530 VRQFDDWDSATTRM-HNNXBMFYSA-N 348.476 1.666 0 40 EDAB CN(C[C@@H]1CCC[C@H]1O)C(=O)Cc1ccc(N2CCCC2=O)cc1 95438524 YOBCQFULSTWYBH-DOTOQJQBSA-N 330.428 1.975 0 40 EDAB CC[C@H]1CN(Cc2cc(=O)n3cccc(C)c3n2)CCN1CCOC 69951396 NAAHYNNFWFFLLD-KRWDZBQOSA-N 344.459 1.546 0 40 EDAB OCCn1cc(CN2CCN(CCOc3ccccc3F)CC2)cn1 69950508 WBYLKCOYOOEPIP-UHFFFAOYSA-N 348.422 1.211 0 40 EDAB C[C@H]1[C@@H](C)N(C(=O)Nc2ccccc2SCC(N)=O)CCN1C 95467051 TZSGVNRPYMKGBE-NWDGAFQWSA-N 336.461 1.820 0 40 EDAB CN1CCN(c2cccc(Cl)c2CNC(=O)Cc2ccon2)CC1 95405633 BELMVQVGLNFZRE-UHFFFAOYSA-N 348.834 1.939 0 40 EDAB CSc1nc2nc(C)c(CC(=O)NCc3ccco3)c(C)n2n1 8941944 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Cc1cc(C(=O)NC[C@H]2CCCN([C@@H](C)c3nnnn3C)C2)ns1 1023341004 SZHTXEZUSNSEFQ-NWDGAFQWSA-N 349.464 1.178 0 40 EDAB O=C1COc2ccc(C(=O)C3CCN(C(=O)C4CC4)CC3)cc2N1 71486504 GTXXHCYXFRUZLQ-UHFFFAOYSA-N 328.368 1.849 0 40 EDAB Cc1cc(C)n(-c2cncc(N3CCC(C(=O)NC4CC4)CC3)n2)n1 78979716 AGEDQDBNOSJLEU-UHFFFAOYSA-N 340.431 1.774 0 40 EDAB CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1c(C)nn(C)c1C 36615247 COVCLWOFQQJTPZ-UHFFFAOYSA-N 345.856 1.727 0 40 EDAB COc1c(C(=O)NCCCn2cnc3ccccc32)c(C)nn1C 78998544 LWPRAMYKJFNXBT-UHFFFAOYSA-N 327.388 1.907 0 40 EDAB COC(=O)C1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 44914692 KLUXJBUUNKTYTK-UHFFFAOYSA-N 327.384 1.957 0 40 EDAB CNC(=O)CCc1cc(C)nc([C@H]2CCCN(c3ncccn3)C2)n1 72367011 OTSGIJXPRIUJKY-AWEZNQCLSA-N 340.431 1.638 0 40 EDAB Cc1ccc2nnc(C(=O)N3CCN(c4ccccn4)CC3)nc2c1 46088597 LCVFMPNZVGQOKQ-UHFFFAOYSA-N 334.383 1.691 0 40 EDAB COc1ccc([C@@H](CC(=O)NCC(C)C)NS(C)(=O)=O)cc1 225954480 XLYLIQZIMJADQU-CQSZACIVSA-N 328.434 1.448 0 40 EDAB O=C(c1cnccn1)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 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340.401 1.204 0 40 EDAB COc1cncnc1NC(=O)c1ccc(CN2CCOCC2)cc1 1615053611 IPRLAQKSRGKMFX-UHFFFAOYSA-N 328.372 1.570 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2cnc(NCCCO)c(Cl)c2)C[C@@H]1C 1615045896 GLFZALKEYNCNSE-PHIMTYICSA-N 347.868 1.806 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ccncc3CO)CC2)C1 1615057260 ZRCIYJTWTUFPMP-HOTGVXAUSA-N 346.475 1.200 0 40 EDAB Cc1ccc(Cc2nc(C(=O)N[C@@H]3CC(=O)NC3=O)cs2)cc1 1615604608 AUPVAYIJLYYIJJ-LLVKDONJSA-N 329.381 1.187 0 40 EDAB CCCNC(=O)CN(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 1616025054 CZWFYETYUJDCHO-NSHDSACASA-N 332.370 1.922 0 40 EDAB O=C(c1ccccc1F)N1CCC(CNC(=O)N2CCNC2=O)CC1 96120445 WHQYLINWOZDBCA-UHFFFAOYSA-N 348.378 1.413 0 40 EDAB CCOC(=O)[C@@H](CC(C)C)N(C)S(=O)(=O)c1ccc(CN)cc1 105067867 CTWGCSOZJDTKAN-OAHLLOKOSA-N 342.461 1.744 0 40 EDAB C[C@@]12CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@H]1C2(F)F 292927724 SULHDPUVIZLJCD-DGCLKSJQSA-N 330.356 1.451 0 40 EDAB CCN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1COC[C@@H](O)[C@H]1O 585286038 HXRLUPZXPNYFKD-LMMKCTJWSA-N 329.396 1.351 0 40 EDAB CCOCC(=O)N[C@H]1CCCN(C(C)=O)[C@H]1Cc1cccc(F)c1 585281080 SOLSEZVUSZWCMP-IRXDYDNUSA-N 336.407 1.900 0 40 EDAB Cc1ccccc1OC[C@]1(O)COCCN(C(=O)c2ccncc2)C1 585277350 VAJYVFIGVIXMKM-LJQANCHMSA-N 342.395 1.673 0 40 EDAB COCCC(=O)N[C@@H](C(=O)O)c1c(C)nn(-c2ccc(F)cc2)c1C 585134235 JGKHUCBWFQSWEX-MRXNPFEDSA-N 349.362 1.907 0 40 EDAB COCCNC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)CCC(C)C)CC2 585096316 HWXCEAAYEIETDY-CYBMUJFWSA-N 336.436 1.599 0 40 EDAB CCN(C(=O)CN1CCN(CCO)CC1)[C@H](C)c1ccc(F)cc1 69896363 WHKVAXVSIGPZPM-OAHLLOKOSA-N 337.439 1.345 0 40 EDAB C[C@H](C(=O)N1CCC2(CCC2)S(=O)(=O)CC1)c1cnn(C)c1 1550816138 QVZFJSCAUXDHEQ-LBPRGKRZSA-N 325.434 1.093 0 40 EDAB COC(=O)c1cccc(NS(=O)(=O)c2ncn(C)c2Cl)c1O 69617230 VRHKGFZZRSYYTL-UHFFFAOYSA-N 345.764 1.367 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 44356752 XDABBQUISINSDQ-SNVBAGLBSA-N 329.447 1.384 0 40 EDAB CC(C)(C)C(=O)NCCC(=O)N1CCC(OC[C@H]2CCCO2)CC1 81651568 NMQLRNLKSWJMHA-OAHLLOKOSA-N 340.464 1.725 0 40 EDAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1ncnc2c1cnn2C 78787866 XBRSXNZAHSYFSX-KGLIPLIRSA-N 328.420 1.733 0 40 EDAB O=C(NCCCn1cccnc1=O)[C@@H]1Cc2cc(Cl)ccc2O1 552265190 NGIWOVZMDAIVHS-AWEZNQCLSA-N 333.775 1.407 0 40 EDAB Cn1nc(C(=O)N[C@@H](c2ccncc2)c2cccs2)ccc1=O 19288506 CIWNTYYYBNEDGR-HNNXBMFYSA-N 326.381 1.756 0 40 EDAB C/C(=C/CNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C)CO 5502591 FZKFXYCZGZCKHA-XGICHPGQSA-N 347.419 1.909 0 40 EDAB CCCc1cc(C(=O)N2C[C@@H](NC(C)=O)CC23CCNCC3)no1 19704044 DEPQLDZRLLJYJG-ZDUSSCGKSA-N 334.420 1.100 0 40 EDAB COc1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2)cc1 1943608 VHOLPBMCGPPKEI-UHFFFAOYSA-N 342.351 1.607 0 40 EDAB COc1ccnc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)n1 1888853474 JLJQYSVWUDPEOF-ZIAGYGMSSA-N 338.367 1.107 0 40 EDAB Cn1cnc2c(N3CCN(c4cnc5ccccc5n4)CC3)ncnc21 1888922024 JHIJEBNIRVYEHI-UHFFFAOYSA-N 346.398 1.633 0 40 EDAB c1csc([C@@H](CNc2ccc3nnnn3n2)N2CCOCC2)c1 14728821 NFOKTUCCULZHGU-LLVKDONJSA-N 331.405 1.066 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CC(=O)NCc3ccccc3)CC2)n1 27812925 DALBUZCMHFCEKY-CQSZACIVSA-N 343.431 1.373 0 40 EDAB CC(=O)N1CCC(C(=O)N[C@@H](Cn2nccn2)c2ccccc2)CC1 244933104 CBMGEWYSOJNBOH-KRWDZBQOSA-N 341.415 1.394 0 40 EDAB COc1cnc(C(=O)N2CCC3(CC2)CC(NC(=O)N(C)C)C3)nc1 1565545991 TUPQYBRALBMKNV-UHFFFAOYSA-N 347.419 1.141 0 40 EDAB Cn1cc(N2C[C@@]3(CCN(C(=O)C4CC(F)(F)C4)C3)CC2=O)cn1 1565550200 UICZBBVRAHNJCH-HNNXBMFYSA-N 338.358 1.421 0 40 EDAB CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@H]1c1ccc(OCC)cc1 34912 RTHGUBBFBMTXGH-INIZCTEOSA-N 348.399 1.981 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(Cc2ccc(OC)cc2)C1 2055772265 PRKKDEJEZBWXKB-GOSISDBHSA-N 328.416 1.629 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)N1CC[C@@H](N2C(=O)CSC2=O)C1 217787373 FIISPLKYSZUEGQ-SNVBAGLBSA-N 349.368 1.717 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N1CC(OCC(F)(F)F)C1 390831185 QHZXXAKXSPRNGE-UHFFFAOYSA-N 343.298 1.786 0 40 EDAB O=C(NCc1ccccc1)C(=O)NC[C@H](OCCO)c1ccsc1 575621815 VACLFQQGMANQJF-HNNXBMFYSA-N 348.424 1.231 0 40 EDAB COCCn1nc(C(=O)N[C@H](C)CCc2ccccc2)ccc1=O 30057004 PJQSWTHQOLEIIJ-CQSZACIVSA-N 329.400 1.641 0 40 EDAB COc1ccccc1OCCNC(=O)[C@H]1Cc2ccccc2C(=O)O1 40460934 ORLRUUYIJMCYBI-QGZVFWFLSA-N 341.363 1.972 0 40 EDAB Cc1cc(C(=O)CCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)s1 31610794 YBDLHGFYHRYHDF-GFCCVEGCSA-N 343.470 1.973 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@H]1CCCc2c1cnn2C 31662130 FGSMKYBPOPDHSK-KBPBESRZSA-N 328.420 1.908 0 40 EDAB O=C(Cc1csc(-c2cccnc2)n1)NCCCN1CCOCC1 31868172 JHFUIMAVYNROLV-UHFFFAOYSA-N 346.456 1.586 0 40 EDAB CC(C)COc1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)cc1 40527165 SUWQNMMJOMRALT-OAHLLOKOSA-N 340.445 1.668 0 40 EDAB C[C@@H]1NC(C(=O)NCCc2cccnc2)=NN(c2ccccc2)C1=O 40516606 GDCRSZUQMXGKIL-ZDUSSCGKSA-N 337.383 1.079 0 40 EDAB CCN1CCC[C@H]1CNC(=O)CCc1nc(-c2cccnc2)no1 40510995 HUZKVASBHJXXAL-AWEZNQCLSA-N 329.404 1.665 0 40 EDAB CN1CCc2c(n(C[C@@H](O)CN3CCCC3)c3ccccc23)C1=O 202099 NFZZSFGXDYIPHZ-AWEZNQCLSA-N 327.428 1.726 0 40 EDAB biogenic CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)O 21155673 WLGHDDVTXVNQQG-UHFFFAOYSA-N 340.405 1.327 0 40 EDAB CN(C)CCn1ccc(NC(=O)C2CCN(c3cnccn3)CC2)n1 102247592 SXRROSRPKQWCKI-UHFFFAOYSA-N 343.435 1.090 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCc3ccoc3)c(C)c12 53039917 MHZXACGOBYMUER-UHFFFAOYSA-N 328.372 1.720 0 40 EDAB CC[C@@H]1Oc2ccccc2N(CC(=O)NCc2cccnc2)C1=O 218929 KZBTXCWFEJYEIJ-HNNXBMFYSA-N 325.368 1.902 0 40 EDAB CC(C)COc1ccc(-c2nnn(CC(=O)N3CCCC3)n2)cc1 418507 QNAQKCMWKAJRBE-UHFFFAOYSA-N 329.404 1.997 0 40 EDAB Cc1cccn2cc(CC(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)nc12 78789589 LRTOHVYXSAHABR-IAGOWNOFSA-N 342.443 1.243 0 40 EDAB CN(C)C(=O)c1cccc(NC(=O)Cn2c(=O)[nH]c3ccccc32)c1 78744248 AFVXODZMACQDNM-UHFFFAOYSA-N 338.367 1.670 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCO[C@H](CNc3cccnn3)C2)C1 78894144 HMNVYHMIIQXEHH-OWCLPIDISA-N 347.463 1.094 0 40 EDAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)[nH]1 23451733 XLBWUXWSJHVPIL-CHWSQXEVSA-N 346.383 1.533 0 40 EDAB Cc1ccc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cn1 23460636 MJEYBSHEHQQBQA-UHFFFAOYSA-N 330.388 1.375 0 40 EDAB C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)NC(N)=O 3522823 QEFOYRDIUCCUKF-SECBINFHSA-N 342.384 1.491 0 40 EDAB NC(=O)c1cc(-c2csc(NC(=O)CCCn3cncn3)n2)c[nH]1 47827445 XIDJZUVEFOMNOP-UHFFFAOYSA-N 345.388 1.248 0 40 EDAB Cn1cc(CCNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cn1 42729248 ODPAIQXNRXMJLE-UHFFFAOYSA-N 336.436 1.726 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@H](C(N)=O)c1ccccc1 54888146 JZRWVMDVTRQBBK-UVBJJODRSA-N 326.352 1.558 0 40 EDAB COCCNC(=S)N1[C@H]2CCC[C@@H]1CC(NC(=O)C1CC1)C2 4888322 CPPZKXRJXKZLEP-AGUYFDCRSA-N 325.478 1.419 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCCN(c3cccnn3)CC2)C1 105798771 HZFQPWQPFVNFHL-HOTGVXAUSA-N 331.464 1.493 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCC2)cc1 6266936 BAHXQWMGXYHODK-LLVKDONJSA-N 326.418 1.421 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 6477952 AEYNELLGWNZLRT-PASDCYSWSA-N 341.363 1.680 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 106545463 QIJAINXJROOIEJ-NSHDSACASA-N 331.351 1.041 0 40 EDAB Cc1ccccc1CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 43478701 XTEJZQUZJSBUDB-HNNXBMFYSA-N 339.461 1.261 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1 106906551 ZTVCHDNQDKCPCA-PMPSAXMXSA-N 349.475 1.087 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2OC)CC1 8500017 XRPGDUHIGCBDSA-CYBMUJFWSA-N 336.388 1.763 0 40 EDAB CC(=O)N1CCCN([C@H]2CN(Cc3cnc(C)cn3)C[C@H]2C)CC1 107142022 PNCGPSRGGXTBEF-KDOFPFPSSA-N 331.464 1.160 0 40 EDAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@@H](CCO)C1 107592170 ATBWBKQAKFJVSZ-ZWKOTPCHSA-N 332.444 1.508 0 40 EDAB O=C1CN(CC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)C(=O)N1 95395193 PZQVSAHQYDUSAW-UHFFFAOYSA-N 349.350 1.492 0 40 EDAB CCc1c(COC)nc(N2CCN(c3ccccn3)CC2)[nH]c1=O 22448456 RPIRQLMQGPPDRG-UHFFFAOYSA-N 329.404 1.200 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2[C@H](CCN2Cc2nccs2)O1 107198213 QYCNYKUFGXEPFU-SOUVJXGZSA-N 344.440 1.586 0 40 EDAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCN(C2CC2)C1 57553537 PBNRPWSXWNPDFT-CYBMUJFWSA-N 340.427 1.599 0 40 EDAB CCOC(=O)CN(CCOC)CC(=O)Nc1ccc(Cl)cn1 58213996 NBVOLCZAIHLYAX-UHFFFAOYSA-N 329.784 1.185 0 40 EDAB O=C(NC[C@H](O)CN1CCCC1=O)Nc1ccccc1C(F)(F)F 58245236 NCYPCQNPLLFKCM-JTQLQIEISA-N 345.321 1.810 0 40 EDAB NS(=O)(=O)N1CCC(C(=O)Nc2cccc(OC(F)F)c2)CC1 58266465 UXOZVMKTHIWQLT-UHFFFAOYSA-N 349.359 1.142 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)N1CCC[C@@H](C(N)=O)C1)CO2 44948863 BBYRCWLJPILYHI-GFCCVEGCSA-N 330.384 1.585 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)Nc1cccnc1-n1cccn1 48194106 XUJBSWMTERODIN-ZDUSSCGKSA-N 330.392 1.110 0 40 EDAB CN(C)c1cccc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 58342135 PELSWBWSSHYLNP-AWEZNQCLSA-N 339.461 1.040 0 40 EDAB CCOCCCNC(=O)[C@H]1CCC[C@H](C(=O)NCCCOCC)C1 58377547 FYCZQIURXWVHRU-HOTGVXAUSA-N 342.480 1.878 0 40 EDAB COc1ccccc1[C@H](C)N(C)C(=O)NCCCNS(C)(=O)=O 48287161 VLPDFVBLPNKKKO-LBPRGKRZSA-N 343.449 1.337 0 40 EDAB O=C1CCc2cc(C(=O)OCc3nnnn3-c3ccccc3)ccc2N1 12774401 QHDOKYPXLFBXLS-UHFFFAOYSA-N 349.350 1.904 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1[nH]ncc1Br 102737197 GQHNVUSDBORATL-MFDQJXRNSA-N 342.193 1.490 0 40 EDAB Cc1nc(C2(NC(=O)CCN3C(=O)CCC3=O)CCCCC2)no1 28617261 INUMWHVKBNDUJM-UHFFFAOYSA-N 334.376 1.193 0 40 EDAB CC(C)(C)c1ccc(CCNC(=O)CS(=O)(=O)c2ncc[nH]2)cc1 84284384 UAHHNUCDYUNMHI-UHFFFAOYSA-N 349.456 1.840 0 40 EDAB COC[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 27468290 NXZOBMJIIRNGNY-ZDUSSCGKSA-N 328.434 1.123 0 40 EDAB CN(C)c1ccc(C(=O)OCC(=O)NC(=O)c2cccn2C)cc1 3526356 GQYDKSOIWDAQEW-UHFFFAOYSA-N 329.356 1.205 0 40 EDAB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc2ncsc2c1 3531775 LAQVKOXXWOVQKJ-UHFFFAOYSA-N 343.364 1.748 0 40 EDAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c(OCC)c1 408549592 VJHYKVCZHCEDPP-MDWZMJQESA-N 348.355 1.550 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)Cc1noc2ccccc12 48963687 SYASSSXEVZVBKA-UHFFFAOYSA-N 339.417 1.158 0 40 EDAB COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 96000018 MZBYSAVVYLSDNK-OAHLLOKOSA-N 340.445 1.199 0 40 EDAB COCCn1cc2c(n1)[C@H](NS(=O)(=O)c1ccccc1)CCC2 96002774 LUJWMLJNLLXGRC-OAHLLOKOSA-N 335.429 1.885 0 40 EDAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OC)cc1OC 4111545 GZWWMWCQJFFGBB-CYBMUJFWSA-N 331.332 1.152 0 40 EDAB C/C(NN1CCN(C)CC1)=C1/C(=O)N(c2ccccc2)C(=O)N=C1O 13607527 ODUIZBSHOXYNFX-OWBHPGMISA-N 343.387 1.136 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2F)c1=O 5000085 OQSCJVDPVRLEFX-UHFFFAOYSA-N 327.315 1.478 0 40 EDAB O=C(Nc1cccnc1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62022681 BZBOCZFCCMLYOG-UHFFFAOYSA-N 349.398 1.912 0 40 EDAB CN1CCN(c2nc(NCc3ccccc3)c3cnn(C)c3n2)CC1 4374957 PBUTWVAVASPCRN-UHFFFAOYSA-N 337.431 1.727 0 40 EDAB COc1ccc(NC(=O)COCC(=O)Nc2cccnc2)c(OC)c1 13942223 SKDCZIMBNONJMW-UHFFFAOYSA-N 345.355 1.693 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCN(C)C3CC3)CC2=O)cc1F 65404118 HCXMGFKSSYSUCM-ZDUSSCGKSA-N 333.407 1.697 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C 65562778 ULPDZVKXPUDVRI-VXGBXAGGSA-N 343.493 1.355 0 40 EDAB CCCOCC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 65578949 XZECNNQRTWFMAS-UHFFFAOYSA-N 330.388 1.274 0 40 EDAB Cc1ccc(-c2nnc(CN3CCc4nn(C)c(=O)cc4C3)o2)cc1 72302367 NIGBFSOYSHLYND-UHFFFAOYSA-N 337.383 1.697 0 40 EDAB CCOC(=O)C1CCN(Cn2nnc(-c3ccc(C)cc3)n2)CC1 14171006 CQBUVMNULFPLNE-UHFFFAOYSA-N 329.404 1.881 0 40 EDAB Cn1ncc2c(N3CCC(c4nnc5ccccn45)CC3)ncnc21 14268445 CSDARCUBHIOYFG-UHFFFAOYSA-N 334.387 1.790 0 40 EDAB Cc1[nH]c(SCC(=O)N2CCNC2=O)nc1Cc1ccccc1 6582818 RFRTZKQVPVGRBL-UHFFFAOYSA-N 330.413 1.953 0 40 EDAB O=C1CN(C(=O)CNC(=O)c2cc(Cl)ccn2)c2ccccc2N1 14851827 CGTLXECEIFXMKK-UHFFFAOYSA-N 344.758 1.450 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)OCc1c(Cl)cccc1Cl 6940455 AFXHSSFZELUBGC-UHFFFAOYSA-N 329.139 1.587 0 40 EDAB Cc1cccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1C 67556064 ZAUHNICULGQVLR-CYBMUJFWSA-N 325.434 1.849 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(c2ncccn2)CC1 7376255 JNQGQRGUMMBFLK-UHFFFAOYSA-N 344.440 1.476 0 40 EDAB Cc1n[nH]c2ncc(C(=O)NCCCN3C[C@H](C)O[C@H](C)C3)cc12 68031463 LBKROTVVCPCDEQ-TXEJJXNPSA-N 331.420 1.495 0 40 EDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(N)s1 7536085 OUSJFLMWSUZBBU-LLVKDONJSA-N 336.442 1.529 0 40 EDAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N2CCNC2=O)c1 7718588 AAGCWWANYFUVGH-AWEZNQCLSA-N 333.388 1.393 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cccc(F)c2F)CC1 70007086 NLLULOLIQNIMCA-LBPRGKRZSA-N 328.359 1.120 0 40 EDAB CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCCCOCc1ccco1 70038304 LKYINWIVFOKNRS-GXTWGEPZSA-N 346.449 1.266 0 40 EDAB Cc1nn2c(=O)cc(CN3CCC[C@H]3Cn3cccn3)nc2s1 70040133 CZTKDUBQRNWYNU-ZDUSSCGKSA-N 330.417 1.321 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 71833111 QVUBSZPKTIIOSZ-CQSZACIVSA-N 336.823 1.395 0 40 EDAB O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCc2ccccc21 8328105 IFBDDBVXBHBNCH-CYBMUJFWSA-N 345.428 1.534 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)Nc1ccc(Cl)cn1 71876223 YHOQRQIQDVEJAO-CYBMUJFWSA-N 334.811 1.820 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(-c2nnco2)c1 69491568 OSQZVSNMMSTOKP-LLVKDONJSA-N 329.360 1.869 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)o3)CC2)c(O)c1 69484078 CXRNPTXFTUTGCP-UHFFFAOYSA-N 344.367 1.900 0 40 EDAB CC1CCN(C[C@H](O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 71825009 NCTANOVBUYBIBA-RLFYNMQTSA-N 337.464 1.580 0 40 EDAB O=C(c1cc(-c2ccco2)on1)N1CCC(N2CCNC2=O)CC1 71821361 IABRJMOOCBVYKL-UHFFFAOYSA-N 330.344 1.564 0 40 EDAB CCO[C@H]1CCCN(C(=O)NCCC(=O)NCc2ccncc2)C1 69531344 MQQQXIMVEFQZBY-HNNXBMFYSA-N 334.420 1.298 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)Cc3csc(C)n3)CC2)n1 69512743 DLXIBYSIDLKMET-UHFFFAOYSA-N 347.444 1.532 0 40 EDAB C[C@H](NC(=O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1)C1CC1 69527534 MHFOILZVQQKEDT-XJKSGUPXSA-N 336.457 1.373 0 40 EDAB COc1cc(F)c(NC(=O)C(=O)NCCc2ccco2)cc1OC 69583986 VOFIWOHRUIXDNX-UHFFFAOYSA-N 336.319 1.733 0 40 EDAB CC1CCN(C[C@@H](O)CN[C@@H]2CCCN(c3cccnn3)C2)CC1 71876879 VXGVIFHGWRVZIO-SJORKVTESA-N 333.480 1.128 0 40 EDAB CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(C)cc2C)CC1 69632937 YDCUKTXEAIUDNU-UHFFFAOYSA-N 331.416 1.114 0 40 EDAB CCOCCN1CCN(CC(=O)NCc2ccccc2Cl)CC1 69627173 VHDGJKNIIKLVDE-UHFFFAOYSA-N 339.867 1.610 0 40 EDAB C[C@H]1CN(S(=O)(=O)CCNCc2cccnc2Cl)C[C@H](C)O1 69699266 IJIXOZOLUWJXLR-RYUDHWBXSA-N 347.868 1.264 0 40 EDAB COCCN(C(=O)c1cnc(-c2ccccc2)nc1)[C@H](C)C(N)=O 69973219 GIPGTRZISOJMPI-GFCCVEGCSA-N 328.372 1.106 0 40 EDAB O=C1O[C@H](c2c(O)[nH]c(=O)n(-c3ccccc3)c2=O)c2ccccc21 8994124 ACTCFCZTCADEMA-AWEZNQCLSA-N 336.303 1.491 0 40 EDAB COc1ccc(C(=O)NCc2ncnn2C)cc1Br 72303795 FCUPOMIKMJYOBW-UHFFFAOYSA-N 325.166 1.516 0 40 EDAB Cn1cc(C(=O)NCCc2nnc3ccccn23)c2ccccc2c1=O 72406128 WXHKFVRFPOQBQS-UHFFFAOYSA-N 347.378 1.554 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c(=O)[nH]1 95440510 QSNRBNREBHWCRR-GDBMZVCRSA-N 343.358 1.524 0 40 EDAB Cc1cnc(CNC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)s1 95428270 BKTZOXHRHWWDFP-GXTWGEPZSA-N 349.460 1.840 0 40 EDAB CN1CCO[C@@H](CN(C(=O)COCC2CC2)c2nccs2)C1 95402100 QWOXGGUFEUJCEP-CYBMUJFWSA-N 325.434 1.233 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3C3CCCCC3)C2=O)cn1 98014613 BXKKFYCEEMDHSD-OWCLPIDISA-N 345.447 1.793 0 40 EDAB Cc1cccc(S(=O)(=O)NC[C@@H](C)N2CCN(C)CC2)c1Cl 95986765 MSKDQIZWQZBLFJ-CYBMUJFWSA-N 345.896 1.563 0 40 EDAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1nc(=O)o[nH]1 89478739 UQUAHDNSRNCIMX-ZCFIWIBFSA-N 332.143 1.753 0 40 EDAB CCCCc1nnc(NC(=O)NCCc2nnc3n2CCC3)s1 86280778 FJWFTCKQPQMCSC-UHFFFAOYSA-N 335.437 1.783 0 40 EDAB O=C(NCCCn1cccn1)N[C@H]1CCN(c2ncccc2Cl)C1 89773209 NVPIMMDDWGSZPV-ZDUSSCGKSA-N 348.838 1.900 0 40 EDAB O=C(NC[C@H](O)CN1CCCCC1)N[C@@H]1CCOc2ccccc21 89857795 HEPMKFPOSCGUOF-GOEBONIOSA-N 333.432 1.656 0 40 EDAB COc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc(OC)c1C 75606486 IVQGWIKNSIMKSM-HZPDHXFCSA-N 348.443 1.683 0 40 EDAB COc1cc(N2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)ncn1 306141236 VOZLMINXSPWEBG-FZKQIMNGSA-N 339.399 1.760 0 40 EDAB Cc1ccnc(OC[C@@H]2CN(Cc3cnn(C)c3)Cc3cncn32)n1 306124649 BVUBIUZOERMNMT-INIZCTEOSA-N 339.403 1.351 0 40 EDAB NC(=O)CN1CCC[C@@H](NC(=O)c2ccccc2-n2cccc2)C1 1008397693 DUFFIQRWBZTCBJ-CQSZACIVSA-N 326.400 1.157 0 40 EDAB O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)OC1CCCC1 78984640 STFZHIOJRDAJFI-QGZVFWFLSA-N 342.395 1.948 0 40 EDAB Cc1cccc(CN2CCN(C(=O)c3nn(C)cc3C(=O)O)CC2)c1 36615482 JKFTUCHHETYIGR-UHFFFAOYSA-N 342.399 1.385 0 40 EDAB CC1(C)C[C@@H](NC(=O)Cn2nc3c(cc2=O)CCCCC3)CCO1 72404788 JZCKBBRIJDOSJM-AWEZNQCLSA-N 333.432 1.586 0 40 EDAB CCn1cc(CC(=O)N[C@@H](C)[C@H]2CCN(C(=O)c3ccoc3)C2)nn1 1050021460 IXNGPQGSYKPTRO-STQMWFEESA-N 345.403 1.101 0 40 EDAB Cc1nc(NC(=O)NCCCn2ccnn2)ccc1Br 128487477 WGXMXNPJBVQUKX-UHFFFAOYSA-N 339.197 1.956 0 40 EDAB COc1ccc(SCC(=O)NCCCN2CCN(C)CC2)cc1 72782133 UVKWHCOBHSDIFH-UHFFFAOYSA-N 337.489 1.541 0 40 EDAB O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccno1 38589955 LCZIRYVYWLBYLM-UHFFFAOYSA-N 334.807 1.880 0 40 EDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@]1(O)CCCc2occc21 1565523587 RJCZENIRSIWSMV-IBGZPJMESA-N 346.427 1.926 0 40 EDAB Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2CO)c1 187274393 CWLBFQFUGLJZCC-LLVKDONJSA-N 334.235 1.903 0 40 EDAB O=C(CNC(=O)c1ccccc1)NC[C@H](O)c1c(F)cccc1F 77634643 GJFVMCBLCOXGRT-AWEZNQCLSA-N 334.322 1.544 0 40 EDAB O=C(CCCn1nnc2ccccc2c1=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 32103386 FNIRVJRBTJRFFY-ILXRZTDVSA-N 338.411 1.900 0 40 EDAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(C[C@@H]2CCOC2)C3)C1 72335612 JBEDGBCEBIPOIS-KBPBESRZSA-N 332.448 1.401 0 40 EDAB CN(C)c1nccc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1 606898005 RXKMIYHSSCIESG-UHFFFAOYSA-N 346.479 1.067 0 40 EDAB COCCN1CCN(Cc2nnc(Cc3ccccc3)o2)C[C@H]1C 69706893 ULWZVZKRTLHRHU-OAHLLOKOSA-N 330.432 1.813 0 40 EDAB Cc1ncc(CN2CCc3c(nc4cc(C5CC5)nn4c3O)C2)n1C 72339350 ZKEGNNJCAHNLLQ-UHFFFAOYSA-N 338.415 1.913 0 40 EDAB Cc1nc(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)cs1 78051422 XEWIVAROAJWRQH-UHFFFAOYSA-N 342.446 1.087 0 40 EDAB Cn1nc2c(cc1=O)C[C@H](NC(=O)c1cccc(-n3cccn3)c1)CC2 225787624 MYVWQHGYQVPDAD-OAHLLOKOSA-N 349.394 1.253 0 40 EDAB O=C1[C@H](NS(=O)(=O)c2ccccc2)CCN1c1ccccc1F 69737877 YBDGUOINZXUMTG-CQSZACIVSA-N 334.372 1.910 0 40 EDAB O=C(NC[C@H](C(=O)O)C1CCOCC1)c1cnccc1C(F)(F)F 568246466 OUMOSJWMLUTFDN-JTQLQIEISA-N 346.305 1.958 0 40 EDAB COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1CCCN(C(C)C)C1 63710793 FDRYAZYAVKHDGB-CABCVRRESA-N 327.469 1.994 0 40 EDAB Cc1cccc2c1cnn2CCC(=O)NCCCN1CCOCC1 40769013 YDQJKKLRXVOGBC-UHFFFAOYSA-N 330.432 1.573 0 40 EDAB O=S(=O)(c1cccs1)N1CCC[C@H](Oc2cnccn2)C1 225477125 ZABBHGKOZUCWGP-NSHDSACASA-N 325.415 1.770 0 40 EDAB CC(C)Oc1ccc(NC(=O)[C@]23C[C@@H]2CCN(C)S3(=O)=O)cc1 225953155 YMHFDCBYTONEMO-LRDDRELGSA-N 338.429 1.836 0 40 EDAB Cc1cc(C)c(N2CC[C@@H](N(C)CCS(C)(=O)=O)C2=O)c(C)c1 190510248 RXNHLRPEUZNFSK-OAHLLOKOSA-N 338.473 1.694 0 40 EDAB Cc1cc(-c2noc(CNC(=O)[C@H]3COc4ccccc4O3)n2)no1 225812541 ZDWRMCVAISHCJB-CYBMUJFWSA-N 342.311 1.489 0 40 EDAB O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1cc(-c2cccs2)n[nH]1 225786078 XAGXWHMECLBONN-JTQLQIEISA-N 341.396 1.509 0 40 EDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CCCO3)C2)n1 96217041 QZSRWNPAMKITHH-QAPCUYQASA-N 331.416 1.392 0 40 EDAB O=C(CN(C[C@H](O)c1ccc(F)cc1)C1CC1)NC1CCOCC1 96424455 ZTIYOCWKAYBBBZ-KRWDZBQOSA-N 336.407 1.619 0 40 EDAB O=C([C@@H]1CN(Cc2cccnc2)CC12CCOCC2)N1CCCC1 96052190 DGXIYPBLVMJWCR-KRWDZBQOSA-N 329.444 1.933 0 40 EDAB Cc1nc(CN2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)cs1 96062505 HPJCEZRLQUOAQH-KRWDZBQOSA-N 345.472 1.970 0 40 EDAB COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3scnc3C)C[C@H]2O1 96066085 LTJYJGJTQZPMOE-BFHYXJOUSA-N 339.461 1.194 0 40 EDAB COc1cccc(NC(=O)N2CCC(S(C)(=O)=O)CC2)c1OC 96098256 WXQJHYZDMCLJNF-UHFFFAOYSA-N 342.417 1.745 0 40 EDAB CN(C)C(=O)COC[C@@H]1CC2(CCN(Cc3ccoc3)CC2)CO1 96105944 CYQCOPUUQLGDHQ-INIZCTEOSA-N 336.432 1.756 0 40 EDAB COc1cc(N2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2cccs2)ncn1 96184792 DMYDKRQDMMCMOS-UONOGXRCSA-N 344.440 1.969 0 40 EDAB CN(C[C@@H](O)C(F)(F)F)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 97378166 ZWTRWRKVWYPHFA-VXGBXAGGSA-N 330.306 1.169 0 40 EDAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)c1 96410784 MICJCESFIQDKBQ-INIZCTEOSA-N 343.431 1.395 0 40 EDAB COCCNC(=O)[C@@H]1CN(Cc2scnc2C)C[C@H]2OCC[C@H]21 96038860 YGOGJRPLWXBAOZ-BFHYXJOUSA-N 339.461 1.051 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccoc2)C1 96083207 YVGGLYLWUSYLPT-NUEKZKHPSA-N 341.367 1.933 0 40 EDAB Fc1ccc(Cn2cnc([C@@H]3COCCN3)n2)cc1Br 580887712 IMTOPPPWOQIWTB-LBPRGKRZSA-N 341.184 1.889 0 40 EDAB COCCn1ccc(C(=O)N[C@H]2CC[C@H](C(F)(F)F)N(C)C2)n1 583619691 IXMMNUGZLDFITG-CMPLNLGQSA-N 334.342 1.284 0 40 EDAB CCCS(=O)(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O 85467485 RNAHRSQQTBZSTG-OAHLLOKOSA-N 342.436 1.689 0 40 EDAB O=C(c1ccncn1)N1Cc2cncn2C[C@@H](COCC2CCC2)C1 96207822 DGHHEFOMOBQCAV-HNNXBMFYSA-N 341.415 1.762 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)CO[C@@H](COCc1ccccn1)C2 96106188 BIRBZHMIFHHTTG-OAHLLOKOSA-N 340.445 1.429 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 96038682 JYCHKTPNXKGKEA-SJLPKXTDSA-N 333.432 1.799 0 40 EDAB Cc1cc(C(=O)N2CCc3ncc(Cn4cccn4)n3CC2)no1 96067913 FXXLYCXEEUPAKR-UHFFFAOYSA-N 326.360 1.123 0 40 EDAB CC(C)C[C@H](O)CNC(=O)c1cncc(I)c1 95441324 KOWPYGINXLGHSC-NSHDSACASA-N 348.184 1.823 0 40 EDAB O=C(O)[C@]1(CO)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 242728118 YTXLMGAZTPAPGW-BFYDXBDKSA-N 332.377 1.690 0 40 EDAB O=C(c1ccc(-n2ccnc2)nc1)N1CC[C@H](O)[C@]2(CCCO2)C1 257245446 IPOFOLPERHCXID-YOEHRIQHSA-N 328.372 1.023 0 40 EDAB CCc1nccn1CC(=O)NCc1cnc([C@H]2CCCCO2)nc1 257262484 LLOBZGUZOROLCF-CQSZACIVSA-N 329.404 1.794 0 40 EDAB CN(C[C@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1cccnn1 257215043 COJZMUVODFXUHV-QGZVFWFLSA-N 345.378 1.114 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3c(c2)OCCO3)n1 257247338 IYNQCRQWKGFFFT-CYBMUJFWSA-N 329.356 1.703 0 40 EDAB COc1ccc2c(O)nc(C3CCN([C@H]4COC[C@H]4O)CC3)cc2c1 257226541 FLBDQUMSDGBUNX-ZWKOTPCHSA-N 344.411 1.888 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)n1cc(COc2ccccc2)nn1 257173554 QQFPBKLNGNZZKD-CJNGLKHVSA-N 330.388 1.713 0 40 EDAB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5O)N3[C@H]1O 253389062 CJDRUOGAGYHKKD-XMTJACRCSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro Cc1nc2ccccn2c1CC(=O)N1CC[C@@](O)(CN2CCCC2)C1 257204210 ATNMXHGRPIJLPQ-LJQANCHMSA-N 342.443 1.244 0 40 EDAB CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1O 257295868 RAFGZLGMGBEPDC-QZTJIDSGSA-N 325.412 1.789 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(N)COC 252514840 FBPFMGPDSCKGRH-JHJVBQTASA-N 348.262 1.694 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(c3nc(C)cc(C)n3)CC[C@H]21 257311757 UKVXTEPEUOZBSF-JKSUJKDBSA-N 332.448 1.947 0 40 EDAB CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNc1cccc(C(=O)O)n1 263431821 TVBFROAMXDIWGA-MNOVXSKESA-N 327.406 1.300 0 40 EDAB C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccnn1CCc1ccccc1 621243217 PPBBUIWCQLVRIL-GFCCVEGCSA-N 337.401 1.219 0 40 EDAB COCc1ncc(C(=O)N(C)C[C@]2(O)CCc3ccccc32)c(N)n1 1615046641 RXOZQMFQWHTROB-GOSISDBHSA-N 342.399 1.111 0 40 EDAB COc1ccc(/C=C/C(=O)NCc2nccc(N(C)C)n2)cc1OC 96121018 QAMSAWMBZHLUEE-SOFGYWHQSA-N 342.399 1.889 0 40 EDAB COc1ccnc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1 575616778 MOPKZGVUORPWRQ-UHFFFAOYSA-N 340.309 1.621 0 40 EDAB O[C@@]1(COc2cccc(F)c2)COCCN(Cc2cncnc2)C1 585269019 HVPIJYSHPJSSIS-QGZVFWFLSA-N 333.363 1.258 0 40 EDAB CC1(C)C[C@]2(CCCN2C(=O)COc2ccccc2)[C@H](CC(N)=O)O1 585287739 DDAKUUALSWUWTF-HNAYVOBHSA-N 346.427 1.870 0 40 EDAB Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cn1 585141724 XIZNWJNWIXPYMR-OAHLLOKOSA-N 332.448 1.691 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1 585141096 PKNWCTCZGHBJOR-FUHWJXTLSA-N 332.444 1.996 0 40 EDAB O=C(CCc1cc(O)no1)N1CC[C@H](O)[C@H](Cc2ccccc2F)C1 585276164 KOVQWOQWWPLZJS-CJNGLKHVSA-N 348.374 1.904 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@@H](c3noc(CC)n3)C2)ccc1=O 67887614 CBFMYPYPAVFXFV-GFCCVEGCSA-N 345.403 1.619 0 40 EDAB CNC(=O)C1(C(=O)NCC2(c3ccccc3)CCOCC2)CCC1 69626109 VHGJFFGRNBHDIJ-UHFFFAOYSA-N 330.428 1.767 0 40 EDAB COC1CCN(C(=O)c2nc(N3CCOCC3)ncc2Cl)CC1 44399328 JYWABMBJYKRDDN-UHFFFAOYSA-N 340.811 1.218 0 40 EDAB COCCN1C[C@@H](C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1=O 45308812 RUUUINUYOZIREX-LSDHHAIUSA-N 349.431 1.028 0 40 EDAB COc1cc(N2CCN(C(=O)CCC(F)(F)F)CC2=O)ccn1 1776008099 YPDKWWCRWAXUIO-UHFFFAOYSA-N 331.294 1.608 0 40 EDAB CC(=O)N1CCC(NC(=O)NCc2ccc(N3CCCC3)nc2)CC1 48154453 GDIVYVIRNUXXTM-UHFFFAOYSA-N 345.447 1.492 0 40 EDAB CCOC(=O)c1sc2[nH]c([C@@H](C)NCCOC)nc(=O)c2c1C 49552997 GWWWBMPDHIABAA-SECBINFHSA-N 339.417 1.767 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3ncccn3)CC2)[C@@H]1C 54530907 MPZNXFDZNIJWCM-OAGGEKHMSA-N 331.464 1.540 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCCNC(=O)Cc2cccc(F)c2)c1 58267623 NUWWAZVJEVAMDV-UHFFFAOYSA-N 331.347 1.445 0 40 EDAB C[C@@H]1c2cccn2CCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 58250944 ODDUNSSFRDSNHI-VXGBXAGGSA-N 328.459 1.312 0 40 EDAB C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](c1cc2ccccc2o1)C1CC1 73566565 JQFUZLPPZWWKOG-ZUZCIYMTSA-N 336.413 1.938 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 56099600 BUMMNQHKCZYDSG-ZIAGYGMSSA-N 339.465 1.012 0 40 EDAB O=C(C[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 85482901 GWGMUSDXAHDTDD-GJZGRUSLSA-N 335.425 1.685 0 40 EDAB CCCS(=O)(=O)N[C@@H](C)C(=O)NCC(C)(C)c1ccccc1 42494534 GEFPIAJABXBBAZ-ZDUSSCGKSA-N 326.462 1.798 0 40 EDAB O=C(CCNCc1ccsc1)N1CCN(c2ncccn2)CC1 96403168 RXSLSXHWNTVMHF-UHFFFAOYSA-N 331.445 1.367 0 40 EDAB Cn1cnnc1[C@H]1CN(C(=O)N[C@@H]2CCCc3occc32)CCO1 583623929 QHVZWJVDTCPEAH-TZMCWYRMSA-N 331.376 1.569 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 583616266 ARAIVNVKJSFVPZ-MJBXVCDLSA-N 343.449 1.015 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@@H](Oc2ncccc2Br)C1 238955984 XYLJFAQPIBDXHC-SECBINFHSA-N 347.234 1.789 0 40 EDAB O=C(CSC(=S)N1CCOCC1)NC(=O)Nc1ccccc1 5603961 KBVNQOUEEVLHET-UHFFFAOYSA-N 339.442 1.685 0 40 EDAB NC(=O)[C@H]1CCCCN1CC(=O)Nc1ccc(OC(F)(F)F)cc1 12699249 SKECWWQQQSBBJF-GFCCVEGCSA-N 345.321 1.864 0 40 EDAB O=C(c1ccccn1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 13267779 IDHKUHRXCLHDLI-UHFFFAOYSA-N 334.339 1.233 0 40 EDAB CC(C)(C)c1nc2ccccc2c2nn(CC(=O)NC3CC3)c(=O)n12 19084700 UIXVFTRKBIBMMF-UHFFFAOYSA-N 339.399 1.620 0 40 EDAB CC[C@@]1(C(=O)OC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19500718 ZGXVQNNROBNADB-NEULZYRMSA-N 334.347 1.023 0 40 EDAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1ccc(F)c(Cl)c1 643586294 VVFXOJMDKJHNSC-DFBGVHRSSA-N 345.798 1.700 0 40 EDAB NC(=O)[C@H]1CNCCN1C(=O)c1cccc(Oc2ccccc2)c1 1848353570 GSVBQTIUBWCMKJ-MRXNPFEDSA-N 325.368 1.378 0 40 EDAB Cn1nc2c(c1CN1CCC(COc3cnccn3)CC1)CCC2 1849250152 GJEAFDUWULLWLV-UHFFFAOYSA-N 327.432 1.990 0 40 EDAB COCc1nsc(N2CCN(c3nc(O)cc(C4CC4)n3)CC2)n1 1888864105 OKRQVQSOYKLJRB-UHFFFAOYSA-N 348.432 1.384 0 40 EDAB Cn1cc(N2C[C@]3(CCCN(Cc4cccnc4)C3)C2=O)ccc1=O 1615062644 JGGPKJQQKHJIJX-LJQANCHMSA-N 338.411 1.409 0 40 EDAB O=C(N1CC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1)C1(F)CCC1 1565546581 HMMXTOLVGGMKAX-IUODEOHRSA-N 338.358 1.680 0 40 EDAB O=C(Cn1c(=S)[nH]c2ncccc2c1=O)NCc1ccccc1 424587 GCSMLJBJOSUFBZ-UHFFFAOYSA-N 326.381 1.770 0 40 EDAB CCc1ccc(NC(=O)CSc2nnc3[nH]c(=O)ccn23)cc1 4249788 SLPBMNAKPLIWRZ-UHFFFAOYSA-N 329.385 1.711 0 40 EDAB Cc1nc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)c2ccncc2n1 2086861253 ZLSBMROSLIEXKH-MRXNPFEDSA-N 341.415 1.551 0 40 EDAB COc1ncccc1C(=O)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O 44226035 FHVXWCGGWPAHIT-RYUDHWBXSA-N 349.412 1.827 0 40 EDAB CN(C)c1cc(N2CCC(C(=O)N3CCSCC3)CC2)ncn1 2298187946 QLBVIVHJRNPKRD-UHFFFAOYSA-N 335.477 1.334 0 40 EDAB COc1ccc(N2CCC[C@@H](C(=O)NCC3CCOCC3)C2)nn1 96232099 CEWHGYNBWDLUFL-CQSZACIVSA-N 334.420 1.244 0 40 EDAB COCC(=O)N[C@@H]1C[C@@H](c2nc(C)nn2-c2ccccc2)CC[C@H]1O 2332241644 RHOCPSCIWIWSPD-NUEKZKHPSA-N 344.415 1.335 0 40 EDAB Cc1nc(C)c(CC(=O)Nc2ccc(N3CCCC3)nc2)c(=O)[nH]1 31264845 PTEZQWJJLDDMDC-UHFFFAOYSA-N 327.388 1.563 0 40 EDAB CC(C)C(=O)N1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1 31541551 CYCPVIGVGJWRNB-UHFFFAOYSA-N 330.384 1.799 0 40 EDAB NC(=O)[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 21446970 NISHMIHPFYNRBN-XJKSGUPXSA-N 342.351 1.398 0 40 EDAB NC(=O)C1(CNC(=O)c2cc(-c3ccccc3)no2)CCOCC1 52744774 UOYMCVPDVDTRRH-UHFFFAOYSA-N 329.356 1.354 0 40 EDAB O=C(c1cnc2n(c1=O)CCS2)N1CCC[C@H](C(F)(F)F)C1 22766602 XADPXQZJCUSAMG-QMMMGPOBSA-N 333.335 1.764 0 40 EDAB COc1cc(NC(=O)CN2C(=O)N[C@H](C(C)C)C2=O)cc(OC)c1 9052217 PTRRVJPFHSENSY-CQSZACIVSA-N 335.360 1.219 0 40 EDAB CCCn1nnnc1NC(=S)NC(=O)COc1ccccc1C 569717 BQHHXFXNHSATET-UHFFFAOYSA-N 334.405 1.284 0 40 EDAB CC(=O)NCCNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 47860959 AUZAZINJGXEFIL-UHFFFAOYSA-N 326.347 1.823 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CCO2)n1 78888669 CMYPWMSLNSVPGA-JSGCOSHPSA-N 341.371 1.139 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@H]1N(C)C 78895703 HYOYJRPRYASBCB-DZGCQCFKSA-N 329.400 1.512 0 40 EDAB COCCOC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1776829 WUQFUPZPAROSFS-SNVBAGLBSA-N 336.413 1.772 0 40 EDAB NC(=O)[C@@H]1CCN(Cn2c(=O)oc3cc(Br)ccc32)C1 54544423 WBHOUXBXVDAXFG-MRVPVSSYSA-N 340.177 1.122 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@H]1CCN(Cc2cc(C)on2)C1 84117062 OYSUXAFJUWGMEA-HNNXBMFYSA-N 345.403 1.866 0 40 EDAB CCNC(=S)N(CCO)Cc1cc2cc(OCC)ccc2[nH]c1=O 4133032 GQKFHLCUMUKAAU-UHFFFAOYSA-N 349.456 1.616 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2cccnc2)NC(=S)N[C@]1(O)C(F)(F)F 4140102 RSLVVUUOPBHYPT-VDDIYKPWSA-N 349.334 1.031 0 40 EDAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[C@@H]1NC(=O)NC1=O 42815774 CPRGONZIDGNHGX-SCZZXKLOSA-N 332.385 1.414 0 40 EDAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)c1 6023977 ZOBYOZWTPULNOJ-UHFFFAOYSA-N 334.397 1.968 0 40 EDAB Cc1sc(C(=O)Oc2cccnc2)cc1S(=O)(=O)N(C)C 6679593 MUZKETZLQXMFLY-UHFFFAOYSA-N 326.399 1.921 0 40 EDAB Cn1ncc2c(NC3CCN(C(=O)c4ccco4)CC3)ncnc21 55357186 GBDGTOFJUJICMJ-UHFFFAOYSA-N 326.360 1.673 0 40 EDAB Cc1sc2nc([C@@H](C)N3CCN(CCO)CC3)[nH]c(=O)c2c1C 43305576 KYRHZLQXXOAVTC-LLVKDONJSA-N 336.461 1.272 0 40 EDAB Cc1c([C@H](C)NC(=O)c2cnn(-c3ccc(O)nn3)c2C)cnn1C 25003248 CRMVHSGECSBGPS-VIFPVBQESA-N 341.375 1.209 0 40 EDAB CCn1nc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c2ccccc2c1=O 56017167 OURAHUBUCCGYTI-RYUDHWBXSA-N 342.399 1.142 0 40 EDAB CCOC(=O)C1=C(CN2C[C@@H](C)OC(C)(C)C2)NC(=O)N[C@@H]1C 107317645 WRHXVHJLFOJCBT-GHMZBOCLSA-N 325.409 1.004 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1 3279025 SDMHWLXWDHPHFR-UHFFFAOYSA-N 349.364 1.885 0 40 EDAB CCOc1ccc(N2C(=O)[C@@H](CCSC)NC2=S)cc1CO 55180225 LYPLAGVYXNKWNC-GFCCVEGCSA-N 340.470 1.920 0 40 EDAB CCCn1nc(C(=O)NC[C@@H](c2ccsc2)N(C)C)ccc1=O 25329402 DGNAKYGZRNZIOD-AWEZNQCLSA-N 334.445 1.748 0 40 EDAB O=C(CCc1c(F)cccc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269621 FTLCGIKHGYAPNS-IRXDYDNUSA-N 338.398 1.955 0 40 EDAB CN1C(=O)C[C@@H](C(=O)Nc2ccncc2)[C@H]1c1ccc2c(c1)OCO2 95475967 DYBCSRUHJOXVRV-CXAGYDPISA-N 339.351 1.968 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1COc2ccccc2O1 48252411 RAOVSQIOMUSQGC-INIZCTEOSA-N 341.367 1.697 0 40 EDAB COC(=O)c1ccc(NCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 2068300 WAAVTYNNIBHYHR-CUFDPUGPSA-N 328.368 1.874 0 40 EDAB CCN(Cc1ccccc1)C(=O)CCn1cnc2c(cnn2C)c1=O 44894247 QAXLCJJZTBIDEH-UHFFFAOYSA-N 339.399 1.569 0 40 EDAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cc(C)ccn2)n1 27666349 BSZOIHSGUFCISR-UHFFFAOYSA-N 340.792 1.879 0 40 EDAB O=C(Cc1ccccc1)NCCNS(=O)(=O)c1cccc(F)c1 58265491 JIJFSZPDEKSONY-UHFFFAOYSA-N 336.388 1.463 0 40 EDAB CS(=O)(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)CC1 108529177 XUASOYCXUPUYTE-INIZCTEOSA-N 337.445 1.246 0 40 EDAB CC(C)N(C(=O)CN1C(=O)c2ccccc2CS1(=O)=O)C(C)C 58283323 YLQRFXBDNMYDTG-UHFFFAOYSA-N 338.429 1.618 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 58244800 GTXFUYHOQGZGSD-LLVKDONJSA-N 330.837 1.829 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)C[C@@H]4C=CCC4)CC3)ncnc21 12775408 KURVQUNYVSPJIN-CYBMUJFWSA-N 326.404 1.368 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)[C@@H]2CCOC2)CC1 58368772 GFEAOGKQUUUWMN-OAHLLOKOSA-N 345.395 1.916 0 40 EDAB C[C@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(F)c1 58403891 OZCXPIOVTVCLRO-NWDGAFQWSA-N 328.409 1.894 0 40 EDAB C[C@H](C(=O)N1CCCC1)N1CCC(C(=O)Nc2nccs2)CC1 58419923 FXENOYLUFLPGGS-GFCCVEGCSA-N 336.461 1.805 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNCc1ccc2c(c1)OCO2 58421502 IAOKLKKCTXZCHT-UHFFFAOYSA-N 344.415 1.584 0 40 EDAB CCOP(=O)(OCC)[C@H](NC(=O)Nc1ccccc1)C(N)=O 2311506 VRVCSIWGBRMKJO-LBPRGKRZSA-N 329.293 1.886 0 40 EDAB C[C@@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 48368847 QJWVZUSRXMSCBP-MWLCHTKSSA-N 332.372 1.854 0 40 EDAB COc1ccccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)N(C)C 48367055 ZNYXPMQPJCDANF-LBPRGKRZSA-N 328.434 1.476 0 40 EDAB COc1ccccc1CN1C[C@H](C(=O)N2CCCCO2)[C@H]2OCC[C@H]21 108536616 UVEPEDJRIGOZQU-LZLYRXPVSA-N 346.427 1.839 0 40 EDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCCCNC1=O 45666162 PJKLNILAXJXBHG-AWEZNQCLSA-N 347.415 1.658 0 40 EDAB O=C1C[C@@H](N2CCN(c3ccccc3Cl)CC2)C(=O)N1C1CC1 102849948 FWSHRSQUIXGNJX-OAHLLOKOSA-N 333.819 1.752 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)NCCNC(=O)C2CC2)c1C 46149932 VUERDQHCNUSYOD-UHFFFAOYSA-N 326.400 1.745 0 40 EDAB C[C@H](Nc1ccc(NC(=O)c2ccco2)cc1)C(=O)N1CCNC1=O 26987206 LGXONGDLTOEBKR-NSHDSACASA-N 342.355 1.884 0 40 EDAB CN(C)c1nc(Oc2ccc(O)nn2)nc(N2CCCCCC2)n1 27517190 BGMCFGBUTZYHQM-UHFFFAOYSA-N 331.380 1.606 0 40 EDAB O=C(NC1CC1)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 11998549 PVLXONGRTNNGLH-CQSZACIVSA-N 345.424 1.802 0 40 EDAB Cc1ccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)o1 27306279 OWGUXKBLSGEILB-UHFFFAOYSA-N 325.342 1.471 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)COc2c(C)cccc2C)CC1 23211852 XUUANIBCZWYFCE-MRXNPFEDSA-N 336.432 1.817 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCCOc2ccc(C(F)(F)F)cc2)C1 46942143 WYQMIDMOSFVMKB-JTQLQIEISA-N 345.321 1.601 0 40 EDAB CCNC(=O)NC(=O)CSc1nc2ccccc2n1CCOC 3499174 UNRPBFNGNQSZTQ-UHFFFAOYSA-N 336.417 1.621 0 40 EDAB CC[C@@]1(C)NC(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C1=O 12917190 RKXFOJKTRHTPHQ-XJKSGUPXSA-N 340.807 1.938 0 40 EDAB COc1ccc(CCNC(=O)c2ccc(-n3nnnc3C)cc2)cc1 71283914 BGQPAPFAZBNTSJ-UHFFFAOYSA-N 337.383 1.952 0 40 EDAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC)C2)cc1 48914028 WFYHARIZOGRQOA-CZUORRHYSA-N 345.443 1.700 0 40 EDAB O=C(COc1ccccc1)N1CCCN(C[C@@H](O)C(F)(F)F)CC1 97141598 HLVHWBXLLNNZPL-CQSZACIVSA-N 346.349 1.523 0 40 EDAB C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(C)CCN1CCCC1=O 72309566 HHMSUOFCDNQXQB-ZDUSSCGKSA-N 341.452 1.570 0 40 EDAB O=C1OCCN1CCN1CCN(c2ccc3ccccc3n2)CC1 72308521 WYJMTWQRJVJEAD-UHFFFAOYSA-N 326.400 1.809 0 40 EDAB O=C(OCc1nc2ccsc2c(=O)[nH]1)[C@@H]1COc2ccccc2O1 5173429 KRVYFMHQVWWBQH-LBPRGKRZSA-N 344.348 1.868 0 40 EDAB O=C1CCC(C(=O)OCCOc2cccc(Br)c2)=NN1 6224768 BSTRPIMSSWAJMD-UHFFFAOYSA-N 341.161 1.637 0 40 EDAB Cc1ccc(NC(=O)CSc2nnc(O)[nH]c2=O)c(Cl)c1 71405415 QTFRJKSKWBCCOF-UHFFFAOYSA-N 326.765 1.563 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2ccn(-c3ccccc3F)n2)C[C@@H](C)O1 65402460 MRDWHIHOAGIHST-ZIAGYGMSSA-N 346.406 1.850 0 40 EDAB Cc1cc(CNC(=O)N2CCC(NS(C)(=O)=O)CC2)ccc1F 65440703 FRDCJMILBMDIDO-UHFFFAOYSA-N 343.424 1.357 0 40 EDAB COC[C@@H](C)NC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 65423165 KAYGGBACDWHAEL-TZMCWYRMSA-N 325.409 1.295 0 40 EDAB Cc1ccccc1CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 65539614 FMCHIQIJEWWLBP-KRWDZBQOSA-N 329.444 1.478 0 40 EDAB COC(=O)C[C@@H]1NC(=O)N(CN(C)Cc2ccc(Cl)cc2)C1=O 14162714 MLFHFPBAIDUYBL-LBPRGKRZSA-N 339.779 1.213 0 40 EDAB COc1ccnc(N2CCN(C(=O)CCCn3ccnc3C)CC2)n1 65609646 RYEIFPYUBZHDNV-UHFFFAOYSA-N 344.419 1.119 0 40 EDAB COc1cc(CNc2ncn[nH]2)ccc1OCC(=O)NC(C)(C)C 6493041 ITGZDQSGYBKHOE-UHFFFAOYSA-N 333.392 1.719 0 40 EDAB CCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408602322 CXRCAJVNJNCPJZ-JTQLQIEISA-N 348.852 1.884 0 40 EDAB O=C([C@@H]1CCCCN1C(=O)c1ccnc(Cl)c1)N1CCOCC1 66484736 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337.851 1.889 0 40 EDAB Cc1cc(CNC(=O)COc2ccccc2)nc(N2CCOCC2)n1 96121288 AHDFMAQAOATQJZ-UHFFFAOYSA-N 342.399 1.317 0 40 EDAB Cc1nnc([C@@H]2COCCN2C(=O)[C@H]2Cc3cc(F)ccc3O2)o1 583623231 ZLBZAQQGBTUNPM-GXTWGEPZSA-N 333.319 1.421 0 40 EDAB O=C(NC[C@H]1OC[C@@H]2CN(Cc3ccoc3)CC[C@@H]21)c1cccnc1 96056215 UBXRAFMTRWNLCJ-OKZBNKHCSA-N 341.411 1.942 0 40 EDAB COCCN1Cc2ccccc2C2(CCN(CC(=O)N(C)C)CC2)C1 96079596 LGDZCEXADHQZHU-UHFFFAOYSA-N 345.487 1.570 0 40 EDAB COc1ccccc1C(=O)NCc1cc(C)nc(N2CCOCC2)n1 96121282 CDNBHRGXMUHFQL-UHFFFAOYSA-N 342.399 1.560 0 40 EDAB Cc1cc(-c2nnc3sc(-c4c(Cl)cnn4C)nn23)n(C)n1 95479603 KJRXGOCYSYNAFC-UHFFFAOYSA-N 334.796 1.949 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)on1 96108169 JCTLRNMHFFRJAP-XJKSGUPXSA-N 331.372 1.549 0 40 EDAB Cc1ccc(CCN2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 97094630 FWVCZHSOPSFVLP-UHFFFAOYSA-N 336.501 1.732 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1Cc2ccccc2NC(=O)[C@@H]1C 585122542 XAFMNHBUOSNJSJ-YDHLFZDLSA-N 332.400 1.940 0 40 EDAB CC(C)(C)OC(=O)N1CC(N(C(=O)[C@@H]2COCCO2)C2CC2)C1 585126966 MIXHYMVSGRZEOY-ZDUSSCGKSA-N 326.393 1.012 0 40 EDAB Cn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)c1ccncc1)C2 96198287 FVCMNSSVVHLILE-MRXNPFEDSA-N 326.400 1.981 0 40 EDAB CCn1cc(CN2CC3(CC[C@H](CN4CCOCC4)CO3)C2)cn1 249700257 XLKRLKPXTMODAW-MRXNPFEDSA-N 334.464 1.216 0 40 EDAB C[S@](=O)c1ncn(C[C@H](O)CO[C@H]2CCCc3ccccc32)n1 245339236 RJMIQIFDSYZBGJ-HMFCALDFSA-N 335.429 1.471 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 247839932 FAAAQFJCNXLINF-ZDUSSCGKSA-N 331.397 1.987 0 40 EDAB O=C(c1cc([C@H]2CNCCO2)nc2ccccc12)N1CCOCC1 257226476 FKTMUIXMRQWRJE-QGZVFWFLSA-N 327.384 1.368 0 40 EDAB CN(C)Cc1cncc([C@H]2CCCN2C(=O)CCc2ccnn2C)n1 257261197 LGDBFCVZUQBORW-QGZVFWFLSA-N 342.447 1.568 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)c3cccn3C)CC[C@H]21 257281093 ONORFWWGDSWLQB-LSDHHAIUSA-N 333.432 1.515 0 40 EDAB Cc1ccccc1C(=O)N1CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257202459 ALWKAVXMEKMENB-ROUUACIJSA-N 331.460 1.208 0 40 EDAB 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Cc1cc(CNC(=O)C(C)(C)O)ccc1I 390833128 CMKZAADRJYPFGI-UHFFFAOYSA-N 333.169 1.987 0 40 EDAB CO[C@@]1(CC(=O)N2CCCc3ccccc32)COCCN(C(C)=O)C1 585280400 HRHQTWOZOYVBNO-LJQANCHMSA-N 346.427 1.620 0 40 EDAB CC(C)n1cc(S(=O)(=O)NC[C@H](C(=O)O)c2ccccc2)cn1 583730472 RMGJIEVXOUVQMK-AWEZNQCLSA-N 337.401 1.611 0 40 EDAB CO[C@@H]1[C@H](C)[C@H](NC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)C12CCC2 685938925 HYLQRGONZXIUDO-ZUWCUPBKSA-N 344.477 1.455 0 40 EDAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H]1CC(=O)N(C)C1 69571264 LILKLZKHBDZMOJ-VHSXEESVSA-N 330.306 1.820 0 40 EDAB O=C(c1ccc(-c2cn[nH]c2)cn1)N1CC(O)(c2ccc(F)cc2)C1 1558210075 BTSVOQWSHRQBNS-UHFFFAOYSA-N 338.342 1.954 0 40 EDAB CNc1cc(C(=O)NCc2cccnc2-n2cncn2)cc(Cl)n1 71893361 WKLYKGOGDSIFPX-UHFFFAOYSA-N 343.778 1.682 0 40 EDAB CCS(=O)(=O)N1CCC(n2nc3c(cc2=O)CCCCC3)CC1 72342420 XSPIGRNKVNIUGJ-UHFFFAOYSA-N 339.461 1.499 0 40 EDAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(N)=O)cc1OC 16032415 NSLZZAZISRNRBN-MDASCCDHSA-N 348.443 1.857 0 40 EDAB biogenic O=C(N[C@@H]1CCS(=O)(=O)C1)C1=Cc2cc(Cl)ccc2OC1 44889195 BQNBPLQHAVQTDG-GFCCVEGCSA-N 327.789 1.419 0 40 EDAB C[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1ccccn1 44949970 GNGXSAAWWCYQOC-ZDUSSCGKSA-N 326.404 1.901 0 40 EDAB COC(=O)c1cccn1C1CCN(CC(=O)Nc2nncs2)CC1 58332800 DBMNLGXRXYIPCJ-UHFFFAOYSA-N 349.416 1.402 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCCc1cccnc1 75118800 ALAFZUJOYVXDST-UHFFFAOYSA-N 349.394 1.437 0 40 EDAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1cnnc1[S@](C)=O 75137312 ZRNVYBJVRXKMEU-XQHREBAHSA-N 342.371 1.513 0 40 EDAB CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(F)cn2)CC1=O 75137941 LHGSFHFBBJQTKT-OCCSQVGLSA-N 334.395 1.492 0 40 EDAB CCN1CCN(C(=O)N[C@@H](COC)C2CC2)C[C@@H]1c1nccn1C 583623264 QATCZKVVNJKCAI-LSDHHAIUSA-N 335.452 1.233 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1 96025311 IRDLNTHBVUMVIT-JTQLQIEISA-N 337.850 1.456 0 40 EDAB O=C(N[C@]1(C(F)(F)F)CCOC1)c1cnc(OCC2CC2)cn1 585084090 KSINOYXZDASIKC-CYBMUJFWSA-N 331.294 1.717 0 40 EDAB 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O=C(c1cc2n(n1)CCCO2)N1CCC[C@H](Oc2cccnn2)C1 225457151 CZWVTNHROMWXEX-LBPRGKRZSA-N 329.360 1.139 0 40 EDAB O=C1C[C@@H](Cn2nnnc2Cc2ccc(Br)cc2)CN1 521395002 NTUOJTCISCUSHD-SNVBAGLBSA-N 336.193 1.163 0 40 EDAB O=C1NCCC[C@H]1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 1888853220 USWWJKPTRQAQGX-GFCCVEGCSA-N 328.338 1.501 0 40 EDAB Cc1ccnc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)n1 1888854287 WJCXXZZCKMBVEP-RYUDHWBXSA-N 330.367 1.301 0 40 EDAB c1cc(C2CC2)nnc1OC[C@@H]1CCN(c2ccc3nncn3n2)C1 1888882090 GYMHHOOSBOIMTH-GFCCVEGCSA-N 337.387 1.697 0 40 EDAB CN(C)c1cc(N2CCN(c3ncnc4ccccc34)CC2)ncn1 1889149190 ZONXXFPFSIJFSQ-UHFFFAOYSA-N 335.415 1.812 0 40 EDAB COc1cnc(OC2CCN(c3ncnc4[nH]cnc34)CC2)nc1 1889149453 JIEYYGWEOHGBDW-UHFFFAOYSA-N 327.348 1.199 0 40 EDAB COc1ccc2nccc(C(=O)N3CCN(c4ncccn4)CC3)c2c1 1889211626 RTXDCQLUXRAITB-UHFFFAOYSA-N 349.394 1.996 0 40 EDAB COc1c(C)cccc1CN1CCO[C@@]2(COCC(=O)N(C)C2)C1 2037983871 JMBIBYGGOITBIV-GOSISDBHSA-N 334.416 1.063 0 40 EDAB Cc1nnc(N2CCC[C@@]3(CN(C(=O)C4(F)CCC4)CCO3)C2)o1 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CS(=O)(=O)Cc1ccc(C(=O)NC[C@H]2Cc3ccccc3O2)cc1 33112556 BKNIFUJDHIHTPQ-MRXNPFEDSA-N 345.420 1.965 0 40 EDAB O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1ccoc1 53038248 WZEFKSTYLQPHGA-UHFFFAOYSA-N 344.339 1.543 0 40 EDAB O=C1CSCN1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 53357627 RNMUPQFCMNETAA-ZDUSSCGKSA-N 330.413 1.759 0 40 EDAB C[C@@H]1c2cccn2CCN1C(=O)CN(C)S(=O)(=O)c1ccccc1 25114144 MZICNASWKFMWTO-CQSZACIVSA-N 347.440 1.712 0 40 EDAB CCc1cc(N[C@H](CS(C)(=O)=O)c2ccccc2)n2ncnc2n1 89282830 AAHOXAOMBCGBRG-CQSZACIVSA-N 345.428 1.885 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCn2c(nnc2C2CC2)C1 78787885 URKAKQCCBWWALT-ZDUSSCGKSA-N 337.427 1.949 0 40 EDAB CCOC(=O)C(Cc1ccc(Cl)cc1)(NC(C)=O)C(=O)OCC 1724554 HBZSFXOTCKUYOM-UHFFFAOYSA-N 341.791 1.884 0 40 EDAB COc1ncnc(N)c1CN[C@H]1CCN([C@H](C)c2ccccc2)C1 79017918 NUZKVHZTLQPZEL-HIFRSBDPSA-N 327.432 1.993 0 40 EDAB Cn1cc(CCNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cn1 42729229 UKOZEIZOLVQKBD-UHFFFAOYSA-N 340.383 1.042 0 40 EDAB Nc1nc(Cl)cc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)n1 24056669 ADUGNQLBFGXRFL-UHFFFAOYSA-N 345.834 1.969 0 40 EDAB Cc1cc(C(=O)Nc2cccc(-n3cnnn3)c2)c2c(C)nn(C)c2n1 24496396 YAGCQCGGCNWYJS-UHFFFAOYSA-N 348.370 1.813 0 40 EDAB CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1 1388926 ATWTWEBSSHJSEC-UHFFFAOYSA-N 333.413 1.525 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)CCn1cccn1 100141348 QDIMBDQVSDIDPJ-UKRRQHHQSA-N 336.399 1.913 0 40 EDAB CCCCNC(=O)CNc1cc(S(=O)(=O)N(C)C)cc(C)c1C 25610439 TWZKECUDNAFVPR-UHFFFAOYSA-N 341.477 1.882 0 40 EDAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1C[C@H]2CC[C@H]1C2 107333531 JLMBVUJNBZPHEU-GVXVVHGQSA-N 337.397 1.699 0 40 EDAB Cc1cccc(CN2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 107197834 HOTIEDKRFRRPMF-DLBZAZTESA-N 325.416 1.518 0 40 EDAB CC1(C)[C@@H]2CC=C(CN3C[C@@]45C=C[C@H](O4)[C@@H](C(=O)O)[C@H]5C3=O)[C@@H]1C2 101239844 KFWIQRFOCDYDRG-WZBJYOASSA-N 329.396 1.845 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H]1CCCc2ccccc21 26565271 AKWCLJQRFMDOOW-OAHLLOKOSA-N 327.384 1.498 0 40 EDAB Cc1nc2ccccc2nc1N1CCCN(CC(=O)NC(C)C)CC1 26706008 WKGCNGXXQQGVMR-UHFFFAOYSA-N 341.459 1.975 0 40 EDAB COc1ccc(CC(=O)NCc2nnc3ccccn23)cc1OC 9476884 MXJIBIYANVPBLJ-UHFFFAOYSA-N 326.356 1.605 0 40 EDAB O=S(=O)(NCCn1nnc(-c2cccc(F)c2)n1)c1ccccc1 48187821 GKWSBOUQHWIAHX-UHFFFAOYSA-N 347.375 1.458 0 40 EDAB O=C(c1ccnc(-n2ccnc2)c1)N1CCN(Cc2ccncc2)CC1 48245553 LHNAZTPQOICWCG-UHFFFAOYSA-N 348.410 1.620 0 40 EDAB O=C(NC[C@@H](O)c1cccc(Cl)c1)NC[C@H]1CCS(=O)(=O)C1 48229688 BFNROWOWNCXJMT-ZWNOBZJWSA-N 346.836 1.107 0 40 EDAB CC1(C)NC(=O)N(CCN2CCO[C@@H](c3ccc(F)cc3)C2)C1=O 26929288 XQVMORZUIFJWPM-CQSZACIVSA-N 335.379 1.529 0 40 EDAB Cn1nc(C(=O)NC2CCCCC2)cc1OCC(=O)N1CCCC1 57355306 GSKGZARNTVPHCC-UHFFFAOYSA-N 334.420 1.484 0 40 EDAB CCOc1ccccc1OCC(=O)NC[C@@H]1CCS(=O)(=O)C1 44718083 KNUOQPUFQDVDSX-LBPRGKRZSA-N 327.402 1.015 0 40 EDAB COc1nc(C(=O)Nc2nc(CC(N)=O)cs2)cc2ccccc12 58265793 PJKRCMJPXBQDTO-UHFFFAOYSA-N 342.380 1.980 0 40 EDAB O=C(CNC(=O)c1ccccc1)Nc1cnn(Cc2ccccn2)c1 58268055 OMPDXITVYVJJSV-UHFFFAOYSA-N 335.367 1.695 0 40 EDAB CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)CC1 100747194 ILHFDWFUDMBMOP-UKPHBRMFSA-N 344.459 1.991 0 40 EDAB Cn1cc(C(=O)NCC[C@](O)(c2ccccc2)C(F)(F)F)cn1 58230756 HQUZTNUANKSQIO-AWEZNQCLSA-N 327.306 1.990 0 40 EDAB Cc1nc2ccccn2c1CN1CCCC[C@H]1C(=O)N1CCOCC1 89547708 HFOMFJYXVSUCKV-INIZCTEOSA-N 342.443 1.856 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3cscn3)CC2)C1 108535116 DUVDKMKVXCCIBJ-UHFFFAOYSA-N 329.447 1.077 0 40 EDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)NCCc1c(F)cccc1F 58309620 OHUCNRRKSPWBHY-SNVBAGLBSA-N 349.424 1.544 0 40 EDAB COc1cc(C(=O)NCCC(=O)NCc2ccncc2)ccc1C 58341451 IUMAJALAPBCYJD-UHFFFAOYSA-N 327.384 1.835 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 58392719 GUEGYZSPSMPCGH-CQSZACIVSA-N 342.395 1.803 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)Cc2c[nH]c3ccccc23)CC1 58421368 SSQJBBCXDWUWHL-UHFFFAOYSA-N 349.456 1.498 0 40 EDAB CC(C)N1C(=O)N[C@@](C)([C@H]2CCCN(CCc3cnn(C)c3)C2)C1=O 89869759 FAFOSLPTIAZQRU-YJBOKZPZSA-N 347.463 1.394 0 40 EDAB CC(=O)NC1(c2ccccc2F)CCN(CCN2CCOCC2)CC1 23089509 WKVFYSDQVCNYHP-UHFFFAOYSA-N 349.450 1.585 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1C[C@@H]2CC[C@@H]1C2 102948527 QCMJUUAKWLBGEL-PRULPYPASA-N 335.429 1.959 0 40 EDAB COCCN1CCC[C@H]1CNC(=O)N1CCN(c2ccccn2)CC1 111864799 KPGQKUYZBMZERB-INIZCTEOSA-N 347.463 1.024 0 40 EDAB Cc1cccnc1CN1C[C@H](C(=O)N2CCCCO2)[C@H]2OCC[C@H]21 108536101 HKRIEUZEQLKKCW-USXIJHARSA-N 331.416 1.533 0 40 EDAB Cc1cc(NC(=O)CCN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)no1 11381201 VNTBSGTZXHBZDZ-MGPLVRAMSA-N 334.376 1.812 0 40 EDAB COCCOc1ccc(S(=O)(=O)NC[C@H]2CCOC2)cc1C 45743139 VSMUOZTWYDBFNE-CYBMUJFWSA-N 329.418 1.335 0 40 EDAB Cc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(N)n1 45723684 QFBIUZPXMMEVIA-UHFFFAOYSA-N 327.388 1.418 0 40 EDAB CC[C@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@H]1N1CCOCC1 84735822 BMHVEZVFYMKUHW-FUHWJXTLSA-N 348.491 1.539 0 40 EDAB O=C(c1cccnc1-n1cncn1)N1CCN(c2ccccc2)CC1 29506791 YXRUCMUPUTXEPU-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB CN(C)C(=O)CCCS(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 46110057 TVEUFGXOBFJGES-UHFFFAOYSA-N 347.820 1.852 0 40 EDAB CNC(=O)NC(=O)CNc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 29650468 QONONOGKBQFQMR-STQMWFEESA-N 346.431 1.672 0 40 EDAB CNC(=O)CN1CCC(NC(=O)[C@H]2Cc3ccc(C)cc3S2)CC1 46449335 KSBTXKGNYSILPP-MRXNPFEDSA-N 347.484 1.338 0 40 EDAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H](C(N)=O)c1ccccc1 84736224 FOUWHUPCKRBCST-COXVUDFISA-N 329.444 1.840 0 40 EDAB CCCCNC(=O)C1CCN([C@H]2CCN(c3cnn(C)c3)C2=O)CC1 84744527 OEXQGVBZHUMUST-INIZCTEOSA-N 347.463 1.154 0 40 EDAB CCc1cc(N2CCC[C@@H]2CC(=O)c2cnn(C)c2)n2ncnc2n1 95455243 ZQUDSMUCAYHONA-CQSZACIVSA-N 339.403 1.662 0 40 EDAB CCc1nn(C)c(CC)c1CNC(=O)NCc1nnc2ccccn12 95437481 QJDIWBNXCHEKRN-UHFFFAOYSA-N 341.419 1.587 0 40 EDAB C[C@H](NC(=O)Cn1ccc(-c2ccco2)n1)C(=O)N1CCCCC1 95417891 NTBGPAJNWHKRCM-ZDUSSCGKSA-N 330.388 1.660 0 40 EDAB CN1CCN(CCNC(=O)c2ccnn2C)[C@@H](c2ccccc2)C1 65403969 MBBXJMTXRMLHID-QGZVFWFLSA-N 327.432 1.139 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)Nc2cccnc2)C(N)=O)cc1 65465363 RQVYLIFPMWJPAQ-CQSZACIVSA-N 342.399 1.946 0 40 EDAB COc1ccc(CN(C(=O)C[C@H]2SC(=O)NC2=O)C2CC2)cc1 14022987 YLMJZUSYHCAMJB-CYBMUJFWSA-N 334.397 1.928 0 40 EDAB CCCNC(=O)NC(=O)Cn1nnc(-c2cc3ccccc3o2)n1 65578842 KQKUOXDLWMRKPC-UHFFFAOYSA-N 328.332 1.322 0 40 EDAB CCOc1ccc(NC(=O)CS(=O)(=O)NC[C@@H]2CCCO2)cc1 65548114 XWQLQYFLQBPBNF-AWEZNQCLSA-N 342.417 1.122 0 40 EDAB COc1ccccc1S(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C 65513238 DCPTZVKQJBOMCV-CHWSQXEVSA-N 340.445 1.763 0 40 EDAB CS(=O)(=O)NCCC(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 65514001 BBTBGGMNVQRKRK-UHFFFAOYSA-N 349.416 1.227 0 40 EDAB Cc1ccc(S(=O)(=O)NC(=O)c2cccc3c2OCCO3)s1 65644045 VAFNVBGEFHGXCJ-UHFFFAOYSA-N 339.394 1.946 0 40 EDAB CN(C)C[C@@](C)(O)CNC(=O)Nc1cc(Cl)ccc1N(C)C 95434436 WTVRXURWZBXTBW-HNNXBMFYSA-N 328.844 1.840 0 40 EDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc2c(c1)OCO2 6533282 WCAMUJMKPQFPET-SSDOTTSWSA-N 333.373 1.489 0 40 EDAB CN(C(=O)Cn1cc(I)cn1)c1nccs1 95448534 XGYBHEIWSCUWLP-UHFFFAOYSA-N 348.169 1.607 0 40 EDAB CCOCCC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 66421146 AFGSVEWOXMPLIY-HZPDHXFCSA-N 339.480 1.252 0 40 EDAB CCc1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1 4815822 QBEAZGKMDNEXBY-UHFFFAOYSA-N 325.415 1.903 0 40 EDAB C[S@](=O)c1ncn(C[C@H](O)COc2cccc(C(F)(F)F)c2)n1 95438966 IIHMLMYXUPKUAP-SDWAUSNYSA-N 349.334 1.474 0 40 EDAB O=C(Nc1cccc(Cn2ccccc2=O)c1)N[C@@H]1C=C[C@H](CO)C1 81612891 RXQOKDCOXWZFDI-DOTOQJQBSA-N 339.395 1.955 0 40 EDAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)c1 8268658 UJROMBWJUWEWGQ-NSHDSACASA-N 345.355 1.992 0 40 EDAB O=S(=O)(CCN1CCN(c2nccs2)CC1)C(F)(F)F 69374017 MLWQWIHEAPCVHY-UHFFFAOYSA-N 329.369 1.200 0 40 EDAB O=C(Cn1c(C2CC2)nc2ccccc21)NCCNc1ncccn1 69347848 LTLHSKRBUXWQKE-UHFFFAOYSA-N 336.399 1.932 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3noc(C)n3)CC2)cc1 69351560 KCWHEINSUOCKIZ-CQSZACIVSA-N 344.415 1.798 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN2CCCC[C@@H]2C1 71839972 LCOUYOJGXBYHEV-OAHLLOKOSA-N 342.447 1.370 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2ccc(N3CCCC3)nn2)C1 69441533 GYLIGNWZILIJNG-HUUCEWRRSA-N 331.464 1.785 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)CN2CCN(C)CC2)c1 71817357 MDJLWLCOEODPQF-HNNXBMFYSA-N 339.505 1.465 0 40 EDAB CCOc1ccc(OCCNC(=O)Cn2c(C)csc2=O)cc1 8402750 FKEWXRSGSQUSQX-UHFFFAOYSA-N 336.413 1.812 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)n1 69518204 BMELYOLCDUVWMY-KGLIPLIRSA-N 342.399 1.921 0 40 EDAB COc1ccccc1CC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 69530059 LPXQIIFVVLRRIF-AWEZNQCLSA-N 345.399 1.074 0 40 EDAB COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cc1 69599845 WIVNQOXXCLMKSB-SJORKVTESA-N 338.473 1.436 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)NCc1cn2c(n1)CCCC2 69588413 QQMLCZDUUKDNAM-UHFFFAOYSA-N 343.387 1.649 0 40 EDAB O=C(NCc1nc(C2CC2)no1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 69519999 JCQSDOUATMDKCU-LLVKDONJSA-N 344.346 1.755 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCS(=O)(=O)C1 69593902 QZYQWPLTXXAVSY-ZYHUDNBSSA-N 344.383 1.094 0 40 EDAB O=C(COc1cc(F)ccc1F)NN1C(=O)c2ccccc2C1=O 71879401 OZFNWSCDQKTVJO-UHFFFAOYSA-N 332.262 1.671 0 40 EDAB Cc1cccc(NC(=O)CCNCc2c(C)nn(C)c2N(C)C)n1 71853285 JFUUGCYCFAKTLF-UHFFFAOYSA-N 330.436 1.616 0 40 EDAB CCN(C)C(=O)[C@H]1CSCN1C(=O)C1=NO[C@@H](c2ccccc2)C1 69654784 QPWJFSFWAVCAOK-HUUCEWRRSA-N 347.440 1.884 0 40 EDAB CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(F)cc1 69631630 FNZYFDOGKQDDPL-UHFFFAOYSA-N 337.420 1.973 0 40 EDAB COc1ccccc1Nc1nc(N)nc(COC(=O)[C@H]2CCCO2)n1 8528340 IVQXGNCGPABVCN-GFCCVEGCSA-N 345.359 1.428 0 40 EDAB C[C@H](NC(=O)NCc1ccnc(N(C)C)c1)C(=O)NCc1ccco1 69772400 JVFBRMYAIQBUGU-LBPRGKRZSA-N 345.403 1.245 0 40 EDAB C[C@H](CNC(=O)Cn1c(=O)cnc2ccccc21)CC1(C)OCCO1 71916656 HQIRAVYIGMETQT-ZDUSSCGKSA-N 345.399 1.302 0 40 EDAB C[C@H]1CCc2ccccc2N1CCC(=O)N1CCN(CCO)CC1 87084418 JFLXARYSNDQVRN-INIZCTEOSA-N 331.460 1.354 0 40 EDAB OC[C@H]1CCCN1c1cc(NCc2ccc3c(c2)CCO3)ncn1 72276243 KHULRQQOFHPFMG-OAHLLOKOSA-N 326.400 1.985 0 40 EDAB C[C@@H](NC(=O)CNCCn1cccn1)c1ccc2c(c1)OCCO2 72267849 RKYQFRNBMNXOQU-CYBMUJFWSA-N 330.388 1.121 0 40 EDAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccnn1C 97142518 NNHAJBGODPFYHL-YOEHRIQHSA-N 327.432 1.740 0 40 EDAB Cc1nn(CCO)c(C)c1CNCc1cccc(C(=O)N(C)C)c1 97159998 JTGDMLAJEBWSBJ-UHFFFAOYSA-N 330.432 1.484 0 40 EDAB Cc1csc(CCNC(=O)CCn2nc3ccccn3c2=O)n1 89705543 MWIFIWJETAYRGQ-UHFFFAOYSA-N 331.401 1.010 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cccc(-c2nc[nH]n2)c1 95959622 LJXJNTIACROTES-ZDUSSCGKSA-N 349.416 1.224 0 40 EDAB Cc1nn(C)c(C)c1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95997961 LOYVCFHPNWTGIY-UHFFFAOYSA-N 336.399 1.993 0 40 EDAB CN1C(=O)c2ccc(C(=O)NCc3cccc4c3OCO4)cc2C1=O 95954108 MSVPDELWYYPFNQ-UHFFFAOYSA-N 338.319 1.571 0 40 EDAB CCc1noc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)n1 95984624 NJZFZCLHRKCZSA-WDEREUQCSA-N 338.433 1.952 0 40 EDAB CNC(=O)CCN(C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 89894195 FDWMBEJCTOWJFZ-OAHLLOKOSA-N 331.460 1.882 0 40 EDAB Cc1c([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)oc2ccc(F)cc12 76065664 WNXJHIJHWYKXQE-VIFPVBQESA-N 345.334 1.448 0 40 EDAB CCn1nc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)ccc1=O 76044642 LGHSNCUZWDUNMB-GFCCVEGCSA-N 329.360 1.501 0 40 EDAB COCCOc1cccc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 76053057 YDIPUGSPJSMKIW-MAUKXSAKSA-N 348.443 1.505 0 40 EDAB COCC1(NC(=O)c2cnc(-c3ncccn3)s2)CCOCC1 558421656 POPBQRHQXRQWOB-UHFFFAOYSA-N 334.401 1.526 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)cc1C 409277319 BOWHLVUTNMFPIW-MMMWYMCRSA-N 341.363 1.489 0 40 EDAB Cc1ccc2cccc(S(=O)(=O)N3CCOC[C@@H]3C(=O)O)c2n1 547916150 PVXFLYSBHKVDQJ-GFCCVEGCSA-N 336.369 1.017 0 40 EDAB O=C(c1n[nH]c2c1CCC2)N1CC2(C1)OCC[C@@H]2CCOCC1CC1 306123400 AMBZUSWFXJMYRS-AWEZNQCLSA-N 345.443 1.946 0 40 EDAB COCCNC(=O)c1ncn2c1-c1nc(NCC3CC3)ncc1CC2 306124173 BIFWCAPLTMDJDS-UHFFFAOYSA-N 342.403 1.094 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@H](Oc2cnsn2)C1 675008076 VNDZHNKRVDLWBS-SNVBAGLBSA-N 346.368 1.126 0 40 EDAB CC(C)Cc1nnc(NC(=O)Cn2nc3c(cc2=O)CCCC3)s1 61717924 AUMQYFNSCRXHRC-UHFFFAOYSA-N 347.444 1.811 0 40 EDAB CN1CCN(C(=O)[C@H]2C[C@@H]3CN(Cc4cccs4)C[C@@H]3N2C)CC1 306138450 RXSNBASTOSGVNY-OIISXLGYSA-N 348.516 1.027 0 40 EDAB C[C@@H](O)CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707688 QNZFNMHZGINZNG-CQSZACIVSA-N 326.396 1.432 0 40 EDAB C[C@H](NC(=O)c1ccc(Cn2cccn2)o1)C(=O)N1CCCCC1 72249916 RDCBNVNRRYWHLD-ZDUSSCGKSA-N 330.388 1.655 0 40 EDAB O=C(Nc1cc2ccccc2oc1=O)C1CN(S(=O)(=O)C2CC2)C1 70818015 NQYLDLBTLYYUCL-UHFFFAOYSA-N 348.380 1.156 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccco2)[C@@H]1c1ccccc1F 72241586 BTQMBHTWTWBMGG-JKSUJKDBSA-N 332.331 1.633 0 40 EDAB CCOC(=O)c1nnc2nc(C(F)(F)F)nn2c1/C=C/N(C)C 72401347 GUMDKHHNOWKWNZ-AATRIKPKSA-N 330.270 1.247 0 40 EDAB O=C(O)c1cnn(C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 563079206 DQBVQKWMGZAXRI-UHFFFAOYSA-N 335.385 1.607 0 40 EDAB Cc1csc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n1 74932285 WJVXIAHANXBNCQ-UHFFFAOYSA-N 325.371 1.697 0 40 EDAB O=C(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccc(N2CCOCC2)cc1 238812884 ASQXZQNAAUGYIR-KBAYOESNSA-N 346.427 1.590 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)Cc1n[nH]c(=O)c2ccccc12 72402621 MWRWVVMVCPWUSO-UHFFFAOYSA-N 325.372 1.132 0 40 EDAB Cc1nc(CN2CCCN(C(=O)Nc3cn(C)nn3)CC2)cs1 564621546 HRBDJALCRVSBBY-UHFFFAOYSA-N 335.437 1.320 0 40 EDAB CNc1cc([C@@H]2CCN2S(=O)(=O)c2c(C)noc2C)nc(C)n1 72387636 MKWATJMWBRUDDA-LBPRGKRZSA-N 337.405 1.567 0 40 EDAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2)c1)N1CCOCC1 47156116 CTIFZNNOPCANEQ-UHFFFAOYSA-N 346.408 1.960 0 40 EDAB O=C([C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12)N1CCOCC1 223388886 BMAZZBHKHBSCMD-MRXNPFEDSA-N 327.384 1.518 0 40 EDAB O=C1CNc2ncnc(Nc3cnn(Cc4cccc(F)c4)c3)c2N1 41121476 MIXFNZAMXFXASP-UHFFFAOYSA-N 339.334 1.968 0 40 EDAB O=C1CCSC[C@H](C(=O)Nc2nc3ccc(F)cc3s2)N1 227115484 UMDNRYQMYQNGIC-SECBINFHSA-N 325.390 1.996 0 40 EDAB C[C@]1(C(=O)NCCNC(=O)Cc2cccc(F)c2)C[C@H]2CC[C@H]1O2 225628504 NUOOQSNYEYIVMB-RKVPGOIHSA-N 334.391 1.558 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3nccs3)C[C@@H]12)NCC1CC1 96057164 UJHGAXSFYRIQMF-KFWWJZLASA-N 335.473 1.754 0 40 EDAB C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)c1ccnnc1 96109748 SMCNSRAJITWFLV-GFCCVEGCSA-N 327.388 1.817 0 40 EDAB CN(C)CCOCc1nnc2n1CCN(Cc1ccc(F)cc1)CC2 96058868 ZOENBFHCWRPTLV-UHFFFAOYSA-N 347.438 1.554 0 40 EDAB Cn1ccnc1C(=O)N[C@@H]1CN(Cc2ccco2)[C@@H]2CCCO[C@H]12 96056348 XGWCHKUBUDYYSF-RBSFLKMASA-N 330.388 1.175 0 40 EDAB Cc1ccc(N2CCC[C@]3(C2)CN(c2ncccn2)CCO3)nn1 96226539 UNYNLMBKICZLGM-KRWDZBQOSA-N 326.404 1.451 0 40 EDAB O=C(NC1CC1)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 96239689 FAUGHLIKQWQYCB-HNNXBMFYSA-N 337.374 1.886 0 40 EDAB CN1C(=O)C[C@H](c2ccncc2)C12CCN(S(=O)(=O)C1CC1)CC2 96261238 GRZMACWAWQFAQP-OAHLLOKOSA-N 349.456 1.354 0 40 EDAB COc1cc(Cl)ccc1C(=O)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617778 QZWKPFAFZPVTPD-HNNXBMFYSA-N 336.779 1.591 0 40 EDAB O=C(CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 95475432 MGVHJSRPUHGBSB-CQSZACIVSA-N 326.352 1.627 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CC[C@@H](O)[C@H]1Cc1ccncc1 96200731 DABVAPKHQOXWSS-HZPDHXFCSA-N 336.388 1.587 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)CCN(c1ncccn1)CC2 96158473 BNPGSORARISSAQ-OAHLLOKOSA-N 330.432 1.722 0 40 EDAB CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 96455040 UIBZIIOLHHCSSS-UPJWGTAASA-N 337.386 1.983 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCCSCC1 585121584 SUIBTDMPZVHVHX-LRDDRELGSA-N 344.477 1.712 0 40 EDAB CN(c1nc2ccccc2o1)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 585128926 RDHMISGNRRIJOE-NSHDSACASA-N 348.384 1.811 0 40 EDAB Cc1ccc2nc(C(=O)N3CCO[C@@H](c4cccc(N)n4)C3)cn2c1 257228554 FUGPETJPGSLWBT-OAHLLOKOSA-N 337.383 1.834 0 40 EDAB CO[C@H]1CC[C@H](C(=O)NCc2cc(O)nc(N3CCCC3)n2)CC1 257280585 OLLOSKWAOKUKOD-MQMHXKEQSA-N 334.420 1.604 0 40 EDAB CC(C)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C[C@@H]1C(N)=O 257218996 DFEVOUPMNRLBIS-OAHLLOKOSA-N 332.379 1.327 0 40 EDAB O=C(c1ccc2c(c1)CCCC2)N1C[C@@H](O)[C@H](N2CCOCC2)C1 257259008 KWKSLHANNMGAJR-QZTJIDSGSA-N 330.428 1.083 0 40 EDAB CC(C)(CN1CCOCC1)NC(=O)c1cccc(-c2cncnc2)n1 257310989 UHLCHAPCBOCOSS-UHFFFAOYSA-N 341.415 1.379 0 40 EDAB Cn1nc(C2CCOCC2)cc1C(=O)NCc1ccc(C(=O)O)cc1 1608148891 RZNDOAPDUDNTDG-UHFFFAOYSA-N 343.383 1.942 0 40 EDAB CCn1cc([C@@H]2CN(C(=O)Cc3ccnc(OC)c3)CCO2)cn1 1615558128 NHITUJPLLQEMCJ-HNNXBMFYSA-N 330.388 1.449 0 40 EDAB CCC1(CC)CN(C(=O)C2CCN(S(N)(=O)=O)CC2)CCS1 390833340 GGVIHROPHULKHJ-UHFFFAOYSA-N 349.522 1.036 0 40 EDAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(CO)COC2)cc1 575624081 CCMMAIFZPPYOQX-UHFFFAOYSA-N 347.436 1.947 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@H](c1cccs1)n1cccn1 575606370 VPNHDQBJIDWNSN-GFCCVEGCSA-N 331.401 1.706 0 40 EDAB COCCN1CCC[C@]2(CCC(=O)N2CC(=O)N2CCCC2)CC1 585100815 XRRSGYMAURZVES-SFHVURJKSA-N 337.464 1.102 0 40 EDAB Cc1ccc(OC[C@@H]2CCn3nccc3CN2S(C)(=O)=O)cn1 585097820 RBEGOBPWHBLESZ-AWEZNQCLSA-N 336.417 1.199 0 40 EDAB CNC(=O)C[C@]1(OC)COCCN(Cc2ccc3cc[nH]c3c2)C1 585279504 NHXTWXQOCGHPKF-GOSISDBHSA-N 331.416 1.521 0 40 EDAB C/C=C1\C=C(\C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 585162574 UAYZNOYHWPOXJQ-NCDRUHKJSA-N 333.384 1.113 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 29207188 ZRJQKHAQOHVGKB-CYBMUJFWSA-N 330.837 1.423 0 40 EDAB CS(=O)(=O)NCCCNC(=O)c1ccc(-c2ccc(F)cc2)o1 30251008 WUTIILFDEGSLMK-UHFFFAOYSA-N 340.376 1.755 0 40 EDAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)COc1ccccc1OC 67621116 KWKWMUOCYZYQNO-CQSZACIVSA-N 334.416 1.933 0 40 EDAB C[C@H](O)CN1CCC(CNCc2ccc(-n3cncn3)c(F)c2)CC1 69349792 GPXFPXOZUXYCBW-AWEZNQCLSA-N 347.438 1.589 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cnc(-c2cccc(O)c2)nc1 70040262 FEJCCOKPBBWQOY-NSHDSACASA-N 347.396 1.613 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C 69601805 KMOJBKJQCNXFAN-LLVKDONJSA-N 345.465 1.327 0 40 EDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCN(C2CCCC2)CC1 45086083 HNGQAALGVVJBIJ-UHFFFAOYSA-N 325.416 1.968 0 40 EDAB Cn1ccnc(N2CCC(N3CCc4sccc4C3)CC2)c1=O 1776000431 BLVFGFFSUKYLHD-UHFFFAOYSA-N 330.457 1.869 0 40 EDAB O=C(CNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)NCCO 84335415 WZTAHQFTGXWYQV-RYUDHWBXSA-N 331.199 1.322 0 40 EDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1ccnn1C 95949029 JNAHMORUZXBJLI-QGZVFWFLSA-N 326.400 1.572 0 40 EDAB CC[C@H](C(=O)NCCN1CCS(=O)(=O)CC1)c1ccc(F)cc1 97378226 KXINPRHFCINQKP-HNNXBMFYSA-N 342.436 1.166 0 40 EDAB COc1ccc(CN2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)c(OC)c1 100018589 WNWZAJDOAPWELA-CTNYNGJSSA-N 345.351 1.070 0 40 EDAB Cc1nc(CN(C)S(=O)(=O)c2ccccc2Br)no1 95959743 NCMOXBUKLLZZLO-UHFFFAOYSA-N 346.206 1.961 0 40 EDAB Cc1csc(CNC(=O)N2CC[C@H](N3CCCS3(=O)=O)C2)c1 1615587551 HDBORAOHVUJJAU-LBPRGKRZSA-N 343.474 1.376 0 40 EDAB O=C(c1ccccc1)N1CCC(NC(=S)NC[C@@H]2CCCO2)CC1 16705127 YODOEVHGNYOSCM-INIZCTEOSA-N 347.484 1.934 0 40 EDAB COCCN1CCC(CNC(=O)C(=O)N[C@@H](C)c2ccccc2)CC1 23127355 URBKBTIAIWYTHR-HNNXBMFYSA-N 347.459 1.338 0 40 EDAB C[C@H]1CC[C@@H](CCC(=O)NC2CCN(c3nccn(C)c3=O)CC2)O1 583618480 ZXRSXIWFSLHLBN-ZFWWWQNUSA-N 348.447 1.213 0 40 EDAB CN1C(=O)CN(C2CCN(CC(=O)OCc3ccccc3)CC2)C1=O 823748570 DWBZANKEMFZTIS-UHFFFAOYSA-N 345.399 1.088 0 40 EDAB O=C([C@@H]1CN(Cc2ccc(F)c(F)c2)CCO1)N1CCOCC1 1889119582 OPBUTUSNQAVYNC-HNNXBMFYSA-N 326.343 1.024 0 40 EDAB Cc1nc(C(=O)N2CCc3ncnc(-c4cncnc4)c3C2)cs1 1565556211 PXAVXROEIUVJIA-UHFFFAOYSA-N 338.396 1.897 0 40 EDAB COC[C@H]1CC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CN1C(C)C 1565544477 IEDKZLWKJJNSTP-NCOADZHNSA-N 336.476 1.617 0 40 EDAB O=C(c1ccc(F)cc1F)N1CCN(c2ccc3nncn3n2)CC1 16848013 IBBLDCZTIKEGNC-UHFFFAOYSA-N 344.325 1.365 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2ccc(Cl)cc2)C1 2055772531 RDVPSRPRMJSASD-KRWDZBQOSA-N 346.818 1.914 0 40 EDAB CCc1ccc(S(=O)(=O)NCc2cn(-c3ccncc3)nn2)s1 575414430 JEKHSQOEOBWJNE-UHFFFAOYSA-N 349.441 1.765 0 40 EDAB O=C(N[C@@H](CO)c1ccccc1)c1cc(F)ccc1-n1cnnn1 36569502 UXEKWJJGOKMEPO-AWEZNQCLSA-N 327.319 1.265 0 40 EDAB COc1ccc(OC)c2c1CN(Cc1ccc(C(N)=O)cc1)C[C@@H]2O 30588760 XXZKMDQPHNYRKD-HNNXBMFYSA-N 342.395 1.852 0 40 EDAB C[C@@H](CN1CCCCC1)NC(=O)Nc1cccc(S(N)(=O)=O)c1 31055219 GSHSWQSYQUVUBA-LBPRGKRZSA-N 340.449 1.330 0 40 EDAB NC(=O)[C@H]1CN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CCO1 51106376 KSYIIZPWYLJGGA-QGZVFWFLSA-N 339.395 1.478 0 40 EDAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 40553731 WNAXNEYBSHBEGY-CQSZACIVSA-N 329.404 1.799 0 40 EDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCS(=O)(=O)N1CCSCC1 101003879 VNLUXDHJWIPZPG-MELADBBJSA-N 346.518 1.308 0 40 EDAB O=C1NCCN1C1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 52215197 RHTGTRXKXBQTHL-DOTOQJQBSA-N 348.491 1.657 0 40 EDAB CCCCn1nnnc1COC(=O)c1ccc(CNC(C)=O)cc1 32741887 GGYXHCQXRLLJPB-UHFFFAOYSA-N 331.376 1.466 0 40 EDAB CC(C)OCCOC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 53706943 KCXQRMVYUPJUNJ-HNNXBMFYSA-N 334.416 1.970 0 40 EDAB Cc1cc2ccccc2n1CC(=O)O[C@@H](C)C(=O)N1CCNC1=O 25191991 AXPDAXJRFZTNIR-LBPRGKRZSA-N 329.356 1.433 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCO[C@H](CNc3cccnn3)C2)C1 78894151 HMNVYHMIIQXEHH-BZUAXINKSA-N 347.463 1.094 0 40 EDAB CCn1c(=O)[nH]c2cc(C(=O)O[C@@H]3CCC[C@@H]3OC)ccc2c1=O 78985794 CYAYJEIKHIZENI-UONOGXRCSA-N 332.356 1.434 0 40 EDAB CCCNC(=O)CN(CCC)C(=O)c1cnc(-n2cccn2)cn1 79110288 UJYWGTTVKBTSGK-UHFFFAOYSA-N 330.392 1.041 0 40 EDAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269581 QHZHOGYWYRSXTC-IRXDYDNUSA-N 341.411 1.199 0 40 EDAB COc1ccc(NC(=O)CSc2nc(N)cc(N)n2)c(OC)c1 3605645 NMLXFQVZBQUCEQ-UHFFFAOYSA-N 335.389 1.389 0 40 EDAB C[C@@H]1CCCCN1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 42946475 AFOIJRWLEZLSMD-GFCCVEGCSA-N 325.434 1.461 0 40 EDAB Cc1cc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c(C)o1 8268726 UMMYZMXXSKFEPP-UHFFFAOYSA-N 339.369 1.780 0 40 EDAB Cc1nn(C)c2cnn(CCCNS(=O)(=O)c3ccccc3)c12 57279048 POWWWQSRKNZSNA-UHFFFAOYSA-N 333.417 1.447 0 40 EDAB COc1ccc(CN2C[C@H]3OCCN(C)[C@@H]3C2)c(Cl)c1OC 108369444 REZBAIAZZHHKPS-TZMCWYRMSA-N 326.824 1.872 0 40 EDAB O=C(NCCCCN1CCOCC1)[C@@H]1Cc2cc(Cl)ccc2O1 48285169 ZGNGKVRUULOZHV-INIZCTEOSA-N 338.835 1.872 0 40 EDAB CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 9974346 BXDAGUOUFSBIKZ-GFCCVEGCSA-N 326.418 1.150 0 40 EDAB CCn1nc(C)c2nc(C(C)C)nc(NCC(=O)N3CCOCC3)c21 57356038 TXSQDZKPOZDQMH-UHFFFAOYSA-N 346.435 1.549 0 40 EDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NC1CCCC1 27555578 YXAKZXPIEFRUMC-NSHDSACASA-N 337.445 1.144 0 40 EDAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(CCCc2cnn(C)c2)C1 84259111 BMQDSVIDZZKOLI-QGZVFWFLSA-N 345.447 1.772 0 40 EDAB CN(C(=O)Cc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 44896240 WFMHSJLJSZYLJA-HNNXBMFYSA-N 333.413 1.060 0 40 EDAB CCN(C(=O)[C@H](C)Sc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 12751184 MFRDSOAJLFTZJG-WDEREUQCSA-N 348.515 1.968 0 40 EDAB O=C(c1nnc2sc(-c3ccc(Cl)cc3)nn12)N1CCOCC1 57354665 PDKJEUFYZQYMQP-UHFFFAOYSA-N 349.803 1.979 0 40 EDAB CC(=O)N1CCC(NC(=O)c2ccc(OCC(F)(F)F)nc2)CC1 44906871 VVEGZMXYEYDREL-UHFFFAOYSA-N 345.321 1.763 0 40 EDAB C[C@@H](Sc1nnnn1C)C(=O)N1CCN(c2ccccc2)CC1 10350403 PCNWRHJRSUNCGI-GFCCVEGCSA-N 332.433 1.040 0 40 EDAB CCS(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cn1 58381791 UIOUDTPVTJJRTF-UHFFFAOYSA-N 336.211 1.064 0 40 EDAB Cc1nn(C)c(Oc2ccccc2)c1CNCCNS(C)(=O)=O 58304938 QJFXNEFVECVKTP-UHFFFAOYSA-N 338.433 1.160 0 40 EDAB Cc1cc(NC(=O)CN2CCC(NC(=O)c3occc3C)CC2)on1 58341011 CTCHASQEJJSBES-UHFFFAOYSA-N 346.387 1.717 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)cc1OC 28326088 XWKHTEZRSWKQIB-NEPJUHHUSA-N 329.418 1.858 0 40 EDAB NS(=O)(=O)c1ccc(OCCOC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 108982287 OERFYGQDXVQCRG-HUBLWGQQSA-N 339.413 1.692 0 40 EDAB CCNC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CCCS2)c1 72312540 YCZFFCOOFDJADD-CYBMUJFWSA-N 336.413 1.814 0 40 EDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCN(c3ccccn3)CC1)OC2=O 100260352 XVVOQKHMLHQNNO-RTBURBONSA-N 343.427 1.852 0 40 EDAB Cc1cccc(C)c1CN1CC[C@@H]2OCCN(S(C)(=O)=O)[C@H]2C1 108526497 DLTMGWJSYJXXIR-IRXDYDNUSA-N 338.473 1.538 0 40 EDAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc3[nH]cnc3c2)c1 11360031 SYDZKIONQZSSKY-UHFFFAOYSA-N 344.396 1.864 0 40 EDAB O=C1NCCCC[C@@H]1NC(=O)N1CCC[C@H]1c1nnc2ccccn12 45668977 MARAEFIEQYGVHO-STQMWFEESA-N 342.403 1.245 0 40 EDAB COC(=O)[C@]1(O)[C@@H](C(=O)C2CC2)[C@H](c2ccccc2)NC(=S)N1C 103359299 NJWNJQWKUCKLKF-IIYDPXPESA-N 348.424 1.005 0 40 EDAB COc1ccc(CNC(=O)CSc2ncnc3c2cnn3C)cc1 11676714 PQGWHQAUPQZFTQ-UHFFFAOYSA-N 343.412 1.780 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)NCCC(=O)NC(C)C)CC1=O 45924155 JYJYXPOLJWOWRQ-OAHLLOKOSA-N 345.443 1.633 0 40 EDAB COc1ccccc1N1CCN(CC(=O)Nc2cc(C)nn2C)CC1 29634768 BCMBACOKKTWMNJ-UHFFFAOYSA-N 343.431 1.498 0 40 EDAB Cc1nn(CC(=O)NC[C@@H]2Cc3ccccc3O2)c(=O)c2ccccc12 46277652 USTRYYIVYUFHPK-HNNXBMFYSA-N 349.390 1.825 0 40 EDAB CC(C)CN1C[C@@H](C(=O)Nc2ccc(-n3cccn3)nc2)CC1=O 29851754 PMFRZEZCGXZAER-ZDUSSCGKSA-N 327.388 1.710 0 40 EDAB C[C@H]1C[C@H](C)CN(CCNC(=O)C2CCN(C(=O)C3CC3)CC2)C1 46881377 HZOGTRHRGCRYEE-GJZGRUSLSA-N 335.492 1.729 0 40 EDAB CC(C)Oc1cccc(C(=O)N2CCc3nn(C)c(=O)cc3C2)n1 179138289 PLBIRVIWAMVWTP-UHFFFAOYSA-N 328.372 1.161 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)COCc2ccc(C)cc2)CC1 28295268 XNTISLWWCRUVDX-KRWDZBQOSA-N 336.432 1.647 0 40 EDAB COc1ccccc1[C@@H]1NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]1C(C)=O 26503430 XWZFVHJXXQUTLY-MDZLAQPJSA-N 332.278 1.505 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2c(F)cccc2F)NC(=O)NC1 12981437 VRVJOXZZLNIRBO-UHFFFAOYSA-N 340.282 1.252 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)CN(C)Cc2ccsc2)C1 12992302 UHMSFQPPTXRCHG-INIZCTEOSA-N 339.505 1.653 0 40 EDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1nc2ccccc2n1C 72300532 HNAXUFSPKJGIPF-OLZOCXBDSA-N 336.461 1.333 0 40 EDAB Cc1sc(Br)cc1S(=O)(=O)N1CCNC[C@H]1C 94870901 HDNMVIQPVZRXAX-SSDOTTSWSA-N 339.280 1.801 0 40 EDAB CN(C[C@H]1CCCC[C@H]1O)C(=O)c1ccc(=O)n(-c2ccccc2)n1 97233354 PXURASAKBWSIEY-RHSMWYFYSA-N 341.411 1.856 0 40 EDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCCn1ccnc1 96014119 NMZJGJRCJWVWFQ-KRWDZBQOSA-N 326.400 1.535 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2cccs2)NC(=O)N[C@]1(O)C(F)(F)F 4144507 PGEUKBIMRDIPOG-VAOFZXAKSA-N 338.307 1.532 0 40 EDAB COC(=O)[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 65591642 IWXKFKIAGGSHAW-CVEARBPZSA-N 327.336 1.857 0 40 EDAB COCCN1CC[C@H](CNC(=O)COCc2ccccc2Cl)C1 65586461 CMSOWZKGBYNECA-CQSZACIVSA-N 340.851 1.941 0 40 EDAB Cc1ccc(Nc2ncnc3c2cnn3C)cc1S(=O)(=O)N(C)C 14220792 UZSCOCQNSWXPSL-UHFFFAOYSA-N 346.416 1.666 0 40 EDAB CCn1c(=O)c2sccc2n(CC(=O)NCc2ccco2)c1=O 6678855 HAOICIWTNKWJTQ-UHFFFAOYSA-N 333.369 1.154 0 40 EDAB O=C(CSc1nnc(Cc2cccs2)o1)N1CCOCC1 66261778 YYMLUTKXPDCDFK-UHFFFAOYSA-N 325.415 1.673 0 40 EDAB CN(Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 66676358 YRVMEHVHJDAYIF-KRWDZBQOSA-N 329.444 1.636 0 40 EDAB COCCOCCCC(=O)N[C@@H](C)c1ccc(OCC(N)=O)cc1 84651587 UEIRQTMLJGNBCH-ZDUSSCGKSA-N 338.404 1.171 0 40 EDAB NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cc(-n2cccn2)ccn1 84617983 OPJXPWXRQKOYHJ-KBPBESRZSA-N 327.388 1.431 0 40 EDAB NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 7055190 SHLMDRUJMMHNGN-UHFFFAOYSA-N 348.380 1.748 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)c1ccc(=O)[nH]c1)N1CCCC1 71798382 WRVUPHTXXRAYKB-MRXNPFEDSA-N 341.411 1.950 0 40 EDAB Cc1cc(C(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)on1 7191370 WFTRKLWKCZCFMB-CQSZACIVSA-N 343.383 1.877 0 40 EDAB CNS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCCn3nc(C)nc32)cc1 90226044 WPDPXNIOZDLBDR-ABAIWWIYSA-N 349.460 1.680 0 40 EDAB CN(C(=O)CNc1ccc(F)c(-n2nnnc2C2CC2)c1)C1CC1 96427578 CYZWDMWXXPCYHD-UHFFFAOYSA-N 330.367 1.712 0 40 EDAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(F)cc1 7675878 VPYISIHFPQFWNP-UHFFFAOYSA-N 341.298 1.858 0 40 EDAB CCNC(=O)N1CCN(C(=O)/C(=C\c2ccccc2)NC(C)=O)CC1 68250674 RJVPQMVQUHJJQS-DTQAZKPQSA-N 344.415 1.037 0 40 EDAB CNC(=O)c1ccc(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)o1 71897087 IZGGWWUFQMGXOP-JTQLQIEISA-N 333.310 1.234 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)Cc1noc3ccccc13)C2 71860188 OYJOTWXQSBSUEK-UHFFFAOYSA-N 337.383 1.811 0 40 EDAB Cc1cnn(CCNCCCOc2ccc(S(C)(=O)=O)cc2)c1 71872141 KLYIWJUXGWRMGT-UHFFFAOYSA-N 337.445 1.654 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@H]1Cn1cccn1 71866253 CRBNDEZLHSQNJT-AWEZNQCLSA-N 337.383 1.284 0 40 EDAB COCCN(Cc1ccccn1)S(=O)(=O)c1ccc2c(c1)COC2 69113774 XELHFFUJCDCUKV-UHFFFAOYSA-N 348.424 1.949 0 40 EDAB NC(=O)C1CCN(C(=O)CSc2nnc(C3CC3)n2C2CC2)CC1 8250137 KTNMMJKCGZLHOW-UHFFFAOYSA-N 349.460 1.306 0 40 EDAB O=C(CSc1nnnn1C1CCOCC1)NCc1cccs1 71879396 LGBICAFALOFFKO-UHFFFAOYSA-N 339.446 1.495 0 40 EDAB CC(C)c1ccc(CN2CCN(C(=O)c3n[nH]c(O)n3)CC2)cc1 71819779 PVUSGCAMGGKOFH-UHFFFAOYSA-N 329.404 1.592 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)NS(=O)(=O)c1cccs1 69343052 UWJVMJCSTVLLNR-QWRGUYRKSA-N 333.431 1.527 0 40 EDAB Cn1cc(C(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)ccc1=O 69348627 PUTHTAQWRSPMRJ-UHFFFAOYSA-N 348.366 1.530 0 40 EDAB Cn1ccnc1CN1CCN(C[C@H](O)COCc2ccccc2)CC1 69371309 TYNNIOLDGPWELJ-SFHVURJKSA-N 344.459 1.115 0 40 EDAB CS(=O)(=O)NCCNC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 71803884 GBLIIGQFKNKIAX-AWEZNQCLSA-N 343.424 1.515 0 40 EDAB CCO[C@@H]1CCCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 71825543 QRYGYIIFJJNLKD-CYBMUJFWSA-N 329.400 1.883 0 40 EDAB CCN(CCNC(=O)N1CCS(=O)(=O)CC1)c1ccccc1C 71803916 RRKCRWWQZAXCFD-UHFFFAOYSA-N 339.461 1.261 0 40 EDAB COCCn1nc(C)c(CNC(=O)c2ccc(N(C)C)nc2)c1C 71830511 LOLYDMJKHDYALT-UHFFFAOYSA-N 331.420 1.537 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)Cc2nc(-c3ccco3)oc2C)CC1 71881015 RHPWBFQPSZFGDF-CQSZACIVSA-N 347.415 1.701 0 40 EDAB COc1ccccc1-c1c[nH]cc1C(=O)N1CCN(C(C)=O)CC1 69489868 BLMUISAYXKKRGH-UHFFFAOYSA-N 327.384 1.995 0 40 EDAB COc1ccc(COCC(=O)N2CCC(c3nncn3C)CC2)cc1 69416599 YXQQBHPNZRAUHE-UHFFFAOYSA-N 344.415 1.747 0 40 EDAB CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc2c(c1)OCO2 69485658 FTTHSTCYTRHWPX-LBPRGKRZSA-N 336.413 1.797 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)CCc3nccs3)CC2)n1 69517905 FJPSSYZSQBIEPG-UHFFFAOYSA-N 347.444 1.613 0 40 EDAB CN1CCO[C@@H](C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)C1 83881743 GATMHYYWGWVXAW-QGZVFWFLSA-N 330.384 1.845 0 40 EDAB CC(=O)NCCCS(=O)(=O)c1nccn1-c1cccc(F)c1 95447067 VXBJSCVMMBBDGJ-UHFFFAOYSA-N 325.365 1.311 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)CCN2CCC[C@@H]2Cn2cncn2)c1 69652070 IUZRBUCIFXQTIV-MRXNPFEDSA-N 348.472 1.833 0 40 EDAB CN(C)C(=O)c1cccc(CN2CCC[C@@H](Cn3cncn3)C2)c1 69630817 IHSDEWHXCMRWMK-MRXNPFEDSA-N 327.432 1.892 0 40 EDAB COCc1c(C(=O)N[C@@H](C)CN2CCN(C)CC2)oc2ccccc12 69620271 ATDFVSVNIXWVAE-AWEZNQCLSA-N 345.443 1.945 0 40 EDAB CCN(CC(=O)NC(=O)NC1CC1)[C@H]1CCN(c2ccccc2)C1=O 69697258 JOHHWDATRCJBFW-HNNXBMFYSA-N 344.415 1.102 0 40 EDAB Cc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c(C)c1 71913652 POBMXAFAJIWQSB-HNNXBMFYSA-N 346.475 1.242 0 40 EDAB NS(=O)(=O)CCCS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 69840432 RJFMFXAGNZNGKQ-UHFFFAOYSA-N 346.257 1.587 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1cccc(-n2cnnn2)c1 8755701 LSZMCYQTYFMWSJ-UHFFFAOYSA-N 346.354 1.804 0 40 EDAB COc1cccc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)c1 8994304 GETDJGJRIFFRRS-UHFFFAOYSA-N 326.400 1.696 0 40 EDAB Cc1ccc(-c2nnc(SCC(=O)N3CCNC3=O)n2C)cc1 8985472 GUOSIQGLOGUFKN-UHFFFAOYSA-N 331.401 1.434 0 40 EDAB COC(=O)c1ccccc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 9737298 PRICPAMCJDSBKA-SNVBAGLBSA-N 343.426 1.332 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cncc(F)c1 97022464 JTALTBMNALZOEH-MAUKXSAKSA-N 343.402 1.834 0 40 EDAB C[C@@H]1OCCN(C(=O)Nc2cc(Br)cn(C)c2=O)[C@H]1C 97048718 RMZZIBJXAXWQGI-IUCAKERBSA-N 344.209 1.789 0 40 EDAB O=C(CNc1cccc(C(=O)NCCO)c1)NCc1ccccc1F 72296253 BIQDOGIBHWWTKC-UHFFFAOYSA-N 345.374 1.276 0 40 EDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccnnc2)c(OC)c1 95989808 NRDWIURJTHAFJJ-ZDUSSCGKSA-N 331.328 1.440 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cc2ccccc2[nH]1 95957078 BSOODPCATIXQSE-HUUCEWRRSA-N 339.395 1.959 0 40 EDAB Cc1cc([C@@H](C)NC(=O)NCCCN2C(=O)CNC2=O)c(C)s1 89582393 XVXISDCCDZYDLA-SNVBAGLBSA-N 338.433 1.667 0 40 EDAB CNC(=O)NCC(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1 89570315 JFWFNMTVNQCHGL-GFCCVEGCSA-N 338.839 1.520 0 40 EDAB CCNC(=O)C1(NCC(=O)NCc2ccccc2OC)CCCCC1 75105617 ZKGRWSVGWAVUIS-UHFFFAOYSA-N 347.459 1.740 0 40 EDAB CC(=O)NCc1ccc(NC(=O)c2c(C)c(C)nn(C)c2=O)cc1 75137868 NLBQOABEYIEODJ-UHFFFAOYSA-N 328.372 1.286 0 40 EDAB Cn1ccc(N2CCC[C@@H](NC(=O)c3scnc3C3CC3)C2=O)n1 89816703 FYPGFQPFPUZZEI-LLVKDONJSA-N 345.428 1.679 0 40 EDAB Cc1nc([C@@H]2CCCN2CC(=O)N2CCO[C@H]3CCCC[C@@H]32)no1 75573214 WZSQOXFTGIJWCG-KKUMJFAQSA-N 334.420 1.685 0 40 EDAB Cc1cccn2cc(CC(=O)N3C[C@H](C)[C@@H](N4CCOCC4)C3)nc12 76051240 IQQAOFJIBCGKIX-RDJZCZTQSA-N 342.443 1.364 0 40 EDAB Cc1noc([C@H](NC(=O)NC[C@H]2CCCN2C)C2CCOCC2)n1 548012787 UNDGPPRRVKZUJS-ZIAGYGMSSA-N 337.424 1.239 0 40 EDAB COCCCNS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 408587513 DFWQQMJIJJREAA-UHFFFAOYSA-N 341.433 1.629 0 40 EDAB C[C@H](NC(=O)N1CCO[C@H](Cc2ccccc2)C1)c1nncn1C 182718384 GVDNFOFIQRDSFF-DZGCQCFKSA-N 329.404 1.529 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCC[C@@H]1CNC(=O)OCc1ccccc1 79413142 AKKLOIKWYLJFON-CVEARBPZSA-N 333.432 1.887 0 40 EDAB Cc1nccn1-c1cc(N2CCN(C(=O)c3ccccc3)CC2)ncn1 35598078 RBTXMHUPCMQTLA-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB CCN1CCN(CCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 78394320 ISHQELDYRYTJFG-OAHLLOKOSA-N 347.459 1.663 0 40 EDAB O=C(O)c1ccc(N2CCOCC2)c(I)c1 39951793 GYGVFWOCCCWANL-UHFFFAOYSA-N 333.125 1.826 0 40 EDAB COCCCNc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)O 217554113 GIMHXVWSQIVIKJ-UHFFFAOYSA-N 344.433 1.768 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NC[C@H](O)Cc1ccccc1 70959062 MYYJTVNGAPEARY-MRXNPFEDSA-N 342.395 1.031 0 40 EDAB COc1ccc2c(c1)C[C@H](C(=O)N1[C@H]3CC[C@H]1[C@@H](C(=O)O)C3)CO2 566301009 LIAIXSKIKKMBDJ-JURCDPSOSA-N 331.368 1.710 0 40 EDAB C[C@@]1(C(=O)N2CCOCC2)CN(Cc2ccc3cc[nH]c3c2)CCO1 72379926 JQGCQRLGFVXGGS-IBGZPJMESA-N 343.427 1.618 0 40 EDAB CO[C@@H]1CCC[C@@H]1OC(=O)Cn1cc(Br)ccc1=O 78985091 YPLMGYCQJDCGMY-MNOVXSKESA-N 330.178 1.722 0 40 EDAB CC[C@@]1(C)CN(C(=O)NCCc2nnc3n2CCCCC3)CCO1 187758156 UUJZJCYPVWCCGT-KRWDZBQOSA-N 335.452 1.758 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)N1CCN(c2ccccc2F)CC1 225651738 CLQHSKYJAPBSNC-UHFFFAOYSA-N 345.374 1.495 0 40 EDAB C[C@H](CO)NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 575443117 VDTRYAXCJPJLOB-SNVBAGLBSA-N 346.836 1.381 0 40 EDAB COc1ccc(CNC(=O)NC[C@](C)(O)CSC)cc1OC 75157374 DRCHFZFCPRMJIP-HNNXBMFYSA-N 328.434 1.617 0 40 EDAB Cc1cn(-c2ccccc2)nc1OCC(=O)NCc1ccn(C)n1 226852088 UVCKLRXPYLAULV-UHFFFAOYSA-N 325.372 1.609 0 40 EDAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc[nH]1 223639848 BRJUTGNMNQMYHS-CABCVRRESA-N 330.413 1.945 0 40 EDAB O=S(=O)(C[C@@H]1CCCCO1)N1CC[C@H](c2nc(C3CC3)no2)C1 328893292 AEUMIORUGSFWPW-STQMWFEESA-N 341.433 1.635 0 40 EDAB CC(=O)Nc1ccccc1OCc1ncc(CCC(=O)O)c(=O)[nH]1 223443430 BCPHENFLUFXDOZ-UHFFFAOYSA-N 331.328 1.325 0 40 EDAB C[C@H](O)CN1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 69870702 ZBGUGRQKZLUURY-LBPRGKRZSA-N 330.350 1.773 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C[C@H]1Cn2ncnc2NC1=O 40386594 YGZOPEBZRQPKEK-QMMMGPOBSA-N 335.751 1.537 0 40 EDAB CCN(C)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 225754873 NNHNTAPSKYGOEU-STQMWFEESA-N 349.497 1.789 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1cc2ccccc2[nH]1 225796518 BWTKYVSXIDHPJB-UHFFFAOYSA-N 333.351 1.703 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cccc(-c3cnn(C)c3)c2)C1 97235483 ITWYFKCTCBKBBD-QGZVFWFLSA-N 348.472 1.601 0 40 EDAB Cc1cccc(CN2CCCn3cnc(CNS(C)(=O)=O)c3C2)n1 96259444 XANBBTXXUJAIHQ-UHFFFAOYSA-N 349.460 1.042 0 40 EDAB CCn1nnc2c1CCN(C(=O)c1ccnnc1)[C@@H]2COCC1CC1 96068776 DRVAPLMHVSVGKV-OAHLLOKOSA-N 342.403 1.254 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC2CCCC2)CC1 96404058 WTXXTUCXLCBMFQ-CQSZACIVSA-N 336.480 1.561 0 40 EDAB C[C@@H](C(=O)Nc1ccc2ccn(CCN(C)C)c2c1)S(C)(=O)=O 96418428 FNAQFBQFCZHYKA-LBPRGKRZSA-N 337.445 1.575 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)Nc2nccs2)[C@@H]1c1ccc(F)cc1 96181785 QEBDOJCFIIJKGG-QWHCGFSZSA-N 335.360 1.819 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 96409318 QIIXDSCATQGQLU-AWEZNQCLSA-N 344.390 1.627 0 40 EDAB C[C@H](CN1CCOCC1)OC(=O)c1ccn(-c2ccc(F)cc2)n1 96502354 YQAANADHPHQANE-CYBMUJFWSA-N 333.363 1.889 0 40 EDAB Cc1noc(C[C@H]2C[C@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@H]3O2)n1 96219680 YJLXNELVGOPPGH-YWPYICTPSA-N 344.371 1.716 0 40 EDAB COCCN1CCCc2sc(C(=O)N3CCCN(C)CC3)nc21 96146826 OJWOWTOLTOJELF-UHFFFAOYSA-N 338.477 1.320 0 40 EDAB Cc1nnc([C@@]23CCO[C@@H]2CCN(S(=O)(=O)c2ccccc2)C3)o1 96064872 PBLSTKKZNWQLDV-GDBMZVCRSA-N 349.412 1.499 0 40 EDAB C[C@@H]1CN(CC(C)(C)CNC(=O)OC(C)(C)C)CCS(=O)(=O)C1 583650980 DPMWFXJTVMYYCX-CYBMUJFWSA-N 348.509 1.904 0 40 EDAB CS(=O)(=O)NCCCN1CCC[C@H]1c1nc2c([nH]1)CCCC2 583615460 NENMOIPHOUGATN-AWEZNQCLSA-N 326.466 1.365 0 40 EDAB Cc1cc(CN2C[C@@H]3C[C@H](CC(=O)NCc4ccco4)O[C@@H]3C2)no1 96217152 ICBBYIGCASVMPA-IAOVAPTHSA-N 345.399 1.872 0 40 EDAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(O)cc1 96113873 KXFWBPWBJDYFRM-OAHLLOKOSA-N 339.351 1.862 0 40 EDAB biogenic O=C(C[S@@](=O)Cc1cc(F)cc2c1OCOC2)NC1CCCC1 96404561 CLQXRWBZWFWDAU-HSZRJFAPSA-N 341.404 2.000 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 96082010 WXCORVUMUHRVRN-HOTGVXAUSA-N 338.411 1.541 0 40 EDAB O=C(N1CCCC1)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96048543 FRFBWVLOPWYUKB-YOEHRIQHSA-N 349.410 1.867 0 40 EDAB Cc1cccc(S(=O)(=O)N2C[C@H]3OC[C@H](c4nc(C)no4)[C@H]3C2)c1 96219085 LGZLIERPMYHYMT-QLFBSQMISA-N 349.412 1.490 0 40 EDAB Cn1c(=O)n([C@H]2CCN(C(=O)OC(C)(C)C)C2)c(=O)c2ccccc21 242592223 OMWRRCUGMFPVOG-LBPRGKRZSA-N 345.399 1.882 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)cn1 257222905 DVCNHWFHQDPHKA-LJQANCHMSA-N 340.427 1.889 0 40 EDAB Cc1ncsc1C(=O)N(C)C[C@@]1(O)CCCN(c2ncccn2)C1 257332592 XXYMANYSYUFXNF-INIZCTEOSA-N 347.444 1.345 0 40 EDAB c1cncc(CN2CCOC[C@@]3(CC[C@@H](CN4CCCC4)O3)C2)c1 253595552 FZTUUTIRZIHIFQ-RBUKOAKNSA-N 331.460 1.927 0 40 EDAB O=C(c1cccnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 257313861 UUJWPRSEOPNBGJ-HNNXBMFYSA-N 325.359 1.390 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257344407 ZXBOFUFVRQXWKN-SFHVURJKSA-N 340.427 1.994 0 40 EDAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)c1cccc(-n2cnnc2)c1 257284649 PDRIJELQHQKAIR-OAHLLOKOSA-N 338.371 1.513 0 40 EDAB CC(C)N1CCN(C(=O)c2cccc(N3CCCC3)c2)C[C@@H]1C(N)=O 257314773 UYJSHGRERHPDDG-QGZVFWFLSA-N 344.459 1.307 0 40 EDAB C[C@@](O)(CCc1ccccc1)C(=O)NC[C@@H]1CN(C2CC2)CCO1 252507669 WRDQZWPRGQSIJP-IEBWSBKVSA-N 332.444 1.350 0 40 EDAB C[C@@H](CNC(=O)N[C@@H]1CCCc2nn(C)cc21)CC1(C)OCCO1 252496365 PHPZKNVMCOLHLB-TZMCWYRMSA-N 336.436 1.886 0 40 EDAB COC(=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3CC(=O)O)cc1 254286868 KZDUKLNPPZGSPK-UHFFFAOYSA-N 339.303 1.754 0 40 EDAB COc1ncccc1C(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 257206837 BFBVPJIIJDCCPE-HNNXBMFYSA-N 342.399 1.765 0 40 EDAB COc1ccc([C@@H]2CN(CC(=O)N3CCCCC3)CCN2C)cc1 257308206 TVVQHFUFEWJCAT-SFHVURJKSA-N 331.460 1.996 0 40 EDAB O=C(Cn1cc(COc2cccc(F)c2)nn1)NCc1ccco1 252509785 YVLUNGQDVKRZAU-UHFFFAOYSA-N 330.319 1.906 0 40 EDAB COc1ccccc1OCC(=O)NCCCc1cnc2ncnn2c1 252551879 UIYLBVAVAINHLA-UHFFFAOYSA-N 341.371 1.261 0 40 EDAB Cc1cccc(C(=O)N2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)n1 257254525 KDMBKRLYPXERAZ-NSHDSACASA-N 334.401 1.146 0 40 EDAB CCO[C@@H]1C[C@](NC(=O)c2cnn3ccc(C)nc23)(C(=O)O)C1(C)C 262824668 QFLKZVXACFZKKW-PXAZEXFGSA-N 346.387 1.426 0 40 EDAB CC[C@H]1CN(c2nnnn2Cc2ccc(C(N)=O)cc2)C[C@@H](CC)O1 1616032148 CXAYEMMQLABRCB-GASCZTMLSA-N 344.419 1.214 0 40 EDAB CC(C)C[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)n1cccc1 575444542 XPDGJADCPAGVEM-AWEZNQCLSA-N 327.450 1.179 0 40 EDAB Cc1nc(C(=O)NC[C@@H]2CO[C@@H]3CN(C(=O)[C@H]4C[C@H]4C)C[C@@H]32)cs1 575403285 GUNVWLICNQNMSO-VWKSAYTASA-N 349.456 1.311 0 40 EDAB Cc1cccc(CC(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1 575604115 QUKUAUJCHFCKOR-UHFFFAOYSA-N 328.420 1.171 0 40 EDAB COC(=O)[C@H](CCC(=O)c1ccn(C)n1)NC(=O)OC(C)(C)C 575410887 JPRFEYYUSSMLEM-NSHDSACASA-N 325.365 1.449 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN[C@H](C)c2ccccc2F)C1=O 26872806 TXSSMCSDOUTYPM-QLJPJBMISA-N 336.367 1.228 0 40 EDAB COCc1nnc2n1CCN(C(=O)Cc1ccc(C)cc1)[C@@H](C)C2 585097772 OJVJEULHXJLZHI-AWEZNQCLSA-N 328.416 1.749 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)Cc2ccncc2)C1 585277864 QMOSBDSOCMUMSZ-IBGZPJMESA-N 326.396 1.975 0 40 EDAB CC(C)S(=O)(=O)N1Cc2ccnn2[C@H](CC(=O)NC2CCC2)C1 585095392 ULBFHNQHJIQLMK-CQSZACIVSA-N 340.449 1.037 0 40 EDAB NC(=O)N1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 585289571 KEOXNXQOSFCWDA-ARFHVFGLSA-N 337.395 1.183 0 40 EDAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)CN3CCCC3=O)[C@H]2O)cc1 585283625 CGSWDRCPBOOLGR-IDHHARJASA-N 346.427 1.252 0 40 EDAB CCn1[nH]c(C)nc1=NS(=O)(=O)c1occc1Br 903638673 JEGWQUWZBHFCLV-UHFFFAOYSA-N 335.183 1.185 0 40 EDAB O=C(NC1CC1)c1cnn2c1CN(C(=O)c1cccs1)CCC2 585110897 WOTVBNJFVISRKK-UHFFFAOYSA-N 330.413 1.883 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@H](c1ccsc1)c1ccco1 675007833 TWSNYYLCGLMYGH-GFCCVEGCSA-N 332.381 1.738 0 40 EDAB NC(=O)c1ccc(COC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 28126892 ORYHBBCDIJZPMD-OAHLLOKOSA-N 340.383 1.535 0 40 EDAB COc1ccc(C(N)=O)cc1NCC(=O)N1CCc2ccccc2C1 69452584 NUHIUWZSXBVIGC-UHFFFAOYSA-N 339.395 1.791 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1cccc2nsnc12 70009902 PCRJJHIETWGZTR-UWVGGRQHSA-N 333.417 1.216 0 40 EDAB Cc1ccccc1C[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 55556707 NVHPXGDBWDGYIK-GFCCVEGCSA-N 329.400 1.360 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccccc2Cn2cccn2)CC1 40477383 ZDJMNESOUNFGGJ-UHFFFAOYSA-N 341.415 1.338 0 40 EDAB C[C@H](CCc1cccn1C)NS(=O)(=O)c1ccc(C(=O)O)nc1 567609621 TVRMORBWQBUPLF-LLVKDONJSA-N 337.401 1.418 0 40 EDAB Cc1cc(C)nc(N2CC[C@@H](Oc3cccnc3)[C@H](CC(N)=O)C2)n1 1615143736 PCBZABFPVNAALD-GDBMZVCRSA-N 341.415 1.638 0 40 EDAB CCc1nn2c(O)cc([C@@H]3CCN(C(=O)c4cc[nH]n4)C3)nc2c1C 12221269 ZDMQKURUDXPJNT-LLVKDONJSA-N 340.387 1.659 0 40 EDAB Cc1nc(O)c2nnn(C[C@H]3CCCN(C(=O)C4CCC4)C3)c2n1 12337288 QQQIZEFKIYEAIR-NSHDSACASA-N 330.392 1.274 0 40 EDAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)C)cc2)CC1 14257842 LAXUTPZCRCAOOS-UHFFFAOYSA-N 348.472 1.824 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCCn1ccnc1 19576291 YPOLZAFFZDWUDM-PMUMKWKESA-N 338.367 1.087 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](n2ccnn2)C1 206934665 ZIPIGTAHFQCWNO-GFCCVEGCSA-N 326.809 1.876 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)c1cccnc1)Oc1ccc(F)cc1 547884681 LMYUWXLSCFZMHJ-CYBMUJFWSA-N 340.332 1.031 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2cc(C(=O)O)ccc2Cl)C1 575929027 KQEODCQWDVILBA-LLVKDONJSA-N 332.809 1.162 0 40 EDAB CN1CCN(C(=O)N2CCC(Oc3ncc(Cl)cn3)CC2)CC1 1888844389 XTCHUJZDUGGWOW-UHFFFAOYSA-N 339.827 1.341 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(c5ncc(F)cn5)C[C@H]4C3)n1)CCC2 1888860201 UZXCHKQQVUDZRD-CHWSQXEVSA-N 340.406 1.775 0 40 EDAB CC(=O)CCC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 1142748776 TVFXVZZJGHIVBQ-UHFFFAOYSA-N 344.411 1.780 0 40 EDAB c1ccc(Cn2nnnc2CN2CCN(c3nccs3)CC2)cc1 21380246 UNJOEGOGWIJLIP-UHFFFAOYSA-N 341.444 1.500 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](c3ncon3)C2)cc1 238863239 LDZZDFUVWSXVGA-NSHDSACASA-N 336.373 1.206 0 40 EDAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(C(=O)CC3CC3)[C@@H]2CN1 2037983653 BJNXTAFBRYJDIQ-IIDMSEBBSA-N 332.375 1.435 0 40 EDAB CC(C)CNC(=O)c1cc2c(CNC(=O)CCF)nn(C)c2s1 1565551506 RHRCDCMAYKKJTQ-UHFFFAOYSA-N 340.424 1.996 0 40 EDAB Cn1cc(C(=O)N2CCC23CN(C(=O)[C@H]2CC[C@H](C)CC2)C3)cn1 2055746413 YUGUXHMVJURJNQ-HDJSIYSDSA-N 330.432 1.673 0 40 EDAB CCCN(CC)C(=O)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055713837 PVKOUPCUXVUVEY-CQSZACIVSA-N 332.448 1.844 0 40 EDAB CCCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055717901 DRKIZWKSZTWAKC-CYBMUJFWSA-N 332.448 1.986 0 40 EDAB Cc1cc(C)n([C@@H](CNC(=O)N2CCNC2=O)c2cccs2)n1 575611029 SXJVZURSOYZROG-LBPRGKRZSA-N 333.417 1.886 0 40 EDAB C[C@H](NC(=O)c1cn(C[C@H](O)c2cccs2)nn1)c1ccncc1 575605672 CJVRFQFRNVTROV-FZMZJTMJSA-N 343.412 1.959 0 40 EDAB O=C(Cn1ccccc1=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 32818379 IOFQUMXCCDDHKN-RYUDHWBXSA-N 332.322 1.855 0 40 EDAB CCN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccccc1 40477272 ANQTXEMESSOHIT-UHFFFAOYSA-N 342.399 1.159 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccccc2)n(C)c1 40476070 JWUSXJURXNXWDS-LBPRGKRZSA-N 335.429 1.766 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)c3ccc(O)nn3)cn2)C[C@H](C)O1 40535802 NRJFEIIJVVPKCI-RYUDHWBXSA-N 343.387 1.121 0 40 EDAB CC(C)N1C[C@H](C(=O)NCCOc2ccc3c(c2)OCO3)CC1=O 40541392 JJUVLHWMTIDHRT-GFCCVEGCSA-N 334.372 1.167 0 40 EDAB Cc1ccc(-n2ccnc2S(=O)(=O)[C@H](C)C(=O)NC2CC2)c(C)c1 40555236 QIXZPINRPLUBGD-CYBMUJFWSA-N 347.440 1.930 0 40 EDAB CN(C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 40527194 OYTAACBPMSJGCD-UHFFFAOYSA-N 337.445 1.286 0 40 EDAB COC(=O)c1ccc(NC(=O)Cn2nc3c(cc2=O)CCCC3)cc1 21110285 QZLOKNHYEVARPN-UHFFFAOYSA-N 341.367 1.547 0 40 EDAB CCc1cccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)c1 32810171 SPTAQIXEYUDJFF-UHFFFAOYSA-N 327.384 1.765 0 40 EDAB C[C@H]1CN(C(=O)CS(=O)(=O)C/C=C/c2ccccc2)C[C@H](C)O1 32929654 ITTXFZTVRVJVTC-AOEIMKSNSA-N 337.441 1.750 0 40 EDAB COCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 32975373 JZNXESHUVUIHGS-UHFFFAOYSA-N 339.351 1.254 0 40 EDAB C[C@@H]1Cc2cc(C(=O)NCc3cnn(C)c3)ccc2N1S(C)(=O)=O 53409795 AMEPQSWPJPDMDR-LLVKDONJSA-N 348.428 1.061 0 40 EDAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)NOCc1ccccc1 53736127 DKUHYRCYCPBOIH-UHFFFAOYSA-N 331.324 1.661 0 40 EDAB CCOC(=O)c1sc2ncn(CC(=O)OC(C)C)c(=O)c2c1C 98267 FPTMTAJFLQERAB-UHFFFAOYSA-N 338.385 1.895 0 40 EDAB Cc1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1nnnn1C1CC1 78556161 YELUQIVMNYAROZ-RULNZOCKSA-N 333.417 1.592 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1nc(-c3cccnc3)no1)CC2 78615576 DSUAWXHUKNCHRM-UHFFFAOYSA-N 338.371 1.267 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CN(C)C[C@@H]2C)cc1OC 78898927 DZHJAXRYIDIBQD-NWDGAFQWSA-N 328.434 1.241 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3nccn4ccnc34)CCO2)n1 78894335 VAZWDSBAMXPKDJ-NSHDSACASA-N 341.375 1.014 0 40 EDAB Cc1cc(C(=O)OCCN2CCN(C(=O)C3CCC3)CC2)c(C)o1 79023970 NELLRSTYVLHHAL-UHFFFAOYSA-N 334.416 1.998 0 40 EDAB O=C(NCCc1nc[nH]n1)c1cc(Cl)cc(Br)c1O 79054390 IEBNKRDNPZBFKJ-UHFFFAOYSA-N 345.584 1.899 0 40 EDAB CSC(=S)O[C@H]1CS(=O)(=O)C[C@@H]1OC(=S)SC 2408775 HWYBLTROVZVYKR-WDSKDSINSA-N 332.515 1.481 0 40 EDAB CCOCCCNc1nnc(S[C@@H](C)C(=O)NC(N)=O)s1 23641616 JLMZONHEHQHPFX-ZETCQYMHSA-N 333.439 1.052 0 40 EDAB Cn1nc2c(cc1=O)CN(Cc1ccn(-c3cccc(F)c3)n1)CC2 72302447 DVCRNVNWWZQNPL-UHFFFAOYSA-N 339.374 1.663 0 40 EDAB O=C(NCc1nnc2ccccn12)N1CCCC[C@H]1c1ncc[nH]1 106519966 GMGOMGYYXNITGH-LBPRGKRZSA-N 325.376 1.889 0 40 EDAB COc1ccc(CN2CCCN(c3ccc4nnnn4n3)CC2)cc1 8707432 DTZZOZTWQZMKPY-UHFFFAOYSA-N 339.403 1.240 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)N1CCCC[C@@H](N2CCCC2)C1 95393980 CPHAOWNFNZPARP-DLBZAZTESA-N 338.496 1.367 0 40 EDAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2N3C(=O)Cc2ccccn2)Nc2ccccc21 100119597 QIPUPJUECPGHCB-GZRFBZBPSA-N 348.406 1.939 0 40 EDAB Cc1cc(Br)ccc1C(=O)N1CCO[C@@H](C(=O)O)C1 43702592 RPEFVNAXAQQGBU-LLVKDONJSA-N 328.162 1.683 0 40 EDAB COC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 9737629 GLADMZWFLIBEHR-QGZVFWFLSA-N 345.355 1.132 0 40 EDAB C[C@@H](O)[C@H](Nc1ncnc2ccc(Br)cc12)C(=O)O 1912288 YIWQPMVXTVANDH-LDWIPMOCSA-N 326.150 1.638 0 40 EDAB O=C(CC[C@H]1NC(=O)NC1=O)N[C@H]1CCSc2c(F)cccc21 57939880 WTOUUUAOFZHXKV-WDEREUQCSA-N 337.376 1.467 0 40 EDAB COC(=O)CN(Cc1ccccc1)C(=O)CCCNC(=O)C1CC1 58183187 WHFZZGRXUFKSQD-UHFFFAOYSA-N 332.400 1.495 0 40 EDAB C[C@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1 58161375 GEMKALVWGVAEKZ-LBPRGKRZSA-N 333.413 1.451 0 40 EDAB CC(C)CNC(=O)CN1CCN(Cc2nc3ccccc3o2)CC1 44890637 NYRIWGICQSAFDE-UHFFFAOYSA-N 330.432 1.718 0 40 EDAB COCCNC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 44890970 WJHUKJGLKXDCND-UHFFFAOYSA-N 346.353 1.969 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCc1cccnc1 44891746 WYFUAGOQNKVIGF-LBPRGKRZSA-N 348.428 1.632 0 40 EDAB NC(=O)NCCC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 48264228 NEEFDXSJJWTREY-UHFFFAOYSA-N 338.839 1.479 0 40 EDAB CN(C(=O)NCCCOCc1ccco1)[C@@H]1CCS(=O)(=O)C1 48261776 AABSPKQITBRFJM-GFCCVEGCSA-N 330.406 1.015 0 40 EDAB CCO[C@H](C)C(=O)Nc1ccc2nc(CN3CCOCC3)[nH]c2c1 58293540 CTIKGVZWAVPESD-GFCCVEGCSA-N 332.404 1.759 0 40 EDAB CCOC(=O)[C@@H](C)Sc1nnnn1-c1cccc(NC(C)=O)c1 58214930 WCHYPSXSDRFJDA-SECBINFHSA-N 335.389 1.664 0 40 EDAB CC(C)c1nn(C)c(N(C)C)c1CN[C@@H](C(N)=O)c1ccccc1 58404158 FNCDDLYQPPXBTJ-MRXNPFEDSA-N 329.448 1.926 0 40 EDAB Cc1ncc(CN2CCC3(CC(NC(=O)c4cccnc4)C3)C2)cn1 108527242 ABEAMAADCDQVCW-UHFFFAOYSA-N 337.427 1.965 0 40 EDAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2nc(Cl)nc(Cl)n2)C1 100608063 KNJJDZGBWDVHNF-IUCAKERBSA-N 338.198 1.964 0 40 EDAB CC(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2nccn2C)CC1 29067694 VAJYVGYNCHNOTM-KRWDZBQOSA-N 340.427 1.884 0 40 EDAB O=C(c1ccccc1Cl)N1CCN(CCN2C(=O)CCC2=O)CC1 45735707 HOHAVSZOJNPATM-UHFFFAOYSA-N 349.818 1.247 0 40 EDAB CN(CC(=O)NCCc1ccccc1F)c1ncnc2[nH]cnc12 45978857 MJXFMEANAXOXHO-UHFFFAOYSA-N 328.351 1.287 0 40 EDAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)O 12884545 BVFKRSWCZDTZRX-BOKHUEBRSA-N 348.424 1.872 0 40 EDAB biogenic COc1nc(C)ccc1C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 95464515 NTBQZLZAOVDGTI-MRXNPFEDSA-N 346.475 1.641 0 40 EDAB CC(=O)N[C@@H](CC(=O)NC[C@H](C)N1CCOCC1)c1cccs1 29961710 UNHJDEYPWMFYJI-JSGCOSHPSA-N 339.461 1.152 0 40 EDAB COc1ncccc1NC(=O)N[C@H]1CCCN(c2ncccn2)C1 47101219 QXBDJOWEQUMTGX-LBPRGKRZSA-N 328.376 1.671 0 40 EDAB O=C1OCCN1CCS(=O)(=O)Cc1coc(-c2ccccc2)n1 48719263 XVIJJBYUULDCIZ-UHFFFAOYSA-N 336.369 1.709 0 40 EDAB CCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1 13371758 NKHQMBIHMLIEOE-KBPBESRZSA-N 349.449 1.073 0 40 EDAB Cc1cc(-c2nnc(SCC(=O)Nc3ccccc3F)n2N)[nH]n1 9109210 JDDSVZZPDBHOBF-UHFFFAOYSA-N 347.379 1.560 0 40 EDAB CCCS(=O)(=O)N[C@H]1CCc2nnc(Cc3ccccc3)n2C1 96000678 APMUXGKHEHAGRX-AWEZNQCLSA-N 334.445 1.513 0 40 EDAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NC2CC2)C1=O 6108519 FOHJZVYTFHNNNU-SFHVURJKSA-N 327.384 1.221 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccc(=O)n(-c2ccccc2)n1 65463046 SZFCLJWWUYMVSI-CYBMUJFWSA-N 335.367 1.174 0 40 EDAB CN(CC1CC1)C(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 65499644 GDAANTKXVXSZFY-CABCVRRESA-N 336.432 1.837 0 40 EDAB CC(=O)N1CCc2cc(NC(=O)CSc3nnc(N)s3)ccc21 14171994 SBKFKPMPILYPBH-UHFFFAOYSA-N 349.441 1.760 0 40 EDAB CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cccnc1OC 65623456 CZVJESKUDXTANW-UHFFFAOYSA-N 347.346 1.883 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NC(=O)C[C@H](C)C2CC2)c1 65612671 OVBZNBBWAFQCNE-JTQLQIEISA-N 325.386 1.714 0 40 EDAB CC(=O)c1cccc(OC[C@H](O)CN2CCN(C(=O)C(C)C)CC2)c1 14244913 KZCMWFOVQGEFGJ-QGZVFWFLSA-N 348.443 1.429 0 40 EDAB CC[C@@H](CNC(=O)c1n[nH]c(=O)[nH]1)Oc1cccc(C(F)(F)F)c1 80038314 JBSBPMLEWFKBRN-VIFPVBQESA-N 344.293 1.704 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 7307841 AQYDXUNBAFLCIV-GFCCVEGCSA-N 348.490 1.794 0 40 EDAB Cc1nnc(S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)n1N 8140122 BBDPKLPXQPDAMQ-VBYSZHOYSA-N 335.477 1.866 0 40 EDAB O=C(NCCc1nnc2n1CCCCC2)N[C@H]1CCCCC[C@@H]1CO 95410826 KUKRJMFFXAHTCS-CABCVRRESA-N 349.479 1.787 0 40 EDAB NC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 8246570 VFBRWWFUSNFCPA-UHFFFAOYSA-N 341.367 1.869 0 40 EDAB COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 8217720 WKJPSLKAEDKMSY-GFCCVEGCSA-N 336.388 1.209 0 40 EDAB COc1ccc(-c2nnc(CN3CCN(C[C@@H](C)O)[C@@H](C)C3)o2)cc1 71864394 KIGZPMQBDFUUQH-UONOGXRCSA-N 346.431 1.632 0 40 EDAB C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)CN(C)C(=O)OC(C)(C)C 71894435 ZYAANEOCNOGKPF-LBPRGKRZSA-N 337.420 1.618 0 40 EDAB CCCCn1nnnc1CN(C)[C@@H]1CCCN(Cc2noc(C)n2)C1 71870495 HROAXNHWLBRXBM-CQSZACIVSA-N 348.455 1.261 0 40 EDAB Cc1nnc2n1CCN(Cc1nc(COc3ccc(F)cc3)no1)C2 69442845 HFRZONUVDLDJMG-UHFFFAOYSA-N 344.350 1.703 0 40 EDAB CN(CC(=O)N1CCNC(=O)C1)Cc1cccc(C(F)(F)F)c1 71810995 DNTOAABODMHAJH-UHFFFAOYSA-N 329.322 1.096 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H]1Cn1cccn1 71866295 UCXBGWHIWRCNSL-CQSZACIVSA-N 347.440 1.982 0 40 EDAB Cn1cc(CC(=O)N2CCC[C@@H](N3CCNC3=O)C2)c2ccccc21 71841631 RXTCASIJDRGMHX-OAHLLOKOSA-N 340.427 1.737 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2n[nH]c(N)n2)c1C 8477146 QIUXHESWDGVSPV-QMMMGPOBSA-N 337.405 1.872 0 40 EDAB O=C(O)[C@@H]1CCC(=O)N(CCNc2ncccn2)[C@@H]1c1ccccc1 69571187 KRXORSUKTQANBJ-GDBMZVCRSA-N 340.383 1.953 0 40 EDAB O=C(Nc1c[nH]ccc1=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 71889036 QWVVUUJOVUMYLS-AWEZNQCLSA-N 325.368 1.866 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)N[C@H](C)C(=O)N(C)C)C2)c1 69655572 RHBFPIUWCUYAGA-ZIAGYGMSSA-N 348.447 1.297 0 40 EDAB CCCSCC(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1 71905677 YCBIGVCBKNBLPM-UHFFFAOYSA-N 348.476 1.464 0 40 EDAB CN1CCCC[C@H]1CN1CCN(C(=O)COc2ccc(F)cc2)CC1 69778541 OTASWNPGPCMGSP-KRWDZBQOSA-N 349.450 1.833 0 40 EDAB O=C(Nc1ccc(CCN2CCOCC2)cc1)N[C@H]1CCCOC1 69810942 CWGNSJPVIALDQU-KRWDZBQOSA-N 333.432 1.862 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 69969512 QVVRWKNGDNPCLF-IEBWSBKVSA-N 346.471 1.648 0 40 EDAB O=C(c1ccc(F)c(F)c1)N1CCC2(CC1)NCCc1nc[nH]c12 8971955 AXXGPBCMNOEILO-UHFFFAOYSA-N 332.354 1.965 0 40 EDAB CCNC(=O)N1CCC(NC[C@@]2(O)CCCc3ccccc32)CC1 97033759 NEGLELRACOGFIM-IBGZPJMESA-N 331.460 1.994 0 40 EDAB O=S(=O)(CCN[C@H]1CCCc2cc(F)ccc21)N1CCOCC1 97033398 CXRSQAKJUJDHIN-INIZCTEOSA-N 342.436 1.455 0 40 EDAB COCCN1[C@H](C)CN(C(=O)C[C@](C)(O)c2ccccc2)C[C@H]1C 97079696 MYPDMRVQRLQGEU-MDZRGWNJSA-N 334.460 1.852 0 40 EDAB COc1ccc([C@H](O)CNC2=NS(=O)(=O)c3ccccc32)cc1 72278053 ROAWQCHNBGJMJN-CQSZACIVSA-N 332.381 1.467 0 40 EDAB CN(C)S(=O)(=O)CC(=O)NCCc1ccc(-c2ccccc2)cc1 97107403 HYSZFFXSHNSHNE-UHFFFAOYSA-N 346.452 1.904 0 40 EDAB O=C(NCCN1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1)C1CCCC1 110582247 HWAYIUKFLRMZJE-SZMVWBNQSA-N 347.503 1.873 0 40 EDAB Cc1nc(NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)sc1C 89562632 UDPCYDCKPSGNPI-UHFFFAOYSA-N 337.405 1.308 0 40 EDAB Cc1[nH]ncc1C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 89544416 VGYFBKSZJMOFTF-INIZCTEOSA-N 328.416 1.391 0 40 EDAB CCc1ocnc1C(=O)N1CCN(C(=O)c2ncoc2CC)[C@H](C)C1 75178739 ANDQJYDMYBTZFX-LLVKDONJSA-N 346.387 1.774 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)c1cn(CCN(C)C)c2ccccc12 89938746 VWYVYUAIVIBZNU-OAHLLOKOSA-N 328.460 1.979 0 40 EDAB C[C@@H](c1ccco1)N(C)S(=O)(=O)c1cccc(-c2nnnn2C)c1 76062160 OGKDRDHJAANOST-NSHDSACASA-N 347.400 1.852 0 40 EDAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C5OCCO5)(O4)[C@@H]3C2=O)cc1C 409277313 BOWHLVUTNMFPIW-BKEDOTJMSA-N 341.363 1.489 0 40 EDAB CN1c2ncccc2C(=O)NC12CCN(C(=O)c1cccnc1)CC2 72347079 FNAPMVPWMNBQFS-UHFFFAOYSA-N 337.383 1.289 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN(CC(=O)NCc3ccccc3)C2)no1 76047301 KSGWIBPENGOHJT-INIZCTEOSA-N 343.431 1.201 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCC(F)(F)[C@@H](C(=O)O)C2)c1 560421216 BYPPNJPXMQKZNU-SECBINFHSA-N 337.348 1.195 0 40 EDAB O=C(Nc1nc(C2CCOCC2)cs1)c1ccc2nn[nH]c2n1 561088401 ZTIJNLLLLFUCFA-UHFFFAOYSA-N 330.373 1.956 0 40 EDAB C[C@H]1CCCN(c2ncccc2C(=O)NCCN2CCOCC2)C1 36740108 SXBAZMBNSAXYFJ-HNNXBMFYSA-N 332.448 1.380 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3ccccc3F)N[C@](C)(C(=O)OC)[C@@H]2C1=O 229994479 UMDOTPGLDWJGAM-MRHIQRDNSA-N 334.347 1.023 0 40 EDAB OC[C@H]1CCC2(CCOCC2)CN1Cc1nc(CC(F)(F)F)no1 528637889 HJCKHCGJGUQPNI-LLVKDONJSA-N 349.353 1.928 0 40 EDAB COc1ccc(C(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)cc1F 225788820 VWEJKAKCZBPWSQ-GFCCVEGCSA-N 331.347 1.215 0 40 EDAB Cc1onc(N)c1S(=O)(=O)NC(=O)C1(C)CCC(F)(F)CC1 529010153 RQGFPURNZPTNGZ-UHFFFAOYSA-N 337.348 1.586 0 40 EDAB O=C(Nc1nncs1)c1ccc(NC(=O)N2CCOCC2)cc1 40285339 LFFYIGVOGLFFJV-UHFFFAOYSA-N 333.373 1.655 0 40 EDAB O=C(NCCC1=CCCCC1)C(=O)NC[C@]1(O)CCc2ccccc21 77180644 QOUWTPZEROAGFM-HXUWFJFHSA-N 342.439 1.943 0 40 EDAB COc1ccccc1C(=O)NCc1ccnc(N2CCOCC2)n1 224215490 PEJYLNBKUIVXFD-UHFFFAOYSA-N 328.372 1.252 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225675264 KBRCZCMXTODKQD-UHFFFAOYSA-N 330.431 1.305 0 40 EDAB O=S(=O)(NCC(F)(F)C(F)F)c1ccc2c(c1)OCCO2 192133878 CYIVCVWXCUSGAS-UHFFFAOYSA-N 329.271 1.637 0 40 EDAB O[C@@H]1CCN(c2ncnc3ccc(I)cc23)C1 95960389 GWHACVGEFQBJPT-SECBINFHSA-N 341.152 1.805 0 40 EDAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1 96405650 AOHPPCBNZDABEV-WFASDCNBSA-N 328.416 1.735 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2csc(-c3ccccc3F)n2)CCO1 583650572 LENSJWAVJZGEEN-LBPRGKRZSA-N 336.344 1.875 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)CCn1cnnn1)c1nc2ccccc2[nH]1 583652576 QPOQMCORBGTGQP-XHDPSFHLSA-N 327.392 1.843 0 40 EDAB Cc1ccc(N2CC[C@@]3(C2)CN(S(C)(=O)=O)CCC3(F)F)nn1 96239774 MNEYLVGXJAUGPB-CYBMUJFWSA-N 346.403 1.282 0 40 EDAB Cc1ccc(CN2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)o1 96159143 NFWDDZPCUWQRFJ-UHFFFAOYSA-N 342.399 1.776 0 40 EDAB CC(C)(C)C(=O)N1CCOC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 96240090 VYGFRCJLBWNTKY-IBGZPJMESA-N 346.427 1.694 0 40 EDAB CN1CCN(Cc2cn3c(n2)CN(Cc2ccncc2)CC3)CC1 96059427 TWRFKKPYZZDNRX-UHFFFAOYSA-N 326.448 1.041 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1 96043008 HDFVQXAGJHJPOE-HRCADAONSA-N 339.399 1.172 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2OCc2nnnn2C)C1 96101376 MLYZLSQKNDZEQZ-STQMWFEESA-N 329.404 1.907 0 40 EDAB COCc1cc(NCC2(CN3CCOCC3)CCCCC2)ncn1 581963627 HTDCNTNKKUIWCV-UHFFFAOYSA-N 334.464 2.318 0 40 EDAB CCN1CCO[C@@H](C(=O)N2CCCN(Cc3ccccc3F)CC2)C1 96444681 OYMBQNFHBIWUBQ-GOSISDBHSA-N 349.450 1.581 0 40 EDAB O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)[C@@H]1COCCO1 585085812 TXTVQQMSLNHMRP-JTQLQIEISA-N 341.289 2.449 0 40 EDAB COCCNC(=O)CNC(=O)[C@H](C)c1ccc(Br)s1 96430504 LAZBQBZDLPHRIX-MRVPVSSYSA-N 349.250 1.493 0 40 EDAB CNC(=O)[C@H]1COC2(CN(Cc3ccccc3F)C2)CN1CC1CC1 247954697 NNASCGIMDQXNHA-QGZVFWFLSA-N 347.434 1.237 0 40 EDAB CN(C)S(=O)(=O)N1Cc2cccn2[C@@H](COCC2CCCC2)C1 247954927 NSUJFCJVCWFGAP-MRXNPFEDSA-N 341.477 1.858 0 40 EDAB Cc1csc2nc(CN3C[C@@]4(C)CN(C)C[C@]4(C)C3)cc(=O)n12 585133740 SVBIJOSOXRICBW-IAGOWNOFSA-N 332.473 1.838 0 40 EDAB O=C(CCn1ccnc1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257249358 JHXAFZKGKMEYKB-QLFBSQMISA-N 326.404 1.412 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257236194 HBDMHSKWCYDMLP-GFCCVEGCSA-N 347.444 1.552 0 40 EDAB CCn1nccc1-c1cc([C@@H]2CCCN2S(C)(=O)=O)nc(C)n1 257255883 KJHDWCDFRJHMQH-HNNXBMFYSA-N 335.433 1.765 0 40 EDAB CCn1nc(C(=O)N2CCOC[C@H]2c2cc(O)nc(C)n2)cc1C 257313687 UTQSSCMEFMXWKE-AWEZNQCLSA-N 331.376 1.229 0 40 EDAB C[C@@]1(O)CCN(C(=O)c2cncnc2)C[C@H]1Oc1cccc(F)c1 257209841 BSCMGPKGFBFJFS-NVXWUHKLSA-N 331.347 1.660 0 40 EDAB CC(=O)n1ccc2cc(C[C@H]3COCCN(CC(N)=O)C3)ccc21 257283603 OYZCFURYQJCWFM-OAHLLOKOSA-N 329.400 1.278 0 40 EDAB CCc1cc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)no1 257248747 JEZWFBIWHLDFOM-QGZVFWFLSA-N 330.388 1.393 0 40 EDAB CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1O 257302495 SDDPYYBMDQPQLF-IAGOWNOFSA-N 336.407 1.256 0 40 EDAB O=C(c1cc(C2CC2)on1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257271950 NALPHBWSKAFKQU-CHWSQXEVSA-N 341.358 1.468 0 40 EDAB CN(C)c1nc([C@@H]2CCN(C(=O)c3cnccn3)C2)cn2nccc12 257316886 VHKRDHSHQUQTHM-GFCCVEGCSA-N 337.387 1.215 0 40 EDAB Cc1cnc(C(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)cn1 257265559 LZEFFMJXVGBOOM-GOSISDBHSA-N 341.415 1.284 0 40 EDAB C[C@](O)(CCc1ccccc1)C(=O)N1CCC[C@H](c2nnc[nH]2)C1 252487666 HZEXPSXNPAJUTI-YJBOKZPZSA-N 328.416 1.895 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2noc3c2CCCC3)CCO1 257340849 ZHTHEWBWOQTGQL-ZDUSSCGKSA-N 343.387 1.599 0 40 EDAB CNC(=O)[C@]1(CCCc2cccc(Br)n2)CCN1C 257197491 AZKYKTDURFJEPE-AWEZNQCLSA-N 326.238 1.987 0 40 EDAB COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)c1ccc(F)cc1Cl 276991203 FBLLLYWGHBJJIS-JTQLQIEISA-N 339.772 1.070 0 40 EDAB Cc1ccc(CCn2nnnc2N2CCC[C@H](C3(C)OCCO3)C2)o1 1616031895 FZTAKQYBRSQQHJ-AWEZNQCLSA-N 347.419 1.797 0 40 EDAB CCOc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 298117953 SMJLIZBWEYHWID-HNNXBMFYSA-N 333.432 1.302 0 40 EDAB Cc1cc(NC(=O)C(=O)NCCCc2cc3ccccc3o2)no1 390828363 ASCJSLPOIJABAD-UHFFFAOYSA-N 327.340 2.417 0 40 EDAB COc1nc(CNC(=O)CSc2ccc(F)cc2)nc(OC)n1 575603348 DSMUFYYKVJQZLF-UHFFFAOYSA-N 338.364 1.436 0 40 EDAB O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ccc(Cl)s1 575414636 PZXUBQILAVPQHW-VIFPVBQESA-N 348.819 1.848 0 40 EDAB CN1C[C@H](COc2cccnc2)CC12CN(C(=O)c1cccn1C)C2 585093781 FVPVSJQWYRDJFE-OAHLLOKOSA-N 340.427 1.645 0 40 EDAB COC[C@]1(CC(N)=O)CN(Cc2ccc(Cl)c(F)c2)CCO1 585277050 FODFLHVYTIICID-HNNXBMFYSA-N 330.787 1.572 0 40 EDAB CCCNC(=O)C1=NO[C@@]2(CCCN(c3nc(C)cc(C)n3)C2)C1 585101245 QQMXCYQHWKHLKT-KRWDZBQOSA-N 331.420 1.735 0 40 EDAB CC(C)(O)C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111233 KNROCXVDTHZTND-OAHLLOKOSA-N 329.400 1.432 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)Cn2ccnc2C)C1 585276937 KSGMONIIJBKUGQ-GOSISDBHSA-N 329.400 1.542 0 40 EDAB O=C(CN1CCC[C@H](c2nc3ccccc3o2)C1)N1CCOCC1 29824782 ICQWLXDEYOMZBE-AWEZNQCLSA-N 329.400 1.866 0 40 EDAB COCCN1CCN(CC(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)CC1 69652615 YSZMMQBPXLVTHE-KSZLIROESA-N 337.508 1.678 0 40 EDAB O=C(Cc1ccc(Cl)cc1)N1CCN(c2cc(O)nc(O)n2)CC1 1775995464 XFIJPNNBZAIATF-UHFFFAOYSA-N 348.790 1.433 0 40 EDAB COc1ccccc1N1CCN(C(=O)CCc2cnn(C)c2)CC1 54799966 WCCCNWCMPNFWAW-UHFFFAOYSA-N 328.416 1.710 0 40 EDAB CS(=O)(=O)NCCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 58245305 NRWUXYHDSSKHLR-LLVKDONJSA-N 348.877 1.932 0 40 EDAB CNC(=O)CN1CCC(NC(=O)C(C)(C)c2ccccc2OC)CC1 58677795 GIFOTHPGGUNNRE-UHFFFAOYSA-N 347.459 1.299 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1CN1CCCCC1 75506313 CIDWRXABSNLLRT-LSDHHAIUSA-N 333.432 1.875 0 40 EDAB Cc1nc(C(=O)N[C@H]2CC[C@@H](C(F)(F)F)N(C)C2)c(=O)[nH]c1C 583619698 KVRLKFXONSZQAU-UWVGGRQHSA-N 332.326 1.142 0 40 EDAB COc1cc(Br)c(/C=C2/NC(=O)N(C)C2=O)cc1OC 8091549 SAKDNIPGWQNGDR-RUDMXATFSA-N 341.161 1.989 0 40 EDAB CNC(=O)C1CCN(CC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)CC1 12333711 NKZJEGZWOOXGRS-LBPRGKRZSA-N 347.415 1.051 0 40 EDAB CC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O 13582510 BSCMWQKELGTPEL-JTQLQIEISA-N 344.433 1.628 0 40 EDAB COC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1 15420053 SQTICUKKXDMCRT-UHFFFAOYSA-N 340.335 1.837 0 40 EDAB Cc1noc(C)c1CC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 17852764 HPUAICTTWDTIBG-SECBINFHSA-N 337.401 1.359 0 40 EDAB Cc1cnc(CCNC(=O)CC2CCN(S(C)(=O)=O)CC2)s1 19748726 BQZVGZUOHBKREJ-UHFFFAOYSA-N 345.490 1.172 0 40 EDAB COc1ccc(-c2noc([C@@H](N)CCS(C)(=O)=O)n2)cc1OC 169676234 QAUWREFPRWDWJA-JTQLQIEISA-N 341.389 1.188 0 40 EDAB COc1cc(OC[C@H]2COC(=O)O2)ccc1OC[C@@H]1COC(=O)O1 627276207 CQBQKTIQVKPFAR-WDEREUQCSA-N 340.284 1.524 0 40 EDAB CCCN(C(=O)/C=C/c1cccc(Cl)c1)[C@@H]1COC[C@@H](O)[C@H]1O 643585405 HJQVMCUNVXKIEP-MJIFEULRSA-N 339.819 1.712 0 40 EDAB O=C(Nc1nc2c(s1)CCCC2)c1cc(N2CCOCC2)ncn1 252478249 AGOGRSCXIBDWMR-UHFFFAOYSA-N 345.428 1.901 0 40 EDAB O=C(CCc1ccccc1F)N1CCC(N2C(=O)COCC2=O)CC1 575605920 BDXYGWCPMFNHDA-UHFFFAOYSA-N 348.374 1.135 0 40 EDAB Cn1cc(C(=O)N2C[C@H]3CCC[C@H](Cc4cnccn4)[C@H]3C2)cn1 1848355689 HDUQOOWPHUTSIX-CKEIUWERSA-N 325.416 1.941 0 40 EDAB Cn1cc(CN2CC[C@@]3(COCC(=O)N(c4ccccc4)C3)C2)cn1 2037978212 IRBKXMBWADTCBN-LJQANCHMSA-N 340.427 1.676 0 40 EDAB CC(C)CS(=O)(=O)NC[C@@H](c1ccoc1)N1CCSCC1 253397098 FJMZMSNRMNFIHS-AWEZNQCLSA-N 332.491 1.945 0 40 EDAB CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)C3(F)CC3)CCO2)C1=O 1565548794 JRVFDIOEZLCAFO-RDTXWAMCSA-N 332.375 1.342 0 40 EDAB COc1cccc(C(=O)Nc2cccc3c2C(=O)NC3=O)c1OC 3307039 XPMYHMGKFILHTK-UHFFFAOYSA-N 326.308 1.840 0 40 EDAB CN(C)c1ccc(CCNC(=O)C(=O)NCc2ccccc2)cc1 11693708 XVVYYJBSIOTVPA-UHFFFAOYSA-N 325.412 1.728 0 40 EDAB CCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(O)c1 15105961 NKWDNAOTLBAZTP-CQSZACIVSA-N 328.376 1.536 0 40 EDAB CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)C1CC1)C2 2055812510 HHIITNWVABFFCP-KRWDZBQOSA-N 347.440 1.324 0 40 EDAB COC(=O)C1CCN(C(=O)c2csc(Nc3ncccn3)n2)CC1 49032147 LRGZPUPFYISKFR-UHFFFAOYSA-N 347.400 1.702 0 40 EDAB Cn1cc(CC(=O)NCCOCCn2cccn2)c2ccccc21 585150542 ZKJQRIDOGUAKFY-UHFFFAOYSA-N 326.400 1.750 0 40 EDAB CCC(CC)C(=O)NCCn1nc([C@@H]2CCNC2)c2nccnc21 19500268 LCMXODQXAXYBDT-CYBMUJFWSA-N 330.436 1.456 0 40 EDAB C[C@H](CO)[C@@H](C)N1CC2=C(C1=O)[C@@H](c1ccccc1)NC(=O)N2C 503829 NROOBIQMBJYJAU-XHBSWPGZSA-N 329.400 1.496 0 40 EDAB C[C@H](NC(=O)c1cccc(-c2ncon2)c1)C(=O)N1CCCCC1 73013366 QXYJCYABTNQIPH-LBPRGKRZSA-N 328.372 1.867 0 40 EDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@H](C)C1 40540277 UZCQOPINFTWGEQ-IAQYHMDHSA-N 333.367 1.152 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)CCCn3cncn3)CC2)cc1 40553317 UFZBJWDUZKZVAE-UHFFFAOYSA-N 341.415 1.610 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)NC[C@H]1CN(CC(C)C)CCO1 32434701 CYMGQIDWRSZJQF-HNNXBMFYSA-N 344.452 1.769 0 40 EDAB CC[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 22097586 KJHMZDOSFOLKMX-AWEZNQCLSA-N 338.473 1.968 0 40 EDAB CC(C)CC(=O)NCCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C 78874963 NVHXENBLVDABHM-UONOGXRCSA-N 325.453 1.445 0 40 EDAB NC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 1339520 OZZVVXPXOFVQNY-UHFFFAOYSA-N 340.318 1.217 0 40 EDAB O=C(Nc1cccc(Br)c1)N1CCN(CCO)CC1 79073020 JERZOHQYLUGHCZ-UHFFFAOYSA-N 328.210 1.591 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cc(=O)n3ccsc3n1)C2=O 3464720 NFFHQVYMTDFETG-HWPZZCPQSA-N 346.412 1.757 0 40 EDAB C[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3520862 ZKTWMMSEGJVISQ-NSHDSACASA-N 348.380 1.518 0 40 EDAB Cc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)c1 24095537 DPRBXROAIJFUAI-OAGGEKHMSA-N 329.396 1.994 0 40 EDAB Cc1nc(CN2CCN(c3cnnc(O)c3Cl)CC2)cs1 54867126 SWXNXTZUZBQHLR-UHFFFAOYSA-N 325.825 1.923 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)c1 7304243 AQLRLIJEZFIVRO-AWEZNQCLSA-N 331.459 1.467 0 40 EDAB COC(=O)[C@@H](CN1CCCC1)[C@](O)(c1nccn1C)C(F)(F)F 24927101 SWNDJQGTXIQNIL-MFKMUULPSA-N 335.326 1.055 0 40 EDAB CC(C)[C@@H](CNC(=O)Nc1nnc(C2CC2)s1)N1CCOCC1 43359773 WVWXRIYVSOMJPW-GFCCVEGCSA-N 339.465 1.894 0 40 EDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc2ccccc2n1 72300579 PJORMBKYEIVKKM-BBRMVZONSA-N 333.457 1.994 0 40 EDAB CC(C)[C@@H](CNC(=O)c1ccc(O)nn1)N1CCc2ccccc2C1 25534441 QJRJFWCCDOKNDO-QGZVFWFLSA-N 340.427 1.995 0 40 EDAB COC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 48071255 LYKNBDJGCVGKRL-UHFFFAOYSA-N 331.199 1.924 0 40 EDAB O=C(CNC(=O)[C@H](c1ccccc1)N1CCCC1)NCc1ccco1 57782548 XBPCMPRWLRTSIK-SFHVURJKSA-N 341.411 1.849 0 40 EDAB COc1ccccc1CN(CCCS(=O)(=O)N(C)C)C1CC1 57872398 CYDLWAGQAOHWIQ-UHFFFAOYSA-N 326.462 1.941 0 40 EDAB O=C(c1cn[nH]c1)N1CCN(c2ccc(Br)cn2)CC1 37841427 VEAKXDMFWHCREF-UHFFFAOYSA-N 336.193 1.530 0 40 EDAB O=C(NCc1ccc(-n2cncn2)nc1)c1cnc2ccccc2n1 48278683 VZMLVBLWIXNMTJ-UHFFFAOYSA-N 331.339 1.536 0 40 EDAB CCNC(=O)CNC(=O)NCc1ccc(N(C)c2ccccc2)nc1 58170990 SCNCJCIBEQHIRX-UHFFFAOYSA-N 341.415 1.785 0 40 EDAB CCOC(=O)C1=C(CNCc2ccccc2OC)NC(=O)N[C@@H]1C 58121276 WTSNBRSHQSWASQ-LLVKDONJSA-N 333.388 1.303 0 40 EDAB CCN(C[C@H]1CCOC1)S(=O)(=O)c1ccc(CNC(C)=O)s1 58292240 GYCKUMAITXLKNU-GFCCVEGCSA-N 346.474 1.431 0 40 EDAB Cn1nccc1C1CCN(Cc2nc(O)c3cnn(C)c3n2)CC1 58297404 CDFMIFCTKMBCPM-UHFFFAOYSA-N 327.392 1.182 0 40 EDAB C[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)[C@@H]1CCCO1 58245428 LKIBFGFJWBUHCM-GWCFXTLKSA-N 347.458 1.473 0 40 EDAB Cn1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1=O 44919091 ATNZWFRIVFSUTF-UHFFFAOYSA-N 326.396 1.864 0 40 EDAB CC1CCN(c2ccc(CNC(=O)C3=NN(C)C(=O)CC3)cn2)CC1 44954304 OPUGRMIHSRYFLQ-UHFFFAOYSA-N 343.431 1.542 0 40 EDAB CN(C[C@@H]1CCCO1)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 58312950 QYCWVDFLYMIQER-LBPRGKRZSA-N 341.367 1.780 0 40 EDAB O=C(C1CC1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 58344106 XSVPZSXGTHHXTR-MRXNPFEDSA-N 328.460 1.852 0 40 EDAB COC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC(F)(F)F)cc1 58363729 PVVCEQOJTYRJDU-JTQLQIEISA-N 341.307 1.739 0 40 EDAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1nc2c(s1)CN(C)CC2 58415165 UVHUJTYHXMXUKD-MNOVXSKESA-N 325.434 1.654 0 40 EDAB CN(Cc1ccccc1F)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 103048165 ZIGDVDADZOFXCI-OKILXGFUSA-N 332.375 1.959 0 40 EDAB Cc1ccccc1Cn1cnc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)n1 102015315 YNGPNBQFLNJWOZ-ZQDZILKHSA-N 338.367 1.302 0 40 EDAB CCONC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 58687331 CCFSZGDDVWMFDO-VIFPVBQESA-N 327.178 1.870 0 40 EDAB COc1ccccc1C(=O)NC(=O)COC(=O)c1ccc(Cl)nc1 3511718 SSHSRAHNXGKZII-UHFFFAOYSA-N 348.742 1.857 0 40 EDAB O=C(NCc1ccco1)[C@@H]1C[C@H]2OCC[C@H]2N(c2ncc(F)cn2)C1 107710957 WXMIMKHHGXRHLE-KCPJHIHWSA-N 346.362 1.509 0 40 EDAB C[C@@H](Sc1nnc(-c2cccnc2)n1C)C(=O)N1CCOCC1 12881779 JLJLYCQXUFFUME-LLVKDONJSA-N 333.417 1.217 0 40 EDAB Cc1csc(=O)n1CCC(=O)N1CCN(Cc2ccncc2)CC1 28694106 ZHYFWLNDDXUVDJ-UHFFFAOYSA-N 346.456 1.348 0 40 EDAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(c2cnccn2)CC1 11545337 CAMJCSUTZYPIQK-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB CC[C@H](C)NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 22618745 HMNDTIKQGAZEBE-JTQLQIEISA-N 348.432 1.469 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2F)C1 20017636 FFKTYHJRBYZPLS-SNVBAGLBSA-N 332.372 1.965 0 40 EDAB CCCc1noc2nc(C3CC3)cc(C(=O)N3CCNC(=O)C3)c12 46738017 IIURYZRIKXDDKN-UHFFFAOYSA-N 328.372 1.625 0 40 EDAB COc1ccc2c(=O)c(C(=O)NCc3nnc4ccccn34)c[nH]c2c1 46762331 KWUURWZXUKNQOG-UHFFFAOYSA-N 349.350 1.509 0 40 EDAB C[C@H](CO)NC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 84640303 AGJCPLCLVYTXDD-LLVKDONJSA-N 335.404 1.960 0 40 EDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)NCCc1cnn(C)c1 46988051 FZDNPRCKDNZFJI-UHFFFAOYSA-N 344.415 1.966 0 40 EDAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 4065461 VDMMKTLDWTWYTG-OAHLLOKOSA-N 348.355 1.623 0 40 EDAB CNC(=O)c1ccc(CN(C)c2cc(OC)nc(COC)n2)cc1 96011481 PQLJEIWUFQENPZ-UHFFFAOYSA-N 330.388 1.628 0 40 EDAB CCOc1cc(CNC(=O)NCCc2cccc(C(N)=O)c2)ccn1 65607325 FXECIYOPLYWLSX-UHFFFAOYSA-N 342.399 1.621 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14268085 NSFLDLOAXYLEKI-UHFFFAOYSA-N 349.350 1.595 0 40 EDAB CCC[C@@H]1C[C@@H]1NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 97049765 VOXCDKDWJRFFPF-HIFRSBDPSA-N 340.493 1.958 0 40 EDAB COCCn1c(-c2ccccn2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 9364757 KBKHOIXZUIHQRK-UHFFFAOYSA-N 343.387 1.251 0 40 EDAB CC(C)NC(=O)Cn1cnc2nc(N3CCC[C@H](C)C3)sc2c1=O 67226251 DMWIPWXQEUHFNR-NSHDSACASA-N 349.460 1.614 0 40 EDAB O=C(CCOc1cccc(F)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269070 WBJYULGQVAAXDM-IAGOWNOFSA-N 336.407 1.652 0 40 EDAB Cc1ccc2nc(NC(=O)CN3CCn4c(C)nnc4C3)sc2c1 72253001 QNBAIXBVSQFECP-UHFFFAOYSA-N 342.428 1.959 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2Cc3ccccc3C(=O)O2)no1 72299032 AYRXYQLGECVJCT-ZIAGYGMSSA-N 327.340 1.823 0 40 EDAB COc1ccccc1OCCC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 72268925 DMMSRZWDAOBOFG-HOTGVXAUSA-N 348.443 1.522 0 40 EDAB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(c3ccccc3)CC1)CS2 7609173 MMSFQSYBWMBQNJ-MAUKXSAKSA-N 345.468 1.789 0 40 EDAB C[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16022289 FWNYGABLTFFVSY-JMPINTBWSA-N 345.374 1.365 0 40 EDAB NS(=O)(=O)CC1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 71896184 LTEIMCHLFNLADP-UHFFFAOYSA-N 336.457 1.706 0 40 EDAB Cc1cnn(CCN[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 71872074 SRVBDULSOKSMHV-ZDUSSCGKSA-N 330.388 1.215 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccnc(N3CCCC[C@H]3C)c2)CC1 71871460 YMYFXKUKBYUUKK-HZPDHXFCSA-N 346.475 1.599 0 40 EDAB C[C@H](OC(=O)CNC(=O)C1CCCCC1)C(=O)NCc1ccccc1 8277752 MQYCTLALQPEFSP-AWEZNQCLSA-N 346.427 1.931 0 40 EDAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCC[C@H](n2cncn2)C1 72234821 OMAFXGZNYJGTQG-GJZGRUSLSA-N 341.419 1.148 0 40 EDAB CCOC(=O)C(C)(C)NCC(=O)Nc1cc(C(=O)OC)ccc1C 70038000 IKLSFKJTDFWPRH-UHFFFAOYSA-N 336.388 1.651 0 40 EDAB Cc1csc(N2CCN(c3cncc(-n4cccn4)n3)CC2)n1 69350079 BPYFYZSQQZZPHR-UHFFFAOYSA-N 327.417 1.754 0 40 EDAB CCOc1ccc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 71908945 KLSVFGGIIHPLDI-KRWDZBQOSA-N 347.459 1.222 0 40 EDAB CC(=O)NCCSc1ccc(S(=O)(=O)N2CCCC2)cn1 8395276 BKJZNSWSOANYCM-UHFFFAOYSA-N 329.447 1.094 0 40 EDAB O=C(Nc1cc(O)nc2nc(Cc3ccccc3)nn12)[C@@H]1CCCO1 17015759 KGCZJHXMTKFDFQ-LBPRGKRZSA-N 339.355 1.538 0 40 EDAB Cc1noc(C)c1CN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cnn(C)c1 69492168 XVVJGRMQRXXNAL-IUODEOHRSA-N 332.360 1.589 0 40 EDAB CCc1noc([C@@H](C)N2CCN(CCC(=O)N3CCCCC3)CC2)n1 69436839 JJDKKVMKXGAHCV-OAHLLOKOSA-N 349.479 1.713 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 69419806 JVGDSXQFWASMCX-LBPRGKRZSA-N 337.426 1.935 0 40 EDAB Cn1cc(NC(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)cn1 72230617 CBGJDYDBYDRFQA-UHFFFAOYSA-N 349.416 1.382 0 40 EDAB C[C@H](NCC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)N(C)C 69585063 VRTNPPCRVXOXJT-YJBOKZPZSA-N 333.476 1.498 0 40 EDAB COCCc1ccc(OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 69744747 BGJQFBLTMQRSIA-UHFFFAOYSA-N 346.427 1.335 0 40 EDAB NS(=O)(=O)NC[C@H]1CCCN(Cc2cccc3cccnc23)C1 69897462 NNXWZYIKPZZMDE-CYBMUJFWSA-N 334.445 1.240 0 40 EDAB CCS(=O)(=O)N(C)c1ccc(C(=O)NC[C@H]2CCCO2)cc1 408705401 DYDGNCMOYRJFBM-CQSZACIVSA-N 326.418 1.381 0 40 EDAB Cn1cc(-c2nc(CN3CCO[C@H](Cn4cncn4)C3)cs2)cn1 69815173 BANDBSNVXITLRU-AWEZNQCLSA-N 345.432 1.036 0 40 EDAB O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCc2nccn2C1 97197724 OCKHVBLNFYIXQB-CQSZACIVSA-N 337.383 1.997 0 40 EDAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 92760257 VNGSFSRGXFDAQC-NEPJUHHUSA-N 326.422 1.060 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)NCc1nc2ccccc2c(=O)n1C 95996757 LULRSTNMORTTDC-VIFPVBQESA-N 343.305 1.517 0 40 EDAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1CC(N)=O 95999845 QDQDOPBHEBZVQV-MRXNPFEDSA-N 328.416 1.407 0 40 EDAB CC(C)N1CCC[C@@H](N2CCN(C(=O)c3cccn3C)CC2)C1=O 95963675 GKJULNBLNQALMJ-MRXNPFEDSA-N 332.448 1.182 0 40 EDAB Cc1cccc(-n2cc(C(=O)N3CCC[C@@H](c4nnn[nH]4)C3)nn2)c1 95976975 AOFJUZGTDBWFJT-GFCCVEGCSA-N 338.375 1.109 0 40 EDAB CN(C[C@H](O)CN1CCCC1=O)[C@@H]1CCCN(c2ccccc2)C1 89340074 FPRJAWBSOWXOEL-MSOLQXFVSA-N 331.460 1.571 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CCN(c3nc(C)ns3)CC2)cc1 75148092 NQLLTWIIXRIJFD-UHFFFAOYSA-N 345.428 1.767 0 40 EDAB C[C@H](CC(=O)c1ccco1)NC(=O)Cc1ccc(-n2cnnn2)cc1 89894718 HQASGBUBMXAOKC-GFCCVEGCSA-N 339.355 1.576 0 40 EDAB O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CC(O)C1 89857594 QWOUHWKHTCIPCK-UHFFFAOYSA-N 326.381 1.813 0 40 EDAB CC(C)[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1F 89891095 XIYMXEVRIUAZNI-SNVBAGLBSA-N 340.214 1.883 0 40 EDAB O=C(NC1CCN(c2ncccn2)CC1)c1cc2c([nH]c1=O)CCC2 89884831 DKPIZKMDFANRIN-UHFFFAOYSA-N 339.399 1.052 0 40 EDAB COCCCNS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 22526383 AAYCNTREUUEZCB-UHFFFAOYSA-N 342.417 1.137 0 40 EDAB CN(C)CCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 78701503 CZSHMIYDJWCQDS-UHFFFAOYSA-N 337.729 1.975 0 40 EDAB COc1cccc(OC)c1CC(=O)Nc1c[nH]nc1[C@@H]1CCNC1 1549729469 DYMMDLFUHSMSDY-LLVKDONJSA-N 330.388 1.685 0 40 EDAB Cn1cnc(S(=O)(=O)N[C@@H](C(=O)O)c2ccc(Cl)c(F)c2)c1 547938948 QEGISXUQRFUCJN-LLVKDONJSA-N 347.755 1.317 0 40 EDAB Cn1cc(CN2Cc3cncn3[C@H](C(=O)NCc3ccco3)C2)cn1 306132650 LOJFOXXCUYHIMW-INIZCTEOSA-N 340.387 1.083 0 40 EDAB O=C1CCc2ccc(OCc3noc(C(=O)N4CCCC4)n3)cc2N1 32104634 VYROMKQSDJAVFO-UHFFFAOYSA-N 342.355 1.769 0 40 EDAB CCN(CC(=O)NCCC(C)C)S(=O)(=O)c1ccc(OC)cc1 39985235 PXFRMPQCJYXRNW-UHFFFAOYSA-N 342.461 1.868 0 40 EDAB CC[C@@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1cccc(OC)c1 71405381 POQNWWRYPLHMQK-SNVBAGLBSA-N 336.373 1.389 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1 73829121 MLHOYIJCDRWHCR-KBPBESRZSA-N 347.440 1.828 0 40 EDAB CCOC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326487 DEBKXGYHLZMXJL-KZULUSFZSA-N 345.399 1.502 0 40 EDAB Cc1cc2c(NCCC(=O)NCCN3CCOCC3)ncnc2s1 31868848 RMGHMKUGRGBHQK-UHFFFAOYSA-N 349.460 1.250 0 40 EDAB NC[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218577171 RDDKBKLXRXKVJK-JYJNAYRXSA-N 336.844 1.936 0 40 EDAB O=C1CN(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CN1CC(F)(F)F 565986172 QRYMFAIKIYLJFE-IACUBPJLSA-N 339.317 1.698 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)C1 72241776 INGGGXHTVKVKEX-DQYPLSBCSA-N 334.391 1.983 0 40 EDAB COCCN1CCC[C@@H](c2cc(CCC(=O)N(C)C)nc(C)n2)C1 72366996 SDKCITCZLGPXHG-OAHLLOKOSA-N 334.464 1.632 0 40 EDAB CCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 33764011 CQYONZZZSWRRNF-LBPRGKRZSA-N 328.434 1.587 0 40 EDAB O=C(NCc1cccc(-n2ccnc2)c1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 566051685 RLMSQVSWVRAKIV-WNRNVDISSA-N 336.395 1.967 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)c1ccc(F)cc1 77264407 BRPAPPOOFUQKLQ-KURKYZTESA-N 344.386 1.474 0 40 EDAB biogenic,in-vitro COC(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)c1 223632390 DBWREZBHOCQPQE-ZIAGYGMSSA-N 327.402 1.397 0 40 EDAB COc1cc(Cl)c(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OC 40485562 JLKBYUAPBORAPZ-MRVPVSSYSA-N 333.793 1.730 0 40 EDAB CC[C@@]1(CO)CCCN1C(=O)N[C@@H]1CCN(c2ncccc2F)C1 190904763 ZKWIIELUNFNIGI-DYVFJYSZSA-N 336.411 1.746 0 40 EDAB Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)N1CCC[C@H](C(=O)O)C1 568877362 BAMIGTDHYUWJBO-CABZTGNLSA-N 345.421 1.026 0 40 EDAB C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 195571934 PYWGKNBGMBEGCL-NKGKWGDASA-N 343.471 1.811 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(F)c2)n(C)c1 48300599 PSFGBOYWRNRUNX-JTQLQIEISA-N 339.392 1.563 0 40 EDAB O=C1[C@H](Nc2ccc(-n3cncn3)cc2)CCN1CC(F)(F)F 81152159 MGZCQMZGLVGRER-GFCCVEGCSA-N 325.294 1.842 0 40 EDAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3cccnc3)ccc21 225673482 AFEGDDWNQRMZIX-UHFFFAOYSA-N 335.410 1.474 0 40 EDAB CC(=O)N1CC(NC(=O)c2cc(F)cc(Br)c2O)C1 195577516 AFWMQZYYGPRUQN-UHFFFAOYSA-N 331.141 1.254 0 40 EDAB Cc1cccc(CN2CCOC[C@]3(C2)CN(CC2CC2)C(=O)CO3)n1 96241212 XGVALRHTXAACMI-IBGZPJMESA-N 345.443 1.230 0 40 EDAB COCC(=O)N1CCn2c(COCc3cccc(C)n3)cnc2[C@@H]1C 96109881 WVHIPZMKBWPCEI-AWEZNQCLSA-N 344.415 1.853 0 40 EDAB Cc1nnc(C[C@@H]2C[C@H]3CN(C(=O)Cc4ccccc4F)C[C@H]3O2)o1 96209905 PQFJGRBFWRJZJD-OFQRWUPVSA-N 345.374 1.918 0 40 EDAB CC(C)N(C)Cc1cncc2c1CCN(C(=O)N1CCOCC1)C2 96189471 CQWGKGMJSOTVFZ-UHFFFAOYSA-N 332.448 1.732 0 40 EDAB O=C(N1CCCC1)N1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 96055189 FIOWMKFBZLJTJF-QZTJIDSGSA-N 344.459 1.820 0 40 EDAB O=C(C1CC=CC1)N1CC[C@]2(CCC[C@@H](CN3CCOCC3)O2)C1 96208519 ZHSYVJZZSLJXLJ-PKOBYXMFSA-N 334.460 1.825 0 40 EDAB CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NC[C@H]1CN(C)CCN1C 96431009 NPRPKGCZBBVCMA-NXOAAHMSSA-N 325.497 1.722 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(c1ccncn1)C2 96238230 MCCCEXJTIRMGOK-INIZCTEOSA-N 329.429 1.466 0 40 EDAB Cc1nc(CO[C@@H]2CN(Cc3cnn(C)c3)[C@@H]3COC[C@H]23)cs1 96055878 LNFQTAFSZKUETC-ARFHVFGLSA-N 334.445 1.601 0 40 EDAB O=C(c1ncccc1O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 97377950 GGVLQLDYQFLMKM-UHFFFAOYSA-N 337.383 1.622 0 40 EDAB CC(C)[C@@H](C(=O)NC1CCN(C)CC1)S(=O)(=O)C1CCCCC1 96445223 DXIFQYYPAAIYGC-INIZCTEOSA-N 344.521 1.969 0 40 EDAB Cc1nc(CN2CCC3(CC2)C[C@@H]3C(=O)N2CCOCC2)cs1 96227804 KGNSLOUIVKYMPB-OAHLLOKOSA-N 335.473 1.912 0 40 EDAB O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cn(CC(=O)N2CCCC2)nn1 95401247 CLSHCUHOQYEAGZ-LSDHHAIUSA-N 345.447 1.599 0 40 EDAB COCC(=O)N1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 96160977 BGPAQGOZDJZHOU-CRAIPNDOSA-N 334.416 1.642 0 40 EDAB O=C([C@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21)N1CCC(F)CC1 96040779 QSFISASBVVANOH-OIISXLGYSA-N 336.407 1.935 0 40 EDAB CCOC[C@H]1CN(C(=O)c2cscn2)Cc2nnn(CC3CC3)c21 96045625 YPFBNBMFFCHGPH-GFCCVEGCSA-N 347.444 1.921 0 40 EDAB CN(Cc1ccccn1)[C@H]1CO[C@@]2(CCN(c3nncs3)C2)C1 248090875 FLGFDEUPSZUOFA-ZBFHGGJFSA-N 331.445 1.803 0 40 EDAB Cc1noc(CNC(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)n1 244983853 ITZLVTPDELWMRN-JTQLQIEISA-N 338.751 1.524 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccnc(C)n3)CCO2)n1 257297528 RHQXPIJDTCEXHP-QGZVFWFLSA-N 341.415 1.768 0 40 EDAB O=C(c1cccnc1)N1CCc2nc(C3CCNCC3)nc(O)c2C1 257291435 QGYXAIKEXZQLCB-UHFFFAOYSA-N 339.399 1.243 0 40 EDAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(C)nc(C)n2)C1 257294193 QSZYZZRCXNKAFJ-CQSZACIVSA-N 328.438 1.053 0 40 EDAB Cc1nccc(C(=O)N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)n1 257319709 VTSMXELHBSTMSC-WMZOPIPTSA-N 345.374 1.969 0 40 EDAB Cc1ncc(-c2nccnc2[C@@H]2CCCN(S(C)(=O)=O)C2)n1C 257329600 XKRVAGFSSCYBNE-GFCCVEGCSA-N 335.433 1.325 0 40 EDAB Cc1cccc(C)c1-n1nnnc1[C@H](NN1CCOCC1)C(C)C 255187294 COKCYHGTJZBATN-OAHLLOKOSA-N 330.436 1.813 0 40 EDAB Cc1nn(C)c(OC[C@H]2CCCCO2)c1C(=O)NCc1cncn1C 585085252 AFSOISJFXVBVEI-CQSZACIVSA-N 347.419 1.340 0 40 EDAB CCCCS(=O)(=O)N1CC[C@@H](CNc2nccnc2OCC)C1 585080324 KNMLBZCHXDMXCM-ZDUSSCGKSA-N 342.465 1.739 0 40 EDAB Cn1cc(Cl)cc1C(=O)NC[C@@H]1CN(c2nncs2)CCO1 585079602 KUULPHNCUVMAFI-SNVBAGLBSA-N 341.824 1.165 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 585090347 XJNYUEYDSDEDOA-CJNGLKHVSA-N 336.407 1.494 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)[C@@H]2COCCO2)C12CCC2 585112848 DYODYJGMDCRENF-YNEHKIRRSA-N 340.420 1.354 0 40 EDAB CC(C)C[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 585121104 GFAZMFXBLGAJSU-BXUZGUMPSA-N 337.395 1.350 0 40 EDAB CCO[C@@H]1C[C@@H](Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)[C@H]1OC 585117699 SZLCUTYCLNVBDR-BRSBDYLESA-N 347.459 1.741 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)c2cccc(OC)c2)C1 260751930 WKXXIIDRCHXEQF-ZDUSSCGKSA-N 340.445 1.720 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)C1CCN(Cc2ccccc2)CC1 63304705 YSDULCVOKAWLOX-UHFFFAOYSA-N 331.460 1.882 0 40 EDAB C[C@H](NC(=O)C(F)(F)[C@@H](O)c1ccccc1)[C@H]1CN(C)CCN1C 1615586783 PDTMPFMZIOYVMX-CFVMTHIKSA-N 341.402 1.106 0 40 EDAB Cc1ncc(C(=O)N2CC[C@@](O)(COc3ccccc3C)C2)c(O)n1 585276099 JTJDTZQXVHRZTP-SFHVURJKSA-N 343.383 1.455 0 40 EDAB Cc1cc(N[C@@H]2C[C@@H](C(=O)O)C[C@@H]2O)n2nc(C(F)(F)F)nc2n1 662895031 CHGUVWDVMBIDAQ-PRJMDXOYSA-N 345.281 1.088 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)c3cncnc3C)CCO2)c1 585277192 KWYOLLSPBXHMPW-IBGZPJMESA-N 341.411 1.540 0 40 EDAB CC1(C)NC(=O)N(CCCC(=O)N2CCC[C@H](C(F)(F)F)C2)C1=O 65495047 AKRRAFUESSZYEP-JTQLQIEISA-N 349.353 1.898 0 40 EDAB C[C@@H](NC(=O)Nc1c[nH]nc1-c1nccs1)[C@@H]1CN(C)CCN1C 1548606540 KUBNFLPSEXVAFB-PWSUYJOCSA-N 349.464 1.289 0 40 EDAB Cc1ccc(F)cc1NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 67557400 BEZAVGBVBFXZFM-GFCCVEGCSA-N 329.397 1.680 0 40 EDAB O=C(c1ccccc1F)N1CCC(CNS(=O)(=O)C2CC2)CC1 43962396 ZXNCBHXSOPZREX-UHFFFAOYSA-N 340.420 1.760 0 40 EDAB CCOCCCC(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1 44942709 FIUBZEOOXPWGLB-UHFFFAOYSA-N 349.479 1.465 0 40 EDAB CC[C@H](COC)NC(=O)N1CCn2c(nnc2-c2ccccc2)C1 74370236 BAZOHMVEOONMNW-CQSZACIVSA-N 329.404 1.895 0 40 EDAB O=C(NCc1noc2c1COCC2)c1cc(=O)c2ccccc2o1 1538297654 OZNXHLBEDSVWMI-UHFFFAOYSA-N 326.308 1.784 0 40 EDAB COC(=O)Nc1cccc(C(=O)NC[C@@H](CO)Cc2ccccn2)c1 83891499 RAUYAAYPZHMXMC-ZDUSSCGKSA-N 343.383 1.841 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CCO[C@@H]2CCCC[C@H]21 40553807 FLICBEPLHQPZEN-HZPDHXFCSA-N 327.384 1.567 0 40 EDAB Cc1noc(C)c1CCNS(=O)(=O)c1cnc2c(c1)c(C)nn2C 107310360 FVNXTNLOZRFMHM-UHFFFAOYSA-N 349.416 1.403 0 40 EDAB C[C@@H](CC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1)CN(C)C 1616038252 ZVNFQGBDGBCARN-DLBZAZTESA-N 347.507 1.296 0 40 EDAB O=C(c1cncnc1)N1Cc2ccccc2OC[C@H]1Cn1ccnc1 12128294 IKDJHDNLXPEFDK-MRXNPFEDSA-N 335.367 1.777 0 40 EDAB CS(=O)(=O)c1snnc1[C@@H]1CCCN(C(=O)c2ccco2)C1 12730374 IGLILOKZBZNSRR-SECBINFHSA-N 341.414 1.554 0 40 EDAB CCn1nnc2c(N3CCN(C(=O)c4ccccc4)CC3)ncnc21 13533034 GDEZVGHRCMSHHR-UHFFFAOYSA-N 337.387 1.204 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccc(C)c(C)c3)N2N1 14607170 IIIZOMQUGVWXQQ-ZDUSSCGKSA-N 327.388 1.558 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 17301967 PSGFKWHGWDHYAI-UHFFFAOYSA-N 334.353 1.576 0 40 EDAB O=C(CCn1cnnn1)NCC1(c2ccccc2F)CCOCC1 19347966 MKXPOKBLOWDNQU-UHFFFAOYSA-N 333.367 1.067 0 40 EDAB COc1cc(OC)c(OC)cc1CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1C 19575220 YSLQVUOJLZKJEI-VHDGCEQUSA-N 336.432 1.352 0 40 EDAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2[C@H]3CC[C@H]2COC3)cc1 101467025 ZYGOKBUOOLOFAM-GJZGRUSLSA-N 337.441 1.801 0 40 EDAB COc1ccc(O[C@@H]2CCN(S(=O)(=O)C3CCCCC3)C2)nn1 225442187 XFYKWJKEMXXFDN-GFCCVEGCSA-N 341.433 1.601 0 40 EDAB Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)C3(N)CCCC3)[C@H]2O)cc1 643584956 BKNZBXANQFJKEX-DJIMGWMZSA-N 332.444 1.901 0 40 EDAB COc1ccc(NC(=O)c2ccc3c(=O)n(C)n(C)c(=O)c3c2)cc1 12427755 OIBMRINDQXMOEI-UHFFFAOYSA-N 339.351 1.498 0 40 EDAB Cc1nnc(N2CC(NC(=O)c3cccc(-n4cccn4)c3)C2)s1 1888882279 QZDDEMZJEWPWBF-UHFFFAOYSA-N 340.412 1.651 0 40 EDAB Cc1noc(C)c1CC(=O)NC[C@H](O)c1ccc(-n2cccn2)cc1 1888890986 LCGBAFNLBDIVFU-KRWDZBQOSA-N 340.383 1.869 0 40 EDAB O=S(=O)(C1CCCCC1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1259810621 CGEFNUMUYAYYFP-ZIAGYGMSSA-N 336.461 1.507 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1ccnc(O[C@H]2CCOC2)c1 244986275 JNPJASPPZLEHOT-AWEZNQCLSA-N 342.351 1.908 0 40 EDAB COCCOc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)ccn1 245170775 XFXPZCZOGRUCRK-UHFFFAOYSA-N 340.343 1.335 0 40 EDAB O=C(Cn1ccccc1=O)N1[C@H]2CC[C@H]1CN(Cc1cccnc1)C2 1018256123 PCAXHXFJBHJWLP-IRXDYDNUSA-N 338.411 1.119 0 40 EDAB COCCN1CCC[C@]12CCCN(C(=O)c1cc(OC)no1)CC2 1614947413 GWDKSPLWNAACNR-KRWDZBQOSA-N 337.420 1.790 0 40 EDAB COCCn1ncc2c1COC[C@@H]2CNC(=O)CCc1ccc[nH]1 1565554079 JMDQTNPCCNLLSR-ZDUSSCGKSA-N 332.404 1.220 0 40 EDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)CCc3ccc[nH]3)CC[C@@H]21 1565549842 GCMPSACBOIFMNM-ROUUACIJSA-N 348.491 1.201 0 40 EDAB Cn1cccc(C(=O)N2C[C@@H]3CCN(Cc4cccnc4)[C@@H]3C2)c1=O 1565542877 ZYSDDINTTBPZCO-DOTOQJQBSA-N 338.411 1.127 0 40 EDAB COC1(CC(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)NCC3CC3)C2)CCC1 1565554175 SREYAXZLOLOPHW-RBSFLKMASA-N 336.432 1.088 0 40 EDAB O=C(CN1C(=O)CCC1=O)Nc1nc2c(s1)CCc1ccccc1-2 567782 CEKZYUOIWSSUKC-UHFFFAOYSA-N 341.392 1.996 0 40 EDAB COc1ccc(NC(=O)CSc2cc(C)[nH]c(=O)n2)cc1OC 4314624 HRVXLXMYWCQVFB-UHFFFAOYSA-N 335.385 1.826 0 40 EDAB CCN1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 5187474 JJLRCAPBNBVVSP-INIZCTEOSA-N 344.459 1.756 0 40 EDAB O=C(NCc1cccnc1)c1ccc(=O)n(Cc2cccc(F)c2)n1 11781356 IYRSJSBUTDHWGL-UHFFFAOYSA-N 338.342 1.756 0 40 EDAB COc1cccc(NC2(C(=O)N(C)C)CCN(C(=O)C3CC3)CC2)c1 2055750708 RSJNDAIPUOEADW-UHFFFAOYSA-N 345.443 1.967 0 40 EDAB Cc1noc(C[C@]23COC[C@H]2CN(C(=O)c2cc(C4CC4)on2)C3)n1 2055756337 DJMDLWFWDBITLR-PXAZEXFGSA-N 344.371 1.575 0 40 EDAB COc1cc(C(=O)O[C@H]2[C@H]3C=CO[C@H](C)[C@H]3[C@@]3(CO)O[C@H]23)ccc1O 100230903 DVELQCYNMSLGKX-VJAMDVIASA-N 348.351 1.235 0 40 EDAB O=C(Cc1ccsc1)N[C@H]1CCN(c2nccn3cnnc23)C1 575616176 IPRMMYKKHWUWGV-LBPRGKRZSA-N 328.401 1.123 0 40 EDAB Cc1nnc2ccc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)nn12 585603353 QHACZNBVQZZECJ-UHFFFAOYSA-N 337.387 1.003 0 40 EDAB O=C(NC[C@@H](OCCO)c1ccsc1)c1ccc2c(c1)OCO2 575619494 GERLOHFYSSUKLH-OAHLLOKOSA-N 335.381 1.957 0 40 EDAB O=C(C1CN(c2ncc(Br)cc2F)C1)N1CCOCC1 2298041258 WTJLXXJZERHCNC-UHFFFAOYSA-N 344.184 1.278 0 40 EDAB C[C@H](CNC(=O)Cn1cnc(C#N)n1)c1nc2ccccc2s1 50247552 GYUZQDOHFOSGHA-SNVBAGLBSA-N 326.385 1.679 0 40 EDAB C[C@H](Sc1n[nH]c(=O)n1C)C(=O)N[C@@H]1CCCc2ccccc21 40161930 XRSQRQQSHGUUSI-GXFFZTMASA-N 332.429 1.783 0 40 EDAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N1CCO[C@H]2CCCC[C@H]21 50599919 GWRIZLGMALAHPZ-KGLIPLIRSA-N 349.383 1.583 0 40 EDAB CN(CC(=O)N1CCC([C@H](O)c2ccccc2)CC1)c1cnccn1 31271512 LPAGDNKOGXNSTF-LJQANCHMSA-N 340.427 1.885 0 40 EDAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(=O)[nH]n2)c1 40541786 HWYJHJFDMJEMNT-NSHDSACASA-N 328.372 1.228 0 40 EDAB Cc1nc2nc(SCC(=O)NCC(F)(F)F)nn2c(C)c1C 40539718 NLGXGMOSCFZNHB-UHFFFAOYSA-N 333.339 1.820 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1 32667549 YKDXBUXIYFNSJJ-UHFFFAOYSA-N 333.413 1.239 0 40 EDAB Cc1ccc(OCC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c(C)c1 32986127 JAFHDLHUTAIOFM-KRWDZBQOSA-N 340.379 1.962 0 40 EDAB NC(=O)[C@@H]1CCN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 52961161 HXXJOMJPYOQUAT-LLVKDONJSA-N 345.321 1.009 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)N2CCc3sccc3C2)CC1 22238005 OELIUBYNSPIXOR-UHFFFAOYSA-N 328.459 1.304 0 40 EDAB C[C@H]1CN(CCNC(=O)Cn2ccc(C(F)(F)F)n2)C[C@H](C)O1 42031849 RMIONYAKRNUKKG-QWRGUYRKSA-N 334.342 1.127 0 40 EDAB CCCNC(=O)CNC(=O)c1cnn(Cc2ccccc2Cl)c1 22692423 QSDMLUDEVCUHNW-UHFFFAOYSA-N 334.807 1.841 0 40 EDAB CCOC(=O)C1=C(CN2CCCCc3ccccc32)NC(=O)NC1 72308619 JBWLBKJSCWMEPQ-UHFFFAOYSA-N 329.400 1.959 0 40 EDAB COCCNC(=O)CCNC(=O)C1(c2ccc(C)c(OC)c2)CC1 71185385 UVYIRVPXAYQMSH-UHFFFAOYSA-N 334.416 1.304 0 40 EDAB CC[C@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1cccs1 78904788 RLEGPMWJIVRMCD-ZDUSSCGKSA-N 347.444 1.991 0 40 EDAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2=NN(C)C(=O)CC2)C1 54224689 IEGNNORQJAHHQV-HIFRSBDPSA-N 328.416 1.546 0 40 EDAB O=C(NCCc1nnc2n1CCCCC2)N1CCN(CC2CC2)CC1 79955551 XYOMINFBMXMIMT-UHFFFAOYSA-N 346.479 1.284 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCc1cccs1 23483730 NPXRWKYEVATSCP-KBPBESRZSA-N 332.425 1.748 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N3CCCC[C@@H]3C)nc2n1 3542246 ZULOBGFJFRFKDC-NSHDSACASA-N 331.376 1.299 0 40 EDAB COc1cccc(CN(C)S(=O)(=O)N2CCCCC2)c1OC 42668987 NSBFENXZRPINPQ-UHFFFAOYSA-N 328.434 1.866 0 40 EDAB COc1cccc(-n2c(SCC(N)=O)nc3c(c2=O)SCC3)c1 4358897 LUJYUCHAYHXBDG-UHFFFAOYSA-N 349.437 1.467 0 40 EDAB CCNC(=O)NC(=O)CSc1nnc(C)n1-c1cccc(C)c1 4500556 NRWUQECPJDLLMD-UHFFFAOYSA-N 333.417 1.822 0 40 EDAB CN(CCCOc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 42870922 GDKIFTAKJPNFTM-CYBMUJFWSA-N 326.418 1.284 0 40 EDAB C[C@@H](C(=O)Nc1nccs1)N1CCC(Nc2cccnn2)CC1 105805299 QGXROIBZVBQZJR-NSHDSACASA-N 332.433 1.837 0 40 EDAB COC[C@@H](C)NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 6876261 KPGKLGPYVLFFRM-LLVKDONJSA-N 348.355 1.738 0 40 EDAB Cn1c(=O)c2cc(C(=O)Nc3cccc(F)c3)cnc2n(C)c1=O 24833562 CKJMEAUCCTYTEN-UHFFFAOYSA-N 328.303 1.024 0 40 EDAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1c(=O)cnc2ccccc21 106573581 AJJQJRHSLRILMF-CABCVRRESA-N 342.443 1.633 0 40 EDAB COc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1OC 106838856 MKWCOAOAWIWWQC-GJZGRUSLSA-N 349.431 1.366 0 40 EDAB CC[C@H]1CN(CC(=O)Nc2nc(C)c(C)s2)CCN1C[C@H](C)O 106868224 ZJEIPKUMUQHRBK-FZMZJTMJSA-N 340.493 1.475 0 40 EDAB CCCn1c(N)c(-c2csc(-c3ccco3)n2)c(=O)n(C)c1=O 25204751 XGLPHCVYILNBNQ-UHFFFAOYSA-N 332.385 1.923 0 40 EDAB O=S(=O)(Cc1ccc(F)cc1)N1CCN(c2nccs2)CC1 25371853 HNLASWHQNWBASU-UHFFFAOYSA-N 341.433 1.934 0 40 EDAB C[C@H]1COCCN1[C@H](C)CNC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 107357454 SWSOGFMXMOMHJK-PMPSAXMXSA-N 349.479 1.103 0 40 EDAB Nc1nc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)nc2ccccc12 108496368 XLZYZOLGSYMBIQ-SWLSCSKDSA-N 325.416 1.703 0 40 EDAB CS(=O)(=O)NCC(=O)NCc1cccc(OC2CCCCC2)c1 95396176 KYBDEYZBJNVMLY-UHFFFAOYSA-N 340.445 1.564 0 40 EDAB CC1(C)[C@@H]2CC[C@@]3(C)C(=O)N(NC(=O)c4ccc(O)cc4)C(=O)[C@@]213 100899013 PEIVWBQRMKASBC-IGNZVWTISA-N 328.368 1.848 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCN(CCN3C(=O)CCC3=O)CC2)c1 27452093 UBCHGAVEYYKKKA-UHFFFAOYSA-N 343.427 1.210 0 40 EDAB C[C@@H]1c2ncc(CNC(=O)c3ccno3)n2CCN1C[C@H]1CCOC1 107218929 FGKKPEVYPJWIAQ-CHWSQXEVSA-N 345.403 1.214 0 40 EDAB CCn1c(N)c(C(=O)CN(C)c2ccc(C)c(C)c2)c(=O)[nH]c1=O 58297583 IGTUORJOTCZMAH-UHFFFAOYSA-N 330.388 1.075 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)c3cnn(C)c3C)cn2)CC1 44953194 HHGJIYGSCPFKHZ-UHFFFAOYSA-N 342.447 1.195 0 40 EDAB O=C(NCCNc1ncccn1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 44942904 BVSCDUDJMVTTQB-OAHLLOKOSA-N 339.399 1.053 0 40 EDAB CCN(CCO)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 44968621 QLVWJZGCGVVJIE-ZIAGYGMSSA-N 336.436 1.219 0 40 EDAB COc1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100081449 CDLYCZQEQLFGTO-GREKMHCPSA-N 326.352 1.441 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(c2ccnc3ccncc23)CC1 72313872 AXJRLNWRYZMSAT-ZDUSSCGKSA-N 325.416 1.419 0 40 EDAB O=C(Cn1cc(Cl)ccc1=O)N1CCN(c2ccccc2F)CC1 23213132 LVYUXWREUONHBF-UHFFFAOYSA-N 349.793 1.990 0 40 EDAB CCNC(=O)c1ccc(CNCc2c(C)nn(C)c2N(C)C)cc1 58405375 OHINNHYSXBROHD-UHFFFAOYSA-N 329.448 1.834 0 40 EDAB COc1ccc(CCN2CCN(C(=O)[C@H](C)n3cncn3)CC2)cc1 58418073 MXGWCLYIRGGKCF-HNNXBMFYSA-N 343.431 1.235 0 40 EDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCc1cccs1 3390398 TVEUKYITFVJIIW-UHFFFAOYSA-N 335.385 1.098 0 40 EDAB Cc1nc(CNC(=O)NC[C@@H](C(C)C)N2CCOCC2)cs1 45342344 KFYNNNARCZEMNL-AWEZNQCLSA-N 326.466 1.608 0 40 EDAB CCCCN1CC(=O)N(c2ccc(C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 54278102 WBJFPZVFKGHZJW-JKSUJKDBSA-N 336.457 1.609 0 40 EDAB C[C@H](NC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccn1 48363098 WDGZDHHWUKNVPJ-NEPJUHHUSA-N 348.428 1.850 0 40 EDAB CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 2429165 ZVKIQMLVOPYBRU-NHAYFPRASA-N 341.407 1.964 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)c(F)c1 46121037 FJSJDUOKVOCDST-CYBMUJFWSA-N 347.390 1.211 0 40 EDAB Cc1ccc(C)c(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)c1 10111382 RMKBOPSUVABALA-UHFFFAOYSA-N 341.477 1.137 0 40 EDAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCC2(CC1)OCCO2 37170846 KBHRQFAIUUBREU-ZDUSSCGKSA-N 348.374 1.544 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)CCc2nc(Cc3ccccc3)no2)C1 46739104 ZCESCZFXDVVGCU-AWEZNQCLSA-N 342.399 1.317 0 40 EDAB O=C(COC(=O)c1ccc(OC(F)F)cc1)NC[C@@H]1CCCO1 3495551 GNYVDEVBGSPHTG-LBPRGKRZSA-N 329.299 1.740 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 46952891 VQODDMOADSXEEY-NWDGAFQWSA-N 333.358 1.455 0 40 EDAB CCc1nnsc1C(=O)NCc1ccnc(-n2ccnc2C)c1 47013685 RKNWOPIYDUQPJW-UHFFFAOYSA-N 328.401 1.920 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCCO3)cn2)CCO1 47187068 SXUIYMMBTRUIDP-ZBFHGGJFSA-N 333.432 1.882 0 40 EDAB O=C1[C@H]2CCCN2C(=O)N1C[C@H](O)COCc1ccccc1Cl 12987996 NXXUVZALOHCJDU-GXTWGEPZSA-N 338.791 1.644 0 40 EDAB Cc1c(CC(=O)N[C@@H](CC(C)C)C(=O)O)c(=O)oc2cc(O)ccc12 4061492 DMYDXEMBBNXGLF-AWEZNQCLSA-N 347.367 1.965 0 40 EDAB biogenic Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c1C 62720387 RMNCUGOFOVERGN-SNVBAGLBSA-N 339.399 1.828 0 40 EDAB COc1cccc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2C)c1O 13684062 QDSGPIPWCQMTHL-GUYCJALGSA-N 349.408 1.680 0 40 EDAB CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C(C)=O)cc1)C(=O)N2 13722126 CCOHCPNMJWESGO-GFCCVEGCSA-N 327.344 1.565 0 40 EDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccccn2)cc1 408601345 FUASZMQLZIWNRW-LBPRGKRZSA-N 349.412 1.073 0 40 EDAB Cc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2c1C(=O)CCC2 5245209 ROPVTJPPAODZAN-UHFFFAOYSA-N 340.383 1.859 0 40 EDAB CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCO2 65535817 NCHYAVNFDVZRGH-AWEZNQCLSA-N 339.413 1.728 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)C1CCCCC1 65541219 AOJYQVONZSMQLY-UHFFFAOYSA-N 344.459 1.817 0 40 EDAB NC(=O)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 65565448 SYDUEVUVJPSZAB-NWDGAFQWSA-N 325.206 1.934 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)NCCc2cccc(F)c2)C1 65590636 OGBRDHHRYGTWRJ-CQSZACIVSA-N 343.424 1.091 0 40 EDAB C[C@H](NC(=O)[C@H](C)N(C)CC(=O)N1CCOCC1)c1ccccc1 14184288 LMSGBCQGJQWKHX-GJZGRUSLSA-N 333.432 1.043 0 40 EDAB Cc1ccccc1CC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 66485684 XTLFKYALVOCFOX-QGZVFWFLSA-N 330.428 1.777 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N3CSC[C@@H]3C(=O)N(C)C)ccc21 66657229 ALQWBPKLQFFNJE-OAHLLOKOSA-N 347.440 1.199 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCCNC1=O 67162586 KVPFMTUHEDJTBZ-QWHCGFSZSA-N 339.436 1.561 0 40 EDAB Cn1cc([C@H]2CCCN2C[C@H](O)COc2ccc3c(c2)OCO3)cn1 71797116 WFKYGAZRJYGEDM-GOEBONIOSA-N 345.399 1.726 0 40 EDAB O=S(=O)(NCc1nccn1CCc1ccccc1)C1CCOCC1 96499987 OERASDJVOIMBSG-UHFFFAOYSA-N 349.456 1.724 0 40 EDAB CN1CC[C@](C)(CNC(=O)CSc2nc(O)c3ccccc3n2)C1 67758994 SFRGEMTZCHFCKI-QGZVFWFLSA-N 346.456 1.886 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 71883322 CFBVRMNNHPXIGP-DKRLNXSXSA-N 345.418 1.780 0 40 EDAB C[C@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)cc1 7630670 URFBZOZLIYRMPI-QWRGUYRKSA-N 343.376 1.521 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2cc(C)no2)C(N)=O)cc1 71826771 PEPCBKUFIOWHCC-ZDUSSCGKSA-N 331.372 1.456 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2cc(C)n[nH]2)C(N)=O)cc1 71841585 QWRPHRZEADJHIS-ZDUSSCGKSA-N 330.388 1.191 0 40 EDAB COC(=O)C[C@@H]1CN=C(Nc2nc(C)c3ccccc3n2)NC1=O 19957400 WUHZVKNTWMAKPX-SNVBAGLBSA-N 327.344 1.015 0 40 EDAB Cc1ccc(C(=O)NCC(=O)N2CCC3(CC2)OC[C@@H](C)O3)cc1C 71915906 PQIXYALVIGEHRN-OAHLLOKOSA-N 346.427 1.787 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2 8240743 LVSYKTMUOCTEIL-UHFFFAOYSA-N 337.335 1.806 0 40 EDAB COc1cc(CNc2cccc(C(=O)O)c2)ccc1OCC(N)=O 408613867 WQQRCMZLWIYQDN-UHFFFAOYSA-N 330.340 1.870 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(C(F)(F)F)cc1Cl 8368842 JUKGOBUEQPQXCV-UHFFFAOYSA-N 347.680 1.848 0 40 EDAB c1ccc2c(c1)OC[C@@H](c1nnc(SCCn3cncn3)o1)O2 69421153 RGVVRRYUNAVOHF-LBPRGKRZSA-N 331.357 1.966 0 40 EDAB CS(=O)(=O)CCN(Cc1cccc(O)c1)C1CCC(O)CC1 69595427 KVBLBFUECQIYSS-UHFFFAOYSA-N 327.446 1.542 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1CCN(c2cnccn2)CC1 69521162 BSGGUIRAHLLLBW-SJORKVTESA-N 343.475 1.778 0 40 EDAB CCNC(=O)COc1ccc(CNC[C@@H]2CCN(C3CC3)C2)cc1 69535422 XCLBNLZEWKUQTM-INIZCTEOSA-N 331.460 1.775 0 40 EDAB O=C(Nc1cccc2cccnc12)N(CCO)[C@@H]1CCS(=O)(=O)C1 95443111 ANHFWZOVOLVHHM-CYBMUJFWSA-N 349.412 1.248 0 40 EDAB CCOCCN1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 69627195 YUFULAUBRONOEK-ZWKOTPCHSA-N 337.508 1.822 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)Nc1c(C)nn(C)c1C 69818434 BCSRZRNCWIXWPB-CVEARBPZSA-N 347.463 1.451 0 40 EDAB COC[C@@H](C)N1CCN(C(=O)c2cc(C)n(-c3ccccc3)n2)CC1 69842390 CZFGHKKVLAGZRO-MRXNPFEDSA-N 342.443 1.973 0 40 EDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cc1c[nH]c3ncccc13)CC2 95410611 UXBGBUSZPFXWJW-JKSUJKDBSA-N 343.427 1.884 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 69950746 SFJJWXMUQPXTSQ-INIZCTEOSA-N 345.443 1.252 0 40 EDAB Cc1ccc(C(=O)NC2CCN(C[C@H](O)Cn3cccn3)CC2)o1 69975063 PGDLBNDAXWLTRG-HNNXBMFYSA-N 332.404 1.040 0 40 EDAB COCCN1CCN(Cc2nc(O)c3cc(Cl)ccc3n2)CC1 69968779 RHPJVURSXRABFT-UHFFFAOYSA-N 336.823 1.753 0 40 EDAB O=C1C(=O)N(Cc2nnc(C3CC3)o2)C(=O)N1Cc1ccccc1 69967675 BQSBCXDCLSRFTN-UHFFFAOYSA-N 326.312 1.438 0 40 EDAB Cc1noc(CCNS(=O)(=O)N2CCC[C@@H]2c2ccc(C)o2)n1 84195309 IZKCRNFGFHCKOF-GFCCVEGCSA-N 340.405 1.493 0 40 EDAB CC1(C)CN(C(=O)c2ccc(CN)nc2C2CC2)CCS1(=O)=O 97046033 WAWXHOSAFHIPLW-UHFFFAOYSA-N 337.445 1.067 0 40 EDAB CCSc1ccc(C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)cn1 72277542 RFLCOSDLSKLZRG-UHFFFAOYSA-N 342.380 1.976 0 40 EDAB Cn1nc(C(=O)N(CC(=O)OC(C)(C)C)c2ccccc2)ccc1=O 72295941 DGCBKCJLXFGTOU-UHFFFAOYSA-N 343.383 1.769 0 40 EDAB Cc1cc(NCCNC(=O)c2ccc3ccccc3n2)n2ncnc2n1 72278786 SOGHQXVDZTZLQC-UHFFFAOYSA-N 347.382 1.823 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@H]2CCS(=O)(=O)C2)n1 72279931 LOMZRJOTPPRVDU-GJZGRUSLSA-N 339.461 1.316 0 40 EDAB CCc1noc(CCCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 72269528 YLFYGODHHWYLFL-KGLIPLIRSA-N 336.436 1.012 0 40 EDAB COC(=O)[C@H](CO)NC(=O)CCCOc1cccc2ccccc12 95942903 QXDZCQLLHULJHH-HNNXBMFYSA-N 331.368 1.649 0 40 EDAB O=C1CN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CCN1 95952876 HHLZQMIJRGGPMG-UHFFFAOYSA-N 340.261 1.327 0 40 EDAB CN(C)S(=O)(=O)N1CCc2c(Br)ccc(F)c2C1 95939483 ONMGFGPUAOMTDD-UHFFFAOYSA-N 337.214 1.753 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)CN2CCCc3cc(C)ccc32)C1 95951643 GISNBASVZUQOPL-KRWDZBQOSA-N 329.444 1.875 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCN(c3nc(C)ns3)CC2)c1 75147549 RUQFVPUAVFZFFG-UHFFFAOYSA-N 338.458 1.666 0 40 EDAB Cc1ccc(C)c(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1 89611899 SRBCPFHJZWLRNT-UHFFFAOYSA-N 339.395 1.590 0 40 EDAB C[C@H](NC(=O)N1CCNC(=O)CC1)c1ccccc1-n1cccn1 89909844 SOXWLDDCCNRKKI-ZDUSSCGKSA-N 327.388 1.465 0 40 EDAB CN1CCN(C2CCN(CC[S@](=O)c3ccccc3)CC2)C1=O 75604144 HXRDXZWKNMYCKN-HSZRJFAPSA-N 335.473 1.626 0 40 EDAB C[C@@H]1CN(C(=O)CCN2C(=O)CCc3ccccc32)C[C@@H]1N(C)C 76050743 PXLKVFROMBMIFW-PBHICJAKSA-N 329.444 1.764 0 40 EDAB Cc1nn(CC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)c1Cl 76051179 KJLCCWVJAIULOK-RISCZKNCSA-N 340.855 1.332 0 40 EDAB C[C@@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)C[C@H]1N(C)C 76050564 UTERYKJRLYJIDK-CZUORRHYSA-N 328.416 1.195 0 40 EDAB O=C(COC(=O)c1ccc(O)cc1O)NC(=O)Cc1ccccc1 21172211 UGQGCQGUILNLJK-UHFFFAOYSA-N 329.308 1.140 0 40 EDAB CCN1CCc2ncnc(N3CCC[C@H](c4nncn4C)C3)c2C1 65584937 FKDFOBRFIGDQCM-ZDUSSCGKSA-N 327.436 1.367 0 40 EDAB Cc1cc(O)nc(SCC(=O)Nc2ccc3nc(O)[nH]c3c2)n1 408541063 BFFXJJMIJFIREP-UHFFFAOYSA-N 331.357 1.803 0 40 EDAB C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 532063605 WYVVBYLNKRRRDN-UXOAXIEHSA-N 343.493 1.124 0 40 EDAB Cc1cc(CCC(=O)NC2CCOCC2)nc([C@@H]2CCCNC2)n1 72366869 METRXJYWNXIGLU-CQSZACIVSA-N 332.448 1.480 0 40 EDAB Cc1c(Cl)c(C(=O)N2CCC[C@]3(CC2)CN(C)C(=O)O3)nn1C 72122278 MTWASTHWACSEQK-HNNXBMFYSA-N 340.811 1.829 0 40 EDAB CCN(C(=O)[C@H](C)N)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79393123 QWPYQXKKZHBOJI-HOCLYGCPSA-N 333.432 1.983 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN1CC1(O)CCCCC1 72388668 PSNDBJIKWNHANM-GFCCVEGCSA-N 327.450 1.645 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)COCCOc1ccccc1)C2 72279013 AYQMOJMXODLPLK-HNNXBMFYSA-N 329.400 1.718 0 40 EDAB O=S(=O)(Cc1cccc2cccnc12)NC[C@@H]1CNCCCO1 561285692 XMUYSMGHNJAOHF-HNNXBMFYSA-N 335.429 1.033 0 40 EDAB CC(C)c1nccc(N2CCN(c3ccnc(N(C)C)n3)CC2)n1 131647943 RMDVOOWATGODMS-UHFFFAOYSA-N 327.436 1.783 0 40 EDAB CCC(=O)Nc1ccc(-n2nnc(C(=O)NC3CCCC3)n2)cc1 71002821 DIWQKZDZYOWGEX-UHFFFAOYSA-N 328.376 1.683 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(N(C)C)n1C(C)C 69700933 KPLDNHWMOJNXQB-SECBINFHSA-N 328.442 1.251 0 40 EDAB O=C(c1c[nH]c(=O)n(Cc2ccco2)c1=O)N1CCc2ccccc21 75172495 NDDFYGJAIGKMEP-UHFFFAOYSA-N 337.335 1.381 0 40 EDAB Cc1csc(=O)n1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 40464614 FFMARQHASGASSE-MRXNPFEDSA-N 345.468 1.999 0 40 EDAB COc1ccc(NC(=O)CN(C)S(=O)(=O)N(C)C)cc1Cl 225962753 NCJHQIVLUQVKNO-UHFFFAOYSA-N 335.813 1.025 0 40 EDAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O[C@H](O)CN1CCN(CCO)CC1)C2 41689817 UNIVYCDNGGXPIN-CBZIJGRNSA-N 326.481 1.146 0 40 EDAB CCN(Cc1ccccc1)S(=O)(=O)N[C@@H]1CCC[C@H](C(=O)O)C1 572758632 SWLRRBMBMVECTD-LSDHHAIUSA-N 340.445 1.986 0 40 EDAB Cn1ccc(C(=O)N2CCOC[C@@H]2c2nccc(N3CCCC3)n2)n1 96218465 AIZDROKASWGMRY-CQSZACIVSA-N 342.403 1.024 0 40 EDAB Cc1nc(CN2C[C@]3(CCN(c4cnccn4)C3)CC2=O)cs1 96239354 INUCRKXOMVNJEQ-MRXNPFEDSA-N 329.429 1.871 0 40 EDAB Cn1nnc2c1[C@H](COCC1CC1)CN(C(=O)Cc1cccs1)C2 96198598 MYQRLSRNMHXMNP-ZDUSSCGKSA-N 346.456 1.972 0 40 EDAB Cc1ccc(N2CC[C@H](NC(=O)CNCC(F)(F)F)C2=O)cc1 96423909 SKFYFRYLDBUWCC-LBPRGKRZSA-N 329.322 1.368 0 40 EDAB O=C(c1ccncc1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 96202262 GLSQBIOZZDJWDG-IBGZPJMESA-N 338.411 1.846 0 40 EDAB CN1C[C@@H](C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)CC1=O 96456451 ZVDLEUKMQDGEFC-DLBZAZTESA-N 330.428 1.715 0 40 EDAB CC1=N[C@@]2(CC[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)C(=O)N1CC(C)C 96261551 NUUPGOHYUFHJRU-RVKKMQEKSA-N 334.464 1.072 0 40 EDAB C[C@@H]1OCCN(C(=O)NCc2ccccc2N2CCN(C)CC2)[C@H]1C 95424543 XRCODHSJXVGPNB-HOTGVXAUSA-N 346.475 1.757 0 40 EDAB O=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(Cc3ccccn3)C[C@H]2O1 96043017 KPZIQZFQRVRDPS-JCGIZDLHSA-N 341.411 1.970 0 40 EDAB COc1cccc(N2CCC[C@@H](NC(=O)c3ccn(C)c(=O)c3)C2)c1 96409288 NQTPHYQUYUMAHV-OAHLLOKOSA-N 341.411 1.793 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2C(=O)c2cscn2)N1Cc1ccncc1 96186397 QZYCHVUUPZXAPR-GJZGRUSLSA-N 342.424 1.944 0 40 EDAB Cc1ccc(F)cc1C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 96416573 IJNXWRCLPJTZLB-UHFFFAOYSA-N 343.406 1.953 0 40 EDAB c1cncc(COC[C@@H]2CN([C@@H]3CCOC3)Cc3ccnn3C2)c1 96067301 CPGHBHZXYMCMML-SJLPKXTDSA-N 328.416 1.716 0 40 EDAB O=C([C@H]1CCCO1)N1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)C1 96203202 VQIPYGJQYCJTGW-VQIMIIECSA-N 343.427 1.744 0 40 EDAB CN(C)CCN1CCc2ncc(CN(C)Cc3cccnc3)n2CC1 96100560 PQRIIYJFMDMWLY-UHFFFAOYSA-N 342.491 1.330 0 40 EDAB COc1cccc(C(=O)N2CCc3ncc(CN(C)C)n3CC2)c1 96196811 QQENUVHOPMYLFV-UHFFFAOYSA-N 328.416 1.652 0 40 EDAB CC(C)CNC(=O)C1=NO[C@]2(CCN(C(=O)c3ccccn3)C2)C1 96225456 AEMCBXYGGQCZEZ-QGZVFWFLSA-N 330.388 1.215 0 40 EDAB O=C(c1cocn1)N1CCC2(CC1)C[C@@H](Oc1ccccn1)CO2 96107018 REXGXWCGZVWGJW-CYBMUJFWSA-N 329.356 1.912 0 40 EDAB CO[C@@H](C)CC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C 583623113 OMFGTDGECMFZHI-IHRRRGAJSA-N 326.416 1.216 0 40 EDAB O=C(c1cnccn1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 96188371 WMIUAJPFZCVCPP-CQSZACIVSA-N 326.404 1.041 0 40 EDAB COc1nn(C)c2c1CCCN(C(=O)c1ccc3c(c1)OCO3)C2 96254463 FCKWHHUDEJHZIR-UHFFFAOYSA-N 329.356 1.746 0 40 EDAB CC(=O)N1CC[C@H](CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 249392362 SAXLHLABWRHJEA-UKRRQHHQSA-N 338.473 1.951 0 40 EDAB O=C(c1ncccn1)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 247841232 FOVLKDSYAFDBQS-AWEZNQCLSA-N 340.383 1.572 0 40 EDAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 257204311 ATYADBLXUBIQRU-LBPRGKRZSA-N 337.383 1.974 0 40 EDAB CC(C)n1nccc1CN1CCOC[C@H](Cc2cc(O)ncn2)C1 257208387 BLYVXWRYNPCWRW-CQSZACIVSA-N 331.420 1.651 0 40 EDAB CC[C@@H]1CN(C)CCN1C(=O)c1cccc(N2CCCNC2=O)c1 585085987 NJFXRNSLHSRWIR-OAHLLOKOSA-N 330.432 1.773 0 40 EDAB CC(=O)N1CCC(Cc2cnc(CN(C)CCN(C)C)cn2)CC1 257282324 OTHNEDSPNQXQBF-UHFFFAOYSA-N 333.480 1.271 0 40 EDAB Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)CCO[C@H]1CC1(F)F 585115553 GRTPDDWNWGDTHL-PELKAZGASA-N 338.376 1.566 0 40 EDAB COc1nccc2c(NC(=O)N[C@H]3CCc4ncnn4C3)cccc12 585119339 CRKNNQVZCZMULC-NSHDSACASA-N 338.371 1.971 0 40 EDAB COc1ccc(CCNC(=O)CNC(=O)c2ccsc2)c(OC)c1 64054854 GNQWWNKCHLXTFN-UHFFFAOYSA-N 348.424 1.854 0 40 EDAB Cc1cccc(CN2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)n1 257325354 WSPBTDTYDQGQIT-CYBMUJFWSA-N 334.445 1.896 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2cnc(C)cn2)C1 257315879 VDBXVJWYHKKGAB-ZDUSSCGKSA-N 326.404 1.712 0 40 EDAB CN(C)[C@H]1[C@H](NC(=O)c2ccccc2)C[C@@H](Oc2ccccc2)[C@@H]1O 257248218 JCRNNSFHKZXLFX-YRXWBPOGSA-N 340.423 1.927 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1cc[nH]n1 257338769 YYXKDXXIXZUNAG-AWEZNQCLSA-N 328.376 1.122 0 40 EDAB Nc1cccc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257207726 BIYQIRSHMFLDOZ-AWEZNQCLSA-N 325.372 1.545 0 40 EDAB CC(=O)c1ccc(N2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)nc1 285060326 OQJZKMNSLKRNFI-OAHLLOKOSA-N 349.431 1.373 0 40 EDAB O=C(N[C@@]12CCC[C@@H]1NCC2)c1cccn(CC(F)(F)F)c1=O 1615544895 DRRNIMOJZOQNGL-SMDDNHRTSA-N 329.322 1.425 0 40 EDAB CC(C)CS(=O)(=O)C1CN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 96380053 UADCKHNQHVOYBN-UHFFFAOYSA-N 347.440 1.972 0 40 EDAB Cc1cc(C)nc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)n1 390833604 KBNYOKUPQOBGNV-UHFFFAOYSA-N 341.414 1.298 0 40 EDAB O=S1(=O)CC[C@@H](CNC(=S)Nc2ccc3ncccc3c2)C1 575423558 GKGWFNIPISTMGS-NSHDSACASA-N 335.454 1.956 0 40 EDAB CCN1CCC(N2CCOC[C@@](O)(COc3ccccc3)C2)CC1 585279317 XVKLMCYQSHBVPI-LJQANCHMSA-N 334.460 1.613 0 40 EDAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccnnc1 585111092 CZHWQGGSZZSDDJ-QGZVFWFLSA-N 349.394 1.765 0 40 EDAB Cc1cccc(OC[C@]2(O)CCCN(C(=O)c3nccn3C)C2)c1 585279295 ZCJYWMOFYYHJHD-SFHVURJKSA-N 329.400 1.775 0 40 EDAB CC(C)(O)CN1CCN(C(=O)Cc2coc(-c3cccs3)n2)CC1 69807860 RTIHKKBKXAHWEE-UHFFFAOYSA-N 349.456 1.861 0 40 EDAB CC(C)(C)c1ccc(CCNC(=O)CN2CCN(CCO)CC2)cc1 69655550 NLNVFXUWFCLIOG-UHFFFAOYSA-N 347.503 1.253 0 40 EDAB COCc1nsc(N2CCN(c3cc(C4CC4)ncn3)CC2)n1 1776009890 XFCKICYBLAZKNO-UHFFFAOYSA-N 332.433 1.679 0 40 EDAB C[C@H](COc1ccc(F)cc1F)NC(=O)NCCN1CCOCC1 55088184 HEQZBYATZZHFGZ-GFCCVEGCSA-N 343.374 1.364 0 40 EDAB COC(=O)CCc1nnc(NC(=O)NCCCn2cccn2)s1 75142883 GRJCJEGMDYMADY-UHFFFAOYSA-N 338.393 1.052 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(C)[nH]c1=O)CC2 75118260 ZIBSLXFSEBLQJM-UHFFFAOYSA-N 328.368 1.899 0 40 EDAB CN1CCN(C(=O)Cc2cccc(NC(=O)c3ccncc3)c2)CC1 96445163 QEKCTNIVCUOSGG-UHFFFAOYSA-N 338.411 1.650 0 40 EDAB CN1C(=O)C[C@H](CNC(=O)Nc2cnn(C)c2)[C@@H]1c1ccccc1 97056370 YKUSYSNMZYWGFR-CJNGLKHVSA-N 327.388 1.761 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 551899408 FFZUEPYCFVVFBE-BBWFWOEESA-N 339.457 1.936 0 40 EDAB O=C1CC[C@@H](NC(=O)c2cc3n(n2)CCCC3)[C@H](c2ccccc2)N1 582772112 YKGQKONGWWTPKU-QAPCUYQASA-N 338.411 1.969 0 40 EDAB C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ccc(-n2cccc2)nc1 585084939 BGKQSBJXHKUHCY-NVXWUHKLSA-N 340.427 1.808 0 40 EDAB CCOC(=O)c1oc(N2CCN3C(=O)CC[C@@H]3C2)nc1C(F)(F)F 1548513975 JXTVVKBSYJUIPY-MRVPVSSYSA-N 347.293 1.681 0 40 EDAB Cc1ccccc1COn1nnc2ccc(S(=O)(=O)N(C)C)cc21 5457548 HIGNCASLCPJGGQ-UHFFFAOYSA-N 346.412 1.619 0 40 EDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)Cc3cccc(F)c3)C[C@H]21 12120039 NSDHQXXIQDLLIG-CJNGLKHVSA-N 341.386 1.948 0 40 EDAB O=C1CCCN1CCCNCc1cc2cc3c(cc2[nH]c1=O)OCO3 13998946 LWGCSTXTXFGJIW-UHFFFAOYSA-N 343.383 1.359 0 40 EDAB CN1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1 14252240 SBRYHRHLXGFYTQ-UHFFFAOYSA-N 339.280 1.883 0 40 EDAB C[C@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)N1CCCC1 19456459 HLQBKKIAFJWDAP-LLVKDONJSA-N 344.381 1.991 0 40 EDAB Cc1nc2ccccc2n1CC(=O)N1CC[C@](O)(CN2CCCC2)C1 1848352463 SSHFAWDQXBZHFY-IBGZPJMESA-N 342.443 1.404 0 40 EDAB c1cnc(N2C[C@@H]3CN(Cc4nc5c(s4)CCC5)C[C@H]3C2)nc1 1888844185 VBBXMFNMJTWXPH-STQMWFEESA-N 327.457 1.990 0 40 EDAB Cc1nnc(N2CCO[C@@H](C(=O)N3CCOCC3)C2)c2ccccc12 1888869374 ARYMDOMFLWSEPX-MRXNPFEDSA-N 342.399 1.002 0 40 EDAB Cn1cc(C(=O)N2CC(Oc3ccnc(C(F)(F)F)c3)C2)nn1 1889128497 YCHKKQBJFAQLOC-UHFFFAOYSA-N 327.266 1.132 0 40 EDAB COC1(CNC(=O)C(=O)N[C@@H](C)c2ccccc2)CCSCC1 244975077 IAMZKPWTTRESJX-ZDUSSCGKSA-N 336.457 1.892 0 40 EDAB CN1C[C@H]2CN(C(=O)CCc3ccc(F)cc3)CC[C@@H]2OCC1=O 2037985385 ICLRRPSLCSIZDH-HOCLYGCPSA-N 334.391 1.464 0 40 EDAB O=C(N1CCC[C@]2(COCCN(c3cnccn3)C2)C1)C1(F)CC1 1565544940 ANGZJGYAFSEJJI-MRXNPFEDSA-N 334.395 1.424 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)c3csnn3)CC2)C1=O 1565544737 PEILBGNSRSMONT-HNNXBMFYSA-N 338.433 1.029 0 40 EDAB COc1cc(C(=O)N2CCc3ncnc(NC4CC4)c3CC2)on1 1565546418 ARRVZCQHVSNUCS-UHFFFAOYSA-N 329.360 1.289 0 40 EDAB O=C(NCc1nnnn1-c1ccccc1)c1cc(=O)c2ccccc2o1 9570670 CGONMGKJIAWNSC-UHFFFAOYSA-N 347.334 1.699 0 40 EDAB Cc1ccc([C@H](CNC(=O)C(=O)Nc2nccs2)N(C)C)cc1 10332005 GMLRMXYVFDTTIP-ZDUSSCGKSA-N 332.429 1.809 0 40 EDAB Cc1cccc(NC(=O)CSc2ncc(CO)n2CC(N)=O)c1C 17135641 SHJWAEJVHZHUPC-UHFFFAOYSA-N 348.428 1.208 0 40 EDAB CN1C(=O)C[C@H](N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C1=O 100112555 WVQOEYAXAXTOHS-DZPQGLOJSA-N 331.460 1.330 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@](C)(O)c1cc2ccccc2o1 217985314 MITHALSHVWEZAZ-KRWDZBQOSA-N 329.356 1.812 0 40 EDAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@]3(O)CCOC3)cc2)co1 178985369 OUMWLWQYUPMWCJ-OAHLLOKOSA-N 338.385 1.080 0 40 EDAB CC(C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NC1CCCC1 16020756 NLYCQVMJHVNSDE-QZTJIDSGSA-N 343.471 1.901 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)N[C@H](C)Cn3cccn3)CC2=O)cc1F 31399436 UYNKSFAHYHABPU-ZIAGYGMSSA-N 344.390 1.888 0 40 EDAB CCN(CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)Cc1ccco1 40520481 HHFSCJRUXSDZFT-ZDUSSCGKSA-N 328.434 1.137 0 40 EDAB O=C(Nc1ccc(-n2ccnn2)cc1)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO 101547543 JQVYPMMBSRBMNZ-APYUEPQZSA-N 327.388 1.796 0 40 EDAB COc1cc(NC(=O)c2nc3ncccn3n2)cc(OC)c1OC 339020 KOSUQTOVTXOMJL-UHFFFAOYSA-N 329.316 1.402 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C[C@H](C)O1 32836416 NDHAHMYQOPNOOY-QWRGUYRKSA-N 346.474 1.089 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1nn(-c2ccc(Cl)cc2)nc1CO 21783325 ZXUPPFIFDQSIIM-LBPRGKRZSA-N 336.779 1.322 0 40 EDAB C[C@@H](NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C1CC1 22774782 OSSCREKCXMXFLR-CQSZACIVSA-N 345.443 1.448 0 40 EDAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OC(C)C)[C@H]4C2=O)cc1 207877 BSTNPDGBHFHFRZ-PASDCYSWSA-N 343.379 1.933 0 40 EDAB biogenic CCN(C(=O)N[C@H]1CCS(=O)(=O)C1)[C@H](C)c1cccc(OC)c1 42871131 NVTGVNYZUSZMCN-OCCSQVGLSA-N 340.445 1.975 0 40 EDAB CCC(=O)N1CC[C@H](NCc2cnc(N3CCCC3)nc2)[C@@H](C)C1 78897590 IBCKPAYESORTAC-HOCLYGCPSA-N 331.464 1.813 0 40 EDAB CCc1nc2ccccc2n1C1CCN(C(=O)Cn2cnnn2)CC1 93022018 IINLALLYRHSOIV-UHFFFAOYSA-N 339.403 1.449 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2[nH]c1=O 2465113 UVUYYKHCBMLUFN-UHFFFAOYSA-N 335.316 1.156 0 40 EDAB CCNC(=O)NC(=O)CSc1nnc(-c2cccs2)n1CC 3516818 VZDAZORTXUXHPX-UHFFFAOYSA-N 339.446 1.964 0 40 EDAB CC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 1003775 KASCBSVSQUVELH-UHFFFAOYSA-N 329.447 1.596 0 40 EDAB CSCC[C@H](NC(=O)Cn1cnnn1)c1nc2ccccc2[nH]1 12544462 GBNNSWZPVASYDZ-LBPRGKRZSA-N 331.405 1.160 0 40 EDAB O=C(Oc1ccccc1Cl)C1=CC=CN2CCS(=O)(=O)N=C12 7780270 OOMZHKQNDOWIBC-UHFFFAOYSA-N 338.772 1.743 0 40 EDAB CN1N=C(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)CCC1=O 55274332 UDSRTYRQAKNKDW-QGZVFWFLSA-N 329.400 1.567 0 40 EDAB Cc1nc(NC(=O)CN2CCN(C[C@@H](C)O)[C@@H](C)C2)sc1C 106868092 KKXVEOZASNAIMU-WDEREUQCSA-N 326.466 1.085 0 40 EDAB COc1ccc(CN2CCN(C(=O)Cn3ccccc3=O)CC2)cc1 25396013 ZRJVBOYOIXVHST-UHFFFAOYSA-N 341.411 1.201 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 107049142 SKYHWDMREZQOCT-MWDXBVQZSA-N 340.464 1.018 0 40 EDAB CCCCN(C)S(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 56099670 ITMNSIDCIIVBGE-CYBMUJFWSA-N 327.454 1.012 0 40 EDAB CNc1snc(C)c1C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 95351879 CGNMMGPHVSBWAT-GFCCVEGCSA-N 340.493 1.658 0 40 EDAB NC(=O)[C@@H](NCc1ccccc1CN1CCOCC1)c1ccccc1 26221323 ISSJVHWQASKTHW-IBGZPJMESA-N 339.439 1.835 0 40 EDAB Cc1cc(S(=O)(=O)NCCNC(=O)c2ccoc2)c(C)s1 57008768 QJBOQXGDPDGMFY-UHFFFAOYSA-N 328.415 1.666 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(F)c(F)c2)C1 57320231 BRJNUSMJPYGKQV-WCQYABFASA-N 340.370 1.968 0 40 EDAB Cn1ncc2c(N3CCC(NC(=O)c4ccsc4)CC3)ncnc21 57150568 KMCRPFADJBILKC-UHFFFAOYSA-N 342.428 1.824 0 40 EDAB C[C@@]1(c2cccc(NC(=O)Cc3ccccc3O)c2)NC(=O)NC1=O 95393770 ZSLXJHPIRKOORY-SFHVURJKSA-N 339.351 1.628 0 40 EDAB Cn1c(=O)n2n(c1=O)[C@]1(C)C=C[C@@H]2[C@]23C=C[C@@]21c1ccccc1CC3 104293920 UHZSZOQQHVASQC-XCLNPWKQSA-N 333.391 1.629 0 40 EDAB Nc1nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2s1 3369862 LHPGQEZNTCIEQI-UHFFFAOYSA-N 340.412 1.631 0 40 EDAB Cc1occc1C(=O)N1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1 58265130 KCZYBZOZSNDSCF-UHFFFAOYSA-N 349.431 1.425 0 40 EDAB O=C(Nc1ccccn1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 58203542 SIROZPXNMNVRTD-NSHDSACASA-N 337.426 1.935 0 40 EDAB O=C(NC[C@@H](O)COc1ccc(F)cc1)c1cccc2c1OCCO2 58281290 ZPQRFQGEKIKQBX-CYBMUJFWSA-N 347.342 1.767 0 40 EDAB COc1ccc([C@@H](C)NC(=O)NCCNc2ncccn2)c(OC)c1 44969074 FKTONCJKVWNWNT-GFCCVEGCSA-N 345.403 1.966 0 40 EDAB COc1cccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 58401671 NXZSEMKJZSSMGO-INIZCTEOSA-N 331.416 1.250 0 40 EDAB CCONC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)[C@@H](C)CC 58421328 HPCGVHBPRHWGQZ-GWCFXTLKSA-N 339.417 1.208 0 40 EDAB O=C(CN1CCc2sccc2C1)Nc1ccc(-n2cncn2)nc1 58793359 BIPUJPDYJJNCMU-UHFFFAOYSA-N 340.412 1.721 0 40 EDAB CCc1c(C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)csc1C 102602253 UMYTWNNDLRIQMO-LPWJVIDDSA-N 334.397 1.426 0 40 EDAB COc1ccccc1-n1cnnc1SCC(=O)N1CCO[C@H](C)C1 11425380 SKHQXZPGEJELJG-GFCCVEGCSA-N 348.428 1.615 0 40 EDAB C[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)NC1CCCC1 2640557 ZVIGNTZOLHEKCE-LLVKDONJSA-N 343.383 1.538 0 40 EDAB Cc1nc2c(c(C)c1CC(=O)NCc1ccc(F)cc1)c(=O)[nH]n2C 62639893 IIOQSQOPXMFROQ-UHFFFAOYSA-N 342.374 1.876 0 40 EDAB C[C@@H](NC(=O)NCCNc1ncccn1)c1ccc2c(c1)CC(=O)N2 47057205 YNYTVOYBDJNBTD-LLVKDONJSA-N 340.387 1.444 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N(C)Cc1ccccc1OC(F)(F)F 12999314 CFFLCHOLVHGWOD-VIFPVBQESA-N 333.310 1.861 0 40 EDAB Cc1nc(C)c(CCNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)s1 95426946 DVXVZLZXQIJQPP-QWHCGFSZSA-N 336.461 1.755 0 40 EDAB CCN1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)CC1 13250316 VIHUNKKIYBAIBT-UHFFFAOYSA-N 330.381 1.287 0 40 EDAB CCc1nc2ccccc2n1C1CCN(CC(=O)NC(=O)NC)CC1 93301845 SLYDFTAUGHVDKM-UHFFFAOYSA-N 343.431 1.691 0 40 EDAB CCN1CCN(c2cc(CNC(=O)Nc3ccncc3)ccn2)CC1 64623566 URJFKOSTIOYAGF-UHFFFAOYSA-N 340.431 1.940 0 40 EDAB COc1cc(NC(=O)CCNc2ncccn2)cc(OC)c1OC 13689522 ZIHOZMZDCLGEKG-UHFFFAOYSA-N 332.360 1.943 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 14068780 UDQSJQMDWMGNIW-UHFFFAOYSA-N 346.387 1.694 0 40 EDAB COC(=O)CS(=O)(=O)CCC(=O)N(C)Cc1ccc(Cl)cc1 65515939 FQLINVAYBMONOH-UHFFFAOYSA-N 347.820 1.276 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)NC1CCC(O)CC1 65547576 FUHCIEXJCLSZFJ-UHFFFAOYSA-N 326.418 1.824 0 40 EDAB Cc1nc(C)c(CCC(=O)Nc2ccc(-n3ccnc3)nc2)c(=O)[nH]1 65589584 UVVURTXQHLKHRH-UHFFFAOYSA-N 338.371 1.539 0 40 EDAB C[C@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(F)cc1 5342887 RXYHPQMIOPILJK-TUKIKUTGSA-N 330.359 1.954 0 40 EDAB Cc1cccc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 6433522 GKMHYKNZGMXIOP-UHFFFAOYSA-N 348.424 1.380 0 40 EDAB C[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NC1CC1 4546427 CUTNDVQRJLUMRE-RNCFNFMXSA-N 334.397 1.700 0 40 EDAB COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1 6509080 BLIDANQMSARENI-UKRRQHHQSA-N 335.381 1.137 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N1CCCCC1 5681451 FPZMEPVYCRHXLY-KRWDZBQOSA-N 347.440 1.844 0 40 EDAB CC[C@@H](C(=O)NCc1nccn1CC(F)(F)F)N1CCCC1=O 95404216 UKESHDGWXDDNLO-JTQLQIEISA-N 332.326 1.463 0 40 EDAB Cc1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c1 4942182 FHTFXOAUNYOXMX-AJJFPUDKSA-N 329.352 1.674 0 40 EDAB CCc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4942307 LWDAHNBEEPVMJF-YBSJNODJSA-N 343.379 1.928 0 40 EDAB Cn1cc([C@](C)(O)CNS(=O)(=O)c2cc(F)ccc2Cl)cn1 95433195 WNFDZGFROZZKFY-CYBMUJFWSA-N 347.799 1.399 0 40 EDAB COc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1OC 71856631 MKWCOAOAWIWWQC-CABCVRRESA-N 349.431 1.366 0 40 EDAB Cn1c(CN2CCC[C@@H]2Cc2cccc(F)c2)cc(=O)n(C)c1=O 71810991 SGMBZDCUFDIFPR-OAHLLOKOSA-N 331.391 1.430 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN[C@@H]1CCc2nc(C(C)C)nn2C1 71871795 OVZQNQSERUMCRP-CYBMUJFWSA-N 345.451 1.295 0 40 EDAB CCCCn1nnnc1CN(C)C[C@@H]1CCCN1c1cccnn1 71859972 ZLWGHFHXQSHUCZ-AWEZNQCLSA-N 330.440 1.364 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(C[C@H](C)O)CC1 71877399 IEPVXCOAMBJEMC-HRCADAONSA-N 349.475 1.259 0 40 EDAB O=C(CC[C@@H]1CCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1 70021611 GGYXYFFLGFAPEY-ROUUACIJSA-N 332.444 1.823 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2nc(C(F)(F)F)cs2)C1 95433793 FYSZCQFNNDWGDU-SSDOTTSWSA-N 329.369 1.285 0 40 EDAB CN1CCC[C@@H](NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1 83877758 MUGOFYWEYBCRHW-LZUXJJCOSA-N 333.476 1.529 0 40 EDAB c1ccc(-c2nc(CN3CCO[C@@H](Cn4cccn4)C3)no2)cc1 69376135 DVKKQFWWQPSPJZ-OAHLLOKOSA-N 325.372 1.834 0 40 EDAB O=C(C1CCCC1)N1CCN(CCNc2cncc(Cl)n2)CC1 71904248 FVVNPFMNPVXNOW-UHFFFAOYSA-N 337.855 1.876 0 40 EDAB Cn1ccnc1N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 71916569 KROROZSWTFUFEN-UHFFFAOYSA-N 337.383 1.224 0 40 EDAB Cc1cc(NC(=O)CN2CCCC[C@@H]2CC(N)=O)n(C(C)(C)C)n1 71904614 LTDVRFRORKVHNT-CYBMUJFWSA-N 335.452 1.615 0 40 EDAB CC(C)c1ccc(-n2nnnc2SCCNS(C)(=O)=O)cc1 69592594 OQYDCVLGNRTXGA-UHFFFAOYSA-N 341.462 1.427 0 40 EDAB O=C([C@H]1CCCO1)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 69533224 DACIVEZKSCZERY-UKRRQHHQSA-N 338.429 1.135 0 40 EDAB COC(=O)CCCS(=O)(=O)NC[C@@H](c1cccc(F)c1)N(C)C 69661755 RJNJKDVCJPWGMO-AWEZNQCLSA-N 346.424 1.301 0 40 EDAB Cc1cc(CNC(=O)CN2CCC[C@@H](Cn3cncn3)C2)ccc1F 69628250 PXUIVNXBKFNCQE-MRXNPFEDSA-N 345.422 1.754 0 40 EDAB C/C=C/c1cc(C(=O)N2CCN(C[C@H](C)O)CC2)cc(OC)c1OC 69893377 MZHOWEVQSZJRML-GJBLVYBDSA-N 348.443 1.876 0 40 EDAB Cc1cc(C(=O)N2CCN(CC(C)(C)O)CC2)c2c(C)noc2n1 69807651 IJTZVTOGTIUYOZ-UHFFFAOYSA-N 332.404 1.368 0 40 EDAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCN(CCO)CC1 69976788 YGCBDOVDVXJLJV-CQSZACIVSA-N 339.867 1.469 0 40 EDAB O=C(NCCNc1ncccn1)c1ccc(-c2ccccc2)[nH]c1=O 75119745 JHNXRSLPMROVST-UHFFFAOYSA-N 335.367 1.674 0 40 EDAB CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)COCC2CC2)c1 75144297 BNPXLAINBLSOAC-UHFFFAOYSA-N 330.381 1.441 0 40 EDAB O=C(CN[C@H](c1c(F)cccc1F)C(F)(F)F)N1CCNC1=O 97056194 HFNFICVRFOWQCS-LLVKDONJSA-N 337.248 1.710 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)c2ccc(N3CCCC3)nn2)no1 72299130 YCHXRCDREGGYOF-CYBMUJFWSA-N 342.403 2.000 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N1CCCC[C@H]1CN1CCCC1=O 72278011 VMIXTWYZLNWECF-GJZGRUSLSA-N 333.436 1.458 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1OC 72269471 JCMYGBXIVJZZIY-JKSUJKDBSA-N 348.443 1.304 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CS(=O)(=O)C(C)C 72234108 TZEHFKSWEHTMRQ-CYBMUJFWSA-N 327.450 1.524 0 40 EDAB Cn1nc(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)ccc1=O 97199190 BMAILFWZRJSBTD-LLVKDONJSA-N 329.404 1.019 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NO[C@@H]1CCCCO1 97299745 LWDPZACWRZVANK-WXYBXBMJSA-N 328.434 1.819 0 40 EDAB Cn1ccc(NC(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 84321637 RWJAXQXJRRJOCR-HOTGVXAUSA-N 341.415 1.537 0 40 EDAB Cc1nonc1CN1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 72427766 VPUOEIBMWGVSSI-QPJJXVBHSA-N 330.363 1.875 0 40 EDAB COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2ccnn2C)CC1=O 73746211 NBCCHFUPEFBHHD-ZDUSSCGKSA-N 342.399 1.406 0 40 EDAB CC(C)N(C)S(=O)(=O)NCCc1cc(F)cc2c1OCOC2 84575518 XJOYKQQDOXJZEC-UHFFFAOYSA-N 332.397 1.409 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)CO)c(Cl)cc12 85418989 ZEYZIZZQLOGCKF-SECBINFHSA-N 325.748 1.631 0 40 EDAB Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)N1CCCCCC1 95980152 FMKZPQQWMDUVDB-CQSZACIVSA-N 342.465 1.521 0 40 EDAB CCCS(=O)(=O)NC1CCN([C@H]2Cc3ccccc3[C@H]2O)CC1 95987177 ZSKNPZROEYAQKP-DLBZAZTESA-N 338.473 1.439 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)CN(C)Cc2cccc(N(C)C)c2)C1 89921878 PPARKCOQXXHWOC-QGZVFWFLSA-N 346.475 1.312 0 40 EDAB Cc1nnc(SCc2ccn(-c3ccc(F)cc3)n2)n1CC(N)=O 76040559 SKHBZXPLWQAICM-UHFFFAOYSA-N 346.391 1.689 0 40 EDAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 408700881 NMXYEFVYVXTRDQ-CYBMUJFWSA-N 340.445 1.705 0 40 EDAB CCN(CCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(C)c1 65402221 LNPVYJGUKXDBDU-OAHLLOKOSA-N 329.444 1.948 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4c(F)cccc4Cl)C(=O)[C@@H]13)O2 4342983 SOIQCTCZLBBALQ-JFILPPLUSA-N 337.734 1.846 0 40 EDAB Cn1ncnc1C1(O)CCN(c2cnc3cc(F)c(F)cc3n2)CC1 1515956203 IZFIEFXXPKMTCE-UHFFFAOYSA-N 346.341 1.525 0 40 EDAB O=C(c1cc2n(n1)CCCC2)N1CC[C@@](CO)(c2ccccc2)C1 516848569 BUUGQSYAZUIKIN-LJQANCHMSA-N 325.412 1.996 0 40 EDAB COC[C@@H]1CN(c2nccc(C(=O)OC)c2Br)CCO1 521395066 BMEUYLFOXJZOEQ-VIFPVBQESA-N 345.193 1.482 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CN)CO 218204060 GISYQPJWARCQMP-RWMBFGLXSA-N 348.262 1.287 0 40 EDAB NC(=O)c1cnc(NC2CC2)nc1CCNC(=O)Cc1ccccc1 72356032 FIYYZQFAGZIDQT-UHFFFAOYSA-N 339.399 1.051 0 40 EDAB CCOC(=O)C1=C(C)N=C(NN)N[C@@H]1c1ccc(O)c(OCC)c1 33445666 KAZIDDXGMXBDHY-CQSZACIVSA-N 334.376 1.092 0 40 EDAB NC(=O)CSc1nc2nccnc2c(=O)n1CCc1ccccc1 6818573 YSHSWWJEWDGDKP-UHFFFAOYSA-N 341.396 1.007 0 40 EDAB O=C(NCCN1CCOCC1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30944381 MULNNUVPURLOIM-QGZVFWFLSA-N 349.450 1.486 0 40 EDAB CN(C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CCCC1)c1ccco1 69704239 IJYNSLICDZHYAK-LBPRGKRZSA-N 328.434 1.356 0 40 EDAB Cc1nccn1C[C@@H](C)CNC(=O)c1cc(N2CCOCC2)ccn1 129802507 LDZRGMNRQPWEPN-AWEZNQCLSA-N 343.431 1.489 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)N3CCO[C@H](C)C3)CC2=O)cc1 78979274 LXQNCWHWWTYLPJ-HIFRSBDPSA-N 332.400 1.291 0 40 EDAB CCC(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 71980557 PPNOFKDRBKFNCR-OAHLLOKOSA-N 332.400 1.701 0 40 EDAB CCCc1cc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CN(CC)CC3)n(C)n1 133377285 ZNNFPFFJJWMJFQ-GJZGRUSLSA-N 347.463 1.396 0 40 EDAB Cn1cc(S(=O)(=O)NCc2cccnc2-c2cccnc2)cn1 225643939 IJRYTPYXZRKQOC-UHFFFAOYSA-N 329.385 1.356 0 40 EDAB COc1ccc(CCS(=O)(=O)NC[C@@H](O)c2cccs2)cc1 75156080 KCWPJGSFOXCSCT-CQSZACIVSA-N 341.454 1.952 0 40 EDAB CCOC(=O)c1nnn(C(C)(C)C(N)=O)c1-c1ccc2c(c1)OCO2 82237891 KEYYBQQJHSMWTI-UHFFFAOYSA-N 346.343 1.071 0 40 EDAB O=C(O)[C@H]1CC12CCN(S(=O)(=O)c1cnn(CC(F)F)c1)CC2 570626624 ZFSATJIWULQPRW-SNVBAGLBSA-N 349.359 1.024 0 40 EDAB Cc1cc([C@@](C)(O)CNC(=O)c2nc3nccc(C)n3n2)c(C)o1 80899461 ICWFGKFUJFDJAP-INIZCTEOSA-N 329.360 1.280 0 40 EDAB O=C(NCc1nnc2n1CCCC2)c1ccc(Br)o1 41139878 WTJIRMLNDAJCBY-UHFFFAOYSA-N 325.166 1.900 0 40 EDAB CCc1nsc(NCCC(=O)N2CCN(c3ccccn3)CC2)n1 80971184 VRKIXILCDHXVIB-UHFFFAOYSA-N 346.460 1.646 0 40 EDAB COc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)n2)cc1 224218864 PNKKVRDKAVINRX-UHFFFAOYSA-N 343.387 1.644 0 40 EDAB CCc1cnc(CNC(=O)/C=C/C(=O)NCc2ccc(OC)cc2)o1 585122314 WPGMSMWXOHAAQT-CMDGGOBGSA-N 343.383 1.734 0 40 EDAB O=C([C@H]1COCCO1)N1CC(Cc2cccc(Br)c2)C1 585128424 AUVYYCBAHKPFIZ-CQSZACIVSA-N 340.217 1.865 0 40 EDAB CCn1cc(NC(=O)C(=O)N[C@@H](C)Cc2ccsc2)ccc1=O 96413486 FDCONLKARDDIKB-NSHDSACASA-N 333.413 1.616 0 40 EDAB COc1ccccc1C[C@@H](C)N(C)C(=O)NC[C@@H]1CN(C)CCN1C 96440116 WHKXXVBZPNCXFN-NVXWUHKLSA-N 348.491 1.513 0 40 EDAB CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1nccs1 585122320 WZRHPKPCEUXIJH-LLVKDONJSA-N 340.449 1.310 0 40 EDAB CN(C)Cc1ccc(CN2CCNC(=O)C2)c2c1OC(F)(F)O2 585136480 HXNQVDGBMZTOST-UHFFFAOYSA-N 327.331 1.002 0 40 EDAB Cc1ccn(-c2ccc(C(=O)N[C@H]3CCc4nnc(C)n4C3)cc2)n1 97198566 IQFSHZGOJJKUHN-HNNXBMFYSA-N 336.399 1.825 0 40 EDAB O=C(N=c1cc[nH]cc1Br)N[C@H]1CCc2n[nH]cc2C1 332603712 PKRKGLUZQOGYHO-VIFPVBQESA-N 336.193 1.668 0 40 EDAB COCCN1CCO[C@@H]2CN(C(=O)c3sccc3C)CC[C@@H]2C1 96249615 OXJNGPUUZYUTTE-HUUCEWRRSA-N 338.473 1.866 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CN(C)CCO1 97378829 UVPVOKKYKKTDAE-NXHRZFHOSA-N 346.475 1.137 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)NCc1nccn1Cc1ccccc1 96439830 YGJNISYFAXIXMS-AWEZNQCLSA-N 339.403 1.411 0 40 EDAB COc1cccc(/C=C\C(=O)N[C@H]2CCOC2=O)c1OC(F)F 585081019 NQYAULCGXDHFDB-OMMCCPJFSA-N 327.283 1.742 0 40 EDAB CCCCN(C)c1ccc(C(=O)N(C)[C@H](C(=O)OC)[C@H](C)O)cc1 585089918 NKWOXFHPVYDAJA-BBRMVZONSA-N 336.432 1.917 0 40 EDAB Cn1nc(C(F)(F)F)cc1C(=O)Nc1cc(C2CCOCC2)[nH]n1 584272675 UGJKQPRPADEPMG-UHFFFAOYSA-N 343.309 2.308 0 40 EDAB O=C(c1c[nH]cn1)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96073801 MANAONPQULTRKV-BLLLJJGKSA-N 346.366 1.215 0 40 EDAB CO[C@H]1CCN(c2ncccn2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96109464 MGMBNDNZQAPYAT-BBWFWOEESA-N 325.416 1.597 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](C)n2ccc(-c3ccsc3)n2)CC1 96455277 XMEHIFZNYVTNTB-GFCCVEGCSA-N 332.429 1.863 0 40 EDAB O=C([C@H]1C[C@H]2CC[C@@H]1O2)N1CCN(Cc2nc3ccccc3[nH]2)CC1 96483843 NGPWISBIANQUGS-KEYYUXOJSA-N 340.427 1.775 0 40 EDAB CCS(=O)(=O)N1CCn2c(COc3cccnc3)cnc2[C@H]1C 96109847 GVXHRIQZMIQXEN-GFCCVEGCSA-N 336.417 1.583 0 40 EDAB c1cnc(N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3CC2)nc1 96082233 ZXQQEGDPMKIJRO-IRXDYDNUSA-N 325.416 1.741 0 40 EDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)CN)cc1 242723180 YFJSAXROTFWLGP-KURKYZTESA-N 346.452 1.600 0 40 EDAB Cc1cc(CN2Cc3ncn(C)c3[C@H](C(=O)NCC3CC3)C2)no1 248030859 LAQRQGKONMLGPK-CQSZACIVSA-N 329.404 1.342 0 40 EDAB CN(C)S(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1COc1ccc(F)cc1 247949345 LECYYZJLDBNUNE-CORIIIEPSA-N 328.409 1.864 0 40 EDAB CN(C)Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)cc1 257256736 KMROJRQSDBDWIX-ROUUACIJSA-N 342.443 1.783 0 40 EDAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257306580 SUXKACYREMAIET-ZIAGYGMSSA-N 346.399 1.152 0 40 EDAB Cn1nccc1CCC(=O)N1CCC[C@H](Cc2nccnc2N)C1 257288119 PSXZWLSTBDXUNE-CYBMUJFWSA-N 328.420 1.206 0 40 EDAB COc1ccccc1[C@H]1CNCCN1Cc1cnc(N(C)C)nc1 257215749 CRMGLDZJBBJLFF-MRXNPFEDSA-N 327.432 1.698 0 40 EDAB C[C@]12C[C@@H](Cc3ccccc3)N(CC(N)=O)[C@H]1CCCCC(=O)N2 257327209 XAMAVVPBPMYOAW-GJYPPUQNSA-N 329.444 1.606 0 40 EDAB Cc1ncsc1C(=O)N1CCO[C@H](c2nccc(CN(C)C)n2)C1 257285515 PHMRCAFCIQPAOW-ZDUSSCGKSA-N 347.444 1.517 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2ocnc2C)CC1 257308225 TVXGSQRFHALNRL-UHFFFAOYSA-N 343.387 1.429 0 40 EDAB Cc1ccccc1S(=O)(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257264747 LVWSDDIGYXHOAV-GJZGRUSLSA-N 335.429 1.578 0 40 EDAB Cc1ncc(-c2nccnc2C[C@H]2CCCN(S(C)(=O)=O)C2)n1C 257220507 DLBGCBIFTIRJBM-CYBMUJFWSA-N 349.460 1.400 0 40 EDAB Cc1cc(F)c(S(=O)(=O)N[C@@]2(CC(=O)O)CCOC2)cc1F 1607662927 TYJDARKZKKIOJJ-CYBMUJFWSA-N 335.328 1.185 0 40 EDAB Cn1nc2c(c1S(=O)(=O)N1CCCC[C@@H]1CC(=O)O)CCCC2 634653538 YFXVRZCARGGHOT-LLVKDONJSA-N 341.433 1.317 0 40 EDAB Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCc3nnn(C)c32)N(C)C)cc1 1615586021 OXSHZFMLKOWYGD-NVXWUHKLSA-N 341.459 1.963 0 40 EDAB COc1cc(OC)cc(C(=O)NCc2nc(-c3cnn(C)c3)no2)c1 390830890 OCIAENIJFXCXPP-UHFFFAOYSA-N 343.343 1.417 0 40 EDAB CCn1ncn(NC(=O)Nc2ccc(F)cc2C(F)(F)F)c1=O 585141851 ZSPWEMUUYDMHKF-UHFFFAOYSA-N 333.245 1.998 0 40 EDAB Cc1cnn(CC(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2F)c1 585276969 KXIIECUVBCGONF-IRXDYDNUSA-N 331.391 1.925 0 40 EDAB Cc1ncc(C(=O)N2CCn3c(COCC4CC4)nnc3[C@@H]2C)[nH]1 585097127 HQSVIVAQGMJVSE-JTQLQIEISA-N 330.392 1.453 0 40 EDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cn2ccsc2n1 69351325 BQACFYTVQSHKAK-JTQLQIEISA-N 348.453 1.994 0 40 EDAB CC[C@@H]1CN(C(=O)CN2CCNC(=O)C[C@@H]2c2ccccc2)CCO1 71830895 WNGUZBRQQYHHAE-IAGOWNOFSA-N 345.443 1.187 0 40 EDAB COc1cccc(COCC(=O)N[C@@H](C)c2nnc3n2CCC3)c1 44939861 YZMWGASZZCXUIR-LBPRGKRZSA-N 330.388 1.627 0 40 EDAB Cc1cc(NC(=O)C(=O)NCCCN2CCc3ccccc32)no1 77220835 BGQFNDAIVAWRPV-UHFFFAOYSA-N 328.372 1.491 0 40 EDAB O=C(NCCNc1cnccn1)c1ccc(-c2ccco2)[nH]c1=O 75125531 WLYNTNSBLGSAKF-UHFFFAOYSA-N 325.328 1.267 0 40 EDAB CCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)CSC)cc1 75157331 OJQHMUAADQAACP-HNNXBMFYSA-N 326.418 1.254 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1nnc2ccccn12 76070377 JOICWIMJMLJAFZ-SNVBAGLBSA-N 327.392 1.832 0 40 EDAB COc1ccc(CC(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc1 96121963 WGEMQXZNYIYXIM-UHFFFAOYSA-N 325.430 1.519 0 40 EDAB Cc1cc(CNS(=O)(=O)c2ccc(F)cc2F)nc(N(C)C)n1 188281354 BYVYKJPYTPZOTK-UHFFFAOYSA-N 342.371 1.608 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@]2(CC(=O)O)CCCOC2)c(C)s1 1610477943 QXWXBSPWPFYNMM-CYBMUJFWSA-N 333.431 1.667 0 40 EDAB CC(=O)N1CCN(C2COC2)C[C@H](Cc2cnc3ccccc3c2)C1 1615155739 PXGBAWSFLHECTI-QGZVFWFLSA-N 339.439 1.956 0 40 EDAB COCC(=O)N1CCC[C@H]1Cn1nc(-c2ccc(F)cc2)ccc1=O 12182335 LNXHSPLZIFXCER-HNNXBMFYSA-N 345.374 1.687 0 40 EDAB Cc1ccc2oc(=O)n(CC(=O)N(C)CCN3CCCCC3)c2c1 12206161 KIVMRKFLUQRESU-UHFFFAOYSA-N 331.416 1.847 0 40 EDAB O=C(CSc1ccc2ccccc2n1)NCCN1CCOCC1 16526047 VRMADKMXHRJRQQ-UHFFFAOYSA-N 331.441 1.775 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC)(C(=O)OC)N[C@H]2c1cccc(F)c1 19500773 OFRUCNWWBRLFDL-MOROJQBDSA-N 348.374 1.413 0 40 EDAB CNc1nc(C2CCN(C(=O)CCOC)CC2)nc2c1CN(C)CC2 19711113 UOSXGLBPBVLVID-UHFFFAOYSA-N 347.463 1.249 0 40 EDAB Cn1cc(CCNC(=O)NCC2(N)C3CC4CC(C3)CC2C4)cn1 521004058 QZVCKAOLRDQGGB-UHFFFAOYSA-N 331.464 1.415 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)CCc2cccs2)cc1 6851815 KWLDEXCHNMUJAL-UHFFFAOYSA-N 338.454 1.687 0 40 EDAB COc1ccc(CC(=O)N2CCN(C(=O)C3CC3)CC2)c(OC)c1 25166713 PAAHDGBZBCOAJR-UHFFFAOYSA-N 332.400 1.327 0 40 EDAB CN1C[C@@]2(COCC1=O)CN(Cc1cc(F)cc(F)c1)CCO2 2037983926 LBYYXEONBJCYQG-INIZCTEOSA-N 326.343 1.024 0 40 EDAB COCCN1CCCC2(CCN(C(=O)CC3(O)CCC3)CC2)C1=O 2056214937 BCJWCUNRSBDFPL-UHFFFAOYSA-N 338.448 1.169 0 40 EDAB O=C(c1ccnc(F)c1)N1CC[C@@H]2C[C@@]21C(=O)NCc1cccnc1 2056226502 SIUUJGOGKKZKNT-KDOFPFPSSA-N 340.358 1.537 0 40 EDAB Cn1cnc(C(=O)N2CCc3ncnc(-c4ccsc4)c3C2)n1 1565556100 MZEMJBXICHFNKK-UHFFFAOYSA-N 326.385 1.532 0 40 EDAB CC(=O)c1cc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)C3)n[nH]1 1565547970 VEIFUBWQCCZGLP-UHFFFAOYSA-N 344.415 1.477 0 40 EDAB Cc1c(C)n2c(SCC(=O)OCc3ccccc3)nnc2[nH]c1=O 4250448 PSWIMEYBUQDXLS-UHFFFAOYSA-N 344.396 1.870 0 40 EDAB CSc1ncc(Br)c(N2CCN(C(C)=O)CC2)n1 2086883026 VTPRECQYKJFOCJ-UHFFFAOYSA-N 331.239 1.630 0 40 EDAB Cc1ccc(=O)n(CC2CCN(c3ncnc4c3cnn4C)CC2)n1 585503609 UXCDCSXEUMWKPJ-UHFFFAOYSA-N 339.403 1.145 0 40 EDAB O=c1ccc(-n2cccn2)nn1CC1CCN(C[C@@H]2CCOC2)CC1 585501767 LEVBDPJUQYALDU-INIZCTEOSA-N 343.431 1.178 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@@H](O)c1ccc2c(c1)CCO2 85559504 RZLPMKMSSCFEBM-CQSZACIVSA-N 346.408 1.149 0 40 EDAB CC(C)(C)c1cc(NC(=O)CN2CCC(N3CCNC3=O)CC2)on1 52216811 JRTCURQGFAOVNQ-UHFFFAOYSA-N 349.435 1.400 0 40 EDAB CCCS(=O)(=O)NC1CCN([C@H](C(N)=O)c2ccccc2)CC1 30135463 GAWLIHAHBKAHQY-HNNXBMFYSA-N 339.461 1.007 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NNc2cccc(Cl)n2)cc1 20031415 NBSZMCALWHJPMR-UHFFFAOYSA-N 340.792 1.999 0 40 EDAB Cc1cccc(/C=C/C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1 30583911 BOIGSLOFCFXKCF-SCOAYWHSSA-N 336.457 1.939 0 40 EDAB O=C(CN1CCOc2ccccc21)NC[C@H]1COc2ccccc2O1 30594487 FGCCZGLXLCRCHM-AWEZNQCLSA-N 340.379 1.842 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)C)cc1F 40105661 FHJVNGRUVWHGML-CQSZACIVSA-N 330.425 1.915 0 40 EDAB CCOc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 100702661 VDSMPBBTWGCCGH-COXVUDFISA-N 345.395 1.776 0 40 EDAB O=C1CN(C(=O)Nc2ccccc2I)CCN1 40525534 GDLLHTXEOFFPFH-UHFFFAOYSA-N 345.140 1.255 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)NCc1nnc3n1CCC3)CO2 40540834 GMSLUACQMFZHJI-UHFFFAOYSA-N 340.383 1.715 0 40 EDAB O=C1CN(c2ccc(NC(=O)NCCc3ccsc3)cn2)CCN1 40540898 CGAKCQMPIGTVAQ-UHFFFAOYSA-N 345.428 1.444 0 40 EDAB Cc1cc(NC(=O)[C@H](C)S(=O)(=O)Cc2nc(C3CC3)no2)no1 40528736 GVEPOKGLIIEXHA-QMMMGPOBSA-N 340.361 1.185 0 40 EDAB CN1C[C@H](C(=O)N[C@@H](c2ccccc2F)c2nccn2C)CC1=O 32319819 JSNGAJMZZFSBCJ-ABAIWWIYSA-N 330.363 1.243 0 40 EDAB COc1cc(CNC(C)(C)CO)ccc1OCC(=O)NC(C)(C)C 359845 JKJGCAYXOUPLHM-UHFFFAOYSA-N 338.448 1.849 0 40 EDAB C[C@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)NC(C)(C)C 32776094 UANWQJHJPYJSPT-JTQLQIEISA-N 327.402 1.550 0 40 EDAB Cc1c([C@H](C)NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cnn1C 52578526 VDGVTSBPBPWTRU-NSHDSACASA-N 329.404 1.784 0 40 EDAB CCCc1nc(C)c(C(=O)NCC2(C(N)=O)CCOCC2)s1 52744899 KDJKETUUCIWLTE-UHFFFAOYSA-N 325.434 1.416 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc(N(C)C)nc2)C1=O 22421250 KOIVETPJLHFIJK-LBPRGKRZSA-N 340.383 1.900 0 40 EDAB CCN(CC)C(=O)[C@H](Nc1ccc2nnnn2n1)c1ccccc1 53581697 UHAVRZBTWATRGY-OAHLLOKOSA-N 325.376 1.541 0 40 EDAB C[C@@H](NC(=O)[C@H](O)CN1CCCCC1)[C@H]1COc2ccccc2O1 1275122 LQMCJXNMRPKICH-CKEIUWERSA-N 334.416 1.178 0 40 EDAB O=C(O)CC1(CC(=O)NCCc2c[nH]c3ccccc23)OCCO1 1716917 RSDNDBWIGNKNFC-UHFFFAOYSA-N 332.356 1.435 0 40 EDAB Cc1cc(C)n(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)n1 2780743 KPEGVBMJRGEVQL-UHFFFAOYSA-N 330.388 1.468 0 40 EDAB CC(=O)NCC1CCN(C(=O)NCc2ccc3c(c2)OCCO3)CC1 43163227 CNCPMBUXAMDAPV-UHFFFAOYSA-N 347.415 1.516 0 40 EDAB O=C(c1cc(=O)c2ccccc2o1)N1CCC(N2CCNC2=O)CC1 55785993 AOEFMFPUKXWLAL-UHFFFAOYSA-N 341.367 1.423 0 40 EDAB COC(=O)CCN(CC(=O)Nc1sccc1C(N)=O)CC(C)C 58190770 RMLZVLBYQPUOIH-UHFFFAOYSA-N 341.433 1.307 0 40 EDAB COc1ccc(OC)c2c1CN(CC(=O)N1CCCC[C@H]1C)C[C@H]2O 44889345 ICXRGWQGPQVFSG-UKRRQHHQSA-N 348.443 1.954 0 40 EDAB Cn1ccnc1[C@@](O)(CC(=O)NCCc1cccs1)C(F)(F)F 44895988 ZVGZIVIJABISOB-ZDUSSCGKSA-N 347.362 1.981 0 40 EDAB Cn1cc(C(=O)NCC[C@@](O)(c2ccccc2)C(F)(F)F)cn1 58230753 HQUZTNUANKSQIO-CQSZACIVSA-N 327.306 1.990 0 40 EDAB C[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)N1CCOCC1 58266358 TWICWJQSXVKXKU-IINYFYTJSA-N 338.791 1.007 0 40 EDAB COc1ccccc1N1CC[C@@H](CNS(=O)(=O)N(C)C(C)C)C1 58295902 CWPUANZRUWERKV-AWEZNQCLSA-N 341.477 1.696 0 40 EDAB COC(=O)c1ccc(N2CCN(C(=O)c3cnccn3)[C@H](C)C2)cc1 58264688 INPWQERAFREPQS-CYBMUJFWSA-N 340.383 1.614 0 40 EDAB CN1N=C(C(=O)NCCNc2nc3ccccc3s2)CCC1=O 44915258 BVQNUHRRISZBCZ-UHFFFAOYSA-N 331.401 1.433 0 40 EDAB Cc1cc(NC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)no1 44968463 SJVQSPIBLJKEBC-GFCCVEGCSA-N 347.297 1.678 0 40 EDAB COCCCNS(=O)(=O)c1cnc(Cl)c(Br)c1 2177733 BGMBNOYESJXFAH-UHFFFAOYSA-N 343.630 1.812 0 40 EDAB COC(=O)[C@H]1c2ccccc2CCN1CC(=O)NC(=O)NC(C)(C)C 95405160 YLFKYUNOZRLQIP-OAHLLOKOSA-N 347.415 1.383 0 40 EDAB O[C@@H](COCc1ccccc1F)Cn1nnc(-c2cccnc2)n1 58369240 KDTYSCKVMDZJSP-CQSZACIVSA-N 329.335 1.452 0 40 EDAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1cc(Cl)cc2c1OCOC2 58935145 DSMKEHXKUDCISA-MRVPVSSYSA-N 333.793 1.256 0 40 EDAB CCn1cnnc1CNC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 46965083 OWPVVTKWZWORKG-NSHDSACASA-N 342.403 1.743 0 40 EDAB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@@H]2c1ccccc1 8990851 XMNYMJYYMYEEJS-HNNXBMFYSA-N 325.372 1.212 0 40 EDAB O=C(Cn1nnn(-c2ccccc2)c1=O)NCc1ccc(Cl)cc1 12977969 WQWZPDJJWWZCGN-UHFFFAOYSA-N 343.774 1.399 0 40 EDAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCCO1 48918876 LWOPQPQWFMZRKJ-LBPRGKRZSA-N 341.205 1.442 0 40 EDAB COc1cccc(NC(=O)Cn2nc3c(cc2=O)CSCC3)c1 71289094 NOTVVBKRDYIKJQ-UHFFFAOYSA-N 331.397 1.680 0 40 EDAB CC(C)Cc1nnc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)s1 49590148 LUIWKKSFNHSQFR-VIFPVBQESA-N 332.451 1.099 0 40 EDAB NC(=O)Cn1cc(NC(=O)NC[C@H]2CCCc3ccccc32)cn1 65440905 OGNHUNTVFFIBCF-CYBMUJFWSA-N 327.388 1.610 0 40 EDAB CCNC(=O)NCCCOC(=O)c1sc(-c2ncccn2)nc1C 65536392 CCAYYRRFSWMPAW-UHFFFAOYSA-N 349.416 1.775 0 40 EDAB CC1(C)CC(=O)c2cc(C(=O)NCCCn3cccn3)c(=O)[nH]c2C1 65565074 WVRNOHCSSORTLF-UHFFFAOYSA-N 342.399 1.547 0 40 EDAB C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5359190 HYWCPOJFLOLTGN-SECBINFHSA-N 340.430 1.187 0 40 EDAB Cc1nccn1-c1ccccc1CNC(=O)C1=NN(C)C(=O)CC1 65739888 BZIVZWNSKIQTFC-UHFFFAOYSA-N 325.372 1.405 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)C3(CCCC3)N=C2O)c1 4547897 STCQVOGXBWIEDU-UHFFFAOYSA-N 344.371 1.653 0 40 EDAB COc1cccc2cc(C(=O)NCCCN3CCOCC3)c(=O)oc12 19706377 ZWTZJTIXHSZQPM-UHFFFAOYSA-N 346.383 1.254 0 40 EDAB COc1cc(OC)cc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1 14254512 KZLMHVBQCCIPQV-QGZVFWFLSA-N 336.432 1.790 0 40 EDAB O[C@@H](COc1ccccc1)CN1CCN(Cc2cscn2)CC1 65952959 IEEXCSOVBWOFPY-MRXNPFEDSA-N 333.457 1.701 0 40 EDAB COc1ccc([C@@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)c(OC)c1 9348116 XYBASQVJTHRIFZ-JTQLQIEISA-N 347.396 1.983 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccccc4)[C@H]3C2)no1 306134444 NNNUICZQCIFEFY-CGTJXYLNSA-N 341.411 1.860 0 40 EDAB COCC(=O)Nc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1 66159014 USAKNPKGVIITKZ-INIZCTEOSA-N 346.431 1.974 0 40 EDAB C[C@H](C(=O)NC(N)=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 67401380 GPMQFQRDNVDDIK-YGRLFVJLSA-N 339.823 1.669 0 40 EDAB NC(=O)N[C@H](CC(=O)N1CCC[C@@H](n2ccnc2)C1)c1cccs1 71796533 ADISTVCZWOTLTI-CHWSQXEVSA-N 347.444 1.908 0 40 EDAB O=C(CCNC(=O)c1ccco1)N[C@H](Cc1ccccc1)C(=O)O 8156876 LSGJQHFYYNFHNG-CYBMUJFWSA-N 330.340 1.212 0 40 EDAB CCOC(=O)c1sc(NC(=O)c2cc(=O)c(OC)c[nH]2)nc1C 61720035 FOLDRNGOCOOJAF-UHFFFAOYSA-N 337.357 1.577 0 40 EDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1 8205554 YBYMAWHPWBTXKF-UHFFFAOYSA-N 329.381 1.754 0 40 EDAB O=C1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)N1 71896687 CORMXUDPMGYNJU-ABAIWWIYSA-N 337.370 1.324 0 40 EDAB CCCSCC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69454297 ULVJTCUVICIUSG-UHFFFAOYSA-N 346.456 1.991 0 40 EDAB Cc1ccccc1-c1noc(=O)n1CCCN1C(=O)NC(C)(C)C1=O 69417775 WKCJMIMEGVNNHT-UHFFFAOYSA-N 344.371 1.532 0 40 EDAB COc1cccc(N2CC[C@@H](CNC(=O)CN3CSCC3=O)C2)c1 69532903 HSZPEADKACBYPR-ZDUSSCGKSA-N 349.456 1.171 0 40 EDAB Cc1cc(NC(=O)CNC(=O)/C=C/c2ccccc2)ccc1C(N)=O 69513693 IGHQOTFTQSRJDK-JXMROGBWSA-N 337.379 1.862 0 40 EDAB CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccccc2)CC1 69597302 GFAMORDOQXZNKL-MRXNPFEDSA-N 337.489 1.477 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)Nc3cc(C)n[nH]3)CC2=O)cc1 69581386 KZLUTJWPSYLYLY-ZDUSSCGKSA-N 328.372 1.714 0 40 EDAB COc1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c(F)c1 69657998 AHPNRONUBDQLCN-UHFFFAOYSA-N 346.406 1.916 0 40 EDAB COc1ccccc1CN1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 69657426 ADCIFEGCFFGTNR-UHFFFAOYSA-N 341.411 1.352 0 40 EDAB NC(=O)[C@H]1CN(C(=O)[C@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)CCO1 110658578 ZBCCTTSYOJABGW-MIALQEHNSA-N 342.439 1.748 0 40 EDAB CCOC(=O)C(=O)N1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 71911439 FALNOQFNDMJVET-UHFFFAOYSA-N 348.374 1.091 0 40 EDAB COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2ccccc2OC)cn1 69742383 TZXQXWPUGQCRPH-ZIAGYGMSSA-N 341.367 1.710 0 40 EDAB CN(C(=O)CN[C@H]1CCc2ncnn2C1)[C@@H]1CCCc2ccccc21 69740421 PCIQUXZGHBXERC-DOTOQJQBSA-N 339.443 1.719 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H]3CCCCN3C(C)C)CC2)on1 69920500 GZRODDXJXQLTIB-KRWDZBQOSA-N 334.464 1.890 0 40 EDAB COc1ccccc1-c1nn(C)cc1C(=O)N1CCN(C(C)=O)CC1 71920797 ITISLJHTXAJTLI-UHFFFAOYSA-N 342.399 1.400 0 40 EDAB CN(C)c1nccc(CNC(=O)NCc2ccc3c(c2)OCO3)n1 95462878 NVWYYGZVXYMFBY-UHFFFAOYSA-N 329.360 1.271 0 40 EDAB CC(C)(NS(C)(=O)=O)C(=O)NCc1cc2cc(F)ccc2s1 72297124 YWLSCHRMJCHHKW-UHFFFAOYSA-N 344.433 1.984 0 40 EDAB O=C(c1ccnc(N2CCCC2)n1)N1CCC[C@H](n2cncn2)C1 72292359 MOBRGXIYGRWEML-ZDUSSCGKSA-N 327.392 1.146 0 40 EDAB Cc1nc(C2CCN(C(=O)c3ccccc3S(C)(=O)=O)CC2)n[nH]1 72297743 OXLUSQYJWKCDEV-UHFFFAOYSA-N 348.428 1.536 0 40 EDAB CC[C@H](C)OCC(=O)N[C@H](CC)c1cccc(S(N)(=O)=O)c1 97229553 NSXFZICEXKGNPT-SMDDNHRTSA-N 328.434 1.716 0 40 EDAB COc1ccc(COC[C@@H](O)CN2CCn3c(nc(C)c3C)C2)cc1 97201614 OSKIDHRTJPUAAK-KRWDZBQOSA-N 345.443 1.902 0 40 EDAB CN1CCC[C@H](N(C)C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 72497348 AXAYEZGNSYAPEA-RBUKOAKNSA-N 345.487 1.830 0 40 EDAB Cc1nccn1-c1ccc(NC(=O)CN(C)[C@H]2CCSC2)cn1 95978324 NBBWXAYHZCFCHU-AWEZNQCLSA-N 331.445 1.952 0 40 EDAB CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 89368803 GKAHJVRJFRGUFE-UFBFGSQYSA-N 344.820 1.151 0 40 EDAB CN1N[C@@H](c2cccs2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 170621079 ZIEJQJNYJCOWCB-SOUVJXGZSA-N 327.409 1.793 0 40 EDAB Cc1cc(C)n(CCN2CCO[C@H](CN(C)c3cccnn3)C2)n1 89594199 DCZYHZCMLGRGIX-MRXNPFEDSA-N 330.436 1.127 0 40 EDAB c1csc(N2CCN(c3cc(C4CC4)nc4ncnn34)CC2)n1 75106794 HXCRLDVMHALDKN-UHFFFAOYSA-N 327.417 1.785 0 40 EDAB COc1ccc(-n2nnnc2SCc2nc(C)cc(=O)[nH]2)cc1 75109703 BEXQYPUOMYCJTA-UHFFFAOYSA-N 330.373 1.355 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)c1cncn1-c1ccccc1)C2 75129075 WRPXQLPZWBONAN-UHFFFAOYSA-N 348.410 1.927 0 40 EDAB Cc1ccc(C(=O)NCCS(=O)(=O)Cc2ccccc2)c(=O)[nH]1 75119794 OSSGCDAHZBZBDR-UHFFFAOYSA-N 334.397 1.028 0 40 EDAB NS(=O)(=O)c1cccnc1NCc1ccc(-n2cccn2)cc1 89773326 USRPKOUOAUBNAV-UHFFFAOYSA-N 329.385 1.527 0 40 EDAB CC[C@@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)C[C@@H]1N(C)C 89948409 BQYHXCLXELDMAW-PBHICJAKSA-N 342.443 1.585 0 40 EDAB O=c1n(Cc2nccn2CC(F)(F)F)nnn1-c1cccs1 68279019 CDHTTWAGDWSNSH-UHFFFAOYSA-N 330.295 1.298 0 40 EDAB CCCc1ccc(S(=O)(=O)N2CCN([C@H]3CCOC3)CC2)cc1 89960458 IDIRASJQNWVPTP-INIZCTEOSA-N 338.473 1.734 0 40 EDAB O=C(C1CC1)N1C[C@@H]2[C@H](OCc3ccccc3)CCS(=O)(=O)[C@H]2C1 306125145 CIARAKSMAUKGMO-ZACQAIPSSA-N 349.452 1.627 0 40 EDAB Cn1c(O)nc(NC[C@H](c2ccccc2F)N2CCOCC2)cc1=O 1548453989 GZAXPJYWWGQPFY-CQSZACIVSA-N 348.378 1.110 0 40 EDAB COC(=O)c1ccccc1NC(=O)CN1C(=O)C(=O)c2ccccc21 409373977 ZXVOJBYODBLVIP-UHFFFAOYSA-N 338.319 1.641 0 40 EDAB CCN(CC)C(=O)Cn1nc(C2CC2)c(-c2cc(C)no2)cc1=O 72340378 LSGNBBUAIPIYNQ-UHFFFAOYSA-N 330.388 1.953 0 40 EDAB Cc1nc2ccnn2cc1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 556180507 SELPDJGPUXABES-CYBMUJFWSA-N 339.403 1.170 0 40 EDAB CCOC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)ccc2C)CCO1 530150769 JVAXJIPMCZBEHE-ZDUSSCGKSA-N 343.401 1.119 0 40 EDAB O=S(=O)(NCCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCO2 39979705 HCWGMNQIRZDPFL-UHFFFAOYSA-N 347.392 1.871 0 40 EDAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C)C(=O)O)ccc12 5908496 MJYPAMOKFYGEPF-ZJUUUORDSA-N 333.340 1.712 0 40 EDAB biogenic CN1C[C@H](NC(=O)C2(c3ccccc3Cl)CCOCC2)CC1=O 78656120 DZGURJQMRYDKHH-GFCCVEGCSA-N 336.819 1.735 0 40 EDAB CCOc1cc(C(=O)NCCO)cc(Br)c1OCC 33674937 GUDBZDRGMRRFEC-UHFFFAOYSA-N 332.194 1.969 0 40 EDAB O=C(O)CCN(C(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 217371576 ASYQJSOUVJQGIJ-LBPRGKRZSA-N 345.804 1.444 0 40 EDAB Cc1nc(C)c(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)s1 238912421 SHHBOEBZPYVRSP-STQMWFEESA-N 345.424 1.536 0 40 EDAB CCN(CC)c1nc(C)cc(C(=O)Nc2cccc(C(N)=O)c2)n1 72240382 MAMFPVVSSHTRMM-UHFFFAOYSA-N 327.388 1.982 0 40 EDAB C[C@H](N)C(=O)N1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79413024 XECUJGRRHADWMX-BBRMVZONSA-N 331.416 1.736 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@]2(N)CO)cc1 218570867 HJGLTZLPAOUQSF-ULQDDVLXSA-N 335.400 1.764 0 40 EDAB CCn1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)n1 72241528 JBDLPNIXEBVTGD-HZPDHXFCSA-N 346.362 1.579 0 40 EDAB COc1cccc([C@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCCO3)c1 72227685 BLOSDCBOTFCRPR-SJORKVTESA-N 326.352 1.882 0 40 EDAB COC[C@@H](NS(=O)(=O)c1ccc(C(=O)O)nc1)c1ccc(C)o1 566178178 WOFORWCHLUDBLL-GFCCVEGCSA-N 340.357 1.347 0 40 EDAB C[C@@H](O)CN([C@H](C)Cc1ccc(Cl)cc1)S(=O)(=O)N(C)C 225686320 VYVKAXWEPVERJJ-VXGBXAGGSA-N 334.869 1.760 0 40 EDAB CC[C@@H](CO)N1CCN(C(=O)Cc2cc(F)c(F)cc2F)CC1 195546426 TYDKSROITGEFOP-LBPRGKRZSA-N 330.350 1.562 0 40 EDAB COc1nc(C)ccc1CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1 69874944 BXZGTXSVRQSQMK-AWEZNQCLSA-N 349.456 1.716 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 47322632 JCXCRNQPSQDBCK-LLVKDONJSA-N 329.397 1.619 0 40 EDAB COC(=O)c1cnc(N2CCOCC2)nc1COc1cccc(C)c1 41659576 DXXIULILWMVAQW-UHFFFAOYSA-N 343.383 1.987 0 40 EDAB COC(=O)c1ccc(CS(=O)(=O)NCCOc2ccccc2)cc1 224343124 YDKOBWRBBKAQDK-UHFFFAOYSA-N 349.408 1.972 0 40 EDAB C[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)[C@@H]1CCCCN1 583651097 FKQQJWQVRDGWRU-QAPCUYQASA-N 331.460 1.779 0 40 EDAB O=C1[C@H](N2CC[C@H](O)C2)CCN1c1cccc(Br)c1 192072904 XAFLLVGZDXJGTC-QWHCGFSZSA-N 325.206 1.621 0 40 EDAB CN(Cc1ccco1)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181665 GZCPICAFTRNAHG-IAGOWNOFSA-N 346.358 1.976 0 40 EDAB CN(C)C[C@@H]1CCC[C@]2(CCN(S(=O)(=O)c3cccnc3)C2)O1 96209113 JFNUWEDUCVJTJX-GOEBONIOSA-N 339.461 1.346 0 40 EDAB CN(C)c1nccc(N2CCN([C@@H]3Cc4ccccc4[C@@H]3O)CC2)n1 96493071 GKHNYDUKTOCBKU-AEFFLSMTSA-N 339.443 1.323 0 40 EDAB NS(=O)(=O)CCN1CCN(Cc2cc3ccccc3s2)CC1 93740973 JOQKDYZURJCOAO-UHFFFAOYSA-N 339.486 1.307 0 40 EDAB O=C(c1ccco1)N1C[C@@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 96082002 MHZPEOBDFSBPEY-GJZGRUSLSA-N 325.368 1.795 0 40 EDAB O=C(NCC[C@@H](O)c1ccccc1)C(=O)NCc1ccc(F)cc1 81251539 CDLINWGVZHWMDX-MRXNPFEDSA-N 330.359 1.682 0 40 EDAB Cc1ccc(N2CCC3(CC2)[C@H](c2cnn(C)c2)CC(=O)N3C)nn1 96199851 UVPQAXUCDRENMV-HNNXBMFYSA-N 340.431 1.503 0 40 EDAB CCCN(C)C[C@H]1CCN(S(=O)(=O)c2cccc3nonc23)C1 96476651 SGQHDMLFNYVIGE-GFCCVEGCSA-N 338.433 1.575 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1)C2 96039544 VUDCCYSVOXEDQX-MJGOQNOKSA-N 347.459 1.671 0 40 EDAB COC[C@@H]1CC2(CCN(C(=O)c3cccnc3OC)CC2)CN1C 96208264 ZDQMROKGQOYNNM-AWEZNQCLSA-N 333.432 1.663 0 40 EDAB NC1CCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 237876744 WOXBWMWRCMLPFU-UHFFFAOYSA-N 326.315 1.956 0 40 EDAB COCCNC(=O)[C@H]1CN(Cc2cccs2)Cc2ccnn2C1 96188784 MSJOVWDTYKIBMH-ZDUSSCGKSA-N 334.445 1.339 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CCN(C)C1=O)c1ccc(-n2cccn2)cc1 96440695 BUDZOPIQLBGWBW-DOMZBBRYSA-N 327.388 1.463 0 40 EDAB COc1ncnc2c1CN(C[C@H](O)COc1ccc(F)cc1)CC2 97202047 CLYZVFZWASKXQK-ZDUSSCGKSA-N 333.363 1.422 0 40 EDAB Cn1cccc1C(=O)N[C@@H]1CN(Cc2ccsc2)[C@@H]2COC[C@H]12 96185132 BUDBNQMJBOLDBH-IIAWOOMASA-N 331.441 1.716 0 40 EDAB CC(C)(NCC(=O)N1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 96414857 MIHXWLKZPKGEIN-LBPRGKRZSA-N 337.851 1.889 0 40 EDAB Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CCN(c3ccncn3)C[C@@H]2O1 96066323 JGLCOIXRYXVZGC-IMJJTQAJSA-N 339.399 1.803 0 40 EDAB CCCCS[C@@H](C)C(=O)N1CCS(=O)(=O)c2c1c(C)nn2C 584907223 QZENBUPCZULYBP-NSHDSACASA-N 345.490 1.771 0 40 EDAB CCCCOc1ncccc1CNC(=O)[C@@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3 585090097 AGMMBXFITFIAKM-JQZVDIJISA-N 343.427 1.791 0 40 EDAB O=C(C[C@H]1COc2ccccc2O1)N[C@@H]1Cc2ccccc2NC1=O 529945716 SDCAMUBDXVNQAL-DZGCQCFKSA-N 338.363 1.896 0 40 EDAB Cc1cc(C(=O)NCc2nc(C)c(C(N)=O)s2)c2c(C)noc2n1 585130565 VACXUZBKJAQXHQ-UHFFFAOYSA-N 345.384 1.633 0 40 EDAB CCC[C@@H](C(=O)OCC)S(=O)(=O)N[C@H](C)Cc1c(C)noc1C 585115586 JBXRTUOJXZZWJX-YGRLFVJLSA-N 346.449 1.874 0 40 EDAB CNc1ncccc1CN1CCC[C@]1(C)c1nc(C)cc(C(N)=O)n1 257213458 CHRAQINWITXBDA-GOSISDBHSA-N 340.431 1.832 0 40 EDAB CC(=O)N1CCC(N2CCOC[C@@H](Cc3cc(C)ncn3)C2)CC1 257312136 UMQDRUJBBWWQOS-INIZCTEOSA-N 332.448 1.287 0 40 EDAB CNC(=O)[C@]1(CCCc2ccccn2)CCCN1Cc1ncc[nH]1 257266964 MFIQKMBDSILTFR-SFHVURJKSA-N 327.432 1.908 0 40 EDAB Cc1cnc([C@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)cn1 257270381 MUAHNOVROGSSFP-QGZVFWFLSA-N 343.383 1.822 0 40 EDAB CCc1cc(C(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)on1 257326552 WXPYNKGIPXFJBO-ZDUSSCGKSA-N 332.360 1.206 0 40 EDAB O=C(c1cc[nH]n1)N1CCOC[C@H](Cc2ccc3[nH]ncc3c2)C1 257220640 DLOHYHYSICNALD-CYBMUJFWSA-N 325.372 1.617 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(Cc2ccccn2)C1 257255701 KINIOUPJDMCEBA-ZDUSSCGKSA-N 334.445 1.663 0 40 EDAB Cc1ocnc1C(=O)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257326777 WYNVLJJURKUQSM-ZDUSSCGKSA-N 341.371 1.357 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H](c2ccnc(O)n2)C1 257201097 AGGXKWRASUVSDJ-GFCCVEGCSA-N 341.367 1.973 0 40 EDAB Cc1oc(S(C)(=O)=O)cc1C(=O)NC(C)(C)[C@H](O)C(F)(F)F 1615547449 IIRAMXGQKBDRFV-JTQLQIEISA-N 343.323 1.423 0 40 EDAB COc1nc(CNC(=O)c2cc(-c3ccccc3)on2)nc(OC)n1 575606314 HKJSZXYQFQFDEY-UHFFFAOYSA-N 341.327 1.474 0 40 EDAB CO[C@@]1(COc2ccccc2)CCN(C(=O)Cn2nc(C)nc2C)C1 585275851 HMQMZJKIZHLOMV-SFHVURJKSA-N 344.415 1.591 0 40 EDAB CS(=O)(=O)NC[C@@H]1CN(Cc2ccccc2F)Cc2ccnn21 585111922 JGDXKADAKJPICK-CQSZACIVSA-N 338.408 1.128 0 40 EDAB O=S1(=O)CCCN1Cc1cccc(-c2cnc3cncn3c2)c1 585099365 AUZADYNETYTFDV-UHFFFAOYSA-N 328.397 1.932 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1c[nH]nc1C 585288080 PBKDZKQDTZWMJC-SUMWQHHRSA-N 334.420 1.397 0 40 EDAB O=C(Cc1cccc(F)c1)N1C[C@H]2ON=C(C(=O)N3CCCC3)[C@H]2C1 585108884 BSFAGEOQVQMHHR-LSDHHAIUSA-N 345.374 1.204 0 40 EDAB CC[C@@](C)(CNc1nn2c(=O)cc(C)nc2s1)N1CCOCC1 48310931 PENWCUOFIAEQFK-HNNXBMFYSA-N 337.449 1.372 0 40 EDAB O=C(CN(C1CC1)[C@H]1CCc2ccccc21)NCC(=O)N1CCCC1 58175816 ZAUTWRSJRHQGSS-SFHVURJKSA-N 341.455 1.877 0 40 EDAB CCO[C@H](CC)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 58379380 LKBRFVJRTUQSRB-MRXNPFEDSA-N 333.432 1.267 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@](C)(O)CCSC)c(C)c1 75157569 FKPSNBTYLNLZNC-CQSZACIVSA-N 333.475 1.786 0 40 EDAB NC(=O)C1(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)CCCCC1 75120531 YIEVJWIVFWKVKB-UHFFFAOYSA-N 339.395 1.960 0 40 EDAB CC(C)Cc1nnc([C@H](C)N[C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)o1 76057103 AMILEJREWCWSNW-AVGNSLFASA-N 344.481 1.589 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Oc2ccc(C)cn2)CC1 95465435 LYGPKXFESFBGPB-MRXNPFEDSA-N 331.416 1.771 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)CCN1CCCC1 95410336 DQISEIFLDUBSHD-UONOGXRCSA-N 334.468 1.849 0 40 EDAB C[C@@H]1C[C@@H](NC(=O)N2CCC(CC(=O)N(C)C)CC2)CN1C1CC1 97080571 BMPARGMRSNCYGB-UKRRQHHQSA-N 336.480 1.512 0 40 EDAB Cc1ccc(N[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1C(N)=O 98014368 KDXHPOPHJGGEKO-HNNXBMFYSA-N 327.388 1.435 0 40 EDAB CN(C)CCNC(=O)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595915 SGPMNYNCWCTLIW-AOIWGVFYSA-N 343.471 1.756 0 40 EDAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 12157966 FZPDGWWZFHTUKH-RDBSUJKOSA-N 337.445 1.738 0 40 EDAB CCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 14401404 YVZJOCPQHXZZQI-UHFFFAOYSA-N 328.434 1.629 0 40 EDAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(=O)[nH]c1 15941076 VICDBCFODAZEAW-UHFFFAOYSA-N 335.310 1.754 0 40 EDAB COc1cc2c(cc1OC)CN(CC(=O)NCCn1ccnc1)CC2 19550729 MWXGTDTYINSJSZ-UHFFFAOYSA-N 344.415 1.075 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCC1CCN(c2ncc(F)cn2)CC1 252481704 CQRMRGZMKDOPOG-UHFFFAOYSA-N 346.410 1.612 0 40 EDAB Cc1ccsc1C(=O)NC1CCN([C@H]2CCS(=O)(=O)C2)CC1 575616943 OOGFRZWYAQLBEC-ZDUSSCGKSA-N 342.486 1.438 0 40 EDAB C[C@@H]1C[C@H]1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 4806605 WDWDJKCPLGLIOC-OGGXOPAASA-N 334.416 1.980 0 40 EDAB O=C([C@H]1[C@H]2COC[C@H]21)N1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 1565549405 WMQMADYBUSMTDK-UUAFKZMDSA-N 348.374 1.250 0 40 EDAB COc1nc(N2CCCC[C@@H]2C)nc(-n2nnc(C(C)=O)c2C)n1 54390 GMWYSRJCLABMMM-VIFPVBQESA-N 331.380 1.351 0 40 EDAB CCOCCCNC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O 6732936 KJLSVSSAYYCSBO-UHFFFAOYSA-N 339.417 1.074 0 40 EDAB CN(C)C(=O)C1(Nc2ccccc2)CCN(Cc2cn[nH]c2)CC1 2055754603 HRNQLUJRFQWIQV-UHFFFAOYSA-N 327.432 1.945 0 40 EDAB O=C(CCc1ccc[nH]1)N1C[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 2055751031 ZTLRNIREECPVNI-ROUUACIJSA-N 340.427 1.454 0 40 EDAB Cc1ncnc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c1C 2086881879 SMIVBRLDPUKJDR-CYBMUJFWSA-N 340.374 1.556 0 40 EDAB Cc1noc(CN2CCN(c3cccc(-n4cccn4)n3)CC2)n1 2298055240 LPOROOBLTIMLSW-UHFFFAOYSA-N 325.376 1.281 0 40 EDAB Cc1cc(S(=O)(=O)N2CC[C@H](CN)C2)ccc1Br 50246672 IQMLRCXWDVILRA-SNVBAGLBSA-N 333.251 1.727 0 40 EDAB Cc1cc(N2CCN(C(=O)CN3CCCC3=O)CC2)nc(C(C)C)n1 40468690 OOLKYNJZNMOEIE-UHFFFAOYSA-N 345.447 1.179 0 40 EDAB CCOc1ccccc1CCC(=O)N1CCN(S(C)(=O)=O)CC1 40473123 IRHGVGXZKQUKKH-UHFFFAOYSA-N 340.445 1.122 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c1 51161338 QUGWEIHFVDKXGV-LBPRGKRZSA-N 340.420 1.813 0 40 EDAB COc1ccc(N2C[C@H](C(=O)Nc3cn[nH]c3)CC2=O)cc1OC 40512216 FPAZORQMMAGYAI-SNVBAGLBSA-N 330.344 1.419 0 40 EDAB COc1cccc(N2C[C@H](C(=O)Nc3cc(C)nn3C)CC2=O)c1 40504839 YVMICOIVHPYBLF-GFCCVEGCSA-N 328.372 1.729 0 40 EDAB NC(=O)[C@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)CCO1 51616042 MAIVBYXNEZQBNT-OAHLLOKOSA-N 333.388 1.726 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2ccc(F)c3cccnc23)n(C)c1=O 32323550 DTXZKGHMQIPSQR-UHFFFAOYSA-N 339.330 1.169 0 40 EDAB COc1ccc(C)cc1CCNC(=O)[C@H](CCSC)NC(N)=O 32744850 ANESQDYYOURXCR-ZDUSSCGKSA-N 339.461 1.452 0 40 EDAB COc1ccc([C@H](C)N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)cc1 586731 REKWHZMALYIKHA-LNZRWYEDSA-N 329.352 1.623 0 40 EDAB CCS(=O)(=O)N[C@H](C)CCN1CCN(c2ccccc2)CC1 53646689 PZWUPUPDDGNABN-OAHLLOKOSA-N 325.478 1.527 0 40 EDAB CCOC(=O)N1CCN(C(=S)NC(=O)c2cccc(F)c2)CC1 271167 VRVBRCFCUVOUGH-UHFFFAOYSA-N 339.392 1.615 0 40 EDAB O=C(O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O 424181 RRSCOCBKMQFRPE-UHFFFAOYSA-N 327.134 1.317 0 40 EDAB O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2CCc3[nH]ncc3C2)C1 72864897 ICBYIBYVUKQCAR-CYBMUJFWSA-N 345.447 1.659 0 40 EDAB COC(=O)CCCN1CCN(C(=O)CCc2ccc(OC)cc2)CC1 78760543 OPNSRDPENKIQTM-UHFFFAOYSA-N 348.443 1.725 0 40 EDAB O=C(N1CCN([C@@H]2CCC[C@H]2O)CC1)C1(c2ccc(F)cc2)CC1 78789516 WHMLRRGLNIHRDG-IAGOWNOFSA-N 332.419 1.915 0 40 EDAB Cc1cc(C)n(CCCNC(=O)Cn2cnc3sccc3c2=O)n1 12593938 FHRZZUZJICTKHL-UHFFFAOYSA-N 345.428 1.478 0 40 EDAB Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccnc1 3274720 NDRXTBAHXGRPKP-UHFFFAOYSA-N 326.385 1.785 0 40 EDAB CN(C)S(=O)(=O)c1ccc2oc(S[C@@H]3CCOC3=O)nc2c1 7254578 QSXSDGOQEZUSPI-LLVKDONJSA-N 342.398 1.486 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3cnccn3)CC2)cc1F 24601790 BLPOBGACCWZGMT-UHFFFAOYSA-N 330.363 1.582 0 40 EDAB CCOC(=O)C1=NN[C@@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1 1288643 LVCDHUJPSSJMOW-OAHLLOKOSA-N 335.747 1.255 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(C)C)CC2)cc1 8131646 CYMAYBGYQHSJEL-UHFFFAOYSA-N 339.461 1.667 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2nc3c(s2)C[C@H](C)CC3)C1 97051550 RLHZEPIQVDDUGJ-NEPJUHHUSA-N 343.518 1.782 0 40 EDAB CN(C(=O)[C@H]1[C@H](C(=O)O)C1(C)C)[C@H]1CCc2ccccc2NC1=O 106710419 KHTOPLGFWYEBPT-BFHYXJOUSA-N 330.384 1.755 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)N(CC(C)C)CC(C)C)nn12 3295188 DNWAWNHDUALZTK-UHFFFAOYSA-N 347.419 1.730 0 40 EDAB C[C@@]12CC[C@H](C[C@@H]1C(=O)NCCO)[C@]1(C2)NC(=O)c2ccccc2N1 100117152 HWWAOQAOTRGOBO-YGRLIQCLSA-N 343.427 1.473 0 40 EDAB O=C(Cn1nc2ccccn2c1=O)N[C@@H]1CCc2c(Cl)cccc21 56338066 VCEGCHFTBFOAIU-CQSZACIVSA-N 342.786 1.953 0 40 EDAB C[C@H]1CN(C(=O)CNc2cc3c(cc2Cl)NC(=O)CO3)CCO1 25748476 FADNTFWYVDEKGE-VIFPVBQESA-N 339.779 1.330 0 40 EDAB Cc1ccc(F)cc1CN1CCN(C(=O)CN2CCOCC2)CC1 179902583 LFXYDMJJAWMLLA-UHFFFAOYSA-N 335.423 1.111 0 40 EDAB Nc1nc(COC(=O)[C@H]2CCCO2)nc(Nc2ccc(F)cc2)n1 26256000 OSFTUKYHKYGKSA-LLVKDONJSA-N 333.323 1.559 0 40 EDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCN(c2ccccc2O)CC1 57289917 OYHGAWBQGBLJQZ-NSHDSACASA-N 331.338 1.581 0 40 EDAB Cc1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1N 9697617 QTMCCPPNPGDNIN-UHFFFAOYSA-N 342.351 1.779 0 40 EDAB CN1CCOC[C@H]1C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 108370647 ZHPYGNSGTISKNE-IRXDYDNUSA-N 336.407 1.428 0 40 EDAB COc1cc(C(=O)Nn2c(C)nnc2SC)cc(OC)c1OC 9973261 GVXCXGUKFMZYFS-UHFFFAOYSA-N 338.389 1.718 0 40 EDAB O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NC[C@H]1CCCO1 27394780 BZRUOJDJFRLXAY-GFCCVEGCSA-N 331.372 1.047 0 40 EDAB O=C1CC2(CCN(C(=O)c3ccno3)CC2)CN1Cc1cccnc1 108529633 SCPCVCMPEAHQDE-UHFFFAOYSA-N 340.383 1.725 0 40 EDAB O=S(=O)(c1cccc2c(Cl)nccc12)N1CCCNCC1 22054650 CMDBORFMLULSDI-UHFFFAOYSA-N 325.821 1.872 0 40 EDAB in-vitro CCN(CCS(C)(=O)=O)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 44871202 HEYUIDMLEXTJTJ-UHFFFAOYSA-N 343.836 1.443 0 40 EDAB NC(=O)CC[C@H]1CCCN(C(=O)c2cc(Br)c[nH]2)C1 58299366 ASPLRGPDXKPRQP-SECBINFHSA-N 328.210 1.895 0 40 EDAB COc1cc(CNC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)ccc1O 58268120 IDVDLGOORAFOOE-CQSZACIVSA-N 334.416 1.912 0 40 EDAB O=C(NCc1ccnc(-n2cccn2)c1)c1ccnc(-n2ccnc2)c1 58325487 YQVUKQIETTXCPL-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB COCCOc1ncccc1C(=O)N[C@H](C(=O)OC)c1ccccc1 58341177 NCXGVTADDWGHRP-HNNXBMFYSA-N 344.367 1.751 0 40 EDAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)cc1 100187751 DGUPNGRGMKZIAX-JTOWHCCKSA-N 329.352 1.281 0 40 EDAB CCO[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1 36397364 APUMROCANFPZTL-ZDUSSCGKSA-N 342.461 1.758 0 40 EDAB NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 95395537 OVTDXYYBNUQRGX-SNVBAGLBSA-N 338.307 1.088 0 40 EDAB O=C(c1ccc(OCc2ccccc2)nc1)N1CCCS1(=O)=O 95350249 JQWKLUYHHZRGNH-UHFFFAOYSA-N 332.381 1.836 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COc3ccccc3C2)C1 48339960 XMAXOHCUFYSIRH-HUUCEWRRSA-N 332.400 1.975 0 40 EDAB CCc1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 11468004 VTSGZKLIUMBUBN-UHFFFAOYSA-N 325.372 1.721 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(F)cc3[nH]cnc23)C[C@@H]1N1CCOCC1 84736002 OWASEJNTPUNSCL-WBMJQRKESA-N 346.406 1.885 0 40 EDAB NC(=O)c1ccccc1NC(=O)CN1CCO[C@@H](c2ccccc2)C1 29536549 BBROSKRLEPNVCW-QGZVFWFLSA-N 339.395 1.798 0 40 EDAB CCOC(=O)c1[nH]ncc1CN1CCN(C(=O)c2ccccc2)CC1 95453770 QHPIKQMMKBBLFQ-UHFFFAOYSA-N 342.399 1.544 0 40 EDAB C[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 46254176 WZMGRYGYRXSPSI-VXGBXAGGSA-N 332.356 1.016 0 40 EDAB CCOCCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3406880 YELCESXBOYHRLP-UHFFFAOYSA-N 340.445 1.628 0 40 EDAB C[C@@H]1CCO[C@H]1C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 95446086 NBLMWWYOVLGESD-CXAGYDPISA-N 328.416 1.632 0 40 EDAB CC(=O)c1csc(-c2csc(Cn3ccc(=O)[nH]c3=O)n2)c1 95408402 DLRYIDZWPJXAIG-UHFFFAOYSA-N 333.394 1.973 0 40 EDAB CN1C[C@H](C(=O)NCc2cccc(OCc3ccccn3)c2)CC1=O 46924360 RKPFOOJICSGMPZ-OAHLLOKOSA-N 339.395 1.755 0 40 EDAB COc1c([C@H]2CCCN2C(=O)C2=NN(C)C(=O)CC2)c(C)nn1C 72234328 DAJSQUWNQASAKC-GFCCVEGCSA-N 333.392 1.009 0 40 EDAB CCOCCCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 13731229 MUOYESMHRFKNSA-UHFFFAOYSA-N 345.399 1.264 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(Cc2ccco2)C1 28649493 TZZDJEITLKQODZ-ZDUSSCGKSA-N 342.351 1.673 0 40 EDAB Cc1nc2n(c1C)CCN(Cc1ccc(S(=O)(=O)N(C)C)o1)C2 65464643 QLYVXXKPJBAFNJ-UHFFFAOYSA-N 338.433 1.359 0 40 EDAB CCOc1ccc([C@@H](C)NC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 65439987 TWXQZQLAIFBCAQ-CHWSQXEVSA-N 340.445 1.880 0 40 EDAB CC[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1OC 65531133 SZMBUULFIGEZBN-ZDUSSCGKSA-N 331.376 1.650 0 40 EDAB CC(C)n1ncc2cc(C(=O)NCc3nnc4ccccn34)cnc21 14196488 JHMJWGOEZZXDIF-UHFFFAOYSA-N 335.371 1.985 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCN(C(=O)c2ccco2)CC1 14168175 ZRWIBMQNKGCWFB-UHFFFAOYSA-N 331.372 1.802 0 40 EDAB Cc1noc(-c2ccc(C(=O)Nc3ccn(CCC(N)=O)n3)cc2)n1 84286812 AJIQJRGCJKLPJF-UHFFFAOYSA-N 340.343 1.369 0 40 EDAB CCN(C(=O)COc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 4504965 FSEZLRIQIYFVIM-CQSZACIVSA-N 325.430 1.718 0 40 EDAB NC(=O)c1ccsc1NC(=O)CCC(=O)NCc1ccccc1 14235620 QYOFZYWUFKPGCA-UHFFFAOYSA-N 331.397 1.882 0 40 EDAB Cc1nn(CCO)c(C)c1CNCc1cccnc1N1CCOCC1 97159955 NVBGNGZWXHCAKH-UHFFFAOYSA-N 345.447 1.014 0 40 EDAB CC(C)c1nnc2n1C[C@H](NC(=O)Cn1nnc3ccccc31)CC2 97198099 PHIHSLBLVQIAPF-GFCCVEGCSA-N 339.403 1.277 0 40 EDAB COc1ccccc1[C@H]1C[C@@H]1C(=O)NCCc1n[nH]c(=S)n1C 67051841 WVXXVPIVILHWSK-NEPJUHHUSA-N 332.429 1.949 0 40 EDAB Nc1nc(N)nc(SCC(=O)N[C@@H]2CCCc3ccccc32)n1 4921225 UUTAJNXXRACTAJ-LLVKDONJSA-N 330.417 1.322 0 40 EDAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)NC[C@@H]1CCCO1 9502621 AJXAWHZTQVFSPN-SCZZXKLOSA-N 328.463 1.888 0 40 EDAB CC1CCN(C(=O)CN2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 70037725 TZEJTWRTQJGTQH-LJQANCHMSA-N 345.487 1.596 0 40 EDAB CCc1nnc2n1CCN([C@H](C(=O)NC1CC1)c1ccccc1)C2 69456706 FZGRDPPGUWGOMN-KRWDZBQOSA-N 325.416 1.676 0 40 EDAB CNC(=O)[C@@H]1CCCN1CC(=O)NC(=O)Nc1ccc(C)cc1C 69415178 FKVHWMKQHZXMGT-AWEZNQCLSA-N 332.404 1.162 0 40 EDAB CCc1nc(CN2CCN([C@H](C)c3nc(C4CC4)no3)CC2)no1 69443011 KQIYBMJNIACYMM-LLVKDONJSA-N 332.408 1.771 0 40 EDAB COC(=O)CN1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1 69454275 GQQRFKZTFUIVJH-UHFFFAOYSA-N 333.432 1.966 0 40 EDAB CC(C)CN1CCC(C(=O)N2CCCN(c3cccnn3)CC2)CC1 71860353 PILGDUSGYHKDJH-UHFFFAOYSA-N 345.491 1.883 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O 306123977 BCARQBMMIADORU-MRVWCRGKSA-N 327.446 1.085 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)NC1CCN(C2CC2)CC1 69535233 NBJMGBBIQORKDI-UHFFFAOYSA-N 326.441 1.437 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)ccc1-n1cnnn1 69655268 CTXQWMMTVDVPNB-IAGOWNOFSA-N 340.431 1.670 0 40 EDAB Cc1ccccc1OCCN1CCN(CCn2ccccc2=O)CC1 69630592 WTDWJCUYZAPMLU-UHFFFAOYSA-N 341.455 1.853 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)C1=Cc3ccccc3OC1)C2 71860195 MNXGULCZBRZVSN-UHFFFAOYSA-N 336.395 1.903 0 40 EDAB COc1cccc([C@@H]2CCCN2C(=O)CN2CCCS2(=O)=O)c1 69705571 UPHMFUMMXSRLTG-HNNXBMFYSA-N 338.429 1.394 0 40 EDAB Cc1cnn(C[C@@H](C)N[C@H](C)C(=O)Nc2sccc2C(N)=O)c1 69742488 PPDGYSIVZRUHMG-GHMZBOCLSA-N 335.433 1.357 0 40 EDAB O=C1CN(CC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)C(=O)N1 69873751 JNSFVFUUIFQISU-LLVKDONJSA-N 342.355 1.086 0 40 EDAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)NCCO)c1 83869632 PKQLWJUEVCSQLZ-UHFFFAOYSA-N 349.412 1.626 0 40 EDAB Nc1cc(Cl)ccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 8746105 LDAAOPOEQKVYRX-UHFFFAOYSA-N 346.770 1.965 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCc2ccccc2C1 8982270 APNPEFPVNYTVJO-UHFFFAOYSA-N 349.390 1.665 0 40 EDAB Cc1nc2ccccc2n(CC(=O)N=c2[nH]c3ccccc3[nH]2)c1=O 72405475 BKPDXAHOQIQUHK-UHFFFAOYSA-N 333.351 1.642 0 40 EDAB CN(Cc1ccncc1)C(=O)CNC(=O)Cc1ccc(F)c(F)c1 87239592 NHHGQRORUGMFFT-UHFFFAOYSA-N 333.338 1.677 0 40 EDAB CCN(Cc1ccc(Br)s1)C(=O)[C@H]1COCCN1 88370413 DFACVNQQTYXNSJ-SNVBAGLBSA-N 333.251 1.848 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N1CCO[C@H](Cc2ccccc2)C1 95988884 XLJPKFVAFQVXGB-GDBMZVCRSA-N 329.404 1.320 0 40 EDAB O=C(Cn1ccnc1)NC[C@H](O)COc1cccc(Cl)c1Cl 89768061 XUIWYCCURRSRJB-JTQLQIEISA-N 344.198 1.746 0 40 EDAB CCc1nc2n(n1)C[C@H](NCC(=O)N1CCCc3ccccc31)CC2 75603566 RXJGBLVLUCJUFQ-OAHLLOKOSA-N 339.443 1.724 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 76045982 ZTMFZGNYTYUKOH-GFCCVEGCSA-N 335.433 1.665 0 40 EDAB C[C@H]1CN(C(=O)c2c[nH]c3ccccc3c2=O)C[C@H]1N1CCOCC1 76056754 UTFFENDYRCNLCV-SUMWQHHRSA-N 341.411 1.321 0 40 EDAB Cc1c(CCC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2cc(O)ccc12 11867580 CWMLRUNGSXECOH-MRXNPFEDSA-N 347.367 1.965 0 40 EDAB biogenic NC(=O)[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2)c2ccccc2O1 7307235 BXVVAAUKKWMKEB-OFAQMXQXSA-N 344.392 1.740 0 40 EDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCCc1ccc(F)cc1F 79098711 RVKQNPJNGKANPS-NSHDSACASA-N 348.415 1.972 0 40 EDAB COC[C@@H](C)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)O 217566791 GWYQXKITUBJKPD-SNVBAGLBSA-N 344.433 1.908 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@H]3C[C@H]3c3cccc(F)c3)CC2)no1 79001629 KGQNMACMNLIXAI-HOTGVXAUSA-N 344.390 1.965 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2cccc3c2OCO3)CC1 69772311 HXUJOATZCAJFNY-HNNXBMFYSA-N 334.416 1.580 0 40 EDAB Cc1noc([C@@H]2COCCN2Cc2ccc(N3CCCC3)nc2)n1 188476589 KGURDJLEMQBANI-HNNXBMFYSA-N 329.404 1.947 0 40 EDAB CCOCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1F 72241626 NJXOKJTTYQKRQT-CVEARBPZSA-N 338.379 1.267 0 40 EDAB CNc1ncccc1CN1CC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 72370015 LSKZIQOQOXESSU-LBPRGKRZSA-N 328.420 1.538 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NCc3nc(C)no3)CC2=O)cc1 44454125 BCNPFCIKBMSYMI-NSHDSACASA-N 330.344 1.056 0 40 EDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 44666797 AEAHLOFGXRSICV-AWEZNQCLSA-N 333.432 1.506 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)NCCN(C)C3CC3)CC2=O)c1 63118556 KAPPJSFQVHKQBI-ZDUSSCGKSA-N 331.416 1.259 0 40 EDAB CCNS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 224531541 OCXKDPGBGRVMET-UHFFFAOYSA-N 326.403 1.397 0 40 EDAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccncc1 85467732 JJFDCIIOKJNGGL-MRXNPFEDSA-N 342.374 1.587 0 40 EDAB C[C@H](C(=O)Nc1nccs1)N1C[C@H](c2ccccc2)[C@@H](C(N)=O)C1 570805073 FIKVNISVJRWTIV-BNOWGMLFSA-N 344.440 1.671 0 40 EDAB CCCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)cc1 225954461 XJDKENQNMMWAOO-AWEZNQCLSA-N 328.434 1.592 0 40 EDAB Cc1cnc(C)c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 195563649 AHGRAKPRFZEJBG-MRXNPFEDSA-N 325.416 1.442 0 40 EDAB Cc1ncsc1C(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225783096 ZHGNQLVBCQJWMO-UHFFFAOYSA-N 344.371 1.797 0 40 EDAB COc1ccc(NC(=O)C(C)(C)CNS(C)(=O)=O)c(OC)c1 225959225 IEUWQLBLHNDUCZ-UHFFFAOYSA-N 330.406 1.218 0 40 EDAB COC[C@@H](NS(=O)(=O)c1scnc1C(=O)O)c1ccc(C)o1 576224516 VCYSJGNAKLRYNX-MRVPVSSYSA-N 346.386 1.409 0 40 EDAB Cn1cc(N2CCC[C@H](NC(=O)N3CCSC(C)(C)C3)C2)cn1 83734978 RTXLGGQRJNYSEM-ZDUSSCGKSA-N 337.493 1.926 0 40 EDAB COc1ccccc1C[C@@H](C)N(C)C(=O)NC[C@H]1CN(C)CCN1C 96440118 WHKXXVBZPNCXFN-WBVHZDCISA-N 348.491 1.513 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@@H]12)N1CCOCC1 96057226 VJUPXZJMIZMRIP-ZACQAIPSSA-N 334.416 1.223 0 40 EDAB C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1Cc1ccoc1 96062006 HZHUAFKHVTTXNN-OAHLLOKOSA-N 329.448 1.800 0 40 EDAB Cc1cc(CN2CC[C@H]3OCC[C@@]3(CCNC(=O)N(C)C)C2)no1 96209711 CRHPUJPDAQFOTL-WBVHZDCISA-N 336.436 1.625 0 40 EDAB O=C(NCC1CCOCC1)[C@H]1C[C@H]2[C@H](CCN2Cc2ccccn2)O1 96183669 CRLASLOQRKQWNH-OKZBNKHCSA-N 345.443 1.356 0 40 EDAB Fc1cnc(N2CCO[C@@]3(CCCN(c4nncs4)C3)C2)nc1 96226605 PJGFIAVLTGZVAQ-AWEZNQCLSA-N 336.396 1.343 0 40 EDAB CC(C)NC(=O)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1 96202234 FZNNLUAUJXLSJX-MRXNPFEDSA-N 338.477 1.785 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)cn1 583616747 MGPWJRBRZKJHAN-ZNMIVQPWSA-N 327.450 1.514 0 40 EDAB O=C(c1ccc[nH]1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1cccnc1 96070036 WJMVIANCGIQLLY-MSOLQXFVSA-N 340.427 1.568 0 40 EDAB O=S(=O)(CC1CCOCC1)NCc1cccc(-n2ccnc2)c1 96428057 HASVCRBBYLRJDW-UHFFFAOYSA-N 335.429 1.718 0 40 EDAB C[C@@H](C1CC1)N(C(=O)Cn1c(-c2ncccn2)noc1=O)C1CC1 96402734 JCVBMDHLGSLTMH-JTQLQIEISA-N 329.360 1.083 0 40 EDAB CN(C)CCN1C[C@@H]2CN(C(=O)c3ccco3)CCC[C@]2(C(=O)O)C1 96100487 JTPYKPLFZHCJGX-KDOFPFPSSA-N 349.431 1.080 0 40 EDAB O=C(c1cccnc1)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 96245330 GKSAOQDOYBSYIO-WBVHZDCISA-N 339.370 1.951 0 40 EDAB O=C(C1CC1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 96188147 HZAIZECHLQKLAQ-CQSZACIVSA-N 326.400 1.863 0 40 EDAB Cn1cc(-c2nnn3c2CO[C@H](CNCc2ccc(F)cc2)C3)cn1 96061017 HMZVDAUICOXTKO-OAHLLOKOSA-N 342.378 1.506 0 40 EDAB CCOC(=O)C1(NCc2nnnn2C2CC2)Cc2ccccc2C1 96424474 CBHFOWACQKFGIA-UHFFFAOYSA-N 327.388 1.198 0 40 EDAB O=C(NCc1cccnc1)N1CC[C@@]2(C[C@@H]2C(=O)N2CCCC2)C1 96075009 CWINLSPMFBUNBM-CRAIPNDOSA-N 328.416 1.626 0 40 EDAB CCS(=O)(=O)N1CCC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 96223023 JQYVLJQTYOYNTK-SWLSCSKDSA-N 343.424 1.606 0 40 EDAB NC(=O)c1ccc(CC(=O)OCC2CCC3(CC2)OCCO3)cc1 585079406 RORKAESTHLBONR-UHFFFAOYSA-N 333.384 1.805 0 40 EDAB COC(=O)c1ccc(F)cc1S(=O)(=O)N(C)c1cnccn1 330032498 OFMBSDCZLCQMLZ-UHFFFAOYSA-N 325.321 1.227 0 40 EDAB O=C1COC2(CCN(Cc3nccs3)CC2)CN1c1cncnc1 96159142 WABDUURKSMUPJF-UHFFFAOYSA-N 345.428 1.331 0 40 EDAB O=C(O)c1ccn(CC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)n1 1602477533 ZEPFMZLAWXGGHV-UKRRQHHQSA-N 349.774 1.569 0 40 EDAB CC(C)(C)NS(=O)(=O)c1cnc(NC(=O)[C@H]2CCCO2)s1 585125884 IBXMFKCQZDXSRN-MRVPVSSYSA-N 333.435 1.337 0 40 EDAB CS(=O)(=O)c1cc(NC(=O)CSC[C@H]2CCCCO2)ccn1 585124471 FCKWJSYZWYIWOD-GFCCVEGCSA-N 344.458 1.726 0 40 EDAB CC[C@](O)(CNS(=O)(=O)CC)c1ccc(Br)cc1 96472912 UPWVLBWXPPFJKQ-LBPRGKRZSA-N 336.251 1.986 0 40 EDAB O=S(=O)(c1cccc2cccnc12)N1CC[C@@H](n2nccn2)C1 253473492 VPAURLCDIWBRLN-CYBMUJFWSA-N 329.385 1.462 0 40 EDAB O=C(Nc1cccc(Cl)c1)N1CCC(N2C(=O)CNC2=O)CC1 253473469 VFQDGYYKWYFAAM-UHFFFAOYSA-N 336.779 1.888 0 40 EDAB Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O 257338393 YXEVVVPSCBRXDN-MGPQQGTHSA-N 339.461 1.186 0 40 EDAB CS(=O)(=O)N1[C@H](Cc2ccccc2)C[C@@H]2NC(=O)CCCC[C@H]21 257252069 JTKMZTLFMRJYCN-OWCLPIDISA-N 336.457 1.690 0 40 EDAB Nc1nccnc1C[C@H]1CCCN(Cc2cccc(OCCO)c2)C1 257214950 COBKZNMXZMCSPL-MRXNPFEDSA-N 342.443 1.885 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)n1 257300046 RSQSVVSNDMELOO-CYBMUJFWSA-N 331.420 1.963 0 40 EDAB Cc1ocnc1C(=O)N1CCC[C@H](Cc2nccnc2N(C)C)C1 257344543 ZXSPIXADXNZNBY-CYBMUJFWSA-N 329.404 1.934 0 40 EDAB COc1ccc(CN(C)[C@@H]2CN(C(=O)c3cccn3C)C[C@H]2O)cc1 257215819 CRUGTIKAQGBOAA-QZTJIDSGSA-N 343.427 1.351 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](Cc3nccnc3N)C2)n1 257330269 XNQGJLDSZJPCIH-AWEZNQCLSA-N 328.420 1.353 0 40 EDAB CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCc1ccnn1C 1615586582 CGUVMNVJCCYRJP-LSDHHAIUSA-N 338.452 1.577 0 40 EDAB CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC[C@H](O)c1cnn(C)c1 1616034160 AHTYIRUKRDRIDI-QEJZJMRPSA-N 340.468 1.981 0 40 EDAB Cn1c(C(F)(F)F)nn(CC(=O)Nc2cc(F)ccc2F)c1=O 90591343 NDOTVVLXLZHIEO-UHFFFAOYSA-N 336.220 1.518 0 40 EDAB C[C@H](C(=O)NS(=O)(=O)c1ccsc1)N(C)CC(F)(F)F 390833517 IQYJNJJXXYQEOC-SSDOTTSWSA-N 330.353 1.436 0 40 EDAB C/C=C/C(=O)O[C@@H]1C=C[C@H](O)[C@H](OC(C)=O)CCC(=O)O[C@@H]1C 585660618 GXBAKQFLYWSOJH-OVFJSLFXSA-N 326.345 1.049 0 40 EDAB biogenic,in-vitro CO[C@H]1CCN(C(=O)CN2CCCC2=O)C[C@H]1Cc1ccccc1 585276974 QUTMHARNBAIUDJ-SJORKVTESA-N 330.428 1.715 0 40 EDAB Cc1cccc(S(=O)(=O)N2CC(F)(F)C[C@]3(CCNC3=O)C2)c1 585093172 HCFLKLMVAHDLAX-CQSZACIVSA-N 344.383 1.531 0 40 EDAB CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1Cc1cccc(F)c1 585281079 SNBMDMPRNZVZER-GJZGRUSLSA-N 328.409 1.297 0 40 EDAB O=C(c1ccncc1)N1CCO[C@](CO)(Cc2ccccc2F)C1 585277325 UPXKFLRVPIAEGE-GOSISDBHSA-N 330.359 1.667 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H]2[C@H]([C@H]1C(=O)O)N2C(=O)OC(C)(C)C 953109632 LCRZOBGVRPRLHD-FICSTJOXSA-N 328.365 1.678 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Nc1cccc(CN2CCCCC2=O)c1 51164990 DUYBDYCCGPOBSP-GFCCVEGCSA-N 332.404 1.455 0 40 EDAB C[C@@H](NC(=O)c1cccc(OC2CCCC2)c1)C(=O)N1CCOCC1 78716128 UMSXIMZIAJXEAN-CQSZACIVSA-N 346.427 1.985 0 40 EDAB O=C(CCC(=O)c1ccccc1)NCCn1nc2c(cc1=O)CCC2 585413091 KKHRLIMESRNGGB-UHFFFAOYSA-N 339.395 1.511 0 40 EDAB O=C(c1cc(F)cc(Cl)c1O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 556830048 CAUSAFZEJDMZFX-NEPJUHHUSA-N 347.795 1.976 0 40 EDAB COc1ccc(/C=C(/NC(C)=O)C(=O)NCCCCCC(=O)O)cc1 3136289 PUJJFYRIUAKNBK-FOWTUZBSSA-N 348.399 1.933 0 40 EDAB biogenic O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1NC1CCC1 1549160249 BSJPAPNXWIPBOQ-GVDBMIGSSA-N 332.379 1.355 0 40 EDAB CN(C(=O)COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1ccccc1 5877150 YQVQJLWWULOXJQ-DYVFJYSZSA-N 348.424 1.647 0 40 EDAB COc1cccc(C(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)c1 12223613 XDKOLJFVTIBEQE-UHFFFAOYSA-N 342.399 1.765 0 40 EDAB Cc1cc(C)cc(C(=O)NC(=S)NCCCN2CCOCC2)c1 17070661 GLJCTHZDMPNMMG-UHFFFAOYSA-N 335.473 1.630 0 40 EDAB C[C@H]1CCN(S(=O)(=O)[C@H]2CCOC2)CCN1Cc1ccccc1 108089408 LALCHDJRLHITJG-RDJZCZTQSA-N 338.473 1.702 0 40 EDAB Cc1noc(CCCNC(=O)c2ccc(O[C@@H]3CCOC3)nc2)n1 225710661 XBPGDFFCJCQCOP-CYBMUJFWSA-N 332.360 1.303 0 40 EDAB CN1CCN(c2ncc(-c3ccncc3)c([C@H]3CCCNC3)n2)CC1 257332338 XWVXRRUWDHAXKF-INIZCTEOSA-N 338.459 1.757 0 40 EDAB CO[C@]1(C)C[C@@H](NC(=O)N2CCO[C@H](c3nncn3C)C2)C1(C)C 583623561 KSXFNOMCEIGNOC-HWWQOWPSSA-N 337.424 1.102 0 40 EDAB COc1ccnc(N2CCN(c3ncnc(C4CC4)c3F)CC2)n1 1888843057 NRQSGAOYOQADPY-UHFFFAOYSA-N 330.367 1.618 0 40 EDAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4cn[nH]c4)C[C@@H]3C2)nn1 1888843105 HTYPZQXRIAFGQI-KBPBESRZSA-N 340.431 1.706 0 40 EDAB Cn1ccc(CN2CCC[C@@H](C(=O)N3CCSCC3)C2)cc1=O 1888849930 NILUGAQGVSLECO-OAHLLOKOSA-N 335.473 1.173 0 40 EDAB O=C1[C@H]2CN(c3ccnc(C4CC4)n3)C[C@@H]2C(=O)N1Cc1ccccc1 1889124937 WWXFLVSHCPBLPD-HOTGVXAUSA-N 348.406 1.975 0 40 EDAB CN(C)Cc1ccccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 24808206 YEXVVDRBGHQBEE-GJZGRUSLSA-N 341.411 1.638 0 40 EDAB Cn1nc(-c2cnccn2)cc1CNS(=O)(=O)Cc1ccccc1 253471339 BWAMTTQRGNNAKV-UHFFFAOYSA-N 343.412 1.497 0 40 EDAB Cc1nc(C(=O)N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)cs1 1565554759 ZIBMJELXMKTHPT-UHFFFAOYSA-N 341.458 1.092 0 40 EDAB COC(=O)CSc1ncnc2c1nnn2Cc1ccc(F)cc1 4166485 KDYOUPCERRSPFJ-UHFFFAOYSA-N 333.348 1.674 0 40 EDAB CCNc1nc(Cl)nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1 4690221 WZTSFRHAARPTMG-MNOVXSKESA-N 346.822 1.742 0 40 EDAB Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)C(C)C 5328961 DIHPDAFMRVGJJK-UHFFFAOYSA-N 332.447 1.685 0 40 EDAB CC(C)NC(=O)[C@@H]1CCc2c(C(=O)N3CCCCCC3)ncn2C1 2055715762 HPHYCAAURZMTIZ-CQSZACIVSA-N 332.448 1.986 0 40 EDAB O=C(N[C@@H]1CCc2onc(CN3CCOCC3)c2C1)c1cscn1 2055732587 RCCRGEATHJYYEE-LLVKDONJSA-N 348.428 1.251 0 40 EDAB Cc1nn(CCNC(=O)N2CCNC2=O)c(C)c1-c1ccsc1 575615197 NAGBVIXCYLYCJN-UHFFFAOYSA-N 333.417 1.963 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1cn(-c2cccs2)nn1 575615138 BZBUWNDUSILBQR-UHFFFAOYSA-N 339.402 1.412 0 40 EDAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)NCCc1ccccc1)C2 585150194 FBBFQTKDAFKKNZ-INIZCTEOSA-N 339.443 1.942 0 40 EDAB CCOC(=O)c1ccc(NC(=O)C[C@H]2Cn3ncnc3N=C2O)cc1 40386614 YMFLPHARSADMSO-NSHDSACASA-N 343.343 1.701 0 40 EDAB CNS(=O)(=O)c1ccc(CNc2cc(Cl)nc(N)n2)s1 40497779 CNCBQWMHBCSNIK-UHFFFAOYSA-N 333.826 1.294 0 40 EDAB CC[C@H](C)[C@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100767437 JYMAHYMXWBVPRI-OWCBBSPXSA-N 345.443 1.345 0 40 EDAB COCCNC(=O)c1nc(-c2ccc(Cn3ccnc3)cc2)no1 31810076 SLRBMZMIFUWUEQ-UHFFFAOYSA-N 327.344 1.358 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CCc3ccccc32)CC1 40501139 XHOKLUMUVHIWGD-OAHLLOKOSA-N 337.445 1.397 0 40 EDAB CN(CCCOc1ccccc1)C(=O)[C@@H]1CCCN1S(C)(=O)=O 40514154 NMNAVBKBRRPDBE-HNNXBMFYSA-N 340.445 1.338 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cccnc3)CC2)n1 51375551 YADQIUSKPFMJBD-CABCVRRESA-N 339.399 1.333 0 40 EDAB COc1ccc(CNC(=O)Cc2csc(N3CCCC3=O)n2)cn1 32882600 FAFBBMMRYYFNNH-UHFFFAOYSA-N 346.412 1.532 0 40 EDAB Cc1nc2nc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)nn2c(O)c1Cl 102635684 QDRBPVDAWVXMFC-OCAPTIKFSA-N 333.735 1.247 0 40 EDAB C[C@@H](Nc1cccc(C(N)=O)c1)C(=O)Nc1ccc2c(c1)OCO2 33040136 DTEGXYCCEKVBMR-SNVBAGLBSA-N 327.340 1.953 0 40 EDAB C[C@H](NC(=O)c1ccco1)c1ccc(-n2cc(C(N)=O)nn2)cc1 53129465 FVRYYJWHWMRBNK-JTQLQIEISA-N 325.328 1.450 0 40 EDAB CS(=O)(=O)c1cccc(OCC(=O)N2CCO[C@@H]3CCC[C@H]32)c1 53386146 LFAHERHREMOBHU-HUUCEWRRSA-N 339.413 1.249 0 40 EDAB O=C(COc1ccccc1)NCC(=O)Nc1nnc(C2CC2)s1 22738713 OFUFDFMETSOVFT-UHFFFAOYSA-N 332.385 1.549 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)COc2ccc(C)cc2C)n1 568984 OGOKBESZRRSFDK-UHFFFAOYSA-N 348.432 1.592 0 40 EDAB O=C(NCCN1CCN(c2ncc(Cl)cc2F)CC1)C1CCC1 79299452 FJZCUYIIRNFLHM-UHFFFAOYSA-N 340.830 1.912 0 40 EDAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)N1CCOCC1 3147162 HUYDGYGVGBROGI-UHFFFAOYSA-N 330.384 1.702 0 40 EDAB Nn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nncc1=O 4338141 BEOWJENMXSUEPV-UHFFFAOYSA-N 345.306 1.102 0 40 EDAB CCN(CC)CC1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 71924098 KOMBEPWTQQGVKC-GJZGRUSLSA-N 347.525 1.394 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc3[nH]cnc3c1)C2=O 12540765 BLCGPXGPXFIVAJ-UHFFFAOYSA-N 341.371 1.708 0 40 EDAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2)no1 8416273 FNCIKDYFXQIHCJ-UHFFFAOYSA-N 331.328 1.884 0 40 EDAB COc1ncccc1CNC(=O)[C@@H](C(C)C)N1C[C@H](C)O[C@H](C)C1 106153803 KRFQYHLRLVLTNM-IJEWVQPXSA-N 335.448 1.840 0 40 EDAB Cc1ccc(-c2noc(CN3C(=O)N[C@]4(CCSC4)C3=O)n2)cc1 25254602 HAVATTJPJFOEIZ-INIZCTEOSA-N 344.396 1.973 0 40 EDAB O=C(NCc1ccccc1)[C@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]1O2 107264972 IIURDLMYTHLEBP-GBESFXJTSA-N 337.423 1.987 0 40 EDAB CN(C)c1ccc(C(=O)NCCN2CCc3sccc3C2)cn1 56166521 ZMQXFJNYEFVNDF-UHFFFAOYSA-N 330.457 1.997 0 40 EDAB COc1cc2c(cc1OC)CCN(C(=O)c1ccc(=O)[nH]c1)CC2 56461809 KYAGVZDHLJZDEQ-UHFFFAOYSA-N 328.368 1.633 0 40 EDAB O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1=COCCC1 108364193 NNWBJMFTMJLDPJ-AEFFLSMTSA-N 330.428 1.680 0 40 EDAB Cc1nc2ccc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)cc2nc1C 44721642 SNNJUXOQFFHEAD-LBPRGKRZSA-N 333.413 1.411 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N(C)Cc1cc(Br)ccc1F 58184674 YQTLGGMSPUVKEK-MRVPVSSYSA-N 346.200 1.864 0 40 EDAB Cc1cnc2c(S(=O)(=O)N[C@H](C)C(=O)N3CCCC3)cccc2c1 58201223 KWNBPTQWWBVFHU-CYBMUJFWSA-N 347.440 1.832 0 40 EDAB C[C@H](NS(=O)(=O)N1CCOCC1)c1ccc(-n2ccnc2)cc1 58250865 WOQAZIUAODSAEE-ZDUSSCGKSA-N 336.417 1.100 0 40 EDAB CN(Cc1ccccn1)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 58294186 WESRFXXZYKWXMF-UHFFFAOYSA-N 344.396 1.405 0 40 EDAB Cc1ccc([C@H](CNC(=O)N(CCO)C2CC2)N2CCOCC2)o1 44967274 KAIASSRHPRSRDS-HNNXBMFYSA-N 337.420 1.128 0 40 EDAB CCCn1nc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)ccc1=O 44969199 LOXSWDUBOZUWHA-LLVKDONJSA-N 340.383 1.639 0 40 EDAB Fc1cnc(N2CCC3(CC2)CN(Cc2ccccn2)CCO3)nc1 107192953 KETBFTUGWKNNAE-UHFFFAOYSA-N 343.406 1.882 0 40 EDAB Cc1ccc(-n2nnnc2N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 54060280 YEXVPZAHYAGZHH-OAHLLOKOSA-N 340.431 1.713 0 40 EDAB CC[C@@H](O)CN(CC(=O)NC1CCN(C(C)=O)CC1)c1ccccc1 58379803 PFFSHQBUIUWLDL-GOSISDBHSA-N 347.459 1.391 0 40 EDAB CCNC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N 3301134 FXBOSMZKMZZEKV-UHFFFAOYSA-N 341.440 1.964 0 40 EDAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@H]2CCOC2)c1 58418341 DSAKQMHXQMPVIE-NSHDSACASA-N 326.418 1.738 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NCCCn2cccn2)[C@@H]1c1ccccc1 57355371 OFIWLSMHRUHEFF-WMZOPIPTSA-N 340.427 1.999 0 40 EDAB NC(=O)c1cc(NC(=O)NCC(=O)NC2CCCCC2)ccc1F 58622388 ZAKCDKFUAZIFCQ-UHFFFAOYSA-N 336.367 1.495 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)[C@@H]2CCCO2)s1 48331438 SEELFSDSWNVEKG-KOLCDFICSA-N 347.462 1.023 0 40 EDAB Cn1cc(NC(=O)c2nc(N3CCCC3)ncc2Cl)ccc1=O 48364535 KKHVAAPPYSGONU-UHFFFAOYSA-N 333.779 1.681 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN2CCC(C)CC2)cc1C(N)=O 45745034 ZLFLZVWOMOAJAB-UHFFFAOYSA-N 339.461 1.104 0 40 EDAB CCOC(=O)c1cnc2c(cnn2C)c1O[C@H](CN)C(F)(F)F 2510536 TUXFAFXUSUWJCW-SECBINFHSA-N 332.282 1.413 0 40 EDAB Cc1nn(CCC(=O)NN2CCOCC2)c(C)c1Br 2778143 SNZKCVMBNNLHCM-UHFFFAOYSA-N 331.214 1.016 0 40 EDAB O=C(NCCNc1ncccn1)N1CCO[C@@H](c2ccc(F)cc2)C1 47057556 MOUOJXADZAQMKN-OAHLLOKOSA-N 345.378 1.811 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)NC3CCCCC3)nc2n1 3542202 KZHHSNUUWOKIDQ-UHFFFAOYSA-N 331.376 1.347 0 40 EDAB Cc1cc(C)c(C(N)=O)c(N2CCN(C(=O)c3ccco3)CC2)n1 12983337 YUERULLRGPPERZ-UHFFFAOYSA-N 328.372 1.353 0 40 EDAB O=C(NCCc1ccsc1)N[C@@H]1CCCc2c1cnn2CCO 65446773 VAMFBRYOBRHWAL-CQSZACIVSA-N 334.445 1.856 0 40 EDAB O=S1(=O)C[C@H]2NC(=S)N(CCc3cc4ccccc4[nH]3)[C@H]2C1 9547543 CZEFRXWUHIOMAN-KGLIPLIRSA-N 335.454 1.066 0 40 EDAB COCCS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 65592402 WKEAZCLMFCFIHW-BETUJISGSA-N 341.429 1.356 0 40 EDAB CC(C)(CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2c(c1)OCO2 65626933 GJJCBFSNHOEYOB-GFCCVEGCSA-N 344.411 1.820 0 40 EDAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(C(N)=O)cc1 5694130 PGRZAMZBQKQZFE-SNVBAGLBSA-N 328.324 1.675 0 40 EDAB O=C(NC1CCCC1)c1c[nH]nc1S(=O)(=O)Nc1ccccc1 67245507 BEYHTMVJTMBWGK-UHFFFAOYSA-N 334.401 1.883 0 40 EDAB CN(CCCNC(=O)COc1ccc(C(N)=O)cc1)c1ccccc1 7099174 FAZHQNITMCABQY-UHFFFAOYSA-N 341.411 1.807 0 40 EDAB COC(=O)COc1nc2n(c(=O)c1Cc1ccccc1)CCS2 9305910 HEBDBMUNUORJKU-UHFFFAOYSA-N 332.381 1.492 0 40 EDAB CCc1ccccc1NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 67558805 WLHBRUVFYKTVDM-CYBMUJFWSA-N 325.434 1.795 0 40 EDAB CN(C)C(=O)CN(C)c1ccc(F)cc1S(=O)(=O)C(F)(F)F 69421090 XKCMHYHODWWTPX-UHFFFAOYSA-N 342.314 1.644 0 40 EDAB CC(=O)N[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C(C)C 7983711 PDPYWRJCWVGLFZ-CQSZACIVSA-N 341.433 1.036 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCN(C)c4ccccc4C3)nc2n1 68861455 YMRRYNFGROMGDU-UHFFFAOYSA-N 336.399 1.833 0 40 EDAB CC(C)[C@@H](C(=O)N1CC[C@@H](C(N)=O)C1)N1CCc2ccccc2C1 71839336 CPAOGIQNWDHBJV-SJORKVTESA-N 329.444 1.403 0 40 EDAB NC(=O)c1ccc(COC(=O)Cc2ccc3c(c2)OCCO3)cc1 16814530 GEYDKLISQFIGME-UHFFFAOYSA-N 327.336 1.843 0 40 EDAB CCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H](C)C(C)C 70039201 QSWXIEWTNIDSNS-CQSZACIVSA-N 335.448 1.533 0 40 EDAB CCN1CCN(c2ccc(NC(=O)N[C@@H](C)C(=O)NC)cc2C)CC1 70040311 XKAYWGCQYNAFKF-AWEZNQCLSA-N 347.463 1.393 0 40 EDAB C[C@H]1CN(Cc2nnsc2Cl)CCN1Cc1nccn1C 69455736 MDXQJOIJKAJLOD-JTQLQIEISA-N 326.857 1.631 0 40 EDAB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1cn2ccccc2n1 69488455 NKNLZYWKKWQZAV-ZDUSSCGKSA-N 332.429 1.718 0 40 EDAB Cn1nc(Br)c2c(N3CCc4cncnc4C3)ncnc21 69557566 WOBPXOXSLPFVGD-UHFFFAOYSA-N 346.192 1.479 0 40 EDAB CCN1CCCC[C@@H]1C(=O)N1CCCN(Cc2cnn(CC)c2)CC1 69597443 FTIVGPVDHWPIJB-GOSISDBHSA-N 347.507 1.812 0 40 EDAB CN(C)c1nc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)ns1 83855400 AFVTZGALCLIJLQ-NSHDSACASA-N 331.401 1.267 0 40 EDAB Cc1nc(N2CCN(C[C@@H](C)O)CC2)c2c3c(sc2n1)CCC3 69844531 FCPDIBSWVNOZTE-LLVKDONJSA-N 332.473 1.991 0 40 EDAB CCCc1nc(COc2ccc(C(=O)NCC(N)=O)cc2)cs1 69971048 SQRHMNCQBBZLOR-UHFFFAOYSA-N 333.413 1.890 0 40 EDAB CC[C@H](C)CS(=O)(=O)NCC(C)(C)N1CCC(N(C)C)CC1 71904721 QQGKHYOJUQTRIE-AWEZNQCLSA-N 333.542 1.757 0 40 EDAB O=C1CN(c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)CCN1 95365032 VMFUGJKKBGQKET-UHFFFAOYSA-N 326.356 1.741 0 40 EDAB CCN(CC(=O)NCC1CCC1)C1CN(C(=O)OC(C)(C)C)C1 84765501 IPAWSEAQMYODDW-UHFFFAOYSA-N 325.453 1.844 0 40 EDAB CN(C)C(=O)N1CCC(NC[C@]2(O)CCCc3ccccc32)CC1 97033016 UUFGMYPLQAKBTQ-LJQANCHMSA-N 331.460 1.946 0 40 EDAB CC(C)COC(=O)N1CCN(Cc2nnc(C3CCC3)n2C)CC1 97083635 ASUALBOHBDOUHK-UHFFFAOYSA-N 335.452 1.993 0 40 EDAB Cc1ccc(N2CCC[C@@H](N(C)Cc3nnnn3C3CC3)C2)nn1 72276686 GODDCGKEPBHEOU-CQSZACIVSA-N 328.424 1.207 0 40 EDAB CC(C)[C@H]1CN(C)CCN1Cc1cnc(N2CCN(C)CC2)nc1 97139326 IYDOGEPYTVSMHF-QGZVFWFLSA-N 332.496 1.000 0 40 EDAB CN(CCN1CCOCC1)C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 72310116 TWTUGPGQWAVNSF-SFHVURJKSA-N 349.450 1.581 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@@H]1C2 306135105 OHZIIQMCPVAGPQ-QWHCGFSZSA-N 329.404 1.314 0 40 EDAB O=C(c1cnccn1)N1CCN(c2cncc(Br)c2)CC1 95403150 QVXFRZLWHFEJRA-UHFFFAOYSA-N 348.204 1.597 0 40 EDAB O=S(=O)(NCC(c1ccccc1)c1ccccc1)N1CCOCC1 84522529 HOOPVUQKSJDDGE-UHFFFAOYSA-N 346.452 1.985 0 40 EDAB CN1CC[C@@H](CN(C)S(=O)(=O)c2ccc(Br)cn2)C1 95961850 GWXJEARWSCORQC-SNVBAGLBSA-N 348.266 1.416 0 40 EDAB O=S1(=O)CC[C@@H](N2CCN(c3ncnc4ccsc34)CC2)C1 95946702 SHPSUMYPKVYKEO-LLVKDONJSA-N 338.458 1.000 0 40 EDAB C[C@H](CO)N(C)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 89901471 KNFOVZAFGGMRJI-LLVKDONJSA-N 349.456 1.566 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c(=O)[nH]1 76018777 MXZSKDFXQSOUKL-CQSZACIVSA-N 345.786 1.872 0 40 EDAB Nc1nc(N)nc(COC(=O)c2occc2COc2ccccc2)n1 21724492 UBASVDIWXQVTIC-UHFFFAOYSA-N 341.327 1.565 0 40 EDAB COCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241370 JHDOVHXBDYEYJV-CABCVRRESA-N 340.807 1.391 0 40 EDAB CCCNC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)cc1 39986082 TZXPEKVIOBYBNC-UHFFFAOYSA-N 328.434 1.622 0 40 EDAB O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2csnn2)CC1 127914681 DFAXMXYXBOTOLT-UHFFFAOYSA-N 327.413 1.977 0 40 EDAB Cc1cnc(C[C@@H]2COCCN(C(=O)CN3CCCCC3)C2)cn1 72388272 QIVXNEPAXAGXRF-INIZCTEOSA-N 332.448 1.288 0 40 EDAB Cn1cc([C@H](O)CN2CCN(c3ncccn3)CC2)c2ccccc21 36741317 AFIZAACUIUFHCQ-GOSISDBHSA-N 337.427 1.824 0 40 EDAB Cc1nc(CCC(=O)O)cc([C@@H]2CCCN(c3ncccn3)C2)n1 72363419 VWKQAHHEIFQDNA-CYBMUJFWSA-N 327.388 1.976 0 40 EDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc(Cl)c1 71980058 QCGCOZQDSJUMLK-CYBMUJFWSA-N 338.791 1.688 0 40 EDAB COc1ccc([C@H](O)CN2CCN(c3ccccn3)CC2)cc1OC 49420858 MKJRRPZSFWUCFZ-MRXNPFEDSA-N 343.427 1.954 0 40 EDAB CCN1CCN(C(=O)[C@]2(C)CC(c3ccccc3OC)=NO2)CC1 222284853 KJYCCMPWUADNGD-SFHVURJKSA-N 331.416 1.742 0 40 EDAB COc1c(C)cnc(CN(C)C(=O)NC[C@H]2CNCCCO2)c1C 569794771 GVQWOVYLTLFDKK-CQSZACIVSA-N 336.436 1.227 0 40 EDAB CSCc1cc(F)ccc1CNS(=O)(=O)c1cnn(C)c1 88782942 HOQCCEIBKBXSDZ-UHFFFAOYSA-N 329.422 1.901 0 40 EDAB COc1ccc(NC(=O)[C@@]2(C)CCCN(C)S2(=O)=O)c(C)c1 225953017 BUAAVTPGUJWISR-OAHLLOKOSA-N 326.418 1.756 0 40 EDAB COc1ccccc1C1=NO[C@@](C)(C(=O)NCC(=O)NC(C)C)C1 96193073 QWDJPOBVLCWTPS-QGZVFWFLSA-N 333.388 1.219 0 40 EDAB COC[C@@H](C)S(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 96410372 ZOMKMZJPSQUECJ-WBVHZDCISA-N 340.489 1.853 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1OC 239328972 JYBHUVXMWBVZMS-LBPRGKRZSA-N 326.418 1.173 0 40 EDAB CN1CC[C@H](NC(=O)Nc2cnn(-c3ccccc3Cl)c2)C1=O 96422057 DCJFTIIJYUGJFI-LBPRGKRZSA-N 333.779 1.878 0 40 EDAB O[Sn](Cl)(c1ccccc1)c1ccccc1 232001358 MIJJYWDAOHEJSC-UHFFFAOYSA-L 325.383 1.474 0 40 EDAB Cn1cncc1CN1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1 96226574 DDEMZYLCPDQVAP-QGZVFWFLSA-N 346.410 1.221 0 40 EDAB Cn1cc([C@H]2CC(=O)NC23CCN(C(=O)c2ccco2)CC3)cn1 96061497 OUBRJNXAALWNFE-CYBMUJFWSA-N 328.372 1.292 0 40 EDAB COc1ccccc1[C@@H](O)Cn1cc(C(=O)n2nc(C)cc2C)nn1 98212435 QJLFFYZXRFUMQK-HNNXBMFYSA-N 341.371 1.522 0 40 EDAB O=C([C@@H]1CCOC1)N1CC[C@@]2(CCCN(Cc3ccccn3)C2)C1 96158071 UIVVIMRXKUMEGD-VQIMIIECSA-N 329.444 1.933 0 40 EDAB CC(C)CC(=O)N1CC[C@@H]2CN(CC(C)C)S(=O)(=O)[C@@H]2CC1 96145601 FZMSGKGVQMNZLD-HUUCEWRRSA-N 330.494 1.941 0 40 EDAB CN(C)Cc1cc(=O)n2c(n1)CN(C(=O)NC1CCCC1)CCC2 96197550 XNSKBXUAIGSNBI-UHFFFAOYSA-N 333.436 1.163 0 40 EDAB CN1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)c2cc(Cl)ccc21 96425534 WSMJJRACCPTQQR-NSHDSACASA-N 342.848 1.948 0 40 EDAB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 95252472 VZGODBFIWOLJDC-WZTLGTBRSA-N 348.374 1.413 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2COc3ccccc3O2)C1 95083032 OKNUGRTXJGTXBD-SWLSCSKDSA-N 348.399 1.952 0 40 EDAB Cn1cccc1C(=O)N1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 96050841 XTSYHMBYCZNJBZ-KRWDZBQOSA-N 325.372 1.084 0 40 EDAB COc1ccc(CC(=O)N2CCCc3c(c(=O)n(C)n3C)C2)cc1 96201047 SMXAHTMHQWKEDM-UHFFFAOYSA-N 329.400 1.250 0 40 EDAB CCOCC(=O)N1C[C@@H](C)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96201736 ZZERLKUFDMYRFX-RDTXWAMCSA-N 331.416 1.315 0 40 EDAB COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1cccs1 96061101 NVLVJZLZFBSGCZ-ZDUSSCGKSA-N 344.444 1.771 0 40 EDAB O=C1NC2(CCN(C(=O)[C@H]3CCOC3)CC2)C[C@H]1c1ccncc1 96199575 ATMZBXMERACDSR-GJZGRUSLSA-N 329.400 1.083 0 40 EDAB O=S(=O)(C1CC1)N1Cc2ccnn2[C@@H](CCN2CCCCC2)C1 247360434 ZFDIJLXKKDJKCG-HNNXBMFYSA-N 338.477 1.608 0 40 EDAB CN(C)c1cc(N2CC3(C2)OCC[C@H]3COc2ccccn2)ncn1 248125003 OINGLSCERRZKGV-AWEZNQCLSA-N 341.415 1.612 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NCc1cccs1 26398594 LMIOMEWRANOECK-UHFFFAOYSA-N 343.430 1.290 0 40 EDAB O=C(Cc1ccc(F)cc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257229412 FYABLPKVTNZPMA-HUUCEWRRSA-N 342.361 1.671 0 40 EDAB Cn1nc(C(=O)N2C[C@H]3CC[C@@H](Oc4cccnc4)[C@H]3C2)ccc1=O 257207535 BIFAMNOOTBGCBR-IVMMDQJWSA-N 340.383 1.105 0 40 EDAB COCCOc1ccc(NC(=O)[C@@]2(C)CCNC2=O)cc1Cl 585131663 CFKKGXZNJJTJHN-HNNXBMFYSA-N 326.780 1.830 0 40 EDAB CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc(OC(C)C)nc1 585115062 KUBJUOXTVSLDGZ-JQWIXIFHSA-N 334.463 1.260 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)NCCN=S(C)(C)=O)cc1 585115154 ONBFTKOKNWMVQW-UHFFFAOYSA-N 332.491 1.990 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)c3ccnc(C)n3)CCO2)ncn1 257252039 JTIDDGFJMUVFGZ-HNNXBMFYSA-N 327.388 1.357 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(C(=O)CCC(=O)O)CCO2)ccn1 257287623 PQTRRUMOELSBPK-AWEZNQCLSA-N 335.404 1.172 0 40 EDAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCn2nccc2C)[C@H]1O 257229054 FWNGGJIKMPXRSB-BFYDXBDKSA-N 331.420 1.357 0 40 EDAB Cc1cc(CCC(=O)NCC(=O)O)nc([C@@H]2CCCN(C(C)C)C2)n1 257272756 NDSVXULYHMUNIJ-CQSZACIVSA-N 348.447 1.506 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)COc2ccccc2F)CCO1 257227679 FQKMQXPYTPGNJQ-CYBMUJFWSA-N 332.335 1.177 0 40 EDAB O=C(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1cnc(C2CC2)nc1 257343798 ZULUDMUTZCUUHY-BRWVUGGUSA-N 344.459 1.852 0 40 EDAB Cc1ccnc([C@H]2CN(Cc3ccc(OCC(=O)O)cc3)CCO2)n1 257279812 OIGFEJWIQVGDTQ-MRXNPFEDSA-N 343.383 1.822 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)N2CCCNCC2)[C@@H]1c1ccccc1F 257264223 LTLRJQUUYDMVTK-QAPCUYQASA-N 347.434 1.947 0 40 EDAB COC[C@@H](C)CS(=O)(=O)NCc1cccc(-c2ccccn2)n1 1615585984 OFDQEXPGZOUEAK-CYBMUJFWSA-N 335.429 1.846 0 40 EDAB CO[C@@]1(CNC(=O)C(=O)Nc2ccccc2SC)CCSC1 96097738 KTJKIDUANXZVSO-OAHLLOKOSA-N 340.470 1.985 0 40 EDAB O=C(O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cn1 642295963 IVJJKWWCLFWRFS-LLVKDONJSA-N 346.368 1.480 0 40 EDAB O=C(c1ccco1)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390831995 WNVRAKHFKCAMAX-UHFFFAOYSA-N 340.339 1.567 0 40 EDAB Cc1nc(C)c(C(=O)N[C@H]2CCN(c3nccn4cnnc34)C2)s1 575414742 ZHZTWJJIOKBSDP-NSHDSACASA-N 343.416 1.206 0 40 EDAB c1cncc(CN2Cc3ccnn3CC[C@H]2CN2CCOCC2)c1 585097822 RBRLNXSRQHCGOU-KRWDZBQOSA-N 327.432 1.385 0 40 EDAB CCN1CC[C@]2(CN(C(=O)Cc3nc(C)no3)CC(F)(F)C2)C1=O 585093245 LJRMCWXHKIQMMH-AWEZNQCLSA-N 342.346 1.027 0 40 EDAB O[C@H](COCc1ccccc1F)Cn1nnnc1-c1ccccn1 66738523 RODOUWGPGKAYGY-ZDUSSCGKSA-N 329.335 1.452 0 40 EDAB Cc1cc(NC(=O)CCN[C@@H]2CCCN(c3cccnn3)C2)no1 69877546 YVVNESXWTUXGEB-CYBMUJFWSA-N 330.392 1.360 0 40 EDAB Cn1nnnc1SC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 69895489 XXBXJYFMWQRZJB-ZDUSSCGKSA-N 349.416 1.340 0 40 EDAB CCN(C1CCN(C(=O)[C@H](C)OCCC(C)C)CC1)S(C)(=O)=O 66855293 DBGQHCIVUZRANL-AWEZNQCLSA-N 348.509 1.710 0 40 EDAB COc1ncccc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 70036770 GSJISQCWFKFYCJ-KRWDZBQOSA-N 340.339 1.397 0 40 EDAB Cc1cc(=O)n2[nH]c(NC(=O)C(F)(F)c3ccccc3F)nc2n1 1534787337 WSDUMXFIOWIDEE-UHFFFAOYSA-N 337.261 1.596 0 40 EDAB COc1ccc([C@@H](CN2CCN(C)CC2)NC(=O)c2cc[nH]n2)cc1 75581935 SWHYQRVGANAZBX-QGZVFWFLSA-N 343.431 1.137 0 40 EDAB O=S(=O)(NC1(C2CCC2)CCC1)c1ccc(-n2cnnn2)cc1 580171531 VZIQIZYPZJXGLD-UHFFFAOYSA-N 333.417 1.663 0 40 EDAB Cn1cc(CC(=O)N2CCN(C[C@@H](O)C3CC3)CC2)c2ccccc21 85436570 XQSKNNUQWSFEMD-LJQANCHMSA-N 341.455 1.636 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2F)NC(=S)N1 12974245 LNMURYYCEXYLDK-AWEZNQCLSA-N 335.404 1.477 0 40 EDAB CCc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)n(C)n1 19522166 UORZMIJZIOBKNN-UHFFFAOYSA-N 342.443 1.745 0 40 EDAB Cc1ccc(O[C@@H]2CCCN(C(=O)c3cc4n(n3)CCCO4)C2)nn1 225464997 QABOEUZXLFSBKK-CYBMUJFWSA-N 343.387 1.448 0 40 EDAB CO[C@@H]1C=C[C@@]23c4cc5c(cc4CO[C@]2(O)CN(C)[C@@H]3C1)OCO5 4027521 YLWAQARRNQVEHD-GQAVTEOGSA-N 331.368 1.161 0 40 EDAB biogenic COc1cc(OC[C@@H]2COC(=O)O2)ccc1OC[C@@H]1COC(=O)O1 627276204 CQBQKTIQVKPFAR-GHMZBOCLSA-N 340.284 1.524 0 40 EDAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)[C@@H](NC(N)=O)C(C)C)c1 3260642 JKTLTLOOFKIUCC-HNNXBMFYSA-N 334.420 1.393 0 40 EDAB Cc1cc(N2CCN(c3nccc(N(C)C)n3)CC2)nc(C2CC2)n1 1888856721 GERLOADSDNJTOR-UHFFFAOYSA-N 339.447 1.845 0 40 EDAB CCN1CCC[C@H]1CNC(=O)c1ccc(OC2CCOCC2)nc1 253406654 UVDXIWUGSFNABJ-HNNXBMFYSA-N 333.432 1.854 0 40 EDAB CS(=O)(=O)N1CCC2(CN(C(=O)/C=C/c3cccs3)C2)C1 1565547378 QLRNFFHSBLAPGP-SNAWJCMRSA-N 326.443 1.255 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)C3(F)CC3)CCO2)C1=O 1565548790 JRVFDIOEZLCAFO-KBXCAEBGSA-N 332.375 1.342 0 40 EDAB O=C(/C=C/c1cccs1)N1C[C@H]2ON=C(C(=O)N3CCCC3)[C@H]2C1 1565549254 SPOOVNZHRSRCAR-BUHQSOCUSA-N 345.424 1.597 0 40 EDAB CO[C@@H](CCSC)CNC(=O)C(=O)Nc1ccc(F)cc1F 1775968740 UFEGSKHXQBSEGM-JTQLQIEISA-N 332.372 1.788 0 40 EDAB O=S(=O)(NCC[C@H](O)C1CCOCC1)c1c(F)cccc1F 217923896 CABOLPVCLRNGFM-ZDUSSCGKSA-N 335.372 1.421 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)COc3ccc(C)cc3)C2)nn1 225434874 JJRHUGITWCJOLX-OAHLLOKOSA-N 343.383 1.852 0 40 EDAB COC(=O)N1CCN(CCNC(=O)c2c(F)cccc2Cl)CC1 44227058 PBPPZMLPCAHULT-UHFFFAOYSA-N 343.786 1.593 0 40 EDAB O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1cc(-c2ccco2)n[nH]1 225785186 QJNLZJBNERBBTN-JTQLQIEISA-N 325.328 1.040 0 40 EDAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)C1=NN(c2ccccc2)C(=O)CN1 33018346 DCERQLPUJYUYHN-HIFRSBDPSA-N 328.416 1.973 0 40 EDAB Cc1c(C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cnn1C 103505615 FGRPOPUDVUSKGM-OCCSQVGLSA-N 328.303 1.160 0 40 EDAB O=C(c1ccc[nH]c1=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 30624374 DYSCFGGKTPIPDS-ZDUSSCGKSA-N 341.415 1.713 0 40 EDAB CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 93720 KNQAELGPSCSMKK-UHFFFAOYSA-N 348.790 1.534 0 40 EDAB biogenic CC[C@@H]1CN(C(=O)CCn2c(C)nc3ccccc3c2=O)CCO1 30849119 GGPGPZPQDNGNLF-CQSZACIVSA-N 329.400 1.732 0 40 EDAB NS(=O)(=O)c1cc(C(=O)NC2CCCC2)ccc1Br 31483127 JYEXLFWJOJXGNG-UHFFFAOYSA-N 347.234 1.769 0 40 EDAB CCCn1nc(C(=O)NC[C@H](C)Cn2nc(C)cc2C)ccc1=O 40541147 DWYOOOUFKGDOHL-LBPRGKRZSA-N 331.420 1.533 0 40 EDAB Cc1cnc2c(S(=O)(=O)N[C@H]3CCCCNC3=O)cccc2c1 40527156 DLIZRCQIDGVHNA-ZDUSSCGKSA-N 333.413 1.490 0 40 EDAB C[C@@H](CNC(=O)Cc1cn2ccsc2n1)N1C[C@@H](C)O[C@H](C)C1 40512350 HWEZOUIHCHGASV-YNEHKIRRSA-N 336.461 1.552 0 40 EDAB C[C@@H](C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1)N1C(=O)CCC1=O 51442842 XEZJYWWBKSFVOS-ZBEGNZNMSA-N 344.367 1.087 0 40 EDAB CC(=O)N1CCC(NC(=O)Cc2ccc(-n3cccn3)cc2)CC1 32930951 SBSDDIUSVZADPY-UHFFFAOYSA-N 326.400 1.542 0 40 EDAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1ccccn1 41469003 PJYRWVVKELCSGL-UHFFFAOYSA-N 331.397 1.204 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102912604 VQYPJPWZNUUCNH-DZKIICNBSA-N 334.441 1.602 0 40 EDAB Cc1nc(COc2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2)no1 41999408 YTZWPETVVFZHHU-ZDUSSCGKSA-N 344.371 1.295 0 40 EDAB COc1ccccc1NC(=O)C[C@@H](NCc1cccnc1)C(=O)O 195742 DUCULGYFXPFBSG-CQSZACIVSA-N 329.356 1.662 0 40 EDAB CNC(=O)CCNC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1 47810768 SYYDTSVJHMDOKT-BETUJISGSA-N 334.420 1.558 0 40 EDAB CN(CC(=O)N1CCCC1)c1ncnc2c1cnn2-c1ccccc1 54448797 OONYEGPCEZZKIV-UHFFFAOYSA-N 336.399 1.874 0 40 EDAB CCC[C@@H](C)N1C[C@@H](C(=O)NCc2cn3ccccc3n2)CC1=O 54831094 FVQGKQXLRXITGT-KGLIPLIRSA-N 328.416 1.988 0 40 EDAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(C(=O)O)cc2)s1 105740119 DWSNGIJFVKCCNL-WNEGCBGQSA-N 331.393 1.359 0 40 EDAB COCCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10336039 WRPBPHNZYFDXEY-LLVKDONJSA-N 348.852 1.566 0 40 EDAB CNC(=O)c1ccc(NC(=O)CNC(=O)c2ccccc2C)cc1 48087965 MOHOZMVNSMALPX-UHFFFAOYSA-N 325.368 1.723 0 40 EDAB COCCN1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 106576501 LUASMZZQQXRJFW-HOTGVXAUSA-N 345.443 1.124 0 40 EDAB CN1N=C(C(=O)N2CCN(CCc3cccs3)CC2)CCC1=O 55643763 ZGRAVTCRUOKBEW-UHFFFAOYSA-N 334.445 1.043 0 40 EDAB Cc1cc2c(cc1S(=O)(=O)NCc1ccccc1)OCC(=O)N2 8588760 NTWZUQMHLDMOFZ-UHFFFAOYSA-N 332.381 1.804 0 40 EDAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCC(=O)OCc1ccccc1)CS2 25368265 PQVDWVXSXIXUNW-DYVFJYSZSA-N 348.424 1.300 0 40 EDAB CN(CC(N)=O)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 56397381 DHJKXSDQKPBJQX-UHFFFAOYSA-N 327.171 1.736 0 40 EDAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCNS(=O)(=O)c1cccs1 107531611 YCIKYUQLOFCQDS-RWMBFGLXSA-N 342.486 1.969 0 40 EDAB Cn1cc(CN2CC[C@@H]3OCCN(c4cccnc4)[C@@H]3CC2)cn1 107255236 OVWWKDRAUJBMEU-MSOLQXFVSA-N 327.432 1.685 0 40 EDAB Cc1ccc2c(c1)c1nc(C3CC3)nn1c(=O)n2CCS(C)(=O)=O 95373417 MMZAFSZCHMJRAR-UHFFFAOYSA-N 346.412 1.275 0 40 EDAB CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@@H]2COC(C)(C)O2)CC1 84673854 DQYUEWMSXMWGFZ-CYBMUJFWSA-N 342.436 1.901 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)N(Cc2cccnc2)C2CC2)C1 44400837 GBNLBVBNALUNNP-AWEZNQCLSA-N 337.445 1.244 0 40 EDAB CC(C)n1ncc2cc(C(=O)NCCNC(=O)c3ccco3)cnc21 12792274 VDCLYBLYJYFCJG-UHFFFAOYSA-N 341.371 1.765 0 40 EDAB COc1ccc(OC)c(CN(CC(=O)N2CCNC2=O)C2CC2)c1 27604042 NNPLMSPBEPEYTO-UHFFFAOYSA-N 333.388 1.220 0 40 EDAB Cc1csc(NC(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 58227997 KMYLDBOVJDKPOF-LBPRGKRZSA-N 343.474 1.289 0 40 EDAB Cc1nccn1-c1ccc(NC(=O)CCNC(=O)c2ccoc2)cn1 44972329 IOUFNMOPRCBROC-UHFFFAOYSA-N 339.355 1.927 0 40 EDAB Cc1ccccc1-n1c(SCCC(N)=O)nnc1N1CCOCC1 10377072 GNEXJZCNGIMBFU-UHFFFAOYSA-N 347.444 1.380 0 40 EDAB CC[C@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@@H]1N1CCOCC1 84735896 TZCUYVLIQNVIKP-WMZOPIPTSA-N 344.455 1.733 0 40 EDAB C[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1cnn(Cc2ccccc2)c1 95440200 VHBYHFCTWPBPKV-YOEHRIQHSA-N 328.416 1.439 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNCc1ccnc(-n3ccnc3C)c1)CN2 58325237 WBKMVCTZUPIERR-INIZCTEOSA-N 337.431 1.912 0 40 EDAB CCOCCO[C@@H](C)C(=O)N1CCC(C(=O)N(CC)CC)CC1 58379958 XOVFVQKCZNGTSP-AWEZNQCLSA-N 328.453 1.535 0 40 EDAB CCc1nnc(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)s1 48345195 CAFMXTKPBKOJIK-LLVKDONJSA-N 349.338 1.613 0 40 EDAB Cc1cc(CN2CCN(CCn3c(=O)oc4ccccc43)CC2)no1 45735804 IECXZBSVSNTTEG-UHFFFAOYSA-N 342.399 1.709 0 40 EDAB Cc1nnc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)s1 29281088 QYOBDKXQLUWNIG-NSHDSACASA-N 348.363 1.044 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 85593403 APYIKLRDEKBZQK-OKILXGFUSA-N 347.342 1.727 0 40 EDAB C[C@@H](CNC(=O)c1cncn1-c1ccc(F)cc1)N1CCOCC1 29959089 PEIDKQBJWYZMTH-ZDUSSCGKSA-N 332.379 1.462 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1ccc3c(c1)NC(=O)CS3)CC2 62640055 QUAROWZRPGXLCH-NSHDSACASA-N 343.412 1.376 0 40 EDAB C[C@H]1COCCN1[C@H](C)CNC(=O)C[C@H](O)c1ccc(Cl)cc1 110703706 RNYDJRXDSJIJGK-WWGRRREGSA-N 340.851 1.989 0 40 EDAB COc1ccccc1N1CCN(C(=O)N[C@H](C)c2nncn2C)CC1 46961906 RMIYGXCSMFOMKT-CYBMUJFWSA-N 344.419 1.417 0 40 EDAB Cc1csc(CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n1 12935930 BUHITYVBPXLBRO-UHFFFAOYSA-N 344.396 1.161 0 40 EDAB COc1cccc(CNC(=O)CN2CC(=O)Nc3ccccc32)c1 72314835 VMPOZADSWZHIFG-UHFFFAOYSA-N 325.368 1.770 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)O[C@@H]1CCN2Cc3ccccc3N=C12 4028859 ZCDCWVWJHPGSKF-GXTWGEPZSA-N 349.412 1.218 0 40 EDAB biogenic Cn1cnc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)n1 93296136 LKAROMLQIPIKJB-HNNXBMFYSA-N 328.420 1.279 0 40 EDAB Cn1c(=O)c(CCC(=O)N=c2[nH]c3ccccc3[nH]2)nc2ccccc21 72406108 GCLGQQYQJXCHEN-UHFFFAOYSA-N 347.378 1.803 0 40 EDAB O=S(=O)(CCCc1ccccc1Br)c1cn[nH]n1 96009380 ATWPBZMKSPBJCZ-UHFFFAOYSA-N 330.207 1.974 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc2nsnc12 13690666 ROTLZECAIPXYSZ-SNVBAGLBSA-N 333.417 1.230 0 40 EDAB CC(C)Oc1ccc2nnc(CCC(=O)Nc3nccs3)n2n1 72403173 QZNUXJHGBSARGG-UHFFFAOYSA-N 332.389 1.939 0 40 EDAB NC(=O)[C@H]1COCCN1c1cnc2cc(Cl)c(Cl)cc2n1 97371943 GDEFDPIDXKCZJG-LLVKDONJSA-N 327.171 1.627 0 40 EDAB CC(C)[C@H](NC(=O)OCC1=Cc2ccccc2S1(=O)=O)C(=O)O 5240340 MNIQMWXZEBFKHP-ZDUSSCGKSA-N 339.369 1.650 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 65467197 AWGACFZKMFKESA-UONOGXRCSA-N 330.432 1.414 0 40 EDAB CCCCCNC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O 65490760 PBSGVWWFRJDCNR-UHFFFAOYSA-N 341.433 1.937 0 40 EDAB CC(C)(C)c1csc([C@H]2CN(CCS(C)(=O)=O)CCO2)n1 65513231 QDWLOHFMTQXHRQ-LLVKDONJSA-N 332.491 1.859 0 40 EDAB C[C@@H]1CN(C(=O)NCCCS(=O)(=O)c2ccccc2)C[C@@H](C)O1 65592258 YJEUADOMKAKEJS-ZIAGYGMSSA-N 340.445 1.669 0 40 EDAB CN(Cc1ccccc1N1CCOCC1)c1ncnc2c1cnn2C 14272652 MTPNVMDYDKJPGM-UHFFFAOYSA-N 338.415 1.836 0 40 EDAB COc1cc(C[C@@H](C(=O)Nc2ccccc2)c2nnn[nH]2)ccc1O 6520539 ZCYMIMLHWPHINR-CYBMUJFWSA-N 339.355 1.879 0 40 EDAB C[C@]1(c2ccccc2)Nc2ccccc2C(=O)N1NS(C)(=O)=O 4748334 IIQDCOAEZSFSBC-INIZCTEOSA-N 331.397 1.891 0 40 EDAB Cc1ccsc1S(=O)(=O)N1CC[C@]2(CCCN(C)C2=O)C1 67675419 RLKPGOKAKYLPLV-CQSZACIVSA-N 328.459 1.690 0 40 EDAB O=S(=O)(c1cncc(Cl)c1)N(CCO)CCc1ccccc1 95437297 AGJZFNHTMQBIFO-UHFFFAOYSA-N 340.832 1.961 0 40 EDAB COc1ccc2cccc(CC(=O)NCCc3n[nH]c(=O)[nH]3)c2c1 95436092 VVNIBSNWANFTSR-UHFFFAOYSA-N 326.356 1.161 0 40 EDAB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@H]1C=C[C@@]2(C2OCCO2)O1 409305101 LVEYPUVVBVOFHI-IPJQOSJUSA-N 331.299 1.012 0 40 EDAB CN(C)C(=O)Cn1ccc2cc(NC(=O)N3CCOCC3)ccc21 69220236 IRENNHYTQQXFDX-UHFFFAOYSA-N 330.388 1.594 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN([C@H](C(N)=O)c3ccccc3)C2)n1 70040037 MQJSMHGLJJXUCH-WBVHZDCISA-N 327.432 1.834 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cccc(S(C)(=O)=O)c2)c1 70019673 AWIDQHYPEGSCMZ-HNNXBMFYSA-N 347.440 1.900 0 40 EDAB CC(C)N1C[C@H](C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1=O 69452680 ZAYGEXKXHCNZED-GFCCVEGCSA-N 341.452 1.663 0 40 EDAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(N)=O 408710379 ZRQIHEPXFBZPNL-UHFFFAOYSA-N 327.340 1.049 0 40 EDAB CC[C@@](C)(NC(=O)CNC(=O)c1cccc(Cl)c1)C(=O)OC 69529363 UVKGBAXDLCYXOC-OAHLLOKOSA-N 326.780 1.528 0 40 EDAB Cc1cc(NC(=O)CCN2CCN(Cc3nccn3C)[C@H](C)C2)no1 69510985 YEJGPGHJNXTTLF-CYBMUJFWSA-N 346.435 1.251 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@H]2Cn2cccn2)c1 71866245 PQVZTEHMWORARS-INIZCTEOSA-N 347.440 1.733 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)C[C@H](C)n3cccc3)CC2)n1 69625436 FULKPQCXXVPWHZ-HNNXBMFYSA-N 343.431 1.895 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N(C)C[C@H](O)COCc2ccccc2)no1 69654410 KAWVVQUBRLFXAY-HOCLYGCPSA-N 347.415 1.820 0 40 EDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(OCC(N)=O)cc1 69653913 BCDNTHSOJRXNTP-IRXDYDNUSA-N 345.443 1.640 0 40 EDAB Cc1ccccc1C[S@](=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 69704778 LEOJGCLKHQDLJM-XMMPIXPASA-N 348.468 1.325 0 40 EDAB COc1ccc2c(c1)CCCN(C(=O)N[C@H]1CCS(=O)(=O)C1)C2 69847213 YTXHNXCFEWUQIL-AWEZNQCLSA-N 338.429 1.340 0 40 EDAB Cc1nc2c3ccccc3nc(N(C)[C@@H](C)CS(C)(=O)=O)n2n1 71904235 IXWOHLXVIBFTLD-JTQLQIEISA-N 333.417 1.455 0 40 EDAB Cc1ccc(OCCNC(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)cc1 95962748 AEUKRZMFHPEAPX-RDJZCZTQSA-N 345.443 1.884 0 40 EDAB Cc1cccc(C)c1OC[C@H](C)NC(=O)NCCc1ncnn1C 97013755 XCTCLZPQUPNLQT-AWEZNQCLSA-N 331.420 1.741 0 40 EDAB CC(C)N1C[C@@H](C(=O)NCc2nc(-c3ccncc3)no2)CC1=O 72277105 CALZEYYLYRMQHC-LBPRGKRZSA-N 329.360 1.005 0 40 EDAB Cc1nc2c(c(C)c1CNC(=O)[C@@H](C)OCCC(C)C)c(=O)[nH]n2C 72285353 MHFFABYYJCDIEJ-CYBMUJFWSA-N 348.447 1.946 0 40 EDAB Cc1nccn1-c1ccc(CNS(=O)(=O)N2CCC(C)CC2)cn1 72272675 KDSMGGZTCLXWFN-UHFFFAOYSA-N 349.460 1.642 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@H](n3cncn3)C2)c2ccccc2N1 72272167 AYJDKJCJNFYHCA-JSGCOSHPSA-N 325.372 1.568 0 40 EDAB CCn1nc2c(cc1=O)CN(CC(=O)N1CCc3ccccc31)CC2 72302212 VMENNPSNJMIHDM-UHFFFAOYSA-N 338.411 1.211 0 40 EDAB CN(CC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1ncnc2[nH]cnc12 89337133 KSIGPYDQBNHWPM-CHWSQXEVSA-N 328.420 1.874 0 40 EDAB Cc1cccc(-c2ccc(C(=O)NCCCn3cncn3)c(=O)[nH]2)c1 75117617 NDXNPLHFGIGUCO-UHFFFAOYSA-N 337.383 1.762 0 40 EDAB Cc1cc(C)c(CNC(=O)c2cn(C)nc2-c2ccncc2)c(=O)[nH]1 75126037 XMYDLOHXALGCJU-UHFFFAOYSA-N 337.383 1.717 0 40 EDAB CC(C)OC(=O)[C@@H](C)CNC(=O)CNC(=O)OCc1ccccc1 75148632 KNWZXCGMCJFQID-ZDUSSCGKSA-N 336.388 1.617 0 40 EDAB CCN1CCCC[C@H]1C(=O)NCCc1cccc(C(=O)N(C)C)c1 76022684 OZHJWCGFDDWZIO-KRWDZBQOSA-N 331.460 1.922 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1csc(-c3ncccn3)n1)CC2 65474731 YHUOSPALGGHLFA-SNVBAGLBSA-N 341.400 1.245 0 40 EDAB CN1C(=O)[C@]2(c3ccccc31)N(c1ccccc1)C(=O)CS2(=O)=O 8597527 CTNDASMYFUFQMA-QGZVFWFLSA-N 342.376 1.277 0 40 EDAB aggregator CCOc1ccc(N([C@@H](C)C(=O)NCCOC)S(C)(=O)=O)cc1 408926662 VUCLUZHEOKFIGA-LBPRGKRZSA-N 344.433 1.002 0 40 EDAB COc1cccc(C(=O)N2[C@H](C(=O)O)COC23CCN(C)CC3)c1 71980043 NYKDDWGLDNIEGU-AWEZNQCLSA-N 334.372 1.043 0 40 EDAB COc1cccc2c1[C@H](O)[C@]1(O)C=CC3=C(C(=O)C[C@H](C)C3)[C@@H]1[C@H]2O 14850570 KCAUKKHESDCTCZ-YZIYKVBESA-N 342.391 1.988 0 40 EDAB biogenic CC(C)[C@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 78452600 DZIAXRGWMWKOMO-RCBQFDQVSA-N 343.427 1.878 0 40 EDAB O=C(CNCCCN1CCOCC1)Nc1ccc(N2CCCC2)cc1 35311455 HDSZUQRZQVIRDM-UHFFFAOYSA-N 346.475 1.537 0 40 EDAB O=C1CC[C@@H](NC(=O)Cc2noc3ccc(F)cc23)[C@H](C2CC2)N1 567357979 RXHGQNXAMRRGGU-PXAZEXFGSA-N 331.347 1.683 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@H]1c1cccc(Nc2cnccn2)n1 72375382 TYHFOTQKZVPTIJ-AWEZNQCLSA-N 340.387 1.415 0 40 EDAB Cc1c(CN2CCc3c(O)nc(N4CCCCC4)nc3C2)cnn1C 72389550 KLRLSRPLMZFKCJ-UHFFFAOYSA-N 342.447 1.773 0 40 EDAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCO 217523885 BCBZDHUFMVUAGV-SNVBAGLBSA-N 330.406 1.256 0 40 EDAB CCc1cc(CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)[nH]n1 79002221 CSZRNYVHKNYBFD-UHFFFAOYSA-N 325.372 1.771 0 40 EDAB Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN2Cc2noc(C)n2)n1 72388401 XMTTVIUFNUXHOO-KRWDZBQOSA-N 344.419 1.689 0 40 EDAB CC(=O)N1CCN(C(=O)CN2C(=O)CCCc3ccccc32)CC1 227168740 ALZYMHILZNNZNA-UHFFFAOYSA-N 329.400 1.047 0 40 EDAB O=C(Cn1cc(COc2ccc(F)cc2)nn1)NCc1cccnc1 227160685 WWGZJHNPJTVPIO-UHFFFAOYSA-N 341.346 1.708 0 40 EDAB COCCN(CC(=O)O)C(=O)NCC1(c2ccc(F)cc2F)CC1 569375119 YWPZFTCUYSOINV-UHFFFAOYSA-N 342.342 1.739 0 40 EDAB Cc1ccccc1OCC(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 75163092 LWZOIIFXPMOECD-UHFFFAOYSA-N 339.355 1.292 0 40 EDAB Cc1cccc(CC(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1 69894282 QAVLLQQNSIHAQY-UHFFFAOYSA-N 339.395 1.210 0 40 EDAB CN(C)c1cccc(C(=O)NS(=O)(=O)c2ccc3c(c2)COC3)c1 225788915 LHIFNTBOCDUQPF-UHFFFAOYSA-N 346.408 1.902 0 40 EDAB Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CO3)C2)nn1 225429696 FNUGBVXZXUPRGM-IAGOWNOFSA-N 339.395 1.906 0 40 EDAB Cn1nc(C2CC2)nc1CN1CCNC(=O)C[C@@H]1c1ccccc1 575918607 DCIGYLAMCMMAMS-OAHLLOKOSA-N 325.416 1.756 0 40 EDAB Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](N(C)C)C2)nn1C 577171077 FUHDNDPPESHQPF-ZBFHGGJFSA-N 349.479 1.036 0 40 EDAB COc1cc(N2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)ncn1 96042588 ULKNETXGGSMSKE-XNJGSVPQSA-N 328.372 1.695 0 40 EDAB COC(=O)[C@@H](c1cccnc1)N1CCC(CO)(NCC2CC2)CC1 577757206 PWZCIGXKBVJGCX-MRXNPFEDSA-N 333.432 1.122 0 40 EDAB Cc1nnc([C@H]2CO[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)o1 96216438 GQCPZJUHPLYIGF-HZSPNIEDSA-N 335.385 1.181 0 40 EDAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)Cc3ccccn3)CC2)C1 96220643 ZTJCVQYRIOQLJX-MRXNPFEDSA-N 345.443 1.546 0 40 EDAB CC(C)Cn1cnc2c1[C@H](C(=O)O)CN(C(=O)c1cccn1C)C2 96067857 WEJBLONRRNCYCU-GFCCVEGCSA-N 330.388 1.702 0 40 EDAB Cc1nc[nH]c1CN1CCC2(CC1)C[C@H](Nc1ncccn1)CO2 96224786 XTWZGPXNTUDTHM-AWEZNQCLSA-N 328.420 1.744 0 40 EDAB O=C(Nc1cccnc1)c1noc2c1CN(S(=O)(=O)C1CC1)CC2 96083721 QEZKZSRMMBNLEA-UHFFFAOYSA-N 348.384 1.172 0 40 EDAB Cc1occc1C(=O)N1CCc2ncnc(N3CCOCC3)c2CC1 96255717 KVSYMYOPFHXVFK-UHFFFAOYSA-N 342.399 1.456 0 40 EDAB Cc1ccc(CS(=O)(=O)N2CC[C@H](N(C)C)C[C@@H]2C(=O)O)cc1 96198713 UQMYYPXRBYIURI-LSDHHAIUSA-N 340.445 1.304 0 40 EDAB COc1ccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)cc1 96252998 LTRKTKUFGPTYDI-FGTMMUONSA-N 330.428 1.811 0 40 EDAB O=C(c1ccncc1)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 96245332 NUMVNNXHWBFYFQ-WBVHZDCISA-N 339.370 1.951 0 40 EDAB COC(=O)[C@H](C)CC(=O)Nc1ccc(I)cn1 96483322 BCXNKMQFKBZRAA-SSDOTTSWSA-N 348.140 1.824 0 40 EDAB COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3nccs3)C[C@@H]21 96043426 SUAKGTQJDHYLMD-MGPQQGTHSA-N 339.461 1.133 0 40 EDAB O=C(NCCN1CCC[C@@H](CO)C1)c1ccc(CN2CCCC2)cc1 97572283 REIVKDPITMPNLT-GOSISDBHSA-N 345.487 1.717 0 40 EDAB C[C@@H](CNC(=O)NC[C@](C)(O)c1cnn(C)c1)Cc1cccs1 96440845 UQRFOZCTCYXLLG-WBMJQRKESA-N 336.461 1.867 0 40 EDAB O=C(c1ccno1)N1CCn2nnc(COCc3cccnc3)c2C1 96084324 FYGJCOXIYJYMQN-UHFFFAOYSA-N 340.343 1.034 0 40 EDAB CNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1cn(C)c3ccccc13)C2 96064850 LJWGCAYPRSBTCB-IEBWSBKVSA-N 327.428 1.905 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC[C@@H](n2ccnn2)C1 583496066 ZJIFOOBIYHYCNO-WOSRLPQWSA-N 328.372 1.670 0 40 EDAB C[C@H](C(=O)NCCc1cccs1)N(C)C[C@H]1CCS(=O)(=O)C1 245338819 ORNPNXBXAKSFBA-CHWSQXEVSA-N 344.502 1.162 0 40 EDAB CN(C)S(=O)(=O)N1Cc2ccnn2[C@H](COCC2CCCC2)C1 247987030 ZLVSBEPZFSWXLL-HNNXBMFYSA-N 342.465 1.253 0 40 EDAB Cc1cc(CN2Cc3cccn3C[C@@H](C(=O)NCC3CC3)C2)n(C)n1 248070315 XHODMJNTTMZTFG-INIZCTEOSA-N 341.459 1.688 0 40 EDAB CCn1cc(C(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)cn1 257217090 CXKSIDIQDJVKMR-ZDUSSCGKSA-N 328.420 1.760 0 40 EDAB CN(C)c1cnc(C[C@@H]2CCCN(C(=O)c3nccn3C)CC2)cn1 257285374 PGTVHURBQWTJAP-CQSZACIVSA-N 342.447 1.761 0 40 EDAB Cc1ncsc1-c1cc(C(=O)N2CCC(C(N)=O)CC2)ccn1 257284411 PCPCKBHCXVMIKR-UHFFFAOYSA-N 330.413 1.851 0 40 EDAB Cc1cc(C(=O)N2[C@@H]3CN(C)[C@@H]4CCCC[C@H]2[C@]4(C)C3)nc(O)n1 257265004 LWWVAPMKKMFZCB-WLLUSJSYSA-N 330.432 1.968 0 40 EDAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CCC[C@H]1C(N)=O 253409118 ZMKQPOVWBAWVEN-IUCAKERBSA-N 335.385 1.546 0 40 EDAB biogenic,in-vitro CS(=O)(=O)NCc1ccc(Cl)cc1I 277776705 SXQDARNFFGULHO-UHFFFAOYSA-N 345.589 1.994 0 40 EDAB CCOC(=O)c1ccc(N2CCN(c3nccc(OC)n3)CC2)nc1 26707744 QZJZZFCUNIGYEF-UHFFFAOYSA-N 343.387 1.384 0 40 EDAB CCOC(=O)c1nc(=NCc2cnc(C(F)(F)F)nc2)cc[nH]1 596296744 ZPNAYPRUHRAJNM-UHFFFAOYSA-N 327.266 1.496 0 40 EDAB COc1ccc2c(c1)C[C@@H](C(=O)Nc1cc(C)nn1CC(=O)O)CO2 1615003098 DDZBVURARMYLKC-GFCCVEGCSA-N 345.355 1.475 0 40 EDAB Cc1ncccc1OS(=O)(=O)c1cnc(C2OCCO2)s1 1615587272 WWMGZPIBECHNDB-UHFFFAOYSA-N 328.371 1.660 0 40 EDAB COCCC1(CNS(=O)(=O)C[C@@H]2C[C@@H]2C(=O)OC)CCCC1 1616037966 MYACWEJANSSSBF-STQMWFEESA-N 333.450 1.312 0 40 EDAB O[C@H]1[C@@H]2OC3(CCCCC3)O[C@H]2[C@H](O)[C@H]2OC3(CCCCC3)O[C@@H]12 100713797 LJLFYCLESOMKAW-OJFNHCPVSA-N 340.416 1.611 0 40 EDAB in-vitro Cn1cccc(C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)c1=O 96096413 QOLQXWHXELGXKA-MRXNPFEDSA-N 325.368 1.340 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CC[C@H](Oc3ncc(F)cn3)C2)cc1 390827129 DYHCPYSRTWDUPY-HNNXBMFYSA-N 344.346 1.868 0 40 EDAB O=C(CCN1CCOCC1)N1CC[C@@H](O)[C@H](Cc2ccccc2)C1 585270992 DILXFIKUHSMVJC-QZTJIDSGSA-N 332.444 1.161 0 40 EDAB Cc1ccccc1OC[C@]1(O)COCCN(Cc2cnccn2)C1 585275541 GCGNNXGTQVRQHG-GOSISDBHSA-N 329.400 1.427 0 40 EDAB Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCNC2=O)cc1 69597025 GQCDLZIVEPCLIL-UHFFFAOYSA-N 349.354 1.140 0 40 EDAB NC(=O)C1(CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 52745214 HLWMFANYKANNCX-QWRGUYRKSA-N 336.354 1.753 0 40 EDAB CCOC(Cn1cc(C(=O)Nc2cc(C(C)C)n[nH]2)nn1)OCC 58225679 BNMYSZIGMSRDMQ-UHFFFAOYSA-N 336.396 1.776 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N(CC)c1cccc(F)c1 55663115 JGFOVAGFAZSENS-UHFFFAOYSA-N 341.364 1.941 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N1CCN(Cc2cscn2)CC1 56625778 IKMVMVYKMSVJLB-ZDUSSCGKSA-N 334.449 1.256 0 40 EDAB Cc1noc(-c2cccnc2N2CCC[C@@H](CN3CCOCC3)C2)n1 78249987 VXNCOEUPQDCAMX-HNNXBMFYSA-N 343.431 1.989 0 40 EDAB Cc1ccn(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(=O)c1 78526821 KAICRGWGVSRBEB-UHFFFAOYSA-N 325.368 1.688 0 40 EDAB Cn1cnc2c(NC[C@H](c3ccsc3)N3CCOCC3)ncnc21 1775972658 PZJZVRGANYATHR-CYBMUJFWSA-N 344.444 1.910 0 40 EDAB CC(=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O 5632926 TYISSGFGUZUDKJ-STQMWFEESA-N 328.409 1.112 0 40 EDAB COC(=O)[C@H]1CN(C(=O)c2cn(C)nc2C)C[C@@H]1c1ccc(F)cc1 12157233 WSNRGQWFFLTHPM-CVEARBPZSA-N 345.374 1.896 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)cn1 12367411 MHQIFXIIQINKOO-ZDUSSCGKSA-N 327.388 1.581 0 40 EDAB COc1ccc(S(=O)(=O)c2c[nH]c(=S)[nH]c2=O)cc1Cl 12471136 FBBWXNGNQYIFSS-UHFFFAOYSA-N 332.790 1.927 0 40 EDAB CCn1cc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cn1 14226968 LMSAAKASVPUGFM-UHFFFAOYSA-N 336.417 1.682 0 40 EDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3O)C2=O)o1 6169718 QLIFOGJOAMEKRN-WQLSENKSSA-N 342.307 1.865 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sccn2C)cc1 6335134 PDJCRKUGMVNXNS-YPKPFQOOSA-N 325.415 1.078 0 40 EDAB COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1OC 6421642 DPQJOZNUCPJMRF-RUDMXATFSA-N 340.719 1.081 0 40 EDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)OC1CCCC1 575616732 MHMBILGATNCDKK-ZDUSSCGKSA-N 330.450 1.307 0 40 EDAB Cc1nsc(N2CCN(c3cc(C4CCOCC4)ncn3)CC2)n1 1888842819 IBVGNCMMCOMDMI-UHFFFAOYSA-N 346.460 1.857 0 40 EDAB O=C(c1cscn1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037839899 DXYMZEISBWFXKF-KRWDZBQOSA-N 343.408 1.791 0 40 EDAB COCCCN1CC[C@@H]2CN(C(=O)c3ccc(OC)nc3)C[C@@H]2CC1 2056224580 WLJCPHASNAOLEE-CALCHBBNSA-N 347.459 1.911 0 40 EDAB O=C(C1CC(O)C1)N1CCOC2(CCN(Cc3ccncc3)CC2)C1 1565552532 YRTOLDNQSVLPQS-UHFFFAOYSA-N 345.443 1.046 0 40 EDAB COc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1OC 4479371 VHYMZEGLWAFVEA-UHFFFAOYSA-N 336.369 1.604 0 40 EDAB COc1ccc(Nc2ccnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 12227522 BGPUKDGLSFBYAU-UHFFFAOYSA-N 342.355 1.393 0 40 EDAB CCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(O)c1 15105964 NKWDNAOTLBAZTP-AWEZNQCLSA-N 328.376 1.536 0 40 EDAB CCCN(CC)C(=O)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055713836 PVKOUPCUXVUVEY-AWEZNQCLSA-N 332.448 1.844 0 40 EDAB Cc1cc(NC[C@H](c2ccsc2)N2CCOCC2)n2ncnc2n1 1775972508 IOECCLKVTOLVKN-CQSZACIVSA-N 344.444 1.980 0 40 EDAB CCN1CCN(C(=O)NCc2cc(-c3ccco3)cs2)C(=O)C1=O 1775968764 UYIPWUTWGBVRIH-UHFFFAOYSA-N 347.396 1.908 0 40 EDAB COc1nc(CNC(=O)c2cc(-c3cccs3)on2)nc(OC)n1 575608415 UFBHMBBWFSPHPG-UHFFFAOYSA-N 347.356 1.535 0 40 EDAB Cc1nn(CCNC(=O)c2cn(C)nn2)c(C)c1-c1ccsc1 575615617 RLNCPOUAUFMNLE-UHFFFAOYSA-N 330.417 1.787 0 40 EDAB Cc1nc(CN2CCN(c3cccc(-n4cccn4)n3)CC2)no1 2298055241 LTGCSVXNSOXVRA-UHFFFAOYSA-N 325.376 1.281 0 40 EDAB CSC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1C 75157340 BEVPCXQZZFUDDA-CQSZACIVSA-N 330.837 1.817 0 40 EDAB COc1ccccc1[C@H](C)N(C)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 40498646 VVZHGLOVINGYPZ-LBPRGKRZSA-N 345.399 1.532 0 40 EDAB Cn1c(=O)c2ccc(C(=O)N3CCCCCCC3)nc2n(C)c1=O 32796438 ICYWLSPLCFYCSU-UHFFFAOYSA-N 330.388 1.039 0 40 EDAB COc1ccc(CNC(=O)CCNC(=O)Cc2ccccc2)cn1 32882630 UYIUIHZYFSRPKM-UHFFFAOYSA-N 327.384 1.455 0 40 EDAB CC1CCC(NC(=O)CN(C)S(=O)(=O)c2cccnc2)CC1 33152943 DCQCERORLKLHJI-UHFFFAOYSA-N 325.434 1.397 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc2ncccc2c1 103171888 OXFAUNBEYLXQFP-RPLLJCPNSA-N 347.374 1.980 0 40 EDAB NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1 72275204 CLRXFIYTCOBYEW-GFCCVEGCSA-N 328.409 1.285 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CC[C@H](N(C)Cc3noc(C)n3)C2)no1 78891077 NOBPLNIJBBQXPP-YPMHNXCESA-N 348.407 1.208 0 40 EDAB O=C(NCCOc1ccc2ccccc2c1)N1CCO[C@@H](CO)C1 78842188 GRDDXLJZTGUWAP-QGZVFWFLSA-N 330.384 1.621 0 40 EDAB C[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C[C@H]1N(C)C 78895773 JGBHVUAODSGVAR-MLGOLLRUSA-N 331.416 1.359 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)c3ccnc(C4CC4)n3)C2)n[nH]1 78901432 FFIBJKPARSQAFH-LLVKDONJSA-N 340.387 1.196 0 40 EDAB CCOc1cncc(N2CCN(Cc3nccn3C(F)F)CC2)n1 95425650 LNMQMSJBMYMAHE-UHFFFAOYSA-N 338.362 1.789 0 40 EDAB O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccoc1 57008726 OWCYPTBRFVAPRY-UHFFFAOYSA-N 346.767 1.780 0 40 EDAB COc1ccc(N[C@H](C)c2nc(C)no2)cc1S(=O)(=O)N(C)C 27170646 YLALWLYOYMCCHL-SECBINFHSA-N 340.405 1.810 0 40 EDAB CCn1c(S)nnc1CCNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 109057994 IYKVLVYRWBEAKV-FOSCPWQOSA-N 336.461 1.641 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc3ncccn3n2)C1 10073162 JQXHADWYCKPOJZ-LLVKDONJSA-N 349.416 1.018 0 40 EDAB CN(C)[C@@H](CNC(=O)CNC(=O)c1ccccc1)c1cccc(F)c1 27593093 BVVXHKDRAWAYLM-KRWDZBQOSA-N 343.402 1.975 0 40 EDAB C[C@H]1CN(c2ccc(Nc3ccc4nnnn4n3)cn2)C[C@@H](C)O1 44976403 ABYSHDAIAIDKET-PHIMTYICSA-N 326.364 1.272 0 40 EDAB CCN(CC)c1ccc(NC(=O)CNCCN2CCOCC2)c(C)c1 57698731 UIECGGNOUNXPKV-UHFFFAOYSA-N 348.491 1.702 0 40 EDAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCn2c(nnc2C2CC2)C1 84647174 GAGCDYCVGBWMDD-NSHDSACASA-N 336.399 1.969 0 40 EDAB Cn1cc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)cn1 107721293 LHCCAFLRCJGMJK-OKZBNKHCSA-N 328.416 1.764 0 40 EDAB Cn1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1=O 28272760 QNWNSMFQQQZKAT-UHFFFAOYSA-N 325.412 1.780 0 40 EDAB O=C(COc1cccc(C(F)(F)F)c1)N[C@H]1CCS(=O)(=O)C1 10860262 UPNRLZAGDPHGAR-JTQLQIEISA-N 337.319 1.388 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1COc2ccccc2C1 45786115 VOXXTJACHJKPFU-CQSZACIVSA-N 335.363 1.516 0 40 EDAB Cc1ccccc1C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 29188663 RBACGAAMXGJXOB-ZIAGYGMSSA-N 340.445 1.164 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1cn(-c3ccccc3)nn1)CC2 97198088 BOEWOUBERQGWTR-LBPRGKRZSA-N 337.387 1.166 0 40 EDAB O=C1NC2(CCN(C(=O)[C@H](c3ccccc3)N3CCCC3)CC2)CO1 96010089 IXDXRZSKDBVMJM-INIZCTEOSA-N 343.427 1.925 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 110660775 RZPKBCYJGVXLAU-QZWWFDLISA-N 331.464 1.787 0 40 EDAB Cc1csc(N(C(=O)Cn2nc3n(c2=O)CCCCC3)C2CC2)n1 95400081 YVPHIJINIGBMBL-UHFFFAOYSA-N 347.444 1.732 0 40 EDAB COc1ccccc1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C 65513242 DCPTZVKQJBOMCV-OLZOCXBDSA-N 340.445 1.763 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(OC)c2c(c1)OCCO2 65575090 LHXBAIRIVSGNCY-LBPRGKRZSA-N 336.388 1.357 0 40 EDAB O=C1N[C@H](C(=O)O)CS[C@H]1Cc1ccccc1Br 62712278 OIAOEBVYBRZTER-UWVGGRQHSA-N 330.203 1.676 0 40 EDAB C/C=C/C(=O)OCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 5462747 RRQDLLAANRTFRY-XCVZWFEFSA-N 337.397 1.326 0 40 EDAB O=S1(=O)C[C@H]2NC(=S)N(c3cccc(Br)c3)[C@H]2C1 6645683 BKUSPAWVPHUXGK-ZJUUUORDSA-N 347.259 1.309 0 40 EDAB Cc1c(C)c2cc(Cl)c(OCC(=O)NCCCO)cc2oc1=O 6658631 BADHNXXFJRIAOQ-UHFFFAOYSA-N 339.775 1.941 0 40 EDAB Cn1nc(C(=O)O[C@H](C(N)=O)c2ccccc2)c2ccccc2c1=O 14731904 RPRAEEFLVRQNAU-HNNXBMFYSA-N 337.335 1.317 0 40 EDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCCCCOC)C1=O 71799770 BPDHESUGNSGJQF-SFHVURJKSA-N 348.399 1.814 0 40 EDAB Cc1cc2nc(N3CC[C@H](CNc4ccccn4)C3)cc(=O)n2o1 97200287 RAVDOCADKGNLBQ-CYBMUJFWSA-N 325.372 1.929 0 40 EDAB CNC(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(C)c1 6993884 SUMVEOKQDHZLNG-UHFFFAOYSA-N 347.444 1.250 0 40 EDAB Cc1cc(N2N=C(c3ccco3)C[C@@]2(O)C(F)(F)F)nc(N)n1 4942633 JSZOWRVLIWHNAV-GFCCVEGCSA-N 327.266 1.826 0 40 EDAB CNS(=O)(=O)CC(=O)N(C)C1c2ccccc2-c2ccccc21 83616410 LVGDUGWGESOXJP-UHFFFAOYSA-N 330.409 1.764 0 40 EDAB CC1(C)C[C@H](C(=O)N(Cc2n[nH]c(=O)[nH]2)c2ccccc2)CCO1 72404560 RCWYVBNHKIISTK-GFCCVEGCSA-N 330.388 1.836 0 40 EDAB O=S1(=O)C[C@@H]2NC(=S)N(CCc3cc4ccccc4[nH]3)[C@H]2C1 9547540 CZEFRXWUHIOMAN-KBPBESRZSA-N 335.454 1.066 0 40 EDAB C[C@H](NS(C)(=O)=O)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 67839863 KKSDTANDFQOIDG-LBPRGKRZSA-N 349.456 1.812 0 40 EDAB CCNC(=O)N1CC[C@@H](NC(=O)NCCc2cc(F)cc(F)c2)C1 95416129 MEKUTSJZXAGTHH-CQSZACIVSA-N 340.374 1.610 0 40 EDAB Cc1nc2ccc(C(=O)OCC(=O)NC[C@@H]3CCCO3)cc2nc1C 7557586 YPMUKQHHNHORHR-AWEZNQCLSA-N 343.383 1.699 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)cn1 71841679 BECUKPBPAHWYMQ-CQSZACIVSA-N 332.404 1.499 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)[C@H]1Oc3ccccc3O[C@@H]1C)C2 71864889 ULJSMXZZAIJUAA-WBMJQRKESA-N 342.399 1.972 0 40 EDAB Cc1cccc2nc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)cn12 69037409 GHLNTIATKVTBNB-UHFFFAOYSA-N 333.351 1.809 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)NCc2ccco2)s1 69150567 LTTDXKRTZOAELE-UHFFFAOYSA-N 329.403 1.249 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC(=O)NCc3cccs3)CC2)n1 69348173 RHNSXCXNNAEHOL-LBPRGKRZSA-N 349.460 1.435 0 40 EDAB CN(CCN1CCOCC1)C(=O)c1ccccc1N(C)C(=O)C1CC1 69351488 QUBQSJGGACYQLD-UHFFFAOYSA-N 345.443 1.464 0 40 EDAB CCO[C@H](C)c1noc(CN2CCO[C@H](c3nc(CC)n[nH]3)C2)n1 83830184 NXKMWRUTCZBEMX-MNOVXSKESA-N 336.396 1.421 0 40 EDAB Cc1ccc(CNS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cn1 69443955 JEPFEUINENVQFU-UHFFFAOYSA-N 331.401 1.459 0 40 EDAB Cc1csc(NC(=O)COC(=O)CCn2c(C)csc2=O)n1 17153828 HZKUCBRTAQFOFM-UHFFFAOYSA-N 341.414 1.555 0 40 EDAB Cc1cccc(OCCNC(=O)[C@H](C)N2CCc3cncnc3C2)c1 69571094 KQGVILXDHKEPON-HNNXBMFYSA-N 340.427 1.727 0 40 EDAB C[C@H](NC(=O)C(=O)Nc1cccnc1)C(=O)N1CCc2ccccc21 69655297 NIHHJAZQLNDCQW-LBPRGKRZSA-N 338.367 1.114 0 40 EDAB CC1CCN(C(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)CC1 20245573 JOHNUMZTPAFGLG-UHFFFAOYSA-N 339.461 1.801 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)NCc1ccccc1 69738759 FAEWUXIIZMLUJG-ROUUACIJSA-N 329.444 1.778 0 40 EDAB CC(C)(C)C(=O)N1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 69972217 XGEDJCRUPJDGGH-LLVKDONJSA-N 335.370 1.340 0 40 EDAB C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)NC[C@@H]1CCCO1 8727022 JWUAFTFTOLRYEY-YPMHNXCESA-N 347.444 1.653 0 40 EDAB CN(C)c1ncncc1NC(=O)CCn1c(=O)n(C)c2ccccc21 97019754 VAPRRBKFSYGWQY-UHFFFAOYSA-N 340.387 1.225 0 40 EDAB O=C(NC1CCN(C2CC2)CC1)N[C@H]1CCN(C(=O)C2CCCC2)C1 95416861 AQXFALXMKPQAGL-INIZCTEOSA-N 348.491 1.704 0 40 EDAB Cn1cc(N2CCC[C@H](N3CCOc4ccccc4C3)C2=O)cn1 98013257 GKLRLQALILRQCT-INIZCTEOSA-N 326.400 1.810 0 40 EDAB C[C@@H](O)C1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 73817866 IOODTEJIWBZSID-QGZVFWFLSA-N 345.487 1.818 0 40 EDAB C[C@H](CCC(=O)O)NC(=O)c1cccn(Cc2ccccc2)c1=O 95991893 BLVUKDVVPSFQAS-CYBMUJFWSA-N 328.368 1.880 0 40 EDAB COCCCN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95999696 YRZGFUZEIMYPCO-SFHVURJKSA-N 331.460 1.836 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)cc1F 95994975 HUBBEVGYZYHJHM-CYBMUJFWSA-N 338.408 1.827 0 40 EDAB CCn1c(C)nnc1CN(C)[C@H]1CCN(Cc2c(C)noc2C)C1 89300530 MEXVGCSNANEKIE-HNNXBMFYSA-N 332.452 1.918 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 89496995 PVGNCBBITGHJHV-RDBSUJKOSA-N 325.453 1.842 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)NCCNc2ccccn2)C1 89761889 QIYOLXSEDLTHBQ-ZDUSSCGKSA-N 329.408 1.211 0 40 EDAB O=C(NCc1ccccc1-n1ccnc1)N1CCN(C2CC2)CC1 89813956 MAENGBZIUBXURG-UHFFFAOYSA-N 325.416 1.862 0 40 EDAB O=C(c1ccoc1)N1CCN(C(=O)c2cc(O)nc(C3CC3)n2)CC1 1010344261 OLDSIWUNEYLKKK-UHFFFAOYSA-N 342.355 1.251 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2cccc(OCC(=O)O)c2)cc1 519510409 PVSJVRXZQUOZTJ-UHFFFAOYSA-N 335.381 1.937 0 40 EDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCCn1ccnc1 524734190 GRFCTEUFSDRDEL-UHFFFAOYSA-N 331.424 1.417 0 40 EDAB CCOc1cc(C)nc(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)n1 35315762 YZAFROPQGWMLQY-OAHLLOKOSA-N 348.447 1.695 0 40 EDAB Cc1cc(CCC(=O)NCc2ccnn2C)nc([C@@H]2CCCNC2)n1 72366875 MBXFIQHDJHPNPV-CQSZACIVSA-N 342.447 1.235 0 40 EDAB CCNS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)O)c1 217540110 AOSYYPVLZCJFDN-JTQLQIEISA-N 328.390 1.274 0 40 EDAB COc1ccc(OCC(=O)Oc2cc(=O)n3cccc(C)c3n2)cc1 72427428 OFYQBQCINKJCFF-UHFFFAOYSA-N 340.335 1.996 0 40 EDAB CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 78611454 QEUCMVUAVNIVEI-STQMWFEESA-N 328.409 1.308 0 40 EDAB C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccco3)cn2)CCO1 188603822 GBLBBUCVXYVBDK-LBPRGKRZSA-N 337.401 1.378 0 40 EDAB CN(CCN1CCCCC1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 36753053 ABHVFGMUFSOVJB-QGZVFWFLSA-N 342.447 1.401 0 40 EDAB O=C(Cc1csc(NC(=O)c2cnccn2)n1)NC[C@@H]1CCCO1 38740175 RCDSTJILIDVWLK-NSHDSACASA-N 347.400 1.023 0 40 EDAB CN(C)c1ccc(C[C@@H]2CCCN(C(=O)c3cnccn3)C2)nn1 72366102 IPRQUNPZLLWGCZ-ZDUSSCGKSA-N 326.404 1.428 0 40 EDAB COc1ncccc1NC(=O)N[C@H]1CCCc2c1cnn2CCO 47125190 AANXEXGAQLDCMH-LBPRGKRZSA-N 331.376 1.478 0 40 EDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCN(C)C2CC2)c1 48355723 MQZLUFQPWKMHRN-UHFFFAOYSA-N 339.461 1.117 0 40 EDAB CO[C@@H]1COC[C@@H]1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 569787052 DHNSOIASSJXHSC-AYOQOUSVSA-N 346.471 1.860 0 40 EDAB Cn1nc(C(=O)NCc2ccnc(-c3ccsc3)c2)ccc1=O 225755788 KVKPYHINOPJIRC-UHFFFAOYSA-N 326.381 1.834 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)[C@H](C)Oc3ccccc3)C2)nn1 225434653 IVOVHMUFMHLJPH-DZGCQCFKSA-N 343.383 1.932 0 40 EDAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCCS(=O)(=O)CC1 69813045 BIMSAMAJQAFFFR-NSHDSACASA-N 330.837 1.788 0 40 EDAB O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)C1CCN(C(=O)N2CCCC2)CC1 570970727 QLYSEBJFNHSSKF-QLFBSQMISA-N 349.431 1.378 0 40 EDAB Cc1cnc([C@H](C)NCC(=O)N2CCN(c3cnccn3)CC2)s1 193553457 ZOCSPWCXTSAAOJ-ZDUSSCGKSA-N 346.460 1.241 0 40 EDAB C[C@@H](c1ccccc1)S(=O)(=O)N(C)Cc1nnc2n1CCOC2 571068790 PKJWEBWILAKNDK-LBPRGKRZSA-N 336.417 1.331 0 40 EDAB CC1(CO)CCN(C(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)CC1 571102029 CVWRNELWZDMKSL-IBGZPJMESA-N 330.428 1.455 0 40 EDAB CN(C)C(=O)CCCCS(=O)(=O)CC(=O)NC1CCCCC1 69892634 IPVAUCDXZTYTFW-UHFFFAOYSA-N 332.466 1.109 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ncsc2C(C)C)cn1 572234562 IQKRJRLCVRVQRL-UHFFFAOYSA-N 340.430 1.822 0 40 EDAB Cc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN(C)C)c2=O)cc1Cl 222667911 HWYCFTCVEUWUCH-UHFFFAOYSA-N 337.763 1.247 0 40 EDAB Cc1cc(N2CCC(NC(=O)[C@H]3COc4ccccc4O3)CC2)n[nH]1 225750405 QPVGUYLKQJPTHZ-MRXNPFEDSA-N 342.399 1.643 0 40 EDAB CS[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3ccccn3)CC2)C1 96436613 KNSDIIXIPJWMOH-HZPDHXFCSA-N 348.516 1.994 0 40 EDAB Cn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)c1ccnnc1)C2 96198291 GUKBHPRWEZQJHI-OAHLLOKOSA-N 327.388 1.376 0 40 EDAB C[C@H](NC(=O)[C@@H](C)c1cc2ccccc2o1)C(=O)N1CCOCC1 96451201 IBOOESMCQWNCDY-STQMWFEESA-N 330.384 1.900 0 40 EDAB O=C1CC[C@@](C(=O)N2CCC3(CCNC3)CC2)(c2ccccc2)CN1 582976516 XUBXAFDDWIVCEU-FQEVSTJZSA-N 341.455 1.437 0 40 EDAB O=C(NC[C@H]1Cn2nnc(-c3ccsc3)c2CO1)N1CCCC1 96100596 NKEXTTJHUZAVEJ-LBPRGKRZSA-N 333.417 1.711 0 40 EDAB Cc1ccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NCc3cccnc3)C2)o1 96253286 SQGYMQSWOJPINB-FGTMMUONSA-N 341.411 1.889 0 40 EDAB Cc1ccc(N[C@H]2CO[C@]3(CCN(Cc4cnn(C)c4)C3)C2)nn1 96072772 LYEZDWOAYCKQQR-NVXWUHKLSA-N 328.420 1.364 0 40 EDAB NS(=O)(=O)C[C@@H]1CCCN1Cc1cccc(Br)c1 96483337 GUKZYHABVUWYLJ-LBPRGKRZSA-N 333.251 1.702 0 40 EDAB C[C@@H]1CN(Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)C(C)(C)CO1 230468538 ZEZLUIRVXKAFTK-CZUORRHYSA-N 341.477 1.416 0 40 EDAB 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Cc1noc(C)c1CN(C)C(=O)N[C@H]1CCCc2c1cnn2CCO 65440456 BMQQBUKPEUUOPI-HNNXBMFYSA-N 347.419 1.699 0 40 EDAB CCN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)[C@@H]1CC(=O)NC1=O 65623435 ZLGWSOBFIKVIHW-XVJNWHFHSA-N 338.367 1.149 0 40 EDAB O=C(O)Cc1c(C(=O)O)nnn1-c1ccc(Br)cc1 6588687 OHMIABAJKCCISW-UHFFFAOYSA-N 326.106 1.355 0 40 EDAB CC1(COC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)COC1 66522584 LJDVRJXJHGZYBE-UHFFFAOYSA-N 341.429 1.957 0 40 EDAB CCCC(=O)O[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 5782045 RRKQFXCEPOYXEE-LLVKDONJSA-N 342.417 1.607 0 40 EDAB CCCN1CC2=C(C1=O)[C@@H](c1ccc(OC)c(OC)c1)NC(=O)N2 4854767 TYYMJGJNKZPUTA-OAHLLOKOSA-N 331.372 1.564 0 40 EDAB Cc1ccccc1OCCCC(=O)NC1CCN(CC(N)=O)CC1 71795931 LXFZJSKEDGGIKK-UHFFFAOYSA-N 333.432 1.220 0 40 EDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 71797421 AILMECVNKWSZLO-XJKSGUPXSA-N 332.375 1.737 0 40 EDAB O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NCc1cccs1 5819042 LPGLIAYNUNDMDS-UHFFFAOYSA-N 345.384 1.348 0 40 EDAB O=C1CN(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)CCN1 83751127 KEBBFZQQIOWDAV-AWEZNQCLSA-N 347.806 1.267 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc[nH]c1=O 15879638 HMCMDMXLTGJOFD-UHFFFAOYSA-N 344.323 1.347 0 40 EDAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc2c(c1)COC2 68075103 RMWTVMVDVANADI-UHFFFAOYSA-N 332.381 1.641 0 40 EDAB Cn1c(CN2CCC[C@@H]2Cc2ccc(F)cc2)cc(=O)n(C)c1=O 71818424 TVKQENNPDKHZTQ-OAHLLOKOSA-N 331.391 1.430 0 40 EDAB CC(C)c1nc2n(n1)C[C@H](NCC(=O)NCCc1ccsc1)CC2 71871829 NIMPJEOQUDBWTK-CQSZACIVSA-N 347.488 1.726 0 40 EDAB Cc1ccc(N2CCC[C@H](N(C)CC(=O)Nc3cc(C)no3)C2)nn1 71859810 SJQGHVGHQQUXEV-AWEZNQCLSA-N 344.419 1.621 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1CCCS(=O)(=O)N(C)C 71876730 GRITWGCDHXYPLQ-AWEZNQCLSA-N 328.482 1.455 0 40 EDAB O=C1CC[C@H](C(=O)Nc2cccc3c2CCN(CC(F)(F)F)C3)N1 95454653 LOXWRIYVHVBGOG-CYBMUJFWSA-N 341.333 1.824 0 40 EDAB CCc1nnc(CS(=O)(=O)CCOc2ccc(OC)cc2)n1C 90989234 UKSAFFIANPOLLX-UHFFFAOYSA-N 339.417 1.380 0 40 EDAB CCc1n[nH]c([C@@H]2CN(CC[S@@](=O)c3ccccc3)CCO2)n1 83830139 FZKVGXMWEXBBAC-PSLXWICFSA-N 334.445 1.548 0 40 EDAB CS(=O)(=O)NCCNC(=O)CCc1csc2ccccc12 95408960 QUQSDZULAYYCIM-UHFFFAOYSA-N 326.443 1.499 0 40 EDAB COC(=O)[C@H](CNC(=O)[C@H]1CCCN(C(=O)N(C)C)C1)CC(C)C 71922057 LSOKKBXBPHHHCC-KBPBESRZSA-N 341.452 1.332 0 40 EDAB O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)NCc2ccccn2)C1 71921998 MGXGSODBKKPTJR-LLVKDONJSA-N 346.416 1.493 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C(N)=O)cc1 16732777 AFXWUNZGCOYXQN-UHFFFAOYSA-N 348.380 1.335 0 40 EDAB CN1CCN(C(=O)NCC(=O)N2CCCCC2)Cc2ccccc21 69280241 CUDYXXSMLVBOCJ-UHFFFAOYSA-N 330.432 1.661 0 40 EDAB Cc1cc2n(n1)C[C@@H](CN[C@H](C(=O)NC1CCCC1)C(C)C)CN2 69371273 DMMLMOSRPJZKKV-PBHICJAKSA-N 333.480 1.906 0 40 EDAB Nc1nc(CSc2nnnn2C2CC2)nc(Nc2ccccc2)n1 8394052 WNXYFDJQGXZBIF-UHFFFAOYSA-N 341.404 1.811 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2cccn2C)NC(=O)N[C@@H]1CC 8323988 IHCCRITXHFGJLJ-SNVBAGLBSA-N 335.360 1.091 0 40 EDAB C[C@H]1CN(C(=O)CCC(=O)N2CCOc3ccccc32)[C@@H](C)CO1 69490679 PAYPWENMDQQRRP-KBPBESRZSA-N 332.400 1.828 0 40 EDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 69493073 GSIPDRWPTFDSRW-ZACQAIPSSA-N 333.476 1.720 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(C(=O)Cc2cn3cccc(C)c3n2)C1 69433754 WHPHQPHCNPAHJM-CQSZACIVSA-N 344.415 1.922 0 40 EDAB CC(C)[C@H](C(=O)N1CCN(Cc2ccncc2)CC1)N1CCCC1=O 69584525 ZCGLSZFQBUHZPN-GOSISDBHSA-N 344.459 1.373 0 40 EDAB O=C(CN1CCN(CCO)CC1)N[C@H](c1ccccc1)C1CCCC1 69772027 DCSBBMBMSSPPPY-HXUWFJFHSA-N 345.487 1.644 0 40 EDAB Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@@H](C)C(=O)N(C)C)c1 69740188 HQUOMPWEVVHERL-RDJZCZTQSA-N 331.460 1.942 0 40 EDAB Cc1ccc(OC[C@@H](C)NC[C@H]2CNc3c(C(N)=O)cnn3C2)cc1 69707464 HWVJNFNVEMDGTO-KGLIPLIRSA-N 343.431 1.389 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2F)CC1 69817829 SXXYHYXHNFZPCX-UHFFFAOYSA-N 349.815 1.978 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cnc(-c3cnccn3)s2)CC1 69814048 HCDFELSHLWAGDH-LBPRGKRZSA-N 347.444 1.129 0 40 EDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)[C@@H](C)n1cncn1 69900574 IVEGHJRVMBHJOL-SCRDCRAPSA-N 333.392 1.391 0 40 EDAB Cn1cc(S(=O)(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)cn1 69971090 NDJKMRWYHXFODQ-UHFFFAOYSA-N 347.356 1.105 0 40 EDAB COC(=O)CN(C(=O)[C@H](C)n1nc(C)cc1C)c1cccc(F)n1 84101676 LSVLSJLMMAWUCK-LBPRGKRZSA-N 334.351 1.801 0 40 EDAB CCN1CCN(c2cc(CNc3ccnc(C(N)=O)c3)ccn2)CC1 97095845 ZTUACQZNSYCWOK-UHFFFAOYSA-N 340.431 1.330 0 40 EDAB COc1cncc(N2CCN(Cc3cn(C)nc3C(C)(C)C)CC2)n1 97033960 FDXVDCZTIUEEJQ-UHFFFAOYSA-N 344.463 1.838 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCN([C@H]2CCC[C@H]2O)CC1 72268919 QMBKXVNJXWUULS-LSDHHAIUSA-N 332.400 1.129 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cccn2Cc2cccnc2)CC1 72268878 ZFVQLWMQKCPHFQ-KRWDZBQOSA-N 342.443 1.460 0 40 EDAB CCN(CC(C)(C)O)c1ncnc2c1c(Br)nn2C 72284385 IKZAAEQLTOITOK-UHFFFAOYSA-N 328.214 1.723 0 40 EDAB Cc1cc(S(=O)(=O)N(C)c2c(F)cccc2C(N)=O)c(C)o1 97114028 HZKXBVQSKCLLJC-UHFFFAOYSA-N 326.349 1.960 0 40 EDAB O=c1cc(CN2CCO[C@H](c3nccs3)C2)nc2sccn12 97203890 BDIVFSPUVTZVNC-NSHDSACASA-N 334.426 1.786 0 40 EDAB O=C(NCCc1cccs1)N1CCN(C[C@H]2COCCO2)CC1 84442220 UZMVGPYADOOZOY-AWEZNQCLSA-N 339.461 1.033 0 40 EDAB O=C(Cc1csc(NC(=O)c2ncccn2)n1)Nc1cccnc1 61969161 ABOBQMUMZZMBJE-UHFFFAOYSA-N 340.368 1.762 0 40 EDAB CC(=O)N1CCC(NC(=O)CN2C[C@H](C)Oc3cc(F)ccc32)CC1 75147563 IEANNCNUOZQAPM-LBPRGKRZSA-N 349.406 1.540 0 40 EDAB Cc1noc(C2CCN(C(=O)c3ccc(-n4ccnn4)cc3)CC2)n1 89769549 LIRPINYHAHGQRZ-UHFFFAOYSA-N 338.371 1.979 0 40 EDAB O=C(NCCc1ccccn1)[C@H]1COCC(=O)N1Cc1ccccc1 89834809 VUVATVYCYBVWMY-QGZVFWFLSA-N 339.395 1.168 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)CC1 75602666 VDLWKQICQAFXFD-INIZCTEOSA-N 333.436 1.317 0 40 EDAB O=C(N1CCCC1)N1CC2(C[C@@H](CCOc3cnccn3)CCO2)C1 306135960 PFEMCNZASNKHTM-HNNXBMFYSA-N 346.431 1.942 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NC[C@@H](C)Cn1cc(Cl)cn1 36615100 JRAJNLLOUCUPAZ-SECBINFHSA-N 331.829 1.193 0 40 EDAB O=S(=O)(NCc1nccc(N2CCCCC2)n1)c1ccccc1 211095761 MYTUMYRWDGKLTC-UHFFFAOYSA-N 332.429 1.945 0 40 EDAB O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2ccon2)CC1 77247158 REZXKVJOSRABAI-UHFFFAOYSA-N 341.820 1.835 0 40 EDAB CN(C)CCn1cc(NC(=O)N2CCC[C@@H](c3ccn(C)n3)C2)cn1 1548453322 FVOUQTWCCPVSPK-CQSZACIVSA-N 345.451 1.590 0 40 EDAB COC(=O)c1oc(Cn2nnn(-c3ccccc3Cl)c2=O)cc1C 31609749 IQXZBFOAJYSGSY-UHFFFAOYSA-N 348.746 1.819 0 40 EDAB O=C(CN1CCN(C(=S)Nc2ccccc2)CC1)[C@@H]1CCCN1 35191188 CWTYEUAWUBGAGR-HNNXBMFYSA-N 332.473 1.322 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@](O)(c1ccccc1)C1CC1 70967611 KHNAVUGJQNADHI-INIZCTEOSA-N 336.413 1.868 0 40 EDAB c1ccc2c(c1)C[C@@H](CNCc1cnc(N3CCOCC3)nc1)O2 48263136 MZOLTPGUOKGGEB-INIZCTEOSA-N 326.400 1.407 0 40 EDAB Cc1nnc2c(N3CCN(C(=O)/C=C/c4ccco4)CC3)nccn12 225798591 IZRUXZMHZADCPU-SNAWJCMRSA-N 338.371 1.388 0 40 EDAB Cc1ccc(CN2C[C@H]3CN(Cc4ncc[nH]4)CCN3C2=O)cc1 85436241 AHZGSKOXZNZNQO-MRXNPFEDSA-N 325.416 1.840 0 40 EDAB biogenic,in-vitro Cc1nnc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)s1 83955866 ZLRHBTSLDXCZDH-UHFFFAOYSA-N 335.414 1.892 0 40 EDAB Cc1cc(C)cc([C@H](NS(=O)(=O)[C@H]2CCO[C@@H]2C)C(=O)O)c1 575293600 HPXYLKXZWWRDQU-XBFCOCLRSA-N 327.402 1.526 0 40 EDAB CC(=O)c1ccccc1NC(=O)CN1CCN(c2cnccn2)CC1 141875600 WMMKITKFESBKKI-UHFFFAOYSA-N 339.399 1.440 0 40 EDAB CCn1nc(C)c(NC(=O)COc2ccc(OC)cc2)c1C(N)=O 96182111 FAJJMXCNPRWUIH-UHFFFAOYSA-N 332.360 1.336 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](CO)c2ccccn2)c1 585087831 VPCKYNLGQUBDOE-CXAGYDPISA-N 328.368 1.901 0 40 EDAB C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(Cc1ccoc1)CC2 96070266 AOEIGPLBILGUBZ-CQSZACIVSA-N 344.415 1.800 0 40 EDAB CC/C=C(\C)C(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 98009470 NOODNGMRJATQMB-IZZDOVSWSA-N 339.417 1.006 0 40 EDAB c1ccc(CN2CCOC[C@@]3(CC[C@H](CN4CCCC4)O3)C2)nc1 96052342 SNDXCMOLZYGYGD-RTBURBONSA-N 331.460 1.927 0 40 EDAB Cn1cccc1CN1C[C@@H](C(=O)N2CC=CC2)C2(CCOCC2)C1 96038487 YIRGTZBWBDKQTH-KRWDZBQOSA-N 329.444 1.652 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H]1CCN(CC2CC2)C1 96440567 WZFRCBXVXHEUES-BLLLJJGKSA-N 333.480 1.751 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)C1CC=CC1)C2 96039567 RDAGUBQWWHPTKJ-PKOBYXMFSA-N 336.476 1.929 0 40 EDAB O=C(c1ccccn1)N1CCC[C@]2(CCCN2S(=O)(=O)C2CC2)C1 96214511 MJSOFMRWYUYKKN-KRWDZBQOSA-N 349.456 1.644 0 40 EDAB COCC(=O)N1CCC[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 96224391 NDKJAGWIZXJQNG-MRXNPFEDSA-N 337.445 1.439 0 40 EDAB O=C1c2sc(Cl)cc2S(=O)(=O)N1CCCC1OCCO1 96190570 XONCEHAMRMVSGR-UHFFFAOYSA-N 337.806 1.699 0 40 EDAB O=C(N[C@@H](CO)C(=O)N1CCc2ccccc21)OCc1ccccc1 585121832 BKHBKXGYZUDWJQ-INIZCTEOSA-N 340.379 1.863 0 40 EDAB CC[C@@H](CO)NC(=O)Nc1cccc(N2CCN(C(C)=O)C2=O)c1C 585119444 HWGVANSSZNYLKS-ZDUSSCGKSA-N 348.403 1.676 0 40 EDAB C[C@H](CC(=O)N1CCO[C@H](Cn2ccnn2)C1)Cc1cccc(F)c1 585128349 YZKRPOAHINCOKK-YOEHRIQHSA-N 346.406 1.914 0 40 EDAB Cc1nc(/C=C/c2cn(C)c(=O)n(C)c2=O)sc1Br 585138452 ROQUGAVHQNFFKC-SNAWJCMRSA-N 342.218 1.782 0 40 EDAB COc1cc(N2CCN(C(=O)c3cc(C(C)(C)C)on3)CC2)ncn1 332403255 AHSKSDJSXLPJIL-UHFFFAOYSA-N 345.403 1.733 0 40 EDAB O=C(NCC1CC1)[C@H]1CN(C(=O)c2ccco2)CC12CCOCC2 96052143 BKSAPRIKCUFQNZ-CQSZACIVSA-N 332.400 1.675 0 40 EDAB Cc1ccc(C(=O)N2CCN3C[C@H](Oc4cccnc4)C[C@H]3C2)cn1 96183354 FZNXFVGZJAHZJM-FUHWJXTLSA-N 338.411 1.763 0 40 EDAB CC(=O)N1CCN(c2cc(Nc3cc(C)ccn3)nc(C)n2)CC1 90607930 XRRZKIXFPNOYKT-UHFFFAOYSA-N 326.404 1.901 0 40 EDAB O=C1CCCN1C[C@@H]1CN(C(=O)C2CC=CC2)Cc2nccn2C1 96066991 XIRMFVYGJHQJNI-CQSZACIVSA-N 328.416 1.430 0 40 EDAB Cc1nnc(-c2ccc(C(=O)NC[C@H](C)N3CCOC[C@H]3C)cc2)[nH]1 245339068 QGTHMQDGGSWMHI-QWHCGFSZSA-N 343.431 1.619 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@@]2(CCCN(c3ncccn3)C2)C1 248048176 MXHPKMQAXHPQKN-PBHICJAKSA-N 326.404 1.531 0 40 EDAB CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)Cc1cccs1 257317358 VJLJRAJUDWDWGU-MRXNPFEDSA-N 332.429 1.180 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2F)CCN(C(C)=O)C1 257270096 MSTBJISUJHXZGU-CYBMUJFWSA-N 341.814 1.505 0 40 EDAB Cc1ncsc1C(=O)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257219864 DINYFKYBEPCCLP-KBPBESRZSA-N 343.408 1.708 0 40 EDAB CCc1nn(C)cc1CNC(=O)[C@]1(N)CCc2c(OC)cccc21 1615616580 VIALXLNRPYRNCF-SFHVURJKSA-N 328.416 1.408 0 40 EDAB COC(=O)N1CCc2ccc(NC(=O)c3cccn(C)c3=O)cc2C1 96096249 WTUNGSZJWHTYFO-UHFFFAOYSA-N 341.367 1.762 0 40 EDAB O=C(NCCN1C(=O)c2cccnc2C1=O)c1ccc(Cl)s1 390829744 GHBJQLLIARZDJD-UHFFFAOYSA-N 335.772 1.823 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)C3CC(F)C3)C[C@@H]21)c1cccnc1 575406382 XJQNJYWLEKNGEG-JREQNMATSA-N 347.390 1.033 0 40 EDAB C/C=C/C=C/C(=O)O[C@@H]1CCC=C[C@H](O)[C@@H](O)[C@H](CCC)OC1=O 585660636 TXPRZPDVUZCNLB-QIFNAHCPSA-N 338.400 1.814 0 40 EDAB biogenic,in-vitro CNC(=O)CC[C@]1(OC)CCCN(C(=O)c2cccc(OC)c2)C1 585279345 YGGIFLLEDZUENK-GOSISDBHSA-N 334.416 1.843 0 40 EDAB COC[C@@H](Cc1ccccc1)NCc1nc(Br)nn1C 585137388 WNLFHTKRDHEKFU-GFCCVEGCSA-N 339.237 1.925 0 40 EDAB Cc1nc(O)cc(C(=O)N2CC[C@@](O)(COc3ccccc3C)C2)n1 585277375 SYRNQGFQNPGVFP-SFHVURJKSA-N 343.383 1.455 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)Cc2ccsc2)Cc2cccn2C1 585099100 LZJJWYPMVWAQGF-CQSZACIVSA-N 331.441 1.887 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@H]1C 585096280 FKAWGASJLNFMKQ-BZPMIXESSA-N 342.399 1.965 0 40 EDAB O=C(CCn1ccnc1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585278050 PPXFFAWMBPINCI-SFHVURJKSA-N 329.400 1.106 0 40 EDAB CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCOc2ccccc21 65417507 DBPSHYDNJNBFPW-ZIAGYGMSSA-N 340.445 1.590 0 40 EDAB CCO[C@@H]1C[C@](O)(CNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)CN3C2)C1(C)C 1548691142 KSCNBOHWSWQFSA-MEXWJNSZSA-N 338.492 1.789 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1776001885 PVJPYNYONZRPJA-QGZVFWFLSA-N 341.411 1.814 0 40 EDAB O=C1[C@H](C(=O)N2CCO[C@@H]3CCC[C@@H]32)CCN1c1ccc(F)cc1 56198488 NBXHJOGZAVEPBV-OWCLPIDISA-N 332.375 1.959 0 40 EDAB O=C(NCCCN1CCCCCC1=O)c1cn(-c2ccccc2)nn1 40506353 LBDJAQNWSKZOON-UHFFFAOYSA-N 341.415 1.790 0 40 EDAB O=C(Cc1ccc(Cl)cc1)N1CCN(c2ncc(F)cn2)C(=O)C1 1565522390 HEKIKCSKGCNTKG-UHFFFAOYSA-N 348.765 1.687 0 40 EDAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NCc1ccccn1 57421903 ILENUMCJIAMIPS-AWEZNQCLSA-N 340.449 1.085 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N(C)Cc3cnn(C)c3C)ccc21 548396501 DPCAGGLQALFFPI-UHFFFAOYSA-N 326.400 1.910 0 40 EDAB O=C(O)[C@@H](CNC(=O)N1CCOCC1)Cc1ccccc1Cl 548537618 FBBJTYFSADWSHT-GFCCVEGCSA-N 326.780 1.625 0 40 EDAB O=S(=O)(/C=C/c1ccccc1)N[C@H]1CCN(C2CCOCC2)C1 1253083206 LENOAYZFPLWBTF-WQMJKPAKSA-N 336.457 1.830 0 40 EDAB Cc1cccc(N2CN=c3s/c(=C\c4cccnc4)c(=O)n3C2)c1 522366 HQXDNFKNXCNIAR-SXGWCWSVSA-N 336.420 1.497 0 40 EDAB CC(C)CN[C@H]1CO[C@@H]2[C@@H](Nc3nccc(C(C)(C)C)n3)CO[C@H]12 5433910 PYGDSRBTCQQRGL-WMHQRMGPSA-N 334.464 1.966 0 40 EDAB biogenic,in-vitro NS(=O)(=O)c1ccc(NC(=O)CN2CCCCCCC2)cc1 5938134 MFUNUHVBMVKHRS-UHFFFAOYSA-N 325.434 1.539 0 40 EDAB COc1cccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)c1 12113424 LCKPXXQHNFRCLU-CZUORRHYSA-N 343.383 1.324 0 40 EDAB Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H]3C[C@@H]3c3ccccc3)ccc21 12241730 KFJMFRSLEZKSAO-ZIAGYGMSSA-N 344.392 1.966 0 40 EDAB Cc1nc(O)c2nnn(C[C@H]3CCCN3C(=O)c3ccco3)c2n1 12337177 PMQXPIKGDAYBDQ-SNVBAGLBSA-N 328.332 1.133 0 40 EDAB COc1cc(OC)c2c(C)c(CC(=O)NC(C)(C)CO)c(=O)oc2c1 12897628 ZXZMYBBRKJAMEG-UHFFFAOYSA-N 349.383 1.548 0 40 EDAB biogenic CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5O)N3[C@@H]1O 14880007 CJDRUOGAGYHKKD-HLIPEDHHSA-N 326.440 1.555 0 40 EDAB biogenic,world COc1cc(NC(=O)c2cccc(-n3cnnn3)c2)cc(OC)c1 15075705 LKAMTKOKOANUPP-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N1CCCCCC1 16363218 HFOIBVDFCSAXRY-UHFFFAOYSA-N 341.458 1.938 0 40 EDAB Cc1ccc(CN2CCc3nc(N4CCOCC4)[nH]c(=O)c3C2)cc1 19210359 ASPPRMSKOPABNM-UHFFFAOYSA-N 340.427 1.473 0 40 EDAB CCc1nc2ccccc2c2nn(CC(=O)N(CC)CC)c(=O)n12 19523247 QGDNDXSRBONRNM-UHFFFAOYSA-N 327.388 1.475 0 40 EDAB O=C1[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 169616799 DAWJZTJNMMPJLJ-OXIQGZBJSA-N 339.269 1.511 0 40 EDAB COC(=O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)ccc1Cl 169617864 FCBUFYFFWZMHFV-NEULZYRMSA-N 347.754 1.960 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCC1CCN([C@@H]2CCOC2)CC1 575606586 KPNIHJVKPJYDSL-CQSZACIVSA-N 343.449 1.071 0 40 EDAB COc1cc(CN[C@@H](C)[C@@H]2CCCO2)cc(Cl)c1OCC(N)=O 30908464 HSGMVLUDZOHUHK-GWCFXTLKSA-N 342.823 1.870 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)CNc1ccc2c(c1)OC(F)(F)O2 21700281 JGIPSCCTFILESS-UHFFFAOYSA-N 341.314 1.157 0 40 EDAB COc1cc(/C=C/C(=O)NCC(=O)NC(C)C)cc(OC)c1OC 15035024 CEPUJZBSIRGPOC-VOTSOKGWSA-N 336.388 1.366 0 40 EDAB O=C(NCc1ccccc1)NC[C@H]([C@H]1CCOC1)N1CCOCC1 24987084 FJAGZZSSEBGGNO-DLBZAZTESA-N 333.432 1.223 0 40 EDAB O=C1CCC2(CCN(Cc3cn[nH]c3)CC2)N1Cc1ccncc1 1203093362 GLHYQPQDVZCBEO-UHFFFAOYSA-N 325.416 1.962 0 40 EDAB O=C(Nc1ccccc1)[C@H]1CN(C(=O)C2(F)CC2)Cc2ncnn2C1 1614927355 KTYUHNKDBAAZES-LBPRGKRZSA-N 343.362 1.377 0 40 EDAB CCn1cnc2c(N3C[C@@H]4CN(C(=O)C(C)(C)C)C[C@H]4C3)ncnc21 2086939602 VRMHLJJOMTWGBH-CHWSQXEVSA-N 342.447 1.787 0 40 EDAB O=C(NC1CC2(CCN(C(=O)c3cc[nH]n3)C2)C1)c1cscn1 1565544801 ROFZKTYJVAHRET-UHFFFAOYSA-N 331.401 1.291 0 40 EDAB CC(C)n1c(Oc2ccc(F)cc2)nc2c(=O)n(C)c(=O)n(C)c21 92006 JEOZYCPFSRQUMD-UHFFFAOYSA-N 332.335 1.946 0 40 EDAB COc1cccc(N2C[C@@H](NC(=O)NC[C@@H]3CCCO3)CC2=O)c1 4373317 CLAIUQZNNDUMQZ-WFASDCNBSA-N 333.388 1.279 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2nnnn2C2CCCCC2)cc1 10594642 PAGMQVWPBLYUEY-UHFFFAOYSA-N 335.433 1.965 0 40 EDAB NC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O 22768016 SDKBYZVBSVUCNY-UHFFFAOYSA-N 327.319 1.084 0 40 EDAB CS(=O)(=O)N1CCCc2ccc(NC(=O)c3cnccn3)cc21 38677406 PLJYDKHXZPTLHB-UHFFFAOYSA-N 332.385 1.441 0 40 EDAB O=C(c1nc(-c2cnccn2)no1)N1CCN(c2ccccc2)CC1 44121614 GYDMQGVYKSCYOJ-UHFFFAOYSA-N 336.355 1.489 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](Oc2ccncn2)C1 575611516 ZIGJAKNZPADSHW-CYBMUJFWSA-N 349.412 1.636 0 40 EDAB O=C1CCCN1c1cncc(CNS(=O)(=O)c2cccs2)c1 575618240 FXZMSLFFEUONJL-UHFFFAOYSA-N 337.426 1.748 0 40 EDAB Cc1cc(OC2CN(C(=O)/C=C/c3ccco3)C2)n2ncnc2n1 618255563 FKUDSZLJAVJIPZ-SNAWJCMRSA-N 325.328 1.329 0 40 EDAB C[C@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1cccs1 75155928 IWVXXEWFEKALDT-INIZCTEOSA-N 336.388 1.527 0 40 EDAB CC(=O)Nc1ccc(CNC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 30665728 HRYYMEINVCLAHW-HKUYNNGSSA-N 347.459 1.472 0 40 EDAB COCCCNC(=O)c1cn(-c2ccccc2Br)nn1 40510357 UCMGVXXCFCTZAV-UHFFFAOYSA-N 339.193 1.796 0 40 EDAB O=C(CCC(F)(F)F)NCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101572407 CNIZWAQMPFSBCT-YRRQLQLVSA-N 344.333 1.642 0 40 EDAB O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)N1CCCN(C(=O)C2CC2)CC1 102312761 LSSGVKUINDNFSE-OKZBNKHCSA-N 339.439 1.979 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(O)c1)n2CCOC 32833192 AKSOGTWXWVXVAT-UHFFFAOYSA-N 344.371 1.315 0 40 EDAB CC1(C)Cc2cccc(OCCNc3ccc4nnnn4n3)c2O1 32825092 IDJOYOKDWFBFED-UHFFFAOYSA-N 326.360 1.724 0 40 EDAB Cc1ccc(F)cc1NC(=O)Cn1c(C)cc(C)c(C(N)=O)c1=O 32859747 CZBNUKNUIHQADX-UHFFFAOYSA-N 331.347 1.650 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(CCOc2ccc(Cl)cc2)C1 52669434 LPPXQJZULBKWTF-CYBMUJFWSA-N 332.853 1.732 0 40 EDAB O=S1(=O)CC[C@@H](NCc2ccc(OCc3cccnc3)cc2)C1 42186727 AYONTOIGCVKVRW-MRXNPFEDSA-N 332.425 1.937 0 40 EDAB COc1cccc(CCC(=O)NS(=O)(=O)c2c(C)noc2C)c1 42290847 XURJCFNFVHPUML-UHFFFAOYSA-N 338.385 1.738 0 40 EDAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2)n2nnnc2N1 65638 BVBHJMHQNMQWFY-OAHLLOKOSA-N 333.355 1.996 0 40 EDAB COC(=O)c1c(NC(C)=O)sc(C(=O)N2CCOCC2)c1C 350810 TZDXOQKUOOPBDC-UHFFFAOYSA-N 326.374 1.274 0 40 EDAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 24095482 YHAPDEFRKKOCKZ-PVAVHDDUSA-N 343.379 1.580 0 40 EDAB O=C1CCC(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)=NN1 4334019 NHTGIXHCURGINF-UHFFFAOYSA-N 334.719 1.699 0 40 EDAB Cc1c(Nc2nc3nonc3nc2N)c(=O)n(-c2ccccc2)n1C 1277472 DKLQHSYYJYFFPQ-UHFFFAOYSA-N 338.331 1.136 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccn2)cc1 12534499 RZQOQHJLZVIROB-LLVKDONJSA-N 347.396 1.590 0 40 EDAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CC(=O)n1nnc2ccccc21 101530944 OCDCWSPHXVTQDJ-FZTCLAKQSA-N 348.362 1.125 0 40 EDAB CCOC(=O)c1cnn2c(N)c(C(=O)Nc3ccccc3C)nnc12 1408883 MKQVZQJFRSDQIJ-UHFFFAOYSA-N 340.343 1.444 0 40 EDAB CCc1n[nH]c([C@H]2CN([C@H](C)C(=O)NCc3cccs3)CCO2)n1 107354446 UBOIRSBHJVMRNA-DGCLKSJQSA-N 349.460 1.507 0 40 EDAB Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc2n1 26713638 NIPFSQJRSYZSKR-UHFFFAOYSA-N 334.445 1.472 0 40 EDAB CN1CCc2nc(NC(=O)CNC(=O)c3cccs3)sc2C1 23608864 BGDCDGBHZOYJLU-UHFFFAOYSA-N 336.442 1.561 0 40 EDAB CCc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H]2C(N)=O)n1 58158035 GPXVQIXJUWYJBG-CYBMUJFWSA-N 341.419 1.210 0 40 EDAB CS(=O)(=O)N1CC[C@@H](F)[C@@]2(CCN(Cc3ccncc3)C2)C1 107244607 BAVQRHNBYMQSQU-HUUCEWRRSA-N 327.425 1.277 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)NCCCOC2CCCCC2)CC1 44967136 PZMDINJUFLLYJS-UHFFFAOYSA-N 347.481 1.013 0 40 EDAB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)N1CCC(CC(N)=O)CC1 44953995 OOWQIUGSOCYCCZ-OLZOCXBDSA-N 335.452 1.769 0 40 EDAB CCN1C[C@@H](CN(C)CCC(=O)NC(=O)NC)Oc2ccccc21 44907444 CFSWGHGXMABMPP-CYBMUJFWSA-N 334.420 1.051 0 40 EDAB O=C(NCc1ccnc(N2CCCC2)c1)NCc1nnc2n1CCC2 44953131 FFTONOXELOXZQQ-UHFFFAOYSA-N 341.419 1.219 0 40 EDAB C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H](C)O1 23640584 YBYHGWOHSNWGTN-STQMWFEESA-N 331.416 1.627 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F 109933159 UTDFPZBIMLAGFF-IHRRRGAJSA-N 342.392 1.324 0 40 EDAB O=C(CNc1ccc(-n2cncn2)cc1)NC[C@@H]1Cc2ccccc2O1 95417950 QKFBDBSEIRSOQK-KRWDZBQOSA-N 349.394 1.799 0 40 EDAB CCOC(=O)Nc1cccc(C(=O)O[C@H]2CCS(=O)(=O)C2)c1 95469923 FHGBUATUHRABMU-LBPRGKRZSA-N 327.358 1.599 0 40 EDAB O=C(C1=NO[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12)c1ccccc1 100354744 KWDINHNINGTWLA-CZUORRHYSA-N 338.294 1.953 0 40 EDAB COc1cc(OC)nc(NC(=O)CN2c3ccccc3C[C@@H]2C)n1 10519823 YROQWLWZUMSKKT-NSHDSACASA-N 328.372 1.884 0 40 EDAB O=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)NC1CC1 36383680 ILIBITJQFIMJEJ-UHFFFAOYSA-N 336.823 1.768 0 40 EDAB CN(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 11115338 FHLGWAZDZQHWRI-UHFFFAOYSA-N 340.427 1.914 0 40 EDAB CCO[C@H]1C[C@@H](NC2CCN(S(C)(=O)=O)CC2)C12CCCC2 95400090 QLUKHVKZZLAMTA-CABCVRRESA-N 330.494 1.738 0 40 EDAB O=C(C1CCCC1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 29224924 PKERDCSAHWZPDX-UHFFFAOYSA-N 340.427 1.529 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)/C=C/c2ccccc2Cl)C1 29206934 DXUXVXVVODTGLO-XEHSLEBBSA-N 342.848 1.893 0 40 EDAB Cc1nc(CCNC(=O)C[C@@H](NC(N)=O)c2ccccc2)cs1 29613438 SMMDCSKSTRZIFV-CQSZACIVSA-N 332.429 1.910 0 40 EDAB C[C@H]1CN(C(=O)Cn2cnc3c(oc4ccccc43)c2=O)CCO1 29878356 GXVNANUAFHEGLA-NSHDSACASA-N 327.340 1.390 0 40 EDAB Cc1ncc(CN2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)cn1 108526737 PKXHTBVBAKRYNM-UHFFFAOYSA-N 336.461 1.221 0 40 EDAB COc1ccc([C@H]2c3c(C)nnc(O)c3Nc3nnnn32)c(OC)c1 10298523 CARGZQVRZJCWCH-ZDUSSCGKSA-N 341.331 1.189 0 40 EDAB O=C(NCC[C@@H]1CCOC12CN(C(=O)C1CCC1)C2)c1cccnc1 306124442 BPRUOIAFMGZDFV-MRXNPFEDSA-N 343.427 1.619 0 40 EDAB CC(C)N1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2)CC1 13198098 WVLNJYFELPANBK-UHFFFAOYSA-N 326.418 1.536 0 40 EDAB COc1ccc(CN2CC(=O)N3Cc4ccccc4C[C@@H]3C2=O)cc1 4037424 UQPPNUFUEABPML-GOSISDBHSA-N 336.391 1.991 0 40 EDAB biogenic C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(c3ccccn3)CC1)CS2 49934833 MIOBTANBGLLLPO-DYVFJYSZSA-N 346.456 1.184 0 40 EDAB Cc1ncc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)s1 65403913 YEYQVXPEUUSNID-UHFFFAOYSA-N 344.484 1.999 0 40 EDAB CN1CCN(C[C@H]2CCCN(C(=O)NCCc3ccccc3)C2)CC1 65540013 QBNQEPQBJKSMTA-LJQANCHMSA-N 344.503 1.898 0 40 EDAB CC(=O)[C@H]1CC(C(=O)N[C@@H](C)Cn2ccnc2)=NN1c1ccccc1 65587731 AKXPKACUGQLMPH-SUMWQHHRSA-N 339.399 1.612 0 40 EDAB CCOc1ncccc1CNC(=O)NCc1ccc(C(=O)NC)cc1 65607848 DSYRMLIZIAEFTB-UHFFFAOYSA-N 342.399 1.839 0 40 EDAB COCCNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5439342 JGTHCOOGUVJRAL-UHFFFAOYSA-N 346.836 1.646 0 40 EDAB CS(=O)(=O)CCCC(=O)N1CCN(c2ccccc2F)CC1 71552602 AWWDHXGWVMIIQE-UHFFFAOYSA-N 328.409 1.299 0 40 EDAB COc1ccc([C@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)c(OC)c1 9348119 XYBASQVJTHRIFZ-SNVBAGLBSA-N 347.396 1.983 0 40 EDAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 7052264 ZNFNOMSQNZXTTO-UHFFFAOYSA-N 346.817 1.788 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CCc3nc(C)cn3C2)c(C)c1 90168048 QIUKWOJCJKRTAT-CYBMUJFWSA-N 335.429 1.802 0 40 EDAB Fc1cccnc1N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 90144734 IXVYFLADMVUFQC-UHFFFAOYSA-N 339.378 1.862 0 40 EDAB Cc1ccccc1N1C[C@@H](C(=O)NCCCn2ccnc2)CC1=O 7343789 LSKJLRLBAVJVDN-HNNXBMFYSA-N 326.400 1.751 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCN(C(=O)c2ccco2)CC1 7737952 OCNPWCSAAIKYKB-UHFFFAOYSA-N 336.351 1.821 0 40 EDAB Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1C[C@H]1CCCO1 7778563 AJMXBPKWJHLTBY-CQSZACIVSA-N 349.383 1.898 0 40 EDAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCc1nc(C(C)C)no1 83716484 OHMWCYLGGOOZEX-LBPRGKRZSA-N 347.423 1.860 0 40 EDAB Cc1ncc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)s1 68975622 SSPSMZHYCATLRP-CQSZACIVSA-N 327.475 1.389 0 40 EDAB NC(=O)[C@H]1CCN(CCCS(=O)(=O)c2ccc(Cl)cc2)C1 71833190 NGHMCELPPADBBM-NSHDSACASA-N 330.837 1.311 0 40 EDAB Cc1nnc(NC(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)s1 71802086 OVUNYWCUMPDLJT-UHFFFAOYSA-N 346.416 1.610 0 40 EDAB C[C@@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1ccccn1 69487386 WWXJNRWGCILFEF-CHWSQXEVSA-N 340.449 1.256 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)NCCc3cccs3)CCO2)c1 69486345 KIMIARNJQVNXIP-HNNXBMFYSA-N 348.472 1.313 0 40 EDAB CCc1noc([C@H](C)N2CCN(c3ncnc4[nH]ccc34)CC2)n1 69418296 AEEHJWWACJYUCV-NSHDSACASA-N 327.392 1.787 0 40 EDAB CC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 69491414 XTECAWNYCLYQHV-CQSZACIVSA-N 348.424 1.988 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)N(C)Cc2cccc(F)c2)C[C@H]1C 71864166 NRCIFQNQLYLAOP-HUUCEWRRSA-N 337.439 1.171 0 40 EDAB C[C@H](C(=O)N(C)C)S(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 69582096 RLPURIOGLGXJCX-LLVKDONJSA-N 339.392 1.403 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(N(C)C)nc2)c1 69581728 PNDSAUDOQYNUMK-UHFFFAOYSA-N 335.385 1.735 0 40 EDAB O=C(c1ccccc1N1CCOCC1)N1CCN(CC(F)F)CC1 69530092 LJRFYQVRALTBKW-UHFFFAOYSA-N 339.386 1.546 0 40 EDAB Cc1cc(CN2CCn3cc(CC(=O)NC(C)C)nc3[C@@H]2C)n(C)n1 306144635 ZKNSFILBJWUCLW-AWEZNQCLSA-N 344.463 1.569 0 40 EDAB Cc1nnc(SCCOc2ccc(S(N)(=O)=O)cc2)s1 8504915 WLVWGCHUCIMFRA-UHFFFAOYSA-N 331.444 1.665 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3c(c2)[nH]c(=O)n3C)c1 71869909 CQIIBPDBCKJHFY-CQSZACIVSA-N 339.399 1.676 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)NCCC1=CCCCC1 69776824 GOPJDFIAZNLQKC-KRWDZBQOSA-N 331.464 1.997 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N1CCC[C@H](C(=O)N(C)C)C1)C2 69700672 GCLWSGVJBLWPGX-LSDHHAIUSA-N 346.427 1.573 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2ccccc2Cl)C1 69701327 WMYNPKHUYFSZDM-MFKMUULPSA-N 325.796 1.557 0 40 EDAB CC(=O)N1CCC(CN2CCN(C[C@H](O)c3ccccc3)CC2)CC1 69739218 MSFDLLNHXBYFGN-FQEVSTJZSA-N 345.487 1.596 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1 69919052 DDYBCJVTTUSXSJ-GFCCVEGCSA-N 335.835 1.970 0 40 EDAB CCn1c(C)nnc1CN(C)[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1 83836890 RWAUYPWFSOSQEZ-CQSZACIVSA-N 345.451 1.573 0 40 EDAB CN(C)c1cccc(-c2nnc(S[C@H]3CCCCNC3=O)n2N)c1 71914319 PGTYRPPJBZTXAQ-ZDUSSCGKSA-N 346.460 1.486 0 40 EDAB CCc1nn(C)cc1C(=O)Nc1ccccc1-n1ccc(C(N)=O)n1 92458447 HVUNDKIVBIVVQL-UHFFFAOYSA-N 338.371 1.519 0 40 EDAB O=c1c2ccccc2ccn1CCS(=O)(=O)NCc1ccco1 9602341 GAOJXXSQJISMDK-UHFFFAOYSA-N 332.381 1.714 0 40 EDAB Cn1nc(C(=O)N2CCC[C@]3(CC2)CNC(=O)O3)c2c1CCCC2 72172562 CQHIPQGEIVOASV-KRWDZBQOSA-N 332.404 1.404 0 40 EDAB C[C@H](NC(=O)N1CCN(Cc2ccncc2)CC1)C(C)(C)CN(C)C 85425149 RGQNLPYLPWOWDM-INIZCTEOSA-N 347.507 1.885 0 40 EDAB CC(=O)N1CCCN([C@@H]2CN(CCn3nc(C)cc3C)C[C@H]2C)CC1 84104710 YTCBQMAOZHXQDI-DNVCBOLYSA-N 347.507 1.374 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCn3c(nnc3C(C)C)C2)cc1 72279875 UJRNTLJABZAZIF-UHFFFAOYSA-N 341.415 1.694 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1CCc2nc(C)cn2C1 72282653 RRPDPQAGLBWJEW-RDJZCZTQSA-N 338.411 1.600 0 40 EDAB CC(C)NS(=O)(=O)[C@H]1CCN(c2noc(-c3ccccc3)n2)C1 97163383 MQZOSLFFNYBYSY-ZDUSSCGKSA-N 336.417 1.643 0 40 EDAB COCCn1cc(NC(=O)NC[C@H](C)CC2(C)OCCO2)cn1 72305940 WUAHZMKFRBPQRQ-GFCCVEGCSA-N 326.397 1.440 0 40 EDAB O=C1NCCN1C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 84398245 CUOQBDIYLSGBBE-UHFFFAOYSA-N 325.416 1.862 0 40 EDAB Cn1cc(N2CCC[C@H](NC[C@@H]3CCCn4ccnc43)C2=O)cn1 84318616 MGJQWLZASHOUPZ-ZFWWWQNUSA-N 328.420 1.279 0 40 EDAB C[C@H]1CN(C)CCN1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 89938997 LEBXGSAPPFLGKC-IRXDYDNUSA-N 330.476 1.265 0 40 EDAB C[C@@H]1CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C[C@H]1N(C)C 76056038 XPRWTYXRDYXSNV-UXIGCNINSA-N 333.457 1.898 0 40 EDAB CCn1nccc1CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 28219125 KFVIKSWQVFKONK-UHFFFAOYSA-N 339.417 1.741 0 40 EDAB CCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408602529 DNPSPBBCNAQTSV-SNVBAGLBSA-N 348.852 1.932 0 40 EDAB c1ccc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2cccnc2)nc1 306134751 NXFPPBATYARKOB-UXHICEINSA-N 338.455 1.994 0 40 EDAB COc1cncc(CCC(=O)N2C[C@H](NC(=O)C3CC3)C(C)(C)C2)c1 1007768399 DCCKNURUZSSOEQ-INIZCTEOSA-N 345.443 1.786 0 40 EDAB COC(=O)c1cnc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)s1 21898845 PDVIAFCCCIXOKI-SECBINFHSA-N 331.353 1.994 0 40 EDAB O=C1O[C@]2(C[C@H]1n1cnc3ccccc3c1=O)C(=O)Nc1ccccc12 1592498 WXXWBNXZGRMTHR-BEFAXECRSA-N 347.330 1.732 0 40 EDAB biogenic COc1cc(C)ccc1[C@@H]1[C@H]2[C@H](C)NC(=O)N(C)[C@@H]2N=C(O)N1C 33910816 NAWGKDIMLGSLRQ-QOWREQOWSA-N 332.404 1.890 0 40 EDAB O=C1CC[C@H](C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)N1 183475622 JDQPJFRVNUKQBT-OLZOCXBDSA-N 342.317 1.884 0 40 EDAB O=C1CC[C@H](C(=O)OC2=N[C@@H](C(=O)Nc3ccc(Cl)cc3)CC2)N1 72238433 QODABUYWEPGPFS-VXGBXAGGSA-N 349.774 1.661 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)C1(CN)CN 218203698 ABGLCWRBJCVMQR-RYUDHWBXSA-N 347.278 1.253 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC 218460025 WLUYELGZVMMBFV-YCPHGPKFSA-N 325.430 1.404 0 40 EDAB O=C(Cn1ncc2cccn2c1=O)Nc1cccc2nsnc12 72346574 MSDIMALSSYMSHP-UHFFFAOYSA-N 326.341 1.139 0 40 EDAB COCCCNC(=O)C(=O)Nc1ccc(C)cc1Br 42646290 TZYMOMIXLPXMQU-UHFFFAOYSA-N 329.194 1.849 0 40 EDAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCn2nncc2C1 565220574 HCAKLWJLRODNJI-UHFFFAOYSA-N 332.307 1.501 0 40 EDAB S=C(NC[C@H]1CCCO1)N1CCN(C2CCSCC2)CC1 225217785 RZUATOZWRUUZKR-CQSZACIVSA-N 329.535 1.553 0 40 EDAB COC(=O)N1CCc2ccccc2[C@@H]1C(=O)N[C@@H]1CCSC1=O 75165739 FEDLUEWBDMMLPC-CHWSQXEVSA-N 334.397 1.501 0 40 EDAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)n1nnc2ccccc2c1=O 41863899 VZJVKHUIHDSUKW-JTQLQIEISA-N 337.339 1.090 0 40 EDAB CN1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 225971094 DBSPZBBAUKFWKJ-UHFFFAOYSA-N 331.825 1.099 0 40 EDAB O=C(COc1ccccc1F)N1CCN(C[C@@H](O)c2ccco2)CC1 85436754 WZJLBROZWITHDP-OAHLLOKOSA-N 348.374 1.675 0 40 EDAB CC(C)c1nnc(CN2C(=O)N[C@](C)(c3cnn(C)c3)C2=O)s1 530106285 NOVRMLGXGNCFAV-CQSZACIVSA-N 334.405 1.362 0 40 EDAB Cn1cccc1CN(Cc1cccs1)C(=O)CN1C(=O)CCC1=O 49409841 NENQOYGWCZDUMH-UHFFFAOYSA-N 345.424 1.764 0 40 EDAB COC[C@@H](O)CN1CCC(N[C@@H]2CCCNc3ccccc32)CC1 193057000 LAMWRRUQSZALML-QFBILLFUSA-N 333.476 1.995 0 40 EDAB O=C(NCc1ccccc1Cl)c1n[nH]c2c1CS(=O)(=O)CC2 41120947 RELVGWXHPASUML-UHFFFAOYSA-N 339.804 1.464 0 40 EDAB Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cnn(-c3ccncc3)c1)C2 573432910 JFXPHUHNKVLAGZ-OAHLLOKOSA-N 334.383 1.653 0 40 EDAB O=C(/C=C\c1cccs1)NCc1nc(-c2ccc[nH]c2=O)no1 225803478 SFTOELGOEDBKEO-WAYWQWQTSA-N 328.353 1.816 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1 224053611 YPLDQERSYKPDIQ-UHFFFAOYSA-N 328.372 1.787 0 40 EDAB C[C@@H]1CN([C@@H](CNc2nc(C(=O)O)co2)c2cccs2)CCO1 577637666 ABTQNRFLURVWNL-PWSUYJOCSA-N 337.401 2.308 0 40 EDAB O=S(=O)(NCCc1nc(-c2ccccc2)n[nH]1)c1cccnc1 195574193 HGSBQSMHAYNPEJ-UHFFFAOYSA-N 329.385 1.388 0 40 EDAB COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cccc(C)n3)C[C@@H]21 96043430 WJKHRFOHWXJLGK-KZNAEPCWSA-N 347.459 1.380 0 40 EDAB O=C(c1ncccn1)N1C[C@@H]2CN(Cc3ccoc3)CCO[C@@H]2C1 96108209 AGCMFLUNEDJPEU-LSDHHAIUSA-N 328.372 1.043 0 40 EDAB CS(=O)(=O)NCC1CCN(c2ncnc3ccc(F)cc23)CC1 585082715 PUWLZMLDEDKUNW-UHFFFAOYSA-N 338.408 1.535 0 40 EDAB CS(=O)(=O)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099904 DRZVHZZNAQABJQ-UHFFFAOYSA-N 329.472 1.953 0 40 EDAB C[C@H]1CN(S(=O)(=O)N2CCc3ccc(F)cc3[C@@H]2C)CCO1 96428039 SEPIPQLDQGZNOE-RYUDHWBXSA-N 328.409 1.710 0 40 EDAB CCn1ccc(NC(=O)c2cc(C(C)C)nc(N3CCOCC3)n2)n1 96100947 BEGNUYDHQLBWRV-UHFFFAOYSA-N 344.419 1.905 0 40 EDAB Cc1ccc(N2CCO[C@H]3CN(C(=O)c4cccs4)C[C@H]32)nn1 96054417 DRESAKSBGWMFRJ-OLZOCXBDSA-N 330.413 1.576 0 40 EDAB O=C([C@H]1Cc2ccccc2CN1)N1CCC[C@H](N2CCCC2=O)C1 95426506 MABAWODDJZQIMS-DLBZAZTESA-N 327.428 1.314 0 40 EDAB CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Cc2n[nH]c3c2CCCC3)C1 583621210 UYNHUIAIWOVLBB-GJZGRUSLSA-N 346.475 1.543 0 40 EDAB CN(C)C(=O)N1CCC[C@@]2(COCCN(c3ncc(F)cn3)C2)C1 96229212 LDEULTFDFIKAML-INIZCTEOSA-N 337.399 1.216 0 40 EDAB CCn1cc2c(n1)CN(C(=O)c1ccncn1)C[C@H]2COCC1CC1 96045247 RIFIYZCNYVEVIC-AWEZNQCLSA-N 341.415 1.859 0 40 EDAB CCc1nc(CNC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n[nH]1 582109244 GWIQEBDHSVSFIH-GFCCVEGCSA-N 332.383 1.584 0 40 EDAB O=C(c1ccoc1)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 96160352 BWKXEQNHRSHPSN-NVXWUHKLSA-N 331.372 1.567 0 40 EDAB COCCN1CCc2cc(C(=O)N3CCCC3)c(N(C)C)nc2CC1 96260400 RUWIKBNYALGTSM-UHFFFAOYSA-N 346.475 1.431 0 40 EDAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCc1cnn(C)c1 97378836 QTZXZZULMVKTEG-YJBOKZPZSA-N 341.459 1.782 0 40 EDAB O=C(CC1CCCCC1)NCCNC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 249532685 JQQHUABSPNBODN-ONMISFSYSA-N 349.475 1.484 0 40 EDAB N[C@]1(C(=O)O)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242687275 UDJUFVUGHYDEHN-SQWLQELKSA-N 335.356 1.548 0 40 EDAB C[C@H](N[C@@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ncn(C)n1 585117649 PZXBIMMSCSUGBR-RWMBFGLXSA-N 339.440 1.490 0 40 EDAB COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 243500748 NVJCHRUCRRQFQC-UHFFFAOYSA-N 348.424 1.598 0 40 EDAB Cc1ccn(CCC(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)n1 257336332 YNZLWEZBPNQEJT-JFIYKMOQSA-N 344.415 1.454 0 40 EDAB Cn1nc(-c2cnccn2)cc1CNC(=O)NCCc1ccccc1 253472960 QTOGKBILSHGNHA-UHFFFAOYSA-N 336.399 1.919 0 40 EDAB CN(C)C(=O)[C@H]1CN(C(=O)c2cc3cc(F)ccc3n2C)CCN1C 257235419 GXTQXAFKIVKIAB-MRXNPFEDSA-N 346.406 1.162 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCCN1C(=O)c1cscn1 257219238 DGCPXPIBFZAEDO-SNVBAGLBSA-N 340.430 1.637 0 40 EDAB CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 252581875 UIBZIIOLHHCSSS-AGIUHOORSA-N 337.386 1.983 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)n1 257255303 KGZLWUPMTUCUQV-HNNXBMFYSA-N 328.420 1.523 0 40 EDAB CC(=O)N1CCN(C(=O)c2cccc(O)n2)C[C@@H]1c1ccccc1 257238524 HLLDINVFPUOADG-MRXNPFEDSA-N 325.368 1.833 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2cn(C)nc2C)n1 257266377 MCSNOKSLTVXHKZ-CYBMUJFWSA-N 330.392 1.082 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1S(=O)(=O)c1cccnc1 257226347 FKHOZIRGNOTJCE-CQSZACIVSA-N 348.428 1.202 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1CC(=O)N1CCCC1 257316437 VFOSGAHRGYILDE-QGZVFWFLSA-N 345.443 1.523 0 40 EDAB CN(C)C(=O)COc1cccc(C(=O)N2CC3CCC2(CN)CC3)c1 1615054583 UVEVGNIRQXQFSC-UHFFFAOYSA-N 345.443 1.497 0 40 EDAB Cn1nc(C(F)(F)F)cc1CNC(=O)[C@@]12CCCC[C@@H]1NCC2 1615544492 BTLQROCQIPSCNA-SMDDNHRTSA-N 330.354 1.977 0 40 EDAB C[C@@H]1CCC[C@@H](CS(=O)(=O)N2CCC[C@@H](N3CCNC3=O)C2)C1 1615613756 JUNMFIRCEOERKY-RBSFLKMASA-N 343.493 1.632 0 40 EDAB Cn1ncc(CNC(=O)N2CCC[C@@H](c3cncn3C(C)(C)C)C2)n1 1615614077 FHAUJUNMOPWYSP-CYBMUJFWSA-N 345.451 1.856 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)Cn1cnc(-c2ccccn2)c1 1616033019 ZECVOOUYKBQDQS-AWEZNQCLSA-N 330.388 1.649 0 40 EDAB O=C(NCc1cc2n(n1)CCCO2)[C@@H]1CCN(c2ccccc2)C1 566465366 UQZUVLGXFVVUBD-CQSZACIVSA-N 326.400 1.808 0 40 EDAB Cc1nc(C(C)(C)NC(=O)c2cc(S(C)(=O)=O)ccc2C)no1 299619381 IORNVKRDGQLOBF-UHFFFAOYSA-N 337.401 1.755 0 40 EDAB O=C(O)[C@H]1CN(S(=O)(=O)c2ccc3nn[nH]c3c2)c2ccccc21 390834628 JBFBFASUKCYJES-NSHDSACASA-N 344.352 1.335 0 40 EDAB CN1C(=O)C2(CCOCC2)c2cc(NC(=O)c3ccnn3C)ccc21 585106393 ZGFUUSZGNMCQHX-UHFFFAOYSA-N 340.383 1.697 0 40 EDAB CC(C)(C)OC(=O)N1CC(c2nc(N)ncc2Br)C1 585139240 DTHOUJJKYMOPEV-UHFFFAOYSA-N 329.198 2.156 0 40 EDAB O=C(c1ccncc1)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 585275298 CLXYXIAHBXXEDO-GOSISDBHSA-N 330.359 1.667 0 40 EDAB COCCN1CC2(CCN(C(=O)c3cccc(F)c3)CC2)CC1=O 585099749 MSFJKAWHKXWEFD-UHFFFAOYSA-N 334.391 1.927 0 40 EDAB O=C(NCCOc1ccc(F)c(F)c1)N[C@H]1CCCCNC1=O 71882509 KWBINWWGBLMCCT-ZDUSSCGKSA-N 327.331 1.312 0 40 EDAB COc1cccc(CN2CCN(c3cc(N(C)C)ncn3)CC2)c1 894996413 FGSPVEOJHGKQJR-UHFFFAOYSA-N 327.432 1.873 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 47384086 JSCWEYJLZKSPKV-QGZVFWFLSA-N 345.374 1.723 0 40 EDAB CCOC(=O)CN1CCCN(S(=O)(=O)c2cccs2)CC1 60198505 BAGUFIBQOKXEMI-UHFFFAOYSA-N 332.447 1.008 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1ccc3c(c1)nnn3C)C2 75129175 ZCHUXXNJGCDGHX-UHFFFAOYSA-N 337.387 1.389 0 40 EDAB COc1ccccc1OCC(=O)Nc1cccnc1-n1cncn1 58342408 QFOFPWGXUKOYOD-UHFFFAOYSA-N 325.328 1.688 0 40 EDAB Cc1ccc(C(C)(C)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 98010416 ZESKAOIPNFQJAB-MRXNPFEDSA-N 340.427 1.928 0 40 EDAB COc1ccccc1CNC(=O)C(=O)Nc1ccc(OC)c(OC)c1 5251320 KCUGKFPEOZMRLH-UHFFFAOYSA-N 344.367 1.967 0 40 EDAB CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccco2)c2ncccc21 12219867 HOVAPIOGTXRPOO-UHFFFAOYSA-N 328.372 1.754 0 40 EDAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N2C(S)=NC(=O)C(C)(C)N12 17072103 OXPFDZBKXLUFBX-LLVKDONJSA-N 346.412 1.356 0 40 EDAB CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1ccc2c(c1)OCCO2 19371578 ZNFDJDFYHDTIPH-MRXNPFEDSA-N 347.459 1.143 0 40 EDAB CN(C)CCn1ccc(NC(=O)N2CCc3ccccc3[C@@H]2CN)n1 519608800 OZYVMKSVFDBHGB-INIZCTEOSA-N 342.447 1.535 0 40 EDAB Cc1cccc(-n2nnnc2SCC(=O)NC(=O)NC(C)(C)C)c1 2621279 RYDNHXMSCCBRGE-UHFFFAOYSA-N 348.432 1.687 0 40 EDAB NC(=O)[C@@H](c1ccc(F)cc1)N1CC[C@@H](NC(=O)Cc2ccco2)C1 1015882896 ZMUJTRFIUNUBON-RHSMWYFYSA-N 345.374 1.378 0 40 EDAB CCCCc1ccc(-n2nnnc2SCC(=O)NCC(=O)O)cc1 12764592 CGOQLPJZGQAOAL-UHFFFAOYSA-N 349.416 1.298 0 40 EDAB Cc1nc2ccccc2nc1N1CCO[C@@H](C(=O)N2CCCC2)C1 1889131796 FMSVBWCOCLQQTE-MRXNPFEDSA-N 326.400 1.766 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CCO1 24681834 ZPBBFIHXRZTTQT-VXGBXAGGSA-N 332.356 1.016 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(c2ccc(Br)cn2)C1 131392179 JKMCZOFIGMJVHN-JTQLQIEISA-N 334.239 1.362 0 40 EDAB Cc1cc(=O)n2c(n1)CC[C@@]1(CCN(C(=O)CN(C)C(C)C)C1)CC2 1565555119 SMJIAGVFFOIHRS-LJQANCHMSA-N 346.475 1.447 0 40 EDAB CC(C)N(C)CC(=O)N1CCC2(CC1)CC(=O)N(CC1CCC1)C2 1565544933 VGBOKUAEWLNCNF-UHFFFAOYSA-N 335.492 1.968 0 40 EDAB O=C(Cc1ccc(F)cn1)N1C[C@H]2C(=O)N(CC3CC3)CC[C@H]2C1 1565542778 QPZVUUOAVZYADT-XJKSGUPXSA-N 331.391 1.480 0 40 EDAB Cn1c(=O)[nH]c(=O)c2c1nc1scc(CN3CCCCCC3)n12 6668096 AOCCKVHFKBILTE-UHFFFAOYSA-N 333.417 1.312 0 40 EDAB COC(=O)c1ccc2c(=O)n(CCC(=O)NC(C)C)c(=S)[nH]c2c1 12415877 SDMMUNBFLWXWBQ-UHFFFAOYSA-N 349.412 1.760 0 40 EDAB CCC(CC)NC(=O)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055713856 RXMYDOFAMOCVLD-CYBMUJFWSA-N 332.448 1.890 0 40 EDAB O=C(c1cccs1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772907 UTQDILDWYUUNKF-UHFFFAOYSA-N 344.440 1.808 0 40 EDAB COC[C@H]1CN(C(=O)c2ccc(C)o2)Cc2nnn(CC3CC3)c21 2055750646 MHEJFBUVSOHUQP-CYBMUJFWSA-N 330.388 1.976 0 40 EDAB Cc1cncc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086881841 KLWRBRLCKNHMSJ-LBPRGKRZSA-N 326.347 1.248 0 40 EDAB COC(=O)c1ccc(C(=O)NCCn2ccc3ccoc3c2=O)cc1 244942712 CWBYTWXSJZPXBJ-UHFFFAOYSA-N 340.335 1.811 0 40 EDAB Cc1cccc(OCCCNC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 30572630 AVVKOYASXVHLAI-HNNXBMFYSA-N 340.445 1.304 0 40 EDAB CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)s1 31274479 RECSBXHVYUDPDN-LLVKDONJSA-N 345.428 1.873 0 40 EDAB C[C@H]1CCCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 40476323 QLRDJNJGQBIBAT-LBPRGKRZSA-N 325.434 1.318 0 40 EDAB CSc1ccc(N2C[C@H](C(=O)NC3=NCCS3)CC2=O)cc1 40493277 AYDUPDUQXFRFCO-SNVBAGLBSA-N 335.454 1.980 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1OCc1ccncc1 40498570 UVSIXEAKHLDLOG-AWEZNQCLSA-N 346.408 1.578 0 40 EDAB Cc1nc(C)c([C@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)s1 40556146 VMNKMRBBOIXZSV-JTQLQIEISA-N 345.490 1.609 0 40 EDAB CC(=O)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1 40549695 PLHSHAQUEZEJJR-UHFFFAOYSA-N 332.791 1.830 0 40 EDAB C[C@@H](CNS(=O)(=O)C1=Cc2ccccc2CC1)N1CCOCC1 40510290 WWLQOIRNDGZESL-AWEZNQCLSA-N 336.457 1.614 0 40 EDAB CC[C@H](CNC(=O)c1cccnc1N1CCOCC1)N1CCCC1 40540839 QBYJXWOKNKSJEQ-OAHLLOKOSA-N 332.448 1.522 0 40 EDAB CC1(C)CC(=O)C(C(=O)[C@H](Cc2ccccc2)n2cnnn2)C(=O)C1 102448965 QIHMEKSQDSTISB-ZDUSSCGKSA-N 340.383 1.600 0 40 EDAB COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 540621 WLPHFAWNPAPAMW-SNVBAGLBSA-N 341.371 1.220 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)N2CCO[C@H]3CCC[C@@H]32)C1=O 53382704 QYDPGXXGGPUOBS-YDHLFZDLSA-N 330.384 1.580 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCCO[C@@H]1CCCC[C@@H]1C 53667197 DMDWUYRQKAKHHT-SMDDNHRTSA-N 329.466 1.911 0 40 EDAB O=C(CCNC(=O)c1ccsc1)Nc1ccc(-n2cnnn2)cc1 22423416 PYQKOMQLCIMUNE-UHFFFAOYSA-N 342.384 1.482 0 40 EDAB CN(Cc1ccccc1)C(=O)CCNC(=O)CCc1cnn(C)c1 71185725 JXEYQPCZWRFPRK-UHFFFAOYSA-N 328.416 1.518 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1cccc(F)c1 802768 PJEPKQMACPQTMK-UHFFFAOYSA-N 337.376 1.303 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1nnc(C2CCC2)s1 61718252 VWAFQCOMMFYUCK-UHFFFAOYSA-N 345.428 1.880 0 40 EDAB COc1ccc(C(=O)[C@H](C)n2cnc3c(=O)[nH]c(=O)n(C)c32)c(F)c1 1414399 BXVPJPRDSIWIBE-QMMMGPOBSA-N 346.318 1.015 0 40 EDAB CCC1(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)COC1 79069633 GCNQGSVLXMREOC-MRXNPFEDSA-N 331.460 1.740 0 40 EDAB CCN1CCN(c2ccccc2NC(=O)N[C@@H]2CCN(C)C2)CC1 54383286 RQQRQPZXOVFLCT-OAHLLOKOSA-N 331.464 1.654 0 40 EDAB CCOc1ncccc1C(=O)OCCN1C(=O)c2ccccc2C1=O 3279802 AYMFRENPABFOCI-UHFFFAOYSA-N 340.335 1.933 0 40 EDAB CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 3400902 VYDRHAMVYYKJMJ-UHFFFAOYSA-N 341.367 1.647 0 40 EDAB CC[C@@](C)(CNC(=O)Cc1noc2ccccc12)N1CCOCC1 42775793 RYAYTZILFGNNSS-SFHVURJKSA-N 331.416 1.987 0 40 EDAB O=C(COC(=O)Cc1cccs1)NC(=O)NCc1ccccc1 6121400 ZVJFHYDYGAJTHM-UHFFFAOYSA-N 332.381 1.860 0 40 EDAB CCOC(=O)N1CCC(NC(=O)[C@H](C)NC(=O)c2ccco2)CC1 24470677 UZCJRUGBWXBGAI-NSHDSACASA-N 337.376 1.135 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)n1 72299398 ADCRMXQVJOVUPH-LBPRGKRZSA-N 331.376 1.422 0 40 EDAB CCOc1ccc([C@H]2c3c(C)nnc(O)c3Nc3nnnn32)cc1 10298556 FYOYWEYBZZQPRQ-ZDUSSCGKSA-N 325.332 1.571 0 40 EDAB O=C1CCCN1C[C@@H](O)CS(=O)(=O)Cc1ccc(Cl)cc1 1391311 KJSKVDOGVAXUJW-CYBMUJFWSA-N 331.821 1.238 0 40 EDAB COc1ccc(NC(=O)CN(C)CC(=O)N2CCCCCC2)cc1 8093122 AUGFBWHBDKQJTF-UHFFFAOYSA-N 333.432 1.968 0 40 EDAB O=C(NC1CC1)C1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1 56006224 HMQCOHZUVRGXHE-QGZVFWFLSA-N 341.411 1.697 0 40 EDAB CCN(CCCNC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O 56541315 QHBSISFKCMYZGI-UHFFFAOYSA-N 335.376 1.758 0 40 EDAB CCOC(=O)[C@@H]1CSCCN1Cc1nc2ccsc2c(=O)[nH]1 26336374 NHMYUOPKSNEKGT-JTQLQIEISA-N 339.442 1.465 0 40 EDAB O=C(c1ccc(N2CCCC2)nc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269648 DNAXHMLSQOYCFE-IAGOWNOFSA-N 344.459 1.353 0 40 EDAB CCOc1c(/C=C2\Sc3cc4c(cc3N2C)OCO4)c(=O)c1=O 57478266 AFPCTWXDCWOODG-PQMHYQBVSA-N 331.349 1.951 0 40 EDAB O=C(c1nc(N2CCCC2)ncc1Cl)N1CCN(C2CC2)CC1 57993340 VDXQSDAFXQYKKQ-UHFFFAOYSA-N 335.839 1.650 0 40 EDAB Cc1ccc([C@@](O)(CCNC(=O)NCc2cc[nH]n2)C(F)(F)F)o1 48286782 XTTSFLRCFDVXPF-ZDUSSCGKSA-N 346.309 1.951 0 40 EDAB Cc1n[nH]cc1NC(=O)c1cccc(C(=O)Nc2c[nH]nc2C)n1 58004049 KHVGYUQVVBDWGV-UHFFFAOYSA-N 325.332 1.649 0 40 EDAB COc1ccc(CNC(=O)COC(=O)Cc2c(C)nn(C)c2C)cc1 10199493 KTNOTBJVFIPVJI-UHFFFAOYSA-N 345.399 1.448 0 40 EDAB O=C(CN1CCC[C@@H](O)C1)NC1CCN(Cc2ccccc2)CC1 44871143 OGZZYWMKZSRLSA-GOSISDBHSA-N 331.460 1.224 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(CC(C)C)CC1 44889915 SRQLNRTVGYYPQL-UHFFFAOYSA-N 344.463 1.474 0 40 EDAB O=C(NC1CCN(S(=O)(=O)c2cccc(F)c2F)CC1)C1CC1 58289979 HCTMJUCTCFUZJN-UHFFFAOYSA-N 344.383 1.644 0 40 EDAB CCOCc1cccc(CNC(=O)NCCCN2CCOCC2)c1 58210707 AMYVEPSVXGUDJI-UHFFFAOYSA-N 335.448 1.745 0 40 EDAB CC(=O)N1CCCN(S(=O)(=O)c2ccccc2OC(F)F)CC1 58281750 JOXDEXLSPQRVJK-UHFFFAOYSA-N 348.371 1.531 0 40 EDAB Cc1cccc(S(=O)(=O)Nc2cccc(CS(N)(=O)=O)c2)c1 58244201 YKWCBIHAOHQILQ-UHFFFAOYSA-N 340.426 1.584 0 40 EDAB Cc1cc(NC(=O)CNC(=O)[C@H]2CCCO2)ccc1Br 58230614 QXRWYVWPXLCWOV-GFCCVEGCSA-N 341.205 1.991 0 40 EDAB CCc1nnsc1C(=O)NCCN1CCN(c2ccccc2)CC1 44911342 NCKVROOJOOSDAO-UHFFFAOYSA-N 345.472 1.653 0 40 EDAB COc1ccccc1[C@H](NC(=O)NCCCC(N)=O)c1nccn1C 44952654 LFRVSYKCVZLSFX-HNNXBMFYSA-N 345.403 1.083 0 40 EDAB Cc1ccoc1-c1nnc(CNC[C@@H]2CCc3nnc(C)n3C2)o1 95381582 VCNBPJYHMMOOEW-LBPRGKRZSA-N 328.376 1.890 0 40 EDAB COCc1ccccc1C(=O)NCCC(=O)NCc1ccncc1 58406964 CJUPZVLHQITATP-UHFFFAOYSA-N 327.384 1.664 0 40 EDAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)NCC2CC2)c1 45126456 LRTJDEBHPOLXFU-UHFFFAOYSA-N 325.434 1.583 0 40 EDAB CN(C)c1ccnc(C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)c1 97165171 LWVSQEFHHCVPSP-OAHLLOKOSA-N 341.415 1.759 0 40 EDAB C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 72309535 FNRJZWLEIBCNOR-ZIAGYGMSSA-N 338.473 1.230 0 40 EDAB O=C(N[C@@H]1COc2ccccc21)[C@@H]1CC(=O)N(Cc2ccco2)C1 58726937 LZHDDPCFJHFLHB-IUODEOHRSA-N 326.352 1.878 0 40 EDAB O=C(NCc1ccc[nH]1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 74127787 YRAOWLDVOMGUNY-CQSZACIVSA-N 341.367 1.664 0 40 EDAB C[C@H](C(=O)NC(=O)NC1CC1)N(C)Cc1ccc2c(c1)OCCO2 11231629 BVDKEXOJXYJHEV-LLVKDONJSA-N 333.388 1.266 0 40 EDAB Cc1cccc2nc(CN3C(=O)NC4(CCCCC4)C3=O)cc(=O)n12 29843602 BELQGKDAVAHSSH-UHFFFAOYSA-N 340.383 1.758 0 40 EDAB CS(=O)(=O)N1CC[C@H](F)[C@@]2(CCN(Cc3ccncc3)C2)C1 107244609 BAVQRHNBYMQSQU-LSDHHAIUSA-N 327.425 1.277 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 48302319 NGVRLUCWXWXYBZ-GJZGRUSLSA-N 341.477 1.983 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccco2)n2nc(C)nc2N1 10157085 ZVFZDAQSDNOLTE-AWEZNQCLSA-N 329.360 1.327 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@H](C)Cn3ccnc3)CC2)on1 47028731 XNYVNARFMFIMHG-CQSZACIVSA-N 332.408 1.095 0 40 EDAB O=C1C[C@H](n2nnn(-c3ccccc3Cl)c2=S)[C@@H]2CO[C@@H]1O2 101080304 QOANVVRGSJBXIG-ZMLRMANQSA-N 338.776 1.707 0 40 EDAB O=C1CN(NC(=O)c2cccc(NC(=O)c3cccs3)c2)C(=O)N1 12997900 MOGPHBLBYBEVFI-UHFFFAOYSA-N 344.352 1.197 0 40 EDAB COCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(F)cc1 13127060 NMOSGAGFDBLHPB-CQSZACIVSA-N 332.335 1.896 0 40 EDAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 3887168 ISNAZXQRXFYYDQ-GFCCVEGCSA-N 343.401 1.126 0 40 EDAB C[C@H](NS(C)(=O)=O)c1cc2c(cc1Br)OCCO2 49335910 JMHAPOYJPXJFON-ZETCQYMHSA-N 336.207 1.831 0 40 EDAB Cc1ccc(-n2cc(C(=O)NC(CO)CO)c(C(C)(C)C)n2)cc1 97374808 CSLDTVNRMGCGBG-UHFFFAOYSA-N 331.416 1.561 0 40 EDAB CC[C@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)C[C@H]1N(C)C 84735546 YNSVUIRFMRPWLM-XJKSGUPXSA-N 328.416 1.195 0 40 EDAB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1C 6790132 HXNJSRPYHHDJGX-UHFFFAOYSA-N 332.381 1.669 0 40 EDAB Cc1occc1C(=O)NC1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 67230013 CYHFPRIXWNXRKI-HNNXBMFYSA-N 349.431 1.077 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(C(F)(F)F)n2N)C1 5993541 MYNJNOOFTNPRSY-OCAPTIKFSA-N 337.371 1.607 0 40 EDAB COc1cc(OC)cc(N2CC[C@H](N(C)Cc3ccnn3C)C2=O)c1 93840867 YLFJGKFOBMRILC-KRWDZBQOSA-N 344.415 1.675 0 40 EDAB Cc1nc2ccc(C(=O)OCC(=O)NC[C@H]3CCCO3)cc2nc1C 7557593 YPMUKQHHNHORHR-CQSZACIVSA-N 343.383 1.699 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)O[C@H](C)C(=O)N1CCC(C)CC1 7738581 XUTFUZVBNKWWNU-LLVKDONJSA-N 347.371 1.628 0 40 EDAB Cc1nc2ccccc2c(=O)n1CC(=O)NC1(C(=O)O)CCCCC1 71798565 FTQXPWPOXMOBGU-UHFFFAOYSA-N 343.383 1.609 0 40 EDAB COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)c1 81638683 RAINJVMWLQWVBW-LBPRGKRZSA-N 343.383 1.427 0 40 EDAB CNS(=O)(=O)c1ccc(CNc2nn3cc(C)nc3s2)s1 69161904 OIZFBALQLUDPOT-UHFFFAOYSA-N 343.459 1.681 0 40 EDAB CN1C[C@@H](NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1=O 81729414 JVEGXZCRFXWMDE-ZDUSSCGKSA-N 326.356 1.575 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc3c(c1)OCO3)C2=O 8278617 CBNQZRZJKRKACN-UHFFFAOYSA-N 345.355 1.561 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cnc(-c2cccc(O)c2)nc1 70040263 FEJCCOKPBBWQOY-LLVKDONJSA-N 347.396 1.613 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2CC(=O)N(C)Cc2cnn(C)c2)n1 70003918 FMYXJWOHAHWNKF-KRWDZBQOSA-N 344.463 1.356 0 40 EDAB CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2cnn(C)c2)C1 96420700 OCMGGBUTARMADO-AWEZNQCLSA-N 335.452 1.504 0 40 EDAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccc(F)cc1 8393811 ZTEILXZZLUXHJH-UHFFFAOYSA-N 336.388 1.820 0 40 EDAB CCc1noc([C@@H](C)N2CCN(c3ncnc4c3CCC4)CC2)n1 69442816 RZKQWGZNMQLEPB-GFCCVEGCSA-N 328.420 1.794 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)NO[C@@H]3CCCCO3)CC2=O)cc1 69619705 YFYIKXGIVGKFMC-RHSMWYFYSA-N 348.399 1.618 0 40 EDAB C[C@H](NC(=O)NCCNC(=O)CC1CCCCC1)[C@@H]1CCCO1 69658799 MNKGPVFLHPJXFC-ZFWWWQNUSA-N 325.453 1.940 0 40 EDAB CNC(=O)NC(=O)CN(C)[C@H](c1cccnc1)c1ccc(F)cc1F 69780185 JHCBWJCBQSYPPU-MRXNPFEDSA-N 348.353 1.837 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1F 69716709 VSWKDRXIPMBPIS-NXEZZACHSA-N 334.355 1.751 0 40 EDAB O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cn[nH]n1 71885783 JXYXYQRGFHZTBN-UHFFFAOYSA-N 348.838 1.400 0 40 EDAB Cc1[nH]c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)c1CC(=O)O 20156494 TZBSVUGQZSPIQV-UHFFFAOYSA-N 329.139 1.768 0 40 EDAB C[C@@H](CNC(=O)CCn1ccc2ccccc21)N1CCN(C)CC1 71867399 XEZFQMKNVVAMEO-INIZCTEOSA-N 328.460 1.784 0 40 EDAB CN1N=C(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CCC1=O 71886296 MESSELLYKJYCLT-GFCCVEGCSA-N 349.362 1.930 0 40 EDAB COc1ncnc2c1CN(Cc1cn(C)nc1-c1ccncc1)CC2 92808206 PDHKQSBOKOOAGH-UHFFFAOYSA-N 336.399 1.839 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCCO3)ccc21 95955428 ZMJSNHLMYHNYAU-CQSZACIVSA-N 338.429 1.443 0 40 EDAB CS(=O)(=O)NC(=O)c1cn(-c2ccc(Br)cc2)cn1 89486567 IPDSDAKIHMEVPS-UHFFFAOYSA-N 344.190 1.324 0 40 EDAB C[C@H]1COC[C@@H](C)N1CC(=O)NC(=O)NCCc1cccs1 75145448 SHJIOQUETZUMJE-TXEJJXNPSA-N 325.434 1.226 0 40 EDAB CC(C)Oc1ccc([C@H](C)NC(=O)Cn2[nH]c(=O)ccc2=O)cc1 89888014 XRGPVMXFZSHGCN-LBPRGKRZSA-N 331.372 1.201 0 40 EDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)CS(=O)(=O)C(C)C 75602365 XSVOPOAESNGAQM-LLVKDONJSA-N 347.868 1.869 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)C[C@@H]1N(C)C 76055935 QRHACAKQIKEPIV-FOCJUVANSA-N 335.473 1.676 0 40 EDAB COCCOc1cccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 76053040 YDIPUGSPJSMKIW-QAPCUYQASA-N 348.443 1.505 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cccc(C)c1)C2 306126445 DWCOGDSDQOUWEU-OAHLLOKOSA-N 337.441 1.661 0 40 EDAB CCOC(=O)[C@H]1COC2(CCN(C(=O)OC(C)(C)C)CC2)CN1 306145456 FUMIXGQHUSECAN-GFCCVEGCSA-N 328.409 1.308 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)OC[C@H]2CCCO2)C1 521394198 RDXQZCMOSHXOCZ-UPJWGTAASA-N 344.408 1.119 0 40 EDAB CC(C)S(=O)(=O)N1CCN(C(=O)CCCn2cccc2)CC1 524735752 WNHKFXSSJKTBGT-UHFFFAOYSA-N 327.450 1.151 0 40 EDAB O=S1(=O)CC[C@@H](N2CCN(c3ncc(Cl)cc3F)CC2)C1 79294227 PMSDPVZYZMGNBC-LLVKDONJSA-N 333.816 1.183 0 40 EDAB C[C@@H]1CCCCN1CCCNC(=O)C1(S(C)(=O)=O)CCCC1 79351884 NFNHRUHXKRMROA-CQSZACIVSA-N 330.494 1.725 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)c1ccc(Br)cc1O 44490975 JRQDYJOCQTVROU-UHFFFAOYSA-N 329.194 1.705 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCCOc1ccc(F)c(F)c1 78610140 BKDBFNDGRRUXKK-SNVBAGLBSA-N 338.310 1.871 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](N)[C@@H]2c2ccc3c(c2)OCO3)cc1 218173739 YCKAMNPVQMGNAF-YESZJQIVSA-N 331.393 1.991 0 40 EDAB CCN(C(=O)c1cn2cccnc2n1)[C@H]1CCN(c2ccccc2)C1=O 78915224 YMKDTZIGRCXFOU-INIZCTEOSA-N 349.394 1.997 0 40 EDAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2CC(N)=O)n1 72360954 OQJGWQLCVMZNMF-AWEZNQCLSA-N 326.404 1.854 0 40 EDAB CN(C)C(=O)c1cn[nH]c1C1(C)CCN(Cc2cnn(C)c2)CC1 72388878 XQGUPBKQJCZBDZ-UHFFFAOYSA-N 330.436 1.399 0 40 EDAB Cc1nc(C(C)(C)NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)no1 567484630 UYNVUQDFGQOEHI-SFHVURJKSA-N 342.399 1.577 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1Cl 74803644 UNYVJPGHYQVDRY-LLVKDONJSA-N 342.848 1.938 0 40 EDAB COc1ccc2nnc(CCC(=O)N=c3[nH]c4ccccc4[nH]3)n2n1 71284938 NKTZAAZBADGJJR-UHFFFAOYSA-N 337.343 1.002 0 40 EDAB Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1ccc(-n2cnnn2)cc1 72243042 GUBOFJFVHGTTQF-MRXNPFEDSA-N 335.371 1.568 0 40 EDAB O=C(CNC(=O)c1c[nH]c2ccccc12)NCCCn1ccnc1 49027769 NUVWCUKMVNBSTH-UHFFFAOYSA-N 325.372 1.301 0 40 EDAB C[C@@H](c1ccc2c(c1)OCO2)N1Cc2nc(N(C)C)ncc2C1=O 41123037 ACOFMGNSRPXQTK-JTQLQIEISA-N 326.356 1.988 0 40 EDAB C[C@@H]1CN(c2ncc3c(n2)CN(C2CCSCC2)C3=O)C[C@@H](C)O1 41122957 ANTFCLWIRCLYEK-VXGBXAGGSA-N 348.472 1.942 0 40 EDAB COc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CNCCCO2)c1 569678723 WMVLJNYBZCZKJV-LLVKDONJSA-N 334.825 1.005 0 40 EDAB CO[C@@H](CS(=O)(=O)N1CCCC[C@@H]1C(=O)O)c1ccc(F)cc1 530139508 JOVNGQPWHQBKRH-KGLIPLIRSA-N 345.392 1.782 0 40 EDAB O=c1[nH]c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)nc2ccccc12 85878085 LTQWZVKMMYOFHQ-KGLIPLIRSA-N 348.406 1.704 0 40 EDAB biogenic O=S1(=O)CC[C@H](NC2CCN(Cc3cc(F)cc(F)c3)CC2)C1 225463092 HXLSPXHCOIBBRX-INIZCTEOSA-N 344.427 1.706 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1 226747199 MTVZHIJPWNZRBC-KRWDZBQOSA-N 335.379 1.740 0 40 EDAB CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ncc(C)o1 330710424 PEQDOZJQDINTGQ-QWHCGFSZSA-N 343.449 1.755 0 40 EDAB COc1ccc(OC)c(CN2CCC(C(=O)NC[C@@H](C)O)CC2)c1 199402330 SQXOZHCILSOJJP-CYBMUJFWSA-N 336.432 1.413 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 195544932 SOQUDYCXXLBYKM-GOEBONIOSA-N 349.456 1.863 0 40 EDAB CNC(=O)C[C@@H]1C[C@H]2CN(Cc3cc(OC)cc(OC)c3)C[C@H]2O1 96218887 RQHVXCXXAMXTMV-RRQGHBQHSA-N 334.416 1.429 0 40 EDAB CN1C(=O)CCc2cc(S(=O)(=O)NCCCn3cccn3)ccc21 96182571 WQXNNOAFAHBNMM-UHFFFAOYSA-N 348.428 1.161 0 40 EDAB COc1ccnc(CN2C[C@H](OC)C[C@H]2c2nnc3cnccn23)c1 583615076 ZKKSMYXQGUUMAZ-CABCVRRESA-N 340.387 1.490 0 40 EDAB COC(=O)CCC(=O)N1C[C@@H]2CN(CCCc3ccccc3)C[C@@H]2C1 96080922 LINUKFOVERJELM-HDICACEKSA-N 344.455 1.963 0 40 EDAB O=C(NCCN1CCC[C@@H](CO)C1)c1cccc(-c2cn[nH]c2)c1 97641945 DEQVCDVETFLPGK-CQSZACIVSA-N 328.416 1.511 0 40 EDAB Cn1c(=O)c(CNc2ncccc2S(N)(=O)=O)cc2ccccc21 578832534 YEYKHAIGJIXLBY-UHFFFAOYSA-N 344.396 1.193 0 40 EDAB O=C(c1ccco1)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048363 JGDGSLFXPAJSNU-CXAGYDPISA-N 328.372 1.945 0 40 EDAB COc1ccccc1-c1cn2c(n1)CO[C@@H](CNS(C)(=O)=O)C2 96112878 UYDMHVYMKMPKGI-NSHDSACASA-N 337.401 1.007 0 40 EDAB biogenic,in-vitro COC(=O)N1CC[C@H](NC(=O)c2cc(Br)cn2C)C1 96431247 QCAUXYZGQAPCMR-VIFPVBQESA-N 330.182 1.358 0 40 EDAB COc1cccc(CCCN2CCC[C@H]2C(=O)N2CCOCC2)c1 96424618 OMWUAZJZJZCKQW-SFHVURJKSA-N 332.444 1.951 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 95252485 GXSBDFGSOBTNIJ-AZKPJATDSA-N 336.413 1.335 0 40 EDAB O=C(COc1ccccc1)NC[C@H]1COCc2nc3cccnc3n21 96112552 FDRFIWJDJNQSCD-ZDUSSCGKSA-N 338.367 1.698 0 40 EDAB biogenic,in-vitro O=C(c1ccccc1F)N1CCN(CCOC[C@@H]2CCCO2)CC1 96421060 HNGOVRFXAJCPIP-HNNXBMFYSA-N 336.407 1.779 0 40 EDAB COC(=O)[C@H](C)CS(=O)(=O)N[C@H]1CCCc2ccc(F)cc21 93049071 QZUZKXDJHDEOEU-YGRLFVJLSA-N 329.393 1.932 0 40 EDAB CO[C@@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2ccnn2C1 247905506 XAOHKJLZJZXRSX-CYBMUJFWSA-N 345.790 1.855 0 40 EDAB CO[C@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2ccnn2C1 247905509 XAOHKJLZJZXRSX-ZDUSSCGKSA-N 345.790 1.855 0 40 EDAB COCCNC(=O)[C@@H]1CN(Cc2scnc2C)Cc2cccn2C1 248020697 IVPDUFDRQUPWJH-CQSZACIVSA-N 348.472 1.648 0 40 EDAB Cn1cc(C(=O)N2CC3(C[C@H](OCc4cccnc4)CCO3)C2)cn1 248156171 VQXWPMLWHOHKBV-MRXNPFEDSA-N 342.399 1.406 0 40 EDAB COc1cc(N2Cc3ccnn3[C@H](C(=O)NC3CCCC3)C2)ncn1 247879940 IRSFOLPGAHTIFT-AWEZNQCLSA-N 342.403 1.302 0 40 EDAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CCO[C@H](c2cnccn2)C1 257301205 RXJZAIPCTXPRKY-INIZCTEOSA-N 336.355 1.475 0 40 EDAB COCCC(=O)NCCn1cc(-c2nc(-c3ccsc3)no2)nn1 252484803 GIEHEQHKFWGCDF-UHFFFAOYSA-N 348.388 1.209 0 40 EDAB Cc1cc(-c2cc([C@@H]3CCCN(S(C)(=O)=O)C3)nc(C)n2)[nH]n1 257292209 QKMAQFFSFTYNKR-GFCCVEGCSA-N 335.433 1.623 0 40 EDAB C[C@@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1Cc1ccco1 253591587 OUVQVQLZSBQREU-CQSZACIVSA-N 344.415 1.454 0 40 EDAB Cc1cc(N[C@@H](CO)[C@H](O)c2ccc(Cl)cc2)n2ncnc2n1 585132772 URCNIZMMEQTASH-GXTWGEPZSA-N 333.779 1.593 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCCSCC1 585121586 SUIBTDMPZVHVHX-WBMJQRKESA-N 344.477 1.712 0 40 EDAB CCc1noc(CCC(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)n1 257264950 LWQKSWUFGWBXNP-PBFPGSCMSA-N 336.436 1.059 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCC2(CC(Nc3ccncn3)C2)C1 257316129 VEGUQUHATFQFJZ-UHFFFAOYSA-N 340.431 1.852 0 40 EDAB CN(C)c1cnc(C[C@@H]2CCCN(C(=O)c3c[nH]cn3)CC2)cn1 257200962 AFNPNFKVQCQHNJ-CYBMUJFWSA-N 328.420 1.751 0 40 EDAB Cc1cnc(C2(C)CCN(S(=O)(=O)N3CCOCC3)CC2)s1 257271164 MXCVDFOBLUUBDC-UHFFFAOYSA-N 345.490 1.382 0 40 EDAB Cc1nc(N2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)cc2nncn12 596450397 VRFBEDFKORCLRU-SJKOYZFVSA-N 345.403 1.227 0 40 EDAB O=C(CNC(=O)c1ccccc1)Nc1cnn(C2CCOCC2)c1 96123313 SPEHMBHEROKOAC-UHFFFAOYSA-N 328.372 1.603 0 40 EDAB COCc1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)[C@@H](C)C2 585098756 ZFIMTEKIWPJMIL-LBPRGKRZSA-N 332.379 1.580 0 40 EDAB COCCN1CC[C@]2(CN(Cc3ccncc3)CC(F)(F)C2)C1=O 585093113 CPWZZXUFAKOCIH-INIZCTEOSA-N 339.386 1.788 0 40 EDAB CC(=O)N1CCN(C2CCCC2)C[C@](O)(COc2ccccc2)C1 585281761 QWTDSVGHHQDUTQ-IBGZPJMESA-N 332.444 1.903 0 40 EDAB O=C(CCCn1cccn1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585270783 AODJJZKYYKWPAX-IBGZPJMESA-N 343.427 1.496 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N1c3ccccc3C[C@H]1C)CC2 69969331 TVBAITIMTUUXJU-DOMZBBRYSA-N 325.416 1.469 0 40 EDAB CCN1CCN([C@H](C)CNC(=O)c2cc(O)nc3ccccc23)CC1 69704665 XHTSUCDAEICAEQ-CQSZACIVSA-N 342.443 1.696 0 40 EDAB Cc1nnc(CN(C)CC(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)n1C 73729499 WGIFQQOAKXPKOZ-YOEHRIQHSA-N 341.459 1.960 0 40 EDAB COc1cccc(CCNC(=O)c2cccc3c2OCC(=O)N3)c1 74733125 DWJHILCBVGZSPF-UHFFFAOYSA-N 326.352 1.999 0 40 EDAB O=C(NCCc1ccc(-n2cccn2)cc1)NC[C@H]1CCC[C@@H]1O 78951481 ZLFWOUKFCMWGCQ-WBVHZDCISA-N 328.416 1.875 0 40 EDAB Cc1ncc(CNCCN2CCCS2(=O)=O)n1-c1ccccc1 84022019 LKKJFVNTFVNWAU-UHFFFAOYSA-N 334.445 1.306 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NC[C@@H](c1ccc(F)cc1)N(C)C 12239247 FVBVLVLAEPQZHM-AWEZNQCLSA-N 340.424 1.449 0 40 EDAB Cc1ccc(Cl)cc1NC(=O)C[C@@H]1SC[C@H](C(=O)O)NC1=O 13636941 CDRJXXJUFITDOF-MNOVXSKESA-N 342.804 1.662 0 40 EDAB COc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1 16400227 SHVQYSPVDLQQNA-KRWDZBQOSA-N 343.339 1.694 0 40 EDAB Cc1cc2nc([C@@H](NC(=O)c3ccc(=O)[nH]c3)C(C)C)cc(O)n2n1 19129515 NQIKEIZXYQEQGN-INIZCTEOSA-N 341.371 1.559 0 40 EDAB O=c1[nH]c(N2CCOCC2)nc2c1CCN(Cc1ccccc1)CC2 19372390 GXRRYVKOJFZXEB-UHFFFAOYSA-N 340.427 1.207 0 40 EDAB CCN1C(=O)[C@@H]2[C@@H](c3cccc(F)c3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526740 YETVZQMIBWNCBG-APNQJHFZSA-N 334.347 1.023 0 40 EDAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)NC1CCOCC1 225553085 AECQZZRQGXGYGV-CQSZACIVSA-N 332.322 1.915 0 40 EDAB CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NC[C@@H]1CCCO1 14033739 YUJMRIUQIMJXCN-RYUDHWBXSA-N 337.445 1.699 0 40 EDAB COc1ccnc(N2CCN(c3nc(C(=O)O)c(C)s3)CC2)c1 577614516 DRASRRHUVZZABW-UHFFFAOYSA-N 334.401 1.880 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)N1CCN(Cc2ccccn2)CC1 585149814 PKHDWVOCEUSQTF-HOTGVXAUSA-N 344.459 1.134 0 40 EDAB c1nc(N2CC[C@H](COc3cc4c(nn3)CCC4)C2)c2c[nH]nc2n1 1888904151 BNZDWKOXSIQXII-NSHDSACASA-N 337.387 1.537 0 40 EDAB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(F)cc1 16379806 AJOMQDOSCXQRDW-IUODEOHRSA-N 342.436 1.292 0 40 EDAB CC(=O)Nc1ccc(CNC(=O)CNC(=O)c2ccccc2)cc1 25179020 ROAPQKPKTBVAIX-UHFFFAOYSA-N 325.368 1.691 0 40 EDAB NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 32069441 OKGIFUWMRVAPTH-GFCCVEGCSA-N 349.818 1.417 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc2c(c1)OCO2 10255710 RHVDCKBLESTCSK-DDJMYBDESA-N 336.347 1.872 0 40 EDAB Cc1ccc(CNC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)cc1 13116775 MTDVCQZZEWWMNH-UHFFFAOYSA-N 329.385 1.363 0 40 EDAB CNC(=O)c1nsc(C(=O)NCc2ccc(SC)cc2)c1N 49006205 ILIRIWIIWXPVOC-UHFFFAOYSA-N 336.442 1.737 0 40 EDAB Cc1cc(NC(=O)C(=O)NCC[C@H](CCO)c2ccsc2)no1 575605554 BHNGNWIXIMHLCI-LLVKDONJSA-N 337.401 1.656 0 40 EDAB CCCN1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1 65154623 XGZQCSKJZVYWHH-UHFFFAOYSA-N 340.431 1.843 0 40 EDAB CCN(Cc1ccco1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 40070273 FQLFUGWDHOAMIX-MRXNPFEDSA-N 340.383 1.748 0 40 EDAB O=C(CCCOc1ccccc1Cl)N[C@@H]1CCS(=O)(=O)C1 50294855 XLXDZKKEHKNNPE-LLVKDONJSA-N 331.821 1.802 0 40 EDAB CC(C)C(=O)N1CCC(C(=O)NC[C@H](O)c2ccc(F)cc2)CC1 31316511 VTOWQMLRORFHRP-INIZCTEOSA-N 336.407 1.870 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)no1 40528884 JGAGXJZEFLHMCZ-LOWVWBTDSA-N 328.434 1.791 0 40 EDAB Cc1cn(CC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c2ccccc12 51470003 KFWHAWBZIAINQJ-HZPDHXFCSA-N 327.428 1.929 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@@H]1[C@@H]1CCCN1C(C)=O 101433016 GMVWXSYGRVZCBJ-BIKJCLGBSA-N 347.463 1.129 0 40 EDAB C[C@H]1C(=O)[C@@H](C(=O)NCc2ccco2)C(=O)N1Cc1ccccc1 101817976 FWPSHNCHHMJDCI-WFASDCNBSA-N 326.352 1.512 0 40 EDAB CN1CCN(C(C)(C)CNC(=O)NCCc2ccc(F)cc2)CC1 32754945 UARHQQUDQCNNTG-UHFFFAOYSA-N 336.455 1.693 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)NCC2(c3ccccc3)CC2)on1 52416399 UCMLNKVAMJSIMN-UHFFFAOYSA-N 348.424 1.746 0 40 EDAB CCn1c(N)c(C(=O)CN(C)[C@H](C)c2ccc(C)cc2)c(=O)[nH]c1=O 52907489 NBUKLKMPQZCWNJ-GFCCVEGCSA-N 344.415 1.323 0 40 EDAB O=C(Cn1ccc2ccc(Cl)cc21)NC[C@H]1CCS(=O)(=O)C1 53009506 GADNYZTVFYRCIJ-LLVKDONJSA-N 340.832 1.846 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCN(c2ccccc2O)CC1 103243119 NINGYXRSVGUBRR-LVZFUZTISA-N 343.431 1.181 0 40 EDAB COC(=O)CCCNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 22750108 ZZZJZXYMZOEWGQ-HNNXBMFYSA-N 338.379 1.650 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CN2CCN(Cc3ccccc3)CC2)C1=O 22934151 BTEZEFNQXQNINS-IBGZPJMESA-N 342.443 1.482 0 40 EDAB CCN(CC)c1ccc(NC(=O)N2CCC(C(=O)NC)CC2)cn1 61473155 UMMMBIQMGDGBDK-UHFFFAOYSA-N 333.436 1.918 0 40 EDAB CC(=O)c1ccc(NC(=O)C[C@H](NCc2cccnc2)C(=O)O)cc1 195674 FFZNJKUGYGQAPX-INIZCTEOSA-N 341.367 1.856 0 40 EDAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NC)cc2c1 418305 FOOBJHBGLXJHKH-UHFFFAOYSA-N 335.429 1.225 0 40 EDAB COc1ccc(C2=CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 47541621 VSXXQMJCPGQPMF-UHFFFAOYSA-N 338.429 1.361 0 40 EDAB Cc1nc(-c2ccccc2)oc1C(=O)N1CCN(S(C)(=O)=O)CC1 72832545 HSUNLBIYEAJNIT-UHFFFAOYSA-N 349.412 1.367 0 40 EDAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1cc2ccccc2[nH]1 47635213 FSVPMVIGXYUFEE-CRAIPNDOSA-N 343.427 1.635 0 40 EDAB COC(=O)C[C@H]1CSCCN1C(=O)/C=C/c1csc(C)n1 78869194 DBDGBAAADPNQPI-PCAWENJQSA-N 326.443 1.972 0 40 EDAB O=C(NCCCn1ccnc1)c1ccc(S(=O)(=O)C(F)F)cc1 23238462 ZLERSJBUSAIPGA-UHFFFAOYSA-N 343.355 1.700 0 40 EDAB Cc1nc(NC(=O)N(CCC(F)(F)F)C[C@H](O)CO)sc1C 79058565 WMSARASHJIBGTA-VIFPVBQESA-N 341.355 1.899 0 40 EDAB COc1ccccc1CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 2347114 OVXMVYWCWIKIQI-UHFFFAOYSA-N 334.353 1.608 0 40 EDAB COc1cccc(NC(=O)Cn2c(=O)c3ccccc3n3nncc23)c1 2957591 OMFMDBTUIKZJRR-UHFFFAOYSA-N 349.350 1.692 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)/C=C/c1ccc2c(c1)OCO2 6497224 BMNSYRQMAHGLAU-STUBTGCMSA-N 334.328 1.206 0 40 EDAB COc1ccc(S(=O)(=O)NCCNC(=O)c2cccnc2C)cc1 95394034 FMYTUTIZAMCBMX-UHFFFAOYSA-N 349.412 1.107 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)[C@H]2C[C@H]2c2ccco2)CC1 106840760 QRYVDURIEWXNFP-CABCVRRESA-N 328.416 1.851 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCO2)cc1 25394054 QNZVISOJXRVYSL-OAHLLOKOSA-N 340.445 1.512 0 40 EDAB C[C@H](CNC(=O)NCc1cccc(Cn2cncn2)c1)N(C)C1CC1 84638403 XACARRLBMPDSRR-CQSZACIVSA-N 342.447 1.608 0 40 EDAB C[C@@H](OCCCNC(=O)CN1CCN(C)C[C@H]1C)c1ccccc1 107580919 FMGHLEHTRSFCRD-IAGOWNOFSA-N 333.476 1.906 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1COc2ccccc2C1=O 95444695 ZDGICMWMZOEZST-UONOGXRCSA-N 330.384 1.538 0 40 EDAB COc1ccc(OC)c([C@H](O)Cn2nc(-c3ccco3)oc2=O)c1 44264949 GOWQEWWGKIFQCN-GFCCVEGCSA-N 332.312 1.847 0 40 EDAB CN1CCOC[C@@H]1C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 108370650 ZHPYGNSGTISKNE-SJORKVTESA-N 336.407 1.428 0 40 EDAB CC(C)(C)NC(=O)NC(=O)Cn1nnc(-c2cccc(Cl)c2)n1 9453609 UJNBSXKJLYRPRB-UHFFFAOYSA-N 336.783 1.618 0 40 EDAB C[C@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)c2cccn2C)C1=O 27293071 YKWWXWRRHDZRDO-GFCCVEGCSA-N 339.351 1.760 0 40 EDAB C[C@H](NC(=O)N1CCC(NS(C)(=O)=O)CC1)c1ccc(F)cc1 27342022 SOZMOKFXFSQZKZ-NSHDSACASA-N 343.424 1.610 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2cccs2)CC1 27363809 VMIYIGWOFUBHPF-GFCCVEGCSA-N 347.492 1.460 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@H](C)n3cncn3)CC2)cc1 27582735 YIDPQBHZXAYRFT-AWEZNQCLSA-N 329.404 1.192 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H](C)CN1CCCC1=O 58214538 VJLXWFUCFUIHAE-NSHDSACASA-N 327.384 1.786 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@H](C)C(=O)N1CCCCC1)C2 58294702 HQCLHOMDGRAVNF-UKRRQHHQSA-N 346.427 1.764 0 40 EDAB O=C(NCc1ccc(F)c(Cn2ccnc2)c1)N1CCC(O)CC1 44970198 NNGBYQRAQYUSRY-UHFFFAOYSA-N 332.379 1.737 0 40 EDAB C[C@H]1CN(CCNC(=O)NCc2cccnc2N(C)C)C[C@H](C)O1 44953768 BROIMODZKMSGPV-KBPBESRZSA-N 335.452 1.056 0 40 EDAB CN(CC(=O)N(C)C1CCCCC1)Cn1nc2ccccn2c1=O 58342251 SNVJVEDMNKOUAW-UHFFFAOYSA-N 331.420 1.176 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)C[C@H]4C=CCC4)CC3)ncnc21 12775404 KURVQUNYVSPJIN-ZDUSSCGKSA-N 326.404 1.368 0 40 EDAB C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)[C@@H]1COCCO1 72275591 FEXQMEYPSBKBQR-UPJWGTAASA-N 328.409 1.258 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)no1 36447039 WONFRWBFRLUPOT-UHFFFAOYSA-N 328.372 1.380 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 11412875 IGLHLBHCFVEFOS-LBPRGKRZSA-N 326.400 1.615 0 40 EDAB CCCCN(CC(N)=O)S(=O)(=O)c1ccc(C(=O)OCC)cc1 45811456 TYYYPQFVRFBDGC-UHFFFAOYSA-N 342.417 1.139 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(N3CCCC3)nc1)C2 72288387 PAHKHXGXXIISFL-OAHLLOKOSA-N 325.416 1.932 0 40 EDAB CC1(C)CCC(C)(C)c2cc(C(=O)NC(C(N)=O)C(N)=O)ccc21 72280793 BQSZKDHOMDEBPG-UHFFFAOYSA-N 331.416 1.105 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)NCC[S@@](=O)C(C)(C)C)ccc21 84240934 AERQPWCQLMVKBM-QHCPKHFHSA-N 339.417 1.800 0 40 EDAB COc1ccc(-c2nnc([C@H](C)N3CCN(C(C)=O)CC3)o2)cc1 29994211 WXSVJNVYCMIPPG-LBPRGKRZSA-N 330.388 1.970 0 40 EDAB Cn1c(NC(=O)c2cc(Cl)ccc2Cl)cc(=O)n(C)c1=O 2711237 TYSPWYBRAGGYLL-UHFFFAOYSA-N 328.155 1.643 0 40 EDAB C[C@H]1C[C@@H]1CNC(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1 47096798 OCYOMIBPZNVCQD-LSDHHAIUSA-N 346.479 1.488 0 40 EDAB CCn1cc(NC(=O)c2cc(C(F)(F)F)nn2C)c(C(N)=O)n1 28235159 DCBGKZNSAZLQBL-UHFFFAOYSA-N 330.270 1.007 0 40 EDAB COc1ccc(Br)c(C(=O)O[C@H](C)C(=O)NC(N)=O)c1 3523169 UDGVSHYDNLJLRC-ZCFIWIBFSA-N 345.149 1.198 0 40 EDAB C[C@@]1([C@H]2CCCN(Cc3ccc4c(c3)CCC4)C2)NC(=O)NC1=O 72300686 QYLWUIHGEVBSOO-LPHOPBHVSA-N 327.428 1.985 0 40 EDAB O[C@@H](CNn1cnnc1)COc1ccc(OCc2ccccc2)cc1 26770406 GATCSACNWYJYHX-INIZCTEOSA-N 340.383 1.841 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2nc3ccccc3s2)CC1 13704661 DPFZTSQGWXXYSF-UHFFFAOYSA-N 339.442 1.906 0 40 EDAB CCc1nnsc1C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 65393048 BCXPWRCWNWAFIK-QMMMGPOBSA-N 332.385 1.922 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H](OC[C@@H]2CCCO2)C(C)C)c(=O)[nH]1 65494691 OJTZRTAFQYTHAH-GOEBONIOSA-N 336.432 1.828 0 40 EDAB C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccncc1 65446515 XZYAPZYMCXITPP-NSHDSACASA-N 334.401 1.289 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)N2CCC(NS(C)(=O)=O)CC2)o1 65444288 DBMAQRAEJSPEHB-LLVKDONJSA-N 329.422 1.372 0 40 EDAB CCc1ccc(OC[C@H](O)CN(C)c2ncnc3c2cnn3C)cc1 65414332 MLIDCLOWGICZPA-CQSZACIVSA-N 341.415 1.802 0 40 EDAB Cc1ccccc1C(=O)NCCC(=O)N1CCN(C(=O)C2CC2)CC1 9385734 GHUMDJOPQRPGFF-UHFFFAOYSA-N 343.427 1.196 0 40 EDAB O=C1N(CCO)CCN1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 66794741 ZIDUKHAHDPKUQI-HNNXBMFYSA-N 341.358 1.026 0 40 EDAB CC(C)c1ccc(OCCC(=O)NCCNS(C)(=O)=O)cc1 67144392 PNZSTVWSAHQFKZ-UHFFFAOYSA-N 328.434 1.244 0 40 EDAB Cc1cc(F)cc2c1N(CC(=O)N1CCC[C@H](C(N)=O)C1)CCC2 96414885 LYJMKKXKFRTFLJ-AWEZNQCLSA-N 333.407 1.611 0 40 EDAB O=C(NCC1CCS(=O)(=O)CC1)NC[C@@H]1C[C@H]1c1ccccc1 96484961 WVVQHWFCMODSGT-HOTGVXAUSA-N 336.457 1.914 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 16046811 KJIFDWCZSQBUKU-CYBMUJFWSA-N 348.428 1.621 0 40 EDAB COc1cc(Cl)ccc1C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 71896317 SZPDCPPWDABHRX-SNVBAGLBSA-N 346.836 1.489 0 40 EDAB Cc1ncsc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 71863685 JVQFAYNAYQBEEB-HNNXBMFYSA-N 331.441 1.943 0 40 EDAB Cc1ccc(C(=O)NCCC(=O)NCCc2ccccn2)c(O)c1 69458218 RFHSEHJEWCWTMI-UHFFFAOYSA-N 327.384 1.574 0 40 EDAB CCn1c(C)cc(C(=O)NCCNC(=O)c2ccc(O)cc2)c1C 69489153 LGUGIFLBPVLSAK-UHFFFAOYSA-N 329.400 1.990 0 40 EDAB Cc1cnn(C[C@@H]2CN(C[C@H](O)COc3ccccc3C)CCO2)c1 69458756 HRLXJIRHYSAVGL-ROUUACIJSA-N 345.443 1.641 0 40 EDAB CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 69417781 WQFJGAUDJVVFKE-UONOGXRCSA-N 330.392 1.148 0 40 EDAB O=C(CNC(=O)c1cc(-c2ccccc2)on1)NO[C@H]1CCCCO1 69452744 RTTRSHGNCPZGNY-INIZCTEOSA-N 345.355 1.646 0 40 EDAB CCOC(=O)[C@](NCc1ccccc1OC)(NC(C)=O)C(F)(F)F 19939244 DARINAFSFGCDGD-AWEZNQCLSA-N 348.321 1.743 0 40 EDAB CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1ccncc1 69558389 HOFFPKXJWUWABE-UHFFFAOYSA-N 349.188 1.950 0 40 EDAB CCN(CCNC(=O)c1nn(-c2ccccc2)c(C)cc1=O)C1CC1 69615818 NGCUAKHZUKCSMO-UHFFFAOYSA-N 340.427 1.755 0 40 EDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(=O)n(CCOC)c1 69653930 YLEBGGIDHIYHPA-IRXDYDNUSA-N 347.459 1.584 0 40 EDAB C[C@H]1CN(c2ncnc3[nH]ccc23)CCN1c1ccc2nncn2n1 69667630 PLXVHXPRPFJYSK-NSHDSACASA-N 335.375 1.111 0 40 EDAB O=C(Cc1ccc(OCc2ccc3c(c2)OCCO3)cc1)NCCO 69744118 WMCGCNNUHRLIIG-UHFFFAOYSA-N 343.379 1.688 0 40 EDAB CC[C@H]1CN(Cc2cn3c(C)cc(C)nc3n2)CCN1CCOC 69779914 RSUMTHFKJHZWBK-KRWDZBQOSA-N 331.464 1.889 0 40 EDAB COc1ccc(C(=O)N2CCC(Nc3ccc(C)nn3)CC2)cn1 69899513 YRYABWYJVPZLSW-UHFFFAOYSA-N 327.388 1.905 0 40 EDAB CC(C)Oc1ccc(CNC(=O)CN(C)S(C)(=O)=O)cc1F 69811590 OVILFFJZXNGICP-UHFFFAOYSA-N 332.397 1.121 0 40 EDAB CN(CCNS(C)(=O)=O)C(=O)c1ccc(SC(F)F)cc1 69950818 HXVFPTQENSJWAG-UHFFFAOYSA-N 338.401 1.623 0 40 EDAB CCc1ccc(S(=O)(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)o1 8782472 ZAYQVACPYDWBKR-LLVKDONJSA-N 344.286 1.811 0 40 EDAB O=C(CNC(=O)N1CC(O)=Nc2ccccc21)NCc1ccncc1 8741320 KKJPREBZZCIFHV-UHFFFAOYSA-N 339.355 1.516 0 40 EDAB COc1cc(OC)c2c(C)c(CC(=O)NC[C@@H](C)O)c(=O)oc2c1 8764722 JHGCCVUQWBEHQG-SECBINFHSA-N 335.356 1.158 0 40 EDAB biogenic C[C@H](C(=O)N1CCOC[C@H]1CC(=O)c1ccco1)c1cnn(C)c1 95439926 PXJHOANDHZEBNI-GXTWGEPZSA-N 331.372 1.617 0 40 EDAB Cc1ncc(CN2CC[C@@H](NC(=O)c3ccc[nH]c3=O)[C@H](C)C2)s1 95400194 FUICGSUEQRPYSR-IAQYHMDHSA-N 346.456 1.780 0 40 EDAB Cc1noc(-c2cccnc2N2CCCN(CCN(C)C)CC2)n1 95403193 JBJQDPLVHMXXPH-UHFFFAOYSA-N 330.436 1.514 0 40 EDAB CC(C)(C)c1ccccc1C(=O)N1CC(n2cc(C(N)=O)nn2)C1 95997867 CJKZDIAVPZHGBU-UHFFFAOYSA-N 327.388 1.372 0 40 EDAB Oc1nncc(N2CC[C@H](OCCN3CCCCC3)C2)c1Cl 95974193 YVNMZEJVCCGXBN-LBPRGKRZSA-N 326.828 1.917 0 40 EDAB CCn1cc([C@H]2OCC[C@H]2CNCc2c(C)nn(CCO)c2C)cn1 89305991 TUSOCFSLDUJJHH-YJBOKZPZSA-N 347.463 1.576 0 40 EDAB Cc1cc(CN(CCO)CCN2CCOCC2)c2ccccc2n1 75094044 SBOOOAMZNYVYHY-UHFFFAOYSA-N 329.444 1.670 0 40 EDAB CCc1nnc2n1CCN(C(=O)Cc1nc(-c3ccco3)oc1C)C2 75129509 HWMGNEGTAFAZAW-UHFFFAOYSA-N 341.371 1.982 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 21634818 SXEHFZOGEUPOQA-GZBFAFLISA-N 336.457 1.989 0 40 EDAB Cc1cnn(CCC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)c1 178186177 YFZVJQIHJPKDOM-UHFFFAOYSA-N 342.447 1.774 0 40 EDAB CCOCCCNC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 408546779 VTFIEBQPJSLKGK-CQSZACIVSA-N 342.461 1.692 0 40 EDAB CCCN1CCO[C@]2(CCCC[C@H]2NS(=O)(=O)CC(C)C)C1 306142359 WWXFFBPBTSBTDP-HZPDHXFCSA-N 332.510 1.985 0 40 EDAB O[C@H](CNC[C@@H](O)COCc1ccccc1)COCc1ccccc1 36724576 RDMRJMNWVLCKJA-WOJBJXKFSA-N 345.439 1.731 0 40 EDAB C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CN1C1CC1 531484034 XOUCZZYEZQDKTB-CXTNEJHOSA-N 343.493 1.267 0 40 EDAB CN(C)C(=O)c1cc(NC(=O)NCc2cn3c(n2)CCCC3)ccn1 77722307 HYXSJUVQHGZMFI-UHFFFAOYSA-N 342.403 1.638 0 40 EDAB CC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 78611849 PARCPEUBJQLDEZ-MRXNPFEDSA-N 343.427 1.961 0 40 EDAB Cc1nnc(CN(C)CC(=O)N2CCc3c(Cl)cccc3C2)n1C 73891562 PNSJXCVAORCYRK-UHFFFAOYSA-N 347.850 1.794 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)N1CCN(c2ccccc2)CC1 38307042 QYRCQYYHOZLZJL-UHFFFAOYSA-N 348.406 1.745 0 40 EDAB CN1CCC(C(=O)NC[C@@H]2CCN(c3ncc(Cl)cn3)C2)CC1 1061620290 WPRRDRQMWUNNIP-LBPRGKRZSA-N 337.855 1.414 0 40 EDAB CN1CCN(Cc2ccc(C(=O)NC[C@@H]3CCCC[C@@H]3O)cc2)CC1 73932750 KTZBHLTWYXTKKQ-OALUTQOASA-N 345.487 1.715 0 40 EDAB Cc1cc([C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c(C)o1 1565519853 QBTNRVKOVURLMJ-ZDUSSCGKSA-N 346.339 1.413 0 40 EDAB Cc1nc2cc(-c3nccn3C)nn2c(N2CCC[C@H](CO)C2)c1C 72338528 KXFMEESULXOPOE-AWEZNQCLSA-N 340.431 1.955 0 40 EDAB COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(C)C2)sc1C(C)C 72406042 BOPYBLJICAMNBD-MRVPVSSYSA-N 325.390 1.470 0 40 EDAB Cc1nc2c([nH]1)CC[C@@H](C(=O)N1CCN(c3ccccn3)CC1)C2 225518690 WIQFBQAIQDVWOJ-CQSZACIVSA-N 325.416 1.567 0 40 EDAB Cc1noc(C)c1[C@@H](C)CNC(=O)[C@H]1COCCN1CC(F)(F)F 225805989 UGHXREVOMCJWCS-JOYOIKCWSA-N 349.353 1.774 0 40 EDAB COc1cc(NC(=O)NCc2ccnc(N(C)C)n2)cc(OC)c1 224237613 JUJPVVCOTBYELK-UHFFFAOYSA-N 331.376 1.882 0 40 EDAB COc1cc2c(cc1OC)S(=O)(=O)N(C[Si](C)(C)C)C2=O 195529953 BUSPESXKNGPFBV-UHFFFAOYSA-N 329.450 1.726 0 40 EDAB COC[C@H](NC(=O)Cc1ccc(Br)c(Cl)c1)C(N)=O 195577187 MJBJTTGKWMJNHJ-JTQLQIEISA-N 349.612 1.262 0 40 EDAB Cc1nnnn1-c1ccccc1C(=O)N[C@@H](CO)Cc1ccccc1 575443415 DUDYONZRTIYJEZ-OAHLLOKOSA-N 337.383 1.304 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1F 226744011 VVLWTLMHLGVLDL-UHFFFAOYSA-N 338.360 1.751 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)sc1Cl 225593375 GBDWOPQFJFWOJU-JTQLQIEISA-N 338.882 1.397 0 40 EDAB Cc1ccccc1-n1cc(C(=O)N2CCOC[C@@]23CCOC3)cn1 194433664 LLEFHEBJUULNFX-SFHVURJKSA-N 327.384 1.812 0 40 EDAB O=C(N1CCCC1)N1C[C@H](OCCCn2cccn2)[C@H]2OCCC[C@H]21 96065448 FQANUCAPQAPGQJ-IKGGRYGDSA-N 348.447 1.737 0 40 EDAB CC(C)Cn1cnc2c1[C@@H](C(=O)O)CN(C(=O)c1cccn1C)C2 96067858 WEJBLONRRNCYCU-LBPRGKRZSA-N 330.388 1.702 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cn(Cc3ccccc3)nn1)C2 97199088 ACDSMBBJVHLZMY-OAHLLOKOSA-N 336.399 1.576 0 40 EDAB O=C(c1ccncn1)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 96108175 IMFLTKHAZNGGRB-XJKSGUPXSA-N 344.440 1.511 0 40 EDAB CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1cccc(F)c1 96041570 RJZRAYVLASIOGA-LZLYRXPVSA-N 336.407 1.662 0 40 EDAB COC1([C@@H](C)NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCC1 334137287 ZJEUMZYQJPXFKF-LSDHHAIUSA-N 339.480 1.839 0 40 EDAB O=C(NCCC(=O)N1CCCC1)c1ccc(C(=O)c2cc[nH]c2)cc1 96451160 HWJPBFPEDKFZHK-UHFFFAOYSA-N 339.395 1.988 0 40 EDAB O=C(CC1CC1)NCc1cn2c(n1)CN(C(=O)c1ccoc1)CC2 96059446 CFHBFLUIBKJDBM-UHFFFAOYSA-N 328.372 1.548 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)cc(C)n1 96218320 QNYSBOMIPQXJRQ-ZWKOTPCHSA-N 329.444 1.881 0 40 EDAB Cc1cnc(C(=O)N2CCC3(CC2)C[C@@H](OCC2CC2)CO3)cn1 96073095 MRPUPFNRLLGNHC-OAHLLOKOSA-N 331.416 1.975 0 40 EDAB O=C(c1ccccn1)N1CCCn2nnc(COCC3CC3)c2C1 96058854 VTMAEKADGCYQFL-UHFFFAOYSA-N 327.388 1.646 0 40 EDAB Cc1cc(C(=O)NCCC(=O)NCc2ccccc2Cl)n(C)n1 96192645 VCIABJSLQOHYHQ-UHFFFAOYSA-N 334.807 1.818 0 40 EDAB O=C(c1cnccn1)N1CCC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 96222470 LENMKJGMVWUZSX-YJBOKZPZSA-N 340.383 1.714 0 40 EDAB C[C@H](NC(=O)N1CCS(=O)(=O)C[C@H]1C)c1ccc(F)c(F)c1 96417607 NBXDDTYEPAHAKB-ZJUUUORDSA-N 332.372 1.854 0 40 EDAB COc1ccc(CC(=O)N2Cc3nccn3C[C@H](CN(C)C)C2)cc1 96188232 JYGTZAYTAXPFNR-INIZCTEOSA-N 342.443 1.654 0 40 EDAB O=C(NCc1ccc(OC(F)F)cn1)N1CCC[C@@]2(CCNC2)C1 584042950 JHCCTJYGOLNFLG-INIZCTEOSA-N 340.374 1.968 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cn1cnc3ccccc3c1=O)C2 97198800 NOUYUGFBBRVWSR-CYBMUJFWSA-N 337.383 1.033 0 40 EDAB Cc1cnc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)cn1 96070082 KIFGTSGGZQXQGU-SJORKVTESA-N 325.416 1.567 0 40 EDAB Cc1cc(F)ccc1-n1cc(O)c(C(=O)N2CCc3[nH]ncc3C2)n1 96459145 YDNCMNZUFWYBLY-UHFFFAOYSA-N 341.346 1.947 0 40 EDAB O=C(c1cscn1)N1CCC2(C1)CN(C(=O)c1ccccn1)C2 96046447 CCAFDPCVXIUICY-UHFFFAOYSA-N 328.397 1.526 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)NC3CC3)C2)CC1=O 96239408 UAUSPWYFFGJVLQ-QGZVFWFLSA-N 332.404 1.588 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccccc3)C2)O1 96207100 FXWQYNFQSDMZSJ-DLBZAZTESA-N 338.473 1.749 0 40 EDAB CC(=O)N1C[C@@H](NC(=O)CCc2cnn(C)c2)CC[C@H]1C(F)(F)F 583618401 TWSVSYVKKXGISI-STQMWFEESA-N 346.353 1.411 0 40 EDAB CC(C)n1cc([C@@]2(O)CCCN(CCOCC(F)(F)F)C2)nn1 583617943 MKHOYBDJFXPCPW-CYBMUJFWSA-N 336.358 1.721 0 40 EDAB COc1cc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)on1 583621141 BPXJGTKDRFTGSL-BLLLJJGKSA-N 347.419 1.572 0 40 EDAB CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(CC1CC1)C2 96050202 ZMTQZWHLUQAROK-GOSISDBHSA-N 328.416 1.131 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nnc2cc(C)ccn12 95452252 JWFLSXUQXCPDJS-UHFFFAOYSA-N 348.432 1.697 0 40 EDAB CN(CC(C)(C)CN1CCOCC1)C(=O)Nc1ncncc1F 585086455 GBIBSLNUVUWGFQ-UHFFFAOYSA-N 325.388 1.438 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)ncn1 257200910 AFIFQQKWIZBBCQ-AWEZNQCLSA-N 341.415 1.471 0 40 EDAB O=C(c1cccc(-n2cnnc2)c1)N1CCO[C@H](c2cnccn2)C1 257341902 ZMJKXPBIGLTHLW-INIZCTEOSA-N 336.355 1.271 0 40 EDAB CN(C)Cc1cnn(-c2ccccc2C(=O)NCc2cn(C)cn2)c1 257253078 JXMICNNNTIJLFT-UHFFFAOYSA-N 338.415 1.597 0 40 EDAB COCC(=O)N1CCC[C@@](CCCc2ccccn2)(C(=O)N(C)C)C1 257320867 VYYDHXUGAYEGIE-LJQANCHMSA-N 347.459 1.748 0 40 EDAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3cccnc3C)C2)ncn1 257221257 DODXCDNMEKZVDY-SFHVURJKSA-N 341.415 1.250 0 40 EDAB CCn1nccc1-c1cc([C@H]2CCCN(S(C)(=O)=O)C2)nc(C)n1 257216994 CXAQBDQSLRMZFB-ZDUSSCGKSA-N 349.460 1.807 0 40 EDAB NC(=O)CN1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 257210782 BWDZDWUBWLLRDS-CQSZACIVSA-N 329.379 1.877 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)c3cc(C)c(C)nc3O)CCO2)n1 257247247 IYDGRIJUUTVVIW-AWEZNQCLSA-N 330.388 1.660 0 40 EDAB Cn1cc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cn1 252496271 PEXRYUKPLMQEAX-UHFFFAOYSA-N 334.401 1.457 0 40 EDAB O=C(CN1CCN(C[C@H](O)c2ccco2)CC1)NC1CCCCC1 85436886 OIRHRGXVJMDWTJ-INIZCTEOSA-N 335.448 1.380 0 40 EDAB O=C(NCc1ccc(F)cc1)N1CCN(C[C@H](O)c2ccco2)CC1 85466855 LQXRHSLAPRAQCR-INIZCTEOSA-N 347.390 1.980 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257207586 BIJYNTAZHQPHSY-IAGOWNOFSA-N 347.390 1.749 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O)c1cccc2c1OCCO2 257232013 GIZUAXWJFMCPCR-IIAWOOMASA-N 343.383 1.539 0 40 EDAB COCCOc1ccc(NC(=O)NC(C)(C)c2nc(C)no2)cn1 284671003 FROLMMCRUUTYCX-UHFFFAOYSA-N 335.364 1.855 0 40 EDAB CCS(=O)(=O)c1cc(F)ccc1NC(=O)N[C@H](CO)CCOC 282024215 SLHMFVXKPNIRFI-NSHDSACASA-N 348.396 1.138 0 40 EDAB CC[C@H](C)[C@@H](C(=O)Nc1n[nH]c(-c2ccccc2)n1)n1cnnn1 604419595 IKZCXBGPEZNHJQ-JQWIXIFHSA-N 326.364 1.684 0 40 EDAB CCc1ncc(C(=O)N(C)Cc2cc(C(=O)OC)c(C)o2)c(O)n1 1615549615 NVFNXYOVLVJGTL-UHFFFAOYSA-N 333.344 1.705 0 40 EDAB CCOC(=O)CCS(=O)(=O)N1CCC[C@H](c2ccncc2)CC1 1616037793 GDLFGLPELYNTLU-AWEZNQCLSA-N 340.445 1.934 0 40 EDAB O=C(NCCn1ccnc1-c1ncccn1)NCc1cccs1 96103928 ZPSPVAODJNBPKT-UHFFFAOYSA-N 328.401 1.901 0 40 EDAB Cc1nc2ccccn2c1C(=O)NCCn1cnc(C2CC2)cc1=O 390826853 CIDCHQJQGIKAPJ-UHFFFAOYSA-N 337.383 1.507 0 40 EDAB N#Cc1cccc(S(=O)(=O)N2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 390835324 KTWSYHFPPQHRJY-OAHLLOKOSA-N 346.412 1.416 0 40 EDAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCCC2)C3)[nH]1 585104214 MWLZVIWPZDDDTJ-OAHLLOKOSA-N 332.448 1.825 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ccnnc1 585288343 WDSINDAJUFXFKX-SUMWQHHRSA-N 332.404 1.155 0 40 EDAB Cc1cccc(OC[C@]2(O)CCN(C(=O)CCc3cnn(C)c3)C2)c1 585272217 MEXNODPGNRPCMS-IBGZPJMESA-N 343.427 1.704 0 40 EDAB CCOC[C@@H]1CN(C(=O)CCc2cncnc2)Cc2cn(C)nc21 585110985 OPFUZQFSFYTBPW-HNNXBMFYSA-N 329.404 1.305 0 40 EDAB COCCN1CC[C@]2(CN(Cc3cccnc3)CC(F)(F)C2)C1=O 585093205 JDGOBJWADGKYBA-INIZCTEOSA-N 339.386 1.788 0 40 EDAB O=C(CS(=O)(=O)C1CC1)N[C@@H]1COc2ccc3ccccc3c2C1 685939046 JFQROOADJXCBEZ-ZDUSSCGKSA-N 345.420 1.837 0 40 EDAB CC(C)(C)CNCc1ccc(S(=O)(=O)N2CCOCC2)cc1 66970573 AMUBOIBNNGYBAX-UHFFFAOYSA-N 326.462 1.843 0 40 EDAB COc1ccc(S(=O)(=O)NCC[S@@](=O)c2ccccc2)cc1 69627142 DIRFYAUQHUPWOR-NRFANRHFSA-N 339.438 1.781 0 40 EDAB Cc1cc(NC(=O)NC[C@H](CN(C)C)[C@H](O)c2ccccc2)n(C)n1 43432644 VQCQNJDJJSRLID-NVXWUHKLSA-N 345.447 1.761 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)NCc1nnc2n1CCCCC2 44770022 IJNLXTGXNDNWRO-UHFFFAOYSA-N 341.481 1.603 0 40 EDAB O=C1NCCC[C@H]1N1CCC(Cn2cnc3ccccc3c2=O)CC1 1776008126 ZZHCWGYAYCKSII-QGZVFWFLSA-N 340.427 1.387 0 40 EDAB CN(CCOc1ccccc1F)C(=O)NC[C@H]1CCS(=O)(=O)C1 45675642 BHCXCYLEEXSRQU-GFCCVEGCSA-N 344.408 1.281 0 40 EDAB Cc1cccc(-c2ccc(C(=O)NCc3nnc4n3CCC4)c(=O)[nH]2)c1 75120432 FKMZYWUUYWXMQK-UHFFFAOYSA-N 349.394 1.818 0 40 EDAB COCCOc1ccc(NC(=O)NC[C@](C)(O)CSC)cn1 75143751 BIDQRCWXRDLTAT-AWEZNQCLSA-N 329.422 1.342 0 40 EDAB O=C(CN1CCCCC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 57826969 NDMGZAJSGWVXCO-MRXNPFEDSA-N 342.505 1.821 0 40 EDAB CN(C[C@@H]1CN(Cc2cn3ccsc3n2)CCO1)c1cccnn1 83859324 VOAMLWBMALCKQN-CQSZACIVSA-N 344.444 1.523 0 40 EDAB CCC[C@H]1NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2)C1=O 42756924 HFIGANMFSLRXRE-WCQYABFASA-N 326.780 1.800 0 40 EDAB O=C1CN(S(=O)(=O)CCC(F)(F)F)CCN1c1ccccn1 1259870759 JLUFCRWGAOSJMV-UHFFFAOYSA-N 337.323 1.012 0 40 EDAB O=S(=O)(Cc1cccc(F)c1)N1CCN(c2nccs2)CC1 19293945 VJRONOAYRGKDQN-UHFFFAOYSA-N 341.433 1.934 0 40 EDAB CSCC[C@@H](NC(C)=O)C(=O)N1CCC[C@H](c2ccn(C)n2)C1 390831273 QVWPEHZZLIQKSU-DZGCQCFKSA-N 338.477 1.384 0 40 EDAB COc1ccc(C)cc1NC(=O)CNS(=O)(=O)c1cccs1 213735 OZAKECNJJXAWRO-UHFFFAOYSA-N 340.426 1.982 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1cn2ccccc2n1 4493037 IUIDREMFHJJRNH-UHFFFAOYSA-N 334.335 1.857 0 40 EDAB Cc1ccnc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)n1 1888854289 WJCXXZZCKMBVEP-TXEJJXNPSA-N 330.367 1.301 0 40 EDAB Cc1nc(C(=O)NCc2csc3ncnn23)cc(C(F)(F)F)n1 1888876000 KTRRNGAXMCAFDS-UHFFFAOYSA-N 342.306 1.838 0 40 EDAB CC(C)NC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 14121824 KGEGISWNLFMISY-UHFFFAOYSA-N 347.387 1.389 0 40 EDAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2CC(N)=O)cc1 23350420 OMSVENSUDIGNFE-UHFFFAOYSA-N 345.428 1.680 0 40 EDAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccn(C)n3)c2C)n1 24628073 IDWFWXLHAITKHX-UHFFFAOYSA-N 339.403 1.811 0 40 EDAB Cc1ccc(NC(=O)CN2CCCN(CC(=O)N(C)C)CC2)c(C)c1 24675443 VPYVLPZGGGTFFU-UHFFFAOYSA-N 346.475 1.338 0 40 EDAB COc1nccn2c(CNC(=O)Cn3ccc4ccccc43)nnc12 240122649 WEYYSJWWNQEWII-UHFFFAOYSA-N 336.355 1.404 0 40 EDAB Cc1cnn(CCN2CCN(c3ccnc(N4CCCC4)n3)CC2)c1 2087122375 KDIFQCIWTJLXQQ-UHFFFAOYSA-N 341.463 1.404 0 40 EDAB COC(=O)c1cc2c(nc1C)CCN(C(=O)CC1(O)CCC1)CC2 1565550305 YEVKFQPLWGLNCS-UHFFFAOYSA-N 332.400 1.409 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2ccc(C)c(F)c2)C1 2055771576 JFMLYEUHNZESQV-SFHVURJKSA-N 344.390 1.708 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2csc(C)n2)C1 2055772547 SYAGNFCEEPEXBB-HNNXBMFYSA-N 333.417 1.026 0 40 EDAB Cn1cccc1[C@H](CNS(=O)(=O)c1ccccc1)N1CCOCC1 21154166 LZQUKXIPJWTABP-KRWDZBQOSA-N 349.456 1.377 0 40 EDAB O=C(c1cccnc1)N1CC[C@H](Oc2ncc(Br)cn2)C1 618254082 BWECLYLRXASDBF-LBPRGKRZSA-N 349.188 1.928 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NCC[C@H](O)c1ccco1 77111720 JIRBMXNJUWRXOF-NSHDSACASA-N 329.349 1.829 0 40 EDAB O=C(NCC[C@H](O)c1ccco1)C(=O)Nc1ccc2c(c1)OCCO2 77112402 DKQWNJDMHPBYAB-LBPRGKRZSA-N 346.339 1.229 0 40 EDAB CC(C)Oc1ccc(C(=O)NCC(=O)NCCCn2cccn2)cc1 30169431 PKRSAIDUHKGPPY-UHFFFAOYSA-N 344.415 1.607 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1C[C@H](O)c1ccc(F)cc1F 51260143 ODFRSWHGXXZIEM-FZMZJTMJSA-N 328.340 1.426 0 40 EDAB Cc1cc2c(=O)n(C)c(=O)n(CC(=O)NCc3ccccc3)c2s1 32100931 ZNBKBNGCHHQVKV-UHFFFAOYSA-N 343.408 1.387 0 40 EDAB COc1ccc([C@H]2CCCN2CC(=O)N2CCC(C(N)=O)CC2)cc1 32768761 RERUMYXZUIEJJZ-QGZVFWFLSA-N 345.443 1.556 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc2cn[nH]c12 32939481 SCVNRUFCACVOEM-UHFFFAOYSA-N 335.323 1.205 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cnc2ccccc2c1 102741020 JEBANTWCELVJON-DSIZOQBWSA-N 347.374 1.980 0 40 EDAB CN1N=C(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)CCC1=O 33233103 HCCYNRFMDXKXMN-GFCCVEGCSA-N 326.360 1.001 0 40 EDAB CCOC(=O)c1cnc(-n2cc(C)cn2)nc1N1C[C@H](C)O[C@@H](C)C1 533003 PLGJGASZZKJDOZ-STQMWFEESA-N 345.403 1.761 0 40 EDAB CN(CCNC(=O)C1CCN(C(=O)C2CC2)CC1)Cc1ccccc1 53349493 NRORHSISKDBMIS-UHFFFAOYSA-N 343.471 1.883 0 40 EDAB O=C(c1ccnc(-n2cncn2)c1)N1CCN(c2nccs2)CC1 53792007 RPJONNHZTMSOLM-UHFFFAOYSA-N 341.400 1.081 0 40 EDAB Cc1cc(C)n2c(CCCNS(=O)(=O)c3ccccc3)nnc2n1 12321361 QWVGPHVUHWJIOV-UHFFFAOYSA-N 345.428 1.652 0 40 EDAB COc1ccc(OC)c(CN2CCN(C(=O)c3cnns3)CC2)c1 47624893 ASOPZOJLKLAECF-UHFFFAOYSA-N 348.428 1.513 0 40 EDAB O=C(NCc1cccnc1)C1CCN(c2ncnc3[nH]cnc23)CC1 9059990 RMVWPZZPCAPRQD-UHFFFAOYSA-N 337.387 1.281 0 40 EDAB C[C@H](NC(=O)CN1CCC(Cc2cccc(F)c2)CC1)C(=O)N(C)C 76711535 MVGRITUDWGEBRQ-AWEZNQCLSA-N 349.450 1.673 0 40 EDAB Nc1nccnc1C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 78727062 GIWBYTCZCBGYFN-GFCCVEGCSA-N 326.356 1.807 0 40 EDAB CN1C[C@@H](NC(=O)c2ccc(-c3nc(C4CC4)n[nH]3)cc2)CC1=O 79000422 GJLGEIDQCZSLPJ-ZDUSSCGKSA-N 325.372 1.310 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N1CCN([C@H]3CCOC3)CC1)C2 79103396 ISWIKBDJWKJEER-CVEARBPZSA-N 346.427 1.179 0 40 EDAB Cn1ccnc1[C@@H](NS(=O)(=O)N1CCCCC1)c1ccccc1 42676394 WDIWZPSTYOFTMY-HNNXBMFYSA-N 334.445 1.830 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cc1 24434808 SORLOXDVQIGRJS-MRXNPFEDSA-N 345.424 1.967 0 40 EDAB O=C(Cn1nc(O)c2ccccc2c1=O)NCCc1cccc(F)c1 7041159 SOUAWIIITMPMJY-UHFFFAOYSA-N 341.342 1.600 0 40 EDAB C[C@H](c1ccccc1)N1CCN(C(=O)CSc2n[nH]c(N)n2)CC1 24980496 RUDIZPOGKGRPIY-GFCCVEGCSA-N 346.460 1.384 0 40 EDAB O=C(Nc1cccnc1-n1cccn1)c1cccc(-n2cnnn2)c1 25010020 AIMBLIJNLDKIOC-UHFFFAOYSA-N 332.327 1.495 0 40 EDAB C[C@H]1COCCN1[C@H](C)CNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 106798530 UWMVWFQTWFOQSY-TYILLQQXSA-N 346.427 1.384 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)N1CCCC[C@H](N2CCCC2)C1 95393978 CPHAOWNFNZPARP-IRXDYDNUSA-N 338.496 1.367 0 40 EDAB NC(=O)C1CCN(C(=O)NCCOc2ccc(Cl)cc2)CC1 25989858 FORPAWMGPFUDQN-UHFFFAOYSA-N 325.796 1.626 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C1 25905374 PHBZRKQHVHKSCV-TZMCWYRMSA-N 338.429 1.298 0 40 EDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)NCCc1ccccc1 57363946 VCEBYEXKGTXIJK-UHFFFAOYSA-N 339.439 1.873 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3ccccc32)n(C)c1 27065714 BMKIORUVLJVMHR-OAHLLOKOSA-N 347.440 1.741 0 40 EDAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccco1 57878978 CGGVLVUQNDGBTD-HNNXBMFYSA-N 333.388 1.937 0 40 EDAB CC(=O)N1CCC(NC(=O)Cc2csc(-c3ccccn3)n2)CC1 48236127 VSSBEHATHKYBEY-UHFFFAOYSA-N 344.440 1.875 0 40 EDAB CCNC(=O)COC(=O)CCn1c(=O)oc2cc(Cl)ccc21 24045607 PLWBTNOMYDJMMM-UHFFFAOYSA-N 326.736 1.317 0 40 EDAB C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccccn2)CC1 44849122 WEQFQCASTCUCSE-AWEZNQCLSA-N 330.432 1.425 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)COc1ccc2c(c1)CCC(=O)N2 44840459 ZFOUXQNZIXCERV-HNNXBMFYSA-N 345.399 1.029 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)CN1CCCC1=O 100141349 GBEYGRHXEWUJSQ-JSGCOSHPSA-N 339.399 1.248 0 40 EDAB CCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 22273448 NENLJWQQUNPUIC-UHFFFAOYSA-N 325.217 1.896 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)COCc1ccccc1 44919677 PKWUEPCMVIUARC-HNNXBMFYSA-N 340.445 1.134 0 40 EDAB Cn1nnc2c1[C@H](COCc1ccccn1)CN([C@H]1CCOC1)C2 107723575 HFDXOIOBWDSANI-ZFWWWQNUSA-N 329.404 1.115 0 40 EDAB c1coc(CN2CCOC[C@@]3(CC[C@@H](CN4CCOCC4)O3)C2)c1 107739641 XOQYEXILRLOIFL-ZWKOTPCHSA-N 336.432 1.362 0 40 EDAB CN(C(=O)NCCc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1 48325742 HXHLPQFTGVCQTB-HNNXBMFYSA-N 347.440 1.606 0 40 EDAB C[C@H](NC(=O)c1cccs1)C(=O)N1CCC[C@H](N2CCCC2)C1 58919273 OKWUICYYJOIFDJ-KBPBESRZSA-N 335.473 1.953 0 40 EDAB CC[C@H](C)NC(=O)COc1ccc(N(CC)S(C)(=O)=O)cc1 10009953 ZSOOSUJRACOYHD-LBPRGKRZSA-N 328.434 1.766 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108526442 ZITMPRVRMQSJCV-CABCVRRESA-N 346.431 1.465 0 40 EDAB CC(C)[C@@H](NC(=O)CSC1=NCCN1)c1ccc2c(c1)OCCO2 12806587 PLAHVKKQNQXAAD-MRXNPFEDSA-N 349.456 1.964 0 40 EDAB Cn1ccnc1[C@](O)(CCNC(=O)NCc1ccoc1)C(F)(F)F 45715913 PEHYSMITKQAZNI-CYBMUJFWSA-N 346.309 1.653 0 40 EDAB Cn1ccnc1[C@@](O)(CCNC(=O)NCc1ccoc1)C(F)(F)F 45715910 PEHYSMITKQAZNI-ZDUSSCGKSA-N 346.309 1.653 0 40 EDAB O=C(C[C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 46786312 KYHSXOIZYURTAS-OAHLLOKOSA-N 332.400 1.629 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](Cc1ccccc1)N(C)C 47032520 DOCOJUKGHDYKQW-OAHLLOKOSA-N 337.445 1.743 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3CCN(c4ncccn4)[C@H]3CC2)no1 306135082 OHJYMUNXRKNMHO-HIFRSBDPSA-N 327.388 1.904 0 40 EDAB COC(=O)c1ccc(F)c(CN2CCN(Cc3nc(C)no3)CC2)c1 96004544 LJMWJKPUCIUPEV-UHFFFAOYSA-N 348.378 1.622 0 40 EDAB CCCCn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C 13814939 PCSDOUPSUNYIQQ-UHFFFAOYSA-N 347.463 1.466 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@H]2CCc3nccn3C2)nn1-c1ccccc1 65463109 DXJZNJUGOCIAIJ-AWEZNQCLSA-N 349.394 1.482 0 40 EDAB COC[C@H](O)CN(C)C(=O)N[C@H](c1ccccc1)c1nccn1C 65435106 MACHXCWJWKBWMS-HUUCEWRRSA-N 332.404 1.158 0 40 EDAB COc1ccc2c(c1)CN(Cc1nc3c(cnn3C)c(=O)[nH]1)CC2 65424027 ZGDLVZGZZOJLNC-UHFFFAOYSA-N 325.372 1.224 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)c2ccncc2)c1 65422285 DBCBEYSXFDASAU-LBPRGKRZSA-N 333.413 1.789 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2cccnc2OC)c1 65412899 NMILTEBONRKJRQ-CQSZACIVSA-N 347.371 1.963 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)[C@H]3Cc4ccccc4O3)CCO2)n1 84630835 LARXYWVLBZEZHP-HUUCEWRRSA-N 342.399 1.832 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)Nc2cccc(NC(=O)CO)c2)c1 65502179 RWESSPHFLWRKLU-UHFFFAOYSA-N 338.360 1.866 0 40 EDAB C[C@H](NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1ccccn1 65562418 MTKXNUQLALRJTH-LBPRGKRZSA-N 338.367 1.731 0 40 EDAB O=S1(=O)N[C@@H](Cc2ccc3c(c2)OCO3)[C@@H](O)c2ccccc21 9483158 HLYJFIKEMXFAJO-LRDDRELGSA-N 333.365 1.352 0 40 EDAB CCOC(=O)c1nnc2c(-c3ccc(OC)cc3)c(C)nn2c1N 6760321 JNTOVERCRPTOGS-UHFFFAOYSA-N 327.344 1.867 0 40 EDAB COC(=O)c1ccccc1S(=O)(=O)NNc1cccc(Cl)n1 5720017 WMNLCPPWJJGKER-UHFFFAOYSA-N 341.776 1.827 0 40 EDAB O=C1CN([C@H]2CCS(=O)(=O)C2)C(=S)N1c1ccc(Cl)cc1 5937726 LBCUNAKJADVYCN-NSHDSACASA-N 344.845 1.461 0 40 EDAB COC(=O)c1ccc2c(=O)n(N)c(SCc3cccnc3)nc2c1 71768718 NQSABYJIMOMADN-UHFFFAOYSA-N 342.380 1.584 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)CN2CCSC2=O)Oc2ccccc21 7257436 IPAJDWRJFMTSIN-CYBMUJFWSA-N 349.456 1.901 0 40 EDAB CCCN(C)c1ncc(S(=O)(=O)c2ccc(OC)cc2)c(N)n1 71772101 DQEHERCRUCDLGV-UHFFFAOYSA-N 336.417 1.746 0 40 EDAB CCN1CCO[C@@H](C(=O)Nc2cccc(-n3c(C)c[nH]c3=O)c2)C1 96444672 JTWIRUPWSHOHMU-OAHLLOKOSA-N 330.388 1.133 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)N[C@H]1CCN(c2ccccc2)C1=O 68201090 ZMQXWQXQGQDLAK-AWEZNQCLSA-N 347.415 1.823 0 40 EDAB O=C(COC(=O)c1ccc[nH]c1=O)NCC12CC3CC(CC(C3)C1)C2 16045601 HPADYPHGIXKPFD-UHFFFAOYSA-N 344.411 1.864 0 40 EDAB CCOC(=O)NCCC(=O)N1CSC[C@@H]1C(=O)NCCC(C)C 68365463 QSVDOIGIGVJQFG-GFCCVEGCSA-N 345.465 1.186 0 40 EDAB NC(=O)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 7769938 FILXXCLFKZKUGI-UHFFFAOYSA-N 348.362 1.694 0 40 EDAB Cc1cccc2nc(CNC(=O)c3ccccc3OCC(N)=O)cn12 68570362 HIKJNMXGVLYJIU-UHFFFAOYSA-N 338.367 1.437 0 40 EDAB O=C(OCc1ccccc1)[C@H]1CCCN1CC(=O)N1CCOCC1 68858740 ZKLWQFLYQNIRKQ-MRXNPFEDSA-N 332.400 1.053 0 40 EDAB O=C(N[C@H]1CCCS(=O)(=O)C1)c1cncc(Br)c1 69144833 WSIJNHVLVKATQN-JTQLQIEISA-N 333.207 1.151 0 40 EDAB CC(C)N(CC(N)=O)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 71810969 VLRXNWDCFFOQRE-NSHDSACASA-N 327.375 1.680 0 40 EDAB Cc1nnc2ccc(N3CCN(Cc4cn5ccccc5n4)CC3)nn12 69370483 ZDBNIBCKCGNUEN-UHFFFAOYSA-N 348.414 1.403 0 40 EDAB Cc1noc([C@H](C)N2CCN(Cc3nnsc3Cl)CC2)n1 69414640 GHGMYUYLUBQZNF-QMMMGPOBSA-N 328.829 1.762 0 40 EDAB COC[C@H](C)NC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 69438898 VOJOCJDYNXFFMT-HNNXBMFYSA-N 348.447 1.059 0 40 EDAB Cc1cc(CN2CCSCC2)ccc1NC(=O)c1n[nH]c(O)n1 69593800 LCUMHNAJWNMWFZ-UHFFFAOYSA-N 333.417 1.620 0 40 EDAB CC1(C)Cc2ccc(C(=O)Nc3nc(CC(N)=O)cs3)c(O)c2O1 69538183 VYDJCOAUIHKUKN-UHFFFAOYSA-N 347.396 1.842 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)NCc2ccccn2)n1 69521459 XWRGTSBYUARKCJ-MRXNPFEDSA-N 328.420 1.071 0 40 EDAB CC(C)[C@H](NC(=O)CNC[C@@H]1CN(C)CCO1)c1cccs1 69652993 JPKJJOHCSHULDR-CJNGLKHVSA-N 325.478 1.482 0 40 EDAB CN(C)c1cccc(C(=O)N[C@H]2CCN(C(=O)c3ccncc3)C2)c1 83855357 VNMGVHVBHLALTL-INIZCTEOSA-N 338.411 1.792 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)C[C@@H]3CCCCN3C(C)=O)CCO2)n1 83829859 KCCSCTOMGQFUMP-KBPBESRZSA-N 349.435 1.058 0 40 EDAB CCOc1ccnc(N2CCCN(Cc3ccc(CO)o3)CC2)n1 91959507 BKOPNYIYOGMQMT-UHFFFAOYSA-N 332.404 1.673 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)[C@@H](C)Cn2cccn2)CC1 69770454 IQWCSJRQNFLCBJ-INIZCTEOSA-N 344.463 1.470 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)C2(c3ccccc3C)CC2)CC1 69977921 NDIMJMMSSKACNJ-QGZVFWFLSA-N 346.471 1.568 0 40 EDAB COCCN1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1=O 95454100 QTYSBXCZBVFUKY-UHFFFAOYSA-N 334.460 1.910 0 40 EDAB COc1cccc([C@H](O)C(=O)OCc2cc(=O)n3ccccc3n2)c1 69917331 JZQSPWCSHPZHIJ-KRWDZBQOSA-N 340.335 1.480 0 40 EDAB CNC(=O)CN(C(=O)c1ccn2cncc2c1)c1cccc(F)c1 95453764 MIXUVFFCUXFJTK-UHFFFAOYSA-N 326.331 1.866 0 40 EDAB Cc1ccc([C@H]2CN(C(=O)NCc3nnc4ccccn34)CCO2)o1 95437483 BWHPJWNJHAKGEW-CQSZACIVSA-N 341.371 1.914 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cc(-c2ccccc2)nn1 95416843 GFHWBBAEDQRWDZ-MRXNPFEDSA-N 349.394 1.158 0 40 EDAB COC[C@](C)(CC(=O)O)NC(=O)CCCOc1ccccc1F 95464090 FRHVKLXPDPJYNK-INIZCTEOSA-N 327.352 1.981 0 40 EDAB O=C1CN(C[C@@H](O)COC(c2ccccc2)c2ccccc2)CCN1 8945064 BFGNTLXIKBVJIA-GOSISDBHSA-N 340.423 1.585 0 40 EDAB COc1ccc(F)c(NCc2cnc(N3CCN(C)CC3)nc2)c1 95448802 NKLAPRMWPCYKRZ-UHFFFAOYSA-N 331.395 1.988 0 40 EDAB CC(C)Cn1cnnc1[C@@H]1CCCN1CCC(=O)N1CCOCC1 72291849 GJSIUSPNEFUYDN-HNNXBMFYSA-N 335.452 1.320 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C(C)C)N1C[C@H](C)O[C@H](C)C1)C2 72279426 UUNYBGVMCLZBRK-UIBIWLFHSA-N 348.491 1.756 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 72281009 JEUHUCREEBCVSK-GXFFZTMASA-N 342.465 1.028 0 40 EDAB CCOC(=O)CN1CCC[C@@H](OC(=O)c2cccc3c2OCCO3)C1 72310677 YZGZVRGMZSNHKZ-CYBMUJFWSA-N 349.383 1.642 0 40 EDAB Cc1cc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)no1 95947610 PHMCYIQKWCJWAU-UHFFFAOYSA-N 330.436 1.619 0 40 EDAB COc1ccsc1S(=O)(=O)NCCc1cn2c(n1)CCCC2 95966093 YNTNJEKWOGUHPC-UHFFFAOYSA-N 341.458 1.811 0 40 EDAB CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CCCN(Cc2ccccc2)C1 74448287 WERYVQQOQABCEQ-MRXNPFEDSA-N 340.427 1.517 0 40 EDAB Cc1nsc(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)n1 89721389 PTRIGHVCVNIOOG-UHFFFAOYSA-N 341.444 1.694 0 40 EDAB Cc1nn(C)c(C)c1OCC(=O)N1CCC(O)(C(F)(F)F)CC1 89949984 ZSMYWTGDFAYUHL-UHFFFAOYSA-N 335.326 1.332 0 40 EDAB CCN(C1CCN(C(=O)NCc2ccsc2)CC1)S(C)(=O)=O 66908988 SIGILIMHDPIHRA-UHFFFAOYSA-N 345.490 1.704 0 40 EDAB CC(=O)Nc1cc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)ccc1F 521394455 JHCAJGTYUBHTQO-ZUZCIYMTSA-N 343.424 1.497 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)C1CCN(c3cnccn3)CC1)C2 72278982 WKCOKSKSLQSYRI-OAHLLOKOSA-N 340.431 1.329 0 40 EDAB CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O 77263862 IZDILAHNFPUJST-NFAWXSAZSA-N 348.434 1.835 0 40 EDAB biogenic,in-vitro CCN(CC)C(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 216342949 GGYPHFPOJNSWPP-UHFFFAOYSA-N 340.445 1.331 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NCc2cccnc2)[C@@H]1O)Nc1ccccc1 77265151 LLOMGTSPXDDZDW-ZACQAIPSSA-N 342.399 1.121 0 40 EDAB biogenic,in-vitro Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cccc(-n2cnnn2)c1 72242557 DSSYWYZCQVVNTD-INIZCTEOSA-N 335.371 1.568 0 40 EDAB C[C@@H](Cn1nnc2ccccc21)NC(=O)c1cnc(N(C)C)nc1 72389537 DWTWCXMQIIFFPY-NSHDSACASA-N 325.376 1.106 0 40 EDAB COc1cccc(NC(=O)NCC/N=C(\O)c2ncccc2O)c1 75137054 IFSJFZWKPQZQOU-UHFFFAOYSA-N 330.344 1.922 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(OCC(=O)NC2CC2)cc1 71284408 GZMNYLNKLUYGCE-HUUCEWRRSA-N 346.383 1.639 0 40 EDAB CN1C(=O)N(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)C(=O)C12CCCCC2 71285523 BYGPLNJADXUEPM-ILXRZTDVSA-N 345.443 1.912 0 40 EDAB COc1ccccc1C(=O)N1[C@@H](C(=O)O)COC12CCN(C)CC2 71980054 CGPRUHPNJCPYQM-CYBMUJFWSA-N 334.372 1.043 0 40 EDAB CC(C)(C)c1nc(CSCC(=O)N[C@@H]2CCCCNC2=O)no1 78555739 KBEPZMKEDJKYFI-SNVBAGLBSA-N 340.449 1.385 0 40 EDAB CCS(=O)(=O)NCCN(CCO)[C@@H]1CCCc2ccccc21 79311565 DVGNTDBIPLERHE-MRXNPFEDSA-N 326.462 1.298 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](C)Oc2cnc3ccccc3c2)CC1 187886674 KCDYRORJCGJEBP-ZDUSSCGKSA-N 327.384 1.693 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)Nc2nccs2)[C@H]1c1cccc(F)c1 72241756 KKNSJCSBPBLYDK-CHWSQXEVSA-N 335.360 1.819 0 40 EDAB Cc1nnc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)s1 83955843 SSALORZJEFEHFH-UHFFFAOYSA-N 339.377 1.972 0 40 EDAB CC(C)(CC(=O)N[C@H]1CCN(C(N)=O)C1)CC(=O)c1ccccc1 225665770 UOCSSTSRHQGSKC-AWEZNQCLSA-N 331.416 1.945 0 40 EDAB CN(C)c1ncccc1O[C@@H]1CCN(c2nccn3cnnc23)C1 225575099 FEDVHGNVPCYJHK-GFCCVEGCSA-N 325.376 1.243 0 40 EDAB CCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCCN1CCOCC1 222751165 BAWRKBUGWPVHJQ-INIZCTEOSA-N 347.459 1.262 0 40 EDAB COc1cc(C(=O)NS(=O)(=O)Cc2cccc(F)c2)cc(C)n1 225725262 CKWOFBOLFNWDRL-UHFFFAOYSA-N 338.360 1.798 0 40 EDAB Cn1ncc(C(=O)NC[C@@](C)(O)c2cccs2)c1-n1cccc1 80878913 CRSPPQAWMVSSTR-MRXNPFEDSA-N 330.413 1.910 0 40 EDAB O=S(=O)(CCN1CCO[C@@H](c2nccs2)C1)c1ccccc1 97203678 JVZYUWFSMSMETH-CQSZACIVSA-N 338.454 1.990 0 40 EDAB O=C(c1cocn1)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1 96220412 NUCOLECJGDLIHK-CXAGYDPISA-N 328.372 1.945 0 40 EDAB O=C(c1cnccn1)N1C[C@@H]2CCCO[C@@H]2[C@H](Nc2ccccn2)C1 96040693 PGJHQNPZSKEWEU-LXZKKBNFSA-N 339.399 1.603 0 40 EDAB Cc1oncc1C(=O)N1CCc2ncnc(-c3cnn(C)c3)c2CC1 96083961 KUYAZAKBQHUDPE-UHFFFAOYSA-N 338.371 1.415 0 40 EDAB Cn1cc(C(=O)N2CC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)cn1 96208991 ZHKYQBCQZYGCBQ-PBHICJAKSA-N 328.372 1.268 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Cc2cncnc2)cc1 583621045 PYCCBGNQOJXPSN-IEBWSBKVSA-N 341.411 1.926 0 40 EDAB CN(C)C(=O)CN1CCCC[C@@]12CCN(C(=O)c1ccccc1)C2 96203132 IVUCKNKLUUDDGL-IBGZPJMESA-N 329.444 1.845 0 40 EDAB C[C@@]1(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)CCCN1 580776081 LSDDBLNIFAQSFY-SFHVURJKSA-N 325.416 1.353 0 40 EDAB CS(=O)(=O)N1CC[C@@H](CN[C@@H]2CCCOc3ccc(F)cc32)C1 90797212 DRJWUCMZZZYQDQ-SWLSCSKDSA-N 342.436 1.911 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2OC[C@@H](CC(=O)N3CCCCO3)[C@H]2C1 96215633 CVPROWLWZCQYTJ-DJIMGWMZSA-N 349.431 1.682 0 40 EDAB O=S(=O)(c1ccccc1)N1CCn2cc(CN3CCCC3)nc2C1 96197231 FPFUAAUWICEXIU-UHFFFAOYSA-N 346.456 1.683 0 40 EDAB CC[C@@H](NCC(=O)N[C@@H]1CCCCNC1=O)c1ccc(F)cc1F 96491947 XKWRPVGBKUHRLO-HUUCEWRRSA-N 339.386 1.790 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)C2 97199029 LUUUDGMTSSFTLN-ZDUSSCGKSA-N 339.461 1.370 0 40 EDAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCc1cccnc1 95477525 FJOOEQRNXPPZDS-UHFFFAOYSA-N 326.331 1.555 0 40 EDAB O=C(c1cccnc1)N1CCOC[C@@]2(CCN(c3ccccn3)C2)C1 96202263 XBSVIEHVDTUBIK-LJQANCHMSA-N 338.411 1.846 0 40 EDAB CCOCC(=O)N1CC2(C[C@H](CCOc3ccccn3)CCO2)C1 248241064 BQRBAOGHQNMJEU-OAHLLOKOSA-N 334.416 1.895 0 40 EDAB COc1ccccc1[C@@H](C)N1CCN(C(=O)c2cncn2C)CC1 585084526 LWXTWWPYHFMBLE-CQSZACIVSA-N 328.416 1.948 0 40 EDAB CC(C)(C)OC(=O)CCC(=O)N1CCN(CCCCCO)CC1 585135417 INYTWQQQCOGBKB-UHFFFAOYSA-N 328.453 1.415 0 40 EDAB Cc1cc(C)n(CC(=O)NCc2cnc([C@H]3CCCCO3)nc2)n1 257309474 UBBKKNWYADWEET-OAHLLOKOSA-N 329.404 1.848 0 40 EDAB CCOc1cc(C)ccc1CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1 252485807 HEVBJCYZWMITNR-CQSZACIVSA-N 340.445 1.722 0 40 EDAB CCn1cc(C(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)cn1 257209994 BSRWQYIUOQIEJW-GOSISDBHSA-N 343.431 1.402 0 40 EDAB CN1CCN(Cc2ccc(Br)cc2)C[C@@H](C(N)=O)C1 257312319 UNJNFXAGQXNVSX-LBPRGKRZSA-N 326.238 1.298 0 40 EDAB O=C(Cn1cnnn1)Nc1ccc(CN2CCc3ccccc32)cc1 69896448 WMHQZTUUQQXTFL-UHFFFAOYSA-N 334.383 1.875 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cn[nH]c2)C[C@H]1c1ccccc1 257246567 IURZPOFQMMVAPN-HNNXBMFYSA-N 334.401 1.004 0 40 EDAB CNc1cc(CC[C@@H]2CN(C(=O)c3cccnn3)CCO2)ccn1 257244212 IKJXTSVKSYLIHW-CQSZACIVSA-N 327.388 1.387 0 40 EDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N1CCOCC1 26298220 VIZDECHNFNYKRM-CQSZACIVSA-N 329.404 1.119 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257304532 SMCBLAHROIAOCO-IAGOWNOFSA-N 329.400 1.610 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(C(=O)c3cc[nH]n3)CCO2)ccn1 257312792 UPMRHTXVDQMBML-AWEZNQCLSA-N 329.404 1.345 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)NC[C@@]1(O)CCN(c2ccccn2)C1 257234062 GRXJKUXORBSWDN-SFHVURJKSA-N 343.431 1.112 0 40 EDAB O=C(NCc1ccnc([C@@H]2CCCO2)n1)c1ccc2c(c1)OCO2 257342922 ZQPWKXHKBXBQRO-AWEZNQCLSA-N 327.340 1.987 0 40 EDAB C[C@H](C(=O)O)C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 1602806609 PGRPFGZLADRXBJ-YFKPBYRVSA-N 332.234 1.696 0 40 EDAB COC[C@]1(C(=O)O)CCN(C(=O)N[C@H](C)Cc2cccc(O)c2)C1 635508552 VLXDAFBWAITZBE-PXAZEXFGSA-N 336.388 1.456 0 40 EDAB COC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](C)n1cnc2c(N)ncnc21 597799903 YEPKLSFCYQTHDG-ZJUUUORDSA-N 348.407 1.064 0 40 EDAB CCO[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2NCCO)C1 1615046245 JZLKEBQYUVDBTP-ZDUSSCGKSA-N 346.424 1.420 0 40 EDAB O=C([C@H]1NCC12CCCC2)N1CCn2cnc(C(F)(F)F)c2C1 1615550633 YMQSJWQCEJBPRH-GFCCVEGCSA-N 328.338 1.776 0 40 EDAB CO[C@@H](C)CS(=O)(=O)Nc1ccc(-n2ccc(O)n2)c(F)c1 1615553255 VWKCMMGPQTVDBO-VIFPVBQESA-N 329.353 1.494 0 40 EDAB CCOC(=O)c1nccc(N2CCC[C@H](NCC(F)(F)F)C2)n1 1615585929 OAUQSJDMAJICNO-JTQLQIEISA-N 332.326 1.774 0 40 EDAB CS(=O)(=O)NC[C@@H]1CN(Cc2cccc(F)c2)Cc2ccnn21 585112323 OPHXVHRBUNZIMY-OAHLLOKOSA-N 338.408 1.128 0 40 EDAB Cc1nc2cc(NC(=O)Nc3ccnn3C)ccc2n1C(CO)CO 585141324 STRCHNPVFCLZDP-UHFFFAOYSA-N 344.375 1.248 0 40 EDAB CC(C)n1nccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 31845623 URHFIJUSXNDJLQ-UHFFFAOYSA-N 348.384 1.247 0 40 EDAB C[C@H](c1ccccc1F)N(Cc1cc(=O)n(C)c(=O)n1C)C1CC1 71817085 NXZABWVNLGEXDR-GFCCVEGCSA-N 331.391 1.949 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1776001873 OYDLPLIYDKITLB-OAHLLOKOSA-N 341.411 1.672 0 40 EDAB O=C(NCCC(=O)N1CCOCC1)c1sccc1Br 48193332 UJBJRTXHBZNBAH-UHFFFAOYSA-N 347.234 1.489 0 40 EDAB CS(=O)(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 49982676 XHJMKVIQRJFKCN-UHFFFAOYSA-N 331.869 1.401 0 40 EDAB COc1cccc(CN(C)Cc2nc(O)c3cnn(C)c3n2)c1OC 54417704 VIVGUJSXJHDYOK-UHFFFAOYSA-N 343.387 1.718 0 40 EDAB Cc1cc(C)c(CNC(=O)N[C@@H]2COc3ccccc3C2)c(=O)[nH]1 75117965 SORVEWYJBPVBDV-AWEZNQCLSA-N 327.384 1.795 0 40 EDAB COc1ncccc1CNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 40498493 MQLCELXJRPNICA-UHFFFAOYSA-N 349.412 1.284 0 40 EDAB Cc1c(C(=O)OCCn2cc(Br)ccc2=O)cnn1C 97034399 WQTDGAOXQAXXBI-UHFFFAOYSA-N 340.177 1.510 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)C1CC1)n2CC 5109479 SEGJMBRGICZLAF-UHFFFAOYSA-N 334.376 1.160 0 40 EDAB Cc1cc(C)n(CC(=O)NCCc2nc(-c3ccncc3)n[nH]2)n1 12115839 FLZZQNDFOPETPZ-UHFFFAOYSA-N 325.376 1.039 0 40 EDAB Cc1sc2nc(C3CC3)n3c(=O)n(CC(=O)N(C)C)nc3c2c1C 12182043 RZVTZAYNPHSVJE-UHFFFAOYSA-N 345.428 1.688 0 40 EDAB CCn1cc(S(=O)(=O)N2CC[C@](O)(c3ccccc3)C2)c(C)n1 12362606 JSEOOSPIMGBPRC-MRXNPFEDSA-N 335.429 1.494 0 40 EDAB Cc1cccc(NC(=O)[C@H](C)OC(=O)CCCN2C(=O)CNC2=O)c1 14184343 NVQFGLHLTJHSCX-LBPRGKRZSA-N 347.371 1.197 0 40 EDAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)C(C)C)CC1 14257844 POGODIRKTMWHKV-UHFFFAOYSA-N 348.472 1.824 0 40 EDAB COC(=O)c1cccc(NC(=S)NCCCN2CCOCC2)c1 16282946 LAGRTYNRPDCGIF-UHFFFAOYSA-N 337.445 1.482 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccccc2)cc1 17357479 DVQKDJFNMNIEFN-UHFFFAOYSA-N 346.452 1.886 0 40 EDAB CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)c1ccccn1)C2 19707346 BBEIOBODNJHHEF-ZDUSSCGKSA-N 338.415 1.536 0 40 EDAB CC1=NN(CCC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1 19746143 FVLNNDYOAWQIKI-UHFFFAOYSA-N 346.435 1.352 0 40 EDAB CCNC(=O)[C@@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 6930395 URTWWRAKBXFHCN-SNVBAGLBSA-N 343.412 1.726 0 40 EDAB O=C1CCCN1Cc1cn(C2CN(C(=O)Cc3ccsc3)C2)nn1 225632401 GRCGJEQNBKVKNY-UHFFFAOYSA-N 345.428 1.088 0 40 EDAB C[C@H](C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C)N1CCOCC1 19079745 QKNKQMLEXIMPKU-CJNGLKHVSA-N 346.406 1.486 0 40 EDAB CCOC(=O)[C@@H](C)NC(=O)COc1ccc(Br)cc1 3070484 SCLWZXFZGNADFC-SECBINFHSA-N 330.178 1.896 0 40 EDAB C[C@H](OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(N)=O 4789953 BFXNDMSYZYTACJ-LBPRGKRZSA-N 326.352 1.994 0 40 EDAB Cc1sc2ncnc(N3CCC(C(=O)OCC(N)=O)CC3)c2c1C 5216974 RXZNAEWPVDHTTR-UHFFFAOYSA-N 348.428 1.553 0 40 EDAB Cc1nc(N2C[C@@H]3CN(c4cc(=O)n(C)c(O)n4)C[C@H]3C2)sc1C 1888833983 AGXFJKIJMLZFRB-RYUDHWBXSA-N 347.444 1.132 0 40 EDAB O=C1CC[C@@H](C(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)CN1 1888843468 ZTTPYNPQWPSYJK-GXTWGEPZSA-N 344.415 1.108 0 40 EDAB Cn1cnc2c(N3C[C@@H]4CN(C(=O)CC5CC5)C[C@H]4C3)ncnc21 1888866808 UJDJYDLPOOJHPL-STQMWFEESA-N 326.404 1.058 0 40 EDAB Cc1cc(N2CCN(c3ncnc4c3CCC4)CC2)n2nc(C)cc2n1 1889148741 SCFPCZSYIPFGMY-UHFFFAOYSA-N 349.442 1.951 0 40 EDAB CCN=c1nc(N2CCN(c3cnc4ccccc4n3)CC2)cc(C)[nH]1 1889186468 DARMFGJGTZUUDL-UHFFFAOYSA-N 349.442 1.909 0 40 EDAB Cn1nc2c(cc1=O)C[C@H](C(=O)Nc1ccc(-n3ccnc3)cc1)CC2 238846321 IKGULJMNJVALLC-CYBMUJFWSA-N 349.394 1.710 0 40 EDAB CSc1ncccc1C(=O)N1CCC(N2C(=O)COC2=O)CC1 240067793 SCCINGOYJDWEPU-UHFFFAOYSA-N 335.385 1.387 0 40 EDAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)[C@H]1CCOC1 245131269 VLUIQLWBIKRPLX-JTQLQIEISA-N 329.385 1.506 0 40 EDAB Cn1cnc(C(=O)N2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)n1 1565554881 JAWZSFCYSWUANO-KRWDZBQOSA-N 343.362 1.223 0 40 EDAB O=c1[nH]c(COc2nsnc2N2CCOCC2)nc2ccccc12 6658538 DYRFMDZMYVXTQM-UHFFFAOYSA-N 345.384 1.190 0 40 EDAB O=C(CCCNS(=O)(=O)c1ccccc1)NCc1cccnc1 7572440 HOATYRPYWMYMPJ-UHFFFAOYSA-N 333.413 1.457 0 40 EDAB CCOc1nn(CC)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1 9070130 QCXJTHVVGRKFIQ-UHFFFAOYSA-N 346.387 1.493 0 40 EDAB COc1ccccc1CNc1c(C)cnc2c1c(=O)n(C)c(=O)n2C 12226722 NOFIRNWZCLBOEP-UHFFFAOYSA-N 340.383 1.561 0 40 EDAB Cc1cccc(CN[C@@H]2CCc3onc(CNS(C)(=O)=O)c3C2)c1 2055731583 HJXKIINVOZWVCV-CQSZACIVSA-N 349.456 1.679 0 40 EDAB O=c1c2cc3c(cc2[nH]c(=S)n1CCCN1CCOCC1)OCO3 20644389 UDAGHCAWULSKSW-UHFFFAOYSA-N 349.412 1.510 0 40 EDAB O=C(Nc1nccs1)c1cn(C[C@@H]2CCCO2)cc2c(=O)[nH]nc1-2 38670622 CDVASVUSDHOJJR-VIFPVBQESA-N 345.384 1.564 0 40 EDAB O=C(/C=C/c1ccc(Cl)cc1)N1CC(CN2C(=O)COC2=O)C1 575615302 DBWQBVCUGMFFCP-ZZXKWVIFSA-N 334.759 1.790 0 40 EDAB O=C(C1CN(c2ncnc3ccc(Cl)cc23)C1)N1CCOCC1 2298210812 VYENSYFWQQSTFU-UHFFFAOYSA-N 332.791 1.578 0 40 EDAB CC(C)N(C)C(=O)C1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 30273217 BJPBXASTHZLMFG-LBPRGKRZSA-N 349.483 1.160 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N[C@@H](c1ccccc1)C1CC1 31036381 HHLKVHWADLRDKH-SFHVURJKSA-N 349.390 1.957 0 40 EDAB CCCc1nnc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 100641882 VPEGOZPEWSTGEE-WTTBSCSTSA-N 346.412 1.236 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1cncn1-c1ccc(F)cc1 40554793 NBTXPEZEJWFJMF-UHFFFAOYSA-N 348.359 1.437 0 40 EDAB Cc1cc(C)n(CCCNC(=O)c2ccc(CNC(N)=O)cc2)n1 20918621 KHSUGKUCOKKWAS-UHFFFAOYSA-N 329.404 1.488 0 40 EDAB O=C(CN1CCO[C@@H]2CCCC[C@@H]21)N1CCN(c2ccccn2)CC1 51994361 LHDHFVFDOFTWTM-DLBZAZTESA-N 344.459 1.374 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)CSc2cn[nH]n2)n1 32697152 DATBFBOIMCXOCU-UHFFFAOYSA-N 327.391 1.098 0 40 EDAB Cc1cc(NC[C@@H](c2cccs2)N2CCOCC2)n2ncnc2n1 32717180 SHEFRLSGPMIOED-ZDUSSCGKSA-N 344.444 1.980 0 40 EDAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCC1CC1 32955970 MIABCAIDSDAWAE-UHFFFAOYSA-N 332.429 1.969 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)C1 53286845 LJISBNIRQWVDJW-QZTJIDSGSA-N 329.444 1.760 0 40 EDAB Cc1cc(C)n(CCC(=O)NCc2ccc(N3CCOCC3)nc2)n1 22321557 UWPMYASDIJVYJW-UHFFFAOYSA-N 343.431 1.438 0 40 EDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCO[C@H]2CCCC[C@@H]21 53516599 ADVCNEHCENCASZ-GJZGRUSLSA-N 345.378 1.649 0 40 EDAB C[C@@]1(NC(=O)CNc2ccc(F)c(F)c2F)CCS(=O)(=O)C1 22907736 KBHOSPXPWCSQFP-CYBMUJFWSA-N 336.335 1.209 0 40 EDAB COc1cc(CNC(=O)c2ccccc2OCCN(C)C)ccn1 47297939 ZIOCTAWZHTZZCL-UHFFFAOYSA-N 329.400 1.961 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCCOCc1ccco1 54227215 UUQVFCFEMCDPLX-HUUCEWRRSA-N 348.399 1.478 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)NCc1cccc(Cl)c1 425486 YQBJCQGCTAFPEU-UHFFFAOYSA-N 328.759 1.761 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)CN(C)c2cnccn2)n1 95360756 JNYWZSAACKTOAM-HNNXBMFYSA-N 328.420 1.417 0 40 EDAB COc1cc(C(=O)Nc2nnc(N3CCOCC3)s2)ccc1O 1418543 XPPWDYTZRFLDIF-UHFFFAOYSA-N 336.373 1.341 0 40 EDAB Cc1nn(CCC(=O)NC[C@H]2CCCO2)c(C)c1Br 2780263 BDURNMAMJGMYNU-LLVKDONJSA-N 330.226 1.948 0 40 EDAB COc1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(OC)c1 3385782 YVGIUAIZSPWOIE-UHFFFAOYSA-N 338.360 1.485 0 40 EDAB O=[S@](C[S@@](=O)c1nc(Cl)ns1)c1nc(Cl)ns1 4290386 NTNQYVJUWNNKKP-IRXDYDNUSA-N 349.271 1.569 0 40 EDAB c1nc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)c2sccc2n1 24204565 BFPKRPHIJQQFBT-GXTWGEPZSA-N 334.445 1.841 0 40 EDAB COCCN1CCN([C@@H](C(=O)OC)c2ccccc2Cl)CC1 55102462 AQPDFGXMNQBOAW-OAHLLOKOSA-N 326.824 1.818 0 40 EDAB COc1ccc(CNS(=O)(=O)NCc2ccccc2)cc1OC 1387509 CAJTUYADZMGYHS-UHFFFAOYSA-N 336.413 1.828 0 40 EDAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)OCO2 25047504 AADJJXOTXXTPLM-AWEZNQCLSA-N 343.335 1.635 0 40 EDAB COc1ccc([C@@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1 72403633 URGFPIMRBIRSAH-LLVKDONJSA-N 325.328 1.341 0 40 EDAB COCCCN1C(=O)CC[C@H]2CN(c3ncnc4[nH]cnc34)CC[C@H]21 72426878 VQYFHXUPKQBRTJ-QWHCGFSZSA-N 344.419 1.207 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2Cc3cccc(F)c3O2)C[C@H]1N1CCOCC1 106918426 SMMBJIHSQQOTIS-DAXOMENPSA-N 334.391 1.308 0 40 EDAB OC[C@@H]1CCCN1C[C@@H]1CCCN1Cc1nc(-c2ccco2)no1 107069651 INMRFLJDZGBZGC-KBPBESRZSA-N 332.404 1.751 0 40 EDAB O=C(NCCOc1ccc2ccccc2c1)NCCN1CCOCC1 26182299 NWLFULZGPCEMBH-UHFFFAOYSA-N 343.427 1.850 0 40 EDAB Cc1cnc(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)cn1 57288032 VMYMCLGCTUNHPN-HNNXBMFYSA-N 345.472 1.565 0 40 EDAB Cc1nn(CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C)c(C)c1Cl 57487828 XKAVGEDGXQDUKO-LBPRGKRZSA-N 328.844 1.772 0 40 EDAB Cc1cn2nc(NC[C@@H]([C@@H]3CCOC3)N3CCOCC3)sc2n1 26701918 HGPNTLSKLFNTKF-OLZOCXBDSA-N 337.449 1.248 0 40 EDAB COc1ccc2c(C)c(CC(=O)NCCc3c[nH]cn3)c(=O)oc2c1 12663612 QDYDHXVOYAIMEP-UHFFFAOYSA-N 341.367 1.735 0 40 EDAB biogenic NC(=O)C1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1 44894871 IYSRGNWBTDOXLS-UHFFFAOYSA-N 331.294 1.360 0 40 EDAB CN(CCOc1cccc(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 48251531 ZXNGJVALTWYOFG-LBPRGKRZSA-N 346.836 1.547 0 40 EDAB CS(=O)(=O)c1ccc(OCc2nnnn2Cc2ccccc2)cc1 48260391 MZCSBCVVBGVNBN-UHFFFAOYSA-N 344.396 1.704 0 40 EDAB CS[C@H](C)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 58282574 AXNISVVHDIPLTR-DOMZBBRYSA-N 336.457 1.963 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCCOCc2ccco2)C[C@H](C)O1 44936066 NAODLNXIVKJQOY-STQMWFEESA-N 332.422 1.130 0 40 EDAB COc1cccc(C[C@@H](C(=O)N2CCSCC2)n2nnnc2C)c1 44955000 MZRFCGWOGGCXBN-HNNXBMFYSA-N 347.444 1.349 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1CCc1nc2ccsc2c(=O)[nH]1 44978337 JYEINJNRTXXLHO-UHFFFAOYSA-N 346.412 1.782 0 40 EDAB CCc1ccc(N2C[C@@H](C(=O)NCc3nncn3CC)CC2=O)cc1 44942295 YXLVBCBGINJPBL-AWEZNQCLSA-N 341.415 1.530 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)CC(=O)N(Cc1ccncc1)C2 108527669 ALKOPOQBZRHYFP-UHFFFAOYSA-N 337.445 1.246 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(CN2CCOCC2)cc1 71280352 UPXBJHYHZAIQSU-HUUCEWRRSA-N 332.400 1.814 0 40 EDAB COC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12770496 HQAJPGPSQRABJR-UHFFFAOYSA-N 344.367 1.843 0 40 EDAB CCN1CCN(CCCNC(=O)c2ccc(N(C)C)c(F)c2)CC1 58328885 SLMVVUQGGGPVAO-UHFFFAOYSA-N 336.455 1.649 0 40 EDAB NC(=O)NC(=O)CCN1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 58343104 CHRAWICLKZIFII-IRXDYDNUSA-N 344.459 1.700 0 40 EDAB CCCO[C@H]1CCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1 58342796 ZTGYYHZJLBIPPI-NSHDSACASA-N 332.447 1.427 0 40 EDAB CN1N=C(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCC1=O 58394369 JQXWNTDNNBGYKC-ZDUSSCGKSA-N 348.472 1.685 0 40 EDAB CCOc1ccccc1NC(=O)C[C@H]1SC[C@@H](C(=O)O)NC1=O 20635108 JPJIJWLRSKPCFG-CMPLNLGQSA-N 338.385 1.099 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)NCCc1ccc(F)cc1 3322323 GOKGRSNICFAODU-UHFFFAOYSA-N 326.331 1.290 0 40 EDAB Cc1cc(C)n(CC(=O)N[C@@H](C)c2cc(O)n3nc(C)cc3n2)n1 100217832 VAIJCYGPYSMOHI-LBPRGKRZSA-N 328.376 1.434 0 40 EDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H]2CCOC2=O)c1 3387751 MEOLUKMSBZSJKV-ZDUSSCGKSA-N 341.385 1.189 0 40 EDAB O=C1C[C@]2(CCSC2)C(=O)N1CCS(=O)(=O)c1ccccc1 60368157 IVVAUEKSSPIMBQ-HNNXBMFYSA-N 339.438 1.343 0 40 EDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCO[C@H]2CCCC[C@@H]21 46484850 MIHAMGAVUCVLNS-PMPSAXMXSA-N 330.432 1.863 0 40 EDAB COc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1OC 46729740 QZFLSHSUGYCAOU-UHFFFAOYSA-N 330.388 1.952 0 40 EDAB Cc1ccc(-c2noc([C@H](C)N3CCN(CCO)CC3)n2)cc1F 48366474 AIHUYQCEKQTFRJ-ZDUSSCGKSA-N 334.395 1.855 0 40 EDAB CCOc1ccc(OC[C@H](O)Cn2cnc3ncccc3c2=O)cc1 12814325 VEFSRLGRLRENMA-CYBMUJFWSA-N 341.367 1.630 0 40 EDAB O=C(COC(=O)[C@H]1COc2ccccc2O1)NCc1ccc(F)cc1 3497401 JWWFKLXLKODDIE-MRXNPFEDSA-N 345.326 1.825 0 40 EDAB Cc1csc(=O)n1CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 13005833 VQWAUMHIIXWZGR-SECBINFHSA-N 333.369 1.576 0 40 EDAB COc1ccc(/C=C(\C(=O)N2CCOCC2)n2ccccc2=O)cc1 13897000 XBGGHBGOQKWUQN-SAPNQHFASA-N 340.379 1.714 0 40 EDAB COc1cc(OC)c(/C=C2\NC(=O)NC2=O)cc1Br 13897330 YRQVJAVICACGNS-YWEYNIOJSA-N 327.134 1.647 0 40 EDAB CN1CCO[C@@H](CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 65611240 MYIWDKXSVAEVSG-AWEZNQCLSA-N 330.388 1.226 0 40 EDAB O=C(c1ccccc1)c1ccc(OS(=O)(=O)N2CCOCC2)cc1 4666973 MEMWUJMPZIVNRX-UHFFFAOYSA-N 347.392 1.873 0 40 EDAB COc1cc(OC)c(C2=NO[C@@H]3[C@@H](OC)O[C@@H](OC)[C@H]23)c(OC)c1 4666888 ZCDCZGUJYGSULM-BVUBDWEXSA-N 339.344 1.407 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)[C@H](C)S(=O)(=O)C(C)C)C2)no1 72231771 DYWBJYKUHVOTIJ-CMPLNLGQSA-N 329.422 1.296 0 40 EDAB Cc1ccc(S(=O)(=O)CC(=O)N(C)Cc2cnn(C)c2)c(C)c1 66206143 RGBXCCAMMAGXOU-UHFFFAOYSA-N 335.429 1.469 0 40 EDAB CN(CC(=O)N1CCNC1=O)[C@@H](c1cccc(F)c1)c1ccccn1 66530371 GGHYZOMKQOZGFE-KRWDZBQOSA-N 342.374 1.794 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCN(C(=O)N3CCCCC3)CC2)no1 71793476 AJNKEOQYVDADNU-AWEZNQCLSA-N 349.435 1.534 0 40 EDAB CN(C(=O)CSc1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 4830098 XDKGQVJEUVCKCY-JTQLQIEISA-N 339.442 1.301 0 40 EDAB Cc1ccc([C@@H](CNC(=O)NCCN2CCOCC2)N(C)C)cc1 67003287 DBLNXFMQTKXVQN-QGZVFWFLSA-N 334.464 1.229 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 15329088 ZJSPGWIVYHPWAJ-UHFFFAOYSA-N 335.381 1.831 0 40 EDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(OC)nc3)ccc21 15616890 RWKOILLMULZUSQ-UHFFFAOYSA-N 340.339 1.366 0 40 EDAB COc1ccccc1NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 9515226 PVIPXUQBFPMMCM-UHFFFAOYSA-N 349.412 1.707 0 40 EDAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1cc(F)ccc1F 7866091 DDJCCEXSLJBNSE-RXMQYKEDSA-N 326.332 1.434 0 40 EDAB Cc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 16378934 KQTNZYFIQSEYFE-RDJZCZTQSA-N 345.443 1.645 0 40 EDAB Cc1cc(C)c2c(n1)sc1c(=O)n([C@@H](C)C(=O)NC(N)=O)cnc12 7989265 LRNYKUFTYCLKID-QMMMGPOBSA-N 345.384 1.379 0 40 EDAB COc1ccc(-c2cnc(CCC(=O)N(C)CC(=O)N(C)C)o2)cc1 71844013 XZALTQVJXUFYFJ-UHFFFAOYSA-N 345.399 1.829 0 40 EDAB Cc1cc(C(=O)NC2CCN(CC(N)=O)CC2)c2ccc(F)cc2n1 71804963 AKGCXGWDWRGGPZ-UHFFFAOYSA-N 344.390 1.362 0 40 EDAB CCO[C@@H]1C[C@@H]1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 71800798 RFCDMZDUWJVDKF-XJKSGUPXSA-N 329.400 1.918 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cccc(Br)c2)CC1 70008081 OJLPTUAWTAALEU-CQSZACIVSA-N 341.249 1.978 0 40 EDAB NC(=O)[C@@H](NCC(=O)N1CCc2sccc2C1)c1ccccc1 69385477 RJTWQVINVKSVSD-INIZCTEOSA-N 329.425 1.449 0 40 EDAB O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 17071844 FKTTVMUTXAEHHI-WUCCLRPBSA-N 344.415 1.262 0 40 EDAB Cc1ccc(N2CCCN(C(=O)c3cccnc3N(C)C)CC2)nn1 69493462 PGGSJOWJIADDDZ-UHFFFAOYSA-N 340.431 1.599 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCCN(c2cccnn2)CC1 71860331 YKISMBJUSURZFQ-UHFFFAOYSA-N 328.420 1.108 0 40 EDAB CCc1nc(CN2CCC[C@@H](NCc3ccc(C(N)=O)cc3)C2)no1 69538018 JLKYLQJJZFNWNE-OAHLLOKOSA-N 343.431 1.485 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2ccc(N3CCC(C)=N3)cc2)CC1 71881088 WEOCYNZVFQYVDS-GOSISDBHSA-N 344.459 1.801 0 40 EDAB Cc1ccc([C@H](C)NC(=O)CN2CCN(C[C@@H](C)O)CC2)cc1C 69652298 RGBLYMWYAHMUKS-SJORKVTESA-N 333.476 1.479 0 40 EDAB C[C@H]1Sc2ccc(C(=O)NCCC(=O)N3CCCC3)cc2NC1=O 17799106 XPFIRGPRSZBQAW-LLVKDONJSA-N 347.440 1.862 0 40 EDAB Cn1cc(CN2CCCN(C(=O)c3ccc4c(c3)COC4)CC2)cn1 69779125 FWDGXGJBHDLZQU-UHFFFAOYSA-N 340.427 1.798 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)/C=C/c1nccs1 69779275 KDQCZBSCJQHWRO-SNAWJCMRSA-N 326.403 1.012 0 40 EDAB CC(C)(C)c1cc(NC(=O)C(=O)NC[C@H](O)c2cccc(F)c2)no1 69773208 OUNUAUYVLGJDGE-LBPRGKRZSA-N 349.362 1.900 0 40 EDAB O=C(NCc1ccccc1CO)C(=O)Nc1cccc2ncccc12 69808679 VQDGBGGZNAJAJM-UHFFFAOYSA-N 335.363 1.982 0 40 EDAB O=C1C[C@@H](Nc2ncc(Br)cn2)CN1CC(F)(F)F 71915203 VTWPNNZQYVYKSZ-SSDOTTSWSA-N 339.115 1.814 0 40 EDAB COC(=O)[C@](C)(c1ccccn1)N(C)CC(=O)N1CCC[C@@H](C)C1 95459810 DSQVOXSZQYIECU-KDOFPFPSSA-N 333.432 1.660 0 40 EDAB NS(=O)(=O)CCN1CCC[C@H]1Cc1ccc(Br)cc1 95400248 PWANXZALSFYGPU-ZDUSSCGKSA-N 347.278 1.745 0 40 EDAB O=C(c1n[nH]c2c1CCC2)N1CCN(C[C@H](O)c2ccccc2)CC1 75129240 OKDZBFGSIJFBNG-KRWDZBQOSA-N 340.427 1.390 0 40 EDAB C[C@]1(NC(=O)Nc2nncc(-c3ccccc3)n2)CCS(=O)(=O)C1 75109195 LCSSNWUKFPOOQD-HNNXBMFYSA-N 347.400 1.237 0 40 EDAB Cc1ccccc1[C@@H](O)CNC(=O)NCCC(=O)NC1CCCC1 75610718 RDBFIMJJPUVREG-INIZCTEOSA-N 333.432 1.777 0 40 EDAB CCN1CCCC[C@@H]1CNC(=O)NC[C@H](O)c1ccc(OC)cc1 75610450 GOXBTUBIRYWXPS-WBVHZDCISA-N 335.448 1.902 0 40 EDAB CCCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20486715 IURDSRJRPIXVAO-CYBMUJFWSA-N 346.836 1.783 0 40 EDAB c1cc2nncn2nc1N1CC2(CC[C@H](CN3CCCCC3)CO2)C1 306123762 AWBABVJFMVUFQF-OAHLLOKOSA-N 342.447 1.596 0 40 EDAB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2C)c1 408552776 NSAVBDRHXHQABU-UHFFFAOYSA-N 341.367 1.697 0 40 EDAB CC(=O)N1CCC(N2C[C@@H]3OCC(=O)N(c4ccccc4)[C@@H]3C2)CC1 67897070 LUEFDERFXSOCNN-MSOLQXFVSA-N 343.427 1.114 0 40 EDAB biogenic,in-vitro Cc1nn(C)c(N2CCOCC2)c1CNCc1ccc([C@H](C)O)cc1 65474801 HEAXQHCSZVQTFD-HNNXBMFYSA-N 344.459 1.908 0 40 EDAB Cc1cc(N2Cc3ccnn3C[C@@H](OCC3CC3)C2)n2ncnc2n1 306137111 QLVGZQXCPAUUSI-HNNXBMFYSA-N 339.403 1.445 0 40 EDAB CC(=O)OCCN1CCO[C@](O)(c2cccc(C(F)(F)F)c2)C1 31771898 DKSHLVKVAOEBPM-AWEZNQCLSA-N 333.306 1.746 0 40 EDAB CN1CCN(c2nc(O)c3cnn(C)c3n2)[C@H](Cc2ccccc2)C1 521396647 WAEXLPHPMGPPAH-CQSZACIVSA-N 338.415 1.432 0 40 EDAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCCCCO 408709894 ZBMMTJWTSDNUCP-UHFFFAOYSA-N 335.404 1.042 0 40 EDAB C[C@@]1(C(=O)O)CCCN1CC(=O)N1CCc2[nH]c3ccccc3c2C1 530204920 AJTATNCFACWSLB-IBGZPJMESA-N 341.411 1.992 0 40 EDAB CCN(CC(=O)N[C@H](C)COC)S(=O)(=O)c1ccc(C)cc1 39985966 HBSFEKLMWBPXAB-CYBMUJFWSA-N 328.434 1.157 0 40 EDAB Cc1ccncc1NC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 78554167 ADPACNIZPUNBNG-ZIAGYGMSSA-N 348.447 1.333 0 40 EDAB COCCCNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 33746749 DOJXXJJQHTXKPI-AWEZNQCLSA-N 342.461 1.611 0 40 EDAB NC(=O)c1cccc(CN(Cc2cc(=O)n3nccc3[nH]2)C2CC2)c1 1559844057 WWMPVRMOYAAIDS-UHFFFAOYSA-N 337.383 1.286 0 40 EDAB C[C@@](O)(CCc1ccccc1)CNC(=O)C(=O)NCc1cccs1 61976039 QQYDYWFFKUMMGA-GOSISDBHSA-N 346.452 1.864 0 40 EDAB CN1CCc2nc3sc4c(c3cc2C1)NC(=O)[C@@H]1CCCN1C4=O 36559196 FFCQIZCDHLZHHI-LBPRGKRZSA-N 342.424 1.841 0 40 EDAB COC(=O)CN1CCO[C@@H](COc2ccccc2Br)C1 217496037 ZTBJVQOMMCBNIG-LLVKDONJSA-N 344.205 1.702 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H]1c1ccnc(Nc2ccccn2)n1 72377820 CDJUHFNZONMIAB-ZDUSSCGKSA-N 348.432 1.559 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC 218541154 TWOORSUUPMNTET-VYDXJSESSA-N 339.457 1.658 0 40 EDAB CN(C)C[C@H]1CN(CCC(=O)NCc2ccccc2Cl)CCO1 69818767 ACVZCFAFTHBRJI-HNNXBMFYSA-N 339.867 1.609 0 40 EDAB CC(C)CN1C(=O)C(=O)N(Cc2csc(-c3ncccn3)n2)C1=O 69873767 WWZSVXWJGNIUQI-UHFFFAOYSA-N 345.384 1.547 0 40 EDAB COC[C@@H](NC(=O)Cc1ccc(Br)c(Cl)c1)C(N)=O 195577185 MJBJTTGKWMJNHJ-SNVBAGLBSA-N 349.612 1.262 0 40 EDAB CCCN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)c2cc(F)ccc21 195579229 LZHORKHTTVZYEJ-GFCCVEGCSA-N 340.420 1.823 0 40 EDAB O=C(NCCCCCO)C(=O)Nc1ccc(Br)cc1F 192676404 FDFYWWGYENYJHS-UHFFFAOYSA-N 347.184 1.806 0 40 EDAB COc1ccc(CC(=O)NCc2nccc(N3CCCC3)n2)cc1 224150497 CJRORQTVCWGRKP-UHFFFAOYSA-N 326.400 1.944 0 40 EDAB CCc1nn2c(nnc3c(=O)n(CC(=O)O)ccc32)c1-c1ccccc1 40388380 UFDZQGHRSRWHAN-UHFFFAOYSA-N 349.350 1.753 0 40 EDAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)N1CCN(C)CC1 226851700 SFBKOIVVZDOPFO-HNNXBMFYSA-N 328.416 1.722 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3ccc(C)cc3)N[C@](C)(C(=O)OC)[C@@H]2C1=O 229994451 WBUOAAWGZNQQAU-NUXNZHGMSA-N 330.384 1.192 0 40 EDAB COc1ccc(-n2cnc(C(=O)NCCCN3CCOCC3)c2)cc1 226753549 LDHAQCAEBVDSEC-UHFFFAOYSA-N 344.415 1.333 0 40 EDAB C[C@@H]1CCn2cc(C(=O)N3CCC[C@H](CN4CCOCC4)C3)nc2C1 585129603 PDGMIKKYGJVCCG-HZPDHXFCSA-N 346.475 1.650 0 40 EDAB O=C([C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CCc2ccccc21 585122311 WOYAWJIADWWESF-MNOVXSKESA-N 333.331 1.799 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)N(CCCOCC(F)(F)F)CC2 96443365 LCUFKFQIIDZPQI-UHFFFAOYSA-N 338.351 1.666 0 40 EDAB O=C(CCOc1cccc(Cl)c1)N1CC[C@](O)(c2cnn[nH]2)C1 583618225 SVYXFRRORJAYFG-OAHLLOKOSA-N 336.779 1.347 0 40 EDAB CS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 96404796 BKYHFNFPBOJALP-IAGOWNOFSA-N 346.452 1.999 0 40 EDAB COC(=O)/C=C/c1ccc(OCCN2C[C@H](CO)OC[C@H]2C)cc1 584908637 AQVKCVOXURZQRE-TXDDUOMGSA-N 335.400 1.333 0 40 EDAB CC(C)(Cc1ccccc1Cl)NC(=O)CC[C@H]1NC(=O)NC1=O 584906685 OCMOERKPTDMQFI-GFCCVEGCSA-N 337.807 1.766 0 40 EDAB C[C@@H]1NC(=O)[C@@H](C)N(S(=O)(=O)c2cnc3ccsc3c2)[C@@H]1C 585115332 WVJMFGCBEBIHSE-IVZWLZJFSA-N 339.442 1.582 0 40 EDAB Cc1cc(Cl)c(C(=O)N(CCO)CCN2CCOCC2)cc1C 97237098 FMEVXXDNQYPFCS-UHFFFAOYSA-N 340.851 1.724 0 40 EDAB Cc1ccc(CS(=O)(=O)N2CCc3ccc(=O)n(C)c3CC2)cc1 96091066 PZBKUBLVGSKPMB-UHFFFAOYSA-N 346.452 1.624 0 40 EDAB CO[C@@H]1COC[C@@H]1NC(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 334122352 MJFJTQBZOKIUKY-XCRHUMRWSA-N 346.383 1.220 0 40 EDAB CC(C)c1nc(S(=O)(=O)N2CCC3(CC2)C[C@H]3C(=O)O)cn1C 584457150 MYJYTPJNWVNTQJ-NSHDSACASA-N 341.433 1.419 0 40 EDAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 96243543 WUOXWBSUYFUIIA-AWEZNQCLSA-N 346.456 1.581 0 40 EDAB CNC(=O)[C@H]1C[C@@H]2CN(C(=O)Cc3ccsc3)C[C@@H]2N1C(C)C 96182692 ITAIEXRIWLHXFT-KFWWJZLASA-N 335.473 1.346 0 40 EDAB O=C(c1ccco1)N1CCO[C@@H]2CN(Cc3ccncc3)C[C@@H]2C1 96206266 NPEKPRXYQVJZTK-NVXWUHKLSA-N 327.384 1.648 0 40 EDAB COc1ccc(CN2CC3(C2)OCC[C@H]3COCC(=O)N(C)C)cc1 247975075 IGZOQELBRUXJAL-INIZCTEOSA-N 348.443 1.391 0 40 EDAB CC1CCN(CC(=O)N2CCOC[C@H](Cc3ccncn3)C2)CC1 257328872 XHKVGNSAYSVWCS-MRXNPFEDSA-N 332.448 1.226 0 40 EDAB Cc1nc(CC2CCN(CC3(O)CCOCC3)CC2)cc(N(C)C)n1 257251897 JSTOKKHPJXVAHA-UHFFFAOYSA-N 348.491 1.647 0 40 EDAB CC(=O)N1CC[C@H](c2nc(C)cc(-c3cncc(C(=O)O)c3)n2)C1 257267855 MJAWTGWOYRUOGP-LBPRGKRZSA-N 326.356 1.881 0 40 EDAB COC[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2cncn21 253613827 OMPLRJPTBVXJHS-OAHLLOKOSA-N 335.429 1.490 0 40 EDAB O=C(Cn1ccnc1)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257336823 YQERQVKYARTZFK-CYBMUJFWSA-N 326.360 1.385 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC(C)(c3nccs3)CC2)CC1 257324229 WNTHZFALEDGKAN-UHFFFAOYSA-N 337.489 1.870 0 40 EDAB C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCCC12CCOCC2 252494506 NXNYKBMWGZDGFY-QWHCGFSZSA-N 332.466 1.458 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3cn(C)nc3C)CCN2C)cc1 257262838 LNCULUJDTSHQPR-QGZVFWFLSA-N 328.416 1.866 0 40 EDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2cccn2C)n1 257220342 DKLNHUIGVQBXAQ-HNNXBMFYSA-N 327.388 1.429 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CC[C@](O)(CN2CCCC2)C1 257236074 HARLFVFDZYELJX-HNNXBMFYSA-N 346.399 1.186 0 40 EDAB NCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 257239427 HPEIXFIAFTYLLI-CQSZACIVSA-N 329.379 1.877 0 40 EDAB Cc1ncccc1O[C@@H]1CC[C@@H]2CN(C(=O)Cn3cccn3)C[C@@H]21 257265226 LXUVWJWIQPNHMK-HLLBOEOZSA-N 326.400 1.903 0 40 EDAB CC(=O)NCc1cccc([C@@H]2CCCN2CC(=O)N2CCCCC2)n1 257308590 TXHNAXSLUAQPNQ-SFHVURJKSA-N 344.459 1.867 0 40 EDAB CC(C)(C)OC(=O)N1CCC(N2C[C@@H](C(=O)O)CCC2=O)CC1 261507445 IQOWDMRVWNXBGS-NSHDSACASA-N 326.393 1.709 0 40 EDAB Cc1cc(=O)c(CO)nn1CC(=O)N1c2ccccc2CC[C@@H]1C 274938899 DSHFQUHWGVPLED-LBPRGKRZSA-N 327.384 1.412 0 40 EDAB Cc1[nH]nc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1C 604310956 ODJBPUFUYNRTFY-UHFFFAOYSA-N 333.392 1.011 0 40 EDAB COCCn1ccc(NS(=O)(=O)c2csc(C(=O)O)c2)n1 299650463 XAGLWWRNJPAHBC-UHFFFAOYSA-N 331.375 1.090 0 40 EDAB O=C(Nc1ccccn1)N1CCn2c(nnc2CC(F)(F)F)C1 1615582338 OBEGKUVFMJFDTD-UHFFFAOYSA-N 326.282 1.826 0 40 EDAB CC[C@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)Oc1cccc(C)c1 1615547380 SZJZLLVHGLTVPR-ZBFHGGJFSA-N 342.399 1.648 0 40 EDAB COCCOc1ccnc(NC(=O)Nc2cnn(CC3CC3)c2)n1 1615587897 VDTYGYOYRBKKOB-UHFFFAOYSA-N 332.364 1.752 0 40 EDAB Cc1ccc(OC[C@@]2(O)CCN(C(=O)Cc3ccncc3)C2)cc1 585277822 PTCDFFAGVMYMHF-LJQANCHMSA-N 326.396 1.975 0 40 EDAB O=C(c1cccnn1)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 585276113 LYXDQADJFQBISV-QGZVFWFLSA-N 331.347 1.062 0 40 EDAB Cc1ncc(CN2CCO[C@@](CO)(Cc3ccccc3F)C2)cn1 585276009 KROWDJJTWAPGHJ-SFHVURJKSA-N 331.391 1.730 0 40 EDAB CCn1ccnc1CN1CCN(Cc2nnsc2Cl)CC1 69510655 KIWAYSFUCGCCKZ-UHFFFAOYSA-N 326.857 1.726 0 40 EDAB Cc1nc(CN2CCC[C@@H](N[C@H](C(N)=O)c3ccccc3)C2)no1 71870582 AXJRYYSHGHEPDF-ZBFHGGJFSA-N 329.404 1.159 0 40 EDAB C[C@H]1CN(c2ccc(CNc3ccc4nnnn4n3)cn2)C[C@@H](C)O1 52219075 QXGJQXKBJXGBID-TXEJJXNPSA-N 340.391 1.140 0 40 EDAB O=C(N[C@H]1CCCCNC1=O)c1ncccc1OCc1ccncc1 76946424 PVVAUSTWBQGEOW-AWEZNQCLSA-N 340.383 1.454 0 40 EDAB Cc1cccc(C)c1C(=O)Nc1nnc(NS(C)(=O)=O)s1 84213337 QOZVRVCQNNGFLD-UHFFFAOYSA-N 326.403 1.779 0 40 EDAB CN(Cc1ncnn1C)[C@@H](C(N)=O)c1cccc(Br)c1 95978744 SNGOMDMUJSUCMH-GFCCVEGCSA-N 338.209 1.236 0 40 EDAB O=C1OCC[C@H]1N1CCN(c2ccc(Br)cn2)CC1 97079681 LNUJKNGGMFHKHJ-LLVKDONJSA-N 326.194 1.282 0 40 EDAB Cc1ccccc1OC[C@]1(O)COCCN(C(=O)c2cnco2)C1 1615142933 VUCPYWNMGBUQQN-QGZVFWFLSA-N 332.356 1.266 0 40 EDAB C[C@]1(NC(=O)CSc2nc3ccccc3[nH]2)CCS(=O)(=O)C1 5628170 JEOVTRRRIPNCIN-AWEZNQCLSA-N 339.442 1.348 0 40 EDAB CCCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccccc3Cl)nc21 12114180 NNSBFBXRRYVWEJ-UHFFFAOYSA-N 331.763 1.949 0 40 EDAB O=C1COc2ccc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@@H]3C4)cc2N1 12375198 VWYBMNCJNPYZKN-TUAOUCFPSA-N 336.413 1.732 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)CSCc1ccc(C(=O)O)cc1 13232781 MRLPGAICOWGOTK-NSHDSACASA-N 338.429 1.649 0 40 EDAB O=C(Nc1ccccc1C(=O)NCc1ccccn1)C(=O)NC1CC1 13723791 UINJQIUYKFCMTC-UHFFFAOYSA-N 338.367 1.229 0 40 EDAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CO[C@H](O)C(Cl)(Cl)Cl 18212144 LFUCJRTVZWFGKO-PJKMHFRUSA-N 328.579 1.600 0 40 EDAB C[C@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1C 19575204 BEERMGACMMQTOF-TXCZRRACSA-N 332.444 1.733 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NC[C@H]1CCCOC1 19576212 QJERQAMBAUMZLB-YBJLUAFYSA-N 342.395 1.617 0 40 EDAB CNC(=O)Cn1cc(NC(=O)CCN2CCc3ccccc32)cn1 19746210 SMLPMZIFAFEQPZ-UHFFFAOYSA-N 327.388 1.020 0 40 EDAB CCOc1cccc2[nH]c(C(=O)N(C)C[C@@H]3COC[C@@H](O)[C@H]3O)cc12 643551192 ORXISPDTAUSKGM-JGFGOQIWSA-N 348.399 1.007 0 40 EDAB O=C(CCn1ccnc1)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 643585091 JAACYCWPJYCWRP-MZMPZRCHSA-N 347.390 1.747 0 40 EDAB COc1cccc(S(=O)(=O)NCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 12883045 OIFNRMAENJOCDO-BETUJISGSA-N 340.445 1.478 0 40 EDAB O=C(COc1ccccc1)NCCn1nc(C(F)(F)F)ccc1=O 1888860274 LHIDFAGGDMSHOS-UHFFFAOYSA-N 341.289 1.457 0 40 EDAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccccn5)C[C@@H]4C3)nn12 1888879365 GJKCVDHPHKWJKZ-KBPBESRZSA-N 349.398 1.036 0 40 EDAB C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C[C@@H](C)O1 24479943 KCMCQAURDXFTEL-FRRDWIJNSA-N 346.383 1.404 0 40 EDAB CN1CCCC[C@@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O 2037985856 YSJGPWDWTBAWLZ-GOSISDBHSA-N 334.391 1.608 0 40 EDAB CC(C)N(C)CC(=O)N1CCc2ncnc(-c3cncnc3)c2C1 1565556758 UDMGZGGTAMEHDS-UHFFFAOYSA-N 326.404 1.159 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(CCc2ccccc2)CC1 2055746512 QKKLCAUXKFLMNH-UHFFFAOYSA-N 341.459 1.655 0 40 EDAB CCN1C[C@@]2(COCCN(C(=O)[C@@]3(C)CC=CCC3)C2)OCC1=O 2055785627 RSLGGKOBYAJHFI-ZWKOTPCHSA-N 336.432 1.209 0 40 EDAB CC(=O)c1cc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)NC3CCC3)C2)n[nH]1 2055816038 IEPOWFDIFKIHNF-PXAZEXFGSA-N 330.388 1.133 0 40 EDAB Cn1nc(C(=O)NCc2nccnc2-c2cccs2)ccc1=O 575620028 IRAMKLQKWUTTMK-UHFFFAOYSA-N 327.369 1.229 0 40 EDAB COCCC(=O)N1CC[C@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 19593071 BBMDEFWHBLLHTC-ZDUSSCGKSA-N 342.399 1.522 0 40 EDAB NC(=O)c1ccsc1NC(=O)CN1CCN(Cc2ccco2)CC1 23249341 WGSJNPLNIZFTPS-UHFFFAOYSA-N 348.428 1.196 0 40 EDAB Cc1ccc(NC(=O)[C@@H](C)SCc2cc(=O)n(C)c(=O)n2C)cc1 40086346 GFMTVLCMGUWFGY-GFCCVEGCSA-N 347.440 1.653 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCN(Cc2csc(C)n2)CC1)C(C)C 31258725 IXIIMWNHEUINOS-OAHLLOKOSA-N 338.477 1.256 0 40 EDAB CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 40488916 JGTAENDWJPWPHK-OAHLLOKOSA-N 348.380 1.837 0 40 EDAB Cc1cc(C)n(CC(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)n1 40512428 ADZDILOBJGHQRQ-GFCCVEGCSA-N 328.372 1.708 0 40 EDAB CC(C)Oc1ccc([C@@H]2CC(=O)N(CN3CCOCC3)C2=O)cc1 20791982 RMUPZSSPNZZGON-INIZCTEOSA-N 332.400 1.606 0 40 EDAB Cc1nc(CN2C(=O)[C@@H]3CN(Cc4ccccc4)C[C@H]3C2=O)oc1C 102048538 HYUDLRPBVFLXEJ-HZPDHXFCSA-N 339.395 1.908 0 40 EDAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCc1ccc(Cl)cc1 102274918 HOSYIONUHVMJRO-ZIAGYGMSSA-N 332.787 1.907 0 40 EDAB O=C(Nn1cnnc1S)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795820 LYXNFBMAGMXWRI-GFCCVEGCSA-N 343.412 1.179 0 40 EDAB CC(=O)N1CCCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 32843201 FTWDMTSPSPDAEG-KBPBESRZSA-N 335.423 1.946 0 40 EDAB O=C(C[C@H]1C=CCC1)NCCS(=O)(=O)N1CCc2ccccc21 32915283 MPPHIRBVURGVOB-AWEZNQCLSA-N 334.441 1.851 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NCCc2ccc(-n3cccn3)cc2)C1 32924684 JJBBGXQVFHQRDB-OAHLLOKOSA-N 341.415 1.322 0 40 EDAB CC(C)c1noc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)n1 53527369 IWCSVMUXGYHUQN-UHFFFAOYSA-N 327.348 1.944 0 40 EDAB COC(=O)C1(NC(=O)Cc2ccc(-n3cnnn3)cc2)CCCCC1 23191337 NRQKIGXLKQQPQA-UHFFFAOYSA-N 343.387 1.197 0 40 EDAB Cc1ccc(CCNC(=O)NC2CCN(C[C@H]3CCOC3)CC2)cn1 77664296 OFHJDHCUHUHYBD-QGZVFWFLSA-N 346.475 1.733 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N[C@@]1(O)C(F)(F)F 968811 GDGRQDVRZXBEGA-KWBADKCTSA-N 332.278 1.471 0 40 EDAB C[C@@H](NC(=O)c1cc(Cl)cn1C)c1ccc(S(N)(=O)=O)cc1 23481559 HMLDXRJTCPKYNW-SECBINFHSA-N 341.820 1.817 0 40 EDAB COc1cc(=O)[nH]c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1 4730709 XPOOZZGKPWDPKF-UHFFFAOYSA-N 349.456 1.956 0 40 EDAB O=C1C[C@@H](c2ccc(OCC(=O)N3CCCC3)cc2)n2ncnc2N1 6322302 UHTWNCIVYZYYJV-AWEZNQCLSA-N 341.371 1.211 0 40 EDAB Cc1cc(NC[C@H](C)N2CCOCC2)n2nc(C(F)(F)F)nc2n1 25567696 HGVBWBVVCVZKMQ-JTQLQIEISA-N 344.341 1.584 0 40 EDAB Cc1noc([C@@H](C)N2CC[C@@H](N(C)Cc3nnc(C4CC4)n3C)C2)n1 107354309 RMGPIHQYRIAOGO-BXUZGUMPSA-N 345.451 1.651 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@@H]2c2cc(C)no2)ccc1=O 56736991 JLHQBNBYJDZRRM-CQSZACIVSA-N 331.372 1.768 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)[C@H](N(C)Cc2cnn(-c3ccccc3)c2)C1 107586668 GZATUMDTWSEAQV-USXIJHARSA-N 329.400 1.617 0 40 EDAB Cn1cc(CN2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cn1 107730841 NDRBTEQPMOEPAY-NVXWUHKLSA-N 328.420 1.446 0 40 EDAB CCc1n[nH]c([C@@H]2CN([C@H](C)C(=O)Nc3cc(C)no3)CCO2)n1 107503784 VPBSLPXQIJNTRY-MNOVXSKESA-N 334.380 1.064 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)NCCc1ccc(F)cc1 26685346 XTSTYYQIOJRYLA-UHFFFAOYSA-N 340.358 1.680 0 40 EDAB CCNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 12612392 DGBCPCZXDQTXBM-GOSISDBHSA-N 325.368 1.743 0 40 EDAB O=C1C[C@@H](c2ccc(S(=O)(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)cc2)CN1 100208722 HZIHGWZABYTZLM-QCEMKRCNSA-N 346.452 1.781 0 40 EDAB CN(CC(=O)N1CCC(O)CC1)c1ncnc2c1oc1ccccc12 48261554 PUGOHDUXXJZUGM-UHFFFAOYSA-N 340.383 1.796 0 40 EDAB COc1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1O 100542842 QGGLCGBRBYFWPB-TVXJZBATSA-N 333.409 1.375 0 40 EDAB CCCOc1cccc(CNC(=O)NCC(=O)NCC(F)(F)F)c1 58174817 VTASVJTVVRUSJZ-UHFFFAOYSA-N 347.337 1.953 0 40 EDAB O=C(CSc1nnnn1CC(F)(F)F)NCc1ccccc1 58289881 UMNXSWULKNUWFP-UHFFFAOYSA-N 331.323 1.644 0 40 EDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(OC)CC2)c1 44910699 FMXUEUYWXQCNBX-UHFFFAOYSA-N 347.820 1.926 0 40 EDAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCC2CC2)c1 44901057 LAXJCWOTYCVDQE-UHFFFAOYSA-N 326.356 1.116 0 40 EDAB Cn1ncc2c(SCCCN3C(=O)NC(C)(C)C3=O)ncnc21 44919366 SAIPJWIWUXUUMP-UHFFFAOYSA-N 334.405 1.176 0 40 EDAB CCN(CCC(=O)OC)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 58424873 IIORMRALHZCFOH-UHFFFAOYSA-N 335.429 1.858 0 40 EDAB COc1ccccc1C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 58441140 XNOWGATURZBWCC-LBPRGKRZSA-N 345.351 1.594 0 40 EDAB Cc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100664351 HNJNXHVYODQGKP-YKWLKKDSSA-N 336.391 1.987 0 40 EDAB COC(=O)Cn1cc(NC(=O)c2cccc(N3CCCC3=O)c2)cn1 55914226 XFEFXDURQHEAOB-UHFFFAOYSA-N 342.355 1.435 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccncc2)C1 107710987 QUNOLZFTACZKED-BZUAXINKSA-N 339.399 1.490 0 40 EDAB Cn1cc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCCCO3)C2)cn1 108525700 WJNVSKJPVWAIKC-SJLPKXTDSA-N 332.448 1.966 0 40 EDAB CCOC(=O)C1=C(CN(C)CC2CC2)NC(=O)N[C@@H]1c1ccco1 48369045 ONSMIRFYOZOYPF-OAHLLOKOSA-N 333.388 1.793 0 40 EDAB Cc1cc(CNC(=O)NCc2ccccc2N2CCOCC2)no1 62501744 SMYSXYUSQJLQEU-UHFFFAOYSA-N 330.388 1.819 0 40 EDAB BrC12C3[C@@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 100716939 PHSSQOWAVHELST-YUKKYSBJSA-N 334.007 1.762 0 40 EDAB CCCn1nc(C(=O)NCc2ccc3c(c2)OCCO3)ccc1=O 36733189 DMXSYLPGKSHURW-UHFFFAOYSA-N 329.356 1.355 0 40 EDAB CCCc1noc(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)n1 29572339 FTURQWINYDWRPH-UHFFFAOYSA-N 328.328 1.513 0 40 EDAB O=C1C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21 20412398 QFBSTUBKNGROJZ-UONOGXRCSA-N 349.390 1.454 0 40 EDAB biogenic O=S(=O)(N[C@H]1CCCNC1)c1ccc(F)cc1Br 71397301 DDDMVGPBPSZREL-VIFPVBQESA-N 337.214 1.619 0 40 EDAB C[C@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)c1ccccc1 13009738 TVQSYBSMLGBWPN-LBPRGKRZSA-N 344.367 1.666 0 40 EDAB C=CC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2 3896119 YTUGEBFUAYSFHH-UHFFFAOYSA-N 337.372 1.632 0 40 EDAB O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)c1ccc[nH]1 95438425 FEMPNVADXCCTCM-UHFFFAOYSA-N 347.440 1.870 0 40 EDAB COc1cc(NC(=O)C(=O)NCc2cccnc2)cc(OC)c1OC 9304917 PMGMABMYGRXEHC-UHFFFAOYSA-N 345.355 1.362 0 40 EDAB CN(C)CCNC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2 65453783 SXYGOZGGIWHSEZ-UHFFFAOYSA-N 344.415 1.540 0 40 EDAB CC[C@@H](C)NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 4411407 SNHPXQSEOPGFNZ-GFCCVEGCSA-N 328.434 1.684 0 40 EDAB C[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C1 4476696 GYKICQSNSDLKOX-SCLBCKFNSA-N 329.400 1.712 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c(=O)[nH]1 14190699 CYGCCHLAGHFQSI-MLGOLLRUSA-N 328.368 1.836 0 40 EDAB Cn1c(=O)n(-c2ccccn2)c(=O)c2c3c(sc21)COC(C)(C)C3 9418441 YWKWSNKRZKRSPR-UHFFFAOYSA-N 343.408 1.997 0 40 EDAB COc1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1 5488821 HFCSAZOYXDNRCC-JQWIXIFHSA-N 328.415 1.357 0 40 EDAB Cc1nn2cccnc2c1C(=O)NCc1n[nH]c(=S)n1C1CC1 66637570 KHLJYRVFBRONIE-UHFFFAOYSA-N 329.389 1.557 0 40 EDAB COc1ccc(C(=O)N2CCN(c3nc(C)c(C)c(=O)[nH]3)CC2)cc1 4818139 WJRMXUFXVBTIBF-UHFFFAOYSA-N 342.399 1.358 0 40 EDAB CN1C(=O)C[C@@H](CNC(=O)CCCn2cccn2)[C@H]1c1ccccc1 95468428 DZNQOIJZNJPKCJ-QFBILLFUSA-N 340.427 1.999 0 40 EDAB COC(=O)[C@@H](C)CS(=O)(=O)NCC1(C)Cc2ccccc2C1 93938922 VADVWEIGBMESGE-LBPRGKRZSA-N 325.430 1.520 0 40 EDAB Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)NC(N)=O)c1C 7283032 OEYMLNBOPVOQDM-UHFFFAOYSA-N 339.373 1.065 0 40 EDAB COc1ccc2c(C)c(CC(=O)N3CCC(O)CC3)c(=O)oc2c1 9576337 YWXMUWLLKHWHAP-UHFFFAOYSA-N 331.368 1.636 0 40 EDAB CCOCCCNC(=O)CSc1nc2sccc2c(=O)n1C 7776990 TVSKSGWGPFVRFO-UHFFFAOYSA-N 341.458 1.630 0 40 EDAB O=C(Nc1ccc2c(c1)CCC2)C1=CC=CN2CCS(=O)(=O)N=C12 7705018 KKKKAPNYQZWSGL-UHFFFAOYSA-N 343.408 1.611 0 40 EDAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(N(C)C)nc2)C[C@@H](C)O1 71841822 WDZXLRCMECVBPJ-INMHGKMJSA-N 346.475 1.861 0 40 EDAB CN(C)[C@H]1CCCN(C(=O)NC2CCN(Cc3ccccn3)CC2)C1 71857235 SPKFYRWNBJULRT-SFHVURJKSA-N 345.491 1.782 0 40 EDAB Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccco3)CC2)c1 16279633 YQLZHYRIDQLKCC-UHFFFAOYSA-N 327.384 1.667 0 40 EDAB NC(=O)CSc1ccccc1NC(=O)N1CCCN2CCC[C@H]2C1 71920197 XSPKEXVXKHYBEL-ZDUSSCGKSA-N 348.472 1.966 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2sccc2-n2cnnn2)c1 70039642 YDAADTSCYJRVRR-GFCCVEGCSA-N 343.416 1.534 0 40 EDAB Cc1cc(NC(=O)CCN2C(=O)N[C@](C)(c3ccc(C)o3)C2=O)no1 69393165 JNVWOJSKXOQLEM-MRXNPFEDSA-N 346.343 1.680 0 40 EDAB CCOC(=O)c1cn[nH]c1N[C@@H]1OC(=O)c2c1ccc(OC)c2OC 17072216 TUKBEHLQIQJWDP-CQSZACIVSA-N 347.327 1.885 0 40 EDAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(C)nn32)c1 9669344 JLSFBSMCSOBKNT-LLVKDONJSA-N 331.332 1.126 0 40 EDAB COCCN1C[C@@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CC1=O 83902847 YOKCSEUKDXEJPS-STQMWFEESA-N 348.403 1.105 0 40 EDAB CNc1ccc(S(=O)(=O)NC)cc1NC(=O)[C@@H]1C[C@H]1c1ccco1 69586039 UPSWZKJINIETSG-VXGBXAGGSA-N 349.412 1.972 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)c2ncncc2Cl)[C@@H]1c1ccc(F)cc1 89374748 YADQTPMFOXHUSK-DOMZBBRYSA-N 348.765 1.971 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@H](n3ccnc3)C2)CN1Cc1ccco1 69659570 BMRMUNOQZRCEOI-CABCVRRESA-N 342.399 1.688 0 40 EDAB C[C@@H](C(=O)NC(N)=O)N(C)CCc1ccc(Br)cc1 69627022 AGSZZYQQIBTPNJ-VIFPVBQESA-N 328.210 1.507 0 40 EDAB O=C(CN1CCN(CCO)CC1)N1CCC(Cc2ccccc2)CC1 69652414 ATSBIUDWZICVRV-UHFFFAOYSA-N 345.487 1.078 0 40 EDAB CCc1ccc(NC(=O)N(C)Cc2ccncc2)cc1S(N)(=O)=O 69708537 ZNRIEPZEDUQTQD-UHFFFAOYSA-N 348.428 1.955 0 40 EDAB Cc1ccc(S(=O)(=O)NC2CCC(C(N)=O)CC2)c(Cl)c1 69738268 JZFAPXURFQRDBM-UHFFFAOYSA-N 330.837 1.971 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(Cc3cccc(C(N)=O)c3)C2)n1 69816867 PVTCDMGJKQVXTM-INIZCTEOSA-N 327.432 1.906 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)CCNC(=O)c1n[nH]c2ccccc12 69843434 GVUGWMVLSTZNAZ-NWDGAFQWSA-N 330.388 1.319 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)O)C2)cc1Cl 92182060 GKCSYMXKCVTLRF-BDAKNGLRSA-N 331.777 1.656 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)c3csc(-c4nc[nH]n4)n3)C2)c1 69969144 IPQGVTLWKUAEKI-NSHDSACASA-N 343.416 1.910 0 40 EDAB CC[C@H](C)[C@@H](CO)NC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O 8764955 GPZFINXECJSGBL-TVQRCGJNSA-N 349.383 1.578 0 40 EDAB biogenic CN(C)c1nc(N)nc(COC(=O)c2cc3c(s2)CCCC3)n1 8772575 GBKRHCJPEXYJAX-UHFFFAOYSA-N 333.417 1.817 0 40 EDAB O=C(CCCSc1nnc(NC2CC2)s1)N1CCOCC1 8761802 QPGXLMGINUNKAW-UHFFFAOYSA-N 328.463 1.844 0 40 EDAB O=S1(=O)CCCN1CCN[C@@H]1CSCCc2ccccc21 89520047 ITLQVCABESEAFU-OAHLLOKOSA-N 326.487 1.642 0 40 EDAB Cn1ccnc1[C@](O)(CCNc1nccn2cnnc12)C(F)(F)F 72289821 BOJNMSCGCMGLOD-GFCCVEGCSA-N 341.297 1.110 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1csc(NC(C)=O)n1)C2 72279552 ZQDPIVRLHVMNBJ-UHFFFAOYSA-N 346.416 1.522 0 40 EDAB Cc1nnc(CNC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)n1C 72281834 LVUYLXMCTPLQHT-BXKDBHETSA-N 345.378 1.787 0 40 EDAB Cc1cc(C)cc(C2(C(=O)N3CCN(CC[S@@](C)=O)CC3)CC2)c1 72294443 IJMMYDDHTNMJIY-DEOSSOPVSA-N 348.512 1.858 0 40 EDAB O=C(O)c1ccccc1CC(=O)N1c2ccccc2C[C@H]1C(=O)O 72324798 RSXCIVVSXAAYIZ-HNNXBMFYSA-N 325.320 1.970 0 40 EDAB biogenic COC(=O)C1(C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 97380141 GSUOEKXSSSVINI-YESZJQIVSA-N 342.439 1.966 0 40 EDAB Cc1ccc(C)n1-c1c(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cnn1C 89652257 CIPCURSJGGGLJD-UONOGXRCSA-N 343.431 1.602 0 40 EDAB Cc1nc2ccccc2c(=O)n1CC(=O)N1C[C@H](C)[C@@H](N(C)C)C1 89729919 PNOMFYNYAIFQNH-LRDDRELGSA-N 328.416 1.113 0 40 EDAB NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cn(Cc2ccccc2)nn1 89841048 ZVQFFPJBBQKUCQ-GJZGRUSLSA-N 341.415 1.490 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C[C@H]1O 89948603 NXIYVRYYPGNFHV-VHDGCEQUSA-N 336.457 1.511 0 40 EDAB COCCOc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 75610263 RNFZNIKGSQNGDJ-OAHLLOKOSA-N 330.388 1.781 0 40 EDAB C[C@H]1CN(C(=O)CCCc2nc(C3CC3)no2)C[C@H]1N1CCOCC1 76052143 OBCNJFHGJPRDHB-DZGCQCFKSA-N 348.447 1.449 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)no1 76043569 JSRFXBATWOEKLY-CQSZACIVSA-N 328.372 1.922 0 40 EDAB COc1ccc2c(C)c(CC(=O)N[C@H](C)C(=O)O)c(=O)oc2c1C 11865472 OBXIDNNXFQACNF-SNVBAGLBSA-N 333.340 1.550 0 40 EDAB biogenic COC(=O)[C@H]1[C@@H](c2cccc(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 4385895 NPXLGNAPIFIVDK-DXCKQFNASA-N 332.356 1.352 0 40 EDAB NC(=O)C1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 6764321 WHILYSTWIRMYFT-UHFFFAOYSA-N 326.396 1.979 0 40 EDAB biogenic CCSc1ccc(C(=O)OCCN(C)S(=O)(=O)N(C)C)cn1 78715078 YTQWAVIIAPNGSK-UHFFFAOYSA-N 347.462 1.089 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)c3cccc4nc(O)[nH]c34)C2)n[nH]1 569257537 YUDWNMRWPKVUCD-SNVBAGLBSA-N 326.360 1.715 0 40 EDAB CC[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)c1nc(C)cs1 188425290 MRKMDECZEAPFNJ-GHMZBOCLSA-N 333.404 1.985 0 40 EDAB CN(C)C(=O)c1cccc(CCNc2cnn(C)c(=O)c2Cl)c1 78340688 JMMZYRYIHXAGOV-UHFFFAOYSA-N 334.807 1.790 0 40 EDAB CCc1c(C(=O)NCCc2nc(=O)o[nH]2)cnn1-c1ccc(C)cc1 562500885 GJBDURPROHRUQV-UHFFFAOYSA-N 341.371 1.392 0 40 EDAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C)nc2)cc1 72330253 CQDDREPPRTXIQY-UHFFFAOYSA-N 328.324 1.972 0 40 EDAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)C)s2)cc1 224179877 YGVOEABMGLUKMK-UHFFFAOYSA-N 326.403 1.349 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 223274301 FBINEFWOJHKVBJ-UHFFFAOYSA-N 348.424 1.598 0 40 EDAB O=C1CC[C@@H](N2CCN(c3cnc4ccccc4n3)CC2)CCN1 575603137 DQUWCDPEBDMROV-CQSZACIVSA-N 325.416 1.421 0 40 EDAB Cc1cc(N2CCN(C(=O)NCCOCC(F)(F)F)CC2)n[nH]1 225467405 OVUWGAZAXJXEKP-UHFFFAOYSA-N 335.330 1.129 0 40 EDAB O=C1[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)N1C[C@@H](O)C(F)(F)F 195564190 YCABOBLYACBKHH-FRRDWIJNSA-N 342.317 1.027 0 40 EDAB Cc1ncsc1CCS(=O)(=O)NCc1cc(C(=O)O)c(C)o1 575043392 YCFRCGNHMDWUIA-UHFFFAOYSA-N 344.414 1.713 0 40 EDAB COC[C@H]1CCC2(CCN(C3CCCC3)CC2)N1S(C)(=O)=O 96209164 LEIPXNREALHWKH-OAHLLOKOSA-N 330.494 1.834 0 40 EDAB Cc1ccc(CN2CCC3(CC2)C[C@@H](OCC(=O)N(C)C)CO3)o1 96047825 WDFHIEAKECUVFR-MRXNPFEDSA-N 336.432 1.816 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)c3ccc4c(c3)OCCCO4)C[C@@H]2C1 96107957 BLNKCFCKKWVQME-WMLDXEAASA-N 332.400 1.251 0 40 EDAB CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 583615134 HDQGWPLLRGBBEE-PSASIEDQSA-N 348.325 1.753 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Cn2cccn2)cc1 583616134 MWBMSCIYWCYOFX-FUHWJXTLSA-N 329.400 1.790 0 40 EDAB CS(=O)(=O)CCC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 96423016 WTRKMAWNWBVXGX-GFCCVEGCSA-N 344.864 1.860 0 40 EDAB COC(=O)CCNC(=O)c1c(C)cccc1I 96475987 GFHYEHYPCSWBPG-UHFFFAOYSA-N 347.152 1.893 0 40 EDAB CCOC[C@]12CCCO[C@@H]1CCN(S(=O)(=O)c1cccnc1)C2 96039427 NDKIGEMIYPQSPT-HZPDHXFCSA-N 340.445 1.678 0 40 EDAB CN(C)C[C@]12COC[C@H]1CN(S(=O)(=O)c1ccc(F)cc1)C2 96206360 DUVAGIDLOOJKKT-DOMZBBRYSA-N 328.409 1.024 0 40 EDAB CNC(=O)CN1CCC2(CCCN(C(=O)Cc3ccsc3)C2)CC1 96071819 YQEBRYHWYCAJBH-UHFFFAOYSA-N 349.500 1.741 0 40 EDAB Cc1cc(N2C[C@H]3CCN(C)C[C@H]3C2)n2nc(C(F)(F)F)nc2n1 585092141 GQSJGFKBSIBLKO-MNOVXSKESA-N 340.353 1.839 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1ccccn1)C2)c1cscn1 96108493 DPZLUEZHCQHZRL-DYVFJYSZSA-N 344.440 1.417 0 40 EDAB CS(=O)(=O)N1CCCCC12CCN(C(=O)c1ccccn1)CC2 96239834 PVAKQGJZMPDOHC-UHFFFAOYSA-N 337.445 1.502 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)Nc1ccccc1Cn1cncn1 95396313 YOEDRFNYEHFDPE-LBPRGKRZSA-N 336.417 1.478 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 236719318 MEBRLOZRBCSSAI-INMHGKMJSA-N 325.497 1.708 0 40 EDAB Cc1cccc(N2C[C@]3(CCN(S(=O)(=O)C4CC4)C3)CC2=O)c1 96077407 RLDAKDOMGBBJBW-QGZVFWFLSA-N 334.441 1.916 0 40 EDAB O=C(c1ccccc1)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 96202335 UAYSPWYUIYOSOL-LJQANCHMSA-N 338.411 1.846 0 40 EDAB CSc1nn(C)c2ncn(C[C@H](O)c3ccccc3C)c(=O)c12 95404038 MIVWGJAGMUUMLY-LBPRGKRZSA-N 330.413 1.894 0 40 EDAB COc1ccc2nnc(CCCC(=O)NCCc3nccs3)n2n1 96118787 YUGQSGCJULSWPQ-UHFFFAOYSA-N 346.416 1.271 0 40 EDAB O=C(NCCc1cscn1)[C@H]1CN(Cc2ccccc2)CCO1 96420800 HSOIOTMIAJLXLW-MRXNPFEDSA-N 331.441 1.703 0 40 EDAB O=C(NC1CC1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc3c(c2)OCO3)O1 96187266 BDGQKXVFPBTWTJ-BFYDXBDKSA-N 344.411 1.816 0 40 EDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccsc2)cn1 96186494 ROLVNUUPSWOQCT-ZIAGYGMSSA-N 330.413 1.892 0 40 EDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)CO)cc1 242495940 GTYISAMDORGFHF-SQNIBIBYSA-N 347.436 1.633 0 40 EDAB Cn1cc(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)cn1 248157495 WDWBBSZZBRXXEX-DJIMGWMZSA-N 328.416 1.874 0 40 EDAB O=C([C@H]1CCCO1)N1[C@H]2CC[C@H]1Cn1c(nc3ccccc3c1=O)C2 247949224 RZXYFVWVHXXPJW-HEHGZKQESA-N 339.395 1.491 0 40 EDAB C[C@]1(CNC(=O)[C@H]2CC(C(=O)O)=NN2c2ccccc2)CCOC1 585134439 TUELLSHMDRXAKG-RHSMWYFYSA-N 331.372 1.249 0 40 EDAB Cc1cc(C(=O)NC[C@H](CC(=O)O[C@@H]2CCOC2)CC(C)C)ncn1 585130462 QOJVSMCCFOIHMP-LSDHHAIUSA-N 349.431 1.899 0 40 EDAB Cn1cncc1CN1CCC[C@]1(C(=O)N1CCCC1)c1cnccn1 257269158 MOVBYDLXYNNKAL-GOSISDBHSA-N 340.431 1.324 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCOC[C@@H]2c2nc(C)c[nH]2)ccn1 257264513 LUTRPGKCKIZONV-CYBMUJFWSA-N 329.360 1.285 0 40 EDAB Cc1cc(C[C@H]2COCCN(C(=O)Cc3csc(C)n3)C2)ncn1 257329578 XKNYXDQSZDXCNI-CQSZACIVSA-N 346.456 1.810 0 40 EDAB CC1(c2ccccc2)CC(NC(=O)CCC(=O)N2CCC(O)CC2)C1 252489229 JLONJIPOOZTCBE-UHFFFAOYSA-N 344.455 1.986 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)ncn1 257200911 AFIFQQKWIZBBCQ-CQSZACIVSA-N 341.415 1.471 0 40 EDAB Nc1cccc([C@@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 257237053 HEYHUOWCWOSLFM-HNNXBMFYSA-N 331.347 1.782 0 40 EDAB COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)N[C@@H](C)C[S@](C)=O)C2 252511067 ZSYXGLMYLKJONB-HPZDSLGSSA-N 330.450 1.128 0 40 EDAB CN(C)c1ccc(C(=O)N[C@H]2CCc3nn(C)c(=O)cc3C2)cc1 253395049 WMDOFDSHIASQEN-AWEZNQCLSA-N 326.400 1.134 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@@H](c3ccnc(C)c3)C2)on1 257339320 ZBFXYUAMGBPZPC-OAHLLOKOSA-N 331.372 1.919 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1cnc(Br)cn1 257330130 XMZJNLWFLKOGTC-SECBINFHSA-N 335.227 1.182 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)c1ccc(-n2cncn2)nn1 96097833 PBGRFXGWQDSHQT-UHFFFAOYSA-N 338.327 1.486 0 40 EDAB COc1cccc2c1CC[C@]2(N)c1nc(CCN(C)C(C)=O)no1 1615058462 NHEDYFMACVMDOF-QGZVFWFLSA-N 330.388 1.248 0 40 EDAB NC(=O)[C@]1(O)CCN(C(=O)NC2CCC(c3ccc(F)cc3)CC2)C1 1615057623 VDOLODOONYZQJP-RWKZGTHUSA-N 349.406 1.484 0 40 EDAB CCOc1cc(C(=O)N[C@H](C)C(=O)N2CCc3ccccc32)on1 1615572137 RPKOZFVQTWUVJX-LLVKDONJSA-N 329.356 1.781 0 40 EDAB CC(=O)c1sc(NC(=S)N[C@]2(C)CCS(=O)(=O)C2)nc1C 575425465 ZDVPWGUBCBROOR-GFCCVEGCSA-N 347.487 1.518 0 40 EDAB Cc1cc(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)no1 585268919 DPOYJMNTCNVUMJ-QGZVFWFLSA-N 336.363 1.764 0 40 EDAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CN2CCCC2)[C@@H](O)C1 585282266 CHDVKNNGHFKKCQ-RDJZCZTQSA-N 338.835 1.374 0 40 EDAB C[C@@H](O)CN1CCN(C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 69921986 TUEQMTCWHNWUDR-DOMZBBRYSA-N 348.365 1.617 0 40 EDAB COC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O 69770285 XLLJJIWWOCNYAI-NSHDSACASA-N 347.190 1.451 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 69778061 ZYOGSIONKIMBOD-HNNXBMFYSA-N 346.431 1.021 0 40 EDAB O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1ccccn1 45572420 WTHOJULKDNPCSQ-UHFFFAOYSA-N 341.419 1.205 0 40 EDAB CCN(CC)C(=O)CN(C)CCS(=O)(=O)Oc1ccccc1 53420135 DHEKOJZWBGFVFG-UHFFFAOYSA-N 328.434 1.195 0 40 EDAB CCCC(=O)N1CCC(C(=O)NCCNC(=O)c2ccco2)CC1 55117098 KCHWRHWSQBLLTN-UHFFFAOYSA-N 335.404 1.164 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@H]1CC(=O)N(C)C1 75105728 FFLLQHXLIUSICS-AWEZNQCLSA-N 341.415 1.519 0 40 EDAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCN(CC(N)=O)CC1 84041404 VVMIBRJOPASPQM-HNNXBMFYSA-N 346.475 1.695 0 40 EDAB Cc1cnc(CN(C)[C@@H]2CCN(CC(=O)NCc3ccccn3)C2)o1 84258723 GAADEYPNQRGKBU-MRXNPFEDSA-N 343.431 1.201 0 40 EDAB Cn1cnc(S(=O)(=O)Nc2ccccc2[S@@](C)=O)c1Cl 84331767 NJHPSLRKSSVODW-IBGZPJMESA-N 333.822 1.612 0 40 EDAB O=S(=O)(Cc1ccon1)N(CCO)[C@H]1CCCc2ccccc21 95433133 NSCSZZUYMMDYRG-INIZCTEOSA-N 336.413 1.876 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)N1CCCC1)Cc1ccccc1Cl 548534637 SLVKFCVCYPQLAO-LBPRGKRZSA-N 346.836 1.514 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCCN1CCNS(C)(=O)=O 77371439 UCOPPXNPTSDLTG-OAHLLOKOSA-N 325.478 1.132 0 40 EDAB Cn1nc(C2CCOCC2)cc1C(=O)NCC(=O)NC1CCCCC1 1615612324 GIPAZEZPJMMQIC-UHFFFAOYSA-N 348.447 1.493 0 40 EDAB C[C@H](c1cccc(F)c1)N1CCN(CC(=O)Nc2cccnn2)CC1 1615002436 CSHARMUMLMIPKZ-CQSZACIVSA-N 343.406 1.933 0 40 EDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)O)CC1)O2 12087121 TVEWRJZYGKEPDB-KPZWWZAWSA-N 346.383 1.342 0 40 EDAB Cc1sc2nc(C)n3c(=O)n(CC(=O)NC(C)C)nc3c2c1C 12144880 PVFWNUYPQMLPMA-UHFFFAOYSA-N 333.417 1.556 0 40 EDAB Cc1nnc(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)s1 14680828 VKFKEDCATRKSME-SECBINFHSA-N 332.385 1.989 0 40 EDAB CN1CCN(C(=O)[C@H](C(=O)c2ccccc2)n2ccccc2=O)CC1 19810138 RZWIDUWTVQUJPL-KRWDZBQOSA-N 339.395 1.046 0 40 EDAB COc1cc(C)nc(N2CCC(C(=O)NCc3ccco3)CC2)n1 35315748 YOQKHVGSPHFFOS-UHFFFAOYSA-N 330.388 1.919 0 40 EDAB COC(=O)Cn1cc(COc2ccc(F)c3c2C(=O)C[C@@H]3C)nn1 578723911 POJWUGVXDTYRCK-VIFPVBQESA-N 333.319 1.859 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(C(=O)c2ccoc2Cl)C1 583619067 LJVQEIGXHUMBHF-KOLCDFICSA-N 347.762 1.973 0 40 EDAB Cc1nc(N2C[C@H]3CN(C(=O)[C@@H]4CC4(C)C)C[C@H]3C2)nc(O)c1F 1888844509 BSFOMYBQCGFNKF-TUAOUCFPSA-N 334.395 1.570 0 40 EDAB O=C(N[C@H]1CCN(C2CCOCC2)C1)c1ccc2nccnc2c1 1888847504 MNWAURIJUQAWCD-AWEZNQCLSA-N 326.400 1.613 0 40 EDAB COc1cccc(CC(=O)N2CC[C@@H](n3cc(NC(C)=O)cn3)C2)c1 1888870268 SSZGKVOSOQXTIG-MRXNPFEDSA-N 342.399 1.866 0 40 EDAB Cc1cnccc1CN1CCO[C@]2(COCC(=O)N(C(C)C)C2)C1 2037980830 JTNRWLLYODSILM-GOSISDBHSA-N 333.432 1.228 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2ccccc2C)C1 2055772016 RCQUBCXYCCEASP-SFHVURJKSA-N 326.400 1.569 0 40 EDAB Cc1ccc(NC(=O)C[C@@H](NCCCN2CCOCC2)C(=O)O)cc1 22996910 QFGNKSRKTWTDJW-MRXNPFEDSA-N 349.431 1.089 0 40 EDAB O=C(c1cc(-c2cccnc2)on1)N1CC[C@@H](Oc2ccncn2)C1 575610690 NDCIQVSYLKPWHX-CYBMUJFWSA-N 337.339 1.820 0 40 EDAB COc1cccc(N2CCN(c3ncnc4c3ncn4C)CC2)n1 2298067088 DIBQLNXMIBMIKV-UHFFFAOYSA-N 325.376 1.094 0 40 EDAB CC(C)(CNC(=O)CSc1nc2ccccc2[nH]1)N1CCOCC1 30013737 XSOAUQOHGOFWMN-UHFFFAOYSA-N 348.472 1.882 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2)nc1 40487768 LWUQYJPONRCEFF-LBPRGKRZSA-N 337.449 1.410 0 40 EDAB CCNC(=O)CN1CCN([C@H](C(=O)O)c2c[nH]c3ccccc23)CC1 20727607 PVQRPNLHOLQITD-KRWDZBQOSA-N 344.415 1.047 0 40 EDAB NC(=O)c1cc(NC(=O)c2cc3ccccc3cc2O)cc(C(N)=O)c1 208541 LNHPQYOJGAZPEN-UHFFFAOYSA-N 349.346 1.996 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)c2ccccc2)n(C)c1 32473547 BRWBRIHHMLFDPB-UHFFFAOYSA-N 349.456 1.641 0 40 EDAB Cc1cccc(Cn2cc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cn2)c1 102603231 GPJXSXZTXRZBOT-NCOADZHNSA-N 337.379 1.907 0 40 EDAB C[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)c2ccccc2S1 33163066 IKRGABCLHIVKNQ-GFCCVEGCSA-N 345.424 1.465 0 40 EDAB COc1cccc([C@H](CNC(=O)CCn2cncn2)N2CCCC2)c1 41946512 PTRRIAWXBGWWJQ-KRWDZBQOSA-N 343.431 1.630 0 40 EDAB Cc1noc(C2CCN(CC(=O)N3CCO[C@H]4CCCC[C@@H]43)CC2)n1 53619592 MUAUKCAEJBCSOI-HOTGVXAUSA-N 348.447 1.727 0 40 EDAB Cc1cccc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)nc2)c1 23131114 HQXFEQSTYDDUMF-UHFFFAOYSA-N 336.355 1.339 0 40 EDAB O=C(Nc1ccc(-n2cc(CO)nn2)cc1)c1cnn2c1CCCC2 97102564 OONRXOOSJVVGCQ-UHFFFAOYSA-N 338.371 1.545 0 40 EDAB Cc1cc(C)cc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)c1 12409253 JPINBYLIANZOEL-UHFFFAOYSA-N 325.372 1.914 0 40 EDAB CCc1cnc(CN(C)[C@H]2CCN(CC(=O)Nc3cc(C)no3)C2)o1 78891913 SVRLJWHBMSPMBE-ZDUSSCGKSA-N 347.419 1.678 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[S@@](=O)C(C)(C)C1 79074606 DVXQAFWUAGZKPA-PSVOKBTDSA-N 343.493 1.234 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1 42659523 OEVJDTFJIPWYMP-UHFFFAOYSA-N 342.380 1.923 0 40 EDAB Cc1nn(C(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1Br 2764443 HVVKFOQIMSDSBK-KATARQTJSA-N 343.177 1.781 0 40 EDAB C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N1C[C@H](C)C[C@@H](C)C1 105760359 FLEGEOZIMNJPJO-UPJWGTAASA-N 326.437 1.585 0 40 EDAB CCC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 6945002 PFUVPYBVUDJHDX-GFCCVEGCSA-N 328.434 1.766 0 40 EDAB C[C@@H](O)C1CCN(c2nccnc2N2CCC([C@@H](C)O)CC2)CC1 97144844 LWDNKGNLZLHNHW-ZIAGYGMSSA-N 334.464 1.671 0 40 EDAB Cc1c(C2=NO[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)cnn1C 101497879 OAFCXRAKTZWPOZ-GXTWGEPZSA-N 344.758 1.674 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NCc3ccco3)CC2=O)cc1 34916643 JHEHGMDSMKWONR-AWEZNQCLSA-N 328.368 1.953 0 40 EDAB C[C@@H]1CCCCN1CCNC(=O)N1CCC(C(=O)NC2CC2)CC1 56864861 ZYHGVWXQDBZAMY-CQSZACIVSA-N 336.480 1.561 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 44775288 IYTMNSYWEYBELO-CQSZACIVSA-N 340.387 1.096 0 40 EDAB COc1ccc(OC)c([C@@H](C)NC(=O)N2CCC(C(N)=O)CC2)c1 48232065 CFMSGQXSMFSDQW-LLVKDONJSA-N 335.404 1.672 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2cccnc2N2CCCC2)C1 44893840 GQQUKPNZHVPTRN-MRXNPFEDSA-N 346.475 1.768 0 40 EDAB CNC(=O)NC(=O)CN[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 58201180 QVSAIEKBJNHVIV-QGZVFWFLSA-N 345.374 1.969 0 40 EDAB CNC(=O)COc1cccc(CNC(=O)c2n[nH]c3ccccc23)c1 58282232 SQTQVEFBJYWWHT-UHFFFAOYSA-N 338.367 1.618 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)COC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 101244422 ACRQKMKKIIBDSE-NCOADZHNSA-N 340.464 1.574 0 40 EDAB CCOC(=O)N1CCCN(S(=O)(=O)c2cccc(F)c2F)CC1 58314695 NYVIYCHGIITGPC-UHFFFAOYSA-N 348.371 1.818 0 40 EDAB O=C1NCCN1CCN1CCN(C(=O)c2ccccc2Cl)CC1 58401613 IMXFWSVQQROQGQ-UHFFFAOYSA-N 336.823 1.123 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2nn(-c3ccccc3)nc2C)CC1 28197430 XUPDHCRHZMOYSW-UHFFFAOYSA-N 343.387 1.490 0 40 EDAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1 95455722 SSAJAIFGHKPNLL-SMDDNHRTSA-N 326.418 1.075 0 40 EDAB CCCCNC(=O)COC(=O)c1cc(OC)c(OC)cc1OC 3376310 ZYDIPQQPHATWAC-UHFFFAOYSA-N 325.361 1.786 0 40 EDAB O=C(Cn1nnn(-c2cccs2)c1=O)NCCC1=CCCCC1 11154586 GINQKYBKERKKDG-UHFFFAOYSA-N 333.417 1.497 0 40 EDAB CN1CCN(CCCNC(=O)c2sccc2-n2cccc2)CC1 48345074 FYCYTOHMIPIWMH-UHFFFAOYSA-N 332.473 1.906 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H]1CCCCNC1=O 45666110 UDTLZSDQBYCENJ-CHWSQXEVSA-N 333.388 1.137 0 40 EDAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCN1CCCC1 10112492 RTBPILTVPFVDIG-UHFFFAOYSA-N 339.461 1.582 0 40 EDAB CNC(=O)CCS(=O)(=O)Cc1noc(-c2ccc(Cl)cc2)n1 46175730 IOFUZXKQSMGTHB-UHFFFAOYSA-N 343.792 1.441 0 40 EDAB COc1cccc(N2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)c1 29003589 BTNZQUMQWPXJQV-UHFFFAOYSA-N 327.384 1.356 0 40 EDAB CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(C)cc(C)c2)CC1 2655658 GGYLLYJKZICBHO-UHFFFAOYSA-N 347.415 1.334 0 40 EDAB CN1C[C@H](C(=O)NCc2cccnc2OCc2ccccc2)CC1=O 48413075 HJZAENTYSMQKMC-MRXNPFEDSA-N 339.395 1.755 0 40 EDAB C[C@@H](Cn1cncn1)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 95421175 NROGLULEAQWZHP-WDEREUQCSA-N 326.397 1.560 0 40 EDAB C[C@@H](C[S@](C)=O)N(C)CC(=O)NCCOc1ccc(Cl)cc1 96012882 UJDQHSSUFUHITN-AMXDTQDGSA-N 346.880 1.534 0 40 EDAB CCCNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)C2CC2)CC1 306134164 NEVZBNRWRIKUEG-UHFFFAOYSA-N 345.447 1.383 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CCO[C@]2(CCOC2)C1 95457461 QBASSSNDSLKUOQ-SUMWQHHRSA-N 334.372 1.553 0 40 EDAB COc1ccc2nnc(CCCC(=O)NCCc3ccccn3)n2n1 96118632 DEFWOZFSCHJNCO-UHFFFAOYSA-N 340.387 1.210 0 40 EDAB Cc1ccc(C(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 6033794 WIBNOWIRBJNUFI-GFCCVEGCSA-N 340.383 1.494 0 40 EDAB CC[C@H](C(=O)NCCc1ccn(-c2ccccc2)n1)N1CCCC1=O 95404185 OYFRMTUWWPRTKG-QGZVFWFLSA-N 340.427 1.932 0 40 EDAB O=C(Cn1cnnn1)Nc1nc(-c2ccc3c(c2)CCC3)cs1 13985583 FVLJYLVALHSNEV-UHFFFAOYSA-N 326.385 1.924 0 40 EDAB NC(=O)[C@@H]1CCN(Cc2cc3c(cc2Br)OCO3)C1 65493881 MJPHKNAHKMLTLG-MRVPVSSYSA-N 327.178 1.485 0 40 EDAB COC(=O)C(C)(C)N(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 65495543 GIMMDTXCVAXHPZ-UHFFFAOYSA-N 343.401 1.420 0 40 EDAB COc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccco2)ccc1OCC(N)=O 65477353 NMEASJCVNJOFLH-CHWSQXEVSA-N 344.367 1.572 0 40 EDAB NC(=O)CC1CCN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CC1 65410567 NHJVJSAAXOKPCF-UHFFFAOYSA-N 341.415 1.874 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1cnc(-c3ccccc3)nc1)CC2 65575573 VLRKPFBHJAFNLU-OAHLLOKOSA-N 334.383 1.788 0 40 EDAB C[C@H](Oc1ccccc1C(N)=O)C(=O)Nc1ccc2c(c1)OCCO2 5346772 HEHSUVVLJRQZDX-NSHDSACASA-N 342.351 1.963 0 40 EDAB CCCCn1c(N)c(N(CC)C(=O)c2ccc(C)cc2)c(=O)[nH]c1=O 6509208 RJPVZSIRMFOLAX-UHFFFAOYSA-N 344.415 1.894 0 40 EDAB C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(N)=O 6532447 ZMWBSMZOVBUBPE-SNVBAGLBSA-N 329.385 1.947 0 40 EDAB O=C(COc1nsnc1N1CCOCC1)NC1CCCCC1 6658488 AHFHHYFIKAWPSY-UHFFFAOYSA-N 326.422 1.202 0 40 EDAB COCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 6929678 PJOLVQUZZNPZFH-STQMWFEESA-N 340.445 1.938 0 40 EDAB CCOCCc1nnc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)s1 4975823 BORKCQYGHYMSOW-SNVBAGLBSA-N 340.449 1.703 0 40 EDAB CC(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O 15399199 QCFPUWBIYKWRQL-OAHLLOKOSA-N 325.315 1.256 0 40 EDAB C[C@@H]1CN(C(=O)CN2CCC[C@H](Cc3nccn3C)C2)C[C@@H](C)O1 90004451 ODPCIIPVZRLGGX-BZUAXINKSA-N 334.464 1.310 0 40 EDAB C[C@@H]1CN(C(=O)C[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)[C@H](C)CO1 71817344 SVGJADSKQKFDHM-JTNHKYCSSA-N 349.362 1.276 0 40 EDAB O=C(NCCCn1cccn1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 80989166 MBFAOZXEUNNDMK-HNNXBMFYSA-N 347.463 1.754 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(C/C=C/c2ccccc2)CC1 16440242 HEAQUWHHJSREAD-BBOMDTFKSA-N 348.468 1.279 0 40 EDAB COc1cccc(CC(=O)N2CCN(c3cc(C)nc(C)n3)CC2)c1 68997735 JVQZETXQWPVAIJ-UHFFFAOYSA-N 340.427 1.993 0 40 EDAB Cc1nsc(N2CCCN(C(=O)NCc3ncccc3C)CC2)n1 74106227 IDOVFMVWFGDHSP-UHFFFAOYSA-N 346.460 1.972 0 40 EDAB CNC(=O)CN(C)C(=O)/C=C/c1cc(Br)ccc1OC 8133597 QKDFOVOEDHNJPM-QPJJXVBHSA-N 341.205 1.675 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)COc2cccc(C(N)=O)c2)c1 70007950 GWZPKUAAIKOTDD-OAHLLOKOSA-N 342.399 1.360 0 40 EDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)OC[C@H]2C)c1 69454874 XXFJMWYVMOMCRF-ZJUUUORDSA-N 346.836 1.498 0 40 EDAB C[C@@H](NC(=O)CC1CCCC1)C(=O)Nc1ccc(-n2cncn2)nc1 69442313 CJSKWURQMRFURK-GFCCVEGCSA-N 342.403 1.686 0 40 EDAB O=C(NCCc1ccc(F)cc1)[C@@H]1CS(=O)(=O)c2ccccc2O1 69417855 IUSZIPBRDUEADI-HNNXBMFYSA-N 349.383 1.719 0 40 EDAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 8403459 HREVBHNSPQKEKU-OAHLLOKOSA-N 346.431 1.557 0 40 EDAB O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCS(=O)(=O)C1 69593894 QZYQWPLTXXAVSY-PWSUYJOCSA-N 344.383 1.094 0 40 EDAB CC(=O)N(CCC(=O)N[C@@H](C)Cn1ccnc1)Cc1ccccc1 69567309 NBSKBMISUQPEEW-HNNXBMFYSA-N 328.416 1.827 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)nn1 69512635 VTQXYOJYUBNTOH-QGZVFWFLSA-N 338.411 1.827 0 40 EDAB Cc1cc(C)n2cc(CN3CCCC[C@@H]3Cn3cncn3)nc2n1 69696913 BMBRUHACPBKHKP-MRXNPFEDSA-N 325.420 1.992 0 40 EDAB CCC(=O)Nc1ccc(S(=O)(=O)NCCN(CC)CC)cc1 69666345 HLIODBHGUREBEJ-UHFFFAOYSA-N 327.450 1.655 0 40 EDAB CCOCCN1CCN([C@H](C(=O)NC(C)C)c2ccccc2)CC1 69627099 KZFXWPONZWVRBD-SFHVURJKSA-N 333.476 1.906 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@H]1COc3cc(OC)ccc3C1)C2 69653150 VVBDXKQTXLRURD-CYBMUJFWSA-N 342.399 1.443 0 40 EDAB CCN1CCO[C@@H](CNc2ccc3nnc(-c4ccccc4)n3n2)C1 69739550 FXMZAIUGGQGHEZ-HNNXBMFYSA-N 338.415 1.924 0 40 EDAB COC(=O)N1CCCN(C(=O)c2ccc(-n3cccn3)c(F)c2)CC1 69774590 HMTLKMLTGZYNIB-UHFFFAOYSA-N 346.362 1.926 0 40 EDAB CN1CCN(C)c2cc(NC(=O)CNC(=O)C(C)(C)C)ccc2C1 95992839 ZABJCAVJVGLXSI-UHFFFAOYSA-N 332.448 1.669 0 40 EDAB COCCCNC(=O)[C@H](C)N1CCCC[C@@H]1Cn1nc(C)cc1C 69925565 BHRVDHQXPDGTIA-DLBZAZTESA-N 336.480 1.896 0 40 EDAB Cn1cc(-c2ncc(C(=O)NC3CCC(C(N)=O)CC3)s2)cn1 69969176 JYURORKCBXEILA-UHFFFAOYSA-N 333.417 1.318 0 40 EDAB COc1ccc(CC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 8743553 XCENHEMJFMYEKW-UHFFFAOYSA-N 340.427 1.624 0 40 EDAB CCCS(=O)(=O)c1nnc(NC(=O)/C=C/c2ccco2)s1 8743682 LXHZRBGHUBYRCD-AATRIKPKSA-N 327.387 1.967 0 40 EDAB O=C1NCCN(C(=O)[C@H]2CCCO2)[C@@H]1c1ccccc1C(F)(F)F 97081673 BXHQSZAMQPOVPV-CHWSQXEVSA-N 342.317 1.884 0 40 EDAB NC(=O)c1ccccc1COC(=O)c1sccc1-n1cnnn1 72273561 LYIKMPBTDXFGNU-UHFFFAOYSA-N 329.341 1.180 0 40 EDAB CCN1C[C@H](C(=O)N2CCCC[C@@H]2Cn2nc(C)cc2C)CC1=O 72279947 QYUVZDBKTXUYDT-HZPDHXFCSA-N 332.448 1.749 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)n1 72235355 PGOITJAZYVHXLE-AWEZNQCLSA-N 339.403 1.503 0 40 EDAB O=C(CCNC(=O)CSCc1ncc[nH]1)NCc1ccccc1 72275255 BRGPGIOQWXPDIL-UHFFFAOYSA-N 332.429 1.466 0 40 EDAB Cn1cc(CCC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)cn1 97198209 WBGSYVHUSFEKDS-AWEZNQCLSA-N 329.448 1.978 0 40 EDAB CN1CC[C@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CC1=O 75141606 UMMRQHTZCBTFFN-HNNXBMFYSA-N 335.448 1.106 0 40 EDAB COCCN(CCN(C)C)C(=O)Nc1cccc(N2CCNC2=O)c1 75128011 JRGMCWJIEOEORM-UHFFFAOYSA-N 349.435 1.258 0 40 EDAB CCC[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 20567849 DKYKUHONWAMQIF-CYBMUJFWSA-N 327.450 1.604 0 40 EDAB C[C@H]1CCCCN1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 32850924 HAMKYHUVZSWGFH-LBPRGKRZSA-N 337.445 1.098 0 40 EDAB COc1cccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c1OC(C)C 408593787 RGTBFIREQUYOCI-YRNVUSSQSA-N 334.328 1.460 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)c(C)c1 188284149 NPNREVGXONZQAB-UHFFFAOYSA-N 334.445 1.946 0 40 EDAB CCS(=O)(=O)N1CC[C@@H](Oc2ncc(Br)cn2)C1 606440895 PCTYEAHTCANQTI-SECBINFHSA-N 336.211 1.042 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@@]2(N)C(=O)O)cc1 218643175 YPVCWLHYZRDBNT-VYDXJSESSA-N 349.383 1.856 0 40 EDAB CN1CCC[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)C1 72908571 OXWWSLOWEMEHMK-QGZVFWFLSA-N 329.444 1.767 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCCn2ccnc2)[C@@H]1c1cccc(Cl)c1 79359200 JCQQBFVCQQBCTH-HOCLYGCPSA-N 346.818 1.872 0 40 EDAB CSCc1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 72240335 FSONMWPXQXKVGN-LLVKDONJSA-N 335.472 1.015 0 40 EDAB CCN1CCCC[C@@H]1CNC(=O)N1CCN(Cc2cccnc2)CC1 78926039 AKGVRLJWLDVBRH-GOSISDBHSA-N 345.491 1.783 0 40 EDAB Cc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)no1 72241770 CDPSTKPLSSXNJN-CABCVRRESA-N 333.319 1.659 0 40 EDAB COCC(=O)N1CCC[C@H]1c1cncc(Nc2nc(C)cc(C)n2)n1 72376293 XSMKRTXOCRLWDX-AWEZNQCLSA-N 342.403 1.937 0 40 EDAB C[C@@]1(c2cnccn2)NC(=O)N(C[C@@H](O)c2ccc(F)cc2F)C1=O 192597782 PTSXLAAGVVVBLC-WBMJQRKESA-N 348.309 1.255 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCC2(N(C)C)CCCC2)c1 40090066 UTGNCNWBRVPPKA-UHFFFAOYSA-N 340.445 1.626 0 40 EDAB Cc1cc(-c2noc(CNS(=O)(=O)c3ccccc3F)n2)no1 225813981 HZUMXBGMQUWXKN-UHFFFAOYSA-N 338.320 1.651 0 40 EDAB CN(CCCNC(=O)c1nc2ccccc2s1)S(C)(=O)=O 44920293 WQLBDJGPKOXJIV-UHFFFAOYSA-N 327.431 1.308 0 40 EDAB Cn1cc([C@]2(C)CN(C(=O)CCc3ccc(O)cc3)CCO2)cn1 195556954 AFXNJGNEMQZMAN-SFHVURJKSA-N 329.400 1.833 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)Nc2cccc(-n3cccn3)c2)cn1 96421856 UYRIKFJWSITZCC-QGZVFWFLSA-N 340.387 1.635 0 40 EDAB Cc1oncc1C(=O)N1CC[C@@]2(CCN(Cc3ccccn3)C2=O)C1 96159483 YGUWPJFEHGITJB-SFHVURJKSA-N 340.383 1.643 0 40 EDAB CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)c2cc(C)n(C)n2)n1 583257758 YGLNIXWGHVBCNO-LLVKDONJSA-N 348.407 1.541 0 40 EDAB O=C(N1CCOCC1)N1CCc2c(ncn2CCc2ccccc2)C1 96500501 WEQAPLAGGIDTJI-UHFFFAOYSA-N 340.427 1.936 0 40 EDAB c1cnc(N2CCOC[C@@H]2c2nccc(NCc3cccnc3)n2)nc1 96218507 OPQKSZJQTCFQLX-OAHLLOKOSA-N 349.398 1.852 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)C1(O)CCSCC1 96487048 WHNKGCTWNZPVPD-GFCCVEGCSA-N 342.411 1.918 0 40 EDAB O=C1C[C@H](c2cccnc2)C2(CCN(c3ncc(F)cn3)CC2)N1 96199714 FENJTMQKVQJVFP-CQSZACIVSA-N 327.363 1.653 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)CN1CCc1cccc(Br)c1 97095430 ROJFEFHDRJKBAD-OLZOCXBDSA-N 328.206 1.600 0 40 EDAB COC(=O)[C@@H](C)CC(=O)Nc1ccc(I)cn1 96483321 BCXNKMQFKBZRAA-ZETCQYMHSA-N 348.140 1.824 0 40 EDAB O=C([C@@H]1CSCN1)N1CC2(CCNCC2)c2cc(Cl)ccc21 96156949 UQPXWBDXIVDGDC-ZDUSSCGKSA-N 337.876 1.970 0 40 EDAB CN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1c(Cl)cnn1C 579615819 UEBFXQHJJIKYDK-UHFFFAOYSA-N 337.763 1.809 0 40 EDAB C[C@]1(CNC(=O)N2CCCN(c3ccccc3)CC2)CCC(=O)N1 333599871 COAQXSSUSWXECZ-GOSISDBHSA-N 330.432 1.577 0 40 EDAB CCc1ncnc(N2C[C@H](OC)C[C@H]2c2nnc3cnccn23)c1F 583617307 FBUPMPCYOCNOFA-PWSUYJOCSA-N 343.366 1.582 0 40 EDAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCC(C)(C)N1CCOCC1 91592164 FPQIWRXFPBBWSK-HNNXBMFYSA-N 349.479 1.984 0 40 EDAB Cc1cccc(C(=O)N2CC[C@]3(CC(C(=O)NCC4CC4)=NO3)C2)c1 96225492 JKNFFCQQHUGTTD-IBGZPJMESA-N 341.411 1.882 0 40 EDAB Cn1cc(CN2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cn1 96048340 NDRBTEQPMOEPAY-RDJZCZTQSA-N 328.420 1.446 0 40 EDAB CC(C)(C)N1C[C@H](NC(=O)N2CCC(n3ccnc3)CC2)CC1=O 96456355 OAEJEHSJYWTFEV-CYBMUJFWSA-N 333.436 1.629 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@]2(CCCN(c3cccnc3)C2)C1 96226349 QAZTUZRTHNJIQC-KRWDZBQOSA-N 327.388 1.316 0 40 EDAB CCc1cnc(CNC(=O)NC[C@H](C)N2CCOC[C@@H]2C)s1 96440573 DZIWFYWDSUGFNV-RYUDHWBXSA-N 326.466 1.614 0 40 EDAB COCCNC(=O)[C@@H]1c2c(ncn2C)CCN1Cc1ccccc1 96147165 OBRRHHCQDCIGBL-KRWDZBQOSA-N 328.416 1.282 0 40 EDAB Cn1ccc(C(=O)N2CCOC[C@H]2c2nccc(NC3CCC3)n2)n1 96216769 RKCFOGWLBINZMF-AWEZNQCLSA-N 342.403 1.388 0 40 EDAB O=C(NCCNc1ncccn1)[C@H]1CCCN(Cc2cccnc2)C1 585146028 NTQULZJQUWTOCG-INIZCTEOSA-N 340.431 1.312 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Nc2ccn(C)n2)cc1 585100464 XNJLENLZQQYFLG-OAHLLOKOSA-N 341.415 1.857 0 40 EDAB COC(=O)[C@@H](Cc1ccncc1)NS(=O)(=O)Cc1cccc(C)c1 585114583 KGUXVQOGJJKJRC-MRXNPFEDSA-N 348.424 1.594 0 40 EDAB CN(Cc1nc(-c2ccc(F)cc2)no1)C[C@H]1CCS(=O)(=O)C1 96419670 QNPGMNBCKIGVSP-LLVKDONJSA-N 339.392 1.742 0 40 EDAB O=C(c1ccncc1)N1CCC[C@@]2(C[C@@H](Oc3ncccn3)CO2)C1 96222624 SJUIOJMAFJHFAO-CRAIPNDOSA-N 340.383 1.714 0 40 EDAB Cc1cc2ncn(C[C@@H](O)Cn3ccnc3S(C)(=O)=O)c2cc1C 95438703 LICHGJAGHLYCIH-ZDUSSCGKSA-N 348.428 1.314 0 40 EDAB Cn1cc(C(=O)N2CC3(C2)OCC[C@H]3COCc2cccnc2)cn1 248154683 VIDFUIIWQYTRRH-INIZCTEOSA-N 342.399 1.263 0 40 EDAB CN(CC(=O)NCc1ccc(Br)cc1)[C@@H]1CCC[C@H]1O 245289957 GHHHDWRPTCPFFC-ZIAGYGMSSA-N 341.249 1.911 0 40 EDAB CCc1cnc(CN(C)C(=O)NC[C@H](C)N2CCOC[C@H]2C)s1 245316659 KBTJDQOYCGWOGD-QWHCGFSZSA-N 340.493 1.956 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@H](CCOc3ncccn3)CCO2)C1 247885163 WSWCGGVJWHJHCX-CYBMUJFWSA-N 344.371 1.555 0 40 EDAB O=C(c1cccc2ncccc12)N1CC[C@@](O)(CN2CCCC2)C1 257335577 YKUUXQSZZFHZHL-LJQANCHMSA-N 325.412 1.908 0 40 EDAB COCc1cccc(C(=O)N[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)c1 257200613 AEBNRNPWSKQRKY-BRWVUGGUSA-N 329.400 1.832 0 40 EDAB CCn1cc(C(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)c(C)n1 257283601 OYYDZURNXBZNBC-ZIAGYGMSSA-N 342.390 1.128 0 40 EDAB COCCC(=O)N1CCC[C@@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1 257337988 YVIGNJDDUIFMOT-CYBMUJFWSA-N 329.404 1.918 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257291556 QHNBOHKJDHGFSL-CYBMUJFWSA-N 343.387 1.306 0 40 EDAB O=C(Cc1ccc2c(c1)CCC2)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257323432 WKCZHUYVNCMUED-QWFCFKBJSA-N 344.455 1.058 0 40 EDAB CC(C)N1CCN(CC(=O)N2CCNC[C@H]2c2ccccc2)CC1 257297225 RGKCGMXCJPTADT-SFHVURJKSA-N 330.476 1.186 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(C(=O)c3cnn(C)c3)CCO2)ccn1 257305883 SRYCMYWPYXQJLM-INIZCTEOSA-N 343.431 1.355 0 40 EDAB CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCc1ccnn1C 1615586579 CGUVMNVJCCYRJP-CABCVRRESA-N 338.452 1.577 0 40 EDAB C[C@]12CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@H]1C2(F)F 292927729 SULHDPUVIZLJCD-YPMHNXCESA-N 330.356 1.451 0 40 EDAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2cc[nH]n2)C3)c1 575403816 KQKMAPWHYJHKRC-OAHLLOKOSA-N 342.399 1.704 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1ccc(F)c(F)c1)C2 585103218 NPCJQCUCZJTKKP-CYBMUJFWSA-N 345.411 1.990 0 40 EDAB COc1cccc(CNC(=O)C[C@@H]2CN(C(C)=O)CC[C@H]2OC)c1 585280144 BKSIITIECJHKKF-NVXWUHKLSA-N 334.416 1.585 0 40 EDAB CSCC(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@H]1C 585096458 OJFXVOPFTFPMBO-LLVKDONJSA-N 348.428 1.672 0 40 EDAB CCN(CC)C[C@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@H]1O 585285869 NJINWPXTJCBHME-WBVHZDCISA-N 340.851 1.620 0 40 EDAB CS(=O)(=O)NC[C@H]1CN(Cc2cccc(F)c2)Cc2ccnn21 585112322 OPHXVHRBUNZIMY-HNNXBMFYSA-N 338.408 1.128 0 40 EDAB O=C(NCCN1C(=O)CCC1=O)c1csc(-c2cccs2)n1 69744975 DVBLNGUBBSKDJB-UHFFFAOYSA-N 335.410 1.750 0 40 EDAB NS(=O)(=O)[C@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 71916575 YAWKTYVAHHOTRM-AWEZNQCLSA-N 344.864 1.942 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]([C@H]1C(=O)O)N2C(=O)OC(C)(C)C 953109633 LCRZOBGVRPRLHD-SEHXVJGASA-N 328.365 1.678 0 40 EDAB CCc1ccc(N2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)cc1 43946080 YYOJQNLBNWUJHP-HNNXBMFYSA-N 326.400 1.615 0 40 EDAB COc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CCCCN3C2=O)cc1 58210619 RDSDNPHNPGMKAQ-SWLSCSKDSA-N 334.372 1.252 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N(CC)[C@@H](C)COC)cc1 58210604 APSUCXIHGXVMKJ-LBPRGKRZSA-N 329.418 1.909 0 40 EDAB COCCCNC(=O)CN(C)C(=O)[C@@H](C)Oc1cccc(Cl)c1 58343510 PCUIFLGCQGEKQZ-GFCCVEGCSA-N 342.823 1.718 0 40 EDAB COc1c(C)cnc(CN(C)C(=O)c2nc3nccc(C)n3n2)c1C 58957685 QHDQRFFNYQXNRJ-UHFFFAOYSA-N 340.387 1.725 0 40 EDAB C[C@H]1CN=C(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)S1 79496753 UQLYOJILBWMBGC-LBPRGKRZSA-N 342.472 1.821 0 40 EDAB CC[C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@@H]1N1CCOCC1 84735827 SYWFJEGCUMTCLJ-WBVHZDCISA-N 334.464 1.230 0 40 EDAB Cn1nnc2c(N3CC(C(=O)NCCC4=CCCCC4)C3)ncnc21 96096743 XMNJNFTVPNIDAF-UHFFFAOYSA-N 341.419 1.201 0 40 EDAB CCn1nnc2c(N3CCN(c4ccccc4F)CC3)ncnc21 5250436 UDEPKAAKZRAPAR-UHFFFAOYSA-N 327.367 1.707 0 40 EDAB COc1ccccc1[C@@H](CNS(=O)(=O)N1CCCC1)N(C)C 12362300 BMCUFKPRRRKMFK-CQSZACIVSA-N 327.450 1.228 0 40 EDAB CN1CCN(C(=O)Cn2c([C@@H]3CCCO3)cc3cccnc32)CC1 19589761 QTWGJODPHKZPPE-INIZCTEOSA-N 328.416 1.662 0 40 EDAB COCC(=O)NCC[C@@H]1CCCCN1C(=O)Cc1csc(C)n1 19745830 HGUDTEGKDDIZQE-AWEZNQCLSA-N 339.461 1.528 0 40 EDAB COc1ccc([C@@H]2NNC(=O)[C@@H]2NC(=O)c2ccc(F)cc2)cc1 6441571 YMIBBNYVFVMYLH-LSDHHAIUSA-N 329.331 1.308 0 40 EDAB O=C(CSc1ncnc2c1cnn2CCO)Nc1ccccc1 82066 ZQDKVTXRAVIYHE-UHFFFAOYSA-N 329.385 1.549 0 40 EDAB CO[C@H]1[C@H](CNC(=O)c2ccc3ncccc3c2)COC[C@H]1OC 643585647 VOAVYNIFZZHCIF-OIISXLGYSA-N 330.384 1.641 0 40 EDAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3c2nccc(OC)n2)nn1 1888843783 PCNGZWPFCBJSOD-PBWFPOADSA-N 330.392 1.596 0 40 EDAB COc1ccc2sc(N3CCC4(CC3)NC(=O)NC4=O)nc2c1 1888919444 UZOSDLRBYCUQRJ-UHFFFAOYSA-N 332.385 1.483 0 40 EDAB Cn1cnc2c(N3CCC(COc4cnccn4)CC3)ncnc21 1889139476 KYVFTCSZSQOXDX-UHFFFAOYSA-N 325.376 1.449 0 40 EDAB O=C(CCn1ccnc1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037913047 MLWQPJXPZJOWHG-SFHVURJKSA-N 347.390 1.845 0 40 EDAB Cn1nc(N2CCN(c3ncnc4ccc(F)cc34)CC2)ccc1=O 2086988581 RVYBAOKYMJIBHS-UHFFFAOYSA-N 340.362 1.189 0 40 EDAB CN(C)C(=O)COCc1cncc2c1CCN(C(=O)c1cc[nH]c1)C2 1565552204 PWEDBJBKJMXPPA-UHFFFAOYSA-N 342.399 1.213 0 40 EDAB Cc1ncnc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)NCC(C)C)C2)c1C 1565545867 RAMMWUBOECFQOI-RBSFLKMASA-N 346.431 1.095 0 40 EDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)C3(F)CCC3)CC[C@H]21 1565549042 NZKONAYJBPSCDG-CABCVRRESA-N 327.444 1.132 0 40 EDAB O=C(COc1ccc(Cl)cc1)NC[C@@]1(OCCO)CCSC1 1565519967 YGIMYDVNLTULMH-HNNXBMFYSA-N 345.848 1.720 0 40 EDAB CCNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3908658 LFVMJSLYLFCNOD-UHFFFAOYSA-N 341.411 1.973 0 40 EDAB Cn1cc(S(=O)(=O)Oc2cccc3ccccc23)c(=O)n(C)c1=O 4338485 OMWKYOTVCJYBNX-UHFFFAOYSA-N 346.364 1.005 0 40 EDAB CNC(=O)C[C@H]1C[C@H]2CN(C(=O)c3c(C)nc4ccccn34)C[C@H]2O1 2055717961 NJBLHMQHQXLTLR-BFHYXJOUSA-N 342.399 1.008 0 40 EDAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3nc(C)nn32)c(OC)c1OC 20736815 KVLWZZSFJJPYON-NSHDSACASA-N 346.343 1.596 0 40 EDAB O=C(N1CCOCC1)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775965546 CKHNVBWMGKRLJC-UHFFFAOYSA-N 346.431 1.897 0 40 EDAB CCOC(=O)CCC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 35598284 VKFJZGBUAVIFHB-UHFFFAOYSA-N 344.415 1.550 0 40 EDAB CN(CCCOc1ccc(F)cc1)Cn1nc2ccccn2c1=O 29586244 RHVOTOFNRDSUKR-UHFFFAOYSA-N 330.363 1.994 0 40 EDAB CC(=O)N1CCC(CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1 105313070 GKVCTFCHSRMKET-SJORKVTESA-N 331.416 1.202 0 40 EDAB O=C(C1CC1)N1CCC(N2C(=O)c3ccccc3S2(=O)=O)CC1 40496858 GOJUSRLNNHYXJW-UHFFFAOYSA-N 334.397 1.232 0 40 EDAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1 127993 VUULETIZQLXZDJ-UHFFFAOYSA-N 337.309 1.589 0 40 EDAB COc1ccccc1C(=O)N1CCN(c2cn[nH]c(=O)c2Cl)CC1 40520086 WPTVFLIJXLHNEA-UHFFFAOYSA-N 348.790 1.394 0 40 EDAB Cc1noc(C)c1[C@@H](C)C(=O)NS(=O)(=O)C[C@@H]1CCCCO1 102139271 HQYHXKCHXXANII-SKDRFNHKSA-N 330.406 1.410 0 40 EDAB Cc1cc(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)on1 52451092 GJRGOAUUNZYEQH-UHFFFAOYSA-N 341.293 1.754 0 40 EDAB CC(=O)N1CCC(NC(=O)c2ccc3nc(C)c(C)nc3c2)CC1 32820635 TWBCIERIJUXWFM-UHFFFAOYSA-N 326.400 1.987 0 40 EDAB C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccco1 32836846 SMYYJDAKIBWLJL-GFCCVEGCSA-N 336.413 1.862 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 41399094 RWNZPWMNRPFNML-UHFFFAOYSA-N 340.445 1.122 0 40 EDAB Cn1c(S[C@H]2CCOC2=O)nnc1[C@@H]1COc2ccccc2O1 21958479 PLXVHTHKIBBCBB-RYUDHWBXSA-N 333.369 1.735 0 40 EDAB C[C@@H](C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)n1cccn1 41575657 NLDVYGZXANPLML-NSHDSACASA-N 347.806 1.672 0 40 EDAB CC(C)(C)c1ncc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cn1 103272671 CZMBJDKJAZKKQX-STQMWFEESA-N 344.415 1.888 0 40 EDAB C[C@H](Nc1ccc2nnc(C(F)(F)F)n2n1)C(=O)N1CCCCC1 47253817 OVLFQVMVVFHPDT-VIFPVBQESA-N 342.325 1.956 0 40 EDAB COCC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 148293 HTWSHSZVLWTNMY-UHFFFAOYSA-N 339.373 1.677 0 40 EDAB O=C(c1cccnc1)N1N=C(c2cccnc2)C[C@]1(O)C(F)(F)F 302773 FPAATCJQXLKSQQ-AWEZNQCLSA-N 336.273 1.978 0 40 EDAB CCc1noc(CN(C)C(=O)c2cnc3sc(C)cn3c2=O)n1 92945531 VMSUWYICZCGBSM-UHFFFAOYSA-N 333.373 1.282 0 40 EDAB CCOC(=O)C(NC(=O)c1cc(F)c(F)cc1Cl)C(=O)OCC 54231127 MOXIGHOAQFJWGJ-UHFFFAOYSA-N 349.717 1.843 0 40 EDAB COC(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)n(-c2ccccc2)n1 71185801 WCNCUCNOHCWRKU-STQMWFEESA-N 343.383 1.908 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)NC[C@@H]2CCN(C3CC3)C2)C1 79457121 HEBYERWVTKARJH-HOTGVXAUSA-N 348.491 1.419 0 40 EDAB COCCN1CCN(CC(=O)NCC2(c3ccccc3)CCC2)CC1 42565370 KAMPBXOAEZNZBZ-UHFFFAOYSA-N 345.487 1.489 0 40 EDAB NS(=O)(=O)c1ccc(CCNc2nccc(C(F)(F)F)n2)cc1 24052720 HIIYJTLPURKCTN-UHFFFAOYSA-N 346.334 1.797 0 40 EDAB O=C(COC(=O)C1(c2ccccc2)CC1)NC(=O)NCc1ccco1 7489621 GZRGUFXVDAXQRK-UHFFFAOYSA-N 342.351 1.880 0 40 EDAB O=C1COc2ccc(NC(=O)c3ccc(-n4ccnc4)nc3)cc2N1 12520378 FVYMPJYKGIULCP-UHFFFAOYSA-N 335.323 1.851 0 40 EDAB COC(=O)C[C@H]1CSCCN1C(=O)CCc1c(C)nn(C)c1C 84012110 CBFFWTUIOAGMPI-ZDUSSCGKSA-N 339.461 1.477 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN([C@H](C)C(=O)Nc3cc(C)on3)CCO2)n1 106665979 ZMWDSLDAANEAEL-CABCVRRESA-N 347.419 1.524 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(c2cnccn2)CC1 25832697 XJBWBFUMRQOAOJ-DUXPYHPUSA-N 338.367 1.567 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(F)cc2)C1 25897618 SSYXIOPTVFAMNW-CYBMUJFWSA-N 328.409 1.156 0 40 EDAB Cc1nc(C)c(CC(=O)NCCN2CCc3ccccc32)c(=O)[nH]1 58160263 HCLPLTQBGMBANH-UHFFFAOYSA-N 326.400 1.108 0 40 EDAB Cc1csc(CN2C[C@H](C(=O)N3CCCCO3)[C@H]3OCC[C@H]32)n1 108528577 LENWSYCYXURHBR-GZBFAFLISA-N 337.445 1.595 0 40 EDAB C[C@@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)N1CCOCC1 58173031 QBFOAIROPBBVKQ-CYBMUJFWSA-N 349.456 1.657 0 40 EDAB CN(Cc1ccccc1F)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 23055528 ZIGDVDADZOFXCI-ZIAGYGMSSA-N 332.375 1.959 0 40 EDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC1CCCC1 44892109 ZFVYGZRJXSBUOJ-UHFFFAOYSA-N 330.432 1.569 0 40 EDAB CCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 58295285 NEGHCGGATWIDPA-KRWDZBQOSA-N 335.379 1.898 0 40 EDAB C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)N(C)C)S(C)(=O)=O 48249050 UBVKHYOSIIFLJW-MFKMUULPSA-N 332.853 1.492 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)NCCc1cccc(O)c1 58341717 OVLSPNKGRXUSDH-UHFFFAOYSA-N 325.430 1.798 0 40 EDAB CC(C)C(=O)N[C@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 58355364 OJDVWHGEVNOQTF-HNNXBMFYSA-N 331.416 1.180 0 40 EDAB CN1CCN(c2ncccc2CNC(=O)/C=C/c2ccco2)CC1 58311503 YSPKREAAMQSAFX-VOTSOKGWSA-N 326.400 1.756 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(c2nccs2)CC1 58442187 MMFHSZBCOPYDJT-ZDUSSCGKSA-N 348.476 1.643 0 40 EDAB CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](NC(C)=O)C2)cn1 48278253 BYDBKEFPDSEFQD-INIZCTEOSA-N 347.463 1.738 0 40 EDAB COc1ccc(OC)c(CCC(=O)NCC(=O)N2CCCCC2)c1 45850608 IKMLMAWUKUVIIY-UHFFFAOYSA-N 334.416 1.765 0 40 EDAB CCN(CC)CCNCc1cc(Cl)c(OCC(N)=O)c(OC)c1 22075770 PMAQIAGNLUTLOL-UHFFFAOYSA-N 343.855 1.644 0 40 EDAB CCOC(=O)C1=C(CN2CCO[C@@H](c3ccccc3)C2)NC(=O)NC1 29534668 DCVYAVMTTUSDHY-MRXNPFEDSA-N 345.399 1.190 0 40 EDAB O=C(CNC(=O)C1CCCC1)NCc1ccc(N2CCCCC2)nc1 48367119 GVEOLYIFNIESFG-UHFFFAOYSA-N 344.459 1.995 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 28248229 DPSJVZLQAXGGTO-UHFFFAOYSA-N 337.445 1.830 0 40 EDAB Cn1nc(CC(=O)NC[C@H]2Cc3ccccc3O2)c2ccccc2c1=O 46278335 SGCXTALUEUUCJB-CQSZACIVSA-N 349.390 1.596 0 40 EDAB COc1cc(OC)c(NC(=O)CN2NC(=O)C[C@H]2C)cc1Cl 12801821 XHAYTJAKOKIWDX-MRVPVSSYSA-N 327.768 1.421 0 40 EDAB Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)[nH]n2)cc1 46889952 AOFFFGFOIPRUAE-CQSZACIVSA-N 328.416 1.836 0 40 EDAB CCn1cnnc1CNC(=O)N1CCN(c2ccccc2O)CC1 46965359 MSQNNCYWVRYMSD-UHFFFAOYSA-N 330.392 1.035 0 40 EDAB CC(C)NC(=O)N1CCC(C(=O)NCCN2CCC[C@H](C)C2)CC1 47147453 XXTGPEOHZHTEDW-HNNXBMFYSA-N 338.496 1.665 0 40 EDAB COC(=O)CNC(=O)c1nccnc1-c1nc2ccccc2s1 12821225 SIZDJTWAOOZCCK-UHFFFAOYSA-N 328.353 1.656 0 40 EDAB C[C@H]1CC(=O)NN1CCS(=O)(=O)c1ccc(Br)cc1 12809166 IUMINHDMFYRZDV-VIFPVBQESA-N 347.234 1.348 0 40 EDAB Cc1ccnc2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)nn12 3412478 OFQLWGKWGGQSTA-UHFFFAOYSA-N 338.371 1.522 0 40 EDAB CCOC(=O)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 3493070 ZBZDCPBUKFXUDW-UHFFFAOYSA-N 341.780 1.681 0 40 EDAB COc1ccc(C(N)=O)c(OCC(=O)Nc2ccc3c(c2)OCO3)c1 12995197 FKJNXMNODZYNMI-UHFFFAOYSA-N 344.323 1.540 0 40 EDAB COCCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 12901663 KJKIYIWHCLILPF-UHFFFAOYSA-N 345.399 1.264 0 40 EDAB biogenic COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(C)cc1 3903498 QYLMZOSCRKUEBH-JTOWHCCKSA-N 334.368 1.381 0 40 EDAB COC1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)CC1 13454874 QIHHJOCNMQSWAL-UHFFFAOYSA-N 333.793 1.838 0 40 EDAB COC(=O)Cc1cc(=O)c2c(C)nn(-c3ccc(OC)cc3)c2[nH]1 13554966 NOLPKJOFCVCVEQ-UHFFFAOYSA-N 327.340 1.746 0 40 EDAB Cc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)[nH]c(=O)c1C 5155207 FEOVSQBVSJMSJO-UHFFFAOYSA-N 333.369 1.846 0 40 EDAB Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@H]1CC=CCC1 65495066 QDLQCCMHVZDNFQ-INIZCTEOSA-N 345.491 1.843 0 40 EDAB CN(CCNC(=O)c1ccc(-n2cccn2)nc1)C(=O)OC(C)(C)C 65566169 GTLDRUKLOLGEDT-UHFFFAOYSA-N 345.403 1.864 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1ccc(N2CCCC2=O)cc1 14167497 ZIUXJQFJSMVIQF-UHFFFAOYSA-N 349.394 1.829 0 40 EDAB Cc1nnc(CN2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)o1 97049036 QACFZWSRVHGULI-OAHLLOKOSA-N 349.822 1.376 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ncc(Cc2ccccc2)s1 14249233 BDYQGLHAZQTSDT-UHFFFAOYSA-N 342.380 1.223 0 40 EDAB O=C(CSc1nnnn1C[C@@H]1CCCO1)c1ccc2c(c1)OCO2 9336058 SSAQMLAINAYENT-NSHDSACASA-N 348.384 1.556 0 40 EDAB COc1ccc(OCCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 72269219 FVPDFIZWOGPCAH-ROUUACIJSA-N 348.443 1.522 0 40 EDAB Cc1ncsc1C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 63102227 HOXGAAMGNWXBSN-SNVBAGLBSA-N 336.369 1.350 0 40 EDAB Cn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccco1 5864882 PUVSJYAGFAWYDU-UHFFFAOYSA-N 340.368 1.930 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@H]2CCCN(C(C)C)C2)c(=O)[nH]1 72274188 FOQCJLLHIMEQIO-OAHLLOKOSA-N 334.464 1.911 0 40 EDAB O=C(c1ccnc(N2CCCC2)n1)N1CCC[C@@H](c2ccn[nH]2)C1 72292314 IPRBNNWWDFCJLE-CYBMUJFWSA-N 326.404 1.820 0 40 EDAB COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 7219019 CJMCIQBMQBUKDN-CQSZACIVSA-N 342.417 1.511 0 40 EDAB Cc1cccc(/C=C/C(=O)N2CCN(CCC(=O)NC3CC3)CC2)c1 72283782 UEKYPAFSYKLJBW-VMPITWQZSA-N 341.455 1.821 0 40 EDAB CN(CCC(=O)NC1CCCCC1)CC1CCN(CCO)CC1 72268116 RLOAVAMVGXFWJZ-UHFFFAOYSA-N 325.497 1.462 0 40 EDAB CC[C@H](C)[C@H](C(=O)N1CC[C@]2(C1)NC(=O)NC2=O)c1ccccc1 72290676 ZFHXJNOYDTUQIG-XAYKYTGQSA-N 329.400 1.627 0 40 EDAB O=C1CCCN1c1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1 7736524 CSBAOUHEFHUDMQ-UHFFFAOYSA-N 349.437 1.860 0 40 EDAB CCCN1CCCN(CCOc2cccc(S(C)(=O)=O)c2)CC1 72291822 BRNHKRDTHBCAGD-UHFFFAOYSA-N 340.489 1.887 0 40 EDAB CCOCCCNS(=O)(=O)c1cc(/C=C/C(=O)O)ccc1OC 8030117 LGVZVTPGYBFETC-SOFGYWHQSA-N 343.401 1.498 0 40 EDAB Cc1nnc(Sc2ccc3nnnn3n2)n1CCc1cccs1 68906186 MWMNFRJBCORYOI-UHFFFAOYSA-N 344.429 1.875 0 40 EDAB CCS(=O)(=O)c1ccc(C(=O)NCCN2CCC[C@@H](C)C2)cc1 69006804 IRKHXZIOVHOTQJ-CQSZACIVSA-N 338.473 1.942 0 40 EDAB Fc1ccc(-c2nc(CN3CCO[C@H](Cn4cncn4)C3)co2)cc1 70008553 USDMZAQCTRYKJM-INIZCTEOSA-N 343.362 1.973 0 40 EDAB C[C@H](NS(C)(=O)=O)C(=O)NCCc1nc(C(C)(C)C)cs1 71856914 AIBVDDGEEATRND-VIFPVBQESA-N 333.479 1.037 0 40 EDAB Cc1ccc(-c2nc(C(=O)NC3CCN(CC(N)=O)CC3)cs2)o1 71846595 YDCROTRLQAGBTF-UHFFFAOYSA-N 348.428 1.391 0 40 EDAB CS(=O)(=O)C1(C(=O)N2CCC[C@@H](n3cccn3)C2)CCCC1 69432918 LBMSABIMEJLCRH-CYBMUJFWSA-N 325.434 1.404 0 40 EDAB Cc1nnc2n1CCN(C(=O)C1=NN(c3ccccc3)C(=O)CC1)C2 69451527 HRUSXRGTUCFLFT-UHFFFAOYSA-N 338.371 1.112 0 40 EDAB C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)CN1CCN(C)CC1 71817354 VOGFTUYZSOAQNI-ZDUSSCGKSA-N 345.896 1.502 0 40 EDAB CCN1CCCC[C@H]1C(=O)N1CCCN(Cc2cnn(CC)c2)CC1 69597439 FTIVGPVDHWPIJB-SFHVURJKSA-N 347.507 1.812 0 40 EDAB O=C([C@H]1CSCN1C(=O)C1CCC1)N1CCN(CC(F)F)CC1 69520808 RYWPXAPJYDJBTL-GFCCVEGCSA-N 347.431 1.097 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)Nc1ccnn1C1CCCC1 71871734 MLPYESONLGGUJX-LBPRGKRZSA-N 329.408 1.133 0 40 EDAB Cc1nccn1-c1ccc(F)cc1CNC(=O)C1=NN(C)C(=O)CC1 71886021 ZBCLARNNNZONKR-UHFFFAOYSA-N 343.362 1.544 0 40 EDAB COc1ccccc1[C@@H]1CCCN1C(=O)NCCN1CCOCC1 69618861 XLFCHZZPMYFRII-INIZCTEOSA-N 333.432 1.874 0 40 EDAB CN1CCO[C@@H](CNC[C@](C)(O)c2cccc(C(F)(F)F)c2)C1 69626549 KGIOQDLYXYBXCV-GJZGRUSLSA-N 332.366 1.833 0 40 EDAB O=C1CCN(C(=O)CCc2ccccc2Br)CCN1 71839485 KVADTMXKLZRJQT-UHFFFAOYSA-N 325.206 1.730 0 40 EDAB C[C@@H](NC(=O)NCCNC(=O)CC1CCCCC1)[C@H]1CCCO1 69658815 MNKGPVFLHPJXFC-UKRRQHHQSA-N 325.453 1.940 0 40 EDAB CCCc1cc(N2CCC[C@@H](Cn3cncn3)C2)n2ncnc2n1 69630395 KWLWRNQSFGPHNM-CYBMUJFWSA-N 326.408 1.585 0 40 EDAB CCn1ccnc1CN1CCN(c2ncnc3c2cnn3C)C[C@@H]1C 69699822 HODIBHMUDOBVES-ZDUSSCGKSA-N 340.435 1.290 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C[C@@H](O)c3ccccc3)CC2)on1 69628354 QISRCDOYUWQCTO-MRXNPFEDSA-N 344.415 1.273 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2nccnc2N)C1 69621776 ZLLPJZWQRTUNHS-NSHDSACASA-N 347.806 1.730 0 40 EDAB C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](Cn2cncn2)C1 69737486 PLRBHWLKJYPYBG-CVEARBPZSA-N 339.443 1.968 0 40 EDAB O=C(CNc1ccccc1C(=O)NCCO)Nc1ccc(F)c(F)c1 69707317 HRNKJFSVWDYVAC-UHFFFAOYSA-N 349.337 1.738 0 40 EDAB CC(C)(C)OCc1cccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)c1 69872557 GWRORAJMPVNUHK-UHFFFAOYSA-N 345.399 1.168 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)OC[C@@H]1CN(CC(C)C)CCO1 69948700 OIXRNQCPZGDUIB-HOTGVXAUSA-N 340.464 1.678 0 40 EDAB Cc1ccc(-c2nc3nc(O)cc(NC(=O)[C@H]4CCCO4)n3n2)cc1 8969578 GUDMXKHMFJXLBB-GFCCVEGCSA-N 339.355 1.923 0 40 EDAB O=C(NC1CCCC1)[C@]12C[C@H]1CCN2S(=O)(=O)c1ccccc1 97125242 HYTYMDVOMHXDPS-DYVFJYSZSA-N 334.441 1.899 0 40 EDAB CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2c[nH]c3c(C)cccc23)C1 95400556 SJVPSCPVUMSMEZ-AWEZNQCLSA-N 349.456 1.559 0 40 EDAB CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C(=O)NC)N(C)C)cc1 95436826 QQBFVENDYTXQKZ-IAGOWNOFSA-N 346.475 1.772 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@H]2CCCc3cn[nH]c32)C1 95436659 KNLVHWAYEUCCCZ-GJZGRUSLSA-N 330.432 1.594 0 40 EDAB CCn1ccnc1CN1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 95963689 UHRKDLYCLVADSU-MRXNPFEDSA-N 333.480 1.420 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)c1ccn(-c3ccccc3)n1)C2 75129119 NIWZMGMDZVWLIS-UHFFFAOYSA-N 348.410 1.927 0 40 EDAB O=C1CN(C(=O)[C@H]2CCCOC2)CCN1Cc1ccc(Cl)cc1 89787698 KIIYIQRTZAOFNS-AWEZNQCLSA-N 336.819 1.937 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)C[C@@H]3OCCc4ccccc43)CCO2)n1 76045687 ZSFIKMYDHIVTRF-JKSUJKDBSA-N 342.399 1.717 0 40 EDAB CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1F 112708135 MDNRTXQEMCNLHA-SECBINFHSA-N 341.401 1.409 0 40 EDAB COC[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 25440846 SBLBDQPHRJLVHP-JTQLQIEISA-N 334.825 1.257 0 40 EDAB O=C(O)[C@@H]1COCCN1C(=O)c1ccc(N2CCCCC2=O)cc1 521362965 VNAPOZDEDMVZPX-AWEZNQCLSA-N 332.356 1.129 0 40 EDAB Cc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)n1C 79042717 BGUNWMJMEUEOKK-NSHDSACASA-N 341.458 1.378 0 40 EDAB CC(=O)N1CCO[C@H](c2cc(NCc3nonc3C)nc(C)n2)C1 72387913 BRRJKOPEHINHOE-AWEZNQCLSA-N 332.364 1.008 0 40 EDAB O=C(c1cc2ncc(CCO)cn2n1)N1CC[C@@H]1c1ccc(F)cc1 71385507 NQBPBNMCTUUDOX-MRXNPFEDSA-N 340.358 1.990 0 40 EDAB COc1cccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2COCCN2C)c1 328937400 CWZCUBCVWDXPEG-QZTJIDSGSA-N 348.443 1.533 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)NCc3cccs3)C2)nn1 225440619 ONFXMDZWLSBGMF-LLVKDONJSA-N 334.401 1.910 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2nnn(-c3ccccc3)n2)CC1 75163352 XWJSOBTVKUEWQJ-UHFFFAOYSA-N 344.375 1.013 0 40 EDAB COC(=O)c1ccc(C)c(NC(=O)CN(C2CC2)[C@@H](C)C(=O)OC)c1 69898430 NLEGPSNKAJZHKM-LBPRGKRZSA-N 348.399 1.746 0 40 EDAB CC(C)NC(=O)NCCNC(=O)c1ccc(Br)cc1 48684719 QOVZSHXNJBMRRB-UHFFFAOYSA-N 328.210 1.887 0 40 EDAB CCC[C@@H](C)NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 222622496 GKWGBZPWRHIUTL-GFCCVEGCSA-N 330.425 1.892 0 40 EDAB COc1ccc(Br)c(C(=O)N[C@@H]2C[C@@H](CO)[C@H](O)C2)c1 85468469 RTXLOMVHAQYKLY-IGJMFERPSA-N 344.205 1.319 0 40 EDAB C[C@H]1CN(Cc2cccs2)C[C@@]12COCCN(S(C)(=O)=O)C2 96202402 VZKOUCQEGOWAPG-DZGCQCFKSA-N 344.502 1.478 0 40 EDAB COC1(C)CCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1 330638514 GTTNRTDEZUNFNN-UHFFFAOYSA-N 332.466 1.220 0 40 EDAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)Cc1cccc(OC)c1)C2 96216716 ABICIGKVRZZCFB-QFBILLFUSA-N 332.444 1.664 0 40 EDAB CC1(C)C(CNC(=O)Nc2cnc(N3CCNCC3)nc2)C1(C)C 333371174 VAENFMGNDZSBJD-UHFFFAOYSA-N 332.452 1.690 0 40 EDAB CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 96308947 OBCQRTXLDDIXAC-CQSZACIVSA-N 349.362 1.232 0 40 EDAB Cc1ccc([C@H](C)N[C@@H]2CCCN(CCN3CCOCC3)C2=O)cc1 97237271 DBRRGUVVYRRGRO-PKOBYXMFSA-N 345.487 1.969 0 40 EDAB CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)C[C@@H]2N1C 96182545 NHKJZCLGRGDVLO-BMFZPTHFSA-N 326.400 1.059 0 40 EDAB CN(C)c1cccc(C(=O)N2CC[C@]3(C[C@H]3C(=O)NC3CC3)C2)c1 96227604 UQYMLKIECUGKBL-LPHOPBHVSA-N 327.428 1.883 0 40 EDAB C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 96413473 YYNMGBADDFEVEP-NSHDSACASA-N 331.351 1.603 0 40 EDAB Cn1cnc2c1[C@@H](COCC1CC1)CN(C(=O)c1ccnnc1)C2 96044921 UULGLJKLYZRZKZ-CQSZACIVSA-N 327.388 1.376 0 40 EDAB O=C(Cc1cccs1)N1C[C@H](N2CCOCC2)[C@@H]2OCCC[C@@H]21 96064539 RWASALLJJASDCO-YQQAZPJKSA-N 336.457 1.381 0 40 EDAB Cc1c(C(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)cnn1C1CCCC1 583618929 IJUODKOKMNINMG-QGZVFWFLSA-N 344.419 1.549 0 40 EDAB Cn1cc(CNCC(C)(C)N2CCOCC2)c(-c2cccnc2)n1 97159803 GSVXYOHOUMBZHA-UHFFFAOYSA-N 329.448 1.683 0 40 EDAB CO[C@H]1CCN(C(=O)N2CCCC2)[C@@H]2CN(Cc3ccncc3)C[C@H]12 96208782 IONWGHRYYKFPNW-KSZLIROESA-N 344.459 1.819 0 40 EDAB NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 95432118 IDJUCLYEQQSFEO-FZMZJTMJSA-N 338.408 1.417 0 40 EDAB CS(=O)(=O)N1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 96208314 WDFUMEAROSNBLE-CQSZACIVSA-N 340.445 1.539 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1ccccc1 96070015 DDYFDGHUJJFYPF-CVEARBPZSA-N 348.424 1.655 0 40 EDAB CN1CCN(C[C@@H]2CN(Cc3ccoc3)Cc3nccn3C2)CC1 96067017 ZIOJJTFHBWHAHQ-QGZVFWFLSA-N 329.448 1.356 0 40 EDAB c1cnc(NCc2nnn3c2CN(Cc2cccnc2)CCC3)nc1 96084700 QZHFFIKSGWDHEP-UHFFFAOYSA-N 336.403 1.481 0 40 EDAB CN1C(=O)CN(C(=O)c2cc(-n3cccn3)ccn2)c2ccccc21 96450781 QPSCSSNKWZQQLP-UHFFFAOYSA-N 333.351 1.891 0 40 EDAB CCOC(=O)[C@@H]1CSCN1C(=O)CCNC(=O)OC(C)(C)C 585079711 YLRSDBWBXCKXSV-JTQLQIEISA-N 332.422 1.366 0 40 EDAB CO[C@H](C)CS(=O)(=O)N(CC(=O)OC(C)(C)C)CC(F)(F)F 585136365 CHFSCQBETIXZDN-SECBINFHSA-N 349.371 1.557 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 247503259 GEBTXCWAZRIELC-ZFWWWQNUSA-N 326.418 1.291 0 40 EDAB CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2Cc2cncn2C)n1 257250973 JOURPLMBNMCGCM-QGZVFWFLSA-N 328.420 1.389 0 40 EDAB CN(C)c1cc([C@H]2CCCN(C(=O)c3cncnc3O)C2)ccn1 257254419 KCYRXVTYFOXBNX-ZDUSSCGKSA-N 327.388 1.663 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)NC1CCN(S(C)(=O)=O)CC1 26281110 IJXYKQVNYBGJSR-UHFFFAOYSA-N 343.424 1.391 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)n1 257213675 CIPZTXCKLNKLTP-OAHLLOKOSA-N 329.404 1.576 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)CCc3cc(OC)no3)CCO2)n1 257292725 QMRXQADLUXAOOC-AWEZNQCLSA-N 346.387 1.653 0 40 EDAB CNC(=O)c1cccc([C@@H]2CNCCN2C(=O)c2cccc(C)n2)c1 257215416 CPZVFRVBWXJMRC-KRWDZBQOSA-N 338.411 1.536 0 40 EDAB Cc1nc(C[C@@H]2CCCN(c3ccncn3)C2)cc(C(=O)N(C)C)n1 257233797 GQTOCLICAQUHSC-AWEZNQCLSA-N 340.431 1.736 0 40 EDAB CC(=O)N1CCC(c2nccnc2CNC(=O)c2cccn2C)CC1 257265892 MATLUYBMPDXSPA-UHFFFAOYSA-N 341.415 1.471 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)NCCNC(C)=O)cc1OC 43140471 NECHLJGEXNEIMD-AWEZNQCLSA-N 335.404 1.686 0 40 EDAB CO[C@@H](CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1)c1ccc(F)cc1 252486031 HHGRZGPVKMRXMS-KGLIPLIRSA-N 344.408 1.342 0 40 EDAB CN(CCC(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1)Cc1cccnc1 257287823 PRQXKOLGVZBNPC-WMZOPIPTSA-N 333.432 1.046 0 40 EDAB Cc1ncsc1C(=O)N(C)C[C@]1(O)CCCN(c2cnccn2)C1 257343876 ZUSXTUIOEUVVMO-MRXNPFEDSA-N 347.444 1.345 0 40 EDAB CN(C)c1cncc([C@@H]2CCCN2C(=O)CCCn2ccnc2)n1 257220250 DKENVIOFWWQQTQ-HNNXBMFYSA-N 328.420 1.883 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)[C@H]3CCCCO3)CC2)cn1 257314350 UWOVNVSJDITBER-GOSISDBHSA-N 346.475 1.888 0 40 EDAB COc1cc(CCC(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)on1 257289383 PYJPHRKAEJOZCM-KBPBESRZSA-N 334.376 1.037 0 40 EDAB CN(C(=O)C1CCC(C(=O)O)CC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 262703187 IRSHGIVGLDEEHC-PQAZSJQKSA-N 345.461 1.692 0 40 EDAB O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H](O)C1CCOCC1 531300395 RMVHDCIKPVWOCJ-ZWKOTPCHSA-N 332.444 1.555 0 40 EDAB CS(=O)(=O)CCNC(=O)NCc1ccc(-c2ccco2)cc1F 279898124 GZJUXAUSMKPJJS-UHFFFAOYSA-N 340.376 1.930 0 40 EDAB O=C(NCCF)Nc1cnc(N2CCOCC2)c(Br)c1 281611815 CLEAPBDAYBVQFX-UHFFFAOYSA-N 347.188 1.772 0 40 EDAB Cc1ccccc1-n1nc(C)c(CNC(=O)[C@H]2CCCNC2=O)c1C 1614994322 FWTYUQAUCFXBAX-HNNXBMFYSA-N 340.427 1.940 0 40 EDAB O=C(NC[C@@H](O)CN1CCCC1=O)c1ccc(Cl)c2occc12 1615044402 AJIPDLPCBCCJEB-SNVBAGLBSA-N 336.775 1.799 0 40 EDAB O=C(c1cnns1)N1C[C@H]2CC[C@]2(Nc2cncc(Cl)n2)C1 1615055574 CUBMDBUQQGFDFK-OQPBUACISA-N 336.808 1.698 0 40 EDAB CCOc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCN3CCOC[C@H]13)CCO2 1615549307 MVSDAGYMGHANAB-USXIJHARSA-N 346.427 1.746 0 40 EDAB CC(C)N1C[C@H](NC(=O)c2cncc(-c3cnn(C)c3)c2)CC1=O 606362578 PUXPEGSRNCBUQX-OAHLLOKOSA-N 327.388 1.221 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](Oc2ncccn2)C1 575610341 KJGOEXDQOGIEIK-CYBMUJFWSA-N 349.412 1.636 0 40 EDAB O=C(NCCOc1ccccc1)NCCn1nc2c(cc1=O)CCC2 575607827 KFPFLASVIDHTMO-UHFFFAOYSA-N 342.399 1.110 0 40 EDAB Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)N(C)C)C2)c1 575404445 CLLLBSRXYCMXFP-INIZCTEOSA-N 326.400 1.867 0 40 EDAB CN(C)c1nc(CNC(=O)c2cncc(F)c2)nc(N2CCCC2)n1 575607610 VCNQXGQYZMVLIG-UHFFFAOYSA-N 345.382 1.002 0 40 EDAB CC(C)CN(C(=O)C1CCC(F)(F)CC1)[C@@H]1COC[C@@H](O)[C@H]1O 585287214 UVAULFSJDOZXGA-MCIONIFRSA-N 335.391 1.417 0 40 EDAB Cc1nonc1CC(=O)N1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 585279135 VGJVNVWAWKMNTP-CZUORRHYSA-N 333.363 1.512 0 40 EDAB O=C(COc1ccccc1Cl)NCCn1nc(C2CC2)ccc1=O 585150008 XVQLKZNWANRQDC-UHFFFAOYSA-N 347.802 1.969 0 40 EDAB CCOC(=O)c1cnc(N2CCOC[C@H]2c2ccnn2C)nc1C 585140852 KBZFOKRCHFZNPY-AWEZNQCLSA-N 331.376 1.273 0 40 EDAB CN1C[C@H](COCc2ccccn2)CC12CN(Cc1cn[nH]c1)C2 585093857 KCYUKIRVGDHIQI-OAHLLOKOSA-N 327.432 1.528 0 40 EDAB Cc1cnc(CCNC(=O)N2CC[C@H](C(F)(F)F)[C@H](CN)C2)nc1 952965093 YYLIFJPZROTGQW-NEPJUHHUSA-N 345.369 1.496 0 40 EDAB COc1nccnc1N(C)CC1CCN(c2ncncc2F)CC1 1776009804 RPEOJKRXOIRHQX-UHFFFAOYSA-N 332.383 1.767 0 40 EDAB CN1C[C@H](CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)CC1=O 1776008417 DKHXYSTXIOKBTG-SNVBAGLBSA-N 329.322 1.642 0 40 EDAB Cc1ccc(OCC(=O)NC2CCCC2)c(S(=O)(=O)N(C)C)c1 58311701 MYQQVCIYCLRKTM-UHFFFAOYSA-N 340.445 1.683 0 40 EDAB Cc1cccc(S(=O)(=O)NCC(=O)NCCc2ccccc2)c1 58357290 BIYMVIJQONFQDL-UHFFFAOYSA-N 332.425 1.632 0 40 EDAB CC(=O)N1CCC(C(=O)NCc2nc(-c3cccs3)no2)CC1 58407216 YFPKZLTTZVIXDW-UHFFFAOYSA-N 334.401 1.673 0 40 EDAB Cn1nc2c(cc1=O)CN(Cc1nccn1CC(F)(F)F)CC2 76064772 HNMKMNLDZGOFNR-UHFFFAOYSA-N 327.310 1.097 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cccc(-n3cccn3)c2)C1 97051626 KDJDGVORIDUZLB-INIZCTEOSA-N 334.445 1.386 0 40 EDAB CCOCC(=O)N1CC[C@H](Oc2ncccc2Br)C1 238941574 WAMUTGHMLAXKDK-JTQLQIEISA-N 329.194 1.860 0 40 EDAB COc1ccc(NC(=O)C[C@H](C(=O)O)N2CCCCC2)c(OC)c1 5258331 DRHDZPJXDCWCQY-CQSZACIVSA-N 336.388 1.972 0 40 EDAB CCS(=O)(=O)N1CCc2cc(C(=O)NC[C@H]3CCCO3)ccc21 13610135 RQNBBUMNZZJSOD-CQSZACIVSA-N 338.429 1.308 0 40 EDAB Cc1ccccc1CNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 13688751 XIOUJLRERXMGQB-IYBDPMFKSA-N 326.396 1.953 0 40 EDAB COC(=O)c1cccc(NC(=O)CSc2nc(O)nnc2C)c1 15859733 GEWVQYOIOOHBFV-UHFFFAOYSA-N 334.357 1.403 0 40 EDAB O=C(C1CCCC1)N1CCO[C@@H](c2nc(-c3ncccn3)no2)C1 19403990 JJNMDXJFCKPEGJ-GFCCVEGCSA-N 329.360 1.617 0 40 EDAB CCOc1ccc(-n2nnc(C(=O)NCc3noc(C)n3)c2C)cc1 19533645 DPOLOYGLHYDDHP-UHFFFAOYSA-N 342.359 1.596 0 40 EDAB COCCC(=O)NCc1ccc(-c2ncncc2C(=O)N(C)C)cc1 19581449 FGKBDPPPRINOJS-UHFFFAOYSA-N 342.399 1.498 0 40 EDAB CCOC(=O)C1=CN/C(=C(/C)C(=O)OC)S[C@@H]1C(=O)OCC 1651663 CDSGPNSMBUWSBF-NGPGYTDTSA-N 329.374 1.106 0 40 EDAB O=C(NCCN(CCO)C(=O)c1cccc(F)c1)c1cccc(F)c1 6926049 ZCRNBNDIBCZNNB-UHFFFAOYSA-N 348.349 1.829 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1nccn1C 585113906 WJQOKNUFUGMBKJ-GOEBONIOSA-N 327.432 1.905 0 40 EDAB O=C(c1cc2cc(F)ccc2[nH]1)N1CC[C@@](O)(CN2CCOCC2)C1 1848352451 IMKHNXAPMMBWAK-GOSISDBHSA-N 347.390 1.216 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 5701486 MLJOSVJLPDIQSN-DOMZBBRYSA-N 339.413 1.407 0 40 EDAB CC(C)NC(=O)c1cn(C[C@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1888854579 CVMYZVWAYCZSGZ-HNNXBMFYSA-N 341.415 1.465 0 40 EDAB CCc1cnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)nc1 1888854706 SZMJHDYTGBWVKW-UHFFFAOYSA-N 339.447 1.756 0 40 EDAB CCc1nc(N2C[C@H]3CN(C(=O)c4ccno4)C[C@@H]3C2)nc(O)c1F 1888866229 BUOVGIXYSXLMKP-NXEZZACHSA-N 347.350 1.080 0 40 EDAB Cc1ccc(NC(=O)CCNC(=O)[C@@H]2C[C@H]2C)cc1-n1cnnn1 25148013 UTELGYJGMSWAMU-DGCLKSJQSA-N 328.376 1.072 0 40 EDAB O=C(NC[C@@H](O)c1ccccn1)c1ccnc(OC2CCOCC2)c1 240122628 WECPDATYTXUVAG-MRXNPFEDSA-N 343.383 1.498 0 40 EDAB Cn1cccc(C(=O)NC[C@H](c2ccoc2)N2CCSCC2)c1=O 245053611 PCUWYBWBPDRBEA-OAHLLOKOSA-N 347.440 1.498 0 40 EDAB Cc1ncc(C(=O)N2CC[C@H]3C[C@@]32C(=O)N2CCC(C)CC2)c(C)n1 2056225234 KPGDBHRWCXZXQY-KXBFYZLASA-N 342.443 1.957 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)c3ccc4c(ccn4C)c3)CC[C@H]2C1 1565553323 UJWXZWAGOJGMFL-FUHWJXTLSA-N 327.428 1.971 0 40 EDAB O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCc1cccnc1 13808006 JFLSBNNYJYELQL-UHFFFAOYSA-N 338.342 1.761 0 40 EDAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 16847982 FAGCOHQDYQBTNR-CYBMUJFWSA-N 340.401 1.226 0 40 EDAB O=C(C1CCC1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055773028 MLVGYZCIHCLYQW-UHFFFAOYSA-N 330.432 1.527 0 40 EDAB O=C(NCc1ccc(C(=O)c2ccccc2)s1)C(=O)NC1CC1 206681965 BTJQCZPRLYIODD-UHFFFAOYSA-N 328.393 1.874 0 40 EDAB O=C(Cc1cccs1)N1CC(c2nc(-c3cnccn3)no2)C1 49485298 RYTNQAHHADWBFG-UHFFFAOYSA-N 327.369 1.757 0 40 EDAB O=S(=O)(N1CCCC1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575607077 ACRBTIRVKQLVIB-GFCCVEGCSA-N 346.840 1.314 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](n3cnc4ccccc4c3=O)C2)n[nH]1 575617856 RURDJEPLHXBYHM-CYBMUJFWSA-N 337.383 1.905 0 40 EDAB O=C1NC2(CCOCC2)C(=O)N1Cc1cn(CC2CCCCC2)nn1 2298041248 HVVNWYRYCHKNHP-UHFFFAOYSA-N 347.419 1.459 0 40 EDAB CCN(CC)CCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 50081315 DVFHZMPOSHIIQL-KRWDZBQOSA-N 331.460 1.536 0 40 EDAB Cc1ccc(OC[C@@H](O)Cn2c(C)cc(=O)n3ncnc23)c(C)c1 40498035 LRABZYWNYKGMEU-AWEZNQCLSA-N 328.372 1.256 0 40 EDAB O=C(N[C@H]1CCCCNC1=O)c1cnn(Cc2ccccc2Cl)c1 40521710 XRLNBBVBJHHUBE-HNNXBMFYSA-N 346.818 1.983 0 40 EDAB CN(CCOc1ccccc1Cl)S(=O)(=O)c1cnn(C)c1 40528033 TWFRXEJKLNJQIA-UHFFFAOYSA-N 329.809 1.773 0 40 EDAB CCCNC(=O)CN1CCC(NC(=O)CCc2cccs2)CC1 31933030 HQGCNBAFJJRQPP-UHFFFAOYSA-N 337.489 1.788 0 40 EDAB O=C(NCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H]1C[C@H]2CC[C@H]1C2 101572298 NBBYZTYTYPOTAO-LNTSPLOQSA-N 342.439 1.736 0 40 EDAB COC(=O)c1ccc(F)c(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c1 32903238 ZLHFGPZMPRBOAO-UHFFFAOYSA-N 347.346 1.884 0 40 EDAB C[C@@H](Cc1ccccc1F)NC(=O)CS[C@H]1CCS(=O)(=O)C1 53190532 HYRASDIUDRIIHJ-AAEUAGOBSA-N 345.461 1.793 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccccc1C 33019840 FMELWVOXHCNBGQ-UHFFFAOYSA-N 348.424 1.923 0 40 EDAB Cc1csc(N2CCN(C(=O)c3cc(C(N)=O)cs3)CC2)n1 53484589 SNMDYMQPCHLMAZ-UHFFFAOYSA-N 336.442 1.574 0 40 EDAB O=C(CN1CCC(O)CC1)N[C@H](c1ccccc1)c1nccs1 104095954 DIROIZOOYMYWRT-MRXNPFEDSA-N 331.441 1.805 0 40 EDAB O=c1ccccn1CCN1CCN(CCOc2ccccc2F)CC1 95360763 YBDPGONRJOTAMA-UHFFFAOYSA-N 345.418 1.684 0 40 EDAB CCCc1nc([C@@H]2CN(Cc3cn4ccccc4n3)CCO2)n[nH]1 78893192 MZNYHQYHPPCWIQ-AWEZNQCLSA-N 326.404 1.978 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cnn(-c2ccccc2F)c1 79071220 LJXHHJCYOHUYEQ-NSHDSACASA-N 337.376 1.775 0 40 EDAB CCOC(=O)C1(C(=O)OCC)[C@H](C)CC(=O)N1c1ccccc1OC 2034924 VZVYNKHRLJUOOV-GFCCVEGCSA-N 349.383 1.933 0 40 EDAB C[C@@]1(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)CCS(=O)(=O)C1 23743535 XHFBHJQQBKOPKL-STMXVASLSA-N 349.861 1.807 0 40 EDAB Cc1cnc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cn1 3513285 BIJNMUSGNAYOTK-NSHDSACASA-N 343.339 1.740 0 40 EDAB CN(C)C(=O)Cc1ccccc1NC(=O)NCCCn1ccnc1 55084405 HXRZUNKUUFBGGB-UHFFFAOYSA-N 329.404 1.726 0 40 EDAB C[C@@H]1CN(CCNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C[C@@H](C)O1 106039705 CHMOIATVYDSBOU-JMSVASOKSA-N 349.406 1.477 0 40 EDAB COc1cc(OC)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1OC 7117998 JOAZNDHZOOUAED-UHFFFAOYSA-N 346.383 1.948 0 40 EDAB C[C@@H](OC(=O)c1ccc(F)cc1N)C(=O)Nc1ncnc2nc[nH]c12 24877719 VHIWTUHPMKBNCH-SSDOTTSWSA-N 344.306 1.258 0 40 EDAB C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C[C@@H](c2ccccc2)O1 106830935 AQWNOZUABOWUTI-KMFMINBZSA-N 328.412 1.986 0 40 EDAB CS(=O)(=O)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)CC1 108535484 GTQPXVRLTOVRQO-MRXNPFEDSA-N 337.445 1.246 0 40 EDAB CC[C@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@@H]1N1CCOCC1 84736011 BEBDSKBOXZVUDL-AAEUAGOBSA-N 337.445 1.030 0 40 EDAB Cc1cc(=O)n(CC(=O)NC[C@@H]2CCCO2)c(-c2ccc(F)cc2)n1 57522236 GTHAEXSARQEMRQ-HNNXBMFYSA-N 345.374 1.653 0 40 EDAB O=C(COc1ccc(F)cc1Cl)NC[C@@H]1CCS(=O)(=O)C1 44720300 ZROIUCHAYKMENE-VIFPVBQESA-N 335.784 1.409 0 40 EDAB CCN1CCC[C@H](CNC(=O)Cn2c(=O)n(C)c3ccccc32)C1 58135701 QVCGSGXNINQWOH-CQSZACIVSA-N 330.432 1.188 0 40 EDAB Cc1ccccc1[C@H](C)NC(=O)CCn1cnc2c(cnn2C)c1=O 44894472 VEKTYZDVRYJFMI-ZDUSSCGKSA-N 339.399 1.706 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CN1CCCC1=O)c1cccc(F)c1 44890267 ARYNWBZIZSAQPI-INIZCTEOSA-N 330.363 1.387 0 40 EDAB CN(C)C(=O)CN1CCN(c2ccnc3c(F)ccc(F)c23)CC1 58264658 BHZIMLFQXOWSDY-UHFFFAOYSA-N 334.370 1.723 0 40 EDAB C[C@@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1nnc2ccccn12 58357154 QGPFTCTZODAYLO-GFCCVEGCSA-N 333.355 1.801 0 40 EDAB COc1ccc(OC)c(C(=O)Nc2cccnc2-n2cncn2)c1 58332040 GSXWMZWKYDDCPX-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB O=S1(=O)CCC(S(=O)(=O)Oc2ccc3c(c2)CCC3)CC1 58343408 XOHKYPCIPVLKKA-UHFFFAOYSA-N 330.427 1.461 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(Cl)cc(Cl)c1 3315758 UMTWSIONQMCFJI-NSHDSACASA-N 345.182 1.497 0 40 EDAB CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 89869439 JCQDUNMZOBYORL-ZWKOTPCHSA-N 331.460 1.438 0 40 EDAB CC(C)Cc1ccc(C(=O)CCC(=O)N2C[C@@H](O)C[C@H]2C(N)=O)cc1 89856507 AFMMJOBGZDMGAT-HOTGVXAUSA-N 346.427 1.295 0 40 EDAB Cc1c(C)n(C[C@H](O)CN2CCN(CCO)CC2)c2ccc(F)cc12 28297176 PUASDONFHRADII-QGZVFWFLSA-N 349.450 1.368 0 40 EDAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2C(N)=O)c1 10314316 PKMMVSOBQWBXSK-UHFFFAOYSA-N 333.369 1.409 0 40 EDAB O=S1(=O)CC[C@H](N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)C1 45811104 ULLWLNBGKMGOMR-LBPRGKRZSA-N 349.861 1.680 0 40 EDAB O=S(=O)(Nc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1 11857013 QESSDECVZBYMMU-UHFFFAOYSA-N 337.376 1.858 0 40 EDAB CCc1noc(CN(C)C(=O)c2cc(OC)c(OC)cc2OC)n1 60381114 WMZIPBRBIWZSRC-UHFFFAOYSA-N 335.360 1.930 0 40 EDAB CCCCN(C(=O)NCc1cccnc1)[C@H]1CCS(=O)(=O)C1 89954697 KYXBIYRBQKRIJY-AWEZNQCLSA-N 325.434 1.580 0 40 EDAB Cn1cc(NC(=O)N2CCN(c3ncnc4ccsc34)CC2)cn1 76068806 POMOLBNQJCXCQZ-UHFFFAOYSA-N 343.416 1.779 0 40 EDAB Cc1nn(C)cc1/C=C1/N=C(SCC(N)=O)N(CC(C)C)C1=O 2785657 YOUZSMOMAFGZGL-LFYBBSHMSA-N 335.433 1.142 0 40 EDAB Cn1nc2c(cc1=O)CN(CCCOc1ccc3c(c1)OCO3)CC2 76064914 BTCMAQYJMMDALD-UHFFFAOYSA-N 343.383 1.336 0 40 EDAB C[C@@]1([C@H]2CCCN(CCCOc3ccc(F)cc3)C2)NC(=O)NC1=O 76059210 JLURQPHLYVBSLA-UGSOOPFHSA-N 349.406 1.905 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12983211 KBHLMDYNJMQZSZ-UHFFFAOYSA-N 347.680 1.848 0 40 EDAB NC(=O)CC1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)CC1 49392693 GBBIORHRADSURY-VOTSOKGWSA-N 338.411 2.000 0 40 EDAB NC(=O)COc1cccc(CN2CCN(c3nccs3)CC2)c1 63993695 GHGRWYHCYXVFNW-UHFFFAOYSA-N 332.429 1.329 0 40 EDAB Cc1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 9364147 FNASQAZAKVAJAC-ZDUSSCGKSA-N 349.412 1.099 0 40 EDAB Cc1nnc(SCC(=O)NC[C@H]2COc3ccccc3O2)s1 5216679 BBVJUUDNNIOEDJ-JTQLQIEISA-N 337.426 1.895 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)C[C@H]1CCCO1 65405156 QQBISOPPBJBVCG-WCQYABFASA-N 345.848 1.939 0 40 EDAB CS(=O)(=O)NCCCNC(=O)N1CCC[C@@H]1Cc1ccccc1 65402412 UCYKLKKBYPEXRX-OAHLLOKOSA-N 339.461 1.342 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cnn(C)c2)c1C 14076603 PSXIJXSJLNMFEK-UHFFFAOYSA-N 333.344 1.581 0 40 EDAB CCCNC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9377777 LXAPQNJKJDZWQH-UHFFFAOYSA-N 343.412 1.727 0 40 EDAB COCCN(C(=O)c1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 65621656 ILWBPJYNEDDTQY-HNNXBMFYSA-N 325.430 1.579 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C)C(N)=O 6664128 HKCORYUHMSHZMT-SKDRFNHKSA-N 326.780 1.511 0 40 EDAB CC(C)(C)c1ccc(=O)n(CC(=O)NC(=O)NCc2cccs2)n1 66263939 TYVQNKKFDTXXIL-UHFFFAOYSA-N 348.428 1.628 0 40 EDAB CCn1c(=O)[nH]c2cc(C(=O)Nc3cnn(C(C)C)c3)ccc2c1=O 66387200 WYRLAUHOFIIAEP-UHFFFAOYSA-N 341.371 1.739 0 40 EDAB CN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)Cc1ccc(F)cc1F 24959267 UZIBTNGBSLDGOD-OAHLLOKOSA-N 346.399 1.090 0 40 EDAB COC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 408603844 GFZBEUWVNIGPJN-NSHDSACASA-N 348.852 1.566 0 40 EDAB Cc1cscc1C(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 96466427 DRXSFKITDZECPC-CYBMUJFWSA-N 344.502 1.638 0 40 EDAB CN1CCO[C@H](CN(C(=O)COC2CCCC2)c2nccs2)C1 95402107 IRLKQVLGKHZGHV-AWEZNQCLSA-N 339.461 1.766 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)[C@@H]1C 71834763 UQAJTAPPTYGPPA-KJWYOANISA-N 343.471 1.840 0 40 EDAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)N1Cc2ccccc2C1 71879678 JEWFKBXTUCUJKW-MSOLQXFVSA-N 345.443 1.449 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)cc1 69242872 WNFRGFCMZNKKGY-AWEZNQCLSA-N 339.413 1.663 0 40 EDAB COC(=O)c1ccccc1NC(=O)COc1nnc2ccccn12 8224888 MOFMIWOWDAHNIQ-UHFFFAOYSA-N 326.312 1.533 0 40 EDAB CC[C@@H]1CCCCN1C(=O)CN(C)CC1CCN(CCO)CC1 70021951 FGDQZEIQIODHSG-QGZVFWFLSA-N 325.497 1.414 0 40 EDAB CN(C)CCN1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 19947139 PONKXHUUDQSLHB-UHFFFAOYSA-N 334.508 1.844 0 40 EDAB Cc1noc([C@H](C)N2CCN([C@H](C)C(=O)Nc3cc(C)on3)CC2)n1 69376642 WMYSVTJLWXQROU-NEPJUHHUSA-N 348.407 1.380 0 40 EDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(CCn2ccccc2=O)CC1 69386528 SADITLYFWOAONF-AWEZNQCLSA-N 343.431 1.488 0 40 EDAB O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1=CCCCO1 95445950 VGIDNAMMBNWCFO-IAGOWNOFSA-N 330.428 1.680 0 40 EDAB Cc1ccc(OCCNC(=O)Cc2c(C)nc3ncnn3c2C)cc1 8301174 VIIAGZGHIWBBOY-UHFFFAOYSA-N 339.399 1.787 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC(=O)Nc3nccs3)CC2)n1 69413694 HPIGHIBECQTIIH-JTQLQIEISA-N 336.421 1.152 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3nnc(-c4ccco4)o3)CCO2)c1 69445566 HQIMIKGXDCTEGB-CYBMUJFWSA-N 329.360 1.736 0 40 EDAB CC(=O)Nc1nc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)cs1 69445559 XIVPXHXVXMWMER-CQSZACIVSA-N 335.433 1.507 0 40 EDAB O=C1CC[C@H](NS(=O)(=O)c2ccccc2-c2ccccc2)CN1 71909480 UWAXVFYIXYSZBQ-AWEZNQCLSA-N 330.409 1.911 0 40 EDAB Cc1noc(C)c1CC(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C 69533231 FCGHVFFSWJVYBW-GFCCVEGCSA-N 325.434 1.650 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)cc1 69536739 ACTMDPSLAQPTIU-UHFFFAOYSA-N 340.379 1.999 0 40 EDAB COCCN1CCN(C(=O)c2c[nH]nc2-c2ccccc2F)CC1=O 91988727 NKTXSCDGZMNXRG-UHFFFAOYSA-N 346.362 1.147 0 40 EDAB CCN1CCN([C@@H](C)CNC(=O)c2cc(O)nc3ccccc23)CC1 69704663 XHTSUCDAEICAEQ-AWEZNQCLSA-N 342.443 1.696 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccnc2)CC1 69771496 HHIFSHCZPPMMOG-IXDOHACOSA-N 331.460 1.736 0 40 EDAB Cc1ccc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c(Br)c1 92007454 SBLHIGFTKAJKJD-ZWNOBZJWSA-N 327.222 1.832 0 40 EDAB O=C(O)[C@@H]1CC(=O)N(CCCN2CCOCC2)[C@@H]1c1ccsc1 69819629 HTQUCFZYOGSTTI-UKRRQHHQSA-N 338.429 1.445 0 40 EDAB O=C(NCC1(O)CCOCC1)Nc1nnc(-c2ccccc2)s1 69849585 ARLAOWOCWLIKSR-UHFFFAOYSA-N 334.401 1.868 0 40 EDAB C[C@H](O)CN1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 69980823 RNDYVJPLGBHVRA-LBPRGKRZSA-N 346.349 1.653 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 18700366 TWWLFDQOWNPEPI-SECBINFHSA-N 348.371 1.327 0 40 EDAB O=C1NCCN(C(=O)c2cc3ccccc3c(=O)[nH]2)[C@@H]1c1ccccc1 89827813 AGPGSESHQJMUCQ-QGZVFWFLSA-N 347.374 1.841 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)s1 72234995 CTKOAYZWSWZQPV-GFCCVEGCSA-N 333.417 1.453 0 40 EDAB Cc1nc(N2CCN(c3cnn(C)c(=O)c3Cl)CC2)sc1C 95973748 LAXPXQQDFAHHFD-UHFFFAOYSA-N 339.852 1.834 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)c1cncc(-c2cnn(C)c2)c1 95953769 VJRVHECPPLHCAA-UHFFFAOYSA-N 337.387 1.292 0 40 EDAB O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCC[C@@H]1CO 95987623 WPKHODSPSHFHCP-KCPJHIHWSA-N 326.343 1.961 0 40 EDAB COC(=O)[C@H](C)[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1ccccc1 89143319 PAUBCZAALFZTGZ-SJKOYZFVSA-N 340.383 1.663 0 40 EDAB CCN1C[C@H](C)[C@H](NS(=O)(=O)c2cc(OC)c(OC)cc2C)C1 76058442 FRTNQKAEKHZSKG-QWHCGFSZSA-N 342.461 1.631 0 40 EDAB CN1CC[C@H]2CN(CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@H]2C1 1550540029 UHNJFZJAWUQYQD-LSDHHAIUSA-N 345.443 1.670 0 40 EDAB Cc1nonc1NC(=O)CN1CCC([C@@H]2CCCCN(C)C2=O)CC1 72372001 GVPBCWGHMYOFKZ-AWEZNQCLSA-N 349.435 1.287 0 40 EDAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(N)(=O)=O 29647317 XLTXZBLMAAHAFV-UHFFFAOYSA-N 348.380 1.798 0 40 EDAB CC(C)COC[C@@H](C)NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 69935260 CNDNALRTYHGALG-SJORKVTESA-N 341.496 1.801 0 40 EDAB COC(=O)C1(CNC(=O)[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)CC1 521396254 CWSCYVBJKXHGQF-QJPTWQEYSA-N 338.404 1.311 0 40 EDAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C)C[C@H]2C3)cc1 306126670 FBPAMOQHBYFQJM-VXGBXAGGSA-N 327.388 1.273 0 40 EDAB O=C(CSCCOc1cccc(F)c1)N[C@H]1CCS(=O)(=O)C1 69843039 FWIFITOTYAUQMI-LBPRGKRZSA-N 347.433 1.241 0 40 EDAB CNC(=O)NC(=O)CSc1cc(-c2ccccc2)nc2ncnn12 36646253 YPVJOMRQVMHESI-UHFFFAOYSA-N 342.384 1.339 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc12 32269266 ZVBSFUXTKKAXCA-OAHLLOKOSA-N 345.447 1.363 0 40 EDAB O=C(Nc1ccc[nH]c1=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 78718505 KXQYEMNGGAIFHQ-CQSZACIVSA-N 325.368 1.866 0 40 EDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C1=NO[C@H](c2ccccc2)C1 71903683 NVFMPPTTYNIDDY-DOMZBBRYSA-N 338.429 1.786 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NC[C@@H](O)Cc1ccccc1 70639326 PVQXSTHFZAJWJJ-AWEZNQCLSA-N 339.388 1.716 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)c1ccc2nnc(C(F)(F)F)n2n1 79031353 RGCSAMUYXKAZDQ-ZETCQYMHSA-N 337.327 1.012 0 40 EDAB C[C@@](O)(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccco1 75170623 ZTVZHFGFBMKLLP-CQSZACIVSA-N 331.340 1.885 0 40 EDAB O=C(c1cnn[nH]1)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 567987470 DACRCULAVCOHDF-MRVPVSSYSA-N 330.270 1.660 0 40 EDAB CCN(CC)[C@H](CNc1ncccc1S(N)(=O)=O)c1ccco1 79037673 OGKJZCZNNQRKHV-GFCCVEGCSA-N 338.433 1.817 0 40 EDAB COc1ccc(CCNC(=O)NCCc2nnc3ccccn23)cc1 47606448 GNPXZYPJTFVEJT-UHFFFAOYSA-N 339.399 1.822 0 40 EDAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NCCCn1ccnc1 49548790 DRHYBVWAAJCWTD-UHFFFAOYSA-N 346.435 1.497 0 40 EDAB CC(C)n1cnnc1C1CCN(C(=O)COCc2ccnn2C)CC1 328832224 VJAJNLNJOCWJTM-UHFFFAOYSA-N 346.435 1.515 0 40 EDAB COC(=O)c1ccc(NC(=O)NCCc2nnc3ccccn23)cc1 48007273 ADDZJIZKSLRAJK-UHFFFAOYSA-N 339.355 1.880 0 40 EDAB CCCSc1ncc(Br)c(C(=O)NCC(=O)OC)n1 41157643 WUOBZXJBRKWGHW-UHFFFAOYSA-N 348.222 1.644 0 40 EDAB Cn1cccc1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95476163 XMRUQRQKOKBXSN-GFCCVEGCSA-N 337.383 1.571 0 40 EDAB CC(=O)c1ccc(NC(=O)CCNC(=O)c2cc(C)nn2C)cc1 96192438 DIYASRGJSLAPEP-UHFFFAOYSA-N 328.372 1.690 0 40 EDAB COC[C@H]1C(=O)NCC12CCN(C(=O)c1ccc3c(c1)OCO3)CC2 96206564 CXMIIICPDFLOAL-ZDUSSCGKSA-N 346.383 1.030 0 40 EDAB CC(C)(C)c1nc(CN2CCCN(C(=O)c3ccon3)CC2)no1 96449575 ZQRYDVHFWILNOC-UHFFFAOYSA-N 333.392 1.703 0 40 EDAB O=C(c1c[nH]cn1)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 96239693 QTHLBOXZUXYLPL-OAHLLOKOSA-N 348.357 1.578 0 40 EDAB CCOC[C@H]1c2c(cnn2C)CCN1S(=O)(=O)c1ccccc1 96068183 YFEYFVGHZDSYPT-HNNXBMFYSA-N 335.429 1.745 0 40 EDAB O=C(c1cc[nH]n1)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 96078107 DMYJUIOMNFPRPW-OAHLLOKOSA-N 348.357 1.578 0 40 EDAB O=C(c1cnccn1)N1CC[C@@]2(C[C@@H](OCc3cccnc3)CO2)C1 96072398 CPSHPORSQIMZMJ-CRAIPNDOSA-N 340.383 1.462 0 40 EDAB Cn1cc(CN2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)cn1 96109070 LKUCRJKGXLYXAJ-PBHICJAKSA-N 332.379 1.482 0 40 EDAB CN(Cc1ccccn1)[C@H]1CO[C@]2(CCN(c3nncs3)C2)C1 96072884 FLGFDEUPSZUOFA-GDBMZVCRSA-N 331.445 1.803 0 40 EDAB c1cnc(N2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)nc1 96249711 CNTJAKSRKCRLKX-IAGOWNOFSA-N 325.416 1.599 0 40 EDAB COCCO[C@H]1CCN(C(=O)c2cccnc2)[C@H]1Cc1cnn(C)c1 96200655 VEVWKSBKPGDZAG-IRXDYDNUSA-N 344.415 1.304 0 40 EDAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NCc4ccco4)O[C@H]3C2)nn1 96043255 YBXWXTIPDRFMKA-IMJJTQAJSA-N 342.399 1.678 0 40 EDAB CO[C@@H]1CCN(C(=O)c2cnccn2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 96108606 MYXBYNQIWMGCIG-USXIJHARSA-N 342.399 1.431 0 40 EDAB O=C(C1CC=CC1)N1CCCn2nnc(CNc3ncccn3)c2C1 96084704 BHIKEIPZORLTGD-UHFFFAOYSA-N 339.403 1.379 0 40 EDAB Cc1cc(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)no1 238818890 CDICFWMZAMHMID-UHFFFAOYSA-N 328.303 1.329 0 40 EDAB CC1CCN(C[C@H](O)COc2ccc(Cl)cc2C(N)=O)CC1 95439042 YDMOHQXIBMZCJP-ZDUSSCGKSA-N 326.824 1.911 0 40 EDAB COc1cc(N2CC3(C2)OCC[C@H]3COCc2ccncc2)ncn1 247871482 DOANQCAZNHKOBD-HNNXBMFYSA-N 342.399 1.692 0 40 EDAB C[C@H]1CN(C(=O)c2coc(Sc3ncccn3)n2)[C@@H](C)CN1C 585135584 RISXQXSDVCRQMQ-QWRGUYRKSA-N 333.417 1.780 0 40 EDAB CN1C(=O)CCC[C@H]2CN(S(=O)(=O)c3cccc(F)c3)CC[C@H]21 257201331 AHFILLCUJMRVGE-SWLSCSKDSA-N 340.420 1.847 0 40 EDAB Cc1cnc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)cn1 257286248 PKWWSRSPACAWIC-QGZVFWFLSA-N 345.378 1.080 0 40 EDAB CNc1cncc([C@H]2CCCN2C(=O)c2ccnc(NC(C)=O)c2)n1 257304919 SNQUIQNQFDDXGO-CQSZACIVSA-N 340.387 1.849 0 40 EDAB COc1ccc(OC)c2c1CN(CC(=O)NCc1ccco1)C[C@@H]2O 26155331 PLIYSHZAFZSMNT-AWEZNQCLSA-N 346.383 1.462 0 40 EDAB Cc1ccsc1C(=O)NC[C@]1(O)CCCN(c2cnccn2)C1 257320784 VYQBQEZVYRTVDD-MRXNPFEDSA-N 332.429 1.608 0 40 EDAB C[C@@]12C[C@H](CN)N(C(=O)CCc3cccnc3)[C@@H]1CCCC[C@H]2O 257220892 DMQURDIHGPBBSZ-YWTNHNAXSA-N 331.460 1.884 0 40 EDAB CCn1cc(-c2nccnc2C2CCN(C(=O)COC)CC2)cn1 257303086 SFRZSJAUTNYISQ-UHFFFAOYSA-N 329.404 1.712 0 40 EDAB C[C@]1(C(N)=O)CCCN(Cc2cn(-c3ccccc3C(=O)O)cn2)C1 257281701 OQOOEYYEFRJMGI-SFHVURJKSA-N 342.399 1.658 0 40 EDAB CC(=O)N1CC[C@H](Cc2cc(-c3cncc(C(=O)O)c3)ncn2)C1 257263775 LRJQPNZBKSXNDW-GFCCVEGCSA-N 326.356 1.648 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1OC(c1ccccc1)=NN2C 257173742 WATZELKFZZLQLW-UHFFFAOYSA-N 325.372 1.812 0 40 EDAB CCNc1ncc(S(=O)(=O)N(C)CCOC)cc1C(F)(F)F 1615046108 WHXOZDRTBZJGJL-UHFFFAOYSA-N 341.355 1.799 0 40 EDAB C[C@H](CCc1ccco1)NC(=O)c1csc(S(N)(=O)=O)c1 63665260 AJHWLQYODHOJGO-SECBINFHSA-N 328.415 1.740 0 40 EDAB COC(=O)[C@@H]1CCc2nnc(-c3cc(Br)cn3C)n2C1 601043777 BIKDLHBFKVUXAA-MRVPVSSYSA-N 339.193 1.782 0 40 EDAB CN(C)C(=O)C[C@]1(O)CCCN(C(=O)NCC(F)(F)C(C)(C)C)C1 667258103 AZWAHLNFOQXNAN-OAHLLOKOSA-N 349.422 1.683 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)N1 48029925 PFUOIXBBFVYWCH-UHFFFAOYSA-N 340.339 1.156 0 40 EDAB Cc1noc(CSc2ccc(C(=O)N[C@@H]3CCCNC3=O)cc2)n1 50635387 KVVCVLCXXDPTIL-CYBMUJFWSA-N 346.412 1.679 0 40 EDAB NC(=O)[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 40490290 QDCOJTABRCQVBB-INIZCTEOSA-N 345.424 1.865 0 40 EDAB Cc1cccn2cc(CC(=O)NCCNC(=O)OC(C)(C)C)nc12 58426145 ZGFOQLFGOOESDC-UHFFFAOYSA-N 332.404 1.826 0 40 EDAB CCOC(=O)CCN(C1CC1)S(=O)(=O)C[C@@H]1C[C@H]1C(F)F 1616036449 VXPRZCYXRMLLNU-GXSJLCMTSA-N 325.377 1.635 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2sccc2C)NC(=S)N1 5786961 XYOHQESRXURRKI-LBPRGKRZSA-N 337.470 1.708 0 40 EDAB Cc1nc(C)n(CCNC(=O)[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C)n1 12195741 KLBWSIDIAVXKJU-QFYYESIMSA-N 345.378 1.589 0 40 EDAB CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCCCC3)ccc21 12326609 BFMKTSQOTRVQLR-QGZVFWFLSA-N 338.473 1.918 0 40 EDAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CC(N)=O)CC2)C1 12365555 VEPDIIDAFWCRAQ-UHFFFAOYSA-N 331.416 1.056 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1)N1CCOCC1 19078407 VNSFDOHQQXRYGE-GOEBONIOSA-N 342.443 1.990 0 40 EDAB CN1C[C@H](c2cc(=O)[nH]c(N(C)CCc3ccccc3)n2)CC1=O 19587492 LEYLJUADZCIRLC-CQSZACIVSA-N 326.400 1.395 0 40 EDAB CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)C(C)C)C2 19711363 QJNQUDBEUNUSIS-UHFFFAOYSA-N 331.464 1.868 0 40 EDAB O=C1[C@@H](N2CCC(Oc3ncc(Cl)cn3)CC2)CCN1C1CC1 1888834520 APXYIRKYNXGLTG-AWEZNQCLSA-N 336.823 1.737 0 40 EDAB COc1cc(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc(OC)c1C 23279709 TVFOIJCVONIAMJ-JTQLQIEISA-N 336.344 1.109 0 40 EDAB O=C(C1=COCCO1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23641387 QBXDBBHOSMIPKN-UHFFFAOYSA-N 343.305 1.637 0 40 EDAB O=S(=O)(N[C@@H](Cn1nccn1)c1ccccc1)c1cccnc1 239611743 FDAMEKGKPHYHRK-HNNXBMFYSA-N 329.385 1.393 0 40 EDAB CS(=O)(=O)CCC(=O)N1CC2(C[C@H](NC3CCCC3)CS2)C1 2056225358 NHEKFHKPUKZLKE-ZDUSSCGKSA-N 346.518 1.040 0 40 EDAB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@@H]1c1cccc(O)c1 1441660 PGLJDRQMKJTKDP-AWEZNQCLSA-N 333.369 1.423 0 40 EDAB O=C(CSc1nc(O)c2c[nH]nc2n1)Nc1ccc2c(c1)OCO2 4249623 QIVJZXRZWUQTSO-UHFFFAOYSA-N 345.340 1.518 0 40 EDAB C=CC(=O)N1CCC(Nc2cccc(OC)c2)(C(=O)N(C)C)CC1 2055771930 JWBQIPKXKQXPSO-UHFFFAOYSA-N 331.416 1.743 0 40 EDAB O=C(NCCOCCn1cncn1)c1ccc(C(F)(F)F)nc1 585150352 BKPLSCBFXISYJR-UHFFFAOYSA-N 329.282 1.139 0 40 EDAB CN(C)c1ccnc(CNC(=O)c2ccc(Br)o2)n1 211099070 WVPNHGCICVWQSI-UHFFFAOYSA-N 325.166 1.828 0 40 EDAB CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(C)cc2)CC1 3228063 UGSFQORPYATUOE-UHFFFAOYSA-N 333.384 1.954 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@@](O)(c1ccco1)C1CC1 75154977 DNIIRGMYVRVSBD-INIZCTEOSA-N 334.397 1.371 0 40 EDAB Cn1cnc2c1c(=O)n(CCCSCc1ccccc1)c(=O)n2C 40051845 JPUUUKQFXAGPOD-UHFFFAOYSA-N 344.440 1.757 0 40 EDAB CN(Cc1ccc(Br)cc1)S(=O)(=O)N1CCOCC1 40488203 GGXFMISLWSAPQN-UHFFFAOYSA-N 349.250 1.458 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Oc2ccccc2)nc1 40549826 ZEMGHTTYISXWAJ-ZDUSSCGKSA-N 332.381 1.791 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)Nc3cc(C)nn3C)CC2=O)cc1 40512289 TYNZUUAQIAYARS-LBPRGKRZSA-N 328.372 1.729 0 40 EDAB O=C1CN(C(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)CCN1 40553398 KJRMSMWENWHMFA-GFCCVEGCSA-N 344.440 1.471 0 40 EDAB CC(=O)Nc1nc2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2s1 32089081 VJGPDCRNKOFCMC-NSHDSACASA-N 332.385 1.345 0 40 EDAB Cn1c(=O)c2ccc(C(=O)Nc3cccc(F)c3)nc2n(C)c1=O 32796372 UNEUFSUJHIBBGS-UHFFFAOYSA-N 328.303 1.024 0 40 EDAB Cc1nn2c(nc(N3C[C@@H](O)C[C@@H]3C(N)=O)c3ccccc32)c1Cl 32853431 KPHPOIIADJIFBC-JOYOIKCWSA-N 345.790 1.269 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 33209546 WZJGDJUBQSKDEB-NSHDSACASA-N 348.380 1.172 0 40 EDAB O=C1C[C@H](n2nnn(-c3ccccc3Cl)c2=S)[C@H]2CO[C@H]1O2 103003151 QOANVVRGSJBXIG-WCQGTBRESA-N 338.776 1.707 0 40 EDAB O=C(c1ccnc(-n2cncn2)c1)N1CCN(C2CCCC2)CC1 53798718 MLEHYXTXNQWZNG-UHFFFAOYSA-N 326.404 1.363 0 40 EDAB C[C@H]1C[C@H]1C(=O)OCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 22770653 XALUIWXVCWHNHE-XJKSGUPXSA-N 344.411 1.738 0 40 EDAB O=C(NCCN1C(=O)CCC1=O)c1ccc(N2CCCCCC2)nc1 72811963 CJONSQXBQIPCSG-UHFFFAOYSA-N 344.415 1.341 0 40 EDAB C[C@H](CNC(=O)NCCc1ccc2c(c1)OCCO2)N1CCOCC1 47718195 GRLXLYIRXIROEH-CQSZACIVSA-N 349.431 1.020 0 40 EDAB O=C(NC[C@@]1(O)CCSC1)[C@H]1CCCN1C(=O)Cc1ccccc1 82967259 NRZVPDHPXPGPTM-QAPCUYQASA-N 348.468 1.204 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCc1ccco1 24590380 NTVXKGGMJILLJU-UHFFFAOYSA-N 327.340 1.032 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc(C2CC2)on1 24685524 NLQVLRGXKMOPOT-LLVKDONJSA-N 327.406 1.096 0 40 EDAB O=C(NCCn1ccnc1)N[C@@H](CN1CCCC1=O)c1ccccc1 43311369 MLHGGUCAYLUPOJ-INIZCTEOSA-N 341.415 1.546 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2C[C@@H](O)COCc2ccco2)n1 106666283 LVCSCDUIMKLKPI-HZPDHXFCSA-N 334.420 1.530 0 40 EDAB Cc1csc(=O)n1CCC(=O)NC[C@@H](C(C)C)N1CCOCC1 43483423 ZFPRXLRFTGDEGF-AWEZNQCLSA-N 341.477 1.081 0 40 EDAB O=C(CC(=O)NN=Cc1ccc(F)cc1)NN=Cc1ccc(F)cc1 8023109 MAPYVAYHBIZRRN-UHFFFAOYSA-N 344.321 1.955 0 40 EDAB O=C(Cn1nnc(COc2ccccc2)n1)OCC(=O)c1ccc[nH]1 10917458 JAEPFLDODUFUEC-UHFFFAOYSA-N 341.327 1.006 0 40 EDAB C[C@@H](CC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)NC(=O)C1CCCC1 72287521 DRPQXIBXROSPQW-DZGCQCFKSA-N 347.463 1.200 0 40 EDAB Cc1ccsc1/C=C/C(=O)N1CCC(NS(C)(=O)=O)CC1 26100254 KUWDPVQAUXQRHM-ONEGZZNKSA-N 328.459 1.610 0 40 EDAB C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(Cl)cc1 35288705 JUYMHXOJJYPDJH-FZMZJTMJSA-N 344.864 1.464 0 40 EDAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2cccc(O)c2)N1CCO 35385014 GELCIDYIKMWDBA-DOTOQJQBSA-N 349.408 1.034 0 40 EDAB CN1CC[C@H](C(=O)N2CCN(Cc3ccccc3F)CC2)CC1=O 44265947 CKYXODKQBYHHLD-AWEZNQCLSA-N 333.407 1.338 0 40 EDAB C[C@@H]1COCCN1C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 44492609 BYUSNCAUCRHBKW-GFCCVEGCSA-N 333.363 1.551 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)n1 72279934 LHKTVKLMTDRIAF-HZPDHXFCSA-N 347.463 1.672 0 40 EDAB C[C@@H](C(=O)NC(N)=O)N(C)Cc1cc(Br)ccc1F 58184515 FCBZSMJSSFJSRT-ZETCQYMHSA-N 332.173 1.603 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNC[C@@H](O)COc1c(C)cccc1C)CN2 58299024 QKQIWIVQNGQQGN-DLBZAZTESA-N 344.459 1.880 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C)cc(C)c1C 44915469 AAASJELPJSELAK-LLVKDONJSA-N 326.418 1.072 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)N1CC=C(c2ccccc2)CC1 44910247 FZWQYXYVOBPNBO-CQSZACIVSA-N 334.441 1.920 0 40 EDAB CCOC(=O)c1nn(-c2ccc(OCC)cc2)c2nnc(C)c(=O)n12 2181289 XCTFEEKNLSEYES-UHFFFAOYSA-N 343.343 1.159 0 40 EDAB O=C(O)C1CCN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1 2123172 QNCHXXXHBRGYFB-UHFFFAOYSA-N 331.324 1.495 0 40 EDAB biogenic CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1cc(C)on1 3350463 QNCLGQMFXPWZGM-UHFFFAOYSA-N 348.378 1.699 0 40 EDAB CCO[C@@H](CC)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 58379378 LKBRFVJRTUQSRB-INIZCTEOSA-N 333.432 1.267 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)Nc2ccccn2)s1 58309775 XXZAIERVMWWUBJ-UHFFFAOYSA-N 326.403 1.373 0 40 EDAB O=C1OCC[C@H]1Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1 58394039 DXYFVHNZCOZGRP-VXGBXAGGSA-N 338.433 1.465 0 40 EDAB CC(C)OC(=O)N(C)c1nn(C)cc1S(=O)(=O)N1CCCC1 57478209 HEUBPPGUKIOFNS-UHFFFAOYSA-N 330.410 1.186 0 40 EDAB CCCCn1c(N)c(N(C)CCCOc2ccccc2)c(=O)[nH]c1=O 11237052 GSXRRADAJDEKBG-UHFFFAOYSA-N 346.431 1.824 0 40 EDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCO)nn12)[C@@H](C)CCC3 2431180 JYYUALAQWVNWJP-QMMMGPOBSA-N 345.428 1.809 0 40 EDAB O=c1cccnn1CCCNS(=O)(=O)c1ccc2ccccc2c1 23137480 DUEQNHCKFVKBQG-UHFFFAOYSA-N 343.408 1.765 0 40 EDAB O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1 46346654 UYDBKNPZOLKPIZ-UHFFFAOYSA-N 340.376 1.794 0 40 EDAB Nc1cccc2c1C(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)C2=O 3431362 GVSYUQGUIQCSDM-UHFFFAOYSA-N 349.268 1.921 0 40 EDAB OCCn1ncc2c(NCc3cn4cc(Cl)ccc4n3)ncnc21 62640112 CEZQDKKTOQQPGQ-UHFFFAOYSA-N 343.778 1.732 0 40 EDAB CCOC(=O)N1CCN(S(=O)(=O)Nc2ccccc2CC)CC1 72313011 DWZFTZIFQLLXAK-UHFFFAOYSA-N 341.433 1.680 0 40 EDAB Cc1ccc(SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 23930047 HCTCSYWEIAMMEP-UHFFFAOYSA-N 347.484 1.510 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NC2(C(=O)O)CCCCC2)c1 13267594 XJDMDCGTJZFQQP-UHFFFAOYSA-N 343.401 1.770 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@@H](C(=O)O)C3)ccc12 13653561 OWLQWFCKFRBMMM-GFCCVEGCSA-N 345.351 1.803 0 40 EDAB biogenic CN(C)c1ncnc2c1CN(Cc1nc(-c3ccccn3)no1)CC2 97200439 ZDRQKGMIUYBMRD-UHFFFAOYSA-N 337.387 1.546 0 40 EDAB CCOc1ncnc2c1CN(C[C@@H](O)COc1cccc(C)c1)CC2 65457966 MYPXWQVVYFXYEW-OAHLLOKOSA-N 343.427 1.982 0 40 EDAB O=C(CN1CCc2ccccc21)Nc1cccnc1N1CCOCC1 65548714 ZGYNRTJSQPFUPE-UHFFFAOYSA-N 338.411 1.919 0 40 EDAB CN1N=C(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCC1=O 65624849 PYYQQKJNBQFNJN-MRXNPFEDSA-N 342.443 1.623 0 40 EDAB C[C@H](NC(=O)CCC1CCCCC1)C(=O)N1CCS(=O)(=O)CC1 65607313 SZXGHCBMDBXBEL-ZDUSSCGKSA-N 344.477 1.109 0 40 EDAB Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1c(C)noc1C 14233874 BUGWPPHSRNMOGE-UHFFFAOYSA-N 337.401 1.859 0 40 EDAB COC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(C(C)C)c2)C1=O 66083469 GPTYZQXKUFDCGP-KRWDZBQOSA-N 333.388 1.705 0 40 EDAB CNC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 4715381 XAIIFHZXMGXHIV-UHFFFAOYSA-N 332.425 1.844 0 40 EDAB O=C(CN1CSCC1=O)Nc1ccccc1C(=O)NC1CCCC1 6879668 ZWUKSQGGCHBAJG-UHFFFAOYSA-N 347.440 1.830 0 40 EDAB CCN(CC)c1ncc(S(=O)(=O)c2ccc(OC)cc2)c(N)n1 71772012 SMNDFIMPRNWBFU-UHFFFAOYSA-N 336.417 1.746 0 40 EDAB COc1ccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1Cl 4945161 DQQTUYPYPQNZDU-UHFFFAOYSA-N 347.762 1.237 0 40 EDAB CC[C@H](NCC(=O)N[C@H]1CCCCNC1=O)c1ccc(F)cc1F 96491948 XKWRPVGBKUHRLO-GJZGRUSLSA-N 339.386 1.790 0 40 EDAB COC(=O)[C@@H](CCSC)NC(=O)CNC(=O)c1ccc(C)cc1 15556989 ITGXHBIZDCSNKL-CYBMUJFWSA-N 338.429 1.136 0 40 EDAB CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cccc2c1NCCC2 67675348 XCJZVJIQJHPYFN-ZBFHGGJFSA-N 344.459 1.455 0 40 EDAB C[C@H](CNC(=O)N1CCN(c2ncccc2F)CC1)Cn1cccn1 90550875 NZWBGPHMTAFRRB-CQSZACIVSA-N 346.410 1.585 0 40 EDAB Cn1cc(C[C@H]2CCN(S(=O)(=O)c3ccc(Cl)nc3)C2)cn1 80784824 HIQACTFVDJEYIF-LLVKDONJSA-N 340.836 1.722 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1OCC 8057568 AOZIKUIOHIYRGV-UHFFFAOYSA-N 344.433 1.193 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)N3CCCn4ncnc43)CC2=O)cc1 71826667 OWLWDUZRCJYSHF-LBPRGKRZSA-N 341.371 1.077 0 40 EDAB COCCN1CCN(CC(=O)NCCc2cccs2)C[C@H]1C 70006268 PZNCDYRGYCOPFT-CQSZACIVSA-N 325.478 1.059 0 40 EDAB CCOc1ccccc1N1C(=O)C(=O)N(Cc2cnn(C)c2)C1=O 69381484 ANPOXVQNRAUSFD-UHFFFAOYSA-N 328.328 1.314 0 40 EDAB COCCN(C)C[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1F 69322869 PMXMCBAZNPFKPO-LBPRGKRZSA-N 348.415 1.696 0 40 EDAB Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccccc2)n1 69379938 FTRUNHTUDVYTAM-UHFFFAOYSA-N 340.383 1.217 0 40 EDAB CC(C)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]c1=O 8391763 AGERFJREVIKHEC-UHFFFAOYSA-N 337.401 1.067 0 40 EDAB O=C(Cc1ccccc1O)N1CCN(C(=O)c2ccsc2)CC1 69517755 DUCKBXDWZGWPLL-UHFFFAOYSA-N 330.409 1.981 0 40 EDAB Cc1ccc(N2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)nn1 69512705 TZSFUDFXGYIERG-UHFFFAOYSA-N 326.404 1.349 0 40 EDAB CN(CCN1CCOCC1)C(=O)CCC(=O)c1ccc(F)cc1F 69560540 XZCUEMJLNGUKRQ-UHFFFAOYSA-N 340.370 1.718 0 40 EDAB Cn1cc(C(N)=O)cc1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91758380 DVNHCPQFUHDPSV-BXUZGUMPSA-N 349.337 1.350 0 40 EDAB CCN(Cc1cccc(F)c1)C(=O)CN1CCN(C[C@@H](C)O)CC1 69627906 JYOSBCYBUIMQGO-OAHLLOKOSA-N 337.439 1.173 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)CCc3nccs3)CC2)n1 69630488 CWBRKPHPTCJBBT-UHFFFAOYSA-N 347.444 1.532 0 40 EDAB Cn1c2c(c(=O)n(C)c1=O)C(c1ccccc1)(c1ccccc1)C(=O)O2 8511840 NJTRVAMVHRPHIO-UHFFFAOYSA-N 348.358 1.337 0 40 EDAB CN(C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1)S(C)(=O)=O 70450307 NBVVCDNRSHTRFK-CVEARBPZSA-N 336.457 1.673 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H](c1ccccc1)n1cccn1)C2 69808093 GTAHCHKGSZXPRQ-QGZVFWFLSA-N 336.399 1.669 0 40 EDAB COc1ccc(CC(=O)N(C2CC2)[C@H]2CC(O)=NC2=O)cc1OC 69901244 NBKBLLRJACTPLD-LBPRGKRZSA-N 332.356 1.493 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCC(=O)c1ccc(F)cc1 18241135 CNBMMEAGFDKVER-KBPBESRZSA-N 345.326 1.503 0 40 EDAB COc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)cn1 95461234 OFACHLAKACJWEH-UHFFFAOYSA-N 329.312 1.439 0 40 EDAB O=C(O)[C@@H]1CCCN(C(=O)COc2ccc3ccc(=O)oc3c2)C1 8879353 VUXXHUHCZSFHBG-GFCCVEGCSA-N 331.324 1.495 0 40 EDAB biogenic Cc1cc(NC(=O)[C@@H](C)N2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)on1 84124454 RVDIHGSASUOGFE-NEPJUHHUSA-N 348.407 1.625 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1cc2ccccc2[nH]1 95957077 BSOODPCATIXQSE-GASCZTMLSA-N 339.395 1.959 0 40 EDAB C[C@@H](CO)NS(=O)(=O)c1cc(N(C)C)ccc1Br 95980841 XYDJGIWIEKQLPU-QMMMGPOBSA-N 337.239 1.174 0 40 EDAB CN(C)S(=O)(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 95981651 YRGRDAJTKGZLED-UHFFFAOYSA-N 327.233 1.594 0 40 EDAB C[C@H](c1ccccc1)N1CC[C@H](NC[C@](C)(O)CN2CCOCC2)C1 88734851 ZXMRLUCFMUHXBO-HOJAQTOUSA-N 347.503 1.495 0 40 EDAB CCc1ncncc1C(=O)N1CCN(c2nncc3ccccc23)CC1 75144834 YRUGAUTXEKHIFN-UHFFFAOYSA-N 348.410 1.945 0 40 EDAB CC(C)CCO[C@H](C)C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 75143896 ZXHMAQRVFMXOHV-OAHLLOKOSA-N 349.479 1.642 0 40 EDAB O=C(CN[C@H]1CCCN(Cc2noc(C3CC3)n2)C1)N1CCCC1 75132887 INRLLVWWJKKSLG-AWEZNQCLSA-N 333.436 1.123 0 40 EDAB COC(=O)N[C@H]1CS[C@H](CCCCC(=O)O)[C@@H]1NC(=O)OC 4409425 MYWMFXBHMKFOKF-IQJOONFLSA-N 334.394 1.196 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc(C(N)=O)c3)C2=O)o1 60346262 CUJCUJGKUMJOIF-KRWDZBQOSA-N 327.340 1.654 0 40 EDAB COc1ccccc1CN(C)C(=O)CN1C(=O)NC2(CCCC2)C1=O 23594020 XUELWRWCHGREPX-UHFFFAOYSA-N 345.399 1.518 0 40 EDAB Cc1ccc2c(c1)[C@@]1(N[C@@H](C)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 33543069 MYNLKDKCNCJUIJ-FUDCFQHSSA-N 341.411 1.534 0 40 EDAB C[C@@H]1NCC[C@@H]1C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 514601189 FBVTWVSSQLGXFL-BHYGNILZSA-N 325.412 1.704 0 40 EDAB CCCNC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 35485345 OCHZGWPBWXSQMD-KRWDZBQOSA-N 329.444 1.466 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@H]1C2 306123751 AVSCJEIGXWMWJL-CABCVRRESA-N 340.431 1.116 0 40 EDAB CN(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCSC1 534478642 XTCVIQCYUJGBNR-GFCCVEGCSA-N 343.474 1.023 0 40 EDAB CC(=O)NC1CCN(C(=O)c2cc([C@H]3CCCN3C)ccn2)CC1 72365885 JFAYUIDHRCBITI-QGZVFWFLSA-N 330.432 1.589 0 40 EDAB O=C(NCc1cccnc1)[C@H]1COCC(=O)N1Cc1ccccc1 70641347 REMGSXQAUCCMLH-MRXNPFEDSA-N 325.368 1.125 0 40 EDAB COc1cc2nc(C)n(CC(=O)NCCC(C)C)c(=O)c2cc1OC 72326256 RRIVGBCHYUTWAI-UHFFFAOYSA-N 347.415 1.884 0 40 EDAB biogenic CO[C@H]1CCC[C@@H](C(=O)NCCn2nc(-c3ccco3)ccc2=O)C1 72346816 SDQBUFYOYQQMJO-KGLIPLIRSA-N 345.399 1.825 0 40 EDAB Cc1cc(C(=O)N[C@H]2CN3CCC2CC3)nc(C2CCN(C)CC2)n1 72369465 GEMYULLLFIPLFI-KRWDZBQOSA-N 343.475 1.418 0 40 EDAB C[C@@H]1CCc2ccccc2N1CCC(=O)N(C)CCS(C)(=O)=O 73337611 JODYIYAZSRKINA-CQSZACIVSA-N 338.473 1.721 0 40 EDAB O=C(NCCOc1ccc(F)c(F)c1)N1CCC2(CC1)OCCO2 78605160 SJECKBOQYJGLDN-UHFFFAOYSA-N 342.342 1.892 0 40 EDAB Cc1cc(C(=O)N2CCCCC2)c2c(=O)[nH]c(=O)n(CC(C)C)c2n1 47218863 KWALVZHHKGVZJN-UHFFFAOYSA-N 344.415 1.675 0 40 EDAB O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@@H](O)C1 77717961 QPXWTHKIQPTSIL-SECBINFHSA-N 345.168 1.510 0 40 EDAB CCc1ccc(NC(=O)C(=O)N2CCCN(C(=O)OC)CC2)cc1 69893167 MHLPRKJVZGWUMQ-UHFFFAOYSA-N 333.388 1.488 0 40 EDAB Cn1c(=O)[nH]cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1=O 75172486 XIPHHWOLFXJSFL-UHFFFAOYSA-N 333.347 1.897 0 40 EDAB CCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C)CC3)ccc21 225691002 YIDMMKKTMLOOSN-UHFFFAOYSA-N 341.458 1.019 0 40 EDAB CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)c2cnccn2)c1 223235263 YAKWFIWILWMZPM-UHFFFAOYSA-N 348.428 1.804 0 40 EDAB Cn1cccc1C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225730704 JLOOWSSECWAXBL-UHFFFAOYSA-N 339.321 1.796 0 40 EDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2nc3ccccc3s2)C1 85397256 JHVNINGFPKKLCZ-SECBINFHSA-N 326.399 1.782 0 40 EDAB CC(C)[C@@H](Cn1nccn1)NS(=O)(=O)c1ccc2c(c1)CCO2 238844953 ICXXWFOKOKYGPY-CQSZACIVSA-N 336.417 1.216 0 40 EDAB O=C(C1CC1)N1CCOC[C@@H]1c1nccc(Nc2ccccn2)n1 96217847 JAXUQWMTURKKTI-CYBMUJFWSA-N 325.372 1.925 0 40 EDAB Cc1noc(C)c1CN1CC[C@@]2(CCCN(CC(=O)N(C)C)C2)C1 96215306 FMMNANIVYHFATC-GOSISDBHSA-N 334.464 1.668 0 40 EDAB C[C@H](CCc1cccn1C)NC(=O)NC[C@@H]1CCS(=O)(=O)C1 96437705 JPEATWXNBPUUDD-OLZOCXBDSA-N 327.450 1.080 0 40 EDAB CN(C)CCNC(=O)CN1C(=O)c2ccccc2Oc2ncccc21 96118869 MINXNUBXDPPZDK-UHFFFAOYSA-N 340.383 1.512 0 40 EDAB Cc1ccc(CN2CCOC[C@]3(C2)CN(c2ccoc2)C(=O)CO3)o1 96051399 MOIVJNIRGWUFHT-SFHVURJKSA-N 346.383 1.815 0 40 EDAB O=C(Cn1cnnn1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 97237881 WRXXFFXCARTWCN-GFCCVEGCSA-N 341.293 1.292 0 40 EDAB CCn1nc(C)c2nnn(CC(=O)Nc3ccc(C)c(C)c3)c(=O)c21 96182375 AWISYURVGKCPLJ-UHFFFAOYSA-N 340.387 1.572 0 40 EDAB O=C(CS(=O)(=O)C1CC1)N[C@@H]1c2ccccc2CC12CCOCC2 579919323 QQJXOIYETHYUJZ-QGZVFWFLSA-N 349.452 1.774 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 96420686 KVAIEYRDBKBGFK-GOSISDBHSA-N 325.412 1.941 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)c1ccccn1 583623218 WSLMWZAMLUGLOT-CHWSQXEVSA-N 342.403 1.194 0 40 EDAB Cn1nnc(-c2cccc(NC(=O)c3cc(-c4cccnc4)n[nH]3)c2)n1 96118120 IZJYJGDPXNBPDI-UHFFFAOYSA-N 346.354 1.915 0 40 EDAB O=c1[nH]cccc1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCOCC1 95476262 JJRHLVZJTPUZRP-NSHDSACASA-N 330.344 1.340 0 40 EDAB Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)Cn3cncn3)cc2)co1 96409585 FDYRUNIWZFTRNK-NSHDSACASA-N 347.400 1.609 0 40 EDAB CN(C)c1cnc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 331863555 GARZXJIBTWQORC-XHDPSFHLSA-N 348.353 1.769 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc3ccco3)C1)C2 97198696 WRHWVOYLMPPBHY-UONOGXRCSA-N 342.399 1.264 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@H](C(=O)NCc4ccco4)[C@H]3C2)no1 96220423 HKDVKRIPJAXRRK-OWCLPIDISA-N 331.372 1.339 0 40 EDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2S(=O)(=O)C2CC2)cn1 96200276 LAGPXIULQCSXKW-JKSUJKDBSA-N 339.461 1.324 0 40 EDAB COCC(=O)NCC[C@@H]1CCOC12CN(Cc1ccccc1F)C2 247806831 AAJBPGVAQZNHMF-OAHLLOKOSA-N 336.407 1.569 0 40 EDAB O=C(NCc1cncc2c1CCN(c1ncccn1)C2)c1ccco1 247460772 AVAZANUYPSMZRP-UHFFFAOYSA-N 335.367 1.957 0 40 EDAB C[C@@H]1NC(=O)[C@@H](C)N(C(=O)NCCCOCC(F)(F)F)[C@@H]1C 585137577 HJYHNRTUNAAAJQ-IVZWLZJFSA-N 325.331 1.262 0 40 EDAB CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)[C@@H]2COCCO2)C12CCC2 585112847 DYODYJGMDCRENF-RWMBFGLXSA-N 340.420 1.354 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C12CCC2 585124177 MDUCNUJOYPRYSI-GFCCVEGCSA-N 332.466 1.553 0 40 EDAB C[C@H]1CN(Cc2c(I)cnn2C)C[C@@H](C)O1 585136823 UHMOMURRGDVLKW-DTORHVGOSA-N 335.189 1.634 0 40 EDAB COC(=O)[C@@H]1CC12CCN(S(=O)(=O)C[C@H](OC)C1CCC1)CC2 585115809 UJBWRPOWLYFXQX-KBPBESRZSA-N 345.461 1.406 0 40 EDAB CCn1ncc(S(=O)(=O)N2CC[C@H]3NCCCC[C@@H]3C2)c1C 257204971 AXBRBFHYWAQEKC-ZIAGYGMSSA-N 326.466 1.364 0 40 EDAB C[C@@]1(O)CCN(CC(=O)N2CCCCC2)C[C@H]1Oc1ccccc1 257260688 LDXISZRRIRJUTL-IEBWSBKVSA-N 332.444 1.903 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@@H](Cc3cc(C)ncn3)C2)cn1 257321104 WACCRFWUCDYHMU-HNNXBMFYSA-N 326.400 1.820 0 40 EDAB CCn1nccc1-c1cc(C[C@H]2CCN(S(C)(=O)=O)C2)ccn1 257328438 XFQBWWHRTPZNAH-CQSZACIVSA-N 334.445 1.789 0 40 EDAB Cc1cc2nccc(C3CCN(CC(=O)N4CCOCC4)CC3)n2n1 257203833 ARWAGFJBSORTSW-UHFFFAOYSA-N 343.431 1.076 0 40 EDAB CNC(=O)[C@@H]1CN(C(C)C)CCN1C(=O)CCc1ccccc1OC 257304996 SNZCOKWSVFIZCR-INIZCTEOSA-N 347.459 1.295 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1n[nH]c2c1CCC2 257323346 WJTWSDUEULPDAK-ZDUSSCGKSA-N 341.415 1.471 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCO[C@@H](c3ccnc(C)c3)C2)ccn1 257306785 SVWPHNUZXCXWRL-MRXNPFEDSA-N 340.383 1.957 0 40 EDAB CCOC(=O)[C@]1(N)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)CC 252514280 BRXZXGWTOHDPCK-FMKPAKJESA-N 325.430 1.410 0 40 EDAB COCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CC2CC2)C(=O)C3)C1 257315756 VCQUWDJPSWVYQN-CYBMUJFWSA-N 344.415 1.046 0 40 EDAB CN1C(=O)CO[C@@H]2CCN(C(=O)c3cccc4ncccc34)C[C@@H]21 257283025 OWLGFZZGWAAUEP-JKSUJKDBSA-N 325.368 1.307 0 40 EDAB Cc1cc(C(=O)Nc2nc(CC(=O)O)cs2)c2c(C)nn(C)c2n1 606148582 PAEKTPOVNVBAIQ-UHFFFAOYSA-N 345.384 1.921 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)N[C@H](C(N)=O)c1ccccc1 1615590467 PPURVAFZBUSMCA-DOMZBBRYSA-N 329.404 1.607 0 40 EDAB Cc1ccccc1OCC(=O)N1CC(S(=O)(=O)Cc2ccco2)C1 96122056 FPYAGCOPBVPKMV-UHFFFAOYSA-N 349.408 1.793 0 40 EDAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3cccnc3)C2)cc1 96377798 XPPWLEFFSRSKCZ-UHFFFAOYSA-N 332.381 1.389 0 40 EDAB O=C(O)Cn1cc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cn1 647745121 RABJWBMBMQFJFQ-STQMWFEESA-N 343.339 1.481 0 40 EDAB CC(C)N1CC2(C1)OCC[C@@H]2CCNS(=O)(=O)c1ccccc1 585102848 KNNRCHHAFPVUBA-HNNXBMFYSA-N 338.473 1.854 0 40 EDAB O=C(CCn1ccnc1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585288032 NQSHJILRULOZNM-YQVWRLOYSA-N 341.411 1.419 0 40 EDAB O=C(NC1CCC1)[C@@H]1C[C@]12CCN(C(=O)CCc1cncnc1)C2 585101516 KXINATOMIAUVSG-YJBOKZPZSA-N 328.416 1.317 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCC[S@@](=O)c3ccccc3)nc2n1 69737277 DHJQMNIILVYXTI-DEOSSOPVSA-N 343.412 1.279 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccccc1S(C)(=O)=O 71899993 AVXIVFUUDZMIGJ-JTQLQIEISA-N 335.429 1.931 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccnc3)CCO2)n1 76046728 XOTWKIYDVNBFTJ-KFWWJZLASA-N 341.415 1.856 0 40 EDAB CC(C)c1nc(CC(=O)N2CC[C@H](CN3CCOCC3)C2)cs1 76041695 AJRXZJPTWATOMJ-CQSZACIVSA-N 337.489 1.990 0 40 EDAB CCOC(=O)C1(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCCC1 56368134 YDAOFAOPGNPVSD-ZDUSSCGKSA-N 336.432 1.770 0 40 EDAB C[C@H]1CCCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 585121362 NHIMFIHNGJLZGN-NSHDSACASA-N 343.424 1.534 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCCO)c1ccc(Cl)cc1 98066944 CTSCUWJCCBQMNM-INIZCTEOSA-N 346.814 1.790 0 40 EDAB COCCN1C(=O)CC2(CCN(C(=O)C3CCC3)CC2)n2nccc21 1772596089 BEUNGWDLFWFVMJ-UHFFFAOYSA-N 346.431 1.384 0 40 EDAB Cn1c(=O)c2c(ncn2CCCOc2ccc(F)cc2)n(C)c1=O 5117885 ZHSJZHRYJHHVIA-UHFFFAOYSA-N 332.335 1.042 0 40 EDAB O=C([C@@H]1CCCO1)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1 12144707 XESHDWLJGGZCPP-HNNXBMFYSA-N 325.368 1.501 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1 12156083 SYDKAQVSBRPEQT-HNNXBMFYSA-N 345.378 1.822 0 40 EDAB CC(C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(C(C)C)CC3 12187088 UVSPJEDJZCFNMD-UHFFFAOYSA-N 342.443 1.801 0 40 EDAB O=C(NCCNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccccn1 12204747 DKLCPGVKPGVKGD-HNNXBMFYSA-N 345.786 1.585 0 40 EDAB CC(=O)NC1CCN(Cc2cc(-c3scnc3C)nn2C)CC1 19562413 YRQAYSZFKXKYPY-UHFFFAOYSA-N 333.461 1.953 0 40 EDAB Cc1cc(C)n(CC(=O)N2CC[C@@H](C(=O)N3CCCCCC3)C2)n1 19748043 CLHSVPNYSMWRNH-MRXNPFEDSA-N 332.448 1.751 0 40 EDAB O=C(c1ccccc1F)N1CCC(N2CCN(CCO)CC2)CC1 19888966 MGMLMWRMBKORNH-UHFFFAOYSA-N 335.423 1.040 0 40 EDAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)NC 35311045 WGQFJFYZFOZYBT-UHFFFAOYSA-N 336.417 1.724 0 40 EDAB O=C(CO)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 6561315 YXCDDNNKYPDOMF-UHFFFAOYSA-N 332.809 1.445 0 40 EDAB O=C([C@H]1CN(c2nc3ccc(F)cc3o2)CCO1)N1CCOCC1 1888869460 VTBNHMBVQBGOMG-CQSZACIVSA-N 335.335 1.031 0 40 EDAB O=C([C@@H]1CN(c2nc3ccccc3s2)CCO1)N1CCOCC1 1889130377 BLTMQNSQAKJHQR-ZDUSSCGKSA-N 333.413 1.360 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCCN1C[C@@H](O)CN1CCCC1=O 110615523 ZWGLEXJBTRHTOD-PKOBYXMFSA-N 345.487 1.566 0 40 EDAB O=C1NCCN1C(=O)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238831563 GAOCPBZWGRFWCE-QWHCGFSZSA-N 327.344 1.398 0 40 EDAB COc1ccccc1CC(=O)NCc1nc(-c2ccnc(O)c2)no1 238903209 RQWIEXWHSFBSAG-UHFFFAOYSA-N 340.339 1.705 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@@H](n3nccn3)C2)cc1C 253473408 UUDARAHVTNPCEL-CYBMUJFWSA-N 336.417 1.621 0 40 EDAB O=C(CC1(O)CCC1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 1142618453 UUAUEHIVKDBIMC-MRXNPFEDSA-N 342.439 1.814 0 40 EDAB CCN(CCN(C)C)C(=O)Cn1c(=S)[nH]c2ccccc2c1=O 425372 AHWWGEUSWGKQGP-UHFFFAOYSA-N 334.445 1.469 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1cc(F)ccc1F 5251145 CABCDARZDXVUKA-UHFFFAOYSA-N 334.278 1.948 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)CCC(=O)N2 17200459 WODICYUOZXKEFX-UHFFFAOYSA-N 349.346 1.806 0 40 EDAB CCNc1nc2c(c(O)nc(=O)n2C)n1CCc1ccc(OC)cc1 23115355 ITZRPETUJAKVSB-UHFFFAOYSA-N 343.387 1.519 0 40 EDAB O=C(CSCc1ccccc1)N1CC(CN2C(=O)CCC2=O)C1 606440667 NSBLBTISKRRNRS-UHFFFAOYSA-N 332.425 1.527 0 40 EDAB CCN1CCN(C(=O)N2CCc3sc(Cl)cc3C2)C(=O)C1=O 618256509 SWAHZOIDTVXHJO-UHFFFAOYSA-N 341.820 1.570 0 40 EDAB CCN1C[C@@H](C(=O)O)C(=O)c2cc(F)c(N3CCN(C)CC3)cc21 584577507 KMJYAKINQBFYMD-GFCCVEGCSA-N 335.379 1.301 0 40 EDAB CCc1ccc(N2C(=O)[C@@H]3ON=C(c4cn(C)nc4C)[C@H]3C2=O)cc1 103507260 NPNLRLZERQETBG-GDBMZVCRSA-N 338.367 1.583 0 40 EDAB COc1ncccc1CNC(=O)COc1ccc2c(c1)CCC(=O)N2 30304818 NLNZDQZDQZHLSE-UHFFFAOYSA-N 341.367 1.670 0 40 EDAB CC(C)CN1C[C@@H](C(=O)NCc2cccnc2-n2cccn2)CC1=O 31226903 ITTNHPODWFTPSQ-HNNXBMFYSA-N 341.415 1.388 0 40 EDAB CC(=O)c1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 100702618 YHAPDEFRKKOCKZ-OIISXLGYSA-N 343.379 1.580 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCCO2)N(C[C@@H]1CCOC1)C1CC1 32469090 XANVCPDWAFZQRR-LBPRGKRZSA-N 339.413 1.647 0 40 EDAB O=C(O)C1=C[C@@H](c2c[nH]nc2-c2ccc(F)cc2)n2ncnc2N1 102171712 BUQKPELVEAGJLW-LBPRGKRZSA-N 326.291 1.791 0 40 EDAB COC(=O)Cc1c(C)c2cc(Cl)c(OCC(N)=O)cc2oc1=O 489528 LMTAAARUTZVETE-UHFFFAOYSA-N 339.731 1.334 0 40 EDAB biogenic NS(=O)(=O)c1ccc(CCNC(=O)NCc2ccccc2)cc1 41320344 BAWDIWUXAQGPDL-UHFFFAOYSA-N 333.413 1.376 0 40 EDAB COc1ccc([C@@H](O)CNC(=O)NCc2cccnc2N(C)C)cc1 41448855 YWNISWAXAAESNT-INIZCTEOSA-N 344.415 1.689 0 40 EDAB CC(=O)N1CCCN(C(=O)CCc2nc(-c3ccccc3)no2)CC1 53356482 VSPQIGASGVOYHA-UHFFFAOYSA-N 342.399 1.750 0 40 EDAB C[C@H]1CN([C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)CCO1 103446633 HGVPPHPHHRNLRV-QWHCGFSZSA-N 331.416 1.860 0 40 EDAB COCCN1CCN(CCCc2nc(-c3cccs3)no2)CC1 53432581 NFEMRKJRYKCRPQ-UHFFFAOYSA-N 336.461 1.995 0 40 EDAB Cc1ccc(-n2nnnc2N2CCN(C(=O)C3CCCC3)CC2)cc1 54057328 KHBRRAMDAYDVOI-UHFFFAOYSA-N 340.431 1.810 0 40 EDAB CCc1ccccc1N(CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O 37699 RPZVMGLBBBEHBT-CQSZACIVSA-N 340.445 1.310 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccc(F)cc1 308874 WKJDIEXQQFOXRS-UHFFFAOYSA-N 337.376 1.303 0 40 EDAB C[C@@H]1CN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@@H]1N(C)C 78895022 DJBDRBLVFWXYGO-DOMZBBRYSA-N 328.416 1.264 0 40 EDAB CN(C)[C@@H](C(=O)NCCN1CCOCC1)c1c(F)cccc1Cl 78869455 IBQUKKQSGAHSIG-OAHLLOKOSA-N 343.830 1.530 0 40 EDAB Cc1cnn(CCC(=O)N2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)c1 78889254 GCVHGUQSNBLMJL-ZDUSSCGKSA-N 332.408 1.423 0 40 EDAB O=C1CNNC(Cn2nc(-c3ccccc3)c3ccccc3c2=O)=N1 1626140 PFBUVHUWQTUZRU-UHFFFAOYSA-N 333.351 1.096 0 40 EDAB CCOc1ccccc1NC(=O)C[C@H]1N[C@H]2CCCC[C@H]2NC1=O 4503983 XHQDEPANIZFUCC-GZBFAFLISA-N 331.416 1.813 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1 6061383 GCVLZCXEBPDCAV-AWEZNQCLSA-N 349.364 1.359 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(-n2cnnc2)c1 24703942 ZFHOLIWJQRASBR-UHFFFAOYSA-N 346.350 1.685 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)NC[C@@H]2CCCN(C(C)C)C2)C1 106772734 IJVSXVDNYQXMOE-GJZGRUSLSA-N 340.468 1.637 0 40 EDAB O=C(NCCN1CCOCC1)N1CCC[C@H]1Cc1cccc(F)c1 56781529 IPQGHCXYDNSZFE-KRWDZBQOSA-N 335.423 1.874 0 40 EDAB CN(C(=O)Cn1c(=O)n(C)c(=O)c2sccc21)C1CCCCC1 57478681 LZFYPPVVOXQUQS-UHFFFAOYSA-N 335.429 1.553 0 40 EDAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)CN1C(=O)NC(=O)C1(C)C 83003946 HWVYBYKIIQAVFA-GFCCVEGCSA-N 344.415 1.184 0 40 EDAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H](C)C(=O)O 35686279 XWCCFIJKSZYFIY-JTQLQIEISA-N 333.340 1.632 0 40 EDAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)C1(C)C 57991551 AXXKQAPRYWTQMO-KBPBESRZSA-N 328.478 1.719 0 40 EDAB Cc1ccccc1OCCN(C)[C@H](C)c1nc(N)nc(N(C)C)n1 27374192 TZBKSKYWHLVTRS-CYBMUJFWSA-N 330.436 1.900 0 40 EDAB CCOC(=O)CN(CC(=O)NC(=O)NCc1cccs1)C(C)C 58155780 HBEZRWYEHSQFCT-UHFFFAOYSA-N 341.433 1.347 0 40 EDAB CCCn1nc(C(=O)NC[C@H](c2cccs2)N(C)C)ccc1=O 27675424 LZXBCPLEAQPFGY-CYBMUJFWSA-N 334.445 1.748 0 40 EDAB C[C@@H](CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)c1ccccc1 48251847 XKNUCDNGXPUUIK-DZGCQCFKSA-N 339.461 1.340 0 40 EDAB O=C(NC1CCN(c2ncccn2)CC1)c1ccnc(-n2ccnc2)c1 58255498 VDJMYIDZYRMFDM-UHFFFAOYSA-N 349.398 1.456 0 40 EDAB Cn1cnn(CN2CCN(C(=O)Cc3ccccc3F)CC2)c1=S 58282015 PFIDFYOXYJTXLJ-UHFFFAOYSA-N 349.435 1.435 0 40 EDAB CCc1nnsc1C(=O)NCc1cccc(NS(C)(=O)=O)c1 25239237 AZYUZRCKLITHSR-UHFFFAOYSA-N 340.430 1.402 0 40 EDAB O=C(CNC(=O)c1ccsc1)NC[C@H]1CCN(CC(F)(F)F)C1 58392280 XQOFUEXWDZXXGA-SNVBAGLBSA-N 349.378 1.478 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCC[C@@H](CO)C2)cc1 12781111 TTZGLDREQVDUHV-JKSUJKDBSA-N 347.459 1.485 0 40 EDAB Cc1ccc(CN(C)[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 36420485 QOXQTWGWXZYEQT-HOCLYGCPSA-N 338.473 1.461 0 40 EDAB CCOC(=O)NCC(=O)NCCCNc1ccc(C(F)(F)F)cn1 58152625 HOTXUJPAPQLFEH-UHFFFAOYSA-N 348.325 1.765 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)Nc2ncccc2C)cc1 45708432 WKTVWFDWQZEUJO-UHFFFAOYSA-N 334.401 1.620 0 40 EDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@@H](C)C2)c1 11502278 WPPBGVKSMBXXML-LBPRGKRZSA-N 326.418 1.154 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)c1cc(S(=O)(=O)NC)ccc1C 48324814 JRUWPJFBNHYTFJ-CYBMUJFWSA-N 340.445 1.402 0 40 EDAB CC(=O)C(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55099700 VZAYVRWWSBEKOG-KRWDZBQOSA-N 333.407 1.528 0 40 EDAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc(OCC(N)=O)cc2)no1 29243197 YOKYWJFIWUIVOZ-HNNXBMFYSA-N 329.356 1.824 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2cccnc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691771 RSLVVUUOPBHYPT-SBMIAAHKSA-N 349.334 1.031 0 40 EDAB CN1CCN(c2ncnc3c2nnn3Cc2ccc(Cl)cc2)CC1 2507075 FUMMLQYQRKCOQV-UHFFFAOYSA-N 343.822 1.675 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)Nc2nc(C)c(C)s2)n(C)c1 29772370 SHXNQCVMZDZWMP-UHFFFAOYSA-N 328.419 1.259 0 40 EDAB CN(CCCNC(=O)c1cccc(OCC(N)=O)c1)CC(F)(F)F 46832755 MOIBHQACGXAPLI-UHFFFAOYSA-N 347.337 1.165 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)N[C@H](C)c2nncn2C)CC1 46964396 QQPJEDBNDBBUDB-OAHLLOKOSA-N 342.447 1.712 0 40 EDAB O=C(NCCc1ccccc1F)N1CCN(c2ncccn2)CC1 12897153 PORCXCQFVKBLFE-UHFFFAOYSA-N 329.379 1.690 0 40 EDAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccon2)nc1 96006655 SMHHQEHZHLTFLW-UHFFFAOYSA-N 338.389 1.328 0 40 EDAB C[C@@H]1CN(C(=O)CN2C(=O)CCCc3sccc32)C[C@H]1N(C)C 84714283 WTEWGLNPQJMSIL-TZMCWYRMSA-N 335.473 1.826 0 40 EDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 84736501 AFJCVANIRHWGDO-HUUCEWRRSA-N 336.457 1.678 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N[C@H]3CCSC3=O)CC2=O)cc1 5060858 RIIUVDSZFGQUCH-MFKMUULPSA-N 334.397 1.196 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCCC1 9226269 OPVBBEWMSUQXNE-SNVBAGLBSA-N 346.836 1.638 0 40 EDAB CCOC(=O)N1CCN(C(=O)CN[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 6206302 ACSDTSCICXPGQF-QLFBSQMISA-N 325.453 1.701 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H](OC[C@H]2CCCO2)C(C)C)c(=O)[nH]1 65494698 OJTZRTAFQYTHAH-GDBMZVCRSA-N 336.432 1.828 0 40 EDAB NC(=O)CN(C1CCCC1)S(=O)(=O)c1cnn(-c2ccccc2)c1 65489565 PRHTTWDFBNYAHC-UHFFFAOYSA-N 348.428 1.291 0 40 EDAB CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1cccc(F)c1 65553837 AZTKHPCNVAHYSQ-ZWNOBZJWSA-N 346.449 1.804 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCC(=O)OC(C)C)c(C)c1 65576804 NVMSKOVEGYNCCB-UHFFFAOYSA-N 329.374 1.012 0 40 EDAB O=C([C@H](Sc1nnnn1C1CC1)c1ccccc1)N1CCOCC1 14129278 GLAGVCUXVUMZRK-CQSZACIVSA-N 345.428 1.700 0 40 EDAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)CCNS(C)(=O)=O 65613313 UCXTVOOJOBWQNS-CYBMUJFWSA-N 334.441 1.826 0 40 EDAB O=C(N[C@H]1CCN(c2ccccn2)C1)N(CCO)Cc1ccccc1 95435558 DZMKASNRPKRWOM-KRWDZBQOSA-N 340.427 1.864 0 40 EDAB COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3ccnn3C)C2=O)c1 93840866 YLFJGKFOBMRILC-QGZVFWFLSA-N 344.415 1.675 0 40 EDAB CCc1nnc(NC(=O)[C@H](C)Sc2nc(OC)cc(=O)[nH]2)s1 4999482 DBYASVDFISVNML-LURJTMIESA-N 341.418 1.312 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCC(C)C)c(C)c1 408624641 QZESZFOEGHAVTE-UHFFFAOYSA-N 342.461 1.834 0 40 EDAB CCn1c(SCC(=O)NC(=O)NC)nnc1-c1ccccc1C 7044111 FSISUFXZWDFJCY-UHFFFAOYSA-N 333.417 1.821 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1csc(NC2CC2)n1 95472186 GBEOGLMRGPGLNU-UHFFFAOYSA-N 328.401 1.733 0 40 EDAB Cc1[nH]c(SCC(=O)NCC(=O)N(C)C)nc1Cc1ccccc1 7246617 CRUYTAWOFOGVKF-UHFFFAOYSA-N 346.456 1.605 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 7325552 FGJPECPZUBSEGX-UHFFFAOYSA-N 335.385 1.984 0 40 EDAB COC(=O)Cn1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)n1 67899379 NDFDLMZHFWWTEV-UHFFFAOYSA-N 349.290 1.274 0 40 EDAB CC[C@@H](NS(=O)(=O)c1cnn(C)c1)[C@H](O)c1ccccc1F 95433318 FUXITPBNJKBIOD-ZIAGYGMSSA-N 327.381 1.350 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@H](C)c1ccco1)C2=O 7801582 AOGCGCSGSNDMNT-VMBJYNEYSA-N 348.403 1.462 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)CN2CCCC2=O)c(OC)c1 71846894 JADJSIAEJRWQMM-OAHLLOKOSA-N 332.400 1.990 0 40 EDAB CCCCn1nnnc1CN(C)[C@H]1CCCN(Cc2noc(C)n2)C1 71870496 HROAXNHWLBRXBM-AWEZNQCLSA-N 348.455 1.261 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cc(C)nc3onc(C)c23)CC1 71880976 ZHFRKERTLWYDHK-CYBMUJFWSA-N 332.404 1.368 0 40 EDAB C[C@H]1CN(C(=O)CCn2cc(Br)ccc2=O)[C@@H](C)CO1 70040659 UQVJMNKBQYCGGG-QWRGUYRKSA-N 343.221 1.637 0 40 EDAB O=C(NCCCc1nc(-c2ccc(F)cc2)no1)N1CCC[C@H]1CO 96502562 PCLRXSOOWDLAMT-AWEZNQCLSA-N 348.378 1.975 0 40 EDAB CCn1cnnc1CNS(=O)(=O)N1CCC[C@H]1c1ccc(C)o1 83843669 VOXHNADBGXSOCZ-LBPRGKRZSA-N 339.421 1.371 0 40 EDAB COc1ccc(OC)c(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c1 71914453 VRLKZVRKSPUYSD-CQSZACIVSA-N 348.443 1.935 0 40 EDAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCCC[C@@H]1C(N)=O 9640583 UPQUDMHUYQZXCS-CYBMUJFWSA-N 347.806 1.709 0 40 EDAB Cc1ccc(F)c2c1N(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2 69589448 GIYUVWUMARMHEA-GFCCVEGCSA-N 340.420 1.190 0 40 EDAB CC1(C)C(=O)NCCN1S(=O)(=O)c1cccc(Br)c1 69669967 INOYZFSBFUGVCO-UHFFFAOYSA-N 347.234 1.348 0 40 EDAB CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 17636063 VZMKNWPPKSWVIB-ZDUSSCGKSA-N 339.413 1.352 0 40 EDAB O=C1NC[C@H]2CN(Cc3cnc(-c4cccs4)s3)CCN2C1=O 91866575 FOFICPBAQVAEIW-JTQLQIEISA-N 348.453 1.014 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nccn2ccnc12 69744899 RLUBDBOAULXTTM-UHFFFAOYSA-N 330.369 1.775 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)c1nnn(-c2ccccc2Cl)c1C)C(N)=O 69817313 MQPUQMWDHLWEPD-RNCFNFMXSA-N 349.822 1.859 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)COCC(F)(F)F)CC1 69929183 IWLPBNAVIWBEQP-LLVKDONJSA-N 326.359 1.117 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cnn(C)c2)c1C 8706082 MHRSIIDLMPOPHW-NSHDSACASA-N 347.371 1.970 0 40 EDAB CCOC(=O)N1CCN(C(=O)NCc2ccc(C(=O)OC)cc2)CC1 8705356 MQVPXEARJBHMDJ-UHFFFAOYSA-N 349.387 1.457 0 40 EDAB CC1(c2ccccc2)CCN(C(=O)[C@H](N)CCS(C)(=O)=O)CC1 95996370 CURIBOQVDAKVMZ-OAHLLOKOSA-N 338.473 1.329 0 40 EDAB Cc1noc(Cl)c1CCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269006 RLYRJWAPGWSZJQ-ZIAGYGMSSA-N 341.839 1.627 0 40 EDAB COCc1cccc(CN2C(=O)C[C@@H](C(=O)O)[C@@H]2c2cnn(C)c2)c1 72275756 ULAHIGLXQTXCNS-WBVHZDCISA-N 343.383 1.741 0 40 EDAB CN1CCC[C@@H](CNC(=O)CCCn2nnc(-c3ccccc3)n2)C1 72273293 ICAZRRYNQPMFDX-HNNXBMFYSA-N 342.447 1.578 0 40 EDAB Cn1cc(N2CCN(c3nc4ccccc4cc3CO)CC2=O)cn1 98018818 NZJXSCKJYMSDJJ-UHFFFAOYSA-N 337.383 1.314 0 40 EDAB Cn1cc(C2CCN(CC(=O)Nc3sccc3C(N)=O)CC2)cn1 97202894 YRAGGPNDULWYOU-UHFFFAOYSA-N 347.444 1.399 0 40 EDAB Cn1c(Cl)cnc1CN1CCc2ncnc(N3CCOCC3)c2C1 97201929 DGBMOGBHERQKLO-UHFFFAOYSA-N 348.838 1.258 0 40 EDAB COc1ncnc2c1CN(CCS(=O)(=O)c1ccccc1)CC2 97202260 TYDONWRKSFNPOJ-UHFFFAOYSA-N 333.413 1.317 0 40 EDAB CN1C(=O)CN(C(=O)Cn2cnc3ccccc3c2=O)c2ccccc21 75093519 WRXMCTSUMZRGAV-UHFFFAOYSA-N 348.362 1.406 0 40 EDAB CC(=O)N[C@@H]1CCCN(c2ccc(-c3nc(C)cc(=O)[nH]3)cn2)C1 89568363 IOHIVSQOZWOJIO-CQSZACIVSA-N 327.388 1.245 0 40 EDAB CC1CCC(N2C[C@@H](C(=O)NCC3(O)CCOCC3)CC2=O)CC1 75228813 BEXUIEGYPFXVJD-SLTAFYQDSA-N 338.448 1.071 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(OC(C)C)nc2)C1 89890864 REURZTKFBLOQIF-OAHLLOKOSA-N 334.420 1.679 0 40 EDAB CCc1nc(CCNC(=O)NC[C@H](O)c2cnn(C)c2)sc1C 76086597 BBXWBDWSMUAIOU-ZDUSSCGKSA-N 337.449 1.323 0 40 EDAB O=C(NC[C@]1(OCCO)CCOC1)Nc1cccc(C(F)(F)F)c1 665129541 BNQQVTIUBAFMFE-CQSZACIVSA-N 348.321 1.995 0 40 EDAB COC(=O)CN(C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(C)C 32925672 VVQUMIBLBQFPAN-ZDUSSCGKSA-N 348.399 1.458 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 4476011 IEMDPPNEUUFQGC-CABCVRRESA-N 344.436 1.965 0 40 EDAB biogenic CC[C@@H](O)CN1CCN(C(=O)c2ccc(-n3cc(C)cn3)cc2)CC1 71881808 JLOCSGIOXJANGS-GOSISDBHSA-N 342.443 1.709 0 40 EDAB COCCC(=O)N1CCC[C@@H]1c1cc(N2CCN(C)CC2)cc(C)n1 72370955 GNLRQLXRRMIVRZ-GOSISDBHSA-N 346.475 1.842 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCCCC1 72522873 NQJHYHQYGDVXCZ-GFCCVEGCSA-N 328.409 1.895 0 40 EDAB CC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)COC 217529323 KIYIMOGBROJIAI-QWRGUYRKSA-N 344.433 1.908 0 40 EDAB CCN1CCC[C@H]1CNC(=O)c1cc(C)nc(C2CCN(C)CC2)n1 72369313 WUCXPCKDQGLVOS-INIZCTEOSA-N 345.491 1.808 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1nc2ccccc2o1 72244852 HZYGBAAUJXCACD-ZYHUDNBSSA-N 337.401 1.429 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)ncc1C(N)=O 72345423 SRYONOLLXCKLGT-HNNXBMFYSA-N 342.374 1.929 0 40 EDAB Cc1ccc(NC(=O)C(=O)NCCc2nc(C(C)C)no2)cc1F 77842530 OWGCNDDXXSQOGY-UHFFFAOYSA-N 334.351 1.938 0 40 EDAB O=C(NCc1cccs1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217737058 IMFOJNFLGHMPGI-KBPBESRZSA-N 345.424 1.593 0 40 EDAB COc1cc(OC)nc(N2CCN(CCc3ccccc3)CC2)n1 448163054 DVBFNFHCFGKNLR-UHFFFAOYSA-N 328.416 1.859 0 40 EDAB COc1ccccc1C(=O)NCc1nccc(N2CCOCC2)n1 211096251 NUMLOAITACWJOR-UHFFFAOYSA-N 328.372 1.252 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218050073 CMBXNNHKDHTMJE-JFIYKMOQSA-N 346.404 1.998 0 40 EDAB C[C@@H](NC(=O)C1(O)Cc2ccccc2C1)c1nnnn1-c1ccccc1 74678627 PBVMUKVFDBIPII-CYBMUJFWSA-N 349.394 1.369 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)N1CCCN(c2ncccn2)CC1 79000205 XTSUSECNJAYMJN-UHFFFAOYSA-N 335.408 1.040 0 40 EDAB CNCCc1ccccc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 567739642 ZHIIGPCZCBUQRV-OAHLLOKOSA-N 327.432 1.592 0 40 EDAB CCN1CC[C@H]2OCCN(C(=O)c3ccccc3-n3cccn3)[C@H]2C1 571949077 UGLMWNGVHVLPRO-ZWKOTPCHSA-N 340.427 1.808 0 40 EDAB CCN(CC(=O)NCC(C)(C)C)S(=O)(=O)c1ccc(F)cc1 226060074 GRKURGKKXLXIRQ-UHFFFAOYSA-N 330.425 1.999 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 83613220 JQWJCPGCFGVNIH-CHWSQXEVSA-N 330.837 1.642 0 40 EDAB COC(=O)[C@H]1C[C@H](O)[C@@H](N2CCC(N(C)c3ccccc3)CC2)C1 195535714 MWXZCIWSPROVKE-JLSDUUJJSA-N 332.444 1.900 0 40 EDAB CN1C[C@@H]2CN(S(=O)(=O)CCCF)C[C@@H]2[C@@H]1c1ccccc1 95408812 MQGQUROSAUNAOO-PMPSAXMXSA-N 326.437 1.911 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)no1 97953324 JLSMHNPNKFAUDM-FVQBIDKESA-N 335.404 1.231 0 40 EDAB O=c1cc(Cn2ccnc2)nc2n1CCCN(Cc1ccncc1)C2 96059604 HOMSRYJCWOSCJR-UHFFFAOYSA-N 336.399 1.289 0 40 EDAB O=c1n(Cc2cn3cc(Br)ccc3n2)nc2ccccn12 95448530 FLBUTAXAPXUPMC-UHFFFAOYSA-N 344.172 1.955 0 40 EDAB CNC(=O)C1CCN(C(=O)CN[C@H](C)c2cccc(Cl)c2)CC1 95984182 NZKICAPAWFEQBC-GFCCVEGCSA-N 337.851 1.975 0 40 EDAB O=S(=O)(NC[C@H]1COCc2nc3cccnc3n21)c1ccccc1 96112565 FIUIFQZXEXQCPB-LBPRGKRZSA-N 344.396 1.481 0 40 EDAB biogenic,in-vitro CO[C@H]1C[C@@H](C(=O)NCc2ccnc(OC3CCCC3)c2)N(C)C1 583617323 LZJDPNNRTHUKII-HOTGVXAUSA-N 333.432 1.738 0 40 EDAB CC[C@@H]1CCCC[C@@H]1CN1CCN(CC(=O)NCCOC)CC1 583650799 BJDQBFNEXNARJD-IAGOWNOFSA-N 325.497 1.583 0 40 EDAB Cc1[nH]c2ccccc2c1CCNC(=O)CSc1nnnn1C 91043691 YZXIJQDECYAUBW-UHFFFAOYSA-N 330.417 1.451 0 40 EDAB Cc1ccc(Oc2ccccc2CNC(=O)CNS(C)(=O)=O)cc1 69897981 ILTAGERCOHURPY-UHFFFAOYSA-N 348.424 1.953 0 40 EDAB Cc1occc1C(=O)N1CCC2(CC1)C[C@@H](NC(=O)N(C)C)CO2 96220710 RPUUBBYPFAQODS-CYBMUJFWSA-N 335.404 1.623 0 40 EDAB O=C(C[C@@H]1COC2(CCN(c3ncccn3)CC2)C1)N1CCCC1 96221965 HATHXDYBTIOPNL-HNNXBMFYSA-N 330.432 1.865 0 40 EDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccsc2)C1)N1CCCC1 96057614 ORAFTVRXGXBDJM-RRFJBIMHSA-N 334.441 1.990 0 40 EDAB COC(=O)c1ncn(C[C@@H](O)Cc2ccccc2C(F)(F)F)n1 95438910 RMGZWUFIKBDXCW-JTQLQIEISA-N 329.278 1.687 0 40 EDAB c1cc(N2CC[C@]3(COCc4cnc(NCC5CC5)nc43)C2)ncn1 96244104 JWXOKNFVHDJQRE-GOSISDBHSA-N 338.415 1.767 0 40 EDAB Cc1occc1C(=O)N1CCC2(CC1)NC(=O)C[C@@H]2c1cnn(C)c1 96199788 XQXOLRMYNINNEC-OAHLLOKOSA-N 342.399 1.600 0 40 EDAB Cn1cc(CN2CC[C@]3(CCCN(C(=O)c4cnccn4)C3)C2)cn1 96158186 GSTOKQKBFMGZCR-GOSISDBHSA-N 340.431 1.338 0 40 EDAB CCOC(=O)[C@@H](NC(=O)c1cccc(OC)c1)[C@@H](O)c1ccncc1 585128895 QFVKOGCNANBIFC-HOTGVXAUSA-N 344.367 1.485 0 40 EDAB CCOc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]2[C@@]2(C3)NC(=O)NC2=O)cc1 585122400 ZNJHWPPCLRJWMK-CBDOYQQHSA-N 343.383 1.648 0 40 EDAB CC[C@H]1C(=O)NCCN1Cc1c(Br)cncc1OC 585117591 MCCQKNDMIBQANT-NSHDSACASA-N 328.210 1.563 0 40 EDAB C[C@@H](CC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)N1CCCC1=O 585121219 ITHMGORVMHCLJQ-DZGCQCFKSA-N 335.448 1.152 0 40 EDAB CN1CCN(CC2CCN(C(=O)N[C@@H]3[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)CC2)CC1 249395859 ZTROTGHZLMSJHR-LTFXXXRZSA-N 346.519 1.700 0 40 EDAB CCCc1cc(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)no1 257275561 NPWZZIKDGDHEEK-GOSISDBHSA-N 344.415 1.736 0 40 EDAB CCCn1cc(CN2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)cn1 257224930 FDZZFECISDJBBH-INIZCTEOSA-N 332.452 1.651 0 40 EDAB COc1ccc(F)cc1CN1CCN(c2ccc3nncn3n2)CC1 69875770 YMMJLBXTHXDBDY-UHFFFAOYSA-N 342.378 1.594 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCN(C)[C@@H](c3ccccc3)C2)c1C 257256145 KKGIEFTWRBPOPO-MRXNPFEDSA-N 348.472 1.889 0 40 EDAB Cc1nc(C)c(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)s1 257250013 JKQGLPHDEJXHMM-QGZVFWFLSA-N 346.456 1.868 0 40 EDAB COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2ccn(C)n2)cc1 257265922 MAWWAMDFBXBJBN-SFHVURJKSA-N 328.416 1.834 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cccnc3C)CC2)C[C@]1(C)CO 257213531 CHYRADNUIAMEIS-GOSISDBHSA-N 345.443 1.616 0 40 EDAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)Cn2cccn2)nc1 257278866 ODYURWPBGMQHON-MRXNPFEDSA-N 327.388 1.278 0 40 EDAB C[C@@]1(O)CN(Cc2nccs2)CC[C@H]1n1cnc2c(N)ncnc21 257253478 JZBPNGIOIKSCCK-MEBBXXQBSA-N 345.432 1.063 0 40 EDAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)C(C)C)Oc2ccccc21 260890302 BQSBWSTVAALJIN-IUODEOHRSA-N 340.445 1.764 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)n2cnnn2)c(OC)c1 1614476545 ONDRPSAJHMUEKK-RISCZKNCSA-N 331.376 1.615 0 40 EDAB Nc1ccn2ncc(C(=O)N3CC[C@H](C(F)(F)F)[C@H](N)C3)c2c1 1615547622 OZGNWEILFAWMAP-WDEREUQCSA-N 327.310 1.268 0 40 EDAB CC[C@@H]1CN(c2nnnn2Cc2ccn(C(C)C)n2)C[C@@H](CC)O1 1616033052 ZEKZUIGXBUCKPI-HUUCEWRRSA-N 333.440 1.893 0 40 EDAB CCc1cc(N2C[C@@H](OC)C[C@H]2C(N)=O)nnc1-c1ccccc1 572423709 IMMOYGVYTZANIG-GJZGRUSLSA-N 326.400 1.785 0 40 EDAB CNC(=O)CC[C@]1(O)CCCN(CC(=O)N(C)C2CCCCC2)C1 585278065 LMKOXNRFVQPKEN-GOSISDBHSA-N 339.480 1.131 0 40 EDAB Cc1nn(C)cc1C(=O)N[C@H](Cc1ccccc1)c1nc(O)n[nH]1 585134048 BIENDNJLYAQXIE-CYBMUJFWSA-N 326.360 1.266 0 40 EDAB Cc1cccc(OC[C@@]2(O)COCCN(C(=O)c3conc3C)C2)c1 585279311 XUSAZWDSDFDXKA-SFHVURJKSA-N 346.383 1.574 0 40 EDAB Cc1cnn(CC(=O)N2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)c1 585278376 ROYXQEDTNXGLML-NVXWUHKLSA-N 331.391 1.783 0 40 EDAB CC1(C)C[C@]2(CCCN2C(=O)Cc2cccnc2)[C@H](CC(N)=O)O1 585287684 APFVWTZHFBCWFI-KBXCAEBGSA-N 331.416 1.428 0 40 EDAB Cc1noc(CC(=O)N2CCC3(CC[C@@H](c4nc(C)no4)O3)CC2)n1 585113416 CEECFCXYJVYGEV-LBPRGKRZSA-N 347.375 1.525 0 40 EDAB CC1(C)CO[C@H](c2ccccc2)CN1S(=O)(=O)N1CCOCC1 66937403 ZAPVJORONMBPNV-HNNXBMFYSA-N 340.445 1.416 0 40 EDAB COC(=O)CCNC(=O)c1csc(I)c1 69971587 YXXLSVLDZCFJTB-UHFFFAOYSA-N 339.154 1.646 0 40 EDAB COc1cccc(CC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)c1 47635273 DYSGDIZWUYNTSA-FUHWJXTLSA-N 348.443 1.091 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCO[C@@H]4CCC[C@H]43)cnc12 56194013 UYAPHZSERKUFEX-HUUCEWRRSA-N 327.384 1.485 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@](C)(O)CCSC)c(C)c1 75157570 FKPSNBTYLNLZNC-AWEZNQCLSA-N 333.475 1.786 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C[C@H](C)O1 75125794 CSIORFHYQJKXNA-STQMWFEESA-N 345.399 1.474 0 40 EDAB O=C1CN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)CCN1 40540122 JRDJQBXUMHOCGM-UHFFFAOYSA-N 337.685 1.248 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)c3cccnc3OCC(C)C)CCO2)n1 76045424 HVHXNVAZWACCIY-AWEZNQCLSA-N 345.403 1.757 0 40 EDAB CS[C@@H]1CN([C@H](C)C(=O)NCCc2cccs2)C[C@@H]1N(C)C 95446850 XAAGIASPXRRHBJ-VHDGCEQUSA-N 341.546 1.773 0 40 EDAB C/C(NC[C@@H]1CCCO1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 5818349 IBWNRWSQAOQOBO-YEQVNJDRSA-N 343.383 1.620 0 40 EDAB Cc1cc(C)c(S(=O)(=O)Nc2c(C)nc3ncnn3c2O)c(C)c1 5985559 BGKISVGYIKTPQY-UHFFFAOYSA-N 347.400 1.864 0 40 EDAB CN1C[C@@H](C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)CC1=O 12086967 XNEFYEFZTCRWQH-DZGCQCFKSA-N 344.411 1.654 0 40 EDAB COc1ccc(C(=O)O[C@H](C(=O)NC(N)=O)c2ccccc2)c(F)c1 15517198 DQDXOKVTQLQSBO-AWEZNQCLSA-N 346.314 1.927 0 40 EDAB Nn1c(-c2ccncc2)nn(CC(=O)Nc2ccccc2)c1=S 16778095 PJAHHDOSHFGZQF-UHFFFAOYSA-N 326.385 1.829 0 40 EDAB O=C(c1cccnc1)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19337325 VFNIVNPKOQUXDV-OAHLLOKOSA-N 347.378 1.857 0 40 EDAB Cn1nccc1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 225737260 PBPVOWLGPDDSPU-UHFFFAOYSA-N 340.431 1.488 0 40 EDAB CCC(CC)C(=O)N1CCN(c2ncnc3c2nnn3CC)CC1 13532974 JSUVAHPYQUKVOW-UHFFFAOYSA-N 331.424 1.326 0 40 EDAB CCc1nc(N2C[C@H]3CN(C(=O)C4CC=CC4)C[C@@H]3C2)nc(O)c1F 1888849894 HGULYFYASQWPEL-CHWSQXEVSA-N 346.406 1.745 0 40 EDAB O=S(=O)(N[C@H](Cn1nccn1)c1ccccc1)c1cccnc1 239611745 FDAMEKGKPHYHRK-OAHLLOKOSA-N 329.385 1.393 0 40 EDAB Cn1cc(CN2CC[C@]3(COCC(=O)N(c4ccccc4)C3)C2)cn1 2037978211 IRBKXMBWADTCBN-IBGZPJMESA-N 340.427 1.676 0 40 EDAB CN1C(=O)COC[C@@H]2CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]21 2037984057 OSXRSBQCULAIRU-GJZGRUSLSA-N 332.400 1.137 0 40 EDAB CS(=O)(=O)N1C[C@@H]2CCN(C(=O)/C=C/c3cccs3)[C@@H]2C1 1565551637 UHLXEZBXLQQPNS-SOHMCZBRSA-N 326.443 1.254 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)NC3=NC(=O)CS3)ccc12 48443 NPCFJHDBUBROFL-UHFFFAOYSA-N 332.337 1.226 0 40 EDAB CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1cc(C)ccc1C 4107541 LMOOORKAAOCBSC-CYBMUJFWSA-N 326.418 1.181 0 40 EDAB COC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 26455740 FKFIUEJKWXHBEW-MRXNPFEDSA-N 345.399 1.572 0 40 EDAB O=C(Cn1cnc2ccccc21)NCc1cn(-c2cccs2)nn1 575617545 ULBIRULFNVTUNZ-UHFFFAOYSA-N 338.396 1.995 0 40 EDAB Cc1nccc(O[C@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)n1 585147078 DBDKCAGLTFRZQE-AWEZNQCLSA-N 337.383 1.815 0 40 EDAB Cc1cc(N(C)C)ccc1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102792261 ZEWLPBOVNNHUOJ-HUUCEWRRSA-N 341.411 1.951 0 40 EDAB CCOc1ncccc1C(=O)NCc1cccnc1N1CCOCC1 30310564 VACQAJWJLBCCDD-UHFFFAOYSA-N 342.399 1.642 0 40 EDAB O=C1C[C@@H](c2ccc(S(=O)(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)cc2)CN1 100208728 HZIHGWZABYTZLM-ARLBYUKCSA-N 346.452 1.781 0 40 EDAB C[C@H]1CN(CCNC(=O)c2ccc(-n3cncn3)cc2)C[C@H](C)O1 40489257 PJRKMVRRSKFFTI-KBPBESRZSA-N 329.404 1.106 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NCCCn3ccnc3)CC2=O)cc1 40496956 HXLNHLQSZWKONE-AWEZNQCLSA-N 342.399 1.451 0 40 EDAB CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1nccnc1N 40464865 VOENOKVHEWGDQN-UHFFFAOYSA-N 332.335 1.403 0 40 EDAB CCOC(=O)N1CCN(CC(=O)N2CCc3ccccc3C2)CC1 40460792 UBUUCRMWAXPZFR-UHFFFAOYSA-N 331.416 1.345 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)CCO3)cn1C 31668682 RWKLLWAKERWFLU-UHFFFAOYSA-N 335.385 1.120 0 40 EDAB Cn1ncc(S(=O)(=O)Cc2ccccc2)c(Br)c1=O 153084 ICJYBAMRYLSLQT-UHFFFAOYSA-N 343.202 1.517 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)c3cc(C)no3)cn2)CC1 40541125 CWAVELAKLWBNRR-UHFFFAOYSA-N 329.404 1.450 0 40 EDAB CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1cnn(C)c1 40556110 QKXAPNBBAUPYSH-UHFFFAOYSA-N 327.387 1.641 0 40 EDAB Cc1ccc(NC(=O)CSc2ccncc2)cc1S(N)(=O)=O 32526411 CRQPRKUJLFAJQZ-UHFFFAOYSA-N 337.426 1.768 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 32682848 ZQBBCYKVYRWSQS-CABCVRRESA-N 348.447 1.714 0 40 EDAB O=C(C1CCN(Cc2cc(=O)n3ccccc3n2)CC1)N1CCCC1 53846391 BBNSVYKEIWGLLY-UHFFFAOYSA-N 340.427 1.529 0 40 EDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OC)c(OC)c1 66919 XEYBAFGGMXOYQC-CQSZACIVSA-N 345.359 1.542 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@@H](c2ccccc2Cl)N1 12345539 XIQAYEHIMANYLW-MEBBXXQBSA-N 347.802 1.969 0 40 EDAB O=C(Nc1ccc(F)c(Br)c1)N1CCO[C@H](CO)C1 78632268 FLDMUXGIEQTHCZ-VIFPVBQESA-N 333.157 1.813 0 40 EDAB CCS(=O)(=O)NCCSc1ncccc1Br 78818330 AKJOFSUIUYMMCB-UHFFFAOYSA-N 325.253 1.876 0 40 EDAB CN1CC(=O)N(CC(=O)N2CCCCC[C@@H]2c2ccncc2)C1=O 78932587 SWZHRGJDFTZNPS-CQSZACIVSA-N 330.388 1.419 0 40 EDAB NS(=O)(=O)c1cccnc1NCCCCCN1CCCCC1 79037801 AYOUIACHCRIDRP-UHFFFAOYSA-N 326.466 1.797 0 40 EDAB NC(=O)NCc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1 23481708 RPDXOWIVAJMDEA-UHFFFAOYSA-N 341.367 1.556 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 42565593 IKALOVDRBINJKN-DOTOQJQBSA-N 347.459 1.279 0 40 EDAB Cc1noc([C@H](C)NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)n1 79822950 ZTONFOZQTKQOSS-VHSXEESVSA-N 327.348 1.470 0 40 EDAB CCN(CC(=O)Nc1ccc(OC)cc1)c1ncnc2c1cnn2C 54844649 WSFIRBWGLSMCQZ-UHFFFAOYSA-N 340.387 1.837 0 40 EDAB NC(=O)C1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 54858355 FHUMEVZLPXDOQL-UHFFFAOYSA-N 332.791 1.863 0 40 EDAB CN(C)C(=O)c1ccc(CN2CCC[C@@H](Cc3nccn3C)C2)[nH]1 97139222 GFOFFJVCUNJJEM-AWEZNQCLSA-N 329.448 1.905 0 40 EDAB O=C(c1ccoc1)N1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1 25239922 YQWWWXJCTSGKBK-UHFFFAOYSA-N 340.339 1.861 0 40 EDAB CN(C[C@@H]1CCCN1c1cccnn1)[C@@H](C(N)=O)c1ccccc1 106906428 RQDLJXDKQHUHEZ-DOTOQJQBSA-N 325.416 1.604 0 40 EDAB Cc1ccc([C@@H](CNC(=O)c2ccc(=O)[nH]c2)N2CCOCC2)cc1 55808163 IXIVUAPXHHNWCV-QGZVFWFLSA-N 341.411 1.487 0 40 EDAB CN(C)C(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1 1401292 HDKIMEKXWLZXJP-UHFFFAOYSA-N 331.806 1.726 0 40 EDAB O=C([C@@H]1CCC[C@]12CCN(Cc1ccncc1)C2)N1CCOCC1 108526282 HZNYWWJHQOOTIH-PKOBYXMFSA-N 329.444 1.933 0 40 EDAB CCc1nsc(N2CCCN([C@H](C)C(=O)NC(C)(C)C)CC2)n1 107064829 HKPOSIABWUSPLH-GFCCVEGCSA-N 339.509 1.916 0 40 EDAB Cn1c(=O)c2[nH]c(Sc3ccc4ccccc4n3)nc2n(C)c1=O 100986706 MLMMEZWALLLMQE-UHFFFAOYSA-N 339.380 1.660 0 40 EDAB C[C@@H](CNC(=O)Nc1ccn(-c2ccccc2)n1)N1CCOCC1 43621381 MXMDIIDTQZFSDB-AWEZNQCLSA-N 329.404 1.715 0 40 EDAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)CCn2cncn2)c1 25612380 FYZSJHRCDZWXAE-UHFFFAOYSA-N 342.403 1.396 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCc2cccc(OC[C@H]3CCCO3)c2)C1 56422396 UZGBOVCKLJZWJV-GDBMZVCRSA-N 347.415 1.261 0 40 EDAB CCOc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)N(C)C 12689742 FFRHIEYKXVPIOF-UHFFFAOYSA-N 349.412 1.983 0 40 EDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCCC(=O)O)c1 10024577 LSJLCQIHWTXFGZ-UHFFFAOYSA-N 342.417 1.312 0 40 EDAB CCCCn1nc(C)c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1Cl 44720525 XIFONSIBVXBJCT-NSHDSACASA-N 347.868 1.810 0 40 EDAB O=C(NCCCNc1ccccn1)N[C@@H]1c2ccccc2C[C@@H]1O 48278585 DMBAEJKVPYOTMA-DOTOQJQBSA-N 326.400 1.841 0 40 EDAB Cn1ccnc1[C@@](O)(CC(=O)NCCc1ccccc1)C(F)(F)F 44895996 VMJWWRCWKHEUKW-HNNXBMFYSA-N 341.333 1.919 0 40 EDAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc(F)c2)n1 102015441 LDBBFCAQELALIQ-SDADXPQNSA-N 341.342 1.737 0 40 EDAB CN(C)CCCNc1c(NCCc2c[nH]c3ccccc23)c(=O)c1=O 100794077 HXUNIMRLKGVWJX-UHFFFAOYSA-N 340.427 1.782 0 40 EDAB biogenic O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccnc(-n2ccnc2)c1 58329636 JXSVLAXZKUVGHS-HNNXBMFYSA-N 347.378 1.803 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(=O)[nH]c2ccccc12 58370514 VXDQTZUYRFRBKT-OLZOCXBDSA-N 327.384 1.121 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1cccnc1-n1cccn1 58421534 DPCYMTMZBMZAFD-UHFFFAOYSA-N 325.420 1.665 0 40 EDAB Cc1cc(C)n(CC(=O)N[C@H](C)c2cc(O)n3nc(C)cc3n2)n1 100217836 VAIJCYGPYSMOHI-GFCCVEGCSA-N 328.376 1.434 0 40 EDAB O=C(O)CCCCCNC(=O)CCn1cnc2ccccc2c1=O 2359886 USEAQYBCGGWKJZ-UHFFFAOYSA-N 331.372 1.548 0 40 EDAB O=C1C[C@@H](N2CCOCC2)C(=O)N1c1cccc(Cl)c1Cl 101274620 RWXPGGCHOJQRRJ-LLVKDONJSA-N 329.183 1.958 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 36532524 QKFOEFYDUDKSJM-UHFFFAOYSA-N 333.432 1.856 0 40 EDAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-n2ccnc2)cc1 10355835 JCGYONBEVVXHNQ-CQSZACIVSA-N 328.397 1.838 0 40 EDAB CN(CCCNC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1 36717777 UNYSVPIDFBDZBD-UHFFFAOYSA-N 344.440 1.605 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)CN(C)S(C)(=O)=O)cc1 46148588 FKCHDPMKNZKHLT-AWEZNQCLSA-N 326.418 1.250 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)OCc1nnsc1Cl 21667476 RTGBDXUASSDAFT-UHFFFAOYSA-N 336.760 1.645 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N1CCN(c2ccccc2O)CC1 47028607 GUMRZPPMLBITSH-CQSZACIVSA-N 329.404 1.509 0 40 EDAB Cc1cccc(-n2nnnc2SCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 3412681 RTPMGECUGKUQHN-STQMWFEESA-N 347.444 1.699 0 40 EDAB CC(=O)N1CCC(NC(=O)CN[C@@H](C)[C@H](C)c2ccccc2)CC1 97234902 WHLYBNRQMHOZHD-GJZGRUSLSA-N 331.460 1.895 0 40 EDAB O=C(CN1CCn2ccnc2C1)N1CCN(c2ccc(F)cc2)CC1 97201114 DEPAZRMIHUKIIO-UHFFFAOYSA-N 343.406 1.187 0 40 EDAB C[C@H](Sc1ccccc1C(=O)O)C(=O)N[C@@H]1CCS(=O)(=O)C1 12937224 HEKLFGLRCWOSFL-VHSXEESVSA-N 343.426 1.169 0 40 EDAB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cccn2C)C1=O 409107982 USVNRGQZZTUEPP-GDNBJRDFSA-N 338.367 1.865 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(NC(=O)c3ccc(C)o3)CC2)cc1 97374396 IHCQNYLKNHIFEF-HNNXBMFYSA-N 433.530 1.850 0 40 EDAB Nc1nnc(Sc2ccc(Nc3cc(=O)[nH]c(=O)[nH]3)cc2)s1 4063870 OWLPSPDOUSIXDJ-UHFFFAOYSA-N 334.386 1.392 0 40 EDAB COCCCN(Cc1cccc(Cl)n1)[C@H]1CCS(=O)(=O)C1 72629370 WCZUQSDBPVOIHG-ZDUSSCGKSA-N 332.853 1.761 0 40 EDAB CC(=O)N1c2ccc(S(=O)(=O)NCc3ccc[nH]3)cc2C[C@@H]1C 72713606 IVLMNNATGPDTDZ-NSHDSACASA-N 333.413 1.791 0 40 EDAB CN(C)c1ncccc1NC(=O)CCS(=O)(=O)C1CCCC1 49727809 KIWPIRXVAAJKSY-UHFFFAOYSA-N 325.434 1.834 0 40 EDAB O=C(NCCNc1cnccn1)[C@@H]1CC(=O)N(c2ccccc2F)C1 65411572 GEDGZRQGSUTQBJ-GFCCVEGCSA-N 343.362 1.197 0 40 EDAB COc1cc(CNC(=O)c2c(C)noc2C)ccc1OCC(N)=O 65521413 LWWNDMMSFZFHFZ-UHFFFAOYSA-N 333.344 1.094 0 40 EDAB COC(=O)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 65537474 ZOTBBSBLMSTOBS-PMPSAXMXSA-N 344.411 1.749 0 40 EDAB CCC(C)(C)NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 14189092 QLPWFLLHZLQNJG-NSHDSACASA-N 339.461 1.390 0 40 EDAB Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccncc1O 95409528 WKVDJJPCGOOWQA-UHFFFAOYSA-N 325.346 1.191 0 40 EDAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1nc(-c2ccccn2)cs1 6657856 NPVFJKMGPFXCRA-UHFFFAOYSA-N 343.368 1.084 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cn1 14900399 XVYKFSZGESARBL-UHFFFAOYSA-N 332.404 1.454 0 40 EDAB O=C(OCC(=O)N1CCCC1=O)c1cc(Br)ccc1O 4808016 VZTHJRWSQDLQEI-UHFFFAOYSA-N 342.145 1.461 0 40 EDAB Cc1ccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C 67556278 KUADGYIIKYTUFC-CQSZACIVSA-N 325.434 1.849 0 40 EDAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(C)cc2)c2ccccc2O1 7252859 GCHSKQDCTXKAMN-KRWDZBQOSA-N 339.395 1.947 0 40 EDAB Cc1cc(C(=O)OCCN2CCN(C(=O)C3CCC3)CC2)oc1C 95425834 ATSYQYBNZRZQJK-UHFFFAOYSA-N 334.416 1.998 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 7443427 LDBYSFKJSNFXRA-CHWSQXEVSA-N 336.436 1.250 0 40 EDAB O=S(=O)(c1ccc(Nc2ccc(F)cc2)nc1)N1CCOCC1 7737564 AAKGVDFYEDKSEG-UHFFFAOYSA-N 337.376 1.985 0 40 EDAB C[C@H](CNC(=O)c1cnn[nH]1)Oc1cccc(Br)c1 96431856 CARIUNJNGZONAK-MRVPVSSYSA-N 325.166 1.765 0 40 EDAB CCN(CC)CCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 9545045 FRZLNVMYVUHFOC-UHFFFAOYSA-N 341.477 1.399 0 40 EDAB Cc1cccc(CN2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1 69093844 NBRVFQHMRGOXFB-UHFFFAOYSA-N 334.445 1.235 0 40 EDAB O=C(Cc1n[nH]c2ccccc12)N1CCC(Nc2cccnn2)CC1 71863425 UUQSBLSFTHFLOU-UHFFFAOYSA-N 336.399 1.999 0 40 EDAB Cc1ccc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c(C)n1 71841574 JZADVGSVYZNZDT-CQSZACIVSA-N 329.375 1.912 0 40 EDAB O=C(Cc1cn2ccsc2n1)NCC1(N2CCOCC2)CCCC1 81768959 MRZLJLKKRGJRIX-UHFFFAOYSA-N 348.472 1.700 0 40 EDAB NC(=O)CNC(=O)c1ccc(OC(=O)c2cccc(Cl)c2)cc1 70007438 QDNULCCPZSXPLL-UHFFFAOYSA-N 332.743 1.774 0 40 EDAB Cc1cn2nc(N3CCO[C@H](Cn4nc(C)cc4C)C3)sc2n1 69349735 XALXUDKYMIPWEY-ZDUSSCGKSA-N 332.433 1.818 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN1CCc2c(nc(C(C)C)n2C)C1 71880900 FCDDAQFZQVSOQA-UHFFFAOYSA-N 330.436 1.880 0 40 EDAB NC(=O)[C@H](NC(=O)Cc1ccc(-n2cccn2)cc1)c1ccccc1 71851662 OPKHCBVVOKZTGG-GOSISDBHSA-N 334.379 1.758 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CN2CCN(C(=O)C(C)C)CC2)c1 69485496 UXRWMJJTYAGPBT-UHFFFAOYSA-N 346.410 1.410 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@@H](OC)c3ccccc3)CCO2)n1 83829749 QYCOLENYVRVOSO-HIFRSBDPSA-N 330.388 1.655 0 40 EDAB CON(C)C[C@@H](O)Cn1cc(NC(=O)Nc2cccc(C)c2C)cn1 71915959 ISDUFRYRKGFIQW-OAHLLOKOSA-N 347.419 1.998 0 40 EDAB O=C(CCCNS(=O)(=O)N1CCCC1)Nc1ccc(Cl)cc1 69627571 KRRZQIPTAIMAQN-UHFFFAOYSA-N 345.852 1.989 0 40 EDAB COc1cc(C(=O)NCC(=O)Nc2ccncc2)cc(OC)c1OC 17585733 NTWBWXHEDQDTDX-UHFFFAOYSA-N 345.355 1.476 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)N1CCC[C@H](N2CCCC2)C1 69741391 UKZDOPXZWMACHF-AWEZNQCLSA-N 340.468 1.781 0 40 EDAB COCCc1noc(CN[C@H]2CCCN(c3ccc(C)nn3)C2)n1 69921110 LBCVKILYXUICFY-ZDUSSCGKSA-N 332.408 1.116 0 40 EDAB C[C@H]1c2cccn2CCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 73544906 SUZDJERTFCREAG-WDEREUQCSA-N 329.322 1.802 0 40 EDAB O=C1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)CCN1 97085905 CCKLSOBZFIDBNM-LLVKDONJSA-N 332.322 1.267 0 40 EDAB C[C@@H](CO)N(C)S(=O)(=O)c1ccc(Br)cc1F 97096050 LZPDKCLWJXCPQA-ZETCQYMHSA-N 326.187 1.590 0 40 EDAB C[C@@H]1CN(CCCNc2cc(N3CCC[C@@H]3CO)ncn2)C[C@@H](C)O1 72276049 PMXVGGKJQJTLFR-BZUAXINKSA-N 349.479 1.349 0 40 EDAB Cc1ccccc1OCCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 72268922 DLSCNMBRFSVQOB-IAGOWNOFSA-N 332.444 1.822 0 40 EDAB Cn1cc(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cn1 72272588 YUKSCUACCOYCGF-UHFFFAOYSA-N 326.278 1.807 0 40 EDAB CNC(=O)c1ccc(CN(C)c2cc(N3CCC[C@@H]3CO)ncn2)o1 75128501 PXKYFROSMQEICE-GFCCVEGCSA-N 345.403 1.027 0 40 EDAB O=C(NC1CCS(=O)(=O)CC1)c1ccc(-c2ccccc2)[nH]c1=O 75119859 VUMAGGSYYDRYOS-UHFFFAOYSA-N 346.408 1.349 0 40 EDAB Cc1ncn(-c2ccc(NC(=O)[C@H]3CN4CCN3C[C@H]4C)cc2)c1C 1548707643 HGJRYXIAOHBCDR-FZKQIMNGSA-N 339.443 1.816 0 40 EDAB CN(C)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 22273451 AFCDBEXRCGPTSE-UHFFFAOYSA-N 325.217 1.848 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccn(C)n1 24472708 PEZMTNRLRVXLNF-AWEZNQCLSA-N 336.417 1.362 0 40 EDAB CC(C)(C)n1cc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cn1 548677977 VKCVXRSWXHGPBG-HNNXBMFYSA-N 339.447 2.367 0 40 EDAB CN1CCN(CCNC(=O)c2ccc(N3CCCC3)c(F)c2)CC1 78609848 ZYWNREDAZCGTCI-UHFFFAOYSA-N 334.439 1.403 0 40 EDAB Cc1c(C(=O)NCCc2cccc(F)c2)cnn1-c1ccc(O)nn1 73678978 RYMVQYHYXKXRRR-UHFFFAOYSA-N 341.346 1.788 0 40 EDAB C[C@H](NC(=O)C[C@H]1CCc2ccccc2C1)C(=O)N1CCOCC1 78986502 JPISEKGYULXOQT-GJZGRUSLSA-N 330.428 1.545 0 40 EDAB NCC(=O)N(C1CC1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79392994 OACLNGNZPIKWSX-MRXNPFEDSA-N 331.416 1.737 0 40 EDAB NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 72228511 PROGWXNCYGIIQT-UHFFFAOYSA-N 330.413 1.898 0 40 EDAB CN(C)C(=O)CN1CCCC[C@@H]1C1CCN(c2ncccn2)CC1 72368938 OYYGXWNOECCNSB-MRXNPFEDSA-N 331.464 1.636 0 40 EDAB Cc1ccccc1[C@@H](O)CNC(=O)c1cccc(S(C)(=O)=O)c1 79028406 JLVGHTIEOYXZBT-INIZCTEOSA-N 333.409 1.862 0 40 EDAB Cc1cccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NS(=O)(=O)c2ccccc2)c1 72321675 JNRXWEROSDFLDH-BRSBDYLESA-N 347.436 1.551 0 40 EDAB biogenic,in-vitro Cc1noc(-c2ccn3c(CNC(=O)C4CCOCC4)nnc3c2)n1 225745297 NGKIYWYYPXEVMU-UHFFFAOYSA-N 342.359 1.131 0 40 EDAB CCn1nc(C)cc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 226745387 GZAYXAOBAAPKCG-AWEZNQCLSA-N 326.400 1.881 0 40 EDAB O=C1CCSC[C@@H](C(=O)Nc2nc(-c3cccnc3)cs2)N1 75171007 DJHSKMDHUGTSKN-NSHDSACASA-N 334.426 1.765 0 40 EDAB O=S(=O)(NCc1ccnc(-c2ccsc2)c1)N1CCOCC1 225758659 VCBJNUVPZTUVQV-UHFFFAOYSA-N 339.442 1.477 0 40 EDAB CCn1nc(C)c(CNC(=O)[C@]2(C)Oc3ccccc3NC2=O)c1C 40776577 JZBOKFLRHXQMHQ-SFHVURJKSA-N 342.399 1.926 0 40 EDAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NC[C@@H](O)C1CCCC1 195531249 RXQSRIGKQBKSDU-RTBURBONSA-N 346.471 1.945 0 40 EDAB Cc1ccc(N2CCC[C@H](NCC(=O)N(C)Cc3ccco3)C2)nn1 69846472 XWIZYMKTIARKNR-HNNXBMFYSA-N 343.431 1.595 0 40 EDAB Cc1nn2cccnc2c1C(=O)NCCCNC(=O)OC(C)(C)C 69872568 HHTBZLWETDXUGL-UHFFFAOYSA-N 333.392 1.682 0 40 EDAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1ccsc1=O 193324157 WAEPHFXJIIGDAJ-CYBMUJFWSA-N 332.381 1.036 0 40 EDAB COc1ccc(O[C@H]2CCN(C(=O)Cc3ccccc3F)C2)nn1 225438154 RFIZECJKOFZJSH-ZDUSSCGKSA-N 331.347 1.847 0 40 EDAB Cc1nc(CN2CCN(c3nccc(N4CCCC4)n3)CC2)no1 78251701 ZVAITZROUJJPNS-UHFFFAOYSA-N 329.408 1.090 0 40 EDAB Cc1nc(NC(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)sc1C 85473784 PWAJSMRFHOBEKX-JTQLQIEISA-N 336.442 1.986 0 40 EDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)nn1 225444785 WUOVTEBLOCVOHE-OAHLLOKOSA-N 344.390 1.904 0 40 EDAB Cc1ccc([C@@H]2[C@H](C(=O)NC[C@@H]3CCCO3)OCC(=O)N2C)cc1 96181513 QGRGYXDGDLDYJY-USXIJHARSA-N 332.400 1.189 0 40 EDAB O=C(NCC[S@@](=O)c1ccccc1)NC[C@@H](O)c1ccsc1 96417780 SWJSFMAMWQWGGB-PEBXRYMYSA-N 338.454 1.889 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CO[C@H]3CNc3ncccn3)C2)no1 96185385 CJJJZLMMPUUUDE-NFAWXSAZSA-N 343.387 1.362 0 40 EDAB CCC(CC)NC(=O)c1ccc2nnc([C@H]3CCN(C(C)=O)C3)n2c1 96267715 RNRRGQOCLSNTPV-ZDUSSCGKSA-N 343.431 1.984 0 40 EDAB COCCNC(=O)C[C@H]1C[C@H]2CN(Cc3scnc3C)C[C@H]2O1 96218768 QUFMSSYHGLXDSA-BFHYXJOUSA-N 339.461 1.194 0 40 EDAB CN1CCN([C@H]2COC3(CCN(CC4CCOCC4)CC3)C2)CC1 96048868 NFWVPHQJSQJUAO-GOSISDBHSA-N 337.508 1.284 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)NCCOC2CCCCCC2)C1 96411453 DKJRGFCEKSJLCX-OAHLLOKOSA-N 326.485 1.271 0 40 EDAB COc1cc(N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)ncn1 96224530 JBOOKUSYACFGFQ-SFHVURJKSA-N 339.399 1.904 0 40 EDAB Cc1ccc([C@H]2[C@H](C(=O)Nc3cc(C)on3)OCC(=O)N2C)cc1 96181546 DXSBVYGOAMODKP-JKSUJKDBSA-N 329.356 1.828 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1S(=O)(=O)C(C)C 257297265 RGNVSXHVLXTJRW-AWEZNQCLSA-N 340.449 1.296 0 40 EDAB C[C@H](NC[C@H]1CCC=CO1)C(=O)Nc1ccc(-n2cncn2)cc1 252483948 FLGOUERNMHIYHA-XJKSGUPXSA-N 327.388 1.877 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)CN(C)C2CCCC2)n1 257258481 KUESXVBAECYTMT-OAHLLOKOSA-N 347.463 1.601 0 40 EDAB O=C(c1cnc(C2CC2)nc1)N1CCC[C@@H](c2ccnc(O)n2)C1 257213082 CGCONQYHPATJMI-GFCCVEGCSA-N 325.372 1.869 0 40 EDAB NC(=O)CN1CCC(CCc2ccnc(Nc3ncccn3)c2)CC1 257322643 WGUMCCXAGFMROK-UHFFFAOYSA-N 340.431 1.745 0 40 EDAB CC(C)(NC(=O)CCN1C(=O)CCC1=O)c1ccc2c(c1)OCCO2 64314712 HQCLIYOQXANJHQ-UHFFFAOYSA-N 346.383 1.348 0 40 EDAB CCc1nc(C)c(CN2[C@H]3CCN(C(C)=O)C[C@@H]3C[C@]2(C)CO)[nH]1 257200212 ACKSPULEEBOSMC-QILLFSRXSA-N 334.464 1.474 0 40 EDAB O=C1COc2ccc(S(=O)(=O)Nc3nccc(C4CC4)n3)cc2N1 530156963 NTKLDDNVLBXHDI-UHFFFAOYSA-N 346.368 1.486 0 40 EDAB COc1cccc([C@@H](C)C(=O)N[C@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1615586551 OPIYBTCHEPUYBO-OCCSQVGLSA-N 342.399 1.454 0 40 EDAB C[C@@H]1CCN(S(=O)(=O)c2cnc(C3OCCO3)s2)C[C@@H]1C 1615587223 VMBKRMRGQUIVME-ZJUUUORDSA-N 332.447 1.855 0 40 EDAB O=S1(=O)C=C[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575422669 BUDDZSXONUSUGJ-ZETCQYMHSA-N 342.225 1.582 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2cncn2[C@@H](C(=O)NCc2ccco2)C1 585096032 NPHMIGNOBJKGBF-BYCMXARLSA-N 328.372 1.332 0 40 EDAB COc1ccc2sc(N3CC(C(=O)N4CCOCC4)C3)nc2c1 585251249 ODAYCABVNHKLMP-UHFFFAOYSA-N 333.413 1.600 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)CCc3cc(O)no3)C2)c1 585275422 ANOPQOWWAVMZAD-GOSISDBHSA-N 346.383 1.664 0 40 EDAB COCCN1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)CC1=O 585099739 JELCIGYTKJKLMX-UHFFFAOYSA-N 348.418 1.856 0 40 EDAB COCCNC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 69900922 CETOATAKFVQNAS-UHFFFAOYSA-N 327.331 1.079 0 40 EDAB COCCCCN1CCC(NS(=O)(=O)c2ccccc2)CC1 69699262 FHPJPMVOZATBLS-UHFFFAOYSA-N 326.462 1.856 0 40 EDAB COc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)s2)c1 45791201 PUKJZVVDTJZEHV-UHFFFAOYSA-N 340.426 1.377 0 40 EDAB CN(C)C(=O)C[C@H](NC[C@@H]1CNc2ccnn2C1)c1ccccc1 58315937 FWAXMYURXZKOPT-ZBFHGGJFSA-N 327.432 1.734 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)C[C@H]1N1CCOCC1 76051846 SJALWSBMRQJELL-FRFSOERESA-N 343.427 1.292 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCN(C[C@H](O)C2CC2)CC1 85436633 PLWNAROJJBIIPL-HNNXBMFYSA-N 338.835 1.877 0 40 EDAB COc1cccc(-n2c(SCC(N)=O)nnc2-c2cccnc2)c1 416693 QVBLWEPAZZADRZ-UHFFFAOYSA-N 341.396 1.915 0 40 EDAB COc1ccc2c(c1)ON(c1ncc(F)c(N3CCOCC3)n1)N=C2 5880370 HQDXQERHEGJBFB-UHFFFAOYSA-N 345.334 1.609 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1 12852773 BOCOGTJEHKMMAZ-NSHDSACASA-N 326.418 1.738 0 40 EDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NC[C@@H]1CCCO1 13689381 CIKZSAWDWXEZSE-ZDUSSCGKSA-N 343.383 1.017 0 40 EDAB Cc1cc(NC(=O)Cn2cnc(-c3ccc(F)cc3)cc2=O)no1 13808084 OVJZCNSFFZPOGF-UHFFFAOYSA-N 328.303 1.985 0 40 EDAB CCn1nncc1CNS(=O)(=O)c1cc(Cl)ccc1C(=O)O 530151383 ZIMBICLHUZLOHS-UHFFFAOYSA-N 344.780 1.128 0 40 EDAB COc1ccc2oc(C)c(C(=O)N(C)C[C@@H]3COC[C@@H](O)[C@H]3O)c2c1 643551057 GLOLANLDHGUVJQ-ZLENFMNRSA-N 349.383 1.190 0 40 EDAB CCOC(=O)c1cnc(N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)nc1C 585092080 DIVFOOHMYXYCTK-CFVMTHIKSA-N 335.404 1.328 0 40 EDAB Cc1cccc(-n2nnnc2SCC(=O)N2C[C@H](C)O[C@H](C)C2)c1 18141051 RTPMGECUGKUQHN-BETUJISGSA-N 347.444 1.699 0 40 EDAB CSc1nnc(SCC(=O)NC(=O)c2cccn2C)s1 3548749 GHIYQZLYBMONIB-UHFFFAOYSA-N 328.444 1.647 0 40 EDAB Cc1cc(C)c2ccc(N3CCO[C@H](C(=O)NC4CC4)C3)nc2n1 1889103122 UMTIEPILMSQUGJ-HNNXBMFYSA-N 326.400 1.730 0 40 EDAB CN(C(=O)COc1cccnc1)[C@@H]1CCCN(c2ccccn2)C1 2037684450 JKKGJPYWNOVCKL-OAHLLOKOSA-N 326.400 1.983 0 40 EDAB Cc1nc(C)c(CN2CCO[C@]3(CO[C@H](C(=O)N(C)C)C3)C2)s1 1565541772 XGFYRQHSDSYPAU-BBRMVZONSA-N 339.461 1.208 0 40 EDAB O=C(CSc1nc(=O)n2ccccc2n1)NCc1ccccc1 4499761 RLPCKLRNRLZEFC-UHFFFAOYSA-N 326.381 1.498 0 40 EDAB C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@]12CCN(c1cccnc1)C2=O 2055713207 FYOWVCAQYOTYBW-SJKOYZFVSA-N 325.372 1.320 0 40 EDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccco2)CC1 2055704292 CDGUIAWUAXPKPE-UHFFFAOYSA-N 332.404 1.230 0 40 EDAB COc1ccc(CCC(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1 217782337 NLJBWOLAAGWWID-CYBMUJFWSA-N 348.424 1.924 0 40 EDAB Cc1nc2cc(NC(=O)NCCN3C(=O)COC3=O)ccc2s1 575617739 ZTXDADGPKIFKSH-UHFFFAOYSA-N 334.357 1.705 0 40 EDAB O=C1CCC(=O)N1CC1CN(S(=O)(=O)c2cccc(Cl)c2)C1 618256855 XXHYWHNIZALATR-UHFFFAOYSA-N 342.804 1.110 0 40 EDAB O=C(O)c1ccc(CN[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 100094815 JKHKCHZFCXUDFQ-HNNXBMFYSA-N 342.326 1.946 0 40 EDAB Cc1ccc(O)c(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c1 50177905 RHXGEDPIPPZKSQ-OAHLLOKOSA-N 338.367 1.759 0 40 EDAB Cc1cc(=O)n2nc(NCCCN3C[C@@H](C)O[C@H](C)C3)sc2n1 40489717 PSTANOKLYCXFHH-VXGBXAGGSA-N 337.449 1.371 0 40 EDAB CC1CCN(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)CC1 40494433 MVDWFBDAWJGQHF-UHFFFAOYSA-N 340.445 1.866 0 40 EDAB Cc1ccc(-n2nnc(C(=O)N3CCC(C(N)=O)CC3)c2C)cc1C 51317528 JGJIJIMJFUKEDU-UHFFFAOYSA-N 341.415 1.530 0 40 EDAB CC1(C)C[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)CCO1 101413665 PKEXSHISRBTSKO-RISCZKNCSA-N 345.399 1.851 0 40 EDAB CC(C)c1cccc(CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)n1 101883414 QREFSKLKKQDIGD-UHFFFAOYSA-N 345.428 1.771 0 40 EDAB CC(C)S(=O)(=O)[C@H](C)C(=O)OCC(=O)NC1CCCCCC1 52409374 RFOWLUICNFOSAJ-GFCCVEGCSA-N 333.450 1.580 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)C(C)(C)c2ccccc2)CC1 32907999 SOEAFFVOMHIRCX-UHFFFAOYSA-N 338.473 1.895 0 40 EDAB Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)[C@@H](NC(N)=O)C(C)C 32915100 VYNQCGUCHZGSIV-HNNXBMFYSA-N 347.394 1.629 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 22014658 FNTNADDVIBNHDO-ZDUSSCGKSA-N 334.807 1.401 0 40 EDAB Cc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc(N)n1 42106524 ZEXYEFNGEFSGNY-UHFFFAOYSA-N 329.379 1.398 0 40 EDAB C[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccc(F)cc1 23057982 BKYFFTWVUWVVEZ-SECBINFHSA-N 325.365 1.303 0 40 EDAB O=S(=O)(Cc1ccccc1)NCCOc1ccc2c(c1)OCO2 23143698 LPGDBLNMHMAJMI-UHFFFAOYSA-N 335.381 1.914 0 40 EDAB Cc1nc2c(c(C)c1CNC(=O)[C@H](C)OCCC(C)C)c(=O)[nH]n2C 72285354 MHFFABYYJCDIEJ-ZDUSSCGKSA-N 348.447 1.946 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)Cn3c(=O)[nH]c4ccccc43)C2)no1 72232293 JTEJERXXTSVYDQ-GFCCVEGCSA-N 341.371 1.427 0 40 EDAB CCOC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1 569868 RNNLOPIEFCQSPZ-UHFFFAOYSA-N 343.387 1.879 0 40 EDAB CC1CCN(c2ccc(=O)n(CC(=O)NCc3ccccn3)n2)CC1 61717841 BHCVSIFJUAISRU-UHFFFAOYSA-N 341.415 1.191 0 40 EDAB C[C@@H](C(=O)NCCN1CCS(=O)(=O)CC1)c1cccc(Cl)c1 78878132 ONDMWSRJZATGLT-GFCCVEGCSA-N 344.864 1.290 0 40 EDAB CN1N=C(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CCC1=O 42661148 GDFBZHHZBGAMEV-UHFFFAOYSA-N 328.372 1.469 0 40 EDAB O=S(=O)(NC1CCN(Cc2ccccc2F)CC1)[C@H]1CCOC1 95398586 CYQOQAHVIIDJHT-HNNXBMFYSA-N 342.436 1.498 0 40 EDAB C[C@@H]1CN(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)C[C@@H](C)O1 3242963 SEESJDSBECMTHU-VXGBXAGGSA-N 345.351 1.586 0 40 EDAB O=C(NCc1cccnc1-n1cccn1)c1ccnc(-n2cncn2)c1 54705552 VHJNXJWQNRYAEW-UHFFFAOYSA-N 346.354 1.173 0 40 EDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(F)cc1 12556909 INMJKLFJQUPEHP-UHFFFAOYSA-N 327.319 1.123 0 40 EDAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCNC1=O 6549523 IEXYIEHPSJGVBN-UHFFFAOYSA-N 343.412 1.789 0 40 EDAB CNC(=O)Cn1cc(NC(=O)CN[C@@H]2CCCC[C@@H]2C(C)(C)C)cn1 95394085 YLOGDGGJLDRORN-LSDHHAIUSA-N 349.479 1.762 0 40 EDAB C[C@@H](CNC(=O)[C@H]1CCCN(c2ncccn2)C1)CN1CCCC1 55538434 TWDNTZNZFIVYNT-HOTGVXAUSA-N 331.464 1.541 0 40 EDAB COc1cc(CNn2cn[nH]c2=S)cc(Cl)c1OCC(N)=O 8470055 SSMCTCQXBHSVHX-UHFFFAOYSA-N 343.796 1.210 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 106773398 YVWVZCUJMBRGRU-RWMBFGLXSA-N 325.434 1.668 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3cnccn3)CC2)cc1OC 25200880 ODCYTBWYISACFA-UHFFFAOYSA-N 342.399 1.452 0 40 EDAB COc1ccc(CN[C@@H]2CCS(=O)(=O)C2)cc1Br 34994439 BVZZDASFRMDKCV-SNVBAGLBSA-N 334.235 1.734 0 40 EDAB CCc1nnsc1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 25670319 ZNLVSATZDXZTQJ-UHFFFAOYSA-N 344.393 1.863 0 40 EDAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC(C)(C)C(N)=O 57258150 HNZHCNXANMJAAF-UHFFFAOYSA-N 332.379 1.551 0 40 EDAB COc1cccc(CNC(=O)C(=O)NCc2cccc(OC)c2)c1 9991758 PGMRJCXUYBRVHG-UHFFFAOYSA-N 328.368 1.636 0 40 EDAB COc1cc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)ccn1 48279611 FFIJIERIYCVODN-UHFFFAOYSA-N 338.367 1.576 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cnn(Cc2ccccc2)c1 44720541 CAIKNZLLRYTEAX-AWEZNQCLSA-N 333.413 1.096 0 40 EDAB CCCCn1nc(C(=O)NCCOc2ccc(OC)cc2)ccc1=O 44872740 BRMIFXDQTNQFTG-UHFFFAOYSA-N 345.399 1.861 0 40 EDAB CCS(=O)(=O)Nc1cccc(C(=O)NCCCOC(C)C)c1 29561836 VBXTVXJPBCBVHK-UHFFFAOYSA-N 328.434 1.993 0 40 EDAB CC(=O)NCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 58209424 YGXPNDBMJNBUKK-CHWSQXEVSA-N 325.206 1.805 0 40 EDAB CC(C)N1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 58283528 GKBCGAXLEBQRSO-JKSUJKDBSA-N 329.444 1.886 0 40 EDAB O=C(CN1CCc2sccc2C1)Nc1ccc2[nH]c(=O)[nH]c2c1 12757460 DRYGMJGMHUXYBI-UHFFFAOYSA-N 328.397 1.915 0 40 EDAB CNC(=O)CCN(C)S(=O)(=O)c1cccc(Br)c1 58305058 NCOHHTMKRYLXLP-UHFFFAOYSA-N 335.223 1.206 0 40 EDAB Cc1ccc(CC(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)cc1 58330044 XUXNCZDAUGJUBH-UHFFFAOYSA-N 336.399 1.553 0 40 EDAB COc1ncccc1CNc1ccc(S(=O)(=O)N2CCCC2)cn1 45026534 FTNHXJKVEZZPOY-UHFFFAOYSA-N 348.428 1.882 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNCC1(N(C)C)CCCCC1 58415090 FPDMAXTXLWTMQC-UHFFFAOYSA-N 349.523 1.919 0 40 EDAB CC(C)c1ccc(OCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 58431748 SHINVZWZLZBYRS-AWEZNQCLSA-N 325.430 1.882 0 40 EDAB CCNC(=O)COc1ccc(CN2C[C@@H](CN)C[C@@H]2C)cc1OC 97165821 IVECRMZXKBLFQA-DZGCQCFKSA-N 335.448 1.379 0 40 EDAB C[C@H](C(=O)N[C@H](c1ccn(C)c1)C(F)(F)F)N1CCN(C)CC1 97112914 BPCHCNPZBDGVOM-DGCLKSJQSA-N 332.370 1.381 0 40 EDAB CCc1noc2ncc(S(=O)(=O)NC[C@H](C)Cn3cccn3)cc12 97139770 NYPWTYPUSLYDBG-NSHDSACASA-N 349.416 1.596 0 40 EDAB COCc1cccc(C(=O)NCc2ccc(N3CCOCC3)nc2)c1 10719652 OLHPFXTWXYKZQY-UHFFFAOYSA-N 341.411 1.995 0 40 EDAB O=S(=O)(NC[C@H]1CCOC1)c1ccc(OC(F)(F)F)cc1 45743390 JNHJLJGJIWWBDU-SECBINFHSA-N 325.308 1.900 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)on2)C1 29198729 UZQILGBQRCMTRP-SNVBAGLBSA-N 339.373 1.088 0 40 EDAB CCN1C[C@@H](C(=O)N2CCCN(Cc3ccccc3)CC2)CC1=O 46180661 FMIVAWJPQZQUCS-KRWDZBQOSA-N 329.444 1.589 0 40 EDAB Cc1nn(C)c(C)c1CNc1cccc(N2CCS(=O)(=O)CC2)c1 95428822 QCDJNMMBWAANAV-UHFFFAOYSA-N 348.472 1.884 0 40 EDAB O=C1CC[C@@H](C(=O)NCc2cccc(OCc3ccccn3)c2)N1 60537646 OOABFSKUZOVTAK-INIZCTEOSA-N 325.368 1.555 0 40 EDAB COc1ccc(-c2nnc(SCC(=O)NCC(C)C)n2N)cc1 3406021 WOPROXPGMKBUBY-UHFFFAOYSA-N 335.433 1.532 0 40 EDAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(=O)[nH]n3)c2C(N)=O)C1 3448169 FTXBEBQFMLTHGQ-SSDOTTSWSA-N 332.385 1.307 0 40 EDAB Cn1cc(CCNC(=O)N2CCN(c3ccccc3O)CC2)cn1 46994050 DNIPFKVVKARFEA-UHFFFAOYSA-N 329.404 1.200 0 40 EDAB Cc1nc(C)c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)o1 95445940 UGKUAUKRNCAKDS-IAGOWNOFSA-N 343.427 1.904 0 40 EDAB COc1cc(OC)cc(C(=O)NCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 13038240 LLBNTAGRCIIBAI-BETUJISGSA-N 334.416 1.938 0 40 EDAB CC(C)(O)[C@H]1CCCN1C(=O)NCC[S@](=O)Cc1ccccc1 97114615 VEXXODJRYIMNTI-IQMFZBJNSA-N 338.473 1.880 0 40 EDAB CCCCOc1ccc(CCNC(=O)Cn2ccc(=O)[nH]c2=O)cc1 49254296 NCHRDEZTESFGPO-UHFFFAOYSA-N 345.399 1.074 0 40 EDAB Cc1c(CCC(=O)N2CCN(C)CC2)c(=O)oc2cc(O)ccc12 13692424 UJADACLZCPMCKT-UHFFFAOYSA-N 330.384 1.514 0 40 EDAB C[C@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)CC(=O)N2 65418679 SFYQWWKOZJYBPP-LBPRGKRZSA-N 327.388 1.828 0 40 EDAB CSc1cccc(N2C[C@H](C(=O)NCCn3ccnc3)CC2=O)c1 65575029 NBKSPKJMUIAMDJ-CYBMUJFWSA-N 344.440 1.774 0 40 EDAB Cc1csc(N2CCCN(C(=O)[C@H](C(C)C)n3cncn3)CC2)n1 65504856 RZHQTFPLMIJARD-AWEZNQCLSA-N 348.476 1.979 0 40 EDAB C[C@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)c1ccncc1 65623397 ZXUCIRZJZDQFQG-NSHDSACASA-N 344.396 1.624 0 40 EDAB CN1CCC(c2nc(N(C)C)ncc2I)CC1 72343523 JWWBZFSRMBBUQD-UHFFFAOYSA-N 346.216 1.956 0 40 EDAB CN1C[C@@H](C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)CC1=O 66510489 USWNMMBIQMEUEI-JTQLQIEISA-N 334.376 1.845 0 40 EDAB Cc1ccc(Nc2n[nH]nc2C(=O)N2CCCN(C)CC2)cc1C 67284595 QUERSVLKXQDUDY-UHFFFAOYSA-N 328.420 1.943 0 40 EDAB CCOC(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409381281 FDYAIOMNHOBMFG-KHSSZTOVSA-N 345.351 1.846 0 40 EDAB Cc1cc(N)nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 7048383 JRVHLFLKMGYWEE-UHFFFAOYSA-N 332.385 1.869 0 40 EDAB COc1ccc(C)cc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 7016102 TYMNQKVYHUSPQK-UHFFFAOYSA-N 347.396 1.440 0 40 EDAB C[C@@H](C(=O)NC(N)=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 67401377 GPMQFQRDNVDDIK-IINYFYTJSA-N 339.823 1.669 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1 67473063 PBIWNJUJRWNCKK-QGZVFWFLSA-N 344.390 1.798 0 40 EDAB COC(=O)C[C@@H](c1oc(C)cc(=O)c1O)c1cnn2cccnc12 95477771 RIXZHJSFYDANLJ-SNVBAGLBSA-N 329.312 1.392 0 40 EDAB O=C(CN1CCSC1=O)NCc1ccc(N2CCCC2=O)cc1 7491613 XLMKRPIOYUWBLG-UHFFFAOYSA-N 333.413 1.598 0 40 EDAB Cn1c(Cl)cnc1CN1CCN(C(=O)c2cccc(O)c2)CC1 81019308 HSYHSFDFJHVWMT-UHFFFAOYSA-N 334.807 1.737 0 40 EDAB CN(Cc1cscn1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 71826977 LLMNEBHEGXBKIU-CQSZACIVSA-N 343.412 1.222 0 40 EDAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)C[C@H]1C=CS(=O)(=O)C1 71847421 JPKJBNSKFUWGCU-BXUZGUMPSA-N 335.381 1.066 0 40 EDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OC[C@H]2CCCO2)C1=O 71881728 VVCQCKJRESIUBQ-KDOFPFPSSA-N 346.383 1.566 0 40 EDAB CCOC1CCN(C(=O)CCn2nc(O)c3ccccc3c2=O)CC1 71821392 GZRWDHOAGBJILO-UHFFFAOYSA-N 345.399 1.520 0 40 EDAB Cn1cc(CCNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1 69079056 XCAPWJANUXJEPP-HNNXBMFYSA-N 327.388 1.067 0 40 EDAB O=C(Cn1nnc2ccccc21)Nc1ccc(N2CCOCC2)cc1 8189513 PHGPEEUXELJJJO-UHFFFAOYSA-N 337.383 1.907 0 40 EDAB NC(=O)[C@@H]1CCN(Cc2cc(Br)c3c(c2)OCO3)C1 71824747 RZMDLNDRBRYWEX-SECBINFHSA-N 327.178 1.485 0 40 EDAB CCCNC(=O)CCC(=O)N1CCN(c2cccc(Cl)n2)CC1 69155778 KCJJCZXXIFAYJW-UHFFFAOYSA-N 338.839 1.690 0 40 EDAB CC(C)NC(=O)CCNC(=O)Nc1ccc(Cn2cccn2)cc1 69187128 GTMYVOOMFVFTRQ-UHFFFAOYSA-N 329.404 1.968 0 40 EDAB Cc1ccc(C(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)n1C 71839650 VENLWLLYXYQXHR-UHFFFAOYSA-N 331.420 1.798 0 40 EDAB CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@H](c2ccn[nH]2)C1 84575048 KTRXCURZCPIEES-ZDUSSCGKSA-N 327.450 1.577 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 83829917 KVTMMKNYJSJUHG-CYBMUJFWSA-N 334.351 1.485 0 40 EDAB O=C(CN1CCC[C@@H](O)C1)NCc1ccc(F)cc1C(F)(F)F 71948646 TVFQZKJYHACIIY-GFCCVEGCSA-N 334.313 1.917 0 40 EDAB COC(=O)[C@H](NS(=O)(=O)c1cnc2onc(C)c2c1)C(C)(C)C 71914027 RCQMWSRTHXYITC-NSHDSACASA-N 341.389 1.397 0 40 EDAB Cc1ccc(N2CCCC2=O)c(C(=O)NC[C@H](O)C(F)(F)F)c1 81804507 WYFVRLARSQUWNV-LBPRGKRZSA-N 330.306 1.775 0 40 EDAB CN(C)C(=O)c1sccc1S(=O)(=O)NCc1cccs1 69323608 DPYNLDOUIRVZOV-UHFFFAOYSA-N 330.456 1.990 0 40 EDAB NC(=O)c1ccsc1NC(=O)CN1CCC(c2ccn[nH]2)CC1 69350987 BRNYGVRZKZGNDO-UHFFFAOYSA-N 333.417 1.388 0 40 EDAB O=C(CN1CCCC[C@H]1Cc1ccccc1)NCC(=O)N1CCCC1 69444453 XTVFQLWESXXAIY-SFHVURJKSA-N 343.471 1.822 0 40 EDAB CCc1nnc2n1CCN(Cc1csc(-c3cnn(C)c3)n1)C2 69456769 XQYPSHDKPGICOU-UHFFFAOYSA-N 329.433 1.713 0 40 EDAB Cc1noc(CN2CCN(c3ncnc4cccc(F)c34)CC2)n1 69443169 APOGHNWHHASJHZ-UHFFFAOYSA-N 328.351 1.783 0 40 EDAB COCc1nc2n(n1)C[C@H](Nc1ccc(OC(F)F)cn1)CC2 91739620 WQMPWSNWFNLPJC-SECBINFHSA-N 325.319 1.848 0 40 EDAB Cc1nc(CN2CCC[C@@H](NCc3nc(CC(C)C)no3)C2)no1 69629401 FOPRQDRYZFBLHS-CYBMUJFWSA-N 334.424 1.714 0 40 EDAB CCCc1cc(N[C@H]2CCc3nc(CC)nn3C2)n2ncnc2n1 69601428 XHGCKRKLOZZHBX-LBPRGKRZSA-N 326.408 1.658 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1Cc1ccccc1 69631678 RELGWMTXADRTPV-CVEARBPZSA-N 336.457 1.980 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)c2cccc3c2OCO3)CC1 69772307 HXUJOATZCAJFNY-OAHLLOKOSA-N 334.416 1.580 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN1CC[S@@](=O)c1ccccc1 69778350 CLCGYSLNVCJUJP-ZLOXQWCVSA-N 348.390 1.937 0 40 EDAB O=[S@](CCN1CCN(CCN2CCCC2)CC1)c1ccccc1 69848714 XXLPGRAYZGDXNX-QHCPKHFHSA-N 335.517 1.508 0 40 EDAB COC[C@H](C)NC(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C 69845066 PIXZFJRWSUWMJE-NSHDSACASA-N 343.449 1.920 0 40 EDAB O=[S@](CCN[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 69875836 LGOCPBFOSWWIGO-WNSKOXEYSA-N 330.457 1.843 0 40 EDAB O=C1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)CCN1 97085906 CCKLSOBZFIDBNM-NSHDSACASA-N 332.322 1.267 0 40 EDAB CN1CCO[C@H](C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccco2)C1 95434241 MPNLQUUHZVEYJW-VYDXJSESSA-N 336.432 1.805 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](C(=O)NOCc1ccccc1)C(C)(C)O 98087538 CVDWRNZTWXJRST-ZDUSSCGKSA-N 338.404 1.899 0 40 EDAB CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)Cc2cc(F)ccc2F)O1 95984351 XPFMSQXZYAIXOO-OCCSQVGLSA-N 326.343 1.259 0 40 EDAB CNC(=O)[C@@H](NC(=O)C(F)(F)C1(O)CCC1)c1ccc(F)c(F)c1 95978169 DJADAFZETFKNHC-NSHDSACASA-N 348.296 1.418 0 40 EDAB CCOCCCn1c(NS(=O)(=O)N(C)C)nc2ccccc21 75093577 NFKGJOUBELPXQN-UHFFFAOYSA-N 326.422 1.681 0 40 EDAB CN(Cc1nccn1C)C(=O)CCNC(=O)c1[nH]nc2ccccc12 89761417 QHUPRHMFCAPPEY-UHFFFAOYSA-N 340.387 1.075 0 40 EDAB CC[C@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)C[C@H]1N(C)C 89948412 BQYHXCLXELDMAW-WMLDXEAASA-N 342.443 1.585 0 40 EDAB Cc1nn(CC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C)c1Cl 76051163 KJLCCWVJAIULOK-SMDDNHRTSA-N 340.855 1.332 0 40 EDAB O=C(CN1CCN(c2nc3ccccc3o2)CC1)N1CCCCC1 25249749 AFECLTNGAQQFGF-UHFFFAOYSA-N 328.416 1.962 0 40 EDAB O=C1CC[C@@H](C(=O)NCCc2cc(Br)ccc2F)N1 65604412 KLCKZYXRNSRGDP-NSHDSACASA-N 329.169 1.526 0 40 EDAB COC(=O)[C@H](CCSC)NS(=O)(=O)c1cc(C)cc(C)c1 64219802 PKXTWDZRUFIRIO-ZDUSSCGKSA-N 331.459 1.876 0 40 EDAB COc1ccc(CN2C[C@H]3OC[C@@H](CN4CCCC4=O)[C@H]3C2)cc1 306130295 JBPGEMIVJPEYFC-KBAYOESNSA-N 330.428 1.764 0 40 EDAB C[C@@H](Cc1ccsc1)NS(=O)(=O)c1csnc1C(=O)O 516925327 NHSDILANXBKSKF-ZETCQYMHSA-N 332.428 1.812 0 40 EDAB COc1ccc([C@H](NS(=O)(=O)CC2CC(F)(F)C2)C(=O)O)cc1 517736186 IOFZJNZXWMWQES-LBPRGKRZSA-N 349.355 1.786 0 40 EDAB O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)[C@H](O)Cc1ccccc1 72320181 AJVFRMRGYXQCPD-HZPDHXFCSA-N 329.352 1.108 0 40 EDAB Cc1nc(CN2CCN(Cc3ccccc3)CC2)ncc1C(=O)O 217345441 RQBYTYNHFGSXPV-UHFFFAOYSA-N 326.400 1.801 0 40 EDAB Cc1cccc(N(Cc2noc(CCC(=O)O)n2)S(C)(=O)=O)c1 78400939 KGCGDLBLWLEHAK-UHFFFAOYSA-N 339.373 1.361 0 40 EDAB CN(C)c1cccc(C[C@H]2COCCN(C(=O)c3cc[nH]n3)C2)n1 72388165 ZMQXBYUJXKSIBN-CYBMUJFWSA-N 329.404 1.202 0 40 EDAB CC(=O)N1CCC[C@@H](Cc2nccnc2C(=O)NC2CCCC2)C1 72387203 MPMSEARJXAYSIN-AWEZNQCLSA-N 330.432 1.950 0 40 EDAB Cc1nn(C)cc1C(=O)N1C[C@H](c2ccccc2F)[C@@H](C(=O)O)C1 72346831 OGPIWSDDLVTJDC-KGLIPLIRSA-N 331.347 1.808 0 40 EDAB Cc1nccc(N2CCO[C@H](c3ccc(CCC(N)=O)cn3)C2)n1 72378808 BSRQMXHCYFWFTJ-HNNXBMFYSA-N 327.388 1.176 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NC[C@H](C)Cn1cc(Cl)cn1 36615101 JRAJNLLOUCUPAZ-VIFPVBQESA-N 331.829 1.193 0 40 EDAB COC(=O)c1cc(C(=O)NCCOC23CC4CC(CC(C4)C2)C3)n[nH]1 35655119 CAQSQLXJCDESKU-UHFFFAOYSA-N 347.415 1.912 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)O)ccc1NC[C@H]1CCCO1 217410663 AOYRAUDYVYHHMZ-LLVKDONJSA-N 328.390 1.274 0 40 EDAB CC(C)[C@@H](NC(N)=O)C(=O)NCc1csc(Br)c1 44938925 BRHDVIMPHNTCAN-SECBINFHSA-N 334.239 1.820 0 40 EDAB Cc1nc(CCC(=O)NCc2cccnc2)cc([C@H]2CCCN2)n1 72366959 HMWPHYNILFEJBI-MRXNPFEDSA-N 325.416 1.854 0 40 EDAB O=C(NCc1ccco1)C(=O)NC[C@@](O)(c1ccccc1)C1CC1 70968425 CCNIYCJSLXAZFA-GOSISDBHSA-N 328.368 1.310 0 40 EDAB OC[C@@H]1C[C@H](O)CN1CCOc1cc(F)cc(Br)c1 225466567 VEQWSWQOLVRKNR-RYUDHWBXSA-N 334.185 1.395 0 40 EDAB CCn1nc(C)c2nn(CC(=O)Nc3ccc4c(c3)OCO4)cc21 46087582 PTNHSUHOSAEKMR-UHFFFAOYSA-N 327.344 1.929 0 40 EDAB O=C(C[C@@H](O)Cc1ccccc1)N1CCC[C@H]1c1ccc(O)nn1 530077217 AQJFPQWNIFKPMC-HOCLYGCPSA-N 327.384 1.839 0 40 EDAB C[C@@H]1CN(C[C@H](O)COCCOc2ccc(F)cc2)C[C@@H](C)O1 41690190 RETOKUOVURNNNX-FMKPAKJESA-N 327.396 1.691 0 40 EDAB CC[C@@](O)(C(=O)N[C@H](C)CS(=O)(=O)CC)c1cccc(Cl)c1 225734404 YBVJUZCIOUAYEU-ABAIWWIYSA-N 347.864 1.877 0 40 EDAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@H](C)OC[C@H]3CCCCO3)[C@H]2C1 328820506 HNQTVTCULYKXKQ-BIVLZKPYSA-N 341.448 1.756 0 40 EDAB O=C(NC[C@@H]1NCCc2ccccc21)c1ccc2c(O)ncnc2c1 1580672329 AXVMBSGMEXWXON-KRWDZBQOSA-N 334.379 1.952 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2)C1 48369073 QSHWYHZFFAFMLA-CYBMUJFWSA-N 326.418 1.894 0 40 EDAB c1cnc(N2CCC3(CC2)NCCn2c(-c4cccnc4)cnc23)nc1 96263371 FBTQTIUAINIFNR-UHFFFAOYSA-N 347.426 1.834 0 40 EDAB CC(C)NC(=O)N1CC[C@]2(C1)CN(c1ccsc1)C(=O)CN2C 96237693 MYJPBVPLBSOTCK-INIZCTEOSA-N 336.461 1.589 0 40 EDAB O=C(c1c[nH]cn1)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96073802 MANAONPQULTRKV-WBMJQRKESA-N 346.366 1.215 0 40 EDAB O=C(O)[C@@H]1CN(C2CCOCC2)Cc2ncn(CC3CCOCC3)c21 96196771 BDJRCLUGLDVQNJ-OAHLLOKOSA-N 349.431 1.473 0 40 EDAB COc1ncccc1CN1C[C@@H]2C[C@@H](Cc3nc(C)no3)O[C@@H]2C1 96217120 CJBDAALKCWDAFF-SOUVJXGZSA-N 330.388 1.614 0 40 EDAB CN(C)c1ccc(CCNC(=O)NC[C@@](C)(O)c2cnn(C)c2)cc1 96421499 LHMJNZTYENQUCE-GOSISDBHSA-N 345.447 1.236 0 40 EDAB c1ccc(OC[C@@H]2CN(C3CCOCC3)Cc3cncn3C2)nc1 96218573 OZZFQBOLWQGNTG-OAHLLOKOSA-N 328.416 1.968 0 40 EDAB O=C(NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@H]1CCOC1 96199257 JPGJRDGQJSDUNA-JSGCOSHPSA-N 346.362 1.136 0 40 EDAB CS(=O)(=O)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 96113214 DEULNFDGCLDCTN-GFCCVEGCSA-N 339.335 1.745 0 40 EDAB biogenic,in-vitro COC(=O)C[C@H](c1cnn(C)c1C)c1c(O)nc2ccccn2c1=O 96117065 WQPKCUIQTMHKIF-LLVKDONJSA-N 342.355 1.137 0 40 EDAB COc1ccc(CN2CCOC[C@]3(C[C@@H](CN(C)C)CO3)C2)cc1 96051941 OUECYEPEFWWLKF-HKUYNNGSSA-N 334.460 1.864 0 40 EDAB O[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1nnc(C2CC2)n1C1CC1 583278551 FXTJSRSPIQLRLL-HRCADAONSA-N 332.448 1.852 0 40 EDAB CN(C)C(=O)CCCS(=O)(=O)Cc1nccn1Cc1ccccc1 97325554 YHNYDRWWRSFNFS-UHFFFAOYSA-N 349.456 1.715 0 40 EDAB Cn1cc(-c2nnn3c2CO[C@@H](CNC(=O)c2cccs2)C3)cn1 96199177 CEUBBNHBMHRQTM-NSHDSACASA-N 344.400 1.069 0 40 EDAB CN(C)c1cc(C(F)(F)F)nc(N2CCC[C@@H](c3nnn[nH]3)C2)n1 97234761 VWRUOIVVEYCLBG-MRVPVSSYSA-N 342.329 1.459 0 40 EDAB CN1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccoc2)CC1 96186311 ILMKHECKQKBNGX-IAGOWNOFSA-N 345.443 1.827 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3OCCN(CCN(C)C)[C@H]3CC2)c(C)o1 96249256 QEWJOMDRUNQROY-ROUUACIJSA-N 349.475 1.763 0 40 EDAB Cc1cc(C)cc(OC[C@H](O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 245237031 CJWNWJRLCRFLKF-DJIMGWMZSA-N 329.396 1.994 0 40 EDAB COc1cc(N2CCO[C@H]3CC[C@H]2[C@@H]3Oc2ncccc2F)ncn1 247823451 DSHJWUYQHJBRFQ-XEZPLFJOSA-N 346.362 1.835 0 40 EDAB CC(C)N(CCO)CC1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 585088042 ICTZFPMVQCZKGV-UHFFFAOYSA-N 347.459 1.340 0 40 EDAB O=C(C[C@H]1C(=O)NCCN1Cc1ccccn1)NC1CCCCC1 64002423 RLMXQIJFZUWHIF-INIZCTEOSA-N 330.432 1.221 0 40 EDAB O=S1(=O)CCN(Cc2cnc(-c3ccccc3)o2)[C@@H]2CCOC[C@@H]21 585136634 NSVVLYZHIXFYCJ-CVEARBPZSA-N 348.424 1.730 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@H]2CCc2nccnc2C)cn1 257219883 DIPXIQJZVGTBTG-MRXNPFEDSA-N 326.400 1.962 0 40 EDAB Cc1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cn2)sc1C 585128477 BZYNTVLRTOIDBU-UHFFFAOYSA-N 346.455 1.964 0 40 EDAB Cc1cccc(N2CCC[C@H](NS(=O)(=O)c3cn(C)cn3)C2)n1 257239321 HOUAMFJYHXYRDR-ZDUSSCGKSA-N 335.433 1.071 0 40 EDAB Cc1ccoc1C(=O)N1CC2(C[C@H](Oc3ncccn3)CCO2)C1 253480023 ULYOKWULLPLDIW-CYBMUJFWSA-N 329.356 1.831 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257268593 MMJCBYLYZVWBAP-AWEZNQCLSA-N 332.360 1.238 0 40 EDAB COc1ccccc1CCC(=O)N1CCN(C(C)C)C[C@H]1C(N)=O 257289203 PXMYPGJNRHGHPM-HNNXBMFYSA-N 333.432 1.034 0 40 EDAB COc1cccc(CC(=O)N2CCO[C@@H](c3cc(O)nc(C)n3)C2)c1 257327692 XCHGUZGVWRXFDD-MRXNPFEDSA-N 343.383 1.642 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(Cc2cscn2)C1 257220457 DKWWOEXUJYUOAI-SNVBAGLBSA-N 326.447 1.649 0 40 EDAB Cc1cn([C@@H]2CN(Cc3ncccc3C)CC[C@@]2(C)O)c(=O)nc1O 257254756 KENJSCKEHMOGQU-CRAIPNDOSA-N 344.415 1.159 0 40 EDAB Cc1nsc(N2CCN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)CC2)n1 275964042 MBBBMSYOHUDUFE-LLVKDONJSA-N 348.432 1.036 0 40 EDAB O=S(=O)(Nc1cc(O)ccc1Cl)c1cnn2c1OCCC2 1615571751 OZJNHSGDTVRDHF-UHFFFAOYSA-N 329.765 1.825 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)Nc1cnn(C2CCOCC2)c1 96123340 SKXYRHLOHBFXLI-UHFFFAOYSA-N 342.355 1.781 0 40 EDAB C[C@@H]1CN(C(C)(C)CNS(=O)(=O)N2CCCCCC2)C[C@@H](C)O1 22413327 HGAVWHXLBNBVNC-HUUCEWRRSA-N 347.525 1.585 0 40 EDAB CO[C@@]1(COc2ccccc2)COCCN(C(=O)c2cncnc2)C1 585268988 GQZOGTPVOXXJAA-GOSISDBHSA-N 343.383 1.413 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)CN1CCCC1 585287713 CADTUSLAQDQRMT-KBXCAEBGSA-N 337.464 1.147 0 40 EDAB CCn1ncc(Cl)c1C(=O)N1CCC[C@@]1(COC)CC(N)=O 585278733 ROYACGTTYFNGRC-AWEZNQCLSA-N 328.800 1.053 0 40 EDAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)N(C)C)CC1 69348722 DMHZMRZUFXFNOK-JKSUJKDBSA-N 345.443 1.031 0 40 EDAB Cc1csc(N2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)n1 69627111 PHWXFVRIKKIQBZ-LSDHHAIUSA-N 341.477 1.130 0 40 EDAB CN(C)C[C@@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)CCO1 72267637 AQQGBUQYADMZMC-GFCCVEGCSA-N 345.896 1.622 0 40 EDAB CCOc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 72269480 QTWPPSSBDAZYPJ-MSOLQXFVSA-N 332.444 1.685 0 40 EDAB Cc1cc([C@H]2CCCN2C(=O)CN2C(=O)NC3(CCCC3)C2=O)on1 53109216 HGHKQQLDXATPEP-GFCCVEGCSA-N 346.387 1.511 0 40 EDAB CN(CCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 53207296 UOMRGYIGYNGFKH-HNNXBMFYSA-N 341.411 1.881 0 40 EDAB COc1ccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1F 54994028 YIWTZLFODZNUSF-HNNXBMFYSA-N 336.407 1.905 0 40 EDAB COCCN(Cc1ccccn1)S(=O)(=O)c1c(C)noc1C 55269369 SDESRZLOUGCKJZ-UHFFFAOYSA-N 325.390 1.524 0 40 EDAB CCOC(=O)c1cn(C[C@H]2CC(=O)N(Cc3ccccc3)C2)nn1 1889133884 BCZHMIGBGNXAEK-AWEZNQCLSA-N 328.372 1.504 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCO[C@H](c2nc(C(C)C)n[nH]2)C1 78889176 UAAHJWRPJGOVRK-AWEZNQCLSA-N 346.435 1.421 0 40 EDAB Cn1cc([C@@H](O)CNC(=O)NCC(C)(C)c2cccc(F)c2)cn1 76087793 FAMGDZDFKDJVPP-HNNXBMFYSA-N 334.395 1.870 0 40 EDAB COC(=O)c1ccsc1N1CC[C@H](Nc2nc(C)ns2)C1=O 80678606 PHRGEMGGZOLMLQ-VIFPVBQESA-N 338.414 1.912 0 40 EDAB CC(C)(O)C(C)(C)OB(O)c1cccc(CCCN2CCOCC2)c1 200331908 JNPZFUOJLNLWCQ-UHFFFAOYSA-N 349.280 1.205 0 40 EDAB c1c2c(cc3c1cc(CNC[C@@H]1CCCO1)c1nnnn13)OCO2 13998127 CRXJUXDWMNCIOT-LBPRGKRZSA-N 327.344 1.275 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 19021327 JLUGBZOWTYRHSN-NSHDSACASA-N 334.401 1.640 0 40 EDAB CC(=O)NCCn1nc([C@@H]2CCN(C(=O)C(C)C)C2)c2cccnc21 19085137 SKJXZPCLATZJIO-CQSZACIVSA-N 343.431 1.539 0 40 EDAB COc1cc(CN2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)cc2c1OCO2 19285211 VPDJYYXAXWHITC-ZDUSSCGKSA-N 343.383 1.805 0 40 EDAB CCNC(=O)NC(=O)COC(=O)/C=C/c1ccc(OC)c(OC)c1 3377943 OIBVIAQSOOXJDS-SOFGYWHQSA-N 336.344 1.106 0 40 EDAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(C2CCCC2)CC1 35313981 DWKOKONQYGIUNQ-UHFFFAOYSA-N 326.404 1.363 0 40 EDAB COc1cccc([C@@H]2CO[C@]3(C2)CN(Cc2cc[nH]n2)C[C@H]3O)c1 643550977 BWXDGQSLPAXEMR-BMGDILEWSA-N 329.400 1.538 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 218047 JGZGPUASQKPYFA-UHFFFAOYSA-N 343.449 1.194 0 40 EDAB Cc1cc(C)nc(N2C[C@@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)n1 1888897225 VDPIHHSYMJUJCM-KBPBESRZSA-N 336.403 1.104 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)c5ccccc5)C[C@@H]4C3)ncnc21 1888906640 XIDJMXVSDANCOR-GJZGRUSLSA-N 348.410 1.572 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)c1cc2c(nn1)CCOC2 1889110063 XSCQACUKESMOFP-UHFFFAOYSA-N 328.372 1.662 0 40 EDAB Cc1ncc(C(=O)N2CC[C@H]3C[C@@]32C(=O)NCc2cccnc2)cn1 2056223814 COLRCEQXAIHOAN-YJBOKZPZSA-N 337.383 1.101 0 40 EDAB COc1cnc(C(=O)N2CC3(C[C@H](N4CCCC4)CS3)C2)cn1 2056225051 ZKOCFDRWEHGNJH-LBPRGKRZSA-N 334.445 1.281 0 40 EDAB O=C(c1ccnc(F)c1)N1CC[C@H]2C[C@@]21C(=O)NCc1cccnc1 2056226503 SIUUJGOGKKZKNT-KSSFIOAISA-N 340.358 1.537 0 40 EDAB COC1(CC(=O)N2CCCn3nnc(CN4CCCC4)c3C2)CCC1 1565555009 NQIXXBSYKTUUHH-UHFFFAOYSA-N 347.463 1.565 0 40 EDAB CCc1ccc(C(=O)N2CC3(CCN3C(=O)c3cnn(C)c3)C2)cn1 1565549747 BIDOZTRKDURRMP-UHFFFAOYSA-N 339.399 1.118 0 40 EDAB O=C(CSc1nnc2[nH]c(=O)ccn12)Nc1cccc(Cl)c1 4249825 JDZPQYFVTMLCAK-UHFFFAOYSA-N 335.776 1.802 0 40 EDAB CN(C)Cc1noc2c1C[C@@H](NS(=O)(=O)c1ccccc1)CC2 2055730197 KTSNHUQQGROCHZ-LBPRGKRZSA-N 335.429 1.572 0 40 EDAB O=C(NCC1CC1)[C@@]1(n2ccnc2)CCCN(Cc2ccncc2)C1 2055772438 IRRPBGVIWBOWRS-LJQANCHMSA-N 339.443 1.796 0 40 EDAB O[C@@H]1CCN(Cc2noc3c2C[C@@H](NCc2cccnc2)CC3)C1 2055732548 NOOFDQNPVPVFJE-LSDHHAIUSA-N 328.416 1.283 0 40 EDAB COc1cccc(CCNC(=O)Cn2cnc(C(C)C)cc2=O)c1 36703846 NTNXMEBEZOQEOP-UHFFFAOYSA-N 329.400 1.734 0 40 EDAB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(F)cc1)C1=C(COC1=O)N2 7736433 CIEAPCCCNMSXMU-LLVKDONJSA-N 343.314 1.064 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)c1nnn2cc(C)nc(O)c12 75163977 FKPDZPXSFVCMDB-UHFFFAOYSA-N 341.327 1.567 0 40 EDAB Cn1ncc2c(N3CCN(Cc4cc(F)ccc4F)CC3)ncnc21 51382848 WIXCEOMXKJETDR-UHFFFAOYSA-N 344.369 1.964 0 40 EDAB Cc1csc(N2CCN(C(=O)NCCc3nc(C)no3)CC2)n1 101618262 ALRNNGAPCIFZNJ-UHFFFAOYSA-N 336.421 1.217 0 40 EDAB Cc1ccc([C@H]2C=C(C(=O)O)Nc3nnnn32)cc1Br 101675216 PDFMNJQEMUYMOA-SNVBAGLBSA-N 336.149 1.727 0 40 EDAB COc1ccc(C(=O)Nc2nc3nc(C)cc(O)n3n2)cc1OC 101682041 RHSQLRFIIAYTQM-UHFFFAOYSA-N 329.316 1.408 0 40 EDAB CCCCn1nc(C)c(/C=C/C(=O)N2CC[C@@H](C(N)=O)C2)c1Cl 41128858 ZUVNNLUCJPYYRT-BTDICHCPSA-N 338.839 1.992 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)c2ccc3[nH]cnc3c2)CC1 32907615 VJZJZDGXWXUEIP-UHFFFAOYSA-N 336.417 1.107 0 40 EDAB CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)[C@@H]1CC(=O)NC1=O 103390490 TVNLILCRSFKMMS-CQSZACIVSA-N 326.356 1.124 0 40 EDAB CC(C)n1nccc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 22288517 OPCCPQUPZRVXKI-PXAZEXFGSA-N 347.419 1.903 0 40 EDAB O=C(Cn1nc(-c2ccco2)oc1=O)N1CCO[C@H]2CCCC[C@H]21 53650179 VRDQCFIMGWSQEG-NEPJUHHUSA-N 333.344 1.266 0 40 EDAB O=C(CNC(=O)c1cccs1)Nc1ccc(-n2cncn2)nc1 23055511 FKRSLNTXRVBPST-UHFFFAOYSA-N 328.357 1.092 0 40 EDAB Cc1cnn(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)c1 71186501 KDSBOWWPUFUUEN-NSHDSACASA-N 327.310 1.906 0 40 EDAB CCOc1cc(C(=O)N2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)ccn1 78889608 NSBGWJLLDGUQHK-CYBMUJFWSA-N 345.403 1.936 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1nnc2ccccn12 78939992 MPPIISGUBMOYFL-NSHDSACASA-N 341.419 1.510 0 40 EDAB Cn1nnc2cc(CNCc3ccc(Cn4cncn4)cc3)ccc21 79093436 QOEAWECNFBQBJJ-UHFFFAOYSA-N 333.399 1.898 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 42535769 HCWYCOWTHNAVJS-UONOGXRCSA-N 330.388 1.533 0 40 EDAB Cc1c(NC(=S)NCCCN(C)C)c(=O)n(-c2ccccc2)n1C 2697288 JTGRJCFCYMNLPN-UHFFFAOYSA-N 347.488 1.723 0 40 EDAB O=C(NCC(=O)N1CCN(CCc2ccccc2)CC1)c1ccco1 23653741 MGYYVYFJNLMOFK-UHFFFAOYSA-N 341.411 1.396 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cccc3c(=O)[nH]nc(O)c23)cc1 3208607 QZYAPVMYLIOFNA-UHFFFAOYSA-N 331.353 1.738 0 40 EDAB O=C(CCN1C(=O)COc2ccccc21)N[C@H]1CCc2nccn2C1 97197907 QHCDILCOHYVVPE-ZDUSSCGKSA-N 340.383 1.130 0 40 EDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)cc2)C1 4137150 KCUTXXYCHGIZOJ-GFCCVEGCSA-N 341.385 1.349 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)COC)cc1 24061379 PGCUPUBBYUSPDD-GFCCVEGCSA-N 328.434 1.541 0 40 EDAB NS(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2c2ccccc2)CC1 24653709 ZOVJDEBNTCDCKM-HNNXBMFYSA-N 337.445 1.266 0 40 EDAB O=C(COC(=O)c1ccc(O)cc1)NC[C@H]1COc2ccccc2O1 7164960 SJEYNSYSESRBOS-AWEZNQCLSA-N 343.335 1.505 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN([C@H](C)C(=O)Nc3ncccn3)C2)n1 106783227 HHAJCNCZHMQRFN-DOMZBBRYSA-N 343.435 1.424 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)nn12 8394468 ASTQQJXQOZDFNY-WXHSDQCUSA-N 345.403 1.530 0 40 EDAB O=C(NC[C@H]1CCCO1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 25378599 MTPFETTZJODMIH-GFCCVEGCSA-N 329.356 1.757 0 40 EDAB CCN(CC)CCCNC(=O)Nc1cccc(-c2nnnn2C)c1 43937308 OXIRLDMYDKAGEO-UHFFFAOYSA-N 331.424 1.731 0 40 EDAB C[C@H]1[C@@H](c2ccccc2)C[C@H]1NCCS(=O)(=O)N1CCOCC1 108467433 DHKNORYQEFEDOC-BHYGNILZSA-N 338.473 1.430 0 40 EDAB COC[C@@H](C)NC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 57775570 XNENIBOTDWAWDW-SKDRFNHKSA-N 336.310 1.953 0 40 EDAB COc1ccc2c(c1)CCCN2S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 48290969 IAUITXGOADBOJI-CHWSQXEVSA-N 340.445 1.802 0 40 EDAB O=C(CN1C(=O)NC2(CCOCC2)C1=O)c1ccc2c(c1)CCCC2 57936439 VIXMHKSYXKTQIT-UHFFFAOYSA-N 342.395 1.849 0 40 EDAB O=C(CNC(=O)OCc1ccccc1)NC[C@@H](O)c1ccccc1 58298468 YBBUUEWGGDEJHC-MRXNPFEDSA-N 328.368 1.763 0 40 EDAB Cc1cc2n(n1)C[C@H](CNC[C@@H](O)COc1c(C)cccc1C)CN2 58299020 QKQIWIVQNGQQGN-IAGOWNOFSA-N 344.459 1.880 0 40 EDAB O=C(NCCOc1cccc(F)c1)c1cccnc1N1CCOCC1 27717351 XLRVRLHRPNTUMA-UHFFFAOYSA-N 345.374 1.866 0 40 EDAB CN1N=C(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CCC1=O 44940826 GEAFRLNPNRLUHK-UHFFFAOYSA-N 330.266 1.569 0 40 EDAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccccc1-n1cnnn1 58325541 SBJXYGQHIQCOMN-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB Cc1nc(-c2ccc(CNC[C@H](O)CN3CCOCC3)cc2)cs1 58327549 ASRFHPKVECAYIL-KRWDZBQOSA-N 347.484 1.901 0 40 EDAB COCCn1ccc(NC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)n1 58391530 VAZFGGTZEBTKRJ-LZWOXQAQSA-N 338.452 1.602 0 40 EDAB COc1ccccc1CNC(=O)c1nn(-c2ccccc2)nc1CO 21148980 DZTQFNVRCVUBIM-UHFFFAOYSA-N 338.367 1.698 0 40 EDAB O=C(OCCN1C(=O)c2ccccc2C1=O)[C@H]1Cc2ccccc2O1 10613428 IEMPDRMHGCGHSA-MRXNPFEDSA-N 337.331 1.830 0 40 EDAB CO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1ccc3c(c1)OCCCO3)CCO2 107720334 KATHMYRTJHLDAL-FRFSOERESA-N 333.384 1.866 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)N1CCc2ccccc21 36397801 ZPQBNRXCBDIPRP-DZGCQCFKSA-N 327.428 1.565 0 40 EDAB C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 52752892 DGCNRJULNFXOKP-LLVKDONJSA-N 348.366 1.545 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@H]1CCCCNC1=O 45666114 UDTLZSDQBYCENJ-OLZOCXBDSA-N 333.388 1.137 0 40 EDAB Cc1csc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)n1 29239566 IUKRKMHBCSYPKW-GFCCVEGCSA-N 347.375 1.649 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1ccc(Cn2ccnc2)o1 104108030 CORKGDMFDRXZAR-APYUEPQZSA-N 343.383 1.842 0 40 EDAB C[C@@H]1CN(C(=O)Cn2cnc3c(oc4ccccc43)c2=O)CCO1 29878355 GXVNANUAFHEGLA-LLVKDONJSA-N 327.340 1.390 0 40 EDAB CN(C)S(=O)(=O)c1ccc(OCCSCCC(=O)O)cc1 12895620 IBFCETZJCGUZRM-UHFFFAOYSA-N 333.431 1.524 0 40 EDAB Cc1cc(C)n(CCN2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)n1 95402306 KYNISVYUYQONLB-INIZCTEOSA-N 344.463 1.967 0 40 EDAB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)nnn3C)C1 409196673 RAXHCCZRDHUOAV-CQSZACIVSA-N 343.431 1.689 0 40 EDAB CN(C)c1nc(N)nc(CSCC(=O)N2CCc3ccccc32)n1 9156167 IMMVXNDCWVMXFP-UHFFFAOYSA-N 344.444 1.342 0 40 EDAB NC(=O)c1cc(OC2CCN(C[C@H](O)c3ccccc3)CC2)ccn1 93261213 RLRMBTKRJSXOFO-SFHVURJKSA-N 341.411 1.757 0 40 EDAB Cn1ncc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1-n1cccc1 71329025 BHBPQMDWSXJADC-RDTXWAMCSA-N 328.416 1.978 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(OCC3CC3)nc2)C[C@@H]1N1CCOCC1 72300416 LJTOOWPWLHIJNK-YOEHRIQHSA-N 345.443 1.663 0 40 EDAB CC[C@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 4063119 RFRWZPDOUDFVBI-ZDUSSCGKSA-N 333.340 1.719 0 40 EDAB biogenic CC(=O)c1ccc(NC(=O)C[C@H]2N=C(N3CCOCC3)N=C2O)cc1 13693330 QPCFWGFCWPOYAX-CQSZACIVSA-N 344.371 1.245 0 40 EDAB CC(C)CNC(=O)Cn1nnc(-c2ccc(Br)cc2)n1 5088101 FKZKPESJDNKEGS-UHFFFAOYSA-N 338.209 1.875 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCc1nc(-c2ccccc2)no1 65458621 LLKJQOHGIJODQK-JSGCOSHPSA-N 342.399 1.782 0 40 EDAB Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nccn1C 6370299 IQSWOOIXIVEHJX-UHFFFAOYSA-N 332.429 1.884 0 40 EDAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 4439780 QXGYFUUXHOMART-UHFFFAOYSA-N 340.426 1.925 0 40 EDAB COc1cc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)ccn1 65587353 GIQITIQYEJZYQG-STQMWFEESA-N 334.420 1.679 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)Nc1cc(F)cc(F)c1 65552432 CYLBDJNTDHPKHC-UHFFFAOYSA-N 347.325 1.986 0 40 EDAB Cc1noc([C@H](C)NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)n1 65501100 RESLQXKMEWEVLK-GWCFXTLKSA-N 346.412 1.771 0 40 EDAB CC(=O)N1CCC(NC(=O)NC[C@H](c2ccsc2)N(C)C)CC1 65626641 GSBNKQVAABSHHG-OAHLLOKOSA-N 338.477 1.661 0 40 EDAB CCn1nc(C(=O)O[C@H](C)C(=O)N2CCCC2)c2ccccc2c1=O 4525378 VUBILHMGMPQPKK-GFCCVEGCSA-N 343.383 1.584 0 40 EDAB CCCN(Cn1ncc2ccccc2c1=O)[C@H]1CCS(=O)(=O)C1 14254072 ICUVMEOHPDOCEQ-AWEZNQCLSA-N 335.429 1.253 0 40 EDAB CN1CCN(c2ccc(F)cc2NC(=O)N[C@@H]2C=C[C@H](CO)C2)CC1 97212794 PXKHPMYSCQJTIQ-DZGCQCFKSA-N 348.422 1.636 0 40 EDAB COCc1ccc(CNC(=O)C[S@](=O)c2ccc(C)cn2)cc1 97228165 YZUODELZNREZIE-HSZRJFAPSA-N 332.425 1.960 0 40 EDAB COc1ccc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1OC 6664341 MKSCOOTXZPAJBS-UHFFFAOYSA-N 341.323 1.486 0 40 EDAB CC(C)Cc1nc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)n[nH]1 96232088 KUQWMGPBEZSGAL-ZDUSSCGKSA-N 340.391 1.412 0 40 EDAB Cc1cccc(NC[C@H]2CCN(CCCN3C(=O)CNC3=O)C2)n1 97200544 VWVKJHAKIXFMSM-CQSZACIVSA-N 331.420 1.066 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 67139328 PKCBGQQGZLGMIG-NEPJUHHUSA-N 346.449 1.079 0 40 EDAB CCC(CC)NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 9499521 JVAURHDQBOBYPA-GOSISDBHSA-N 347.415 1.767 0 40 EDAB CNC(=O)c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2=O)nn1 90147940 LSEMXTPEQGEUQO-HNNXBMFYSA-N 339.399 1.439 0 40 EDAB C[C@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)NC(=O)NC1CC1 9466506 CZPWOHAQJCTSHA-QMMMGPOBSA-N 344.400 1.679 0 40 EDAB COC(=O)c1ccc(NC(=O)CCCN2C(=O)CN(C)C2=O)cc1 7667124 OZNLRCUUECHGOY-UHFFFAOYSA-N 333.344 1.086 0 40 EDAB C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(c3ccccc3)CC1)CS2 7609176 MMSFQSYBWMBQNJ-QAPCUYQASA-N 345.468 1.789 0 40 EDAB O=C(c1cccs1)N1CCN(C[C@H](O)COc2ccccc2)CC1 71815226 WEXXDZPUGGBXET-HNNXBMFYSA-N 346.452 1.946 0 40 EDAB CCCc1noc(CN(C)[C@H]2CCCN(Cc3noc(C)n3)C2)n1 71870512 NYUFNRXXOJREMA-ZDUSSCGKSA-N 334.424 1.810 0 40 EDAB C[C@@H](CNC(=O)C1=NO[C@H](c2ccccc2)C1)N1CCN(C)CC1 70003685 QPAOXJRUKTXYLR-YOEHRIQHSA-N 330.432 1.256 0 40 EDAB Cn1cnc2c1CCN(c1ncnc3c1c(Br)nn3C)C2 69491285 IEVRLMOFMZSTIS-UHFFFAOYSA-N 348.208 1.422 0 40 EDAB CC[C@H](C)[C@H](NC(=O)CCNC(=O)Cc1ccccc1)C(=O)OC 71892841 LHORXEAJCVCZMU-GUYCJALGSA-N 334.416 1.439 0 40 EDAB CCCN(C(=O)NCC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8429354 XTILNTHMSKQOAW-UHFFFAOYSA-N 345.403 1.113 0 40 EDAB O=c1[nH]c(=O)n(Cc2ccccc2)c2c1CN(C1CCCC1)CN2 19939318 BQJHYQWUJDWFFB-UHFFFAOYSA-N 326.400 1.713 0 40 EDAB O=C1CN(C(=O)[C@@H]2CCn3cncc3C2)CCN1CC1CCCC1 95436374 ZSNARALBSSBAGF-OAHLLOKOSA-N 330.432 1.307 0 40 EDAB CC(C)n1ccc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc21 95476268 JSRCPZBSDQGXSY-UHFFFAOYSA-N 349.456 1.940 0 40 EDAB COC(=O)c1cc(C(=O)N2CCN(C)CC2)n(-c2ccccc2)n1 69520249 JPDYMDUUCIZJQZ-UHFFFAOYSA-N 328.372 1.047 0 40 EDAB CCN(Cc1ccoc1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 71909458 FVCUXHWGFTXVOL-UHFFFAOYSA-N 334.397 1.776 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCN(C)c1ccccc1 69776866 GXOCZBMOPAZPNI-CVEARBPZSA-N 346.475 1.167 0 40 EDAB C1C[C@H](NCc2nnnn2C2CC2)CN(Cc2noc(C3CC3)n2)C1 69705973 IISUBXUNKYUIKI-LBPRGKRZSA-N 344.423 1.023 0 40 EDAB CN(C)C[C@@H]1CN(C[C@H](O)c2ccc(OC(F)(F)F)cc2)CCO1 69706161 MTIVXJUMKIYNNS-CABCVRRESA-N 348.365 1.881 0 40 EDAB O[C@@H](CN[C@H]1CCc2ncnn2C1)COCc1ccc(Cl)cc1 69742745 CKSMQRVOXJNXNN-GJZGRUSLSA-N 336.823 1.414 0 40 EDAB CCCCn1nnnc1CN1CCN(C[C@@H](O)c2ccccc2)CC1 69738585 MTQSGBIHFLFTRH-QGZVFWFLSA-N 344.463 1.324 0 40 EDAB CCN(Cc1cccc2c1OCO2)C(=O)C(=O)Nc1nccs1 69843896 IHZBPZUASKICBI-UHFFFAOYSA-N 333.369 1.859 0 40 EDAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCNC(=O)C3)cc12 8747749 AOODKRXHCBVEIC-UHFFFAOYSA-N 340.408 1.967 0 40 EDAB O=C([C@H]1CC=CCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8735090 LBEQZAWNUWBWNE-HNNXBMFYSA-N 334.441 1.876 0 40 EDAB O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCCN1 70862911 ICDRZPXRFWZJNB-AAEUAGOBSA-N 338.249 1.896 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc3ccccc3cc2O)C1 92771975 MLRLIZJWCMRANZ-AWEZNQCLSA-N 348.424 1.699 0 40 EDAB Cc1ccc(CC(=O)N2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)cn1 84191222 XNINYVBPAMOUQP-CQSZACIVSA-N 329.404 1.774 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CN2CCO[C@H](c3nc(C)n[nH]3)C2)c1 84146275 RMYYOXLBUCFTSW-WBVHZDCISA-N 346.431 1.543 0 40 EDAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCC(=O)O 408918284 IJNPJQAYKGYYIP-RUDMXATFSA-N 340.719 1.382 0 40 EDAB CCCNC(=O)CNc1ccc(CC(=O)N2CCSCC2)cc1 72296257 CQELDASQWRDLEV-UHFFFAOYSA-N 335.473 1.743 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cccn2Cc2cccnc2)CC1 72268879 ZFVQLWMQKCPHFQ-QGZVFWFLSA-N 342.443 1.460 0 40 EDAB Cc1nc(NC(=O)CCCN2CCN(c3ccccc3)CC2)n[nH]1 72286832 UUHUEBHHEYMXCC-UHFFFAOYSA-N 328.420 1.654 0 40 EDAB CC[C@@H]1CN(CC(=O)N[C@@H](C)c2ccccc2C)CCN1C[C@@H](C)O 72279679 KCBPDVAVYOULRB-FGTMMUONSA-N 347.503 1.949 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccccc2C)cc1 72281240 LNPGGTIEDHWVNH-INIZCTEOSA-N 348.424 1.367 0 40 EDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2c(C)nn(C)c2C)o1 72241036 WYTMACFHQOGTHX-INIZCTEOSA-N 344.415 1.746 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2)C1 95440029 RJBBVFZWXKBYOR-SMDDNHRTSA-N 344.864 1.669 0 40 EDAB Cc1cc(C(=O)NCCS(C)(=O)=O)c(C)cc1Br 95453994 ZGCAADIXESINJJ-UHFFFAOYSA-N 334.235 1.840 0 40 EDAB CCc1noc2ncc(S(=O)(=O)NCCc3cscn3)cc12 97139954 ZKDWDHAYGPARDZ-UHFFFAOYSA-N 338.414 1.763 0 40 EDAB Cc1cc(O)cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 95997831 HFROQBKZQLXBSS-IBGZPJMESA-N 340.423 1.850 0 40 EDAB CN1CCCC[C@H]1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 95956505 LQDZHVLTNTXEOA-INIZCTEOSA-N 331.416 1.582 0 40 EDAB C[C@H](CNC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)CN1CCOCC1 74371865 TXEOJLGXDGAEGB-MGNMYUMUSA-N 338.496 1.269 0 40 EDAB CC[C@@H]1CCCCN1C(=O)[C@H](C)NCC1CCN(CCO)CC1 75131178 XWBXZWJXELLZHT-DOTOQJQBSA-N 325.497 1.460 0 40 EDAB O=C1CC[C@H](NC(=O)COc2ccc(Cl)cc2Cl)C(=O)N1 89753842 ASVMJRJXCAOROW-VIFPVBQESA-N 331.155 1.294 0 40 EDAB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(CC(=O)OC)C1=O 408548939 NVGYKRMRQVVDNZ-XFFZJAGNSA-N 338.747 1.804 0 40 EDAB O=C1CC[C@H](C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)N1 89800401 AXVJXOIODZRAIB-CQSZACIVSA-N 344.411 1.664 0 40 EDAB CCOCCCNS(=O)(=O)CCC(=O)OCc1ccccc1 89986935 KJXTZHFQLFWNSP-UHFFFAOYSA-N 329.418 1.466 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCOc1ccccc1 25643824 HYBQRPMFBPPBBA-IYBDPMFKSA-N 342.395 1.523 0 40 EDAB C/C=C/C(=O)O[C@H](/C=C/[C@H](OC(C)=O)[C@@H]1CCC(=O)O1)[C@@H](C)O 31164382 CIDOIJYZSYZLQF-RXSLEKLZSA-N 326.345 1.049 0 40 EDAB biogenic,in-vitro COC(=O)c1ccc(C(=O)Nc2cccc3c(O)n[nH]c(=O)c23)s1 78780277 IQWKEQNHBPLEIY-UHFFFAOYSA-N 345.336 1.729 0 40 EDAB C[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1CNc1ncccn1 1039870942 MSJJGNHXSFEWIX-WCQYABFASA-N 342.403 1.114 0 40 EDAB CCn1cc([C@@H]2CN(C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)CCO2)cn1 189506805 DTSQQZXLOCKICW-LXZKKBNFSA-N 347.463 1.611 0 40 EDAB Cc1cc(CNC(=O)N[C@H](C)c2nnnn2-c2ccccc2)no1 522422510 UFWREYLBFVKYMT-LLVKDONJSA-N 327.348 1.519 0 40 EDAB O=c1cc([C@H]2CCN(Cc3cccnc3)C2)nc(N2CCCC2)[nH]1 72394662 BAYIBDOCVIXFOD-HNNXBMFYSA-N 325.416 1.755 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN1CC1(O)CCCCC1 72388667 PSNDBJIKWNHANM-LBPRGKRZSA-N 327.450 1.645 0 40 EDAB CN(CCN1CCOC1=O)[C@H]1CCN(c2ccccc2Cl)C1=O 78923099 UFXPETGRRJFMQN-AWEZNQCLSA-N 337.807 1.829 0 40 EDAB CCNS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 76997736 QSHPNPWLDJICMX-HOTGVXAUSA-N 338.473 1.969 0 40 EDAB O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccccc1C(F)(F)F 40386521 XDZJOKKXEATBGD-QMMMGPOBSA-N 339.277 1.894 0 40 EDAB Cc1noc(-c2cn(CCNC(=O)CCCc3ccccc3)nn2)n1 225584398 WYRHKAQYPHZTHG-UHFFFAOYSA-N 340.387 1.776 0 40 EDAB COc1ccccc1NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1 223038001 XZPUUKUBBRPHAB-UHFFFAOYSA-N 336.369 1.604 0 40 EDAB C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1c(F)c(F)cc(F)c1F 193829269 UFTREVXHBUTACO-QJWWWBAISA-N 333.328 1.288 0 40 EDAB O=C(/C=C/c1ccco1)NCC1CCN(S(=O)(=O)C2CC2)CC1 44003522 FCIMGOWGXNMYAY-ZZXKWVIFSA-N 338.429 1.613 0 40 EDAB CCOC[C@@H](O)Cn1cnc2cc(Br)ccc2c1=O 193810617 KGFWRZMMBWIESF-JTQLQIEISA-N 327.178 1.556 0 40 EDAB C[C@@H]1CCn2ncc(C(=O)NCc3cccc(S(N)(=O)=O)c3)c2C1 571923097 KZRNSTRVPFQEIF-LLVKDONJSA-N 348.428 1.043 0 40 EDAB C[C@H]1CN(CC(=O)NCCc2ccc3c(c2)OCCO3)C[C@@H](C)O1 44875077 DDDDTUVAPADLDH-OKILXGFUSA-N 334.416 1.226 0 40 EDAB CC(=O)N[C@@]1([C@@H](O)c2cccc(F)c2)C(=O)N(C)c2ccccc21 40266882 DSYJKWBIZGBCDJ-WMZOPIPTSA-N 328.343 1.867 0 40 EDAB CC(=O)N[C@H]1[C@H](c2ccccc2)N(C(=O)NC(C)C)CC[C@@]1(C)O 514288911 DBPQEJRAANLMTF-XYJFISCASA-N 333.432 1.807 0 40 EDAB biogenic,in-vitro O=C([C@H]1Cc2ccccc2CO1)N1CCC[C@@H](Oc2cccnn2)C1 225457300 PQNHGOPNVIAAPU-IAGOWNOFSA-N 339.395 1.988 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 96181927 VKACOPNLKIZSSK-NVXWUHKLSA-N 333.407 1.509 0 40 EDAB Cc1ccc(CN2Cc3nnn(C)c3[C@H](COCCN(C)C)C2)s1 96060666 FIKZXSJNBRLOSL-AWEZNQCLSA-N 349.504 1.863 0 40 EDAB Cc1ccccc1CNC(=O)N1C[C@H]2O[C@H](C[C@H]2C(=O)NC(C)C)C1 96252889 ILIYXJDHQRGKCW-BRWVUGGUSA-N 345.443 1.819 0 40 EDAB COC[C@@H]1CN(C(=O)c2cccc3c2OCCO3)Cc2cn(C)nc21 96044684 AWSYHEIDEMZGGC-ZDUSSCGKSA-N 343.383 1.577 0 40 EDAB Cc1nc(CCn2nnc(CN(C)C(=O)c3ccccc3)n2)cs1 96488986 NFMWMUAVBRJHAX-UHFFFAOYSA-N 342.428 1.953 0 40 EDAB CC(C)n1cc([C@]2(O)CCCN(CCOCC(F)(F)F)C2)nn1 583617944 MKHOYBDJFXPCPW-ZDUSSCGKSA-N 336.358 1.721 0 40 EDAB CC(=O)N1C[C@@H](NC(=O)c2cn(C)nc2C)CC[C@@H]1C(F)(F)F 583618812 OMTVORDNCWUXKH-CMPLNLGQSA-N 332.326 1.400 0 40 EDAB CN(C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@@H]1COC[C@H]1O 583651534 OONFXSMUPJQISM-RRFJBIMHSA-N 328.453 1.715 0 40 EDAB CC(C)CCN1C[C@@H]2[C@@H](C(=O)N3CCCC3)CCS(=O)(=O)[C@@H]2C1 96100664 LOTGLMTYEWZZRP-ARFHVFGLSA-N 342.505 1.390 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)N1CCN(Cc2ccon2)CC1 96439522 BFXZREKKNCCHFH-LBPRGKRZSA-N 346.435 1.613 0 40 EDAB COCC[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn21 247878615 PDYJGGHYOOAYBS-HNNXBMFYSA-N 343.383 1.774 0 40 EDAB CCn1cc(-c2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)cn1 257333322 YBCDNLRZMGAUNH-GFCCVEGCSA-N 335.433 1.499 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 257226903 FMRMSOBHYJMEQG-MRXNPFEDSA-N 332.448 1.898 0 40 EDAB CN(C)C(=O)c1cc(C[C@@H]2CCCN(c3ncccn3)C2)ncn1 257270900 MWCKWQVROATZML-ZDUSSCGKSA-N 326.404 1.428 0 40 EDAB COC[C@]1(C(N)=O)CCCN1C(=O)c1cc(F)c(F)c(F)c1F 585088487 FKFZCTPTOPAPNJ-AWEZNQCLSA-N 334.269 1.350 0 40 EDAB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(C3CCCCC3)C2=O)C1 250661702 FSAZJGLRHHTZQE-HIFRSBDPSA-N 336.432 1.722 0 40 EDAB C[C@]1(C(=O)N2CCC3(CCCCC3)C2)CN(S(C)(=O)=O)CCO1 257269947 MSBYEDDYVCMJEB-OAHLLOKOSA-N 344.477 1.220 0 40 EDAB O=C(CCn1nnc2ccccc21)N1CCO[C@H](c2cnccn2)C1 257326252 WWMJSGPFWIHUNC-INIZCTEOSA-N 338.371 1.212 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@]2(N)CN)cc1 252516231 QPHVQXMJYZQXFE-BRWVUGGUSA-N 334.416 1.730 0 40 EDAB CNc1cc([C@@H]2CCCN2C(=O)C(C)(C)n2cncn2)nc(C)n1 257300903 RWDSUFFWWFIFMZ-ZDUSSCGKSA-N 329.408 1.517 0 40 EDAB CCCS(=O)(=O)NCCc1csc(-n2nc(C)cc2C)n1 85473566 LXOKTDLBGXSYFR-UHFFFAOYSA-N 328.463 1.818 0 40 EDAB Cn1nccc1-c1ncccc1C[C@H]1CCCN(S(C)(=O)=O)C1 257290409 QCVNIRPFYGNQBU-CYBMUJFWSA-N 334.445 1.696 0 40 EDAB CCc1ccccc1-n1cc(C(=O)N2CCN(CCF)CC2)nn1 1615586936 SSIBXPZDDMASCQ-UHFFFAOYSA-N 331.395 1.557 0 40 EDAB N[C@]12CC[C@H]1CN(C(=O)c1cnn3cccc(Br)c13)C2 1615546999 RLDFLQZNWGPNEJ-XPTSAGLGSA-N 335.205 1.660 0 40 EDAB CCOc1ccc([C@H](C)NC(=O)C[C@H](O)CN(C)C)cc1OCC 1615585764 DQOZSYFKMKBQKA-ZFWWWQNUSA-N 338.448 1.974 0 40 EDAB Cc1cc(C(=O)Nc2cnn(CC(=O)O)c2)c2c(C)nn(C)c2n1 647744755 IXHNSNZPXJOKTB-UHFFFAOYSA-N 328.332 1.119 0 40 EDAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2ccnn21 585112680 SRUGSUDTBMKIIA-CQSZACIVSA-N 348.428 1.073 0 40 EDAB CC(C)CC(=O)N1CCn2cc(CC(=O)NCC3CC3)nc2[C@H]1C 585096358 JYSZZLBBLIUCKN-CYBMUJFWSA-N 332.448 1.901 0 40 EDAB Cc1noc(CC(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2)n1 585097280 JOOUMRJFXKCVCR-AWEZNQCLSA-N 344.419 1.014 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccccn2)C1 585095802 LUQIWFRUWGWEIX-INIZCTEOSA-N 341.415 1.668 0 40 EDAB CNc1nc(C2CCN(C(=O)C(C)C)CC2)nc2c1CN(C)CC2 72372162 WCAWVSDEUMTLRM-UHFFFAOYSA-N 331.464 1.868 0 40 EDAB Cc1ccccc1CN1CCCN(C(=O)Cn2ccccc2=O)CC1 71843084 CFCWPNWKHPZHKG-UHFFFAOYSA-N 339.439 1.891 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H]1CCS(=O)(=O)C1 44720501 NDVHPNXOWKKWHQ-AWEZNQCLSA-N 347.440 1.654 0 40 EDAB CCCNC(=O)CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 77522532 GKFBJWNRVQDWAY-INIZCTEOSA-N 346.475 1.819 0 40 EDAB O=C1CCCN1c1ccc(CNS(=O)(=O)c2cccnc2)cc1 79896967 GQDWFAPDZQAZCI-UHFFFAOYSA-N 331.397 1.687 0 40 EDAB CCC[C@H]1NC(=O)N(CC(=O)Nc2cc(C)nn2C(C)(C)C)C1=O 85259761 NDAHDOYDGQYGCM-LLVKDONJSA-N 335.408 1.606 0 40 EDAB O=C(Cn1cnc(-c2ccccc2)n1)OCC(=O)N1CCCCCC1 97230120 VJBQFPYULOHHPH-UHFFFAOYSA-N 342.399 1.891 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CC[C@@H](Oc2nccs2)C1 585320362 XOXGBBYIYDJMDE-RISCZKNCSA-N 332.381 1.963 0 40 EDAB CCCN[C@@H](C)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 573918427 IMNTTWYKCHWRLA-LBPRGKRZSA-N 331.424 1.186 0 40 EDAB O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1NCC1CC1 1549161072 KAIVMXAVAZECIS-GVDBMIGSSA-N 332.379 1.212 0 40 EDAB COCCC(=O)N1CCC(Nc2nnc(C(F)(F)F)s2)CC1 155968445 QOSOMENORWWZTH-UHFFFAOYSA-N 338.355 1.996 0 40 EDAB CCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)c1ccc2ncccc2c1 643586191 GDBWRNNXPVXVKX-OIISXLGYSA-N 330.384 1.065 0 40 EDAB O=C(Cn1c(NCCO)nc2ccccc21)NCc1ccc(F)cc1 5185395 CNEGQHGAHLNKBU-UHFFFAOYSA-N 342.374 1.896 0 40 EDAB O=C([C@@H]1CN(c2ncnc3c2CCCC3)CCO1)N1CCSCC1 1888847456 HHVAHVQGIUWZKU-HNNXBMFYSA-N 348.472 1.136 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2cnccn2)C3)nc1 1888873352 LNTQZILBCZUBRV-KBXCAEBGSA-N 339.399 1.896 0 40 EDAB Cc1nc(N2CCN(Cc3cnoc3C)CC2)cc(-n2cccn2)n1 1889139886 YWWAQHBXAINPCA-UHFFFAOYSA-N 339.403 1.589 0 40 EDAB O=S(=O)(NC1CCN(c2cnc3ccccc3n2)CC1)C1CC1 1259279067 KDHIYPYGRRSIHC-UHFFFAOYSA-N 332.429 1.680 0 40 EDAB O=C(C1CCCC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134151 GKJUOGOSFKIIMG-UHFFFAOYSA-N 340.431 1.497 0 40 EDAB CC[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCCN(Cc2ccccc2)C1 78548950 BJZJNOYWEOTUPX-DLBZAZTESA-N 329.444 1.636 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H]3CCOC3)CC2)s1 1565522733 YNSDRHNBLPZQTI-CYBMUJFWSA-N 330.475 1.542 0 40 EDAB Cc1cc(OC2CN(S(=O)(=O)CCc3ccccc3)C2)cc(=O)o1 206961704 UQCPIBUWVYOPOM-UHFFFAOYSA-N 349.408 1.584 0 40 EDAB Cc1c(C(=O)N2CC(Nc3ccncn3)C2)cnn1-c1ccccc1 618256801 XDHGMAKYWLTOIK-UHFFFAOYSA-N 334.383 1.907 0 40 EDAB O=C(CCCOCc1ccccc1)NCCN1CCCS1(=O)=O 50631100 CWAGUGOZRIOVRD-UHFFFAOYSA-N 340.445 1.135 0 40 EDAB O=S(=O)(NCCCn1cncn1)c1cccc(Cl)c1Cl 40515897 SZPRDJKPNNUQIG-UHFFFAOYSA-N 335.216 1.954 0 40 EDAB Cc1ccc2cc(C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)[nH]c2c1 40515933 VTHIKJLLTPXKKZ-CYBMUJFWSA-N 349.456 1.878 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)NCCC(=O)N1CCCC1 40523823 QCSQGVZGMXUMAR-UHFFFAOYSA-N 330.837 1.939 0 40 EDAB Cn1cc(CCCOC(=O)Cn2nc(-c3ccccc3)oc2=O)cn1 40555129 NXQVDQMGMMBVOS-UHFFFAOYSA-N 342.355 1.413 0 40 EDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)OCO2 40553687 NPHBIBBEBSIXIX-ZDUSSCGKSA-N 326.356 1.604 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCO2)N1CCO[C@@H]2CCCC[C@@H]21 41195023 SRJCDNAGVNYRJM-QWHCGFSZSA-N 325.386 1.747 0 40 EDAB O=C(NC[C@H](O)CN1CCOCC1)c1ccc(-c2ccc(F)cc2)o1 32819136 ZMLYBWVBYLHKOU-HNNXBMFYSA-N 348.374 1.509 0 40 EDAB CC(=O)N1CCC(NC(=O)CCc2ccc3c(c2)OCCO3)CC1 32845858 KTBVIRGXPGOCDE-UHFFFAOYSA-N 332.400 1.518 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)Cc2ccco2)c1 33208825 XVJFSVIXDDDHDU-LBPRGKRZSA-N 336.413 1.857 0 40 EDAB CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 378859 IEFWHUYDTYAWPZ-UHFFFAOYSA-N 332.335 1.020 0 40 EDAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccnc3)ccc21 428731 PUADBOBQRZLPBX-UHFFFAOYSA-N 345.424 1.859 0 40 EDAB COC(=O)CCN(CC(C)C)C(=O)c1ccc(CNC(C)=O)cc1 47482789 VOMRRUQDDUGUCV-UHFFFAOYSA-N 334.416 1.984 0 40 EDAB COC(=O)CC1(NCC(=O)Nc2cccnc2Cl)CCOCC1 79109476 KGXWJKQCPZPMCR-UHFFFAOYSA-N 341.795 1.375 0 40 EDAB CCCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 2029973 UQTDOKQLNYNWLR-UHFFFAOYSA-N 327.388 1.836 0 40 EDAB CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=O 2624786 KDWOQCZVSZICCJ-KWQFWETISA-N 338.351 1.884 0 40 EDAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCOCC1 54546174 CNSHMARNCFSWOT-HNNXBMFYSA-N 332.400 1.549 0 40 EDAB O=C(NCCC(=O)N1CCOCC1)[C@H]1CCCO[C@H]1c1ccccc1 54654278 RBFCHXNESNTAIQ-WMZOPIPTSA-N 346.427 1.519 0 40 EDAB Cn1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc21 1019750 LQQAHBSGUAGJTR-LLVKDONJSA-N 326.356 1.095 0 40 EDAB COc1ccc(CCN2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 24243733 NQVYGPJWTRINBX-HNNXBMFYSA-N 331.460 1.522 0 40 EDAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)NC3CC3)CC2=O)cc1 6081927 GSYKPYJOBWTWON-ZDUSSCGKSA-N 330.384 1.424 0 40 EDAB C[C@@H]1CN([C@H](C)CNC(=O)c2n[nH]c(=O)c3ccccc23)C[C@@H](C)O1 106056144 DWUVWVNBHNXRMS-JHJVBQTASA-N 344.415 1.151 0 40 EDAB CCn1nnnc1S[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 12534141 JPXPFCFNJSWFPG-CYBMUJFWSA-N 346.460 1.522 0 40 EDAB CN(CCc1ccccc1)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 106821811 MNLAJKYHGDPDTI-CWLKWCNXSA-N 338.407 1.495 0 40 EDAB COC(=O)COc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c(C)c1 55907741 GVQVQARLSZXEHE-CYBMUJFWSA-N 348.399 1.742 0 40 EDAB C[C@@H](NC(N)=O)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 56134674 ZQPKORVVHWNGKJ-SNVBAGLBSA-N 337.807 1.818 0 40 EDAB O=C([C@H]1Cc2ccccc2O1)N1CCN(Cc2cscn2)CC1 56249840 LPHZEWGOPAEACR-MRXNPFEDSA-N 329.425 1.791 0 40 EDAB Cc1cccc(N2CCN(CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)c1 12527535 AUZJABHZXDAZDW-IBGZPJMESA-N 342.443 1.795 0 40 EDAB C[C@H](NC(=O)c1ccn(C)c(=O)c1)c1ccc(S(C)(=O)=O)cc1 44610608 QQTGRMHWPZXAES-NSHDSACASA-N 334.397 1.280 0 40 EDAB COc1ccccc1[C@@H](c1nnnn1C(C)(C)C)N1CCOCC1 26438619 TVFSFARUSOKDBU-HNNXBMFYSA-N 331.420 1.858 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(C(N)=O)s2)c1 58159304 OFDNJSGEVGADIX-UHFFFAOYSA-N 328.357 1.290 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)C)cc1C(F)(F)F 58197387 XKFRELKCFHDCTK-SECBINFHSA-N 338.351 1.769 0 40 EDAB COc1cccc(N2CCN(CC(=O)Nc3cc(C)nn3C)CC2)c1 44891965 UFMZAKGOZXLZSM-UHFFFAOYSA-N 343.431 1.498 0 40 EDAB CCCN(CC(=O)OC)S(=O)(=O)c1cnc2onc(C)c2c1 58278442 XZGQNXWWMRFEKE-UHFFFAOYSA-N 327.362 1.105 0 40 EDAB CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCCO3)cc2F)CC1 58200834 YTWJGJAVXZSNQU-HNNXBMFYSA-N 335.423 1.876 0 40 EDAB O=C(C1=NO[C@H]2C(=O)N(c3ccc(O)cc3)C(=O)[C@H]12)c1ccccc1 100354477 VAVQXZLQAOPAGV-CZUORRHYSA-N 336.303 1.519 0 40 EDAB Cc1ccc(-n2cc(C(=O)N[C@H](C)CN3CCOCC3)nn2)cc1 44943488 MSIPGRWWYXMJLK-CQSZACIVSA-N 329.404 1.026 0 40 EDAB COc1cccc(C[C@@H](C(=O)NC[C@@H]2CCCO2)n2nnnc2C)c1 44948771 DQYGBGQOLRHHOT-HOTGVXAUSA-N 345.403 1.069 0 40 EDAB COC(=O)CNC(=O)Cc1ccc(NC(=O)NC2CCCC2)cc1 48158661 XJBNXLAQIGYTJE-UHFFFAOYSA-N 333.388 1.582 0 40 EDAB Ic1cnc(I)cn1 59032548 MMKAQOLNUBDHRF-UHFFFAOYSA-N 331.882 1.686 0 40 EDAB in-vitro O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cnccn1 10735407 RVNMVTQOYAKFON-UHFFFAOYSA-N 344.346 1.121 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 100472752 LXTAMYRTAKWGEL-RUDMXATFSA-N 345.138 1.765 0 40 EDAB CCOc1ccccc1NC(=O)CCn1cnc2c(cnn2C)c1=O 11467617 BXRSNZBEMVIPKU-UHFFFAOYSA-N 341.371 1.558 0 40 EDAB Cc1ccnc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1 29437715 MHHWEGLTHYYWGN-CQSZACIVSA-N 341.346 1.588 0 40 EDAB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NC[C@@H]1CCCO1 2664311 GSNWLVXXHQAXGY-HNNXBMFYSA-N 346.383 1.265 0 40 EDAB O=C(CCNC(=O)c1cnccn1)NCCc1c[nH]c2ccccc12 72325199 LQNSGCKCRBVFLD-UHFFFAOYSA-N 337.383 1.437 0 40 EDAB biogenic CCS(=O)(=O)c1ccccc1C(=O)NCc1ccnc(N(C)C)c1 48312786 MHUMJAUWRVTPNL-UHFFFAOYSA-N 347.440 1.871 0 40 EDAB CC[C@@H]1CCc2nc(NC(=O)CN(C)S(C)(=O)=O)sc2C1 46785571 OKYRNQPXMZDVNY-SECBINFHSA-N 331.463 1.488 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@@H](C)Cn3ccnc3)CC2)on1 47028730 XNYVNARFMFIMHG-AWEZNQCLSA-N 332.408 1.095 0 40 EDAB O=C(NCCCN1CCOCC1)c1ccc(N2CCCC2=O)cc1 20212778 ROQAXSMOOIHZCV-UHFFFAOYSA-N 331.416 1.266 0 40 EDAB COc1ccc(CC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 3406014 ZMDLUACHEYBKJU-UHFFFAOYSA-N 348.380 1.580 0 40 EDAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NC(N)=O)cc3c2C1 3533385 LVSJEDUDDHICRK-SECBINFHSA-N 329.356 1.644 0 40 EDAB COCCC(=O)N1CCC(NC(=O)Cc2ccc3c(c2)CCC3)CC1 178141098 KHMABPIXAYHBQH-UHFFFAOYSA-N 344.455 1.862 0 40 EDAB Cc1cc(CNCCN2CCCS2(=O)=O)ccc1Br 72738030 GBGRMKYZCIBGAD-UHFFFAOYSA-N 347.278 1.883 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O 5000075 XRJQVXLBCMZYHS-UHFFFAOYSA-N 327.315 1.478 0 40 EDAB COC(=O)[C@@H](CNC(=O)c1cn(C)nc1C)Cc1ccccc1F 95396711 IDJIFMJXONJDQZ-CYBMUJFWSA-N 333.363 1.629 0 40 EDAB C/C(NCc1ccco1)=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 4310163 SNCLOPXJQVGTOQ-QINSGFPZSA-N 339.351 1.922 0 40 EDAB Cc1ccc(-n2nc(CC(C)C)nc2C[C@H]2NC(=O)NC2=O)c(C)c1 65431219 ARDRXZLHQGGWBI-CYBMUJFWSA-N 341.415 1.833 0 40 EDAB O=C1OCC[C@@H]1Sc1nnc(N2CCCC2)n1Cc1ccco1 65493709 JVACZOOLBIWKIE-LBPRGKRZSA-N 334.401 1.927 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)N2CCN(CCc3cccs3)CC2)c1C 65518234 RFVGALZTAQXNNB-UHFFFAOYSA-N 346.456 1.449 0 40 EDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCCO1 14125047 IENHTDDKAQLHQQ-LBPRGKRZSA-N 341.205 1.991 0 40 EDAB CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1ccc2c(c1)OCO2 65611585 BCVDRCKXAAWHFR-GFCCVEGCSA-N 336.413 1.799 0 40 EDAB COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1 14240975 QTIVIOWBKOZOFI-KRWDZBQOSA-N 341.411 1.634 0 40 EDAB COc1ccccc1N1C[C@@H](C(=O)Nc2nnc(C)s2)CC1=O 6787419 XPEFQSRNNQJVAY-JTQLQIEISA-N 332.385 1.847 0 40 EDAB Cn1c(S)nnc1CNC(=O)C(=O)c1ccc(C(C)(C)C)cc1 66626056 ASARQCNSEDGATE-UHFFFAOYSA-N 332.429 1.900 0 40 EDAB CCCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 19796872 MZFZSULSNVHSGZ-KBPBESRZSA-N 331.459 1.016 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(NC(=N)N)S2)cc1Cl 4992872 MYTNEZTWXPZVDD-SECBINFHSA-N 339.808 1.458 0 40 EDAB CCOc1cccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 67582986 WMIQWZQLKNAZGP-CYBMUJFWSA-N 341.433 1.631 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccc(C(=O)OC)cc2)c2ccccc2O1 7252478 IWLXRUVZEVLNFA-KRWDZBQOSA-N 340.379 1.987 0 40 EDAB Cc1cccc(Cn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c1 7569864 ZSHRFXSHQKHPML-UHFFFAOYSA-N 349.456 1.878 0 40 EDAB CC(C)NC(=O)CN(C)CC(=O)NCCSCc1ccccc1 7796154 FYAJOQCCQVOIHO-UHFFFAOYSA-N 337.489 1.492 0 40 EDAB CC[C@@](C)(CO)NC(=O)CS(=O)(=O)CCCc1ccccc1 95444526 DNXDNPCRGPIIFT-INIZCTEOSA-N 327.446 1.311 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)Nc1cccc(CN2CCCC2=O)c1 69349359 MDLWQNNEORERHF-CYBMUJFWSA-N 342.403 1.611 0 40 EDAB CC1=NN(S(=O)(=O)c2cnn(C)c2C)[C@](O)(C(F)(F)Cl)C1 17071612 XBMRQGVKYHQLLU-SECBINFHSA-N 342.755 1.019 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)c1 69416100 UBPODNOFNGJEBH-GFCCVEGCSA-N 329.393 1.908 0 40 EDAB Cn1cc(C(N)=O)cc1C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 91758386 DVNHCPQFUHDPSV-RISCZKNCSA-N 349.337 1.350 0 40 EDAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCN(C(C)=O)CC2)n1 71831089 SDSZHERKYPCCQW-UHFFFAOYSA-N 342.399 1.494 0 40 EDAB C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CCC(=O)NC(N)=O 71897376 DEVNSURYLOBNKC-GXFFZTMASA-N 325.796 1.687 0 40 EDAB Cc1cccc(-c2noc(CNCC3CCN(CCO)CC3)n2)c1 69626417 LZNLMXYWAVVKFY-UHFFFAOYSA-N 330.432 1.839 0 40 EDAB Cc1cccc(S(=O)(=O)N(C)CC2CCN(C[C@@H](C)O)CC2)c1 178700569 VCXYXUUYMBSOAH-OAHLLOKOSA-N 340.489 1.708 0 40 EDAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(CCN2CCOC2=O)C1 69737188 JREQTBXOPMURNU-CQSZACIVSA-N 336.367 1.474 0 40 EDAB COC[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1 71921589 XUIJRYHHMXESPB-ZDUSSCGKSA-N 330.425 1.475 0 40 EDAB CC(C)[C@@H](NCC(F)(F)F)C(=O)OCC(=O)N1CCC[C@@H](C)C1 71922232 KCXDIYCBUFIFAW-DGCLKSJQSA-N 338.370 1.965 0 40 EDAB CCCCOC(=O)[C@@H](C)OC(=O)c1cccc(NS(C)(=O)=O)c1 71922238 USAZXFPFZMNUBN-LLVKDONJSA-N 343.401 1.947 0 40 EDAB CNC(=O)CN1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(C)c2)CC1 69843773 ULLDPMILCVTRIU-SJORKVTESA-N 329.444 1.425 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2CCCS(=O)(=O)N(C)C)c1 69969292 CIHYWFNNYNKTER-HNNXBMFYSA-N 328.482 1.328 0 40 EDAB CC1(C)C[C@H](NC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)CCO1 70666618 AMXGAQIDERYKNQ-GFCCVEGCSA-N 345.399 1.154 0 40 EDAB biogenic Cn1cnc(CNC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 92378907 DJATXCLFQHMFHP-ZDUSSCGKSA-N 343.387 1.633 0 40 EDAB Cc1ccc2nc(CN3CCN(C(=O)C(C)C)CC3)cc(=O)n2c1 18942019 PFCURIWGVRCXRM-UHFFFAOYSA-N 328.416 1.303 0 40 EDAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cnc2[nH]nc(C)c2c1 95461397 WKEMHILCGAWGPM-FVMDXXJSSA-N 333.392 1.118 0 40 EDAB CN1CC[C@H](NC(=O)COc2ccccc2Br)C1=O 97031913 GKXTVNVUYUATLR-JTQLQIEISA-N 327.178 1.175 0 40 EDAB CN(C)C(=O)N1CCC(NC[C@@]2(O)CCCc3ccccc32)CC1 97033017 UUFGMYPLQAKBTQ-IBGZPJMESA-N 331.460 1.946 0 40 EDAB CCOc1ccc(N2CCN(Cc3nccn3C(F)F)CC2)nn1 97082399 HBPGRFACOLEDRW-UHFFFAOYSA-N 338.362 1.789 0 40 EDAB NS(=O)(=O)CCNC(=O)CCCc1cccc(Br)c1 97015295 KMVJUGTUEYJITJ-UHFFFAOYSA-N 349.250 1.177 0 40 EDAB CC(C)(C)c1nc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)no1 97059089 RBLRIYSCTGLCOD-AWEZNQCLSA-N 343.431 1.716 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)C2)no1 72231965 NAEVMLYPUQGHJN-DZGCQCFKSA-N 341.367 1.866 0 40 EDAB COCCOc1cccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 72269532 XEYGCZKBVLNERA-MSOLQXFVSA-N 348.443 1.383 0 40 EDAB CNC(=O)CN1CCC(CN(C)C(=O)[C@H](C)c2ccccc2)CC1 97163595 HBBRYNWIEUVWIL-OAHLLOKOSA-N 331.460 1.707 0 40 EDAB O=C(C1CCCC1)N1CCN(C[C@H](O)COc2ccccc2)CC1 74209857 UQQZSBBUNIJEPK-KRWDZBQOSA-N 332.444 1.761 0 40 EDAB CN(C)S(=O)(=O)CCCN1CCC[C@H](c2noc(C3CC3)n2)C1 89319473 VDJDBYAMBBGKFN-ZDUSSCGKSA-N 342.465 1.408 0 40 EDAB COc1ccc(C(=O)N2CCCN(C(=O)NC(C)C)CC2)cc1OC 75042945 QAEJDQAUDOWTDA-UHFFFAOYSA-N 349.431 1.970 0 40 EDAB Cc1ccc(CNC(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)cn1 75121657 RMGLAMIFDBMIDC-UHFFFAOYSA-N 349.394 1.703 0 40 EDAB O=S(=O)(c1ccc2cn[nH]c2c1)N1CCN(Cc2ccon2)CC1 89808109 VJBIDRIEGMHXLP-UHFFFAOYSA-N 347.400 1.057 0 40 EDAB CCCC[C@H](C(=O)NCCn1cccc1)N1CCCS1(=O)=O 89950239 LOEDLDGQTGVDIU-CQSZACIVSA-N 327.450 1.199 0 40 EDAB CC(=O)N1CCN(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)CC1 89905106 CSGAMXWTOALBBO-CYBMUJFWSA-N 347.415 1.783 0 40 EDAB COc1cc(/C=C/C(=O)N2CCN(C)C[C@@H]2C)cc2c1OCCO2 89937702 YRONRJLZGUWOLK-IHVVCDCBSA-N 332.400 1.642 0 40 EDAB C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 75607229 SGOKUWGAQSTLJL-COXVUDFISA-N 344.459 1.592 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)cs1 75602711 NXYGECLGNTZUBS-LBPRGKRZSA-N 348.432 1.787 0 40 EDAB Cn1cc([C@H]2NC(=O)c3sc4ccccc4c3N2)c(=O)n(C)c1=O 76065204 ATYGDXJNTUWMPR-CYBMUJFWSA-N 342.380 1.153 0 40 EDAB Cn1nnc2c1CCN(C(=O)c1cnn(-c3ccccc3Cl)c1)C2 76092204 GYVRTZZRCNGWRN-UHFFFAOYSA-N 342.790 1.853 0 40 EDAB O=C(C1=NO[C@H](c2ccccc2)C1)N1CCC(Cc2nn[nH]n2)CC1 1548804136 GGWRVGFNOWKZQX-HNNXBMFYSA-N 340.387 1.498 0 40 EDAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 32611144 CNMFOSXPRAMORZ-IUCAKERBSA-N 339.339 1.075 0 40 EDAB COC(=O)c1cn(NC(=O)c2cc(C3CC3)on2)cc2c(O)nnc1-2 524733396 ODTXFMQOBXNGOA-UHFFFAOYSA-N 343.299 1.124 0 40 EDAB CC1(C)C[C@@H](NC(=O)CCN2C(=O)CC3(CCCC3)C2=O)CCO1 79483458 QUEMOCUYKDJOIX-ZDUSSCGKSA-N 336.432 1.770 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3ccoc3)no1)CC2 72661709 JXBMREKQUIIVBI-UHFFFAOYSA-N 346.368 1.540 0 40 EDAB COc1nn(C)cc1C(=O)Nc1nnc(COc2ccccc2)o1 61973994 OWNXHMRGHMVKDO-UHFFFAOYSA-N 329.316 1.643 0 40 EDAB CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccccc2)cc1 33766041 XKPCBOLXAJDIEU-UHFFFAOYSA-N 341.367 1.779 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCC[C@H](c2n[nH]c(=S)n2C)C1 78912000 PYYHNQPMSREDQC-NSHDSACASA-N 346.460 1.958 0 40 EDAB COCCC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 72341008 GELBLVGXXSKUGW-MRXNPFEDSA-N 340.383 1.935 0 40 EDAB CN(C(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C)[C@@H]1CCc2ccccc2NC1=O 70666599 KHTOPLGFWYEBPT-RDBSUJKOSA-N 330.384 1.755 0 40 EDAB biogenic CC(C)[C@@](C)(O)CNC(=O)c1cccc(CN2CCN(C)CC2)c1 74216304 MBCYJJAUOPEKRC-IBGZPJMESA-N 333.476 1.571 0 40 EDAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1nccs1)CS2 85473886 MEBLMIFABOZYQE-VIFPVBQESA-N 336.442 1.931 0 40 EDAB NC(=O)[C@@H]1CCCN(CCCNC(=O)C[C@@H]2CCc3ccccc32)C1 195530336 KKEWOAHSFBNUIX-DLBZAZTESA-N 343.471 1.810 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnn3)C2)s1 225419312 VKQSOQQBRLMCNW-LLVKDONJSA-N 325.415 1.689 0 40 EDAB CCN1CCN(c2ccc(NC(=O)C(F)(F)F)cc2C(N)=O)CC1 226279499 LGAWSRHFOFXTTF-UHFFFAOYSA-N 344.337 1.428 0 40 EDAB COCc1nc([C@H]2COCCN2C(=O)c2cccc(C(=O)O)c2)no1 577111106 WLWHWJRHGXOFSG-GFCCVEGCSA-N 347.327 1.128 0 40 EDAB CCCc1nnc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)o1 194811049 XRONGDAIZDWTIQ-UHFFFAOYSA-N 338.389 1.525 0 40 EDAB c1cnc(N2CCOC[C@]3(CCCN(CC4CCOCC4)C3)C2)nc1 96049527 HQHBAKLJVVGNBA-IBGZPJMESA-N 346.475 1.822 0 40 EDAB CN(C)C(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccc3c(c1)OCO3)C2 96038691 BQNXPVKWQHYWDH-SJLPKXTDSA-N 332.400 1.485 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3Cc2ccncc2)no1 96186399 HJLSHFCQXISCSC-HOTGVXAUSA-N 340.383 1.784 0 40 EDAB O=S(=O)(C1CC1)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 96109088 LHHHCOZLIUZSHJ-ABAIWWIYSA-N 342.392 1.040 0 40 EDAB COc1ccc([C@@H](C)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1F 90797565 QHXFYQGIPNMMHU-NEPJUHHUSA-N 330.425 1.766 0 40 EDAB Cc1cnc(C(=O)N2C[C@H]3OCC(=O)N(CC4CCCC4)[C@@H]3C2)cn1 96081638 CXZKWXJUJHECBS-HZPDHXFCSA-N 344.415 1.027 0 40 EDAB O=C([C@H]1CN(Cc2ccc(F)cc2)C[C@H]2OCC[C@H]21)N1CCCO1 97953652 HSIXAEAURABMSX-YESZJQIVSA-N 334.391 1.827 0 40 EDAB CCN(CC)C[C@H]1CN(C(=O)Cc2ccccn2)Cc2nccn2C1 96188286 QLWIABBYEYOZPF-MRXNPFEDSA-N 341.459 1.821 0 40 EDAB Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2C(=O)c2ccoc2)cn1 96200960 LULPJZWVNCDFRO-SJORKVTESA-N 344.415 1.171 0 40 EDAB COC[C@@H]1CN(C(=O)c2cc(C)on2)Cc2ncn(CC3CC3)c21 96045084 VISUCBAJXZARFN-ZDUSSCGKSA-N 330.388 1.976 0 40 EDAB c1cnc(N2CCC3(CC2)CN(Cc2nccs2)CCO3)nc1 96158860 SBWCDDDLSXDZEZ-UHFFFAOYSA-N 331.445 1.805 0 40 EDAB O=C(c1ccccn1)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 96048720 LAOUJYWGLQYGIQ-SFHVURJKSA-N 337.383 1.531 0 40 EDAB CC(C)(C)CN1CCC[C@H](N2CC[C@@H](c3cc(O)nc(O)n3)C2)C1=O 583652015 YAORBJZYGYYOET-OCCSQVGLSA-N 348.447 1.714 0 40 EDAB Cc1noc(C)c1CN1C[C@@H]2C[C@H](C1)CN2S(=O)(=O)C1CC1 96252253 KGDWDBGSXODAKL-OLZOCXBDSA-N 325.434 1.290 0 40 EDAB COCCNC(=O)CCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 95397809 QWWILRQFFUMSME-QWRGUYRKSA-N 326.343 1.337 0 40 EDAB Cc1cccc(NC2CCN(S(=O)(=O)c3cn[nH]c3C)CC2)n1 96421252 DWPBDZZTOSXILQ-UHFFFAOYSA-N 335.433 1.687 0 40 EDAB C[C@H]1C[C@@H](NC(=O)CNCC(F)(F)F)C(=O)N1c1ccccc1 96426789 DPYZVCNFMAOSSA-CMPLNLGQSA-N 329.322 1.449 0 40 EDAB COCCN(C)c1nc(C2CCN(C(C)=O)CC2)cc2c1ncn2C 96155601 IMRGYAIZUPFFFE-UHFFFAOYSA-N 345.447 1.777 0 40 EDAB O=C(Nc1nccc(F)c1I)[C@H]1CCCO1 585126397 YGYJEHPESHRYDU-SSDOTTSWSA-N 336.104 1.943 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N2CCS[C@H]2C(F)(F)F)c[nH]1 585129181 AJBUMLMBBXSUQO-VIFPVBQESA-N 344.336 1.427 0 40 EDAB CCSCc1ccc(C(=O)N2CCOC[C@H]2c2nn[nH]n2)cc1 585134130 FOAHNZNFOLZFEE-ZDUSSCGKSA-N 333.417 1.667 0 40 EDAB CCCCNS(=O)(=O)c1cccc(NC(=O)CC2COC2)c1 585121150 HFCWLVXWNGOPRD-UHFFFAOYSA-N 326.418 1.740 0 40 EDAB CN1CCN(C(=O)C2CCN(C(=O)Cc3ccccc3)CC2)CC1 242823313 FMCMIFMLQCPWHT-UHFFFAOYSA-N 329.444 1.242 0 40 EDAB CN(CC(C)(C)C(=O)NCc1ccccc1Cl)[C@@H]1COC[C@H]1O 585117545 KFMMJSPAEKEFRU-HUUCEWRRSA-N 340.851 1.674 0 40 EDAB COc1cc(CCC(=O)N2CCOC[C@@H]2c2cc(O)nc(C)n2)on1 257288670 PVCWSULYTNJORG-CYBMUJFWSA-N 348.359 1.020 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1COCCN1CCc1ccccc1 257311655 UKMTVWGRLZXUES-AWEZNQCLSA-N 335.429 1.429 0 40 EDAB O=C(CCCc1cn[nH]c1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257320373 VWNRYZWOISSORF-HZPDHXFCSA-N 333.363 1.522 0 40 EDAB CNc1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)cn2nccc12 257231118 GFIMYUNYKSRZKI-GFCCVEGCSA-N 337.387 1.581 0 40 EDAB CC(C)c1cc(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)on1 257206943 BFOXDCWTMWBNMH-KRWDZBQOSA-N 345.403 1.349 0 40 EDAB C[C@H]1CN(Cc2ccc(OCC(=O)N3CCCC3)cc2)CC[C@H]1O 253601657 CVZZLBCUNSFKJF-MAUKXSAKSA-N 332.444 1.891 0 40 EDAB Cc1nc2ccc(C(=O)N[C@@H]3CCC[C@@H](N4CCCC4)[C@@H]3O)cc2[nH]1 257257588 KQHKLXGQEUAXTA-KBAYOESNSA-N 342.443 1.979 0 40 EDAB Cc1ccoc1Cn1nnnc1N1CCC2(CCNC(=O)O2)CC1 1616032695 HPZLCAFTEDZZRS-UHFFFAOYSA-N 332.364 1.092 0 40 EDAB CN1CCOC[C@H]1C(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 390834998 ALXVVTPIDSREDH-OALUTQOASA-N 340.423 1.834 0 40 EDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 563351709 NBVLCVGFQCTFAQ-FAAHXZRKSA-N 339.413 1.342 0 40 EDAB O=C(NC1CCC1)[C@H]1CN(C(=O)Cc2ccccc2)[C@@H]2CCO[C@H]12 585109350 LODOIDPBKVZIHF-LZLYRXPVSA-N 328.412 1.514 0 40 EDAB O=C(CCCn1cccn1)N1CC[C@](O)(COc2cccc(F)c2)C1 585270840 BSEGDQRAGUKZKX-GOSISDBHSA-N 347.390 1.845 0 40 EDAB CCCOc1cccc(NCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 29641569 RNBOUXVRBTUTAQ-ZDUSSCGKSA-N 326.418 1.191 0 40 EDAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCC1CC1 29792272 VPLPFSGHSUYOKO-UHFFFAOYSA-N 325.386 1.148 0 40 EDAB CN(C)S(=O)(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 69739969 XRDUONKKERMQEQ-LBPRGKRZSA-N 331.825 1.184 0 40 EDAB CCc1cnc(OC2CCN(C(=O)NC3CCOCC3)CC2)nc1 1776001912 RSTOYMRRXRBVFL-UHFFFAOYSA-N 334.420 1.771 0 40 EDAB O=C(NCCNc1nc2ccccc2s1)N[C@@H]1CCCCNC1=O 48235547 PWLDUEBGTVGHEU-GFCCVEGCSA-N 347.444 1.676 0 40 EDAB CCO[C@@H]1CCCN(C(=O)C2(NS(C)(=O)=O)CCCCC2)C1 58423913 VDCVFPPICXBKMX-CYBMUJFWSA-N 332.466 1.266 0 40 EDAB O=C(NCCN1CCOCC1)N1CCC[C@@H]1Cc1cccc(F)c1 56781530 IPQGHCXYDNSZFE-QGZVFWFLSA-N 335.423 1.874 0 40 EDAB COc1ccc(C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 74969968 DNJBBKKNUOGGCP-UHFFFAOYSA-N 340.445 1.452 0 40 EDAB O=C(c1cc(=O)c2ccccc2o1)N1CCN(C[C@H](O)C2CC2)CC1 85436673 MHSQFBAXDKBWQK-INIZCTEOSA-N 342.395 1.322 0 40 EDAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)C12CNC2 1549174752 QEYYJSQGUQSOHG-INIZCTEOSA-N 327.428 1.599 0 40 EDAB Cn1cnc(C(=O)N[C@@](C)(Cn2cnc3ccccc32)C(=O)O)c1 1616034379 DMELGPKITSECNA-INIZCTEOSA-N 327.344 1.043 0 40 EDAB Cc1ccc(Cn2nnc3c(O)nc(C(=O)NC(C)(C)C)nc32)cc1 5059028 DJWXCNKZFSNZAS-UHFFFAOYSA-N 340.387 1.812 0 40 EDAB COCCCNC(=O)C1CCN(c2nc3ccccc3n2C)CC1 12116320 IMSLHRHIEXTBSI-UHFFFAOYSA-N 330.432 1.942 0 40 EDAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3ccnn3C(C)C)C[C@H]21 12120139 SDRORZZGPOGIHR-OCCSQVGLSA-N 341.415 1.658 0 40 EDAB Cc1ccc(-c2cc(CC(=O)NCCN3CCOCC3)no2)cc1 12862521 CLKWVLLSJKRPSL-UHFFFAOYSA-N 329.400 1.641 0 40 EDAB CC[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(OC)cc1 19500479 JDOCRYKXHCJLRY-CYBMUJFWSA-N 333.388 1.593 0 40 EDAB CNc1cc(CN(C)C(=O)c2ccccn2)nc([C@H]2CCCN2)n1 19760706 AUJJFHPMDRFOCO-CYBMUJFWSA-N 326.404 1.610 0 40 EDAB Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(C)CC(F)F 154401063 GIJCMXNTNLKLKI-UHFFFAOYSA-N 332.372 1.872 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)n1 1848352297 QVPMGFGMXJQLHH-OAHLLOKOSA-N 325.372 1.819 0 40 EDAB COCc1c(C(=O)OCC(=O)N2CCCC2=O)oc2ccccc12 5199661 JBRUZNBNVCUINA-UHFFFAOYSA-N 331.324 1.885 0 40 EDAB CN(C1CCN(c2ncnc(C3CC3)c2F)CC1)S(C)(=O)=O 1888844265 NCXNUYVVDPHIGB-UHFFFAOYSA-N 328.413 1.353 0 40 EDAB CCc1ncnc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1F 1888847476 IFNYJAXIFVPCMA-BETUJISGSA-N 340.358 1.804 0 40 EDAB CCc1nc(N2C[C@@H]3CN(C(=O)C4CC=CC4)C[C@H]3C2)nc(O)c1F 1888849895 HGULYFYASQWPEL-STQMWFEESA-N 346.406 1.745 0 40 EDAB Cc1cc(N2CCN(c3ncncc3F)CC2)nc(N2CCCC2)n1 1889077187 BWIBDALECQZKOG-UHFFFAOYSA-N 343.410 1.641 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(c2ncnc3sccc23)C1)C1CC1 1889119404 PEHBKQOREKJUAB-SNVBAGLBSA-N 338.458 1.742 0 40 EDAB COc1cc(C(=O)N2C[C@H]3CCN(c4ncccn4)CC[C@H]3C2)on1 2056224629 MSJJWARZIWUKDN-BETUJISGSA-N 343.387 1.462 0 40 EDAB COc1ccc(OC)c(NC(=O)CSc2cc(C)[nH]c(=O)n2)c1 4314626 UITCGNVUVJCKRY-UHFFFAOYSA-N 335.385 1.826 0 40 EDAB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)N(C)C 10331161 DCYGAIFXPWPAPG-ZDUSSCGKSA-N 331.372 1.646 0 40 EDAB Cc1cc(-c2nnc(NC(=O)c3ccc4c(c3)OCO4)o2)n(C)n1 13615024 UTCKQFSRUDCDEP-UHFFFAOYSA-N 327.300 1.760 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCc3onc(C(=O)NC(C)C)c3C2)no1 2055738616 CEYDQGJRENOBGH-JTQLQIEISA-N 332.360 1.397 0 40 EDAB CCN1C[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](C)CC3)C2)OCC1=O 2055785510 NUVDPOXXLCGJFG-IIDMSEBBSA-N 338.448 1.289 0 40 EDAB CC(C)NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1 40116261 VTOSPLKYMZLYBI-UHFFFAOYSA-N 331.460 1.724 0 40 EDAB CC[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CCO1 40497518 IBKMXAAPMOVZHM-OAHLLOKOSA-N 338.429 1.478 0 40 EDAB CC(=O)Nc1nc(C(=O)NCCOc2ccc3c(c2)OCO3)cs1 40541384 WIZSDNLQQIYSOE-UHFFFAOYSA-N 349.368 1.639 0 40 EDAB O=C(CCC(=O)N1CCOCC1)NCCOc1cccc(Cl)c1 40535132 WZPZILISQFJQCT-UHFFFAOYSA-N 340.807 1.474 0 40 EDAB Cn1cc(C(=O)NC2CCN(Cc3noc(C(C)(C)C)n3)CC2)cn1 40540602 GBUOLFHTICYVMK-UHFFFAOYSA-N 346.435 1.495 0 40 EDAB CCC[C@@H]1NC(=O)N(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C1=O 51290182 XKUMMMFHGUDHNH-KGLIPLIRSA-N 344.415 1.735 0 40 EDAB O=C(N/C(=C/c1ccco1)C(=O)N1CCOCC1)c1ccccc1 269161 QXVAJZPBNHIOOY-DTQAZKPQSA-N 326.352 1.909 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)Cc2noc3ccccc23)C1 32268639 UYMGWAURHMJQIA-AWEZNQCLSA-N 331.416 1.843 0 40 EDAB CCN(C(=O)CN1CCC(N2CCNC2=O)CC1)C1=CCCCC1 52216332 AHGRDVBWRYKSNJ-UHFFFAOYSA-N 334.464 1.782 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc2ccccc2[nH]1 102276860 RJTTUJDDUGOVSG-NBLIUIFLSA-N 336.351 1.309 0 40 EDAB CN(Cc1ccc(Br)o1)C(=O)[C@H]1CCS(=O)(=O)C1 41382962 PTOZDFAAECFYEU-QMMMGPOBSA-N 336.207 1.435 0 40 EDAB Cc1cccc(Cn2cnc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)c1 103155313 VUUDZOQXRNXWAO-TUVASFSCSA-N 338.367 1.302 0 40 EDAB Cc1occc1C(=O)N[C@@H](C)c1ccc(-n2cc(C(N)=O)nn2)cc1 53130992 RDDQZEDOCHMGNE-JTQLQIEISA-N 339.355 1.759 0 40 EDAB Cc1cc(OCC(=O)NCCc2ccc(-n3cccn3)cc2)no1 22683619 KEXJKONAMUSHAE-UHFFFAOYSA-N 326.356 1.906 0 40 EDAB CC(C)Cn1ncc2cc(C(=O)N3CCCN(C(N)=O)CC3)cnc21 104379923 TVJJGXSZEKSRAW-UHFFFAOYSA-N 344.419 1.314 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCCc2ccsc2)ccc1O 42373893 UKYIXWGCRDRUOQ-UHFFFAOYSA-N 327.383 1.673 0 40 EDAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(O)cc2)n2nnnc2N1 65590 IXGKZILEWCAIMO-HNNXBMFYSA-N 349.354 1.701 0 40 EDAB CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCN(C)C2 206915 UMOPACPHAGHNMH-UHFFFAOYSA-N 340.401 1.716 0 40 EDAB O=C(NC[C@@H]1CCOC1)NC[C@@H](c1cccs1)N1CCOCC1 47742639 ZUOSBHUBXUJTIQ-KBPBESRZSA-N 339.461 1.457 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)CC1 104617204 PTSYEASAIZWFBC-AJNGGQMLSA-N 337.489 1.373 0 40 EDAB CCCn1nc2c(cc1=O)CN([C@H](C)C(=O)Nc1cc(C)no1)CC2 78931503 YAKDWBZPOHBNFV-GFCCVEGCSA-N 345.403 1.335 0 40 EDAB CCc1sc(C(=O)NCC(=O)N(C)Cc2cnn(C)c2)cc1C 24482032 DTTDYOYJTIKHOW-UHFFFAOYSA-N 334.445 1.741 0 40 EDAB CC[C@H](C)NC(=O)c1cnc(NS(=O)(=O)c2ccccc2)nc1 6553225 YHQJEBOVSCUBMZ-NSHDSACASA-N 334.401 1.806 0 40 EDAB Cc1c(O[C@H](C)C(=O)NCCCO)ccc2c3c(c(=O)oc12)CCC3 6658779 VEXJKZWDCPZPRQ-GFCCVEGCSA-N 345.395 1.856 0 40 EDAB Cc1csc([C@H]2CCCN(C(=O)CN3CCC(=O)NC3=O)C2)n1 72298744 ODUNOMOSHHDGGX-NSHDSACASA-N 336.417 1.099 0 40 EDAB O=C(CN1CCCC[C@H]1CCO)NCCc1c(F)cccc1F 72275088 LIEJZWDVIANLNT-ZDUSSCGKSA-N 326.387 1.860 0 40 EDAB CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)O 1576110 CWMXJBNCYBDNTJ-TZMCWYRMSA-N 336.388 1.917 0 40 EDAB CN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 8253919 DQPPQAAUUJYYLY-KFWWJZLASA-N 340.431 1.139 0 40 EDAB biogenic,in-vitro COCc1ccccc1CNC(=O)CN1CCC[C@H]1c1noc(C)n1 84280871 FXSAXVZPLCFAEU-INIZCTEOSA-N 344.415 1.978 0 40 EDAB CC1(C)Cc2ccc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)c(O)c2O1 107578689 FXCWTMUFQAJIBT-KBPBESRZSA-N 346.427 1.699 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3ccsc3)CC2)C1 108532167 WTLSISNWKNODTJ-UHFFFAOYSA-N 328.459 1.682 0 40 EDAB CNC(=O)Cn1cc(NC(=O)CN[C@@H]2CCCC[C@H]2C(C)(C)C)cn1 95394084 YLOGDGGJLDRORN-HUUCEWRRSA-N 349.479 1.762 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCCO2 44720014 NHYAFIPOIHYOSY-LLVKDONJSA-N 325.386 1.012 0 40 EDAB CCSCCOC(=O)c1ccc2c(c1)S(=O)(=O)N(CC)C2=O 58168597 RXFONYBUSDFBBP-UHFFFAOYSA-N 343.426 1.761 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CCS(=O)(=O)C1 12614408 RVMSVWIRAPTJNW-ZDUSSCGKSA-N 333.413 1.406 0 40 EDAB CCOc1ccccc1C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103110950 KMBNQASMEILRAN-LWWSYDQCSA-N 326.352 1.537 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)CSc3ccc(F)cc3)CC2)N1 44894554 ZQFOQQJXUBSUBM-UHFFFAOYSA-N 337.376 1.118 0 40 EDAB C[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)N1CCOCC1 58278947 ATPUFIGPEHXJBC-VXGBXAGGSA-N 340.807 1.471 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCCc3ccccn3)CC2)on1 48230579 HBJBLALDIBNNLJ-UHFFFAOYSA-N 329.404 1.448 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC[C@@H]2CCS(=O)(=O)C2)o1 44908488 RMZFGPBPQWKDPT-MBNYWOFBSA-N 325.430 1.887 0 40 EDAB O=C(O)COCC(=O)NCc1cccc(COCc2ccco2)c1 44980358 LRNGHTRILCYKDY-UHFFFAOYSA-N 333.340 1.714 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)NCc1ccnc(-n2cccn2)c1 48263723 RWCBUKDJXBAJPI-OAHLLOKOSA-N 329.404 1.835 0 40 EDAB Cn1cc(C(=O)NC2CCN(C(=O)Cc3cccs3)CC2)cn1 48289152 WHJPDNLLFJGPKE-UHFFFAOYSA-N 332.429 1.445 0 40 EDAB COc1c(CNCCC(=O)N2CCc3sccc3C2)c(C)nn1C 58343026 WGCKZQZLMQJQCS-UHFFFAOYSA-N 348.472 1.863 0 40 EDAB CCNC(=O)N1CC[C@H](NC(=O)NC[C@H]2C[C@@H]2c2ccccc2)C1 84791038 AJBAZRPWHODWBG-OWCLPIDISA-N 330.432 1.893 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c1 3368496 YJDZIEAYNFYYAU-UHFFFAOYSA-N 343.368 1.666 0 40 EDAB CN(C(=O)NCc1ncc(-c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1 48331635 OZWVDCJZMWTUTB-CYBMUJFWSA-N 349.412 1.670 0 40 EDAB Cn1c(CN(Cc2ccco2)Cc2ccco2)cc(=O)n(C)c1=O 56635892 MGNHXMBDJMHUBL-UHFFFAOYSA-N 329.356 1.472 0 40 EDAB COC(=O)c1sc(Cl)cc1S(=O)(=O)NC[C@@H]1CCCO1 59842295 ASSWPJMKALABLL-ZETCQYMHSA-N 339.822 1.645 0 40 EDAB CC(C)Cc1noc(CN2CCc3cc(S(N)(=O)=O)ccc32)n1 22532853 GXBLWHUBZKMUGK-UHFFFAOYSA-N 336.417 1.478 0 40 EDAB CS(=O)(=O)Nc1cc(Cl)c(I)cn1 97164249 ZNPQJYAQSXIJQQ-UHFFFAOYSA-N 332.550 1.711 0 40 EDAB NC(=O)c1cnc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)s1 97166535 FHOHWRBPZTZVPK-UHFFFAOYSA-N 341.352 1.040 0 40 EDAB COCC(=O)N1CCN(C(=O)NC[C@@H]2CCCc3ccccc32)CC1 46937998 JKSQPTZVMWXVNV-INIZCTEOSA-N 345.443 1.607 0 40 EDAB CC(C)(CO)NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 12893882 RPMZFMUXWOCPII-UHFFFAOYSA-N 337.372 1.402 0 40 EDAB biogenic COc1cccc(CNCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 48783270 QKTDZLPXGYRSPD-ZIAGYGMSSA-N 342.461 1.224 0 40 EDAB Cc1ccc(CNCc2ccc(C(=O)N3CCNC(=O)C3)cc2)o1 48716997 MORQTWGEAGUIHZ-UHFFFAOYSA-N 327.384 1.450 0 40 EDAB CC[C@@H](C)[C@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007687 BWYOOKXQVRTMRE-PSASIEDQSA-N 326.340 1.786 0 40 EDAB Cc1ccc(N2CN(CCCO)Cn3c2nc(C)c(C)c3=O)cc1 38829881 KBHFZTXEAZZFBC-UHFFFAOYSA-N 328.416 1.920 0 40 EDAB O=C(NCc1ccccc1)C(=O)Nc1ccc(Cn2cncn2)cc1 13693105 YIUKTIDUTAUEFA-UHFFFAOYSA-N 335.367 1.581 0 40 EDAB O=C(NCCc1ccccc1)C(=O)Nc1ccc(Cn2cncn2)cc1 13729508 MJDDWYDOMXZLKC-UHFFFAOYSA-N 349.394 1.624 0 40 EDAB Cc1noc2nc(C(C)C)cc(C(=O)NCC3(O)CCOCC3)c12 72304472 GLHPHTLTAILUSD-UHFFFAOYSA-N 333.388 1.926 0 40 EDAB COC(=O)c1cc(C(=O)NCC[C@@H]2CCCO2)n(-c2ccccc2)n1 65493699 XOAWXCIQSPUFRG-AWEZNQCLSA-N 343.383 1.958 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 6340472 ICNCQXIQXPSHFL-JKSUJKDBSA-N 330.409 1.754 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCNC(=O)C2(C)C)C1 65575240 JSNGFNSGOSICGO-LBPRGKRZSA-N 339.436 1.371 0 40 EDAB C[C@@H](C(=O)NCCOc1ccccc1)N1C(=O)NC2(CCCC2)C1=O 65579026 VHPPBEFFXNHJSL-ZDUSSCGKSA-N 345.399 1.435 0 40 EDAB CCSCCC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 65565943 SDJWEBHFBGTVME-UHFFFAOYSA-N 349.500 1.590 0 40 EDAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O 14159288 OQZGGUVOCTUAOZ-KRWDZBQOSA-N 333.363 1.605 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)CO)cc2)cc1 65626975 PCYPXFIZSSMRHG-CYBMUJFWSA-N 348.424 1.906 0 40 EDAB C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCCCCC1 9337802 XNQQJDBXIAODHR-GFCCVEGCSA-N 325.434 1.537 0 40 EDAB C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NC1CC1 4546424 CUTNDVQRJLUMRE-ZANVPECISA-N 334.397 1.700 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C 6590189 YWCGYRJXZOSIQL-GFCCVEGCSA-N 325.386 1.220 0 40 EDAB CCOC(=O)C1CCN(C(=O)COC(=O)c2ccccc2OC)CC1 5559708 KHTNHPUSHCWOQT-UHFFFAOYSA-N 349.383 1.654 0 40 EDAB C[C@H]1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C[C@@H](C)O1 14944175 PNFGTQKWBFGTMM-ZWUHOBOKSA-N 329.462 1.821 0 40 EDAB Cc1ccc2c(=O)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)oc2c1C 6811353 SOMGBDVOWFGCKS-NSHDSACASA-N 335.381 1.327 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cnc1Cl 95433243 ICGVSLJRKWLAMY-VXGBXAGGSA-N 347.868 1.119 0 40 EDAB CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 15359280 WGAQZWXZVOWKFC-OAHLLOKOSA-N 332.381 1.389 0 40 EDAB Cc1n[nH]c(C(=O)N2CCC[C@@H]2Cn2cccn2)c1Br 71866622 SLQJBLRXJQPULW-SNVBAGLBSA-N 338.209 1.982 0 40 EDAB O=C1[C@@H](Sc2nnc(Cn3cncn3)o2)CCN1c1ccccc1 69251591 QIWYQZREKSIEBJ-LBPRGKRZSA-N 342.384 1.607 0 40 EDAB Cc1nc(CN2CCC[C@H](N(C)Cc3nnc(C4CC4)o3)C2)no1 71870541 YHQPTNBPGNJAHA-ZDUSSCGKSA-N 332.408 1.735 0 40 EDAB Cc1nc(CN2CCCN(C(=O)[C@H](C)n3ccnc3)CC2)cs1 70008006 KEYGYGYYVWLUAX-ZDUSSCGKSA-N 333.461 1.944 0 40 EDAB CCC[C@H](NC(=O)CCCNC(=O)C1CC1)c1nnc2ccccn12 69380010 NDKFHVRKSHSYJS-AWEZNQCLSA-N 343.431 1.993 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 71837336 ZHFUFDHKYNKXLZ-SJORKVTESA-N 344.459 1.415 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN1CCc2c(ncn2C)C1 71878970 HMABCCLZNPFRRQ-UHFFFAOYSA-N 340.427 1.766 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N3C[C@@H](C)OC[C@@H]3C)CC2=O)cc1 69420847 VLYHZDRNIFINAP-SQWLQELKSA-N 346.427 1.680 0 40 EDAB CC(C)N(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 69484998 LRVCOZQYKUIHJE-ZDUSSCGKSA-N 344.864 1.858 0 40 EDAB CCN(C(=O)CN1CCO[C@H](Cn2cccn2)C1)C1=CCCCC1 69414965 IURHYCWUNGDLLV-KRWDZBQOSA-N 332.448 1.890 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N(C)[C@@H]1CCCc3ccccc31)C2 69460213 YILOEYZJLVOINH-QGZVFWFLSA-N 339.443 1.938 0 40 EDAB CC(C)(C(=O)NCCN1CCCCC1)n1cc(Br)cn1 69414202 VCXYFDACAZFKFK-UHFFFAOYSA-N 343.269 1.983 0 40 EDAB CC(C)C(=O)NCCNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1 69532735 VRBQFKSSMPUPNA-UHFFFAOYSA-N 341.415 1.647 0 40 EDAB COc1ccc(NC(=O)NCCc2noc(-c3ccccn3)n2)cn1 69779255 LSJDRCHCVUXRHW-UHFFFAOYSA-N 340.343 1.899 0 40 EDAB CCn1ccnc1CN1CC[C@H](N(Cc2ncc(C)o2)C(C)=O)C1 83843614 FVWLCPNUPYGXRV-HNNXBMFYSA-N 331.420 1.822 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(CC(=O)NC(C2CC2)C2CC2)CC1 69876568 GDLMQYYGRUOEDG-INIZCTEOSA-N 337.508 1.316 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc1 69899105 BSVPHKGGUVNCBK-VOTDVEDPSA-N 346.427 1.712 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 71963226 NKWWOKYKAZUUNH-VIFPVBQESA-N 344.343 1.093 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 71908581 GECGASLSTNYHNK-GOSISDBHSA-N 342.443 1.596 0 40 EDAB CCc1nc(CN2CCN(S(=O)(=O)CC(CC)CC)CC2)no1 71914098 AFEBWVJNUYJIOG-UHFFFAOYSA-N 344.481 1.516 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)c2ccco2)c1=O 18210435 BEGKKMTZIHOGDW-GFCCVEGCSA-N 341.367 1.654 0 40 EDAB CC(C)C[C@@H](NC(=O)[C@H]1CCN(CC(C)C)C1)C(=O)Nc1cc[nH]n1 95415217 CMAWHQZUHIELNO-LSDHHAIUSA-N 349.479 1.857 0 40 EDAB COc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1 96765746 AOSUZFFXSGQRFK-TYVLLQCESA-N 327.361 1.530 0 40 EDAB O=C1[C@H]2CN(Cc3cncs3)CCN2C(=O)N1c1ccccc1 97084984 SRWREBIEGPICRZ-CQSZACIVSA-N 328.397 1.796 0 40 EDAB CN(Cc1nc2ccsc2c(=O)[nH]1)c1cnn(C)c(=O)c1Cl 97094779 LKBGWTAHMLBATA-UHFFFAOYSA-N 337.792 1.368 0 40 EDAB NC(=O)CCn1ccc(NC(=O)c2ccc(Br)s2)n1 72287351 PWTUAPMEXDHABG-UHFFFAOYSA-N 343.206 1.835 0 40 EDAB CN(C)[C@@H](CNC(=O)N[C@@H]1COc2ccccc21)c1cnn(C)c1 72287707 JCIQEJRFDHFBCP-CABCVRRESA-N 329.404 1.456 0 40 EDAB CC(C)CCOc1ccc(NC(=O)[C@@H]2CCc3nnn(C)c3C2)nn1 1548466476 TVMAKTUNRDPBOA-GFCCVEGCSA-N 344.419 1.774 0 40 EDAB CCS(=O)(=O)N1CCN(Cc2cn(C)nc2-c2ccccc2)CC1 95986564 XYDHVKXWEARDTQ-UHFFFAOYSA-N 348.472 1.554 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccn(CC(F)F)n1 95980524 PHNIOSGIHKYSQH-UHFFFAOYSA-N 347.391 1.807 0 40 EDAB CC(C)Cn1cnc(S(=O)(=O)Nc2cccnc2-n2cccn2)c1 75093490 AXWFBUMMKUREBL-UHFFFAOYSA-N 346.416 1.921 0 40 EDAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN2C(=O)NC[C@@H]2C1 75106492 FBWMPGMOYNMMBW-LLVKDONJSA-N 328.294 1.947 0 40 EDAB O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H]1c1cccc(F)c1F 89768135 NYBPTVCKRBWCIK-ADEWGFFLSA-N 329.368 1.762 0 40 EDAB C[C@@H]1CN(C)CCN1CC(=O)Nc1ccc(Br)cn1 89939116 VJBPIJIMGMGSGY-SNVBAGLBSA-N 327.226 1.419 0 40 EDAB Cc1cccc(CN2CCN(CC(=O)NC(=O)NC3CC3)CC2)c1 22920211 UOYGHXNKCCTRHA-UHFFFAOYSA-N 330.432 1.101 0 40 EDAB O=C(NCCc1ccccc1)[C@H]1COCC(=O)N1Cc1ccccc1 70641365 RICJTTFGNPCTMH-GOSISDBHSA-N 338.407 1.773 0 40 EDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cnns2)on1 548021558 HJVLVUGZQXSLDO-UWVGGRQHSA-N 325.369 1.177 0 40 EDAB Cc1cc(CNC(=O)N[C@@H](C)c2nnnn2-c2ccccc2)no1 522422511 UFWREYLBFVKYMT-NSHDSACASA-N 327.348 1.519 0 40 EDAB CCn1cnc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)O)c1 535593674 CBZILDUWLGONEK-UHFFFAOYSA-N 327.337 1.850 0 40 EDAB CCN(CC)C(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1OC 39985525 WLBJNZIAZQCYKJ-UHFFFAOYSA-N 342.461 1.883 0 40 EDAB COC[C@@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O 218077694 IGMUKPZMNJZQIQ-MBNYWOFBSA-N 329.443 1.125 0 40 EDAB O=C(CCN1C(=O)CCC1=O)NCc1ccc(OC(F)F)cc1 32748026 NXOYAMJLLSQCRS-UHFFFAOYSA-N 326.299 1.443 0 40 EDAB CC(C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 217496427 ZTCOTPYWZKOOIL-GFCCVEGCSA-N 342.417 1.662 0 40 EDAB CN(CCCS(C)(=O)=O)[C@H]1CCN(c2ccccc2F)C1=O 79028045 PUJUWPFOHINIQY-AWEZNQCLSA-N 328.409 1.298 0 40 EDAB O=C(Cn1ccc2c(cnc3ccnn32)c1=O)Nc1nccs1 79493443 FSVPQWNFUWJGFX-UHFFFAOYSA-N 326.341 1.139 0 40 EDAB CC(C)(C)NC(=O)Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2 71283201 BNLLVJQOZFKPDO-UHFFFAOYSA-N 347.350 1.087 0 40 EDAB Cc1cc(CCC(=O)NCc2ccnn2C)nc([C@@H]2CCCN2)n1 72366878 GEYZWNPYHFRBDL-HNNXBMFYSA-N 328.420 1.192 0 40 EDAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H](N2C(=O)COC2=O)C1 225699968 HRUFIYQVTIZVTN-NSHDSACASA-N 342.273 1.899 0 40 EDAB Cn1nc(C2CC2)nc1Cn1cnc2c(ncn2-c2ccccc2)c1=O 565492080 SYBKRJVMDMSIFH-UHFFFAOYSA-N 347.382 1.636 0 40 EDAB C[C@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1cn(C)c2ccccc12 80406438 KDVKCBMMWCXGOE-GWJCSSMESA-N 332.425 1.837 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 195315158 BXEFSZMVFKHAPW-LBPRGKRZSA-N 339.335 1.691 0 40 EDAB O=C(c1ccccn1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225602186 KORCCXDURIZOET-UHFFFAOYSA-N 339.399 1.213 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2c(Cl)cccc2C(=O)O)C1 575810695 UBUPFWIGLXNFSZ-JTQLQIEISA-N 346.836 1.552 0 40 EDAB COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2C)CC1 225877794 RLTJGDAPJJXSKE-UHFFFAOYSA-N 341.429 1.886 0 40 EDAB C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1cn(C)cn1 195530612 LNQVHFSECXWSPD-XJKCOSOUSA-N 335.429 1.959 0 40 EDAB CCCC(=O)Nc1cccc(CNC(=O)CCN2C(=O)CCC2=O)c1 44665152 UNMCUYDRYFGPFQ-UHFFFAOYSA-N 345.399 1.581 0 40 EDAB C[C@@H](NC(=O)C(F)(F)Cl)C(=O)Nc1ccc(-n2cncn2)cc1 195570568 FTKRVFJWEOLHIE-MRVPVSSYSA-N 343.721 1.542 0 40 EDAB O=C(NCC1CC1)[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1 96061196 GXHWFCOVKGXOAB-MRXNPFEDSA-N 343.427 1.762 0 40 EDAB COCCc1noc(Cn2cnc3sc4c(c3c2=O)CCCC4)n1 96404035 NVAOZILGAFYIHB-UHFFFAOYSA-N 346.412 1.957 0 40 EDAB Cc1cccc(CN2CCn3c(C(=O)N4CCCC4)cnc3C2)n1 96198673 ZWUYADGHXOEWHJ-UHFFFAOYSA-N 325.416 1.838 0 40 EDAB Cc1nn(C)c(C)c1CCNS(=O)(=O)c1cc(C(=O)O)cs1 237701683 MPAPRWZFJMXDSR-UHFFFAOYSA-N 343.430 1.318 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)Nc2cccc(-n3cccn3)c2)cn1 96421857 UYRIKFJWSITZCC-KRWDZBQOSA-N 340.387 1.635 0 40 EDAB CC(C)Cc1nnc(NC(=O)CN2CC[S@@](=O)C(C)(C)C2)s1 96479985 MKRDQMGRKLLVAD-QFIPXVFZSA-N 344.506 1.518 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccccn1 96041834 PEXSSPGCWAMLMH-ARFHVFGLSA-N 338.429 1.322 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2C(=O)N(c3cnn(C)c3)CC[C@H]2C1 96082120 CBHZPXCVQQMGKM-XJKSGUPXSA-N 329.404 1.510 0 40 EDAB CN(C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@@H]1COC[C@H]1O 583651533 OONFXSMUPJQISM-RBSFLKMASA-N 328.453 1.715 0 40 EDAB CCN1C[C@]2(CC1=O)CN(Cc1ccc(C)s1)CCN(C(C)=O)C2 97952778 LAIDIMIYWNNVBY-SFHVURJKSA-N 349.500 1.959 0 40 EDAB O=C(Cc1ccc(Cl)cc1)NCc1nccc(N2CCOCC2)n1 96120876 WRGKVXDANGUYAT-UHFFFAOYSA-N 346.818 1.826 0 40 EDAB CN(CC(C)(C)S(C)(=O)=O)c1nnc(-c2ccccn2)s1 96502986 XEEWFIWUAPKXBI-UHFFFAOYSA-N 326.447 1.860 0 40 EDAB Cc1ccc(N[C@H]2CO[C@]3(CCCN(Cc4nccn4C)C3)C2)nn1 96223174 SWOXDCJMXKPDPM-CRAIPNDOSA-N 342.447 1.754 0 40 EDAB Cc1nn(C)c(=O)c(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)c1C 97230309 UVWUDNYPBDIZDM-CYBMUJFWSA-N 331.420 1.438 0 40 EDAB Cc1cccc(CN2C[C@@H]3CN(C(=O)c4cnoc4C)C[C@@H]3C2=O)n1 96245372 JVLZDNVBLFGFSR-CJNGLKHVSA-N 340.383 1.417 0 40 EDAB Cc1[nH]ncc1S(=O)(=O)NC[C@@H](c1c(F)cccc1F)N(C)C 96406696 NULPHWUZYSNCSK-LBPRGKRZSA-N 344.387 1.578 0 40 EDAB O=C(c1ccnnc1)N1CC[C@]2(C[C@H](OCC3CCOCC3)CO2)C1 96110868 UUUFASQUXQCSPQ-WMZOPIPTSA-N 347.415 1.293 0 40 EDAB COCCNC(=O)c1ccc2nnc3nc(C)n(CCOC)c3c2c1 96264277 HHWHSAMHDSFJFJ-UHFFFAOYSA-N 343.387 1.311 0 40 EDAB CN(Cc1cccnc1)Cc1cnc2n1CCN([C@@H]1CCOC1)CC2 96089227 CHHNCYBLWZBWIG-QGZVFWFLSA-N 341.459 1.557 0 40 EDAB O=C(c1ccco1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CO2 96221579 HIKUJCRQAHTCNJ-CYBMUJFWSA-N 328.372 1.945 0 40 EDAB O=C(NO[C@@H]1CCCCO1)c1cccc(S(=O)(=O)C(F)F)c1 585087393 RKENKJNREYITKR-LLVKDONJSA-N 335.328 1.871 0 40 EDAB COc1ccc(CCNC(=O)[C@H](C)NC(=O)NC[C@@H]2CCCO2)cc1 585089553 WOFXIVJTYWEFOY-BBRMVZONSA-N 349.431 1.221 0 40 EDAB CCO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1cccc(OC)c1)C2 247942183 XOBFOZGZYGAUCD-AWEZNQCLSA-N 341.429 1.654 0 40 EDAB COc1cc(F)ccc1CC(=O)N1Cc2ccnn2[C@@H](CN(C)C)C1 248146030 VWHUDDLLEPPADY-INIZCTEOSA-N 346.406 1.718 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@H](NCc2cc3c(cn2)OCCO3)C1 585118436 OUONRVJCWFXDAI-WCQYABFASA-N 326.418 1.298 0 40 EDAB CCCn1ccc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)n1 257268065 MKBAMSQSGOJEQE-HNNXBMFYSA-N 343.431 1.865 0 40 EDAB O=C1[C@@H](N2C(=O)[C@H]3CCCN3C2=O)CCN1c1ccccc1Cl 253420299 MEGPETVYYHTCBI-OLZOCXBDSA-N 333.775 1.872 0 40 EDAB CO[C@H](CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1)c1ccc(F)cc1 252486110 HHGRZGPVKMRXMS-ZIAGYGMSSA-N 344.408 1.342 0 40 EDAB CCc1cc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)on1 257331030 XRBXZHUFNNBUEZ-QGZVFWFLSA-N 345.403 1.131 0 40 EDAB COc1ccccc1[C@@H]1CN(CC(=O)N2CCCCC2)CCN1C 257252458 JUVHMZHNORBISF-KRWDZBQOSA-N 331.460 1.996 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC[C@@H](c3cncc(C)n3)C2)CC1 257315523 VBUNHXZABUZQJX-MRXNPFEDSA-N 332.448 1.338 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1ccon1 257207479 BHYIALPVOKTXDN-INIZCTEOSA-N 334.351 1.312 0 40 EDAB Cn1cccc1C(=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257260070 LBEZLHFIFIJPNI-FQEVSTJZSA-N 339.439 1.660 0 40 EDAB Cn1nc(-c2ccccc2)cc1C(=O)NCc1nnc2c(O)nccn12 253397672 FYDBTDGVXLKPHR-UHFFFAOYSA-N 349.354 1.160 0 40 EDAB Cc1cc(-c2cnc(C[C@H]3CCCN(S(C)(=O)=O)C3)cn2)[nH]n1 257245428 IPLBELUCWRLVHA-GFCCVEGCSA-N 335.433 1.389 0 40 EDAB O=C(NCC1CC1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 26201898 LWXQWOIRVNAKBG-ZDUSSCGKSA-N 328.368 1.601 0 40 EDAB CC(=O)N[C@@]12CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C[C@@H]1CNC2 257254585 KDTLKKDCHWGRFM-SCLBCKFNSA-N 344.390 1.247 0 40 EDAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)CS2 26329745 QSHJWTBNYQYIIU-IAQYHMDHSA-N 332.385 1.249 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cn(C)cn3)CC2)C[C@@H](O)C1(C)C 257202035 AKESJAAHGHCUIP-OAHLLOKOSA-N 348.447 1.034 0 40 EDAB Cn1cc([C@@H](NC(=O)c2cnn3c2[C@@H](CN)CCC3)C(C)(C)C)cn1 592541670 HHVPLBSSQBLLBQ-MLGOLLRUSA-N 344.463 1.970 0 40 EDAB C[C@@H](CN1CCN(CC(N)=O)CC1)c1ccc(C(F)(F)F)cc1 282666163 MJXREJGCFZIURO-LBPRGKRZSA-N 329.366 1.912 0 40 EDAB CCS(=O)(=O)C1(CNC(=O)c2ccc(C(=O)OC)s2)CC1 598382995 OKCJDUVRCDFZCG-UHFFFAOYSA-N 331.415 1.232 0 40 EDAB C[C@H]1CN(c2nnnn2Cc2ccccc2Br)CCO1 1616036832 ZEKPACWJTISDTR-JTQLQIEISA-N 338.209 1.709 0 40 EDAB O=C(O)[C@@H](Cc1ccncc1)NS(=O)(=O)c1ccc2c(c1)CCC2 647927978 BHXGZFHYBJOAGV-MRXNPFEDSA-N 346.408 1.545 0 40 EDAB O=C(O)[C@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)CCc1ccccc1F 656563699 WKOOOPPITWXRAR-MBNYWOFBSA-N 327.377 1.636 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 575402886 DMZKXLHEUSEBPC-GFCCVEGCSA-N 344.408 1.571 0 40 EDAB Cc1ccccc1C[C@H]1CCN(C(=O)CCN2CCOCC2)C[C@H]1O 585280158 BWINQJPJERYOHY-RTBURBONSA-N 346.471 1.469 0 40 EDAB O=C([C@@H]1CCOC1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1055725388 UNODVYCYDRVCHU-SNVBAGLBSA-N 330.310 1.181 0 40 EDAB Cc1cnn(C[C@H](C)NCC(=O)N2CCC(c3ccccc3)=N2)c1 69740219 QWTUDAYKZZVKTA-HNNXBMFYSA-N 325.416 1.806 0 40 EDAB Cc1c(COC(=O)CNC(=O)Cn2cncn2)oc2ccccc12 71913789 KIYKJVFYAMTDHG-UHFFFAOYSA-N 328.328 1.192 0 40 EDAB O=C1CC[C@H](NC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)CN1 72280428 VFTDNYKYKSFXQU-ZETCQYMHSA-N 338.751 1.071 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N=c1[nH]c2ccccc2[nH]1 50934623 DDGFGEWZEZIWHU-CQSZACIVSA-N 326.356 1.971 0 40 EDAB CC(C)N(CC(N)=O)CC(=O)NCCc1cccc2ccccc12 51966557 LQKKGFZOBYJZEF-UHFFFAOYSA-N 327.428 1.694 0 40 EDAB Cn1ncc2c(N3CCC(NC(=O)c4cccs4)CC3)ncnc21 57149603 MOOILTZFUIUONR-UHFFFAOYSA-N 342.428 1.824 0 40 EDAB CCc1cccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 40526326 QUWCYAZKNFKVMQ-UHFFFAOYSA-N 340.449 1.205 0 40 EDAB Cc1[nH]c(C(=O)N2CCNC(=O)[C@H]2C(C)C)c(C)c1C(=O)OC(C)C 78453409 YLVLXCZQWGJRQC-OAHLLOKOSA-N 349.431 1.793 0 40 EDAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)N1CCS(=O)(=O)CC1 78446749 GHBRTGBJZRUXSZ-UWVGGRQHSA-N 328.356 1.548 0 40 EDAB CNC(=O)NC(=O)CCN1CCN([C@@H](C)c2ccccc2OC)CC1 95350162 LHQZHPPPVYNMBV-AWEZNQCLSA-N 348.447 1.220 0 40 EDAB CO[C@H]1[C@H](CNC(=O)c2cnc(C(C)C)nc2C)COC[C@H]1OC 1615128875 KIEGZENAVMRUAO-YUELXQCFSA-N 337.420 1.315 0 40 EDAB NC(=O)c1nc(-c2ccccn2)nc2c1[nH]c(=O)n2Cc1ccccc1 12114182 NJDBERHDYWTPEJ-UHFFFAOYSA-N 346.350 1.329 0 40 EDAB CN(C)C(=O)Cn1nc2c3ccccc3nc(C(C)(C)C)n2c1=O 12145249 RHSCECJZTSNFIC-UHFFFAOYSA-N 327.388 1.430 0 40 EDAB CCN(CC)C(=O)Cn1nc2c(C)cc3cc(OC)ccc3n2c1=O 12181594 KFRBPNJWCRIMRC-UHFFFAOYSA-N 342.399 1.835 0 40 EDAB CCn1cncc1CN1CCc2nc(-c3ccncc3)[nH]c(=O)c2C1 19578663 JGFPOMYAYMYYBW-UHFFFAOYSA-N 336.399 1.607 0 40 EDAB CC1CCN(CC(=O)N2CCO[C@@H](C(=O)NC3CCCC3)C2)CC1 19747856 RPCDSPIATDERCI-MRXNPFEDSA-N 337.464 1.005 0 40 EDAB CO[C@](C)(C(=O)NCc1cc2n(n1)CCCO2)c1ccccc1F 514957069 MUFGZCGMCCNWCP-KRWDZBQOSA-N 333.363 1.983 0 40 EDAB Cc1cc(O)nc(N2CCC(NC(=O)Cc3c(C)noc3C)CC2)n1 253537338 OPUXQBAZYYUXBT-UHFFFAOYSA-N 345.403 1.423 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1cccc(NS(C)(=O)=O)c1 25239345 KOVOBULPUKILTP-UHFFFAOYSA-N 336.417 1.338 0 40 EDAB Cc1cc(N2CCO[C@H]3CN(C(=O)c4cn(C)nc4C)C[C@@H]32)ccn1 2056224932 HJKIIRBJRHAERB-IRXDYDNUSA-N 341.415 1.162 0 40 EDAB COc1ccc2nnc(CNC(=O)c3cc(-c4ccccc4)n[nH]3)n2n1 253472816 PMOLGLAJZRFYHD-UHFFFAOYSA-N 349.354 1.453 0 40 EDAB CCc1ccc(C(=O)N2C[C@H]3[C@H](N4CCCC4)COC[C@H]3C2)cn1 1565550288 XSOSQIACCIZMHH-KBAYOESNSA-N 329.444 1.827 0 40 EDAB CCN(CC)C(=O)CSc1nnc(CNC(=O)c2ccccc2)o1 5107286 RNNUZBJCHQOETA-UHFFFAOYSA-N 348.428 1.960 0 40 EDAB COc1ccccc1OCC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 5193326 ODUIYQVGPORLLB-CQSZACIVSA-N 340.379 1.996 0 40 EDAB CC(=O)Nc1nc(CC(=O)NCc2ccc3c(c2)OCO3)cs1 16890604 PBHUABZFQJSWQP-UHFFFAOYSA-N 333.369 1.689 0 40 EDAB O=C(NCC1CCC1)c1ncn2c1CC[C@H](C(=O)NC1CCC1)C2 2055715777 IWHDWMKZQNOCCQ-ZDUSSCGKSA-N 330.432 1.644 0 40 EDAB Cc1c(CN[C@@H]2CCc3onc(CN4CCOCC4)c3C2)cnn1C 2055734685 LOBDMJMTJHURGO-OAHLLOKOSA-N 345.447 1.196 0 40 EDAB Cn1nnnc1SCC(=O)N1CCS[C@@H](c2ccco2)CC1 207004994 BKWAGXOPMWFGDY-LLVKDONJSA-N 339.446 1.602 0 40 EDAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)n1 38718709 BFHYRMMCMBKIKQ-UHFFFAOYSA-N 344.371 1.026 0 40 EDAB O=C(OC/C=C/c1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12 40159019 HAHBJPTUDNOHRR-VMPITWQZSA-N 344.392 1.741 0 40 EDAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccnc1 40477287 NJOMYTHOQBOJPZ-UHFFFAOYSA-N 331.376 1.458 0 40 EDAB Cc1c(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cnn1C 40493945 BPEPUOGPSRUSEF-LLVKDONJSA-N 335.429 1.965 0 40 EDAB COc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)c(OC)c1 40539049 AVEIVCHLNNCMMT-UHFFFAOYSA-N 348.443 1.888 0 40 EDAB O=C(CCCc1ncc(-c2ccccc2)o1)N[C@@H]1CCS(=O)(=O)C1 40523556 SEKUWPFVGZENGH-CQSZACIVSA-N 348.424 1.968 0 40 EDAB Cc1cccc(-c2nc(CN3CCN(S(C)(=O)=O)CC3)no2)c1 40513752 NXIJTZWJWMHKBK-UHFFFAOYSA-N 336.417 1.122 0 40 EDAB Cc1noc(C)c1CC(=O)NC[C@@]1(N2CCOCC2)CCSC1 31940219 WMFZTWIVGJQFGU-INIZCTEOSA-N 339.461 1.158 0 40 EDAB COc1ccc([C@H]2C=C(C(=O)O)Nc3nc(C)nn32)c(OC)c1OC 20736819 KVLWZZSFJJPYON-LLVKDONJSA-N 346.343 1.596 0 40 EDAB CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(Cl)c2)CC1 32410448 FQCPVRNHMLLOKY-UHFFFAOYSA-N 330.837 1.795 0 40 EDAB Cc1ccc(NS(=O)(=O)CC2=NC(=O)n3cccc3C2=O)cc1 32611913 KLNNMRQZRKTWSH-UHFFFAOYSA-N 331.353 1.844 0 40 EDAB C/C(=C\C(=O)NCCCN(C)S(C)(=O)=O)CCc1ccccc1 102081544 RNUCVJGPQCBZTK-CCEZHUSRSA-N 338.473 1.963 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)NCCc2cccc(Cl)c2)CC1 21896599 XDTINHJBRMJLTQ-UHFFFAOYSA-N 344.864 1.670 0 40 EDAB COc1ccc(OC)c(N2C[C@@H](C(=O)NC[C@@H]3CCOC3)CC2=O)c1 41367007 HFFJTAWHDXGMQU-STQMWFEESA-N 348.399 1.209 0 40 EDAB O=C1CCCc2[nH]c(=O)c(C(=O)NC[C@@H]3Cc4ccccc4O3)cc21 33117392 KHDZMKUTYXFLDA-LBPRGKRZSA-N 338.363 1.627 0 40 EDAB CCN(CC)[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccsc1 41441413 SCGRNSTYRMVAQA-UONOGXRCSA-N 344.502 1.682 0 40 EDAB COc1ccc(C)cc1/C=c1\s/c(=C/C(=O)C(C)(C)C)[nH]c1=O 103124813 JCUMETDYQFFODD-IDMWQADZSA-N 331.437 1.978 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1 22130823 HLRWPKNBUCNBEB-UHFFFAOYSA-N 331.401 1.459 0 40 EDAB C[C@H]1C[C@@H]1C(=O)OCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 22770645 XALUIWXVCWHNHE-BBRMVZONSA-N 344.411 1.738 0 40 EDAB Cc1nc(COc2ccc(C(=O)NC3CCN(C)CC3)cc2)no1 47615501 KVIDYSFUDSHRHO-UHFFFAOYSA-N 330.388 1.781 0 40 EDAB CN(CCN1C(=O)c2ccccc2C1=O)[C@@H]1Cc2ccccc2[C@@H]1O 97034151 HJRNGAASKPWLON-MSOLQXFVSA-N 336.391 1.873 0 40 EDAB CC(C)CO[C@H](C)c1noc(Cn2cc(Cl)c(=O)[nH]c2=O)n1 84544333 IFGDNHYLNKUHTP-MRVPVSSYSA-N 328.756 1.355 0 40 EDAB O=C(CCc1nnc(-c2ccccc2)o1)N[C@@H]1CCCCNC1=O 42478708 SALVIHNWOGXGDR-CYBMUJFWSA-N 328.372 1.454 0 40 EDAB Cc1noc(CNS(=O)(=O)c2ccc(Br)s2)n1 42412963 QEPKCSDXHUNJJQ-UHFFFAOYSA-N 338.208 1.681 0 40 EDAB CCn1nc(C(=O)N[C@@H](CC(=O)O)c2ccc(OC)cc2)ccc1=O 78814637 CACGAFBHGDOALX-AWEZNQCLSA-N 345.355 1.218 0 40 EDAB COCCn1cc(NC(=O)NCCc2ccc(OC)cc2)ccc1=O 42927003 SUJFIIBSPRSWCN-UHFFFAOYSA-N 345.399 1.868 0 40 EDAB C[C@H](Cc1ccccc1F)C(=O)N(CCO)CCN1CCOCC1 95430215 GYDFBNLOKXEDJO-OAHLLOKOSA-N 338.423 1.157 0 40 EDAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C 106156892 MCEWYIPNUDIQHG-GARJFASQSA-N 326.343 1.845 0 40 EDAB COC(=O)N[C@H](C(=O)OC[C@H]1CN(CC(C)C)CCO1)C(C)C 106802256 CALOEOFOUWJGHS-KGLIPLIRSA-N 330.425 1.267 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@@H]4[C@@H]5[C@H]3[C@@H]2[C@@]52CC=CC[C@]412 104280503 VJTMZINAWGVKDV-QZGPQXOESA-N 331.375 1.739 0 40 EDAB O=C(NCCN1CCCCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 34915898 OHTOKICCQCKOGP-KRWDZBQOSA-N 329.444 1.637 0 40 EDAB CCc1nc2cc(N[C@@H](C)C(=O)N3CCN(C(C)=O)CC3)ccc2o1 56200736 FKHIRBLQNFSDLV-LBPRGKRZSA-N 344.415 1.881 0 40 EDAB O=C(NCC(=O)N1CCS(=O)CC1)c1ccc(Cl)c(Cl)c1 108276491 INIPROFBWUWYOC-UHFFFAOYSA-N 349.239 1.314 0 40 EDAB C[C@H](C(=O)Nc1ccccc1F)N1CCN(c2ncccn2)CC1 57524793 TZNGLUVXMORHGX-CYBMUJFWSA-N 329.379 1.765 0 40 EDAB O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCn1cncn1 48150955 BPHLBBROPYKLTQ-UHFFFAOYSA-N 328.294 1.926 0 40 EDAB CCOC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2c(C)csc2n1 48288687 YMDOGCDRKQQUJM-ZDUSSCGKSA-N 335.429 1.982 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)NC1CCN(C(C)=O)CC1 48290639 OXKLQTNFHDDSMR-UHFFFAOYSA-N 338.429 1.221 0 40 EDAB O=C(Cn1nc(O)ccc1=O)NCC1(c2ccc(F)cc2)CCCC1 48278029 MLDYBXCWWZNNAM-UHFFFAOYSA-N 345.374 1.716 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)CCn1nnc2ccccc2c1=O 48265583 VZYRQMPMANKAHD-ZDUSSCGKSA-N 330.388 1.067 0 40 EDAB CC(C)C(=O)Nc1nc(CC(=O)Nc2nnc3ccccn23)cs1 44500840 GLGQEBJDDNYWNC-UHFFFAOYSA-N 344.400 1.962 0 40 EDAB CS(=O)(=O)N[C@H]1CCOC2(CCN(Cc3ccccn3)CC2)C1 108527494 VBOCJDFYVAOLRC-AWEZNQCLSA-N 339.461 1.144 0 40 EDAB CCCc1c(C(=O)N2CCCN(C(C)=O)CC2)[nH]c(C)c1C(=O)OC 48297568 CKTMLLKKTQNCGU-UHFFFAOYSA-N 349.431 1.757 0 40 EDAB Cc1cccc(C)c1NC(=O)CNC(=O)Cc1c(C)nn(C)c1C 10042745 SWMIBWPKBZTTCA-UHFFFAOYSA-N 328.416 1.951 0 40 EDAB O=C(NCCCN1CCCC1=O)NC[C@@H]1COc2ccccc2O1 44890931 CDYINHFZFPYALY-CYBMUJFWSA-N 333.388 1.138 0 40 EDAB Cc1cccc(C(C)(C)CNC(=O)CN2CCS(=O)(=O)CC2)c1 58209443 AATVNCRMTWCBCC-UHFFFAOYSA-N 338.473 1.119 0 40 EDAB COCCN(Cc1ccccn1)C(=O)[C@@H](C)NC(=O)c1cccs1 58294321 DUMGLMYMCUDTSG-CYBMUJFWSA-N 347.440 1.937 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)c3cc(C4CC4)[nH]n3)cn2)CCO1 44939168 FLEXFLUAFQRHEZ-LBPRGKRZSA-N 341.415 1.837 0 40 EDAB COc1ccc(CCNC(=O)COc2c[nH]c(C)cc2=O)cc1OC 95474895 NIXIYZPXYWTCAC-UHFFFAOYSA-N 346.383 1.438 0 40 EDAB CCOCC(=O)N1CCC2(CCCN(Cc3cccnc3)C2=O)CC1 108534407 XQAJMQFUCKVFFM-UHFFFAOYSA-N 345.443 1.849 0 40 EDAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)c2cccc(-n3cnnn3)c2)C1 58377594 SIONNRZICYQZQH-ZIAGYGMSSA-N 328.420 1.513 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2cccnc2)CC1 45031365 CLDCMMYURYNTBE-OAHLLOKOSA-N 345.447 1.632 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 101261612 HWGDPWQYIQOKHA-TVFCKZIOSA-N 340.423 1.854 0 40 EDAB CCCCNC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3303909 PSNDCKFGFBMPCZ-SFHVURJKSA-N 329.400 1.686 0 40 EDAB COc1ccc(S(=O)(=O)N2CCO[C@@H](C)C2)cc1NC(C)=O 10681955 PAFRBPZCWLUCBW-JTQLQIEISA-N 328.390 1.063 0 40 EDAB CC(C)CCNC(=O)NC(=O)CN1CCN(c2nccs2)CC1 36386211 NSYRCIYRACMNAI-UHFFFAOYSA-N 339.465 1.137 0 40 EDAB CCn1cc(NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)cn1 48310007 MIYIHABFMRLDQZ-UHFFFAOYSA-N 343.435 1.372 0 40 EDAB Cc1ccc(OCCN(C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 45654808 CTZIIUPAVBDWEB-CQSZACIVSA-N 340.445 1.450 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1cc(=O)c2ccccc2o1 11546246 KCICDGXCJOGXAS-UHFFFAOYSA-N 334.335 1.808 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)NCc2cccnc2-n2ccnc2)C1 45897740 ZMSYADFLFZIASQ-HNNXBMFYSA-N 327.388 1.142 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=S)NC[C@@H]2CCCO2)cc1 36847359 FYCSDYUFBUQKND-LBPRGKRZSA-N 328.459 1.233 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)N2N1 10152941 UOSKEXZUAZVQNM-LBPRGKRZSA-N 347.806 1.903 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)on1 46109626 GKGVWRNXGPMOGR-LOWVWBTDSA-N 328.434 1.791 0 40 EDAB CCN(CC)C(=O)N1CCN(Cc2nc(O)c3sccc3n2)CC1 29915507 RPSMGWBPDLWSKA-UHFFFAOYSA-N 349.460 1.976 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)CCc1nc(-c2cccnc2)no1 46781659 GDCFUDDUVZSXTR-LBPRGKRZSA-N 326.360 1.466 0 40 EDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NC(=O)NCc1ccco1 3464766 QDMVIQORGQIULR-UHFFFAOYSA-N 345.142 1.169 0 40 EDAB Cc1cccc(N2CCN(C(=O)N[C@@H](C)c3nncn3C)CC2)c1 46963799 VEOUPUCEIVKKEO-AWEZNQCLSA-N 328.420 1.716 0 40 EDAB Nn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cccs1 3447121 UNZVSYSMLFRZQD-SECBINFHSA-N 339.446 1.108 0 40 EDAB O=C(Nc1nccs1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059633 XQLLAFRLPQWEKX-SECBINFHSA-N 329.389 1.665 0 40 EDAB Cc1cc(C(=O)OCC(=O)NC(=O)NC(C)C)c2ccccc2n1 3548982 VLFRIEYFAZZSNP-UHFFFAOYSA-N 329.356 1.934 0 40 EDAB CC(C)(CNC(=O)NCCc1cccc(F)c1F)N1CCOCC1 72281198 YNYNIDKMORIAEB-UHFFFAOYSA-N 341.402 1.917 0 40 EDAB COC[C@H](O)CNC(=O)Nc1cc(OC)c(C(=O)OC)cc1Cl 72287575 HKKRGMPSDQVNOA-MRVPVSSYSA-N 346.767 1.264 0 40 EDAB COc1ccccc1[C@H](O)CNC(=O)NCc1ccnc(N(C)C)c1 65440731 SBRVXXRVAXGYHT-OAHLLOKOSA-N 344.415 1.689 0 40 EDAB CN(CC(=O)Nc1ccc(N2CCOCC2)cn1)c1ccccc1 65860047 GVNIYBVBCCWOQF-UHFFFAOYSA-N 326.400 1.993 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)c2ccc(Cl)cc2F)CC1 14351053 MSUWFEBAMLQFCS-UHFFFAOYSA-N 334.800 1.633 0 40 EDAB CCCCN(C(=O)c1ccccc1)c1c(N)n(CCC)c(=O)[nH]c1=O 5634387 VQIMNHXLGCMHNI-UHFFFAOYSA-N 344.415 1.976 0 40 EDAB COC(=O)c1cc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc(C(=O)OC)c1 5938495 DHFVUNALFOWNFR-TVQRCGJNSA-N 349.339 1.398 0 40 EDAB CCOC(=O)c1cnc2ccccc2c1OCC(=O)NC(=O)NC 19897595 YMJSJEVIGMQSIP-UHFFFAOYSA-N 331.328 1.246 0 40 EDAB Cc1ccc(Nc2nc(N)nc(CN3CCC[C@H](C(N)=O)C3)n2)cc1 8026527 GKWKQGSOWIVQKG-LBPRGKRZSA-N 341.419 1.203 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)Cc2n[nH]c3ccccc23)CC1 71864512 OHRMBCSYSGPXHZ-QGZVFWFLSA-N 344.459 1.657 0 40 EDAB Cc1ccc(Nc2nc(N)nc(COC(=O)[C@H]3CCCO3)n2)cc1 16799540 NMJMXKCBUXMABB-GFCCVEGCSA-N 329.360 1.728 0 40 EDAB COC(=O)c1ccc(OC[C@H](O)CNCc2cccnc2)c(OC)c1 8232843 OCAQKQUMFGTYFQ-OAHLLOKOSA-N 346.383 1.406 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cc(Br)c[nH]2)CC1 70003952 JJJINIUGIPDZAH-NSHDSACASA-N 330.226 1.306 0 40 EDAB C[C@H](OC(=O)C=C1CCCCC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 71828189 JCQTVMNHTOYFCU-GXTWGEPZSA-N 343.445 1.454 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2cccnc2)C(N)=O)cc1 71841598 HNEUJKUAZIQADN-OAHLLOKOSA-N 327.384 1.554 0 40 EDAB Cc1cnn(C2CN([C@H](C)C(=O)NCc3ccc4c(c3)OCO4)C2)c1 71876738 WWOXLKSTVIBZJW-CYBMUJFWSA-N 342.399 1.482 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCN2CCCC[C@@H]2C1 71839898 FRNODTHUSDRACH-GFCCVEGCSA-N 348.428 1.262 0 40 EDAB CC(C)n1cc(CN2CCCN(C(=O)CN(C)C3CC3)CC2)cn1 69459850 CZXUZNYZCSFGAZ-UHFFFAOYSA-N 333.480 1.593 0 40 EDAB COc1ccc(OC)c(-n2nnnc2SCc2nccn2C)c1 69485809 BROGLDSDASXGIA-UHFFFAOYSA-N 332.389 1.705 0 40 EDAB Cc1cnn(-c2ccc(C(=O)N3CCN(C[C@@H](C)O)CC3)cc2)c1 71871290 NRAOORSGYJISHR-OAHLLOKOSA-N 328.416 1.319 0 40 EDAB OCc1nc2ccccc2n1C[C@H](O)COc1ccc2c(c1)OCO2 71828309 HQSMOSBXHOWTGG-LBPRGKRZSA-N 342.351 1.697 0 40 EDAB CCNC(=O)c1ccc(N2CCC[C@@H](c3nncn3CC)C2)nn1 91627187 ZHUAQQMJVHIBON-GFCCVEGCSA-N 329.408 1.222 0 40 EDAB CNC(=O)c1ccc(Cl)cc1NC(=O)CCNC(=O)[C@H]1C[C@H]1C 69594295 IQUMKIAKHJMTAC-SKDRFNHKSA-N 337.807 1.800 0 40 EDAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H]1CC(=O)N(C)C1 69571268 LILKLZKHBDZMOJ-ZJUUUORDSA-N 330.306 1.820 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)C2 69664999 FVAMKDYISOVGSR-RYUDHWBXSA-N 345.369 1.639 0 40 EDAB O=C(/C=C/c1ccccc1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 69615577 XCVSNNDWWMDSHA-RMKNXTFCSA-N 337.379 1.373 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)NCc1ccccc1 69738760 FAEWUXIIZMLUJG-QZTJIDSGSA-N 329.444 1.778 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1c(C)nn(C)c1C 69818437 BCSRZRNCWIXWPB-HOTGVXAUSA-N 347.463 1.451 0 40 EDAB CCOc1ncnc2c1CN(C[C@@H](O)COc1ccccc1)CC2 97202271 FDIDMZZNSNKPNB-CQSZACIVSA-N 329.400 1.673 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)O 95442388 QBSIZWIPLFEVJN-RISCZKNCSA-N 329.466 1.469 0 40 EDAB Cn1cc(NC(=O)N2CCN(Cc3ccccc3)CC2)ccc1=O 95955668 ZJNXQSIKPMPLRQ-UHFFFAOYSA-N 326.400 1.735 0 40 EDAB CS(=O)(=O)N1CCC[C@H](CN2CCN(Cc3ccco3)CC2)C1 85772099 LCYUMSQMICGNCJ-OAHLLOKOSA-N 341.477 1.069 0 40 EDAB NC(=O)C[C@@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)C1CC1 75148027 ZQPNIIWDLCVOFT-CQSZACIVSA-N 341.367 1.916 0 40 EDAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cn1 75139289 DIZYRUXEWFVGAN-AWEZNQCLSA-N 344.371 1.996 0 40 EDAB Cn1nccc1CNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 89741125 CTNYRFVWDLKUSY-NSHDSACASA-N 334.811 1.547 0 40 EDAB CCOC(=O)N1CCC(NC(=O)[C@H](C)NC(=O)c2ccccc2)CC1 24469624 PZBQHCXNACYELB-ZDUSSCGKSA-N 347.415 1.542 0 40 EDAB CC(C)[C@@H]1C(=O)NCCN1c1cc(-c2ccccc2)nc2ncnn12 89801964 KVUUFNCWRUDTFE-MRXNPFEDSA-N 336.399 1.752 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N2CCN(C)C[C@@H]2C)n1 89969113 DEZHUPAWEZHHGY-NSHDSACASA-N 325.844 1.752 0 40 EDAB C[C@H]1C[C@@H](Nc2nc3c(cnn3C)c(=O)[nH]2)C(=O)N1c1ccccc1 76063744 ZDCDAIIRDMCXOL-GXFFZTMASA-N 338.371 1.263 0 40 EDAB Cc1ccc(N2CCN(C(=O)[C@@H]3CCN(C)[C@H](C)C3)CC2=O)cc1 1548612054 ICORHJZFXZLAFR-HZPDHXFCSA-N 329.444 1.901 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC(C)C)cc1C 408554485 SJDMTIWQNJFKGW-GFCCVEGCSA-N 328.434 1.443 0 40 EDAB CCC[C@H](C)NC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 36392874 KDTFPRPDLPUJCC-LBPRGKRZSA-N 337.424 1.437 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H](CO)C(C)(C)C)cc1 128385959 HTBQJVKTLJFNTL-AWEZNQCLSA-N 328.434 1.673 0 40 EDAB c1cn2ccnc2c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 306124623 BUUPZADXZWGESJ-UHFFFAOYSA-N 337.383 1.780 0 40 EDAB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(COC(C)=O)C=C[C@H]2O1 409298208 NWSMLAXGOOACII-ADAWSYLGSA-N 343.335 1.071 0 40 EDAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCO 217459890 PZYRCVOCIIWHBT-JTQLQIEISA-N 330.406 1.256 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1nccn1C 75486066 HGHYIKVNLIIMLM-HNNXBMFYSA-N 327.432 1.361 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)C(=O)O 218207512 IJSYYZNIRUEONY-FOGDFJRCSA-N 348.218 1.132 0 40 EDAB COc1ccccc1C(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 70998944 BPFATGQUEXUGMR-UHFFFAOYSA-N 338.327 1.022 0 40 EDAB Cc1ccc(C2(C(=O)N[C@@H]3CCS(=O)(=O)C3)CCOCC2)cc1 72265192 YXSBSTXRTMUMTH-OAHLLOKOSA-N 337.441 1.347 0 40 EDAB Cc1cc(N(C)C)nc([C@@]2(C)CCCN2C(=O)c2cncnc2)n1 72388436 KQKITJVJQBEPIT-QGZVFWFLSA-N 326.404 1.792 0 40 EDAB CC(C)N1CCN(CCCn2nc(C(F)(F)F)ccc2=O)CC1 189479889 NBINONZXCHCZIC-UHFFFAOYSA-N 332.370 1.678 0 40 EDAB CCOC(=O)C1CCN(Cc2nn(C)cc2Br)CC1 75761049 CPZDUOCIZDPACN-UHFFFAOYSA-N 330.226 1.958 0 40 EDAB O=C(Cn1ncc2ccccc21)Nc1ccc(N2CCOCC2)nc1 78614247 TYYJOKNCAWKUBU-UHFFFAOYSA-N 337.383 1.907 0 40 EDAB CN1CCN(C(=O)c2ccc(CNC(=O)N3CCCC3)cc2)CC1 45839791 HURZTBIQXKIYTI-UHFFFAOYSA-N 330.432 1.380 0 40 EDAB COc1ccc(OCc2cn(CC(=O)Nc3nncs3)nn2)cc1 227168090 LJNIFYAEZWSSAL-UHFFFAOYSA-N 346.372 1.356 0 40 EDAB Cc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)c(C)c1 44791200 QIHUPYSUVLXGCG-AWEZNQCLSA-N 340.445 1.365 0 40 EDAB CCn1cc(C(=O)Nc2cc(Br)c(=O)n(C)c2)cn1 88213790 FAWNSSKCTRFKOG-UHFFFAOYSA-N 325.166 1.617 0 40 EDAB CC(=O)N1CCN(C(=O)CCNCc2cccc(Cl)c2F)CC1 134051071 JIJRAFGXCXXOGD-UHFFFAOYSA-N 341.814 1.650 0 40 EDAB OC1(c2csc(CN3CCOCC3)n2)CCN(C2CCC2)CC1 225467717 UCXLRMOWEWSAAA-UHFFFAOYSA-N 337.489 1.811 0 40 EDAB biogenic,in-vitro CC(C)Oc1nccnc1N1CCC[C@@](O)(C(=O)N2CCCC2)C1 577778943 JUCFHRLPFXKSFP-KRWDZBQOSA-N 334.420 1.218 0 40 EDAB O=C(N=c1cc[nH]cc1Br)N[C@@H]1CCc2n[nH]cc2C1 332603710 PKRKGLUZQOGYHO-SECBINFHSA-N 336.193 1.668 0 40 EDAB CCN(C(=O)[C@H](C)Nc1cnn(CC(=O)NC)c1)C1CCCCC1 192504024 INBBQCKHSTYDIO-ZDUSSCGKSA-N 335.452 1.611 0 40 EDAB OCCN1CCN(CCCCNc2ncccc2C(F)(F)F)CC1 96406192 ZJZKUMLBWRIDBE-UHFFFAOYSA-N 346.397 1.902 0 40 EDAB COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccsc1 96061104 AKDOJNVILVKQJA-CQSZACIVSA-N 344.444 1.771 0 40 EDAB Cn1cc(CN2C[C@@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)cn1 96042537 AIMWBHLDJPWFLG-KURKYZTESA-N 328.416 1.764 0 40 EDAB Cc1cnn(Cc2ccc(NC(=O)N[C@H]3CCN(C)C3=O)cc2)c1 96415989 AQAXFHBCYVEFHM-HNNXBMFYSA-N 327.388 1.592 0 40 EDAB O=S1(=O)CCN(C2CCN(Cc3ccncc3Cl)CC2)CC1 97094666 JPXNJKJIWJAGHE-UHFFFAOYSA-N 343.880 1.430 0 40 EDAB O=C(c1c[nH]cn1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2CC1 96249421 UPCWQWBJRPFEDQ-IRXDYDNUSA-N 341.415 1.310 0 40 EDAB COCCN1C(=O)[C@]2(CC[C@@H]3CN(C(=O)NC(C)C)C[C@@H]32)N=C1C 96261526 GJFWCVVWHRDPMZ-JKIFEVAISA-N 336.436 1.092 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)C[C@@H](Oc1ccccn1)CO2 96107009 FCANHHICRAANOQ-CYBMUJFWSA-N 326.418 1.434 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 96159171 RQFUPAMSIYEHIP-UHFFFAOYSA-N 337.445 1.034 0 40 EDAB Cc1c(C(=O)NC[C@H](O)c2cnn(C)c2)c(=O)oc2ccccc12 96461231 GVXOBAIQORVYGP-ZDUSSCGKSA-N 327.340 1.298 0 40 EDAB CN(C)c1nc(N)nc(CN2CCC(Nc3ccccc3F)CC2)n1 96443476 JJDJGPQCNFIXQJ-UHFFFAOYSA-N 345.426 1.735 0 40 EDAB CC(C)[S@@](=O)c1ccc(C(=O)N2CCO[C@@H](C(=O)O)C2)cc1 584908049 HSFQFBXIPLVJJK-MCMMXHMISA-N 325.386 1.128 0 40 EDAB CS(=O)(=O)C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](CO)O1 96531724 METLYINLHNHIRK-BXKDBHETSA-N 341.212 1.599 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 96250586 IAZOTUJJYSJQOZ-FVQBIDKESA-N 340.383 1.570 0 40 EDAB O=C1CCCN1Cc1nnc2n1CCCN(Cc1cccs1)C2 96259628 ASQLGYHORLLMGH-UHFFFAOYSA-N 331.445 1.868 0 40 EDAB Cc1ccccc1O[C@H](C)CNC(=O)NC[C@H]1CN(C)CCN1C 96440110 IRRKYXKDCHQBRL-CVEARBPZSA-N 334.464 1.307 0 40 EDAB Cn1ncc2c1CN(C(=O)c1cnccn1)C[C@H]2COCC1CC1 96044648 HAUDWIOLLYZPNJ-ZDUSSCGKSA-N 327.388 1.376 0 40 EDAB Cc1occc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC(=O)N(C)C 96057852 FYSOPPPZFMAAFF-SQWLQELKSA-N 336.388 1.065 0 40 EDAB COc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CN(C)CCN1C 96477450 PYSDQHPWFCWSDG-LSDHHAIUSA-N 334.464 1.248 0 40 EDAB CN(C)CCOC[C@@H]1CN(Cc2cccs2)Cc2nnn(C)c21 96060655 ZAUKZPUGKAOVIM-ZDUSSCGKSA-N 335.477 1.554 0 40 EDAB COCCNC(=O)C[C@H]1OC[C@H]2CN(CCc3ccccc3)CC[C@H]21 96206446 POOFOKQMRKNMLD-GUDVDZBRSA-N 346.471 1.719 0 40 EDAB COC(=O)[C@@]1(NC(=O)C(F)F)CCCN(Cc2ccccc2)C1 585079542 QXTHPYRLLJTVSO-MRXNPFEDSA-N 326.343 1.576 0 40 EDAB CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CCN3Cc3cnn(C)c3)O2)CC1 96057537 XKANXBPUTFHKFL-KZNAEPCWSA-N 346.475 1.801 0 40 EDAB Cn1cc(CN2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)cn1 96202242 FHFQIKRZIXBSHL-SFHVURJKSA-N 327.432 1.544 0 40 EDAB COC(OC)C(=O)N1CCN(C(=O)[C@H]2C[C@H](C)CC(C)(C)C2)CC1 585131294 RACXMPJFAFOCLT-KBPBESRZSA-N 340.464 1.739 0 40 EDAB Cc1cccc(COC[C@H]2CN(S(C)(=O)=O)Cc3cncn32)n1 247877166 PACPGIXIHUNXNP-OAHLLOKOSA-N 336.417 1.120 0 40 EDAB O=C(COc1ccc(F)cc1)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257237713 HHVGKKRBSWJWJE-JFIYKMOQSA-N 336.407 1.699 0 40 EDAB Cc1ncc(-c2nccnc2[C@H]2CCCN(S(C)(=O)=O)C2)n1C 257329601 XKRVAGFSSCYBNE-LBPRGKRZSA-N 335.433 1.325 0 40 EDAB O=C(c1ccc2[nH]nnc2c1)N1CCOC[C@@H](Cc2ccncn2)C1 257311417 UJIHSVMZJJXKAK-LBPRGKRZSA-N 338.371 1.079 0 40 EDAB CCc1nccn1CC(=O)N1CCO[C@@H](CCc2cc(C)ncn2)C1 257219163 DFVMRGYHZYACGV-INIZCTEOSA-N 343.431 1.404 0 40 EDAB Cc1cccc(OCC(=O)N2CCN(C(=O)CC(F)(F)F)CC2)c1 64068283 RHDQFPIBWCTREI-UHFFFAOYSA-N 344.333 1.997 0 40 EDAB CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccccc1F 257323110 WIUKYWAJVPCXJA-SFHVURJKSA-N 342.374 1.835 0 40 EDAB COc1ccccc1CC(=O)N1CCOC[C@@H](Cc2ccncn2)C1 257223285 DWQZGBNOLCQGKE-HNNXBMFYSA-N 341.411 1.745 0 40 EDAB O=C(NCCn1cc(-c2nc(-c3ccsc3)no2)nn1)C1CCC1 252505691 VSRRCMJDJQMWNP-UHFFFAOYSA-N 344.400 1.973 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@@H](c3nccnc3N(C)C)C2)cs1 257285956 PJOAZUKDSFWGNE-CYBMUJFWSA-N 347.444 1.450 0 40 EDAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3sccc3C)C2)ncn1 257243414 IGWNPJDEDLDTHE-KRWDZBQOSA-N 346.456 1.916 0 40 EDAB CO[C@@H]1COC[C@H]1S(=O)(=O)NCCc1nc(C(C)(C)C)cs1 1615045734 VCEAZPYVIHLRDD-GHMZBOCLSA-N 348.490 1.316 0 40 EDAB Cn1cnc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)c1 96025621 MERDSGVAOCTHHQ-UHFFFAOYSA-N 334.401 1.738 0 40 EDAB O=C(CN1CC[C@](O)(COc2ccc(F)cc2)C1)Nc1ccccn1 585277537 WIYCVZHZDXBFJY-GOSISDBHSA-N 345.374 1.675 0 40 EDAB Nc1ncccc1C(=O)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 585283532 BNRZPBCGRNCMOE-DAXOMENPSA-N 327.384 1.612 0 40 EDAB CC(C)[C@@H](C(=O)N1CCN(C(=O)C2CCC2)CC1)N1CCCCC1 69922378 KCWVHESNDMFBRE-KRWDZBQOSA-N 335.492 1.968 0 40 EDAB Cc1nc(Cn2nnnc2Cc2ccc(Br)cc2)no1 71907476 DEVYXGOJJQTRBY-UHFFFAOYSA-N 335.165 1.766 0 40 EDAB Cc1cc2ncnc(N3CCCN(c4ccc5nncn5n4)CC3)c2[nH]1 1565520648 ALFGKTRZQJHSPN-UHFFFAOYSA-N 349.402 1.421 0 40 EDAB CC(C)C[C@](C)(NC(=O)c1cncc(Br)c1)C(N)=O 78619380 ACGPEHACJRRDHQ-ZDUSSCGKSA-N 328.210 1.864 0 40 EDAB O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(=O)[nH]n1 40534535 FKOVZKWTWCPVSY-UHFFFAOYSA-N 327.262 1.641 0 40 EDAB CN(C)c1ccc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1 92525386 MAQJZYBRRSZROC-UHFFFAOYSA-N 337.383 1.889 0 40 EDAB Cc1noc(C)c1Cc1ccc(C(=O)N2CCn3ncnc3C2)o1 12186527 ZKUWDQNGBGSZRD-UHFFFAOYSA-N 327.344 1.723 0 40 EDAB COc1cc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc(C)n1 12223623 VRURGARDPUNABY-UHFFFAOYSA-N 330.363 1.895 0 40 EDAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@@H](C)N)C2)C1 12365952 BHAATZMPNVXBHZ-FZKQIMNGSA-N 331.416 1.136 0 40 EDAB CC(C)(C)SCCNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 13688800 NMAHWITTZYSXEK-BETUJISGSA-N 338.473 1.976 0 40 EDAB CN(C)C1(CNC(=O)CN2CCC[C@@H]2Cn2cccn2)CCCCC1 19659239 DWNZJOLQYZIZRC-QGZVFWFLSA-N 347.507 1.728 0 40 EDAB O=C(NC1CCCC1)[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 19747848 IAWNHKZJWDOHTJ-CYBMUJFWSA-N 341.415 1.339 0 40 EDAB Cc1cnc(C(=O)N[C@@H]2CCCN(C(=O)COC(C)C)CC2)cn1 19749787 KNFOANRSUBVWQR-CQSZACIVSA-N 334.420 1.321 0 40 EDAB CNc1cc(CN(C)C(=O)c2ccccn2)nc([C@@H]2CCCN2)n1 19760704 AUJJFHPMDRFOCO-ZDUSSCGKSA-N 326.404 1.610 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1ccccc1)C2=O 4515805 NAJOZKQODGBPGW-KUHUBIRLSA-N 343.427 1.846 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccnc3ncnn23)cc1 19211445 JOTHZAZMADGQHN-AWEZNQCLSA-N 343.412 1.959 0 40 EDAB Cn1cccc1C(=O)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2 371246111 ASWYETKMMBCHFT-VIFPVBQESA-N 327.310 1.671 0 40 EDAB Cc1ccc(N2CCC(C)(C(=O)NCCN3CCCC3)CC2)nn1 1848356455 LRMMGXCUUYIIBZ-UHFFFAOYSA-N 331.464 1.604 0 40 EDAB C[C@H](C(=O)Nc1ccccc1F)N1CCN(C(=O)[C@@H]2CCCO2)CC1 16378929 CYLCPMKFKXVQOS-CJNGLKHVSA-N 349.406 1.476 0 40 EDAB COc1ccc(C(=O)N2CC3(C[C@H](N4CCOCC4)CS3)C2)cn1 2056223779 AKFCJCVCFVMXBF-AWEZNQCLSA-N 349.456 1.123 0 40 EDAB O=S1(=O)N=C(N2CC(Cn3cc(Cl)cn3)C2)c2ccccc21 2086968219 FIFXGFUFYZASBR-UHFFFAOYSA-N 336.804 1.617 0 40 EDAB Cc1cc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)on1 2087127145 WWDBXTUMPYCDJO-CYBMUJFWSA-N 329.347 1.442 0 40 EDAB COc1cc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1 2087127704 CQMCKDSDSMHDJF-UHFFFAOYSA-N 344.297 1.209 0 40 EDAB COc1ccc(CC(=O)N2CC[C@H]3CN(C)CCO[C@H]3C2)cc1F 1565548109 RLJXNGISLALSCE-YOEHRIQHSA-N 336.407 1.556 0 40 EDAB COc1ccc(NC(=O)CSc2nnc(C)c(O)n2)cc1OC 4248994 JYUVQFNIZQWJNK-UHFFFAOYSA-N 336.373 1.634 0 40 EDAB C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@]12CCN(Cc1cccnc1)C2=O 2055708109 JRKFKDLNZAIJKY-FZKQIMNGSA-N 339.399 1.316 0 40 EDAB CCOc1ccc(O[C@@H](C)C(=O)NCCCn2ncccc2=O)cc1 23241860 FFYCQFQXCJLVJS-AWEZNQCLSA-N 345.399 1.616 0 40 EDAB Cc1cc2ncc(CCCNC(=O)Cn3nnc4ccccc43)cn2n1 206823798 RDHFGXJBBVQTEJ-UHFFFAOYSA-N 349.398 1.531 0 40 EDAB Cn1nccc1-c1nnc(NC(=O)[C@H]2COc3ccccc3O2)o1 38661761 PSGWQBRUFXRVFF-GFCCVEGCSA-N 327.300 1.249 0 40 EDAB CC(C)[C@H](Cn1ccnn1)NC(=O)CNC(=O)OCc1ccccc1 575615910 IZJZGSUPYQIONK-HNNXBMFYSA-N 345.403 1.345 0 40 EDAB Cc1cc(N(C)C2CN(c3ccc4nncn4n3)C2)n2nc(C)cc2n1 585592920 YHHONBIQFCPGOG-UHFFFAOYSA-N 349.402 1.109 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CC[C@H](Oc2ncc(F)cn2)C1 390827622 IJAHNJVMYVOPRA-NSHDSACASA-N 342.352 1.063 0 40 EDAB COC(=O)Cc1c(C)[nH]c2nc(NCc3ccc(F)cc3)nn2c1=O 9109165 LPNJGDMETHIRHN-UHFFFAOYSA-N 345.334 1.193 0 40 EDAB COc1ccc(-c2nc(CN3CCN(C(=O)N(C)C)CC3)no2)cc1 30968972 PICIMOWZIFBNHJ-UHFFFAOYSA-N 345.403 1.544 0 40 EDAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cnn(C)c3)CC2=O)cc1 40512506 XUPZPODLGIFNKR-LBPRGKRZSA-N 328.372 1.810 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 40542736 NEISEQYKIZTMIV-LBPRGKRZSA-N 348.428 1.031 0 40 EDAB NC(=O)c1ccc(-c2nnn(C[C@H](O)c3c(F)cccc3F)n2)cc1 51289255 NAECXAOIJNGIEO-ZDUSSCGKSA-N 345.309 1.451 0 40 EDAB CC[C@@](C)(CNC(=O)c1csc(NC(C)=O)n1)N1CCOCC1 31923574 YODDRTDBCFEDCI-HNNXBMFYSA-N 340.449 1.332 0 40 EDAB CCN1CC[C@@H](CNC(=O)c2nc(N3CCCC3)ncc2Cl)C1 101689253 CTXJAYJYXNISGM-LBPRGKRZSA-N 337.855 1.802 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)c2ccc(O)c(Cl)c2)CC1 32907596 ZVUNZJFGZZBDRB-UHFFFAOYSA-N 346.836 1.590 0 40 EDAB CCn1c(=O)n(CCC(=O)N2C[C@@H](C)O[C@H](C)C2)c2ccccc21 21898138 DIZDIRBDAHZMCW-ZIAGYGMSSA-N 331.416 1.849 0 40 EDAB CC(C)N(CCCNC(=O)c1ccc2cc[nH]c2c1)S(C)(=O)=O 53418802 ADJXQSAXJQBAAJ-UHFFFAOYSA-N 337.445 1.958 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CCC(c2cnn(CC)c2)CC1 104173550 HEWYLEBWEHWQNC-HEHNFIMWSA-N 344.463 1.750 0 40 EDAB COc1ccccc1OCC(=O)NS(=O)(=O)c1ccc(C)s1 42318498 FFAURJODMFIALM-UHFFFAOYSA-N 341.410 1.949 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3cnn(C)c3)c(C)c12 47529435 LJVDBVWWNFOBPZ-UHFFFAOYSA-N 328.376 1.183 0 40 EDAB CCCN(C)c1ccc(C(=O)Nc2ccn(CCC(N)=O)n2)cc1 78773799 SZRNXABNRDQFIA-UHFFFAOYSA-N 329.404 1.857 0 40 EDAB Nc1ccc2cc(S(=O)(=O)CCOS(=O)(=O)O)ccc2c1 2540001 BNYUZNPPOBEWGT-UHFFFAOYSA-N 331.371 1.015 0 40 EDAB Cc1cc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)ccc1OC(C)C 42985880 YKVIAKNENSNPLN-CYBMUJFWSA-N 340.445 1.668 0 40 EDAB CC[C@@H]1CN(Cc2nc(-c3cccnc3)no2)CCN1C[C@@H](C)O 72267423 UVYPXAPKLHEBEI-UKRRQHHQSA-N 331.420 1.409 0 40 EDAB CN1CC(=O)N(CCCC(=O)Nc2nc3ccccc3s2)C1=O 7705662 TVRKELDBWYDFPQ-UHFFFAOYSA-N 332.385 1.909 0 40 EDAB O=C(CN1CCN(C(=O)NCC2CC2)CC1)Nc1ccc(F)cc1 25085735 AOZJKWGHJGEDFL-UHFFFAOYSA-N 334.395 1.501 0 40 EDAB CC[C@@](C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC1=O 1410103 OCMCZJBHGZPQDR-SFHVURJKSA-N 331.416 1.863 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)CN2CCCc3ccccc32)C1 25406023 DFSSGZAZVLLNPU-SFHVURJKSA-N 345.487 1.912 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H]1CCc3nccn3C1)C2 72278747 MUANPHFRUGRCDM-ZIAGYGMSSA-N 327.384 1.574 0 40 EDAB O=C(NCc1nc(-c2ccco2)n[nH]1)C(=O)Nc1cccc(F)c1 72291126 OMJGTZRMQPEEAE-UHFFFAOYSA-N 329.291 1.459 0 40 EDAB Nc1nonc1C(=O)NCCNCc1ccccc1C(F)(F)F 57279112 XDIMZBXBVHVWIC-UHFFFAOYSA-N 329.282 1.190 0 40 EDAB C[C@H](NC(=O)CN1CCNC(=O)C1)c1ccc(-c2ccccc2)cc1 57383078 CCKWDEXVQJRERT-HNNXBMFYSA-N 337.423 1.963 0 40 EDAB CC(C)N(C(=O)COC(=O)CNC(=O)c1ccccc1F)C(C)C 3250892 LQXFXAZHOGWMMV-UHFFFAOYSA-N 338.379 1.744 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N[C@H](CCO)C(C)(C)C)c1 95432880 CBWRWVCSWSMGDS-CYBMUJFWSA-N 329.418 1.549 0 40 EDAB C[C@H]1CN(Cn2ncc3cn(-c4ccccc4)nc3c2=O)[C@H](C)CO1 58168556 VJPHMBWLBQUSLR-KGLIPLIRSA-N 339.399 1.649 0 40 EDAB CCN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3nnc(C4CC4)o3)C2)C1=O 95402624 ZXMFEXAFQXYXNS-SJKOYZFVSA-N 347.419 1.489 0 40 EDAB CN(C)c1ncc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)cn1 95434661 NCJGAJCNXHAWPX-SNVBAGLBSA-N 331.342 1.755 0 40 EDAB CCn1c(CCC(N)=O)nnc1SCc1nc2ccccc2n1C 58246603 QHVPOGTUTVOCFS-UHFFFAOYSA-N 344.444 1.895 0 40 EDAB O=C(c1cscn1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108535102 WTLARAYXXXEFJF-HOTGVXAUSA-N 344.440 1.654 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCN(Cc2ccco2)CC1 44971247 WDTLWCONIHRKIR-INIZCTEOSA-N 343.431 1.918 0 40 EDAB CCC(=O)Nc1cccc(NC(=O)CCSc2nnnn2C)c1 44979683 BYRMAOLWPFSUKE-UHFFFAOYSA-N 334.405 1.680 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)[C@H](C)c1nnnn1-c1ccccc1 44954028 VXDPTUKMYONOAH-GFCCVEGCSA-N 347.400 1.943 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(CN2CCCC2)c1 58391417 KBCFGHJDFUENKT-RTBURBONSA-N 343.471 1.875 0 40 EDAB CC(C)N1CCC[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 58308972 UOAOXRGLWDOSCZ-AWEZNQCLSA-N 338.473 1.940 0 40 EDAB O=C(CCNC(=O)COc1ccc(F)cc1)NCc1cccnc1 58324316 RKAXURBTUFWAOG-UHFFFAOYSA-N 331.347 1.422 0 40 EDAB Cc1nn(C)c2cnn(CCCNC(=O)COc3ccccc3)c12 57279685 GPXMKVUCIHLHAP-UHFFFAOYSA-N 327.388 1.664 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)N2CCc3ccccc32)C1 36391956 QLLOYVFIKFVTIH-WMLDXEAASA-N 329.444 1.812 0 40 EDAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N(C)C)cc1C 28207510 DWYHNDXCRUWLJN-UHFFFAOYSA-N 328.434 1.493 0 40 EDAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(Cc2ccncc2)CC1 28693494 IUAJYYDGAPCWGI-UHFFFAOYSA-N 348.410 1.620 0 40 EDAB Cc1cccc(CN2CCN(C(=O)NCCCn3cncn3)CC2)c1 45648624 DRNJPNXDLXPZMV-UHFFFAOYSA-N 342.447 1.504 0 40 EDAB CN1N=C(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)CCC1=O 72286052 XKCMNIQRVSZVLL-UHFFFAOYSA-N 347.762 1.614 0 40 EDAB CN(C)c1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)cn1 29782061 BSDSLNXJTJXLSF-ZDUSSCGKSA-N 326.404 1.793 0 40 EDAB CN(CC(=O)N(C)[C@@H]1CCc2ccccc21)c1ncnc2[nH]cnc12 56405448 OPIWVACPZMTZQO-CQSZACIVSA-N 336.399 1.935 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1 2784397 WFIHMBFXJSNULP-UHFFFAOYSA-N 345.424 1.537 0 40 EDAB C[C@@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 46923290 BEJSVJJJSIGQRE-VXGBXAGGSA-N 326.418 1.409 0 40 EDAB COCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(N(C)C)n1 20716621 XGGPEHRXUMEGOP-UHFFFAOYSA-N 333.348 1.532 0 40 EDAB Cc1cccc(NC(=O)C2CCN(c3ncnc4[nH]ncc34)CC2)n1 48325409 WPGVGDIKFINVGP-UHFFFAOYSA-N 337.387 1.911 0 40 EDAB CC[C@@H](CNC(=O)CCNC(=O)c1cnccn1)c1ccccc1 48302602 YRHFXPLASPZPSJ-AWEZNQCLSA-N 326.400 1.907 0 40 EDAB COC[C@H](C)NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 408616439 GIQRTUARBNJJIE-LBPRGKRZSA-N 328.434 1.221 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2)c1 13095280 QEICPLWARBUDRP-UHFFFAOYSA-N 334.397 1.404 0 40 EDAB NC(=O)Cn1ccc(NC(=O)Nc2ccc(-n3cccn3)cc2)n1 97164633 NEPXNOFKYGXGLC-UHFFFAOYSA-N 325.332 1.198 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCC(C)(CO)CC1)Cc1ccccc1 97141027 SFLNLZLYBJKSMR-KRWDZBQOSA-N 333.476 1.963 0 40 EDAB NC(=O)Cn1cc2c(n1)[C@@H](NC(=O)Nc1ccc(F)cc1)CCC2 96002663 IRQWEMGLXZLBQM-ZDUSSCGKSA-N 331.351 1.707 0 40 EDAB O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1n[nH]c2c1CCC2 96006297 VNAIPTJEHHQHDB-OAHLLOKOSA-N 340.427 1.395 0 40 EDAB Cc1ccc([C@H](C)NC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)o1 65444489 OYWQOQSYIJVHCV-STQMWFEESA-N 343.449 1.762 0 40 EDAB C[C@@H]1CCN(Cc2cc(=O)n(C)c(=O)n2C)c2ccccc2S1 65488364 ZZIVUEVDQKRGJQ-GFCCVEGCSA-N 331.441 1.975 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1cc(Cl)c[nH]1 65494113 PSANYIZNSZDDJC-UHFFFAOYSA-N 346.818 1.747 0 40 EDAB COC(=O)CNC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 65576502 PWWFXGYTPIQXEW-UHFFFAOYSA-N 342.380 1.899 0 40 EDAB CCOCCN(C[C@H](C)C(=O)OC)C(=O)c1cc(-c2ccco2)[nH]n1 65606511 LULYVRIHMQIWQH-LBPRGKRZSA-N 349.387 1.958 0 40 EDAB C[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1 5585875 MBQXFUVKBDYCNQ-GFCCVEGCSA-N 339.413 1.648 0 40 EDAB CC(C)CCNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 6755963 CYHDTSGDPDPGQV-UHFFFAOYSA-N 337.445 1.827 0 40 EDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)[C@@H]2C[C@H]2C)c1 4806765 IFVRHAFSRWEUGA-BXKDBHETSA-N 349.339 1.398 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 66845334 VWMVSZSRLLHNFR-ZANVPECISA-N 343.786 1.697 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCO2)cc1 23042751 JXVKRLUKFLSOFI-CYBMUJFWSA-N 326.418 1.282 0 40 EDAB COC(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cn3cncn3)c2)C1 71847361 MDEHLBVQIXHUNY-CQSZACIVSA-N 343.387 1.743 0 40 EDAB C[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)N(c3ccc(F)cc3)C2=O)C1 71800147 BXIHZGYGLWBAEB-FZMZJTMJSA-N 333.363 1.899 0 40 EDAB CCN(Cc1ccccc1)C(=O)CN1CCO[C@@H](Cn2cncn2)C1 71876524 WHUIJTWLGBXULB-QGZVFWFLSA-N 343.431 1.028 0 40 EDAB CCOc1ncc(C(=O)N[C@H](C)CN2CCOC2=O)cc1Cl 95395658 VPJKHJQSQYVHAR-SECBINFHSA-N 327.768 1.704 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NC3CCC(O)CC3)CC2=O)cc1 71924342 WJSOOICXIKLXHY-FHERZECASA-N 346.427 1.463 0 40 EDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CC(n2cccn2)C1 69373877 ZGEFTEPQABUKIE-ZDUSSCGKSA-N 339.399 1.504 0 40 EDAB CS(=O)(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 8306533 PBOZPWDZLVHLKO-UHFFFAOYSA-N 344.458 1.183 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N[C@@H](C)[C@H]3CCCO3)CC2=O)cc1 69421302 UCIQEOZTJUAQCZ-YSVLISHTSA-N 346.427 1.727 0 40 EDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc3nncn3c2)cc1 83937926 NKTPUAKNGMTEMQ-AWEZNQCLSA-N 340.339 1.684 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NCCc1ccccc1 69589477 USLANYKVONOSIJ-RBUKOAKNSA-N 343.471 1.821 0 40 EDAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC[C@@H](n2ccnc2)C1 69666307 HNGDOQJUTFSWOV-MRXNPFEDSA-N 349.394 1.906 0 40 EDAB CC(C)N1C[C@@H](C(=O)N2CCC(Nc3cccnn3)CC2)CC1=O 69655454 FLYSQSBBYFLZEC-ZDUSSCGKSA-N 331.420 1.136 0 40 EDAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2ccnc(N(C)C)c2)C[C@@H](C)O1 69652805 QTKBRZUNPGFXJL-UXLLHSPISA-N 346.475 1.861 0 40 EDAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cn1 8516598 IEPQACKIDBNNNV-NSHDSACASA-N 332.360 1.625 0 40 EDAB COCCN1CCN(Cc2nnc(Cc3ccccc3)o2)C[C@@H]1C 69706896 ULWZVZKRTLHRHU-HNNXBMFYSA-N 330.432 1.813 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N[C@@H]2CCCN(Cc3noc(C)n3)C2)on1 69842479 FYYQEOXBDCRLIM-DGCLKSJQSA-N 348.407 1.256 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)CCc2nccs2)CC1 69928298 WUXUXONQMACLRH-ZDUSSCGKSA-N 325.478 1.627 0 40 EDAB CNC(=O)NC(=O)COC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 69982528 KCKICLHDYMSYMN-HNNXBMFYSA-N 347.415 1.348 0 40 EDAB Cc1ccc(OCCN2CCN(Cc3nnc(C)n3C)CC2)cc1 69977055 LFXCEJOVTUGLJG-UHFFFAOYSA-N 329.448 1.629 0 40 EDAB Cc1nc(C[C@@H]2CCCN(c3nnnn3-c3ccccc3)C2)no1 97047813 NKJFBAWXURYVJU-ZDUSSCGKSA-N 325.376 1.813 0 40 EDAB O=C1C[C@H](Nc2ncnc3c2cnn3-c2ccccc2)CN1C1CC1 95406856 AZCHTPVQXFAIHT-LBPRGKRZSA-N 334.383 1.991 0 40 EDAB Cc1cccc(C)c1NCC(=O)NCC(=O)N(C)Cc1cccnc1 95401854 SFFJMQGSXTYKBQ-UHFFFAOYSA-N 340.427 1.885 0 40 EDAB CCOCCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2CO)cc1 95461956 IMDRQWGSGIKVGP-CQSZACIVSA-N 343.445 1.637 0 40 EDAB CNC(=O)[C@@H](NC(=O)c1cnc(NC)s1)c1ccc(F)c(F)c1 95978170 VDUINDHNHWPADL-NSHDSACASA-N 340.355 1.680 0 40 EDAB CN(C(=O)[C@H]1CNC(=O)N1)C1CCN(c2ccc(Cl)cc2)CC1 89335080 HGNBRUOBCPMDHO-CQSZACIVSA-N 336.823 1.449 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NCCN1CCc2ccccc2C1 89904397 IQYKHRNMLQGZJA-HNNXBMFYSA-N 327.432 1.629 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 75606885 YBDRBDSIOAHHHU-WBVHZDCISA-N 344.459 1.429 0 40 EDAB CCc1cccc2c(CC(=O)Nc3nnc(S(C)(=O)=O)[nH]3)c[nH]c12 75610066 RXSKETAIGPZBSL-UHFFFAOYSA-N 347.400 1.433 0 40 EDAB CN(CCCN1CCOCC1)[C@H]1CCN(c2ccccc2F)C1=O 75740692 MWEWUPOYLCYPNV-KRWDZBQOSA-N 335.423 1.585 0 40 EDAB CCN1C[C@H](C)[C@H](NS(=O)(=O)Cc2cccc3cccnc23)C1 76058590 KHUPSOQEMDQTFE-XJKSGUPXSA-N 333.457 1.994 0 40 EDAB CN(C)[C@H](CNC(=O)C(=O)NCCc1ccccc1)c1cccs1 23106636 SRVAGUBNAWKUBH-OAHLLOKOSA-N 345.468 1.826 0 40 EDAB CCc1nnc2ccc(N3CCC[C@H](C(=O)NCC4CC4)C3)nn12 68667305 SEHPUKXXNMVITO-ZDUSSCGKSA-N 328.420 1.429 0 40 EDAB COc1ccccc1NC(=O)Cc1noc(C(=O)NCC(C)C)n1 36360454 KLSTVOXKXVMBJS-UHFFFAOYSA-N 332.360 1.645 0 40 EDAB O=C(CNC(=O)c1ccco1)NC[C@@H](c1ccco1)N1CCCCC1 33024209 KOWAPTVGFHXFDJ-AWEZNQCLSA-N 345.399 1.946 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C(=O)[C@H]12 409287153 SOCSTSAMTPGLPP-YSDCJEDRSA-N 331.368 1.047 0 40 EDAB COc1ccc([C@H]2NNC(=O)[C@H]2NC(=O)c2ccc(C)cc2)cc1 214341078 OMVHALIIOIIPHO-CVEARBPZSA-N 325.368 1.478 0 40 EDAB COc1cccc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c1 38679512 FGJIUOBUIUTPBD-UHFFFAOYSA-N 338.351 1.564 0 40 EDAB O=C(CN1CCOc2ccc(Cl)cc21)NCCCn1ccnc1 72793463 RUAFIGTTXXSRAG-UHFFFAOYSA-N 334.807 1.942 0 40 EDAB O=c1c2c3c(nn2cnn1C[C@@H]1COc2ccccc2O1)CCCC3 225585082 FNAGDMFWXGTJBZ-GFCCVEGCSA-N 338.367 1.610 0 40 EDAB COc1ccc(-c2ccc(=O)n(CC(=O)NCC(C)C)n2)cc1OC 44902523 RUKWGQUMSKYBLR-UHFFFAOYSA-N 345.399 1.700 0 40 EDAB CC(C)CN1C[C@@H](C(=O)NCCc2nc3ccccc3[nH]2)CC1=O 45883888 OLDWAONNPPVTGA-ZDUSSCGKSA-N 328.416 1.726 0 40 EDAB CC1=NNC(=O)[C@H]1CCNC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 528551678 ONKFQJITTNPJJR-QWHCGFSZSA-N 337.326 1.715 0 40 EDAB COCCc1noc(CN(C)C(=O)[C@H]2NCCc3ccccc32)n1 195543602 SAAJCBSHVDPAPY-INIZCTEOSA-N 330.388 1.104 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)Nc1ccc(S(C)(=O)=O)cc1 225649552 YFBDNMWBNXMONH-UHFFFAOYSA-N 336.369 1.050 0 40 EDAB CN(C)C(=O)CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1 226751175 FUDSFJKVMXRXSX-UHFFFAOYSA-N 340.305 1.709 0 40 EDAB CO[C@H](C)CS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 225676114 IFFRVLWBRLGQLN-SQWLQELKSA-N 326.462 1.461 0 40 EDAB CCN1CCN(c2ccnc3c2c(C)nn3C)C[C@H]1c1ncc[nH]1 575603598 IRFQJZGXCQOIFQ-AWEZNQCLSA-N 325.420 1.883 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(CC2CCC2)CC1 583651451 MBUUJMZJRUBZKV-UHFFFAOYSA-N 340.493 1.533 0 40 EDAB Cc1cnc2n(c1=O)C[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CS2 85473711 ADXBCGRWPICFGI-SNVBAGLBSA-N 345.380 1.641 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 96055471 AQGZENVWZRHBLK-NUEKZKHPSA-N 340.383 1.570 0 40 EDAB O=C(c1cccnc1)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 96202329 CGRGYKYFHGSBQI-GOSISDBHSA-N 339.399 1.241 0 40 EDAB CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1nn(C)c2ccccc12 96042006 HTTHXNOMXRONRO-YQQAZPJKSA-N 329.400 1.982 0 40 EDAB COC(=O)N1CC[C@@H](NC(=O)c2cc(Br)cn2C)C1 96431246 QCAUXYZGQAPCMR-SECBINFHSA-N 330.182 1.358 0 40 EDAB CS(=O)(=O)N1CCCn2cnc(COCc3ccco3)c2C1 96259991 CIYBODYDOMUENI-UHFFFAOYSA-N 325.390 1.358 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)cc1 96184508 MVIONYWOHOIFIK-KGLIPLIRSA-N 326.393 1.003 0 40 EDAB O=C(O)c1c(-c2ccncc2)ncc2c1CCN([C@@H]1CCOC1)C2 96189254 BDTUYVCSRAPMEC-CQSZACIVSA-N 325.368 1.989 0 40 EDAB C[C@@H](CNC(=O)NC[C@H]1CN(C)CCN1C)Oc1cccc(F)c1 96440138 UGEICPMNJWVZEV-ZFWWWQNUSA-N 338.427 1.138 0 40 EDAB c1cnc(N2Cc3ccnn3C[C@@H](COCc3cccnc3)C2)nc1 96189156 QJELBMFPFXGQPB-INIZCTEOSA-N 336.399 1.921 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)[C@@H]1C 239722374 CCNNWTCLHPDYOM-GPODMPQUSA-N 330.428 1.734 0 40 EDAB CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 96110738 IVZDLVKLCDBECW-FVQBIDKESA-N 338.473 1.975 0 40 EDAB CCn1cc(Br)c(=O)c(NC(=O)[C@H]2CCO[C@@H]2C)c1 97374316 COVCAYDRZHFLNY-BDAKNGLRSA-N 329.194 1.994 0 40 EDAB C[C@H]1N(C)C(=O)COC12CCN(C(=O)CCc1ccccc1)CC2 96201522 OPACJSRFHYDCGX-OAHLLOKOSA-N 330.428 1.858 0 40 EDAB Cc1occc1C(=O)N1Cc2nccn2C[C@@H](CN2CCCC2=O)C1 96188441 JDHSSEDDZHMVQO-AWEZNQCLSA-N 342.399 1.679 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)cn1 96209447 RESHOFNNPYSIAV-ZWKOTPCHSA-N 341.411 1.956 0 40 EDAB CN(C)C(=O)COC[C@H]1CC[C@H]2[C@H](CCN2Cc2nccs2)O1 96064776 KCNUGKALWMXDSA-RDBSUJKOSA-N 339.461 1.370 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)no1 96042213 YXTDUDCAPDZAFS-YESZJQIVSA-N 343.383 1.967 0 40 EDAB O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CCN(C(=O)c2ccccn2)C1 96483102 OODYFNHNIMOSRJ-CYBMUJFWSA-N 345.349 1.933 0 40 EDAB Cc1nnc([C@@]23CCO[C@@H]2CCN(C(=O)c2c(C)noc2C)C3)o1 96038816 GOAKWFYSAPQOME-MLGOLLRUSA-N 332.360 1.556 0 40 EDAB Cc1cccc(CN2Cc3nccn3C[C@H](CN3CCOCC3)C2)n1 96188504 CPAYJKKXVQLRFW-QGZVFWFLSA-N 341.459 1.551 0 40 EDAB Cc1nnc(NC(=O)c2cc(C(C)C)nc(N3CCOCC3)n2)s1 96100949 KLGZKCZKWSBWBF-UHFFFAOYSA-N 348.432 1.849 0 40 EDAB CCCS(=O)(=O)N1CC[C@@]2(CN(CC3CC3)C[C@H]2COC)C1 96216249 YHZJXNHJLWKUNR-JKSUJKDBSA-N 330.494 1.407 0 40 EDAB O=C(c1ccco1)N1Cc2nccn2C[C@H](Cn2ncccc2=O)C1 96188731 GQBSZIIOGDSYOS-ZDUSSCGKSA-N 339.355 1.005 0 40 EDAB CC(C)CCn1ccc(NC(=O)C2(S(C)(=O)=O)CCCC2)n1 331185129 UEFPMHCPCDARNP-UHFFFAOYSA-N 327.450 2.225 0 40 EDAB O=C(c1cccnc1)N1CC[C@@]2(C[C@@H](N3CCCC3=O)CCO2)C1 96207603 OZYLFRLVAXTIBF-MAUKXSAKSA-N 329.400 1.468 0 40 EDAB C[C@H](NC(=O)NC[C@@H](O)c1cnn(C)c1)c1csc(C2CC2)n1 96440211 AYAHFFDQGQBHLD-TVQRCGJNSA-N 335.433 1.848 0 40 EDAB Cc1nnc2n1C[C@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 97199410 QWLNIUZTOJITNA-JOYOIKCWSA-N 334.811 1.567 0 40 EDAB O=C(NC[C@H]1CCC2(CN(Cc3ccccn3)C2)OC1)c1ccno1 247468222 DJDIIJYRCSWSJD-CQSZACIVSA-N 342.399 1.481 0 40 EDAB O=C(NCc1cccs1)[C@H]1CN(C2CCOCC2)Cc2cncn21 247484892 KGZRJIBRABEIKQ-MRXNPFEDSA-N 346.456 1.797 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CC[C@@H](N3CCN4C(=O)CC[C@H]4C3)C2)cn1 585079716 YRNRCQGSQOINPY-ZACQAIPSSA-N 342.443 1.348 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC[C@@H]2CCc2ccncc2)CC1 257282688 OUVBUTNWDBJUPF-GOSISDBHSA-N 331.460 1.852 0 40 EDAB Cc1nc(C[C@@H]2CCCN(C(=O)C3CCOCC3)C2)cc(C(N)=O)n1 257308243 TVZMCWYMWDRABR-ZDUSSCGKSA-N 346.431 1.092 0 40 EDAB Cc1noc(Cl)c1CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C 585655533 LCYMAYYSHAFZEA-NEPJUHHUSA-N 340.811 1.582 0 40 EDAB CN(C)C(=O)[C@@]1(CCCc2ccccn2)CCCN(C(=O)CN)C1 257218199 DCFLJVDFDFIUHO-SFHVURJKSA-N 332.448 1.060 0 40 EDAB CCc1cc(C(=O)N[C@H]2CCN(c3ncccc3F)C2)c(C)nn1 544809409 YTLILLHMSFPSME-ZDUSSCGKSA-N 329.379 1.890 0 40 EDAB Cc1cncc(C(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)c1 257213833 CJGFROAQEUZUJR-LJQANCHMSA-N 340.427 1.889 0 40 EDAB COc1ccccc1-c1noc(C2CN(S(=O)(=O)C3CC3)C2)n1 85467303 JQXKIJRBUXXKIR-UHFFFAOYSA-N 335.385 1.637 0 40 EDAB Cc1c[nH]c([C@@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1 257265689 LZWMPOTXGUEQOM-HNNXBMFYSA-N 329.356 1.703 0 40 EDAB CN(CCO)C[C@@H]1COCCN1C(=O)Cc1cccc2ccccc12 85470032 CWSWNQDLIBUWLK-GOSISDBHSA-N 342.439 1.534 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1 257296490 RDCBDAYNXYNRIX-CYBMUJFWSA-N 348.428 1.536 0 40 EDAB CC(C)N1C(=O)N[C@@H]2CN(c3ccc(S(C)(=O)=O)cc3)CC[C@@H]21 284526866 JLQOZPIKTSIXGX-CABCVRRESA-N 337.445 1.471 0 40 EDAB CCc1cnc(CN(C)C(=O)[C@@H]2CNC[C@H]2c2cn(C)cn2)s1 1614995868 MXUOAIBJCYADCT-CHWSQXEVSA-N 333.461 1.401 0 40 EDAB C[C@H](CCc1ccc(O)cc1)NC(=O)N1CC2(C1)CS(=O)(=O)C2 1615591175 QIBVCSWWMNTTIO-GFCCVEGCSA-N 338.429 1.153 0 40 EDAB CCn1cnnc1CNS(=O)(=O)[C@@H]1Cc2ccccc2[C@H]1OC 1615623263 RUIHDTSODZIHKK-UKRRQHHQSA-N 336.417 1.030 0 40 EDAB Cn1nc(-c2ccccc2)cc1C(=O)Nc1cc(-n2cncn2)ncn1 96025252 QYSYDKGZPYYSLW-UHFFFAOYSA-N 346.354 1.710 0 40 EDAB CN(C)C[C@@H]1CO[C@@H]2CN(C(=O)c3cn(C)c4ccccc34)C[C@@H]21 575404326 NANUJCPQQBWFLZ-DDUZABMNSA-N 327.428 1.827 0 40 EDAB C[C@@H]1CCc2nc(C(=O)N3CCCN(CC(F)F)CC3)cn2C1 585141436 UQLHPILGKYAINQ-GFCCVEGCSA-N 326.391 1.878 0 40 EDAB Cc1ccc(OC[C@@]2(O)COCCN(Cc3c(C)n[nH]c3C)C2)cc1 585275557 GKTBOUNHAIXIQT-IBGZPJMESA-N 345.443 1.977 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)c2cncnc2C)C1 585277811 PPHFVGWIYBCDEP-GOSISDBHSA-N 327.384 1.749 0 40 EDAB COc1ncc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H](O)C2)cn1 585279864 RJUCZWUWULETBL-ZBFHGGJFSA-N 327.384 1.551 0 40 EDAB CNC(=O)[C@@H]1CCC[C@@H]1Nc1nc2c(c(C)nn2C)c(Cl)c1C 585142350 UBHKCGLHNAYZLV-MNOVXSKESA-N 335.839 2.565 0 40 EDAB CC(C)n1cnc(S(=O)(=O)NCc2cc(C(=O)O)ccc2F)c1 685938838 PSLIDVPIVJISGQ-UHFFFAOYSA-N 341.364 1.780 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)N(C)Cc2ccco2)n1 69632888 TXASOJXCBHWLNY-HNNXBMFYSA-N 331.420 1.611 0 40 EDAB CC(C)c1noc(CNc2cc(C(=O)NCCC(N)=O)ccc2F)n1 69653784 QZOIIGRKSPVFDG-UHFFFAOYSA-N 349.366 1.549 0 40 EDAB CCN(CCNC(=O)[C@H]1CC(=O)N(CCOC)C1)c1ccccc1C 46992480 XRRUYQMUGKIJMO-INIZCTEOSA-N 347.459 1.432 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2 1565520511 XALOZLMYMOWAEC-KBPBESRZSA-N 349.460 1.790 0 40 EDAB C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(c2ccccc2F)CC1 57355212 LMURWSBBVAPOKC-LBPRGKRZSA-N 334.395 1.324 0 40 EDAB CN1CC(=O)N(CC(=O)Nc2cccc(N3CCCCCC3)c2)C1=O 75145269 MKHIMUNKTQXTJU-UHFFFAOYSA-N 344.415 1.900 0 40 EDAB Cn1nc2c(cc1=O)CN(Cc1cc(Cl)c3c(c1)OCO3)CC2 78622588 KZEFMECPMHUOCH-UHFFFAOYSA-N 333.775 1.721 0 40 EDAB CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 96025316 OPPVCVZRHQOWLS-HNNXBMFYSA-N 343.470 1.373 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CC[C@@H](Oc2cnsn2)C1 675007974 IHPVYZJQXKZQNZ-ZWNOBZJWSA-N 333.369 1.358 0 40 EDAB O=C(Nc1cc2ccccn2n1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 554416333 RYYSFEIDHOGUGV-RRFJBIMHSA-N 330.388 1.728 0 40 EDAB CCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)cc1 5952123 DGUPNGRGMKZIAX-LDDOYCOJSA-N 329.352 1.281 0 40 EDAB CC(C)[C@@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1)C(=O)O 16033911 NJSOWTUKQDZKML-OAHLLOKOSA-N 334.420 1.669 0 40 EDAB CN1C[C@@H](C(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)CC1=O 19289537 FDICMUHBNISIQJ-VIFPVBQESA-N 345.428 1.083 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C(=O)O)C(C)C)CC2=O)cc1 8236088 KCSONDBGRXLCHV-XHDPSFHLSA-N 334.372 1.274 0 40 EDAB biogenic O=C(NC[C@@H]1C[C@H](F)CN1Cc1nccs1)c1ncccc1O 583621804 UJYNVKIVOCQAMK-QWRGUYRKSA-N 336.392 1.586 0 40 EDAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC(N)=O)n2N)cc1 3529259 OEEHBZCDLBSIES-UHFFFAOYSA-N 348.432 1.243 0 40 EDAB Cc1nc(C)c(F)c(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 1888899356 HSNCWFLJPJQRPS-UHFFFAOYSA-N 328.355 1.225 0 40 EDAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCCC2)C1=O 15399156 WDPJDZCNGQGFEL-INIZCTEOSA-N 337.326 1.354 0 40 EDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)n1cccc/c1=N\C(C)C 23198216 XNXUTYHRBVDCNW-XDHOZWIPSA-N 326.356 1.634 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(F)cc1F 24689626 HXBQOTYDRMDIAP-LLVKDONJSA-N 332.372 1.509 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1 2216644 ACMGZIDPZOCRGX-UHFFFAOYSA-N 325.386 1.417 0 40 EDAB CS(=O)(=O)N1CCCN(Cc2ccc(Br)cc2)CC1 24921403 BCXDHTPZLOVVKM-UHFFFAOYSA-N 347.278 1.916 0 40 EDAB COCCN1CCC[C@](CCCc2cnccn2)(C(=O)N(C)C)C1 2037655571 HSWQPXZMTDMUSC-SFHVURJKSA-N 334.464 1.616 0 40 EDAB CNC(=O)C[C@@H]1OC[C@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC[C@@H]12 1565552560 ZONPDDZAZOWYPB-MXWKQRLJSA-N 346.353 1.402 0 40 EDAB CC(=O)c1cc(C(=O)N2CCc3ncnc(-c4cccnc4)c3C2)n[nH]1 1565556158 OUWIQKCNSLLJIO-UHFFFAOYSA-N 348.366 1.663 0 40 EDAB Cc1ccc2nc(NC(=O)CSC3=NC(=O)CC(=O)N3)sc2c1 3664785 MLPYBMDJBHQIPK-UHFFFAOYSA-N 348.409 1.679 0 40 EDAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCCOC)ccc2c1=O 3906557 QJMSEVZUPGUSFU-UHFFFAOYSA-N 333.388 1.256 0 40 EDAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)COC)c2)nn1 9626879 WWDOJKABYHWGRS-UHFFFAOYSA-N 335.385 1.522 0 40 EDAB CC(C)CN(C)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713328 BAPIUCBJVACRHE-AWEZNQCLSA-N 332.448 1.796 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2cccc(C)c2)C1 2055771529 FOZDTARCWHONDM-GOSISDBHSA-N 326.400 1.569 0 40 EDAB COc1ccc(OC)c2c1s/c(=N/C(=O)c1ccnn1C)n2C 101335275 CWGFUPJPMCBDHO-BMRADRMJSA-N 332.385 1.732 0 40 EDAB CO[C@H](CNS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccco1 206865057 JXYPWBUWXJWUNE-OAHLLOKOSA-N 338.385 1.904 0 40 EDAB O=C(NCCOc1ccccc1)NCCn1nc(C2CC2)ccc1=O 575620459 RDPPQTVGCVYBHP-UHFFFAOYSA-N 342.399 1.499 0 40 EDAB Cc1cc(CCC(=O)N2CC(N3C(=O)[C@H]4C[C@@H]4C3=O)C2)ccc1Cl 585387719 SUFXRCGIDWNNKT-KBPBESRZSA-N 346.814 1.797 0 40 EDAB Cc1ccn(-c2ccc(N3CCN([C@H]4CCCC[C@H]4O)CC3)nn2)n1 2298178396 BLPBDCVTRUJEGJ-JKSUJKDBSA-N 342.447 1.396 0 40 EDAB CC(C)c1ccc2c(c1)CCCN2C(=O)Cn1ccc(=O)n(C)c1=O 40090505 LRMCWIRNPBHADS-UHFFFAOYSA-N 341.411 1.650 0 40 EDAB COc1ccc(N2C(=O)c3sc4nnc(C)c(=O)n4c3C2=O)cc1 55938 JXKRXBOKYPATIQ-UHFFFAOYSA-N 342.336 1.269 0 40 EDAB CC[C@@H]1CN(C(=O)c2cn(-c3ccc4c(c3)OCCO4)nn2)CCO1 30848762 RSBMHPIQJGTFEP-CYBMUJFWSA-N 344.371 1.290 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc(N2CCOCC2)cn1 30976127 KSLFTZLLFPHBOJ-UHFFFAOYSA-N 329.404 1.450 0 40 EDAB O=S(=O)(N1CCCCC1)N1CCC(c2nnc3ccccn23)CC1 40490067 URMMOQWEZFOASD-UHFFFAOYSA-N 349.460 1.639 0 40 EDAB CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn32)cc1 31817065 QWBCDDNZZOFYJI-LBPRGKRZSA-N 328.332 1.067 0 40 EDAB Cc1noc(C)c1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40539018 RWFSMIKNVLPLFW-MRXNPFEDSA-N 328.328 1.598 0 40 EDAB O=C(CCn1cccn1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 40522869 RQSRLVYWAWECQD-UHFFFAOYSA-N 340.427 1.553 0 40 EDAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 31997638 FOWQAULZXKGUSK-AWEZNQCLSA-N 335.429 1.271 0 40 EDAB CC(=O)Nc1ccc(OCc2noc(C(=O)N3CCOCC3)n2)cc1 20726230 WXGWZYGQEQRFMG-UHFFFAOYSA-N 346.343 1.079 0 40 EDAB C[C@H]1CN(c2ccc(CNc3ncnc4nc[nH]c34)cn2)C[C@H](C)O1 52219324 CTKMLQRBYNSKTK-RYUDHWBXSA-N 339.403 1.974 0 40 EDAB C[C@@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2 32803246 VRUPCTMYRUCSEY-GHMZBOCLSA-N 340.401 1.210 0 40 EDAB O=C(COC(=O)c1ccccc1OC(F)F)NC[C@@H]1CCCO1 21751285 XPAVPHSPLGFZHU-JTQLQIEISA-N 329.299 1.740 0 40 EDAB CN1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1 41362585 BUHOEJMEEVBCJI-UHFFFAOYSA-N 326.444 1.992 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3cc4c(F)cccc4s3)CC2)N1 22281576 YLMHHMALDZVHOG-UHFFFAOYSA-N 347.371 1.855 0 40 EDAB Cc1cc(CN2CCN(S(=O)(=O)c3ccc(C)s3)CC2)on1 22245955 BVGVTVMWOUWORO-UHFFFAOYSA-N 341.458 1.859 0 40 EDAB O=c1c2ncn(CCN3CCCCC3)c2ncn1CN1CCCCC1 74880 PRTDKCJMCZWICS-UHFFFAOYSA-N 344.463 1.522 0 40 EDAB Cc1noc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)n1 77818114 PRFCNXOJZCDSHP-UHFFFAOYSA-N 328.250 1.652 0 40 EDAB CC(=O)N1CCc2ccc(S(=O)(=O)NCc3ncccc3C)cc21 78754070 QBXQUSBWJQHTDK-UHFFFAOYSA-N 345.424 1.778 0 40 EDAB CCOC(=O)[C@@H]1CN(C(=O)c2ccoc2)CCN1C(=O)c1ccoc1 78879254 VSQUWFZHSYYULC-AWEZNQCLSA-N 346.339 1.403 0 40 EDAB CCN1CC[C@@H](N(C)Cc2csc(CS(C)(=O)=O)n2)C[C@@H]1C 78950243 LQLXKXIGVLWYQE-GXTWGEPZSA-N 345.534 1.992 0 40 EDAB NC(=O)N1CCC(C(=O)NCc2ccccc2Cn2cccn2)CC1 54484223 HIYUIYQFSXESRH-UHFFFAOYSA-N 341.415 1.338 0 40 EDAB CCC[C@@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 4064682 BURPPJJGQCWDGP-CYBMUJFWSA-N 333.340 1.719 0 40 EDAB biogenic C[C@H](OCC(F)(F)F)C(=O)NCc1ccc(N2CCOCC2)nc1 42876940 XOQBEGDWJYWLID-NSHDSACASA-N 347.337 1.502 0 40 EDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(OC)nc2)c1 24153362 BERNJZTYBUNJEG-UHFFFAOYSA-N 336.369 1.842 0 40 EDAB CNC(=O)c1cccc(NC(=O)COC(=O)c2ccc(O)cc2)c1 7099408 LEMUIOTXIKBAPU-UHFFFAOYSA-N 328.324 1.547 0 40 EDAB NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 7770527 JMDJYWJOLSMUQF-OAHLLOKOSA-N 337.379 1.773 0 40 EDAB Cn1nccc1CN1C[C@H](C(=O)NCc2cccs2)[C@H]2OCC[C@H]21 108532415 XXFJQPWRIZGCJJ-ARFHVFGLSA-N 346.456 1.387 0 40 EDAB Cc1cc(NC(=O)COC(=O)CCC(=O)NCc2ccccc2)no1 8433594 URRUPRBNJWOFTD-UHFFFAOYSA-N 345.355 1.561 0 40 EDAB CCc1cc(NC(=O)C(=O)NC[C@@H]2CCc3ccccc3C2)n(C)n1 95399157 VQYBKSMYCSNXHR-CYBMUJFWSA-N 340.427 1.842 0 40 EDAB O=C(COC(=O)c1cc2c(s1)CCC2)NCC(=O)N1CCCC1 43832238 WDDCVPIIIOAGDJ-UHFFFAOYSA-N 336.413 1.132 0 40 EDAB CCN1CC[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)C[C@@H]1C 108085244 CMKQQSKNKVUYBV-YTQUADARSA-N 345.487 1.876 0 40 EDAB C[C@@H](c1ccccc1Cl)N1CCN(C(=O)Cn2cnnn2)CC1 44705093 PFBKRNJMEDXULM-LBPRGKRZSA-N 334.811 1.232 0 40 EDAB CCC(=O)N[C@](Nc1ncc(C)s1)(C(=O)OC)C(F)(F)F 2050398 ISFOVPKSDHNHOV-JTQLQIEISA-N 325.312 1.821 0 40 EDAB C[C@H](Nc1ccc(F)c(Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 12694660 CQZNESIHWXTPSF-WCBMZHEXSA-N 334.800 1.583 0 40 EDAB CCOC(Cn1cc(C(=O)Nc2ccc3[nH]ncc3c2)nn1)OCC 58228609 LUJSISHZRFSZOI-UHFFFAOYSA-N 344.375 1.806 0 40 EDAB CC(C)c1ccc(O)c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 58228470 MWTFQNYBMXUQHY-QGZVFWFLSA-N 346.427 1.979 0 40 EDAB O=C(CSCC(=O)c1ccccc1)NCc1nnc2n1CCCC2 58265953 FSYYXMNYSULVDW-UHFFFAOYSA-N 344.440 1.847 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N1CCC[C@@H](C(N)=O)C1)=C2 44939225 FCZNHXLOKPQSNJ-CYBMUJFWSA-N 330.384 1.585 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H](C)S(C)(=O)=O)cc2)n1 44952435 DRYWLIZQMFEJQN-CQSZACIVSA-N 349.456 1.581 0 40 EDAB CC(C)N1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1 44916168 FPVSHYJZPHXAKJ-UHFFFAOYSA-N 336.417 1.117 0 40 EDAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)NCc1cc[nH]n1 44970439 XINYWLVGGYMFDE-UHFFFAOYSA-N 346.410 1.170 0 40 EDAB CCn1cnnc1CNC(=O)N1CCN(Cc2ccccc2F)CC1 44970879 YXFDGTWIXQCJDI-UHFFFAOYSA-N 346.410 1.465 0 40 EDAB CCN(CCn1cncn1)CC(=O)Nc1ccc(NC(C)=O)cc1 58307163 JYHWJTHVDKMMRH-UHFFFAOYSA-N 330.392 1.197 0 40 EDAB O=C(CCNCc1cnc(N2CCCC2)nc1)NCc1ccccc1 58325129 HJSZOFHAGPGYMI-UHFFFAOYSA-N 339.443 1.873 0 40 EDAB Cn1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1=O 28435671 VQGUXBNFIOLOLA-UHFFFAOYSA-N 341.411 1.222 0 40 EDAB O=C(NCc1ccc(F)cc1)c1ccccc1CN1C(=O)CNC1=O 10963086 JVGARZSQWATXFW-UHFFFAOYSA-N 341.342 1.808 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(CN2CCOC2=O)c1 48343853 CXQMDJOHUCWTEB-WFASDCNBSA-N 345.399 1.740 0 40 EDAB CCn1cnnc1CNC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 48333155 SRJADJFTYNZHSI-OAHLLOKOSA-N 345.403 1.190 0 40 EDAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1 36614603 CHZULRKTMJGFNM-OAHLLOKOSA-N 349.456 1.282 0 40 EDAB Cn1cc(CN2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)cn1 108531222 QEEZYILJYDDBIV-ROUUACIJSA-N 327.432 1.290 0 40 EDAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(CNS(C)(=O)=O)o1 84762963 UCNLZQLUSVUCBG-BZNIZROVSA-N 348.424 1.992 0 40 EDAB O=C(COc1ccccc1)NCC(=O)N1CCC[C@H]1c1ccncc1 36700762 UICWTLSQUQSCEG-KRWDZBQOSA-N 339.395 1.940 0 40 EDAB O=C(O)c1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1 66157401 GCMGGIOYKZYJRJ-YVKOIJOCSA-N 341.344 1.220 0 40 EDAB Cc1cc(C)n2nc(SCC(=O)NC(=O)NC3CCCC3)nc2n1 3452749 GJCZOEMLWQHWPQ-UHFFFAOYSA-N 348.432 1.602 0 40 EDAB NC(=O)NC(=O)COC(=O)c1cccnc1Nc1ccccc1F 3412875 GFJAXVWEWHNGEF-UHFFFAOYSA-N 332.291 1.316 0 40 EDAB CN(C(=O)/C=C/c1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1 12912466 YOKZYHTUHMZOOM-KIUWMYQTSA-N 330.409 1.894 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CCCN(S(C)(=O)=O)CC3)cc2c1C 12981654 SLJLTBXTCAPRFS-UHFFFAOYSA-N 349.456 1.892 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N1CCC(OCc2ccccc2)CC1 12907399 LVOLIOBTZOOGCW-AWEZNQCLSA-N 333.432 1.902 0 40 EDAB NC(=O)C1CCN(C(=O)c2ccc(Br)cc2F)CC1 13004244 LWDVQQJLUSUMPZ-UHFFFAOYSA-N 329.169 1.926 0 40 EDAB C[C@]1(CO)CCCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 96007765 QWTUNJXAEZOILD-LBPRGKRZSA-N 338.351 1.884 0 40 EDAB CCOC(=O)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1 4041737 HFONFDOIGODJRZ-ZUMXRPEOSA-N 343.335 1.234 0 40 EDAB biogenic O=C(NCCN1CCCCC1)c1coc(=O)c(Br)c1 5054712 UAEYQQGRYCHCSU-UHFFFAOYSA-N 329.194 1.618 0 40 EDAB COc1cc(OC)cc(C(=O)NCCCNC(=O)c2ccco2)c1 5015353 GANYPGNEDIKKRF-UHFFFAOYSA-N 332.356 1.847 0 40 EDAB Cc1cccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)n2)c1 65542913 SDGXDUNJARMIPC-UHFFFAOYSA-N 333.413 1.958 0 40 EDAB CCN(CC)[C@H](CNC(=O)C(=O)Nc1cccnc1)c1ccco1 65602218 KPEPXSIHKNHUNQ-CQSZACIVSA-N 330.388 1.812 0 40 EDAB COc1ccnc(N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)n1 65611282 BYNUQGUIGZVRGZ-NSHDSACASA-N 330.392 1.629 0 40 EDAB CCOc1ccc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 5452513 MZHRGCZLZRWCSI-UHFFFAOYSA-N 325.324 1.867 0 40 EDAB Cc1ccc2cccc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)c2n1 14358761 IIBBFZVRKPTWPM-ZDUSSCGKSA-N 334.397 1.225 0 40 EDAB COC[C@]1(C)NC(=O)N(Cc2nc(-c3ccccc3C)no2)C1=O 66083656 BBTRJDMSCFKTTJ-INIZCTEOSA-N 330.344 1.502 0 40 EDAB COc1ccc(OCC(=O)Oc2ccc(-n3cnnn3)cc2)cc1 5632023 JAMKOUCBMJCUHG-UHFFFAOYSA-N 326.312 1.655 0 40 EDAB COC[C@@H](C)NC(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 66982424 WWWYGZLTSUIDAY-CZUORRHYSA-N 339.411 1.533 0 40 EDAB COC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 15276492 RGSDRBMHTDALNV-HACGYAERSA-N 332.356 1.352 0 40 EDAB Cc1cc(N2N=C(c3ccco3)C[C@]2(O)C(F)(F)F)nc(N)n1 4942634 JSZOWRVLIWHNAV-LBPRGKRZSA-N 327.266 1.826 0 40 EDAB CC(C)(NS(C)(=O)=O)C(=O)NCc1cc2c(s1)CCCCC2 96426325 VMYMLIDWLAILLH-UHFFFAOYSA-N 344.502 1.961 0 40 EDAB CC[C@H](C)n1ncc(C(=O)N2CCN([C@H](C)C(N)=O)CC2)c1C1CC1 90050136 BODXIXAKEXMRIO-QWHCGFSZSA-N 347.463 1.363 0 40 EDAB COc1nc(C)cc(C)c1CNC(=O)N1CCC(N(C)C(C)=O)CC1 67471685 JANHPTCGDKRFGO-UHFFFAOYSA-N 348.447 1.859 0 40 EDAB Cc1ccc(F)c2c1CCCN2CC(=O)N[C@@H]1CCS(=O)(=O)C1 68859290 ZGHDCRKCPFVDOP-GFCCVEGCSA-N 340.420 1.190 0 40 EDAB COc1ccc(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)c(OC)c1 71915388 MIMSYNBCNMHFAQ-VIFPVBQESA-N 346.305 1.597 0 40 EDAB O=C(CN[C@H]1CCCN(c2cccnn2)C1)NCc1cccs1 70003767 JIXZBFYEZPRJPZ-ZDUSSCGKSA-N 331.445 1.413 0 40 EDAB Cc1noc([C@@H](C)N2CCN([C@H](C(N)=O)c3ccc(F)cc3)CC2)n1 69386958 PNSMMFOWELEVKK-ABAIWWIYSA-N 347.394 1.422 0 40 EDAB CC(C)NC(=O)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 8318310 FFAIQPZWRUBUIC-AWEZNQCLSA-N 347.415 1.829 0 40 EDAB Cc1nccc(C(=O)N2CCCN(Cc3cnn(C(C)C)c3)CC2)n1 69459700 BFFIQNCDFDJLBT-UHFFFAOYSA-N 342.447 1.911 0 40 EDAB CCn1ccnc1CN1CCN(CC(=O)N[C@@H](C)c2ccco2)CC1 69436868 FUOPDLKGJDOPPD-HNNXBMFYSA-N 345.447 1.491 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3cccn3)C2)cc1 69418274 CNKVIARHTKBOTD-CQSZACIVSA-N 348.428 1.269 0 40 EDAB COc1ccc([C@@H]2C[C@@H]2NC(=O)C(=O)Nc2cccnc2OC)cc1 69493691 OESIMIAJUVOCGB-ZFWWWQNUSA-N 341.367 1.710 0 40 EDAB CN(Cc1ccc(O)cc1)C(=O)NCCN1CCC(N(C)C)CC1 95976241 FLJPZQFVAINQJP-UHFFFAOYSA-N 334.464 1.560 0 40 EDAB O=C(CCc1ccco1)Nc1ncn(CC(=O)N2CCCCCC2)n1 69568305 AEINLKBNZWGPKK-UHFFFAOYSA-N 345.403 1.845 0 40 EDAB COc1c(CNC2CCN(C(=O)c3ccco3)CC2)c(C)nn1C 69512585 UBQJKONOGYOGFF-UHFFFAOYSA-N 332.404 1.725 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)Cn3nc(C)cc3C)CC2)n1 69518326 GYPBFYWMFCVMDF-UHFFFAOYSA-N 344.419 1.037 0 40 EDAB CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408591039 HZOMXZGIJLCFCC-INIZCTEOSA-N 332.425 1.712 0 40 EDAB O=C1C[C@H](C(=O)N2CCC(Nc3cccnn3)CC2)CN1CC1CC1 69655173 PRKVAKLMMUPFEX-AWEZNQCLSA-N 343.431 1.138 0 40 EDAB COc1cccc2c1OCC(C(=O)N1CCn3c(C)nnc3C1)=C2 69843556 NCCUVVYSVOTOCK-UHFFFAOYSA-N 326.356 1.413 0 40 EDAB O=C(NCC[C@H]1CCOC12CN(C(=O)C1CCC1)C2)c1ccncc1 306131930 KTILWAIAAVUJHB-INIZCTEOSA-N 343.427 1.619 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)Cc2cccc(F)c2)CC1 69917471 LVWRAMUJHYAARH-UHFFFAOYSA-N 330.407 1.836 0 40 EDAB CN1C(=O)CCc2cc(NC(=O)[C@H]3CC(=O)N(CC4CC4)C3)ccc21 69977466 OQNDGHVXHULLPW-AWEZNQCLSA-N 341.411 1.793 0 40 EDAB NC(=O)N1CCC(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)CC1 84136601 VGZYFFQJZWSYSK-LBPRGKRZSA-N 333.392 1.401 0 40 EDAB Cn1nc(C(=O)NCCCOC[C@@H]2CCCO2)c2ccccc2c1=O 8728098 VDFHJFVWHQXEBY-ZDUSSCGKSA-N 345.399 1.249 0 40 EDAB O=C(NCC[C@@H](O)C(F)(F)F)[C@H]1CSCN1C(=O)C1CCC1 72288837 IKTVRRNWWWOWPV-NXEZZACHSA-N 340.367 1.118 0 40 EDAB CN(C)c1ccc(CN2CCC[C@H]2C(=O)N2CCSCC2)cn1 95982834 KEHWQXSFNNNKMH-HNNXBMFYSA-N 334.489 1.687 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Nc1nc(C)cs1 95942229 ONSQTRPMJRDHTK-JTQLQIEISA-N 342.421 1.277 0 40 EDAB CCc1nsc(NCc2cccnc2N2CCC(C(N)=O)CC2)n1 89295696 FICXXDSIVGJPOB-UHFFFAOYSA-N 346.460 1.809 0 40 EDAB O=C(NC[C@H](O)CN1CCCCC1)N[C@H]1CCOc2ccccc21 89857796 HEPMKFPOSCGUOF-HOCLYGCPSA-N 333.432 1.656 0 40 EDAB Cc1ccc([C@H]2CN(CCC(=O)N3CCOCC3)CCO2)c(C)c1 76089529 VVBCCDNRXMQACM-GOSISDBHSA-N 332.444 1.926 0 40 EDAB Cc1cc(C(=O)COC(=O)c2ccc(CNC(N)=O)cc2)c(C)n1C 25679451 IZXBAGSGQUHDCK-UHFFFAOYSA-N 343.383 1.850 0 40 EDAB O=C(NC1CCN(Cc2ccsc2)CC1)c1cnc2[nH]nnc2c1 1003030796 LHCWHCFGNFZSBR-UHFFFAOYSA-N 342.428 1.809 0 40 EDAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cc2ccc3n[nH]cc3c2)C1 1553718984 CIKQVBPNMXFHOY-UKRRQHHQSA-N 325.372 1.817 0 40 EDAB CO[C@]1(C)CCCN(C(=O)NCCC2CCS(=O)(=O)CC2)CC1 527517252 YWGGSXOPFYZPFM-MRXNPFEDSA-N 346.493 1.802 0 40 EDAB CCn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)cn1 72241541 AESAGJQBYOHMLP-HOTGVXAUSA-N 346.362 1.579 0 40 EDAB CC1CCN(c2nc(O)c3c(n2)CN(Cc2cnn(C)c2)CC3)CC1 72335641 JMSMKWOWUNLAIG-UHFFFAOYSA-N 342.447 1.710 0 40 EDAB CCOC(=O)C1CCN(C(=O)[C@H](C)Cn2cc(Cl)cn2)CC1 32648250 REMPIQZZFPILAB-LLVKDONJSA-N 327.812 1.974 0 40 EDAB Nc1nccc([C@@H]2CCCN(C(=O)[C@H](N)Cc3ccc(F)cc3)C2)n1 72355914 IRERDQVPLDZDCY-UKRRQHHQSA-N 343.406 1.474 0 40 EDAB CC1(C)OCC2(CO1)CN(C(=O)C(=O)c1c[nH]c3ccccc13)C2 70971766 ZFSARXWHGQKDLG-UHFFFAOYSA-N 328.368 1.962 0 40 EDAB CCN(C[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[C@H](C)N 79393114 YNSQYRRHUDGHGJ-GOEBONIOSA-N 333.432 1.983 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cc(C)nc(N(CC)CC)n2)CC1 71195390 GQHFXNWRNIPFCO-UHFFFAOYSA-N 349.435 1.546 0 40 EDAB CCN(C(=O)NCc1c(C)nn(CC)c1C)[C@@H](C)CS(C)(=O)=O 79036401 VQKGZTGUALDXAX-NSHDSACASA-N 344.481 1.484 0 40 EDAB Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H](C(C)C)C1(CO)CCC1 564383725 XVVIDSOAYUDXED-CYBMUJFWSA-N 344.433 1.152 0 40 EDAB CN(Cc1ccco1)C(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 77718932 LAIGEIIGKXSHHO-UHFFFAOYSA-N 343.318 1.597 0 40 EDAB C[C@H](C(=O)NCCC(=O)NC1CC1)N1C(=O)CCCc2ccccc21 227169314 PQGMJMZDGAKESD-CYBMUJFWSA-N 343.427 1.529 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ncc(C)s2)cc1 226746451 SLXKJRLIOMLHAA-UHFFFAOYSA-N 341.414 1.377 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCC(c2cc(C(N)=O)[nH]n2)CC1 225558018 PIVDOCAVTFQWFJ-UHFFFAOYSA-N 345.403 1.452 0 40 EDAB Cc1cc(NCCNC(=O)c2cnc(C3CC3)s2)n2ncnc2n1 81459221 AHDMNBADXGBYJT-UHFFFAOYSA-N 343.416 1.609 0 40 EDAB Cc1cc(F)cc(Br)c1OC[C@H](O)CN1CCOCC1 193116134 VESBKNBRFUFFDG-GFCCVEGCSA-N 348.212 1.969 0 40 EDAB Cc1c[nH]cc(C(=O)N2CCC(O)(Cc3ccncc3)CC2)c1=O 576993589 ASMVYDATRBARNW-UHFFFAOYSA-N 327.384 1.288 0 40 EDAB O=C(NCCc1cn2c(n1)CCCC2)NCC[C@H](O)C(F)(F)F 96413277 LXIBNUBWFIXPAH-NSHDSACASA-N 334.342 1.374 0 40 EDAB CS(=O)(=O)N1CCC[C@@]12CCCN(C(=O)c1ccsc1)C2 96215174 LFZKENDNAWAXGU-CQSZACIVSA-N 328.459 1.778 0 40 EDAB O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccncc1)N1CCCC1 96041674 WKVZZPLCYNWCOI-YQVWRLOYSA-N 345.443 1.452 0 40 EDAB Cc1cnc(N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCc3ccccc3)C2)nc1 96253436 YVCIRGMZGBNGGO-IXDOHACOSA-N 338.411 1.695 0 40 EDAB CCOc1cc(N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)ncn1 583616792 DETLWWSSESTMRE-MRXNPFEDSA-N 332.408 1.536 0 40 EDAB C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O)n1cccn1 97231209 MZTUOFJIHHZOOK-BONVTDFDSA-N 344.346 1.877 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 96159121 FJGKZNQEPFHXNY-UHFFFAOYSA-N 340.427 1.818 0 40 EDAB Cn1c(NC(=O)c2cn(CCCN)nn2)nc2cccc(Cl)c21 583870614 DWPVCIIKXDJWGM-UHFFFAOYSA-N 333.783 1.419 0 40 EDAB CN(C)C(=O)[C@@H]1C[C@@H]2CCN(CCOCc3ccccc3)C[C@H]2O1 96042915 VCLUNHBAVBSTDJ-OKZBNKHCSA-N 332.444 1.771 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 96428416 MJCMGHMNELNXMX-AVGNSLFASA-N 342.509 1.780 0 40 EDAB Cc1ccc(N2CCC[C@]3(COCCN(c4ncccn4)C3)C2)nn1 96228891 WLEQLEKBFBFWNK-SFHVURJKSA-N 340.431 1.698 0 40 EDAB CN(C)S(=O)(=O)NCC1(c2ccccc2Br)CC1 96421280 JEJLNRVMHYOTSO-UHFFFAOYSA-N 333.251 1.877 0 40 EDAB O=C(NCc1ccco1)C1=NO[C@]2(CCN(Cc3ccccn3)C2)C1 96225849 IYKMTMUMSWFLKZ-GOSISDBHSA-N 340.383 1.712 0 40 EDAB CN(C)c1ncc2c(n1)[C@]1(CCN(C(=O)CC(C)(C)C)C1)COC2 96244055 RHYKMUOQBDAQQR-SFHVURJKSA-N 332.448 1.979 0 40 EDAB O=C(C[C@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]2O1)N1CCOCC1 96215392 SVGQEOKAKGDABL-IPMKNSEASA-N 344.455 1.567 0 40 EDAB CCN1CCN(C[C@@H](C)CNS(=O)(=O)C2CCCCC2)CC1 96428383 NKZJFCBDIPELFG-HNNXBMFYSA-N 331.526 1.512 0 40 EDAB O=C(c1nn(-c2ccc(F)cc2)cc1O)N1CC[C@]2(CCNC2)C1 585095629 LBJUXPQVQZYZNW-KRWDZBQOSA-N 330.363 1.543 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)cn1 248653310 OOYZEOVBZUGCBR-MRXNPFEDSA-N 347.440 1.768 0 40 EDAB COC[C@@H]1CCS(=O)(=O)C12CN(Cc1ccc3c(c1)OCO3)C2 247823567 DXTGAPNSXQDEAK-ZDUSSCGKSA-N 339.413 1.051 0 40 EDAB CN1CCN(C(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)CC1 248135059 OGUYOGIGFGLAEX-IVGZAAIESA-N 340.423 1.821 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2ccnn2C(C)C)n1 257259240 KXLTYRJHMBVSOF-AWEZNQCLSA-N 344.419 1.818 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1C1CCN(C)CC1 257260629 LDRKNYWWLFIMTB-GOSISDBHSA-N 331.460 1.995 0 40 EDAB CN(C)c1nccnc1C[C@H]1CCCN(C(=O)c2nccn2C)C1 257261735 LIPKGCXLJQADDX-CYBMUJFWSA-N 328.420 1.371 0 40 EDAB C[C@H](OC(=O)c1ccnc(Cl)c1)C(=O)Nc1ncnc2nc[nH]c12 26281076 FJZPFLGKOLGNGX-ZETCQYMHSA-N 346.734 1.585 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc3oc(C)cc3c2)C[C@H](C(N)=O)C1 257325759 WUHAXZQUNWAVRQ-OAHLLOKOSA-N 343.383 1.147 0 40 EDAB CNC(=O)c1cnc([C@H]2CCCN2C(=O)Cc2cccnc2)s1 257319510 VSWIDCLURZVAAH-GFCCVEGCSA-N 330.413 1.804 0 40 EDAB COc1ccccc1Cc1ccc(C(=O)N2CC(C(N)=O)C2)cn1 257327329 XAYMXCAODFOGFF-UHFFFAOYSA-N 325.368 1.238 0 40 EDAB Cc1ccoc1C(=O)N1CC2(C[C@@H](Oc3ncccn3)CCO2)C1 253480024 ULYOKWULLPLDIW-ZDUSSCGKSA-N 329.356 1.831 0 40 EDAB CC(C)(C)C(=O)/C=c1\nc(O)/c(=C/c2cc(C(=O)O)cs2)s1 1614997980 TYALAALQYMENSI-QKHYZZJUSA-N 337.422 1.833 0 40 EDAB N[C@@H]1C[C@@H]2C[C@@H](C(=O)N3CCn4cnc(C(F)(F)F)c4C3)C[C@H]21 1615549608 WLKMQDBDSZRQIT-LNFKQOIKSA-N 328.338 1.618 0 40 EDAB CCOC(=O)c1cnn(C[C@H](O)CN(C)[C@H](C)CCSC)c1 1615614309 DTBXXIXZVYJUMC-TZMCWYRMSA-N 329.466 1.494 0 40 EDAB CC(C)(C)c1sc(C(=O)O)cc1S(=O)(=O)N1CCC[C@@H]1CO 1616041051 LHMDRZVMNWTDRH-SECBINFHSA-N 347.458 1.889 0 40 EDAB CN(C)c1cccc(C(=O)NCc2cc(-c3cnccn3)nn2C)c1 390826701 OREPCLZLNQQQNN-UHFFFAOYSA-N 336.399 1.873 0 40 EDAB COC(=O)c1cn([C@H]2CCN(C(=O)Nc3cccc(C)c3F)C2)nn1 390834459 ZESMFZXVCSZALV-NSHDSACASA-N 347.350 1.991 0 40 EDAB Cc1cc(C)n([C@@H](CNC(=O)c2cn(C)nn2)c2cccs2)n1 575605144 NBIKAMOMXVBXPL-ZDUSSCGKSA-N 330.417 1.709 0 40 EDAB Cc1ccc(OC[C@H]2CCn3nccc3CN2CC(=O)N(C)C)cn1 585097846 RUWKLVOZGJVDGO-MRXNPFEDSA-N 343.431 1.328 0 40 EDAB CCc1ccc(S(=O)(=O)NC[C@@H](C(=O)O)C2CCOCC2)cc1 581543754 UFNBRRLTWLKDGU-OAHLLOKOSA-N 341.429 1.655 0 40 EDAB O=C(N[C@@H](c1ccc(F)cc1)c1ncc[nH]1)[C@H]1CCS(=O)(=O)C1 585124095 WYESQLKLWYJICQ-AAEUAGOBSA-N 337.376 1.189 0 40 EDAB C/C=C/C=C/C(=O)NC[C@H](Cc1ccc2c(c1)OCO2)C(=O)OC 585139790 LQFNIPRKSBHBIH-DJKJULSTSA-N 331.368 1.996 0 40 EDAB CC(C)C[C@@H](C(=O)O)N1CCN(S(=O)(=O)c2ccccc2)CC1 580839094 ZGHXUXMQDDOWTH-HNNXBMFYSA-N 340.445 1.492 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CCN(CCn2cccn2)CC1 62021957 SJXLEVQQQUFBHI-UHFFFAOYSA-N 331.420 1.265 0 40 EDAB C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)C1 58295099 IETMSMVQPCVROL-KZULUSFZSA-N 347.390 1.851 0 40 EDAB CN1CCO[C@@H]2CN(Cc3cc(O)ccc3Br)C[C@@H]21 93642212 WCXRHLUFAUZBTM-UONOGXRCSA-N 327.222 1.670 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NC3CCCC3)n2)s1 12182970 LHNDCQVSYFGQPT-UHFFFAOYSA-N 332.429 1.921 0 40 EDAB COc1ccc(-c2cc(CC(=O)NCCN3CCOCC3)no2)cc1 12866415 QSLGSQLMJFBMOW-UHFFFAOYSA-N 345.399 1.341 0 40 EDAB CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1OC 13581060 ZOQKTMQGHSDBKP-LLVKDONJSA-N 346.424 1.760 0 40 EDAB CN1C(=O)NC2(CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1=O 16915574 YHMQFKLGNHQBGF-UHFFFAOYSA-N 339.754 1.636 0 40 EDAB COc1ccccc1N1C(=O)C[C@H](N2CCC3(CC2)OCCO3)C1=O 17946088 LNGIJQBVTRHQEM-AWEZNQCLSA-N 346.383 1.166 0 40 EDAB O=C(O)[C@@H](NCc1ccccc1)[C@H](NCc1ccccc1)C(=O)O 19365587 FZEXWQSUEVTZEC-HOTGVXAUSA-N 328.368 1.472 0 40 EDAB COCc1nc2ccccc2n1CC(=O)NCCn1ccnc1C 19656430 JPEQVWQNFWPLGU-UHFFFAOYSA-N 327.388 1.504 0 40 EDAB CO[C@H]1CCN(Cc2cnn(C)c2)CC[C@@H]1CC(=O)N1CCCC1 643913286 PEZCAILLSAVHMX-SJORKVTESA-N 334.464 1.660 0 40 EDAB NC(=O)NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 5318312 HMHKREHBFRFNCY-UHFFFAOYSA-N 346.343 1.459 0 40 EDAB O=C1CCCN1c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 6786785 DLYGXEOBEOODPJ-UHFFFAOYSA-N 344.820 1.488 0 40 EDAB O=C1[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C(=O)N1c1ccccc1 1888854056 FXNUZVJQUSVWLK-GASCZTMLSA-N 334.379 1.980 0 40 EDAB Cn1c(N2C[C@H]3CN(C(=O)c4cc[nH]n4)C[C@H]3C2)nc2ccccc21 1888888308 DVTGVKVGOLRFIG-BETUJISGSA-N 336.399 1.505 0 40 EDAB CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)C(C)C)CC2)cc1 14200854 UBGHLRFUYWNJJE-KRWDZBQOSA-N 334.460 1.789 0 40 EDAB Cn1cc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cn1 25214591 PUUGKQAGHAAODQ-UHFFFAOYSA-N 330.363 1.594 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C)CC2)ccc1Br 22795370 VGZGFCUBHDSDAB-UHFFFAOYSA-N 326.238 1.943 0 40 EDAB CCCCS(=O)(=O)N1CCC(CN2CCN(C)C[C@H]2C)CC1 248048840 QJWUNYRIDXKWKB-OAHLLOKOSA-N 331.526 1.464 0 40 EDAB Cc1ncc(C(=O)N2C[C@@H]3OCCN(CC4CCCC4)[C@H]3C2)cn1 2056223615 WMFJECVTSNLTRR-IRXDYDNUSA-N 330.432 1.500 0 40 EDAB CCSCC(=O)N1C[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2C1 2056224742 STTAOVBVLQGUNE-KBPBESRZSA-N 341.502 1.616 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)CC[C@@H]2C1 1565552993 GEVYRWSMVBRPJC-IUODEOHRSA-N 348.834 1.780 0 40 EDAB O=C(c1ccsc1)N1C[C@@H]2OCCN(Cc3cccnc3)[C@@H]2C1 1565543195 QERJBCVTNFSRAS-CVEARBPZSA-N 329.425 1.869 0 40 EDAB Cc1ccc2c(c1)[C@H]1c3sc(=O)[nH]c3S[C@@H](C(=O)O)[C@@H]1C(=O)O2 4291886 UYRFTBAPGVYECQ-FXPVBKGRSA-N 349.389 1.971 0 40 EDAB CN(C)C(=O)[C@@]1(n2ccnc2)CCCN(C(=O)Cc2ccsc2)C1 2055771787 YIFIRRKZXAERPE-QGZVFWFLSA-N 346.456 1.593 0 40 EDAB CCN1CCN(C)C2(CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)C1=O 2055812509 GYQZELPVFJYIQQ-WKILWMFISA-N 335.492 1.968 0 40 EDAB CN([C@@H]1CCCN(c2nc3cccnc3n2C)C1)S(=O)(=O)C1CC1 2086889307 FSALHOPRYMWKNC-GFCCVEGCSA-N 349.460 1.361 0 40 EDAB COc1ncc(NS(=O)(=O)c2cccc(F)c2)c(N(C)C)n1 207982359 MPDLBJOCAIIHKG-UHFFFAOYSA-N 326.353 1.491 0 40 EDAB COc1cccc(C(=O)N2CCN(CC(=O)c3ccco3)CC2)c1 38488380 HHJGCSAJVFQHQP-UHFFFAOYSA-N 328.368 1.929 0 40 EDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)c2cccc(F)c2)CC1 575615261 GLLUPNSWEKCBIB-UHFFFAOYSA-N 343.424 1.074 0 40 EDAB CNS(=O)(=O)/C=C/CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 585146143 UMXFHJGGNHEFMC-KRXBUXKQSA-N 338.364 1.009 0 40 EDAB O=C(Nc1ccc(N2CCN(c3ncc(F)cn3)CC2)cn1)C1CC1 2298047608 YEFVDOVGDLTRME-UHFFFAOYSA-N 342.378 1.686 0 40 EDAB Cc1cccc(C)c1NC1=NC(N)=N[C@]2(N1)C(=O)N(C)c1ccccc12 226762040 FZDKXFKRDSTHLL-LJQANCHMSA-N 348.410 1.819 0 40 EDAB CCn1c(=O)n(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c2ccccc21 40145755 UQVJLCQVFYXXCJ-IRXDYDNUSA-N 343.427 1.993 0 40 EDAB CN1CCN(C(=O)C[C@@H](NC(=O)C(F)(F)F)c2cccs2)CC1 20366251 BHWHPXUETORIBK-SNVBAGLBSA-N 349.378 1.632 0 40 EDAB CCc1ccccc1N1C[C@@H](C(=O)N[C@H]2CCSC2=O)CC1=O 20371737 WXZLBXOZKNMLLC-STQMWFEESA-N 332.425 1.750 0 40 EDAB CCCCN1C(=O)C(=O)N(Cc2nc(-c3cccs3)no2)C1=O 40466381 CIJPWNNYYFHZBM-UHFFFAOYSA-N 334.357 1.889 0 40 EDAB CONC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 40476702 KTODMDNBXVVVQU-UHFFFAOYSA-N 327.262 1.851 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)Cn1cccc(C(F)(F)F)c1=O 31813884 DASYECOCDOIMID-UHFFFAOYSA-N 347.337 1.240 0 40 EDAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)O[C@@H]1CCCN/C1=C/[N+](=O)[O-])OC2=O 100939144 UUETUZDEZSKSSA-CHJQRCPXSA-N 338.360 1.522 0 40 EDAB O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCCCNC1=O 40521655 CIFDXQAMCNORDZ-CYBMUJFWSA-N 328.372 1.454 0 40 EDAB O[C@H](CN1CCCN(Cc2ccc(F)cc2)CC1)Cn1cccn1 51377742 KPPGBRKXUMMCAG-GOSISDBHSA-N 332.423 1.591 0 40 EDAB CN1C[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)CC1=O 32277185 ZRTJWAIRYAYCAN-IUODEOHRSA-N 346.818 1.757 0 40 EDAB O=C(NCCC(=O)N1CCc2sccc2C1)c1ccc(=O)[nH]c1 52022935 FOPQGDFNQAJCOK-UHFFFAOYSA-N 331.397 1.141 0 40 EDAB O=C(NCCn1ccnc1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 52977164 ALBAHWMEMJRNIC-NSHDSACASA-N 334.326 1.331 0 40 EDAB CN(C)C(=O)CCNC(=O)CCNC(=O)c1ccc(Cl)cc1 53838139 RGWSJUBZYPIHDG-UHFFFAOYSA-N 325.796 1.054 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)NC[C@H]1C[C@]12CCc1ccccc12 104335371 ZONDLSDOKNUGJI-RHSMWYFYSA-N 336.457 1.288 0 40 EDAB COCC(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 23043455 ICUUEOKUUQBCOI-UHFFFAOYSA-N 342.351 1.930 0 40 EDAB O=C(NCC[C@@H]1CCCO1)c1ccc(CN2C(=O)CCC2=O)cc1 23189674 UJTGINHETSZSAX-HNNXBMFYSA-N 330.384 1.635 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)NCCCN1CCOCC1 47302806 CFSJOESRJFHNKD-UHFFFAOYSA-N 347.444 1.361 0 40 EDAB CCc1nc(C)ncc1C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 78900558 BPVDOXVJRADFDC-LLVKDONJSA-N 342.403 1.189 0 40 EDAB CCN(CC)S(=O)(=O)N[C@H](c1cccc(F)c1)c1nccn1C 23404788 BDPBWAMYQCMPCR-CQSZACIVSA-N 340.424 1.825 0 40 EDAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCCC1 3269950 QTLGFAZQHKMQFP-UHFFFAOYSA-N 328.459 1.698 0 40 EDAB COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(O)nn2)CC1 24081950 JJZLVBKIJUCCAT-UHFFFAOYSA-N 342.399 1.457 0 40 EDAB Cn1cc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c2ccccc21 24679077 DFINHJFFGQJJGI-CYBMUJFWSA-N 349.456 1.722 0 40 EDAB NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)C1(c2ccccc2)CC1 7542943 AGLBVJDHILYADE-AWEZNQCLSA-N 330.384 1.128 0 40 EDAB O=C(Cn1cc(Cl)cn1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 59949960 DDTYAILQDWLYRU-CYBMUJFWSA-N 345.852 1.495 0 40 EDAB COc1ccccc1CCNC(=O)[C@H]1CCCCN1S(C)(=O)=O 25815194 NNNAPBWNNIUMGP-CQSZACIVSA-N 340.445 1.168 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccc(CN3CCOCC3)cc2)CCO1 43863866 ZLSMMSLEJQCPNN-HNNXBMFYSA-N 333.432 1.449 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccccc2O)CC1 27343319 KXRWKEJMAWPXOQ-GFCCVEGCSA-N 343.435 1.109 0 40 EDAB Cc1cc(Br)ccc1NC(=O)C(=O)NCCCCCO 170389927 JCBIQXIQKSUMQV-UHFFFAOYSA-N 343.221 1.975 0 40 EDAB COCCN1C(=O)[C@@H](N2CSCC2=O)[C@H]1c1ccc(Cl)cc1 58154873 IOHUXUPTSZQSKX-KGLIPLIRSA-N 340.832 1.771 0 40 EDAB C[C@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1cccnc1 44868948 HZOYWCOOBSHGPH-LBPRGKRZSA-N 333.413 1.539 0 40 EDAB Cc1ccccc1[C@@H](C)NC(=O)CN1CCN(c2cnccn2)CC1 27631424 GQRFBPNZMCPDJX-MRXNPFEDSA-N 339.443 1.784 0 40 EDAB CCOC(=O)CN(Cc1ccccc1)C(=O)CCNC(=O)[C@@H]1C[C@H]1C 58214356 RDECESWPDQBIEI-GDBMZVCRSA-N 346.427 1.741 0 40 EDAB O=C(CN1CCC(C(=O)NCc2ccco2)CC1)NC1CCCC1 58283389 NSMVPRPVQUMSKT-UHFFFAOYSA-N 333.432 1.667 0 40 EDAB CC(=O)N1CCC(NC(=O)c2ccc(C)c(S(C)(=O)=O)c2)CC1 44966930 HDLIEDNQRXNCLA-UHFFFAOYSA-N 338.429 1.139 0 40 EDAB O=C(c1cnccn1)N1[C@@H]2CC[C@@H]1CC(O)(c1cccnc1F)C2 100142530 KOBLMFIGAAJBKT-VXGBXAGGSA-N 328.347 1.666 0 40 EDAB Cn1c(=O)n(C[C@H](O)COc2ccc3c(c2)OCO3)c2ccccc21 58331996 BGJADLWGWSSESA-LBPRGKRZSA-N 342.351 1.509 0 40 EDAB COC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)NC(C)C)n1 36360036 GPOLPZRRHJTNNR-UHFFFAOYSA-N 346.343 1.176 0 40 EDAB Cc1ccccc1[C@H](C)NC(=O)CS(=O)(=O)C[C@H]1CCCO1 45359901 HCQWSHYBMHNVRO-UONOGXRCSA-N 325.430 1.766 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)c1cncc(Br)c1 3311362 CFQFICDLMPBCOL-UHFFFAOYSA-N 344.165 1.235 0 40 EDAB CNC(=O)C1CCN(CCC(=O)NCc2ccccc2Cl)CC1 28903423 WUOVNYGFQUHLKB-UHFFFAOYSA-N 337.851 1.804 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1coc(-c2ccc(F)cc2)n1 28962637 VWLWGKGZYYVRFK-CQSZACIVSA-N 347.346 1.344 0 40 EDAB O=C(OC[C@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 45838557 JUNBHMSVOWZMAL-DGCLKSJQSA-N 333.340 1.490 0 40 EDAB CN(Cc1cccnc1)C(=O)Cc1csc(N2CCCC2=O)n1 48303825 MWPIASWCOXKSSV-UHFFFAOYSA-N 330.413 1.866 0 40 EDAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCS(C)(=O)=O 60212143 GZAGTEHBOUMICR-UHFFFAOYSA-N 338.351 1.891 0 40 EDAB NS(=O)(=O)NC[C@@H]1CCCN(c2nc3ccccc3s2)C1 60378781 ILBIMKLHFBCLRL-JTQLQIEISA-N 326.447 1.306 0 40 EDAB CCN(CC)C(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209563 OZDPTQPKNVWPEW-AWEZNQCLSA-N 338.429 1.543 0 40 EDAB Cn1c(=O)[nH]c(=O)n2c(CC(=O)Nc3cccc4ccccc34)cnc12 28527220 IGFLWGZUYIHZAI-UHFFFAOYSA-N 349.350 1.056 0 40 EDAB Cc1ncc(CN(C)CCOc2ccc(S(N)(=O)=O)cc2)s1 47259236 LMSGSQHCUJEMBI-UHFFFAOYSA-N 341.458 1.610 0 40 EDAB COc1cc(NC(=O)C2=NN(C)C(=O)CC2)c(OC)cc1Cl 13009556 GFCCOTYAGWDIJN-UHFFFAOYSA-N 325.752 1.904 0 40 EDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NC[C@H]1CCCO1 13689382 CIKZSAWDWXEZSE-CYBMUJFWSA-N 343.383 1.017 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005046 GYTNXMJWDQTFON-CYBMUJFWSA-N 338.495 1.053 0 40 EDAB O=C(NCCCn1ccnc1)C(=O)Nc1cccc2nsnc12 13725807 VBTJQRXMNCPXLJ-UHFFFAOYSA-N 330.373 1.033 0 40 EDAB O=C(NCC[C@H]1CCCO1)[C@H]1CCCN1C(=O)OCC(F)(F)F 65494502 HTIWYAUYWDHGFR-GHMZBOCLSA-N 338.326 1.835 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 65404184 JIVHPPCSBFQHHZ-NSHDSACASA-N 325.386 1.574 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Cc2cccc3cccnc23)C1 65452968 JDJCCGRUCPKKQW-OAHLLOKOSA-N 347.440 1.318 0 40 EDAB NC(=O)CCCNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 65565195 UCRVSDZLGOPAJL-RYUDHWBXSA-N 325.206 1.934 0 40 EDAB C[C@@H]1CN(C2CCN(c3ncnc4c3cnn4C)CC2)C[C@@H](C)O1 97159025 IPKWBFMMJHGVKF-CHWSQXEVSA-N 330.436 1.441 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CCO1 66643824 ULSFIWLLPMBTGQ-LBPRGKRZSA-N 346.305 1.231 0 40 EDAB Cc1cc(N)nc(SCC(=O)NC(=O)Nc2ccccc2F)n1 7049306 MZXVVQGSAPTWAE-UHFFFAOYSA-N 335.364 1.947 0 40 EDAB Nc1nnc(SCC(=O)NC[C@@H]2COc3ccccc3O2)s1 7128765 VYARHGXGMAIOGB-MRVPVSSYSA-N 338.414 1.169 0 40 EDAB O=C(CCNC(=O)c1cnccn1)Nc1ccc2occc(=O)c2c1 72402951 NFBZUFFDMHVIAG-UHFFFAOYSA-N 338.323 1.342 0 40 EDAB C[C@@H]1OCC[C@H]1NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 95449684 RGVQJZFEVPDUFX-SMDDNHRTSA-N 333.363 1.598 0 40 EDAB CCn1c([C@H]2CCCN(Cc3cccc4nonc34)C2)n[nH]c1=O 67908532 MBEZRXRZWZECOI-LBPRGKRZSA-N 328.376 1.507 0 40 EDAB C[C@H](O)C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 96420848 UNRGZESXSGNDIZ-YJBOKZPZSA-N 332.444 1.507 0 40 EDAB O=C(NCc1cc[nH]n1)NCC1(CN2CCOCC2)CCCCC1 83711490 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342.461 1.460 0 40 EDAB Cc1ccc(CN2CCC[C@@H](S(N)(=O)=O)C2)c(-c2cnn(C)c2)c1 514801241 OORHSEADZCNBBZ-MRXNPFEDSA-N 348.472 1.648 0 40 EDAB Cc1nc([C@H]2CCN2C(=O)c2coc(C)n2)cc(N2CCOCC2)n1 72387580 RBYJJAHLZBVLNF-OAHLLOKOSA-N 343.387 1.505 0 40 EDAB Cc1cc(C)c(N(C[C@H](O)CNC(C)C)S(C)(=O)=O)c(C)c1 31903763 HITJXFSAYDVSOK-OAHLLOKOSA-N 328.478 1.737 0 40 EDAB CCOCCCNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 35315640 PPHMWLMASAXGDK-UHFFFAOYSA-N 333.363 1.592 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)N1CCN(CCn2cccn2)CC1 62153599 HJFYLLMFDLLQHT-UHFFFAOYSA-N 337.427 1.751 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2ccccc2Cn2cncn2)C[C@@H](C)O1 79404721 AULJLJSZXNBKIC-HUUCEWRRSA-N 343.431 1.165 0 40 EDAB Cc1nc(C[C@H]2CCCN(C(=O)NCCCn3ccnn3)C2)no1 182492047 LSSJMUFDVWNGEK-CYBMUJFWSA-N 333.396 1.024 0 40 EDAB O=C(NCCCN1CCCC1)c1cccc(CN2CCOCC2)c1 30754722 VFCTWNRXHKUZAZ-UHFFFAOYSA-N 331.460 1.735 0 40 EDAB C[C@H]1CN(C(=O)c2cc(NC(=O)c3ccco3)n(C)n2)C[C@@H](C)O1 40745768 OLIGYUITZHZQTN-PHIMTYICSA-N 332.360 1.515 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@H](Oc2cccnn2)C1 225410920 YYOZVWYXXUXODE-YVZNUBBCSA-N 339.351 1.898 0 40 EDAB O=C(NCCCN1CCCC1=O)c1nnn(-c2ccc(Cl)cc2)n1 75163634 AZMMNXZTIOREQO-UHFFFAOYSA-N 348.794 1.058 0 40 EDAB CC(=O)Nc1ccc(NC(=O)c2cc(NC(=O)C3CC3)n(C)n2)cc1 46089151 QEFWWAXGIGULIR-UHFFFAOYSA-N 341.371 1.979 0 40 EDAB Cc1cc(N2CCC(NC(=O)c3cnc(O)c(Cl)c3)CC2)n[nH]1 225751158 GOYNIVWKAWFMEY-UHFFFAOYSA-N 335.795 1.871 0 40 EDAB CCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 47157078 LYXSVKBDBSFMGL-UHFFFAOYSA-N 340.445 1.866 0 40 EDAB CC1CCN(C(=O)CN2CCN(C[C@@H](O)c3ccco3)CC2)CC1 85436880 HMZIVJOWNBNQIY-MRXNPFEDSA-N 335.448 1.189 0 40 EDAB CCc1nsc(N2CCCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 195531867 HHAUZYCZOCOARD-OAHLLOKOSA-N 345.472 1.839 0 40 EDAB Cc1n[nH]c(C)c1C(=O)N1CCC[C@H](Oc2nccnc2N(C)C)C1 225506413 HLOWJNDAVSYLRX-ZDUSSCGKSA-N 344.419 1.566 0 40 EDAB CO[C@](C)(C(=O)NC[C@@H](CO)Cc1cnn(C)c1)c1ccccc1F 582801298 SHYFWYNGFSPTCM-KSSFIOAISA-N 349.406 1.388 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@]2(CCN(c3ccccn3)C2)C1 96202288 VIOLYWYLKNJQGS-INIZCTEOSA-N 337.445 1.103 0 40 EDAB CO[C@@H]1CCN(C(=O)c2ccc(C)cn2)[C@@H]2CN(CC3CC3)C[C@@H]21 96108570 IOTOSQSDBUTMHJ-CGTJXYLNSA-N 329.444 1.961 0 40 EDAB O=C(N[C@@H](CO)c1ccccc1)c1ccc(F)cc1-n1cnnn1 95471347 XWDCNATYNPGUOL-AWEZNQCLSA-N 327.319 1.265 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1cccnc1 96061708 QLKPGABCDVIOPH-CVEARBPZSA-N 335.429 1.409 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2C[C@H](COc3ccccn3)C[C@@H]21 96082825 AQGZENVWZRHBLK-KBMXLJTQSA-N 340.383 1.570 0 40 EDAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)COc1ccccc1C)C2 96217074 AWLHTEPZZMSDDE-QFBILLFUSA-N 332.444 1.801 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3ccncc3)CC2)N1 96061466 OVRHWBPTKODANU-INIZCTEOSA-N 336.395 1.755 0 40 EDAB CC(C)c1noc(CCC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)n1 97198879 YFWNAYIZFGXDOK-GFCCVEGCSA-N 346.435 1.972 0 40 EDAB CC(C)NC(=O)N1CCN(Cc2ccco2)C[C@@]2(CNC(=O)C2)C1 96035982 WGABRIZJLPHLAV-QGZVFWFLSA-N 334.420 1.022 0 40 EDAB Cn1nnc2c1CCN(C(=O)Cc1ccccn1)[C@H]2COCC1CC1 96045280 ZHRSAJKRNDKCPT-INIZCTEOSA-N 341.415 1.305 0 40 EDAB CN(c1ccc2nnc(C(F)(F)F)n2n1)C1CCS(=O)CC1 95406502 KUGPXTIGHIDDMB-UHFFFAOYSA-N 333.339 1.490 0 40 EDAB CCn1cc(N2C[C@@H](C(=O)Nc3ccc(OC)cc3)CC2=O)cn1 96101470 XEGGWHZVMHZWKM-LBPRGKRZSA-N 328.372 1.903 0 40 EDAB Cn1cc(C(=O)N2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)cn1 96220073 UCAPVPMSCUBLCW-AEFFLSMTSA-N 342.399 1.515 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(Cc3ccccc3)C[C@@H]12 97953307 NNBDODQNGNAYNY-BRWVUGGUSA-N 338.411 1.810 0 40 EDAB c1cc(-c2nnn3c2CO[C@@H](CNCC2CCOCC2)C3)cs1 96061060 ZOBPKLROSQWRSX-AWEZNQCLSA-N 334.445 1.922 0 40 EDAB O=C(c1ccco1)N1CCC[C@@]2(CCN(CCN3CCCC3)C2=O)C1 96073995 MMACZZCUUJEXHJ-LJQANCHMSA-N 345.443 1.830 0 40 EDAB CC(C)CCN1C[C@@H]2[C@@H](C(=O)NCC(C)C)CCS(=O)(=O)[C@@H]2C1 96082970 GLXQPRQBKYUONX-ARFHVFGLSA-N 344.521 1.540 0 40 EDAB Cc1cccc(Cn2c3c(ccc2=O)C[C@H](NC(=O)N(C)C)CC3)n1 96196627 JJEJXBIXGKTDDP-OAHLLOKOSA-N 340.427 1.729 0 40 EDAB 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CC(C)Oc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)cc1 257236957 HEOUYDRIDULIIR-IAGOWNOFSA-N 344.415 1.172 0 40 EDAB Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN2Cc2c[nH]cn2)n1 257236325 HBPRHQSNTUOHQZ-KRWDZBQOSA-N 328.420 1.721 0 40 EDAB COc1cc(OC)nc(N2CCN(C(=O)c3ccccc3)CC2)n1 269534099 XTBUNUMBOUCZBS-UHFFFAOYSA-N 328.372 1.456 0 40 EDAB Cc1cc(C(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)no1 390829930 HOUCSHJUZJXVHX-UHFFFAOYSA-N 345.384 1.627 0 40 EDAB CN1C[C@@H](COc2cccnc2)CC12CN(C(=O)c1cccn1C)C2 585093780 FVPVSJQWYRDJFE-HNNXBMFYSA-N 340.427 1.645 0 40 EDAB O=S1(=O)CC[C@H](COc2ncccn2)C12CN(C1CCCC1)C2 585103019 KZCQETMJKSUUQV-CYBMUJFWSA-N 337.445 1.287 0 40 EDAB Cc1cc(CNC(=O)[C@@H]2CC[C@@H](N(C)Cc3ccccc3)[C@H]2O)on1 585280626 MEUIDQGWQOWZAX-KURKYZTESA-N 343.427 1.871 0 40 EDAB C[C@@]1([C@@H]2CCCN(Cc3ccc4c(c3)CCC4)C2)NC(=O)NC1=O 72300684 QYLWUIHGEVBSOO-APWZRJJASA-N 327.428 1.985 0 40 EDAB Cc1cc(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)no1 44936957 KTOFGSJLBKOKGS-GFCCVEGCSA-N 331.376 1.925 0 40 EDAB NC(=O)c1cnc(N[C@H]2CCCN(c3ncccn3)C2)c(Cl)c1 54060729 NEPULNTXKNUJCQ-NSHDSACASA-N 332.795 1.705 0 40 EDAB COCCOc1ccccc1C(=O)NCCNC(=O)OC(C)(C)C 58363621 AUBNZTROLICIAR-UHFFFAOYSA-N 338.404 1.966 0 40 EDAB O=C(CN(C1CC1)S(=O)(=O)c1cc(F)ccc1F)NC1CC1 58357083 SNHDBNBASSZQMZ-UHFFFAOYSA-N 330.356 1.397 0 40 EDAB CC(C)CCO[C@@H](C)C(=O)NCCCN(C(C)C)S(C)(=O)=O 58312580 OSCYNVARTCEPHP-AWEZNQCLSA-N 336.498 1.614 0 40 EDAB Cc1ccc(N2CCC(NC(=O)NC[C@@H](O)c3ccco3)CC2)nc1 74435598 ISXVNPCGKYVFLL-OAHLLOKOSA-N 344.415 1.985 0 40 EDAB CCOC(=O)[C@@](C)(NC(=O)CN1Cc2ccccc2C1=O)C(C)C 75142419 XKQMHAZGKLWEOJ-SFHVURJKSA-N 332.400 1.736 0 40 EDAB Cc1nc([C@@H]2CCCN2CC(=O)NCCOc2ccccc2)no1 75573064 CJUKQHQNSILOIN-HNNXBMFYSA-N 330.388 1.710 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(c2ncc(Cl)cc2F)CC1 79299009 SCIOQYGDSOEYOJ-NSHDSACASA-N 328.819 1.909 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nnc(C2CC2)s1 102296456 CCLBNQZAWDNGCS-QWRGUYRKSA-N 346.412 1.695 0 40 EDAB COc1cc(N2CCN(C(=O)c3ccccc3F)CC2)nc(C)n1 12223621 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Cc1cc(OC2CN(C(=O)c3ccc4nsnc4c3)C2)cc(=O)o1 206957831 CVXPRIFJGGCPCH-UHFFFAOYSA-N 343.364 1.856 0 40 EDAB CN(CC(=O)N1CCS[C@H](c2ccccc2)CC1)S(C)(=O)=O 206987494 HYASLNSBDJKKJG-AWEZNQCLSA-N 342.486 1.585 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)N1CC(Nc2cccnn2)C1 585148935 LUJPIPRGANZNHJ-UHFFFAOYSA-N 338.820 1.923 0 40 EDAB COCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 5007772 FOTFJNOMQFSJJI-AWEZNQCLSA-N 342.417 1.119 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)Cn3ccccc3=O)c2O1 40510277 WGHMGVPXEQUZDA-UHFFFAOYSA-N 342.395 1.757 0 40 EDAB Cc1nc(C(=O)N(C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cs1 101473884 JAICDFOGOLBOPV-CQSZACIVSA-N 343.408 1.851 0 40 EDAB CN(C)c1ncccc1CNS(=O)(=O)c1ccc(F)c(F)c1 32437901 NPOQKELAJCZZTM-UHFFFAOYSA-N 327.356 1.904 0 40 EDAB CN(C)C[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1 32781272 BQHZKWDXGKPUFY-KRWDZBQOSA-N 340.427 1.888 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NCc3nnc4n3CCC4)cc2)n1 32889091 QDEALFFENDIDFX-UHFFFAOYSA-N 336.399 1.957 0 40 EDAB CN(Cc1ccccc1N1CCCCC1)C(=O)Cn1cccnc1=O 32807090 TZQCIDNKPKWIEA-UHFFFAOYSA-N 340.427 1.892 0 40 EDAB COC(=O)c1ccc(OC[C@@H](O)Cn2nnc3ccccc32)cc1 504189 QAKDRADLKGEDJG-ZDUSSCGKSA-N 327.340 1.658 0 40 EDAB Nc1nccnc1C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 22416689 NUNSWCSRYACKNE-UHFFFAOYSA-N 326.356 1.500 0 40 EDAB Nc1nc(CC(=O)NC2(C(=O)Nc3ccccc3)CCCCC2)n[nH]1 54478 WGBQJDLTLXGDAR-UHFFFAOYSA-N 342.403 1.387 0 40 EDAB CCC(=O)Nc1ccc(C(=O)CSc2nc(N)cc(N)n2)cc1 415632 QEHUAFPOBDVXBA-UHFFFAOYSA-N 331.401 1.965 0 40 EDAB Cn1nc2c(c1NC(=O)Cn1nc3c(cc1=O)CCCC3)CSC2 61719551 SBZBNCTWBBLKRU-UHFFFAOYSA-N 345.428 1.241 0 40 EDAB COc1ccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)cc1 786690 NTYCBIBPAJEQTP-UHFFFAOYSA-N 326.418 1.474 0 40 EDAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccon1 23249120 ZKEDDEDFRBKVDV-UHFFFAOYSA-N 344.371 1.160 0 40 EDAB O=C(c1coc(Br)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78788993 XISMQKXUDHUMOW-NEPJUHHUSA-N 343.221 1.713 0 40 EDAB COC(=O)c1nc(NC(=O)CCCNc2ncccn2)sc1C 79483086 SWGZCXGFRFFQCA-UHFFFAOYSA-N 335.389 1.859 0 40 EDAB CC(C)(C)NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 4510674 FZSPVLUZXURCEK-UHFFFAOYSA-N 328.390 1.096 0 40 EDAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c1 4512392 APLBQPMJUJOVAZ-PTBVWIJOSA-N 343.379 1.983 0 40 EDAB CC(=O)Nc1ccc(SCCCc2c(N)nc(N)nc2N)cc1 4771716 VCBCDRLILGPDOU-UHFFFAOYSA-N 332.433 1.907 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1 4783671 IDFYCWGABYWEHJ-GFCCVEGCSA-N 329.443 1.573 0 40 EDAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCS(=O)(=O)N1CCSCC1 106846597 VNLUXDHJWIPZPG-IHRRRGAJSA-N 346.518 1.308 0 40 EDAB COCc1ccccc1CNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 25304500 MQVSEJKPXLBACI-HZPDHXFCSA-N 344.411 1.624 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)COCc2cccs2)CC1 25330429 COPVTILCNJFTNG-ZDUSSCGKSA-N 328.434 1.400 0 40 EDAB CCOC(=O)C(NC(=O)c1ccc(C(F)(F)F)nc1)C(=O)OCC 25992724 NXOAXIBJLFKLAC-UHFFFAOYSA-N 348.277 1.325 0 40 EDAB CN(CC(=O)N[C@H](C(N)=O)c1ccc(Cl)cc1)C(=O)c1ccco1 72294691 RNOVTCGCVZUSDB-AWEZNQCLSA-N 349.774 1.348 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cccc(C(N)=O)c3)C2)n1 72235387 WTDVFKBETHEPRH-HNNXBMFYSA-N 327.388 1.471 0 40 EDAB Cc1cccn2cc(CN3CCN([C@H](C)C(=O)NC4CC4)CC3)nc12 48230252 UIBVARYVYVUIHU-OAHLLOKOSA-N 341.459 1.427 0 40 EDAB O=C(OCCn1cccn1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 62277014 LEIBXAKJVBASHK-INIZCTEOSA-N 339.395 1.968 0 40 EDAB COc1ccc(-c2nc(NC(=O)c3ccc[nH]c3=O)n[nH]2)cc1OC 12772985 OROYWJKBHDMAQR-UHFFFAOYSA-N 341.327 1.430 0 40 EDAB COc1ccccc1S(=O)(=O)NCCC(=O)N1CCC[C@H](C)C1 58193532 STMSCYSVXDBIGW-ZDUSSCGKSA-N 340.445 1.622 0 40 EDAB Cc1n[nH]cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 58112993 YITVVORJHVXCSK-UHFFFAOYSA-N 339.355 1.606 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@H](O)C1 44896803 SZQMIDMRDAAGLN-HNNXBMFYSA-N 327.384 1.655 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)CCO1 44895844 HAFNODSVJJRPJH-VIFPVBQESA-N 325.308 1.995 0 40 EDAB C[C@H](NC(N)=O)C(=O)NCc1cccnc1Oc1cccc(F)c1 44938945 CRBPVZNHXWPEJZ-JTQLQIEISA-N 332.335 1.686 0 40 EDAB Cc1cc(NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)n(C)n1 44937043 WXZGHHDSADZVQT-ZDUSSCGKSA-N 344.419 1.670 0 40 EDAB CCCN(CC(=O)NC)C(=O)c1cc(C)nc2c1cnn2C(C)C 44979817 SMJKLLZHTFEXCC-UHFFFAOYSA-N 331.420 1.919 0 40 EDAB O=C(NCc1cc[nH]n1)N[C@H](CN1CCCC1=O)c1ccccc1 48313694 ROCWUSNOCWNEIG-OAHLLOKOSA-N 327.388 1.573 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc(CN2CCCC2)c1 58391418 KBCFGHJDFUENKT-MOPGFXCFSA-N 343.471 1.875 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)N(C)C[C@@H]1COc2ccccc2O1 27975463 WDOJQHSMGYZSMN-UONOGXRCSA-N 340.445 1.877 0 40 EDAB CC(C)[C@H](C(=O)NCc1nc2cc(F)ccc2n1C)N1CCCC1=O 95394917 OZAFYVXDEYCJDV-QGZVFWFLSA-N 346.406 1.976 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 108956030 VYAXDGKOZKVPIZ-DARAHFNDSA-N 342.505 1.989 0 40 EDAB Cc1cccc(OC[C@@H](C)NC(=O)NC[C@@H]2CN(C)CCN2C)c1 72277835 YTWDFSXCSBQREI-HZPDHXFCSA-N 334.464 1.307 0 40 EDAB Nc1nc(N)nc(COC(=O)Cc2ccc(C(F)(F)F)cc2)n1 11070054 KOJYFJMMIURWEF-UHFFFAOYSA-N 327.266 1.341 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN(CC(=O)NCc3ccccn3)C2)o1 84258730 GAADEYPNQRGKBU-INIZCTEOSA-N 343.431 1.201 0 40 EDAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc3[nH]nnc3c2)c1 11360234 CKAFZJJDCYAVAC-UHFFFAOYSA-N 345.384 1.259 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)COc2ccccc2)s1 45791203 DGDVMMKUIVUWQV-UHFFFAOYSA-N 340.426 1.133 0 40 EDAB COc1ccc([C@H](NC(=O)CN(C)S(C)(=O)=O)C2CC2)cc1 46180767 BNQZHGXYMUDHNN-OAHLLOKOSA-N 326.418 1.154 0 40 EDAB O=C1NC(=O)[C@@H](CCC(=O)OCc2csc(Br)c2)N1 46238516 KQNUJKAHFKZAHY-SSDOTTSWSA-N 347.190 1.542 0 40 EDAB NC(=O)Nc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1 2661167 JAAYSHGTJXSEFM-UHFFFAOYSA-N 339.311 1.097 0 40 EDAB Cc1nn(CCO)c(C)c1CN[C@H](C)c1ccc(-n2cncn2)cc1 97159711 QULQEIILILYJFI-CYBMUJFWSA-N 340.431 1.924 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(OC[C@@H]2CCCO2)c1 12910887 DGGANGNSBRTZNX-ZFWWWQNUSA-N 339.413 1.161 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCCCOCC(C)C)cc1 13007148 QZBGCDOIMQOOQM-UHFFFAOYSA-N 329.418 1.814 0 40 EDAB CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 25181383 ALHDIQQVXRNHAF-UHFFFAOYSA-N 348.380 1.887 0 40 EDAB CCN1CC[C@H](CNC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)C1 65423847 UGYOAOHMAQHSDH-QWHCGFSZSA-N 330.432 1.883 0 40 EDAB O=C(CCN1CCCC1=O)OC[C@H]1CN(Cc2ccccc2)CCO1 65551360 JIKYPDLRVIVBCH-QGZVFWFLSA-N 346.427 1.443 0 40 EDAB CC(C)c1noc(CCCC(=O)N[C@H](C)c2nnc3n2CCC3)n1 65553406 FEHUWKBCESIOSI-LLVKDONJSA-N 332.408 1.931 0 40 EDAB O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H]1NCCc2[nH]cnc21 72475082 WMDJQLLGDJQZRI-QGZVFWFLSA-N 336.399 1.141 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 4778272 PDZOOIAAGGKPSN-NWDGAFQWSA-N 328.434 1.585 0 40 EDAB CC(=O)c1cccc(OCC(=O)N2CSC[C@H]2C(=O)N(C)C)c1 66657850 QZNQWQZEPOJZTN-AWEZNQCLSA-N 336.413 1.258 0 40 EDAB COCCN1CNC2=NC3(CCCC3)n3c(nc4ccccc43)N2C1 20676375 MUGGCFJDLUQEDM-UHFFFAOYSA-N 340.431 1.906 0 40 EDAB Cn1cnc(-c2cccc(NC(=O)NCCCn3ccnc3)c2)n1 97373470 SGNMOYPEJARCOZ-UHFFFAOYSA-N 325.376 1.890 0 40 EDAB O=C(CCNC(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCC1 5909847 XQUOTWNZUSZHNL-UHFFFAOYSA-N 338.791 1.626 0 40 EDAB Cc1ccc(C(=O)N/C=C(\C(N)=O)S(=O)(=O)c2ccccc2)cc1 80346043 NZHPATDYNZBNTG-RVDMUPIBSA-N 344.392 1.525 0 40 EDAB CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 68104944 IIVCXUFFADNHPU-CYBMUJFWSA-N 336.263 1.241 0 40 EDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 9547816 XNNZOYJCCGBPBD-KGLIPLIRSA-N 342.461 1.959 0 40 EDAB CN(C)C(=O)CN1CCC(NC(=O)c2ccnc3ccccc23)CC1 68607151 FWGMREJKYYNCEP-UHFFFAOYSA-N 340.427 1.517 0 40 EDAB CS[C@H](C)C(=O)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 71858685 PGUCGBBTSNIQGV-CHWSQXEVSA-N 342.486 1.707 0 40 EDAB CN(C)[C@@H]1CCCN(C(=O)NC2CCN(Cc3ccccn3)CC2)C1 71857234 SPKFYRWNBJULRT-GOSISDBHSA-N 345.491 1.782 0 40 EDAB Cn1c(=O)n(C)c2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)ccc21 71846855 UGSBMOCRBIXWEA-RYUDHWBXSA-N 329.356 1.483 0 40 EDAB CCc1ccccc1O[C@H](C)C(=O)NCCCN1CCN(C)CC1 22532635 QJBNEIFFFANNQM-MRXNPFEDSA-N 333.476 1.770 0 40 EDAB COC[C@@H](C)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 71921596 OKYXLWXLSBINQT-LLVKDONJSA-N 334.388 1.306 0 40 EDAB O=C(CN1CCC[C@H]1C(=O)N1CCSCC1)N1CCCCCC1 70019030 DQQZPDFBMQHKJF-HNNXBMFYSA-N 339.505 1.429 0 40 EDAB CCOC(=O)C1(O)CCN(C(=O)c2ccc3ccccc3n2)CC1 71916625 FBYKYZVWRNMMMB-UHFFFAOYSA-N 328.368 1.765 0 40 EDAB C[C@@H]1CCCCN1c1cc(C(=O)N2CCC[C@H](C(N)=O)C2)ccn1 69379559 FCXYQLHDTVAAGD-HIFRSBDPSA-N 330.432 1.798 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N[C@@H](C)Cc1ccc2ccccc2c1 69367258 GOIBOLULFMFXFP-ZDUSSCGKSA-N 341.411 1.139 0 40 EDAB CC(=O)NCC(=O)NCC(=O)Nc1cccc(-c2ccsc2)c1 69393143 OMFSAQZSMYQDCB-UHFFFAOYSA-N 331.397 1.606 0 40 EDAB Cc1ccc(F)c(-n2nnnc2Cn2cnc3sccc3c2=O)c1 69352036 WZLCRJXVUKYUGN-UHFFFAOYSA-N 342.359 1.930 0 40 EDAB CCCN1CCC(NS(=O)(=O)c2cc(OC)ccc2OC)CC1 17071560 WWGFJPRKFIPGLK-UHFFFAOYSA-N 342.461 1.857 0 40 EDAB Cc1cc2n(n1)C[C@H](CNC1CCN(c3ccccn3)CC1)CN2 69453180 HSZOHKDANOKTQJ-OAHLLOKOSA-N 326.448 1.887 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2cc(F)ccc2F)C1 95403451 SKPAXMKQLRBOPS-LLVKDONJSA-N 346.399 1.295 0 40 EDAB CN(CCc1ccncc1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 96684298 TWLHSTYUMNDNFD-MRXNPFEDSA-N 338.411 1.526 0 40 EDAB Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c(=O)[nH]1 91764542 BFVVQQVIPFYHCE-ABAIWWIYSA-N 334.322 1.910 0 40 EDAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)N1CCCCCC1 69620205 OERPNGVFTCDSIA-UHFFFAOYSA-N 331.294 1.735 0 40 EDAB COC(=O)c1ccc(N2CCc3c(cccc3NC(C)=O)C2)nn1 69600457 RNZSDWUSDYJVTI-UHFFFAOYSA-N 326.356 1.784 0 40 EDAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 17635795 LEHGMHQLIIEEKJ-SNVBAGLBSA-N 333.841 1.418 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@H](C(=O)N(C)C)C1)C2 69700675 GCLWSGVJBLWPGX-GJZGRUSLSA-N 346.427 1.573 0 40 EDAB C[C@@H](C(=O)N[C@H](C)c1cc2ccccc2o1)N1CCN(CCO)CC1 69899476 JKENTGUPIGOPQH-CABCVRRESA-N 345.443 1.608 0 40 EDAB CSc1ccc(S(=O)(=O)NCc2c(C)c(C)n[nH]c2=O)cc1 69971129 HJWRTMQJDZIVEM-UHFFFAOYSA-N 339.442 1.587 0 40 EDAB Cc1cc(N2Cc3ccnn3C[C@H](OCC3CC3)C2)n2ncnc2n1 306137112 QLVGZQXCPAUUSI-OAHLLOKOSA-N 339.403 1.445 0 40 EDAB C[C@H](Sc1nnc(C(F)(F)F)n1C)c1nc(N)nc(N(C)C)n1 8980774 GUUREWDKVHFZBK-YFKPBYRVSA-N 348.358 1.520 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]3C[C@H]3C(=O)O)cc2)n1 97017637 MLVQUPVYSSLAON-HZPDHXFCSA-N 327.384 1.869 0 40 EDAB COc1cc(CNC(=O)c2cccn2C2CC2)ccc1OCC(N)=O 95994912 IHCDAELAWVFYDC-UHFFFAOYSA-N 343.383 1.626 0 40 EDAB C[C@H](NC(=O)CN[C@@H](C)c1ccc(F)c(Cl)c1)C(=O)N(C)C 95984569 JESDOIAXXJSPKF-UWVGGRQHSA-N 329.803 1.723 0 40 EDAB Cc1ccc(-c2noc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)cc1 95994681 VSFAQTONUSNBDM-HNNXBMFYSA-N 342.399 1.873 0 40 EDAB CCc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)Nc3cc(C)no3)CCO2)n1 89289806 VPBSLPXQIJNTRY-QWRGUYRKSA-N 334.380 1.064 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@H](O)COC[C@@H]1CCCO1 75132603 IPQSVYNGRFHSIG-ULQDDVLXSA-N 337.464 1.730 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N1CCCC[C@@H]1CN1CCOCC1 75146783 ARGAZUYUOQXDGJ-HZPDHXFCSA-N 335.452 1.168 0 40 EDAB Cc1cc(C)n(-c2ccc(NC3CCN([C@H]4CCOC4)CC3)nn2)n1 89602985 BUHRHXIHOCLWGL-INIZCTEOSA-N 342.447 1.944 0 40 EDAB O=C(NCc1ccncc1)[C@H]1COCC(=O)N1Cc1ccccc1 89834821 IOJVRGAHOXCUAK-MRXNPFEDSA-N 325.368 1.125 0 40 EDAB Cc1noc(C)c1C[C@H](C)NC(=O)NCCNC(=O)C1CCCC1 76018528 XKXMBCGIJGQIQI-NSHDSACASA-N 336.436 1.828 0 40 EDAB CCNC(=O)CNC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 76091558 FTXHXBLIEFVIFE-LBPRGKRZSA-N 338.839 1.744 0 40 EDAB CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 28209400 ZHOYIKNDGNRCJS-JSGCOSHPSA-N 338.429 1.589 0 40 EDAB Cc1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)O)c(F)cc1F 547554508 PEWLXNKPBSUKMM-CABZTGNLSA-N 349.355 1.431 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)cc1 33028697 AJOQJINLGGLKDG-OLZOCXBDSA-N 340.445 1.763 0 40 EDAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(C)[C@@H]3CO)cc2)no1 72321443 AWMZJFVNXRUPRW-GDBMZVCRSA-N 345.355 1.126 0 40 EDAB biogenic,in-vitro Cc1n[nH]c2c1[C@H](c1ccc(OCC(N)=O)cc1)SCC(=O)N2 35170853 MYVLLGXJRVJMTI-AWEZNQCLSA-N 332.385 1.357 0 40 EDAB C[C@H](N)C(=O)N1CCC(CN(C(=O)OC(C)(C)C)C2CC2)CC1 79409928 GQRDQYMAZKGJAP-LBPRGKRZSA-N 325.453 1.972 0 40 EDAB O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nnn[nH]2)cc1 78772132 YISFXHNPWRCJSD-OAHLLOKOSA-N 348.366 1.402 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc3c(c2)OCO3)s1 36182918 CHDRDPWNFUZWBV-UHFFFAOYSA-N 342.358 1.026 0 40 EDAB Cc1nc([C@@H]2CCN2C(=O)c2coc(C)n2)cc(N2CCOCC2)n1 72387579 RBYJJAHLZBVLNF-HNNXBMFYSA-N 343.387 1.505 0 40 EDAB CC(C)N(C(=O)OCc1ccccc1)C1CCN(C(=O)CN)CC1 79412494 VIDGPTPAJQLEMY-UHFFFAOYSA-N 333.432 1.983 0 40 EDAB Cc1cc(C(=O)NCCc2ccccc2)nc(N2CCOCC2)n1 71195534 GDXCOAFPMGFREA-UHFFFAOYSA-N 326.400 1.594 0 40 EDAB CN(C)C(=O)c1cn[nH]c1C1(C)CCN(Cc2nccn2C)CC1 72388881 UIASQDREINWYNP-UHFFFAOYSA-N 330.436 1.399 0 40 EDAB Cc1ccc(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)c(C)c1 32647363 LRZCZEPUJAYHFQ-UHFFFAOYSA-N 326.360 1.089 0 40 EDAB Cc1cc(NC(=O)Cn2ccn(-c3ccccc3C)c(=O)c2=O)no1 73681764 HXMMVFZNCLJQAF-UHFFFAOYSA-N 340.339 1.243 0 40 EDAB CC(C)Cc1nc(C[S@](=O)CC(=O)NCc2cccs2)no1 79324577 ZZMWBOCTZPVPST-JOCHJYFZSA-N 341.458 1.895 0 40 EDAB Cc1cccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 71768189 WVSNPNJEUJDOMV-UHFFFAOYSA-N 329.444 1.941 0 40 EDAB C[C@H]1OCC[C@H]1S(=O)(=O)N1CCN(Cc2cccs2)CC1 135499715 UBYXKJZFWLWICD-TZMCWYRMSA-N 330.475 1.373 0 40 EDAB CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(C2CC2)n(C)n1 1061291605 UCCPQHLYAJCDFJ-CQSZACIVSA-N 348.447 1.445 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 225654924 FMJDCYGHTXSOJC-QUEVPRLRSA-N 340.379 1.601 0 40 EDAB CN(C)S(=O)(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3 190410373 FIWZSZAKYIGGGL-UHFFFAOYSA-N 341.458 1.645 0 40 EDAB Cn1cccc(C(=O)NCC2(c3ccccc3)CCOCC2)c1=O 49513157 FABQQNALYLGTER-UHFFFAOYSA-N 326.396 1.864 0 40 EDAB Cn1nccc1CS(=O)(=O)Cc1nc(-c2ccccc2F)no1 194446919 IRRVXZBSIOWWEX-UHFFFAOYSA-N 336.348 1.724 0 40 EDAB CN(C)c1cc(C(=O)NC[C@H]2CCCS2(=O)=O)c2ccccc2n1 576265970 ILTHMGOFQDKODP-GFCCVEGCSA-N 347.440 1.608 0 40 EDAB O=C(Cn1c(-c2ccccc2)nc2ccccc21)N[C@H]1CCNC1=O 1587025191 OCYVZPAHCOLKQO-HNNXBMFYSA-N 334.379 1.708 0 40 EDAB COCCN1CCN(Cc2cn(-c3ccccc3)nc2C)CC1=O 97235620 LUCPRRMTGKISAF-UHFFFAOYSA-N 328.416 1.471 0 40 EDAB Cc1cnc(C(=O)N2CCc3nc(N4CCCC4)nc(C)c3C2)cn1 96253830 NZYGCQBVJAZJOK-UHFFFAOYSA-N 338.415 1.682 0 40 EDAB Cc1c(Br)cccc1S(=O)(=O)NCC[S@@](C)=O 96446626 UWTAOHJMRUDQAB-INIZCTEOSA-N 340.264 1.414 0 40 EDAB CN(C)C(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCO3)[C@@H]2CCCO[C@H]12 96185846 YYGFBFOUCLNYPU-CKEIUWERSA-N 347.415 1.418 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccsc2)Cc2ccnn2C1 96189060 KBNZPWFAIFWAEK-HNNXBMFYSA-N 348.472 1.681 0 40 EDAB CS(=O)(=O)N1CCC(NCCOCc2ccc(Cl)cc2)CC1 90806141 POCXMOOLMCRFFM-UHFFFAOYSA-N 346.880 1.870 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCc1nc(-c3ccco3)no1)C2 97198279 DWGWMCHSBDEFID-LBPRGKRZSA-N 341.371 1.898 0 40 EDAB COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2cc(C)[nH]c(=O)c21 95479699 WUBPXMSFPLFVLG-LBPRGKRZSA-N 343.335 1.676 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CN2CCS(=O)(=O)[C@H]3COCC[C@H]32)o1 579807240 UQVJTXLKLCASFT-UJDVCPFMSA-N 325.430 1.791 0 40 EDAB Cc1cccc(CN2C(=O)CO[C@@H]3CN(C(=O)NC4CC4)C[C@H]32)c1 96090738 AVTUYWXKKKVCCB-HZPDHXFCSA-N 329.400 1.279 0 40 EDAB O=C(C1CCOCC1)N1CCC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048428 YXHPJQQZXRBPTJ-QAPCUYQASA-N 346.431 1.465 0 40 EDAB CCN1C(=O)[C@H]2[C@H](c3ccccc3C)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 95252486 SEKYBLVOEUSLDW-KHSSZTOVSA-N 330.384 1.192 0 40 EDAB CCOC(=O)/C=C1/SCC(=O)N1CCOC(=O)c1ccco1 97998043 SUACXYBUEBPXCW-XYOKQWHBSA-N 325.342 1.416 0 40 EDAB O=c1cccnn1C[C@@H]1CN(Cc2ccoc2)Cc2nccn2C1 96067153 VREUNMWEVGSINI-OAHLLOKOSA-N 325.372 1.365 0 40 EDAB c1ccc(CN2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)nc1 96202310 UHTFLLQVNWPMPP-SFHVURJKSA-N 325.416 1.601 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)N(Cc1noc3c1CCCC3)CC2 96443373 WEOYZKPVJWTBRD-UHFFFAOYSA-N 333.413 1.764 0 40 EDAB CN1C(=O)C[C@@H](CNc2cnc3ccccc3n2)[C@@H]1c1nccn1C 583617733 JVUAZUPDOZOYKT-YVEFUNNKSA-N 336.399 1.995 0 40 EDAB Cc1nc(CN2CC[C@H]3[C@@H]2CCC(=O)N3c2cnn(C)c2)cs1 96186483 DCKAMZOVRAPMCF-GJZGRUSLSA-N 331.445 1.955 0 40 EDAB COC(=O)[C@@H](NC(=O)Cn1c(C)nc2ccc(F)cc2c1=O)C(C)C 95477242 JBXYNLQBPQTCGL-HNNXBMFYSA-N 349.362 1.158 0 40 EDAB COCC(=O)N1CCn2c(COCc3ccncc3)cnc2[C@H]1C 96208984 WWYQXIPELZWERI-CYBMUJFWSA-N 330.388 1.545 0 40 EDAB c1ccc(-n2ncc(CSc3nnc(Cn4cncn4)o3)n2)cc1 96455695 XHQVOCQUHLZOPT-UHFFFAOYSA-N 340.372 1.582 0 40 EDAB COc1cc(F)ccc1CC(=O)N1Cc2ccnn2[C@H](CN(C)C)C1 248146034 VWHUDDLLEPPADY-MRXNPFEDSA-N 346.406 1.718 0 40 EDAB O=C(NCC[C@H]1CN(C2CCOCC2)Cc2ccnn21)c1ccco1 247509550 SMDZTTGPAULVBS-HNNXBMFYSA-N 344.415 1.832 0 40 EDAB CC(C)C[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 585121106 GFAZMFXBLGAJSU-RISCZKNCSA-N 337.395 1.350 0 40 EDAB NC(=O)[C@H]1CCN(Cc2ccc(I)s2)C1 585117182 TWNBNQKTYHYFOW-ZETCQYMHSA-N 336.198 1.660 0 40 EDAB COc1cccc(S(=O)(=O)N2CC[C@@H](c3nccc(C)n3)C2)c1 257223700 DYOBOVWZMQMOSF-CYBMUJFWSA-N 333.413 1.972 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@H](c3ccnc(C)c3)C2)on1 257339319 ZBFXYUAMGBPZPC-HNNXBMFYSA-N 331.372 1.919 0 40 EDAB CNC(=O)c1cnn2c([C@H]3CCCN(c4ccncn4)C3)ccnc12 257210795 BWFJMFNEBLDLIZ-LBPRGKRZSA-N 337.387 1.263 0 40 EDAB Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)n2nccc2n1 257305675 SQZPYBVLCSMEKY-HNNXBMFYSA-N 331.420 1.124 0 40 EDAB CCn1nccc1-c1ccc(C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 257336755 YPXCMBYRNLELMA-AWEZNQCLSA-N 334.445 1.789 0 40 EDAB CCCn1nccc1-c1cncc(C2CCN(S(C)(=O)=O)CC2)n1 257251016 JPAQFYSGHIVTAD-UHFFFAOYSA-N 349.460 1.889 0 40 EDAB CNC(=O)c1cc(C[C@@H]2CCCN(c3ncccn3)C2)nc(C)n1 257311705 UKRNHJDRHXTFFU-ZDUSSCGKSA-N 326.404 1.394 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cc(-n3ccnc3)ccn2)C1 257245938 IRUHAZDOSOKXED-CYBMUJFWSA-N 335.433 1.253 0 40 EDAB O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc2ccccc2c1 64345381 OHWKKURLKRHPSV-IRXDYDNUSA-N 346.452 1.981 0 40 EDAB CN1Cc2c(cc3c(c2I)OCO3)[C@@H](O)C1 261829870 WFKSLQQPASXEIQ-QMMMGPOBSA-N 333.125 1.499 0 40 EDAB COc1nc(CN2CCN(C)[C@@H](c3nc(C)no3)C2)c(C)cc1C 606444880 XZJLPAOLDGMSFL-OAHLLOKOSA-N 331.420 1.887 0 40 EDAB COC(=O)CNC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 602920653 YETNRLYKEZWJNJ-PKPZWWHKSA-N 342.342 1.062 0 40 EDAB O=C([C@@H]1NCCC[C@H]1c1ccccc1)N1CCN([C@H]2CCOC2)CC1 1616030365 APQJTHFVBXVNBJ-GBESFXJTSA-N 343.471 1.455 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1 90678157 VXIYMHWEWCCAAH-UHFFFAOYSA-N 338.389 1.314 0 40 EDAB Cn1nnc2c1C[C@@H](C(=O)N[C@H]1COc3ccc(F)cc3C1)CC2 290638316 MRJQQIZSNQPXBZ-GXFFZTMASA-N 330.363 1.179 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1cc(-c2cnccn2)nn1C 390827111 UGOADAMOSVRBNO-UHFFFAOYSA-N 325.376 1.157 0 40 EDAB Cc1cnc(N)c(S(=O)(=O)N(C)c2cccc(CCC(=O)O)c2)c1 390833695 LOQPMZHQQXIRKF-UHFFFAOYSA-N 349.412 1.815 0 40 EDAB CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 575424960 WIDUOKJTFITTKL-STQMWFEESA-N 331.459 1.663 0 40 EDAB CCc1nc(S(=O)(=O)N[C@H](C)c2nccc(C)n2)cn1CC1CC1 585114195 SJGGTANFNFZKAY-GFCCVEGCSA-N 349.460 1.993 0 40 EDAB Cc1cccc(OC[C@@]2(O)COCCN(Cc3c[nH]nc3C)C2)c1 585277750 XNOVUEMDJVRWJG-SFHVURJKSA-N 331.416 1.669 0 40 EDAB CO[C@@H]1[C@H](C)[C@H](NC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)C12CCC2 685938923 HYLQRGONZXIUDO-PEBLQZBPSA-N 344.477 1.455 0 40 EDAB Cc1ccc(O)c(S(=O)(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)c1 58306813 NRACCNBQLDWKJE-ZDUSSCGKSA-N 346.408 1.554 0 40 EDAB C[C@@H]1C[C@@H](NCC2CCN(C[C@H](O)c3ccccc3)CC2)C(=O)O1 75602964 IVPREJNRFDWUHK-OLMNPRSZSA-N 332.444 1.726 0 40 EDAB Cn1c(=O)/c(=C/c2ccc3c(c2)CCO3)s/c1=C/C(=O)C(C)(C)C 96309002 LYVLAZWMTYDTDX-JBOZTJCHSA-N 343.448 1.606 0 40 EDAB O=C(NCc1ccccc1CN1CC[C@@H](O)C1)[C@H](O)c1ccccc1 97081938 VBHREDOVFKUZOK-RTBURBONSA-N 340.423 1.603 0 40 EDAB CCOc1ccc(CC(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1 585332195 LKRWDBAWXXZVKI-UHFFFAOYSA-N 345.399 1.171 0 40 EDAB O=S(=O)(N[C@@H]1CCCCC12OCCO2)c1cc(F)cc(F)c1 89764409 FZUFMJHUGDFGMO-CYBMUJFWSA-N 333.356 1.929 0 40 EDAB CNC(=O)CN(Cc1ccccc1)C(=O)c1ccc(C(=O)O)nc1 1606271553 VMGVAIYERQVBQI-UHFFFAOYSA-N 327.340 1.168 0 40 EDAB CCCN(CCC)C(=O)Cn1nc(C(=O)N2CCOCC2)cc1C 11927463 BHHNKPFUQPZRLI-UHFFFAOYSA-N 336.436 1.313 0 40 EDAB COc1cccc(CNC(=O)C[C@@H]2CSc3ncc(C)c(=O)n32)c1 12236629 VUAYMJLNRGOMAL-CYBMUJFWSA-N 345.424 1.914 0 40 EDAB CCc1ccccc1N(CC(=O)NCCCN(C)C)S(C)(=O)=O 13675350 PTGJJXKVRCDRSJ-UHFFFAOYSA-N 341.477 1.083 0 40 EDAB CC(C)OCCCNC(=O)CCCN1C(=O)c2ccccc2C1=O 13717360 ISBXLNOWPHWHLD-UHFFFAOYSA-N 332.400 1.994 0 40 EDAB O=c1[nH]c(N2CCOCC2)nc2c1CCN(Cc1ccccc1)C2 19372348 CKFQPXHAVYEVJF-UHFFFAOYSA-N 326.400 1.165 0 40 EDAB CC[C@@H](N)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)CO2 19769797 PKOFVCGRHGRTMD-CQSZACIVSA-N 331.416 1.834 0 40 EDAB COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)O 169748418 PNJFEOGCMIEFTL-CRWXNKLISA-N 333.340 1.916 0 40 EDAB O=C1CNC(=O)N1C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 253395857 CQALBMLQLNEJRH-UHFFFAOYSA-N 345.443 1.746 0 40 EDAB Cc1csc(C(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)c1 575607617 VHDQWTIRTLIZKO-UHFFFAOYSA-N 346.460 1.838 0 40 EDAB Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1cncc(C(=O)O)c1 583201181 CEFTYNIGLUMZAQ-MRVPVSSYSA-N 339.373 1.467 0 40 EDAB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1ccccc1 5754966 PXGDHSBHTQSGAY-UHFFFAOYSA-N 337.335 1.648 0 40 EDAB O=C(Nc1nn2cnnc2s1)c1cncc(Br)c1 6935090 TZWHSKXKQDBFSQ-UHFFFAOYSA-N 325.151 1.596 0 40 EDAB Cc1cc2c(N3CCN(c4nc(C)nc(C)c4F)CC3)nccn2n1 1888882105 RQVPOYWMAXRTRV-UHFFFAOYSA-N 341.394 1.910 0 40 EDAB CN(C)c1nccc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)n1 1889085896 KMVLFVXYFJQZFT-UHFFFAOYSA-N 341.463 1.957 0 40 EDAB Cn1cc(-c2ccc(CCNC(=O)c3cccn(C)c3=O)cc2)cn1 1889186373 VRAUDQKRBGAFBO-UHFFFAOYSA-N 336.395 1.758 0 40 EDAB O=C(NCCn1ccc(-c2cnccn2)n1)NCc1ccc(F)cc1 238824172 DIOIYMKKUUIRLC-UHFFFAOYSA-N 340.362 1.979 0 40 EDAB Cn1nc(N2CCN(c3nc4ccccc4s3)CC2)ccc1=O 2086988557 PCNVJYQGBCFFSX-UHFFFAOYSA-N 327.413 1.717 0 40 EDAB O=C(N1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2)C1(F)CC1 1565545785 OUUHZZLZSGCZRB-ZDUSSCGKSA-N 334.395 1.931 0 40 EDAB CCCc1nnsc1C(=O)N1CCC[C@H](Oc2ncccn2)C1 575613471 QYMRLZAOWPFEMU-NSHDSACASA-N 333.417 1.964 0 40 EDAB COCc1cn([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)nn1 575618251 KPFFAENPDOUBLV-AWEZNQCLSA-N 325.372 1.993 0 40 EDAB O=C1CCC(=O)N1CC1CN(S(=O)(=O)/C=C/c2ccccc2)C1 618256507 STOGVGNTNPFLHQ-CMDGGOBGSA-N 334.397 1.068 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)O 5461455 RKKAECASDDATIR-YRGRVCCFSA-N 336.388 1.917 0 40 EDAB CCCNC(=O)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)[C@@H](C)CC 16021679 OFWOJJAXANOARW-IAOVAPTHSA-N 331.460 1.758 0 40 EDAB O=C(NCCN1CCOCC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 40047600 DLVQNJKNYQYFIM-UHFFFAOYSA-N 334.807 1.792 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1csc(C(C)(C)C)n1 30921762 UJVGQXWZTRWTPC-LLVKDONJSA-N 325.434 1.304 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1OC[C@@H]1CCCO1 40476115 HXSCGBCZGLWTJG-STQMWFEESA-N 339.413 1.161 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(N2CCOCC2)nc1 31715278 WHCNXKGOUSXLGC-SNVBAGLBSA-N 333.310 1.824 0 40 EDAB Cc1noc(CS(=O)(=O)[C@@H](C(=O)N2CCCC2)c2ccccc2)n1 40541439 DLYJURCCAAXOQJ-OAHLLOKOSA-N 349.412 1.657 0 40 EDAB CCN1CCN(CCNC(=O)c2sccc2-n2cccc2)CC1 40522819 XMQANNUOCAGVFJ-UHFFFAOYSA-N 332.473 1.906 0 40 EDAB CC(=O)N1CCC(C(=O)NC[C@@H](C)N2CCc3sccc3C2)CC1 32428536 VASVNDHITKZYLV-CYBMUJFWSA-N 349.500 1.869 0 40 EDAB O=c1c(NC2CCCCC2)c(N2CCN(c3ccccn3)CC2)c1=O 101709968 ALDORBYDRZHFRZ-UHFFFAOYSA-N 340.427 1.749 0 40 EDAB CCCc1ccc(N2C[C@@H](C(=O)Nn3cnnc3S)CC2=O)cc1 32795822 ZEKKPLVUIAJIMR-LBPRGKRZSA-N 345.428 1.643 0 40 EDAB COC(=O)[C@H](CN1CCCCC1)[C@@](O)(c1nccn1C)C(F)(F)F 32765192 SCSDWNVBPVRPEB-SMDDNHRTSA-N 349.353 1.445 0 40 EDAB C[C@H](CNC(=O)Nc1cccc(S(C)(=O)=O)c1)Cn1cccn1 52461700 SAMBDWIIOFSMNN-GFCCVEGCSA-N 336.417 1.744 0 40 EDAB Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 32928282 RKJPDXMLEYPDCL-ZDUSSCGKSA-N 348.424 1.906 0 40 EDAB CN(CCOc1ccccc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1 53508141 LTIAAIGLNVSEIV-LLVKDONJSA-N 346.836 1.547 0 40 EDAB C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccncc1 22622141 VLRHSUWLTRLYIO-CYBMUJFWSA-N 347.440 1.664 0 40 EDAB Cc1cccc(Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)c1 41305 PTWKKRYFWZRHRZ-UHFFFAOYSA-N 349.188 1.543 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 47729975 VVBUKKGLZKGXLE-GFCCVEGCSA-N 334.420 1.719 0 40 EDAB COCC(=O)Nc1nnc(SCC(=O)N2CCCCC2)s1 1381480 IYKNOCUBRIMXQQ-UHFFFAOYSA-N 330.435 1.228 0 40 EDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COc1ccccc1 23389375 ZDGPXNWSSUQMBI-AWEZNQCLSA-N 339.395 1.795 0 40 EDAB CCCc1nc([C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)CCO2)n[nH]1 78894342 IDBSFAFRDRBXNW-GJZGRUSLSA-N 349.479 1.920 0 40 EDAB COCCc1noc(CN2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)n1 78892857 GQYAJTBBQZJZTE-LLVKDONJSA-N 336.396 1.074 0 40 EDAB C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 42868827 VLLCLOGCPHXBJI-WCQYABFASA-N 326.418 1.200 0 40 EDAB COC(=O)CNC(=O)C1(NC(=O)NCc2ccccc2)CCCC1 42860067 PNMVEUUADGEQDL-UHFFFAOYSA-N 333.388 1.088 0 40 EDAB O=C(N[C@@H](c1ccccc1)c1ccco1)N[C@@H]1CCS(=O)(=O)C1 42872415 VHHAGWFKGHZDII-HIFRSBDPSA-N 334.397 1.855 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)c1cc(Cl)ccc1OC 4580945 YXMREERVTKKIAR-UHFFFAOYSA-N 328.752 1.741 0 40 EDAB Cc1cc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)no1 7837216 UYPRVSJYIWGEBY-MRXNPFEDSA-N 329.312 1.679 0 40 EDAB Cc1nn(CC(=O)O)c(C)c1NC(=O)[C@H]1CC(=O)N(CC(C)C)C1 55568660 CQDSHKFAEZXBAE-LBPRGKRZSA-N 336.392 1.028 0 40 EDAB COC(=O)C1=CN(Cc2ccccc2)CCc2nc(C)[nH]c(=O)c2C1 25185053 SXRIUFNXDMEKIG-UHFFFAOYSA-N 339.395 1.736 0 40 EDAB CC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475838 RORAKWMYZDGRNI-LLVKDONJSA-N 328.434 1.910 0 40 EDAB CC[C@@H]1CN(Cc2nc(-c3cccnc3)no2)CCN1C[C@H](C)O 106908715 UVYPXAPKLHEBEI-DZGCQCFKSA-N 331.420 1.409 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)NCCOc1ccc2c(c1)OCO2 57842846 SIJVJTDLWZAHNG-UHFFFAOYSA-N 345.399 1.893 0 40 EDAB COCc1c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 44720943 JIYSUHYWSIKJAN-NSHDSACASA-N 337.397 1.744 0 40 EDAB CCCNC(=O)CNC(=O)c1cccn(Cc2cccc(C)c2)c1=O 58158253 FJTSLGWWOLGUQW-UHFFFAOYSA-N 341.411 1.461 0 40 EDAB COc1ccccc1[C@@H](NC(=O)NC[C@@H]1CCOC1)c1nccn1C 48284398 VVNSEXTUPDDZCP-XJKSGUPXSA-N 344.415 1.854 0 40 EDAB COCCN1CCCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 48251895 BYZQRFMKQWXTTP-UHFFFAOYSA-N 346.406 1.806 0 40 EDAB CC[C@H](CNC(=O)[C@@H](C)n1cncn1)N1CCc2ccccc2C1 44912148 PKIABLAVNFXLOJ-RHSMWYFYSA-N 327.432 1.792 0 40 EDAB COc1ccccc1[C@H](CNC(=O)[C@@H](C)n1cncn1)N1CCCC1 44910927 UEJRWYARKPALDE-ZBFHGGJFSA-N 343.431 1.801 0 40 EDAB COC(=O)c1ccccc1NC(=O)N1CCC[C@H](CNC(N)=O)C1 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0 40 EDAB COc1ncccc1CN1CC[C@@H]2[C@@H]1CC(=O)N2CCN1CCCC1 107198447 PPZXKUUSZRMAJL-SJORKVTESA-N 344.459 1.361 0 40 EDAB Cn1c(=O)c2cc(C(=O)NC3CCCCCC3)cnc2n(C)c1=O 12816511 XLSXXYCKMDHUAR-UHFFFAOYSA-N 330.388 1.085 0 40 EDAB Cc1csc(NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)n1 46016980 KSUDAZWWGNXLGK-SNVBAGLBSA-N 329.385 1.728 0 40 EDAB Cc1csc2nc(Cn3nnc4ccccc4c3=O)cc(=O)n12 29876773 UOOGRCICGWUZSA-UHFFFAOYSA-N 325.353 1.218 0 40 EDAB O=S(=O)(N1CCCCCC1)N1CCC[C@@H]1c1nnc2ccccn12 22413034 ZDAKEOBUAVKCMH-CQSZACIVSA-N 349.460 1.987 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCCc1cnn(C)c1 46988008 QBGJGZUWSVKPRL-OAHLLOKOSA-N 344.415 1.834 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2cccs2)cc1 12986048 WJIHAFBQNRFPJT-UHFFFAOYSA-N 338.454 1.694 0 40 EDAB CC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1Br 13070573 HWSQKNLUCDLWQS-UHFFFAOYSA-N 335.223 1.482 0 40 EDAB O=C(Cc1cccc(O)c1)NC[C@@H](O)CN1CCc2ccccc2C1 97236735 MMVZKGDHPJDSRY-LJQANCHMSA-N 340.423 1.470 0 40 EDAB Cn1cc(C2CCN([C@@H](C(=O)NC(N)=O)c3ccccc3)CC2)cn1 97203547 VIPFLNISSORPTL-MRXNPFEDSA-N 341.415 1.536 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCc2ccccn2)ccc1Cl 13340463 PNWNJYVBIRBNSZ-UHFFFAOYSA-N 326.761 1.912 0 40 EDAB CC1CCC(NC(=O)COC(=O)[C@@H](C)NC(=O)c2ccco2)CC1 39222849 COJAVQKXFQCJCI-OTTFEQOBSA-N 336.388 1.636 0 40 EDAB COC(=O)[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 64844379 IWXKFKIAGGSHAW-JKSUJKDBSA-N 327.336 1.857 0 40 EDAB Nn1cc(-c2ccccc2)nc1SCC(=O)NC[C@H]1CCCO1 6110621 HKWVJICTELZHHH-CYBMUJFWSA-N 332.429 1.651 0 40 EDAB CCn1cc(NC(=O)NCc2cccc(S(=O)(=O)NC)c2)cn1 65393083 MDDAQWVWPZYAKI-UHFFFAOYSA-N 337.405 1.133 0 40 EDAB CCc1ncc(C(=O)N2CCN(c3nccc(OC)n3)CC2)s1 65540913 NDNQLDNKXDCCSL-UHFFFAOYSA-N 333.417 1.467 0 40 EDAB Cn1cc(Br)c(=O)c(NC(=O)c2n[nH]c3c2CCC3)c1 97375394 OIMHIUMSBTWJBA-UHFFFAOYSA-N 337.177 1.612 0 40 EDAB O=C(CSc1nnnn1C1CCCCC1)NC[C@H]1CCCO1 14140759 ZRZLRKBEHLWFAZ-GFCCVEGCSA-N 325.438 1.566 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)CO)cc2)cc1 65626972 PCYPXFIZSSMRHG-ZDUSSCGKSA-N 348.424 1.906 0 40 EDAB Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 4505304 QQAOFWKITVYVBT-CQSZACIVSA-N 345.486 1.829 0 40 EDAB COc1cc(C(=O)NCCC(C)C)cc(Cl)c1OCC(N)=O 14215744 XSJZFXGVXYWCGH-UHFFFAOYSA-N 328.796 1.989 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCc1cccs1 14226910 QMVRUHDBVAPJJC-UHFFFAOYSA-N 343.408 1.500 0 40 EDAB CN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccccc1 4694824 MNXNJIQJDSCCAJ-UHFFFAOYSA-N 332.425 1.966 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(CCOc3cccc(F)c3)C2=O)cn1 72675588 VNBIKORGCJLJIU-ZDUSSCGKSA-N 331.347 1.556 0 40 EDAB O=C(CN1CCCc2ccccc21)N1CCN(c2ncccn2)CC1 7115091 GICSFRVLRZCOAJ-UHFFFAOYSA-N 337.427 1.578 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H](C)n2nc(C)cc2C)C[C@H]1N1CCOCC1 84735645 HLKADKIADSLXSB-BRWVUGGUSA-N 334.464 1.630 0 40 EDAB [O-][n+]1ccccc1[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 19815466 IDSQAKYZRACYGQ-QGZVFWFLSA-N 333.819 1.829 0 40 EDAB CC[C@@H](CNC(=O)NCc1ncnn1C)N1CCc2ccccc2C1 96437759 CGMDYOWLKYJYOT-INIZCTEOSA-N 342.447 1.451 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cccn1)NCCOc1cccc(F)c1 71875682 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EDAB COC(=O)Cn1ncc2c(NCCc3ccc(F)cc3F)ncnc21 71909845 CKMJOYCYJCQBRY-UHFFFAOYSA-N 347.325 1.932 0 40 EDAB CC[C@H](O)[C@@H]1CCCCN1CCNS(=O)(=O)c1ccccc1 71907367 FCCQUVUISLGJMM-HOTGVXAUSA-N 326.462 1.590 0 40 EDAB O=C(NCC(=O)N1CCC[C@H]2COCC[C@@H]21)c1cc2ccccc2[nH]1 95410784 KTMCQMRMCWKJAD-YOEHRIQHSA-N 341.411 1.925 0 40 EDAB CC(C)c1nc2n(n1)C[C@@H](NCc1ccc(S(C)(=O)=O)cc1)CC2 69897622 RMKGGZZTEJBZRP-AWEZNQCLSA-N 348.472 1.910 0 40 EDAB Cc1ccc(CC(=O)NCCS(=O)(=O)N2CCSCC2)s1 69879216 ZREFEGIOGNTRJX-UHFFFAOYSA-N 348.515 1.094 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)CCCNc2ncccn2)CC1 69929212 BKQZUJOGUJPGIW-HNNXBMFYSA-N 349.479 1.220 0 40 EDAB C[C@@H](c1ccccc1)n1cc(C(=O)NCCCN2CCOCC2)nn1 26440293 NGJGYOPKGSEBTP-HNNXBMFYSA-N 343.431 1.340 0 40 EDAB O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1ccc2c(c1)OC(F)(F)O2 70813009 PGIHMKFFKBZADZ-QMMMGPOBSA-N 331.296 1.895 0 40 EDAB C[C@H](CCc1ccco1)NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 9751963 TXJVKRZUGZUTIB-GFCCVEGCSA-N 341.367 1.420 0 40 EDAB CC1(C)Cc2cc(CNc3cnn(CC(=O)NCCO)c3)ccc2O1 95455345 CPPIRUCGSKRUCX-UHFFFAOYSA-N 344.415 1.317 0 40 EDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCCN(c2ncccn2)CC1 95431965 QULHIRZCHGBGKO-NSHDSACASA-N 331.342 1.056 0 40 EDAB COC(=O)[C@@H](NC(=O)Cc1ccn(C)n1)c1ccc(Cl)c(F)c1 97082693 PZQVVDSKCCMMSV-AWEZNQCLSA-N 339.754 1.786 0 40 EDAB C[C@H](Cc1ccsc1)N1CCN(CC(=O)N2CCOCC2)CC1 97084258 YFUXZRXQLFDRKU-OAHLLOKOSA-N 337.489 1.156 0 40 EDAB CN(CCNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)C(=O)OC(C)(C)C 72274332 CJHBFSZKLRYNSE-LSDHHAIUSA-N 349.431 1.811 0 40 EDAB CCN1C[C@@H](C(=O)Nc2ccc(C)cc2OCCN(C)C)CC1=O 72291544 ONGMCDDPLWDPPE-AWEZNQCLSA-N 333.432 1.742 0 40 EDAB CCn1ccnc1CN1CCN(CC(=O)Nc2cc(C)no2)C[C@@H]1C 72279622 NPEJNTWNBOKPQX-AWEZNQCLSA-N 346.435 1.344 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCCS(=O)(=O)N(C)C 72253641 JAIQDPXKUVNABB-LBPRGKRZSA-N 348.900 1.800 0 40 EDAB CC[C@@H]1CN(Cc2nc(C)no2)[C@H](CC)CN1Cc1nc(C)no1 72293957 RRUOBDVAHPEZIL-ZIAGYGMSSA-N 334.424 1.944 0 40 EDAB Cc1ccc(N2CCC(C(=O)N[C@@H]3CCc4nccn4C3)CC2)nc1 72278705 SYPGJJSBDYYFJH-MRXNPFEDSA-N 339.443 1.934 0 40 EDAB COCCOc1ccc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)cn1 72299571 FXBPJNHIKBCUDL-AWEZNQCLSA-N 330.388 1.850 0 40 EDAB Cc1ccc(CCNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 72286687 SSNPQLFRKGZRCX-CYBMUJFWSA-N 343.349 2.000 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCCN(c4cccnn4)CC3)c2n1 72279589 UYWLWEJJLHJKJH-UHFFFAOYSA-N 337.387 1.180 0 40 EDAB O=C(c1ccc(OCC2CC2)nc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269448 ZCYLAILSJHLAJZ-SJORKVTESA-N 345.443 1.542 0 40 EDAB Cn1c(CNC(=O)c2cnn(Cc3ccccc3)c2)n[nH]c1=S 72273396 GIXOPYYQEBOKJL-UHFFFAOYSA-N 328.401 1.652 0 40 EDAB Cc1nccn1CCCC(=O)N1CCN(C2=NCC(C)(C)S2)CC1 84290826 GMUSFMXFJOMGOL-UHFFFAOYSA-N 349.504 1.997 0 40 EDAB Cc1nc(NC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Br 74240367 VSXZFFIGXPZJFK-QMMMGPOBSA-N 333.207 1.526 0 40 EDAB CS(=O)(=O)c1ccc(CCN2C(=O)NC3(CCCC3)C2=O)cc1 95992579 FWDGFQTWDFFQCX-UHFFFAOYSA-N 336.413 1.497 0 40 EDAB COCCN1CCC(CNC(=O)c2ccn(-c3ccccc3)n2)CC1 89414467 LCNWIIVLCTYWTC-UHFFFAOYSA-N 342.443 1.961 0 40 EDAB Cc1nc(NC(=O)[C@@H]2CNC(=O)N2)sc1Cc1ccccc1F 89562599 NFTZLSYQUBZAAK-NSHDSACASA-N 334.376 1.801 0 40 EDAB Cc1noc([C@@H]2CCCN(S(=O)(=O)CC[C@@H]3CCCO3)C2)n1 75110677 BPCUXLLBGVTOJH-OLZOCXBDSA-N 329.422 1.456 0 40 EDAB COC[C@@H](NC(=O)NCc1nnc2ccccn12)c1ccc(C)o1 89652552 SDDGHNRQFMVHJS-GFCCVEGCSA-N 329.360 1.818 0 40 EDAB CC(C)c1noc([C@H](C)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)n1 89893619 QVWXPQGBDSRXSZ-KBPBESRZSA-N 336.436 1.967 0 40 EDAB c1ccc(-c2nnc3ccc(NCCc4nnc5n4CCC5)nn23)cc1 89853175 KZJACAJETWDKAR-UHFFFAOYSA-N 346.398 1.984 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(CC(=O)NCc3cccs3)C2)n[nH]1 76060241 AFAXOHIJZQWGFU-LLVKDONJSA-N 347.444 1.066 0 40 EDAB COc1ccc2c(C(=O)N3CCC[C@@H]([C@@H]4CCNC4)C3)cnn2c1 1549171616 BBIBXBCHKOJUEN-ZIAGYGMSSA-N 328.416 1.805 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1 47694183 RSDWBUUUFMCWBW-UHFFFAOYSA-N 328.376 1.048 0 40 EDAB O=C(O)[C@@H](Cc1ccccc1)n1ccc2c(cnc3ncnn32)c1=O 36358531 YBXQAUCXYLOAQF-CQSZACIVSA-N 335.323 1.308 0 40 EDAB Cc1noc([C@H]2C[C@H](O)CN2C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n1 519071715 BRLFNFMVALUQHV-ODXJTPSBSA-N 348.403 1.153 0 40 EDAB CCOC(=O)c1c(NC(=O)c2ccc(=O)n(C)n2)sc(C)c1C 20914767 FPHPGBONZCNOPK-UHFFFAOYSA-N 335.385 1.888 0 40 EDAB COc1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccccc1 408552293 LLAGYTOLKVXBIN-UHFFFAOYSA-N 327.340 1.389 0 40 EDAB O=C1CCC[C@H](C(=O)N[C@H]2CCCN(c3nc4ccccc4o3)C2)N1 1058204010 DYFAQPRPWDRSPU-GXTWGEPZSA-N 342.399 1.582 0 40 EDAB CC[C@H](CO)N(C(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 217371924 ZLIYXNTWWXQDLL-KGLIPLIRSA-N 345.848 1.740 0 40 EDAB COc1ccccc1CCNC(=O)c1ccccc1-n1nnnc1C 71285052 VQOJYFLPADCFSD-UHFFFAOYSA-N 337.383 1.952 0 40 EDAB CC(C)C[C@H]1COCCN1C(=O)N[C@H]1CCN(C(C)(C)C)C1=O 564894899 FEUVESJTXWCVHH-KBPBESRZSA-N 325.453 1.842 0 40 EDAB CCN(CC)C(=O)C[C@H](NS(C)(=O)=O)c1ccc(OC)cc1 225956629 ZFXPYAOURIRIEO-AWEZNQCLSA-N 328.434 1.544 0 40 EDAB C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 532063604 WYVVBYLNKRRRDN-OSRDXIQISA-N 343.493 1.124 0 40 EDAB Cc1nc(NS(C)(=O)=O)sc1C(=O)NCc1ccccc1 225877055 WQEIDUXHOCYOFP-UHFFFAOYSA-N 325.415 1.753 0 40 EDAB CCOC[C@H](O)Cn1cnc2c(F)cc(Br)cc2c1=O 193832101 JZAOLFIRZWZCIQ-SECBINFHSA-N 345.168 1.696 0 40 EDAB CCN(C(=O)[C@@H](C)Nc1cnn(CC(=O)NC)c1)C1CCCCC1 192504010 INBBQCKHSTYDIO-CYBMUJFWSA-N 335.452 1.611 0 40 EDAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@H]1CN1CCOCC1 333659159 WEIQZTNTHFESMJ-MWDXBVQZSA-N 337.464 1.450 0 40 EDAB COc1cc(N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)ncn1 96109074 PZMCSSIDNAJPOE-PXAZEXFGSA-N 346.362 1.551 0 40 EDAB Cc1ccccc1-c1nc(CS(=O)(=O)Cc2ccnn2C)no1 194435730 UCXLWQISMJLPEO-UHFFFAOYSA-N 332.385 1.894 0 40 EDAB CC(C)Cn1nc(CC(=O)Nc2cnn(C)c2)c2ccccc2c1=O 95474516 NDQFGGNMYUYMEM-UHFFFAOYSA-N 339.399 1.967 0 40 EDAB O=C(C1CCOCC1)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 96201837 OXYDMTQQQINANC-QFBILLFUSA-N 328.412 1.545 0 40 EDAB COC(=O)[C@H](CO)NC(=O)c1ncsc1Nc1ccc(C)cc1 585122198 QIZKBKGCUWUBQF-NSHDSACASA-N 335.385 1.459 0 40 EDAB C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)cc2Cl)C1 585121827 BGTNRIMIRSDVTA-MWLCHTKSSA-N 347.820 1.820 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(c1ncccn1)C2)c1ccsc1 96206080 FZGHUBJTRHDCRA-CJNGLKHVSA-N 330.413 1.421 0 40 EDAB CCOC[C@H](O)CN1CCN(Cc2ccc(Cl)cc2)C(=O)C1 96415742 YOVNWQOQEGBPDR-OAHLLOKOSA-N 326.824 1.382 0 40 EDAB CCN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(C)=O)CC[C@@H]12 96263638 KLGTVZXSBLEWQV-SJLPKXTDSA-N 330.432 1.743 0 40 EDAB CN(CCn1cnc2c(N)ncnc21)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585127655 GMZOXIURJZLZTN-AVGNSLFASA-N 328.420 1.693 0 40 EDAB O=C([C@H]1CCCN1C(=O)/C=C\c1cccnc1)N1CCSCC1 96405897 SMSKCIQIXVKVDF-IYKSTZQJSA-N 331.441 1.661 0 40 EDAB O=C(c1ccccn1)N1CCC[C@@]2(CCCN2S(=O)(=O)C2CC2)C1 96214512 MJSOFMRWYUYKKN-QGZVFWFLSA-N 349.456 1.644 0 40 EDAB O=C(c1ccco1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96205867 BLFGEBRDDMPTBM-CRAIPNDOSA-N 328.368 1.980 0 40 EDAB CC[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1c(C)nn(C)c1C 96439863 TVUAVICURVDLOK-OAGGEKHMSA-N 349.479 1.650 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccsc3)C2)O1 96207157 NZKBTZHJFWOUNH-LSDHHAIUSA-N 344.502 1.811 0 40 EDAB O=C(NCc1nccc(N2CCOCC2)n1)c1cccc(Cl)c1 96120868 ZRDUFJKOENJEFU-UHFFFAOYSA-N 332.791 1.897 0 40 EDAB CN1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccco3)O2)CC1 96057340 WTYIFJNDCWWSGP-ZACQAIPSSA-N 333.432 1.176 0 40 EDAB O=C(NCc1cccnc1)C1=NO[C@@]2(CCN(CC3CCC3)C2)C1 96074531 DDFZJAKPXHWVNY-SFHVURJKSA-N 328.416 1.719 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 96076473 AAJSNQSLPCCKMC-GOSISDBHSA-N 341.415 1.564 0 40 EDAB O=C(N[C@H]1CCO[C@]2(CCN(c3ncccn3)C2)C1)c1cccnc1 96208435 IGHURNYJQJYRGL-MAUKXSAKSA-N 339.399 1.430 0 40 EDAB CCOC[C@H]1CN(S(=O)(=O)CC)Cc2cnn(CC3CC3)c21 96044735 SWRLNIBOQUWJDP-CQSZACIVSA-N 327.450 1.579 0 40 EDAB Cc1cccc(N2CCc3ncnc(N4CCOCC4)c3CC2)n1 96255712 HEGABVRWFIFMIG-UHFFFAOYSA-N 325.416 1.622 0 40 EDAB O=C(NC[C@H]1Cn2nnc(-c3cccnc3)c2CO1)c1ccco1 96199233 PJXCWGMTPSCHML-LBPRGKRZSA-N 325.328 1.262 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 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COC[C@]1(CC(N)=O)CCCN1C(=O)Cc1ccc2c(c1)CCCC2 585279260 VPSVGICXYCHIKE-HXUWFJFHSA-N 344.455 1.991 0 40 EDAB COCC[C@@H]1CCOC12CCN(S(=O)(=O)c1cn(C)cn1)CC2 585104757 MARCFZUAAWFVED-CYBMUJFWSA-N 343.449 1.016 0 40 EDAB Cn1cnc(CN2CC[C@@H](Oc3cccnc3)[C@H](CC(=O)O)C2)c1 585286924 XUDBTRVKQYTSJJ-CZUORRHYSA-N 330.388 1.559 0 40 EDAB CC(C)CC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCOCC2)C1 585095390 UIWZNKSWRJTXMH-OAHLLOKOSA-N 334.420 1.061 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@]2(CCN(C(=O)c3ccnn3C)C2)C1=O 585107154 QGATXONTUKGZDP-HNAYVOBHSA-N 338.411 1.508 0 40 EDAB CC(=O)N1C[C@H](CC(=O)N2CCC(c3ccccc3)CC2)[C@@H](O)C1 585281414 XDMCTWBVXMMKLS-ROUUACIJSA-N 330.428 1.622 0 40 EDAB CNC(=O)NC(=O)CCN1CCN(Cc2ccc(Cl)s2)CC1 29963112 JKYUAZVWOPSQNB-UHFFFAOYSA-N 344.868 1.365 0 40 EDAB CC(C)c1noc(CCNC(=O)NC[C@H]2COc3ccccc3O2)n1 69028776 WQOXEUAUAXCMBI-LBPRGKRZSA-N 346.387 1.875 0 40 EDAB Cc1cnn(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)c1 69393125 MOUUYECWRPETKL-KRWDZBQOSA-N 340.427 1.588 0 40 EDAB Cc1ccc(CCC(=O)NCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1 69700740 UDGQAIOVOIYJJI-ZBFHGGJFSA-N 345.443 1.156 0 40 EDAB O=c1c2cccnc2ncn1C[C@@H](O)c1ccc2c(c1)OCCCO2 48345605 AOLVMXCIMAPPPQ-CQSZACIVSA-N 339.351 1.686 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)c1ccc(Br)s1 40218532 KTXGKQOPSNWZLA-VIFPVBQESA-N 333.251 1.961 0 40 EDAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(N2CCOCC2)nn1 75172718 ANWVUICUXZSGOH-UHFFFAOYSA-N 345.428 1.901 0 40 EDAB O=C(C1CCN(c2cnccn2)CC1)N1CC[C@](O)(C(F)(F)F)C1 78025612 LCMPGFKAAFWRSM-CQSZACIVSA-N 344.337 1.219 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCN([C@H]2CCC[C@@H]2O)CC1 78788847 URQIZTVTUCZKMQ-GJZGRUSLSA-N 332.400 1.129 0 40 EDAB O=C(NC1CC1)N1CCN(c2ncc(Br)cn2)CC1 42933099 KJUHYLVUCMAIBH-UHFFFAOYSA-N 326.198 1.233 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc(F)c2)NC(=S)N1 5864582 VBPNPIZJSAWCPQ-CQSZACIVSA-N 335.404 1.477 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2cccnc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691773 RSLVVUUOPBHYPT-PTRXPTGYSA-N 349.334 1.031 0 40 EDAB CCOc1ccccc1NC(=O)CCc1c(C)[nH]c2ncnn2c1=O 12407627 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345.443 1.500 0 40 EDAB CN1CCCC[C@]2(CN(C(=O)Cc3ccc(F)cc3)CCO2)C1=O 2037985454 KMFRUIBFTYCAFI-SFHVURJKSA-N 334.391 1.608 0 40 EDAB CC(C)N(C)CC(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 1565544961 AYJLIDRSNFMTGB-UHFFFAOYSA-N 335.492 1.968 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCOC[C@H]1c1nccc(NC2CCC2)n1 1565551038 JEKGVZDBFMTJCI-KNCOVGOOSA-N 344.415 1.233 0 40 EDAB CSc1nnc(C)c(=O)n1COC(=O)COc1ccc(F)cc1 4495818 VMIKOXGOWKNTIR-UHFFFAOYSA-N 339.348 1.387 0 40 EDAB COC(=O)CS[C@@H]1CCN(S(=O)(=O)/C=C/c2ccccc2)C1 217566607 CJENWCIVSNSVPM-QSYFUGGGSA-N 341.454 1.968 0 40 EDAB O=C1N(CN2CCOCC2)c2ccccc2[C@]12O[C@H]1CCCC[C@H]1O2 245235820 OIDQFQKNUOKTBM-DZFIZOCASA-N 344.411 1.834 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccn1 40463086 ICSQREWZDFYXRI-LLVKDONJSA-N 345.380 1.104 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2c[nH]c3ccccc3c2=O)CC1 31545309 OPYLJSFMYBWGFU-UHFFFAOYSA-N 343.383 1.879 0 40 EDAB CC(=O)N1CCN(c2c(NCCC3=CCCCC3)c(=O)c2=O)CC1 101442273 LYUGDWDSJMJYMV-UHFFFAOYSA-N 331.416 1.254 0 40 EDAB CC(C)N1C[C@H](C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)CC1=O 32315827 AXFCXRYQSPUCKS-SNVBAGLBSA-N 348.428 1.200 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCCCOCC2CC2)cc1 21700784 LHPZFSXCRQWTIW-UHFFFAOYSA-N 327.402 1.568 0 40 EDAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)N1CCSCC1 53818662 HXNJRGLCSSDDDJ-LLVKDONJSA-N 334.397 1.344 0 40 EDAB Cc1cccc(N2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)c1C 23625052 BDRIATRVMGQYCC-MOPGFXCFSA-N 348.487 1.982 0 40 EDAB CC(C)=CC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 23930808 FGWNDNGZVALRRR-UHFFFAOYSA-N 344.383 1.764 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O 24347171 UUUUODKKFLXALL-PXAZEXFGSA-N 330.340 1.487 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 4321026 WCGIFNNZZXMPOF-IJLUTSLNSA-N 327.425 1.450 0 40 EDAB CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCOCC2)s1 1269303 DZWSLKICBDWGLX-UHFFFAOYSA-N 326.422 1.314 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@@H](C)C2)c1=O 4999907 IQHQUWHPUPNNPM-CYBMUJFWSA-N 329.400 1.442 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)NCCc2ccccc2F)C1 43480704 HCWWPKCVYOFBEO-ZDUSSCGKSA-N 343.424 1.091 0 40 EDAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1n[nH]c(=O)[nH]c1=O 8578886 NCVQSAHEYFICTM-HBNTYKKESA-N 341.433 1.554 0 40 EDAB C[C@@H](CNC(=O)C1=NN(C)C(=O)CC1)N1CCc2ccccc2C1 25637862 AQGIGUXBYUWAQJ-ZDUSSCGKSA-N 328.416 1.158 0 40 EDAB CC(C)N(Cc1cc2c(s1)CCC2)C(=O)C[C@@H]1NC(=O)NC1=O 56464947 AWBOIECEKKXREE-LBPRGKRZSA-N 335.429 1.572 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H](C)OC[C@@H]2CCCO2)C[C@H]1N1CCOCC1 107354762 JDPHTFAOMVWPEU-VVLHAWIVSA-N 340.464 1.140 0 40 EDAB O=C(NCc1cccc2c1OCO2)N[C@H](CO)Cc1ccccc1 57851990 VRHOYACDODVZKK-HNNXBMFYSA-N 328.368 1.818 0 40 EDAB Cc1cc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nc(C)n1 44714564 ZIRLCRVKDQUCRV-UHFFFAOYSA-N 330.392 1.151 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCCN2CCOCC2)[C@@H]1c1ccccc1 57355471 LEAFKWCHHZLMLW-AEFFLSMTSA-N 345.443 1.045 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCCCn1ccnc1 48230365 ISSQDOPXOVIUMC-AWEZNQCLSA-N 330.388 1.755 0 40 EDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 101304771 VUXLYJSVGLYPPC-HUGQBSPZSA-N 329.352 1.999 0 40 EDAB CCC[C@H]1NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 12763108 NDAADLZVOKNOLQ-CQSZACIVSA-N 328.372 1.344 0 40 EDAB CN(C)c1cc(C(=O)NCc2ccccc2N2CCOCC2)ccn1 58278631 CKMZKBBGNCNGGC-UHFFFAOYSA-N 340.427 1.914 0 40 EDAB Cc1cc(C(=O)NCCn2nc3ccccn3c2=O)c2ccccc2n1 58298497 WWZNZCUWVINYGW-UHFFFAOYSA-N 347.378 1.783 0 40 EDAB CCN(CC)c1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cn1 58283539 JJIPHHNIZDDXQM-LBPRGKRZSA-N 325.434 1.092 0 40 EDAB Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 27766266 LJMAWSJMXOHKCX-LBPRGKRZSA-N 336.417 1.446 0 40 EDAB CC(=O)N1CCC(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 44906874 XGKJXEFEMRZUJA-UHFFFAOYSA-N 330.363 1.957 0 40 EDAB CC(C)N(CCCNC(=O)c1ccc2c(c1)CCC2)S(C)(=O)=O 44942577 MWEUVEWKPALHGJ-UHFFFAOYSA-N 338.473 1.965 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)C1(NS(C)(=O)=O)CCCCC1 95955506 ZDLQNJNHEOZJBA-UHFFFAOYSA-N 343.449 1.502 0 40 EDAB CC(C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58342745 MVTRMEVVABEEBE-QGZVFWFLSA-N 335.379 1.755 0 40 EDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCCN1CCOCC1 28227375 WURAUOKHATWNTJ-ZDUSSCGKSA-N 336.388 1.021 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@H]1c1ccc(F)cc1 2214691 KQAWGWNYKGMVSL-CYBMUJFWSA-N 344.342 1.700 0 40 EDAB O=c1c2ccccc2nc(CN2CCOCC2)n1C[C@H]1CCCCO1 48303347 SAAZOHXRDHNRLP-OAHLLOKOSA-N 343.427 1.798 0 40 EDAB Cc1cc([C@H]2CCCN2C(=O)NC[C@@H]2CCS(=O)(=O)C2)on1 45675154 GFMONWWGIRSSCJ-NWDGAFQWSA-N 327.406 1.264 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1c1nccc(C(F)(F)F)n1 45802087 QAFZXYDKTPAAEN-SECBINFHSA-N 338.355 1.404 0 40 EDAB C[C@H]1CN(Cc2cccnc2)C[C@@]12COCCN(C[C@H]1CCOC1)C2 107221034 PSKWXYMWDPHRRH-SXLOBPIMSA-N 345.487 1.888 0 40 EDAB CCOc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 104235719 UUXBXDHBFNGMLF-MWDDYTRKSA-N 340.379 1.831 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 46238106 SWVFQEUXLZXZMA-YOEHRIQHSA-N 337.379 1.382 0 40 EDAB Cc1nn(CCCNC(=O)c2cnccn2)c(C)c1Br 27928243 CQFYZHUYKPKOAV-UHFFFAOYSA-N 338.209 1.873 0 40 EDAB COc1ccccc1C(=O)NC(=O)CSc1nnc2ccccn12 2637195 IHEFCXLOZUXHQN-UHFFFAOYSA-N 342.380 1.787 0 40 EDAB C[C@H](NC(=O)NC[C@H](O)CO[C@@H](C)c1ccccc1)c1nncn1C 46871288 LZORQVMONIMTGQ-YDHLFZDLSA-N 347.419 1.314 0 40 EDAB C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 13134099 IGUUPTGILIGYPB-TXEJJXNPSA-N 344.408 1.082 0 40 EDAB CCN1CCN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 96005994 UAEDOPRRMNRBFE-GOSISDBHSA-N 346.475 1.100 0 40 EDAB COc1ccc([C@@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1F 69917636 BIDWIBVOXGPSRS-WDEREUQCSA-N 346.424 1.970 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1N1CCOCC1 84735921 YKRQWOPMEQMPLN-CRAIPNDOSA-N 342.443 1.606 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(CCCOc2ccc(F)cc2)CC1 39987545 XVSXMBPPHOOPIA-KRWDZBQOSA-N 336.407 1.918 0 40 EDAB COc1ccc([C@H]2CCCCCN2C(=O)CN2C(=O)CNC2=O)cc1 65551525 DTCSGKLDZKIOFV-OAHLLOKOSA-N 345.399 1.691 0 40 EDAB CC1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 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COc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCCCC3)N2)cc1 9484132 LBMFNEUCYOIZAU-AWEZNQCLSA-N 330.388 1.364 0 40 EDAB CC(=O)NC[C@H]1CN(C(=O)/C=C/c2cn(C)c3ccccc23)CCO1 80356619 SXBJJWAAPVRNKZ-WAVCKPEOSA-N 341.411 1.555 0 40 EDAB NC(=O)COc1cccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c1 71796512 WMWNSVOMTZJTMX-CQSZACIVSA-N 328.372 1.225 0 40 EDAB COc1cccc(CN(C)[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 71794645 GCJMZVAGOOQJPT-CYBMUJFWSA-N 333.432 1.239 0 40 EDAB Cc1nc(C2CCN(C(=O)[C@H]3CCCN3C(=O)C3CC3)CC2)no1 67877238 IXEAYKJBWNGJDT-CQSZACIVSA-N 332.404 1.485 0 40 EDAB CN(C)C(=O)Cn1cnc(NC(=O)C[C@H]2OCCc3ccsc32)n1 95401699 GOBJMUGPJINWBN-LLVKDONJSA-N 349.416 1.070 0 40 EDAB Cc1cccc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1C 80923528 GKXAPNVFPUTDNY-GOSISDBHSA-N 329.400 1.754 0 40 EDAB O=C(CN1C(=O)CCC1=O)N1CCN(c2cccc(Cl)c2)CC1 7884124 PTQDYUPCBPTCKZ-UHFFFAOYSA-N 335.791 1.138 0 40 EDAB O=C(Cc1nnc(O)c2ccccc12)NCC1CCC(C(=O)O)CC1 9546845 XEQZHLKEDGIYEG-UHFFFAOYSA-N 343.383 1.885 0 40 EDAB CC(C)N1CCC[C@@H](CNC(=O)NCC(=O)NCc2ccccc2)C1 71857286 ILRAZGWVQNULEH-KRWDZBQOSA-N 346.475 1.722 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N2CCC(C3OCCO3)CC2)cc1 69290195 CIDYSQSAMKCOKU-QPJJXVBHSA-N 344.411 1.671 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cccn2Cc2ccncc2)CC1 70037150 XQHFXMDAENIJRN-QGZVFWFLSA-N 342.443 1.460 0 40 EDAB CC(C)N1CCC(NC(=O)COC(=O)c2ccc(N(C)C)cc2)CC1 70036716 XWVLUDJVIZPGSI-UHFFFAOYSA-N 347.459 1.898 0 40 EDAB CC1CCN(CCNC(=O)c2ccccc2N2CCOCC2)CC1 69416962 JISXGPPWJSLUAR-UHFFFAOYSA-N 331.460 1.985 0 40 EDAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nnc(C(F)(F)F)[nH]1)CS2 69457561 PJAQMRMFTYQBCQ-FWOIEVBISA-N 335.311 1.216 0 40 EDAB CCNC(=O)CN(CC)C(=O)NCc1cccnc1N1CCCCC1 69587129 QDSSRPVZAKFSOA-UHFFFAOYSA-N 347.463 1.740 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CCN1C(=O)CCC1=O 69652791 BBWBNSDZKIUPGZ-GFCCVEGCSA-N 338.429 1.232 0 40 EDAB Cc1nnc2ccc(N3CCN(c4ncnc5c4CCC5)CC3)nn12 69625542 OFIVAQLGCCYVQT-UHFFFAOYSA-N 336.403 1.038 0 40 EDAB CCN1CCN(C2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1=O 69699253 PUOLPQHRKTZCCV-MRXNPFEDSA-N 330.432 1.435 0 40 EDAB CNC(=O)C1CCN(C(=O)CN2CC[C@H](c3ccccc3)C2)CC1 69653432 WHXCWEOLHNDOAE-KRWDZBQOSA-N 329.444 1.461 0 40 EDAB CC(C)[C@@H](C)NC(=O)COC(=O)[C@H](NCC(F)(F)F)C(C)C 71922228 KECZUUNGDXHLBF-ZYHUDNBSSA-N 326.359 1.867 0 40 EDAB COCCCNC(=O)[C@H](C)N1CCN(C(=O)Nc2ccccc2)CC1 69777854 CKKFHELYSZWHFH-HNNXBMFYSA-N 348.447 1.377 0 40 EDAB CC(C)(C(=O)N1CCCN(c2cccnn2)CC1)n1cc(Cl)cn1 69846128 BLCOOODAWRFEBS-UHFFFAOYSA-N 348.838 1.801 0 40 EDAB O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cccc(Cl)c1F 97013286 YZDWKWBKISXPMH-SECBINFHSA-N 330.772 1.884 0 40 EDAB CN1C(=O)C[C@@H](CNC(=O)Nc2cnn(C)c2)[C@@H]1c1ccccc1 97056366 YKUSYSNMZYWGFR-BBRMVZONSA-N 327.388 1.761 0 40 EDAB COC(=O)c1ncn(Cc2cc(=O)oc3cc4c(cc23)CCC4)n1 72280955 QEWNUFMNKLKJRM-UHFFFAOYSA-N 325.324 1.708 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 72288310 AXSPZJFSUFMYMR-LLVKDONJSA-N 326.299 1.526 0 40 EDAB NC(=O)C1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 72293061 SWFYWKIWFMCWLK-QGZVFWFLSA-N 345.443 1.001 0 40 EDAB CCOc1ncnc2c1CN(Cc1csc(NC(C)=O)n1)CC2 97202482 HXXKZEKADJQYTG-UHFFFAOYSA-N 333.417 1.849 0 40 EDAB Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3cccs3)C2)cn1 98013629 QUBFUITYAMTYQP-LLVKDONJSA-N 326.447 1.429 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(C[C@@H](O)c3ccc(F)cc3)C2=O)cn1 84318132 IMQTWEMFBJCHBC-DZGCQCFKSA-N 331.347 1.210 0 40 EDAB Cc1ccc(NC(=O)NCC(=O)NCc2ccco2)c(N(C)C)n1 89626834 XMFWEKBDIMPRRO-UHFFFAOYSA-N 331.376 1.487 0 40 EDAB CC(C)n1ncc2cc(/C=C/C(=O)Nc3ccn(C)n3)c(=O)[nH]c21 89893884 ZKEWWKDENGKKDV-SNAWJCMRSA-N 326.360 1.691 0 40 EDAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc2c([nH]c1=O)CCC2 89834894 RAWMWJBKTKMUBZ-MRXNPFEDSA-N 337.423 1.868 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C12CCC2 89985965 WIBUOEIOKCSZPD-QWHCGFSZSA-N 329.404 1.819 0 40 EDAB Cc1cnn(CCC(=O)N2CCO[C@H](c3nc(C(C)(C)C)n[nH]3)C2)c1 76046260 JOWAURYODFPKCO-ZDUSSCGKSA-N 346.435 1.597 0 40 EDAB O=C1[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 409290755 NDERKFNTXRYETM-ZOPJHEKZSA-N 347.754 1.526 0 40 EDAB Oc1nnc(-c2ccccc2)c2c1Nc1nnnn1[C@@H]2c1ccccn1 112000192 UDPNFUCXZVRLSG-OAHLLOKOSA-N 344.338 1.925 0 40 EDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cccc(Cl)c1 547559060 YRVFRLDIOWMAAT-BXKDBHETSA-N 333.793 1.498 0 40 EDAB O=S(=O)(CCCS(=O)(=O)C(F)(F)F)Oc1cccnc1 1561409795 NNVBZGUJEGRPCQ-UHFFFAOYSA-N 333.309 1.115 0 40 EDAB O=C(c1n[nH]c2c1CCC2)N1CC2(C1)OCC[C@H]2CCOCC1CC1 306123401 AMBZUSWFXJMYRS-CQSZACIVSA-N 345.443 1.946 0 40 EDAB O=C(NCCCCn1ccnc1)N1CCC[C@@H](CN2CCOCC2)C1 69931497 YVUAFMZYDPBTDH-KRWDZBQOSA-N 349.479 1.417 0 40 EDAB O=C(Nc1nc(C2CC2)ns1)N1CC[C@H](C(=O)N2CCCC2)C1 1552223575 SATMFZIFBRLYFO-NSHDSACASA-N 335.433 1.892 0 40 EDAB O=C(NC[C@H]1CCCO1)c1c(-n2cnnn2)sc2c1CCCC2 32075033 RHSUDUBPVHNKGL-SNVBAGLBSA-N 333.417 1.511 0 40 EDAB CC[C@@H](OC)C(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 520982864 LZMNAJOCHUJXGN-OAHLLOKOSA-N 344.415 1.806 0 40 EDAB CNC(=O)CN(C)C(=O)[C@H](c1cc(Br)cs1)N(C)C 521312461 MLQXFAVQEZVTHB-NSHDSACASA-N 348.266 1.318 0 40 EDAB Cn1c(N2CCC[C@@H]2c2ccccn2)nc2c1c(O)nc(=O)n2C 531385382 YUAXBMQKGMVUHM-LLVKDONJSA-N 326.360 1.109 0 40 EDAB COc1cc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)c(C(=O)O)cc1OC 71280097 TVSWPPPVFDBABX-NWDGAFQWSA-N 337.328 1.697 0 40 EDAB COc1ccc(CNC(=O)c2snc(C(=O)NC(C)C)c2N)cc1 62006816 JTZPOPOPKPACPX-UHFFFAOYSA-N 348.428 1.802 0 40 EDAB CCCNC(=O)CN1CCN(c2ccc(SC(C)C)nn2)CC1 79052326 HISWSKOPYMEOJO-UHFFFAOYSA-N 337.493 1.625 0 40 EDAB Cn1cc(CCCNC(=O)NC2CCN(C[C@H]3CCOC3)CC2)cn1 77661152 YAVUFDVUDURHRY-MRXNPFEDSA-N 349.479 1.153 0 40 EDAB CCOC(=O)C1=C(CN2C[C@@H](C)O[C@H](C)C2)NC(=O)N[C@H]1CC 34870096 LDBDWMDKBYEMAL-UTUOFQBUSA-N 325.409 1.004 0 40 EDAB CCN(CC(=O)NCC(C)C)S(=O)(=O)c1ccc(OC)cc1 39985204 AVQNXDJMVMTZDD-UHFFFAOYSA-N 328.434 1.478 0 40 EDAB COCCNC(=O)CN1C(=O)COc2ccc(-c3cscn3)cc21 31869791 YTUSEWIAFQLAID-UHFFFAOYSA-N 347.396 1.298 0 40 EDAB Cn1ccc(NC(=O)C(=O)N(c2cccc(N)c2)C2CCCC2)n1 189570655 DUUMXTRQNMNPLS-UHFFFAOYSA-N 327.388 1.917 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)N2CCC[C@](C)(c3ccccc3)C2)C1 79098671 IIWJNSCMUCUJCL-QUCCMNQESA-N 344.503 1.996 0 40 EDAB CCN1CCN(C(=O)c2cc(NC(=O)c3ccccc3)n(C)n2)CC1 40761802 AFVCKYOKXJVDMR-UHFFFAOYSA-N 341.415 1.450 0 40 EDAB O=C(CCOCC(F)F)N1CCN(c2nc3ccccc3[nH]2)CC1 225633632 RTWFZHWDAQWBRP-UHFFFAOYSA-N 338.358 1.883 0 40 EDAB O=C(NCc1ccc(F)cc1)C(=O)NCC1(O)Cc2ccccc2C1 225717184 NKFDOWWOIUEYTM-UHFFFAOYSA-N 342.370 1.088 0 40 EDAB CN1CCN(C(=O)Cc2ccc(-c3nn4cnnc4s3)cc2)CC1 41126902 YDPWGVFZRLWYIK-UHFFFAOYSA-N 342.428 1.169 0 40 EDAB CN1CCN(C[C@@H](O)CN(C)Cc2cc(F)ccc2Cl)CC1 225462631 KFRDQOSNIRNNSH-HNNXBMFYSA-N 329.847 1.519 0 40 EDAB COc1cccc(COCCNC(=O)N2CCN3CCC2CC3)c1 225460318 JHDZHPHYSPYMBH-UHFFFAOYSA-N 333.432 1.701 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)Nc1cncnc1N1CCCC1 137371676 GXFOUKKGZIJSHX-UHFFFAOYSA-N 328.420 1.998 0 40 EDAB CN(C)c1ncc(CN2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)cn1 575603885 RADWVWMRYWYVAM-OKILXGFUSA-N 348.353 1.845 0 40 EDAB COc1ccc(C2(C(=O)N3C[C@H](O)[C@@H](CO)C3)CC3(CCC3)C2)cc1 575603390 DWFNTSUSXUMATJ-PBHICJAKSA-N 345.439 1.709 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCc2c(nc(C3CC3)n2C)C1 83967352 ZAEJFPASIKXBPI-OCCSQVGLSA-N 332.448 1.339 0 40 EDAB CC(C)(C)CNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 225944280 IURCAAAPPAYKJL-ZDUSSCGKSA-N 330.425 1.968 0 40 EDAB Cc1ccc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c(C)c1 45400615 SNAAIUYZOMVUMO-UHFFFAOYSA-N 338.367 1.169 0 40 EDAB COCCNC(=O)CCNC(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 222281813 MXDTWQYAAQJODL-UHFFFAOYSA-N 347.415 1.189 0 40 EDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)NCc3cccs3)C2)nn1 225449509 IOGGLICCDOBFLN-GFCCVEGCSA-N 347.444 1.967 0 40 EDAB C[C@@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O)c1ccc2c(c1)OCO2 225791690 GYMUAMRCBNXAOE-YUNNIWFXSA-N 331.324 1.247 0 40 EDAB CO[C@@H]1CCC[C@@H](OC(=O)[C@@H](C)Sc2nnnn2C2CC2)C1 195529931 VWUROHWWXXDBFF-YUSALJHKSA-N 326.422 1.989 0 40 EDAB C[C@H]1[C@@H](C)OCCN1C(=O)NCc1ccccc1N1CCN(C)CC1 95424545 XRCODHSJXVGPNB-JKSUJKDBSA-N 346.475 1.757 0 40 EDAB COCC(=O)N1CCC2(CC1)CO[C@H](COCc1ccncc1)C2 96208764 QNMOPIRLFFNCGK-INIZCTEOSA-N 334.416 1.642 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)[C@@H]1CCCN(c3ccccn3)C1)CC2 97198942 AKHTXESBCPHTKL-CABCVRRESA-N 340.431 1.329 0 40 EDAB O=C(c1ccncn1)N1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 96042216 FWADMHRYTNKSNI-YESZJQIVSA-N 340.383 1.460 0 40 EDAB O=C(CC1CC1)NCc1cn2c(n1)CN(Cc1cccnc1)CC2 96059443 NQIZZDYTGKXEOA-UHFFFAOYSA-N 325.416 1.710 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C[C@@H]2C(=O)O)cc1F 96069008 CKRKNHIBJXMXKS-BXUZGUMPSA-N 344.408 1.302 0 40 EDAB COc1cccc(CC(=O)N2C[C@@H](OC)C[C@H]2CN2CCCC2)n1 583621199 SHVPXLXCALVMAW-HOTGVXAUSA-N 333.432 1.344 0 40 EDAB O=C1NCC[C@@]12CCCN2S(=O)(=O)c1cc(F)cc(Cl)c1 583650922 BPFRNUWMJSGDAN-ZDUSSCGKSA-N 332.784 1.522 0 40 EDAB C[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1 96405652 AOHPPCBNZDABEV-SWLSCSKDSA-N 328.416 1.735 0 40 EDAB O=S(=O)(c1ccccc1)N1CC[C@]2(C[C@H](n3ccnc3)CO2)C1 96219679 SNSLZVGOSMSTGX-HOCLYGCPSA-N 333.413 1.678 0 40 EDAB Cn1cc(CN2C[C@@H]3C[C@H](CC(=O)NCc4ccco4)O[C@@H]3C2)cn1 96206161 GIBPJAUCKYWEOA-USXIJHARSA-N 344.415 1.309 0 40 EDAB O=C(N1CCCC1)N1CCOC[C@]2(CCN(c3ncccn3)C2)C1 96202362 RFHGWMXAXCKPEE-KRWDZBQOSA-N 331.420 1.221 0 40 EDAB Cc1nc(C(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)c(C)s1 585087634 XSEIUABGIAYWLG-ZDUSSCGKSA-N 347.444 1.528 0 40 EDAB O=C(c1ccnnc1)N1CCC2(CC1)CCN(c1cccnc1)C2=O 96157904 GVBALGYEBBLEHB-UHFFFAOYSA-N 337.383 1.531 0 40 EDAB CCC(CC)NC(=O)c1ccc2nnc([C@@H]3CCN(C(C)=O)C3)n2c1 96267714 RNRRGQOCLSNTPV-CYBMUJFWSA-N 343.431 1.984 0 40 EDAB Cc1ccoc1C(=O)N1CCc2c(CNS(C)(=O)=O)cncc2C1 96189482 BGTWEBXKVJOWOD-UHFFFAOYSA-N 349.412 1.231 0 40 EDAB C[C@H](CNC(=O)c1c(O)cc(F)cc1F)CN1CCN(C)CC1 96449130 BMHQBSHVBLXUKO-LLVKDONJSA-N 327.375 1.284 0 40 EDAB O=C1CCCN1C[C@@H]1CN(C(=O)c2ccsc2)Cc2nccn2C1 96188442 QZZQXPNJEJXUND-CYBMUJFWSA-N 344.440 1.839 0 40 EDAB CN(C(=O)OC(C)(C)C)C1(C(=O)N2CC[C@@](C)(C(N)=O)C2)CCC1 585123704 XYXKBIQAOBTZRV-MRXNPFEDSA-N 339.436 1.500 0 40 EDAB O=C(NCC[C@H]1CCOC12CN(C1CCCC1)C2)c1cnccn1 247465794 COYZQFGOXVIDMQ-AWEZNQCLSA-N 330.432 1.630 0 40 EDAB Cc1cc(C)nc(C[C@H]2COCCN(C(=O)c3ccncc3)C2)n1 257298835 RNLIFRSDRZGDOO-OAHLLOKOSA-N 326.400 1.820 0 40 EDAB COC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@H]1S(C)(=O)=O 252515299 IGMUKPZMNJZQIQ-BZPMIXESSA-N 329.443 1.125 0 40 EDAB Cc1cncc([C@@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)n1 257323979 WMRAPQZOORDUMH-CQSZACIVSA-N 327.388 1.056 0 40 EDAB CNC(=O)[C@@]1(C)CN(C(=O)Cc2ccc3c(c2)CCCC3)CCO1 257299191 RPBNFKOPJOYTKQ-LJQANCHMSA-N 330.428 1.471 0 40 EDAB CCn1nccc1-c1nccnc1[C@@H]1CCCN(C(=O)COC)C1 257268175 MKNZSMITOVFHMH-CYBMUJFWSA-N 329.404 1.712 0 40 EDAB CN1C(=O)CO[C@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)C[C@@H]21 257224306 FBFRPHPJSUCFGD-IRXDYDNUSA-N 328.412 1.637 0 40 EDAB COc1ccc(F)cc1C(=O)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257218633 DDWRNQKCSOUSTL-BFYDXBDKSA-N 336.407 1.942 0 40 EDAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCN(C(=O)CO)C2)n1 257260896 LEYHHHCEAPCKSN-NSHDSACASA-N 333.417 1.602 0 40 EDAB O=C(c1ccco1)N1CCO[C@@H]2[C@H](COc3ncccn3)CC[C@@H]21 253615961 MAPATMAYTRBABP-KCQAQPDRSA-N 329.356 1.768 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)n1 257337174 YRSQDWMQHTVRLO-HNNXBMFYSA-N 328.372 1.866 0 40 EDAB Cc1cc(C)nc([C@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1 257333900 YDPHMMVRWJGGPG-ZDUSSCGKSA-N 349.394 1.960 0 40 EDAB CCOCC(=O)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 257337816 YUNJBLCEANQNCL-QGZVFWFLSA-N 333.432 1.614 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 257233853 GRACBWUCLLYSLP-HNNXBMFYSA-N 328.372 1.418 0 40 EDAB CNC(=O)[C@]1(C)CN(C(=O)Cc2ccc3c(c2)CCCC3)CCO1 257299190 RPBNFKOPJOYTKQ-IBGZPJMESA-N 330.428 1.471 0 40 EDAB NC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)NC2CCCCC2)C1 257274717 NMJBWCALYNXTND-IBGZPJMESA-N 344.459 1.349 0 40 EDAB CC(C)c1cc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)O)C2)no1 263509463 BYVVANKJYADFIO-LLVKDONJSA-N 337.376 1.193 0 40 EDAB Cc1nccn1[C@@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 1614609579 YFQLUERVRXSKPJ-CQSZACIVSA-N 340.383 1.963 0 40 EDAB Cn1nc2c(c1C(=O)NCc1noc3c1COCC3)CSCC2 1615040219 PHJZLXRNIXUKNB-UHFFFAOYSA-N 334.401 1.200 0 40 EDAB COC[C@]1(C(=O)O)CCCN(C(=O)Cc2cccc3nsnc23)C1 1615587502 FUUREXMGVNSNCS-INIZCTEOSA-N 349.412 1.574 0 40 EDAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)nn1CCO 1615615563 YTDYRFKLXPOFSB-NSHDSACASA-N 337.401 1.308 0 40 EDAB COC(=O)c1c(NC(=O)c2cc3n(n2)CCC3)c2cccnc2n1C 1616042419 YFHRQEXVJQNENV-UHFFFAOYSA-N 339.355 1.755 0 40 EDAB NC1(C(=O)N2CCC[C@@](O)(c3ccccc3)C2)Cc2ccccc2C1 1616039359 LMTVTFOAKKDBFC-NRFANRHFSA-N 336.435 1.993 0 40 EDAB Cc1nn(C)c2c1C[C@H](NC(=O)c1ccc(OC(F)F)cn1)CN2 1616032265 KHLOSILCHQSZFP-VIFPVBQESA-N 337.330 1.492 0 40 EDAB COc1ccnc(CN2CCn3c(nnc3CC(F)(F)F)C2)c1 1616022778 PHJQPCBEHYJSEW-UHFFFAOYSA-N 327.310 1.802 0 40 EDAB Cc1cc(N(C)C)nc(CNC(=O)Nc2ccc3c(c2)OCO3)n1 96120979 QLSTZOXIYMHJAG-UHFFFAOYSA-N 329.360 1.901 0 40 EDAB COc1ncccc1C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C 390826415 KPZRZXZBJQRTGL-UHFFFAOYSA-N 348.384 1.473 0 40 EDAB O=C(c1ccccn1)N1CCC(n2cnc3ncccc3c2=O)CC1 390830260 JUACVDMCVROJPL-UHFFFAOYSA-N 335.367 1.664 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCC(F)(F)CC2)C1 575403674 JBXAXQNZNVDUCH-CYBMUJFWSA-N 340.374 1.680 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]2O1)N1CCC1 585109300 HYRGUGRHSKWMFN-HEHGZKQESA-N 345.399 1.404 0 40 EDAB COc1ccc(C(=O)N2CCC3(C2)OCCO3)cc1OC(F)F 65490700 ZGUMIYNDJRAXLW-UHFFFAOYSA-N 329.299 1.886 0 40 EDAB O=C(Nc1ccc(N2CCCC2)cn1)c1ccc2c(c1)C(=O)NC2=O 65587940 VNMFKHLANCBATF-UHFFFAOYSA-N 336.351 1.818 0 40 EDAB C[C@@H]1CN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)CCS1 69455664 WKJJAOFRRORJKP-GFCCVEGCSA-N 339.461 1.595 0 40 EDAB O=C1NC(=O)[C@@]2(CCCN(c3cc(C4CC4)nc(C4CC4)n3)C2)N1 893576708 SQRNMMTWROBWSW-KRWDZBQOSA-N 327.388 1.410 0 40 EDAB CCc1nc(C(=O)NCc2nncn2C)nn1-c1ccccc1Cl 58316506 SGQMTGUZXHIRHX-UHFFFAOYSA-N 345.794 1.542 0 40 EDAB CCC(=O)N1CCCN([C@@H](C)C(=O)NCc2cccc(OC)c2)CC1 77389863 QUDQCYUVPDTDBW-HNNXBMFYSA-N 347.459 1.644 0 40 EDAB CCC(CC)C(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 96121331 GJNFTWZJBNZJFY-UHFFFAOYSA-N 347.463 1.398 0 40 EDAB COc1ccc(C)cc1/C=c1\s/c(=C/C(=O)C(C)(C)C)n(C)c1=O 103316131 BXMBXGUHAGPICI-JBOZTJCHSA-N 345.464 1.988 0 40 EDAB Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H]1CCc2cncn2C1 553531952 GVPOXTIIAUYBRT-AWEZNQCLSA-N 341.415 1.624 0 40 EDAB CCn1nc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1C 12117089 FENTYWBKDYZZCA-UHFFFAOYSA-N 336.373 1.343 0 40 EDAB Nc1cc(-c2cccs2)nn(CC(=O)NCc2ccccc2)c1=O 12146595 ATCWBTIWVYWRLE-UHFFFAOYSA-N 340.408 1.870 0 40 EDAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 15335156 OVZSFTONBWQGCO-IUODEOHRSA-N 333.409 1.910 0 40 EDAB Cc1nc2sccn2c(=O)c1S(=O)(=O)NC1CCCCC1 16249201 VZDQFTLRSBRDFG-UHFFFAOYSA-N 327.431 1.675 0 40 EDAB CCOC(=O)c1nnc2c(-c3ccccc3OC)c(C)nn2c1N 17066968 DWPGOCYRJGENIN-UHFFFAOYSA-N 327.344 1.867 0 40 EDAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3C)C2=O)C1 17071840 ZSBQCLDGBGNXFW-GDBMZVCRSA-N 344.411 1.902 0 40 EDAB CCOCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 17401921 GOKKOBXMNYHBEF-NSHDSACASA-N 332.397 1.035 0 40 EDAB CC(C)(C)c1nsc(N2CCC(C(=O)N3CCOCC3)CC2)n1 157747698 ZNTGZLXZIHMAOR-UHFFFAOYSA-N 338.477 1.911 0 40 EDAB COc1ccc(C(=O)N2CCC(c3nc(O)n[nH]3)CC2)c(OC)c1 584460884 QJDWDWWBIGOUKM-UHFFFAOYSA-N 332.360 1.547 0 40 EDAB Cc1nc(N2C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)nc(O)c1F 1888867013 ZDKVGAMILCYQDS-KBPBESRZSA-N 342.374 1.838 0 40 EDAB Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ncc1F 1888879304 IWKRQJBPFPFFIT-UHFFFAOYSA-N 337.376 1.149 0 40 EDAB c1cnc(N2CC[C@@H](COc3ccc4nnc(C5CC5)n4n3)C2)nc1 1888882098 MFLCUNKBRIGQBI-GFCCVEGCSA-N 337.387 1.697 0 40 EDAB Cc1nc(N2CCCC2)cc(N2CCN(c3nc(C)ns3)CC2)n1 1889077978 MRUIBSPUWGLAMO-UHFFFAOYSA-N 345.476 1.872 0 40 EDAB Cn1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n1 24478320 ZCUMQLYVHDCBEQ-UHFFFAOYSA-N 342.808 1.381 0 40 EDAB CCn1cc(Br)cc1C(=O)N1CCO[C@H]2CNC[C@H]21 585655440 UILSFUMWBSLIGW-NEPJUHHUSA-N 328.210 1.083 0 40 EDAB CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)c3ccnc(F)c3)C[C@@H]2CC1 2056223342 GTUYNFMMMJKRAM-GASCZTMLSA-N 348.422 1.093 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@@](O)(c1ccsc1)c1ccco1 253472806 PLCDMKHBAUNDHB-MRXNPFEDSA-N 347.396 1.749 0 40 EDAB CCN1CCN([C@H](c2ccco2)c2sc3ncnn3c2O)CC1 22027266 ODUDLEXHHRGCEH-GFCCVEGCSA-N 333.417 1.816 0 40 EDAB CN(C)[C@H](CNC(=O)C(=O)NCc1cccs1)c1cccs1 23106604 ZEZRQIHCQHSJSX-GFCCVEGCSA-N 337.470 1.845 0 40 EDAB COc1nc(CNC(=O)c2ccc(F)c(F)c2)nc(N2CCCC2)n1 575605473 BAMACQRQIZHNNM-UHFFFAOYSA-N 349.341 1.689 0 40 EDAB O=c1ccc(-c2cccnc2)nn1CC1CN([C@@H]2CCC[C@H]2O)C1 585606371 WPIPXVDMCIVMSV-IAGOWNOFSA-N 326.400 1.151 0 40 EDAB Fc1cnc(N2CCN(c3cccc(-n4cccn4)n3)CC2)nc1 2298051621 QODBZORSBJGMDU-UHFFFAOYSA-N 325.351 1.523 0 40 EDAB CC(C)(C)CC(=O)N1CC[C@H](c2nn(CCN)c3nccnc23)C1 19082560 HUTBXJFWJFUJDX-LBPRGKRZSA-N 330.436 1.537 0 40 EDAB COc1ccccc1S(=O)(=O)NC[C@]1(O)CCOc2ccccc21 75158171 ASJLIICCGTWJFI-QGZVFWFLSA-N 349.408 1.644 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 50031870 DZJJQQQPGXVNLB-IBGZPJMESA-N 345.443 1.677 0 40 EDAB COc1ccccc1OC[C@@H](O)Cn1c(=N)n(C)c2ccccc21 20026785 PMVBPGLOVLIBPE-ZDUSSCGKSA-N 327.384 1.908 0 40 EDAB Cc1nn(C)c(Cl)c1CNCc1ccc(N2CCOCC2)nc1 30636551 GRLNRDZNRLAWLF-UHFFFAOYSA-N 335.839 1.903 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)CCN1C(=O)CSc2ccccc21 31395230 OXIWCASEIYPKMP-CYBMUJFWSA-N 344.440 1.917 0 40 EDAB CCCn1nnnc1CN1CCC(C(=O)N2CCCCCC2)CC1 40474020 KTDRGDXSFJHSLE-UHFFFAOYSA-N 334.468 1.698 0 40 EDAB O=C(NCCCN1CCOCC1)c1cncn1-c1ccc(F)cc1 40474290 DZPMYQLGURZDQH-UHFFFAOYSA-N 332.379 1.464 0 40 EDAB O=c1n(Cc2noc(-c3ccco3)n2)nnn1-c1ccccc1Cl 31791516 JNLYUVPOKZEVCV-UHFFFAOYSA-N 344.718 1.774 0 40 EDAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccn2)Oc2ccccc21 40553337 ZJHUQVQKXIUHSF-CYBMUJFWSA-N 333.369 1.247 0 40 EDAB O=C(Cn1nnc2ccccc21)N1CCCN(C[C@H]2CCCO2)CC1 40512853 KIYYGXYWDCXGOJ-OAHLLOKOSA-N 343.431 1.145 0 40 EDAB C[C@@H]1NC(C(=O)NCc2cccs2)=NN(c2ccccc2)C1=O 32671951 VZCNTDGKCIAPLM-NSHDSACASA-N 328.397 1.703 0 40 EDAB CNC(=O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 21358166 HBXGGAVQLABMEK-UHFFFAOYSA-N 332.381 1.702 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)CCn2cncn2)C1 102387085 CGZBFFMLHKAYBI-ZDUSSCGKSA-N 349.822 1.725 0 40 EDAB Nc1nccnc1C(=O)Nc1cccc(NC(=O)c2cccnc2)c1 32828581 FVMNXLLYJHWSSD-UHFFFAOYSA-N 334.339 1.958 0 40 EDAB CCCN(CC(=O)OC)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 32927535 IISRKZWEYOBOCF-UHFFFAOYSA-N 340.401 1.145 0 40 EDAB CC(=O)Nc1nc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cs1 32976300 AXEFQCUMMOEPME-SECBINFHSA-N 348.432 1.910 0 40 EDAB CC(C)[C@@H](CNC(=O)[C@H]1CC(=O)Nc2ccccc21)N1CCOCC1 41934531 QHEVHWTUGONELY-DOTOQJQBSA-N 345.443 1.585 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)Nc1cccnc1OC 47553861 TXHADVFUNZHLKF-UHFFFAOYSA-N 329.356 1.857 0 40 EDAB COc1cc(OC)cc(-n2nnnc2SCC(=O)N2CCCC2)c1 415261 GBPYLLWVPSEBHQ-UHFFFAOYSA-N 349.416 1.394 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CCCc2c1cnn2C 78985103 HGYBKEHIHJRTMI-GFCCVEGCSA-N 343.431 1.917 0 40 EDAB Cn1cccc1[C@H](O)CNC(=O)NCc1ccnc(-n2ccnc2)c1 78952248 PGALVAMWFVEXLM-OAHLLOKOSA-N 340.387 1.139 0 40 EDAB O=C(Cn1ccc2c(nnc3ccnn32)c1=O)NC1CCCCCC1 79478459 XALYCCJLQHVGPL-UHFFFAOYSA-N 340.387 1.278 0 40 EDAB O=C(O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)O)ccc1Cl 3206242 XZKDRABZXZQZJY-JTQLQIEISA-N 333.749 1.276 0 40 EDAB COCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 4971457 QJIBLJMNBYLNEK-UHFFFAOYSA-N 338.429 1.301 0 40 EDAB COc1ccc(-n2nnc(C(=O)NCc3cccs3)c2N)cc1 4985017 NZEDPSVQWUMXPG-UHFFFAOYSA-N 329.385 1.850 0 40 EDAB O=C(NCc1ccccn1)[C@@H](C(=O)c1ccccc1)n1ccccc1=O 6392758 IROZLBNZMMXUTO-GOSISDBHSA-N 347.374 1.984 0 40 EDAB Cc1sc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N(C)C 6659498 YGERNWADDIERDS-UHFFFAOYSA-N 325.415 1.954 0 40 EDAB COc1ccccc1NC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 24989996 BFTNLYMLCWGKKC-ZBFHGGJFSA-N 349.431 1.554 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2cscn2)CC1 55436516 XRTZTKQBCFJZTL-UHFFFAOYSA-N 347.488 1.770 0 40 EDAB Cc1cccc2sc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 25051495 XIHSDJLTTOEYOH-JTQLQIEISA-N 339.442 1.967 0 40 EDAB C[C@@H](O)CN1CCC(CN(C)[C@H](C)C(=O)Nc2nccs2)CC1 106781268 UQRJBIDZBLAEKG-CHWSQXEVSA-N 340.493 1.495 0 40 EDAB COCCn1nc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)ccc1=O 55734316 SQGSUONQLSOJFQ-AWEZNQCLSA-N 347.802 1.960 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@@H]2C=CCCC2)CC1 97049775 YJVXBHMTJPWRQR-CQSZACIVSA-N 338.477 1.878 0 40 EDAB CCOC(=O)n1nnc2c(C(=O)N3CCCCC3)ncn2c1=S 1408506 LCCFFCRKSWNVCO-UHFFFAOYSA-N 336.377 1.286 0 40 EDAB Cc1cccc(CN2CCN(C(=O)c3cnn4cccnc34)CC2)c1 44068797 GZMXFFZSSIEYJD-UHFFFAOYSA-N 335.411 1.996 0 40 EDAB CCOC(=O)C1=C(CN2c3ccccc3C[C@H]2C)NC(=O)N[C@@H]1C 12684057 VYMUDYIANGFTSE-VXGBXAGGSA-N 329.400 1.956 0 40 EDAB O=C(c1ccnc(-n2ccnc2)c1)N1CCN(Cc2ccco2)CC1 48245872 GRAJQMMECUZQLX-UHFFFAOYSA-N 337.383 1.818 0 40 EDAB COC(=O)[C@H](Cc1cccc(O)c1)N1C(=O)c2ccccc2C1=O 22065901 KIGGKSHXBJRUFV-HNNXBMFYSA-N 325.320 1.773 0 40 EDAB in-vitro COC(=O)c1ccc(CNc2nn3c(=O)cc(C)nc3s2)cc1 12766157 WYPZVDPIXOXERD-UHFFFAOYSA-N 330.369 1.858 0 40 EDAB C[C@@H](OC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C(N)=O 10068217 VSMZIUBBHACVTB-SNVBAGLBSA-N 337.353 1.284 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccco1 44868034 PHFXIRDKHRZKIH-CQSZACIVSA-N 336.413 1.796 0 40 EDAB Cc1cccc(C)c1OCCNC(=O)N[C@@H]1CCS(=O)(=O)C1 44946198 KMSGIVURKIUECA-CYBMUJFWSA-N 326.418 1.169 0 40 EDAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCc1ccccc1F 44966957 JIYWFQYDEJYQND-UHFFFAOYSA-N 340.376 1.655 0 40 EDAB C[C@H](NC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)[C@@H]1CCCO1 44954257 RLAKQBCNDOGYNO-YCPHGPKFSA-N 348.447 1.673 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 3313662 AEZULKNIKFKUOR-KRWDZBQOSA-N 346.387 1.078 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)NCc2ccccc2Cl)C1 48311736 QJXFOIMFWZIDFE-LBPRGKRZSA-N 345.852 1.563 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 29114201 UZVCEDXEVLCOMF-QGZVFWFLSA-N 334.391 1.984 0 40 EDAB COC(=O)c1cnc(C(=O)N[C@@H](C)c2c(F)cccc2OC)cn1 95456914 FJQDVRHWRDWRFZ-VIFPVBQESA-N 333.319 1.902 0 40 EDAB O=C(COc1cccc(N2CCCC2=O)c1)NCCc1ccccn1 21774853 HTFZNRZAWPAKNU-UHFFFAOYSA-N 339.395 1.946 0 40 EDAB Cc1nccn1-c1cc(CNC(=O)N[C@@H](C)[C@H]2CCCO2)ccn1 46100260 WMJFWVGGIWPUAZ-SWLSCSKDSA-N 329.404 1.942 0 40 EDAB CNC(=O)CN/C=C1/C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21 3423260 XMQUMPRLOOLMPT-GZTJUZNOSA-N 349.390 1.859 0 40 EDAB COc1ccc(CCNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 2633938 DZNQYFLLWHLCOK-HOTGVXAUSA-N 342.395 1.305 0 40 EDAB Cc1nc(S[C@@H](C)C(=O)NCc2ccco2)sc1CC(N)=O 37133036 ZADYNOUBXZNTRR-VIFPVBQESA-N 339.442 1.869 0 40 EDAB O=C(NCCc1cccs1)N[C@@H]1CCCc2c1cnn2CCO 65433950 ZTOGKKGAUFFRNK-CQSZACIVSA-N 334.445 1.856 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc2c(c1)OCCO2 2787313 PVURAGWMTAMQHX-UHFFFAOYSA-N 337.339 1.750 0 40 EDAB C[C@@H](CNC(=O)N1CCCN(c2nccs2)CC1)Cn1cccn1 68364371 VVIHVMSLGYYMBJ-AWEZNQCLSA-N 348.476 1.898 0 40 EDAB CCOc1ccc2c(c1)c(=O)c(C(=O)NC[C@@H]1CCCO1)cn2C 22237133 HJOYKIUYXRMGNR-ZDUSSCGKSA-N 330.384 1.846 0 40 EDAB O=S1(=O)CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 93047929 FOSBDMNAILCVCX-UHFFFAOYSA-N 325.821 1.961 0 40 EDAB CN1C(=O)COc2ccc(NC(=O)Cc3ccccc3C(=O)O)cc21 71287328 DMURAWRIVNCXAP-UHFFFAOYSA-N 340.335 1.921 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)CC2=O)cc1 4084495 KCSONDBGRXLCHV-NHYWBVRUSA-N 334.372 1.274 0 40 EDAB biogenic Cn1cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c2ccccc21 49581342 DSODSZCKEIDEQC-ZDUSSCGKSA-N 332.425 1.970 0 40 EDAB CN(C)c1nc(N)nc(CN(Cc2ccccc2)C[C@@H]2CCCO2)n1 83169194 RZWRFSJBSKCRIE-HNNXBMFYSA-N 342.447 1.701 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2n[nH]c(C)c2C)cc1 72286393 VBXGXGKCUYSDHD-UHFFFAOYSA-N 336.373 1.104 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3nnc(C(C)(C)C)o3)CCO2)n1 72267574 MSPCYDOECBEUIM-CYBMUJFWSA-N 334.424 1.476 0 40 EDAB C[C@H](C(=O)N[C@H]1CCc2nccn2C1)c1ccc2c(c1)OCCO2 72232581 JZNAEQNLLOUNCU-JSGCOSHPSA-N 327.384 1.889 0 40 EDAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(N)=O 5218320 YPVLYRBXOAJQFX-SNVBAGLBSA-N 329.447 1.222 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)Cn2c(=O)oc3ccccc32)no1 72299152 IWEDJWZKTHMGCY-GFCCVEGCSA-N 342.355 1.904 0 40 EDAB CN(CC(=O)NCc1ccco1)C(=O)/C=C/c1ccc2c(c1)OCO2 14094311 GAJIJVFSEJZYME-FNORWQNLSA-N 342.351 1.796 0 40 EDAB COc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)ccc1NC(C)=O 14071386 FYWLMVAIEJRIPC-PHIMTYICSA-N 342.417 1.452 0 40 EDAB CN1CCc2ncnc(N(C)Cc3nnc4n3CCCCC4)c2C1 65502515 JIHMRBDJEGITKW-UHFFFAOYSA-N 327.436 1.419 0 40 EDAB CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 65594278 KRBIJJPDGRWNSY-CVEARBPZSA-N 345.443 1.686 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(Cn2ccc(-c3ccsc3)n2)C1 65562267 BNIUQCDBTAGBPV-CYBMUJFWSA-N 340.474 1.583 0 40 EDAB COC(=O)c1ncn(CN(C)Cc2ccc(Br)cc2)n1 65553302 SHDPCPBTFLSKSA-UHFFFAOYSA-N 339.193 1.917 0 40 EDAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)N[C@H]1CCS(=O)(=O)C1 65516586 NZHUQNMVWGJLNT-QMMMGPOBSA-N 334.300 1.317 0 40 EDAB COCCn1c(C)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c1C 409131305 IVEOTJRRNFNHMY-KPKJPENVSA-N 338.385 1.872 0 40 EDAB C[C@@H](NC(=O)COc1ccccc1P(=O)(O)O)c1ccccc1 9304607 HWQWMNQFCFZXCV-GFCCVEGCSA-N 335.296 1.746 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NC[C@@H](C)O)CCCC2)c1 97177840 HMLAMWALUIWJNN-CQSZACIVSA-N 339.457 1.887 0 40 EDAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-n2cnnn2)cc1 9460370 IEIIDWCIUNCWMI-UHFFFAOYSA-N 348.366 1.807 0 40 EDAB COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC 9453649 ZAVXIMHILZHORD-UHFFFAOYSA-N 342.351 1.965 0 40 EDAB C[C@H]1CCCCN1C(=O)Cn1c(S(C)(=O)=O)nc2ccccc21 15374377 OALBWHQAMZXRBX-LBPRGKRZSA-N 335.429 1.841 0 40 EDAB Cc1cnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1 9427215 XCYUKWFLBPHKFF-UHFFFAOYSA-N 337.382 1.235 0 40 EDAB CC(C)C(=O)N[C@]1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O 9419150 FFSPYRMDTPNPSQ-ZDUSSCGKSA-N 344.293 1.164 0 40 EDAB CS(=O)(=O)CCC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 80365118 BJTRICSIQRLVHH-UHFFFAOYSA-N 342.436 1.341 0 40 EDAB Cc1cc(C)cc(CSCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 67744165 DWVGPSSJPGSUSA-AWEZNQCLSA-N 327.471 1.840 0 40 EDAB CN(C)C(=O)CN(C)S(=O)(=O)c1cccc(Br)c1 7309375 KJNXJGKRVXCOIU-UHFFFAOYSA-N 335.223 1.158 0 40 EDAB O=C(NCc1nc(C2CC2)no1)N1CCC[C@@H](CN2CCOCC2)C1 69933932 NTAKFRMOTXVXCC-ZDUSSCGKSA-N 349.435 1.201 0 40 EDAB O=C(COc1nsnc1N1CCOCC1)N1CCc2ccccc21 15729180 VABPUPQYFYGZJL-UHFFFAOYSA-N 346.412 1.343 0 40 EDAB O=C1CC[C@H](C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)N1 68105121 YLFGLFSHAKOSGO-HZPDHXFCSA-N 338.411 1.704 0 40 EDAB C[C@H](NC(=O)CC1CCCCC1)C(=O)NCCn1cnnc1C1CC1 96412660 YKFCZOJJCHWLLS-ZDUSSCGKSA-N 347.463 1.747 0 40 EDAB CNC(=O)CN1CCC(CN(C)C(=O)[C@@H](C)c2ccccc2)CC1 97163594 HBBRYNWIEUVWIL-HNNXBMFYSA-N 331.460 1.707 0 40 EDAB Cc1ccc(CN2C[C@@H](C(=O)/N=c3/sccn3C)CC2=O)cc1 69101313 CSIYJXBCIOWLLH-YWMAMYRUSA-N 329.425 1.871 0 40 EDAB Cc1ccc(NC2CCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CC2)nn1 71863565 SUPHZPPYQXKFII-HZPDHXFCSA-N 340.431 1.725 0 40 EDAB Cn1c(=O)ccn(CC(=O)N2CCCC[C@@H]2Cc2ccccc2)c1=O 69378491 IULAXVHUHJDCIF-MRXNPFEDSA-N 341.411 1.171 0 40 EDAB Cc1ccc(N2CCC[C@@H](N(C)CC(=O)Nc3cc(C)no3)C2)nn1 71859811 SJQGHVGHQQUXEV-CQSZACIVSA-N 344.419 1.621 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCC[C@@H]1c1ccc[nH]1 71818728 XPKDLCJYYUXJCU-CQSZACIVSA-N 344.415 1.933 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(Cc3cccs3)CC2)cn1 71841287 HWIFGFKORMJUHK-HZPDHXFCSA-N 330.457 1.930 0 40 EDAB O=C1C[C@@H](c2ccccc2)N2N=C(NC(=O)c3ccccn3)NC2=N1 17858118 GLLGSBDKEWPFNG-ZDUSSCGKSA-N 334.339 1.015 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnnn2C2CCOCC2)C1 69772824 PXNLFJTXQMAQRQ-VXGBXAGGSA-N 339.465 1.621 0 40 EDAB CCc1nn(C)c(Cl)c1CN1CCN(Cc2nccn2C)CC1 69818562 OYSTVXLIYYAVAI-UHFFFAOYSA-N 336.871 1.687 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)NCc2ccccc2Cl)CC1 69893848 KUHBCRFZJSSOMV-AWEZNQCLSA-N 339.867 1.609 0 40 EDAB O=C(NC[C@H]1CCCO1)N[C@@H]1CCCN(c2cccc(F)c2)C1=O 69976826 UIDUAQBHYXUTBA-HUUCEWRRSA-N 335.379 1.799 0 40 EDAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)C1=NO[C@@H](c2ccccc2)C1 71903686 NVFMPPTTYNIDDY-SWLSCSKDSA-N 338.429 1.786 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CCO1 72050505 IHVZNFAMIQWAGU-AGIUHOORSA-N 342.317 1.522 0 40 EDAB Cn1c(=O)c(Cn2cnc3sccc3c2=O)nc2cc(F)ccc21 97201061 QAJSPDBLVHGGRC-UHFFFAOYSA-N 342.355 1.892 0 40 EDAB Cc1[nH]ncc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc(-n2cncn2)cc1 97233901 CAPWGGPLBMOOKQ-DGCLKSJQSA-N 339.403 1.977 0 40 EDAB c1ccc(-n2nnnc2CN2CC[C@@H](CNc3ccccn3)C2)cc1 97200594 YMXIGARDPHOABR-HNNXBMFYSA-N 335.415 1.991 0 40 EDAB CCOC(=O)C1CCN(c2cc3c(cc2N)n(C)c(=O)n3C)CC1 72422441 LVYRJCXNJJYPAF-UHFFFAOYSA-N 332.404 1.239 0 40 EDAB C[C@@H]1CCO[C@@H]1C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 95446084 NBLMWWYOVLGESD-DYVFJYSZSA-N 328.416 1.632 0 40 EDAB Cn1cccc1C(=O)NC1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 73244056 FOFBYJKIVYCYNZ-KRWDZBQOSA-N 341.411 1.480 0 40 EDAB C[C@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)C[C@@H](C)S1 74095463 LONNMKVULWBUAJ-IYBDPMFKSA-N 348.516 1.946 0 40 EDAB NC(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cn1 95956361 ORASERLFCGNVOC-HOTGVXAUSA-N 343.358 1.970 0 40 EDAB Cc1c(C(=O)NC(C2CC2)C2CC2)cnn1[C@H]1CCS(=O)(=O)C1 95950136 KLYIRGLBTZGXOM-ZDUSSCGKSA-N 337.445 1.470 0 40 EDAB C[C@H](CNC(=O)N(C)CCS(C)(=O)=O)c1ccc(F)c(F)c1 74891696 DRUPCJBBNSARJH-SNVBAGLBSA-N 334.388 1.754 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3nc(-c4ccoc4)no3)CCO2)n1 75132215 PFNYUFNKZUOVQW-AWEZNQCLSA-N 344.375 1.439 0 40 EDAB Cn1cnnc1CSc1nnc(COc2ccc(F)cc2)n1N 89761943 IQCLEBNTUHNVIL-UHFFFAOYSA-N 335.368 1.131 0 40 EDAB CCCc1noc([C@H](C)N[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2CC)n1 89960496 UCGCSPRSOXKQTG-RWMBFGLXSA-N 344.481 1.733 0 40 EDAB COC(=O)c1ccnc(N2CCCN(Cc3ncc(C)o3)CC2)c1 75646807 UZLLQRCWRPOOME-UHFFFAOYSA-N 330.388 1.877 0 40 EDAB CCn1nc(C)cc1C(=O)N1Cc2ccnn2[C@H](CCN(C)C)C1 306134249 NGZMOGIMQPFWCL-OAHLLOKOSA-N 330.436 1.557 0 40 EDAB Cc1cc(CN2Cc3ccnn3C[C@H](CCNC(=O)N(C)C)C2)no1 306130986 JUBFTGAAVUNZHZ-CQSZACIVSA-N 346.435 1.473 0 40 EDAB Nc1cccc(C(=O)Nc2cc(C(=O)O)cc(S(=O)(=O)O)c2)c1 3844758 RSBNRULNEZTJNU-UHFFFAOYSA-N 336.325 1.466 0 40 EDAB biogenic CC(C)(C)c1ncc2c(n1)CCN(S(=O)(=O)CCCC(=O)O)C2 530150982 LDRXYBOPLBHQDD-UHFFFAOYSA-N 341.433 1.327 0 40 EDAB Cc1ccc(S(=O)(=O)NC(C)(C)CC(N)=O)c(Br)c1 186712858 REOPTLNJQNSEAV-UHFFFAOYSA-N 349.250 1.690 0 40 EDAB OCC(CO)N1CCC[C@H](Cc2ccnc(Nc3ccccn3)c2)C1 72363685 JSYBVYALOBBLNO-MRXNPFEDSA-N 342.443 1.828 0 40 EDAB NC[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218574542 AMPDDUOBEOSGMI-HRCADAONSA-N 336.844 1.936 0 40 EDAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1 32999406 FUBIUXSBOMFEAQ-ZDUSSCGKSA-N 326.824 1.946 0 40 EDAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NCc1ccccc1 72404274 USRCXLONNBWRQN-HNNXBMFYSA-N 347.440 1.790 0 40 EDAB Cc1nnc2c(=O)n(CC(=O)N3CCCCC3)c3ccccc3n12 64871462 RSRGMXDZFMBBRG-UHFFFAOYSA-N 325.372 1.365 0 40 EDAB COc1ncccc1CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 78988619 PVADBZMNRLKMLY-SNVBAGLBSA-N 346.309 1.053 0 40 EDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(C)=O)c1 32639804 QZORIMHNNZCJGA-UONOGXRCSA-N 338.454 1.984 0 40 EDAB CSc1ccc([C@@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 35598493 UEOXNEDKQQGXET-NSHDSACASA-N 332.385 1.030 0 40 EDAB COc1ccc([C@H](CNC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)N(C)C)cc1 71283122 ZPLXMYRPBNYYBO-KKUMJFAQSA-N 334.416 1.771 0 40 EDAB CC(C)[C@H](Sc1nnnn1C1CCCC1)C(=O)N1CCOCC1 73823011 SGMDECGVWJVSGR-ZDUSSCGKSA-N 339.465 1.764 0 40 EDAB CC(=O)Nc1ccc(OC[C@H](O)CN[C@H]2CCCc3c[nH]nc32)cc1 564852946 VIAQIMHLNPGBNT-WBVHZDCISA-N 344.415 1.775 0 40 EDAB O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224818153 YHQBVGAVQVHKPP-UHFFFAOYSA-N 349.364 1.738 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 46797457 ICEWEHDEFIIOOX-LLVKDONJSA-N 337.850 1.456 0 40 EDAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCCO 222825093 ROOIBHATJIWKNK-GFCCVEGCSA-N 326.824 1.966 0 40 EDAB CC(C)n1cc(S(=O)(=O)NCc2cccc(-c3nc[nH]n3)c2)cn1 81056000 VWWTYSDNMCRKKH-UHFFFAOYSA-N 346.416 1.728 0 40 EDAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3cccnc3)c(C)cc21 223352354 YIXRJJMDIFSWCE-UHFFFAOYSA-N 347.396 1.796 0 40 EDAB CC(C)(C)N1C(=O)C[C@H](NCC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 225420737 HMIYCSQGPMSLCA-SWLSCSKDSA-N 341.814 1.995 0 40 EDAB CC[C@@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)CN1CCCC1=O 195531504 UXEUSJVQDZAYJT-RTBURBONSA-N 345.487 1.566 0 40 EDAB NC(=O)NCCC(=O)N1CCc2cc(Br)cc(F)c2C1 332681415 MHMFFRSOYKIYFH-UHFFFAOYSA-N 344.184 1.531 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C3[C@H]4CCC[C@@H]34)CC2)C1 195534254 CBVJQVLDKORVGS-QZCLJCAXSA-N 347.503 1.872 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cccn1C)C2 96039541 PPYXZJWCFPOWDQ-PKOBYXMFSA-N 349.475 1.615 0 40 EDAB O=C(c1cnccn1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96373863 SYKVDAUFTNAIJQ-UHFFFAOYSA-N 349.387 1.694 0 40 EDAB CCn1nc(C)cc1C(=O)N1CC[C@H]2OCC[C@@]2(c2nc(C)no2)C1 96038755 RYDIKCTYYMKSNS-RHSMWYFYSA-N 345.403 1.476 0 40 EDAB O=C(OCCn1ncc2ccccc21)c1cccc(-n2cnnn2)c1 96413653 GZAKEYMKVHYUCN-UHFFFAOYSA-N 334.339 1.869 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccncc1 96200334 SPEDPFNXOSMQFG-DLBZAZTESA-N 336.457 1.986 0 40 EDAB Cn1cc([C@H]2CC(=O)NC23CCN(Cc2nccs2)CC3)cn1 96199764 MSKADRUPZPAQGU-CYBMUJFWSA-N 331.445 1.515 0 40 EDAB Cc1ccc([C@H]2CC(c3ccco3)=NN2C(=O)CNCCO)cc1 95116100 XLWVNKWJGPFRIP-MRXNPFEDSA-N 327.384 1.848 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C[C@H]2C(=O)O)cc1C 96069093 UPDZXDVWYBPGFG-IRXDYDNUSA-N 346.427 1.693 0 40 EDAB CN1C(=O)c2cccnc2O[C@H]2CN(C(=O)C3CCCCC3)C[C@H]21 514288838 CCAYCFSJFRKKKN-CABCVRRESA-N 329.400 1.706 0 40 EDAB biogenic,in-vitro O=C(NCCc1cccnc1)NCC[S@](=O)Cc1ccccc1 96408746 QLNZUUZMJBQMLI-HSZRJFAPSA-N 331.441 1.872 0 40 EDAB COCC(=O)N1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)CC1 96218051 OJQRJLMMVLXHSK-GOSISDBHSA-N 331.416 1.602 0 40 EDAB O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@](O)(c2cnn[nH]2)C1 583617850 ZJGMREUNNKISLD-QGZVFWFLSA-N 338.371 1.114 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 583616409 NXFBEOMVHXHBDQ-MRVWCRGKSA-N 329.393 1.376 0 40 EDAB Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)c4csc(C)n4)C[C@H]3O2)n1 96219705 AQBCIPLPWLSUBH-GMXVVIOVSA-N 334.401 1.615 0 40 EDAB O=C1N(Cc2ccccn2)CCC12CCN(S(=O)(=O)C1CC1)CC2 96046915 KILGSXFXSKARDP-UHFFFAOYSA-N 349.456 1.388 0 40 EDAB O=C1N(c2cncnc2)CC[C@@]12CCCN(CC1CCOCC1)C2 96048727 ONMPEJQXGCKNGO-GOSISDBHSA-N 330.432 1.722 0 40 EDAB O=C(c1cccnc1)N1CCC2(CC1)CCN(c1cncnc1)C2=O 96157928 XUPIANDLVUQONI-UHFFFAOYSA-N 337.383 1.531 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2ccc3ncccc3c2)Cc2ccnn21 247919418 BZCWZOZGBITCOW-INIZCTEOSA-N 349.394 1.765 0 40 EDAB COCC(=O)N1CCC[C@@H]1c1nc(C)cc(N2C(=O)OCC2(C)C)n1 257329406 XJWIVVVWMXIRPO-GFCCVEGCSA-N 348.403 1.830 0 40 EDAB CCCn1cc(-c2cncc(C[C@H]3CCN(S(C)(=O)=O)C3)n2)cn1 257296576 RDKDVCJMMWFHIZ-CYBMUJFWSA-N 349.460 1.574 0 40 EDAB COC[C@](C)(NC(=O)c1cncc(-n2ccnn2)c1)c1ccccc1 252495818 PBMXYJHGCDKMRB-SFHVURJKSA-N 337.383 1.954 0 40 EDAB Cc1cccnc1C(=O)N(C)C[C@@]1(O)CCCN(c2cnccn2)C1 257288030 PSMMEWZSZSGTOO-SFHVURJKSA-N 341.415 1.284 0 40 EDAB O=C(c1cscn1)N1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257220121 DJPUJAIVGRCTOV-KBPBESRZSA-N 329.381 1.400 0 40 EDAB CCCn1ccc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)n1 257209270 BPRUGTIJWMUDRF-DJIMGWMZSA-N 344.415 1.779 0 40 EDAB CCN(CC)C(=O)CCNC(=O)[C@@H]1COc2cc(OC)ccc2C1 64489610 AWANPNSYXHTBES-AWEZNQCLSA-N 334.416 1.621 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)CCCn2ccnc2)C1 257260731 LECJILIZDFCWCB-HNNXBMFYSA-N 342.447 1.976 0 40 EDAB CC(=O)N1CC2(CCN(Cc3cccc(C)n3)CC2)C[C@]1(C)CO 257244357 IKYVNMBTXIDHBX-GOSISDBHSA-N 331.460 1.975 0 40 EDAB COCCCNC(=O)c1ccc(Cl)c(C(=O)NCCCOC)c1 255188002 IFXUQENKNNOUOR-UHFFFAOYSA-N 342.823 1.873 0 40 EDAB Cc1c(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)[nH]c2ccc(F)cc12 257293811 QRGYPJFXJXWJFW-HZPDHXFCSA-N 331.391 1.897 0 40 EDAB O=C(C1CCC(F)(F)CC1)N1CC[C@@](O)(CN2CCOCC2)C1 257281498 OPMJSRNDZNEMDK-OAHLLOKOSA-N 332.391 1.108 0 40 EDAB CN(C1CCCC1)S(=O)(=O)N1CCC[C@H]1c1nccc(N)n1 1615547528 AZPFFCHAJCXQKT-LBPRGKRZSA-N 325.438 1.315 0 40 EDAB COCCn1ncc2c1[C@@H](NC(=O)c1ccnn1C(F)F)CCC2 1615557640 WWFMQEXUYFGQTJ-NSHDSACASA-N 339.346 1.929 0 40 EDAB CN1CCN(S(=O)(=O)c2cc(C(=O)O)sc2C(C)(C)C)CC1 1616029999 XOLRUAANBARPBN-UHFFFAOYSA-N 346.474 1.680 0 40 EDAB CO[C@@H]1CCCCC[C@H]1S(=O)(=O)NCCNc1ncccn1 1616000732 QXOXWGGABIYOCT-CHWSQXEVSA-N 328.438 1.156 0 40 EDAB COc1nn(C)cc1C(=O)NCCc1csc(-n2cccn2)n1 90609488 SZCHIOHAKNOPOX-UHFFFAOYSA-N 332.389 1.043 0 40 EDAB Cc1cccc(C(=O)N2Cc3ccnn3[C@H](CC(=O)N(C)C)C2)c1 575404449 CLLLBSRXYCMXFP-MRXNPFEDSA-N 326.400 1.867 0 40 EDAB Cc1ccnc(C(=O)NC[C@H]2CC[C@@H](Oc3cccc(F)c3)[C@@H]2O)n1 585285865 SQTQXVCUDFIMTC-DAXOMENPSA-N 345.374 1.872 0 40 EDAB COCC(=O)NCC[C@H]1CN(Cc2cccs2)Cc2ccnn21 585111773 BOOSLRONIUXODG-ZDUSSCGKSA-N 334.445 1.654 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)COC2CCCC2)Cc2cccn2C1 585099194 SPSYKJCIILCPSX-CQSZACIVSA-N 333.432 1.542 0 40 EDAB O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1ccc(=O)[nH]c1 69557397 ZZZFARKWOCJPFC-ZDUSSCGKSA-N 347.371 1.668 0 40 EDAB O=C(CC1CCCCC1)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 32754178 FMFTXONFPUEUJW-UHFFFAOYSA-N 330.388 1.881 0 40 EDAB Cc1nccc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)n1 1776008606 JSRHMVJMVVINGE-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB O=C(CSc1nccn1C1CC1)N1CCN(C(=O)C2CC2)CC1 53717608 ODRCMFKSVPVITO-UHFFFAOYSA-N 334.445 1.391 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1ncc2ccccc2c1=O 40493341 BIQOBYMRGAXKHP-SFHVURJKSA-N 348.406 1.527 0 40 EDAB Cc1cc(Cl)ccc1OCC(=O)NC[C@@H]1CCS(=O)(=O)C1 40497126 INAOOUSZGNGCMM-NSHDSACASA-N 331.821 1.578 0 40 EDAB CCn1c(N)c(C(=O)CN(C)[C@@H](C)c2cccs2)c(=O)[nH]c1=O 40475908 SINYLCVGIRJOLY-VIFPVBQESA-N 336.417 1.076 0 40 EDAB C[C@]1([C@H]2CCCN(CCCOc3ccc(F)cc3)C2)NC(=O)NC1=O 76059213 JLURQPHLYVBSLA-SCLBCKFNSA-N 349.406 1.905 0 40 EDAB O=C(COc1ccc(F)cc1)NC1CCN([C@@H]2CCOC2=O)CC1 89793222 JPIAHFPAMQLLHT-OAHLLOKOSA-N 336.363 1.101 0 40 EDAB COc1c(CNC(=O)N[C@@H]2CCN(CC3CCCC3)C2)c(C)nn1C 97377846 MLGFEJHPDFIVMX-OAHLLOKOSA-N 349.479 1.801 0 40 EDAB CCC(CC)[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)N1CCCC1 42869317 CBCLCMNEFDNHDQ-LSDHHAIUSA-N 345.509 1.373 0 40 EDAB O=C(c1cccnn1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615161222 MFSZTIZNHUKRHE-JKSUJKDBSA-N 337.420 1.011 0 40 EDAB Cc1noc(C)c1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 12784028 GCPLGLNDQVICQD-UHFFFAOYSA-N 349.456 1.939 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)on1 19119785 XIUFWHIOIIUCDR-GFCCVEGCSA-N 328.372 1.506 0 40 EDAB COc1cc2c(cc1CN1CC[C@H](c3cc(=O)[nH]c(C)n3)C1)OCO2 19285216 DRZKTGXYNUYTAM-LBPRGKRZSA-N 343.383 1.805 0 40 EDAB COCCn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)c2ccccc21 19576020 MHMTYEXTJXUBBW-RYQLBKOJSA-N 343.471 1.927 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2ccc(Cl)c(F)c2)CCN(C(C)=O)C1 607853274 GZDLPKYEZXBQDL-CYBMUJFWSA-N 341.814 1.505 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1ccccc1)C2=O 2642625 NAJOZKQODGBPGW-LIRRHRJNSA-N 343.427 1.846 0 40 EDAB CCc1c(C)ncnc1N1CCN(c2nc(COC)ns2)CC1 1888843515 JQHDMBRZMYDNRL-UHFFFAOYSA-N 334.449 1.672 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C)C[C@H]2C1 1888860238 YWQZGQPOVJWWHN-STQMWFEESA-N 334.445 1.291 0 40 EDAB CSc1nccc(N2CCN(c3cc(C)nc4ccnn34)CC2)n1 1888888128 WGXGSKVKTGKTFK-UHFFFAOYSA-N 341.444 1.876 0 40 EDAB O=C(c1csnn1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1889130426 JHXJYQGWOLSVKI-UHFFFAOYSA-N 330.291 1.855 0 40 EDAB CC(C)Oc1ccc(CN2CCO[C@@]3(COCC(=O)N(C)C3)C2)cc1 2037983745 DMLUGWKROUMFRS-LJQANCHMSA-N 348.443 1.533 0 40 EDAB CN(C)c1ccc(NC(=O)C[C@H](NCc2ccccn2)C(=O)O)cc1 4116950 JXNSKSRSHWHDBH-INIZCTEOSA-N 342.399 1.719 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)c(C)n[nH]2)c1 8465217 LZPYFRZUWBPSEK-UHFFFAOYSA-N 333.373 1.163 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc2c(c1)OCO2 10256225 RSMOCTIDOMIFIL-ZDUSSCGKSA-N 325.324 1.864 0 40 EDAB CC(C)N1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1 12441371 BRLTXULRNRLETM-UHFFFAOYSA-N 347.415 1.590 0 40 EDAB O=C(Cn1ccn(-c2ccccc2)c(=O)c1=O)Nc1ccccc1F 20488763 VSUFTXDIEGYDCB-UHFFFAOYSA-N 339.326 1.777 0 40 EDAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)NCC(=O)OCc1ccccc1 585149566 HBJIWCAWLQKDTC-HIFRSBDPSA-N 332.400 1.254 0 40 EDAB CC(=O)c1ccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)cc1 12388916 OIFDABXRIIXIRB-UHFFFAOYSA-N 339.355 1.500 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 40030883 PRSSSTGBIFTNJF-UHFFFAOYSA-N 344.415 1.619 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)cc1C 30333035 IHLWXJUQHPFEGZ-CYBMUJFWSA-N 326.418 1.422 0 40 EDAB O=C(NCCCn1ccnc1)C(=O)Nc1ccc(C(F)(F)F)nc1 40267099 QQOQJQPXVNMPDL-UHFFFAOYSA-N 341.293 1.442 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 31396688 LHQBQTNZWOABOO-ZIAGYGMSSA-N 342.399 1.592 0 40 EDAB c1ccc(-n2nnnc2N2CCN(CCc3ccccn3)CC2)cc1 40458985 QRAFYPXFXHUMHS-UHFFFAOYSA-N 335.415 1.422 0 40 EDAB C[C@@H](CNC(=O)CN1CCC[C@H](O)C1)c1nc2ccccc2s1 50958452 HCFBFIDAHJIYEY-STQMWFEESA-N 333.457 1.973 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCC(=O)N1CCOCC1 40536494 JGPCFLZJNKULCH-HNNXBMFYSA-N 343.431 1.509 0 40 EDAB CC(=O)N1CCN(CCNC(=O)Cn2cc(C)c3ccccc32)CC1 51344044 RVWINNKNTDUCQD-UHFFFAOYSA-N 342.443 1.230 0 40 EDAB Cc1cc(C)n(Cc2ccc(-c3noc(C(=O)NCCO)n3)cc2)n1 32103610 FSRFNYRVKYVIMG-UHFFFAOYSA-N 341.371 1.320 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1COc2ccccc2O1 32741207 ODUMARCNVJIOSP-KRWDZBQOSA-N 327.336 1.914 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)no1 41178883 ANEXZLDVUULNMO-UHFFFAOYSA-N 331.347 1.649 0 40 EDAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ncccc1O 32815033 KWAUZQRKVBYTGP-UHFFFAOYSA-N 327.340 1.932 0 40 EDAB COCC[C@@H](NC(=O)CCc1cccc(Br)c1)C(=O)O 52784261 HHNTUVVWEGFTJN-GFCCVEGCSA-N 344.205 1.988 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccn1 21895835 HBAQFLYWOOZCLL-INIZCTEOSA-N 347.440 1.701 0 40 EDAB CN1CC[C@@H](C(=O)NCc2ccnc(OC3CCCC3)c2)CC1=O 41398147 UAWFPTNYUKIKFP-CQSZACIVSA-N 331.416 1.888 0 40 EDAB CC(C)NC(=O)Nc1ccc(CNC(=O)c2cccc[n+]2[O-])cc1 53017919 OFHMCRNXDIYACA-UHFFFAOYSA-N 328.372 1.780 0 40 EDAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CCS(C)(=O)=O)C2=O)cc1 53573448 RGXQHKYCVDCICH-MRXNPFEDSA-N 338.429 1.622 0 40 EDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 37471615 YCZKDCFPIOJOGW-HOCLYGCPSA-N 329.444 1.988 0 40 EDAB O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)c1ccccc1 414732 YSLVWRVCXXYZKY-UHFFFAOYSA-N 332.327 1.199 0 40 EDAB CN1C(=O)N[C@](C)([C@H]2CCCN(CCCc3cnn(C)c3)C2)C1=O 78899307 XVDHFCRMHXOQPP-WMLDXEAASA-N 333.436 1.005 0 40 EDAB CC(C)(C)CCN1CCN(C(=O)c2ccccc2-n2cnnn2)CC1 79262474 ZSLVYNUABCCQKS-UHFFFAOYSA-N 342.447 1.856 0 40 EDAB CCOC(=O)NCC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 42749400 HVANFOZTODSMSX-LBPRGKRZSA-N 335.408 1.414 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 24051038 UQZGOCXFQFBDHI-TXEJJXNPSA-N 331.459 1.757 0 40 EDAB CCOC(=O)c1sc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)nc1C 4392375 YNJFRKHSGXPTPF-VIFPVBQESA-N 346.430 1.392 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]12 6472715 HDCIGZYTDLPJNV-PASDCYSWSA-N 341.363 1.680 0 40 EDAB CCC[C@@H]1C[C@](C)(c2csc(NCCNC(N)=S)n2)OC1=O 1757163 VFSUHWRAMFZEER-YMTOWFKASA-N 342.490 1.967 0 40 EDAB COc1ccccc1C(=O)N1CCN(Cc2nc(C3CC3)no2)CC1 26622047 ADSLZAWDTWSDSH-UHFFFAOYSA-N 342.399 1.914 0 40 EDAB Cc1ccc(F)c(N2CCC[C@@H](NC(=O)c3cnn(C)c3)C2=O)c1 95398154 PIJUXEAKKURXJY-CQSZACIVSA-N 330.363 1.793 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H](C)C(=O)N1CCCCC1)C2 58294706 HQCLHOMDGRAVNF-ZFWWWQNUSA-N 346.427 1.764 0 40 EDAB Cc1cc2n(n1)C[C@@H](CN[C@H]1CCCN(c3ncccn3)C1)CN2 58298866 PEMZFHYSMOEYQC-GJZGRUSLSA-N 327.436 1.282 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)NCCc2ccccn2)c1 44947238 RATNGSQTTGEVNR-UHFFFAOYSA-N 348.428 1.032 0 40 EDAB COc1ccc([C@@H](C)NC(=O)NCCNc2ncccn2)cc1OC 44971426 WAGCFTYSBVAEDP-GFCCVEGCSA-N 345.403 1.966 0 40 EDAB Cc1ccccc1CNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 73500177 WPDYANISGFRWEB-OAHLLOKOSA-N 344.459 1.489 0 40 EDAB O[C@H](COc1ccc(Cl)cc1)CN1CCN(c2ncccn2)CC1 25658960 ANWXWAZCOCWUCR-HNNXBMFYSA-N 348.834 1.692 0 40 EDAB C[C@@H](NC(=O)CNC(=O)Cn1cncn1)c1ccc(C(C)(C)C)cc1 58794525 NDDPATTYGBUFRV-CYBMUJFWSA-N 343.431 1.569 0 40 EDAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnnn1C 3344094 FSAZAXNZOBXBOZ-SSDOTTSWSA-N 327.797 1.991 0 40 EDAB CN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1CCS(=O)(=O)C1 45654326 GMVBVKRUDFCTBO-SNVBAGLBSA-N 332.372 1.541 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NOCc1ccccc1)C2=O 36727596 QMAHFPNXYULLGR-UGSOOPFHSA-N 345.399 1.735 0 40 EDAB COc1ccc(O[C@@H](C)C(=O)N2CCN(c3cnccn3)CC2)cc1 11546635 LVMCHLBLQCLRBP-AWEZNQCLSA-N 342.399 1.601 0 40 EDAB Cc1cc(NC(=O)CN2CCN(Cc3cccc(F)c3)CC2)no1 29641526 NHKXVXHGTWKTPK-UHFFFAOYSA-N 332.379 1.878 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)n(C)c1 102445305 SDRVOYYMEBWSKP-BYNQJWBRSA-N 339.461 1.488 0 40 EDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCc1ccccc1 13018703 GOJYGAGEIWPIQO-UHFFFAOYSA-N 326.352 1.504 0 40 EDAB C[C@H](c1ccc2c(c1)OCO2)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 3881904 LCPQTKFZJSZOCI-PHHVORFRSA-N 343.335 1.343 0 40 EDAB biogenic Cc1ccc(C)c(-n2nnnc2SCC(=O)NC(=O)NC(C)C)c1 6098604 JRUISJIXRJTCNF-UHFFFAOYSA-N 348.432 1.605 0 40 EDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccccc1F 4370549 GDOFIVBYOFRBGO-UHFFFAOYSA-N 327.319 1.421 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)Cn2nnn(-c3ccccc3)c2=O)c1C 9313902 UKUJXKMWHJVKLL-UHFFFAOYSA-N 339.355 1.459 0 40 EDAB COCCCNC(=O)CN(C)C(=O)[C@]1(N(C)C)CCc2ccccc21 65564397 MNQQRBPTSQFRSA-IBGZPJMESA-N 347.459 1.001 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@H](Cc2ccccc2)C1=O 65562423 ATZNSISDOMZKRX-CVEARBPZSA-N 337.379 1.246 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)NCC1(N2CCOCC2)CCCCC1 65575122 YKLOXOHUTZJLPU-INIZCTEOSA-N 349.479 1.606 0 40 EDAB COc1cc2ccccc2cc1C(=O)NC1CCN(CC(N)=O)CC1 14142254 AUGPNIDPMXSKEJ-UHFFFAOYSA-N 341.411 1.528 0 40 EDAB O=C(CSc1nc(Cc2cccs2)n[nH]1)NC[C@@H]1CCCO1 65604970 IQCAIGUUJFEHGV-JTQLQIEISA-N 338.458 1.844 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H](C)c1ccc(F)c(F)c1 95436964 CBRQJHRCNSITCT-HZMBPMFUSA-N 325.359 1.988 0 40 EDAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N=c1[nH]cc[nH]1 72402483 VCOAITAXDYHGSB-UHFFFAOYSA-N 325.324 1.444 0 40 EDAB COc1ccc(Cl)cc1N1C(=S)N[C@@H]2CS(=O)(=O)C[C@@H]21 6673274 YNGCEUOHUHDCOX-SCZZXKLOSA-N 332.834 1.209 0 40 EDAB CN(C)c1nc(N)nc(CSc2nnc(Cc3cccs3)o2)n1 66261607 FUWKXPGQYAITCJ-UHFFFAOYSA-N 349.445 1.847 0 40 EDAB CC(C)(CNC(=O)[C@H]1CCCCN1C(=O)c1cccs1)C(N)=O 97362272 AAFAIDCBLQRJFR-LLVKDONJSA-N 337.445 1.371 0 40 EDAB NC(=O)c1ccccc1OCC(=O)NC[C@H]1COc2ccccc2O1 4956311 NTUSFRAUNZRCQC-LBPRGKRZSA-N 342.351 1.121 0 40 EDAB CCc1nn(C)c(CC)c1CNC(=O)N[C@H](C)c1nnc2n1CCC2 95437550 IHBQXOUSGKJHEI-LLVKDONJSA-N 345.451 1.643 0 40 EDAB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)NCc1ccco1 7250369 RWADXTYVNRFMFG-LLVKDONJSA-N 341.327 1.117 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@H](C)O1 7308159 DLSBZVDIJVWUPY-RYUDHWBXSA-N 327.402 1.646 0 40 EDAB Cc1ccccc1[C@H]1CCCN1C(=O)CN1CCS(=O)(=O)CC1 71819354 VGCNBDXQCBIUTN-MRXNPFEDSA-N 336.457 1.389 0 40 EDAB C[C@@H](c1nc(-c2cccs2)no1)N1CCO[C@H](Cn2cncn2)C1 70015999 VQQOOHWJEOOPGX-RYUDHWBXSA-N 346.416 1.852 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)c1 71870916 RURZKAYIYJDYAW-ZDUSSCGKSA-N 337.383 1.905 0 40 EDAB CCc1nnc(CN(C)[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)o1 71870785 RHEBBIGCUIJCQO-CYBMUJFWSA-N 346.435 1.989 0 40 EDAB Cc1nc(-c2ccco2)ccc1C(=O)N[C@H](C)C(=O)N1CCOCC1 71854067 PHBKIESHNLCKSM-CYBMUJFWSA-N 343.383 1.627 0 40 EDAB Cc1noc2ncc(C(=O)N3CSC[C@H]3C(=O)NCC(C)C)cc12 69453273 JGVVNZLZCOMBOH-ZDUSSCGKSA-N 348.428 1.819 0 40 EDAB COC(=O)c1cc(NCC(=O)NC2CC2)ccc1Br 91551070 FYTZIZFPCKTCHW-UHFFFAOYSA-N 327.178 1.926 0 40 EDAB CCN(CC)CCCN(C)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 69596639 NHQIMIBETMHBFU-CQSZACIVSA-N 334.464 1.776 0 40 EDAB CCCCCCNC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 69534494 ODRLXAGWZLJVIT-UHFFFAOYSA-N 334.420 1.994 0 40 EDAB O=S(=O)(Cc1cccc2cccnc12)N[C@H](CO)c1ccco1 95433306 PEUDCUSAHANPNE-CQSZACIVSA-N 332.381 1.981 0 40 EDAB CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cn(C)cn2)C12CCCC2 71921021 UBUSUTWIMQCOTN-STQMWFEESA-N 327.450 1.778 0 40 EDAB CCOCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 17400899 TZYSGJSQIQABNJ-UHFFFAOYSA-N 348.852 1.747 0 40 EDAB O=C1[C@H](Sc2nnnn2CC(F)(F)F)CCN1CC(F)(F)F 71910969 USCKPUFWOIKMFY-RXMQYKEDSA-N 349.260 1.491 0 40 EDAB CC(=O)Nc1nc(CN2CCC[C@@H]2Cn2nc(C)nc2C)cs1 69739128 KKKJAZIWFKJMIO-CQSZACIVSA-N 334.449 1.974 0 40 EDAB NC(=O)c1csc(CN2CCNC(=O)C[C@H]2c2ccccc2)c1 92076165 ZMQJIKWQEJZYGY-HNNXBMFYSA-N 329.425 1.910 0 40 EDAB CCN1CCCN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)CC1 69809124 KDYGENUMRFYMNH-UHFFFAOYSA-N 346.427 1.975 0 40 EDAB CC(C)c1noc([C@H](C)N2CCN(Cc3cnn(CCO)c3)CC2)n1 69950498 WGCHAYNSHDKEEV-AWEZNQCLSA-N 348.451 1.261 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)C2(c3ccccc3C)CC2)CC1 69977926 NDIMJMMSSKACNJ-KRWDZBQOSA-N 346.471 1.568 0 40 EDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 8708259 DFBCDXILBCWRRB-SGTLLEGYSA-N 345.399 1.377 0 40 EDAB O=C(NC[C@H]1CN(CC2CCOCC2)Cc2ccnn21)N1CCCC1 306143109 XTMFDDLOCDWUFZ-KRWDZBQOSA-N 347.463 1.472 0 40 EDAB Cc1ccc(CC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cn1 70890405 HKBNFRWWGNBEIC-HNNXBMFYSA-N 330.409 1.967 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)Cn2ccc(=O)c3ccccc32)C1 96999361 ZJAUQLGPNCBDIQ-OAHLLOKOSA-N 327.428 1.850 0 40 EDAB CCS(=O)(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 97098319 CUSKKJISQRKHJK-UHFFFAOYSA-N 331.401 1.879 0 40 EDAB COC(=O)C1(N(C)C(=O)[C@H](C)OC[C@H]2CCCCO2)CCCC1 97020108 ASUPOXHYEDVVNC-UONOGXRCSA-N 327.421 1.905 0 40 EDAB Cc1cccc(OC[C@@H](O)CNC[C@@H]2CCCN2c2cccnn2)c1 72253911 HZMAAAFDSQCEJM-IRXDYDNUSA-N 342.443 1.783 0 40 EDAB O=C(NCCNc1cc(N2CCC[C@H]2CO)ncn1)c1cccs1 72276142 XKEVSFDZLZFWPU-LBPRGKRZSA-N 347.444 1.341 0 40 EDAB OCCn1ncc2c(NC[C@H](c3ccco3)N3CCCC3)ncnc21 97199768 VTZMUYKGWWMUSH-CQSZACIVSA-N 342.403 1.661 0 40 EDAB CCS(=O)(=O)N1c2ccc(C(=O)NCCCOC)cc2C[C@@H]1C 20448887 PNPVBMUSSSMOAS-LBPRGKRZSA-N 340.445 1.554 0 40 EDAB CN1CCN(C[C@H]2CCCN(c3cc(-n4ccnc4)ncn3)C2)CC1 95960967 VDUCYEGIUQTGCY-MRXNPFEDSA-N 341.463 1.126 0 40 EDAB CC(=O)NCCCS(=O)(=O)c1nccn1-c1ccc(C)cc1C 95977394 VJDZQKHPTAYAIC-UHFFFAOYSA-N 335.429 1.789 0 40 EDAB CNC(=O)CC1CCN(C(=O)[C@H](Cc2ccccc2)N(C)C)CC1 74515581 CRSSCCAQIFWRAJ-KRWDZBQOSA-N 331.460 1.534 0 40 EDAB Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@H]3CNC(=O)N3)cn2)c1 89623952 IYDUQVDEOIWISL-CQSZACIVSA-N 340.383 1.788 0 40 EDAB NC(=O)C1(CNCc2cccc(OC(F)(F)F)c2)CCOCC1 89780646 BVKUYCPRTXZRIJ-UHFFFAOYSA-N 332.322 1.957 0 40 EDAB Cc1nc(CN2CCN(CCS(C)(=O)=O)CC2)nc2ccccc12 89934432 AETKWBQPTOQARC-UHFFFAOYSA-N 348.472 1.100 0 40 EDAB C[C@H](CNC(=O)NCCc1nnc2n1CCCCC2)N(C)C1CC1 89901068 XCLYDJVJACQDRQ-CYBMUJFWSA-N 334.468 1.329 0 40 EDAB CN(C(=O)NCCCn1ccnc1)[C@@H]1CCN(c2ccccc2)C1=O 76065772 OWJVYCKBBDCHMG-MRXNPFEDSA-N 341.415 1.720 0 40 EDAB COc1ccc(CC(=O)NCCCN2CCN(C)CC2)cc1OC 22829367 FPJOJFYJVFSMOW-UHFFFAOYSA-N 335.448 1.000 0 40 EDAB O=C(O)[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc2ccccc2c1 547877263 OTFYYTKBQJTIDU-MLGOLLRUSA-N 349.408 1.998 0 40 EDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H](CC(F)F)C(=O)O 548205412 XZOYAYNQQUDLJU-SECBINFHSA-N 339.364 1.468 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](C)N1CCOCC1 32434130 MPZYNROBBCLIDV-LLVKDONJSA-N 332.853 1.647 0 40 EDAB CC(C)C(=O)Nc1nc(CC(=O)N[C@](C)(C(=O)O)C2CC2)cs1 538503524 WFHVLNJSKNWNKO-HNNXBMFYSA-N 339.417 1.650 0 40 EDAB NCC1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 218454025 IEPPVTRWAMIYKW-JKSUJKDBSA-N 334.416 1.669 0 40 EDAB O=C(O)c1ccc(NC2CCCCC2)c(S(=O)(=O)NCCO)c1 217457544 ORYVXHDROPEDDT-UHFFFAOYSA-N 342.417 1.400 0 40 EDAB CN1CCN(C(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)CC1 36635258 AGLPTDZGPBZPGC-ZDUSSCGKSA-N 333.413 1.419 0 40 EDAB O=C(O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326458 YZBUTCZJOYLUPQ-OAHLLOKOSA-N 337.763 1.289 0 40 EDAB Cc1cncc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)c1 565553258 IQTNFHMDVOQGHU-SWLSCSKDSA-N 327.388 1.073 0 40 EDAB C[C@@H](CNc1ccccc1S(=O)(=O)C(F)F)N1CCN(C)CC1 78988184 RHTFXSAZRVPQLJ-LBPRGKRZSA-N 347.431 1.731 0 40 EDAB CNC(=O)[C@H]1CCCN1Cc1ccc(OCc2nccn2C)cc1 79071296 YOVCMGQPDHRELF-MRXNPFEDSA-N 328.416 1.710 0 40 EDAB C[C@@H]1CCCCN1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 32850923 HAMKYHUVZSWGFH-GFCCVEGCSA-N 337.445 1.098 0 40 EDAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3CC(N)=O)n2)n1 72383072 PVMUIGCLPQLWSY-ZDUSSCGKSA-N 327.392 1.249 0 40 EDAB CCOC(=O)c1cnc(NC(=S)NCCCn2ccnc2)nc1C 225198166 DWXOWKRCLOJWGI-UHFFFAOYSA-N 348.432 1.535 0 40 EDAB Cn1ncnc1CNc1ccc(Cl)c(-n2nnnc2C2CC2)c1 195537435 QBQLRDXWGRGXOB-UHFFFAOYSA-N 330.783 1.934 0 40 EDAB CO[C@@H](C)c1nsc(N2CCN(c3c(N)c(C)nn3C)CC2)n1 225751003 RBMGFKHTUXBDBV-JTQLQIEISA-N 337.453 1.196 0 40 EDAB CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 85928872 CWIYXQGIFONLJE-CABCVRRESA-N 334.347 1.485 0 40 EDAB CC(C)N(C)c1ccccc1NS(=O)(=O)[C@H](C)C(=O)N(C)C 225437469 GGPIVIZTYHVXQN-GFCCVEGCSA-N 327.450 1.750 0 40 EDAB Cc1ccc(C(=O)N2CCC(c3cc(C(N)=O)[nH]n3)CC2)cc1F 225560341 DZIAAPMATVVXPM-UHFFFAOYSA-N 330.363 1.976 0 40 EDAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC(C)C 223737676 LPHJWSOZADCLTB-CQSZACIVSA-N 328.434 1.764 0 40 EDAB C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1cc(F)c(F)c(F)c1 195530966 YOKFEQFFKOVIFS-UWCLWIGYSA-N 341.376 1.634 0 40 EDAB CNC(=O)c1cc(NC(=O)N2CCN3CCCC[C@@H]3C2)ccc1F 89391730 XGMXMIBWCKQNLM-CYBMUJFWSA-N 334.395 1.887 0 40 EDAB CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)Nc1nccs1)CS2 85473889 MEBLMIFABOZYQE-SECBINFHSA-N 336.442 1.931 0 40 EDAB Cn1cc(-c2nnn3c2CO[C@@H](CNCc2ccc(F)cc2)C3)cn1 96061016 HMZVDAUICOXTKO-HNNXBMFYSA-N 342.378 1.506 0 40 EDAB O=C(c1ccnnc1)N1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107654 ZYQMXBDVRAGLJX-YOEHRIQHSA-N 326.356 1.324 0 40 EDAB CN1C[C@H](c2ccccc2)[C@]2(CCN(C(=O)c3ccnnc3)C2)C1=O 96063628 XMHIEKNFCCQMES-VQIMIIECSA-N 336.395 1.565 0 40 EDAB CCOCC(=O)N1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96106867 YCNOPNFSQXVYQD-MRXNPFEDSA-N 334.416 1.785 0 40 EDAB COc1cccc([C@@H](O)C(=O)N2CCN(Cc3ccco3)CC2)c1 95450031 XYKWCDMPZDNRGW-QGZVFWFLSA-N 330.384 1.666 0 40 EDAB O=C1CO[C@@]2(COCCN(Cc3ccoc3)C2)CN1c1ccccc1 96051262 VKVVDKBPERBUAZ-LJQANCHMSA-N 342.395 1.914 0 40 EDAB CCS(=O)(=O)N[C@@H]1COCCC12CCN(Cc1ccoc1)CC2 96206680 MRVUCYDFSHCEST-OAHLLOKOSA-N 342.461 1.590 0 40 EDAB COc1c(Br)c(C(=O)Nc2c(C)nn(C)c2C)nn1C 96181015 CKOWMZKDGPXYJX-UHFFFAOYSA-N 342.197 1.794 0 40 EDAB CN(CCNC(=O)c1cnc2ccccn2c1=O)C(=O)OC(C)(C)C 96403306 SPILMZKBGLKQGE-UHFFFAOYSA-N 346.387 1.291 0 40 EDAB OCCn1nc(C2CCOCC2)nc1[C@@H]1COc2ccccc2C1 96163524 VZHQXGGILIJDJI-HNNXBMFYSA-N 329.400 1.883 0 40 EDAB O=C(N1CCN(c2ccccc2O)CC1)C(F)(F)C1(O)CCC1 96486161 OCKYADLVHNGFMR-UHFFFAOYSA-N 326.343 1.591 0 40 EDAB Cc1noc(CN2CCN(C(=O)Nc3ccccc3N(C)C)CC2)n1 96415794 FMALPMONUUAMBC-UHFFFAOYSA-N 344.419 1.794 0 40 EDAB COCCN1C(=O)CCC12CCC(NC(=O)c1cnccn1)CC2 96228556 ABSAPYIVDXJDFF-UHFFFAOYSA-N 332.404 1.157 0 40 EDAB CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnc(C)s1 330413666 SZTDSLROAMKSHH-NSHDSACASA-N 331.463 1.984 0 40 EDAB O=C(NC[C@@H](CO)Cc1ccccn1)[C@H]1CCOc2ccccc21 96454736 OOIPFHBWYMUNNE-YOEHRIQHSA-N 326.396 1.915 0 40 EDAB CC(C)C(=O)N1CCO[C@]2(COCCN(Cc3cccnc3)C2)C1 96228941 LSDWHZLDZWEGJK-SFHVURJKSA-N 333.432 1.167 0 40 EDAB CS(=O)(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 96239662 ULGMOTWPTJWKMF-ZDUSSCGKSA-N 349.378 1.718 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@]1(COC)C(N)=S 242548282 LHLJZUMOTPNPIH-NFAWXSAZSA-N 327.471 1.814 0 40 EDAB C[C@@H]1CN(C(=O)c2coc(Sc3ncccn3)n2)[C@H](C)CN1C 585135582 RISXQXSDVCRQMQ-GHMZBOCLSA-N 333.417 1.780 0 40 EDAB Cc1cccc(C)c1OCCC(=O)N[C@@H](CO)[C@@H](O)c1ccccn1 585134476 VMZKLNXCBKGUAY-WMZOPIPTSA-N 344.411 1.678 0 40 EDAB CNC(=O)[C@@H]1COC2(CN(Cc3ccccc3F)C2)CN1CC1CC1 247954693 NNASCGIMDQXNHA-KRWDZBQOSA-N 347.434 1.237 0 40 EDAB COc1cc(C)nc(N2CCC[C@@H](C(=O)NC[C@H]3CCCO3)C2)n1 245227242 HVLBZKZPUGAUQC-ZIAGYGMSSA-N 334.420 1.305 0 40 EDAB O=C(COC[C@@H]1CN(CC2CCC2)Cc2cncn21)N1CCCC1 247752571 WWVBNVFYTZITEQ-KRWDZBQOSA-N 332.448 1.679 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(S(=O)(=O)c3ccccc3C)CCO2)n1 257213326 CHBLGOHPQIDNLR-AWEZNQCLSA-N 349.412 1.561 0 40 EDAB CCN1C(=O)C[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1Cl 257327774 XCQKKJJAESUKKQ-CJNGLKHVSA-N 337.851 1.927 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1C(=O)C1CCOCC1 257206208 BCIURWYDGXSEMR-LBPRGKRZSA-N 341.433 1.293 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cncs3)CCN2C)c1 257268069 MKBIDXKERPRHNE-AWEZNQCLSA-N 344.440 1.632 0 40 EDAB CC(C)[C@]1(c2nc(-c3cccc(OCC(N)=O)c3)no2)CNC(=O)C1 1614997918 LONXPEKYLRXEKA-QGZVFWFLSA-N 344.371 1.014 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H](CN[C@H]2C(=O)NCC2(C)C)C2(CC2)C1 1615001055 KPJGYSYBMRPNDM-OLZOCXBDSA-N 337.464 1.748 0 40 EDAB Cc1nn(CCO)cc1CN1CC[C@](O)(Cc2ccc(F)cc2)C1 1615549479 NFWFCTRFFVKTMS-SFHVURJKSA-N 333.407 1.502 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575406514 YDSHXMNCNBVICP-CYBMUJFWSA-N 326.418 1.432 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2cncn2[C@H](C(=O)NCc2cccs2)C1 585096006 KCQLBTPMLOXMQZ-UGFHNGPFSA-N 344.440 1.800 0 40 EDAB CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)NC2(c3ccc(F)cc3)CC2)[C@@H]1O 585281462 XYAMUXTWHLZEBQ-OAGGEKHMSA-N 334.391 1.549 0 40 EDAB CC(C)(O)CN1CCC(NCc2nncn2-c2ccccc2)CC1 585141176 QVBXQEYRTJWQMP-UHFFFAOYSA-N 329.448 1.592 0 40 EDAB C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)CC1CC1 585097225 GPOLZVCKNVWGLE-CYBMUJFWSA-N 328.416 1.527 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCOC[C@@H]2c2cccc(F)c2)c1 585091950 UAYMZRXRXMMDFV-CYBMUJFWSA-N 325.365 1.321 0 40 EDAB CC(C)(O)Cn1c(N)nc2cc(I)ccc21 675081528 GGLAFYMAIPDMMA-UHFFFAOYSA-N 331.157 1.994 0 40 EDAB CC(C)(C)C(=O)N1CCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1 69972222 XGEDJCRUPJDGGH-NSHDSACASA-N 335.370 1.340 0 40 EDAB CCc1nn2c(=O)cc(CN3CCC[C@H]3Cn3cccn3)nc2s1 69744819 RRPHHJJUGUCVRR-ZDUSSCGKSA-N 344.444 1.575 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)Cn2c(=O)oc3ccccc32)no1 72299151 IWEDJWZKTHMGCY-LBPRGKRZSA-N 342.355 1.904 0 40 EDAB CC(C)Cc1nc(CS(=O)(=O)[C@H](C)C(=O)NC2CCCC2)no1 44938685 MPZHEQMMIGNDHH-LLVKDONJSA-N 343.449 1.630 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)N2CC[C@H](Cc3ccccc3)C2)C1 76087032 QXLRBCDWFSTEMB-QZTJIDSGSA-N 330.476 1.506 0 40 EDAB Cc1ccc(-c2nnc(NC(=O)Cn3nnnc3C(C)C)[nH]2)s1 76093887 NTGAPCQOEHKLFM-UHFFFAOYSA-N 332.393 1.590 0 40 EDAB O=C(Cn1cnnn1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 60378500 IVFUMPCESSKMCG-UHFFFAOYSA-N 348.794 1.591 0 40 EDAB COCc1ccccc1S(=O)(=O)N=c1nc([C@@H](C)OC)[nH]s1 585129025 VKSADKNJZBQMIQ-SECBINFHSA-N 343.430 1.615 0 40 EDAB COC(=O)[C@H]1CCN2C(=O)N(c3cccc4c3ccn4C)C(=O)[C@@H]2C1 586871197 CZRCZERQSBCGNM-NHYWBVRUSA-N 341.367 1.899 0 40 EDAB COc1ccc(Br)cc1CCC(=O)N1CCNCC1 107586574 PIONSMXJKJKMPJ-UHFFFAOYSA-N 327.222 1.822 0 40 EDAB OC1(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCCC1 1615109780 VNXDRBQDUHHRPI-GOSISDBHSA-N 339.407 1.573 0 40 EDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1 5717374 HIQXQJGCBWKRFC-NWDGAFQWSA-N 340.376 1.318 0 40 EDAB COCCN1CC2=C(C1=O)[C@H](c1ccc(SC)cc1)NC(=O)N2 12347122 TUSGWBJUUCVSGG-AWEZNQCLSA-N 333.413 1.505 0 40 EDAB CCc1nc(N)nc(N)c1-c1ccc2n[n+](-c3ccccc3)n(O)c2c1 13212486 VSAPQNJYMPBEKN-UHFFFAOYSA-O 348.390 1.734 0 40 EDAB COc1cccc(N(CC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)c1 13648124 BRBZCGXVZJCGBY-ZDUSSCGKSA-N 340.445 1.720 0 40 EDAB CCc1cc(C(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)no1 19522615 GBZMNSYOVCMCGG-GFCCVEGCSA-N 342.399 1.760 0 40 EDAB O=S(=O)(c1ccccc1C(F)(F)F)N1CC[C@@H](n2ccnn2)C1 206936164 ZQAKEWDORACMCX-SNVBAGLBSA-N 346.334 1.933 0 40 EDAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 8477173 FTEVWJSSYGTCDX-YRNVUSSQSA-N 345.311 1.705 0 40 EDAB CCN1CCN(C(=O)C[C@@H]2CSc3nc(C)c(C)c(=O)n32)CC1 14034781 FBGRRXSCWKZKIG-CYBMUJFWSA-N 336.461 1.061 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](N(C)c2ncnc(C(C)C)c2F)C1 1888853696 QSNFHVZSKPLJAF-LBPRGKRZSA-N 344.456 1.989 0 40 EDAB COc1ccnc(N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)n1 1888859289 ITHLUJSJGCABBO-GHMZBOCLSA-N 346.366 1.001 0 40 EDAB Cc1cnc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)nc1 2086968299 ATQWSMGBLNXHKM-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB O=C(c1cc[nH]c1)N1CCOC[C@@]2(C[C@H](Cn3ccnc3)CO2)C1 1565546612 AXFLDZWZRRBULO-RHSMWYFYSA-N 330.388 1.159 0 40 EDAB Cc1nn2c(=O)/c(=C\c3ccccc3C(F)(F)F)sc2nc1=O 4772370 YLYAXKMSYYSCKI-UXBLZVDNSA-N 339.298 1.386 0 40 EDAB Nn1c(SCc2cccc(Cl)c2)nnc(CCC(=O)O)c1=O 4727561 BLFVSBVVIGYIQF-UHFFFAOYSA-N 340.792 1.315 0 40 EDAB Cc1cncc(C(=O)N[C@@H]2CCc3onc(C(=O)NC(C)C)c3C2)c1 2055738679 JGRRACLNOVZVOQ-CYBMUJFWSA-N 342.399 1.804 0 40 EDAB Cc1cccc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086883040 YGTMHMKDSZUKNT-CYBMUJFWSA-N 325.359 1.853 0 40 EDAB CN([C@H]1CCCN(Cc2cc(C3CC3)on2)C1)S(=O)(=O)C1CC1 2086889125 CFJCQMQHHNFFAN-AWEZNQCLSA-N 339.461 1.940 0 40 EDAB COCCN1CCC(CNS(=O)(=O)c2ccccc2OC)CC1 38583053 VRQSLJGJVAQGJB-UHFFFAOYSA-N 342.461 1.332 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1ccnc(-c2cnn(C)c2)c1 575619795 YZBMPBLSPPUWCI-UHFFFAOYSA-N 347.400 1.565 0 40 EDAB O=C(NC1CCN(c2cnsn2)CC1)c1ccc2nsnc2c1 575615968 KCYAAGROBWZRGF-UHFFFAOYSA-N 346.441 1.942 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](Cn2ccnn2)C(C)C)cc1 575616422 MGIVGAHLGIDODL-HNNXBMFYSA-N 338.433 1.680 0 40 EDAB O=C(NCc1ccco1)c1nnn(-c2ccc(Br)cc2)n1 75163768 QFPUJEQXXYQHAO-UHFFFAOYSA-N 348.160 1.948 0 40 EDAB CC(C)N(C)C(=O)C1CCN(Cc2nnnn2-c2ccccc2)CC1 30272685 RYNAEYQLRINVQW-UHFFFAOYSA-N 342.447 1.741 0 40 EDAB COc1ncccc1CNC(=O)C[C@@H](NC(N)=O)c1cccc(C)c1 30303927 ZJDVAQSUHFHMGO-OAHLLOKOSA-N 342.399 1.815 0 40 EDAB Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NC2CCC(C)CC2)on1 40106142 YYTZTTDUTNHOFN-YDGIUTOCSA-N 328.434 1.981 0 40 EDAB Cn1c(=O)ccn(CC(=O)N[C@@H](c2cccs2)C2CCCC2)c1=O 31803201 VZXYQMUYZPOZKF-MRXNPFEDSA-N 347.440 1.656 0 40 EDAB Cc1cc(=O)n2c(n1)NC(NC[C@@H]1CCCO1)=N[C@@H]2[C@@H]1CC=CCC1 101264294 PDDQUYJKJXKOPI-YCPHGPKFSA-N 343.431 1.957 0 40 EDAB Cc1noc(CS(=O)(=O)CC(=O)NCC2(c3ccccc3)CC2)n1 52435077 YLTZULJMJXOWSK-UHFFFAOYSA-N 349.412 1.141 0 40 EDAB COc1ccc(CCNC(=O)c2ccc(N3CCOCC3)nc2)cc1 32873940 RTVQYSBNTIOPID-UHFFFAOYSA-N 341.411 1.899 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)c3cccc[n+]3[O-])c2O1 52642777 VVWXSBUBLBACGE-UHFFFAOYSA-N 328.368 1.842 0 40 EDAB CC(C)[C@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)N(C)C 32925744 SCGYVYFYHLLVKT-KRWDZBQOSA-N 347.415 1.031 0 40 EDAB COc1cc(OC)cc(-n2c(=O)[nH]c3cc(C(=O)O)ccc3c2=O)c1 423064 TXBKBIUDBAKPSQ-UHFFFAOYSA-N 342.307 1.394 0 40 EDAB COc1ccc(OC)c2c1CN(CC(=O)Nc1cc(C)on1)C[C@@H]2O 53144855 IVXAFYNJLBHJSM-LBPRGKRZSA-N 347.371 1.488 0 40 EDAB CC(=O)NCCNC(=O)Cc1c(C)nn(-c2ccccc2F)c1C 42299088 IRJCLGOLLRRPFB-UHFFFAOYSA-N 332.379 1.423 0 40 EDAB O=C1CNC(=O)N1N1C(=O)CS[C@@H]1c1cccc2ccccc12 97069 OZFGCVBHIMEQQB-OAHLLOKOSA-N 327.365 1.881 0 40 EDAB CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1 427267 NHQIKFPAGQAAJH-UHFFFAOYSA-N 336.438 1.958 0 40 EDAB COC(=O)c1ccsc1NC(=O)Cc1ccc(-n2cnnn2)cc1 77660424 CVQMVHZFIDQSMC-UHFFFAOYSA-N 343.368 1.692 0 40 EDAB Clc1snnc1CN1CCO[C@@H](CNc2cccnn2)C1 78893544 XRDLAXAMIUICAJ-VIFPVBQESA-N 326.813 1.294 0 40 EDAB NS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(Br)cc2)C1 79111231 YZUHEMKQHWRIHD-SNVBAGLBSA-N 348.222 1.344 0 40 EDAB CC(=O)S[C@@]12CCCN1C(=O)[C@]1(SC(C)=O)CCCN1C2=O 1563002 LRUYQQROGQPNAF-ZIAGYGMSSA-N 342.442 1.197 0 40 EDAB O=C(Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](CO)O1)c1ccccc1 1612176 ZNZDAJZEPSQWJN-STQMWFEESA-N 339.355 1.749 0 40 EDAB CCCNC(=O)c1c(NC(=O)c2noc3c2C[C@H](C)CC3)cnn1C 2727628 VCFRXNSWLBGAEW-SNVBAGLBSA-N 345.403 1.925 0 40 EDAB C[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)CN1CCCC1 55265510 BINWUFWVLCNXIZ-ZDUSSCGKSA-N 340.445 1.468 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1cn(C)nc1C 100141313 QYAWQPHJFXYPMC-IUODEOHRSA-N 336.399 1.982 0 40 EDAB O=C(CN1C[C@H](O)C[C@H]1C1CCCCC1)NC(=O)NCc1ccco1 106853657 SETRNCHIDAJXKM-ZBFHGGJFSA-N 349.431 1.621 0 40 EDAB C[C@H](OC[C@@H](O)CNC[C@H]1CN(C)CCO1)c1ccc(Cl)cc1 106908583 RIMQWFGSNOPHFA-JQFCIGGWSA-N 342.867 1.699 0 40 EDAB NC(=O)C[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)C1 107148709 OBPCIWGFXQWTNO-ZNMIVQPWSA-N 333.436 1.664 0 40 EDAB O=C(NS(=O)(=O)c1cccc2nsnc12)[C@@H]1C[C@H]2CC[C@H]1C2 108063840 BQAVSROJOFYUMO-LPEHRKFASA-N 337.426 1.932 0 40 EDAB Cn1ncnc1CNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 89293616 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CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccn(C)c(=O)c1 44976229 TXYSCURBJUXSJB-UHFFFAOYSA-N 347.440 1.198 0 40 EDAB O=C(Cn1ccc(=O)c2ccccc21)/N=c1/[nH]nc(-c2ccccn2)[nH]1 58323012 JHGWMRGWWCEQPA-UHFFFAOYSA-N 346.350 1.242 0 40 EDAB O=S1(=O)CC[C@@H](N(C2CC2)S(=O)(=O)c2ccccc2Cl)C1 58457623 AXMZQQUEBHCRIY-LLVKDONJSA-N 349.861 1.680 0 40 EDAB Cc1c(C(=O)NCCc2nnc3ccccn23)[nH]c2c1C(=O)CCC2 48300680 FPHNCZHUXFIIJH-UHFFFAOYSA-N 337.383 1.857 0 40 EDAB O=C(O)CCN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 3402018 BQLNMIGKYBXFDD-UHFFFAOYSA-N 332.809 1.121 0 40 EDAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cnn(C)c1C 71280583 UKMPBFWVFHYLNU-LLVKDONJSA-N 331.376 1.920 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3CCCC3)C2=O)cc1 3461674 PFZOMOONHPUMNY-GOSISDBHSA-N 329.400 1.821 0 40 EDAB O=C(C[C@@H]1SC[C@H](C(=O)O)NC1=O)Nc1ccccc1Cl 20635099 BPADCFRPGPKVHC-ZJUUUORDSA-N 328.777 1.353 0 40 EDAB COCCCNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 48560820 DWCWMJFNTFZGSP-UHFFFAOYSA-N 340.811 1.434 0 40 EDAB CCC(CC)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3563622 WYZCJHVWKWFQTP-SFHVURJKSA-N 329.400 1.685 0 40 EDAB CCn1cnnc1CNC(=O)N1CCN(c2cccc(C)c2)CC1 46965401 DFJJHJFKLRAXRV-UHFFFAOYSA-N 328.420 1.638 0 40 EDAB O=C1[C@@H]2CCCN2C(=O)N1C[C@@H](O)COCc1ccccc1Cl 12987984 NXXUVZALOHCJDU-OCCSQVGLSA-N 338.791 1.644 0 40 EDAB O=C(NCc1ccc(N2CCOCC2)nc1)NOCc1ccccc1 12986975 PFVABEZEDJTXEF-UHFFFAOYSA-N 342.399 1.849 0 40 EDAB C[C@@H](NC(=O)Cn1cn[nH]c1=O)c1cccc(Br)c1 96007097 LGYKJIZDLJENOI-MRVPVSSYSA-N 325.166 1.211 0 40 EDAB CCCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCC(=O)NC2)cc1 63813666 BSEJGCDERJTADK-NSHDSACASA-N 339.417 1.303 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)N1CCCC[C@@H](N2CCCC2)C1 95393981 CPHAOWNFNZPARP-IAGOWNOFSA-N 338.496 1.367 0 40 EDAB CN(C(=O)Nc1cccnc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 65399460 IRPGPECYLPCFIC-LBPRGKRZSA-N 338.433 1.333 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)c2ccc(=O)[nH]c2)Oc2ccccc21 65423206 COUSQWNZTCNYOQ-CQSZACIVSA-N 327.384 1.734 0 40 EDAB CCC(=O)c1ccc(OCC(=O)NC[C@H]2CCCN2CCOC)cc1 65514848 YAYCQELJIXCTDQ-MRXNPFEDSA-N 348.443 1.885 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)CNc1ncnc2cc(Cl)ccc12 65627123 XWMJGEJHEKEBBO-CYBMUJFWSA-N 347.806 1.432 0 40 EDAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)OCCO)C2=O 84721032 KHGFJYLSRKYODC-UHFFFAOYSA-N 340.420 1.439 0 40 EDAB COc1ccc(CC(=O)Nc2cccc(-n3cnnn3)c2)c(OC)c1 5482737 WNQGBMBGQPNRDB-UHFFFAOYSA-N 339.355 1.861 0 40 EDAB Cc1cc(C)nc(-n2nc(C)cc2NS(=O)(=O)c2cnn(C)c2)n1 66247439 SDDYLIGVVOWSTM-UHFFFAOYSA-N 347.404 1.122 0 40 EDAB O=C(CS(=O)(=O)Cc1cccc2ccccc12)NC[C@H]1CCOC1 66499094 HDKGNGJXIBRULM-CQSZACIVSA-N 347.436 1.907 0 40 EDAB COCCNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 15272609 MMNJJRXWTCZQTQ-CYBMUJFWSA-N 340.445 1.626 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C 7361602 VYKHTXJLUCQPPZ-UHFFFAOYSA-N 334.397 1.921 0 40 EDAB Cc1csc(NC(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)n1 95407786 KTALZIOHIKLELA-UHFFFAOYSA-N 343.416 1.973 0 40 EDAB Cc1nc(S(=O)(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cn1C 95432885 YNXIDRSCSMLZAX-KRWDZBQOSA-N 349.456 1.863 0 40 EDAB C[C@H](CNC(=O)N1CCc2ccccc2[C@H]1CO)Cn1cccn1 95417104 WGZYXAZDCFGHJL-RHSMWYFYSA-N 328.416 1.821 0 40 EDAB O=S1(=O)CC[C@@H](N2CCN(c3nc4ccccc4s3)CC2)C1 71837411 NGQWFXOJUTZRTF-GFCCVEGCSA-N 337.470 1.605 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1cnn(-c2ccccc2)c1 71829680 YQZCWJUVGGPTCI-UKRRQHHQSA-N 326.400 1.527 0 40 EDAB CCC[C@H](C(=O)OCC)N1CCC[C@H](C(=O)N2CCOCC2)C1 70040447 UVBRKWWDIWIFAM-LSDHHAIUSA-N 326.437 1.289 0 40 EDAB c1csc(-c2nc(CN3CCO[C@H](Cn4cncn4)C3)co2)c1 70040035 MDHOSKMCTBCTFF-ZDUSSCGKSA-N 331.401 1.896 0 40 EDAB C[C@@H](CN1CCCC1=O)NC(=O)c1cccc(CN2CCOCC2)c1 71896039 FYYOHBHIRVLPAX-HNNXBMFYSA-N 345.443 1.260 0 40 EDAB COCCCOc1ccc(C(=O)NCCC(=O)N2CCCCC2)cn1 69350700 GWQFZNGKMFLSOW-UHFFFAOYSA-N 349.431 1.629 0 40 EDAB CC(=O)N1CCC(NC(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 69367508 KAXXEUSRCNDHTP-UHFFFAOYSA-N 331.351 1.147 0 40 EDAB NC(=O)c1cnc(N2CCN(C(=O)c3ccccn3)CC2)c(Cl)c1 71816318 OVYXBZYZHAOTOL-UHFFFAOYSA-N 345.790 1.191 0 40 EDAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](C(N)=O)C1 71847308 WPIYZJSQGBKWDN-GHMZBOCLSA-N 343.449 1.020 0 40 EDAB COC[C@@H](C)NC(=O)NC[C@H](O)COc1cccc2ccccc12 69416659 ZEGKNXBPLSHNIF-HIFRSBDPSA-N 332.400 1.914 0 40 EDAB CNC(=O)c1ccc(CNC[C@H]2CCO[C@H]2c2cnn(C)c2)cc1 83882300 AELDUHZWMMKEBR-NVXWUHKLSA-N 328.416 1.647 0 40 EDAB CCc1noc(CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1 69521220 NYFUSTDBQMBUSY-UHFFFAOYSA-N 340.387 1.466 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccccc1C(=O)NCCO 69659763 COTXYNQZNLSTFF-UKRRQHHQSA-N 333.432 1.516 0 40 EDAB CCc1cccc(C(=O)OC)c1NS(=O)(=O)c1cn(C)c(C)n1 71914657 WPIJLIPQXAVMJG-UHFFFAOYSA-N 337.401 1.878 0 40 EDAB O=S(=O)(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cccnc1 71904722 ACINVRRVXYHSEQ-UHFFFAOYSA-N 333.348 1.484 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1c[nH]c2ncccc12 69921064 GRIXDOSPMMMXBW-OAHLLOKOSA-N 343.431 1.235 0 40 EDAB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2cccnc2)c1 72270466 MVMDVNZPADDMKO-UHFFFAOYSA-N 340.426 1.903 0 40 EDAB Cc1noc(COCC(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)n1 72284686 WLGQTWQZNNCGOL-LBPRGKRZSA-N 349.391 1.807 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(C(N)=O)cn1 72234148 PIALAFDQEMENFO-CQSZACIVSA-N 327.388 1.508 0 40 EDAB CNC(=O)c1cccc(CCNC(=O)c2cnn(C(C)(C)C)c2)c1 72293668 ASJLWRLZUTZLEQ-UHFFFAOYSA-N 328.416 1.970 0 40 EDAB O=C(CC/N=C(\O)c1ncccc1O)NCCc1ccc(F)cc1 72284061 BAAWYTSTMJCMHJ-UHFFFAOYSA-N 331.347 1.980 0 40 EDAB O=C(c1ccc(N2CCCC2)nc1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269649 DNAXHMLSQOYCFE-DLBZAZTESA-N 344.459 1.353 0 40 EDAB COCCn1cc(NC(=O)NC2Cc3ccccc3C2)ccc1=O 97140876 JUISBMLOVCTJKO-UHFFFAOYSA-N 327.384 1.784 0 40 EDAB Cn1nnc2cc(C(=O)NCCc3nc(-c4ccccc4)n[nH]3)ccc21 97379601 PUARFGVMGAKGLP-UHFFFAOYSA-N 347.382 1.726 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(CCOc3cccc(F)c3)C2)C1=O 84597360 HBBAFSGYYNPFMJ-KRWDZBQOSA-N 335.379 1.609 0 40 EDAB CCN(CC)[C@H]1CCN(C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 95962283 MGTUADFBXCGDOI-ZDUSSCGKSA-N 347.398 1.749 0 40 EDAB COc1cc([C@@H](C)NCCc2nc(C)no2)ccc1S(C)(=O)=O 89518940 HLKMZAIYZONTDM-SNVBAGLBSA-N 339.417 1.683 0 40 EDAB Cc1ccnc2nc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)nn12 76092506 UKYLTPGFEFMECU-UHFFFAOYSA-N 339.334 1.421 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 22515920 CLJXHAQRYKMBAN-MRXNPFEDSA-N 338.473 1.749 0 40 EDAB CN([C@H](C(=O)O)c1ccc(F)cc1)S(=O)(=O)c1cncc(F)c1 547600195 RHRWIYKZLBBKHL-ZDUSSCGKSA-N 342.323 1.806 0 40 EDAB Cc1nc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2nccc3[nH]ccc23)n[nH]1 1032633651 SWNNAXXLXXRBEH-RYUDHWBXSA-N 337.387 1.088 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1N1CCCC1 217533175 HQQPJMZHDGGOMX-LLVKDONJSA-N 342.417 1.298 0 40 EDAB CCC(CC)C(=O)NCCn1nc([C@H]2CCN(C)C2)c2nccnc21 72391643 GWUXBLJFMXQTBT-AWEZNQCLSA-N 344.463 1.798 0 40 EDAB O=C(NC[C@@](O)(c1ccco1)C1CC1)[C@H]1COc2ccccc2O1 75154902 MXXKQGCVIXLWRR-QAPCUYQASA-N 329.352 1.833 0 40 EDAB O=C([C@H]1CCCN1C(=O)Cc1cccc(Cl)c1)N1CCOCC1 79001296 YDTMXZIVKFYJBF-OAHLLOKOSA-N 336.819 1.732 0 40 EDAB CC1(C)[C@H]2CN(C(=O)NC3CCN(CC(=O)N4CCCC4)CC3)C[C@H]21 73966276 XHPQGJIIZRZLGG-IYBDPMFKSA-N 348.491 1.371 0 40 EDAB O=C(NCCCO)c1nc(-c2ccc(Cn3ccnc3)cc2)no1 31807876 MJXDSFKVVWOZMH-UHFFFAOYSA-N 327.344 1.094 0 40 EDAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3CC(N)=O)n2)n1 72383065 BYZLCLWKOYPQSQ-CQSZACIVSA-N 326.404 1.854 0 40 EDAB Cc1cc(C)cc(C(=O)NCc2nccc(N3CCOCC3)n2)c1 224170122 CSNVUCPNPPFFGB-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H]1Cn1cncn1 69814211 JHOOMUHIEMQWRH-NVXWUHKLSA-N 327.432 1.790 0 40 EDAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCN(C)C)ccc21 225692303 BLWSMLOXHMPGBB-UHFFFAOYSA-N 343.474 1.313 0 40 EDAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2cnc3sccn3c2=O)C1 223184117 OBOZMXXMWYOCLP-LLVKDONJSA-N 348.428 1.133 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H]1Cc2ccccc2CO1 225787089 VYLOJJCDFKYMDE-OAHLLOKOSA-N 335.429 1.457 0 40 EDAB Cn1cnc2cc(C(=O)OCc3ccc(-n4ccnc4)nc3)cnc21 195567257 UASQLKCMTSUFFB-UHFFFAOYSA-N 334.339 1.906 0 40 EDAB CCOCC(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159738 MCXQZVFNDCFJPK-GOSISDBHSA-N 334.391 1.813 0 40 EDAB O=C(NCCN1CCCC1)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccoc2)O1 96110709 JLSSCNIAWHLPGJ-ZACQAIPSSA-N 333.432 1.223 0 40 EDAB Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NCc4ccco4)O[C@@H]3C2)nn1 96042789 YBXWXTIPDRFMKA-NUEKZKHPSA-N 342.399 1.678 0 40 EDAB Cc1nc(CN2C[C@H]3OC[C@H](CC(=O)N4CCCO4)[C@H]3C2)cs1 96209650 YFTYUWXBOGILTI-NWANDNLSSA-N 337.445 1.452 0 40 EDAB CN(Cc1cnccn1)S(=O)(=O)c1cnn(-c2ccccc2F)c1 96428078 MJLJHNSUDDLVQE-UHFFFAOYSA-N 347.375 1.622 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@@H]12)N1CCCC1 96057212 VVFHWRZEEUNDTB-NUJGCVRESA-N 329.444 1.789 0 40 EDAB Cn1c(=O)n(CCOc2cccc(S(C)(=O)=O)c2)c2ccccc21 96414746 MURUYRDOPQFUCQ-UHFFFAOYSA-N 346.408 1.823 0 40 EDAB COc1ccc(CCC(=O)O)cc1S(=O)(=O)N1CCCCC1 96509651 KLENZCXJANPISE-UHFFFAOYSA-N 327.402 1.887 0 40 EDAB O=C(C1CCOCC1)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048426 YXHPJQQZXRBPTJ-CRAIPNDOSA-N 346.431 1.465 0 40 EDAB CCn1cc(S(=O)(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 583650667 PNUAYKMWOUEKBG-FVQHAEBGSA-N 346.456 1.312 0 40 EDAB Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)Nc2cnn(C)c2)on1 583621106 JRRWTLGQPPRLNE-AAEUAGOBSA-N 336.371 1.451 0 40 EDAB Cn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1ccccn1)C2 96198300 URXGCEXWLDWUED-HNNXBMFYSA-N 326.400 1.981 0 40 EDAB CCN1CCO[C@H](C(=O)N2CCCN(Cc3ccccc3F)CC2)C1 96444680 OYMBQNFHBIWUBQ-SFHVURJKSA-N 349.450 1.581 0 40 EDAB CC(C)CCN1C[C@@H]2[C@@H](C(=O)NCC3CC3)CCS(=O)(=O)[C@@H]2C1 96082976 PHEOTYYNEZUQDV-ARFHVFGLSA-N 342.505 1.294 0 40 EDAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccccc1OCC(=O)O)CC(=O)O2 95477825 GQMHTFWEEPEUOM-LLVKDONJSA-N 329.308 1.588 0 40 EDAB O=S(=O)(NC[C@]12COC[C@H]1CN(C1CCC1)C2)c1ccccc1 96208324 QSGABFWVQYJJDU-PBHICJAKSA-N 336.457 1.466 0 40 EDAB Cc1cccc(C(=O)N2CC3(CCN(C(=O)c4cccnc4)C3)C2)n1 96046468 KHZPIVGLIWOOJT-UHFFFAOYSA-N 336.395 1.773 0 40 EDAB CN(C)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 585141522 BJNKCJFVOXOUEL-CABCVRRESA-N 340.445 1.973 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2ccnn21 247953915 NEMZMLLCFCLTCL-INIZCTEOSA-N 335.367 1.374 0 40 EDAB Cc1nnc(N2CC3(C[C@H](OCC(=O)N(C)C)CS3)C2)s1 247993316 LXNWHLOQPOJQBN-JTQLQIEISA-N 328.463 1.016 0 40 EDAB COCC(=O)NC[C@H]1CN(Cc2ccc(C)s2)Cc2ccnn21 248086477 KKSUBAIGONATGX-AWEZNQCLSA-N 334.445 1.573 0 40 EDAB COc1cccc(S(=O)(=O)N2CC3(C[C@@H](OC)CS3)C2)c1 247848755 NTDLKQZGJLMBSU-GFCCVEGCSA-N 329.443 1.590 0 40 EDAB Cc1cc(OC(=O)C[C@H](O)[C@@](C)(CO)C(=O)O)cc(C)c1Cl 253372431 FHSFGKOTLUEZAH-XHDPSFHLSA-N 330.764 1.696 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCO[C@@H](c2cnccn2)C1 257227601 FQAZAFSGNXRGEO-OAHLLOKOSA-N 327.340 1.462 0 40 EDAB Cc1nc(O)cc([C@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 257252324 JUJMXTJGABZSLJ-OAHLLOKOSA-N 346.387 1.628 0 40 EDAB Cc1ncc(CNS(=O)(=O)c2cccnc2)c([C@@H]2CCCN2C)n1 257296530 RDFJHQXLCPOXCG-HNNXBMFYSA-N 347.444 1.425 0 40 EDAB O=C(NCC[C@H](O)c1ccoc1)C(=O)Nc1ccc2c(c1)OCCO2 253400631 LMDGMUQVFBJDAB-ZDUSSCGKSA-N 346.339 1.229 0 40 EDAB COc1ncccc1CNC(=O)NCCc1ccc2c(c1)OCCO2 26384291 ICMHBNUXBWHMSK-UHFFFAOYSA-N 343.383 1.903 0 40 EDAB Cc1c[nH]c([C@@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)CCO2)n1 257317350 VJKWBSMGQRZCSR-JTQLQIEISA-N 343.309 1.534 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)c2cccn2C)n1 257292262 QKSGVUBTRKJXON-CQSZACIVSA-N 327.388 1.429 0 40 EDAB CCN1CCC(N2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)CC1 257212277 CCQCWMJPNOZFPG-LBPRGKRZSA-N 326.466 1.087 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)CCc3ccnn3C)CCN2C)cc1 257228748 FVBFDWMGZVKJOE-SFHVURJKSA-N 342.443 1.877 0 40 EDAB COc1ccc(/C=C/C(=O)N2CC(Nc3ncccn3)C2)cc1OC 253474418 GDAJUPAJWNKZTC-FNORWQNLSA-N 340.383 1.830 0 40 EDAB COc1ccccc1C(=O)N1CC[C@@H](c2ncc(CNC(C)=O)[nH]2)C1 257328813 XHFMVOSZIBZYSY-CYBMUJFWSA-N 342.399 1.684 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCO[C@H](c3ccsc3)C2)cn1 268262963 XYAMSWPXSLWOCX-AWEZNQCLSA-N 331.397 1.716 0 40 EDAB COc1c[nH]c(C(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1=O 604418838 JSSORBHBYXWHNI-INIZCTEOSA-N 338.367 1.636 0 40 EDAB COc1cc([C@H](C)NC(=O)c2cncnc2)ccc1S(C)(=O)=O 1615614874 JQXJJZLTBZVGIR-JTQLQIEISA-N 335.385 1.380 0 40 EDAB O=C(NCCn1cnc(C2CC2)cc1=O)[C@@H]1COc2ccccc2O1 390828750 TZQVMVVKLQHBFU-INIZCTEOSA-N 341.367 1.077 0 40 EDAB COc1nc(CNC(=O)c2ccc(C(C)=O)s2)nc(N(C)C)n1 575604367 XRQKWSPXWYATIG-UHFFFAOYSA-N 335.389 1.140 0 40 EDAB O=C(CCc1cccc(Cl)c1)N1CC(CN2C(=O)COC2=O)C1 575615622 GVJYTXRZFHEDGY-UHFFFAOYSA-N 336.775 1.710 0 40 EDAB Cc1nc2ccc(N3C(=S)N[C@@H]4CS(=O)(=O)C[C@@H]43)cc2s1 575424284 UMVZDJRGLFFNOO-MNOVXSKESA-N 339.467 1.465 0 40 EDAB O=C(c1ccccc1)N1CCC2(CC1)CO[C@@H](CN1CC[C@H](O)C1)C2 585103126 DJOFRACYYHXCQL-ZWKOTPCHSA-N 344.455 1.765 0 40 EDAB Cc1n[nH]c(C)c1CN1CCOC[C@@](O)(COc2ccc(F)cc2)C1 585275210 AJWDJQFOBSETHA-GOSISDBHSA-N 349.406 1.808 0 40 EDAB O=C(c1ccncc1)N1CCOC[C@@](O)(COc2ccc(F)cc2)C1 585269306 OTMFHYPZIWMQBM-GOSISDBHSA-N 346.358 1.503 0 40 EDAB COC[C@H]1CN(C)C2(C1)CN(S(=O)(=O)c1ccc(OC)cc1)C2 585093796 GFNXEFLLDKHAEQ-CYBMUJFWSA-N 340.445 1.036 0 40 EDAB Cn1cnc2c1C[C@H](CO)N(S(=O)(=O)c1ccccc1Cl)C2 585094708 IRPLMNAQNIQQDC-SNVBAGLBSA-N 341.820 1.181 0 40 EDAB NC(=O)[C@H]1CC(C(=O)NCCc2cccs2)=NN1c1ccccc1 29203552 IBQHVBKOSSTMIM-OAHLLOKOSA-N 342.424 1.527 0 40 EDAB CN1CCC[C@H]1C(=O)N1CCCN(Cc2ncc(Cl)n2C)CC1 69776399 KOIXJDZSIZNINX-ZDUSSCGKSA-N 339.871 1.202 0 40 EDAB CCc1nnsc1C(=O)NC[C@@H](CC(C)C)N1CCOCC1 36709658 CWCHKDMNDKOEPN-GFCCVEGCSA-N 326.466 1.577 0 40 EDAB O=C(NCc1nnc2ccccn12)Nc1cccnc1-n1cccn1 48196719 YZQKZAXXGPNMJK-UHFFFAOYSA-N 334.343 1.632 0 40 EDAB CN(CC(=O)N1CCC(Oc2ccccc2)CC1)c1cnccn1 55975847 XQTPKVKBQZYPIK-UHFFFAOYSA-N 326.400 1.983 0 40 EDAB CCO[C@@H](CC)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 57200263 SSGDXHPVRZVAAY-AWEZNQCLSA-N 328.434 1.205 0 40 EDAB C[C@H](CNC(=O)c1ccc(-c2ccco2)[nH]c1=O)Cn1cccn1 75125432 KUGQLBGHQUVASB-GFCCVEGCSA-N 326.356 1.898 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)CCn3ccccc3=O)CCO2)n1 78889641 UJDZFVPTPJYGCR-ZDUSSCGKSA-N 345.403 1.080 0 40 EDAB CCCN1CCCC[C@H]1C(=O)N1CC(n2cc(C(C)(C)O)nn2)C1 95998142 XBLFVQWHVFFAFY-AWEZNQCLSA-N 335.452 1.153 0 40 EDAB O[C@H]1CO[C@H](Cn2cc(C3CC3)nn2)[C@@H]1NC1CCC(F)(F)CC1 1549162322 TXNBHRZIQXHFOY-RRFJBIMHSA-N 342.390 1.451 0 40 EDAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccccc1 5205621 MJEHGNGDJMZFTM-UHFFFAOYSA-N 347.396 1.190 0 40 EDAB O=c1cccnn1CCNS(=O)(=O)c1ccc2ccccc2c1 11856374 KSQFERXMKFZBJW-UHFFFAOYSA-N 329.381 1.375 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCC[C@@]2(C1)NC(=O)c1ccccc1N2 12089263 IJPBLNBWZZGNKO-SFHVURJKSA-N 339.399 1.516 0 40 EDAB COc1ccc2cc(C(=O)N3CCc4nc(C)[nH]c(=O)c4C3)[nH]c2c1 12732842 OZQLLYAWXICCDJ-UHFFFAOYSA-N 338.367 1.767 0 40 EDAB CC(C)CCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(C)CC3 19446954 TZFLQLFGCUWYEF-UHFFFAOYSA-N 342.443 1.660 0 40 EDAB Cc1cc(C)n(CCCN(C)S(=O)(=O)N2CCC[C@@H](C)C2)n1 19654476 QYDQSKGOGJREDE-CYBMUJFWSA-N 328.482 1.799 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(c2ccccn2)CC1 19658734 OWFVPGGCCKKIDP-UHFFFAOYSA-N 335.433 1.323 0 40 EDAB C[C@H](CNC(=O)N1CCCN(C(=O)C2CC2)CC1)c1nccs1 152943009 QRARYTUSDCOLLT-GFCCVEGCSA-N 336.461 1.901 0 40 EDAB Cc1ccc(C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)s1 36397476 AQRBGXYVQBUZQQ-QWRGUYRKSA-N 346.474 1.225 0 40 EDAB O=C(CCNC(=O)c1ccco1)NCCc1ccc2c(c1)OCCO2 8193192 DJCBKERJXILBSC-UHFFFAOYSA-N 344.367 1.530 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617584 LCEALLMHIWDAGW-AAEUAGOBSA-N 332.429 1.056 0 40 EDAB CCc1ncnc(N2C[C@@H]3CN(c4nccc(OC)n4)C[C@H]3C2)c1F 1888843053 MNYBERRXPTWVDG-VXGBXAGGSA-N 344.394 1.549 0 40 EDAB O=C(c1cnn2cccnc12)N1CCc2nc3ncccc3cc2C1 1890476823 DBKXRWKNBVKAJK-UHFFFAOYSA-N 330.351 1.871 0 40 EDAB O=C(CN1CCN(c2ccc(O)cc2)CC1)NCc1cccs1 21323828 AYGBKRUBXKLDMV-UHFFFAOYSA-N 331.441 1.892 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-n3cccn3)cc2)CC1 24571430 BSECMMKFFNDEBX-UHFFFAOYSA-N 348.428 1.482 0 40 EDAB Cc1ccc(-c2noc(CN3C(=O)N[C@@]4(CCSC4)C3=O)n2)cc1 25254599 HAVATTJPJFOEIZ-MRXNPFEDSA-N 344.396 1.973 0 40 EDAB Cc1ccc(CN2[C@@H](Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2CO)cc1 2037971278 SLDUTYMBSITLAM-ZGXWSNOMSA-N 327.424 1.505 0 40 EDAB Cc1nc(CN2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)cs1 2087127123 DGVPJJGWFBQOHZ-ZDUSSCGKSA-N 345.415 1.910 0 40 EDAB CC(=O)N1N=C(C)C[C@]12CC[C@@H]1CN(C(=O)CC3(O)CCC3)C[C@H]12 1565556225 ZJWZEEZTXOPIIO-RKVPGOIHSA-N 333.432 1.527 0 40 EDAB COc1ccc(CN2CCC[C@](C(=O)N(C)C)(n3cccn3)C2)cc1 2055771533 FQEFFBXTCGAVSY-IBGZPJMESA-N 342.443 1.971 0 40 EDAB Cc1ccccc1S(=O)(=O)N[C@H]1CCc2onc(CN(C)C)c2C1 2055732716 VIXCUPWTZUNOSN-ZDUSSCGKSA-N 349.456 1.880 0 40 EDAB O=C(NCc1ccco1)c1noc2c1C[C@H](Nc1ncccn1)CC2 2055772655 JZJQCYAEUZFYFY-LLVKDONJSA-N 339.355 1.957 0 40 EDAB Cc1cccc(C)c1NC(=O)C(=O)NCC1(N2CCOCC2)CCC1 1775973403 ANIUVRHIZWQZPF-UHFFFAOYSA-N 345.443 1.613 0 40 EDAB NC(=O)c1cc(C2CCN(C(=O)CSC3CCCC3)CC2)n[nH]1 225557667 PYCUFSIYNZZRQT-UHFFFAOYSA-N 336.461 1.890 0 40 EDAB Cn1cccc1-c1noc(CNC(=O)c2nn(C)c3ccccc23)n1 225767813 HMIXAHQGPJVMCM-UHFFFAOYSA-N 336.355 1.892 0 40 EDAB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1nnc(C(C)C)s1 71289051 OGFOFERYTFLADX-UHFFFAOYSA-N 347.404 1.272 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)CCc1nc(-c2cccnc2)no1 40082113 ZOPCZGMTXNLBQN-UHFFFAOYSA-N 345.403 1.437 0 40 EDAB O=C(NC1CCN(S(=O)(=O)N2CCCCCC2)CC1)C1CC1 30446314 KQZGXMYVPHPLCD-UHFFFAOYSA-N 329.466 1.098 0 40 EDAB CNC(=O)CN1CCC(NCc2ccccc2Br)CC1 30905528 JHVWNORWQKVXDA-UHFFFAOYSA-N 340.265 1.749 0 40 EDAB CC(C)n1ncc2cc(C(=O)NCCCN3CCOCC3)cnc21 40480577 WUQCTVKFHNSZPL-UHFFFAOYSA-N 331.420 1.464 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N2CCC(c3ccccc3)=N2)on1 40498742 UMBMHVCFBMEFBV-UHFFFAOYSA-N 347.396 1.534 0 40 EDAB COc1cccc(OCCNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 40501736 QYKKSAZQOZTYTI-CHWSQXEVSA-N 344.433 1.018 0 40 EDAB O=C(Cn1cccnc1=O)NCc1csc(Br)c1 40519969 RLCORFHJJXANHQ-UHFFFAOYSA-N 328.191 1.384 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCCN(C[C@H]2CCCO2)CC1 40505234 MILGJBLQJMOYKM-OAHLLOKOSA-N 332.400 1.742 0 40 EDAB Cc1ccc(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)cc1 40535259 PSNXWHTYMHQBDR-UHFFFAOYSA-N 326.462 1.714 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)cc1F 32407856 LQRJVPQGZWVATP-ZDUSSCGKSA-N 331.409 1.998 0 40 EDAB O=C(O)COc1ccc(S(=O)(=O)Nc2cccc3cn[nH]c23)cc1 32590088 QTYBXGPLLNVJSG-UHFFFAOYSA-N 347.352 1.827 0 40 EDAB Cc1nc(/C=C/C(=O)NS(=O)(=O)C[C@H]2CCCCO2)cs1 102140814 GVUXZGRDZMRIAO-BTDICHCPSA-N 330.431 1.480 0 40 EDAB CCc1cc(N2CCC(CN3CCOCC3)CC2)n2ncnc2n1 52326046 TULCCKNWDJEEJV-UHFFFAOYSA-N 330.436 1.235 0 40 EDAB CCN(CC)[C@H](C)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 41912871 KVPNBUICSSFYTL-OAHLLOKOSA-N 342.443 1.752 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)COc2ccc(C)c(C)c2)n1 568986 XMWCDXPURZTQMI-UHFFFAOYSA-N 348.432 1.592 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)N(CCC(=O)O)C2CC2)cc1 95351898 YFUKGUHPYSEBTJ-UHFFFAOYSA-N 340.401 1.016 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1N[C@@H](C)c1nnc(C)o1 78897103 JFLAHDSSYDQAQN-YUTCNCBUSA-N 344.481 1.867 0 40 EDAB CCS(=O)(=O)NCCN(C)[C@H]1CCCN(c2ccccc2)C1 79014128 SVJHDSZWDJDMNQ-INIZCTEOSA-N 325.478 1.527 0 40 EDAB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3ccccc3)s2)cc1 105630123 DJNRJIDPDLNKPB-WHYMJUELSA-N 337.400 1.937 0 40 EDAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCCC(N)=O 42924481 AJKSMPZOWLGOGM-MRVPVSSYSA-N 347.184 1.737 0 40 EDAB COCCn1cc(NC(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cn1 106567870 ZEBNAGQKZTYCCY-MCIONIFRSA-N 339.440 1.149 0 40 EDAB CN(C[C@@H]1CCCN1c1cccnn1)[C@@H](C(N)=O)c1ccc(F)cc1 106840388 AZRXWADXANYYSM-DOTOQJQBSA-N 343.406 1.743 0 40 EDAB COC(=O)NCC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 55721613 XCUXTMOXWLFUJZ-UHFFFAOYSA-N 328.372 1.333 0 40 EDAB CCN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)[C@H]1CC(=O)NC1=O 85994087 ZLGWSOBFIKVIHW-HVHJFMEUSA-N 338.367 1.149 0 40 EDAB CN(C)C(=O)c1ccccc1NCCn1nc2ccccn2c1=O 25744776 SMIFDIZZGNMKRX-UHFFFAOYSA-N 325.372 1.310 0 40 EDAB NC(=O)C1(CNC(=O)[C@H]2CCCO[C@H]2c2ccccc2)CCOCC1 57011290 SSDQHCATMKBRNI-HOTGVXAUSA-N 346.427 1.553 0 40 EDAB CC[C@H](C)NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3 1784843 OYXNCXGZHLFDIP-UWVGGRQHSA-N 334.445 1.893 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2ccnc2)cc1 48285930 AJIHTJDFBKITMU-GXTWGEPZSA-N 348.428 1.420 0 40 EDAB CC(=O)N[C@@H]1CCCN(CCCc2nnnn2-c2ccccc2)C1 57992099 BAXUSURXYMCZBC-OAHLLOKOSA-N 328.420 1.195 0 40 EDAB C[C@@H](NC(=O)N1CCC(NS(C)(=O)=O)CC1)c1ccc(F)cc1 27342019 SOZMOKFXFSQZKZ-LLVKDONJSA-N 343.424 1.610 0 40 EDAB C[C@@H](CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)N1CCOCC1 58078302 XMCYWQBAURBUAT-LBPRGKRZSA-N 329.441 1.127 0 40 EDAB NS(=O)(=O)c1cc(F)cc(NC(=O)Cc2ccccc2F)c1 58079596 NZTVLVOVLRADKE-UHFFFAOYSA-N 326.324 1.793 0 40 EDAB CCCCN(C)S(=O)(=O)NC[C@@H](c1ccco1)N1CCCC1 48286911 JCXKXISANYPGLC-AWEZNQCLSA-N 329.466 1.983 0 40 EDAB O=C1[C@@H](NS(=O)(=O)c2cccc(F)c2)CCN1Cc1ccccc1 58195253 PVUZZZLKVRTQFA-INIZCTEOSA-N 348.399 1.905 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Nc1cc(OC)c(OC)c(OC)c1 25424990 IDKBBDLFUAGZGZ-SECBINFHSA-N 325.365 1.359 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)Cn2ncc3cnn(C)c(=O)c32)c1 95438883 HAGURNJDQKKQNN-AWEZNQCLSA-N 328.372 1.187 0 40 EDAB CN(C)C(=O)Cn1cnc(NC(=O)CCc2ccc3[nH]ccc3c2)n1 95463098 XQLGBECMLPFHLM-UHFFFAOYSA-N 340.387 1.419 0 40 EDAB COCCNC(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 58214758 YQQOHGUEVNIHER-LSDHHAIUSA-N 343.383 1.023 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCOC2)c(Cl)c1 58282602 PNYAHHLUHLEGMC-SNVBAGLBSA-N 347.820 1.832 0 40 EDAB COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(C)CC2)cc1 20098538 MMEHLEYKIAOWSW-QGZVFWFLSA-N 344.463 1.675 0 40 EDAB O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1CCN2CCCC[C@H]12 44941774 FMSYMBOZPCRKAZ-ZIAGYGMSSA-N 329.400 1.728 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc2oc(=O)[nH]c2c1 44976608 KCNCYYKYKLWTGK-UHFFFAOYSA-N 338.385 1.807 0 40 EDAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCSCC1 44955009 OEAMENBVYOQIMF-CQSZACIVSA-N 335.408 1.480 0 40 EDAB Cc1cccc(OCCNC(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 44910287 KEIHYDDCDKRGOW-ZDUSSCGKSA-N 326.418 1.108 0 40 EDAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)N[C@H]1CCS(=O)(=O)C1 44966275 RLBYBXIGIDIFRR-ZDUSSCGKSA-N 334.401 1.063 0 40 EDAB CN(C)C(=O)c1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)cc1 12767202 JXNQRGVWMJGJAH-KRWDZBQOSA-N 340.379 1.845 0 40 EDAB COC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1nn(C)cc1C)n2C 101338077 OBIJKHOZSWYIQB-WUKNDPDISA-N 344.396 1.809 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)Nc1ccc(-n2cncn2)c(F)c1 62412670 FETZPEXFHOMAOM-NSHDSACASA-N 348.382 1.833 0 40 EDAB C[C@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1cccc(F)c1 48311134 YWKGUKNATRHWMY-SMDDNHRTSA-N 343.424 1.610 0 40 EDAB CCCOc1ccccc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 48332656 ZZRQCVHWMPDZNQ-GFCCVEGCSA-N 327.402 1.158 0 40 EDAB CCS(=O)(=O)N1CC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1 107226249 MGGITQHXIFGGHE-BXUZGUMPSA-N 329.397 1.216 0 40 EDAB CCNC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113941248 XKFRTPQCXANIAI-VIFPVBQESA-N 334.825 1.639 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2cc3c(F)cccc3s2)CC1 46448883 NLNFOIGTIGSHLF-UHFFFAOYSA-N 349.431 1.981 0 40 EDAB CCOc1nncn1-c1sc2c(c1[C@@H]1NC=NN1)CC[C@H](C)C2 26895447 JRVPASDFIGOFFL-TVQRCGJNSA-N 332.433 1.987 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 46879815 ZEINGOKHNYDQRX-HZPDHXFCSA-N 344.459 1.278 0 40 EDAB CCC[C@@H]1NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 13039127 UWIHZHJLNDEUTN-CABCVRRESA-N 329.400 1.901 0 40 EDAB COc1cccc([C@H](NC(=O)N2CCOC[C@H]2C)c2nccn2C)c1 65390767 IKHJUQOQCYFNSW-CJNGLKHVSA-N 344.415 1.948 0 40 EDAB COC(=O)C(C)(C)NC(=O)c1nnn(-c2cccc(OC)c2)c1C 65407603 WRFJWUHAEJSIGJ-UHFFFAOYSA-N 332.360 1.266 0 40 EDAB O=C(NCc1ccncc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6347012 ZCILBTLRRLHOON-UHFFFAOYSA-N 345.424 1.796 0 40 EDAB Cc1cccc(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 219017432 WYNVGVWKTZUOSY-IYBDPMFKSA-N 326.396 1.953 0 40 EDAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NCc1ccco1 14122944 DPHSBFAYVVYKOF-AWEZNQCLSA-N 327.340 1.059 0 40 EDAB COCC(=O)Nc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 66159015 USAKNPKGVIITKZ-MRXNPFEDSA-N 346.431 1.974 0 40 EDAB CC(=O)Nc1ccccc1NC(C)=C1C(=O)N(C)C(=O)N(C)C1=O 6613268 VBDLDGPGRZQMOU-UHFFFAOYSA-N 330.344 1.381 0 40 EDAB CC/C(NC[C@H]1CCCO1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 5625194 AYNKLWZMSZIXKX-LTOKCNDWSA-N 343.383 1.702 0 40 EDAB Nc1nnc(SCC(=O)NC[C@H]2COc3ccccc3O2)s1 7128756 VYARHGXGMAIOGB-QMMMGPOBSA-N 338.414 1.169 0 40 EDAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@@H]2CCCO2)C1=O 7501628 JIUXHIVEPPUKTL-SJCJKPOMSA-N 332.356 1.404 0 40 EDAB NC(=O)C1CCN(C(=O)NCC2(c3ccccc3)CCOCC2)CC1 71798634 KJMAZTDLOLSMOI-UHFFFAOYSA-N 345.443 1.642 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCN(C)c2ccccc2C1 69089759 ZTKMNNQHPLHLDE-UHFFFAOYSA-N 327.432 1.927 0 40 EDAB CCNc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1Cl 81679670 UKZIPCDEZONPCG-UHFFFAOYSA-N 332.857 1.493 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3F)c2)CC1 70008331 JWWBFESIDVZHLK-HNNXBMFYSA-N 346.406 1.540 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cccc4ncccc34)CC2)n1 69351972 VROBZOFMPVFMBV-UHFFFAOYSA-N 349.394 1.996 0 40 EDAB COc1cccc(S(=O)(=O)CCN2CCCN(C(C)=O)CC2)c1 69349743 SWRDAECGCYHPRF-UHFFFAOYSA-N 340.445 1.023 0 40 EDAB Cc1noc([C@@H](C)N2CCN(Cc3nnc(-c4ccco4)o3)CC2)n1 69415349 WARGXFNLRSEDOF-LLVKDONJSA-N 344.375 1.900 0 40 EDAB COc1ccc(OC)c(-n2nnnc2SCc2noc(C)n2)c1 69414118 YDQWQPPJAVUHHP-UHFFFAOYSA-N 334.361 1.663 0 40 EDAB CCC(=O)N1CCCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 71817071 FGAZHZWOCISTPT-UHFFFAOYSA-N 328.416 1.410 0 40 EDAB Cc1cc(-c2nnn(CCCN3C(=O)NC(C)(C)C3=O)n2)ccc1F 71839279 ISDUKYMXJOSGGZ-UHFFFAOYSA-N 346.366 1.508 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN([C@H](C)c3nc(C)no3)CC2)n1 69515360 YVZWVSDQJVFURC-GFCCVEGCSA-N 331.424 1.426 0 40 EDAB CO[C@H]1CCCN(C(=O)NCc2cccc(NC(=O)CN(C)C)c2)C1 69561764 IBKQPBYUWVBESI-INIZCTEOSA-N 348.447 1.507 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)cn1 69594426 PLTLXHJZJLNVMZ-OAHLLOKOSA-N 347.415 1.332 0 40 EDAB COc1ccc([C@@H]2CCN(c3ncc(S(N)(=O)=O)s3)C2)cc1 69509419 NASMCBBPFQMWCW-LLVKDONJSA-N 339.442 1.793 0 40 EDAB Cc1cccc(OCCNC(=O)CN2CCC[C@H]2Cn2cccn2)c1 71875484 SFADCRZJNAPEEF-KRWDZBQOSA-N 342.443 1.851 0 40 EDAB CCOCCN1CCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@H]1C 71864796 MTCZQJGPDCUIOC-XLAORIBOSA-N 339.524 1.970 0 40 EDAB CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)c1cccnc1 69652004 KGWMBSHYDVOPQV-CQSZACIVSA-N 331.397 1.848 0 40 EDAB CCc1nc2n(n1)C[C@H](NCC(=O)Nc1ccc(Cl)cn1)CC2 69621178 NONGFURGSFRVTO-LLVKDONJSA-N 334.811 1.432 0 40 EDAB NC(=O)[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)c2ccccc21 69653795 KDWWAZWXMXQSIH-AWEZNQCLSA-N 348.362 1.012 0 40 EDAB O=c1n(CNC2(c3ccc(F)cc3)CCOCC2)nc2ccccn12 71886816 NHQNQGZSYSIPIZ-UHFFFAOYSA-N 342.374 1.888 0 40 EDAB CCCCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 20450335 ILBHOSVGLVWNRV-UHFFFAOYSA-N 345.440 1.745 0 40 EDAB CCNC(=O)CN(CC)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 69895580 KEEGSGQOZTXYNV-ZDUSSCGKSA-N 341.477 1.063 0 40 EDAB COCCN1CCN(Cc2csc(-c3ncccn3)n2)C[C@H]1C 69818907 LYSBCTCHCTXBPJ-CYBMUJFWSA-N 333.461 1.753 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1 69968825 CLZMYXGAZGGBMU-INIZCTEOSA-N 346.406 1.540 0 40 EDAB O=C1NCc2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc21 69921161 UPSHAGIBDRBJAX-GFCCVEGCSA-N 327.384 1.660 0 40 EDAB CC(C)c1n[nH]c(SCC(=O)NC(=O)NCC(F)(F)F)n1 9952541 REKKNHSOISFRGL-UHFFFAOYSA-N 325.316 1.408 0 40 EDAB CCN(C)C(=O)[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(C)C 72072760 XGDUTMZUDWCDGD-AWEZNQCLSA-N 328.434 1.476 0 40 EDAB O=S(=O)(CCN[C@@H]1CCCc2cc(F)ccc21)N1CCOCC1 97033399 CXRSQAKJUJDHIN-MRXNPFEDSA-N 342.436 1.455 0 40 EDAB C[C@@]1(C(=O)N2CCC[C@@H](n3cncn3)C2)Cc2ccccc2C(=O)O1 72234804 PWSPOQPLUBODLC-KDOFPFPSSA-N 340.383 1.613 0 40 EDAB CCOc1ccc2cc(C(=O)N[C@@H](CC(=O)OC)C(=O)OC)[nH]c2c1 72272747 JBGXVXADIINQCU-AWEZNQCLSA-N 348.355 1.401 0 40 EDAB CC[C@H]1CN(CC(=O)NCc2ccc(OC)cc2)CCN1C[C@@H](C)O 72279696 RHYFBDFSTHMAJL-WBVHZDCISA-N 349.475 1.088 0 40 EDAB C[C@H](NC[C@H](O)CN1CCc2ccccc2C1)[C@H](C)n1cccn1 72269895 SYMGGIRTUUNZCJ-BXWFABGCSA-N 328.460 1.841 0 40 EDAB Cc1ccc(N2CC[C@@H](C(=O)N[C@@H]3CCc4nccn4C3)C2=O)cc1 72278694 NQKAZSXSUQALNP-ZBFHGGJFSA-N 338.411 1.676 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N1CCC(COc2ccccn2)CC1 72308565 WTZPUKLNEYXKJZ-ZDUSSCGKSA-N 334.420 1.407 0 40 EDAB CCC1(CNC(=O)NCCNc2ncnc3c2cnn3C)CCC1 84437406 NLFWHZHCHAMATR-UHFFFAOYSA-N 331.424 1.655 0 40 EDAB Cc1cc(C)c(CNC(=O)N[C@H](C)c2c(C)nn(C)c2C)c(=O)[nH]1 75124730 XREIJNSJUVHNOI-LLVKDONJSA-N 331.420 1.902 0 40 EDAB Cn1cc(CCC(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)cn1 89905172 NPTRJSMMHZQFOK-INIZCTEOSA-N 334.807 1.523 0 40 EDAB C[S@@](=O)Cc1cccc(C(=O)NCCc2nnc3n2CCC3)c1 75846955 SYIWISAGJURTST-QHCPKHFHSA-N 332.429 1.075 0 40 EDAB CCCNC(=O)COc1ccc(S(=O)(=O)NCCC)cc1C 408616629 ALEFTANHOGLBOP-UHFFFAOYSA-N 328.434 1.588 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCn4ncnc4C3)cc2)n1 547782589 QUHHNRGHGDLDBI-UHFFFAOYSA-N 336.399 1.796 0 40 EDAB CCN(CC(=O)O)C1CC(NC(=O)c2cccc3ncccc23)C1 548354212 XVUXRHJEEYEMPG-UHFFFAOYSA-N 327.384 1.902 0 40 EDAB CC(C)n1cc(CN2CCN(c3nccn4ccnc34)CC2)cn1 306128306 GWTMQVJZWUYIEH-UHFFFAOYSA-N 325.420 1.829 0 40 EDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCc2ccccc2)cc1 408591652 IXSVUXQFQNWCEA-CYBMUJFWSA-N 348.424 1.678 0 40 EDAB OC[C@@H]1CCC2(CCOCC2)CN1Cc1nc(CC(F)(F)F)no1 528637890 HJCKHCGJGUQPNI-NSHDSACASA-N 349.353 1.928 0 40 EDAB CCC(=O)C1(C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CC1 556130081 MCOGZNMTPUBDRD-CQSZACIVSA-N 349.475 1.337 0 40 EDAB CC(C)c1cccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)c1 32858316 AREZPDKDTFSAAG-UHFFFAOYSA-N 329.356 1.702 0 40 EDAB O=C(CN(Cc1cn2ccsc2n1)C[C@H]1CCCO1)N1CCCC1 76048714 SJJJIESMNBNVBT-OAHLLOKOSA-N 348.472 1.999 0 40 EDAB Cc1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)nc2)ccc1F 78555026 SXCOTQRKCJQLTD-UHFFFAOYSA-N 344.389 1.733 0 40 EDAB CC(C)n1cc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)nn1 552527544 ADXVQFCOMAEZRZ-HNNXBMFYSA-N 341.415 1.524 0 40 EDAB CCn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)cn1 72241544 AESAGJQBYOHMLP-HZPDHXFCSA-N 346.362 1.579 0 40 EDAB Cc1cc(Nc2nncs2)nc(C2CN(c3ncccn3)C2)n1 72382565 RJZQGDFALLJCHB-UHFFFAOYSA-N 326.389 1.774 0 40 EDAB Cc1cc(C(=O)N2CCN(C(C)C)CC2)nc(C2CCN(C)CC2)n1 72369345 RDKIPMHBRCSBBW-UHFFFAOYSA-N 345.491 1.760 0 40 EDAB CCc1ccc(OCC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 78986938 YEBKXPXREJKLCO-CYBMUJFWSA-N 344.333 1.907 0 40 EDAB O=C(COc1ccccc1)NCC(=O)N1CCC[C@@]2(CCOC2)C1 562636369 BCZRYJNPIZSZDQ-GOSISDBHSA-N 332.400 1.211 0 40 EDAB Cc1ccc(F)c(CN(C)S(=O)(=O)N2CCC(C(=O)O)CC2)c1 563069529 RQFCBLPRJAIHHM-UHFFFAOYSA-N 344.408 1.607 0 40 EDAB NC(=O)c1cc(NC(=O)C(=O)NCc2ccccc2F)ccc1F 48702151 GDUGPUBNBICHFB-UHFFFAOYSA-N 333.294 1.319 0 40 EDAB O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1cccc(F)c1 75162133 GFRZRRKXZUDGKI-UHFFFAOYSA-N 338.364 1.253 0 40 EDAB Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@@H]1c1ncc[nH]1 568191410 HBELYOBYFYOHIC-CYBMUJFWSA-N 349.416 1.128 0 40 EDAB CC1(N2CCOCC2)CCN(C(=O)c2ccnn2C(F)F)CC1 529909075 LCIKSGDJJKESTH-UHFFFAOYSA-N 328.363 1.605 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 223275749 QRDBTRKFZYURNT-UHFFFAOYSA-N 338.360 1.751 0 40 EDAB O=C(NCC[C@H](O)c1cccc(Cl)c1)C(=O)Nc1cccnc1 225612689 YPDAVTKZIMKFPJ-AWEZNQCLSA-N 333.775 1.913 0 40 EDAB CN(C)[C@@H]1CCCN(C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)C1 195552311 PHOACNNULHLSOT-NVXWUHKLSA-N 340.489 1.324 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1 198482985 GTVNOLFEYFPBFB-LLVKDONJSA-N 328.434 1.667 0 40 EDAB CCS(=O)(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 96239699 KKSAZTYOIUTDAM-CYBMUJFWSA-N 346.403 1.364 0 40 EDAB CS(=O)(=O)CCNC(=O)N(Cc1ccccc1F)C1CCC1 96466910 SIKWWMCSDDYOKE-UHFFFAOYSA-N 328.409 1.934 0 40 EDAB O=C([C@@H]1CCOC1)N1CCCn2nnc(COc3ccccn3)c2C1 96084391 FFBCYGRKAGNAHX-CYBMUJFWSA-N 343.387 1.021 0 40 EDAB COCC(=O)N[C@@H]1COCCC12CCN(Cc1ccc(C)o1)CC2 96219138 HPAZKEOHBKDXTQ-MRXNPFEDSA-N 336.432 1.722 0 40 EDAB COCc1nnc(NC(=O)c2cnc3sc(C)cn3c2=O)s1 95474012 PHKLOOXTNGNVCG-UHFFFAOYSA-N 337.386 1.315 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccccc3Cl)C2)cn1 96410794 YVQUNTAPDANDSQ-NSHDSACASA-N 347.806 1.407 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21 96038897 YXACEVCMEPDQMW-RRFJBIMHSA-N 347.440 1.889 0 40 EDAB O=C(CN1CCNC[C@H]1C(F)F)NCCc1cccc2cccnc12 579958628 LQNDDWDJHCQOET-HNNXBMFYSA-N 348.397 1.432 0 40 EDAB CON1CCC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 585130304 MRPJMILYTDZKDZ-INIZCTEOSA-N 332.448 1.436 0 40 EDAB CN(C)C(=O)COC[C@H]1COCCC12CCN(c1ncccn1)CC2 96206534 ZEYWDJAWRPCPNZ-OAHLLOKOSA-N 348.447 1.205 0 40 EDAB C[C@@H]1C[C@@H](NC(=O)CNCC(F)(F)F)C(=O)N1c1ccccc1 96426788 DPYZVCNFMAOSSA-ZYHUDNBSSA-N 329.322 1.449 0 40 EDAB O=C(c1ccc[nH]1)N1C[C@H]2OCC(=O)N(Cc3cccc(F)c3)[C@@H]2C1 96081652 MKENSBIJUWIHPK-HZPDHXFCSA-N 343.358 1.406 0 40 EDAB Cc1ccc(Nc2ccccc2C(=O)N2CC[C@@](O)(C(N)=O)C2)cc1 585082060 WMHGXJJRZFURII-IBGZPJMESA-N 339.395 1.801 0 40 EDAB c1ccc(CN2CCOC[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 96229301 YVAOOHIXGZPCFQ-IBGZPJMESA-N 339.443 1.991 0 40 EDAB C[C@]1(c2cnccn2)NC(=O)N(CCC(=O)Nc2ccccc2)C1=O 252508346 XKSVVFABQPSAMG-QGZVFWFLSA-N 339.355 1.272 0 40 EDAB COCC(=O)N1CCC[C@@H](c2cc(-c3cc(C)n[nH]3)nc(C)n2)C1 257234237 GSSAEAOMLBKDAT-CYBMUJFWSA-N 329.404 1.836 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)n1 257284931 PEXISIJFYNWMFH-HNNXBMFYSA-N 338.371 1.578 0 40 EDAB Cc1cncc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)c1 257326785 WYOLGEXKTJNPRP-INIZCTEOSA-N 326.400 1.962 0 40 EDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21 253489941 GXVMMNQYVGFMHT-AWEZNQCLSA-N 338.433 1.362 0 40 EDAB O=C(N[C@H]1CCCNC1=O)c1ccc(Cc2ccccc2F)nc1 257247918 JBEABJRJRDKYNX-INIZCTEOSA-N 327.359 1.820 0 40 EDAB CCn1nccc1-c1nccnc1C[C@@H]1CCN(S(C)(=O)=O)C1 257281121 ONSLSVLMCUZBRO-LBPRGKRZSA-N 335.433 1.184 0 40 EDAB Cc1ncc(-c2cccc([C@H]3CCCN3S(=O)(=O)N(C)C)n2)n1C 257316616 VGINFAASFDYRSR-OAHLLOKOSA-N 349.460 1.734 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)s1 260790531 CPBVWJRXOQYWNM-XHNCKOQMSA-N 330.435 1.354 0 40 EDAB O=C(O)C[C@@]1(NS(=O)(=O)c2cc(Cl)ccc2F)CCOC1 1608689033 FXLGQFNJXODJGL-LBPRGKRZSA-N 337.756 1.391 0 40 EDAB Cc1cc(F)ccc1CCNC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 280547869 ZXEDMZFWOXRQAQ-IBGZPJMESA-N 346.402 1.714 0 40 EDAB COCC[C@@H](CO)NC(=O)[C@H]1CCC=CN1C(=O)OC(C)(C)C 1615549135 KNORYIZZRKFRNH-QWHCGFSZSA-N 328.409 1.413 0 40 EDAB CCC(=O)NC1CCN(S(=O)(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 1616053179 DZAHDLCGSHWIEJ-HZPDHXFCSA-N 336.457 1.863 0 40 EDAB CC1(C)CCC[C@H]1C(=O)NCCc1nnc2c(=O)n(C3CC3)ccn12 1616032076 IFBLBGMWNMSWSA-ZDUSSCGKSA-N 343.431 1.711 0 40 EDAB O[C@@H]1[C@H](O)COC[C@H]1CNCc1cc(F)ccc1Br 585285377 BNZYWJGOOFFPFP-WQAKAFBOSA-N 334.185 1.046 0 40 EDAB CCc1n[nH]cc1C(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 585275989 CSCLRKQTKDMLPO-GOSISDBHSA-N 329.400 1.418 0 40 EDAB CO[C@@]1(COc2cccc(F)c2)CCN(C(=O)Cn2ccnc2)C1 585277239 NQIMYXUQBQGEPH-KRWDZBQOSA-N 333.363 1.719 0 40 EDAB NC(=O)[C@@H]1CC(C(=O)N=c2[nH]c3ccccc3[nH]2)=NN1c1ccccc1 29402260 YOONKPMFSMMRBI-HNNXBMFYSA-N 348.366 1.044 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCOc3ccccc32)o1 31578781 SSBKCZQFXUZGGE-NSHDSACASA-N 336.369 1.441 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)CCN[C@H]2CCc3ncnn3C2)c1 69568992 HMIDFBPZTXGGMI-AWEZNQCLSA-N 334.445 1.273 0 40 EDAB COc1ccc([C@H](O)CNC(=O)NCC[S@](=O)C(C)(C)C)cc1 70009113 ILAJIQCYQWHXSE-QKFKETGDSA-N 342.461 1.575 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(F)cc2)[nH]n1 44227282 PONBICOLTPVQOI-JTQLQIEISA-N 337.376 1.380 0 40 EDAB COc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)cn1 37238671 WBUHVWOXYXZYSC-UHFFFAOYSA-N 328.371 1.959 0 40 EDAB O=C(Nc1nc(CN2CCOCC2)cs1)[C@H]1Cc2ccccc2O1 51866352 CKFNWJYSNVXFJC-OAHLLOKOSA-N 345.424 1.918 0 40 EDAB 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C[C@@H](CC(=O)N1CCCCCC1)NCC1(N(C)C)CCOCC1 95968017 OTSRUKPAZNVSOJ-INIZCTEOSA-N 325.497 1.868 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@H](C)c1ccc3c(c1)OCCO3)C2 69843239 SRCHTSBJUVVJQW-GFCCVEGCSA-N 342.399 1.758 0 40 EDAB CCCCc1nc(CN2CCC[C@@H](CNS(N)(=O)=O)C2)cs1 69872520 HWCPTIOGVYUZPH-LBPRGKRZSA-N 346.522 1.491 0 40 EDAB COCCS(=O)(=O)Nc1cccc(C)c1C(=O)N1CCCC1 69845362 JMODUMQIIWHZCM-UHFFFAOYSA-N 326.418 1.619 0 40 EDAB COCCN1CCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 69951655 OJGBFJSRELYIEU-CQSZACIVSA-N 339.867 1.609 0 40 EDAB CCCc1cc(C(=O)N2CCCN(Cc3nccn3C)CC2)[nH]n1 69919586 HIONAQJNEOONTN-UHFFFAOYSA-N 330.436 1.444 0 40 EDAB CCNC(=O)CNC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 8921925 DOAYDJWGASAMFE-UHFFFAOYSA-N 348.790 1.060 0 40 EDAB O=C([C@@H]1CCCN(c2nccs2)C1)N1CCC[C@H](n2cncn2)C1 72235103 CUEVPAWEIDAESO-KGLIPLIRSA-N 346.460 1.815 0 40 EDAB CNc1cc(N2CCC[C@H]2CNc2ncnc3c2CCC3)ncn1 72276296 OTPPYCMTYSYRCI-LBPRGKRZSA-N 325.420 1.878 0 40 EDAB Cc1csc(NC(=O)CN2CCC[C@H]2Cn2nc(C)nc2C)n1 72253261 KCJQVXXNKYPORN-ZDUSSCGKSA-N 334.449 1.763 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H](c2ccccc2)O1 72289324 QSOHOQUSBPYBFT-GXTWGEPZSA-N 345.399 1.305 0 40 EDAB CCS(=O)(=O)c1cccc(Cc2nc(Cc3noc(C)n3)no2)c1 97141565 CKFZHSRJXLCFSB-UHFFFAOYSA-N 348.384 1.736 0 40 EDAB O=C(Nc1nnn[nH]1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 75127161 XEFVFAIQRLUSRY-UHFFFAOYSA-N 327.323 1.656 0 40 EDAB CCc1ocnc1C(=O)N1CCN(C(=O)c2ncoc2CC)[C@@H](C)C1 75178740 ANDQJYDMYBTZFX-NSHDSACASA-N 346.387 1.774 0 40 EDAB Cc1nnc(CN(C)[C@H]2CCN(Cc3nnsc3Cl)C2)n1C 89736016 YHBQAXUYSVDDHE-JTQLQIEISA-N 341.872 1.335 0 40 EDAB O=C(CN1CCN(C(=O)C2(c3cccc(F)c3)CC2)CC1)NC1CC1 89774760 OOQCTJAVMCWXFM-UHFFFAOYSA-N 345.418 1.280 0 40 EDAB CC(C)(CNC(=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1)NS(C)(=O)=O 89761757 GFMXGYYRSGWYEF-CHWSQXEVSA-N 343.424 1.309 0 40 EDAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(Br)c[nH]2)C1 76019629 IQJYWKJLSBXATM-ZJUUUORDSA-N 349.250 1.863 0 40 EDAB CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CC(O)=NC1=O 64219697 LBFLUNOPOCZVDE-VHSXEESVSA-N 328.365 1.869 0 40 EDAB C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(F)c(F)c(O)c1F 183617104 GJWXTTLWWMNQBM-RNFRBKRXSA-N 339.335 1.703 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC(c3csc(N)n3)CC2)c1 72368837 OMUDRCJWOXFMLX-UHFFFAOYSA-N 327.435 1.027 0 40 EDAB CN1CCCC[C@@]1(C)C(=O)N1CCC(Cn2cc(C(N)=O)cn2)CC1 72367361 XPCGEJMDLZDZKK-SFHVURJKSA-N 347.463 1.095 0 40 EDAB NC(=O)C1(CCCc2cnccn2)CCN(Cc2cccnc2)CC1 72367243 MNYHWEMJNDAYMD-UHFFFAOYSA-N 339.443 1.962 0 40 EDAB CC[C@@H](CO)N(C(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 217371696 ZLIYXNTWWXQDLL-UONOGXRCSA-N 345.848 1.740 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1 217562946 LUCUMSPKGPJKOI-GHMZBOCLSA-N 344.433 1.908 0 40 EDAB CCN(C(=O)N[C@@H](C)Cn1nc(C)cc1C)[C@H](C)CS(C)(=O)=O 79036186 RBGQTJNXCCCTJM-GXTWGEPZSA-N 344.481 1.353 0 40 EDAB Cc1ccn(-c2ccccc2C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)n1 562553870 DHHMPIGLBIAIEW-QAPCUYQASA-N 338.411 1.968 0 40 EDAB CN(C)c1n[nH]c(C2CCN(C(=O)COCc3ccccc3)CC2)n1 562766834 BIBDZMCDPFCWJO-UHFFFAOYSA-N 343.431 1.794 0 40 EDAB CS(=O)(=O)N(Cc1noc(CCC(=O)O)n1)c1ccc(F)cc1 78400928 VQVABLVMQFKRNN-UHFFFAOYSA-N 343.336 1.192 0 40 EDAB O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](c1ccccc1)c1cccs1 40476608 OUWPXDKNURKTCZ-SWLSCSKDSA-N 343.408 1.942 0 40 EDAB Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1OCCc3ccccc31)CC2 576707906 AMSZZSISPCPJRN-NHYWBVRUSA-N 329.425 2.013 0 40 EDAB COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2sccc2C)C1 190832399 QMHJRNUQMKAXKW-AWEZNQCLSA-N 346.518 1.929 0 40 EDAB O=C(c1sccc1-n1ccnn1)N1CCC[C@H](c2nc(O)n[nH]2)C1 571763199 DBIWPEMHMRVGPD-VIFPVBQESA-N 345.388 1.172 0 40 EDAB CC(=O)Nc1cccc(C(=O)N[C@H]2CCc3n[nH]c(=O)cc3C2)c1 225786796 IQECTICTCNJDOC-AWEZNQCLSA-N 326.356 1.016 0 40 EDAB CCC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)c1 573318609 HEVLBIKSMFEFLG-GFCCVEGCSA-N 334.401 1.576 0 40 EDAB CN(C)C(=O)NCCOc1ccc(I)cc1 225752584 STHMATIPUHCGAS-UHFFFAOYSA-N 334.157 1.941 0 40 EDAB O=C(O)C[C@H](NS(=O)(=O)c1csc2ccccc12)C(=O)O 574829510 GLCQQEMVDRTOOD-QMMMGPOBSA-N 329.355 1.108 0 40 EDAB CC(=O)N1CCC2(CC1)C(=O)Nc1ccc(C(=O)NC(C)C)cc12 96078971 RBSBGYVXRAKWSE-UHFFFAOYSA-N 329.400 1.657 0 40 EDAB CN(C)C(=O)N1CCC2(CC1)C[C@@H](OCC1CCOCC1)CO2 96206303 BOHGRRRTAGEMFU-OAHLLOKOSA-N 326.437 1.735 0 40 EDAB Cc1cc(O)cc(=O)n1CC(=O)Nc1ccc2c(c1)OCCCO2 96231116 RYDLXFQBOBNUCN-UHFFFAOYSA-N 330.340 1.662 0 40 EDAB CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccco1)C2 96060850 UYAKZDNGXMQSHO-CQSZACIVSA-N 333.436 1.569 0 40 EDAB O=C1C[C@H](C(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)N1 585128020 PTAZCBAAWVAMSO-GFCCVEGCSA-N 335.816 1.892 0 40 EDAB O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 583325686 VWYLCYZJAKCAPB-GBJTYRQASA-N 349.431 1.378 0 40 EDAB O=c1cc(Cn2cncn2)nc2n1CCCN(Cc1ccsc1)C2 96059614 FJKJBWJPVIGDQU-UHFFFAOYSA-N 342.428 1.351 0 40 EDAB CC(=O)N1CC[C@H](c2nnc3ccc(C(=O)NCC4CC4)cn23)C1 96267690 MBJJJYYICMQCFO-ZDUSSCGKSA-N 327.388 1.205 0 40 EDAB CN1C[C@@H](NC(=O)c2ccc3nncn3c2)CC[C@H]1C(F)(F)F 583620034 LICKBDIDDXCFLY-QWRGUYRKSA-N 327.310 1.484 0 40 EDAB NC(=O)CN1CCC(C(=O)N2CCC(c3cccc(O)c3)CC2)CC1 91305554 GWOHBAUIWAVPJC-UHFFFAOYSA-N 345.443 1.296 0 40 EDAB O=C(Cn1cc(C2CC2)nn1)N1CCC[C@](CO)(c2ccccc2)C1 585080060 DOLDNHKWVXWGGF-IBGZPJMESA-N 340.427 1.708 0 40 EDAB Cn1cc(CN2CCC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cn1 96048500 QDFZTUHMSIBKAD-RDJZCZTQSA-N 346.410 1.585 0 40 EDAB C[C@H]1CN(Cc2ccccc2CNC(=O)Cn2ccnn2)C[C@@H](C)O1 96454917 BDQYCPLLRLONGK-GASCZTMLSA-N 343.431 1.204 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@@H]2CCN(Cc3ccoc3)CC[C@H]21 96249481 HHJDPSPTYHJBCN-HZPDHXFCSA-N 340.445 1.437 0 40 EDAB COCCNC(=O)Cn1nc(-c2ccc(SC)cc2)ccc1=O 94993073 WYBDQJRDUWLKHU-UHFFFAOYSA-N 333.413 1.395 0 40 EDAB C[C@H](Cc1ccc(F)cc1)NC1CCN(CCS(C)(=O)=O)CC1 96477408 HLCOOIMPYIIWGE-CQSZACIVSA-N 342.480 1.855 0 40 EDAB Cc1ccc(Cn2cccc(NC(=O)[C@H]3CN(C)CCO3)c2=O)cc1 96484079 DDEWQZULJNBIDT-QGZVFWFLSA-N 341.411 1.474 0 40 EDAB O=C(N[C@H]1CCN(CC(F)(F)F)C1)N1CCOC2(CCCC2)C1 96477228 STICMTNOGWLEOR-LBPRGKRZSA-N 335.370 1.978 0 40 EDAB Cn1cc(C(=O)N2CC3(C2)OCC[C@@H]3COc2cccnc2)cn1 248163453 YSIRVGPMPKBZTD-CQSZACIVSA-N 328.372 1.125 0 40 EDAB CCc1cnccc1C(=O)N1C[C@@H](COC)[C@H](c2cnn(C)c2)C1 585655711 RNHYKGXPYUZDBL-RDJZCZTQSA-N 328.416 1.880 0 40 EDAB O=C(Cc1cccs1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257246943 IWRGZHNKCPNPSC-CYBMUJFWSA-N 333.413 1.646 0 40 EDAB Cc1ccccc1OCC(=O)NCCn1ccc(-c2cnccn2)n1 253472666 OEJWFCQROCIFGZ-UHFFFAOYSA-N 337.383 1.844 0 40 EDAB O=C(NCCNc1cc(Nc2ccccn2)ncn1)c1cccnc1 85472235 UWCXEXJAOXXHRG-UHFFFAOYSA-N 335.371 1.852 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@@H](CCc3ccncn3)C2)cs1 257289337 PYESZFBXVHYYSH-HNNXBMFYSA-N 332.429 1.644 0 40 EDAB CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccnn2C(C)C)c1 257288934 PWHSTRIRFOTDRL-GOSISDBHSA-N 341.459 1.970 0 40 EDAB CN(C)Cc1cnn(-c2ccccc2C(=O)NCc2ccnn2C)c1 257311711 UKRRPCWTBRIFIM-UHFFFAOYSA-N 338.415 1.597 0 40 EDAB Cc1cc(CC2CCN(C(=O)c3cnc(O)nc3O)CC2)ccn1 257273092 NFFOQTFDLNDXHA-UHFFFAOYSA-N 328.372 1.686 0 40 EDAB CCNc1nc(C)c(C(=O)N2CCC[C@@](O)(CN(C)C)CC2)s1 257335797 YLXVZOGHARFBTM-INIZCTEOSA-N 340.493 1.802 0 40 EDAB COc1ncccc1CNC(=O)c1ccnc(OC2CCOCC2)c1 253404694 RJEZVMZFPPSRGB-UHFFFAOYSA-N 343.383 1.973 0 40 EDAB CCn1nccc1-c1cnc([C@H]2CCCN(C(=O)COC)C2)cn1 257249208 JHHJVEYIKGJGKO-ZDUSSCGKSA-N 329.404 1.712 0 40 EDAB Cn1ncc(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(Br)c1=O 252486227 GTUXURLTXVQVLX-WHGOUJPWSA-N 328.210 1.768 0 40 EDAB C[C@H]1CCN(C(=O)[C@H](O)c2ccccc2Cl)CCS1(=O)=O 277364907 VDJQACOPYZHAIK-GXFFZTMASA-N 331.821 1.409 0 40 EDAB Cc1cccnc1CCNC(=O)CN1CCCC2(CC2)S1(=O)=O 1615613113 RFNSOTWHEVMPBE-UHFFFAOYSA-N 337.445 1.007 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 390835066 CAUVTNHAGIJGGM-IUODEOHRSA-N 340.420 1.813 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2cccs2)C1 575406016 WQOSCJWVAKVRRW-KCPJHIHWSA-N 344.440 1.800 0 40 EDAB CC(C)CCC(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 575405851 VGBSGNVCRUDIJE-BZUAXINKSA-N 346.431 1.116 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2cnsn2)CC1 585148786 IFHVIYAGYSZVSW-CYBMUJFWSA-N 332.385 1.027 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 585108781 DALPUIASXXXJPM-HRCADAONSA-N 328.372 1.394 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)Cc2ccccc2F)Cc2cccn2C1 585099122 NMQPLVSXGGTKSD-CQSZACIVSA-N 343.402 1.964 0 40 EDAB O=C(/C=C/c1cnc[nH]1)N1CCO[C@@](CO)(Cc2ccccc2)C1 585289013 MGSNINRJZNIMCP-DKFQHHCZSA-N 327.384 1.256 0 40 EDAB CN(CCN1CCOCC1)C(=O)Nc1nnc(C(C)(C)C)s1 67547699 OAHGNUZWZGBMEU-UHFFFAOYSA-N 327.454 1.632 0 40 EDAB COCC(=O)Nc1ccc(NC(=O)NCCC(=O)N2CCCC2)cc1 69350685 KSHQSDFPNGFSNY-UHFFFAOYSA-N 348.403 1.406 0 40 EDAB O=c1ccc2cc(S(=O)(=O)N(CCO)c3ccccc3)ccc2o1 31647833 ABMWOURBWPKJLK-UHFFFAOYSA-N 345.376 1.981 0 40 EDAB CN(C)C[C@H]1CN(C[C@H](O)COCc2ccccc2Cl)CCO1 69665687 WNLLESUUTCUCNB-HOTGVXAUSA-N 342.867 1.480 0 40 EDAB NC(=O)CSCC(=O)Nc1ccc(OCc2ccccc2)nc1 71821579 AOCAFKFUXIXKPV-UHFFFAOYSA-N 331.397 1.818 0 40 EDAB COc1cc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2=O)ccn1 1776008936 SIEUPMHRJQKBBN-UHFFFAOYSA-N 342.355 1.445 0 40 EDAB NC(=O)[C@H](OC(=O)c1cccc(N2CCNC2=O)c1)c1ccccc1 46505106 PWXOEBNJIPGOGG-OAHLLOKOSA-N 339.351 1.600 0 40 EDAB CN(C)c1ncccc1CNC(=O)NC[C@H]1Cc2ccccc2O1 48311438 BSQSJWGNMJEDJS-OAHLLOKOSA-N 326.400 1.951 0 40 EDAB C[C@@H]1CN(c2ccc(NC(=O)NCc3nccn3C)cc2)CCO1 76070550 WGGILLNTUDQENB-CYBMUJFWSA-N 329.404 1.967 0 40 EDAB Cc1nccc(N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)n1 78254827 XAIIJJXXNBXHPK-QGZVFWFLSA-N 337.427 1.713 0 40 EDAB CN1CCN(c2ccc(NC(=O)c3cc(C(N)=O)cs3)cn2)CC1 507169927 KZFGYTFWMXCGQT-UHFFFAOYSA-N 345.428 1.246 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)CCOc2ccccc2F)C1 89486597 VXLVBJWBAAPSRK-LBPRGKRZSA-N 344.408 1.135 0 40 EDAB Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)c2cncs2)C1 1615143480 NXGZBXOTYGYFMR-KRWDZBQOSA-N 348.424 1.734 0 40 EDAB O=C(O)/C=C\C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 6132711 DZZZAXJHZCYLIH-HJWRWDBZSA-N 338.385 1.441 0 40 EDAB C[C@@H](NC(=O)COc1ccc2nncn2n1)c1ccc2c(c1)CCC2 12194816 IUINXPNNDLBZIZ-GFCCVEGCSA-N 337.383 1.869 0 40 EDAB COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(F)cc1 12436538 SQJYBAIWOXUXJB-FHIRATQRSA-N 338.331 1.212 0 40 EDAB C[C@H](CCc1ccccc1)NC(=O)CSc1nc(N)cc(=O)[nH]1 16045080 IWSVTIWQKBJRFY-LLVKDONJSA-N 332.429 1.582 0 40 EDAB CN1C(=O)NC2(CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1=O 16915556 QSEYOHVOYJCJTE-UHFFFAOYSA-N 335.791 1.425 0 40 EDAB CC(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)n[nH]1 19451899 XLWQDFFUVNSHGK-CQSZACIVSA-N 340.431 1.946 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)[nH]1 19937481 BXQGMDZWJQDCRA-UHFFFAOYSA-N 344.390 1.417 0 40 EDAB Cc1nc(N2CCOCC2)ncc1-c1ccnc(N2CCCC2)n1 19960285 GAOYUGDHIZGNOG-UHFFFAOYSA-N 326.404 1.679 0 40 EDAB Cn1cccc1C(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1 225792013 WHJJKKHJJQIQCB-UHFFFAOYSA-N 325.416 1.656 0 40 EDAB COCC(=O)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888854042 BECYKFDIFYWYCN-UHFFFAOYSA-N 328.372 1.144 0 40 EDAB Cc1cc(CN2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)on1 1888854050 DEJAQBKKDPFYAQ-TXEJJXNPSA-N 333.367 1.494 0 40 EDAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)C(=O)NC1CCCC1 1888922019 DYJLSGKIKGBSRD-MRXNPFEDSA-N 342.399 1.081 0 40 EDAB CCC[C@@H]1NC(=O)N(CN2CCN(Cc3ccsc3)CC2)C1=O 23248985 OLYUXSLDTGCWBI-AWEZNQCLSA-N 336.461 1.544 0 40 EDAB Cc1c([C@H](C)NC(=O)Cn2c(C)nc3ccccc3c2=O)cnn1C 25005445 LEVUZCFCFRAPIE-NSHDSACASA-N 339.399 1.624 0 40 EDAB O=S1(=O)CC[C@@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 44457611 SHSKAJZWFMBCMH-QMMMGPOBSA-N 341.813 1.192 0 40 EDAB O=C(C1CC(O)C1)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 1614937454 KWYKMCTWNJPNPO-GUUHALQZSA-N 332.375 1.552 0 40 EDAB COC(=O)Nc1nc(CC(=O)Nc2ccccc2C(N)=O)cs1 12440441 ZFZPEPDQHKPUAC-UHFFFAOYSA-N 334.357 1.602 0 40 EDAB O=C(N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1)c1cocn1 2055739016 HONTURKSLYGZHY-JTQLQIEISA-N 330.344 1.186 0 40 EDAB O=C(NCc1ccco1)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713472 UCBVQLLSEJJBND-CYBMUJFWSA-N 342.399 1.591 0 40 EDAB CS(=O)(=O)N1CCC(NCc2c[nH]nc2-c2cccs2)CC1 30656943 GDVMYJDSRZUAHX-UHFFFAOYSA-N 340.474 1.652 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@@H](CN)C2)c(Br)c1 50246697 XDDYKYRIHZXRGB-JTQLQIEISA-N 333.251 1.727 0 40 EDAB COc1ccc(CNc2nc3[nH]c(C)c(C)c(=O)n3n2)cc1OC 100641597 TVMPILZTJJCZRC-UHFFFAOYSA-N 329.360 1.664 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 40539163 LIQTUVXHJZBSDN-GFCCVEGCSA-N 331.376 1.168 0 40 EDAB Cc1c(C(=O)NCCCN(C)S(C)(=O)=O)oc2c(F)cccc12 40515418 JJNKNASDYUHVSD-UHFFFAOYSA-N 342.392 1.892 0 40 EDAB Cc1cccc(C(=O)NCC(=O)OCc2nnsc2Cl)c1 21235090 HLZBTKOWONATIZ-UHFFFAOYSA-N 325.777 1.973 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc3ccccc3n2)CC1 32885629 AAFFKLXQDFGRSH-UHFFFAOYSA-N 333.413 1.845 0 40 EDAB Cc1cc(NC(=O)CN2CC[C@@H](C(N)=O)C2)n(-c2ccccc2F)n1 52962591 VMGFALKVMKSAJZ-GFCCVEGCSA-N 345.378 1.066 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 33209522 FJIALCNKCIJHKL-BLLLJJGKSA-N 340.383 1.447 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@@](C)(c2cccc(Cl)c2)C1=O 42179407 YVUHADOWGIFSLC-HNNXBMFYSA-N 348.794 1.704 0 40 EDAB COc1ccc(CN2CCN(Cc3nc(C)no3)CC2)cc1OC 22932536 ZHQZWULFCAKMDQ-UHFFFAOYSA-N 332.404 1.713 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@@H](C(=O)c1ccccc1)n1ccccc1=O 819438 HYTXKPFLWXHYJJ-DOTOQJQBSA-N 340.379 1.568 0 40 EDAB O=C(C[C@H]1CCCO1)NCCS(=O)(=O)c1ccc(Cl)cc1 54228538 MXWNZERWDACTIW-GFCCVEGCSA-N 331.821 1.799 0 40 EDAB CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)cc1 71285817 VHZRLLKNZKMZJP-ZIAGYGMSSA-N 347.415 1.273 0 40 EDAB O=C(NCCN1CCOCC1)N(Cc1ccccc1)CC(F)F 79068110 FZIGQCLDMYCSMF-UHFFFAOYSA-N 327.375 1.796 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccc2c(c1)OCO2 42648607 OWMJBUNRLMCRFD-PWSUYJOCSA-N 340.401 1.017 0 40 EDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(Br)cc1 2501287 REHSLUFXKBKNMB-NSHDSACASA-N 327.178 1.683 0 40 EDAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N3CCN=C3S2)cc1 2728900 ZGHQXBZOPQUZFU-GFCCVEGCSA-N 347.396 1.506 0 40 EDAB Cc1cnc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cn1 24300192 DONNRWFJKAXFKG-UHFFFAOYSA-N 338.411 1.678 0 40 EDAB CC(=O)Nc1cc(NC(C)=O)c(/C=C/C(=O)O)cc1/C=C/C(=O)O 3845037 KZBZDXHVHBZSGH-GGWOSOGESA-N 332.312 1.799 0 40 EDAB Nc1cc2c(cc1[N+](=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1-2 3897003 HPBOIMQILBMZPX-UHFFFAOYSA-N 336.285 1.481 0 40 EDAB COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 4064645 NNCKSAGIHJUGAY-WQTQNVOBSA-N 343.379 1.711 0 40 EDAB biogenic COc1ccc(-c2nnn(CC(=O)N3CCCCCC3)n2)cc1OC 4213573 KHALHHOMRXDPDS-UHFFFAOYSA-N 345.403 1.760 0 40 EDAB CCc1cccc(CC)c1NC(=O)CSc1nc(N)nc(N)n1 4922204 YBZWOORSCVKYEP-UHFFFAOYSA-N 332.433 1.892 0 40 EDAB Cc1ccnc(NC[C@@H]2CCN(CCN3C(=O)NC(C)(C)C3=O)C2)c1 97200773 RHUATQNDHRSJJS-AWEZNQCLSA-N 345.447 1.454 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cnn(C)c2)c1 25310410 VUUSPWRBOXQZHM-UHFFFAOYSA-N 340.380 1.498 0 40 EDAB Cn1nc(C(=O)N2CCCCCC2)cc1OCC(=O)N1CCCC1 57355330 ZNXDBXKXVVCQHL-UHFFFAOYSA-N 334.420 1.438 0 40 EDAB C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)C(=O)N1CCNC1=O 56156094 RLZZMVMPRSYBGU-MRVPVSSYSA-N 332.282 1.375 0 40 EDAB C[C@H]1C[C@H]1N1C[C@H](NC(=O)N[C@H](C)CCc2cccn2C)CC1=O 107510991 VIPNMVMSNOQPDP-DSJMHWKBSA-N 332.448 1.655 0 40 EDAB NC(=O)CN(C1CCCC1)S(=O)(=O)N1CCC[C@@H]1c1ccco1 84432369 JRVYMKRUCYSBNQ-CYBMUJFWSA-N 341.433 1.391 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)NCc3cc[nH]n3)cn2)C[C@@H](C)O1 48261193 IUOOAFJFDNZHFE-CHWSQXEVSA-N 344.419 1.418 0 40 EDAB O=C(Cn1nc(-c2cccs2)oc1=O)NC1CCN(C2CC2)CC1 48235941 QQDIJKZRSZOZIT-UHFFFAOYSA-N 348.428 1.308 0 40 EDAB COC[C@H](C)NC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 27470851 YLBLBPUMLPPZKE-BYNSBNAKSA-N 336.432 1.503 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 27576989 JXCDPOKSTRGOMW-GFCCVEGCSA-N 327.402 1.647 0 40 EDAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCC(=O)O 2116962 WMKBGKQZKVPADD-SECBINFHSA-N 331.324 1.250 0 40 EDAB biogenic CC(C)N1CCC[C@@H](CNC(=O)Cc2ccc(-n3cnnn3)cc2)C1 58393649 XLIDIZVMEBEJLI-INIZCTEOSA-N 342.447 1.441 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3C4C5[C@]6(CCCC[C@]516)[C@H]2[C@@H]43 104280532 OZWFRSGCPORMHG-KIEAQODYSA-N 333.391 1.963 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 101752275 QREBJGMDUBRIBD-RMHZUWNSSA-N 344.386 1.997 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@@H](C)c3ccccn3)CC2)on1 45560632 NVEJHDYNTBTSSZ-AWEZNQCLSA-N 329.404 1.966 0 40 EDAB O=C(CCNc1ncnc2[nH]cnc12)NCCc1c[nH]c2ccccc12 12297112 MXCRKJJZSPXLCF-UHFFFAOYSA-N 349.398 1.995 0 40 EDAB biogenic O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NC1CCCCCC1 3544493 WMVUJWZXLLZAPI-UHFFFAOYSA-N 335.404 1.559 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)CNC(=O)c2cccs2)on1 9112694 CEMMOELLQHXPNI-SECBINFHSA-N 337.357 1.345 0 40 EDAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2ccco2)c2ccccc21 9302777 GVDCNAAOSYIFNY-CQSZACIVSA-N 327.340 1.120 0 40 EDAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCC[C@@H](O)C1 39517021 QNKQVQWGSIZLEV-GFCCVEGCSA-N 339.823 1.160 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N(Cc2ccncc2)C2CC2)cc1 65390727 KTZADMRTJFWAKM-UHFFFAOYSA-N 345.424 1.795 0 40 EDAB COc1ccccc1C(=O)N1CC(=O)c2ccccc2S1(=O)=O 5274921 HRNQDOFRFFCJFN-UHFFFAOYSA-N 331.349 1.723 0 40 EDAB COCCCN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 65564283 LOEFQVQLKPMINE-OAHLLOKOSA-N 343.420 1.420 0 40 EDAB COCCN(C(=O)c1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 4749857 GGZYXUYTDPOKGS-ZDUSSCGKSA-N 337.397 1.709 0 40 EDAB C[C@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1nnnn1C1CC1 71859161 FMHMHNVDCWHACM-ZQJOYCHOSA-N 325.438 1.094 0 40 EDAB O=C(CN1CCCC[C@H]1Cn1cncn1)N1CCc2ccccc21 71876176 HQGQGXCUYHEOLV-INIZCTEOSA-N 325.416 1.722 0 40 EDAB CN(C[C@@H]1CN(CCOc2cccc(F)c2)CCO1)c1cccnn1 83859262 DZFBLSSWWZVBSG-QGZVFWFLSA-N 346.406 1.832 0 40 EDAB CN1CCO[C@H](C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)C1 83881742 GATMHYYWGWVXAW-KRWDZBQOSA-N 330.384 1.845 0 40 EDAB CC(=O)N(C)CC(=O)N(CCN(C)C)Cc1ccc(Cl)cc1 68476022 ZVSUQOOIKFOKRA-UHFFFAOYSA-N 325.840 1.709 0 40 EDAB Cc1cc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)no1 7836911 YFKUPAMBLRIIGX-QGZVFWFLSA-N 343.339 1.721 0 40 EDAB CCc1cc(=O)[nH]c(SCC(=O)NCc2ccccc2OC)n1 96640441 YMKWSNLOKNIGLK-UHFFFAOYSA-N 333.413 1.749 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)c2cnn[nH]2)cc1 70009946 BERALCZRVLYMDM-UHFFFAOYSA-N 336.417 1.306 0 40 EDAB Cn1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)c(-c2ccncc2)n1 70041005 RLFAWZZIHLNADK-OAHLLOKOSA-N 336.399 1.983 0 40 EDAB O=C(CCN1CCO[C@@H](Cn2cccn2)C1)N1CCc2ccccc21 69376260 QYPFTWLVDFUTLT-QGZVFWFLSA-N 340.427 1.563 0 40 EDAB O[C@H](COc1ccc(F)cc1)CN1CCO[C@H](Cn2cccn2)C1 69392531 CCHGSOVWTSCWBZ-RDJZCZTQSA-N 335.379 1.163 0 40 EDAB CC(C)CNC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 8429763 JDSFADKLFBFTHK-UHFFFAOYSA-N 335.404 1.440 0 40 EDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NCCCn2ccnc2)CC1=O 8424801 HGEQSWVSAWWINX-NVXWUHKLSA-N 340.427 1.999 0 40 EDAB O=C(O)[C@@H]1CCC(=O)N(CCNc2ncccn2)[C@@H]1c1cscn1 69585667 NOLQAVIUKLDVMF-MFKMUULPSA-N 347.400 1.410 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)CS(=O)(=O)NC1CCC(C)CC1 69537741 JBWTVRGMUGFBKD-SLTAFYQDSA-N 346.493 1.370 0 40 EDAB CNC(=O)NC(=O)CCCN1CCN(c2ccc(Cl)cn2)CC1 69568317 IAJIYGBVQNJJSL-UHFFFAOYSA-N 339.827 1.093 0 40 EDAB O=C(CNC(=O)c1ccccc1)Nc1nnc(-c2ccc(F)cc2)[nH]1 69537817 NEPHHCUYGJFIIM-UHFFFAOYSA-N 339.330 1.979 0 40 EDAB CCCCCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245786 QUWRRPGVPPHZCZ-UHFFFAOYSA-N 327.450 1.849 0 40 EDAB CC(C)(C)CC(=O)NCc1nc(CC(=O)Nc2ccccn2)no1 69744281 ZZFOZKXDCNKIOG-UHFFFAOYSA-N 331.376 1.698 0 40 EDAB CCc1nc(CN2CCN(C[C@@H](O)COc3ccccc3)CC2)no1 69770307 HJKMLFNGERFZDN-OAHLLOKOSA-N 346.431 1.190 0 40 EDAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CC(=O)N1CCCC1 69976100 VBVVEWODGIEMHF-AWEZNQCLSA-N 325.453 1.988 0 40 EDAB Cc1cccc(OCCNC(=O)[C@@H](C)N2CCO[C@H](CN(C)C)C2)c1 69972491 GMGRNXMSJRKWPH-SJLPKXTDSA-N 349.475 1.141 0 40 EDAB Cc1ccn(-c2ccc(N3CCC[C@H](CN4CCOCC4)C3)nn2)n1 84248000 FUCKVRLVBJQMGL-MRXNPFEDSA-N 342.447 1.519 0 40 EDAB O=C(NCC1CCS(=O)(=O)CC1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 95440340 RDHFVHCRAAGVLT-OWCLPIDISA-N 334.441 1.449 0 40 EDAB C[C@@H](O)CCN(C)S(=O)(=O)c1ccc(Br)cc1F 97163097 METWHOSKLYMHAE-MRVPVSSYSA-N 340.214 1.980 0 40 EDAB COc1cccc(CCNC(=O)CN(C)c2ncnc3[nH]cnc23)c1 95954248 AXCIHGIBKMVZQP-UHFFFAOYSA-N 340.387 1.157 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1sc(N(C)C)nc1C 95981808 LMSVQZDMUIFUSQ-JTQLQIEISA-N 334.449 1.936 0 40 EDAB COCCN(CC(=O)N(C)C)[C@@H](C(=O)OC)c1ccccc1Cl 75141982 JXPYQJSUHQNUJR-OAHLLOKOSA-N 342.823 1.591 0 40 EDAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C)cc1S(N)(=O)=O 89651147 DEWQXCDHWITYBW-INIZCTEOSA-N 347.440 1.884 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)c2ccc3nncn3c2)c(C)nn1C 75602460 CHQAHXVTXVUCNC-ZDUSSCGKSA-N 340.387 1.757 0 40 EDAB C[C@H](Oc1cccc(Br)c1)C(=O)NCC[S@](C)=O 76041474 YUQRQLZAJMJGKS-NIVTXAMTSA-N 334.235 1.711 0 40 EDAB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c(n1)c(C)nn2C 28557439 JVHMTOJLNNDJNE-UHFFFAOYSA-N 340.387 1.536 0 40 EDAB c1cncc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 354063939 DFZMCCAIEINHPP-UHFFFAOYSA-N 340.431 1.030 0 40 EDAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC(C)C)cc1 408596267 RWNLHLKZVKGITK-CYBMUJFWSA-N 342.461 1.913 0 40 EDAB O=C(O)[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc(Cl)s1 547548663 PCZYHARTXTZEGV-JGVFFNPUSA-N 339.822 1.560 0 40 EDAB CCC[C@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 408611807 RNTNLAJBWXVTPT-LBPRGKRZSA-N 330.425 1.892 0 40 EDAB CN1CCC[C@]2(CN(Cc3nccs3)C[C@H]2c2ccnn2C)C1=O 306125528 CTHKIIMXHXQZSG-SUMWQHHRSA-N 345.472 1.715 0 40 EDAB COC[C@@H](C)Nc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)O 217556093 IKQOKGZGMLOCTP-LLVKDONJSA-N 344.433 1.766 0 40 EDAB C[C@H](O)CNS(=O)(=O)CC1CCN(Cc2ccc(F)cc2)CC1 521396852 NLDFXSMOIJEZMW-ZDUSSCGKSA-N 344.452 1.338 0 40 EDAB Cc1nc(C(C)C)oc1C(=O)NC1CN([C@@H]2CCCN(C)C2=O)C1 1031074023 VNTBESWMEYZHDQ-CYBMUJFWSA-N 334.420 1.141 0 40 EDAB O=c1[nH]c(N2CCCCC2)nc2c1CCN(C[C@@H]1CCC=CO1)C2 72335535 DXQRGQLGSSHBQR-AWEZNQCLSA-N 330.432 1.811 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC 218460102 WLUYELGZVMMBFV-IJEWVQPXSA-N 325.430 1.404 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccccc2Cl)CC1 79330699 PWDBWLKWLODJOP-HNNXBMFYSA-N 335.835 1.894 0 40 EDAB Cc1cnn(Cc2ccccc2F)c1NC(=O)[C@@H]1CN(C)CCO1 183838635 JAVSFCWBJQIEPM-HNNXBMFYSA-N 332.379 1.648 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)Nc2nnc3ccccn23)c1C 79029263 ANZAYAVOHZCTDL-UHFFFAOYSA-N 346.368 1.625 0 40 EDAB COCCNc1cc([C@@H]2CCN2C(=O)c2cscn2)nc(C)n1 72387589 SUJDMEPQXHPAIS-ZDUSSCGKSA-N 333.417 1.887 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)[C@]1(C)Oc2ccccc2NC1=O 71195589 XKJZLTOVYSRZRS-XIKOKIGWSA-N 340.383 1.704 0 40 EDAB Cc1nc2ncnn2c(N2CCC[C@@H](C(=O)NCC3CC3)C2)c1C 77191179 NDEDASMJXCRPQW-CQSZACIVSA-N 328.420 1.484 0 40 EDAB COc1ccc(OCc2cn(CC(=O)Nc3nccs3)nn2)cc1 227162811 BELWRTVKTGNHCQ-UHFFFAOYSA-N 345.384 1.961 0 40 EDAB COc1cc(C(=O)O)ccc1S(=O)(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 530154673 VJKRUKXVXDKJGL-RBQUTUCGSA-N 343.401 1.484 0 40 EDAB Cn1ccnc1[C@H](O)C1CCN(CC(=O)Nc2ccc(F)cc2)CC1 89925435 DPGQEIQLPDXLRI-QGZVFWFLSA-N 346.406 1.943 0 40 EDAB CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)c(F)c1 190344485 DJBGDJWYFCCGTP-QWHCGFSZSA-N 337.370 1.989 0 40 EDAB Cn1c(C(F)(F)F)nn(CCNC(=O)Cc2ccc(F)cc2)c1=O 85555746 XSVUSZYPNZZBGY-UHFFFAOYSA-N 346.284 1.099 0 40 EDAB O=S(=O)(Cc1ccc(F)cc1)N1CC[C@@H](Oc2cccnn2)C1 225419620 OUMVSDXPLGIBBL-CQSZACIVSA-N 337.376 1.599 0 40 EDAB O=S(=O)(c1ccccc1)N1CC(c2nc(-c3ncccn3)no2)C1 49482724 YKRRXWSMPOSLPP-UHFFFAOYSA-N 343.368 1.315 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cc1 224154445 VOFJZHMVYQZXSN-UHFFFAOYSA-N 332.429 1.864 0 40 EDAB CC(C)CN1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)CN12 514288998 HWVNBWPPEFDGTO-ZWKOTPCHSA-N 343.471 1.288 0 40 EDAB biogenic,in-vitro CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1Cc1ccccc1 96092731 FHCFRAOVRBNNSY-ZBFHGGJFSA-N 347.440 1.390 0 40 EDAB CCc1nc(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)n[nH]1 97096459 BCHHNNSIKRMMEC-UHFFFAOYSA-N 347.394 1.229 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 95447933 POZXXEMQABSLFO-UHFFFAOYSA-N 337.279 1.799 0 40 EDAB COc1ccc(NCc2nc(-c3ccco3)no2)cc1-n1cnnn1 96427569 MJQVFACEWAKLDJ-UHFFFAOYSA-N 339.315 1.926 0 40 EDAB CN(C)C(=O)Cn1c2c(ccc1=O)CCN(Cc1cccs1)CC2 96196686 KEZOKKBSYZORQJ-UHFFFAOYSA-N 345.468 1.599 0 40 EDAB CN(C)C[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 96420831 CJNOOEHZAOLPJT-MSOLQXFVSA-N 331.460 1.298 0 40 EDAB CC(C)S(=O)(=O)CCCN1CCCC[C@H]1CN1CCCC1=O 96467046 CVSKCOCTTBVVKW-HNNXBMFYSA-N 330.494 1.677 0 40 EDAB C[C@@H](NCCC(=O)N1CCN(c2ncccn2)CC1)c1cccs1 96476929 IIWYVCGYOWKOLA-CQSZACIVSA-N 345.472 1.928 0 40 EDAB CN1CCN(C(=O)C[C@H]2C[C@H]3CN(Cc4cccs4)C[C@H]3O2)CC1 96207380 IFPCHWUIFUPFDC-ZMSDIMECSA-N 349.500 1.502 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(-c2nnc(C)o2)c1 96444613 VKTVGQYBQXSCIE-AWEZNQCLSA-N 330.388 1.936 0 40 EDAB Cn1cccc1C(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1 96066855 HPQYKAKXJYRXGM-OAHLLOKOSA-N 328.416 1.920 0 40 EDAB O=C1[C@H](n2cnc3cc(F)ccc3c2=O)CCN1CC(F)(F)F 96405352 YMEBVIICKSGVPS-LLVKDONJSA-N 329.253 1.871 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96208989 RHDAOMFFUXAXJK-INIZCTEOSA-N 333.432 1.310 0 40 EDAB O=C(c1ccco1)N1C[C@H]2CCN(Cc3cccnc3)C(=O)[C@@H]2C1 96082003 MHZPEOBDFSBPEY-HUUCEWRRSA-N 325.368 1.795 0 40 EDAB Cc1noc([C@@H]2CN(Cc3scc4c3OCCO4)CCN2C)n1 585117422 CCBMNEXKOWXEMJ-NSHDSACASA-N 336.417 1.699 0 40 EDAB COC(=O)c1ccc2nc(CNC(=O)c3nc(C4CC4)no3)[nH]c2c1 585138605 MQTALGNAJNLZQI-UHFFFAOYSA-N 341.327 1.540 0 40 EDAB CC1(C)CCC[C@](NC(=O)c2ccc(S(N)(=O)=O)o2)(C(=O)O)C1 585134381 QFHVBXNJPXQSET-CQSZACIVSA-N 344.389 1.080 0 40 EDAB O=C(NC1CCN(CC2CCCC2)CC1)c1cn([C@@H]2CC[C@H]2O)nn1 585129212 BPMOQDRZWQEORX-IAGOWNOFSA-N 347.463 1.358 0 40 EDAB COC(=O)Nc1cccc(OS(=O)(=O)N=S2(=O)CCCC2)c1 585115410 YXBNCEANKBVWCN-UHFFFAOYSA-N 348.402 1.750 0 40 EDAB COc1cc(CCC(=O)N2CCO[C@H](c3nccc(C)n3)C2)on1 257309916 UCXIMWYQDBRZMP-ZDUSSCGKSA-N 332.360 1.314 0 40 EDAB COc1cccc(O[C@H]2CCN(C(=O)c3cnco3)CC[C@@H]2O)c1 257274366 NKSLQXWVWCNFFR-GJZGRUSLSA-N 332.356 1.728 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)Cc2c(C)n[nH]c2C)C1 257337751 YUEWMQOBTKUOSA-AWEZNQCLSA-N 342.447 1.882 0 40 EDAB Cc1cc(C[C@@H]2COCCN(C(=O)CC3(O)CCCCC3)C2)ncn1 257233258 GOLUZOKFTUODKN-INIZCTEOSA-N 347.459 1.888 0 40 EDAB O=C(Cc1ccsc1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257273957 NIXLWWJIMGMRCN-CQSZACIVSA-N 333.413 1.646 0 40 EDAB CNc1cnc(C[C@H]2CCCN(C(=O)Cn3cccn3)CC2)cn1 257310108 UDSIEYJJLVHASZ-AWEZNQCLSA-N 328.420 1.586 0 40 EDAB CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1cncs1 257208502 BMLDTQVFPXVSRR-HNNXBMFYSA-N 331.401 1.153 0 40 EDAB CCCn1cc(-c2cnc(C[C@H]3CCN(S(C)(=O)=O)C3)cn2)cn1 257301117 RXBKYXQTTRSSIB-CYBMUJFWSA-N 349.460 1.574 0 40 EDAB CCc1nccn1CCC(=O)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257332095 XVSQEHOVFOXSND-GPMSIDNRSA-N 348.491 1.720 0 40 EDAB Cc1cc(CN2C[C@@H](O)[C@H](Oc3ccc(CC(=O)O)cc3)C2)no1 257248737 JEYQXVYHAWKFAW-HZPDHXFCSA-N 332.356 1.234 0 40 EDAB C[C@@H](OC(=O)c1ccnc(Cl)c1)C(=O)Nc1ncnc2nc[nH]c12 26281070 FJZPFLGKOLGNGX-SSDOTTSWSA-N 346.734 1.585 0 40 EDAB O=C(Cn1ccc2ccc(F)cc21)N1CC[C@H](O)[C@]2(CCCO2)C1 257235622 GYQWMVDERGISRV-WMZOPIPTSA-N 332.375 1.923 0 40 EDAB CNc1cc([C@H]2CCCN2C(=O)C2CCN(C(C)=O)CC2)nc(C)n1 257221809 DQPOTOHMOUGWNZ-MRXNPFEDSA-N 345.447 1.749 0 40 EDAB Cc1cnc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)cn1 257292070 QJVPLYIIHSEYNI-KRWDZBQOSA-N 341.415 1.768 0 40 EDAB Cc1nc(-c2nccn2C)cc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257271409 MYEPRDLWJKVVBU-LBPRGKRZSA-N 335.433 1.325 0 40 EDAB COCC(=O)N1CCC(c2cncc(-c3c(C)nn(C)c3C)n2)CC1 257289463 PYTHWMXTKOPDGF-UHFFFAOYSA-N 343.431 1.846 0 40 EDAB Cc1cc(C)c(C)c(OS(=O)(=O)C[C@@H]2CCS(=O)(=O)N2C)c1 1615587474 MUUYANDYVMMMTH-ZDUSSCGKSA-N 347.458 1.354 0 40 EDAB COC(=O)C1(N(C)S(=O)(=O)c2ccc(F)c(C)c2)CC(OC)C1 1615585407 FDLGXWBBHNCBHM-UHFFFAOYSA-N 345.392 1.475 0 40 EDAB CN=[S@](=O)(c1ccc(NC(=O)CCc2cnn(C)c2)cc1)N(C)C 1615615496 XWVLNRYVHNPFEW-XMMPIXPASA-N 349.460 1.925 0 40 EDAB CCCS(=O)(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575403624 IEQKCBOWUBAVJH-HNNXBMFYSA-N 335.429 1.886 0 40 EDAB CO[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1cc2ccccc2o1 669933119 KVYSIILXEFVOSD-HNNXBMFYSA-N 335.385 1.832 0 40 EDAB Cc1ccc(OC[C@]2(O)CCN(CC(=O)N3CCCCC3)C2)cc1 585269447 UWLFHIINEGWTBQ-IBGZPJMESA-N 332.444 1.823 0 40 EDAB O=C(NCCc1nc(-c2ccnc(O)c2)no1)OCC(F)(F)F 585141655 WTNSHAIAFRSDHV-UHFFFAOYSA-N 332.238 1.668 0 40 EDAB Cn1cc(CN2CC3(C2)OCC[C@@H]3CCOc2ccccn2)cn1 585102584 AOFIUTQPWDVVFY-INIZCTEOSA-N 328.416 1.875 0 40 EDAB CCCC(=O)N1CCn2cc(C(=O)NCc3ccccn3)nc2[C@H]1C 585096490 QEDGLQJJLHPMPM-CYBMUJFWSA-N 341.415 1.911 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@H](n2cccn2)C1 71185920 YXIBSXSKFOFXLV-MRXNPFEDSA-N 337.387 1.265 0 40 EDAB CNC[C@@H]1CCN(S(=O)(=O)c2sccc2Br)C1 71145182 UQEFLNFGPKJSJN-QMMMGPOBSA-N 339.280 1.741 0 40 EDAB NS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 71897888 GZFKPRJRWUFAEV-RKDXNWHRSA-N 337.228 1.502 0 40 EDAB Cc1cccc(OC[C@@H]2CCCN(C(=O)Cn3ncccc3=O)C2)n1 1775996194 ZTFSDYRYKZEMQP-OAHLLOKOSA-N 342.399 1.264 0 40 EDAB COCCOCc1cccc(NC(=O)NCCCN2CCCC2=O)c1 59349846 UNJYNWXLPRJIMB-UHFFFAOYSA-N 349.431 1.984 0 40 EDAB CCN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CC(=O)N(CC)C1 57314475 GKAMOBNVWAASFV-HNNXBMFYSA-N 331.416 1.020 0 40 EDAB Cc1nc2n(c1C)CCN(Cc1cc(=O)n3c(C)csc3n1)C2 97201458 IALKNBPKPZUTIE-UHFFFAOYSA-N 329.429 1.894 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCc1ccc(F)cc1 102697839 TWUYIYRLPHJSDO-GJZGRUSLSA-N 330.359 1.436 0 40 EDAB Cc1cccc(S(=O)(=O)N2CC3(CC(=O)N(CC4CC4)O3)C2)c1 1549161953 LRKDEEWVLIOUCC-UHFFFAOYSA-N 336.413 1.312 0 40 EDAB O=C(Cn1ncnn1)N1CCCc2c(F)cc(Br)cc21 1548453225 MECQFWKEKIKXKD-UHFFFAOYSA-N 340.156 1.554 0 40 EDAB NC(=O)C[C@@H]1CN(C(=O)c2cnco2)CC[C@H]1Oc1ccccc1 1615192482 USECIEZUQOBHFN-TZMCWYRMSA-N 329.356 1.460 0 40 EDAB CCC[C@H](NC(=O)NCC(=O)N1c2ccccc2CC[C@H]1C)C(=O)O 12865758 VSRODSJJMLGNHP-OCCSQVGLSA-N 347.415 1.907 0 40 EDAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccc2c(c1)OCO2 14031757 XQDJBUJCOJLZHZ-LLVKDONJSA-N 345.380 1.956 0 40 EDAB CN(c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(F)cc1 14134936 GSBHNXRBNKWSPQ-UHFFFAOYSA-N 338.360 1.515 0 40 EDAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NC1CC1 15366003 IAUWUUCXXVKITG-UHFFFAOYSA-N 340.449 1.059 0 40 EDAB CCC(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1 17171339 WSSSWFLQFGOTEV-UHFFFAOYSA-N 334.416 1.497 0 40 EDAB COc1cc(OC)c(S(=O)(=O)NCc2noc(C)n2)cc1Cl 19286076 HSDHHEVFELBRMV-UHFFFAOYSA-N 347.780 1.527 0 40 EDAB Cc1ncc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 19287246 BUJBJVJEAPUVMC-UHFFFAOYSA-N 334.383 1.489 0 40 EDAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CC(=O)NCCn1ccnc1 19579528 TVUMHTSTNYMIAZ-UHFFFAOYSA-N 337.383 1.301 0 40 EDAB O=C(COc1ccc(Cl)cc1)NC[C@@H](O)Cn1ccccc1=O 208004780 DBWMMJZOHXTIID-CYBMUJFWSA-N 336.775 1.058 0 40 EDAB CC1(C)CC(=O)c2sc(NC(=O)CN3C(=O)CCC3=O)nc2C1 4167572 MDZYJSPZSKETNW-UHFFFAOYSA-N 335.385 1.386 0 40 EDAB Cc1nc(CN2CCO[C@H]3CN(C(=O)C4(F)CCC4)C[C@H]32)cs1 1565551115 APNGJKYTQKVAJZ-KGLIPLIRSA-N 339.436 1.755 0 40 EDAB COc1ccc(C(=O)OCn2nnc3ccccc3c2=O)c(OC)c1 428861 ZNXMWBOFEDJDBP-UHFFFAOYSA-N 341.323 1.623 0 40 EDAB O=C(c1ccc[n+]([O-])c1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220756852 RLMDDBYWSDIRPF-LBPRGKRZSA-N 328.372 1.675 0 40 EDAB CCN1CCN(C(=O)NCc2cncc(-c3ccco3)c2)C(=O)C1=O 575619600 XCFBIIWPBPZIAG-UHFFFAOYSA-N 342.355 1.242 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC(OCC(F)(F)F)C1 585365522 SXDAAHFMLPGRNG-UHFFFAOYSA-N 337.319 1.573 0 40 EDAB O=C(NCCOc1ccc2c(c1)OCO2)[C@H]1COc2ccccc2O1 40121760 CXFKHNKKRVGZBI-QGZVFWFLSA-N 343.335 1.750 0 40 EDAB 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EDAB Cc1nc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)ncc1C(N)=O 72345424 SRYONOLLXCKLGT-OAHLLOKOSA-N 342.374 1.929 0 40 EDAB Cc1nc(O)cc(C2(C)CCN(C(=O)[C@@]3(C)CCCCN3)CC2)n1 72367345 ZLOPLCFTAZNYDV-GOSISDBHSA-N 332.448 1.903 0 40 EDAB O=C(CCCN1C(=O)CNC1=O)NCC1(c2ccc(F)cc2)CCC1 79334680 XWLNYQPFKGRIEJ-UHFFFAOYSA-N 347.390 1.696 0 40 EDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)CO 218206911 PLZZNICIVUHIIE-WOPDTQHZSA-N 334.235 1.039 0 40 EDAB CCOc1cccc(S(=O)(=O)N2CC(C)(C)OC[C@@H]2C(=O)O)c1 562982439 YMIRGTUDPHWZPD-CYBMUJFWSA-N 343.401 1.338 0 40 EDAB CN1CCC[C@@H](c2nc(N(C)C)ncc2I)C1 72343522 BZWJIPILGXGUPF-SECBINFHSA-N 346.216 1.956 0 40 EDAB C[C@@H](O)CN1CCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 69843133 SLFDRFIYTNDUCB-ZIAGYGMSSA-N 339.867 1.343 0 40 EDAB O=C([C@@H]1Cc2ccccc2CO1)N1CCC[C@@H](Oc2cnccn2)C1 225475033 GZBBISIRVJWRMT-SJORKVTESA-N 339.395 1.988 0 40 EDAB O[C@H](CN[C@H]1CCc2ncnn2C1)c1ccc(C(F)(F)F)cc1 69875371 WGCJBACOZWSXIQ-QWHCGFSZSA-N 326.322 1.935 0 40 EDAB O=C(O)[C@H]1CCN(C(=O)NCc2ccc(OCC(F)(F)F)nc2)C1 576725348 PQCLFXDSVQQOHK-JTQLQIEISA-N 347.293 1.639 0 40 EDAB C[C@H](CS(C)(=O)=O)NC(=O)N1CCc2c(F)ccc(F)c2C1 84439591 QLNHOXWVCQPSIC-SECBINFHSA-N 332.372 1.466 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)Cn3cccc3)n2)cn1 225816395 PJSMLCRRPRFTHS-UHFFFAOYSA-N 327.344 1.648 0 40 EDAB CCOc1cccc(NS(=O)(=O)c2nnc(NC(C)=O)s2)c1 222620416 VQZPETDAUBHGEG-UHFFFAOYSA-N 342.402 1.696 0 40 EDAB Cn1nc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)ccc1=O 81259043 KTEVOXBQQTVEGN-AWEZNQCLSA-N 335.367 1.421 0 40 EDAB Cc1ccc(-c2cc(C(=O)NCCc3nc(=O)o[nH]3)n[nH]2)cc1C 583361805 BSMWDNHCONXZLB-UHFFFAOYSA-N 327.344 1.342 0 40 EDAB O=C(c1ccccc1)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 96202336 UAYSPWYUIYOSOL-IBGZPJMESA-N 338.411 1.846 0 40 EDAB Cn1ncc2c1[C@H](COCC1CC1)N(C(=O)Cc1ccccn1)CC2 96197796 ZIULJUJNUVMWNI-KRWDZBQOSA-N 340.427 1.910 0 40 EDAB O=C(NCCCNC(=O)C12CC3CC(CC(C3)C1)C2)c1cnccn1 96026195 FIPSWGYNQHNISP-UHFFFAOYSA-N 342.443 1.929 0 40 EDAB C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@H]2COCCO2)CC1 96426001 OZAGMOSSOCGWII-CJNGLKHVSA-N 338.835 1.961 0 40 EDAB Cc1cccc(C2=CCN(C(=O)C3=NN(CCO)C(=O)CC3)CC2)c1 92695160 QQFALPIGXBSOPQ-UHFFFAOYSA-N 341.411 1.581 0 40 EDAB COC[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(C)cc2)O1 96186041 HQOKLPIKMLMFFY-BPUTZDHNSA-N 325.430 1.952 0 40 EDAB CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@H]21 96043324 NBEFGKALLGHCJE-QLFBSQMISA-N 332.400 1.388 0 40 EDAB CC(C)n1cnc2c1[C@H](C(=O)NCCO)N(Cc1ccccc1)CC2 96037528 NDSPJPSFWGVRKG-GOSISDBHSA-N 342.443 1.672 0 40 EDAB CN(C)C(=O)[C@@H]1CN(CCOCc2ccccc2)Cc2ccnn21 247985383 KMYSEWITRKEAFN-KRWDZBQOSA-N 328.416 1.545 0 40 EDAB CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 585123836 DNUKGACTDPLVGS-NHYWBVRUSA-N 331.434 1.144 0 40 EDAB Cc1nc2ccc(C(=O)N3CC[C@H](O)[C@@H](n4ccnc4)CC3)cc2[nH]1 257213925 CJSSXVVDUPZGQW-IRXDYDNUSA-N 339.399 1.906 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1COCCN1C(=O)c1ccsc1 257231975 GIWBIUGEQFDXNA-JTQLQIEISA-N 341.414 1.088 0 40 EDAB O=C(COc1ccccc1F)N1CCOC[C@@H](Cc2ccncn2)C1 257241465 HYCQNFJSDSDCFH-AWEZNQCLSA-N 345.374 1.712 0 40 EDAB Cc1c[nH]c(-c2cc([C@@H]3CCCCN3S(C)(=O)=O)nc(C)n2)n1 257233881 GREFTLMKNXCYJA-AWEZNQCLSA-N 335.433 1.970 0 40 EDAB CN1C(=O)CO[C@@H]2CCN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21 257331746 XUBVHTQKLIRYHA-QWHCGFSZSA-N 342.317 1.777 0 40 EDAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)CN)[C@H]1CCCCC(=O)N2 257321504 WBYJSBVUIIVFFN-GJYPPUQNSA-N 329.444 1.606 0 40 EDAB CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)C1 260559689 YOBFFHKRICZZEO-HUUCEWRRSA-N 345.443 1.876 0 40 EDAB CCCC(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)O)[C@H]2CCCOC2)C1 262753452 JOGDJIYQKZKIOE-YDHLFZDLSA-N 340.420 1.021 0 40 EDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2C(F)(F)F)C1 262328239 UMYHMHBWIAVULQ-MRVPVSSYSA-N 338.307 1.586 0 40 EDAB O=C1CN(C[C@@](O)(c2ccc(Br)cc2)C(F)F)CCN1 1615587819 LLBCEUDBDQBQJT-CYBMUJFWSA-N 349.175 1.334 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)NCc1ccccc1CO 1615616320 XZFGLCKWVRUZJY-LJQANCHMSA-N 326.396 1.604 0 40 EDAB CN(CCc1cccs1)S(=O)(=O)C[C@@H]1C[C@H]2COC[C@@H]2O1 1616034520 NJJYAZAIHQKVLX-OBJOEFQTSA-N 331.459 1.356 0 40 EDAB Cc1cc(OC2CCN(C(=O)c3cccn(C)c3=O)CC2)nc(C)n1 390826168 DMRKZKNSDYVCHS-UHFFFAOYSA-N 342.399 1.476 0 40 EDAB Cc1cc(C(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)no1 390831494 SDRVTSKDMTUGGF-OAHLLOKOSA-N 334.397 1.985 0 40 EDAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(C(=O)[C@@H]2CCOC2)C3)c1 575403923 IYRDLEBQAALIKJ-SJORKVTESA-N 346.427 1.703 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 585093669 UAFYMCUZMJELLI-LBPRGKRZSA-N 344.346 1.463 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2cccc(F)c2Cl)C[C@@H]1OC 585277228 HAKFLRZZURYLOA-SKDRFNHKSA-N 328.771 1.702 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)/C=C/c1ccc2c(c1)OCO2 585287971 KIGAGHOUDLBQCN-AGRRQVLLSA-N 349.383 1.316 0 40 EDAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(Cn2ccnc2)[C@@H](O)C1 585289850 KZDFATITHJJAGH-HOCLYGCPSA-N 335.791 1.175 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)o1 678617006 IAJQEAAMIWVHLK-CQSZACIVSA-N 342.461 1.900 0 40 EDAB CCOc1ncccc1CNC(=O)N1CCC[C@@H](c2nncn2C)C1 65625403 JHPPKUQADSXARY-CQSZACIVSA-N 344.419 1.698 0 40 EDAB CC[C@@H](C)N(C)CCNC(=O)c1ccc(OCC(N)=O)c(OC)c1 66136822 UKCFWHXTTZUYNB-GFCCVEGCSA-N 337.420 1.019 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1cc(=O)n3cc(C)ccc3n1)CC2 69661102 WTUJSGITPXCFQD-ZDUSSCGKSA-N 338.415 1.261 0 40 EDAB COc1ccc(S(=O)(=O)N2CC(Nc3nccs3)C2)cc1 893000963 KKEUMQUMWAQUTF-UHFFFAOYSA-N 325.415 1.637 0 40 EDAB Cc1nccc(N2CCN(c3ccc(-c4ccccn4)nn3)CC2)n1 1776008543 FXIMQOLQPOWWGH-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)NCCc1cccc2ccccc12 52848490 BFAMSDJCCZKSPE-UHFFFAOYSA-N 346.452 1.229 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N[C@H]2COc3ccccc3C2)c1 53043020 NLUVFPCROPBIBX-CQSZACIVSA-N 331.393 1.824 0 40 EDAB C[C@@H]([C@@H](C)NCC(=O)N1CC(=O)Nc2ccccc21)n1cccn1 84139601 KLGAKIAUADDGSV-OLZOCXBDSA-N 327.388 1.408 0 40 EDAB CN1CC[C@@H](N(C)C(=O)c2cccnc2OCC(F)(F)F)C1=O 75143080 OMAYRWKVRGZDBY-SNVBAGLBSA-N 331.294 1.325 0 40 EDAB COCCn1cc(CNC[C@H]2CCO[C@H]2c2c(C)nn(C)c2C)cn1 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COc1cccc(CNC(=O)c2c(O)nc3sccn3c2=O)c1 16690016 KEEFIICFBCACDU-UHFFFAOYSA-N 331.353 1.400 0 40 EDAB CC(=O)N1CC[C@@H](c2nn(CCNC(=O)C3CC3)c3ncccc23)C1 19016445 BQGURJXRJKCUBQ-CQSZACIVSA-N 341.415 1.293 0 40 EDAB CCn1cncc1CN1CCc2nc3sccc3c(=O)n2CC1 19578674 RAVMHGILMCLADJ-UHFFFAOYSA-N 329.429 1.733 0 40 EDAB O=C(NC[C@@H]1CCCO1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374289 ONKBFRNXKVIWHD-OCCSQVGLSA-N 337.807 1.924 0 40 EDAB CO[C@@H]1COC[C@@H](CNCc2ccc(C)cc2Br)[C@@H]1O 643585668 XDPZTCWTOKUXPO-YUELXQCFSA-N 344.249 1.869 0 40 EDAB O=C(N=c1ccc(C(F)(F)F)n[nH]1)N=c1cc2n([nH]1)CCCC2 554326442 CMHVJUQJMJDHAY-UHFFFAOYSA-N 326.282 1.516 0 40 EDAB O=C(COC(=O)c1cc(Cl)c2c(c1)OCO2)NCC(F)(F)F 8547139 LNEKRDYOLSIFIQ-UHFFFAOYSA-N 339.653 1.904 0 40 EDAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)C5CCCC5)C[C@H]4C3)nn12 1888844592 MBUTVEPGMOLGRJ-HUUCEWRRSA-N 340.431 1.518 0 40 EDAB CCN=c1cc(C)nc(N2CCN(c3nnc(C4CC4)s3)CC2)[nH]1 1888906837 NDDAHMGGNQUGOP-UHFFFAOYSA-N 345.476 1.694 0 40 EDAB 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CC1CCN(C(=O)c2ncn3c2CC[C@@H](C(=O)NC(C)C)C3)CC1 2055714545 GNDHOQZMBPWVCL-CQSZACIVSA-N 332.448 1.842 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)CCc2ccccc2)C1 2055772709 SNXNCVWLPWGRPT-IBGZPJMESA-N 340.427 1.580 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(c1ncccn1)C2 2055814256 YVEMCJPGSFOXCB-MRXNPFEDSA-N 329.429 1.466 0 40 EDAB Cc1cc(N2CCN(Cc3nc(C(C)C)no3)CC2)nc(N(C)C)n1 2086884558 KFQHDOSMFUWPES-UHFFFAOYSA-N 345.451 1.680 0 40 EDAB CCc1cc(N2CCN(c3cc(=O)n(C)cn3)CC2)nc(C2CC2)n1 2086854705 VHJKIIZESBXQNV-UHFFFAOYSA-N 340.431 1.337 0 40 EDAB Cc1ccc(N2CCN(CC(=O)N[C@@H]3CCSC3=O)C2=O)cc1 49379711 RGYSPBRROHRQSE-CYBMUJFWSA-N 333.413 1.385 0 40 EDAB Cn1cc([C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)Cc3ccccc32)cn1 575618196 FILJDKALWQUTBM-INIZCTEOSA-N 349.394 1.302 0 40 EDAB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 5234525 IJKHQFUJOSRYHN-UHFFFAOYSA-N 334.353 1.941 0 40 EDAB COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)cc1 5176153 REKWHZMALYIKHA-HXSKMMTNSA-N 329.352 1.623 0 40 EDAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100474691 LZMUKDFGKJKUTL-KBUPBQIOSA-N 342.395 1.461 0 40 EDAB CCN1CCN(C2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)CC1 20010748 NOCGCITVAUXVKI-UHFFFAOYSA-N 333.819 1.643 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)NCCCN1CCCCCC1=O 40488690 NTJUCSQQBFOALN-UHFFFAOYSA-N 326.828 1.904 0 40 EDAB O=C1CCc2cc(C(=O)NCc3nnc4n3CCCCC4)ccc2N1 40475439 ULCAXZYMKXVGJF-UHFFFAOYSA-N 339.399 1.819 0 40 EDAB Cc1nnc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)s1 40526507 YVCCRPOAPLZATQ-AWEZNQCLSA-N 347.444 1.387 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 40522632 HDGXIRDIOSIFDE-GFCCVEGCSA-N 348.428 1.024 0 40 EDAB COc1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1OC 40553730 SRGZQVHLHDGBGF-AWEZNQCLSA-N 342.399 1.893 0 40 EDAB NS(=O)(=O)CCNC(=O)c1cnc(-c2ccccc2Cl)s1 51374371 PWROSTKBPPGHIQ-UHFFFAOYSA-N 345.833 1.482 0 40 EDAB CNC(=O)c1cccc(NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)c1 40776352 OSBYZBCKUNIVCF-GOSISDBHSA-N 339.351 1.775 0 40 EDAB O=c1c(NCc2ccccc2)c(N2CCN(c3ccccn3)CC2)c1=O 101708311 RDDJDCKRDGUMGV-UHFFFAOYSA-N 348.406 1.616 0 40 EDAB O=C1CCc2cc(S(=O)(=O)NCCCn3cccn3)ccc2N1 32809521 GEIWDNZUOVTBRV-UHFFFAOYSA-N 334.401 1.136 0 40 EDAB Cn1c(=O)c2c(nc3[nH]c(-c4ccc(Cl)cc4)cn32)n(C)c1=O 549993 PLZBGWOCJOLRBT-UHFFFAOYSA-N 329.747 1.533 0 40 EDAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CN2CCCC2=O)c1 22468196 ITWJJCQZSMNQPW-LBPRGKRZSA-N 332.356 1.382 0 40 EDAB CS(=O)(=O)Nc1ccc(CNC(=O)c2cc(Cl)c[nH]2)cc1 53534144 PRONVXWWEGVLTR-UHFFFAOYSA-N 327.793 1.970 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 22877405 CYIOSSRMAFIBAK-UHFFFAOYSA-N 344.415 1.220 0 40 EDAB COc1ccc(OC[C@H](O)Cn2cnc3sccc3c2=O)cc1 23043087 ALQIOUBVKITFDJ-LLVKDONJSA-N 332.381 1.907 0 40 EDAB C[C@@H](OC(=O)c1ccn(C)c(=O)c1)C(=O)NC(=O)Nc1ccccc1 47485584 MFMUVBHYPSYGTE-LLVKDONJSA-N 343.339 1.279 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1F 256110 QYEAUQVLVYTRMU-UHFFFAOYSA-N 326.324 1.882 0 40 EDAB COC[C@H](O)CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 12406650 FTTXZNHPGZUVAX-GFCCVEGCSA-N 331.397 1.824 0 40 EDAB CC[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1Br 77832515 CIQJLBSYAZHCFM-ZDUSSCGKSA-N 329.194 1.665 0 40 EDAB Cc1noc(-c2cccnc2N2CCC[C@H](CN3CCOCC3)C2)n1 78249983 VXNCOEUPQDCAMX-OAHLLOKOSA-N 343.431 1.989 0 40 EDAB CC1CCN([C@@H](C)CNC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 78497723 LCYGMSPATCDXRX-LBPRGKRZSA-N 329.400 1.420 0 40 EDAB Cc1noc(-c2cccnc2N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)n1 78415489 PQGJURNYRHDADM-SMDDNHRTSA-N 327.388 1.745 0 40 EDAB Cc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccccc2)cc1 982992 UKDOKZKGZDNAOK-UHFFFAOYSA-N 332.425 1.932 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H]1C(N)=O 78879337 ZJMOSTWNPYIBJY-JKSUJKDBSA-N 334.464 1.859 0 40 EDAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3[nH]cnc3c2)C1=O 12549801 YGXSXOQNFPYJBA-GOSISDBHSA-N 349.350 1.675 0 40 EDAB C[C@H](CNC(=O)CCn1cnc2ccccc21)CN1CCN(C)CC1 79310645 VDRCNIPKHYNHHM-MRXNPFEDSA-N 343.475 1.426 0 40 EDAB CCNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 3354565 QCPSHIPURKJDCI-CYBMUJFWSA-N 330.475 1.531 0 40 EDAB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)N2CCNC2=O)cc1C 24271705 GHYWTPBGFDJKKF-NSHDSACASA-N 346.416 1.312 0 40 EDAB COC(=O)[C@]12C(=O)N[C@@H](Cc3ccccc3)[C@@H]1[C@H](C)C(C)=C[C@H]2CO 6416995 QPXYJXNTJAUDTG-ZPHFWKLASA-N 343.423 1.708 0 40 EDAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1nnc(-c2ccco2)o1 25063306 SNHCUXGJILVOMF-UHFFFAOYSA-N 330.300 1.563 0 40 EDAB COc1cccc(CNn2nnnc2N)c1OCc1ccc(F)cc1 7602438 ZSYAXOFJWYEJDE-UHFFFAOYSA-N 344.350 1.726 0 40 EDAB CCOc1cccc(N2CCN(C(=O)c3cnc(C)cn3)CC2)n1 106705742 YPVNUSNGPYMVDD-UHFFFAOYSA-N 327.388 1.541 0 40 EDAB CN(C)c1ccc(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)cn1 55823108 DSHACFLUGURWRI-UHFFFAOYSA-N 347.440 1.622 0 40 EDAB COc1ccc(C(=O)N2CCCN(C[C@@H](O)C(F)(F)F)CC2)cc1 97141614 QWGLYHJIPBKTFX-CQSZACIVSA-N 346.349 1.766 0 40 EDAB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccccc2)C1=O 1611207 DEAFEYNFQHJCBC-JKSUJKDBSA-N 338.363 1.845 0 40 EDAB in-vitro CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NC1CC1 22252497 KTPVXSMGEMBYMY-UHFFFAOYSA-N 342.417 1.382 0 40 EDAB COc1ccc(CNc2nc(NCCCO)c3cnn(C)c3n2)cc1 20744634 BCEHUXDSDCCQBT-UHFFFAOYSA-N 342.403 1.778 0 40 EDAB CCCCNC(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O 57507196 GVSXRPFQFZUNJL-UHFFFAOYSA-N 340.387 1.551 0 40 EDAB O=C(Nc1ccccn1)C1CCN(C(=O)c2ccc[nH]c2=O)CC1 12669000 WDPABVURDILQKK-UHFFFAOYSA-N 326.356 1.261 0 40 EDAB CCN(C(=O)CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1)C1CC1 57843508 YMIAAQKNQUIHDR-GFCCVEGCSA-N 339.461 1.338 0 40 EDAB Cc1nnc2ccc(NCCS(=O)(=O)Cc3ccccc3)nn12 58179758 JMPZLCJWWHXMCS-UHFFFAOYSA-N 331.401 1.460 0 40 EDAB CN(C)c1ccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)cn1 44895087 XZFBCCJQNSBYKE-AWEZNQCLSA-N 327.388 1.886 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)Nc2ccccc2)CC1 10259667 NKUYTKZYXKQJDN-UHFFFAOYSA-N 340.449 1.423 0 40 EDAB COc1ccc(N2C(=O)[C@@H]3ON=C(C(=O)c4ccco4)[C@H]3C2=O)cc1 100355166 KSPXJRDIKWFAOB-IUODEOHRSA-N 340.291 1.415 0 40 EDAB COC(=O)CNC(=O)c1sc(N(C(C)=O)C2CCCC2)nc1C 44920955 RXKUFTKVCLJIQG-UHFFFAOYSA-N 339.417 1.650 0 40 EDAB O=C1C[C@H](C(=O)NCCNc2ncccn2)c2ccc(F)cc2N1 44917719 XRRHSDYEXPXSKP-LBPRGKRZSA-N 329.335 1.270 0 40 EDAB C[C@H](NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccccn1 44966520 SJUPHLLVMYYMPV-ZMSDIMECSA-N 348.447 1.179 0 40 EDAB CC1(C)NC(=O)N(CCN2CCN(c3ccccc3F)CC2)C1=O 28081185 UORHPLVSNHXYDW-UHFFFAOYSA-N 334.395 1.278 0 40 EDAB C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](C)c1nncn1C 58417976 BRSAQQPJXZRQCS-WGVUZWOWSA-N 327.388 1.210 0 40 EDAB Cc1ncc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cn1 108529885 CFLOKSBTWRUUSU-IEBWSBKVSA-N 344.459 1.636 0 40 EDAB CCc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)s1 36391111 ZUYHKCGNGNTKPE-UHFFFAOYSA-N 330.475 1.598 0 40 EDAB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCSCC3)ccc21 57280291 LBJUEHFTYXVYSE-UHFFFAOYSA-N 340.470 1.678 0 40 EDAB O=S(=O)(N[C@@H]1CCN2CCCC[C@H]12)c1ccc2c(c1)OCCO2 36389853 DSNKIZRSCCQRHL-ZIAGYGMSSA-N 338.429 1.363 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCOc1cccc(Cl)c1 69925573 GZKMZWHRFOHQBL-NSHDSACASA-N 348.852 1.793 0 40 EDAB Fc1cnc(N2CC[C@H]3OCCN(Cc4ccncc4)[C@@H]3CC2)nc1 107255178 QMJKMJSJHHZVIW-IAGOWNOFSA-N 343.406 1.881 0 40 EDAB CC(=O)c1c[nH]c(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1 10997705 AWXPJVVMAPXQBP-CYBMUJFWSA-N 332.381 1.866 0 40 EDAB C[C@H](Sc1nnnn1-c1ccccc1)C(=O)NCC(F)(F)F 10965249 AWBXYEGFBVSQBV-QMMMGPOBSA-N 331.323 1.821 0 40 EDAB CCCOC(=O)CN1C(=O)c2ccc(C(=O)OCCC)cc2C1=O 2480876 WHNBRQHXZZZHHQ-UHFFFAOYSA-N 333.340 1.803 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)c1ccc(O)nn1)c1cccc(F)c1 29079819 SCCCTWOGAXXJKM-AWEZNQCLSA-N 327.319 1.574 0 40 EDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCCC[C@H]3C)cnc21 29606807 RBLAPPGRYMEMJU-MFKMUULPSA-N 330.388 1.413 0 40 EDAB CC(C)c1nc(CC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cs1 46788371 LKRMJOXQGDLYOI-LLVKDONJSA-N 345.490 1.349 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)NCCOc1ccc2c(c1)OCO2 47130388 VYXXZQYCDKUWSY-CYBMUJFWSA-N 336.388 1.862 0 40 EDAB COc1ccccc1/C=C/CN[C@H]1CCN(S(C)(=O)=O)C[C@H]1C 72300540 HDNSFQLTSXQSTB-BIYNOUFRSA-N 338.473 1.968 0 40 EDAB CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 6169355 SHOSFKNVPHBIAH-UHFFFAOYSA-N 330.365 1.494 0 40 EDAB COc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1F 5186882 VYWGEELXMGKKLX-UHFFFAOYSA-N 349.339 1.862 0 40 EDAB Cc1cccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)c1C 4711375 LUAGTPKAQVAJRR-UHFFFAOYSA-N 347.440 1.781 0 40 EDAB O=C(NCCOCC1CC1)N1CCC[C@@H](CN2CCOCC2)C1 69953750 PGJWDEOMEDZETL-INIZCTEOSA-N 325.453 1.167 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 15083217 HUFGRJPXPTUJFX-HACGYAERSA-N 334.347 1.873 0 40 EDAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CCN(C)C1=O 80702271 OXCISUOMTHQJFH-SSDOTTSWSA-N 336.339 1.534 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(Cc3nc4ccccc4n3C)C2)C1=O 84597420 YWVVCDXIBPZIQX-SFHVURJKSA-N 341.415 1.478 0 40 EDAB C[C@@H]1Oc2ccc(NC(=O)CNC(=O)c3ccccc3)cc2NC1=O 8014153 VHHTVLIILKJIHN-NSHDSACASA-N 339.351 1.775 0 40 EDAB O=C1N=C(O)C[C@@H]1N(C(=O)C1=NO[C@H](c2ccccc2)C1)C1CC1 96703778 XSASFUBARNVCNU-KBPBESRZSA-N 327.340 1.750 0 40 EDAB C[C@H]1CN(C2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)CCO1 70039842 VDMZQOCVCAGURF-AWEZNQCLSA-N 332.448 1.473 0 40 EDAB O=C(CNCCn1cccn1)NC1CCN(Cc2ccccc2)CC1 70011607 PRRSLMGHNNVCBZ-UHFFFAOYSA-N 341.459 1.254 0 40 EDAB CN1CCO[C@H](CNC[C@H](O)COCc2ccccc2Cl)C1 69570228 PUBFMGYUUHVNQJ-LSDHHAIUSA-N 328.840 1.138 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 69669733 FGLCZLKOFYQFKM-NEPJUHHUSA-N 329.404 1.586 0 40 EDAB Cc1ccc(CNC(=O)CN2CCc3ccccc3[C@@H]2C(N)=O)cc1 69623585 KCXXCQXGZRISTM-LJQANCHMSA-N 337.423 1.696 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)[C@H](C)n2cccn2)CC1 69778640 SRJNAWAOFDACOD-HNNXBMFYSA-N 330.436 1.395 0 40 EDAB CCCCn1nnnc1CNC[C@@H]1CCc2nnc(C(C)C)n2C1 69704312 GLUSSVLQIWZOTO-ZDUSSCGKSA-N 332.456 1.540 0 40 EDAB CCNS(=O)(=O)NCc1ccc(COCC(F)(F)F)cc1 69811112 NWLQAPNJFDACJR-UHFFFAOYSA-N 326.340 1.709 0 40 EDAB Cn1cnc(CNC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)n1 92376830 AJELYYOBKLKKKM-KRWDZBQOSA-N 336.399 1.931 0 40 EDAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccc(C)o2)NC(=O)N[C@H]1C 22864154 VKUPEGSRTPAUNA-AEZGRPFRSA-N 348.355 1.663 0 40 EDAB O=C(COCC1CC1)Nc1cc(S(=O)(=O)NC2CC2)ccc1F 72292715 NYFQIBBZEKDZNB-UHFFFAOYSA-N 342.392 1.632 0 40 EDAB Cc1ccc(NC(=O)Cn2nnn(-c3ccccc3)c2=O)c(F)c1 8940777 NNJFFUUDGNKOKR-UHFFFAOYSA-N 327.319 1.515 0 40 EDAB CCc1nccn1[C@@H]1CCCN(C(=O)CN(C)c2cnccn2)C1 72234631 CHAUDILIVAVOKL-CQSZACIVSA-N 328.420 1.535 0 40 EDAB CCCCCS(=O)(=O)N1CCN(c2nc(CC)ns2)CC1 95408611 MZYRIVGLKBWPEH-UHFFFAOYSA-N 332.495 1.743 0 40 EDAB C[C@H](C[C@H](O)c1ccco1)NC(=O)NCc1cnc(N(C)C)n1C 95413600 WHIWKOJRGRQNNL-YPMHNXCESA-N 335.408 1.391 0 40 EDAB O=S(=O)(CC[C@@H]1CCCO1)N1CCN(Cc2ccco2)CC1 95415190 QGVXLMKGCHPHIC-AWEZNQCLSA-N 328.434 1.296 0 40 EDAB CC(C)[C@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)n1nnc(-c2ccccc2)n1 95976842 HEPGWQIVIQQQFI-NUEKZKHPSA-N 341.415 1.590 0 40 EDAB Cc1ccc(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)cn1 89652228 KHLWCFCUWWWNSO-QGZVFWFLSA-N 339.395 1.434 0 40 EDAB COCC(=O)N(C)CC(=O)N1CCCc2cc(Cl)cc(F)c21 89765665 MRQNIOFCPZJCMT-UHFFFAOYSA-N 328.771 1.863 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C12CCC2 89985970 WIBUOEIOKCSZPD-OLZOCXBDSA-N 329.404 1.819 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CC(=O)NCCc3ccccc3C)CCO2)n1 76049108 BORNMGXLTZFOSG-INIZCTEOSA-N 343.431 1.154 0 40 EDAB CCOC[C@@H]1CCN(C)C2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 306143750 YLJBKUOXPNDLKE-QAPCUYQASA-N 344.455 1.949 0 40 EDAB Cc1c2ncn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2nn1C 32647445 XLQPLNWEZVTXBZ-UHFFFAOYSA-N 331.763 1.731 0 40 EDAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c(C)c1 62720381 RZTWIRBCENJDMF-LLVKDONJSA-N 339.399 1.828 0 40 EDAB CN(CCN1CCCCC1)C(=O)[C@H](Cc1ccccc1)n1cnnn1 36753055 ABHVFGMUFSOVJB-KRWDZBQOSA-N 342.447 1.401 0 40 EDAB Brc1cnc2ccc(N3CC[C@@H](n4cncn4)C3)nn12 1522916686 IJKOLABLQQVVSP-SECBINFHSA-N 334.181 1.535 0 40 EDAB CCCCCNC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O 521394389 ZXWOLNJGBYLNKR-UHFFFAOYSA-N 333.388 1.871 0 40 EDAB O=C(O)[C@@]12CCC[C@H]1CN(C(=O)[C@@]1(c3ccccc3)CCNC1)C2 521396623 AUNMAFFBHFIMNV-ZYSHUDEJSA-N 328.412 1.631 0 40 EDAB COc1cc(OC)c2[nH]cc(C(=O)NC[C@@H]3CCCO3)c(=O)c2c1 35289159 TUAVKVWOQSZZOR-JTQLQIEISA-N 332.356 1.454 0 40 EDAB CC(=O)Nc1ccc(OCc2nc(C)c(CC(=O)O)c(=O)[nH]2)cc1 217390858 CRNSPRCLXUQIIY-UHFFFAOYSA-N 331.328 1.243 0 40 EDAB O=C1C[C@H](N2CCOCC2)C(=O)N1c1ccccc1Br 36635173 CAYBOHVXLZVMIX-LBPRGKRZSA-N 339.189 1.413 0 40 EDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC)cc1Cl 39986476 DZVKXTLHBSNAAX-UHFFFAOYSA-N 334.825 1.495 0 40 EDAB COc1ccc(NC(=O)Nc2cc(N3CCN(C)CC3)ncn2)cc1 75166229 DSVQEVIERDUUKZ-UHFFFAOYSA-N 342.403 1.881 0 40 EDAB O=C1CO[C@@H]2CN(Cc3cccnc3)C[C@H]2N1Cc1ccc(F)cc1 211706192 BRCNNWCMNJROKV-QZTJIDSGSA-N 341.386 1.833 0 40 EDAB COc1cccc(CNC(=O)C(=O)NC[C@@H](O)c2sccc2C)c1 70635816 YUVYTJICFDRJPG-CQSZACIVSA-N 348.424 1.531 0 40 EDAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc2c(c1)OCO2 218149722 QMVAOSZZTJCWOU-KKUMJFAQSA-N 327.402 1.050 0 40 EDAB CCOc1ccc(NC(=O)Cn2nc3c(cc2=O)CO[C@@H]3C)cc1 72342368 YFOFAWYKTVGRCL-LLVKDONJSA-N 329.356 1.872 0 40 EDAB CCN1C(=O)COc2ccc(S(=O)(=O)Nc3nccs3)cc21 227161985 GQSACQRHWUBCCP-UHFFFAOYSA-N 339.398 1.689 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2O)C1 530007610 YILJUVWSBCKPPI-JTQLQIEISA-N 330.381 1.532 0 40 EDAB O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)[C@H]1C[C@H]1c1ccco1 84838800 HVWLGKDBFBSPKW-KGLIPLIRSA-N 338.429 1.456 0 40 EDAB Cc1nn(C)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)nc12 41124229 QATCLBCQSGXTIM-UHFFFAOYSA-N 327.344 1.488 0 40 EDAB CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 83010487 QNYBGZLGZAIQCR-ILZDJORESA-N 344.455 1.042 0 40 EDAB NC1[C@H]2CCC[C@H]1CC(C(=O)N1CCNC[C@H]1c1ccncc1)C2 333646321 VDBCGVRUMOXRRF-IBRUTMJSSA-N 328.460 1.708 0 40 EDAB COCCN1C(=O)C2(CCN([C@H]3CCOC3)CC2)c2ccccc21 96161120 ZLFGNJWALGGWCF-HNNXBMFYSA-N 330.428 1.802 0 40 EDAB O=C(c1ccno1)N1CCO[C@H]2[C@@H]1CC[C@@H]2COc1ncccn1 96250019 HTSQRWWOJZIYPQ-MBNYWOFBSA-N 330.344 1.163 0 40 EDAB O=C1NC[C@@H](COc2ccccn2)[C@]12CCN(Cc1cccnc1)C2 96218237 CISZDVJZBZYPCA-QFBILLFUSA-N 338.411 1.494 0 40 EDAB CCN(C)C[C@H](O)CN1CCc2c(ncn2-c2ccc(F)cc2)C1 579728464 KTXNRZGYKPFZQQ-INIZCTEOSA-N 332.423 1.682 0 40 EDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)Cc1ccccn1 96045361 XHYYAARZYFTJJI-INIZCTEOSA-N 341.415 1.398 0 40 EDAB C[C@@](O)(CNC(=O)NCc1cccc(-n2cncn2)c1)c1ccco1 96440428 VUTHIBZNZQYBPR-QGZVFWFLSA-N 341.371 1.567 0 40 EDAB CC(C)[C@H](C(=O)N1CCC[C@H](S(C)(=O)=O)CC1)N1CCCCC1 332310652 KGBWLEQEVPOEJD-JKSUJKDBSA-N 344.521 1.923 0 40 EDAB CO[C@H]1CCN(C(=O)CC2CC2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96111073 XWROOGPNASEYIW-KSZLIROESA-N 329.444 1.929 0 40 EDAB Cc1noc([C@@H](C)N2CCN(c3ccnc4c3c(C)nn4C)CC2)n1 333899079 YUDNPVISOKLXAB-GFCCVEGCSA-N 341.419 1.851 0 40 EDAB COc1ccccc1CN1C[C@H]2OC[C@H](C(=O)N3CCCO3)[C@H]2C1 96216856 MROSAFPJZPCBEM-HLLBOEOZSA-N 332.400 1.306 0 40 EDAB Cn1cc([C@@H]2C[C@H](NS(=O)(=O)CCc3ccccc3)CCO2)cn1 583651077 DWGOQEOFLYXJMQ-SJORKVTESA-N 349.456 1.802 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 583616362 IXVCHBOBIYSUQX-ZNMIVQPWSA-N 329.393 1.376 0 40 EDAB CN(C(=O)N1CCC(NC(=O)N2CCOCC2)CC1)C1CCCC1 583650839 ACQXLZKCTHHWAR-UHFFFAOYSA-N 338.452 1.487 0 40 EDAB CC(C)n1cc(S(=O)(=O)NCc2cccc(-n3cncn3)c2)cn1 96428082 PCFCKGVNDMUTFP-UHFFFAOYSA-N 346.416 1.523 0 40 EDAB Cc1ccc(CN2Cc3ccnn3[C@@H](C(=O)N3CCCCO3)C2)o1 248053008 BNYHENVFTZAAHC-MRXNPFEDSA-N 330.388 1.895 0 40 EDAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257227438 FPHJZNWNWWSCKS-SLFFLAALSA-N 346.471 1.696 0 40 EDAB CC(C)(C)OC(=O)N1CCC(NC(=O)[C@@H]2CCCNC2=O)CC1 585089481 QFIUZONGUJLNOS-GFCCVEGCSA-N 325.409 1.028 0 40 EDAB CN=[S@](C)(=O)c1cccc(NC(=O)COC[C@H]2CCCO2)c1 585091016 LNSIROXWKAARCC-MCMMXHMISA-N 326.418 1.907 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)CCCn3cccn3)CCO2)ncn1 257263485 LQBUMVFYQMFQKB-QGZVFWFLSA-N 343.431 1.622 0 40 EDAB Cc1cc(N)cc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257285255 PGHPAGSIOMLMJV-INIZCTEOSA-N 330.388 1.720 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257316198 VEONSPBEZIAFAW-OAHLLOKOSA-N 339.399 1.975 0 40 EDAB COc1ccccc1CN1CCN(C2CCOCC2)C[C@H](C(N)=O)C1 257319520 VSXJBJMRXNGBIA-MRXNPFEDSA-N 347.459 1.093 0 40 EDAB Cc1nc(C(=O)N(C)C[C@]2(O)CCCN(c3ccc(F)cn3)C2)co1 257216227 CTPYGLOFZROHDS-QGZVFWFLSA-N 348.378 1.621 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)n1 257260384 LCPVKBKUXBCKED-AWEZNQCLSA-N 344.371 1.571 0 40 EDAB COCc1c(C(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)noc1C 257232812 GMNPIZDGFCHFNG-HNNXBMFYSA-N 346.387 1.629 0 40 EDAB CNc1cc([C@H]2CCCN2C(=O)Cn2nc(C)ccc2=O)ccn1 257315244 VANCAPLGJMWYLY-CQSZACIVSA-N 327.388 1.352 0 40 EDAB CCO[C@H]1C[C@@](NC(=O)c2cnn3ccccc23)(C(=O)O)C1(C)C 262858100 YNNXZNUQVXEOSU-SUMWQHHRSA-N 331.372 1.723 0 40 EDAB NC[C@@H](NC(=O)[C@H](N)C1CCOCC1)c1ccc2ccccc2c1 261916898 YFSMIYSKTWPBCH-QZTJIDSGSA-N 327.428 1.710 0 40 EDAB CCOC(=O)[C@]1(C)CN(Cc2ccc(N3CCCC3)nc2)CCO1 602745403 GRDZPMXWNOMRGD-SFHVURJKSA-N 333.432 1.836 0 40 EDAB COCCNS(=O)(=O)c1cc(F)ccc1NCC1CCOCC1 1615050923 NTTPLDYZSACUPE-UHFFFAOYSA-N 346.424 1.589 0 40 EDAB CN(C(=O)[C@@H]1CSCN1S(=O)(=O)[C@@H]1C[C@H]2CCC[C@@H]21)C1CC1 1615606338 WLTFGYDYQHFUND-VZZFWQQMSA-N 344.502 1.501 0 40 EDAB CC1(C)CC[C@H](CNC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C)C2)O1 1615613968 CNWKWBCBJDYYHO-JMSVASOKSA-N 330.450 1.020 0 40 EDAB O=C(NC[C@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1)c1ccncc1 575406678 ZRDBWCCHHLDNOL-CQSZACIVSA-N 343.427 1.619 0 40 EDAB O=C(c1cc[nH]n1)N1CC2(C[C@H](OCc3cccnc3)CCO2)C1 575403336 HMXYWDOQFHAFDF-CQSZACIVSA-N 328.372 1.395 0 40 EDAB COc1nn(C)cc1C(=O)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148876 KKOZABQSUGZXLY-CQSZACIVSA-N 327.384 1.993 0 40 EDAB CCN(Cc1ccc(-n2cccn2)cc1)C[C@@H]1COC[C@@H](O)[C@H]1O 585291193 MYORWVHZTZRBNV-NXHRZFHOSA-N 331.416 1.062 0 40 EDAB CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@H](C(=O)O)c2ccccc21 669434411 RKEGKVJNFIQJLI-LBPRGKRZSA-N 339.413 1.805 0 40 EDAB O=C(C1CC(F)C1)N1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1 585094646 GQJSESMWOOZXHH-YIZWMMSDSA-N 336.367 1.069 0 40 EDAB Fc1cccnc1OC[C@H]1CCn2nccc2CN1Cc1cn[nH]c1 585098153 VDGKYTXKWSNMMZ-OAHLLOKOSA-N 342.378 1.994 0 40 EDAB CC(C)(O)C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111232 KNROCXVDTHZTND-HNNXBMFYSA-N 329.400 1.432 0 40 EDAB CC(=O)N1CCC(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)CC1 585271966 JDSBAXVYLGHWGI-IBGZPJMESA-N 346.427 1.287 0 40 EDAB C[C@@H]1C[C@H](N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)C(=O)O1 44741841 JQJYDZSEEDBVPM-ZBFHGGJFSA-N 330.428 1.812 0 40 EDAB COC(=O)c1cc(N2CC(O)C2)c2cc(Br)ccc2n1 77489899 HUQJPVPMIJNKPQ-UHFFFAOYSA-N 337.173 1.965 0 40 EDAB O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc2[nH]ccc2c1 84490477 PUTOLJWYHQSZHP-UHFFFAOYSA-N 347.440 1.854 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)NCCc1ccccn1 42964580 BQHJYEMQAQSUND-GFCCVEGCSA-N 344.337 1.477 0 40 EDAB C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CC[C@@H](C(N)=O)C1 106824340 HALNXDUVSJMYJZ-CRAIPNDOSA-N 343.471 1.663 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)O 1579833 RKKAECASDDATIR-BZPMIXESSA-N 336.388 1.917 0 40 EDAB O=S(=O)(NCC1(O)CSCCSC1)c1cccs1 1888994976 XZKJVDQRZPMXPB-UHFFFAOYSA-N 325.502 1.238 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1)c1cccn1C 11897875 KSTXFPBYIRRIIM-HNNXBMFYSA-N 325.409 1.745 0 40 EDAB Cc1csc2nc3n(c(=O)c12)CCN(Cc1cnc(C)n1C)CC3 12088367 GZOFKIBTTJFBSJ-UHFFFAOYSA-N 343.456 1.867 0 40 EDAB COc1ccc(CN2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)cc1 12184540 IDEAFPHYESVJNO-UHFFFAOYSA-N 340.427 1.937 0 40 EDAB CC[C@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1 12233660 MWBOTACODMMJAX-LBPRGKRZSA-N 327.388 1.627 0 40 EDAB Cc1ccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)c(C)c1 12391655 ISMIHPLQCUWGTF-UHFFFAOYSA-N 325.372 1.914 0 40 EDAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2ccccc2F)n1 13960258 SCCKDFZGMNKFEP-XRGAULLZSA-N 341.342 1.737 0 40 EDAB CC1(C)S[C@@H]2[C@@H](NC(=O)Nc3ccccc3)C(=O)N2[C@@H]1C(=O)O 16577307 LSCPNHFIESJHDY-HOSYDEDBSA-N 335.385 1.324 0 40 EDAB Cc1ccc(NC(=O)CN2CCN(C)CC2)cc1Br 19213461 GFGYQAVIITWIFY-UHFFFAOYSA-N 326.238 1.943 0 40 EDAB CCCNC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 3415225 MDXPYXCGVHZGQZ-VOTSOKGWSA-N 337.372 1.795 0 40 EDAB NCC1(O)CCN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)CC1 518390635 DCSSCQJLFFXZOK-UHFFFAOYSA-N 336.342 1.281 0 40 EDAB O=C(CCn1c(=O)oc2ccccc21)NCCCN1CCCC1=O 4121549 MJANRQPGRNPFDV-UHFFFAOYSA-N 331.372 1.113 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1C[C@H]2C[C@H]1CS2 575607807 POSOOJARPQSFRN-WDEREUQCSA-N 327.427 1.726 0 40 EDAB Cc1noc([C@H]2CN(Cc3cc(Br)c[nH]3)CCN2C)n1 583650760 AJFRPRVWOFVBAQ-GFCCVEGCSA-N 340.225 1.957 0 40 EDAB CC(=O)N1CCN(Cc2ccc3cc[nH]c3c2)C[C@H](C(=O)N(C)C)C1 1848352045 UVOZXMWXYNWSMA-KRWDZBQOSA-N 342.443 1.536 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)C(C)(C)C)cc1 3312584 XBNCICWNPJATOE-UHFFFAOYSA-N 327.402 1.709 0 40 EDAB Cc1cc2c(N3CCC[C@@H](NS(=O)(=O)C4CC4)C3)nccn2n1 1889118397 AVQNNNAGWUMJCV-GFCCVEGCSA-N 335.433 1.088 0 40 EDAB Cn1c(S[C@@H]2CCOC2=O)nnc1[C@H]1COc2ccccc2O1 21958482 PLXVHTHKIBBCBB-VXGBXAGGSA-N 333.369 1.735 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1cccnc1)C2=O 23874588 BDCILJFVSUTIGY-SCLBCKFNSA-N 344.415 1.241 0 40 EDAB Cc1ccc(N2N=C(C(=O)NC(C3CC3)C3CC3)NCC2=O)cc1 24654347 GNEXNFJVELTCRN-UHFFFAOYSA-N 326.400 1.550 0 40 EDAB CCCCn1c(SCc2cc(=O)n3ccc(C)cc3n2)n[nH]c1=O 24755157 RUHQBLWATQSXHL-UHFFFAOYSA-N 345.428 1.980 0 40 EDAB O=C(Cn1nc2ccccn2c1=O)Nc1cccc(-c2nnco2)c1 24739957 WQEUUDQJECTYBY-UHFFFAOYSA-N 336.311 1.185 0 40 EDAB O=C(CCN1CCCCC1)N1CC[C@H](c2ccnc3nccn23)C1 2037709937 VXVUGPIFHJBCEQ-HNNXBMFYSA-N 327.432 1.921 0 40 EDAB CC(C)N1C[C@]2(COCC1=O)CN(Cc1ccc(F)cc1)CCO2 2037981026 QVBHVBLJFIAXHA-SFHVURJKSA-N 336.407 1.664 0 40 EDAB O=C1C[C@H](c2cccnc2)C2(CCN(C(=O)c3csnn3)CC2)N1 1565553279 RMXUGMXYSHHKGU-GFCCVEGCSA-N 343.412 1.212 0 40 EDAB COc1ccccc1NC(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1 4941330 MIWGGAUNLKQDOY-CYBMUJFWSA-N 348.399 1.826 0 40 EDAB Cc1cccc(C(=O)N2CCC(C(=O)N(C)C)(n3cccn3)CC2)c1 2055772144 AWUPTZRYGHCVCR-UHFFFAOYSA-N 340.427 1.911 0 40 EDAB O=S(=O)(Cc1cc(F)ccc1F)NCCn1ccn2nccc12 206747029 OFEJQJUSWFRKMZ-UHFFFAOYSA-N 340.355 1.534 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 44227183 MKGHOLSNUZAIJR-CYBMUJFWSA-N 338.429 1.090 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2cn[nH]c2c1 49027228 RROVNVKMZIJYCC-UHFFFAOYSA-N 335.323 1.205 0 40 EDAB COc1nn(C)cc1C(=O)NCCn1nc(C)c(-c2ccco2)c1C 575615358 NWAICOOYTXRKRG-UHFFFAOYSA-N 343.387 1.932 0 40 EDAB C[C@@H](NC(=O)c1cn(C[C@H](O)c2cccs2)nn1)c1ccncc1 575605674 CJVRFQFRNVTROV-RISCZKNCSA-N 343.412 1.959 0 40 EDAB Cc1nc(N2CCN(Cc3cnn(C)c3)[C@H](C)C2)c2ccncc2n1 2298049971 CHTCRDKIPBLMIY-CYBMUJFWSA-N 337.431 1.777 0 40 EDAB COCC(=O)N1CCC[C@@H]1C(=O)c1cnn(-c2ccccc2)c1N 19592810 LSAANNKPJYQFPG-CQSZACIVSA-N 328.372 1.275 0 40 EDAB CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 2128284 PHKUSXBBVSULHF-PASDCYSWSA-N 327.380 1.922 0 40 EDAB biogenic COCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)cn1 40512048 RNBJTNZAVDLIEN-CYBMUJFWSA-N 333.388 1.304 0 40 EDAB CN(C(=O)c1cc(-c2cccc(F)c2)no1)[C@@H]1CCS(=O)(=O)C1 40513030 DIODFEQLAANFJD-GFCCVEGCSA-N 338.360 1.740 0 40 EDAB CC(=O)NCCNC(=O)Nc1ccccc1I 40525533 ARSFZZKRCVDXTE-UHFFFAOYSA-N 347.156 1.549 0 40 EDAB NC(=O)[C@H]1CN(C(=O)Nc2ccccc2N2CCCCCC2)CCO1 51587834 SYXRKIGIKUZAFT-MRXNPFEDSA-N 346.431 1.785 0 40 EDAB Cc1cc(O)c2c(C)c(CC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2c1 20609886 ZLUNRDXHDSIHNB-INIZCTEOSA-N 347.367 1.883 0 40 EDAB biogenic O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1cc(=O)[nH]c2nc3ccccc3n12 101346592 QCILBAVXXQIPLW-GHMZBOCLSA-N 334.335 1.631 0 40 EDAB COC(=O)c1cc(CN[C@H](C(N)=O)c2ccccc2)ccc1OC 32879080 REHURFOWBRDRNM-INIZCTEOSA-N 328.368 1.798 0 40 EDAB O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@@H]1CC(=O)N(C2CC2)C1 32931167 NAOPEMBOAHZMBN-SECBINFHSA-N 343.305 1.972 0 40 EDAB COc1ccccc1[C@H](O)CNC(=O)NCc1cccnc1OC 41440988 QRLJPEVVMJJHNQ-CQSZACIVSA-N 331.372 1.632 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1 41618636 TUQDNKOIKOBSQP-BETUJISGSA-N 325.434 1.207 0 40 EDAB Cc1cc(C(N)=O)ccc1NC(=O)Cn1c(=O)cnc2ccccc21 41931667 UOBIMWDDBVFENO-UHFFFAOYSA-N 336.351 1.443 0 40 EDAB C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CCCCC2)C[C@@H](C)O1 53526166 AXSBSHDCPURUAO-IYBDPMFKSA-N 339.480 1.840 0 40 EDAB O=C1NC(=O)[C@@H](CCC(=O)OCc2cc(F)cc3cccnc23)N1 47704213 OLXREHZSIQPTGT-GFCCVEGCSA-N 331.303 1.405 0 40 EDAB CC(C)c1nnc2n1CCN(C[C@H](O)COCc1cccs1)C2 72253944 MGDYPHVTSGTLJA-ZDUSSCGKSA-N 336.461 1.856 0 40 EDAB CCN1C[C@H](C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)CC1=O 78935733 UIVAKLHSIFTHGJ-IKGGRYGDSA-N 330.428 1.970 0 40 EDAB CNC(=O)CN1CCC(NCc2cnc(C)n2-c2ccccc2)CC1 78965829 NPQMGETZCHWWOX-UHFFFAOYSA-N 341.459 1.481 0 40 EDAB O=C(CS(=O)(=O)c1ccccc1)CS(=O)(=O)c1ccccc1 1572703 RIMXXXXGJMPHLY-UHFFFAOYSA-N 338.406 1.503 0 40 EDAB COc1ccccc1NC(=O)COC(=O)CNC(=O)c1ccccc1 1972486 KAPOIHKOWDMSSC-UHFFFAOYSA-N 342.351 1.607 0 40 EDAB COc1cccc(OCC(=O)OCCNC(=O)c2cccnc2)c1 2679821 DYGRRUWAAVUZTB-UHFFFAOYSA-N 330.340 1.442 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1c1ncnc2c1cnn2-c1ccccc1 42740168 KXWPTEZMTABQTD-STQMWFEESA-N 336.399 1.906 0 40 EDAB Cc1nn(CCC(=O)NCCCN2CCCC2=O)c(C)c1Cl 6526319 BDONFPDVHVYDHW-UHFFFAOYSA-N 326.828 1.672 0 40 EDAB COc1ccc(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)cn1 48018390 ZQAOWYYHGPJPED-UHFFFAOYSA-N 335.385 1.815 0 40 EDAB COCCN(CCOC)C(=O)COC(=O)c1cccc(N(C)C)c1 3251493 WAQHUKLPSSXUPO-UHFFFAOYSA-N 338.404 1.031 0 40 EDAB O=C(CN1CCC[C@H](Cn2cncn2)C1)N1CCO[C@H]2CCCC[C@H]21 106782987 MXNLQVWZXUIHNS-BBWFWOEESA-N 347.463 1.160 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(C[C@@H](O)COc3ccccc3)CCO2)n1 106908157 GROJMNXJFOSZCW-AEFFLSMTSA-N 346.431 1.036 0 40 EDAB O=C(NC[C@H]1COCCO1)c1cnn(-c2ccccc2)c1C1CC1 55847290 JGZZMAZOYCFRFO-HNNXBMFYSA-N 327.384 1.895 0 40 EDAB Cn1c(CNS(=O)(=O)Cc2ccc(F)cc2)nnc1C1CCC1 97103999 FPPUALTVEZQXKE-UHFFFAOYSA-N 338.408 1.841 0 40 EDAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 56082797 YXDMVGIWQUWWGU-CYBMUJFWSA-N 327.388 1.614 0 40 EDAB CCN(CC)C[C@H]1CCCC[C@H]1NCCn1nc2ccccn2c1=O 97164314 LZRDGHDOXRVXKN-IAGOWNOFSA-N 345.491 1.986 0 40 EDAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1 57525655 XIWRVQKRYHGJBA-UHFFFAOYSA-N 337.379 1.672 0 40 EDAB COc1ccc(CN2CCN(C(=O)Cn3cccn3)CC2)cc1OC 48289741 RHHYIHUGCCKKSA-UHFFFAOYSA-N 344.415 1.245 0 40 EDAB CC(C)COC(=O)N1CCCN(C(=O)c2ccc3[nH]nnc3c2)CC1 58209255 YLTDFOQKPHNEEQ-UHFFFAOYSA-N 345.403 1.898 0 40 EDAB Cc1cnn(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 55115639 LJDQIZPXTTVWIO-UHFFFAOYSA-N 326.400 1.744 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)[C@H]2CCCO2)s1 48331439 SEELFSDSWNVEKG-GXSJLCMTSA-N 347.462 1.023 0 40 EDAB Cn1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1=O 45641073 DWGXVDUBGQBYNV-GOSISDBHSA-N 326.396 1.971 0 40 EDAB O=C1SCCN1CC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 29249565 QERSOMDRGUYLLB-LBPRGKRZSA-N 349.460 1.837 0 40 EDAB O=C1[C@@H]2CCCN2C(=O)N1CCN1CCN(c2ccccc2)CC1 53112852 NXSUCTUNEDZLOO-INIZCTEOSA-N 328.416 1.235 0 40 EDAB O=C(NCCn1nc2ccccn2c1=O)c1ccn(-c2ccccc2)n1 60556298 JLMWFTZLTZXFBN-UHFFFAOYSA-N 348.366 1.112 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCCSCC1 60844387 WKWMFEAPWJVJER-UHFFFAOYSA-N 329.443 1.976 0 40 EDAB COc1cc(C)ccc1[C@H]1[C@H]2[C@@H](NC(=O)N1C)N(C)C(=O)N[C@@H]2C 4026603 NAWGKDIMLGSLRQ-KJEVXHAQSA-N 332.404 1.686 0 40 EDAB biogenic Cc1cc(Br)c2c(c1)[C@@](O)(N1CCOCC1)C(=O)N2 4164606 CLPOYVVZGWRSFA-ZDUSSCGKSA-N 327.178 1.187 0 40 EDAB CN(CCn1cccn1)S(=O)(=O)c1cc(Cl)cc2c1OCC2 96009923 HFFOOGDNEFLOSP-UHFFFAOYSA-N 341.820 1.792 0 40 EDAB Cc1ccc(CN(C)C(=O)CNC(=O)c2ccc3c(c2)OCO3)o1 5173073 JPCYBJWLWGCPMD-UHFFFAOYSA-N 330.340 1.705 0 40 EDAB Cc1ccccc1C(=O)NCCNC1=NS(=O)(=O)c2ccccc21 4320614 WRUZZKNRSVBWRN-UHFFFAOYSA-N 343.408 1.464 0 40 EDAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)NC(C)(C)C 5210630 HWJXMNVALNUKMO-UVTDQMKNSA-N 343.387 1.438 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 14093359 JOXVHPDJPHKVLX-GXTWGEPZSA-N 338.429 1.610 0 40 EDAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(-c2nnn[nH]2)c1 14021378 OLCOTFVXNSMMRV-UHFFFAOYSA-N 333.315 1.095 0 40 EDAB CCS(=O)(=O)N(CC(=O)NC(C)(C)C)c1ccc(C(C)=O)cc1 65530866 KBESWALBTQQCPF-UHFFFAOYSA-N 340.445 1.960 0 40 EDAB Cc1cc(C)c(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)c(C(=O)O)c1 65610372 YEWMTHLNCJGTSJ-UHFFFAOYSA-N 338.341 1.829 0 40 EDAB CC(=O)N1CCC(C(=O)NCC(=O)Nc2cccc(C)c2C)CC1 14237940 VYYMKXADGAWEEP-UHFFFAOYSA-N 331.416 1.617 0 40 EDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)NC(=O)NC1CCCCC1 5492064 LPHIRQZTBDDVLI-UHFFFAOYSA-N 346.366 1.638 0 40 EDAB CC(=O)NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 9322912 CXMOESZOBJRUFW-UHFFFAOYSA-N 329.322 1.490 0 40 EDAB CCOC(=O)[C@@H]1CCCN(CC(=O)NCCOc2cccc(C)c2)C1 15259980 JWECXGOLGQMKJJ-MRXNPFEDSA-N 348.443 1.765 0 40 EDAB CCCCn1c(N)c(N(C)C(=O)c2cc(C)ccc2C)c(=O)[nH]c1=O 9451212 CSBFXBSKLSFHHM-UHFFFAOYSA-N 344.415 1.812 0 40 EDAB Cc1cc(=O)c(C(=O)NCC(=O)N(C)C)nn1-c1ccc(Cl)cc1 7243418 RHMZKICOHYBAMO-UHFFFAOYSA-N 348.790 1.012 0 40 EDAB CC(=O)N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(C)cc2C)C1=O 9419268 DEGXCIGWQXWVEE-ZDUSSCGKSA-N 329.278 1.754 0 40 EDAB CCCn1nnnc1COC(=O)c1cc(OC)c2c(c1)OCCO2 7307082 BRYHUFCVGAXFBY-UHFFFAOYSA-N 334.332 1.220 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)OCCO3)no1 9479622 QNDFIGPAQRMPNT-SNVBAGLBSA-N 332.312 1.938 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)CNC(=O)c1ccc2ccccc2c1 9503671 NKCCRNMZWRJBTN-UHFFFAOYSA-N 341.411 1.601 0 40 EDAB NC(=O)c1cccc(OCC(=O)N[C@@H]2CCc3c(O)cccc32)c1 69352101 OVKQIOXQNGXBLK-OAHLLOKOSA-N 326.352 1.674 0 40 EDAB Cc1cc(C)n(C[C@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)n1 69368319 OCOLUUJRNBETFJ-SJORKVTESA-N 328.416 1.427 0 40 EDAB Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3)nn12 8393381 JVOCTWHUZYSJBO-NSHDSACASA-N 325.328 1.617 0 40 EDAB C[C@@H](CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccccc1 8332563 AZFWOYMEOQAJJS-ZDUSSCGKSA-N 345.424 1.404 0 40 EDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)OC[C@@H]2C)c1 69454876 XXFJMWYVMOMCRF-UWVGGRQHSA-N 346.836 1.498 0 40 EDAB COc1cc(CNC[C@@H]2CN(C3CC3)CCO2)c2c(c1)C[C@H](C)O2 69589888 JFVFHRNORNLIJM-SCLBCKFNSA-N 332.444 1.971 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2CC(=O)N(C)c2nccs2)n1 69617383 PAOJSPCQMKWYGO-CQSZACIVSA-N 348.476 1.869 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 69658126 LIFCJYNFNZZYGQ-INIZCTEOSA-N 346.541 1.065 0 40 EDAB Cc1ccc(N2CCCN(C(=O)CCOCC(F)(F)F)CC2)nn1 69652061 PSUQDSPZRJWMKS-UHFFFAOYSA-N 346.353 1.793 0 40 EDAB CCCCn1nc(C(=O)N2CCNC(=O)CC2)c2ccccc2c1=O 71839609 JZVNOGWXAZTHCL-UHFFFAOYSA-N 342.399 1.159 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1ccccc1OCC(=O)NC)CC2 69740485 KHRSMSUBLJBRID-CQSZACIVSA-N 343.431 1.070 0 40 EDAB Cc1cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c(OC(F)F)cc1C 92008033 QLDBRJQMPBGYEQ-BXUZGUMPSA-N 328.359 1.979 0 40 EDAB C[C@H](NC(=O)[C@H](c1ccccc1)N1CCCC1)C(=O)N1CCOCC1 69844291 BSUFXVXTACSNMX-RDJZCZTQSA-N 345.443 1.187 0 40 EDAB NC(=O)c1cnn2c1NC[C@H](CN[C@H]1CCOc3ccccc31)C2 69816900 UWDOWUMKQFTRLL-FZMZJTMJSA-N 327.388 1.137 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)NCCc2ccc(F)cc2)cc1 18177618 JECCWASXKCEJTI-UHFFFAOYSA-N 337.376 1.837 0 40 EDAB Cc1ccc(N2CCC[C@H](NCc3ccc(C(N)=O)cc3)C2)nn1 71859778 ZKBUWNYRJMUPKE-INIZCTEOSA-N 325.416 1.643 0 40 EDAB C[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 8752959 SPVVRVJLSRTXNM-AWEZNQCLSA-N 338.477 1.254 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CCCCN1C(=O)c1cc(C(N)=O)cs1 71896618 RAUVCCRRNIXVDN-LLVKDONJSA-N 337.445 1.756 0 40 EDAB Cc1cc(C(N)=O)c(NC(=O)c2ncn(-c3ccccc3)n2)s1 92831664 DFQQEPLPPVCVIP-UHFFFAOYSA-N 327.369 1.988 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)c2csc(-c3nc[nH]n3)n2)cn1 72255021 AYQZUBWOXBSKDJ-LLVKDONJSA-N 329.389 1.639 0 40 EDAB CCCc1ccc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 71908947 SOXHUFBTZIUFPO-IBGZPJMESA-N 345.487 1.775 0 40 EDAB COCC[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 71920119 OGRHHMMFLOVJEV-SNVBAGLBSA-N 347.412 1.623 0 40 EDAB O=C(CN1CCC2(CCOCC2)C1)NC(=O)NCc1ccccc1 72898865 MRFKXHFLKWSKCU-UHFFFAOYSA-N 331.416 1.515 0 40 EDAB CC[C@H](CO)N(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 84733763 YVCWNPBAOUCVAK-HZPDHXFCSA-N 340.489 1.936 0 40 EDAB CCOc1ccnc(N2CCCN(Cc3nnc(C)n3C)CC2)n1 95425744 LTLKPMJQRYJCPJ-UHFFFAOYSA-N 331.424 1.025 0 40 EDAB O=S(=O)(Cc1ccc(Cl)nc1)N1CCCC[C@H]1c1nc[nH]n1 95455690 IJTZERYKUTUUQQ-NSHDSACASA-N 341.824 1.910 0 40 EDAB Cc1ccc(OCCNC(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)cc1 95962750 AEUKRZMFHPEAPX-WBVHZDCISA-N 345.443 1.884 0 40 EDAB Cc1nc2sccn2c1CN1CCC[C@@H](C(=O)N2CCOCC2)C1 95982406 CDONNDONURPISR-CQSZACIVSA-N 348.472 1.775 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ccc(-c3nnn[nH]3)cc2)cc1C 74803996 FZSFSOFDOQBUQL-UHFFFAOYSA-N 345.384 1.985 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCN2CCC(O)CC2)cc1Cl 89643360 FBXAYNGMSAIVFU-UHFFFAOYSA-N 346.880 1.774 0 40 EDAB CC(C)n1ccc(CN2CCCN(CC(=O)N3CCCC3)CC2)n1 89894112 PKTSHAZXJKILFU-UHFFFAOYSA-N 333.480 1.594 0 40 EDAB CCCNC(=O)[C@@H](C)N(C)C[C@@H](c1cccs1)N1CCOCC1 89959121 ZEJFETOIBIIDLK-CABCVRRESA-N 339.505 1.968 0 40 EDAB C[C@@H](Cc1ccccc1F)NC(=O)NC[C@@](C)(O)c1cnn(C)c1 89904224 LAMXPCNIEMGXER-YVEFUNNKSA-N 334.395 1.697 0 40 EDAB Cc1ccc(C)c([C@@H]2CN(CCCS(N)(=O)=O)[C@H](C)CO2)c1 75837098 RPZOSPHGNMRGDR-ZBFHGGJFSA-N 326.462 1.744 0 40 EDAB CN1CCCN(Cc2cc(=O)n(C)c(=O)n2C)c2cc(Cl)ccc21 76040277 QSXFPTBMYPUWOE-UHFFFAOYSA-N 348.834 1.584 0 40 EDAB CC(C)Cn1nc2n(c(=O)c1=O)C[C@@H]1CCN(Cc3ccco3)C[C@@H]21 306126823 FGGDICVUHDZZKD-DZGCQCFKSA-N 344.415 1.273 0 40 EDAB CC(=O)c1cccc(-n2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 62720415 SZMXLPQSDHSDOW-UHFFFAOYSA-N 337.339 1.176 0 40 EDAB Cc1nn(C)c2c(N3CCN(C(=O)c4ccncc4)CC3)ncnc12 28557381 KFWMDADGEHSZAV-UHFFFAOYSA-N 337.387 1.029 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)NC(=O)NC1CCCC1 25535759 BOSGPRLDGNSBRZ-UHFFFAOYSA-N 328.372 1.555 0 40 EDAB CCN(CC)C(=O)C1=C(C)N(C)C(=S)N[C@H]1c1csnn1 67028343 KIZDIORLJVWTFS-NSHDSACASA-N 325.463 1.542 0 40 EDAB CC1(C(=O)NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCCC1 69581746 RCCKHNDASHHAFO-UHFFFAOYSA-N 345.442 1.475 0 40 EDAB COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1OCC(=O)O 409040149 HKRWSPBWDNXEIP-POHAHGRESA-N 336.369 1.188 0 40 EDAB O=C(O)[C@H]1CN(C(=O)N2CCC(Cc3ccccc3)CC2)CCO1 324756584 TXVNKJYLXHJOFB-MRXNPFEDSA-N 332.400 1.847 0 40 EDAB CCN1CCN(C(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)CC1 36635260 GTAPPDVGJMZUPO-AWEZNQCLSA-N 347.440 1.809 0 40 EDAB COC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CC1 217442809 IBRNCTLTICDZHP-SECBINFHSA-N 328.390 1.272 0 40 EDAB COCCNc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)O 217653088 ARPVGMRIQWWUBC-UHFFFAOYSA-N 344.433 1.768 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(NCCOC)c(C(=O)O)c1 217559059 SAAHXSASQXEQBV-SNVBAGLBSA-N 330.406 1.520 0 40 EDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(OC)ccc1OC 79042307 PBZFRJVIRUFCNN-LLVKDONJSA-N 329.418 1.599 0 40 EDAB CC(C)[C@H](N)C(=O)NC[C@H]1CCN(C(=O)OCc2ccccc2)C1 79393243 LPRTVGCQHOXMGS-CVEARBPZSA-N 333.432 1.745 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)NCc2nncn2C2CC2)cc1 78603837 BVVQPLUEOGRTRK-RUDMXATFSA-N 326.356 1.729 0 40 EDAB C[C@@]1(C(=O)Nc2cccc(C(N)=O)c2)Oc2ccccc2NC1=O 40776344 VFORJNAENPCHHE-KRWDZBQOSA-N 325.324 1.514 0 40 EDAB CCc1nnc(NC(=O)c2cc(NC(=O)c3ccco3)n(C)n2)s1 46088964 HJDSLRIMPQFAGM-UHFFFAOYSA-N 346.372 1.932 0 40 EDAB Cc1ccc(-c2noc(CCCN3CC(C)(C(N)=O)C3)n2)cc1F 570328922 GLQBQBTUWAVISD-UHFFFAOYSA-N 332.379 1.924 0 40 EDAB C[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)[C@@H](O)c1ccc(F)c(F)c1 195544923 IJBBGMDACFPNEJ-JRPNMDOOSA-N 348.415 1.953 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2cnc(-c3ccco3)s2)CC1 69807648 WGRBTXBFZYUGMM-UHFFFAOYSA-N 335.429 1.932 0 40 EDAB COc1ccccc1CCNC(=O)C1CCC(Cn2cnnn2)CC1 40287126 IFGDHRCJPSBIJT-UHFFFAOYSA-N 343.431 1.847 0 40 EDAB CC(C)CSC[C@H]1O[C@@H](n2cnc3c(N)nccc32)[C@@H](O)[C@H]1O 40632160 XDBKDRRIZBSEDB-GVUJHPQVSA-N 338.433 1.022 0 40 EDAB in-vitro CC(C)n1cc(N2C[C@H](C(=O)NC3CCC(O)CC3)CC2=O)cn1 96101526 BIJMYVLWASLRTN-DNOWBOINSA-N 334.420 1.237 0 40 EDAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1cccc(F)c1 96121416 DZKOIQITKOZMFO-UHFFFAOYSA-N 345.378 1.771 0 40 EDAB Cc1cc2c(cc1C)[C@H](C(=O)N1CCC(N(C)CC(=O)O)CC1)CO2 578357599 FODYBPRMAAEBNW-MRXNPFEDSA-N 346.427 1.787 0 40 EDAB Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2cnn(C)c2)n1 96184195 UKTLSDRTGNAFSY-DLBZAZTESA-N 325.416 1.499 0 40 EDAB Cc1cccc(OCCN(C)c2ncnc3c2cnn3CCO)c1 97200387 UEUBDBQHGPSAFZ-UHFFFAOYSA-N 327.388 1.642 0 40 EDAB CC(C)Nc1ncccc1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 96436656 YLACRSHKPRMREJ-ZDUSSCGKSA-N 328.420 1.644 0 40 EDAB CC(C)NC(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 96230237 UZIKKNXMOZLEGS-UHFFFAOYSA-N 344.459 1.571 0 40 EDAB CN1C[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2ncon2)CC1=O 96485604 FJUSOVHEOHESDD-ZWNOBZJWSA-N 334.763 1.407 0 40 EDAB Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)Cc2c[nH]c3ncccc23)n1 583620919 DLZZTOKYENKDAS-BMIGLBTASA-N 341.371 1.785 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)CO[C@H](COCC1CC1)C2 96105989 AQOBHKFQHDDAPK-HNNXBMFYSA-N 331.416 1.915 0 40 EDAB O=C1[C@@H]2CCN(C3CCOCC3)C[C@@H]2OCCN1Cc1cccnc1 96107100 IQZIRNGYSCPJJZ-MSOLQXFVSA-N 345.443 1.310 0 40 EDAB Cn1ccnc1CN1CCC[C@@]2(COCCN(c3ccccn3)C2)C1 96229052 QPBPDLDMCQELOL-LJQANCHMSA-N 341.459 1.934 0 40 EDAB C[C@@H](CCN1CCOCC1)NC(=O)c1cc(Br)cn1C 96431046 XCVPWYWHCFUWGT-NSHDSACASA-N 344.253 1.628 0 40 EDAB COC(=O)[C@@]1(NCC(OC)OC)CCCN(Cc2ccccc2)C1 584908812 JPYXMOMRRMISTL-GOSISDBHSA-N 336.432 1.403 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(C)Cc2nnc(C3CC3)n2C)C1 96453033 KPYLXMNVLLONCI-VXGBXAGGSA-N 341.481 1.347 0 40 EDAB CN1[C@]2(CCN(C(=O)c3cccnc3)C2)c2ccccc2S1(=O)=O 96261833 AXUNBNWWOKNQPE-KRWDZBQOSA-N 343.408 1.457 0 40 EDAB COC[C@]12COC[C@H]1CN(C(=O)COc1cccc(Cl)c1)C2 96108656 AESALEQAMYNQSE-MLGOLLRUSA-N 325.792 1.840 0 40 EDAB CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)CCc1ccccc1 96041497 PLYVVHGUXXKSSE-NLWGTHIKSA-N 346.471 1.956 0 40 EDAB Cn1cccc1C(=O)N1Cc2ncn(C)c2[C@H](COCC2CC2)C1 96044916 VJWOXKVYNHQFLK-AWEZNQCLSA-N 328.416 1.925 0 40 EDAB CN1CCN(C(=O)C[C@@H]2C[C@H]3CN(Cc4ccsc4)C[C@H]3O2)CC1 96208177 MBAYCLYXSCFFTD-YESZJQIVSA-N 349.500 1.502 0 40 EDAB CCc1nc(CN2CCN(CCCN3CCOC3=O)CC2)cs1 96414834 KBEFRXXNUIBASA-UHFFFAOYSA-N 338.477 1.665 0 40 EDAB C[C@H]1CS(=O)(=O)CCN1C(=O)N[C@H](C)c1ccc(F)c(F)c1 96417610 NBXDDTYEPAHAKB-VHSXEESVSA-N 332.372 1.854 0 40 EDAB CC[S@@](C)(=O)=NS(=O)(=O)NC[C@@H](Cc1ccccc1)N(C)C 585115386 YIONEZTWHKHDMY-SPLOXXLWSA-N 347.506 1.111 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 247858769 LRGZRGPCDFNONM-CQSZACIVSA-N 328.397 1.651 0 40 EDAB COC(=O)c1cc(NC(=O)N[C@@H](C)c2cc(C)ccc2OC)nn1C 585135299 AMZSYGUDIBVNEH-NSHDSACASA-N 346.387 2.406 0 40 EDAB COC(=O)CC1(NS(=O)(=O)CCO[C@H]2CC2(F)F)CCCC1 585115576 IPLJGVBQXROHGX-JTQLQIEISA-N 341.376 1.206 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)/C=C/C=C(Cl)Cl)CC1 585122406 ZXBGQIQLWMBEEH-FDQQOCSASA-N 346.258 1.802 0 40 EDAB O=C([C@H]1CCCO1)N1CCOC[C@]2(CCN(Cc3ccco3)C2)C1 247943151 QHRFWIMKLXQDEJ-AEFFLSMTSA-N 334.416 1.510 0 40 EDAB Cc1ncncc1C(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257333083 YABQGZOLMWDZFQ-HOTGVXAUSA-N 328.372 1.225 0 40 EDAB CN(C)[C@H]1[C@H](NC(=O)c2cccnc2)C[C@@H](Oc2ccccc2)[C@@H]1O 257285446 PHCIDKBEAQAEMR-BDXSIMOUSA-N 341.411 1.322 0 40 EDAB Cc1cc(C)nc(C[C@@H]2COCCN(C(=O)c3nccn3C)C2)n1 257279688 OHSZFRBTTWVVEF-AWEZNQCLSA-N 329.404 1.158 0 40 EDAB O=C(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1cnc2ccccc2c1 257218331 DCTIXGALACAXAM-KZNAEPCWSA-N 325.412 1.952 0 40 EDAB O=S(=O)(Cc1ccccc1)NC[C@@]1(O)CCOc2ccccc21 85470336 DLBVIJDLFOWNBZ-KRWDZBQOSA-N 333.409 1.776 0 40 EDAB Cc1cc(CN(C)C(=O)[C@H]2CN(c3ccc(F)cc3)CCN2)n[nH]1 257234382 GTGWKOTYYBYFPP-MRXNPFEDSA-N 331.395 1.294 0 40 EDAB O=C(N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O)c1ccccn1 257201561 AIDRTTZAHBBKDE-MWQQHZPXSA-N 328.368 1.143 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCCO2)cc1C(F)(F)F 252489875 KDNQSQMBBZRJPZ-UHFFFAOYSA-N 339.291 1.818 0 40 EDAB CCOc1nccn2c(CNC(=O)c3n[nH]c4ccccc34)nnc12 253473371 ULCRDVKLZGDJDT-UHFFFAOYSA-N 337.343 1.329 0 40 EDAB NC(=O)CN1CCCC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccc(O)cc1 257228783 FVELHQZIUJCMAR-IAGOWNOFSA-N 345.443 1.266 0 40 EDAB O=C(CCn1cnnn1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 604418673 DSNMAOJQCXMJER-UHFFFAOYSA-N 325.254 1.597 0 40 EDAB O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc2c(c1)CCO2 96123411 GZPPHPXXQIZUDX-UHFFFAOYSA-N 349.412 1.970 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 575607154 YBNYICOSOYNUDJ-AWEZNQCLSA-N 347.394 1.958 0 40 EDAB O=C(NC[C@H]1CCC2(CN(C(=O)CC3CC3)C2)OC1)c1cnccn1 575403063 IFGNEGRAVVZTCN-CQSZACIVSA-N 344.415 1.014 0 40 EDAB CN(C)CCC(=O)N1Cc2ccnn2[C@@H](COc2ccccn2)C1 585095439 XXGVASFXYAJHFV-OAHLLOKOSA-N 329.404 1.192 0 40 EDAB CNC(=O)[C@H]1CN(C(C)C)CCN1C(=O)c1cc2cc(F)ccc2[nH]1 585168386 DORBVLPIIALRMY-MRXNPFEDSA-N 346.406 1.588 0 40 EDAB COC1(OC)CCN(C(=O)c2cc(SC)ccc2C)C[C@@H]1O 585141743 ZVGCCBWSJZPHGJ-AWEZNQCLSA-N 325.430 1.913 0 40 EDAB CC(=O)N1CCN([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 585290139 TVQAQQAHCYGZKI-RCCFBDPRSA-N 336.407 1.651 0 40 EDAB CO[C@H]1CN(Cc2ccnc(N3CCCC3)n2)C[C@H]1CC(=O)N(C)C 585279677 XDQCXZSKRSTXGO-ZBFHGGJFSA-N 347.463 1.002 0 40 EDAB Cc1ccccc1CNC(=O)CN1CCC(NC(=O)C2CC2)CC1 30282818 HWZLEUIJHCENMK-UHFFFAOYSA-N 329.444 1.602 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@@H](C)O1 69490684 QTKHKQGTAXARIU-AOOOYVTPSA-N 346.836 1.961 0 40 EDAB Cc1ccc(N2CCCN(C(=O)CCCn3ccnc3C)CC2)nn1 69489795 GQTCKRRPWJONMN-UHFFFAOYSA-N 342.447 1.809 0 40 EDAB COc1ncccc1CNC(=O)c1cccc2c1O[C@H](C)C(=O)N2 71847328 FSMYESSATCWPPO-SNVBAGLBSA-N 327.340 1.740 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)CSc1nncc2ccccc12 53775093 XRCUROWCHWPOGO-UHFFFAOYSA-N 332.429 1.753 0 40 EDAB Cc1nccc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)n1 1776008846 QJXLQZDYRXHWAO-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1cccn1C)N(C)C 38674809 BCXACZCJKAOQEZ-ZDUSSCGKSA-N 326.422 1.211 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)NC[C@H]3CCCO3)CC2)cc1F 57419098 PCJDMTNXKHHOMO-OAHLLOKOSA-N 349.406 1.781 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(CC(=O)NCc3cccs3)C2)n[nH]1 76060239 AFAXOHIJZQWGFU-NSHDSACASA-N 347.444 1.066 0 40 EDAB Cc1n[nH]c([C@H]2CN(CCC(=O)N3CCc4ccccc43)CCO2)n1 76048523 HSAPMBUUOLYTSO-MRXNPFEDSA-N 341.415 1.466 0 40 EDAB CCn1nc2c(cc1=O)CN(CC[S@@](=O)c1ccccc1)CC2 76064375 XJHMXJBKSFMQJN-QHCPKHFHSA-N 331.441 1.429 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 95973697 SLIKQJWDSLMLAW-JTQLQIEISA-N 327.328 1.152 0 40 EDAB Cc1cc(C)nc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)n1 277273935 ADAQWVPLKZWIID-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB CCS(=O)(=O)N1CCN(c2ccc(Br)c(C)n2)CC1 95985555 HKKICCBJNFAKRL-UHFFFAOYSA-N 348.266 1.624 0 40 EDAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2C(N)=O)c1C 5134391 GPZUDPDQKODOSK-UHFFFAOYSA-N 348.380 1.901 0 40 EDAB CCOC(=O)N1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1 5459230 NLVNDFCDDRSXER-UHFFFAOYSA-N 336.388 1.547 0 40 EDAB Nc1nnc(SCC(=O)Nc2nnc(-c3ccccc3)o2)s1 5636537 LBFAUGNFJDCSFS-UHFFFAOYSA-N 334.386 1.901 0 40 EDAB Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)[C@@H]2CCOC2)on1 12337710 XGKMYCIZKAZJKB-GFCCVEGCSA-N 345.403 1.501 0 40 EDAB O=C(C1CCCC1)N1CC[C@H](c2cc(O)nc(N3CCOCC3)n2)C1 12367206 OFJKWDUOUVLRTM-AWEZNQCLSA-N 346.431 1.525 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCNC(=O)c2ccncc2)cc1 13566106 WZIOCTVXCXUNHH-UHFFFAOYSA-N 333.413 1.488 0 40 EDAB COc1cccc(C(=O)OCc2cc(=O)n3nc(C)sc3n2)c1 15733960 AKFZFGFABNWUNX-UHFFFAOYSA-N 331.353 1.825 0 40 EDAB Cn1c(=O)c(-c2ccccc2F)cc2cnc(S(C)(=O)=O)nc21 167498649 WASXRJAVEHCTGI-UHFFFAOYSA-N 333.344 1.538 0 40 EDAB O=C(NC1CC1)[C@@H]1C=CCN1S(=O)(=O)c1ccccc1Cl 12182639 SZVNWKBCRHPMPG-LBPRGKRZSA-N 326.805 1.548 0 40 EDAB O[C@]1(Cn2ccnn2)CCCN(Cc2nnc(C3CC3)n2C2CC2)C1 572386295 DNAQRYVVCZZRAT-QGZVFWFLSA-N 343.435 1.109 0 40 EDAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC(=O)NC(C)C 3450239 XXFWGCGYGBXFEF-UHFFFAOYSA-N 343.767 1.322 0 40 EDAB Cc1nn(-c2ccccc2)c(N)c1[C@]1(O)C(=O)N(C)c2ccccc21 5783226 VNNULWYMILRVOZ-IBGZPJMESA-N 334.379 1.975 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2ccc(CO)cc2)C1 6085773 GFWXSTDNCKOELF-OAHLLOKOSA-N 349.383 1.137 0 40 EDAB Cc1ccc(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)c(C)c1 6549331 FOIIOGLCJHQJQQ-CQSZACIVSA-N 347.440 1.962 0 40 EDAB COc1cc(C(=O)NC2CN(c3cnccn3)C2)cc(OC)c1OC 1888864387 AIFTVMFOOMFTKF-UHFFFAOYSA-N 344.371 1.121 0 40 EDAB O=S1(=O)CC[C@H](N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 108386697 FYMICFXIKBFIPO-XLAORIBOSA-N 334.485 1.674 0 40 EDAB O=C(c1cocn1)N1CC[C@@]2(COCC(=O)N(c3ccccc3)C2)C1 2037983886 JYHABMNHLQSAOU-GOSISDBHSA-N 341.367 1.570 0 40 EDAB COC1(CC(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)CCC1 1614939780 YXGWRQCSDJPHOQ-CQSZACIVSA-N 344.419 1.092 0 40 EDAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)[C@H]2CCOC2)n1 1565555956 KLABACSJSKJLAL-BPUTZDHNSA-N 329.400 1.128 0 40 EDAB CC1CC(C(=O)N2C[C@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)C1 1565550007 MIWKIAFAPGLDLP-ZHEFKQADSA-N 344.415 1.011 0 40 EDAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NCCOC 9136883 MHAZNYMULMLGHZ-UHFFFAOYSA-N 331.372 1.776 0 40 EDAB COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccncc2)CC1 2055704285 AGIXFACIBSEDIO-UHFFFAOYSA-N 343.431 1.032 0 40 EDAB CC(C)c1ccccc1OCCOC[C@H](O)CN1CCN(C)CC1 22466258 JWIZLHCXFLPNAY-QGZVFWFLSA-N 336.476 1.814 0 40 EDAB O=C(CSc1nc2ccccc2o1)NCCn1ncccc1=O 38488145 AOZFLZJYJUNNAH-UHFFFAOYSA-N 330.369 1.293 0 40 EDAB COC(=O)c1ccc(C(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1 575615443 FPIYABHWEMZYQG-KRWDZBQOSA-N 346.427 1.704 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CCN(c2cnsn2)CC1 585148684 AXKQGZGXABHLOP-UHFFFAOYSA-N 347.400 1.299 0 40 EDAB Cc1nnc2ccc(N3CC(N(C)c4nc5ccccc5o4)C3)nn12 585606909 KBWSGFQUTKMGDW-UHFFFAOYSA-N 335.371 1.899 0 40 EDAB COC(=O)c1ccc(C(=O)N2CC[C@H](Oc3cnsn3)C2)cc1 618256054 CFEGJSVPQZXAKQ-LBPRGKRZSA-N 333.369 1.618 0 40 EDAB CCOc1ccccc1CCC(=O)N1CCC2(CC1)NC(=O)NC2=O 40485361 YLXGIHMJBRAXLS-UHFFFAOYSA-N 345.399 1.219 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N(Cc1ccc(F)cc1F)C1CC1 40498909 SHVBUOZFKRDAIK-UHFFFAOYSA-N 335.310 1.006 0 40 EDAB O=S(=O)(NCc1nnc2n1CCCCC2)c1c(F)cccc1F 40461273 DSLTVZGSTJIFSD-UHFFFAOYSA-N 342.371 1.761 0 40 EDAB CC[C@H](C)[C@@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100767444 JYMAHYMXWBVPRI-ADOMEBDSSA-N 345.443 1.345 0 40 EDAB CC(C)(NS(=O)(=O)c1ccc(F)cc1Br)C(N)=O 40675560 MFNPTILMKVQYIK-UHFFFAOYSA-N 339.186 1.130 0 40 EDAB NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1ccc(-n2ccnc2)cc1 32907240 RQBMEXLOSVCVOH-GOSISDBHSA-N 347.378 1.606 0 40 EDAB CC[C@H](NC(=O)CN1CCN(CCO)CC1)c1ccc(Cl)cc1 42287239 BABLFMXPYZKLOX-INIZCTEOSA-N 339.867 1.517 0 40 EDAB COc1ccc(N(C)C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cn1 71185071 IMBVOJLHBVOWFX-VIFPVBQESA-N 331.294 1.464 0 40 EDAB CC(=O)NCCCNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 47383746 MKRXILBJVDNGBK-UHFFFAOYSA-N 346.427 1.912 0 40 EDAB Cc1ccc(CN2CCCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)cc1 47455912 SQSYJVOIKXNJNX-SFHVURJKSA-N 343.471 1.898 0 40 EDAB O=C(NCCCn1cncn1)NC[C@H](c1ccco1)N1CCCCC1 47777753 SSHRYNNLRHHYEH-OAHLLOKOSA-N 346.435 1.788 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)N[C@H](CO)C(C)(C)C)n1 78821530 IVZGQYOKWBUTQI-SNVBAGLBSA-N 329.422 1.777 0 40 EDAB 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C[C@H]1CN(CCNC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@@H](C)O1 22611917 OIXFSLGABMENBD-TXEJJXNPSA-N 349.456 1.570 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N[C@@H](CC(=O)O)C1CCOCC1 547616029 RLZJKIDOPRYKJI-ZDUSSCGKSA-N 345.392 1.682 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)cc1C 548203594 SPPYFIFACKAPAD-TZMCWYRMSA-N 327.402 1.462 0 40 EDAB CC(C)CNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCO 217423691 ZWOIFGYUFXBXOC-UHFFFAOYSA-N 330.406 1.113 0 40 EDAB COc1cc(C(=O)O)ccc1S(=O)(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 530154674 VJKRUKXVXDKJGL-YCWTYVPXSA-N 343.401 1.484 0 40 EDAB COC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218193578 KDGARTSPQVYESW-FRRDWIJNSA-N 348.262 1.551 0 40 EDAB Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccn3)ncn2)s1 38488253 ZRGIWJXSBOLTMO-UHFFFAOYSA-N 343.416 1.578 0 40 EDAB O=C(COC1CCCC1)NCC1CCN(C(=O)C(F)(F)F)CC1 74064382 UYMCHZNWPGEYHC-UHFFFAOYSA-N 336.354 1.863 0 40 EDAB C[C@H](c1cnccn1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 184404226 QMLGZEBKOTYQBG-OAHLLOKOSA-N 346.456 1.685 0 40 EDAB O=C(COc1ccccc1)NCC(=O)N1CCC[C@]2(CCOC2)C1 562636370 BCZRYJNPIZSZDQ-SFHVURJKSA-N 332.400 1.211 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 79038994 LMYMIHBQUIVGBA-KFWWJZLASA-N 346.493 1.512 0 40 EDAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCOC 217464099 GWPFEQAFQLCFIP-UHFFFAOYSA-N 330.406 1.522 0 40 EDAB CC(=O)NCCCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 77528002 UFBQGEULBYJFCJ-MRXNPFEDSA-N 346.475 1.819 0 40 EDAB CC(=O)NCCNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 47718253 JFPZJIGVFDZBPV-MRVPVSSYSA-N 346.214 1.364 0 40 EDAB Cn1cccc(C(=O)NC2CCN(c3cc(C4CC4)[nH]n3)CC2)c1=O 225752871 XSOYMYFQZYTVIC-UHFFFAOYSA-N 341.415 1.385 0 40 EDAB CCN1CCN(C(=O)c2snnc2-c2ccc(OC)cc2)CC1 225763467 FJMHGFWEYZNNKO-UHFFFAOYSA-N 332.429 1.991 0 40 EDAB COc1ccc(C(=O)NCc2ccnc(N3CCOCC3)n2)cc1 224215640 VLSRKCRTLFSGMB-UHFFFAOYSA-N 328.372 1.252 0 40 EDAB Cn1nc2c(cc1=O)C[C@H](NC(=O)c1cc(-c3ccco3)on1)CC2 225787054 RTBIIRLFCXYPKB-LLVKDONJSA-N 340.339 1.316 0 40 EDAB CC(C)c1ccoc1C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 576771497 UIVPRHOARGXABJ-JURCDPSOSA-N 342.395 1.940 0 40 EDAB CCn1cc(NC(=O)NCCc2cccc(C(=O)N(C)C)c2)cn1 96431282 DSSVHDOYQLYWQT-UHFFFAOYSA-N 329.404 1.969 0 40 EDAB Cc1ccc([C@@H]2[C@H](C(=O)NCc3cnn(C)c3C)CC(=O)N2C)cc1 96181229 AZXNKUZQTWKSGR-SJLPKXTDSA-N 340.427 1.873 0 40 EDAB Cc1cccc(CN2Cc3ccnn3C[C@@H](COCCN(C)C)C2)n1 96188973 GRYTXTMKFQYFOI-KRWDZBQOSA-N 343.475 1.797 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@@H]1CCN(c1ncc(F)cn1)C2 96039519 BIKOPFBPLLYMBT-NVXWUHKLSA-N 338.427 1.569 0 40 EDAB O=C(C1CCOCC1)N1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1 96209229 VJWNNYNJHAQZRV-CRAIPNDOSA-N 346.431 1.465 0 40 EDAB C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ncccn1)CC2 96201611 ITHURMTWEYQQDN-ZDUSSCGKSA-N 342.403 1.001 0 40 EDAB COC[C@H]1CC2(CCN(S(=O)(=O)c3cccnc3)CC2)CN1C 96208640 SIFKOKARLRNCBM-CQSZACIVSA-N 339.461 1.203 0 40 EDAB CN(C)C(=O)CO[C@@H]1CO[C@]2(CCN(Cc3cccc(F)c3)C2)C1 96072345 UBXRWUZKDUZISX-FUHWJXTLSA-N 336.407 1.664 0 40 EDAB COC[C@H]1CN(C(=O)c2ccncn2)Cc2ncn(CC3CC3)c21 96045095 XQFYASFHTPQBSG-CYBMUJFWSA-N 327.388 1.469 0 40 EDAB Cn1cc([C@@H]2CC(=O)NC23CCN(CC2CCOCC2)CC3)cn1 96061504 AFYVUYBDKXTOPQ-INIZCTEOSA-N 332.448 1.285 0 40 EDAB Cc1cccc(COC[C@@H]2C[C@H]3OCCN(S(C)(=O)=O)[C@@H]3C2)n1 96250762 JGWNSJNZDWQWRX-NUEKZKHPSA-N 340.445 1.346 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1cc(Cl)c3c(c1)OCO3)CC2 97198927 MXUVPUJBGULBLY-SNVBAGLBSA-N 334.763 1.713 0 40 EDAB Cc1csc(NC(=O)Cc2ccc(OCc3nnnn3C)cc2)n1 96101410 AIOLWCDAMJOGTG-UHFFFAOYSA-N 344.400 1.735 0 40 EDAB Cn1cc(CN2CCC[C@@H](CO)C2)c(I)n1 585136759 RKGYHBNGCBDTQW-SECBINFHSA-N 335.189 1.229 0 40 EDAB Cc1cc(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)no1 585122288 VPTJCHSOMWOHNI-CYBMUJFWSA-N 338.408 1.150 0 40 EDAB CO[C@@H]1C[C@@H]2C(=O)N([C@@H]3C[C@H](C)N(c4ccccc4)C3=O)C(=O)N2C1 240423821 FRCLDYYMARXZQZ-ZGKBOVNRSA-N 343.383 1.232 0 40 EDAB Cc1cc2nccc(C3CCN(S(=O)(=O)c4cn[nH]c4)CC3)n2n1 257213780 CJBAAPJYIWCJHX-UHFFFAOYSA-N 346.416 1.329 0 40 EDAB CCN1C(=O)C[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccccc1C 257342822 ZQGSEQVOGAQWPJ-AEFFLSMTSA-N 331.460 1.925 0 40 EDAB CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccnc(C)n2)c1 257209669 BRJYKYBATQWVHA-QGZVFWFLSA-N 325.416 1.291 0 40 EDAB COCC(=O)N1CCC(Cc2cnc(N3C[C@@H](C)OC3=O)cn2)CC1 257320382 VWOLJZDGWNKHAB-GFCCVEGCSA-N 348.403 1.249 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257238027 HJIAUIZCHDJYDD-JFIYKMOQSA-N 334.464 1.026 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)c3cccnc3C)CCO2)ncn1 257293246 QORXGJDHNATCEH-INIZCTEOSA-N 326.400 1.962 0 40 EDAB COc1ccc([C@@H](NC(=O)c2cnn3c2CCCC3)C(=O)O)cc1F 263038123 NDCFYJJWSCAJGH-OAHLLOKOSA-N 347.346 1.923 0 40 EDAB CN(CC(N)=O)C[C@H]1CN([C@H]2CCc3c(Cl)cccc32)CCO1 282227077 ZBORZYGPUOFVGM-LRDDRELGSA-N 337.851 1.445 0 40 EDAB CCS(=O)(=O)NCC(=O)N1CCC(c2cc(C)ccc2C)CC1 1615057698 HFUPMNLFXSOMNY-UHFFFAOYSA-N 338.473 1.949 0 40 EDAB CN1CCC2(CC1)CCN2C(=O)NCc1cccnc1-n1ccnc1 1615057035 NWOHEZOFNVLVTQ-UHFFFAOYSA-N 340.431 1.647 0 40 EDAB C[C@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)n1cnnn1 1615096813 UYSRTKVSSNHUQV-SBJJXXPASA-N 326.404 1.092 0 40 EDAB C[C@H]1C[C@@H](O)CCN1C(=O)CCCn1nnc(-c2ccccc2)n1 1615576791 NOPXAUAXAJQFJG-ZFWWWQNUSA-N 329.404 1.492 0 40 EDAB Cn1ncc(C2CC2)c1C(=O)NC[C@@]12CNC[C@@]1(C(F)(F)F)C2 1615546939 QAQFVDYOHZCMAQ-KGLIPLIRSA-N 328.338 1.569 0 40 EDAB CNC(=O)c1ccc(O)c(NS(=O)(=O)C[C@@H](OC)C(C)C)c1 1615613732 JTGNPVFDWIKTFN-CYBMUJFWSA-N 330.406 1.165 0 40 EDAB COC(=O)[C@@H](CCn1nnnc1C(C)C)NC(=O)OC(C)(C)C 1615610507 KEUTZSYESLHYKK-SNVBAGLBSA-N 327.385 1.253 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)NCc1ccccc1CO 1615616319 XZFGLCKWVRUZJY-IBGZPJMESA-N 326.396 1.604 0 40 EDAB CC(C)(C)CCS(=O)(=O)N1CCc2nc(O)c(C(=O)O)cc2C1 1616034405 FEFLDJFUIMSPEQ-UHFFFAOYSA-N 342.417 1.610 0 40 EDAB O=C(NCCn1nc(C2CC2)ccc1=O)Nc1ccc2c(c1)OCO2 575618531 CBAWBKWYTSQEOM-UHFFFAOYSA-N 342.355 1.671 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1cccc(F)c1)C2 585102903 HPWMJWJGWAKTTF-AWEZNQCLSA-N 327.421 1.851 0 40 EDAB CCn1cc(C(=O)N2CCO[C@](CO)(Cc3ccc(C)cc3)C2)cn1 585277595 NHTFSYTUTZLHQH-LJQANCHMSA-N 343.427 1.658 0 40 EDAB CC(=O)N1CCC[C@]1(CO)CC(=O)NC1(c2ccc(F)cc2)CC1 585280232 DIIGFIZXEPNOOM-QGZVFWFLSA-N 334.391 1.695 0 40 EDAB O=C(O)c1cc2c(c(S(=O)(=O)N3CCn4cccc4C3)c1)CCC2 907097967 OKLLYAGNHRTORO-UHFFFAOYSA-N 346.408 1.880 0 40 EDAB CS(=O)(=O)N1CCC[C@H](c2c(C(N)=O)sc3ncccc23)C1 585179616 KGXZCVOSMMLJIM-VIFPVBQESA-N 339.442 1.534 0 40 EDAB COC[C@]1(CC(=O)NCc2ccc(F)cc2F)CCCN1C(C)=O 585280380 GWMJQIAPQWOLHA-QGZVFWFLSA-N 340.370 1.999 0 40 EDAB Cc1cnn(C[C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)c1 69489526 HTRIHVLWJLXGSY-HNNXBMFYSA-N 325.416 1.979 0 40 EDAB O=c1[nH]c(=O)c2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2[nH]1 74012059 NUTCSWWDFAUHHB-UHFFFAOYSA-N 349.412 1.385 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@]2(OC)CCSC2)c(C)c1 96097669 VCZAPMHSAGJQJF-CQSZACIVSA-N 331.459 1.804 0 40 EDAB C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1cnc(-c2ccccc2)n1 97230111 GGIIWYJYKAQJQT-HOCLYGCPSA-N 327.432 1.744 0 40 EDAB O=C(NCCc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCO2 5250981 RWDAGRLXHZLJKN-UHFFFAOYSA-N 344.342 1.894 0 40 EDAB CC1(C)O[C@H]2O[C@@H]([C@H](O)COC(=O)c3ccccc3)[C@@H](F)[C@@H]2O1 5742125 KWTCJBZBPXSFRW-DGMCESFYSA-N 326.320 1.419 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCC[C@H](C)C3)n2)o1 12182665 RJCJXUMAAODHQC-NSHDSACASA-N 330.388 1.652 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C 14117456 BBLLBUUYLYFYOE-HOCLYGCPSA-N 347.459 1.780 0 40 EDAB CCn1nnnc1SC[C@H](O)COc1ccc(C(=O)OC)cc1 14238485 AAMPVZJKJQOUPS-LLVKDONJSA-N 338.389 1.012 0 40 EDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 16322292 INIRJTNCYWBPLJ-LBPRGKRZSA-N 326.418 1.375 0 40 EDAB Cn1nc(NC(=S)Nc2ccccc2)[n+](Cc2ccccc2)n1 17024930 ARTBJVWGZRUANJ-UHFFFAOYSA-O 325.421 1.960 0 40 EDAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cnccn1 17360439 BLIHBWYFFBFICQ-UHFFFAOYSA-N 348.384 1.219 0 40 EDAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)CC1 17946105 CQPWUVRQNOGDBD-MRXNPFEDSA-N 344.411 1.902 0 40 EDAB Nc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(O)cc23)cc1 19419314 KNEXYNUJOQUNMO-UHFFFAOYSA-N 331.397 1.977 0 40 EDAB COC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1 3378829 GMFVHGJXXRZMLV-MRXNPFEDSA-N 349.408 1.758 0 40 EDAB CC[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 547906367 NQTMCCJNQVAQFW-LLVKDONJSA-N 349.792 1.610 0 40 EDAB COc1cccc(CCC(=O)N2CCOC[C@@]23CCOC3)c1OC 548845616 INRPPLZWQIEIBT-SFHVURJKSA-N 335.400 1.654 0 40 EDAB CCOc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1F 22999772 DUKAXRCVCNAFMX-UHFFFAOYSA-N 330.425 1.845 0 40 EDAB Cc1cccc(N2C[C@H](C(=O)N3CCC(C(=O)O)CC3)CC2=O)c1C 20200782 MVHUMHIFXOULAK-OAHLLOKOSA-N 344.411 1.980 0 40 EDAB COc1cccc(NC(=O)CN(C)CCn2c(C)csc2=O)c1 12971594 PMPUJQHCNBBRDQ-UHFFFAOYSA-N 335.429 1.797 0 40 EDAB O=C1[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C(=O)N1Cc1ccccc1 1888856663 SLZZTLVSVPGJLZ-HOTGVXAUSA-N 348.406 1.975 0 40 EDAB COc1ccc(S(=O)(=O)N2CC(N3C[C@H]4CCC[C@H]4C3)C2)cc1 1888879421 QXYZQMJYLVTJIB-OKILXGFUSA-N 336.457 1.800 0 40 EDAB CC(C)N(C)CC(=O)N1CCc2ccc(C(=O)N3CCCC3)n2CC1 1565546724 JCITWOTVULDZCT-UHFFFAOYSA-N 346.475 1.449 0 40 EDAB Cn1c(C(=O)N2CCc3ncnc(-c4cccnc4)c3C2)cccc1=O 1565555904 IYYUNPDSIFRWOG-UHFFFAOYSA-N 347.378 1.436 0 40 EDAB COC(=O)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1 43956757 GZRWJLBSIMYMIL-UHFFFAOYSA-N 344.408 1.724 0 40 EDAB O=C(NCc1ccccc1)N1CC(c2nc(-c3cnccn3)no2)C1 49486033 PZAZJPSXSAWGAD-UHFFFAOYSA-N 336.355 1.836 0 40 EDAB CCCNC(=O)CSc1nc2ncccc2c(=O)n1CCOC 31615777 XXJJZPSMBLTIRF-UHFFFAOYSA-N 336.417 1.056 0 40 EDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCCC3)cc(C3CC3)nc21 32059824 MRRNLJBSFYWLPY-UHFFFAOYSA-N 342.399 1.655 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cn1 32836079 XFGYQHCEEOUFKR-UHFFFAOYSA-N 325.368 1.688 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C1(O)CCCCC1 32873886 MADNWNWZIALKSM-STQMWFEESA-N 340.420 1.629 0 40 EDAB COC(=O)C1CCN(C(=O)[C@H](NC(=O)c2ccco2)C(C)C)CC1 32990870 USEXIUSITLLOBL-CQSZACIVSA-N 336.388 1.446 0 40 EDAB NC(=O)C1(CNC(=O)COCc2ccccc2Cl)CCOCC1 52745323 SUMMNUNAAWRIQS-UHFFFAOYSA-N 340.807 1.255 0 40 EDAB CCn1ncc(C(=O)N2CCN(Cc3cnn(C)c3C)CC2)c1C 22241468 RBIFZEOUZGHOTA-UHFFFAOYSA-N 330.436 1.211 0 40 EDAB C[C@@H](NC(=O)c1ccc(O)nn1)c1ccc(NC(=O)NC2CC2)cc1 53471675 SQNMKXDDQXHTRL-SNVBAGLBSA-N 341.371 1.957 0 40 EDAB Cc1ccnn1-c1cccc(NC(=O)N[C@@H]2CCC(=O)N(C)C2)c1 95399544 CJUZTRVOYDIHFS-CQSZACIVSA-N 327.388 1.923 0 40 EDAB Cc1cc(Cl)cc2c1N(C(=O)CN(C)S(C)(=O)=O)CCC2 78773347 HNFDGAWFXBBSHP-UHFFFAOYSA-N 330.837 1.819 0 40 EDAB CC[C@H](C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)N(CC)CC 78823445 CCURPYGIHFJYDL-CQSZACIVSA-N 333.436 1.077 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc2ccccc2n1 24690271 BHWVHKFXKVSVJZ-CQSZACIVSA-N 347.440 1.779 0 40 EDAB CC(C)(CO)NC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 4983925 UCOAKASXRUCBDM-PTNGSMBKSA-N 327.384 1.673 0 40 EDAB Cc1ccc(N2CCC[C@H](N[C@@H](C(N)=O)c3ccccc3)C2)nn1 106774500 BFVMVDFEPQJYIV-DOTOQJQBSA-N 325.416 1.570 0 40 EDAB Cc1csc(CCNC(=O)Nc2cccc(S(N)(=O)=O)c2)n1 75801544 ZJUWCGKEVYJPMN-UHFFFAOYSA-N 340.430 1.463 0 40 EDAB Cc1ccc(C)c(OCC(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 106872969 KAVOMKCNAJTGHM-WRFANHODSA-N 340.379 1.521 0 40 EDAB CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1cnn(C)c1 25308527 RISCXQILZYLSDO-OAHLLOKOSA-N 329.404 1.883 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN([C@@H](C(N)=O)c3ccc(F)cc3)C2)no1 107056233 LBEYWJXVLWXYQN-GOEBONIOSA-N 347.394 1.250 0 40 EDAB O=C(c1ccccn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25763676 HPWBKJKCONWGIW-UHFFFAOYSA-N 325.368 1.768 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)n1 76045788 CMLDUNVQZMKBFZ-ZDUSSCGKSA-N 342.403 1.638 0 40 EDAB CC[C@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccccc1 56973196 AINHOFFRQZCWSD-CYBMUJFWSA-N 329.404 1.290 0 40 EDAB CCCNC(=O)CN1CCN(C(=O)NCc2ccc(C)cc2)CC1 35334056 QNWIIVLTTXSBQP-UHFFFAOYSA-N 332.448 1.348 0 40 EDAB Cc1ncccc1C(=O)N1CCN(Cc2nccn2C(F)F)CC1 108262886 MLUOQYLKWVMPSE-UHFFFAOYSA-N 335.358 1.940 0 40 EDAB O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 62119938 LHLLIDOLJRHXPM-LURJTMIESA-N 340.220 1.606 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1CCc1ccc2c(c1)OCO2 48235809 XDDLUQAUEAQWMU-UHFFFAOYSA-N 331.349 1.803 0 40 EDAB COCCN1CCCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 48251912 PXFCAZJDYRIPNM-UHFFFAOYSA-N 329.404 1.062 0 40 EDAB C[C@H](CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)N1CCOCC1 58078308 XMCYWQBAURBUAT-GFCCVEGCSA-N 329.441 1.127 0 40 EDAB COc1ccc(OC)c(NC(=O)C(=O)NCc2ccccc2OC)c1 9855510 HGKBRFDRJXAPBX-UHFFFAOYSA-N 344.367 1.967 0 40 EDAB COc1cc(CC(=O)NCc2nnc3nc(C)cc(C)n23)ccc1C 9861508 IBNNPJPIPKJLPE-UHFFFAOYSA-N 339.399 1.917 0 40 EDAB CC(C)(CNC(=O)c1cn(Cc2ccccc2)nn1)N1CCOCC1 44896739 JEIATFCRQCVONO-UHFFFAOYSA-N 343.431 1.167 0 40 EDAB Cc1cc2n(n1)C[C@H](CN[C@@H]1CCCN(c3ncccn3)C1)CN2 58298858 PEMZFHYSMOEYQC-HUUCEWRRSA-N 327.436 1.282 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNC1CCN(Cc3ccncc3)CC1)CN2 58296090 KCCYQMSYPCNNFF-KRWDZBQOSA-N 340.475 1.882 0 40 EDAB Cc1csc(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)n1 44967470 SOFZPZHGNCGJPG-LBPRGKRZSA-N 332.433 1.710 0 40 EDAB CN(Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 58380655 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0 40 EDAB CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 3424278 WZNXYQXVOIMLKC-UHFFFAOYSA-N 343.383 1.561 0 40 EDAB O=C(c1ccc(Cn2nnn(-c3ccccc3)c2=O)cc1)N1CCCC1 29745269 GHRWEKIBOKMNHH-UHFFFAOYSA-N 349.394 1.713 0 40 EDAB Cc1ccc(CN2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)o1 108526113 UUADHUHXSDFCBS-CQSZACIVSA-N 342.461 1.651 0 40 EDAB Cc1ccc(C(=O)OCC(=O)NC(N)=O)cc1NC(=O)c1ccco1 3488082 JRKHMRPSFSQOIJ-UHFFFAOYSA-N 345.311 1.192 0 40 EDAB CC[C@H](CNC(=O)c1nccnc1N)N1CCc2ccccc2C1 29911713 ODYJDWLZGGRWDN-OAHLLOKOSA-N 325.416 1.626 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1Cl)N1CCN(S(C)(=O)=O)CC1 24509382 ILVMTFBAAWXVFB-NSHDSACASA-N 345.852 1.244 0 40 EDAB Cn1ncnc1CNC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 95410637 PGNXOHBENYSXSJ-UHFFFAOYSA-N 337.424 1.516 0 40 EDAB Cc1cc(C)n([C@H](C)C(=O)NC[C@@H](O)COc2ccc(F)cc2)n1 95417358 UNKFCJKJFCJFNV-UKRRQHHQSA-N 335.379 1.756 0 40 EDAB NC(=O)CCN1CCN(Cc2sccc2Br)CC1 49480846 SHMSCZOFZWFTIF-UHFFFAOYSA-N 332.267 1.504 0 40 EDAB NC(=O)COc1ccccc1C(=O)OCC(=O)c1ccc(O)cc1O 9365710 FOSJTJNTQNKDAE-UHFFFAOYSA-N 345.307 1.002 0 40 EDAB CCOc1ncnc2c1CN([C@@H](CC)C(=O)Nc1cc(C)on1)CC2 65474971 OZWWAHRPWPNVCZ-AWEZNQCLSA-N 345.403 1.947 0 40 EDAB CNC(=O)NC(=O)CN1CCC(C(=O)c2ccc(OC)cc2)CC1 14095189 MUGIQIMLSOKFHA-UHFFFAOYSA-N 333.388 1.046 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNC[C@@H]1Cc2ccccc2O1 65520885 JHTPTOFJZMFHNO-INIZCTEOSA-N 342.443 1.658 0 40 EDAB CN(Cc1ccco1)C[C@@H](O)Cn1c(-c2ccccc2)noc1=O 65551369 LFVJBAKKBKZMEZ-CQSZACIVSA-N 329.356 1.589 0 40 EDAB C[C@H](NC(C)(C)CNS(=O)(=O)c1cnn(C)c1)c1ccccc1 65565552 GKSCIZVPDFNQTR-ZDUSSCGKSA-N 336.461 1.828 0 40 EDAB C[C@@H](Oc1ccccc1C(N)=O)C(=O)Nc1ccc2c(c1)OCCO2 5346774 HEHSUVVLJRQZDX-LLVKDONJSA-N 342.351 1.963 0 40 EDAB COc1ccc(OCCC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1 65606121 UNPPQQLHEMYIEE-LBPRGKRZSA-N 330.388 1.879 0 40 EDAB CC(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 5461384 HFMVBJOZOAMDEO-UHFFFAOYSA-N 341.415 1.930 0 40 EDAB CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)NCCC(C)C)n1 6505416 YWCAKELSCOBFFK-UHFFFAOYSA-N 340.449 1.686 0 40 EDAB CCc1nnc(NC(=O)CCn2ncc(=O)c3ccccc32)s1 14673682 PYKRNWDUPMJSFA-UHFFFAOYSA-N 329.385 1.839 0 40 EDAB CCc1nnc(NC(=O)CCNS(=O)(=O)c2cccs2)s1 21288084 FZZMFQQOFTZHIH-UHFFFAOYSA-N 346.459 1.469 0 40 EDAB CC(C)OCCC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 66858636 HAUWYPBXQWIYFW-UHFFFAOYSA-N 339.480 1.204 0 40 EDAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NC[C@H]1CCCO1 409201286 LFTOCKJOMJBUEP-HBZGRHIISA-N 336.369 1.611 0 40 EDAB CCNC(=O)Cn1ccc(NC(=O)c2cccc(C(=O)OC)c2)n1 67242245 ASEMLNULNOZGHF-UHFFFAOYSA-N 330.344 1.058 0 40 EDAB C[C@@H]1c2ccc(F)cc2CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 73880912 RDTIWRGOTOCPAR-UKRRQHHQSA-N 347.434 1.682 0 40 EDAB O=C(NCc1ccc(OCC2CC2)nc1)N1CCN(C2CC2)CC1 89794236 RIRWYPRTOQOBGC-UHFFFAOYSA-N 330.432 1.860 0 40 EDAB O=C(CSc1nnnn1Cc1ccccc1)NC[C@H]1CCCO1 9534578 RLQJDIKIBFTOGE-CYBMUJFWSA-N 333.417 1.109 0 40 EDAB Cc1nc(-c2cc(C(=O)N3CCN(C[C@H](C)O)CC3)co2)cs1 71871493 XAHVBXDMVIKSQA-NSHDSACASA-N 335.429 1.850 0 40 EDAB COc1ccc(CCC(=O)N2CCN([C@H]3C[C@@H](C)OC3=O)CC2)cc1 71832826 UHRUPIYATQATSH-PBHICJAKSA-N 346.427 1.476 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC(Nc2cccnn2)CC1 71863439 AEQWUEMEEMINJS-ZFWWWQNUSA-N 334.420 1.464 0 40 EDAB C[C@@H](NC(=O)NC[C@@H]1CCCO1)c1ccccc1NS(C)(=O)=O 69040193 KDJDVFSMFMGHCK-NEPJUHHUSA-N 341.433 1.597 0 40 EDAB CCC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 8231501 HVMZBTRMNFTIQJ-KPZWWZAWSA-N 347.415 1.767 0 40 EDAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1CCS(=O)(=O)CC1 70039779 MEZUFUMVPDCIDL-RBSFLKMASA-N 331.478 1.721 0 40 EDAB COCCN1CCN(CCOc2ccc3c(c2)CCC(=O)N3)C[C@@H]1C 70008474 UNOIVYNNPLWDMC-HNNXBMFYSA-N 347.459 1.603 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1n[nH]c(=O)c2ccccc12 69487638 SRMBZWCDJUSBHK-CABCVRRESA-N 326.400 1.622 0 40 EDAB CO[C@@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1ccccc1 69421268 HDWOIKCDMCHUDK-GOSISDBHSA-N 342.443 1.842 0 40 EDAB CC(C)N(CC(N)=O)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 69416513 PYISFTZUMCMWFE-LBPRGKRZSA-N 327.425 1.498 0 40 EDAB CCCN1C[C@@H]2[C@@H](NC(=O)c3cccs3)CCS(=O)(=O)[C@H]2C1 306123218 AHOCAHIUZXIUKU-DYEKYZERSA-N 342.486 1.375 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)COCC(F)(F)F)CC2)n1 69597351 SVRKBPLZGBCDDR-UHFFFAOYSA-N 348.325 1.103 0 40 EDAB O=C(NCC(=O)N1CCc2ccccc21)c1cnc2ccccc2n1 69536961 DADRZKOWZDDWIR-UHFFFAOYSA-N 332.363 1.949 0 40 EDAB O=C(O)[C@@H]1CCC(=O)N(CCCn2cccn2)[C@H]1c1cscn1 69557576 LNZASBMVCCHRKZ-BXUZGUMPSA-N 334.401 1.794 0 40 EDAB COc1ccc([C@@H](NC(=O)CNC[C@H]2CN(C)CCO2)C(C)C)cc1 69652974 WZYPWLCEOKXSOQ-HKUYNNGSSA-N 349.475 1.429 0 40 EDAB COc1ccc(NC(=O)NCC/N=C(\O)c2ncccc2O)cc1 69776994 HOQGYBUCGTUXJP-UHFFFAOYSA-N 330.344 1.922 0 40 EDAB COc1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc(OC)c1C 69739664 BPDVYDZITWZKJV-AWEZNQCLSA-N 349.475 1.626 0 40 EDAB CN(C(=O)NCCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 69849312 SYHXIRPGHDKQIO-GFCCVEGCSA-N 346.836 1.547 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N1CCC[C@@H](n2ccnc2)C1 69925615 IXNNKVFOYKDBRU-CQSZACIVSA-N 339.461 1.794 0 40 EDAB CC(C)C[C@@H](CN(C)C)NC(=O)C1CCN(C(=O)N(C)C)CC1 72012910 IIAAIZYYOUWICE-HNNXBMFYSA-N 326.485 1.473 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccccc2)C1=O 408549177 QILLFSUEBYOWTJ-GXDHUFHOSA-N 325.324 1.543 0 40 EDAB O=C(NCCc1n[nH]c(=O)[nH]1)c1cccc(Br)c1Cl 97056841 BENIMKXWSLALPJ-UHFFFAOYSA-N 345.584 1.486 0 40 EDAB O=C(c1ccnc(OCC(F)F)c1)N1CC[C@@](O)(C(F)(F)F)C1 97022159 OWFXRIDVDYMANX-LBPRGKRZSA-N 340.248 1.865 0 40 EDAB Cc1nnc2n1CCN([C@@H](C)C(=O)N1CCc3ccccc3C1)C2 72267501 IZRRGVYLGBBBFU-ZDUSSCGKSA-N 325.416 1.376 0 40 EDAB OC[C@H]1CCCN1c1cc(NC[C@H]2COc3ccccc3O2)ncn1 72275986 RUMBRBDUIHPOBH-KGLIPLIRSA-N 342.399 1.690 0 40 EDAB COC(=O)c1ccnc(NC(=O)C[C@H](C)NC(=O)C2CCCC2)c1 72284923 DNSSXKFEZMFBQF-NSHDSACASA-N 333.388 1.892 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(CCOc3ccc(F)cc3)CCO2)n1 72253417 HDRJAIUJEXYYSR-KRWDZBQOSA-N 334.395 1.814 0 40 EDAB C[C@@H](C(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F)N1CCN(C)CC1 97112909 BPCHCNPZBDGVOM-AAEUAGOBSA-N 332.370 1.381 0 40 EDAB C[C@@H](CC(=O)NCCS(N)(=O)=O)c1ccccc1Br 72304058 NXINOBPGTKFGCF-VIFPVBQESA-N 349.250 1.347 0 40 EDAB CS(=O)(=O)NCCN1CCCCC[C@@H]1C[C@H](O)c1ccco1 95965758 PEMPGKZGNWTDRL-KGLIPLIRSA-N 330.450 1.497 0 40 EDAB COc1ccc([C@@H]2[C@@H](CNC(=O)c3cnn(C)c3N)CCN2C)cc1 97376059 VKTZWUHYXHWDBU-CZUORRHYSA-N 343.431 1.434 0 40 EDAB O=C(NCC(=O)N1CCCC1)c1nn(-c2ccccc2F)cc1O 89821308 YCIRRZAEBSYXAQ-UHFFFAOYSA-N 332.335 1.069 0 40 EDAB OC[C@H]1CCCN1C[C@H]1CCCN1Cc1nc(-c2ccco2)no1 75094064 INMRFLJDZGBZGC-ZIAGYGMSSA-N 332.404 1.751 0 40 EDAB CC[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C[C@H]1N(C)C 89948431 UHJVZRXJWJBBHS-CXAGYDPISA-N 345.443 1.749 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1cccnc1N1CCOCC1 89532562 WSEXLVJZDUUASK-UHFFFAOYSA-N 338.389 1.324 0 40 EDAB O=C(NC[C@@H]1CCCO1)C1CCN(C(=O)c2ccc(F)cc2)CC1 20612491 AGSPIGGSNFNIQY-INIZCTEOSA-N 334.391 1.973 0 40 EDAB O=C(Nc1cnc(N2CCOCC2)nc1)c1ccc2c(c1)OCO2 65225034 WEKRDWXEBKBQCO-UHFFFAOYSA-N 328.328 1.294 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@@H](O)c2cccc3ccccc23)no1 70636189 VJBDBGHAMUWYAP-OAHLLOKOSA-N 339.351 1.925 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 409391306 MTQKTVCVHFLHHA-UHFFFAOYSA-N 346.408 1.692 0 40 EDAB O=C(c1ncc2c(F)cccn12)N1CC[C@H](CN2CCOCC2)C1 528664350 VKUCTNBFNKYUSM-CYBMUJFWSA-N 332.379 1.268 0 40 EDAB COc1cc(S(=O)(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)ccc1C(=O)O 530154244 RWEWRDAHCLSVFN-RBQUTUCGSA-N 343.401 1.484 0 40 EDAB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cccc(OC)c2O)C1=O 409104791 IGRMGIBOZXFKIS-CLUBXZQOSA-N 337.353 1.999 0 40 EDAB Cc1nc(NC(=O)[C@@H](c2ccc(F)cc2)N2CCOCC2)nn1C 36752545 JOCKOSVPQKFPEI-CQSZACIVSA-N 333.367 1.275 0 40 EDAB O=C1OCCN1CCCNc1ccccc1S(=O)(=O)C(F)F 78882050 UUDDSWKQVVSUMD-UHFFFAOYSA-N 334.344 1.937 0 40 EDAB CC(=O)N1CCO[C@@H](c2cc(NCc3snnc3C)nc(C)n2)C1 72387920 QFYHEUIYFSYIFE-CYBMUJFWSA-N 348.432 1.477 0 40 EDAB Cc1n[nH]cc1C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 72340744 DGTJCCZPRQIQAP-UHFFFAOYSA-N 347.382 1.795 0 40 EDAB C[C@H](OC(=O)CN(C)c1ncccn1)C(=O)N(C)Cc1ccccc1 36759143 CRUZDORKILGFCQ-AWEZNQCLSA-N 342.399 1.503 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)C1 72237823 VBKFKECWAKNDDI-OKILXGFUSA-N 348.447 1.539 0 40 EDAB CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O 77263879 PFHUUTPTHGAWCT-INMHGKMJSA-N 338.423 1.596 0 40 EDAB biogenic,in-vitro CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1OC 71980205 LTISASKVCCOWBS-CQSZACIVSA-N 348.399 1.433 0 40 EDAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NC2CCCC2)c1 44893102 XVOHXLGDYZNPCU-UHFFFAOYSA-N 340.383 1.648 0 40 EDAB Cc1cc(C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)no1 70925646 CRHHXMATJYUYNL-UHFFFAOYSA-N 328.372 1.660 0 40 EDAB CSCC[C@@H](C(=O)Nc1nc(CC(N)=O)cs1)n1cccc1 575443305 WQTXJOGGOXORFR-NSHDSACASA-N 338.458 1.905 0 40 EDAB CC[C@@]1(C)CN(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CCO1 190235228 QZKWIYIMYOTIMP-AEFFLSMTSA-N 340.512 1.469 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(OC)cc2)c1 42524572 MAUQGYNPDVHZMG-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB N[C@@H](CC(=O)N1CCN(C(=O)c2ccoc2)CC1)c1ccccc1 195544199 VUWIYLJUDWKGMF-INIZCTEOSA-N 327.384 1.654 0 40 EDAB COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)Nc1ccccn1 227151052 NBSMUOSEVIJPAC-UHFFFAOYSA-N 335.385 1.593 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2C)C1 571571410 RJCBORHWFOIADZ-TZMCWYRMSA-N 326.418 1.134 0 40 EDAB C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccn(C)c(=O)c1 421633934 ORXBZRTUPNOBFG-GXTWGEPZSA-N 334.416 1.968 0 40 EDAB COCC[C@@H](CO)NC(=O)NCc1cc(Br)ccc1C 225584369 UIQSKGJYVQQLGT-ZDUSSCGKSA-N 345.237 1.954 0 40 EDAB Cc1cnc2n(c1=O)C[C@H](C(=O)NCCc1ccc(F)cc1)CS2 85473751 QYRYCOAMZDCLNP-ZDUSSCGKSA-N 347.415 1.772 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H](Cn2cncn2)C1 69869711 KOQZTBFWGLDIBW-HOTGVXAUSA-N 339.443 1.968 0 40 EDAB CN(C)C(=O)CCNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 223297840 IBAACDWGDMBIRH-INIZCTEOSA-N 337.807 1.818 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96110819 XEWKVNYKVQPFPQ-AWEZNQCLSA-N 326.418 1.181 0 40 EDAB Cc1noc(C)c1CN1CCc2ncnc(N3CCOCC3)c2CC1 96255709 NVFORCWHJSSDQI-UHFFFAOYSA-N 343.431 1.519 0 40 EDAB Cn1ccc(C(=O)NCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 96192342 HOHLHPCIXJBQJJ-UHFFFAOYSA-N 342.277 1.687 0 40 EDAB CC1(C)C[C@H](O)CCN(C(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)C1 585132137 OYAMANNYSHODSG-ILXRZTDVSA-N 341.448 1.697 0 40 EDAB CCOc1oc(C)nc1C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 585121218 ISQLBBVSURYDEU-ZDUSSCGKSA-N 335.404 1.760 0 40 EDAB COc1nc(C)cc(N[C@@H]2CCCN(C(=O)c3cc(C)no3)C2)n1 585135048 VMYPGYOZPOZWIV-GFCCVEGCSA-N 331.376 1.807 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CCN(c3ccncn3)C[C@H]2O1 96043010 RUUXTEJGMKGPDG-HRCADAONSA-N 339.399 1.172 0 40 EDAB COc1cc(C)c(S(=O)(=O)NC2CC(CO)(CO)C2)cc1Cl 585134601 BQPGMOMBOIGOFJ-UHFFFAOYSA-N 349.836 1.069 0 40 EDAB CN(C)C(=O)CO[C@H]1COC2(CCN(Cc3nccs3)CC2)C1 96047822 LXWKSFCTHLAHAT-CYBMUJFWSA-N 339.461 1.371 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](O)[C@@H]1Cc1cccnc1 96200122 PBTDVOAZCHYIOT-LSDHHAIUSA-N 326.352 1.628 0 40 EDAB Cc1ccc(CN2CCc3c(C(=O)N4CCOCC4)n[nH]c3C2)o1 96187451 VLWXQVBIYQAIKZ-UHFFFAOYSA-N 330.388 1.342 0 40 EDAB O=C(c1cnccn1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2)C1 96158193 YFPJRTSASJTDJG-IBGZPJMESA-N 337.427 2.000 0 40 EDAB Cc1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1C 96420611 BFCMPLZOFSZPNZ-GOSISDBHSA-N 327.428 1.851 0 40 EDAB Cc1cnc(CCNC(=O)N2CCN(Cc3ccccn3)CC2)s1 97096614 NLKVDKJZMQSBEH-UHFFFAOYSA-N 345.472 1.916 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3CCN(Cc4cccnc4)C(=O)[C@H]3C2)[nH]n1 96249073 KHBSBSXYWHYWMG-CABCVRRESA-N 339.399 1.234 0 40 EDAB COCCN1CCC[C@H](NC(=O)N[C@@H](C)Cc2c(C)noc2C)C1 96415569 CMCBYLFDYQXXAR-WFASDCNBSA-N 338.452 1.632 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2cnn(C)c2)s1 90581927 MOOFGAMXDOSMBE-NSHDSACASA-N 328.463 1.419 0 40 EDAB CCS(=O)(=O)N1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1 96239596 YZGVLBDVCFJOEY-AWEZNQCLSA-N 345.415 1.969 0 40 EDAB CN1CCC(COC[C@H]2CC[C@H]3[C@H](CCN3[C@H]3CCOC3)O2)CC1 96064791 JBNLUMBLMXQMSH-RDGPPVDQSA-N 338.492 1.756 0 40 EDAB CCNC(=O)N1C[C@@H]2C[C@H]1C(=O)N(CCOC)c1ccccc1O2 96111750 APKOJSMDNOLKOM-JSGCOSHPSA-N 333.388 1.231 0 40 EDAB biogenic,in-vitro O=C(NC1CC1)[C@H]1C[C@@]12CCN(S(=O)(=O)c1cccs1)C2 96227611 LGFWEPJHIYYIJR-BXUZGUMPSA-N 326.443 1.427 0 40 EDAB Cn1ncc2c1[C@@H](COCC1CC1)N(C(=O)c1ccnnc1)CC2 248030866 LAZFJEGVSDIGDR-OAHLLOKOSA-N 327.388 1.376 0 40 EDAB CNC(=O)[C@]1(C)CN(C(=O)Cc2ccc(F)c(Cl)c2)CCO1 257336319 YNXKMXIKUUTOCQ-HNNXBMFYSA-N 328.771 1.385 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cccnc3)CC2)C[C@H](O)C1(C)C 257276569 NUIDOQNDRMZZRT-INIZCTEOSA-N 345.443 1.696 0 40 EDAB O=C(CCOc1ccccc1)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257342218 ZNPAQDMGAYHCNB-ZHALLVOQSA-N 348.443 1.186 0 40 EDAB CN(C)CCNC(=O)CCCn1cc(COc2ccccc2)nn1 252490944 LFZVZUAADCSNMD-UHFFFAOYSA-N 331.420 1.315 0 40 EDAB Cc1cc(OCC(=O)N(C)[C@@H]2CC[C@@H](O)[C@@H]2O)c2ccccc2n1 257248724 JEXHHGXFLBRXFW-IIDMSEBBSA-N 330.384 1.265 0 40 EDAB CNc1cncc([C@@H]2CCCN2C(=O)Cn2nc3ccccc3n2)n1 257323336 WJTFSBWOUPJUOW-HNNXBMFYSA-N 337.387 1.627 0 40 EDAB Cc1ccccc1S(=O)(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257249778 JJSHOGNMPPCVTN-BFYDXBDKSA-N 338.473 1.603 0 40 EDAB Nc1nccnc1C[C@H]1CCCN(C(=O)CC2(O)CCCCC2)C1 257319392 VSFSXXMVMFUCHA-CQSZACIVSA-N 332.448 1.925 0 40 EDAB COCCC(=O)N(C)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257321530 WCBAXLRMTNWZON-VYDXJSESSA-N 325.380 1.981 0 40 EDAB Cn1nc(C(=O)N[C@@H]2CC=CCC2)c(O)c1C(=O)N[C@H]1CC=CCC1 252509149 YDIGSFALVUYTOY-OLZOCXBDSA-N 344.415 1.803 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(C(C)(C)C(=O)O)CC2)sc1C 530140793 KYPNYEGBIQBLNE-UHFFFAOYSA-N 346.474 1.534 0 40 EDAB Cn1cc([C@@H](NC(=O)c2cnn3c2[C@H](CN)CCC3)C(C)(C)C)cn1 592541668 HHVPLBSSQBLLBQ-BLLLJJGKSA-N 344.463 1.970 0 40 EDAB CC[C@H](C)[C@@H](C(=O)Nc1ccc(Cn2cncn2)cc1)n1cnnn1 604418819 FVCJDMJDDFPYBG-WFASDCNBSA-N 340.391 1.539 0 40 EDAB CC(C)(C)c1sc(C(=O)O)cc1S(=O)(=O)N1CC[C@@H]1C(=O)O 1615571378 IDULYVFZWBEKEC-SSDOTTSWSA-N 347.414 1.591 0 40 EDAB CCOC1CC(CCNC(=O)N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)C1 1615590069 XXTCSZLTLZIBCK-NEXFUWMNSA-N 335.452 1.061 0 40 EDAB O=C(c1cncc(O)c1)N1CCC[C@](O)(COc2cccc(F)c2)C1 585278377 RRSUDTFGKLIAKS-GOSISDBHSA-N 346.358 1.972 0 40 EDAB O=C(Cc1ccccc1)N1CC[C@](O)(CNC2CCCCC2)[C@@H](O)C1 585285486 YXNPVMKCCQQROA-ICSRJNTNSA-N 346.471 1.476 0 40 EDAB CO[C@]1(CC(N)=O)COCCN(C(=O)c2ccc(F)c(Cl)c2)C1 585280568 KPIUEHIZXKGAGA-HNNXBMFYSA-N 344.770 1.212 0 40 EDAB CCOC(=O)c1cnc(N2CCOC[C@@H]2c2ccnn2C)nc1C 585140854 KBZFOKRCHFZNPY-CQSZACIVSA-N 331.376 1.273 0 40 EDAB O=C(Cc1csc(N2CCCC2=O)n1)NCCc1ccc(O)cc1 65102995 PPGGHXRHCIWJMQ-UHFFFAOYSA-N 345.424 1.877 0 40 EDAB CCN(CC(=O)N1CCC[C@H]1C(=O)N1CCOCC1)c1ccccc1 69367857 OICKCXXNJUWTDG-KRWDZBQOSA-N 345.443 1.363 0 40 EDAB CN(C)CCn1ccc(NC(=O)CNC(=O)OCc2ccccc2)n1 72072074 QQZBVFBZZPYYIW-UHFFFAOYSA-N 345.403 1.310 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@H]1Cc2cc(Cl)ccc2O1 44721620 VWGCPNBNWWQDEB-TVQRCGJNSA-N 329.805 1.194 0 40 EDAB Cc1nc(-c2c[nH]c(C(=O)NC[C@H]3CCS(=O)(=O)C3)c2)cs1 44721167 JXEUWJULJMYNIN-SNVBAGLBSA-N 339.442 1.611 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(F)ccc2F)CC1 47974801 LACUAMTWAKKDFD-HNNXBMFYSA-N 337.370 1.343 0 40 EDAB Cc1ccc(C[C@H]2CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C2)cc1 51462777 FDTVNOKJJJNWNQ-GOEBONIOSA-N 338.473 1.714 0 40 EDAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(CCCO)CC1 51533534 BHKISLHZPRRGAK-HNNXBMFYSA-N 326.824 1.554 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)C2)no1 72231844 WODDRERFGJFWSA-ZIAGYGMSSA-N 334.420 1.589 0 40 EDAB CC(=O)c1cccc(OCCCC(=O)NC[C@@H](O)COCC2CC2)c1 72311683 RVNDGARORQDFOQ-QGZVFWFLSA-N 349.427 1.952 0 40 EDAB O=C1CCSc2ccc(C(=O)NCc3nnc4n3CCC4)cc2N1 40486219 PICSWPWXYXLBTB-UHFFFAOYSA-N 343.412 1.589 0 40 EDAB COc1ccc(CNC(=O)N2CCN(C[C@@H](O)C3CC3)CC2)cc1 85466801 OSHCIWCSUSGEBP-QGZVFWFLSA-N 333.432 1.293 0 40 EDAB C[C@@H](c1cccs1)N(C)CC(=O)N1CCN(c2cnccn2)CC1 42540945 ONSBOYUGIRCQEW-AWEZNQCLSA-N 345.472 1.880 0 40 EDAB Cc1cnc2cc(C(=O)N3C[C@H](N4CCOCC4)C[C@H]3C)ccn12 516936693 LAPUYZFTNMSGLZ-CZUORRHYSA-N 328.416 1.578 0 40 EDAB Cc1ccc(F)c(OCC(=O)N2CCC(N(C)CC(=O)O)CC2)c1 563130325 IKAMBZQTZDTLAA-UHFFFAOYSA-N 338.379 1.520 0 40 EDAB Cc1ccc(CNC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 5350511 IZYSYZLKYJIKSG-MRXNPFEDSA-N 346.427 1.803 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 12496126 GXSBDFGSOBTNIJ-XSUJLISDSA-N 336.413 1.335 0 40 EDAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 585149489 AVDKBMZKOGJRFP-CVEARBPZSA-N 335.492 1.872 0 40 EDAB Cc1nnc(NC(=O)[C@@H]2CCCN(c3cc4c(nn3)CCC4)C2)s1 585150579 UHOITPBTTOEHCK-GFCCVEGCSA-N 344.444 1.980 0 40 EDAB CN1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C[C@@H]1C(N)=O 1848353556 AZWKRRPPADPCMY-QGZVFWFLSA-N 339.395 1.720 0 40 EDAB O=c1c2ccc(F)cc2ncn1CC1CCN(Cc2nnco2)CC1 1848669895 NQOOHVQNADFGNG-UHFFFAOYSA-N 343.362 1.831 0 40 EDAB CCCC(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 7141128 GMUIBJOVWHVOET-UHFFFAOYSA-N 342.417 1.527 0 40 EDAB CC(C)N1CC[C@@H](N2CCC(Oc3ncc(Cl)cn3)CC2)C1=O 1888834612 VPSVBKGYNXTRJI-CQSZACIVSA-N 338.839 1.983 0 40 EDAB c1cnn(-c2cc(NCc3ccnc(N4CCOCC4)c3)ncn2)c1 1888897376 UTWORRTYZMLFJL-UHFFFAOYSA-N 337.387 1.506 0 40 EDAB Cc1nc(N2CCN(c3nccs3)CC2)cc(-n2cccn2)n1 1889136183 TYXWOXKICHCLTI-UHFFFAOYSA-N 327.417 1.754 0 40 EDAB O=C(NCc1nnc2ccccn12)[C@H]1CC(=O)N(Cc2ccccc2)C1 14170805 ILLDBEJPJNSUIW-HNNXBMFYSA-N 349.394 1.394 0 40 EDAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1C 23574362 URPDCGHSGPAXLH-MRXNPFEDSA-N 325.412 1.998 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)NCCc2cccs2)CC1 23792026 HIMZUMGRXNLYCG-UHFFFAOYSA-N 330.475 1.469 0 40 EDAB Cc1cccn2c(=O)cc(CN3CCN(CC(F)(F)F)CC3)nc12 24772081 LRIVCWVZCQSSCZ-UHFFFAOYSA-N 340.349 1.683 0 40 EDAB O=S(=O)(Cc1cccc(F)c1)N1CCn2nc3c(c2C1)CCC3 244933061 BZIZGMDVUNAGRO-UHFFFAOYSA-N 335.404 1.857 0 40 EDAB O=C(C1CCOCC1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037908977 JWZGPCMEZUIPPH-GOSISDBHSA-N 337.391 1.985 0 40 EDAB CCn1nc(C)c(CN2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)c1C 2037983885 JXWLLEJBYOJZPB-LJQANCHMSA-N 348.491 1.979 0 40 EDAB Cc1cccc(-c2nnn3c2CO[C@H](CNC(=O)C2(F)CC2)C3)c1 1614935854 VXRBWCUHOFVYCV-CYBMUJFWSA-N 330.363 1.771 0 40 EDAB COc1ccc(CNC(=O)N2CCN(c3cccnc3)C(=O)C2)cc1 1565522242 FAUNFSKZOYONBR-UHFFFAOYSA-N 340.383 1.649 0 40 EDAB CCSc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C 4139174 UTUNXKHJUWZROV-UHFFFAOYSA-N 334.426 1.868 0 40 EDAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N1CCCC1 4326854 IXMWSMHTROSMKR-UHFFFAOYSA-N 340.412 1.901 0 40 EDAB COc1cccc(C(=O)NCCS(=O)(=O)N2CCC[C@@H](C)C2)c1 5272929 OCTRQFGMQBXTJZ-CYBMUJFWSA-N 340.445 1.487 0 40 EDAB COc1ccccc1OCC(=O)N1CCC[C@@H](Oc2ncccn2)C1 575612226 JOBDOFLRBUEJIZ-CQSZACIVSA-N 343.383 1.934 0 40 EDAB COc1ccccc1C1(C(=O)NCCOCCn2cccn2)CC1 575619608 KOJVFMQPJYCZFC-UHFFFAOYSA-N 329.400 1.756 0 40 EDAB COCc1cn([C@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3)C2)nn1 585149790 WBJNEHYKWCGTNC-HIFRSBDPSA-N 330.388 1.665 0 40 EDAB O=C(c1ccc(S(=O)(=O)NC2CC2)o1)N1CCc2ccccc21 30568509 JIEXNRPOKWVABW-UHFFFAOYSA-N 332.381 1.923 0 40 EDAB O=C1CCCCCN1CC(=O)N1CCC[C@H]1c1nnc2ccccn12 31503577 QRKOPSDBUDTXDD-AWEZNQCLSA-N 341.415 1.795 0 40 EDAB COC(=O)COc1ccc(NC(=O)c2csc(NC(C)=O)n2)cc1 40535892 UATLAXYRKCDMEJ-UHFFFAOYSA-N 349.368 1.906 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC(=O)N(CC2CC2)C1 40508678 YTYSUTSNBCUDTI-CQSZACIVSA-N 344.415 1.115 0 40 EDAB Cc1ccc([C@@H](CNS(=O)(=O)N(C)C(C)C)N2CCOCC2)o1 40528074 VLHPOJPPQNBNMP-CQSZACIVSA-N 345.465 1.136 0 40 EDAB CC(C)N(C)Cc1ccccc1CNS(=O)(=O)c1cnn(C)c1 40528187 DXMKVOZVGDBOGT-UHFFFAOYSA-N 336.461 1.739 0 40 EDAB Cn1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c2ccccc21 32100538 GMJIBZOFRVOWPO-KRWDZBQOSA-N 341.411 1.642 0 40 EDAB CCCCC(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 20904608 NOESZWYKVQWNEP-UHFFFAOYSA-N 347.459 1.759 0 40 EDAB O=C(Cn1cccc2oc(=O)nc1-2)NC[C@@H]1Cc2ccccc2O1 102110514 NUZCXQFQXDBZIQ-LBPRGKRZSA-N 325.324 1.061 0 40 EDAB CC1CCN(C(=O)C2CCN(c3ncnc4c3cnn4C)CC2)CC1 52470339 MLFQZCBYGMLJHH-UHFFFAOYSA-N 342.447 1.838 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1nnc2n1CCCC2 41141228 ZCBWMXXKALAEIX-BDJLRTHQSA-N 328.372 1.459 0 40 EDAB CN(C)[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)c1ccco1 21903021 QRVOEUYPLNZWRS-OAHLLOKOSA-N 340.383 1.409 0 40 EDAB COc1ccc(OCc2noc(CN3CCN(C(C)=O)CC3)n2)cc1 22189386 SKDRNCCYPVPPRB-UHFFFAOYSA-N 346.387 1.321 0 40 EDAB CC1CCN(CCCNC(=O)c2cccnc2N2CCOCC2)CC1 41999463 KBFKECQIHBXCNX-UHFFFAOYSA-N 346.475 1.770 0 40 EDAB O=C(NCc1ccccc1CN1CCOCC1)N1CCC[C@H](O)C1 53984964 MHHFSCVHUDPAEO-KRWDZBQOSA-N 333.432 1.185 0 40 EDAB C[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCCO1 23196418 PAOUDZAAQXHHME-DOMZBBRYSA-N 338.429 1.524 0 40 EDAB CCn1nnc(NC(=O)c2cc(Br)ccc2OC)n1 557817 VLWBZQFZULYRIJ-UHFFFAOYSA-N 326.154 1.716 0 40 EDAB COc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1OC 3164385 GALRLRVDSBMRED-UHFFFAOYSA-N 326.399 1.750 0 40 EDAB COC(=O)c1cc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)ccc1O 79021052 OCUNISDTAVMIFP-UHFFFAOYSA-N 348.340 1.251 0 40 EDAB CC(=O)Nc1ccc(S(C)(=O)=O)cc1I 1703866 VLFPBPCHUDXVGJ-UHFFFAOYSA-N 339.154 1.653 0 40 EDAB O=C(O)[C@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]12 4294085 OKWDWXQSIUNHER-MRTMQBJTSA-N 335.362 1.662 0 40 EDAB NC(=O)CCCNC(=O)CCOc1ccccc1Br 55363387 ROLDAAQXTCSRAZ-UHFFFAOYSA-N 329.194 1.600 0 40 EDAB CC/C(Nc1ccc(C)cc1)=C1\C(=O)NC(=S)N(CCOC)C1=O 6907266 ORMAYYQBKBZLAO-YPKPFQOOSA-N 347.440 1.961 0 40 EDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCOC2)c1 56130096 XPVQEWGYODVSHA-JTQLQIEISA-N 347.820 1.832 0 40 EDAB COc1ccc(CCNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 25527610 JFUFBAAMDOVIFM-HNNXBMFYSA-N 340.445 1.168 0 40 EDAB O=C(CN1CCC[C@H](C(=O)O)C1)Nc1ccc(Br)cn1 35297122 BDKFJWFIJHIVNX-VIFPVBQESA-N 342.193 1.579 0 40 EDAB C[C@H](O)CN1CCC(CN(C)Cc2nc(-c3cccnc3)no2)CC1 72267445 ZMKDPYFKORHSGH-AWEZNQCLSA-N 345.447 1.656 0 40 EDAB O=C(NCCC(=O)N1CCCC[C@H]1CN1CCOCC1)c1ccco1 72277570 MSVMTNXEKMSJGP-HNNXBMFYSA-N 349.431 1.113 0 40 EDAB CCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)O)cc1 108242228 GGRZJYQOUIFMCX-ZDUSSCGKSA-N 325.386 1.560 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)CCc1cccnc1 72284341 HYVKULZRZOEUKF-UHFFFAOYSA-N 325.372 1.283 0 40 EDAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(S(N)(=O)=O)o1 83003683 ZHBGFWUYFLSDOH-LLVKDONJSA-N 349.412 1.408 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(-n2cnnn2)cc1 48237269 VWOMXDNONYIMPC-JTQLQIEISA-N 326.316 1.012 0 40 EDAB CS(=O)(=O)Cc1cccc(CNC(=O)c2cccnc2S)c1 58230129 XHWAYTSWZHBDPE-UHFFFAOYSA-N 336.438 1.845 0 40 EDAB CCOc1cc(CNCCN(C)C)cc(Cl)c1OCC(N)=O 22075694 BPNNSBSEYFRGCJ-UHFFFAOYSA-N 329.828 1.254 0 40 EDAB COc1ccc(Cl)cc1CC(=O)NCCCN(C)S(C)(=O)=O 44919121 AVGNJRQHQMIZQW-UHFFFAOYSA-N 348.852 1.289 0 40 EDAB COc1ncccc1CNC(=O)NC[C@H](O)c1ccc(F)cc1F 44955275 CBHYYZVVQLHKRP-AWEZNQCLSA-N 337.326 1.901 0 40 EDAB CC(=O)Nc1cccc(NC(=O)COc2c(C)n(C)ccc2=O)c1 44900856 DIYTZHQRMPFPMP-UHFFFAOYSA-N 329.356 1.670 0 40 EDAB CCn1c(=O)cc(Cl)n(CC(=O)N[C@H]2CCCC[C@@H]2C)c1=O 95464693 HPPCPGOWSKNWHT-QWRGUYRKSA-N 327.812 1.378 0 40 EDAB CS(=O)(=O)CCOc1cccc(N[C@H](C(N)=O)c2ccccc2)c1 58315203 YEZNRQZQEFNXRO-INIZCTEOSA-N 348.424 1.749 0 40 EDAB CCOc1ccc(-c2nc(CC(=O)N[C@@H](C)C(N)=O)cs2)cc1 45054617 JBZYJIDJCQPBKA-JTQLQIEISA-N 333.413 1.741 0 40 EDAB COCCN(C)C[C@H]1CCCN1C(=O)NCc1ccccc1OC 58431378 QDAYNAZCPYAPLV-MRXNPFEDSA-N 335.448 1.947 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCN2CCCS2(=O)=O)o1 58431600 JFUGCBQSRLMPIP-HRLNJXSSSA-N 338.429 1.568 0 40 EDAB COc1ccc(C(N)=O)c(OCC(=O)NCCc2ccccc2C)c1 48342973 HHYKLUUTAKIUQE-UHFFFAOYSA-N 342.395 1.840 0 40 EDAB COc1cc(Cl)ccc1S(=O)(=O)N(CC(=O)O)CC1CC1 36885620 IMVVASLRNDNWKW-UHFFFAOYSA-N 333.793 1.834 0 40 EDAB CC[C@@H](CNC(=O)c1cc(S(=O)(=O)NC)cn1C)c1ccccc1 29702816 IQTNYRZNTPRVLP-ZDUSSCGKSA-N 349.456 1.857 0 40 EDAB CC(=O)NCCNC(=O)CN1CCC[C@H](c2nc3ccccc3o2)C1 29826611 VGUKTSROTJRFJG-AWEZNQCLSA-N 344.415 1.260 0 40 EDAB NC(=O)c1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1 29842287 HUFIWWZBHUBNBF-UHFFFAOYSA-N 337.423 1.964 0 40 EDAB CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc2c(c1)OCCO2 11999605 SCBBMPGNQBMJLN-LBPRGKRZSA-N 328.434 1.466 0 40 EDAB C[C@H](Nc1ccn(CCS(C)(=O)=O)n1)c1nc(C(C)(C)C)no1 84667608 UDTGXTKUFUPCKL-JTQLQIEISA-N 341.437 1.781 0 40 EDAB NC(=O)C1CCN(C(=O)/C=C/c2c(Cl)nc3sccn23)CC1 25706697 KQEBLUJALCLNPU-OWOJBTEDSA-N 338.820 1.786 0 40 EDAB CC(C)n1ncc2cc(C(=O)N[C@H](C)CN3CCOCC3)cnc21 46888702 BOUPVGPNGQRFDP-CYBMUJFWSA-N 331.420 1.463 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)C1CCN(S(C)(=O)=O)CC1 47009598 JQIPCBUCPIOACU-UKRRQHHQSA-N 346.493 1.370 0 40 EDAB COc1ccc(OC)c2c1CN(C(=O)NC[C@H]1CCOC1)C[C@H]2O 47067335 FUDNBAOMZSOZOW-DGCLKSJQSA-N 336.388 1.299 0 40 EDAB O=C(O)[C@]1(O)[C@H](c2ccccc2)[C@@H](c2ccccc2)Nc2ncnn21 72332389 KYYRQCBFOZVMLT-IIDMSEBBSA-N 336.351 1.958 0 40 EDAB O=C(Cc1nnc(O)c2ccccc12)N[C@H](C(=O)O)c1ccccc1 13549456 VCSKWIAMNNLHKC-INIZCTEOSA-N 337.335 1.820 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2C(N)=O)c1C 9248029 PNURJOQAGDMQHR-UHFFFAOYSA-N 330.340 1.779 0 40 EDAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=S)NC1CC1 13691404 RJYREYPSHNMQFW-UHFFFAOYSA-N 346.500 1.300 0 40 EDAB COc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cn1 5199223 PEZTYBVSRRYQCK-UHFFFAOYSA-N 325.324 1.715 0 40 EDAB COCCOc1ccc(S(=O)(=O)N(C)C(C)(C)C(=O)OC)cc1 65495187 CRFJSKNTNCVYME-UHFFFAOYSA-N 345.417 1.284 0 40 EDAB C[C@@H](C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)n1cncn1 65437279 BMBZSDVZQIYTKG-JTQLQIEISA-N 336.779 1.970 0 40 EDAB Cc1ccnc2nc(C(=O)Nc3ccn(CCc4ccccn4)n3)nn12 65503602 HPXPMOHBDSFXKI-UHFFFAOYSA-N 348.370 1.519 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c1C 65512827 SNCITIWZPVVQDA-AWEZNQCLSA-N 345.486 1.633 0 40 EDAB O=C(Cn1[nH]c(=O)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 14111727 CIKISCBKXZKLGA-UHFFFAOYSA-N 337.335 1.968 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 65606787 RGEZGIDNVPBZLN-JGVFFNPUSA-N 348.325 1.818 0 40 EDAB COc1nc(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)n[nH]1 179374027 ZPZQOAQZDZRVPM-CYBMUJFWSA-N 331.376 1.043 0 40 EDAB COC(=O)C[C@@H](NC(=O)CCC(=O)O)c1ccc(SC)cc1 4673156 MJKUPBGXBIZGTD-GFCCVEGCSA-N 325.386 1.994 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@H](O)c1ccc(F)c(F)c1)CC2 97202507 HXIMAIPAVWOPGN-INIZCTEOSA-N 334.370 1.913 0 40 EDAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 5700668 IMGMNTCBIYDKOG-WPRPVWTQSA-N 345.804 1.881 0 40 EDAB COC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(N)cc(N)n2)cc1 4931379 AOULMZKKONBJIN-QMMMGPOBSA-N 347.400 1.547 0 40 EDAB CC(=O)c1cn(Cc2ccc(Br)s2)c(=O)n(C)c1=O 96466334 HBJBINUSVKFTQY-UHFFFAOYSA-N 343.202 1.622 0 40 EDAB Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)N(C)C 5924993 INOZQKVJWSQOKM-UHFFFAOYSA-N 325.415 1.954 0 40 EDAB CCCNC(=O)c1nsc(C(=O)NCc2ccc(OC)cc2)c1N 67334940 SMSYOYBBHCLUGA-UHFFFAOYSA-N 348.428 1.804 0 40 EDAB Cc1cc(C(=O)NCC[C@H]2CN(C3CCOCC3)CCO2)ccc1O 67490436 JEZULPZPWTUKJN-KRWDZBQOSA-N 348.443 1.700 0 40 EDAB Cn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1C1CC1 7191913 IFPIRRPKFCOEDG-UHFFFAOYSA-N 344.396 1.998 0 40 EDAB CCS(=O)(=O)NCCSc1nccn1-c1cccc(OC)c1 68044253 RSPMNRNMUVJFRP-UHFFFAOYSA-N 341.458 1.912 0 40 EDAB Cc1ccc(CSCCNC(=O)N2CCS(=O)(=O)CC2)cc1 71803881 WCCXPIHLPJDQKM-UHFFFAOYSA-N 342.486 1.668 0 40 EDAB Cn1c(CCNC(=O)c2cn3cccnc3n2)nc2c(F)cccc21 71896395 IDKYYUFFCFZVGE-UHFFFAOYSA-N 338.346 1.728 0 40 EDAB COc1ccc([C@@H](C)NC[C@H]2CCCN2S(C)(=O)=O)c(F)c1 90799483 XLTGUBDDOLHHLC-VXGBXAGGSA-N 330.425 1.909 0 40 EDAB CN(C)CC(=O)Nc1cccc(CNC(=O)NCCn2cccc2)c1 84417599 CLLNOFTWDPLHBS-UHFFFAOYSA-N 343.431 1.488 0 40 EDAB O=C1CO[C@H]2CN(Cc3cccnc3)C[C@H]2N1Cc1ccc(F)cc1 67897188 BRCNNWCMNJROKV-MSOLQXFVSA-N 341.386 1.833 0 40 EDAB biogenic,in-vitro O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCc2[nH]c3ccccc3c2C1 84593418 MPJLVXKYTJBKPM-LLVKDONJSA-N 333.413 1.423 0 40 EDAB CCOc1ccc(OC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1 24094678 YFXQRDSAYVHJDD-ZDUSSCGKSA-N 348.399 1.690 0 40 EDAB Cc1ccc([C@](O)(CC(=O)OCC(=O)NC(C)C)C(F)(F)F)o1 71920039 MXDJHNLVFUAALP-CYBMUJFWSA-N 337.294 1.796 0 40 EDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)OCO2 8193032 HTOFHLBGOZAKBB-UHFFFAOYSA-N 331.328 1.315 0 40 EDAB c1nc2n(n1)C[C@@H](NCc1c[nH]nc1-c1ccc3c(c1)OCO3)CC2 69459835 BMYJKVPIASCQFV-ZDUSSCGKSA-N 338.371 1.502 0 40 EDAB Cc1cnc(S(=O)(=O)Cc2noc(Cc3ccccc3)n2)nc1 91575169 NFUMPGBGNILYOA-UHFFFAOYSA-N 330.369 1.733 0 40 EDAB CNC(=O)Cc1ccccc1NC(=O)N[C@H](C)C(=O)NC(C)(C)C 69585424 XBLAYXZHKQFVLJ-LLVKDONJSA-N 334.420 1.400 0 40 EDAB CNC(=O)NC(=O)CN1CCC(c2nc(-c3ccccc3)no2)CC1 69516741 ZBDWBTYWMGBQKI-UHFFFAOYSA-N 343.387 1.372 0 40 EDAB CC[C@@H]1CN(Cc2nccn2CC(F)(F)F)CCN1CCOC 69739249 QWLVFTRPSGACLM-CYBMUJFWSA-N 334.386 1.988 0 40 EDAB O=C(NCC1(c2ccc3c(c2)OCO3)CC1)N1CCC[C@H](CO)C1 69740743 UOUCHAIGCFQFQD-ZDUSSCGKSA-N 332.400 1.861 0 40 EDAB Cc1nnc2ccc(C(=O)N3CSC[C@H]3C(=O)N(C)C(C)C)cn12 69742993 PHVJLUIWVHMWRP-ZDUSSCGKSA-N 347.444 1.420 0 40 EDAB CCNC(=O)c1cccc(NC(=O)N2CCCN(C(=O)OC)CC2)c1 69771409 WWCAHOKYWABSFZ-UHFFFAOYSA-N 348.403 1.742 0 40 EDAB CC(=O)N(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C)cc1C 69898147 KTTYZFLTNDHMPT-OAHLLOKOSA-N 349.456 1.622 0 40 EDAB O=S(=O)(c1ccc(-n2cccn2)c(F)c1)N1CCSCC1 69948054 NWYREHIZNHDWFC-UHFFFAOYSA-N 327.406 1.749 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccco3)C(=O)O2)c1 96814862 CRZFCXZBAXPLHN-GXDHUFHOSA-N 346.364 1.874 0 40 EDAB C[C@H](NS(=O)(=O)c1cnn(C)c1)[C@H](O)c1ccc(Cl)cc1 95972926 QSJQKOZEWSWEPL-ZANVPECISA-N 329.809 1.474 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N(C)C[C@H](C)c1nnn[nH]1 95941933 OCVFPEBZVDPPCO-VIFPVBQESA-N 329.813 1.586 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)NCc1nc2ccccc2c(=O)n1C 95996758 LULRSTNMORTTDC-SECBINFHSA-N 343.305 1.517 0 40 EDAB COCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 95999113 ABZNPNSPBXEMMN-CQSZACIVSA-N 338.429 1.016 0 40 EDAB COC(=O)CN(C)CCNC(=O)c1c(C)oc2ccc(OC)cc12 89534371 HVNHZWASTOXHPP-UHFFFAOYSA-N 334.372 1.584 0 40 EDAB COc1ccc(CNC(=O)NCCNC(=O)CC2CCCC2)cn1 75126734 CIBZBENEFNDULT-UHFFFAOYSA-N 334.420 1.586 0 40 EDAB O=C(NCc1nnc2n1CCCC2)c1ccc(-c2ccccc2)[nH]c1=O 75120296 KHOZLYPVKCHSOR-UHFFFAOYSA-N 349.394 1.900 0 40 EDAB O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(C(=O)C2CC2)CC1 306144842 ZPZHIXKJOCUUBM-UHFFFAOYSA-N 343.431 1.135 0 40 EDAB Cc1cc(N(C)C)nc([C@@]2(C)CCCN2C(=O)Cn2cccn2)n1 72388460 GGXMHLSHNRDKFN-QGZVFWFLSA-N 328.420 1.585 0 40 EDAB Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(S)nn23)cc1 61966086 GVDCNRIBVBRHRJ-UHFFFAOYSA-N 349.441 1.242 0 40 EDAB Cc1cccc(NC(=O)[C@@H]2CSCN2S(=O)(=O)N(C)C)c1C 69810923 JJJPKTPZXSDEMW-ZDUSSCGKSA-N 343.474 1.423 0 40 EDAB O=S(=O)(NCCO)c1ccc(-c2cnc3c(c2)CCCO3)cc1 527586348 DRVQTVHVIQVJCE-UHFFFAOYSA-N 334.397 1.344 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(-c2ncon2)c1 73084336 LZEUHTMRFQZJTD-OAHLLOKOSA-N 336.351 1.563 0 40 EDAB COCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C 217416888 NJKHEDHIPKYOFR-UHFFFAOYSA-N 330.406 1.520 0 40 EDAB CC[C@](C)(NC(=O)c1nc(C)n(-c2nnc[nH]2)n1)c1nc(C)cs1 225560373 ZYNXTKLJEBWROH-AWEZNQCLSA-N 346.420 1.514 0 40 EDAB CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCCN2CCC[C@@H]2C1 69813462 GKIYUGGRHQTIRS-ZIAGYGMSSA-N 339.505 1.631 0 40 EDAB COc1ccc(OC)c(/C=C/C(=O)NC2CCN(C(C)=O)CC2)c1 44870829 ROQOMXUWRQFJCZ-QPJJXVBHSA-N 332.400 1.844 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)cc1Cl 577465315 AFRJTJXLQAQYDZ-NSHDSACASA-N 349.792 1.131 0 40 EDAB CC(C)c1nc(N[C@@H]2CCCN(CC(F)(F)F)C2)nc(N(C)C)n1 577540665 JHGZPKUHSASHRX-LLVKDONJSA-N 346.401 2.500 0 40 EDAB Cc1cc(C)n(-c2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)n1 95476209 HBQUSKVXXHKRRO-AWEZNQCLSA-N 333.413 1.406 0 40 EDAB O=C(NC[C@H]1COCc2nc3cc(F)ccc3n21)c1cnccn1 96112497 WVFAYGOPVANZLV-NSHDSACASA-N 327.319 1.467 0 40 EDAB biogenic,in-vitro CCOC(=O)c1nnn(CC(=O)c2ccc(F)cc2)c1C(=O)OCC 98211149 MJPLBHXKNFPRLS-UHFFFAOYSA-N 349.318 1.654 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(c2ncccn2)C[C@H]2OCC[C@H]21 97953404 SFYNVOXITCRYHJ-RRFJBIMHSA-N 328.372 1.227 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1n[nH]c2c1-c1ccccc1CC2 96125583 QYIIQOMJSLTSBY-LLVKDONJSA-N 331.397 1.092 0 40 EDAB Cc1ccc(CN2CCOC[C@]3(C[C@H](Cn4cnnc4)CO3)C2)s1 96240603 BMIJFISDHZKRHU-WBVHZDCISA-N 348.472 1.956 0 40 EDAB O=C(NCC1(c2ccccn2)CCC1)N[C@H]1CC(=O)N2CCCC[C@H]12 580346718 VVWVFHRPVUVAEP-LSDHHAIUSA-N 342.443 1.956 0 40 EDAB Cc1ccc(CN[C@H]2CCc3c(ccc(=O)n3CCN(C)C)C2)o1 96189637 HGQYYHPMEOUDOR-INIZCTEOSA-N 329.444 1.958 0 40 EDAB COCC(=O)N[C@@H]1CN(Cc2scnc2C)C[C@@H]2CCCO[C@@H]21 96040643 OQYDYPLDVBTPKU-ZENOOKHLSA-N 339.461 1.194 0 40 EDAB Cc1noc(C)c1CN1C[C@@H]2COC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 96038637 VCSWAVLOLUBEGP-DJIMGWMZSA-N 349.431 1.540 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1csc(-c3ncccn3)n1)C2 97199187 NHUSDXZNTHEUMV-NSHDSACASA-N 340.412 1.850 0 40 EDAB Cn1cccc1C(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccnc3)C[C@@H]21 248126566 LVSKLXKHAWUSGK-JFIYKMOQSA-N 340.427 1.297 0 40 EDAB Cc1cc(OC2CN(C(=O)Cn3cccc3)C2)cc(=O)n1C1CC1 245188063 ZYTXUSDEHOMAQY-UHFFFAOYSA-N 327.384 1.583 0 40 EDAB Cc1ccn(CCC(=O)N2CCOC[C@H]2CCc2cnccn2)n1 257284796 PEJFTUUSOBWEHL-MRXNPFEDSA-N 329.404 1.232 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1C(=O)c1cccn1C 257325670 WTYCBNGRRZTVAC-OAHLLOKOSA-N 341.415 1.737 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CN(Cc3cccc(F)c3)CCO2)n1 257334510 YGGFRGJXSCVVGU-KRWDZBQOSA-N 344.390 1.825 0 40 EDAB O=C(O)c1ccc(O[C@@H]2CN(C(=O)Cc3ccccc3)C[C@H]2O)cc1 257276503 NUAQABWMBPNKFM-IAGOWNOFSA-N 341.363 1.578 0 40 EDAB COCc1cccc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)c1 257266351 MCQCADFBUZMAEQ-IRXDYDNUSA-N 329.400 1.868 0 40 EDAB COCCN1CC[C@@H](Cc2cncc(-c3cncc(C(=O)O)c3)n2)C1 257241940 IAHJJCSMDNQUCK-ZDUSSCGKSA-N 342.399 1.748 0 40 EDAB CC(=O)N1CCCN(Cc2cncc([C@H]3CCCN3C(C)=O)n2)CC1 257263582 LQQLZEQLYMADSL-GOSISDBHSA-N 345.447 1.214 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2C(=O)N2CCCC2)C1 284497947 HZSLSVLDFRGRCT-CYBMUJFWSA-N 344.415 1.652 0 40 EDAB Cc1ncc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)c(C)n1 281306429 UHHIKDIWLNXEDZ-KBPBESRZSA-N 344.394 1.572 0 40 EDAB CCO[C@@H](CS(=O)(=O)Nc1c(O)cccc1C(=O)OC)C1CC1 1615587763 RASIZJMUVUDBPF-ZDUSSCGKSA-N 343.401 1.736 0 40 EDAB C[C@H]([C@@H]1CCCCN1Cc1nccn1C)N1CCCS1(=O)=O 1615615489 XUQXURDQCUGTHZ-KGLIPLIRSA-N 326.466 1.199 0 40 EDAB COc1ccc(-c2ncc(C(=O)N3CCN[C@H](CCO)C3)s2)cc1 1616040884 GWAWALCRVFZFMF-CYBMUJFWSA-N 347.440 1.615 0 40 EDAB CC[C@@H](Cn1nnnc1N1CCC(CO)(OC)CC1)c1ccccc1 1616034238 YMEGMARENPCUBO-HNNXBMFYSA-N 345.447 1.845 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)C(F)(F)c2ccccn2)cc1 390833637 KROZHDMYCGRTOY-UHFFFAOYSA-N 327.312 1.460 0 40 EDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)C2CC(F)C2)C3)n1 575406349 ZXGDKYZCYPUVPV-RUXDESIVSA-N 335.379 1.672 0 40 EDAB O=C(NCCc1ccccc1)NCCn1cnc(C2CC2)cc1=O 575413773 HQAVRTVBISBZKJ-UHFFFAOYSA-N 326.400 1.663 0 40 EDAB CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)c2cncnc2)C1 585276272 HQXVLIZTDFIFSK-KRWDZBQOSA-N 331.347 1.926 0 40 EDAB Cc1nccc(N2CCOC[C@@](O)(COc3cccc(F)c3)C2)n1 585276870 SESAGEMOOMRXNC-QGZVFWFLSA-N 333.363 1.571 0 40 EDAB CCCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1cccc(C)c1 585288087 PDSMMDDBIVSIBL-QFZOCGTJSA-N 333.428 1.615 0 40 EDAB O=C(C1CC(O)C1)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 585100963 MGTHMVMRCRLIPM-RWKZGTHUSA-N 329.400 1.198 0 40 EDAB CCOC(=O)[C@@H]1CN(C(=O)c2nnsc2C)Cc2ncn(CC)c21 585110663 XKQVLTAJTBQDPK-SNVBAGLBSA-N 349.416 1.366 0 40 EDAB COCCN1CC[C@]2(CN(C(=O)c3cocn3)CC(F)(F)C2)C1=O 585093209 JKSJZJNVINSVJG-AWEZNQCLSA-N 343.330 1.021 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCc1cccc2c1OCCO2 69486689 DPJYSFQGAGFPFW-UHFFFAOYSA-N 337.401 1.287 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cccc(N3CCNC3=O)c1)C2 69461618 JBVZOFJPMNHBHJ-UHFFFAOYSA-N 340.387 1.026 0 40 EDAB COCc1nc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cs1 71830943 XIUCENJVVVSIRL-UHFFFAOYSA-N 336.417 1.544 0 40 EDAB NC(=O)CN(CCn1cccn1)Cc1ccc(Br)cc1 71824760 AGFNMIHHWQSRHO-UHFFFAOYSA-N 337.221 1.633 0 40 EDAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)NCC(F)(F)F 47948924 MGSXRRMGLUUSBN-UHFFFAOYSA-N 344.742 1.975 0 40 EDAB NC(=O)Cc1csc(NC(=O)Cc2ccc3c(c2)OCCO3)n1 48312345 QBKMOHVGPNPXKA-UHFFFAOYSA-N 333.369 1.123 0 40 EDAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(=O)[nH]c1 55624150 JZNQKAXJHBSAFT-UHFFFAOYSA-N 335.363 1.515 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N3CCC[C@H]3C3CCCC3)cnc21 56034469 ANNWQXFRPTTXDS-AWEZNQCLSA-N 329.404 1.311 0 40 EDAB O=C(Cc1cccc(F)c1)NCCNS(=O)(=O)c1ccccc1 40493877 LUONQKZGNRTKKG-UHFFFAOYSA-N 336.388 1.463 0 40 EDAB C[C@H]1CN(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)C[C@H](C)O1 40496312 LYGCXESIQFSECU-QWRGUYRKSA-N 334.388 1.751 0 40 EDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N(C)c2cnn(C)c2)cc1 75147956 BHGWKCPYPRGHND-RMKNXTFCSA-N 334.401 1.004 0 40 EDAB Cc1sc(Br)cc1S(=O)(=O)NCC[C@H](C)N 87308085 UROFWCHXPKFSMJ-LURJTMIESA-N 327.269 1.835 0 40 EDAB CC[C@@H]1CN(C(=O)C2CC2)[C@H](CO)[C@@H]1CN1CCC(F)(F)CC1 1772594903 FRLNFOAWOOUUDY-BPLDGKMQSA-N 330.419 1.973 0 40 EDAB CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 5850961 TXJIOKSSHCOKKH-UHFFFAOYSA-N 345.374 1.926 0 40 EDAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cnccn2)CC1 11963885 ATUOCICGCGHFQS-UHFFFAOYSA-N 338.820 1.641 0 40 EDAB Nc1cc(-c2ccco2)nn(CC(=O)NCc2ccc(F)cc2)c1=O 12146605 QPXLHOVJUVYUIP-UHFFFAOYSA-N 342.330 1.541 0 40 EDAB CCc1onc(C)c1C(=O)N1CC[C@@H](c2cc(O)nc(N(C)C)n2)C1 12406514 UOFJIXMPRWIKDI-LLVKDONJSA-N 345.403 1.737 0 40 EDAB O=S1(=O)CC[C@H](NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 12739561 FZHKONYHLVEDDV-ZMSDIMECSA-N 339.457 1.218 0 40 EDAB Cc1ccccc1OCCn1cc(S(=O)(=O)N(C)C)ccc1=O 12918680 DTTSTLPSCASALP-UHFFFAOYSA-N 336.413 1.486 0 40 EDAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCc1ccco1 15910111 IOJHOLIXIGTNCM-UHFFFAOYSA-N 326.308 1.594 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)C)cc1C 16692211 JOJLGEFKQKECQL-UHFFFAOYSA-N 342.461 1.786 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCC[C@H](Oc3cnccn3)C2)CC1 225469177 LAWYVFXWDYQDNV-HNNXBMFYSA-N 332.404 1.105 0 40 EDAB CCOc1cccc([C@@H](C)NC(=O)c2nc(N)nc(N(C)C)n2)c1 565732517 VNGWAUGHFDAKMR-SNVBAGLBSA-N 330.392 1.410 0 40 EDAB CCOC(=O)CCCNC(=O)COC(=O)Cc1ccc(Cl)cc1 3325834 AVGUPRSGWJVLCO-UHFFFAOYSA-N 341.791 1.885 0 40 EDAB Nc1cc(N)nc(SCC(=O)NCCc2ccc(Cl)cc2)n1 3605657 FILFBAAKMGHTFE-UHFFFAOYSA-N 337.836 1.745 0 40 EDAB CC(C)(C)NC(=O)NC(=O)COC(=O)CCC(=O)c1cccs1 5078670 IUKQTXHRWYTZAI-UHFFFAOYSA-N 340.401 1.879 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(c3ncnc(C)c3C)CC2)n1 1889084239 QASZHSVVNJGROZ-UHFFFAOYSA-N 327.436 1.584 0 40 EDAB CC(C)(C)c1ccc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)nn1 1889103092 DZUFKPGKCFMMIQ-LBPRGKRZSA-N 338.477 1.825 0 40 EDAB O=C(Cn1nc(-c2ccco2)oc1=O)NCCc1ccc(F)cc1 13986085 WWPWBBGDILWQIF-UHFFFAOYSA-N 331.303 1.594 0 40 EDAB CC(C)N1CCC(NC(=O)c2c(Br)cnn2C)CC1 2781745 DJRGOQQFLZRQKW-UHFFFAOYSA-N 329.242 1.785 0 40 EDAB CCOc1ccc2nnc(CNC(=O)c3ccc(C(C)=O)s3)n2n1 244970153 HLVLRARQDZJYRZ-UHFFFAOYSA-N 345.384 1.717 0 40 EDAB CN1C[C@H]2CN(Cc3ccc4c(c3)OCCO4)CC[C@@H]2OCC1=O 2037984382 ZBOQFNADDVUMAQ-GJZGRUSLSA-N 332.400 1.137 0 40 EDAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)c3csnn3)CC2)C1 1614948019 QEZAASZFVGKTOG-LLVKDONJSA-N 338.433 1.074 0 40 EDAB Cc1cccc(N2CCN(c3ncnc4c3n(C)c(=O)n4C)CC2)c1 2087030046 VAHZKXXIGUFCGH-UHFFFAOYSA-N 338.415 1.302 0 40 EDAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc(C)c1 9827334 RAPYIWVXEYBALT-UHFFFAOYSA-N 348.428 1.161 0 40 EDAB CCc1ccc(S(=O)(=O)C2=CN(C)S(=O)(=O)N=C2C)cc1 1775979136 ZMZQZFGGFFNRCH-UHFFFAOYSA-N 328.415 1.515 0 40 EDAB CCS(=O)(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1 1775976030 TYOMARDEZCHLPZ-UHFFFAOYSA-N 332.429 1.614 0 40 EDAB Cn1cc([C@@H]2CN(C(=O)Cn3ncccc3=O)Cc3ccccc32)cn1 585406279 BUHYWFINNVFGCS-KRWDZBQOSA-N 349.394 1.151 0 40 EDAB CN(C)C(=O)N1CCC(CNS(=O)(=O)c2ccccc2F)CC1 390831317 RFFSUEWSISYTRI-UHFFFAOYSA-N 343.424 1.498 0 40 EDAB Cc1c(C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cnn1C 103505618 FGRPOPUDVUSKGM-JSGCOSHPSA-N 328.303 1.160 0 40 EDAB CC(C)OCCCNC(=O)C1CCN(c2ccc3nncn3n2)CC1 30598916 KVXDJUKLFQKHJN-UHFFFAOYSA-N 346.435 1.272 0 40 EDAB COc1ccc(N2C(=O)c3sc4nccc(=O)n4c3C2=O)cc1 55932 AIFPHSVGJXALCO-UHFFFAOYSA-N 327.321 1.565 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1csc(C(C)(C)C)n1 30921756 UJVGQXWZTRWTPC-NSHDSACASA-N 325.434 1.304 0 40 EDAB C[C@H](Nc1cccc(I)c1)C(=O)NC(N)=O 20308896 GVNXCUFMFMGFBN-LURJTMIESA-N 333.129 1.287 0 40 EDAB CC(=O)N1CCCN(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 40520668 QXXLQWSUNNUXMI-CQSZACIVSA-N 333.388 1.090 0 40 EDAB NC(=O)C1(CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 52745212 HLWMFANYKANNCX-GHMZBOCLSA-N 336.354 1.753 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCCc2ccccc21 21883855 ZHFSPVCPZVFFEJ-UHFFFAOYSA-N 335.385 1.728 0 40 EDAB Cc1ccccc1OCCCN(C)Cc1nc2c(cnn2C)c(=O)[nH]1 52833768 IMLDTSCCQMXDNY-UHFFFAOYSA-N 341.415 1.866 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)C1 53894007 UDHHCOQGHCWJQR-VIFPVBQESA-N 336.189 1.878 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104121622 XVXKKBRSEUKFJE-NMUGVGKYSA-N 336.465 1.458 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)c2ccccn2)c1 47620146 VRZYFDKOJFSZEZ-UHFFFAOYSA-N 340.426 1.306 0 40 EDAB C[C@@H]1CN(CCNC(=O)N[C@@H]2CCOc3ccccc32)C[C@@H](C)O1 47866630 MJZNUOOTFBCIDH-IIAWOOMASA-N 333.432 1.919 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@@H]1N(C)C 78895697 HYOYJRPRYASBCB-ZFWWWQNUSA-N 329.400 1.512 0 40 EDAB Cc1cc(C)n(CCN2CCC[C@@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)n1 78899292 QTVYBJAYKXJGDH-RHSMWYFYSA-N 333.436 1.152 0 40 EDAB COc1ccc(OCCN2CCN(C(=O)c3cnn(C)c3)CC2)cc1 23641395 PJHDLKBHNPBMOD-UHFFFAOYSA-N 344.415 1.266 0 40 EDAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O 3010528 AFBWSRMGNGDPQF-SRVKXCTJSA-N 327.425 1.402 0 40 EDAB COC(=O)c1ccoc1COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 24103764 AGWDENYUOYOZFQ-UHFFFAOYSA-N 343.291 1.649 0 40 EDAB Cn1cc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c2ccccc21 24679082 DFINHJFFGQJJGI-ZDUSSCGKSA-N 349.456 1.722 0 40 EDAB C[C@@H](c1ccccc1)N(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 24686348 HHMFRXUGDZLHBU-NSHDSACASA-N 342.399 1.329 0 40 EDAB CC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 4787522 FYUIRLBRDLCDEY-KRWDZBQOSA-N 347.371 1.097 0 40 EDAB O=C1C[C@@H](c2ccccc2)n2nc(NC(=O)c3ccncc3)nc2N1 1274167 VHZMCINLNIWWCQ-ZDUSSCGKSA-N 334.339 1.857 0 40 EDAB CC1(C)S[C@H]2[C@H](NC(=O)c3ccccc3F)C(=O)N2[C@@H]1C(=O)O 6393390 KMEXQIYEMOCEMV-BREBYQMCSA-N 338.360 1.071 0 40 EDAB NC(=O)C[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)C(=O)O 1292869 WFZQUTAQITZVCO-MRVPVSSYSA-N 328.250 1.389 0 40 EDAB O=C(CNC(=O)c1ccccc1F)Nc1cccc(-n2cnnc2)c1 24703854 MTSKIHNGCJUKHA-UHFFFAOYSA-N 339.330 1.775 0 40 EDAB NC(=O)COc1ccccc1C(=O)Nc1ccc2c(c1)OCCCO2 24860199 CHUSUFJWKYIATM-UHFFFAOYSA-N 342.351 1.964 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccccc1 24990083 NNTVZDAVCJEUCF-QGZVFWFLSA-N 344.436 1.689 0 40 EDAB CCCn1nc(C(=O)N2CCN(Cc3cscn3)CC2)ccc1=O 55434928 DPVIYXMSDPBSHP-UHFFFAOYSA-N 347.444 1.068 0 40 EDAB Cc1c([C@@H](C)NC(=O)Cc2csc(N3CCCC3=O)n2)cnn1C 25000276 TYKIBVGNQRZIMA-SNVBAGLBSA-N 347.444 1.732 0 40 EDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N(C)Cc2cc(C)on2)cc1 25137825 NHPWITZXIPJHLT-RMKNXTFCSA-N 349.412 1.563 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(C(C)=O)CC2)c1C 34858319 UGPWKQZTYJVQTO-LBPRGKRZSA-N 335.404 1.153 0 40 EDAB CCOC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 34890262 BIRAHLNFEGFHNI-UHFFFAOYSA-N 349.387 1.170 0 40 EDAB COc1ccccc1C(=O)N1CCN(c2cc(Cl)nc(N)n2)CC1 25573994 DLXWCJYIUPFGJC-UHFFFAOYSA-N 347.806 1.683 0 40 EDAB CCCCOc1ccc(C(=O)NCC(=O)NC[C@@H](O)C2CC2)cc1 84746702 APFYGOKXHOLVFV-MRXNPFEDSA-N 334.416 1.482 0 40 EDAB O=C1CNC(=O)N1Cc1ccc(-c2nc3sccc3c(=O)[nH]2)cc1 48253962 YPPIJYDSQRFIQN-UHFFFAOYSA-N 340.364 1.703 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@@H]2C(=O)NCc2ccco2)no1 27141705 HPUVTIRGHHXJKK-CYBMUJFWSA-N 332.360 1.295 0 40 EDAB O=S(=O)(Cc1noc2c1CCCC2)c1nnc2n1CCCCC2 108933595 GHXJQZXQDQYFDO-UHFFFAOYSA-N 336.417 1.845 0 40 EDAB O=C(O)CCCCCNS(=O)(=O)Cc1noc2ccccc12 22067512 NBHIYPDMMAHZJT-UHFFFAOYSA-N 326.374 1.892 0 40 EDAB in-vitro CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 101486791 HOHXUPJXAPUKSF-JMSVASOKSA-N 336.413 1.886 0 40 EDAB CCOC(=O)CN(CC(=O)NC(=O)NC1CC1)Cc1ccccc1 58185759 MZHCKXLHLVUDNH-UHFFFAOYSA-N 333.388 1.040 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 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0 40 EDAB O=C1CN(C(=O)COC(=O)c2cccc(F)c2)c2ccccc2N1 2632762 NFXBPUIVPBXEJL-UHFFFAOYSA-N 328.299 1.968 0 40 EDAB CCn1cnnc1CNC(=O)CCc1nnc(-c2ccsc2)o1 47020741 FVIFMGLCJFFGGD-UHFFFAOYSA-N 332.389 1.659 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 47101287 HQVATAGJQYWHFO-HUUCEWRRSA-N 333.436 1.513 0 40 EDAB O=S(=O)(c1ccc(CNc2ncccn2)cc1)N1CCOCC1 12935680 JTZYFEJHYQABHK-UHFFFAOYSA-N 334.401 1.110 0 40 EDAB CCOc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)c(C(N)=O)c1 75143371 ZCOMDCZGGDGISN-SNVBAGLBSA-N 345.355 1.534 0 40 EDAB O=C(CCn1cccn1)N[C@H](CN1CCCC1=O)c1ccccc1 48957101 CSLPRORSARNHDI-MRXNPFEDSA-N 326.400 1.753 0 40 EDAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1 13262264 FEVFXYWCUOLXHL-UHFFFAOYSA-N 348.380 1.854 0 40 EDAB Cc1cc(C)n2nc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3)nc2n1 5021353 JAVVTEVNJKTNCV-LBPRGKRZSA-N 339.355 1.925 0 40 EDAB CC(C)NC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc(Cl)cc1 14068011 DMADHBKYEHNVGV-GFCCVEGCSA-N 325.796 1.229 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(Cn2ccc(-c3cccs3)n2)C1 65562337 NMSPSMLZPVTRRC-GFCCVEGCSA-N 340.474 1.583 0 40 EDAB COc1ccccc1OCC(=O)N(CCN(C)C)C[C@@H]1CCCO1 65608958 XZGSSAFQLJCRGR-HNNXBMFYSA-N 336.432 1.643 0 40 EDAB COc1ccc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(OC)c1 6663070 RINQVHYHBHYUGC-UHFFFAOYSA-N 341.323 1.486 0 40 EDAB C[C@H](OC(=O)c1ccccc1O)C(=O)Nc1ccc(C(N)=O)cc1 5784846 ZQZYVPVTMUKDAF-JTQLQIEISA-N 328.324 1.675 0 40 EDAB COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3[nH]cnc32)cc(OC)c1OC 5728264 DCGSQVPEJVYNBL-MFKMUULPSA-N 333.344 1.124 0 40 EDAB COc1cc(=O)[nH]c(SCC(=O)N[C@@H](C(C)=O)c2ccccc2)n1 4999560 ZZNIISMOWCOUIF-HNNXBMFYSA-N 347.396 1.317 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H](c1ccc(F)cc1F)C1CCCC1 83615360 OVTFOQYRSTXNTM-HNNXBMFYSA-N 346.399 1.862 0 40 EDAB O=C(N[C@H]1COc2ccccc21)N1CCN(Cc2ccon2)CC1 96439605 MFASLDLJJHADDF-HNNXBMFYSA-N 328.372 1.636 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccoc2)cc1 16224674 RTKWVNFQGIBEBS-NSHDSACASA-N 338.385 1.845 0 40 EDAB O=C(NCC(F)(F)F)c1ccc(Oc2ccc3nnnn3n2)cc1 68905526 MUFNSXBRTUMYBY-UHFFFAOYSA-N 338.249 1.604 0 40 EDAB COC(=O)c1cc(CNC(=O)CCCn2cccn2)ccc1OC 68936939 MNFXHJSJAVLNBC-UHFFFAOYSA-N 331.372 1.775 0 40 EDAB C[C@H](O)CN1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 70039963 QRMNLNFGCGSMCW-LBPRGKRZSA-N 336.823 1.888 0 40 EDAB COc1cc(-c2nn3c(=O)c(C)nnc3s2)cc(OC)c1OC 8394019 ZCGNPPXZQSOLET-UHFFFAOYSA-N 334.357 1.547 0 40 EDAB O=C1[C@H](N2CCC[C@@H]2[C@H](O)C(F)(F)F)CCN1CC(F)(F)F 71897119 YYAPXSRIHJGESF-HLTSFMKQSA-N 334.260 1.537 0 40 EDAB O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@H](N2CCNC2=O)C1 71841742 YGIQJOXVXXRXJU-AWEZNQCLSA-N 345.399 1.364 0 40 EDAB Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCc2cncnc2C1 69485949 XJXNJEVSLDKPKB-UHFFFAOYSA-N 328.420 1.504 0 40 EDAB CCn1ccnc1CN1CCN(C[C@@H](O)COc2ccccc2)CC1 69510767 QLZMASYCMHUWJO-QGZVFWFLSA-N 344.459 1.461 0 40 EDAB C[C@@H](NS(=O)(=O)Cc1cc(-c2ccccc2)no1)C(=O)N(C)C 69659770 UDVGSZNBYXYFPH-LLVKDONJSA-N 337.401 1.238 0 40 EDAB COc1cccc(C(=O)N2CCN(C3(C(N)=O)CCCCC3)CC2)c1 69704929 WPOPMKDGDKWDON-UHFFFAOYSA-N 345.443 1.641 0 40 EDAB CCOCc1nc(CC(=O)Nc2ccc(N3CCOCC3)cc2)no1 69738936 VIFICOILHWUSPY-UHFFFAOYSA-N 346.387 1.624 0 40 EDAB CC(C)Cc1noc(C[S@@](=O)CC(=O)NCc2cccs2)n1 69816294 XTYVVMIAJHFYHF-JOCHJYFZSA-N 341.458 1.895 0 40 EDAB CCn1cc([C@@H]2OCC[C@H]2CN[C@H](C(N)=O)c2ccccc2)cn1 83843445 CIDXXMXEPLHFNC-BHYGNILZSA-N 328.416 1.797 0 40 EDAB CC(C)[C@@H]1CN(C)CCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 71915442 ONCQXIBLUIFRBF-NEPJUHHUSA-N 335.370 1.196 0 40 EDAB COc1ccc(CNC[C@H]2CN(C)CCO2)cc1Br 69929867 SWPKQNVUGXKMST-LBPRGKRZSA-N 329.238 1.878 0 40 EDAB C[C@H](O)CNC(=O)C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 70677646 QZGVJAHRCPTHIZ-VIFPVBQESA-N 346.305 1.361 0 40 EDAB CC[C@H](O)[C@H]1CCCCN1CCNS(=O)(=O)c1ccccc1 71907369 FCCQUVUISLGJMM-CVEARBPZSA-N 326.462 1.590 0 40 EDAB Cc1nsc(N2CCN(S(=O)(=O)N3CCCCCC3)CC2)n1 71924125 NDUGLWNZERMFQP-UHFFFAOYSA-N 345.494 1.089 0 40 EDAB CCn1c(CNc2ncc(S(N)(=O)=O)s2)nc2ccccc21 71904221 SEQRIWUGSGDWJL-UHFFFAOYSA-N 337.430 1.772 0 40 EDAB NS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 89768382 FGISDXPXHLAVKN-UWVGGRQHSA-N 337.228 1.502 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 21870378 ZTRFNYXNBCPDIX-GFCCVEGCSA-N 329.422 1.218 0 40 EDAB CCNC(=O)C1CN(C(=O)C[C@@](O)(c2ccccc2)C(F)(F)F)C1 97046607 XAFZGNZIUDBHQE-OAHLLOKOSA-N 344.333 1.421 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3cn4c(C)cccc4n3)CCO2)n1 72253508 IZYATYDJJMRBLA-QGZVFWFLSA-N 340.431 1.752 0 40 EDAB C[C@H](NCC1CCN(CCO)CC1)C(=O)N1CCc2ccccc2C1 72267438 BSEWKPIJCKQWID-INIZCTEOSA-N 345.487 1.254 0 40 EDAB COC(=O)CN(CC1CC1)C(=O)[C@@H]1CCCN(c2ccccn2)C1 72282656 MYXQBESEHBDNFO-OAHLLOKOSA-N 331.416 1.710 0 40 EDAB CNC(=O)c1cccc(CCNC(=O)c2cnc3[nH]nc(C)c3c2)c1 72293665 WJCOOEPBBRCERR-UHFFFAOYSA-N 337.383 1.598 0 40 EDAB C[C@](O)(CNc1nc(C2CC2)nc2c1CCC2)CN1CCOCC1 95980563 PIJDWJIFDMRYRI-SFHVURJKSA-N 332.448 1.338 0 40 EDAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)O)n2C)c(C)c1 72328101 XHIGZKJHOJCHNH-UHFFFAOYSA-N 334.401 1.790 0 40 EDAB C[C@H]1CN(C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)CCO1 72304233 MWPAFCAAWUWMAQ-SJORKVTESA-N 346.475 1.627 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NO[C@@H]1CCCCO1 97299747 LWDPZACWRZVANK-OAIDTJHVSA-N 328.434 1.819 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1Cc1nc(CC(F)(F)F)no1 72584331 KGJJXAKRYZXMJF-JTQLQIEISA-N 326.278 1.591 0 40 EDAB CC(C)[C@@H]1CCc2ccccc2N1C(=O)Cn1ccc(=O)n(C)c1=O 84456603 GCAMXDNHOWPDQQ-HNNXBMFYSA-N 341.411 1.551 0 40 EDAB O=C(NCCCN1CCCCC1)[C@@H](Cc1ccccc1)n1cnnn1 89830021 RXDQJFQSYTUFNO-QGZVFWFLSA-N 342.447 1.449 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)c2sccc2-n2cnnn2)C12CCC2 89985791 ZMXBRKKAUKEWIA-NWDGAFQWSA-N 333.417 1.801 0 40 EDAB CCCN1C[C@@H]2[C@H](C1)[C@@H](NC(=O)c1cccs1)CCS2(=O)=O 306123219 AHOCAHIUZXIUKU-MBNYWOFBSA-N 342.486 1.375 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2C(=O)N(C)C)c1C 25997707 ABHSVIXJNCMLJN-LBPRGKRZSA-N 335.404 1.501 0 40 EDAB CC(C)n1cc(Br)cc1C(=O)N1CCO[C@H](C(=O)O)C1 43702632 UXFQXYZMPCUWFH-NSHDSACASA-N 345.193 1.757 0 40 EDAB COCCc1noc(CC2CCN(c3ncnc4[nH]cnc34)CC2)n1 528119736 QQXUPEPNVFJEID-UHFFFAOYSA-N 343.391 1.384 0 40 EDAB O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)N1CCC[C@H]1CO 120999669 QYMLQNRREMDUPN-LBPRGKRZSA-N 330.306 1.713 0 40 EDAB Cc1cccc(C(=O)N[C@@H](C(=O)NCC(=O)NC(C)(C)C)C(C)C)c1 32748258 SZGHTKVCHBSNML-MRXNPFEDSA-N 347.459 1.780 0 40 EDAB Cc1cccc(Nc2cnc([C@H]3CCCN(CC(N)=O)C3)cn2)n1 72361855 XPCFLSBSTDZQPN-ZDUSSCGKSA-N 326.404 1.588 0 40 EDAB Cc1cc(C)nc([C@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)n1 72369756 QYSZONMBIDZELZ-ZDUSSCGKSA-N 335.433 1.314 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@]1(OCCO)CCSC1 1565519746 OGAMQEINLODLSM-AWEZNQCLSA-N 349.449 1.297 0 40 EDAB CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(Br)ccc1F 77764735 WXHFLDRTJGYGEP-SECBINFHSA-N 347.184 1.804 0 40 EDAB CC(=O)NCc1ccc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 43282536 XCSPEOJVAKPCFX-KRWDZBQOSA-N 342.399 1.951 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)c1ccsc1)Cc1cccnc1 560416023 REICZCASPDWSFW-LLVKDONJSA-N 326.399 1.365 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CCCN1c1nccs1)C2 72278988 VOWPJVGRRXIZAK-CHWSQXEVSA-N 331.445 1.748 0 40 EDAB CSc1cccc2sc(NC(=O)CN(C)S(C)(=O)=O)nc12 36704887 ODCUAPXJPFAPSB-UHFFFAOYSA-N 345.471 1.848 0 40 EDAB CCOc1ccccc1N1C[C@@H](C(=O)NC(C)(C)C(=O)OC)CC1=O 46217122 AWIWEISDBUNASG-LBPRGKRZSA-N 348.399 1.506 0 40 EDAB CCCn1nccc1NC(=O)C(=O)N1CC[C@H](Nc2ccccc2)C1 134816620 HETXKSSTZIMQMI-HNNXBMFYSA-N 341.415 1.945 0 40 EDAB CCOc1ccc([C@@H](C)NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 225791924 ANTCXSHKLKSCLR-BZRJDHSHSA-N 331.368 1.917 0 40 EDAB CS(=O)(=O)NCc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)o1 84754767 KEOOTWIKTONSPY-AWEZNQCLSA-N 348.424 1.959 0 40 EDAB C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1nc(-c2ccccc2)c[nH]1 63488695 GCYYUQJKGVLALH-LLVKDONJSA-N 325.372 1.862 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)c2ccc3n[nH]cc3c2)cc1 530597190 LSKRPDPURXKQKR-UHFFFAOYSA-N 338.367 1.618 0 40 EDAB CC(C)OC(=O)CC[C@H](C)NC(=O)N[C@H]1CCC(=O)NC12CCC2 225784439 DPULIWAADZRKNG-STQMWFEESA-N 339.436 1.607 0 40 EDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)s1 223571571 ZMOJCXDXULTEBR-AEJSXWLSSA-N 344.462 1.600 0 40 EDAB CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)COc1ccccc1 96041498 GKXKYWCGPXWMIN-YQVWRLOYSA-N 348.443 1.402 0 40 EDAB COc1cc(N2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)ncn1 96159412 MCJATCHZDVKRLW-GOSISDBHSA-N 339.399 1.509 0 40 EDAB Cc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1C 96420610 BFCMPLZOFSZPNZ-SFHVURJKSA-N 327.428 1.851 0 40 EDAB Cn1cc(N2CC[C@@]3(CCCN(Cc4ccncc4)C3)C2=O)cn1 96074091 IKZZXOWDAAZZAX-GOSISDBHSA-N 325.416 1.834 0 40 EDAB COCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)NCc1cccc(F)c1 96245818 IRZZTJFSLKXILT-GJZGRUSLSA-N 335.379 1.357 0 40 EDAB Cc1occc1C(=O)N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 96038543 IYJYYRBULKAGPC-UONOGXRCSA-N 328.372 1.356 0 40 EDAB O=C(c1cc2c([nH]c1=O)CCCC2)N1CCc2ccccc2[C@H]1CO 97097618 KZJKGNNCCLPJTJ-GOSISDBHSA-N 338.407 1.986 0 40 EDAB c1cncc(CN2CCOC[C@@]3(CC[C@H](Cn4cncn4)O3)C2)c1 96160497 ZINWGRGBKGEKEB-IAGOWNOFSA-N 329.404 1.123 0 40 EDAB CSC[C@@H](C)C(=O)N1CCN(CCNC(=O)C2CCCC2)CC1 95394248 QKUKMMSFHXWMKM-CQSZACIVSA-N 341.521 1.436 0 40 EDAB Cc1nnc(NC(=O)c2ccccc2OCc2nnnn2C)s1 96101365 ZJPAZLIQHXXYCX-UHFFFAOYSA-N 331.361 1.201 0 40 EDAB CS(=O)(=O)NCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 96404794 GXQKXLHGFJMBSO-JKSUJKDBSA-N 332.425 1.609 0 40 EDAB COc1ccc(S(=O)(=O)NCc2cc(C3CC3)n(C)n2)cc1F 96099361 JSCMQPYIEGPJEW-UHFFFAOYSA-N 339.392 1.924 0 40 EDAB COc1ccccc1OCC(=O)N1CCC[C@]2(C[C@@H](OC)CO2)C1 96107209 SLHKLHZLTOSPGR-KDOFPFPSSA-N 335.400 1.871 0 40 EDAB Cn1ccc(C(=O)N2CCC3(CC2)C[C@H](Nc2cnccn2)CO3)n1 96224790 WSIOCONJJPPSTN-ZDUSSCGKSA-N 342.403 1.086 0 40 EDAB CN(C)c1ncnc2c1CN(C[C@@H](O)COCc1cccs1)CC2 97200421 JBPJHGRIMHHJEH-CYBMUJFWSA-N 348.472 1.540 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(Cc1cccc(F)c1)C2)N1CCOCC1 96205967 ZDGKRVPFDKVINU-APWZRJJASA-N 348.418 1.523 0 40 EDAB Cc1noc([C@@H]2CNC(=O)[C@@H]3CCN(Cc4nccs4)CC[C@H]23)n1 96100521 DUYUATFIXKFJEI-YNEHKIRRSA-N 347.444 1.576 0 40 EDAB CCO[C@@H]1C[C@H](Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)[C@H]1OC 585117700 SZLCUTYCLNVBDR-BSDSXHPESA-N 347.459 1.741 0 40 EDAB O=C(C[C@@H]1COc2ccccc2O1)N[C@H]1Cc2ccccc2NC1=O 529945717 SDCAMUBDXVNQAL-HIFRSBDPSA-N 338.363 1.896 0 40 EDAB C[C@@H]1CN(c2cccc(C3CCN(S(C)(=O)=O)CC3)n2)C(=O)O1 257253339 JYMXPNBRPGYJSS-LLVKDONJSA-N 339.417 1.566 0 40 EDAB Cc1ncc(CNC(=O)C(C)(C)n2cncn2)c([C@@H]2CCCN2C)n1 257306163 STEGPUIJNUBDQQ-AWEZNQCLSA-N 343.435 1.195 0 40 EDAB CCc1noc(CCC(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)n1 257288990 PWNTUOGNMLSYOD-QWHCGFSZSA-N 334.420 1.424 0 40 EDAB CN(C)C(=O)[C@@H]1CCN(Cc2cn(-c3ccccc3C(=O)O)cn2)C1 257229640 FYWXHRBALHUPMK-CYBMUJFWSA-N 342.399 1.481 0 40 EDAB CC(=O)NCC(=O)N1CCC(CCc2ccnc(NC(C)=O)c2)CC1 257219970 DJADUASKZMXIOB-UHFFFAOYSA-N 346.431 1.347 0 40 EDAB COc1cc(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)ccc1F 257220947 DMXJPGJDYVYLGJ-HZPDHXFCSA-N 345.374 1.204 0 40 EDAB Cc1cc(C(=O)N=c2sc3cc4c(cc3n2C)OCO4)nn1C 252427604 SQSNNGNCUOPQEV-UHFFFAOYSA-N 330.369 1.752 0 40 EDAB CN(c1ccncn1)C1CC2(CCN(C(=O)c3cccn3C)C2)C1 257256236 KKOVMVDNABLLRN-UHFFFAOYSA-N 325.416 1.946 0 40 EDAB Nc1nc2c(I)cc(C(F)(F)F)cn2n1 616568850 GZLZTWHHMUBKGK-UHFFFAOYSA-N 328.035 1.935 0 40 EDAB CC(C)c1ccc(NC(=O)NCc2cn(CCO)c(=O)nc2O)cc1 1615054911 CIKUCKVIJMVRIA-UHFFFAOYSA-N 346.387 1.386 0 40 EDAB C[C@](O)(C(=O)NCc1ccc(-n2ccnc2)cc1)C1CCOCC1 1615538245 MXKUZHCOXUVJHF-GOSISDBHSA-N 329.400 1.666 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@@H](C)c3ncccn3)CC2)nn1 1615556839 FQABJBQCNAKYCB-AWEZNQCLSA-N 326.404 1.417 0 40 EDAB CN1CC[C@@H](NS(=O)(=O)CCC(C)(C)C(F)(F)F)CC1=O 1615585415 FINLRHZTNUZQDT-SECBINFHSA-N 330.372 1.505 0 40 EDAB CC(=O)N1CCCN(c2nnnn2CC(C2CCC2)C2CCC2)CC1 1615616527 QVKCIJYXLKKPIS-UHFFFAOYSA-N 346.479 1.948 0 40 EDAB CCOc1ccc(CNS(=O)(=O)[C@@H]2CC[C@H](C(=O)OC)C2)cc1 1616041289 NWJJZPCVKCTLTP-DZGCQCFKSA-N 341.429 1.846 0 40 EDAB O=S1(=O)CC[C@@H](COc2ncccn2)C12CN(Cc1ccco1)C2 585102882 GHOVOPAYOVZUJJ-ZDUSSCGKSA-N 349.412 1.138 0 40 EDAB CSCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 585095847 PDZWDZWHMJKETP-ZDUSSCGKSA-N 348.428 1.429 0 40 EDAB Cc1ccc(CN2Cc3ccnn3CC[C@@H]2CNS(C)(=O)=O)o1 585098619 ZSAZSUXOVYCLJZ-CYBMUJFWSA-N 338.433 1.108 0 40 EDAB CC(C)CC(=O)N1CCn2cc(CC(=O)N3CCOCC3)nc2[C@@H]1C 585097954 PSINUTKRCWRXKS-AWEZNQCLSA-N 348.447 1.234 0 40 EDAB O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H](O)Cc1ccccc1 684466462 ZIPCUUSKNRMVLI-NUJGCVRESA-N 331.412 1.577 0 40 EDAB Cc1ccc(-c2ccc(=O)n([C@@H]3CCN(CC(=O)O)C3=O)n2)s1 1548451844 KNUIYTXZZAAILF-LLVKDONJSA-N 333.369 1.138 0 40 EDAB Cc1nc(CN2CCC[C@@H](NCc3nnc(C4CC4)n3C)C2)no1 71870624 ASOOFQWBVQXSSM-CYBMUJFWSA-N 331.424 1.138 0 40 EDAB CC(C)C(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1 15480551 DPWAMLXHZVGJQU-UHFFFAOYSA-N 340.221 1.785 0 40 EDAB CN1CC[C@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)CC1=O 44299219 JGTMNQUFBCDBNW-HNNXBMFYSA-N 349.862 1.853 0 40 EDAB COCc1ccccc1NC(=O)[C@H]1CCCCN1S(C)(=O)=O 44550089 IDRMHODWAWWAKJ-CQSZACIVSA-N 326.418 1.586 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1ccco1 44891216 VSIXXWVTVNIZDN-AWEZNQCLSA-N 344.419 1.204 0 40 EDAB Cc1nccc(CNC(=O)CCc2c(C)nc3cc(O)nn3c2C)n1 58355643 NMTDETZZTXWFAP-UHFFFAOYSA-N 340.387 1.399 0 40 EDAB NC(=O)Cc1ccc(OCC(=O)N2CCc3sccc3C2)cc1 58377474 OHCOLIRBJGBZBM-UHFFFAOYSA-N 330.409 1.740 0 40 EDAB COc1ccc(OC)c(CN(CCCS(N)(=O)=O)C2CC2)c1 58407287 DMHMKIHWFJZNRN-UHFFFAOYSA-N 328.434 1.347 0 40 EDAB CCCn1nc2c(cc1=O)CN(CCC(=O)NC1CCCC1)CC2 78931484 DXYOENGAXSVKRL-UHFFFAOYSA-N 332.448 1.460 0 40 EDAB COc1ccccc1-c1noc(CS(=O)(=O)C[C@@H]2CCCO2)n1 40498862 CWTBFRORTSJKJH-NSHDSACASA-N 338.385 1.839 0 40 EDAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C(N)=O)C2)c(OC)c1 42042137 SZALKCBUQJSZIH-NWDGAFQWSA-N 335.404 1.672 0 40 EDAB c1cncc(CN2CCN(c3nccc(N4CCOCC4)n3)CC2)c1 675719988 LGHQOEUILMFSJU-UHFFFAOYSA-N 340.431 1.030 0 40 EDAB Cc1ccc(F)cc1NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 5000127 OBZYGIVNJVYCLL-UHFFFAOYSA-N 341.342 1.786 0 40 EDAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)O)CC1)O2 12087120 TVEWRJZYGKEPDB-KZULUSFZSA-N 346.383 1.342 0 40 EDAB COCC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(OC)cc1)CN2C(C)=O 19019306 KDORNFVYUXLXEV-ZHALLVOQSA-N 346.427 1.647 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 159312787 GFMZMOXTRPLPEQ-HNNXBMFYSA-N 345.424 1.841 0 40 EDAB CCOC(=O)[C@H]1[C@@H](c2cccs2)NC(=O)N[C@]1(O)C(F)(F)F 4144509 PGEUKBIMRDIPOG-SOCHQFKDSA-N 338.307 1.532 0 40 EDAB CCCc1ccc(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 23743492 LIVAVLVSFCKWJR-AWEZNQCLSA-N 331.459 1.495 0 40 EDAB CC(C)(C)NC(=O)CN1CCN(C[C@H](O)c2cccs2)CC1 28909696 YMBJSVZQQLXOBG-ZDUSSCGKSA-N 325.478 1.314 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 585147442 ZBLSBFLKJQFQBJ-NSHDSACASA-N 335.339 1.041 0 40 EDAB Cn1cnc(C(=O)N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)c1 1888849912 LRMJJVYLSKXROG-GFCCVEGCSA-N 327.388 1.629 0 40 EDAB CC(C)N1C[C@@]2(CCN(C(=O)Cc3ccccc3F)C2)COCC1=O 2037985704 SRPWNEACIOSBMM-IBGZPJMESA-N 348.418 1.854 0 40 EDAB CC[C@H](C(=O)OC)n1cnc2c(cnn2-c2ccc(F)cc2)c1=O 5139424 VSOMEIPPCUDMJY-CYBMUJFWSA-N 330.319 1.845 0 40 EDAB CNC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 9708289 UDGWFWPZVMCFSB-CQSZACIVSA-N 329.425 1.714 0 40 EDAB Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)NC1CCCCC1 11927578 HILWJTNEIYDGPL-UHFFFAOYSA-N 334.420 1.113 0 40 EDAB Cc1cc(C)c2c(N)c(C(=O)N3CCC(C(N)=O)CC3)sc2n1 15084522 CQBVJIASVLYOMC-UHFFFAOYSA-N 332.429 1.833 0 40 EDAB O=C(CCNS(=O)(=O)c1ccccc1F)N1[C@H]2C=CC[C@H]1CC2 208017551 CVONWZUCCHYZHM-STQMWFEESA-N 338.404 1.814 0 40 EDAB Cc1nnc2ccc(N3CC(N(C)Cc4nnc(C5CC5)o4)C3)nn12 585607594 QYKXCCWLKDANOW-UHFFFAOYSA-N 340.391 1.014 0 40 EDAB COc1cccc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)n1 2298067717 ZCTOAOHETRTUDW-UHFFFAOYSA-N 339.403 1.471 0 40 EDAB COc1cccc2c1ccn2CCC(=O)N[C@H]1CCS(=O)(=O)C1 79480659 VFOPYQPBOOFSME-LBPRGKRZSA-N 336.413 1.343 0 40 EDAB O=C(NCCOc1ccc(F)cc1)c1cnc2n(c1=O)CCS2 30481138 IXLRMFRZFQFODD-UHFFFAOYSA-N 335.360 1.297 0 40 EDAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 100090891 RDCHQYFNINCDCX-UONOGXRCSA-N 337.335 1.220 0 40 EDAB CCCCNC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 50256474 QQMPSUDKNMEZAC-UHFFFAOYSA-N 342.465 1.046 0 40 EDAB Cc1cc([C@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)no1 31159247 LQCMPYAAQYBXED-DYVFJYSZSA-N 346.387 1.367 0 40 EDAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 50599921 GWRIZLGMALAHPZ-ZIAGYGMSSA-N 349.383 1.583 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)CN1C(=O)COc2ccc(Cl)cc21 31399054 ZEDUQEFPRWHXAB-NSHDSACASA-N 348.790 1.467 0 40 EDAB CC(C)NC(=O)CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 40498738 BSPGPXLYPIISEA-UHFFFAOYSA-N 347.820 1.551 0 40 EDAB O=C(CCn1nnn(-c2ccccc2)c1=O)Nc1ccccc1F 31765522 RZCKDLUKXQOVAC-UHFFFAOYSA-N 327.319 1.597 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 41164607 NLNGZSHQQDSOAW-INIZCTEOSA-N 338.473 1.797 0 40 EDAB CC[C@H]1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CCO1 32829477 BDXIZOBYODQIHZ-AWEZNQCLSA-N 332.452 1.687 0 40 EDAB C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CCCC[C@@H]1C1OCCO1 102730545 WOMUGPGICMFCHN-UPQQWNPYSA-N 348.447 1.442 0 40 EDAB COCCCCNC(=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 41783801 WKYZIYDMFHHUQZ-UHFFFAOYSA-N 330.287 1.489 0 40 EDAB CCn1c(S)nnc1CNC(=O)/C=C/c1ccc2c(c1)CCO2 103984460 PNLJWPKIUPXERV-GQCTYLIASA-N 330.413 1.851 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C[C@H](O)c3ccccc3)CC2)no1 22842817 IKCBULKAFKEMLP-INIZCTEOSA-N 344.415 1.273 0 40 EDAB CC(C)n1ncc2cc(C(=O)NCCN3C(=O)CSC3=O)cnc21 47422321 QTPMBUWBLACUQL-UHFFFAOYSA-N 347.400 1.437 0 40 EDAB CN1CCC(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 47615614 PBOZZVPKRSRUST-INIZCTEOSA-N 331.416 1.628 0 40 EDAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCCCN(C)C 47652665 UASMBKDIZOXRPL-GFCCVEGCSA-N 327.450 1.199 0 40 EDAB Cc1cnc(NC[C@H]2CC(=O)N(C3CC3)C2)nc1-c1cnn(C)c1 23369435 IRCJEKRSHNCHGN-GFCCVEGCSA-N 326.404 1.608 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)n[nH]1 78900683 MDDYJJZNEFRFDK-GFCCVEGCSA-N 332.379 1.906 0 40 EDAB NC(=O)COc1coc(CN2CCO[C@@H](c3ccccc3)C2)cc1=O 79498887 MJDKUAONUFMSNK-MRXNPFEDSA-N 344.367 1.077 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc3[nH]nnc3c1)C2=O 12530714 FSRQOILFSMNYPU-UHFFFAOYSA-N 342.359 1.103 0 40 EDAB O=C(Cc1ccc2c(c1)CCO2)N1CCN(Cc2cccnc2)CC1 54724794 FPZXHTAOGLSNDW-UHFFFAOYSA-N 337.423 1.903 0 40 EDAB CCc1ccccc1Nc1nc(N)nc(CN2CCO[C@@H](C)C2)n1 24014490 QMYBJDVFWGOQML-LBPRGKRZSA-N 328.420 1.981 0 40 EDAB O=C(NCCn1cnc2ccccc2c1=O)c1ccc2c(c1)OCO2 62001390 KMXXOVOHSTYNKJ-UHFFFAOYSA-N 337.335 1.555 0 40 EDAB biogenic Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 24598492 CRWPOBJDZINXBJ-CQSZACIVSA-N 343.427 1.711 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1[nH]nc(C)c1Br)C2 72279181 ZLQKRCBYXUDMMA-VIFPVBQESA-N 338.209 1.730 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2cc3c(s2)CCCCC3)CC1 43121672 GFXHPYFRLKNVTH-UHFFFAOYSA-N 335.473 1.697 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nnnn1-c1ccc(C)cc1C 7714172 LEGRJKAOQSDGNQ-JTQLQIEISA-N 334.405 1.215 0 40 EDAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc[nH]c1=O 24924942 UFGGRHUFXUOPIT-UHFFFAOYSA-N 333.369 1.167 0 40 EDAB CC(C)(C)c1ccc(OCCNC(=O)Cn2ccc(=O)[nH]c2=O)cc1 8368940 HVAQAANCSKDRNY-UHFFFAOYSA-N 345.399 1.029 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1 107059135 IDSHONSBUNZHOD-HSOHIQCKSA-N 347.419 1.660 0 40 EDAB CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)CC)CCN1C(=O)[C@H](C)CC 107353629 CVDMQUKKXCLWLR-MCIONIFRSA-N 326.437 1.681 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 72270863 MDLCYLSQHDDXRY-JKSUJKDBSA-N 339.395 1.692 0 40 EDAB O=C(Cc1ccon1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107520354 GMCOCXXFFJYXRK-SJORKVTESA-N 327.384 1.329 0 40 EDAB COc1cccc([C@@H](CNC(=O)[C@@H](NC(C)=O)C(C)C)N(C)C)c1 57288647 GNSVMNBGCNJUBV-SJORKVTESA-N 335.448 1.575 0 40 EDAB CCCn1nc(C(=O)NCc2cnn(-c3ccccc3)c2)ccc1=O 48272455 CUQRWNNDIURLEG-UHFFFAOYSA-N 337.383 1.769 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(Cl)o2)cc1 25842064 HBUALADMXZISBP-UHFFFAOYSA-N 342.804 1.912 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1 26840711 IBJGOBDFAOSVEV-IHRRRGAJSA-N 342.461 1.471 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C[C@H]2C(=O)O)cc1F 107779217 CKRKNHIBJXMXKS-RISCZKNCSA-N 344.408 1.302 0 40 EDAB Cc1ccc(S(=O)(=O)C2(C(=O)OCCO)CCCC2)cc1C 95349054 DYIHRIWDDMDGBQ-UHFFFAOYSA-N 326.414 1.925 0 40 EDAB Cc1nnc2n1C[C@@H](CN[C@@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 72252939 SVAVCZNGISFIMS-CMPLNLGQSA-N 348.838 1.814 0 40 EDAB CCCCNC(=O)Cn1c(=O)n(CCCOC)c(=O)c2ccccc21 44840916 NFGCMIVWYORBBZ-UHFFFAOYSA-N 347.415 1.116 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NCc1ccc(N2CCCC2)nc1 44954250 UVBOFGFWLRNOCN-CQSZACIVSA-N 328.420 1.766 0 40 EDAB CC(C)(C)c1cnc(CN2CCCC[C@H]2CNS(C)(=O)=O)o1 44914161 FWFUEHHANWIFCO-LBPRGKRZSA-N 329.466 1.876 0 40 EDAB C[C@H]1CN(CCNC(=O)Nc2ccc(-n3cccn3)nc2)C[C@@H](C)O1 44951925 BPHCOOMVWBBFDN-OKILXGFUSA-N 344.419 1.498 0 40 EDAB C[C@]12CC(=O)CC(CO)(CO)[C@H]1[C@H](O)C[C@]13C[C@@H]4[C@@H](C[C@@H]12)[C@@]4(C)C3 100059610 WTOYNGQRGOLPNU-BKEIFJJJSA-N 334.456 1.760 0 40 EDAB biogenic,in-vitro O=C(Nc1nc[nH]n1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 44977199 UGAHSESTJAMALR-LBPRGKRZSA-N 331.351 1.364 0 40 EDAB C[C@@H]1C[C@@H](CC(=O)NCC2(O)CCS(=O)(=O)CC2)CC(C)(C)C1 72297778 BBCYBKXOJJRYPX-KGLIPLIRSA-N 345.505 1.895 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)c1cc(C)nc2ccccc12 3366777 HQLLCRZGHPOPKK-UHFFFAOYSA-N 329.356 1.936 0 40 EDAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(S(N)(=O)=O)o1 58301921 APMAPPCOIPHMTA-VIFPVBQESA-N 342.804 1.941 0 40 EDAB CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 48302373 SNAINTVZBZSPRS-SNVBAGLBSA-N 332.809 1.157 0 40 EDAB CCCS(=O)(=O)N1CCC[C@]2(C[C@@H](Oc3ncccn3)CO2)C1 107228291 ZBBJOWYLWRNOGL-HIFRSBDPSA-N 341.433 1.219 0 40 EDAB Cc1nc2ccccc2n(CCCNC(=O)NCC(F)(F)F)c1=O 97114249 WWQWMEDKQMYMAQ-UHFFFAOYSA-N 342.321 1.957 0 40 EDAB CCN1CCN(C[C@H](C)CNC(=O)NC2Cc3ccccc3C2)CC1 97140282 LZXGEQNSJCDRNS-MRXNPFEDSA-N 344.503 1.727 0 40 EDAB O=S(=O)(CCN1CCCC[C@H]1Cn1ccnn1)c1ccccc1 95459734 ATULDTUCLTYVKX-HNNXBMFYSA-N 334.445 1.607 0 40 EDAB C=Cn1nnc(NC(=O)c2ccc(I)cc2)n1 10119546 JVVIGJQXMPZUOP-UHFFFAOYSA-N 341.112 1.631 0 40 EDAB CN(CC(=O)Nc1nccs1)S(=O)(=O)c1ccc(F)cc1 3549637 LDMNTGYSWJICJY-UHFFFAOYSA-N 329.378 1.541 0 40 EDAB C[C@H](NC(=O)N[C@H](C)c1nncn1C)c1ccc2c(c1)CC(=O)N2 46961943 NSAFOLZYASCHOW-VHSXEESVSA-N 328.376 1.431 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(F)c1 12917648 SLJOFXUUUFILPK-OAHLLOKOSA-N 334.372 1.427 0 40 EDAB Cc1ccc(C(=O)OCC(=O)NC(=O)Cc2ccccc2)c(O)c1 9021835 XMYZIGKFPOIXPV-UHFFFAOYSA-N 327.336 1.743 0 40 EDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc2ncccc2c1 72300527 BBNVVCUYHWYDHB-BBRMVZONSA-N 333.457 1.994 0 40 EDAB CN1C(=O)N(C)[C@@]2(c3ccccc3)NNC(N)=N[C@@]12c1ccccc1 13688016 QJKCPCXPWISPEK-ZWKOTPCHSA-N 336.399 1.112 0 40 EDAB Cn1cnnc1CN1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F 97238109 TXYPKDRTOBHTDE-CYBMUJFWSA-N 339.321 1.507 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2cc(C)nn2C)c1 65408914 QKGDCMXFHVAAPY-CYBMUJFWSA-N 334.376 1.601 0 40 EDAB COc1ccc(NC(=O)NC[C@H]([C@@H]2CCOC2)N2CCCC2)cn1 65452464 POTOEJOQAFIAJR-UKRRQHHQSA-N 334.420 1.713 0 40 EDAB CCOC(=O)c1ccc(NC(=O)N2CCN(CC(C)(C)O)CC2)cc1 65490257 IWLLAPBSCSSLSO-UHFFFAOYSA-N 349.431 1.784 0 40 EDAB Cc1ccc(OCCCNC(=O)Cc2nc3ncccn3n2)cc1 65614653 PXWWVVBWZCCLNC-UHFFFAOYSA-N 325.372 1.561 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)cc2F)NC(=O)N1 5517839 BMPGZBHMVWXVBV-AWEZNQCLSA-N 337.326 1.452 0 40 EDAB COc1ccc(OCCNC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 66175947 GLXQIOMZNBRNLF-OAHLLOKOSA-N 333.432 1.954 0 40 EDAB NC(=O)c1ccc(CS(=O)(=O)c2nccn2-c2ccccc2)cc1 84576739 YBXYZAVRBHXGSK-UHFFFAOYSA-N 341.392 1.945 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCC(c2ccnn2CCO)CC1 96492422 YBAZLTYLGLLAPH-UHFFFAOYSA-N 339.399 1.772 0 40 EDAB CCO[C@@H](C)C(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1 71858630 DEAZSTHIOYRBBQ-LBPRGKRZSA-N 342.417 1.071 0 40 EDAB O=C1CN(C(=O)CN2CCC(c3cc4ccccc4[nH]3)CC2)CCN1 71841192 BNANEKQRHHIVDW-UHFFFAOYSA-N 340.427 1.306 0 40 EDAB CN(C[C@H]1CN(Cc2nnc(C3CC3)o2)CCO1)c1cccnn1 83859342 IIPNZDJZJAKKGK-ZDUSSCGKSA-N 330.392 1.074 0 40 EDAB Cc1cnc(C(=O)OCC(=O)c2ccc3c(c2)OCCCO3)cn1 8066990 IMGBJXYCNOVNKA-UHFFFAOYSA-N 328.324 1.986 0 40 EDAB NC(=O)[C@@H]1CCCN(c2cnn(-c3ccccc3)c(=O)c2Cl)C1 8063866 NCGFOVHVYPIFRM-LLVKDONJSA-N 332.791 1.588 0 40 EDAB COC(=O)CCCc1nnc(NC(=O)NCCc2ccccn2)s1 71916312 XPNLEIRCKAYDFL-UHFFFAOYSA-N 349.416 1.793 0 40 EDAB CCc1ccc(S(=O)(=O)N(C)CCCN2CCN(C)CC2)s1 71914086 OCFDRWYYHUNRPO-UHFFFAOYSA-N 345.534 1.569 0 40 EDAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3cc(C)on3)CC2=O)c1 8268644 UJROMBWJUWEWGQ-LLVKDONJSA-N 345.355 1.992 0 40 EDAB O=C(c1ccc(NC2CC2)nc1)N1CCCC[C@@H]1CN1CCOCC1 70004113 YBIXFJTYJODHLW-QGZVFWFLSA-N 344.459 1.983 0 40 EDAB Cc1noc([C@H](C)N2CCN([C@H](C(N)=O)c3ccc(F)cc3)CC2)n1 69386963 PNSMMFOWELEVKK-NHYWBVRUSA-N 347.394 1.422 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)N2CCC(CC(N)=O)CC2)n1 69371555 MYJMAYYXYJZQDZ-GFCCVEGCSA-N 335.452 1.433 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@H]1c1ccccc1Cl 69352208 VDSUYZAAETXOEA-GXTWGEPZSA-N 342.848 1.043 0 40 EDAB Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCn2cccc2[C@@H]1C 69349225 SPIUHUYBKTVCAH-JTQLQIEISA-N 339.442 1.722 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H](Cc2ccc3c(c2)OCO3)NC(C)=O)CCO1 69435478 WOUHRTVUXZESIK-HUUCEWRRSA-N 348.399 1.100 0 40 EDAB O=C(CN1CCN(C(=O)CC2CCCCC2)CC1)NCC(F)(F)F 69530753 AYWNZUBRBIJWGD-UHFFFAOYSA-N 349.397 1.780 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2CCCC[C@@H]2Cn2cncn2)c1 69571035 NXBOGPQCSJLCPB-SJORKVTESA-N 330.432 1.881 0 40 EDAB Cc1[nH]c(=O)ccc1C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 91758374 AOFXTVQKLTXWCN-ABAIWWIYSA-N 334.322 1.910 0 40 EDAB COc1cc(C)nc(N2CCN(C[C@H](O)c3ccccc3F)CC2)n1 69625459 XTWPVSMUOXEHLT-INIZCTEOSA-N 346.406 1.788 0 40 EDAB COc1ccccc1C1(CNC(=O)N2CCC(C(N)=O)CC2)CC1 69654864 VUZCSYQJRKMYNB-UHFFFAOYSA-N 331.416 1.634 0 40 EDAB O=C1[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 408917980 DRLMDZNDXXAERA-FJJYHAOUSA-N 340.162 1.799 0 40 EDAB CN(C)CCNC(=O)C(=O)Nc1ccc(F)cc1Br 69703513 GCNRTCSCMNLYQC-UHFFFAOYSA-N 332.173 1.205 0 40 EDAB NC(=O)[C@@H]1c2ccccc2CCN1Cc1nc2ccccc2c(=O)[nH]1 69705155 VMNABWXTIWIFOG-KRWDZBQOSA-N 334.379 1.508 0 40 EDAB Cc1nc([C@@H](NC(=O)CN2CCCCCC2=O)c2ccccc2)n[nH]1 69772735 LLRBZDJHFSJIAK-KRWDZBQOSA-N 341.415 1.721 0 40 EDAB CC(C)n1ccnc1CN1CCCN(C(=O)CN(C)C2CC2)CC1 69817447 MVYUBWBRAJBPGA-UHFFFAOYSA-N 333.480 1.593 0 40 EDAB CC(C)Oc1cccc(CN2CCC[C@H](CNS(N)(=O)=O)C2)c1 69872452 WWIRTJKQGYQDBJ-OAHLLOKOSA-N 341.477 1.479 0 40 EDAB CN(CC(=O)N1CCC1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 69815405 HKSVHHYJHIZTAB-LJQANCHMSA-N 345.487 1.596 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@H]1C[C@@H]1c1ccc(OC)cc1)C2 69922935 YEZYWPJRGZMHHI-CABCVRRESA-N 326.400 1.995 0 40 EDAB COCCn1nc(C)c(CNC(=O)[C@@H](C(C)C)N2CCCC2)c1C 69926913 JEPQGJLOALQPOZ-QGZVFWFLSA-N 336.480 1.883 0 40 EDAB COCCN1CCN(CC(=O)N(C)[C@H](C)c2cccs2)CC1 69969919 JZXOAQOZPQOKER-CQSZACIVSA-N 325.478 1.532 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N(CCO)c2ccc(F)cc2F)c1 92278208 BPEASYLYMSOZNX-UHFFFAOYSA-N 345.371 1.930 0 40 EDAB CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 8704334 KPNXMYNXGRKJRB-UHFFFAOYSA-N 337.445 1.211 0 40 EDAB CCNC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1C 8774574 NVOXWWONWBNDFB-GFCCVEGCSA-N 334.401 1.556 0 40 EDAB CS[C@H]1CCCC[C@@H]1NCc1cnc(N2CCN(C)CC2)nc1 97015948 SHYILRSBJUALSQ-HOTGVXAUSA-N 335.521 1.992 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc2nncn2c1 97048823 SJEBORHATSVVNT-UHFFFAOYSA-N 334.405 1.388 0 40 EDAB CCc1nncn1CCNC(=O)N1CCC[C@@H](Cc2nccn2C)C1 95424860 VPPOZUPCBKRIJW-AWEZNQCLSA-N 345.451 1.238 0 40 EDAB CNC(=O)c1ccc(CNC(=O)C2(Br)CCC2)cc1 75108449 WAAXVPUZCHGOKC-UHFFFAOYSA-N 325.206 1.980 0 40 EDAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCO[C@H]([C@H]2CCCO2)C1 89797945 FGFUWYLANMVLQL-CVEARBPZSA-N 344.367 1.655 0 40 EDAB CCNS(=O)(=O)c1cccc(C(=O)N(CC)C[C@@H](C)C(=O)O)c1 89977546 AZGJWCBYHUHFIH-LLVKDONJSA-N 342.417 1.168 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NCc2cccnc2-n2cccn2)C1 89954656 UFZCAMTUXZKRRU-OAHLLOKOSA-N 342.403 1.077 0 40 EDAB COc1ccc([C@H](CNC(=O)N[C@@H](C)Cn2ccnc2)N(C)C)cc1 89904425 PARARYBIACJMDT-YOEHRIQHSA-N 345.447 1.882 0 40 EDAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)c3ccncc3F)CCO2)n1 76046423 HPLZFFPGMZHAJL-GFCCVEGCSA-N 333.367 1.850 0 40 EDAB CCc1noc(CCCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 76051911 GGGGTKKCZYZFID-KGLIPLIRSA-N 336.436 1.134 0 40 EDAB COCCN(Cc1ccco1)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 25094239 YMZKXDBNAHAMRF-HUUCEWRRSA-N 346.383 1.206 0 40 EDAB Cn1nnnc1N1CCO[C@H](c2ccc(F)c(Br)c2)C1 547469643 ORQKTVLEIFWHMZ-NSHDSACASA-N 342.172 1.690 0 40 EDAB CN1CC[C@H](COCC2CC2)CC12CN(c1ccc3nncn3n1)C2 306127028 FLWZUDHDNSWFEY-HNNXBMFYSA-N 342.447 1.452 0 40 EDAB Nn1c(SCC(=O)Nc2ncccn2)nnc1-c1ccccc1 409170475 VYTDNTLIKVGKJP-UHFFFAOYSA-N 327.373 1.180 0 40 EDAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)C 217506680 LXEHSUNVRVHVRR-UHFFFAOYSA-N 344.433 1.910 0 40 EDAB Cc1cc(CN2Cc3ncn(C)c3[C@@H](C(=O)NC(C)C)C2)n(C)n1 306138883 SJYVOZSVNWVICJ-AWEZNQCLSA-N 330.436 1.086 0 40 EDAB CCc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@](COC(C)=O)(O3)[C@@H]2C1=O 409307110 RDPFSESCAHRXRE-DRMAHVMPSA-N 341.363 1.625 0 40 EDAB Cn1ccnc1CN1CCC(C)(c2[nH]ncc2S(C)(=O)=O)CC1 72388882 FGVZQYYCHSQJPZ-UHFFFAOYSA-N 337.449 1.100 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC 218579902 PACMMUHJVBRHGH-VNHYZAJKSA-N 329.393 1.234 0 40 EDAB O=C(NCc1cccc(-n2ccnc2)c1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 566051684 RLMSQVSWVRAKIV-BRSBDYLESA-N 336.395 1.967 0 40 EDAB CCN1C(=O)C(=O)N(Cc2ccc(C(=O)N3CCCC3)cc2)C1=O 44865804 HKYPJJXLICEYOL-UHFFFAOYSA-N 329.356 1.233 0 40 EDAB CN(C)C(=O)COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 223308603 NNALLHHLCMNMNY-UHFFFAOYSA-N 348.424 1.979 0 40 EDAB Cc1ccc([C@@H](C)N[C@H]2CCCN(CCN3CCOCC3)C2=O)o1 195557269 MXTWLAGJFWIXBT-CVEARBPZSA-N 335.448 1.562 0 40 EDAB CC(C)(C)c1nnc2ccc(N3CCCN(C(=O)C4CC4)CC3)nn12 225488248 LQLLMHVLZDHTTH-UHFFFAOYSA-N 342.447 1.871 0 40 EDAB CC(C)OC(=O)CC[C@@H](C)NC(=O)N[C@@H]1CCC(=O)NC12CCC2 225784369 DPULIWAADZRKNG-CHWSQXEVSA-N 339.436 1.607 0 40 EDAB Cc1noc([C@@H]2CCN(Cc3nc4ccccc4c(=O)n3C)C2)n1 572309172 MWNCPNLWKAMGQE-GFCCVEGCSA-N 325.372 1.614 0 40 EDAB CC(C)[C@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225214077 DQIRONRDELIEFY-LBPRGKRZSA-N 345.440 1.599 0 40 EDAB O=C1O[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)Cc2ccccc21 44870018 VXAXWKIHTIUFGG-QGZVFWFLSA-N 339.347 1.856 0 40 EDAB CS[C@H]1CC[C@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C1 81466928 NJTIYJDUPXBTIP-HOTGVXAUSA-N 348.516 1.994 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)C1 195533085 OGHQKYBHKAMEFH-ZNMIVQPWSA-N 340.493 1.507 0 40 EDAB CC1(C)CN(C(=O)CS(=O)(=O)C2CC2)C[C@@](C)(C(F)(F)F)O1 574370951 BCVPDHGZJOPBGE-LBPRGKRZSA-N 343.367 1.522 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)(C)C)cc1C 226057199 NHFPXGGOYKEWJP-UHFFFAOYSA-N 342.461 1.786 0 40 EDAB CN1CCC[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 81277151 OBXHLEIMOWIGMH-QGZVFWFLSA-N 329.444 1.767 0 40 EDAB Cn1cc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCCC3)C2)cn1 97953637 RECMNCMSXACHOW-YESZJQIVSA-N 332.448 1.316 0 40 EDAB Cc1nnc(C[C@@H]2CO[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]23)o1 96215605 XDTDLFMMQMHPKU-BPLDGKMQSA-N 349.412 1.256 0 40 EDAB CC(C)NC(=O)c1ccc2nnc3ncn(CCN(C)C)c3c2c1 96264258 YLMYRROMFAFBPT-UHFFFAOYSA-N 326.404 1.679 0 40 EDAB CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)N1CCCC1)C2 96238074 UNFGEKWJFXXZDN-SFHVURJKSA-N 343.431 1.020 0 40 EDAB Cn1ccnc1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 96421351 DAJSRRROFUPZJF-SECBINFHSA-N 344.198 1.897 0 40 EDAB CN1CCN(Cc2cnc3n2CCN(Cc2nccs2)C3)CC1 96061796 NHQLUZGBXHQWHH-UHFFFAOYSA-N 332.477 1.103 0 40 EDAB CN(C)C(=O)CN1CCC2(CCN(C(=O)c3cccs3)CC2)C1=O 96046860 OMFGJDHSDXUECF-UHFFFAOYSA-N 349.456 1.291 0 40 EDAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)N2CCCC2)n1 96054049 ZOLSYJJFHIENOP-HOTGVXAUSA-N 328.416 1.781 0 40 EDAB CCC(CO)(CO)NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 97376855 NCRIOCZXVDEFTC-OLZOCXBDSA-N 342.233 1.802 0 40 EDAB CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 96487007 PRWMJBLJUFMYKX-DLBZAZTESA-N 330.428 1.886 0 40 EDAB Cc1noc([C@]23COC[C@H]2CN(Cc2ccc4c(c2)OCO4)C3)n1 96110036 YDRBSLBLGRWOCG-CXAGYDPISA-N 329.356 1.507 0 40 EDAB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)c1ccccn1 585087924 BQJQRAYHNSLSTD-GFCCVEGCSA-N 334.401 1.266 0 40 EDAB Nc1nc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)cc2ccnn12 257206554 BDZMROXYTLZJLR-CYBMUJFWSA-N 329.404 1.444 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cnn3ccccc23)C1 585130911 FYBFVTVGJJBIEX-LBPRGKRZSA-N 336.417 1.335 0 40 EDAB CC1=NO[C@@H](CNC(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 585137661 NYWOOZNCLYWGNG-MRXNPFEDSA-N 344.415 1.773 0 40 EDAB C[C@](O)(CNC(=O)COCc1nc(-c2ccccc2)no1)C1CC1 585121993 JCVAFZFUMWPNMJ-KRWDZBQOSA-N 331.372 1.530 0 40 EDAB Cc1ncoc1C(=O)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 257259133 KWZHHKOGZDGYDB-CYBMUJFWSA-N 341.371 1.357 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCO[C@@H](c2cnccn2)C1 257326260 WWNOCAIGVJRQCS-LLVKDONJSA-N 341.293 1.292 0 40 EDAB Cc1nnc2c(N3CCC(NC(=O)c4ccccc4)CC3)nccn12 345895945 ZXQBLOOHKURZTE-UHFFFAOYSA-N 336.399 1.832 0 40 EDAB O=C(O)[C@@H](Cc1cnc[nH]1)NC(=O)C1(c2cccc(Cl)c2)CC1 1602169162 GCRLDGOQCSEDHS-CYBMUJFWSA-N 333.775 1.907 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(C(=O)c2cncs2)CC1 257320054 VVDORACBUPCCES-UHFFFAOYSA-N 345.428 1.589 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257236195 HBDMHSKWCYDMLP-LBPRGKRZSA-N 347.444 1.552 0 40 EDAB CCOC(=O)[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C1CCCCCC1 594194774 LGRURPUYXZKIEQ-KBPBESRZSA-N 345.461 1.439 0 40 EDAB C[C@@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)NC(N)=O 602918998 XYTHURSAUIQYFR-HFKOZYHYSA-N 329.759 1.482 0 40 EDAB CC(C)CCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)C 1615046021 RBKWEQPQTRQUDE-UHFFFAOYSA-N 348.490 1.798 0 40 EDAB C[C@@H](N[C@@H]1CCN(CC2CC2)C1)c1ccc(S(N)(=O)=O)cc1F 1616041477 UQOSSWFKWMLPRX-DGCLKSJQSA-N 341.452 1.608 0 40 EDAB O=C(COc1ccccc1F)N1CC[C@H](Oc2ncc(F)cn2)C1 390828106 OTBRBSWBTDHBPA-LBPRGKRZSA-N 335.310 1.814 0 40 EDAB O=C(c1cc[nH]n1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 575402904 DWIVONNFEQKUCA-ZDUSSCGKSA-N 337.445 1.553 0 40 EDAB CO[C@@H]1CCN(C(=O)c2ccnc(N3CCCC3)c2)C[C@H]1CC(N)=O 585276179 MQKSRLLZZZATSY-HUUCEWRRSA-N 346.431 1.034 0 40 EDAB CNC(=O)[C@H]1COC2(CN(Cc3ccc(F)cc3)C2)CN1CC1CC1 585109654 YQOVOEHMAMYRQJ-QGZVFWFLSA-N 347.434 1.237 0 40 EDAB CN(C)C(=O)CC[C@]1(O)CCCN(Cc2ccccc2C(=O)O)C1 585276792 JBVTXWXWTDXFHX-GOSISDBHSA-N 334.416 1.580 0 40 EDAB Cc1cnc(C(=O)N2Cc3ncn(C)c3C[C@H]2CN2CCCC2)cn1 585094895 SPWJJDGTHUSNLE-AWEZNQCLSA-N 340.431 1.181 0 40 EDAB COC[C@@]1(CC(N)=O)CN(C(=O)c2cc3cccc(F)c3[nH]2)CCO1 585278684 QLNNNQFCCRSRIQ-QGZVFWFLSA-N 349.362 1.040 0 40 EDAB CO[C@H]1[C@H](C(=O)N(C)CCN2CCCCC2)CC[C@H]1N(C)C(C)=O 585280692 NJZZEJGTHOFJEI-ZACQAIPSSA-N 339.480 1.203 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)N2CCNC(=O)[C@H]2C(C)C)cc1 69776373 MXCFFURTHYXTKG-YXMGTMDOSA-N 330.384 1.469 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCCC1 71920106 RLNBKLGWXCNILT-UHFFFAOYSA-N 341.433 1.963 0 40 EDAB C[C@@H]1CCc2nn(CCNC(=O)Cc3ccccc3F)c(=O)cc2C1 72342279 OCBNNJQMOVEZOU-CYBMUJFWSA-N 343.402 1.866 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1 48009634 KBAYULSHAPJPIY-LBPRGKRZSA-N 337.401 1.427 0 40 EDAB O=C(NCCn1ccnc1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 46432127 WGRWLVUTTHWGFW-NSHDSACASA-N 334.326 1.331 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1 49030554 ZKHZYSLUDXLZOC-LBPRGKRZSA-N 334.420 1.340 0 40 EDAB COc1ccc(OC)c(-c2cc(C(=O)NCc3nncn3C)no2)c1 58218123 LWTOMOVXXKGAJQ-UHFFFAOYSA-N 343.343 1.417 0 40 EDAB Cc1cc(CN2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)no1 54459249 UZYRXULPLRVQIN-UHFFFAOYSA-N 345.447 1.610 0 40 EDAB COc1ccc(CN2CCC(NS(=O)(=O)C3CC3)CC2)cc1F 173048177 RYAUITHOBHPTPI-UHFFFAOYSA-N 342.436 1.881 0 40 EDAB CN(C(=O)C1CC1)c1ccccc1C(=O)N[C@@H]1CCCCNC1=O 56978671 OYPAWMLJLYWILE-CQSZACIVSA-N 329.400 1.458 0 40 EDAB NC(=O)C1(CNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CCOCC1 57010780 QCFCYJSXRJZDOR-QWRGUYRKSA-N 336.354 1.753 0 40 EDAB C[C@@H](C1CC1)N(C(=O)Cn1c(-c2cccnc2)noc1=O)C1CC1 76699632 YIVJQUJGHKAYJO-NSHDSACASA-N 328.372 1.688 0 40 EDAB C[C@H]1CN=C(N2CCN([C@@H](C(N)=O)c3ccc(F)cc3)CC2)S1 79496766 AWZYZVVMPTUTSN-SMDDNHRTSA-N 336.436 1.461 0 40 EDAB COc1ccc(CNC(=O)N2CCN(C[C@H](O)C3CC3)CC2)cc1 85466797 OSHCIWCSUSGEBP-KRWDZBQOSA-N 333.432 1.293 0 40 EDAB Cc1nc(N2CCN(C(=O)[C@H]3CCCO3)CC2)cc(-n2cccc2)n1 85557447 VIDDAFDPEXCJJK-OAHLLOKOSA-N 341.415 1.403 0 40 EDAB O=C1CCc2cc(C(=O)NCCc3nnc4n3CCC4)ccc2N1 42502788 CWMQUCKEAUOVME-UHFFFAOYSA-N 325.372 1.082 0 40 EDAB COC(=O)CCCNS(=O)(=O)c1ccc(Br)cc1 7304533 GBMBOFRCVZFUEG-UHFFFAOYSA-N 336.207 1.681 0 40 EDAB CCSc1nnc([C@H]2CCCN(CC(=O)N(CC)CC)C2)n1C 5001423 MWHDLYOPZQLDFO-ZDUSSCGKSA-N 339.509 1.975 0 40 EDAB CCC(=O)Nc1ccc(SCC(=O)Nc2nnc(C)s2)nn1 11739032 VNPKRZPKDSRVGR-UHFFFAOYSA-N 338.418 1.716 0 40 EDAB COC(=O)[C@@H]1C=CCN1C(=O)[C@@H]1ON=C(c2ccc(F)cc2)[C@@H]1C 12206045 UWDZNMXAMYVMPA-VZJVUDMVSA-N 332.331 1.505 0 40 EDAB Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)[C@H]2CCCO2)on1 12337709 VPQNEUZSISQPFB-CQSZACIVSA-N 345.403 1.643 0 40 EDAB COc1ccc(-c2nc(CC(=O)NC[C@@H](C)O)cs2)cc1OC 13692061 GVXHAKUJLKNAAB-SNVBAGLBSA-N 336.413 1.867 0 40 EDAB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ncc[nH]3)n2)cc1 15674718 AKAIEIUDJBFUME-OCCSQVGLSA-N 341.371 1.776 0 40 EDAB biogenic,in-vitro COc1cc(OC)c(OC)cc1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C 19575860 YSLQVUOJLZKJEI-AEGPPILISA-N 336.432 1.352 0 40 EDAB O=C(c1cn2ccccc2n1)N1CCC(CCN2CCOCC2)CC1 19657615 ILLDFPLVQCRVRW-UHFFFAOYSA-N 342.443 1.909 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)CC23CCC(CC2)C3)C1 555224160 LDIUVALVCGVLTK-NPCAHTBFSA-N 341.477 1.386 0 40 EDAB CC1(C)COCCN1CCNC(=O)c1cnccc1C(F)(F)F 569116642 LMKXVXIMGRJYHZ-UHFFFAOYSA-N 331.338 1.941 0 40 EDAB O=C(NCCOc1ccccc1)NCC1CCN([C@@H]2CCOC2)CC1 575609118 YJNGBYCPRLFNAX-QGZVFWFLSA-N 347.459 1.866 0 40 EDAB Cc1ccc(C(=O)NCCCOC(C)C)cc1NS(C)(=O)=O 10370582 SLNPKWNLJDHSEC-UHFFFAOYSA-N 328.434 1.911 0 40 EDAB Fc1cncnc1N1CCN(c2ccnc(N3CCCC3)n2)CC1 1889078003 DJONMZSXFACQJF-UHFFFAOYSA-N 329.383 1.333 0 40 EDAB CCN=c1cc(C)nc(N2CCN(c3ncnc4[nH]ccc34)CC2)[nH]1 1889151915 IHIVQOKFFCYJQE-UHFFFAOYSA-N 338.419 1.237 0 40 EDAB CCn1c(SCC(=O)NCCOC)nc2ccsc2c1=O 24753968 KZAWYRYNDAZTLZ-UHFFFAOYSA-N 327.431 1.333 0 40 EDAB CCC(CC)NC(=O)[C@@H]1C[C@@]2(CO1)CN(Cc1cnc[nH]1)CCO2 2056226381 QCZROTIOXDDAFT-RDJZCZTQSA-N 336.436 1.074 0 40 EDAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)C3(F)CCC3)CC2)C1 1614947903 OHIKUZSRCOQNRQ-CYBMUJFWSA-N 326.412 1.801 0 40 EDAB CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cc(OC)no1)CCC2 1565545325 FMPKRMPQSOISPW-UHFFFAOYSA-N 347.375 1.018 0 40 EDAB O=C(Cc1ccccc1)N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 1565546918 BIQPQLNHMKVPBZ-UHFFFAOYSA-N 348.468 1.692 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)[C@@H]1CCOC1)C2 1565555013 NTUQMHRHPRTRGE-DYVFJYSZSA-N 349.456 1.034 0 40 EDAB CC(C)N(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)O1 1565548432 BYWYQSGFQZDRKP-YOEHRIQHSA-N 336.436 1.140 0 40 EDAB CC(C)N(C)CC(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 1565545220 XGSAUMBWGGQJSS-LNLFQRSKSA-N 347.459 1.697 0 40 EDAB COc1ccc(C(=O)N2C[C@@H]3OCCN(C(C)C)[C@@H]3C2)c(OC)c1 1565551647 PYSFWGFEGRXEAQ-WBVHZDCISA-N 334.416 1.637 0 40 EDAB O=C([C@@H]1CCCO1)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 4165451 OAUHQRZRZOYKQL-KBPBESRZSA-N 325.361 1.648 0 40 EDAB Cc1ccnc(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 4330278 OKJGQMUEWZHTPX-NSHDSACASA-N 345.380 1.562 0 40 EDAB COCCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(OC)ccc21 101337876 KEOYOHGCPMWNTQ-MSUUIHNZSA-N 346.412 1.832 0 40 EDAB Cc1ccc(CCC(=O)N2CC(CN3C(=O)COC3=O)C2)cc1C 575615536 GCMQSHSZJGLSFK-UHFFFAOYSA-N 330.384 1.673 0 40 EDAB Cc1nsc(N2CCN(c3cccc(-n4cccn4)n3)CC2)n1 2298049946 KCALZQNZOCLYSV-UHFFFAOYSA-N 327.417 1.754 0 40 EDAB O=C([C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1)N1CCOCC1 678811910 IOSFPGQFCDDLPC-CYBMUJFWSA-N 335.473 1.703 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccsc2)cc1 56906497 JRKATBNINZTLJQ-CYBMUJFWSA-N 348.380 1.323 0 40 EDAB COc1ccc(NC(=O)C(=O)NCCCNc2ccccc2)cn1 40286693 TWVCXBHLMGHENB-UHFFFAOYSA-N 328.372 1.647 0 40 EDAB COC(=O)c1cc(NC(=O)C(=O)NCCc2ccccc2)ccc1O 40286714 QFMNSUYBZVKBLT-UHFFFAOYSA-N 342.351 1.476 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1OC[C@H]1CCCO1 40476119 HXSCGBCZGLWTJG-QWHCGFSZSA-N 339.413 1.161 0 40 EDAB CCCOc1ccc2c(c1)OCC(C(=O)N1CCC(C(N)=O)CC1)=C2 40540150 VWTZNUZJKUKCMH-UHFFFAOYSA-N 344.411 1.975 0 40 EDAB C[C@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCCO1 40501172 DBOAMUJJXFBNSI-ZFWWWQNUSA-N 334.420 1.285 0 40 EDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 101304776 VUXLYJSVGLYPPC-MQFWEAQZSA-N 329.352 1.999 0 40 EDAB CN(C)c1ncccc1CNC(=O)CCNC(=O)c1cccs1 32687851 BVNHRTLGYXLSLU-UHFFFAOYSA-N 332.429 1.645 0 40 EDAB C[C@@H](C(=O)NCc1cccs1)N1CCC(N2CCNC2=O)CC1 52216568 OLIOJSURWSQTFQ-LBPRGKRZSA-N 336.461 1.242 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCc2ccc(-n3cncn3)cc2)C1 32935774 VOARBUPQCHDWFE-ZDUSSCGKSA-N 335.433 1.334 0 40 EDAB O=C(CCS(=O)(=O)C1CCCC1)N[C@H]1COc2ccccc2C1 53047163 IPVSAPBWODRZMR-CQSZACIVSA-N 337.441 1.854 0 40 EDAB CN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCCCC1 22197557 RPBYAPPQVIZTCV-UHFFFAOYSA-N 339.461 1.927 0 40 EDAB O=C(CN1CCN(C(=O)Nc2cccnc2)CC1)N1CCCCCC1 53235509 ICKZQXATLWBOGS-UHFFFAOYSA-N 345.447 1.634 0 40 EDAB CC(C)OC(=O)c1ccc(OCc2cc(=O)n(C)c(=O)n2C)cc1 41722350 LBJDIACJQGJUFZ-UHFFFAOYSA-N 332.356 1.228 0 40 EDAB CC(C)C[C@H](CNC(=O)CN1CCSC1=O)N1CCOCC1 41935014 CADQONOWXJLCJU-CYBMUJFWSA-N 329.466 1.018 0 40 EDAB COc1ccc(CN2CCN(CC(=O)NC3CCCC3)CC2)cc1 22925481 FCXMOYWTZSZNIO-UHFFFAOYSA-N 331.460 1.872 0 40 EDAB Cn1ncc2c1N=C(O)CS[C@@H]2c1cccc(OCC(N)=O)c1 61717807 OAMXRMJGDQVDEN-CQSZACIVSA-N 332.385 1.708 0 40 EDAB CCN1CCN(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 3194687 OKKVANOZMYBTJJ-UHFFFAOYSA-N 336.461 1.895 0 40 EDAB Cc1ccccc1[C@@H](O)CN1CCO[C@H](CNc2cccnn2)C1 78893900 BWPYDTSMJFDTPL-WBVHZDCISA-N 328.416 1.631 0 40 EDAB CCc1ccc([C@H](CNC(=O)N2CCO[C@H](CO)C2)N(C)C)cc1 78832534 DIEGUQWUXHILGJ-IRXDYDNUSA-N 335.448 1.254 0 40 EDAB COc1ccc(CN2CCN(CC(=O)N3CCCCC3)CC2)cc1F 78955119 ZUOGKMPHAUJKCY-UHFFFAOYSA-N 349.450 1.964 0 40 EDAB COc1cccc2c1OC[C@@H](NC(=O)N1CCN(C3CC3)CC1)C2 105243063 CLAVDPUEUDKFOY-AWEZNQCLSA-N 331.416 1.488 0 40 EDAB O=C(NCCCN1CCN(c2ccccc2)CC1)N1CCSCC1 79351923 RQHKJQZHAYLRKH-UHFFFAOYSA-N 348.516 1.957 0 40 EDAB CCc1noc(CN(C)C(=O)CNC(=O)c2cc3ccccc3[nH]2)n1 79935483 BJZUKPODXYKLHQ-UHFFFAOYSA-N 341.371 1.502 0 40 EDAB COC(=O)[C@H]1[C@H](O)C(=O)N(Cc2ccc(C)cc2)[C@@H]1c1ccco1 3849531 MMAUNMMEUYYORX-OAGGEKHMSA-N 329.352 1.822 0 40 EDAB O=C1O[C@@H](C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)Cc2ccccc21 43056077 DILRFHSJDDISIU-JKSUJKDBSA-N 338.363 1.650 0 40 EDAB O=C1NCCN(Cc2cccs2)[C@H]1CC(=O)N1CCCCCC1 55035952 PMUXVGOXSAVOKY-HNNXBMFYSA-N 335.473 1.841 0 40 EDAB O=C(C[C@H]1SC(N2CCCC2)=NC1=O)NCCc1ccccc1F 55117315 RDSBWEUZPCFXGI-CQSZACIVSA-N 349.431 1.968 0 40 EDAB COc1ccc(OC)c(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 6360144 SIDGIBQMEFLQAK-STQMWFEESA-N 344.367 1.594 0 40 EDAB COC(=O)[C@@H](CN1CCCC1)[C@@](O)(c1nccn1C)C(F)(F)F 24927093 SWNDJQGTXIQNIL-ZWNOBZJWSA-N 335.326 1.055 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NCCN1CCCS1(=O)=O)C2 106866266 QJZMBVHZJOXVJR-XEZPLFJOSA-N 343.493 1.536 0 40 EDAB O=C(Nc1ccccc1)[C@H]1CCCN(C[C@H](O)CN2CCOCC2)C1 34887445 WLXHYBMTFXDOHP-FUHWJXTLSA-N 347.459 1.030 0 40 EDAB CC(C)OCCCNC(=O)CN1CCN(c2nccs2)[C@H](C)C1 95351823 SYIUGNRSRMOHQI-CQSZACIVSA-N 340.493 1.585 0 40 EDAB CNC(=O)c1cccc(CNC(=O)CCn2c(C)csc2=O)c1 25625453 OLRHNIHONFRPQE-UHFFFAOYSA-N 333.413 1.284 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCOCc1ccco1 43753006 AWYYREVFVLGKDU-AWEZNQCLSA-N 344.433 1.117 0 40 EDAB C/C=C/C(=O)OCC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C 25974509 MSIJOKZBUYDBDT-IHVVCDCBSA-N 339.413 1.767 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)CCO1 56822830 QJYCSTIEJMMBDN-HNNXBMFYSA-N 341.411 1.827 0 40 EDAB Cc1cc(C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)no1 57358314 HJFKLIJSJOKGCD-UHFFFAOYSA-N 339.355 1.748 0 40 EDAB O=C(NC[C@H](O)CN1CCCCC1)Nc1cccnc1-n1cccn1 48196884 NJUMSHALVWFBNH-AWEZNQCLSA-N 344.419 1.236 0 40 EDAB COC(=O)N1CCC(NC(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 57452769 ZRWQOQAHNQUGSA-KRWDZBQOSA-N 345.443 1.998 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2C)n(C)c1 27065028 JCJIXUBHYQAGKE-UHFFFAOYSA-N 325.365 1.633 0 40 EDAB C[C@H](C(=O)N1CCNC1=O)N1CCC(c2nc3ccccc3o2)CC1 12786059 HDUTTYAXATVGPE-GFCCVEGCSA-N 342.399 1.948 0 40 EDAB CCCNC(=O)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 44873485 NYHVTRYGIHYWLF-UHFFFAOYSA-N 341.459 1.516 0 40 EDAB CC(C)(CNC(=O)NCc1ccc2c(c1)OCCO2)N1CCOCC1 44892543 XSYLQOYAZDLKRB-UHFFFAOYSA-N 349.431 1.368 0 40 EDAB Cn1cc(S(=O)(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cn1 58265402 GUIFJIQDPPNHPC-CQSZACIVSA-N 348.428 1.003 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCOc1cccc(F)c1 27716619 HHGGHJLWKCPAPP-CQSZACIVSA-N 344.408 1.135 0 40 EDAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccc(O)cc1 44907099 YSOUQEGQTDBOSM-UHFFFAOYSA-N 326.274 1.889 0 40 EDAB C[C@H](CNC(=O)Nc1nncs1)N1CCN(c2ccccc2)CC1 44944870 SOJWUYJSULHRSV-CYBMUJFWSA-N 346.460 1.870 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCCc3cccnc3)CC2)no1 48324852 MONAFGQBUMIXAQ-UHFFFAOYSA-N 329.404 1.448 0 40 EDAB COc1ncccc1CNC(=O)NCc1ccc(S(C)(=O)=O)cc1 48362773 OSVITUHTFXKEIJ-UHFFFAOYSA-N 349.412 1.493 0 40 EDAB C[C@H](O)CNC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@H](C)C4 2225929 JZPPJONMVYUHDE-IUCAKERBSA-N 345.428 1.574 0 40 EDAB CCCCOC(=O)c1ccc(NC(=O)C(=O)NCCN(C)C)cc1 2294645 PFKNKSUTUCWPSC-UHFFFAOYSA-N 335.404 1.260 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 110625795 MJCMGHMNELNXMX-JHJVBQTASA-N 342.509 1.780 0 40 EDAB COc1ccccc1OCC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 10928720 XDLGKXJWELAGNU-UHFFFAOYSA-N 341.323 1.243 0 40 EDAB O=C(CN1CCC[C@@H]1C(=O)Nc1ccccc1)NCC(F)(F)F 12813346 ORWAPGNBXZZGKO-GFCCVEGCSA-N 329.322 1.768 0 40 EDAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CCO)CCN2CCOCC2)o1 84688895 QSSWRIRMDUOWQZ-VFYPNZCPSA-N 348.443 1.569 0 40 EDAB COc1ccccc1CCNC(=O)NCCNC(=O)c1ccco1 29324135 GLMNLZCSBNBGFW-UHFFFAOYSA-N 331.372 1.560 0 40 EDAB CCN(C[C@@H]1CN(Cc2cnc(C)s2)CCO1)c1cccnn1 84774673 CLVVLKYBZVAZDO-AWEZNQCLSA-N 333.461 1.969 0 40 EDAB CC[C@@H](C)NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 2652798 PYEVMJJSZUGTRB-DIFFPNOSSA-N 331.372 1.131 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCCCC2)c1C 3543391 NRRRRPMICHSTGG-UHFFFAOYSA-N 336.388 1.978 0 40 EDAB COc1ccc(CCC(=O)N(C)CC(N)=O)cc1Br 46980188 OUQKHURYEMVPGV-UHFFFAOYSA-N 329.194 1.334 0 40 EDAB CCc1sc(C(=O)OCC(=O)N(C)CC(=O)NC2CC2)cc1C 12993748 GEXSTRFJFIHFAB-UHFFFAOYSA-N 338.429 1.513 0 40 EDAB O=C(Cn1ccnn1)NC1CCN(c2nc3ccccc3s2)CC1 95408103 VXYITORDAKQGOH-UHFFFAOYSA-N 342.428 1.673 0 40 EDAB O=C(O)C[C@@H]1CSCCN1C(=O)CCc1nc(C2CC2)no1 95424717 OMINAOJGFPWHHD-SNVBAGLBSA-N 325.390 1.298 0 40 EDAB O=C(Nc1ccc(Cl)cn1)C(=O)N1CCN(c2ccccn2)CC1 9306522 MYBZBUVCVRBFJH-UHFFFAOYSA-N 345.790 1.417 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O 4308474 PHXYKQDXCDFPSH-KRWDZBQOSA-N 335.379 1.851 0 40 EDAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)NCCc1ccccc1 14140190 HZVYHMKOJHHIJW-GOSISDBHSA-N 337.423 1.258 0 40 EDAB Cc1ccc2c(CC(=O)N[C@@H](C)CN3CCOCC3)cc(=O)oc2c1 65609247 YKDAOQKACIASOL-AWEZNQCLSA-N 344.411 1.481 0 40 EDAB C[C@@H](CNC(=O)N[C@H](C)c1nncn1C)N1CCc2ccccc2C1 65623121 ZRKMIJCMONNOGI-UONOGXRCSA-N 342.447 1.622 0 40 EDAB O=C1c2ccccc2C(=O)N1CCn1nc(-c2cccs2)oc1=O 9450325 LOPFUIQRMNPRGE-UHFFFAOYSA-N 341.348 1.861 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)Nc1nc2ccccc2[nH]1 6657550 RDOPQRKGRNDGGV-UHFFFAOYSA-N 325.353 1.973 0 40 EDAB Cc1cnc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)s1 66247502 ZXFMBBJQUWBBFS-UHFFFAOYSA-N 338.414 1.443 0 40 EDAB CCC[C@H](C)NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 4723843 DMMUFJYLFMADHI-LBPRGKRZSA-N 328.434 1.766 0 40 EDAB O=C(Nc1cc(Cl)ccc1O)c1cnc2nc(O)[nH]c(=O)c2c1 67139086 UJJYCVDQMPCBCK-UHFFFAOYSA-N 332.703 1.635 0 40 EDAB Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCOCC1)CC2 96466513 OSONETULWFBUKE-SNVBAGLBSA-N 329.322 1.768 0 40 EDAB O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 67612441 QCNLPZZGRKBRBF-BBWFWOEESA-N 343.427 1.575 0 40 EDAB CCCNC(=O)CN1CCC(NC(=O)N2Cc3ccccc3C2)CC1 71879699 GQHRXLBKDFOXTG-UHFFFAOYSA-N 344.459 1.702 0 40 EDAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 71847425 RLVQVFACAVJXFZ-GDBMZVCRSA-N 342.395 1.376 0 40 EDAB CCOc1c(Cl)cc(C(=O)N[C@H]2CCC(=O)NC2)cc1OC 71853321 TUCVNIQKOKOFJG-JTQLQIEISA-N 326.780 1.756 0 40 EDAB C[C@@H]1CN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C[C@@H](C)O1 19902509 RACLNFSSOZJNHU-NXEZZACHSA-N 337.445 1.383 0 40 EDAB O=S1(=O)CCCN(Cn2nc(-c3cccs3)[nH]c2=S)CC1 71920491 SXMMHSMQEBGKRZ-UHFFFAOYSA-N 344.487 1.747 0 40 EDAB CCN1CCCC[C@@H]1C(=O)OCc1cc(=O)n2cccc(C)c2n1 71921307 FFOSQKBNSNGEOW-OAHLLOKOSA-N 329.400 1.921 0 40 EDAB COc1ccc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)c(OC)c1 9647054 BUHWWJFXNFRKFQ-UHFFFAOYSA-N 349.387 1.753 0 40 EDAB O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCCN1C(=O)OCC(F)(F)F 69397088 NCJNDDRVWLVETJ-PWSUYJOCSA-N 349.353 1.503 0 40 EDAB CCOC(=O)c1cccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409381293 FDYAIOMNHOBMFG-ZUMXRPEOSA-N 345.351 1.846 0 40 EDAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCCN1CCOCC1 69414745 APCCJUUHKYQMKE-LBPRGKRZSA-N 346.349 1.921 0 40 EDAB O=C(NCCc1nccn1C(F)F)C(=O)N1CCc2ccccc21 69456457 AFJZHTNUKCQJCN-UHFFFAOYSA-N 334.326 1.526 0 40 EDAB CCc1noc([C@@H](C)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 69418244 WVTDUGKGVQBAFA-CJNGLKHVSA-N 343.431 1.537 0 40 EDAB COc1ccccc1[C@H]1C[C@@H]1C(=O)NCCN1CCN(C(C)=O)CC1 69510609 MYHVOVXLBUVLRA-SJORKVTESA-N 345.443 1.079 0 40 EDAB Cn1cnc2c1CCN(CCC(=O)N1CCc3sccc3C1)C2 69655272 RCYRHKVPJFWYFS-UHFFFAOYSA-N 330.457 1.815 0 40 EDAB CCN1CCN(C2CCN(C[C@H](O)COc3ccccc3)CC2)C1=O 69624661 DLTUWAFYBKEXRF-KRWDZBQOSA-N 347.459 1.648 0 40 EDAB COc1ccccc1-c1noc(CSc2nc(N)cc(=O)[nH]2)n1 18167547 CVRGXSRDRABXBH-UHFFFAOYSA-N 331.357 1.703 0 40 EDAB O=C(NCCc1nccn1C(F)F)C(=O)Nc1c(F)cccc1F 69970633 DLXCWEXMWFSDCU-UHFFFAOYSA-N 344.268 1.854 0 40 EDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1ccnn1C 95949028 JNAHMORUZXBJLI-KRWDZBQOSA-N 326.400 1.572 0 40 EDAB COc1ccc(CN(CCCS(C)(=O)=O)[C@H](CO)C(C)C)cc1 95995483 WTVWQPSQLUIPLT-QGZVFWFLSA-N 343.489 1.949 0 40 EDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1Cc1cccc(OC)c1 8992359 IWPJILGLKDWAEN-UONOGXRCSA-N 340.470 1.786 0 40 EDAB Cc1cnc2c(S(=O)(=O)N[C@H]3CCCn4ncnc43)cccc2c1 97013363 KJWOZKXFNADZPH-ZDUSSCGKSA-N 343.412 1.948 0 40 EDAB O=C(NCCCN1CCCCC1=O)NCCCN1CCCCC1=O 72269988 IXAGHJIPNNNPKX-UHFFFAOYSA-N 338.452 1.091 0 40 EDAB O=C(Cn1ccc2ccccc21)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269414 IOGNDGYVBZZZMY-MSOLQXFVSA-N 327.428 1.699 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN([C@@H](C)c3nc(C4CC4)no3)CCO2)n1 72253517 NSXJYLZEMDLBAQ-HZMBPMFUSA-N 332.408 1.617 0 40 EDAB CC(C)c1nc(NCCc2nnc3n2CCCC3)nc(N(C)C)n1 97109582 QZWQCHFODZVRDJ-UHFFFAOYSA-N 330.440 1.643 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2F)C1 97138791 CNPPGUURUXBFLP-SSDOTTSWSA-N 338.763 1.382 0 40 EDAB Cc1cccc(NC(=O)N2CCN([C@@H](C)c3nc(C)no3)CC2)n1 97142814 HCBGDYXKFRQADE-LBPRGKRZSA-N 330.392 1.992 0 40 EDAB CN(C[C@H](O)C1CC1)C(=O)[C@H]1CCCN1c1ncnc2sccc12 87557085 RCKHRUSKBZWOGL-KGLIPLIRSA-N 346.456 1.889 0 40 EDAB CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 32073051 OWDRHAWINOIPKS-GFCCVEGCSA-N 348.490 1.099 0 40 EDAB NC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc(F)ncn2)c[nH]1 1045493815 XXOTZCTUARNQMI-GHMZBOCLSA-N 346.366 1.196 0 40 EDAB CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)C(=O)c1cc2ccccc2n1C 1553983504 WXTOYLMLDBHHNZ-CZUORRHYSA-N 339.399 1.941 0 40 EDAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCC(C)C 409390774 LKVIKNPFFHJYSW-UHFFFAOYSA-N 342.461 1.833 0 40 EDAB Cn1nnnc1N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 531528898 RATOJKRJKJEZRB-MRXNPFEDSA-N 336.399 1.762 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCCCO)ccc1N1CCCCC1 217594826 WLWCGGODZSADNN-UHFFFAOYSA-N 342.417 1.036 0 40 EDAB O=S(=O)(NCCc1c[nH]cn1)c1ccc(Br)cc1 6622515 HLNRBBMNCPYRSK-UHFFFAOYSA-N 330.207 1.693 0 40 EDAB CCOc1ccccc1NS(=O)(=O)c1nnc(NC(C)=O)s1 36182840 ZDWSVTIQIYSZRD-UHFFFAOYSA-N 342.402 1.696 0 40 EDAB O=C(c1nccs1)C1CCN(C(=O)c2cnn3cccnc23)CC1 72334838 VRRNXPOQPBZLCQ-UHFFFAOYSA-N 341.396 1.921 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)C1CCCC1 77264062 BIHOGBJYWOARKW-ZACQAIPSSA-N 336.407 1.350 0 40 EDAB biogenic,in-vitro COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCOCC3)nn1C)C2 32097073 VDJZFLVFKGLISX-UHFFFAOYSA-N 343.383 1.481 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2(N)CO)cc1 218570800 HJGLTZLPAOUQSF-BBWFWOEESA-N 335.400 1.764 0 40 EDAB CCCS(=O)(=O)N1[C@H](C(=O)OCC)C[C@@H]2C(=O)CCCC[C@@H]21 219775190 KDYDEIUWSWFWCH-AVGNSLFASA-N 331.434 1.492 0 40 EDAB COc1coc(C(=O)NCc2nc(O)c3ccccc3n2)cc1=O 564595069 TXUACWQZTSUTCE-UHFFFAOYSA-N 327.296 1.227 0 40 EDAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCCCO 222979543 XKGGICMFODNCHD-AWEZNQCLSA-N 336.432 1.711 0 40 EDAB Cc1ccc(OC2CCN(c3nc(N)c4cnn(C)c4n3)CC2)nc1 225515089 HACOYEHFFWBXOL-UHFFFAOYSA-N 339.403 1.697 0 40 EDAB CC(C)Oc1ncccc1C(=O)NS(=O)(=O)N(C)c1ccccc1 225471124 WITIUBWQQIQYCV-UHFFFAOYSA-N 349.412 1.980 0 40 EDAB Cc1nccn1CCNC(=O)CN1CCN(c2ccccc2)C1=O 49377912 UFZPOPJYXONXGG-UHFFFAOYSA-N 327.388 1.250 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)c2oc(C)nc2C)C1 576332162 WUINDFFORBFHSY-NEPJUHHUSA-N 331.376 1.889 0 40 EDAB O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1cc(-c2cccs2)n[nH]1 225786058 XAGXWHMECLBONN-SNVBAGLBSA-N 341.396 1.509 0 40 EDAB O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1cccc(F)c1 96447580 JKQLIBDDFGVONW-UHFFFAOYSA-N 334.391 1.927 0 40 EDAB Cc1ccnc(OC[C@]23COC[C@H]2CN(C(=O)C2=CCCC2)C3)n1 96111021 OEKRMGYTMLFDGQ-QAPCUYQASA-N 329.400 1.749 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(Cc1nccn1C)C2 96238229 ORBGGAZZGJOWPC-KRWDZBQOSA-N 345.472 1.405 0 40 EDAB CC(C)Oc1ccccc1C(=O)N1CCC[C@](O)(c2cnn[nH]2)C1 583619039 ZAGZMEXAYRDLDB-QGZVFWFLSA-N 330.388 1.716 0 40 EDAB Cc1nn[nH]c1C(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 583620974 WWBBXZJXUQGASE-HOCLYGCPSA-N 329.404 1.257 0 40 EDAB CC(C)(C)[C@@H](O)[C@@](Cl)(I)S(C)(=O)=O 96520044 QQUXFEBXUJPNCX-IYSWYEEDSA-N 340.610 1.766 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ncccc2C(F)(F)F)C1 97235608 FSIWEXJVHNIWRP-SNVBAGLBSA-N 337.367 1.614 0 40 EDAB O=C(NCCCO)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 230196065 NRPMKRZHVSAJJP-KZNAEPCWSA-N 331.460 1.969 0 40 EDAB Cc1cc(-n2cncn2)ccc1C(=O)N[C@H](C)CCN1CCOCC1 96426499 XKGWLGXLPJTNLB-OAHLLOKOSA-N 343.431 1.416 0 40 EDAB Cc1ccc(Cn2nnc(C(=O)N3CCN(C)CC3)c2Cl)cc1 96183402 XPMSMOOPYKSXAG-UHFFFAOYSA-N 333.823 1.676 0 40 EDAB CC(=O)N[C@H](CCCCN)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 98091802 NBOQAQRQQNJREL-OAHLLOKOSA-N 345.399 1.674 0 40 EDAB Cn1cccc(C(=O)N2CC[C@H](S(=O)(=O)c3ccccc3)C2)c1=O 96365470 XDDCMBQHQSQNPG-AWEZNQCLSA-N 346.408 1.074 0 40 EDAB COc1ccc(C2=NO[C@](C)(C(=O)NCCCn3cccn3)C2)cc1 96192752 UKUSQPAKUUXWRC-SFHVURJKSA-N 342.399 1.981 0 40 EDAB Cn1cccc1C(=O)NC[C@]12COC[C@H]1CN(Cc1ccco1)C2 96108432 ZMXBMVLWRXNNHY-KDOFPFPSSA-N 329.400 1.497 0 40 EDAB Cn1ccc(C(=O)N[C@H]2CCC23CCN(Cc2cnn(C)c2)CC3)c1 96051693 DVTNYXQACMNCOX-KRWDZBQOSA-N 341.459 1.933 0 40 EDAB Cn1nccc1C(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 248047356 PWWUFXPNPJEAEK-NSHDSACASA-N 348.403 1.733 0 40 EDAB CNC(=O)[C@]1(C)CN(C(=O)Cc2c(F)cccc2Cl)CCO1 257271094 MWVRYPMMBHTWND-HNNXBMFYSA-N 328.771 1.385 0 40 EDAB Cc1cc(N2CCC[C@](O)(CNC(=O)Cc3ccsc3)C2)ncn1 257276752 NUYQRHHZGHWZTE-KRWDZBQOSA-N 346.456 1.537 0 40 EDAB Cc1cc(-c2cc([C@@H]3CCCCN3S(C)(=O)=O)nc(C)n2)[nH]n1 257211834 CAQJAWDUVOHWLO-HNNXBMFYSA-N 335.433 1.970 0 40 EDAB O=S1(=O)CC(C2CN(Cc3cc(Br)cs3)C2)C1 585136101 QELYIPOCWBOELQ-UHFFFAOYSA-N 336.276 1.987 0 40 EDAB NC(=O)c1ccc2c(n1)N(C(=O)CSC[C@@H]1CCCCO1)CCC2 585114355 MUUHAFYKPFNLNO-ZDUSSCGKSA-N 349.456 1.762 0 40 EDAB Cc1onc(N)c1S(=O)(=O)Nc1ccc(N=S(C)(C)=O)cc1 585119219 XTMZBHJMYKBZRY-UHFFFAOYSA-N 344.418 1.725 0 40 EDAB CCOC[C@H](NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)C(C)C 585132264 RNPDXJKDUOUWKS-MXWKQRLJSA-N 345.383 1.387 0 40 EDAB C[C@H](CNC(=O)N[C@H]1CCCc2nn(C)cc21)CC1(C)OCCO1 252496363 PHPZKNVMCOLHLB-JSGCOSHPSA-N 336.436 1.886 0 40 EDAB Cc1cc(CNC(=O)N(C)CCO)ccc1I 252485929 HFHKQASZCHGQNO-UHFFFAOYSA-N 348.184 1.733 0 40 EDAB Cc1ocnc1C(=O)N1CCC[C@@H](Cc2nccnc2N(C)C)C1 257344544 ZXSPIXADXNZNBY-ZDUSSCGKSA-N 329.404 1.934 0 40 EDAB O=C(N[C@H]1CCCNC1=O)c1ccnc(Cc2cccc(F)c2)c1 257329164 XITRCIHQERFFII-INIZCTEOSA-N 327.359 1.820 0 40 EDAB c1cnc([C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)cn1 257234183 GSMRFLRFMREQPX-INIZCTEOSA-N 326.404 1.440 0 40 EDAB COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2cncn2C)cc1 257313008 UQPGZMNWRLJNMT-SFHVURJKSA-N 328.416 1.834 0 40 EDAB O=C(Cc1cccs1)NCc1nnc2ccc(N3CCCC3)nn12 252483150 DWBZUAKPABMXHV-UHFFFAOYSA-N 342.428 1.645 0 40 EDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NCCCN(C)C)cn1 257342899 ZQNZUFKDFXRFNQ-UHFFFAOYSA-N 343.431 1.190 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C(F)(F)C2)cc1 289644919 JOGQSHOQECMRLB-GFCCVEGCSA-N 349.355 1.816 0 40 EDAB CC(=O)N[C@@H]1CN(c2ncc3ccccc3n2)C[C@H]1c1nccn1C 1615546753 BYMRSEUHLNSSQT-GDBMZVCRSA-N 336.399 1.472 0 40 EDAB C[C@@H](O)CNC(=O)CN1CSC(=S)N(Cc2ccccc2)C1 1615587413 ZGZZEPJUYFWWTH-GFCCVEGCSA-N 339.486 1.234 0 40 EDAB CNC(=O)[C@H]1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)C1 600688403 HUMLNHDCFAQJRL-UEWVTKSYSA-N 333.476 1.385 0 40 EDAB CN1CCC(C)(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)CC1 585276675 OVUGZNYVBHQUBK-IBGZPJMESA-N 332.444 1.761 0 40 EDAB CNc1nc([C@@H]2CCN(CC(C)C)C2)nc2c1CCN(C(C)=O)C2 585260969 KRPUBWCPLIVJHY-CQSZACIVSA-N 331.464 1.868 0 40 EDAB Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 585289039 DGPHPZYZOSONQX-QDIARDEESA-N 343.431 1.518 0 40 EDAB CCOC(=O)c1cnn(CN2CCC3(CC2)OCCO3)c1C(F)F 65495750 OIEMZMMRODXAMI-UHFFFAOYSA-N 345.346 1.794 0 40 EDAB O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccccc2)C1 585285192 OZMOCBQMDOGXLO-AZUAARDMSA-N 340.423 1.414 0 40 EDAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1F 69218968 XITLSVGCVHCGTI-INIZCTEOSA-N 349.406 1.396 0 40 EDAB CC(C)n1ncnc1CNC(=O)C[C@H]1C(=O)Nc2c(F)cccc21 935748589 YDXRYECGMXQGEO-LLVKDONJSA-N 331.351 1.740 0 40 EDAB CCOc1c(C)cc(S(=O)(=O)NC[C@](C)(O)COC)cc1C 70655711 YLNDRUPJPCJLOR-HNNXBMFYSA-N 331.434 1.378 0 40 EDAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1cc(F)ccc1F 48355272 QXVHSOGZALGOPJ-UHFFFAOYSA-N 342.323 1.873 0 40 EDAB O=C(NCCn1ccnc1)Nc1ccc(CCN2CCOCC2)cc1 56762568 RVEIUXJFZWLJPN-UHFFFAOYSA-N 343.431 1.580 0 40 EDAB O=C(NCCN1CCOCC1)Nc1cnn(-c2ccccc2F)c1 84515021 NVZZXKZEDPELLM-UHFFFAOYSA-N 333.367 1.465 0 40 EDAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(S(C)(=O)=O)C2)n1 12118573 YFCNVYWMYCTELE-CQSZACIVSA-N 332.429 1.986 0 40 EDAB O=C(CCn1ccc2ccncc21)N1CCN(C[C@@H]2CCOC2)CC1 12144265 PRZVIWLXSHTWBN-INIZCTEOSA-N 342.443 1.607 0 40 EDAB CN(C)C(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 12325391 MBUJWWCNAKZSPN-UHFFFAOYSA-N 344.392 1.793 0 40 EDAB COc1ccc(CNC(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1 14160029 FWKPRACDDDXNIR-UHFFFAOYSA-N 330.384 1.631 0 40 EDAB O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCNCC1 15442730 HAZRVNXEDCIYHY-UHFFFAOYSA-N 339.642 1.696 0 40 EDAB Cc1noc(C)c1CC(=O)NCCS(=O)(=O)N1CCCC[C@H]1C 19580487 XZQDIEJBZJWHIP-LLVKDONJSA-N 343.449 1.154 0 40 EDAB CCN(CC)C(=O)CN1CCC[C@@H]1c1nc(CNC)cc(NC)n1 19760569 MEMWNPHRFZXKAL-CQSZACIVSA-N 334.468 1.243 0 40 EDAB Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)N2CCOCC2)cc1 19898828 NNXVDDORYDTIQP-QGZVFWFLSA-N 328.368 1.859 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)c(C)c1 19931234 TXKBCNPSKFXUSB-MRXNPFEDSA-N 346.452 1.987 0 40 EDAB COc1cccc(CN2CCN(C(=O)Cc3ccccn3)CC2)n1 161973805 VCLVKRBANNVCPV-UHFFFAOYSA-N 326.400 1.372 0 40 EDAB CC(C)n1nccc1NC(=O)C(=O)N(Cc1cccnc1)C1CC1 162672515 ISXCZFUTHZCFJC-UHFFFAOYSA-N 327.388 1.989 0 40 EDAB CN1CCN(C(=O)c2cc([C@H]3CNCCO3)nc3ccccc23)CC1 257325527 WTIOMBRJEBXXQM-GOSISDBHSA-N 340.427 1.283 0 40 EDAB CC1CCN(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)CC1 3416986 JGZYZUIDUDPTFX-UHFFFAOYSA-N 329.360 1.078 0 40 EDAB O=C(c1ccc(O)nn1)N1CCN(Cc2cccc(Cl)c2)CC1 23639163 XINBNDMRIUVNFS-UHFFFAOYSA-N 332.791 1.794 0 40 EDAB CC(C)N1CC[C@H](N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)C1=O 1888842591 RXYYUEFBWDXREK-XHSDSOJGSA-N 341.411 1.117 0 40 EDAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)c3cccn(C)c3=O)C2)nc1 1889122706 HCXUYSNPTWNDDC-AWEZNQCLSA-N 341.415 1.225 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(C)n2C)cc1 23575144 MWEQNNUNTZZFNC-UHFFFAOYSA-N 349.456 1.491 0 40 EDAB Cc1c(C(=O)N2CCOc3ccccc32)cnn1-c1ccc(O)nn1 24586047 STRHTUZNYQPMRG-UHFFFAOYSA-N 337.339 1.716 0 40 EDAB CC(C)(CNC(=O)c1cncc(Br)c1)N1CCOCC1 23625313 KONIOIOMQYRYQR-UHFFFAOYSA-N 342.237 1.685 0 40 EDAB O=C(CCn1cccn1)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223426 KUOMJHKHGLFPIW-IRXDYDNUSA-N 332.448 1.375 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2ccc(O[C@H]3CCOC3)nc2)CC1 253472835 QAIWBOFSQKJRTR-AWEZNQCLSA-N 349.387 1.164 0 40 EDAB Cc1cc(N2CCCC2)nc(N2CCN(Cc3nc(C)no3)CC2)n1 2087124868 OTTICIFQPHGVLQ-UHFFFAOYSA-N 343.435 1.399 0 40 EDAB CC(=O)N1C(=S)NC(=O)/C1=C\c1cc2cccc(C)c2[nH]c1=O 15277052 NYDLKYOSCPTZGV-KPKJPENVSA-N 327.365 1.441 0 40 EDAB CC1CCN(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)CC1 40071761 DBNFGXMNSHDUPC-UHFFFAOYSA-N 338.477 1.748 0 40 EDAB NC(=O)COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1 31184288 YKQKYMYXVJIDAT-UHFFFAOYSA-N 338.323 1.040 0 40 EDAB CC(=O)[C@@H](NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3)C(C)C 31628611 NGHADVPDCJNAKE-HNNXBMFYSA-N 347.440 1.677 0 40 EDAB C[C@H]1COCCN1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 40520520 RNZOXDZVGHAXOW-QMMMGPOBSA-N 346.792 1.080 0 40 EDAB Cc1nc(C(=O)NCCN2CCCCC2)nn1-c1ccc(F)cc1 40534248 UYGFVWDCNRTZBC-UHFFFAOYSA-N 331.395 1.931 0 40 EDAB O=C(O)CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 20746098 FSZLNQQIEFCYSL-UHFFFAOYSA-N 329.356 1.317 0 40 EDAB O=C(c1nnn[nH]1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 101492301 HNEUFUPFAPEBIL-UHFFFAOYSA-N 333.307 1.440 0 40 EDAB CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 101948158 HJQFIYOXJTWIPH-IUVQAAGXSA-N 343.379 1.935 0 40 EDAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)nc21 32815596 WIXUJNPKYSPYHT-UHFFFAOYSA-N 344.758 1.205 0 40 EDAB O=C(CNC(=O)Cc1cccc(F)c1)NC[C@@H]1Cc2ccccc2O1 52615961 JVOCNCPIPDXZFY-INIZCTEOSA-N 342.370 1.604 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)N3CC[C@H]4CCCC[C@H]4C3)cnc21 41800966 MBBHNTLEMSCBKB-KGLIPLIRSA-N 343.431 1.559 0 40 EDAB Cc1ccc(CNC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)cn1 103549095 GNTYWRJFCRQMME-UHFFFAOYSA-N 340.408 1.856 0 40 EDAB CCNC(=O)NC(=O)COC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 104176138 AJEAQSRPEAJRGV-VDQHWBOFSA-N 338.404 1.097 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)c2ccccc12 58364893 LHHUJCREOREFBP-GFCCVEGCSA-N 348.424 1.748 0 40 EDAB Cn1cc(Br)c(C(=O)n2cc(Br)cn2)n1 78650 GFZWBNUFTSLGGJ-UHFFFAOYSA-N 333.971 1.830 0 40 EDAB CSc1cccc(NC(=O)CN2CCCC[C@H]2CNC(N)=O)c1 58304852 FEFXCSABZAROTQ-ZDUSSCGKSA-N 336.461 1.870 0 40 EDAB Cc1ccccc1-c1nnc(SCC(=O)N2CCOCC2)n1C 411937 UDKFZEZPDLPLPO-UHFFFAOYSA-N 332.429 1.741 0 40 EDAB CN(C(=O)c1[nH]nc2c1CCCC2)[C@@H]1CCCC[C@H]1S(C)(=O)=O 89334961 VNLLZLJEBHMJDJ-ZIAGYGMSSA-N 339.461 1.716 0 40 EDAB O=S(=O)(O)c1ccc(NNc2ccc(S(=O)(=O)O)cc2)cc1 1670114 CLGOJWOVTIGLHI-UHFFFAOYSA-N 344.370 1.619 0 40 EDAB O=C(NC(C1CC1)C1CC1)C1CCN(c2ccc3nncn3n2)CC1 30801614 MPYRPDASSZWJOE-UHFFFAOYSA-N 340.431 1.646 0 40 EDAB CN(C)C(=O)COC(=O)/C=C/c1ccc(I)o1 10795043 OQYQKBGMBYNUHO-GQCTYLIASA-N 349.124 1.529 0 40 EDAB COC(=O)CNC(=O)c1cc(=O)c(OCc2ccccc2F)co1 36364877 WDRTWWIICAWNGZ-UHFFFAOYSA-N 335.287 1.261 0 40 EDAB C[C@@H](c1ccccc1F)n1cc(C(=O)NCCN2CCCC2)nn1 4985981 PWNRYRZUWPKSIB-ZDUSSCGKSA-N 331.395 1.852 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)Cc3ccccn3)CC2)C1=O 108530308 AEMKSCCKNOXLAY-IBGZPJMESA-N 345.443 1.502 0 40 EDAB CCOc1c(Br)cc(CNc2nnnn2C)cc1OC 8253365 BXZPMKHZWYUUDB-UHFFFAOYSA-N 342.197 1.992 0 40 EDAB Cn1cc(CN2CC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cn1 107226533 JTHLGIYEZXSOMJ-GDBMZVCRSA-N 332.383 1.195 0 40 EDAB O=C(CCc1ncc(-c2ccccc2)o1)N[C@H]1CCS(=O)(=O)C1 41018848 MVAVLWBENVSOCL-ZDUSSCGKSA-N 334.397 1.578 0 40 EDAB O=C(Cc1csc(N2CCCC2=O)n1)NC1CCN(C2CC2)CC1 29093123 PWNWAXFNQQJTKB-UHFFFAOYSA-N 348.472 1.555 0 40 EDAB O=C(c1cc2ccccc2[nH]c1=O)N1CCN(c2cnccn2)CC1 11546490 NUTPAVPTLOGMQA-UHFFFAOYSA-N 335.367 1.281 0 40 EDAB Cc1cc2ncn(C[C@H](O)Cn3nnc4ccccc4c3=O)c2cc1C 51265805 POCGJHSNJQPMLC-AWEZNQCLSA-N 349.394 1.819 0 40 EDAB CC(=O)N1c2ccc(S(=O)(=O)[C@@H](C)CC(=O)O)cc2C[C@H]1C 32917658 MHPUYGBLBLYFIU-ZJUUUORDSA-N 325.386 1.621 0 40 EDAB Cc1ccsc1S(=O)(=O)N1CCC2(CC1)CC(=O)N(C)C2 108533265 SFBGPDIQKKQADQ-UHFFFAOYSA-N 328.459 1.690 0 40 EDAB COCCN1CCN(CC(=O)NCc2ccc(C)s2)C[C@H]1C 70008293 NWICELJKYPKMOM-CYBMUJFWSA-N 325.478 1.325 0 40 EDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CO[C@H](O)C(Cl)(Cl)Cl 104346469 LFUCJRTVZWFGKO-XSSZXYGBSA-N 328.579 1.600 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 543801 LKRIAGBFXPHNKT-LBPRGKRZSA-N 343.405 1.043 0 40 EDAB COc1ccc(OC)c(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 11907356 DUTTZIICIMZHOW-CMPLNLGQSA-N 328.415 1.357 0 40 EDAB CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813827 HQGJWFKUAZQJTO-UHFFFAOYSA-N 332.809 1.063 0 40 EDAB CC(C)(C)c1nnnn1CCC(=O)NC(=O)NCc1ccccc1 69592938 ITXFRTCIXKWCKR-UHFFFAOYSA-N 330.392 1.387 0 40 EDAB CCc1ccc(N2C(=O)[C@H]3ON=C(c4cn(C)nc4C)[C@H]3C2=O)cc1 103507255 NPNLRLZERQETBG-ZBFHGGJFSA-N 338.367 1.583 0 40 EDAB O=S(=O)(NCc1ccc(Cn2cncn2)cc1)N1CCCCC1 42677200 DCVPYGULMPVKBJ-UHFFFAOYSA-N 335.433 1.147 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccncc2)n(C)c1 42796960 GWPZSSUAVYCQBL-CQSZACIVSA-N 348.428 1.306 0 40 EDAB COc1cc(F)ccc1NC(=O)CCCN1C(=O)NC(C)(C)C1=O 25310571 HPQKXILIYNHZSI-UHFFFAOYSA-N 337.351 1.883 0 40 EDAB C[C@@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCOCC1 24681918 GCNCYFVRMMQOGO-JTQLQIEISA-N 336.816 1.478 0 40 EDAB Cc1cc(N2CCC[C@@H](OC(=O)C3=NN(C)C(=O)CC3)C2)nc(C)n1 66731060 KQODGYZVVGSDKQ-CYBMUJFWSA-N 345.403 1.214 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 106773396 YVWVZCUJMBRGRU-AVGNSLFASA-N 325.434 1.668 0 40 EDAB CN1N=C(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CCC1=O 55945107 DMBJNVJNOYZTLX-GOEBONIOSA-N 333.363 1.770 0 40 EDAB CC(C)c1nnc(NC(=O)NCC2(C(N)=O)CCOCC2)s1 47390581 VJIFORBLQLPFAX-UHFFFAOYSA-N 327.410 1.065 0 40 EDAB O=C(NCCc1cccc2cccnc12)N[C@@H]1CCS(=O)(=O)C1 47594780 GKVILJZVQHZVEG-CQSZACIVSA-N 333.413 1.264 0 40 EDAB CC(C)CNC(=O)NC(=O)CNc1ccccc1N1CCCC1=O 15361490 LXXHSUAHGJWCKT-UHFFFAOYSA-N 332.404 1.707 0 40 EDAB COC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C)cc1 12449746 IUCOMWSSBKGJNY-UHFFFAOYSA-N 330.340 1.591 0 40 EDAB CC[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCN1C[C@H](C)O 107351221 HNDCOFDKMYNHPH-KBPBESRZSA-N 330.432 1.200 0 40 EDAB CC(=O)N[C@@H](C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)C(C)C 25918846 OOOVFSBZVLLUOU-CXAGYDPISA-N 343.431 1.947 0 40 EDAB C[C@@H]1CN(C(=O)NCc2ccc(CN3CCOCC3)cc2)CCO1 43863865 ZLSMMSLEJQCPNN-OAHLLOKOSA-N 333.432 1.449 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)c2cccnc2)cc1C(N)=O 26760206 YQJHBGWNHRGDRM-SNVBAGLBSA-N 335.385 1.229 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)NCCN2CCOCC2)CC1=O 20371577 ZNNRVNNSLHNSDA-MRXNPFEDSA-N 345.443 1.050 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1 58017189 IBWJFJWJLCECIB-GFCCVEGCSA-N 331.825 1.886 0 40 EDAB Cc1ccc(N)cc1S(=O)(=O)N1CCN(CC(F)(F)F)CC1 12505558 UUSWPGQYRLVQAD-UHFFFAOYSA-N 337.367 1.446 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C3CC3)n[nH]2)CC1 58245466 QPVAQTRKEIFXRT-UHFFFAOYSA-N 326.422 1.287 0 40 EDAB Cc1ccnc2nc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)nn12 58268169 QRECNDYFQHQNIW-NSHDSACASA-N 339.355 1.695 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N3CCOC[C@H]3C)CC2=O)cc1OC 44912252 AYAJZRRTMPIACV-CHWSQXEVSA-N 348.399 1.304 0 40 EDAB C[C@H](NC(=O)OCC(F)(F)F)c1ccc(S(N)(=O)=O)cc1 44980501 YWECKJAVWIVBKG-ZETCQYMHSA-N 326.296 1.684 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 48020719 DAWNWRBBUSGJHT-ZIAGYGMSSA-N 349.431 1.539 0 40 EDAB O=C(NCc1ccc(Cn2ccnc2)cc1)N1CCC[C@@H](CO)C1 48262457 UWHCXNYDVZQXOC-QGZVFWFLSA-N 328.416 1.845 0 40 EDAB COCCN1CCCN(C(=O)c2nn(-c3ccccc3)nc2C)CC1 48251619 RQTPLLOTLXTBPR-UHFFFAOYSA-N 343.431 1.370 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)CCCn1c(=O)oc2ccccc21 48260427 SVBYWXYODKPHCX-CYBMUJFWSA-N 347.415 1.652 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O 24478318 HOWZJHHCANGBCD-UHFFFAOYSA-N 347.419 1.023 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N(C)Cc3nnc4n3CCC4)ccc21 48374933 VWQNGBZGRQHZKQ-UHFFFAOYSA-N 339.399 1.406 0 40 EDAB Cc1ccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1F 67557546 LEGFFNRTIWLMDI-LBPRGKRZSA-N 329.397 1.680 0 40 EDAB NC(=O)[C@@H](NC(=O)CSCC(=O)c1ccccc1)c1ccccc1 69380046 IDQVQRNZMNGYAY-KRWDZBQOSA-N 342.420 1.945 0 40 EDAB O=c1cc(CN2CCN(c3nccs3)CC2)nc2ccccn12 69350086 WDXBGINQIVDJMM-UHFFFAOYSA-N 327.413 1.473 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1cc[nH]c1 68326290 YNTAEAVGZQXFQS-UHFFFAOYSA-N 346.818 1.747 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CC3)CC2)cc1C 12972202 HYJGKUPUPVDFCZ-UHFFFAOYSA-N 337.445 1.482 0 40 EDAB CC(=O)c1cccc(OC[C@H](O)Cn2c(=O)n(C)c3ccccc32)c1 12933525 JZKCPCYLFCOZIR-OAHLLOKOSA-N 340.379 1.983 0 40 EDAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCOCC1 3602490 OAHSTVBSQWCCQU-UHFFFAOYSA-N 349.368 1.416 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)N3C[C@H](C)C[C@@H](C)C3)nn12 8393391 BVIKNKLJSROLED-GHMZBOCLSA-N 331.376 1.094 0 40 EDAB CCCCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(OC)c1 15702654 BPMPFLMMMHDFOB-UHFFFAOYSA-N 338.360 1.487 0 40 EDAB CC(=O)NCCCNC(=O)c1cccn(Cc2cccc(C)c2)c1=O 63722926 WDHNEBJSEPMNPM-UHFFFAOYSA-N 341.411 1.461 0 40 EDAB Cc1c(C(=O)NCCc2ccccc2)cnn1[C@@H]1CCS(=O)(=O)C1 49658127 RBKMMNBACCOLMQ-OAHLLOKOSA-N 347.440 1.524 0 40 EDAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc(CO)cc1 6082284 OGWOIEFUUWDBIN-UHFFFAOYSA-N 325.364 1.921 0 40 EDAB Cc1ccc(N2CCC(C(=O)NCCNc3cnccn3)CC2)nc1 65412686 AJUDGAWMTWEYTH-UHFFFAOYSA-N 340.431 1.625 0 40 EDAB Cc1ccc2c(CN3CCC(C(=O)NCCO)CC3)cc(=O)oc2c1 65474499 QCEAZIXIYADARD-UHFFFAOYSA-N 344.411 1.422 0 40 EDAB COCCN1CCCN(C(=O)N[C@@H]2CCOc3ccccc32)CC1 65440626 XVADNPVKZRYNRE-MRXNPFEDSA-N 333.432 1.874 0 40 EDAB O=C(CNc1cc(-n2cnnn2)ccc1F)NCc1ccccc1 65564955 SYNXKWJLRWTUAJ-UHFFFAOYSA-N 326.335 1.530 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1cnn(-c2ccccc2)n1 65515945 CRPJDKMPNCLHCI-UHFFFAOYSA-N 333.373 1.351 0 40 EDAB Cc1cc(O)c2c(C)c(CC(=O)NC[C@H]3CCCO3)c(=O)oc2c1 5348333 FWEDAOYBVHOQFG-GFCCVEGCSA-N 331.368 1.953 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CCNS(=O)(=O)c2ccc3c(c2)COC3)C1 65622639 WZMKYHADFINYDO-ZIAGYGMSSA-N 338.473 1.973 0 40 EDAB COC[C@@]1(C)NC(=O)N(Cc2nc(-c3ccccc3C)no2)C1=O 66083655 BBTRJDMSCFKTTJ-MRXNPFEDSA-N 330.344 1.502 0 40 EDAB COC(=O)c1ccc(NCc2ccc(C(=O)NC3CC3)cc2)nn1 66387175 LXJGTKWPDLYKNR-UHFFFAOYSA-N 326.356 1.768 0 40 EDAB CCS(=O)(=O)N(C)C1CCN(C(=O)Cc2cccc(F)c2)CC1 66843517 QSUZARISGQKJPF-UHFFFAOYSA-N 342.436 1.641 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1 16729283 GHMNIAMXDWMRKT-UHFFFAOYSA-N 348.380 1.035 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 6850193 DZAMZNGZOAKCEY-UHFFFAOYSA-N 347.234 1.302 0 40 EDAB Cc1nc2c(c(C)c1CC(=O)N(C)Cc1ccccn1)c(=O)[nH]n2C 69701879 CLNMQMUZPJAIHV-UHFFFAOYSA-N 339.399 1.475 0 40 EDAB NC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)c1 8767083 ACRUPFLHCGZQCX-HNNXBMFYSA-N 336.355 1.195 0 40 EDAB O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1ccccc1N1CCC[C@H]12 8741379 WROCESJQAWDQLC-KBXCAEBGSA-N 341.436 1.604 0 40 EDAB COc1ccc(CCNC(=O)[C@@H](C)OC(=O)c2cc(C)no2)cc1 18598014 WKRQZQAIPHOQMW-GFCCVEGCSA-N 332.356 1.896 0 40 EDAB COc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCCCC3)N2)cc1 9484136 LBMFNEUCYOIZAU-CQSZACIVSA-N 330.388 1.364 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C)n(CC)c2C)C1 92771701 BPCMTAMUPWPDNQ-CYBMUJFWSA-N 327.450 1.279 0 40 EDAB COC(=O)c1cc(C(=O)NCC(F)(F)F)n(-c2ccccc2)n1 71185694 USDVDKQVWJLUQG-UHFFFAOYSA-N 327.262 1.951 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1F 9053696 APHICDDSLCCAEY-LLVKDONJSA-N 334.800 1.720 0 40 EDAB COC(=O)Cc1csc(NC(=O)COC(=O)c2cccs2)n1 9578352 VWIAHQDAZTYODP-UHFFFAOYSA-N 340.382 1.716 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 71328974 KRVHHBFEEKZFCG-RHSMWYFYSA-N 327.388 1.430 0 40 EDAB COc1cccc(Cc2nnc(NC(=O)c3ccc(O)nn3)s2)c1 71885817 JFNWNBFFOXHEFJ-UHFFFAOYSA-N 343.368 1.885 0 40 EDAB O=C(OC[C@H]1CCCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 71800779 QKZTXCJCZBBEHW-GXTWGEPZSA-N 347.367 1.881 0 40 EDAB Cc1ccc(CNC(=O)CN2CCN(C[C@@H](C)O)[C@H](C)C2)s1 71864555 KOFKRHOFQNPBTA-CHWSQXEVSA-N 325.478 1.060 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)C[C@H]1C 71864373 VJOPOPWCDPIDPF-CHWSQXEVSA-N 338.452 1.298 0 40 EDAB COCCN(Cc1cccnc1)C(=O)[C@H]1CCCN1C(=O)C1CC1 71888874 JVXQCYZMDPFJSC-MRXNPFEDSA-N 331.416 1.458 0 40 EDAB NC(=O)COc1ccc(/C=C/C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 71821202 CKUYWAJVXHLDSU-NGXUEJOTSA-N 344.411 1.734 0 40 EDAB C[C@@H](CNC(=O)c1ccc(-c2cnco2)cc1)CN1CCN(C)CC1 71853884 VLZWDAZTPQPLRJ-HNNXBMFYSA-N 342.443 1.955 0 40 EDAB NNc1ccc(S(=O)(=O)N2CCc3ccccc3C2)c(Cl)n1 96511531 OIPRXBVAMMMMES-UHFFFAOYSA-N 338.820 1.768 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CC)c1noc(C)n1 87140877 PVTLWHRLNVLRSQ-QWRGUYRKSA-N 333.396 1.817 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC[C@H]3CCCO3)c(C)c12 84005168 GNKDLOQVVZOPEB-CYBMUJFWSA-N 346.431 1.496 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)ccc1=O 72282990 BKHJMHNJWDAONK-ZDUSSCGKSA-N 330.388 1.238 0 40 EDAB CN1C(=O)C[C@H](C(=O)N[C@@H]2CCc3nccn3C2)[C@H]1c1ccccc1 72281450 GJGDOHYADVPDGT-RVKKMQEKSA-N 338.411 1.534 0 40 EDAB NC(=O)c1cccc(CNC(=O)NCCOc2ccc(F)cc2F)c1 72270082 VVMBFQVJKJUOHH-UHFFFAOYSA-N 349.337 1.942 0 40 EDAB CN(Cc1ccco1)C(=O)CNC[C@@H]1CCCN1c1cccnn1 72267401 DYWBBUWSWUOTKC-AWEZNQCLSA-N 329.404 1.287 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N(C)C)nc2)cc1 72275922 MDHIUHVUUCJVOY-UHFFFAOYSA-N 334.401 1.907 0 40 EDAB CN(C)c1nc(CN2CCOC[C@H]2CC(=O)c2ccco2)ns1 97103301 WHDMDMZBJDNGDU-LLVKDONJSA-N 336.417 1.671 0 40 EDAB C[C@H](CCNC(=O)N1CCCN(c2ccccn2)CC1)[S@](C)=O 97138051 DJTHWTKNPRBROO-QKFKETGDSA-N 338.477 1.460 0 40 EDAB O=C(OCc1nnnn1-c1ccccc1)c1c[nH]c(=O)c(Cl)c1 89857533 MMOQNLSOBXWCLQ-UHFFFAOYSA-N 331.719 1.361 0 40 EDAB CCN1CCN([C@@H](C)CNC(=O)NCCc2csc(C)n2)CC1 89977297 AEXLDAVSKUKEQY-ZDUSSCGKSA-N 339.509 1.319 0 40 EDAB C[C@H]1CN(CCNC(=O)c2[nH]ncc2Br)C[C@@H](C)O1 95395198 MWLSSLHGAQYILH-DTORHVGOSA-N 331.214 1.011 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCN(c3nccs3)[C@H](C)C2)no1 95351830 ZICQNYOBYNWMKG-ZYHUDNBSSA-N 335.433 1.977 0 40 EDAB CN1CC[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1=O 95421928 RVBSXHJOILXPJX-NEPJUHHUSA-N 329.322 1.690 0 40 EDAB Cc1cc(C(F)(F)F)nc(N2CC[C@@H](CN3CCOCC3)C2)n1 95469203 GYFCYMYIDGJDKC-LBPRGKRZSA-N 330.354 1.962 0 40 EDAB CN(CC(=O)N1CCC(N(C)CCCO)CC1)Cc1ccccc1 95443690 OPRNTXRXOUMIAW-UHFFFAOYSA-N 333.476 1.424 0 40 EDAB O=C(Cn1cc(-c2ccccc2)ncc1=O)NCCc1ccc(O)cc1 95473744 HWBBGMMIMOZQOQ-UHFFFAOYSA-N 349.390 1.975 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cc1 75602499 WJTNHVQGMLJUHG-HNNXBMFYSA-N 348.428 1.300 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN(C)Cc2cnc(C)cn2)cc1 76089703 UOQLJQFMERUZNK-UHFFFAOYSA-N 334.445 1.504 0 40 EDAB Cc1nc(C)c(CCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c(=O)[nH]1 74162826 GZJUUJQMSMBUKM-UHFFFAOYSA-N 328.328 1.393 0 40 EDAB C[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 76058182 HEOOEPHSCOLGMK-WFASDCNBSA-N 337.445 1.042 0 40 EDAB CC(C)[C@@H](O)C1(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 95988235 JNVFBVQKGYTOAH-SWLSCSKDSA-N 326.462 1.782 0 40 EDAB CC(C)CCS(=O)(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 95986791 YKVHZUBGJYPOEG-HIFRSBDPSA-N 328.478 1.838 0 40 EDAB CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1nccn(C)c1=O 1548469795 ALVDLSMTENHUKJ-VIFPVBQESA-N 342.325 1.133 0 40 EDAB O=C(NC1CC1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 35315802 WIKVENSOLYIQFL-UHFFFAOYSA-N 331.397 1.452 0 40 EDAB Cc1cccc(C)c1C(=O)N1CCN([C@@H]2CCNC(=O)CC2)CC1 562639986 SOAPETGYBSGGTP-INIZCTEOSA-N 329.444 1.730 0 40 EDAB C[C@H](CN(C)C(=O)Cc1ccc(Br)s1)c1nnn[nH]1 187313967 BTADNJVLGQPUMU-SSDOTTSWSA-N 344.238 1.828 0 40 EDAB COc1cccc(NC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)c1 78556419 KPTBNKVZKWNKTC-UHFFFAOYSA-N 345.399 1.247 0 40 EDAB CCOc1ccccc1[C@@H]1NC(=O)N[C@@](O)(C(F)(F)F)[C@H]1C(C)=O 35025977 FUISURMLOMPFRD-OBJOEFQTSA-N 346.305 1.895 0 40 EDAB COCCNC(=O)CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 76955746 RHIBZGFKYOHBKB-ZJUUUORDSA-N 328.771 1.461 0 40 EDAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(C[C@@H]2CCOC2)C3)C1 72335611 JBEDGBCEBIPOIS-KGLIPLIRSA-N 332.448 1.401 0 40 EDAB O=C(Cc1noc(C(=O)NCc2cccnc2)n1)Nc1ccccc1 31818914 YAEUAFARXALWRA-UHFFFAOYSA-N 337.339 1.576 0 40 EDAB CC(C)(C)OC(=O)NC[C@H]1CCN(CC(=O)NCc2ccco2)C1 78393995 SBIXRCGLLMQVIA-CYBMUJFWSA-N 337.420 1.742 0 40 EDAB CN1CCN(C(=O)C2CCC2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 72378184 ULLQEKBDANJLNC-AWEZNQCLSA-N 331.464 1.275 0 40 EDAB COc1ccc(CCNC(=O)c2nc(-c3cnccn3)no2)cc1 44122398 QLVKUPGJAUZQEH-UHFFFAOYSA-N 325.328 1.508 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1 49736908 JJIKANSEBXVAFL-QGZVFWFLSA-N 339.505 1.545 0 40 EDAB NC(=O)C1CCN(C(=O)c2cc3cccc(Cl)c3oc2=O)CC1 226040265 UKSQZBQSONGANJ-UHFFFAOYSA-N 334.759 1.784 0 40 EDAB COc1cncc(S(=O)(=O)N2CC[C@@](C(=O)O)(C(C)C)C2)c1 519829847 YDZARHMXLDPZDG-AWEZNQCLSA-N 328.390 1.212 0 40 EDAB CC[C@@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1 225954516 BWPMUVLGYRJVGC-BXUZGUMPSA-N 328.434 1.590 0 40 EDAB COc1ccccc1OCc1cn(CC(=O)NC[C@@H]2CCCO2)nn1 227160710 XUADRFWATDTVAC-AWEZNQCLSA-N 346.387 1.161 0 40 EDAB CCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3OC)C[C@@]23C=C[C@H]1O3 229847362 RKTXWYRYYFZZSC-OLMMMNRUSA-N 343.379 1.935 0 40 EDAB O=C(N1CCCC1)N1CCC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96048425 OXYJGIMTJFHRCX-YOEHRIQHSA-N 331.420 1.728 0 40 EDAB CN(C)CCOCc1cncc2c1CCN(C(=O)[C@H]1CCCO1)C2 96189353 XOMTZYAQMRUFME-QGZVFWFLSA-N 333.432 1.224 0 40 EDAB CO[C@@H]1CC[C@H]2OCCN(Cc3nc(N)c4ccccc4n3)[C@@H]2C1 96501527 LVIOTYBEAHWZSW-DAXOMENPSA-N 328.416 1.980 0 40 EDAB O=C(C1CC=CC1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccncc1 96070093 MVUMGUFZWOBZHL-MOPGFXCFSA-N 341.455 1.892 0 40 EDAB CC(=O)N[C@@H]1CCCN(CCCS(=O)(=O)c2cccc(C)c2)C1 97379245 CHCHZZPPOHLBGK-MRXNPFEDSA-N 338.473 1.759 0 40 EDAB C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C1CCOCC1 96070143 LIYCQQVVVFXNEF-OAHLLOKOSA-N 333.480 1.186 0 40 EDAB C[C@H](Cn1cccn1)Nc1ccc(CC(=O)N2CCOCC2)cc1 97095506 KYLIZOJTYBCXMQ-OAHLLOKOSA-N 328.416 1.785 0 40 EDAB CCN1CCN(C(=O)CN2C(=O)CC(C)(C)c3ccccc32)CC1 96183217 RIEWWIAVLHNKBR-UHFFFAOYSA-N 329.444 1.865 0 40 EDAB COC[C@H]1CC2(CCN(Cc3ccco3)CC2)CN1S(C)(=O)=O 96216898 JQHDVINLPZTNRR-CQSZACIVSA-N 342.461 1.542 0 40 EDAB COc1cc(N2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)ncn1 96199922 RGJABSXKMSAQKB-CQSZACIVSA-N 339.399 1.523 0 40 EDAB CCn1cc(Br)c(=O)c(NC(=O)[C@H]2CCO[C@H]2C)c1 97374320 COVCAYDRZHFLNY-IUCAKERBSA-N 329.194 1.994 0 40 EDAB O=C(c1ccoc1)N1CCC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 96048366 GMFHRPKMJHWSNX-PBHICJAKSA-N 328.372 1.945 0 40 EDAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1ccnnc1)[C@H]2C 96087584 GRKPHSPDWZUHIU-ZDUSSCGKSA-N 328.420 1.730 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCC2(CCN(C(=O)c3cnccn3)CC2)O1 96061201 VEVYCPXMLPUPNQ-HNNXBMFYSA-N 344.415 1.157 0 40 EDAB C[C@@H](O)C(=O)NCCCCN1CCCN(C(=O)OC(C)(C)C)CC1 585087630 WZTJTTVKVYTHDH-CQSZACIVSA-N 343.468 1.206 0 40 EDAB Cn1cnc(S(=O)(=O)N2C[C@H]3[C@@H](Oc4ccccc4)CC[C@H]3C2)c1 257206718 BEQWUXPGAMLWOX-IMJJTQAJSA-N 347.440 1.898 0 40 EDAB CNc1cnc(C[C@H]2COCCN(C(=O)c3cscn3)C2)cn1 257274523 NLKURUBHFIDLPN-LLVKDONJSA-N 333.417 1.306 0 40 EDAB CN(CC(=O)N1CCOC[C@@H]1CCc1cnccn1)C1CCCC1 257291604 QHUQIXAJAQDTIL-KRWDZBQOSA-N 332.448 1.511 0 40 EDAB N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)Cn2nnc3ccccc32)C1 583619885 VMCDRTRRVJULQU-BXKDBHETSA-N 327.310 1.312 0 40 EDAB O=S(=O)(N1CCOCC1)N1Cc2nccn2C[C@H]1c1ccccc1 257237390 HGGGMPXLEUVZNN-HNNXBMFYSA-N 348.428 1.017 0 40 EDAB O=C(NCc1nnc2c(O)nccn12)c1ccc(C(F)(F)F)nc1 253404319 QYGIIKTVDGQBJP-UHFFFAOYSA-N 338.249 1.174 0 40 EDAB COc1nc(OC)nc(N2CCN(C)[C@@H](c3ccccc3OC)C2)n1 257262937 LNSBHPPFCVIZJM-CYBMUJFWSA-N 345.403 1.391 0 40 EDAB CC(C)(C)CN1CCC[C@@H](N2CCC(N3CCOCC3)CC2)C1=O 585116034 FAXVYFKDPPVAMF-QGZVFWFLSA-N 337.508 1.820 0 40 EDAB CCn1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)CN(C)C)cn1 585115217 RLPSXQZDWPVMTG-UKRRQHHQSA-N 328.482 1.644 0 40 EDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnn1C 257341107 ZIVPSXJGJJYEOP-JXSMBQFASA-N 330.432 1.814 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2C(=O)C2CCC2)c1 257236669 HDDPSAVVTNWRRR-KRWDZBQOSA-N 343.427 1.578 0 40 EDAB C[C@H](Oc1ccc(C(=O)N2CCNC(=O)C2)cn1)c1ccccc1 40553366 YZKUMCZCRMQCFG-ZDUSSCGKSA-N 325.368 1.794 0 40 EDAB Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)n(C)n1 252498751 RKILSJSIMRYHLH-UHFFFAOYSA-N 348.428 1.765 0 40 EDAB CC(C)(C)CCCCNC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 1615588165 OVPHZYSHFRHHFA-SJCJKPOMSA-N 338.452 1.880 0 40 EDAB Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2c1CCOC2 96103999 ASTYYKMVJRCMEM-UHFFFAOYSA-N 339.351 1.529 0 40 EDAB CSCC(=O)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 575406064 VBSLGVJMJDQCMF-ZDUSSCGKSA-N 331.503 1.879 0 40 EDAB CNc1cnc(C(=O)N2CC[C@](O)(COc3ccc(C)cc3)C2)nc1 585276873 PIRKVEWGTRTIOY-GOSISDBHSA-N 342.399 1.483 0 40 EDAB CNc1ncc(CN2CCC[C@](O)(COc3ccc(F)cc3)C2)cn1 585275307 AFHLUFALSIXBLK-GOSISDBHSA-N 346.406 2.063 0 40 EDAB Cc1cncc(C(=O)N2CCn3cc(C(=O)N(C)C)nc3[C@@H]2C)c1 585096421 NAUQQHSBUXQNQD-LBPRGKRZSA-N 327.388 1.505 0 40 EDAB CC(C)CN1C[C@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@@H]2C1 585106102 LTQNHEYQDNRGIP-HUUCEWRRSA-N 329.448 1.149 0 40 EDAB CO[C@]1(COc2ccccc2)CCN(C(=O)c2cc(C)nc(O)n2)C1 585277914 XOMURAVNCLGABC-GOSISDBHSA-N 343.383 1.801 0 40 EDAB O=C(NCC(F)(F)F)C1=NO[C@@]2(CCCN(c3cnccn3)C2)C1 585101242 PZGMQGABYKZPRM-ZDUSSCGKSA-N 343.309 1.270 0 40 EDAB CC(C)(C)NC(=O)CN1CCC(CNc2nccn3cnnc23)CC1 674330607 UXJBNYOPQIADEI-UHFFFAOYSA-N 345.451 1.163 0 40 EDAB O=C(O)c1cc(Br)ccc1NS(=O)(=O)N1CCCC1 50201021 NBAIKZJFRRHVPA-UHFFFAOYSA-N 349.206 1.900 0 40 EDAB CNC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc(F)cc1 65607467 PKVIMSKTNWULKJ-UHFFFAOYSA-N 338.360 1.995 0 40 EDAB CNC(=O)CCc1cc(C)nc([C@@H]2CCCN2c2cnccn2)n1 72367028 ROPKQFDQGQNGII-AWEZNQCLSA-N 326.404 1.595 0 40 EDAB COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)OCCO2 57087439 BDZBVOUDKFMHBT-UHFFFAOYSA-N 341.385 1.001 0 40 EDAB COc1ccc(C(=O)O[C@H]2CCCCC2=O)cc1S(N)(=O)=O 11105704 DLAMAKUDGRKMHI-NSHDSACASA-N 327.358 1.011 0 40 EDAB O[C@@H]1CN(Cc2ccccc2F)CC[C@H]1NCCCn1ccnc1 12146516 GFQVHYKXWRERRE-QZTJIDSGSA-N 332.423 1.637 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCCCC3)n2)s1 12181749 XRKFQCIMTUJCGM-UHFFFAOYSA-N 332.429 1.875 0 40 EDAB CCn1ccnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 12444596 OTDIUMJTLLBTAL-UHFFFAOYSA-N 332.379 1.770 0 40 EDAB CN(C)CCn1nc([C@H]2CCN(C(=O)C3CC3)C2)c2nccnc21 19583029 BPAJVIMMVHOBLH-ZDUSSCGKSA-N 328.420 1.114 0 40 EDAB Cc1nonc1CN(C)CC(=O)Nc1ccc2c(c1)nc(C)n2C 19658027 ZXIIJRBPXBNLON-UHFFFAOYSA-N 328.376 1.644 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)cc1 151127968 XNZLJHNBJQCZKF-HNNXBMFYSA-N 334.397 1.932 0 40 EDAB O=c1oc2cc(OC[C@@H](O)CN3CCOCC3)ccc2c2c1CCC2 19912323 PZCLEARHRKZHFW-ZDUSSCGKSA-N 345.395 1.354 0 40 EDAB O=S(=O)(CCC(F)(F)F)N1CC[C@H](Oc2ccncn2)C1 575605075 HBDWWSQJOORZQT-VIFPVBQESA-N 325.312 1.212 0 40 EDAB O=C(c1nccc(C(F)(F)F)n1)N1CCN(c2ncccn2)CC1 1888844422 YLMOEKJJIUVLIH-UHFFFAOYSA-N 338.293 1.248 0 40 EDAB COc1ccc2sc(N3CCO[C@@H](C(=O)NC4CC4)C3)nc2c1 1889111341 PKFQVOCANHDRJC-CYBMUJFWSA-N 333.413 1.789 0 40 EDAB C[C@H](C(=O)Nc1ccc(F)cc1)N1CCN(C[C@H]2CCCO2)CC1 22774303 XNEMNMSMVGCIDJ-RHSMWYFYSA-N 335.423 1.949 0 40 EDAB Cn1ncc2c(NCc3ccnc(N4CCOCC4)c3)ncnc21 26717656 CXVKZKFONBRFIM-UHFFFAOYSA-N 325.376 1.207 0 40 EDAB COc1cccc(CC(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c1 1775986184 ZWDODROVOASABN-UHFFFAOYSA-N 344.346 1.042 0 40 EDAB CC(C)N1C[C@@]2(CCN(C(=O)c3ccccc3F)C2)COCC1=O 2037984633 HZWAWJZYBRLISO-SFHVURJKSA-N 334.391 1.925 0 40 EDAB Cn1c(C(=O)N2[C@H]3CC[C@H]2CN(Cc2cccnc2)C3)cccc1=O 1017933850 ZXQZSBZSXMZDEN-HOTGVXAUSA-N 338.411 1.269 0 40 EDAB CC(C)N(C)CC(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 1614930284 YQJQTPKXZAKDRP-ZWKOTPCHSA-N 348.491 1.699 0 40 EDAB O=C(NCc1cncc2c1CCN(C(=O)CCF)C2)c1ccco1 1565552981 FXCYWUIEPDMERA-UHFFFAOYSA-N 331.347 1.849 0 40 EDAB Cc1ccc(C(=O)N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)o1 1565554233 VDRZWYZTOQPQTK-KRWDZBQOSA-N 328.372 1.591 0 40 EDAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)COCC3 4771289 LIQDHAAHODHROL-UHFFFAOYSA-N 345.786 1.889 0 40 EDAB COc1cccc(C(=O)N2CC(Cn3nc(C)ccc3=O)C2)c1OC 1775967048 CISOXYDORKBHSL-UHFFFAOYSA-N 343.383 1.341 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)Cc2ccccc2Cl)CC1 43979802 FCBXDHNLIHEKIZ-UHFFFAOYSA-N 344.864 1.670 0 40 EDAB C[C@@H](C(=O)NCc1cccnc1N(C)C)n1nc2c(cc1=O)CCC2 585150588 VOTPSWPBQVSQHL-LBPRGKRZSA-N 341.415 1.070 0 40 EDAB NC(=O)c1cccc(S(=O)(=O)N2C[C@H](c3ccccc3)CC2=O)c1 112145 OKWYDNJTYPQCKN-CQSZACIVSA-N 344.392 1.490 0 40 EDAB aggregator C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)N2)C[C@H](C)O1 15953352 LGJUCTFKIRPRHL-NLVDCGGYSA-N 329.356 1.351 0 40 EDAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)cc1 40488239 WLTFJLKPEPQLDS-INIZCTEOSA-N 340.445 1.799 0 40 EDAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2ccccc2F)n1 2809606 SCCKDFZGMNKFEP-SDSIWUNFSA-N 341.342 1.737 0 40 EDAB COc1ccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)c(O)c1 40513471 RZXJWNQXMCFULP-UHFFFAOYSA-N 345.399 1.964 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1)[S@@](=O)Cc1cccc(C(N)=O)c1 96404356 LNVUFWJLRVCQCT-RKNYENMMSA-N 344.436 1.739 0 40 EDAB CCN(CC)C(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 4984951 INTSGYLFQGTWRH-OAHLLOKOSA-N 329.400 1.506 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 6326736 SEUDYDCEUWMQKK-UHFFFAOYSA-N 342.461 1.914 0 40 EDAB C[C@H]1n2c(=O)c(C(=O)c3nnn[nH]3)c(O)c3cccc(c32)C1(C)C 101492560 BVOPBWCWJQJZPL-SSDOTTSWSA-N 325.328 1.303 0 40 EDAB Cc1cc(OCC(=O)Nc2ccc(NS(C)(=O)=O)cc2)no1 11362784 JYWAYCTUVPRPMT-UHFFFAOYSA-N 325.346 1.372 0 40 EDAB c1ccc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)nc1 100120901 BWTRFFKCJPHNPX-CRAIPNDOSA-N 337.427 1.970 0 40 EDAB Cc1cnc2c(S(=O)(=O)N(C)CC(=O)NC3CC3)cccc2c1 29341038 ALHHCVKICYBCED-UHFFFAOYSA-N 333.413 1.442 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ncc([C@H](N)CC(=O)O)cn2)cc1 8701470 JXPHAJKLAJTNOB-GFCCVEGCSA-N 336.373 1.060 0 40 EDAB COC[C@H](C)NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10334588 YHARGUSHGMPAAO-KBPBESRZSA-N 342.461 1.609 0 40 EDAB O=C1C[C@H](c2ccccc2)N(Cc2nnnn2-c2ccccc2)CCN1 52834824 WSBMOSQYZPAHSX-QGZVFWFLSA-N 348.410 1.726 0 40 EDAB Cc1cccc(C)c1OCCOc1cccc(C(=O)NCC(N)=O)c1 69975796 IHVJJOFMGHUWCH-UHFFFAOYSA-N 342.395 1.976 0 40 EDAB Cn1c(=O)n(CCC(=O)NCc2cn3ccccc3n2)c2ccccc21 23754638 AODAPVZXXDVJPP-UHFFFAOYSA-N 349.394 1.694 0 40 EDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1nccs1 42758961 PHXNITVFTCNPQX-NWDGAFQWSA-N 326.422 1.002 0 40 EDAB O=S(=O)(C[C@@H]1CCOC1)N1CCN(c2ccccc2F)CC1 106447467 QJGSAQWRVNIGMN-CYBMUJFWSA-N 328.409 1.314 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 106648453 DSNFOXLJTBFUJU-JONQDZQNSA-N 335.448 1.056 0 40 EDAB Cc1c(C(=O)NCCS(N)(=O)=O)oc2c1ccc1ccccc12 47554776 QELKWXYBWJYIOK-UHFFFAOYSA-N 332.381 1.913 0 40 EDAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1cc[n+]([O-])cc1 25697503 HTCXZJRVEKAOPS-UHFFFAOYSA-N 326.352 1.913 0 40 EDAB Cc1cccc2c1OCC[C@@H]2NC[C@@H]1CNc2c(C(N)=O)cnn2C1 69969929 UTSHSSZJEIOLGZ-DOMZBBRYSA-N 341.415 1.446 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1Cl)N1CCO[C@H](CN(C)C)C1 69976596 VHJRLJULHJEIBF-DZGCQCFKSA-N 339.867 1.607 0 40 EDAB O=C(NCCNC(=O)C1CC1)Nc1cccc(CN2CCCC2=O)c1 58057302 XMYXLBUSBXGZSR-UHFFFAOYSA-N 344.415 1.457 0 40 EDAB Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c(=O)[nH]1 75118399 SSGAWWJTKZYAOH-UHFFFAOYSA-N 341.411 1.792 0 40 EDAB Cc1ccc2cc(C(=O)NC3CCN(S(C)(=O)=O)CC3)[nH]c2c1 44908133 PHXFADRIYNFDBT-UHFFFAOYSA-N 335.429 1.630 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NCc1ccc(N2CCCC2)nc1 44954247 UVBOFGFWLRNOCN-AWEZNQCLSA-N 328.420 1.766 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(-n3cccn3)cc2)C1 44970550 OXZAYELJYSVJHU-INIZCTEOSA-N 341.415 1.682 0 40 EDAB CN(C)c1cccc(CNC(=O)c2cc3c([nH]c2=O)CCCC3=O)c1 58380886 UHKMFBDWLBPNPZ-UHFFFAOYSA-N 339.395 1.890 0 40 EDAB Cn1cc(CCNC(=O)NCc2ccc(N3CCCC3=O)cc2)cn1 45190002 GGXZUMAERZTTNC-UHFFFAOYSA-N 341.415 1.589 0 40 EDAB COc1cc(CC(=O)OCC(=O)NCC(C)C)cc(OC)c1OC 3263482 LEWQHRLPQGVKPA-UHFFFAOYSA-N 339.388 1.570 0 40 EDAB CCNC(=O)NC(=O)CN1CCC[C@H]1C(=O)OCc1ccccc1 68857307 MAIMCEHXCVMBDI-AWEZNQCLSA-N 333.388 1.040 0 40 EDAB Cc1csc(CNc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)n1 91065475 YITVBBAFWFVUMV-BETUJISGSA-N 349.460 1.896 0 40 EDAB O=C(NCCc1cn2ccccc2n1)c1ccc(Cn2cncn2)cc1 12628016 SHNDQEOZLXYBTK-UHFFFAOYSA-N 346.394 1.947 0 40 EDAB COc1ccc(CCN2CCN(CC(=O)N3CCCCC3)CC2)cc1 48254022 HHHCPNYJVTZUCC-UHFFFAOYSA-N 345.487 1.868 0 40 EDAB C[C@@H](Nc1ncnc2c1cnn2C)c1ccc(S(C)(=O)=O)cc1 12780358 UBYKRNODHRHKRN-SNVBAGLBSA-N 331.401 1.940 0 40 EDAB Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)N1CCc2ccccc2C1 12768877 BBNSVEGHNKVGOR-NSHDSACASA-N 329.356 1.695 0 40 EDAB CCCNc1nnc(S(=O)(=O)Cc2nc(CCC)no2)s1 48353862 GZFDELKGVUIZAM-UHFFFAOYSA-N 331.423 1.669 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)c1cc(C)nc2c1nc1n2CCCCC1 12824038 IQJZVAXIMPXBDX-LBPRGKRZSA-N 343.431 1.721 0 40 EDAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCc1cccs1 12973840 IFJPSRQCDVVZCH-UHFFFAOYSA-N 343.408 1.500 0 40 EDAB C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc(-n2cncn2)cc1 12975487 OGZMTOUDNDSKFP-LLVKDONJSA-N 326.360 1.053 0 40 EDAB CN(CC(=O)NCc1ccco1)C(=O)COc1ccc2c(c1)CCC2 8133461 BNCLRVOLHZWUIP-UHFFFAOYSA-N 342.395 1.922 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccccc1OC 18266144 OLYRCVAUWMSBQB-CYBMUJFWSA-N 342.351 1.560 0 40 EDAB Cc1cn2c(nc1=O)O[C@@H]1C[C@H]2O[C@@H]1COC(=O)c1ccccc1 3894312 WUQUVOAMQGVMKB-MGPQQGTHSA-N 328.324 1.457 0 40 EDAB in-vitro CCc1nnnn1Cc1cc2c(cc1Br)OCCO2 49422967 JDHDPPCJHQCVLB-UHFFFAOYSA-N 325.166 1.818 0 40 EDAB COC(=O)c1ccc(N2CCN(C(=O)c3cc[nH]n3)[C@H](C)C2)cc1 69325012 NKSSESGJCLGUQP-GFCCVEGCSA-N 328.372 1.547 0 40 EDAB O=C(NCC1(O)CCCCC1)N[C@@H]1CCN(c2ccccc2)C1=O 69474878 GDEBRLICYISQCS-OAHLLOKOSA-N 331.416 1.786 0 40 EDAB CCn1ccnc1CN1CCN([C@H](C)C(=O)NC2CCCCC2)CC1 69493017 WKPRMNGJMYVFSO-MRXNPFEDSA-N 347.507 1.858 0 40 EDAB Cc1nc(CN2CCC[C@H](NCc3cccc(C(N)=O)c3)C2)no1 69455686 XWXQTVKBZZENLS-HNNXBMFYSA-N 329.404 1.231 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]12 5076575 KLEYYSKCIOEDSL-WCQYABFASA-N 344.327 1.078 0 40 EDAB C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 8313817 SSTULSIUJKAVOG-VIFPVBQESA-N 344.400 1.474 0 40 EDAB COc1cc(OC)cc(C(=O)NCC(=O)O[C@H]2CCCCC2=O)c1 6151600 PCUUZSMYIPMTKE-HNNXBMFYSA-N 335.356 1.489 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)CC2 65465906 MZOJTVAYYSZLEO-NSHDSACASA-N 332.408 1.331 0 40 EDAB CN1CCc2ncnc(N(C)C[C@@H]3COc4ccccc4O3)c2C1 65474353 OWQDSDJYBHAIKD-CYBMUJFWSA-N 326.400 1.741 0 40 EDAB COC(=O)c1cccc(C(=O)N[C@@H](C(=O)N(C)C)c2ccccc2)n1 65577922 JTNYIHSWTSMSIV-OAHLLOKOSA-N 341.367 1.428 0 40 EDAB Cc1ccc([C@H](CNC(=O)Cc2nc3ncccn3n2)N(C)C)cc1 65564572 MWCOPYGSYKLBPM-HNNXBMFYSA-N 338.415 1.394 0 40 EDAB COc1ccc([C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)O)cc1OC 8700659 SSHWDGQNMYHLBV-STQMWFEESA-N 341.360 1.715 0 40 EDAB CCN(CC)CCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 14140802 ZHCGETOMBYPZDH-UHFFFAOYSA-N 348.472 1.784 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 14159171 LSDLNZAYDFHOPN-ZFWWWQNUSA-N 329.400 1.551 0 40 EDAB COC(=O)CCNC(=O)CN1CCc2[nH]c3ccc(Cl)cc3c2C1 69657580 JEWFSGIXBKKNOH-UHFFFAOYSA-N 349.818 1.859 0 40 EDAB CC(C)NC(=O)NC(=O)CSc1nnnn1-c1cccc(F)c1 5796160 JBFFQOLSSKLJBS-UHFFFAOYSA-N 338.368 1.128 0 40 EDAB CSCC[C@H](NC(=O)C1=NNC(=O)CC1)c1nc2ccccc2[nH]1 5827260 WWASBYSQRZLWPY-LBPRGKRZSA-N 345.428 1.739 0 40 EDAB C[C@@H](CNC(=O)Nc1ncn(Cc2ccccc2)n1)Cn1cccn1 69739592 KBDXXZYZXPNSQB-AWEZNQCLSA-N 339.403 1.981 0 40 EDAB C[C@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)C(=O)NC(N)=O 69739820 HWLIIDIYTYPIFU-LURJTMIESA-N 338.261 1.356 0 40 EDAB CN(C)C(=O)CCS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 69737025 XIDRCSDIRNBXQJ-UHFFFAOYSA-N 339.392 1.405 0 40 EDAB O=C(Nc1cn[nH]c1)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 69738698 GLWBTLNURJXORZ-GFCCVEGCSA-N 349.416 1.385 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1csc(N(C)C(C)=O)n1)CC2 69897535 HFYQRYOBHWCROI-LLVKDONJSA-N 334.449 1.384 0 40 EDAB Cn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccccc1F 7235697 CNHZZAIWXNXHOV-UHFFFAOYSA-N 335.364 1.265 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 80568414 ZPXSPDIYNGKNRI-INIZCTEOSA-N 335.423 1.821 0 40 EDAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@H](C(N)=O)C1 71812675 IFXJQXMPPGYPKZ-JQWIXIFHSA-N 325.359 1.291 0 40 EDAB CN(CC(=O)N(C)c1nccs1)C[C@H]1CCCN1c1cccnn1 71860047 GAZUFTTUQXALEJ-CYBMUJFWSA-N 346.460 1.497 0 40 EDAB Cn1cnc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)n1 93296134 LKAROMLQIPIKJB-OAHLLOKOSA-N 328.420 1.279 0 40 EDAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC[C@@H]1CCCOC1 71821414 TZUOCNTWXLYKDB-ZDUSSCGKSA-N 342.399 1.226 0 40 EDAB O[C@H](CN[C@@H]1CCCN(c2cccnn2)C1)COCc1ccccc1 71876882 FSCRUUYXGYTQDI-QZTJIDSGSA-N 342.443 1.613 0 40 EDAB Cc1nc(C)c(CC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c(=O)[nH]1 71827161 PDEOPOYGKCVBFI-PXAZEXFGSA-N 341.411 1.918 0 40 EDAB CN1CCN(C[C@@H](O)CN(C)c2ccnc(-c3ccccc3)n2)CC1 71894566 LLWJZHJUJLRTGZ-KRWDZBQOSA-N 341.459 1.188 0 40 EDAB C[C@H](c1ccccc1F)N1CCN(C(=O)CCS(C)(=O)=O)CC1 71904800 FCRMPBGOXXXTRT-CYBMUJFWSA-N 342.436 1.466 0 40 EDAB CCNc1nc(S[C@H](C)C(=O)NC(=O)NC)nc2ccccc12 9746320 WDODSKQUJXFBOH-SECBINFHSA-N 333.417 1.998 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNCc2cccc3cn[nH]c23)cc1 84018111 NUQOFOYFQFKGPD-UHFFFAOYSA-N 344.440 1.939 0 40 EDAB CC(=O)N1CCN(Cc2cccc(NC(=O)C3CCCC3)n2)CC1 89882318 ZQUPDAQCPQLXBP-UHFFFAOYSA-N 330.432 1.874 0 40 EDAB CC(=O)N1CCCN([C@@H]2CN(CCn3nc(C)cc3C)C[C@@H]2C)CC1 84104709 YTCBQMAOZHXQDI-HNAYVOBHSA-N 347.507 1.374 0 40 EDAB O=C1NC(=O)[C@H](Cc2nc(-c3cc(Br)cs3)no2)N1 97033734 YDTVKMYHYLPQRA-YFKPBYRVSA-N 343.162 1.311 0 40 EDAB CC(=O)N1CC[C@H](CN(C)S(=O)(=O)Cc2ccc(F)cc2F)C1 97054205 WMHCAACIFVRLRT-GFCCVEGCSA-N 346.399 1.595 0 40 EDAB CNS(=O)(=O)c1cccc([C@H](C)NCc2nnc(C)s2)c1 97033219 NYPMNBFYPBSZGO-VIFPVBQESA-N 326.447 1.605 0 40 EDAB COc1c([C@@H]2CCCN2CC(=O)Nc2cccnc2)c(C)nn1C 72253817 YXRDBKPUUXRMBR-AWEZNQCLSA-N 329.404 1.908 0 40 EDAB CC(C)c1ccc(C(=O)N2CCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)cc1 72274647 XQWPAKUVZHEOEI-UHFFFAOYSA-N 342.399 1.425 0 40 EDAB C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@@H]1Cn1cncn1 72267523 KQVYOBDQZGLMNZ-MAUKXSAKSA-N 339.443 1.716 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NC[C@H](c2ccsc2)N(C)C)C1 89954645 QKPOJFUJSREPKN-LSDHHAIUSA-N 338.477 1.661 0 40 EDAB COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC1Cc2ccccc2C1 97140346 YYAXHDHPNXCWRO-HNNXBMFYSA-N 341.415 1.726 0 40 EDAB Cn1cc([C@H]2OCC[C@@H]2CNCc2ccc(OCC(N)=O)cc2)cn1 84317495 VBWHEWIMKDVSIV-KDOFPFPSSA-N 344.415 1.152 0 40 EDAB C[C@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@@H]1N1CCOCC1 76056905 IEFKDOOOAFXCNZ-YJBOKZPZSA-N 342.443 1.606 0 40 EDAB C[C@H]1CO[C@H](CO)CN1c1ncnc2ccc(Br)cc12 95421450 HKUUZZATBTVFQA-ONGXEEELSA-N 338.205 1.978 0 40 EDAB C[C@@H](C[C@@H](O)c1ccco1)NS(=O)(=O)N(C)C1CCOCC1 95462051 ZUCRXNYAXPOYQS-WCQYABFASA-N 332.422 1.037 0 40 EDAB O=C1[C@H](Nc2nccn3cnnc23)CCN1c1ccc(Cl)cc1 95404354 NVXGSHKPVQDASV-GFCCVEGCSA-N 328.763 1.995 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cccnc3N(C)C)CCO2)n1 78890254 XTXALYRRJQDLND-ZDUSSCGKSA-N 344.419 1.432 0 40 EDAB Cc1c(Br)cccc1C(=O)N1CCN(CCO)CC1 88441780 AUMNDHYMOHDSJR-UHFFFAOYSA-N 327.222 1.508 0 40 EDAB Cc1ccc(Cn2cccc(NC(=O)N3CC[C@H](O)C3)c2=O)cc1 95973976 HNFYSKZSFJLPHO-HNNXBMFYSA-N 327.384 1.804 0 40 EDAB CNC(=O)c1cccc(NC[C@H](O)CN2CCc3ccccc3C2)n1 89392021 GLNTXVXDZPYEJB-INIZCTEOSA-N 340.427 1.272 0 40 EDAB C[C@H](Oc1ccccc1Br)C(=O)NCc1nc[nH]n1 89478734 YCQMZCSQXYRADI-QMMMGPOBSA-N 325.166 1.651 0 40 EDAB C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1noc(-c2ccc(Cl)cc2)n1 79606347 VIIYMGDDGWBYLI-GZMMTYOYSA-N 334.763 1.846 0 40 EDAB NC(=O)C1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 21334697 MVOOAURIZOWOPJ-UHFFFAOYSA-N 327.384 1.998 0 40 EDAB O=C(NC[C@]1(O)CCOC1)c1cc(Br)ccc1Cl 229688820 FIQYIUCHUZWFOF-GFCCVEGCSA-N 334.597 1.984 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1 306135765 PABGPXYPJWPLKM-KBMXLJTQSA-N 343.427 1.475 0 40 EDAB Cc1nn(CCNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c(C)c1Cl 35670949 TUBBNEMNBDXTIE-NEPJUHHUSA-N 325.796 1.937 0 40 EDAB COC[C@@H](C)Nc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)O 217548397 WVBRAXWXNMNKMY-SNVBAGLBSA-N 330.406 1.518 0 40 EDAB C[C@@H]1NCC[C@H]1C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 514601191 FBVTWVSSQLGXFL-USXIJHARSA-N 325.412 1.704 0 40 EDAB COc1ccc(C2(C(=O)NCC3(O)CCOCC3)CCOCC2)cc1 77193465 ZEXIVPIQZIDGPH-UHFFFAOYSA-N 349.427 1.401 0 40 EDAB CN(C)c1cccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 72367551 QHPRTQYXJNSEGZ-CYBMUJFWSA-N 335.433 1.407 0 40 EDAB O=C(NC1CN(C(=O)NCCCc2nc3ccccc3[nH]2)C1)C1CC1 187095854 MWNVETKIDOMEMV-UHFFFAOYSA-N 341.415 1.416 0 40 EDAB NC(=O)c1cnc(C[C@H]2COCCN(C(=O)C3CCCCC3)C2)cn1 72382797 NGWRDCUZFSWTHT-CYBMUJFWSA-N 346.431 1.173 0 40 EDAB O=C(Cn1cccn1)NCCN1Cc2cc(Cl)ccc2OCC1=O 225772159 GXXIADZDJSDQCO-UHFFFAOYSA-N 348.790 1.074 0 40 EDAB CCOc1cc(C(=O)NCc2ccnc(N3CCCC3)c2)ncn1 225533154 VRKORSFKHVMUBW-UHFFFAOYSA-N 327.388 1.801 0 40 EDAB Cc1nn(C)c2cn(CC(=O)Nc3ccn(Cc4ccccc4)n3)nc12 40714988 FAWMGIFFEMYNPN-UHFFFAOYSA-N 349.398 1.962 0 40 EDAB CC(=O)c1ccc(C(=O)NCCn2nnc3ccccc3c2=O)s1 225798201 SUATZJIBOWJOGL-UHFFFAOYSA-N 342.380 1.486 0 40 EDAB CSCC[C@@](C)(O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 75157563 ATRXUKRGJWXZDX-CQSZACIVSA-N 331.459 1.672 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)n1)Nc1cc(F)cc(F)c1 224219675 VDVKXFFWJFAREG-UHFFFAOYSA-N 349.341 1.913 0 40 EDAB Cc1cnc2cc(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)ccn12 574170193 KFWQHBJTCSLPPX-OAHLLOKOSA-N 336.399 1.832 0 40 EDAB O=S(=O)(Cc1nc(C2CC2)no1)c1nnc(-c2ccccc2F)[nH]1 195128597 LMIXUSBQFYPTMF-UHFFFAOYSA-N 349.347 1.845 0 40 EDAB c1cn(C[C@H]2CO[C@@]3(COCCN(Cc4nccs4)C3)C2)cn1 96052061 CVGKIGPOMYYMGB-HOCLYGCPSA-N 334.445 1.647 0 40 EDAB O=C([C@H]1COC[C@H]2CN(C3CCOCC3)C[C@H]21)N1CCC(F)CC1 96040783 ZMMQNQWNVLFZGM-XYPHTWIQSA-N 340.439 1.320 0 40 EDAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1ccnnc1)CC2 96201585 MONAOTLAFDZTKS-ZDUSSCGKSA-N 344.415 1.109 0 40 EDAB c1cnc(N2CC[C@@]3(COCCN(Cc4cccnc4)C3)C2)nc1 96062509 AVOHBPPQSAITEW-SFHVURJKSA-N 325.416 1.601 0 40 EDAB CCNC(=O)NC[C@H]1COCc2nc3cc(NC(C)=O)ccc3n21 96112487 CQDUUUDBVIRTIW-LBPRGKRZSA-N 331.376 1.385 0 40 EDAB biogenic,in-vitro CCN1CCC[C@H]1CNC(=O)CCCn1nnc2ccccc2c1=O 95480644 DEFCEWRZYIVYDY-AWEZNQCLSA-N 343.431 1.172 0 40 EDAB O=C(c1ccoc1)N1Cc2nccn2C[C@H](Cn2ncccc2=O)C1 96188733 IIXHHVUTJRLRNB-ZDUSSCGKSA-N 339.355 1.005 0 40 EDAB COCCN1Cc2ccccc2C2(CCN(C(=O)COC)CC2)C1 96079531 HXPYCIBDISFXOA-UHFFFAOYSA-N 332.444 1.655 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CC(S(=O)(=O)Cc2ccco2)C1 96380351 CYDHLRMUOTUEBR-UHFFFAOYSA-N 337.372 1.787 0 40 EDAB Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(-n2ccnc2)nc1 97379365 PUDKVHASGYMSFN-INIZCTEOSA-N 337.383 1.820 0 40 EDAB Cc1ccc(CN2C[C@@H]3COC[C@@H](C(=O)N4CCOCC4)[C@@H]3C2)cc1 96038597 GWHJQSOMRQZRCS-GUDVDZBRSA-N 344.455 1.548 0 40 EDAB Cc1cc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)[nH]n1 96222621 XEFIPDCJXRFMAN-DYVFJYSZSA-N 343.387 1.351 0 40 EDAB Cc1cnc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NC2CCC2)cn1 96227816 MBWHEMZGRKLMIY-CQSZACIVSA-N 328.416 1.696 0 40 EDAB O=S(=O)(c1cncc(Cl)c1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 583616416 OREHPRFEZBHLTD-MCIONIFRSA-N 346.836 1.286 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)n1 257245404 IPIJJSQCXGAJNE-HNNXBMFYSA-N 339.355 1.581 0 40 EDAB COc1ccccc1Cc1ccc(C(=O)N[C@@H]2CCCNC2=O)cn1 257280494 OLCIGHVWMVMJSW-MRXNPFEDSA-N 339.395 1.689 0 40 EDAB CC[C@H](O)CN(C)[C@H](C)c1ccccc1N1CCCS1(=O)=O 252487873 IDBCMSMLWPEHTL-KGLIPLIRSA-N 326.462 1.990 0 40 EDAB NCc1cccc(-c2cccnc2C(=O)N2CCC[C@H](C(N)=O)C2)c1 257277135 NWOQONVDXREJTO-HNNXBMFYSA-N 338.411 1.545 0 40 EDAB CC(C)n1nccc1C(=O)NC[C@@]1(O)CCN(c2ccc(F)cn2)C1 257329989 XMHVPLMKJXMOPH-KRWDZBQOSA-N 347.394 1.369 0 40 EDAB CC(=O)N1CCO[C@@H](CCc2cc(-c3c(C)noc3C)ncn2)C1 257205243 AYENSXBOYNNMIH-HNNXBMFYSA-N 330.388 1.928 0 40 EDAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCNCC1 257206639 BEIUKXPSQWZTTC-UHFFFAOYSA-N 342.443 1.901 0 40 EDAB Cc1nc2ccccc2n1CC(=O)N1CCO[C@@H](c2cnccn2)C1 257224165 FAODTHPAAYZKKB-QGZVFWFLSA-N 337.383 1.735 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCO[C@@H](CCc2cc(O)ncn2)C1 257285599 PHXMCBVGVIEXJX-AWEZNQCLSA-N 346.387 1.190 0 40 EDAB COC(=O)[C@@]1(NC(=O)[C@H]2CCCO2)CCCN(Cc2ccccc2)C1 584907869 QFDSGLBTJJNHCE-VQIMIIECSA-N 346.427 1.489 0 40 EDAB CN(C[C@@]1(O)CCN(c2ccccn2)C1)C(=O)CCc1cccnc1 257208190 BLCDOMHRHUZBOQ-IBGZPJMESA-N 340.427 1.509 0 40 EDAB Cc1n[nH]c(C)c1-c1cnc(C[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 257308187 TVTDNYRBVGUUQV-ZDUSSCGKSA-N 349.460 1.698 0 40 EDAB O=C(N[C@@H]1CC[C@@H](N2CCN3C(=O)CC[C@@H]3C2)C1)c1cccc(F)n1 585087486 UZDLURPUEJJSNX-MGPQQGTHSA-N 346.406 1.178 0 40 EDAB Cc1nn(C)c(C)c1-c1cnc([C@H]2CCCN(S(C)(=O)=O)C2)cn1 257302137 SBRCHIOLLALFLT-ZDUSSCGKSA-N 349.460 1.633 0 40 EDAB CNS(=O)(=O)Cc1noc([C@@H]2CCCN2Cc2ccccc2)n1 585120459 OKKCUEQMHQWFFE-ZDUSSCGKSA-N 336.417 1.456 0 40 EDAB C[C@@H]1CO[C@H](CO)CN1C[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1 585117282 XIKCUOGMKKVVOH-DFBGVHRSSA-N 340.807 1.747 0 40 EDAB CCC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2nccc(N)n2)c1 585137495 BRPFNIDEGCHAFQ-JTQLQIEISA-N 334.401 1.691 0 40 EDAB COc1ccc([C@H]2CNCCN2C(=O)Cn2nc(C)cc2C)cc1 257273198 NFQABUMVKVOGCE-QGZVFWFLSA-N 328.416 1.682 0 40 EDAB Cc1cc(N)cc([C@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 257241458 HYCDJDGENFYPQN-OAHLLOKOSA-N 332.429 1.880 0 40 EDAB COc1cccc([C@H]2CN(C(=O)c3nccn3C)[C@@H]3CCNC[C@H]23)c1 257323674 WLJHVPUPDOEFOO-BRWVUGGUSA-N 340.427 1.646 0 40 EDAB CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@@](C)(N(C)C)C2)cc1 1615588459 QFKCWFPTZHSGQX-SJLPKXTDSA-N 335.448 1.411 0 40 EDAB CCS(=O)(=O)c1ccccc1CC(=O)N[C@H]1C[C@H](N)C12CCC2 1615555278 PKDLGXZQUXEIKF-GJZGRUSLSA-N 336.457 1.409 0 40 EDAB O=C(CCn1ccnc1)N1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1 585278281 BFZQGVIYCATWTH-WBVHZDCISA-N 331.391 1.864 0 40 EDAB Cc1n[nH]cc1CN1CCOC[C@@](O)(COc2cccc(F)c2)C1 585278105 ZSWFAFOQWHQGHL-QGZVFWFLSA-N 335.379 1.500 0 40 EDAB Cc1cc(=O)n2nc(NC[C@H](CO)Cc3ccc(F)cc3)sc2n1 48331886 ZAZGSQDGVYDRFU-GFCCVEGCSA-N 348.403 1.862 0 40 EDAB Cc1c(C(=O)N[C@H]2CCCCNC2=O)nnn1-c1cccc(Cl)c1 56404530 JIDUNYKQULTFKX-ZDUSSCGKSA-N 347.806 1.628 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(c2ccccc2)=NO1 64316314 AOZGFGSPXNNDSP-IRXDYDNUSA-N 335.363 1.623 0 40 EDAB O=C(Cn1cccc(I)c1=O)NC1CCCC1 585118553 TZABIALWHDZMCY-UHFFFAOYSA-N 346.168 1.512 0 40 EDAB CCN1CC2(CCN(C(=O)c3cnc(C)nc3C)CC2)[C@H]2COC[C@H]21 1615553156 QLQWIBWRQWIYMR-DLBZAZTESA-N 344.459 1.666 0 40 EDAB Cn1nc(C(=O)N(CCO)CCOc2ccccn2)c2c1CCCC2 1615626211 YSKFSETWELEFOA-UHFFFAOYSA-N 344.415 1.207 0 40 EDAB Cc1nccn1-c1ccnc(C(=O)NC[C@@H]2CCCCN2CCO)c1 1615627107 UMAPZAPKNPMHDM-INIZCTEOSA-N 343.431 1.152 0 40 EDAB Cc1ccnn1CCC(=O)NCCc1nc(-c2cccnc2)n[nH]1 12115817 QPCNSTAFVHOYOC-UHFFFAOYSA-N 325.376 1.121 0 40 EDAB C=CCc1cc(/C=C(/C#N)C(=O)N2CCOCC2)cc(OC)c1O 8108867 NWQFWRTYAIDKKW-GDNBJRDFSA-N 328.368 1.895 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc(F)cc2)cc1 3456029 AHKDEHMMQDSMIM-BJMVGYQFSA-N 348.399 1.845 0 40 EDAB CS(=O)(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888864275 FLYJJFYTYRJLFK-GJZGRUSLSA-N 344.440 1.471 0 40 EDAB CC(C)COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)cc1 30333057 BRJYFHIXJXXMQT-OAHLLOKOSA-N 340.445 1.750 0 40 EDAB CCc1cc(C(=O)N2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)no1 2037985078 XDHPDQKDGUIGAY-GOSISDBHSA-N 349.431 1.869 0 40 EDAB CN(C(=O)c1ccccc1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 1565520736 KOBGWLHBFGKYNN-UHFFFAOYSA-N 348.410 1.963 0 40 EDAB COCc1cn([C@H]2CCN(C(=O)Cn3ccc4ccccc43)C2)nn1 1565523523 RACFLPXLJPRTNQ-INIZCTEOSA-N 339.399 1.853 0 40 EDAB CN(C)c1ncnc2c1CCN(C(=O)Cc1ccc(F)cn1)CC2 1565542666 IDVFVWFDOSRBAE-UHFFFAOYSA-N 329.379 1.247 0 40 EDAB Cc1cc(-c2noc(CNC(=O)COCc3ccccc3)n2)no1 245171848 XYEJWVXGDQJBIU-UHFFFAOYSA-N 328.328 1.866 0 40 EDAB COc1cccc(N2CCN(c3ncnc4ncn(C)c34)CC2)n1 2298067087 CDBBLIBKPRXJRV-UHFFFAOYSA-N 325.376 1.094 0 40 EDAB O=C1Cc2cc(S(=O)(=O)N3CCOc4ccccc43)ccc2N1 30581669 GWXGGWFOBLBJMY-UHFFFAOYSA-N 330.365 1.769 0 40 EDAB Cc1nc2ccccc2c(C)c1CC(=O)OCC(=O)N1CCOCC1 11196385 PWSNXKVYNZHPMX-UHFFFAOYSA-N 342.395 1.796 0 40 EDAB O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)Nn1cnnc1 2766649 UECGJBYZEKDQLE-UHFFFAOYSA-N 334.689 1.795 0 40 EDAB CC[C@](C)(CNC(=O)c1c(C)nsc1NC)N1CCOCC1 31925146 CAGGELNMTJBFLP-OAHLLOKOSA-N 326.466 1.724 0 40 EDAB Cc1cc(O)c2c(C)c(CC(=O)N3CCN(C)CC3)c(=O)oc2c1 20624003 RGOCVLCORIJLIB-UHFFFAOYSA-N 330.384 1.432 0 40 EDAB COc1cc(C)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 6825499 IOCJJMALADKFPX-UHFFFAOYSA-N 334.397 1.611 0 40 EDAB CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100745416 GZYUXKVCNFJXRU-JYJNAYRXSA-N 345.443 1.345 0 40 EDAB COc1cc(NC(=O)c2ccc(=O)[nH]n2)ccc1N1CCCC1=O 11446082 ZWFCDARBSRECRS-UHFFFAOYSA-N 328.328 1.158 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1 287775 HGDSNYCKWLKVMM-UHFFFAOYSA-N 340.401 1.711 0 40 EDAB C[C@@H](Cn1cccn1)NCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 69413700 QVTDNRFDSBTBFL-UONOGXRCSA-N 344.415 1.510 0 40 EDAB O=C1NCCN1C1CCN(Cc2nnc(-c3ccccc3)o2)CC1 52216299 RVKJAKFZOQYOLU-UHFFFAOYSA-N 327.388 1.726 0 40 EDAB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1cc2ccccc2o1 46051535 YZZKQJBOMJHOCT-JKSUJKDBSA-N 344.411 1.900 0 40 EDAB O=C(NC1=NCCS1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795550 XGBZRQAMOIAEOF-ZDUSSCGKSA-N 329.425 1.747 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102402123 FQKBRLJTDBIJPT-OKILXGFUSA-N 344.367 1.587 0 40 EDAB CC(C)N1C[C@@H](C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1=O 69452681 ZAYGEXKXHCNZED-LBPRGKRZSA-N 341.452 1.663 0 40 EDAB NC(=O)Cn1cc(NS(=O)(=O)C2=Cc3ccccc3CC2)cn1 32932363 YBZMFBMCGKNBDS-UHFFFAOYSA-N 332.385 1.097 0 40 EDAB CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 479575 XSSZVJBSWWJCDI-MRXNPFEDSA-N 348.424 1.808 0 40 EDAB Cc1ccc([C@@H](O)CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1 41455988 LDDMYLNBJMWNTB-SJORKVTESA-N 340.427 1.851 0 40 EDAB CC(C)OCc1cccc(CNC(=O)NC[C@@H]2CN(C)CCN2C)c1 75137130 URGDQVCCWOHTOO-GOSISDBHSA-N 348.491 1.657 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCOc2ccccc21 23887244 JPZZLBKBTIQDAB-KGLIPLIRSA-N 338.429 1.441 0 40 EDAB O=C(CCn1cccn1)N1CCC[C@@H]1c1nnc2n1CCCCC2 42749633 PNSPAJGGYXLPMP-CQSZACIVSA-N 328.420 1.955 0 40 EDAB CCC[C@H](C)N1C[C@H](C(=O)NCc2cn3ccccc3n2)CC1=O 54831092 FVQGKQXLRXITGT-UONOGXRCSA-N 328.416 1.988 0 40 EDAB COc1ccc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1F 24736733 HGKBBZHKHOZAIL-UHFFFAOYSA-N 348.330 1.750 0 40 EDAB COc1cccc(NC(=O)C[C@H](CN2CCC(O)CC2)C(=O)O)c1 61721614 OVCMOFMNBYFJSA-GFCCVEGCSA-N 336.388 1.181 0 40 EDAB COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 3189699 NLDIBEIDOIFEEH-VIFPVBQESA-N 327.387 1.017 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 25325628 QIPGZPIXUPZNDP-AWEZNQCLSA-N 330.388 1.524 0 40 EDAB COc1cc(N2CCN(C(=O)Cc3cccs3)CC2)nc(C)n1 56900967 PAJIHHZIECCSDV-UHFFFAOYSA-N 332.429 1.746 0 40 EDAB CC[C@@H]1CN(Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)CCO1 26130285 SYAVZTZRUITODG-GFCCVEGCSA-N 331.372 1.321 0 40 EDAB O=C(NCC1CCC1)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F 26145107 AZUKPMPGLVIUOK-UHFFFAOYSA-N 341.293 1.504 0 40 EDAB O=c1c2ccccc2cnn1CN1CCN(c2ccccc2O)CC1 12563007 DHUWODCCQHNHMR-UHFFFAOYSA-N 336.395 1.882 0 40 EDAB CCc1ccc(S(=O)(=O)NCCNC(=O)c2ccoc2)s1 57008991 ZEFVOVSJTWUYNS-UHFFFAOYSA-N 328.415 1.612 0 40 EDAB CCS(=O)(=O)CC(=O)N1CCn2cccc2[C@H]1c1ccccc1 57259506 SDWJNFNWYUUHHE-QGZVFWFLSA-N 332.425 1.854 0 40 EDAB O=C1NCCN(C[C@@H](O)COCc2cccs2)[C@H]1c1ccccc1 108126062 QRLFYWBNAQIKEQ-WBVHZDCISA-N 346.452 1.799 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)N1CCc2ccccc2C1 57364075 PKRUMQVAAKTYCK-UHFFFAOYSA-N 337.427 1.184 0 40 EDAB CC(=O)N1CCC(NC2(Cc3cc(CC(C)C)on3)COC2)CC1 67898198 IPYRQSUAIKHRQT-UHFFFAOYSA-N 335.448 1.785 0 40 EDAB biogenic,in-vitro CCN(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C1CC1 44545505 ORGJRNGIDQANMZ-GOSISDBHSA-N 327.384 1.391 0 40 EDAB COc1ccc([C@@H]2SCC(=O)N2Nc2nc(C)cc(=O)[nH]2)cc1 27526245 FLMQBXQMQKLIQW-AWEZNQCLSA-N 332.385 1.688 0 40 EDAB CC(C)NC(=O)Nc1ccc(C(=O)N(C)CC(=O)NC2CC2)cc1 58182017 XVPCOKMUKRQDKX-UHFFFAOYSA-N 332.404 1.567 0 40 EDAB CN(Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)c1ccccc1 58155482 UORZFUAVGAYLAH-UHFFFAOYSA-N 343.412 1.702 0 40 EDAB CCNC(=O)NC(=O)CN(Cc1cc(OC)ccc1OC)C1CC1 27603567 BMDVWOLOGBCBRP-UHFFFAOYSA-N 335.404 1.514 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)c1ccccn1 58201165 XEXZONHIPMJYNE-UHFFFAOYSA-N 338.411 1.550 0 40 EDAB CCN1C[C@@H](C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1=O 58217951 ZUUWUKFXCPCOSD-ZDUSSCGKSA-N 330.363 1.496 0 40 EDAB C[C@H]1CN(C(=O)c2cc(Cl)ccc2NS(C)(=O)=O)C[C@@H](C)O1 58357701 NEHYUAHQWYZEKY-AOOOYVTPSA-N 346.836 1.961 0 40 EDAB CCN1C[C@H](C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)CC1=O 58306320 NDQAMSWEUAUEKY-CQSZACIVSA-N 344.390 1.804 0 40 EDAB COc1ccccc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)cn1 58367049 PUTDIUXAOUYPDR-UHFFFAOYSA-N 349.412 1.658 0 40 EDAB Cn1c(=O)c2cc(NC(=O)NCc3cccs3)cnc2n(C)c1=O 58393812 QADKAQMKZUHWFC-UHFFFAOYSA-N 345.384 1.015 0 40 EDAB CCOC(=O)CCCNC(=O)COC(=O)c1ccc(Cl)cc1 3299881 NPMSDFGKBNPUFG-UHFFFAOYSA-N 327.764 1.956 0 40 EDAB CCCCn1nnnc1CN1CCN(C(=O)c2ccccc2)CC1 48231849 AHDJFMANVLLUIW-UHFFFAOYSA-N 328.420 1.431 0 40 EDAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3cccnc3)CC2)cc1 12784495 SNQKWSSTVXGHSF-UHFFFAOYSA-N 338.411 1.787 0 40 EDAB C[C@@H](NC1CCN(CC(=O)N(C)C)CC1)c1nc2ccccc2n1C 91336313 BDBMNDFRUGJTNW-CQSZACIVSA-N 343.475 1.777 0 40 EDAB CNC(=O)C1CCN(Cc2nc(O)c3cc(Cl)ccc3n2)CC1 12847103 MAHPJNKEVKQMQM-UHFFFAOYSA-N 334.807 1.947 0 40 EDAB COCCCN1CCCN(C(=O)Nc2cnn(CCOC)c2)CC1 70021898 SHOYAOXHFMJDLZ-UHFFFAOYSA-N 339.440 1.106 0 40 EDAB CSc1nnc(SCC(=O)NC(=O)NCc2ccco2)s1 3552575 VPHARNSDVVXMOK-UHFFFAOYSA-N 344.443 1.971 0 40 EDAB COCCOCCCNCc1c[nH]nc1-c1ccc2c(c1)OCO2 48684767 KAIMLYFWJTYOPV-UHFFFAOYSA-N 333.388 1.948 0 40 EDAB COc1cccc([C@]2(C)NC(=O)N([C@H](C)C(=O)NC3CC3)C2=O)c1 8326880 QBUHBYALKCWECQ-QGHHPUGFSA-N 331.372 1.129 0 40 EDAB O=C1Nc2ccccc2[C@H]1CC(=O)N1CCN(c2ncccn2)CC1 63854108 DUXCBJBFJUZXIB-CQSZACIVSA-N 337.383 1.251 0 40 EDAB CC(C)N(C)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 49574819 IUVXGBNARLOKCG-HNNXBMFYSA-N 342.399 1.498 0 40 EDAB COc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCOCC3)cnc12 13639037 YRXGFLVCXUVGTJ-UHFFFAOYSA-N 328.372 1.219 0 40 EDAB CCN(CC)c1ncc(Cl)c(C(=O)N2CCn3c(C)nnc3C2)n1 69571480 QEHPZMFWYRPFMJ-UHFFFAOYSA-N 349.826 1.532 0 40 EDAB CCNC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(C)C 19077880 LGHDDWFZZDBQAX-LLVKDONJSA-N 342.446 1.130 0 40 EDAB C[C@@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc2c(c1)CCC2 9515794 LVXPRLYXIFQXKT-SNVBAGLBSA-N 326.356 1.732 0 40 EDAB NC(=O)C1(CNC(=O)CCCOc2cccc(F)c2)CCOCC1 65502221 SGWNGMAQZYPZNO-UHFFFAOYSA-N 338.379 1.383 0 40 EDAB CCCOCC(=O)NCCNC(=O)c1cccc(Br)c1 65536511 MGZFKZLFMZGNPM-UHFFFAOYSA-N 343.221 1.722 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCN(C)C(=O)OC 69777935 LFVHIORGZNMIKV-HNNXBMFYSA-N 348.399 1.591 0 40 EDAB CC(=O)NCCC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 65611876 YKUHWVVJGUFRRJ-UHFFFAOYSA-N 341.452 1.856 0 40 EDAB O=C1CCN(C(=O)c2[nH]c3ccccc3c2Br)CCN1 65902196 LJDPVPSJXAMJJZ-UHFFFAOYSA-N 336.189 1.893 0 40 EDAB NC(=O)Cn1cc(NS(=O)(=O)/C=C/c2ccccc2Cl)cn1 66580923 SLWXUNUCEMWSSA-AATRIKPKSA-N 340.792 1.434 0 40 EDAB CCc1nnsc1C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 69929172 GGLDUGOKJWJKNX-GFCCVEGCSA-N 326.466 1.265 0 40 EDAB CC(C)OCCC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 69902621 HMSDVQKPGFGPRC-UHFFFAOYSA-N 348.447 1.052 0 40 EDAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C 71870475 HOHJYMBSMNYMCL-SJORKVTESA-N 342.443 1.956 0 40 EDAB CCc1ccccc1NCCn1cnc2c1c(=O)n(C)c(=O)n2C 9364421 AQXRAKSYNRTOGV-UHFFFAOYSA-N 327.388 1.108 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N1CCc2sccc2[C@H]1C 71803269 INXIVNVLPFBDFB-LLVKDONJSA-N 345.490 1.706 0 40 EDAB CN(Cc1ccc(C(N)=O)cc1)C[C@H]1CCCN1c1cccnn1 71859996 AXTMXFODRVUNQG-MRXNPFEDSA-N 325.416 1.676 0 40 EDAB CN(c1cccnn1)C1CCN(C(=O)CCNCC(F)(F)F)CC1 71871687 GSSGTAVTWGJQQD-UHFFFAOYSA-N 345.369 1.446 0 40 EDAB CNc1cc2c(nn1)CCN(C(=O)c1nn(-c3ccccc3)nc1C)C2 71860132 QSXGJQQKHWBTKA-UHFFFAOYSA-N 349.398 1.606 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3Cc4ccccc4O3)CCO2)n1 83829837 RUSGHDQJLWKXOO-KBPBESRZSA-N 328.372 1.271 0 40 EDAB Cc1nc2ccccc2c(=O)n1CCCC(=O)N1CCN(C)C[C@@H]1C 89729925 CHZVZWLGOROHQS-AWEZNQCLSA-N 342.443 1.648 0 40 EDAB NC(=O)C1(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CCOCC1 72295606 KTWCKFAMUFJQCN-YPMHNXCESA-N 338.354 1.467 0 40 EDAB CC[C@H](C)[C@@H](C(=O)N1CC[C@]2(C1)NC(=O)NC2=O)c1ccccc1 72290678 ZFHXJNOYDTUQIG-WPKBUWHJSA-N 329.400 1.627 0 40 EDAB Cc1nc([C@@H]2CCCN2CCn2cnc3ccsc3c2=O)no1 72299831 WXRWNNACTREGCP-LBPRGKRZSA-N 331.401 1.987 0 40 EDAB CC[C@@H](NC(=O)c1csnn1)[C@H]1CN(Cc2ccccc2)CCO1 89942934 RRPROMFRDPMORY-GDBMZVCRSA-N 346.456 1.948 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)C[C@@H]21 95450576 SKPRRRCAWRPEJB-BFHYXJOUSA-N 345.226 1.568 0 40 EDAB O=C(c1c(Cl)nc2ccccn12)N1CCN([C@H]2CCC[C@H]2O)CC1 78789105 ILZYYEPVECVKJI-QWHCGFSZSA-N 348.834 1.659 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccncc1 78988584 UXBAUMQRVQDHPY-MWLCHTKSSA-N 330.310 1.605 0 40 EDAB CCOc1cc(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)ccn1 78900781 GPUZPOFNGSOYGY-GFCCVEGCSA-N 343.387 1.322 0 40 EDAB CC(=O)N1CCOC[C@H]1C(=O)N[C@@H](C)CCc1ccc(F)c(F)c1 95978665 MCMCQSLMBVDZAQ-ZBEGNZNMSA-N 340.370 1.649 0 40 EDAB C[C@@H](NCC(=O)NC[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 95984186 DPFGQKZVVJJRNZ-VXGBXAGGSA-N 344.864 1.542 0 40 EDAB c1cc2c(cc1OCCN1CCN(C[C@@H]3CCOCO3)CC1)CCC2 95960657 GGIRYNXPTVUVST-FQEVSTJZSA-N 346.471 1.935 0 40 EDAB COCCNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 79075571 CHJOMOGBYHMDPU-NWDGAFQWSA-N 345.440 1.693 0 40 EDAB CC(C)[C@](C)(O)CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 89238432 QIINURSWQMHHRB-VQIMIIECSA-N 347.459 1.884 0 40 EDAB CCc1nc([C@H]2CN(Cc3cn4c(C)cccc4n3)CCO2)n[nH]1 89289847 DWNLFHUSUVMFGT-CQSZACIVSA-N 326.404 1.897 0 40 EDAB NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cn1 79960057 ZQRVXKYDPFHICX-CYBMUJFWSA-N 344.802 1.843 0 40 EDAB Cc1cc(NC(=O)CN2CCN(Cc3ccc(Cl)nc3)CC2)no1 27968161 DVNRTXNESNTOIJ-UHFFFAOYSA-N 349.822 1.788 0 40 EDAB CC(=O)OCCN1CCO[C@@](O)(c2cccc(C(F)(F)F)c2)C1 31771897 DKSHLVKVAOEBPM-CQSZACIVSA-N 333.306 1.746 0 40 EDAB CCN(CC(=O)NCCCOC)S(=O)(=O)c1ccc(C)cc1 39986816 FYYUUELPARLQAA-UHFFFAOYSA-N 328.434 1.158 0 40 EDAB O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCOCC2)o1 35597487 PZMIASSJZLANAC-UHFFFAOYSA-N 343.386 1.009 0 40 EDAB Cc1ccc(CCNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cn1 78988800 QWOYEHIGPBSMAJ-GFCCVEGCSA-N 344.337 1.395 0 40 EDAB CC(C)n1cnc(S(=O)(=O)NC[C@@]2(O)CCCc3occc32)c1 1565522497 JGAJHZSCKGBHQC-HNNXBMFYSA-N 339.417 1.559 0 40 EDAB Cc1nnnn1-c1ccc(F)c(NC(=O)CCOC[C@@H]2CCCO2)c1 78666555 YWGSFHMEMBKUBE-ZDUSSCGKSA-N 349.366 1.634 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CN1CCCNC1=O 77140392 DHSFPXXLDJTSOQ-MRXNPFEDSA-N 344.459 1.525 0 40 EDAB C[C@H]1CC=CC[C@H]1COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 71860624 DPCVJLRPCHPZFT-RYUDHWBXSA-N 343.383 1.391 0 40 EDAB CC[C@@](C)(NC(=O)c1nc(C)n(-c2nnc[nH]2)n1)c1nc(C)cs1 225560397 ZYNXTKLJEBWROH-CQSZACIVSA-N 346.420 1.514 0 40 EDAB CC(C)n1cc(C(=O)N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)cn1 225540569 QJRKYXJSYKECRQ-HNNXBMFYSA-N 347.463 1.090 0 40 EDAB CSc1ncccc1C(=O)N1CCCC[C@@H]1c1cc(C(N)=O)[nH]n1 225557486 FHGOUAUQYATXQE-CYBMUJFWSA-N 345.428 1.993 0 40 EDAB Cc1ccc(O[C@H]2CCN(C(=O)COCc3ccccc3)C2)nn1 225428907 SZJCDXKMHOKWRB-INIZCTEOSA-N 327.384 1.982 0 40 EDAB O=C(NC[C@H]1CCCN(C(=O)CCc2cccs2)C1)[C@@H]1CCCN1 225481072 QKKZZMRXNOKQAA-ZBFHGGJFSA-N 349.500 1.788 0 40 EDAB C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC=C(c2ccccc2F)CC1 194085083 PEFOMFUFCFYJCX-LBPRGKRZSA-N 340.420 1.721 0 40 EDAB CC1CCN(S(=O)(=O)Nc2ccccc2-c2nnc(O)o2)CC1 332053820 NKOKIVNMFCIQPZ-UHFFFAOYSA-N 338.389 1.831 0 40 EDAB Cn1cc(CN2CCC3(CC2)CCN(C(=O)c2cccnc2)C3)cn1 96046564 JELITLIDQPSZBK-UHFFFAOYSA-N 339.443 1.943 0 40 EDAB c1ccc(COC[C@H]2CN(C[C@@H]3CCOC3)Cc3nccn3C2)nc1 96188136 CIPQPPFWMORJAI-IRXDYDNUSA-N 342.443 1.963 0 40 EDAB CSc1cccc(CN(C)C(=O)C2CCN(CC(N)=O)CC2)c1 91655861 HOVKOTHHQREPSH-UHFFFAOYSA-N 335.473 1.564 0 40 EDAB CCCS(=O)(=O)N1CCO[C@]2(CCCN(c3ccccn3)C2)C1 96226388 HVJANQADHFQKKG-INIZCTEOSA-N 339.461 1.493 0 40 EDAB C[C@@H](C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O)n1cccn1 97231212 MZTUOFJIHHZOOK-ZUZCIYMTSA-N 344.346 1.877 0 40 EDAB CC(C)N(C(=O)Cn1ncn2nccc2c1=O)c1ccc(Cl)cc1 96405687 NKOGDGQTZKRANN-UHFFFAOYSA-N 345.790 1.986 0 40 EDAB Cn1cc(CCCNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cn1 96420518 DIHIJAPACMHNPR-GOSISDBHSA-N 342.443 1.370 0 40 EDAB Cc1csc(CN2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)n1 96206946 PJGLDDVXSXGQOZ-PBHICJAKSA-N 335.473 1.816 0 40 EDAB NC(=O)[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)CCO1 97379101 LBISNXKTOMDLIS-LBPRGKRZSA-N 341.205 1.070 0 40 EDAB COC[C@@H]1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)C1 96427220 GRWNLHXCMLTBAV-MRXNPFEDSA-N 332.448 1.089 0 40 EDAB O=C(C1CCOCC1)N1CCc2ncc(CN3CCCC3)n2CC1 96196878 ZEULFGIUZWSJQZ-UHFFFAOYSA-N 332.448 1.290 0 40 EDAB CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)Nc2cnc(C)nc2C2CC2)C1 581504213 PRSDBUSUXZIUOL-YPMHNXCESA-N 343.391 1.774 0 40 EDAB Cn1ccc(C(=O)N2CCC3(CC2)CO[C@@H](COCC2CC2)C3)n1 96106050 OEOXRYSWZXCTCN-OAHLLOKOSA-N 333.432 1.858 0 40 EDAB COC[C@H]1C(=O)NCC12CCN(C(=O)Cc1ccc(OC)cc1)CC2 96207469 QLLRORFMPYBZCV-INIZCTEOSA-N 346.427 1.239 0 40 EDAB CNC(=O)[C@@H](C)CN(C)Cc1cn(-c2ccc(F)cc2Cl)nn1 96490088 VLDMRBIUBNCOMH-JTQLQIEISA-N 339.802 1.874 0 40 EDAB C[C@H](CCS(C)(=O)=O)NC(=O)NCC1(C)Cc2ccccc2C1 94040705 WMOCCSCVSDQABA-CYBMUJFWSA-N 338.473 1.914 0 40 EDAB NC(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1 96201910 PKJZEZCFGZYGLM-QFBILLFUSA-N 336.395 1.983 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CCN(C(=O)N1CCCC1)C2 96227451 QPQBSVGOVWZDLY-VQIMIIECSA-N 342.443 1.968 0 40 EDAB O=C(NCCN1CCCC1)C1=NO[C@@]2(CCN(Cc3ccoc3)C2)C1 96225570 FIUHZTOPLARMTB-SFHVURJKSA-N 346.431 1.212 0 40 EDAB CO[C@@H]1CCN(C(=O)N2CCCC2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96209321 RYIFLCARAHHHHH-RCCFBDPRSA-N 344.459 1.819 0 40 EDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CN)CO)cc1 242548258 LFYXCTKVCKRHEA-KZNAEPCWSA-N 347.436 1.572 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(c3nc(C)cc(C)n3)CCN2C)c1 248159687 XADIBIMNLHIJMT-QGZVFWFLSA-N 339.443 1.946 0 40 EDAB CN(C)Cc1cc([C@H]2CCCN2C(=O)c2cnc(O)nc2O)ccn1 257252510 JVALICHZEWSBSB-CQSZACIVSA-N 343.387 1.322 0 40 EDAB CO[C@@H]1C[C@H](CN(C)Cc2cnn(C)c2)N(C(=O)OC(C)(C)C)C1 583651478 NMMVTOIBEDAQJA-HUUCEWRRSA-N 338.452 1.876 0 40 EDAB CC(=O)N1C[C@@H](NC(=O)c2cc(C)nc(C)n2)CC[C@H]1C(F)(F)F 583620028 LACQFPRVGBPQHW-AAEUAGOBSA-N 344.337 1.765 0 40 EDAB O=C(CCCN1CCCCCC1)N1CC[C@@](O)(CN2CCCC2)C1 257309909 UCXADTWJGWFXPZ-LJQANCHMSA-N 337.508 1.702 0 40 EDAB CNc1ncccc1CN1CCO[C@H](CCc2ccnc(N)c2)C1 257287995 PSICQRGWQVOOTG-MRXNPFEDSA-N 327.432 1.934 0 40 EDAB COCC(=O)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 257283481 OYNLIZQEGJDNQP-UHFFFAOYSA-N 327.388 1.968 0 40 EDAB CC(=O)N1CCC[C@H](c2cncc(-c3cncc(C(=O)O)c3)n2)C1 257295149 QXEMXCYSVYLMJQ-LBPRGKRZSA-N 326.356 1.963 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@]1(COC)C(=O)O 252514290 BTXAAJYKDNSGIM-GUTXKFCHSA-N 342.369 1.033 0 40 EDAB CC(C)n1ccnc1CN1CCO[C@@H](CCc2cc(O)ncn2)C1 257237191 HFNJKKMKKUVZEX-HNNXBMFYSA-N 331.420 1.793 0 40 EDAB Cc1nccc(C(=O)N2CCOC[C@H]2CCc2nccnc2C)n1 257291843 QIVMQSABHYKVKX-CQSZACIVSA-N 327.388 1.357 0 40 EDAB CN(C)Cc1cnn(-c2ccccc2C(=O)NC2CCN(C)CC2)c1 257322537 WGJRITXCUAZDFH-UHFFFAOYSA-N 341.459 1.758 0 40 EDAB Cc1nccc([C@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 257223872 DZHJLYITJZUNMW-MRXNPFEDSA-N 331.347 1.903 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O)c1cnc(C2CC2)nc1 257294261 QTHCXMGEVFZBCV-RBSFLKMASA-N 327.388 1.435 0 40 EDAB Cn1nccc1C(=O)N1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 257240517 HTWJUVQXUTYMHU-HOTGVXAUSA-N 333.363 1.604 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2sc(C)nc2C)CCO1 257315366 VBAGESCFQCFEJZ-LLVKDONJSA-N 333.417 1.805 0 40 EDAB Cn1ccc(N2CCC[C@@H](NC(=O)NC3CC(F)(F)C3)C2=O)n1 277731710 UNRGMGMSCPJUNU-SNVBAGLBSA-N 327.335 1.012 0 40 EDAB C[C@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)c1cc(C(=O)O)ccc1F 1604690835 BFKMOYZUCBUMCU-WCBMZHEXSA-N 345.348 1.398 0 40 EDAB CCOC(=O)c1nc(CC(F)(F)F)sc1NC(=O)NCCO 1615586372 UMIQWVJQSRXZEL-UHFFFAOYSA-N 341.311 1.538 0 40 EDAB O=C(NCc1ccnc(N2CCCC2)c1)N1CC(O)(C(F)(F)F)C1 1615589632 ZQRXUEPLRHDOEP-UHFFFAOYSA-N 344.337 1.500 0 40 EDAB CCn1cc(CN2CCO[C@](CO)(Cc3ccccc3F)C2)cn1 585275361 DBJBKUPUQVWSFG-GOSISDBHSA-N 333.407 1.848 0 40 EDAB Cc1cc(C)cc(CN2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)c1 585113094 ZQYJJTAZLCEQCB-QGZVFWFLSA-N 348.472 1.606 0 40 EDAB C/C=C/C(=O)O[C@@H]1C=C[C@H](O)[C@@H](OC(C)=O)CCC(=O)O[C@H]1C 585660619 GXBAKQFLYWSOJH-UNDHXBQUSA-N 326.345 1.049 0 40 EDAB biogenic,in-vitro O=C(COc1ccc(-n2cnnn2)cc1)NCC1(c2ccccc2)CC1 42206491 FNNHZMWBCXXLTM-UHFFFAOYSA-N 349.394 1.889 0 40 EDAB CNC(=O)C1CCC(NC(=O)Nc2ccc(-n3cccn3)nc2)CC1 63391499 PGTDYBWIONAOHN-UHFFFAOYSA-N 342.403 1.694 0 40 EDAB CC[C@H](CO)NC(=O)Nc1cccc(NC(=O)OCCOC)c1 71826636 RQLNNSUYTZGLLN-LLVKDONJSA-N 325.365 1.774 0 40 EDAB O=C(c1ccc(N2CCCC2)nc1)N1CCOC2(CCNCC2)C1 1580815720 KVTCLPVIJFGQKY-UHFFFAOYSA-N 330.432 1.276 0 40 EDAB CN1CCO[C@H]2CN(CCOc3ccccc3Br)C[C@@H]21 93793416 AXKFTOBIZKNZTR-ZFWWWQNUSA-N 341.249 1.843 0 40 EDAB CCOC(=O)[C@@H](NCC(=O)N(C)CC(F)(F)F)c1cccc(O)c1 95405732 MECGQOBDYFEXNO-ZDUSSCGKSA-N 348.321 1.607 0 40 EDAB COc1cc(Br)ccc1[C@@H]1NC(=O)[C@H]2COCCN21 97237611 MYILJBKFWWNWRE-ZYHUDNBSSA-N 327.178 1.287 0 40 EDAB NC[C@@H]1CN(C(=O)NCc2ccn(-c3ccc(F)cc3)n2)CCCO1 1614995123 JSIXXUMMBDDPAJ-MRXNPFEDSA-N 347.394 1.271 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC2)OCC(=O)N3C)c2c(C)noc2n1 1615589627 JBSMARUPIUMNFO-UHFFFAOYSA-N 344.371 1.261 0 40 EDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@](C)(O4)[C@@H]3C2=O)c1 5017411 LUPTVSCTZKBZQL-COJSNBRMSA-N 327.336 1.696 0 40 EDAB O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 14189522 MEVHOZVDSGQQFS-UHFFFAOYSA-N 338.360 1.565 0 40 EDAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O 16454985 FETMXOCYGQNFHX-QGZVFWFLSA-N 345.330 1.502 0 40 EDAB CCCNC(=O)CN1CCN(C(=O)Nc2ccccc2OC)CC1 18181809 QCMYDKWJAYLMHB-UHFFFAOYSA-N 334.420 1.371 0 40 EDAB O=C(c1ccncc1)N1CC[C@@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 19340309 FUZIMCSLYHHJHN-OAHLLOKOSA-N 347.378 1.857 0 40 EDAB CN(C)CC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1 19590920 MUVZTYHJLSTZPM-INIZCTEOSA-N 339.399 1.460 0 40 EDAB O=C(CSc1nncc2ccccc12)NCCCN1CCOCC1 19681444 SCGNVZYCPUWYSU-UHFFFAOYSA-N 346.456 1.560 0 40 EDAB Cc1nc(CC(=O)N2CCC[C@]2(C)C(=O)N2CCOCC2)cs1 19746521 PASVSFXEAFASNP-MRXNPFEDSA-N 337.445 1.234 0 40 EDAB O=C([C@H]1CN(c2ncccn2)CCO1)N1CCC2(CCCCC2)C1 19747267 LVHSMRQZLTXEIN-OAHLLOKOSA-N 330.432 1.865 0 40 EDAB Cn1cc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)c(C2CC2)n1 566064559 KZXOSVFGSJHLFV-GFCCVEGCSA-N 345.424 1.598 0 40 EDAB COC(=O)[C@@H]1CN(CC(C)C)C[C@H]1S(=O)(=O)c1ccccc1 19447209 OHILPTHIFOQKFA-HUUCEWRRSA-N 325.430 1.590 0 40 EDAB COC[C@](C)(CNC(=O)C(=O)Nc1cccc(SC)c1)OC 575613607 VEFISYCBUPBOBB-HNNXBMFYSA-N 326.418 1.515 0 40 EDAB O=S(=O)(CCC(F)(F)F)N1CC[C@H](Oc2ncc(F)cn2)C1 390829516 ZMCMWSQYQOCBFP-VIFPVBQESA-N 343.302 1.351 0 40 EDAB Cc1cc(N2CCO[C@H](C(=O)N3CCCCC3)C2)n2nccc2n1 1888854295 WNZZXXMSXSKXNS-AWEZNQCLSA-N 329.404 1.255 0 40 EDAB Cc1ccc(-c2nc(CN3CCN(CC(=O)N(C)C)CC3)cs2)o1 29703848 OSCHOVWNYXHWGK-UHFFFAOYSA-N 348.472 1.917 0 40 EDAB CSc1ccc(CCC(=O)N2CC[C@H](N3C(=O)COC3=O)C2)cc1 238836879 GXRHNSQYUYVWKO-ZDUSSCGKSA-N 348.424 1.921 0 40 EDAB O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1ccc(C(F)(F)F)nc1 238941102 VZQPRSHTOQSURS-JTQLQIEISA-N 338.289 1.471 0 40 EDAB O=C(NCc1nnc2ccc(-c3ccsc3)nn12)[C@@H]1CCOC1 245131270 VLUIQLWBIKRPLX-SNVBAGLBSA-N 329.385 1.506 0 40 EDAB O=C([C@@H]1CN(c2ncncc2F)CCO1)N1CCC(F)(F)CC1 2086921319 VTKXJZNMFAWXHH-NSHDSACASA-N 330.310 1.079 0 40 EDAB COc1cnccc1C(=O)N1C[C@@H]2Cc3nc(N(C)C)ncc3[C@@H]2C1 1565551733 JXHAERMSBSCEBP-SMDDNHRTSA-N 339.399 1.358 0 40 EDAB COCCn1cnc2c(c1=O)OCCN(C(=O)[C@]1(C)CC=CCC1)C2 1565554992 NCSJUJWHCZVIGW-GOSISDBHSA-N 347.415 1.357 0 40 EDAB CC(=O)N[C@]1(C(F)(F)F)NC(=O)N([C@@H](C)c2ccccc2)C1=O 4686614 KPASCKZYGIULJW-SDBXPKJASA-N 329.278 1.694 0 40 EDAB Cn1c(=O)c2c(NC(=O)c3ccc(F)cc3F)ccnc2n(C)c1=O 13011039 TYXBBAKKAYAKNB-UHFFFAOYSA-N 346.293 1.163 0 40 EDAB Cc1noc(CC(=O)N2CCc3onc(CN(C)C(C)C)c3C2)n1 2055717977 QFEAPLHVBXGBJG-UHFFFAOYSA-N 333.392 1.334 0 40 EDAB CN1C[C@@H]2CN(C(=O)c3ncn(C)n3)CC[C@]2(c2ccccc2)C1 2055750615 KCQSPYSJDLZPRP-CRAIPNDOSA-N 325.416 1.161 0 40 EDAB Cc1cc(C)c2sc(NC(=O)CN(C)S(C)(=O)=O)nc2c1 36695503 YHEKKWATQINVBT-UHFFFAOYSA-N 327.431 1.743 0 40 EDAB O=S(=O)(NC[C@@H](c1ccsc1)n1cccn1)c1cccnc1 618255594 GAYMISBJCVYDLG-AWEZNQCLSA-N 334.426 1.908 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 20028534 QBJZWRPRTSABIV-UHFFFAOYSA-N 330.436 1.037 0 40 EDAB CC(C)c1ncc(Cl)c(C(=O)N[C@]2(C(=O)O)CCSC2)n1 50364480 NSGYWSRKKMSRCD-CYBMUJFWSA-N 329.809 1.944 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1ccnc(N2CCCC2)c1 29394491 KGNIZWCXAVEGJR-UHFFFAOYSA-N 336.417 1.765 0 40 EDAB COc1ccccc1CCNC(=O)CN(C)c1ncnc2[nH]cnc12 45978366 YEHOYAXUUCUGBE-UHFFFAOYSA-N 340.387 1.157 0 40 EDAB Cc1cccc([C@@H](CNc2ccc3nnnn3n2)N2CCOCC2)c1 29626697 WGTDSXIUBCKGEI-OAHLLOKOSA-N 339.403 1.313 0 40 EDAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)O)c1ccccc1 2648383 LAVYTSJMFCGHBK-UHFFFAOYSA-N 348.380 1.790 0 40 EDAB CC[C@H](C)[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1Cl)C(=O)O 3205670 BFVLJADCRQKHHY-WRWORJQWSA-N 349.792 1.816 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2F)cc1 3378265 ITORTENRWAVPOB-UHFFFAOYSA-N 336.388 1.375 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@H](n3cncn3)C2)ccc1=O 75583678 AIVVXBWJTFFRGV-ZDUSSCGKSA-N 330.392 1.112 0 40 EDAB CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1 6791433 LAMOFAFAHFQERM-LBPRGKRZSA-N 328.434 1.539 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CN1CSCC1=O)c1ccccc1F 29999838 HZMVQCDOJMQGCL-HNNXBMFYSA-N 348.403 1.298 0 40 EDAB COCCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10358820 IFVWTTKAWKFKAM-UHFFFAOYSA-N 342.461 1.513 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cn(C)nc3C)CC2)cc1 22266776 JDUVDUJKBFUNIQ-UHFFFAOYSA-N 348.472 1.543 0 40 EDAB Cc1cc(CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)no1 22547148 RCQBLTIEGJXNPU-UHFFFAOYSA-N 342.465 1.221 0 40 EDAB C[C@H](C(N)=O)N1CCN(Cc2ccc(Br)s2)CC1 22820377 MQYIJXALYGMWEI-SECBINFHSA-N 332.267 1.502 0 40 EDAB Cc1ccccc1NC(=O)[C@@H](C)N1CCN(CC(=O)NC2CC2)CC1 23253532 RTRZTONKTNBGDH-OAHLLOKOSA-N 344.459 1.218 0 40 EDAB COc1ccc2c(ccn2CCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 12324992 AJIUBGYAQLBPPA-ZDUSSCGKSA-N 336.413 1.343 0 40 EDAB CCn1c(C(=O)N2CCN(CC[S@@](C)=O)CC2)cc2ccccc21 76020367 BRCNKGKCZZQZIX-DEOSSOPVSA-N 347.484 1.798 0 40 EDAB O[C@H]1O[C@@H]2CC[C@H]3[C@@H]4[C@H]5[C@H]([C@@H]1[C@H]1[C@@H]6CC[C@@H]7O[C@H](O)[C@@H]4[C@@H]([C@H]76)[C@@H]15)[C@@H]32 104295070 ZXIFWFADSFFGAB-MAWCMYPASA-N 330.424 1.457 0 40 EDAB C[C@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1)c1ccncc1 106931938 UZROWWSMMMIPKL-MORSLUCNSA-N 339.395 1.857 0 40 EDAB C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc23)C[C@H]1N1CCOCC1 76053391 BTERBUMQBVUGBV-CXAGYDPISA-N 341.411 1.321 0 40 EDAB Cc1cc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)n(C)n1 43435185 ZAYWRPQJSFBEBH-INIZCTEOSA-N 343.431 1.751 0 40 EDAB CN(C[C@@H]1CCCN1c1cccnn1)C[C@@H](O)COc1ccccc1 106840393 DKCBMDHVUWAAEX-DLBZAZTESA-N 342.443 1.817 0 40 EDAB C[C@H]1CCc2ccccc2N1CCC(=O)N[C@H]1CCN(C(N)=O)C1 107147790 RIJKDSMSBFBHBC-ZFWWWQNUSA-N 330.432 1.487 0 40 EDAB Cc1cccc(C)c1OC[C@H](C)NC(=O)CN(C)S(C)(=O)=O 56439001 FLXHRAHFQAARCO-ZDUSSCGKSA-N 328.434 1.078 0 40 EDAB COc1ccccc1CCNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 25815353 ABYHXHQHZOTNDT-GUYCJALGSA-N 334.441 1.808 0 40 EDAB O=C(NCCN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1)C1CCC1 107497672 ZEBMODGFKQBCAV-BHYGNILZSA-N 333.476 1.483 0 40 EDAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CCCO2)C1 57418565 GCWQYIWIJKRKFL-HUUCEWRRSA-N 346.431 1.929 0 40 EDAB Cn1cc(C(=O)C[C@H]2CCCN2[C@@H](C(N)=O)c2ccccc2)cn1 108364659 IYAMVCQHZSKFKP-NVXWUHKLSA-N 326.400 1.684 0 40 EDAB O=C(CN1CCSC1=O)NC1CCN(CC2CCCC2)CC1 58004126 LBQRGEJUSYUIHU-UHFFFAOYSA-N 325.478 1.926 0 40 EDAB C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(-n2cncn2)nc1 58151708 SXLGOXXILXNUKA-GXTWGEPZSA-N 331.376 1.575 0 40 EDAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)NCc1ccco1 3219234 ANWAEVXSIAZELW-UHFFFAOYSA-N 327.292 1.859 0 40 EDAB CN(C)S(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(F)cc1 20245012 JXKYFMXHAQCYRY-UHFFFAOYSA-N 343.424 1.451 0 40 EDAB Cc1cc(Br)ccc1C(=O)NC[C@H]1CN(C)CCO1 58268553 LJNBPMUJRFADLQ-LBPRGKRZSA-N 327.222 1.818 0 40 EDAB CCc1ccc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)s1 44911382 GJWKCSPUELHALP-HIFRSBDPSA-N 338.473 1.778 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)NC[C@@H]2CCCO2)c(C)c1 44948092 IIAYKWASIKXFTG-KBPBESRZSA-N 325.430 1.761 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)NCCCN(C)S(C)(=O)=O 44935319 BEVDYBXSYNIQCF-GFCCVEGCSA-N 325.434 1.429 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1OC 44935933 JFFUGFPZNDSQNW-GFCCVEGCSA-N 339.417 1.576 0 40 EDAB CCCN(CC(=O)NC)C(=O)Cc1cc(=O)oc2cc(OC)ccc12 58356998 OBZLDOSUJGEYCG-UHFFFAOYSA-N 346.383 1.329 0 40 EDAB CS(=O)(=O)Cc1ccc(NC(=O)NCCN2CCCCC2)cc1 58460077 UDFWLRYRSCFGCI-UHFFFAOYSA-N 339.461 1.839 0 40 EDAB CCN(CC)CCNC(=O)CCc1nn(C)c(=O)c2ccccc12 2296788 DRCAKVNCRKWIBD-UHFFFAOYSA-N 330.432 1.324 0 40 EDAB CCOc1c(C(=O)NC)cn(C)c1-c1nc2cc(N)ccc2n1C 36370125 PNHOCXCRJSDFIV-UHFFFAOYSA-N 327.388 1.919 0 40 EDAB biogenic C[C@@]1(c2cccc(Br)c2)NC(=O)N(CCC(N)=O)C1=O 11377005 IPSHVKIQINQKDO-ZDUSSCGKSA-N 340.177 1.092 0 40 EDAB COc1ccc(CCC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 29190354 PHVWLFPOXUDZBL-CQSZACIVSA-N 340.445 1.168 0 40 EDAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1cc2ccccc2oc1=O 3442045 XIUWCXJOBWYIEO-UHFFFAOYSA-N 346.339 1.574 0 40 EDAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NCc1ccncc1 49545286 HPANYAXBHYASNM-UHFFFAOYSA-N 329.404 1.806 0 40 EDAB Cc1cccc(-n2nc(CC(C)C)nc2CC[C@H]2NC(=O)NC2=O)c1 65431140 SPVMKNWCBKGPDG-CQSZACIVSA-N 341.415 1.915 0 40 EDAB Cc1cccc(C)c1OC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 71821167 DKYKERYWEKYBDO-AWEZNQCLSA-N 345.399 1.271 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)N1CCN2CCCC[C@@H]2C1 71839926 AZTLKYYLXUNEHJ-OAHLLOKOSA-N 340.427 1.483 0 40 EDAB COc1ccc(O)c(C(=O)c2cnn(C(=O)CN3CCCC3=O)c2)c1 6600440 NCBAAQARIXPDQJ-UHFFFAOYSA-N 343.339 1.091 0 40 EDAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N(C)Cc1ccoc1 71821455 AUIIQYYIUQIPKX-UHFFFAOYSA-N 338.367 1.934 0 40 EDAB COCCOc1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(C2CC2)C1 66432319 UCQUAIMCUVDBBE-NSHDSACASA-N 336.363 1.800 0 40 EDAB C[C@H](CNC(=O)c1ccc(-c2cnco2)cc1)CN1CCN(C)CC1 71853885 VLZWDAZTPQPLRJ-OAHLLOKOSA-N 342.443 1.955 0 40 EDAB O=C(COC(=O)/C=C/c1ccco1)NCc1ccc2c(c1)OCO2 4966363 MDOKZLWEMONXIG-GQCTYLIASA-N 329.308 1.881 0 40 EDAB Cc1cc(S(C)(=O)=O)c(Br)cc1N1CCNCC1 15443549 LQGLNCQPMBCRAE-UHFFFAOYSA-N 333.251 1.571 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2[C@@H](C)C(=O)NC[C@@H]2CCCO2)c1 71878580 BYYZVOAYJPHTGR-ULQDDVLXSA-N 334.464 1.730 0 40 EDAB CN(C)C(=O)CS(=O)(=O)Cc1ccc(Br)s1 67651294 HSYRSDOAMVUBSX-UHFFFAOYSA-N 326.237 1.514 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccnc(N2CCN(C)CC2)c1 68513485 ZKXMTOIMWFCHJG-HNNXBMFYSA-N 348.447 1.151 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)CN2c3ccccc3C[C@@H]2C)C1 16382017 CNRFNVQCVNOHNL-WMZOPIPTSA-N 345.487 1.911 0 40 EDAB COC(=O)CNC(=O)COc1ncnc2sc3c(c12)CCCC3 8157384 MKGSURHHBQPRFH-UHFFFAOYSA-N 335.385 1.238 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)c3cnc4[nH]nc(C)c4c3)CCO2)n1 83829990 ZFHJSZQYKHWSBV-GFCCVEGCSA-N 341.375 1.161 0 40 EDAB Cc1csc(N2CCN([C@H](C)C(=O)NCC(F)(F)F)CC2)n1 69390297 PBTGLTWCYLNANC-SNVBAGLBSA-N 336.383 1.641 0 40 EDAB Cc1ccc(Cn2nc(C)c(C(=O)NCC(=O)N(C)C)c2C)cc1 8359230 SLUJHVLFFMOTPB-UHFFFAOYSA-N 328.416 1.675 0 40 EDAB CCc1nnc(NC(=O)CS(=O)(=O)NC2CCC(C)CC2)s1 69434059 RXLBAQRHXFIVGM-UHFFFAOYSA-N 346.478 1.537 0 40 EDAB O=C(NCc1ccsc1)N1CCC(C(=O)N2CCOCC2)CC1 69536302 NERRBCFNHNEHEK-UHFFFAOYSA-N 337.445 1.529 0 40 EDAB COC(=O)c1cccc(CCNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1 91704212 TWCZQKIHHVFOHS-BBRMVZONSA-N 345.443 1.940 0 40 EDAB CN(C)S(=O)(=O)CCCS(=O)(=O)Cc1ccc(Cl)cc1 69739874 KYCBZHAYKLQPSQ-UHFFFAOYSA-N 339.866 1.536 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)CCc2cscn2)CC1 69775318 XNIDQYXOZKPVNU-CQSZACIVSA-N 325.478 1.627 0 40 EDAB COC(=O)C[C@H]1CSCCN1C(=O)c1ccc([S@](C)=O)cc1 78869564 WYRZOZARYXOAIC-AMXDTQDGSA-N 341.454 1.545 0 40 EDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N(C)Cc2cnn(C)c2)o1 78879797 XTZKGHMIMDPGDD-CQSZACIVSA-N 338.433 1.835 0 40 EDAB CCc1cnccc1C(=O)N1CCN(C(=O)c2cc(C)no2)CC1 97034956 WZBUTUTWWLUFKR-UHFFFAOYSA-N 328.372 1.539 0 40 EDAB Cc1nc(N2CCOC[C@H]2C(N)=O)c2c(CC(C)C)csc2n1 97049843 FDJRYXIFGRZKKI-LBPRGKRZSA-N 334.445 1.889 0 40 EDAB CCOc1ccccc1NC(=O)NC[C@](C)(O)CN1CCOCC1 72296071 KQASYKGDRRDXAE-KRWDZBQOSA-N 337.420 1.290 0 40 EDAB Cc1cccc(CCNC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)c1 72294514 QMSXPRBBESNVFI-UHFFFAOYSA-N 349.456 1.982 0 40 EDAB CCc1csc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)n1 72285668 AXOKBUOCQCSDDV-OCCSQVGLSA-N 347.444 1.987 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccnc(N3CCCC3)n1)C2 72292198 UHZIIQXRTYVMBF-CYBMUJFWSA-N 326.404 1.327 0 40 EDAB O=C([C@H](c1ccccc1)N1CCn2ccnc2C1)N1CCOCC1 97201539 KKJIAFVMUAFWSP-KRWDZBQOSA-N 326.400 1.299 0 40 EDAB C[C@@H](CNC(=O)C(=O)Nc1cnn(CCN(C)C)c1)c1cccs1 79111343 PXTGIHFFHCRILX-LBPRGKRZSA-N 349.460 1.365 0 40 EDAB Cc1ccc(N2CCC[C@H](NC[C@H](O)COCc3ccco3)C2)nn1 95373342 SMSWZFROWPEWNV-HOTGVXAUSA-N 346.431 1.514 0 40 EDAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1ccco1 95480847 VUECCZWZYPUPDI-OAHLLOKOSA-N 341.367 1.653 0 40 EDAB O=S(=O)(N[C@H](CO)c1ccccc1F)c1cncc(Cl)c1 95437298 FUABATPQWHWDLA-CYBMUJFWSA-N 330.768 1.886 0 40 EDAB Cc1cc2ncn(C[C@H](O)CN(C)S(=O)(=O)C(C)C)c2cc1C 95974697 ARMQOUPOXGSAPV-CQSZACIVSA-N 339.461 1.684 0 40 EDAB Cc1cccc(S(=O)(=O)NC(=O)CCn2cccn2)c1Cl 95991804 GDBLMDJBHYNJDU-UHFFFAOYSA-N 327.793 1.740 0 40 EDAB Cc1ccc([C@H]2CN(C(=O)NCCc3cnn(C)c3C)CCO2)o1 95974310 JEOQYRWSKFWLGP-MRXNPFEDSA-N 332.404 1.956 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1CC(=O)N(C)C 95999817 IATNRZXSBNIKPK-KRWDZBQOSA-N 342.443 1.951 0 40 EDAB CCn1ccnc1CN1CCC[C@@H]([C@@]2(C)NC(=O)N(C(C)C)C2=O)C1 89310004 ZTXDJUNFAROSHM-RDTXWAMCSA-N 347.463 1.834 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 39547157 WXFJCGWPFQAWOG-UHFFFAOYSA-N 333.363 1.649 0 40 EDAB CN1N=C(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)CCC1=O 68142962 QBGULSWIOFYDJE-OAHLLOKOSA-N 343.383 1.329 0 40 EDAB Cc1ncc2n1CC[C@H](C(=O)NCc1ccc3c(c1)C(=O)NCC3)C2 517634992 VRGYNDNQCNQIDJ-HNNXBMFYSA-N 338.411 1.356 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)C1CCN(CC(F)(F)F)CC1)C2 72279133 ASPJQTNZECZAGM-ZDUSSCGKSA-N 344.381 1.897 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3ccn(C(C)C)n3)C2)on1 521395332 FQYCJFXEQUNCHX-CYBMUJFWSA-N 345.403 1.795 0 40 EDAB OC1(c2ccc(Cl)cc2)CCN(c2ccc3nnnn3n2)CC1 524735692 RTRFTCSGKFBEPG-UHFFFAOYSA-N 330.779 1.661 0 40 EDAB C[C@]1(NC(=O)C[C@H]2CCCO2)CCN(C(=O)c2cnc3n2CCC3)C1 1536757128 CFFFNJDWCLPRAP-ACJLOTCBSA-N 346.431 1.119 0 40 EDAB NC[C@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218500230 FFTOTBKRELNJLK-IKGGRYGDSA-N 335.400 1.703 0 40 EDAB O=C(O)c1ccc(NC2CC2)c(S(=O)(=O)NC[C@H]2CCCO2)c1 217497754 RSHRDVOSIJCGIF-GFCCVEGCSA-N 340.401 1.416 0 40 EDAB CCC(C)(C)NS(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1 35315059 KSDVCBONIVBGRZ-UHFFFAOYSA-N 325.394 1.138 0 40 EDAB Cc1ccc(NC(=O)Cn2c(=O)c3nncn3c3ccccc32)cc1 64871386 ZYDXKIGKMDUGQL-UHFFFAOYSA-N 333.351 1.991 0 40 EDAB CC1(c2[nH]ncc2C(N)=O)CCN(C(=O)Cc2ccc(F)cc2)CC1 72388931 PDHMJYYNHJBHCA-UHFFFAOYSA-N 344.390 1.771 0 40 EDAB CCc1nc(CN2CCN(C(=O)/C=C/c3csc(C)n3)CC2)no1 78778029 NTCPFBJENUGGPZ-SNAWJCMRSA-N 347.444 1.755 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)O)C[C@@H]2CCCO2)c1 567793921 JUBAJYQAACFDRK-AWEZNQCLSA-N 341.429 1.948 0 40 EDAB Cc1cc(C(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)no1 225634266 RSWQDIXXYIKRND-CYBMUJFWSA-N 329.312 1.433 0 40 EDAB NC[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1 44556249 LRRBJBSSFSXISO-NSHDSACASA-N 333.251 1.951 0 40 EDAB Cn1cc(N2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)cn1 569937077 GRHCENTUQQHKRB-UHFFFAOYSA-N 339.321 1.796 0 40 EDAB CCc1nncn1CCNC(=O)c1nn(-c2ccc(F)cc2)cc1O 84404416 JKLKSGXMAXACFD-UHFFFAOYSA-N 344.350 1.301 0 40 EDAB Cc1ccccc1-c1cc(N(C)Cc2nc(N)nc(N(C)C)n2)n[nH]1 83211694 XWQHSLSZNRDUEN-UHFFFAOYSA-N 338.419 1.855 0 40 EDAB O=S(=O)(c1cccc2c1OCCO2)N1CCOC[C@@H]1CC(F)F 329071927 NYHTXWBJNYYFII-JTQLQIEISA-N 349.355 1.503 0 40 EDAB NC(=O)[C@H]1CCCN(c2ncccc2CNC(=O)C(F)(F)Cl)C1 195570577 FCKHISHYDDXXHQ-JTQLQIEISA-N 346.765 1.231 0 40 EDAB C[C@@H](C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1)S(C)(=O)=O 96423030 QPMRUAUHXADQCB-RYUDHWBXSA-N 344.864 1.858 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1COC[C@H]2CN(c3ncccn3)C[C@@H]12 96064477 NETHNKIVHQDQTP-BPLDGKMQSA-N 325.372 1.209 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 96426823 HTCDIUYMLCATML-VIFPVBQESA-N 333.314 1.068 0 40 EDAB O=C1CC[C@@H](N2CCN(C(=O)COc3ccccc3F)CC2)CCN1 333576711 ZBUSDJKEBOLUIP-CQSZACIVSA-N 349.406 1.017 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CN1C(=O)COc3ccccc31)C2 97198262 IKIPYLADKJQDDU-CYBMUJFWSA-N 340.383 1.048 0 40 EDAB CCOC[C@@H]1CN(S(=O)(=O)c2cccs2)Cc2nccn2C1 96187799 CFRYYKPCNZZCJN-LBPRGKRZSA-N 341.458 1.802 0 40 EDAB O=c1cc(Cn2ccnc2)nc2n1CCCN(Cc1ccoc1)C2 96059597 HEWGOTPHYILTCP-UHFFFAOYSA-N 325.372 1.487 0 40 EDAB Cc1noc(C)c1CN1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 96225512 HWQGMAAUAPBBRD-KRWDZBQOSA-N 334.420 1.879 0 40 EDAB Cc1nc(C)c(C(=O)NCCN2Cc3ccccc3OCC2=O)s1 238869547 MOHWDZCLDFQSBR-UHFFFAOYSA-N 345.424 1.911 0 40 EDAB O=C(NC[C@@H]1CCCN(C(=O)CCc2ccccc2)C1)[C@@H]1CCCN1 95435774 ZQSUFECGNMRBFQ-ROUUACIJSA-N 343.471 1.726 0 40 EDAB CN(CCCN1CCOC1=O)CCN1CCN(c2ccccc2)CC1 96414992 HPZGLNPIPOKNQM-UHFFFAOYSA-N 346.475 1.583 0 40 EDAB Cc1cc(O)cc(=O)n1CC(=O)NCCc1c[nH]c2ccc(F)cc12 96223600 VMDVPJUKQXDFKB-UHFFFAOYSA-N 343.358 1.842 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CN(C(=O)c3cccs3)CCO2)n1 257249931 JKHYRIOHYCFCIH-CYBMUJFWSA-N 346.412 1.388 0 40 EDAB Cc1ncsc1CN1CCC[C@H]1c1ccnc2c(C(N)=O)cnn12 257265578 LZGHNGSNXHQWCW-LBPRGKRZSA-N 342.428 1.930 0 40 EDAB CCOc1nccn2c(CNC(=O)c3ccc4[nH]cnc4c3)nnc12 253473524 VSZYXHVKTRTZHY-UHFFFAOYSA-N 337.343 1.329 0 40 EDAB O=C1CO[C@H]2CCN(C(=O)c3ccccc3C(F)(F)F)CC[C@@H]2N1 257265651 LZSFQEPQLBNODJ-STQMWFEESA-N 342.317 1.825 0 40 EDAB CC(=O)N1CCC(NC(=O)c2cc(Cl)ccc2-n2cnnn2)CC1 42018441 FKYYPFOSATWTLP-UHFFFAOYSA-N 348.794 1.056 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257283988 PAUBRCCGAXIBJA-CQSZACIVSA-N 327.388 1.610 0 40 EDAB COCCC(=O)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 257263764 LRIIQAHLMGELQD-QGZVFWFLSA-N 333.432 1.614 0 40 EDAB CCCCNC(=O)CN1CCN(C(=O)c2ccoc2C2CC2)CC1 585079829 RXHUQDZBIBAPFT-UHFFFAOYSA-N 333.432 1.831 0 40 EDAB CCc1cc(C(=O)N2CCC[C@@H]2c2cncc(CNC(C)=O)n2)no1 257205019 AXGYDLKTCKVKSV-MRXNPFEDSA-N 343.387 1.640 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)CN(C)C1CCCC1 257236247 HBIOMCMVORZLPO-KRWDZBQOSA-N 346.475 1.819 0 40 EDAB CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)Nc3cccnc3)CO2)C1 585120089 QGUOKUIXKDESDI-CYBMUJFWSA-N 348.403 1.982 0 40 EDAB CNc1cc([C@@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)ccn1 257252670 JVQQXPPRENIQBN-HNNXBMFYSA-N 338.477 1.684 0 40 EDAB C[S@@](=O)C1(C(=O)O)CCN(C(=O)c2cccc3c2CCC3)CC1 585134398 QPTQGIAKQBFGHH-HSZRJFAPSA-N 335.425 1.613 0 40 EDAB Cc1ccc2nc(C3CC3)cc(C(=O)NCc3nc(CO)n[nH]3)c2c1 585127564 DHPKEBLSGPUFEE-UHFFFAOYSA-N 337.383 1.961 0 40 EDAB C[C@@H](NC(=O)Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2)C(N)=O 1615046179 BBDNIIYOPQTDNQ-YPMHNXCESA-N 343.452 1.948 0 40 EDAB COC[C@H]1CC[C@H]1NC(=O)c1cccc(C(=O)N(C)CC(C)C)n1 1615000930 HQRRLTLUPQREKS-ZIAGYGMSSA-N 333.432 1.964 0 40 EDAB Nc1cc(F)c(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1Cl 1615586876 QRMUKQGOCVEMHL-CABCVRRESA-N 341.814 1.733 0 40 EDAB Cc1nccn1CCN[C@H]1C[C@H]2CN(Cc3ccccc3)CCN2C1 1615572624 YLUJNTBHFYBAPE-PMACEKPBSA-N 339.487 1.740 0 40 EDAB O=C1CCOc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)cc21 570605877 YMZUKWAJZUKOFR-SNVBAGLBSA-N 339.369 1.137 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575402724 GCPDGOCGKIBTJC-NSHDSACASA-N 346.387 1.790 0 40 EDAB O=C(O)[C@H]1CC(F)(F)CN1S(=O)(=O)c1cccc(Cl)c1F 585124122 HOAXQTDVQBDTDL-SSDOTTSWSA-N 343.710 1.962 0 40 EDAB CS(=O)(=O)NCC[C@@H]1CN(Cc2cccs2)Cc2ccnn21 585112633 UQPWISCWGRZBKI-CYBMUJFWSA-N 340.474 1.441 0 40 EDAB CCc1ccccc1S(=O)(=O)NC[C@@H](CO)Cc1cccnc1 585141964 JWYPNIYBQAGIGR-HNNXBMFYSA-N 334.441 1.774 0 40 EDAB CO[C@@]1(CC(N)=O)COCCN(C(=O)c2ccc3oc(C)cc3c2)C1 585280088 AFLKCMYOXLIHFB-GOSISDBHSA-N 346.383 1.474 0 40 EDAB O=C(C1CC(O)C1)N1CCC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 585100887 YAXUEDUGTLWVBR-WOVHFWOGSA-N 332.400 1.381 0 40 EDAB CCS(=O)(=O)NC[C@H]1CN(Cc2ccc(C)cc2)Cc2ccnn21 585112520 QTBWBVWHALYUNU-KRWDZBQOSA-N 348.472 1.688 0 40 EDAB Cn1ccc(C(=O)N2CC[C@](O)(COc3ccccc3)C2)cc1=O 585276168 KRBJRSBXZKRLGB-GOSISDBHSA-N 328.368 1.041 0 40 EDAB C[C@@H](NC(=O)c1ccc(-n2cncn2)cc1)c1nnc2ccccn12 52757592 FRHHCQNPBMUWMC-GFCCVEGCSA-N 333.355 1.801 0 40 EDAB Cc1cccc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)n1 48232296 YKCRKMYFYAXLIX-CQSZACIVSA-N 326.400 1.940 0 40 EDAB CCN(CC)[C@@H](CNC(=O)c1n[nH]c(=O)[nH]1)c1ccccc1Cl 48355011 UJLOTXZIHADVLI-LBPRGKRZSA-N 337.811 1.564 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)NCc1cccc(OC(F)F)c1 50640339 PLFKONDVOGBVBK-NSHDSACASA-N 347.387 1.694 0 40 EDAB CC(C)(C)OC(=O)CN(CCc1ccccc1)CCS(C)(=O)=O 58432029 CQRAKDLWQXFHHO-UHFFFAOYSA-N 341.473 1.917 0 40 EDAB COCCOc1ccc(NC(=O)[C@H](C)NC(=O)c2ccoc2)cn1 58142599 CKMPWQKSKMMXJX-NSHDSACASA-N 333.344 1.457 0 40 EDAB O=C(/C=C/c1ccccc1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 69538366 HXAABXZTUJOIBW-GUFYHEMZSA-N 334.441 1.077 0 40 EDAB Cc1ccc(CN(C)C(=O)NC2CCN(S(C)(=O)=O)CC2)s1 69583339 VBQVQAYHUOSKGX-UHFFFAOYSA-N 345.490 1.622 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)NCCc2ccccc2)n1 69617161 FNKJVESKFCLKGM-GOSISDBHSA-N 341.459 1.718 0 40 EDAB CCOc1ccc(CCC(=O)N2CCN(CC(C)(C)O)CC2)cc1 69632346 QNEWYMXGDGCRNY-UHFFFAOYSA-N 334.460 1.933 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN2C(=O)CSC2=O)c(F)c1 69949981 RLGMEXKQGJZWPM-UHFFFAOYSA-N 332.378 1.108 0 40 EDAB O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1n[nH]c(=O)[nH]1 80325737 NKORIMANCOGTBC-AWEZNQCLSA-N 334.339 1.494 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCC(S(C)(=O)=O)CC1 96098195 GJSIZDMZXISIBY-UHFFFAOYSA-N 331.821 1.998 0 40 EDAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)cc1 96375233 RTBIWFKAGKSWDH-YIONKMFJSA-N 325.405 1.935 0 40 EDAB O=C(Nc1cccs1)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(C2CC2)nn1 1549160463 DHKMSFSSRYHIIG-OUCADQQQSA-N 349.416 1.167 0 40 EDAB Cc1sc2ncn3c(=O)n(CC(=O)N4CCCC4)nc3c2c1C 12336884 HYEFDHVXBXRXDY-UHFFFAOYSA-N 331.401 1.345 0 40 EDAB CC(C)C[C@@H](CNS(=O)(=O)c1ccccc1)N1CCOCC1 12778004 FQYDYCGDEXEDRK-HNNXBMFYSA-N 326.462 1.712 0 40 EDAB Cc1cc(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)on1 14120831 JIFDJVFRWYTEPB-UHFFFAOYSA-N 346.362 1.519 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CC1 14796780 FSUVVGYUGXTCQK-QMMMGPOBSA-N 347.234 1.395 0 40 EDAB c1cnc(N2CCC[C@@H](CNC3CCC4(CC3)OCCO4)C2)nc1 161706715 LOTDMLLDGBMVJA-HNNXBMFYSA-N 332.448 1.968 0 40 EDAB COc1ccc(S(=O)(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1C 4505223 JWAHEEDDMMGNDS-AWEZNQCLSA-N 347.458 1.201 0 40 EDAB O=C(NCCn1nc(-c2cnccn2)cc1C1CC1)[C@@H]1CCOC1 238859658 KKUYZNYYJWAISG-CYBMUJFWSA-N 327.388 1.370 0 40 EDAB O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)N1CCCCCC1 1888901305 HIRGPUWDCQZTNI-UHFFFAOYSA-N 328.416 1.777 0 40 EDAB O=C1CCOCCN1CCN1CCN(c2nc3ccccc3o2)CC1 1889108551 MFJOSFPQHSVNKA-UHFFFAOYSA-N 344.415 1.199 0 40 EDAB Cn1nc(C(=O)N2C[C@H]3CN(c4cnccn4)C[C@@H]3C2)c2ccccc21 1889211580 FLJXPCGYAKYMBD-ZIAGYGMSSA-N 348.410 1.572 0 40 EDAB CS(=O)(=O)Nc1ccccc1C(=O)NCCCN1CCCC1 22913912 JRSBLKOQAHHPCD-UHFFFAOYSA-N 325.434 1.274 0 40 EDAB CCn1nnc2cc(C(=O)NCc3cccnc3-n3cccn3)ccc21 24796318 JQYWNGHWAZVQCA-UHFFFAOYSA-N 347.382 1.962 0 40 EDAB Cc1cccc(-c2noc(CN3C(=O)N[C@@]4(CCSC4)C3=O)n2)c1 32319740 IOTPDOUBORYEQL-MRXNPFEDSA-N 344.396 1.973 0 40 EDAB Cn1cnc(N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)cc1=O 1775995337 ORAKXGTYGMWYRV-UHFFFAOYSA-N 343.431 1.476 0 40 EDAB COc1ccc(CNC(=O)N2CCN(c3cnsn3)CC2)cc1 1565522117 BKRXJAHOVFQUTD-UHFFFAOYSA-N 333.417 1.579 0 40 EDAB CCCNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 3007600 KCLOLTASUOGRBL-UHFFFAOYSA-N 341.411 1.973 0 40 EDAB CNC(=O)c1csc(NC(=O)c2cc3ccccc3oc2=O)n1 8874222 MZDQWDKXIXVMOW-UHFFFAOYSA-N 329.337 1.861 0 40 EDAB O=C(COc1ccccc1F)NCc1nnnn1-c1ccccc1 9570656 ZJTNHDNKBXTMBK-UHFFFAOYSA-N 327.319 1.497 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2ccc(F)cc2)CC1 2055747110 JERLUNNUNHKNQF-UHFFFAOYSA-N 345.422 1.752 0 40 EDAB Cc1c(CN[C@H]2CCc3onc(C(=O)NC(C)C)c3C2)cnn1C 2055745555 JISICZYGUBYELL-ZDUSSCGKSA-N 331.420 1.502 0 40 EDAB CN1CCN([C@H](c2cccc(F)c2)c2sc3ncnn3c2O)CC1 22031227 UNDORCSYTVADJJ-CYBMUJFWSA-N 347.419 1.972 0 40 EDAB O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)N1CCOCC1 23230940 XBVQBROHSFKSMI-UHFFFAOYSA-N 333.775 1.423 0 40 EDAB Cc1nc(CN2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)cs1 2086889212 QCIVZSJZWSKYOP-ZDUSSCGKSA-N 329.491 1.840 0 40 EDAB O=C(Cc1ccc(F)cc1F)NCc1cn(-c2cccnc2)nn1 575414326 CFCADWIUJGMBIA-UHFFFAOYSA-N 329.310 1.799 0 40 EDAB O=c1ccc(-c2cccnc2)nn1CC1CN([C@@H]2CCC[C@@H]2O)C1 585606375 WPIPXVDMCIVMSV-SJORKVTESA-N 326.400 1.151 0 40 EDAB O=C(NC[C@]1(OCCO)CCOC1)c1ccc(C(F)(F)F)cc1 617718057 RLSJHNFJINEZNN-CQSZACIVSA-N 333.306 1.603 0 40 EDAB NC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 6926778 KASQXRZPOXJHEQ-BVGQSLNGSA-N 332.400 1.569 0 40 EDAB biogenic CCCCC[C@@H](C)NC(=O)CS(=O)(=O)Cc1nnnn1C1CC1 40106227 LFSDJRBWEHTNPY-LLVKDONJSA-N 343.453 1.008 0 40 EDAB CS(=O)(=O)NCCCNC(=O)COc1ccc2ccccc2c1 31217547 HRESXHUTFMZXBW-UHFFFAOYSA-N 336.413 1.274 0 40 EDAB O=C(NCCCN1CCOCC1)c1cc(Cl)c2c(c1)OCO2 40461182 PNBCWLPEFBBENF-UHFFFAOYSA-N 326.780 1.521 0 40 EDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@H]1COc2ccccc2C1 40553712 SHXFAJKUZFCACW-CVEARBPZSA-N 338.411 1.813 0 40 EDAB COc1ccc(NC(=O)Cn2cc(Br)ccc2=O)cn1 40512440 CIDNKAHSMVEIJO-UHFFFAOYSA-N 338.161 1.653 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(N2CCNC2=O)c1 40527753 LXAHNIQMZRTVBB-UHFFFAOYSA-N 339.351 1.875 0 40 EDAB CC[C@H](Oc1ccccc1OC)C(=O)NCCCN1CCOCC1 20567989 BSAIMKOUXIWAHG-HNNXBMFYSA-N 336.432 1.691 0 40 EDAB C[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)[C@H]1CCCO1 32247519 CUSMTBJOMXFKJW-NOZJJQNGSA-N 330.388 1.436 0 40 EDAB C[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1ccncc1 29433674 LJWOKAZJFYSYNT-LRDDRELGSA-N 337.383 1.379 0 40 EDAB CNc1snc(C)c1C(=O)N1CCCN(Cc2nccn2C)CC1 69814832 XNXAJWSSXGLGFW-UHFFFAOYSA-N 348.476 1.575 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCCN2c2ncnc3c2cnn3C)n1 69841036 NRPKDCHEQHCMOB-ZDUSSCGKSA-N 326.408 1.631 0 40 EDAB Cc1nccn1-c1cc(CNC(=O)N[C@H](C)[C@H]2CCCO2)ccn1 46100263 WMJFWVGGIWPUAZ-IUODEOHRSA-N 329.404 1.942 0 40 EDAB O=C1C[C@@]2(CCSC2)C(=O)N1CCS(=O)(=O)c1ccccc1 60368158 IVVAUEKSSPIMBQ-OAHLLOKOSA-N 339.438 1.343 0 40 EDAB Cc1noc(CCNC(=O)N2CCN(C)C[C@@H]2c2ccccc2)n1 102035249 CUXKHQSLZPBJRN-OAHLLOKOSA-N 329.404 1.619 0 40 EDAB Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(=O)[nH]c1=O 1282719 GZNFKBRZKGGQMT-UHFFFAOYSA-N 326.765 1.151 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCc1ccc(F)cc1 2623109 OSYJRDPLCHQLRP-UHFFFAOYSA-N 333.363 1.349 0 40 EDAB Cc1cc(NC(=O)COC(=O)[C@H](C)NC(=O)c2ccccc2)no1 2616302 UOPDJQXOEGHYAQ-NSHDSACASA-N 331.328 1.283 0 40 EDAB C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23 3881910 BTHCJHQOYFUIMG-OGSIMJPISA-N 337.416 1.273 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cnc(C)cn2)c1C 6348998 TWYSGFXRVJCLQD-LLVKDONJSA-N 345.355 1.945 0 40 EDAB Cc1ccc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)n1C 102739943 COHNNRNFHWEPIL-ZDUSSCGKSA-N 325.368 1.791 0 40 EDAB Cn1ncc2c(=O)[nH]c(NCCc3coc(-c4ccccc4)n3)nc21 71899546 KLZRIZDXXYETJN-UHFFFAOYSA-N 336.355 1.966 0 40 EDAB CCCCN(C(C)=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8393042 WZAHCBIYNFYNOE-UHFFFAOYSA-N 330.388 1.320 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(Cc2cccnc2)CC1 71821476 ISZQCALUFMLKEK-UHFFFAOYSA-N 339.395 1.697 0 40 EDAB COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCOC3)CC2=O)cc1OC 41367289 JJPDQDPKGGVELN-CHWSQXEVSA-N 348.399 1.209 0 40 EDAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)C2)c(OC(F)F)c1 71894454 YIOMAURBBBLEMM-VIFPVBQESA-N 342.298 1.491 0 40 EDAB O=C(NCCN1CCOCC1)Nc1cc(F)ccc1-n1cccn1 71883777 CUQJSAYAGBFZOM-UHFFFAOYSA-N 333.367 1.465 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(C(C)C)c1ccccc12 529994 FYKVDYHNIUQMRO-INIZCTEOSA-N 346.412 1.597 0 40 EDAB COCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321416 LJAGSHBKZVIZSW-CQSZACIVSA-N 329.400 1.783 0 40 EDAB NC(=O)c1ccc(N2CCCC2)c(NCC(=O)NC2CCCC2)c1 9645620 YZSDPXGDHQBVRC-UHFFFAOYSA-N 330.432 1.856 0 40 EDAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2cccnc2OC)c1 61659962 NMILTEBONRKJRQ-AWEZNQCLSA-N 347.371 1.963 0 40 EDAB O=C(NCCc1cn2ccccc2n1)[C@H]1CC(=O)N(C2CCCC2)C1 23319584 WYUQBHCTSBTEES-AWEZNQCLSA-N 340.427 1.784 0 40 EDAB O=C(NCc1cc(O)n2nc(-c3ccncc3)cc2n1)c1ccccn1 100744410 SBFHMEUUSCVSQQ-UHFFFAOYSA-N 346.350 1.822 0 40 EDAB Cc1cn2c(CN(C)S(=O)(=O)c3c[nH]cn3)c(C)nc2s1 76018116 PPJMPUPGNGYKCH-UHFFFAOYSA-N 325.419 1.556 0 40 EDAB CCCc1n[nH]c([C@@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)n1 76049397 UUSMMBILSPOSKK-ZFWWWQNUSA-N 347.394 1.496 0 40 EDAB COc1cc(/C=c2\s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc(OC)c1 105741007 XPYJBLFUHCBCNA-KQXCDQHBSA-N 347.436 1.678 0 40 EDAB CCn1nnnc1SCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 24508921 FCERSUGHFSHXKF-UHFFFAOYSA-N 334.405 1.232 0 40 EDAB O=C(NCCc1nc(-c2ccco2)n[nH]1)C(=O)Nc1ccc(F)cc1 77841769 WBYPCXNBIIQONC-UHFFFAOYSA-N 343.318 1.501 0 40 EDAB NS(=O)(=O)CC1CCN(C(=O)c2ccc(Cl)cc2F)CC1 78453880 ZOCXDCCFTPBGOI-UHFFFAOYSA-N 334.800 1.620 0 40 EDAB CCc1cnc(CN(C(C)=O)[C@@H]2CCN([C@@H]3C[C@H](C)OC3=O)C2)o1 78892258 OJVCWTQDDDRIFI-NJZAAPMLSA-N 335.404 1.364 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 25227243 CIDJGPFELOAIGM-UHFFFAOYSA-N 331.460 1.924 0 40 EDAB C[C@@H](Sc1nc2ncccn2n1)C(=O)NC(=O)Nc1ccccc1 10079274 BNMFTIHIHJYAMC-SNVBAGLBSA-N 342.384 1.953 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN(CC(=O)N[C@H](C)c3ccco3)C2)o1 108087265 ZABUAZKRHSZTOW-CABCVRRESA-N 346.431 1.960 0 40 EDAB Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)s1 26522286 YCENMTHZWQUCMX-UHFFFAOYSA-N 338.454 1.985 0 40 EDAB CC(C)[C@@H](NC(N)=O)C(=O)NCCc1ccc(-n2cccn2)cc1 10222287 NOFKXQDCZHBACJ-OAHLLOKOSA-N 329.404 1.224 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C(=O)CCc3cccnc3)C2)n[nH]1 78901599 ZUHWFPZSXQMPQF-ZDUSSCGKSA-N 327.388 1.242 0 40 EDAB COc1cccc([C@@H](NC(=O)N2CCOCC2)c2nccn2C)c1 27338726 JBXFPVPQJREQCR-OAHLLOKOSA-N 330.388 1.560 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H](O)c2ccco2)[nH]n1 78988165 MKAGHTAFXLKRQW-ZDUSSCGKSA-N 329.360 1.483 0 40 EDAB CCn1ccnc1CN1CC[C@@H](N(C)Cc2nnc(C3CC3)n2C)C1 83843613 FXMKATAIMYSOOG-OAHLLOKOSA-N 343.479 1.615 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc[nH]2)o1 79092242 JDFJLRCQVCRJMG-SNVBAGLBSA-N 339.373 1.705 0 40 EDAB C[C@@H]1CCCCN1S(=O)(=O)NCCC(=O)NCc1ccccc1 58292193 KIKYAHZKOJGTIJ-CQSZACIVSA-N 339.461 1.402 0 40 EDAB CC(C)[C@H](Sc1nc2ncccn2n1)C(=O)NCc1cccnc1 58209240 PHNIAISAMXMQEB-ZDUSSCGKSA-N 342.428 1.952 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)c(Cl)c1 58282375 CCLVVSZEAAMOKV-CABZTGNLSA-N 347.820 1.972 0 40 EDAB C[C@@H](CNC(=O)Nc1nncs1)N1CCN(c2ccccc2)CC1 44944865 SOJWUYJSULHRSV-ZDUSSCGKSA-N 346.460 1.870 0 40 EDAB CCOC(=O)[C@@H]1CCCN(CCCc2nnnn2-c2ccccc2)C1 48272768 KELCGCOKBPOIJD-OAHLLOKOSA-N 343.431 1.870 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccsc2)CC1 28094488 ZNUXAKIANZLLGO-CYBMUJFWSA-N 347.440 1.804 0 40 EDAB Cc1[nH]c2c(C(=O)NCCC(=O)N3CCOCC3)cccc2c1C 45316560 SILBTYJGPRXQSC-UHFFFAOYSA-N 329.400 1.763 0 40 EDAB CC(C)(O)CN1CCN(C(=O)C(C)(C)n2cc(Cl)cn2)CC1 69951188 PHUCPLHBNVYTAW-UHFFFAOYSA-N 328.844 1.187 0 40 EDAB CC(C)[C@H](NC(=O)CSC1=NCCN1)c1ccc2c(c1)OCCO2 12806591 PLAHVKKQNQXAAD-INIZCTEOSA-N 349.456 1.964 0 40 EDAB COc1ccc(CCNC(=O)[C@H](C)OC(=O)c2cnn(C)c2)cc1 12852844 YPIBGNDQSKTKPP-LBPRGKRZSA-N 331.372 1.333 0 40 EDAB CC1CCN(S(=O)(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 69976051 KGEZELQBTKJHKG-ZDUSSCGKSA-N 348.465 1.989 0 40 EDAB CCNC(=O)NC(=O)CSc1nnc(C)n1-c1ccccc1C 3424573 HFUKMVYOTRZRKM-UHFFFAOYSA-N 333.417 1.822 0 40 EDAB O=C(C1CCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 9450054 KOTHNICCFPKWOY-UHFFFAOYSA-N 342.848 1.973 0 40 EDAB Cc1ccc(NC(=O)CNC(=O)NCc2ccco2)c2[nH]ncc12 63716085 XHLHUNYFKANBDX-UHFFFAOYSA-N 327.344 1.902 0 40 EDAB O=C(CC1CCCCC1)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 71921226 WDYGOLGEGXUIDC-INIZCTEOSA-N 342.505 1.725 0 40 EDAB COc1ccc(S(=O)(=O)CC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 4040731 ZTKNGGWKHZGTAL-RYUDHWBXSA-N 327.402 1.105 0 40 EDAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CCCO1 27396150 PETPXIGCWHSVQY-NWDGAFQWSA-N 326.418 1.426 0 40 EDAB CN1CCC[C@H](N2CCN(CC(=O)N(C3CCCC3)C3CC3)CC2)C1 71909026 NDNUCVWCSGEEOI-IBGZPJMESA-N 348.535 1.632 0 40 EDAB CCN1C(=S)N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 8993641 KJICILMITGQIRS-NEPJUHHUSA-N 330.862 1.932 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 71881895 QIRBNSVNCORIOU-MRXNPFEDSA-N 331.416 1.323 0 40 EDAB COC[C@@H](O)CN(C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 65435090 SYYTUNYFBYWJNT-BBRMVZONSA-N 332.404 1.582 0 40 EDAB CCOc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1 65451905 QGELLNZGALXAJK-UHFFFAOYSA-N 349.412 1.100 0 40 EDAB CCC(=O)N1CCC[C@@H](C(=O)NCc2n[nH]c(=S)n2CC)C1 65521712 BXSLRXNGONQHBM-SNVBAGLBSA-N 325.438 1.225 0 40 EDAB CCn1nnnc1SCC(=O)N(C)C[C@@H]1COc2ccccc2O1 14161112 IDCQVKARXNTJOV-LLVKDONJSA-N 349.416 1.084 0 40 EDAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)NC(N)=O 5753469 ARVDRUIBPQRCHG-JTQLQIEISA-N 341.367 1.854 0 40 EDAB C/C(NC[C@@H]1CCCO1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 5818623 CXKZDXMYKLDRMP-UESPBHMZSA-N 343.383 1.620 0 40 EDAB COc1cc(C(=O)NC(C)(C)CC(N)=O)sc1Br 96014098 OIYPPTOGPJKDSD-UHFFFAOYSA-N 335.223 1.903 0 40 EDAB Nc1nc(N)nc(SCC(=O)Nc2ccc(N3CCCC3)cc2)n1 7219777 ACWSRFXMZGQVST-UHFFFAOYSA-N 345.432 1.367 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccn2)c1 15645046 SHCIHWZZFNPBAI-UHFFFAOYSA-N 334.353 1.281 0 40 EDAB CN(C)CCN(c1ccccc1)S(=O)(=O)C[C@@H]1CCCCO1 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UAAZYYAKAKGGQV-UHFFFAOYSA-N 340.305 1.827 0 40 EDAB CN1c2ncccc2C(=O)NC12CCN(C(=O)c1cscn1)CC2 72347106 QVLCZLVQTKYOFS-UHFFFAOYSA-N 343.412 1.350 0 40 EDAB COC(=O)c1ccc(F)c(NCC(=O)NC(=O)NC2CCCC2)c1 23903400 CBTYXEZKTRSDIT-UHFFFAOYSA-N 337.351 1.793 0 40 EDAB O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1ccc2c(c1)OCCO2 56906491 RMDUBLORBXPARS-GFCCVEGCSA-N 348.380 1.308 0 40 EDAB CCCNc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O 217662310 QBRSRVAEZAIHTC-SNVBAGLBSA-N 330.406 1.520 0 40 EDAB CCCCOCCCNC(=O)CSCC(=O)Nc1cc(C)on1 21333779 GXLYLIANRHUBAL-UHFFFAOYSA-N 343.449 1.978 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 38756600 RVSSWJMYADAGKQ-UHFFFAOYSA-N 340.445 1.827 0 40 EDAB O=C(Nc1nccs1)[C@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 408736964 KHLPMOCNVJKVKO-QWHCGFSZSA-N 347.396 1.854 0 40 EDAB CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(N)(=O)=O)CC1 33045279 YWURGXCNUCTVSR-KBPBESRZSA-N 345.509 1.623 0 40 EDAB Cn1c([C@H]2CCCN2C(=O)CCCn2cnnn2)nc2ccccc21 524735096 VFDJSMFCAGRCOS-OAHLLOKOSA-N 339.403 1.704 0 40 EDAB C[C@H](CC(=O)N[C@@H](C)C(=O)N1CCOCC1)Cc1cccc(F)c1 73118552 HTYIXJCBLVWRPA-KBPBESRZSA-N 336.407 1.758 0 40 EDAB O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)N1CCNC1=O 36360723 IJWTVMLUBFUTEH-UHFFFAOYSA-N 346.412 1.279 0 40 EDAB CCO[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)C1 78664798 RUARFISPSXOSKR-ZDUSSCGKSA-N 326.418 1.284 0 40 EDAB Cc1ccc(Cn2c(SCC(N)=O)nc3nccnc3c2=O)cc1 6818707 OSZZMNFQUYOHJX-UHFFFAOYSA-N 341.396 1.121 0 40 EDAB O=C(CNCc1cccnc1)Nc1ccccc1N1CCOCC1 35311445 MKVCVRWVKUQUDM-UHFFFAOYSA-N 326.400 1.647 0 40 EDAB CCn1cc([C@@H]2CN(C(=O)NCCc3c(C)noc3C)CCO2)cn1 188724582 ZXYAEWDVFLGOHV-INIZCTEOSA-N 347.419 1.833 0 40 EDAB CN1CCN(c2ncc3c(n2)CN(C2CCSCC2)C3=O)CC1 41123846 FUBNUHURLYGHCC-UHFFFAOYSA-N 333.461 1.080 0 40 EDAB Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(C(=O)O)s2)no1 568745439 DBXFWSINPAZDIC-UHFFFAOYSA-N 331.375 1.351 0 40 EDAB Cc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(N2CCCC2)n1 49410894 AQNBGVPXYCIROL-UHFFFAOYSA-N 330.363 1.930 0 40 EDAB COc1ccc([C@H](CC(=O)NCC(C)C)NS(C)(=O)=O)cc1 225954495 XLYLIQZIMJADQU-AWEZNQCLSA-N 328.434 1.448 0 40 EDAB CC(=O)Nc1ccc(N2C(=O)C[C@H](N3C[C@@H](C)O[C@H](C)C3)C2=O)cc1 137655535 KKTGZRNDWLAPHX-HSMVNMDESA-N 345.399 1.386 0 40 EDAB C[C@@](O)(CNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccsc1 80892029 RYWQGGPYENEQJM-MRXNPFEDSA-N 343.412 1.426 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)Nc2ccnc(Cc3ccccc3)n2)CCO1 1594947899 BPWCNZHAMBLLOG-ZDUSSCGKSA-N 342.355 1.385 0 40 EDAB CCCS(=O)(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C2=O 96202943 YQBDYRNGZVRXOF-UHFFFAOYSA-N 340.420 1.994 0 40 EDAB Cc1cnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nc1C 96486648 PTXQTRWZTYTSCD-HNNXBMFYSA-N 331.464 1.663 0 40 EDAB Cn1cc(N2C[C@@]3(CCN(C(=O)c4cccn4C)C3)CC2=O)cn1 96239311 CKUAGLFZAMVXTI-KRWDZBQOSA-N 327.388 1.028 0 40 EDAB Cc1noc(C)c1CN1CCOC[C@@]2(CCN(C3CCOCC3)C2)C1 96062327 FWSAZUCCAKYOGI-IBGZPJMESA-N 349.475 1.995 0 40 EDAB CCCC(=O)N1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2CC(C)C 96251568 KWUUCBDXBQMLLB-LSDHHAIUSA-N 330.494 1.533 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cnc[nH]2)C1 96426827 KKMUZURXCLDISW-JTQLQIEISA-N 332.326 1.673 0 40 EDAB Cc1ccccc1CCNC(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O 583614741 XBTJFXNDJOHBRF-IPMKNSEASA-N 346.471 1.516 0 40 EDAB CC(C)n1cc([C@]2(O)CCCN(C(=O)c3ccncc3F)C2)nn1 583619053 ZURXKNYVXGAWPA-INIZCTEOSA-N 333.367 1.517 0 40 EDAB COC(=O)[C@H]1CC12CCN(S(=O)(=O)CCC(F)(F)Cl)CC2 583651538 ODKVDTAOGMLJAB-SECBINFHSA-N 345.795 1.813 0 40 EDAB c1ccc(COC[C@@H]2CN(C[C@@H]3CCOC3)Cc3ccnn3C2)nc1 96044202 MRVOFLPJMVKBNV-DLBZAZTESA-N 342.443 1.963 0 40 EDAB Cc1ccc(CN2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)o1 96050350 GRZQHWMPWBDEHH-SFHVURJKSA-N 343.431 1.245 0 40 EDAB CC(C)CS(=O)(=O)C1CN(C(=O)c2cnc3ccccc3n2)C1 96121969 QYFFLXXOOYSOPA-UHFFFAOYSA-N 333.413 1.525 0 40 EDAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(C(=O)c1ccno1)CC2 96069756 SVERJNUZVTULTK-ZDUSSCGKSA-N 343.387 1.029 0 40 EDAB CN(C[C@@H](O)CN1CCc2c(nnn2-c2ccccc2)C1)C1CC1 583909316 WMDOHIOLNKQRIU-MRXNPFEDSA-N 327.432 1.081 0 40 EDAB O=C(O)[C@H]1C[C@H](N2CCCC2)CCN1C(=O)c1ccc2c(c1)OCO2 96069054 OTNGRQRBEBYJPM-ZIAGYGMSSA-N 346.383 1.569 0 40 EDAB CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(CC1CCOCC1)C2 248053465 XWHKSJYQWWJAOA-AWEZNQCLSA-N 328.478 1.078 0 40 EDAB COc1ncccc1C(=O)N1Cc2ccnn2C[C@H](OCC2CC2)C1 247832807 IAVFOPGEMOKSTF-OAHLLOKOSA-N 342.399 1.738 0 40 EDAB O=C(NC1CCN(C2CCC2)CC1)c1cn(C[C@@H]2CCOC2)nn1 529466540 GNTIKGGPNXDHKN-ZDUSSCGKSA-N 333.436 1.061 0 40 EDAB O=C(C[C@@H]1CN(C2CCOCC2)Cc2ccnn21)NCc1ccco1 247853571 JQAYHLCXYCFRQF-MRXNPFEDSA-N 344.415 1.718 0 40 EDAB COCCN(C(=O)c1cc(F)cc2cccnc12)c1nnnn1C 585124814 UFBYUWUDGRZJCV-UHFFFAOYSA-N 330.323 1.191 0 40 EDAB COc1cccc(CN2C[C@H]3O[C@H](C[C@H]3C(=O)NCC3CC3)C2)c1 247900000 QGFDPPFHLMZSRK-KZNAEPCWSA-N 330.428 1.811 0 40 EDAB C[C@@H](CC(=O)N1CCO[C@@H](Cn2ccnn2)C1)Cc1cccc(F)c1 585128347 YZKRPOAHINCOKK-RHSMWYFYSA-N 346.406 1.914 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N2CCC(c3ncco3)CC2)c[nH]1 585134758 JCGCHSDPEBIZLM-UHFFFAOYSA-N 339.373 1.358 0 40 EDAB CN(C)Cc1cnc([C@@H]2CN(C(=O)c3cccc(F)c3)CCO2)[nH]1 257331744 XUBRBDUFAMQNAR-HNNXBMFYSA-N 332.379 1.824 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCO[C@@H](c2ccncc2)C1 257284794 PEINKTAXTXHXMN-MRXNPFEDSA-N 339.351 1.590 0 40 EDAB Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257221365 DOTFAAJFCLTVTO-BFYDXBDKSA-N 332.404 1.644 0 40 EDAB CO[C@@H]1CCN(CC(=O)N2CCc3ccccc32)C[C@@]12CCCO2 257199800 AAVRCEIJCZPSPH-MJGOQNOKSA-N 330.428 1.846 0 40 EDAB Nc1nccnc1C[C@H]1CCCN(C(=O)c2cnn3cccnc23)C1 257246346 ITRIIOFSYJLFKS-GFCCVEGCSA-N 337.387 1.196 0 40 EDAB O=C(CCCn1cccn1)N1CCO[C@H](CCc2ccncn2)C1 257242972 IEYXXUPIMGGWRZ-MRXNPFEDSA-N 329.404 1.314 0 40 EDAB O=C(/C=C/c1ccccc1F)N1CC[C@](O)(CN2CCOCC2)C1 257311285 UITXDMDWHIMDQG-QWNKOJSDSA-N 334.391 1.135 0 40 EDAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc(C)nc(N)n1 257226418 FKOCKVNQIRBWPG-WLLUSJSYSA-N 343.431 1.371 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1cnco1 257279252 OFTMKXLLCZMBNR-AWEZNQCLSA-N 329.356 1.729 0 40 EDAB CO[C@@H]1CCCOC12CCN(C(=O)C1CCN(C(C)=O)CC1)CC2 257271434 MYHWWSYETPQJQK-MRXNPFEDSA-N 338.448 1.432 0 40 EDAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1cccnc1 85467719 JOKRBJIPBASZQN-INIZCTEOSA-N 342.374 1.587 0 40 EDAB CN1C[C@@H](C(=O)Nc2ccc(=O)n(Cc3cccc(F)c3)c2)CC1=O 1615058771 WNVXAJGTLQJWDF-ZDUSSCGKSA-N 343.358 1.453 0 40 EDAB CCCn1cc(CN2CCCN(c3ccnc(N(C)C)n3)CC2)cn1 607145479 WKJOBBDJLPOODZ-UHFFFAOYSA-N 343.479 1.861 0 40 EDAB C[C@H](C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1)n1cccn1 390830681 MQNBTGKXKJDJGC-GDBMZVCRSA-N 347.440 1.833 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 575402335 ASVBLRNBADZAOG-CQSZACIVSA-N 342.424 1.789 0 40 EDAB CC[C@@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 575421146 GSTIWFQYCLHHOY-YPMHNXCESA-N 349.449 1.802 0 40 EDAB Cc1cccc(OC[C@@]2(O)COCCN(Cc3cnccn3)C2)c1 585269373 QOZAPKPBDILWTF-SFHVURJKSA-N 329.400 1.427 0 40 EDAB CNC(=O)C1=NO[C@@]2(CCCN(Cc3ncc(C(F)(F)F)[nH]3)C2)C1 585101197 NARRKTBMGMNVMQ-ZDUSSCGKSA-N 345.325 1.285 0 40 EDAB CCn1cncc1CN1CCOC[C@@](O)(COc2cccc(F)c2)C1 585275224 ASQVRQPQFDNSAM-GOSISDBHSA-N 349.406 1.684 0 40 EDAB Cc1ccccc1S(=O)(=O)N1Cc2ccnn2CC[C@H]1CN(C)C 585097101 HMMDYDNGOUYVBF-INIZCTEOSA-N 348.472 1.716 0 40 EDAB COc1cccc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c1 65620864 GROUFUBYIKQUFF-CQSZACIVSA-N 347.415 1.397 0 40 EDAB O=C([C@H](N[C@H]1CCc2ncnn2C1)c1ccccc1)N1CCCCC1 69561464 FJLVGUZYFVPCOA-FUHWJXTLSA-N 339.443 1.936 0 40 EDAB COc1ccccc1C(C)(C)NCN1C(=O)C(=O)N(CC(C)C)C1=O 69707774 XLVBMBLYLAAWMD-UHFFFAOYSA-N 347.415 1.924 0 40 EDAB CN1CCN(C(=O)CC2CCN(CCc3ccccn3)CC2)CC1 71897208 IHGDURUESVXFAP-UHFFFAOYSA-N 330.476 1.500 0 40 EDAB COc1cc(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)ccc1O 47513387 NGKXZBJTTQEWRE-INIZCTEOSA-N 327.336 1.799 0 40 EDAB Cc1ccc(C(=O)N2CCN(Cn3nnnc3C(C)(C)C)CC2)s1 55035139 CDCYMVYHBIEUEM-UHFFFAOYSA-N 348.476 1.756 0 40 EDAB CCc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C3CC3)CC2)s1 85467044 OWVYHTUTTHCFRR-CQSZACIVSA-N 344.502 1.388 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)C2)n1 75602703 VAIIRNGQQOGTNI-CVEARBPZSA-N 345.447 1.317 0 40 EDAB CCc1n[nH]c([C@H]2CN(Cc3nc(N)c4ccccc4n3)CCO2)n1 89289855 QGYAMORRJWCUDN-CYBMUJFWSA-N 339.403 1.466 0 40 EDAB CCN1CCN([C@@H](C)CNc2ccc(-n3ccc(C)n3)nn2)CC1 89977299 ZFTASYOUBYWKOT-HNNXBMFYSA-N 329.452 1.409 0 40 EDAB COC(=O)c1nc(Br)n(CCCO)c1Br 585123021 QKKSHUJHGKFCQZ-UHFFFAOYSA-N 341.987 1.577 0 40 EDAB Nn1c(SCc2ccc(Cl)cc2)nnc(CCC(=O)O)c1=O 5256963 XMURHYULIWXDAU-UHFFFAOYSA-N 340.792 1.315 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCN2c2ncccc21)NCc1ccccc1 19372672 YQHJACCSSVVNHG-INIZCTEOSA-N 336.395 1.713 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1nc(C)c(F)c(=O)[nH]1 19580373 QORHXGOSIFPURJ-GFCCVEGCSA-N 334.351 1.728 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@@H](Oc2ccncc2)C1 151136031 QQSYHQXCULIOEO-OAHLLOKOSA-N 346.408 1.859 0 40 EDAB O=c1ccc(C(F)(F)F)cn1Cc1cc(=O)n2ccsc2n1 3345806 TYUBQQZNYXUYFD-UHFFFAOYSA-N 327.287 1.985 0 40 EDAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NCC)C1=O 3596112 YLMCDJYSBVMTST-QGZVFWFLSA-N 346.387 1.080 0 40 EDAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2nccn2C)ccn1 1848352001 BTMZMUNUNLIQJY-HNNXBMFYSA-N 327.388 1.429 0 40 EDAB COc1ncccc1C(=O)N1CCN(c2ncnc(C)c2F)CC1 1888844439 DCQAJZYSDJJJII-UHFFFAOYSA-N 331.351 1.290 0 40 EDAB O=C1CN(C2CCN(c3cc(C4CC4)ncn3)CC2)C(=O)N1C1CC1 1888853883 QEMROXYCOLUJMS-UHFFFAOYSA-N 341.415 1.749 0 40 EDAB CCN=c1cc(C)nc(N2CCN(c3cnc4ccccc4n3)CC2)[nH]1 1889186475 FLFOAEAUXOKMEZ-UHFFFAOYSA-N 349.442 1.909 0 40 EDAB Cc1noc([C@@H]2CN(S(=O)(=O)N(C)C)C[C@H]2c2ccccc2)n1 238861969 KWGQJWJCXQLWPJ-UONOGXRCSA-N 336.417 1.367 0 40 EDAB O=S(=O)(c1ccccc1Br)N1Cc2cncnc2C1 96366487 ARYUNMBBIVFCOF-UHFFFAOYSA-N 340.202 1.944 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1 1565552614 PKEDBHMWHRFRHS-XLSPSMHOSA-N 340.423 1.925 0 40 EDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(Cc2ccncc2)CC1 2055746228 CPLMXJBWOAHNBW-UHFFFAOYSA-N 342.447 1.350 0 40 EDAB O=C(c1ccco1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055782063 GMQXMHFNSCGQLY-UHFFFAOYSA-N 342.399 1.634 0 40 EDAB O=C(/C=C/c1cccs1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 575414496 SXHNFHOYZNSULT-MJRJWQSSSA-N 340.412 1.594 0 40 EDAB O=S(=O)(c1ccccc1Cl)N1CCN(c2cnsn2)CC1 585148901 LWQAWDNAVOPFQH-UHFFFAOYSA-N 344.849 1.702 0 40 EDAB CC(C)CS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 585146953 YNTWKKZMRRNZRP-OAHLLOKOSA-N 345.486 1.911 0 40 EDAB Cc1ccnc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)n1 2298045508 YHLBJJOUIGBWAX-UHFFFAOYSA-N 338.415 1.855 0 40 EDAB CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccnn1C)n2C 101335271 MZDSFMQHAKDZQX-FBMGVBCBSA-N 344.396 1.891 0 40 EDAB O=C(NCCc1cccc(F)c1)C1=NN(c2ccccc2)C(=O)CN1 30586593 CWJUFIZCKJGAJU-UHFFFAOYSA-N 340.358 1.434 0 40 EDAB CCOC(=O)c1nn(-c2ccc(C(C)=O)cc2)/c(=N/C(C)=O)s1 75674 CPTOUOLIASCYHT-NXVVXOECSA-N 333.369 1.760 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(NS(=O)(=O)c2cccs2)CC1 30692252 DCRLBFSAIQKSAB-GFCCVEGCSA-N 344.458 1.196 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc2c(c1)OCO2 20375215 HQOWKOSEOAWXLX-UHFFFAOYSA-N 327.340 1.899 0 40 EDAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 31610738 GWCMDARKSUHKHL-ORAHPGNNSA-N 331.825 1.041 0 40 EDAB 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EDAB COC(=O)c1cnn(-c2cc(Oc3ccc(F)cc3)ncn2)c1N 2182948 KKCHIADXIYVWDU-UHFFFAOYSA-N 329.291 1.963 0 40 EDAB O=C(c1ccc[nH]1)N1CC[C@@H]2CN(c3ncccn3)CCO[C@H]2C1 107256406 WYVUBWCLPCAMLG-HIFRSBDPSA-N 327.388 1.172 0 40 EDAB COCC(=O)Nc1ncn(Cc2ccc(Br)cc2)n1 58368279 FOAXWNGLVLQGLK-UHFFFAOYSA-N 325.166 1.674 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(C(=O)NC(C)(C)C)cc1 58378947 MLWUTETUZXUDQM-DOMZBBRYSA-N 345.443 1.941 0 40 EDAB CCC[C@@H]1CCc2c(sc(=O)n2Cc2cc(=O)n(C)c(=O)n2C)C1 171989108 AKAPVYYQGUNKTP-LLVKDONJSA-N 349.456 1.261 0 40 EDAB CCN(CC(=O)NCCn1nc2ccccn2c1=O)c1ccccc1 58369311 RINQHCUPQOXMRL-UHFFFAOYSA-N 339.399 1.139 0 40 EDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCC(=O)NC1CCCCC1)CS2 58380348 MXUIWRVADWHXAB-BLLLJJGKSA-N 339.461 1.006 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1nc(C(C)(C)C)cs1 48278354 UKHHUVHCKVWUCW-UHFFFAOYSA-N 336.417 1.697 0 40 EDAB O=C(/C=C/c1cccs1)N1CCN(C(=O)C2CCOCC2)CC1 36398236 IRENJIUJNISMSN-ONEGZZNKSA-N 334.441 1.859 0 40 EDAB 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0 40 EDAB O=C(CSc1nnnn1C1CCCCC1)NC[C@@H]1CCCO1 14140757 ZRZLRKBEHLWFAZ-LBPRGKRZSA-N 325.438 1.566 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](Cc1ccccc1)c1ccccc1 14199366 HCDMJTZHYDLOEH-KRWDZBQOSA-N 349.390 1.637 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)no1 65620933 GHVICUCQULFSTR-CYBMUJFWSA-N 346.387 1.776 0 40 EDAB CC(=O)NCC(=O)NCC(=O)NC1(c2ccc(Cl)cc2)CCC1 65613570 QJDILJGCZPVGCR-UHFFFAOYSA-N 337.807 1.088 0 40 EDAB COc1cccc(N2CC[C@H](CNC(=O)NC[C@@H]3CCCO3)C2)c1 65608745 OINYCUZSLBURDN-PBHICJAKSA-N 333.432 2.000 0 40 EDAB CCN(CC)C(=O)CSc1nnc(S[C@@H](C)C(N)=O)s1 9608107 NOAWMLMRZQTSAQ-ZETCQYMHSA-N 334.492 1.465 0 40 EDAB CC1(C)NC(=O)N(CC(=O)NCC23CC4CC(CC(C4)C2)C3)C1=O 4516744 FEBWYDUZMQLVGI-UHFFFAOYSA-N 333.432 1.649 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)N1CCCC1 6538937 KGRGXBRGQGFYGT-UHFFFAOYSA-N 329.356 1.660 0 40 EDAB COc1cc(OC)cc(C(=O)NCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 6882311 LLBNTAGRCIIBAI-STQMWFEESA-N 334.416 1.938 0 40 EDAB 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FWCZKNYYOQCSAF-GOSISDBHSA-N 329.400 1.860 0 40 EDAB Cn1ncc2c(=O)[nH]c(NCc3cccc(N4CCCC4=O)c3)nc21 69507724 WWMZZSNRMKHJQQ-UHFFFAOYSA-N 338.371 1.396 0 40 EDAB CN(C)CCN(C(=O)COc1ccc(CC(N)=O)cc1)C1CCCC1 69655942 PNABABYDLGWKMS-UHFFFAOYSA-N 347.459 1.426 0 40 EDAB CN(C)S(=O)(=O)c1ccc(OCCSc2ncccn2)cc1 8541126 QKVWXMPWCIVUFN-UHFFFAOYSA-N 339.442 1.898 0 40 EDAB O=S(=O)(CCOCCO)Cc1cc(Cl)cc2c1OCOC2 69742343 KGQAKPJSNDVROJ-UHFFFAOYSA-N 336.793 1.130 0 40 EDAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 69776449 VCWXNZXFMGZPRT-GXSJLCMTSA-N 340.811 1.100 0 40 EDAB CS(=O)(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 69842736 FCAUSWAFWMGESX-JKSUJKDBSA-N 338.473 1.843 0 40 EDAB Cc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)c(C)n1Cc1ccco1 69978123 GBYWINXWLZRWSO-OAHLLOKOSA-N 345.443 1.885 0 40 EDAB Cc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N1CCc3ccccc3C1)CC2 69951271 LGKJAHKWUIGYCN-SUMWQHHRSA-N 339.443 1.464 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(OCC(F)(F)F)nc1 71829696 YGOJSCCOKDJUHS-KOLCDFICSA-N 345.321 1.749 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@@H]1C 71864761 LCQWOVSSWQFIJE-STQMWFEESA-N 340.855 1.715 0 40 EDAB COc1ccnc(N2CCN(C(=O)CCc3cccs3)CC2)n1 71819925 XIJFDKFBEQYZMV-UHFFFAOYSA-N 332.429 1.828 0 40 EDAB COCCN(C)C(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2)C1 71867503 ANXKWNSCRDOIFJ-CVEARBPZSA-N 347.459 1.830 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)c1 71865865 YDZQLBRJIFBMRS-IRXDYDNUSA-N 344.459 1.831 0 40 EDAB COc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1 8994823 KVLITVMVZOYNAT-UHFFFAOYSA-N 325.324 1.337 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@@H](n2cccn2)C1 71186398 UDKAHUCEDYGNRZ-CQSZACIVSA-N 337.383 1.457 0 40 EDAB C[C@H](C(=O)NCC1CCCCC1)[S@@](=O)Cc1nnnn1C1CC1 71859157 GPXBKBGBEALWGV-QVQLBTGDSA-N 339.465 1.342 0 40 EDAB NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc(Cl)cn2)C1 95398841 XRMAXCFRONUBFV-LBPRGKRZSA-N 344.802 1.843 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cn1 97046884 XRCSCJWITKREBN-CQSZACIVSA-N 333.413 1.846 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 97020700 OJHMFUXEARMSST-OUAUKWLOSA-N 330.372 1.208 0 40 EDAB Cc1cnc(N2CCC[C@H](N(C)C)C2)nc1N1CCC[C@H](N(C)C)C1 84258614 TVIOYQACCORLNZ-IRXDYDNUSA-N 346.523 1.846 0 40 EDAB O=C(CNC(=O)c1cccc(O)c1)Nc1ccccc1-n1cccn1 97162881 SPRMAXGQCFNCKX-UHFFFAOYSA-N 336.351 1.946 0 40 EDAB COc1cccc(C(=O)NC2CCN(C[C@H](O)C(F)(F)F)CC2)c1 97141580 SDDGWPNIGUFUCH-AWEZNQCLSA-N 346.349 1.813 0 40 EDAB CC[C@H](C)n1cnc(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)c1 84727022 AEOPUXTVVIZLEB-YBTHPKLGSA-N 333.479 1.386 0 40 EDAB C[C@H]1CCN(S(=O)(=O)[C@@H]2CCOC2)CCN1Cc1ccccc1 95403763 LALCHDJRLHITJG-DOTOQJQBSA-N 338.473 1.702 0 40 EDAB CNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)c2ccco2)CC1 306126419 DUYYLYYLYJIQCG-UHFFFAOYSA-N 343.387 1.100 0 40 EDAB COC1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 72835149 HKJBFBJWPWYQMN-UHFFFAOYSA-N 331.460 1.836 0 40 EDAB O=C(NCc1nc(-c2ccco2)n[nH]1)[C@@H]1CCCN(C(=O)C2CC2)C1 89797959 KLDXASQCFGUUJV-GFCCVEGCSA-N 343.387 1.330 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 89878651 NCNBXLNFDTUODW-ZDUSSCGKSA-N 337.383 1.526 0 40 EDAB CC(C)CN(CC(=O)O)C(=O)COc1cccc(NC(=O)C2CC2)c1 89840114 WKBFERQCZOVAIO-UHFFFAOYSA-N 348.399 1.983 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(-n3cnnn3)cc2)C12CCC2 89985684 WVFOONWTPAOZSX-HZPDHXFCSA-N 341.415 1.669 0 40 EDAB NC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(-n4cnnc4)cc3)cc12 89996799 PHDFAHDTNGPTLJ-UHFFFAOYSA-N 347.338 1.495 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)C1 89954643 QKPOJFUJSREPKN-GJZGRUSLSA-N 338.477 1.661 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)Nc2ccc(-n3nccn3)cc2)C1 75582400 VNQXTZQMYZDVAH-ZDUSSCGKSA-N 344.375 1.620 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 76046101 KIAJPLAZTACOEG-CYBMUJFWSA-N 340.387 1.847 0 40 EDAB C[S@@](=O)CCN1CCN(C(=O)CCC(=O)c2cccs2)CC1 76020594 KBVQFRNRCPUDIA-QFIPXVFZSA-N 342.486 1.234 0 40 EDAB COCCn1cc(CNC[C@@H]2CCO[C@H]2c2c(C)nn(C)c2C)cn1 76042649 HKHRRDHBDLQSBP-FUHWJXTLSA-N 347.463 1.747 0 40 EDAB Cc1nc(C(=O)N2CCn3c(-c4cnn(C)c4)cnc3C2)cs1 306136663 PZLNDQQLIXSPAU-UHFFFAOYSA-N 328.401 1.705 0 40 EDAB COc1ccc([C@H](NS(=O)(=O)c2cccnc2)C(=O)O)cc1F 547891319 WGQQKSIGKJGJQZ-ZDUSSCGKSA-N 340.332 1.334 0 40 EDAB CCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408708936 NKBWMAFJSXJLOS-UHFFFAOYSA-N 329.356 1.674 0 40 EDAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccnc1 71980363 XCEVSOMLJFCQBX-AWEZNQCLSA-N 333.388 1.209 0 40 EDAB CNC(=O)CCc1cc(C)nc(C2CCN(CC(=O)N(C)C)CC2)c1 72360502 IOYOAVVVKWDNPX-UHFFFAOYSA-N 346.475 1.336 0 40 EDAB O=C(O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326457 YZBUTCZJOYLUPQ-HNNXBMFYSA-N 337.763 1.289 0 40 EDAB Cn1cccc1[C@@H](CNC(=O)NCc1cccs1)N1CCOCC1 38676047 NCJXNGJYUHLVAK-MRXNPFEDSA-N 348.472 1.959 0 40 EDAB COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 36626130 IRXFSUCMLDEICV-KRWDZBQOSA-N 326.396 1.790 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)[C@@H]2CCCS2(=O)=O)cc1 565159050 YREWHXOBUFXHDG-HNNXBMFYSA-N 325.430 1.710 0 40 EDAB O=C(CNCc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2 35311491 UGQZXUUYWGGIGC-UHFFFAOYSA-N 328.324 1.872 0 40 EDAB O=C(CSCc1ccccc1F)NCCCN1CCOCC1 222704681 KLCDPMYMJAGYLR-UHFFFAOYSA-N 326.437 1.897 0 40 EDAB Cc1ccc(CCNC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)cn1 80205014 MRWBPATXPGCPOG-CQSZACIVSA-N 336.399 1.963 0 40 EDAB COc1cccc2sc(N3CC(OC(=O)C4=COCCO4)C3)nc12 75166574 LHDNRRAWTYTGSK-UHFFFAOYSA-N 348.380 1.925 0 40 EDAB O=C1NC2(CCOCC2)C(=O)N1Cc1cccnc1C(F)(F)F 530102103 BKGFASMKHFLSDJ-UHFFFAOYSA-N 329.278 1.701 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnnn1CC 21734014 QIZLHFRHPZCIGW-UHFFFAOYSA-N 337.405 1.790 0 40 EDAB O=c1c2c3c(nn2cnn1C[C@H]1COc2ccccc2O1)CCCC3 225585103 FNAGDMFWXGTJBZ-LBPRGKRZSA-N 338.367 1.610 0 40 EDAB Cn1ncc2c(N)nc(N3C[C@H](O)C[C@@H]3c3ccc(F)cc3)nc21 581831715 WMCLYJINGFCSCY-DGCLKSJQSA-N 328.351 1.397 0 40 EDAB Cn1ccc(C(=O)N2CCOC[C@H]2c2nccc(N3CCCC3)n2)n1 96218466 AIZDROKASWGMRY-AWEZNQCLSA-N 342.403 1.024 0 40 EDAB CCN1C[C@@]2(CC1=O)CN(Cc1ccsc1)CCN(C(C)=O)C2 97952775 BWSHFJPGNNYKPL-QGZVFWFLSA-N 335.473 1.651 0 40 EDAB CCc1noc(CN(C)C(=O)CCN2C(=O)CCc3ccccc32)n1 96414394 KVLJJMOFYSSRBL-UHFFFAOYSA-N 342.399 1.960 0 40 EDAB C[C@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 583622981 CDDYXJLPQCRDGS-YIYPIFLZSA-N 336.436 1.530 0 40 EDAB CC(C)C[C@H](NC(=O)COc1ccccc1)C(=O)NCCN(C)C 95883194 MOXOISAECHAMOK-INIZCTEOSA-N 335.448 1.274 0 40 EDAB O=C1CCCN1Cc1ncn2c1CN(Cc1cccnc1)CCC2 96259395 ASFFUJFRLWICBZ-UHFFFAOYSA-N 325.416 1.806 0 40 EDAB O=C(CC1CC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCCCn1cccn1 96041854 ADLRKAWFIZJFLB-LZLYRXPVSA-N 333.432 1.848 0 40 EDAB CC(C)N1C(=O)C[C@H](NC(=O)c2sccc2Br)C1=O 96450273 HRAUFEIOXOUYNS-QMMMGPOBSA-N 345.218 1.776 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CN(Cc3nccs3)[C@@H]3CCCO[C@H]23)cn1 96185921 OCQOLARSEPPWKZ-UMVBOHGHSA-N 347.444 1.038 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCCN2c2nc(C(F)(F)F)cs2)CC1 95428429 PYRWKCZSNNWYCF-JTQLQIEISA-N 348.394 1.905 0 40 EDAB O=C(Cc1ccsc1)N1CCn2c(Cn3cccn3)cnc2C1 96201113 ZPEDXWCRUDSOMT-UHFFFAOYSA-N 327.413 1.774 0 40 EDAB Cn1ccnc1CN1CCc2c(CNC(=O)C3CC3)cncc2C1 96189493 KRRZJRCQRLKQBM-UHFFFAOYSA-N 325.416 1.400 0 40 EDAB Cc1cnc(N2CCC[C@]3(CO[C@@H](C(=O)NC4CCC4)C3)C2)nc1 96074313 QVFRNYRBOADMCG-CRAIPNDOSA-N 330.432 1.829 0 40 EDAB O=S(=O)(C1CC1)N1C[C@@H]2CCCO[C@@H]2[C@H](Nc2ccccn2)C1 97953512 FKVBVUOLVDSZDU-BJJXKVORSA-N 337.445 1.465 0 40 EDAB Cc1noc(C)c1CN1CCC2(CC1)NC(=O)C[C@H]2c1cnn(C)c1 96199769 JASIFTDDJOHLFP-INIZCTEOSA-N 343.431 1.663 0 40 EDAB COc1ncnc2c1CN([C@@H](C)c1nc3ccccc3c(=O)[nH]1)CC2 97202200 MSAZUEVDMCJJTK-NSHDSACASA-N 337.383 1.841 0 40 EDAB O=C(c1ccncc1)N1CC2(C1)OCC[C@H]2COCC1CCOCC1 247842890 FZCNHBVPDCMZAA-KRWDZBQOSA-N 346.427 1.756 0 40 EDAB O=C(COC1CCCC1)N1Cc2ccnn2[C@H](CN2CCCC2)C1 247741226 OLRYCBYKLYERQT-MRXNPFEDSA-N 332.448 1.821 0 40 EDAB C[C@H]1CCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CCS1 249011878 JQGMUVPSFPHRMQ-DTWKUNHWSA-N 327.372 1.590 0 40 EDAB Cc1cnc(C(=O)N2C[C@@H](O)[C@H](N3CCc4ccccc4C3)C2)cn1 257277007 NWBIXKJAOREBIX-QZTJIDSGSA-N 338.411 1.029 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccnc(C)n3)CCO2)n1 257297527 RHQXPIJDTCEXHP-KRWDZBQOSA-N 341.415 1.768 0 40 EDAB c1ccc(CN2CCOC[C@@]3(CC[C@@H](CN4CCCC4)O3)C2)nc1 253596539 SNDXCMOLZYGYGD-RBUKOAKNSA-N 331.460 1.927 0 40 EDAB O=S(=O)(Nc1nc2cnccn2n1)c1ccc2c(c1)CCCC2 585129330 FZEKHNWXKYGKGU-UHFFFAOYSA-N 329.385 1.804 0 40 EDAB CCCCOc1ncccc1CNC(=O)C[C@@H]1CCCS1(=O)=O 585122184 POWDQJPBOUNPHT-AWEZNQCLSA-N 340.445 1.844 0 40 EDAB CNC(=O)[C@H]1CNCCN1C(=O)c1cccc(Oc2ccccc2)c1 257264292 LTTKVJDJMAYMEK-QGZVFWFLSA-N 339.395 1.639 0 40 EDAB NCCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1 257241284 HXLKVFIZFXRQTQ-UHFFFAOYSA-N 327.388 1.067 0 40 EDAB Cc1ccnc([C@H]2CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1 257262111 LKCGIGKEHISWNH-HNNXBMFYSA-N 334.383 1.995 0 40 EDAB Nc1cc(CC[C@H]2CN(C(=O)CCCn3cccn3)CCO2)ccn1 257211880 CAXMKJULUTWJJL-INIZCTEOSA-N 343.431 1.501 0 40 EDAB CN(C)Cc1cnc([C@H]2CN(C(=O)CCc3cccnc3)CCO2)[nH]1 257334146 YESIBDBRFDGSOE-MRXNPFEDSA-N 343.431 1.399 0 40 EDAB Cc1cccc(N2CCC[C@@H](NC(=O)Cn3nc(C)cc3C)C2)n1 257205488 AZHLDLSRUCOZTA-MRXNPFEDSA-N 327.432 1.989 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2Cc2ccc(C(=O)O)cc2)n1 257272871 NEEGYGPVILLJHO-OAHLLOKOSA-N 329.356 1.762 0 40 EDAB COCCn1cc(CNC(=O)N[C@@H](C)c2nnc3ccccn23)cn1 252493582 NDHFMHLZNPRTDS-LBPRGKRZSA-N 343.391 1.133 0 40 EDAB O=C(NC1CCN(c2cccnn2)CC1)[C@@H](C1CC1)N1CCCC1 277460929 GNKXEUZPSUCVFH-QGZVFWFLSA-N 329.448 1.436 0 40 EDAB CN(C)S(=O)(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 90678801 HQEFONYBODUSND-UHFFFAOYSA-N 336.417 1.279 0 40 EDAB COC(=O)c1cn(CCNC(=O)Nc2ccc3nc(C)oc3c2)nn1 285519566 OITAFHWVEFPOLO-UHFFFAOYSA-N 344.331 1.336 0 40 EDAB O=C(c1ccccc1Cl)N1CCC(N2C(=O)COCC2=O)CC1 575607540 IPOHBYAHKCMKFJ-UHFFFAOYSA-N 336.775 1.330 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)C3CCC3)C[C@H]12)c1ccncc1 575404597 SIBFJHSKCIWGBR-ARFHVFGLSA-N 329.400 1.085 0 40 EDAB Cc1cncc(C(=O)N2CC3(CC[C@H](CN4CCCC4=O)CO3)C2)c1 575406145 WSDQUDWGFFKGGS-OAHLLOKOSA-N 343.427 1.634 0 40 EDAB O=C(c1ccon1)N1CCOC[C@](O)(COc2cccc(F)c2)C1 585269087 JXFBFCJZFYUGFS-INIZCTEOSA-N 336.319 1.096 0 40 EDAB CO[C@H]1CN(C(=O)CN2CCOCC2)CC[C@@H]1Cc1ccccc1 585280086 YHZBIXHBNDSZJW-MSOLQXFVSA-N 332.444 1.425 0 40 EDAB CCN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@@H](C)Cc1ccc(OC)cc1 66805385 NBFSBAATDBPFNN-ZFWWWQNUSA-N 339.457 1.909 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 67815852 HZNXHTMOXSMRAU-INIZCTEOSA-N 332.425 1.994 0 40 EDAB Cc1ccc(C(=O)NCC(=O)N2CCC(C3OCCO3)CC2)cc1C 69276513 NOITWNQVBPSINT-UHFFFAOYSA-N 346.427 1.645 0 40 EDAB COCCNC(=O)NC1CCN(C(=O)Cc2cccc(OC)c2)CC1 69351001 QURPVQZMTIEHHW-UHFFFAOYSA-N 349.431 1.174 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnnn1C1CCOCC1 69586412 ZKUBHEQRGSRCOI-WCQYABFASA-N 339.465 1.812 0 40 EDAB CN(c1ccc(CN[C@H](C(N)=O)c2ccccc2)cc1)S(C)(=O)=O 71897497 SLIDBQBBKKZROV-INIZCTEOSA-N 347.440 1.399 0 40 EDAB O=C([C@H]1CCOC1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776008069 WKPXMXDBPFFCIB-JTQLQIEISA-N 343.305 1.312 0 40 EDAB CN1CCO[C@H](CNC(=O)Cc2ccc(F)c(Br)c2)C1 58296240 KQMSCKCQOVYDGZ-LLVKDONJSA-N 345.212 1.578 0 40 EDAB Cc1cc(CN2CCN([C@@H](C)C(=O)NCc3cccs3)CC2)no1 58415334 HSYJINXXQNBMTR-AWEZNQCLSA-N 348.472 1.867 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H](C)c1ccncc1 75121440 PELSSPCLTDZFEG-GFCCVEGCSA-N 349.394 1.955 0 40 EDAB CCN(C(=O)Nc1cc(OC)ccc1OC)[C@H](C)CS(C)(=O)=O 75611079 KXDALBKLFQVDGZ-LLVKDONJSA-N 344.433 1.991 0 40 EDAB CC[C@@H](C(=O)NCCc1nc2c(F)cccc2n1C)N1CCCC1=O 81042398 XAJSHXJNUTVDDM-ZDUSSCGKSA-N 346.406 1.772 0 40 EDAB O=C(CC1CCCC1)N1CCCN(c2ccc3nncn3n2)CC1 555837890 JGGRUQSEWFVRBW-UHFFFAOYSA-N 328.420 1.743 0 40 EDAB O=C(O)[C@H]1CS[C@H](c2cc3c(cc2Br)OCO3)N1 5730948 UDKXIQLKNNYCCI-GMSGAONNSA-N 332.175 1.966 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)CC(N)=O)cc1 12930766 DCCSFUXFCISXFK-GFCCVEGCSA-N 327.450 1.071 0 40 EDAB C[C@H](S[C@@]1(C)OC(=O)c2ccccc2O1)C(=O)NCC(=O)O 13889553 DXSXAJGKYKXYMX-RMLUDKJBSA-N 325.342 1.232 0 40 EDAB in-man COCc1[nH]c2[nH]n(-c3ccc(OC)cc3)c(=O)c2c(=O)c1Cl 17070667 SHYUDIDRYVIYMP-UHFFFAOYSA-N 335.747 1.816 0 40 EDAB Cn1nccc1C(=O)N1C[C@H]2CCc3nnc(-c4ccccc4)n3[C@H]2C1 19289171 RYJWICUDQKUHBJ-ZBFHGGJFSA-N 348.410 1.938 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2cc(Br)c[nH]2)no1 19357985 RSADCPBKUYLOIA-UHFFFAOYSA-N 328.122 1.869 0 40 EDAB Cc1noc(C)c1C(=O)N1CC[C@H](S(=O)(=O)Cc2ccco2)C1 206693198 DPLWSJDULARRRG-ZDUSSCGKSA-N 338.385 1.714 0 40 EDAB C[C@](O)(CNC(=O)c1ccccc1S(=O)(=O)C(F)F)C1CC1 206710466 ZILHJWNNXTXMAF-AWEZNQCLSA-N 333.356 1.574 0 40 EDAB COc1ccccc1CN1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 102760414 BKMHUUBXIWDSNK-QGZVFWFLSA-N 345.443 1.350 0 40 EDAB Cc1ccc(N2CC(N(C)C(=O)c3onc4c3CCCC4)C2)nn1 1888844091 XAVWRKUXTAYGMF-UHFFFAOYSA-N 327.388 1.613 0 40 EDAB CCc1ncnc(N2C[C@@H]3CN(Cc4nnc(C)o4)C[C@@H]3C2)c1F 1888856892 VRMWSCBSJCLHAD-TXEJJXNPSA-N 332.383 1.438 0 40 EDAB CN(c1ncc(Cl)cn1)C1CCN(c2ccc3nncn3n2)CC1 1889138798 DBSGMUWIPKSGGE-UHFFFAOYSA-N 344.810 1.673 0 40 EDAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCCn1ccnc1 22326777 WDCDOGCSOMMEED-AWEZNQCLSA-N 330.413 1.893 0 40 EDAB O=C(CN1CCCC1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037909023 NCKSVGKHHMRUOK-SFHVURJKSA-N 336.407 1.654 0 40 EDAB Cc1ncnc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3C2)c1C 1565556605 WWQVDBOSOCPLQO-UHFFFAOYSA-N 349.398 1.482 0 40 EDAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)n1 2709438 XEQLOETVRJXVHG-UHFFFAOYSA-N 332.385 1.934 0 40 EDAB COCCCNC(=O)C(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2 5252446 HGFYOSYEPNXCOF-UHFFFAOYSA-N 333.388 1.077 0 40 EDAB COCCNC(=O)C1(Nc2nccs2)CCN(C(C)C)CC1 2055738771 PPNWLCUHTMYIJX-UHFFFAOYSA-N 326.466 1.561 0 40 EDAB O=S(=O)(NCCn1ccnc1-c1cnccn1)c1ccccc1 575608851 HFOIIWHUYGHNDX-UHFFFAOYSA-N 329.385 1.319 0 40 EDAB COc1ncccc1C(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 49031273 XPMQHUBNODNJBQ-CQSZACIVSA-N 347.440 1.643 0 40 EDAB Cc1csc(CNC(=O)Cn2cc(Br)ccc2=O)n1 30036671 HJWXHUDRTKRYRK-UHFFFAOYSA-N 342.218 1.692 0 40 EDAB O=C(CNS(=O)(=O)N1CCCCCC1)NCc1ccccc1 30445411 UWYZFXVRERUPIP-UHFFFAOYSA-N 325.434 1.013 0 40 EDAB Cc1cc(=O)n2nc(NCCCN3C[C@H](C)O[C@H](C)C3)sc2n1 40489716 PSTANOKLYCXFHH-TXEJJXNPSA-N 337.449 1.371 0 40 EDAB COCCn1nc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)ccc1=O 40534961 ZSEZPWHKFLPWNB-UKRRQHHQSA-N 337.420 1.215 0 40 EDAB CCCOc1ccc(C(=O)N2CCN(C(=O)CN(C)C)CC2)cc1 40522923 DKTQZWQQKVGUHZ-UHFFFAOYSA-N 333.432 1.321 0 40 EDAB C[C@H](C(=O)NCc1ccc(N2CCCCCC2)nc1)S(C)(=O)=O 40541532 YDTMSWOQCAXPLD-CYBMUJFWSA-N 339.461 1.511 0 40 EDAB CCCCN(C)S(=O)(=O)NCc1ccc(N2CCCC2)nc1 40511341 IFKWEYWPAZMUTN-UHFFFAOYSA-N 326.466 1.748 0 40 EDAB Cc1ccc(CNC(=O)[C@@H](C)S(=O)(=O)Cc2cc(C)on2)cc1 40528906 KUGRDTYAZRDCCA-CYBMUJFWSA-N 336.413 1.911 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)NCC2(c3ccccc3)CC2)CC1 40553492 KDHCHOIWFGSWTA-UHFFFAOYSA-N 337.445 1.005 0 40 EDAB O=C(NCCCOc1ccccc1F)NC[C@H]1CCS(=O)(=O)C1 40501941 WSTVEWQXZDVPPC-GFCCVEGCSA-N 344.408 1.329 0 40 EDAB COC[C@H](C)NC(=O)c1cn(-c2ccccc2Br)nn1 40506106 HLVJHVLCJYHOQJ-VIFPVBQESA-N 339.193 1.795 0 40 EDAB CSc1nc2n(n1)[C@H](c1ccc3c(c1)OCCO3)C=C(C(=O)O)N2 101446999 JCCYIIRUXILYCK-JTQLQIEISA-N 346.368 1.755 0 40 EDAB CCNC(=O)N1C(=O)C2(OCCO2)c2cc(Br)ccc21 298186 GFKSIMTUOOJQFN-UHFFFAOYSA-N 341.161 1.725 0 40 EDAB COC(=O)c1ccc(CNC(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 101855964 ADAWEUHCYBVIDX-CWRNSKLLSA-N 343.379 1.845 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)NCCc1ccccn1 21439641 DPJWRBCETOLMRN-UHFFFAOYSA-N 328.397 1.602 0 40 EDAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCCC2)o1 32818109 ZKWBQUMBCXTNAB-UHFFFAOYSA-N 326.296 1.356 0 40 EDAB Cc1ccc(CCCNC(=O)NC2CCN(CC(N)=O)CC2)c(C)c1 32802724 UOVFZBJINOYFQU-UHFFFAOYSA-N 346.475 1.485 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cn2)n1 32977345 ITLNJOYZAPPCSM-CQSZACIVSA-N 348.428 1.143 0 40 EDAB CC(=O)N[C@H](C(=O)NCCNc1ncnc2sccc12)C(C)C 32928036 MHNLPXAGHIPGLZ-LBPRGKRZSA-N 335.433 1.380 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2ccncc2)CC1 54191277 BYPZTITVCHYVTB-UHFFFAOYSA-N 341.459 1.709 0 40 EDAB CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)N[C@@H](C)Cn2ccnc2)C1 78747991 MPZGIPKVJJWDDB-HRCADAONSA-N 349.479 1.998 0 40 EDAB CCCc1nc([C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)CCO2)n[nH]1 78894346 IDBSFAFRDRBXNW-LSDHHAIUSA-N 349.479 1.920 0 40 EDAB CN(C)c1cc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)ccn1 78986797 JCGBJGDVNLBCGU-JTQLQIEISA-N 330.310 1.041 0 40 EDAB O=C1CC(=O)N(CCc2ccncc2)C(=O)N1CCc1ccncc1 1768360 KLWQWPUYNMSNRV-UHFFFAOYSA-N 338.367 1.443 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 23886202 ZFXXDBMLPBWWTA-RDVIWEACSA-N 340.489 1.886 0 40 EDAB O=C(NCc1ccc(CN2CCOCC2)cc1)Nc1nncs1 43129717 HZZDHEZHFNUKGI-UHFFFAOYSA-N 333.417 1.692 0 40 EDAB CCCn1nnnc1SCC(=O)Nc1ccc(OC)cc1OC 4882725 DCADRZISOZMLQS-UHFFFAOYSA-N 337.405 1.831 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 43283471 NZTCBXWTEXDPNP-YPMHNXCESA-N 332.360 1.412 0 40 EDAB O=C(N[C@H](Cc1ccccc1)C(=O)O)[C@H]1CC(=O)N(CC2CC2)C1 95350084 QMAVCJCHQYPOHB-LSDHHAIUSA-N 330.384 1.057 0 40 EDAB Cc1ccc([C@@H]2[C@@H](C(=O)NCCCN(C)C)CCC(=O)N2C)cc1 57355919 CFZTZPBRGRWIIC-FUHWJXTLSA-N 331.460 1.972 0 40 EDAB CC(C)N1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 25137624 ZDRSBZJJKBTUGP-UHFFFAOYSA-N 332.379 1.088 0 40 EDAB CNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 8328197 WDDLLXUHRMPVEI-KRWDZBQOSA-N 346.387 1.033 0 40 EDAB CCCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 107312101 HMCHVVNLYOGWCL-KCQAQPDRSA-N 328.478 1.743 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)CN(CC1CC1)C[C@]21CCNC1=O 107248073 QHSLJJPWIBWKND-IIMJZQEZSA-N 345.487 1.483 0 40 EDAB Cc1ccnc(-n2cc(S(=O)(=O)N3C[C@@H](C)OC[C@H]3C)cn2)c1 107531388 XFNUOMFJHMQCET-CHWSQXEVSA-N 336.417 1.374 0 40 EDAB O=C(NCCn1ccnc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 43946265 RFIGQUVVXWACCG-MRXNPFEDSA-N 326.400 1.091 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@]2(CCCN(Cc3cnn(C)c3)C2)C1 107228843 ZALLUBJAVLKOLJ-SJLPKXTDSA-N 342.447 1.470 0 40 EDAB CC(C)(C)Nc1nc(Oc2ccc(O)nn2)nc(N2CCOCC2)n1 9556684 PAOXHAYYHHZUJM-UHFFFAOYSA-N 347.379 1.207 0 40 EDAB CN(CCOc1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 48253461 PPFAMDTUIDRHSI-LBPRGKRZSA-N 330.381 1.033 0 40 EDAB O=C(Cc1ccccc1)NCCC(=O)N1CCC[C@H]1C(=O)NC1CC1 44891244 UBDSSDWXDKJMPP-INIZCTEOSA-N 343.427 1.005 0 40 EDAB CCN1CCC(N(C(=O)CNC(=O)NCc2ccco2)C2CC2)CC1 58260841 OCSLTZNKHHHKBU-UHFFFAOYSA-N 348.447 1.554 0 40 EDAB COc1ncccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 44954531 NQGIPASTTQSCDZ-LBPRGKRZSA-N 326.356 1.472 0 40 EDAB Cc1nc(C)c(CC(=O)Nc2ccc(-n3ccnc3C)nc2)c(=O)[nH]1 44978229 ISCLNABYRBEAJL-UHFFFAOYSA-N 338.371 1.457 0 40 EDAB COCCn1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 57428557 SGUBPXQTAGKAOC-GFCCVEGCSA-N 336.413 1.205 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCCCC1 3327051 FKJLVEFNRXYQFX-SFHVURJKSA-N 343.383 1.229 0 40 EDAB Cc1ccccc1CN1CCC(NC(=O)Cn2ccccc2=O)CC1 48300088 GAKSYAOFKLZWFK-UHFFFAOYSA-N 339.439 1.938 0 40 EDAB COC(=O)Cn1c(SCc2nonc2C)nc2ccccc2c1=O 36612103 IYHADTAQXMLFMX-UHFFFAOYSA-N 346.368 1.553 0 40 EDAB Cc1cc(=O)c(C(=O)N2CCO[C@@H](C)C2)nn1-c1ccccc1F 11499533 PTHMMHVMPZKDLH-LBPRGKRZSA-N 331.347 1.541 0 40 EDAB CC(=O)c1ccc(N2C(=O)[C@H]3ON=C(c4cccnc4)[C@@H]3C2=O)cc1 101358978 SMOFNUDLCMBJKP-HOCLYGCPSA-N 335.319 1.577 0 40 EDAB Cc1nc(CN2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)c[nH]1 108524927 VXDRZUJKRMPDJR-UHFFFAOYSA-N 328.420 1.236 0 40 EDAB COc1cc(/C=C/C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc(OC)c1 12925900 MWMHCFTVFQHZJY-APHBUQMISA-N 339.413 1.410 0 40 EDAB N=C1NC(=O)[C@@H](CC(=O)Nc2ccccc2Br)S1 9360950 YCUUOAWUIUWPDR-MRVPVSSYSA-N 328.191 1.944 0 40 EDAB O=C(O)c1cc(NS(=O)(=O)c2cncc(F)c2)c(F)cc1F 65280437 GIFSZRLCUBKEBC-UHFFFAOYSA-N 332.259 1.998 0 40 EDAB COc1ccc(C)cc1CN1CCN(C(=O)[C@H](C)n2cncn2)CC1 65399438 ZUNPRPUNUVAWJU-HNNXBMFYSA-N 343.431 1.501 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 65396416 KNAROEKFBIAZPA-GFCCVEGCSA-N 335.429 1.569 0 40 EDAB CC(=O)Nc1nc(CN2CCc3ncnc(N(C)C)c3C2)cs1 65478787 OJGKPIXVTUVHCY-UHFFFAOYSA-N 332.433 1.516 0 40 EDAB CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 65437582 NUWFBKJMPBQNBK-DZGCQCFKSA-N 341.415 1.524 0 40 EDAB O=C(O)c1cc(S(=O)(=O)Nc2ccn(Cc3cccnc3)n2)c[nH]1 65577639 QHVLDWORROOHEV-UHFFFAOYSA-N 347.356 1.154 0 40 EDAB CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1 65552058 NNRCHNOGNGBCEI-ZDUSSCGKSA-N 328.459 1.617 0 40 EDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCCO1 14125050 IENHTDDKAQLHQQ-GFCCVEGCSA-N 341.205 1.991 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)CN(C)c2cnccn2)c1 65608770 IIVXQBWDYHEAIB-UHFFFAOYSA-N 327.432 1.681 0 40 EDAB Cc1ccc2cccc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2n1 14358760 IIBBFZVRKPTWPM-CYBMUJFWSA-N 334.397 1.225 0 40 EDAB Cc1cccc(CS(=O)(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1 95457693 ZMACVTDBDZVUEI-HOTGVXAUSA-N 325.430 1.753 0 40 EDAB CCCNC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 4711139 JEVRACHMADZTLV-UHFFFAOYSA-N 337.395 1.017 0 40 EDAB COC(=O)CNC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 6759981 HSSDGXALPXFEQK-UHFFFAOYSA-N 326.374 1.708 0 40 EDAB O=C(CN1CC(=O)Oc2ccccc21)Nc1ccc(C(=O)O)cc1 6721399 XRHQLEZLCRYAKE-UHFFFAOYSA-N 326.308 1.749 0 40 EDAB CSC[C@@H](C)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 66765238 UBQONUHVYBDGAI-CQSZACIVSA-N 349.500 1.941 0 40 EDAB CCN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@H](C)Cc1ccc(OC)cc1 66805384 NBFSBAATDBPFNN-UKRRQHHQSA-N 339.457 1.909 0 40 EDAB COCCn1cnc2ccc(NC(=O)c3c(C)noc3C)cc2c1=O 95480073 KCFDLFUDHPZFDC-UHFFFAOYSA-N 342.355 1.900 0 40 EDAB NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccc(F)c2)CC1 71768181 DJNJEKLYNVWDPU-UHFFFAOYSA-N 333.407 1.772 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)CNC(=O)c1ccc(C)cc1 15556990 ITGXHBIZDCSNKL-ZDUSSCGKSA-N 338.429 1.136 0 40 EDAB COc1ccccc1OCCC(=O)N1C(=O)c2cccc(N)c2C1=O 7276590 QVUDTRSZXVHQDV-UHFFFAOYSA-N 340.335 1.869 0 40 EDAB COc1cc(C[C@@H]2NS(=O)(=O)c3ccccc3[C@@H]2O)ccc1O 9576237 HZJAOOQVUXJFHN-LRDDRELGSA-N 335.381 1.337 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Nc2cccc(COC)c2)CC1 71856965 QRZFBRCESAXLSU-UHFFFAOYSA-N 341.433 1.332 0 40 EDAB COc1ccnc(N2CCN(C(=O)N[C@@H](C)c3ccc(C)o3)CC2)n1 71803904 FMBVQNWEEAQVIP-ZDUSSCGKSA-N 345.403 1.979 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2cc(C)nn2C)C(N)=O)cc1 71841581 VWSWZYWSJAFYFA-AWEZNQCLSA-N 344.415 1.201 0 40 EDAB O=S1(=O)CC[C@@H](N(CCn2cccn2)Cc2cccs2)C1 71824693 RIJGMHYMSMYVKT-CYBMUJFWSA-N 325.459 1.634 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)Nc3c(C)n[nH]c3C)C2)n1 71877643 SGZDKGCDOXXNET-HNNXBMFYSA-N 345.451 1.586 0 40 EDAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 16099580 WQVOSMBWHNHNAZ-UHFFFAOYSA-N 330.362 1.274 0 40 EDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1 16093121 MJNNZFGZTBUCGH-SNVBAGLBSA-N 332.809 1.699 0 40 EDAB CC(=O)c1c(F)cccc1NC1CCN(CCS(C)(=O)=O)CC1 68766963 BNGKWLLUPJPYMZ-UHFFFAOYSA-N 342.436 1.949 0 40 EDAB CCc1nn2c(=O)c(NC(=O)c3ccc(OC)cc3)cnc2s1 408604895 JBJPJNPZUWNIMJ-UHFFFAOYSA-N 330.369 1.974 0 40 EDAB CN(C)C(=O)c1cccc(CN2CCO[C@@H](Cn3cccn3)C2)c1 69436642 JRHUDVYPWQUPBN-QGZVFWFLSA-N 328.416 1.486 0 40 EDAB CNC(=O)[C@H]1CCCN1C(=O)NCc1c(F)c(F)cc(F)c1F 95436996 AZYGTTNNXVNKNE-SNVBAGLBSA-N 333.285 1.663 0 40 EDAB COc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2nc(C)no2)C1 69588480 DLPLSIIRWAHSDL-GFCCVEGCSA-N 344.371 1.731 0 40 EDAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCN1CCN(C(C)=O)CC1 69510615 MYHVOVXLBUVLRA-IRXDYDNUSA-N 345.443 1.079 0 40 EDAB O=C(Nc1cc(CC2CCCCC2)n[nH]1)[C@H]1CCS(=O)(=O)C1 69520831 XTGXKOZYRHLDSC-LBPRGKRZSA-N 325.434 1.906 0 40 EDAB C[C@@H](C(=O)NCCNS(C)(=O)=O)c1c(Cl)cccc1Cl 69531363 GAYPAZGQEOCBLO-MRVPVSSYSA-N 339.244 1.762 0 40 EDAB CCC(C)(C)NC(=O)CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 69518954 BRJKWKBFTHOTMM-GFCCVEGCSA-N 341.477 1.632 0 40 EDAB C[C@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)C(=O)NC(N)=O 69659844 RXNCHVUHZSQWHF-GXSJLCMTSA-N 325.340 1.379 0 40 EDAB COCCN1CCC[C@H](NS(=O)(=O)c2ccc(Cl)s2)C1 69654909 SHOKIWGGNDZBSB-JTQLQIEISA-N 338.882 1.791 0 40 EDAB CC[C@@H]1CN(C[C@H](O)CN2CCC(C)CC2)CCN1CCOC 69739230 HZTMICLIZCJDJM-QZTJIDSGSA-N 327.513 1.122 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)nc2n1 69849075 BYLNNHNKVWTUCC-CYBMUJFWSA-N 325.376 1.452 0 40 EDAB CCN1CCN(CC(=O)N[C@H](c2ccc(C)o2)C(C)(C)C)C(=O)C1=O 69925430 FDCAKEZKCVFCRH-OAHLLOKOSA-N 349.431 1.482 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2ccccc2-n2cccn2)C1 97051604 GKBXBOBHZBDXBL-OAHLLOKOSA-N 334.445 1.386 0 40 EDAB O=C(NCc1ccco1)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408976076 PDMCQJHRAQQQHX-UHFFFAOYSA-N 348.318 1.800 0 40 EDAB CCOCCCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 8939712 YZFXJKGXTJJLIV-MLGOLLRUSA-N 325.409 1.030 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 72253333 AKHSECHBAJOJSV-GFCCVEGCSA-N 332.379 1.354 0 40 EDAB C[S@](=O)CCN1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1 72294441 PRXIZNQQKNPEEZ-XMMPIXPASA-N 348.512 1.631 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(c2noc(-c3ccccc3)n2)CC1 97163239 XADBNVZVSLTMBB-ZDUSSCGKSA-N 341.415 1.526 0 40 EDAB Cc1cc(C)c(CNC(=O)N2CCN(CCC(C)C)CC2)c(=O)[nH]1 75117931 SJCSQQDYOPVVPP-UHFFFAOYSA-N 334.464 1.865 0 40 EDAB COc1c(F)cc(NC(=O)NCCc2nnc3n2CCC3)cc1F 75104790 CDJAFBSPQAAAGH-UHFFFAOYSA-N 337.330 1.875 0 40 EDAB COCCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 21108951 FUXSYRUOWQOZMA-UHFFFAOYSA-N 326.418 1.255 0 40 EDAB O=C(NCc1nc(-c2ccco2)n[nH]1)[C@H]1CCCN(C(=O)C2CC2)C1 89797961 KLDXASQCFGUUJV-LBPRGKRZSA-N 343.387 1.330 0 40 EDAB O=C(C1CCN(c2ncccn2)CC1)N1CCC[C@@H](n2cncn2)C1 75583616 VOFOZNMLBRFSJJ-OAHLLOKOSA-N 341.419 1.148 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)n1 76067935 CTKQOJKZILYUOP-OAHLLOKOSA-N 339.399 1.917 0 40 EDAB CC(=O)N1CCC(CN2CCc3nn(C(C)C)c(=O)cc3C2)CC1 76065006 XYCBMQDKGLPHQF-UHFFFAOYSA-N 332.448 1.441 0 40 EDAB Cn1c(=O)ccn(CC(=O)N2CCCCC[C@H]2c2ccco2)c1=O 76496519 HOGDGHUDRUVJHO-ZDUSSCGKSA-N 331.372 1.284 0 40 EDAB Cc1cc(O)ccc1CC(=O)NC1CCN(C[C@H]2CCOC2)CC1 1548650639 XKHLXXSEPAUBGF-OAHLLOKOSA-N 332.444 1.860 0 40 EDAB c1cnc(N2C[C@@H]3OC[C@H](CCOCc4ccncc4)[C@@H]3C2)nc1 306139981 UGBDBZMBUTYYEQ-ULQDDVLXSA-N 326.400 1.930 0 40 EDAB O=C(Cn1cccn1)Nc1ccc(C(=O)NCCN2CCCC2)cc1 78997389 GGPWFWQLVSJRQS-UHFFFAOYSA-N 341.415 1.347 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3cccc4c3OCO4)CC2)no1 79001592 KQTAMWPGCAXLIR-UHFFFAOYSA-N 330.344 1.065 0 40 EDAB COc1ccc2nnc(CCC(=O)Nc3cccc(C(C)=O)c3)n2n1 71288850 NVHDCCSQMSFYNA-UHFFFAOYSA-N 339.355 1.907 0 40 EDAB O=C(CN1CCCC1=O)N1CCC(c2ccc3cccnc3n2)CC1 655265732 HXAIHGKICYSRRV-UHFFFAOYSA-N 338.411 1.958 0 40 EDAB C[C@H](Sc1nnnn1C1CCOCC1)C(=O)NCc1ccccc1 69810683 GLYWXLGWMXUTPD-LBPRGKRZSA-N 347.444 1.822 0 40 EDAB N[C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc2c(c1)OCO2 72227687 ZOHWWEIOOLKOPL-IRXDYDNUSA-N 340.335 1.602 0 40 EDAB Cc1n[nH]cc1CNCC1CCN(S(=O)(=O)c2ccccc2)CC1 78553393 KFQANDYAYUNLSM-UHFFFAOYSA-N 348.472 1.909 0 40 EDAB CCn1nc(C)cc1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 72237861 FISWIAICZSIBJD-SJORKVTESA-N 342.399 1.748 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](C(=O)O)C(F)(F)C1 561856553 NIFBYQIFKCZXSN-SNVBAGLBSA-N 349.355 1.734 0 40 EDAB CN(CC1CC1)C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 79336371 FHUSIXFZXIHTQH-HNNXBMFYSA-N 347.415 1.415 0 40 EDAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC[C@H](c2ccn[nH]2)C1 72270647 HTWUSEPYBOHCLB-MNOVXSKESA-N 347.444 1.777 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)c2ccccc2N3)on1 72347553 KVGAZUUJTWLYKL-KRWDZBQOSA-N 326.356 1.771 0 40 EDAB O=C(Cc1cc(F)c(F)cc1F)NS(=O)(=O)c1nccs1 225470567 VIWMVXQGUIPRFJ-UHFFFAOYSA-N 336.316 1.608 0 40 EDAB CC(C)C[C@@H]1COCCN1C(=O)N[C@H]1CCN(C(C)(C)C)C1=O 564894900 FEUVESJTXWCVHH-KGLIPLIRSA-N 325.453 1.842 0 40 EDAB Cn1nnn(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)c1=O 75163079 BHXSGYFUMCDZFE-UHFFFAOYSA-N 331.282 1.497 0 40 EDAB Cc1cc(O)nc([C@@H](C)N(C)Cc2nc3ccsc3c(=O)[nH]2)n1 192787662 IQZMPORUGFZJFD-SECBINFHSA-N 331.401 1.982 0 40 EDAB COc1ccc2cc(C(=O)N3CC[C@H](N4C(=O)COC4=O)C3)[nH]c2c1 225702605 YABGFZRKLACFRW-NSHDSACASA-N 343.339 1.370 0 40 EDAB CCN(CC)CC(=O)N1CCN(c2nncc3ccccc23)CC1 80765960 GQXWBOXGUBEZOT-UHFFFAOYSA-N 327.432 1.620 0 40 EDAB O[C@H](CN[C@H]1CCc2c[nH]nc2C1)CN1CCc2ccccc2C1 575981235 CFQZEZYHLKZTHB-ZWKOTPCHSA-N 326.444 1.276 0 40 EDAB Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)C2 574147627 DLNFONYFYBOPGP-SNVBAGLBSA-N 339.321 1.825 0 40 EDAB COc1ccc(-c2nnsc2C(=O)NCCN2CCOCC2)cc1 225763868 VXMSJPFRSBZQTG-UHFFFAOYSA-N 348.428 1.276 0 40 EDAB Cc1cc(NC(=O)CS(=O)(=O)Cc2ccc(C)c(C)c2)n(C)n1 195055506 HGSBEKKUAJHBBN-UHFFFAOYSA-N 335.429 1.899 0 40 EDAB CS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1ccc(N)cc1 96519721 SEIPMYPCLVQEOM-BDAKNGLRSA-N 328.615 1.634 0 40 EDAB Cc1csc(CN(C)C(=O)CN2CCN(c3ccccn3)CC2)n1 96436711 IBEXGSUTXZYYTA-UHFFFAOYSA-N 345.472 1.627 0 40 EDAB O=C(C[C@@H]1CO[C@@H]2CN(Cc3cccnc3)C[C@H]12)Nc1cnccn1 96218945 RRUGLWQRHAKQRF-BZUAXINKSA-N 339.399 1.347 0 40 EDAB Cn1cc(CN2CCC3(CCN(C(=O)c4cccnc4)CC3)C2)cn1 96046664 ULRMUSNKXLLUAN-UHFFFAOYSA-N 339.443 1.943 0 40 EDAB CCCc1nc(C(N)=O)nn1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 331245765 SGSGJRSSVBSDIO-SECBINFHSA-N 347.341 1.130 0 40 EDAB CN(C)C(=O)N1CCN(Cc2ccsc2)C[C@]2(CNC(=O)C2)C1 96035967 BIBKEQFHXIBDLV-INIZCTEOSA-N 336.461 1.054 0 40 EDAB CCOCCN1Cc2ncn(C)c2[C@@H](COCC2CCOCC2)C1 96045019 IETNGSKIPMUUII-MRXNPFEDSA-N 337.464 1.799 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccccn1)C2 96039561 IUALFUOKFZVZTC-IEBWSBKVSA-N 347.459 1.671 0 40 EDAB CS[C@H](C)C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 583622989 GHFKAMOYNQTJSO-GRYCIOLGSA-N 326.466 1.857 0 40 EDAB Cc1ccc(C(=O)N2CCC3(CC2)CCN(CC(=O)N(C)C)C3=O)o1 96071155 WDKNEIWIIKMOIG-UHFFFAOYSA-N 347.415 1.131 0 40 EDAB CN1C(=O)C[C@@H](NCc2cccc3c2OCO3)[C@@H]1c1cccnc1 583616562 KWGQKKXJQUSXTI-PBHICJAKSA-N 325.368 1.872 0 40 EDAB O=C1CCCN1C[C@H]1CN(C(=O)c2ccccc2)Cc2nccn2C1 96188455 TYANHBARPWGDHJ-HNNXBMFYSA-N 338.411 1.778 0 40 EDAB O=C(CNC(=O)c1cnccn1)NCCn1ccc2ccc(F)cc21 96118445 OQEUAHFNEDKPPN-UHFFFAOYSA-N 341.346 1.117 0 40 EDAB Cc1ccccc1OCC(=O)N1CC(S(=O)(=O)CC(C)C)C1 96121965 IDGIAYUNTIZNSG-UHFFFAOYSA-N 325.430 1.655 0 40 EDAB Cc1cc(C(=O)N2CC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)no1 96107802 AUBQLWYGNUBNLF-QAPCUYQASA-N 343.383 1.968 0 40 EDAB Cc1cccc(CN2Cc3nccn3C[C@@H](CN3CCOCC3)C2)n1 96188505 CPAYJKKXVQLRFW-KRWDZBQOSA-N 341.459 1.551 0 40 EDAB Cc1ccc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)o1 96041157 IGVMCGCQDUJPAD-YESZJQIVSA-N 334.416 1.284 0 40 EDAB Cc1cccc(C)c1C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 583988816 NNMHDVYTITZZTI-UHFFFAOYSA-N 348.428 1.173 0 40 EDAB COC[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)CN1C(C)C 96240321 CGDVPVIEKBSNCW-MRXNPFEDSA-N 332.448 1.828 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)NCCc2cc(F)ccc2F)cn1 96447013 NVBCXTCVESZZGB-MRXNPFEDSA-N 338.358 1.448 0 40 EDAB C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CN(C)[C@@H]1COC[C@H]1O 585084508 JJGPKMLKSCHKDI-KBUPBQIOSA-N 328.453 1.571 0 40 EDAB CCCN(CCN1CCN(CC)CC1)C(=O)c1ccn2ccnc2c1 585085173 PTPGPEPHNXUNQO-UHFFFAOYSA-N 343.475 1.824 0 40 EDAB Cn1cc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O 585088183 NYAWVSDPPJUZBF-JTQLQIEISA-N 331.825 1.537 0 40 EDAB CNC(=O)[C@H]1CCC[C@@]12CCN(S(=O)(=O)c1ccccc1C)C2 248022800 MYBAOIWAUMQAFT-PBHICJAKSA-N 336.457 1.922 0 40 EDAB CCOC[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)CC 242648755 RGFUOFHQFTZYBK-ARFHVFGLSA-N 341.429 1.297 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ncccn3)CC2)C[C@@H](O)C1(C)C 257253505 JZEUDMOIWILZMI-CQSZACIVSA-N 346.431 1.091 0 40 EDAB CCc1nccn1CC(=O)NCc1ccnc([C@H]2CCCOC2)n1 257335775 YLUMQFICPNCERN-ZDUSSCGKSA-N 329.404 1.446 0 40 EDAB Cc1cc(-c2cc(C[C@@H]3CCCN(S(C)(=O)=O)C3)ncn2)[nH]n1 257292955 QNOXGFXGAJATRM-LBPRGKRZSA-N 335.433 1.389 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)n1 257205662 BABHQRAHPDFEDW-HNNXBMFYSA-N 342.399 1.314 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1c(F)cccc1F 257231296 GGBQYCMZAONVOS-QGZVFWFLSA-N 346.337 1.632 0 40 EDAB CC(=O)NCc1cnn(-c2ccccc2C(=O)NC[C@H]2CCCO2)c1 257216676 CVQPZYOKFMLCJC-OAHLLOKOSA-N 342.399 1.417 0 40 EDAB Cc1nn(C)c(C)c1-c1cncc(C2CCN(S(C)(=O)=O)CC2)n1 257269874 MRTDRLXJDQYVNM-UHFFFAOYSA-N 349.460 1.633 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257268512 MMALAZXUXWJAAM-HNNXBMFYSA-N 325.372 1.666 0 40 EDAB COc1ncccc1C(=O)N1CCC2(CC(Nc3ccncn3)C2)C1 257223108 DVXCGKVEGDMGOD-UHFFFAOYSA-N 339.399 1.987 0 40 EDAB Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(S(C)(=O)=O)C1 257280372 OKPBAPNMKLYFEH-LBPRGKRZSA-N 336.417 1.572 0 40 EDAB Cc1cccc(N2CCC[C@@H](NC(=O)Cn3nc(C)ccc3=O)C2)n1 257338079 YVSPVSVMJRYWCZ-OAHLLOKOSA-N 341.415 1.040 0 40 EDAB COc1cc(NC(=O)CS(=O)(=O)C2CCCC2)ccc1C(=O)O 262901901 IUVSHBJODBNZSK-UHFFFAOYSA-N 341.385 1.689 0 40 EDAB CC[C@H](C)[C@@H](C(=O)NCCn1cnc2ccccc21)n1cnnn1 604418703 LZTJSZBHXUHOBF-WFASDCNBSA-N 327.392 1.426 0 40 EDAB Cc1nn(CCO)cc1CNCc1cccc(N2CCCC2=O)c1 1615550916 NCQPDNFZHUFGPF-UHFFFAOYSA-N 328.416 1.600 0 40 EDAB C[C@H]1CCN(S(=O)(=O)c2cnc(C3OCCO3)s2)C[C@@H]1C 1615587220 VMBKRMRGQUIVME-UWVGGRQHSA-N 332.447 1.855 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)c2nnnn2C)CC[C@H]1c1ccccc1 1615605720 AQUZUIFLMIWLQI-TZMCWYRMSA-N 335.433 1.415 0 40 EDAB Cc1ccc(Cc2nc(C(=O)N3CC[C@@](O)(CO)C3)cs2)cc1 1615606490 ZKGIEXWOHRXXAZ-KRWDZBQOSA-N 332.425 1.612 0 40 EDAB O=C([C@@H]1NCCC[C@@H]1c1ccccc1)N1CCN([C@H]2CCOC2)CC1 1616030374 APQJTHFVBXVNBJ-IPMKNSEASA-N 343.471 1.455 0 40 EDAB COC1(CO)CCN(c2nnnn2Cc2ccc(Cl)cc2)CC1 1616033302 NAZDSXBQLJMPEV-UHFFFAOYSA-N 337.811 1.353 0 40 EDAB CCOC(=O)c1oc(NCCS(C)(=O)=O)nc1C(F)(F)F 1616034620 QGJYKISSUPBBTQ-UHFFFAOYSA-N 330.284 1.327 0 40 EDAB Cn1ncc2c1CCCN(C(=O)N=c1nc(C(F)(F)F)[nH]s1)C2 606446090 JFXXOSTYTABALG-UHFFFAOYSA-N 346.338 1.693 0 40 EDAB COc1cc(NC(=O)CNC(=O)N=c2cc[nH]c(C)c2)cc(OC)c1 390834705 RLDXEHQCQCBKNF-UHFFFAOYSA-N 344.371 1.589 0 40 EDAB COc1ccc(C(=O)NCCn2nc(C3CC3)ccc2=O)cc1F 575608480 NRWHJRQNGQXRJE-UHFFFAOYSA-N 331.347 1.698 0 40 EDAB Cc1cccc(OC[C@]2(O)CCCN(CC(=O)N3CCOCC3)C2)c1 585271552 HHQCBQCOZPKHJX-IBGZPJMESA-N 348.443 1.060 0 40 EDAB CO[C@@H]1CCN(Cc2cccnc2C)C[C@H]1CC(=O)N1CCOCC1 585278493 SWHMJLPOAUPRJQ-QZTJIDSGSA-N 347.459 1.476 0 40 EDAB Cn1cncc1CN1CCC[C@]2(CCC(=O)N2C[C@@H]2CCCO2)CC1 585099794 AWJJHGOEKNGKJV-HKUYNNGSSA-N 346.475 1.946 0 40 EDAB O=C(NCC1(OCCO)CCSCC1)c1ccc(F)c(F)c1 828765472 UNAYLXHTPKWGTL-UHFFFAOYSA-N 331.384 1.969 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(S(C)(=O)=O)c1 69588167 SIKNHNQAMAZVNF-HOTGVXAUSA-N 336.457 1.789 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N[C@H](c1ccccc1)C1CC1)C2 69528269 PXQJPSHEILGLFQ-GOSISDBHSA-N 325.416 1.670 0 40 EDAB Cc1nn(CCS(=O)(=O)c2ccccc2)c(=O)c2noc(C)c12 60368162 CPXNTRXHOIPDJZ-UHFFFAOYSA-N 333.369 1.475 0 40 EDAB CCOc1nnc(CN(C)CC2CCN(C[C@H](C)O)CC2)s1 75603085 BYKKRSSZZPZLAV-LBPRGKRZSA-N 328.482 1.461 0 40 EDAB COCCNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 75602090 KKOJFLPALRZRFN-UHFFFAOYSA-N 335.385 1.259 0 40 EDAB C[C@H]1CN(C(=O)CCN2C(=O)CCc3ccccc32)C[C@H]1N(C)C 76050752 PXLKVFROMBMIFW-WMLDXEAASA-N 329.444 1.764 0 40 EDAB O=C(O)[C@H]1COCCN1C(=O)COc1cc(Cl)ccc1Cl 88373601 PXQNYQUYRADPIU-SNVBAGLBSA-N 334.155 1.684 0 40 EDAB Brc1cccc(Nc2nc3nonc3n3nnnc23)c1 5589020 HDWBARQKNNIGJT-UHFFFAOYSA-N 333.109 1.562 0 40 EDAB O=C(c1ccncc1)N1CCc2nc3ccsc3c(=O)n2CC1 13268191 JNAQHVIYJDBGNE-UHFFFAOYSA-N 326.381 1.552 0 40 EDAB CCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(C(=O)OC)on1 15673450 ZIMFDCOOZYMLMI-STQMWFEESA-N 337.420 1.488 0 40 EDAB biogenic,in-vitro CCNC(=O)NC(=O)COC(=O)/C=C/c1c(F)cccc1Cl 8338913 HHCQQEZZWRDRFW-VOTSOKGWSA-N 328.727 1.881 0 40 EDAB Cc1nnc(CNC(=O)c2ccc(OCCOC(C)(C)C)nc2)o1 225727892 WLWRUSZGPYIQJB-UHFFFAOYSA-N 334.376 1.897 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 6408265 FFCUFUWHCDUODV-GFCCVEGCSA-N 327.450 1.499 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)OCCO2 19110536 WQBONHPMJNLLJC-CQSZACIVSA-N 340.383 1.647 0 40 EDAB Cc1nc(N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)nc(O)c1F 1888854689 QVEPKWNBRYXOPV-UHFFFAOYSA-N 346.366 1.193 0 40 EDAB Cn1c(N2C[C@H]3CN(S(=O)(=O)C4CC4)C[C@@H]3C2)nc2ccccc21 1888869666 JZKNHDPUNFPTCN-STQMWFEESA-N 346.456 1.434 0 40 EDAB CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)c1ccc[nH]1 23329631 KETZFROOEMFFHF-UHFFFAOYSA-N 335.433 1.655 0 40 EDAB COc1cccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)c1 4941446 ZSFVUNPCJYCKBF-CQSZACIVSA-N 334.372 1.436 0 40 EDAB COCC(=O)N1CCC[C@]2(C[C@H](N(C)Cc3ccccn3)CO2)C1 2055837449 BUOXKCMOCADKJZ-WMZOPIPTSA-N 333.432 1.310 0 40 EDAB CC(C)(C)NC(=O)CN1CCN(C[C@@H](O)c2cccs2)CC1 28909692 YMBJSVZQQLXOBG-CYBMUJFWSA-N 325.478 1.314 0 40 EDAB C[C@H](O)CN(C[C@@H](C)O)C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 72238840 WEZRROLMUUBMCC-XJISEUOASA-N 341.492 1.396 0 40 EDAB O=C1NCCN1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 225736722 FEDOIUJCCSDPAF-UHFFFAOYSA-N 344.419 1.059 0 40 EDAB O=C(C1CCN(c2ncnc3ccsc23)CC1)N1CCOCC1 30636358 IVEQVYDNZOXGNA-UHFFFAOYSA-N 332.429 1.767 0 40 EDAB Cc1nc(C)c(CC(=O)NC[C@@H](c2ccsc2)N(C)C)c(=O)[nH]1 31287095 WWMVLNPWLYELFH-AWEZNQCLSA-N 334.445 1.410 0 40 EDAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 31613374 OVDQTPBLPXMDDX-LERXQTSPSA-N 336.413 1.198 0 40 EDAB Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)on1 40535784 CQKWMBPREYRUEA-CHWSQXEVSA-N 330.388 1.922 0 40 EDAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N[C@H]1CCCCNC1=O 40521621 QEHMALZMVMXSMT-ZDUSSCGKSA-N 346.362 1.593 0 40 EDAB O=C(c1ccccn1)N1CCN(c2ncc(Br)cn2)CC1 40525154 CYKPXMYUEPIUQH-UHFFFAOYSA-N 348.204 1.597 0 40 EDAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCc1ccc(F)cc1 40527827 CUTBCLCJKXCERA-UHFFFAOYSA-N 340.376 1.655 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1c(C)n[nH]c1C 51877198 NNBQUDYOXKXDCV-OAHLLOKOSA-N 341.415 1.138 0 40 EDAB c1cc2nnnn2nc1N1CCC[C@H]1c1nnc2n1CCCCC2 32779215 XUIDKCREAYQQDL-NSHDSACASA-N 325.380 1.179 0 40 EDAB COc1ccc(C(N)=O)c(OS(=O)(=O)c2cccc(F)c2)c1 21473803 JKOKJCGWJNPRFC-UHFFFAOYSA-N 325.317 1.701 0 40 EDAB Cn1c(=O)c2[nH]c(-c3c(Cl)cccc3Cl)nc2n(C)c1=O 524014 KQOGLWFSMXKZPJ-UHFFFAOYSA-N 325.155 1.934 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1F)N1CCC(N2CCNC2=O)CC1 53284138 PKOXSGLJKOVOTH-ZDUSSCGKSA-N 348.422 1.320 0 40 EDAB C[C@@H](c1ccccn1)N(C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103939501 OLEDTOMTQSYBHY-UCQBOQSVSA-N 339.395 1.408 0 40 EDAB CN(CC(=O)N[C@H]1CCOc2ccccc21)c1ncnc2nc[nH]c12 47403360 NBMJGRFSNLIKMJ-LBPRGKRZSA-N 338.371 1.429 0 40 EDAB CC(C)S(=O)(=O)CC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95997963 DYSNYFZAPVAPCD-UHFFFAOYSA-N 348.428 1.152 0 40 EDAB C[C@@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)C[C@H]1N(C)C 78894467 XZUYGCKENFPDCZ-TZMCWYRMSA-N 333.457 1.534 0 40 EDAB O=C(NCCc1ccncc1)c1cccc(N2CCCS2(=O)=O)c1 78954522 PDCOTIGDVQXRQK-UHFFFAOYSA-N 345.424 1.594 0 40 EDAB C[C@H](c1ccccc1)n1cnc2c(N(CCO)CCO)ncnc21 1700357 AHNRSIGYTFFGDR-CYBMUJFWSA-N 327.388 1.227 0 40 EDAB O=C([C@H]1CCCN1)N1CCN(c2ncc(Cl)cc2Cl)CC1 79357121 ZXPQJRJKUWUDAL-GFCCVEGCSA-N 329.231 1.789 0 40 EDAB O=S(=O)(NCCCN1CCOCC1)c1cccc(Cl)c1F 42985502 FIBPWDWSWIIBND-UHFFFAOYSA-N 336.816 1.480 0 40 EDAB O=C(NCCc1ccccn1)N[C@@H]1CCCN(c2ncccn2)C1 42964652 XTPBCFPPROMHIT-OAHLLOKOSA-N 326.404 1.382 0 40 EDAB COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NCCNC(C)=O 43140850 CCULHHMJNTYDGT-MRXNPFEDSA-N 349.431 1.522 0 40 EDAB COc1ccc(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC 4977045 XDWWRRHSBGYDDF-UHFFFAOYSA-N 344.433 1.385 0 40 EDAB Cc1ccc(Cn2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)n2)cc1 6922866 NHWMWPCCTXFXQU-MDBPOYHNSA-N 337.379 1.907 0 40 EDAB CCN1CC[C@H](CNC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)C1 106567598 UGYOAOHMAQHSDH-CHWSQXEVSA-N 330.432 1.883 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N1CCC[C@@H]3CCCC[C@H]31)CC2 106787929 WFFWPWJWRJMRIW-ARFHVFGLSA-N 331.464 1.672 0 40 EDAB C[C@@H](CO)[C@@H](C)NC(=O)NCC1(N2CCCCC2)CCN(C)CC1 74385665 FROMHAKMAYATTM-JKSUJKDBSA-N 340.512 1.253 0 40 EDAB C[C@@H]1C[C@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 25436709 ZQTDDIJKSZWZRW-ZYHUDNBSSA-N 344.458 1.041 0 40 EDAB CCN1CCC[C@H]1CNC(=O)[C@H](Cc1ccccc1)n1cnnn1 107569760 DTXLYKKIYHZQTP-HOTGVXAUSA-N 328.420 1.057 0 40 EDAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2F)cn1 3248212 ZHASQNXYDIYAOR-UHFFFAOYSA-N 325.246 1.998 0 40 EDAB COC(=O)N1CCC(NC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 57452770 ZRWQOQAHNQUGSA-QGZVFWFLSA-N 345.443 1.998 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1CO 108495822 PNUWXTXWRPYJPP-KOLCDFICSA-N 338.351 1.882 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H]2Cc3ccccc3O2)cc1C(N)=O 26865024 QZTYLXPVOIAWRK-ZDUSSCGKSA-N 346.408 1.376 0 40 EDAB COc1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)C2CC2)cc1 9054355 NMRNMDAZZFHJLO-UHFFFAOYSA-N 329.400 1.257 0 40 EDAB CCOc1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1 12619240 AALRUCIVDHFCQL-UHFFFAOYSA-N 341.371 1.558 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)Nc1nccs1 48210627 ZKSOIMCEGZOPMW-UHFFFAOYSA-N 327.369 1.778 0 40 EDAB CC(=O)Nc1cccc(NC(=O)COc2nnc3ccccn23)c1 12778843 JCRPCFLWKAVNLX-UHFFFAOYSA-N 325.328 1.705 0 40 EDAB Cn1ccc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2Cl)n1 58245635 YOLDFZRZOXSHCX-UHFFFAOYSA-N 333.728 1.712 0 40 EDAB CN(CCCNC(=O)c1ccnc(-n2ccnc2)c1)CC(F)(F)F 58274626 ZTWHCQKMIBTSPO-UHFFFAOYSA-N 341.337 1.881 0 40 EDAB CN(CC(=O)NCCc1cccc(O)c1)S(=O)(=O)c1ccccc1 58278453 ZBGCDMMNPQYVTH-UHFFFAOYSA-N 348.424 1.372 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@H]2CCCCNC2=O)c(C)c1 44935847 WRGWVUWKYISJIY-ZDUSSCGKSA-N 326.418 1.259 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 44942227 AXFFIYZNNIIAAD-QLFBSQMISA-N 346.493 1.512 0 40 EDAB C[C@@H]1CCCCN1C(=O)CS(=O)(=O)c1ccc2c(c1)OCCO2 44947977 LTGGITPOLJEMDK-GFCCVEGCSA-N 339.413 1.633 0 40 EDAB COc1ccc([C@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OC)c1 44945918 VVBBWVKEWNDMRP-WDEREUQCSA-N 342.417 1.251 0 40 EDAB Cc1ccc(CN2CCOC[C@]3(C[C@@H](Cn4cnnc4)CO3)C2)s1 107243792 BMIJFISDHZKRHU-RDJZCZTQSA-N 348.472 1.956 0 40 EDAB CN(C)CCCNc1nc2nnnn2c2sc3c(c12)CCN(C)C3 2205823 SUXZYMFOQOLRID-UHFFFAOYSA-N 346.464 1.086 0 40 EDAB COCCN1C[C@H](C(=O)N(C)Cc2nc3ccccc3s2)CC1=O 45292008 JQPOPJILMINKJI-GFCCVEGCSA-N 347.440 1.750 0 40 EDAB O=C1NCC[C@@H]1Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 179044640 NNWAJJPVIBDKHY-KRWDZBQOSA-N 348.410 1.883 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)O[C@H]2CCOC2=O)cc1 11215664 RRPGYCJRPUBNLM-GWCFXTLKSA-N 341.385 1.236 0 40 EDAB CCn1c(C)cc2c(c1=O)[C@H](c1cccnc1)C(C(=O)OC)=C(N)O2 2444521 QYCZUBCDAXUUJR-ZDUSSCGKSA-N 341.367 1.439 0 40 EDAB Cn1ccnc1[C@@](O)(CCNC(=O)Nc1ccccn1)C(F)(F)F 45715698 ZXVOKMJDBUWJNX-ZDUSSCGKSA-N 343.309 1.777 0 40 EDAB C[C@H]1CCCN(CCCNS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)C1 45744704 IYNCMLGHOCRVCQ-SOUVJXGZSA-N 333.498 1.052 0 40 EDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(F)cc1 45896100 IWPNWMXFHKJOOU-CYBMUJFWSA-N 333.323 1.291 0 40 EDAB Cc1cccc(C(=O)NCCNS(=O)(=O)Cc2ccccc2)n1 29419192 QMHOMJUECGYEDI-UHFFFAOYSA-N 333.413 1.239 0 40 EDAB Cn1ccnc1CN1C(=O)CO[C@H]2CN(Cc3ccccc3)C[C@H]21 67897321 FCMGPFDAHIIPKG-CVEARBPZSA-N 326.400 1.032 0 40 EDAB biogenic,in-vitro O=C(NCc1ccoc1)NC[C@@]1(N2CCOCC2)CCSC1 47070570 NQBQJXCJTVXZSS-HNNXBMFYSA-N 325.434 1.287 0 40 EDAB COc1ccc(C2=CCN(C[C@H](O)CN3CCOCC3)CC2)cc1 61306187 NPNPPRCDLNBYBB-SFHVURJKSA-N 332.444 1.477 0 40 EDAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 3440222 OQZOJCUKJFEFPS-MRXNPFEDSA-N 331.328 1.074 0 40 EDAB CCC[C@H](C)NC(=O)COC(=O)c1nn(C)c(=O)c2ccccc12 3597549 SLVYHRQRQMNQMJ-NSHDSACASA-N 331.372 1.395 0 40 EDAB CCCCN(C(=O)C1CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3565628 MHRYXBZVHSPMGR-UHFFFAOYSA-N 336.436 1.708 0 40 EDAB CCCC(=O)N1CCC(C(=O)N[C@@H](CC)[C@@H](O)C(F)(F)F)CC1 95451860 CMFBBYVTVGTEMS-WCQYABFASA-N 338.370 1.843 0 40 EDAB COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 13015320 XAFMYHWPSJJZLZ-UHFFFAOYSA-N 340.335 1.734 0 40 EDAB COc1ccc(OC)c(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 3907042 HJGQTCIBAYVXTP-JQWIXIFHSA-N 328.415 1.384 0 40 EDAB O=C(c1ccc(Br)o1)N1CCC[C@H](N2CCNC2=O)C1 49450570 ZDJHKJAMUPXARB-VIFPVBQESA-N 342.193 1.672 0 40 EDAB CN(C)C1(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CCC1 95418260 IJEQNZBQZAQFAL-UHFFFAOYSA-N 333.436 1.365 0 40 EDAB CCCCN1C(=O)NC(=O)/C(=C(\C)NCCc2ccccc2)C1=O 4325377 FHLSZNPOMFNXMB-SQFISAMPSA-N 329.400 1.971 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)nc(-c1ccn(C)c1)n2CCOC 95448463 CODGCFULCSKNLD-UHFFFAOYSA-N 348.428 1.596 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1C(N)=O)n1nnc2ccccc2c1=O 5246303 PDLKFDZLLAPYJW-JTQLQIEISA-N 337.339 1.090 0 40 EDAB COC(=O)CCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 4488296 KZFVIIUXGIVARE-GFCCVEGCSA-N 334.372 1.487 0 40 EDAB COc1cc(CNC(=O)CN2CCO[C@@H](C)C2)cc(OC)c1OC 14093409 JAVPFLBKQIESER-LBPRGKRZSA-N 338.404 1.049 0 40 EDAB CC(C)[C@H](C(=O)N1CCN(Cc2ccccn2)CC1)n1cncn1 65513979 XIKGLHGRQPEZKB-MRXNPFEDSA-N 328.420 1.215 0 40 EDAB Cc1n[nH]c(C(=O)NCCCN2CCOC2=O)c1Br 65591207 CBSXBXFWBBDKFP-UHFFFAOYSA-N 331.170 1.053 0 40 EDAB CC(=O)c1sc(NC(=O)Cn2cnnn2)nc1-c1ccccc1 14139029 DXFNROXQQSHSKW-UHFFFAOYSA-N 328.357 1.638 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)Nc2cccnc2-n2cccn2)C1 65624080 HCXRJCOUFACTAB-CYBMUJFWSA-N 328.376 1.400 0 40 EDAB COCCn1cc(NC(=O)NCCC(=O)Nc2cccc(C)n2)cn1 65983117 CUPGQOVHVADOAU-UHFFFAOYSA-N 346.391 1.383 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc(CC(N)=O)cs1 14369730 WHTHKHXCTAZSFL-OQPBUACISA-N 333.369 1.338 0 40 EDAB O=C(COC(=O)C1(O)CCCCC1)Nc1ccc2c(c1)OCCO2 14323782 YLURWXILYTUNRT-UHFFFAOYSA-N 335.356 1.635 0 40 EDAB Cn1cc([C@@H]2CCCN2CC(=O)NCCOc2ccccc2)cn1 71797309 AJODUUSLFDYMED-KRWDZBQOSA-N 328.416 1.752 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)Cn2cnc3sccc3c2=O)cn1 71796947 LMTYGNVKRSPHMC-ZDUSSCGKSA-N 343.412 1.555 0 40 EDAB Cn1cc([C@@H]2CCCN2CC2=NS(=O)(=O)c3ccccc3N2)cn1 71797171 RKDFBNUQNFJBKH-AWEZNQCLSA-N 345.428 1.770 0 40 EDAB CCc1cccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 67557993 ZPLASZACNWJLER-CQSZACIVSA-N 325.434 1.795 0 40 EDAB Cc1ccoc1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC(CO)CC1 95976431 MCHKDHQJQLFVNS-HNNXBMFYSA-N 336.432 1.963 0 40 EDAB O=C1CC[C@H](C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CN1 71883018 XWAXQTKMBTWOCO-JTQLQIEISA-N 334.376 1.733 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)NC(=O)COC(=O)c2ccc[n+]([O-])c2)[C@@H]1C 7987926 CGQGCISCVMPVHV-YRGRVCCFSA-N 349.387 1.127 0 40 EDAB Cc1cc(C)c(C)c(OCCC(=O)NCC2(C(N)=O)CCOCC2)c1 71884547 VAFICLDHQZWKHI-UHFFFAOYSA-N 348.443 1.779 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cnc3ccccn3c2=O)c1 71869799 BTHPFADBCFPPPI-CQSZACIVSA-N 337.383 1.504 0 40 EDAB Cc1noc(CCCC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)n1 71821281 VWGYJYAUPIKVDI-OAHLLOKOSA-N 342.399 1.791 0 40 EDAB CSCc1nc2ccccc2n1CC(=O)NCCc1nccn1C 69352184 OLFJSTYXTZMXGA-UHFFFAOYSA-N 343.456 1.992 0 40 EDAB C[C@@H](OC(=O)CCc1ccco1)C(=O)Nc1sccc1C(N)=O 17045433 XWIVQUXHPNZWNT-SECBINFHSA-N 336.369 1.943 0 40 EDAB CCN(CC)CCn1cc(NC(=O)CCNC(=O)C(C)(C)C)cn1 69419196 HCQVGAYIKUAGEN-UHFFFAOYSA-N 337.468 1.716 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccnn1CCc1ccccc1 69527489 ONJVBDVVPUENAU-HNNXBMFYSA-N 347.440 1.889 0 40 EDAB CCc1ncc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)s1 83830593 OOKWMXBKOSESLT-UHFFFAOYSA-N 344.440 1.628 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)CC[C@@H]3CCCO3)CC2)n1 69625606 GCTZCTQSJUGDBN-HNNXBMFYSA-N 348.447 1.792 0 40 EDAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCCC[C@@H]1CC(N)=O 71903867 QCWOKMCGEGJCEK-TZMCWYRMSA-N 332.404 1.453 0 40 EDAB O=C(C[C@@H]1NC(=O)NC1=O)NC1c2ccccc2Oc2ccccc21 69777699 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1.970 0 40 EDAB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)[C@@H]1CCOC1 72288930 DPDNTSNOACXXKG-YNEHKIRRSA-N 342.436 1.900 0 40 EDAB COc1c(C)cnc(CN2CCO[C@@H](Cn3nc(C)nc3C)C2)c1C 72267562 XBKVJGQCWURTLU-MRXNPFEDSA-N 345.447 1.816 0 40 EDAB COc1ccc([C@@H](O)CNC2=NS(=O)(=O)c3ccccc32)cc1 72278054 ROAWQCHNBGJMJN-AWEZNQCLSA-N 332.381 1.467 0 40 EDAB CN(C(=O)CS(=O)(=O)N(C)C)[C@@H]1CCC[C@@H]1Cc1ccccc1 97107512 TXHMYOCUYBDKSA-HZPDHXFCSA-N 338.473 1.748 0 40 EDAB Cc1cc(C)nc(SCC(=O)N2CCN(c3ncccn3)CC2)n1 9983861 MOTABZHHACOGMM-UHFFFAOYSA-N 344.444 1.324 0 40 EDAB O=C(Nc1cccn(CC(F)(F)F)c1=O)N1CCCC[C@@H]1CO 89875129 JYOBMINNWCZTTB-SNVBAGLBSA-N 333.310 1.789 0 40 EDAB CC(=O)N1CCN(c2ccccc2CNC[C@H]2CCCN(C)C2)CC1 89954534 MWXQELTYIVZIOG-GOSISDBHSA-N 344.503 1.787 0 40 EDAB O=C(NCC[C@@H]1CN(C2CCCC2)Cc2ccnn21)c1cnccn1 306138188 RSBFXJXWWQCAAL-OAHLLOKOSA-N 340.431 1.793 0 40 EDAB NC(=O)c1cccc(CNC(=O)[C@H]2CCN(Cc3ccccc3)C2)c1 552929474 KMLXPKCHADULLI-SFHVURJKSA-N 337.423 1.924 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NCCc3ccccn3)CC2=O)cc1 30525119 ARYNRHXURPJNDG-AWEZNQCLSA-N 339.395 1.802 0 40 EDAB Cn1cnc([C@@H]2CN(C(=O)NCCc3ccccc3F)C[C@H]2N)c1 1553413091 BHOSKDSXWHOTKX-UKRRQHHQSA-N 331.395 1.238 0 40 EDAB CC(C)N1CCN(CCCSc2ncnc3c2cnn3C)CC1 188287554 HEQRRBYPIKQIAZ-UHFFFAOYSA-N 334.493 1.872 0 40 EDAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(C2CC2)nc1 1565522924 BSVNQEQVOLACLM-UHFFFAOYSA-N 335.363 1.871 0 40 EDAB COc1c([C@@H]2SCC(=O)Nc3[nH]ncc32)cc2c(c1OC)OCO2 35324664 DXIYCHZCVWWHMD-AWEZNQCLSA-N 349.368 1.930 0 40 EDAB Cc1nc(CCC(=O)NCC(=O)O)cc([C@H]2CCCCN2C(C)C)n1 72366955 CQJWLKGCPAXIEN-MRXNPFEDSA-N 348.447 1.854 0 40 EDAB COc1ccc2nnc(CCC(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)n2n1 79487971 IJINLXMCNFKLJS-AGIUHOORSA-N 327.388 1.394 0 40 EDAB CCn1cc(C(=O)N2[C@@H]3C[C@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)cn1 183806763 NGBXVPRAOQDBTP-IOASZLSFSA-N 337.445 1.884 0 40 EDAB Cc1noc(CNS(=O)(=O)c2ccc(C(C)(C)C(=O)O)cc2)n1 566491248 PRTIETIBUPRSQC-UHFFFAOYSA-N 339.373 1.219 0 40 EDAB O=C([C@@H]1CCCN1C(=O)Cc1cccc(Cl)c1)N1CCOCC1 79001300 YDTMXZIVKFYJBF-HNNXBMFYSA-N 336.819 1.732 0 40 EDAB COc1cccc(CN2CCn3c(nnc3C3CCNCC3)C2)c1 72372122 NIXAHTHZPHFEPB-UHFFFAOYSA-N 327.432 1.770 0 40 EDAB CNC(=O)NCCNC(=O)c1cc(-c2ccccn2)nc2ccccc12 1570585817 YCPJTEHGAMBUNA-UHFFFAOYSA-N 349.394 1.956 0 40 EDAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NCc1ccncc1)CS2 85473891 LNILQIHYXMPSIT-ZDUSSCGKSA-N 344.440 1.547 0 40 EDAB Cc1ccc([C@H](c2sc3ncnn3c2O)N2CCN(C)CC2)o1 41636353 MATYJEDMHFNGGW-GFCCVEGCSA-N 333.417 1.735 0 40 EDAB O=C1CNc2ncnc(N3CCN(Cc4cccc(F)c4)CC3)c2N1 41121422 ZDPPYHYFARZXQI-UHFFFAOYSA-N 342.378 1.302 0 40 EDAB O=C(Cc1ccsc1)N1CCc2nc3ccccn3c(=O)c2C1 225778551 FRCNWVYGKSWQDF-UHFFFAOYSA-N 325.393 1.883 0 40 EDAB O=C(O)c1[nH]c(=O)n(CCc2ccccc2)c(=O)c1CN1CCCC1 222655481 XGNDRECNMWEIIF-UHFFFAOYSA-N 343.383 1.073 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1C 226687494 GSOCDFBPFYXFPA-GFCCVEGCSA-N 341.429 1.967 0 40 EDAB Cc1cnc(NC(=O)c2ccc(OCc3nnnn3C)cc2)s1 96101308 SYHFZWUPUQSQMG-UHFFFAOYSA-N 330.373 1.806 0 40 EDAB COCC(=O)N1CCC2(CC1)C[C@@H](OCC1CCOCC1)CO2 96106703 KGCFMTFMTFVMSC-OAHLLOKOSA-N 327.421 1.226 0 40 EDAB O=S(=O)(NCCc1c[nH]c2ccc(Cl)cc12)N1CCOCC1 96453006 PYKVEAQBXFFKOG-UHFFFAOYSA-N 343.836 1.530 0 40 EDAB CCN1CC[C@@H](NC(=O)NCCO)[C@@H]1c1cc(F)c(F)c(F)c1 97238618 QVLZVPMEGSMOKG-OCCSQVGLSA-N 331.338 1.531 0 40 EDAB COc1ccc(CNC(=O)C2CCN(c3ccc(O)nn3)CC2)cc1 94993170 SNFZICMXEGZVBP-UHFFFAOYSA-N 342.399 1.724 0 40 EDAB COC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1ncccn1 96068243 ZDUZQGJNQVVYIW-INIZCTEOSA-N 343.431 1.850 0 40 EDAB Cc1noc(C)c1CN1CC[C@]2(CCCN(CC(=O)N(C)C)C2)C1 96215303 FMMNANIVYHFATC-SFHVURJKSA-N 334.464 1.668 0 40 EDAB O=C(c1ccoc1)N1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1 96207450 TXAABDFWDVTHJQ-RHSMWYFYSA-N 328.372 1.945 0 40 EDAB CC[C@](O)(CNC(=O)NCCOC)c1ccc(Br)cc1 96471539 MBHLYARJDYRSBD-AWEZNQCLSA-N 345.237 1.992 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H](Oc3ccccn3)[C@H]3OCC[C@@H]32)on1 96219055 JMUGEWQBEBTGAA-ZENOOKHLSA-N 329.356 1.829 0 40 EDAB CC(=O)N[C@H]1CCCN(CCCS(=O)(=O)c2cccc(C)c2)C1 97379244 CHCHZZPPOHLBGK-INIZCTEOSA-N 338.473 1.759 0 40 EDAB O=C(c1cnccn1)N1CC[C@]2(CCCN(Cc3ccccn3)C2)C1 96046961 XAYGPAVNVYDOBH-IBGZPJMESA-N 337.427 2.000 0 40 EDAB O=C(c1cc(O)cc(=O)o1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 583615450 CRQOHWKABNEFHU-GWCFXTLKSA-N 337.278 1.572 0 40 EDAB COCCn1c2c(ccc1=O)C[C@H](NC(=O)c1cc(C)oc1C)CC2 96189676 UNTJHKLEWCHCLD-OAHLLOKOSA-N 344.411 1.992 0 40 EDAB O=C(CC1CC1)N1CCC2(CC1)CN(c1cccnc1)C(=O)CO2 96201442 IEOOJELNUCBMIT-UHFFFAOYSA-N 329.400 1.606 0 40 EDAB CN(C)C(=O)CO[C@H]1CO[C@@]2(CCN(Cc3cccc(F)c3)C2)C1 96072346 UBXRWUZKDUZISX-AEFFLSMTSA-N 336.407 1.664 0 40 EDAB Cc1cnc(N2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)nc1 96100461 GIYMIKRQKSVIFN-NVXWUHKLSA-N 329.404 1.436 0 40 EDAB Cn1c(C(=O)NCCN2CCCS2(=O)=O)ccc1-c1ccccc1 96426319 USXWQTHSPLEIJB-UHFFFAOYSA-N 347.440 1.457 0 40 EDAB Cc1nnc(N2C[C@@H]3COC[C@H](C(=O)Nc4cccnc4)[C@@H]3C2)s1 97953537 VYDPVIMBWNOUFR-BNOWGMLFSA-N 345.428 1.579 0 40 EDAB CC[C@@H](CO)Nc1ncc(Br)c(N[C@H](CC)CO)n1 584907824 ADLZDMPFIMXMGR-BDAKNGLRSA-N 333.230 1.605 0 40 EDAB O=C(c1ncccn1)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107558 FGHSEVJWVDVHDA-KSSFIOAISA-N 340.383 1.714 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccco3)C[C@@H]21)c1cccnc1 247413797 PZDFWOWOEHCDSO-DJIMGWMZSA-N 327.384 1.551 0 40 EDAB O=C1N[C@@]2(C[C@H]3CC[C@H]2N3C(=O)Cc2ccccn2)Nc2ccccc21 247870106 QIPUPJUECPGHCB-WIBUTAKZSA-N 348.406 1.939 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2ncn3c2CCCC3)C1 585121531 RRNSTJODVCETMC-CQSZACIVSA-N 330.432 1.598 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2ccnn21 247951249 LWZMRKJKAISVPR-CQSZACIVSA-N 338.367 1.963 0 40 EDAB COc1cccc(CC(=O)N2CCO[C@@H](c3nc(C)cc(O)n3)C2)c1 257226671 FLQGQDUSKKPJAJ-OAHLLOKOSA-N 343.383 1.642 0 40 EDAB C[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)C(=O)NCCF 252538274 MVBWFCBYXUZXER-RWMBFGLXSA-N 331.432 1.601 0 40 EDAB CN(C(=O)Cn1ccnc1)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257312062 UMIHZMLVNQWPFB-RYRKJORJSA-N 347.390 1.842 0 40 EDAB Cc1ncc(C(=O)N2CCC3(CC(Nc4ccncn4)C3)C2)c(C)n1 257323767 WLTTZFQIHISTJJ-UHFFFAOYSA-N 338.415 1.990 0 40 EDAB CCc1nccn1CC(=O)N1CCC[C@@H](Cc2nccnc2NC)C1 257331572 XTKRTPJWHLRSIQ-AWEZNQCLSA-N 342.447 1.759 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)Cn2ccnc2C)CCN1C 257343878 ZUSZGGBOOBRCOK-INIZCTEOSA-N 328.416 1.715 0 40 EDAB CCc1noc(C)c1C(=O)N1CCO[C@H](c2nccnc2N(C)C)C1 257324925 WQTPKMQOWNEVTK-ZDUSSCGKSA-N 345.403 1.615 0 40 EDAB NCCOc1cccc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)c1 257325890 WUXHBSLOPXOMOM-INIZCTEOSA-N 334.416 1.170 0 40 EDAB Cn1nc(N)c2ccc([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)nc21 257310979 UHKOQUSGNRQCJW-JTQLQIEISA-N 325.376 1.293 0 40 EDAB Cc1cc(OC2CN(C(=O)Cc3cccnc3)C2)cc(=O)n1C1CC1 252485139 GNZNONXUXSCBPD-UHFFFAOYSA-N 339.395 1.719 0 40 EDAB COc1ccc(S(=O)(=O)N2CCO[C@H](c3cnc(C)cn3)C2)cc1 257280503 OLDAEWVEOADRSM-INIZCTEOSA-N 349.412 1.556 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 253494446 XNKSDWIXQXVGOP-CQSZACIVSA-N 326.418 1.039 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccccc1OC 257295179 QXHDKVOBZMTAJR-SFHVURJKSA-N 340.383 1.363 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CCCCO2)ccc1S(=O)(=O)N(C)C 1616033061 ZRDYYNMDTNURMK-ZDUSSCGKSA-N 326.418 1.753 0 40 EDAB COC(=O)[C@H]1CCc2nnc(-c3cccc(S(C)(=O)=O)c3)n2C1 601043736 AWPCMUIVYBTFIY-NSHDSACASA-N 335.385 1.084 0 40 EDAB Cn1cc(/C=C/c2nc3ccc(C(=O)O)cc3s2)c(=O)n(C)c1=O 390835608 SGZXAIQPIJWYTJ-GQCTYLIASA-N 343.364 1.562 0 40 EDAB CCCCC(=O)N1Cc2ccnn2[C@H](C(=O)NC2CC(F)(F)C2)C1 575406243 YJNLECYTSZEKPQ-ZDUSSCGKSA-N 340.374 1.871 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3cscn3)[C@H]2C1 575406873 WQVIMMXCNZCUEI-WRYZSIRCSA-N 335.429 1.002 0 40 EDAB CC(=O)c1sc(NC(=S)NC2=CCS(=O)(=O)C2)nc1C 575425143 YHVWWFHRMUZQQE-UHFFFAOYSA-N 331.444 1.253 0 40 EDAB CCN(C(=S)Nc1ccc(C)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575419973 BYRNCQKRWQBMCI-OLZOCXBDSA-N 328.459 1.172 0 40 EDAB Cc1cccc(OC[C@]2(O)COCCN(C(=O)C3CCOCC3)C2)c1 585269269 NSNOUCUSMASORJ-LJQANCHMSA-N 349.427 1.390 0 40 EDAB CCc1n[nH]cc1C(=O)N1CCO[C@](CO)(Cc2cccc(C)c2)C1 585277147 KMURUFNWQSRKDK-LJQANCHMSA-N 343.427 1.727 0 40 EDAB Cc1nc(O)cc(C(=O)N2CC[C@H](Cc3ccccc3C)[C@H](O)C2)n1 585279994 VHMPSQZBTMQNPH-NVXWUHKLSA-N 341.411 1.865 0 40 EDAB COCCN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O 67782982 GEYMZMQUTJZUMF-NSHDSACASA-N 333.207 1.924 0 40 EDAB CC[C@@H]1CN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CCO1 69583533 RDOVBEHREWXWGU-JXQTWKCFSA-N 332.466 1.122 0 40 EDAB COC(=O)Nc1cccc(C(=O)NS(=O)(=O)c2ccccc2)c1 69701544 WRUMMAWFZBHJHH-UHFFFAOYSA-N 334.353 1.984 0 40 EDAB CC(=O)CC(C)(C)NC(=O)CCn1cnc2cc(F)ccc2c1=O 32854304 WHBRANYJSMGULO-UHFFFAOYSA-N 333.363 1.800 0 40 EDAB CN1CCC(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 71916787 MKFRDVOYQOWZNY-SFHVURJKSA-N 331.460 1.488 0 40 EDAB CC(C)C(=O)N1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 54153019 ZGLDFFSPZIQLRE-UHFFFAOYSA-N 328.416 1.266 0 40 EDAB Cc1cc(C)cc(OS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)c1 585115710 PQKFPGCHJJDOAI-ZDUSSCGKSA-N 347.458 1.294 0 40 EDAB CN(CCn1cnnc1)S(=O)(=O)c1ccc(Br)cc1 95965208 WCCBJCWQHOHYTE-UHFFFAOYSA-N 345.222 1.361 0 40 EDAB O=c1nc2s/c(=C/c3cccnc3)c(=O)n2nc1-c1ccccc1 5814122 WBPHLVSDBSATGY-UKTHLTGXSA-N 334.360 1.121 0 40 EDAB Cc1nn(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1Br 5677809 HVVKFOQIMSDSBK-RGOKHQFPSA-N 343.177 1.781 0 40 EDAB c1cc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCOCC4)nc2C3)ccn1 12142554 QQJBGXSHNUFATP-MAUKXSAKSA-N 337.427 1.970 0 40 EDAB O=C(NC[C@@H]1CCCN(C(=O)c2cnccn2)C1)c1cccs1 12145301 QMCXDIREPYGFGP-LBPRGKRZSA-N 330.413 1.820 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)Cn1nc(-c2ccco2)cc(N)c1=O 12146639 ZAAALKNGMWSGEL-WCQYABFASA-N 330.388 1.780 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 12187698 DKEUOWAIISJJNS-SNVBAGLBSA-N 328.390 1.111 0 40 EDAB C[C@@H]1S[C@H](C)C(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 13139511 WBIWXOYFBIBKLU-DTORHVGOSA-N 336.369 1.233 0 40 EDAB Cc1cc(OC2CN(S(=O)(=O)c3ccc(C)s3)C2)cc(=O)o1 206961523 KIFXKTUPZSCFJR-UHFFFAOYSA-N 341.410 1.770 0 40 EDAB C[C@@H](C(=O)N1CCC(N2CCCC2=O)CC1)[C@@H](N)c1ccccc1 156205354 ZYPMLBHDXKZBFR-RDTXWAMCSA-N 329.444 1.936 0 40 EDAB CC(C)CCNC(=O)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 4850571 MFPYZKHLCRUULE-UHFFFAOYSA-N 329.400 1.623 0 40 EDAB O=S(=O)(NCC1(OCCO)CCSCC1)c1ccccc1F 828765500 YMTZOJRKGCDILP-UHFFFAOYSA-N 349.449 1.379 0 40 EDAB COc1ccnc(N2C[C@H]3CN(C(=O)c4ccncc4F)C[C@@H]3C2)n1 1888844284 QLDYNPUPGZWSBQ-VXGBXAGGSA-N 343.362 1.228 0 40 EDAB O=C(NCCn1nc(C(F)(F)F)ccc1=O)c1ccc(F)cc1F 1888856867 OQYKLCXPAKOYCC-UHFFFAOYSA-N 347.243 1.970 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(Cc2ccccc2Br)CCO1 1889098131 VFMXQFQEKKANER-AWEZNQCLSA-N 339.233 1.929 0 40 EDAB NC(=O)c1cc(O[C@@H]2CCN(C(=O)/C=C/c3cccs3)C2)ccn1 253471897 GMPQREDMOKCGPJ-ITDFMYJTSA-N 343.408 1.935 0 40 EDAB Cc1noc(CNC(=O)c2ccc(OCCOC(C)(C)C)nc2)n1 225727936 CCRIHZDRBGWQOJ-UHFFFAOYSA-N 334.376 1.897 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 575611057 UAIUXXZNWGDTFQ-NSHDSACASA-N 348.380 1.307 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cn1 206713940 KJXGQKKNTKZFHB-GFCCVEGCSA-N 349.334 1.451 0 40 EDAB O=C(Nc1c[nH]ccc1=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 40088200 MJRVCTSYJDLYDP-JTQLQIEISA-N 341.323 1.095 0 40 EDAB CCn1c(=O)n(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c2ccccc21 40145758 UQVJLCQVFYXXCJ-IAGOWNOFSA-N 343.427 1.993 0 40 EDAB C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCC(C(N)=O)CC1 51186190 ULCYQXKEFZLDFV-LLVKDONJSA-N 339.386 1.209 0 40 EDAB Cn1c(=O)c2[nH]c(SCc3cccc(Cl)c3)nc2n(C)c1=O 100970419 XHCASLCJLOBMOY-UHFFFAOYSA-N 336.804 1.906 0 40 EDAB CN(C)C1(CNC(=O)CN2C(=O)COc3ccccc32)CCCC1 40523094 LEIKRBJALKDHJC-UHFFFAOYSA-N 331.416 1.403 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCc2cccc(COC)c2)o1 40536205 QXZKRQDPLQUKOD-UHFFFAOYSA-N 338.385 1.264 0 40 EDAB CC(C)Oc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 40525023 BLAVQWSCFCFUBM-UHFFFAOYSA-N 349.412 1.446 0 40 EDAB O=C(CN1CCN(c2ccccn2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 51225953 PEIFUUXEJKOYIE-DLBZAZTESA-N 344.459 1.374 0 40 EDAB Cc1cccc2nc(COC(=O)c3ccc(O)cc3O)cc(=O)n12 21108682 AJYPSYLXESUIIY-UHFFFAOYSA-N 326.308 1.771 0 40 EDAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cccnc1S 32882650 XJUULLRMBJWWDU-UHFFFAOYSA-N 330.413 1.532 0 40 EDAB Cc1cccc(-n2nnn([C@@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)c1C 103003863 XTYSWVFUHYWRRK-BNOWGMLFSA-N 332.385 1.671 0 40 EDAB COCCNC(=O)CNC(=O)CCc1ccc(-c2ccccc2)o1 22696982 VHWMNCVOLXXNJF-UHFFFAOYSA-N 330.384 1.758 0 40 EDAB Cc1cc(NC(=O)NCCCN2CCN(c3ncccn3)CC2)no1 23016058 BIJKJFFKOUTVLF-UHFFFAOYSA-N 345.407 1.107 0 40 EDAB O=C(CCNc1ncccn1)NCC(=O)Nc1ccc(Cl)cc1 54171539 DUVSMDMRCFDDPY-UHFFFAOYSA-N 333.779 1.687 0 40 EDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(OC)ccc1OC 66922 CUQSDKVSMYMOEG-AWEZNQCLSA-N 345.359 1.542 0 40 EDAB CCc1nc(CN(C)[C@H]2CCN(CC(=O)Nc3cc(C)on3)C2)no1 78891577 AIKRPDGDTKXXAO-LBPRGKRZSA-N 348.407 1.073 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@H](c2nc(C(C)C)n[nH]2)C1 78889184 UAAHJWRPJGOVRK-CQSZACIVSA-N 346.435 1.421 0 40 EDAB COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 79066191 BWSXLGQKEQMSHV-DTWKUNHWSA-N 347.293 1.857 0 40 EDAB Cc1ccc(S(=O)(=O)NCN2C(=O)c3ccccc3C2=O)cc1 1726798 GMWKCYBKVPKHAI-UHFFFAOYSA-N 330.365 1.527 0 40 EDAB CSCC[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)O 2152498 OEOIBGNZQIGCMO-JTQLQIEISA-N 326.374 1.421 0 40 EDAB biogenic COc1ccc(CCNS(=O)(=O)N2CCCCC2)cc1OC 42665938 SRDMBZFYMOVUMH-UHFFFAOYSA-N 328.434 1.567 0 40 EDAB COc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nn1 61977881 FDMSAAFCNPEDFR-UHFFFAOYSA-N 339.355 1.535 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)C[C@@H](C)O1 4308962 FKWFUYZRQFVCJI-FJZAXULXSA-N 337.420 1.123 0 40 EDAB COc1cc([C@H]2[C@H]3[C@@H](C)NC(=O)N(C)[C@H]3NC(=O)N2C)ccc1O 4597876 MARUVGFEWOBMAJ-ULTHFGNCSA-N 334.376 1.083 0 40 EDAB COc1ccccc1N(CC(=O)NCCC(C)C)S(C)(=O)=O 6325746 MSMVEUDLLPFNFG-UHFFFAOYSA-N 328.434 1.624 0 40 EDAB Cc1sc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N(C)C 6679540 HVPVVOQAMGKYIP-UHFFFAOYSA-N 339.442 1.632 0 40 EDAB Cc1nsc(N)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 24761215 GKSVIBRUBXSACE-QMMMGPOBSA-N 348.384 1.317 0 40 EDAB Cn1cc(N2CCN(C(=O)[C@H]3OCCc4ccccc43)CC2)cn1 95972783 FHDLUFWDFWKDTC-KRWDZBQOSA-N 326.400 1.383 0 40 EDAB CN(CCNc1cc(N2CCC[C@H]2CO)ncn1)Cc1ccccc1 106905940 PGGQZOAODFGIJL-KRWDZBQOSA-N 341.459 1.982 0 40 EDAB O=C(NC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccco1 100750331 LYCCSINVAQPIEZ-VXGBXAGGSA-N 343.408 1.575 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(CNC(=O)c2ccn(C)c2)cc1 89276734 RPTYLPFARLMMTF-UHFFFAOYSA-N 349.456 1.889 0 40 EDAB CCCc1c(C(=O)NCC(=O)NC(C)(C)C)[nH]c(C)c1C(=O)OC 48269680 RUJNQLZRZKFPAQ-UHFFFAOYSA-N 337.420 1.707 0 40 EDAB CC[C@H](C)NC(=O)c1ccc(NC(=O)NCc2nncn2C)cc1 54479667 DFLMDHQGZJNTDP-NSHDSACASA-N 330.392 1.665 0 40 EDAB COc1ccc(OC)c(CCC(=O)NC[C@H]2CCS(=O)(=O)C2)c1 44724137 XBPUQLXLSIDZOQ-GFCCVEGCSA-N 341.429 1.187 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCCN2CCCC2)cc(C)c1C 44895502 XCQBJNYWCSUJIS-UHFFFAOYSA-N 339.461 1.037 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1CC(F)(F)F 44893780 HFQYQTWASFDUIV-JTQLQIEISA-N 338.351 1.584 0 40 EDAB CS(=O)(=O)CCNC(=O)N1CCC(Cc2cccc(F)c2)CC1 58241485 VYLPOCCQYZLZNG-UHFFFAOYSA-N 342.436 1.834 0 40 EDAB CS(=O)(=O)NCCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 58245306 NRWUXYHDSSKHLR-NSHDSACASA-N 348.877 1.932 0 40 EDAB CC[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(N)=O 58290423 RIDZLXUIHJUYDQ-FZMZJTMJSA-N 347.440 1.932 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1nc(C2CC2)no1 44907903 XAFJPSTWORPICY-JTQLQIEISA-N 336.417 1.787 0 40 EDAB C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 44917620 RWWUESYLWUDOIH-ZDUSSCGKSA-N 348.428 1.377 0 40 EDAB O=C(NCc1ccccn1)NC[C@@]1(N2CCOCC2)CCSC1 44946357 CESAENYTMJKOEJ-INIZCTEOSA-N 336.461 1.089 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@H]2CCN(Cc3ccoc3)CC[C@@H]21 107255349 HHJDPSPTYHJBCN-HOTGVXAUSA-N 340.445 1.437 0 40 EDAB COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2OC)n1 10337505 VYAYECUVEHADED-UHFFFAOYSA-N 339.355 1.996 0 40 EDAB Cc1cccc(C(=O)NCCC(=O)Nc2sccc2C(N)=O)c1 3338502 QMGYGRWRMUKSPZ-UHFFFAOYSA-N 331.397 1.914 0 40 EDAB COCCNC(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 2146494 HVCMDUJYSLSMKL-LLVKDONJSA-N 334.397 1.500 0 40 EDAB O=C(CNC(=O)NCc1ccco1)NCCc1cc(F)cc(F)c1 58341255 HWTIHNWUIOODNA-UHFFFAOYSA-N 337.326 1.716 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C)CCCC(C)C)C1=O 58419892 SXMCIYZYPPYLST-MLGOLLRUSA-N 327.425 1.274 0 40 EDAB CN1CCN(c2cc(CNC(=O)N3CCSCC3)ccn2)CC1 48311573 HMUVBWRINTUGPK-UHFFFAOYSA-N 335.477 1.092 0 40 EDAB Cc1csc(-c2cn(C)c(=O)n(Cc3c(C)noc3C)c2=O)n1 48366795 QVXZHVPODUBPRU-UHFFFAOYSA-N 332.385 1.632 0 40 EDAB CC(C)c1cccc(S(=O)(=O)NC[C@@](C)(O)c2cnn(C)c2)c1 95433202 MCYPKZCUEYZFMP-MRXNPFEDSA-N 337.445 1.730 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)cc1OC 28996352 VIHGSSZGXPADKP-VIFPVBQESA-N 346.305 1.735 0 40 EDAB Cc1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)s1 45679197 RRKADIDQNXDORT-CQSZACIVSA-N 337.445 1.589 0 40 EDAB CCOc1ccccc1N(CC(=O)N(CC)CC)S(C)(=O)=O 22273389 HOKMTFVRRFIQID-UHFFFAOYSA-N 328.434 1.720 0 40 EDAB CC(C)CN1C[C@@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1=O 45838731 SIYIBAYAXCYAIJ-VIFPVBQESA-N 345.321 1.837 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 29594638 QMTCUQSRIQTPBK-MRXNPFEDSA-N 336.457 1.074 0 40 EDAB CCCCc1c(O)c2c(=O)n(C)c(=O)n3c2n(c1=O)-c1ccccc1-3 104269803 OPAIIAADEFAELJ-UHFFFAOYSA-N 339.351 1.202 0 40 EDAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1n1cnnc1 2700797 BSDRCQGQIJQYFD-OPQOLIRYSA-N 342.358 1.806 0 40 EDAB C[C@]1(c2ccccc2)NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O 95444445 KFZZYVLNLMBKLR-MRXNPFEDSA-N 336.413 1.278 0 40 EDAB CN(c1cnn(C)c1)S(=O)(=O)c1ccc(OCC(F)F)cc1 96009930 QCHZCMQLONAURO-UHFFFAOYSA-N 331.344 1.889 0 40 EDAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC(C)C)[C@H]4C2=O)cc1 13624289 FPOROVPGJATQNN-PASDCYSWSA-N 342.395 1.506 0 40 EDAB Cc1ccccc1CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 65539611 FMCHIQIJEWWLBP-QGZVFWFLSA-N 329.444 1.478 0 40 EDAB CN(CC(N)=O)C(=O)c1nn(-c2ccccc2Cl)c2c1CCCC2 65522732 CVTJXGILGJHPCG-UHFFFAOYSA-N 346.818 1.962 0 40 EDAB C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Br)s1 65528804 YOLZDEKHBANJFB-LURJTMIESA-N 339.236 1.020 0 40 EDAB Cc1ccc(CN(CCN(C)C)C(=O)Cn2nnc3ccccc32)o1 65588172 AGKJCEFLUADJKF-UHFFFAOYSA-N 341.415 1.923 0 40 EDAB COc1ccc(CC(=O)Nc2cccc(-n3cnnn3)c2)cc1OC 6470340 TYIUSNHVGYVLLE-UHFFFAOYSA-N 339.355 1.861 0 40 EDAB COc1ccc(NC(=O)CN(C)C(=O)CCn2nc(C)cc2C)cc1 14201573 NZJPQWLBYBJQEH-UHFFFAOYSA-N 344.415 1.996 0 40 EDAB CN1N=C(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)CCC1=O 66510892 ZAURHSATEFAVIX-UHFFFAOYSA-N 347.375 1.975 0 40 EDAB CN(C)[C@@H](CNC(=O)CSc1cccc[n+]1[O-])c1ccccc1 6879463 OWAQUDKSJFMKOV-HNNXBMFYSA-N 331.441 1.831 0 40 EDAB Cc1cc(C)c2oc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 6811319 FCKXYGCWHGXGSG-LLVKDONJSA-N 335.381 1.327 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc(C)o1 5824442 DYTHBVCPHRRZPZ-UHFFFAOYSA-N 338.385 1.516 0 40 EDAB Cc1ccc([C@H](CNC(=O)NCCN2CCOCC2)N(C)C)cc1 67003289 DBLNXFMQTKXVQN-KRWDZBQOSA-N 334.464 1.229 0 40 EDAB COc1ccc(F)cc1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 4958924 PABLUYIAMIJQHT-UHFFFAOYSA-N 349.339 1.862 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1 7051031 SMJVDHRIRMOJIF-UHFFFAOYSA-N 330.387 1.496 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)CCCOc3ccccc3)CC2)N1 71793254 VLYBTPMXWFXYTO-UHFFFAOYSA-N 331.372 1.046 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)CN(CCS(C)(=O)=O)C(C)(C)C)C1 95428214 QULGEEWMMPYKBK-KBPBESRZSA-N 332.510 1.636 0 40 EDAB CCN1CCN(c2ccccc2CN[C@H]2CCN(C(=O)OC)C2)CC1 88735332 JXYCRSDKLRVIQT-KRWDZBQOSA-N 346.475 1.759 0 40 EDAB Cc1ccc(F)c(N2CCC[C@H](NC(=O)CCS(C)(=O)=O)C2)c1 96409298 GIFATONFFYQXAX-ZDUSSCGKSA-N 342.436 1.654 0 40 EDAB O=C(CO)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 96495291 GLPDOAKOHFHEFQ-LBPRGKRZSA-N 330.306 1.305 0 40 EDAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccccc1 7916310 BPDIYEDVLVBNTD-UHFFFAOYSA-N 327.315 1.959 0 40 EDAB O=C(NCCn1cccc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 81785505 JYTPPRDJNVOLNH-INIZCTEOSA-N 347.440 1.458 0 40 EDAB COc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 8287244 NGUBBHBGUYZKON-UHFFFAOYSA-N 325.324 1.337 0 40 EDAB O=C(Nc1nccs1)[C@@H]1CCCN1S(=O)(=O)N1CCCCC1 69378160 FYKJODUQVAESNS-NSHDSACASA-N 344.462 1.277 0 40 EDAB Cc1cc(C)n(C2CN(Cc3csc(CC(=O)N(C)C)n3)C2)n1 71880936 NALLUPLKUBAYTK-UHFFFAOYSA-N 333.461 1.644 0 40 EDAB COc1cc(CNC(=O)Cc2ccc(C)s2)ccc1OCC(N)=O 71824213 BMKIDEOXQMDAGM-UHFFFAOYSA-N 348.424 1.788 0 40 EDAB O=C(CN1C(=O)CNC1=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 71840963 UVGJUWCPLYKRST-UHFFFAOYSA-N 342.182 1.651 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@@H](N2CCNC2=O)C1 71830606 KOMONWCKBKMXOW-CQSZACIVSA-N 345.399 1.017 0 40 EDAB O=C(Nc1cccnc1-n1cccn1)[C@H]1CCCN(C(=O)C2CC2)C1 69458186 HVOZVIZHTFMVOU-AWEZNQCLSA-N 339.399 1.854 0 40 EDAB O=C(CCSc1nncs1)N1CCN(c2ccccn2)CC1 69453131 AZKBFAGFXSYVGP-UHFFFAOYSA-N 335.458 1.764 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CCC(=O)Nc3cc(C)on3)CC2)n1 69442813 XZQHEPZRMJYVQI-GFCCVEGCSA-N 348.407 1.382 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@@H](n3cccn3)C2)ccc1=O 69432733 SNHTZORBYBRKHG-OAHLLOKOSA-N 330.388 1.169 0 40 EDAB O=S(=O)(CCN1CCCC[C@H]1Cn1cncn1)c1ccccc1 69619100 YPAROVAVXHPOQY-HNNXBMFYSA-N 334.445 1.607 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)CCCn3cccn3)CC2)n1 69652576 LOEWNDIQGQVGCT-UHFFFAOYSA-N 344.419 1.119 0 40 EDAB Cc1cc(CS(=O)(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)no1 69620893 SRLLGORBBFFIGJ-JQWIXIFHSA-N 329.422 1.192 0 40 EDAB CN(C)CCOc1cc(C(=O)N2CCC(n3cccn3)CC2)ccn1 96500622 GDAYPOGXYGWFNR-UHFFFAOYSA-N 343.431 1.696 0 40 EDAB CCOCCO[C@H](C)C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 69705877 IREYVULAXVHNOK-ZIAGYGMSSA-N 344.452 1.944 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)NC[C@@H]3CCCCO3)CC2=O)cc1 71924306 LSSMUEATTQJCSS-WBVHZDCISA-N 346.427 1.729 0 40 EDAB CC[C@H]1CCCCN1C(=O)CNCC1CCN(C[C@@H](C)O)CC1 69898295 VPWRXKBHJGFVLW-WBVHZDCISA-N 325.497 1.460 0 40 EDAB C[C@H](O)CN1CCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 69843131 SLFDRFIYTNDUCB-UONOGXRCSA-N 339.867 1.343 0 40 EDAB CS(=O)(=O)NCCC(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 69917473 JECJSPTWEYSDQI-OAHLLOKOSA-N 342.436 1.689 0 40 EDAB Cc1ccc(-c2noc(CN3CCO[C@@H](CN(C)C)C3)n2)cc1F 69951358 LMEDWHKZPPMTBJ-AWEZNQCLSA-N 334.395 1.947 0 40 EDAB CC(C)[C@@H](C(=O)N(C)CC(=O)N(C)C)n1nnc(-c2ccccc2)n1 69950928 CSIKIJJOPROADI-HNNXBMFYSA-N 344.419 1.084 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N1CCC[C@@H]1c1cccs1)CC2 69969605 YCWFTPVSMWGYMT-ZIAGYGMSSA-N 345.472 1.916 0 40 EDAB NS(=O)(=O)c1cc(C(=O)OCCOc2ccccc2)cs1 18387639 HIMZTJPFROLUKF-UHFFFAOYSA-N 327.383 1.631 0 40 EDAB COc1ccc(CN2CCN(C(=O)CC(F)(F)F)CC2)cc1O 92663271 IEOAXHWJIIPNTA-UHFFFAOYSA-N 332.322 1.997 0 40 EDAB O=C1C[C@@H](C(F)(F)F)N(S(=O)(=O)c2cccs2)CCN1 97048793 ATVHXNZJDXPRGF-ZETCQYMHSA-N 328.337 1.190 0 40 EDAB CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(CC3CC3)C2)c1 97022682 LVKKBYZUQPXKTR-HNNXBMFYSA-N 336.457 1.694 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCc1ccc(C(=O)N3CCCC3)cc1)CC2 72268051 FDIYJACECHRXQT-KRWDZBQOSA-N 339.443 1.927 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)n1 72279929 LOMZRJOTPPRVDU-CABCVRRESA-N 339.461 1.316 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)c3cccc4c3OCC(=O)N4)C2)no1 72273726 QSYHIIRRUSNOAR-NSHDSACASA-N 342.355 1.729 0 40 EDAB Cn1cccc1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1 72304614 FHHDFDFPSCYGLL-UHFFFAOYSA-N 333.413 1.495 0 40 EDAB NS(=O)(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 84363680 YBRPSDZVNMLGFG-VIFPVBQESA-N 334.239 1.069 0 40 EDAB Cn1cc(C[C@H]2CCN(C(=O)NCc3cccc(C(N)=O)c3)C2)cn1 84318249 XSQZBYVWENJJFZ-CQSZACIVSA-N 341.415 1.293 0 40 EDAB CC(C)(C)c1nc(N2CCN(c3ccc(C(N)=O)cc3)CC2)no1 95939879 NEAGHOAMUQHZCD-UHFFFAOYSA-N 329.404 1.793 0 40 EDAB N[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75126073 HHPFCGJNINGXSO-NSHDSACASA-N 325.290 1.902 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)CCCn1cnc2ccccc2c1=O 89937938 WTKRBPQIJKSBOQ-CQSZACIVSA-N 328.416 1.339 0 40 EDAB CCNC(=O)CNC(=O)Nc1nnc(Cc2cccc(OC)c2)s1 75607057 GAZOOGSMTUERNO-UHFFFAOYSA-N 349.416 1.395 0 40 EDAB Cc1noc(CNC(=O)C2CN(c3nc4ccccc4s3)C2)n1 62167095 WXQCQIRYBKYXCX-UHFFFAOYSA-N 329.385 1.740 0 40 EDAB COc1ccc(C(N)=O)c(OCC(=O)NCc2ccc(C)c(F)c2)c1 24790158 OQJXCPNWPWVLAE-UHFFFAOYSA-N 346.358 1.937 0 40 EDAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCOCC3)ccc21 225701906 VUMIUNWJKGYFMZ-UHFFFAOYSA-N 342.442 1.665 0 40 EDAB Cc1occc1C(=O)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 306126005 DIXHFZWMOBTBFW-NWANDNLSSA-N 328.372 1.577 0 40 EDAB CC1=NNC(=O)[C@H]1CCNC(=O)c1ccc(O[C@H]2CC2(F)F)cc1 528552619 ONKFQJITTNPJJR-STQMWFEESA-N 337.326 1.715 0 40 EDAB O=C([C@H](CNCc1ccccn1)c1ccccc1)N1CCOCC1 78553732 OIJMYQPTJGKAIF-GOSISDBHSA-N 325.412 1.814 0 40 EDAB O=CN1CCN(C(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 39765725 CNCUFUZTWWGWMI-UHFFFAOYSA-N 349.862 1.853 0 40 EDAB COC(=O)c1n[nH]cc1CN1CCC[C@@H](C(=O)c2nccn2C)C1 77303701 KKBNXFQXOQNSCV-LLVKDONJSA-N 331.376 1.025 0 40 EDAB COc1c([C@H]2CC(=O)Nc3nc(N)sc32)cc2c(c1OC)OCO2 35325413 KTXOSSKIPILACW-SSDOTTSWSA-N 349.368 1.945 0 40 EDAB C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(F)c(F)c(O)c1F 183617121 GJWXTTLWWMNQBM-BQBZGAKWSA-N 339.335 1.703 0 40 EDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc(F)ccc1F 71980085 QQWCTFUNFQREBU-ZDUSSCGKSA-N 340.326 1.312 0 40 EDAB CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCCN2CCC[C@@H]2C1 69813465 GKIYUGGRHQTIRS-KGLIPLIRSA-N 339.505 1.631 0 40 EDAB Cc1c(C(=O)OCC(N)=O)cnn1-c1cccc(Br)c1 69874237 IACJQAXTTZYQNB-UHFFFAOYSA-N 338.161 1.585 0 40 EDAB Cn1cc(C(=O)N2CC[C@H](c3ccc4sc(N)nc4n3)C2)cn1 72368546 VVOGQLCKOKJYHF-VIFPVBQESA-N 328.401 1.637 0 40 EDAB Cc1cc(C(F)(F)F)nc(CCNC(=O)c2snnc2C)n1 75170655 RVQHUTLUDLPVIJ-UHFFFAOYSA-N 331.323 1.936 0 40 EDAB COCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241368 JHDOVHXBDYEYJV-HUUCEWRRSA-N 340.807 1.391 0 40 EDAB C[C@H]1COc2ccccc2CN1C(=O)c1ccn(CCN(C)C)n1 566450645 INVJZDJQVAFMQR-AWEZNQCLSA-N 328.416 1.868 0 40 EDAB O=S(=O)(CCNCc1ccc(Cl)c(F)c1)N1CCOCC1 78553477 RSRATQBOTNNTPJ-UHFFFAOYSA-N 336.816 1.231 0 40 EDAB C[C@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)[C@@H](C)n1cccn1 69899365 VNQBYFLCJMLRND-ZENOOKHLSA-N 337.445 1.559 0 40 EDAB O=C(NCCc1c[nH]c2ccccc12)NC[C@@H]1CCS(=O)(=O)C1 45654300 HOEHXNWLZXMLQB-LBPRGKRZSA-N 335.429 1.444 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2nccs2)cc1F 226744021 PCILFKZHIWMNAV-UHFFFAOYSA-N 345.377 1.208 0 40 EDAB CN(C)[C@@H]1Cc2ccccc2N(S(=O)(=O)CCN2CCCC2)C1 192625810 MLHMZQKDNYIOQJ-MRXNPFEDSA-N 337.489 1.405 0 40 EDAB Cc1ccnc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)c1 226687068 LTLXZCIKMXELHJ-UHFFFAOYSA-N 349.412 1.658 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@H](C)Oc1ccn(-c2ccccc2)n1 226853159 DDOAKLYIAAKCBC-AWEZNQCLSA-N 344.415 1.671 0 40 EDAB CCN1CN(C(=O)NCc2ccc(Br)s2)CC1=O 195580010 QIFFYSDZRSFLRN-UHFFFAOYSA-N 332.223 1.842 0 40 EDAB CC(=O)N1CCN(C(=O)c2c(CO)noc2C)CC12CCCCC2 574338044 OJIGFGAIVPJISA-UHFFFAOYSA-N 335.404 1.483 0 40 EDAB Cn1nc2c(cc1=O)C[C@H](NC(=O)c1ccc3ncsc3c1)CC2 225787100 FKECECBWNGBLBW-GFCCVEGCSA-N 340.408 1.677 0 40 EDAB CS(=O)(=O)C[C@@H]1CCCCN1C(=O)C1CN(C2CCCCC2)C1 333785623 WITJQMSOQYSWBH-INIZCTEOSA-N 342.505 1.677 0 40 EDAB O=C(Nc1cccc2c1OCO2)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 576677391 SRDKAZYFEMGIIH-WCQYABFASA-N 338.385 1.599 0 40 EDAB c1cc(-c2c[nH]c([C@@H]3COCCN3Cc3csnn3)n2)ccn1 96296190 XKXLKLNSLRIVAB-AWEZNQCLSA-N 328.401 1.897 0 40 EDAB biogenic,in-vitro Cc1ccc(NCc2cn3c(n2)CN(C[C@H]2CCOC2)CC3)nn1 96068070 INZXPQFLDNRGKA-CQSZACIVSA-N 328.420 1.446 0 40 EDAB C[C@@H](C(=O)N(C)C)[S@@](=O)c1nncn1CCc1cccs1 96452458 AZFQUFBTEPZKNQ-CWKPULSASA-N 326.447 1.167 0 40 EDAB CN(C)C1CCN(CCNC(=O)N2CCSC(C)(C)C2)CC1 96485467 JDNYANNAEHTZGQ-UHFFFAOYSA-N 328.526 1.549 0 40 EDAB Cn1cc(-c2cnc(N3CCOCC3)nc2)cc1C(=O)N1CCCC1 96266318 KHXVSSNJZYHMQD-UHFFFAOYSA-N 341.415 1.555 0 40 EDAB CCCS(=O)(=O)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 96042484 JLKYNENMOSGNPN-OAGGEKHMSA-N 340.445 1.570 0 40 EDAB CCN(C(=O)N1CCN(c2ccc3nnc(C)n3n2)CC1)C(C)C 97377833 VZBJOTLCYOOWGM-UHFFFAOYSA-N 331.424 1.405 0 40 EDAB CCc1noc(C)c1CN1CCC(N2CCS(=O)(=O)CC2)CC1 97094667 WSZVZKKRESKSMK-UHFFFAOYSA-N 341.477 1.240 0 40 EDAB c1ccc(COC[C@@H]2CN([C@@H]3CCOC3)Cc3nccn3C2)nc1 96188142 NNPROJCPTNVQQQ-DOTOQJQBSA-N 328.416 1.716 0 40 EDAB COCCN1C[C@@H]2CN(Cc3cccs3)CCC[C@]2(C(=O)O)C1 96185168 WTHJPVJGYQDMMW-YOEHRIQHSA-N 338.473 1.993 0 40 EDAB Cc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 96306510 BDXUPVXZKHRHGZ-NSHDSACASA-N 339.399 1.530 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccncc3)C2)O1 96208956 VROXISMHOMLJKR-JKSUJKDBSA-N 339.461 1.144 0 40 EDAB COc1cc(CCC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)on1 230204039 AUEXIFRSRQIDGW-CHWSQXEVSA-N 343.383 1.423 0 40 EDAB CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@H]([C@@H](C)O)C1 96485679 QNUHVJWEPJBOLB-QAPCUYQASA-N 332.444 1.697 0 40 EDAB O=C(c1ccno1)N1CCC[C@@]2(C[C@H](Oc3ncccn3)CO2)C1 96073677 OXGVGSMODGJWFO-BLLLJJGKSA-N 330.344 1.307 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(C(=O)c3cccn3C)CCN2C)c1 257282673 OUTIIDPHCYBIIQ-QGZVFWFLSA-N 340.427 1.514 0 40 EDAB Cc1cc(CNC(=O)NC2CCN(S(C)(=O)=O)CC2)ccc1F 26280777 RXOOWDYDZMOZLN-UHFFFAOYSA-N 343.424 1.357 0 40 EDAB CN(C)C(=O)CN1CC[C@H](c2c(C(N)=O)sc3ncccc23)C1 257246735 IVOVAVLRRUTWAL-JTQLQIEISA-N 332.429 1.273 0 40 EDAB COc1cc(CCC(=O)NCc2ccnc([C@H]3CCCOC3)n2)on1 257222945 DVFYFICKNLABJT-LBPRGKRZSA-N 346.387 1.616 0 40 EDAB c1ccc(COC[C@H]2CN([C@H]3CCOC3)Cc3ccnn3C2)nc1 253588594 JJANFKZRZLXKJJ-YJBOKZPZSA-N 328.416 1.716 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2C(=O)NCC2(C)C)cc1Cl 585094102 AZOFXJCZFFEUKK-LLVKDONJSA-N 332.809 1.152 0 40 EDAB CCOc1cccc(S(=O)(=O)N(C)C[C@H](O)C(F)(F)F)c1 252481494 CNBOAOFUAZAUAJ-NSHDSACASA-N 327.324 1.629 0 40 EDAB CC(C)(CCCO)CNS(=O)(=O)C[C@H]1COc2ccccc2O1 585115893 YKESXEWYXZWPMS-CYBMUJFWSA-N 343.445 1.545 0 40 EDAB CCOC(=O)[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)[C@H](O)c1ccncc1 585128595 HEWRVIXQQGMKFY-KATVLWTNSA-N 346.427 1.989 0 40 EDAB C[C@@H](CCO)NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 585114158 RZCQJBIKIKMWNC-STQMWFEESA-N 342.436 1.290 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@@](O)(c1ccoc1)c1cccs1 253473700 XJXBKOMQWAEOAD-MRXNPFEDSA-N 347.396 1.749 0 40 EDAB O=C(CCN1CCO[C@@H](Cn2ccnn2)C1)Nc1cccc(F)c1 585116204 LBKAMZWDXAUQRR-OAHLLOKOSA-N 333.367 1.147 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(Cc3ccn(C)n3)CCN2C)c1 257288731 PVJSQJQSMWRKDC-QGZVFWFLSA-N 327.432 1.268 0 40 EDAB CCCn1nccc1-c1cc([C@@H]2CCN(S(C)(=O)=O)C2)nc(C)n1 257318687 VOZVOVQDZRUWKM-CYBMUJFWSA-N 349.460 1.807 0 40 EDAB COC(=O)[C@H]1CCN(C(=O)c2ccc(F)c(C)c2)[C@H](C(=O)OC)C1 272682220 MFRQFCKCROMBFR-JSGCOSHPSA-N 337.347 1.701 0 40 EDAB COC(=O)c1c[nH]nc1S(=O)(=O)N1CC(C)(C)c2ccccc21 603291447 FXEDCKCHLCGESG-UHFFFAOYSA-N 335.385 1.683 0 40 EDAB O=S(=O)(NCc1ccccn1)c1cccc(N2CC=CCC2)n1 1615053287 HZVVOLPUSXTOSY-UHFFFAOYSA-N 330.413 1.721 0 40 EDAB O[C@@H](CN1CCN(Cc2ccc(-n3ccnc3)nc2)CC1)C1CC1 1615583685 MGFHZKLJRXKXSP-KRWDZBQOSA-N 327.432 1.156 0 40 EDAB CCc1cc(N2CCC[C@@H](c3nnc(CO)n3C)C2)nc(CC)n1 1615614460 HAAXCTXSJNTENB-GFCCVEGCSA-N 330.436 1.606 0 40 EDAB CCCCNC(=O)[C@@H]1CSCN1C(=O)Cc1ccc2c[nH]nc2c1 390833877 OISCCIUAFSONDG-HNNXBMFYSA-N 346.456 1.923 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575405058 REFGPEYJCQLCJA-UKRRQHHQSA-N 334.441 1.721 0 40 EDAB O=C(COc1ccccc1F)NCCn1cnc(C2CC2)cc1=O 575413780 OLULQNDSUVVOQK-UHFFFAOYSA-N 331.347 1.455 0 40 EDAB O=C(c1cc[nH]c1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 585108559 GHRCDSXBTSCUJL-IKGGRYGDSA-N 327.384 1.999 0 40 EDAB CCc1ncnc(N2CC[C@H](NC(=O)Cn3nccc3C)C2)c1F 1058563179 BQPQOHKXBAETGG-LBPRGKRZSA-N 332.383 1.078 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 72270865 MDLCYLSQHDDXRY-HZPDHXFCSA-N 339.395 1.692 0 40 EDAB Cn1cnnc1[C@H]1CCCN(C(=O)NCCCOCc2ccco2)C1 48229762 DNMGSAUSLUOUOP-AWEZNQCLSA-N 347.419 1.904 0 40 EDAB C[C@@H](NC(=O)NCCCNS(C)(=O)=O)c1cc2ccccc2o1 40498439 HQHVBNYWVGWFJQ-LLVKDONJSA-N 339.417 1.732 0 40 EDAB CC(C)[C@@](C)(CNC(=O)COCC1CC1)NC(=O)COCC1CC1 75612057 CSGYICKWODMKAJ-GOSISDBHSA-N 340.464 1.487 0 40 EDAB O=C(NCCNc1nnnn1-c1ccccc1)[C@@H]1C[C@H]1c1ccco1 84572627 VIHCGBQUWYWKNO-ZIAGYGMSSA-N 338.371 1.587 0 40 EDAB CN1CCN(c2ccccc2NC(=O)N[C@H](C(N)=O)C(C)(C)C)CC1 79107212 MIJHOUPAXNETMS-OAHLLOKOSA-N 347.463 1.460 0 40 EDAB COc1cc(F)c(S(=O)(=O)NC[C@@H]2CCO[C@@H](C)C2)cc1OC 95457560 LQBSDXHNJSBPMN-WDEREUQCSA-N 347.408 1.936 0 40 EDAB Cc1cc2n(n1)C1(CCN(Cc3cnn(C)c3)CC1)CC(=O)N2C 1772596216 WOMOJZKNSJMMBY-UHFFFAOYSA-N 328.420 1.283 0 40 EDAB O=C(O)[C@H]1CN(C(=O)CCn2cccn2)C[C@@H]1c1ccc(F)cc1 12158553 MNNRBZDPDNRBHG-CABCVRRESA-N 331.347 1.739 0 40 EDAB Cc1ncc(CN2CCc3nc4sccc4c(=O)n3CC2)n1C 12221628 BUTFFYALMWICIC-UHFFFAOYSA-N 329.429 1.558 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4C)CC2)cc1 13532440 PTJAWUJHNVLSKS-UHFFFAOYSA-N 337.387 1.029 0 40 EDAB COc1ccc(Cl)c(S(=O)(=O)N[C@H]2C(=O)NCC2(C)C)c1 585094168 KVIQLPDZZJISRH-NSHDSACASA-N 332.809 1.152 0 40 EDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(S(C)(=O)=O)cc1 3363679 REMJNJQGWUGPDR-UHFFFAOYSA-N 340.445 1.467 0 40 EDAB O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1cc(F)cc(F)c1 10507810 YIWCWRIVUBJVSR-UHFFFAOYSA-N 338.295 1.708 0 40 EDAB COCC(=O)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 1142819068 SCXAZUFVRUMCLR-MRXNPFEDSA-N 339.386 1.788 0 40 EDAB Cc1cc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)n2ncnc2n1 2087131239 QXYZUVGGSMAANQ-CYBMUJFWSA-N 330.436 1.906 0 40 EDAB COc1cc(OC)nc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)n1 2087136694 YATNVTBCKDXTHY-GFCCVEGCSA-N 336.436 1.967 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 1565544464 HUJLWCFDRQXGDE-WXSAJPJJSA-N 344.386 1.674 0 40 EDAB CC(C)[C@H](Cn1cncn1)NC(=O)c1cnn(-c2ccccc2)n1 575617572 UWLJCLBVXBQGND-HNNXBMFYSA-N 325.376 1.313 0 40 EDAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 108523351 LZMUKDFGKJKUTL-BYNSBNAKSA-N 342.395 1.461 0 40 EDAB biogenic C[C@H]1CN([C@@H](C)CNC(=O)NCc2ccc3c(c2)OCO3)C[C@@H](C)O1 31049783 CUDOCSMOJSCTLX-MELADBBJSA-N 349.431 1.712 0 40 EDAB CN1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 20388357 VNHXWLBWLGSEEM-UHFFFAOYSA-N 326.322 1.829 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)NCCc3cccnc3)ccc21 40496173 DHLNOPNEKOCWOR-UHFFFAOYSA-N 345.424 1.512 0 40 EDAB CC(C)N(CCCNC(=O)Cc1ccccc1F)S(C)(=O)=O 40535333 MAOVYEBMJDRSSO-UHFFFAOYSA-N 330.425 1.545 0 40 EDAB C[C@@H](NC(N)=O)C(=O)NCc1cccc(OCc2ccccn2)c1 40529396 FYHVCADBBDQEED-GFCCVEGCSA-N 328.372 1.334 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)c1cccc(F)c1 32728891 QHSJNHUVOGAOGN-INIZCTEOSA-N 329.375 1.957 0 40 EDAB CCOc1cc2c(cc1CNC(=O)c1nccnc1N)O[C@@H](C)C2 32860458 MWBKCJYNIPNCKG-JTQLQIEISA-N 328.372 1.711 0 40 EDAB COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl 21791305 STKGVHURXXSTBO-UHFFFAOYSA-N 328.173 1.616 0 40 EDAB COc1ccc([C@@H](O)CN2CCN(c3ncccn3)CC2)cc1F 52798556 VHBGZHAUCXVNBQ-HNNXBMFYSA-N 332.379 1.480 0 40 EDAB CC(=O)Nc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 796216 WKIRWQJKXMUKDC-UHFFFAOYSA-N 339.417 1.255 0 40 EDAB CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)OCC)CC2)cc1 47561570 MXYIJYHLHVOHJM-UHFFFAOYSA-N 348.403 1.742 0 40 EDAB CCCCN1C(=O)[C@@](NC(C)=O)(C(F)(F)F)C(C(=O)OC)=C1C 12419934 FJDTWYYPPYPQQN-CYBMUJFWSA-N 336.310 1.513 0 40 EDAB C[C@@H](CNC(=O)c1ccc(I)cc1)C(=O)O 54309828 ALTCPMQUMYGLRT-ZETCQYMHSA-N 333.125 1.742 0 40 EDAB CCOc1nc(Nc2ccc(OC)cc2)nc(N2CCOCC2)n1 910011 WWAJKVCSXJUYSX-UHFFFAOYSA-N 331.376 1.859 0 40 EDAB COC(=O)c1cccc(C(=O)NCC2(N3CCOCC3)CCCC2)c1 78879377 DNLPXDLHBPHDGN-UHFFFAOYSA-N 346.427 1.848 0 40 EDAB CSc1nc(C)c(Br)c(Nc2c[nH]c(=O)[nH]c2=O)n1 1686834 AXKZRWDUGASBCE-UHFFFAOYSA-N 344.194 1.390 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 105756818 VJNGEDVZDHFVBH-GRBUOMEOSA-N 331.865 1.868 0 40 EDAB CC(=O)NC1=NC(=O)/C(=C\c2coc3ccc(Cl)cc3c2=O)N1C 4712342 AOXSOGPJKTYXIP-LFYBBSHMSA-N 345.742 1.751 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(-n2ccnc2)nc1 25010361 OJWBAYXOVXORBA-UHFFFAOYSA-N 347.338 1.011 0 40 EDAB C[C@H]1CN(CC(=O)Nc2ccccc2N2CCOCC2)[C@@H](C)CO1 106623630 QNVSCXVHLGWSBV-GJZGRUSLSA-N 333.432 1.571 0 40 EDAB CN(CC(=O)N[C@@H]1CCCc2ccccc21)c1ncnc2[nH]cnc12 56068088 XOQRZSAKWJDYHM-CQSZACIVSA-N 336.399 1.983 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@H]1CCN(C[C@H]2CCOC2)C1 107354284 HDZZWPIFIUGPEN-HIFRSBDPSA-N 334.420 1.406 0 40 EDAB C[S@](=O)c1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1 25834920 URVNUPRXTAXXCK-HSZRJFAPSA-N 330.413 1.176 0 40 EDAB CCn1nc(C(=O)N[C@H]2CCc3nccn3C2)c2ccccc2c1=O 97197831 ZWILYHNSFLFLAV-LBPRGKRZSA-N 337.383 1.358 0 40 EDAB C[C@@H]1OCCN(C(=O)N[C@H](Cn2cncn2)c2ccccc2)[C@@H]1C 108358677 ZTMPPQPMVZOPBA-IJEWVQPXSA-N 329.404 1.838 0 40 EDAB CCn1cc(CN2CCc3nc4cc(C)nn4c(O)c3CC2)cn1 100775105 OFXMSWKWMIKGOZ-UHFFFAOYSA-N 326.404 1.561 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 10270932 QSUZAGMCTRJASM-UHFFFAOYSA-N 348.428 1.231 0 40 EDAB CS[C@H](C)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 58282576 AXNISVVHDIPLTR-IUODEOHRSA-N 336.457 1.963 0 40 EDAB C[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O)c1ccc2c(c1)OCO2 102353971 GYMUAMRCBNXAOE-NQPRIPBZSA-N 331.324 1.247 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)Cn1nc(-c2ccccc2)ccc1=O 58264628 APOVCSJODDZZCK-HNNXBMFYSA-N 341.411 1.795 0 40 EDAB COc1cccc([C@H](C)N(c2cnn(C)c2)S(=O)(=O)N(C)C)c1 58296964 DUYOCLAXLZJFNZ-LBPRGKRZSA-N 338.433 1.803 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2C)n(C)c1 27761142 CSUVORKWDBIFBE-UHFFFAOYSA-N 335.429 1.514 0 40 EDAB COc1ncccc1CNC(=O)NC[C@H](C)N1C[C@H](C)O[C@H](C)C1 44914766 WXDYBLFLKDEBFV-MELADBBJSA-N 336.436 1.387 0 40 EDAB C[C@H]1CN(CCNC(=O)NCCc2cn3ccccc3n2)C[C@H](C)O1 44953479 JYFUGOQQLHFLPU-GJZGRUSLSA-N 345.447 1.285 0 40 EDAB C[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)[C@@H]1CCCO1 27868262 JMYPGTGHYTWRQG-NHYWBVRUSA-N 338.429 1.306 0 40 EDAB O=c1ccnc2sc(N[C@@H]3CCN(Cc4ccccc4)C3)nn12 48235340 KNLZDEIWNAELLX-CYBMUJFWSA-N 327.413 1.837 0 40 EDAB CN(CC(=O)NCc1cccc2cccnc12)c1ncnc2[nH]cnc12 58343816 XCTFIXZSEHYQMC-UHFFFAOYSA-N 347.382 1.654 0 40 EDAB CCCNC(=O)NC(=O)CN1CCCN(C(=O)OCC(C)C)CC1 58315660 VKXONSUIMMDYKX-UHFFFAOYSA-N 342.440 1.023 0 40 EDAB O=C(CS(=O)(=O)CC(F)(F)F)NCCc1c(F)cccc1F 84339114 WGPWMLXRBWIUDN-UHFFFAOYSA-N 345.289 1.601 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)OCC(=O)c1ccc(O)cc1O 28074784 CRABEMUGRVSCBV-UHFFFAOYSA-N 343.291 1.432 0 40 EDAB CCSc1ccc(NC(=O)NCC(=O)NCC(F)(F)F)cn1 58437332 SCZQALOMQVJUOD-UHFFFAOYSA-N 336.339 1.994 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(OC(F)F)cc1 58403383 HKXDLJOVXMOGLE-TZMCWYRMSA-N 326.343 1.881 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(F)cc1 102082702 IDVDEANEZAKCMX-HGDXVPPDSA-N 340.354 1.817 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)[C@H]2COc3ccccc3C2)cc1 12755108 MIYNPXRDGGCIGH-CQSZACIVSA-N 346.408 1.202 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2 28325832 KFWKGVXSPLYZBT-INIZCTEOSA-N 334.441 1.607 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)N(C)Cc1cnn(C)c1 23400593 HIERFSRFNHOQTO-UHFFFAOYSA-N 329.403 1.089 0 40 EDAB C[C@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)C[C@@H]1CCCO1 45762779 WPISIBLCUOMCPO-HIFRSBDPSA-N 337.441 1.948 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 48326318 PWKPPJZUTUCAHY-ZDUSSCGKSA-N 332.791 1.840 0 40 EDAB c1cncc(CN2CCOC[C@]3(C[C@@H](CN4CCCC4)CO3)C2)c1 107738826 QGXSIALJKWBLOP-OALUTQOASA-N 331.460 1.785 0 40 EDAB Cc1cc(COC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)no1 45838657 BBELBVDVQXQQMW-LLVKDONJSA-N 344.323 1.808 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NCc2cccnc2OC2CCCC2)C1 45933549 GDHBLBHCZPRASZ-CYBMUJFWSA-N 332.404 1.420 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(C(=O)C(C)C)CC1 12889522 YKKSACUIRZXCPN-AWEZNQCLSA-N 335.452 1.164 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 97375594 BODUWVOSRYDHDQ-MRXNPFEDSA-N 333.457 1.720 0 40 EDAB CC(C)N(CCCNC(=O)CCc1cccnc1)S(C)(=O)=O 47044257 MFNSMIHRDCBRNL-UHFFFAOYSA-N 327.450 1.191 0 40 EDAB CCN(CCC(=O)O)S(=O)(=O)c1cccc(Br)c1 38023700 DAUHRCBKUMFRHU-UHFFFAOYSA-N 336.207 1.934 0 40 EDAB COC(=O)CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 12988034 UHASVAJVHZDYJD-UHFFFAOYSA-N 349.412 1.396 0 40 EDAB CC(=O)c1cc2c(cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1)OCO2 38332973 VCCQVZCXPYCCJO-QWRGUYRKSA-N 334.372 1.666 0 40 EDAB C[C@H](Cn1cncn1)N[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 95421168 ZSHVNOLDTFUIOX-ZIAGYGMSSA-N 349.460 1.557 0 40 EDAB Cc1cccc(C(=O)O)c1NC(=O)CSc1nnnn1C1CC1 13276497 CDBYIOWDVNONHQ-UHFFFAOYSA-N 333.373 1.745 0 40 EDAB CC[C@H](C)[C@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007688 BWYOOKXQVRTMRE-WCBMZHEXSA-N 326.340 1.786 0 40 EDAB NC(=O)c1cn(C2CN(C(=O)c3ccccc3-c3ccccc3)C2)nn1 95997880 FQNFKKZLKNNCBG-UHFFFAOYSA-N 347.378 1.741 0 40 EDAB Cc1cc(-c2noc(CCC(=O)N3CC[C@@H](C(N)=O)C3)n2)ccc1F 65473803 BRIWHBJILRXLFH-GFCCVEGCSA-N 346.362 1.451 0 40 EDAB CC(C)CN1CCC(C(=O)NCCNC(=O)c2cccs2)CC1 65406040 JKYDRHUFLKZLIU-UHFFFAOYSA-N 337.489 1.962 0 40 EDAB CCn1nc(C(=O)Nc2ccccc2C(N)=O)c2ccccc2c1=O 14022437 IYDUYDCKZBTQLG-UHFFFAOYSA-N 336.351 1.768 0 40 EDAB CCCOc1ccccc1OCC(=O)N1CCN(C(=O)C2CC2)CC1 14170775 XKHDUDUCDUAIID-UHFFFAOYSA-N 346.427 1.935 0 40 EDAB CC(=O)N1CCN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CC1 65607253 PKLJVCKJMIKXAR-UHFFFAOYSA-N 327.388 1.450 0 40 EDAB Cc1ccccc1NC(=O)C[C@@H]1SC(N2CCOCC2)=NC1=O 6581377 WUFMRMANTDLKRR-ZDUSSCGKSA-N 333.413 1.654 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)OCC(=O)N1CCCCCC1 6547712 PJHWDVBEHBOOKM-UHFFFAOYSA-N 343.383 1.342 0 40 EDAB COc1cc(OC)c([C@H]2NS(=O)(=O)N=C3CCCN32)c(OC)c1 6550033 AYAZLUBZMDWRHU-AWEZNQCLSA-N 341.389 1.053 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)NC[C@@H]1COc2ccccc2O1 5631019 VGTDNXUTLOPSOH-CQSZACIVSA-N 341.363 1.957 0 40 EDAB NC(=O)c1ccsc1NC(=O)Cn1cnc2ccccc2c1=O 5752416 QUFCBZZUHBRYED-UHFFFAOYSA-N 328.353 1.196 0 40 EDAB Cc1nccn1-c1ccc(NC(=O)CN(C)[C@@H]2CCSC2)cn1 95978323 NBBWXAYHZCFCHU-CQSZACIVSA-N 331.445 1.952 0 40 EDAB O=C1COc2ccc(NC(=O)c3cccnc3-n3cncn3)cc2N1 24918928 PPYBUDPCDSOOIF-UHFFFAOYSA-N 336.311 1.246 0 40 EDAB CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)O 95969882 KVVHZNOFFYBDOC-AAEUAGOBSA-N 326.437 1.887 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15515207 DONLGSAAYKPMKH-UHFFFAOYSA-N 334.339 1.998 0 40 EDAB c1nc(N2CCCN(Cc3noc(C4CC4)n3)CC2)c2cc[nH]c2n1 71859552 WUSIAFUFADIKCR-UHFFFAOYSA-N 339.403 1.931 0 40 EDAB Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCC[C@H]1Cn1cccn1 71872034 SWLGASAEBFRSFX-NSHDSACASA-N 343.416 1.738 0 40 EDAB C[C@H](CNC(=O)COCCOc1ccccc1)CN1CCOCC1 71915574 VNPWEICBJLXQRD-MRXNPFEDSA-N 336.432 1.167 0 40 EDAB CCCNC(=O)CNC(=O)CCNC(=O)c1ccc(Cl)cc1 8032397 GWNPELWRBSEEAT-UHFFFAOYSA-N 325.796 1.102 0 40 EDAB CN(CC(=O)Nc1cccnc1)[C@@H]1CCCN(c2cccnn2)C1 70037060 KLFGOUNQUIKNEW-OAHLLOKOSA-N 326.404 1.411 0 40 EDAB CCO[C@@H](C)C(=O)NCCNC(=O)c1cccc(Br)c1 69322877 LWHRZWRBMUBNJL-JTQLQIEISA-N 343.221 1.720 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)C1 69329011 XYLXJPDIBRCGSL-INIZCTEOSA-N 339.395 1.998 0 40 EDAB O=C(Cc1ccc(Br)cc1)NCC1(O)CCOCC1 91438756 LALCZEWAWRDOEY-UHFFFAOYSA-N 328.206 1.649 0 40 EDAB CCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccc[nH]2)c1 81986003 FVFJSORPNIJONO-UHFFFAOYSA-N 339.392 1.724 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)NC1CC1 8388657 WLSCCPWWTXSZHA-HNNXBMFYSA-N 336.363 1.402 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)c3cccnc3OC)CC2)n1 69560124 LQSVPDRUKJVHLR-UHFFFAOYSA-N 343.387 1.241 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O 69537004 PRCHZPDBCIWYPG-LLVKDONJSA-N 347.337 1.144 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCCc2ccccc2OC)o1 69654554 AOPZZDQPXCOITQ-UHFFFAOYSA-N 339.369 1.596 0 40 EDAB O=C(CNc1ccccc1C(=O)NCCO)Nc1cc(F)ccc1F 69669646 ANEQNHHJGZPTCX-UHFFFAOYSA-N 349.337 1.738 0 40 EDAB CC(C)C[C@H](CNC(=O)C[C@@H]1CCCO1)NC(=O)C[C@@H]1CCCO1 69841679 ILPYHKFJMOKITQ-PMPSAXMXSA-N 340.464 1.772 0 40 EDAB COc1cccc(CN2C(=O)CC[C@@H](C(=O)O)[C@H]2c2cnn(C)c2)c1 69815435 VVFKNCXMEHEDPU-NVXWUHKLSA-N 343.383 1.993 0 40 EDAB Cc1cnn(CCNCCS(=O)(=O)c2ccc(Cl)cc2)c1 69976493 FHUMYQSNDHZTLP-UHFFFAOYSA-N 327.837 1.908 0 40 EDAB Cc1cc(OCC(=O)NCCc2c[nH]cn2)c2c(C)cc(=O)oc2c1 8764268 VLNABGRUWCCTDG-UHFFFAOYSA-N 341.367 1.871 0 40 EDAB biogenic Cc1ccccc1C(=O)NCC(=O)Nc1ccc(-n2cccn2)nc1 97095960 CXFBLVRVNCPOBQ-UHFFFAOYSA-N 335.367 1.944 0 40 EDAB CCN(C(=O)CN1CCN(Cc2nccn2C)CC1)C1=CCCCC1 72267722 YTPDYHBIGMEDDZ-UHFFFAOYSA-N 345.491 1.844 0 40 EDAB CCc1nnc(NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc23)s1 72282616 SOGXYSLPLNKOQG-QMMMGPOBSA-N 344.400 1.734 0 40 EDAB C[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)[C@@H](C)n1cccn1 72269705 DLNDDCFWDPAGNS-MJBXVCDLSA-N 333.388 1.591 0 40 EDAB CS(=O)(=O)NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 95951137 LOVDALOMUQNYME-UHFFFAOYSA-N 334.184 1.869 0 40 EDAB O=C(NCCN1CCNCC1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 95971544 NUOSMJDDESZXIE-NWDGAFQWSA-N 325.815 1.604 0 40 EDAB O=C1CN(Cc2ccccc2)C2(CCN(C(=O)c3ccoc3)CC2)N1 89834845 JOYXSHGEBLIIEC-UHFFFAOYSA-N 339.395 1.844 0 40 EDAB C[C@H]1CN(C)CCN1CC(=O)Nc1ccnn1Cc1ccccc1 89939130 PFNPVMFWWATNJI-HNNXBMFYSA-N 327.432 1.506 0 40 EDAB CN(C)CCC(=O)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 306144412 ZENCKSCFGBIWOA-HNNXBMFYSA-N 333.432 1.420 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@@H]12 409278285 CMCZQHNDMQTNPH-BASYENTBSA-N 327.336 1.371 0 40 EDAB COc1ccccc1[C@H](CO)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C 547981372 NOSQTOGUMLVCEX-OCCSQVGLSA-N 336.432 1.786 0 40 EDAB COc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@]12C[C@@H]1COC2(C)C 530152879 NHRZXUAOOSXLST-BMIGLBTASA-N 341.385 1.239 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)N2CCc3ccccc32)cc1 43229259 WGIKGRMRNVOLKK-UHFFFAOYSA-N 345.424 1.649 0 40 EDAB COCCNc1cc([C@@H]2CCN2C(=O)c2cnccn2)nc(C)n1 72387543 CWSANOWMHCUNTC-AWEZNQCLSA-N 328.376 1.221 0 40 EDAB CN(CCCS(C)(=O)=O)[C@@H]1CCN(c2ccccc2F)C1=O 79028040 PUJUWPFOHINIQY-CQSZACIVSA-N 328.409 1.298 0 40 EDAB O=C1Nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)[C@H](c2ccccc2)N1 38671253 QISXAENFCJQBAA-HNNXBMFYSA-N 348.362 1.809 0 40 EDAB CNC(=O)c1ccc([C@H]2CN(CC3(O)CCCCC3)CCO2)nc1 72388110 OHZYRXIKMBOYKW-MRXNPFEDSA-N 333.432 1.510 0 40 EDAB Cc1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)n(C)n1 72237856 VCQKCFFZAOXBEU-JKSUJKDBSA-N 328.372 1.266 0 40 EDAB C[C@H]1Cc2c(NC(=O)Cc3noc4ccccc34)nn(C)c2NC1=O 35597754 TUSDCBNKOZPFBN-VIFPVBQESA-N 339.355 1.873 0 40 EDAB CC(=O)N1CCO[C@@H](c2cc(NCc3nonc3C)nc(C)n2)C1 72387914 BRRJKOPEHINHOE-CQSZACIVSA-N 332.364 1.008 0 40 EDAB Cc1nn(C)cc1C(=O)OCCCn1nnc(-c2ccccc2)n1 73533147 SBTQGAUBTBMUJX-UHFFFAOYSA-N 326.360 1.629 0 40 EDAB CCN(C)S(=O)(=O)NCCc1ccc(F)c(Br)c1 72708429 UBVHEDHEVUERSN-UHFFFAOYSA-N 339.230 1.917 0 40 EDAB Cc1nc([C@H]2CN(C3CCOCC3)CCO2)cc(N2CCCC2)n1 72387736 QKCONLXTFDVWTJ-QGZVFWFLSA-N 332.448 1.938 0 40 EDAB CN(C)C(=O)CN1CCC2(CC1)Nc1ccccc1C1=NCCN12 72327108 NJWVUOUEYQYFIA-UHFFFAOYSA-N 327.432 1.055 0 40 EDAB CN([C@@H](C(=O)O)c1c(F)cccc1F)S(=O)(=O)c1cn(C)cn1 527301404 OBZUKRPEAZHZCL-GFCCVEGCSA-N 345.327 1.145 0 40 EDAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1cc(Br)ccc1F 77650111 KDLZNZONBKDDQS-VIFPVBQESA-N 345.168 1.822 0 40 EDAB COC(=O)[C@](NNc1ccccc1)(Nc1ncccn1)C(F)(F)F 40266517 XUWGKIVWUGINFR-CYBMUJFWSA-N 341.293 1.937 0 40 EDAB Cc1cc(CNC(=O)N2CCN(C(=O)c3ccccn3)CC2)on1 194680876 VZPOXXXIMGEBAL-UHFFFAOYSA-N 329.360 1.046 0 40 EDAB Cc1cc(C(=O)OC[C@@H]2CC(=O)N(CCc3ccccc3)C2)nn1C 80426638 XYWRSJYNIMKYIB-MRXNPFEDSA-N 341.411 1.977 0 40 EDAB Cc1c([C@H](NS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C(=O)O)cnn1C 575232954 TVVDCEQCVJNBKB-CFVMTHIKSA-N 349.412 1.330 0 40 EDAB C[C@H](NC(=O)N[C@@H]1C(=O)NCC[C@H]1C)c1cn(-c2ccccc2)nn1 193914148 SXEQDRGIVYRXCO-XUJVJEKNSA-N 342.403 1.152 0 40 EDAB COc1ccccc1CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CCCO1 223412444 CWUDFMHMQQDLOT-LSDHHAIUSA-N 332.400 1.481 0 40 EDAB C[C@@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 225419282 FZCGYHZWIBRKHK-DVZHBHJUSA-N 341.411 1.631 0 40 EDAB COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cccc(C)n3)C[C@H]21 96043318 WJKHRFOHWXJLGK-FGTMMUONSA-N 347.459 1.380 0 40 EDAB c1ccc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 96049148 VBLRBNMGPBJQHF-SFHVURJKSA-N 325.416 1.743 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96048538 VQIZJDQRJKYBQJ-JSGCOSHPSA-N 344.412 1.001 0 40 EDAB CNC(=O)CN1CCC2(CCCN(C(=O)c3ccsc3)C2)CC1 96071820 PZIUOHQGACBADT-UHFFFAOYSA-N 335.473 1.812 0 40 EDAB COCCN1CCC[C@@]2(CCN(Cc3[nH]nc(C)c3Cl)C2)C1=O 91966462 UVLBFBPUYXVQKV-INIZCTEOSA-N 340.855 1.832 0 40 EDAB O=C(Cc1ccccc1)N1CC[C@@H]2[C@@H]1CC(=O)N2CCN1CCCC1 96183936 RRUPOHXRUQVFJO-MSOLQXFVSA-N 341.455 1.527 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)no1 96042175 HADNNZNFIMOGAU-YESZJQIVSA-N 343.383 1.967 0 40 EDAB Cc1cccc(CN2CC[C@]3(CCCN([C@@H]4CCOC4)C3)C2=O)n1 96074106 FQVZPLZOAIDEHU-MJGOQNOKSA-N 329.444 1.993 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)no1 96040793 JLSMHNPNKFAUDM-BMFZPTHFSA-N 335.404 1.231 0 40 EDAB Cc1nc(CNC[C@@H]2Cn3nnc(-c4ccoc4)c3CO2)cs1 96069308 PBOKEYMSLUGJSU-CYBMUJFWSA-N 331.401 1.992 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCCC[C@@H]1CN1CCOCC1 96428688 SKVKCUHDKOJGQD-QGZVFWFLSA-N 338.473 1.703 0 40 EDAB O=S(=O)(c1cccnc1)N1CC(n2cc(-c3ccccc3)nn2)C1 96000463 VLMMTEIUTVUGRP-UHFFFAOYSA-N 341.396 1.586 0 40 EDAB Cc1cccc(CN2C(=O)COC3(CCN(C(N)=O)CC3)[C@H]2C)n1 96201618 XOBPOYWCPXFGEO-CYBMUJFWSA-N 332.404 1.051 0 40 EDAB O=C(c1cccnc1)N1CCOC[C@]2(CC[C@H](CN3CCCC3)O2)C1 96063364 NFNUESOEHBMQSB-MJGOQNOKSA-N 345.443 1.568 0 40 EDAB COc1ccc(NC(=O)COc2ccc(-c3nnn(C)n3)cc2)cn1 96231465 DZOMXBCYDRFEDA-UHFFFAOYSA-N 340.343 1.298 0 40 EDAB CCN1CCN(C(=O)N[C@H](C)[C@H]2CCCO2)C[C@@H]1c1nccn1C 583621974 VCOIEHHBWSTAAV-RBSFLKMASA-N 335.452 1.376 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)cc1 583651196 GWDPFYQYCIKEEG-GDBMZVCRSA-N 335.429 1.927 0 40 EDAB CCC(N)(CC)CNS(=O)(=O)c1cnc2c(c1)c(C)nn2C 97229351 KQIPFMALQMFIBO-UHFFFAOYSA-N 325.438 1.073 0 40 EDAB COCC(=O)N[C@H]1COCCC12CCN(Cc1ccsc1)CC2 96220718 RBSQOBNQXMVWLY-HNNXBMFYSA-N 338.473 1.882 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 96226345 PYMAZPOKMOOSMZ-LJQANCHMSA-N 340.427 1.932 0 40 EDAB COc1ccc(CN2C(=O)CO[C@@H]3CN(C[C@H]4CCOC4)C[C@H]32)cc1 96246438 UKUZLLQYVKUMSK-KBAYOESNSA-N 346.427 1.143 0 40 EDAB Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCS(=O)(=O)N(C)C)C1 96487379 KBCDQUAYDIULIS-GJZGRUSLSA-N 338.473 1.981 0 40 EDAB O=C(c1ccccn1)N1C[C@H]2CN(C(=O)c3cscn3)C[C@@H]2C1 96053953 ICCUAOMLNBXXCG-RYUDHWBXSA-N 328.397 1.382 0 40 EDAB O=C(CCn1cncn1)N1CCN(c2ncnc3ccsc23)CC1 96423820 GCDJWXCRLWPTBO-UHFFFAOYSA-N 343.416 1.022 0 40 EDAB COCC[C@H]1CCOC12CN(S(=O)(=O)c1ccccc1C)C2 248045496 WSABEERTQANWDI-AWEZNQCLSA-N 325.430 1.811 0 40 EDAB C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(F)c(F)c(F)c1F 585089895 DJRDMTPCWKOLSE-QMMMGPOBSA-N 347.312 1.435 0 40 EDAB CC[C@@H]1NC(=O)N(C[C@@H](O)COc2ccc(CCC(C)=O)cc2)C1=O 585138185 TVPLWTVTLUYFHW-ZBFHGGJFSA-N 348.399 1.278 0 40 EDAB Cc1cc(CNC(=O)c2c(Br)nc3n2CCC3)no1 585120848 OUFLFUHHVNBXHS-UHFFFAOYSA-N 325.166 1.818 0 40 EDAB Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)CCN)C2)ncn1 257328285 XEZXKBYKJOYEDF-CYBMUJFWSA-N 329.404 1.488 0 40 EDAB CC(=O)NCc1cnc(CC2CCN(Cc3ccccn3)CC2)cn1 257266889 MEZVCAPQPGNYTD-UHFFFAOYSA-N 339.443 1.962 0 40 EDAB CN1C(=O)CCCc2cc(S(=O)(=O)Nc3ccn(C)n3)ccc21 252482610 DKLKGDZQCFWUJL-UHFFFAOYSA-N 334.401 1.520 0 40 EDAB CNc1cc(C)nc([C@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)c1 257290535 QDISTQUFOXHAHQ-QGZVFWFLSA-N 343.431 1.927 0 40 EDAB COc1cccc(CC(=O)NCc2cc(-c3cnccn3)nn2C)c1 253473427 UWAHSVAGLGKIAI-UHFFFAOYSA-N 337.383 1.745 0 40 EDAB Cc1ccn(CCC(=O)N2CCOC[C@@H]2CCc2nccnc2C)n1 257274433 NLBCHNJOMNRIBQ-INIZCTEOSA-N 343.431 1.540 0 40 EDAB O=C(c1cscn1)N1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 257318340 VNMOXLFOVQJHJD-HUUCEWRRSA-N 343.408 1.395 0 40 EDAB CN(c1cccnn1)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 253426041 FNBWPRVRGQEFGS-UHFFFAOYSA-N 336.348 1.326 0 40 EDAB COCC(=O)N1CCC[C@H](c2cncc(-c3c(C)nn(C)c3C)n2)C1 257267584 MHYSTHBREZILIB-AWEZNQCLSA-N 343.431 1.846 0 40 EDAB Cc1cc(-c2cnc([C@H]3CCCN3S(=O)(=O)N(C)C)cn2)[nH]n1 257232339 GKMBOOHLBMXMCL-CQSZACIVSA-N 336.421 1.118 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1cccc(OC)c1 257218314 DCQFKYCNJLZYSS-AEFFLSMTSA-N 347.459 1.673 0 40 EDAB O=C(Cc1ccc(F)cc1F)NCc1nc(-c2cccnc2O)no1 253537721 QHKJWTDZPPTYEM-UHFFFAOYSA-N 346.293 1.974 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 257262019 LJRNTPCLDCZSOQ-AWEZNQCLSA-N 347.346 1.609 0 40 EDAB CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1cc(C(C)(C)C)no1 267361807 NYFGYIBKNJMXPO-UHFFFAOYSA-N 342.377 1.673 0 40 EDAB CCc1ncnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)c1F 270951817 OTNMUQXHJBDZEG-UHFFFAOYSA-N 330.363 1.846 0 40 EDAB Cc1ccc(N2CCCC2=O)c(C(=O)N2CC3(CN(C)C(=O)O3)C2)c1 1615538136 XXWJOHYYXGXMPD-UHFFFAOYSA-N 343.383 1.398 0 40 EDAB COc1cc(S(=O)(=O)Nc2nc(C)cc(C3CC3)n2)sn1 1616038184 IUNUBRPLIUFVDR-UHFFFAOYSA-N 326.403 1.928 0 40 EDAB O=Cc1ccccc1S(=O)(=O)N1CCCC[C@@H]1CCn1ccnn1 1616034108 GPBPWNOHXIBWOQ-OAHLLOKOSA-N 348.428 1.724 0 40 EDAB Cc1cc(NC(=O)NCCn2ncnn2)cnc1N1CCCC[C@H]1C 390833196 DKUQBUFSOJNBSK-CYBMUJFWSA-N 344.423 1.577 0 40 EDAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCn1nc(C2CC2)ccc1=O 575607012 HVVDCNWERKLGDL-LBPRGKRZSA-N 345.374 1.844 0 40 EDAB CC(C)Cn1[nH]c(CC(=O)N2CCCC[C@@H]2c2ccnn2C)cc1=O 821487012 GIJGFTQIFFAHBT-MRXNPFEDSA-N 345.447 1.862 0 40 EDAB Cc1cc(C2(NC(=O)N=c3cc[nH]cc3N(C)C)CCOCC2)on1 585123636 RNIAIPFPCFXDGN-UHFFFAOYSA-N 345.403 1.693 0 40 EDAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@H]2C1 585106072 IXPURHDGDRMORQ-XHSDSOJGSA-N 343.475 1.540 0 40 EDAB C[C@@H](C(=O)N[C@H]1CCc2nccn2C1)c1ccc2c(c1)OCCO2 72232582 JZNAEQNLLOUNCU-OCCSQVGLSA-N 327.384 1.889 0 40 EDAB Cn1nc2c(cc1=O)CN(C(=O)c1cccc(-n3cccc3)c1)CC2 73142825 SQDDMCYUFHTGFY-UHFFFAOYSA-N 334.379 1.770 0 40 EDAB COc1ncccc1NC(=O)N1CCN(Cc2ccncc2)CC1 48252918 WUSACLROTIPSIF-UHFFFAOYSA-N 327.388 1.835 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCN(CC4CC4)CC3)cnc12 55669444 RMZPIHSRSLIRNQ-UHFFFAOYSA-N 340.427 1.259 0 40 EDAB Cc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(=O)[nH]1 79661132 ZBZPWXTYKNHANS-UHFFFAOYSA-N 339.395 1.718 0 40 EDAB CNS(=O)(=O)[C@H]1CCCN(c2nc3ccccc3cc2CO)C1 78258261 HNKQAIUFTWBGFO-AWEZNQCLSA-N 335.429 1.245 0 40 EDAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NC[C@@H]1CCCO1 38756207 JOUQGUAMUCFJJM-MNOVXSKESA-N 335.429 1.064 0 40 EDAB CCn1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C(C)C)n1 78895916 HHTGQOBTENVJLC-GOEBONIOSA-N 334.464 1.819 0 40 EDAB CN1CCN(CCOc2ccc(NC(=O)N(C)C3CC3)cc2)CC1 78988693 JINATEKDVWRZPS-UHFFFAOYSA-N 332.448 1.939 0 40 EDAB O=C(NCC[C@H](O)C1CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 77108505 STDMFTSQAISZAC-LBPRGKRZSA-N 346.305 1.801 0 40 EDAB CCOC(=O)CCS(=O)(=O)N1CCCC[C@H]1c1cccn1C 80770554 MRMWHTWDUKIOQO-AWEZNQCLSA-N 328.434 1.835 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 96119145 MSARYUILXBUJAD-SNVBAGLBSA-N 342.446 1.784 0 40 EDAB CS(=O)(=O)C1CCN(S(=O)(=O)CCc2ccccc2)CC1 96366191 NZHQEMZPAPYQNV-UHFFFAOYSA-N 331.459 1.068 0 40 EDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(CC3CC3)C(C)C)ccc21 515818166 YRCPFBUIOJQFBS-UHFFFAOYSA-N 329.400 1.970 0 40 EDAB Cc1ccc(CN(C)C(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)o1 72284218 SDWVMIFKDIPBAC-GXTWGEPZSA-N 338.404 1.917 0 40 EDAB Cn1c(SCC(=O)NCc2ccco2)nc2c(c1=O)SCC2 5056134 UTCATRKPDMQNQO-UHFFFAOYSA-N 337.426 1.430 0 40 EDAB COc1ccc(-c2ocnc2C(=O)N2CCC[C@H](C(N)=O)C2)cc1 12328880 KLAVWOSVTJIZEX-LBPRGKRZSA-N 329.356 1.688 0 40 EDAB COc1ccc(C(=O)NCCCNC(=O)c2ccncc2)cc1OC 13566103 PQRAQBGVOXMFKV-UHFFFAOYSA-N 343.383 1.649 0 40 EDAB CCCCc1nc2n(n1)[C@H](C(=O)NCCc1ccccc1)CC(=O)N2 17071402 HHCGFEDCBXTNKE-AWEZNQCLSA-N 341.415 1.863 0 40 EDAB CNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2nonc2C)nc1C 19711181 ZSTSFMKSZROSCB-ZDUSSCGKSA-N 329.360 1.418 0 40 EDAB CCNS(=O)(=O)c1ccc(CNC(=O)C(F)(F)Cl)cc1 153106823 ICFYFQZUYILVDV-UHFFFAOYSA-N 326.752 1.433 0 40 EDAB O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCC[C@H](n2cncn2)C1 153353178 ZDXFVLHAXPAFRK-CABCVRRESA-N 341.419 1.299 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)N1CCN(Cc2cccnc2)CC1 585149848 UUABGSVBPNBVPG-JKSUJKDBSA-N 344.459 1.134 0 40 EDAB O=C(CSC1CCCC1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 390830552 LSXJQVCKGGGUKR-GFCCVEGCSA-N 346.460 1.495 0 40 EDAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)n1 390828651 SNPMJFNIMZUENS-CQSZACIVSA-N 330.388 1.921 0 40 EDAB CN(C)C(=O)N1CCC(CNS(=O)(=O)CCC(F)(F)F)CC1 390830171 JFOAZOVTWUWJQI-UHFFFAOYSA-N 345.387 1.252 0 40 EDAB COC(=O)[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 1772715316 UIWNBRAMXYYDLD-JTQLQIEISA-N 332.397 1.920 0 40 EDAB Cc1nc(N2C[C@H]3CN(c4ncc(F)cn4)C[C@@H]3C2)nc(O)c1F 1888855783 JLOFFCYWKLRYCJ-NXEZZACHSA-N 334.330 1.131 0 40 EDAB O=C([C@H]1CCCN(c2cc(C3CCC3)ncn2)C1)N1CCOCC1 1889099045 DSOHBDOHGKILMT-HNNXBMFYSA-N 330.432 1.819 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)NCCc3cccc(F)c3)cnc21 21467734 GQQQIFXFMDGMSA-UHFFFAOYSA-N 343.362 1.018 0 40 EDAB O=C(CCN1CCOCC1)N1CCC(O)(COc2ccccc2)CC1 2037909253 JAXPTAOGQIXHAU-UHFFFAOYSA-N 348.443 1.141 0 40 EDAB Cc1nnc2c(N3CCC[C@H](N(C)C(=O)C(C)(C)C)C3)nccn12 2087131238 MCUAAHXBJDNWAS-ZDUSSCGKSA-N 330.436 1.906 0 40 EDAB COCCN1CCC[C@@]12CCCN(C(=O)c1cc(OC)no1)CC2 1565544249 GWDKSPLWNAACNR-QGZVFWFLSA-N 337.420 1.790 0 40 EDAB CS(=O)(=O)NN1C(=O)c2ccccc2N[C@H]1c1cccc(O)c1 3641449 PGLJDRQMKJTKDP-CQSZACIVSA-N 333.369 1.423 0 40 EDAB CC(=O)N1CCC[C@H](CN2CCC(Cn3nc(C)ccc3=O)CC2)C1 585502753 XOJPKGQKMVDJCS-GOSISDBHSA-N 346.475 1.522 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCC(Cn2cnccc2=O)CC1 585636869 ARKMTMUFYPHNPB-UHFFFAOYSA-N 349.394 1.739 0 40 EDAB NC(=O)c1cc(CC2CCN(C(=O)CCc3ccccc3)CC2)n[nH]1 225565400 XYTGOLMDVSBERF-UHFFFAOYSA-N 340.427 1.923 0 40 EDAB O=c1cc(Cc2n[nH]c(=S)n2-c2ccc(Cl)cc2)[nH]c(=O)[nH]1 5903936 YWZLADFDBTWENE-UHFFFAOYSA-N 335.776 1.551 0 40 EDAB CN1C(=O)c2cccc3c(S(=O)(=O)N4CCOCC4)ccc1c23 5659925 GGSOILQTKPAITG-UHFFFAOYSA-N 332.381 1.451 0 40 EDAB Cc1cc(=O)n2nc(N3CCN(Cc4ccccc4)CC3)sc2n1 40487916 FTUMULKZUDMAHW-UHFFFAOYSA-N 341.440 1.782 0 40 EDAB COc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)cc1 40488222 DPUOXWOWBKSOQU-HNNXBMFYSA-N 326.418 1.409 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N(C)Cc2ccc(F)cc2F)C[C@@H](C)O1 40493331 OUJMZXVRAGPOKV-GHMZBOCLSA-N 334.388 1.751 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(c2ccc(Br)cn2)CC1 40514233 GZJFLLLQJHLVII-GFCCVEGCSA-N 340.221 1.672 0 40 EDAB CN(C(=O)CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 40529156 VRNDZXPMVNKUIA-GFCCVEGCSA-N 331.821 1.754 0 40 EDAB CC(=O)N1CCCN([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 32843199 FTWDMTSPSPDAEG-UONOGXRCSA-N 335.423 1.946 0 40 EDAB CN(C)Cc1ccccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 103129066 YEXVVDRBGHQBEE-GASCZTMLSA-N 341.411 1.638 0 40 EDAB CN1CCN(c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1 53214435 HTTQQCWRAXIQOS-UHFFFAOYSA-N 340.427 1.459 0 40 EDAB C[C@@H]1CN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 611381 UMABMXLJKNQLBX-NXEZZACHSA-N 329.447 1.140 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 78789324 WREZBAPMKIMHCH-NEPJUHHUSA-N 326.828 1.053 0 40 EDAB CCC(C)(C)NC(=O)c1ccc(NCC(=O)N2CCNC2=O)cc1 55879229 BKUDNENFRCQIAA-UHFFFAOYSA-N 332.404 1.569 0 40 EDAB COc1cccc(CCNC(=O)N2CCC(C(N)=O)CC2)c1OC 56423800 YDGKYGSYLUVCJI-UHFFFAOYSA-N 335.404 1.153 0 40 EDAB COCC(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 56494197 WHLYQHWYEALKIW-UHFFFAOYSA-N 346.349 1.918 0 40 EDAB O=C(N[C@@H]1CCc2[nH]ncc2C1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 107591323 PDICHPPMZXTMIF-KJGCVMFHSA-N 343.475 1.783 0 40 EDAB NS(=O)(=O)[C@@H]1CCCN(Cc2nnc(-c3cccs3)o2)C1 95459851 LNRODCFMLKKSAX-SECBINFHSA-N 328.419 1.051 0 40 EDAB Cc1cc(OCC(=O)NCCC(=O)O)c2c(C)c(C)c(=O)oc2c1 2094191 BFTRNEQEOULUGT-UHFFFAOYSA-N 333.340 1.688 0 40 EDAB biogenic Cc1ccc(CNC(=O)c2nnc(CN3CCOCC3)s2)cc1 27576432 RZWGRIXOZBKIRK-UHFFFAOYSA-N 332.429 1.609 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)o1 58185497 CEVDDFRFCZZCGL-INIZCTEOSA-N 347.396 1.733 0 40 EDAB O=C([C@@H]1C[C@]12CCN(S(=O)(=O)c1cccs1)C2)N1CCCC1 107789592 QIDXUBUPHLXNSU-WFASDCNBSA-N 340.470 1.771 0 40 EDAB CN1CCC[C@@H](NC(=O)[C@@H]2[C@H]3C(=O)Nc4ccccc4C(=O)[C@@]32C)C1 100217280 GMUNRPOIMCTCMF-WFTYINRHSA-N 341.411 1.284 0 40 EDAB O=C1NC(=O)/C(=C/c2ccc(O)c(I)c2)N1 100253388 RZFDYLLHWYUKRN-DAXSKMNVSA-N 330.081 1.177 0 40 EDAB O=C(Cn1cc(NC(=O)c2ccccc2O)cn1)NC1CCCC1 58201258 CCPRVKDYEZVNFQ-UHFFFAOYSA-N 328.372 1.900 0 40 EDAB COc1ccc(C)cc1C(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O 58293041 SCIRUUSEVXGRLJ-UHFFFAOYSA-N 332.356 1.633 0 40 EDAB CCOc1ccc(C(=O)NCC(=O)N(CC)C[C@H]2CCOC2)cc1 58216318 VUKBVMNGXFISLA-CQSZACIVSA-N 334.416 1.700 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCCOc1cccc(Cl)c1 58355764 CJTDXBJFNJQZIJ-NSHDSACASA-N 331.821 1.660 0 40 EDAB CNC(=O)CN1CCC(NC(=O)N2CCc3sccc3C2)CC1 28422303 NDGMKCMDVLFXML-UHFFFAOYSA-N 336.461 1.026 0 40 EDAB CC1=C(C(N)=O)[C@H](c2ccc(Cl)c(Cl)c2)n2nnnc2N1 28629094 ALBWPNRRLKNTGG-JTQLQIEISA-N 325.159 1.754 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)Nc1ccc2nccnc2c1 47178634 AJRGRDPYBOTDGF-UHFFFAOYSA-N 346.350 1.764 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)NCCCn2ccnc2)C1=O 48288380 HTGZBLQKXBJEIP-CQSZACIVSA-N 342.399 1.594 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1C 3480203 RKHHSCHGOYVQGD-NXEZZACHSA-N 336.388 1.627 0 40 EDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O 3459658 LAHRVDSVLHGYFM-CYBMUJFWSA-N 329.278 1.132 0 40 EDAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NC(N)=O 3409504 HLRPJXRFLVCEBV-VIFPVBQESA-N 331.401 1.820 0 40 EDAB O=C(CS(=O)(=O)Cc1csc(-c2ccccc2)n1)N1CCC1 62639193 WQXGYMXSAYDAGB-UHFFFAOYSA-N 336.438 1.957 0 40 EDAB COCc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)o1 12922812 WJAZADYSFXAMKX-UHFFFAOYSA-N 327.340 1.935 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N(C)Cc1ccc(OC(F)(F)F)cc1 12985448 CVTXUYSBCVDOFB-VIFPVBQESA-N 333.310 1.861 0 40 EDAB C[C@@H]1CN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1O 95454214 YSUMLQYGTFATFP-RHSMWYFYSA-N 346.427 1.874 0 40 EDAB CC(C)OC(=O)[C@@H](C)CNS(=O)(=O)c1ccc2c(c1)OCCO2 72307403 CSYHSZBCRKNXIP-NSHDSACASA-N 343.401 1.324 0 40 EDAB CC(C)Cc1nc2oc3c(=O)n(CC(N)=O)cnc3c2c2c1CCC2 13725582 VEHNLMOOICALPS-UHFFFAOYSA-N 340.383 1.710 0 40 EDAB COc1ccc(/C=C/C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC 4392122 OQANTSMSTMYFQA-IYNGYCSASA-N 339.413 1.363 0 40 EDAB COc1ccc(NC(=O)C(=O)NCCc2ccc(N(C)C)cc2)cn1 65623413 JDHSEEMGWPRSCR-UHFFFAOYSA-N 342.399 1.454 0 40 EDAB O=C(CCCNc1nc(Cl)nc2[nH]cnc12)NCc1cccnc1 9423452 JGUFMZRGVZHBBO-UHFFFAOYSA-N 345.794 1.910 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](c2ccccc2)CC1 66762392 XCYOZRQZEIUVSB-MRXNPFEDSA-N 331.416 1.035 0 40 EDAB CCc1noc([C@H](C)N2CCC(N(C)S(=O)(=O)CC)CC2)n1 66880139 BVWGUBZUFHPYDI-NSHDSACASA-N 330.454 1.439 0 40 EDAB O=C(CN1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2)CC1)NC1CC1 67132419 LBQLZKJZDFRMFF-IRXDYDNUSA-N 345.418 1.352 0 40 EDAB C[C@@H]1CN(Cc2nnc3n(C)c(=O)c4ccccc4n23)C[C@@H](C)O1 15375714 ADTOYZKREBZWKS-VXGBXAGGSA-N 327.388 1.190 0 40 EDAB CC[C@H](C)[C@@](C)(O)CNC(=O)c1cnc2sc(C)c(C)n2c1=O 96492919 ZXNZWKITRLYNAK-FVMDXXJSSA-N 337.445 1.900 0 40 EDAB Cn1cnc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)c1Cl 84331762 FFRBJNUTZCWQQH-UHFFFAOYSA-N 329.691 1.616 0 40 EDAB CS(=O)(=O)NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 67789889 HIWQXVFKDOGCRQ-QGZVFWFLSA-N 344.436 1.710 0 40 EDAB Cn1cc(S(=O)(=O)NCCc2nc3c(s2)CCCC3)cn1 67950218 NWEGMCSHZYZMLL-UHFFFAOYSA-N 326.447 1.276 0 40 EDAB Cc1cn2nc(N3CCN(Cc4nc(C(C)C)no4)CC3)sc2n1 71840994 ZJVQQXIAFSWRKL-UHFFFAOYSA-N 347.448 1.928 0 40 EDAB CC[C@@H](Sc1ccccc1)C(=O)N[C@H](C)C(=O)N1CCOCC1 71894110 SFBOYVWJPXUARC-UKRRQHHQSA-N 336.457 1.921 0 40 EDAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCN([C@@H](C)C(=O)NC(C)C)CC1 97372643 KLDVUPJRKKEDOO-WFASDCNBSA-N 349.479 1.187 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)[C@H]1CCCN1C(=O)C1CCCC1 69384727 MEGFVVAXINPRSU-OAHLLOKOSA-N 337.464 1.541 0 40 EDAB CC(C)N1C(=O)C(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 8312703 BMLVIOFFMJZHGP-UHFFFAOYSA-N 329.356 1.165 0 40 EDAB CCc1noc(CN(C)S(=O)(=O)N2CCC[C@@H]2c2ccco2)n1 83830505 JQOPTFLIVDITIF-LLVKDONJSA-N 340.405 1.739 0 40 EDAB CCn1ccnc1CN1CCN(C[C@@H](O)c2cccc(F)c2)CC1 69441363 SSFUNJWBAZUJRP-QGZVFWFLSA-N 332.423 1.893 0 40 EDAB Cc1noc([C@H](C)N2CCN([C@H](C)C(=O)NCC(F)(F)F)CC2)n1 69437160 CAOZONBYJAFSCH-ZJUUUORDSA-N 349.357 1.124 0 40 EDAB CC(=O)N(CCC(=O)NCCCn1cccn1)Cc1ccccc1 69414708 RJEOZDINKWILEE-UHFFFAOYSA-N 328.416 1.828 0 40 EDAB Cc1cc(NC(=O)C(=O)N(C)Cc2nnc3n2CCC3)ccc1F 69669193 LYAFUMDUZBQWRO-UHFFFAOYSA-N 331.351 1.269 0 40 EDAB c1cncc(-c2noc(CN3CCCC[C@H]3Cn3cncn3)n2)c1 69615247 NUQSSAXSWDZPSW-AWEZNQCLSA-N 325.376 1.778 0 40 EDAB Cc1noc([C@H](C)NC(=O)NCCS(=O)(=O)c2ccccc2)n1 69778153 JEAMDJUGCWVWQT-JTQLQIEISA-N 338.389 1.212 0 40 EDAB COc1ccc(CCC(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cc1OC 69743923 WOCAVNTUXROEQQ-CYBMUJFWSA-N 346.383 1.043 0 40 EDAB C[C@@H](C(=O)N1CCc2sccc2C1)N1CCc2cncnc2C1 69742689 PTHDEPLEPYDVSZ-LBPRGKRZSA-N 328.441 1.870 0 40 EDAB O=S(=O)(C[C@@H]1CCOC1)NCCc1coc(-c2ccccc2)n1 69700587 QUYMEPWNEVMQEV-CYBMUJFWSA-N 336.413 1.840 0 40 EDAB CCn1nc(C)cc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69739195 VPSHKKXOEMDJNR-GOSISDBHSA-N 342.443 1.703 0 40 EDAB C[C@@H](NC(=O)Nc1cccc(Cn2cncn2)c1)C(=O)NC(C)(C)C 69894159 URJOUMRBQJOULL-GFCCVEGCSA-N 344.419 1.751 0 40 EDAB CN1C[C@@H](NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1=O 69894668 WBFRNMLONZQFNB-VIFPVBQESA-N 349.284 1.321 0 40 EDAB CN(C)CC(C)(C)CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 69846920 VULTYQCWDDBGQC-AWEZNQCLSA-N 341.521 1.782 0 40 EDAB Cc1ccc(S(=O)(=O)NC(=O)/C=C/c2c(C)nn(C)c2C)s1 69845428 QJLRHVCUKCCMKA-VOTSOKGWSA-N 339.442 1.925 0 40 EDAB COc1coc(CN(C2CC2)S(=O)(=O)c2cccnc2)cc1=O 83984455 IQBXVCLKZLLCJS-UHFFFAOYSA-N 336.369 1.397 0 40 EDAB COc1ccsc1C(=O)NCCNC(=O)c1n[nH]c2ccccc12 95381561 ASBUNLDBJVBRHO-UHFFFAOYSA-N 344.396 1.793 0 40 EDAB Cc1cnn(C[C@H]2CN([C@@H](C)C(=O)Nc3nccs3)CCO2)c1 71186515 SWQJJZQSIVARAW-QWHCGFSZSA-N 335.433 1.376 0 40 EDAB Cc1cc(S(=O)(=O)N2CCNC[C@@H]2C)sc1Br 94541391 WCPWIXZSYOGASR-QMMMGPOBSA-N 339.280 1.801 0 40 EDAB CN(C)C(=O)C1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CCCC1 72283206 KKDVOMTZXKYUPE-OAHLLOKOSA-N 336.480 1.419 0 40 EDAB CCC[C@](C)(CNC(=O)C[C@@H]1CCCO1)NC(=O)C[C@@H]1CCCO1 72293534 VUVASKMLOZZXHO-RLFYNMQTSA-N 340.464 1.916 0 40 EDAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cnc2sccn2c1=O 72273031 JHUATTXEPZZRLK-CHWSQXEVSA-N 327.365 1.144 0 40 EDAB COc1cccc(N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c1 95949435 FWKGCQMCNJMKBV-UHFFFAOYSA-N 327.384 1.356 0 40 EDAB O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)N1CCC[C@@H]1CO 95987624 WPKHODSPSHFHCP-DFBGVHRSSA-N 326.343 1.961 0 40 EDAB CC(=O)NC1(C(=O)NCc2c(C)cc(C)[nH]c2=O)CCC(C)CC1 75123858 DCPWMXHHUZUMCL-UHFFFAOYSA-N 333.432 1.693 0 40 EDAB Cc1cnn(CC(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)c1 75148306 WEFCZKMLLKWBTA-UHFFFAOYSA-N 348.428 1.519 0 40 EDAB CC[C@@H]1CN(Cc2csc(NC(C)=O)n2)CCN1C[C@@H](C)O 75129390 SQBULSBPGJLDCP-BXUZGUMPSA-N 326.466 1.379 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)C1CCN(C(N)=O)CC1 89969170 VOASWAYPJKTTFW-CQSZACIVSA-N 347.415 1.466 0 40 EDAB CC1CCN(Cc2ccccc2CNC(=O)[C@H]2CNC(=O)N2)CC1 89929980 OZYCBVJDMYJARY-MRXNPFEDSA-N 330.432 1.216 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)CCO2)n1 76045252 VTRYUAWDDHTROM-HZPDHXFCSA-N 342.399 1.634 0 40 EDAB Cn1ncc(N[C@H](Cn2cncn2)c2ccccc2)c(Cl)c1=O 76063462 VXYXJCMMNLJSOP-CYBMUJFWSA-N 330.779 1.879 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN(Cc3nc4ccccc4n3C)C2)no1 76047279 LUJIMJRPIAUQON-AWEZNQCLSA-N 340.431 1.971 0 40 EDAB CO[C@@H]1CCCN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 76551953 UFLZTCDMMJPZRL-MRXNPFEDSA-N 347.463 1.154 0 40 EDAB C[C@H](C(=O)NCCCN1CCOCC1)n1cc(Br)cn1 28224588 IFCJFTOYBRBLHS-LLVKDONJSA-N 345.241 1.045 0 40 EDAB COc1ccc(Br)cc1[C@H]1CC2(C)NC(=O)C1C(=O)N2 61722141 DEMHVRFMNBQOIJ-FDMSEYEVSA-N 339.189 1.523 0 40 EDAB COc1ccc(/C=C2/SC(=O)N(CN3CCN(C)CC3)C2=O)cc1 408718086 ILRVPFSQVQVJQR-RVDMUPIBSA-N 347.440 1.936 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)C2(CN)CN)cc1 218450495 UEQTWIRZQVPUCK-DLBZAZTESA-N 348.443 1.978 0 40 EDAB O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)c1cn2ccccc2n1 532245177 HYOBNIIMWPYTIC-ZDUSSCGKSA-N 326.400 1.998 0 40 EDAB O=C(Nc1onc2c1CCCC2)C1CN(C(=O)c2cnccn2)C1 70841088 NPROYHWNOHBXFN-UHFFFAOYSA-N 327.344 1.054 0 40 EDAB COCCN1CCC[C@H](c2nc(C)cc(CCC(=O)N(C)C)n2)C1 72366992 LPWABOUURLUOSK-HNNXBMFYSA-N 334.464 1.632 0 40 EDAB C[C@@H](C(=O)NCCc1cccs1)N1CCO[C@H](CN(C)C)C1 71878861 CZYJHHVZCMQWAZ-UONOGXRCSA-N 325.478 1.058 0 40 EDAB CC[C@H](CN1CCOCC1)NC(=O)C1(c2ccccc2)CCOCC1 36741469 NJUOCHAFXMSVFA-GOSISDBHSA-N 346.471 1.962 0 40 EDAB Cc1c(F)cc(S(=O)(=O)NCCc2cnn(C)c2)cc1C(=O)O 568006981 YMVYSMJSLNNMTG-UHFFFAOYSA-N 341.364 1.087 0 40 EDAB CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1cnn(C)c1 79474317 ATRMJDLXZNICLT-CQSZACIVSA-N 349.416 1.912 0 40 EDAB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc(Cl)c1 71980057 QCGCOZQDSJUMLK-ZDUSSCGKSA-N 338.791 1.688 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)/C=C/c2ccnn2C)cc1 129647445 QCEOXVIAYPJNCO-VIIAAUOXSA-N 347.440 1.720 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)NCC[C@@H](O)c1ccccc1 72265256 OVMJLVJMKHFKMN-QGZVFWFLSA-N 337.383 1.445 0 40 EDAB CN(Cc1cc2n(n1)CCNC2)C[C@@H]1CCN(c2ccccc2)C1 72131987 ZCOVFPUXTRAOBH-INIZCTEOSA-N 325.460 1.945 0 40 EDAB O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 44872582 SNWVUAZHVGYOMC-SNVBAGLBSA-N 333.862 1.983 0 40 EDAB COc1ncccc1NC(=O)C(=O)NC[C@H](c1ccco1)N(C)C 44902794 UJFYXPQCEUHRJS-GFCCVEGCSA-N 332.360 1.041 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[C@H](Oc2cccnn2)C1 225412593 CJJYMCAXIGVPQP-DCGLDWPTSA-N 341.367 1.685 0 40 EDAB Cc1cc(NC(=O)c2nc(-c3c(C)ncc4c3CCNC4)no2)no1 19720466 XFYLIPVUKDITPA-UHFFFAOYSA-N 340.343 1.634 0 40 EDAB C[C@](O)(CNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccsc1 80891638 NICRCXYYYMEPDR-LBPRGKRZSA-N 333.335 1.987 0 40 EDAB Cc1cc(N2CCC(NC(=O)[C@@H]3COc4ccccc4O3)CC2)n[nH]1 225750371 QPVGUYLKQJPTHZ-INIZCTEOSA-N 342.399 1.643 0 40 EDAB CNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)N[C@@H](CO)CC(C)C 225400749 XGTNPKGGUZNOFV-OWCLPIDISA-N 341.496 1.135 0 40 EDAB biogenic,in-vitro COc1ccccc1CNC(=O)CN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 583614674 CILNBCIKXOEOOZ-BBWFWOEESA-N 348.443 1.173 0 40 EDAB O=C(CCN1CCC[C@@](O)(c2cnn[nH]2)C1)N1CCc2ccccc21 583617978 PPLUNEJSFBUUDO-SFHVURJKSA-N 341.415 1.068 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Cc2cnccn2)cc1 583621017 KAUBJEVSZFSERS-HKUYNNGSSA-N 341.411 1.926 0 40 EDAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCC1CCOCC1 95473701 NYWOSMGBWRFTDD-UHFFFAOYSA-N 333.363 1.387 0 40 EDAB O=C(c1ncccn1)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 96110436 HEFACKCLGNRGAX-KDOFPFPSSA-N 340.383 1.572 0 40 EDAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1ccnc(C3CC3)c1)C2 578368248 IIDGBTMIFXZWLC-OAHLLOKOSA-N 340.427 1.744 0 40 EDAB O=C(O)CN(C(=O)Cc1ccc2c(c1)CCCO2)C1CCOCC1 578323847 YTDINBFGSLVUGT-UHFFFAOYSA-N 333.384 1.646 0 40 EDAB O=C(O)C1CCN(c2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 578510922 CPXHQOLYGVXWBG-UHFFFAOYSA-N 339.417 1.167 0 40 EDAB CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)Cc1ccoc1 97097038 XEKYUYHPJPRPHP-AWEZNQCLSA-N 334.397 1.975 0 40 EDAB CCCS(=O)(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2ccco2)C1 96075022 SBDOBIGJFWVDHN-HIFRSBDPSA-N 326.418 1.348 0 40 EDAB Cc1ccc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1C 96306486 GQDVKQVSSKQWJG-UHFFFAOYSA-N 339.399 1.972 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC=CC1)C2 96039564 RDAGUBQWWHPTKJ-MJGOQNOKSA-N 336.476 1.929 0 40 EDAB CCOC[C@@]12CCCO[C@@H]1CCN(S(=O)(=O)c1cccnc1)C2 96039426 NDKIGEMIYPQSPT-CVEARBPZSA-N 340.445 1.678 0 40 EDAB CC(=O)[C@@](Br)(I)S(C)(=O)=O 96518532 FXZNERCHOWBNMG-SCSAIBSYSA-N 340.964 1.104 0 40 EDAB O=C(c1ccncc1)N1CC[C@H]2[C@@H](CNc3ncccn3)OC[C@H]2C1 96187349 AFOSGPUGCITSCP-BZUAXINKSA-N 339.399 1.461 0 40 EDAB O=C1NC[C@H](COc2cccnc2)[C@]12CCN(Cc1ccoc1)C2 96218238 WARBJAWHQSGFHS-CRAIPNDOSA-N 327.384 1.692 0 40 EDAB Cc1cnc(C(=O)N2CCc3ncnc(NC4CCC4)c3CC2)cn1 96255770 XIWMIDXQCZSEKP-UHFFFAOYSA-N 338.415 1.780 0 40 EDAB COc1ccc(S(=O)(=O)N2CC(Nc3ncc(F)cn3)C2)cc1 242339129 ZFDCTEFMUUHGQW-UHFFFAOYSA-N 338.364 1.109 0 40 EDAB Cc1ccc(N2CC3(C[C@H](OCC(=O)N4CCCC4)CCO3)C2)nn1 247879968 BSZZJORVBIGGQO-OAHLLOKOSA-N 346.431 1.162 0 40 EDAB COc1ncccc1CN1CCn2cc(C(=O)N(C)C)nc2[C@H]1C 247957862 DHDIJRFKUQKORB-GFCCVEGCSA-N 329.404 1.565 0 40 EDAB COC(=O)C1(CNC(=O)c2cc(Br)cnc2S)CC1 584908770 MSDWLIJMBALFOD-UHFFFAOYSA-N 345.218 1.816 0 40 EDAB CNS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1OC(F)(F)F 585087854 XNSOQNMSHKXANO-UHFFFAOYSA-N 346.714 1.726 0 40 EDAB CC(C)COC(=O)N1CCC(N[C@H]2CCC(=O)NC2(C)C)CC1 585080744 JWAVMGOUAVKTLO-AWEZNQCLSA-N 325.453 1.890 0 40 EDAB CN1CCO[C@H](c2nccc(CNC(=O)Cc3cccs3)n2)C1 257268577 MMHGAUFFIUCAQB-AWEZNQCLSA-N 332.429 1.400 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)CCO2)n1 257240283 HSVZWAWFKSQTGL-LBPRGKRZSA-N 345.403 1.725 0 40 EDAB COCCOc1cccc(C(=O)N[C@H](COC)C2CCOCC2)c1 585113387 YWNONHDGWPDDPF-QGZVFWFLSA-N 337.416 1.883 0 40 EDAB CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCc1ccco1 585121822 BGIOZJALPHGMCA-AWEZNQCLSA-N 337.420 1.489 0 40 EDAB CC(C)c1ccc([C@@H](N)CNC(=O)COCc2nccn2C)cc1 585136404 DWQFLOIESDPRHA-INIZCTEOSA-N 330.432 1.876 0 40 EDAB CN1CCCN(C(=O)NCc2cccnc2OCC(F)(F)F)CC1 65444419 FUAKHUNYRRSJAN-UHFFFAOYSA-N 346.353 1.870 0 40 EDAB CCn1cc(NS(=O)(=O)Cc2ccc(C)c(F)c2)c(C(N)=O)n1 585129080 XGNLWOZMUFIOPB-UHFFFAOYSA-N 340.380 1.391 0 40 EDAB CCOC(=O)c1sc(NC(=O)NC[C@@H](C)O)nc1C(F)(F)F 585119859 XNYYWVOFRBFPOE-RXMQYKEDSA-N 341.311 1.841 0 40 EDAB CN(CC(=O)N1CCC[C@@H]1C1CCCC1)c1ncnc2[nH]cnc12 65493184 WUABMWRGLZLLSD-CYBMUJFWSA-N 328.420 1.970 0 40 EDAB COCc1c(C(=O)N2CCOC[C@H]2CCc2cnccn2)noc1C 257317519 VKBWCTIACFSRHE-CQSZACIVSA-N 346.387 1.393 0 40 EDAB NC(=O)[C@H]1CN(CCc2ccccc2)CCN(C2CCOCC2)C1 257218157 DCBGAYHPWMOUKM-KRWDZBQOSA-N 331.460 1.127 0 40 EDAB Cc1cn(C)c([C@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1 257307414 SYNWDGSHWOUFLF-MRXNPFEDSA-N 340.431 1.962 0 40 EDAB CN1CCC(N2CC[C@@H](Cc3nccnc3-c3nccn3C)C2)CC1 257224781 FDIFZWSSCKWEGV-HNNXBMFYSA-N 340.475 1.836 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(Cc2cccnc2)C1 257344649 ZYDZMDABADZMER-ZDUSSCGKSA-N 334.445 1.663 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@]2(CN)CO)cc1 252515404 JPTPFODCTOUOQV-KSZLIROESA-N 331.437 1.872 0 40 EDAB CC(=O)N1[C@H]2CCN(C(=O)c3cccc(C)n3)C[C@@H]2C[C@]1(C)CO 257325494 WTDPIYIARSCEKI-QILLFSRXSA-N 331.416 1.224 0 40 EDAB C[C@H](Cc1ccccc1F)NC(=O)[C@@H](CO)NC(=O)c1ccccc1 252484283 FTOHZTARPVAHKO-CXAGYDPISA-N 344.386 1.664 0 40 EDAB O=C(Cc1cccs1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257210740 BVYVVSRSWJEEDD-CHWSQXEVSA-N 330.400 1.593 0 40 EDAB CS(=O)(=O)NC(=O)COc1ccc(F)cc1Br 42279982 VZWCOZZTTLIFSY-UHFFFAOYSA-N 326.143 1.043 0 40 EDAB Cc1c(-c2noc([C@@H]3CC[C@@H]4CCCCN43)n2)c(O)nc(=O)n1C 1615003620 YAPTXLMSYJHMRL-QWRGUYRKSA-N 331.376 1.534 0 40 EDAB COC(=O)c1cc(NC(=O)[C@H]2CCC(=O)N2C)c(Cl)c(OC)c1 1615585750 DCUHAXNGKDVICP-SNVBAGLBSA-N 340.763 1.695 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2cnc(C3OCCO3)s2)CC[C@H]1C 1615587219 VMBKRMRGQUIVME-NXEZZACHSA-N 332.447 1.855 0 40 EDAB CCc1nnc(NC(=O)NC[C@H](O)COc2cccc(F)c2)s1 65625008 HPGNNIFABDSLDA-JTQLQIEISA-N 340.380 1.801 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3ccccc3)[C@H]2C1 575402468 AQBOSTMVHDQFJI-USACIQFYSA-N 328.412 1.546 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 585287769 FOHUMYMJNLZFQI-KVSKMBFKSA-N 326.396 1.785 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 585276035 LIRSYHCTBLDTMD-KRWDZBQOSA-N 331.347 1.062 0 40 EDAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)[C@@H]1CCOC1 585112252 NOZPRGHVZUWZQU-IAGOWNOFSA-N 341.411 1.698 0 40 EDAB O=C(c1cocn1)N1CC(F)(F)C[C@@]2(CCN(CC3CC3)C2=O)C1 585093173 HCKDVALNPCGAJQ-HNNXBMFYSA-N 339.342 1.785 0 40 EDAB Cn1c(CN(Cc2ccc(F)cc2F)C2CC2)cc(=O)n(C)c1=O 71810998 AIQVCUPSXRHWRI-UHFFFAOYSA-N 335.354 1.527 0 40 EDAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cn1ccc(=O)n(C)c1=O 44687430 WGXPMASDDHGMOC-ZDUSSCGKSA-N 345.399 1.278 0 40 EDAB CCN(CC)Cc1cccc(NC(=O)CN(C)S(C)(=O)=O)c1 47448010 DVTNAQGTZNDPHO-UHFFFAOYSA-N 327.450 1.358 0 40 EDAB O=C(c1cnc2ccccn2c1=O)N1CCN(c2ccccn2)CC1 55413119 PBGGXDUTKMKHMJ-UHFFFAOYSA-N 335.367 1.052 0 40 EDAB CN(C(=O)C1CC1)c1ccccc1C(=O)NC[C@@H](O)C1CCOCC1 73146911 GXGOLMADQYRFLY-QGZVFWFLSA-N 346.427 1.577 0 40 EDAB COC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(F)c(CN(C)C)c1 75139707 CDKZIACFYZVNHO-OAHLLOKOSA-N 337.395 1.734 0 40 EDAB COCCOCCS(=O)(=O)N1CCC(Cc2ccccc2)CC1 62104860 HREFZLWVASFKIZ-UHFFFAOYSA-N 341.473 1.934 0 40 EDAB CS(=O)(=O)N1CCc2nc(NC(=O)[C@@H]3CC=CCC3)sc2C1 77155439 IHNATYVJUMNEDE-SNVBAGLBSA-N 341.458 1.756 0 40 EDAB CS(=O)(=O)c1ccc(CCC(=O)N2Cc3cccnc3C2)cc1 585392813 QLCKHLWRJKLEJN-UHFFFAOYSA-N 330.409 1.960 0 40 EDAB O=C(COc1ccc(F)cc1Cl)N[C@]1(C(=O)O)CCSC1 43508837 CWTAFEQPVXZFFB-CYBMUJFWSA-N 333.768 1.934 0 40 EDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cnccn1 5170090 BZDGABQVGSFBMO-LLVKDONJSA-N 340.339 1.397 0 40 EDAB CCn1ncc(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)c1C 12115819 ZEIBZWXQEYEASV-UHFFFAOYSA-N 325.376 1.364 0 40 EDAB O=C1O[C@H](C(=O)NC[C@@H]2COc3ccccc3O2)Cc2ccccc21 12890634 LPPQHSVJEPBFHA-DYVFJYSZSA-N 339.347 1.724 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NC1CCCC1 16187720 CECCOEFMNZBPLL-UHFFFAOYSA-N 344.408 1.514 0 40 EDAB Cc1ccc(C(=O)N[C@@H](C(=O)NC2CCN(C)CC2)C(C)C)cc1 23187949 FMZKONZNIBBDJG-QGZVFWFLSA-N 331.460 1.960 0 40 EDAB Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cc(Br)c[nH]1 583620091 XGRFKZLXJIXTSS-CABZTGNLSA-N 339.193 1.771 0 40 EDAB O=C(CCNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc[nH]1 6180885 KPQRKVNDKGCYSD-UHFFFAOYSA-N 336.369 1.109 0 40 EDAB Cc1nnc(N2CC(NC(=O)c3ccc(Br)o3)C2)s1 1888843196 ZWYLICXDJPPRRU-UHFFFAOYSA-N 343.206 1.821 0 40 EDAB CC(C)N(C)CC(=O)N1CCC2(CC1)CCN(c1cncnc1)C2=O 1565544675 NTSWZKRHCOOSEU-UHFFFAOYSA-N 345.447 1.162 0 40 EDAB Cc1nc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)NCC3CC3)C2)cs1 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CCOc1ccc(-n2nc(CO)c(C(=O)NC3CCCC3)n2)cc1 20869392 UYZGFBVLXGUZRK-UHFFFAOYSA-N 330.388 1.831 0 40 EDAB C[C@H]1C[C@H](N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)C(=O)O1 52110230 XQVBASXNRPKYRA-HZMBPMFUSA-N 340.782 1.941 0 40 EDAB CCOC(=O)c1sc2ncnc(N3CCC[C@@H](C(N)=O)C3)c2c1C 21364003 BQJOXANSPVKQPZ-SNVBAGLBSA-N 348.428 1.878 0 40 EDAB C/C(=N\NC(=S)NC[C@H]1CCCO1)[C@H]1Cc2ccccc2C(=O)O1 54279967 KEGYLVPUWMLLKE-SYCAWLLHSA-N 347.440 1.787 0 40 EDAB O=C(Cc1ccc(F)cc1)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 47635886 ZZAJKZFDCPXPKQ-NVXWUHKLSA-N 336.407 1.222 0 40 EDAB Cc1cc(=O)oc(C)c1C(=O)NCc1cccc(Cn2cncn2)c1 78986071 YGYGVFQYJDTTFA-UHFFFAOYSA-N 338.367 1.826 0 40 EDAB Cc1cnn([C@@H]2CCCN(CCNS(=O)(=O)c3ccccc3)C2)c1 105901557 ZYAPVAHWNIQQJQ-MRXNPFEDSA-N 348.472 1.807 0 40 EDAB NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1cccc(F)c1F 106185703 GJGDCMSSHAWBIW-USWWRNFRSA-N 344.383 1.772 0 40 EDAB COCCN(CCOC)C[C@@H](O)COCc1ccc(OC)cc1 6936572 QYXWCSBBONNTEK-MRXNPFEDSA-N 327.421 1.168 0 40 EDAB CC(C)[C@H](C)NC(=O)COC(=O)CCN1C(=O)COc2ccccc21 7223677 PISFNSLJIVQPMS-ZDUSSCGKSA-N 348.399 1.506 0 40 EDAB C[C@H]1CN(CC(=O)NCc2cccc(Cl)c2)CCN1C[C@@H](C)O 71864211 KZNOXCCIPGCLEO-UONOGXRCSA-N 339.867 1.343 0 40 EDAB C[C@H](O)CN1CCC(CNCC(=O)NCc2ccccc2F)CC1 71870970 BRLBKQUCIYEIQC-AWEZNQCLSA-N 337.439 1.124 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(Cc3cccs3)CC2)cn1 71841286 HWIFGFKORMJUHK-JKSUJKDBSA-N 330.457 1.930 0 40 EDAB Cc1cccc(CN2CCN(C(=O)c3ncccc3O)[C@H](C)C2=O)c1 55308006 DRDVZIHLKXOXKA-CQSZACIVSA-N 339.395 1.969 0 40 EDAB C[C@@H](CO)NC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 84640300 AGJCPLCLVYTXDD-NSHDSACASA-N 335.404 1.960 0 40 EDAB O=C(C[C@H](C(=O)O)N(CCO)Cc1ccccc1)Nc1ccccc1 10384083 ZVFIOKCYPRCTEF-QGZVFWFLSA-N 342.395 1.963 0 40 EDAB CC(=O)N1CCCN(C(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 71827299 CSOPLKPZZVCUDL-INIZCTEOSA-N 347.390 1.259 0 40 EDAB COc1cc(C(=O)OCC(=O)NC(N)=O)ccc1OCCC(C)C 8390156 OVNDACGZTNPNHS-UHFFFAOYSA-N 338.360 1.472 0 40 EDAB CCC(CC)NC(=O)COC(=O)Cc1nn(C)c(=O)c2ccccc12 8391402 KDXLPVHPOTUIDE-UHFFFAOYSA-N 345.399 1.324 0 40 EDAB CCOC1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 71820669 XCGNVSUDTRYZRA-UHFFFAOYSA-N 331.372 1.531 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 47927662 AGUPLSSFAPJWEF-HNNXBMFYSA-N 343.420 1.796 0 40 EDAB Cc1cc(CN2CCC[C@H]([C@]3(C)NC(=O)N(C(C)C)C3=O)C2)no1 107584324 MMVCZGVEWJQJSA-GUYCJALGSA-N 334.420 1.914 0 40 EDAB O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc(N2CCCC2)nc1 48086272 SYTFXBIOOLBWTD-MRXNPFEDSA-N 347.463 1.650 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)c(-c2cccnc2)n1 71839318 LKRMTCGEBYTXSN-MRXNPFEDSA-N 349.394 1.978 0 40 EDAB CCOC(=O)[C@H](NC(=O)c1[nH]c(CC)c(C(=O)OC)c1C)C1CC1 71893589 FOZUNAFEDBLEIJ-CQSZACIVSA-N 336.388 1.744 0 40 EDAB COCc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 71883823 NIVPTDUWZAIIRO-HNNXBMFYSA-N 345.443 1.905 0 40 EDAB Cc1nc(NC(=O)[C@@H](C)N(C)CC(=O)NC(C)(C)C)sc1C 26907236 AMAYEARKBRGPSX-SNVBAGLBSA-N 326.466 1.933 0 40 EDAB O=C(NCCN1CCN(C(=O)c2ccsc2)CC1)C1CCCC1 44453521 KPUFUBYLXLWTMR-UHFFFAOYSA-N 335.473 1.812 0 40 EDAB CON(C)C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O 48178633 RGDJUPRJSWQFBT-LLVKDONJSA-N 327.178 1.822 0 40 EDAB CCc1c(C)sc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c1C(N)=O 101345306 KOAYORSSLRVDCK-QSFUFRPTSA-N 334.397 1.385 0 40 EDAB C[C@@H](CCc1ccco1)NC(=O)Cn1nnn(-c2cccs2)c1=O 48261703 SKRGYTSYCMVIMN-NSHDSACASA-N 347.400 1.221 0 40 EDAB COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 100634905 ZVBPDJBZBVKMAA-RSUWNVLCSA-N 337.734 1.939 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CC(=O)Nc1cccc(F)c1 12784100 QEAPJUIKTZWKTO-JTQLQIEISA-N 347.398 1.290 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 44721569 SWOKGDJGMVAZHZ-LBPRGKRZSA-N 349.412 1.045 0 40 EDAB CNC(=O)CN(C)C(=O)c1cccc(NC(=O)c2cccs2)c1 12790467 HLUPSXJBWBLTFW-UHFFFAOYSA-N 331.397 1.818 0 40 EDAB O=C(Cc1ccc(-n2cccn2)cc1)NCCC(=O)Nc1ccccn1 58101015 QNRBPIAAUGWDOE-UHFFFAOYSA-N 349.394 1.955 0 40 EDAB CC1CCN(CCCNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 44869553 UKQCFUJWFFKPQW-HNNXBMFYSA-N 345.509 1.039 0 40 EDAB O=C(Cn1cccn1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 44895492 BIAMXMRARVWYSZ-INIZCTEOSA-N 332.379 1.212 0 40 EDAB CCCN(CC(F)(F)F)C(=O)COc1ccc(CC(N)=O)cc1 58271854 PQCMAUBJTJPANX-UHFFFAOYSA-N 332.322 1.894 0 40 EDAB Cc1nc(CN2CCC3(CC2)C[C@@H](NC(=O)N(C)C)CCO3)c[nH]1 108533443 YYQXYDRTXCNGSK-AWEZNQCLSA-N 335.452 1.503 0 40 EDAB Cn1cc(CCC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)cn1 58214642 RGHLTOFTRWKALX-MRXNPFEDSA-N 326.400 1.982 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCCN1CCOCC1 27773371 SUCIHUBQEFHKTF-UHFFFAOYSA-N 336.480 1.537 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)no1 58329349 HEAIRBJTMCTRPX-MRXNPFEDSA-N 346.318 1.528 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3cc4c(cc3O)CCCC4)CC2)N1 58369475 PZHHQQUNQNNYCI-UHFFFAOYSA-N 343.383 1.085 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3[C@@H]4[C@@H]5[C@H]3[C@@H]2[C@@]52CC=CC[C@]412 104280509 VJTMZINAWGVKDV-QPCSSTAJSA-N 331.375 1.739 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccc(-n2ccnc2)nc1)c1ccco1 48380313 ALQXOSXYJJMKGZ-AWEZNQCLSA-N 325.372 1.893 0 40 EDAB CCOC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O 36358875 UDOWYMOCSPRVJP-UHFFFAOYSA-N 328.371 1.049 0 40 EDAB C[C@@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccccn1 28782982 UUWIFHQBOAVOOI-LLVKDONJSA-N 327.340 1.418 0 40 EDAB CN(Cc1ccsc1)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 28880224 NXORUHDQYZGNRQ-UHFFFAOYSA-N 329.381 1.410 0 40 EDAB O=C(NCCNC(=O)C(F)(F)c1ccccn1)c1cccs1 95442104 AQCHPRGKNNKTON-UHFFFAOYSA-N 325.340 1.781 0 40 EDAB CCCCCn1c(Sc2ncccn2)nc2c1c(=O)[nH]c(=O)n2C 2407121 MFKJFPPAYPUYDU-UHFFFAOYSA-N 346.416 1.555 0 40 EDAB COc1ccc(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)cc1 20456704 WABQWHVAXFOTIX-UHFFFAOYSA-N 340.445 1.862 0 40 EDAB O=C(Cn1cncn1)NC[C@H](c1ccccc1Cl)N1CCOCC1 46222074 VWZRKWXMPGGJQR-OAHLLOKOSA-N 349.822 1.121 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)N[C@H](C)[C@H]2CCCO2)cc1F 29735268 QSXMVMCKZWKCOP-IUODEOHRSA-N 337.395 1.731 0 40 EDAB CN(Cn1nc(C(F)(F)F)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 12869267 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O=C(COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc[nH]1 6784322 XURGVAMVACQGMW-OAHLLOKOSA-N 340.379 1.832 0 40 EDAB O=C(CN1CCCCC1)N1CCN(C(=O)Nc2ccccc2)CC1 14914400 DBISQPMLWURTJV-UHFFFAOYSA-N 330.432 1.849 0 40 EDAB COc1ccc(Cc2noc(CCN3CCCC3=O)n2)cc1OC 83960359 WPAKAJQCBOTQRI-UHFFFAOYSA-N 331.372 1.843 0 40 EDAB CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)N(C)[C@@H](C)C1CC1 66916096 GNMXUMOPHZWCAE-WCQYABFASA-N 349.522 1.203 0 40 EDAB CCCn1nnnc1Cn1cnc2c(cnn2-c2ccccc2)c1=O 7185956 NDOXDZSNZSXNKG-UHFFFAOYSA-N 336.359 1.027 0 40 EDAB O=C(O)Cn1cc(C(=O)Nc2cc(Br)ccc2F)nn1 90718398 XMDMSJYUNQACFE-UHFFFAOYSA-N 343.112 1.517 0 40 EDAB CCN(CC)C(=O)CN1CCN(C(=O)Nc2cccc(OC)c2)CC1 70036885 FXVCWXFDRSDDAT-UHFFFAOYSA-N 348.447 1.713 0 40 EDAB CN(CC(=O)Nc1cccc(-n2cccc2)c1)[C@H]1CCS(=O)(=O)C1 70039326 SGAHNXIVQHHNRO-INIZCTEOSA-N 347.440 1.535 0 40 EDAB Cc1ccc(N2CCC[C@@H](NCC(=O)NC(C3CC3)C3CC3)C2)nn1 70016762 OOFHLNHABCRUPN-MRXNPFEDSA-N 343.475 1.648 0 40 EDAB Cc1cc2ncn(C[C@@H](O)CN[C@@H](C)Cn3cccn3)c2cc1C 69390120 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EDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)NCCc1ccsc1 69564447 DSPIOZRIFQDMNJ-OAHLLOKOSA-N 333.461 1.553 0 40 EDAB COCCNC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C(C)C 67235897 YTQXLFYYXXPJNU-UHFFFAOYSA-N 338.433 1.469 0 40 EDAB CO[C@@H]1CCCN(C(=O)NCCNC(=O)Cc2ccc(F)cc2)C1 69699697 SIAYSALAFKULFF-OAHLLOKOSA-N 337.395 1.305 0 40 EDAB Cn1cc(CN2CCCN(C(=O)CCCn3cccn3)CC2)cn1 69667311 OOMMALNSEQFEHE-UHFFFAOYSA-N 330.436 1.131 0 40 EDAB O=C(c1ccc(-n2ccnc2)nn1)N1CCCC[C@@H]1Cn1cccn1 69709158 JRTLCZMOWPIONM-CQSZACIVSA-N 337.387 1.554 0 40 EDAB O=S(=O)(CCNc1ncnc2ccsc12)N1CCSCC1 69737377 RIFPAXCBHHMKHX-UHFFFAOYSA-N 344.487 1.482 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 71827097 ABPDLGOSEOCRAI-CQSZACIVSA-N 340.420 1.398 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)[C@@H](NC(C)=O)C1CCCC1)C2 69968392 PKFFHMCPDJGKEV-KRWDZBQOSA-N 345.447 1.488 0 40 EDAB CCCN(CCNS(C)(=O)=O)C[C@H]1COc2ccccc2O1 69900958 ZERKNDNAOBYJBM-ZDUSSCGKSA-N 328.434 1.088 0 40 EDAB COCCNC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 71803425 BTFAKISSKJTAAF-UHFFFAOYSA-N 327.406 1.237 0 40 EDAB Cn1cc(C(N)=O)cc1C(=O)O[C@H]1CCCN(Cc2ccccc2)C1 97084334 CAVFEKWZPDREDD-INIZCTEOSA-N 341.411 1.945 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)c3cnn(CC(C)C)c3)CC2)on1 97081708 XPZQDNOPURUXAP-UHFFFAOYSA-N 345.403 1.434 0 40 EDAB O=C1C[C@@H](NC(=O)N2CCC[C@@H](CO)C2)CN1Cc1ccccc1 72274352 XIPFJPRQQAYXMD-HZPDHXFCSA-N 331.416 1.201 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(c3ncc(F)cn3)C[C@H]12)c1ccco1 306132934 LWTLFOBGHYPIDE-ZKYQVNSYSA-N 332.335 1.090 0 40 EDAB CCCCNC(=O)Cc1noc(-c2n[nH]c(=O)c3ccccc23)n1 72274880 APDQCIWWFWKBNG-UHFFFAOYSA-N 327.344 1.432 0 40 EDAB Cc1cccc(NC(=O)C(=O)NCC[S@](=O)Cc2ccccc2)c1 72287031 FKMUXEZJYMGJRL-XMMPIXPASA-N 344.436 1.999 0 40 EDAB COc1ccccc1CN1CCN(c2nc(N)nc3nc[nH]c23)CC1 97115305 VRQZXFZSRMMTAI-UHFFFAOYSA-N 339.403 1.266 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCc3nccn3C2)cc1 97197716 PJDYMRHEDFMOAX-CQSZACIVSA-N 333.413 1.173 0 40 EDAB CCc1cccc(OCCN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)c1 72300793 RVIAAEUIIVFWES-DNVCBOLYSA-N 345.443 1.938 0 40 EDAB CNC(=O)[C@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3)c2)C1 72543466 KLVYXOPVIXFUIG-HNNXBMFYSA-N 341.415 1.921 0 40 EDAB CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1ccc(C(N)=O)cc1 95986190 DKTUMXYWLNKFEQ-UHFFFAOYSA-N 343.349 1.884 0 40 EDAB Cc1c(C(=O)NC2=NCC(=O)N2)oc2ccc(Br)cc12 95954056 HLGMOYNDJVWNHL-UHFFFAOYSA-N 336.145 1.719 0 40 EDAB Cc1ccccc1CN1CCCN(S(=O)(=O)[C@@H]2CCOC2)CC1 95398582 HDLPAOALIPJZAE-QGZVFWFLSA-N 338.473 1.621 0 40 EDAB COC(=O)[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)C[C@@H](C)O1 89496957 ZXFSUQSKPOJOLT-WBMJQRKESA-N 333.363 1.774 0 40 EDAB O=C(O)CCCCCCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 89797744 NQYHVPVXBPHHJW-CYBMUJFWSA-N 336.388 1.779 0 40 EDAB O=C1C[C@@H](c2ccccc2)N(Cc2nc3ccccc3c(=O)[nH]2)CCN1 89827856 CEQVWEAOMHOCMB-KRWDZBQOSA-N 348.406 1.986 0 40 EDAB O=C(C1CCN(c2ncccn2)CC1)N1CCC[C@H](n2cncn2)C1 75583615 VOFOZNMLBRFSJJ-HNNXBMFYSA-N 341.419 1.148 0 40 EDAB C[C@@H](NC(=O)NCc1ccccc1Cn1cncn1)c1cnn(C)c1 76084811 YCFCDLBKMLCRAM-CYBMUJFWSA-N 339.403 1.620 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 17169734 VMIVWJFSOQTDSK-UHFFFAOYSA-N 328.368 1.943 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)O)cc1C 548207190 LNMSBCSUXZUPIX-CQSZACIVSA-N 348.424 1.920 0 40 EDAB O=C(NC[C@@H]1CCCN(C(=O)CCc2ccsc2)C1)[C@@H]1CCCN1 122144083 FLGTVHGJFRCJQX-HOTGVXAUSA-N 349.500 1.788 0 40 EDAB Cn1cnc([C@@H]2CN(C(=O)NCC3(C(F)(F)F)CC3)C[C@H]2N)c1 1553487868 SKWKKAIWFQAEAJ-NXEZZACHSA-N 331.342 1.199 0 40 EDAB O=C1CCCN1C[C@H]1CC[C@@]2(COCCN(C3CCOCC3)C2)O1 306132248 LCYGCDWWOWAORR-SJLPKXTDSA-N 338.448 1.038 0 40 EDAB O=C1CC[C@H](C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)N1 38735802 YUDQTFQQUOOMEB-GFCCVEGCSA-N 328.397 1.873 0 40 EDAB CCn1c(CN2CCO[C@H](Cn3cncn3)C2)nc2cc(F)ccc21 71876616 LIWIGVIIZAHHDN-AWEZNQCLSA-N 344.394 1.688 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(F)cc2)s1 36182605 BGVZIMNKAUYOQX-UHFFFAOYSA-N 330.366 1.114 0 40 EDAB O=C(c1ccc(Cl)s1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 38745089 RIECYILXKMMUPQ-JTQLQIEISA-N 348.877 1.346 0 40 EDAB NCC(=O)N1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1 79412585 WGPLIOAYXBYLMP-UHFFFAOYSA-N 331.416 1.737 0 40 EDAB CCNc1cc(C)nc(NCCNS(=O)(=O)c2cccs2)n1 70655583 KOWLLQSZLGIHKA-UHFFFAOYSA-N 341.462 1.669 0 40 EDAB CCN1C[C@@H](C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)CC1=O 79353266 IOWQVSZAPOOMPL-HOCLYGCPSA-N 330.432 1.155 0 40 EDAB O=C(c1cc(O)nc(C2CC2)n1)N1CC[C@H](OCc2ccccn2)C1 565186499 SJBJLOICPSADIJ-AWEZNQCLSA-N 340.383 1.886 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)NCc1nc2ccccc2[nH]1 44226189 WDTGTWCRYHJOJQ-UHFFFAOYSA-N 348.366 1.374 0 40 EDAB Cn1nc(C(=O)NC[C@@H]2CCCO2)cc1NC(=O)c1cccs1 40745925 MHPVAYSUDURDOT-JTQLQIEISA-N 334.401 1.643 0 40 EDAB O=C(CSc1ncn[nH]1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 69845250 IGKHMNARDJCTBB-SNVBAGLBSA-N 339.371 1.570 0 40 EDAB Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)nc2cc(N)ccc21 43959365 BDYQAVMUVYQSCP-KGLIPLIRSA-N 349.438 1.937 0 40 EDAB CN([C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1)S(C)(=O)=O 223746154 QXTZOGWQUZUQLJ-DTZQCDIJSA-N 336.457 1.924 0 40 EDAB COCCN([C@H]1CCOC1)S(=O)(=O)c1cc(C)ccc1OC 225684734 UUQQYPZPLSUAAV-ZDUSSCGKSA-N 329.418 1.430 0 40 EDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(Br)cc1F 42645835 UBXMZJHXGQECHZ-SECBINFHSA-N 345.168 1.822 0 40 EDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCc1c(C)nn(C)c1C)O2 40779448 DDNMIFMLACWCTQ-SFHVURJKSA-N 342.399 1.751 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCCc2c1cnn2C 87059043 ZVIQHPDUUOBDBP-OLZOCXBDSA-N 343.435 1.786 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCCN(C(=O)C2CCC2)C1 1070350791 RDXSMTHMXLUDJJ-GXTWGEPZSA-N 347.415 1.305 0 40 EDAB NC(=O)c1cccc(NC(=O)COc2ccn(-c3ccccc3)n2)c1 227150355 FBWYQRURIGMAJY-UHFFFAOYSA-N 336.351 1.989 0 40 EDAB Cc1cn2nc(N[C@H]3CCN(C(=O)Cc4ccoc4)C3)ccc2n1 583823142 LUZUKFGOJSYCBL-AWEZNQCLSA-N 325.372 1.886 0 40 EDAB O=C(Cc1ccccn1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 96109049 IHYXSDCHKPOWRJ-BEFAXECRSA-N 339.395 1.573 0 40 EDAB Cc1cc(C(=O)Nc2nc([C@@H]3CCCO3)n[nH]2)c2c(C)nn(C)c2n1 95476138 LBHVFRJVYHMLGZ-NSHDSACASA-N 341.375 1.807 0 40 EDAB Cc1sc2ncc(C(=O)N[C@H]3CCC[C@]3(C)CO)c(=O)n2c1C 96492960 WYZSDOFHOWUKQU-BLLLJJGKSA-N 335.429 1.654 0 40 EDAB Cc1noc(CN2CCN(c3nnc(-c4ccccn4)s3)CC2)n1 96502979 OLHPEJSKTPHTRJ-UHFFFAOYSA-N 343.416 1.614 0 40 EDAB COCCn1c2c(ccc1=O)C[C@@H](NCc1cccnc1OC)CC2 96189670 XENZBINMXKNBEL-INIZCTEOSA-N 343.427 1.545 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3cccs3)C[C@@H]12)N1CCCO1 96057302 VLUVYYYWHLQYJT-FMKPAKJESA-N 336.457 1.997 0 40 EDAB CN(Cc1cncnc1)[C@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12 96065216 VRWXGUIKOHJLGG-QYZOEREBSA-N 339.443 1.735 0 40 EDAB CCc1ccc(CN2C[C@@H](NC(=O)c3ccno3)[C@@H]3OCCC[C@@H]32)o1 96186897 FTTOCJABRVZRGY-VYDXJSESSA-N 345.399 1.992 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 96158809 OQQARWNOZGMSOC-UHFFFAOYSA-N 339.461 1.098 0 40 EDAB c1cncc(CN2CCO[C@]3(CCCN(c4nncs4)C3)C2)c1 96226622 QDRNBXMJARTTNP-MRXNPFEDSA-N 331.445 1.805 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2CCN2CCCC2=O)cc1 583615513 AWFFZPPMFRALHN-MJGOQNOKSA-N 332.444 1.990 0 40 EDAB Cn1nnc2cc(C(=O)N3C[C@@H](N)CC[C@H]3C(F)(F)F)ccc21 583619762 DRIHWSJKKSBHAV-CABZTGNLSA-N 327.310 1.463 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCC(N3CCCOCC3)CC2)c1 583650862 ARQZRVJEIGUFNB-UHFFFAOYSA-N 338.473 1.870 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)COc2ccc(F)cc2)[C@@H]1c1cccnc1 583619544 LUWBONNWCMYILP-QAPCUYQASA-N 343.358 1.688 0 40 EDAB Cc1nc(CN2C(=O)COC3(CCN(C(N)=O)CC3)[C@@H]2C)cs1 96201597 SMPZZLDITGKOOQ-JTQLQIEISA-N 338.433 1.112 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CCN(Cc3ccccn3)CC2)C1 96157574 YJUDTJSGYGBTER-INIZCTEOSA-N 329.444 1.933 0 40 EDAB O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)N1CCCC1 96044447 HMABKKHNAJXUQG-MRXNPFEDSA-N 348.447 1.729 0 40 EDAB Cn1cc(-c2ccnc(N3CCN(c4ccccc4)C(=O)C3)n2)cn1 23380497 NXEVMZHRSLRBIQ-UHFFFAOYSA-N 334.383 1.730 0 40 EDAB C[S@@](=O)CCNC(=O)NCCc1ccccc1Br 96408810 TWRKFFUNKPPNQG-SFHVURJKSA-N 333.251 1.669 0 40 EDAB Cc1cccc(CN2CC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)n1 96072553 MPAIKZFJXHNNOV-FUHWJXTLSA-N 326.400 1.992 0 40 EDAB CCS(=O)(=O)N1CCc2c(cccc2NCc2cn(C)cn2)C1 585083579 IUMGGLBXUWVCGN-UHFFFAOYSA-N 334.445 1.740 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@H](Cc2ccc(-c3ccnn3C)nc2)C1 257307013 SWWOFQKXWXNLQO-CQSZACIVSA-N 349.460 1.153 0 40 EDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3scnc3C)C2)ncn1 257255417 KHJVDVWBBVBKOF-MRXNPFEDSA-N 347.444 1.263 0 40 EDAB CN1CCCC[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O 585122250 SSQIIYRUUSQPFJ-HUUCEWRRSA-N 335.448 1.010 0 40 EDAB Cc1cc(C(=O)N2C[C@@H]3OC[C@H](CCOc4cccnc4)[C@@H]3C2)on1 253600755 YTAQBCKZSKCTJO-QRTARXTBSA-N 343.383 1.934 0 40 EDAB O=C(c1n[nH]c2c1CCC2)N1CCOC[C@@H](Cc2ccncn2)C1 257219196 DFYZAOAEJQWJEL-LBPRGKRZSA-N 327.388 1.020 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3nccn3C)CCN2C(C)=O)cc1 257293733 QQYHWTVIDXGOAU-MRXNPFEDSA-N 342.399 1.474 0 40 EDAB CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](O)C(C)(C)N(C(C)=O)C2 257262419 LLHYXJFREQEUDU-CQSZACIVSA-N 346.493 1.200 0 40 EDAB Cc1c[nH]c([C@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 257340333 ZFODXCCOVATPAG-LBPRGKRZSA-N 326.356 1.642 0 40 EDAB C[C@@H]1Oc2cc(S(=O)(=O)NCCc3ccccc3)ccc2NC1=O 252482383 DEFLSFODTVDQMO-LBPRGKRZSA-N 346.408 1.927 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)CC1CCOCC1 257226937 FMVQEQWUXYAOKX-IBGZPJMESA-N 347.459 1.688 0 40 EDAB CCO[C@H]1C[C@@](NC(=O)c2cnn3ccc(C)nc23)(C(=O)O)C1(C)C 262824677 QFLKZVXACFZKKW-YVEFUNNKSA-N 346.387 1.426 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CC[C@@H]([C@H](F)C(=O)O)C2)cc1C 1614994373 KAVDHJNLRYFXPO-RISCZKNCSA-N 345.392 1.745 0 40 EDAB COCCS(=O)(=O)N[C@@](C)(C(=O)OC(C)(C)C)C(F)(F)F 1615055232 KNDZGGJMXWDMDG-JTQLQIEISA-N 335.344 1.215 0 40 EDAB O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)N1CCOCC2(CC2)C1 1615589651 FGVBZDMESFLWIQ-KBPBESRZSA-N 333.354 1.350 0 40 EDAB Cc1ccc(Cn2nnnc2N2CCC[C@@H](C3(C)OCCO3)C2)o1 1616033031 YMTGTDBXSURVFO-CYBMUJFWSA-N 333.392 1.602 0 40 EDAB CO[C@H]1[C@H](C(=O)NCCc2ccccc2F)CC[C@H]1N(C)C(C)=O 585280951 QRKMFQBXTRQFTK-OIISXLGYSA-N 336.407 1.756 0 40 EDAB CCOc1ccccc1N1CCN(Cc2nnnn2C2CC2)CC1 40493967 WMYXMWHOYFMFSG-UHFFFAOYSA-N 328.420 1.729 0 40 EDAB Cc1cc(CN2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)on1 40479597 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O=C(O)[C@@H]1CN(S(=O)(=O)Cc2c(F)cccc2Cl)CCO1 584216485 RVRCHYQZBMXJKD-NSHDSACASA-N 337.756 1.094 0 40 EDAB Fc1cncnc1N1CCC(COc2ccc3nccn3n2)CC1 1888869899 XLPXWZNIBDWMTJ-UHFFFAOYSA-N 328.351 1.954 0 40 EDAB NC(=O)CN1CCC(NC(=O)COc2ccc3ccccc3c2)CC1 14482492 OGULJFZEWAUXCW-UHFFFAOYSA-N 341.411 1.285 0 40 EDAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)NCCc1ccccc1 16313794 OVFQNEHHAGTMCU-UHFFFAOYSA-N 329.352 1.772 0 40 EDAB COc1ccnc(N2CCN(Cc3cc(F)ccc3OC)CC2)n1 24574534 ASDFCGMUDIYTJV-UHFFFAOYSA-N 332.379 1.955 0 40 EDAB CC1CCN(C(=O)CN2CCC[C@H]2c2ccc3c(N)[nH]nc3n2)CC1 2037633214 WWNWWMJUNHYHAC-HNNXBMFYSA-N 342.447 1.936 0 40 EDAB CC(C)N1C[C@H]2CN(C(=O)Cc3ccncc3)CC[C@@H]2OCC1=O 2037984686 KCSBZNOGAPGHCG-CVEARBPZSA-N 331.416 1.108 0 40 EDAB O=C1CC(C(=O)N2C[C@H]3CCN(c4ncccn4)CC[C@H]3C2)=CC=N1 2056223805 CKTLOMVGOOCQAB-GASCZTMLSA-N 339.399 1.079 0 40 EDAB O=C(c1cc[nH]c1)N1C[C@H](OCC2CCOCC2)[C@H]2OCCC[C@H]21 1565547217 MBJHOMAIUXMZNQ-IKGGRYGDSA-N 334.416 1.830 0 40 EDAB O=C1CCc2cc(S(=O)(=O)NCc3ccco3)cc3c2N1CCC3 4850742 YXPBDYTYSYVCQH-UHFFFAOYSA-N 346.408 1.984 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2cccc(C)c2)C1 2055771530 FOZDTARCWHONDM-SFHVURJKSA-N 326.400 1.569 0 40 EDAB O=C(NCC1CCC1)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713802 MHDLAHANDUQPKM-CQSZACIVSA-N 330.432 1.598 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(Cc1cn[nH]c1)C2 2055814172 FCWUHYWRNXRVOQ-INIZCTEOSA-N 331.445 1.394 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)CCSC 1775967400 QEFQPMKIEUIPOF-JTQLQIEISA-N 339.866 1.741 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1C(N)=O)n1nc2c(cc1=O)CCC2 575619136 HMOBGRSASXHROA-JTQLQIEISA-N 326.356 1.031 0 40 EDAB O=c1[nH]nc2c(N3CC[C@@H](NCc4c[nH]c5ccccc45)C3)nccn12 67350119 FKFPXEZTNACCOK-CYBMUJFWSA-N 349.398 1.267 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)NCC[C@@H](O)c2ccco2)cc1 77112420 ZHSQCHRSZCTPSI-CYBMUJFWSA-N 346.339 1.245 0 40 EDAB O=S(=O)(NCCNc1cnccn1)c1ccc2c(c1)CCCC2 31584473 FLHLCSXMOQQSLG-UHFFFAOYSA-N 332.429 1.746 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1COc2ccc(Cl)cc2C1 40467912 MNNKBZSMZJZOFF-PWSUYJOCSA-N 329.805 1.194 0 40 EDAB COc1c(C)cnc(CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1C 51470808 AJXFVCRGIADJGN-OAHLLOKOSA-N 345.443 1.972 0 40 EDAB COc1ccc(CNC(=O)c2ccc(F)cc2-n2cnnn2)cc1 20744790 SQIWCFJXUDHXSA-UHFFFAOYSA-N 327.319 1.740 0 40 EDAB C[C@@H]1Oc2ccccc2N(CC(=O)NCCc2ccccn2)C1=O 32657253 BXTGLSWVBPUEBC-ZDUSSCGKSA-N 325.368 1.554 0 40 EDAB Cc1ccc(OCCCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 21473658 SXCRXYRJOSCEIJ-UHFFFAOYSA-N 345.399 1.355 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(OC)c1 102342075 OCEATPRHDSTSSA-CHWSQXEVSA-N 344.367 1.594 0 40 EDAB O=C(NC[C@H]1CCOC1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 41370007 IYFYJLDZCFPJGT-LLVKDONJSA-N 329.356 1.614 0 40 EDAB Cc1noc(C)c1CSCC(=O)NCc1cccc(C(N)=O)c1 23133472 ZJOFTKJHHGHBSW-UHFFFAOYSA-N 333.413 1.940 0 40 EDAB COc1ncccc1NC(=O)NCCS(=O)(=O)c1ccccc1 47549366 XGZCJSOURRWAKY-UHFFFAOYSA-N 335.385 1.686 0 40 EDAB CCCn1nc(C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)ccc1=O 43056014 PZDIHGBRKCTOLD-ZDUSSCGKSA-N 328.372 1.149 0 40 EDAB CC1CCN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 308659 FMQKVHQEQMODAD-UHFFFAOYSA-N 328.409 1.850 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@H]1N(C)C 78895700 HYOYJRPRYASBCB-UKRRQHHQSA-N 329.400 1.512 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cn(CC(=O)C(C)(C)C)nn1 78902894 SEMSDIFENFHLPA-LBPRGKRZSA-N 344.419 1.434 0 40 EDAB COC[C@H]1CCCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)C1 79099532 PIUIBUAAJGIBSA-NSHDSACASA-N 326.343 1.580 0 40 EDAB Cc1nc2c3ccccc3nn2c(C)c1CC(=O)NCCN(C)C 79480950 CAZXTAMADAZHGJ-UHFFFAOYSA-N 325.416 1.720 0 40 EDAB CCOC(=O)C1=[N+]([O-])O[C@@H](C(=O)OCC)[C@H]1c1c[nH]c2ccccc12 3098271 DYTXRRGYJIFRPF-DZGCQCFKSA-N 346.339 1.643 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)c1 24095536 DPRBXROAIJFUAI-HRCADAONSA-N 329.396 1.994 0 40 EDAB CCOC(=O)[C@H]1[C@@H](c2cccnc2)NC(=S)N[C@]1(O)C(F)(F)F 4140105 RSLVVUUOPBHYPT-KBVBSXBZSA-N 349.334 1.031 0 40 EDAB CC(C)n1c(CN2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 4370712 LJTYZLJZLBFQTL-STQMWFEESA-N 347.463 1.493 0 40 EDAB CC(=O)c1ccc(OC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 7666955 HLCSWAPYLRALPB-UHFFFAOYSA-N 346.364 1.292 0 40 EDAB CC(C)[C@H](CNS(=O)(=O)c1ccccc1F)N1CCOCC1 25373669 FOBVOQNQOAQVCU-AWEZNQCLSA-N 330.425 1.461 0 40 EDAB COc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)N1CCCC1 8476113 ODZNJMYJUZVBGA-UHFFFAOYSA-N 326.418 1.618 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)C1 56803637 GKNRCAFXMQTHSP-ZDUSSCGKSA-N 349.406 1.391 0 40 EDAB CS(=O)(=O)N1CC[C@H](F)[C@@]2(CCN(C(=O)c3ccco3)C2)C1 107244569 SGAHZFMGYWNKOD-GXTWGEPZSA-N 330.381 1.115 0 40 EDAB CN1CC[C@@H](C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1=O 44343608 RLJDRIQNSLMFJK-SJORKVTESA-N 345.443 1.045 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)c2cccc(-n3cccc3)c2)CC1 44777713 CDWSHTKVMCCCKV-UHFFFAOYSA-N 347.440 1.631 0 40 EDAB Cc1ccc(CN2CC[C@@H]3OCCN(C(=O)c4cnccn4)[C@H]3C2)o1 108535244 CPFCMHAOXQUNAC-IRXDYDNUSA-N 342.399 1.494 0 40 EDAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(c2ncccn2)CC1 12615062 BWSPPAMPLGRUSZ-LBPRGKRZSA-N 346.822 1.674 0 40 EDAB O=C1[C@H](NS(=O)(=O)c2cccc(F)c2)CCN1Cc1ccccc1 58195254 PVUZZZLKVRTQFA-MRXNPFEDSA-N 348.399 1.905 0 40 EDAB COc1ccc(N(C)S(=O)(=O)c2c(C)nn(C)c2C)cc1OC 58193718 NIQWVTUFJDFRJL-UHFFFAOYSA-N 339.417 1.879 0 40 EDAB O=C(NCCn1ccnc1)c1cccc(S(=O)(=O)NCC2CC2)c1 48141979 PDYMNTSCJYPKSG-UHFFFAOYSA-N 348.428 1.001 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2cccc(Cl)c2)C1 58019167 SAPWTKCKUTYFQU-LBPRGKRZSA-N 331.825 1.886 0 40 EDAB CCCCn1nnnc1CN1C(=O)N[C@H](Cc2ccccc2)C1=O 44870065 CDKQHNUCXVMAAQ-CYBMUJFWSA-N 328.376 1.136 0 40 EDAB O=C(CN1CCN(CCc2ccccn2)CC1)NCc1ccccc1 44869286 JIRDXKPGDYXHQC-UHFFFAOYSA-N 338.455 1.558 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)c1cn2cccnc2n1 58210439 SJAKLSIVESWAJQ-SNVBAGLBSA-N 341.293 1.012 0 40 EDAB Cn1ccnc1CCNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 58218076 MGSLKDKVZVXCSO-UHFFFAOYSA-N 341.346 1.078 0 40 EDAB O=C1CN(c2ccccc2)C(=O)N1Cc1nnnn1Cc1ccccc1 44978307 SOFNMIKUTSNDQL-UHFFFAOYSA-N 348.366 1.690 0 40 EDAB CN1CCN(c2cc(CNC(=O)Cc3cccs3)ccn2)CC1 48274156 XJEWMILXZNZPNA-UHFFFAOYSA-N 330.457 1.754 0 40 EDAB CCCn1cc(NS(=O)(=O)c2ccc(C(=O)NC)cc2)ccc1=O 58342735 KVBBJDIFXKORLY-UHFFFAOYSA-N 349.412 1.419 0 40 EDAB CCOc1ncccc1CNS(=O)(=O)c1ncn(C)c1Cl 28041704 OTPKYMWJQXKZEG-UHFFFAOYSA-N 330.797 1.346 0 40 EDAB NS(=O)(=O)N1CCN(CCOc2cccc3ccccc23)CC1 58440365 XQSHUMAHMWZPQM-UHFFFAOYSA-N 335.429 1.040 0 40 EDAB Cc1c(C(=O)N[C@H](C)c2cccnc2)cnn1[C@@H]1CCS(=O)(=O)C1 58405971 QQQANKHSFXJCIX-BXUZGUMPSA-N 348.428 1.437 0 40 EDAB COc1ncccc1CNC(=O)NCCCN1CCCCCC1=O 45114078 VQPRTKMTIONYCS-UHFFFAOYSA-N 334.420 1.682 0 40 EDAB CN(Cc1ccccc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12783378 YNBXSYXKYQNDNY-UHFFFAOYSA-N 337.379 1.739 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccccc1OC 28276364 GAGCUVWAXZATAX-AWEZNQCLSA-N 340.445 1.516 0 40 EDAB Cc1ccc(C[C@@H](CNC(=O)Cc2c(C)nn(C)c2C)C(=O)O)cc1 95425423 SBEJCYAUUCGXIZ-INIZCTEOSA-N 343.427 1.948 0 40 EDAB CCOc1ccc([C@@H](C)NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 102354033 ANTCXSHKLKSCLR-AFJPYQPYSA-N 331.368 1.917 0 40 EDAB NC(=O)CN1CCCN(C(=O)CCc2c[nH]c3ccccc23)CC1 48387005 SMDIETWWKZKXSM-UHFFFAOYSA-N 328.416 1.120 0 40 EDAB CC[C@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 11403033 MKFNFFGMBZGKEM-CYBMUJFWSA-N 339.399 1.440 0 40 EDAB COc1cccc([C@@H](CNC(=O)[C@H](C)n2cncn2)N2CCCC2)c1 45872386 CNSHQIUGEXNCDP-WMLDXEAASA-N 343.431 1.801 0 40 EDAB O=C(C1=NO[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12)c1ccccc1 100354752 KWDINHNINGTWLA-BBRMVZONSA-N 338.294 1.953 0 40 EDAB C[C@@H]1CCCN([C@H](C)CNC(=O)CNC(=O)c2ccc(F)cc2)C1 60645298 FWZGZLZAIYVJRE-ZIAGYGMSSA-N 335.423 1.792 0 40 EDAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)Cn2cnnn2)C1 46980486 VGISZOWSDWODSV-CQSZACIVSA-N 328.420 1.221 0 40 EDAB COc1ccc2c(ccn2CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)c1 12324184 BXTDJTKYBGFAKR-CYBMUJFWSA-N 334.397 1.467 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C)s2)s1 48438850 DREJKVMMUZOHMF-UHFFFAOYSA-N 330.456 1.956 0 40 EDAB Cc1nc(C(C)C)oc1C(=O)NS(=O)(=O)C[C@@H]1CCCCO1 408487162 KYRRVVPKXPKUOA-NSHDSACASA-N 330.406 1.735 0 40 EDAB O=S(=O)(c1c(F)cccc1Br)N(CCO)C1CC1 95432930 SLZHNDXSPIXPHB-UHFFFAOYSA-N 338.198 1.734 0 40 EDAB Cc1nnc(S/C(=C\c2ccc(OCC(=O)O)cc2)C(=O)O)[nH]1 9350859 RINBRYGPPUSWNS-WDZFZDKYSA-N 335.341 1.794 0 40 EDAB CCCc1ccc(N2C[C@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 65422319 NIJGHLMOSIXFEY-CYBMUJFWSA-N 331.416 1.372 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNC1CCN(c2ncccn2)CC1 65474461 HCDSLBHBPUWMDP-UHFFFAOYSA-N 329.452 1.343 0 40 EDAB NS(=O)(=O)N1CCc2ccc(NC(=O)c3cccc(F)c3)cc21 65538929 ZAKNWVKNKFOGDI-UHFFFAOYSA-N 335.360 1.644 0 40 EDAB CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N1CC[C@H](C(N)=O)C1 65533066 KUZVWJNRKSETFC-IINYFYTJSA-N 326.343 1.702 0 40 EDAB CCn1nnc2cc(C(=O)N[C@H]3CCc4nnc(C)n4C3)ccc21 65588865 QYYLXNFSOSIGRS-LBPRGKRZSA-N 325.376 1.096 0 40 EDAB CN1CCc2ncnc(N3CCN(Cc4cccs4)CC3)c2C1 65535309 CSTUQEQAAYPJSC-UHFFFAOYSA-N 329.473 1.848 0 40 EDAB COCCOCCC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 65611665 HBWWKJRPRFSOKU-MRXNPFEDSA-N 334.416 1.046 0 40 EDAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(O)nc1 14255369 QSRFCLKONDFLAJ-UHFFFAOYSA-N 337.261 1.779 0 40 EDAB COc1cc(OC)cc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 14254515 KZLMHVBQCCIPQV-KRWDZBQOSA-N 336.432 1.790 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3F)cnc21 14266275 RNGHHDVJGUMFSJ-UHFFFAOYSA-N 335.726 1.561 0 40 EDAB C[C@@H](COc1ccc(F)cc1)NC1CCN(S(C)(=O)=O)CC1 95420702 CWQRRZZJIOYWDS-LBPRGKRZSA-N 330.425 1.607 0 40 EDAB COc1ccc(NC(=O)C(=O)NCc2nnc3ccccn23)c(C)c1 66206951 FVJCJQCDPBYTDA-UHFFFAOYSA-N 339.355 1.301 0 40 EDAB COc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 66484620 MRBUMGMIKRBCCM-QGZVFWFLSA-N 346.427 1.478 0 40 EDAB CCn1cnnc1CNC(=O)N1CCC(Cc2cccnc2)CC1 95457422 OYGBDIAMXLPNGP-UHFFFAOYSA-N 328.420 1.857 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2cccc(OCC(N)=O)c2)cn1 71796803 QBSDVTIGRCIZFL-HNNXBMFYSA-N 328.372 1.262 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(c2ccccc2)CC1 71795975 WXUJZVLMHGVIKS-QAPCUYQASA-N 343.471 1.978 0 40 EDAB CC(=O)c1ccccc1NC(=O)Cn1nnn(-c2ccccc2)c1=O 15374213 AXVJNXKLCYPLKL-UHFFFAOYSA-N 337.339 1.270 0 40 EDAB Cc1noc(C2CCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)CC2)n1 67928939 AUWGDMGPJCVOJP-AWEZNQCLSA-N 332.404 1.485 0 40 EDAB CCCNC(=O)NC(=O)CN(C)C[C@@H]1CN(CC)c2ccccc2O1 16423574 TWSPKIORGBNDFG-CQSZACIVSA-N 348.447 1.442 0 40 EDAB C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1ccccc1 16410805 YKBWHMXRDRLOET-YPMHNXCESA-N 333.417 1.971 0 40 EDAB Cc1ccc([C@@H]2C[C@H]2C(=O)NCC2(C(N)=O)CCOCC2)cc1C 71836374 IPYOKXZFBCPYCD-JKSUJKDBSA-N 330.428 1.805 0 40 EDAB C[C@@H]1Oc2ccc(NC(=O)CNC(=O)c3ccco3)cc2NC1=O 8014393 NZYLHZKBBDXUOG-VIFPVBQESA-N 329.312 1.368 0 40 EDAB C[C@@H](CC(=O)N1CCN(CCN2C(=O)CCC2=O)CC1)C(C)(C)C 71888983 NYNLBIKQJJSCJZ-AWEZNQCLSA-N 337.464 1.352 0 40 EDAB O=C(Cc1csc(-c2ncccn2)n1)N1CCN2CCCC[C@H]2C1 71839733 FXROBLVEQJRQHF-AWEZNQCLSA-N 343.456 1.839 0 40 EDAB Cc1cc2n(n1)C[C@H](CNCCCS(=O)(=O)c1ccccc1)CN2 71888690 KXSBVROAFKYKNG-OAHLLOKOSA-N 348.472 1.687 0 40 EDAB Cc1c(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)nnn1-c1ccc(F)cc1 71829626 YEVCLXFBQBRZRJ-JQWIXIFHSA-N 345.378 1.441 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCN(C[C@H](C)O)CC1 71877397 IEPVXCOAMBJEMC-JYJNAYRXSA-N 349.475 1.259 0 40 EDAB CC[C@@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1C[C@@H](C)O 71864645 KPAXHFYQWYNUNS-HZPDHXFCSA-N 340.489 1.237 0 40 EDAB CS(=O)(=O)c1ccc(OCCNc2ncnc3[nH]cnc23)cc1 69532961 SMNHMKGBXVAXBO-UHFFFAOYSA-N 333.373 1.247 0 40 EDAB C[C@@H]1CCCCN1C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 71927876 QHJFYSZSTFMIDB-CYBMUJFWSA-N 349.456 1.982 0 40 EDAB CC(C)(C)CN(CCO)C(=O)Nc1ccc(N2CCOCC2)nc1 69665509 MNRFQCKMCKNSOX-UHFFFAOYSA-N 336.436 1.791 0 40 EDAB CCc1nc(CN2CCCN(c3nn4cc(C)nc4s3)CC2)no1 69654150 KMZFYYJFPUECSH-UHFFFAOYSA-N 347.448 1.757 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)N2C[C@H](C)O[C@H](C)C2)ccc1F 69716707 VSWKDRXIPMBPIS-AOOOYVTPSA-N 334.355 1.751 0 40 EDAB CC1CCC(NS(=O)(=O)CC(=O)N2CCOCC2(C)C)CC1 69738965 DWVTWDRPEAXIQY-UHFFFAOYSA-N 332.466 1.122 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@H](C)C(=O)N(C)C 69776061 UKIMGMPAUCBUFC-LLVKDONJSA-N 326.418 1.075 0 40 EDAB CCOCCN1CCN(Cc2csc(N(C)C(C)=O)n2)CC1 69738371 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EDAB NC(=O)C1(NCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)CC1 84437021 GLEJHYDHJNXAKW-HNNXBMFYSA-N 347.415 1.700 0 40 EDAB Cc1cc(NC(=O)C(=O)NCc2coc(-c3cccs3)n2)n(C)n1 89591814 TVVGEVRGXKMZSN-UHFFFAOYSA-N 345.384 1.700 0 40 EDAB Cc1ccc(CNC(=O)CNC[C@H]2CCCN2c2cccnn2)cc1 75128842 QTXPTLRJYUHQEK-QGZVFWFLSA-N 339.443 1.660 0 40 EDAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCO[C@@H]([C@H]2CCCO2)C1 89797946 FGFUWYLANMVLQL-HZPDHXFCSA-N 344.367 1.655 0 40 EDAB CN(Cc1ncnn1C)C(=O)c1cc(N2CCCC2=O)ccc1Cl 89741160 YSARKXHLYYAVFH-UHFFFAOYSA-N 347.806 1.868 0 40 EDAB OC1COc2ccccc2OCC(O)COc2ccccc2OC1 4530560 PMNPNPVVOXZUHA-UHFFFAOYSA-N 332.352 1.637 0 40 EDAB CC(C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832219 VULCKSCGYVSMCV-LBPRGKRZSA-N 332.809 1.392 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408551862 JIBBRUHAWIAWSY-VXGBXAGGSA-N 328.434 1.585 0 40 EDAB CCCCNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 409193463 DFXOCNWCAPFMLB-UHFFFAOYSA-N 342.461 1.916 0 40 EDAB COCCN1CCN(CCC(=O)Nc2ccnn2C2CCCC2)CC1 69813301 IFEAFOPWIBNFOQ-UHFFFAOYSA-N 349.479 1.591 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)CC1 74563428 MXTTWVDVJBIWRX-GOSISDBHSA-N 329.444 1.760 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)c(=O)[nH]1 74684945 UCLAZRCELNXDGY-HNNXBMFYSA-N 325.368 1.609 0 40 EDAB COc1cc(C(=O)O)ccc1S(=O)(=O)N[C@@H](C)c1nc(C)no1 566179990 UUCWZJFHNWTZJZ-ZETCQYMHSA-N 341.345 1.124 0 40 EDAB CCC(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1 69847324 YLJBKUXEJJRDGH-LBPRGKRZSA-N 341.477 1.015 0 40 EDAB CCS(=O)(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 224277216 FADLQKGNNBMVSD-UHFFFAOYSA-N 347.444 1.565 0 40 EDAB Cc1cccc(OCc2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)nn2)c1 227160580 XSKPWJVQVNJKBT-HUUCEWRRSA-N 344.415 1.801 0 40 EDAB O=C1c2cnc(N3CCOCC3)nc2CN1CCc1ccc(F)cc1 46088752 BTWAZBVZIHXLOS-UHFFFAOYSA-N 342.374 1.651 0 40 EDAB COC[C@@H]1CN(S(=O)(=O)c2ccccc2C)Cc2cn(C)nc21 96197979 OBDLKQYMHWCVQJ-AWEZNQCLSA-N 335.429 1.663 0 40 EDAB CCOC[C@H]1CN(C(=O)c2cccnc2OC)Cc2ncn(C)c21 96068630 SRFJVRGBWRKMPE-GFCCVEGCSA-N 330.388 1.600 0 40 EDAB CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1ccncc1)C2 96039774 NMKAMUPDZSGQJE-HKUYNNGSSA-N 347.459 1.558 0 40 EDAB O=C(c1csnn1)N1CCO[C@@H]2[C@@H](CNc3cccnc3)CC[C@H]21 96082610 WHFIKGWGAVNSFD-KCPJHIHWSA-N 345.428 1.665 0 40 EDAB O=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 96066142 AJLVOPJDYAIBMZ-CGTJXYLNSA-N 341.411 1.970 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 96226229 JWUHKKSOMXNVBB-LJQANCHMSA-N 338.411 1.988 0 40 EDAB Cc1cccc(CN2CCC[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)n1 96224181 YBEUDMWVBQYCER-IBGZPJMESA-N 344.459 1.293 0 40 EDAB COc1c(C(=O)NC[C@@H]2CCCO2)nnn1Cc1ccc(C)cc1 96183363 FESWELHIRHFMRI-AWEZNQCLSA-N 330.388 1.552 0 40 EDAB O=C(c1cccnc1)N1CCC2(CC1)CN(c1ncccn1)CCO2 96159038 GKEKQTWPHMNFEL-UHFFFAOYSA-N 339.399 1.383 0 40 EDAB CNC(=O)CO[C@H]1CO[C@]2(CCCN(C(=O)c3cccs3)C2)C1 96222289 GCAKOKMTHCMGRE-MLGOLLRUSA-N 338.429 1.274 0 40 EDAB c1ccc(NCc2cnc3n2CCN(C[C@@H]2CCOC2)CC3)nc1 96197122 OBLWTXJPCLQMBD-HNNXBMFYSA-N 327.432 1.785 0 40 EDAB Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3c2cnn(C)c2)n1 96186505 AWCDMZREWLOENE-HOTGVXAUSA-N 339.399 1.534 0 40 EDAB Cc1ccc(CC(=O)N2CCOC[C@]3(CC[C@@H](CN(C)C)O3)C2)cc1 96160233 HRCOIRBEOGWCBG-ICSRJNTNSA-N 346.471 1.876 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](N)[C@H]2c2ccc3c(c2)OCO3)cc1 242723056 YCKAMNPVQMGNAF-ZACQAIPSSA-N 331.393 1.991 0 40 EDAB O=C(c1cc(F)c(F)c(F)c1F)N1CCO[C@@H](Cn2ccnn2)C1 585128118 SEOGUJLEXASVAS-MRVPVSSYSA-N 344.268 1.376 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCCN32)C1 585122263 UIMKDSWVAMSXRW-IKGGRYGDSA-N 333.476 1.768 0 40 EDAB O=S(=O)(NC[C@@H]1CCCO1)c1cc(O)cc(C(F)(F)F)c1 585135239 WIKDEBXKWHSDAI-JTQLQIEISA-N 325.308 1.868 0 40 EDAB CC[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 585118622 WAAJYFGWVQGXTM-OAHLLOKOSA-N 340.445 1.323 0 40 EDAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)c2c(C)noc2n1 585130216 KNOPZVKKZCGGNX-FZMZJTMJSA-N 331.420 1.204 0 40 EDAB O=C(CCn1ccnc1)N1CCCC[C@H]1c1cc(O)n2nccc2n1 257278119 OAWWDBCVWSMYGQ-AWEZNQCLSA-N 340.387 1.775 0 40 EDAB Cn1nccc1-c1cnc(C[C@H]2CCCN(S(C)(=O)=O)C2)cn1 257273109 NFHZAWVITCCKFH-GFCCVEGCSA-N 335.433 1.091 0 40 EDAB CN(C)c1cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)ccn1 257234515 GTVUNKIYPVBZOM-CYBMUJFWSA-N 335.433 1.407 0 40 EDAB Cc1c(CCC(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)cnn1C 257220638 DLOCMSAFVWCDAA-ZHALLVOQSA-N 343.427 1.748 0 40 EDAB COc1ccc([C@@H](NC(=O)c2cnc(C)nc2C)C(=O)O)cc1F 263066942 OXPAIGCJEIDNCM-CQSZACIVSA-N 333.319 1.797 0 40 EDAB CC(C)c1[nH]ccc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 285486703 MAJIIOPPMOOSHK-UHFFFAOYSA-N 339.403 1.538 0 40 EDAB Cc1cccc(C(=O)N2Cc3cncn3[C@@H](C(=O)NCC3CC3)C2)c1 585095910 UGOCOCDLYVNACA-QGZVFWFLSA-N 338.411 1.915 0 40 EDAB CO[C@@H]1CCN(CC(=O)Nc2nonc2C)C[C@H]1Cc1ccccc1 585277065 RTDWNVUFXIYCGX-HZPDHXFCSA-N 344.415 1.896 0 40 EDAB CN1C[C@H](COc2cccnc2)CC12CN(C(=O)c1cnccn1)C2 585093749 BXKVFBYQERRZTD-CQSZACIVSA-N 339.399 1.097 0 40 EDAB C[C@H](C(=O)NC(=O)NC1CC1)N(C)CCCOc1ccc(F)cc1 30268528 JFSXNDMVSDZJBQ-GFCCVEGCSA-N 337.395 1.903 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)N1CCOCC1)c1ccccc1Cl 44896192 OYAMQISZSZMOHG-AWEZNQCLSA-N 347.868 1.109 0 40 EDAB Cc1ccc2nc(COc3ccc(S(C)(=O)=O)cc3)cc(=O)n2c1 55148653 OEQKUSXFMPHGGS-UHFFFAOYSA-N 344.392 1.985 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H]3CSc4ccccc43)CCO2)n1 76045376 ONDAPKVEDMOZTJ-QWHCGFSZSA-N 330.413 1.903 0 40 EDAB O=C1O[C@H](C(=O)N2CCC(c3nc[nH]n3)CC2)Cc2ccccc21 82978747 XRXIAFYAXGPYGE-AWEZNQCLSA-N 326.356 1.292 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NCC(=O)OC(C)(C)C)cn2)n1 78735653 NFIZFGIXTLNPPC-UHFFFAOYSA-N 330.388 1.956 0 40 EDAB CNC(=O)NCC(=O)NC[C@H](C)Oc1ccccc1Br 89574173 UZBSKOUQWYIYBR-VIFPVBQESA-N 344.209 1.262 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCc1ccccc1 100099511 ANJJLBOJTARJGB-IYBDPMFKSA-N 326.396 1.687 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](c2ccn(C)n2)C1 585389688 JYYXRVJDGCEWCR-ZDUSSCGKSA-N 337.449 1.339 0 40 EDAB CCOc1ccc(CN2CC[C@@H](OC)[C@H](CC(N)=O)C2)cc1CO 1615142432 KXNQGUBIGDSVLT-GDBMZVCRSA-N 336.432 1.290 0 40 EDAB NC(=O)c1ccnc2c1ccn2[C@@H]1CN(C2CCCCC2)C[C@H]1O 1615191839 QIDVMJBSLOJMCV-HZPDHXFCSA-N 328.416 1.686 0 40 EDAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3cnccn3)n2)cc1 5321124 FUWHKIPBKNQEOY-UHFFFAOYSA-N 337.343 1.653 0 40 EDAB CN1C[C@H](C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)CC1=O 12086968 XNEFYEFZTCRWQH-UKRRQHHQSA-N 344.411 1.654 0 40 EDAB COc1ccc(OC)c(CC(=O)N2CCn3c(nnc3C3CC3)C2)c1 12158732 YTADQLDTIMZKMZ-UHFFFAOYSA-N 342.399 1.758 0 40 EDAB COc1ccc(NC(=O)C[C@H]2CSc3nccc(=O)n32)cc1OC 12236253 PRWBVJAYCFULQC-NSHDSACASA-N 347.396 1.936 0 40 EDAB CCCc1cc(O)nc(SCC(=O)N2[C@@H](C)COC[C@@H]2C)n1 19015698 ARFYBKFIUQZGAC-QWRGUYRKSA-N 325.434 1.863 0 40 EDAB O=C(N[C@@H]1C[C@H]2Oc3ccccc3N[C@H]2[C@@H]1O)c1ccccc1F 1848354758 KJXQGCOXOVNUMK-MWQQHZPXSA-N 328.343 1.930 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1C(=O)NC1CC1 7054393 WMNOMTGOFFXUBN-UHFFFAOYSA-N 335.385 1.984 0 40 EDAB O=C(Cn1cnc(C2CC2)cc1=O)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1888860544 XQBVTODQEAIIRX-HUUCEWRRSA-N 342.443 1.063 0 40 EDAB c1nc(N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)c2nc[nH]c2n1 1888888311 DWYBDPGSANZGQQ-LLVKDONJSA-N 337.387 1.926 0 40 EDAB CS(=O)(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1 1889186639 LQDIVZSOSOVVPZ-UHFFFAOYSA-N 325.821 1.970 0 40 EDAB CN(C)CC(C)(C)CNc1ccc(S(=O)(=O)N2CCCC2)cn1 23409229 MVFMOPJPCAIWSF-UHFFFAOYSA-N 340.493 1.866 0 40 EDAB CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)NC1 23640451 NTXFQKQDTYGVSN-UHFFFAOYSA-N 341.411 1.906 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2cccnc2N2CCCC2)no1 23701566 GUQGRTNOPOPSJJ-UHFFFAOYSA-N 330.344 1.774 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1cc(-c2ccc(F)cc2)[nH]n1 25091590 LFYBWOQJUILSRQ-UHFFFAOYSA-N 326.335 1.684 0 40 EDAB CCCOc1ccccc1CN1CCO[C@]2(COCC(=O)N(C)C2)C1 2037984355 YHFBOZHGLKYGRO-IBGZPJMESA-N 348.443 1.535 0 40 EDAB Cc1cnc(C)c(OC2CCN(CC(=O)N3CCCCC3)CC2)n1 2086934478 WDFVQRMONLKSTG-UHFFFAOYSA-N 332.448 1.949 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)c4csnn4)C[C@H]3C2)cs1 1565542504 JBUNHTCCIYMWII-GHMZBOCLSA-N 335.458 1.507 0 40 EDAB CCOC(=O)c1nnn(-c2nonc2N)c1CNc1ccc(F)cc1 98768 KLXQSENKPWKREO-UHFFFAOYSA-N 347.310 1.160 0 40 EDAB COc1ccc(OC)c(-c2nnc(NC(=O)c3ccnn3C)o2)c1 11695092 VTWUYNPQACUALA-UHFFFAOYSA-N 329.316 1.740 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@@H](c2ccc(O)cc2)N1 11665636 QYOKHZWYEXEWIJ-IUODEOHRSA-N 329.356 1.021 0 40 EDAB CN1CCN(C(=O)c2cccc(-n3cnnn3)c2)[C@H](c2ccccc2)C1 30029525 QIOBMXGUELAYMC-SFHVURJKSA-N 348.410 1.791 0 40 EDAB O=C(NCc1nnc2n1CCC2)[C@@H]1COc2ccc(Cl)cc2C1 40486259 QQROVJUGQCLEBJ-NSHDSACASA-N 332.791 1.745 0 40 EDAB CCCOC(=O)c1cccc(NC(=O)CSc2cn[nH]c(=O)n2)c1 31773578 SSBBGNUGMJDZGA-UHFFFAOYSA-N 348.384 1.463 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c1 51161339 QUGWEIHFVDKXGV-GFCCVEGCSA-N 340.420 1.813 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCCN(C[C@@H]2CCCO2)CC1 40505232 MILGJBLQJMOYKM-HNNXBMFYSA-N 332.400 1.742 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)N1CCO[C@@H]2CCCC[C@H]21 40553883 QGQIBTLYHFUGCV-HZPDHXFCSA-N 327.384 1.567 0 40 EDAB CC1CCN(c2ccc(CNC(=O)[C@H](C)S(C)(=O)=O)cn2)CC1 40541509 VEDLOKMWWIHOMX-ZDUSSCGKSA-N 339.461 1.367 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)NCCCOC[C@H]2CCCO2)c1 32407838 QCPYVJBLAAUXMN-CYBMUJFWSA-N 331.409 1.998 0 40 EDAB O=C(/C=c1/[nH]c(=O)/c(=C/c2c(F)cccc2F)s1)c1ccncc1 103018495 MJLFIUBNCYUDAO-SRKDFGFSSA-N 344.342 1.602 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N(CC(N)=O)C1CCCC1 42092765 UIYDYFSYSUZTDV-UHFFFAOYSA-N 334.464 1.955 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)C[C@@H]1C(=O)Nc3ccccc31)CC2 104158759 YGCPCEBXLVNPCP-YPMHNXCESA-N 339.399 1.398 0 40 EDAB Cc1csc(=O)n1CCC(=O)Nc1ccc(N2CCOCC2)nc1 22995082 BWYIRHLCKRBPFZ-UHFFFAOYSA-N 348.428 1.479 0 40 EDAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCCC2)cc1 814454 ULHQGGHWTBOVKI-CQSZACIVSA-N 336.413 1.297 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(CN2CCOCC2)CC1 47318242 NQARCUQLZDSSSN-UHFFFAOYSA-N 347.415 1.991 0 40 EDAB CCOC(=O)c1nn(-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1O 91729 QNYMTKQSRCUYJX-UHFFFAOYSA-N 342.355 1.552 0 40 EDAB CCOC(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 148669 QXYXOGZOVNYEQF-UHFFFAOYSA-N 338.385 1.895 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)[C@@H]2COc3ccccc32)cc1 78680773 XEHBENLCRSGKGT-MRXNPFEDSA-N 340.379 1.604 0 40 EDAB O=C(Nc1nnc(SCC(=O)N2CCCC2)s1)C1CCC1 1381536 GFGDSHCTZYWYLG-UHFFFAOYSA-N 326.447 1.991 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 78966536 BFAUSACGBFMEPL-KGLIPLIRSA-N 344.864 1.984 0 40 EDAB CCOC(=O)[C@H]1Cc2c([nH]c(=O)[nH]c2=O)O[C@]1(C)c1ccccc1 1575188 SAIYLRKUDSGUIQ-SJKOYZFVSA-N 330.340 1.093 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1CN1CCC[C@@H](C(F)(F)F)C1 23841812 KYXXKZPJJSACOW-BXKDBHETSA-N 337.367 1.646 0 40 EDAB CCOC(=O)[C@H]1C(=O)Nc2nc(N)nc(O)c2[C@@H]1c1ccccc1 4945502 VIFQPTFOAGUUAQ-GXSJLCMTSA-N 328.328 1.028 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 103322690 VGSQJDMHUSYELY-MQAIEQDTSA-N 338.404 1.097 0 40 EDAB CCn1c(CNC(=O)CCSc2nnnn2C)nc2ccccc21 56174841 BXKREKZVKXHNCV-UHFFFAOYSA-N 345.432 1.378 0 40 EDAB CC[C@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C[C@H]1N(C)C 89948432 UHJVZRXJWJBBHS-SUMWQHHRSA-N 345.443 1.749 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)cc1 8057737 VZNOFAUVYZAZJU-UHFFFAOYSA-N 328.434 1.621 0 40 EDAB O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1cc(F)ccc1F 8212990 ZGKMWCXWEAGNBD-UHFFFAOYSA-N 326.328 1.915 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)CN3CCOCC3)cn2)n1 48236259 RUGJUKKVKSRTBY-AWEZNQCLSA-N 343.431 1.335 0 40 EDAB C[C@@H](SCc1ccccc1)C(=O)N1CCN(S(C)(=O)=O)CC1 48293276 QBSPPTMTLFTUIC-CYBMUJFWSA-N 342.486 1.412 0 40 EDAB COc1c([C@H]2CCCN2CCCS(=O)(=O)N(C)C)c(C)nn1C 75605413 TWMPZIGSDAZOHJ-CYBMUJFWSA-N 344.481 1.156 0 40 EDAB Cc1cnc(CN2C(=O)[C@H]3CN(Cc4ccccc4)C[C@@H]3C2=O)o1 104380588 UPKWOZQLNXDUFA-GJZGRUSLSA-N 325.368 1.600 0 40 EDAB Cc1cccc2c(CCNC(=O)N[C@H]3CCC(=O)N(C)C3)c[nH]c12 76087200 DBTQLTMYSIGNDP-AWEZNQCLSA-N 328.416 1.939 0 40 EDAB CS(=O)(=O)N1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1 108529094 ZIIZKLGUBLRJKQ-YPMHNXCESA-N 336.404 1.352 0 40 EDAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)NCc1ccccc1 10198337 UNUFJCYRPNWKAL-UHFFFAOYSA-N 343.774 1.399 0 40 EDAB Cc1c([C@H](C)NC(=O)CNC(=O)C2CC2)cnn1-c1ccccc1 58246928 QUVSYZHLBSHNAH-LBPRGKRZSA-N 326.400 1.884 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)C2CCOCC2)c1 58245904 CBSMAWOKURUUMW-UHFFFAOYSA-N 340.445 1.125 0 40 EDAB CCn1c(=O)[nH]c2cc(C(=O)Nc3c(C)noc3C)ccc2c1=O 58214236 BAIHTNMAZUUIIR-UHFFFAOYSA-N 328.328 1.567 0 40 EDAB O=C(CNC(=O)[C@@H]1CC=CCC1)Nc1cccc2c(=O)[nH]nc(O)c12 58249926 MLDXMNACOVLHAC-SNVBAGLBSA-N 342.355 1.040 0 40 EDAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCc1cccc(F)c1 44967046 VZFPEYUULAXCMK-UHFFFAOYSA-N 340.376 1.655 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(Cc2ccncc2)CC1 44973757 RSLGHTSNSQGSPF-CQSZACIVSA-N 342.399 1.137 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)nc(C(C)C)n1 44910942 TYWQTGUHIZXCIJ-CQSZACIVSA-N 343.435 1.410 0 40 EDAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc3c(c1)OCO3)CS2 23679914 QNOPYVJEHAYQAJ-BZNIZROVSA-N 334.397 1.486 0 40 EDAB CCn1c(S(=O)(=O)Cc2nnnn2C2CC2)nc2ccccc21 44973353 YYSRGQRVHWIYLM-UHFFFAOYSA-N 332.389 1.352 0 40 EDAB COC(=O)c1ccc(NC[C@@H](c2ccc(C)o2)N2CCOCC2)nn1 58357819 YUTRTOXIDPWSFL-AWEZNQCLSA-N 346.387 1.650 0 40 EDAB O=C(CCN1C(=O)CCC1=O)NCC1(c2ccc(F)cc2)CCC1 58324874 FBUSDDPTWMYZPT-UHFFFAOYSA-N 332.375 1.903 0 40 EDAB Cc1ccc(-c2nc(CCNC(=O)CN3CSCC3=O)co2)cc1 58331158 VPBRYQDLMDZTFZ-UHFFFAOYSA-N 345.424 1.842 0 40 EDAB Cc1c(C(=O)N[C@@H](C)c2ccncc2)cnn1[C@H]1CCS(=O)(=O)C1 58405947 FCQVSVZQXRRTNV-FZMZJTMJSA-N 348.428 1.437 0 40 EDAB Fc1ccc(N2CCN(Cc3nnnn3C[C@H]3CCCO3)CC2)cc1 20140609 KYDWBSSJLPUDIH-MRXNPFEDSA-N 346.410 1.313 0 40 EDAB Cn1ccc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)cc1=O 56468314 FIEBRTNPNCOSFO-UHFFFAOYSA-N 345.424 1.481 0 40 EDAB CNC(=O)NC(=O)COC(=O)/C=C/c1cccc(Br)c1 3414240 VXAUQKXGQHBXIH-AATRIKPKSA-N 341.161 1.461 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)cc12 29788176 STVQCXVZFWQQCU-GFCCVEGCSA-N 329.404 1.720 0 40 EDAB COCCN1CCO[C@H]2CCN(Cc3cncc(Cl)c3)C[C@@H]21 108525958 UGHIFWQLBFQNMP-HOTGVXAUSA-N 325.840 1.657 0 40 EDAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCCNc1ncccn1 47057342 YAQJQMGZKLEPJC-ZDUSSCGKSA-N 343.387 1.370 0 40 EDAB NC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1 47270220 PKHVDRHPSWBHIF-GFCCVEGCSA-N 334.376 1.005 0 40 EDAB CCC[C@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 4064681 BURPPJJGQCWDGP-ZDUSSCGKSA-N 333.340 1.719 0 40 EDAB biogenic COC(=O)c1nnn(CC(=O)c2ccc(Cl)cc2)c1C(=O)OC 71328519 YDJTUXZAFXCDHX-UHFFFAOYSA-N 337.719 1.388 0 40 EDAB O=C(N[C@H]1CCc2[nH]ncc2C1)N[C@@H]1CC(=O)N(c2ccccc2)C1 95421774 FNOQVPPRMRSCNZ-UONOGXRCSA-N 339.399 1.372 0 40 EDAB OCCN1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 65234144 YXLATFRZONWCSH-UHFFFAOYSA-N 344.434 1.610 0 40 EDAB C[C@H](NC(=O)NCCCOCc1ccco1)C(=O)NCc1ccco1 65592837 QRTWZZJIUBQSIX-ZDUSSCGKSA-N 349.387 1.783 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccccc2)C1=O 65562428 ATZNSISDOMZKRX-JKSUJKDBSA-N 337.379 1.246 0 40 EDAB CCNC(=O)NC[C@@H]1CC[C@]2(COCCN(C3CCCC3)C2)O1 306140608 UYUFYXLZEQVKLE-RDJZCZTQSA-N 325.453 1.498 0 40 EDAB Cc1nc(S(=O)(=O)NCC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)cn1C 66101647 BGWXIIYZSKPSEO-BETUJISGSA-N 342.509 1.763 0 40 EDAB COC(=O)c1cc(NC(=O)COC(=O)C2CCC2)cc(C(=O)OC)c1 6639275 IQIOXQRMFRUYLY-UHFFFAOYSA-N 349.339 1.542 0 40 EDAB O=S(=O)(Cc1nc(-c2ccco2)no1)C[C@H](O)c1ccccc1 66499465 PBYNUEPUJOXUOU-LBPRGKRZSA-N 334.353 1.978 0 40 EDAB CC[C@@H](C)[C@H](NS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)OC 7246946 PRTKVBPDLNUVHN-YGRLFVJLSA-N 327.402 1.755 0 40 EDAB Cc1cccc(CS(=O)(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1 95457690 ZMACVTDBDZVUEI-HZPDHXFCSA-N 325.430 1.753 0 40 EDAB O=C(O)c1[nH]ncc1CN1CCc2[nH]cnc2[C@H]1c1cccc(O)c1 67787296 DNWCGYMSNPGXGX-MRXNPFEDSA-N 339.355 1.684 0 40 EDAB CCOC(=O)C1=C(CSc2cccc[n+]2[O-])NC(=O)N[C@H]1CC 7507448 CSLCTSFSCNXEAD-JTQLQIEISA-N 337.401 1.321 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 16400929 YINBGGCMYSGWGO-INIZCTEOSA-N 331.303 1.824 0 40 EDAB C[S@](=O)CCNC(=O)[C@@H]1COc2ccc(Br)cc21 95442834 SSOQZZWFKDJROA-MLCYQJTMSA-N 332.219 1.420 0 40 EDAB O=C(Cc1ccc2c(c1)OCC2)N1CCN(C(=O)c2ccco2)CC1 95473065 RPAISOKNZHABGM-UHFFFAOYSA-N 340.379 1.742 0 40 EDAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1ccc(C(F)(F)F)cc1 8280487 ANCUQCNDQJALKW-UHFFFAOYSA-N 327.262 1.584 0 40 EDAB C[C@H]1CCCN(CCCNC(=O)c2nn(C)c3ccccc3c2=O)C1 71897873 FESFUZZQDKZCDI-AWEZNQCLSA-N 342.443 1.785 0 40 EDAB Cc1nc(COc2ccc(CN[C@@H]3CCS(=O)(=O)C3)cc2)no1 71828150 WUIUJPZTZFMYRH-CYBMUJFWSA-N 337.401 1.234 0 40 EDAB O=C(CCNc1ncccn1)NCCNC(=O)CC1CCCCC1 69348928 KYHHJCRMXNUHEZ-UHFFFAOYSA-N 333.436 1.481 0 40 EDAB Cc1cc2nc(N3CCCN(CCO)CC3)c3ccccc3n2n1 69374607 UYUIGHKNELXWLG-UHFFFAOYSA-N 325.416 1.695 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCC[C@H]2Cn2cc(C)cn2)cs1 71869800 KNDJMWQDYMQJKZ-LBPRGKRZSA-N 333.417 1.911 0 40 EDAB Cc1nc2ccnn2c(C)c1CCC(=O)N1CCN2CCCC[C@H]2C1 71839726 FCPKAMQVSQEEHY-INIZCTEOSA-N 341.459 1.975 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2CC(=O)NCc2ccccn2)c1 71875384 NHKWUNFABQXZRI-QGZVFWFLSA-N 327.432 1.757 0 40 EDAB O=C(Cc1cnn(-c2ccccc2)n1)N1CCC[C@@H](n2cccn2)C1 69418222 YIEKIPGEXSSDIK-QGZVFWFLSA-N 336.399 1.870 0 40 EDAB CS(=O)(=O)NCCNC(=O)[C@H](OC1CCCC1)c1ccccc1 69415426 HXEVFJXKOPYYLT-OAHLLOKOSA-N 340.445 1.352 0 40 EDAB Cc1cc(NC(=O)CSc2nnnn2C)ccc1N1CCCC1 8486810 LRILENMWNQKLLP-UHFFFAOYSA-N 332.433 1.850 0 40 EDAB CN(C)C1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 71824112 KHTCRIUABWWAEX-UHFFFAOYSA-N 332.379 1.088 0 40 EDAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCCn2ncnc21 71826672 YWSYMCOXTLTSDD-UHFFFAOYSA-N 334.763 1.682 0 40 EDAB Cn1ccc(C(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)cc1=O 69513202 FEYWBQGHMLTXMJ-UHFFFAOYSA-N 348.366 1.530 0 40 EDAB CNC(=O)COc1ccccc1CNCC[S@](=O)c1ccccc1 69633021 XXWURVRKTPRLCN-XMMPIXPASA-N 346.452 1.709 0 40 EDAB CC(C)c1noc([C@H](C)N2CCN(C[C@H](O)Cn3cccn3)CC2)n1 69630463 OXCXONKWCBMCKP-GJZGRUSLSA-N 348.451 1.129 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)N1CCC[C@@H](N2CCCC2)C1 69741394 UKZDOPXZWMACHF-CQSZACIVSA-N 340.468 1.781 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)N1CCC[C@H]1c1ccsc1 69742512 MZBSGQHSAUOFFT-KGLIPLIRSA-N 331.445 1.608 0 40 EDAB CCOCC1CCN(C(=O)Cn2cnc3c(C)cccc3c2=O)CC1 69737409 QPEMKQVJXGJGTO-UHFFFAOYSA-N 343.427 1.980 0 40 EDAB Cc1nc(SCC(=O)NC[C@@H]2CCCO2)c(C(N)=O)c(C)c1C 8705326 QPDDVCOOGPHEJT-LBPRGKRZSA-N 337.445 1.493 0 40 EDAB CC(C)Cn1cc(C(=O)NCC2(N3CCOCC3)CCCC2)cn1 97081726 XRUIMXQCCHCYBI-UHFFFAOYSA-N 334.464 1.914 0 40 EDAB CCn1c(SCCC(=O)NC(N)=O)nnc1-c1cccc(C)c1 97002154 OKYBEBTVUMMSPU-UHFFFAOYSA-N 333.417 1.951 0 40 EDAB CCN1C[C@@H](C(=O)N2CCCC[C@@H]2Cn2nc(C)cc2C)CC1=O 72279948 QYUVZDBKTXUYDT-JKSUJKDBSA-N 332.448 1.749 0 40 EDAB Cc1ccc(N2CCCN(C(=O)c3ccc4nncn4c3)CC2)nn1 72279594 JJKMGZLMIJNXRT-UHFFFAOYSA-N 337.387 1.180 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)NC[C@H](C)CN2CCCC2)cc1 72270544 FQCQDVLBPQYQKE-VSGCLNPGSA-N 329.444 1.908 0 40 EDAB Cc1cc(C)n(CCC(=O)N2CCCN(Cc3nccn3C)CC2)n1 72279611 RHBIGXMKGKUZKM-UHFFFAOYSA-N 344.463 1.358 0 40 EDAB O=C(CCNC(=O)N[C@H]1CCN(C2CCCC2)C1)NC1CCCC1 72270159 NCKYHAPQOUPHDM-HNNXBMFYSA-N 336.480 1.751 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)n1 72235354 PGOITJAZYVHXLE-CQSZACIVSA-N 339.403 1.503 0 40 EDAB CN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)[C@H]1CCS(=O)(=O)C1 75117522 XJCDPQMMEQJAKK-ZDUSSCGKSA-N 346.408 1.301 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)c1ccc(C)[nH]c1=O)N(C)C 75118541 PYOBTKPNXHPTTH-OAHLLOKOSA-N 329.400 1.725 0 40 EDAB Cc1c(CCNS(=O)(=O)Cc2noc3ccccc23)cnn1C 95940448 PSEZMTTXQYTARV-UHFFFAOYSA-N 334.401 1.532 0 40 EDAB O=C(CCN1C(=O)COc2ccccc21)NC1(C(=O)O)CCCCC1 95348431 JIZCOGJYKVNFRK-UHFFFAOYSA-N 346.383 1.706 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(C[C@@H]2CCCCO2)C1 89741298 KWGWAHMAMVIPJF-CVEARBPZSA-N 333.480 1.768 0 40 EDAB O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1cc(F)c(F)c(F)c1 89830163 JNGSAQHEWDPPCI-LLVKDONJSA-N 345.342 1.986 0 40 EDAB COC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 408591712 JDUKFIXEEQSNPF-CYBMUJFWSA-N 342.461 1.457 0 40 EDAB O=C(N[C@@H]1CCC[C@H]1C(=O)O)c1cnc(CC2CCNCC2)s1 1553256900 YHAZUHNKIOOACE-VXGBXAGGSA-N 337.445 1.668 0 40 EDAB COc1cccc(C(=O)NCCNC(=O)NCCc2ccccc2)c1 31033726 NNLALLFXDNPHBC-UHFFFAOYSA-N 341.411 1.967 0 40 EDAB CC(C)c1cc(C(=O)NCC(C)(C)N2CCS(=O)CC2)n[nH]1 79310557 ZIMPJZJZOLUKLJ-UHFFFAOYSA-N 326.466 1.106 0 40 EDAB CC(C)[C@H](CNC(=O)CCc1ccc2c(c1)OCO2)N1CCOCC1 36758191 AFIBIVMBLKKDNV-INIZCTEOSA-N 348.443 1.821 0 40 EDAB Cc1cccc(N2CN(CCO)Cn3c2nc(C)c(C)c3=O)c1C 38830148 USJAAQOQKFSKTL-UHFFFAOYSA-N 328.416 1.838 0 40 EDAB CC[C@@H](C)NC(=O)c1ccn(Cn2cc(Br)cn2)n1 32611018 KKGMLTPWHYRJBG-SECBINFHSA-N 326.198 1.876 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(CC(=O)N2CCOc3ccccc32)CC1 69892716 BACGIRJJZJNTJY-CABCVRRESA-N 343.427 1.212 0 40 EDAB CCC[C@H](O)CNC(=O)C(=O)Nc1cc(Br)ccc1F 77764734 WXHFLDRTJGYGEP-VIFPVBQESA-N 347.184 1.804 0 40 EDAB Cc1cnc(CCNC(=O)N2CCC(C)(N3CCOCC3)CC2)nc1 527829924 COXOXJCEFAACAD-UHFFFAOYSA-N 347.463 1.224 0 40 EDAB Cc1ccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 74012251 DLYZNPMYUMPVAM-UHFFFAOYSA-N 339.438 1.877 0 40 EDAB NC(=O)Cn1cc(NC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)cn1 527984387 CVBMACWGUONOOC-LBPRGKRZSA-N 336.298 1.407 0 40 EDAB CC[C@@H](C)NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 225456894 YMVPJVLQEOAFRA-GFCCVEGCSA-N 342.461 1.793 0 40 EDAB CCn1nc(C)cc1C(=O)N1CCOC[C@H](Oc2cccnc2)C1 85435963 FLTJRLACQVNFBY-OAHLLOKOSA-N 330.388 1.526 0 40 EDAB biogenic,in-vitro CCN1CCN(C(=O)[C@@]2(C)Sc3ccccc3N(C)C2=O)CC1 40774690 FUUGDMBRHWZIMI-KRWDZBQOSA-N 333.457 1.678 0 40 EDAB CCc1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN(CC)CC)c2=O)cc1 222662167 OATNZIKGWJOFBO-UHFFFAOYSA-N 345.399 1.628 0 40 EDAB Cn1cc([C@@H]2NC(=O)CC[C@H]2Nc2nc3c(F)cccc3o2)cn1 570750774 WGTZCBVDUVRVAY-RISCZKNCSA-N 329.335 2.132 0 40 EDAB O=C(NCCO)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 199408093 PWYZFLZDPAWYJO-CQSZACIVSA-N 334.759 1.034 0 40 EDAB O=C1CN(C(=O)Cc2nnc(O)c3ccccc23)[C@@H]2CCCC[C@H]2N1 532343372 ZMJOQMWZCKXNNH-UKRRQHHQSA-N 340.383 1.148 0 40 EDAB COc1ccc(NC(=O)C[C@H]2Cn3nc(C)nc3NC2=O)c(OC)c1 40386697 HLUSBCTZCCTJQB-JTQLQIEISA-N 345.359 1.201 0 40 EDAB CCS(=O)(=O)c1ccc(N2CCC[C@H](c3nncn3C)C2)cc1 195576086 QIBFHSDFORYAIO-ZDUSSCGKSA-N 334.445 1.993 0 40 EDAB O=C(NC[C@@H]1CC[C@@H](O)C1)NC1CCN(CCc2ccncc2)CC1 225584217 DBQGZTFGHRBGKQ-SJLPKXTDSA-N 346.475 1.549 0 40 EDAB CCN1CCN([C@H](C)CNS(=O)(=O)c2cc(C)c(C)s2)CC1 195574142 JZUKPNDZNTUTOC-CYBMUJFWSA-N 345.534 1.669 0 40 EDAB C[C@@H](CNC(=O)NC[C@](C)(O)c1cnn(C)c1)N(C)c1ccccc1 96421602 MLJPAQPNHNDTCU-KSSFIOAISA-N 345.447 1.452 0 40 EDAB O=C(c1ccncc1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 96226517 DTMXRKSYVQFKPO-GOSISDBHSA-N 339.399 1.383 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@]3(CCN(C)C3)C2)cc1F 96201965 KWLFDKIKRZSFLK-INIZCTEOSA-N 342.436 1.477 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)Oc1c(C)nn(C)c1C 96424008 XDDJUADCLWTZPF-UHFFFAOYSA-N 328.376 1.630 0 40 EDAB CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)c3nccnc3N)[C@H]2C1 96156980 ZGQBKDQCSMCSNU-KKUMJFAQSA-N 337.383 1.105 0 40 EDAB COCC(=O)N1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 96065121 CCEPNUFHDZHHDB-FUHWJXTLSA-N 334.416 1.642 0 40 EDAB CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@@]2(CC(=O)N(C)C2)C1 97952738 QIAFADXYJREGIU-SFHVURJKSA-N 333.407 1.338 0 40 EDAB COC(=O)CCCN1CCN(c2nccc(C(F)(F)F)n2)CC1 96407741 SGRYOURKECONMH-UHFFFAOYSA-N 332.326 1.571 0 40 EDAB O=S(=O)(NCCc1ccccc1Br)[C@H]1CCOC1 96411382 YEJOGFRQANRXLI-NSHDSACASA-N 334.235 1.700 0 40 EDAB CC[C@@H]1N(Cc2cnn(C)c2)CCC[C@]12CCC(=O)N2CCOC 96052436 OSZSQLHTPVUZAT-WMZOPIPTSA-N 334.464 1.802 0 40 EDAB CC(=O)N1CCN(C(=O)CCN[C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 97233947 HIXNYMCLJYKCQJ-QRWLVFNGSA-N 343.471 1.899 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@@H]12)N1CCCCO1 96057296 IQAWDWNCUPNUIK-KURKYZTESA-N 345.443 1.720 0 40 EDAB CN(C)c1nccc(N2CCO[C@H]3CN(Cc4ccco4)C[C@H]32)n1 96248869 VMSSFEGAEMOUPX-CABCVRRESA-N 329.404 1.225 0 40 EDAB COc1cc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)on1 585130820 CSJLMTCTDHBDJE-AWEZNQCLSA-N 330.388 1.607 0 40 EDAB COc1cc(N2CC[C@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)ncn1 96200694 CXRCKPGPMUEMSI-HOTGVXAUSA-N 343.431 1.835 0 40 EDAB O=C(NCC1CC1)[C@@H]1CN(Cc2nccs2)CC12CCOCC2 96052130 KCEYDQYZJDPUOT-AWEZNQCLSA-N 335.473 1.898 0 40 EDAB CC(C)n1cnnc1[S@@](=O)CC(=O)N(C)Cc1cccs1 96461449 AMOPDZVAZLCSSL-OAQYLSRUSA-N 326.447 1.687 0 40 EDAB c1ncc(N2CCOC[C@@]3(CCCN(C[C@H]4CCOC4)C3)C2)cn1 247928468 BMMGXVROIKTCOL-SJLPKXTDSA-N 332.448 1.432 0 40 EDAB COc1ncccc1CN1Cc2cncn2[C@@H](C(=O)NC(C)C)C1 247984743 IHSZFCDZWNHQIJ-OAHLLOKOSA-N 329.404 1.368 0 40 EDAB Cc1cccc(CN2CC3(C2)OCC[C@H]3CCOCC(=O)N(C)C)n1 248046094 WKSHTQNCMKTFSV-MRXNPFEDSA-N 347.459 1.476 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3nccs3)C[C@@H]21)c1ccncc1 247430427 UMBGXWNSKQACIP-RBSFLKMASA-N 344.440 1.415 0 40 EDAB COCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 247891253 TUFJQCMCRDPHPX-HXYMJUCXSA-N 344.411 1.704 0 40 EDAB O=C(c1ccnnc1)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 247857297 KZEQRIPKCMIUKC-CYBMUJFWSA-N 344.346 1.321 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@@H](CCc2cc(C)ncn2)C1 257243716 IIFRYNNZAKMFCZ-ZDUSSCGKSA-N 347.444 1.673 0 40 EDAB COc1cc(C(=O)NC[C@@H](C)C(=O)O)cc(OC)c1Br 54310099 GCBYDUWPDZGTMI-SSDOTTSWSA-N 346.177 1.917 0 40 EDAB O=C(O)Cc1ccc(O[C@@H]2CN(Cc3ncccc3F)C[C@H]2O)cc1 257279199 OFMSUSGOPUVMDW-IAGOWNOFSA-N 346.358 1.472 0 40 EDAB COc1ccccc1CC(=O)N1CCO[C@@H](c2cc(O)nc(C)n2)C1 257344375 ZWYMOINASPNXRY-MRXNPFEDSA-N 343.383 1.642 0 40 EDAB Cc1cn(C)c([C@H]2CCCN(C(=O)CN(C)Cc3cccnc3)C2)n1 257224844 FDQQWFAEGWPRLC-KRWDZBQOSA-N 341.459 1.962 0 40 EDAB CC1CC(NS(=O)(=O)c2cnc(NCCCO)c(Cl)c2)C1 1615046087 WADHDCRNIOKNAM-UHFFFAOYSA-N 333.841 1.606 0 40 EDAB c1ccc(N2CCO[C@H](CN3CCC(n4cncn4)CC3)C2)cc1 1615054321 CQDGCJLXDYVSGQ-GOSISDBHSA-N 327.432 1.820 0 40 EDAB CC(C)n1cc(CNC(=O)N2CCc3sccc3C2)c(O)nc1=O 1615545351 FTILAXYWTFFLEM-UHFFFAOYSA-N 348.428 1.859 0 40 EDAB CC(C)CS(=O)(=O)C1CN(C(=O)Cn2ccc3ccccc32)C1 96380084 NGGSEJRRGXRJFJ-UHFFFAOYSA-N 334.441 1.923 0 40 EDAB O=C(O)[C@H](Cc1ccncc1)NS(=O)(=O)c1ccc2c(c1)CCC2 647927977 BHXGZFHYBJOAGV-INIZCTEOSA-N 346.408 1.545 0 40 EDAB CC(=O)N1CCC(C(=O)NCc2cncc(-c3ccnn3C)c2)CC1 575609372 WYRAWYKERRDSHO-UHFFFAOYSA-N 341.415 1.357 0 40 EDAB C[C@@H]1c2nnc(COc3cccnc3)n2CCN1C1CCOCC1 585097898 SQDMUGJCGWZUML-CYBMUJFWSA-N 329.404 1.808 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](c2c(C(N)=O)sc3ncccc23)C1 585179615 KGXZCVOSMMLJIM-SECBINFHSA-N 339.442 1.534 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)c2cc(C)nc3ccccc23)[C@@H]1O 585283372 AAUKMGJXYQWVDX-JLZZUVOBSA-N 330.384 1.295 0 40 EDAB CS(=O)(=O)CCN1CCCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1 69485745 WPHQSKOVANVJEW-CQSZACIVSA-N 346.399 1.802 0 40 EDAB COc1ccccc1CC(=O)NCCc1nnc2n1CCCCC2 54450889 TVCVZGSUZQNYPV-UHFFFAOYSA-N 328.416 1.915 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)CCc2ccc3ccccc3c2)CC1 54133998 FHYSDZFPJRAZHX-UHFFFAOYSA-N 346.452 1.876 0 40 EDAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 56073165 FKEOGHRZXPYKOZ-AWEZNQCLSA-N 326.418 1.727 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)N3CCC[C@@H]4CCCC[C@H]43)cnc21 40485238 PHBIGUKQAYXESN-DZGCQCFKSA-N 343.431 1.701 0 40 EDAB Cn1cc(S(=O)(=O)NCCSCc2ccc(F)c(F)c2)cn1 76068347 HQWKHZHKGGYHSE-UHFFFAOYSA-N 347.412 1.910 0 40 EDAB CCOc1ccc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1OCC 96365076 HSHKCUWGMAFOMB-ZDUSSCGKSA-N 341.429 1.743 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 106575345 MYQOOJXLAFLZDR-CGTJXYLNSA-N 332.444 1.961 0 40 EDAB CC(C)N(C)CCNc1ccc(F)cc1S(=O)(=O)N[C@@H](C)CO 1615050946 NXABRZMUTZYLNI-LBPRGKRZSA-N 347.456 1.237 0 40 EDAB Cc1nnc(NC(=O)CSc2nnnn2-c2ccccc2)s1 5943326 HSWCQYZKTXWHPV-UHFFFAOYSA-N 333.402 1.553 0 40 EDAB Cc1noc(C)c1C(=O)N1CCc2nc3ccsc3c(=O)n2CC1 12736832 IVPYXODBDIOEJP-UHFFFAOYSA-N 344.396 1.761 0 40 EDAB CCOCCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 13580382 HYGPASJMLHVHQF-UHFFFAOYSA-N 326.418 1.165 0 40 EDAB CN1C(C(=O)NCc2ccccc2)=CC(c2ccco2)=NS1(=O)=O 15673620 CJPHUPDPKUMSOT-UHFFFAOYSA-N 345.380 1.459 0 40 EDAB Cc1cccc(OC[C@]2(O)COCCN(Cc3cnn(C)c3)C2)c1 643914173 NJDRAAPTEILDPX-GOSISDBHSA-N 331.416 1.371 0 40 EDAB C[C@@]1(C(=O)O)CCC[C@H]1NS(=O)(=O)c1cnn(-c2ccccc2)c1 548223494 ZTAOKGHBLGJEEC-GDBMZVCRSA-N 349.412 1.794 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2cccs2)CC1 19310496 PRAOFWFJLPLQOS-NSHDSACASA-N 330.475 1.987 0 40 EDAB CCc1nc(N2C[C@@H]3CN(C(=O)[C@H]4CC4(C)C)C[C@H]3C2)nc(O)c1F 1888850316 OQUVETIVVBCNDC-SDDRHHMPSA-N 348.422 1.824 0 40 EDAB O=C(C1CCOCC1)N1CCC(COc2ccc3nccn3n2)CC1 1888850381 HMGFGFBMYNPCQO-UHFFFAOYSA-N 344.415 1.773 0 40 EDAB NC(=O)CCN(Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1 25303164 UWAYIOXOROUSAS-KRWDZBQOSA-N 346.402 1.943 0 40 EDAB O=S(=O)(c1c(F)cccc1F)N1CCCN([C@H]2CCOC2)CC1 1565523399 MXFRBZJLGSWIJB-LBPRGKRZSA-N 346.399 1.450 0 40 EDAB O=C1C[C@H](NS(=O)(=O)c2ccc(F)cc2)CN1c1ccccc1 5221802 ZRZVNLAOBSKKFJ-ZDUSSCGKSA-N 334.372 1.910 0 40 EDAB CSc1nc(C)cc(N2CCN([C@@H](C)C(=O)NC(C)C)CC2)n1 2086865227 YDUSTHZBTHYDLQ-ZDUSSCGKSA-N 337.493 1.542 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H](Oc2cnccn2)C1 225795201 ULYBOMUTUOYCLI-ZDUSSCGKSA-N 327.340 1.428 0 40 EDAB C=CC(=O)N1CCC[C@H]1c1cc(Nc2nnc(C)s2)nc(C)n1 585292643 PZEZYHSMSLSLIV-LBPRGKRZSA-N 330.417 2.538 0 40 EDAB C[C@H](CN1CCCCC1)NC(=O)Nc1cccc(S(N)(=O)=O)c1 31055222 GSHSWQSYQUVUBA-GFCCVEGCSA-N 340.449 1.330 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]1 31284551 LZBWNSBOQWCZTK-MRXNPFEDSA-N 345.374 1.668 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ncccc2O)C1=O 40475468 PMTSLCUFFUXBMP-LLVKDONJSA-N 327.340 1.930 0 40 EDAB COC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1 31811489 QYLYVNZCWCYXQS-MRXNPFEDSA-N 346.362 1.769 0 40 EDAB O=C(NCCc1cn2ccccc2n1)[C@@H]1CC(=O)N(CC2CC2)C1 40508752 OIGXXFCUPPNLIM-CQSZACIVSA-N 326.400 1.252 0 40 EDAB NC(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 21392859 BJHYUGNIFLCMNH-UHFFFAOYSA-N 336.745 1.751 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCN(C(C)C)C(C)C)o1 32727829 CKINAIOIRHXZAT-UHFFFAOYSA-N 331.438 1.036 0 40 EDAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC[C@H]1CCOC1 41374161 IXKYOIKOHHAARW-PGBRGIIUSA-N 334.460 1.862 0 40 EDAB CN(CC(N)=O)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 52831867 ODJOMCUWIVSKPL-UHFFFAOYSA-N 343.349 1.614 0 40 EDAB COc1ccc([C@H]2CCCCCN2C(=O)CN(C)CC(N)=O)cc1 52831756 WQWWSINRHVSJFG-MRXNPFEDSA-N 333.432 1.556 0 40 EDAB COCc1ccccc1CNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 103071574 MQVSEJKPXLBACI-IYBDPMFKSA-N 344.411 1.624 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N1CCN(C/C=C/c2ccccc2)CC1 22038237 XSJQAXZNJJLHST-RZIFZGNASA-N 330.432 1.162 0 40 EDAB Cn1c(=O)c2c(-c3ccccc3)n(C[C@H]3CCCO3)cc2n(C)c1=O 534801 RZFOEBQKQDPQSQ-CQSZACIVSA-N 339.395 1.885 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N3CCO[C@@H]4CCC[C@@H]43)cnc12 53379090 QRDVRCDUZCPQHC-JKSUJKDBSA-N 341.411 1.875 0 40 EDAB Cc1nn(C)c2sc(C(=O)NCCN3C[C@H](C)O[C@H](C)C3)cc12 41945139 AGCROOIAPOWQHH-PHIMTYICSA-N 336.461 1.782 0 40 EDAB C[C@]1(NC(=O)CCc2cnn(-c3ccccc3)c2)CCS(=O)(=O)C1 22551675 HLLXKVGVRZLIBD-KRWDZBQOSA-N 347.440 1.498 0 40 EDAB O=C(NCCCN1CCCC1=O)c1ccc(NC(=O)C2CC2)s1 22626804 VZDSPQZGWZSFNI-UHFFFAOYSA-N 335.429 1.839 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccnc1SC(F)F 22900381 SYDCECHWRCTUMZ-SSDOTTSWSA-N 347.343 1.787 0 40 EDAB Cc1cccc(S(=O)(=O)NC(=O)c2ccc3c(c2)NC(=O)CO3)c1 42313485 OIRVLOUKFROFHC-UHFFFAOYSA-N 346.364 1.445 0 40 EDAB O=C(NCC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)C1CC1 47470958 FXQPCCLPOQJWIH-UHFFFAOYSA-N 330.384 1.340 0 40 EDAB CC(=O)c1ccc(NC(=O)C[C@@H](NCc2cccnc2)C(=O)O)cc1 195679 FFZNJKUGYGQAPX-MRXNPFEDSA-N 341.367 1.856 0 40 EDAB CC(C)CNC(=O)NC(=O)CSc1nnnn1-c1ccccc1 3524477 KADGOICNIPDAOP-UHFFFAOYSA-N 334.405 1.236 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N[C@H](c3ccccc3)C3CC3)cnc21 24027972 MISCUZTZHJQJBK-MRXNPFEDSA-N 337.383 1.398 0 40 EDAB COc1ccc(CCNC(=O)N[C@@H]2CCCCNC2=O)cc1OC 43000763 VSUMWMVBAHYVQV-CYBMUJFWSA-N 335.404 1.214 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(C)s1 6680112 AQLPGDUMGJLIII-UHFFFAOYSA-N 339.442 1.680 0 40 EDAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2)s1 8474659 QWNWMDZEDSTORX-UHFFFAOYSA-N 348.384 1.747 0 40 EDAB CC(C)Cc1nnc([C@H](C)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)o1 107322869 FBUFXFXHFOMPIK-SJCJKPOMSA-N 349.435 1.734 0 40 EDAB O=C(NCc1ccc(CO)c(F)c1)Nc1ccc(-n2cncn2)nc1 56501638 PHNYKCPBFOCMRC-UHFFFAOYSA-N 342.334 1.615 0 40 EDAB CS(=O)(=O)CCn1cccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1=O 108363291 UYLCIVSRRKKSRP-AVGNSLFASA-N 338.429 1.268 0 40 EDAB COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 44347384 BDXNQUYXEIWWJI-AWEZNQCLSA-N 340.445 1.325 0 40 EDAB O=C(NC(=S)Nn1cnnc1)c1cccc(Br)c1 3281200 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COc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1OC 36103417 GLZCXPFGUDZCRI-UHFFFAOYSA-N 348.443 1.888 0 40 EDAB O=C(NCc1ccc(-n2cncn2)cc1)c1ccnc(-n2ccnc2)c1 58334682 ZROAHGLWMUHBOV-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB CCOCCO[C@H](C)C(=O)N1CCN(C(=O)CC(F)(F)F)CC1 58380073 WJXUOARLUPUYIX-LLVKDONJSA-N 340.342 1.051 0 40 EDAB COC(=O)C1(NC(=O)C[C@@H]2CCS(=O)(=O)C2)CCCCCC1 58323855 WMWVDUGCRYVXSB-LBPRGKRZSA-N 331.434 1.193 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Cc2cccc(Cl)c2)C1 95440033 CFJQVNLSLKJDOD-SMDDNHRTSA-N 344.864 1.669 0 40 EDAB Cn1c(CN2CCC(OCc3ccccc3)CC2)cc(=O)n(C)c1=O 11037432 UUNBGRPGRMHCFE-UHFFFAOYSA-N 343.427 1.265 0 40 EDAB C[C@@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)C[C@@H]1CCCO1 45762778 WPISIBLCUOMCPO-ZFWWWQNUSA-N 337.441 1.948 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 11546568 JZSLCYQWNAYLMH-GUYCJALGSA-N 340.383 1.354 0 40 EDAB CCN(CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)Cc1ccccc1C 48365942 DYXZJXSRFQEZDW-UHFFFAOYSA-N 344.415 1.152 0 40 EDAB CN(CC(=O)NCC(F)(F)F)C(=O)Cc1c[nH]c2ccccc12 48320592 YDCQWNKJALSWNG-UHFFFAOYSA-N 327.306 1.847 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc2c(c1)OCCO2 12803760 WRUPBZZVDSXTSD-LLVKDONJSA-N 344.419 1.484 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1nc2nccc(C)n2n1 72234049 RKLCXEYHAFLOAS-CYBMUJFWSA-N 339.403 1.760 0 40 EDAB COC(=O)[C@](NC(=O)C(F)(F)F)(c1cccn1C)C(F)(F)F 2601343 RLSGRZCASNIBRZ-SECBINFHSA-N 332.200 1.634 0 40 EDAB CN1CCC[C@H](N2CCN(c3cc(NCC4CC4)ncn3)CC2)C1 95442060 WZHWHNICCQHTNA-INIZCTEOSA-N 330.480 1.515 0 40 EDAB C[C@H]1COCCN1C(=O)NCCC(=O)N1CCCc2ccccc21 47153387 VXSBQRTZCJINET-AWEZNQCLSA-N 331.416 1.786 0 40 EDAB COc1ccccc1C(=O)N1CCN(c2ncnc3[nH]cnc23)CC1 12323960 CIKDRGSOJYQXLU-UHFFFAOYSA-N 338.371 1.324 0 40 EDAB CCCCc1noc([C@@H](C)N2CCN(Cc3n[nH]c(C)n3)CC2)n1 95435055 GZIDKAKUWOIAQT-GFCCVEGCSA-N 333.440 1.718 0 40 EDAB CS(=O)(=O)/N=C(\O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 48480353 SUEVKLIPHSEWSE-LLVKDONJSA-N 328.365 1.594 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)O)ccc32)cc1 13278503 VXYYSRFAUICGQC-UHFFFAOYSA-N 346.364 1.235 0 40 EDAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13574547 CUZJTCOREIJEIC-XZDOFFSESA-N 345.374 1.365 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2ccc(C)nc2)C(N)=O)cc1 65493120 SDQFGSFKMYILPC-MRXNPFEDSA-N 341.411 1.863 0 40 EDAB CC(=O)N1CCc2nn(CC(=O)Nc3cccc(C)c3)c(=O)cc2C1 96105683 FCNKFLDUHFQKMD-UHFFFAOYSA-N 340.383 1.095 0 40 EDAB Cc1noc([C@H](C)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1 65610577 WXNDNYZPOARYRD-AWEZNQCLSA-N 349.479 1.848 0 40 EDAB Cc1ccc(S(=O)(=O)NNC(=S)NCc2ccco2)cc1 4599212 ICLRISHQSIQYDW-UHFFFAOYSA-N 325.415 1.446 0 40 EDAB CCc1ccc(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 6589592 YEWNDWKXIJYOCQ-UHFFFAOYSA-N 347.371 1.061 0 40 EDAB O=C(COC(=O)CN1CCCCCC1=O)Nc1ccc2c(c1)OCO2 5540452 AILXPOVZYDAAHU-UHFFFAOYSA-N 348.355 1.300 0 40 EDAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@H](n2cncn2)C1 72234822 OMAFXGZNYJGTQG-CABCVRRESA-N 341.419 1.148 0 40 EDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCc1ccco1 9485272 LQCITYLBHMQPNT-ZDUSSCGKSA-N 331.328 1.390 0 40 EDAB O=C1c2ccccc2C(=O)N1C[C@@H](O)COCc1ccccc1F 7137223 BLJKZHPITXKJPS-CYBMUJFWSA-N 329.327 1.999 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 9450455 FBPKSKJFQFCHQY-UHFFFAOYSA-N 336.388 1.833 0 40 EDAB COCCN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O 67782984 GEYMZMQUTJZUMF-LLVKDONJSA-N 333.207 1.924 0 40 EDAB COCCNc1ncc2c(n1)CC[C@@H](NC(=O)c1cccc(C)n1)C2 306144043 YUHUGRDBVWPIKQ-CQSZACIVSA-N 341.415 1.526 0 40 EDAB C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@@H](C)CC1 68830419 PHBSFGQJCLCLFF-OLZOCXBDSA-N 339.461 1.783 0 40 EDAB C[C@H](OCC1CC1)C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 71863723 WSYSVYWAPYXVQI-MAUKXSAKSA-N 332.444 1.679 0 40 EDAB O=C(c1csc(I)c1)N1CCC[C@@H](O)C1 71886379 IKORWGXNMVPRGO-MRVPVSSYSA-N 337.182 1.950 0 40 EDAB Cc1noc(C)c1CNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 71826968 PWCRLESSRWMRJN-HNNXBMFYSA-N 341.371 1.028 0 40 EDAB Cn1nc(C(=O)N2CCCN(CC3CCCCC3)CC2)ccc1=O 71820061 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O=C(NCCC(=O)N1CCCC1)c1ccc(CN2CCCC2=O)cc1 9613706 RMQQKYYCRYYNTG-UHFFFAOYSA-N 343.427 1.551 0 40 EDAB C[C@H]1CN(CCNC(=O)N[C@@H]2CCN(C3CCCC3)C2)C[C@@H](C)O1 69628815 LNUUACOLXLYYLI-OWCLPIDISA-N 338.496 1.412 0 40 EDAB Cc1nc(C2CCN(C(=O)NCc3ccc(N(C)C)nc3)CC2)no1 69768178 LKFUWKCRCRXGSD-UHFFFAOYSA-N 344.419 1.928 0 40 EDAB CCOC1CCN(C(=O)NCC(=O)N2CCc3ccccc3C2)CC1 69702619 HDPMIYFHUHPBJM-UHFFFAOYSA-N 345.443 1.782 0 40 EDAB Cc1cc(F)ccc1NC(=O)C(=O)N1CCCN(C(=O)C(C)C)CC1 69770164 VIAFODLVYUJFPS-UHFFFAOYSA-N 349.406 1.790 0 40 EDAB CCc1nnc2n1C[C@H](CNCC(=O)N(C)Cc1ccc(C)o1)CC2 69707485 IACQNZYAKXJYIU-AWEZNQCLSA-N 345.447 1.553 0 40 EDAB FC(F)(F)Cn1ccnc1CN[C@H]1CCCN(c2cccnn2)C1 69843677 KADUHEAVZJYNFP-LBPRGKRZSA-N 340.353 1.994 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N2CCCCC2)cc1 69808517 WTDBGPGPFLVOHE-JXMROGBWSA-N 329.400 1.188 0 40 EDAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1cn[nH]n1 97011722 DPEKPWMMANBAQC-UHFFFAOYSA-N 342.384 1.372 0 40 EDAB CC(=O)NCC(=O)Nc1cc(I)ccc1C 97097012 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1.217 0 40 EDAB CN(C)c1cc(C(=O)Nc2cccnc2N2CCOCC2)ccn1 95369446 IOSDKPBIPDNJMP-UHFFFAOYSA-N 327.388 1.632 0 40 EDAB O=C(NCc1ncccc1F)C(=O)Nc1ccc(C(F)(F)F)nc1 95976945 NRBKVHZLELVGGO-UHFFFAOYSA-N 342.252 1.889 0 40 EDAB Cn1ncc(N2CCC(n3ccnc3)CC2)c(Br)c1=O 95958879 ILHVHOHKWGWENJ-UHFFFAOYSA-N 338.209 1.581 0 40 EDAB CN1CC[C@H](C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1=O 95950696 FPFWGXKNGJZFCI-HNNXBMFYSA-N 339.395 1.704 0 40 EDAB O=C(NCCc1n[nH]c(=O)[nH]1)c1ccc(OC2CCC2)cc1Cl 89769913 RVTZHIHNQGSJET-UHFFFAOYSA-N 336.779 1.655 0 40 EDAB C[C@H](NC(=O)[C@H]1CNC(=O)N1)c1ccc(OCC(F)(F)F)cc1 89904852 LPWZZXKGPVWRBH-GZMMTYOYSA-N 331.294 1.486 0 40 EDAB CCC(C)(C)NC(=O)[C@@H](C)N1CCN(c2cc(Cl)ncn2)CC1 89942006 LLNRXHXNNFQAAR-GFCCVEGCSA-N 339.871 1.945 0 40 EDAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CCN(CCO)CC1 75568275 NMMBIZYKPGJEBU-OWOJBTEDSA-N 338.791 1.218 0 40 EDAB CC[C@H]1CN(Cc2ccccc2)CCN1CCNS(C)(=O)=O 75917795 FOSFRVFPOCJHFL-INIZCTEOSA-N 325.478 1.132 0 40 EDAB O=c1c(=O)n2c(nn1CC1CCC1)[C@@H]1CN(Cc3ccco3)C[C@H]1C2 306139010 SNDKCIVLSRPLSL-DZGCQCFKSA-N 342.399 1.027 0 40 EDAB Cc1cc(CN2CC3(CC[C@H](CNc4ncccn4)CO3)C2)n(C)n1 306124002 BCTMYGUEKWMLMI-OAHLLOKOSA-N 342.447 1.612 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)N1C[C@H]2CCCC[C@H]2C1 78323711 APIVTJJAVQDQJQ-GASCZTMLSA-N 343.431 1.718 0 40 EDAB C[S@](=O)c1nncn1-c1cc(-c2ccccc2)nc2ncnn12 79311268 BFIJZAKSRGNAEE-HSZRJFAPSA-N 325.357 1.109 0 40 EDAB Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3C(=O)CO)n2)n1 72376338 CSHGLNWELVZFEP-CYBMUJFWSA-N 328.376 1.283 0 40 EDAB CC(C)NC(=O)CN1CCC2(CC1)Nc1ccccc1C1=NCCN12 72327106 SCSVVOHKRYGSHI-UHFFFAOYSA-N 341.459 1.491 0 40 EDAB COCC(=O)N1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 72377810 FEAZIONAPOYHQE-ZDUSSCGKSA-N 328.376 1.710 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 78610911 DBGPPAUIXXXVDW-CJNGLKHVSA-N 337.370 1.671 0 40 EDAB Cc1nn(C)c2cn(Cc3ccc(C(=O)N4CCSCC4)o3)nc12 41123831 PEMQNHQZMARHAQ-UHFFFAOYSA-N 345.428 1.909 0 40 EDAB Cn1nc(CNS(=O)(=O)Cc2ccccc2)c2ccccc2c1=O 75148983 FXLLGTSJJVCGGY-UHFFFAOYSA-N 343.408 1.553 0 40 EDAB COc1cc(N2CCOCC2)nc(NC(=S)NCC(C)C)n1 225890644 FHNPXFRIERTRIO-UHFFFAOYSA-N 325.438 1.264 0 40 EDAB CCN(CC)C(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 222815663 NIXVFTQMKMTHQJ-SNVBAGLBSA-N 334.388 1.988 0 40 EDAB O=C(Cc1cccc(Cl)c1Cl)NC[C@@H](O)CN1CCOCC1 193786350 IDEAIRAOGFFIAY-GFCCVEGCSA-N 347.242 1.345 0 40 EDAB COc1ccc(CCC(=O)N2CCC(CC(N)=O)CC2)cc1OC 40542540 SBXAFYXNLKZXIR-UHFFFAOYSA-N 334.416 1.750 0 40 EDAB COC[C@@H](O)CN1CCC(N[C@H]2CCCNc3ccccc32)CC1 193057028 LAMWRRUQSZALML-LPHOPBHVSA-N 333.476 1.995 0 40 EDAB COc1ccccc1CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CCCO1 223412526 CWUDFMHMQQDLOT-HUUCEWRRSA-N 332.400 1.481 0 40 EDAB Cc1nc(CN2CCC[C@](O)(Cn3ccnn3)C2)nc2ccccc12 574182977 JNASTPZEAUQFCF-GOSISDBHSA-N 338.415 1.557 0 40 EDAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)NCCc1ccccc1 223314379 VOTSOWUQRWUATP-UHFFFAOYSA-N 332.381 1.951 0 40 EDAB CCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224347389 NTUJYEZTBDDERV-UHFFFAOYSA-N 326.418 1.376 0 40 EDAB Cc1cn(-c2ncccc2F)nc1NC(=O)[C@H]1CCc2cncn2C1 576639484 ABQFMFPSQHTWCN-LBPRGKRZSA-N 340.362 2.112 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)C1=Cc3ccccc3OC1)C2 195578807 SHEDPSWEFSNKTK-CQSZACIVSA-N 345.424 1.859 0 40 EDAB CN(C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc3c2OCC3)C1 96502171 CBAWDQACBBEPQF-NSHDSACASA-N 344.864 1.847 0 40 EDAB CO[C@@H]1CO[C@@]2(CCCN(C(=O)c3nn(C)c4ccccc34)C2)C1 96073506 IRLAAGRDIRSDCE-UGSOOPFHSA-N 329.400 1.983 0 40 EDAB O=C(O)[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)c1ccc(Cl)cc1 578577530 QIGUXEAXDONAQU-SKDRFNHKSA-N 333.793 1.422 0 40 EDAB O=C(c1ccncc1)N1CCC[C@]2(C[C@@H](Oc3ncccn3)CO2)C1 96222627 SJUIOJMAFJHFAO-QAPCUYQASA-N 340.383 1.714 0 40 EDAB CNC(=O)c1cccnc1N1CCC(NC(=O)c2occc2C)CC1 96429325 QJACSVVRQMFSOH-UHFFFAOYSA-N 342.399 1.741 0 40 EDAB Cc1nnc2ccc(SCC(=O)Nc3ccc4c(c3)OCO4)nn12 95473194 RKSBRKBMWOTPGL-UHFFFAOYSA-N 343.368 1.892 0 40 EDAB O=C([C@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1)N1CCOCC1 96057492 VHOVLRWDKIPVER-MGPQQGTHSA-N 337.445 1.124 0 40 EDAB C[C@@]1(C(=O)N[C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCC(=O)N1 1591759213 ZKWRRXIAUFYOFO-GUYCJALGSA-N 340.387 1.029 0 40 EDAB O=C(N[C@@H](CO)c1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 230214151 BTEJUQAPUHHZFT-ZBFHGGJFSA-N 328.368 1.478 0 40 EDAB Nc1nc(N2CCCN(C(=O)c3ccncc3)CC2)nc2ccccc12 95449308 JZZMKNPLQUVQPT-UHFFFAOYSA-N 348.410 1.960 0 40 EDAB O=C(NC[C@H]1OC[C@@H]2CN(c3ncccn3)CC[C@@H]21)c1cccnc1 96064318 CDPZOCSDBFQREA-HRCADAONSA-N 339.399 1.143 0 40 EDAB Cc1cc(NC(=O)Cc2ccc(OCc3nnnn3C)cc2)no1 96101412 IXFFXODPZCLOSE-UHFFFAOYSA-N 328.332 1.267 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(CCN2CCCCC2)C1 583618892 YNXINVBIBIJJGL-CABCVRRESA-N 330.436 1.372 0 40 EDAB Cc1cnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nc1C 96486601 YUKQJMNXQXPWIB-INIZCTEOSA-N 325.416 1.442 0 40 EDAB CN(C)CC(=O)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 96040454 YAJHLQMHOGHZPV-QAPCUYQASA-N 333.432 1.420 0 40 EDAB O=C(c1cscn1)N1CC[C@@]2(C[C@@H](N3CCCC3=O)CCO2)C1 96209359 HFMRNWQYTAWSFB-BLLLJJGKSA-N 335.429 1.529 0 40 EDAB COc1cc(CNC(=O)c2c(OC)cc(=O)n3c2CCC3)ccn1 245060669 PUSRZGHIFXNQGM-UHFFFAOYSA-N 329.356 1.137 0 40 EDAB NC(=O)c1ccc(C(=O)N2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 585088049 IFZCJBJZIMQYSG-VXGBXAGGSA-N 330.306 1.703 0 40 EDAB CNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(C)nc2c1cnn2C 585083971 HCAWNKVRVYLSOI-GFCCVEGCSA-N 345.403 1.627 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257262158 LKJKUWKTGRHHFA-INIZCTEOSA-N 343.431 1.155 0 40 EDAB C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)N=[S@](C)(=O)N(C)C 585115651 LWUJJVQPVKKHIK-SBKAZYGRSA-N 337.442 1.638 0 40 EDAB COc1ccc2ccccc2c1CN1CC[C@H]2OCC(=O)N[C@H]2C1 257251081 JPHYKFPPJIHEFB-FUHWJXTLSA-N 326.396 1.938 0 40 EDAB CCOC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H]1CCCC(=O)N1 252510507 ZMGJOIFTOWQWCS-CABCVRRESA-N 332.400 1.254 0 40 EDAB CCn1nccc1-c1cc([C@H]2CCN(S(C)(=O)=O)C2)nc(C)n1 257320115 VVLBHLXJSLJGLR-LBPRGKRZSA-N 335.433 1.417 0 40 EDAB CO[C@@H]1CCCOC12CCN(C(=O)CN1CCCCCC1=O)CC2 257221624 DPXDXEHYBWHAAA-OAHLLOKOSA-N 338.448 1.576 0 40 EDAB COc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)oc2ccccc12 252500940 TZYDCPMOCIYBAH-UHFFFAOYSA-N 338.385 1.159 0 40 EDAB CCCS(=O)(=O)N1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 257265063 LXEBZFDTCPWHSF-HUUCEWRRSA-N 331.409 1.770 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1 257247827 JARYMDISDJXLAW-MRXNPFEDSA-N 345.447 1.922 0 40 EDAB COc1ccc(-c2ccc(N3CCC[C@H](C(N)=O)C3)nc2)c(CO)c1 629740842 KDPXLSBVUCAQAF-AWEZNQCLSA-N 341.411 1.951 0 40 EDAB CCc1ccccc1S(=O)(=O)N[C@@H](c1cnn(C)c1)c1ncon1 1615058599 OWSYMAFUCVTETK-AWEZNQCLSA-N 347.400 1.433 0 40 EDAB Cn1ncc(C(=O)NCCC2=CCCCCC2)c1S(N)(=O)=O 1615605057 JDFBPPJTIYQHRA-UHFFFAOYSA-N 326.422 1.078 0 40 EDAB Brc1ccccc1Cc1nnnn1C[C@@H]1COCCO1 1616033206 MNLOKXISUMMPLK-LLVKDONJSA-N 339.193 1.442 0 40 EDAB Cc1cc(CNC(=O)/C=C/c2ccco2)nc(N2CCOCC2)n1 96121296 WXSDFLHTIDUIFZ-SNAWJCMRSA-N 328.372 1.544 0 40 EDAB COc1cc(C(=O)N[C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)on1 585110664 XZKPEYZRMVFNHA-CYBMUJFWSA-N 343.383 1.542 0 40 EDAB COc1cc(C(=O)N[C@H]2CCc3c(ccc(=O)n3CC3CC3)C2)on1 585110665 XZKPEYZRMVFNHA-ZDUSSCGKSA-N 343.383 1.542 0 40 EDAB O=C(C1CC(O)C1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1ccncc1 585108774 BSGSWPPOHFHUHD-YOTSKQKMSA-N 332.400 1.128 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 71185258 HPZYGRQUAFAGBV-PSASIEDQSA-N 326.194 1.897 0 40 EDAB COc1c([C@H]2CCCN2[C@@H](C)C(=O)Nc2ncccn2)c(C)nn1C 72253712 YRNPMXFESNFWEW-QWHCGFSZSA-N 344.419 1.691 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c1 58497357 SUEKAONCHUGAON-UHFFFAOYSA-N 332.337 1.429 0 40 EDAB CCN(CC)[C@@H](C)CNC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 89967753 IUGFEPOKGMJMII-YOEHRIQHSA-N 337.468 1.407 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CCCN1CCNS(C)(=O)=O 77371442 UCOPPXNPTSDLTG-HNNXBMFYSA-N 325.478 1.132 0 40 EDAB CCN1OC2(CCN(C(=O)Cc3ccc(OC)cc3)CC2)CC1=O 1549163156 ZOPOOATUTZUUTK-UHFFFAOYSA-N 332.400 1.783 0 40 EDAB CCCNC(=O)NC(=O)CSc1nnnn1-c1cccc(F)c1 5220033 OUYDQVWAZYUEIT-UHFFFAOYSA-N 338.368 1.129 0 40 EDAB CCOCC(=O)OCC(=O)Nc1sc2c(c1C(=O)OC)CCC2 11396935 QNESUWKIWCJCHF-UHFFFAOYSA-N 341.385 1.542 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCC(O)(c2cccnc2)CC1 12113227 YDYIKSKPDIDVRS-UHFFFAOYSA-N 340.379 1.977 0 40 EDAB Cn1c(=O)oc2cc(S(=O)(=O)N[C@H]3C[C@H]3c3ccccc3)ccc21 12241736 KFJMFRSLEZKSAO-KBPBESRZSA-N 344.392 1.966 0 40 EDAB C[C@@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)N1CCCC1 12788988 KIPFQCSGZMLIPD-LLVKDONJSA-N 325.386 1.258 0 40 EDAB O=C(Nc1ccc(NC(=O)Nc2nc[nH]n2)cc1)Nc1nc[nH]n1 16428412 FGYSNWKTVGSCJI-UHFFFAOYSA-N 328.296 1.211 0 40 EDAB COc1cc(OC)c2cc(C(=O)NC[C@@H](C)N3CCOCC3)[nH]c2c1 19456481 BIXQQLHQQGFQKF-GFCCVEGCSA-N 347.415 1.636 0 40 EDAB C[C@H](NC(=O)Cc1c[nH]c(=O)[nH]c1=O)c1cc2cc(Cl)ccc2o1 19458571 SCJLXYBWOIEOEZ-QMMMGPOBSA-N 347.758 1.883 0 40 EDAB C[C@@]1(CNc2nc(CCCN3CCOCC3)cc(=O)[nH]2)CCCO1 19461248 JWAIANKETBYHHH-KRWDZBQOSA-N 336.436 1.016 0 40 EDAB CC1CCN(c2nc([C@@H](C)NC(=O)c3ccccn3)cc(=O)[nH]2)CC1 19497015 AZBYJWOIMSBYLH-CYBMUJFWSA-N 341.415 1.892 0 40 EDAB Cn1cc([C@H](CO)NC(=O)Cc2cc(Cl)cc3c2OCC3)cn1 543580106 KPBZPQWSESMQAO-AWEZNQCLSA-N 335.791 1.401 0 40 EDAB Cc1cc(N)nc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)n1 7048734 GBOCLVCDMBSPPP-JTQLQIEISA-N 346.412 1.893 0 40 EDAB O=C([C@@H]1CCCN(c2ncnc3cnccc23)C1)N1CCOCC1 1888859563 RPRICFHFXNRURK-CYBMUJFWSA-N 327.388 1.100 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C)C[C@@H]2C1 1888860234 YWQZGQPOVJWWHN-BETUJISGSA-N 334.445 1.291 0 40 EDAB COc1ccc(CC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1 24689842 BJRUMXAGVBEZGP-AWEZNQCLSA-N 340.445 1.168 0 40 EDAB CCOC(=O)c1c(N(C)C)ncc2c1CCN(C(=O)[C@@H]1CCOC1)C2 1614940397 JCWSHIXPHPCDNN-GFCCVEGCSA-N 347.415 1.246 0 40 EDAB COc1ccnc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)n1 2086988583 ADCXOGRITFEELE-UHFFFAOYSA-N 349.398 1.664 0 40 EDAB COc1cnc(O[C@H]2CCN(c3cc(C)nc(SC)n3)C2)nc1 2087131097 DSMLLFKLODZSFO-NSHDSACASA-N 333.417 1.963 0 40 EDAB COc1ccc(N2C[C@H](NC(=O)NC[C@H]3CCCO3)CC2=O)cc1 4373483 CLPNZAMTKWBZMG-IUODEOHRSA-N 333.388 1.279 0 40 EDAB CN1C(=O)c2cccc(NC(=O)Cc3ccc4c(c3)OCO4)c2C1=O 9521511 MEYIWEFBBVSPDF-UHFFFAOYSA-N 338.319 1.822 0 40 EDAB CCC(CC)NC(=O)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055713857 RXMYDOFAMOCVLD-ZDUSSCGKSA-N 332.448 1.890 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CC[C@@H](Oc2cnsn2)C1 1775967515 VAWCLWHJHNWPFF-LLVKDONJSA-N 348.384 1.630 0 40 EDAB O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)C2CC2)CC1 42383457 RWMJMQWYWFNDAD-UHFFFAOYSA-N 328.821 1.590 0 40 EDAB Cn1ccc(CN2CCC(C(=O)N3CCSCC3)CC2)cc1=O 2298041249 IFQIOXJOCDFKIS-UHFFFAOYSA-N 335.473 1.173 0 40 EDAB COc1cccc(CNC(=O)c2c(O)nc3scc(C)n3c2=O)c1 10166734 CTGXGUIBYANHMJ-UHFFFAOYSA-N 345.380 1.709 0 40 EDAB C[C@H]1CN(c2ccc(C(=O)N[C@H](C)Cn3cccn3)cn2)C[C@@H](C)O1 31402881 COECUVMCARXCTI-KFWWJZLASA-N 343.431 1.710 0 40 EDAB O=C(NCc1cccnc1-n1cccn1)[C@H]1CC(=O)N(CC2CC2)C1 40514129 JUNDWRPAFRVOAZ-HNNXBMFYSA-N 339.399 1.142 0 40 EDAB CN(C)c1cc(C(=O)NCc2cccnc2N2CCOCC2)ccn1 40513715 NJHQJGFRNVMUMU-UHFFFAOYSA-N 341.415 1.309 0 40 EDAB CSc1nc2n(n1)[C@H](c1ccc3c(c1)OCO3)C=C(C(=O)O)N2 101611215 JMITZQOWHUZLPU-VIFPVBQESA-N 332.341 1.712 0 40 EDAB O=c1c(NCc2cccnc2)c(N2CCN(c3ccccc3)CC2)c1=O 101693996 HTELEKBNNLIRLD-UHFFFAOYSA-N 348.406 1.616 0 40 EDAB Cc1noc(C)c1CCC(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 32722558 POCIRFNSLHCIME-MRXNPFEDSA-N 327.384 1.663 0 40 EDAB Cc1cc(=O)c(C(=O)N2CCN(C)CC2)nn1-c1ccc(Cl)cc1 52537332 OUAOYCSGZSDDIO-UHFFFAOYSA-N 346.818 1.582 0 40 EDAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CC(=O)[C@H](CC4=O)[C@H]3C2=O)cc1Cl 102686672 QVXSDPZASGYXCG-ANGCBRKESA-N 331.755 1.932 0 40 EDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@H]1c1cccc(Cl)c1 53157702 XPLROSQDSSLTLJ-AWEZNQCLSA-N 344.864 1.767 0 40 EDAB O=C(c1cc(Cl)c[nH]1)N1CCN(Cc2noc(C3CC3)n2)CC1 53611240 GKNYLHRQIVIATC-UHFFFAOYSA-N 335.795 1.887 0 40 EDAB C[C@H](NC(=O)c1ccnc(-n2cncn2)c1)c1ccc2[nH]c(=O)[nH]c2c1 54080091 BBDQIBILYFOCCU-JTQLQIEISA-N 349.354 1.323 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 104335368 ZONDLSDOKNUGJI-WMLDXEAASA-N 336.457 1.288 0 40 EDAB Cc1nc(CCNC(=O)Cn2ncc3ccccc3c2=O)cs1 23056241 MWZCXWLJYMVATH-UHFFFAOYSA-N 328.397 1.520 0 40 EDAB Cc1nc2c(cnn2-c2ccccc2)c(=O)n1CC(=O)OC(C)C 113753 WIQPQAYIJGABDX-UHFFFAOYSA-N 326.356 1.842 0 40 EDAB Cc1cc(N(C)Cc2ccccc2N2CCOCC2)n2ncnc2n1 12597092 JWJAXBKLPAQESS-UHFFFAOYSA-N 338.415 1.906 0 40 EDAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1ncnc2c1cnn2C 78787872 XBRSXNZAHSYFSX-ZIAGYGMSSA-N 328.420 1.733 0 40 EDAB NC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)c(F)c1 78947146 LKAWAFIOTDZBIM-GZMMTYOYSA-N 329.169 1.972 0 40 EDAB NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1n[nH]c(=O)c2ccccc12 79099404 JNIZDYGMEHGHCF-STQMWFEESA-N 328.372 1.087 0 40 EDAB COc1ccc(CN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1OC 54417702 JXKHDSUIYJKHEZ-UHFFFAOYSA-N 343.387 1.306 0 40 EDAB NC(=O)SCC(=O)Nc1ccccc1NC(=O)CSC(N)=O 1681347 USCOWGPONRRAAC-UHFFFAOYSA-N 342.402 1.187 0 40 EDAB CCOc1cccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 54815725 LNCDBFSJBBGDJU-UHFFFAOYSA-N 331.372 1.985 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)NC2CCCCCCC2)C1 42952854 ZMCMBHDDPZCGQJ-CQSZACIVSA-N 331.482 1.823 0 40 EDAB Cc1c(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cnn1C 54972818 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NAOZVQQXYBWTIR-GOSISDBHSA-N 330.432 1.847 0 40 EDAB NS(=O)(=O)c1ccc(OCCN2CCc3ccccc3C2)cc1 27269697 PQOCSALAMSWHKO-UHFFFAOYSA-N 332.425 1.771 0 40 EDAB O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)CN1CCc2ccccc2C1 58137726 FIXYFJLXLITAOQ-KRWDZBQOSA-N 342.439 1.725 0 40 EDAB O=C(Cn1ccccc1=O)NC[C@@H](c1cccs1)N1CCOCC1 44867932 YBCFOOTVMMJHQV-AWEZNQCLSA-N 347.440 1.100 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(Cc2noc(-c3ccco3)n2)C1=O 44944263 ALOMKOIROKJMNY-OAHLLOKOSA-N 328.284 1.890 0 40 EDAB CCOc1ccc(-n2ncc(C(=O)N[C@H](C)[C@@H]3CCCO3)c2C)nn1 27889152 HUEYSDAGCYJOPG-RISCZKNCSA-N 345.403 1.667 0 40 EDAB CC(C)(C)C(=O)NCCCC(=O)NC1CCC2(CC1)OCCO2 58398604 LVQSEAVSCYIPQC-UHFFFAOYSA-N 326.437 1.731 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1OC 72269469 JCMYGBXIVJZZIY-HOTGVXAUSA-N 348.443 1.304 0 40 EDAB CC/C(Nc1ccc(C)cc1)=C1/C(=O)NC(=S)N(CCOC)C1=O 105309636 ORMAYYQBKBZLAO-BUHFOSPRSA-N 347.440 1.961 0 40 EDAB Cc1cc(C)cc(OCC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1 29205714 KELQUNKOQRIBKX-CQSZACIVSA-N 340.445 1.222 0 40 EDAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCC(F)(F)F 12856923 DIEPYMYVIWWCRP-UHFFFAOYSA-N 328.246 1.363 0 40 EDAB CC(C)OC(=O)CNS(=O)(=O)c1cccc(Br)c1 37077223 OJTSBFNBULWOBL-UHFFFAOYSA-N 336.207 1.679 0 40 EDAB C[C@H](C(=O)NCC1([C@H](O)c2ccccc2)CC1)N1CCN(C)CC1 95434566 JOUYLGMJPSREAF-NVXWUHKLSA-N 331.460 1.252 0 40 EDAB CCc1ccc([C@H](CNC(=O)N2CCC[C@H]2C(=O)NC)N(C)C)cc1 95436829 QQBFVENDYTXQKZ-IRXDYDNUSA-N 346.475 1.772 0 40 EDAB Cc1cccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)c1O 3457717 ZGPVUMARFVAFIF-UHFFFAOYSA-N 342.351 1.883 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(=O)O 71335131 HMARZUXPCKWLQH-ZUZCIYMTSA-N 349.412 1.587 0 40 EDAB CC(C)c1nnc2n1CCN(C[C@@H](O)COCc1cccs1)C2 72253945 MGDYPHVTSGTLJA-CYBMUJFWSA-N 336.461 1.856 0 40 EDAB NC(=O)[C@@H](CNC(=O)c1cc(C2CC2)[nH]n1)Cc1ccc(F)cc1 65464182 CHCAOTDAIKJOOK-GFCCVEGCSA-N 330.363 1.500 0 40 EDAB CNC(=O)CN(C)C(=O)c1nn(-c2ccccc2C)c2c1CCC2 65498139 JOFXRNZKPQZBME-UHFFFAOYSA-N 326.400 1.487 0 40 EDAB COc1ccc(C[C@@H](C)N(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 65412790 ALPWOBKUWKYGFA-GFCCVEGCSA-N 341.415 1.728 0 40 EDAB CCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 4487089 DGXPRKLJPUCGPR-UHFFFAOYSA-N 326.418 1.294 0 40 EDAB O=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1 65519281 OIGXZAVOYHFZSZ-ZDUSSCGKSA-N 344.433 1.416 0 40 EDAB CC(C)COC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2)CC1 65565233 CCAXNMHHXSONTH-UHFFFAOYSA-N 347.415 1.353 0 40 EDAB COC[C@H](C)NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 14141227 HCIRXVYKXATXBO-VIFPVBQESA-N 325.434 1.289 0 40 EDAB CC[C@@H](C)NC(=O)CCNC(=O)NCCc1ccc(N(C)C)cc1 65614640 VMCOWLKJAITPSI-CQSZACIVSA-N 334.464 1.899 0 40 EDAB CS(=O)(=O)NCCc1ccc(I)s1 65608921 OFCFRDVODMGBEH-UHFFFAOYSA-N 331.200 1.444 0 40 EDAB CC(=O)N[C@H](C)C(=O)NC1(C(=O)Nc2ccc(C)cc2)CCCC1 4568322 HYJSOIWDXQCRCO-CYBMUJFWSA-N 331.416 1.887 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCc4nccn4C3)CC2=O)cc1 97197841 IKRFDBXPYNCMJL-LSDHHAIUSA-N 338.411 1.676 0 40 EDAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)OCC(=O)N3)on1 14571758 XMIDTQMRORDHRZ-VIFPVBQESA-N 345.311 1.498 0 40 EDAB COC(=O)CN(Cc1ccccc1C)C(=O)c1ccn(C)c(=O)c1 66291972 XQFFLFVBDKDWEE-UHFFFAOYSA-N 328.368 1.509 0 40 EDAB Cc1c(C(=O)OCC(=O)N(C)C)nnn1-c1ccc(F)c(Cl)c1 66656380 NKYSTISGLBIDOZ-UHFFFAOYSA-N 340.742 1.613 0 40 EDAB CCCn1c(SCC(=O)NCc2ccc(OC)cc2)n[nH]c1=O 6888203 BIDGJLVFGATTHB-UHFFFAOYSA-N 336.417 1.399 0 40 EDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc2cccnc12 72300559 XGSQRAUGBMBSLH-BBRMVZONSA-N 333.457 1.994 0 40 EDAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccccc2C)c2ccccc2O1 7252576 GZHUOGGHAMPQHX-QGZVFWFLSA-N 339.395 1.947 0 40 EDAB c1ncn(CCN2CCN(C3CCC4(CCNCC4)CC3)CC2)n1 67741332 YKQAKSWUGZUSMV-UHFFFAOYSA-N 332.496 1.208 0 40 EDAB O=C(CN1CCCCCCC1=O)NC[C@@H](O)c1ccc(F)cc1F 68078814 IIZVFMOHRDDNMH-OAHLLOKOSA-N 340.370 1.907 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2CCCS(=O)(=O)N(C)C)n1 71876121 MVFQMWIHIFERFH-HNNXBMFYSA-N 328.482 1.246 0 40 EDAB C[C@@H]1C[C@H](N2CCN(C(=O)Cc3ccccc3Cl)CC2)C(=O)O1 71830903 KMBNWUZTYHPUKB-DOMZBBRYSA-N 336.819 1.731 0 40 EDAB CCN1C(=O)C(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O 8206791 ATCGHMQGMXIOTR-UHFFFAOYSA-N 341.367 1.113 0 40 EDAB Cc1cccc(N2C[C@H](C(=O)N3CCNC(=O)CC3)CC2=O)c1C 71839566 XFQSIAHBKYDFKM-CQSZACIVSA-N 329.400 1.005 0 40 EDAB Cc1c(NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)cccc1C(N)=O 71882648 HUNUJNRYDVKPMP-ZDUSSCGKSA-N 349.456 1.980 0 40 EDAB C[C@@H](C(=O)Nc1ncccn1)N(C)C[C@@H]1CCCN1c1cccnn1 71860002 MXBFCAHPPJDZAR-KBPBESRZSA-N 341.419 1.194 0 40 EDAB COCCn1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(C)o2)cn1 70040432 PFJHEJBVFJEUMO-AWEZNQCLSA-N 346.387 1.733 0 40 EDAB CC1(C)COCCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 71893690 SRLQZTLWPYCCAO-UHFFFAOYSA-N 328.372 1.222 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)c1 69350330 MRPTYKCUDBNOSS-AWEZNQCLSA-N 339.413 1.663 0 40 EDAB Cn1ncnc1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 84304066 IQGVHVNGCURAIG-UHFFFAOYSA-N 329.341 1.920 0 40 EDAB CCc1nnc(Sc2ccc3nnc(C(F)(F)F)n3n2)n1C 69485396 PAYZFXNFHJVRDM-UHFFFAOYSA-N 329.311 1.985 0 40 EDAB CCc1c(C(=O)N2CCCN(CC)CC2)cnn1-c1ccccn1 69530282 FUKIVFAOPBISDZ-UHFFFAOYSA-N 327.432 1.998 0 40 EDAB COc1cc(C)ccc1OCCC(=O)N1CCn2c(C)nnc2C1 69598029 DRUMRHPPUHDZRT-UHFFFAOYSA-N 330.388 1.715 0 40 EDAB COCCn1ccc(NC(=O)c2ccc3c(c2)NC(=O)CN3C)n1 69566992 KUDIBMPLDXHSLK-UHFFFAOYSA-N 329.360 1.170 0 40 EDAB Cc1cnc(CN2CCN([C@H](C)c3nc(C4CC4)no3)CC2)cn1 69534894 SZCCIAMDHPJMRC-CYBMUJFWSA-N 328.420 1.924 0 40 EDAB CN(CC(=O)N1CCCCCC1)C[C@H](O)COCc1ccccc1 71907387 ZEHSYVYHCTWSKX-SFHVURJKSA-N 334.460 1.899 0 40 EDAB CCN1CCCN(C(=O)CCC(=O)N2CCc3sccc3C2)CC1 69653466 QODLCCAFJLPEOK-UHFFFAOYSA-N 349.500 1.967 0 40 EDAB CCc1ncc(C(=O)N2CCN(c3nc(C)cc(OC)n3)CC2)s1 69652554 YRWFLQCGJWAQFF-UHFFFAOYSA-N 347.444 1.775 0 40 EDAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC[C@H](n2ccnc2)C1 69666305 HNGDOQJUTFSWOV-INIZCTEOSA-N 349.394 1.906 0 40 EDAB CCn1ccnc1CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 69704783 RXFYXLLSMQOGOW-UHFFFAOYSA-N 337.401 1.495 0 40 EDAB COc1ccccc1CN(C)C(=O)CN1CCCC[C@@H]1CC(N)=O 69814351 AKRUBHHGZHJKGB-OAHLLOKOSA-N 333.432 1.384 0 40 EDAB COC(=O)NCCC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 69869680 XPGYZHVAEKCVRO-UHFFFAOYSA-N 337.395 1.606 0 40 EDAB O=C(Nc1cnn(-c2ccccc2Cl)c1)[C@H]1CCS(=O)(=O)C1 69842081 PBDHRTYZXKOANO-JTQLQIEISA-N 339.804 1.899 0 40 EDAB Cc1ccccc1CNC(=O)CN1CCN(Cc2nccn2C)CC1 69878810 VRQLUIBAOLFIDW-UHFFFAOYSA-N 341.459 1.163 0 40 EDAB COC(=O)N[C@@H](C(=O)OC[C@H]1CN(CC(C)C)CCO1)C(C)C 69948727 CALOEOFOUWJGHS-ZIAGYGMSSA-N 330.425 1.267 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cccn2CCc2ccccc2)CC1 69902218 RWKIMOOTESYIND-QGZVFWFLSA-N 341.455 1.869 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 69951544 FZNBDCHDKWAFLJ-INIZCTEOSA-N 328.416 1.401 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2O)CCO1 72075783 XTHQIZLCDRLTBW-QGZVFWFLSA-N 340.379 1.309 0 40 EDAB C[C@H](CN1CCN(C)CC1)NC(=O)NCc1cc(F)cc(F)c1 95389631 LZSWJDGMCDFUHX-GFCCVEGCSA-N 326.391 1.400 0 40 EDAB Cc1cc(CCC(=O)NCCS(N)(=O)=O)ccc1Br 84086352 OSFLUVIHUQJSGA-UHFFFAOYSA-N 349.250 1.095 0 40 EDAB O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1n[nH]c(=O)[nH]1 95430464 LAJQZFNLZVIIBO-ZDUSSCGKSA-N 342.330 1.787 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 95417391 GYVJMJDRKUTCCE-UONOGXRCSA-N 344.333 1.866 0 40 EDAB CCN(Cc1ccc(Br)s1)C(=O)[C@@H]1COCCN1 88370412 DFACVNQQTYXNSJ-JTQLQIEISA-N 333.251 1.848 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N(C[C@@H](C)O)C1CCCCC1 95972865 BOWOBYWFFQQCCS-LLVKDONJSA-N 329.466 1.741 0 40 EDAB CC[C@@H](C)NC(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 9914218 XXRQSEQADNXBPJ-SSDOTTSWSA-N 337.401 1.673 0 40 EDAB CCOc1ccc(CNC(=O)N2CCCN(C(C)=O)CC2)cc1F 75133496 MDOZNVKDJSJRQE-UHFFFAOYSA-N 337.395 1.988 0 40 EDAB O=C(COc1cccc(C(F)(F)F)c1)N1CCN(CCO)CC1 75568065 ALSIVRSMZGLBDX-UHFFFAOYSA-N 332.322 1.221 0 40 EDAB CCn1ccnc1[C@@H]1OCC[C@H]1NC(=O)N1CCc2ncncc2C1 1548453373 SJATWMLZZGEEII-HUUCEWRRSA-N 342.403 1.291 0 40 EDAB CC(C)COC[C@H](C)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 69935258 CNDNALRTYHGALG-DLBZAZTESA-N 341.496 1.801 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 60319555 BYOYBLLIUWVYCM-UHFFFAOYSA-N 332.400 1.835 0 40 EDAB 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6107020 GRETUVQPNFBHKZ-UHFFFAOYSA-N 340.408 1.927 0 40 EDAB O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 106654130 WDFCDDWHYPLIOZ-KFWWJZLASA-N 329.400 1.502 0 40 EDAB Cc1cc(NC(=O)NC[C@@H](CN(C)C)[C@H](O)c2ccccc2)n(C)n1 43432643 VQCQNJDJJSRLID-DOTOQJQBSA-N 345.447 1.761 0 40 EDAB O=C(NC1CC1)[C@@H]1C[C@H]2OCC[C@H]2N(CCOCc2ccccc2)C1 107710927 NJPVUTPDOFOTOT-BHIYHBOVSA-N 344.455 1.961 0 40 EDAB COc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)cc1 25290141 BTOKKQLYXBRKGX-UHFFFAOYSA-N 327.384 1.857 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)COCc2ccccc2Cl)CC1 71871301 LWRIZLPDVZGBDI-CYBMUJFWSA-N 326.824 1.382 0 40 EDAB O=C(NCc1ccco1)c1cccc(CN2CCN(CCO)CC2)c1 55897531 XRLALUGRVBFMIX-UHFFFAOYSA-N 343.427 1.320 0 40 EDAB CCOC(=O)[C@@H]1C(=O)CC(=O)[C@H](C(=O)OCC)C1[C@H]1CC=CCC1 104154669 LOOXMNQJBANMLJ-RJPYNODJSA-N 336.384 1.859 0 40 EDAB COc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 44347380 BDXNQUYXEIWWJI-CQSZACIVSA-N 340.445 1.325 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C[C@H](O)COc1cc(C)ccc1Cl 108469361 AYLPBTQFOSNCNS-ZFWWWQNUSA-N 340.851 1.989 0 40 EDAB C[C@H](c1ccccc1Cl)N1CCN(C(=O)Cn2cncn2)CC1 44705074 LLDVWKADXALENE-CYBMUJFWSA-N 333.823 1.837 0 40 EDAB CCc1c(C(=O)CN2CCC[C@@H](NC(C)=O)C2)[nH]c(C)c1C(C)=O 58173278 UUPYJWOFDHDNFA-CQSZACIVSA-N 333.432 1.871 0 40 EDAB O=C1CC2(CCCC2)C(=O)N1C[C@H](O)COc1ccc2c(c1)OCO2 58159090 CTAHEOYJLQKFDT-LBPRGKRZSA-N 347.367 1.474 0 40 EDAB O=C(C1CC1)N1CCC(NS(=O)(=O)c2cccc(F)c2F)CC1 58265700 KWGINYGAPJIYLD-UHFFFAOYSA-N 344.383 1.644 0 40 EDAB COCCOc1cc2c(cc1COC(=O)c1cnn(C)c1C)OCO2 58289926 DHOQXQFYTZIABI-UHFFFAOYSA-N 348.355 1.839 0 40 EDAB C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)CN1CCN(C)CC1 71853878 ZAAMFTYCWNZQDN-AWEZNQCLSA-N 342.443 1.141 0 40 EDAB C[C@@]1(c2ccsc2)NC(=O)N(C[C@H](O)COc2ccccc2)C1=O 58341270 JZNPIKUVBQZBJK-GUYCJALGSA-N 346.408 1.955 0 40 EDAB CCNC(=O)CN1CCCN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 58380099 MZYNDGMKTAUZEP-DOTOQJQBSA-N 335.492 1.895 0 40 EDAB COC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC(F)(F)F)cc1 58363730 PVVCEQOJTYRJDU-SNVBAGLBSA-N 341.307 1.739 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNC1CCN(C(=O)c3ccco3)CC1)CN2 58331254 JQJUVDLZEQWKDS-AWEZNQCLSA-N 343.431 1.721 0 40 EDAB CC(C)(C)NC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 3337578 HAOIHEXZECWRPW-UHFFFAOYSA-N 348.808 1.059 0 40 EDAB COCCN1C[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)CC1=O 45265543 JOKRRNJGUDURPJ-SFHVURJKSA-N 344.455 1.963 0 40 EDAB CCNC(=O)C(=O)NCCOc1ccccc1Cc1ccccc1 59417452 KPECDMQOGSVBEY-UHFFFAOYSA-N 326.396 1.909 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1 28914332 GISOKRVGSSEKOS-ZDUSSCGKSA-N 335.381 1.814 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCCN(C[C@H]2CCCO2)CC1 46047841 PGYVMMNPZNNHTF-MRXNPFEDSA-N 346.427 1.785 0 40 EDAB CN(C)c1cc(CNC(=O)N2CCN(Cc3ccco3)CC2)ccn1 46285755 VYEGTGVHRAELMT-UHFFFAOYSA-N 343.431 1.768 0 40 EDAB COc1ccc(OC)c(N2C[C@@H](C(=O)NC[C@@H](C)N(C)C)CC2=O)c1 46271793 GTVDJRNBSJIMRW-OLZOCXBDSA-N 349.431 1.123 0 40 EDAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCCN(C(N)=O)CC2)cc1 60363742 HBMYCYJKVPCMPA-ZDUSSCGKSA-N 339.461 1.975 0 40 EDAB COc1ccc(C(=O)N[C@H](C(=O)NC[C@H]2CCCO2)C(C)C)cc1 3456246 JEEVVQOMSWRZQO-CVEARBPZSA-N 334.416 1.745 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)c1cc2ccccc2oc1=O 47121866 BWGBTCKOAKZCIR-UHFFFAOYSA-N 347.334 1.699 0 40 EDAB COCc1cccc(CNC(=O)CSc2nnnn2C2CC2)c1 47201923 NHRTUTNWRXYAND-UHFFFAOYSA-N 333.417 1.563 0 40 EDAB CN1CCCN(C[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)O)CC1 71288242 AGYSRFRDEHVBKQ-CYBMUJFWSA-N 335.404 1.059 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)OC[C@H](O)COC(C)C)CC2=O)cc1 95454632 KTWLHQMEFAFLCM-GDBMZVCRSA-N 335.400 1.677 0 40 EDAB Cc1nnc2n1CCN(C(=O)CCc1cnn(-c3ccccc3)c1)C2 71185509 UXZOETOGMDGGJV-UHFFFAOYSA-N 336.399 1.747 0 40 EDAB Cc1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1C 9053788 YBDWKWZKOYHJDL-UHFFFAOYSA-N 325.372 1.776 0 40 EDAB CCCc1nnc(NC(=O)Cn2nnc3ccccc3c2=O)s1 9025580 JATCONWIASRBCI-UHFFFAOYSA-N 330.373 1.234 0 40 EDAB CCN1C(=S)N(c2ccccc2Cl)[C@@H]2CS(=O)(=O)C[C@H]21 13734358 CXNBRJMFMQGCSA-VXGBXAGGSA-N 330.862 1.932 0 40 EDAB COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 14153189 SKLBDRLEIRPEBY-UHFFFAOYSA-N 334.397 1.921 0 40 EDAB O=C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 14121342 FFUZZZIXDUJSON-GFCCVEGCSA-N 344.367 1.002 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H]1CN1CCCCC1 65604241 LYTKEGACRCUQNM-MRXNPFEDSA-N 333.480 1.926 0 40 EDAB CCN(CC)[C@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccco1 65622387 DQUNMEZOTREWOB-ZIAGYGMSSA-N 342.461 1.604 0 40 EDAB CCS(=O)(=O)N1CCc2c(cccc2NC(=O)NCCOC)C1 66173458 PXQVZIQZVAAWSD-UHFFFAOYSA-N 341.433 1.162 0 40 EDAB O=C(COC(=O)c1ccccn1)Nc1ccccc1N1CCOCC1 4710883 BAXHNUSTQHXZQF-UHFFFAOYSA-N 341.367 1.714 0 40 EDAB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)cc(-n2cccn2)n1 23144303 OHHJSKXVSHLFNY-UHFFFAOYSA-N 338.371 1.526 0 40 EDAB CCS(=O)(=O)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1 9304182 GHLZJWMIDPMKFO-UHFFFAOYSA-N 341.414 1.522 0 40 EDAB O=c1c2ccccc2ncn1CCS(=O)(=O)N1CCCCCCC1 9384947 NOFYHLSHECDZIV-UHFFFAOYSA-N 349.456 1.992 0 40 EDAB O=C1c2ccccc2C(=O)N1CCS(=O)(=O)c1ccc(F)cc1 15081024 BINVIWDVHSGALT-UHFFFAOYSA-N 333.340 1.896 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)c1c[nH]nc1-c1ccc(F)cc1 9318883 YYJOUSGBJWJIPA-UHFFFAOYSA-N 348.334 1.607 0 40 EDAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)NC(=O)c1cccs1 7041637 ITXDVQSMMJCYKX-FOSCPWQOSA-N 349.408 1.943 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 7137087 NGHOBNSJZOSXFQ-SWLSCSKDSA-N 329.400 1.775 0 40 EDAB COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3cnnn3C)C2)c1 93871234 QCYABRSXZFOVMH-CYBMUJFWSA-N 331.420 1.543 0 40 EDAB COC(=O)Nc1ccccc1C(=O)NC[C@H]1CN(CC(C)C)CCO1 71903726 VBHHEHCUAGEJNF-AWEZNQCLSA-N 349.431 1.952 0 40 EDAB CCC(=O)NC[C@H](O)COc1ccc(I)cc1 67175062 TUSVGNDSTZHPGL-JTQLQIEISA-N 349.168 1.557 0 40 EDAB COC[C@H](C)N1C[C@@H](C(=O)Nc2nc3c(s2)CCCC3)CC1=O 8235298 ZBPQXPYKINDJNC-QWRGUYRKSA-N 337.445 1.844 0 40 EDAB Nc1nc(N)nc(COC(=O)c2ccc(Br)cc2F)n1 8261208 HKYBDUBFNRPECL-UHFFFAOYSA-N 342.128 1.295 0 40 EDAB CC1CCN(C(=O)CN(C)C[C@@H](O)COCc2ccccc2)CC1 70007905 VCVVSUHCWUKAPJ-GOSISDBHSA-N 334.460 1.754 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2csc(-c3nc[nH]n3)n2)c1 70003913 KWOCDUSATMINQN-NSHDSACASA-N 343.416 1.738 0 40 EDAB O=C(Cc1csc(N2CCCNC2=O)n1)Nc1ncccc1O 69325956 JRUPDTVCMNAHCR-UHFFFAOYSA-N 333.373 1.345 0 40 EDAB O=C(CCc1cccs1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 96432212 DQCIPEGNFQPDLY-NSHDSACASA-N 339.442 1.876 0 40 EDAB Cc1nc(C)c(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)s1 69443415 XEICJSKSGXLLRS-UHFFFAOYSA-N 333.461 1.842 0 40 EDAB COc1ccc(CNC(=O)[C@@H](C)N2CCc3cnc(C)nc3C2)cc1 69443575 ZAQQYXOSJGVJOC-CYBMUJFWSA-N 340.427 1.857 0 40 EDAB c1ccc(-c2noc(CN3CCO[C@@H](Cn4cccn4)C3)n2)nc1 69451595 DDTPFZSKDLQNNY-CYBMUJFWSA-N 326.360 1.229 0 40 EDAB Cc1ccc([C@@H](O)CN2CCN(Cc3nccn3C)CC2)cc1C 69534836 ITKPTCQKISCKSN-SFHVURJKSA-N 328.460 1.888 0 40 EDAB COC(=O)c1cccc(CCNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 91704214 TWCZQKIHHVFOHS-XJKSGUPXSA-N 345.443 1.940 0 40 EDAB C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)N1c2ccccc2C[C@@H]1C 69653601 KXTSGCDLPOAKRP-KCQAQPDRSA-N 325.416 1.549 0 40 EDAB CN1C[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1=O 69629302 RHGKRPNBXPFCMA-ZBFHGGJFSA-N 333.407 1.385 0 40 EDAB CN(Cc1ccccc1)C[C@@H](O)CN1CCC[C@@H]1Cn1cncn1 69657882 WZMSVXJUALYVCH-QZTJIDSGSA-N 329.448 1.235 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1nnnn1-c1ccccc1)C2=O 17652467 OLNJVFZDAOQHGX-YVEFUNNKSA-N 340.387 1.663 0 40 EDAB CN(C)CCN(CCN(C)C)C(=O)CCCNC(=O)OC(C)(C)C 69743573 WBKVOHRXEFZXFO-UHFFFAOYSA-N 344.500 1.243 0 40 EDAB O=C(CS(=O)(=O)Cc1ccn(-c2ccccc2)n1)NC1CCCC1 69779388 PIFMXYAWPPBUPD-UHFFFAOYSA-N 347.440 1.846 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1 69870644 LTKWRPVXXWMXDB-LBPRGKRZSA-N 333.363 1.619 0 40 EDAB CC(C)c1nnc2n1CCN(C[C@@H](O)CN(C)Cc1ccccc1)C2 69842471 YJYNSBYKYQOXCZ-KRWDZBQOSA-N 343.475 1.710 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 69951545 FZNBDCHDKWAFLJ-MRXNPFEDSA-N 328.416 1.401 0 40 EDAB CCCNC(=O)NC(=O)CNC1(C(=O)OC(C)(C)C)CCCC1 69978646 LXMLEOTZWVLGMS-UHFFFAOYSA-N 327.425 1.466 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2csc(-c3ccccn3)n2)CC1 71871402 AAZBDWMUBFNXML-GFCCVEGCSA-N 332.429 1.344 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H](C(N)=O)c1ccccc1)C2 71846773 AJVSEJFKHLIHQC-RHSMWYFYSA-N 340.379 1.589 0 40 EDAB C[C@@H](CCc1ccccc1)NC(=O)Cn1cc(C(=O)O)ccc1=O 98063842 JTEXJOUFWJPJRX-ZDUSSCGKSA-N 328.368 1.684 0 40 EDAB CC(C)c1cc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n[nH]1 97014712 WLOKOZVGLUZOLQ-UHFFFAOYSA-N 349.416 1.524 0 40 EDAB O=C1C[C@H](C(F)(F)F)N(S(=O)(=O)c2cccs2)CCN1 97048792 ATVHXNZJDXPRGF-SSDOTTSWSA-N 328.337 1.190 0 40 EDAB O=C1NCCCC[C@@H]1N1CCN(C(=O)c2cc3ccccc3o2)CC1 72297834 SWNDQRSYCLSADW-HNNXBMFYSA-N 341.411 1.859 0 40 EDAB O=C(Nc1cccnc1)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408977904 YZZAGBZORXBDKG-UHFFFAOYSA-N 345.318 1.925 0 40 EDAB Cc1cnn(C[C@H](C)NCc2sc(N3CCOCC3)nc2C)c1 72267376 DKFBIAGRKNRMLS-ZDUSSCGKSA-N 335.477 1.971 0 40 EDAB COC(=O)C[C@@H](NC(=O)CSc1ccccc1Cl)C(=O)OC 72245342 JCSRROFBSZIXOM-SNVBAGLBSA-N 345.804 1.653 0 40 EDAB CC(C)(C)c1n[nH]cc1CNC[C@@H]([C@H]1CCOC1)N1CCOCC1 97159495 WHHQTGURASUZFH-HOCLYGCPSA-N 336.480 1.534 0 40 EDAB CN1CCCc2ccc(S(=O)(=O)Nc3nc4ccccn4n3)cc21 97143791 OYOOFVZPGRSXFA-UHFFFAOYSA-N 343.412 1.913 0 40 EDAB Cc1n[nH]c([C@H]2CN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CCO2)n1 72300112 CQRIAWLZDXJZIM-IINYFYTJSA-N 340.387 1.484 0 40 EDAB O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2cnc[nH]2)CC1 95982277 HFEWISFFNNMQNI-UHFFFAOYSA-N 340.836 1.570 0 40 EDAB COc1cccc([C@@H]2[C@H](C(=O)Nc3nncs3)CC(=O)N2C)c1 72405852 IGXDKNLIFSNIHB-DGCLKSJQSA-N 332.385 1.705 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN2CCOC[C@H]2C)cc1Cl 95948167 ZIDZYSOYROHMDU-GFCCVEGCSA-N 332.853 1.647 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@H](O)c2ccc(F)cc2)c(=O)[nH]1 75111326 WQBDEWQFUMAVRD-HNNXBMFYSA-N 333.363 1.664 0 40 EDAB CC(C)c1ccc(OCCNC(=O)CN2CCN(C)C[C@@H]2C)cc1 89939013 MWMTWWRGSINXRP-INIZCTEOSA-N 333.476 1.941 0 40 EDAB Cc1cc2c(cc1S(=O)(=O)NCc1cccnc1)OCC(=O)N2 20491593 LIWCQFGJBIWWCU-UHFFFAOYSA-N 333.369 1.199 0 40 EDAB COc1ccc(C(C)=O)cc1CN1CCCN(CC(=O)N(C)C)CC1 24675596 SZUMGBUYTULTAA-UHFFFAOYSA-N 347.459 1.494 0 40 EDAB OCc1ccc(CNC2(Cc3cc(-c4ccccn4)on3)COC2)o1 67898256 YNFLRDHVPSYBIZ-UHFFFAOYSA-N 341.367 1.923 0 40 EDAB biogenic,in-vitro CCC[C@@H](C)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC)cc1 408588920 DCKYNYQPWSWMGP-VXGBXAGGSA-N 328.434 1.667 0 40 EDAB C[C@H](NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1ccncc1 32808750 WDTZEDUFFMFTJF-ZDUSSCGKSA-N 344.415 1.904 0 40 EDAB Cc1c(CC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2c(C)c(O)ccc12 11865451 AICIEIJWUGXNPC-OAHLLOKOSA-N 347.367 1.883 0 40 EDAB biogenic O=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)c1cccs1 77264208 DOIRSSYMZFBGNI-FMKPAKJESA-N 332.425 1.396 0 40 EDAB biogenic,in-vitro CO[C@@]1(C)C[C@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1(C)C 74943677 LFANRMHCNVNUHT-YOEHRIQHSA-N 336.436 1.705 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 218361109 ALTLFUHJDWQDSJ-IAGOWNOFSA-N 330.453 1.839 0 40 EDAB Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN2C(CO)CO)n1 72384858 YRWBBVRVDQEICC-AWEZNQCLSA-N 344.419 1.117 0 40 EDAB Nc1c(C(=O)N2CCCC2)nsc1C(=O)NCc1ccccc1 62006775 KERYYFDBEIYORF-UHFFFAOYSA-N 330.413 1.891 0 40 EDAB C[C@H](COc1ccccc1)OC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 78442347 WCSMUERNTIUGOY-ZIAGYGMSSA-N 341.429 1.669 0 40 EDAB O=C(NCCC1=CCCCC1)c1c[nH]c(=O)n(Cc2ccco2)c1=O 75172507 GEWCDEPNWHJTFB-UHFFFAOYSA-N 343.383 1.798 0 40 EDAB O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCS[C@@H](c2cccs2)CC1 219509234 CIWVPWNLPRPPMU-LLVKDONJSA-N 337.426 1.445 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CC[C@H](Oc2ccncc2)C1 120633201 AERSCCKBCPVSIL-INIZCTEOSA-N 336.355 1.351 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(C[C@@H](O)c3cccc(F)c3)C2=O)cn1 72914591 CLCAQSATNXIHQA-UKRRQHHQSA-N 331.347 1.210 0 40 EDAB CC(C)[C@H](C(=O)NCCCN(C)C)S(=O)(=O)C1CCCCC1 79351879 XIMTUKCCFMSCOG-OAHLLOKOSA-N 332.510 1.826 0 40 EDAB C[C@@]1(Br)C[C@H]1C(=O)N1CCC[C@H](CN2CCOCC2)C1 529293133 OGBFWXVGXXXIMF-VNHYZAJKSA-N 345.281 1.731 0 40 EDAB CC[C@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1ccc(COC)cc1 569020492 CYPMLOMCQJYRPT-KBPBESRZSA-N 327.402 1.707 0 40 EDAB Cc1nc2cc(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)ccc2s1 44441044 OKFGGGPDDQOWBQ-UHFFFAOYSA-N 330.369 1.471 0 40 EDAB CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226860370 NHIBALBYWNSQNN-UHFFFAOYSA-N 330.365 1.785 0 40 EDAB Cc1cccc(N2CCN(CCNC(=O)NC[C@@H](C)O)CC2)c1C 225497293 VERRTLYIQQSIDM-OAHLLOKOSA-N 334.464 1.105 0 40 EDAB C[C@H]1CCn2ncc(C(=O)NCc3cccc(S(N)(=O)=O)c3)c2C1 571923107 KZRNSTRVPFQEIF-NSHDSACASA-N 348.428 1.043 0 40 EDAB CC(C)N(C)S(=O)(=O)N[C@H](c1ccccc1F)c1nccn1C 40539422 JEDNIQIIBLUJEI-CQSZACIVSA-N 340.424 1.823 0 40 EDAB CCCCn1c(N)c(N(C)Cc2csc(CC)n2)c(=O)[nH]c1=O 43611121 LUMIOGVNLXFVEP-UHFFFAOYSA-N 337.449 1.574 0 40 EDAB O=C1[C@@H]2CCN(c3ncccn3)C[C@@H]2OCCN1c1ccsc1 96107143 CTSXDTVPPIGFBA-KGLIPLIRSA-N 330.413 1.796 0 40 EDAB O=C(CC1CC1)N1CCCn2nnc(CNc3ncccn3)c2C1 96259503 NZNYBHXOEUAZOK-UHFFFAOYSA-N 327.392 1.213 0 40 EDAB COCCn1c2c(ccc1=O)C[C@H](NC(=O)c1ccsc1)CC2 96067620 WCVGNMSRZZPCSE-CQSZACIVSA-N 332.425 1.844 0 40 EDAB COCC(=O)N[C@H]1COCCC12CCN(Cc1cccc(C)n1)CC2 96216996 PMDLRIBYVDMEAB-KRWDZBQOSA-N 347.459 1.524 0 40 EDAB COc1ccccc1[C@@H](C)NCC(=O)NC(=O)NCc1ccco1 95544252 LQAGGNYDGKFLDX-GFCCVEGCSA-N 331.372 1.965 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c1 96025789 ZMOYVCYKIUJEGF-GFCCVEGCSA-N 349.334 1.149 0 40 EDAB C[C@@H]1CCCN1C1CCN(C(=O)CN(C)[C@@H]2CCSC2)CC1 96487013 RKRWISZLPPQKMZ-GDBMZVCRSA-N 325.522 1.899 0 40 EDAB CC(=O)NCC(=O)N1C[C@@H](C)[C@@]2(CCN(c3ccsc3)C2=O)C1 96201796 GCBHVYPIWPIGBE-BDJLRTHQSA-N 335.429 1.086 0 40 EDAB Cn1nc(C2CC2)nc1CN1CCCNC(=O)[C@@H]1Cc1ccccc1 579586738 HWYSAOSFAKBGRO-INIZCTEOSA-N 339.443 1.626 0 40 EDAB CN(C)C(=O)N1CCC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96225037 KXLOMVAXIVRCAQ-MRXNPFEDSA-N 331.376 1.313 0 40 EDAB Cc1csc(C[C@H]2OC[C@H]3CN(C(=O)c4ncccn4)CC[C@H]32)n1 96217977 QCFCMKOADIRZQP-MGPQQGTHSA-N 344.440 1.961 0 40 EDAB c1ccc(CN2CCO[C@]3(CCCN(c4ncccn4)C3)C2)nc1 96226460 KIJGXAHJTQXXAH-GOSISDBHSA-N 325.416 1.743 0 40 EDAB CCOC[C@@H]1CN(C(=O)[C@H]2CCCO2)Cc2nnn(CC3CC3)c21 96045628 AHJZWKGZOHIKPI-DZGCQCFKSA-N 334.420 1.329 0 40 EDAB Cc1nc(CN2CC[C@H]3CO[C@H](CNC(=O)C4CC4)[C@H]3C2)cs1 96185465 NAPKYZFNYHDCGS-CWRNSKLLSA-N 335.473 1.815 0 40 EDAB O=C([C@H]1CCC2(CCN(c3ncccn3)CC2)CO1)N1CCCC1 96224932 TYTHZBPHQBKDPD-OAHLLOKOSA-N 330.432 1.865 0 40 EDAB CC(C)(NS(C)(=O)=O)C(=O)NCCc1csc2ccccc12 96426243 HBMQJKJKNSAAIW-UHFFFAOYSA-N 340.470 1.888 0 40 EDAB NC[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242648599 RDDKBKLXRXKVJK-OAGGEKHMSA-N 336.844 1.936 0 40 EDAB Cc1cc([C@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)nc(C)n1 257320670 VXWPYNBSZZOSCM-MRXNPFEDSA-N 342.399 1.314 0 40 EDAB CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN2CC(N)=O)n1 257287700 PRDFIGCOOGFPRB-OAHLLOKOSA-N 325.416 1.832 0 40 EDAB Cn1nccc1CN1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 257276515 NUBUHAGYIWGCET-GOSISDBHSA-N 336.399 1.846 0 40 EDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)Cc2c[nH]cn2)n1 257318056 VMHGTVDDUMLSAI-INIZCTEOSA-N 327.388 1.347 0 40 EDAB CNc1cncc([C@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)n1 257338995 YZUJCBQYSXGYNU-CQSZACIVSA-N 339.465 1.079 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCO[C@H](c2cnccn2)C1 257227600 FQAZAFSGNXRGEO-HNNXBMFYSA-N 327.340 1.462 0 40 EDAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(Cc2cccnc2)C3)n1 253600887 CDZPHJDKBIIYDM-MRXNPFEDSA-N 326.400 1.992 0 40 EDAB COC(=O)C1(COc2ccccc2C(=O)NCCCN(C)C)CC1 585122867 DDOZGHXPIQJWAE-UHFFFAOYSA-N 334.416 1.700 0 40 EDAB CCc1cc(NC(=O)Nc2cccc(Cc3nn[nH]n3)c2)n(C)n1 585119988 DXAFXCSQOPYUAW-UHFFFAOYSA-N 326.364 1.730 0 40 EDAB Cc1cncc([C@@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)n1 257231127 GFJRRWFKVQWXRX-CQSZACIVSA-N 336.399 1.936 0 40 EDAB O=C1CO[C@@H]2CCN(C(=O)c3ccccc3C(F)(F)F)C[C@@H]2N1 257263130 LOOGFBZTORZQBQ-NWDGAFQWSA-N 328.290 1.435 0 40 EDAB CNC(=O)[C@]1(C)CN(Cc2cccc(Br)c2)CCO1 257219661 DHPLVDAFPRQVJY-AWEZNQCLSA-N 327.222 1.786 0 40 EDAB Cc1nc(C(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)co1 257285571 PHUVXIMMSSPEMU-INIZCTEOSA-N 334.351 1.278 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257281464 OPHXYEOWNJCKJC-CYBMUJFWSA-N 331.376 1.067 0 40 EDAB CNc1cccc([C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)n1 257248568 JEGLVTVPADTNLG-CQSZACIVSA-N 334.401 1.281 0 40 EDAB CN(C)c1ncc(CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)n1C 277539875 ZBPDXHHGMLUWNP-KXBFYZLASA-N 340.427 1.843 0 40 EDAB Cc1cc(C)n(-c2cncc(N3CCN(C)[C@@]4(CCOC4)C3)n2)n1 1615589457 HPWSHNNTVGXVCM-KRWDZBQOSA-N 328.420 1.190 0 40 EDAB CN(CC1CC1)c1nnnn1C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 1616036129 HIOWNXPYCZTDEU-GOEBONIOSA-N 344.467 1.336 0 40 EDAB c1ccc(N2CCO[C@@H](CN3CCC(n4cncn4)CC3)C2)cc1 1615054323 CQDGCJLXDYVSGQ-SFHVURJKSA-N 327.432 1.820 0 40 EDAB Cc1noc(C)c1CNC(=O)c1cn(C[C@H](O)c2cccs2)nn1 390829423 YODJYHKGWRPMAT-ZDUSSCGKSA-N 347.400 1.608 0 40 EDAB Cc1nc(CN2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)cs1 585177736 PIRXKLZUDFUARH-JTQLQIEISA-N 326.447 1.568 0 40 EDAB CNc1cnc(C(=O)N2CC[C@H](Cc3ccc(C)cc3)[C@H](O)C2)nc1 585278845 HOIHCKMRPLGZON-NVXWUHKLSA-N 340.427 1.892 0 40 EDAB COc1ccc(CCC(=O)N2CC(Nc3cnccn3)C2)c(OC)c1 824573098 MFVBVVPJOYPQIM-UHFFFAOYSA-N 342.399 1.749 0 40 EDAB Cc1ccc([C@@H](NC(=O)CN2CCO[C@H](CN(C)C)C2)C2CC2)cc1 69979430 VUPNUXHCRMMSDN-UYAOXDASSA-N 345.487 1.825 0 40 EDAB Cc1nn2c(=O)cc(Cn3cccc(C(F)(F)F)c3=O)nc2s1 44040302 FABCALLYVFWCGH-UHFFFAOYSA-N 342.302 1.688 0 40 EDAB O=C(CCNc1cc(C(F)(F)F)nc2ncnn12)N1CCCCC1 52427392 ZTJKIMKGVZHLEB-UHFFFAOYSA-N 342.325 1.958 0 40 EDAB Cc1n[nH]c([C@H]2CN([C@H](C(=O)NC(C)C)c3ccccc3)CCO2)n1 76048650 TXJIXWBRPXYRJN-CVEARBPZSA-N 343.431 1.752 0 40 EDAB Cc1ccc(C(=O)/N=c2\[nH]c3ccc(Br)cc3[nH]2)c(=O)[nH]1 76067316 YIRICUZHPBJMGC-UHFFFAOYSA-N 347.172 1.996 0 40 EDAB CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cnc(C)nc1N 547311262 RKNJPFRMQHXYRJ-CQSZACIVSA-N 325.416 2.108 0 40 EDAB CO[C@@]1(CNS(=O)(=O)c2cccc(C(C)=O)c2)CCSC1 96097665 YMLGULCZJXSWTA-CQSZACIVSA-N 329.443 1.690 0 40 EDAB Cn1c(CN2CC3(CC(=O)N(CC4CC4)O3)C2)nc2ccccc21 1549166209 BJEJPJCTDCSZOD-UHFFFAOYSA-N 326.400 1.702 0 40 EDAB CSc1ncc(Br)c(=NCCN2CCOCC2)[nH]1 1889078041 VNXLTLWFFMJFCC-UHFFFAOYSA-N 333.255 1.127 0 40 EDAB CC[C@@H]1CN(C(=O)c2cccc(C)c2)[C@H](CO)[C@@H]1CN1CCOCC1 1772594973 MAZDVVRAOGSARC-BHIYHBOVSA-N 346.471 1.786 0 40 EDAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)NC1CC1 5861415 VKJOYCJMXKIXTF-UHFFFAOYSA-N 346.456 1.886 0 40 EDAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OCC 5006645 YGAKPWWRDMHOGH-XYOKQWHBSA-N 348.355 1.550 0 40 EDAB COc1cc(/C=C/C(=O)O)c(Br)cc1OCC(N)=O 13747666 NAWSRSWIOOSAJW-NSCUHMNNSA-N 330.134 1.420 0 40 EDAB CCN(CC)CCCNS(=O)(=O)c1ccc(CNC(C)=O)cc1 14228474 UEQWIZDMAIDCNM-UHFFFAOYSA-N 341.477 1.333 0 40 EDAB COc1ccccc1C(=O)NCc1nnc(-c2cnc(C)cn2)o1 19239264 YVHDVYVFMQYSGW-UHFFFAOYSA-N 325.328 1.774 0 40 EDAB O=C(c1cccc(F)c1)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 19293510 RRBUCRCAWGXMPT-CYBMUJFWSA-N 326.375 1.891 0 40 EDAB COc1ccc(OC[C@@H](C)NC(=O)Cn2c(C)cc(C)nc2=O)cc1 19572350 QTBAMGRGCBDKLV-CYBMUJFWSA-N 345.399 1.452 0 40 EDAB COc1ccc([C@@H](C)CCNC(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 152104158 UTMJSTUEQTUMME-ZFWWWQNUSA-N 346.431 1.608 0 40 EDAB O=C1[C@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100376686 DAWJZTJNMMPJLJ-JUFZMCDQSA-N 339.269 1.511 0 40 EDAB Cc1cc(C(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)c(C)o1 575607311 SHTWUGXTWVUYII-UHFFFAOYSA-N 344.419 1.678 0 40 EDAB CN1CC2(C[C@@H]3CC[C@H](C2)N3c2ccnc(C3CC3)n2)OCC1=O 1888853335 GOPHYDCHVZWMHF-UUVAVEHKSA-N 328.416 1.713 0 40 EDAB Fc1cncnc1N1CCN(c2ncnc3c2ncn3C2CC2)CC1 1888897302 ROXGCXUPPNJQOR-UHFFFAOYSA-N 340.366 1.417 0 40 EDAB O=C(Nc1nnn[nH]1)c1ccc(F)cc1I 118685711 CXRCXYKUZZTESF-UHFFFAOYSA-N 333.064 1.196 0 40 EDAB O=C(c1cncnc1)N1CC[C@H]2C[C@]21C(=O)Nc1cccc(F)c1 2056224888 DCQCAPGYRZMPGX-YVEFUNNKSA-N 326.331 1.859 0 40 EDAB COc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2=O)ccn1 1775973307 MJZZBZOPXDMHNY-UHFFFAOYSA-N 343.358 1.647 0 40 EDAB CC(C)[C@@H](N)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 12089001 ZVRMPUDBLPLPRN-MRXNPFEDSA-N 330.432 1.373 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CCc2nc([C@H]3CCNC3)ncc2C1 19333386 VZWPEKLIYYBREM-AWEZNQCLSA-N 340.402 1.820 0 40 EDAB O=C(NC[C@]1(O)CCOc2ccccc21)c1ccc2c(c1)OCO2 75158101 DLACZFXATLVZMX-GOSISDBHSA-N 327.336 1.815 0 40 EDAB O=C(Nc1cccc2cn[nH]c12)c1ccc(S(=O)(=O)NC2CC2)o1 30601400 QZJXLCKTRSFQSK-UHFFFAOYSA-N 346.368 1.849 0 40 EDAB CC(C)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)N1CCOCC1 40489109 GGMFTSVOJTZRET-HNNXBMFYSA-N 344.411 1.880 0 40 EDAB COc1ccccc1CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 31738332 UGHMZGNZYSXHHD-UHFFFAOYSA-N 340.383 1.208 0 40 EDAB COc1ccc(C(N)=O)c(OS(=O)(=O)c2ccc(F)cc2)c1 21473800 HAZRHDPXLYSGQZ-UHFFFAOYSA-N 325.317 1.701 0 40 EDAB Cc1cc(N2CCC(CC(N)=O)CC2)n2nc(C(F)(F)F)nc2n1 52391778 NNVUOUCYCKVXGE-UHFFFAOYSA-N 342.325 1.543 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)COc2ccc(Br)cc2F)C1 41127371 HIYXASOHFHLTDS-QMMMGPOBSA-N 345.168 1.301 0 40 EDAB C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C[C@H](C)O1 32855941 RLIUPGWQIQPCPE-QWRGUYRKSA-N 347.458 1.107 0 40 EDAB CCOC(=O)/C=C/c1ccc(NC(=O)CN2CCC(O)CC2)cc1 22060656 AYAALZPHNSALJW-VMPITWQZSA-N 332.400 1.658 0 40 EDAB O=C(/N=c1/ccccn1Cc1ccccc1)[C@H]1CC(=O)N(C2CC2)C1 104079822 GHWRRTJZFJTGMK-XMMQZVGTSA-N 335.407 1.975 0 40 EDAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4ccon4)CC3)nn2)n1 78451354 LMRQQIPDWRTFJJ-UHFFFAOYSA-N 339.403 1.589 0 40 EDAB CCCS(=O)(=O)NC1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 54338500 KXIDXMUNCRUKBX-AWEZNQCLSA-N 345.509 1.181 0 40 EDAB Cc1nc(NC(=O)C[C@H]2CCS(=O)(=O)C2)ccc1Br 78949531 KDKNNIQIDDAHAQ-SECBINFHSA-N 347.234 1.916 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C(=O)CCc3cscn3)C2)n[nH]1 78901612 XQYFQLSPJUTXRZ-JTQLQIEISA-N 333.417 1.304 0 40 EDAB CN1CCCc2ccc(S(=O)(=O)Nc3nc4ncccn4n3)cc21 79061520 KXZWTOZCYNPQDN-UHFFFAOYSA-N 344.400 1.308 0 40 EDAB O=C(NC[C@@H]1COCCO1)c1nn(-c2ccc(F)cc2)c2c1CCC2 54613878 SEEOVLXCORNVCF-CQSZACIVSA-N 345.374 1.645 0 40 EDAB CCn1cc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2O)c(C)n1 2728356 JXVYLHDWFPOOSF-UHFFFAOYSA-N 337.401 1.963 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 6224573 CLOBCEQTIQHMIN-UWVGGRQHSA-N 348.852 1.930 0 40 EDAB CC1(C)[C@]2(C(=O)N3CCN(c4ccccn4)CC3)CC[C@@]1(C)C(=O)O2 6744133 XVVOQKHMLHQNNO-RBUKOAKNSA-N 343.427 1.852 0 40 EDAB COCC(=O)N1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 47994339 XPUYLGRLNPHSEY-UHFFFAOYSA-N 333.363 1.771 0 40 EDAB O=C(CN1CCC[C@H](c2ccn[nH]2)C1)N1CCO[C@@H]2CCCC[C@@H]21 106901865 YAUCXAQHTGNCHI-BHYGNILZSA-N 332.448 1.759 0 40 EDAB NC(=O)C1CCN(C(=O)CN2CCC[C@H]2Cc2ccccc2)CC1 25359302 MOKRRASXJKTHCP-KRWDZBQOSA-N 329.444 1.417 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1Cc1ccc(F)cc1 55999281 SRINCPCFSRRRGJ-ZFWWWQNUSA-N 325.405 1.794 0 40 EDAB CN1N=C(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)CCC1=O 55945106 DMBJNVJNOYZTLX-HOCLYGCPSA-N 333.363 1.770 0 40 EDAB CCc1nn2c(=O)cc(COC(=O)Cc3ccccc3)nc2s1 8605608 SWOIWKHAXHTWIW-UHFFFAOYSA-N 329.381 1.999 0 40 EDAB C[C@H](NC(=O)NCCNc1ccccn1)c1nnc2ccccn12 43783787 LKOYRHPKVLTOCS-LBPRGKRZSA-N 325.376 1.597 0 40 EDAB C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)Nc1cc(F)ccc1F 25972814 OWIJMRWKAXIMGN-VIFPVBQESA-N 342.342 1.997 0 40 EDAB CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 100342928 GZJXQUIAUKSDDS-FQUUOJAGSA-N 331.324 1.456 0 40 EDAB CCN1CC[C@@H](CNC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)C1 107893101 UCOBYZQOVNRBAN-AWEZNQCLSA-N 346.431 1.675 0 40 EDAB O=C1C[C@@H](N2CCCC[C@@H]2CCO)C(=O)N1c1ccc(F)c(F)c1 104346304 GQPJOMGRXBUZNH-IAQYHMDHSA-N 338.354 1.834 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cnc1Cl 108127580 ICGVSLJRKWLAMY-NWDGAFQWSA-N 347.868 1.119 0 40 EDAB O=C(CN1C(=O)C[C@]2(CCc3ccccc32)C1=O)NCC(F)(F)F 96004447 LJQPHWPSHNMBIK-HNNXBMFYSA-N 340.301 1.308 0 40 EDAB C[C@H](CNC(=O)N1CCO[C@@H](CCc2ccccc2)C1)[S@](C)=O 96013836 KKIURBDBZOLFFB-KKAKJJSRSA-N 338.473 1.797 0 40 EDAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCN(CCO)CC1 75572778 VKGYBQNRMBTVJA-MRXNPFEDSA-N 332.444 1.642 0 40 EDAB CC(=O)N1CCCN(C(=O)[C@H](c2ccccc2)N2CCCC2)CC1 57827686 ZOOSMQVOCXXQFD-SFHVURJKSA-N 329.444 1.904 0 40 EDAB O=c1cc(CSc2ncccn2)[nH]c2nc(C(F)(F)F)nn12 9935982 ITJFOKKQVPWBNF-UHFFFAOYSA-N 328.279 1.519 0 40 EDAB CC(=O)N1CCCN(C(=O)COCc2nc3ccccc3s2)CC1 48253415 HKXUUMKXQIEZKW-UHFFFAOYSA-N 347.440 1.894 0 40 EDAB Cc1cc(C(=O)NCC(C)(C)N2CCOCC2)c2c(C)noc2n1 48265544 RVVDQGOTJNUQOK-UHFFFAOYSA-N 332.404 1.680 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NC[C@H]1CCOC1 48286990 WZPYOWZOBGPEPT-CHWSQXEVSA-N 340.445 1.829 0 40 EDAB O=C(NCCc1cccc(F)c1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 12773742 LGWYGJLBQLAECH-UHFFFAOYSA-N 327.315 1.328 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 58157724 MHZJOIXNGNSVNO-MRXNPFEDSA-N 344.411 1.531 0 40 EDAB O=C(CCn1cncn1)NCCCC(=O)Nc1ccc(Cl)cc1 58158122 GQWPRKDWDXPBKJ-UHFFFAOYSA-N 335.795 1.857 0 40 EDAB Cc1cccc(OCC(=O)NCCC(=O)NCc2cccnc2)c1 58266241 YIPGTFAPTKTJIA-UHFFFAOYSA-N 327.384 1.592 0 40 EDAB CN1N=C(C(=O)NC2CCN(CC3CCCCC3)CC2)CCC1=O 58264778 CMZKCDBBWJHGPT-UHFFFAOYSA-N 334.464 1.756 0 40 EDAB CN(C)c1cc(CNC(=O)NCc2ccc3c(c2)OCCO3)ccn1 44915987 CVTRSJHXYLHHPW-UHFFFAOYSA-N 342.399 1.918 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)NCC(C)(C)CN(C)C)cc1 3376710 YDNJEXUGUBAGPQ-UHFFFAOYSA-N 342.461 1.729 0 40 EDAB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccnc(-n2ccnc2)c1 58329634 JXSVLAXZKUVGHS-OAHLLOKOSA-N 347.378 1.803 0 40 EDAB Fc1ccc(CN2CCCN(Cc3nnnn3C3CC3)CC2)cc1 45003232 OOJAIDTWHWFGKT-UHFFFAOYSA-N 330.411 1.855 0 40 EDAB Cc1ccc(-c2nc(CN3CCO[C@@H](Cn4cncn4)C3)no2)cc1 75132067 DQWYOIYTMAQLMC-OAHLLOKOSA-N 340.387 1.538 0 40 EDAB CCc1nc2n(n1)C[C@H](NC[C@H](O)c1ccc3c(c1)OCCO3)CC2 75131389 KSCMCCNSLMJXKU-KGLIPLIRSA-N 344.415 1.250 0 40 EDAB COCCNC(=O)[C@@H]1CCC[C@]12CCN(Cc1cn(C)nc1C)C2 108531961 SYBDUMTWVVUHHZ-FUHWJXTLSA-N 334.464 1.483 0 40 EDAB C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1CCCCCC1 12847116 KALHHILTXYWYPR-ZDUSSCGKSA-N 343.387 1.610 0 40 EDAB Nn1c(SCC(=O)OCc2ccccc2)nnc1-c1ccncc1 2776614 RRJJSJDZGRBRRZ-UHFFFAOYSA-N 341.396 1.889 0 40 EDAB CCn1nccc1CNC(=O)c1cc2ncc(Br)cn2n1 2791751 NBFVAEILRRJWHK-UHFFFAOYSA-N 349.192 1.638 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)NCC(=O)N2CCCCC2)c1 46823085 UEEFXQJTNHZPHK-AWEZNQCLSA-N 334.416 1.729 0 40 EDAB COC(=O)C(C)(C)NS(=O)(=O)c1ccc2oc(=O)ccc2c1 46800602 WPCLSRTVIQUQMA-UHFFFAOYSA-N 325.342 1.023 0 40 EDAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N[C@@H]3CCCCNC3=O)c12 47172514 BIPHZGNWDCYHAC-CYBMUJFWSA-N 343.431 1.799 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)c1cccc(OCc2cscn2)c1 12917052 LFQLTWKQHPUHIJ-NSHDSACASA-N 333.413 1.977 0 40 EDAB O=C(O)CNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 12979921 ATCHTPUCKKRCIH-UHFFFAOYSA-N 338.414 1.634 0 40 EDAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NCCN1CCOCC1 12916570 SRJKCGOSEGCJCO-VOTSOKGWSA-N 326.400 1.334 0 40 EDAB CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2OC)c1 13096286 CKZOSFZWARUMDW-UHFFFAOYSA-N 348.424 1.923 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2nc[nH]c(=O)c2c1 63829100 SHCIKGHUMSZLSM-UHFFFAOYSA-N 347.334 1.272 0 40 EDAB biogenic O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc2c(c1)OCO2 13570167 TYEYVZUEZNYYNW-UHFFFAOYSA-N 337.335 1.511 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2cc(C)on2)cc1 6083422 SYDHWALBNOZLBC-VMPITWQZSA-N 344.323 1.965 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)Nc2cccnc2)C(N)=O)cc1 65465358 RQVYLIFPMWJPAQ-AWEZNQCLSA-N 342.399 1.946 0 40 EDAB c1nc2c(c(N3CCOCC3)n1)CN(Cc1nc(C3CC3)no1)CC2 65513543 DMSVPBZQYMQICA-UHFFFAOYSA-N 342.403 1.132 0 40 EDAB CC(C)CNC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1F 65531289 LSIVNSHJFHYSLI-LBPRGKRZSA-N 346.449 1.662 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2CCCO)C1 65515016 MQBPGQQVFGRTRN-LSDHHAIUSA-N 326.437 1.025 0 40 EDAB CCn1nnnc1SCC(=O)NCCc1c[nH]c2ccccc12 14182258 XZTOKBBGPBDZTM-UHFFFAOYSA-N 330.417 1.625 0 40 EDAB COc1cccc(OC)c1C(=O)N[C@H]1N[C@@H](C(=O)O)C(C)(C)S1 4553411 SXSPMOIXMWGNIR-SMDDNHRTSA-N 340.401 1.285 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)c2cccc(CS(C)(=O)=O)c2)cn1 71796952 HSVIASJRQKOVIS-MRXNPFEDSA-N 347.440 1.942 0 40 EDAB COC(=O)c1c(NC(=O)NC[C@@H](C)O)sc2c1CC(C)(C)OC2 6758925 NXZKBLBNOJKIRO-MRVPVSSYSA-N 342.417 1.888 0 40 EDAB O=C(O)[C@H]1CS[C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)N1 62712272 XXSLJOJLGNERDO-ZJUUUORDSA-N 335.303 1.813 0 40 EDAB CC(=O)c1cccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 7037999 IZONGCHKJUKJJD-UHFFFAOYSA-N 345.380 1.325 0 40 EDAB COc1cc(-c2nnc(SCCC(N)=O)o2)cc(OC)c1OC 7139880 ZEZNGLPUHFKDSW-UHFFFAOYSA-N 339.373 1.730 0 40 EDAB NC(=O)CSCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 71821597 CVNIJAFEHRCZLT-LBPRGKRZSA-N 328.821 1.458 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1c(C)nsc1NC)C2 71860259 KHEAFDKWLBAKSC-UHFFFAOYSA-N 332.433 1.914 0 40 EDAB COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cc(OC)ccc1OC 8132742 PBPDNJWMZISWFS-LBPRGKRZSA-N 345.417 1.570 0 40 EDAB CCc1nnnn1-c1ccccc1NC(=O)NCc1nccn1C 83834454 XGHOLRNFARRTKD-UHFFFAOYSA-N 326.364 1.280 0 40 EDAB O=[S@](CCNS(=O)(=O)CCc1ccccc1)c1ccccc1 71909876 GGBMZEOWLJTRKO-NRFANRHFSA-N 337.466 1.956 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3ccnc(-n4cncn4)c3)C2)c1 70036988 LTBMCUNSSAQILH-OAHLLOKOSA-N 337.387 1.645 0 40 EDAB COC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)c2cccs2)c(O)c1 71914166 XVQNMWRCVHKLOW-VIFPVBQESA-N 348.380 1.997 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)Nc1ccc2c(c1)CCN2C(C)=O 71904956 MQYOFQPPKLCMGX-OAHLLOKOSA-N 346.431 1.878 0 40 EDAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 8324726 QMPVLKDGZGQXRJ-MRXNPFEDSA-N 339.399 1.970 0 40 EDAB C[C@@H](NC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CCCO1 69459404 NTGSOQWSERCFOC-UTUOFQBUSA-N 330.450 1.980 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 69562318 SJDXDXUUCJYBQA-OSAQELSMSA-N 340.420 1.751 0 40 EDAB Cc1cc(C)n(CC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)n1 17732447 NZTFINIFANUELA-UHFFFAOYSA-N 343.339 1.257 0 40 EDAB O=C1COc2ccc(C(=O)N3CCC[C@@H]3Cn3cccn3)cc2N1 69811364 ZJWNAVMLRBOSPM-CYBMUJFWSA-N 326.356 1.519 0 40 EDAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(F)cc1 8656772 SAWNXHCYXDLFGR-UHFFFAOYSA-N 327.319 1.421 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NCCOc2cccc(C)c2)c1 8777738 ONUKQUYQISEHBG-UHFFFAOYSA-N 348.424 1.712 0 40 EDAB CCS(=O)(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 306124923 CCGJTKIKQDSOFK-LSDHHAIUSA-N 327.450 1.182 0 40 EDAB O=C(C1CCN(c2ncnc3[nH]cnc23)CC1)N1CCCCCC1 9059622 NATDXMQAHFPGPO-UHFFFAOYSA-N 328.420 1.972 0 40 EDAB Cc1ccc(OCCN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)cc1 84157201 IDQRBVANDJXNGT-GOSISDBHSA-N 331.416 1.779 0 40 EDAB Oc1cc(C(F)(F)F)nc(CN2CC[C@](O)(C(F)(F)F)C2)n1 97021882 XWNMATVGTRFZLM-SECBINFHSA-N 331.216 1.700 0 40 EDAB Cc1ccccc1[C@@H](O)CNC(=O)NCCNC(=O)C1CCCC1 72281224 AWQCGVLBORHHNO-INIZCTEOSA-N 333.432 1.634 0 40 EDAB CCn1ncc2c1CCC[C@H]2NCc1ccc(OCC(N)=O)cc1 72298373 PMMJPESAZMHKEG-MRXNPFEDSA-N 328.416 1.934 0 40 EDAB COc1ccc(CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 72274017 ZGARWGKOPOOKMF-WBVHZDCISA-N 333.432 1.400 0 40 EDAB COc1nc(N2CCCCCC2)nc(N2CCC[C@H]2C(=O)N(C)C)n1 84483168 KLAQNQDUCHQEAH-ZDUSSCGKSA-N 348.451 1.318 0 40 EDAB O=C(c1ccccc1-n1cnnn1)N1CCO[C@H](c2ccccc2)C1 73923179 TWPCVUUJIWLFSV-KRWDZBQOSA-N 335.367 1.876 0 40 EDAB Cc1ccc(Br)cc1C(=O)N1CCO[C@@H](C(=O)O)C1 87741968 DPRLDIYGNKIWHX-LLVKDONJSA-N 328.162 1.683 0 40 EDAB O=C(O)CCCCCCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 89797747 NQYHVPVXBPHHJW-ZDUSSCGKSA-N 336.388 1.779 0 40 EDAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cncc(O)c1 95395210 NJBNXYZFIDCLTO-UHFFFAOYSA-N 325.324 1.689 0 40 EDAB CC(=O)N(Cc1noc(C2CC2)n1)[C@H]1CCN(Cc2ccncc2)C1 84671372 XDTBKZUSEXPSBC-INIZCTEOSA-N 341.415 1.965 0 40 EDAB C[S@](=O)CCCNc1nc2ccccc2nc1N1CCOCC1 95978525 OFEWWFDMBDXQSD-HSZRJFAPSA-N 334.445 1.647 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)OC[C@H]1Cc2ccccc2O1 95966346 PXNBAQGZTYECJQ-CQSZACIVSA-N 336.347 1.943 0 40 EDAB COc1ccc(/C=C/C(=O)N2CCOC[C@H]2C[C@H](C)O)c(OC)c1 95944616 OUWIJHTUESCNPP-KSLFURFDSA-N 335.400 1.715 0 40 EDAB CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc(O)cc2F)CC1 95993630 ZSFJDTZMKQWPKA-UHFFFAOYSA-N 344.408 1.417 0 40 EDAB CCCCn1nnnc1CN1CCC[C@@H](c2ccnc(COC)n2)C1 89955434 FHLABELPKZYYNL-CQSZACIVSA-N 345.451 1.789 0 40 EDAB Cn1cc([C@@]2(C)CN(C(=O)c3ccc4[nH]cnc4c3)CCO2)cn1 89919553 QFUXVIWTRRMPPW-QGZVFWFLSA-N 325.372 1.684 0 40 EDAB C[C@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1cccs1 9950920 BLDLTNHSNSNGHW-JTQLQIEISA-N 329.381 1.629 0 40 EDAB COc1ccccc1OS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 32755054 UKBUGKKHVJEIFJ-UHFFFAOYSA-N 342.394 1.866 0 40 EDAB O=C(c1csc(-n2cccc2)n1)N1CCN(c2ncccn2)CC1 38679099 UJYPWKVBWVFEKZ-UHFFFAOYSA-N 340.412 1.686 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)C[C@H]2CCC[C@H](C)C2)CC1 69870672 WEKWHVSREODNKT-YESZJQIVSA-N 326.481 1.744 0 40 EDAB CCOC(=O)c1cc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)[nH]c1C 556145774 QRVXZVPCGKDUFR-OCCSQVGLSA-N 342.461 1.945 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](N[C@@H](C(N)=O)c2ccc(F)cc2)C1 78923940 HGMIXWGCQZYMET-UONOGXRCSA-N 337.395 1.951 0 40 EDAB CN(C)c1ccc(Cc2c(N)nc(N3CCOCC3)nc2N)cc1 38884098 UVFWKFDWLDFYLE-UHFFFAOYSA-N 328.420 1.134 0 40 EDAB CN(Cc1ccco1)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241656 LKUAQDWARACAMO-IAGOWNOFSA-N 346.358 1.976 0 40 EDAB NC(=O)CN1CCO[C@H](COc2ccccc2Br)C1 217496512 UKEJGEJEUYMQBN-JTQLQIEISA-N 329.194 1.014 0 40 EDAB Cn1cc(S(=O)(=O)N2CC[C@@H](Cc3cnc4[nH]ccc4c3)C2)cn1 72367675 VUNZRUPWWIADCJ-LBPRGKRZSA-N 345.428 1.550 0 40 EDAB CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1F 77845509 AUVONRNLFVHSQG-GLEZIHRCSA-N 332.322 1.956 0 40 EDAB Cn1nnnc1SCC(=O)OCc1cc(-c2ccc(F)cc2)on1 36662587 OZQQKZRJKOGOIM-UHFFFAOYSA-N 349.347 1.840 0 40 EDAB CCCCNS(=O)(=O)c1ccc(NCCCOC)c(C(=O)O)c1 217550173 KNEIAQKLGCBFAW-UHFFFAOYSA-N 344.433 1.912 0 40 EDAB CC(C)(C)c1ccc(OCCNC(=O)CN2CCC(=O)NC2=O)cc1 78776468 DRVWMECMRYQORO-UHFFFAOYSA-N 347.415 1.421 0 40 EDAB CCOC(=O)N1CCC(OC(=O)[C@H]2CCCN(C(=O)OC)C2)CC1 78445837 DUYFDAZUZNLVEU-LBPRGKRZSA-N 342.392 1.629 0 40 EDAB C[C@H]1CN(c2ncc3c(n2)CN(C[C@@H]2CCCO2)C3=O)C[C@@H](C)O1 46087061 XKOWQOAPRIFBIG-XQQFMLRXSA-N 332.404 1.225 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@H](N2C(=O)COC2=O)C1 225700107 MCNHVQYAAIURRN-KMOQFTEPSA-N 344.323 1.008 0 40 EDAB O=C(Cn1cc(COc2cccc(F)c2)nn1)NCCc1ccco1 227169669 UJCAUVQULGNBLW-UHFFFAOYSA-N 344.346 1.948 0 40 EDAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4ccccn4)CC3)nn2)n1 265571879 LLVVBJCORADJLY-UHFFFAOYSA-N 349.442 1.996 0 40 EDAB COC(=O)c1cn([C@@H]2CCCC[C@H]2OC(=O)[C@@H](C)SC)nn1 195529924 MULSEXVRUDPKCF-YUSALJHKSA-N 327.406 1.843 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H]1CCC[C@H]1c1ccc(Cl)cc1 83613225 JQWJCPGCFGVNIH-STQMWFEESA-N 330.837 1.642 0 40 EDAB CCN1CCC[C@H]1CNC(=O)Cn1cc(-c2ccccc2)ncc1=O 95474920 YRRKSKSSSWAWHA-INIZCTEOSA-N 340.427 1.511 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CCN(Cc3ccccn3)CC2)C1 96157573 YJUDTJSGYGBTER-MRXNPFEDSA-N 329.444 1.933 0 40 EDAB Cc1nnc(N2CCC[C@@]3(CN(Cc4cccnc4)CCO3)C2)o1 96226647 WZDRSBXVVFWQJS-QGZVFWFLSA-N 329.404 1.644 0 40 EDAB CN(C)C(=O)CN1CCC2(CCN(Cc3ccsc3)CC2)C1=O 96046845 GSPYEOLGUXWRKM-UHFFFAOYSA-N 335.473 1.651 0 40 EDAB Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C[C@@H]2CCOC2)n1 96064736 FGVIAPFNXRVEDB-CGTJXYLNSA-N 329.444 1.992 0 40 EDAB CN(C)C(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 96239083 MJIHOWDVCJLYQM-SFHVURJKSA-N 345.399 1.568 0 40 EDAB O=C(Cc1ccccn1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072503 RVPOXTOJXJRTMI-IEBWSBKVSA-N 339.395 1.858 0 40 EDAB C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)CC(=O)NCC(F)(F)F 97235739 MLBKDTDIZDBVID-MFKMUULPSA-N 344.333 1.906 0 40 EDAB CC(C)(C)c1ccc(C(=O)NCC(=O)NCC2OCCCO2)cc1 584908897 PWUABYVQULPWQR-UHFFFAOYSA-N 334.416 1.593 0 40 EDAB CN1CC[C@@]2(COCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 96201935 FOGAWBOYBKHADO-OAHLLOKOSA-N 328.409 1.169 0 40 EDAB CCS(=O)(=O)N1CCc2c(COCc3ccncc3)cncc2C1 96059341 XDUWHPMIKKFQGQ-UHFFFAOYSA-N 347.440 1.901 0 40 EDAB C[C@@H](CCc1cccc(F)c1)C(=O)N1CCN([C@@H](C)C(N)=O)CC1 96431062 XSPVRAMNUVEMSL-KBPBESRZSA-N 335.423 1.412 0 40 EDAB c1cnc(NC[C@H]2OC[C@@H]3CCN(Cc4cccnc4)C[C@H]23)nc1 96185529 ZKYUEHPUEAVBLR-YESZJQIVSA-N 325.416 1.821 0 40 EDAB CCS(=O)(=O)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 96108181 IXKJTINAIQSIPS-GXTWGEPZSA-N 330.475 1.230 0 40 EDAB CN(C)C(=O)N1Cc2nnn(C)c2[C@@H](COCc2ccccn2)C1 96045506 UJXFJMRKDLYHSA-GFCCVEGCSA-N 330.392 1.008 0 40 EDAB CN(C)c1ccc([S@](C)(=O)=NC(=O)[C@H]2CCc3nn[nH]c3C2)cc1 585134461 VBSWNNXHSNCNGI-BUBHHJDNSA-N 347.444 1.659 0 40 EDAB Cn1nccc1C(=O)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 248047354 PWWUFXPNPJEAEK-LLVKDONJSA-N 348.403 1.733 0 40 EDAB Cn1nccc1-c1ccc(C[C@H]2CCCN(S(C)(=O)=O)C2)cn1 257228268 FTFOBXHENSYEOZ-CQSZACIVSA-N 334.445 1.696 0 40 EDAB O=C(c1cc[nH]n1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257287558 PQLPJJHJPXHLEK-ZDUSSCGKSA-N 325.372 1.389 0 40 EDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(CC(=O)N3CCCCC3)C[C@@H]21 257266109 MBPYLWCXQWKMIF-IXDOHACOSA-N 343.475 1.636 0 40 EDAB CCCn1cc(Cl)c(C(=O)N[C@@H]2CC[C@@H](n3ccnc3)[C@@H]2O)n1 257284673 PDTFLPDVLMCPNA-YRGRVCCFSA-N 337.811 1.637 0 40 EDAB O=C(c1cnco1)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 257272048 NAWLHDFKCHVCKE-MRXNPFEDSA-N 342.399 1.879 0 40 EDAB CCCn1cc(CN2CCC3(CC2)CN(C(C)=O)[C@](C)(CO)C3)cn1 257227799 FQYFMGQDDBXKEN-SFHVURJKSA-N 348.491 1.879 0 40 EDAB Cc1cccc(Cl)c1S(=O)(=O)N1CCN(CCC(=O)O)CC1 1607853395 DTHXOVVUEKFZDV-UHFFFAOYSA-N 346.836 1.429 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2cnc(NCCCO)c(Cl)c2)C[C@@H]1C 1615045897 GLFZALKEYNCNSE-QWRGUYRKSA-N 347.868 1.806 0 40 EDAB O=C(O)Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)cn1 647746065 YCBILHZJCRPZLN-ZDUSSCGKSA-N 346.318 1.098 0 40 EDAB CNC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2ccnn21 575405407 HQXLMJDTNJVCNR-CQSZACIVSA-N 348.428 1.073 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]2O1)N1CCC1 585109233 DNDRJBGBJALEKV-CWRNSKLLSA-N 331.416 1.186 0 40 EDAB CO[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)CC[C@@H]1Cc1ccccc1 585281293 VNLDDXJVFPESLC-HZPDHXFCSA-N 349.456 1.688 0 40 EDAB O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CNC2CCCC2)C1 585282221 BVVSETOMQQQXFD-AZUAARDMSA-N 346.471 1.476 0 40 EDAB CO[C@@]1(COc2ccccc2)COCCN(C(=O)c2cnc[nH]2)C1 585277687 WYZNMDOIAHCJSW-QGZVFWFLSA-N 331.372 1.346 0 40 EDAB CC(C)Cc1noc(CS(=O)(=O)Cc2noc(C(C)C)n2)n1 65650542 CVQQEHGIGUIZEO-UHFFFAOYSA-N 328.394 1.890 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)CCO1 43700962 NJZLLVOBVJZKMO-NSHDSACASA-N 334.155 1.684 0 40 EDAB Cc1cc(N2CCC[C@@H](COc3ncccn3)C2)n2ncnc2n1 1776001049 WOHXVKUZJMPQFG-CYBMUJFWSA-N 325.376 1.518 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 56489574 OICSCGMXNQYBMF-BZNIZROVSA-N 347.415 1.733 0 40 EDAB O=C1c2ccccc2S(=O)(=O)NN1CCc1cccc(F)c1F 96009488 XVVQARFIPJXUMI-UHFFFAOYSA-N 338.335 1.857 0 40 EDAB CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C 12393292 CRQDBXCFZYRLAP-YJNKXOJESA-N 326.437 1.909 0 40 EDAB Cn1c(=O)c2cc(C(=O)NCCc3ccccc3)sc2n(C)c1=O 12422717 BYAQKQWRLWYLAF-UHFFFAOYSA-N 343.408 1.271 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1 14048659 VKNCXTXXWOTLCN-NSHDSACASA-N 338.385 1.271 0 40 EDAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 16610277 LZRMJFKVBHGHSD-CYBMUJFWSA-N 340.445 1.765 0 40 EDAB CC(=O)NCC1CCN([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)CC1 18217927 GOHPZXCWENDIBH-KRWDZBQOSA-N 343.427 1.475 0 40 EDAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@H](c2cnccn2)C1 19572151 HRUZIFLWUNRSCK-CQSZACIVSA-N 326.400 1.812 0 40 EDAB Cc1ccccc1-n1cc(C(=O)N2CCN(C)C(=O)C2(C)C)cn1 154213243 OBYNCIKGFKDDPT-UHFFFAOYSA-N 326.400 1.874 0 40 EDAB COC(=O)/C=C(\Sc1nncc(-c2ccccc2)n1)C(=O)OC 4468994 TUSWJTLTVJNPTE-WQLSENKSSA-N 331.353 1.861 0 40 EDAB C[C@@H]1COCCN1CCNc1ccc(C(=O)Nc2ccccc2)nn1 606154699 MNVHXKRJRZDZRG-CQSZACIVSA-N 341.415 1.862 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)Cc2c(C)noc2C)C1 225808248 KBFZTGOEZAZPRN-GFCCVEGCSA-N 332.360 1.312 0 40 EDAB O=C(Cc1ccccc1Br)N1C[C@H]2C[C@H]1CS2(=O)=O 575608821 VPKPMQCSYSXNGC-WDEREUQCSA-N 344.230 1.390 0 40 EDAB Cc1ccsc1C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 575616942 OOGFRZWYAQLBEC-CYBMUJFWSA-N 342.486 1.438 0 40 EDAB COCC(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888853661 IGLCWAIBUAVGJT-HOTGVXAUSA-N 338.411 1.685 0 40 EDAB O=C(NCc1ccccc1)C(=O)NC[C@]1(O)CCCc2sccc21 1889141346 XCDDZQDTOCMBEW-GOSISDBHSA-N 344.436 1.705 0 40 EDAB CN1c2ccccc2N(CCNC(=O)c2ccccc2F)S1(=O)=O 245060686 PVYRVVBWVQRSPA-UHFFFAOYSA-N 349.387 1.757 0 40 EDAB CC(C)N1C[C@@]2(CCN(C(=O)Cc3ccncc3)C2)COCC1=O 2037984934 SDVUYRPVGZHERH-SFHVURJKSA-N 331.416 1.110 0 40 EDAB O=c1cccnn1CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 11856360 ZSFSAPBTAHAPDS-UHFFFAOYSA-N 348.211 1.529 0 40 EDAB COc1ccc(-c2cc(=O)n(CC(=O)NCc3ccco3)cn2)cc1 13807168 OEWHWAGOJPJHQO-UHFFFAOYSA-N 339.351 1.828 0 40 EDAB Cc1nc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NC3CCC3)C2)cs1 2055734570 KKZSRRXXLBXNJB-MBNYWOFBSA-N 335.429 1.350 0 40 EDAB CN(C)C(=O)[C@]1(n2cccn2)CCCN(C(=O)C2CCCCC2)C1 2055771737 SXUTYVOIKWQDDN-SFHVURJKSA-N 332.448 1.869 0 40 EDAB COCC(=O)N1CCO[C@@H]2C[C@@H](COCc3cccc(C)n3)C[C@@H]21 2055729836 SYQLFEORUKKDMN-BHYGNILZSA-N 334.416 1.559 0 40 EDAB O=c1ccc2c(n1CC1CCOCC1)CCN(Cc1cn[nH]c1)CC2 2055773076 SBRBFVNTJYHITK-UHFFFAOYSA-N 342.443 1.599 0 40 EDAB Cc1cnc(C(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)cn1 206973762 VPLGIJAISAWZOG-UHFFFAOYSA-N 329.356 1.730 0 40 EDAB O=C(Cc1ccccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225783581 JNFZKKNMTBCEJM-UHFFFAOYSA-N 337.354 1.961 0 40 EDAB CC[C@@H]1CN(C(=O)CSCC(=O)Nc2cc(C)on2)CCO1 30858411 FOQNNWXXQNFYGU-LLVKDONJSA-N 327.406 1.292 0 40 EDAB O=C(O)[C@@H]1CCCN(C(=O)CCC(=O)N2CCc3ccccc32)C1 20263123 VEKAEOLZGQMZLV-CQSZACIVSA-N 330.384 1.679 0 40 EDAB Cc1cc(N2CCN(CCS(C)(=O)=O)CC2)nc(C(C)C)n1 40468431 VMNJWSPRDNLUAO-UHFFFAOYSA-N 326.466 1.075 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c2ccccc21 40553869 YROWVEKJXBXCPW-JKSUJKDBSA-N 329.400 1.510 0 40 EDAB CC(C)(C)c1nc(CN2CCCC[C@H]2CNS(C)(=O)=O)no1 51734875 HBCHSSATYWPFNN-NSHDSACASA-N 330.454 1.271 0 40 EDAB CCOC(=O)[C@]1(O)CSc2nc3sc4c(c3c(=O)n21)CCC4 249429 WIPZYOHQUNVDHA-CQSZACIVSA-N 338.410 1.261 0 40 EDAB O=C(NCc1ccco1)[C@@H]1[C@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 101943579 DXIBGXRLIIIXPI-JEWRLFTDSA-N 342.395 1.620 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)c2csc3c2CCCC3)CC1 32771059 OGIJGGGLADIXRW-UHFFFAOYSA-N 342.486 1.781 0 40 EDAB O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)N1CCCCCC1 52685079 BLCDVPQCTCSOFX-LJQANCHMSA-N 345.487 1.740 0 40 EDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)(C)N(C)C)c1 41297266 CUNQWWKWFYOQKQ-UHFFFAOYSA-N 341.477 1.363 0 40 EDAB COc1cc(/C=c2/sc3ncnn3c2=O)ccc1OCC(C)C 464869 ASZQFTIOXBFTFT-VGOFMYFVSA-N 331.397 1.742 0 40 EDAB COc1ccc(Nc2ccc3nnnn3n2)cc1OC[C@@H]1CCCO1 42099976 VYYJUUWLNPGHOZ-LBPRGKRZSA-N 342.359 1.829 0 40 EDAB CC(=O)NCCNC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 47859268 VIKQSSZSKIZNSY-UHFFFAOYSA-N 333.367 1.886 0 40 EDAB CC(=O)N1CCN(Cc2ccc(OCc3nccn3C)cc2)CC1 42743260 YYCPVHDRNNTAKM-UHFFFAOYSA-N 328.416 1.663 0 40 EDAB CN(CCOc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCCNC1=O 105611579 DWMUXWMXUBJQSV-MRXNPFEDSA-N 331.416 1.551 0 40 EDAB COC(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O 3903509 VWSSGGXGLTVPHH-ZJOBFFGXSA-N 338.331 1.212 0 40 EDAB CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)CO[C@H]12 4235754 GRWLSHIKKXWEQW-GBJTYRQASA-N 334.372 1.006 0 40 EDAB biogenic,in-vitro CCNC(=O)[C@@H](C)NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 48097339 ACBPMRHIUOPXTH-CYBMUJFWSA-N 346.431 1.959 0 40 EDAB Cc1cc(NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n(C)n1 43435153 XZRXPNXQOCIJPH-JTQLQIEISA-N 337.405 1.259 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N(C)Cc2cccc(F)c2)C[C@@H]1C 106867976 NRCIFQNQLYLAOP-GJZGRUSLSA-N 337.439 1.171 0 40 EDAB CCCc1nc(NCC(=O)N2CCOCC2)c2c(n1)c(C)nn2CC 57355829 RXICMUATJZGVDS-UHFFFAOYSA-N 346.435 1.378 0 40 EDAB Cc1ccc([C@H]2[C@H](C(=O)NCCCN(C)C)CCC(=O)N2C)cc1 57355917 CFZTZPBRGRWIIC-AEFFLSMTSA-N 331.460 1.972 0 40 EDAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H]1CCN(C)C1=O 89949281 QRMYYPYCDRREHT-LSDHHAIUSA-N 330.432 1.657 0 40 EDAB O=C(COC(=O)[C@H]1CCC(=O)N1)Nc1ccccc1Br 3297025 HLWVOTUEYNPSJS-SNVBAGLBSA-N 341.161 1.209 0 40 EDAB CC1(C)C[C@H](C(=O)N(Cc2n[nH]c(=O)[nH]2)c2ccc(F)cc2)CCO1 95477413 NWKIXBBADOLIGA-LLVKDONJSA-N 348.378 1.976 0 40 EDAB CCCOc1ccc([C@H]2C=C(C(=O)O)Nc3nnnn32)cc1OC 101675753 CHVDIVYYLUBVOE-LLVKDONJSA-N 331.332 1.454 0 40 EDAB Cc1ccc(C)c(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 12617067 COLHARHCVYTBFT-UHFFFAOYSA-N 325.372 1.776 0 40 EDAB Cc1cc(C)n([C@@H]2CCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)n1 75602779 FGRWGNIMWLOZJP-OAHLLOKOSA-N 343.431 1.606 0 40 EDAB O=C(NCCCCn1ccnc1)c1ccc(N2CCOCC2)nc1 58196487 NJXJZGGWJRJPPA-UHFFFAOYSA-N 329.404 1.325 0 40 EDAB C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)N1CCOCC1 58201523 SLHBPDHVYDORAB-JTQLQIEISA-N 345.226 1.899 0 40 EDAB C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2)CC(C)(C)O1 58209441 JHZNXIZWXHPCFP-ZDUSSCGKSA-N 340.445 1.381 0 40 EDAB CCCc1n[nH]c([C@H]2CN(CC(=O)Nc3cc(C)no3)CCO2)n1 76049454 KOWRDKMPQUKWGD-LLVKDONJSA-N 334.380 1.066 0 40 EDAB CN(C)c1ncccc1NC(=O)CNC(=O)NCc1ccccc1 58244752 MIZGWYPYRDOUKH-UHFFFAOYSA-N 327.388 1.586 0 40 EDAB CNC(=O)[C@H]1CCC[C@@]12CCN(S(=O)(=O)Cc1ccccc1)C2 108536484 WYZHERCFLWDPHR-WBVHZDCISA-N 336.457 1.755 0 40 EDAB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccnc(-n2cncn2)c1 58329006 YNJHDHOJDDMHDD-AWEZNQCLSA-N 348.366 1.198 0 40 EDAB COc1cccc(OS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 51134015 GZOOXYWVUVIOJS-UHFFFAOYSA-N 348.380 1.653 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)CSCc1ccncc1 58403553 GVLXCYBWSKUVCT-UHFFFAOYSA-N 325.434 1.956 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1c[nH]c(=O)c(Br)c1 76041544 OQVYCRGCULYCLZ-SNVBAGLBSA-N 344.209 1.028 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1 12918433 UNGFGDNWGMJIOD-UHFFFAOYSA-N 337.445 1.550 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 12925797 SOVUARSUFCUHGL-UHFFFAOYSA-N 347.459 1.056 0 40 EDAB Cc1cccc(Cn2cnc(NS(=O)(=O)c3cnn(C)c3)n2)c1 2804119 BURBLXVRCOHJEL-UHFFFAOYSA-N 332.389 1.169 0 40 EDAB Cc1ccccc1N1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 9114617 FECNKJBYOJJKFY-AWEZNQCLSA-N 337.445 1.014 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F 96004190 UIMRRYSFYBRJOR-VIFPVBQESA-N 338.351 1.302 0 40 EDAB CSCc1nc2ccccc2n1CC(=O)N[C@H]1CCCCNC1=O 65436745 BHSMKKOCJLDSGM-ZDUSSCGKSA-N 346.456 1.684 0 40 EDAB O=C(NCC(=O)N1CCO[C@H](c2ccccc2)C1)OCC(F)(F)F 65515581 RGDDGIZJQIDQKO-LBPRGKRZSA-N 346.305 1.875 0 40 EDAB CCOc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1OCC 4504524 HDCHVUDVNRNLOV-LBPRGKRZSA-N 327.402 1.401 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)Nc1cccc(-n2cnnn2)c1 6661288 WIVMKZQXZPGNLV-UHFFFAOYSA-N 337.339 1.615 0 40 EDAB Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2F)c1=O 6679566 NHJIIONBJLONJD-UHFFFAOYSA-N 333.344 1.540 0 40 EDAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1n[nH]c3ccccc13)CC2 95400725 MQJKJOLNGDEZKN-SJORKVTESA-N 343.427 1.884 0 40 EDAB C[C@H](Sc1nnnn1Cc1ccccc1)C(=O)NC[C@H]1CCCO1 9376876 SFOMQUBVDLNLKB-GXTWGEPZSA-N 347.444 1.497 0 40 EDAB CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccoc2)CC1 306133315 MIDYZRUWCLDEEV-UHFFFAOYSA-N 343.431 1.849 0 40 EDAB COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 7475047 KLIVSLLVMIVQNL-QGZVFWFLSA-N 331.372 1.663 0 40 EDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)N1CCc2ccccc2C1 7692695 SLXLTJFQUIPMFX-SNVBAGLBSA-N 329.429 1.707 0 40 EDAB Cc1cc(N2CCN(C(=O)CN(C)C)CC2)nc(-c2ccccn2)n1 68663021 GQBXUMBSIZLCMO-UHFFFAOYSA-N 340.431 1.057 0 40 EDAB CC(=O)c1ccc(N(Cc2cccc(C(N)=O)c2)S(C)(=O)=O)cc1 68778785 OIHRDOPUMLJYQI-UHFFFAOYSA-N 346.408 1.954 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 8132802 XBXXREIDEMFAEN-HNNXBMFYSA-N 347.392 1.516 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCN(C[C@H](O)C(C)(C)C)CC3)c2n1 70011883 SRHGJEDVHPCWKZ-HNNXBMFYSA-N 345.447 1.203 0 40 EDAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1nc(N)nc(N)n1 9514176 ZJJFISWPKMSJDZ-SECBINFHSA-N 330.417 1.496 0 40 EDAB CCN1CCN(C2CCN(CC(=O)Nc3cccnc3)CC2)C1=O 69491853 BZJYTSBNINJXQY-UHFFFAOYSA-N 331.420 1.242 0 40 EDAB CCc1nc(CN2CCC[C@@H](NCc3nc(C)ccc3O)C2)no1 69562825 XZJVFKBODLWHII-CYBMUJFWSA-N 331.420 1.795 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)OC 69622232 WDTDKCDGPJXQQQ-BZNIZROVSA-N 338.379 1.188 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(-n3cccn3)c(F)c2)CC1 71871528 UGCQFOMKPBZQIN-ZDUSSCGKSA-N 332.379 1.150 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1cnn(-c2ccccc2)c1 71829679 YQZCWJUVGGPTCI-ZFWWWQNUSA-N 326.400 1.527 0 40 EDAB Cc1cnn(CCC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 71841500 JYIAOWWVLDIJHO-CQSZACIVSA-N 332.379 1.181 0 40 EDAB O=C(OCc1cccc2c1OCCO2)[C@@H]1CC(=O)N(CC2CC2)C1 69703852 XZJFRBZPLLEVCD-CQSZACIVSA-N 331.368 1.760 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)c3cn[nH]c3C)CC2)n1 69843675 APTZIFHUBXUASK-UHFFFAOYSA-N 330.392 1.178 0 40 EDAB Cc1ccc2c(CC(=O)N3CCN(CC(C)(C)O)CC3)c[nH]c2c1 69807879 ZIWJHYVYZQJEFO-UHFFFAOYSA-N 329.444 1.934 0 40 EDAB Cc1ccc(NC(=O)CSCC(=O)N2CCC[C@H]2C(N)=O)cc1 69897032 NWJAOZWKAAVOHF-ZDUSSCGKSA-N 335.429 1.143 0 40 EDAB COc1cc(CNC(=O)c2ccc(C)nc2)ccc1OCC(N)=O 71815175 CJWKMXYGXHONSY-UHFFFAOYSA-N 329.356 1.193 0 40 EDAB CC1CCN(C[C@H](O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 71824993 JGGCOKMXBWOQJC-LPHOPBHVSA-N 345.443 1.546 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCN2CCCC[C@@H]2C1 71839944 YIXQVWFNPPBGED-MRXNPFEDSA-N 325.416 1.886 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)OC[C@H]1CN(CC(C)C)CCO1 69948705 OIXRNQCPZGDUIB-CVEARBPZSA-N 340.464 1.678 0 40 EDAB O=C1NCCN1[C@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 71841128 ZMOZCNLDPAGQCI-LBPRGKRZSA-N 333.417 1.788 0 40 EDAB CC1CCN(C[C@@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)CC1 71825028 CRYUGOGHSIUFBO-DYVFJYSZSA-N 335.404 1.139 0 40 EDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(F)c1 8745835 PPILPOCGKKZJSQ-UHFFFAOYSA-N 336.388 1.805 0 40 EDAB CNC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc2c(c1)CCN2C(C)=O 71904955 MQYOFQPPKLCMGX-HNNXBMFYSA-N 346.431 1.878 0 40 EDAB COCCOCC(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 71903775 OVBQVDCYPDZYLL-UHFFFAOYSA-N 348.443 1.298 0 40 EDAB O=C(NCCN1CCS(=O)(=O)CC1)c1cccn1C1CCCC1 95994948 OOUVACFPSDJJNH-UHFFFAOYSA-N 339.461 1.063 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1Cl 97064165 KTBIMTHFANLIES-BDAKNGLRSA-N 333.793 1.880 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC(NC(=O)CC(C)(C)C)CC2)cn1 72294711 MQANZVXDIVLERP-UHFFFAOYSA-N 342.465 1.126 0 40 EDAB NC(=O)c1ccc(OCC(=O)N2CCC[C@@H](n3ccnc3)C2)cc1 72254963 BWMYDOAQOININP-CQSZACIVSA-N 328.372 1.225 0 40 EDAB Cc1noc(COCC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)n1 72299379 YHMHKLYJKVUWOF-LLVKDONJSA-N 335.364 1.765 0 40 EDAB Cc1noc(-c2ccccc2)c1C(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1 97108244 OVFYEAQOYKPVHI-CABCVRRESA-N 327.384 1.805 0 40 EDAB Cc1cccc(C)c1OCC(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 95998088 WVDONWPFQKHNIR-CYBMUJFWSA-N 330.388 1.411 0 40 EDAB CN1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)Cc2ccccc21 75128490 MBBLNEUJPJYYRK-MRXNPFEDSA-N 339.443 1.894 0 40 EDAB Cn1ncnc1CNC(=O)NCCc1csc(-c2ccccc2)n1 89741171 OQAMZTLOINHFDF-UHFFFAOYSA-N 342.428 1.981 0 40 EDAB O=C(NCC(=O)N1CCCC[C@@H]1C(=O)O)c1cc2ccccc2[nH]1 89872985 OYAHMYUPEHNLGF-CQSZACIVSA-N 329.356 1.363 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1ccncc1 43184955 ZIZMRCPBHVTFON-ZFWWWQNUSA-N 326.404 1.901 0 40 EDAB CCOc1nc(N2CCC(O)(c3nccn3C)CC2)ncc1Cl 1548520516 SXMLWOYOJVHZCQ-UHFFFAOYSA-N 337.811 1.750 0 40 EDAB Cc1ccc(NC(=O)C[C@@H]2SC(NC(=N)N)=NC2=O)c(Cl)c1 20673421 QLGHEKOIMMWYIU-VIFPVBQESA-N 339.808 1.458 0 40 EDAB Cc1cnc(NCC[C@H]2CCOC23CN(Cc2cnn(C)c2)C3)nc1 306123415 AMIRGJPAINZQNQ-INIZCTEOSA-N 342.447 1.612 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N(C)CCCOc1ccc(F)cc1 30267737 AWLJMTMUJLXVKM-GFCCVEGCSA-N 325.384 1.761 0 40 EDAB CC(C)OC[C@@H]1CN(C(=O)c2cnn(-c3ccncc3)c2)CCO1 516539276 SHFJJCHJLKOMJW-INIZCTEOSA-N 330.388 1.533 0 40 EDAB Cc1cnc2cc(C(=O)N3C[C@H](N4CCOCC4)C[C@@H]3C)ccn12 516936694 LAPUYZFTNMSGLZ-XJKSGUPXSA-N 328.416 1.578 0 40 EDAB CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)[C@@H]1CCCN1 182513151 MFRBRZRTKUCDMR-OALUTQOASA-N 345.487 1.642 0 40 EDAB CN(C)c1ncccc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 78879551 ASLAYUYHVNSSQR-GFCCVEGCSA-N 334.420 1.887 0 40 EDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CO)cc1 218098813 ALWJDKVZIBLYRE-BRWVUGGUSA-N 333.409 1.325 0 40 EDAB CCCCCNS(=O)(=O)c1ccc(NCCCO)c(C(=O)O)c1 217649139 PTXYEAQUMAVNCZ-UHFFFAOYSA-N 344.433 1.648 0 40 EDAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CC1 217507343 WENIKOKZVHCTRL-UHFFFAOYSA-N 342.417 1.664 0 40 EDAB COc1cccc2c1ccn2CCNC(=O)c1ccc2nnnn2c1 79479580 ZDTLGRJLHFQMKS-UHFFFAOYSA-N 336.355 1.518 0 40 EDAB COc1ccccc1C(=O)N1CCC[C@@H](n2cc(C(=O)O)nn2)C1 565030900 URGNGEVAEZECKX-LLVKDONJSA-N 330.344 1.462 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCSc2nc(C)n[nH]2)c1 225927071 JSKAKPPWNCPBTQ-UHFFFAOYSA-N 326.447 1.801 0 40 EDAB COC[C@@](C)(O)CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 75170453 FMDWELLUSAWBCV-LBPRGKRZSA-N 341.351 1.522 0 40 EDAB COc1ccc2c(c1)OC[C@H]2CC(=O)N1C[C@@H](CO)OC(C)(C)C1 570953228 YEGRHHGTWHVBDO-OCCSQVGLSA-N 335.400 1.560 0 40 EDAB O=C(Cc1cccc(-c2nn3cnnc3s2)c1)N1CCOCC1 41126879 QHKFENZIYMZUBL-UHFFFAOYSA-N 329.385 1.254 0 40 EDAB Cc1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3S(C)(=O)=O)cc1C 225666918 RANYWNXBFHYLBU-MQVJKMGUSA-N 336.457 1.988 0 40 EDAB Cn1nc2c(c1CNS(=O)(=O)c1cccc3cccnc13)CCC2 225818992 YJTMQDNTIKOHNI-UHFFFAOYSA-N 342.424 1.936 0 40 EDAB CC(C)Oc1nccnc1N1CCC[C@](O)(C(=O)N2CCCC2)C1 577778944 JUCFHRLPFXKSFP-QGZVFWFLSA-N 334.420 1.218 0 40 EDAB CCN1CC2(CCN(C(=O)c3cc(C)ccn3)CC2)[C@H](COC)C1=O 96205954 BXNMIBHRCVIODS-OAHLLOKOSA-N 345.443 1.737 0 40 EDAB Cc1noc(C)c1CN1CCC[C@@]2(CCCN2CC(=O)N(C)C)C1 96214882 YNEJUHFUMMLNEC-GOSISDBHSA-N 334.464 1.810 0 40 EDAB COc1ccc(C(=O)N(CC(F)F)C(C)C)cc1-n1cnnn1 97237748 JLIFYWZBIVETHV-UHFFFAOYSA-N 325.319 1.787 0 40 EDAB O=S(=O)(c1c(F)cccc1F)N1CCC(N2CC[C@@H](O)C2)CC1 96099715 HCQFWLQJVPJVEF-GFCCVEGCSA-N 346.399 1.185 0 40 EDAB c1cncc(N2CCOC[C@@]3(CN(Cc4nccs4)CCO3)C2)c1 96049856 UJZBDCJVHJESKA-QGZVFWFLSA-N 346.456 1.646 0 40 EDAB C[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccncc1 96444581 TVFWPZFMKJMASF-MRXNPFEDSA-N 339.443 1.866 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)c2ccc(OCCOC)c(C)c2)C[C@@H]1O 536328140 IMXVUPGVRCXNDI-HIFRSBDPSA-N 343.445 1.412 0 40 EDAB Cc1ccc([C@](C)(O)CNC(=O)c2ccc(-n3ccnc3)nc2)o1 96440233 ZVOBHEBDFOZZQC-QGZVFWFLSA-N 326.356 1.806 0 40 EDAB O=C(NC[C@@H](O)CO)Nc1cc(F)c(Br)cc1F 91186795 DLNMDJMBHXQARN-RXMQYKEDSA-N 325.109 1.202 0 40 EDAB CCOC[C@H]1C[C@]2(COCCN2S(=O)(=O)c2ccccc2)CO1 96240736 OOYXZXBMHKIFJH-ZBFHGGJFSA-N 341.429 1.272 0 40 EDAB CC(C)CN1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 96260821 NYRSBZROHKPJLH-UHFFFAOYSA-N 337.508 1.678 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)N1CCCC1)C2 96039575 SUNSPRBBPFXWNN-SJLPKXTDSA-N 339.480 1.652 0 40 EDAB CCCOc1cccc(CC(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)c1 583617852 ZQWUHMQDCLLUMY-SFHVURJKSA-N 344.415 1.646 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)NC[C@H](C)CN2CCOCC2)c1 96437201 HVXASDSDUXGVQP-INIZCTEOSA-N 342.443 1.879 0 40 EDAB O=S(=O)(C1CC1)N1Cc2cncn2C[C@H](COCC2CC2)C1 96208037 LGQPUDGVTNKWAZ-ZDUSSCGKSA-N 325.434 1.234 0 40 EDAB O=C(O)c1ccccc1-c1cnc(Cn2c(O)nccc2=O)s1 257256392 KLHFVAIHXNPGOF-UHFFFAOYSA-N 329.337 1.819 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CC(Nc3ncccn3)C2)cc1C 253472180 JYQVTKBXUPENLF-UHFFFAOYSA-N 348.428 1.669 0 40 EDAB CNc1cc(C)nc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)c1 257226588 FLGWQABOMKRFFG-KRWDZBQOSA-N 343.431 1.698 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2cc3ccccc3s2)C1 257266853 MEVZGJAFVYSICE-CYBMUJFWSA-N 331.441 1.651 0 40 EDAB O=C(c1ccccc1Br)N1CC(N2C(=O)COC2=O)C1 252538090 MQMWZTJFPVASHW-UHFFFAOYSA-N 339.145 1.252 0 40 EDAB CS[C@@H]1CCC[C@H](NC(=O)NCC2(OCCO)CCOCC2)C1 252504800 VLRHNXCEXFVEBZ-UONOGXRCSA-N 346.493 1.518 0 40 EDAB Cc1cccc(Nc2cncc(C3CCN(C(=O)CO)CC3)n2)n1 257339340 ZBHICTAPPSNOGU-UHFFFAOYSA-N 327.388 1.622 0 40 EDAB CN1C(=O)C2(CCN(c3ncccn3)CC2)C[C@H]1Cc1cccnc1 257232870 GMUFLFKDKOHQTB-MRXNPFEDSA-N 337.427 1.932 0 40 EDAB COc1ccccc1[C@@H]1Cn2ccnc2CN1C(=O)C1CCNCC1 257212030 CBPMUMXHPTYOGB-INIZCTEOSA-N 340.427 1.975 0 40 EDAB Cn1cc(CN2CCOC[C@@H](Cc3ccc4[nH]ncc4c3)C2)cn1 257201667 AIMQFHYXAUPZBQ-HNNXBMFYSA-N 325.416 1.988 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1CCOC[C@H]1CCc1cnccn1 257297444 RHGFDQJXFYJMDT-QGZVFWFLSA-N 343.431 1.311 0 40 EDAB CS(=O)(=O)N1CCC[C@@]12CCN(Cc1cccc(F)c1)C[C@@H]2O 257341397 ZKDRMDKKSKCIOS-HOTGVXAUSA-N 342.436 1.187 0 40 EDAB COc1ccccc1[C@H]1CNCCN1C(=O)Cn1nc(C)cc1C 257221080 DNJZTNQXZMNWTF-MRXNPFEDSA-N 328.416 1.682 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCC(c3ccnc4ccnn34)CC2)n1 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O=C(NCC(=O)N1CCCCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 53073020 FMNFHMXDWSDNRZ-MRXNPFEDSA-N 343.427 1.164 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1Cc1ccco1 40468060 RDZSPJXFEUGHRI-ZDUSSCGKSA-N 336.413 1.663 0 40 EDAB O=C(c1cccc(F)c1)N1CCN(CCCN2CCOCC2)CC1 97727403 AXNFJLSPGRXGCD-UHFFFAOYSA-N 335.423 1.306 0 40 EDAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617793 SGBGUGDDWZJQNP-SFHVURJKSA-N 342.399 1.182 0 40 EDAB CC(C)(C)NC(=O)NC(=O)COC(=O)COc1cccc(Cl)c1 5802080 KXARTOZCGBFZOL-UHFFFAOYSA-N 342.779 1.886 0 40 EDAB CCOC(=O)CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 12086325 UMDURKJREQZTQY-SFHVURJKSA-N 331.368 1.966 0 40 EDAB CCc1ccccc1N1C(=O)C[C@H](N2CCC(C(=O)O)CC2)C1=O 18063716 VUYBDNWHZBMWMB-HNNXBMFYSA-N 330.384 1.678 0 40 EDAB CCc1nc(CNC(=O)c2cc(-c3cnn(CC)c3C)on2)no1 19523179 NPHOWVWFBZZQDW-UHFFFAOYSA-N 330.348 1.742 0 40 EDAB Cc1nn(C)c(C)c1C(=O)N1CC[C@H](Oc2ccc(N(C)C)nn2)C1 225448752 GNXCQCAQMAOTMG-ZDUSSCGKSA-N 344.419 1.186 0 40 EDAB O=C(C1CCOCC1)N1CCc2nc3ccc(F)cn3c(=O)c2C1 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1.662 0 40 EDAB CC(C)N1C[C@@]2(COCC1=O)CN(C(=O)CC1CCCC1)CCO2 2037984805 OJCVKDQWTYCPJN-GOSISDBHSA-N 338.448 1.432 0 40 EDAB O=C(CC1(O)CCC1)N1CCC2(CC1)CC(=O)N(CC1CCC1)C2 2056214933 QMLQOIKQFRCULV-UHFFFAOYSA-N 334.460 1.933 0 40 EDAB CCSC1=NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 2711387 RHTRHCCLRYQCJS-UHFFFAOYSA-N 327.431 1.758 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)Nc1cccc2c1C(=O)NC2=O 4517740 HQPVVCACPIYAFD-UHFFFAOYSA-N 344.348 1.226 0 40 EDAB Cc1nnc(SCC(=O)N(c2ccccc2)C(C)C)n(N)c1=O 4854910 USZIJNVXNMLVSS-UHFFFAOYSA-N 333.417 1.194 0 40 EDAB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2cccs2)cc1C 9571091 OCDTXYXPCBRESW-UHFFFAOYSA-N 349.441 1.819 0 40 EDAB CCCN(CC)C(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713704 ABCJZBORVIEMGF-AWEZNQCLSA-N 332.448 1.940 0 40 EDAB O=C(N[C@H]1CCc2onc(CN3CCOCC3)c2C1)c1ccncc1 2055734556 IXNGPWUZDGBDQQ-AWEZNQCLSA-N 342.399 1.189 0 40 EDAB Cn1cccc1[C@@H](O)CCNC(=O)C(=O)Nc1ccc(F)cc1F 217947748 LUIWQSKGNWQSPV-AWEZNQCLSA-N 337.326 1.482 0 40 EDAB O=C(Cc1noc2ccccc12)NCc1n[nH]c(=O)c2ccccc12 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CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 213356 BTRYRZNMFASUPU-UHFFFAOYSA-N 342.417 1.466 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NCCn3cnnc3C)cc2F)n1 78972082 CSCHHCDQTLREDW-UHFFFAOYSA-N 342.378 1.958 0 40 EDAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCO)ccc1Cl 3209548 QBTZAIMQQUPPKW-UHFFFAOYSA-N 334.825 1.093 0 40 EDAB C[C@H]1CN(C(=O)c2nn(C)cc2I)C[C@H](C)O1 2734371 WGFHSNLGSKIBKK-YUMQZZPRSA-N 349.172 1.274 0 40 EDAB CNC(=O)c1cc2nc(-c3cn(C)nc3C)cc(C(F)(F)F)n2n1 2808055 UYYWQDLYMIBHBA-UHFFFAOYSA-N 338.293 1.817 0 40 EDAB COC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1 2961206 ABDCNXRDSSCYKW-UHFFFAOYSA-N 335.404 1.431 0 40 EDAB COc1cccc([C@H](NC(=O)Cn2cc(C)cn2)c2nccn2C)c1 55075951 XSTDXXVLMOJFBN-KRWDZBQOSA-N 339.399 1.839 0 40 EDAB O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccc2c(c1)OCO2 4196700 OGAMZYSUDWPJEC-YNEHKIRRSA-N 331.372 1.143 0 40 EDAB C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)NC1CCCC1 24977059 ZSVOTMABKZGLEW-IAQYHMDHSA-N 331.368 1.759 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)c1ccc(SC)cc1OC 6612493 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KWFUKSVWQKZQIT-OAHLLOKOSA-N 326.400 1.428 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)c3c(C)noc3C)CC2)OC[C@]1(C)O 257340499 ZGKPFZONYHTFOI-BBRMVZONSA-N 337.420 1.026 0 40 EDAB COc1ccccc1[C@H]1CN(CC(=O)N2CCCC2)CCN1C(C)=O 257311018 UHOWMVMDATYINP-QGZVFWFLSA-N 345.443 1.523 0 40 EDAB Cc1cc([C@H]2CN(C(=O)CCn3ccccc3=O)CCO2)nc(C)n1 257202923 ANWZFIGZWYVGTR-MRXNPFEDSA-N 342.399 1.245 0 40 EDAB CCn1nccc1-c1cc(C[C@@H]2CCN(S(C)(=O)=O)C2)ccn1 257328437 XFQBWWHRTPZNAH-AWEZNQCLSA-N 334.445 1.789 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(Cc3cccc(C(=O)O)c3)CCO2)n1 257244514 ILSMVSCUVFGFSZ-HNNXBMFYSA-N 329.356 1.762 0 40 EDAB COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@H](Cc2ccccc2)C1 271998703 RLMXQLFSOYHRLO-UKRRQHHQSA-N 341.429 1.069 0 40 EDAB C[C@@]1(NC(=O)CCSCc2nc(O)c3ccccc3n2)CCNC1 595991011 FQGUYJCRNPLCIS-QGZVFWFLSA-N 346.456 1.827 0 40 EDAB COC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1ccon1 1615548965 PSIPOFDZPZRZHV-JKSUJKDBSA-N 343.383 1.007 0 40 EDAB Cc1nc(C)n(C2CN(S(=O)(=O)C3CCC(F)(F)CC3)C2)n1 1616039249 ZXJDVPXBFLDWNU-UHFFFAOYSA-N 334.392 1.659 0 40 EDAB CCc1oncc1C(=O)N1CC2(C[C@H](Oc3cnccn3)CCO2)C1 575403761 KFKNAPQXCZYHFV-GFCCVEGCSA-N 344.371 1.480 0 40 EDAB CNc1ncc(CN2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)cn1 585279478 MRTYLFXICOIKPE-NVXWUHKLSA-N 330.407 2.083 0 40 EDAB CC(C)C(=O)N1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 585096179 XCOLDAPUYOPJMJ-HNNXBMFYSA-N 346.456 1.843 0 40 EDAB Cc1nc(CN2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)cs1 585177737 PIRXKLZUDFUARH-SNVBAGLBSA-N 326.447 1.568 0 40 EDAB CN1CCC(C)(C(=O)N2CC[C@](O)(COc3ccccc3)C2)CC1 585276684 OVUGZNYVBHQUBK-LJQANCHMSA-N 332.444 1.761 0 40 EDAB OC1(CNC[C@@]2(O)CCN(c3ccnc4cccnc34)C2)CCCC1 585284504 SUCQWFGJMLVJLB-IBGZPJMESA-N 342.443 1.466 0 40 EDAB C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1nc(C(C)(C)C)cs1 71883411 DGBRTPRNCRAREP-VIFPVBQESA-N 336.417 1.168 0 40 EDAB CN(C)C(=O)CN1CCC[C@H](Cc2ccc(N3CCCC3)nn2)C1 72387299 LFKCXQFMNSNMSG-OAHLLOKOSA-N 331.464 1.420 0 40 EDAB COc1cccc(OCC(=O)N2CCN(CC(F)(F)F)CC2)c1 44448601 GCAOTZOZDPZLDM-UHFFFAOYSA-N 332.322 1.781 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)c1ccco1 40432756 GERMEALOXHONLP-SECBINFHSA-N 332.813 1.248 0 40 EDAB COc1cccc(CC(=O)N2CCNC(=O)C[C@H]2C(F)(F)F)c1 40554185 LSZDXZJIFIBWNZ-LBPRGKRZSA-N 330.306 1.517 0 40 EDAB COC(=O)[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1csnn1 78747952 TVDUAOQOKUAYNT-LLVKDONJSA-N 327.312 1.803 0 40 EDAB Cc1cnc(CN(C)[C@H]2CCN(CC(=O)NCc3cccnc3)C2)o1 84258742 KPBMPWJPRURRBS-INIZCTEOSA-N 343.431 1.201 0 40 EDAB CNS(=O)(=O)c1ccc(CNc2nc3ccccc3c(=O)[nH]2)cc1 97995017 WQJIJGQWUUAKEQ-UHFFFAOYSA-N 344.396 1.443 0 40 EDAB O=C(O)[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccccc1 5604107 CDWIBRCQGDHHBB-DOTOQJQBSA-N 331.368 1.417 0 40 EDAB Cc1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)cc1F 12422749 WGXXPJGVUGZLTM-UHFFFAOYSA-N 347.371 1.999 0 40 EDAB CCOCCCNC(=O)c1cc(N(C)S(C)(=O)=O)ccc1OC 13582957 RVKQELZYNIWUCT-UHFFFAOYSA-N 344.433 1.247 0 40 EDAB O=C1CCCN1CCCNS(=O)(=O)c1ccc(F)c(Cl)c1 14099363 YKFBHJZCXGQARA-UHFFFAOYSA-N 334.800 1.770 0 40 EDAB O=C1NCC2(CCC(NC(=O)[C@H]3CCCO3)CC2)Oc2ccccc21 19374842 BJJXARYRMHMLEY-ZHTDJMBKSA-N 344.411 1.785 0 40 EDAB CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(C)=O)C2 19498834 YURVJLCWCDNJAH-AWEZNQCLSA-N 332.404 1.138 0 40 EDAB COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccccn3)C2)no1 19593555 SCLKXYONSMBJGZ-CQSZACIVSA-N 344.415 1.825 0 40 EDAB CN1CCC[C@@H](c2nnc3n2CCN(C(=O)C2CCCC2)CC3)C1 19709349 YYXMEHFKDKSREE-OAHLLOKOSA-N 331.464 1.662 0 40 EDAB Cc1cnc2c(C(=O)N3CCC(CC(=O)N(C)C)CC3)cnn2c1 19748413 PODMMULXLXGNCQ-UHFFFAOYSA-N 329.404 1.368 0 40 EDAB Cc1nnsc1C(=O)N1CCC[C@@H](Oc2nccnc2N(C)C)C1 225504007 AJUCUSKSLZAIFI-LLVKDONJSA-N 348.432 1.386 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 225808197 JFARJQGQNXMULC-NSHDSACASA-N 330.344 1.644 0 40 EDAB CC(C)Cn1c(N2CCC[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 12232588 VJXUZLHLAPEYFS-LBPRGKRZSA-N 333.436 1.326 0 40 EDAB CC(C)(C)c1ccc(C(=O)NCCOCCN2C(=O)CCC2=O)cc1 575618546 BUXJPUMJMVRBLM-UHFFFAOYSA-N 346.427 1.880 0 40 EDAB C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H](CO)c1nncn1C 585128110 RXEBBCGTOIXAIC-KOLCDFICSA-N 340.836 1.799 0 40 EDAB Cc1cc(N2[C@H]3CC[C@H]2CC2(C3)CN(C)C(=O)[C@H](C)O2)nc(C)n1 1888844144 PIFXSAFDPMGIOV-QEJZJMRPSA-N 330.432 1.841 0 40 EDAB CC(C)c1nc(N2CCN(C(=O)c3cnccn3)CC2)nc(O)c1F 1888849372 CXHIMBWGEJBCNM-UHFFFAOYSA-N 346.366 1.197 0 40 EDAB CCN(CC)S(=O)(=O)N(CC)C[C@H]1COc2ccccc2O1 40039886 OOCYFKZRVXVLJT-ZDUSSCGKSA-N 328.434 1.735 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NCC(C)(C)CN(C)C)CC2=O)cc1 40060217 NLKOSPUWIRKVLH-AWEZNQCLSA-N 347.459 1.752 0 40 EDAB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCc2ccccc21 424202 BVVNEXDQMNFTML-UHFFFAOYSA-N 335.363 1.669 0 40 EDAB O=C(Nc1cc2ccccc2oc1=O)c1nc(-c2cnccn2)no1 42381595 RTMSEJHVAOSRLN-UHFFFAOYSA-N 335.279 1.885 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)c2ccc(F)cc2F)CC1 43979661 DLAOOKOGDUYANA-UHFFFAOYSA-N 332.372 1.366 0 40 EDAB O=S1(=O)CCCN1Cc1nc(-c2ccc(Br)o2)no1 96448210 LIFOIWFPLNKWTD-UHFFFAOYSA-N 348.178 1.628 0 40 EDAB Cc1nn(C)cc1CNc1ccc(S(=O)(=O)NC(C)(C)C)cn1 97096652 KFWUUHXRNBOFBA-UHFFFAOYSA-N 337.449 1.812 0 40 EDAB O=C(CN1CCn2c(nnc2C(F)(F)F)C1)Nc1ccc(F)cc1 150922948 CKLTWKVFIJJSHL-UHFFFAOYSA-N 343.284 1.890 0 40 EDAB CC[C@H]1CN(C(=O)C2CCN(c3ccc(Cl)nn3)CC2)CCO1 30849033 VTKPIVZFUQCRIZ-ZDUSSCGKSA-N 338.839 1.984 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 50720059 JVGHTNGXKUXFKD-CQSZACIVSA-N 332.400 1.836 0 40 EDAB COc1cc(C(=O)NCCNc2cnccn2)cc2c1OCCO2 31598211 GOFPRUNDTYXFTK-UHFFFAOYSA-N 330.344 1.098 0 40 EDAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1nncn1C 40497616 ZFYPDXNRFVLWOI-VIFPVBQESA-N 339.193 1.661 0 40 EDAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn32)cc1 31817058 QWBCDDNZZOFYJI-GFCCVEGCSA-N 328.332 1.067 0 40 EDAB Cc1nc(C(=O)NC[C@H](C2CC2)N(C)C)nn1-c1ccc(F)cc1 40555216 MURDDLNYEUJFAJ-OAHLLOKOSA-N 331.395 1.785 0 40 EDAB CC[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1OC 40539918 AYLNEUYPMCPKKD-WCQYABFASA-N 326.418 1.633 0 40 EDAB O=C(NCCNc1ncccn1)NCc1cccc(OC(F)F)c1 51302153 YSVLNYWWYDZAKN-UHFFFAOYSA-N 337.330 1.989 0 40 EDAB CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(OCCOC)cc1 32072959 CTWNJXOUSLWOBW-CQSZACIVSA-N 344.477 1.720 0 40 EDAB CO[C@]1(C)[C@@H](O)C(=O)C(C)=C2OC(=O)c3c(C)cc(O)c(C)c3O[C@H]21 40785329 KMXWTZIYEQGIFH-LZLYRXPVSA-N 348.351 1.550 0 40 EDAB CCONC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 32795796 VLJJBTKZPKOHRO-SECBINFHSA-N 327.178 1.870 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1nnc2n1CCCC2 41141232 ZCBWMXXKALAEIX-BZNIZROVSA-N 328.372 1.459 0 40 EDAB COC(=O)C[C@@H]1CCCCN1CC(=O)NC(=O)NC1CCCCC1 54394375 UPWQSFNDLJHGGK-AWEZNQCLSA-N 339.436 1.563 0 40 EDAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1n[nH]c(=O)[nH]c1=O 115623 XHIFSJJKANVLIJ-SSDOTTSWSA-N 340.792 1.539 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2c[nH]nc2-c2ccc(C)o2)C1 97235627 CZAFMFNJGBFYCG-ZDUSSCGKSA-N 338.433 1.492 0 40 EDAB O=c1cc(CN2CCN(Cc3nccn3C(F)F)CC2)occ1O 78970617 KIMRKKUESCHTRW-UHFFFAOYSA-N 340.330 1.255 0 40 EDAB COC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)c1ccc(OC)c(OC)c1 1747870 AFQQVRYXOYXHAF-LSDHHAIUSA-N 340.328 1.413 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1cccnc1N1CCCC1 106167233 FWGGONLBPFGHSF-GJZGRUSLSA-N 345.447 1.667 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 6224018 CLOBCEQTIQHMIN-NXEZZACHSA-N 348.852 1.930 0 40 EDAB CCc1nc(CC(=O)NCCC(=O)N2C[C@H](C)O[C@H](C)C2)cs1 55288575 OHIPHQUJOAUPNS-TXEJJXNPSA-N 339.461 1.390 0 40 EDAB CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1 6323039 PCURASYZPGAJPM-UHFFFAOYSA-N 328.434 1.540 0 40 EDAB CCn1c(=O)c2sccc2n(CC(=O)N2CCCC[C@@H]2C)c1=O 6678918 BRPDYQOQQJGROR-NSHDSACASA-N 335.429 1.646 0 40 EDAB CCOCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 6957885 FDCOSIRYEQPEQZ-NSHDSACASA-N 348.852 1.550 0 40 EDAB CC[C@@H](NC(=O)COC)c1ccccc1OCC(=O)N1CCCC1 55596863 CCHJYJHXCMLFQH-OAHLLOKOSA-N 334.416 1.902 0 40 EDAB Cc1ccc(N2CCC[C@H](NC[C@@H](O)COc3ccccc3)C2)nn1 106774519 YYZQPLDAKKWHFQ-DLBZAZTESA-N 342.443 1.783 0 40 EDAB COC(=O)C1(NC(=O)c2c(C)oc3ncn(C)c(=O)c23)CCCCC1 25174812 UEMGQFSYGNSIDM-UHFFFAOYSA-N 347.371 1.441 0 40 EDAB COC(=O)c1ccc(CNC(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1 34873423 OQUUDNNJQUIIAK-MCIONIFRSA-N 334.416 1.587 0 40 EDAB C[C@H](NC(=O)COC(=O)c1cccn1C)c1ccc2c(c1)OCCO2 8269485 OGFMURMDVIUXCU-LBPRGKRZSA-N 344.367 1.831 0 40 EDAB CN(C)c1ccc(CCC(=O)N2CCN(c3cnccn3)CC2)cc1 25343183 FYEVREGFBWRLPL-UHFFFAOYSA-N 339.443 1.824 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(CCCOc2ccccc2)c1 25606275 RKIWWTAENUMEFD-UHFFFAOYSA-N 336.413 1.568 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)CCn1cnc2c(C)cccc2c1=O 48265432 MKCXAOGSNQLCSR-HNNXBMFYSA-N 343.427 1.980 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(OC)cc2)o1 48274933 WHAPCLNHTLIINY-UHFFFAOYSA-N 338.385 1.169 0 40 EDAB Cc1cc(C)n2cc(CN3CCN(C(=O)c4ccco4)CC3)nc2n1 23805152 HLBNKBZWFXVNFL-UHFFFAOYSA-N 339.399 1.897 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)CN(C)c1ccccc1 58265377 NCNPGHUBTDBNAL-GFCCVEGCSA-N 336.461 1.840 0 40 EDAB Cc1ccc(N2C(=O)C[C@@H](N3CCC4(CC3)OCCO4)C2=O)cc1C 20634495 QCPBSWBAASZXIL-MRXNPFEDSA-N 344.411 1.774 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 3309187 ONHKYRAYWNOXDF-CQSZACIVSA-N 347.440 1.245 0 40 EDAB C[C@H]1CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)C[C@@H](C)O1 58343393 NOJQPJPPMSJHBK-BETUJISGSA-N 343.383 1.707 0 40 EDAB Cc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2S(C)(=O)=O)n1 58377845 CTADQFPILDOSNG-OAHLLOKOSA-N 345.424 1.715 0 40 EDAB Cn1c(N)c(C(=O)CSc2ccc(Cl)cc2)c(=O)n(C)c1=O 3351742 CJHWVKCDCRDHOZ-UHFFFAOYSA-N 339.804 1.295 0 40 EDAB CC(C)(C(=O)NCCNC(=O)C1CC1)c1ccc2c(c1)OCCO2 58632860 XNLTXBXYNKMKKN-UHFFFAOYSA-N 332.400 1.378 0 40 EDAB COCCN1C[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1=O 45287184 KWXHYNUHQLUIGZ-GXTWGEPZSA-N 348.399 1.130 0 40 EDAB O=C(NCc1cc[nH]n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 48324767 NYDMVQCQEDCWNK-UHFFFAOYSA-N 341.415 1.372 0 40 EDAB COC(=O)CNC(=O)CSc1nc(C2CC2)nc2ccccc12 10940658 CMJGVNYQQSRQIJ-UHFFFAOYSA-N 331.397 1.889 0 40 EDAB CCOc1ccc(OC[C@@H](O)Cn2nc(-c3ccco3)oc2=O)cc1 12805347 DJCUAMDOWVLLLA-LBPRGKRZSA-N 346.339 1.935 0 40 EDAB CC(C)[C@@H](CNC(=O)CCn1cncn1)N1CCc2ccccc2C1 45457934 IKNJSAMBJWTIRA-GOSISDBHSA-N 341.459 1.867 0 40 EDAB COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2ccco2)n2nnnc2N1 10232501 USDBHHLIMOTKKA-LBPRGKRZSA-N 341.283 1.184 0 40 EDAB C[C@H](NC(=O)Cn1nnc2ccccc21)c1nnc2n1CCCCC2 45897356 AGOFFOWGHTZBTO-LBPRGKRZSA-N 339.403 1.627 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)NCc3ccoc3)cn2)CCO1 45876765 GIRJGRNGMVNITK-ZDUSSCGKSA-N 330.388 1.899 0 40 EDAB CNC(=O)CN1CCC(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)CC1 46449333 KSBTXKGNYSILPP-INIZCTEOSA-N 347.484 1.338 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2ccc(OC(F)F)cc2)n(C)c1=O 60423620 BQJGWNQBPNTOEH-UHFFFAOYSA-N 336.298 1.083 0 40 EDAB O=C(O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 2616990 QJEYDAZODKHMTB-LDWIPMOCSA-N 340.184 1.202 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3cc(C)ccc32)cc1 21721054 OOFSOSFGSUYAKH-INIZCTEOSA-N 346.408 1.745 0 40 EDAB CC(C)S(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1 12234762 YHOZWDLPFQTJEX-UHFFFAOYSA-N 338.429 1.219 0 40 EDAB CNC(=O)NC(=O)CCSc1nnnn1-c1ccc(C(C)C)cc1 12918871 QXRTYWZBLKYVAR-UHFFFAOYSA-N 348.432 1.724 0 40 EDAB Cc1nc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cs1 12914672 BDFDLXTXDFYRLR-UHFFFAOYSA-N 341.444 1.749 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(C(C)=O)C1)CC2 12925938 UKGJZRHYPQETPA-OAHLLOKOSA-N 346.427 1.847 0 40 EDAB CC(C)[C@@H](NC(=O)N1CCN(C2CC2)CC1)c1nnc2n1CCC2 95393995 YPBOJAWQLKTQMY-OAHLLOKOSA-N 332.452 1.411 0 40 EDAB COc1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 22617776 KKQJQFPKRPLMGZ-INIZCTEOSA-N 327.384 1.591 0 40 EDAB C[C@@H](C[S@@](C)=O)N(C)CC(=O)NCCOc1ccc(Cl)cc1 96012884 UJDQHSSUFUHITN-YTEVENLXSA-N 346.880 1.534 0 40 EDAB O=C(Cc1cc(-c2ccccc2F)on1)NCCCN1CCOCC1 23127196 QFMIOTNDRXUXAI-UHFFFAOYSA-N 347.390 1.862 0 40 EDAB O=C1C[C@H](C(=O)NCCCOC[C@@H]2CCCO2)c2ccccc2N1 65417532 APQRZHULQUEMFT-ZFWWWQNUSA-N 332.400 1.814 0 40 EDAB COC[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 65422398 RJSAKPAGIJIKNN-ZIAGYGMSSA-N 340.493 1.371 0 40 EDAB CCOc1ncnc2c1CN(C[C@H](O)COc1ccc(F)cc1)CC2 65466580 HAAIQEVRENWNRL-AWEZNQCLSA-N 347.390 1.812 0 40 EDAB O=C(C1CC1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 95444946 HLNOAGDBCIIWGS-SFHVURJKSA-N 341.455 1.732 0 40 EDAB CCOC(=O)C1=NN[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 4480552 JFXHUMFYXXUNCT-GHMZBOCLSA-N 335.747 1.029 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H]1CN1CCCCC1 65595864 SPIZZUAUMRXKBP-HNNXBMFYSA-N 340.493 1.676 0 40 EDAB CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc(N(C)C)nc1 65503790 RZYHLUZLJYWILM-CYBMUJFWSA-N 336.461 1.435 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1=NNC(=O)CC1 65563118 WZBZAAKIDWPRJD-NSHDSACASA-N 326.360 1.053 0 40 EDAB CCOC(=O)CS(=O)(=O)N(Cc1cccnc1)Cc1ccco1 65554144 ZIWCYMUOYVZUFN-UHFFFAOYSA-N 338.385 1.570 0 40 EDAB CCNC(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 65608727 POQSZCPZSZOQRJ-UHFFFAOYSA-N 333.432 1.892 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCN(c3ncccn3)CC2)cc1 14673076 PUUHULDUPHZSGB-UHFFFAOYSA-N 332.429 1.686 0 40 EDAB NC(=O)[C@H]1C[C@H](O)CN1c1nc(-c2cccnc2)nc2ccccc12 6841267 AGQYHODJZKKHJO-SWLSCSKDSA-N 335.367 1.117 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)CSc2ncccn2)n1 6911925 NHJYDHYDZJDRDE-UHFFFAOYSA-N 338.414 1.770 0 40 EDAB CCO[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C1 67556229 BUXIMYBFOAVOBZ-HNNXBMFYSA-N 342.399 1.838 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2csc(S(N)(=O)=O)c2)cn1 71796889 UDSMDMHCJRRFSU-NSHDSACASA-N 340.430 1.106 0 40 EDAB O=C(NCCNc1nnnn1-c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 71796039 IVKSEKOWDUZSMU-IAGOWNOFSA-N 348.410 1.994 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C3CCOCC3)CC2)cc1F 80826390 JLLDQRXKGPVWAV-UHFFFAOYSA-N 342.436 1.619 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1C 95961867 MGWYFOPEJHOIHV-YUTCNCBUSA-N 327.450 1.612 0 40 EDAB Cn1cc(C(=O)NC2(c3cccc(F)c3)CCOCC2)ccc1=O 81367344 SMAYUUCNMACKNX-UHFFFAOYSA-N 330.359 1.960 0 40 EDAB CCO[C@@H]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)C1 71825579 ZQUXMXAVUDALQU-CYBMUJFWSA-N 330.388 1.209 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(Cc3ccncc3)CC2)cn1 71830437 GNIYPIMISWOJNF-SJORKVTESA-N 325.416 1.263 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NCCOc2ccc(F)cc2F)C1 71883356 ILKMQRYPYSKFLF-SNVBAGLBSA-N 327.331 1.251 0 40 EDAB COc1cccc(SCC(=O)N2CSC[C@H]2C(=O)N(C)C)c1 69210700 UDZUZLPOQGDONA-ZDUSSCGKSA-N 340.470 1.777 0 40 EDAB O=C(CN1CCO[C@@H](Cn2cccn2)C1)Nc1ccc(Cl)cn1 69391604 FORQOKVKPWERJP-CYBMUJFWSA-N 335.795 1.271 0 40 EDAB COCCN1CC[C@H](NC(=O)c2cccc(Br)c2)C1 71886536 RDFRDIMKUXQPQD-ZDUSSCGKSA-N 327.222 1.900 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC[S@@](=O)c3ccccc3)CCO2)c1 69490310 AAXLRBHVJWEPFX-HJPURHCSSA-N 333.457 1.700 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 69460829 PLJPYHYSFGWEDQ-JZLODUJNSA-N 345.418 1.780 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)c1 69415693 ITFLIXNYELVLTJ-JKSUJKDBSA-N 330.432 1.614 0 40 EDAB CCC(C)(C)NC(=O)CN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 69518952 BRJKWKBFTHOTMM-LBPRGKRZSA-N 341.477 1.632 0 40 EDAB Cc1nn(CC(C)C)c(N(C)C)c1CN[C@H]1CCS(=O)(=O)C1 69570264 OYZBVLZNRQWVPF-ZDUSSCGKSA-N 328.482 1.190 0 40 EDAB O=C(NCc1nc(C2CC2)no1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 69520003 JCQSDOUATMDKCU-NSHDSACASA-N 344.346 1.755 0 40 EDAB CCS(=O)(=O)CCNC(=O)NCc1ccccc1-n1cccn1 69666271 PYQGUHOHMKMWMW-UHFFFAOYSA-N 336.417 1.106 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H]1Oc3ccccc3O[C@H]1C)C2 69653622 XHZHJRLMLLHECL-MEDUHNTESA-N 328.372 1.411 0 40 EDAB O=C(NCCN1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1)C1CCC1 95987270 PIGHKBIGFBCBJU-RTBURBONSA-N 343.471 1.179 0 40 EDAB COC(=O)N1CCCN(C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 69771304 YATRNZIHXPBDQD-UHFFFAOYSA-N 338.339 1.231 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCCN2CC(=O)NCc2ccccn2)n1 69870055 KYWVWBHJOHZUSW-KRWDZBQOSA-N 342.447 1.461 0 40 EDAB CC[C@H]1CCCN(C(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)C1 69973690 ICCVEVNBVROBES-NSHDSACASA-N 341.433 1.997 0 40 EDAB Cc1csc(=O)n1CCC(=O)OCc1nc(N)c2ccccc2n1 18338475 PTOFTSZWEOMYAU-UHFFFAOYSA-N 344.396 1.877 0 40 EDAB C[C@H](O)c1cn(C2CN(C(=O)COc3ccc(Cl)cc3)C2)nn1 95998076 PGDDDMYZWQYGEB-JTQLQIEISA-N 336.779 1.447 0 40 EDAB COC(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)n(-c2ccccc2)n1 71185802 WCNCUCNOHCWRKU-CHWSQXEVSA-N 343.383 1.908 0 40 EDAB Cc1cc(C(=O)N(C)Cc2cccs2)nc(N2CCOCC2)n1 71195485 WSFUPERKXVSFNO-UHFFFAOYSA-N 332.429 1.955 0 40 EDAB Cc1noc(C)c1C(=O)NCc1cccnc1N1CCN(C)CC1 95955864 BSZLJYMGPYDOLT-UHFFFAOYSA-N 329.404 1.368 0 40 EDAB C[C@@H](C(=O)NCc1ccco1)N1CCc2c(nc(C3CC3)n2C)C1 84001326 VJDJGBWYIYZKEQ-LBPRGKRZSA-N 328.416 1.954 0 40 EDAB C[C@@H](NCC(=O)N1CC(=O)Nc2ccccc21)[C@@H](C)n1cccn1 84139595 KLGAKIAUADDGSV-CHWSQXEVSA-N 327.388 1.408 0 40 EDAB O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cnc2ccccn12 97086421 DONIXCLHKMZVBG-CQSZACIVSA-N 335.367 1.655 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCc1ccnn1C 72277816 HCMCOVQPAGEEDX-OAHLLOKOSA-N 327.432 1.836 0 40 EDAB Cc1ccn(-c2ccc(N3CCC[C@@H](CN4CCOCC4)C3)nn2)n1 84248001 FUCKVRLVBJQMGL-INIZCTEOSA-N 342.447 1.519 0 40 EDAB O=C([C@@H]1CCCN1C(=O)c1cccs1)N1CC[C@]2(CCOC2)C1 89799916 DVXINYLRMNVQMI-GUYCJALGSA-N 334.441 1.992 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1 89938458 YFRCIYGSDYVLKO-AWEZNQCLSA-N 326.400 1.068 0 40 EDAB COc1ccc(C)cc1CN1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 76058731 KFBIQTUEYXGOFU-RDTXWAMCSA-N 331.416 1.814 0 40 EDAB C[C@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@@H]1N1CCOCC1 76054246 CWZCOAWCCMMHCH-WFASDCNBSA-N 340.370 1.523 0 40 EDAB O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)NCCOc1ccc(F)cc1 72270715 CPZDKPHPJUHBFY-CQSZACIVSA-N 346.406 1.923 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)c1 26781806 CZWYHWLZTBSBSS-KRWDZBQOSA-N 327.428 1.952 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 306144250 ZAKKGIIYCXSLSU-CQSZACIVSA-N 340.445 1.429 0 40 EDAB CN(C)CCn1ccc(NC(=O)N2CCC[C@@H](c3ccn(C)n3)C2)n1 1553074615 VUTNVQXULBLPFM-CQSZACIVSA-N 345.451 1.590 0 40 EDAB CCOC(=O)CCC(=O)Nc1ccc2c(c1)N(C(=O)COC)CCC2 38677733 LBKJEXSIUVIWIW-UHFFFAOYSA-N 348.399 1.894 0 40 EDAB CCOC(=O)N1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 36634011 OBCQRTXLDDIXAC-AWEZNQCLSA-N 349.362 1.232 0 40 EDAB COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C 36369925 UXGQLDSLPCOQEY-UHFFFAOYSA-N 341.371 1.645 0 40 EDAB biogenic Cc1cnc(C[C@@H]2COCCN(C(=O)c3scnc3C)C2)cn1 72388270 VBYMYJSMMHMTOM-ZDUSSCGKSA-N 332.429 1.881 0 40 EDAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC 218438290 BRXZXGWTOHDPCK-IJEWVQPXSA-N 325.430 1.410 0 40 EDAB COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCN2C(=O)NC[C@H]2C1 120780973 HGYUOMYPCITXBV-OLZOCXBDSA-N 332.404 1.484 0 40 EDAB Cc1cc(N2CCC[C@@H]2c2cc(CCC(N)=O)nc(C)n2)ncn1 72367094 LWNRRUICNHTGPU-OAHLLOKOSA-N 326.404 1.643 0 40 EDAB Cc1nc(CC2CCN(C(=O)N[C@@H]3CC34CCOCC4)CC2)no1 1548453550 TZGBZOVTBAGHSE-CQSZACIVSA-N 334.420 1.911 0 40 EDAB CCn1nc(C)c(NS(=O)(=O)c2cnn(-c3ccccn3)c2)c1C 72238923 XEYKXZPTGLWXHE-UHFFFAOYSA-N 346.416 1.901 0 40 EDAB O=C(NCCN1CCOCC1)c1cc(Sc2ncccn2)ccn1 72243487 GIMOSFXJPJVRSG-UHFFFAOYSA-N 345.428 1.085 0 40 EDAB Cc1nn(C)c(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1C 78112270 JNIWLFUMFUEXBR-INIZCTEOSA-N 328.416 1.876 0 40 EDAB CNS(=O)(=O)CC(=O)NC1(CC(=O)OC(C)(C)C)CCCCC1 564320390 BWHYMGSQINKYFB-UHFFFAOYSA-N 348.465 1.087 0 40 EDAB c1cnnc(N2CCC[C@@H](NCc3nnc(-c4ccco4)o3)C2)c1 69872344 JEOSFYUXNMDLIY-GFCCVEGCSA-N 326.360 1.878 0 40 EDAB COc1ccc(CNC(=O)c2c(O)n3cc(C)ccc3nc2=O)cc1 226822228 XGWUSJPFKNANRB-UHFFFAOYSA-N 339.351 1.647 0 40 EDAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1 226628346 DGUPNGRGMKZIAX-KRXQYRFLSA-N 329.352 1.281 0 40 EDAB COc1cccc2c1ccn2CC(=O)N[C@@H](CCSC)C(=O)O 40310197 NPXUKURLYKXQJJ-LBPRGKRZSA-N 336.413 1.972 0 40 EDAB biogenic O=S(=O)(CCc1cccs1)NC[C@H]1CN(C2CC2)CCO1 195378018 FMLBOAUHTBVMHS-ZDUSSCGKSA-N 330.475 1.073 0 40 EDAB Cn1cc(C(N)=O)cc1C(=O)OCC1CCN(CC(F)(F)F)CC1 88813565 CBFLUSWDTXIAQP-UHFFFAOYSA-N 347.337 1.555 0 40 EDAB Cn1cc(CN2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)cn1 96048698 VLYMXBCAYPVIPG-KRWDZBQOSA-N 326.404 1.229 0 40 EDAB COc1cccc([C@@H](O)C(=O)NCCc2nc3ccccc3n2C)c1 95450402 ZPYFNOQBNYXOLO-GOSISDBHSA-N 339.395 1.974 0 40 EDAB CN1CCN(Cc2cn3c(n2)CN(Cc2cccs2)CC3)CC1 96059419 AJWNDRXVHZSTAI-UHFFFAOYSA-N 331.489 1.708 0 40 EDAB Cc1ccc(N[C@@H]2CO[C@@]3(CCN(C(=O)C4CC=CC4)C3)C2)nn1 96219578 GCCOHINAXLJXFQ-YJBOKZPZSA-N 328.416 1.923 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)NCCc1nc2c(s1)CCCC2 95451688 CNJVIUIRIXMMCW-LLVKDONJSA-N 334.449 1.544 0 40 EDAB O=C(c1ncccn1)N1CC[C@@H](Oc2ncccc2Br)C1 238940871 VZEHMOUUOFKVHJ-SNVBAGLBSA-N 349.188 1.928 0 40 EDAB CN(C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(c2ccccc2)C1=O 96419672 IDWUMCBLDAHHFT-GDBMZVCRSA-N 336.457 1.549 0 40 EDAB CN1C(=O)CO[C@H](C(=O)Nc2nccs2)[C@@H]1c1ccc(F)cc1 96181787 QEBDOJCFIIJKGG-STQMWFEESA-N 335.360 1.819 0 40 EDAB O=C(c1ccncn1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96108969 KGWZWWROIOJPHA-CRAIPNDOSA-N 340.383 1.177 0 40 EDAB Cn1cnnc1[C@@H]1CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CCO1 583623926 ONDINQRRHGMCLV-ILXRZTDVSA-N 327.388 1.454 0 40 EDAB O=C1NC2(CCN(C(=O)[C@H]3CCOC3)CC2)C[C@@H]1c1ccncc1 96199576 ATMZBXMERACDSR-LSDHHAIUSA-N 329.400 1.083 0 40 EDAB C[C@H](c1cccnc1)N1CCN(CC(=O)Nc2nncs2)CC1 96424315 XDJLAQVJNXPZSG-GFCCVEGCSA-N 332.433 1.250 0 40 EDAB C[C@H](C(=O)Nc1ccc2[nH]cnc2c1)n1nnc2ccccc2c1=O 95476879 PVLWEHVMGPDKAB-SNVBAGLBSA-N 334.339 1.868 0 40 EDAB O=C(O)c1c(-c2ccncc2)ncc2c1CCN([C@H]1CCOC1)C2 96189255 BDTUYVCSRAPMEC-AWEZNQCLSA-N 325.368 1.989 0 40 EDAB CC(C)CNC(=O)C1=NO[C@]2(CCN(C(=O)Cc3cccs3)C2)C1 96225462 LJSRIMVKDWGGJO-QGZVFWFLSA-N 349.456 1.810 0 40 EDAB O=C(CCNC(=O)c1ccc(N2CCCC2)nc1)Nc1ccncc1 96403548 ZVQNOYYRERLDCD-UHFFFAOYSA-N 339.399 1.835 0 40 EDAB Fc1cnc(N2CCC[C@@]3(CN(Cc4ccncc4)CCO3)C2)nc1 96226582 XQOPVUXHNOBBRA-GOSISDBHSA-N 343.406 1.882 0 40 EDAB Cn1c(Cn2cc(NC(=O)CC(C)(C)O)cn2)nc2ccccc21 585079679 PDUPEQIDRWDYEI-UHFFFAOYSA-N 327.388 1.918 0 40 EDAB COCCOCCS(=O)(=O)Nc1cccc(CCCC(=O)O)c1 585097853 ARZGQVVLRDXIGX-UHFFFAOYSA-N 345.417 1.499 0 40 EDAB Cc1csc(CN2Cc3cncn3[C@H](COCC(=O)N(C)C)C2)n1 248037450 UYVPPSQWAMSMAJ-AWEZNQCLSA-N 349.460 1.310 0 40 EDAB C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CN1CC[C@@H](C(N)=O)C1 585084361 PFGZLXGNXPMOMM-MGPQQGTHSA-N 325.453 1.687 0 40 EDAB CC(=O)N1CCn2cc(C(=O)NCCc3ccccc3)nc2[C@H]1C 247966387 XJMJMNFZCCBRRL-CYBMUJFWSA-N 326.400 1.779 0 40 EDAB CCCn1ccc(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)n1 257243314 IGJCPFNAPRJOGA-GOSISDBHSA-N 343.431 1.402 0 40 EDAB 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1.509 0 40 EDAB CCC[C@@H]1NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2)C1=O 42756926 HFIGANMFSLRXRE-AAEUAGOBSA-N 326.780 1.800 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)N2CCCN(C)CC2)ccc1F 97052054 RPOHCCCFCXCACZ-UHFFFAOYSA-N 333.371 1.279 0 40 EDAB C[C@H]1CN([C@H](C)CNC(=O)c2cnn(C)c2-n2cccc2)C[C@@H](C)O1 106057184 KTMPLCUYTWSHDW-KFWWJZLASA-N 345.447 1.438 0 40 EDAB CCCCNc1ccccc1C(=O)O[C@H](C)C(=O)N1CCNC1=O 7197632 BUGYHQVHFUPQLD-GFCCVEGCSA-N 333.388 1.996 0 40 EDAB C[C@@H](NC(=O)NCCc1cnn(C)c1)c1ccc2c(c1)OCCO2 43482387 VRBKBVJAWQAJGM-GFCCVEGCSA-N 330.388 1.794 0 40 EDAB CC[C@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)C[C@@H]1N(C)C 84735544 YNSVUIRFMRPWLM-BBRMVZONSA-N 328.416 1.195 0 40 EDAB O=C(CCn1ncc(=O)c2ccccc21)N1CCO[C@H]2CCC[C@@H]21 56193892 VGGQDWBHRMTWDU-RDJZCZTQSA-N 327.384 1.567 0 40 EDAB O=C(COC(=O)[C@H]1CCC(=O)N1)Nc1ccc(Br)cc1 3227495 SRHSDLJKZGURMD-SNVBAGLBSA-N 341.161 1.209 0 40 EDAB COc1ccnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)n1 12620918 KXYKUFRZTXUEAZ-GASCZTMLSA-N 347.463 1.112 0 40 EDAB 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0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 69969569 CNZWESVVOCEPOO-CYBMUJFWSA-N 330.384 1.322 0 40 EDAB CNC(=O)NC(=O)CNc1cccc(C[S@](=O)c2ccccc2)c1 71913948 LDBFBDSRDPIJOO-XMMPIXPASA-N 345.424 1.862 0 40 EDAB CCOC(=O)[C@@]1(NC(=O)CNC(=O)[C@@H](C)CC)CCc2ccccc21 72283331 MAPHDCKBJYKODN-ORAYPTAESA-N 346.427 1.670 0 40 EDAB O=S(=O)(Nc1cccnc1N1CCOCC1)c1cccs1 72275926 NSIGUNOMMUPEJV-UHFFFAOYSA-N 325.415 1.781 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1csc(-c3cnn(C)c3)n1)CC2 97198859 MAEFYHRXEDLFEQ-LLVKDONJSA-N 343.416 1.188 0 40 EDAB CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cc2c([nH]c1=O)CCCCC2 84456514 QMOYFAANIOGNRO-OAHLLOKOSA-N 331.416 1.240 0 40 EDAB Cc1nc(C)c(CCNC(=O)N2CCC[C@H]2C(=O)NC2CC2)s1 95436905 QNGBJPRTCVJYQV-ZDUSSCGKSA-N 336.461 1.755 0 40 EDAB COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cc2ccccc2n(C)c1=O 95480519 XNEBPPKIQIJCRC-LBPRGKRZSA-N 341.367 1.971 0 40 EDAB CCn1ccnc1CN1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 95963690 UHRKDLYCLVADSU-INIZCTEOSA-N 333.480 1.420 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)nc2)cn1 89490127 GVRJYTAXPFERBO-UHFFFAOYSA-N 325.777 1.715 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(F)c(Cn3ccnc3)c2)c(=O)[nH]1 75120275 BNAIOJQLMOFGQJ-UHFFFAOYSA-N 340.358 1.997 0 40 EDAB NC(=O)N1CCCN(CC(=O)NC2(c3ccccc3)CCC2)CC1 75684348 PXBCXIXFLHFPSM-UHFFFAOYSA-N 330.432 1.268 0 40 EDAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc(-n2cccn2)cc1 36354095 JEGROYHSGMEKQF-UHFFFAOYSA-N 342.380 1.772 0 40 EDAB CN(C)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408704788 SXICYRFCSWOLHK-UHFFFAOYSA-N 328.390 1.050 0 40 EDAB COC[C@H](C)NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 408623610 YFOWCGVLLXYICE-ZDUSSCGKSA-N 328.434 1.221 0 40 EDAB Cc1cc(N[C@H]2CCC(=O)N(C)C2=O)n2nc(C(F)(F)F)nc2n1 521395937 FLAAVXALQZZXCP-ZETCQYMHSA-N 342.281 1.011 0 40 EDAB CN(C)c1ccccc1CN1CCCC[C@H]1CNS(C)(=O)=O 75648222 DMCWLGGPDFHESC-HNNXBMFYSA-N 325.478 1.656 0 40 EDAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCC1CCC1 26142007 RSWWBZNYBHYGRS-UHFFFAOYSA-N 335.429 1.497 0 40 EDAB Cc1nc([C@H]2CCN2C(=O)c2ccn(C)n2)cc(N2CCCC2)n1 72387558 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EDAB CCOc1ccc(-c2noc(CNC(=O)c3cc(C)n[nH]3)n2)cn1 225817052 FBXRWGNUEHUWEG-UHFFFAOYSA-N 328.332 1.492 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1nc(C2CC2)no1 97212687 LHCWGHNYLQNBRH-SECBINFHSA-N 332.408 1.728 0 40 EDAB C[C@H](NC(=O)N1CCN(Cc2ccccn2)CC1)C(C)(C)CN(C)C 97096575 XNBHZKHBSPKOMS-INIZCTEOSA-N 347.507 1.885 0 40 EDAB COc1ncccc1CN1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 96225521 UHAFSGGDIWYPRN-SFHVURJKSA-N 346.431 1.678 0 40 EDAB CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(C(=O)c3occc3C)CC[C@@H]21 96185573 KMILEFHSYFZPMH-PMPSAXMXSA-N 333.432 1.601 0 40 EDAB COC(=O)[C@H]1CC12CCN(S(=O)(=O)CCCN1CCCC1)CC2 583650956 CCSRDUVNTINTES-CQSZACIVSA-N 344.477 1.077 0 40 EDAB Cc1noc(C)c1CN1CCOC[C@]2(CCN(c3ncccn3)C2)C1 96202303 RRSQMWPCLNKOSM-GOSISDBHSA-N 343.431 1.810 0 40 EDAB Cc1ccc(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 96441599 VNHLLZLAVFZILJ-UHFFFAOYSA-N 335.429 1.631 0 40 EDAB CN(C)c1cnc(C(=O)N2CCN(c3cccc(F)c3F)CC2)cn1 332370503 ATPJRSYDEVDWLA-UHFFFAOYSA-N 347.369 1.783 0 40 EDAB O=C(NCc1ccccc1)N1CCn2c(Cn3cccn3)cnc2C1 96201117 MEGOWXQRBQHSTD-UHFFFAOYSA-N 336.399 1.853 0 40 EDAB CCN1C[C@H](NC(=O)NCc2ncc(-c3ccccc3)o2)CC1=O 581054389 DCAZPFPJCBHWTI-CYBMUJFWSA-N 328.372 1.762 0 40 EDAB O=C(NCc1ccco1)[C@H]1COC[C@H]2CN(c3ccncn3)C[C@H]21 96065236 PPFKKTSFVAMJIR-YUELXQCFSA-N 328.372 1.085 0 40 EDAB O=C(CCCNC(=O)c1cnccn1)Nc1ccc2c(c1)COC2=O 95472208 BEHDUYKBXNTMHD-UHFFFAOYSA-N 340.339 1.296 0 40 EDAB C[S@](=O)c1ncn(C[C@@H](O)CO[C@H]2CCCc3ccccc32)n1 245339235 RJMIQIFDSYZBGJ-CYULLINESA-N 335.429 1.471 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(CN)C(=O)O)cc1 242592259 OOZWHILKDKLSDA-NUJGCVRESA-N 345.420 1.964 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1C 245289890 FXPCSNGAUUZJGD-JKSUJKDBSA-N 338.473 1.886 0 40 EDAB Cc1cncc(C(=O)N[C@@H]2CC[C@H](N3CCN4C(=O)CC[C@@H]4C3)C2)c1 585087466 PZHIIDPHTGXXQO-IXDOHACOSA-N 342.443 1.348 0 40 EDAB Cc1nc(-c2cccc(Cl)c2)[nH]c1C(=O)N(C)[C@@H]1COC[C@H]1O 585082407 PAIOSDVXUNHVHZ-CHWSQXEVSA-N 335.791 1.870 0 40 EDAB 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CC(C)(C)OC(=O)N1CCC(N2C[C@H](C(=O)O)CCC2=O)CC1 261507444 IQOWDMRVWNXBGS-LLVKDONJSA-N 326.393 1.709 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)NCCC2=CCCCC2)CC1 40501137 HIWZYANZVVZYSX-UHFFFAOYSA-N 329.466 1.600 0 40 EDAB O=C(NC1CCN(C[C@H]2CCOC2)CC1)c1cnn2ccccc12 605560066 GWZWRVQIOQPRDN-CQSZACIVSA-N 328.416 1.565 0 40 EDAB CC1(C)C[C@H](NC(=O)Nc2ccc3nccn3c2)CCS1(=O)=O 1615002484 GUOPONALMZUGEU-LLVKDONJSA-N 336.417 1.812 0 40 EDAB CCn1cc([C@H]2CN(C(=O)Cc3ccnc(OC)c3)CCO2)cn1 1615558129 NHITUJPLLQEMCJ-OAHLLOKOSA-N 330.388 1.449 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N[C@H](CO)Cc1nccs1 1615586874 QOEVBZGMVOCCDJ-JTQLQIEISA-N 346.405 1.173 0 40 EDAB C[C@](O)(C(=O)NCc1cccnc1OCC(F)F)c1ccccn1 1615621947 JTTKYVRIUWXXFQ-MRXNPFEDSA-N 337.326 1.644 0 40 EDAB COCc1nnc2n1CCN(C(=O)COc1ccccc1)[C@@H](C)C2 585097721 NFPDWPHSOKCCJZ-ZDUSSCGKSA-N 330.388 1.277 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)Cc2cccs2)Cc2cccn2C1 585099228 WOAPQNRTJUMQRW-ZDUSSCGKSA-N 331.441 1.887 0 40 EDAB Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)CN(Cc1ccccn1)C2 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1.116 0 40 EDAB CC(C)CS(=O)(=O)C1CN(C(=O)c2ccc3nsnc3c2)C1 96121973 GOBLMJIJYOGYCR-UHFFFAOYSA-N 339.442 1.587 0 40 EDAB Cc1n[nH]c(C)c1CNC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 98020297 ARIOCPXUUKLYBX-INIZCTEOSA-N 332.408 1.217 0 40 EDAB CC(C)(C)c1nc(C(=O)N[C@@H](C(=O)O)[C@@H](O)c2ccncc2)cs1 1615003194 HBFNCTXUBSRFCS-NEPJUHHUSA-N 349.412 1.752 0 40 EDAB Cc1nn(CC(=O)NCc2ccco2)c(=O)c2cc3ccsc3n12 12114206 PBMWEINCNWCRNX-UHFFFAOYSA-N 342.380 1.929 0 40 EDAB COc1cc(CCC(=O)N[C@H](C)Cn2c(=O)oc3ccccc32)on1 12142010 DICIVBHRUPJHAW-LLVKDONJSA-N 345.355 1.729 0 40 EDAB C[C@@H](OCCCNC(=O)CCN1C(=O)CCC1=O)c1ccccc1 12866136 XFIOAXMFZKKSGU-CQSZACIVSA-N 332.400 1.810 0 40 EDAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 16575275 QHOJBVFRTSQECG-UHFFFAOYSA-N 340.445 1.622 0 40 EDAB COC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 16576528 VFGUXFACAACGIJ-JTQLQIEISA-N 334.825 1.112 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 19526773 VZGODBFIWOLJDC-KYZVSKTDSA-N 348.374 1.413 0 40 EDAB COCCNC(=O)c1cc([C@@H]2CCCN(Cc3cccnc3)C2)no1 19593557 RCCHNNRYOCWZSV-OAHLLOKOSA-N 344.415 1.825 0 40 EDAB CCOC(=O)[C@](NCCc1ccccc1)(NC(C)=O)C(F)(F)F 19939235 YNFNHMQHWOZSAK-AWEZNQCLSA-N 332.322 1.777 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)s1 206978345 QZEHILHEKXEOGL-SECBINFHSA-N 346.455 1.515 0 40 EDAB O[C@@H]1[C@@H](CNCC2(O)CCOCC2)CCC[C@H]1Oc1ccccc1 643585680 YLRZYVVORDNABD-KBAYOESNSA-N 335.444 1.726 0 40 EDAB Cn1ccnc1[C@@H]1CNCCN1C(=O)c1cncc(C(F)(F)F)c1 562979509 CCHIQRGPMMCTRL-LBPRGKRZSA-N 339.321 1.621 0 40 EDAB COCc1nsc(N2CC[C@@H](COc3cc4c(nn3)CCC4)C2)n1 1888866422 BADRPIYEMMWAJL-LLVKDONJSA-N 347.444 1.869 0 40 EDAB Cc1cc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)nc(C2CC2)n1 1889108561 QNBNFTLUTGOOBF-CYBMUJFWSA-N 336.461 1.713 0 40 EDAB Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23350419 ZPVCCMGTCYMRQS-UHFFFAOYSA-N 345.428 1.680 0 40 EDAB CCS(=O)(=O)NCCNC(=O)c1cc(C2CC2)nc2ccccc12 24588756 WAIFUPMNACYJDR-UHFFFAOYSA-N 347.440 1.781 0 40 EDAB CC(=O)N[C@@H](C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)C(C)C 24570575 LNSSIMMIZBBJBD-CQSZACIVSA-N 339.779 1.770 0 40 EDAB Cc1nc2ccc(N3CCN(c4ccc5nncn5n4)CC3)nn2c1C 2087048819 FMOYZVPYOHBPCY-UHFFFAOYSA-N 349.402 1.110 0 40 EDAB O=C(N1CCn2c(COc3ccccn3)nnc2C1)C1(F)CCC1 1565547313 ILTBHQSJGSCIGC-UHFFFAOYSA-N 331.351 1.487 0 40 EDAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)C3(F)CC3)CCO2)C1=O 1565548791 JRVFDIOEZLCAFO-KDOFPFPSSA-N 332.375 1.342 0 40 EDAB COCc1cn([C@@H]2CCN(C(=O)Cn3ccc4ccccc43)C2)nn1 1565523524 RACFLPXLJPRTNQ-MRXNPFEDSA-N 339.399 1.853 0 40 EDAB CSc1nnc(C)c(=O)n1COC(=O)COc1ccccc1C 4495815 WXKSYPJIROLYEE-UHFFFAOYSA-N 335.385 1.557 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NC[C@@H]1COC2(CCCC2)O1 10220563 RRQUOYYWAFVNFT-GFCCVEGCSA-N 345.392 1.798 0 40 EDAB CC1CCN(C(=O)c2ncn3c2CC[C@H](C(=O)NC(C)C)C3)CC1 2055714543 GNDHOQZMBPWVCL-AWEZNQCLSA-N 332.448 1.842 0 40 EDAB COC(=O)c1ccc(C(=O)NCC2(N3CCOCC3)CCC2)cc1 1775974467 HAHCUHGARKOFQH-UHFFFAOYSA-N 332.400 1.458 0 40 EDAB c1cc2nncn2nc1N1CC[C@@H](COc2cc3c(nn2)CCC3)C1 2086866050 LNQSLSAYSSKLFH-GFCCVEGCSA-N 337.387 1.308 0 40 EDAB Cn1nnnc1SCC(=O)NCc1cc(-c2cccs2)on1 36662381 UPQXEMLVIPQROE-UHFFFAOYSA-N 336.402 1.335 0 40 EDAB O=C(C1CC1)N1CCC(c2nc([C@@H]3CCCNC3)cc(=O)[nH]2)CC1 19291967 QWJUGBLBBRCXLO-CQSZACIVSA-N 330.432 1.353 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)c2ccoc2)cc1 75171908 TTYQIYGOMBPXGN-CYBMUJFWSA-N 325.342 1.078 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 24679671 SDZKDMGTXBDOTK-CYBMUJFWSA-N 335.429 1.712 0 40 EDAB Cc1cc(N(C)C)ccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102792256 ZEWLPBOVNNHUOJ-GASCZTMLSA-N 341.411 1.951 0 40 EDAB CNC(=O)c1cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)ccc1F 102716602 VGSHKCVVVNTONZ-ZDUSSCGKSA-N 332.379 1.663 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(N)=O)c2cccnc12 40494423 WLECQYYXUXPZRZ-ZDUSSCGKSA-N 333.413 1.572 0 40 EDAB CN1CCN(C(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)CC1 20388925 MWECGTFNUMQVFN-UHFFFAOYSA-N 345.830 1.938 0 40 EDAB C[C@H](Oc1ccc(F)cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1 40497289 YMYCWMXOYHBRLC-NSHDSACASA-N 344.408 1.133 0 40 EDAB Cc1cc(=O)c(C(=O)NCCN2CCCCC2)nn1-c1ccccc1 40534244 SNOWTYBMNORIIU-UHFFFAOYSA-N 340.427 1.757 0 40 EDAB Cc1ccc(OCC(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1C 101336766 ACVVNKAIKGVJEY-PYTWLRIVSA-N 340.379 1.521 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Sc1nncn1CC(F)(F)F 51974410 FPEDJZUKLUSOGV-LURJTMIESA-N 325.316 1.167 0 40 EDAB Nc1nc(COC(=O)CCCN2CCOC2=O)nc2ccccc12 52002215 CELXDPKSXFPPIR-UHFFFAOYSA-N 330.344 1.488 0 40 EDAB COc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 381688 YXMAOAVZWCLAFW-UHFFFAOYSA-N 334.763 1.144 0 40 EDAB O=C(NCCc1ccc(F)cc1)N[C@H]1CCCc2c1cnn2CCO 32933009 PEKSANYGIKQRIC-INIZCTEOSA-N 346.406 1.934 0 40 EDAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 33089788 GLQTYVVSWAOOMQ-UHFFFAOYSA-N 345.424 1.537 0 40 EDAB CCOC(=O)N1CCN(C(=S)NC(=O)/C=C/c2ccco2)CC1 524881 XDEPROBTBCACQD-AATRIKPKSA-N 337.401 1.468 0 40 EDAB CC(=O)Nc1nc(CN2CCN(Cc3cc(C)no3)CC2)cs1 22253267 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1.541 0 40 EDAB O=C1c2ccccc2C(=O)N1CCCn1nnc2ccccc2c1=O 24728219 XFGBBRGELIHFEE-UHFFFAOYSA-N 334.335 1.478 0 40 EDAB CC(C)c1ccccc1NCCn1cnc2c1c(=O)n(C)c(=O)n2C 24870028 IECGBPZHESFGEO-UHFFFAOYSA-N 341.415 1.669 0 40 EDAB O=c1ccccn1CCN1CCN(C[C@H](O)c2cccc(F)c2)CC1 95360774 BLNUNAVMETZFRV-SFHVURJKSA-N 345.418 1.339 0 40 EDAB COCCN1CC[C@H](CNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)C1 106631943 PAGNFVDCKPBQOU-CKEIUWERSA-N 334.416 1.299 0 40 EDAB NC(=O)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccco1)Cc1ccc(F)cc1 106834101 NUCZNSRPMSNMSH-AEGPPILISA-N 330.359 1.983 0 40 EDAB CC(=O)N1CCC(NC(=O)NCc2ccc(-n3cccn3)cc2)CC1 43879303 SVFLCJGTTIGSCM-UHFFFAOYSA-N 341.415 1.682 0 40 EDAB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cnn(C)c1 57119758 UPMSSAVLCXCSBJ-UHFFFAOYSA-N 341.364 1.318 0 40 EDAB O=C(NCc1cccc(Cn2cncn2)c1)N[C@H]1C[C@H]2CC[C@H]1O2 108105376 SNSROOWNOIATCN-OWCLPIDISA-N 327.388 1.446 0 40 EDAB CCOc1ccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc1 9140146 NINKYCMRTFVMTD-UHFFFAOYSA-N 348.432 1.855 0 40 EDAB O=S(=O)(c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)F 26744225 GOIVDEOZWQDOBH-UHFFFAOYSA-N 339.385 1.858 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)c1cnc2n(c1=O)CCS2 27066747 HRKBXENBTGGANE-UHFFFAOYSA-N 343.408 1.951 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)Cn1nc(-c2ccccc2)oc1=O 48262885 VKEZHLJYVKZNIH-CYBMUJFWSA-N 331.372 1.388 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N1CCCC1 58180315 XHJVBDUWGVZHST-SECBINFHSA-N 334.800 1.768 0 40 EDAB Cc1ccc(OC[C@H](O)Cn2nnc(-c3cccnc3)n2)c(C)c1 58268557 BQNMMMKOTUNJHV-OAHLLOKOSA-N 325.372 1.792 0 40 EDAB O=C(NCCN1CCS(=O)(=O)CC1)c1ccc2c(c1)CCCC2 44917752 AUMKUKLNGGILQY-UHFFFAOYSA-N 336.457 1.026 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccccc2S(C)(=O)=O)n1 44953384 UWBUGISDWBNUSQ-GFCCVEGCSA-N 349.456 1.970 0 40 EDAB CN[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 53203146 WCOBVWOSCMWKRP-QMMMGPOBSA-N 339.280 1.883 0 40 EDAB Cc1noc([C@@H](C)NC(=O)c2cccc(CN3CCCC3=O)c2)n1 58311278 GPDFOLKPKBIKTD-LLVKDONJSA-N 328.372 1.991 0 40 EDAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 28058255 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COc1ccc(OC)c(NC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c1 3597200 MAELKFLPYQYYKQ-CYBMUJFWSA-N 349.387 1.609 0 40 EDAB O=C(OCc1ccccc1)C1CN(C(=O)Cn2ccccc2=O)C1 95467383 FVRUUDXCRFIQQB-UHFFFAOYSA-N 326.352 1.050 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(N)c1 3886991 FRIAPOXGQKDNEU-UHFFFAOYSA-N 326.466 1.051 0 40 EDAB O=C(O)C[C@H](NC(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 13257708 LNUVTNWIIWDFSE-AWEZNQCLSA-N 342.330 1.903 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCSCC1)C2=O 49214543 NRXBZKXUJTVKLO-IAQYHMDHSA-N 325.434 1.063 0 40 EDAB CCOC(=O)C1CCN(CC(=O)Nc2ccc(C(=O)OC)cc2)CC1 5018339 RYNDWSBULPXTPX-UHFFFAOYSA-N 348.399 1.687 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NCCc1ccc2c(c1)OCCO2 65399541 WVOFFOWSAYRRCG-UHFFFAOYSA-N 330.388 1.575 0 40 EDAB C[C@@H](Sc1ncn[nH]1)C(=O)Nc1ccc(N2CCOCC2)cc1 6365842 KBSXSLKTIZKSAP-LLVKDONJSA-N 333.417 1.761 0 40 EDAB COC[C@@H](C)NC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 65592239 GYXWHVYDYDYCSZ-CQSZACIVSA-N 349.431 1.126 0 40 EDAB NC(=O)C1CCN(CCCNCc2c[nH]nc2-c2cccs2)CC1 65516889 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O=C(CNC(=O)[C@@H]1COc2ccc(F)cc2C1)Nc1cccnc1 90509006 DTYWQPBYHUGOEK-LBPRGKRZSA-N 329.331 1.527 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)NC[C@@H](OC)c2ccccc2)C1 71924643 URMIBAMTLIKBIY-LSDHHAIUSA-N 335.404 1.904 0 40 EDAB CCCN(C)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 68998088 OVMAAGPGVBBZMI-GOSISDBHSA-N 329.400 1.854 0 40 EDAB Cc1nnc(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1C 9615085 FJQOPRSDJIOYEW-UHFFFAOYSA-N 346.416 1.045 0 40 EDAB CN(Cc1nccn1C)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 69492812 LRWBYFCARNKQJI-LBPRGKRZSA-N 330.363 1.571 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2n[nH]c(N)n2)c1C 8477137 QIUXHESWDGVSPV-MRVPVSSYSA-N 337.405 1.872 0 40 EDAB COCCS(=O)(=O)c1ccc(C(=O)N(C)c2nccs2)cc1 69527689 GUECVFDJXPMUTQ-UHFFFAOYSA-N 340.426 1.840 0 40 EDAB COCCOCCC(=O)NS(=O)(=O)c1cccc2ncccc12 69563359 YYBYRJNUIVNVEL-UHFFFAOYSA-N 338.385 1.093 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCC(N3CCCC3=O)CC2)c1 69631811 VRCPUGCCTWBLNZ-UHFFFAOYSA-N 340.420 1.910 0 40 EDAB CCOCCC1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 85819866 MRXLNAIBUUZTHL-INIZCTEOSA-N 332.510 1.797 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2cccc(N3CCNC3=O)c2)cn1 69703082 KTNUREONUWNULW-INIZCTEOSA-N 339.399 1.927 0 40 EDAB O=C(CN1CCC[C@H](CN2CCCCCC2)C1)NC[C@@H]1CCCO1 69703951 HTPFCNCVUQMADY-MSOLQXFVSA-N 337.508 1.870 0 40 EDAB O=C(CN[C@H]1CCCN(c2cccnn2)C1)NCCc1ccsc1 69738549 FRMWMTUZSXQAFT-HNNXBMFYSA-N 345.472 1.455 0 40 EDAB CCc1nc2n(n1)C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)CC2 69843187 RCJBDDFOXQIKPI-QAPCUYQASA-N 339.443 1.765 0 40 EDAB COC(=O)c1cc(OC)ccc1NC(=O)[C@H](C)NC(=O)C(C)(C)C 69875660 ISMNTDYFPSTKHV-JTQLQIEISA-N 336.388 1.971 0 40 EDAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C1 69919612 VCGPEDWFBVQLJA-HZPDHXFCSA-N 344.459 1.868 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)c2ccc(F)c(F)c2)n1 72294732 ILZXMKFBLYYPPU-UHFFFAOYSA-N 329.328 1.458 0 40 EDAB CC(=O)Nc1nc(C(=O)N2CCC(Nc3cccnn3)CC2)cs1 72279595 LHAFNBGXJBVSNO-UHFFFAOYSA-N 346.416 1.608 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)CCNc2ncccn2)c(C)nn1C 72234379 DXGAEZDJYWSPLP-ZDUSSCGKSA-N 344.419 1.693 0 40 EDAB CC(C)[C@@H](C(=O)NC[C@]1(O)CCCc2ccccc21)N1CCCC1=O 66930362 QVFUPTIQNULHMP-AZUAARDMSA-N 344.455 1.974 0 40 EDAB Cn1c(N2CC=C(c3cccs3)CC2)nc2c1c(=O)[nH]c(=O)n2C 95398348 GGMJDISFNPUBPB-UHFFFAOYSA-N 343.412 1.316 0 40 EDAB COc1ncccc1C(=O)N(C)C1CCN(C[C@@H]2CCOC2)CC1 75141662 DGMGDWXDWZNJHV-AWEZNQCLSA-N 333.432 1.663 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCc2cccc3cccnc23)C[C@H](C)O1 89936755 GGZHPYHYZXCZOY-KBPBESRZSA-N 349.456 1.721 0 40 EDAB CCCn1nc2c(cc1=O)CN(Cc1c(C)nn(C)c1Cl)CC2 76064412 HAWDSHQXWMGPME-UHFFFAOYSA-N 335.839 1.907 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccccc1 22432024 UEUWBGKBLGPMPT-UHFFFAOYSA-N 336.388 1.908 0 40 EDAB CCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408584360 OQRHFVPELJXEMC-GFCCVEGCSA-N 328.434 1.539 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(CCc2ccccn2)CC1 60611708 UTUUCYGNCBQVHY-UHFFFAOYSA-N 328.416 1.616 0 40 EDAB O=C(c1ccco1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134228 QHLVZKDWRGLRSQ-UHFFFAOYSA-N 338.371 1.213 0 40 EDAB O=C(O)[C@H](CNS(=O)(=O)N1CCCC1)Cc1ccc(Cl)cc1 547875863 GRRXTNLHGJCAPU-LBPRGKRZSA-N 346.836 1.514 0 40 EDAB O=C(NC[C@@]12CNC[C@]1(C(F)(F)F)C2)N1CCC(CCO)CC1 1551565860 PIRHVJGJQCRKHJ-ZIAGYGMSSA-N 335.370 1.332 0 40 EDAB COc1ccc(CN2C(=O)N[C@H](Cc3cn(C(C)C)nn3)C2=O)cc1 515073437 RBJKQUGJDXOYPD-OAHLLOKOSA-N 343.387 1.531 0 40 EDAB CNc1cnc(C(=O)NCc2cccc(C(=O)NC3CC3)c2)cn1 521396336 ODHYGZZJGLENNH-UHFFFAOYSA-N 325.372 1.341 0 40 EDAB CC[C@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832308 VVYYIUCDMDNMDX-TVQRCGJNSA-N 346.836 1.782 0 40 EDAB O=c1n(Cc2ccc(F)cc2)nc2n1-c1ccccc1C1=NCCN12 72348050 CBVHPDKBISIPOH-UHFFFAOYSA-N 335.342 1.802 0 40 EDAB Cn1c(-c2ccccc2)nn(CCNC(=O)c2cccs2)c1=O 36708552 NBYFEAPDEUOBEK-UHFFFAOYSA-N 328.397 1.740 0 40 EDAB Cc1nc2cc(NC(=O)CN3CCNC(=O)C3(C)C)ccc2n1C 72392143 SVGYOXOHTQFGHW-UHFFFAOYSA-N 329.404 1.031 0 40 EDAB CC(C)NC(=O)[C@H]1CCCN(c2c3c(nc4ncnn24)CCC3)C1 35314580 VRHIEUQGXAFFLK-LBPRGKRZSA-N 328.420 1.354 0 40 EDAB CC(C)CCNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1 225947435 IZMMACOOVIEJFO-CQSZACIVSA-N 330.425 1.968 0 40 EDAB C[C@H]1CN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)C(C)(C)CO1 195563307 ZEZLUIRVXKAFTK-BBRMVZONSA-N 341.477 1.416 0 40 EDAB Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3Cc4ccccc4CO3)C2)nn1 225429632 FNUGBVXZXUPRGM-DLBZAZTESA-N 339.395 1.906 0 40 EDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccc(F)cc2)c1=O 222663483 HIQQWPUVAPRDCC-UHFFFAOYSA-N 335.335 1.205 0 40 EDAB COc1cc(C(=O)NCc2cc(C)nn2C)n(-c2ccccc2)n1 227162642 FQHSZAXVIMNZQL-UHFFFAOYSA-N 325.372 1.853 0 40 EDAB C[C@@]1(C(=O)NCCCN2CCOCC2)CC(c2ccccc2)=NO1 96192742 CEZAWYXFMBBVBD-SFHVURJKSA-N 331.416 1.408 0 40 EDAB O=C(Nc1cnccn1)[C@H]1CC[C@@H]2[C@@H](CCN2C2CCOCC2)O1 96092268 IMGCNVXILIROPV-RBSFLKMASA-N 332.404 1.216 0 40 EDAB CC(C)n1cnc2c1C[C@H](C(=O)NCCN(C)C)C(=O)N2CC1CC1 96264840 HFGRUXXFKFYESA-CQSZACIVSA-N 347.463 1.057 0 40 EDAB CCCS(=O)(=O)CC(=O)NC[C@@H](c1c(F)cccc1F)N(C)C 96406375 JTEMYZGHQKOJPB-ZDUSSCGKSA-N 348.415 1.509 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccc[nH]1)C2 96237709 WMFJGRQPEUUPQF-LJQANCHMSA-N 338.411 1.578 0 40 EDAB CCn1c(CN2CCC[C@](O)(c3cnn[nH]3)C2)nc2c(F)cccc21 583618006 TZIZZIWMPQZPBS-QGZVFWFLSA-N 344.394 1.797 0 40 EDAB O=C(c1cc(Br)c[nH]1)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617772 QTPYGANEPJIXSW-LBPRGKRZSA-N 340.181 1.019 0 40 EDAB O=C(NC1CC1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96074004 MQQBZZKYJKGICP-SFHVURJKSA-N 328.416 1.768 0 40 EDAB O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(Cc1ccccn1)C2 96219134 TXUFNOPADISDAF-HNAYVOBHSA-N 338.411 1.494 0 40 EDAB Cc1cccc(CN2C[C@H]3CCN(c4cnn(C)c4)C(=O)[C@@H]3C2)n1 96249160 SBLOFDLAPSCSAR-RHSMWYFYSA-N 325.416 1.608 0 40 EDAB CC(C)n1nnnc1CN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 96492006 AXKNCEQSXHDUOC-SNVBAGLBSA-N 341.412 1.647 0 40 EDAB Cc1nc([C@H]2COCCN2S(=O)(=O)c2cccnc2)cs1 96217935 VYEMLCZTCAAPGR-CYBMUJFWSA-N 325.415 1.609 0 40 EDAB O=C(c1cn2cccnc2n1)N(C[C@H]1CCCO1)[C@H]1CCSC1 96404145 UWOMMDXTSJROIA-QWHCGFSZSA-N 332.429 1.856 0 40 EDAB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cn1cccn1 96441188 ARWOKSIAAVHJCR-UHFFFAOYSA-N 343.431 1.672 0 40 EDAB CC(C)(C)[C@H](N)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 97228918 IQQKBIUWDUIYSP-OAHLLOKOSA-N 335.423 1.874 0 40 EDAB CC(C)CCN1C[C@H]2CCN(c3ncccn3)CC[C@H]2S1(=O)=O 96263756 LBQUTDIPVMWQRL-HUUCEWRRSA-N 338.477 1.753 0 40 EDAB COc1ccc2c(c1)C[C@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)CC2 90797290 XFXUBGXYHGIOME-XJKSGUPXSA-N 338.473 1.424 0 40 EDAB CCCC[C@H](CC)CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)NC 585088580 AYMWGKNWQXJFRN-UONOGXRCSA-N 346.493 1.355 0 40 EDAB O=C(C1CC1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 585086053 BWINNSTXDXZHJQ-SFYZADRCSA-N 332.244 1.997 0 40 EDAB C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCc2ccc(F)cc21 96474837 SLJLKSGJFQSYML-YGRLFVJLSA-N 328.409 1.935 0 40 EDAB CC[C@H](NC(=O)c1cc(N)nc(Br)c1)[C@H](O)C(C)C 585131611 AKUXXACHQKVNRG-JOYOIKCWSA-N 330.226 1.952 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2oc(C(N)=O)nc2c1 585127714 HRCVXWXEDHVVFJ-ONGXEEELSA-N 333.344 1.449 0 40 EDAB Cc1ncoc1C(=O)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 248031234 LVZIZROAAAUYDI-LBPRGKRZSA-N 330.344 1.226 0 40 EDAB CCOC[C@]1(C(N)=S)[C@@H](c2ccc(OC)cc2)[C@H]1S(C)(=O)=O 242547902 KYFMLCAOSZFIQH-GUTXKFCHSA-N 343.470 1.515 0 40 EDAB CC[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 244279071 WSZUCZKNWXPNIW-SECBINFHSA-N 349.250 1.642 0 40 EDAB O=C1CCCN1C[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1 248003599 RRMXGXWTBCVCSY-INIZCTEOSA-N 332.448 1.364 0 40 EDAB O=C(NCC[C@@H]1CCOC12CN(C1CCOCC1)C2)c1cccnc1 247464055 BXVMJDHCVQKSIA-MRXNPFEDSA-N 345.443 1.471 0 40 EDAB COCC[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn21 247878617 PDYJGGHYOOAYBS-OAHLLOKOSA-N 343.383 1.774 0 40 EDAB CCN1CCN(C(=O)[C@@H](C)n2cc(COc3ccccc3)nn2)CC1 257173455 NYUGAKPHZDDFIS-OAHLLOKOSA-N 343.431 1.582 0 40 EDAB CC(=O)N1CCO[C@](C)(C(=O)NCc2c(F)cccc2Cl)C1 257223756 DYRPJGHKVDDUGO-HNNXBMFYSA-N 328.771 1.733 0 40 EDAB CN(C)Cc1cnc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)[nH]1 257334145 YESIBDBRFDGSOE-INIZCTEOSA-N 343.431 1.399 0 40 EDAB Cn1nnnc1S[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O 272892744 AYOIFVOPJQHAFM-SECBINFHSA-N 331.323 1.418 0 40 EDAB C[C@H](C[S@@](C)=O)N(C)C(=O)Nc1nnc([C@H]2CCCO2)s1 603161772 DHBDFLHEPXMVFM-FQJNGZCASA-N 332.451 1.620 0 40 EDAB CC(=O)NC[C@@H]1CN(C(=O)CCCC(C)C)C[C@H]1c1cncn1C 1615551746 YKYYSXCFVBSGKM-HZPDHXFCSA-N 334.464 1.925 0 40 EDAB CN(CC1CCC1)c1nnnn1C1CCN(C(=O)c2ccco2)CC1 1616033046 ZDNFHBYJVBODQV-UHFFFAOYSA-N 344.419 1.980 0 40 EDAB COC1(CO)CCN(c2nnnn2CCCc2ccccc2)CC1 1616034228 YIVHOOWFAKMEFC-UHFFFAOYSA-N 331.420 1.284 0 40 EDAB CN(C)C(=O)C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1O 585276724 DGPTXTLRKLOLCR-JSGCOSHPSA-N 330.350 1.976 0 40 EDAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1ccccc1)C2 585103058 OPAJSRCJMNDTRP-MRXNPFEDSA-N 338.473 1.607 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCOC[C@H]2c2ncc(C)[nH]2)c1C 585181457 KMFYMPDNCFICIF-LBPRGKRZSA-N 339.421 1.005 0 40 EDAB CCn1cc(CN2CCO[C@@](CO)(Cc3ccccc3F)C2)cn1 585275363 DBJBKUPUQVWSFG-SFHVURJKSA-N 333.407 1.848 0 40 EDAB Cc1ccccc1OC[C@]1(O)COCCN(C2CCN(C)CC2)C1 585275372 DGFSNRGEIFNYLC-LJQANCHMSA-N 334.460 1.531 0 40 EDAB CC[C@H]1CN(C(=O)Cn2c(-c3ccccc3C)noc2=O)CCO1 58290420 CZVVAISANSOFPG-ZDUSSCGKSA-N 331.372 1.449 0 40 EDAB COC(=O)C1CCN(C(=O)COc2ccc3c(c2)CCCC3=O)CC1 58332165 WWDOXNXILOOAGR-UHFFFAOYSA-N 345.395 1.996 0 40 EDAB COc1ccc(NC(=O)[C@H]2CS[C@@]3(C)CSCC(=O)N23)cn1 40554201 DIUZXVZSLJTWIW-YGRLFVJLSA-N 339.442 1.436 0 40 EDAB Cc1nc(COc2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2)no1 41999410 YTZWPETVVFZHHU-CYBMUJFWSA-N 344.371 1.295 0 40 EDAB COc1c(F)c(F)cc(C(=O)N2CC(Cn3cncn3)C2)c1F 952989450 FLUJRHRDSAYRIJ-UHFFFAOYSA-N 326.278 1.476 0 40 EDAB CO[C@H]1[C@H](CNC(=O)Cc2c(F)cccc2F)COC[C@H]1OC 1615131165 VJVRYBBFLCTCGB-HQQWDMGQSA-N 329.343 1.300 0 40 EDAB Cc1cc2n(n1)C1(CCN(C(=O)c3cccnc3)CC1)CC(=O)N2C 1772596148 LHWJNJUQYUOJFK-UHFFFAOYSA-N 339.399 1.585 0 40 EDAB Cn1cc(C2=NO[C@@H](C(=O)NCCCc3ccc(F)cc3)C2)cn1 12193554 BFGZNPCEPJZWPO-MRXNPFEDSA-N 330.363 1.801 0 40 EDAB C[C@]12CN([C@@H]3CCSC3)C[C@H]1C(=O)Nc1ccccc1C(=O)N2 12337894 VUVBYTGHSUUNGS-ZUCKAHLUSA-N 331.441 1.565 0 40 EDAB CNP1(NC)=N[P@@](NC)(N2CC2)=N[P@](NC)(N2CC2)=N1 16952286 AWFLVMILNQNDCC-WOJBJXKFSA-N 339.265 1.347 0 40 EDAB COc1ccc([C@@H]2CC(=O)C[C@@H](Nc3nonc3N)C2)c(OC)c1 19974032 LWPSRWXPBFGCOV-UWVGGRQHSA-N 332.360 1.986 0 40 EDAB CCN(C)S(=O)(=O)c1c(C)nn(C[C@@H](O)C(F)(F)F)c1C 158355931 WVWOEERZPMPIKS-SECBINFHSA-N 329.344 1.064 0 40 EDAB C[C@H](C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C)N1CCOCC1 19079752 QKNKQMLEXIMPKU-CZUORRHYSA-N 346.406 1.486 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 11332136 ANBXRKOMENNCKP-ZDUSSCGKSA-N 349.362 1.552 0 40 EDAB CN1N=C(C(=O)NCc2ccc(Cn3cccn3)cc2)CCC1=O 12626541 NUGSDECTYNLKKY-UHFFFAOYSA-N 325.372 1.156 0 40 EDAB Cc1cc(C)nc(N2CCN(c3nc(O)cc(C(F)F)n3)CC2)n1 1888855800 LDBRCVASCSUXNJ-UHFFFAOYSA-N 336.346 1.853 0 40 EDAB CSc1nc(C)cc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 1889101147 CDPVIZVYRXWTNH-CYBMUJFWSA-N 336.461 1.582 0 40 EDAB COCCNC(=O)NC(=O)CN(C)Cc1nc2ccccc2s1 15515339 CGQDEPMLOPHIOV-UHFFFAOYSA-N 336.417 1.200 0 40 EDAB COc1cccc(OC[C@H](O)CN2CCN(c3ncccn3)CC2)c1 25229624 DIRFRJKLQBYCDQ-OAHLLOKOSA-N 344.415 1.047 0 40 EDAB O=S(=O)(NCCn1ccc(-c2cnccn2)n1)c1ccccc1F 238824712 DLRSQOXJWZTEAW-UHFFFAOYSA-N 347.375 1.458 0 40 EDAB Cc1nc(C(=O)N2C[C@@H]3OCCN(Cc4cccnc4)[C@@H]3C2)cs1 1565549654 YCBBTCUBAKHVRE-CVEARBPZSA-N 344.440 1.572 0 40 EDAB COCc1nn(C(C)C)c2c1CCN(C(=O)CCc1cncnc1)C2 1565544220 BEOGIOMPHHGQHV-UHFFFAOYSA-N 343.431 1.918 0 40 EDAB O=C(NCCCc1ccccc1)C(=O)NC[C@@H]1COC2(CCCC2)O1 5352525 JUERHSGZNHMZTH-MRXNPFEDSA-N 346.427 1.537 0 40 EDAB C[C@H]1CN(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)C[C@@H](C)O1 40047534 MNOXCTXTCHVADV-PHIMTYICSA-N 340.807 1.908 0 40 EDAB CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 20003843 USKUFWKGXGFLRV-UHFFFAOYSA-N 336.335 1.605 0 40 EDAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CSCC1=O 40457544 IAFYNENKPMUIHQ-UHFFFAOYSA-N 336.413 1.339 0 40 EDAB CCN1C[C@H](CN(C)C(=O)c2ccc[nH]c2=O)Oc2ccccc21 40476620 ZBKFPFFGGZPADL-ZDUSSCGKSA-N 327.384 1.734 0 40 EDAB CCc1cc2c(NCCC(=O)NCCNC(C)=O)ncnc2s1 31868905 KZFDNYARGLERKZ-UHFFFAOYSA-N 335.433 1.308 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(-n2cccn2)nc1 40508767 GEDJHDYORWNLEZ-UHFFFAOYSA-N 346.354 1.560 0 40 EDAB C[C@H]1C(=O)[C@H](C(=O)NCc2ccco2)C(=O)N1Cc1ccccc1 101817968 FWPSHNCHHMJDCI-SWLSCSKDSA-N 326.352 1.512 0 40 EDAB COc1cccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)n1 32876261 ZLACTUYETMUOBU-UHFFFAOYSA-N 338.385 1.933 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCN(Cc2ccccn2)CC1 32823120 XBLJABHKJLVYKK-UHFFFAOYSA-N 327.432 1.319 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCCS(=O)(=O)Cc1ccccc1 41617563 SYNSQGMXZYHSPR-UHFFFAOYSA-N 349.456 1.311 0 40 EDAB CC(=O)N1CCCN(C(=O)CCc2nnc(-c3ccccc3)o2)CC1 53356497 QICTUBUECCFVAP-UHFFFAOYSA-N 342.399 1.750 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 53853390 JOUCYJMOWBTGFN-NXEZZACHSA-N 348.403 1.947 0 40 EDAB Cc1cc(=O)c(C(=O)Nc2nc[nH]n2)nn1-c1ccccc1Cl 23142050 JTOXBUUTKMNYIK-UHFFFAOYSA-N 330.735 1.565 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H](c1ccccc1)c1ccccn1 47594094 RLTKDEUWTXHUAM-GDBMZVCRSA-N 345.424 1.657 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1 47693696 NUTBGOBINVPFKU-UHFFFAOYSA-N 338.371 1.324 0 40 EDAB O=S(=O)(/C=C/c1ccccc1)N1CCCN(c2ncccn2)CC1 78048856 WYAYEKZIIMDLIC-OVCLIPMQSA-N 344.440 1.989 0 40 EDAB O=C(NC[C@H](NC(=O)[C@@H]1CCCO1)C1CCCCC1)[C@@H]1CCCO1 78623659 TVUVSTLELDXKAU-JYJNAYRXSA-N 338.448 1.526 0 40 EDAB CCC(CC)[C@@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCCC1 42869311 CBCLCMNEFDNHDQ-HUUCEWRRSA-N 345.509 1.373 0 40 EDAB C[C@@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)NC1CC1 24118460 IBHMCLOBYQSGAU-MRVPVSSYSA-N 332.278 1.847 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1C[C@H](O)COc1ccc(Cl)cc1 24209854 PLUSBWNKWMDBOJ-LBPRGKRZSA-N 338.791 1.944 0 40 EDAB Cc1c(C(=O)NCCN2CCCCCC2=O)cnn1-c1ccccn1 42919804 PJOXYNVCVYWIRE-UHFFFAOYSA-N 341.415 1.708 0 40 EDAB O=C1CC(=O)NC(SCC(=O)Nc2nc3c(s2)CCCC3)=N1 4110450 OEJKUNCDIRZQRN-UHFFFAOYSA-N 338.414 1.096 0 40 EDAB CCN1C(=O)[C@H]2[C@@H](c3ccccc3F)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 4884596 UMDOTPGLDWJGAM-IPJQOSJUSA-N 334.347 1.023 0 40 EDAB CCc1nc(NC(=O)CN2CCN(CCOC)[C@@H](C)C2)sc1C 106776742 CNRAYUYOJWTXJT-LBPRGKRZSA-N 340.493 1.605 0 40 EDAB Cc1cc([C@H](C)NC(=O)CN(C)c2ncnc3[nH]cnc23)c(C)o1 95956201 LPLNCRFZDISXFW-JTQLQIEISA-N 328.376 1.876 0 40 EDAB CCc1nc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc1C 44702206 YJGXMYXMMHFJFM-JTQLQIEISA-N 331.463 1.624 0 40 EDAB O=C1CCCN1CCCNS(=O)(=O)C1=Cc2ccccc2CC1 44894736 ZKAYGFOAFUSEDA-UHFFFAOYSA-N 334.441 1.906 0 40 EDAB Cc1cc2n(n1)C[C@H](CNC[C@@H](O)CO[C@@H](C)c1ccccc1)CN2 58299940 YVMHKCCLAPZDNQ-LZLYRXPVSA-N 344.459 1.962 0 40 EDAB NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)F)C1 58267099 IYRXYDCNLKRTLR-VIFPVBQESA-N 334.344 1.174 0 40 EDAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)c[nH]1 58244496 ILTOPVIHVYHFRB-UHFFFAOYSA-N 349.368 1.862 0 40 EDAB COc1ccccc1[C@@H](NC(=O)N(CCO)C1CC1)c1nccn1C 44967252 FONGBVISQAOOIX-MRXNPFEDSA-N 344.415 1.684 0 40 EDAB Cc1cc(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)n(C)n1 44937039 WXZGHHDSADZVQT-CYBMUJFWSA-N 344.419 1.670 0 40 EDAB O=C1CNC(=O)N1Cc1cccc(N2C(=O)Cc3ccccc3C2=O)c1 44977830 HOCVHACCPBNUDN-UHFFFAOYSA-N 349.346 1.468 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)NC1CCN(c2ncccn2)CC1 44954141 WBYHGQBBZQNRKT-ZDUSSCGKSA-N 329.404 1.969 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNS(=O)(=O)c2ccc(C(N)=O)cc2)C1 44937485 HFJCEWULJHZIMI-BETUJISGSA-N 339.461 1.042 0 40 EDAB CC(C)CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 22509974 VRLQWTXSRKHSRX-ZDUSSCGKSA-N 346.836 1.639 0 40 EDAB O=C(Nc1cnccn1)c1cccc(S(=O)(=O)N2CCCC2)c1 10434389 BUEVUNJCQWLTTK-UHFFFAOYSA-N 332.385 1.513 0 40 EDAB COc1ccccc1C(=O)NCCC(=O)Nc1c(C)nn(C)c1C 45000146 OHZREDBIPLXRRW-UHFFFAOYSA-N 330.388 1.804 0 40 EDAB Cc1cc2n(n1)C[C@@H](CN[C@@H](Cc1ccccc1)CN(C)C)CN2 58428877 XKKFBGBQQILOJM-ROUUACIJSA-N 327.476 1.996 0 40 EDAB CC(=O)c1sc2nc(CSc3nnnn3C)[nH]c(=O)c2c1C 3353290 GFQNXRLEJIAQIQ-UHFFFAOYSA-N 336.402 1.311 0 40 EDAB COc1c(CNCCCS(=O)(=O)c2ccccc2)c(C)nn1C 58428051 SSWIRCQFSLESME-UHFFFAOYSA-N 337.445 1.691 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(N2CCOCC2)cc1 58428784 UKVRPECLPXVQAW-MSOLQXFVSA-N 345.443 1.116 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 58404137 SCOBAJMIKZSZNH-LSDHHAIUSA-N 338.429 1.426 0 40 EDAB CN(C)C1(C(=O)N2CCN(c3ncnc4sccc34)CC2)CCC1 89313958 PKLDBJZTBSTAKV-UHFFFAOYSA-N 345.472 1.824 0 40 EDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NN1Cc3ccccc3C1=N)OC2=O 100931590 RRWDHNIYNFXVTN-QZTJIDSGSA-N 327.384 1.981 0 40 EDAB C[C@H](Cn1ccc(C(F)(F)F)n1)NC(=O)c1nc2ncccn2n1 36618695 AOQIGHWWORZWGH-MRVPVSSYSA-N 339.281 1.158 0 40 EDAB Cn1ncc2c(SCCN3C(=O)c4ccccc4C3=O)ncnc21 11675816 OEBZCIKVAROWMS-UHFFFAOYSA-N 339.380 1.752 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)Cn1cnc2ccccc2c1=O 46016383 UNTVDPBGVRWKLX-HNNXBMFYSA-N 337.383 1.324 0 40 EDAB CN(CC(=O)N[C@H]1CCCCNC1=O)Cc1c(F)cccc1Cl 46037718 CTVGYFYBMBFFJO-AWEZNQCLSA-N 341.814 1.696 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)NCCc1ccc(Cl)s1 46480119 ACCWRQWJLGFWPH-NSHDSACASA-N 331.869 1.964 0 40 EDAB CCOc1cccc2c1OCC(C(=O)NC1CCN(C(C)=O)CC1)=C2 46761508 DBTZRIOEXCWYDN-UHFFFAOYSA-N 344.411 1.988 0 40 EDAB COc1ccc(/C=C/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1F 12944458 QDMIBRDUNRHYLO-FVOPLDGLSA-N 327.377 1.493 0 40 EDAB C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23 38605878 BTHCJHQOYFUIMG-BQSAVQNUSA-N 337.416 1.273 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@@H]2CCCCN2C1 95406155 GPBOVNOZHADSEL-SQNIBIBYSA-N 342.439 1.987 0 40 EDAB CN(C)[C@H](C(=O)N1CCN(C2CC2)C(=O)C1)c1c(F)cccc1F 95449925 WJSHHVJHRGPBFJ-INIZCTEOSA-N 337.370 1.401 0 40 EDAB COc1ccc(NC(=O)c2cnccn2)cc1OCC(=O)NC1CC1 49271911 TWAANFWZQMDITO-UHFFFAOYSA-N 342.355 1.395 0 40 EDAB CNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccccc2)cc1 13844580 MZDPEOXEOOETMY-FMIVXFBMSA-N 330.409 1.924 0 40 EDAB COc1ccc(OCC(=O)Nc2ccc(-n3cnnn3)cc2)cc1 6287604 OCTFTHJRMQSOCI-UHFFFAOYSA-N 325.328 1.688 0 40 EDAB Cc1cn(CC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c2ccccc12 65323549 KFWHAWBZIAINQJ-JKSUJKDBSA-N 327.428 1.929 0 40 EDAB CSc1ccc(N2C[C@@H](C(=O)NCCN(C)C3CC3)CC2=O)cc1 65433729 HOUGNDDGMHAHED-ZDUSSCGKSA-N 347.484 1.972 0 40 EDAB COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 65512428 IWVXRKAWVVKWFC-CVEARBPZSA-N 344.411 1.242 0 40 EDAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2F)n1 65531282 QVYYKMNMBXZMBK-UHFFFAOYSA-N 337.376 1.788 0 40 EDAB CNC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccccc1F 65606923 XZDJTUHPUHIPNU-UHFFFAOYSA-N 338.360 1.995 0 40 EDAB CCCN(C(=O)c1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 14246303 JZZIDWVWWAPPIJ-LBPRGKRZSA-N 341.429 1.743 0 40 EDAB CC(C)CCn1c(=O)c2ccccc2n2c(SCC(N)=O)nnc12 5492228 AGVRPBMCTLFVLA-UHFFFAOYSA-N 345.428 1.668 0 40 EDAB O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)nc1 5484443 JRSUNBRIIKTHLC-UHFFFAOYSA-N 336.764 1.512 0 40 EDAB O=C(c1cc(Br)c[nH]1)N1CCN(C(=O)C2CC2)CC1 25167688 ZPZSQMIKKOXKLI-UHFFFAOYSA-N 326.194 1.472 0 40 EDAB C[C@H](C(=O)N(C)C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 67488570 CDAACIFPVRQXHK-MRVPVSSYSA-N 333.793 1.362 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)Cc1c(F)cccc1F)C2 95452350 OMCZIYBGISUNDQ-LLVKDONJSA-N 341.383 1.904 0 40 EDAB O=c1[nH]nc2ccc(N3CCC[C@H](CN4CCCCCC4)C3)nn12 95412033 YUDAXDDGNCVOEG-CQSZACIVSA-N 330.436 1.510 0 40 EDAB O=C(NCc1cccc(Br)c1)N1CCS(=O)(=O)CC1 71803949 CHQKQYLLSMYLSS-UHFFFAOYSA-N 347.234 1.389 0 40 EDAB Cc1nc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c[nH]1 71893226 GQVWLODYMOSZNC-UHFFFAOYSA-N 348.428 1.006 0 40 EDAB C[C@H](NCCn1cccn1)C(=O)N1CCN(Cc2ccccc2)CC1 71879231 JJOXJFBGJPWPLN-KRWDZBQOSA-N 341.459 1.206 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)NCc1ccccn1 71880600 LBZPGYATZPPDHQ-SJORKVTESA-N 330.432 1.173 0 40 EDAB Cc1cccc(C(=O)N2CCN(C[C@@H](C)O)CC2)c1-n1cccc1 71871256 NYUWNPDDZXUQTQ-MRXNPFEDSA-N 327.428 1.924 0 40 EDAB CCCc1noc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)n1 71871648 ZRUJDVRHSAFTRK-UHFFFAOYSA-N 346.435 1.990 0 40 EDAB Cc1cccc(C)c1OCC(=O)N1CCC(CS(N)(=O)=O)CC1 71846959 MATFVVZCLLBXQO-UHFFFAOYSA-N 340.445 1.209 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2CC(=O)NCc2ccccn2)n1 70003750 QBSRJQAAWGNQDD-KRWDZBQOSA-N 327.432 1.676 0 40 EDAB C[C@@H](CC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 69369972 VDXZQBPRRUSNML-HNNXBMFYSA-N 344.459 1.673 0 40 EDAB CC(C)OCCCNC(=O)CN(C)S(=O)(=O)c1cccs1 8328563 RRTSIRYUXGRZRS-UHFFFAOYSA-N 334.463 1.300 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cn1c(=O)cnc2ccccc21 69490765 JABAXYUISDIGHT-IRXDYDNUSA-N 340.427 1.482 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCN([C@H](C)c3nc(C)no3)CC2)on1 69434488 YZOQAFKTEZHFGY-VXGBXAGGSA-N 348.407 1.380 0 40 EDAB C[C@@H](Cn1cccn1)NCC(=O)NCCOc1ccc(Cl)cc1 71879147 SAYDEMLCFMSJOF-ZDUSSCGKSA-N 336.823 1.710 0 40 EDAB CC(C)[C@](O)(CN1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 69533013 LXPKKSSPUNYSSB-DLBZAZTESA-N 340.489 1.544 0 40 EDAB O=C(Nc1ccc(-n2cnnn2)cc1)N1CCC[C@@H]1CN1CCCC1 69592622 YOJMZVVKFORIBI-MRXNPFEDSA-N 341.419 1.754 0 40 EDAB O=C(c1nccn2ccnc12)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 91763187 GUKPDQZEPUFWBX-SMDDNHRTSA-N 344.321 1.956 0 40 EDAB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)[C@H]1C=C[C@@]2(C2OCCO2)O1 409305011 MMSYFOYTQXYIRP-IPJQOSJUSA-N 331.299 1.012 0 40 EDAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)C1=NO[C@@H](c2ccccc2)C1 69654781 QPWJFSFWAVCAOK-LSDHHAIUSA-N 347.440 1.884 0 40 EDAB Cc1ccc(N(C)C2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)nn1 69666603 PUVBVGLJIIQXGH-UHFFFAOYSA-N 341.415 1.225 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)no1 71900250 RFHUTAZTNNQGCA-GFCCVEGCSA-N 333.219 1.606 0 40 EDAB C[C@@H](NC(=O)c1ccc(-n2cccc2)c(F)c1)C(=O)N1CCOCC1 69772493 WZODXUPANXWWFB-CYBMUJFWSA-N 345.374 1.594 0 40 EDAB O=c1oc2ccccc2n1CCCN1CCC[C@H]1Cn1cncn1 69742209 ZJANNPFVNBHLDI-AWEZNQCLSA-N 327.388 1.741 0 40 EDAB COc1ccccc1CCNC(=O)NCC(=O)Nc1cccnc1 69871509 MGXFVPGSZFJEHA-UHFFFAOYSA-N 328.372 1.571 0 40 EDAB CCN(C(=O)c1cccc(C(=O)OC)c1)[C@@H](C)CS(=O)(=O)CC 69845001 MDPNEGRMENMRBE-LBPRGKRZSA-N 341.429 1.759 0 40 EDAB CC[C@@H]1C(=O)NCCN1C(=O)c1cc(F)cc(Br)c1 69811936 WVGWNKJXENGNFM-LLVKDONJSA-N 329.169 1.939 0 40 EDAB CCCCN(C)S(=O)(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 69846285 IYZJVVVWEJQIED-CYBMUJFWSA-N 343.424 1.497 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)NC1CC1)C1CC1 71185130 PELRJVQHWMQZPF-SNVBAGLBSA-N 325.409 1.169 0 40 EDAB NC(=O)c1ccc(NCC(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1 74058315 TVYONDVWXZQRTB-HNNXBMFYSA-N 344.459 1.532 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)C[C@@H]3CCOc4ccccc43)CCO2)n1 72299553 KLUSRXZNWDQXRD-BBRMVZONSA-N 342.399 1.969 0 40 EDAB CC[C@@H]1CN(Cc2nnc(Cc3ccccc3)o2)CCN1C[C@@H](C)O 72279800 CJBDTCTWPZQNEK-NVXWUHKLSA-N 344.459 1.937 0 40 EDAB COc1ccccc1C1(CNC(=O)N(C)CCN2CCOCC2)CC1 72274300 SNUUIUDJUDDRIQ-UHFFFAOYSA-N 347.459 1.700 0 40 EDAB CCn1ncc2c1CCC[C@H]2NCc1cnc(N2CCOCC2)nc1 72298498 JWGQBBGULIQOBS-MRXNPFEDSA-N 342.447 1.697 0 40 EDAB O=C1C[C@@H](C(=O)N[C@@H]2CCc3nccn3C2)c2ccc(F)cc2N1 97197755 PKVJPKGPZNTESU-DGCLKSJQSA-N 328.347 1.579 0 40 EDAB Cc1noc([C@H]2COCCN2C[C@H](O)COc2ccc(F)cc2)n1 97109116 YHRXXSPDRPXUBR-DZGCQCFKSA-N 337.351 1.330 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)CCn1c(=O)oc3ccccc31)C2 97198181 NETBCEYXCDUWJJ-ZDUSSCGKSA-N 340.383 1.621 0 40 EDAB O=c1cc(CN2CCO[C@@H](c3nccs3)C2)nc2sccn12 97203891 BDIVFSPUVTZVNC-LLVKDONJSA-N 334.426 1.786 0 40 EDAB O=C1[C@@H]2CCCN2C(=O)N1CCc1ccn(-c2ccc(F)cc2)n1 97232297 NJMPKLDNBVEYEB-HNNXBMFYSA-N 328.347 1.981 0 40 EDAB Cc1cnc(CN2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)o1 97373811 XEMFIXYGOZDSRQ-INIZCTEOSA-N 348.834 1.981 0 40 EDAB NS(=O)(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 95394152 PAHUCOMWAUNJTL-HZPDHXFCSA-N 332.425 1.738 0 40 EDAB COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1)C(C)(C)C 95398853 XNRQEAVIQWHQPH-VXGBXAGGSA-N 327.425 1.084 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)COC(=O)[C@@H]3C[C@H]3C)CC2)cc1 95349100 ZBVOPOHKDUEODU-CXAGYDPISA-N 344.411 1.737 0 40 EDAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCN2CCCC[C@@H]2C1 75125616 UDGURGVIGAECES-CYBMUJFWSA-N 327.384 1.945 0 40 EDAB Cc1cc(CS(=O)(=O)CCn2cnc3ccccc3c2=O)no1 89604969 MIMPYENOHOGGCV-UHFFFAOYSA-N 333.369 1.308 0 40 EDAB Cn1ccc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)cc1=O 75379151 VWEIFEMYTTZEDR-UHFFFAOYSA-N 335.367 1.300 0 40 EDAB CCCCn1nc(C(=O)NCCc2ccc(C(=O)O)cc2)ccc1=O 89954912 UCIJHNANCQQEMW-UHFFFAOYSA-N 343.383 1.714 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)N(C)Cc3ccccc3)CCO2)n1 76042563 JJRLXVMJTRABBI-BBRMVZONSA-N 343.431 1.534 0 40 EDAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC(C)C)cc1 408588265 FGYABUUIZGOMCF-LBPRGKRZSA-N 328.434 1.665 0 40 EDAB Cc1cccc(NC(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)n1 547694768 ASVCZQPQIWFKSD-CYBMUJFWSA-N 337.387 2.151 0 40 EDAB CS(=O)(=O)N1CCc2nc(NC(=O)c3cccs3)sc2C1 70638672 UBAAMTBIHLHRRC-UHFFFAOYSA-N 343.455 1.775 0 40 EDAB Cn1cc(-c2cnc3n2C[C@@H]2CN(Cc4ccccn4)C[C@H]2C3)cn1 306139062 SOHKUPKMVOUKHZ-ZBFHGGJFSA-N 334.427 1.983 0 40 EDAB CO[C@@H](CS(=O)(=O)N1CCC[C@@H](C(=O)O)C1)c1ccc(F)cc1 530139728 NRXQPSGPHUQMPF-OCCSQVGLSA-N 345.392 1.640 0 40 EDAB COCCCNC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 409001501 ISRBJLKTTJFZOX-AWEZNQCLSA-N 334.372 1.467 0 40 EDAB COc1ccc(-c2nc(Cc3noc(Cn4cncn4)n3)co2)cc1 78773946 WJAHYDCVGKTYIJ-UHFFFAOYSA-N 338.327 1.964 0 40 EDAB COc1cccc(Oc2cncc([C@H]3CCCN(CC(N)=O)C3)n2)c1 72361842 ZWQNTMLASFXPNO-ZDUSSCGKSA-N 342.399 1.942 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@H](C)N(CCN(C)C)[C@@H](C)C2)cc1 36075931 KPXHOLANEHQTMJ-HOTGVXAUSA-N 339.505 1.640 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N(C)[C@@H]1CCc2ccccc2C1 74678116 VBDOPCPFZABYFP-MRXNPFEDSA-N 338.473 1.674 0 40 EDAB CCc1cnc(CCNS(=O)(=O)c2c[nH]c(C(=O)O)c2)s1 564517001 KMADUCAUKWWFHV-UHFFFAOYSA-N 329.403 1.253 0 40 EDAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)NCc3ccccn3)cc2o1 80633588 NJZMMKRBMTUAKQ-UHFFFAOYSA-N 339.760 1.648 0 40 EDAB Cc1cc(CNC(=O)COc2nn(-c3ccccc3)cc2C)n(C)n1 226852134 POPPRRZRKNNASS-UHFFFAOYSA-N 339.399 1.918 0 40 EDAB O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCc1ccccn1 49026134 NLWDBXWAQMAYQY-UHFFFAOYSA-N 328.347 1.779 0 40 EDAB CCOCCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 224388032 RBVVBWANWJXUQQ-UHFFFAOYSA-N 340.445 1.773 0 40 EDAB CO[C@H](C)CS(=O)(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C 195454664 IFFRVLWBRLGQLN-FMKPAKJESA-N 326.462 1.461 0 40 EDAB COCCCNC(=O)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 223392947 GOMHISUVHPIFAX-MRXNPFEDSA-N 329.400 1.812 0 40 EDAB COc1ccc2nnc(C(=O)N3CCN(c4ccccc4)CC3)nc2c1 46088299 GXPMGPWKSXVOEW-UHFFFAOYSA-N 349.394 1.996 0 40 EDAB CCc1ccccc1S(=O)(=O)NCCN1CCN(CC)CC1 193991193 ZIQHDJRHZVCQBP-UHFFFAOYSA-N 325.478 1.165 0 40 EDAB Cc1cc(CN2CCN([C@@H](C)C(=O)Nc3nccs3)CC2)no1 42505146 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QSXCCBNFGQUCEA-GJZGRUSLSA-N 325.372 1.225 0 40 EDAB CCn1nnc2c(N3CC(C(=O)N4CCc5ccccc54)C3)ncnc21 96096783 RGYYXSWKCZQZRF-UHFFFAOYSA-N 349.398 1.267 0 40 EDAB CC(C)Cn1cc(N2C[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cn1 96192181 PNDDGNUPUXDJQG-QLFBSQMISA-N 348.447 1.528 0 40 EDAB O=S(=O)(C(F)F)N1CCC(CNc2cncc(Cl)n2)CC1 95396199 TZRIWZPDEDUPRK-UHFFFAOYSA-N 340.783 1.806 0 40 EDAB C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1Cc1ccccn1 96062020 BSSUXAQUHFYOPB-MRXNPFEDSA-N 340.475 1.602 0 40 EDAB O=C(c1ccccn1)N1CC[C@@H]2[C@@H](CO[C@H]2CNc2ncccn2)C1 96185386 HJFXGZWMOFGMAC-FMKPAKJESA-N 339.399 1.461 0 40 EDAB CCN(CCS(C)(=O)=O)Cc1ncsc1Br 585094389 VZYGMMNECCQSBA-UHFFFAOYSA-N 327.269 1.772 0 40 EDAB Cc1nc(CO[C@@H]2CO[C@]3(CCCN(C[C@H](C)O)C3)C2)cs1 248032689 MLTMFYUSEWZAMG-VBNZEHGJSA-N 326.462 1.972 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1 243079844 IQCGWGHBLVORBY-UHFFFAOYSA-N 347.396 1.562 0 40 EDAB C[C@@H]1CC[S@](=O)CCN1C(=O)C[C@@H](n1cccn1)C(F)(F)F 585108362 ZJUNWVJTZXVPNF-RUYXUOGBSA-N 337.367 1.746 0 40 EDAB Cc1ncc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)o1 585132844 ACBYPGZSFPQUBU-INIZCTEOSA-N 329.312 1.679 0 40 EDAB O=C(NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)N[C@@H]1CS(=O)(=O)c2ccccc21 252587617 ZMJKSAPOJZCEPC-KJMJJSJTSA-N 332.425 1.859 0 40 EDAB CC(=O)N1CCC[C@H]1c1nc(C)ncc1CNC(=O)c1cncs1 257321118 WADSMZDEHRUBRY-ZDUSSCGKSA-N 345.428 1.855 0 40 EDAB Cc1cc2cc(C(=O)N3CC[C@@](O)(CN4CCOCC4)C3)ccc2o1 257207839 BJNZUIAMDHZCIR-LJQANCHMSA-N 344.411 1.650 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 257309954 UDAUXHOZQKXCGR-OAHLLOKOSA-N 325.434 1.010 0 40 EDAB CNC(=O)c1cccc([C@@H]2CNCCN2Cc2scnc2C)c1 257251795 JSGXFMDEVUSZDX-HNNXBMFYSA-N 330.457 1.958 0 40 EDAB Cc1ncccc1C(=O)N(C)C[C@]1(O)CCCN(c2ncccn2)C1 257269256 MPFQXZFSTNOWNU-GOSISDBHSA-N 341.415 1.284 0 40 EDAB O=C(CCOc1ccccc1F)N1CC[C@@](O)(CN2CCCC2)C1 257296222 RBUAIMKJQXXJMT-GOSISDBHSA-N 336.407 1.654 0 40 EDAB CCCc1cc(C(=O)N2CCO[C@@H](c3nccnc3NC)C2)no1 257283817 OZYMNRXXILAWCW-CYBMUJFWSA-N 331.376 1.673 0 40 EDAB Cn1c(=O)oc2ccc(C(=O)N3CCC[C@H](c4ccn[nH]4)C3)cc21 257266578 MDPJQLHPJCIUSA-LBPRGKRZSA-N 326.356 1.874 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)c3cncnc3C)CCN2C)cc1 257294116 QSOMUCIELJXSPB-KRWDZBQOSA-N 326.400 1.923 0 40 EDAB Cc1noc(C)c1C[C@H](C)NC(=O)NC[C@@H](C)N1CCOC[C@H]1C 252477026 GZBNFEALGWAZDR-YNEHKIRRSA-N 338.452 1.631 0 40 EDAB COc1ccccc1[C@@H]1Cn2ccnc2CN1C(=O)CNC(C)=O 257298359 RLIZTQYAZQPXPL-AWEZNQCLSA-N 328.372 1.111 0 40 EDAB CCCn1nccc1-c1nccnc1C[C@@H]1CCN(S(C)(=O)=O)C1 257214900 CNXMOXSKJPFQLU-ZDUSSCGKSA-N 349.460 1.574 0 40 EDAB COc1cccc(OCC(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)c1 262893145 DDVRJXQFGZGTKR-CQSZACIVSA-N 347.289 1.940 0 40 EDAB CCCC(=O)N1CSC[C@H]1C(=O)Nc1nnc(-c2ccccn2)[nH]1 263864569 FQZOHAHNXDUCAA-NSHDSACASA-N 346.416 1.507 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNc1cccc(C(=O)O)n1 263431825 TVBFROAMXDIWGA-WDEREUQCSA-N 327.406 1.300 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)c1 373086084 AKGAMNLRNYIHHZ-UHFFFAOYSA-N 344.352 1.971 0 40 EDAB CC(C)[C@@]1(c2nc(-c3cccc(OCC(N)=O)c3)no2)CNC(=O)C1 1614997916 LONXPEKYLRXEKA-KRWDZBQOSA-N 344.371 1.014 0 40 EDAB C[C@@H]1CCCCN1C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 1615054639 PEBMYSIUSBZHCC-CYBMUJFWSA-N 333.436 1.609 0 40 EDAB O=C(Cc1noc([C@]23CC[C@H]2CNC3)n1)NCc1ccccc1F 1615058168 MAADWTNFYNOYDE-SJCJKPOMSA-N 330.363 1.319 0 40 EDAB Nc1ccn2ncc(C(=O)N3CCOC[C@@H]3C[C@H]3CCOC3)c2c1 1615552939 FLVHTQAMFWMMSO-OCCSQVGLSA-N 330.388 1.184 0 40 EDAB Cc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H]1C[C@H](C)O)S2(=O)=O 1615550170 QNKIDCZOXCHKQL-JGGQBBKZSA-N 337.441 1.455 0 40 EDAB CCn1cnc2c(c1=O)CCN(C(=O)C1(C(F)F)CCCC1)C2 606443265 CUVXLHVFYXSDRX-UHFFFAOYSA-N 325.359 1.973 0 40 EDAB CC(C)C[C@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100972093 JMPKMGUKLHYPQY-ARKGTOAJSA-N 346.427 1.067 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(CC[C@H](CNC(=O)c3cccnc3)CO2)C1 575405603 SORDXHJEBUCKCE-FMKPAKJESA-N 343.427 1.475 0 40 EDAB Cc1ccoc1C(=O)N1Cc2ccnn2[C@@H](CN2CCCC2=O)C1 575406430 PKJBXCKAEFAUKQ-AWEZNQCLSA-N 328.372 1.604 0 40 EDAB COC(=O)c1c(F)cccc1NS(=O)(=O)C[C@H](OC)C1CC1 585140462 FMCYOWDNGDCZAH-LBPRGKRZSA-N 331.365 1.779 0 40 EDAB CN1N=C(C(=O)N[C@H](c2ccccc2F)c2nccn2C)CCC1=O 29087387 ZXNPKSOMDKYYIJ-OAHLLOKOSA-N 343.362 1.373 0 40 EDAB CC(=O)N1CCN(C(=O)CN2C[C@@H](c3ccccc3)OC[C@@H]2C)CC1 67228543 ZSUJUONYJRJRRS-YJBOKZPZSA-N 345.443 1.139 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NCc1cccnc1N1CCOCC1 48955866 BODOUTKXHNHLAW-AWEZNQCLSA-N 344.419 1.003 0 40 EDAB COCc1cccc(CNC(=O)N2CCN(Cc3ccon3)CC2)c1 76085531 KVPPQMCPDNSMLJ-UHFFFAOYSA-N 344.415 1.848 0 40 EDAB CC(C)[C@H](NC1CCOCC1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 76305756 LQCLZRPMMVBXED-HNNXBMFYSA-N 333.388 1.853 0 40 EDAB COc1ccnc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)n1 891591374 HWOZIKMVRQGFCN-UHFFFAOYSA-N 328.420 1.030 0 40 EDAB O=C(NCc1ccco1)C(=O)NCC1(c2ccsc2)CCOCC1 952989305 BODKTKNWZDVHBQ-UHFFFAOYSA-N 348.424 1.822 0 40 EDAB CSCC[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1C)C(=O)O 13027300 NSESCEPNXJHXDZ-JTQLQIEISA-N 347.414 1.178 0 40 EDAB Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)c1cnn(C)c1)CC3 13226795 CNBUWZKGSFRHQV-UHFFFAOYSA-N 343.412 1.198 0 40 EDAB NC(=O)C1CCN(C2CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)CC1 575608463 YIESTEVSAFBFAO-UHFFFAOYSA-N 345.487 1.611 0 40 EDAB Cc1oncc1C(=O)NCC1(N2CCSCC2)CCOCC1 1888834262 NIXZCAZBHQLSHC-UHFFFAOYSA-N 325.434 1.311 0 40 EDAB Cc1cc(N2CCN(c3ccc(N(C)C)nn3)CC2)nc(C2CC2)n1 1888856941 YHZLZJKJFKNFLT-UHFFFAOYSA-N 339.447 1.845 0 40 EDAB Cc1nc(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nc(O)c1F 1888885507 QJSFQVLAGOPJNC-QWRGUYRKSA-N 338.383 1.933 0 40 EDAB CN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1CCCCC1 14118685 ZQELJZDBCVNDQG-UHFFFAOYSA-N 336.436 1.537 0 40 EDAB CN1C[C@H]2CN(C(=O)CCc3ccccc3F)CC[C@@H]2OCC1=O 2037985811 XBQHZMCBTKSGLU-HOCLYGCPSA-N 334.391 1.464 0 40 EDAB Cc1cccnc1C(=O)N1C[C@H]2CCN(CC(=O)N(C)C)CC[C@H]2C1 2056223654 YFWIHJJYWQRROF-IYBDPMFKSA-N 344.459 1.262 0 40 EDAB CCOc1ccc(CC(=O)NCCn2cnc(C3CC3)cc2=O)cc1 575608400 SYWDVTFZKOUMLP-UHFFFAOYSA-N 341.411 1.878 0 40 EDAB CCc1cc2c(CN3CCN(CCO)CC3)cc(=O)oc2cc1O 19371109 JQAWKPMGFWIPSL-UHFFFAOYSA-N 332.400 1.171 0 40 EDAB biogenic O=C(NCc1ccccc1)c1nc(N2CCOCC2)ncc1Cl 40488932 RCQBHFYGHDWUBB-UHFFFAOYSA-N 332.791 1.897 0 40 EDAB Nc1nc(COc2ccc(F)cc2Cl)nc(N2CCOCC2)n1 141153 DEICCHLVQHTUEP-UHFFFAOYSA-N 339.758 1.662 0 40 EDAB Cc1ccc(-c2nc(Cn3nc(-n4cncn4)ccc3=O)no2)cc1 40539759 UEHFFSXPFZBGKE-UHFFFAOYSA-N 335.327 1.231 0 40 EDAB C[C@@H](NC(=O)Cn1cccnc1=O)c1ccc2c(c1)OCCCO2 32284007 UFWRYUIYSRCAJJ-GFCCVEGCSA-N 329.356 1.282 0 40 EDAB Cc1ccsc1C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101572716 KSNPNDLSMDAVDE-ZDEQEGDKSA-N 330.409 1.593 0 40 EDAB CN1C[C@@H](C(=O)N[C@@H](c2ccccc2F)c2nccn2C)CC1=O 32319817 JSNGAJMZZFSBCJ-NHYWBVRUSA-N 330.363 1.243 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCn1cccn1 32453103 ASMDBLZQHBUUPO-GFCCVEGCSA-N 336.417 1.140 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCC(CN2CCOCC2)CC1 47387190 XPTIIKAAMOMACY-UHFFFAOYSA-N 340.427 1.814 0 40 EDAB CCOC(=O)c1c(N)sc2c1CN(C(=O)OC)N(C(=O)OC)C2 341077 XAOYOYCJWXXJEH-UHFFFAOYSA-N 343.361 1.572 0 40 EDAB Cc1cc(NC(=O)C(=O)N[C@H](C)c2cc(F)c(F)c(F)c2)n(C)n1 77760938 MEFGSVNPQZJTQC-MRVPVSSYSA-N 340.305 1.962 0 40 EDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(CCCc3cnn(C)c3)C2)C1=O 78899297 XVDHFCRMHXOQPP-PBHICJAKSA-N 333.436 1.005 0 40 EDAB CC(C)c1n[nH]c([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 78889196 WYQXOIWFZAJEMG-CYBMUJFWSA-N 332.408 1.505 0 40 EDAB O=C(CCn1cncn1)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 78901741 IPKWHROHEMXNHR-JTQLQIEISA-N 342.325 1.816 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(C)[C@@H](C)c1cccnc1 104854430 MCQZLLZOUOTFCR-LBPRGKRZSA-N 339.399 1.797 0 40 EDAB NC(=O)COC(=O)c1ccc(I)c(Cl)c1 79023170 PDZQPJPLHXPNAL-UHFFFAOYSA-N 339.516 1.587 0 40 EDAB Cc1cc(C)nc(N2CCC(C(=O)NCC3CCOCC3)CC2)n1 79478107 AAHAVPKGAPSYAU-UHFFFAOYSA-N 332.448 1.853 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)nnn3CC)C1 23977780 GLZDEHPMRFMVBZ-CYBMUJFWSA-N 330.388 1.867 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 4084601 ZRCISJCHAIJICE-OLZOCXBDSA-N 347.415 1.319 0 40 EDAB biogenic O=C(c1cc2ccccc2o1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 24044796 VWTTUTRBUYZERB-CQSZACIVSA-N 348.424 1.378 0 40 EDAB CN1CC[C@H](CNS(=O)(=O)N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 95447191 UKAFSTVGRLJOCD-RISCZKNCSA-N 349.859 1.868 0 40 EDAB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc(C)cc2)c1 6426798 VDRBPMCYQCXMIQ-UHFFFAOYSA-N 341.367 1.697 0 40 EDAB O=C(CNC(=O)c1ccccc1)O[C@@H](C(=O)O)c1ccc(F)cc1 6514624 ZPGGRVCGOMUFDI-OAHLLOKOSA-N 331.299 1.925 0 40 EDAB CCCCN1C(=O)C(=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 6778396 UNBXMDNXLVEJMV-UHFFFAOYSA-N 341.367 1.637 0 40 EDAB Cc1ccc(OCC(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 6845571 KHYJKLJMORFTRO-HMEQZMJYSA-N 326.352 1.212 0 40 EDAB CCNC(=O)N[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2)C[C@@H]1OC 106798080 XCDSIFBZOCXEHU-YUELXQCFSA-N 334.420 1.032 0 40 EDAB COC(=O)C1(NC(=O)c2ccc(S(C)(=O)=O)cc2)CCCCC1 25172056 KQJKTASWAVBXMQ-UHFFFAOYSA-N 339.413 1.696 0 40 EDAB C[C@H]1COCCN1[C@H](C)CNC(=O)N(C)Cc1cc(Cl)cn1C 107361699 JVABSCKFVXJYMF-OLZOCXBDSA-N 342.871 1.929 0 40 EDAB O=C(O)[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)CCO1 43702551 ZDLVZQPYELWSEZ-SNVBAGLBSA-N 332.125 1.514 0 40 EDAB CCOc1ccccc1N1C[C@H](C(=O)NCCn2ccnc2)CC1=O 43946064 FPAVCJNXHXBVJC-CQSZACIVSA-N 342.399 1.451 0 40 EDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CCCCC2)cc1 20245481 LPNVHGFSALIWIZ-UHFFFAOYSA-N 325.434 1.555 0 40 EDAB Cc1ccc2nc(CNC(=O)c3cccc(-n4cnnn4)c3)cn2c1 57267836 VWSSRYCFDGBIQY-UHFFFAOYSA-N 333.355 1.548 0 40 EDAB O=C(NC1CCN(c2[nH]cnc3ncnc2-3)CC1)[C@H]1C[C@H]2CC[C@H]1C2 108074925 MWRBCUPMHJHIGS-OBJOEFQTSA-N 340.431 1.826 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccc(S(C)(=O)=O)cc1 44335614 ASBWUNHLMHDPNL-DGCLKSJQSA-N 338.429 1.136 0 40 EDAB CCO[C@H]1CCCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)C1 57836754 HJLCLAFZIPUMSF-NRXISQOPSA-N 346.493 1.512 0 40 EDAB Cc1ccc(-n2cnnn2)cc1NC(=O)CCNC(=O)[C@H]1C[C@@H]1C 44600098 UAJSXMOOBKHCKE-AAEUAGOBSA-N 328.376 1.072 0 40 EDAB CNC(=O)[C@H]1CN(Cc2ccc(C(N)=O)cc2)c2ccccc2O1 27371422 OVLJPJDLNSGGCG-MRXNPFEDSA-N 325.368 1.299 0 40 EDAB CN(C(=O)COC(=O)Cn1c(=O)oc2ccccc21)c1ccccc1 10147512 XGCVVKHJPIYRBI-UHFFFAOYSA-N 340.335 1.801 0 40 EDAB Cc1cccnc1NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 27652112 UKIOXQLYUGAELN-UHFFFAOYSA-N 344.396 1.457 0 40 EDAB CC(C)c1ccc(O)c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 58228068 DVHCGGKKSIZDLK-UHFFFAOYSA-N 331.372 1.330 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1 58246844 KXAQTYDEKLLISC-LBPRGKRZSA-N 345.399 1.208 0 40 EDAB CC1CCN([C@H](C)CNC(=O)Cn2cnc3ccccc3c2=O)CC1 58279686 MZEKIMZSOXKLAU-OAHLLOKOSA-N 342.443 1.633 0 40 EDAB COc1ccc(C(=O)NCCC(=O)Nc2ccc(C)cn2)c(O)c1 58322990 RCAVRBAPXFUYTD-UHFFFAOYSA-N 329.356 1.863 0 40 EDAB CCCC(=O)NCC(=O)N1CCN(CCc2ccc(OC)cc2)CC1 58344641 HHZUJJLFYSJFDJ-UHFFFAOYSA-N 347.459 1.298 0 40 EDAB O=C(Nc1cccc(OCCn2cncn2)c1)c1ccc2[nH]nnc2c1 58447127 UDSTXOBXXYZYKK-UHFFFAOYSA-N 349.354 1.881 0 40 EDAB C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)C(N)=O 10650289 YBGJEYOSUQTNFY-JTQLQIEISA-N 331.347 1.921 0 40 EDAB C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1nccnc1C(N)=O 73846774 SCLAPZJBYUUHSM-JQWIXIFHSA-N 328.347 1.733 0 40 EDAB CCN(CCCNC(=O)c1c[nH]c2cc(F)ccc12)S(C)(=O)=O 95993610 GQYOYFGHUWRLKM-UHFFFAOYSA-N 341.408 1.708 0 40 EDAB CCC[C@@]1(C)NC(=O)N(C[C@H](O)COc2cccc(C(C)=O)c2)C1=O 51373672 VZTVCCJUUDLYGZ-KBXCAEBGSA-N 348.399 1.740 0 40 EDAB CCCCc1ccc(N2C[C@H](C(=O)NCCNC(C)=O)CC2=O)cc1 65401526 QHZWYNXXNNSZKO-MRXNPFEDSA-N 345.443 1.634 0 40 EDAB Cc1ccc(-n2nc(/C(O)=N/S(C)(=O)=O)ccc2=O)cc1Cl 48486740 SAONSYNGXGASEV-UHFFFAOYSA-N 341.776 1.459 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@H](C)c3ccccn3)CC2)on1 45560635 NVEJHDYNTBTSSZ-CQSZACIVSA-N 329.404 1.966 0 40 EDAB CCOCCNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 45642451 RIJKMTWHWQPFNA-UHFFFAOYSA-N 340.811 1.434 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2)C1 29192605 SDDGZVJHPSGPGC-AWEZNQCLSA-N 348.428 1.026 0 40 EDAB CCCCN(C)C(=O)c1ccc(S(=O)(=O)NCCOC)cc1 12930559 MMCAHDLFRKLXGG-UHFFFAOYSA-N 328.434 1.483 0 40 EDAB Cc1ccc(NC(=O)C[C@H]2SC[C@@H](C(=O)O)NC2=O)cc1Cl 20635153 LBCKTRXINOULKV-WDEREUQCSA-N 342.804 1.662 0 40 EDAB COCCN1C[C@H](C(=O)N2CCC[C@H]2Cc2cccc(F)c2)CC1=O 46626167 LVEDNZJIGYIRAZ-WBVHZDCISA-N 348.418 1.854 0 40 EDAB COc1ccccc1CNCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 48783294 XXBWPSDOJPPLBJ-OKILXGFUSA-N 342.461 1.224 0 40 EDAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(C)cc1 3903497 QYLMZOSCRKUEBH-ZXFNITATSA-N 334.368 1.381 0 40 EDAB COc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1 13572011 QMNFNLZCXXUEPN-UVTDQMKNSA-N 336.376 1.769 0 40 EDAB CCc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 4386355 NSANFNSSRMKTDC-UHFFFAOYSA-N 325.372 1.148 0 40 EDAB COc1ccccc1[C@H](CNS(=O)(=O)N(C)C(C)C)N(C)C 65494371 XDPGGKCOOYMBDT-AWEZNQCLSA-N 329.466 1.473 0 40 EDAB CC(C)CCNC(=O)NC(=O)COC(=O)c1n[nH]c2ccccc12 6313602 ZMTRIDNMYAAKIF-UHFFFAOYSA-N 332.360 1.592 0 40 EDAB CN(CCOc1ccc(Cl)cc1)Cc1nc(N)nc(N(C)C)n1 14197467 AVEKZKBPUKFDIW-UHFFFAOYSA-N 336.827 1.684 0 40 EDAB O=C(C1CC(F)C1)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306123235 AIEFVHOPFIBIPV-OTTFEQOBSA-N 338.354 1.965 0 40 EDAB O=C(OCC(=O)N1CCc2sccc2C1)c1ccc(CO)cc1 14261391 NSXYYIOPAONUGL-UHFFFAOYSA-N 331.393 1.982 0 40 EDAB CN1CCN(c2nc(N3CCOCC3)nc3c2SCCC3)CC1 9418933 JFOXRDNUPZODBX-UHFFFAOYSA-N 335.477 1.103 0 40 EDAB C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)N1CCOCC1 66934547 WVNSWBDDWFPNHI-UKRRQHHQSA-N 326.418 1.025 0 40 EDAB COc1ccc2c(C)nc(N3C[C@H](O)[C@@H](N4CCCCC4)C3)nc2c1 67855459 PNMBSHKEJKIFAP-ROUUACIJSA-N 342.443 1.982 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3cnc4onc(C)c4c3)CC2)on1 43123070 AYOURYNWPHOOBG-UHFFFAOYSA-N 341.371 1.786 0 40 EDAB O=C(CNc1ccc(-n2cc(CO)nn2)cc1)Nc1ccccc1F 97373129 ACBHLVXQJPRXAJ-UHFFFAOYSA-N 341.346 1.949 0 40 EDAB O=C(COC(=O)c1ccnc(Cl)c1)NCc1ccc2c(c1)OCO2 27442749 DIZPEUXBYGIARP-UHFFFAOYSA-N 348.742 1.937 0 40 EDAB O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CC(=O)N(C2CCCC2)C1 7737943 SFPZMJDLHZHCFZ-LBPRGKRZSA-N 340.387 1.392 0 40 EDAB CN(Cc1cc(=O)n2ccccc2n1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 81097902 RURVARQTFMZZHT-GJZGRUSLSA-N 349.456 1.482 0 40 EDAB C[C@@H](NC(=O)Cn1cccn1)c1cc(F)ccc1N1CCN(C)CC1 71853317 WPYMCNIHZBGNGU-CQSZACIVSA-N 345.422 1.651 0 40 EDAB COc1ccc(CC(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)cc1 71885845 RTMOSMTZSHFTKP-SFHVURJKSA-N 345.487 1.866 0 40 EDAB CC(C)COC[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccco1 71803961 HLZQTJANZHDNQR-ZDUSSCGKSA-N 344.433 1.433 0 40 EDAB Cn1c([C@@H]2CCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 71839176 QBWLLBYQZVYLFX-DOMZBBRYSA-N 347.440 1.672 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CC(=O)Nc3cccnc3)CC2)n1 69385252 NQEHDFCCABWNHM-GFCCVEGCSA-N 330.392 1.090 0 40 EDAB COCc1cccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 69491090 UKLHJAGSILMCQF-KRWDZBQOSA-N 347.459 1.506 0 40 EDAB CCc1n[nH]c([C@H]2CN([C@@H](C)C(=O)Nc3cc(C)on3)CCO2)n1 83830066 OQRKANGLGLKCFW-WDEREUQCSA-N 334.380 1.064 0 40 EDAB CCNC(=O)NC(=O)CN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C 71907441 FVDFOUIOGORKTQ-MRXNPFEDSA-N 344.456 1.361 0 40 EDAB c1ncn(C[C@H]2CCCN2CCCOc2ccc3c(c2)OCO3)n1 69598320 BELPMRSOGRQISX-CQSZACIVSA-N 330.388 1.940 0 40 EDAB COc1ccnc(N[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 69600297 HUCKLSUHGQHMEL-GFCCVEGCSA-N 330.392 1.822 0 40 EDAB CCOCCN1CCN([C@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 69655595 OSPFMRYOPSJDER-CYBMUJFWSA-N 340.493 1.741 0 40 EDAB CCOCCCC(=O)N1CCN(C(=O)c2ccccc2OC)CC1 69655059 HSHQCKNPICHYEN-UHFFFAOYSA-N 334.416 1.796 0 40 EDAB C[C@@H]1CN(C(=O)NCCNC(=O)CC2CCCCC2)C[C@@H](C)O1 69655640 RNSNONVCLOBFJR-ZIAGYGMSSA-N 325.453 1.892 0 40 EDAB Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)CO)cc2)c1 69709641 RFCJMJXEZUQKRL-ZDUSSCGKSA-N 348.424 1.906 0 40 EDAB CCOc1ncccc1NC(=O)c1cc(S(N)(=O)=O)ccc1C 69774934 XPXPORVIFNWTJM-UHFFFAOYSA-N 335.385 1.688 0 40 EDAB CC(C)n1ccnc1CN1CCCN(C(=O)[C@H](C)n2cncn2)CC1 69815361 FYTHHNBVHMYPSQ-HNNXBMFYSA-N 345.451 1.351 0 40 EDAB COC(=O)c1ccc(CS(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1 69874202 UXAFBXAMRMACKE-OAHLLOKOSA-N 340.445 1.329 0 40 EDAB COc1ccc([C@H](CO)NC(=O)c2nc3ccccc3c(=O)[nH]2)cc1 95350178 BIVXMFAZKGNCGG-HNNXBMFYSA-N 339.351 1.395 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1 95399008 GTQWMQOAJJYZGU-KRWDZBQOSA-N 349.431 1.436 0 40 EDAB COC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc2c1CCC2 19368239 FTYXZTFQDPRFRM-UHFFFAOYSA-N 337.445 1.209 0 40 EDAB Cn1c(=O)c2cc(NC(=O)c3cccn3C3CC3)cnc2n(C)c1=O 97047724 SHHWQRAZLXLEJQ-UHFFFAOYSA-N 339.355 1.021 0 40 EDAB O=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)[C@@H]1COc2ccccc2C1 72275320 JDVZVQDJRRNDBR-NSHDSACASA-N 337.335 1.406 0 40 EDAB CCCCCS(=O)(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 97115555 YXPJGZMTOMRUGQ-HIFRSBDPSA-N 328.478 1.982 0 40 EDAB Cc1cc(C)c(CNC(=O)NC[C@H](O)c2ccccc2F)c(=O)[nH]1 75111331 VHKSENZUWDYRJW-HNNXBMFYSA-N 333.363 1.664 0 40 EDAB Cn1ncc2c(=O)[nH]c(N[C@H]3CCCN(c4ccccc4)C3=O)nc21 75138750 QPJHRPVWKVJVSJ-ZDUSSCGKSA-N 338.371 1.264 0 40 EDAB c1cc(CCN2CCN(Cc3nnc4n3CCCCC4)CC2)ccn1 89884939 WSGPAGVEUNGASK-UHFFFAOYSA-N 340.475 1.760 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1nc(-c2cccnc2)no1 75572878 CAPMFVKLIAWGOX-JTQLQIEISA-N 340.387 1.902 0 40 EDAB CN(Cc1ccc(F)c(F)c1)Cc1nc(CS(C)(=O)=O)no1 75624021 HOMJFMOWMRWHPM-UHFFFAOYSA-N 331.344 1.524 0 40 EDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCc2cccnc2)cc1 408602184 IFSFLCNGFQHXPG-GFCCVEGCSA-N 349.412 1.073 0 40 EDAB Cc1noc([C@@H](NC(=O)NC[C@@H]2CCCCO2)C2CCOCC2)n1 548017582 WFZUCIBSTYWSJM-KBPBESRZSA-N 338.408 1.714 0 40 EDAB Cc1cc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)n(C)n1 79358749 FYDNYSZRNBSXAU-ZDUSSCGKSA-N 331.376 1.634 0 40 EDAB O=C(NCc1ccco1)C(=O)Nc1ccccc1C(=O)NC1CC1 408708502 JCPMKUWURCKODS-UHFFFAOYSA-N 327.340 1.427 0 40 EDAB Cc1ccccc1CS(=O)(=O)NC[C@@H](C(=O)O)C1CCOCC1 516862494 FDRRMOCQIZIUSG-OAHLLOKOSA-N 341.429 1.542 0 40 EDAB CO[C@]1(C)[C@H](O)C(=O)C(C)=C2OC(=O)c3c(C)cc(O)c(C)c3O[C@@H]21 3961394 KMXWTZIYEQGIFH-SOLBZPMBSA-N 348.351 1.550 0 40 EDAB biogenic CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccncc3)ccc21 74825354 NMQBKWFFTZYOAQ-UHFFFAOYSA-N 345.424 1.859 0 40 EDAB CS(=O)(=O)Nc1ccccc1C(=O)NCCOc1ccccc1 32369510 GOPNSBDDYZXZEO-UHFFFAOYSA-N 334.397 1.867 0 40 EDAB CN1CCn2c(nnc2[C@H]2CCCN2C(=O)COc2ccccc2)C1 72373909 LVERKFVVUOGHJI-OAHLLOKOSA-N 341.415 1.466 0 40 EDAB Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(-n2cnnc2)c1 70461911 POSMSYPWYALXSO-UHFFFAOYSA-N 338.371 1.405 0 40 EDAB CC(C)OCCN1CCN(C(=O)c2cc(-n3cccn3)ccn2)CC1 74390173 ITFGXIDBFGBWSB-UHFFFAOYSA-N 343.431 1.450 0 40 EDAB CCOC(=O)[C@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218035322 YEFFQWQYNFHLAX-RYRKJORJSA-N 345.420 1.887 0 40 EDAB NC[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218574618 AMPDDUOBEOSGMI-JYJNAYRXSA-N 336.844 1.936 0 40 EDAB C[C@@H](COc1ccccc1)OC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 78442344 WCSMUERNTIUGOY-UONOGXRCSA-N 341.429 1.669 0 40 EDAB O=C1COc2nc3cc4c(cc3cc2CN1C[C@H]1CCCO1)OCO4 72341564 SIVQFSUTMVWKCM-CYBMUJFWSA-N 342.351 1.864 0 40 EDAB O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)OC1CCCC1 78984648 STFZHIOJRDAJFI-KRWDZBQOSA-N 342.395 1.948 0 40 EDAB COc1cc(C(=O)Nc2cnc(N(C)C)nc2)cc(OC)c1OC 224244995 XZJLJHXZNKITIT-UHFFFAOYSA-N 332.360 1.821 0 40 EDAB O=C(Nc1ccc2c(c1)CCO2)N1CCN(c2ncccn2)CC1 82340179 PSKNHMLNAWFMJV-UHFFFAOYSA-N 325.372 1.766 0 40 EDAB Cc1[nH]nc(-c2ccc(S(=O)(=O)NCCCN(C)C)s2)c1C 40286243 BZNWPUZRDFUIEY-UHFFFAOYSA-N 342.490 1.985 0 40 EDAB Cc1cnccc1OC1CCN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC1 570896415 KOIWNBPXEODKHO-JCQPUDPBSA-N 337.445 1.464 0 40 EDAB CCOCCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224379646 GLJNRKOJLYJRDH-UHFFFAOYSA-N 340.445 1.773 0 40 EDAB CS(=O)(=O)N(CC(F)(F)F)C1CCN(Cc2ccc[nH]2)CC1 190680198 CYOZCFIJMRPWQR-UHFFFAOYSA-N 339.383 1.803 0 40 EDAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)NCc3ccccc3)C2)nn1 225449427 NVTDIOBAHJSGHE-OAHLLOKOSA-N 341.415 1.906 0 40 EDAB COc1ccc(C(=O)NCCN2Cc3ccccc3OCC2=O)cn1 225770453 QIDNDNLSGNOEPO-UHFFFAOYSA-N 341.367 1.241 0 40 EDAB O=C1CO[C@]2(COCCN(Cc3ccco3)C2)CN1c1cccnc1 96051331 MGMULBWYBWJBOI-SFHVURJKSA-N 343.383 1.309 0 40 EDAB c1cc(N2CCOCC2)n2cnc([C@@H]3CN(CC4CC4)CCO3)c2c1 96155882 DISYVRAGDZBHJB-KRWDZBQOSA-N 342.443 1.954 0 40 EDAB CC(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CCCCC4)cn23)C1 96267708 JFQWSEDNQIOPIC-AWEZNQCLSA-N 341.415 1.691 0 40 EDAB CCN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(C)cc2)CC1 96181346 BXKFHGBSOQBOOU-FUHWJXTLSA-N 329.444 1.679 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)c2cc(Br)cn2C)cn1 96450407 ODJCIJKCDWFXNT-CYBMUJFWSA-N 341.209 1.159 0 40 EDAB CCc1ncc(S(=O)(=O)NC[C@@H](C(=O)O)c2ccccc2)s1 580870685 WUMRZQBPPDSPSI-LLVKDONJSA-N 340.426 1.852 0 40 EDAB O=c1ccc2c(n1Cc1cccnc1)CCN([C@@H]1CCOC1)CC2 96196714 CLFQYICBICSSLP-QGZVFWFLSA-N 325.412 1.481 0 40 EDAB CCOc1ccc([C@@H](N)c2n[nH]c(Cn3cncn3)n2)cc1OCC 95534545 UBIFZZZJMJAORN-OAHLLOKOSA-N 343.391 1.290 0 40 EDAB CCCNC(=O)CN1CCC(NC(=O)N2C[C@@H]3CC=CC[C@H]3C2)CC1 96439071 LUAQKSHWHHCCOA-HOTGVXAUSA-N 348.491 1.585 0 40 EDAB CN(C)C(=O)COC[C@@H]1C[C@H]2OCCN(Cc3nccs3)[C@@H]2C1 96055403 OKMWCZXKRUVETE-BFHYXJOUSA-N 339.461 1.227 0 40 EDAB O=C(C[C@@H]1CO[C@@H]2CN(Cc3nccs3)C[C@H]12)Nc1cnccn1 96218927 RCEASDOJLJPXKJ-JHJVBQTASA-N 345.428 1.409 0 40 EDAB CCc1cnc(N2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)nc1 96184550 NADVCFUVMZSLDL-LSDHHAIUSA-N 326.404 1.266 0 40 EDAB CCS(=O)(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1 96228242 QJIUWDOXEXOGOJ-UHFFFAOYSA-N 336.457 1.993 0 40 EDAB Cc1cc(-c2cccc(C[C@H]3CCN(S(=O)(=O)N(C)C)C3)n2)[nH]n1 257309992 UDGDOCQTKHTNGZ-CYBMUJFWSA-N 349.460 1.451 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCS[C@H]2C(F)(F)F)c1Cl 585129290 DWAGJAHHXBQOIR-ZETCQYMHSA-N 335.760 1.699 0 40 EDAB O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCOC[C@@H]1c1nn[nH]n1 585134401 QQXHROSMSCEDMP-DMDPSCGWSA-N 333.779 1.557 0 40 EDAB O=C(c1cnco1)N1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)CC1 257199947 ABJQGFHJVRUABB-IRXDYDNUSA-N 341.411 1.698 0 40 EDAB COCC(=O)N1CCCC[C@H]1c1ccnc2c(C(=O)N(C)C)cnn12 257235214 GWXHGMMJOOQAOL-ZDUSSCGKSA-N 345.403 1.131 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@H]1S(C)(=O)=O 252515291 IFRYPRVOFPOTPI-IIAWOOMASA-N 325.430 1.268 0 40 EDAB CCc1noc(C)c1C(=O)N1CC[C@@H]2OCC(=O)N(C(C)C)[C@H]2CC1 257326692 WYFGQXBLWOGSNK-GJZGRUSLSA-N 349.431 1.786 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)CCCn2ccnc2)C1 257260732 LECJILIZDFCWCB-OAHLLOKOSA-N 342.447 1.976 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@H](c2cccc(O)c2)c2c(O)n[nH]c2C[C@]1(C)O 252584869 DNCJJLVEVNKBAQ-XUWXXGDYSA-N 346.383 1.828 0 40 EDAB CC(C)c1nnc(COC2CN(C(=O)[C@@H]3CCCN3C3CC3)C2)o1 606445843 WSDHPUAVIZOEGI-AWEZNQCLSA-N 334.420 1.547 0 40 EDAB CCNc1ncc(S(=O)(=O)NCCOC)cc1C(F)(F)F 1615046443 XCAFLAOTUCPKDP-UHFFFAOYSA-N 327.328 1.457 0 40 EDAB CCN1CCN(C(=O)CCc2cccc(OC)c2)C[C@@]12CCOC2 1615589945 WVTSLCYGFPKGOV-LJQANCHMSA-N 332.444 1.951 0 40 EDAB O=C1NCC[C@@H]1C(=O)N1C[C@H]2CC[C@@]2(Nc2nc3ccccc3o2)C1 1615831907 FKRUAPSGIWOYLU-FTLABTOESA-N 340.383 1.367 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC1(c2ccccc2)CC1 26675510 TUUZORLDBFDNEM-OAHLLOKOSA-N 336.457 1.649 0 40 EDAB O=C1CN(C(=O)c2ccn(-c3ccccc3)n2)CN1CC(F)(F)F 390834177 TZNKXLGACMYQFO-UHFFFAOYSA-N 338.289 1.677 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(S(C)(=O)=O)c1 69588164 SIKNHNQAMAZVNF-CVEARBPZSA-N 336.457 1.789 0 40 EDAB CCCS(=O)(=O)N1CCC(NC(=O)c2cc3ccccn3c2)CC1 74218748 OHVANFPRXBZEIC-UHFFFAOYSA-N 349.456 1.873 0 40 EDAB Cc1ccc(C(=O)C2CCN(C(=O)NCc3nncn3C)CC2)cc1 56874279 LUTIHDBJRMEKRN-UHFFFAOYSA-N 341.415 1.928 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NC[C@@](C)(O)C3CC3)CC2=O)cc1C 62021698 QXARBESLJTVIPB-IFXJQAMLSA-N 330.428 1.934 0 40 EDAB Cn1cnc(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)n1 92377547 XBVNUZWTWVZHEW-LSDHHAIUSA-N 329.404 1.613 0 40 EDAB O=S(=O)(NC1CCCC1)C1CN(c2ccc3nccnc3n2)C1 96005032 AJZMTWDFMDTVME-UHFFFAOYSA-N 333.417 1.075 0 40 EDAB NC(=O)C1(NC(=O)CCc2cc(F)ccc2Br)CC1 97085779 TXBFPWWEPNRVOF-UHFFFAOYSA-N 329.169 1.655 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC(Cn2cncn2)C1 828390837 HONVNUTVFGTYNW-UHFFFAOYSA-N 332.429 1.478 0 40 EDAB O[C@H]1[C@H](NC2CCC2)[C@H]2CO[C@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1 1534640247 ZTFMVJVWKZTIOS-IEWDOMPSSA-N 341.411 1.718 0 40 EDAB CCC(CC)c1nnc(NC(=O)N2C[C@@H](CO)C[C@@H]2CO)s1 1615587438 LWHNKNZAOXGUTL-GXSJLCMTSA-N 328.438 1.649 0 40 EDAB COC(=O)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)N(C)C1=S 8091448 XQQJFLFNUMAVSX-XFFZJAGNSA-N 335.341 1.168 0 40 EDAB O=C(CCN1C(=O)CCCC1=O)OC[C@H]1CCCN2CCCC[C@@H]12 5382565 AUPZDFOUVOMPGK-CABCVRRESA-N 336.432 1.723 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C 12695119 MRGVPWCOGWPPDF-JQWIXIFHSA-N 325.434 1.143 0 40 EDAB COCC(=O)N1C[C@H](c2ccc(OC)cc2)[C@@H]2[C@H]1CCCN2C(C)=O 19017706 HTAFDZMROIOCAD-ZHALLVOQSA-N 346.427 1.647 0 40 EDAB COc1ccc(Cc2cc(=O)[nH]c(NCCc3cnccn3)n2)cc1 19555930 JVHJFZCQESAJEN-UHFFFAOYSA-N 337.383 1.814 0 40 EDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cc2ccccc2nc1N(C)C 19575880 JMOWJHAYVDYJRN-BMGDILEWSA-N 340.471 1.940 0 40 EDAB CN1CCc2nc(C3CCN(C(=O)c4ccccn4)CC3)ncc2C1 19590700 DZFOFFBMBIIVKZ-UHFFFAOYSA-N 337.427 1.879 0 40 EDAB CCc1cnc(OC2CCN(C3CCN(C(C)=O)CC3)CC2)nc1 1888834037 RYVIHQMPQYOBIN-UHFFFAOYSA-N 332.448 1.893 0 40 EDAB COc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccn4)C[C@H]3C2)n1 1888844365 WPGBNEIWYIGMAA-STQMWFEESA-N 325.372 1.089 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)nn1C 1888853254 GYBZTARHFHTPDD-CYBMUJFWSA-N 341.415 1.937 0 40 EDAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)c2ccnn2C)C3)nc1 1888869450 ROVDVIYCNDNURF-KSSFIOAISA-N 341.415 1.840 0 40 EDAB Cc1ncncc1C(=O)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037908925 GVXWUTMRMYVPEJ-GOSISDBHSA-N 345.374 1.970 0 40 EDAB CC(C)N1C[C@H]2CN(C(=O)c3cccc(F)c3)CC[C@@H]2OCC1=O 2037984785 NVKKRQMSTVOWNL-ZBFHGGJFSA-N 334.391 1.924 0 40 EDAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)CN(C)C(C)C)CC2)C1 1565544094 CYXRWLZMTFIGQF-HNNXBMFYSA-N 339.480 1.249 0 40 EDAB O=C(Cn1cnc2ccccc21)N1CCC[C@H](Oc2cnccn2)C1 225467868 NOXZHRWIVSKNHN-AWEZNQCLSA-N 337.383 1.896 0 40 EDAB COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1cccnc1 225711798 XYAZMGZFSFLHND-KRWDZBQOSA-N 348.424 1.593 0 40 EDAB O=C(CCN1CCC(O)CC1)N1CCN(c2ccc(F)cc2)CC1 26903122 LDZWDXUAWWTIGM-UHFFFAOYSA-N 335.423 1.321 0 40 EDAB CC[C@H]1[C@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O 100069275 CJDRUOGAGYHKKD-TVIQOZPVSA-N 326.440 1.555 0 40 EDAB O=C(Cn1cccc1)NC1CCN(c2ncnc3c2CCCC3)CC1 225736246 WYQWIYLXYWWVFE-UHFFFAOYSA-N 339.443 1.942 0 40 EDAB CC(C)CCN1CC(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]21 56998149 BFETVQZEVLGABO-HOTGVXAUSA-N 336.457 1.547 0 40 EDAB CN(Cc1ccsc1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 40052128 WDLOPKLEZSPXGM-OAHLLOKOSA-N 342.424 1.827 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(-n3cccn3)c2)C1 40086247 MTOQRRMXIYCVIN-CYBMUJFWSA-N 335.433 1.334 0 40 EDAB CN(C)c1cc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)ccn1 40512545 GGKZCTMAGBMRRY-LLVKDONJSA-N 344.337 1.175 0 40 EDAB CCCNC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 51443403 GALKICPHASRZIT-HNNXBMFYSA-N 331.416 1.181 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(C[C@@H](O)c3c(F)cccc3F)C2=O)cn1 101379837 XFVNWJGVBHQYDM-SMDDNHRTSA-N 349.337 1.350 0 40 EDAB CCCOc1cccc(NC(=O)NCCCNS(=O)(=O)CC)c1 51612238 AFIJUMNOEVFXDD-UHFFFAOYSA-N 343.449 1.926 0 40 EDAB C[C@@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@]41Br)C21OCCO1 102475431 QKDMEDBNNOGXJP-ONJPOZBNSA-N 341.201 1.378 0 40 EDAB Cc1ccccc1CN1CCCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1 41314947 FISLVCTZBWQQFU-KRWDZBQOSA-N 343.471 1.898 0 40 EDAB O=C(CCc1nc(-c2cccnc2)no1)N1CCO[C@H]2CCC[C@H]21 53384751 KFBRMDRKAIRZTR-KGLIPLIRSA-N 328.372 1.844 0 40 EDAB CC(=O)N1CCCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 53457390 IVBQCUZQQZGHIO-UHFFFAOYSA-N 343.880 1.914 0 40 EDAB CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1cccc(Cl)c1 886641 PIFKDJPHQHFVKJ-ZDUSSCGKSA-N 346.836 1.401 0 40 EDAB COCCCS(=O)(=O)NCCN(C)CCCOc1ccccc1 72310597 NRMMJCBERJORPC-UHFFFAOYSA-N 344.477 1.343 0 40 EDAB Cc1ccc(NC(=O)N2CCN(C(=O)/C=C/CN(C)C)CC2)cc1 74033096 MUBNXHXIEGLZJD-SNAWJCMRSA-N 330.432 1.789 0 40 EDAB COC(=O)c1ccc(NC(=O)Cn2nnc(-c3cccnc3)n2)cc1 417026 GSUBTHMYJKPOBG-UHFFFAOYSA-N 338.327 1.160 0 40 EDAB Cc1ccc([C@@H](NC(=O)CN(C)CC(N)=O)c2cccs2)cc1 47628728 HFOYJFQLTDNIBW-QGZVFWFLSA-N 331.441 1.679 0 40 EDAB CCC(CC)NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 9157765 JDGKMODVPAMKOC-NSHDSACASA-N 339.461 1.390 0 40 EDAB CN([C@H](C(N)=O)c1cccc(F)c1)S(=O)(=O)C[C@@H]1CCCCO1 78467783 NOSPWOAIUZPAMA-KBPBESRZSA-N 344.408 1.183 0 40 EDAB NC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)nc1 54687408 RANQTWHTWCQYIT-UHFFFAOYSA-N 326.356 1.269 0 40 EDAB C[C@H](SCc1ccccc1F)C(=O)N[C@H]1CCS(=O)(=O)C1 24519345 AQTREVZVXQYELU-JQWIXIFHSA-N 331.434 1.751 0 40 EDAB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@H]21 4883976 NLZNOCHSXSJILW-MRHIQRDNSA-N 334.372 1.257 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 24803948 UJSNPZYBAYWQLK-JTQLQIEISA-N 343.355 1.698 0 40 EDAB COC(=O)COc1ccc(Br)cc1CN1CCOCC1 24980440 AHUIBBIPUCEXRI-UHFFFAOYSA-N 344.205 1.833 0 40 EDAB CCOC(=O)C1CCN(C(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)CC1 6669436 MQYZVOOLWRLLRW-MSOLQXFVSA-N 337.416 1.910 0 40 EDAB CN([C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H](C(N)=O)c1cccc(F)c1 106849277 GYKZPRCDCBVLPE-VXGBXAGGSA-N 347.312 1.447 0 40 EDAB Cc1cccc(N2CCN(CC(=O)NCc3ccco3)[C@@H](C)C2)n1 106853866 DYBWNCGCXIUGBR-HNNXBMFYSA-N 328.416 1.810 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)/C=C/c2ccc(Br)s2)CCO1 43702324 QKQOWLKBFRXGND-LXOKAJLYSA-N 346.202 1.836 0 40 EDAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 44718580 SPJMSUDDCQIBMW-VXGBXAGGSA-N 345.848 1.967 0 40 EDAB Cc1cc(C)cc(N2C(=O)C[C@@H](N3CCC(C(=O)O)CC3)C2=O)c1 9926969 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343.383 1.967 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc2[nH]c(=O)[nH]c2c1 12803330 YIELJVUJHYONBO-UHFFFAOYSA-N 335.323 1.205 0 40 EDAB NS(=O)(=O)CCCNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 95394150 PAHUCOMWAUNJTL-CVEARBPZSA-N 332.425 1.738 0 40 EDAB COCCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 113968470 KTCZBDJHYQIMQI-UHFFFAOYSA-N 344.433 1.004 0 40 EDAB Cc1cccc(C(=O)N2CCCN(C(=O)NC[C@@H]3CCOC3)CC2)c1 95351571 BYSKUBRBCARYCX-INIZCTEOSA-N 345.443 1.889 0 40 EDAB CCSc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1 3592226 NKKZVFIZBSWQEX-UHFFFAOYSA-N 347.425 1.999 0 40 EDAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCc1ccccc1 3592911 TZLYQBVPKYLTKG-UHFFFAOYSA-N 343.427 1.990 0 40 EDAB C[C@H](Cc1ccccc1Br)NC(=O)c1c[nH]c(=O)cn1 84640767 QFVXQBCGVIICHE-SECBINFHSA-N 336.189 1.893 0 40 EDAB CCN1CCC[C@H]1CNC(=O)Cn1nc(-c2ccccc2)ccc1=O 48678700 OWGKDEBGNSOOHO-INIZCTEOSA-N 340.427 1.511 0 40 EDAB Cc1ccc(C(=O)OCC(=O)NC(=O)Cc2ccccc2)cc1O 9390255 TUBDLDUDIIOGBU-UHFFFAOYSA-N 327.336 1.743 0 40 EDAB O=C(CCN1Cc2ccccc2C1=O)NCCc1nnc2ccccn12 95476544 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CCCn1c(N)c(C(=O)CN(CC)Cc2ccccc2)c(=O)[nH]c1=O 7437536 XGHZQYNUHSVONI-UHFFFAOYSA-N 344.415 1.234 0 40 EDAB CNS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCc3[nH]ncc3C2)cc1 90454837 OGYJJPGUUPUAOG-RISCZKNCSA-N 334.445 1.526 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1NC(C)=O 7667626 KVJPUVUHPNCLCR-QWRGUYRKSA-N 342.417 1.452 0 40 EDAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCN1CCN(C)CC1 68467469 QCUWIQPBPDYVCG-LBPRGKRZSA-N 327.375 1.096 0 40 EDAB O=C(CNC[C@H]1CCCN1c1cccnn1)NCc1ccccc1F 71859869 QZDQOOCMZQKXAI-OAHLLOKOSA-N 343.406 1.491 0 40 EDAB COC(=O)c1ccoc1CN1CCC[C@@H]1C(=O)NCc1ccco1 69419777 OGUQOKZGWNCSLM-CQSZACIVSA-N 332.356 1.940 0 40 EDAB CC(=O)NCC(=O)NCC(=O)Nc1ccc(-c2nc(C)cs2)cc1 69455011 WQGMXEXWWOZBIM-UHFFFAOYSA-N 346.412 1.309 0 40 EDAB CC(C)N(C)S(=O)(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 71909491 LAUFKHCOQYIKHM-CQSZACIVSA-N 329.441 1.969 0 40 EDAB CN(C)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 69528364 VLBGTBFWVRMTER-UHFFFAOYSA-N 346.387 1.464 0 40 EDAB O=C(NCc1cn2c(n1)CCCC2)C(=O)Nc1ccc2c(c1)CCC2 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COC(=O)CN1C(=O)N/C(=C/c2ccc(Br)o2)C1=O 408549790 ZBUHFTDDJXLBLO-QPJJXVBHSA-N 329.106 1.108 0 40 EDAB COc1ccc(-c2noc(C3CCN(S(C)(=O)=O)CC3)n2)cc1 22343797 MSZSIVWTWJPPFT-UHFFFAOYSA-N 337.401 1.884 0 40 EDAB C[C@H](Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1N)C(N)=O 26123624 HXFGAQIXGGICKZ-JTQLQIEISA-N 349.460 1.834 0 40 EDAB COCCN1CCCN(C(=O)[C@H]2COc3cc(OC)ccc3C2)CC1 79321254 ZFJGMUBKMYLFJK-MRXNPFEDSA-N 348.443 1.427 0 40 EDAB Cc1nc(CN2CCC[C@](C)(c3[nH]ncc3C(=O)N(C)C)C2)no1 72388750 PQBOCORDGXPCFF-INIZCTEOSA-N 332.408 1.357 0 40 EDAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@@]2(COC)C(=O)O)cc1 218471019 IKRLAWHJHXNVRB-FMKPAKJESA-N 326.414 1.867 0 40 EDAB CC(=O)N1CCC(C)(c2cc(C(=O)N3CCOCC3)nc(C)n2)CC1 72387198 MNENNTJZYBJVSE-UHFFFAOYSA-N 346.431 1.157 0 40 EDAB COC(=O)c1ccc(C(=O)NC[C@@]2(OCCO)CCSC2)cc1 1565520542 YQMZSABYKDERSZ-INIZCTEOSA-N 339.413 1.088 0 40 EDAB COCC(=O)N1CC[C@H](c2nc(C)cc(Nc3ncccn3)n2)C1 72382506 WSPLGKCIHOZZRA-LBPRGKRZSA-N 328.376 1.281 0 40 EDAB C[C@H](N)C(=O)N(C)C[C@H]1CCCCN1C(=O)OCc1ccccc1 79393089 ICNTTYVCJLHXQJ-GOEBONIOSA-N 333.432 1.983 0 40 EDAB CN(C)CCCNC(=O)c1ccn(COc2ccc(F)cc2F)n1 35670798 ODIQHPHYTJMCET-UHFFFAOYSA-N 338.358 1.879 0 40 EDAB COCCNc1cc(C)nc([C@@H]2CCCCN2S(C)(=O)=O)n1 72366299 SDOONXPOYCMUDE-LBPRGKRZSA-N 328.438 1.330 0 40 EDAB Cc1nc(NCC2CCOCC2)cc([C@@H]2CCN2S(C)(=O)=O)n1 72387106 DWEXEJJASCZFRS-AWEZNQCLSA-N 340.449 1.330 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@H](Oc2cccnn2)C1 225419977 GWZROWVPDAKHOQ-ZDUSSCGKSA-N 347.396 1.254 0 40 EDAB O=C(COc1cccc(I)c1)N1CC(CO)C1 194854738 WQYIWQIUJBSRBR-UHFFFAOYSA-N 347.152 1.121 0 40 EDAB NC(=O)C[C@H]1CCCN(S(=O)(=O)c2cnc3ccsc3c2)C1 83997567 FILCDNFUQSAYIC-SNVBAGLBSA-N 339.442 1.572 0 40 EDAB CS(=O)(=O)CCn1cnc2ccc(Br)cc2c1=O 49002006 BIDMUYPKXSTWHB-UHFFFAOYSA-N 331.191 1.204 0 40 EDAB CN1CCN(CCCNC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 89223614 KAMNGPZTVSRJSW-INIZCTEOSA-N 340.512 1.471 0 40 EDAB CCOC(=O)/C(=C\N(C)C)c1nnn(Cc2ccc(OC)cc2)n1 199983135 AXZWOACHSQCIOG-KAMYIIQDSA-N 331.376 1.196 0 40 EDAB Cc1ccn(C)c1C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 190773525 ZJAWSCGTTZXDEJ-UHFFFAOYSA-N 333.432 1.435 0 40 EDAB CC(=O)N1CCN(C(=O)COc2nn(-c3ccccc3)cc2C)CC1 226852533 IPAQOGSKMWOVRW-UHFFFAOYSA-N 342.399 1.250 0 40 EDAB C=Cn1cc(CNc2ccc(NC(=O)CN3CCOCC3)cc2)cn1 194122001 QXMLYJJTCIIKNK-UHFFFAOYSA-N 341.415 1.866 0 40 EDAB O=C(NCc1ccc(OCC(F)(F)F)nc1)N[C@H]1CC[C@@H](CO)C1 581866870 GTNHNACPPIRUEY-PWSUYJOCSA-N 347.337 1.983 0 40 EDAB O=C(c1cnccn1)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 96183549 YHWRFRZOVKPKFW-GOEBONIOSA-N 342.374 1.593 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(=O)N1CCCC1)C2 96227069 JFEISZMGWMSXHX-QAPCUYQASA-N 328.416 1.626 0 40 EDAB O=C(C1CC1)N1CCC2(CCOC[C@H]2COc2cnccn2)CC1 96206718 XAWFTYOOKHNSJI-HNNXBMFYSA-N 331.416 1.911 0 40 EDAB COCCN1CC2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1=O 96202836 ZWKGHAVQGCOIEZ-UHFFFAOYSA-N 332.400 1.486 0 40 EDAB O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3ccncc3)C[C@@H]2C1 96080842 YWYLUHSPXKLPHH-IAGOWNOFSA-N 343.452 1.834 0 40 EDAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(C(=O)c1ccoc1)CC2 96199853 KHJPBVMEDWFGFK-HNNXBMFYSA-N 342.399 1.634 0 40 EDAB Cn1ccnc1CN1CC[C@H]2[C@@H]1CCC(=O)N2Cc1ccncc1 96186392 DVXVIDHIIWNTIR-HOTGVXAUSA-N 325.416 1.581 0 40 EDAB O=C(c1ccccn1)N1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1 96208536 UCSRQUJVFITQCA-RDTXWAMCSA-N 339.399 1.747 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCCCn2ccnc2)[C@@H]1c1cccs1 96181172 ZQEANEUPWAYVFL-IUODEOHRSA-N 332.429 1.671 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(C(=O)C3CC=CC3)Cc3nccn3C2)n1 96188714 RALPSVNTOMABLA-OAHLLOKOSA-N 340.431 1.716 0 40 EDAB Cc1cn2nc(N[C@@H]3CCN(C(=O)Cc4cccs4)C3)ccc2n1 581024455 ONASRPPUOJEVPJ-CYBMUJFWSA-N 341.440 2.355 0 40 EDAB NC(=O)[C@]1(O)CCCN(C(=O)C2(c3ccc(F)cc3F)CCC2)C1 581326078 FQBVXIIXNTVDBW-KRWDZBQOSA-N 338.354 1.225 0 40 EDAB CO[C@H]1CCN(C(=O)c2cccc(C)n2)[C@@H]2CN(CC3CC3)C[C@H]12 96109441 CLGDVSKYFLBAPF-JQHSSLGASA-N 329.444 1.961 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)CC1CC1)C2 96237694 XCFAGHHQVYMFNC-KRWDZBQOSA-N 333.457 1.798 0 40 EDAB COCCNC(=O)c1cn2c(n1)[C@H](C)N(Cc1cc(C)on1)CC2 247943831 VPNXUITUPYHADC-LBPRGKRZSA-N 333.392 1.133 0 40 EDAB COc1cnc(N2CCC[C@H](CO)C2)c(I)c1 585092955 VSQPZMIKAGIYES-VIFPVBQESA-N 348.184 1.904 0 40 EDAB COC[C@]1(C(N)=S)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 252515248 IACDCIOXDGHDNU-LOWVWBTDSA-N 333.862 1.769 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCO[C@H](CCc2ccncn2)C1 257259503 KYQUGLMHHYRAJB-CQSZACIVSA-N 337.383 1.827 0 40 EDAB Cc1cnc(C2CCN(CCC(=O)N3CCN(C)CC3)CC2)s1 252502665 USQYNXWPMXRUSD-UHFFFAOYSA-N 336.505 1.795 0 40 EDAB C[C@@H](CC(=O)N(CCO)CCOCCO)Cc1cccc(F)c1 585123847 GECWAJLSPRONOC-CQSZACIVSA-N 327.396 1.224 0 40 EDAB CCn1cc(C(=O)N2CCC[C@@H]2c2cccc(CNC(C)=O)n2)cn1 257245624 IQJDWGJFYYLSBR-QGZVFWFLSA-N 341.415 1.911 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3nccn3C)CCO2)n1 257206635 BEHIZKCGEWHPSX-OAHLLOKOSA-N 329.404 1.403 0 40 EDAB CCc1cc(C(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3CCOC)C2)on1 257276268 NTAYLMUWVYHECH-DZGCQCFKSA-N 349.431 1.727 0 40 EDAB CC(C)CC(=O)N1CCC(Nc2ccnc(N3CCOCC3)n2)CC1 543708791 ZBBWVDARNQROAJ-UHFFFAOYSA-N 347.463 1.762 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 257306806 SVZYDMBSOUBBMK-HNNXBMFYSA-N 329.404 1.700 0 40 EDAB Cc1noc(C)c1C(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257281857 ORGRWBZRKUKLGI-KRWDZBQOSA-N 330.388 1.448 0 40 EDAB NC(=O)CN1CCC(CCc2ccnc(Nc3cnccn3)c2)CC1 257280990 ONFMKNXKNCUJQC-UHFFFAOYSA-N 340.431 1.745 0 40 EDAB CCn1cc(C(=O)N2CCO[C@](C)(C(=O)NC)C2)c2ccccc21 257328841 XHIBZCKLMLZXCH-SFHVURJKSA-N 329.400 1.638 0 40 EDAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1 257200366 ACZHLDUMBGZHMO-HNNXBMFYSA-N 340.431 1.727 0 40 EDAB Cc1nccc(CN2CCC[C@H](Cc3[nH]ncc3S(C)(=O)=O)C2)n1 257227625 FQEPTFASRCMINX-CYBMUJFWSA-N 349.460 1.366 0 40 EDAB CC(=O)N[C@@H]1CCN(C(=O)c2c(-c3cccnc3)noc2[C@H](C)O)C1 253408534 YBEHNLBRRHHIAF-GXFFZTMASA-N 344.371 1.141 0 40 EDAB biogenic,in-vitro O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CC(n2ccnc2)C1 603917016 YRPITFLQVGRLRM-QGZVFWFLSA-N 338.411 1.500 0 40 EDAB Cn1nnc2c1C[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1N1CCCC1)CC2 1615001579 WPDXMXGLOYCMKR-VYDXJSESSA-N 345.491 1.691 0 40 EDAB O=C(N[C@]12CCC[C@H]1NCC2)c1cccn(CC(F)(F)F)c1=O 1615544893 DRRNIMOJZOQNGL-RISCZKNCSA-N 329.322 1.425 0 40 EDAB CNc1cccc(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)n1 585276661 OQMZPEAZEHVRDO-SFHVURJKSA-N 327.384 1.779 0 40 EDAB COc1cc(F)ccc1CC(=O)N1Cc2ccnn2CC[C@@H]1CO 585097446 LRWQVHDJTGBCDG-OAHLLOKOSA-N 333.363 1.367 0 40 EDAB Cc1cnn(CC(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)c1 585279371 YJLWAQCHFRRSPC-GOSISDBHSA-N 329.400 1.024 0 40 EDAB COc1ncccc1C(=O)N1CC(F)(F)C[C@]2(CCN(C)C2=O)C1 585093284 NFINQGBRHCSALN-OAHLLOKOSA-N 339.342 1.420 0 40 EDAB C[C@H](CNC(=O)c1cc(Cl)c2c(c1)OCO2)N1CCN(C)CC1 71867488 OZDVGVZOJHNQQY-LLVKDONJSA-N 339.823 1.434 0 40 EDAB CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)S(C)(=O)=O)c1 32926735 IUCQITHMWJUEKN-LLVKDONJSA-N 326.418 1.540 0 40 EDAB O=C([C@H]1CCCCO1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1776007855 HVITVOWZXSTVBP-QGZVFWFLSA-N 339.395 1.863 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)[C@@H]1OC 95942911 HNQANRQCLUDTLZ-XQHKEYJVSA-N 338.370 1.569 0 40 EDAB OCc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)o1 15674203 CISALCIMKBPEHN-ABAIWWIYSA-N 342.355 1.525 0 40 EDAB biogenic,in-vitro COC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 16267416 IVZBVOGNEHKPFD-CQSZACIVSA-N 342.461 1.383 0 40 EDAB Cc1nonc1CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C 19559106 LMFFNOUYANZBQO-APPDUMDISA-N 348.403 1.148 0 40 EDAB CC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)c(C)c1 19929570 IVFAZTQUSUNIJS-ZDUSSCGKSA-N 342.461 1.929 0 40 EDAB CCc1cccc2c1N(C(=O)c1cc(S(N)(=O)=O)cn1C)CC2 550663670 UWUVTAKMVMVIIC-UHFFFAOYSA-N 333.413 1.438 0 40 EDAB NC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1ccc2nc(O)oc2c1 593949843 VZPVBIZKKWUQNV-HNNXBMFYSA-N 337.335 1.758 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 3330372 INJHUNQUROGQAD-SFHVURJKSA-N 329.400 1.334 0 40 EDAB CC(C)[C@H](NC(N)=O)C(=O)NCCc1ccc(-n2cccn2)cc1 10222286 NOFKXQDCZHBACJ-HNNXBMFYSA-N 329.404 1.224 0 40 EDAB Cc1cc(N2CCO[C@H](C(=O)N3CCCCC3)C2)n2nc(C)cc2n1 1888854065 JEEUCKORFQDKTH-HNNXBMFYSA-N 343.431 1.564 0 40 EDAB Cc1ncnc(N2CCN(c3cc(=O)n4ccccc4n3)CC2)c1F 1888866862 KSVWYSDUHMUCCA-UHFFFAOYSA-N 340.362 1.259 0 40 EDAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(Cc3ccc(F)cn3)[C@@H]2CN1 2037981088 UGDRSBWJWSJDAM-ZHALLVOQSA-N 341.386 1.704 0 40 EDAB O=C(CC1CCOCC1)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223661 YVSHQEYVDKJEND-ROUUACIJSA-N 336.476 1.905 0 40 EDAB COCCN1CCC2(C1)CN(C(=O)c1c(C)nc3ccccn13)C2 1565551311 LNEDKQHQJHVREF-UHFFFAOYSA-N 328.416 1.437 0 40 EDAB CC(=O)C(Sc1ccc2nnc(-c3cccnc3)n2n1)C(C)=O 4248406 ZYYCPZAAYUMRJR-UHFFFAOYSA-N 327.369 1.825 0 40 EDAB COc1ccc(N2C[C@H](NC(=O)NCc3ccco3)CC2=O)cc1 4373497 HXMJASADIVTWNL-GFCCVEGCSA-N 329.356 1.893 0 40 EDAB O=C(c1ccco1)N1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772822 JBNUUIRGLCGXOP-UHFFFAOYSA-N 328.372 1.340 0 40 EDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2cn[nH]c2)CC1 2055738643 GLINKQCDCJEXMW-UHFFFAOYSA-N 331.395 1.742 0 40 EDAB Cc1cc(=O)n(CC(=O)Nc2ccccc2C)c(N2CCOCC2)n1 49411057 WXWCUJKPSBQKTP-UHFFFAOYSA-N 342.399 1.335 0 40 EDAB O=C(CN1CC(c2nc(-c3ncccn3)no2)C1)Nc1ccccc1 49483090 VHEWERRNFNMYKL-UHFFFAOYSA-N 336.355 1.565 0 40 EDAB Cn1nccc1-c1cncc(CNC(=O)Cn2nnc3ccccc32)c1 575617664 ZFEXEKQKTFTBTL-UHFFFAOYSA-N 347.382 1.543 0 40 EDAB C[C@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)C12CC3CC(CC(C3)C1)C2 12401775 LKQVKTBGAILYDY-NZWMYCLXSA-N 345.443 1.419 0 40 EDAB CCc1n[nH]c(NC(=O)/C=C(/Nc2nc(CC)n[nH]2)C(F)(F)F)n1 101589535 HLEBEGVJNOJUTC-AATRIKPKSA-N 344.301 1.544 0 40 EDAB CC(C)CNC(=O)CNC(=O)Nc1cccc(N2CCOCC2)c1 50058165 PQRMPGPYBKLJJK-UHFFFAOYSA-N 334.420 1.417 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 40120127 ATMYBRXGRZDGOF-MRXNPFEDSA-N 342.443 1.766 0 40 EDAB COCCN(CCOC)C(=O)Cc1csc(-c2cccnc2)n1 31865034 PUNGKJWRGBXOMN-UHFFFAOYSA-N 335.429 1.869 0 40 EDAB COc1ccc(Cl)cc1CNC(=O)N[C@H]1CCS(=O)(=O)C1 40539922 DQFUSBLENAGNGO-NSHDSACASA-N 332.809 1.335 0 40 EDAB COc1ccc2cc(C(=O)NCCN3C(=O)CSC3=O)[nH]c2c1 40554816 VORGBROCMQOXJM-UHFFFAOYSA-N 333.369 1.602 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(C)nc2)cc(C)c1C 40539885 JEUVXOSVZGMQPP-UHFFFAOYSA-N 347.440 1.845 0 40 EDAB O=C(NCCc1cccnc1)C1=NN(Cc2ccccc2)C(=O)CC1 40540832 YSPRUAUAVOLMPZ-UHFFFAOYSA-N 336.395 1.919 0 40 EDAB COc1cccc(/C=C/C(=O)N(C)Cc2nnc3n2CCC3)c1OC 40523036 LCAOIEGCCLRWOP-MDZDMXLPSA-N 342.399 1.913 0 40 EDAB COCCn1nc(C(=O)N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(C)C)ccc1=O 101047362 SPNJWTQQLNAAHU-JYJNAYRXSA-N 345.443 1.953 0 40 EDAB COc1cccc([C@H]2CC(=O)Nc3c2c(=O)[nH]c(=S)n3C)c1OC 101326261 RIDOZEAYCJSKBZ-SECBINFHSA-N 347.396 1.934 0 40 EDAB C[C@H](C(=O)O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 51658910 UYSXZNPPJNFSLK-SNVBAGLBSA-N 332.809 1.119 0 40 EDAB CC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 101411355 WGBKNYHYLXXHQS-APYUEPQZSA-N 341.363 1.968 0 40 EDAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)c1 21203882 ZXYRSDQIGKVPHT-AWEZNQCLSA-N 329.356 1.764 0 40 EDAB COC(=O)c1cn(CN2CCN(c3cccc(Cl)c3)CC2)nn1 32815014 BRJATPSMZIJAAA-UHFFFAOYSA-N 335.795 1.498 0 40 EDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCNC(=O)c1ccoc1 41796192 WVBLRJYFWVMQSG-QEJZJMRPSA-N 348.399 1.732 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CC[C@@H]2CCCC[C@@H]2C1 53757956 SZZAOBQRYQGTNJ-UONOGXRCSA-N 341.411 1.729 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)Cn1cccc(C(F)(F)F)c1=O 42368905 BTSOJCOHYYFINL-SNVBAGLBSA-N 328.294 1.269 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCN(Cc3ccsc3)CC2)c(=O)[nH]1 42349109 BLDFAMRYFKKVPL-UHFFFAOYSA-N 346.456 1.335 0 40 EDAB CC[C@H](C)OC(=O)Cn1cnc2sc(C(=O)OC)c(C)c2c1=O 150443 IISFZSXWSVBNDA-QMMMGPOBSA-N 338.385 1.895 0 40 EDAB NC(=O)c1ccsc1NC(=O)CCC(=O)NCc1ccncc1 12533167 UBKICALXJDURMB-UHFFFAOYSA-N 332.385 1.277 0 40 EDAB CS(=O)(=O)c1cccc(NCC(=O)Nc2ccc(C(N)=O)cc2)c1 12517005 INUBLGDPHQDQSI-UHFFFAOYSA-N 347.396 1.240 0 40 EDAB CC(=O)N1CCc2cc(C(=O)NCCNc3ncccn3)ccc21 48010401 XVLLJKKVIZVPIE-UHFFFAOYSA-N 325.372 1.228 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2cccs2)n[nH]1 79107263 LRCTVYSMWKZVMG-UHFFFAOYSA-N 346.393 1.878 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2C)CC1 23789354 AYKJZVCETDCJIC-UHFFFAOYSA-N 338.473 1.715 0 40 EDAB O=C(NCCC(=O)N1CCOCC1)[C@@H]1CCCO[C@H]1c1ccccc1 54654274 RBFCHXNESNTAIQ-AEFFLSMTSA-N 346.427 1.519 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)CCn3c(C)csc3=O)C2)n1 54662390 CHQDMMYTJSAIFI-GFCCVEGCSA-N 336.417 1.706 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N[C@@H]3CCCC[C@H]3C)nc2n1 3542248 BYBJJXUXVVAVIG-ZWNOBZJWSA-N 345.403 1.593 0 40 EDAB CC(C)CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6271802 VIYXIVVDFHWTKF-UHFFFAOYSA-N 340.445 1.483 0 40 EDAB Cc1cc(NC(=O)CN2CCC(C(=O)Nc3cc(C)on3)CC2)on1 25437945 XQYXQPSXTZWRAQ-UHFFFAOYSA-N 347.375 1.569 0 40 EDAB O=C(Cn1cc(NC(=O)NCCc2ccccc2)cn1)NC1CC1 56342602 BKTWLKKLZDJRLM-UHFFFAOYSA-N 327.388 1.526 0 40 EDAB CN1CCN(c2ncc(CNCc3csc(C4CC4)n3)cn2)CC1 95416671 HYLWRNNZXTZZTI-UHFFFAOYSA-N 344.488 1.852 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1 58299537 UVIPMCNBVVYJJB-RRUDCUFVSA-N 327.428 1.802 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@H](C)C2)o1 44943043 IZMWAXDLCGPPCK-LBPRGKRZSA-N 343.449 1.040 0 40 EDAB C[C@@H](c1nc(C2CC2)no1)N1CCN([C@H](C)C(=O)NC2CC2)CC1 44974332 JRQWNAPGFHQHCR-NEPJUHHUSA-N 333.436 1.293 0 40 EDAB COc1ccccc1[C@H](CNC(=O)[C@H](C)n1cncn1)N1CCCC1 44910924 UEJRWYARKPALDE-HOCLYGCPSA-N 343.431 1.801 0 40 EDAB NC(=O)c1ccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)cc1 12771941 DMXVWKFPUNBYAL-UHFFFAOYSA-N 344.352 1.302 0 40 EDAB CC(C)CCO[C@@H](C)C(=O)NC1CCN(CC(=O)NC(C)C)CC1 58424668 JEFGWLUYZQBCKV-HNNXBMFYSA-N 341.496 1.543 0 40 EDAB Cc1csc(CNC(=O)CCn2c(=O)n(C)c3ccccc32)n1 58415842 CIOAYAUEGKESFD-UHFFFAOYSA-N 330.413 1.811 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCCN(c2ccccc2)CC1 48303063 PHKPOUMDOCTMSG-AWEZNQCLSA-N 341.463 1.793 0 40 EDAB CN(CC(=O)c1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc2c(c1)OCO2 48303243 MBYGBZWMIQQDLO-UHFFFAOYSA-N 339.351 1.900 0 40 EDAB COc1cccc(NC(=O)[C@H](C)Nc2cccc(OCC(N)=O)c2)c1 28355958 ZBSPAUZVXXHUCE-LBPRGKRZSA-N 343.383 1.998 0 40 EDAB C[C@]12CN(NC(=O)Cc3ccccc3)[C@]3(C(N)=O)C[C@H]1CC[C@@]23C 101023485 ACGCPENRHIWURT-FCLVOEFKSA-N 327.428 1.626 0 40 EDAB CCc1noc(CN2C(=O)N[C@@](CC)(c3ccc(OC)cc3)C2=O)n1 29142669 MPFUHXQBVYSTRV-KRWDZBQOSA-N 344.371 1.998 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C)C2)cc1 11502182 AHGOJUWBIZVNLF-OLZOCXBDSA-N 340.445 1.624 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16CCCC[C@@]56[C@H]2[C@@H]43 104280536 OZWFRSGCPORMHG-ZOHDJHSCSA-N 333.391 1.963 0 40 EDAB COc1cccc(-c2nc(C(=O)NCCNC(C)=O)cs2)c1OC 29512091 HDJAXDXFGYRKQX-UHFFFAOYSA-N 349.412 1.693 0 40 EDAB NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 10217275 NMTXYTAMIKNRMB-SNVBAGLBSA-N 338.307 1.224 0 40 EDAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(F)c(F)c1F 60472249 CAFKHMDFXCXIID-UHFFFAOYSA-N 338.351 1.593 0 40 EDAB Cc1cccc2nc(CN3C(=O)CN(c4ccccc4)C3=O)cc(=O)n12 47170956 BJSRUFIXQSIPCU-UHFFFAOYSA-N 348.362 1.972 0 40 EDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1 65403940 LZZSCHQVQHMWKV-CYBMUJFWSA-N 335.473 1.829 0 40 EDAB O=C(COc1ccc(Cl)c(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 3530936 DXKKZVJJVTZQPF-MRVPVSSYSA-N 338.212 1.676 0 40 EDAB CCCCS(=O)(=O)N1CCC(C(=O)NCCN(CC)CC)CC1 65402632 KNOMQNYPOABLGJ-UHFFFAOYSA-N 347.525 1.286 0 40 EDAB COc1ccc(OC)c(-n2c(=O)[nH]c3cc(C(=O)O)ccc3c2=O)c1 3906809 NIYZUGMPHWXWMC-UHFFFAOYSA-N 342.307 1.394 0 40 EDAB O=C(N1CCOCC1)N1CCO[C@@H](c2noc(-c3ccccc3)n2)C1 96000530 GBFURHXLKQJIBK-CQSZACIVSA-N 344.371 1.562 0 40 EDAB COc1ccc2c(C)c(CC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2c1 4062124 WKDTXRHALDJATM-INIZCTEOSA-N 347.367 1.878 0 40 EDAB biogenic Cc1nc2ncc(C(=O)N[C@@H](C)c3nnnn3-c3ccccc3)cc2[nH]1 96011224 NWPLLXNZWGQMGT-JTQLQIEISA-N 348.370 1.733 0 40 EDAB CCCn1c(C)c(C)n2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 4314439 IXUFFHJFYCBTLC-LLVKDONJSA-N 345.403 1.326 0 40 EDAB CNC(=O)c1cccc(NC(=O)NCCNC(=O)OC(C)(C)C)c1 65359126 JUZFEGUJLZTSLM-UHFFFAOYSA-N 336.392 1.692 0 40 EDAB Cc1ccc(C(=O)NCC(=O)NCCc2nc3ccccc3[nH]2)cc1 9338227 USZTZCYEUQHAGG-UHFFFAOYSA-N 336.395 1.960 0 40 EDAB COCCOC(=O)Nc1cccc(NC(=O)c2cc[n+]([O-])cc2)c1 65498545 KBHPPDAYWYBVQE-UHFFFAOYSA-N 331.328 1.767 0 40 EDAB CC(=O)NCCc1c[nH]c2ccc(OC[C@@H](O)CNC(C)(C)C)cc12 4419624 YHWFSLPHIBXEHP-HNNXBMFYSA-N 347.459 1.974 0 40 EDAB C/C=C/c1ccc(OCC(=O)N(C)CCN2CCOCC2)c(OC)c1 65534336 ZJIJFAJUEMSPMN-SNAWJCMRSA-N 348.443 1.898 0 40 EDAB C[C@H](Sc1nnc(N)s1)C(=O)N1CC(=O)Nc2ccccc21 14158256 WOYYERFOEILRHB-ZETCQYMHSA-N 335.414 1.586 0 40 EDAB CC(=O)Nc1nc(CN2CCN(Cc3nccn3C)CC2)cs1 65625090 CPSRNJLXHIBNCS-UHFFFAOYSA-N 334.449 1.153 0 40 EDAB Cn1cc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)c(=O)n(C)c1=O 93868359 PKWZNHHEVHNEAO-SJORKVTESA-N 343.427 1.172 0 40 EDAB COc1ccccc1NC(=O)CN1CCN(Cc2cccn2C)CC1 93814935 CUMCTBPYMCTZNQ-UHFFFAOYSA-N 342.443 1.790 0 40 EDAB CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(=O)Nc2ccccc21 66649913 ZUMATAOGAGAMST-AAEUAGOBSA-N 333.413 1.102 0 40 EDAB Cc1nnsc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19897923 JCZXMSCUNQXKID-UHFFFAOYSA-N 346.412 1.533 0 40 EDAB COc1ccc(C[C@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 90018326 DQLIIJKZTYQKBB-SUMWQHHRSA-N 328.416 1.755 0 40 EDAB O=C1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCN1 7216333 IELQAKPAVHTBRH-UHFFFAOYSA-N 342.726 1.479 0 40 EDAB O=C(Cc1cccc(F)c1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 96432210 XENNAHPSOFZSPO-ZDUSSCGKSA-N 337.376 1.563 0 40 EDAB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccccc1F 7883121 COIBQORXISYBJD-LBPRGKRZSA-N 337.376 1.485 0 40 EDAB CCCn1c(=O)n(C)c(=O)c2c(SCOC)nc(C(C)C)nc21 7983703 NDPOOYYNHUIMPY-UHFFFAOYSA-N 338.433 1.720 0 40 EDAB Cc1ccc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cn1 70037129 JDPXZTLKXHVHNA-SFHVURJKSA-N 325.412 1.881 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)Nc3c(C)n[nH]c3C)C2)n1 71877644 SGZDKGCDOXXNET-OAHLLOKOSA-N 345.451 1.586 0 40 EDAB Cc1ccc(CC(=O)N2CCN(CC(=O)N[C@@H](C)C3CC3)CC2)cc1 69384348 ZUHKCUVMBRPCES-INIZCTEOSA-N 343.471 1.596 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1 69351633 ICTJMJSIGPPESV-AWEZNQCLSA-N 348.472 1.465 0 40 EDAB O=C(CCNC(=O)Nc1ccccc1)NCc1nnc2ccccn12 8326957 SEYQEUJXCPFKAZ-UHFFFAOYSA-N 338.371 1.557 0 40 EDAB COc1ccc(OC)c(C(=O)N(C)CC(=O)NCc2ccco2)c1 8389287 JZTISSDBFYODHJ-UHFFFAOYSA-N 332.356 1.685 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(CC2CC2)C1 71847426 RLVQVFACAVJXFZ-HOCLYGCPSA-N 342.395 1.376 0 40 EDAB CCCc1noc2ncc(C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)cc12 71830083 SZCZLGZZOWRHEF-GHMZBOCLSA-N 330.388 1.901 0 40 EDAB O=C(CN(Cc1ccccc1)CC1CCOCC1)NC(=O)NC1CC1 71897270 FOAQOJFOTZGUPH-UHFFFAOYSA-N 345.443 1.903 0 40 EDAB O=c1cc(CN2CCc3cncnc3C2)nc2ccc(Cl)cn12 69489670 MHUWHVCUNSNFBT-UHFFFAOYSA-N 327.775 1.696 0 40 EDAB Cc1csc2nc(CN3CCC[C@H]3Cn3cncn3)cc(=O)n12 69697724 PXMDSWCARHNZHK-ZDUSSCGKSA-N 330.417 1.321 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N[C@@H]2CCCN(Cc3noc(C)n3)C2)no1 69624562 PKFLTLIHIRFFEP-DGCLKSJQSA-N 348.407 1.256 0 40 EDAB C[C@@H](O)CN1CCC(CN(C)Cc2nccn2CC(F)(F)F)CC1 69658774 MEWDYXSJPZPOCY-CYBMUJFWSA-N 348.413 1.970 0 40 EDAB CCOCCN1CCN([C@@H](C)C(=O)Nc2ncccn2)C[C@@H]1CC 69697984 ZSFOIGWOFAAFQT-GJZGRUSLSA-N 335.452 1.236 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCC[C@@H]1Cn1cncn1 69653300 VSXGQQHWKOXFTP-SOUVJXGZSA-N 345.451 1.937 0 40 EDAB CN(CCOC(=O)[C@H](CO)NC(=O)c1ccccc1)c1ccccc1 83860971 CJDWPFFPXYAQGQ-KRWDZBQOSA-N 342.395 1.457 0 40 EDAB CN(C)c1cc(C(=O)NCCCCN2CCOCC2)cc(Cl)n1 71903790 JTMTYIQWIZXGFB-UHFFFAOYSA-N 340.855 1.643 0 40 EDAB CSc1nnc(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)s1 69769045 CWNCEECVKLCVKN-ZDUSSCGKSA-N 335.414 1.622 0 40 EDAB Cc1cc(CN2CCN(C[C@@H](O)COc3ccccc3)CC2)on1 69849437 WLQVDMOTHGFSLQ-MRXNPFEDSA-N 331.416 1.541 0 40 EDAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(=O)n(C)n1 88201114 WQVXKGPHTTXKQG-CQSZACIVSA-N 326.400 1.651 0 40 EDAB COc1ccc(CC(=O)NCCNC(=O)c2ccc(O)cc2)cc1F 83953130 NRTYEJIVJRDMON-UHFFFAOYSA-N 346.358 1.629 0 40 EDAB CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2cnc(O)cn2)C1 72122472 PSNZVLMWKDUXCE-MRXNPFEDSA-N 340.427 1.961 0 40 EDAB CC/C(NCCN(C)C)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 19363103 AKSPKOFMRUMFLZ-FYWRMAATSA-N 344.415 1.393 0 40 EDAB Cc1noc(C)c1CNC(=O)CN1CCC[C@H](c2ccnn2C)C1 72270371 XYURVGLEJBERFP-AWEZNQCLSA-N 331.420 1.521 0 40 EDAB CC[C@H]1CN(Cc2nc(C)no2)[C@H](CC)CN1Cc1nc(C)no1 72293958 RRUOBDVAHPEZIL-OKILXGFUSA-N 334.424 1.944 0 40 EDAB CN(C(=O)CNC(=O)c1ccc(Br)cc1)[C@@H]1CCOC1 97163127 GHRLINNMEUTPHP-GFCCVEGCSA-N 341.205 1.426 0 40 EDAB Cc1cc(C)c(-c2cc(NC(=O)Cn3cn[nH]c3=O)[nH]n2)cc1C 97103357 HKHLXKSWSALTMZ-UHFFFAOYSA-N 326.360 1.525 0 40 EDAB CN(C)C(=O)NCCNc1nc(-c2ccncc2)nc2c1CCC2 97237798 IMUXAMZJMIGRGO-UHFFFAOYSA-N 326.404 1.710 0 40 EDAB CC(C)N1C(=O)C[C@H](NC(=O)c2ccccc2C(F)(F)F)C1=O 95963540 XLJRZMHEJYNZDL-NSHDSACASA-N 328.290 1.971 0 40 EDAB COc1ccc(C(=O)N(CCC(=O)O)C2CCOCC2)c(OC)c1 95970185 ZZDCPLWMPVVHLV-UHFFFAOYSA-N 337.372 1.800 0 40 EDAB O=C(Nc1ccc(N2CCCC2=O)cc1)NC1(CCO)CCOCC1 84414359 UCWAMJFCIZNFRQ-UHFFFAOYSA-N 347.415 1.867 0 40 EDAB CN(C)CCN(C)S(=O)(=O)Cc1ccc(Br)cc1 89314263 URRZYDYKFPJNKS-UHFFFAOYSA-N 335.267 1.772 0 40 EDAB Cc1n[nH]c(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 75110675 KVQVLQGFJDJXOV-UHFFFAOYSA-N 349.416 1.061 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2nccn3ccnc23)C1 89884733 QDUQHJTVLPUFAE-CYBMUJFWSA-N 327.388 1.108 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306125634 CWNPMFRBFCHQLL-AWEZNQCLSA-N 340.445 1.680 0 40 EDAB CC(C)[C@@H](N)C(=O)N[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79393249 UGTVQOVFSHGLIE-JKSUJKDBSA-N 333.432 1.887 0 40 EDAB Nc1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2)c1 216745186 IFRSOWUBIJJADW-UHFFFAOYSA-N 333.413 1.906 0 40 EDAB O=C(Cc1cccc(NC(=O)c2nccnc2C(=O)O)c1)NC1CC1 72400773 DNCPFNDYDOGRHT-UHFFFAOYSA-N 340.339 1.248 0 40 EDAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 210852839 NWWOGFSIPNFMOU-GXDHUFHOSA-N 346.408 1.890 0 40 EDAB COc1ccc(F)cc1C(=O)N1CCCN(CC(=O)N(C)C)CC1 32831247 DEUBCVKZSSLWCD-UHFFFAOYSA-N 337.395 1.070 0 40 EDAB Cc1cc(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)no1 70816470 GGLUEUPTBTVXKA-UHFFFAOYSA-N 329.312 1.422 0 40 EDAB COC(=O)[C@@H](C)NC(=O)c1cc(F)ccc1NC(=O)N1CCCC1 71333231 WZRRNIOWVHVFGM-SNVBAGLBSA-N 337.351 1.745 0 40 EDAB NCC1(CN)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 218449154 RHVLHVIVOKPUKP-HZPDHXFCSA-N 334.416 1.669 0 40 EDAB Cc1csc(=O)n1CC(=O)NC[C@H](c1cccs1)N(C)C 40480648 VIPBVLFDAKLEAX-LLVKDONJSA-N 325.459 1.699 0 40 EDAB C[C@@H](c1ccccc1)N(C)C(=O)c1cc(N2CCNC(=O)C2)ccn1 188751975 CHFDOYDVMYYWIM-AWEZNQCLSA-N 338.411 1.851 0 40 EDAB CCCc1nnc(NC(=O)C2CCC(Cn3cnnn3)CC2)s1 44917042 CXDOHKMVBDVGCB-UHFFFAOYSA-N 335.437 1.922 0 40 EDAB O=c1onc(-c2ccccc2)n1C[C@H](O)CNC[C@@H]1C[C@H]1C1CCC1 569961689 GFSSVPODNIZHIO-BBWFWOEESA-N 343.427 1.890 0 40 EDAB COc1ccc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cc1 85436208 IRKJVOAMJSOYKJ-QGZVFWFLSA-N 345.443 1.796 0 40 EDAB biogenic,in-vitro CN(C)CCNC(=O)CCn1nc(-c2cccc(Cl)c2)ccc1=O 41253694 QWCBGKCBQUDJGE-UHFFFAOYSA-N 348.834 1.632 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)CN2CCC(CO)CC2)C[C@H]1c1ccccc1 1595186277 XTMMRDHCROUUDL-DLBZAZTESA-N 346.427 1.018 0 40 EDAB O=C(NC[C@@H]1Cn2nnc(-c3ccsc3)c2CO1)[C@@H]1CCOC1 96199192 JDXDKJPVTPEXFT-ZYHUDNBSSA-N 334.401 1.058 0 40 EDAB CN(C)C(=O)[C@]12CCCN(CC3CC3)C[C@H]1CN(c1ncccn1)C2 96056115 ZBLCZURMJQVNPA-LPHOPBHVSA-N 343.475 1.493 0 40 EDAB COC(=O)c1nnn(CC(=O)c2cc(C)c(C)cc2C)c1C(=O)OC 98212734 RDSSAJHRDKEWQL-UHFFFAOYSA-N 345.355 1.659 0 40 EDAB O=C1NC[C@H](COc2cccnc2)[C@]12CCN(Cc1nccs1)C2 96219673 BBNIWIFRLHCJSA-CXAGYDPISA-N 344.440 1.555 0 40 EDAB Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCC(=O)N[C@H]3C)c2)nn1 583242233 OXGZUWIFRXHVKW-SWLSCSKDSA-N 339.399 1.926 0 40 EDAB Cc1cccc(N2CCN(C(=O)CN(C)[C@@H]3CCSC3)[C@H](C)C2)n1 96486750 MNNFYVCZKVCRCE-HZPDHXFCSA-N 348.516 1.864 0 40 EDAB C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)CC(=O)NCC(F)(F)F 97235740 MLBKDTDIZDBVID-GXFFZTMASA-N 344.333 1.906 0 40 EDAB CNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccc3ccccc3n1)C2 96038772 OKSRGILEXGCZPA-IEBWSBKVSA-N 325.412 1.962 0 40 EDAB COc1cccc([C@@](C)(CC(=O)O)NC(=O)c2cc(C)ncn2)c1 579800806 PYAKGQQLSKASMB-QGZVFWFLSA-N 329.356 1.914 0 40 EDAB CS(=O)(=O)N1CCc2c(NC(=O)NC3C[C@@H]4C[C@H]4C3)cccc21 580067314 GCTJEOJLGZLREK-QWRGUYRKSA-N 335.429 1.929 0 40 EDAB COCCNC(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 96043179 GUGWBJIQZSGORA-KSZLIROESA-N 332.444 1.471 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96075422 QOUXSOFGCFYSRK-INIZCTEOSA-N 343.427 1.602 0 40 EDAB CCS(=O)(=O)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 96058356 VOMVQCIIJZRHTR-ULQDDVLXSA-N 336.457 1.439 0 40 EDAB CN(C)C(=O)N1CCc2c(nnn2C)[C@H]1COCc1cccnc1 96045321 AZLYSQKXTYKHPC-CQSZACIVSA-N 330.392 1.008 0 40 EDAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Cc2cnn(C)c2)cc1 583616093 KOPDYDFHBNTTTG-IEBWSBKVSA-N 343.427 1.870 0 40 EDAB O=C(c1ccnnc1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 96187905 RHRMCKRLMPWPIS-CQSZACIVSA-N 327.388 1.372 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(Cc1ccco1)CC2 96061511 SGJRWZWJRNSONI-MRXNPFEDSA-N 328.416 1.994 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(C(=O)/C=C/c3ccc(C)o3)CCO2)n1 96432797 PCBLKMGSHDQTBP-MOEXGYKKSA-N 330.388 1.737 0 40 EDAB CCN1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)c3cnn(C)c3)C2)C1 96220701 GTLLYIKLWPBWLE-PKOBYXMFSA-N 346.475 1.631 0 40 EDAB O=C1COC2(CCN(C(=O)c3cccnc3)CC2)CN1CC1CC1 96062164 ABMKQQGUKSIVBU-UHFFFAOYSA-N 329.400 1.325 0 40 EDAB CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ncc(C)o1 330710422 PEQDOZJQDINTGQ-CHWSQXEVSA-N 343.449 1.755 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)NCc2ccc3c(c2)CCC3)cn1 96421437 FKZXNTVXGTVDBI-SFHVURJKSA-N 328.416 1.616 0 40 EDAB CN1CCN(C[C@@H]2OC[C@H]3CN(C(=O)c4ccsc4)CC[C@H]32)CC1 96064303 IMLNWCGELOVLIS-ZACQAIPSSA-N 349.500 1.473 0 40 EDAB O=C(c1ccncc1)N1CCO[C@@H]2[C@@H](CNc3ncccn3)CC[C@H]21 96082564 KXTIJCFUNXUZMD-BZUAXINKSA-N 339.399 1.603 0 40 EDAB CO[C@@](C)(CO)CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 585091079 UZFQTVYBXRCXPF-PBFPGSCMSA-N 344.452 1.536 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)CCCc1nnc2ccc(OC)nn12 96118696 ISYPOUNCIKSUPY-CYBMUJFWSA-N 346.435 1.056 0 40 EDAB C[C@H]1CN(C(=O)CNC(=O)c2ccc(F)cc2F)C(C)(C)CO1 97095703 JCKYPTGGEJNGMS-JTQLQIEISA-N 326.343 1.721 0 40 EDAB CCn1cnnc1CNS(=O)(=O)c1cc(Cl)cnc1Cl 585115706 PORDSYIFPMLDPO-UHFFFAOYSA-N 336.204 1.478 0 40 EDAB O=C(N[C@H](CO)C(=O)NCCc1ccccn1)OCc1ccccc1 585121861 CPAFVZMTAKATNG-MRXNPFEDSA-N 343.383 1.028 0 40 EDAB COc1ccc(S(=O)(=O)N2CC3(C[C@H](OC)CS3)C2)cc1F 248124727 HEQOTQPOKUJZRU-JTQLQIEISA-N 347.433 1.729 0 40 EDAB O=C(c1ncccn1)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 247884197 WOBNTWUFHVLFAR-CQSZACIVSA-N 340.383 1.320 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)CC 242701718 WLUYELGZVMMBFV-IIAWOOMASA-N 325.430 1.404 0 40 EDAB c1cc(CN2CCOC[C@@]3(C2)CN(C[C@H]2CCOC2)CCO3)ccn1 247835795 NIZUIXPMYNVJKN-RTBURBONSA-N 347.459 1.021 0 40 EDAB C[C@]1(O)CN(CC(=O)N2CCCCC2)CC[C@@H]1Oc1ccccc1 257236729 HDMNLSYFXKMOLK-HKUYNNGSSA-N 332.444 1.903 0 40 EDAB C[C@@H]1CN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C)O1 26461367 WKPDTPSOKRDVDS-GHMZBOCLSA-N 335.360 1.173 0 40 EDAB Cc1cc(N2CC[C@@H](Oc3cccnc3N(C)C)C2)n2ncnc2n1 252483130 DVSBHRRFWBNRAL-CYBMUJFWSA-N 339.403 1.551 0 40 EDAB COCCC(=O)N1CCC(c2cn3nccc3c(N(C)C)n2)CC1 257216228 CTPYLAQLMDJUGR-UHFFFAOYSA-N 331.420 1.538 0 40 EDAB Cc1cc([C@H]2CN(C(=O)CCCn3cncn3)CCO2)nc(C)n1 257265082 LXGROIXODQTVAE-OAHLLOKOSA-N 330.392 1.065 0 40 EDAB CNC(=O)c1ccc(N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)nn1 252537577 LPJNYXRZZWQQJB-CJNGLKHVSA-N 347.369 1.972 0 40 EDAB Cc1nnc2n1C[C@H](CN=c1nc(C3CCOCC3)[nH]s1)CC2 596124799 NVCFQTDGHVFWJY-NSHDSACASA-N 334.449 1.428 0 40 EDAB COc1ccc(S(=O)(=O)N2c3ncnn3CC[C@@H]2C)cc1F 1616042282 QBDHHKKZSITIAL-VIFPVBQESA-N 326.353 1.413 0 40 EDAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)NCCc1c[nH]cn1 35598230 HXBYAXXQCKMBKI-CQSZACIVSA-N 341.371 1.249 0 40 EDAB biogenic C[C@]1(CNC(=O)c2ccsn2)CCN(C(=O)c2ccsn2)C1 296416059 VKLKWOIYUXYRRR-CQSZACIVSA-N 336.442 1.882 0 40 EDAB CC(C)[C@@H](Cn1ccnn1)NS(=O)(=O)c1ccccc1Cl 575605836 ANWIAZZRHLWXSO-GFCCVEGCSA-N 328.825 1.935 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575405672 UACZTOCICWKQGM-JTQLQIEISA-N 332.422 1.509 0 40 EDAB Cc1ncc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCOCC2)C3)[nH]1 585104055 KZVUCHAFAFMMEY-HNNXBMFYSA-N 348.447 1.062 0 40 EDAB CCn1c(O)nc2ccc(C(=O)NC3(CC(=O)O)CCOCC3)cc21 663123460 MZXUEGIXANIKNR-UHFFFAOYSA-N 347.371 1.516 0 40 EDAB CNc1cc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)ccn1 585275763 GXXXWMAVALDSPG-IRXDYDNUSA-N 343.402 2.471 0 40 EDAB CN(C)C(=O)Nc1cccc(C(=O)OCCNc2ccncn2)c1 585136158 TXYOWNUKHLVGOS-UHFFFAOYSA-N 329.360 1.839 0 40 EDAB O=C1[C@H]2CN(C(=O)C3(F)CCC3)C[C@@H]2CCN1Cc1cccnc1 585107816 CIPWIQKNUYCERJ-GJZGRUSLSA-N 331.391 1.781 0 40 EDAB Cc1nc(C)n(CCN[C@H]2CCC[C@@H](Oc3ccccc3F)[C@@H]2O)n1 585289664 LQWITJWHXGTBQJ-CGTJXYLNSA-N 348.422 1.985 0 40 EDAB Cc1cc(CN2CCC[C@]3(C2)CN(Cc2cncs2)C3=O)n(C)n1 585099319 DHDRSKCCQNVWLS-KRWDZBQOSA-N 345.472 1.810 0 40 EDAB COc1ccc(CC[C@@H](C)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 67069116 RQOPJKKJNAMUSB-HIFRSBDPSA-N 339.457 1.957 0 40 EDAB Cc1nc(CN2CCC[C@H](N(C)Cc3nnsc3Cl)C2)no1 71870499 JMHJRMZCFDUATC-JTQLQIEISA-N 342.856 1.979 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)NC[C@@H](C)N1CCOCC1 44935768 REXILAGLKQQTTB-CQSZACIVSA-N 333.432 1.878 0 40 EDAB O=C(N[C@@H](c1ccccc1)c1ccccn1)N[C@@H]1CCS(=O)(=O)C1 47594093 RLTKDEUWTXHUAM-ZBFHGGJFSA-N 345.424 1.657 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)Nc1c(F)cccc1F 57290197 AASCNPQRBJUKJY-UHFFFAOYSA-N 333.342 1.516 0 40 EDAB CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCC[C@H]2CCOC2=O)nn1 583621522 WZIRMHRWAQZHKP-MELADBBJSA-N 336.436 1.532 0 40 EDAB COc1ccc(Br)c(C(=O)N2CCOC[C@@H]2CO)c1 85469452 DEMFEBOWMOHROZ-VIFPVBQESA-N 330.178 1.291 0 40 EDAB CO[C@@H]1CCC[C@@H](NC(=O)c2nnn(-c3ccc(F)cc3)c2C)[C@H]1O 1615076146 MNYQYMIJCYNZPK-IIAWOOMASA-N 348.378 1.373 0 40 EDAB Cc1cc2n(n1)C1(CCN(C(=O)c3ccncc3)CC1)CC(=O)N2C 1772596184 PICSYNDXKJORTA-UHFFFAOYSA-N 339.399 1.585 0 40 EDAB CCN(CC)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 5597800 LZNOLUOHNUIJCV-UHFFFAOYSA-N 328.434 1.638 0 40 EDAB O=C1/C(=C/c2ccc(Cl)cc2)NC(=S)N1CN1CCOCC1 5841044 FRISGZYAUUFDKT-LCYFTJDESA-N 337.832 1.687 0 40 EDAB CC(C)(C)OC(=O)COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 11337281 GSRNFFFSLBGWHS-UHFFFAOYSA-N 348.355 1.237 0 40 EDAB CCc1nn(CC(=O)NCCOC)c(=O)c2cc3ccsc3n12 12114287 LYYYFJZAAWTTKV-UHFFFAOYSA-N 334.401 1.036 0 40 EDAB COc1ccc(CC(=O)N2CCn3c(nnc3C3CC3)C2)cc1OC 12158716 KPXRGXUEDCQNFB-UHFFFAOYSA-N 342.399 1.758 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)cc1Cl 16322861 UVXRCOTZORBUDE-UHFFFAOYSA-N 348.852 1.884 0 40 EDAB CCCC(=O)NCCn1nc([C@H]2CCN(C(C)=O)C2)c2cccnc21 19501752 SNRUHWOMMMYHNB-AWEZNQCLSA-N 343.431 1.683 0 40 EDAB CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(CC)CC1 19502128 VQMITMDPZCWEEE-CVEARBPZSA-N 336.484 1.721 0 40 EDAB CCOC(=O)CCC1(CCC(=O)OCC)C(=O)OC(C)(C)OC1=O 504815724 VBRYYLKXUUYJJE-UHFFFAOYSA-N 344.360 1.496 0 40 EDAB CCCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCN(C)CC1 14033051 YGKCKOUPUXWLOU-CYBMUJFWSA-N 336.461 1.007 0 40 EDAB CO[C@@H]1CC[C@@H](N(C)C(=O)COc2ccc(F)c(Cl)c2)[C@H]1O 257231589 GHJOFXJZTFEVIR-UMVBOHGHSA-N 331.771 1.855 0 40 EDAB CC(=O)N1CCN(C(=O)CCN2CCCC2)C[C@H]1c1ccccc1 1848355288 ZZMLYLQORLQTSD-SFHVURJKSA-N 329.444 1.904 0 40 EDAB CCc1ncnc(N2CCN(c3ncnc4c3ncn4C)CC2)c1F 1888885524 ZJPRLZZPNJTOMS-UHFFFAOYSA-N 342.382 1.181 0 40 EDAB NC(=O)c1ccc(Nc2ncnc3c2ncn3C[C@@H]2CCCO2)cc1 1888906787 YMODTXINRPIYDQ-ZDUSSCGKSA-N 338.371 1.848 0 40 EDAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc(-n2ccnc2)nc1 25007920 VBVKXZGSTZNHDN-UHFFFAOYSA-N 335.367 1.565 0 40 EDAB CC[C@H](NC(=O)CCCCCO)C(=O)OCCCCCC(=O)O 2060999832 WTHPLGJLYPHHQZ-ZDUSSCGKSA-N 331.409 1.622 0 40 EDAB Cc1cc(=O)n2c(n1)CC[C@@]1(CCN(C(=O)c3csnn3)C1)CC2 1565553691 IAJAEIRINVYVDW-MRXNPFEDSA-N 345.428 1.272 0 40 EDAB CCOc1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1 4078700 QSZAGOOYVCPQOU-UHFFFAOYSA-N 333.369 1.783 0 40 EDAB COc1ccccc1CNS(=O)(=O)CCNC(=O)c1ccccc1 4940913 JOJNLXCJXHIMGR-UHFFFAOYSA-N 348.424 1.545 0 40 EDAB CCOc1ccc(C(=O)CCN[C@@H](Cc2cnc[nH]2)C(=O)O)cc1 6420009 YTKPNVITJRTREB-HNNXBMFYSA-N 331.372 1.667 0 40 EDAB CCC(=O)Nc1nonc1OCCn1nnc(-c2ccccc2)n1 10337232 APWPMAYMBLBNAA-UHFFFAOYSA-N 329.320 1.151 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccno3)o2)c1 12234535 ZWTGDUNUIDJCBL-UHFFFAOYSA-N 334.313 1.380 0 40 EDAB COC(=O)c1ccc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1 12443039 JPIOUWCCNXBWLK-UHFFFAOYSA-N 341.327 1.817 0 40 EDAB O=C(N[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1)c1cocn1 2055738972 DYRQCMTXQQFSQQ-LLVKDONJSA-N 344.371 1.622 0 40 EDAB COCCN1CCC(CNC(=O)C(=O)N[C@H](C)c2ccccc2)CC1 23127356 URBKBTIAIWYTHR-OAHLLOKOSA-N 347.459 1.338 0 40 EDAB COC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 26455743 FKFIUEJKWXHBEW-INIZCTEOSA-N 345.399 1.572 0 40 EDAB CC(=O)c1ccc(OCC(=O)NCCCn2ncccc2=O)cc1 38488191 HLZJODCCZTWYLQ-UHFFFAOYSA-N 329.356 1.031 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCC2)c1 225594577 SPOPUAJRNFRGFV-GFCCVEGCSA-N 326.447 1.207 0 40 EDAB COc1cccc(S(=O)(=O)NCC2(O)Cc3ccccc3C2)c1 225716147 XPUHAVMIBPTKEY-UHFFFAOYSA-N 333.409 1.503 0 40 EDAB CC[C@H](C)[C@@H](C(=O)NCc1nc2ccccc2n1C)n1cnnn1 604419448 SMNFMUZUUYIBTH-NHYWBVRUSA-N 327.392 1.463 0 40 EDAB Cc1nnc(CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)o1 2298188597 JMGCJIOWLNGPTL-GFCCVEGCSA-N 328.363 1.848 0 40 EDAB COC(=O)c1ccc(C(=O)NC[C@]2(O)CCOc3ccccc32)cc1 75158111 SLEGKOQBXOXESU-LJQANCHMSA-N 341.363 1.873 0 40 EDAB C[C@H](Nc1nnnn1-c1ccccc1)c1ccc(S(N)(=O)=O)cc1 7780864 RCEWYAOHMITCPF-NSHDSACASA-N 344.400 1.483 0 40 EDAB Cc1ccc([C@@H](CNC(=O)c2cc(C3CC3)[nH]n2)N2CCOCC2)o1 40497888 KNKYUASRANWICM-MRXNPFEDSA-N 344.415 1.992 0 40 EDAB Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)c1c([nH]c(=O)[nH]c1=O)N2 31807671 GLYRGUWRAQGRSG-JTQLQIEISA-N 329.747 1.985 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccc(F)cc2)no1 40528923 MDPFZMCIKFBFIE-LLVKDONJSA-N 340.376 1.914 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)c1nnc(C2CC2)n1C 40555246 ZTQSISUXKCNCFY-NSHDSACASA-N 348.428 1.171 0 40 EDAB COc1ncccc1NC(=O)CCN1C(=O)COc2ccccc21 40539872 YPSHWRFVZPZLML-UHFFFAOYSA-N 327.340 1.844 0 40 EDAB C[C@@H]1COCCN1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 40520518 RNZOXDZVGHAXOW-MRVPVSSYSA-N 346.792 1.080 0 40 EDAB COC(=O)c1sccc1NC(=O)N1CCC[C@@H](CNC(N)=O)C1 40554327 NRLILNPIGQPZLI-VIFPVBQESA-N 340.405 1.447 0 40 EDAB CC[C@](C)(CNC(=O)Cc1cn2ccsc2n1)N1CCOCC1 31929105 KGLQRSAWTQVSDX-MRXNPFEDSA-N 336.461 1.555 0 40 EDAB Cc1occc1C(=O)NCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101572215 RLXYULJYAPLUFG-NZBPQXDJSA-N 328.368 1.515 0 40 EDAB O=C(CCN1CCC(N2CCNC2=O)CC1)N1CCc2ccccc21 52217404 OHUNLHRXVYJPDL-UHFFFAOYSA-N 342.443 1.455 0 40 EDAB Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102912601 VQYPJPWZNUUCNH-OFQRWUPVSA-N 334.441 1.602 0 40 EDAB CN1CCN(CCNC(=O)c2ccc(SC(F)F)cc2)CC1 41908685 OYDOKZRPNXJLML-UHFFFAOYSA-N 329.416 1.979 0 40 EDAB NC(=O)c1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1 53666754 RUTNUPMKOYDRDF-UHFFFAOYSA-N 337.423 1.786 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N[C@H](C)C3CC3)CC2=O)cc1OC 23056425 GUQAXYDSVRZVRR-DGCLKSJQSA-N 332.400 1.971 0 40 EDAB O=C(CCCn1nnc2ccccc2c1=O)NCCn1cccc1 71283987 CSROLWANJYOYKJ-UHFFFAOYSA-N 325.372 1.190 0 40 EDAB COc1ccccc1N1CCN(CC(=O)Nc2cc(C)no2)CC1 12486360 AIXOPKODAFGPIR-UHFFFAOYSA-N 330.388 1.752 0 40 EDAB CC(=O)N1CCCN([C@H]2CN(CCOc3ccccc3)C[C@H]2C)CC1 78896288 SRCJJTNMOXJMQP-XLIONFOSSA-N 345.487 1.940 0 40 EDAB CC[C@@H](CCO)CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 79074341 IETQRZFUHPXBLH-DOTOQJQBSA-N 332.444 1.868 0 40 EDAB COc1cc(CCC(=O)Nc2cccc(-c3nnn(C)n3)c2)on1 79492872 LCIJUQNHQGYPPI-UHFFFAOYSA-N 328.332 1.445 0 40 EDAB COc1cccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)c1 24449612 FSQCEAUDSRQZKS-UHFFFAOYSA-N 348.424 1.712 0 40 EDAB CN(C)c1ccc(S(=O)(=O)c2ccc3nc(N)nc(N)c3c2)cc1 6162682 BJYNCZFYNGHMGD-UHFFFAOYSA-N 343.412 1.693 0 40 EDAB Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)nc2)n(C)n1 43434233 CVPHNKCICDUYNP-UHFFFAOYSA-N 330.392 1.282 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N2CCC(c3ccccc3)=N2)C[C@@H]1C 106868034 CYVUHWWIAQACFN-HOTGVXAUSA-N 344.459 1.010 0 40 EDAB CC(=O)N1CCC(C(=O)Nc2cnn(C)c2)(c2ccccc2)CC1 25310147 BGAGUVBVOBVPFC-UHFFFAOYSA-N 326.400 1.939 0 40 EDAB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)N[C@H](C)Cn2ccnc2)C1 107136308 MPZGIPKVJJWDDB-BZUAXINKSA-N 349.479 1.998 0 40 EDAB Cc1cc(C)n(C2CN(C[C@H](O)c3ccc(S(C)(=O)=O)cc3)C2)n1 72268744 HTNSYNMZJHRBNX-KRWDZBQOSA-N 349.456 1.494 0 40 EDAB CC1(C)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 12686817 VKIXNCLOIIYLEO-UHFFFAOYSA-N 329.278 1.974 0 40 EDAB CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)C1CC1 44545536 BCJJWMMSJAWALX-GOSISDBHSA-N 329.400 1.773 0 40 EDAB O=C1CN(c2ccc(NC(=O)CCc3ccsc3)cn2)CCN1 27261388 GLVZVOSQNFQTGZ-UHFFFAOYSA-N 330.413 1.651 0 40 EDAB Cc1ccc(CNC(=O)[C@@H](C)S(=O)(=O)Cc2cc(C)no2)cc1 44643021 QYMGBCGMLVZSMT-CYBMUJFWSA-N 336.413 1.911 0 40 EDAB Cc1c(C2=NO[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)cnn1C 103508052 OAFCXRAKTZWPOZ-JSGCOSHPSA-N 344.758 1.674 0 40 EDAB CCOC(=O)[C@@H]1CCCCN1C(=O)C1CCN(c2ncccn2)CC1 58156471 ZHOBPORPUZNAQL-HNNXBMFYSA-N 346.431 1.637 0 40 EDAB Cc1cc(Cl)ccc1OCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 44865698 PTMQVZOSMLZPTA-AWEZNQCLSA-N 331.821 1.721 0 40 EDAB O=C(OCC(=O)N1CCOCC1)c1ccccc1Br 3323552 ZFALKPDBAQKHSZ-UHFFFAOYSA-N 328.162 1.465 0 40 EDAB CN1CCN(c2ncccc2CNS(=O)(=O)c2ccccc2)CC1 58265383 NGDZJALVIBIHHE-UHFFFAOYSA-N 346.456 1.312 0 40 EDAB CCNC(=O)NC1CCC(OC(=O)c2snnc2CC)CC1 58280356 WZANRCGGBPOTGV-UHFFFAOYSA-N 326.422 1.888 0 40 EDAB O=S(=O)(c1cccc(-n2cnnn2)c1)N1CC[C@@H]1c1ccccc1 58210905 SNRSXPBHLNBBLX-MRXNPFEDSA-N 341.396 1.798 0 40 EDAB C[C@H](CNC(=O)NCc1ccc(-n2cccn2)cc1)N1CCOCC1 44969244 ZLHKFNWMHBWUGJ-OAHLLOKOSA-N 343.431 1.392 0 40 EDAB CN(C(=O)COC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1 3302882 IOVWLYLOXGAVLS-UHFFFAOYSA-N 344.342 1.762 0 40 EDAB Cc1ccccc1CN(C)C(=O)CCc1nc(-c2nc[nH]n2)no1 58344286 NBGZHDMSJUITII-UHFFFAOYSA-N 326.360 1.754 0 40 EDAB O=C(NC1=NCC(O)=N1)c1cnc(OCC(F)(F)F)c(Cl)c1 58329002 PREIDSOSKVLINH-UHFFFAOYSA-N 336.657 1.732 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)NCC2(O)CCCCC2)cn1 58343372 RDEJZLMGPRLVBI-UHFFFAOYSA-N 327.406 1.302 0 40 EDAB COc1ccc2oc(C)c(C(=O)NC3CCN(CC(N)=O)CC3)c2c1 45056941 VNZDIXOTPRKEPR-UHFFFAOYSA-N 345.399 1.429 0 40 EDAB C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(Cc2ccccc2)C1=O 58424006 WSWYHKXBYHIANI-SFHVURJKSA-N 348.366 1.630 0 40 EDAB C[C@@H](N)C(=O)N1[C@@H]2CC[C@@H]1CC(O)(Cn1ccc3ccncc31)C2 100146398 JJGKMUOINUOBSS-BPLDGKMQSA-N 328.416 1.268 0 40 EDAB COc1cccc(NC(=O)CN2CCN(CC(F)(F)F)CC2)c1 22916869 GIIMQFWACQKMNV-UHFFFAOYSA-N 331.338 1.814 0 40 EDAB CON(C)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 36739245 UDTLEPBEHLNESX-UHFFFAOYSA-N 339.442 1.726 0 40 EDAB O=C(CN1CCN(C[C@H](O)c2ccccc2Cl)CC1)NC1CC1 46037689 QYQVHZMFPNSJQY-INIZCTEOSA-N 337.851 1.270 0 40 EDAB CCN(CC)CCOc1ccccc1CNS(=O)(=O)N(C)C 46035708 MWBAWHYNLNEERT-UHFFFAOYSA-N 329.466 1.303 0 40 EDAB C[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc(-n2ccnc2)cc1 29655541 MKZVFDWJNKKCCL-ZDUSSCGKSA-N 341.415 1.840 0 40 EDAB C[C@@H](NC(=O)NCCN1CCc2ccccc2C1)c1nncn1C 46281270 FKEHENPISMTAIG-CYBMUJFWSA-N 328.420 1.234 0 40 EDAB O=C1CN(C(=O)c2ccc(CNCc3ccc(F)cc3)cc2)CCN1 48716847 BASKXPJLQSEEKL-UHFFFAOYSA-N 341.386 1.688 0 40 EDAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)Cn2cnnn2)C1 48885769 FDUQBFOZSPKWFC-GJZGRUSLSA-N 342.447 1.467 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CCn2cccn2)c(C)c1F 96008591 VUMCTFVWSDUTFV-UHFFFAOYSA-N 327.381 1.660 0 40 EDAB Cn1cnc2cc(NC(=O)[C@@H](c3ccccc3)n3cnnn3)ccc21 95477644 XUPHQMPSQFKUFC-MRXNPFEDSA-N 333.355 1.788 0 40 EDAB COC[C@H](C)NC(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O 5059760 PEQWBUVJXDHIIL-RYUDHWBXSA-N 348.424 1.888 0 40 EDAB COc1cccc([C@@H](NC(=O)N2CCOC[C@H]2C)c2nccn2C)c1 65390769 IKHJUQOQCYFNSW-CZUORRHYSA-N 344.415 1.948 0 40 EDAB COCCN(Cc1cccnc1)S(=O)(=O)c1ccc2c(c1)CCO2 65487768 GBJRAZOREMRPBC-UHFFFAOYSA-N 348.424 1.854 0 40 EDAB CCN(Cc1cccs1)C(=O)Cc1ccc(S(N)(=O)=O)cc1 65552022 FPWHXTDYMPREAG-UHFFFAOYSA-N 338.454 1.987 0 40 EDAB CCCNC(=O)NC(=O)CN(C)Cc1nc(C)c2ccccc2n1 65589263 SLMXJBCIHULPAN-UHFFFAOYSA-N 329.404 1.606 0 40 EDAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 5341709 FAGKBCNYZDBABN-SKDRFNHKSA-N 326.399 1.111 0 40 EDAB CCc1ccc(-c2nnn(CC(=O)NC(=O)NC(C)(C)C)n2)cc1 14199268 DGZUYDPPZNBFSJ-UHFFFAOYSA-N 330.392 1.527 0 40 EDAB Cc1cc(OCC(N)=O)ccc1NC(=O)[C@H](C)c1c(C)nn(C)c1C 65620762 ADXYMMQBJBSDHC-LLVKDONJSA-N 344.415 1.952 0 40 EDAB CN(C)C(=O)CNC(=O)c1ccccc1I 6430190 FWOMQGNTNYSCBU-UHFFFAOYSA-N 332.141 1.109 0 40 EDAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 97212940 UWMDEEKKXZCADH-TUKIKUTGSA-N 330.359 1.782 0 40 EDAB Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(N)=O 95461228 FSDHELOJGDWNGO-AWEZNQCLSA-N 327.388 1.062 0 40 EDAB O=C(NCC(=O)N1CCCC1)c1cc(Br)ncc1F 95465127 SVRITQIRCASEJF-UHFFFAOYSA-N 330.157 1.335 0 40 EDAB O=C1CC[C@@H](C(=O)Nc2ccc(OCCc3ccncc3)cc2)N1 66423632 IKFUBPPOTQSSGM-INIZCTEOSA-N 325.368 1.920 0 40 EDAB NC(=O)CCn1ccc(NC(=O)Cc2csc(-c3ccco3)n2)n1 84432931 WKXFGHWFOYWDJI-UHFFFAOYSA-N 345.384 1.656 0 40 EDAB CCS(=O)(=O)CCNC(=O)c1nc(SC)n2ccccc12 68056489 MLSORTAXUYRNQJ-UHFFFAOYSA-N 327.431 1.221 0 40 EDAB CC(C)Cc1cc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)n[nH]1 96412722 PMFLTJQYXLLHQO-AWEZNQCLSA-N 334.464 1.839 0 40 EDAB Cn1ccnc1[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccccc1 96472395 RRCMGAQUZVIPEI-HOTGVXAUSA-N 349.456 1.998 0 40 EDAB CC(C)c1nc2n(n1)C[C@@H](NC[C@@H](O)COCc1ccccc1)CC2 70037374 PGYFKFAOYBVTFO-DLBZAZTESA-N 344.459 1.884 0 40 EDAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC[C@@H]1Cn1cccn1 71866457 FZVHKEZGUCPLPX-MRXNPFEDSA-N 349.394 1.734 0 40 EDAB C[C@@H](Cn1cccn1)NCCS(=O)(=O)c1ccc(Cl)cc1 69348256 DVBZTZSOLGMXAO-LBPRGKRZSA-N 327.837 1.989 0 40 EDAB CNC(=O)c1cccc(NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)c1 71882613 MERHZKVBZYNBCA-AWEZNQCLSA-N 347.440 1.686 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H](C(C)C)n3cncn3)CC2)on1 71819705 XUXVKDISZCASCF-HNNXBMFYSA-N 332.408 1.116 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1c(=O)n(C)c2ccccc21 71870386 ULPLUSSCDZMTGX-ZBFHGGJFSA-N 342.443 1.425 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)[nH]1 69529216 CUYPWPGFOWEDKO-IUCAKERBSA-N 340.792 1.604 0 40 EDAB CCc1nnc2n1C[C@H](CNCc1ccccc1-n1cncn1)CC2 69582375 VBOMKQSMLUEQSS-AWEZNQCLSA-N 337.431 1.773 0 40 EDAB CCc1ccc(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)s1 69538341 OKAIEQYLORGRFD-ZDUSSCGKSA-N 330.475 1.741 0 40 EDAB CC(C)(C)CN(CCCO)CC(=O)NCc1ccc2c(c1)OCO2 69619371 IHFGMSHSODQBCN-UHFFFAOYSA-N 336.432 1.762 0 40 EDAB CCOc1nnc(CN[C@H]2CCCN(Cc3noc(C)n3)C2)s1 69653663 DTPFLXQJXWMANY-NSHDSACASA-N 338.437 1.382 0 40 EDAB COc1ccc([C@H](O)CN2CCN(C[C@@H](O)C(C)(C)C)CC2)cc1 71871699 NGBZTYTVAUMZNS-QZTJIDSGSA-N 336.476 1.753 0 40 EDAB CC(C)(C)CCNC(=O)NCCS(=O)(=O)N1CCSCC1 71885931 SPOTWUKRVLHOGL-UHFFFAOYSA-N 337.511 1.100 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H]1Cn1cncn1 69742205 CCIACAKEJZUDNG-GOEBONIOSA-N 325.416 1.720 0 40 EDAB C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N[C@H](C)c1ccc(Cl)cc1 69779022 RAGOJZRZBLPWFR-DVOMOZLQSA-N 339.867 1.826 0 40 EDAB Cc1ccc(N2CCC[C@@H](N[C@H](C(N)=O)c3ccccc3)C2)nn1 69846998 BFVMVDFEPQJYIV-WBVHZDCISA-N 325.416 1.570 0 40 EDAB C[C@@H](CNC(=O)CCCOCCc1ccccc1)N1CCN(C)CC1 69892843 GXLUVCKBAAHQNM-SFHVURJKSA-N 347.503 1.778 0 40 EDAB CNC(=O)Cc1ccccc1NC(=O)N[C@H]1c2ccccc2C[C@H]1O 69811254 MSDYWRQHMLDUEX-AEFFLSMTSA-N 339.395 1.755 0 40 EDAB CC[C@@H]1CN(CCc2nc3ccccc3c(=O)[nH]2)CCN1CCOC 69841126 BWECDAHQDOMGLG-OAHLLOKOSA-N 344.459 1.508 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)on1 69977431 SAOMEMVIQFKVJS-VHSXEESVSA-N 348.325 1.405 0 40 EDAB CCN(C(=O)c1cc(=O)[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 69950375 NITMWPYMOUBRCL-NSHDSACASA-N 334.397 1.177 0 40 EDAB COCCN1CCC[C@H](OC(=O)[C@H](C)SC[C@@H]2CCCO2)C1 71913678 ZMBQJJCXYBSDEP-KKUMJFAQSA-N 331.478 1.941 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)N1CCn3c(C)nnc3C1)CO2 71185942 SSIVFUUPXSJUQA-UHFFFAOYSA-N 340.383 1.803 0 40 EDAB N[C@@H]1CCN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)C1 97019409 ZJHVFUQHLXHWKV-SECBINFHSA-N 343.284 1.598 0 40 EDAB O=C(NCCNC(=O)C1(c2cccc(F)c2)CCCC1)c1ccn[nH]1 97079915 ZJDIMABZHZJDNE-UHFFFAOYSA-N 344.390 1.907 0 40 EDAB COc1ccc(C(=O)N2CC[C@H](O)C2)c(I)c1 89432760 MATZFXURHGFQRW-QMMMGPOBSA-N 347.152 1.507 0 40 EDAB O=C(CCc1nc(-c2ncn[nH]2)no1)N[C@H]1C[C@@H]1C1CCCCC1 89761975 AXLNKIPJFKWPJO-NEPJUHHUSA-N 330.392 1.872 0 40 EDAB CC[C@@H](NC(=O)Cc1ccn[nH]1)[C@H]1CN(Cc2ccccc2)CCO1 89942893 JEJTZZCBTHERET-QZTJIDSGSA-N 342.443 1.748 0 40 EDAB C[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCO3)CCN1C[C@@H](C)O 89939175 SWWGXZNYMLDXSX-WDEREUQCSA-N 340.807 1.596 0 40 EDAB COCCN1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 75582019 BQYCRILNXNLZEA-MSOLQXFVSA-N 332.444 1.979 0 40 EDAB CNS(=O)(=O)c1ccc(N2CCC[C@@H](c3noc(C)n3)C2)nc1 76050247 YSJIDSVGXJZMKJ-LLVKDONJSA-N 337.405 1.065 0 40 EDAB COc1c(C)cnc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)c1C 76059160 UURGUGNBJIPNAI-FZKQIMNGSA-N 346.431 1.517 0 40 EDAB COc1ccc(CC(=O)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 408626128 ZYYJZCSXZIDIMK-PXQICXGYSA-N 337.375 1.817 0 40 EDAB CC(=O)N1C[C@H]2[C@@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 306138494 RYVJMRNSMIFTTO-LSDHHAIUSA-N 330.413 1.681 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@H]2COc1cccnc1 306137975 RLQBVKXKGFVYOE-ZDUSSCGKSA-N 326.356 1.182 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 533491171 OABZWWMPUGEQJE-QGZVFWFLSA-N 325.416 1.862 0 40 EDAB O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1c[nH]nn1 79311077 UHQNZWDYUFTDLL-SECBINFHSA-N 341.293 1.712 0 40 EDAB CC(C)NC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1 71287572 RWUMNACBADSRHT-UHFFFAOYSA-N 328.328 1.565 0 40 EDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@]1(COC)C(=O)O 218148524 BTXAAJYKDNSGIM-VNHYZAJKSA-N 342.369 1.033 0 40 EDAB CC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)O 217663015 LZJNNPABPAVNCD-MNOVXSKESA-N 344.433 1.908 0 40 EDAB C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCN(C)c1ccccc1 187257938 ZTOCNRIGZDNYEG-MRXNPFEDSA-N 348.491 1.609 0 40 EDAB Cc1ccnn1CC(=O)N[C@@H]1CCCc2c1cnn2-c1ccccn1 71195653 YUGHMUIEUCHKLP-OAHLLOKOSA-N 336.399 1.966 0 40 EDAB CCOC[C@@]1(N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218197407 PYCMUXXXFWUWNF-AVGNSLFASA-N 348.262 1.694 0 40 EDAB CCc1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)COC)C1 72350615 UMKUBGPSEUJQSE-CYBMUJFWSA-N 329.404 1.577 0 40 EDAB CNCC(=O)N1CCC[C@@H]1c1ccnc(Nc2ccc(C)cn2)n1 72383015 LZMHAGTUKHOSEA-CQSZACIVSA-N 326.404 1.807 0 40 EDAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)c1 223298510 GTYKUBUDKJOQAQ-UHFFFAOYSA-N 348.380 1.554 0 40 EDAB Cc1ccc(O[C@H]2CCN(C(=O)CCc3c(C)n[nH]c3C)C2)nn1 225429324 WSUQCTQXJBOECM-AWEZNQCLSA-N 329.404 1.737 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NC[C@@H]1CCCN(c2ccccc2)C1 569134863 FDQBSHFVSOXMCJ-HNNXBMFYSA-N 348.472 1.923 0 40 EDAB Cc1nnc(CN(C)Cc2nc(-c3ccc4c(c3)CCO4)no2)n1C 225502466 VPICAQNUEMVHBT-UHFFFAOYSA-N 340.387 1.740 0 40 EDAB Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)C[C@@H](C)O 190108751 YRYMKLGJCSKRIN-MRVPVSSYSA-N 340.214 1.898 0 40 EDAB C[C@@H](CO)NC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 575442940 CCFNEKPXQMUZBX-NFOMZHRRSA-N 343.427 1.700 0 40 EDAB CC(C)OCCCNC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 223868130 QCJDLDDDNNZOLZ-OAHLLOKOSA-N 342.461 1.550 0 40 EDAB FC(F)(F)c1cc(N2CC[C@@H]3CNC[C@@H]3CC2)n2ncnc2n1 576451489 DFGMWAVWIXULMY-AOOOYVTPSA-N 326.326 1.579 0 40 EDAB Cc1ccc(N[C@@H]2CO[C@@]3(CCN(Cc4cnn(C)c4)C3)C2)nn1 96072775 LYEZDWOAYCKQQR-RDJZCZTQSA-N 328.420 1.364 0 40 EDAB CC(C)OCc1nn(CC2CC2)c2c1CN(S(C)(=O)=O)CC2 96259828 SEEHTYUMKJESMK-UHFFFAOYSA-N 327.450 1.536 0 40 EDAB O=C(NCc1cccs1)[C@@H]1CO[C@@H]2CN(c3ncccn3)C[C@@H]21 96216021 NJCZWWKTABWSPF-MGPQQGTHSA-N 330.413 1.306 0 40 EDAB O=C([C@H]1CCCO1)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 96224468 RXQSFZKDKKSFGF-APWZRJJASA-N 343.427 1.602 0 40 EDAB Cn1cnn(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1=O 97082643 LAURBPJIJLPIOH-UHFFFAOYSA-N 325.159 1.518 0 40 EDAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1ccncc1)CC2 96201581 UZVJHWANTZBONR-AWEZNQCLSA-N 343.427 1.714 0 40 EDAB COc1cc(N2CCC3(CC2)C(=O)N(C)CCN3CC(C)C)ncn1 96230262 IZTOTPAQPMFJCB-UHFFFAOYSA-N 347.463 1.254 0 40 EDAB COc1cc(Br)ccc1CN1C[C@@H]2OCCN(C)[C@H]2C1 96500851 HKKKUBGLZGLDTK-ZFWWWQNUSA-N 341.249 1.973 0 40 EDAB O=S(=O)(C1CC1)N1CCCn2cnc(COCC3CC3)c2C1 96259970 VOMSVHKWJHLRGT-UHFFFAOYSA-N 325.434 1.508 0 40 EDAB COc1ccccc1[C@@H](CNS(=O)(=O)c1cn(C)cn1)OC 96385066 FMBJDFCYRFZUFO-CYBMUJFWSA-N 325.390 1.095 0 40 EDAB Cc1ccoc1C(=O)N1C[C@@H]2CN(Cc3cnn(C)c3)CCO[C@@H]2C1 96206842 BQFVNXPFJHWTPC-JKSUJKDBSA-N 344.415 1.295 0 40 EDAB CC(C)C(=O)N1CCN(C(=O)c2ccco2)C[C@@]2(CC(=O)N(C)C2)C1 97952754 UDOPDQHXFQUMCR-GOSISDBHSA-N 347.415 1.069 0 40 EDAB COc1cccc(CN2CC3(C[C@H](OCC(=O)N(C)C)CCO3)C2)c1 248047306 WSAGVPOEPAFCCT-QGZVFWFLSA-N 348.443 1.533 0 40 EDAB CC(C)C[C@@H](NC(=O)c1cnc(O)n1C)C(=O)Nc1nccs1 585131847 HXKMFHKVLYEHKB-SECBINFHSA-N 337.405 1.365 0 40 EDAB O[C@@H]1CN(CCCc2nc(-c3ccccc3)no2)C[C@H]1n1ccnn1 585116138 IKYOBBQDPBTYGY-HUUCEWRRSA-N 340.387 1.179 0 40 EDAB C[C@@H](O)CNC(=O)Nc1cn(-c2ccccc2C(F)(F)F)nn1 585119694 QJAIONPZULOBKU-MRVPVSSYSA-N 329.282 1.788 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(Cc3cc(C)on3)CCN2C)c1 257260960 LFFBFVDEXVNXPK-QGZVFWFLSA-N 328.416 1.831 0 40 EDAB Cc1ccccc1S(=O)(=O)N1CCOC[C@H]1CCc1cnccn1 257235180 GWUHIZCMIHJXPS-MRXNPFEDSA-N 347.440 1.807 0 40 EDAB CNc1cnc(C[C@@H]2CCCN(C(=O)CCn3ccnc3)CC2)cn1 257246843 IWBDVEOGRYQRCS-OAHLLOKOSA-N 342.447 1.976 0 40 EDAB Cc1cccc(C(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)n1 257309382 UASFAIJJBNXGPF-ZIAGYGMSSA-N 325.359 1.306 0 40 EDAB CC(C)c1nnsc1C(=O)N1CCOC[C@H]1CCc1cnccn1 257204205 ATNDVAYKIKASDD-CYBMUJFWSA-N 347.444 1.925 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCc2ccc(Cl)cc2)C1 257280902 OMWAKZLMTJVHIH-CQSZACIVSA-N 337.851 1.409 0 40 EDAB Cc1cc(C(N)=O)nc([C@@]2(C)CCCN2Cc2cnn(C)c2C)n1 257271709 MZLOWPLNTBNULE-QGZVFWFLSA-N 328.420 1.437 0 40 EDAB COc1cc(N2CCN(C(=O)Cc3cc(C)[nH]n3)CC2)ccc1F 283663818 LENGWGFLWSHDTR-UHFFFAOYSA-N 332.379 1.757 0 40 EDAB O=C(c1nnc(NC2CC2)o1)N1CC[C@](O)(c2ccc(F)cc2)C1 1616039890 XVOYWPSLJXTXNE-MRXNPFEDSA-N 332.335 1.517 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)CSC2CCCC2)CC1 96025861 JPKHOAPPUORDJN-UHFFFAOYSA-N 334.507 1.450 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)cn1C 26767903 ULCGWIOIMFKRKS-OAHLLOKOSA-N 347.440 1.911 0 40 EDAB COCCN1CC[C@@]2(CN(Cc3ccccn3)CC(F)(F)C2)C1=O 585093496 ZWQATXNRASNNOV-MRXNPFEDSA-N 339.386 1.788 0 40 EDAB O=C(Cc1ccccc1)N1CC[C@](O)(CNC2CCCC2)[C@@H](O)C1 585285092 VXIYVIMMBYMTPX-HKUYNNGSSA-N 332.444 1.086 0 40 EDAB CO[C@]1(COc2ccccc2)CCN(C(=O)c2cnc(C)nc2O)C1 585277520 WBQYTWKWSHRDGF-GOSISDBHSA-N 343.383 1.801 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCC(=O)N2CCCCC2)C1 71920801 GEXDCIXDNXYMES-CYBMUJFWSA-N 339.436 1.372 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)c1 44943731 SRJCUFGDNWWGFE-GFCCVEGCSA-N 342.399 1.767 0 40 EDAB COc1nccnc1N(C)CC1CCN(S(=O)(=O)C2CC2)CC1 1776009893 XNVQBNBQIZRTOJ-UHFFFAOYSA-N 340.449 1.126 0 40 EDAB CCc1noc(C)c1C(=O)N1CCN(c2nccc(OC)n2)CC1 57253856 LUWXQALKQUGWFG-UHFFFAOYSA-N 331.376 1.306 0 40 EDAB CCOc1ccc(NC(=O)CNC(=O)N[C@@H](C)Cn2ccnc2)cc1 58405035 KOYPGOKZPVFEIU-ZDUSSCGKSA-N 345.403 1.608 0 40 EDAB O=C(O)[C@H]1CN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCO1 583650537 FYJRGSUOPQNHPR-CYBMUJFWSA-N 343.339 1.540 0 40 EDAB C[C@H](NC(=O)c1cccc(CN2CCOCC2)c1)[C@@H]1CCCCN1 583651855 UGUYWYWETADBCY-YJBOKZPZSA-N 331.460 1.779 0 40 EDAB Cc1noc(C)c1COc1cccc(C(=O)NCC(C)(CO)CO)c1 1614998270 MGVFZFYMFSWSCD-UHFFFAOYSA-N 348.399 1.591 0 40 EDAB CN(C)CC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3ccco3)ccc(=O)n1C2 5411394 JGMCYMWXYNQTAE-UONOGXRCSA-N 341.411 1.616 0 40 EDAB biogenic,in-vitro Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCc1ccccc1 12236432 VVIUCRKCOPOHKS-CQSZACIVSA-N 329.425 1.948 0 40 EDAB Cn1c(=O)c2c(NC(=O)c3cccc(F)c3)ccnc2n(C)c1=O 13011006 KAJNDZCTXHPCHN-UHFFFAOYSA-N 328.303 1.024 0 40 EDAB CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16610184 LEOZCORSLNWOKL-SNVBAGLBSA-N 348.852 1.884 0 40 EDAB O=C(OCc1cc(=O)n2ccccc2n1)c1ccccc1NCCO 16620565 BMHBMSGAXFVECV-UHFFFAOYSA-N 339.351 1.456 0 40 EDAB Cn1ccc(C(=O)N2C[C@H]3CCc4nnc(-c5ccccc5)n4[C@H]3C2)n1 19290979 MAYJPCAMEOZSOL-ZBFHGGJFSA-N 348.410 1.938 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)Nc1cccc(-c2ncn(C)n2)c1 161616191 PZTIHJFKWHZRBO-UHFFFAOYSA-N 325.376 1.880 0 40 EDAB CC(C)Sc1ccc(CC(=O)N2CC(N3C(=O)CNC3=O)C2)cc1 244986227 JLIYYIRBCHAELK-UHFFFAOYSA-N 347.440 1.492 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 252478060 ABSKIRDUYHHLDW-MCIONIFRSA-N 329.393 1.749 0 40 EDAB CCOC(=O)N1CCN(Cc2nnnn2-c2ccc(C)cc2)CC1 23233035 ZCRZKBNLPATGED-UHFFFAOYSA-N 330.392 1.245 0 40 EDAB COc1ccc(-n2ccnc2SCC(=O)N2CCOCC2)cc1 5093826 QEWDQBDJYOWHLR-UHFFFAOYSA-N 333.413 1.832 0 40 EDAB NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 18994510 LKDMWHHLSWPXPS-UHFFFAOYSA-N 346.817 1.788 0 40 EDAB COc1ccc(C(C)=O)cc1Cn1nnn(-c2cccs2)c1=O 10812822 UUCXZBXNRSVWDD-UHFFFAOYSA-N 330.369 1.750 0 40 EDAB CN1CCc2nc(NC(=O)[C@@H]3COc4ccccc4O3)sc2C1 23802480 RPDUHVUAHILNML-ZDUSSCGKSA-N 331.397 1.910 0 40 EDAB O=C(CCc1cncnc1)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1076041134 FSNHMUXGQCXPAP-ZWKOTPCHSA-N 337.427 1.537 0 40 EDAB CC(=O)N1N=C(C)C[C@]12CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]12 1565556377 FMSFKMSFTWIAPQ-RYRKJORJSA-N 334.464 1.562 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CCN(c2nccs2)C(=O)C1 1565523304 JXJFWVPKBRMMQV-UHFFFAOYSA-N 345.409 1.637 0 40 EDAB O=C(C1CC(O)C1)N1CCO[C@@H]2C[C@H](COCc3cccnc3)C[C@@H]21 1565554501 SXHWBIGICCQKOY-ZTJXHEDMSA-N 346.427 1.375 0 40 EDAB COC(=O)[C@@H](NC(=O)CSc1nc(C)cc(=O)[nH]1)c1ccccc1 4625315 ZDIQSKPFBCVMMF-AWEZNQCLSA-N 347.396 1.201 0 40 EDAB Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)n[nH]c2=S)c1 5899428 XVAPGVYQKULRIO-UHFFFAOYSA-N 329.385 1.514 0 40 EDAB CC(C)CC(=O)N1CCC[C@](C(=O)NCC2CC2)(n2ccnc2)C1 2055772051 SXIOSIWISVFYCM-SFHVURJKSA-N 332.448 1.773 0 40 EDAB O=S(=O)(CCc1ccccc1)N1CC(n2cc(C3CC3)nn2)C1 585393565 GUCJIIPVQLKGKP-UHFFFAOYSA-N 332.429 1.585 0 40 EDAB COc1ccc(CSC(=S)N[C@H]2CCS(=O)(=O)C2)cc1 4294123 FXRFSNSKARUYAJ-NSHDSACASA-N 331.484 1.990 0 40 EDAB CCOC(=O)CCC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 40090623 IWIGBWXIRXRKST-UHFFFAOYSA-N 348.399 1.970 0 40 EDAB COc1cccc2cc(CNC3CCN(S(C)(=O)=O)CC3)oc12 40091402 CHAQXUUMAHSAIT-UHFFFAOYSA-N 338.429 1.955 0 40 EDAB Cc1[nH]c(C(=O)NCCCn2cncn2)c(C)c1C(=O)OC(C)C 31443185 JJRWYALCLQWYGA-UHFFFAOYSA-N 333.392 1.608 0 40 EDAB CC(=O)N1CCCN(C(=O)CCCc2nc(C(C)(C)C)no2)CC1 40516165 RGMJCOVXUSRSHF-UHFFFAOYSA-N 336.436 1.771 0 40 EDAB CCOc1ccc(N2C[C@H](C(=O)Nc3cnn(C)c3)CC2=O)cc1 40512505 XUPZPODLGIFNKR-GFCCVEGCSA-N 328.372 1.810 0 40 EDAB O=C(NCc1cccnc1N1CCOCC1)c1ccc2c(c1)CCO2 32017871 NNTFPJLDONYFRR-UHFFFAOYSA-N 339.395 1.783 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)CN2CCCCCCC2)cc1 20681802 SKXYYSDMKCOMMY-UHFFFAOYSA-N 339.461 1.216 0 40 EDAB C[C@@H](C(=O)Nc1nc2ccccc2[nH]1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 101841894 SJSOJXVJXWYDPF-SDDRHHMPSA-N 338.367 1.841 0 40 EDAB COc1ccc(-c2noc(CN(C)[C@@H]3CCS(=O)(=O)C3)n2)cc1 32718861 VSEQPYIRTVPKDO-GFCCVEGCSA-N 337.401 1.364 0 40 EDAB NC(=O)c1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc1 32829744 HWENNENKIMOPAO-UHFFFAOYSA-N 328.347 1.282 0 40 EDAB O=C(CCN1C(=O)CCC1=O)Nc1cccc(C(=O)NC2CC2)c1 21669751 CIOFRQSKXIZWTD-UHFFFAOYSA-N 329.356 1.056 0 40 EDAB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(F)c2)c1 102604665 JVJGDQUWIYUOTE-FPCVCCKLSA-N 341.342 1.737 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(C)c1ccc(C)cc12 530645 WAYKJRMBQMQIAH-HNNXBMFYSA-N 332.385 1.127 0 40 EDAB CCOC(=O)C1=NN[C@]2(CC(=O)N(c3c(C)cc(C)cc3C)C2=O)C1 547507 DUTKVEAAERGGEJ-SFHVURJKSA-N 343.383 1.526 0 40 EDAB CN1N=C(c2ccncc2)[C@H](C(=O)c2cn(-c3ccccc3)nn2)C1=O 103608664 VPGXCUYYXJZUBZ-OAHLLOKOSA-N 346.350 1.338 0 40 EDAB CN(C)C[C@@H](CNc1ncnc2c1cnn2C)[C@@H](O)c1ccccc1 42099613 JDYDZIQURNPSND-ZBFHGGJFSA-N 340.431 1.687 0 40 EDAB NC(=O)[C@@H](NC(=O)c1csc(-c2ncccn2)n1)c1ccccc1 54150316 MOPUXMHURKWPJQ-LBPRGKRZSA-N 339.380 1.557 0 40 EDAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)O)cc1)c1ccco1 61720245 FXDRWMOPNDBQQY-CYBMUJFWSA-N 345.355 1.335 0 40 EDAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 798653 QMKHKVZIWIRYHI-UHFFFAOYSA-N 340.445 1.765 0 40 EDAB CCOC(=O)c1nnc(NS(=O)(=O)c2cc(F)cc(F)c2)s1 79105412 GXCPDJZBFXJBMT-UHFFFAOYSA-N 349.340 1.794 0 40 EDAB CC(=O)c1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)cc1 4815624 IDBSMNWITVOZEX-HRCADAONSA-N 329.400 1.617 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2[C@@H](C(N)=O)c2ccc(F)cc2)n1 106664380 OFMXSPDLHLSGEW-HZPDHXFCSA-N 331.395 1.725 0 40 EDAB CC(C)c1nncn1CCNC(=O)c1cnn(-c2ccc(F)cc2)n1 73145989 SAHBBODTGMVUTM-UHFFFAOYSA-N 343.366 1.551 0 40 EDAB C[C@@H](C(=O)NCc1ccco1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102082347 WOQIPDDHNXWATN-SYKZFDGZSA-N 340.379 1.337 0 40 EDAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2nnn(C)n2)c1 8053796 NQXRPKAWTRKKPM-VIFPVBQESA-N 334.405 1.514 0 40 EDAB Cc1nn2cccnc2c1C(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 107509465 JBVRCBPWSHNPHU-HRCADAONSA-N 339.443 1.984 0 40 EDAB COc1ccc(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 35296322 ZRIZQLFLPKLZAO-QGZVFWFLSA-N 339.395 1.546 0 40 EDAB O=C(NCc1ccccn1)c1cccc(NC(=O)c2ccc(=O)[nH]c2)c1 44656871 CHGPSBDQLRQXSX-UHFFFAOYSA-N 348.362 1.952 0 40 EDAB O=C(COc1ccc(F)cc1F)Nc1cccnc1-n1cncn1 58179858 WFFTXTURGHYSTB-UHFFFAOYSA-N 331.282 1.958 0 40 EDAB CC(=O)NC1(c2noc(CCC(=O)NC3CC3)n2)CCCCCC1 55114112 HYBUMMZHMQTKPS-UHFFFAOYSA-N 334.420 1.966 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 58180778 ITPCLZIHQJCHFA-SGTLLEGYSA-N 347.390 1.994 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H](C)C(=O)N1CCCCC1)C2 58294701 HQCLHOMDGRAVNF-DZGCQCFKSA-N 346.427 1.764 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)Nc1cccc(COCCOC(C)C)c1 58283084 RFGUMLPKCDNAQY-CYBMUJFWSA-N 337.420 1.884 0 40 EDAB Cc1cc(S(=O)(=O)NCC(=O)NCC(F)(F)F)ccc1F 105618359 DCHHRMQKTVHRLM-UHFFFAOYSA-N 328.287 1.091 0 40 EDAB COC(=O)c1cn([C@H]2CCCC[C@@H]2OC(=O)c2cnn(C)c2)nn1 58265301 FLHVKGHIHXHILI-STQMWFEESA-N 333.348 1.139 0 40 EDAB O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(-n2cncn2)nc1 44909224 GKKGARPBFWYDDE-UHFFFAOYSA-N 340.318 1.170 0 40 EDAB COc1ccc(-c2noc(CS(=O)(=O)C[C@@H]3CCCO3)n2)cc1 52434928 ORBZHDKHZZRCTJ-ZDUSSCGKSA-N 338.385 1.839 0 40 EDAB O=C1NCCCC[C@@H]1NC(=O)N1CCN(Cc2cccs2)CC1 44968184 IKZJTNGZOLWRIG-AWEZNQCLSA-N 336.461 1.244 0 40 EDAB CN(CC(=O)Nc1cccc2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 44910054 KDMXWBLZKKSNQQ-CQSZACIVSA-N 336.457 1.623 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)Cn1c(=O)n(CC)c2ccccc21 48263496 KSSJHPFFRNCCER-AWEZNQCLSA-N 331.416 1.708 0 40 EDAB Cc1ccc([C@H](O)CNC(=O)NCc2nnc3n2CCCCC3)cc1 48272873 RVJFCBLCCQIODN-OAHLLOKOSA-N 343.431 1.846 0 40 EDAB O=C(NCCc1cc(F)cc(F)c1)c1cccc(-n2cnnn2)c1 58342156 VPLUSLMMLPIWEY-UHFFFAOYSA-N 329.310 1.913 0 40 EDAB COCCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCC4 2205506 BDDLTHYZNQTTPQ-UHFFFAOYSA-N 331.401 1.594 0 40 EDAB O=C(N/C(=C\c1ccco1)C(=O)N1CCOCC1)c1cccs1 2268069 XHWPOIOZJGPSKZ-QBFSEMIESA-N 332.381 1.971 0 40 EDAB O=C1CC(c2c(O)c3ccccc3n(-c3ccccc3)c2=O)=NNC1=O 102219580 IVSYNPWSTRKHPY-UHFFFAOYSA-N 347.330 1.489 0 40 EDAB Cn1cc(NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)cn1 72325811 CNQKTYQPJFKDBS-CYBMUJFWSA-N 327.344 1.539 0 40 EDAB biogenic C[C@H]1CN(CC(=O)Nc2ccccc2N2CCOCC2)[C@H](C)CO1 45784813 QNVSCXVHLGWSBV-CABCVRRESA-N 333.432 1.571 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(CN2CCOC2=O)c1 48343857 CXQMDJOHUCWTEB-SWLSCSKDSA-N 345.399 1.740 0 40 EDAB COCCn1nc(C)c(NC(=O)C(=O)NNc2ccccc2)c1C 95461224 MOLNARUFETXNEU-UHFFFAOYSA-N 331.376 1.228 0 40 EDAB NC(=O)c1ccccc1OCC(=O)NC(=O)NCc1ccccc1 9247992 GPWGHVAVUHEWPA-UHFFFAOYSA-N 327.340 1.190 0 40 EDAB Cc1csc(=O)n1CC(=O)NC[C@@H](c1ccco1)N1CCCC1 9217468 AOUUOINQMAQLMH-ZDUSSCGKSA-N 335.429 1.765 0 40 EDAB COCCNC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O 95474647 GUYNBLRMWWBJIX-UHFFFAOYSA-N 337.379 1.826 0 40 EDAB NC(=O)NC(=O)[C@H](c1ccccc1)N1CCC(c2cn[nH]c2)CC1 97203059 DJXWTUNQQSCWPG-HNNXBMFYSA-N 327.388 1.525 0 40 EDAB COC(=O)c1cccc(NCC(=O)N2CC(=O)Nc3ccccc32)c1 65552610 PYGOWRPEAFYORH-UHFFFAOYSA-N 339.351 1.870 0 40 EDAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 65563614 PNRTYPXXEAYFJI-UHFFFAOYSA-N 330.365 1.988 0 40 EDAB Cn1c(=O)n(CC(=O)NCCOc2ccccc2)c2ccccc21 14111924 PEZWZAUIGKBPDF-UHFFFAOYSA-N 325.368 1.535 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(=O)n2ccsc2n1 14119886 XWLWPHWIJFKCRU-AWEZNQCLSA-N 340.408 1.168 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1C[C@H]2CC[C@H]1C2 110543353 QCMJUUAKWLBGEL-MRBYEJRBSA-N 335.429 1.959 0 40 EDAB O=C1CN(Cc2nc3ccccc3[nH]2)C[C@@H](O)CN1C1CCCCC1 14538503 QACBJKWYPGXTSS-OAHLLOKOSA-N 342.443 1.901 0 40 EDAB Cc1nc(S(=O)(=O)NCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)cn1C 66101651 BGWXIIYZSKPSEO-CHWSQXEVSA-N 342.509 1.763 0 40 EDAB CC1CCN(C(=O)CN(C)C2CCN(C[C@H]3CCOC3)CC2)CC1 72664285 PMTQHYFNKKMGAV-QGZVFWFLSA-N 337.508 1.678 0 40 EDAB CCCC(=O)NCC(=O)N[C@]1(C(=O)OCC)CCc2ccccc21 72871907 AHUQGIOVGUWLDF-GOSISDBHSA-N 332.400 1.424 0 40 EDAB CCN1C(=O)N[C@](C)([C@H]2CCCN(CCc3ccncc3)C2)C1=O 95402634 XSBOCHPPNILASM-MAUKXSAKSA-N 330.432 1.667 0 40 EDAB CCOC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 67471835 ZKQVXEPYKHOKCP-IAGOWNOFSA-N 346.427 1.614 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc(F)c(F)c2)C1 67557235 JGVHYIJHUBKCON-SNVBAGLBSA-N 333.360 1.510 0 40 EDAB CCN(CCO)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 95360848 WDVKHLJROSUMCX-CMDGGOBGSA-N 330.428 1.779 0 40 EDAB C[C@@H](CNC(=O)c1ccc(Br)cc1)N1CCN(C)CC1 71867455 YPFVUTGPMJJTCT-LBPRGKRZSA-N 340.265 1.815 0 40 EDAB Cc1cc(Cl)ccc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 15952028 OAKRWUOGAMYEAV-UHFFFAOYSA-N 329.765 1.134 0 40 EDAB C[C@H]1CN(C[C@H](O)Cn2nc(-c3cccs3)oc2=O)C[C@@H](C)O1 71825084 WMNBUWVSCOUNDL-TUAOUCFPSA-N 339.417 1.035 0 40 EDAB CCO[C@H]1CCCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 71825544 QRYGYIIFJJNLKD-ZDUSSCGKSA-N 329.400 1.883 0 40 EDAB COc1ccc(NC(=O)c2ccc(=O)n(C)c2)c(C(=O)NC2CC2)c1 71883082 DSDXYNJYQMTURI-UHFFFAOYSA-N 341.367 1.538 0 40 EDAB COc1cccc(CN(C)C(=O)CN2CCc3c(ncn3C)C2)c1 71878945 CAOBKOKJYAYJTI-UHFFFAOYSA-N 328.416 1.445 0 40 EDAB CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)NC1CC1 7925863 RQKQREGNOCSUQT-UHFFFAOYSA-N 329.322 1.854 0 40 EDAB CC(=O)Nc1cccc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1 68958151 LPADISNBJHHYGY-KRWDZBQOSA-N 331.416 1.582 0 40 EDAB COc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@](COC(C)=O)(O3)[C@@H]2C1=O 409298215 NWSMLAXGOOACII-LLDVTBCESA-N 343.335 1.071 0 40 EDAB CCc1nc(CCNC(=O)N2CCN(C3CC3)C(=O)C2)sc1C 83820158 SFMRNCMNUSFJNF-UHFFFAOYSA-N 336.461 1.573 0 40 EDAB CON(C)C[C@@H](O)Cn1cc(Nc2nc3cc(C)ccc3o2)cn1 71915183 KBXLIFKKBUHOHP-CYBMUJFWSA-N 331.376 1.930 0 40 EDAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@H](C(N)=O)c1ccccc1 69394421 PKGAUUBJDODXMH-DYVFJYSZSA-N 345.443 1.804 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)NCc1nnc2n1CCC2 69392920 AAFBVRDNQOWPEJ-UHFFFAOYSA-N 327.388 1.895 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)C3(S(C)(=O)=O)CCCC3)C2)c1 69417958 QHQACYCTMLOBIU-CQSZACIVSA-N 339.461 1.712 0 40 EDAB Cc1ccccc1[C@@H]1[C@H](C(=O)O)CCC(=O)N1CCN1CCOCC1 69492964 HGUXBEQHFMGUEZ-SJLPKXTDSA-N 346.427 1.692 0 40 EDAB O=C(NCCNC(=O)c1cc[nH]n1)c1cccc(Br)c1 72060707 SNVMDFWPOMIWJY-UHFFFAOYSA-N 337.177 1.332 0 40 EDAB CCN1CCN(C2CCN(c3nc(C)cc(N(C)C)n3)CC2)C1=O 69528326 HPNWKPCMDCGKFU-UHFFFAOYSA-N 332.452 1.577 0 40 EDAB Cc1cnn(C[C@@H](C)NC[C@H](O)COc2ccc3c(c2)OCO3)c1 69652116 XQNHYVHJMAKATL-KGLIPLIRSA-N 333.388 1.338 0 40 EDAB Cc1ccc(C)c2sc(NC(=O)Cn3ccc(=O)[nH]c3=O)nc12 69615345 CHRUMFISLLWKCS-UHFFFAOYSA-N 330.369 1.402 0 40 EDAB CCOc1ccccc1C(=O)NCC(=O)Nc1ccn(CCOC)n1 69620238 HATSVHHUPXMLOJ-UHFFFAOYSA-N 346.387 1.297 0 40 EDAB Cc1nnc2n1CCN([C@@H](C)C(=O)N1CCc3sccc3C1)C2 69776423 VZYZVDWCXRBSNY-NSHDSACASA-N 331.445 1.437 0 40 EDAB Cc1ccc(C[C@@H]2CCCN2C(=O)Cn2ccc(=O)n(C)c2=O)cc1 69740634 BIGVFISHQHEJTE-INIZCTEOSA-N 341.411 1.089 0 40 EDAB COc1cc(C)c(S(=O)(=O)CC(=O)N(C)C(C)C)cc1OC 69885602 BFQSEWYIVZQPCX-UHFFFAOYSA-N 329.418 1.653 0 40 EDAB COC(=O)c1ccccc1OS(=O)(=O)[C@H]1CCCN(C(C)=O)C1 69952051 YCERXJLWRJSJJI-LBPRGKRZSA-N 341.385 1.193 0 40 EDAB COc1cccc(-c2c[nH]cc2C(=O)N2CCN(C[C@@H](C)O)CC2)c1 69928560 LKNJVZHLBIWXID-CQSZACIVSA-N 343.427 1.829 0 40 EDAB Cc1cccc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)n1 70641456 NTQQOIWZAYXAMF-OAHLLOKOSA-N 325.368 1.756 0 40 EDAB CC(C)(C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)n1cc(Cl)cn1 72269547 DETFFZCINNQNHO-UONOGXRCSA-N 340.855 1.329 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCc2cnc(C(C)C)nc2C1 72268506 CZMRADGFCCSEQI-UHFFFAOYSA-N 342.447 1.947 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)COc3cccc(C(N)=O)c3)C2)no1 72231768 VBILKROSDAECPU-ZDUSSCGKSA-N 344.371 1.262 0 40 EDAB C[C@H](OCc1ccccc1)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269192 BZHJFLNDPJJQCE-SZMVWBNQSA-N 332.444 1.649 0 40 EDAB Cc1cnn(C[C@H]2CN(CC(=O)NCCC3=CCCCC3)CCO2)c1 71186461 SWAAQVHCJHYVJZ-GOSISDBHSA-N 346.475 1.899 0 40 EDAB COc1cc(S(=O)(=O)NCCCn2ccnc2)c(OC)cc1C 9002156 SCPNDGJODKTKIY-UHFFFAOYSA-N 339.417 1.577 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCC(C)C)cc1 408608622 RPNHONFLDHJUMC-UHFFFAOYSA-N 342.461 1.868 0 40 EDAB C[C@@H](NCC(=O)N[C@H]1CCCCNC1=O)c1ccc(F)c(Cl)c1 95984580 MKGBDZPFHWQFDI-YGRLFVJLSA-N 341.814 1.915 0 40 EDAB COc1cccc(CNC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)n1 95977736 SQGYVHNGVNSVHR-NSHDSACASA-N 346.353 1.868 0 40 EDAB CCNS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 95959990 RIBLCXXVRIIAOH-NXEZZACHSA-N 332.372 1.124 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H](O)C2)cc1 89408275 YLMWUOHAIHAYGU-SWLSCSKDSA-N 340.445 1.216 0 40 EDAB CNC(=O)COC1CN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)C1 75094005 DVDLCQDOBOPWSZ-ZDUSSCGKSA-N 344.333 1.696 0 40 EDAB C[C@H](NC[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cnccn1 89550542 LJCHATZFGKSYDB-RDJZCZTQSA-N 340.427 1.770 0 40 EDAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)NCC1CCN(CCO)CC1 75131171 XWBXZWJXELLZHT-NVXWUHKLSA-N 325.497 1.460 0 40 EDAB Cc1cc(C)c2c(OCC(=O)N3C[C@H](C)[C@H](N(C)C)C3)nn(C)c2n1 89600750 YCJRFWQOASJTNG-GXTWGEPZSA-N 345.447 1.372 0 40 EDAB NC(=O)C[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)C1CCOCC1 89762000 APIPXLKUIURIJM-SNVBAGLBSA-N 348.296 1.643 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)c2sccc2-n2cnnn2)C12CCC2 89985794 ZMXBRKKAUKEWIA-VXGBXAGGSA-N 333.417 1.801 0 40 EDAB Cn1cc([C@@](C)(O)CNS(=O)(=O)C2=Cc3ccccc3CC2)cn1 89901300 QKNORBWLROISHN-KRWDZBQOSA-N 347.440 1.534 0 40 EDAB Cc1nnc(CN2CCN(CCO[C@@H]3CCCC[C@H]3C)CC2)n1C 75605795 KOAZTVPBQDHZCB-NVXWUHKLSA-N 335.496 1.836 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)Cc1cnn(-c3ccccc3)c1)CC2 65578021 GHUWLTYYLJYFBT-HNNXBMFYSA-N 336.399 1.446 0 40 EDAB CC(C)Nc1nnccc1C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C 1548647956 ZVDLGFHFFFFBCM-CHWSQXEVSA-N 333.436 1.816 0 40 EDAB CCc1oc(C(=O)N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)cc1C 122235069 WJWKYNAMSFRWJT-HNNXBMFYSA-N 347.459 1.777 0 40 EDAB Cc1cccnc1OC1CCN(c2nc(O)c3cnn(C)c3n2)CC1 521394099 BMMKDQFYFPJCNR-UHFFFAOYSA-N 340.387 1.820 0 40 EDAB C[C@@H](C(=O)N[C@H](CO)Cc1ccc(O)cc1)N1CCc2ccccc21 188375835 HOWVKQBTLHZRJJ-YOEHRIQHSA-N 340.423 1.863 0 40 EDAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OC(C)C)[C@@H]3C1=O 5817429 VTCRUVJPMOKWNC-YYAJDYIMSA-N 343.379 1.933 0 40 EDAB biogenic C[C@@]1(c2[nH]ncc2S(C)(=O)=O)CCCN(C(=O)c2ccncc2)C1 72388762 FGZNSWCMIKLLND-MRXNPFEDSA-N 348.428 1.402 0 40 EDAB CNC(=O)CNC(=O)Nc1cc(Br)c(C)cc1OC 184578376 HZVBETPNSFOIEO-UHFFFAOYSA-N 330.182 1.634 0 40 EDAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)O)cc1 218400048 NMHKLPFJRRCWTJ-JZXOWHBKSA-N 346.404 1.998 0 40 EDAB COC(=O)c1cc(S(=O)(=O)NC2CCN(C)CC2)ccc1C 74966408 HHVNGITVQGKQQZ-UHFFFAOYSA-N 326.418 1.154 0 40 EDAB CCCC(=O)N1CCc2nc([C@H]3CCCN(C(C)=O)C3)ncc2C1 72390903 RZRCYAVUSRMDRR-AWEZNQCLSA-N 330.432 1.887 0 40 EDAB COc1cc(CNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)ccn1 78988611 HUJRGBYFOYOWHI-JTQLQIEISA-N 346.309 1.053 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccnc(Nc2ccccn2)n1 72377819 CDJUHFNZONMIAB-CYBMUJFWSA-N 348.432 1.559 0 40 EDAB C[C@]1(C(=O)NCCCn2cccn2)Oc2ccc(Cl)cc2NC1=O 41548838 BIINUEODLNVBGH-MRXNPFEDSA-N 348.790 1.833 0 40 EDAB CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)CC)cc1 225959202 LBUYKKBNWCILIP-UHFFFAOYSA-N 328.390 1.083 0 40 EDAB COc1ccccc1N1C[C@H](C(=O)Nc2nnn(C)c2C)CC1=O 568731270 QOKCUKZIVDYVEA-LLVKDONJSA-N 329.360 1.124 0 40 EDAB CN(C)c1cnnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 224307938 PBYWBDCLTVTWEK-UHFFFAOYSA-N 329.379 1.644 0 40 EDAB COc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 226859803 PXYCPXGTBYHYME-UHFFFAOYSA-N 332.337 1.380 0 40 EDAB Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1ccnn1C 225596370 DUPWHWWYPBBNLM-OAHLLOKOSA-N 328.372 1.590 0 40 EDAB Cc1csc(C(=O)N2CC(S(=O)(=O)c3nccn3C)C2)c1 225677137 YJCNKSGPXUCMCO-UHFFFAOYSA-N 325.415 1.088 0 40 EDAB O=C(Cc1cccc2ccccc12)N1CC[C@@H](N2C(=O)COC2=O)C1 225702400 AWKQXZXWILFOHU-OAHLLOKOSA-N 338.363 1.962 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC(Nc2ccc(F)cc2)CC1 63584625 HRPJLVFVAUNSOK-LBPRGKRZSA-N 340.420 1.663 0 40 EDAB CN(C[C@@H](O)COCc1ccccc1)C(=O)c1conc1C(C)(C)N 571894311 JPPKOGGRQAYISI-CQSZACIVSA-N 347.415 1.518 0 40 EDAB Cc1nn(C)c2cn([C@@H](C)C(=O)NCCn3cc(Cl)cn3)nc12 40715004 VWTOHKBUYXXLPH-JTQLQIEISA-N 335.799 1.306 0 40 EDAB Cn1c(CN2CCC([C@H](O)c3ccccc3)CC2)cc(=O)n(C)c1=O 40046912 MALNLMYTMVZQQU-GOSISDBHSA-N 343.427 1.030 0 40 EDAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@@H](C)N1CCOC[C@@H]1C 195549458 IWJLATUJWOCIEL-WWGRRREGSA-N 349.479 1.982 0 40 EDAB Cc1occc1-c1nnc(S(=O)(=O)C[C@H]2CCCCO2)n1C 195109689 ZWAXNSRPURSIQQ-LLVKDONJSA-N 325.390 1.726 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@H](O)c2c(F)cccc2F)C1 221335490 MMGORMGZIPUUGB-WDMOLILDSA-N 348.415 1.811 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NC2CCCCCCC2)s1 225051709 REWDPDRYVDZQRS-UHFFFAOYSA-N 332.451 1.888 0 40 EDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCC2CCCCC2)s1 225205965 TVTMZDUNVQLSCG-UHFFFAOYSA-N 346.478 1.991 0 40 EDAB C[C@@H](CO)NS(=O)(=O)Cc1ccc(Cl)cc1Br 96496829 XPERTSVESKQWGJ-ZETCQYMHSA-N 342.642 1.903 0 40 EDAB O=C(c1ncccn1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96220056 TYPDIWLWFVKDAE-GUTXKFCHSA-N 326.356 1.323 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3OCCN(CCN(C)C)[C@@H]3CC2)c(C)o1 96249253 QEWJOMDRUNQROY-QZTJIDSGSA-N 349.475 1.763 0 40 EDAB O=C(c1ccccn1)N1CCOC[C@]2(CC[C@H](CN3CCCC3)O2)C1 96063372 TZPHTPMSNRLDIS-APWZRJJASA-N 345.443 1.568 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCn2cc(Cn3cccn3)nc2C1 96197343 PEAINIVSFDXIHT-UHFFFAOYSA-N 339.374 1.852 0 40 EDAB CN1CCN(C[C@H]2CN(Cc3ccccn3)Cc3nccn3C2)CC1 96067022 QOKIWLZKFCASDS-KRWDZBQOSA-N 340.475 1.158 0 40 EDAB C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cccn2)cc1 96441200 OZFBDVCFJFEJCM-JSGCOSHPSA-N 333.413 1.484 0 40 EDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)c4ccncn4)CC3)O2)n1 96109962 KIWDKEWQFNDFQH-ZDUSSCGKSA-N 329.360 1.695 0 40 EDAB CCc1cc(N[C@@H]2CCc3nnc(C(C)C)n3C2)n2ncnc2n1 95958008 ANTYDXDXPKQTMC-GFCCVEGCSA-N 326.408 1.829 0 40 EDAB O=C(NC[C@@H]1Cn2nnc(-c3ccsc3)c2CO1)N1CCCC1 96100597 NKEXTTJHUZAVEJ-GFCCVEGCSA-N 333.417 1.711 0 40 EDAB Cc1ccc(CN2CC[C@]3(CCC[C@@H](CNS(C)(=O)=O)O3)C2)o1 96208021 YZKFIXBBIVBCEW-GOEBONIOSA-N 342.461 1.651 0 40 EDAB CN(C)c1cccc(CNC(=O)NCc2ccc([S@@](C)=O)cc2)n1 96484601 GMWZAPNZLBYKQT-DEOSSOPVSA-N 346.456 1.884 0 40 EDAB CS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1cccc(N)c1 96519740 YNGDANDCEBZDRA-DTWKUNHWSA-N 328.615 1.634 0 40 EDAB CCOC(=O)[C@]12CCCN(Cc3cnn(C)c3)C[C@H]1CN(C(C)=O)C2 96056002 CWWJTUYMZBIWDX-WMZOPIPTSA-N 348.447 1.044 0 40 EDAB O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2nccs2)C1 96041291 ORIPREDCXKWPBN-YNEHKIRRSA-N 345.428 1.551 0 40 EDAB CO[C@H]1COC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)C1 96158792 AHUMSKSDZMFUMW-CQSZACIVSA-N 325.430 1.954 0 40 EDAB O=C(c1ccncc1)N1CCO[C@@H]2[C@H](CNc3ncccn3)CC[C@H]21 96082563 KXTIJCFUNXUZMD-ARFHVFGLSA-N 339.399 1.603 0 40 EDAB CC(=O)N1CCn2cc(C(=O)NCCc3ccccc3)nc2[C@@H]1C 247966391 XJMJMNFZCCBRRL-ZDUSSCGKSA-N 326.400 1.779 0 40 EDAB C[C@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2C[C@@H](O)CN2C[C@H]1C 248139632 BEERMGACMMQTOF-MUIFIZLQSA-N 332.444 1.733 0 40 EDAB Cc1c[nH]cc1C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 585088025 HJSNZGVNHKVTCJ-UHFFFAOYSA-N 337.420 1.815 0 40 EDAB CCCCN(C)c1ccc(C(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1 585089809 FMWALEILUKYABG-GOSISDBHSA-N 331.460 1.814 0 40 EDAB Cc1c(CNC(=O)[C@H]2CC(C(=O)O)=NN2c2ccccc2)cnn1C 585134321 MZHIRKLMOWJRGK-OAHLLOKOSA-N 341.371 1.064 0 40 EDAB CC[C@@H](OC)C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 585126026 LOMXOBNIOJSZBI-ZLOXQWCVSA-N 341.433 1.765 0 40 EDAB COc1ccc(S(=O)(=O)N(C)[C@H]2CCC(=O)N(C)C2)c(C)c1 585142107 OYRROBUJIVSIIX-LBPRGKRZSA-N 326.418 1.245 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3coc(C)n3)CC2)C[C@@H](O)C1(C)C 257234906 GVNZKPYQLXQVRC-OAHLLOKOSA-N 349.431 1.597 0 40 EDAB Cc1nsc(N2CCCN(c3ccc4nc(C)nn4n3)CC2)n1 252498783 RKYKJYNSJXJRLT-UHFFFAOYSA-N 330.421 1.309 0 40 EDAB Cc1ncc(-c2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)n1C 257313572 UTFUJWYRAATKMC-GFCCVEGCSA-N 335.433 1.325 0 40 EDAB CCS(=O)(=O)CCN1CC2(C[C@H](Oc3ccccn3)CCO2)C1 253494290 WZHCJOGSNVFJFN-CQSZACIVSA-N 340.445 1.129 0 40 EDAB CNC(=O)c1cc(C[C@@H]2CCCN(c3ccccn3)C2)nc(C)n1 257293369 QPEOZFNKDGFFTK-AWEZNQCLSA-N 325.416 1.999 0 40 EDAB Cc1nccc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)n1 257228816 FVJGILBUCSPWSF-FVQBIDKESA-N 328.372 1.271 0 40 EDAB Cc1cc(CC[C@H]2CCCN2C(=O)Cn2nc(C)ccc2=O)ccn1 257230332 GBTWIWSBJVUHDY-QGZVFWFLSA-N 340.427 1.879 0 40 EDAB Nc1nccnc1[C@H]1CN(C(=O)CCc2cccc(F)c2)CCO1 257243988 IJKSLDTVIWYLBJ-CQSZACIVSA-N 330.363 1.731 0 40 EDAB N[C@@H]1C[C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCCCO4)C[C@@H]21 1615546479 LLRRCPVQVKUUNJ-XUWVNRHRSA-N 330.428 1.880 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575404197 MRLLNXNGSINWNM-CYBMUJFWSA-N 328.459 1.760 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3ccccc3)[C@H]2C1 575402465 AQBOSTMVHDQFJI-BMQFZULRSA-N 328.412 1.546 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1S(=O)(=O)c1ccccc1C 585279147 ULHXGMFVUYDHCK-OAHLLOKOSA-N 326.418 1.040 0 40 EDAB Cc1c[nH]cc(C(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)c1=O 679722382 JGCNAMORWXJPMX-GFCCVEGCSA-N 328.372 1.964 0 40 EDAB CC(=O)N1CCN(C(=O)Cc2csc(-c3ccccn3)n2)CC1 30810007 ZGOFMPDBNLMROJ-UHFFFAOYSA-N 330.413 1.438 0 40 EDAB C[C@@H]1C[C@H]1CNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 32386898 MAEDGNFRPKLRME-NEPJUHHUSA-N 335.429 1.353 0 40 EDAB Cn1nc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)ccc1=O 1776008676 LVFRACHEDFFNRM-RYUDHWBXSA-N 347.806 1.639 0 40 EDAB CC(C)NC(=O)Nc1ccc(CNC(=O)c2nccnc2N)cc1 40094813 CWTPFBUEPRIUKF-UHFFFAOYSA-N 328.376 1.519 0 40 EDAB Cn1cnc(CNC(=O)N2CCn3cccc3[C@H]2c2ccccc2)n1 92376831 AJELYYOBKLKKKM-QGZVFWFLSA-N 336.399 1.931 0 40 EDAB NC(=O)C1CCN(C(=O)NCCOc2cccc(Cl)c2)CC1 42948670 UYWFOISIHGHKGL-UHFFFAOYSA-N 325.796 1.626 0 40 EDAB CCn1nc(C)c(C(=O)N2CCC[C@@H](CC(N)=O)CC2)c1Cl 583621348 UHBVBLVOOJTDMP-LLVKDONJSA-N 326.828 1.983 0 40 EDAB Cc1nn(C)c(C)c1-c1ccc(=O)n(CC(=O)NCc2ccco2)n1 12735399 GQKGQFRTOYYEDX-UHFFFAOYSA-N 341.371 1.170 0 40 EDAB COc1cc(C(=O)NC(C)C)c(N(C)S(C)(=O)=O)cc1OC 13582502 JYSFWBNNASJWCH-UHFFFAOYSA-N 330.406 1.238 0 40 EDAB O=C(NCCn1nc([C@@H]2CCNC2)c2nccnc21)[C@H]1CC=CCC1 19404422 POHXILHRTPYKRY-UONOGXRCSA-N 340.431 1.376 0 40 EDAB CCn1cncc1C(=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 19578386 DBWRWMPGNDEIGC-ZDUSSCGKSA-N 341.415 1.426 0 40 EDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[C@H](n2ccnn2)C1 206934834 VLDDZMIZYMQYNE-VIFPVBQESA-N 330.772 1.706 0 40 EDAB COc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1 3649402 XVJVHOIZEWIBHX-LCYFTJDESA-N 325.349 1.967 0 40 EDAB CN(C)C(=O)N1CCC(CNC(=O)COCc2ccccc2)CC1 390830434 LCJLOGDZTYKCFV-UHFFFAOYSA-N 333.432 1.713 0 40 EDAB Cn1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c2ccccc21 5703450 FSHGEVFKJVFBPQ-UHFFFAOYSA-N 331.372 1.959 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NN1C(=O)NC2(CCCCC2)C1=O 6993087 LNYGGOFELGDOPV-GFCCVEGCSA-N 331.372 1.740 0 40 EDAB Cn1c(CSc2nncn2-c2ccccc2F)cc(=O)n(C)c1=O 11396077 ZIAIUXDOTZECTL-UHFFFAOYSA-N 347.375 1.096 0 40 EDAB CCN=c1cc(C)nc(N2CCN(c3ncc(Cl)cn3)CC2)[nH]1 1888843542 RNOUERTWJCVNCE-UHFFFAOYSA-N 333.827 1.409 0 40 EDAB COc1cc(N2CCN(c3cc(C)nc(SC)n3)CC2=O)ccn1 1888866716 USQOOPUONUICIB-UHFFFAOYSA-N 345.428 1.764 0 40 EDAB COc1nc(OC)nc(N2CCC[C@@H](N(C)c3ncc(C)cn3)C2)n1 1888870082 KBQYXGWWAYFVJV-GFCCVEGCSA-N 345.407 1.092 0 40 EDAB CC(C)NC(=O)CN(C)CCC(=O)Nc1ccc2c(c1)OCCO2 24716838 FENMZTSFAYWMAV-UHFFFAOYSA-N 335.404 1.243 0 40 EDAB Cn1nccc1C(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 2037841186 ZJQCCFPNNIQEIR-SFHVURJKSA-N 340.383 1.068 0 40 EDAB Cc1nnc(CNC(=O)[C@@H]2CCCN2c2nc3ccccc3o2)o1 206785006 AJTUMZHQNVZTDN-LBPRGKRZSA-N 327.344 1.804 0 40 EDAB COc1ccccc1OCC(=O)N1CC(Oc2cc(C)oc(=O)c2)C1 206957900 UKFUSDNRLHIIPQ-UHFFFAOYSA-N 345.351 1.625 0 40 EDAB O=C(NCCn1cnc2sccc2c1=O)c1n[nH]c2ccccc12 225810295 FNYHWOHRJUNVPE-UHFFFAOYSA-N 339.380 1.764 0 40 EDAB Cn1c(=O)c2c(Nc3ccc4c(c3)OCCO4)ccnc2n(C)c1=O 12227536 RTRHTUBLLZJNSM-UHFFFAOYSA-N 340.339 1.147 0 40 EDAB O=C(NCC1(OCCO)CCCC1)C(=O)Nc1ccc(F)cc1F 888107180 WCDGOBLXIUNMOG-UHFFFAOYSA-N 342.342 1.341 0 40 EDAB COc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)ccc1OCC(N)=O 40466624 ZOUDMESTNQXSTE-NSHDSACASA-N 332.356 1.952 0 40 EDAB O=C(NCc1ccccc1CN1CCOCC1)Nc1nncs1 40525251 HOVXKZWEEIMUGZ-UHFFFAOYSA-N 333.417 1.692 0 40 EDAB Cc1noc(CS(=O)(=O)CCC(=O)N[C@@H](C)c2ccccc2)n1 40528678 AWXFDNFNWQHFBE-NSHDSACASA-N 337.401 1.560 0 40 EDAB O=C1CN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CCN1 51380072 WPVMAWQPHOCKNB-GOSISDBHSA-N 333.407 1.605 0 40 EDAB Cc1cc(C)n(CCCNC(=O)c2cc3c([nH]c2=O)CCCC3=O)n1 32199426 DBVNOEIXWWVLRJ-UHFFFAOYSA-N 342.399 1.527 0 40 EDAB CN(C)[C@@H](CNc1c(NCc2ccccn2)c(=O)c1=O)c1ccco1 101694458 UQZYTNWGTBIECS-ZDUSSCGKSA-N 340.383 1.598 0 40 EDAB Cc1nn(C)c(C)c1CCNc1c(NCc2ccccn2)c(=O)c1=O 101700275 RQJCUSFQJWOZAA-UHFFFAOYSA-N 339.399 1.295 0 40 EDAB CNC(=O)c1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1 21358188 DXIGMGSXCKTEAF-UHFFFAOYSA-N 332.381 1.702 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 32765518 POAYTQGFHQRDEH-MELADBBJSA-N 332.400 1.684 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 21714386 SWCUDQLUPPZKNJ-KRWDZBQOSA-N 344.436 1.857 0 40 EDAB CN[C@@H]1CCCN(S(=O)(=O)c2ccccc2Br)C1 53202848 MKCXTIADMHXYEI-SNVBAGLBSA-N 333.251 1.822 0 40 EDAB O=C(COc1cc(Cl)ccc1Cl)NCCN1CCOCC1 22690174 LDCAVQAQBQUKOK-UHFFFAOYSA-N 333.215 1.821 0 40 EDAB NC(=O)C1CCN(C(=O)COC(=O)/C=C/c2ccc(F)cc2)CC1 22658964 LEZKJBLLGSIGHB-ZZXKWVIFSA-N 334.347 1.106 0 40 EDAB O=C1CC[C@H](C(=O)NCc2nccn2CCCc2ccccc2)N1 83006505 SVSCONYMUYNTHJ-OAHLLOKOSA-N 326.400 1.411 0 40 EDAB CC(C)(C)C(=O)N[C@@H](n1ccc(=O)[nH]c1=O)C(Cl)(Cl)Cl 238076 DIXGIZRJFYZBRC-ZETCQYMHSA-N 342.610 1.568 0 40 EDAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCS(=O)(=O)CC1 78446752 GHBRTGBJZRUXSZ-ZJUUUORDSA-N 328.356 1.548 0 40 EDAB CCN1C[C@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 78899169 AFVXJRAUEUEEOJ-WCQYABFASA-N 326.418 1.076 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 42513638 UMFUYWNABVYFKO-ZIAGYGMSSA-N 342.399 1.592 0 40 EDAB COCCn1cc(CC(=O)NCCc2c[nH]cn2)c2ccccc21 79192277 WSKDZPCTRAQJMS-UHFFFAOYSA-N 326.400 1.912 0 40 EDAB biogenic Cc1oc2nc(CN3CCN(C(=O)N(C)C)CC3)nc(N)c2c1C 79112216 GLXGNSGBFPGNAG-UHFFFAOYSA-N 332.408 1.221 0 40 EDAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)NCCO)c1 42876110 WNEVNTFZSXXDQA-UHFFFAOYSA-N 343.449 1.448 0 40 EDAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccn(C)n1 24474238 HRWHJLBFVBANNX-HNNXBMFYSA-N 325.372 1.587 0 40 EDAB C[C@H]1CN([C@H](C)CNC(=O)NCc2cccc3c2OCO3)C[C@@H](C)O1 106132974 BNRRBHIMPYRLNO-MCIONIFRSA-N 349.431 1.712 0 40 EDAB C[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCC1 4476418 IMIMTRXPRINBIJ-NSHDSACASA-N 344.367 1.273 0 40 EDAB CNC(=O)c1cccc(NC(=O)Cn2cnc3sccc3c2=O)c1 24839723 YDHOMCADSRWPTK-UHFFFAOYSA-N 342.380 1.456 0 40 EDAB CC(C)OCCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 6307103 DWHJZBZUATVUEO-UHFFFAOYSA-N 346.424 1.523 0 40 EDAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)CCn2cncn2)c1 25581791 ASPZASZYTSICBQ-UHFFFAOYSA-N 328.376 1.006 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCc2cc(F)ccc2Br)C1 56465656 SBEKTCJAXVKXGE-QMMMGPOBSA-N 344.184 1.605 0 40 EDAB Cc1nccn1-c1ncccc1NC(=O)CS(=O)(=O)CC(C)C 57223322 VLJFHEXMNIRFKK-UHFFFAOYSA-N 336.417 1.585 0 40 EDAB O=C1CC[C@H](C(=O)NCc2cccnc2OCC(F)(F)F)CN1 48113502 GGNYGIHECODNHZ-VIFPVBQESA-N 331.294 1.165 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 23176826 CLSRCQSGPVWFRY-LLVKDONJSA-N 334.372 1.116 0 40 EDAB CCN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 57355498 ACLOHSLJPPSPPC-WMZOPIPTSA-N 329.444 1.760 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)Cc1nn(C)c(=O)c2ccccc12 10031771 RXSPVQCZELYDII-HNNXBMFYSA-N 345.399 1.180 0 40 EDAB O=C(c1cnn([C@@H]2CCS(=O)(=O)C2)c1)c1cc(Cl)ccc1O 58157605 OESOEXNKSMKMJI-LLVKDONJSA-N 340.788 1.833 0 40 EDAB CCc1cccc(OC[C@@H](O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1 9254335 OODDJRODUQQROE-CABCVRRESA-N 327.446 1.108 0 40 EDAB CN(CC(=O)NCCS(=O)(=O)c1ccccc1)Cc1ccccc1 58278991 KHDYBXWMQVGQID-UHFFFAOYSA-N 346.452 1.709 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)c1nnc2ccccn12 44948157 WIWKABMJQHMMHW-TXEJJXNPSA-N 336.417 1.293 0 40 EDAB CN(CCc1ccc(Br)cc1)CCN1C(=O)CNC1=O 106861674 VTTMSMGKESRNSH-UHFFFAOYSA-N 340.221 1.475 0 40 EDAB O=C(NCc1ccc(N2CCCCC2)nc1)N[C@H]1CCCCNC1=O 44968054 KWVWCWAWGHFUQO-HNNXBMFYSA-N 345.447 1.540 0 40 EDAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(=O)N1CCCCC1 58378042 CEBQKQSWLJOABW-ZFWWWQNUSA-N 335.448 1.152 0 40 EDAB COC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 28277203 DOMVNSOSQITBQB-VXGBXAGGSA-N 336.388 1.208 0 40 EDAB C[C@H](CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 48311696 CZEZIMNQLBWHMN-HIFRSBDPSA-N 339.461 1.513 0 40 EDAB CCc1cnccc1C(=O)NCCNC(=O)c1n[nH]c2ccccc12 97231093 QJQVZNCQUVYJNS-UHFFFAOYSA-N 337.383 1.680 0 40 EDAB CCCCOC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 11591345 BIBRXRFPRVBMSR-QGZVFWFLSA-N 332.356 1.560 0 40 EDAB Cn1cc(C[C@H]2CCN(C(=O)NCc3cn4ccsc4n3)C2)cn1 84318262 BQAUZESKSQWUMW-GFCCVEGCSA-N 344.444 1.904 0 40 EDAB Cc1cccnc1NC(=O)NCCCCN1CCC(C(N)=O)CC1 46763320 TVFSBVVPLAEEOA-UHFFFAOYSA-N 333.436 1.489 0 40 EDAB Cn1cc(C[C@@H]2CCN(C(=O)NCc3cccc(C(N)=O)c3)C2)cn1 84318244 XSQZBYVWENJJFZ-AWEZNQCLSA-N 341.415 1.293 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(C(=O)C2CC2)CC1 12905006 QVSXJLGNSZBVPY-UHFFFAOYSA-N 330.384 1.081 0 40 EDAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC)C2)cc1 48914034 WFYHARIZOGRQOA-CJNGLKHVSA-N 345.443 1.700 0 40 EDAB O=C(Cc1cn2ccsc2n1)/N=c1/[nH]nc(-c2ccccn2)[nH]1 95952992 HJURKCWQNNAFOF-UHFFFAOYSA-N 325.357 1.179 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(c2cc(OCC3CC3)ccn2)CC1 96006349 OSFBNEKTMGYHJO-INIZCTEOSA-N 331.416 1.698 0 40 EDAB COC(=O)c1c(SCC(=O)Nc2ccc(C)cc2)nc(=O)[nH]c1C 13687134 VRMMQHDQMURNDV-UHFFFAOYSA-N 347.396 1.904 0 40 EDAB COCCNC(=O)c1c(N)oc2ccc(Br)cc2c1=O 5031540 IIBONDLBPOXTTC-UHFFFAOYSA-N 341.161 1.514 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 65423871 PWEAJQUOUACIEE-CHWSQXEVSA-N 343.449 1.324 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 6340712 ICNCQXIQXPSHFL-CVEARBPZSA-N 330.409 1.754 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1occc1CN1CCOCC1 65541697 SATPRJBJKMWCKJ-CQSZACIVSA-N 330.388 1.053 0 40 EDAB CC[C@](C)(NC(=O)Cc1csc(NC(=O)C(C)C)n1)C(=O)OC 65535698 BSCSRVHZSZXNHR-HNNXBMFYSA-N 341.433 1.738 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CSCN1C(=O)C(C)(C)C 65575690 MBPFINSOLIQWJI-LLVKDONJSA-N 343.493 1.307 0 40 EDAB CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)Cc1ccc(OC)cc1 66805887 AEYHAHJUKZIBEZ-ZDUSSCGKSA-N 342.461 1.366 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(F)c(F)c1 4986402 ISFWTVUKGKZASL-UHFFFAOYSA-N 344.339 1.640 0 40 EDAB COc1ccccc1NC(=O)C(=O)NCc1c(C)cc(C)nc1OC 67599614 WLYJLKDEABZBEX-UHFFFAOYSA-N 343.383 1.971 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 7376016 FZNYAMAPZUWYHP-UHFFFAOYSA-N 348.490 1.746 0 40 EDAB COc1ccc(C(N)=O)cc1S(=O)(=O)N(C)Cc1ccccc1 7990560 GGDNDNXCYNUOEI-UHFFFAOYSA-N 334.397 1.615 0 40 EDAB O=C1OCCN1CCN1CCC(c2nc(-c3ccccn3)no2)CC1 69016179 WTGUOLVNRNWTSG-UHFFFAOYSA-N 343.387 1.763 0 40 EDAB O=C(NCc1cn(-c2ccccc2)nn1)N[C@@H]1CCCC[C@H]1CO 95410364 WXVGCDXUDSWNFN-XJKSGUPXSA-N 329.404 1.618 0 40 EDAB CC1CCN(C[C@@H](O)CN[C@H]2CCCN(c3cccnn3)C2)CC1 71876881 VXGVIFHGWRVZIO-IRXDYDNUSA-N 333.480 1.128 0 40 EDAB NS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 69385691 VSGVAMKFSMGCIM-RKDXNWHRSA-N 337.228 1.502 0 40 EDAB CC(=O)N1CCN(C(=O)[C@@H](C(C)C)N2CCc3ccccc3C2)CC1 71826925 CDQKVXIGUDKHRM-LJQANCHMSA-N 343.471 1.760 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1CCCN1CCCS(=O)(=O)N(C)C 71876731 GRITWGCDHXYPLQ-CQSZACIVSA-N 328.482 1.455 0 40 EDAB COC(=O)[C@H](CNC(=O)CCOCC(C)C)Cc1ccc(O)cc1 69455613 CXLIGHGIRCDLPO-HNNXBMFYSA-N 337.416 1.903 0 40 EDAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(N2CCOCC2)nc1 69489635 PDBNSIWWBDHYJS-IRXDYDNUSA-N 344.459 1.617 0 40 EDAB CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)CC)CC2)cc1 69521244 QXOXAIJUURDATN-UHFFFAOYSA-N 341.433 1.585 0 40 EDAB O=C(COc1ccccc1)NCCNc1ccc(-n2cccn2)nn1 19924282 RJENZJZMLWGMOU-UHFFFAOYSA-N 338.371 1.269 0 40 EDAB COCCNC(=O)c1ccc(Cl)c(NC(=O)c2cnccn2)c1 69622919 VWBSSTJCMVDHHK-UHFFFAOYSA-N 334.763 1.759 0 40 EDAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H](OCCO)C1 71909023 GJXWDYXGZPWYDZ-CJNGLKHVSA-N 340.851 1.818 0 40 EDAB CC(C)(C)S(=O)(=O)CCNC(=O)c1cncc(Br)c1 71904040 QRDTYQUEBNLDQI-UHFFFAOYSA-N 349.250 1.787 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1-n1cnnn1 69783683 SBVRXAQPQNOWNM-UHFFFAOYSA-N 337.339 1.663 0 40 EDAB COc1ccc(-c2nc(CNC(=O)c3cccnc3OC)n[nH]2)cc1 69744299 WSPTXQDUUDXFQQ-UHFFFAOYSA-N 339.355 1.814 0 40 EDAB Cc1cc(CN2CCN(c3cc(C(=O)N(C)C)ccn3)CC2)no1 71902368 VKJSQVZBVOWHLH-UHFFFAOYSA-N 329.404 1.402 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](N3CCCC3=O)C2)C1 69893461 DBMFSVQXSCJFRX-ZNMIVQPWSA-N 343.493 1.296 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCCN(c2cccnn2)CC1 69947624 OTGKAJTUAJMFIO-UHFFFAOYSA-N 326.356 1.558 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)c1cc(-c2ccccc2)nc2ncnn12 69929355 IFKAJRDWNUNUAR-LBPRGKRZSA-N 345.428 1.661 0 40 EDAB CNC(=O)Cc1cccc(NC(=O)Cc2ccccc2C(=O)O)c1 70666428 OAMBOZIRFIEMHO-UHFFFAOYSA-N 326.352 1.855 0 40 EDAB biogenic COC(=O)c1cccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 8778133 NSHWDGLPXCDZOJ-BLLLJJGKSA-N 334.397 1.866 0 40 EDAB COc1cc(SC)ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O 8756617 XMWBDZWGWIFAIM-SNVBAGLBSA-N 327.358 1.465 0 40 EDAB COc1ccc(C(=O)NC(=O)COC(=O)c2ccc(C)c(O)c2)cc1 8705939 LXJYFGSNHMGGLC-UHFFFAOYSA-N 343.335 1.823 0 40 EDAB c1ccc(-n2nnnc2N2CCN(c3ccc4nccn4n3)CC2)cc1 95431638 MMKQZXMENMGQOY-UHFFFAOYSA-N 347.386 1.032 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)C1 84136514 VCUVDAQBNFJZBG-NWDGAFQWSA-N 333.392 1.401 0 40 EDAB CNC(=O)Cn1cnc(NC(=O)c2ccc(-c3ccccc3)o2)n1 97085687 LTPNFWFVQIEPLA-UHFFFAOYSA-N 325.328 1.536 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 72234636 GTRFQOMUSNOUFR-AWEZNQCLSA-N 343.431 1.552 0 40 EDAB Cn1c(CO)cnc1S(=O)(=O)Cc1cn2cc(Cl)ccc2n1 95988622 NAVQLUHTVTTXDK-UHFFFAOYSA-N 340.792 1.187 0 40 EDAB CN1C(=O)CC[C@H](C(=O)OCc2cncs2)[C@H]1c1cnn(C)c1 95997324 GREDJIMAQMQURM-GXTWGEPZSA-N 334.401 1.530 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N2CCCN(C[C@@H]3CCCO3)CC2)C1 89929817 GXISXTHTXXJYMV-CVEARBPZSA-N 345.509 1.150 0 40 EDAB C[C@H](Cc1ccccc1F)NC(=O)NC[C@@](C)(O)c1cnn(C)c1 89904225 LAMXPCNIEMGXER-SJKOYZFVSA-N 334.395 1.697 0 40 EDAB COc1ccc(CCC(=O)N2CCN(CCO)CC2)cc1Cl 75572179 INPOYJNGRCJBIL-UHFFFAOYSA-N 326.824 1.418 0 40 EDAB CN(C)S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 408721622 KCYCCLDWMCISMF-UHFFFAOYSA-N 330.365 1.738 0 40 EDAB Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2cn3ccnc3s2)cn1 545989652 BMZSQTBXVYUGPK-QVQLBTGDSA-N 349.441 1.075 0 40 EDAB CCCCOc1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 409262596 JAOQNMFLCPKHTB-UHFFFAOYSA-N 349.431 1.252 0 40 EDAB CC1=C(C)C[C@@H](C(=O)NS(=O)(=O)c2ccc3nn[nH]c3c2)CC1 408497437 JHYDKFDSJQSAJL-NSHDSACASA-N 334.401 1.899 0 40 EDAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)(C)C 217435763 YSZRRYQEDDZOLU-JTQLQIEISA-N 344.433 1.908 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)Cc3ccoc3)CC2)cc1 124455519 SFIYANLIEHYMSP-UHFFFAOYSA-N 328.368 1.815 0 40 EDAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCOC 217524261 JLIDCDBJEPLWNJ-LLVKDONJSA-N 344.433 1.910 0 40 EDAB N[C@]1(CO)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218159435 BQBRZHSUXSBZFO-IXDOHACOSA-N 347.392 1.045 0 40 EDAB Cc1ccn(Cc2nc(-c3cnc(OCC(F)F)cn3)no2)c(=O)c1 225755496 ZINOWPGQPXCOFC-UHFFFAOYSA-N 349.297 1.689 0 40 EDAB O=C(CCc1cccnc1)NCC1CCN(C(=O)C(F)(F)F)CC1 81463119 PVTVXWZEBJVTDH-UHFFFAOYSA-N 343.349 1.931 0 40 EDAB C[C@H]1CN(c2ccnc(C(=O)NCCn3cccn3)c2)C[C@H](C)O1 194486454 KCHOCMMMMWWSTL-KBPBESRZSA-N 329.404 1.322 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)Nc1cnc(N2CCOCC2)nc1 224250016 RWXGTVYBKUYLCV-ZDUSSCGKSA-N 328.372 1.719 0 40 EDAB O=C(NCc1cn(-c2ccccc2)nn1)[C@@H]1NCCc2ccccc21 195543702 LVCMPRNQIOHAJK-GOSISDBHSA-N 333.395 1.771 0 40 EDAB Cc1cc(C)c2c(=O)ccn(CC(=O)N3CCC(C(N)=O)CC3)c2c1 225756697 CXKQXXXBJFSUOY-UHFFFAOYSA-N 341.411 1.342 0 40 EDAB Cc1ccc(-c2nnn(CC(=O)NC[C@@](C)(O)c3ccco3)n2)cc1 81836130 FYCGNYLKBXIYGT-QGZVFWFLSA-N 341.371 1.265 0 40 EDAB Cc1noc([C@@H]2CN(Cc3nnc(C4CC4)n3C3CC3)CCN2C)n1 577083690 CZEARWPWLCDDQR-AWEZNQCLSA-N 343.435 1.671 0 40 EDAB O=C(c1ccnnc1)N1C[C@@H]2CCCO[C@@H]2[C@H](Nc2ccccn2)C1 97953504 AMRYTEDLPIBOAU-UXLLHSPISA-N 339.399 1.603 0 40 EDAB CN(C)S(=O)(=O)CC(=O)NCC1(c2ccccc2Cl)CCC1 97372583 WDJRAOXLRYMGFU-UHFFFAOYSA-N 344.864 1.769 0 40 EDAB C[C@H](CNC(=O)c1cn(-c2cccc(Cl)c2F)nn1)[S@](C)=O 96494180 VUXYPOBWHYTNLI-CWMRNNLJSA-N 344.799 1.557 0 40 EDAB CC1(C)COCCN1C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 96443106 ZAHWWIFKHMUVOE-KRWDZBQOSA-N 332.444 1.915 0 40 EDAB CN(C)C(=O)COC[C@H]1CC[C@H]2[C@H](CCN2Cc2ccsc2)O1 96064774 WDINDWQBAADGLD-PMPSAXMXSA-N 338.473 1.975 0 40 EDAB Cc1oncc1C(=O)N1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 96042515 MXWPXZABFZIPGM-ZACQAIPSSA-N 343.383 1.967 0 40 EDAB CS(=O)(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1N 95932356 USIARHPXELEBFS-UHFFFAOYSA-N 345.468 1.995 0 40 EDAB CCC[C@H](C)NC(=O)[C@H]1CCCN(CCNC(=O)NC(C)C)C1 581008424 HTEGNZRDDSWFRE-GJZGRUSLSA-N 326.485 1.711 0 40 EDAB CCO[C@@H]1C[C@H](N(C)C(=O)Cn2nc(C)ccc2=O)C12CCCC2 96419203 GLCJFRHGPURYNY-LSDHHAIUSA-N 333.432 1.748 0 40 EDAB COc1ncccc1CN1CC[C@H]2[C@H]1CCN2Cc1cnn(C)c1 96184603 LEXFVEAANCCNFS-DLBZAZTESA-N 327.432 1.673 0 40 EDAB Cc1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)c(O)c1 585089603 ASUIEPSUKNCPEN-QGZVFWFLSA-N 337.383 1.945 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCN(C)[C@@H]3C)CC2)c1 585089692 JAGZEPLIDWOUPE-RHSMWYFYSA-N 345.443 1.320 0 40 EDAB CO[C@@](C)(C(=O)N1CC(N2CCN(C)CC2)C1)c1ccccc1F 585085737 JLIHQJSIIXNDHY-GOSISDBHSA-N 335.423 1.146 0 40 EDAB COC1(OC)CC(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C1 585088199 ORZZDHMLDYKOAR-UHFFFAOYSA-N 348.443 1.982 0 40 EDAB CCn1ccc(C(=O)N2CCC3(CC2)[C@H](O)C[C@]3(C)OC)cc1=O 91444756 PELIQEUZIOQVMB-PBHICJAKSA-N 334.416 1.260 0 40 EDAB CNC(=O)c1cccc(N2CCN(C(=O)c3ccc(C)o3)CC2)n1 96429354 ZRPUSYLKSCFFAC-UHFFFAOYSA-N 328.372 1.305 0 40 EDAB COCCOc1ccc(NC(=O)[C@]2(C)CCNC2=O)cc1Cl 585131664 CFKKGXZNJJTJHN-OAHLLOKOSA-N 326.780 1.830 0 40 EDAB COC(=O)[C@H]1CC12CCN(S(=O)(=O)C[C@H](OC)C1CCC1)CC2 585115810 UJBWRPOWLYFXQX-KGLIPLIRSA-N 345.461 1.406 0 40 EDAB Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)c2cc(C)[nH]c2C)C3)n1 96038752 LHFSHUKHPIWTRW-RHSMWYFYSA-N 330.388 1.896 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cn1c(=O)cnc3ccccc31)C2 97198264 QBNCCENAQWXBEY-CYBMUJFWSA-N 337.383 1.033 0 40 EDAB c1ccc(CN2CCOC[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 96229305 LAVIMPMMTRTNID-IBGZPJMESA-N 339.443 1.991 0 40 EDAB COCC(=O)N1CC[C@]2(CCN(Cc3cccc(OC)c3)C2=O)C1 96050693 IZHZVFIEBSZIHV-GOSISDBHSA-N 332.400 1.293 0 40 EDAB Cc1nc(CN2CCO[C@@H]3CN(C(=O)CC4CC4)C[C@@H]3C2)cs1 96108147 DJEJKLMTYDKHLE-GOEBONIOSA-N 335.473 1.911 0 40 EDAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2cc(-c3ccccc3F)n[nH]2)[C@H]1O 257340041 ZEGKQVZVOPPLLD-BZUAXINKSA-N 333.363 1.826 0 40 EDAB C[C@@]1(C(N)=O)CN(C(=O)c2ccc(Cc3ccccc3)nc2)CCO1 257219718 DHWGCVKJESWXNH-IBGZPJMESA-N 339.395 1.389 0 40 EDAB CN(CC(=O)N1CCNC1=O)Cc1ccc(Br)s1 52710218 YGSUSEKVHBOLLA-UHFFFAOYSA-N 332.223 1.494 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)Cc2csc(C)n2)CCO1 257334376 YFQFUAVYXBCICZ-LBPRGKRZSA-N 333.417 1.426 0 40 EDAB CC(=O)N[C@H]1CCOC2(CCN(c3nccn4cccc34)CC2)C1 257279203 OFNHLZGMNAXTRL-HNNXBMFYSA-N 328.416 1.988 0 40 EDAB Cc1ncoc1C(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257225475 FGIYGUHIOAAYDM-UHFFFAOYSA-N 327.344 1.751 0 40 EDAB COCCOc1ccc(NC(=O)N[C@@H]2C(=O)NCC[C@H]2C)cc1F 282836299 VXIBFHHOMYCHIE-YGRLFVJLSA-N 339.367 1.497 0 40 EDAB COCCn1c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc2ccccc21 1615056465 MRQDKXGNDLLWAU-IRXDYDNUSA-N 331.416 1.035 0 40 EDAB COc1ccc2ccccc2c1CCNC(=O)C1CN(C(C)=O)C1 1615039072 LAEDGOHBLSWKCQ-UHFFFAOYSA-N 326.396 1.985 0 40 EDAB COc1cc(C(=O)NCc2ncccc2C)c(N)c(OC)c1OC 1615055759 CYFHKIYZZSPBHQ-UHFFFAOYSA-N 331.372 1.928 0 40 EDAB Cc1csc(CN(C[C@@H]2CCCO2)C(=O)c2cnc(C)nc2N)n1 1615557176 JSWWUUGXEYUVGF-LBPRGKRZSA-N 347.444 1.954 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 1615606185 RJVMBGRPJFVBMT-HZSPNIEDSA-N 343.832 1.721 0 40 EDAB COc1cccc2cc(C(=O)NC[C@@H](O)Cn3ccccc3=O)oc12 96124322 DGEGZFKIOPTGRE-CYBMUJFWSA-N 342.351 1.394 0 40 EDAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)N1CCNC1=O 96098363 IPEMIRDNHIDLTQ-UHFFFAOYSA-N 338.389 1.092 0 40 EDAB Cc1nc(C(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)cs1 390826587 NPRHUVZBNARPIR-UHFFFAOYSA-N 338.414 1.835 0 40 EDAB CN(C(c1ccccc1)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575419530 CLSJWHUXBNNPBD-SJORKVTESA-N 331.437 1.866 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1 575403626 IETAAWJAZVQARE-CVEARBPZSA-N 332.400 1.395 0 40 EDAB C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1ccc(Oc2ccccc2)cc1 585294896 LFLFYRWGLGOOBG-NUDXDXSLSA-N 329.396 1.766 0 40 EDAB CC(C)S(=O)(=O)N1Cc2ccnn2[C@H](CN2CCCCC2)C1 585095473 ZAVPPHLHVFMBLG-OAHLLOKOSA-N 326.466 1.464 0 40 EDAB COC(=O)c1cc(=O)n(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cn1 585140773 KVFRGNFRRJEFJO-JSGCOSHPSA-N 333.388 1.211 0 40 EDAB Cc1nnc2n1CCN(C(=O)Cc1coc(-c3cccs3)n1)C2 69456815 HTEDHEXCGVGMRR-UHFFFAOYSA-N 329.385 1.888 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)C[C@H]1COc2ccccc2O1 69414367 TZNDQFZTRYLXQO-KKUMJFAQSA-N 335.400 1.869 0 40 EDAB CC(C)n1c(SCC(=O)NC[C@@H]2CCCO2)nnc1N(C)C 69559270 VCFVZDQXIPOCLL-NSHDSACASA-N 327.454 1.312 0 40 EDAB COC(=O)N1CCC[C@H](NC(=O)Nc2nnc(C(F)F)s2)C1 71854940 APHMJJYPOGMPQA-LURJTMIESA-N 335.336 1.828 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccccc2-n2cccn2)CC1 71837330 CCNVOVGICDXHCS-UHFFFAOYSA-N 327.388 1.279 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)[C@@H]5CC5(C)C)C[C@H]4C3)ncnc21 1065995806 SAZYUTGGTAVUIA-XQQFMLRXSA-N 340.431 1.304 0 40 EDAB Cc1cnc(C(=O)N2CCC(COc3ccc(C)nn3)CC2)cn1 1776000923 QBUIQPQLHJCWRR-UHFFFAOYSA-N 327.388 1.815 0 40 EDAB O=S(=O)(NCC1(CO)CC1)c1ccc(OC(F)(F)F)cc1 49030163 VEVSUYZVIUJMNW-UHFFFAOYSA-N 325.308 1.636 0 40 EDAB CC[C@](C)(NC(=O)CCc1nc(-c2cccnc2)no1)C(=O)OC 58268519 DMULDQMSLZVGIE-INIZCTEOSA-N 332.360 1.522 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)on1 40475629 SIFYJJAEBVRXDS-INIZCTEOSA-N 341.411 1.879 0 40 EDAB Cn1nc(C(=O)N2CCC(c3nnc(C4CC4)o3)CC2)ccc1=O 38518642 SFUOYYMUXMYLGE-UHFFFAOYSA-N 329.360 1.061 0 40 EDAB NC(=O)[C@@H](NC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccccc1 75124882 HLNACPQNNICROC-HNNXBMFYSA-N 337.335 1.591 0 40 EDAB O=C(NCC1(O)CCCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 75209655 NIXLTKYYRYYQDX-KRWDZBQOSA-N 332.444 1.699 0 40 EDAB CCC(=O)N1CC[C@@H](NCc2ccc(OCC(N)=O)cc2)[C@@H](C)C1 76057310 ARWFYFSPKXHOJN-XJKSGUPXSA-N 333.432 1.287 0 40 EDAB C[C@H](NC(=O)COC1CCCC1)c1ccc(S(N)(=O)=O)cc1 40553250 VBTUKZUDLLWNCH-NSHDSACASA-N 326.418 1.470 0 40 EDAB Cc1noc([C@H](C)NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)n1 95951124 AVKNZCXTNMCBCH-VIFPVBQESA-N 329.360 1.748 0 40 EDAB CCCCOCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O 5420393 JZQAATFGYHNFSY-CQSZACIVSA-N 329.418 1.418 0 40 EDAB CCOC(=O)[C@H]1[C@@H](c2cccnc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859210 YTSGNODLZUAUKG-BREBYQMCSA-N 347.293 1.208 0 40 EDAB COc1cccc(C2(O)CCN(CCNC(=O)[C@H]3CCCO3)CC2)c1 12291020 LECZTXZEYLKUHU-QGZVFWFLSA-N 348.443 1.274 0 40 EDAB COc1ccc(NC(=O)Cn2c(=O)n(C(C)C)c3ncccc32)cn1 19454699 HILSKKGVXSNLGD-UHFFFAOYSA-N 341.371 1.821 0 40 EDAB Cc1oncc1C(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225602891 GRPJPSZUHBPIFX-UHFFFAOYSA-N 343.387 1.114 0 40 EDAB CCCC(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23232476 VKYKGXKYALHNTJ-UHFFFAOYSA-N 332.383 1.246 0 40 EDAB CCC(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 6459632 GZXVAXAZPVRGRU-MDWZMJQESA-N 348.380 1.978 0 40 EDAB CN([C@H]1CCN(c2ncccn2)C1)S(=O)(=O)Cc1ccccc1 1888869746 DBEHBMUXPLZOAN-HNNXBMFYSA-N 332.429 1.517 0 40 EDAB COC(=O)CNC(=O)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 238938088 VSVKZTUJCSMCRT-GFCCVEGCSA-N 330.344 1.409 0 40 EDAB Cn1ccc2cc([C@@H](O)CNC(=O)C(=O)NC3CCCC3)ccc21 252489705 JXSXIOQCRCQVQP-INIZCTEOSA-N 329.400 1.387 0 40 EDAB Cc1cc2c(N3CCN(c4nccn5c(C)nnc45)CC3)nccn2n1 585149422 QZASHXDPTPAFQH-UHFFFAOYSA-N 349.402 1.110 0 40 EDAB O=C(NCCn1nc2c(cc1=O)CCC2)Nc1ccc2c(c1)OCO2 585150280 JCMHLURCFBSCRS-UHFFFAOYSA-N 342.355 1.282 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C2CCOCC2)CC1 81032608 GMTIYRVQTKWAAI-DUXPYHPUSA-N 344.411 1.752 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NCc2ccccc2Cn2cncn2)C1 40086271 ZXLCWOUIQAVZHZ-AWEZNQCLSA-N 349.460 1.393 0 40 EDAB COc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1 30584128 XVGWAVFNOWLYCC-CYBMUJFWSA-N 326.418 1.239 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(-n2cnnn2)cc1 40113231 NLCWILBEFXHARR-CZUORRHYSA-N 329.404 1.987 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)NCCNc3cnccn3)CC2=O)cc1 31599286 WFCWLYAWVCFSNE-CQSZACIVSA-N 339.399 1.366 0 40 EDAB COc1cccc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)c1 40488264 GBPYNQBVIWCYER-OAHLLOKOSA-N 326.418 1.409 0 40 EDAB CC[C@@H](C)N1CC(=O)N(c2cccc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773611 AKJYQGZRJMFUJR-VNQPRFMTSA-N 336.457 1.608 0 40 EDAB Cc1noc(C)c1CCC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 31718403 AHMCZDNNQQZQRS-UHFFFAOYSA-N 343.387 1.194 0 40 EDAB CC[C@@H]1CCc2nc(NC(=O)Cn3ccc(=O)n(C)c3=O)sc2C1 40554006 MXRCFSNRKFTANK-SNVBAGLBSA-N 348.428 1.157 0 40 EDAB COC(=O)c1c(SCC(=O)c2cc(C)n(C)c2C)nc(=O)[nH]c1C 32747191 AFMBXAACZBRBKV-UHFFFAOYSA-N 349.412 1.795 0 40 EDAB Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)N1CCO[C@H](C)C1 32865182 OOPHIADLJKJVPD-CYBMUJFWSA-N 340.445 1.543 0 40 EDAB Cc1cccc(N2CCN(Cc3oc(CO)cc(=O)c3O)CC2)c1C 52521533 UIVOODSGJGUJCE-UHFFFAOYSA-N 344.411 1.777 0 40 EDAB O=C(c1cnccn1)N1CCN(c2ccc(Br)cn2)CC1 32914657 YTQKGHPWVVQWNL-UHFFFAOYSA-N 348.204 1.597 0 40 EDAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(C[C@@H](O)COC2CCCCC2)C1 489206 DXUPJBKWHBRLDL-BRWVUGGUSA-N 346.471 1.978 0 40 EDAB biogenic Cc1ccc([C@H](O)CNC(=O)Cn2c(=O)n(C)c3ccccc32)cc1 41456900 XJHRQPRIWSVQBQ-QGZVFWFLSA-N 339.395 1.498 0 40 EDAB C[C@@H]1CCCN(CCCNC(=O)CNC(=O)Cc2cccc(F)c2)C1 53154584 LFTVIYAACJKKJF-OAHLLOKOSA-N 349.450 1.723 0 40 EDAB COC(=O)[C@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 540183 IUXGCHSPWYGZHP-NSHDSACASA-N 325.796 1.733 0 40 EDAB O=C1NC(=O)C(C(=O)[C@H](Oc2ccccc2)c2ccccc2)C(=O)N1 103501973 QLSXHLLSSXHCCR-OAHLLOKOSA-N 338.319 1.358 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCCOc2ccc(F)cc21 54540286 DDYFZKUPEIYZSY-WCQYABFASA-N 342.392 1.526 0 40 EDAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCNC(=O)C3)c2C)cc1 23787335 KGDQYKBMZRMGJD-UHFFFAOYSA-N 326.400 1.429 0 40 EDAB CCc1ccc([C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)C)cc1 23767833 IKTNKUBKAQORGX-QGZVFWFLSA-N 329.400 1.613 0 40 EDAB C[C@@H](CNS(=O)(=O)N1CCC[C@@H](C)C1)N1C[C@@H](C)O[C@H](C)C1 105574046 RZCVTPDDBAYFQV-LXTVHRRPSA-N 333.498 1.050 0 40 EDAB c1nc(NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c2sccc2n1 24204570 BFPKRPHIJQQFBT-OCCSQVGLSA-N 334.445 1.841 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cnn(C)c1 78941321 WIOFTBQWBKWMAF-CJNGLKHVSA-N 341.415 1.581 0 40 EDAB Cc1cc(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)[nH]n1 79013430 OUNDXQPXBZCQAX-UHFFFAOYSA-N 344.390 1.774 0 40 EDAB Cn1cnc(CCNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1 79070274 WTUSKTCCJUVTCK-UHFFFAOYSA-N 336.779 1.141 0 40 EDAB O=C(NCCn1cnc2ccccc21)[C@H](c1ccccc1)n1cnnn1 79494562 MRENYUPSTNCTGT-KRWDZBQOSA-N 347.382 1.429 0 40 EDAB C[C@H]1CCCCN1[C@H](C)CNS(=O)(=O)c1ccc(C(N)=O)cc1 106068941 RKACINUVFZVWKE-QWHCGFSZSA-N 339.461 1.327 0 40 EDAB Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(CC(C)C)nc32)c1 4175913 NCUFWVUXMAJSJT-UHFFFAOYSA-N 325.372 1.715 0 40 EDAB aggregator COc1ccc(OC)c([C@H](O)CNC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 106565407 YWCFFJPNHXUMHG-GLQYFDAESA-N 338.404 1.604 0 40 EDAB Cn1cc(N2CCC[C@H](NC(=O)c3ccc4c(c3)ncn4C)C2)cn1 84318604 DKEUVYROWYFFQF-AWEZNQCLSA-N 338.415 1.706 0 40 EDAB COc1ccc(-c2cnc(CN[C@@H](CO)c3cnn(C)c3)o2)cc1 95941430 NMFSPVXZRWVXSO-HNNXBMFYSA-N 328.372 1.907 0 40 EDAB Cc1nn2c(=O)cc(COC(=O)COc3ccccc3C)nc2s1 8605522 JSFMLTHDJYOMPW-UHFFFAOYSA-N 345.380 1.890 0 40 EDAB C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)n1cccn1 44669254 FCHIUDUHRRPLLP-WMLDXEAASA-N 346.406 1.773 0 40 EDAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)cc1Cl 100377259 VJIOWASHDGHHIE-MGBSGCIJSA-N 333.771 1.844 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 100634643 CCSGGTFSSREGNN-QDEZUTFSSA-N 333.409 1.982 0 40 EDAB CC(C)N(C)S(=O)(=O)NC[C@@H](c1ccccc1)N1CCCC1 58184273 NBAONNTYPCACCE-INIZCTEOSA-N 325.478 1.998 0 40 EDAB O=C(c1ccoc1)N1CCC(NC[C@H]2CNc3ccnn3C2)CC1 58299043 SYMRZCHWHPVHDK-ZDUSSCGKSA-N 329.404 1.412 0 40 EDAB CN(C)S(=O)(=O)c1cccc(COC(=O)c2cccnc2N)c1 25784887 UGLMJTVAQPLHGB-UHFFFAOYSA-N 335.385 1.271 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)NCCc2ccc(N(C)C)cc2)C1 58293550 BGACNWWFQAPOPT-CQSZACIVSA-N 325.478 1.861 0 40 EDAB CN(C)c1ccc(CNC(=O)N2CCN(C[C@@H]3CCCO3)CC2)cn1 58248314 IGVJMGKEODOYEZ-INIZCTEOSA-N 347.463 1.154 0 40 EDAB NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccccc2F)c1 58282838 QJVNJZRWDMROQP-UHFFFAOYSA-N 344.389 1.415 0 40 EDAB CN(C)C1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 44934978 PWKRRLRGWJPXPW-INIZCTEOSA-N 328.420 1.010 0 40 EDAB COCCN(C)CCCNC(=O)[C@@H](C)Oc1ccc(F)c(F)c1 58393276 SORQSKRTNVNWAD-GFCCVEGCSA-N 330.375 1.817 0 40 EDAB CCOC(=O)C(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)OCC 58364629 QLGIIJBJHLBJFO-UHFFFAOYSA-N 337.416 1.670 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccccc1OC(F)F 58300124 XTFZKQSTENZNQE-UHFFFAOYSA-N 336.360 1.435 0 40 EDAB COCCN1CCC[C@@H]1CNC(=O)/C=C/c1ccc(OC)cc1OC 58430999 ZOLHVBWUGINKTG-MNDMWVCDSA-N 348.443 1.944 0 40 EDAB Cc1cc(C)n(C[C@@H](C)NCc2c(C)nn(C)c2N2CCOCC2)n1 58404221 JMEKZBVXHJDMPA-CQSZACIVSA-N 346.479 1.557 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)NC(=O)CSc2n[nH]c(N)n2)[C@@H]1C 10716114 CGIDJJLECSUXLM-HLTSFMKQSA-N 326.426 1.130 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(C[C@@H](O)c3ccccc3Cl)C2=O)cn1 102706105 WUQFBTMZAHOHDR-IUODEOHRSA-N 347.802 1.725 0 40 EDAB CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5O)N3[C@@H]1O 100762487 CJDRUOGAGYHKKD-KVDHXNNWSA-N 326.440 1.555 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1coc(-c2ccccc2)n1 58173046 VGRWWZCKTFHOPW-AWEZNQCLSA-N 329.356 1.205 0 40 EDAB O=C(NCc1ccc(-n2cccn2)cc1)N[C@H]1CCCCNC1=O 45666662 LCJCVYZJKHXMLL-HNNXBMFYSA-N 327.388 1.340 0 40 EDAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102081325 HWYZOLTUJQNTFA-GBALJZQLSA-N 336.391 1.987 0 40 EDAB C[C@H](NC(=O)N(C[C@@H]1CCCO1)C[C@H]1CCCO1)c1nncn1C 46962815 PYDSSECOLZUHSF-MELADBBJSA-N 337.424 1.246 0 40 EDAB CC[C@H](NC(=O)[C@@H]1CCOC1)[C@@H]1CN(Cc2ccccc2)CCO1 95415797 SSUURTWVCQFRBI-SQNIBIBYSA-N 332.444 1.819 0 40 EDAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(F)c2)c1 102014993 JVJGDQUWIYUOTE-VGWMRTNUSA-N 341.342 1.737 0 40 EDAB Cc1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1ccccc1 12608061 JJWFFBBEVATBNY-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB NC(=O)[C@H](OC(=O)Cn1c(=O)oc2ccccc21)c1ccccc1 48263052 BMEHGQFCFWCRFV-OAHLLOKOSA-N 326.308 1.364 0 40 EDAB C[C@H]1OCC[C@@H]1C(=O)NCC(=O)Nc1ccccc1Br 95983247 MXPJDIUGVWQPRT-ZJUUUORDSA-N 341.205 1.929 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCc1ccccc1F 25928004 XNORRRAHWRTXBJ-AWEZNQCLSA-N 328.409 1.299 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)NCc2nnc3n2CCC3)n1 48373169 DKSPLKWFANAYNF-LLVKDONJSA-N 331.424 1.173 0 40 EDAB CC(C)C[C@H](NC(=O)[C@@H](NCCN)C(C)C)C(=O)Nc1ccccc1 22028907 UABCFHFXPFDWCS-IRXDYDNUSA-N 348.491 1.729 0 40 EDAB CC1CCN(C(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)CC1 3596836 IJZFGFRSCZLKMA-INIZCTEOSA-N 343.427 1.798 0 40 EDAB Cn1cnc(CNC(=O)CSCc2nc3ccccc3s2)n1 95454080 SNUZGQHWGOUOSS-UHFFFAOYSA-N 333.442 1.974 0 40 EDAB O=S(=O)(NC[C@H](O)C1CC1)c1ccccc1OC(F)(F)F 71304585 DGPDJGJFDLWGPT-VIFPVBQESA-N 325.308 1.634 0 40 EDAB C[C@H]1CCCN(C(=O)CN[C@@H](CO)c2cc(F)c(F)c(F)c2)C1 96006499 MOQLHKMCZAGJOO-HZMBPMFUSA-N 330.350 1.985 0 40 EDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1nncs1 49545970 HNHYJUANLKYXGY-UHFFFAOYSA-N 346.416 1.008 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(N)=O 5059439 IOIYOCQFUTXOCV-UHFFFAOYSA-N 348.380 1.301 0 40 EDAB C[C@@H](NC(=O)[C@H]1CN(C)CCO1)c1cnn(Cc2ccccc2)c1 95440203 VHBYHFCTWPBPKV-RHSMWYFYSA-N 328.416 1.439 0 40 EDAB CCCCn1c(SCCNC(=O)OCC(F)(F)F)n[nH]c1=O 65474859 VHTLXXPABSXMOS-UHFFFAOYSA-N 342.343 1.752 0 40 EDAB NC(=O)C1(N2CCCCC2)CCN(c2ccc(N)cc2C(=O)O)CC1 408712669 GBEBRRQJPKJTJC-UHFFFAOYSA-N 346.431 1.277 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(C(=O)NC[C@H]2CCCO2)CC1 65604491 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Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCCC1 8262826 KLGOMDPCNQKQMV-CYBMUJFWSA-N 339.461 1.668 0 40 EDAB CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1cccs1 69352216 AZNUWISDFNHZCN-UHFFFAOYSA-N 325.459 1.896 0 40 EDAB C[C@H](O)CN1CCC(CNCc2ccc(S(C)(=O)=O)cc2)CC1 69349808 IOCUMPODUJMXMS-AWEZNQCLSA-N 340.489 1.273 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)c1 8380049 SDADQMYIQRNNHK-LSDHHAIUSA-N 336.457 1.792 0 40 EDAB Cn1ccnc1CN1CCN(CC[S@](=O)c2ccccc2)CC1 69487240 HAMJUIZTKGJTFO-HSZRJFAPSA-N 332.473 1.346 0 40 EDAB CC(C)[C@@H](C(=O)NCCS(=O)(=O)c1ccccc1)N1CCCC1 69444004 BQLRZDOHIWIPPX-INIZCTEOSA-N 338.473 1.697 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1 69420151 GFORHWRTIVEEFU-RHSMWYFYSA-N 348.443 1.979 0 40 EDAB CCn1cc(CN2CCCN(C(=O)Cc3ccc(C)nc3)CC2)cn1 69489641 HXDWNOVLSGHPOC-UHFFFAOYSA-N 341.459 1.883 0 40 EDAB Cc1cnc(S(=O)(=O)Cc2nnc(-c3ccccc3F)o2)nc1 91574745 AFGYLSQUUPTKKG-UHFFFAOYSA-N 334.332 1.948 0 40 EDAB Cn1ccnc1CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 69558609 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40 EDAB Cc1ocnc1C(=O)OCCn1cc(Br)ccc1=O 97034396 MDGGWQFJMXBXSJ-UHFFFAOYSA-N 327.134 1.764 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@H](n2cccn2)C1 71186397 UDKAHUCEDYGNRZ-AWEZNQCLSA-N 337.383 1.457 0 40 EDAB CCOc1ccc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 72269481 QTWPPSSBDAZYPJ-ROUUACIJSA-N 332.444 1.685 0 40 EDAB O=C(CCN1C(=O)CCc2ccccc21)N[C@@H]1CCc2nccn2C1 72291314 XGDUROZHVGUWEE-OAHLLOKOSA-N 338.411 1.684 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCN([C@H]2CCC[C@@H]2O)CC1 72268917 QMBKXVNJXWUULS-GJZGRUSLSA-N 332.400 1.129 0 40 EDAB CNS(=O)(=O)c1ccc(N2CCC[C@H](c3nccs3)C2)nc1 95994707 FETRVMLBFRBURL-NSHDSACASA-N 338.458 1.830 0 40 EDAB Cc1ccc([C@@H](CNC(=O)c2nc(C)c(C)[nH]c2=O)N(C)C)cc1 95975797 KMUCIXLTUZWPBZ-OAHLLOKOSA-N 328.416 1.728 0 40 EDAB COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)CCn1cncn1 89346541 SAACRUUZPJFRAJ-CYBMUJFWSA-N 328.294 1.542 0 40 EDAB COC(=O)CNC(=O)Cc1cccc(I)c1 89400940 KJYKMTZJYHCMIG-UHFFFAOYSA-N 333.125 1.123 0 40 EDAB CCOC(=O)N1CCN(C(=O)NC[C@H]2CCCN(C(C)C)C2)CC1 75128230 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EDAB N[C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3nc[nH]c4nccc3-4)C2)C1 1549293098 RJXVBBLRWMODEP-SCRDCRAPSA-N 329.404 1.268 0 40 EDAB Cc1ccc(C2(O)CCN(C(=O)c3noc(C)c3CO)CC2)nc1 67833720 WOCQENKVSZDEDN-UHFFFAOYSA-N 331.372 1.303 0 40 EDAB Cc1nnnn1-c1cccc(NC(=O)c2noc3c2COCC3)c1 527594792 LYGLDYLFBIPVNZ-UHFFFAOYSA-N 326.316 1.284 0 40 EDAB O=C(NCC1(O)Cc2ccccc2C1)N[C@H]1CCc2c[nH]nc2C1 531825282 WJUYYTFGFQWEFM-HNNXBMFYSA-N 326.400 1.096 0 40 EDAB CNCC(=O)N1CCC[C@H]1c1cc(Nc2nnc(C)s2)nc(C)n1 72360930 AABCCJBTBWQHTM-LBPRGKRZSA-N 347.448 1.571 0 40 EDAB COC(=O)C1CCN(C(=O)CNC(C)(C)c2ccccc2OC)CC1 78440880 DTNCWJIUZIZALS-UHFFFAOYSA-N 348.443 1.932 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H]2C[C@H](C)OC2=O)C1 75862549 XTBBDOKFCHAGGQ-QJPTWQEYSA-N 336.354 1.813 0 40 EDAB CC1(c2[nH]ncc2S(C)(=O)=O)CCN(C(=O)c2cccnc2)CC1 72388893 JRHQNORNZJPJEE-UHFFFAOYSA-N 348.428 1.402 0 40 EDAB C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)N(C)Cc1ccc(F)cc1 79100405 YQCQUEFOZKDVSU-CHWSQXEVSA-N 344.452 1.538 0 40 EDAB COCc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)s1 36360145 IVYDISFHWXIDJX-SMDDNHRTSA-N 346.412 1.843 0 40 EDAB Cc1cn2nc(N[C@@H]3CCN(C(=O)c4csnc4C)C3)ccc2n1 560742772 BNZFJIVHZGBWSX-GFCCVEGCSA-N 342.428 2.129 0 40 EDAB O=C(O)CC1(CN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 565721868 WQPBJWPOLNOMHR-UHFFFAOYSA-N 338.429 1.248 0 40 EDAB COCCNc1cc(C)nc([C@H]2CCCCN2S(C)(=O)=O)n1 72366300 SDOONXPOYCMUDE-GFCCVEGCSA-N 328.438 1.330 0 40 EDAB CC(C)c1cc(C(=O)NCCn2nnn(-c3cccs3)c2=O)on1 72341041 RLDUJWHRYNMDLT-UHFFFAOYSA-N 348.388 1.032 0 40 EDAB Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)c1ccccn1 79489807 YBBBETFWDGDSBY-UHFFFAOYSA-N 326.331 1.669 0 40 EDAB Cn1nnc(-c2ccc(NC(=O)C(=O)NCc3ccccc3)cc2)n1 44919412 QJPXALODKKOWMO-UHFFFAOYSA-N 336.355 1.132 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2O)C1 530007611 YILJUVWSBCKPPI-SNVBAGLBSA-N 330.381 1.532 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225521623 XCQNRJFWCKLWOR-UHFFFAOYSA-N 334.420 1.912 0 40 EDAB COCCN(C)c1ccc(CN2CCN(C(C)=O)CC2(C)C)cn1 191463945 DOMVCJGQVBPSPM-UHFFFAOYSA-N 334.464 1.607 0 40 EDAB Cc1ccc(C(=O)O)cc1NC(=O)C(=O)NCC1(N(C)C)CCCC1 49549233 ARIUMCWMSQXWJW-UHFFFAOYSA-N 347.415 1.622 0 40 EDAB CN([C@@H](C(=O)NCc1cccnc1)c1ccccc1)S(C)(=O)=O 223669204 NBFJTCMSEHXYIN-OAHLLOKOSA-N 333.413 1.331 0 40 EDAB COc1ccc(-c2nc(C)no2)cc1S(=O)(=O)N1CCOCC1 227153843 GFDIGAPCLHDYSS-UHFFFAOYSA-N 339.373 1.075 0 40 EDAB Cn1nc(C(=O)N2CCSCC2)cc1NC(=O)c1cccs1 40745964 JHFAKYCQFXIVIS-UHFFFAOYSA-N 336.442 1.923 0 40 EDAB CC[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1cnn(C)c1 88787366 MBQCPGTVISTPTK-CQSZACIVSA-N 334.445 1.839 0 40 EDAB O=C(CCc1c(F)cccc1Cl)N1CC(N2C(=O)CCC2=O)C1 238818995 CEAINZKLNUKOSW-UHFFFAOYSA-N 338.766 1.772 0 40 EDAB CN(C)C[C@]12COC[C@H]1CN(S(=O)(=O)c1cccc(F)c1)C2 96108253 PUOVBCNECHPNOU-DOMZBBRYSA-N 328.409 1.024 0 40 EDAB Cc1ncsc1CNC(=O)N1CCn2c(nnc2C(F)(F)F)C1 96417727 NSBJGQUXPGBDEO-UHFFFAOYSA-N 346.338 1.787 0 40 EDAB CN(C)CCOC[C@@H]1CN(C(=O)C[C@H]2C=CCC2)Cc2nnn(C)c21 96198532 GRMMASUGZOYRKB-GJZGRUSLSA-N 347.463 1.175 0 40 EDAB Cn1cccc1C(=O)NC1CCN(C(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 96403809 IKCLSRTZVDXJTH-YCPHGPKFSA-N 327.428 1.958 0 40 EDAB Cc1occc1C(=O)N1CC[C@@H]2O[C@H](COCCN(C)C)CC[C@@H]21 96064595 ZVBGICGCVJLZRK-XIRDDKMYSA-N 336.432 1.928 0 40 EDAB O=C(N[C@H](CO)C(=O)O)c1ccc2noc(-c3ccccc3)c2c1 95471303 DEYQICAVQHQTET-CQSZACIVSA-N 326.308 1.670 0 40 EDAB C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1cccc(-n2cccn2)c1 96443804 COWLOQKFVXEFRO-LBPRGKRZSA-N 325.372 1.658 0 40 EDAB COC[C@H]1CN(CC2CC2)C(=O)[C@@H]2CCN([C@H]3CCOC3)CC[C@H]12 96065571 FOTXLUANFDJHNX-XMTFNYHQSA-N 336.476 1.618 0 40 EDAB COC(=O)c1ccc(NC(=O)CSc2ccc3nncn3n2)cc1 96118064 BALYHYCFVYGTGB-UHFFFAOYSA-N 343.368 1.642 0 40 EDAB Cc1cc(OC2CN(C(=O)c3cnccn3)C2)cc(=O)n1C1CC1 239846363 LCKXOSOLFOIBOM-UHFFFAOYSA-N 326.356 1.185 0 40 EDAB CN(C[C@H]1CCCCO1)C(=O)CNC(=O)c1cc(F)cc(F)c1 96404945 NATKBUUETXMWPX-CQSZACIVSA-N 326.343 1.722 0 40 EDAB O=C(c1ccncc1F)N1CC[C@@H]2[C@H]1CCN2CC1CCOCC1 96184468 XHQDBYCYNCBCPY-IAGOWNOFSA-N 333.407 1.936 0 40 EDAB COC[C@@H]1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 96437284 RYTAOGPYUNTFCO-QZTJIDSGSA-N 332.444 1.772 0 40 EDAB COc1ccsc1S(=O)(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1 96472718 RNJUNXYANXIEFJ-YNEHKIRRSA-N 342.486 1.862 0 40 EDAB Cn1cc(CN2CC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cn1 96219580 JTHLGIYEZXSOMJ-HOCLYGCPSA-N 332.383 1.195 0 40 EDAB O=C(O)[C@H](O)C1CCN(S(=O)(=O)c2cccc(C(F)F)c2)CC1 1601686971 FYMROGPLYSTGSA-GFCCVEGCSA-N 349.355 1.470 0 40 EDAB CON(C)C(=O)[C@H](c1cc(Br)cs1)N1CCOCC1 584907225 HZNLGEPHHQMFCD-NSHDSACASA-N 349.250 1.904 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccsc2)Cc2nccn2C1 96059126 AYIUDJGEZLGIRX-OAHLLOKOSA-N 348.472 1.681 0 40 EDAB CN1C(=O)C2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21 96052507 KSAUDDJHMMQXJO-UHFFFAOYSA-N 328.412 1.950 0 40 EDAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(c2nccn2C)CC1 96436913 LTJDFNWPOAAUCT-CYBMUJFWSA-N 332.379 1.675 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230814 ZJHQRZLSQPLXSE-IPJQOSJUSA-N 334.347 1.023 0 40 EDAB COCCNC(=O)[C@H]1CN(Cc2ccsc2)Cc2ncn(C)c21 248022240 IDVDIJVAGFHZEB-ZDUSSCGKSA-N 334.445 1.344 0 40 EDAB COC(=O)C[C@H]1CCCN1C(=O)CC1CCN(CC(F)F)CC1 585129727 UBJBCYGDRIJFPA-CYBMUJFWSA-N 332.391 1.908 0 40 EDAB COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc(CO)on1 585135304 ATUBXUXIRJTSDV-AWEZNQCLSA-N 346.383 1.997 0 40 EDAB CC(C)C[C@H](C)NC(=O)CNc1ccc(S(N)(=O)=O)cc1F 585121246 JSJPTPSAOMDNOQ-JTQLQIEISA-N 331.413 1.436 0 40 EDAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)Cc1ccsc1 257207282 BHBWGMFYSRCUAL-KRWDZBQOSA-N 346.456 1.571 0 40 EDAB Cc1cnc([C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)cn1 257297365 RGYGAVWDCJNLSR-KRWDZBQOSA-N 347.440 1.762 0 40 EDAB Cc1nc(C[C@H]2CCCN(Cc3cscn3)C2)cc(C(N)=O)n1 257201849 AJHBTRFIJDNLDH-GFCCVEGCSA-N 331.445 1.795 0 40 EDAB O=S(=O)(c1cccnc1)N1CCC(c2ccnc3ccnn23)CC1 257334000 YEBPYXZFUNAIMI-UHFFFAOYSA-N 343.412 1.693 0 40 EDAB Cc1n[nH]c(C)c1-c1cncc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257306511 SUNMKXVBLUFTSX-LBPRGKRZSA-N 335.433 1.623 0 40 EDAB CC(C)NC(=O)C1(CCCc2cnccn2)CCN(CCO)CC1 257282177 OSROURLNQIVQPY-UHFFFAOYSA-N 334.464 1.398 0 40 EDAB CNC(=O)[C@H]1CN(c2cc(C)ncn2)CCN1Cc1ccccc1 253478635 MFHKEQHYNJVEQZ-MRXNPFEDSA-N 325.416 1.222 0 40 EDAB Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)n1 257324571 WPHMQORJZYHZAH-ZDUSSCGKSA-N 337.449 1.339 0 40 EDAB CCc1cccc(S(=O)(=O)N(C)C2(C(=O)OC)CC(OC)C2)c1 1615585840 MGJIVKDQNCEIFU-UHFFFAOYSA-N 341.429 1.590 0 40 EDAB CC(=O)NCCNc1nc(C)nc2c1cnn2-c1cccc(F)c1 1615585811 LZTPKVPANUDMDR-UHFFFAOYSA-N 328.351 1.811 0 40 EDAB Cc1cc(N2CCOCC2)nc(CNC(=O)/C=C/c2ccco2)n1 96120915 GCMSRQKIZBDBBL-SNAWJCMRSA-N 328.372 1.544 0 40 EDAB Cn1ccc([C@H]2CCCN(C(=O)CNC(=O)c3ccccc3)C2)n1 390832059 WYZPIUGAKQMZCK-HNNXBMFYSA-N 326.400 1.556 0 40 EDAB O=C(N[C@@H](Cc1ccncc1)C(=O)O)[C@@H]1COc2ccccc2C1 655601765 RRVLITRSHZTMCZ-GJZGRUSLSA-N 326.352 1.445 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ocnc1C 585287955 JUXOTLCQOIJXFF-YVEFUNNKSA-N 335.404 1.661 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CC(F)(F)C[C@]2(CCNC2=O)C1 585093286 NIYQDEYXWFAENW-OAHLLOKOSA-N 326.318 1.742 0 40 EDAB O=C(O)[C@H](F)[C@@H]1CCN(C(=O)c2cc(O)nc3cc(F)ccc23)C1 1548596696 BPEYLMVQGIBRFY-XLKFXECMSA-N 336.294 1.964 0 40 EDAB Cc1cc(C)cc(OCC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1 29360179 CTDGWLIZWZGZNY-KRWDZBQOSA-N 340.379 1.962 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)c3ccccc32)c(C)c1 69843888 ZJQZGHVISMUHMP-CQSZACIVSA-N 346.408 1.781 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)NCCCCN1CCC[C@@H](C)C1 70015345 JVOAFSDRXOKRON-OAHLLOKOSA-N 347.525 1.286 0 40 EDAB COc1cc(F)c(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1OC 72277740 KTSQBZALIPTSOD-LLVKDONJSA-N 344.408 1.312 0 40 EDAB COc1cccc2c1OC[C@H](C(=O)N1CCC[C@@H](n3cncn3)C1)C2 72235100 KHHMOMUOOYPMNU-HUUCEWRRSA-N 342.399 1.702 0 40 EDAB COc1cc2nc(N3CCC(NC(C)=O)CC3)nc(N)c2cc1OC 72275580 XDHGBMPBQQFPLC-UHFFFAOYSA-N 345.403 1.334 0 40 EDAB CCCc1nnc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)s1 43509176 NZXVSJGYVNQYBO-VIFPVBQESA-N 332.451 1.243 0 40 EDAB O=c1cc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc2ccccn12 1776009595 LFLZADSFBJWYOC-UHFFFAOYSA-N 348.410 1.689 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)Cn1cc(C(F)(F)F)ccc1=O 48324744 NLQAXMFLRDTOLF-UHFFFAOYSA-N 328.294 1.259 0 40 EDAB C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1CCCC1 40490287 WVUVKMITONPVDR-CYBMUJFWSA-N 337.445 1.649 0 40 EDAB Cc1cc(C)n(-c2ccc(N3CCN(c4ncccn4)CC3)nn2)n1 78289319 ZVPZSKUZELRHRM-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB CCn1cc(S(=O)(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)cn1 583650668 PNUAYKMWOUEKBG-HOTGVXAUSA-N 346.456 1.312 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCc1nn[nH]n1 585120735 GWXZBBDJWFCMFR-CQSZACIVSA-N 328.420 1.255 0 40 EDAB Cc1ncnc(N2C[C@H]3CN(c4ccc5nncn5n4)C[C@H]3C2)c1C 585614608 IAGJHNJERSDGJU-OKILXGFUSA-N 336.403 1.104 0 40 EDAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 110012655 LDHNMIZCPRNASW-DGCLKSJQSA-N 336.388 1.712 0 40 EDAB CC1(C)O[C@H]2O[C@@H]([C@H](O)COC(=O)c3ccccc3)[C@H](F)[C@@H]2O1 5742152 KWTCJBZBPXSFRW-HYFYGGESSA-N 326.320 1.419 0 40 EDAB CCc1nn(CC(=O)NC2CCC2)c(=O)c2cc3ccsc3n12 12114321 HCFPNLZKTBTVFM-UHFFFAOYSA-N 330.413 1.942 0 40 EDAB CCn1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)cn1 12117080 UDCRORQFRYJXPZ-VIFPVBQESA-N 336.373 1.423 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccccn1 12148081 YSLFQMISGQIBOE-WDEREUQCSA-N 347.396 1.841 0 40 EDAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)[C@@H](C)N)C2)C1 12365954 BHAATZMPNVXBHZ-ACJLOTCBSA-N 331.416 1.136 0 40 EDAB COc1cc2nc(CSCC(=O)NC3CC3)[nH]c(=O)c2cc1OC 12390459 BGISTUWMZBGAGN-UHFFFAOYSA-N 349.412 1.452 0 40 EDAB COc1ccc(CNC(=O)C[C@@H]2CSc3nccc(=O)n32)cc1 14031054 TVPXQYYWAVUMTA-GFCCVEGCSA-N 331.397 1.605 0 40 EDAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16022070 OBEZRCYYBPFVDT-RILGBQCXSA-N 327.384 1.225 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)C(F)(F)F)C[C@H](C1)C2=O 169804878 AKBJEAUCFQISHM-RKDXNWHRSA-N 336.310 1.443 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](n2ccnn2)C1 206934617 ZIPIGTAHFQCWNO-LBPRGKRZSA-N 326.809 1.876 0 40 EDAB O=C([C@@H]1CN(CCc2ccc3c(c2)CCO3)CCO1)N1CCCCC1 1888866429 DDOUBOGPLRDSLS-IBGZPJMESA-N 344.455 1.877 0 40 EDAB Cc1nnc(CN2CCN(c3ccc(-c4ccccn4)nn3)CC2)o1 1889070468 FKYAYGKMXBJTPV-UHFFFAOYSA-N 337.387 1.552 0 40 EDAB CN(C)c1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 24699650 RPXWFUMDVALMIC-UHFFFAOYSA-N 333.413 1.330 0 40 EDAB COCCCN1CCC[C@@]2(CCCN(C(=O)c3cncnc3)C2)C1 2056223485 NVIWCKJFXODRCO-GOSISDBHSA-N 332.448 1.831 0 40 EDAB CC1CC(C(=O)N2CCn3c(COc4ncccn4)nnc3C2)C1 1565553099 KPUAZWZZUKRPLK-UHFFFAOYSA-N 328.376 1.035 0 40 EDAB COC(=O)Nc1nc(CC(=O)Nc2ccc(C(N)=O)cc2)cs1 12440442 PSPHCTYGNNGENM-UHFFFAOYSA-N 334.357 1.602 0 40 EDAB CCn1c(SCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 16839548 ZGBKSPJGQVOJIK-UHFFFAOYSA-N 330.413 1.746 0 40 EDAB CCCCN(C)CCNC(=O)c1c(O)nc2c(C)cccn2c1=O 20356046 XFKNPQXQWWPLPZ-UHFFFAOYSA-N 332.404 1.170 0 40 EDAB COC(=O)N1CCC(CNC(=O)COc2cccc(OC)c2)CC1 43982399 JNHUGHQRWHCBQD-UHFFFAOYSA-N 336.388 1.669 0 40 EDAB O=C(NCCn1nc([C@H]2CCNC2)c2nccnc21)C1CCCCC1 19404444 BTVPVQMTLTXYPF-AWEZNQCLSA-N 342.447 1.600 0 40 EDAB O=C1COc2ccc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@H]3C4)cc2N1 103545303 VWYBMNCJNPYZKN-SDDRHHMPSA-N 336.413 1.732 0 40 EDAB CCN(Cc1ccc(Cl)s1)C(=O)Cn1ccc(=O)n(C)c1=O 30722846 MFPRFUZGJSQXGG-UHFFFAOYSA-N 341.820 1.311 0 40 EDAB CC(=O)NC1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1 50416286 MFBZXTBONOSCSO-UHFFFAOYSA-N 345.321 1.763 0 40 EDAB O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 100472141 DHFHJLRUFGWPSJ-NZBPQXDJSA-N 325.368 1.615 0 40 EDAB aggregator CC(=O)NCCCNC(=O)c1nn(-c2ccc(C)cc2C)nc1C 31242269 OROCMEFAMINKCP-UHFFFAOYSA-N 329.404 1.449 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)cc1 40497473 AUDBSNZRPHQORR-UHFFFAOYSA-N 348.428 1.266 0 40 EDAB O=C1CN(C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CCN1 40514005 OWXOLCQANPHIAA-UHFFFAOYSA-N 348.790 1.671 0 40 EDAB COc1ccccc1CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 40506077 ATDXPTYKRYDKGG-NSHDSACASA-N 330.306 1.722 0 40 EDAB CN1N=C(C(=O)NCC2(N3CCSCC3)CCCC2)CCC1=O 31959056 IYRWBGNGMKDLEM-UHFFFAOYSA-N 338.477 1.072 0 40 EDAB O=C(NCCN1CCOCC1)c1cnn(Cc2ccccc2Cl)c1 32059799 CKVUCBJVNMILOA-UHFFFAOYSA-N 348.834 1.647 0 40 EDAB COc1ccc(OC)c2c1CN(c1cn[nH]c(=O)c1Cl)C[C@@H]2O 32808468 CNZZGEBTBZKISF-JTQLQIEISA-N 337.763 1.494 0 40 EDAB CCc1ccc(-n2nc(CO)c(C(=O)NC[C@H]3CCCO3)n2)cc1 21783390 WORFVCVAZUHPPT-CQSZACIVSA-N 330.388 1.231 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2ccccc2OC)NC(=O)N[C@H]1C 32942922 MSFTZZNSBSQDAK-JTQLQIEISA-N 348.355 1.371 0 40 EDAB Cc1c(C(=O)OCC(=O)N[C@@H]2CCOc3ccccc32)cnn1C 22285253 MOPDDJCPAPHHSW-CQSZACIVSA-N 329.356 1.525 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)nc2)C1 42041761 UCJHSXBZOZVLIJ-AWEZNQCLSA-N 331.420 1.089 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccc(C(C)C)cc2)CC1 22776350 IXOXQDANDBMORC-HNNXBMFYSA-N 346.475 1.772 0 40 EDAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccsc1 42267750 UPSJCSJCBJQKKD-UHFFFAOYSA-N 325.367 1.638 0 40 EDAB Cc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)C(=O)O 54333940 GVPPFFKHYWYXNE-QMMMGPOBSA-N 336.207 1.757 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@](C)(O)CSC)cc1Cl 77105432 XXXYOEGEABWVKI-LBPRGKRZSA-N 339.866 1.741 0 40 EDAB COc1ccc([C@H](C)N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1 537333 REKWHZMALYIKHA-HCDGYZIZSA-N 329.352 1.623 0 40 EDAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCOCC1 24013840 OXUIEZLWXYLJPL-UHFFFAOYSA-N 325.796 1.035 0 40 EDAB C[C@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCOCC1 24681923 GCNCYFVRMMQOGO-SNVBAGLBSA-N 336.816 1.478 0 40 EDAB Cc1cc(NC(=O)NCCN2CCN(c3ccccc3)CC2)n(C)n1 43433520 AJHXWBNEULBWSP-UHFFFAOYSA-N 342.447 1.672 0 40 EDAB CN(C)C(=O)CCC[S@](=O)CC(=O)Nc1ccc(F)cc1F 95413725 AWXURNAISRTTSB-JOCHJYFZSA-N 332.372 1.520 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cnn(C)c3)CCO2)n1 107140329 JKQFVJWWUFTYMI-IHRRRGAJSA-N 344.419 1.365 0 40 EDAB CCn1c(CNc2ncccc2S(N)(=O)=O)nc2ccccc21 75611161 LKNSCMIUJLRMBB-UHFFFAOYSA-N 331.401 1.711 0 40 EDAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCOCC2)c(C)c1 25970002 CWJSYWUVGOJKIP-UHFFFAOYSA-N 340.445 1.139 0 40 EDAB C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCNC2=O)CCN1Cc1ccccc1 107511473 JQVBFFXWAWHTCZ-PVAVHDDUSA-N 344.459 1.617 0 40 EDAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@H]1CCCO1 44255678 IOHAPAIZASGVSO-SECBINFHSA-N 337.767 1.233 0 40 EDAB CC[C@@H](C)NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3 1784841 OYXNCXGZHLFDIP-VHSXEESVSA-N 334.445 1.893 0 40 EDAB CCS(=O)(=O)NCCN1CCC[C@H]1c1cccc(N(C)C)c1 75838530 ULLMRVDCHRXWTA-INIZCTEOSA-N 325.478 1.829 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@@H]3COc4ccccc4C3)CCO2)n1 76044963 PWAUBLMGCYSQMF-DZGCQCFKSA-N 328.372 1.264 0 40 EDAB CC(C)=CC(=O)OCC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 8429288 UELUTGMXAMWXML-UHFFFAOYSA-N 325.386 1.775 0 40 EDAB COc1ccc(CNC(=O)c2c(O)c3c([nH]c2=O)CCCC3)cc1 8922247 FNWITRSEIFFWID-UHFFFAOYSA-N 328.368 1.898 0 40 EDAB biogenic COc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc(Cl)c1OC 44719263 QMPAHVPOWWMIQY-SECBINFHSA-N 347.820 1.522 0 40 EDAB NC(=O)c1cccc(CSc2nnc(N3CCOCC3)s2)c1 58158510 QSGIVNHZGUHXHW-UHFFFAOYSA-N 336.442 1.766 0 40 EDAB O=C(N[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1ccncc1F)c1ccco1 107806459 NYSFJBXBJJROCU-LERXQTSPSA-N 329.331 1.989 0 40 EDAB COCCn1cc(NC(=O)NC[C@H](O)c2ccc(F)c(F)c2)cn1 44969967 GURGKRQXKVZJHE-AWEZNQCLSA-N 340.330 1.663 0 40 EDAB CCn1c(=O)c(C(=O)CSC)c(N)n(Cc2ccccc2)c1=O 44973212 UPCJSKQDYSDLSQ-UHFFFAOYSA-N 333.413 1.206 0 40 EDAB CC(C)CCS(=O)(=O)NCc1cccnc1N1CCOCC1 58344153 XBZUKCAGOUZVGJ-UHFFFAOYSA-N 327.450 1.384 0 40 EDAB CCN(Cc1ccccc1)S(=O)(=O)C1CCS(=O)(=O)CC1 58367394 BVOXKADPBGHEOA-UHFFFAOYSA-N 331.459 1.416 0 40 EDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2cccc(C)c2)C(=O)N1 9926904 LWMXTIZSETVGKU-QWHCGFSZSA-N 336.413 1.487 0 40 EDAB COCCOc1ccc(C(=O)N(CC(=O)O)C[C@@H]2CCCO2)cc1 95424818 MLKZSXKWCJZZRN-HNNXBMFYSA-N 337.372 1.418 0 40 EDAB FC(F)(F)c1cc(N[C@@H]2CCO[C@]3(CCOC3)C2)n2ncnc2n1 95458038 FUNFSTNGGWVOPN-NOZJJQNGSA-N 343.309 1.893 0 40 EDAB CCCS(=O)(=O)NC1CCN(C(=O)Nc2cccnc2)CC1 47967518 NSGHSGZPAXRATA-UHFFFAOYSA-N 326.422 1.407 0 40 EDAB C[C@H](CCN1CCCC1)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 95400529 YAYRMASEPJERDX-IEBWSBKVSA-N 345.487 1.878 0 40 EDAB CC(C)CN1C[C@H](C(=O)NCCc2nc3ccccc3[nH]2)CC1=O 45883885 OLDWAONNPPVTGA-CYBMUJFWSA-N 328.416 1.726 0 40 EDAB Cn1c(=O)n(CC(=O)N(C[C@H]2CCOC2)C2CC2)c2ccccc21 46938829 IKLPPBKFONFWET-CYBMUJFWSA-N 329.400 1.368 0 40 EDAB COc1ccc(N2C[C@H](C(=O)Nc3nc[nH]n3)CC2=O)cc1Cl 12390805 INIOWSZGGYRYHZ-MRVPVSSYSA-N 335.751 1.458 0 40 EDAB C[C@@H](NC(=O)NC1(c2noc(C3CC3)n2)CCCC1)c1nncn1C 95406628 HZUYMKGWTZNVSA-SNVBAGLBSA-N 345.407 1.905 0 40 EDAB O=C(CN1CCCCCCC1=O)NCc1nnc2n1CCCCC2 48108295 JKUNBYPZAYZKBM-UHFFFAOYSA-N 333.436 1.413 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@H](c1cccc(F)c1)N(C)C 48287109 BOWNJFSPIPUPIG-CQSZACIVSA-N 334.399 1.539 0 40 EDAB CN(CCCOc1ccc(F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 48291117 HTRXAIJROHWFRA-CYBMUJFWSA-N 344.408 1.423 0 40 EDAB O=C(NCCCCn1ccccc1=O)N1CCOC2(CCCC2)C1 89878801 IUJNIGHPKSGGRZ-UHFFFAOYSA-N 333.432 1.983 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1ccccn1)C2=O 3486664 NDNKFJJPGJIJHH-FZKQIMNGSA-N 344.415 1.241 0 40 EDAB C[C@@H](C(=O)Nc1nc2c(s1)CCC2)n1nnc2ccccc2c1=O 61719750 IAFVAEHFYPJQSD-VIFPVBQESA-N 341.396 1.936 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)NCCc1ccc(Cl)cc1Cl 12922642 WOZGPFSZEGXDOU-UHFFFAOYSA-N 342.182 1.202 0 40 EDAB C[C@H](CC(=O)Nc1ccc(C(N)=O)cc1)NC(=O)c1ccccc1 12905169 PYWLETVOQLHZBX-GFCCVEGCSA-N 325.368 1.933 0 40 EDAB Cc1ccc(Cl)cc1NCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 12917175 DXGWZKCEDNBOHE-UHFFFAOYSA-N 348.790 1.710 0 40 EDAB O=C(CCCNS(=O)(=O)c1cccs1)Nc1cccnc1 9157586 IUUDATFQBFYKAJ-UHFFFAOYSA-N 325.415 1.840 0 40 EDAB O=c1[nH]c(NCc2cccnc2N2CCOCC2)nc2ccccc12 97995010 VVDPAPBNOURQCT-UHFFFAOYSA-N 337.383 1.767 0 40 EDAB Cc1nn(C)c(I)c1I 4419246 PPHAJZAQWKWXGH-UHFFFAOYSA-N 347.925 1.938 0 40 EDAB CN1C[C@H](C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)CC1=O 66770440 BOKHMTAHOAQBJU-TZMCWYRMSA-N 330.384 1.600 0 40 EDAB CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)N[C@H](C(=O)O)C(C)C 4834702 RLNFSOJVXCHOJQ-MFMIUCCHSA-N 348.355 1.118 0 40 EDAB Cc1cc(C)c(CNC(=O)N2CCN(c3ccccn3)CC2)c(=O)[nH]1 89568554 WNYJJDAQMJXQEY-UHFFFAOYSA-N 341.415 1.419 0 40 EDAB COCCNC(=S)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 20675565 ISQPBBWVPPYLEI-UHFFFAOYSA-N 348.394 1.743 0 40 EDAB Cc1cccc(F)c1NC(=O)NC[C@](C)(O)CN1CCOCC1 95996400 IHRPXHBKFKTVFE-INIZCTEOSA-N 325.384 1.339 0 40 EDAB Cc1ccc([C@@H]2CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)cc1C 68134859 XVEGYFWMPXXVOX-HNNXBMFYSA-N 327.384 1.517 0 40 EDAB O=C1CCc2cc(S(=O)(=O)NCCOc3ccccc3)ccc2N1 7686584 ZPZYFUGDKRGEKI-UHFFFAOYSA-N 346.408 1.929 0 40 EDAB c1cnnc(N2CCC[C@@H]2CNCc2nc(-c3ccco3)no2)c1 71859896 LMHACARLVCEHBI-GFCCVEGCSA-N 326.360 1.878 0 40 EDAB C[C@@H](CC(=O)N1CCC2(CC1)NC(=O)NC2=O)c1ccccc1F 69321555 REXDJUVEZWASFB-NSHDSACASA-N 333.363 1.520 0 40 EDAB COCCN(CC(=O)O)C(=O)[C@@H](C)OCc1cccc(OC)c1 95969821 VUPRZTSQOVEDIS-GFCCVEGCSA-N 325.361 1.160 0 40 EDAB CC(C)[C@H](C)NC(=O)COC(=O)[C@@H](NCC(F)(F)F)C(C)C 71922231 KECZUUNGDXHLBF-JQWIXIFHSA-N 326.359 1.867 0 40 EDAB O=C(CN1CCN(C[C@H]2CCCO2)CC1)NCCc1ccsc1 71915605 PMJORQHUELSDCK-MRXNPFEDSA-N 337.489 1.203 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)NNc1ncnc3[nH]cnc13)C2 71916739 AMIKDLVTNGJARZ-JTQLQIEISA-N 340.343 1.056 0 40 EDAB CC(C)CN(CC(N)=O)C[C@H]1CC(c2c(F)cccc2F)=NO1 71921542 IGYXTWVOWSXKKO-LLVKDONJSA-N 325.359 1.901 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C(=O)[C@]1(C)CC1(Cl)Cl)C1CC1 71904474 FTBBKHVUPNTMDU-KWQFWETISA-N 328.261 1.994 0 40 EDAB Cc1cc(C(=O)Nc2nc[nH]n2)ccc1I 69569742 VRUJKNBIIHGRPM-UHFFFAOYSA-N 328.113 1.970 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCc2ccsc2)CC1 69562240 UJRNGVPZUXCNGL-HNNXBMFYSA-N 335.473 1.621 0 40 EDAB CCN(CC)C(=O)CS(=O)(=O)Cc1cccc2c1OCCO2 69581112 QNOFZDIZYAXPOW-UHFFFAOYSA-N 327.402 1.241 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N(Cc2ccccc2F)C2CC2)CC1 69652341 RGUFRMANIPRHEW-HNNXBMFYSA-N 349.450 1.315 0 40 EDAB CC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)CC1 69664382 KTWUXDHQSHHBQX-KRWDZBQOSA-N 330.388 1.107 0 40 EDAB O=C(/C=C/c1ccsc1)NCCN1CCN(C(=O)C2CCC2)CC1 69771656 WNTNKRRORNCGGF-SNAWJCMRSA-N 347.484 1.822 0 40 EDAB C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCC(Nc2cccnn2)CC1 69737980 XUIZSUUEONZBMK-GDBMZVCRSA-N 348.447 1.854 0 40 EDAB CN(C)C[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)CCO1 69819111 LAIZZLWMWDWMHU-OAHLLOKOSA-N 337.489 1.285 0 40 EDAB CCN(C(=O)[C@H](C)N1CCO[C@H](CN(C)C)C1)C1CCCCC1 69969403 XMUJPBXLIAPURI-DOTOQJQBSA-N 325.497 1.819 0 40 EDAB Cn1cnc(CNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)n1 92377544 XBVNUZWTWVZHEW-CABCVRRESA-N 329.404 1.613 0 40 EDAB Cc1cnc2c(S(=O)(=O)N[C@@H]3CCCn4ncnc43)cccc2c1 97013360 KJWOZKXFNADZPH-CYBMUJFWSA-N 343.412 1.948 0 40 EDAB COc1nc(NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)n[nH]1 97048539 JATNVGKRWUMZNM-ZCFIWIBFSA-N 346.313 1.931 0 40 EDAB O=C(CCc1cc(F)ccc1F)N1CCN([C@H]2CCC[C@H]2O)CC1 72269421 CFUOIXXCTPLSSP-DLBZAZTESA-N 338.398 1.955 0 40 EDAB COCCOc1ccc(CNC(=O)N2CCC[C@H](N(C)C)C2)cn1 72274217 PLAQOCKIJUAZHS-HNNXBMFYSA-N 336.436 1.342 0 40 EDAB Cc1cc(C)c(CNC(=O)NCc2nnc3ccccn23)c(=O)[nH]1 72282585 OAHHDOBTNJVXBY-UHFFFAOYSA-N 326.360 1.034 0 40 EDAB CCN1CCO[C@H](CN2CCN(C[C@H](O)c3ccccc3)CC2)C1 72279905 YGWAWMVYZZITBF-OALUTQOASA-N 333.476 1.058 0 40 EDAB O=S(=O)(Cc1ccc(Cl)nc1)NCCCOC[C@H]1CCCO1 72230451 FXFZWJFDLIQNSS-CYBMUJFWSA-N 348.852 1.740 0 40 EDAB CC(=O)N[C@@H](CC(=O)N[C@@H]1CCc2nccn2C1)c1ccccc1 97197352 HSSZGIKKGDUZLX-CVEARBPZSA-N 326.400 1.582 0 40 EDAB COC(=O)c1cncc(N2CCCN(Cc3ccccc3)CC2)n1 72307791 XIXGEWNTLDNEJU-UHFFFAOYSA-N 326.400 1.976 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@@H](O)C1 74479569 CQLKUPWJNCNMDH-FUHWJXTLSA-N 346.475 1.363 0 40 EDAB O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc[nH]n1 188975306 RWGAOWUGEKMLED-CQSZACIVSA-N 334.326 1.609 0 40 EDAB O=C(NCC[C@H]1CCOC12CN(c1ncccn1)C2)N1CCCC1 306144150 YXTCUMSQDHSTLZ-AWEZNQCLSA-N 331.420 1.267 0 40 EDAB C[C@@H]1CN=C(N2CCN(c3cnn(C)c(=O)c3Cl)CC2)S1 78400623 XHLYBBQRUATFFO-SECBINFHSA-N 327.841 1.047 0 40 EDAB Cc1cccc(CN2C[C@@H]3OC[C@H](CCOCC(=O)N(C)C)[C@@H]3C2)n1 306126480 DXEQJYHQMWKNIJ-SZMVWBNQSA-N 347.459 1.332 0 40 EDAB Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]1CO 120903635 INXKWZVKFVOFEF-NSHDSACASA-N 341.205 1.679 0 40 EDAB CC(C)CNC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1 35312029 YSWXPJPCKBSWEB-UHFFFAOYSA-N 328.420 1.651 0 40 EDAB CCN(C)C[C@H](O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 568882195 WGVBJMHHEZAGOR-MEDUHNTESA-N 337.445 1.144 0 40 EDAB CC(=O)Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1 72321518 PKQYHGNVEPUWRJ-SJLPKXTDSA-N 348.399 1.085 0 40 EDAB biogenic,in-vitro O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 32124241 SCIKMOZXUNDISF-IATRGZMQSA-N 339.395 1.456 0 40 EDAB CC[C@H](Cc1ccc(NS(=O)(=O)c2cnn(C)c2)cc1)C(=O)O 184904097 WSXMVQFTMUMLEF-GFCCVEGCSA-N 337.401 1.874 0 40 EDAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1 71287185 OARIARQZRGYDBR-QWHCGFSZSA-N 348.355 1.186 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccon3)CC2)c(C)c1 77247139 RLNRNZHWJDDIJB-UHFFFAOYSA-N 335.429 1.798 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)CCCn2cccc2)cc1 49030972 YZZVRPZGKZXVJP-UHFFFAOYSA-N 335.429 1.275 0 40 EDAB C[C@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)[C@H]1C[C@H]2CC[C@H]1C2 225419403 FZCGYHZWIBRKHK-WFGGJUAMSA-N 341.411 1.631 0 40 EDAB Cc1noc(-c2ccn3c(CNC(=O)c4cc(C)on4)nnc3c2)n1 225744886 HGFOHWFWFGDKMT-UHFFFAOYSA-N 339.315 1.314 0 40 EDAB Cc1ccccc1OCCCNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 225458561 JPXAMRMBEIHSSN-FUHWJXTLSA-N 347.459 1.878 0 40 EDAB CC(=O)c1cc(C(=O)O)c(=O)n(-c2ccc(Br)cc2)n1 225966180 SVOKTTOADGFQMX-UHFFFAOYSA-N 337.129 1.896 0 40 EDAB CS(=O)(=O)N(CCN1CCCSCC1)Cc1ccccc1 225399940 JIMSSXAGSXLFSR-UHFFFAOYSA-N 328.503 1.887 0 40 EDAB C[C@@H](Cn1ncc2ccccc21)C(=O)NS(=O)(=O)CC1CCC1 225470713 PYXCCSYTMJQVAI-LBPRGKRZSA-N 335.429 1.919 0 40 EDAB C[C@@H](SCC(=O)Nc1ccccc1)C(=O)N1CCC[C@@H](C(N)=O)C1 225691092 HVRHPTZNNBUDMO-CHWSQXEVSA-N 349.456 1.471 0 40 EDAB Cc1cncc(CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 225501008 KVFHCSFLBOBNNL-UHFFFAOYSA-N 326.400 1.927 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223181581 MGLPRAHLJWHNAT-VXGBXAGGSA-N 328.434 1.764 0 40 EDAB C[C@H]1CN(CCC2CCN(CCS(C)(=O)=O)CC2)C[C@@H](C)O1 96455930 ZBTBFNUUIVHOPU-GASCZTMLSA-N 332.510 1.242 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1cnc(I)c(O)c1 585089299 BYVKYVFHMHOANX-QMMMGPOBSA-N 348.140 1.301 0 40 EDAB Cc1nc(CNC(=O)N[C@H]2CCN(c3ncccc3F)C2)oc1C 95410123 WXRNEPVNITVGRT-LBPRGKRZSA-N 333.367 1.904 0 40 EDAB CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cccs3)CC[C@@H]21 96249273 XBEZEPUQFBABCQ-GJZGRUSLSA-N 337.489 1.615 0 40 EDAB O=C(c1ccno1)N1CCO[C@@H]2[C@@H](COc3ncccn3)CC[C@H]21 96250017 HTSQRWWOJZIYPQ-YRGRVCCFSA-N 330.344 1.163 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2ccncc2)[C@H]1Cc1cccnc1 96200878 CJCWRRDGJMNQKI-SJORKVTESA-N 346.456 1.211 0 40 EDAB COC[C@H]1CC2(CCN(CC3CC3)CC2)CN1S(=O)(=O)C1CC1 96218355 ZZOWHSSSYLKNMB-OAHLLOKOSA-N 342.505 1.692 0 40 EDAB CC(=O)N1C[C@@H](NC(=O)c2ncccc2O)CC[C@H]1C(F)(F)F 583619988 FOLVEUGTFKXPOX-ONGXEEELSA-N 331.294 1.459 0 40 EDAB Cn1cc(CN2CC[C@H]3O[C@H](C(=O)NCc4ccco4)CC[C@H]32)cn1 96186973 UBTFSOICSPGILJ-ZACQAIPSSA-N 344.415 1.451 0 40 EDAB O=C(CN1CCC(CN2CCCCC2=O)CC1)NCc1cccnc1 96443406 SEZGRQRSPYUOFH-UHFFFAOYSA-N 344.459 1.422 0 40 EDAB CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1ccncc1)C2 96039773 NMKAMUPDZSGQJE-IEBWSBKVSA-N 347.459 1.558 0 40 EDAB CCOCC(=O)N1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 96202190 RFFUXJDDOSLWJX-QGZVFWFLSA-N 338.473 1.836 0 40 EDAB COC[C@H](C)S(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 96410371 ZOMKMZJPSQUECJ-RDJZCZTQSA-N 340.489 1.853 0 40 EDAB O=C(c1ccccn1)N1CCC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96048392 SWEQZXLFQJLYNM-KSSFIOAISA-N 339.399 1.747 0 40 EDAB CC(C)CNC(=O)C1=NO[C@@]2(CCN(C(=O)Cc3cccs3)C2)C1 96225463 LJSRIMVKDWGGJO-KRWDZBQOSA-N 349.456 1.810 0 40 EDAB O=C(O)[C@@H]1CN(C[C@@H]2CCOC2)Cc2ncn(CC3CCOCC3)c21 96067861 ALBSNBSVPSHJGP-LSDHHAIUSA-N 349.431 1.330 0 40 EDAB Cc1noc(C)c1CN1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 96063382 IJMDSTJWIGGGFT-AEFFLSMTSA-N 346.431 1.938 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)s1 97231033 VIRFRAYSSLPWNB-BNOWGMLFSA-N 344.502 1.738 0 40 EDAB CC1(C)CN(C(=O)N[C@@H](CCN)C(F)(F)F)C[C@@]2(CCOC2)O1 331487083 AKRDTGISOXXMHZ-GXFFZTMASA-N 339.358 1.246 0 40 EDAB c1ccc(-n2nnnc2CN2CCO[C@@H](c3nccs3)C2)cc1 97199707 RIHLJYFDWVRUEQ-CYBMUJFWSA-N 328.401 1.692 0 40 EDAB CN1C(=O)C[C@@H](c2ccncc2)C12CCN(Cc1cnn(C)c1)CC2 96199979 WYCRKGZRUYKTMP-KRWDZBQOSA-N 339.443 1.796 0 40 EDAB O=C(c1ccc[nH]1)N1CCC[C@@]2(C[C@@H](Oc3ncccn3)CO2)C1 96073683 LBUFQLAQLSOVKP-CXAGYDPISA-N 328.372 1.647 0 40 EDAB Cc1cc(F)cc(-n2cc(NC(=O)COC[C@H]3CCCO3)nn2)c1 585124621 JTZZQHJXCQSGKT-CQSZACIVSA-N 334.351 1.849 0 40 EDAB C[C@@H](CCc1cccc(F)c1)C(=O)NCC1(C(N)=O)CCOCC1 96430587 BSZLYKGJDLWDSM-ZDUSSCGKSA-N 336.407 1.793 0 40 EDAB Cn1cc(CN2CCOC[C@@]3(CCN(Cc4cccnc4)C3)C2)cn1 96070366 SDFPXHSSIMTHRU-LJQANCHMSA-N 341.459 1.540 0 40 EDAB CS(=O)(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@H]21 247554517 WYLDITVFIMJZSM-DMDPSCGWSA-N 332.447 1.099 0 40 EDAB O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccco1)c1cnccn1 247504201 QUGJCTWPLFNNTM-XKQJLSEDSA-N 342.399 1.479 0 40 EDAB Cc1cc(-c2cccc([C@@H]3CCCN3S(=O)(=O)N(C)C)n2)[nH]n1 257202311 ALFPRSFUDSMIME-HNNXBMFYSA-N 335.433 1.723 0 40 EDAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCC[C@H]1C(N)=O 253404349 QYZWTXGXAUWICB-CABZTGNLSA-N 347.346 1.624 0 40 EDAB biogenic,in-vitro O=C(O)c1cccc(O[C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2O)c1 257265582 LZGOWFANBAPCQV-HZPDHXFCSA-N 345.326 1.788 0 40 EDAB O=C(Cc1ccsc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257265309 LYDFPANOPPMGFH-CHWSQXEVSA-N 330.400 1.593 0 40 EDAB Cc1c[nH]c([C@H]2CCCN2C(=O)Cn2c(=O)oc3ccccc32)n1 257275738 NQRLGOGDSTYILE-CYBMUJFWSA-N 326.356 1.990 0 40 EDAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3cccnc3)CC2)OC[C@]1(C)O 257247927 JBFCQFFKXIHQED-ROUUACIJSA-N 347.459 1.434 0 40 EDAB COc1ccccc1[C@H]1CN(C(=O)c2cnc(C)cn2)CCN1C 257329945 XMDDEHTWKMDLQR-MRXNPFEDSA-N 326.400 1.923 0 40 EDAB Cc1cc([C@H]2CN(C(=O)c3cnn4cccnc34)CCO2)nc(C)n1 257224503 FCCKKQHUALZFBT-OAHLLOKOSA-N 338.371 1.350 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(Cc2cncn2C)CC1 257324951 WQWTWKMPOGKNPU-UHFFFAOYSA-N 328.420 1.226 0 40 EDAB CNC(=O)c1cc(C[C@@H]2CCCN(Cc3cncs3)C2)ncn1 257281432 OPDYDNQCDUQUMR-LBPRGKRZSA-N 331.445 1.747 0 40 EDAB COCc1c(C(=O)N[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)noc1C 257221014 DNEAGKVBHOKARF-IIAWOOMASA-N 347.371 1.225 0 40 EDAB CCc1nnsc1C(=O)N1CCC[C@H]1c1cncc(CN(C)C)n1 257270607 MUWWJTQYQPPAEN-AWEZNQCLSA-N 346.460 1.929 0 40 EDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)Cc3cccs3)C2)ncn1 257328479 XFUGFGVBKGKMKA-QGZVFWFLSA-N 346.456 1.489 0 40 EDAB CNC(=O)c1cnn2c([C@H]3CCCN(c4ccccn4)C3)ccnc12 257201606 AIHRLKSFNHHPGG-ZDUSSCGKSA-N 336.399 1.868 0 40 EDAB CC(C)CC[C@@]1(C2CC2)NC(=O)N(CCN2C(=O)CCC2=O)C1=O 252478267 AHHZLZMLMHPHQT-KRWDZBQOSA-N 335.404 1.272 0 40 EDAB O=C([C@@H]1CC[C@H]1c1ccc(F)cc1)N1CC(C2CS(=O)(=O)C2)C1 530265645 ADZHGFTXWBHRML-JKSUJKDBSA-N 337.416 1.822 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2cc(C3CC3)n(C)n2)cc1 96099368 QFWFTINTURMFES-UHFFFAOYSA-N 349.412 1.563 0 40 EDAB Cn1nc(CNC(=O)Cn2c(=O)oc3ccccc32)c2c1CCCC2 96099140 MDJYDGQOGZCKOI-UHFFFAOYSA-N 340.383 1.523 0 40 EDAB Cn1cnc(C(=O)N2CC3(C2)OCC[C@H]3CCOc2ccccn2)c1 575402733 GEFDJKXDCPLFLA-CQSZACIVSA-N 342.399 1.515 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1nccc2ccccc12 585279615 WFROKOPHITUADI-IBGZPJMESA-N 341.411 1.992 0 40 EDAB CNc1cnc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)[C@@H](O)C2)nc1 585278434 DUHRXULJJNQGMK-CJNGLKHVSA-N 344.390 1.723 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)NC[C@@H]2CC2(Cl)Cl)c1F 906818666 LIDWXWFEKFVGJG-LURJTMIESA-N 342.175 1.996 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1nnc(O)n1C 585137305 RRCBJWHYEKJBQI-JSGCOSHPSA-N 344.419 1.155 0 40 EDAB COCC(=O)NCC[C@H]1CN(Cc2ccsc2)Cc2ccnn21 585112373 OHWRHFZNKDNDCF-AWEZNQCLSA-N 334.445 1.654 0 40 EDAB O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc[nH]n1 69379458 AXMDXZWHOIMXDV-UHFFFAOYSA-N 348.428 1.514 0 40 EDAB CCn1cc(CC(=O)N[C@@H](C)[C@@H]2CCN(C(=O)c3ccoc3)C2)nn1 1050021459 IXNGPQGSYKPTRO-QWHCGFSZSA-N 345.403 1.101 0 40 EDAB O=C1CCc2cc(C(=O)NCc3cccnc3-n3cncn3)ccc2N1 44943239 BXESTLXNWFKSBT-UHFFFAOYSA-N 348.366 1.477 0 40 EDAB COc1ccnc(N2CCN(c3ccc(-c4ccccn4)nn3)CC2)n1 1776009380 XZOPJMIVJQQXOJ-UHFFFAOYSA-N 349.398 1.664 0 40 EDAB CCn1nc(C(=O)N2CCC(CC(N)=O)CC2)c2ccccc2c1=O 49389564 MOFWLTITAYARSU-UHFFFAOYSA-N 342.399 1.144 0 40 EDAB Cc1n[nH]c([C@H]2CN(CC(=O)N(C)[C@@H](C)c3ccccc3)CCO2)n1 76048551 MJSQAKNZPBLQEW-XJKSGUPXSA-N 343.431 1.706 0 40 EDAB O=C1CCSc2ccc(C(=O)NCCNc3cnccn3)cc2N1 40505008 RJXVPJVNFXJUMI-UHFFFAOYSA-N 343.412 1.753 0 40 EDAB CCN(C[C@@H]1CN(Cc2nc(C3CC3)no2)CCO1)c1cccnn1 84774681 AONCEKXKHZWDMT-AWEZNQCLSA-N 344.419 1.464 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCCN(C(=O)c2ccccc2Cl)CC1 95426468 KKYVDRAMOBAPFL-HNNXBMFYSA-N 337.851 1.998 0 40 EDAB CC(C)c1nnc(CNC(=O)CCNC(=O)Cc2ccccc2)n1C 95996788 YTQQAHIDYUVADP-UHFFFAOYSA-N 343.431 1.304 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(N)cc1)c1ccc(-n2ccnn2)cc1 97376019 DSMFJPYYFCHNHO-GFCCVEGCSA-N 343.412 1.889 0 40 EDAB O=c1/c(=C/c2ccccc2)sc2n1CN(c1ccc(F)cc1)CN=2 522664 ARCJVXBWMBMXDK-YBEGLDIGSA-N 339.395 1.933 0 40 EDAB O=C(COC(=O)c1ccccc1O)NC[C@H]1COc2ccccc2O1 5216400 XFAYGXMFWFBKEP-LBPRGKRZSA-N 343.335 1.505 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3cnccn3)CC2)c1C 11543210 BCNZUEKJFYYKIW-UHFFFAOYSA-N 343.387 1.171 0 40 EDAB Cc1cc2c(cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)OCC(=O)N2 18102853 LNPWMAZJLPWNSR-PHIMTYICSA-N 338.429 1.993 0 40 EDAB Cc1cc(C(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)on1 19119888 ZUYVOEXEHFVYBW-SFHVURJKSA-N 341.367 1.780 0 40 EDAB CN1CCC(c2nnc3n2CCN(C(=O)[C@@H]2CC24CCC4)C3)CC1 19711274 ZXWFWVITYZMNGX-AWEZNQCLSA-N 329.448 1.620 0 40 EDAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(C(=O)O)nc1 604847603 SBIITQZXSCGJLT-UHFFFAOYSA-N 341.367 1.864 0 40 EDAB CC1(C)CN(C(=O)NCCC[C@H]2CCOC2)C[C@@]2(CCOC2)O1 515460552 GOUQZLLYCWXVMS-WMLDXEAASA-N 326.437 1.783 0 40 EDAB Cc1nc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc(C(F)(F)F)n1 1888850109 PIZDAOGLUZUVTJ-UHFFFAOYSA-N 342.321 1.498 0 40 EDAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 1888853190 QOBJUXGRAFLNQG-LLVKDONJSA-N 330.392 1.433 0 40 EDAB CN(C)c1ccnc(N2CCN(c3nnc(C4CC4)s3)CC2)n1 1888901111 OHACIVZCTYAFQL-UHFFFAOYSA-N 331.449 1.598 0 40 EDAB CN(C)c1ccc(N2CCN(c3ncnc4sccc34)CC2)nn1 1889136136 UFKFURNUTPJWJO-UHFFFAOYSA-N 341.444 1.874 0 40 EDAB Cc1nc2ccccc2nc1N1CCC[C@H](NS(=O)(=O)C2CC2)C1 1889139031 WIHNBMLYQODCAE-ZDUSSCGKSA-N 346.456 1.989 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc2ccccc2o1 24674300 AKQAILQGKFVADI-CYBMUJFWSA-N 336.413 1.977 0 40 EDAB Cc1noc(CN2CCN(c3ccc4nc(C)c(C)n4n3)CC2)n1 2087018059 LMTHLSKZXIVSJJ-UHFFFAOYSA-N 327.392 1.360 0 40 EDAB CCc1ncnc(N2C[C@@H]3CN(c4cc(C)ncn4)C[C@H]3C2)c1F 2087121389 GFZSUHSSTIBHIY-STQMWFEESA-N 328.395 1.849 0 40 EDAB O=C(Cc1ccc(F)cn1)N1C[C@@H]2CCN(CC3CC3)C(=O)[C@H]2C1 1565542775 QPZVUUOAVZYADT-BBRMVZONSA-N 331.391 1.480 0 40 EDAB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3ccc(F)cc3)cnc21 10250799 NTFLCFAWNGFGDF-UHFFFAOYSA-N 329.335 1.871 0 40 EDAB Cc1cccn2c(=O)c(C(=O)NCc3c(F)cccc3F)c(O)nc12 17143772 SYFQILPQDYYDOJ-UHFFFAOYSA-N 345.305 1.917 0 40 EDAB Cc1ncoc1C(=O)N[C@@H]1CCc2onc(C(=O)N3CCCC3)c2C1 2055745584 LWGHKKOIEGZKBE-LLVKDONJSA-N 344.371 1.494 0 40 EDAB O=C(N=c1cc[nH]cc1)c1nc2c(s1)CCN(C(=O)C1CC1)CC2 2055793460 HKHZILPJDXZYAS-UHFFFAOYSA-N 342.424 1.550 0 40 EDAB CNC(=O)C[C@H]1C[C@H]2CN(C(=O)CCc3ccccc3F)C[C@H]2O1 2055716083 YGKWOJXHIQINLW-SQWLQELKSA-N 334.391 1.510 0 40 EDAB Cc1cccc(CN2CCC(C(=O)N3CCC3)(n3cccn3)CC2)n1 2055772698 RJIRAYYSGXXPJD-UHFFFAOYSA-N 339.443 1.810 0 40 EDAB COCCNC(=O)C1(Nc2nccs2)CCN(CC2CC2)CC1 2055738904 ZGMRZPNNKAXTIR-UHFFFAOYSA-N 338.477 1.562 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](Oc2ccncn2)C1 575608611 GRYLENDNVJHNKJ-GFCCVEGCSA-N 338.389 1.314 0 40 EDAB CN(c1ncccn1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 585593387 BLJCQRWBMNQTQW-UHFFFAOYSA-N 336.403 1.507 0 40 EDAB O=C(NCCn1nc([C@@H]2CCNC2)c2nccnc21)[C@@H]1CC=CCC1 19404428 POHXILHRTPYKRY-ZIAGYGMSSA-N 340.431 1.376 0 40 EDAB O=C(NCc1nnc2cc(C(F)(F)F)ccn12)NC[C@H]1CCCO1 225808139 VOYVSTFOSZWBIC-SNVBAGLBSA-N 343.309 1.726 0 40 EDAB CCOCc1ccccc1CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 40072325 FZGHQQIMZDFBNO-KBPBESRZSA-N 342.461 1.667 0 40 EDAB NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c2ncccc12 30333060 XSGJLOANVAYOFN-GFCCVEGCSA-N 337.376 1.402 0 40 EDAB O=C(NCCCN1CCCC1=O)NC[C@H](c1ccco1)N1CCCC1 40476275 KENFWOGPNPDOAV-OAHLLOKOSA-N 348.447 1.728 0 40 EDAB COc1ccc(OC[C@@H](O)Cn2nc(-c3ccco3)oc2=O)cc1 40496407 AZVSDFWJKFDGAR-NSHDSACASA-N 332.312 1.545 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccnn1C1CCCC1 40457574 YQSHWOYAQNBGMO-KBPBESRZSA-N 342.399 1.888 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nncn3C)C2)cc1F 40527199 JPRWDJBGGBRMHT-LBPRGKRZSA-N 338.408 1.831 0 40 EDAB CCn1cnnc1CNC(=O)c1ccccc1OC[C@@H]1CCCO1 40535050 IBNIEQGOOHJUCM-ZDUSSCGKSA-N 330.388 1.786 0 40 EDAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)n(C)n1 40512295 DIRRYYXHMDABOR-NSHDSACASA-N 342.355 1.449 0 40 EDAB CCOC(=O)N1CCN(C(=O)Cn2ccc3cccc(OC)c32)CC1 32093060 LVFPMRILNZQMOK-UHFFFAOYSA-N 345.399 1.951 0 40 EDAB Cc1cccc(C)c1-n1nnnc1C(C)(C)N1CCN(N=O)CC1 20790279 ABSQHHIGECLLBT-UHFFFAOYSA-N 329.408 1.813 0 40 EDAB O=C(NCCCN1CCN(c2ncccn2)CC1)c1ccc(Cl)o1 32334006 YHWAKOXZOARNQA-UHFFFAOYSA-N 349.822 1.665 0 40 EDAB CN(C)C(=O)C1(CNC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2CO)CCCC1 101815230 HUJYETVFFSOQFN-AJNGGQMLSA-N 337.464 1.341 0 40 EDAB C[C@H](C(=O)NCc1cccs1)N1CCC(N2CCNC2=O)CC1 52216569 OLIOJSURWSQTFQ-GFCCVEGCSA-N 336.461 1.242 0 40 EDAB NC(=O)C1(CNC(=O)Cc2csc(-c3ccco3)n2)CCOCC1 52744202 ZSXQDISXZWVGJJ-UHFFFAOYSA-N 349.412 1.344 0 40 EDAB CC(=O)c1cccc(-n2nnn([C@@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)c1 103008379 CQTRXPWTCMYNJI-BNOWGMLFSA-N 346.368 1.256 0 40 EDAB Cn1ncc2c(=O)n(CCC(=O)N3CC[C@@H]4CCCC[C@H]4C3)cnc21 41800964 MBBHNTLEMSCBKB-KBPBESRZSA-N 343.431 1.559 0 40 EDAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1=COCCO1 23078543 CAAIRNQAYIPPHQ-UHFFFAOYSA-N 344.289 1.991 0 40 EDAB O=c1[nH]c(CCN2CCN(CC(F)(F)F)CC2)nc2ccccc12 54173134 MTLCJTNXYKYJBB-UHFFFAOYSA-N 340.349 1.646 0 40 EDAB COc1cc(S(=O)(=O)N2CCCCCC2)ccc1-n1cnnn1 414808 IANQVUKPSLMWSM-UHFFFAOYSA-N 337.405 1.236 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)N1CCCCC1 42675456 YSTMEJMFYGNIOK-AWEZNQCLSA-N 349.460 1.991 0 40 EDAB Cn1c(=O)c2cc(C(=O)N3CCc4ccccc43)sc2n(C)c1=O 12422766 ADFJMANELYSHAM-UHFFFAOYSA-N 341.392 1.502 0 40 EDAB O=C(CCn1nc2ccccn2c1=O)Nc1ccc(-n2nccn2)cc1 78876321 KAQNWPCCYOSZGV-UHFFFAOYSA-N 349.354 1.106 0 40 EDAB CS[C@H]1CC[C@@H](N(C)C(=O)CN2CCN(c3ccccn3)CC2)C1 78966641 CRSSXCLDFGJUDY-CVEARBPZSA-N 348.516 1.946 0 40 EDAB CS(=O)(=O)CCNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 78985168 RVHXYFNDRYQHKG-OAHLLOKOSA-N 342.436 1.341 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 42871767 KWNYCGSCWVAZJL-HIFRSBDPSA-N 338.429 1.729 0 40 EDAB CCn1nccc1[C@H](C)NC(=O)CCS(=O)(=O)c1ccccc1 2809441 SNTOLILYHDBWGR-ZDUSSCGKSA-N 335.429 1.944 0 40 EDAB CC(=O)c1csc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n1 106069038 JKWDLDJHVLCUSI-UHFFFAOYSA-N 328.357 1.503 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2nnc3ccccn23)C1 24750163 JFBNLNDGUHYIKR-UONOGXRCSA-N 349.460 1.843 0 40 EDAB CC(=O)Nc1ccc(O)c(C(=O)NCC(=O)NCc2ccccc2)c1 55249829 UOPYGBCKXFDRCW-UHFFFAOYSA-N 341.367 1.397 0 40 EDAB CCOc1cc(CNc2nnnn2C)cc(Br)c1OC 8253634 BNXZIOLZBLRLQU-UHFFFAOYSA-N 342.197 1.992 0 40 EDAB O=C(NCCN1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1)C1CCC1 107497675 ZEBMODGFKQBCAV-XIRDDKMYSA-N 333.476 1.483 0 40 EDAB C[C@@H]1CN([C@H](C)CNC(=O)NCc2nnc3ccccn23)C[C@@H](C)O1 107573605 COGZEMNBEXJYOL-MGPQQGTHSA-N 346.435 1.026 0 40 EDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOC[C@@H]2C)c1 26845396 OMPFCHDDLBWXOD-VIFPVBQESA-N 333.793 1.536 0 40 EDAB COC(=O)CNC(=O)Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 44586308 BFXGCHJRMMGEBO-CYBMUJFWSA-N 330.384 1.813 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)C1=NO[C@H](c2ccccc2)C1 58282284 CYDCKPBSAQOTGH-RDJZCZTQSA-N 337.379 1.717 0 40 EDAB CCc1ccc(O)c(C(=O)NC2CCN(S(=O)(=O)CC)CC2)c1 58218513 CCHFKSQHBPKQHU-UHFFFAOYSA-N 340.445 1.499 0 40 EDAB O=C(c1cc(F)ccc1F)N1CCN(Cc2nnnn2C2CC2)CC1 58295875 KGXXDYMMGALXDA-UHFFFAOYSA-N 348.357 1.244 0 40 EDAB CCN1CCN(CCC(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 58245151 AUEPSGMHUFCVFJ-OAHLLOKOSA-N 349.475 1.909 0 40 EDAB C[C@H]1CN(Cn2nc3n(C)c(=O)c4ccccc4n3c2=S)CCO1 12534730 PTKQUQXDTKVXFX-NSHDSACASA-N 345.428 1.395 0 40 EDAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN([C@H]2CCOC2=O)CC1 44936483 IHPZEDUDUVMZNA-HIFRSBDPSA-N 342.399 1.731 0 40 EDAB C[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1nnc2n1CCC2 44934588 AOEVJLVVTBOOBS-QMMMGPOBSA-N 328.298 1.317 0 40 EDAB CCN1C[C@@H](C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)CC1=O 44913368 KSPZHHDFYMZZQX-KGLIPLIRSA-N 341.415 1.304 0 40 EDAB Cc1nc(C(=O)NC[C@H]2CCN(C3CC3)C2)nn1-c1ccc(F)cc1 44934304 HBQBVQPFGVOPEP-CYBMUJFWSA-N 343.406 1.929 0 40 EDAB CCOCCCNC(=O)/C=C/c1ccc(CN(C)S(C)(=O)=O)o1 20450026 DGMBZVRFRYQQNW-CMDGGOBGSA-N 344.433 1.227 0 40 EDAB COc1cccc(-n2nnc(C(=O)N[C@H](C)[C@@H]3CCCO3)c2C)c1 27907666 AWPXOLAZJFLNQT-ABAIWWIYSA-N 330.388 1.882 0 40 EDAB CC(C)[C@@H](CNC(=O)c1ccc(N2CCCC2)nc1)N1CCOCC1 58428998 UEGMBTAKUQUWIX-QGZVFWFLSA-N 346.475 1.768 0 40 EDAB CC[C@@H](NCc1cccc(C(=O)NC)c1)C(=O)Nc1cc(C)on1 28374927 DPBZBKQZIXUBSJ-CQSZACIVSA-N 330.388 1.850 0 40 EDAB C[C@@H]1CN(CC(=O)Nc2ccnn2Cc2ccccc2)C[C@@H](C)O1 28913841 SDASZAYAJJISOH-HUUCEWRRSA-N 328.416 1.979 0 40 EDAB CCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 52411849 PWUXHHVWJHSJLQ-SNVBAGLBSA-N 348.852 1.884 0 40 EDAB CC(C)CN1C[C@H](C(=O)Nc2cccc(-n3cnnn3)c2)CC1=O 29781245 PLUQHZYPVPMBKJ-GFCCVEGCSA-N 328.376 1.105 0 40 EDAB C[C@H](OC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C(N)=O 12716511 QDBKVWKGLXTHOM-JTQLQIEISA-N 334.759 1.581 0 40 EDAB COC(=O)c1sccc1NC(=O)CN1C(=O)c2ccccc2C1=O 8980359 XTNMNZAQPYQMJI-UHFFFAOYSA-N 344.348 1.769 0 40 EDAB CCCN1C[C@@H]2[C@H](NC(=O)c3cccs3)CCS(=O)(=O)[C@H]2C1 306123217 AHOCAHIUZXIUKU-BZPMIXESSA-N 342.486 1.375 0 40 EDAB CCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 3905461 YFTJDKJZUDIPTE-ZXFNITATSA-N 331.368 1.905 0 40 EDAB biogenic COc1ccc(Cl)cc1NCC(=O)NCCN1CCOCC1 63854053 FNIDMRGAFWQXGF-UHFFFAOYSA-N 327.812 1.209 0 40 EDAB COC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 408612100 YIRWFTOVGWQVGA-CYBMUJFWSA-N 340.445 1.544 0 40 EDAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccncc1 13690560 MFARTDGFMWWYPO-UHFFFAOYSA-N 336.351 1.755 0 40 EDAB Cc1cc(Cl)c(C(=O)NC[C@@H](Cc2cnn(C)c2)C(N)=O)cc1C 96004589 TUPSDTGEWUSWQC-CYBMUJFWSA-N 348.834 1.764 0 40 EDAB CC1(C)CN(C(=O)CCn2nc(-c3cccs3)oc2=O)CCO1 65493779 NALIHTMGJCHRNP-UHFFFAOYSA-N 337.401 1.592 0 40 EDAB O[C@@H](CNCc1cnc(N2CCOCC2)nc1)c1cccc(F)c1 65467476 CIHMKLDCGJDAML-INIZCTEOSA-N 332.379 1.276 0 40 EDAB CCCC[C@H]1CCC[C@@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O 65513661 SOXLMNJBUICKOJ-JSGCOSHPSA-N 331.420 1.605 0 40 EDAB C[C@@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(CCC(N)=O)C1=O 65515051 PHWJHZOEEIHZIE-ZDUSSCGKSA-N 345.277 1.228 0 40 EDAB O=C1COc2c(cccc2C(=O)N2CCC[C@@H](n3cccn3)C2)N1 65624954 XZAVUMMLYOPMOP-GFCCVEGCSA-N 326.356 1.691 0 40 EDAB Cc1ccc(NC[C@@H]2CCN(CCCNS(C)(=O)=O)C2)nc1 65608332 DXPSVIMAEDNFPG-AWEZNQCLSA-N 326.466 1.063 0 40 EDAB COC(=O)[C@@H](NC(=O)/C=C/c1cn(Cc2ccccc2)nn1)C(C)C 14200276 WPFGEKDOYCYWJU-FVNWOWOISA-N 342.399 1.653 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2ccc(-n3cnnn3)cc2)CC1 9742495 PMVBSLYNJKQSBN-UHFFFAOYSA-N 344.375 1.013 0 40 EDAB C[C@H]1CN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C[C@H](C)O1 14914270 SYJBGNDNOPSLRF-QWRGUYRKSA-N 332.383 1.946 0 40 EDAB Cn1nnnc1SCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 4807577 KBGHPKAYRHBPJN-UHFFFAOYSA-N 329.288 1.262 0 40 EDAB COC(=O)N1CCC(NCc2ccccc2N2CCOCC2)CC1 66989548 ATBBUHHOEYXBAJ-UHFFFAOYSA-N 333.432 1.844 0 40 EDAB O=C(CSc1ncccn1)N1CCN(C(=O)c2ccco2)CC1 7007705 SVPBUEMVUUHXNE-UHFFFAOYSA-N 332.385 1.146 0 40 EDAB COc1c(C(=O)NCc2nc[nH]n2)sc(C)c1Br 80185161 ZMNFWGYEKGBPGH-UHFFFAOYSA-N 331.195 1.876 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 84012136 AHSRCOQROHUTHT-DYVFJYSZSA-N 329.400 1.924 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)N2CCS(=O)(=O)CC2)cc1 71803886 VULZPFXYLFYNFF-UHFFFAOYSA-N 340.445 1.456 0 40 EDAB C[C@H](CNC(=O)Nc1ccc(Cn2cccn2)cc1)N1CCOCC1 69201254 NBTVXSMNJTVYPT-OAHLLOKOSA-N 343.431 1.774 0 40 EDAB C[C@H](CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 69459009 PXWTVNRDLZHBOD-ZBFHGGJFSA-N 338.473 1.968 0 40 EDAB CCN(CC)C(=O)CCNC(=O)CCN(Cc1ccccc1)C(C)=O 69441670 OWVRZBGFYKLZRL-UHFFFAOYSA-N 347.459 1.800 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2noc3c2CCCC3)CC1 69514123 QFAPJWRCLYPHQP-AWEZNQCLSA-N 346.431 1.108 0 40 EDAB CN(CCNC(=O)Cn1nnc2ccccc21)C(=O)OC(C)(C)C 69602067 XBUDZZDFLDLEAJ-UHFFFAOYSA-N 333.392 1.414 0 40 EDAB COc1ccccc1C(=O)N1CCN(C(=O)c2cccn2C)CC1 69629610 GRCCFRXALPNXBR-UHFFFAOYSA-N 327.384 1.632 0 40 EDAB CCCNC(=O)CNS(=O)(=O)c1ccc(Br)s1 8514704 OUQQBKDKWDYKQS-UHFFFAOYSA-N 341.252 1.315 0 40 EDAB COCCCC(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 69780292 XYYWSQHXOUIKJT-UHFFFAOYSA-N 342.443 1.943 0 40 EDAB O=C(CN[C@@H]1CCCN(c2cccnn2)C1)Nc1ccc(Cl)cn1 69738396 MTGZAHSDQDDQFI-CYBMUJFWSA-N 346.822 1.722 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 69770210 NJLQUFNLWRMCEZ-UHFFFAOYSA-N 332.791 1.590 0 40 EDAB Cc1nc(-c2cccs2)sc1C(=O)NCCNS(C)(=O)=O 29681806 WXNJPISDOGWJHV-UHFFFAOYSA-N 345.471 1.459 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccccc1-n1cnnn1 69815413 DUEVJWCRGWCJAV-CVEARBPZSA-N 326.404 1.361 0 40 EDAB Cn1cnnc1CNC(=O)CSc1cccc(Br)c1 95452060 NBUQGOHBSLEKLN-UHFFFAOYSA-N 341.234 1.986 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cn[nH]c3)C2)cc1 97069144 MUSHZKAMWCHCHN-ZDUSSCGKSA-N 348.428 1.758 0 40 EDAB Cc1cc(C)cc(C2=CCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)c1 97057787 FVZNWKBSDZBRPE-UHFFFAOYSA-N 339.439 1.990 0 40 EDAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ncnn1C 97046876 QOECPWWGPUSHGY-SSDOTTSWSA-N 330.314 1.933 0 40 EDAB O=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)[C@H]1COc2ccccc2C1 72275321 JDVZVQDJRRNDBR-LLVKDONJSA-N 337.335 1.406 0 40 EDAB O=C(NC[C@]1(O)CCCc2ccccc21)c1cccc(-n2cnnn2)c1 72298137 NDMVQTLOHSAUJF-LJQANCHMSA-N 349.394 1.616 0 40 EDAB COc1ccc(OCCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 72269218 FVPDFIZWOGPCAH-MSOLQXFVSA-N 348.443 1.522 0 40 EDAB Cc1nn(C)c2ncc(C(=O)N3CCOC[C@@H]3c3cccn3C)cc12 97144045 DOQSHCSFNBRBDW-MRXNPFEDSA-N 339.399 1.829 0 40 EDAB CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 97107374 YIOIEIDJAFMNAE-RDJZCZTQSA-N 336.457 1.806 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1nn(C)c(=O)c3ccccc13)C2 97198820 PCFLLGOWHJTBRE-GFCCVEGCSA-N 337.383 1.183 0 40 EDAB C[C@@H]1N=C(O)c2ccccc2N(CC(=O)NCC2CCOCC2)C1=O 72325875 QVFRMTQKCZZYMD-LBPRGKRZSA-N 345.399 1.269 0 40 EDAB biogenic Cc1cc(C)n2nc(C(=O)N3CCC[C@H](c4cc(C)[nH]n4)C3)nc2n1 72301159 CKBURHBLVKFXCC-ZDUSSCGKSA-N 339.403 1.792 0 40 EDAB COC(=O)CC1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1 72406255 XBIBWVSYSNOJJF-UHFFFAOYSA-N 342.395 1.954 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)OC1CCN(C=O)CC1 95461446 FRGXTLWWJSEXPS-CYBMUJFWSA-N 326.393 1.550 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCCSCC(=O)O)[C@H]1c1cccs1 95425378 SKKSVITUDFMIOH-ZANVPECISA-N 342.442 1.202 0 40 EDAB O=c1[nH]c(NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)nc2ccccc12 97994994 LRRAKOSRXBWUNL-CJNGLKHVSA-N 344.415 1.072 0 40 EDAB O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCC[C@@H]1CO 95987625 WPKHODSPSHFHCP-BYCMXARLSA-N 326.343 1.961 0 40 EDAB C[C@@]1(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)CCCc2ccccc21 95997872 LDUYMXCOOUIGJE-GOSISDBHSA-N 339.399 1.055 0 40 EDAB COc1cccc(NC(=O)NC2CCN([C@@H]3CCOC3=O)CC2)c1 95996708 YXHDVEGFTFQIRJ-OAHLLOKOSA-N 333.388 1.597 0 40 EDAB Cn1ccc(S(=O)(=O)NCCNC(=O)c2c[nH]c3ccccc23)c1 95976252 XAKKOUVRUGZBMH-UHFFFAOYSA-N 346.412 1.215 0 40 EDAB COc1ccc(-c2nnc(CN3CCC[C@@H]3C(=O)N(C)C)o2)cc1 95946696 BCLJNQDZVYBBGY-CQSZACIVSA-N 330.388 1.798 0 40 EDAB CCc1onc(C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 89394884 WOIYSBOPWILRIX-GFCCVEGCSA-N 328.372 1.928 0 40 EDAB COC(=O)C1(N(C)C(=O)c2ccc(N3CCNC3=O)cc2)CCCC1 89310212 WCTKMIOXFABICL-UHFFFAOYSA-N 345.399 1.774 0 40 EDAB O=C(NCc1ccsc1)[C@@H]1COCC(=O)N1Cc1ccccc1 89834824 IUVXITAZTJLXQP-HNNXBMFYSA-N 330.409 1.792 0 40 EDAB Cc1cc(CN2CCN(CCS(C)(=O)=O)CC2)c2ccccc2n1 89934239 ZCYUCZPWLYZPDR-UHFFFAOYSA-N 347.484 1.705 0 40 EDAB CCn1cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cn1 75582002 WMLITTZUKWWZFX-UHFFFAOYSA-N 331.401 1.949 0 40 EDAB NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1nnc(-c2ccccc2)s1 75500539 RJFUATFXOXLPOA-GHMZBOCLSA-N 331.401 1.981 0 40 EDAB COc1ccc(-c2ccc(CNC(=O)[C@H]3CNCCN3C)cc2)cc1 1548547022 KJUOTAAXTVJFKE-LJQANCHMSA-N 339.439 1.882 0 40 EDAB CCCNC(=O)[C@H](C)N(c1ccc(OCC)cc1)S(C)(=O)=O 409117032 WCZHMTHQNXZBEI-LBPRGKRZSA-N 328.434 1.766 0 40 EDAB CCc1nc(CNS(=O)(=O)c2cnn(CC)c2)ccc1C(=O)O 548221635 ZOJUUEDXKNVORP-UHFFFAOYSA-N 338.389 1.037 0 40 EDAB CC(C)(C)C(=O)NC1CCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1 1004020326 DDXKLGGCURWVSP-LBPRGKRZSA-N 349.397 1.776 0 40 EDAB NC(=O)[C@@H](c1ccc(F)cc1)N1CC[C@H](NC(=O)Cc2ccco2)C1 1015882897 ZMUJTRFIUNUBON-WMLDXEAASA-N 345.374 1.378 0 40 EDAB CC(C)COC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C)c1ccccc1 409003932 VZDMCPSAQFFVTB-OCCSQVGLSA-N 335.404 1.490 0 40 EDAB CN1C(=O)CO[C@H](C(=O)N2CCOCC2)[C@H]1c1ccc(Cl)cc1 72241314 MMTLUNSZANOXHD-CABCVRRESA-N 338.791 1.097 0 40 EDAB CC(C)[C@@H]1CN(C(=O)N[C@@H](C)CN2CCN(C)CC2)CCS1 74134060 GWWVTCNMXVUKKX-GJZGRUSLSA-N 328.526 1.405 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(COC)C(=O)O 218448093 HKTMNCQMPQOEMH-OUCADQQQSA-N 332.805 1.958 0 40 EDAB COc1cccc(OCC(=O)N2CC[C@@H](Oc3cnsn3)C2)c1 670433377 WLFZMHWDCHBCAF-CYBMUJFWSA-N 335.385 1.605 0 40 EDAB Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCN(CC(N)=O)C3)n2)n1 72383088 IEMYYCIGCZVQIJ-ZDUSSCGKSA-N 341.419 1.210 0 40 EDAB C[C@H]1C[C@@H]1CNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 32386896 MAEDGNFRPKLRME-NWDGAFQWSA-N 335.429 1.353 0 40 EDAB Cc1c(S(=O)(=O)NC[C@@H]2CNCCCO2)c2ccccc2n1C 564718940 XSOKVZDLWGTFCN-ZDUSSCGKSA-N 337.445 1.144 0 40 EDAB CCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)COC 217415121 HBVMUBUDVYHOCV-JTQLQIEISA-N 330.406 1.520 0 40 EDAB Cn1cccc1-c1noc(CNC(=O)c2noc3c2CCCC3)n1 225766475 QRCAHDMDWZNUNK-UHFFFAOYSA-N 327.344 1.872 0 40 EDAB COCCCNC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1 47202736 QEQMJESMDVBXED-SDNWHVSQSA-N 332.356 1.600 0 40 EDAB C=CCn1cc(CNS(=O)(=O)c2c(C)csc2C(=O)O)nn1 568261685 LNILVDGQZZMGSB-UHFFFAOYSA-N 342.402 1.011 0 40 EDAB O=C1N[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 40166556 FGWICQUBDWIKGF-VHSXEESVSA-N 331.191 1.144 0 40 EDAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCN(C)CC1 225435355 JMLBGVGPFBXIJO-NSHDSACASA-N 333.363 1.922 0 40 EDAB biogenic,in-vitro O=C(NCCN1CCOCC1)NC[C@@H]1CCN(Cc2ccccc2)C1 193924860 IUOLXZVLVWXSKG-SFHVURJKSA-N 346.475 1.140 0 40 EDAB Cc1c(S(=O)(=O)NCc2nc(N(C)C)no2)c2ccccc2n1C 225449460 BGAIYTWMQMIWGM-UHFFFAOYSA-N 349.416 1.414 0 40 EDAB O=C(Cn1cccc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225729042 IUHUDYGZALYDKC-UHFFFAOYSA-N 339.321 1.646 0 40 EDAB Cc1cncc(NC(=O)C(=O)N(C)[C@H]2CCCc3c2cnn3C)c1 131300451 CTSUAOCZVHBWKV-AWEZNQCLSA-N 327.388 1.598 0 40 EDAB Cc1nnc(CN(C)C(=O)[C@@H](CC(C)C)N2CCCCC2=O)n1C 87357077 HLYSBYQDBPHXNC-CQSZACIVSA-N 335.452 1.509 0 40 EDAB C[C@]1(O)CCN(C(=O)Cc2cccc(I)c2)C1 95415598 VWMCLGYZOWUUGA-ZDUSSCGKSA-N 345.180 1.817 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl 96459684 HOIYSJNEHUCKEA-ZCFIWIBFSA-N 343.207 1.859 0 40 EDAB CNC(=O)NC[C@H]1CCC2(CCN(Cc3nccs3)CC2)CO1 96224959 QGUVIQOTASJWJI-CYBMUJFWSA-N 338.477 1.833 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101360 NAIPXCJKLWSVPB-DHSIGJKJSA-N 346.383 1.828 0 40 EDAB COC(=O)[C@@H](C)CNc1nn2c(C(F)(F)F)nnc2c(C)c1C 92641430 VJMLSMGIPYQAOV-LURJTMIESA-N 331.298 1.981 0 40 EDAB CN1[C@H](COCC2CC2)CCC12CCN(C(=O)c1cnn(C)c1)CC2 96209271 CMKRJJVQQQRDBG-KRWDZBQOSA-N 346.475 1.916 0 40 EDAB COCCN1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 96261852 RJVMLBQCNGMLNE-QGZVFWFLSA-N 336.457 1.648 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)CCn2ccnn2)cc1 583616130 MIHUDYYNGXNGCJ-FUHWJXTLSA-N 344.415 1.576 0 40 EDAB COCCO[C@@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)CCN2C1 96063748 GGYCECBMXHZSPK-JKSUJKDBSA-N 334.416 1.337 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccccn1)C2 96039563 IUALFUOKFZVZTC-PKOBYXMFSA-N 347.459 1.671 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)C1CCN(c3ncccn3)CC1)C2 97198733 PFJVVYDJMOGAQI-HNNXBMFYSA-N 340.431 1.329 0 40 EDAB COCCNc1ccnc([C@@H]2COCCN2Cc2scnc2C)n1 96220481 ZEVBWQYCVFGKRE-ZDUSSCGKSA-N 349.460 1.873 0 40 EDAB c1cnc(N2CCOC[C@]3(CCCN(c4nncs4)C3)C2)cn1 96229142 RPSOCARODYQZOP-OAHLLOKOSA-N 332.433 1.452 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)CO[C@@H](COc1ccccn1)C2 96106238 TXJVCEWEUSNOGW-CQSZACIVSA-N 340.445 1.681 0 40 EDAB O=C(O)[C@]12CCCN(Cc3ccco3)C[C@H]1CN(c1nncs1)C2 96064286 QZBNNTBMFDEDKZ-LRDDRELGSA-N 348.428 1.934 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2c(C)nc3sc(C)cn23)C1 97235623 RRWIQZLBKBDAJO-LBPRGKRZSA-N 342.490 1.526 0 40 EDAB O=C(C[C@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2O1)N1CCC1 96215318 CFNNAJJSBGNFOK-HDMKZQKVSA-N 344.411 1.627 0 40 EDAB O=C([C@@H]1Cc2ccccc2CN1)N1CCC[C@H](N2CCCC2=O)C1 95426507 MABAWODDJZQIMS-IRXDYDNUSA-N 327.428 1.314 0 40 EDAB Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)[C@@H]2CCOC2)cs1 96186382 YDSNGQVIFWZIJM-BPLDGKMQSA-N 349.456 1.580 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 96209585 AHAGRAOAZILBLG-INIZCTEOSA-N 333.432 1.310 0 40 EDAB O=C(c1ccncn1)N1Cc2cncn2C[C@H](COCC2CCC2)C1 96207821 DGHHEFOMOBQCAV-OAHLLOKOSA-N 341.415 1.762 0 40 EDAB COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccccc2)cc1 242661136 CTHFLMWUGVMHTI-UHFFFAOYSA-N 348.424 1.332 0 40 EDAB Cc1nccc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257268513 MMALAZXUXWJAAM-OAHLLOKOSA-N 325.372 1.666 0 40 EDAB C[C@@H](C(=O)NCCc1ccco1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 585121378 NNPUTNJAWFGBDN-OCCSQVGLSA-N 340.420 1.802 0 40 EDAB CCOc1ccccc1CN1CCN(C(C)=O)C[C@H](C(=O)N(C)C)C1 257292756 QMVCKICGVKHSEX-QGZVFWFLSA-N 347.459 1.454 0 40 EDAB CNCC(=O)N1CC[C@@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 257274039 NJHJSRSTGGEUOB-CYBMUJFWSA-N 326.404 1.459 0 40 EDAB COCC(=O)N1CC2(CCN(Cc3ccccn3)CC2)C[C@@]1(C)CO 257290626 QDRBZWCJVONNDA-SFHVURJKSA-N 347.459 1.294 0 40 EDAB Cc1nc(CC(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)cs1 257284522 PCZVJWQMYXATQZ-HOTGVXAUSA-N 347.440 1.820 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2snnc2C(C)C)CCO1 257260573 LDLFUBDQPFJYRN-JTQLQIEISA-N 348.432 1.707 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@@H](c2nccnc2N(C)C)C1 257281499 OPMRXYTVVXKMDB-LLVKDONJSA-N 348.432 1.170 0 40 EDAB CN(C(=O)c1ccc(Cc2ccccc2)nc1)[C@@H]1CCS(=O)(=O)C1 257241549 HYLFIHBISQJMNQ-QGZVFWFLSA-N 344.436 1.932 0 40 EDAB O=S(=O)(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1ccccc1F 257342462 ZOSDARFBDMQOSN-UMVBOHGHSA-N 328.409 1.092 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccncc3)CCN2C)c1 257273289 NFZUTERDDFNYCV-KRWDZBQOSA-N 338.411 1.570 0 40 EDAB CN(C)C(=O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCN1C 257275515 NPSHZMWJSSPBCK-HNNXBMFYSA-N 332.379 1.151 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCO[C@H](Cc2cccnc2)C1 257234176 GSLWTLJZDUTPOU-QGZVFWFLSA-N 332.425 1.855 0 40 EDAB Cc1cccc(N2CCC[C@H](N(C)C(=O)c3cc(C)nc(O)n3)C2)n1 257259264 KXNXADIPQQZWEM-AWEZNQCLSA-N 341.415 1.935 0 40 EDAB CN(C(=O)CCCN1CCCC1=O)[C@@H]1CCCN(c2ccccn2)C1 257249195 JHFWSDQLYWAKCU-MRXNPFEDSA-N 344.459 1.911 0 40 EDAB O=C(O)COc1ccccc1CN1CCO[C@H](c2cnccn2)C1 257202434 ALUBWCTXIYQPII-INIZCTEOSA-N 329.356 1.514 0 40 EDAB CC(=O)NCc1cnc([C@@H]2CCN(C(=O)Cc3csc(C)n3)C2)[nH]1 257327064 WZTLKJUXBCVPHK-GFCCVEGCSA-N 347.444 1.369 0 40 EDAB CCc1noc(CCC(=O)N2CCC[C@@H]2c2cncc(NC)n2)n1 257299594 RQSGXPZQZNSXOQ-GFCCVEGCSA-N 330.392 1.760 0 40 EDAB Cn1nccc1-c1ccc(C[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 257228267 FTFOBXHENSYEOZ-AWEZNQCLSA-N 334.445 1.696 0 40 EDAB CNCCOc1cccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 257204744 AWDUXIQNCDNJHY-WMZOPIPTSA-N 334.416 1.041 0 40 EDAB C[C@@H]1C[C@H](C(=O)Nc2cccc(C[S@@](C)=O)c2)O[C@H]1C(=O)O 600865426 AILZXFJBLQKHKV-OENZRLRTSA-N 325.386 1.382 0 40 EDAB Cc1cc(S(=O)(=O)N[C@]2(CC(=O)O)CCCOC2)c(C)s1 1610477945 QXWXBSPWPFYNMM-ZDUSSCGKSA-N 333.431 1.667 0 40 EDAB CC(C)(C)OC(=O)C1(C(=O)NCc2nnc(N)o2)C(C)(C)C1(C)C 597533221 XSZBKRDRSGWLIW-UHFFFAOYSA-N 338.408 1.662 0 40 EDAB COc1ncc(NC(=O)Nc2ccc3c(c2)OCCO3)c(OC)n1 96098725 OWJIPIDYFKUYOI-UHFFFAOYSA-N 332.316 1.909 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCc2sccc2C1 26708587 WVZALUOCOFHNLC-LBPRGKRZSA-N 328.459 1.447 0 40 EDAB CCOc1ncccc1C(=O)N1CC[C@@H](Oc2ncc(F)cn2)C1 390827339 GGWCRGFOWMKHHJ-GFCCVEGCSA-N 332.335 1.703 0 40 EDAB Cc1nc[nH]c1C(=O)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 575403537 GDLJOBSLYYPWPZ-ZDUSSCGKSA-N 330.413 1.892 0 40 EDAB CN(C)c1cnc(C(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)cn1 679445320 ZRTFUYMIKCWJON-GFCCVEGCSA-N 342.403 1.823 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(CC(=O)Nc3cccnc3)CCO2)n1 69349933 KEJUQZKISJEFNO-MRXNPFEDSA-N 329.404 1.234 0 40 EDAB COc1cccc2c1OC[C@H](NC(=O)NCCc1ccccn1)C2 69669465 SDVMQWBBRCFYDC-OAHLLOKOSA-N 327.384 1.936 0 40 EDAB c1ccc2oc(CN3CCN(c4ccc5nncn5n4)CC3)nc2c1 69877242 TVCJUTARBAEXPO-UHFFFAOYSA-N 335.371 1.588 0 40 EDAB CCN(CCNS(=O)(=O)C1CCOCC1)C(=O)OC(C)(C)C 71856550 DQEKIKRROBXKFP-UHFFFAOYSA-N 336.454 1.342 0 40 EDAB CNC(=O)C1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 40139305 YSUYAFGDIGPDEY-UHFFFAOYSA-N 332.372 1.645 0 40 EDAB CCN(CCCNc1nccc(C(F)(F)F)n1)S(C)(=O)=O 59420521 XKFNOAAWHPYIAQ-UHFFFAOYSA-N 326.344 1.579 0 40 EDAB Cc1ccnc(C(=O)NCCNc2cc(N3CCCC3)nc(C)n2)n1 56906839 JOESAPYAMHYKCC-UHFFFAOYSA-N 341.419 1.326 0 40 EDAB Cc1nnsc1C(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 56921717 VJFQIGACIAXYQJ-LLVKDONJSA-N 338.458 1.399 0 40 EDAB O=C(NCc1ccc2c(c1)OCCO2)N[C@@H]1c2ccccc2C[C@@H]1O 57003539 XPNJCUXYGXONDE-MAUKXSAKSA-N 340.379 1.915 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)c1cc(Cl)ccc1-n1cnnn1 57097951 YHCWWTKBZJQNSR-SNVBAGLBSA-N 331.767 1.331 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NCCCN3CCCC3=O)nn2)n1 75163943 PZEMDNAMVKGCGV-UHFFFAOYSA-N 342.403 1.021 0 40 EDAB CCCNC(=O)CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 77522536 GKFBJWNRVQDWAY-MRXNPFEDSA-N 346.475 1.819 0 40 EDAB CCN1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC1 60356777 IDTJHNROAVZLQB-UHFFFAOYSA-N 346.836 1.453 0 40 EDAB O=C(C[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 85482899 GWGMUSDXAHDTDD-HUUCEWRRSA-N 335.425 1.685 0 40 EDAB C[C@@H]1COCCN1S(=O)(=O)c1cc(F)ccc1Br 89941375 NFIOIFJUEJIGCF-MRVPVSSYSA-N 338.198 1.998 0 40 EDAB O=C(O)C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)CCO1 91294015 OMHSRJZLUGASDB-SECBINFHSA-N 337.756 1.343 0 40 EDAB COCc1ccc(CNC(=O)C[S@@](=O)c2ccc(C)cn2)cc1 97228166 YZUODELZNREZIE-QHCPKHFHSA-N 332.425 1.960 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)Cc1csc(N2CCCC2=O)n1 42535317 KKEXHORYMXQDMR-NSHDSACASA-N 333.417 1.214 0 40 EDAB Cc1c(Br)cccc1C(=O)NCCN1CCNCC1 88441925 QOSICOUZNYNPRN-UHFFFAOYSA-N 326.238 1.393 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(F)c2)NC(=S)N1 5864577 VBPNPIZJSAWCPQ-AWEZNQCLSA-N 335.404 1.477 0 40 EDAB Cc1nnsc1C(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2 12145753 AAFXCOKLHHTKDM-UHFFFAOYSA-N 343.412 1.634 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)C[C@H](C)O1 13340120 KGFXNEWUQTZUTN-IUCAKERBSA-N 333.793 1.836 0 40 EDAB COCC(=O)N1CC[C@@H](c2cc(N3CCN(C)CC3)cc(C)n2)C1 19705288 JRKVTXFEXWQHLO-OAHLLOKOSA-N 332.448 1.104 0 40 EDAB Cc1cc(C)nc(N2CCC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)n1 607853679 LZHGEQZIEMCJKE-LBPRGKRZSA-N 335.433 1.604 0 40 EDAB CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)N(C)C 36332630 UGYMKZNTCMMWIX-LLVKDONJSA-N 342.446 1.082 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390827078 DTUALAJYGARYOL-ZDUSSCGKSA-N 340.405 1.858 0 40 EDAB COc1ccc(NC(=O)c2ccncc2)cc1S(=O)(=O)N(C)C 18835118 BWJDRJGUUZXBBP-UHFFFAOYSA-N 335.385 1.593 0 40 EDAB CCc1cc(N2CCN(c3nccc(N4CCCC4)n3)CC2)ncn1 1888854676 PMQQMWSMTZGTMH-UHFFFAOYSA-N 339.447 1.756 0 40 EDAB CCc1cc2c(N3CCC[C@@H](NS(C)(=O)=O)C3)ncnc2s1 42108302 XAEYLICEBMYSSY-SNVBAGLBSA-N 340.474 1.772 0 40 EDAB O=C(NCCc1cn2ccccc2n1)[C@@H]1CC(=O)N(C2CCCC2)C1 23319580 WYUQBHCTSBTEES-CQSZACIVSA-N 340.427 1.784 0 40 EDAB O=C(CN1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1)NC1CC1 23929275 XWZBSOIMUXNIPH-FPYGCLRLSA-N 347.846 1.776 0 40 EDAB O=C1NCCN1C(=O)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 238831562 GAOCPBZWGRFWCE-OLZOCXBDSA-N 327.344 1.398 0 40 EDAB O=C1COC[C@@]2(CCN(Cc3cncnc3)C2)CN1c1ccccc1 2037981012 QNGFNDIBWMKDOB-LJQANCHMSA-N 338.411 1.732 0 40 EDAB CCn1nccc1C(=O)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 2056224570 VNXALOGHMVCLNU-IRXDYDNUSA-N 341.415 1.023 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@@]1(O)CSCc2ccccc21 2087131347 VQPRDNLIHLOTGU-MRXNPFEDSA-N 333.413 1.293 0 40 EDAB O=C1CC[C@@H]2[C@@H](CCN2C(=O)[C@H]2[C@H]3COC[C@H]32)N1Cc1ccncc1 1565549865 HLCHIBFWLDWYFV-ORDFZIBCSA-N 341.411 1.066 0 40 EDAB O=C(NCc1ccccn1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4272652 LJJSFNWBXJPJPM-CQSZACIVSA-N 328.347 1.825 0 40 EDAB CCc1ccc(S(=O)(=O)NCc2nnnn2-c2ccccc2)s1 10594551 QJWOGUCWXAKPRY-UHFFFAOYSA-N 349.441 1.765 0 40 EDAB O=C(c1noc2c1C[C@@H](NCC1CCOCC1)CC2)N1CCCC1 2055745482 DANMJNWACIECMQ-AWEZNQCLSA-N 333.432 1.784 0 40 EDAB COC1(CC(=O)N2CC[C@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)CCC1 2055771780 XTOFRTSTIXIMBE-BFHYXJOUSA-N 334.420 1.751 0 40 EDAB CN(C)c1ccnc(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 2086884707 LVTFQDJNEZMVQE-ZDUSSCGKSA-N 335.477 1.334 0 40 EDAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)cc1 49404532 PIPUWVJUYFUFPT-UHFFFAOYSA-N 341.367 1.547 0 40 EDAB O=S(=O)(NC[C@@](O)(c1ccoc1)c1ccco1)c1cccnc1 618255772 YVKAWNDIAUVWRZ-OAHLLOKOSA-N 334.353 1.482 0 40 EDAB COC(=O)c1ccc(Cn2cnc3c(cnn3C(C)(C)C)c2=O)o1 4166264 NNSNUJLQENWZCR-UHFFFAOYSA-N 330.344 1.776 0 40 EDAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)c1cccs1 40090232 DSYROOHHEPERNE-NSHDSACASA-N 339.442 1.641 0 40 EDAB CCN(CC)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 50081441 ZPFVRFJJWOADGU-UHFFFAOYSA-N 347.868 1.320 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NCCc1c[nH]c2ccccc12 40310308 XWPFSPSKRXTNEL-UHFFFAOYSA-N 339.399 1.816 0 40 EDAB biogenic COC(=O)CCNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 50559288 RCJPSVJQHFDYOP-UHFFFAOYSA-N 339.413 1.696 0 40 EDAB O=C(CS(=O)(=O)C[C@H]1CCCO1)N1CCC(c2ccccc2)=N1 40498847 WZPRALFESBRFDX-CQSZACIVSA-N 336.413 1.217 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)Cc3ccc4ccccc4c3)CC2)N1 40485349 QIHGNMIWZYVURS-UHFFFAOYSA-N 337.379 1.583 0 40 EDAB C[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 40509758 QPABPFJFMVDALX-QWHCGFSZSA-N 346.383 1.058 0 40 EDAB CCOC(=O)c1c[nH]n(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1=N 101142417 BDWJTUVRNIJWEA-CYBMUJFWSA-N 346.431 1.992 0 40 EDAB Cc1nnc(SCC(=O)Nc2ccccc2N2CCOCC2)o1 368324 YUKNLQAPNFNZGJ-UHFFFAOYSA-N 334.401 1.945 0 40 EDAB NC(=O)[C@H]1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 52394086 UAOCMZGMWLUHDP-JTQLQIEISA-N 331.376 1.909 0 40 EDAB CC1(C)NC(=O)N(C[C@H](O)COCc2ccccc2Cl)C1=O 21558950 GKSLSAKEDJQVQI-NSHDSACASA-N 326.780 1.548 0 40 EDAB OCCN1CCN(c2nc(N3CCCC3)c3ccccc3n2)CC1 41148378 DRSXZJWLEAYHNV-UHFFFAOYSA-N 327.432 1.344 0 40 EDAB O=C(CNC(=O)c1ccc2c(c1)CCC(=O)N2)NCc1ccco1 32841752 LLDWWCBGYPJDJH-UHFFFAOYSA-N 327.340 1.211 0 40 EDAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102699165 VKLSXINGBZUPLJ-WXHSDQCUSA-N 342.351 1.694 0 40 EDAB Cc1c(C(=O)OCC(=O)N[C@H]2CCOc3ccccc32)cnn1C 22285255 MOPDDJCPAPHHSW-AWEZNQCLSA-N 329.356 1.525 0 40 EDAB C[C@H]1CN(C(=O)c2nc(N3CCOCC3)ncc2Cl)C[C@@H](C)O1 42127428 SMSFHNLVVGMRSP-PHIMTYICSA-N 340.811 1.216 0 40 EDAB CCN(CC)[C@H](CNC(=O)c1ccc(O)nn1)Cc1ccccc1 23196776 MTNWGGXEDKJIKO-HNNXBMFYSA-N 328.416 1.865 0 40 EDAB NC(=O)c1cccc(C(=O)Nc2nc(CN3CCOCC3)cs2)c1 23188607 ABUIAEBAODQYFW-UHFFFAOYSA-N 346.412 1.327 0 40 EDAB COc1ccc(C(=O)COC(=O)CN(C)c2ncccn2)cc1F 23173514 NXZCTEUSJBZJIA-UHFFFAOYSA-N 333.319 1.487 0 40 EDAB COc1cccc(OC)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 559987 HOYOSNFGOXUTKN-UHFFFAOYSA-N 336.369 1.604 0 40 EDAB O=C(c1coc(Br)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 78788997 XISMQKXUDHUMOW-RYUDHWBXSA-N 343.221 1.713 0 40 EDAB Fc1ccccc1OCCN1CCO[C@H](CNc2cccnn2)C1 78893659 SWBYGJNQFUBIPY-CQSZACIVSA-N 332.379 1.807 0 40 EDAB CN1C(=O)N[C@](C)([C@H]2CCCN(Cc3nnc(C(C)(C)C)o3)C2)C1=O 78899325 ZEUZQYWTTFPFSZ-APPDUMDISA-N 349.435 1.519 0 40 EDAB CN(C)c1ccc(NC(=O)C[C@H](NC[C@H]2CCCO2)C(=O)O)cc1 2482650 FPTFIGQANAMRRC-CABCVRRESA-N 335.404 1.303 0 40 EDAB C[C@H]1CN(CCNC(=O)[C@H](c2ccccc2)n2cccn2)C[C@@H](C)O1 106176678 CGOQBBYPILPGOP-JZXOWHBKSA-N 342.443 1.698 0 40 EDAB CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)NCc1ccncc1 12553975 KRZJHSTVJWGTJV-GOSISDBHSA-N 341.411 1.918 0 40 EDAB O=C(NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccoc1 55395089 WYHNDAASSPETBV-AWEZNQCLSA-N 341.367 1.179 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(N2CCOCC2)cc1 106519134 UKVRPECLPXVQAW-ZWKOTPCHSA-N 345.443 1.116 0 40 EDAB COc1ccc(F)cc1CN1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 72300782 SKQMGGFZAHYOJX-PXAZEXFGSA-N 335.379 1.644 0 40 EDAB Cc1cc(N2CCN(C[C@H](O)c3ccccc3)[C@@H](C)C2)nc(N)n1 106929030 XFGUHVIWXZXSOU-HOCLYGCPSA-N 327.432 1.611 0 40 EDAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)Nc1cccc(-n2cnnc2)c1 101688510 LPTYKPKBJWLYQY-MELADBBJSA-N 337.383 1.534 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)NCCOc1ccc(Cl)cc1 25321252 LWXGDEZQROCAGB-ZDUSSCGKSA-N 346.836 1.259 0 40 EDAB O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccn(-c2ccccc2)n1 43621008 OPFUXCLXXKXPEB-MRXNPFEDSA-N 343.431 1.841 0 40 EDAB CCCCS(=O)(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1S(=O)(=O)CCCC 104161510 BCTDADZBLWKRKR-XUXIUFHCSA-N 338.491 1.715 0 40 EDAB COc1ccc(-n2nnnc2C(C)(C)N2CCOCC2)cc1OC 35622790 BPRSXNICDMXXNH-UHFFFAOYSA-N 333.392 1.247 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cc(=O)n2nccc2[nH]1 108867941 LRTIUEWMMWBVCS-AWEZNQCLSA-N 326.404 1.710 0 40 EDAB O=C(Cn1ccccc1=O)NC[C@H](c1cccs1)N1CCCC1 44719563 XOCUKVCAENHSSF-CQSZACIVSA-N 331.441 1.863 0 40 EDAB CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cccc(F)c1F 58265811 KRLCFRBVGXKTQM-UHFFFAOYSA-N 346.277 1.264 0 40 EDAB CN(C)c1ccc(CCCNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 44946208 RWVHCUOESJAKOR-CQSZACIVSA-N 339.461 1.172 0 40 EDAB Cc1nc(CN2CCN(C(=O)N[C@@H](C)Cn3cccn3)CC2)cs1 44969547 SJJYIMMPUKJVFL-ZDUSSCGKSA-N 348.476 1.564 0 40 EDAB O=C(NCCNc1ccccn1)NC1CCN(c2ncccn2)CC1 44945098 WYRMDLFSWAOGCA-UHFFFAOYSA-N 341.419 1.252 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)no1 44938581 CXIZDWXXEKIBKI-ZKYQVNSYSA-N 328.434 1.981 0 40 EDAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207837 LDUDQDDNLVMMSR-UHFFFAOYSA-N 348.852 1.741 0 40 EDAB N[C@](CC[P@](=O)(O)CCC(=O)O)(Cc1ccccc1)C(=O)O 2139920 OQNIZLXTZZLTLI-CQSZACIVSA-N 329.289 1.146 0 40 EDAB biogenic CCN(CC)[C@H](CNC(=O)[C@@H](C)S(=O)(=O)C(C)C)c1ccco1 58328625 ODQXHHPXAOTXAZ-ZIAGYGMSSA-N 344.477 1.990 0 40 EDAB COc1ccc(COC[C@@H](O)CNC(=O)c2cnc(C)cn2)cc1 58309349 ZLOYDAYXGCTINI-AWEZNQCLSA-N 331.372 1.101 0 40 EDAB O=C(Cn1nc(-c2ccccc2)oc1=O)NOCc1ccccc1 58368439 CPJDUZNBLYKPLA-UHFFFAOYSA-N 325.324 1.751 0 40 EDAB COc1ccc(-c2nc(CC(=O)NCC(=O)O)cs2)cc1OC 20732003 KFYBSSPLLKFALO-UHFFFAOYSA-N 336.369 1.571 0 40 EDAB COCCN1C[C@H](C(=O)Nc2ccc(N3CCCC3)nc2)CC1=O 45315145 IBGBGJXCCOOXHM-CYBMUJFWSA-N 332.404 1.115 0 40 EDAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(C(C)=O)c[nH]2)c1 28813679 IOIDILWIDDXJSO-UHFFFAOYSA-N 336.369 1.969 0 40 EDAB Cc1csc(CNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n1 29442673 ZZFAFEAKWYHMTB-ZDUSSCGKSA-N 343.412 1.188 0 40 EDAB Cc1cc(C)c(/C=C/C(=O)NCCN2CCCS2(=O)=O)cc1C 61597759 HLUMERYREKAZEN-AATRIKPKSA-N 336.457 1.777 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCN(Cc2cccnc2)CC1 48235221 GINRNUWYISFLJF-UHFFFAOYSA-N 335.404 1.727 0 40 EDAB Cc1oc(C(=O)NC[C@@H]2CCOC2)cc1S(=O)(=O)N1CCCC1 48237323 RMDVNNKTJMGHTE-LBPRGKRZSA-N 342.417 1.139 0 40 EDAB CS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 58611672 WYOHKLWNEYUVIV-UHFFFAOYSA-N 339.438 1.611 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2CCN(Cc3cc(C)on3)CC2)cc1 48345633 PDJZUYRCKPGFQU-SFHVURJKSA-N 345.443 1.849 0 40 EDAB CCOCc1ccc(CNC(=O)NCc2nnc3n2CCC3)cc1 48372597 SIWCCIIUPFSIPR-UHFFFAOYSA-N 329.404 1.760 0 40 EDAB O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccc2c(c1)OCCO2 3443469 UVMJPRLPVKQKJE-UHFFFAOYSA-N 348.384 1.408 0 40 EDAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)NCC(F)(F)F 3492722 LHHVFVLPQKWGJR-KPKJPENVSA-N 344.289 1.385 0 40 EDAB CCOC(=O)N1CCC(NC(=O)CNC(=O)c2ccccc2)CC1 13012653 XHFCBAFMGQGIML-UHFFFAOYSA-N 333.388 1.154 0 40 EDAB CC(C)N(C)CC(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002506 AVDBKUTVPFWKSJ-HNNXBMFYSA-N 345.422 1.855 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)[C@H](c1ccccc1)n1cccn1 64897543 RCMJINXSOQTZFJ-INIZCTEOSA-N 328.416 1.846 0 40 EDAB O=C(OCc1cc(=O)n2ccsc2n1)c1cccc2c1OCO2 64836190 MDJWJJPWNDOUQI-UHFFFAOYSA-N 330.321 1.842 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)s1 25252501 XEJQMIWEMGAGJD-LBPRGKRZSA-N 344.458 1.068 0 40 EDAB CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(C[C@H]1CCCO1)C2=O 4239898 VWAJTIYWVJIEIR-CZUORRHYSA-N 327.384 1.658 0 40 EDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)N(C)Cc2nccn2C)o1 84195245 BBCBBQYFGIVTOO-CYBMUJFWSA-N 338.433 1.835 0 40 EDAB CC1CCN([C@H](CNC(=O)N[C@H](C)c2nncn2C)C(C)C)CC1 65390753 FHUUZYGAYSCVLI-HUUCEWRRSA-N 336.484 1.932 0 40 EDAB CCOC(=O)c1nn(-c2ccc3c(c2)OCO3)c(C(=O)OCC)c1N 65336686 JESATXSKZUGIDR-UHFFFAOYSA-N 347.327 1.537 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1cccc(CN2CCCC2=O)c1 65494382 ODWUJLCXTLIEDG-INIZCTEOSA-N 338.411 1.750 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(-n2cccc2)c1 65566842 FICSTOHAFZDSCE-HNNXBMFYSA-N 333.413 1.840 0 40 EDAB O=C1CCCN1CCCNC(=O)N1CC[C@@H](Nc2ccccc2)C1 65529149 WYDFVTHTHAKXIK-MRXNPFEDSA-N 330.432 1.895 0 40 EDAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc2cccnc2c1N 65553258 GQRVTBQHUMQPDI-UHFFFAOYSA-N 344.371 1.598 0 40 EDAB COc1cccc(C(N)=O)c1OCC(=O)N1CCc2ccccc2C1 14230633 MBVHQMGBZQUJCG-UHFFFAOYSA-N 340.379 1.758 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)Nc3cn[nH]c3)CC2)C1 66594895 AIVRFWMBLLWTCM-KGLIPLIRSA-N 348.451 1.254 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccco1 6880015 DABOZRGBCQCYHI-UHFFFAOYSA-N 328.372 1.143 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15567192 XANHOYMSTIMQPE-UHFFFAOYSA-N 335.323 1.205 0 40 EDAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(=O)[nH]c1 71797389 YMPSOAKCGTWSJD-INIZCTEOSA-N 327.384 1.178 0 40 EDAB O=c1cc(C(F)(F)F)nc(CNc2ccc(-n3cncn3)cc2)[nH]1 90371339 HINVXMIPWVACMC-UHFFFAOYSA-N 336.277 1.982 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]12 409282138 NYAJYGWWSZCZRN-UMPJEAMMSA-N 331.299 1.202 0 40 EDAB COCCN(C(=O)c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 68743172 CQJXQDVSTFHBGE-LBPRGKRZSA-N 331.459 1.641 0 40 EDAB COCc1ccccc1CNC(=O)CN1C[C@@H](C(N)=O)CC[C@@H]1C 71897053 NFCVQYXHWSDXSW-ZFWWWQNUSA-N 333.432 1.035 0 40 EDAB CN1N=C(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)CCC1=O 71839174 QTHQSHYVZHVROF-HNNXBMFYSA-N 339.399 1.845 0 40 EDAB CNc1cc2c(nn1)CCN(C(=O)c1cc(F)cc3[nH]cnc13)C2 71860164 XOEAMLLYPWZNCE-UHFFFAOYSA-N 326.335 1.732 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)ccc1=O 71870367 HDVRPSQQTFXJCC-JKSUJKDBSA-N 332.448 1.742 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2sccc2C2CC2)CC1 71881921 NMWVIQHRNQREKV-CQSZACIVSA-N 338.473 1.781 0 40 EDAB Cc1ccc(N2CCC[C@@H](NCC(=O)Nc3cc(C)no3)C2)nn1 71859781 FHSVAAVTEMFQMW-CYBMUJFWSA-N 330.392 1.279 0 40 EDAB CC(C)[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCc2ccccc2C1 71826927 KWPLXHPIQGGYSS-GOSISDBHSA-N 343.471 1.793 0 40 EDAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCO[C@H](Cn2cccn2)C1 69392513 CMSOQKVNFYJEKT-UONOGXRCSA-N 333.392 1.298 0 40 EDAB C[C@](C(=O)NCCCS(C)(=O)=O)(c1ccccc1)N1CCCC1 69323495 MWKQBTFLNAMBGT-QGZVFWFLSA-N 338.473 1.549 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N[C@@H](C)c1oc2ccc(F)cc2c1C 69377142 GWVPYLOXJIAIMA-JTQLQIEISA-N 349.362 1.310 0 40 EDAB Cc1cnn(C[C@H]2CN(CC(=O)N(C)c3nccs3)CCO2)c1 69436855 WQKVOITXCFHFPA-CYBMUJFWSA-N 335.433 1.012 0 40 EDAB COc1ncccc1C(=O)N1CCC(c2nnc3n2CCC3)CC1 69451569 VCICYLVHXHBLFH-UHFFFAOYSA-N 327.388 1.648 0 40 EDAB O=C(CN1CCN(c2snc3ccccc23)CC1)N1CCOCC1 69440491 WRHVWEDEWSWKBO-UHFFFAOYSA-N 346.456 1.277 0 40 EDAB CCc1noc([C@@H](C)N2CCN(Cc3nc4ncccc4[nH]3)CC2)n1 69418435 CYBXAMVGVRUKMX-GFCCVEGCSA-N 341.419 1.782 0 40 EDAB O=C1C[C@@H](N(C(=O)c2cccc(C(F)(F)F)c2)C2CC2)C(=O)N1 69461312 CFKGJOBABNRLPO-LLVKDONJSA-N 326.274 1.725 0 40 EDAB C[C@@H]1CCc2ccccc2N1C(=O)CN[C@@H]1CCc2ncnn2C1 69596498 RXLWBPYBPDOWAZ-UKRRQHHQSA-N 325.416 1.550 0 40 EDAB Cc1nccc(C(=O)N2CCCN(Cc3csc(C)n3)CC2)n1 69655803 VMAVLMZHKQGEDU-UHFFFAOYSA-N 331.445 1.898 0 40 EDAB CCn1ccnc1CN1CCN(C[C@@](C)(O)c2ccccc2)CC1 69624690 CKYFGSSPAGOYCX-LJQANCHMSA-N 328.460 1.928 0 40 EDAB CCc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)NCc3cccs3)CCO2)n1 83830061 UBOIRSBHJVMRNA-AAEUAGOBSA-N 349.460 1.507 0 40 EDAB COc1ccc2cc(CNC(=O)N(CCO)CCCO)ccc2c1 72275188 IZHLTPPACVHTFJ-UHFFFAOYSA-N 332.400 1.735 0 40 EDAB Cc1nc([C@H](NC(=O)CN2CCCCCC2=O)c2ccccc2)n[nH]1 69772733 LLRBZDJHFSJIAK-QGZVFWFLSA-N 341.415 1.721 0 40 EDAB CC[C@@H]1CN(Cc2cn3c(C)cc(C)nc3n2)CCN1CCOC 69779912 RSUMTHFKJHZWBK-QGZVFWFLSA-N 331.464 1.889 0 40 EDAB CCc1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 69809702 NDIIKYKEJPPGOD-UHFFFAOYSA-N 342.486 1.357 0 40 EDAB COCc1ccc(C(=O)N2CCCN(Cc3nccn3C)CC2)cc1 69900017 FSJRWDZYBPSJOJ-UHFFFAOYSA-N 342.443 1.915 0 40 EDAB Cc1nc2n(n1)C[C@H](NCc1ccc(C(=O)NC3CC3)cc1)CC2 69921957 CWZCGQVGXYUPIW-MRXNPFEDSA-N 325.416 1.583 0 40 EDAB COC(=O)[C@]1(C(C)=O)NC(C)=C(c2ccccc2)C(C(=O)O)=C1C 408722665 VQSZHTVUMWSIBG-SFHVURJKSA-N 329.352 1.923 0 40 EDAB O=C(CSc1ccccc1)N[C@@H]1CCN(CCN2CCOCC2)C1 71908948 PNXGOCAOKSPSEO-MRXNPFEDSA-N 349.500 1.301 0 40 EDAB C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)NC[C@@H]1CCCO1 8727020 JWUAFTFTOLRYEY-AAEUAGOBSA-N 347.444 1.653 0 40 EDAB Cc1cc(C)cc(C2(C(=O)N3CC[C@]4(C3)NC(=O)NC4=O)CC2)c1 72290639 ASXDPHAQEKPSCT-GOSISDBHSA-N 327.384 1.146 0 40 EDAB O=C(N[C@@H](c1nnn[nH]1)C1CC1)c1ccn(-c2ccccc2Cl)n1 72285486 FORLPMUXXKHRQV-CYBMUJFWSA-N 343.778 1.920 0 40 EDAB COCCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1cnn(-c2ccccc2)c1 72275673 ZKRCMCDALSQWOQ-NVXWUHKLSA-N 343.383 1.883 0 40 EDAB Cc1cc(F)ccc1-n1ccc(C(=O)N[C@H]2CCN(C(N)=O)C2)n1 97371282 VSSBCESFLTWMOI-LBPRGKRZSA-N 331.351 1.203 0 40 EDAB Cc1nn(C)c(C)c1[C@H]1COCCN1S(=O)(=O)c1ccccc1 95458987 PJMLDUZLMWJISC-OAHLLOKOSA-N 335.429 1.799 0 40 EDAB COC(=O)c1ccc2nn(Cc3cccc(C(C)C)n3)c(=O)n2c1 95451608 SJHZJBYHXUZQHT-UHFFFAOYSA-N 326.356 1.849 0 40 EDAB O=C(COc1ccccc1)NC(=S)Nc1ccc(C(=O)O)c(O)c1 20153588 FSLRYCMSPZZHTP-UHFFFAOYSA-N 346.364 1.982 0 40 EDAB CCOC(=O)[C@@](C)(O)CN1CCCN(CC2CCCCC2)CC1 95943815 FROXHOXLECGATJ-SFHVURJKSA-N 326.481 1.889 0 40 EDAB NCc1ccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1 95960545 MZJPNYIFYQJDDI-UHFFFAOYSA-N 325.294 1.412 0 40 EDAB O=C([C@H]1Cc2ccccc2O1)N1CCC(c2ccnn2CCO)CC1 89543278 KZXDWACEKGZCIS-GOSISDBHSA-N 341.411 1.585 0 40 EDAB O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCN(CCO)CC1 89768471 FBJKZTCFTZPASH-UHFFFAOYSA-N 335.301 1.986 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCOCC1 75486076 VECWMINRWLJUTF-INIZCTEOSA-N 332.448 1.239 0 40 EDAB O=C(CCn1ccnn1)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 76060409 SLEWZXAKRRGLCA-SNVBAGLBSA-N 342.325 1.816 0 40 EDAB CC(C)n1cc(CN2CCn3cc(C(=O)N(C)C)nc3[C@H]2C)cn1 306141075 VKRVZVJLYTVWRG-CYBMUJFWSA-N 330.436 1.939 0 40 EDAB CCOc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)NC(C)C 408700911 OBUCJECGMOWNSN-UHFFFAOYSA-N 326.418 1.664 0 40 EDAB CCN(C(=O)N[C@H](C)Cn1nc(C)cc1C)[C@H](C)CS(C)(=O)=O 79036195 RBGQTJNXCCCTJM-TZMCWYRMSA-N 344.481 1.353 0 40 EDAB CN(C)c1cncc(C2CCN(C(=O)[C@@]3(C)CCCCN3)CC2)n1 72367356 JIUJQZAPXPRMIR-GOSISDBHSA-N 331.464 1.781 0 40 EDAB COC(=O)c1ccc([C@@H]2[C@@H](C(C)=O)C(=O)C[C@](C)(O)[C@H]2C(C)=O)cc1 36368142 YRDBVESBSOGABM-ZMMAXQRCSA-N 346.379 1.691 0 40 EDAB Cc1nc2ncnn2c(O)c1CCC(=O)Nc1ccc2c(c1)OCO2 36569459 LHGHEUPJABKTNZ-UHFFFAOYSA-N 341.327 1.438 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O)c1cccs1 77264265 CRIHULZUOARCGP-BZPMIXESSA-N 338.454 1.458 0 40 EDAB biogenic,in-vitro CC(C)(CNC(=O)COc1ccccc1F)N1CCS(=O)CC1 74135649 RYWSSJWJJXPEAS-UHFFFAOYSA-N 342.436 1.164 0 40 EDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)C2(CO)CO)cc1 218097930 FHDBXSZFCREJTA-SJORKVTESA-N 348.420 1.606 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@]1(C)Oc2ccccc2NC1=O 71195592 XKJZLTOVYSRZRS-KPZWWZAWSA-N 340.383 1.704 0 40 EDAB CC(=O)NC[C@@H]1CN([C@@H](C(=O)O)c2c(F)cccc2Cl)CCO1 563280173 LSPFFFCJRTYAAB-QMTHXVAHSA-N 344.770 1.442 0 40 EDAB CCOc1cc(NC(=O)CCn2cnc3ccccc3c2=O)ncn1 75166472 LASROIKMMFJBHU-UHFFFAOYSA-N 339.355 1.614 0 40 EDAB COc1ccccc1OCc1ncc(C(=O)O)c(N2CCOCC2)n1 49469380 RWFCHJWRMHMRSM-UHFFFAOYSA-N 345.355 1.599 0 40 EDAB O=C(NCCO)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O 199408080 PWYZFLZDPAWYJO-AWEZNQCLSA-N 334.759 1.034 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)CN2C[C@@H](C)Oc3ccc(C)cc32)C1 81571779 IRUPXRKAJUJUSD-ZBFHGGJFSA-N 345.443 1.709 0 40 EDAB CN1CCN(Cc2cccc(C(=O)N(C)C[C@@H]3CCN(C)C3)c2)CC1 81354432 LZYDRPFWPCYBIH-GOSISDBHSA-N 344.503 1.458 0 40 EDAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1cnc3n1CCCC3)C2 582611019 IVFWQVVTSVBXBD-CYBMUJFWSA-N 343.431 1.004 0 40 EDAB CC[C@@]1(C(=O)OC)N[C@@H](c2cccc(F)c2)[C@H]2C(=O)N(C)C(=O)[C@H]21 96295837 MNQANYLTQZFWNZ-NEULZYRMSA-N 334.347 1.023 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@]2(C[C@@H](OCC3CCOCC3)CO2)C1 96107744 XBVBQBXWWGBXHG-ZBFHGGJFSA-N 345.461 1.155 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCNc2nc(C)ns2)c1 96429155 OMKYAQIQRRPJTF-UHFFFAOYSA-N 326.447 1.854 0 40 EDAB Cn1nccc1C(=O)NCCN1Cc2cc(Cl)ccc2OCC1=O 238953288 XJWWRCHCEMOSDF-UHFFFAOYSA-N 348.790 1.225 0 40 EDAB O=C(c1ccoc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCCN1CCCC1 96057938 JKCZRYOBSWITCC-GVDBMIGSSA-N 334.416 1.764 0 40 EDAB COCCN1C[C@H]2[C@@H](C1)N(C(=O)CCc1ccccc1)CC[C@H]2OC 96108548 VLOPBHJVTSOGBT-IPMKNSEASA-N 346.471 1.813 0 40 EDAB O=C(NCc1noc(C2CC2)n1)N1CC[C@@H](n2cc(Cl)cn2)C1 578900133 CJXSQXCENSHZHQ-LLVKDONJSA-N 336.783 1.954 0 40 EDAB C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NC[C@@H]1CCc2ccccc21 97235078 NPULDOLSYPFGTL-OWQGQXMQSA-N 344.455 1.888 0 40 EDAB COC[C@H]1CC2(CCN(C(=O)N(C)C)CC2)CN1c1ncccn1 96051832 ULCNWTFPCWCVED-CQSZACIVSA-N 333.436 1.466 0 40 EDAB Cn1cc(N2CC[C@]3(CCCN(C(=O)c4ccncc4)C3)C2=O)cn1 96224650 GWFGNXXUXXDGLP-SFHVURJKSA-N 339.399 1.474 0 40 EDAB COc1ccc(CN2C[C@@H]3OCCN(c4ncccn4)[C@@H]3C2)cc1 96054432 KJQMXZFXODZPBG-SJORKVTESA-N 326.400 1.575 0 40 EDAB CC(=O)NCC(=O)N1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 96045677 GWGJKDVYYCQPLB-IRXDYDNUSA-N 331.416 1.156 0 40 EDAB c1cnc(N2CCC[C@]3(CN(CC4CCOCC4)CCO3)C2)cn1 96049173 ADIGDUAVZNVRDR-SFHVURJKSA-N 332.448 1.574 0 40 EDAB Cc1nnc([C@@]23CCO[C@@H]2CCN(C(=O)Cc2cccs2)C3)o1 97953368 XJICGFSWBAQKCQ-CZUORRHYSA-N 333.413 1.941 0 40 EDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nccs1 96232514 CWCOGGSLHCNSLH-LBPRGKRZSA-N 344.396 1.982 0 40 EDAB O=C(CCn1cnc2ccccc21)N1CCC[C@](O)(c2cnn[nH]2)C1 583621373 XYGZERUUGKKQPH-QGZVFWFLSA-N 340.387 1.055 0 40 EDAB Cc1cnc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)cn1 583619648 UAPCTZUVAWMCRE-XJKSGUPXSA-N 328.420 1.331 0 40 EDAB CCn1ncc2c1CN(S(=O)(=O)c1ccccc1)C[C@@H]2COC 96044579 RCRHNBIBMONUJA-CYBMUJFWSA-N 335.429 1.838 0 40 EDAB CCc1c(Cl)nc(C)nc1N1CCN(C(=O)[C@H]2CCCO2)CC1 96427282 DKLFDIUNRYQMBW-CYBMUJFWSA-N 338.839 1.828 0 40 EDAB Cn1ncc2c(=O)[nH]c(N[C@@H]3CCCN(c4cccc(F)c4)C3)nc21 96407655 NJUPKFMDVMFSGS-GFCCVEGCSA-N 342.378 1.877 0 40 EDAB CCn1ncc2c1[C@@H](COCC1CC1)N(C(=O)c1ccncn1)CC2 96197845 VFYKWAYDQHJCGB-MRXNPFEDSA-N 341.415 1.859 0 40 EDAB Cc1cc(CN2CCC3(CC[C@@H](C(=O)N4CCCO4)O3)CC2)no1 96111143 CMOAQVDXKOQEHI-HNNXBMFYSA-N 335.404 1.661 0 40 EDAB C[C@H](NC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1)[C@@H]1CCOC1 585088667 YPKJUNFEILMIIJ-HQRMLTQVSA-N 346.471 1.945 0 40 EDAB Cn1nc(Br)cc1NC(=O)NCCNc1ccccn1 585086502 RODSFGBKHIVSEA-UHFFFAOYSA-N 339.197 1.811 0 40 EDAB CN(Cc1cccnc1)Cc1cn2c(n1)CN(C(=O)N(C)C)CC2 96059558 NZBJXMYJAMUTDY-UHFFFAOYSA-N 328.420 1.407 0 40 EDAB O=C(c1cccnc1)N1CC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1 96072814 FHLJXLLMLUAWPR-PBHICJAKSA-N 343.362 1.496 0 40 EDAB O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCC[C@@H](n2cncn2)C1 245571435 ZDXFVLHAXPAFRK-LSDHHAIUSA-N 341.419 1.299 0 40 EDAB O=C(c1ccncc1)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 247846173 HBMWDESSPZRBOG-QGZVFWFLSA-N 339.395 1.925 0 40 EDAB CC(C)NS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC(C)C 585114593 KXKKYYJWVIFMOO-AWEZNQCLSA-N 344.433 1.087 0 40 EDAB Cc1cc(C(=O)N2CC(O)(c3ccc(Br)cc3)C2)ncn1 585114249 SWHDKYDVKQSROI-UHFFFAOYSA-N 348.200 1.891 0 40 EDAB COC[C@@H]1CCS(=O)(=O)C12CN(Cc1cccc3[nH]ccc13)C2 247897955 VFFSTDWXJKWSIA-AWEZNQCLSA-N 334.441 1.803 0 40 EDAB CN(C)C(=O)COCC[C@H]1CN(CC2CCCC2)Cc2ccnn21 247986665 KSYCIKUGTKSTPF-KRWDZBQOSA-N 334.464 1.925 0 40 EDAB CN(C)C(=O)COCC[C@@H]1CN(CC2CCCC2)Cc2ccnn21 247987694 KSYCIKUGTKSTPF-QGZVFWFLSA-N 334.464 1.925 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1CCOC[C@@H]1CCc1cnccn1 257297443 RHGFDQJXFYJMDT-KRWDZBQOSA-N 343.431 1.311 0 40 EDAB CNC(=O)c1cc(C)nc([C@]2(C)CCCN2Cc2nccn2C)n1 257294637 QVAFGVGXVZUVNB-KRWDZBQOSA-N 328.420 1.389 0 40 EDAB CCN1CCC(N2CCC[C@H]2c2cncc(CNC(C)=O)n2)CC1 257222801 DUSOQJOJDIFIEA-SFHVURJKSA-N 331.464 1.734 0 40 EDAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H]1c1ccnc(O)n1 257261650 LIGVEMXVZMEVKC-AWEZNQCLSA-N 336.355 1.740 0 40 EDAB Cc1ccn(CCC(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)n1 257343139 ZRQORIBQEOOYIB-INIZCTEOSA-N 343.431 1.419 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCC[C@H](Cc3cnc(N)cn3)CC2)n1 257270492 MULWUMFKCFCTMA-HNNXBMFYSA-N 342.447 1.744 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)CCc2cccc(F)c2)CCO1 257243987 IJKSLDTVIWYLBJ-AWEZNQCLSA-N 330.363 1.731 0 40 EDAB C[C@H](NC(=O)Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2)C(N)=O 1615046176 BBDNIIYOPQTDNQ-AAEUAGOBSA-N 343.452 1.948 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@H](CO)C[C@@H]3CO)cn2)n1 1615586520 AWWXIAKMRYQVNF-UKRRQHHQSA-N 345.403 1.091 0 40 EDAB C[C@H](NC(=O)N(C)Cc1nnc2n1CCOCC2)c1ccccc1 1615554864 YZMKRJZUHCCQSS-ZDUSSCGKSA-N 329.404 1.753 0 40 EDAB Cn1nc(C(=O)N2CCC(Cn3cnnc3)CC2)cc1C(F)(F)F 1615615907 ZIRCCAHTVWZREF-UHFFFAOYSA-N 342.325 1.583 0 40 EDAB O=S(=O)(NCC[C@@H]1CN(CC2CCC2)Cc2ccnn21)C1CC1 585111836 COAIVDCWAMHWRG-OAHLLOKOSA-N 338.477 1.512 0 40 EDAB Cc1ccc(C[C@]2(CO)CN(C(=O)Cc3nonc3C)CCO2)cc1 585278039 PHWVGJUZPGKIHM-GOSISDBHSA-N 345.399 1.062 0 40 EDAB CS(=O)(=O)NCC[C@@H]1CN(C2CCOCC2)Cc2cccn2C1 585095103 FSRHOJFLCUIWKZ-AWEZNQCLSA-N 341.477 1.038 0 40 EDAB COc1ccc2oc(C(=O)N(C)[C@@H]3COC[C@@H](OC)[C@H]3O)c(C)c2c1 585287185 TZVRJUINXUBBQM-BMFZPTHFSA-N 349.383 1.597 0 40 EDAB Cc1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)O)c2ncccc2c1 681588771 NBBPRONPDWSBNV-LBPRGKRZSA-N 336.369 1.017 0 40 EDAB O=C(OCC(=O)N1CCOCC1)[C@H]1CCCN(Cc2ccccc2)C1 70009595 VNBOZMLWZOSTMZ-KRWDZBQOSA-N 346.427 1.301 0 40 EDAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(=O)[nH]c1 71819898 RCLWLLXPLSPGAA-UHFFFAOYSA-N 329.375 1.908 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)NC[C@H]1CN(CC(C)C)CCO1 43820917 DUSVFIGCMLMVHX-HNNXBMFYSA-N 338.452 1.790 0 40 EDAB COCCc1nsc(N[C@H](C)CNC(=O)c2ccns2)n1 1098086287 XIDAFWMVPKIIBP-MRVPVSSYSA-N 327.435 1.414 0 40 EDAB COCCN1CC[C@@H](CNC(=O)C[C@@H](C)NC(=O)c2ccccc2)C1 58432068 MNCULEFYIOJQCG-CVEARBPZSA-N 347.459 1.280 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)N2CCCC2)CC1=O 58697900 ZBDUIBYFXWPDED-OAHLLOKOSA-N 344.411 1.768 0 40 EDAB CO[C@@H](CNC(=O)N1CCN(Cc2cscn2)CC1)C(C)C 74938240 HDLKCNLNXUIXDW-AWEZNQCLSA-N 326.466 1.641 0 40 EDAB CC1(C)CN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CCO1 75730948 BSBNKHDVMLAFEJ-MLGOLLRUSA-N 329.462 1.822 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)CN2CCCc3cc(C)ccc32)C1 95951644 GISNBASVZUQOPL-QGZVFWFLSA-N 329.444 1.875 0 40 EDAB COc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(C)O3)c(OC)c1 1549166882 KDTWSUILSQHXQK-UHFFFAOYSA-N 334.372 1.472 0 40 EDAB COc1ccc2c(c1)OC[C@H]([C@@]1(O)C(=O)Nc3ccccc31)C2=O 5016100 KKTMNJKONDCQDS-SCLBCKFNSA-N 325.320 1.726 0 40 EDAB COc1ccc(OC)c(NC(=O)C[C@H]2N[C@@H]3CCCC[C@@H]3NC2=O)c1 13535765 YUGMAGUFGZESFQ-VNHYZAJKSA-N 347.415 1.432 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cccs2)cc1 2661707 NGAVZJFYSHCLKW-VMPITWQZSA-N 336.438 1.768 0 40 EDAB CN(C(=O)/C=C/c1cccc(C(F)(F)F)c1)[C@@H]1COC[C@@H](O)[C@H]1O 643551263 UERHQJLCXFQJKE-XTDZIZDXSA-N 345.317 1.298 0 40 EDAB C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)sc2C1 16847784 YLOUBKGLTFCHTO-KOLCDFICSA-N 343.474 1.630 0 40 EDAB Cc1cc(OC2CCN(C(=O)c3snnc3C)CC2)nc(C)n1 390826406 KGKUMGKZNFCAOV-UHFFFAOYSA-N 333.417 1.937 0 40 EDAB c1nc(N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)c2c[nH]nc2n1 1888888352 ZUBYOFDWWIYLPF-LLVKDONJSA-N 337.387 1.926 0 40 EDAB C[C@@H](C(=O)NC[C@H](C)c1ccccc1)N1CCN(C(=O)C2CC2)CC1 24594101 OGVJRZHOWRKYIP-HOTGVXAUSA-N 343.471 1.849 0 40 EDAB C[C@@H]1CN(CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@@H](C)O1 25411808 LSAOGPRRMRNIQF-HUUCEWRRSA-N 328.416 1.598 0 40 EDAB CCOCC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 2037840596 OJDDQUAFOZKMRN-KRWDZBQOSA-N 336.363 1.197 0 40 EDAB Cn1nccc1C(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037841185 ZJQCCFPNNIQEIR-GOSISDBHSA-N 340.383 1.068 0 40 EDAB O=C(c1cncnc1)N1C[C@H]2CCN(Cc3cccnc3)CC[C@H]2C1 2056223982 KKKGHBAWRQPTKM-CALCHBBNSA-N 337.427 1.856 0 40 EDAB CC[C@@H](C)CNC(=O)c1ncn2c1CC[C@@H](C(=O)NCC1CC1)C2 2055713851 RNRDNDSGSUIZTK-TZMCWYRMSA-N 332.448 1.748 0 40 EDAB CNC(=O)[C@@]12CCC3(CCN(C(=O)C(C)(C)C)CC3)[C@@H]1CN(C)C2 2055795934 VPLWTQLGEJLYNE-IFXJQAMLSA-N 335.492 1.729 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2csc(C)n2)CC1 2055747446 AKPWAMSCHPPAGL-UHFFFAOYSA-N 348.476 1.378 0 40 EDAB O=C(NCc1cccs1)N1CCN(S(=O)(=O)C2CC2)CC1 44457474 HPLRIMJYXOXEHI-UHFFFAOYSA-N 329.447 1.068 0 40 EDAB Cc1cc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)no1 225728479 ZGSKUTDERRWKSK-UHFFFAOYSA-N 341.293 1.754 0 40 EDAB CS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CCCCNC2=O)c1 40025122 MVKZCYZMTWDUIL-GFCCVEGCSA-N 345.804 1.569 0 40 EDAB C[C@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)[C@H]1CCCO1 40509181 FLHKEVZCFKRJRH-GXTWGEPZSA-N 344.419 1.024 0 40 EDAB C[C@@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(CC(N)=O)c2ccccc21 299970 GGARBVOVUGOSFF-BUXKBTBVSA-N 338.363 1.225 0 40 EDAB O=C(CCc1ccco1)NCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101572251 UURQWEDSUJETPS-PYTWLRIVSA-N 342.395 1.526 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cn1 32476912 ONAFQQPELGJNJO-UHFFFAOYSA-N 327.388 1.621 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)Nc1nnc(C2CC2)s1 21293062 BGJMTWHAXVWOCX-UHFFFAOYSA-N 328.357 1.159 0 40 EDAB Cc1c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)oc2c(F)cccc12 21473861 GGQMLPWZUYCJOG-UHFFFAOYSA-N 345.330 1.695 0 40 EDAB C[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc2c(c1)CCC2 52492001 SJQOIOIOYXGIRT-NHYWBVRUSA-N 336.409 1.724 0 40 EDAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc[nH]c1=O 21962936 OTHLFVJEIGVVCU-UHFFFAOYSA-N 327.384 1.484 0 40 EDAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nnnn1-c1ccccc1 41624957 XZBNGOWPWZXETH-BPUTZDHNSA-N 341.415 1.968 0 40 EDAB COc1ccc(F)cc1C(=O)NCc1ccc(N2CCOCC2)nc1 23459153 VIUITPUPKDGMDK-UHFFFAOYSA-N 345.374 1.996 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)c4cccc(F)c4)CC3)ncnc21 23462257 WMDVZMGQWREUNT-UHFFFAOYSA-N 340.362 1.465 0 40 EDAB COCCc1noc(CN(C)C(=O)CCc2ccc(N(C)C)cc2)n1 79102702 RBKQMZSNAVVTJD-UHFFFAOYSA-N 346.431 1.916 0 40 EDAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1 1701161 FVOKMCAWVMJCNU-GOSISDBHSA-N 338.407 1.887 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(Cc3cn4cccnc4n3)C2)n1 105885139 AJZWTWROTDEQHQ-HNNXBMFYSA-N 325.420 1.850 0 40 EDAB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OC(F)F 3543668 TVQFSFMAAYLUFN-UHFFFAOYSA-N 340.282 1.730 0 40 EDAB C[C@H](NC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1ccccn1 106095191 SJUPHLLVMYYMPV-ZOBUZTSGSA-N 348.447 1.179 0 40 EDAB C[C@H]1CN([C@@H](C)CNC(=O)c2cccnc2N2CCCC2)C[C@@H](C)O1 47639653 NYGPKSJKTTTYMK-HRCADAONSA-N 346.475 1.909 0 40 EDAB Cc1cc(NC(=O)CN(C[C@H]2CCCO2)C[C@H]2CCCO2)n(C)n1 47776116 XPWNXACIIBIVJW-HUUCEWRRSA-N 336.436 1.327 0 40 EDAB CCN1CCN(C(=O)[C@@H](C)Sc2nc3nc(C)cc(C)n3n2)CC1 25784928 ZMUGWRAXISWTMQ-CYBMUJFWSA-N 348.476 1.386 0 40 EDAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1OC 102246363 PSAOHKALWYJJHB-SDADXPQNSA-N 349.383 1.241 0 40 EDAB COc1ccc(-n2ccc(C(=O)N3CCCN(C(C)=O)CC3)n2)cc1 57253131 QTZRBWARENQLCO-UHFFFAOYSA-N 342.399 1.575 0 40 EDAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NC 22248397 RTWRDRMPMIBCEZ-UHFFFAOYSA-N 334.825 1.495 0 40 EDAB O=C1O[C@@H](C(=O)N2CCC[C@H](n3cncn3)C2)Cc2ccccc21 72234777 BGSRUQYKNPDZBN-DZGCQCFKSA-N 326.356 1.223 0 40 EDAB COc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccc(C)c2)c1 107600700 NWRUINKSXUOIDF-UHFFFAOYSA-N 341.367 1.697 0 40 EDAB O=C(NCCCOc1ccc(F)cc1)NCCN1CCOCC1 58216814 BFMOKYYKXOAJKZ-UHFFFAOYSA-N 325.384 1.226 0 40 EDAB COc1ccc(OC)c(-n2nnnc2S[C@@H](C)C(=O)NC2CC2)c1 58292902 NJMNQPJNYHIUBN-VIFPVBQESA-N 349.416 1.439 0 40 EDAB Cc1cc2ncn(C[C@@H](O)CN(C)Cc3cnn(C)c3)c2cc1C 44974485 KBHAEQAUDZLTNW-INIZCTEOSA-N 327.432 1.880 0 40 EDAB CCN1CC[C@H](CNC(=O)NCc2ccccc2Cn2cncn2)C1 44968691 GQPCTYMQYFNYAY-OAHLLOKOSA-N 342.447 1.467 0 40 EDAB C[C@@H]1CN(c2ccc(NC(=O)NC[C@@H]3CCCO3)cn2)C[C@@H](C)O1 44952139 SOTAXENQZPLALS-NFAWXSAZSA-N 334.420 1.996 0 40 EDAB O=C(NCCNc1cnccn1)[C@@H]1COc2ccc(Cl)cc2C1 44915327 UAMFDBBHTZYOPP-LBPRGKRZSA-N 332.791 1.909 0 40 EDAB COc1ncccc1NC(=O)COc1ccc2c(c1)CCC(=O)N2 44954517 JZGCHHFRTRKMJO-UHFFFAOYSA-N 327.340 1.992 0 40 EDAB CC(C)(CNC(=O)c1cccc(N2CCOC2=O)c1)N1CCOCC1 44966074 XKPNOHVIXLROTL-UHFFFAOYSA-N 347.415 1.484 0 40 EDAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)S(C)(=O)=O)cc1OC 44966168 IKWLBMSSDZHAKB-QWRGUYRKSA-N 329.418 1.623 0 40 EDAB Cc1ccsc1CNC(=O)c1ccc(CNS(C)(=O)=O)o1 84754130 WXLRBYDPXJCNIT-UHFFFAOYSA-N 328.415 1.629 0 40 EDAB Cn1c(CSc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 58304543 FBAXSTBCJIAQIJ-UHFFFAOYSA-N 336.804 1.906 0 40 EDAB COc1ccccc1Nc1nc(N)nc(CN2CCO[C@@H](C)C2)n1 25837579 IRQIBZZZRCRNNG-NSHDSACASA-N 330.392 1.427 0 40 EDAB CC[C@@H](C)n1cnc(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)c1 84727018 AEOPUXTVVIZLEB-GIPWTMENSA-N 333.479 1.386 0 40 EDAB C[C@H]1CCCc2sc3ncn4nc(C(=O)NCCCO)nc4c3c21 2219745 GWNCGCKMZPLWAX-VIFPVBQESA-N 345.428 1.891 0 40 EDAB CCc1c(C)nn2c(O)cc([C@H]3CCN(C(=O)[C@H]4CCCO4)C3)nc12 100147075 OKPNFFVVVUAYQO-SWLSCSKDSA-N 344.415 1.801 0 40 EDAB Cc1[nH]c2c(C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cccc2c1C 29201553 QWZIAPIYZSOMOH-CYBMUJFWSA-N 349.456 1.939 0 40 EDAB Cc1cc(C(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)c(C)s1 46050704 PUGFYGMUTZISBC-HOCLYGCPSA-N 338.473 1.832 0 40 EDAB CNC(=O)[C@H](C)S(=O)(=O)Cc1coc(-c2ccc(OC)cc2)n1 46127554 HXYBPXXXZTZDNX-JTQLQIEISA-N 338.385 1.400 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 107721426 VXPXUYNZSJFAGW-YESZJQIVSA-N 340.383 1.460 0 40 EDAB CC(=O)N[C@@H](CC(=O)NC[C@@H](C)N1CCOCC1)c1cccs1 29961713 UNHJDEYPWMFYJI-OCCSQVGLSA-N 339.461 1.152 0 40 EDAB Cc1ccc(S(=O)(=O)N(Cc2ccccn2)C2CC2)cc1C(N)=O 46798085 LKEVSUNMVVXNKW-UHFFFAOYSA-N 345.424 1.842 0 40 EDAB O=C(NC[C@H]1CCOC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 47068500 SIUPCPDEFSXTSP-MRXNPFEDSA-N 345.443 1.485 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@H]3CCN4CCCC[C@H]34)CC2)on1 47105567 UWZBYBZJIMKTEF-DLBZAZTESA-N 347.463 1.437 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 110660779 RZPKBCYJGVXLAU-QAETUUGQSA-N 331.464 1.787 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccon1 95458457 FWVORGYXNZKJHY-ZDUSSCGKSA-N 341.364 1.755 0 40 EDAB C[C@@H](CNC(=O)Nc1cccnc1N1CCCC1)N1CCOCC1 48171652 VILRATDELXTBHB-AWEZNQCLSA-N 333.436 1.524 0 40 EDAB CN1C[C@H](c2ccccc2)[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1=O 107195725 CDNLXVCKFGRSIS-FRQCXROJSA-N 328.412 1.497 0 40 EDAB CN(CCOc1cccc(Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 48251529 ZXNGJVALTWYOFG-GFCCVEGCSA-N 346.836 1.547 0 40 EDAB COc1ccc([C@H](NC(=O)N2CCC(O)CC2)c2nccn2C)cc1 48232164 ISFPKTDDVZLAFY-INIZCTEOSA-N 344.415 1.684 0 40 EDAB COc1ccc(OCCC(=O)OCC(=O)NCc2ccco2)cc1 3304380 JALVESJFBAIXDX-UHFFFAOYSA-N 333.340 1.917 0 40 EDAB COCCCN1CC2=C(C1=O)[C@H](c1ccc(SC)cc1)NC(=O)N2 12879397 UNHUAWAOQNDUNA-HNNXBMFYSA-N 347.440 1.895 0 40 EDAB CC(C)N1CCC[C@H](N2CCN(C(=O)Nc3ccncc3)CC2)C1=O 96000160 OLBIOPYAIMSEEC-INIZCTEOSA-N 345.447 1.631 0 40 EDAB CNC(=O)CCNC(=O)c1cccn(Cc2cccc(C)c2)c1=O 63778646 BFSSZVRKWCMFFP-UHFFFAOYSA-N 327.384 1.071 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2cccn2Cc2cccs2)C1 93530789 KSKBHRJXHSUWLT-CYBMUJFWSA-N 339.486 1.721 0 40 EDAB CCOC(=O)[C@H](C)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 65208851 HDZFHULPDZCEGJ-INIZCTEOSA-N 347.459 1.811 0 40 EDAB Cc1cc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl 4392081 SSFSAMXXSFVVNT-LLVKDONJSA-N 331.821 1.639 0 40 EDAB CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)Nc2cn[nH]c2)cc1 72289163 AEAAPPBZPZNJGU-GFCCVEGCSA-N 331.376 1.483 0 40 EDAB CC(=O)N1CCCN(C(=O)NCCc2ccc3c(c2)OCCO3)CC1 65403205 SCAJHWPUXCWBCC-UHFFFAOYSA-N 347.415 1.264 0 40 EDAB CCN1CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1 65491201 ANJJXCPERQXLFW-UHFFFAOYSA-N 338.477 1.398 0 40 EDAB Cc1c(Br)c(C(=O)N2CCN3CCC[C@H]3C2)nn1C 4480420 MDMKHJCATUUBKH-JTQLQIEISA-N 327.226 1.411 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C1CCC1 65592451 RZRYLVKPVSUEPO-UHFFFAOYSA-N 335.835 1.905 0 40 EDAB Cc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 65620622 KFQSUSLFVZHJQV-CQSZACIVSA-N 349.406 1.836 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 65610000 ITIPMMLICYIVRV-HIFRSBDPSA-N 340.489 1.963 0 40 EDAB CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1 65608990 LKKOFEIJISBLBE-GFCCVEGCSA-N 335.404 1.752 0 40 EDAB C[C@@H]1CCc2c(sc(N)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 6455232 GCEXZGJFRJFHRJ-RKDXNWHRSA-N 328.459 1.372 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4505440 MNDLSCUKLJXMRC-LBPRGKRZSA-N 331.459 1.450 0 40 EDAB CCN(C(=O)c1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 4504896 ZKDXNUXHQYFYDY-MRVPVSSYSA-N 336.207 1.691 0 40 EDAB CCCN(Cn1ncc2ccccc2c1=O)[C@@H]1CCS(=O)(=O)C1 14254069 ICUVMEOHPDOCEQ-CQSZACIVSA-N 335.429 1.253 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1c(C)noc1C 14867719 LQOPPEPCCKRBFM-UHFFFAOYSA-N 344.414 1.804 0 40 EDAB COC(=O)CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1 24626826 ICKVFNLPVJLZHM-UHFFFAOYSA-N 339.823 1.459 0 40 EDAB Cc1sc(NC(=O)Cn2nnc3ccccc32)c(C(N)=O)c1C 71795848 QGTHFTGEQSMPGV-UHFFFAOYSA-N 329.385 1.847 0 40 EDAB NC(=O)c1ccccc1OCC(=O)NC[C@@H]1COc2ccccc2O1 4956309 NTUSFRAUNZRCQC-GFCCVEGCSA-N 342.351 1.121 0 40 EDAB C[C@H](O)C[C@@H]1COCCN1C(=O)NCCC1Cc2ccccc2C1 97162025 OVOPFYCDRODISB-KBXCAEBGSA-N 332.444 1.973 0 40 EDAB O=C1c2ccccc2C(=O)N1C[C@H](O)COCc1ccccc1F 7137228 BLJKZHPITXKJPS-ZDUSSCGKSA-N 329.327 1.999 0 40 EDAB Nc1cc(F)ccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 7374963 YTJCOTNMGJSYHN-UHFFFAOYSA-N 346.314 1.975 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccc(N3CCC(C)=N3)cc2)CC1 71881086 WEOCYNZVFQYVDS-SFHVURJKSA-N 344.459 1.801 0 40 EDAB COc1c(C)cnc(CN2CCN(C(=O)c3cnccn3)CC2)c1C 71893609 OTWVDFCJKOVECJ-UHFFFAOYSA-N 341.415 1.455 0 40 EDAB CC1CCN(C[C@H](O)CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)CC1 71825049 AHMIIVCZXLQMNV-RDJZCZTQSA-N 345.443 1.937 0 40 EDAB COC(=O)c1[nH]c(C)cc1NC(=O)c1cccc(-n2cnnn2)c1 71890915 MJSLTBFGISKNHV-UHFFFAOYSA-N 326.316 1.338 0 40 EDAB NC(=O)[C@@H]1CCCN1c1cc(NCCOc2ccccc2)ncn1 71859432 LPFSXWBXFAVBHA-AWEZNQCLSA-N 327.388 1.422 0 40 EDAB CCn1nc2c(cc1=O)CN(Cc1cnn(-c3ccccc3)n1)CC2 72302256 RGYODKAQUVVULM-UHFFFAOYSA-N 336.399 1.402 0 40 EDAB Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H](C)N1CCN(C)CC1 71921620 AGMFIRGRFKQMFF-ZDUSSCGKSA-N 345.896 1.563 0 40 EDAB O=C(N[C@H]1CCCN(c2cccc(F)c2)C1=O)N1CCC[C@H](CO)C1 71909618 BHBUNIGWVQMJLT-BBRMVZONSA-N 349.406 1.735 0 40 EDAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(c2ncccn2)CC1 8134772 ZNPQWRJLYGIXPN-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)c1ccccc1S(C)(=O)=O 69294678 CZEQKIPWSUTPJU-UHFFFAOYSA-N 326.418 1.077 0 40 EDAB C[C@H](O)CN1CCC(CNCc2nccn2CC(F)(F)F)CC1 69329708 CFTZWRFDJYYVQS-LBPRGKRZSA-N 334.386 1.628 0 40 EDAB O=C(CN(CCO)Cc1ccccc1)NC1CCC2(CC1)OCCO2 69325902 RORPBRIIVGAWEK-UHFFFAOYSA-N 348.443 1.283 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)N(C)c2nccs2)n1 69452951 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1.153 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)CCCc2ccccn2)CC1 69895587 PKGCUZRANFELIM-UHFFFAOYSA-N 341.459 1.872 0 40 EDAB Cc1cc(=O)c(C(=O)NCCO)nn1-c1cccc(C(F)(F)F)c1 96965248 GLEMWHOQISKOLY-UHFFFAOYSA-N 341.289 1.282 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 95953074 CYDSKLLXIPCOBQ-QGZVFWFLSA-N 326.400 1.672 0 40 EDAB O=C(NCCN1CCNCC1)[C@H]1C[C@@H]1c1c(F)cccc1Cl 95971542 NUOSMJDDESZXIE-RYUDHWBXSA-N 325.815 1.604 0 40 EDAB Cc1cc(O)cc(=O)n1CCn1c(C)nc2ccc(F)cc2c1=O 1547200732 AUBXQLOANYOCCI-UHFFFAOYSA-N 329.331 1.720 0 40 EDAB Cc1nc(NC(=O)[C@@H]2CNC(=O)N2)sc1Cc1ccc(F)cc1 89562593 DEOYQAIFKAUBRZ-NSHDSACASA-N 334.376 1.801 0 40 EDAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)NC[C@H]1CCCC[C@@H]1O 86334564 JAYSKZOLCVHPPQ-RISCZKNCSA-N 347.440 1.726 0 40 EDAB CN(Cc1ncnn1C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 89741156 YVBAKNNRJJLXMJ-BBRMVZONSA-N 345.378 1.132 0 40 EDAB CC1(C)CN(C(=O)Nc2ccc(-n3ccnn3)cc2)CC[S@@]1=O 89919626 UXQNLMPUWXWCGX-HSZRJFAPSA-N 333.417 1.642 0 40 EDAB COC[C@@H](C)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 89912543 LEWYNLJBRIRBJL-IEBWSBKVSA-N 345.487 1.830 0 40 EDAB CN(Cc1ccn(C)c(=O)c1)C[C@H](c1cccs1)N1CCOCC1 75603814 CAHACXQZJPIVQA-MRXNPFEDSA-N 347.484 1.952 0 40 EDAB C[C@H]1CN(C(=O)C(C)(C)n2cc(Cl)cn2)C[C@@H]1N1CCOCC1 76056812 ZSFZXUDTNIRSDL-JSGCOSHPSA-N 340.855 1.451 0 40 EDAB COC(=O)c1ccc(CS(=O)(=O)NCCCn2ccnc2)cc1 20450295 HFYJDTCZKPTIOC-UHFFFAOYSA-N 337.401 1.179 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)[C@H](CC(C)C)NC(N)=O)CC1 25056697 OZWPOEINHKGWMI-KRWDZBQOSA-N 346.475 1.722 0 40 EDAB CC(C)CN1C[C@@H]2[C@@H](NC(=O)c3ccco3)CCS(=O)(=O)[C@H]2C1 306141916 WJZGSAZEZLYNTM-IPYPFGDCSA-N 340.445 1.153 0 40 EDAB Cc1nc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2C)nn1-c1ccc(F)cc1 557408126 WNBPTFZCPNBQDC-XHDPSFHLSA-N 331.395 1.879 0 40 EDAB Cc1c(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)ccn1C(C)C 527558446 AIBLIWJIXWGSMZ-IPYPFGDCSA-N 331.420 1.780 0 40 EDAB OC[C@@H]1CCC2(CCOCC2)CN1Cc1nnnn1-c1ccccc1 528639128 ZRBMFOSRMZGHDV-INIZCTEOSA-N 343.431 1.416 0 40 EDAB COc1ccc(-c2ocnc2C(=O)NC[C@@H](O)[C@H]2CCCO2)cc1 529765587 BWQYBOAITIBEEA-ZIAGYGMSSA-N 332.356 1.620 0 40 EDAB CC1(C)[C@H](c2ccc(F)cc2)CCN1CCS(=O)(=O)CC(=O)O 530205025 BLIKOGMTHDJJLJ-AWEZNQCLSA-N 343.420 1.893 0 40 EDAB CSC[C@H](CCO)Nc1ncnc2c1c(Br)nn2C 77236867 BZSDJKNGEZRPIX-ZETCQYMHSA-N 346.254 1.652 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)Nc1cc(F)ccc1-n1cccn1 79028834 ASJKFQRJBVXFIZ-NSHDSACASA-N 329.339 1.813 0 40 EDAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2C)cc1 32508582 HCOYKRZHNYSYTE-STQMWFEESA-N 326.443 1.395 0 40 EDAB C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1nc(Cc2ccccc2)no1 79097434 YURRAAXUXJEILL-CHWSQXEVSA-N 337.445 1.914 0 40 EDAB COc1cccc(C(=O)NC(=S)Nn2c(C)nnc2SC)c1 33787395 MEEHCHJVPWCPIZ-UHFFFAOYSA-N 337.430 1.575 0 40 EDAB C[C@]12CCC(=O)N1[C@H](C(=O)OCc1ccccc1C(N)=O)CS2 78768695 CJSMHWWJGJORHH-LRDDRELGSA-N 334.397 1.283 0 40 EDAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)C(=O)NC1CC1 73743383 OJWNJTFVOLTJHX-UHFFFAOYSA-N 337.379 1.834 0 40 EDAB OC[C@H](Cc1ccc(F)cc1)NC[C@H](O)COCc1ccccc1 568391485 BKUXPGFTSVJOMP-OALUTQOASA-N 333.403 1.896 0 40 EDAB Cc1ccc(CNC(=O)Cn2ccnc2S(C)(=O)=O)cc1F 81272567 JECANXQLLMQJAA-UHFFFAOYSA-N 325.365 1.051 0 40 EDAB CC(C)OCCCNC(=O)c1c(-n2cnnn2)sc2c1CCC2 40282896 LGVACAJEIQWKCA-UHFFFAOYSA-N 335.433 1.757 0 40 EDAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)s1 224076309 CPBVWJRXOQYWNM-YIZRAAEISA-N 330.435 1.354 0 40 EDAB COCc1ccccc1S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)O 571757746 DQNQLKVEYKFNGF-LBPRGKRZSA-N 343.401 1.086 0 40 EDAB C[C@@H](CCO)CNC(=O)Cc1ccc(I)cc1 225414460 KPKRYPFESDCUOD-JTQLQIEISA-N 347.196 1.968 0 40 EDAB Cc1nc(COc2ccc(C(=O)N3CCC[C@H](O)CC3)cc2)no1 573161251 OLFMOQRDXIGQJA-AWEZNQCLSA-N 331.372 1.944 0 40 EDAB O=C(c1ccncn1)N1C[C@@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96042602 SHJBRSSLGCIRDJ-FMKPAKJESA-N 326.356 1.323 0 40 EDAB Cc1nc(CN2C[C@]3(CCN(Cc4cnn(C)c4)C3)CC2=O)cs1 96050903 JHGDJCDGRPPKMC-QGZVFWFLSA-N 345.472 1.810 0 40 EDAB COC[C@H]1CN(S(=O)(=O)c2ccccc2C)Cc2cn(C)nc21 96197980 OBDLKQYMHWCVQJ-CQSZACIVSA-N 335.429 1.663 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)NCc1nccn1Cc1ccccc1 96439831 YGJNISYFAXIXMS-CQSZACIVSA-N 339.403 1.411 0 40 EDAB CCCS(=O)(=O)N1CCC[C@]2(C[C@H](Oc3ncccn3)CO2)C1 96222658 ZBBJOWYLWRNOGL-ZFWWWQNUSA-N 341.433 1.219 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1ccoc1)C2 96238091 RWMPGXVXHSJQIU-QGZVFWFLSA-N 345.424 1.904 0 40 EDAB CN(C)C(=O)CO[C@@H]1COC2(CCN(Cc3cccs3)CC2)C1 96047815 DEGGHWNGNZRESE-AWEZNQCLSA-N 338.473 1.976 0 40 EDAB Cn1cc(CN2C[C@@H](OCc3ccncc3)[C@@H]3OCCC[C@@H]32)cn1 96110769 RTZJJRIYCHUMPH-RCCFBDPRSA-N 328.416 1.764 0 40 EDAB CCOC(=O)[C@]12CCCN(Cc3cnn(C)c3)C[C@H]1CN(C(C)C)C2 96055902 BOSWMNVQIOZMOC-HKUYNNGSSA-N 348.491 1.906 0 40 EDAB COCC(=O)N1CCC2(CC1)CO[C@@H](COCc1ccncc1)C2 96208763 QNMOPIRLFFNCGK-MRXNPFEDSA-N 334.416 1.642 0 40 EDAB OCCOCCn1nnc(-c2cc(F)ccc2Br)n1 96411910 WUCSZOBGGCHFRV-UHFFFAOYSA-N 331.145 1.251 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@](O)(c1ccccc1)C1CC1 96025983 YXSYSTQVJDNFJZ-QGZVFWFLSA-N 349.456 1.613 0 40 EDAB CCc1cnc(N2CCc3ncnc(-c4cnn(C)c4)c3CC2)nc1 96255200 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AZEAPQFTIBTMKE-HNNXBMFYSA-N 349.435 1.653 0 40 EDAB CS(=O)(=O)c1ccc(NCC(=O)N2CCCSCC2)cc1 585140858 LUVMHIBBISULKB-UHFFFAOYSA-N 328.459 1.468 0 40 EDAB Cn1nccc1CNS(=O)(=O)C1(COCc2ccccc2)CC1 585135202 OIPMVTPHFYXAMJ-UHFFFAOYSA-N 335.429 1.589 0 40 EDAB CC(=O)Cn1c(N(C)Cc2ccccc2)nc2c1c(O)nc(=O)n2C 585158423 ASEASVKCNABVOS-UHFFFAOYSA-N 341.371 1.061 0 40 EDAB COC[C@]1(C(N)=S)[C@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 252515249 IACDCIOXDGHDNU-WZRBSPASSA-N 333.862 1.769 0 40 EDAB CNc1cncc([C@@H]2CCCN2C(=O)c2ccnc(NC(C)=O)c2)n1 257304918 SNQUIQNQFDDXGO-AWEZNQCLSA-N 340.387 1.849 0 40 EDAB CCn1ncnc1CNC(=O)NC[C@@H]1CC(c2ccc(C)cc2)=NO1 252510738 ZPLUXOPILVILJS-AWEZNQCLSA-N 342.403 1.599 0 40 EDAB C[C@]1(C(N)=O)CN(C(=O)c2ccnc(Cc3ccccc3)c2)CCO1 257253694 JZXLPBFFJGKPPI-LJQANCHMSA-N 339.395 1.389 0 40 EDAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2cccnc2)cc(N(C)C)n1 257282596 OUKQUADJCLRWTI-OAHLLOKOSA-N 347.444 1.772 0 40 EDAB CS(=O)(=O)c1ccc(CN2CC[C@H](O)[C@]3(CCCO3)C2)cc1 257300003 RSNDGHIBLXZRLA-HOTGVXAUSA-N 325.430 1.206 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)c3cnn4cccnc34)CCO2)n1 257229514 FYJORBZKSSHFEN-CQSZACIVSA-N 338.371 1.380 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CC[C@@H](Oc2cnsn2)C1 618257057 PTHCQECSPDLAAI-SECBINFHSA-N 333.398 1.836 0 40 EDAB COc1ccccc1N(CCC(=O)O)S(=O)(=O)c1cnn(C)c1 548536555 JXTJBFLYWXCIKY-UHFFFAOYSA-N 339.373 1.099 0 40 EDAB Cc1ccc(NC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)cc1S(C)(=O)=O 626461498 FMBGDJMHAVDMBG-KLPPZKSPSA-N 339.417 1.126 0 40 EDAB OCCOCCCNC1[C@H]2COC[C@H]1CN(Cc1ccccc1)C2 1616178097 RUAWUFFMWLSEQF-QZTJIDSGSA-N 334.460 1.122 0 40 EDAB COC(=O)c1ccccc1N(C)C(=O)CS(=O)(=O)c1ccccc1 390834117 SFZCSLVJTSHARF-UHFFFAOYSA-N 347.392 1.910 0 40 EDAB Cn1cccc(C(=O)NC[C@](O)(c2ccoc2)c2ccco2)c1=O 390827180 USHIRDSXJUNFCD-KRWDZBQOSA-N 328.324 1.237 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)C3(F)CCC3)C[C@@H]21)c1cccnc1 575406335 ZUFJYUJDPJGPKW-RBSFLKMASA-N 347.390 1.177 0 40 EDAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)[C@@H]2CCOC2)C3)n1 575406036 VNWLIHKWWRHKJC-WBVHZDCISA-N 346.427 1.703 0 40 EDAB Cc1ccccc1C(=O)N1C[C@H]2OC[C@@H](CC(=O)NC3CC3)[C@H]2C1 585108591 WUPCPBVZBNUACZ-KBRIMQKVSA-N 328.412 1.751 0 40 EDAB CC(=O)N(C)[C@H]1CCOC2(CCN(CC3(O)CCOCC3)CC2)C1 585284480 SOFQIWXBRBDSPB-INIZCTEOSA-N 340.464 1.020 0 40 EDAB Cc1nc(S(=O)(=O)NCC(=O)NCCC2=CCCCC2)cn1C 69420264 REFWOPXMOHSHPI-UHFFFAOYSA-N 340.449 1.014 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)N[C@@H]1CCc2nc(C)nn2C1 69654973 HNWWIXAPRRYEKH-SGMGOOAPSA-N 345.451 1.686 0 40 EDAB c1ncc(N2CCC[C@@H]2c2cncc(CN3CCOCC3)n2)cn1 72366114 XXBVWHSTEIVYNL-QGZVFWFLSA-N 326.404 1.440 0 40 EDAB COc1cccc([C@H](NC(=O)NC[C@@H]2CCCO2)c2nccn2C)c1 47594361 TUSTWDNABXQPHY-HOTGVXAUSA-N 344.415 1.996 0 40 EDAB CCNC(=O)CNC(=O)NCc1ccc(NC(=O)NC(C)C)cc1 61377343 OSXBKXPBIKKNBF-UHFFFAOYSA-N 335.408 1.152 0 40 EDAB CC(C)N(CCCNCc1cccc2c1OCO2)S(C)(=O)=O 40119958 NUSPMOVJVPVAPE-UHFFFAOYSA-N 328.434 1.565 0 40 EDAB COc1ccc(C(=O)N2C[C@H](C)[C@@H](N(C)C)C2)cc1N1CCNC1=O 78896615 XAGURPWOALFKTE-WFASDCNBSA-N 346.431 1.247 0 40 EDAB Cc1cc(C)n2cc(CN3CCC(N4CCN(C)C4=O)CC3)nc2n1 75604043 SACPAEJXTWMCFO-UHFFFAOYSA-N 342.447 1.678 0 40 EDAB Cn1ccnc1C(=O)c1ccc(NC(=O)COC[C@H]2CCCO2)cc1 78680466 KEKFZXYCNYFGAL-OAHLLOKOSA-N 343.383 1.785 0 40 EDAB O=c1/c(=C\c2ccc3c(c2)OCO3)sc2nnc(-c3ccco3)n12 5723197 HTWRBHOQZOJEDI-NTUHNPAUSA-N 339.332 1.687 0 40 EDAB O=C(C[C@H]1CSc2nccc(=O)n21)Nc1ccc2c(c1)OCO2 12236265 NTHVCDCUUMZVPJ-JTQLQIEISA-N 331.353 1.648 0 40 EDAB Cc1cccc2c(=O)c(NC(=O)NCCCN3CCOCC3)c[nH]c12 13565884 DGPPJBFEIRFKNL-UHFFFAOYSA-N 344.415 1.680 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCc1nc(N(C)C)ncc1-c1ccncc1 19495868 SNEYQXBWMAQRCD-JSGCOSHPSA-N 325.416 1.919 0 40 EDAB CCc1cc(CNC(=O)Cn2nnc(-c3cccc(OC)c3)n2)on1 19522803 VKOJIMMHXGABEC-UHFFFAOYSA-N 342.359 1.216 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)cn1 106776210 OLIQHYBPTWZDHV-JYJNAYRXSA-N 334.464 1.075 0 40 EDAB O=C([C@@H]1CCCN(c2nc3cnccc3s2)C1)N1CCOCC1 1889114172 PCPXNMYJMPFQRC-GFCCVEGCSA-N 332.429 1.767 0 40 EDAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)N2CCCC2)cc1 16368924 PGCFAYOOKREKGV-GFCCVEGCSA-N 347.444 1.833 0 40 EDAB CCc1c(C(=O)NC2=NCCS2)cnn1-c1ccc(OC)nn1 24802303 HCTGSLZHARDPFP-UHFFFAOYSA-N 332.389 1.066 0 40 EDAB CC1CC(C(=O)N2CCC[C@@]3(C2)CN(CCN2CCCC2)C3=O)C1 1614929582 DXQNSVJNWOJQJC-LADRWXRNSA-N 333.476 1.579 0 40 EDAB O[C@H]1CCCC[C@@H]1N1CCN(c2ccc(-n3cccn3)nn2)CC1 2087122237 ZMCOKDPXAYYBFC-GJZGRUSLSA-N 328.420 1.088 0 40 EDAB CC(C)N1CCO[C@@H]2CN(C(=O)c3ncc(Cl)cn3)CC[C@@H]2C1 1565546165 WICZVZYAJVEPEB-TZMCWYRMSA-N 338.839 1.701 0 40 EDAB COC[C@H]1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CN1CC1CC1 1565542401 VBZIKSORERDJST-OAHLLOKOSA-N 347.463 1.168 0 40 EDAB COCCN1C(=O)CC[C@@]12CCCN(C(=O)C1(F)CCC1)CC2 1565545239 XYDQKMHTWVKWGG-MRXNPFEDSA-N 326.412 1.899 0 40 EDAB O=C(CCc1cncnc1)N1CCC[C@@]2(C[C@@H](n3ccnc3)CO2)C1 1565549100 PUXRDNLWHAPHNF-SJLPKXTDSA-N 341.415 1.629 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 3086380 GZMIIXJVSILWAP-NEPJUHHUSA-N 326.374 1.164 0 40 EDAB COc1cccc(CNC(=O)Cn2nc(-c3ccco3)ccc2=O)c1 5387942 VJBJARVQDSXEFX-UHFFFAOYSA-N 339.351 1.828 0 40 EDAB COc1cccc(CNC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)c1 5353077 FNJDESMOLOEMGG-OAHLLOKOSA-N 348.399 1.113 0 40 EDAB CN(C)[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccsc1 8863594 IXWZFYDFVSAZFD-HNNXBMFYSA-N 349.431 1.923 0 40 EDAB COCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10324032 WFARQCCGCZNJCJ-NSHDSACASA-N 326.418 1.164 0 40 EDAB CNC(=O)C1(Nc2cccc(F)c2)CCN(c2ncccn2)CC1 2055739301 QPFLMQQFTJXRBC-UHFFFAOYSA-N 329.379 1.813 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2ccc(C)c(C)c2)C1 2055771729 SMQRFCRCKAJZCM-LJQANCHMSA-N 340.427 1.877 0 40 EDAB O=C(N[C@@H]1CCC12CCN(C(=O)[C@H]1CCOC1)CC2)c1cnccn1 2055803584 MRUCVWJVKMDTLY-DZGCQCFKSA-N 344.415 1.014 0 40 EDAB O=S1(=O)CC[C@@H](Nc2ncnc3c2cnn3-c2ccc(F)cc2)C1 14220338 HPHUJGPKMUXDAV-LLVKDONJSA-N 347.375 1.554 0 40 EDAB Nc1ncc(CN2CCN(CCOc3ccccc3F)CC2)cn1 19368134 JHZNLDRKZIEFCT-UHFFFAOYSA-N 331.395 1.395 0 40 EDAB CCc1cc(NC[C@@H](O)COc2cccc(F)c2)n2ncnc2n1 52238658 IBTBQPKUKMJKFY-CYBMUJFWSA-N 331.351 1.678 0 40 EDAB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC)nc2)C1 40092580 SJYOELCBJOFSHG-LBPRGKRZSA-N 341.433 1.481 0 40 EDAB CCCCc1noc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)n1 40489793 PWDAOIFFGHJNHK-AWEZNQCLSA-N 336.436 1.483 0 40 EDAB CCN(CC)CCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 40477493 BYCFHYITYBBBFJ-UHFFFAOYSA-N 348.490 1.247 0 40 EDAB Cc1cccc(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100848256 PYHXNQKHAPMCCM-DARAHFNDSA-N 339.395 1.924 0 40 EDAB aggregator CC(C)Oc1ncccc1CNC(=O)c1cnc2n(c1=O)CCS2 40541056 YXLNXPQUXPIVKD-UHFFFAOYSA-N 346.412 1.461 0 40 EDAB NS(=O)(=O)N1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 102165902 HQTSMYHZUDHOIT-UHFFFAOYSA-N 343.792 1.048 0 40 EDAB O=C1NCCCC[C@H]1Sc1nc2ccccc2c(=O)n1CCCO 32871645 OHMNXCBGVVROBC-CQSZACIVSA-N 347.440 1.540 0 40 EDAB O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1ccc(N2CCOCC2)nc1 32932459 HFWJRJNXNNAXTG-CVEARBPZSA-N 330.432 1.275 0 40 EDAB C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N(C)CC(N)=O 52831491 MYFUIERGUUFUEW-LBPRGKRZSA-N 347.415 1.862 0 40 EDAB COc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2N)c1 530223 ZDTBMZRXIBALLO-UHFFFAOYSA-N 345.384 1.991 0 40 EDAB Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccncc1 531891 LNYDMJSPFCYKPM-UHFFFAOYSA-N 344.375 1.924 0 40 EDAB O=C(Nc1nc2ccccc2nc1N1CCCC1)[C@@H]1COCCO1 41792285 XUFUBBUPELHURK-AWEZNQCLSA-N 328.372 1.584 0 40 EDAB CC(=O)N1CCC(NS(=O)(=O)c2cccc3cc(C)cnc23)CC1 41839265 DOWKVYJNJIVAPJ-UHFFFAOYSA-N 347.440 1.832 0 40 EDAB CCOC(=O)[C@]1(NC(=O)CNC(=O)[C@H](C)CC)CCc2ccccc21 72283332 MAPHDCKBJYKODN-YJYMSZOUSA-N 346.427 1.670 0 40 EDAB Cn1cc(/C=C/C(=O)N[C@@H](c2ccccc2)C2CC2)c(=O)n(C)c1=O 24027857 HZEZTFUSTQSNLC-DVQDXYAYSA-N 339.395 1.365 0 40 EDAB Nc1nccnc1C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 78727061 GIWBYTCZCBGYFN-LBPRGKRZSA-N 326.356 1.807 0 40 EDAB O[C@@H](COCc1cccs1)CN1CCn2c(nnc2C2CC2)C1 78788194 NXPFSPFZWCUOCP-CYBMUJFWSA-N 334.445 1.610 0 40 EDAB CCc1ccc([C@@H](CNC(=O)N2CCO[C@H](CO)C2)N(C)C)cc1 78832529 DIEGUQWUXHILGJ-DLBZAZTESA-N 335.448 1.254 0 40 EDAB CCOc1ccc(/C=C/C(=O)NCc2cc(C(N)=O)no2)cc1OC 79096804 GYFYQMNYHWHFOX-FNORWQNLSA-N 345.355 1.510 0 40 EDAB CCNC(=O)CN1CCN(C(=O)C/C=C/c2ccccc2F)CC1 79020628 MEYXHCCMWRZEAR-FNORWQNLSA-N 333.407 1.509 0 40 EDAB COc1ccc(-c2nc(N)nc3c2CN(CCC(=O)O)C3=O)cc1 1725298 AJFWNCANXQPRLI-UHFFFAOYSA-N 328.328 1.165 0 40 EDAB Cc1ccsc1CNC(=O)Cc1ccc(S(N)(=O)=O)s1 24696026 QGFVXGFIYRGTID-UHFFFAOYSA-N 330.456 1.624 0 40 EDAB CCN(CC(=O)NC(=O)NC)[C@H]1CCN([C@H](C)c2ccccc2)C1 106160306 UYJHGQRMIRMHOU-ZBFHGGJFSA-N 332.448 1.599 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 106137204 PMWFLIAWHOQBJC-FHLIZLRMSA-N 329.444 1.949 0 40 EDAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(N)=O 3010519 IJAOJHNCSROCQF-VXGBXAGGSA-N 327.425 1.402 0 40 EDAB CC[C@@H](C)[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1Cl)C(=O)O 3205667 BFVLJADCRQKHHY-HQJQHLMTSA-N 349.792 1.816 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-n2ccnc2)nc1 24900758 WGHXOWMXTCKZBZ-NSHDSACASA-N 325.328 1.617 0 40 EDAB CCOCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1 4384599 OXMLWYFINCMVDB-UHFFFAOYSA-N 343.430 1.927 0 40 EDAB COC(=O)c1ccc(CCNC(=O)CN2CCCCCC2=O)cc1 25078661 BQBFEEVEXMYNIK-UHFFFAOYSA-N 332.400 1.535 0 40 EDAB Cc1cc(CN(C)C(=O)CCn2nnc3ccccc3c2=O)no1 25137713 DMDLRIZKVGWBJY-UHFFFAOYSA-N 327.344 1.137 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NC1CCCC1 4984924 JCTHGCDLCSDCES-MRXNPFEDSA-N 341.411 1.697 0 40 EDAB C[C@@H]1CN(C(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CCO1 72294533 IDDMFLMWHDHHCH-SNVBAGLBSA-N 346.366 1.931 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCN(C)CC2)c(C)c1 97598527 MOQGXUBNJPRMHM-OAHLLOKOSA-N 325.478 1.218 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 107049139 SKYHWDMREZQOCT-LUKYLMHMSA-N 340.464 1.018 0 40 EDAB O=C(Cn1ccccc1=O)NCCc1cc(Cl)c2c(c1)OCCO2 25402773 XOZSJVSYMUCEBA-UHFFFAOYSA-N 348.786 1.632 0 40 EDAB O=C(c1ccc[nH]1)N1CC[C@H]2CN(c3ncccn3)CCO[C@H]2C1 107256403 WYVUBWCLPCAMLG-ZFWWWQNUSA-N 327.388 1.172 0 40 EDAB CCOC(=O)C1(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)CCCC1 56368850 PTERWGQLFKMNTF-CQSZACIVSA-N 346.431 1.685 0 40 EDAB O=S(=O)(c1ccc(NC[C@H]2CCCO2)nc1)N1CCCCC1 25784397 SNTUGHYZBVCXQM-CYBMUJFWSA-N 325.434 1.847 0 40 EDAB CNC(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 107316692 ZUJXNWWFDBVAJE-PWNZVWSESA-N 331.416 1.149 0 40 EDAB CN1CCO[C@@H](C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)C1 107587217 NORALIKTAHVAEI-HZPDHXFCSA-N 348.834 1.573 0 40 EDAB COC(=O)c1ccc(/N=c2\sc(C(=O)OC)cc(=O)n2C)cc1 101487500 GZVUJYBCMKMBPG-NXVVXOECSA-N 334.353 1.252 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(C(F)(F)F)cc1 8510905 QENCCKVWUCRNEK-UHFFFAOYSA-N 338.351 1.852 0 40 EDAB Cc1cccc2c1NC(=O)[C@@]21N[C@@H](C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 102753541 DHPOEPXCIQUBMS-ZJGWCVBLSA-N 341.411 1.534 0 40 EDAB Cn1ncc2c(=O)[nH]c(N3CCN(c4cccc(Cl)c4)CC3)nc21 57840476 PXNOLKCQIHYQFW-UHFFFAOYSA-N 344.806 1.637 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)NCC1(c2ccccc2OC)CCOCC1 58159454 GPVWLGWGQDAQSA-CYBMUJFWSA-N 349.431 1.177 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)Cn1c(C2CC2)nc2ccccc21 58280764 DKCTUAMGKDOQQD-UHFFFAOYSA-N 328.416 1.945 0 40 EDAB NC(=O)COC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 58263890 VFNIRLOTFGSJFV-UHFFFAOYSA-N 328.353 1.638 0 40 EDAB CCN(C(=O)/C=C/c1ccc(C(=O)NC)cc1)[C@H]1CC(O)=NC1=O 58210861 KCCSCYJOCJIADB-PPGNKHEKSA-N 329.356 1.163 0 40 EDAB CCN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)CC1 9753859 IPMVKZUXEJJANM-UHFFFAOYSA-N 339.461 1.023 0 40 EDAB O=c1oc(-c2ccc(F)cc2)nn1C[C@H](O)COCc1ccco1 44907267 HNGVZNJMFHPBDG-ZDUSSCGKSA-N 334.303 1.813 0 40 EDAB O=C(CCNc1ncccn1)NC[C@H]1CCN(CC(F)(F)F)C1 58392459 NBMFORQYCRHEHM-LLVKDONJSA-N 331.342 1.279 0 40 EDAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccccc2)n1C 2450306 VGAPGYUMKXHZAX-UHFFFAOYSA-N 334.401 1.254 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@H](c2ccccc2F)N1 11665679 HQAROHKMNRQBEB-BONVTDFDSA-N 331.347 1.455 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 45951223 RFAQZONVPVEIED-LLVKDONJSA-N 334.372 1.116 0 40 EDAB Cc1[nH]c(=O)n(-c2cccc(Br)c2)c(=O)c1CC(=O)O 20156488 LYXJYTAEHXHEGJ-UHFFFAOYSA-N 339.145 1.224 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1cnn(C)c1C(F)F 102738719 WGSYYGFXYNPKSV-UUTMEEIUSA-N 327.331 1.675 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccnc2)n2nc(C)nc2N1 10157082 NVIYXBBFKXYMQU-OAHLLOKOSA-N 340.387 1.129 0 40 EDAB CCS(=O)(=O)NCCNC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 62486659 LLYBQNZNGSMCMN-VTXSZYRJSA-N 329.466 1.146 0 40 EDAB Cc1ccc(CNC(=O)NCc2ccnc(N3CCOCC3)c2)n1C 48354552 XINOVHHXXLUMAD-UHFFFAOYSA-N 343.431 1.565 0 40 EDAB CCn1nnc2cc(C(=O)N[C@H](C)c3nnc4ccccn34)ccc21 48374329 ABOJIWBJHOVMGW-LLVKDONJSA-N 335.371 1.985 0 40 EDAB O=C(c1ccccn1)N1CCN(S(=O)(=O)c2ccccc2)CC1 3408366 VIWQKGGFYAEGES-UHFFFAOYSA-N 331.397 1.228 0 40 EDAB CCn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1-c1cccs1 3522041 ZIASJQOSCVDCLD-ZETCQYMHSA-N 325.419 1.702 0 40 EDAB Cc1nc2ccccc2nc1N1CCN(CC(=O)NC(C)(C)C)CC1 12916355 AFKARUFYZZQUKY-UHFFFAOYSA-N 341.459 1.975 0 40 EDAB CCOC(=O)C1=C(COC(=O)Cc2ccccc2C)NC(=O)NC1 12985932 UVIMYDKVMYYQJK-UHFFFAOYSA-N 332.356 1.211 0 40 EDAB CC(=O)Nc1ncccc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 96012042 PXXHZTTUVBJPDW-GFCCVEGCSA-N 330.388 1.770 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc(CS(C)(=O)=O)cc2)no1 63897261 GFHQKLNGWXOXIH-LLVKDONJSA-N 337.401 1.967 0 40 EDAB Cc1noc(CCCNS(=O)(=O)N2CCC[C@@H]2c2ccco2)n1 84286684 JALUWJATOSRAIB-GFCCVEGCSA-N 340.405 1.575 0 40 EDAB Cc1noc(-c2ccnc(-n3cnc(C(=O)N4CCOCC4)c3)c2)n1 65250893 SLCXGJWQWFHJFR-UHFFFAOYSA-N 340.343 1.098 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@@H]2CCc3nccn3C2)nn1-c1ccccc1 65463106 DXJZNJUGOCIAIJ-CQSZACIVSA-N 349.394 1.482 0 40 EDAB CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(C)CC1 65541038 KKIPWFNRNUAUIQ-MAUKXSAKSA-N 343.471 1.760 0 40 EDAB COc1cccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)c1 65515926 TXFQRCMNLVFZLU-UHFFFAOYSA-N 341.367 1.553 0 40 EDAB O=C(NCC1CC1)[C@H]1CSCN1S(=O)(=O)c1cccc(F)c1 65519278 OIGXZAVOYHFZSZ-CYBMUJFWSA-N 344.433 1.416 0 40 EDAB O=C(CNC(=O)C1CC1)N[C@H](Cc1ccccc1)CN1CCCCC1 65537135 XMDBGPCVCAZGDO-GOSISDBHSA-N 343.471 1.726 0 40 EDAB COC(=O)[C@H](NC(=O)c1cnn2ccn(C)c12)c1cccc(C)c1 65528981 LTYGSTWFUGJMIX-CQSZACIVSA-N 326.356 1.625 0 40 EDAB CCS(=O)(=O)c1ccc(C(=O)NC[C@H](C(C)C)N(C)C)cc1 65622122 RQVGIDCVSIFUEQ-OAHLLOKOSA-N 326.462 1.796 0 40 EDAB COC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@H]21 6498211 PRQQFNDOCVAYKE-FXPVBKGRSA-N 349.389 1.751 0 40 EDAB NC(=O)C1CCN(C(=O)CN2CCc3sccc3[C@H]2C2CC2)CC1 9460207 YJRHLFISZMORCW-QGZVFWFLSA-N 347.484 1.781 0 40 EDAB O=C([C@@H]1CCCCN1C(=O)CCc1ccccc1)N1CCOCC1 66485908 PTJMWLNMCYCZAT-KRWDZBQOSA-N 330.428 1.859 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(c2nc3ccccc3o2)CC1 71795611 JDVCFCVTGUTELT-CYBMUJFWSA-N 348.424 1.969 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC[C@H](N2CCNC2=O)C1 71841721 XNCTYVOPWDIPBQ-XEZPLFJOSA-N 345.399 1.231 0 40 EDAB O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCCSCC3)SC[C@@H]2N1 71853592 RGJOTSXMKOQDIG-OBJOEFQTSA-N 343.518 1.678 0 40 EDAB CN1CCN(Cc2ccc(CNC(=O)Nc3ccn(C)n3)cc2)CC1 71883934 DSSUGCITTPOFBR-UHFFFAOYSA-N 342.447 1.489 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1CCS(=O)(=O)C1 7436103 UXQJSWDYISUBTE-CQSZACIVSA-N 347.440 1.540 0 40 EDAB CCN(CC)[C@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1 71847127 UOMNGZFXYKMCLU-HOCLYGCPSA-N 338.473 1.620 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)c3cc(C(N)=O)cn3C)cn2)n1 87099407 NAVDVRYFOOVRPQ-UHFFFAOYSA-N 338.371 1.574 0 40 EDAB CCc1ccccc1-n1cc(O)c(C(=O)NCCc2cnn(C)c2)n1 95409472 LSTHUHVWADMWGV-UHFFFAOYSA-N 339.399 1.846 0 40 EDAB COc1ccccc1OCC(=O)NCCC(=O)Nc1ccc(C)cn1 69462347 KKZAVHSVSVERIE-UHFFFAOYSA-N 343.383 1.922 0 40 EDAB COc1ccc(CNC(=O)NCC(=O)Nc2ccccn2)cc1OC 83960310 VIHUOZHCAGTSHW-UHFFFAOYSA-N 344.371 1.537 0 40 EDAB CCOC(=O)N1CCN(C(=O)CNc2cccc(C(C)=O)c2)CC1 21887085 FPOJPGNSXPJWEK-UHFFFAOYSA-N 333.388 1.602 0 40 EDAB Cc1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(C)c1 69588577 BIVJGDPNUGSREW-QGZVFWFLSA-N 331.460 1.976 0 40 EDAB Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C)CCC(C)C)cn1C 69535391 XHLDHASYSHJHLO-GFCCVEGCSA-N 344.481 1.338 0 40 EDAB CN1C(=O)C[C@H](NC(=O)Cc2ccn[nH]2)[C@H]1c1ccc(Cl)cc1 91769837 HRZADMGGXNEOBX-XJKSGUPXSA-N 332.791 1.694 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)C2 69664997 FVAMKDYISOVGSR-NWDGAFQWSA-N 345.369 1.639 0 40 EDAB CN(CCO)C[C@@H](CC(=O)Nc1ccc(C(F)(F)F)nc1)C(=O)O 72404932 VHKREXATDICAFC-SECBINFHSA-N 349.309 1.054 0 40 EDAB C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)CCCCC(=O)N(C)C 69869355 HEWMBVNYRNRYBU-CYBMUJFWSA-N 340.445 1.687 0 40 EDAB Cc1nnc2ccc(N3CCN(Cc4nnc(C5CC5)o4)CC3)nn12 69951974 CJTOZDZRDNJRQW-UHFFFAOYSA-N 340.391 1.015 0 40 EDAB C[C@@H](Sc1ccc2c(c1)CCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1 8745304 SEZPLCTUNIEFAX-BXUZGUMPSA-N 339.482 1.959 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1)N1CCO[C@H](Cn2cccn2)C1 71185548 DDBJKZKBLZGQCW-RDJZCZTQSA-N 328.416 1.289 0 40 EDAB O=C(NCc1ccccc1)C1CCN(c2ncnc3[nH]cnc23)CC1 9059740 AELXQMNHCIHMGG-UHFFFAOYSA-N 336.399 1.886 0 40 EDAB CC(C)c1nc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)no1 72232111 PZWMYVRFKRBVIJ-LBPRGKRZSA-N 330.388 1.912 0 40 EDAB C[C@H](CN1CCOCC1)Nc1ncccc1I 95400217 JWMUYBOIMZEVAV-SNVBAGLBSA-N 347.200 1.819 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)c1sc(N(C)C)nc1C 95981809 LMSVQZDMUIFUSQ-SNVBAGLBSA-N 334.449 1.936 0 40 EDAB Cc1ccc(N2CCC(C(=O)NCc3csc(=O)[nH]3)CC2)nc1 89508257 BZISWTMRBMGISM-UHFFFAOYSA-N 332.429 1.673 0 40 EDAB C[C@@H](NC(=O)CSc1nccn1C)c1nnnn1-c1ccccc1 75139816 ZNFDROALBMYLIV-LLVKDONJSA-N 343.416 1.365 0 40 EDAB CC(C)c1nn(C)c2sc(C(=O)N3CCS(=O)(=O)CC3)cc12 89891229 KNOVCTURVUAIDT-UHFFFAOYSA-N 341.458 1.629 0 40 EDAB C[C@H](C(=O)N1CCN(C(=O)NC2CCCCC2)CC1)n1cncn1 75712948 HKDWZNOFWGKFGV-CYBMUJFWSA-N 334.424 1.026 0 40 EDAB COC[C@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1ccc(C)cc1)C2 306144326 ZCJVWUGKLKINLL-HNNXBMFYSA-N 338.473 1.726 0 40 EDAB CCn1cc(CN2CCn3cc(CC(=O)NC4CC4)nc3[C@H]2C)cn1 306138531 RZXDPLMPCOQTAL-CYBMUJFWSA-N 342.447 1.497 0 40 EDAB O=C(NCCCC(=O)N1CC(n2ccnc2)C1)NC1CCCCC1 522251606 XDGYAOMPIIZXBB-UHFFFAOYSA-N 333.436 1.679 0 40 EDAB Cc1c([C@H]2CN(Cc3ccnn3C(C)C)C[C@@H]2C(N)=O)cnn1C 527575725 DHSDORYCQLCAQN-CVEARBPZSA-N 330.436 1.207 0 40 EDAB Cc1ccc(F)cc1CN1CCO[C@H](CNC(=O)c2ccn(C)n2)C1 1035604157 HJJJEJDVVWCXTA-MRXNPFEDSA-N 346.406 1.498 0 40 EDAB CN1C(=O)CO[C@H](C(=O)Nc2nccs2)[C@@H]1c1ccccc1F 72241639 AFRHDHRJWWOIOZ-STQMWFEESA-N 335.360 1.819 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218523221 RSPXKHMQBUSDDP-NUJGCVRESA-N 345.420 1.964 0 40 EDAB Cc1ccc(F)c(NC(=O)C(=O)NCCc2nc(C(C)C)no2)c1 77842505 IYZUSAYLQJNEDZ-UHFFFAOYSA-N 334.351 1.938 0 40 EDAB Cc1cc(C)n([C@@H](C)C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)n1 73118923 HPUQTCOJUDQDBD-KGLIPLIRSA-N 335.477 1.696 0 40 EDAB CN1C(=O)CC[C@H](C(=O)N2CCc3ccccc32)[C@H]1c1cnn(C)c1 79359168 WTYMUBUTYGTWSD-MAUKXSAKSA-N 338.411 1.919 0 40 EDAB CNC(=O)[C@@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3)c2)C1 72543461 KLVYXOPVIXFUIG-OAHLLOKOSA-N 341.415 1.921 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@@]2(N)C(=O)O)cc1 218644471 RZYWPJMBWLNCHT-VYDXJSESSA-N 349.383 1.856 0 40 EDAB Cc1nnnn1-c1ccccc1C(=O)NCc1ccc2c(c1)OCO2 71286807 NDPINKRMZVNSNU-UHFFFAOYSA-N 337.339 1.629 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@]2(CC(=O)O)CCOC2)cc1Cl 566118576 XPCMTURGCXFACU-CYBMUJFWSA-N 333.793 1.561 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)NCC3CC3)cn2)C1 72368712 KUOOHZNTPGOTHV-CQSZACIVSA-N 337.445 1.360 0 40 EDAB Cn1nccc1C(=O)N1CCC(c2cccc(CCC(N)=O)n2)CC1 72360519 OMFJJOQCKDFGEC-UHFFFAOYSA-N 341.415 1.253 0 40 EDAB CN1CCN(C(=O)c2ccc(Cl)cc2)C[C@@](O)(Cn2cccn2)C1 72354435 MYQXRRKSQKXQHJ-QGZVFWFLSA-N 348.834 1.355 0 40 EDAB CNC(=O)c1cn[nH]c1C1(C)CCN(C(=O)c2scnc2C)CC1 72388925 OTZUPIDLUAGYDD-UHFFFAOYSA-N 347.444 1.728 0 40 EDAB O=C(NCc1nc(-c2ccccc2)no1)c1nnn(-c2ccccc2)n1 75163259 FUKVOCMNMMPPTM-UHFFFAOYSA-N 347.338 1.642 0 40 EDAB COc1cccc(COCCNC(=O)N[C@H]2C(=O)NCC[C@@H]2C)c1 225653647 QAJTVXJRJBLCPL-SWLSCSKDSA-N 335.404 1.036 0 40 EDAB CCOCc1ccc(CNC(=O)CN[C@]23CCC[C@H]2NCC3)cc1 1578124662 KYNDAGJFLWZEBF-MJGOQNOKSA-N 331.460 1.714 0 40 EDAB CC(C)CCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225086066 NGCGOGWNHJJOMI-UHFFFAOYSA-N 330.425 1.750 0 40 EDAB COC(=O)[C@H]1C[C@H](O)CN1Cc1nc2cc(C(F)(F)F)ccc2o1 195578129 FXXIWQXHXGVPFE-GXSJLCMTSA-N 344.289 1.955 0 40 EDAB O=C(c1ccnnc1)N1CCc2ncnc([C@H]3CCOC3)c2CC1 96058672 SMSIPVTZEYZCFQ-ZDUSSCGKSA-N 325.372 1.012 0 40 EDAB CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccoc1)C2 96060854 OCQVAZOUZBNKOD-OAHLLOKOSA-N 333.436 1.569 0 40 EDAB c1cnc2c(c1)CN(C[C@@H]1CCOC1)CCN2CCn1cccn1 96198991 QHQPOGNJVPMDRR-INIZCTEOSA-N 327.432 1.637 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O 96232402 SGRYUDAPCSUFMB-ZDUSSCGKSA-N 349.387 1.417 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCC3(CCCN3CC3CC3)CC2)c1 96159390 TVABMUBWIMJTSS-UHFFFAOYSA-N 338.477 1.449 0 40 EDAB O=C(c1cscn1)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 96042274 XAZGAKNFVLBQMV-KCQAQPDRSA-N 331.397 1.989 0 40 EDAB CCCS(=O)(=O)N1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 96042528 NLXZRDZQWFMUQE-OAGGEKHMSA-N 340.445 1.570 0 40 EDAB O=C1CCCN1Cc1ncn2c1CN(Cc1ccccn1)CCC2 96259402 UVKKFHSJLUHMGW-UHFFFAOYSA-N 325.416 1.806 0 40 EDAB CCn1cc(NC(=O)C(=O)NC[C@H](C)c2cccs2)ccc1=O 96416087 ZFXQHJMRDYQJEI-NSHDSACASA-N 333.413 1.788 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)c2ccc(F)cc2)on1 583650951 CBQANYQPZWDAPK-VIFPVBQESA-N 342.348 1.982 0 40 EDAB Cc1cnc(C(=O)N2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)cn1 96042276 JCAVAAZUBNDQKY-YQQAZPJKSA-N 340.383 1.631 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CN(CC2CCC2)C[C@H]2OCC[C@H]21 97953403 CZLQUUCVROWPGO-RCCFBDPRSA-N 329.444 1.835 0 40 EDAB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)C1CC1 96520208 ZUDXVYGCFJRHSY-RQJHMYQMSA-N 338.594 1.520 0 40 EDAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)NC1CCN(C2CC2)CC1 96402338 OHVKWAVJRQPYNB-INIZCTEOSA-N 333.436 1.810 0 40 EDAB CN(C)c1nc(CNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1 95436308 ONRMTIMEBVEDQR-AGIUHOORSA-N 336.461 1.966 0 40 EDAB Cn1cc(CN2CC[C@H]3CO[C@H](CNc4ncccn4)[C@H]3C2)cn1 96185522 ZBWXDWIHDJIDFL-HRCADAONSA-N 328.420 1.159 0 40 EDAB Fc1cnc(N2CCOC3(CCN(c4ncccn4)CC3)C2)nc1 96049011 OXVKDJLWMRORLS-UHFFFAOYSA-N 330.367 1.282 0 40 EDAB Fc1cnc(N2CC3(C[C@H](Oc4ncccc4F)CCO3)C2)nc1 247547894 VACZNJPRKLEHQT-GFCCVEGCSA-N 334.326 1.967 0 40 EDAB O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCC[C@H]1C(=O)O 247423160 RTGNSFAFIUJZHC-MJBXVCDLSA-N 335.356 1.395 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cscn1 257219237 DGCPXPIBFZAEDO-JTQLQIEISA-N 340.430 1.637 0 40 EDAB Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)CC2)n1 252527734 DFIJZILGJWTXLN-IHRRRGAJSA-N 332.404 1.178 0 40 EDAB Cc1n[nH]c(C)c1-c1cnc([C@@H]2CCCN(S(C)(=O)=O)C2)cn1 257269525 MQIZBTNAPDVJIU-GFCCVEGCSA-N 335.433 1.623 0 40 EDAB CCCn1cc(CN2CCOC[C@H](Cc3cc(O)ncn3)C2)cn1 257310583 UFTJSZKTLPRHQT-CQSZACIVSA-N 331.420 1.480 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)n1 257214232 CLDQHBHYHBTBBP-AWEZNQCLSA-N 341.371 1.372 0 40 EDAB O=S(=O)(c1cc(F)cc(F)c1)N1CCN(C[C@H](O)C2CC2)CC1 85467117 UMGNMFRAMYQTJD-HNNXBMFYSA-N 346.399 1.042 0 40 EDAB COCCC(=O)N1CCC[C@H]1c1nc(C)cc(-c2nccn2C)n1 257311152 UIFCXGUYCFABPA-AWEZNQCLSA-N 329.404 1.886 0 40 EDAB CN(C)c1nccnc1[C@H]1CN(C(=O)CCCn2ccnc2)CCO1 257341331 ZJWZXWJKOUITFN-CQSZACIVSA-N 344.419 1.119 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2cccc(C)n2)CCN(C2CCOCC2)C1 257321580 WCFPCDNOETXOTH-MRXNPFEDSA-N 346.475 1.049 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1c1nccnc1-c1cncc(C(=O)O)c1 257325816 WUNZMDZEGZSIBX-GFCCVEGCSA-N 348.384 1.333 0 40 EDAB Cc1ccc(Cl)cc1CNC(=O)N1CC[C@H](S(C)(=O)=O)C1 252478850 AWCVISZDDQGILZ-ZDUSSCGKSA-N 330.837 1.977 0 40 EDAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(CC(N)=O)[C@H]3C[C@H]21 257229795 FZMXELZXPBPSCD-FIRUKDTASA-N 332.400 1.569 0 40 EDAB C[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1CC(=O)OC(C)(C)C 268308289 WEMWHNZFTPLPPD-GFCCVEGCSA-N 347.415 1.923 0 40 EDAB CN(Cc1ccc(N)nc1)C(=O)c1ccc(N2CCOCC2)cc1 1615056321 IUBJBQDGYYMUHH-UHFFFAOYSA-N 326.400 1.773 0 40 EDAB CNC(=O)c1cccc(OCC(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1 1615554084 JPOIKMUHBPLUJT-SJLPKXTDSA-N 339.395 1.166 0 40 EDAB Cc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H]1C[C@H](C)O)S2(=O)=O 1615550163 QNKIDCZOXCHKQL-DUVNUKRYSA-N 337.441 1.455 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCCSC[C@H]1CN(C)C 90608957 AVIYHQQMAGFEFH-CYBMUJFWSA-N 344.502 1.753 0 40 EDAB COC1(CNC(=O)C(=O)Nc2ccon2)C2CC3CC(C2)CC1C3 96123906 LUYYHDQHHYVXSM-UHFFFAOYSA-N 333.388 1.571 0 40 EDAB Cc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cn2n1 390835220 GUOXTIQNMWNBFO-UHFFFAOYSA-N 346.368 1.610 0 40 EDAB Cc1nc(C)n(CCN[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)n1 585289993 YSQPQBLFHAYEJJ-RCCFBDPRSA-N 330.432 1.846 0 40 EDAB CCn1cc(C(=O)N2CCO[C@](CO)(Cc3ccccc3F)C2)cn1 585278819 VRJKAOSBTAXEJW-GOSISDBHSA-N 347.390 1.488 0 40 EDAB CO[C@@]1(COc2ccccc2)COCCN(C(=O)c2ccncn2)C1 585268963 FTVQYMUFBKGMHX-GOSISDBHSA-N 343.383 1.413 0 40 EDAB CNS(=O)(=O)c1ccc(N2CCC[C@H](c3nc(C)no3)C2)cc1 1548442522 AGAYXHWMAUXHQN-LBPRGKRZSA-N 336.417 1.670 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)Nc2c(C(N)=O)n[nH]c2C)c1 71888295 BRMBTUUKZUARND-JTQLQIEISA-N 332.360 1.369 0 40 EDAB CNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1C 133276808 RZXKQTOKEYAPQE-UHFFFAOYSA-N 335.223 1.172 0 40 EDAB Cc1cc(OCC2CCN(C(=O)c3cccc(O)n3)CC2)ncn1 1565522235 WHKBFODSSQJHMD-UHFFFAOYSA-N 328.372 1.817 0 40 EDAB C[C@@H](CC(=O)NCCn1nc2ccccn2c1=O)c1ccc(F)cc1 57240988 JQPKNJIFNBNEOO-ZDUSSCGKSA-N 342.374 1.945 0 40 EDAB CN(C)C(=O)CN1CCN(Cc2csc(Br)c2)CC1 42186877 LQUZAHSAPPRFDU-UHFFFAOYSA-N 346.294 1.716 0 40 EDAB O=C(Cc1ccccc1F)NCCc1nc(-c2ccncc2)n[nH]1 12338270 NYOIVKIHRRSJPZ-UHFFFAOYSA-N 325.347 1.907 0 40 EDAB O=C(Cc1ccccn1)N1CCc2nc3ccccc3c(=O)n2CC1 19375965 RSXBGWGWDCKCRH-UHFFFAOYSA-N 334.379 1.419 0 40 EDAB C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(Cl)cc1F 150941152 ZDYFTBUVIUJCFI-GXSJLCMTSA-N 337.800 1.951 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)NC[C@H]1CC[C@H](C(=O)O)CC1 101676466 ODNIWSGGMYTLTF-BETUJISGSA-N 347.415 1.129 0 40 EDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)OCCCO2 6975317 ATKGSLLRHVNUPI-UHFFFAOYSA-N 337.401 1.999 0 40 EDAB Cc1cnccc1OCC1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1888866501 VZRNTBBQYYGWMW-UHFFFAOYSA-N 342.399 1.415 0 40 EDAB Cc1noc(C)c1CN1CCN(c2ccc(-n3cccn3)nn2)CC1 1889139858 PFGYQKZEPUCIAD-UHFFFAOYSA-N 339.403 1.589 0 40 EDAB O=C(c1ccsc1)N1CCO[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 1565541572 RRPHJYQQORDPMD-CRAIPNDOSA-N 342.420 1.873 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)C3(F)CCC3)CCO2)C1=O 1565550782 FFYMKUNLKKUHET-KXBFYZLASA-N 346.402 1.732 0 40 EDAB O=C1CCCN2N=C(SCC(=O)N3CCCCC3)SC2=N1 425835 JQMZBMSHTHAYDC-UHFFFAOYSA-N 326.447 1.728 0 40 EDAB Cc1c(C)n2c(SCC(=O)Nc3cccc(F)c3)nnc2[nH]c1=O 4250461 NZLYYDPBBJHZQA-UHFFFAOYSA-N 347.375 1.904 0 40 EDAB CC(=O)N1C[C@H]2[C@H](CC(=O)N(C)Cc3ccccn3)COC[C@H]2C1 2055772581 YOXIZQISRKAJMP-INMHGKMJSA-N 331.416 1.171 0 40 EDAB O=C(NCCCc1ccccc1)N1CC(CN2C(=O)CCC2=O)C1 1775967581 XCCMZFHAKCXZHN-UHFFFAOYSA-N 329.400 1.410 0 40 EDAB O=C(NCCn1ncccc1=O)c1ncc(-c2ccc(F)cc2)o1 206587564 KHYLRSQJGKHXBG-UHFFFAOYSA-N 328.303 1.467 0 40 EDAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccc1 49422315 WSIQYPPYCKKIOV-UHFFFAOYSA-N 337.379 1.786 0 40 EDAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)Nc1cc(O)n(-c2ccccc2)n1 585149532 DGGVKPAKPUQKIR-IUODEOHRSA-N 342.399 1.925 0 40 EDAB O=c1cc2c(nn1CC1CCN(C[C@@H](O)C(F)(F)F)CC1)CCC2 585502362 KFFAFJOSPGCOOO-CQSZACIVSA-N 345.365 1.367 0 40 EDAB Cn1cccc1[C@H](O)CNC(=O)C(=O)NCc1ccccc1Cl 75155154 UGDCUGKHZUUHHB-CQSZACIVSA-N 335.791 1.145 0 40 EDAB COc1ncccc1CNC(=O)C[C@@H](NC(N)=O)c1ccccc1 30305074 QXGKLMNYJUIIOB-CQSZACIVSA-N 328.372 1.506 0 40 EDAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2nnc3ccccn23)c1 30691644 FKMBTENJGBIYRF-UHFFFAOYSA-N 345.384 1.743 0 40 EDAB C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2Cc3ccccc3O2)C[C@@H](C)O1 40489100 UBWFNDAHAXCPNL-CPUCHLNUSA-N 332.444 1.994 0 40 EDAB COc1ccccc1COC[C@H](O)Cn1nnc2ccccc2c1=O 40477419 OLRISBJAFXDVJT-CQSZACIVSA-N 341.367 1.378 0 40 EDAB Nc1nccnc1C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 31784786 UUHUCVYTVHXWTK-UHFFFAOYSA-N 349.797 1.809 0 40 EDAB CCCN(CCN(C)C)C(=O)c1c[nH]n2c1nc(=O)c1ccccc12 100848320 OSEYBUDOJHCDLY-UHFFFAOYSA-N 341.415 1.590 0 40 EDAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(C)no2)C1 51052785 YQLBADVIXIFKJS-GXTWGEPZSA-N 336.436 1.938 0 40 EDAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(=O)[nH]c2)c1 40541794 HXHBGVYFPRPXJG-LBPRGKRZSA-N 327.384 1.833 0 40 EDAB O=C(CN1CCC[C@@H]1Cc1cccc(F)c1)N[C@@H]1CCCCNC1=O 52035359 SCHCNGDJMRBRBB-IAGOWNOFSA-N 347.434 1.618 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)OCc3cc4ccccc4o3)cnc21 21483678 XUDZLHOOIAPEDU-UHFFFAOYSA-N 338.323 1.620 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(F)cc1)n2CCOC 32833271 MQNIKPHTVXZHKA-UHFFFAOYSA-N 346.362 1.749 0 40 EDAB Cc1cc(C)cc(-n2nnn([C@@H]3CC(=O)[C@H]4OC[C@H]3O4)c2=S)c1 103008085 HWOVWQFHZUFIRG-BNOWGMLFSA-N 332.385 1.671 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060013 JVRZLHGXWXMPTR-GFCCVEGCSA-N 337.387 1.281 0 40 EDAB O=C(NCc1nc(-c2cccs2)n[nH]1)C1(O)Cc2ccccc2C1 78966125 UIBPAHLQFRHSLY-UHFFFAOYSA-N 340.408 1.679 0 40 EDAB Cn1cc([C@@H](O)CNC(=O)N[C@H](Cc2ccccc2)C2CC2)cn1 78942365 XMWLONVLNBILIQ-SJORKVTESA-N 328.416 1.774 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)NCc1cccnc1N1CCOCC1 43014995 DRJLACGQULJWAH-LLVKDONJSA-N 347.337 1.502 0 40 EDAB O=C(CCC(=O)N1CCOCC1)Nc1nnc(C(F)(F)F)s1 1277712 DNRDSYMXPSCNBR-UHFFFAOYSA-N 338.311 1.134 0 40 EDAB CCn1c(=O)c2c(nc3n(Cc4ccccc4)c(C)cn23)n(C)c1=O 4250700 PCCPIYCGBCQQFV-UHFFFAOYSA-N 337.383 1.526 0 40 EDAB CCN(CC)C(=O)Cn1nnc(-c2cc(OC)c(OC)c(OC)c2)n1 1422100 CLMOJPATTKKZIK-UHFFFAOYSA-N 349.391 1.234 0 40 EDAB CN(CC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)S(C)(=O)=O 55946101 QEHHNZJGWFYTII-ZFWWWQNUSA-N 344.408 1.053 0 40 EDAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC#N)cc1 7756009 XJNTUWISECVDCY-CQSZACIVSA-N 331.397 1.945 0 40 EDAB CCCOc1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)NC)cc1OC 56161890 BPUSGUHITLLMLI-NWDGAFQWSA-N 337.420 1.979 0 40 EDAB Cn1ncc2c(N3CCC[C@H]3C(=O)NCC(F)(F)F)ncnc21 25570763 GGDPFHLVPLJSHX-VIFPVBQESA-N 328.298 1.011 0 40 EDAB O=C(NC1CC1)c1ccccc1NCCn1nc2ccccn2c1=O 25614385 CUUFYXYPPJZYLD-UHFFFAOYSA-N 337.383 1.500 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H](C)c2c(C)nn(C)c2C)C[C@@H]1N1CCOCC1 107323394 AOEPSLNYJFOITQ-XYPHTWIQSA-N 348.491 1.710 0 40 EDAB Cn1nnc2cc(C(=O)N3CCN([C@H]4C[C@H]5CC[C@H]4C5)CC3)ccc21 108095227 XVLZGLKNQVZCCM-DEYYWGMASA-N 339.443 1.915 0 40 EDAB CC[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br 26976790 GXGTYBOTIZHNRZ-ZETCQYMHSA-N 335.223 1.625 0 40 EDAB COC(=O)c1cccc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)c1 8428922 ZPDHRWAKFLJJEA-UHFFFAOYSA-N 333.344 1.132 0 40 EDAB CCCn1c(=O)n(CN(C)[C@H]2CCS(=O)(=O)C2)c2ccccc21 27169667 WWFWYJSZBHZQHQ-ZDUSSCGKSA-N 337.445 1.289 0 40 EDAB CC(C)CC[C@H](C)NC(=O)CN1C(=O)N[C@]2(CCSC2)C1=O 27491421 KBFPCQCQGAKMOV-NHYWBVRUSA-N 327.450 1.355 0 40 EDAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 44722231 OGWXVJQUNOFJHO-LBPRGKRZSA-N 334.397 1.815 0 40 EDAB CCOc1ncccc1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 27584812 FXZGBURBRXWDSS-VIFPVBQESA-N 331.294 1.830 0 40 EDAB C[C@H](NC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccncc1 44909950 JVWYSTAZQAIYJK-LBPRGKRZSA-N 348.428 1.332 0 40 EDAB Cn1ccnc1[C@@](O)(CCNC(=O)Nc1cccnc1)C(F)(F)F 44968467 BUZXQHSKLUXHSM-ZDUSSCGKSA-N 343.309 1.777 0 40 EDAB CNC(=O)c1cccc(CNC(=O)CNC(=O)CC2CCCCC2)c1 58315622 ODESFHDYMHSKOS-UHFFFAOYSA-N 345.443 1.749 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ccnc(C(N)=O)c2)cc1F 58407357 KMYFCXJWYCECDU-UHFFFAOYSA-N 325.321 1.129 0 40 EDAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCSCC3)cc21 57279949 OEILIQUMEKZZEK-UHFFFAOYSA-N 326.443 1.654 0 40 EDAB CCOC(=O)[C@]1(NC(=O)[C@@H](C)n2cccn2)CCc2ccccc21 72696432 XNMIMXYVSMRAJU-ACJLOTCBSA-N 327.384 1.965 0 40 EDAB O=C(NCc1sccc1Br)N[C@@H]1CCCCNC1=O 58586824 LBAZXZSUVMBEQR-SECBINFHSA-N 346.250 1.979 0 40 EDAB C[C@@H](Nc1cccc(CN2CCCC2=O)c1)C(=O)N1CCNC1=O 28387951 YVCXEYQFYNXMBW-GFCCVEGCSA-N 330.388 1.161 0 40 EDAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc2c(c1)OCO2 11049196 WAOZSURYNJCDOT-UHFFFAOYSA-N 330.344 1.139 0 40 EDAB CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cn(C)nc1C 36615252 VKKSFRLYAZPPEY-UHFFFAOYSA-N 331.829 1.419 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3)n2)C1 29201955 NAKXQNAJWLBWKC-ZDUSSCGKSA-N 348.428 1.026 0 40 EDAB O=C(COC[C@@H]1C[C@@H]2OCCN(c3ncccn3)[C@@H]2C1)N1CCCC1 107257956 SZLHCSQKAVYJOF-XHSDSOJGSA-N 346.431 1.099 0 40 EDAB O=C(Cn1c(CO)nc2ccccc21)NCc1ccc2c(c1)OCO2 12632120 XOWISAOEHKIDCE-UHFFFAOYSA-N 339.351 1.574 0 40 EDAB CCN(CCO)C(=O)c1cc(OC)c(Br)c(OC)c1 37855215 HDUWROQDNOSQMF-UHFFFAOYSA-N 332.194 1.921 0 40 EDAB COc1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)C2CC2)cc1C 48276081 QMCMMIQVGHQWJU-UHFFFAOYSA-N 343.427 1.566 0 40 EDAB Cn1ncc2c(N3CCC[C@@H](c4nnc5ccccn45)C3)ncnc21 12789687 OSVNGZHGCSJEGX-GFCCVEGCSA-N 334.387 1.790 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)Cn3c(=O)oc4ccccc43)ccc21 28049043 OMSXPAFFARIVAP-UHFFFAOYSA-N 339.307 1.678 0 40 EDAB c1cncc(CN2CN(n3cnnc3)c3nc4ccccc4n3C2)c1 20637327 DSBGSIXMBJGTEI-UHFFFAOYSA-N 332.371 1.723 0 40 EDAB CN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)N1CCCCCC1 12866359 DKIKYQYYQRXAMW-UHFFFAOYSA-N 343.424 1.817 0 40 EDAB CN(C)C(=O)c1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 3442960 BUYNROVYFLDFAL-UHFFFAOYSA-N 346.416 1.074 0 40 EDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc2c(c1)OCO2 3505513 GRAWMRJGDKONEQ-UHFFFAOYSA-N 345.355 1.609 0 40 EDAB CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O 4015579 BJNDMOOUEOJJEV-XQQFMLRXSA-N 343.468 1.942 0 40 EDAB Cn1cc([C@@H]2CN(Cc3ccccc3N3CCOCC3)CCO2)cn1 93647933 MCOISYWZVNVAAN-IBGZPJMESA-N 342.443 1.830 0 40 EDAB COc1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2ccccc21 5000060 ROKOAMNEDDNPEN-UHFFFAOYSA-N 339.351 1.348 0 40 EDAB CCO[C@@H]1CCCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)C1 65476248 UXWACOZWDCGCKD-CYBMUJFWSA-N 329.400 1.504 0 40 EDAB O=C(OCCNC1=NS(=O)(=O)c2ccccc21)c1cccs1 4476431 QTNRRYNCUTVURP-UHFFFAOYSA-N 336.394 1.644 0 40 EDAB CC(=O)N1CCCN(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 65565390 KJRNWRXQDGHTMT-CYBMUJFWSA-N 347.415 1.783 0 40 EDAB CC(C)C[C@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 14182994 RHQCNFQYRHQVKI-AWEZNQCLSA-N 332.404 1.835 0 40 EDAB C[C@@H](Sc1nnc(N)s1)C(=O)N1CC(=O)Nc2ccccc21 14158253 WOYYERFOEILRHB-SSDOTTSWSA-N 335.414 1.586 0 40 EDAB O=C(Cc1ccc(F)cc1)NCCNS(=O)(=O)c1ccccc1 65623944 ILAHSLHTPOHQAY-UHFFFAOYSA-N 336.388 1.463 0 40 EDAB O=S(=O)(c1ccccc1Cl)N1CCN(c2ncccn2)CC1 9483676 XAJFSOMYSQPIKP-UHFFFAOYSA-N 338.820 1.641 0 40 EDAB CN(CCc1ccccn1)C(=O)CNC(=O)c1ccc2cc[nH]c2c1 66491336 DXNOTMLVNAHUPG-UHFFFAOYSA-N 336.395 1.994 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1)[S@](=O)Cc1cccc(C(N)=O)c1 96404361 LNVUFWJLRVCQCT-RZFZLAGVSA-N 344.436 1.739 0 40 EDAB CCc1cc(CNS(=O)(=O)c2cnn(-c3ccccc3F)c2)[nH]n1 96428120 JCKRPTZHBMUGNA-UHFFFAOYSA-N 349.391 1.775 0 40 EDAB O=C(NCc1ccc(F)cc1)C1CCN(C(=O)C2(O)CCCC2)CC1 80140839 HNVZLURHVNHGNV-UHFFFAOYSA-N 348.418 1.986 0 40 EDAB Cc1ccccc1N(CC(=O)Nc1nccs1)S(C)(=O)=O 7401119 TXRCAHPJFPQKHS-UHFFFAOYSA-N 325.415 1.856 0 40 EDAB CC[C@@H](Sc1ccccc1)C(=O)N1CCCN(CC(N)=O)CC1 71896191 JNXZDQHXRASIRQ-OAHLLOKOSA-N 335.473 1.577 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@H]1C[C@H]1c1ccccc1OC)C2 71864868 RQCIHLKZABRUDZ-KBPBESRZSA-N 326.400 1.995 0 40 EDAB CN(CC(=O)N1CCCC[C@H]1Cc1ccc(F)cc1)S(C)(=O)=O 71847690 JRKBZOGCGZGRIB-HNNXBMFYSA-N 342.436 1.641 0 40 EDAB CCn1ccnc1CN1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 83843608 KERZXEVSHJVHIT-DOTOQJQBSA-N 333.480 1.278 0 40 EDAB Nc1nccnc1C(=O)OCC(=O)NCCc1ccc(Cl)cc1 7983389 VQWJOCMWSAGSOG-UHFFFAOYSA-N 334.763 1.228 0 40 EDAB COc1cccc(-c2nnn([C@@H]3CCN(CC(F)(F)F)C3=O)n2)c1 71910953 SCGUUKNJNDSLST-LLVKDONJSA-N 341.293 1.684 0 40 EDAB Cc1ccc(C(N)=O)cc1NCC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C 69148447 AJHHPIVFVLTUFO-FZMZJTMJSA-N 346.431 1.910 0 40 EDAB Cn1ccnc1CCNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C 69370240 WWXXZNPASKCYAN-LBPRGKRZSA-N 338.477 1.417 0 40 EDAB CCNc1ccc(Br)cc1NC(=O)[C@H]1CNC(=O)C1 97233654 GJJBWYZPROHVRN-MRVPVSSYSA-N 326.194 1.956 0 40 EDAB CC(C)(C)[C@@H](NS(=O)(=O)c1cccc(Br)c1)C(N)=O 69452317 DDURZVBGGRLYLD-JTQLQIEISA-N 349.250 1.627 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)COC)ccc1OCC 408700449 GEJMUHHBTWKVAZ-NSHDSACASA-N 344.433 1.148 0 40 EDAB O=C(NCCc1cccc(O)c1)NC1CCN(c2ncccn2)CC1 69562459 GSJNPXCAVXXYLF-UHFFFAOYSA-N 341.415 1.693 0 40 EDAB Cc1cccc(N2CCN(C(=O)C3CCS(=O)(=O)CC3)CC2)c1 82314486 IIGUGIMTCBZJES-UHFFFAOYSA-N 336.457 1.468 0 40 EDAB CC(=O)c1c[nH]c(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 69704878 KLXWNEOIXADXAM-HNNXBMFYSA-N 325.368 1.748 0 40 EDAB Cn1nnc2cc(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)ccc21 69744953 JGJJVGNSJBAOAF-UHFFFAOYSA-N 348.359 1.367 0 40 EDAB Cn1ccnc1COC(=O)c1ccc(N2CCCS2(=O)=O)cc1 69967985 HKQWFNDVFXNYEK-UHFFFAOYSA-N 335.385 1.317 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)N[C@H]1CCC[C@H](C(F)(F)F)C1 69948525 RBUAFQARLHTYDZ-SDDRHHMPSA-N 345.369 1.420 0 40 EDAB CCCc1cc(NCCN2CCC[C@@H](C(N)=O)C2)n2nccc2n1 72423965 QOTCDOCNVCNWOD-CYBMUJFWSA-N 330.436 1.291 0 40 EDAB Cc1cc(N2CCC[C@@H](NC(=O)c3cc(F)cc(F)c3)C2=O)n(C)n1 97009937 BJVPMHBKZHPVCN-CQSZACIVSA-N 348.353 1.932 0 40 EDAB CC(C)n1nnnc1S[C@@H](C)C(=O)NC(=O)NCc1ccccc1 8735552 FJOZAPHMIDUZAZ-NSHDSACASA-N 348.432 1.761 0 40 EDAB COC(=O)C1(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 97379818 KAYCDEIMVYSSEE-LLVKDONJSA-N 338.354 1.861 0 40 EDAB Cc1cc(=O)c(OCC(=O)N2CCO[C@H](c3ccccc3)C2)cn1C 95475210 ZDNJDFMRFOXCOV-KRWDZBQOSA-N 342.395 1.673 0 40 EDAB Cc1cc(-c2nnn(CCCNC(=O)C(F)(F)F)n2)ccc1F 95417898 VRKPVOKTYCYHQF-UHFFFAOYSA-N 331.273 1.856 0 40 EDAB C[C@H]1OCC[C@@H]1NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 95449685 RGVQJZFEVPDUFX-RISCZKNCSA-N 333.363 1.598 0 40 EDAB COc1cc(CN2CCC[C@H](C(N)=O)C2)ccc1OC(=O)C1CC1 95453771 HJADDNYZDCOXJZ-AWEZNQCLSA-N 332.400 1.708 0 40 EDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1cn3ccccc3n1)CC2 95400591 QHHWKUBBZSYIHR-HOTGVXAUSA-N 343.427 1.655 0 40 EDAB CN(C[C@@H]1CCCC[C@@H]1O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 95996216 JBYDWWQGIXLJBP-XQQFMLRXSA-N 337.386 1.816 0 40 EDAB CC(C)(C)NC(=O)NCCS(=O)(=O)Cc1c(F)cccc1F 95939843 VHKLHVMLUPFPNR-UHFFFAOYSA-N 334.388 1.977 0 40 EDAB CN(CC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ncnc2[nH]cnc12 95956209 KLCLUIVWIZIXDJ-CHWSQXEVSA-N 340.362 1.601 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)NC[C@@H](O)c1ccsc1 95939422 YAGHFHLVFDJZTI-CYBMUJFWSA-N 343.474 1.618 0 40 EDAB Cc1nc(CN2CCN([C@H](C)C(=O)N3CCCCCC3)CC2)no1 95952926 CYGIVFDZUNBAJS-CQSZACIVSA-N 335.452 1.287 0 40 EDAB CN(C(=O)C[C@H]1CN(Cc2ccccc2)CCO1)c1cnn(C)c1 74958216 HDLAFKAWLINOIJ-KRWDZBQOSA-N 328.416 1.674 0 40 EDAB O=C(c1cccc(OCC(F)F)n1)N1CC[C@](O)(C(F)(F)F)C1 89832045 HHAYINVLJAMPOI-GFCCVEGCSA-N 340.248 1.865 0 40 EDAB COc1cc(Cl)ccc1C(=O)N1CCN(Cc2n[nH]c(C)n2)CC1 76017396 KJOUYVGZRXMVST-UHFFFAOYSA-N 349.822 1.733 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1C 408605477 KIALTRYHUYHXDI-GFCCVEGCSA-N 342.461 1.975 0 40 EDAB CN(C)c1ccc(-c2cncc(C(=O)NCCn3cnnc3)c2)cc1 1556669715 QNGMQOONDWUTCZ-UHFFFAOYSA-N 336.399 1.836 0 40 EDAB COC(=O)c1ccccc1OC[C@@H](O)Cn1c[n+](C)c2ccccc21 26770597 RIPRMIMUWXSITK-AWEZNQCLSA-N 341.387 1.692 0 40 EDAB CC(=O)N1CCC(NC(=O)c2cc(Br)ccc2O)CC1 44869581 MDZJPVWQZDHVFK-UHFFFAOYSA-N 341.205 1.895 0 40 EDAB CC(C)c1nnc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)s1 530095271 MQRXOLJTRCGCMP-UHFFFAOYSA-N 342.446 1.122 0 40 EDAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccncc1)CC(=O)N2 31808209 QNLAUKIOSDYXPN-NSHDSACASA-N 346.354 1.716 0 40 EDAB CC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCCO 217460686 BQFWIXSGCXFMSK-JTQLQIEISA-N 330.406 1.256 0 40 EDAB Cc1cc(NC(=O)[C@H](C)SCCN2C(=O)NC(C)(C)C2=O)on1 78555704 DEXBYSFBOACNIN-VIFPVBQESA-N 340.405 1.374 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)(C)C 217529670 LPLSMLOIOXJSEP-JTQLQIEISA-N 344.433 1.908 0 40 EDAB CN(C)c1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cn1 78075758 AQXBPAMLFGGIGF-KRWDZBQOSA-N 340.427 1.987 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCCN([C@H]3CCOC3)CC2)cc1 1565523741 ZTJZUGNPDWBCAF-INIZCTEOSA-N 332.400 1.410 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)Nc2cc(C)cc(C)c2)s1 36182774 PTCJVRXSKLURKS-UHFFFAOYSA-N 326.403 1.914 0 40 EDAB Cc1ncc2c(n1)[C@H]1CN(C(=O)c3cc4ncccn4n3)C[C@H]1CC2 72342270 KFCPTRPXRNMBMM-KGLIPLIRSA-N 334.383 1.630 0 40 EDAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cn(C)cn2)c1 78556808 PPTJNINPPUJJOS-UHFFFAOYSA-N 329.765 1.661 0 40 EDAB O=C(NCCNc1cc(-n2cccn2)ncn1)c1c[nH]c2ccccc12 36705484 HWYGZQVSBFDGQW-UHFFFAOYSA-N 347.382 1.986 0 40 EDAB O=C(NCc1cccc(-n2ccnc2)c1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 566051686 RLMSQVSWVRAKIV-XMTFNYHQSA-N 336.395 1.967 0 40 EDAB COCCS(=O)(=O)Nc1ccc2ccn(CCN(C)C)c2c1 77966420 ITYBVJXZFATKJN-UHFFFAOYSA-N 325.434 1.591 0 40 EDAB CCS(=O)(=O)N1CC(c2nc(Cc3ccccc3OC)no2)C1 75156535 IMSVFLISAJOJOH-UHFFFAOYSA-N 337.401 1.418 0 40 EDAB CC(C)[C@H](CNC(=O)NC[C@H]1CN(C)CCN1C)c1ccccc1 78924903 ZEVXZVOBTBILDE-ROUUACIJSA-N 332.492 1.971 0 40 EDAB C[C@@H](NC(=O)CN1CCC(N2CCNC2=O)CC1)c1cccs1 72270851 MSBBTCPSARBQQF-GFCCVEGCSA-N 336.461 1.415 0 40 EDAB C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ncc2c(F)cccn12 529366912 QFWOHEYBNGOFOR-STQMWFEESA-N 332.379 1.409 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)[C@H](C)n3cccn3)n2)cn1 225816843 HQCCZRBBLIOMGW-NSHDSACASA-N 342.359 1.604 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCC[C@H]2c2ccc(O)nn2)n1 530076050 NDPTUBZHGRDIEW-LBPRGKRZSA-N 331.376 1.985 0 40 EDAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)/C=C/c2ccccc2)C1 225677234 XKXJVOKANSKCQP-BQYQJAHWSA-N 331.397 1.118 0 40 EDAB COC(=O)C1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1 222643265 UIRLZCHFKYLCPZ-UHFFFAOYSA-N 333.384 1.802 0 40 EDAB CC(=O)N1CCN(C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1 40474278 WVZCMQIEUBKBPA-SFHVURJKSA-N 341.411 1.641 0 40 EDAB CO[C@H](C)CS(=O)(=O)N1CCN([C@H](C)c2ccsc2)CC1 195454922 DGZMTRAUUPEETP-CHWSQXEVSA-N 332.491 1.791 0 40 EDAB COC[C@H]1C(=O)NCC12CCN(C(=O)c1cccc(Cl)c1)CC2 96208441 COHJSHUPUJJPQU-AWEZNQCLSA-N 336.819 1.955 0 40 EDAB CNC(=O)c1cccc(C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)c1 96445450 XZCPZESHVZWFRO-UPCLLVRISA-N 344.436 1.896 0 40 EDAB O=C(Cc1ccccn1)N1CCn2cc(CN3CCCCC3)nc2C1 96197267 XTSWNLGKZSHSHK-UHFFFAOYSA-N 339.443 1.849 0 40 EDAB COC(=O)c1n[nH]c2ccc(NS(=O)(=O)C[C@@H](C)OC)cc12 330031753 CRRZUCAVCQAQPF-MRVPVSSYSA-N 327.362 1.126 0 40 EDAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1cccnc1)C2 96039771 ACFILNLZVNGTLO-PKOBYXMFSA-N 347.459 1.558 0 40 EDAB c1cc(CN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)ccn1 96052368 ZIUIARWBNQZANO-RTBURBONSA-N 347.459 1.164 0 40 EDAB CN(C)C(=O)CN1CCC[C@]2(CCN(C(=O)c3cccnc3)C2)C1 96215335 MDRZXRRKTGZFIZ-SFHVURJKSA-N 330.432 1.098 0 40 EDAB Cc1ccoc1C(=O)NCCCNC(=O)N[C@H](C)c1cn(C)nc1C 96415426 BVXZABJJVFPCLR-GFCCVEGCSA-N 347.419 1.810 0 40 EDAB COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1C(=O)NCCC[S@@](C)=O 583619917 XOBODBLLPJLMGN-KFOHMRLHSA-N 337.441 1.620 0 40 EDAB CCC(CO)(CO)NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 97376854 NCRIOCZXVDEFTC-CHWSQXEVSA-N 342.233 1.802 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)n1 96456344 VCBLIGWQWPHPAB-DOMZBBRYSA-N 349.479 1.835 0 40 EDAB COCCNC(=O)C[C@H]1CN(Cc2csc(C)n2)Cc2ccnn21 247980812 WZQYTULUBKKHIY-HNNXBMFYSA-N 349.460 1.358 0 40 EDAB O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)[C@H]1COCCO1 585085813 TXTVQQMSLNHMRP-SNVBAGLBSA-N 341.289 2.449 0 40 EDAB COc1cc(CCC(=O)N(C)[C@@H]2CCCC[C@@H](OC)[C@@H]2O)on1 257238219 HKAPWWICKLNFED-XJKCOSOUSA-N 326.393 1.393 0 40 EDAB C[C@H](Sc1ccccc1Cl)C(=O)N[C@H](CO)c1nncn1C 585128109 RXEBBCGTOIXAIC-GXSJLCMTSA-N 340.836 1.799 0 40 EDAB C[C@H](N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(=O)N(C)C 585136866 WJYOCILNKWSUGI-XUXIUFHCSA-N 325.453 1.841 0 40 EDAB O=C(NCCNc1ncccn1)[C@@H]1CCCN(Cc2cccnc2)C1 585146029 NTQULZJQUWTOCG-MRXNPFEDSA-N 340.431 1.312 0 40 EDAB CC(C)NC1(CO)CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 585114890 DJEJZZQHIRYJMY-UHFFFAOYSA-N 348.415 1.478 0 40 EDAB CN(C)[S@@](C)(=O)=NC(=O)CN1CCCC[C@H]1C(=O)OC(C)(C)C 585117218 VERKFJFKXLMFAO-MYODQAERSA-N 347.481 1.284 0 40 EDAB C=CC(=O)NCc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 585141732 XKJHHYCYFVKDKC-UHFFFAOYSA-N 335.408 1.652 0 40 EDAB CNCC(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccc(F)cc1)CO2 257202244 ALANBCWYZGXBFO-MRXNPFEDSA-N 335.423 1.631 0 40 EDAB Cc1noc(C)c1C(=O)N1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 257229508 FYJDRKKBFMJSOI-JTQLQIEISA-N 338.389 1.048 0 40 EDAB O=C(Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1)[C@@H]1CCOC1 262719127 HLKYZUFVXFGHDM-UKRRQHHQSA-N 346.383 1.741 0 40 EDAB CCOC(=O)c1ncc(Cn2cnc3snc(C)c3c2=O)s1 601082735 OMCPFVLNWFHEJO-UHFFFAOYSA-N 336.398 1.843 0 40 EDAB CCc1nc(CN(C)C(=O)[C@@H]2CNC[C@H]2c2cn(C)cn2)cs1 1614996054 XQPCNIHEULROEZ-CHWSQXEVSA-N 333.461 1.401 0 40 EDAB CN1CCN(c2nccc(CNC(=O)c3cccc(F)c3O)n2)CC1 1615001526 TYGRQZULLKKFPM-UHFFFAOYSA-N 345.378 1.003 0 40 EDAB CCn1cc(Br)c(C(=O)N[C@@H]2CCC[C@@H]2C(N)=O)n1 1615613471 AGVPASQNNYOHOZ-IONNQARKSA-N 329.198 1.049 0 40 EDAB OCCOCCn1nc(I)c2ccccc21 1615616316 XYEQNCWVTGQCEL-UHFFFAOYSA-N 332.141 1.650 0 40 EDAB O=C(CO)NCCc1nc(-c2ccc(Br)cc2)no1 1616037701 OWLFZWOBFCWYCV-UHFFFAOYSA-N 326.150 1.150 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc2onc(Cl)c2c1 585139903 NHJSLSDDOQQKPM-UHFFFAOYSA-N 345.808 1.628 0 40 EDAB CCOCc1nnc2n1CCN(Cc1cccnc1OC)[C@@H](C)C2 585098502 UGVVAUOKUVLWHX-ZDUSSCGKSA-N 331.420 1.665 0 40 EDAB CO[C@]1(COc2ccccc2)COCCN(C(=O)c2ccncn2)C1 585268964 FTVQYMUFBKGMHX-SFHVURJKSA-N 343.383 1.413 0 40 EDAB O=C(CC1CCC1)N1CCOC[C@@](O)(COc2cccc(F)c2)C1 585276809 QQBRQJVMESRWMF-GOSISDBHSA-N 337.391 1.985 0 40 EDAB CCN1CC[C@]2(CN(C(=O)c3cc(C)no3)CC(F)(F)C2)C1=O 585093129 DKZQKFSUCDDZKW-AWEZNQCLSA-N 327.331 1.703 0 40 EDAB O=C1CCCCCN1CC(=O)N1CC[C@](O)(COc2ccccc2)C1 585275633 HOFDPGANEWLVNO-LJQANCHMSA-N 346.427 1.431 0 40 EDAB COc1cccc(N2CCN(C(=O)CCn3cc(C)cn3)CC2)c1 65459070 OADJVOSDPDGMSM-UHFFFAOYSA-N 328.416 1.939 0 40 EDAB CN(CCC(=O)NC(N)=O)CCc1ccc(Br)cc1 69738678 CZPKYOVRXJPBRW-UHFFFAOYSA-N 328.210 1.508 0 40 EDAB Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)ccc1-n1cncn1 72297130 KCNOZHGKKACBGZ-INIZCTEOSA-N 349.394 1.402 0 40 EDAB C[C@@H](NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)C(=O)N(C)C 56875971 WEXOXGDZFPSRQT-RISCZKNCSA-N 339.823 1.900 0 40 EDAB C[C@H](CC(=O)NC[C@@H](c1cnn(C)c1)N(C)C)NC(=O)C1CCCC1 75140639 QCSVQLOHCUBNCU-CJNGLKHVSA-N 349.479 1.224 0 40 EDAB Cc1c(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cnn1C 95446072 RYGLVAJKNMCMPW-UHFFFAOYSA-N 338.415 1.563 0 40 EDAB C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H]3CCC(=O)N3)cc2)C[C@@H](C)O1 107490455 CXIHZAZYKIBPGV-CKEIUWERSA-N 345.443 1.191 0 40 EDAB O=C(CCc1cccc(Cl)c1)N1CCC(N2C(=O)CNC2=O)CC1 585332422 WOATXCOMYYPBLG-UHFFFAOYSA-N 349.818 1.815 0 40 EDAB O=C(CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2)NC1CC1 105698173 BVOUDJBKZAELBB-LJQANCHMSA-N 342.395 1.682 0 40 EDAB CC(=O)N1CCC(N2CC[C@@](O)(COc3cccc(F)c3)C2)CC1 1615191078 KJQYWTAASSUWIK-SFHVURJKSA-N 336.407 1.652 0 40 EDAB COC(=O)CN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)N(C)C1=S 8091414 BTIXGALVKUYSHP-POHAHGRESA-N 340.788 1.618 0 40 EDAB Nc1nonc1C(=O)NCCNCc1ccc(-c2ccccc2)cc1 5324063 ZKCJOWQWULGGNE-UHFFFAOYSA-N 337.383 1.838 0 40 EDAB CN(C)c1cccc(N2C(=S)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 5488953 BZUKHUMTXMZIDM-VXGBXAGGSA-N 328.484 1.756 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1nc2n(C)c3ccccc3n2c1=O 12117770 WVSOOEGZOJATNO-BETUJISGSA-N 341.415 1.777 0 40 EDAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(S(C)(=O)=O)C2)n1 12118575 YFCNVYWMYCTELE-AWEZNQCLSA-N 332.429 1.986 0 40 EDAB COCC(=O)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1 12222503 CSWFUYWLMVVTNB-UHFFFAOYSA-N 344.415 1.180 0 40 EDAB CCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(SC)cc3)c2n1 12276686 OUYLDNCGICKGPX-UHFFFAOYSA-N 329.385 1.492 0 40 EDAB O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@]23C=C[C@H]1O3 12892173 FLCFGVFZLXTFLR-AXVVYFOYSA-N 338.407 1.290 0 40 EDAB O=C(O)c1ccc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1 13366260 GCMGGIOYKZYJRJ-SFGFDRCGSA-N 341.344 1.220 0 40 EDAB CC(C)CNC(=O)NC(=O)CN(C)CCOc1ccc(F)cc1 15101498 GFFWBWSVQWONIP-UHFFFAOYSA-N 325.384 1.618 0 40 EDAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCCn1ccnc1C 19577623 MHKRKRREZAXNEJ-UHFFFAOYSA-N 347.391 1.769 0 40 EDAB CCC[C@@]1(COC)CCCN1S(=O)(=O)c1ccc(C(=O)O)nc1 574315971 AUDIPYRRDLSUIB-HNNXBMFYSA-N 342.417 1.750 0 40 EDAB CN(C)C(=O)N1CCC(CNC(=O)c2noc3c2CCCC3)CC1 390831042 PGJPARWBWTVWTM-UHFFFAOYSA-N 334.420 1.677 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2F)cc1 3388592 XPSIKIHXEXIWIJ-UHFFFAOYSA-N 326.324 1.542 0 40 EDAB Cc1ccc2nc(C(=O)N3CCOC[C@@H]3c3n[nH]cc3C)cn2c1 1848353875 GCWSKDFNELCVPS-CQSZACIVSA-N 325.372 1.888 0 40 EDAB Nc1ccccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 19366659 KWFOYOLMGGNILT-GOSISDBHSA-N 341.455 1.826 0 40 EDAB O=C([C@@H]1CN(c2ncnc3ccc(F)cc23)CCO1)N1CCCC1 1889130547 FLJCUCDXJKQXBJ-HNNXBMFYSA-N 330.363 1.597 0 40 EDAB CCNC(=O)NC(=O)CN1CCCN(Cc2ccccc2)C[C@@H]1C 77371311 PWWVYOAIDQDQEJ-HNNXBMFYSA-N 332.448 1.429 0 40 EDAB CN(C)Cc1cnc2n1CCN(C(=O)Cc1ccc(F)cn1)CC2 1565542846 XVJDXDUZFAVHPP-UHFFFAOYSA-N 331.395 1.106 0 40 EDAB O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccc2c(c1)OCO2 4941483 ANWJUGHLMFLHAF-LBPRGKRZSA-N 348.355 1.156 0 40 EDAB O=C(CN1C[C@@H]2COC[C@]2(COc2ccccn2)C1)N1CCCC1 2055714489 DEVIGBUEYSKUIK-QAPCUYQASA-N 331.416 1.031 0 40 EDAB COC(=O)c1sc2ccccc2c1NC(=O)CN1C(=O)CCC1=O 4176827 XOCPSVZQHBANEH-UHFFFAOYSA-N 346.364 1.775 0 40 EDAB COC(=O)C[C@@H](c1cccnc1)c1c(O)nc2ccc(C)cn2c1=O 96115778 LPJPFXFDJONXPB-ZDUSSCGKSA-N 339.351 1.799 0 40 EDAB biogenic CCc1sc(C(=O)NCC(=O)NCCCn2cccn2)cc1C 30165343 LWLDTBPYAWRAFN-UHFFFAOYSA-N 334.445 1.752 0 40 EDAB Nc1nccnc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 30173623 XAPCNORSUQXNCL-LBPRGKRZSA-N 327.344 1.429 0 40 EDAB COc1ccc(N[C@@H](C)C(=O)NC(N)=O)cc1OC[C@@H]1CCCO1 30454593 GYKWWNSHTNIBBJ-JQWIXIFHSA-N 337.376 1.248 0 40 EDAB CN(CC(=O)Nc1ccccc1Br)[C@H]1CCOC1=O 31207728 PGCMOIRXQZYGGD-NSHDSACASA-N 327.178 1.635 0 40 EDAB Cc1ccc([C@@H](CNC(=O)c2ccn(C)c(=O)c2)N2CCOCC2)o1 40496713 LJUVPCSISKREJI-OAHLLOKOSA-N 345.399 1.090 0 40 EDAB CN(CCC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)NC(C)(C)C 40475854 SFTMQJBVNZJBIS-UHFFFAOYSA-N 349.431 1.633 0 40 EDAB C[C@H]1CN(S(=O)(=O)N(C)Cc2ccc(F)cc2F)C[C@@H](C)O1 40493327 OUJMZXVRAGPOKV-PHIMTYICSA-N 334.388 1.751 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)N[C@H]1CCCN(c2ncccn2)C1 40553786 WPHDBKCARCVNFB-MNOVXSKESA-N 332.326 1.529 0 40 EDAB C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 40527690 MBRPCQZFVCRZAN-LLVKDONJSA-N 334.401 1.135 0 40 EDAB O=C(NCCCCN1CCOCC1)c1cc(Cl)c2c(c1)OCO2 40541029 UNEDUIDRRZCURT-UHFFFAOYSA-N 340.807 1.911 0 40 EDAB CC1CCC(N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1 385808 HXKSIAZEWSOTLE-UHFFFAOYSA-N 331.420 1.223 0 40 EDAB COc1cccc(NC(=O)C2=NN(c3ccc(C)cc3)C(=O)CN2)c1 32643347 BPVSSLMYSZETAD-UHFFFAOYSA-N 338.367 1.892 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCN(S(C)(=O)=O)CC1 32814478 OZRCYLWRKHNZHU-CYBMUJFWSA-N 349.456 1.625 0 40 EDAB COc1ccc(-n2c(=O)[nH]c3cc(C(=O)O)ccc3c2=O)c(OC)c1 422920 XUGSFUHUICKSNT-UHFFFAOYSA-N 342.307 1.394 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)NC[C@@H]1Cc2ccccc2O1 33112675 RIPUFYATVHELND-AWEZNQCLSA-N 338.363 1.532 0 40 EDAB CCc1ccccc1N1C[C@@H](C(=O)NCCCn2cncn2)CC1=O 41862463 SWKCFGFHBRQOQO-HNNXBMFYSA-N 341.415 1.400 0 40 EDAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc(N(C)C)nc2)C1=O 22421253 KOIVETPJLHFIJK-GFCCVEGCSA-N 340.383 1.900 0 40 EDAB CN(CC(=O)OCC(=O)NCCC1=CCCCC1)c1ncccn1 23173822 LHLQUWLYONVZCM-UHFFFAOYSA-N 332.404 1.463 0 40 EDAB O=C(c1ccn(-c2ccccc2)n1)N1CCC(N2CCNC2=O)CC1 54317895 OXMSVYGLRDPMBH-UHFFFAOYSA-N 339.399 1.502 0 40 EDAB O=C(Cc1ccc(F)cc1)NCCCN1C(=O)NC2(CCCC2)C1=O 54749543 JAALXRICMRRNMA-UHFFFAOYSA-N 347.390 1.739 0 40 EDAB O=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1ccccc1 61720798 AZSPVGXCOOEWGG-UHFFFAOYSA-N 339.399 1.552 0 40 EDAB CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1ccc(F)cc1 24258816 WPRZTYPTEXGJMT-GFCCVEGCSA-N 334.438 1.825 0 40 EDAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H](O)c2ccco2)[nH]n1 78988168 MKAGHTAFXLKRQW-CYBMUJFWSA-N 329.360 1.483 0 40 EDAB Cc1cc(C)cc(C(=O)NCC(=O)NC2CCC3(CC2)OCCO3)c1 47672540 KQTUJJPTKKSQRI-UHFFFAOYSA-N 346.427 1.835 0 40 EDAB CCn1cnnc1CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 47777774 VHKVTIZUBCASBS-AWEZNQCLSA-N 346.435 1.917 0 40 EDAB C[C@H]1CN(C[C@@H](O)CN2CCC(Cn3cccn3)CC2)C[C@@H](C)O1 106585663 IYUUGGYVNDVADA-JZXOWHBKSA-N 336.480 1.065 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3ccccc3F)N[C@@](CC)(C(=O)OC)[C@@H]2C1=O 4884782 XVWSLVWCEQQYGW-WZTLGTBRSA-N 348.374 1.413 0 40 EDAB CCCc1nnc(S)n1CC(=O)NCc1ccc(NC(C)=O)cc1 25179337 BJYKDFWQFSYPAH-UHFFFAOYSA-N 347.444 1.794 0 40 EDAB O=C1CC[C@H](C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)N1 106850272 CORMXUDPMGYNJU-XHDPSFHLSA-N 337.370 1.324 0 40 EDAB C[C@H](OC(=O)CN1CCSC1=O)C(=O)Nc1ccc(Cl)cn1 7666702 WGURKXKZDWHVFD-QMMMGPOBSA-N 343.792 1.774 0 40 EDAB CCN1CC[C@H](N(C)S(=O)(=O)N2CCC[C@@H]2c2ccc(C)o2)C1 84780052 JAUPEYFZHHXJRT-LSDHHAIUSA-N 341.477 1.996 0 40 EDAB CNC(=O)c1ccc(N2CCN(c3cccc(C)n3)C[C@@H]2C)nn1 107148038 MMVHIAFISMDBFY-ZDUSSCGKSA-N 326.404 1.255 0 40 EDAB O=C(Cc1csc(-c2ncccn2)n1)N1CCO[C@@H]2CCC[C@H]21 56198236 LVZKKHVREAZVDP-CHWSQXEVSA-N 330.413 1.923 0 40 EDAB Cc1ccc2nc(COC(=O)c3ccc(OCC(N)=O)cc3)cn2c1 8542031 VPFLWLUKPAKQOP-UHFFFAOYSA-N 339.351 1.864 0 40 EDAB C[C@H](Cc1ccco1)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 26882023 AIBNCAFIBOLFPI-SNVBAGLBSA-N 336.369 1.520 0 40 EDAB Cc1cccc(OCCNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 26904671 AZKJLJUQENSETR-QGZVFWFLSA-N 341.411 1.770 0 40 EDAB Cc1noc(N)c1C(=O)O[C@H](C)C(=O)NC(=O)Nc1ccccc1 10213569 LLGHQJYLDBDMFO-SECBINFHSA-N 332.316 1.459 0 40 EDAB C[C@]1(c2ccsc2)NC(=O)N(CC(=O)NCc2ccccc2)C1=O 58289354 PCEDSYIDARQSEC-QGZVFWFLSA-N 343.408 1.832 0 40 EDAB O=c1oc(-c2ccc(F)cc2)nn1C[C@@H](O)COCc1ccco1 44907264 HNGVZNJMFHPBDG-CYBMUJFWSA-N 334.303 1.813 0 40 EDAB C[C@H]1CN(C(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)C[C@@H](C)O1 44966034 IZLOLWHGOOTBOZ-FRRDWIJNSA-N 338.839 1.982 0 40 EDAB Cc1csc(CNC(=O)NC[C@@H]2CN(CC(C)C)CCO2)n1 44951655 MSXTUAXSAWXRRX-CYBMUJFWSA-N 326.466 1.608 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cn1 102768568 ARCFSNWHZXGLEE-INMHGKMJSA-N 344.459 1.825 0 40 EDAB CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)[C@H]1CCCO1 58355854 MTBIFBUXYXTTJG-OAHLLOKOSA-N 341.429 1.496 0 40 EDAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCN(Cc2cscn2)CC1 58305374 RCWAJGPRRBZBJH-CQSZACIVSA-N 349.460 1.974 0 40 EDAB COC(=O)Cc1csc(NC(=O)[C@@H](CC(C)C)NC(=O)OC)n1 58378922 DFKHJZROTMOXLF-SNVBAGLBSA-N 343.405 1.568 0 40 EDAB Cc1cc(=O)c(C(=O)NCC[C@@H]2CCCO2)nn1-c1ccccc1F 58430889 QNCZXJROQMIQJX-ZDUSSCGKSA-N 345.374 1.979 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2cnc3ccsc3c2=O)C1 10768261 OHQBZIVTFAGRGS-NSHDSACASA-N 349.412 1.260 0 40 EDAB Cc1csc([C@]2(O)C(=O)N(Cc3ccccc3)C[C@H]2C(=O)O)n1 36379768 URQDNBNFAAJOQU-LRDDRELGSA-N 332.381 1.382 0 40 EDAB in-vitro O=C(N1CCN(c2ccccc2)CC1)C1(n2cnnn2)CCCCC1 36366423 VGEICYXIFRFKPJ-UHFFFAOYSA-N 340.431 1.681 0 40 EDAB C[C@H]1CN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 28842634 ZOWSRSGLEUFAKS-HOTGVXAUSA-N 347.459 1.961 0 40 EDAB COC[C@@H](C)NC(=O)CSc1nc(C)c(C)n1C[C@@H]1CCCO1 36633661 MCHDLEZVBGZFTI-RISCZKNCSA-N 341.477 1.922 0 40 EDAB Cc1noc(CCCNC(=O)N[C@H]2CCN(c3ccccc3)C2)n1 72270215 JPOARZCKDIIRNU-AWEZNQCLSA-N 329.404 1.889 0 40 EDAB NC(=O)[C@H](NC(=O)COCCc1ccccc1)c1ccccc1F 72287845 RECPBEALZNEQRE-QGZVFWFLSA-N 330.359 1.728 0 40 EDAB Cn1cc(CCNC(=O)NCc2ccc(N3CCCCC3)nc2)cn1 45877804 HVQLMSOJFHBGJX-UHFFFAOYSA-N 342.447 1.847 0 40 EDAB NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 29660633 IODARPJRBHTIAY-UHFFFAOYSA-N 341.386 1.883 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc(N4CCCC4)nn3)C2)no1 72232617 FTKOYZLEFXWTGY-CYBMUJFWSA-N 342.403 1.788 0 40 EDAB O=C([C@H]1COCCO1)N1CCN(c2ncc(Cl)cc2Cl)CC1 46646500 OYPFLTGKQPJPOW-GFCCVEGCSA-N 346.214 1.452 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)Cc3cccs3)CC2)C1 108528404 ZWCDCHOYIYKDQI-UHFFFAOYSA-N 342.486 1.611 0 40 EDAB O=C(O)Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1 3263572 DIZUMLXYAVSNHD-UHFFFAOYSA-N 335.337 1.813 0 40 EDAB CS(=O)(=O)N1[C@H]2CCCC[C@H]1[C@H]1CC[C@H]2C=CN1S(C)(=O)=O 101043333 AXFFYKPQFZZEEM-FQUUOJAGSA-N 348.490 1.127 0 40 EDAB CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2F)CC1 57355094 HIUVSGURNXZSOF-WMLDXEAASA-N 333.407 1.509 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCc1ccccn1 48312555 QBGIMIZOXAMXEU-UHFFFAOYSA-N 335.367 1.394 0 40 EDAB CC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 13010310 BZOIJKPGYRIHOH-ZDUSSCGKSA-N 340.445 1.574 0 40 EDAB Cc1noc([C@H]2COCCN2C(=O)c2ccn(-c3ccccc3)n2)n1 97108826 UWNXKXZINYKFOK-OAHLLOKOSA-N 339.355 1.777 0 40 EDAB CN1CC[C@@H](CNC(=O)NCCCn2ccnn2)c2ccccc21 96009827 SMKJCVSXBKEDNC-AWEZNQCLSA-N 328.420 1.591 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1 13317349 CYSXVBSBULECPQ-UHFFFAOYSA-N 348.380 1.223 0 40 EDAB CC(C)c1nc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)n[nH]1 72325527 OYDMZZQWEKKVGD-LLVKDONJSA-N 342.359 1.007 0 40 EDAB biogenic COC(=O)[C@H](CC(C)C)NC(=O)CCc1nc2ccccc2[nH]c1=O 72325634 WWLJSWRBNMDUQQ-HNNXBMFYSA-N 345.399 1.560 0 40 EDAB biogenic O=C(COC(=O)c1ccccc1NCCO)NCc1ccc(F)cc1 5277917 VEMCHYOOQPHQSC-UHFFFAOYSA-N 346.358 1.703 0 40 EDAB O=C(NCCNC(=O)C1CC1)c1sc(N2CCCC2)nc1Cl 65402244 QTAGVUXIXBRXGG-UHFFFAOYSA-N 342.852 1.653 0 40 EDAB CNC(=O)CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 14181744 BOYMVONRPOOMOT-UHFFFAOYSA-N 344.742 1.725 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](Cc1ccccc1)c1ccccc1 14199367 HCDMJTZHYDLOEH-QGZVFWFLSA-N 349.390 1.637 0 40 EDAB COc1ccc(OCc2noc(CSc3nnnn3C)n2)cc1 14188316 LVOIYSITMFAPKJ-UHFFFAOYSA-N 334.361 1.473 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1nnc(C(F)(F)F)[nH]1 65626491 ITUCNALZAZZUKT-MRVPVSSYSA-N 345.281 1.810 0 40 EDAB CN(C)[C@H](CNc1ncnc2c1cnn2CCO)c1ccc(F)cc1 97200285 ZVIUHSFRNKAKQZ-OAHLLOKOSA-N 344.394 1.673 0 40 EDAB NC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1N 19797132 RCWBRGYSBHCBDY-UHFFFAOYSA-N 332.410 1.416 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 66083881 OTZBGROSGSKOEW-KBXCAEBGSA-N 345.399 1.137 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H](C)Cc1ccc(-c2ccccc2)cc1 83599672 MOJCRKUJMQLFQT-CQSZACIVSA-N 346.452 1.950 0 40 EDAB CC(C)C(=O)N1CCCN(S(=O)(=O)N(C)[C@@H](C)C2CC2)CC1 66578116 XBHRSTLTUNQXDZ-ZDUSSCGKSA-N 331.482 1.152 0 40 EDAB CS(=O)(=O)N1C[C@]2(CCN(Cc3ccncc3)C2)c2ncccc21 306131166 JXZDUGXIOVAWGP-QGZVFWFLSA-N 344.440 1.400 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCCNC(=O)OC(C)(C)C)C1 67435242 HFISSACNUCGBFK-TXEJJXNPSA-N 335.470 1.323 0 40 EDAB O=C(c1cccc(F)c1Cl)N1CCN(c2ccc(O)nn2)CC1 80186026 FIXHBSYZELWGTL-UHFFFAOYSA-N 336.754 1.937 0 40 EDAB CCSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 22606843 NKNQYHVXSCXIED-JTQLQIEISA-N 344.396 1.946 0 40 EDAB COc1ccc(-c2cc(C(=O)NCCc3c[nH]cn3)n[nH]2)c(OC)c1 15919372 BXGQOGJQBOFDHP-UHFFFAOYSA-N 341.371 1.790 0 40 EDAB c1cncc(CN2CCOC[C@@]3(CC[C@@H](Cn4cncn4)O3)C2)c1 306144555 ZINWGRGBKGEKEB-DLBZAZTESA-N 329.404 1.123 0 40 EDAB CC1CCN(C[C@@H](O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 71824992 JGGCOKMXBWOQJC-VQIMIIECSA-N 345.443 1.546 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c1 71869785 XKTWQBPSKPJPRY-HZPDHXFCSA-N 330.432 1.441 0 40 EDAB NC(=O)[C@H](CNC(=O)COCC(F)(F)F)Cc1ccc(F)cc1 71841534 WUIQPMXDSGRFPH-JTQLQIEISA-N 336.285 1.165 0 40 EDAB Cn1c(=O)ccn(CC(=O)N2CCCC[C@H]2Cc2ccccc2)c1=O 69378498 IULAXVHUHJDCIF-INIZCTEOSA-N 341.411 1.171 0 40 EDAB CCN1CCN(C(=O)CCCn2nnc(-c3ccccc3)n2)CC1 69369067 SXWLCEYJNHRVBY-UHFFFAOYSA-N 328.420 1.284 0 40 EDAB CN1CCN(CCOc2ccccc2NC(=O)N2CCCC2)CC1 71882499 KMJOGJUUNNKDRN-UHFFFAOYSA-N 332.448 1.941 0 40 EDAB O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCC2(C1)OCCO2 71920325 JLVOUBAQWTUIBN-CQSZACIVSA-N 335.404 1.575 0 40 EDAB CCN(CC)[C@@H](C(=O)N1CCN(C(=O)COC)CC1)c1ccccc1 69570431 KBTVFPWDMZRNRF-GOSISDBHSA-N 347.459 1.387 0 40 EDAB CN1CCN(c2ccccc2NS(=O)(=O)c2cccnc2)CC1 78773316 OMFIXFXFVJEAHR-UHFFFAOYSA-N 332.429 1.634 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)C3CCOCC3)CC2)n1 69513941 GGNQLCSIZXDIQZ-UHFFFAOYSA-N 334.420 1.259 0 40 EDAB CC[C@H](C)N(C)CCNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 69738044 BEFJQIJUNLGDIK-LBPRGKRZSA-N 348.490 1.099 0 40 EDAB Cc1cc(CNC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)on1 69776874 NZDPFRHVVDERBW-LBPRGKRZSA-N 325.434 1.937 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)N[C@H]1CCCc2ccccc21 69740462 OSROEISDLLEKRQ-HOCLYGCPSA-N 325.416 1.376 0 40 EDAB Cc1ccc(F)c(NC(=O)C(=O)NCCCN2CCC(O)CC2)c1 69921410 KFXNZPWRMATIKT-UHFFFAOYSA-N 337.395 1.036 0 40 EDAB CCNC(=O)c1cc(N2CCN(C(=O)c3ccoc3C)CC2)ccn1 95395760 FXKRMMDWFWGMEZ-UHFFFAOYSA-N 342.399 1.695 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 71185256 HPZYGRQUAFAGBV-SCZZXKLOSA-N 326.194 1.897 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c(=O)[nH]1 95440511 QSNRBNREBHWCRR-GOEBONIOSA-N 343.358 1.524 0 40 EDAB COc1cccc(CS(=O)(=O)NC[C@H]2COC3(CCCC3)O2)c1 95459487 LHVTWMNZBRWDKE-HNNXBMFYSA-N 341.429 1.800 0 40 EDAB CC[C@H](NC(=O)N1CCC[C@H]1C(=O)NC1CC1)c1c(C)nn(C)c1C 95436960 LCNDUHBDBJCYON-GJZGRUSLSA-N 347.463 1.941 0 40 EDAB O=S(=O)(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cncc(F)c1 95972869 QVEHQIZXSOKPST-ZDUSSCGKSA-N 349.387 1.584 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)CC2)on1 95956429 ASRCGXZDAJRLKU-CVEARBPZSA-N 329.404 1.164 0 40 EDAB CN1C(=O)c2cccc3c(S(=O)(=O)N(C)CC(C)(C)O)ccc1c23 95978047 BFKJMYYUEREWGB-UHFFFAOYSA-N 348.424 1.821 0 40 EDAB Cc1cnc([C@H](NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)C2CC2)s1 89702384 IZTNAXFMEUHQTJ-SMDDNHRTSA-N 334.445 1.965 0 40 EDAB O=C(COCC1CC1)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 89775009 SJZKQROSBPKLRW-UHFFFAOYSA-N 348.418 1.856 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1noc(C2CC2)n1 76044592 HCJJDOHKEQEOAS-CMPLNLGQSA-N 339.417 1.435 0 40 EDAB Cc1cccc2sc(NC(=O)C3(CS(C)(=O)=O)COC3)nc12 1548618299 KMXBHHLLXMAEPK-UHFFFAOYSA-N 340.426 1.604 0 40 EDAB CCn1nc(C)c(CN(C)C(=O)Cn2nnc3ccccc32)c1C 28233839 QAFGEDCOSVMIDI-UHFFFAOYSA-N 326.404 1.923 0 40 EDAB O=C(NCc1ccn(-c2ccccc2)n1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 518111441 FOVXVBDKGYQXNM-XMTFNYHQSA-N 336.395 1.967 0 40 EDAB C=CC(=O)Nc1ccc(O)c(C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)c1 1528123643 RWYLLGLUMPRVLA-NSHDSACASA-N 347.415 1.892 0 40 EDAB O=S(=O)(c1cccnc1)N1CCN(CCc2ccccc2F)CC1 121331354 KTBCUFLDCFRLMH-UHFFFAOYSA-N 349.431 1.770 0 40 EDAB O=C(NCCCn1cccn1)c1cc(-c2ccccc2)nc2ncnn12 36619390 BKDJUQHBKXUIJZ-UHFFFAOYSA-N 347.382 1.808 0 40 EDAB Cn1c(=O)[nH]c2cc(C(=O)OCCCn3ccccc3=O)ccc21 73297951 VXAASJQHWIVMIZ-UHFFFAOYSA-N 327.340 1.275 0 40 EDAB COC[C@]1(C(N)=S)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218466774 OGGRRYXSGGBLQV-GMXVVIOVSA-N 333.862 1.769 0 40 EDAB COc1ccc(NC(=O)CCc2nnc3ccc(OC)nn23)cc1 71285855 SSVBPOVJVCZOSC-UHFFFAOYSA-N 327.344 1.713 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C1CN(C(=O)c2cnccn2)C1 70808811 XHEAVDHDPNYLHR-UHFFFAOYSA-N 346.774 1.849 0 40 EDAB CCNS(=O)(=O)c1ccc(NCCCOCC)c(C(=O)O)c1 217540401 OSYZDCDIRYAIEJ-UHFFFAOYSA-N 330.406 1.522 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 72380463 IHBHSXAAHGOEIK-AWEZNQCLSA-N 340.449 1.569 0 40 EDAB O=S(=O)(N[C@H](c1cccnc1)C1CCOCC1)c1cccnc1 225623871 PZJRQQKUZNAYTI-INIZCTEOSA-N 333.413 1.923 0 40 EDAB Cc1cn(-c2ccccc2)nc1OCC(=O)NCCN1CCOCC1 226852355 MEDMHQNAQMOWAK-UHFFFAOYSA-N 344.415 1.008 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 223207216 SNPBWFSZBCCHQI-UHFFFAOYSA-N 342.403 1.039 0 40 EDAB COc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)cc1 224271737 VZYCPYIFLJPUCF-UHFFFAOYSA-N 334.401 1.886 0 40 EDAB Cc1cc(CN2C[C@H](n3ccnn3)[C@H](NC(=O)C=C3CCC3)C2)on1 1069909047 DMEGBMNVBPRLSP-CVEARBPZSA-N 342.403 1.227 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@@H](Oc2cccnn2)C1 225420008 GWZROWVPDAKHOQ-CYBMUJFWSA-N 347.396 1.254 0 40 EDAB COc1c(Br)c(C(=O)NCc2cnn(C)c2C)nn1C 96181021 ODHVGIHGDQEDNL-UHFFFAOYSA-N 342.197 1.163 0 40 EDAB CN(CCn1cnnc1)c1nc2ccccc2nc1N1CCOCC1 95449435 YEFLQFDORVPNJF-UHFFFAOYSA-N 339.403 1.194 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)NCc2cc3n(n2)CCCO3)c1 577878056 GVFDBNTUDMGUIV-CYBMUJFWSA-N 343.383 1.952 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(F)cc3F)C2)cn1 96410800 MGEDPDUJONEIGZ-NSHDSACASA-N 349.341 1.032 0 40 EDAB COC(=O)COc1ccccc1[C@H]1CC(=O)Oc2cc(C)[nH]c(=O)c21 95479700 WUBPXMSFPLFVLG-GFCCVEGCSA-N 343.335 1.676 0 40 EDAB CN(C)CCOC[C@H]1CN(C(=O)N2CCCC2)Cc2ccnn2C1 96189004 GZDSLOUOQHLFSX-HNNXBMFYSA-N 335.452 1.109 0 40 EDAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1 96036898 LFWPVVJNEUSHNI-MRXNPFEDSA-N 346.475 1.851 0 40 EDAB C[C@H]1c2ncc(CNC(=O)c3ccno3)n2CCN1C[C@@H]1CCOC1 96201317 FGKKPEVYPJWIAQ-STQMWFEESA-N 345.403 1.214 0 40 EDAB CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](CNC(=O)NC(C)C)COC1 96112490 BMUQGFAWBBRWOB-ZDUSSCGKSA-N 345.403 1.774 0 40 EDAB biogenic,in-vitro CO[C@H]1CCN(C(=O)c2ccnnc2)[C@@H]2CN(Cc3ccco3)C[C@H]12 96109494 DRYVMWKTCAFRAA-BBWFWOEESA-N 342.399 1.431 0 40 EDAB O=C(Cc1ccccc1)N1C[C@@H]2OCCN(C[C@@H]3CCCO3)[C@@H]2C1 96246491 RODLSUMYFIKYDV-KSZLIROESA-N 330.428 1.320 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 96082541 DAELHQZGKSIMBQ-BHYGNILZSA-N 342.399 1.641 0 40 EDAB CCCCS(=O)(=O)N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1 96189761 CHKHPOBTYWUJAP-HNNXBMFYSA-N 338.473 1.835 0 40 EDAB CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1ccc(C(=O)O)cn1 579308484 XZTVBKZYANAPBM-UHFFFAOYSA-N 331.372 1.253 0 40 EDAB Cc1ccc(CN2Cc3ccnn3C[C@H](C(=O)NCCN(C)C)C2)o1 96188836 WENSYPLULXFFQP-OAHLLOKOSA-N 345.447 1.094 0 40 EDAB O=C(NCC1CC1)[C@H]1CCC2(CCN(C(=O)c3ccco3)CC2)O1 96061186 AKUDMAGHXBPIOF-CQSZACIVSA-N 332.400 1.960 0 40 EDAB O=C(NC[C@@H]1OC[C@H]2CN(Cc3ccco3)CC[C@H]21)c1ccnnc1 96185352 WYVDPMZQKSBKNR-OIISXLGYSA-N 342.399 1.337 0 40 EDAB Cc1cccc(CN2CCC3(CC2)C(=O)N(C)CCN3CC2CC2)n1 96230284 CQNCZCKAWJOGLF-UHFFFAOYSA-N 342.487 1.909 0 40 EDAB O=C(c1cc[nH]n1)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 96223280 RQFXRSZOKUWOQY-BLLLJJGKSA-N 346.366 1.215 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@@H]12)N1CCCCO1 96057287 UKDCXGQUIQONAJ-ZACQAIPSSA-N 334.416 1.918 0 40 EDAB O=C(c1cccc2[nH]ccc12)N1CCC[C@@](O)(Cn2ccnn2)C1 583456262 KLUNHIZQTJAGBL-KRWDZBQOSA-N 325.372 1.427 0 40 EDAB Cc1cccc(NC(=O)Cc2ccc(OCc3nnnn3C)cc2)n1 96101406 HKZYERGKXUJXLH-UHFFFAOYSA-N 338.371 1.674 0 40 EDAB O=C(O)c1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCO2 1595255136 HQXSQINTICXRLL-UHFFFAOYSA-N 349.364 1.635 0 40 EDAB C[C@@H](NC(=O)C1CN(c2ncnc3c2nnn3C)C1)c1ccccc1 96096746 WRAOPZVMAREBSW-LLVKDONJSA-N 337.387 1.072 0 40 EDAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1scnc1C)C2 248028259 LCGRMYHSZRHELV-GFCCVEGCSA-N 330.475 1.477 0 40 EDAB COc1ccc(C(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1 243491149 NPXIKSXGDJLXOZ-QGZVFWFLSA-N 346.427 1.843 0 40 EDAB CN(C)CC(=O)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 247998010 NBWJVEAPZIWHPO-OAHLLOKOSA-N 333.432 1.167 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 257321895 WDSQOUYHJFPQIE-SFHVURJKSA-N 345.491 1.414 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)CC 252516523 TWOORSUUPMNTET-BFYDXBDKSA-N 339.457 1.658 0 40 EDAB O=C(c1cnco1)N1CCOC[C@@H](Cc2ccc3[nH]ncc3c2)C1 257287921 PSAISDKHRYLJDL-ZDUSSCGKSA-N 326.356 1.882 0 40 EDAB CN(C)c1cc([C@H]2CCCN(C(=O)c3cnc(O)nc3O)C2)ccn1 257343190 ZRVMMSZYUQUGAQ-LBPRGKRZSA-N 343.387 1.369 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)CCN3CCCC3=O)CCO2)n1 257217293 CYJOVJILKMJOFW-OAHLLOKOSA-N 346.431 1.060 0 40 EDAB COc1ccc(CN(CCO)C(=O)c2cc(O)nc(C)n2)cc1OC 257244985 INPHVBFDGGUTJG-UHFFFAOYSA-N 347.371 1.143 0 40 EDAB CCc1ncc(NC(=O)C(=O)N2CCc3c(F)cc(F)cc32)cn1 585079575 PMEAXSVCSJNIGL-UHFFFAOYSA-N 332.310 1.845 0 40 EDAB CCCn1cc(CN2CCO[C@@H](CCc3cc(O)ncn3)C2)cn1 257283847 PADCJVCBQJFYBJ-INIZCTEOSA-N 331.420 1.622 0 40 EDAB COCC(=O)N[C@@H](C(=O)O)c1c(C)nn(-c2ccc(F)cc2)c1C 585145989 SDYNSEWCWWWLNN-OAHLLOKOSA-N 335.335 1.517 0 40 EDAB O=C(/C=C/c1cn[nH]c1)NC[C@H](c1cccs1)N1CCOCC1 585135495 NGCAMTJLJKVCNW-RDFMZFSFSA-N 332.429 1.674 0 40 EDAB CO[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C1 585115753 QUGOTFARICTGFG-SNVBAGLBSA-N 342.442 1.400 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@H]3CCOC3=O)C2)c1 264793153 TWWQUVFHDXBRNI-HOCLYGCPSA-N 344.411 1.587 0 40 EDAB COC[C@]1(C(=O)O)CCCN1C(=O)c1ccc([S@](C)=O)cc1 591653036 WYRGCVGZCCDSTE-NYHFZMIOSA-N 325.386 1.130 0 40 EDAB O=C(NCCOc1ccccc1)Nc1cc(-n2cncn2)ncn1 96098013 ZJPTZIDEZIBFBJ-UHFFFAOYSA-N 325.332 1.258 0 40 EDAB Cn1nc(CNS(=O)(=O)/C=C/c2ccccc2)c2c1CCOC2 96104023 VFXFFQJQDRCWGL-CSKARUKUSA-N 333.413 1.583 0 40 EDAB CNc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1C[C@@]1(C)C(C)C 1615585854 GWYMMBNYBPMAAD-NHYWBVRUSA-N 325.434 1.996 0 40 EDAB O=C1CN(C[C@](O)(c2ccc(Br)cc2)C(F)F)CCN1 1615587821 LLBCEUDBDQBQJT-ZDUSSCGKSA-N 349.175 1.334 0 40 EDAB C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CC2(C1)CS(=O)(=O)C2 1615591176 QIBVCSWWMNTTIO-LBPRGKRZSA-N 338.429 1.153 0 40 EDAB CCS(=O)(=O)c1ccccc1CC(=O)N[C@@H]1C[C@@H](N)C12CCC2 1615555279 PKDLGXZQUXEIKF-HUUCEWRRSA-N 336.457 1.409 0 40 EDAB Cc1ocnc1CN1CCN(C(=O)[C@H]2CSCCS2)CC1 1615585861 GYXJGTOSKBQILU-CYBMUJFWSA-N 327.475 1.476 0 40 EDAB COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccon1 1615548954 PSIPOFDZPZRZHV-CVEARBPZSA-N 343.383 1.007 0 40 EDAB O=C(Cc1cccc(F)c1)NCCNc1cc(N2CCCC2)ncn1 390835666 UPOSPFMYOQCQAR-UHFFFAOYSA-N 343.406 1.987 0 40 EDAB O=S(=O)(c1cccs1)N1CC[C@H](Oc2ncc(F)cn2)C1 390826941 CWAKDHSLXFGBSC-JTQLQIEISA-N 329.378 1.519 0 40 EDAB Cn1cnc2c1C[C@H](CO)N(C(=O)c1cn3cc(Cl)ccc3n1)C2 585094797 NFAHPRVMKZHTAB-LLVKDONJSA-N 345.790 1.281 0 40 EDAB O=C(C1CC(F)C1)N1CC[C@]2(C1)C(=O)NC[C@H]2COc1ccccn1 585103878 DKAPKJWOPSNNOX-OGMSWHEOSA-N 347.390 1.173 0 40 EDAB O=C([C@H]1[C@H]2COC[C@H]21)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 585108811 NRLNEYQMSJEVOW-COZGXFGHSA-N 344.411 1.249 0 40 EDAB Cc1cccc(C[C@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]2O)c1 585279399 LRPIEDNIEQLKEC-MSOLQXFVSA-N 332.444 1.079 0 40 EDAB O=S(=O)(c1ccccc1)N1CC2(C[C@H](CO)CN2CC2CC2)C1 585093928 PZECJDIUWVHVNX-HNNXBMFYSA-N 336.457 1.154 0 40 EDAB CCc1nnc2n1CCN(C(=O)CCn1c(=O)oc3ccccc31)C2 69487190 AINHCEFISNALCJ-UHFFFAOYSA-N 341.371 1.181 0 40 EDAB COCCn1c(=O)[nH]c(=O)c2ccc(-c3ccc4c(c3)OCO4)nc21 44869555 JHRGZQTXFKVWRJ-UHFFFAOYSA-N 341.323 1.127 0 40 EDAB CS(=O)(=O)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1776001366 PHKZTJZCTGUHFC-UHFFFAOYSA-N 336.392 1.364 0 40 EDAB CN(Cc1ccc(O)cc1)C(=O)c1ccc(N2CCOCC2)nc1 52963263 IMQBRZNJNXCJAO-UHFFFAOYSA-N 327.384 1.896 0 40 EDAB CN1OC2(CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC1=O 1549163077 YMVGHQGWNAXDHE-UHFFFAOYSA-N 338.791 1.874 0 40 EDAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)c3cnccn3)cc2n1 12276536 XVQPNNWVLFUFJV-CQSZACIVSA-N 338.371 1.765 0 40 EDAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1OC 17072529 PSAOHKALWYJJHB-XNISGKROSA-N 349.383 1.241 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19347219 PIZPQHPWCGDULG-HNNXBMFYSA-N 327.384 1.808 0 40 EDAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cc2ccccc2nc1N(C)C 19575882 JMOWJHAYVDYJRN-JCGIZDLHSA-N 340.471 1.940 0 40 EDAB CC1CCN(S(=O)(=O)N2CCCN(c3ccccn3)CC2)CC1 19656663 HUYNSXRCZOPNCJ-UHFFFAOYSA-N 338.477 1.570 0 40 EDAB O=C(CC1(O)CCCCC1)Nc1cnn(CC(=O)N2CCCCC2)c1 19746127 UIAXBCGFSYBCGY-UHFFFAOYSA-N 348.447 1.919 0 40 EDAB Cc1csc(C(=O)N2CC(n3cc(CN4CCCC4=O)nn3)C2)c1 225630264 LQFCJVCMEFZHNI-UHFFFAOYSA-N 345.428 1.468 0 40 EDAB COc1cncc(O[C@@H]2CCN(S(=O)(=O)C3CCCCC3)C2)n1 225397215 BJDJEQMKZCUFQY-GFCCVEGCSA-N 341.433 1.601 0 40 EDAB Cc1ccc(C(=O)N2CCN(C3CCS(=O)(=O)CC3)CC2)s1 225811107 RHMFXEGTHZDJAY-UHFFFAOYSA-N 342.486 1.392 0 40 EDAB CSc1ccc2nc(N3CC[C@@]4(C3)NC(=O)NC4=O)sc2c1 1888865654 JVBQILBUURYLNH-AWEZNQCLSA-N 334.426 1.807 0 40 EDAB O=C(c1cc[nH]n1)N1CCC(COc2ccc3nccn3n2)CC1 1888879483 NDMVWSYJSSNQEJ-UHFFFAOYSA-N 326.360 1.384 0 40 EDAB Cn1cc(CN2CC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cn1 2037839903 DZZAUZZDWRPEBI-GOSISDBHSA-N 344.390 1.567 0 40 EDAB OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccc(F)cc1F 2037971222 APANOTUVECMEMO-ZSYWTGECSA-N 349.377 1.474 0 40 EDAB Cc1nccnc1N1CCO[C@@H](C(=O)N2CCC(F)(F)CC2)C1 2087126122 NIDGEXNXBDSWNT-GFCCVEGCSA-N 326.347 1.248 0 40 EDAB CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)[C@@H]1C[C@H]1F)CCC2 1565554880 JASDUYBYODSTMB-VXGBXAGGSA-N 336.411 1.749 0 40 EDAB CC(C)N(C)CC(=O)N1CCC2(CC1)CCN(c1cccnc1)C2=O 1565553185 NHHCLWWSQCFQPQ-UHFFFAOYSA-N 344.459 1.767 0 40 EDAB O=c1cc(CO)oc([C@H](Nc2ncccn2)c2ccc(F)cc2)c1O 38256 KCXADROKGXQEOT-CQSZACIVSA-N 343.314 1.968 0 40 EDAB biogenic COc1ccccc1NC(=O)C[C@H](NCCCCCCN)C(=O)O 8496156 HUIWRJWQLCYZLI-AWEZNQCLSA-N 337.420 1.586 0 40 EDAB O=C(CCCC(=O)N1CC(N2C(=O)[C@H]3C[C@@H]3C2=O)C1)c1ccccc1 585387027 MFMVJYLHWJZACP-GJZGRUSLSA-N 340.379 1.255 0 40 EDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@@H]1Cn1nccn1 618254718 DYYAFUWEFXLQGE-SNVBAGLBSA-N 344.799 1.924 0 40 EDAB COP(=O)(OC)[C@H](Nc1cc(=O)[nH]c(=O)[nH]1)c1ccc(F)cc1 2241413 QJLIZGCRRAZVMZ-LBPRGKRZSA-N 343.251 1.799 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@@]1(O)CCc2ccccc21 75155749 FFDSFGCEMDVZHT-KRWDZBQOSA-N 330.409 1.315 0 40 EDAB CC(C)Cn1cc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)cn1 96192173 RQXRZNDWBOPDMT-CYBMUJFWSA-N 330.388 1.801 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)c1cnc2ccccn2c1=O 40040371 CHHRXOSDALMGMN-UHFFFAOYSA-N 337.335 1.396 0 40 EDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 50081314 DVFHZMPOSHIIQL-QGZVFWFLSA-N 331.460 1.536 0 40 EDAB CCC[C@@](C)(NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)OC 30334437 HYCOFYISSNCEKR-CQSZACIVSA-N 333.381 1.844 0 40 EDAB O=C(O)c1ccccc1C(=O)Nc1ccc2c(=O)[nH]nc(O)c2c1 20096313 HVYYPFSLXAWIBU-UHFFFAOYSA-N 325.280 1.579 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)Cc2c(C)noc2C)cc1 40498980 CTNXDDXWEYLGPP-UHFFFAOYSA-N 337.401 1.058 0 40 EDAB C[C@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@H](C)O1 40487962 NYQXDTNXBBEGQL-QWRGUYRKSA-N 338.791 1.701 0 40 EDAB COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cn1 31601778 MXVDVMNKCWMRPU-LBPRGKRZSA-N 326.356 1.472 0 40 EDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccccc3F)ccc21 51134134 GWBUTTNMZCGFRW-UHFFFAOYSA-N 349.387 1.495 0 40 EDAB C[C@H](C(N)=O)S(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 40528998 JNUVDOHCZVRGRL-MRVPVSSYSA-N 328.777 1.784 0 40 EDAB O=C1NCCN1C1CCN(Cc2nc(-c3ccccc3)no2)CC1 52215097 RPHFBFLNSXMVKX-UHFFFAOYSA-N 327.388 1.726 0 40 EDAB C[C@@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccc1F 21412919 NWNSJGXQQGIOLZ-LLVKDONJSA-N 343.362 1.537 0 40 EDAB Cc1cc(NC(=O)N2CCN(C(=O)c3ccsc3)CC2)n(C)n1 52797500 XONVNYHCMKREHI-UHFFFAOYSA-N 333.417 1.780 0 40 EDAB CCOc1ccc(-c2nnn(CC(=O)NC[C@@H]3CCCO3)n2)cc1 412077 GWWDFKFPTIWFDO-AWEZNQCLSA-N 331.376 1.034 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 142088 PAVMVENJENUYQI-UHFFFAOYSA-N 333.369 1.545 0 40 EDAB CN1CCN(C(=O)C2CCN(c3ccnc(C(C)(C)C)n3)CC2)CC1 79016709 NQTPYCLIDSCSJK-UHFFFAOYSA-N 345.491 1.765 0 40 EDAB Cc1csc(NC(=O)Cn2nc(N3CCC(C)CC3)ccc2=O)n1 61717913 WBGURLLAFCFBAK-UHFFFAOYSA-N 347.444 1.883 0 40 EDAB CCOC(=O)/C(C(N)=S)=C1/NN=C(c2ccc(Cl)cc2)O1 3851872 RHUFLAGAPBLVGV-XFXZXTDPSA-N 325.777 1.682 0 40 EDAB O=C(NC[C@H](O)COc1ccccc1)Nc1nnc(C2CC2)s1 43359186 LJKLJRKKIHVZJF-NSHDSACASA-N 334.401 1.977 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cccn1)N1CCO[C@H]2CCCC[C@H]21 106783890 MSNPUXFXFKMCNP-KURKYZTESA-N 346.475 1.908 0 40 EDAB CN(Cc1cccc(C(N)=O)c1)c1cc(N2CCC[C@H]2CO)ncn1 106905936 IAYNHDLETLIXJS-HNNXBMFYSA-N 341.415 1.173 0 40 EDAB CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 6204770 BHPARDKFHZWOTM-CYBMUJFWSA-N 342.461 1.929 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1C)C2 97198178 WANINJBJSSSLAW-ZDUSSCGKSA-N 347.440 1.648 0 40 EDAB CC(C)(NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)C(N)=O 57255962 AQEWAPKBZCQACR-UHFFFAOYSA-N 344.390 1.884 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCCCn2ccnc2)[C@H]1c1ccccc1 57355499 MJNSFDUNXMSBLA-SJLPKXTDSA-N 340.427 1.999 0 40 EDAB O=C(Cn1c(-c2ccccc2)noc1=O)NCc1ccccc1F 58182825 PRAXQDLTFSGLIU-UHFFFAOYSA-N 327.315 1.959 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)cc1 44894679 YUKUFHAHJREWMU-UHFFFAOYSA-N 338.411 1.998 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)c1cc(Cl)c2c(c1)OCCO2 44940394 GWVKJPZSMCVABG-NSHDSACASA-N 340.807 1.562 0 40 EDAB Cc1nc2ccc(C(=O)c3ccccc3O)cn2c(=O)c1CC(=O)O 44978499 DEUNPGBZAHUVMJ-UHFFFAOYSA-N 338.319 1.567 0 40 EDAB Cc1noc(CCCC(=O)N(C)C[C@@H]2COc3ccccc3O2)n1 44939191 VRZTWOQGESHDSQ-CYBMUJFWSA-N 331.372 1.999 0 40 EDAB CC(C)N(CCCNC(=O)N1CCc2ccccc21)S(C)(=O)=O 44971474 CKCRVDVZWFUVOC-UHFFFAOYSA-N 339.461 1.819 0 40 EDAB Cc1cccc([C@@H](CC(=O)N2CCC3(CC2)OCCO3)NC(N)=O)c1 44909288 HOAKEBRPTWQJET-OAHLLOKOSA-N 347.415 1.460 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)OCc1ccccc1 58323987 GUQFXTXXTZUPEI-OCCSQVGLSA-N 333.388 1.025 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)c1OC 58706852 KRWKUYMVMHVZGB-TZMCWYRMSA-N 332.400 1.644 0 40 EDAB Cc1nn(C[C@@H](O)C(F)(F)F)c(C)c1S(=O)(=O)NC(C)(C)C 97141618 UXPKGNHNHJLQHA-SECBINFHSA-N 343.371 1.500 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 45409751 GJJBGZWKLURCSZ-OAHLLOKOSA-N 348.491 1.561 0 40 EDAB O=C(CCCNC(=O)C1CC1)N[C@H](Cn1cncn1)c1ccccc1 60362471 PSDZOHHJKPVPDK-MRXNPFEDSA-N 341.415 1.442 0 40 EDAB C[C@@H](NC(=O)NC[C@@H](O)c1ccc(F)c(F)c1)c1nncn1C 46498580 ILBHKUDAHYEHMJ-PRHODGIISA-N 325.319 1.187 0 40 EDAB O=[S@@](CCNS(=O)(=O)c1cncc(Cl)c1)c1ccccc1 95437277 SZCOZYWRGCYRNS-HXUWFJFHSA-N 344.845 1.821 0 40 EDAB CN1N=C(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)CCC1=O 46510129 MDFSRRGPDMEMHW-CQSZACIVSA-N 331.372 1.791 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN(CCS(C)(=O)=O)C(C)(C)C)C1 95428215 QULGEEWMMPYKBK-ZIAGYGMSSA-N 332.510 1.636 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)C2CC2)cc1 48234451 RRDDHZQANPGTKU-UHFFFAOYSA-N 331.397 1.534 0 40 EDAB C[C@H]1CCCCN1[C@@H](C)CNS(=O)(=O)c1ccc(C(N)=O)cc1 48250222 RKACINUVFZVWKE-STQMWFEESA-N 339.461 1.327 0 40 EDAB COc1ccc([C@@H](C)N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1 100745405 REKWHZMALYIKHA-PGSQKUSISA-N 329.352 1.623 0 40 EDAB Cc1cc(F)c(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1F 95463051 USQSULJTDKWLAS-UHFFFAOYSA-N 342.371 1.608 0 40 EDAB C[C@@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 48368851 QJWVZUSRXMSCBP-KOLCDFICSA-N 332.372 1.854 0 40 EDAB COc1cccc(CC(=O)NCc2ccc(CS(N)(=O)=O)cc2)c1 9112850 RILBIMPKZUUSQU-UHFFFAOYSA-N 348.424 1.343 0 40 EDAB Cn1ccnc1COc1ccc(CN[C@@H]2CCS(=O)(=O)C2)cc1 48684160 GDVWZOMWXTWENS-CQSZACIVSA-N 335.429 1.276 0 40 EDAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccnc2)n2nnnc2N1 13123611 MWYOTSASSPYXDS-CQSZACIVSA-N 334.343 1.391 0 40 EDAB CC(=O)O[C@@H]1CS(=O)(=O)C[C@@H]1N(C(C)=O)c1ccc(Cl)cc1 4159571 RBBAQGBOALVWFW-UONOGXRCSA-N 345.804 1.422 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 13625749 JTGRQMWRLWRVTQ-UHFFFAOYSA-N 325.372 1.773 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCc2nccn2C1 65465724 XQMLCOGHQHNVQB-GFCCVEGCSA-N 333.413 1.422 0 40 EDAB CN(C(=O)C1=COCCO1)[C@H]1CCN(c2ccccc2Cl)C1=O 110914085 ZLSLALXWBGDGRQ-ZDUSSCGKSA-N 336.775 1.792 0 40 EDAB COc1ccc(NCC(=O)N2CCC[C@@H](C)C2)cc1-n1nnnc1C 65566673 LDDBAISBPGQVTQ-GFCCVEGCSA-N 344.419 1.650 0 40 EDAB CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC12CC3CC(CC(C3)C1)C2 65577131 NRWSBQNEWRRPRS-URZJAHPPSA-N 335.448 1.089 0 40 EDAB CC(=O)c1sc2nc(CSc3n[nH]c(N)n3)[nH]c(=O)c2c1C 6506382 MGLRWDCYIXPOHE-UHFFFAOYSA-N 336.402 1.488 0 40 EDAB Cc1nc2nc(CCNS(=O)(=O)c3cccs3)cn2nc1C 6665455 IOAMVOZBQHQFJM-UHFFFAOYSA-N 337.430 1.324 0 40 EDAB CC(C)NC(=O)C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6755892 NCYNVKJOUOEESR-UHFFFAOYSA-N 339.417 1.161 0 40 EDAB CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)C2CCCCC2)CC1 66580070 PJQFBKWFWKKMBB-MRXNPFEDSA-N 343.537 1.751 0 40 EDAB C[C@H](C(=O)NCc1n[nH]c(-c2cccnc2)n1)N1CCCCCC1 95404232 JOAFJJYDWXAEKN-CYBMUJFWSA-N 328.420 1.747 0 40 EDAB COc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)C3CC3)CC2)cc1 14931990 CMEBQERXHKPHRX-CYBMUJFWSA-N 331.416 1.576 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 6928272 BNVZLGICBZZLCC-SMDDNHRTSA-N 342.848 1.829 0 40 EDAB O[C@H](CN1CCC[C@@H]1Cn1cncn1)c1ccc2c(c1)OCCO2 71875163 YONMCNARSLJHSL-HUUCEWRRSA-N 330.388 1.247 0 40 EDAB NC(=O)[C@@H](CNC(=O)COCC(F)(F)F)Cc1ccc(F)cc1 71841535 WUIQPMXDSGRFPH-SNVBAGLBSA-N 336.285 1.165 0 40 EDAB Cn1c(C(=O)N2CCC[C@H](N3CCNC3=O)C2)cc(Cl)c1Cl 71830621 QYKBFCXTHWTISC-VIFPVBQESA-N 345.230 1.962 0 40 EDAB CCN1CCC[C@H]1CNC(=O)c1ccc(N2CCOCC2)c(F)c1 71883636 VZPHLSNOXQPVGY-HNNXBMFYSA-N 335.423 1.876 0 40 EDAB Cc1cnn(-c2ccc(C(=O)N3CCN(C[C@H](C)O)CC3)cc2)c1 71871291 NRAOORSGYJISHR-HNNXBMFYSA-N 328.416 1.319 0 40 EDAB COc1cc(C)cc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)c1O 71882443 AXRMALXMBIOARS-CQSZACIVSA-N 328.368 1.536 0 40 EDAB CC(C)[C@H](NC1CCOCC1)C(=O)N1CCC(n2ccnc2)CC1 71916799 CAMIOEVAJJBZEF-KRWDZBQOSA-N 334.464 1.840 0 40 EDAB CN1CCO[C@@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C1 81235744 UDLXHKDSIGVVNI-QGZVFWFLSA-N 345.443 1.260 0 40 EDAB CCCCN(C(=O)c1ccncc1)c1c(N)n(CCC)c(=O)[nH]c1=O 7985935 JQAFUVGKONKVSW-UHFFFAOYSA-N 345.403 1.371 0 40 EDAB COCCN1CCN(Cc2noc(-c3ccc(OC)cc3)n2)C[C@H]1C 70020678 OFHLSCBHILZYSI-CQSZACIVSA-N 346.431 1.898 0 40 EDAB CCOc1ccccc1CNC(=O)Cc1c(C)[nH]c2ccnn2c1=O 69350070 MNMGESQRDBBDIW-UHFFFAOYSA-N 340.383 1.589 0 40 EDAB O=S(=O)(CCCN1CCO[C@H](Cn2cccn2)C1)c1ccccc1 69454660 WDIVSXKKMPMWLI-INIZCTEOSA-N 349.456 1.448 0 40 EDAB O=C(Nc1cnn(CCN2CCOCC2)c1)c1ccc(F)c(F)c1 69570711 GICZBKUNYOMUQH-UHFFFAOYSA-N 336.342 1.746 0 40 EDAB Cc1ccc(CC(=O)NCCNc2nnnn2-c2ccccc2)cc1 69570799 XXYLUBVGFJUWPE-UHFFFAOYSA-N 336.399 1.742 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)c3cn[nH]c3CC)CC2)n1 69531924 VFOQHNQFEXGWDA-UHFFFAOYSA-N 344.419 1.432 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-n3nccn3)cc2)o1 69590613 BKTVJMFTZXTYQL-UHFFFAOYSA-N 348.340 1.448 0 40 EDAB O=C(NCCN1CCOCC1)NCc1ccc(Br)cc1 69656564 PUQDVCDXIYLRAE-UHFFFAOYSA-N 342.237 1.581 0 40 EDAB COC(=O)CCC(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 69627207 ILFIRJCSXWEAHB-LBPRGKRZSA-N 340.807 1.997 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCc2nccs2)c1C 69739648 TUNAWQMNSZQYQF-UHFFFAOYSA-N 326.399 1.717 0 40 EDAB COCC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 69703108 QALCKMSRCWDCEN-HZPDHXFCSA-N 336.436 1.114 0 40 EDAB COc1ncccc1CNC(=O)Nc1cc(-n2cnnn2)ccc1F 69814435 DBRHUBCPSUJXGH-UHFFFAOYSA-N 343.322 1.527 0 40 EDAB C[C@@H](CC(=O)N1CCCN(Cc2nccn2C)CC1)n1cccc1 69879888 WVONVSVNOYTENS-INIZCTEOSA-N 329.448 1.907 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@H]1C 69951259 HKULONLQFWBWBQ-YPMHNXCESA-N 340.493 1.739 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)cc1 69970022 DTPZUUFKKOZXOC-OAHLLOKOSA-N 347.440 1.982 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)NCCc1cccs1 69924254 JZNHMDJCNKTNSW-IRXDYDNUSA-N 349.500 1.882 0 40 EDAB NC(=O)[C@H]1COCCN1Cc1cccc(OCc2ccccc2)c1 92229045 FPNAIONXEKWDEF-GOSISDBHSA-N 326.396 1.952 0 40 EDAB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)CC(=O)Nc1nccs1 95396537 YUOSUCXCVBNFNB-WDEREUQCSA-N 338.433 1.377 0 40 EDAB COc1ncnc2c1CN(Cc1ccccc1N1CCOCC1)CC2 92808194 HAMQOGGNGBKGQS-UHFFFAOYSA-N 340.427 1.880 0 40 EDAB O=C1CC[C@@H](C(=O)NCc2ccc(OC3CCCCC3)nc2)CN1 71185699 OBRHIQRHUVFREE-CQSZACIVSA-N 331.416 1.936 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@@H]1Cc2ccccc2O1 72283886 XRKZTTNYGCKZCJ-HNNXBMFYSA-N 338.367 1.259 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCC(=O)N3)no1 72299205 BTYIHDZRDFRXFB-LBPRGKRZSA-N 342.355 1.940 0 40 EDAB CN(Cc1cscn1)C(=O)[C@H]1COCC(=O)N1Cc1ccccc1 89364877 KWLCZWMISNUVHP-OAHLLOKOSA-N 345.424 1.529 0 40 EDAB COc1cc(OC)c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1OC 75145614 WCMZVCJBNYZFCO-AWEZNQCLSA-N 349.305 1.852 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@H]1N(C)C 89948463 YKOYTCBDXDHFMQ-DGCLKSJQSA-N 345.365 1.666 0 40 EDAB C[C@H]1CN(C(=O)COc2ccc(N3CCCC3=O)cc2)C[C@@H]1N(C)C 76050976 JJJOBOSZHUTCBU-YOEHRIQHSA-N 345.443 1.601 0 40 EDAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1 408547973 BDONUKUIZJATNZ-ZECSTPGPSA-N 332.356 1.930 0 40 EDAB O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@@H]1C2 306125620 CVZXZEPLYIHNFI-STQMWFEESA-N 327.388 1.068 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccsc1)N(C)C 38673366 DBQQTDVITZWDMM-GFCCVEGCSA-N 329.447 1.934 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)NCc2ccco2)C1 521396680 ODHSMVJCJNNOAD-UMVBOHGHSA-N 340.445 1.594 0 40 EDAB Cn1cccc(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1=O 70639903 CUEMDMFICDXQOJ-ZDUSSCGKSA-N 340.301 1.868 0 40 EDAB CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]1(COC)C(=O)O 218447480 LTQODGRBUJRCGA-SGMGOOAPSA-N 332.805 1.958 0 40 EDAB C[C@H](C(=O)NC1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 78927067 SNTWCCKQRXMZMO-CQSZACIVSA-N 335.423 1.631 0 40 EDAB C[C@@H]1CN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C[C@@H](C)O1 38518065 UISUILQUCOLPGN-ZIAGYGMSSA-N 327.384 1.546 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)Nc1ccccc1 77265118 WEOBDGZLMXKDSC-KURKYZTESA-N 341.411 1.726 0 40 EDAB biogenic,in-vitro Cc1cccc(O)c1NC(=O)CCCS(=O)(=O)N1CCCC1 183036280 LTKFXKUTBWRTJD-UHFFFAOYSA-N 326.418 1.845 0 40 EDAB CC(=O)N1CCC(N2CCN3C(=O)N(c4ccccn4)C[C@H]3C2)CC1 85436159 KQPASBNTNBXNJG-MRXNPFEDSA-N 343.431 1.019 0 40 EDAB biogenic,in-vitro Cc1noc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 44454128 GTPKKJDJWDRXAY-SNVBAGLBSA-N 334.763 1.701 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)NCCc3ccccc3)C2)nn1 225440538 YLZULXYEDMQZQX-OAHLLOKOSA-N 342.399 1.891 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 195544930 SOQUDYCXXLBYKM-GDBMZVCRSA-N 349.456 1.863 0 40 EDAB O=C(CCOC1CCOCC1)N1CCC[C@@](O)(C(F)(F)F)CC1 329221366 URSFIVIEKLEMSW-AWEZNQCLSA-N 339.354 1.878 0 40 EDAB O=C(CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)NCc1ccco1 190754932 DHAYIORTHGDTRX-CQSZACIVSA-N 326.352 1.514 0 40 EDAB Cc1ccc(CC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCCN3)C2)cc1 225482166 FSQGMEDSSNWLFI-MSOLQXFVSA-N 343.471 1.644 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3nccnc3N)CC2)cc1F 44894454 GVPDQLBVISGMTJ-UHFFFAOYSA-N 345.378 1.165 0 40 EDAB CCO[C@H]1C[C@H](O)C12CCN(c1nnnn1-c1ccc(C)cc1)CC2 96421014 KJVGTDWZPVRDRM-HOTGVXAUSA-N 343.431 1.727 0 40 EDAB O=C(Cn1nc2n(c1=O)CCCC2)NCCc1ccc(Cl)cc1 98211229 OAWFTTOOMXKBGW-UHFFFAOYSA-N 334.807 1.393 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@@H]12)N1CCCC1 96057213 QVNLKOPCZWCBAT-KURKYZTESA-N 329.444 1.789 0 40 EDAB Cc1cccc(=O)n1CCCCNC(=O)N1CCOC[C@H]1C1CC1 96485514 LAWLTGFAFHUMBE-INIZCTEOSA-N 333.432 1.757 0 40 EDAB COCC(=O)N[C@@H]1COCCC12CCN(Cc1ccsc1)CC2 96220717 RBSQOBNQXMVWLY-OAHLLOKOSA-N 338.473 1.882 0 40 EDAB CN1C(=O)C[C@@H](c2ccccc2)C12CCN(S(=O)(=O)C1CC1)CC2 96199670 AETAZWQNWSSNLZ-INIZCTEOSA-N 348.468 1.959 0 40 EDAB O=C(c1ccccn1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96208809 DFZAMBQIGPGVQI-BEFAXECRSA-N 339.395 1.782 0 40 EDAB O=C(O)[C@H]1C[C@@H](N2CCOCC2)CCN1C(=O)Cc1ccsc1 96198743 MNQPMCPNZMTWKS-UONOGXRCSA-N 338.429 1.067 0 40 EDAB COCCOC1CN(C(=O)Cc2cccc(Br)c2)C1 96450023 CPOBETFHVCCBEX-UHFFFAOYSA-N 328.206 1.865 0 40 EDAB Cc1noc(C)c1CN1CCC[C@]2(C1)CN(C(=O)C1CC1)CCO2 96226725 AQCKMOIDKXGPBO-SFHVURJKSA-N 333.432 1.895 0 40 EDAB CCC12CN3CC(C)(CN(C1)C31C(=O)N(C)c3ccccc31)C2=O 95346034 WDLXTABTDKVXFB-UHFFFAOYSA-N 325.412 1.432 0 40 EDAB biogenic O=C(c1cccs1)N1CCc2ncnc(N3CCOCC3)c2CC1 96255729 ZPHIVLRMYHRVOT-UHFFFAOYSA-N 344.440 1.616 0 40 EDAB CC1CCN(C[C@@H](O)COc2ccc(Cl)cc2C(N)=O)CC1 95439043 YDMOHQXIBMZCJP-CYBMUJFWSA-N 326.824 1.911 0 40 EDAB CC(C)n1ccc(C(=O)NCCNC(=O)c2n[nH]c3ccccc23)n1 95396463 ROHYLVDGVRXBQW-UHFFFAOYSA-N 340.387 1.500 0 40 EDAB Cc1noc(C[C@@H]2COC[C@H]3CN(C(=O)c4ccncc4)C[C@@H]23)n1 96057265 GMYOBYKYRJSGNN-KFWWJZLASA-N 328.372 1.350 0 40 EDAB Cc1noc(CCNC(=O)N2CCO[C@H](CCc3ccccc3)C2)n1 96502673 RCTGROZPTHAKFE-MRXNPFEDSA-N 344.415 1.964 0 40 EDAB CO[C@H]1C[C@@H](C(=O)NCc2ccccc2-n2ccnc2C)N(C)C1 583618033 WKGYUFGLXROBRY-RDJZCZTQSA-N 328.416 1.516 0 40 EDAB CN1C[C@@H](NC(=O)c2ccc3nnn(C)c3c2)CC[C@H]1C(F)(F)F 583618072 ABDKWWIRHAPBPU-GWCFXTLKSA-N 341.337 1.723 0 40 EDAB CN(C)c1ncnc2c1CN(Cc1nnnn1-c1ccccc1)CC2 97202318 FLUBDUHLLQANTD-UHFFFAOYSA-N 336.403 1.077 0 40 EDAB CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccc(C)o3)C2)OC1 248130677 YKGFZPVSHDPGDF-CQSZACIVSA-N 342.461 1.508 0 40 EDAB CCc1nnsc1C(=O)N(C)C[C@]1(O)CCN(c2ccccn2)C1 257273259 NFWNHECDCNJSMO-MRXNPFEDSA-N 347.444 1.209 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257342409 ZOLUOKDYPQALLA-HOTGVXAUSA-N 331.420 1.380 0 40 EDAB O=C(CCCn1cccn1)NC[C@@]1(O)CCCN(c2ccccn2)C1 257257838 KRHHQOSIAMMWBY-SFHVURJKSA-N 343.431 1.206 0 40 EDAB Cc1nccc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)n1 257294270 QTIIMVPWOJVWPC-AWEZNQCLSA-N 327.388 1.236 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)CCc2cn(C)nc2C)CCO1 257253008 JXFCYQGDCMCLDU-AWEZNQCLSA-N 344.419 1.093 0 40 EDAB O=C(CCc1cccs1)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257333342 YBEOQRPUOJZXKP-BFYDXBDKSA-N 338.473 1.411 0 40 EDAB Cc1ccc(Cc2nnn(C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)n2)cc1 252539423 NYGYJILUMAUZRS-YQQAZPJKSA-N 345.447 1.042 0 40 EDAB Cc1nc2ccc(N3CCC[C@H](c4nncn4C(C)C)C3)nn2n1 252499326 RYUDFTNXCCTXNP-ZDUSSCGKSA-N 326.408 1.989 0 40 EDAB CO[C@H]1CN(C(=O)c2ccc(OCCN(C)C)cc2)C[C@@]12CCCO2 257260897 LEYNNDZEUQTJOK-HKUYNNGSSA-N 348.443 1.647 0 40 EDAB NC(=O)C[C@@H]1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 585083423 FROAYEMUVSNNIF-VIFPVBQESA-N 336.335 1.682 0 40 EDAB Cc1ccc(CN2CC[C@H](N3C(=O)[C@H]4CCCN4C3=O)C2=O)cc1 253429734 DFIMXRICEBIZKJ-CABCVRRESA-N 327.384 1.523 0 40 EDAB Cc1cc(S(=O)(=O)NC[C@@H]2CCN(C(N)=O)C2)cc(C)c1F 585115140 OGIUOOATUZSQCD-NSHDSACASA-N 329.397 1.121 0 40 EDAB NC(=O)CNC(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 585138319 DWVVPBPVSOLNHQ-QGZVFWFLSA-N 343.402 1.628 0 40 EDAB COCCOc1ccc(NC(=O)[C@@H]2CCCNC2=O)cc1Cl 585131735 FDGTUGHPGPZQBV-LLVKDONJSA-N 326.780 1.830 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)[nH]1 585114070 UKWZMEGAZCZXDB-ZDUSSCGKSA-N 334.445 1.891 0 40 EDAB O=C(Cc1ccsc1)NC[C@@]1(O)CCCN(c2ncccn2)C1 257235216 GWXUHVNSJQUCTH-INIZCTEOSA-N 332.429 1.228 0 40 EDAB O=C(CNC(=O)N1CCCC1)Nc1ccc(-n2ccc(O)n2)c(F)c1 1615547834 MJXWHHOWFJGYTA-UHFFFAOYSA-N 347.350 1.461 0 40 EDAB Cn1nc(CNC(=O)c2ccc3nsnc3c2)c2c1CCOC2 96103990 IUKBNEZEZZNALZ-UHFFFAOYSA-N 329.385 1.428 0 40 EDAB CC(=O)N1CCC(N2CCO[C@@](CO)(Cc3ccccc3)C2)CC1 585269207 LOSNEDKYBLBLBK-IBGZPJMESA-N 332.444 1.303 0 40 EDAB COCc1nnc2n1CCN(C(=O)c1cc(C)nc(C)c1)[C@H](C)C2 585098033 QSFRMNVTQZYYIW-CYBMUJFWSA-N 329.404 1.523 0 40 EDAB O=C(CCN1CCC[C@@H]1c1cccc2c1OCCO2)N1CCOCC1 66899186 PYEZFZLZCPWQNK-MRXNPFEDSA-N 346.427 1.844 0 40 EDAB O=[S@@](CCN1CCCC[C@@H]1CN1CCOCC1)c1ccccc1 71897338 RYGWNSLQGJVMAF-UZUQRXQVSA-N 336.501 1.981 0 40 EDAB Cc1nnc(CN2CCN(C[C@@H](O)c3ccccc3F)CC2)n1C 71877060 HWPWJSLBWDBSSI-MRXNPFEDSA-N 333.411 1.114 0 40 EDAB CC1CCN(CCNC(=O)C2CCN(Cc3nccn3C)CC2)CC1 54780151 ICCVLPDHCNVBOO-UHFFFAOYSA-N 347.507 1.480 0 40 EDAB Cc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1S(N)(=O)=O 78818968 GXNGRNLMQLKLQC-UHFFFAOYSA-N 340.430 1.870 0 40 EDAB C[S@@](=O)c1ccc(CNC(=O)c2cccc3c2OCC(=O)N3)cc1 79613760 HMFXNJHQSAVBHA-DEOSSOPVSA-N 344.392 1.685 0 40 EDAB CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCCNS(C)(=O)=O)cc1 96419244 OJMHVCRHTINGBE-HZPDHXFCSA-N 338.473 1.969 0 40 EDAB O=C(O)C[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(C(=O)O)c1F 1610762683 DQLOVRQQIDBKEH-SSDOTTSWSA-N 349.311 1.291 0 40 EDAB Cc1nc(O)cc(C(=O)N2CC[C@](O)(COc3cccc(F)c3)C2)n1 1615146915 YTKVAOWBSSGFCZ-QGZVFWFLSA-N 347.346 1.286 0 40 EDAB O=C(c1coc2ccccc12)N1CCOC2(CCS(=O)(=O)CC2)C1 1615613520 AUHFKMPMOJEYNA-UHFFFAOYSA-N 349.408 1.853 0 40 EDAB CCn1nnc2cc(C(=O)OCC(=O)NCc3ccco3)ccc21 5805288 ZDNQKTHDNYDFGM-UHFFFAOYSA-N 328.328 1.517 0 40 EDAB O=C(N1CCCC1)[C@]1(Cc2cc([C@H]3CCOC3)no2)CCCNC1 12366013 NGSVPKRRRKJYQU-KSSFIOAISA-N 333.432 1.713 0 40 EDAB COc1cccc(CNC(=O)CSCC(=O)Nc2cc(C)on2)c1 12933410 DIPYEZLZIOFUNY-UHFFFAOYSA-N 349.412 1.980 0 40 EDAB COCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCCCC2)no1 15673426 FFJYKIYIPNTPDI-GJZGRUSLSA-N 335.448 1.992 0 40 EDAB biogenic,in-vitro O=C([C@H]1CCCO1)N1CCC[C@@H](c2cc3cccnc3c(=O)[nH]2)C1 19347207 QCNUFBITADBBPM-UKRRQHHQSA-N 327.384 1.808 0 40 EDAB O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCCC1 4479653 OCIYJCLICWACPJ-LBPRGKRZSA-N 331.372 1.369 0 40 EDAB Cc1nc2ccc(OCC3CCN(S(C)(=O)=O)CC3)nn2c1C 1888863657 LUODTKYMJAQFRN-UHFFFAOYSA-N 338.433 1.397 0 40 EDAB NC(=O)NC(=O)CCN(CC(=O)Nc1ccccc1)Cc1ccco1 22963379 UMIBQFWPSLPFGZ-UHFFFAOYSA-N 344.371 1.305 0 40 EDAB CC(C)[C@H](Cn1nccn1)NC(=O)c1ccc(Cn2ccnc2)cc1 238880270 PBOXQOORDUAUHI-KRWDZBQOSA-N 338.415 1.978 0 40 EDAB Cc1cc(Nc2nccs2)nc([C@@H]2CCN(S(C)(=O)=O)C2)n1 2037836056 OGPFHKRLZJMAJH-SNVBAGLBSA-N 339.446 1.734 0 40 EDAB O=C1C[C@H](N2c3cccc4cccc(c34)S2(=O)=O)[C@H]2CO[C@@H]1O2 6659532 AMPFCEAVGZSZOT-NORZTCDRSA-N 331.349 1.431 0 40 EDAB CN(C)[C@@H](CNC(=O)C(=O)NCCc1ccccc1)c1ccsc1 8863704 UGRCJCQZOPZBNB-INIZCTEOSA-N 345.468 1.826 0 40 EDAB COc1ccccc1NC(=O)C(=O)NCC1(N2CCOCC2)CCC1 1775974435 RJCOMRFBMVQQLX-UHFFFAOYSA-N 347.415 1.005 0 40 EDAB Cn1ncc2c(N3C[C@H]4CN(c5ncccc5F)C[C@H]4C3)ncnc21 2086866206 RMRUJEAUAUNKRQ-TXEJJXNPSA-N 339.378 1.470 0 40 EDAB O=C(NCc1ccco1)c1cn(C[C@H]2CCCO2)cc2c(=O)[nH]nc1-2 38670616 NASVGKSPIBMRAU-GFCCVEGCSA-N 342.355 1.378 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](Oc2ccncn2)C1 575614079 WISNGKQPTXBOAP-ZDUSSCGKSA-N 337.376 1.766 0 40 EDAB CNC(=O)CN1CCC(NC(=O)Cn2cc(C)c3ccccc32)CC1 50313355 BPMGKTAQHNONEJ-UHFFFAOYSA-N 342.443 1.276 0 40 EDAB CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@@H]1c1ccc(OC)cc1 34790 OVNOHUAKTBMEGD-OAHLLOKOSA-N 334.372 1.591 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)C(=O)Nc1cccc2[nH]ccc12 40309796 ARZNVTVJJTUIPR-ZDUSSCGKSA-N 349.412 1.517 0 40 EDAB biogenic NC(=O)[C@@H]1CN(C(=O)c2cccnc2Oc2ccccc2)CCO1 50857116 NHCVAQGEIDOWPI-AWEZNQCLSA-N 327.340 1.200 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(F)c1 40493518 YYIWGGKNFQJPFO-FZMZJTMJSA-N 328.409 1.817 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1nnc2n1CCCCC2 40461274 RVNQWEJXVUVPBX-UHFFFAOYSA-N 325.394 1.088 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1cnn(-c2ccccc2)n1 40527742 LVGQTALLTRETQV-OAHLLOKOSA-N 329.385 1.195 0 40 EDAB C[C@H]1C[C@@H]1c1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)C2CC2)o1 40513758 GKLHWYYEKKVWRY-LRDDRELGSA-N 343.427 1.965 0 40 EDAB COCC(=O)N1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1 40542328 FSJGDAGUDYNVFQ-UHFFFAOYSA-N 328.315 1.219 0 40 EDAB CN(C)CCNC(=O)c1nnc(-c2cccc(Br)c2)o1 20745182 KQIVUHCLTOIMOK-UHFFFAOYSA-N 339.193 1.791 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)cc1N(C)C 101647578 WQKRSMJYLUQPAD-OAHLLOKOSA-N 335.473 1.696 0 40 EDAB CC[C@@H](C)Oc1ccc([C@@H]2C=C(C(=O)O)Nc3nnnn32)cc1OC 101675119 DLLZULJGTMKTFL-SKDRFNHKSA-N 345.359 1.842 0 40 EDAB CCCNC(=O)NC(=O)CNc1cc(C(=O)OC)c(F)cc1F 32788534 NPCHIHPZJILFJS-UHFFFAOYSA-N 329.303 1.399 0 40 EDAB Cc1nn(CC(=O)N2CCO[C@@H]3CCC[C@H]32)c(=O)c2ccccc12 53372398 LEDSULFTHHLACO-HZPDHXFCSA-N 327.384 1.485 0 40 EDAB Cn1cc(Cl)cc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 23316922 JSHBWOOWPLQVQZ-GFCCVEGCSA-N 339.823 1.390 0 40 EDAB CC[C@@H](C)OC(=O)Cn1cnc2sc(C(=O)OC)c(C)c2c1=O 150442 IISFZSXWSVBNDA-MRVPVSSYSA-N 338.385 1.895 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)ccc1=O 54663444 QFIMGFYCFPRGSK-LBPRGKRZSA-N 331.376 1.365 0 40 EDAB CN(C(=O)C1CC1)c1ccccc1C(=O)NC[C@H](O)C1CCOCC1 73146908 GXGOLMADQYRFLY-KRWDZBQOSA-N 346.427 1.577 0 40 EDAB CSc1ncc(C(=O)NCC(=O)NC(C)C)n1-c1ccccc1 9115941 XYGPCOJMEIXBCW-UHFFFAOYSA-N 332.429 1.849 0 40 EDAB CC(C)n1nccc1NC(=O)CN1CCn2c(nnc2C2CC2)C1 78787912 SUNBFAOMOYPVCP-UHFFFAOYSA-N 329.408 1.387 0 40 EDAB CSc1nc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c2ccccn12 106519130 VXLLGBYPGLGHFE-QWHCGFSZSA-N 346.456 1.649 0 40 EDAB COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@H]2CCCO2)C3)cc1 4854736 FYEKAEVDROTGCY-CZUORRHYSA-N 343.383 1.324 0 40 EDAB COc1ccc(OC[C@H](O)CN(CCO)CCO)c(C(C)(C)C)c1 6552181 BYINXSWQNYJQKF-CQSZACIVSA-N 341.448 1.019 0 40 EDAB COCCNC(=O)CCNC(=O)c1ccc(N2CCC(C)=N2)cc1 56189798 LYEYJHOVDKPBFF-UHFFFAOYSA-N 332.404 1.155 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)Cc2cn3ccsc3n2)c2ccccc2O1 12582217 OQRJRENVWKSVTH-ZDUSSCGKSA-N 342.380 1.218 0 40 EDAB C[C@H](Sc1nc2ncccn2n1)C(=O)NC(=O)Nc1ccccc1 10079267 BNMFTIHIHJYAMC-JTQLQIEISA-N 342.384 1.953 0 40 EDAB Cc1ccc(CNC(=O)c2cnn(-c3ccc(O)nn3)c2C)s1 58114325 SXXYFIYAXWJLNP-UHFFFAOYSA-N 329.385 1.976 0 40 EDAB CCN(C(C)=O)c1nc(CN2CCN(c3cnccn3)CC2)cs1 27633761 QSUQCNWBFJCHSY-UHFFFAOYSA-N 346.460 1.628 0 40 EDAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(O)nn1 27674546 NVWIJBOGTGFHBM-OAHLLOKOSA-N 346.362 1.125 0 40 EDAB COCCOc1ccc([C@@H](C)N2C(=O)[C@H](C)NC2=S)cc1OC 55179226 URSGCSDCEXPJEK-WDEREUQCSA-N 338.429 1.887 0 40 EDAB COc1cc(CNC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)ccc1O 58268117 IDVDLGOORAFOOE-AWEZNQCLSA-N 334.416 1.912 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)CN3CCC(O)CC3)cc2)C[C@@H](C)O1 58209388 OHFTYMOIWKZIDO-GASCZTMLSA-N 347.459 1.695 0 40 EDAB CN(C(=O)c1ccc(Cn2ccnc2)cc1)[C@@H]1CCS(=O)(=O)C1 44942659 NAYNRJKDXXCQLF-OAHLLOKOSA-N 333.413 1.191 0 40 EDAB C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1cc(F)ccc1F 44919651 WVIKERKNIQQMEY-VIFPVBQESA-N 347.387 1.058 0 40 EDAB C[C@H](O)CN(CC(=O)NC(=O)NCc1ccco1)c1ccccc1 58315287 DXVRAZHOSXDADB-ZDUSSCGKSA-N 331.372 1.493 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cc2ccccc2[nH]1 58369982 BSOODPCATIXQSE-GJZGRUSLSA-N 339.395 1.959 0 40 EDAB C[C@@H](O)CN(CC(=O)NC(=O)NCc1ccco1)c1ccccc1 58315288 DXVRAZHOSXDADB-CYBMUJFWSA-N 331.372 1.493 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](N)C2)c(Br)c1 36297020 GVKXRDQAUHTHKK-SNVBAGLBSA-N 333.251 1.869 0 40 EDAB Cc1noc(C)c1CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 95955861 BNRUZNAHXSWHIQ-UHFFFAOYSA-N 348.384 1.273 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1 95956335 AWCKWILZLVSALN-DLBZAZTESA-N 343.427 1.162 0 40 EDAB C[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)[C@H]1CCCO1 36758212 JMYPGTGHYTWRQG-XHDPSFHLSA-N 338.429 1.306 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2)C1 29192604 SDDGZVJHPSGPGC-CQSZACIVSA-N 348.428 1.026 0 40 EDAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CC(=O)N(CC2CC2)C1 45838760 CMUBHLQVBSIDOQ-VIFPVBQESA-N 343.305 1.591 0 40 EDAB CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 2619964 QRLSEWDANUDZQE-AWEZNQCLSA-N 344.198 1.849 0 40 EDAB Cc1ccc(Nc2nc(N)nc(CN3CCC(C(N)=O)CC3)n2)cc1 54097601 MALCKGFYRIOSSW-UHFFFAOYSA-N 341.419 1.203 0 40 EDAB O=C1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c2ccccc2N1 48364105 PGUUENBJUXQSFP-LBPRGKRZSA-N 327.384 1.763 0 40 EDAB COc1ccc2c(C)c(CC/C(O)=N/S(C)(=O)=O)c(=O)oc2c1 48480359 PQGJTYXAJKSPFM-UHFFFAOYSA-N 339.369 1.959 0 40 EDAB COc1ccc(OC)c(NC(=O)c2cccc(-n3cnnc3)n2)c1 21157270 HRWKEBXOLIMOPM-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB COc1ccc(N(CCCC(=O)N2CCCC2)S(C)(=O)=O)cc1 113961314 NPGXOYRFDDMAPG-UHFFFAOYSA-N 340.445 1.864 0 40 EDAB CNC(=O)CN1CCC(CN(C)Cc2cnc3ccc(C)cn23)CC1 93565136 FLKSIOHAFDKLJL-UHFFFAOYSA-N 343.475 1.533 0 40 EDAB Cc1noc(CCCNC(=O)N2CCO[C@@H](Cc3ccccc3)C2)n1 95463689 FKZQUDQTJIBWNM-INIZCTEOSA-N 344.415 1.964 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCc2csc(C)n2)c1 5151791 KHKMDUCHOUMACF-UHFFFAOYSA-N 328.415 1.947 0 40 EDAB CNCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 6228530 FBVMSNVTYSSACI-UHFFFAOYSA-N 345.852 1.673 0 40 EDAB CCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1ccsc1)N(C)C 65493533 SWIFDUKWLRVFDA-STQMWFEESA-N 341.502 1.779 0 40 EDAB C[C@@H](Cc1c(F)cccc1F)NC(=O)Nc1cnn(CC(N)=O)c1 65422900 FAEFXOKBNRACLF-VIFPVBQESA-N 337.330 1.399 0 40 EDAB CCc1ncc(C(=O)NCCNC(=O)Cc2ccc(F)cc2)s1 65401539 CRUBFXZVIGQQIZ-UHFFFAOYSA-N 335.404 1.933 0 40 EDAB O=C(NCC(F)(F)F)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 65537045 CBNYWQUVNXWUDO-UHFFFAOYSA-N 340.298 1.559 0 40 EDAB COc1ccccc1N(CCC(N)=O)C(=O)COc1ccccc1 14171791 UOAIOQTUPUSQGU-UHFFFAOYSA-N 328.368 1.983 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 14159174 LSDLNZAYDFHOPN-UKRRQHHQSA-N 329.400 1.551 0 40 EDAB Cc1cccn2cc(CC(=O)NCCN3C[C@H](C)O[C@@H](C)C3)nc12 65626528 XLTVUOZACAKAKA-GJZGRUSLSA-N 330.432 1.411 0 40 EDAB Cc1oc(CO)cc1C(=O)OCC(=O)NC(=O)NCc1ccccc1 9365516 OOBVPUROFFGTLU-UHFFFAOYSA-N 346.339 1.263 0 40 EDAB CC[C@@](C)(O)CNC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 66158736 GIKLFGGDIGPHOJ-OAHLLOKOSA-N 341.433 1.410 0 40 EDAB COC(=O)c1cccc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 66241823 YAIQPONTKZWBKK-UHFFFAOYSA-N 330.344 1.010 0 40 EDAB CCN1CCc2ncnc(N3CCN(C(=O)c4ccoc4)CC3)c2C1 65487595 KABPXFZVTISWNY-UHFFFAOYSA-N 341.415 1.410 0 40 EDAB Cn1nnc2cc(C(=O)NC[C@@]3(O)CCCc4ccccc43)ccc21 66930337 BWLUOPHXVHXPDE-IBGZPJMESA-N 336.395 1.922 0 40 EDAB COc1ccc([C@@H](CN2CCN(C)CC2)NCc2c[nH]nc2C)cc1 71792590 HKNASXCPHJQVTG-LJQANCHMSA-N 343.475 1.805 0 40 EDAB CN1CCN([C@H](NC(=O)c2cccs2)C(=O)c2ccccc2)CC1 19866083 BVZYNKAHWMEZPV-KRWDZBQOSA-N 343.452 1.934 0 40 EDAB O=S(=O)(N[C@@H]1C=C[C@H](CO)C1)c1cnn(-c2ccccc2F)c1 95433337 VMKDKIGTCYJDSB-NWDGAFQWSA-N 337.376 1.227 0 40 EDAB Cc1cc([C@H](C)NC(=O)N2CCS(=O)(=O)CC2)cc(C)c1F 96440895 KWVBQOIEJFIRMZ-LBPRGKRZSA-N 328.409 1.944 0 40 EDAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 409393429 WMOQORBRRWINNS-ZDUSSCGKSA-N 342.461 1.975 0 40 EDAB CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 68177184 VTCZZSJBFBQLLS-HZPDHXFCSA-N 332.448 1.604 0 40 EDAB O=C1CSCN1CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71820001 ZHGSGZYCHZUNFX-CYBMUJFWSA-N 340.832 1.773 0 40 EDAB COc1ccc(C(C)=O)cc1CC(=O)NCc1nnc2ccccn12 7779670 IEAJQKNFTRLJPJ-UHFFFAOYSA-N 338.367 1.799 0 40 EDAB CS(=O)(=O)CCN1CCC(NC(=O)NC2CCCCCC2)CC1 69148663 CHSIAHNAHYLULV-UHFFFAOYSA-N 345.509 1.517 0 40 EDAB Fc1cccc(-c2nc(CN3CCO[C@H](Cn4cncn4)C3)co2)c1 71876576 QHBMYQPVYPISPA-INIZCTEOSA-N 343.362 1.973 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN[C@H]1CCc2nc(C(C)C)nn2C1 71871796 OVZQNQSERUMCRP-ZDUSSCGKSA-N 345.451 1.295 0 40 EDAB COc1cccc(CN(C)CC(=O)NC(=O)NC2CCCC2)c1OC 8038523 OVNZXWQXCLSNTF-UHFFFAOYSA-N 349.431 1.904 0 40 EDAB CC[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccccc1OCC(=O)NC 71819900 WXUHXZQXMRFFLV-CQSZACIVSA-N 343.383 1.381 0 40 EDAB CN1C[C@@H](C(=O)NCc2ccc(Br)cc2F)CC1=O 71894371 MWMZSVJSIVXDTB-VIFPVBQESA-N 329.169 1.683 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)NCc1cccc(Br)c1 69104488 CFEDPTATXVKISS-SECBINFHSA-N 328.210 1.773 0 40 EDAB CC(C)S(=O)(=O)[C@@H](C)C(=O)O[C@H]1CCN(C(=O)OC(C)(C)C)C1 71908422 HDRBLLLZVMXHJD-RYUDHWBXSA-N 349.449 1.751 0 40 EDAB Cn1ccc2c(C(=O)NCc3ccc(S(N)(=O)=O)s3)cccc21 69431923 XTNNFFCAGVFOBH-UHFFFAOYSA-N 349.437 1.817 0 40 EDAB CNC(=O)COC(=O)c1scc(C)c1I 225540394 IMIBWUHPTYNSQE-UHFFFAOYSA-N 339.154 1.564 0 40 EDAB CCc1noc([C@H](C)N2CCN(Cc3nc4ncccc4[nH]3)CC2)n1 69418436 CYBXAMVGVRUKMX-LBPRGKRZSA-N 341.419 1.782 0 40 EDAB C[C@@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1cccc(C(N)=O)c1 83966940 AUXXCWLMFBPKBJ-DAOPMYJZSA-N 336.457 1.872 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)c2ccccc21 69653797 KDWWAZWXMXQSIH-CQSZACIVSA-N 348.362 1.012 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1nc(-c3cccnc3)no1)CC2 69661056 FCCCUVDJNHTOMJ-GFCCVEGCSA-N 325.376 1.390 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC(Nc2cccnn2)CC1 69655423 VSCLLJVWRQAFMQ-UHFFFAOYSA-N 326.356 1.922 0 40 EDAB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)N1CCN(CCOC)CC1 69627838 GVEVHWVAFCRLDB-CABCVRRESA-N 337.468 1.445 0 40 EDAB CN1CCO[C@@H](CNC[C@@](C)(O)c2cccc(C(F)(F)F)c2)C1 69626546 KGIOQDLYXYBXCV-LSDHHAIUSA-N 332.366 1.833 0 40 EDAB CNC(=O)[C@@H]1CCCN(C(=O)c2cnc(-c3cnn(C)c3)s2)C1 69707383 WNRYMVXGYWCMAW-SNVBAGLBSA-N 333.417 1.142 0 40 EDAB c1cnnc(N2CCC[C@@H](NCc3nc(-c4ccco4)no3)C2)c1 69921910 BODLNSXDGNSEOW-GFCCVEGCSA-N 326.360 1.878 0 40 EDAB CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(N)=O 8939225 TZZGKLSPRBNSAC-UHFFFAOYSA-N 333.417 1.365 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)N[C@H]1CCc2c(Cl)cccc21 97032325 NQQNEYYQCQZAQW-ZDUSSCGKSA-N 330.837 1.725 0 40 EDAB NS(=O)(=O)c1cnc(N2CCC[C@H](c3nccs3)C2)s1 97047775 WIVXEPAZPKKSDB-QMMMGPOBSA-N 330.460 1.631 0 40 EDAB Cc1nc(CN2CCCN(C(=O)c3cccnc3O)CC2)cs1 72279629 ZYAUFWQDIBCOLO-UHFFFAOYSA-N 332.429 1.900 0 40 EDAB O=C(c1cncn1-c1ccccc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269120 DFFHYRPHWQKUOQ-AEFFLSMTSA-N 340.427 1.544 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(NCc3cnn(C)c3)CC2)cc1 97197997 MBATYCRRTJYZTG-UHFFFAOYSA-N 348.472 1.671 0 40 EDAB O=C1CCc2cc(OCC(=O)N[C@@H]3CCc4nccn4C3)ccc2N1 97197966 PUTXLZCTVPTZKG-CYBMUJFWSA-N 340.383 1.278 0 40 EDAB NC(=O)[C@@H]1CCCN1C(=O)CCc1cc(F)ccc1Br 97107231 XTGVVSDHRRYAQL-LBPRGKRZSA-N 343.196 1.997 0 40 EDAB O=c1[nH]nc(CCCNc2nc(-c3ccncc3)nc3c2CCC3)[nH]1 72307670 JEIXJUMCBXJMLK-UHFFFAOYSA-N 337.387 1.483 0 40 EDAB C[C@H](NC(=O)CCc1ccc(F)cc1F)C(=O)N1CCSCC1 95973021 CSFMPCHISHHBIA-NSHDSACASA-N 342.411 1.978 0 40 EDAB O=C(NCc1nccs1)[C@H]1COCC(=O)N1Cc1ccccc1 89834829 DOIFSZRTUZHXQZ-CYBMUJFWSA-N 331.397 1.187 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 89938523 WCBKWCYJYYWTCZ-ZBFHGGJFSA-N 344.459 1.164 0 40 EDAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nnc2n1CCC2 89913796 IXSRGEAGVYHVEL-VXGBXAGGSA-N 343.387 1.043 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)CNC(=O)c1cc2ccccc2[nH]1 76065923 QHJHWDNQHZTAQX-NSHDSACASA-N 339.399 1.817 0 40 EDAB O=C(CCN1CCC2(CCOCC2)C1)NC(=O)NCc1ccccc1 76177302 KTHAUFREDWEFEC-UHFFFAOYSA-N 345.443 1.905 0 40 EDAB CN(C)CCCn1c(=O)nc(N)c2c3c(sc21)COC(C)(C)C3 40285499 HVLYQUVJSQKBRR-UHFFFAOYSA-N 336.461 1.843 0 40 EDAB O=C(c1cc(C2CC2)on1)N1CCN(C[C@@H](O)c2ccco2)CC1 85436787 JZWDRGPQRRNEFK-CQSZACIVSA-N 331.372 1.636 0 40 EDAB Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(C)c2)cc1 408552314 LRYUEPRCUYBKRR-UHFFFAOYSA-N 325.368 1.997 0 40 EDAB c1cc2nncn2nc1N1CC2(CC[C@@H](CN3CCCCC3)CO2)C1 306123761 AWBABVJFMVUFQF-HNNXBMFYSA-N 342.447 1.596 0 40 EDAB O=C(COC[C@H]1CCOC12CN(C(=O)C1CCC1)C2)N1CCCC1 306132008 KVNMXCUGAUTFOI-OAHLLOKOSA-N 336.432 1.043 0 40 EDAB Cc1noc(-c2ccc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc2)n1 32905846 SIJRAPSLWYZJGW-OAHLLOKOSA-N 335.385 1.352 0 40 EDAB Cc1cc(C)nc(CN(c2ccc(C(=O)O)cc2)S(C)(=O)=O)n1 222557007 JEFRAPMMAXYSQX-UHFFFAOYSA-N 335.385 1.758 0 40 EDAB CCOC(C[C@@H](CO)Cn1cnc2c(Cl)cc(=N)[nH]c21)OCC 504342308 DKLHCFAEMBFQOP-SNVBAGLBSA-N 342.827 1.895 0 40 EDAB CC(C)Oc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)O)cc1 540294551 OFSMJFKUPQYLQJ-UHFFFAOYSA-N 339.373 1.706 0 40 EDAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c1 408672112 ZMPSECGMNSDFCQ-ASZJLXIDSA-N 343.379 1.983 0 40 EDAB C[C@H](NC(=O)c1nccn1C)c1ccc(S(C)(=O)=O)c(F)c1 75503212 YDPBCWGDCVTWIF-VIFPVBQESA-N 325.365 1.454 0 40 EDAB CCOC[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC 218146164 RGFUOFHQFTZYBK-OWCLPIDISA-N 341.429 1.297 0 40 EDAB Cc1ccc(-n2ncc3c2N(CCC(N)=O)C(=O)N2CCN=C32)cc1 72347760 CBSRLJIVQJSMNI-UHFFFAOYSA-N 338.371 1.058 0 40 EDAB COc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CCNCC1(F)F 566573079 XGROBFISZWZJRA-VIFPVBQESA-N 338.351 1.357 0 40 EDAB O=C(c1cnccn1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38729430 IPOCLTMZBVGFNT-HOTGVXAUSA-N 336.395 1.565 0 40 EDAB NC(=O)[C@H]1CCCN(CCCNC(=O)C[C@@H]2CCc3ccccc32)C1 79361721 KKEWOAHSFBNUIX-IRXDYDNUSA-N 343.471 1.810 0 40 EDAB COc1ccc(C[C@@]2(c3ccc(OC)cc3)NC(N)=NC2=O)cc1 71974402 XUFUAMXRMTXFSN-SFHVURJKSA-N 325.368 1.586 0 40 EDAB Cc1ccncc1NC(=O)C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 78554160 ADPACNIZPUNBNG-OKILXGFUSA-N 348.447 1.333 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)C2(CN)CN)cc1 218455179 NXXLAGDSIPPKEW-IAGOWNOFSA-N 348.443 1.978 0 40 EDAB COc1ccccc1-c1c2c(=O)n(CCO)ccc2nc2ncnn12 40398169 JXPWULJGRJJAGV-UHFFFAOYSA-N 337.339 1.107 0 40 EDAB O=C(N[C@H]1CCc2nc[nH]c2C1)[C@H]1CCCN(Cc2cccnc2)C1 564477611 NHYDGEYBRZRFJX-HOTGVXAUSA-N 339.443 1.690 0 40 EDAB O=C(NCCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl 42645903 LZSWNLMBRNDKFF-UHFFFAOYSA-N 346.214 1.380 0 40 EDAB Cc1noc(C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 40714658 MLMHTHCFUSKUAH-HNNXBMFYSA-N 329.356 1.924 0 40 EDAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)N1CCn2cnnc2C1 135684516 DQGNOGRMCSNFSM-AWEZNQCLSA-N 341.415 1.932 0 40 EDAB Cc1nn(C)c(N2CCN(c3nc(C(C)(C)C)ns3)CC2)c1N 225515538 LYEPFMAJAMDGSJ-UHFFFAOYSA-N 335.481 1.786 0 40 EDAB C[C@H](NC(=O)N[C@@H]1C(=O)NCC[C@@H]1C)c1cn(-c2ccccc2)nn1 193914162 SXEQDRGIVYRXCO-HUBLWGQQSA-N 342.403 1.152 0 40 EDAB C[C@@]12CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 575964707 ASWFANLGXCKTGY-CXUGXGMPSA-N 332.425 1.618 0 40 EDAB O=C1CCN(CC(=O)N2CC=C(c3c(F)cccc3F)CC2)C(=O)N1 332543415 LWRROWFLEBRONC-UHFFFAOYSA-N 349.337 1.522 0 40 EDAB Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H](N(C)C)C2)nn1C 577171075 FUHDNDPPESHQPF-HOCLYGCPSA-N 349.479 1.036 0 40 EDAB COc1ccc(CN2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)cc1 96184542 GVVJQPNKZZLSOI-MSOLQXFVSA-N 340.427 1.918 0 40 EDAB CN(C)c1ncc(CNC(=O)[C@H]2C[C@]23CCOc2ccccc23)n1C 332906023 ZBPDXHHGMLUWNP-BEFAXECRSA-N 340.427 1.843 0 40 EDAB Cc1cccc(C(=O)N2CCc3ncnc([C@H]4CCOC4)c3CC2)n1 96058674 OUNZLZAEECEOGP-AWEZNQCLSA-N 338.411 1.925 0 40 EDAB Cc1nc2ncccc2c(=O)n1CCNC(=O)c1ccccc1F 95475735 RKMOERXDCQMGQY-UHFFFAOYSA-N 326.331 1.669 0 40 EDAB COc1ccc(CC(=O)N2CCN3C[C@H](OCC4CC4)C[C@H]3C2)cc1 96183318 JMUGQCBVGKWBKD-PKOBYXMFSA-N 344.455 1.949 0 40 EDAB CC[C@@]1(c2ccc(NC(=O)C(C)(C)C(=O)O)cc2)CCC(=O)NC1=O 583205861 FHZRCZXUKOZVIC-SFHVURJKSA-N 346.383 1.820 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 96481215 IERCRIZCSOLRAB-HNNXBMFYSA-N 337.851 1.998 0 40 EDAB Cc1cc([C@](C)(O)CNS(=O)(=O)c2c[nH]c(C(C)C)n2)c(C)o1 96483547 KRPLOZCCQOYBQV-OAHLLOKOSA-N 341.433 1.929 0 40 EDAB CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)NC(C)(C)C 96113002 OINNRSOCHLZRFF-JKSUJKDBSA-N 347.459 1.861 0 40 EDAB biogenic,in-vitro O=C(CC1CC1)NCc1cn2c(n1)CN(C(=O)c1ccccn1)CC2 96059455 XMJOECOJMJIJOY-UHFFFAOYSA-N 339.399 1.350 0 40 EDAB COc1cccc(CN2CC[C@@]3(CCN([C@@H]4CCOC4)C3)C2=O)c1 96159813 IIKXAPGKNNKPAZ-APWZRJJASA-N 330.428 1.909 0 40 EDAB CN1CCCC[C@H]1CN1CCN(C[C@@H](O)COC(C)(C)C)CC1 96407746 ZZJUPGCPVMTALJ-DLBZAZTESA-N 327.513 1.264 0 40 EDAB CCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(C)[C@H]2CC1 96145715 WTPAMYVDYIPUQU-STQMWFEESA-N 338.429 1.469 0 40 EDAB COc1cc(N2CCO[C@H]3CC[C@H]2[C@@H]3OCc2cccnc2)ncn1 247845168 MHMUYPIVVHOCGJ-MPGHIAIKSA-N 342.399 1.833 0 40 EDAB Cn1nc(C(=O)N[C@@H]2CC=CCC2)c(O)c1C(=O)N[C@@H]1CC=CCC1 252509148 YDIGSFALVUYTOY-CHWSQXEVSA-N 344.415 1.803 0 40 EDAB CN(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)ccn1 257234516 GTVUNKIYPVBZOM-ZDUSSCGKSA-N 335.433 1.407 0 40 EDAB Cc1nc([C@H]2CN(C3CCOCC3)CCO2)cc(N2CCOCC2)n1 257312285 UNERAGWCXQSRTN-QGZVFWFLSA-N 348.447 1.174 0 40 EDAB CC(C)[C@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1nc(C2CC2)no1 252485850 BCQLRLXTZIVRMV-JMSVASOKSA-N 336.436 1.870 0 40 EDAB COc1cc(Br)cc(N2CCN3C(=O)OCC[C@@H]3C2)n1 585118511 RTDMTQGCAIPQKJ-SNVBAGLBSA-N 342.193 1.884 0 40 EDAB CCOC(=O)[C@@H](NC(=O)c1cccc(OC)c1)[C@H](O)c1ccncc1 585128897 QFVKOGCNANBIFC-JKSUJKDBSA-N 344.367 1.485 0 40 EDAB COC(=O)c1cc(-c2noc(CCn3c(C)csc3=O)n2)cn1C 585120414 LZSQDRAGBXVTIK-UHFFFAOYSA-N 348.384 1.636 0 40 EDAB Cc1nccc(CN2CCC[C@@H](Cc3[nH]ncc3S(C)(=O)=O)C2)n1 257227626 FQEPTFASRCMINX-ZDUSSCGKSA-N 349.460 1.366 0 40 EDAB CC(=O)N1CCC[C@@H]1c1nc(C)ncc1CNC(=O)c1ccccn1 257280470 OLAKTPFFIJAGQD-MRXNPFEDSA-N 339.399 1.793 0 40 EDAB CCN(CC)S(=O)(=O)N1CCNC[C@H]1c1ccc(OC)cc1 257283832 PAATUIOFCQUGHL-HNNXBMFYSA-N 327.450 1.228 0 40 EDAB O=C(c1cccc2ncccc12)N1CC[C@@](O)(CN2CCOCC2)C1 257339436 ZBSLCUDQEVBJGF-LJQANCHMSA-N 341.411 1.144 0 40 EDAB COC[C@@H]1CN(Cc2noc(C(C)(C)C)n2)C[C@H]1c1cnn(C)c1 585655519 FRHJFKRBBXCGQN-KBPBESRZSA-N 333.436 1.963 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257332562 XXVYPYIWWPNBDS-LBPRGKRZSA-N 339.442 1.917 0 40 EDAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc3[nH]cnc3c2)[C@H]1O 257221500 DPIGFWMYONJZLL-DJIMGWMZSA-N 339.399 1.952 0 40 EDAB O=C(c1cncs1)N1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 257213730 CIWFZVHWXVUAQY-ZIAGYGMSSA-N 343.408 1.395 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2nc(O)c3c(n2)NCCC3)CC1 257197977 OXPZODBSETWRNP-UHFFFAOYSA-N 335.408 1.597 0 40 EDAB O=C(O)[C@H]1CC12CCN(C(=O)CN1Cc3ccccc3C1=O)CC2 262458808 QJUAUBFZMSVLAZ-CQSZACIVSA-N 328.368 1.356 0 40 EDAB O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCC[C@@H]1c1ccn[nH]1 278537730 FPLBEQMZWWVBRJ-DZGCQCFKSA-N 328.372 1.950 0 40 EDAB CN1C(=O)CC[C@@H](NC(=O)NC2CCCCC2)[C@@H]1c1ccnn1C 285196882 WGVYANXDGNYBPZ-CZUORRHYSA-N 333.436 1.714 0 40 EDAB COC(=O)[C@@H]1CCc2nnc(-c3cccc(S(C)(=O)=O)c3)n2C1 601043734 AWPCMUIVYBTFIY-LLVKDONJSA-N 335.385 1.084 0 40 EDAB O=C(c1ccon1)N1CCOC[C@@](O)(COc2cccc(F)c2)C1 585269090 JXFBFCJZFYUGFS-MRXNPFEDSA-N 336.319 1.096 0 40 EDAB CO[C@H]1CCCN(C(=O)CCc2cc(Cl)no2)[C@H]1CCC(N)=O 585278724 RHZZALISUSBXHJ-RYUDHWBXSA-N 343.811 1.532 0 40 EDAB COCCN1C[C@@]2(COCCN(Cc3ccc(OC)cc3)C2)CC1=O 585105013 YOZMXAPATGJVJS-LJQANCHMSA-N 348.443 1.393 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)CCc2cnn(C)c2)C1 585276100 JUQAZDVJYNHBCI-IBGZPJMESA-N 343.427 1.704 0 40 EDAB Cc1noc([C@@H](C)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 69413687 PUZAJADKWFOOQN-IUODEOHRSA-N 329.404 1.283 0 40 EDAB c1nc2n(n1)C[C@H](NCc1c[nH]nc1-c1ccc3c(c1)OCO3)CC2 69459832 BMYJKVPIASCQFV-CYBMUJFWSA-N 338.371 1.502 0 40 EDAB CC(=O)NCCCNC(=O)c1cc(Cl)c2c(c1)OCCCO2 31242572 DZGRUZHAZUOTNU-UHFFFAOYSA-N 326.780 1.757 0 40 EDAB O[C@H](CN1CCOCC1)Cn1c(-c2cscn2)nc2ccccc21 44894882 OCSVKUTVLJOKAB-CYBMUJFWSA-N 344.440 1.853 0 40 EDAB Cc1nnc(NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)s1 40526527 RBTYFOIOOFCBIE-UHFFFAOYSA-N 347.448 1.315 0 40 EDAB O=C1CSc2ccc(C(=O)NCCNc3ncccn3)cc2N1 40535581 WRBVOJQKOBFZGD-UHFFFAOYSA-N 329.385 1.363 0 40 EDAB C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cnn(C)c2)C(=O)N1c1ccccc1 74780181 MTEKKSPVGKXROP-CZUORRHYSA-N 341.415 1.756 0 40 EDAB Cc1noc(C)c1C[C@@H](C)NC(=O)NCCNC(=O)C1CCCC1 76018527 XKXMBCGIJGQIQI-LLVKDONJSA-N 336.436 1.828 0 40 EDAB CCN(CC)CCN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)NC1 70905639 NGRCTKIJQCLQDP-KRWDZBQOSA-N 331.460 1.883 0 40 EDAB Cc1nn(C)cc1C(=O)N[C@H](Cn1nnc2ccccc21)C(C)C 12141903 YBRRYAAFTUDLFM-OAHLLOKOSA-N 326.404 1.928 0 40 EDAB CN1CCC(CNC(=O)C2(c3ccccc3F)CC2)(N(C)C)CC1 12192652 JHPRBFYSILTWOU-UHFFFAOYSA-N 333.451 2.000 0 40 EDAB CCOC(=O)c1oc2ccc(S(=O)(=O)NCC(=O)O)cc2c1C 19943941 GRQJHGPAWIOERU-UHFFFAOYSA-N 341.341 1.281 0 40 EDAB COc1cncc(O[C@H]2CCCN(C(=O)c3c(C)nn(C)c3C)C2)n1 225500441 IMXVGMPSRZFWEN-ZDUSSCGKSA-N 345.403 1.519 0 40 EDAB O=C(NC[C@H]1CCCO1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374293 ONKBFRNXKVIWHD-TZMCWYRMSA-N 337.807 1.924 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCC(N2CC[C@@H](O)C2)CC1 244975023 HYCCIOQGAKVQJI-CQSZACIVSA-N 326.400 1.301 0 40 EDAB Cc1nnsc1C(=O)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 245108398 SVQRZXPEIXZOAB-XYPYZODXSA-N 337.380 1.896 0 40 EDAB COc1nc(CNC(=O)c2c(C)noc2C)nc(N2CCCCC2)n1 575603762 KHYUJGBAZDGZDB-UHFFFAOYSA-N 346.391 1.405 0 40 EDAB COCCOc1cccc(C(=O)NCC[S@@](=O)C(F)(F)F)c1 585130733 APHWQORRBRSQCQ-JOCHJYFZSA-N 339.335 1.710 0 40 EDAB Cn1ncc2c(N3CCN(Cc4ccccc4F)CC3)ncnc21 12486052 IGQVGANRPWQVSO-UHFFFAOYSA-N 326.379 1.825 0 40 EDAB Cc1ccnc(N2C[C@H]3CN(C(=O)NC4CCOCC4)C[C@H]3C2)n1 1888843720 YENAWGVFGSSMHJ-OKILXGFUSA-N 331.420 1.042 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2)cc1C 1259170341 SIKHAMLGVMWULW-HNNXBMFYSA-N 338.473 1.835 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)ncnc21 23463005 JFVRHBRCRSACLO-UHFFFAOYSA-N 345.794 1.307 0 40 EDAB COc1ccc(C)cc1C(=O)N1CCCN(S(C)(=O)=O)CC1 24778661 RJMCIWRUHGFFGL-UHFFFAOYSA-N 326.418 1.111 0 40 EDAB C[C@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)c1ccncc1 42127440 DOIMZLPHZIBWGH-NSHDSACASA-N 347.806 1.853 0 40 EDAB Cc1cc(C)nc(N2CCOC[C@@]3(CC(=O)N(CC(C)C)C3)C2)n1 1614946454 GDSLIRXSFGGWBF-SFHVURJKSA-N 332.448 1.805 0 40 EDAB CN(C)C(=O)NC1CC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1 1565545796 OVOWOHPVPFZBTF-UHFFFAOYSA-N 332.448 1.990 0 40 EDAB O=C(NCCc1ccccc1)NCc1nnnn1-c1ccc(F)cc1 9616567 IMBORDKVILUQDG-UHFFFAOYSA-N 340.362 1.843 0 40 EDAB O=C(Cn1c(CO)cnc1SCCc1ccccc1)NC1CC1 9827508 ZBZIJRSZGCRMOC-UHFFFAOYSA-N 331.441 1.989 0 40 EDAB Cc1cnc2c(c1SCc1cccnc1)c(=O)n(C)c(=O)n2C 10216452 TZOWLVZHWLZAFR-UHFFFAOYSA-N 328.397 1.628 0 40 EDAB O[C@@H]1CCN(Cc2noc3c2C[C@H](NCc2nccs2)CC3)C1 2055730263 SAZMJRFWODNVHX-VXGBXAGGSA-N 334.445 1.345 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(Cc2cn[nH]c2)C[C@H]2OCC[C@H]21 2055772933 ZRWARBIINQUGHS-ARFHVFGLSA-N 330.388 1.156 0 40 EDAB c1ccc(CN[C@@H]2CCc3onc(CN4CCOCC4)c3C2)nc1 2055730293 VSCDYGCYNLJNHO-CQSZACIVSA-N 328.416 1.549 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2ccccc2C)CC1 2055746381 WBGFNODKOZTXSJ-UHFFFAOYSA-N 341.459 1.921 0 40 EDAB CCOc1ncc(NS(=O)(=O)c2cccs2)c(N(C)C)n1 206730754 RRGLOZVMQTUERW-UHFFFAOYSA-N 328.419 1.804 0 40 EDAB CCNC(=O)c1nsc(C(=O)NCc2ccc(OCC)cc2)c1N 49006220 FONWYNFEPZDERS-UHFFFAOYSA-N 348.428 1.804 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCCn1ccnc1-c1cnccn1 575609583 NFZFLOLDAQHFGO-CQSZACIVSA-N 337.383 1.924 0 40 EDAB CCCCc1noc(Cn2nnn(-c3ccccc3Cl)c2=O)n1 29617166 AUXBNYCOVNNGTM-UHFFFAOYSA-N 334.767 1.856 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 31401723 PPVUJNBVSSLRAJ-LBPRGKRZSA-N 348.838 1.748 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCCCN3CCCCCC3=O)nc2n1 40474249 DPUINQJBRPQIRM-UHFFFAOYSA-N 344.419 1.264 0 40 EDAB O=C1CCCN1c1nc(CC(=O)N2CCO[C@H]3CCCC[C@H]32)cs1 40553906 JMNZMKXEZPOBIA-KGLIPLIRSA-N 349.456 1.982 0 40 EDAB Cc1ccc(/C=c2\s/c(=C\C(=O)c3ccncc3)[nH]c2=O)s1 103018497 HSDJJYIIPQSOMS-SFGFDRCGSA-N 328.418 1.694 0 40 EDAB CN(CCOc1ccccc1Cl)C(=O)N[C@H]1CCS(=O)(=O)C1 53508144 LTIAAIGLNVSEIV-NSHDSACASA-N 346.836 1.547 0 40 EDAB CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 41944 SBXRKRORTVPYBD-UHFFFAOYSA-N 333.779 1.191 0 40 EDAB Cc1cc(CNC(=O)[C@H]2CSCN2C(=O)c2ccccc2)on1 61623503 FZWYBLSSUUOWKA-CQSZACIVSA-N 331.397 1.815 0 40 EDAB CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccco1)N1CCOCC1 54456387 FOZXIISORYTBEI-CQSZACIVSA-N 349.431 1.111 0 40 EDAB CCOc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1 23641724 ONJGENPLXVWQGB-UHFFFAOYSA-N 342.461 1.474 0 40 EDAB Nc1nsc(N2CCN(c3ncnc4cccc(F)c34)CC2)n1 79061729 TVWWSIXMYSCLKY-UHFFFAOYSA-N 331.380 1.529 0 40 EDAB COCc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1 24678032 QMMAYPDMHBSKFJ-OAHLLOKOSA-N 340.445 1.377 0 40 EDAB CN(Cc1cnn(-c2ccccc2)n1)C(=O)NCCn1ccnc1 43311209 NAGODKHEOJPFAW-UHFFFAOYSA-N 325.376 1.305 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1-n1cnnn1 55601829 WNXAPQJJDGYAIB-UHFFFAOYSA-N 333.348 1.911 0 40 EDAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCN(CC2CC2)CC1 55672836 JBNFTHNQXLOXRK-UHFFFAOYSA-N 338.411 1.400 0 40 EDAB CCCOc1ccc([C@@H](C)N[C@H](C)C(=O)NC(=O)NC)cc1OC 56161889 BPUSGUHITLLMLI-VXGBXAGGSA-N 337.420 1.979 0 40 EDAB COC(=O)c1cccc(NC(=O)Cn2cnc3ccsc3c2=O)c1 26019276 TXBPWTDBEOTMOY-UHFFFAOYSA-N 343.364 1.883 0 40 EDAB NC(=O)[C@H]1CN(c2ncnc3scc(-c4ccccc4)c23)CCN1 57420783 LXKQORYRGBZEKH-CYBMUJFWSA-N 339.424 1.622 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCOCC1 52410412 QNSVBQAKFHBRPR-CYBMUJFWSA-N 348.424 1.365 0 40 EDAB CNC(=O)C1(NC(=O)c2cccc(N3CCNC3=O)c2)CCCCC1 58296641 XTMHKVCREDSNSB-UHFFFAOYSA-N 344.415 1.395 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cnn(C)c2)n1 44952635 VONAAVRPKHCJOM-LBPRGKRZSA-N 333.417 1.236 0 40 EDAB C[C@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)[C@H](C)CO1 44909489 VRXCGZQUMRDHMO-NEPJUHHUSA-N 338.429 1.258 0 40 EDAB CNC(=O)COc1cccc(CNC[C@@H]2CNc3cc(C)nn3C2)c1 58326293 UDQREKGIAWNAMZ-OAHLLOKOSA-N 343.431 1.148 0 40 EDAB O=C(NO[C@H]1CCCCO1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 58419872 XZYZSMOBXBCELJ-KGLIPLIRSA-N 325.409 1.489 0 40 EDAB CC(C)N(C)S(=O)(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 58561280 GCXVFJLRSVNEKG-ZDUSSCGKSA-N 341.481 1.726 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2cccc(F)c2)C1 45608188 YCMVEMSWKIHBSV-CYBMUJFWSA-N 329.397 1.049 0 40 EDAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCCNC(C)=O)c1 11436498 ATJRYFUMYXRQKG-INIZCTEOSA-N 349.431 1.093 0 40 EDAB O=C1NCCCC[C@@H]1Sc1nnc(NC[C@@H]2CCCO2)s1 11496784 SGTPEOWYXXQNPO-UWVGGRQHSA-N 328.463 1.890 0 40 EDAB CC(C)OCCCNC(=O)CCc1ccc(S(N)(=O)=O)cc1 21780014 TZGTZPQZRIUKDY-UHFFFAOYSA-N 328.434 1.198 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cnn(Cc2ccccc2)c1 84544701 UTFQVBLVAZLKGQ-AWEZNQCLSA-N 333.413 1.695 0 40 EDAB COCc1nc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)cs1 84597412 HRHVLKLSGFLBQW-HNNXBMFYSA-N 338.433 1.194 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1 29206941 GDNCRVQJNBJJPY-NPQIQWPPSA-N 326.393 1.379 0 40 EDAB Cc1cccc(OCCNC(=O)CN(C)c2ncnc3[nH]cnc23)c1 45979089 MZYGRHGDCSXNIK-UHFFFAOYSA-N 340.387 1.293 0 40 EDAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]1Cc1ccccc1 2560888 CUVKAUWOMPJEMI-QZTJIDSGSA-N 333.391 1.936 0 40 EDAB biogenic,in-vitro O=C(COC(=O)[C@@H]1COCCO1)NCC1(c2ccccc2)CCC1 46309468 RKIVRTRSHKEJQU-HNNXBMFYSA-N 333.384 1.183 0 40 EDAB CC(C)c1cc(C(=O)NN2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cs1 102211523 VCCBENNLQWTAGS-UKJIMTQDSA-N 334.397 1.679 0 40 EDAB Cc1ccc(NC(=O)C2CCN(C(=O)c3cnc(C)cn3)CC2)nc1 46808421 TUAFLIXVJSPBAZ-UHFFFAOYSA-N 339.399 1.979 0 40 EDAB C[C@H](NC(=O)NCCCNS(C)(=O)=O)c1ccc(Cl)cc1 48275311 AUSKDMIDIAWCMG-JTQLQIEISA-N 333.841 1.640 0 40 EDAB O=C(NCCCn1cncn1)c1ccccc1OC[C@H]1CCCO1 48288873 DCASWBNELCJFLL-CQSZACIVSA-N 330.388 1.656 0 40 EDAB CNC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1 3355830 FXAOKGFYEAYLIK-UHFFFAOYSA-N 329.385 1.820 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(c2nccc(N3CCCC3)n2)CC1 95396563 JOEXEIQOMVRTAW-HNNXBMFYSA-N 346.479 1.112 0 40 EDAB O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NCC1(O)CCC1 95399585 IRCYEBSVZCVVPG-QGZVFWFLSA-N 331.460 1.765 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)NCc2cccc(C)c2)ccc1OC 113944763 PVAUGNAKOTUCPH-UHFFFAOYSA-N 348.424 1.842 0 40 EDAB O=C(NC1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9155733 OYXNIJOSFUSBHW-UHFFFAOYSA-N 349.456 1.354 0 40 EDAB COc1ccc(OCC(=O)Nc2cnccc2C(=O)O)cc1OC 49131974 ORBDYODBBSIHAI-UHFFFAOYSA-N 332.312 1.815 0 40 EDAB in-vitro CC[C@H](C)[C@@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 96007690 BWYOOKXQVRTMRE-WPRPVWTQSA-N 326.340 1.786 0 40 EDAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2cccc(O)c2)N1CCO 13718755 GELCIDYIKMWDBA-RDJZCZTQSA-N 349.408 1.034 0 40 EDAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2cnn(CC(N)=O)c2)c1 65423041 XHNHOAMHESPFOI-JTQLQIEISA-N 347.375 1.268 0 40 EDAB CS(=O)(=O)CCN1CCN(C(=O)CCCc2ccccc2)CC1 65495837 MVEQRMJTWQVQPE-UHFFFAOYSA-N 338.473 1.198 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNCc1ccnc(N(C)C)c1 65537564 VSBQAPBTBQESES-UHFFFAOYSA-N 344.463 1.316 0 40 EDAB COc1ccc(-c2cnc(CCC(=O)N3CCS(=O)CC3)o2)cc1 65515265 SPYUDLQCQCPHIV-UHFFFAOYSA-N 348.424 1.874 0 40 EDAB c1cc2nnnn2nc1Sc1nnc(NC[C@H]2CCCO2)s1 14135841 LSLLLWCBMFZVGK-SSDOTTSWSA-N 336.406 1.113 0 40 EDAB O=C(c1occc1CN1CCOCC1)N1CCC[C@H](n2cccn2)C1 65608542 ZWINAFBQWQWNJS-INIZCTEOSA-N 344.415 1.786 0 40 EDAB COCCN1CCC[C@@H]1CNS(=O)(=O)N(C)C1CCCCC1 65610719 AHXQSPBPIAMGOP-OAHLLOKOSA-N 333.498 1.196 0 40 EDAB Cc1cccnc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 9322747 GAOQROZHGHDXNT-PXAZEXFGSA-N 330.388 1.829 0 40 EDAB O=C(c1cc2ccccc2o1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 6558124 OYZWMYLDGZSZBL-HNNXBMFYSA-N 328.368 1.896 0 40 EDAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)c3ccc[nH]3)CC2)C1 66420950 MRSVDGDFHZEXLM-HUUCEWRRSA-N 332.448 1.467 0 40 EDAB COc1cc(Cl)ccc1C(=O)NCCNC(=O)c1cccnc1 67052900 VPSSOMWERSULRK-UHFFFAOYSA-N 333.775 1.903 0 40 EDAB O=C(CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O)Nc1nccs1 9420645 MMXMFRWGRHYTBD-JTQLQIEISA-N 334.357 1.780 0 40 EDAB Cc1cc2c(cc1NS(C)(=O)=O)c1c(n2S(C)(=O)=O)CCC1 4945010 XPKVVZMDGLYFBI-UHFFFAOYSA-N 342.442 1.618 0 40 EDAB Cc1cc(C)n(CCN2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)n1 95402307 KYNISVYUYQONLB-MRXNPFEDSA-N 344.463 1.967 0 40 EDAB COCCOc1ncccc1NC(=O)N1CCC(n2cncn2)CC1 71795644 CUWGRBBNNSAUEG-UHFFFAOYSA-N 346.391 1.567 0 40 EDAB Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)[nH]n1 67726063 BSZAXAWFXTZOGQ-UHFFFAOYSA-N 341.415 1.748 0 40 EDAB O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@@H]1Cc2cc(F)ccc2O1 96418236 DSEQKJCEMVTMNO-HOCLYGCPSA-N 342.374 1.704 0 40 EDAB CCn1c(CN2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 7503538 SZNDTVNPNRACBN-UHFFFAOYSA-N 336.461 1.902 0 40 EDAB CCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O 7528358 LBFNWTYTXWGKLG-UHFFFAOYSA-N 331.372 1.823 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(Cc3ccsc3)CC2)cn1 71841299 PUGDQHYDVGJKQH-HZPDHXFCSA-N 330.457 1.930 0 40 EDAB NC(=O)[C@H](CNC(=O)COc1cccc(F)c1)Cc1ccc(F)cc1 71826892 ADCVCBSHVXURRM-ZDUSSCGKSA-N 348.349 1.804 0 40 EDAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(C[C@@H](C)O)CC1 71871164 DKFXMHVSBGUDGU-CQSZACIVSA-N 341.455 1.919 0 40 EDAB O=C(c1cnn(Cc2ccccc2)c1)N1CCN(c2ncccn2)CC1 8134768 IGHZPATZMXZLIF-UHFFFAOYSA-N 348.410 1.684 0 40 EDAB Cn1cnnc1CCNC(=O)c1cc(F)cc(Br)c1 71847188 HHPZUAHJVAKOSL-UHFFFAOYSA-N 327.157 1.689 0 40 EDAB Cc1ccc(OCC(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)cc1C 70013231 ZIPKWGLYIPFZLN-KRWDZBQOSA-N 345.487 1.967 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)C1 70039760 DYACJVYMBJPFHW-MCIONIFRSA-N 327.454 1.138 0 40 EDAB COC(=O)CNC(=O)c1ccc(Cn2cc(Br)cn2)o1 69351732 QMNAFBZRHYMURH-UHFFFAOYSA-N 342.149 1.190 0 40 EDAB Cc1ccc(OCCC(=O)N2CCN(Cc3noc(C)n3)CC2)cc1 71900246 CHMXTVOJWHOJQK-UHFFFAOYSA-N 344.415 1.800 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2[C@@H](C)C(=O)Nc2ncccn2)n1 69569654 FJILUOLOCINMEA-SMDDNHRTSA-N 329.408 1.177 0 40 EDAB NC(=O)[C@H](NC(=O)[C@@H]1CCCO1)c1cccc(Br)c1 69584298 IODGHMPGYMVSMF-WDEREUQCSA-N 327.178 1.271 0 40 EDAB C[C@H]1CN(c2ccc(NS(=O)(=O)c3cccnc3)cn2)C[C@@H](C)O1 69600555 XFVYYQJWTOJDHM-BETUJISGSA-N 348.428 1.891 0 40 EDAB Cc1ccc(NCCNC(=O)C2=NO[C@H](c3ccccc3)C2)nn1 69628842 URIQCYQYKQRBOC-HNNXBMFYSA-N 325.372 1.831 0 40 EDAB COc1ccccc1CNC(=O)[C@H](C)N1CCn2c(C)nnc2C1 69779882 IRGZSBRFGMFCSR-LBPRGKRZSA-N 329.404 1.116 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C(=O)[C@@]1(C)CC1(Cl)Cl)C1CC1 71904476 FTBBKHVUPNTMDU-GZMMTYOYSA-N 328.261 1.994 0 40 EDAB Cc1ccc(CNC(=O)c2cn(C(=O)c3cc(C)n[nH]3)nc2N)cc1 71924281 UAXABONTNPZVOZ-UHFFFAOYSA-N 338.371 1.424 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 69893779 RVHOFGONTCFLTN-OCCSQVGLSA-N 338.835 1.416 0 40 EDAB Cc1nnc2ccc(N3CCN(C[C@@H](O)c4ccccc4)CC3)nn12 69816024 IJGYUZXAMLHVNU-MRXNPFEDSA-N 338.415 1.288 0 40 EDAB O=C(c1cnccn1)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 69814737 HBGMCYGFFZXJIL-UHFFFAOYSA-N 348.410 1.620 0 40 EDAB O=S(=O)(NC[C@H]1CCOC1)c1ccc(Br)cc1F 97096062 SMCMJPWPCOTSDE-MRVPVSSYSA-N 338.198 1.903 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c(C)c1 97048163 BZNDUZMNWIMCAN-OAHLLOKOSA-N 334.445 1.996 0 40 EDAB C[C@H](Nc1ncnc2c1cnn2CCO)c1ccc2c(c1)OCO2 97199847 OXCXDYSPIKBOPZ-JTQLQIEISA-N 327.344 1.720 0 40 EDAB CC1(C)CN(C(=O)c2cccc(N3CCCC3=O)c2)CC[S@@]1=O 88205566 ZPJMGVFJKPPKEI-HSZRJFAPSA-N 334.441 1.797 0 40 EDAB CNc1ncc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)s1 95978274 UJQXZBOUFPOYDN-AWEZNQCLSA-N 346.456 1.988 0 40 EDAB Cc1nn(C)c(C)c1CCCNC(=O)c1ccc(-n2cnnc2)cc1 95986142 DKXRWBCKYFRQDI-UHFFFAOYSA-N 338.415 1.980 0 40 EDAB CCN1CCO[C@H](C(=O)N(C)CCCc2nc3ccccc3[nH]2)C1 74349515 ALBNOEJBLCGMDI-INIZCTEOSA-N 330.432 1.675 0 40 EDAB CCc1n[nH]c(S(=O)(=O)[C@H](C)C(=O)NCC2CCCCC2)n1 86170640 HCIYABJNPMSMTL-SNVBAGLBSA-N 328.438 1.226 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H]1CNC(=O)N1 89520901 IWCZKHBNFXNKAF-OAHLLOKOSA-N 327.388 1.129 0 40 EDAB Cc1nnc(NC(=O)CN2CCC[C@H]2c2c(C)nn(C)c2C)s1 75132363 RSLWWFFBIJEYDT-LBPRGKRZSA-N 334.449 1.972 0 40 EDAB COc1ncccc1C(=O)N1CCCN(c2ccc(C)nn2)CC1 89652350 IYISMAVDBFJKCD-UHFFFAOYSA-N 327.388 1.541 0 40 EDAB Cc1cc(CN2CCC[C@@H]([C@@]3(C)NC(=O)N(C(C)C)C3=O)C2)no1 89604797 MMVCZGVEWJQJSA-CXAGYDPISA-N 334.420 1.914 0 40 EDAB NC(=O)[C@H]1CN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CCO1 89764387 UWBJQUZIWWGKKM-SNVBAGLBSA-N 343.170 1.734 0 40 EDAB C[C@H](CNC(=O)N1CCS(=O)(=O)C[C@H]1C)Sc1ccccc1 75805089 VJMICBPPWMBTHD-CHWSQXEVSA-N 342.486 1.996 0 40 EDAB CNC(=O)c1cccc(C(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)c1 1548979661 UPAJVIFXISDZJH-ZIAGYGMSSA-N 328.372 1.372 0 40 EDAB Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCCOC1 547697902 RMPQSLQLLOYFBL-SNPRPXQTSA-N 325.384 1.438 0 40 EDAB CC1CCN(S(=O)(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1 408722976 YQNFKSRPQDUEAE-UHFFFAOYSA-N 336.413 1.761 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 409000387 WCGIFNNZZXMPOF-UTUOFQBUSA-N 327.425 1.450 0 40 EDAB O=C(O)c1sccc1S(=O)(=O)NCCOc1ccc(F)cc1 557744707 XEOWQIPLHZITTG-UHFFFAOYSA-N 345.373 1.943 0 40 EDAB CCCn1nc2c(cc1=O)CN(CC[S@@](=O)c1ccccc1)CC2 76064562 GPGPVMGZQRWPID-DEOSSOPVSA-N 345.468 1.819 0 40 EDAB CCn1c(NCCCn2nc(C)cc2C)nc2c(C)nn(C)c2c1=O 32651967 HHSAWPUYGDVUDM-UHFFFAOYSA-N 343.435 1.774 0 40 EDAB CC(C)(CNc1ncc(Br)cn1)N1CCS(=O)CC1 78297839 PMBJRNOWRMMELR-UHFFFAOYSA-N 347.282 1.494 0 40 EDAB Cc1cc(N2CCC[C@H](c3ncc(C(=O)N(C)C)c(C)n3)C2)ncn1 72378165 PAWBEOQPZRBQAX-AWEZNQCLSA-N 340.431 1.969 0 40 EDAB O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc3nncn3n2)CC1 38510308 SKCNFVYKEHVENS-UHFFFAOYSA-N 344.325 1.365 0 40 EDAB CNCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3cnccn3)n2)C1 72360915 ZKAZMLWDQDWBQU-ZDUSSCGKSA-N 341.419 1.244 0 40 EDAB CC1(C)CN(S(=O)(=O)c2ccc(C3CC3)cc2)[C@H](C(=O)O)CO1 562982376 JTSLINQKPMGYLU-AWEZNQCLSA-N 339.413 1.817 0 40 EDAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1cc(C(=O)O)co1 526950796 IOVXWOXDKAOXNR-UHFFFAOYSA-N 341.389 1.851 0 40 EDAB O=S(=O)(NCc1cnn2c1CCCC2)c1c(F)cccc1F 225612784 DMPVKUQXAYYMHX-UHFFFAOYSA-N 327.356 1.976 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CC[C@H](Oc2cnccn2)C1 225793373 HYZLIXHOJPPXBL-SWLSCSKDSA-N 327.340 1.296 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCC(c2ccc(F)c(F)c2)CC1 83607499 XLKIKYUBCOXZEA-UHFFFAOYSA-N 332.372 1.220 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCCc2c1cnn2C 87059048 ZVIQHPDUUOBDBP-QWHCGFSZSA-N 343.435 1.786 0 40 EDAB Cn1ccnc1N1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 84331656 IXLDRMXSWIZSQE-UHFFFAOYSA-N 342.428 1.834 0 40 EDAB COc1ccc(C(=O)NCc2nccc(N3CCOCC3)n2)cc1 224168320 JPQREPQMBKGZSK-UHFFFAOYSA-N 328.372 1.252 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)COc2ccc3c(c2)OCO3)CC1 223204777 OXKRIZINUOBUFZ-UHFFFAOYSA-N 348.399 1.557 0 40 EDAB COc1cc(N2CC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)ncn1 96072871 GUMYCVTZIYWLJF-SUMWQHHRSA-N 342.403 1.149 0 40 EDAB CN(CCc1cnn(C)c1)C(=O)CN1C[C@@H](c2ccccc2)CC1=O 95509309 LGWOGUROXVNZQA-KRWDZBQOSA-N 340.427 1.437 0 40 EDAB CC(C)c1nccn1CCC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 96444746 NHWUCDAGJAEUOX-CQSZACIVSA-N 330.436 1.525 0 40 EDAB Cn1ccc(NC(=O)N2CCN(c3ncnc4ccsc34)CC2)n1 96434411 CXPBCUHTNAOKQP-UHFFFAOYSA-N 343.416 1.779 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C)c1 583616477 ZTTXZKKQUWWPGG-XHSDSOJGSA-N 339.457 1.854 0 40 EDAB Cc1cccc2nc(CN3CCC(Cn4ccnn4)CC3)cc(=O)n12 95435415 GCSXBRPDOKKAMX-UHFFFAOYSA-N 338.415 1.507 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 96042309 QAYGGMZWJUDYMM-SOUVJXGZSA-N 344.346 1.462 0 40 EDAB C[C@@H]1c2ncc(COCC(=O)N3CCCC3)n2CCN1C1CCC1 96109820 FVMBIJOUVIFSDY-CQSZACIVSA-N 332.448 1.951 0 40 EDAB c1ccc(CN2CCOC[C@@]3(C[C@H](Cn4cnnc4)CO3)C2)cc1 96240610 BEHNLWDGJOFTBV-QZTJIDSGSA-N 328.416 1.586 0 40 EDAB CCN(CC)[C@H](CNC(=O)N[C@H]1CCC(=O)N(C)C1)c1ccccc1 96415182 QHWHDWJVEPDMFH-DLBZAZTESA-N 346.475 1.990 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(C(=O)c1ccno1)CC2 96069757 SVERJNUZVTULTK-CYBMUJFWSA-N 343.387 1.029 0 40 EDAB O=C1COC2(CCN(C(=O)c3ccccn3)CC2)CN1CC1CC1 96201407 INULGFKGYMQPJD-UHFFFAOYSA-N 329.400 1.325 0 40 EDAB CCOc1ccc(CCC(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)cc1 96107958 LDOKTMAPNSYOJM-FUHWJXTLSA-N 332.444 1.807 0 40 EDAB c1csc(CN2CCOC[C@@]3(C[C@H](CN4CCCC4)CO3)C2)n1 96052016 FXBZZXVUKMYBTK-NVXWUHKLSA-N 337.489 1.846 0 40 EDAB O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CCOCC1)c1ccco1 247507005 RTQBRMNUMUWYSQ-BQFCYCMXSA-N 348.443 1.915 0 40 EDAB Cc1noc(C)c1CN1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 248009154 IJMDSTJWIGGGFT-WMZOPIPTSA-N 346.431 1.938 0 40 EDAB COCC(=O)N1CCC(Cc2nccnc2-c2cnc(C)n2C)CC1 257343722 ZUDLGVFBYDTZLO-UHFFFAOYSA-N 343.431 1.613 0 40 EDAB COc1cccc(CC(=O)N[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)c1 257329457 XKBQDABCWZGWOT-JFIYKMOQSA-N 329.400 1.623 0 40 EDAB O=C(N1CCCC1)[C@@]1(c2cnccn2)CCCN1Cc1ccccn1 257304396 SLLAYFFRRCQVBZ-IBGZPJMESA-N 337.427 1.985 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@@H](CCc3cc(O)ncn3)C2)cn1 257342879 ZQMDYWTYCJRYGT-HNNXBMFYSA-N 328.372 1.359 0 40 EDAB CN(C(=O)c1cccc(OCCN)c1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257320754 VYLSCZNTNUIANX-KZNAEPCWSA-N 347.459 1.084 0 40 EDAB CCCn1cc(C(=O)N2CCOC[C@H](Cc3cnccn3)C2)cn1 257273374 NGHBOJOFEDXUHT-CQSZACIVSA-N 329.404 1.414 0 40 EDAB COc1ccc(CC(=O)N2CCC[C@]2(C(N)=O)c2cnccn2)cc1 257207298 BHDHDTQUENTSRU-GOSISDBHSA-N 340.383 1.031 0 40 EDAB Cc1cn(C)c([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257337138 YRNZAVUILJWQMV-LLVKDONJSA-N 327.431 1.552 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@H](Oc4ccccn4)CCO3)C2)on1 253600085 GIBHSXRNPIPUFE-CYBMUJFWSA-N 329.356 1.831 0 40 EDAB CCOC(=O)c1cc(COc2ccc(S(C)(=O)=O)cc2)on1 585132954 JKZCCWPXAQNCHZ-UHFFFAOYSA-N 325.342 1.834 0 40 EDAB CC(C)n1c(S)nnc1[C@H]1CCCN(C(=O)Nc2ccn(C)n2)C1 585119996 FKPXAIQUVATDIT-NSHDSACASA-N 349.464 2.293 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2coc(CS(C)(=O)=O)n2)o1 585132230 QVRWINLAOFOSPV-MWLCHTKSSA-N 338.385 1.866 0 40 EDAB CNc1ccc(C[C@@H]2CCCN(C(=O)c3cnc(C)nc3)C2)nn1 257271382 MYAYOANEXIBRKJ-ZDUSSCGKSA-N 326.404 1.712 0 40 EDAB Cc1nccc([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 257319485 VSUGNOJUOXBXCO-MRXNPFEDSA-N 331.347 1.903 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCC[C@@H](n2ccnc2C)[C@@H]1O 257315403 VBDNDKYLDXYEES-JFIYKMOQSA-N 345.447 1.355 0 40 EDAB CNc1cccc(CC[C@H]2CCCCN2S(=O)(=O)N(C)C)n1 257334906 YHVJRGKMXRWJAJ-CQSZACIVSA-N 326.466 1.717 0 40 EDAB O=S(=O)(c1c(F)cccc1F)N1CC(Nc2ncccn2)C1 253473777 YKDIFHUOTBHMBH-UHFFFAOYSA-N 326.328 1.240 0 40 EDAB O=C(c1cc2c(nc1O)CCCC2)N1CC[C@](O)(CN2CCCC2)C1 257212131 CCBBVAXLOJQCKN-IBGZPJMESA-N 345.443 1.339 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 257252323 JUJMXTJGABZSLJ-HNNXBMFYSA-N 346.387 1.628 0 40 EDAB Cn1nnc2cc(C(=O)N(CCC(=O)O)C[C@@H]3CCCO3)ccc21 532257468 ZUCPCVGBCOXFKV-LBPRGKRZSA-N 332.360 1.064 0 40 EDAB CN1C(=O)c2ccc(C(=O)N3CCC[C@@H](CCC(=O)O)C3)cc2C1=O 262158807 MYQFYBIHZHMCPX-NSHDSACASA-N 344.367 1.629 0 40 EDAB CC1(C)C[C@H](S(=O)(=O)N2Cc3ccccc3[C@H](C(=O)O)C2)CO1 629333882 ZDRNWZHYAQUIIB-GXTWGEPZSA-N 339.413 1.568 0 40 EDAB Cc1cc(NC(=O)Cn2nc(-c3ccco3)n(C3CC3)c2=O)no1 96119133 AEJOXHKKNQJPSL-UHFFFAOYSA-N 329.316 1.575 0 40 EDAB C[C@@H]1CCC[C@@H](CS(=O)(=O)N2CCC[C@H](N3CCNC3=O)C2)C1 1615613752 JUNMFIRCEOERKY-KFWWJZLASA-N 343.493 1.632 0 40 EDAB COc1ccccc1OCCN(C)C(=O)[C@H]1NCc2ncncc21 1615613885 AQVIRZZTJPXOQL-INIZCTEOSA-N 328.372 1.167 0 40 EDAB CN(C)c1ccc([C@H](O)CNC(=O)C(=O)Nc2ccccc2F)cc1 90611901 DPWHAKIOEZKGDF-MRXNPFEDSA-N 345.374 1.680 0 40 EDAB COC1CCC(C)(CNC(=O)CN2CCCC[C@@H](O)C2=O)CC1 606444400 VJPJEOUOGQEJPA-XOYHFGRZSA-N 326.437 1.071 0 40 EDAB O=C(C[C@@H]1CN(c2ncc(F)cn2)Cc2cccn2C1)N1CCCO1 585099104 MFHHEMSGEQHZDA-ZDUSSCGKSA-N 345.378 1.608 0 40 EDAB O=C(C1CCCC1)N1CCOC[C@@](O)(COc2cccc(F)c2)C1 585276432 OQILCYJTYGUUMN-GOSISDBHSA-N 337.391 1.985 0 40 EDAB Cc1cccc(OC[C@@]2(O)COCCN(C3CCN(C)CC3)C2)c1 585276101 LWEKDGYGJMRJAC-IBGZPJMESA-N 334.460 1.531 0 40 EDAB Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)NC[C@@H]1COCO1 585141060 OZZQFVSAPPFQMB-GFCCVEGCSA-N 338.314 1.860 0 40 EDAB CN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1=O 69704224 DHESMWHMKKSWSB-UHFFFAOYSA-N 349.346 1.617 0 40 EDAB O=C1C[C@H](C(=O)NCCCCN2CCOCC2)c2ccc(F)cc2N1 40541035 DCOWSEJTRXNZCN-HNNXBMFYSA-N 349.406 1.480 0 40 EDAB C[C@@H](CNC(=O)CCn1cnc2ccccc21)CN1CCN(C)CC1 79310643 VDRCNIPKHYNHHM-INIZCTEOSA-N 343.475 1.426 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](C(N)=O)c2ccccc21 84012107 WEHHLMYOHQRMGS-OAHLLOKOSA-N 326.400 1.585 0 40 EDAB CC(C)(C)n1ncc2c(=O)[nH]c(N3CC[S@@](=O)C(C)(C)C3)nc21 88756818 UABVOPLFSNXRQM-QHCPKHFHSA-N 337.449 1.222 0 40 EDAB CCN(CC)Cc1nc(C2(NC(=O)c3cnn(C)c3)CCCC2)no1 95955071 UKFHJRIIOKTAAX-UHFFFAOYSA-N 346.435 1.844 0 40 EDAB CN1CCO[C@@H]2CN(CC(=O)N[C@@H](c3ccccc3)C3CC3)C[C@H]21 107157794 MZMNDDDNZPSMNZ-LMMKCTJWSA-N 329.444 1.269 0 40 EDAB COCc1nc(OC)cc(N2CCc3nc(N(C)C)sc3C2)n1 1548449417 SVBRYGFKATZSBG-UHFFFAOYSA-N 335.433 1.717 0 40 EDAB CN1C[C@@H](C(=O)NCCn2ccnc2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595979 WXDSYZPIDGWHCK-VYDXJSESSA-N 344.390 1.450 0 40 EDAB Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O 5000094 HDPZBOZWUNABTO-UHFFFAOYSA-N 345.305 1.617 0 40 EDAB COc1cccc(N(CC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)c1 13648121 BRBZCGXVZJCGBY-CYBMUJFWSA-N 340.445 1.720 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)cc2)c1 15590748 RIMHIWUOTMUWSL-UHFFFAOYSA-N 334.397 1.533 0 40 EDAB CC1=N[C@H](N2CCOCC2)[C@@H](N2CCOCC2)N1c1ccccc1 19319117 ASTAQVNKQQSKFG-MSOLQXFVSA-N 330.432 1.242 0 40 EDAB O=C(CN1C(=O)N2CCN=C2c2ccc(Cl)cc21)NCC1CC1 19345943 GZUPJMXRFCBRMT-UHFFFAOYSA-N 332.791 1.868 0 40 EDAB c1ccc(-c2cc(CNC[C@H]3COCCO3)c3nnnn3c2)cc1 19374023 LWNQDOGZJPQXDQ-INIZCTEOSA-N 325.372 1.296 0 40 EDAB COc1ccc(N2C[C@H](NC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 4373448 NOLYRFGQYFRLHJ-MELADBBJSA-N 347.415 1.619 0 40 EDAB COc1ccnc(NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)n1 585149452 SXGCFOVXBCWIAE-MRVPVSSYSA-N 328.298 1.814 0 40 EDAB COCc1nsc(N2CC[C@H](COc3cc4c(nn3)CCC4)C2)n1 1888866423 BADRPIYEMMWAJL-NSHDSACASA-N 347.444 1.869 0 40 EDAB O=C([C@H]1CN(c2ccnc(C(F)(F)F)c2)CCO1)N1CCOCC1 1889096197 DIHLRXMQZVICJG-GFCCVEGCSA-N 345.321 1.164 0 40 EDAB Cc1cc(C(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)n(C)n1 238867931 MEYXDJPNCDJXHJ-ZDUSSCGKSA-N 342.355 1.178 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@@H]3OCC(=O)N(C(C)C)C[C@H]3C2)cn1 2037985216 BNYXSFFVCBUYQO-SJORKVTESA-N 345.443 1.417 0 40 EDAB Cn1c(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc(=O)n(C)c1=O 2086918801 XAZVRDIWDFCHLE-UHFFFAOYSA-N 349.818 1.225 0 40 EDAB Cc1nc2ccc(N3CCN(c4ncnc5c4CCC5)CC3)nn2c1C 2087023434 RUFAEJYUBKRLDS-UHFFFAOYSA-N 349.442 1.951 0 40 EDAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(CC(=O)NC[C@@H]2CCCO2)C1 2087064952 YLUNIPVLMRFGRJ-GJZGRUSLSA-N 339.480 1.251 0 40 EDAB Cc1cccc(CO[C@@H]2C[C@H]3CN(C(=O)c4cc[nH]n4)CCN3C2)n1 1565549339 PRNSOMQUGLWPPC-JKSUJKDBSA-N 341.415 1.229 0 40 EDAB C[C@]1(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)CC=CCC1 1565545482 HBJZJXLLDOXLIS-QAPCUYQASA-N 340.431 1.880 0 40 EDAB O=C(c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2)N1CC(F)C1 2055713694 ZJGJWGYYXFGUFC-GFCCVEGCSA-N 334.395 1.252 0 40 EDAB Cc1c(Cl)cccc1C(=O)N1C[C@H]2CCN(S(C)(=O)=O)[C@H]2C1 2055771590 KPIAGFXUHLTFPE-RISCZKNCSA-N 342.848 1.754 0 40 EDAB CC(C)CN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)N1CCOCC1)C2 2055713334 BEUKGAOWYZOEOT-CQSZACIVSA-N 348.447 1.032 0 40 EDAB CC[C@@H](C)CNC(=O)c1ncn2c1CC[C@H](C(=O)NCC1CC1)C2 2055713850 RNRDNDSGSUIZTK-OCCSQVGLSA-N 332.448 1.748 0 40 EDAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1ccc2c(c1)OCO2 22769578 HUTBUWFKEQEJRW-CQSZACIVSA-N 344.367 1.812 0 40 EDAB COc1cccc(CC(=O)N[C@@H]2CCc3nc(N(C)C)ncc3C2)c1 618257438 WGPROODXOWFEOW-OAHLLOKOSA-N 340.427 1.767 0 40 EDAB Cc1nnc2c(N3CCC[C@@H](COc4cnccn4)C3)nccn12 2298214470 RFJDCTJRJQJDAE-CYBMUJFWSA-N 325.376 1.518 0 40 EDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100474708 ITASIBIOHKWOKH-FIXIBIHLSA-N 330.384 1.151 0 40 EDAB CN(C)C(=O)N1CCN(Cc2cc(Cl)c3c(c2)OCO3)CC1 30968820 VKNSLYSWNVXQNJ-UHFFFAOYSA-N 325.796 1.868 0 40 EDAB CC[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1OC 40520753 RHPXJTPEZILNJM-JSGCOSHPSA-N 340.445 1.880 0 40 EDAB COC(=O)c1sc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)nc1C 102303880 XBBHGEXXTLHTJJ-JBDRJPRFSA-N 340.357 1.055 0 40 EDAB COCCOc1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 32929993 KNDLHRKLPIJDSN-UHFFFAOYSA-N 326.352 1.763 0 40 EDAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1nnc2ccccn12 41836593 RDNUUJRHOUMKPH-ZDUSSCGKSA-N 327.344 1.715 0 40 EDAB O=C(CN1CCN(C(=O)c2cc(Cl)ccc2O)CC1)NC1CC1 41980529 KTHIINCMVZDRJS-UHFFFAOYSA-N 337.807 1.082 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 23530500 BJGQWGVJGIDTJA-VOJFVSQTSA-N 345.399 1.593 0 40 EDAB O=C(CNC(=O)NCC(=O)N1CCCC1)Nc1ccc(Cl)cc1 54648966 NWXRGNQOCOOZID-UHFFFAOYSA-N 338.795 1.200 0 40 EDAB Cn1ncc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1-n1cccc1 61719293 BHBPQMDWSXJADC-KSSFIOAISA-N 328.416 1.978 0 40 EDAB O=C(Nc1nccs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24487854 MLRNMKNWZOSFBU-VIFPVBQESA-N 331.353 1.863 0 40 EDAB CCN1CCN([C@H](C)CNc2ncncc2Br)CC1 79109345 IXONAMCNPLBMOH-LLVKDONJSA-N 328.258 1.677 0 40 EDAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(C(=O)C2CC2)CC1 24593282 PDPQVSGBMAGUQS-GFCCVEGCSA-N 345.399 1.297 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2Cl)[nH]n1 25100000 MKFMAFOQHGMCAJ-VIFPVBQESA-N 339.804 1.647 0 40 EDAB Cc1noc(COC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 25449202 CATJXGDCANCWTF-UHFFFAOYSA-N 337.357 1.275 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)C1 107313332 GNXDYUWTRSCNBF-VVLHAWIVSA-N 339.480 1.411 0 40 EDAB O=C(CNC(=O)N[C@H]1CCc2c(F)cccc21)NCC(F)(F)F 56859708 BGGPIFUVNMLQSE-NSHDSACASA-N 333.285 1.791 0 40 EDAB C[C@H](C(=O)N1CCOCC1)N1CCN(C/C=C/c2ccccc2)CC1 57571050 VDYFNOVIHXYDMF-KRZKXXONSA-N 343.471 1.565 0 40 EDAB CCSCC(=O)N1CCN(c2nc(C)nc3c(C)nn(C)c23)CC1 28559375 YQOBOQUDODLPQM-UHFFFAOYSA-N 348.476 1.382 0 40 EDAB Cc1cccc(C(C)(C)CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 58191115 KMLXHVCDPVUVPW-UHFFFAOYSA-N 349.456 1.689 0 40 EDAB Cc1ccccc1CC(=O)N1CCN(Cn2ncn(C)c2=S)CC1 58267604 INVZDZSSGNZINE-UHFFFAOYSA-N 345.472 1.604 0 40 EDAB Cc1nc(CCNC(=O)NCCN2C[C@@H](C)O[C@H](C)C2)cs1 44953656 ZJNMDMVLIAYYEJ-VXGBXAGGSA-N 326.466 1.402 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)c2cccc3ncccc23)CC1 44908127 YBRWPGHJUUZCPD-UHFFFAOYSA-N 333.413 1.389 0 40 EDAB CNC(=O)[C@@H]1Cc2ccccc2CN1C[C@H](O)COCc1ccco1 44949547 HLKGWULWVBGSGE-WMZOPIPTSA-N 344.411 1.330 0 40 EDAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 2194426 TVJDNPNVZCZHNV-UHFFFAOYSA-N 341.439 1.522 0 40 EDAB C[C@H](CNC(=O)c1ccnc(-n2ccnc2)c1)CN1CCCC1=O 58343935 HAQQSAFGZNVTOT-CYBMUJFWSA-N 327.388 1.256 0 40 EDAB COCCOc1ncccc1CNCc1c(C)nn(C)c1N(C)C 58421561 ZIQLVLKZFLEOHK-UHFFFAOYSA-N 333.436 1.505 0 40 EDAB O=C(COC(=O)[C@@H]1COCCO1)c1ccccc1Br 58709517 PGDVZTMEWJGCJG-LBPRGKRZSA-N 329.146 1.590 0 40 EDAB Cc1cc(N2CCC[C@H](C(=O)N(CCO)CC(F)(F)F)C2)ncn1 95411584 IUVWWIBSGOTNLF-LBPRGKRZSA-N 346.353 1.385 0 40 EDAB O=C1CC[C@H](C(=O)Nc2nc(CN3CCCCCC3)cs2)CN1 48263194 WXHOXBBYJSMLJN-LBPRGKRZSA-N 336.461 1.984 0 40 EDAB COc1cc2c(cc1CN(CC(N)=O)C[C@@H]1CCCO1)O[C@H](C)C2 48276993 IWVZSDPSGSEWIX-DOMZBBRYSA-N 334.416 1.485 0 40 EDAB CC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)c1ccc(OC)cc1 48236829 YYCXMUCAASERCE-OAHLLOKOSA-N 345.399 1.580 0 40 EDAB C[C@H](CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)c1ccccc1 48251849 XKNUCDNGXPUUIK-UKRRQHHQSA-N 339.461 1.340 0 40 EDAB COc1cc(CN[C@H]2CCCN(c3ccn(C)n3)C2=O)ccc1F 95437392 ITPZJQGPLLDJEI-AWEZNQCLSA-N 332.379 1.853 0 40 EDAB CC1CCN(C(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)CC1 3596834 IJZFGFRSCZLKMA-MRXNPFEDSA-N 343.427 1.798 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@H]1N(C)C 89948367 ZAAXFRTXMWAIEV-BZUAXINKSA-N 331.464 1.492 0 40 EDAB Cc1noc(C)c1C[C@H](C)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 76053968 IJXIYWFMEYNOFO-GDZNZVCISA-N 335.448 1.649 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3cnn(C)c3)CC2)cc1F 38726726 JMCZQCUFCVTKSG-UHFFFAOYSA-N 332.379 1.526 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)c3cn4ccccc4n3)CC2)S1 76042305 OCWCFAMTYYUFNF-GFCCVEGCSA-N 329.429 1.583 0 40 EDAB CN1C[C@H]2CC[C@@H](C(=O)NCC3CC3)N2c2ccccc2S1(=O)=O 306139310 SUJFSCKYCZBIJH-HIFRSBDPSA-N 349.456 1.184 0 40 EDAB CCOc1ccccc1-n1nnnc1S[C@@H]1CCCCNC1=O 14077437 DFJYRQWFRZNXAD-CYBMUJFWSA-N 333.417 1.822 0 40 EDAB Cc1ccccc1C(=O)NCCC(=O)N1CCCN2CCC[C@@H]2C1 65565152 HLBZYEOWQXUQSK-MRXNPFEDSA-N 329.444 1.812 0 40 EDAB COCCOc1ncccc1NC(=O)c1ccnc(-n2ccnc2)c1 65562312 VWSJWUXJLJXFHS-UHFFFAOYSA-N 339.355 1.940 0 40 EDAB Cc1cc(CN2CCN(c3ncnc4c3CN(C)CC4)CC2)on1 65487660 XMJYUCYCRYSHBR-UHFFFAOYSA-N 328.420 1.083 0 40 EDAB COC(=O)[C@@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1=O 4815608 GQNGXRKCFPMOJA-OAHLLOKOSA-N 325.320 1.773 0 40 EDAB Cc1cc(CN2CCC[C@@H](CNS(N)(=O)=O)C2)c2ccccc2n1 96412955 IKRSTBTUHRAGMM-AWEZNQCLSA-N 348.472 1.548 0 40 EDAB Cc1n[nH]c(C)c1CNC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 98020296 ARIOCPXUUKLYBX-MRXNPFEDSA-N 332.408 1.217 0 40 EDAB Cc1noc(C)c1CC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 71841556 AXTIJKSNXWDWII-CYBMUJFWSA-N 333.363 1.433 0 40 EDAB CN1CC(=O)N(CC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)C1=O 71828348 SUOILFHXFTZHMU-UHFFFAOYSA-N 344.371 1.958 0 40 EDAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCC1(c2ccc3c(c2)OCO3)CC1 71853457 TYULSTJTVLKFAC-JSGCOSHPSA-N 344.411 1.725 0 40 EDAB COc1cccc(C2(C(=O)NCCS(C)(=O)=O)CCCC2)c1 71888783 YHQIYMMANDOFKL-UHFFFAOYSA-N 325.430 1.668 0 40 EDAB COc1cccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1OC 71829781 VUOPGEHCLKPYCL-OCCSQVGLSA-N 334.416 1.749 0 40 EDAB COc1ccc(Cc2nc3ccccc3n2C[C@H](O)CO)cc1OC 27693712 HIALOBSUFOSCOO-AWEZNQCLSA-N 342.395 1.998 0 40 EDAB CN(C)C(=O)CN1C(=O)[C@H]2CCc3[nH]c4ccccc4c3[C@H]2C1=O 16027521 WENJLFXQUOXWAM-ZBEGNZNMSA-N 325.368 1.271 0 40 EDAB biogenic Cc1nccn1CCCNC(=O)c1ccc(N2CCOCC2)c(F)c1 71883251 PLIAUYWAVZJEJR-UHFFFAOYSA-N 346.406 1.987 0 40 EDAB Cn1c([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2)n[nH]c1=S 71896206 QVUYYRKZKXDGSL-WDEREUQCSA-N 349.460 1.195 0 40 EDAB Cc1noc(-c2ccc(C(=O)NNc3ncnc4[nH]cnc34)cc2)n1 71916742 MFGZLVILPRCXBB-UHFFFAOYSA-N 336.315 1.468 0 40 EDAB CN(C)c1nc(CN(Cc2ccccc2)S(C)(=O)=O)ns1 89736645 DZQWPZHDLJBVCW-UHFFFAOYSA-N 326.447 1.566 0 40 EDAB Cc1nnc2ccc(N3CCN(Cc4nc(C5CC5)no4)CC3)nn12 70017140 MGPVYZKOQKMZJC-UHFFFAOYSA-N 340.391 1.015 0 40 EDAB Cc1cc2ncn(C[C@H](O)CN[C@H](C)Cn3cccn3)c2cc1C 69390127 IWZYKXATVOWPQN-HZPDHXFCSA-N 327.432 1.889 0 40 EDAB CCc1nc(CN2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)no1 95964132 NWFBRZXMGGLVFG-AWEZNQCLSA-N 335.452 1.149 0 40 EDAB COC(=O)CN(CCN1CCOCC1)Cc1nc2ccccc2s1 69598600 NYKVRVLLWMJTMF-UHFFFAOYSA-N 349.456 1.604 0 40 EDAB COC(=O)C(C)(C)NC(=O)CCCN1CCN(c2ccccc2)CC1 69632396 CIMWVOHNGPQUFK-UHFFFAOYSA-N 347.459 1.657 0 40 EDAB O=C(Nc1ccc2c(c1)OCCCO2)c1cnc2n(c1=O)CCS2 9836502 IVKRFHFQWCSKIP-UHFFFAOYSA-N 345.380 1.763 0 40 EDAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCC(Nc2cccnn2)CC1 69737978 XUIZSUUEONZBMK-ZBFHGGJFSA-N 348.447 1.854 0 40 EDAB Cn1cc(CN2CCCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)cn1 69738785 LZWLIHVUAJGBRB-GOSISDBHSA-N 340.427 1.458 0 40 EDAB O[C@H](COc1ccccc1)CN1CCN(Cc2cccnc2)CC1 69777862 MLQMOWSUVPPQOJ-SFHVURJKSA-N 327.428 1.639 0 40 EDAB CCCNC(=O)CN1CCN(c2ccnc(-c3ccccc3)n2)CC1 69776091 BZILCAPPGHAASR-UHFFFAOYSA-N 339.443 1.792 0 40 EDAB CCc1nnc2n1C[C@@H](CNCc1cn(-c3ccccc3)nn1)CC2 69778905 SBKMSOSNWPEPMV-CQSZACIVSA-N 337.431 1.773 0 40 EDAB CC(C)C[C@@H](NC(=O)Cn1ncn(C)c1=O)c1nc2ccccc2[nH]1 97047751 LIHWSPJXXSXODX-CQSZACIVSA-N 342.403 1.362 0 40 EDAB Cc1ccc(NCCNC(=O)c2cnn(-c3ccccn3)c2C)nn1 69808686 LRTXYZYWFITGAO-UHFFFAOYSA-N 337.387 1.516 0 40 EDAB COc1ccsc1C(=O)N1CCCN(Cc2nccn2C)CC1 69951565 YAYZQARPPQWUKL-UHFFFAOYSA-N 334.445 1.838 0 40 EDAB CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C(N)=O)c1ccc(F)cc1)CC2 69919339 ZYAQYERAMNKZHD-DZGCQCFKSA-N 331.395 1.672 0 40 EDAB COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 69974707 CWOGCTSXEIGCNS-CRAIPNDOSA-N 339.395 1.926 0 40 EDAB CNC(=O)c1ccc(OC)c(NC(=O)Cc2ccccc2C(=O)O)c1 70666540 SBHVNKDMQZVTEY-UHFFFAOYSA-N 342.351 1.934 0 40 EDAB biogenic Cn1cc(N2CC[C@@H](NC(=O)c3ccc(OCC4CC4)nc3)C2)cn1 72287363 QSVOKQUSVSIUCT-OAHLLOKOSA-N 341.415 1.613 0 40 EDAB Cc1nc2sc3c(=O)n(CC(N)=O)cnc3c2c2c1CCCC2 8993088 MTIFGJYXRWVCMB-UHFFFAOYSA-N 328.397 1.679 0 40 EDAB COc1ccc2cc(C(=O)N3CCN(CC[S@](C)=O)CC3)[nH]c2c1 72294444 XVNRXMYCYVKYPB-XMMPIXPASA-N 349.456 1.313 0 40 EDAB Cc1nnc(NC(=O)CN2CCC[C@H]2c2noc(C3CC3)n2)s1 84291800 KRFBVQYRXBAQRB-JTQLQIEISA-N 334.405 1.883 0 40 EDAB O=C(COc1ccccc1)N1CCN(Cc2noc(C3CC3)n2)CC1 84553576 PWCIPLRCCQGYRN-UHFFFAOYSA-N 342.399 1.670 0 40 EDAB O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NCC1(O)CCC1 95399586 IRCYEBSVZCVVPG-KRWDZBQOSA-N 331.460 1.765 0 40 EDAB COc1ccc(Cn2nnnc2SCC(=O)NC(C)(C)C)cc1 9950917 IZQCYSBPPHOBRD-UHFFFAOYSA-N 335.433 1.737 0 40 EDAB COc1ncccc1C(=O)N1CCN(c2nncc3ccccc23)CC1 75144829 QUBVLMORAZZPFE-UHFFFAOYSA-N 349.394 1.996 0 40 EDAB C[C@H]1CCc2onc(C(=O)N3CCN(c4ncccn4)CC3)c2C1 20572066 BIVHHPVHKJAGFJ-LBPRGKRZSA-N 327.388 1.552 0 40 EDAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@H]1CCS(=O)(=O)C1 27975669 OXHLRWZLAIIUKH-GOEBONIOSA-N 337.441 1.636 0 40 EDAB COc1ccc2c(C)c(CC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2c1 11865466 WKDTXRHALDJATM-MRXNPFEDSA-N 347.367 1.878 0 40 EDAB biogenic CC(C)C[C@H](NC(=O)Cn1c(S)nc2ccccc2c1=O)C(=O)O 669470234 PDJRBGWIARCICI-LBPRGKRZSA-N 349.412 1.301 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1)n1cncn1 548677326 STNYSTFZGYNVKD-WBVHZDCISA-N 342.447 1.747 0 40 EDAB C[C@H](OC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2)C(N)=O 21415198 JUDCBEBNXDGTGK-JTQLQIEISA-N 345.355 1.279 0 40 EDAB CCN(C)[C@H](C(=O)NCCc1nnc2n1CCC2)c1ccccc1 68289767 NUFLCYRAHKHLPL-KRWDZBQOSA-N 327.432 1.576 0 40 EDAB COc1ncccc1NC(=O)c1c(-n2cnnn2)sc(C)c1C 524733988 KMRGLGMVCNAOEE-UHFFFAOYSA-N 330.373 1.997 0 40 EDAB COc1ccccc1CNC(=O)CNCc1ccc2c(c1)OCO2 35311389 GSZZJRJCUVDHJZ-UHFFFAOYSA-N 328.368 1.830 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)NC[C@@](C)(O)c1ccccc1Cl 120774834 RAPXSNWZETYUOE-IAQYHMDHSA-N 337.811 1.527 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)C(=O)O 218207663 IJSYYZNIRUEONY-UMNHJUIQSA-N 348.218 1.132 0 40 EDAB Cc1ccc(NC(=O)Cn2nnc3c(C)nn(C)c3c2=O)cc1C 32647305 CSKXRUXLEIKHFR-UHFFFAOYSA-N 326.360 1.089 0 40 EDAB CCc1cnc(N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)s1 562678237 RQCQJOBKSUVGCP-UHFFFAOYSA-N 331.445 1.811 0 40 EDAB Cc1ccc(-n2[nH]c(C(=O)NC[C@@H]3CCCC[C@H]3O)cc2=O)cc1 73931997 PUVMZIVGGAFRRP-XJKSGUPXSA-N 329.400 1.755 0 40 EDAB O=C(c1cccc2c1OCC2)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1066067489 HLYPMWSISWHHBO-GASCZTMLSA-N 336.395 1.620 0 40 EDAB COCCCNS(=O)(=O)c1ccc(NC(C)(C)C)c(C(=O)O)c1 217600210 AFBJHVZMQXDEEE-UHFFFAOYSA-N 344.433 1.910 0 40 EDAB COc1cc(C)n(CCNC(=O)[C@@H](C)Oc2ccccc2)c(=O)c1 238906840 RXISYMGWQHAINU-CQSZACIVSA-N 330.384 1.749 0 40 EDAB O=C(CN1C(=O)C[C@]2(CCc3ccccc32)C1=O)NCc1ccccc1 180678028 NVIPXAMGAGOUHE-NRFANRHFSA-N 348.402 1.946 0 40 EDAB CCc1cc(C)nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccns2)n1 1062534407 ALSARABUAWOIQQ-STQMWFEESA-N 329.429 1.907 0 40 EDAB CN1CCN(c2ncc(NC(=O)CCc3ccccc3)cn2)CC1 224253319 KUYMALBKYVSQFQ-UHFFFAOYSA-N 325.416 1.800 0 40 EDAB O=C(C1CCOCC1)N1CCN2C(=O)N(Cc3ccccc3)C[C@H]2C1 85436056 OHQSSTLNUVJGFG-QGZVFWFLSA-N 343.427 1.562 0 40 EDAB biogenic,in-vitro Cc1cc(N2CCC(NC(=O)c3cccc4c3OCCO4)CC2)n[nH]1 225751188 MCAHBSHHNAOQCG-UHFFFAOYSA-N 342.399 1.888 0 40 EDAB COc1cc(C)n(CCNC(=O)c2cc(-c3ccco3)n[nH]2)c(=O)c1 225616067 CINDCVVSVDUEOE-UHFFFAOYSA-N 342.355 1.578 0 40 EDAB O=C([C@@H]1Cc2ccccc2CO1)N1CC[C@H](Oc2cnccn2)C1 225796006 CFFIETNXENUHNC-HOTGVXAUSA-N 325.368 1.598 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CN1CCS(=O)(=O)CC1 47195600 DYMVEVRMWSUCAH-UHFFFAOYSA-N 332.809 1.018 0 40 EDAB COC[C@@H]1CCN(C(=O)N2CCN(c3ncncc3Cl)CC2)C1 585082808 NQVUJRUYIHGRMA-GFCCVEGCSA-N 339.827 1.340 0 40 EDAB O=C1NCCO[C@H]2CN(C(=O)CCc3ccc(Cl)cc3)CC[C@@H]12 96107082 MIBAGQWUYPZWNP-CABCVRRESA-N 336.819 1.636 0 40 EDAB C[C@@]1(NC(=O)CNC(=O)c2ccccc2Br)CCOC1 96487274 DRUPCTOFRITBJO-CQSZACIVSA-N 341.205 1.474 0 40 EDAB CCOC(=O)[C@@]1(F)CN(Cc2ncc(Cl)s2)CC12COC2 583651731 RIHGIVYKAXNWLY-ZDUSSCGKSA-N 334.800 1.900 0 40 EDAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)cnc1Cl 583651919 VKVGCUJLPKZWNS-ZCFIWIBFSA-N 326.205 1.191 0 40 EDAB COc1ccc(-c2nn([C@H](C)C(=O)N(C)C)c(=O)cc2OC)cc1 96101022 PHBDLOJWFTXPNK-LLVKDONJSA-N 331.372 1.577 0 40 EDAB CCc1nsc(N2CCCN(C(=O)Nc3ccn(C)n3)CC2)n1 96434414 ROFZJXAJSUBOBH-UHFFFAOYSA-N 335.437 1.578 0 40 EDAB COC(=O)c1cc(Br)cnc1NCCS(C)(=O)=O 143609217 SMOLTAIGNNJUPV-UHFFFAOYSA-N 337.195 1.087 0 40 EDAB COCCN1CC[C@]2(COCCN(Cc3ccc4c(c3)OCO4)C2)C1 96201976 BJQLPANVZNUPJR-IBGZPJMESA-N 348.443 1.586 0 40 EDAB CC1(C)NC(=O)N(CCCN2CCO[C@@H](c3nccs3)C2)C1=O 97199939 RJCVDDKEXZPPAD-LLVKDONJSA-N 338.433 1.237 0 40 EDAB CCOC[C@]12CCCO[C@H]1CCN(S(=O)(=O)c1cn(C)cn1)C2 96039377 FXVUTBOAPNSTTB-DZGCQCFKSA-N 343.449 1.016 0 40 EDAB COCCc1nc(-c2ccc(C(N)=O)cc2)nn1CC(F)(F)F 95510157 GRNXFEDNEYBREM-UHFFFAOYSA-N 328.294 1.795 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCC(=O)c3cc(O)ccc32)c1 585118867 FYKZKUSVRLPORH-UHFFFAOYSA-N 335.385 1.951 0 40 EDAB CC(C)c1nc(CON2C[C@H](C(=O)OC(C)(C)C)CC2=O)no1 585122828 ALNUHIUHLQDUII-SNVBAGLBSA-N 325.365 1.815 0 40 EDAB Cc1ccc(C(=O)N2CCC3(CC2)C(=O)NCCN3CC2CC2)cn1 96230197 MUNJMJLMRRNYBV-UHFFFAOYSA-N 342.443 1.207 0 40 EDAB O=S1(=O)CCC[C@@H]1CN1CCN(CCCc2ccccc2)CC1 585133248 CCPCJXQGCNXXLA-GOSISDBHSA-N 336.501 1.814 0 40 EDAB COCc1cncc2c1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 96189295 AGDWTHRFLGFMNC-UHFFFAOYSA-N 348.424 1.984 0 40 EDAB O=C(c1cccnc1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 96072479 DOLQESMNHLQZQM-SJLPKXTDSA-N 325.368 1.929 0 40 EDAB CCCn1c([S@@](=O)[C@@H](C)c2nc(-c3ccccc3)no2)n[nH]c1=O 96446926 SAJVRMADWCFXGO-CCGUKBGLSA-N 347.400 1.900 0 40 EDAB CO[C@@H]1CC[C@@H]2OCCN(Cc3nc(N)c4ccccc4n3)[C@@H]2C1 96501529 LVIOTYBEAHWZSW-WQVCFCJDSA-N 328.416 1.980 0 40 EDAB Cn1ccc(C(=O)N2CC3(C2)OCC[C@H]3COc2ncccc2F)n1 248082474 AOGCSKLUYOICQW-LBPRGKRZSA-N 346.362 1.264 0 40 EDAB CCCS(=O)(=O)NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O 85467791 JBQCIAMTOGLMPY-CQSZACIVSA-N 343.424 1.091 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@](O)(CN2CCCC2)CC1 257221403 DOXRNTIGAVVKJQ-SFHVURJKSA-N 334.464 1.408 0 40 EDAB O=C(c1cc2c(s1)CCC2)N1CC[C@@](O)(CN2CCOCC2)C1 257292224 QKOBKMNDVVIWRD-QGZVFWFLSA-N 336.457 1.146 0 40 EDAB COc1ccccc1Cc1ccc(C(=O)N[C@H]2CCCNC2=O)cn1 257280493 OLCIGHVWMVMJSW-INIZCTEOSA-N 339.395 1.689 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)nc1 252503476 VDCFTLNHUZXRNH-SNVBAGLBSA-N 333.369 1.910 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1ccc(OC)cc1 257272317 NBYOGSFSROGMEJ-GOSISDBHSA-N 340.383 1.363 0 40 EDAB Cc1cc(N(C)C)nc([C@H]2COCCN2C(=O)c2ncccc2C)n1 257283721 OZORUKRUPOIEDK-CQSZACIVSA-N 341.415 1.768 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)CCO1 257218292 DCOJXRGPXVNIDU-CYBMUJFWSA-N 342.403 1.334 0 40 EDAB Cc1ccc(CC(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)s1 257271024 MWNIMNQZVNEDIL-KRWDZBQOSA-N 346.456 1.537 0 40 EDAB CC1=C[C@@]23C(=O)[C@@H](C=C(C)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C 267324878 FOSYZKSOJUQLTD-RMVYBZJPSA-N 332.440 1.843 0 40 EDAB biogenic,in-vitro COc1ccc2c(c1)C[C@H](C(=O)N1CC[S@@](=O)C[C@@H](C)C1)CO2 277665796 UGBOBYSGVGVREV-QCZLMCJCSA-N 337.441 1.473 0 40 EDAB COc1ncnc(OC)c1C(=O)Nc1ccc2c(c1)C(=O)NCC2 604968206 CANIUAYLRYSNGI-UHFFFAOYSA-N 328.328 1.032 0 40 EDAB Cc1ccccc1C(=O)N[C@H](C(=O)N1C[C@H]2CCN(C)[C@H]2C1)C(C)C 1616004771 HXOYYKHAOGPWCT-NJAFHUGGSA-N 343.471 1.912 0 40 EDAB O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccccc1Cn1ccnc1 563945586 WQUPYFVMTOBGQP-CYBMUJFWSA-N 335.385 1.169 0 40 EDAB Cc1cc(OC2CCN(C(=O)c3ccc(O)nc3)CC2)nc(C)n1 390827026 SJSARFZVHFFUAK-UHFFFAOYSA-N 328.372 1.878 0 40 EDAB O=C(Nc1ccc2c(c1)OCCO2)c1cccnc1N1CCOCC1 26716360 QQFBTAIBILSAPV-UHFFFAOYSA-N 341.367 1.942 0 40 EDAB CCn1cc(C(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)cn1 585269578 ZUCLSWZRRNDKRT-GOSISDBHSA-N 329.400 1.349 0 40 EDAB Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CC(=O)N3CC2CC2)c(C(F)F)n1 585107647 FUQKHAWSMOFJOM-VXGBXAGGSA-N 338.358 1.583 0 40 EDAB COC[C@H](C)NC(=O)c1nc2c(o1)CCN(c1nc(C)cc(C)n1)C2 585111612 DNEQUHPAJAVYEZ-LBPRGKRZSA-N 345.403 1.409 0 40 EDAB Cc1ccc(C[C@]2(CO)CN(C(=O)CCn3ccnc3)CCO2)cc1 585277988 OJRKTRWIDMAGQE-LJQANCHMSA-N 343.427 1.414 0 40 EDAB O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1cccc[n+]1[O-] 70829879 VRHDELKEGICOII-ZDUSSCGKSA-N 326.274 1.802 0 40 EDAB Cc1nn(C)cc1NC(=O)c1ccc(I)cn1 1557446752 MSBDUAZRDURXCI-UHFFFAOYSA-N 342.140 1.980 0 40 EDAB CCN(CCO)C(=O)Nc1cc(OC)c(C(=O)OC)cc1Cl 48113639 MAQIVIAQYVTFJW-UHFFFAOYSA-N 330.768 1.981 0 40 EDAB O=C(NCCC(=O)N1CCCC1)Nc1ccc(N2CCOCC2)nc1 61383073 PDPBWDLVTJGINR-UHFFFAOYSA-N 347.419 1.052 0 40 EDAB O=C(c1cc2n(n1)CCCO2)N1CCN(Cc2ccncc2)CC1 85555264 WYAWSGBXUMJNET-UHFFFAOYSA-N 327.388 1.019 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 96559780 OBRDXLMGJUPKMN-MRXNPFEDSA-N 337.441 1.771 0 40 EDAB O=C(NC1CCN(c2nc(O)c3cn[nH]c3n2)CC1)c1ccccc1 97163745 KYBAJDNTEILUFD-UHFFFAOYSA-N 338.371 1.457 0 40 EDAB C[C@@H](C(=O)NCc1nccs1)[C@H](O)CN(C)C(=O)OC(C)(C)C 585121476 QKOCUAWGOOJJAQ-GHMZBOCLSA-N 343.449 1.623 0 40 EDAB O=C1OC2(CN(CC3CC3)C2)[C@@H]2CN(Cc3ccccc3)CCN12 1549162419 PZCFKOCSXJGLEM-KRWDZBQOSA-N 327.428 1.787 0 40 EDAB CCNC(=O)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575605226 OMWGUUDLRCZOCV-SNVBAGLBSA-N 329.198 1.812 0 40 EDAB O=C(C[C@H](NCc1cccnc1)C(=O)O)Nc1ccc(F)cc1F 5258703 PVFCKIULEPESOD-AWEZNQCLSA-N 335.310 1.931 0 40 EDAB CCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)COC)n1 12006651 XMVJZTULLVNSCW-UHFFFAOYSA-N 343.343 1.363 0 40 EDAB O=C(Nc1nccs1)C1CCN(C(=O)c2ccc[nH]c2=O)CC1 14037465 IESXDDKFQVDYKP-UHFFFAOYSA-N 332.385 1.322 0 40 EDAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)N1CCN(Cc2ccccn2)CC1 585149812 PKHDWVOCEUSQTF-CVEARBPZSA-N 344.459 1.134 0 40 EDAB Cc1ccccc1CCC(=O)N1CC(N2CCC(C(N)=O)CC2)C1 390825915 PMVGUXJJKRCTAY-UHFFFAOYSA-N 329.444 1.336 0 40 EDAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1CCC1 4895608 OSMPSXDFPHDPHZ-UHFFFAOYSA-N 331.416 1.720 0 40 EDAB Cc1nc(N2C[C@H]3CN(C(=O)[C@H]4CC4(C)C)C[C@H]3C2)nc(O)c1F 1888844506 BSFOMYBQCGFNKF-GRYCIOLGSA-N 334.395 1.570 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC[C@H](N)C2)cc1Br 36297313 SDBINHLBRBRIDP-VIFPVBQESA-N 349.250 1.570 0 40 EDAB O=C(CNC(=O)OCc1ccccc1)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 240067968 SFRLWTOKNSWFCM-OAGGEKHMSA-N 348.399 1.366 0 40 EDAB CCn1nc(C)c(CN2CC[C@@H]3OCC(=O)N(C(C)C)C[C@H]3C2)c1C 2037984098 PXOSWMBEVSIGMP-AEFFLSMTSA-N 348.491 1.978 0 40 EDAB CN1CCCC[C@@]2(CN(C(=O)Cc3ccc(F)cc3)CCO2)C1=O 2037985453 KMFRUIBFTYCAFI-GOSISDBHSA-N 334.391 1.608 0 40 EDAB O=C(CC1(O)CCC1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 1142618452 UUAUEHIVKDBIMC-INIZCTEOSA-N 342.439 1.814 0 40 EDAB Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)NCc1cccs1 11927606 LDGSRZTVMRFDIC-UHFFFAOYSA-N 348.428 1.042 0 40 EDAB COC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@H]1c1cccnc1 12416521 XLILBSCFDHSFAI-JTQLQIEISA-N 344.396 1.829 0 40 EDAB COc1nn(C)cc1C(=O)/N=c1\sc2cc3c(cc2n1C)OCO3 100911702 FYIITQGKWJTHJJ-NXVVXOECSA-N 346.368 1.452 0 40 EDAB CCNc1cc(NCCNC(=O)COc2ccccc2)nc(C)n1 44213701 XKCCKMYCYHHHEC-UHFFFAOYSA-N 329.404 1.824 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCC[C@H](Oc2ccncn2)C1 575609740 OTQXKXILULZHCX-LBPRGKRZSA-N 337.376 1.848 0 40 EDAB CCN1CCN(C(=O)NCCc2ccc3c(ccn3C)c2)C(=O)C1=O 618255363 BQPUTTAMHOOQQQ-UHFFFAOYSA-N 342.399 1.121 0 40 EDAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC1CCCCC1 35349287 UYLODSJNCWBYRT-DYVFJYSZSA-N 329.444 1.655 0 40 EDAB Cc1c(C2=NO[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cnn1C 103505612 FGRPOPUDVUSKGM-TZMCWYRMSA-N 328.303 1.160 0 40 EDAB Cn1c(-c2ccccc2)nn(CN2CCC(C(N)=O)CC2)c1=S 205686 SHNAHIYKWBGIGG-UHFFFAOYSA-N 331.445 1.773 0 40 EDAB CC[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCC1 40090060 VZYFVGJNSSZMBT-CYBMUJFWSA-N 340.445 1.611 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)c3cnccn3)cn2)C[C@H](C)O1 40529371 KPDFMXSSXNJSGI-STQMWFEESA-N 327.388 1.415 0 40 EDAB O=C(Cc1cccc(F)c1)NCC(=O)Nn1cnc2ccccc21 40553353 BAAUEPHKSDJHAT-UHFFFAOYSA-N 326.331 1.604 0 40 EDAB O=C(N[C@@H]1CCN2CCCC[C@H]12)C1=NN(c2ccccc2)C(=O)CC1 40534874 BXXLMXOKBFSWPQ-NVXWUHKLSA-N 340.427 1.912 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2cccnc2)c1 32349405 JBQRSTKNMAXEHK-UHFFFAOYSA-N 333.413 1.271 0 40 EDAB O=C(Nc1ncccc1O)c1cccc(N2CCCS2(=O)=O)c1 21402624 ZFLPAKBGWTZAGE-UHFFFAOYSA-N 333.369 1.579 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCCc1ccccc1 52802917 SGNRPRQCFSVNBF-NVXWUHKLSA-N 331.460 1.663 0 40 EDAB COc1ccccc1-n1nnn([C@@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 103003157 KYIIDSFFMUGDAW-WQAKAFBOSA-N 334.357 1.062 0 40 EDAB CN(C)[C@@H](C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1 83021599 VUERGEPXMHMVGV-IAGOWNOFSA-N 345.443 1.185 0 40 EDAB C[C@H]1Sc2ccc(C(=O)NCc3nnc4n3CCC4)cc2NC1=O 54888549 ORSPYTHQRYFRFD-SECBINFHSA-N 343.412 1.587 0 40 EDAB C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCO[C@H](C)C1 24113454 NJHOBIQSSYSJAK-ZJUUUORDSA-N 337.445 1.383 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C)C1 105760362 FLEGEOZIMNJPJO-XQQFMLRXSA-N 326.437 1.585 0 40 EDAB CN(Cc1ccc(F)cc1)C(=O)CN(C)C1CCS(=O)CC1 79462956 ODVYANZGJHWSAK-UHFFFAOYSA-N 326.437 1.627 0 40 EDAB O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1ccc2c(c1)OCO2 2710425 XUEYOXYCQQMYQC-GFCCVEGCSA-N 332.312 1.580 0 40 EDAB COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 4122201 UYGFLTWDMUHAGI-UHFFFAOYSA-N 328.324 1.679 0 40 EDAB CCN1CCO[C@H]2CCN(S(=O)(=O)c3sccc3C)C[C@@H]21 108525139 RKWLVAQDWQLVGE-STQMWFEESA-N 330.475 1.540 0 40 EDAB O=C(NCc1ccco1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 108118869 IFCQGEQYQHTDKQ-WMZOPIPTSA-N 343.427 1.962 0 40 EDAB Cc1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1F 57327312 AELWYBGYEKUTTK-UHFFFAOYSA-N 329.379 1.685 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC[C@H](C)[C@H]1CO 108371422 AFELIJHEIBSGAH-SMDDNHRTSA-N 329.466 1.326 0 40 EDAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)Nc2nncs2)C[C@@H](C)O1 58080581 SJCRFYITGCHJLN-TUAOUCFPSA-N 325.438 1.644 0 40 EDAB CS(=O)(=O)c1nc2ccccc2n1Cc1ccc(C(N)=O)cc1 12547220 RJNFLPSMJOYKBB-UHFFFAOYSA-N 329.381 1.587 0 40 EDAB Cc1noc([C@@H](C)NC(=O)CCN2C(=O)COc3ccccc32)n1 58265866 VHLAKNIRSQOIKU-SNVBAGLBSA-N 330.344 1.371 0 40 EDAB O=C(NCCNc1ncccn1)c1cccc(N2CCCC2=O)c1 44942945 CUVXODJSQZFTNG-UHFFFAOYSA-N 325.372 1.445 0 40 EDAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cn(C)nc1C 71282223 HSQVUMYMWABDLC-LLVKDONJSA-N 331.376 1.920 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)N1 45037624 COKNZENSHCWOPA-UWVGGRQHSA-N 347.337 1.556 0 40 EDAB C[C@H]1CCCN(Cc2csc(NC(=O)C3=NN(C)C(=O)CC3)n2)C1 28677982 RIBIOEFKQPRUII-NSHDSACASA-N 349.460 1.922 0 40 EDAB CC1(NC(=O)CCN2CCN(c3ccccn3)CC2)CCOCC1 95434678 KNPPLOUMKCIMSE-UHFFFAOYSA-N 332.448 1.279 0 40 EDAB CN(Cc1ccc(F)cc1F)C(=O)NC[C@@H]1CCS(=O)(=O)C1 45654324 GMVBVKRUDFCTBO-JTQLQIEISA-N 332.372 1.541 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 45859628 HHIBMFMPTYBWLC-LBPRGKRZSA-N 334.401 1.920 0 40 EDAB Cc1nc2ccccc2c(=O)n1CCCC(=O)NC1CCC(O)CC1 46121759 QXNMAAWJBODZFQ-UHFFFAOYSA-N 343.427 1.905 0 40 EDAB COc1ccc(CCNC(=O)[C@@H](CC(C)C)NC(N)=O)cc1OC 2648623 PWRQJWSMFOMIFU-CYBMUJFWSA-N 337.420 1.446 0 40 EDAB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccco1 2664291 IGEILYGSUOCDIY-UHFFFAOYSA-N 342.351 1.880 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 22516307 QXMBGTGSCTYNCI-GOEBONIOSA-N 334.391 1.973 0 40 EDAB CCN(CC)c1ccc(CNC(=O)N[C@H](C)CN2CCOCC2)cn1 48251282 XALJSCBNMDKAAL-OAHLLOKOSA-N 349.479 1.448 0 40 EDAB Cn1cc(-c2nc(C(=O)NCc3nnc4ccccn34)cs2)cn1 48230863 IEEFTWYBCKVKII-UHFFFAOYSA-N 339.384 1.516 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)c1cc(C2CC2)nn1C(C)(C)C 48221404 JCDGOGDWYBGPGG-ZDUSSCGKSA-N 334.464 1.966 0 40 EDAB COc1ccc(CC(=O)N2C(=O)c3ccc(N)cc3C2=O)cc1OC 3357305 CCRMMNMNSDQLEP-UHFFFAOYSA-N 340.335 1.651 0 40 EDAB C[C@H]1CN(C(C)(C)CNC(=O)c2cccc(C(N)=O)c2)C[C@H](C)O1 48332665 BGQKRUOGNBFLMB-STQMWFEESA-N 333.432 1.403 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccc(Cl)cc1 12820192 JUYMHXOJJYPDJH-BXUZGUMPSA-N 344.864 1.464 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CC)cc1 408596337 SCQOINRLZVZVJX-NEPJUHHUSA-N 328.434 1.667 0 40 EDAB CN1C(=O)CN(NC(=O)Nc2ccc(F)cc2OCC2CC2)C1=O 96006824 NAJJFMNNVCZARC-UHFFFAOYSA-N 336.323 1.545 0 40 EDAB Cc1c(C(=O)c2ccc(Cl)cc2Cl)c(=O)n(C)c(=O)n1C 5060822 QQPNSUOPHSIQAS-UHFFFAOYSA-N 327.167 1.930 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CCCN(c2ncccn2)C1 65589428 DIROEEXRSVPAKM-ZIAGYGMSSA-N 326.404 1.021 0 40 EDAB CN1CCO[C@@H](CNCc2cc(Br)c3c(c2)OCO3)C1 65611336 QPLKPKWXPJVCKP-NSHDSACASA-N 343.221 1.598 0 40 EDAB CCNC(=O)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 65613865 NFBXDBGZIGRXQT-UHFFFAOYSA-N 335.257 1.035 0 40 EDAB CCc1c(C(=O)N2CC[C@H](C(N)=O)C2)nnn1-c1cccc(Cl)c1 67137761 WNAPPRUEQDWNHH-JTQLQIEISA-N 347.806 1.431 0 40 EDAB Cc1c(-c2cc(C(=O)N3C[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3)no2)cnn1C 71748995 DXVIUKSXAMIJIE-IKARSPCKSA-N 328.372 1.633 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c1C 7287701 MFLRUYTWGOVHGB-UHFFFAOYSA-N 331.372 1.881 0 40 EDAB CN(CCn1cccn1)C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 96425151 IQWPODBWFQHTJW-QGZVFWFLSA-N 346.406 1.554 0 40 EDAB COC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(C(C)C)CC1 68286191 NIYCUHFZXOOBNE-QGZVFWFLSA-N 347.459 1.943 0 40 EDAB CC[C@@H]1[C@H](O)N2[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]2C[C@@H]1[C@@H]3[C@@H]5O 67911384 CJDRUOGAGYHKKD-MSZBJDDXSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro O=S1(=O)C[C@H]2NC(=S)N(CCc3cc4ccccc4[nH]3)[C@@H]2C1 9547541 CZEFRXWUHIOMAN-ZIAGYGMSSA-N 335.454 1.066 0 40 EDAB CCCC(=O)N1CSC[C@H]1C(=O)NCc1cn2c(C)cccc2n1 68571610 OYIDXAUJLQRTFU-AWEZNQCLSA-N 346.456 1.961 0 40 EDAB COC(=O)[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1C)C(C)(C)C 72292281 ZCOMVYVMJJTEKO-CYBMUJFWSA-N 341.429 1.716 0 40 EDAB NC(=O)[C@@H]1CCCN1C(=O)CN[C@@H](c1ccccc1)C(F)(F)F 81344545 RISCMLUSUDRFDV-AAEUAGOBSA-N 329.322 1.356 0 40 EDAB C[C@H](O)[C@H]1CCCCN1Cc1cccc(S(=O)(=O)N(C)C)c1 71883603 LNQYYKOTCXJIGC-XJKSGUPXSA-N 326.462 1.672 0 40 EDAB COCCN1CCC[C@H]1CNS(=O)(=O)Cc1cccc(F)c1 68912629 UYGVLRFVZNHMSD-HNNXBMFYSA-N 330.425 1.356 0 40 EDAB O=C1CCN(C(=O)CCc2ccc(Br)cc2F)CCN1 71841955 MTNMPXRGQNGDJR-UHFFFAOYSA-N 343.196 1.869 0 40 EDAB Cn1nnnc1SCc1cccc(CSc2nnnn2C)c1 8100745 WFMMAQACBMIPIW-UHFFFAOYSA-N 334.434 1.318 0 40 EDAB C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)N1CCN(C)CC1 71921623 PRZXGZLWKZUMQB-LBPRGKRZSA-N 331.869 1.254 0 40 EDAB COC(=O)CCNC(=O)c1nnn(-c2cccc(F)c2)c1C1CC1 69414091 OOQVWEOIZHIEQL-UHFFFAOYSA-N 332.335 1.577 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2cc(C)no2)c(Cl)c1 69460563 ZEKQZASBHLDMDE-UHFFFAOYSA-N 344.776 1.902 0 40 EDAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@]1(C)CC1(Cl)Cl 72290104 XYTYUCSPMYDWNA-KWQFWETISA-N 325.261 1.950 0 40 EDAB Cc1ccc(CCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 69536182 JXMXBDCSQLVZHZ-GOSISDBHSA-N 343.471 1.868 0 40 EDAB CN(C)C[C@H]1CN(C[C@H](O)COc2ccc(Cl)cc2)CCO1 69665664 PVECWEFCMHVAID-HOCLYGCPSA-N 328.840 1.342 0 40 EDAB Cc1cccc(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1 69663025 CHSOKSMXEXOMCD-INIZCTEOSA-N 345.443 1.000 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)CCn2cc(C)cn2)CC1 69777220 CCWAWFXLCZKILH-UHFFFAOYSA-N 344.463 1.533 0 40 EDAB CC(C)CNC(=O)[C@H](C)OC(=O)c1ccc(N2CCC(O)CC2)cc1 69974870 YZXCIESGGRKPCD-AWEZNQCLSA-N 348.443 1.965 0 40 EDAB O=C(NOCCO)Nc1ccc(N2CCSCC2)c(Cl)c1 97164695 BHMAXHJJZSUDEJ-UHFFFAOYSA-N 331.825 1.939 0 40 EDAB CCNC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(C)C 19077877 LGHDDWFZZDBQAX-NSHDSACASA-N 342.446 1.130 0 40 EDAB Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@H](C(N)=O)CC[C@@H]2C)c1 97109337 ZCLIWDGPXNGREQ-BFHYXJOUSA-N 340.851 1.974 0 40 EDAB O=c1[nH]c2ccccc2c(=O)n1Cc1ccccc1N1CCOCC1 95434984 WCQNBYCNIRCFSC-UHFFFAOYSA-N 337.379 1.575 0 40 EDAB COCCC1(C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)CCC1 95440434 YRODCXMKDBGXDS-JWTNVVGKSA-N 349.519 1.963 0 40 EDAB Cc1ccc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1Cl 95443110 CFFORUHFQBZASE-LBPRGKRZSA-N 346.836 1.662 0 40 EDAB COC(=O)[C@H](O)C1CCN(c2ccc(Br)cn2)CC1 95431267 LAVUZONYXGMUEL-GFCCVEGCSA-N 329.194 1.594 0 40 EDAB O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 95365050 CMROFSGGZCQQCJ-LBPRGKRZSA-N 339.399 1.784 0 40 EDAB O=C1N[C@H](C(=O)NC2CCN(CCc3ccccc3)CC2)CS1 72907686 YSPYUBMUZMHXHF-HNNXBMFYSA-N 333.457 1.635 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(C[C@H](O)c3c(F)cccc3F)C2=O)cn1 72914592 XFVNWJGVBHQYDM-RISCZKNCSA-N 349.337 1.350 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)c3nncn3C)C2)cc1 95997254 SIOAIBFCMHVPDP-OAHLLOKOSA-N 341.415 1.639 0 40 EDAB CN1CCOC[C@H]1C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 95983148 ZHPYGNSGTISKNE-DLBZAZTESA-N 336.407 1.428 0 40 EDAB Cc1noc(C)c1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 95956339 WIKYNGNHUXVYRQ-MRXNPFEDSA-N 327.384 1.751 0 40 EDAB CC(C)N1CCC[C@@H](N2CCN(Cc3nc(C4CC4)no3)CC2)C1=O 95999526 HNHJIRPZTGJRNJ-OAHLLOKOSA-N 347.463 1.464 0 40 EDAB COc1ccccc1N1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 74716116 YGDHBZDJPSJRSG-UHFFFAOYSA-N 328.416 1.926 0 40 EDAB CCn1cc(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)cn1 89306104 WQENBSVMTZEHIJ-OAHLLOKOSA-N 328.372 1.269 0 40 EDAB CN(CCCCN(C)C(=O)C[C@H]1CCCO1)C(=O)C[C@H]1CCCO1 89340332 HCNKXDCBJJMOKA-HZPDHXFCSA-N 340.464 1.822 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-c2ccco2)[nH]c1=O 75125473 SMYMKINYWGRQFU-GHMZBOCLSA-N 329.356 1.361 0 40 EDAB CC(C)CC(=O)N[C@H](C(=O)N(C)C1CCS(=O)CC1)C(C)C 75148055 ILVMHCBAHJAGTH-NXNIQBKKSA-N 330.494 1.543 0 40 EDAB O=C(C[C@@H](O)c1cccc(F)c1)N1CCC[C@@H]1CN1CCOCC1 89774708 AQERTTLIEAWVGY-IAGOWNOFSA-N 336.407 1.572 0 40 EDAB O=C(NCCCN1CCCC1=O)Nc1ccn(-c2nccs2)n1 89884720 FXCXGVOECSPCCP-UHFFFAOYSA-N 334.405 1.463 0 40 EDAB CC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)NCCOC 89943623 VZGYKUBLYSKGQU-AWEZNQCLSA-N 342.461 1.801 0 40 EDAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(N)=O)cc1 408709756 HLGIUVRRHASGGP-UHFFFAOYSA-N 327.340 1.049 0 40 EDAB CNC(=O)CC1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1551494736 MUWBTPCBKDXEIH-NVXWUHKLSA-N 330.432 1.169 0 40 EDAB Cc1nn(C)cc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C 548682263 LOZAAOYYGVPBDK-KBPBESRZSA-N 348.426 1.147 0 40 EDAB COc1ccc(Br)cc1[S@@](=O)Cc1nncn1C 123481060 UISFRCYEVNERPG-GOSISDBHSA-N 330.207 1.894 0 40 EDAB O=C([C@H]1CCCN1c1nc2cccnc2s1)N1CCCNCC1 32918568 YJGJMHGSCGNLRF-CYBMUJFWSA-N 331.445 1.482 0 40 EDAB CN(CC(F)(F)F)C(=O)CNc1ncc(Br)cn1 78340101 NMZHCJNBGULWGJ-UHFFFAOYSA-N 327.104 1.672 0 40 EDAB CCn1cc(C(=O)N2C[C@H](c3ccccc3F)[C@@H](C(=O)O)C2)cn1 72346830 XUYHDRBQBKARAD-KGLIPLIRSA-N 331.347 1.983 0 40 EDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(CN)CN)cc1 218095291 KSJLTGNDNCCQGM-DLBZAZTESA-N 346.452 1.539 0 40 EDAB C[C@H](CN(C)C)NC(=O)[C@@H]1[C@@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C 72389863 MGOZMLRWYDSPIC-JUWZCLJNSA-N 329.400 1.140 0 40 EDAB COc1ccccc1-c1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)[nH]n1 42383856 MXBQZEJLGXAXRD-NSHDSACASA-N 349.412 1.250 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N(C)c3cnccn3)ccc21 225437271 ZWEYDYKQIUYBDC-UHFFFAOYSA-N 332.385 1.211 0 40 EDAB CN1[C@H]2CC[C@H]1CC(N1CCN(c3ncnc(N)c3Cl)CC1)C2 225483128 YSUHOFXXJNFSAY-RYUDHWBXSA-N 336.871 1.459 0 40 EDAB O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCn3ncnc3C2)C1 329977677 ZWUKKLFEALFFGK-OAHLLOKOSA-N 339.399 1.173 0 40 EDAB Cc1cc(NC(=O)Cc2noc(C(=O)NC3CCCCC3)n2)no1 40285428 RVJWWCUVZWEUSI-UHFFFAOYSA-N 333.348 1.610 0 40 EDAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)NCC(=O)N(C)C 226851935 KZEZBPQTQALVRP-CYBMUJFWSA-N 330.388 1.152 0 40 EDAB CN(C)CCN1C(=O)CC[C@@]12CCCN(Cc1cncn1C)CC2 96217724 IENSRWXDDXHLNA-GOSISDBHSA-N 333.480 1.329 0 40 EDAB C[C@@H]1[C@H](NC(=O)c2ccc3nn[nH]c3n2)CCN1Cc1ccccc1 582673469 HQHFMJGTOWFWKQ-TZMCWYRMSA-N 336.399 1.746 0 40 EDAB CCc1cnc(N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 96074836 NGWFJBLNHXTTJO-GOSISDBHSA-N 340.431 1.705 0 40 EDAB Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)n1 96055752 IMTMFLGYGTUABF-LSDHHAIUSA-N 325.372 1.144 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccco2)Cc2nccn2C1 96059123 YLSMMWIXFSNIDI-AWEZNQCLSA-N 332.404 1.213 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cn1 96402720 ARCFSNWHZXGLEE-ZMSDIMECSA-N 344.459 1.825 0 40 EDAB O=C(NCc1ccncc1)c1nc2c(o1)CN(C(=O)c1cccnc1)C2 96266031 VQJJZTYLSDGSAG-UHFFFAOYSA-N 349.350 1.551 0 40 EDAB COc1ccsc1S(=O)(=O)N1CCC[C@H](N2CCOCC2)C1 583651679 RAGJSJBJNOREPJ-LBPRGKRZSA-N 346.474 1.242 0 40 EDAB CS(=O)(=O)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 96113213 ONUQHQDIJBLKOE-SNVBAGLBSA-N 340.323 1.140 0 40 EDAB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2 95829439 GCAUESGDXGLLIE-NSHDSACASA-N 326.393 1.313 0 40 EDAB CS(=O)(=O)N1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCC2CC2)C1 96220172 VECATTZMRYKBRF-IAGOWNOFSA-N 342.505 1.407 0 40 EDAB COCCNC(=O)C[C@H]1OC[C@H]2CN(Cc3ccc(C)cc3)CC[C@H]21 96207264 UVCLLDUSCKDCAV-GUDVDZBRSA-N 346.471 1.985 0 40 EDAB Cn1cccc1C(=O)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96187190 CDTDULYDDCZJOF-KMFMINBZSA-N 327.384 1.871 0 40 EDAB CC(=O)c1nc(NS(=O)(=O)c2ncn(C)c2Cl)sc1C 585128526 DSBSKIUOUNDFJA-UHFFFAOYSA-N 334.810 1.842 0 40 EDAB COC(=O)c1occc1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 585124382 APTLTOLMOSKYBI-UHFFFAOYSA-N 349.387 1.933 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2sc(C)nc2C)n1 257317420 VJRHVLILGDKCTC-LBPRGKRZSA-N 334.401 1.778 0 40 EDAB COc1cccc(O[C@H]2CCN(C(=O)c3ccnn3C)CC[C@@H]2O)c1 257212354 CDAJDNPFEZHFJH-IRXDYDNUSA-N 345.399 1.473 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3coc(C)n3)CC2)C[C@]1(C)CO 257337724 YUCVFQGTYPMJRG-MRXNPFEDSA-N 335.404 1.209 0 40 EDAB O[C@@H]1[C@H](Oc2cccc(F)c2)CC[C@@H](NCc2ccccn2)[C@H]1O 257204295 ATWNIFALCDYVCV-BRSBDYLESA-N 332.375 1.642 0 40 EDAB Cn1cncc1CN1CCOC[C@@H](Cc2nccn3cccc23)C1 257303404 SHBSYFMWXSKCKR-HNNXBMFYSA-N 325.416 1.759 0 40 EDAB CCc1nnsc1C(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257204904 AWUNXUQCTONNFA-MRXNPFEDSA-N 347.444 1.257 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)C=CCCC2)cc1 606440466 WPQCXCJWCPHLMA-MRXNPFEDSA-N 338.429 1.138 0 40 EDAB CC(C)n1nccc1CN1CCOC[C@@H](Cc2cc(O)ncn2)C1 257208386 BLYVXWRYNPCWRW-AWEZNQCLSA-N 331.420 1.651 0 40 EDAB CNC(=O)c1ccc(C2CCN(CC3(O)CCOCC3)CC2)nc1 257341184 ZJDTUWBPJYKEGZ-UHFFFAOYSA-N 333.432 1.162 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@H](Cc2ccncn2)C1 257238004 HJDUJQLNEBHVFE-CQSZACIVSA-N 329.404 1.077 0 40 EDAB CCOc1ccc(CN2CCO[C@@H](c3cnccn3)C2)cc1CO 257258634 KUWFBQJHIRRYIT-GOSISDBHSA-N 329.400 1.941 0 40 EDAB CCn1cc(C(=O)N2CCO[C@H](c3cccc(N(C)C)n3)C2)cn1 257238913 HNCGPOWBKMURAT-HNNXBMFYSA-N 329.404 1.578 0 40 EDAB C[C@H](C(=O)NC[C@H]1CCCO1)n1cc(COc2ccccc2)nn1 257173555 QQFPBKLNGNZZKD-CZUORRHYSA-N 330.388 1.713 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2ncccc2C)n1 257266452 MDCLEYGGXXHGST-INIZCTEOSA-N 339.399 1.793 0 40 EDAB COCCN1CCC(Cc2nccnc2N2C[C@H](C)OC2=O)CC1 257304792 SNDVHKYGXSADEF-ZDUSSCGKSA-N 334.420 1.723 0 40 EDAB CNC(=O)CN1CCC(c2nccnc2Nc2ncccc2C)CC1 257319849 VUHPVQKFZCFENV-UHFFFAOYSA-N 340.431 1.849 0 40 EDAB CC1(C)Cc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)ccc2O1 262561862 WMWSFLVFLGBSFP-LLVKDONJSA-N 339.413 1.885 0 40 EDAB C[C@H](C[S@](C)=O)N(C)C(=O)Nc1nnc([C@@H]2CCCO2)s1 603161768 DHBDFLHEPXMVFM-KRNBLGIKSA-N 332.451 1.620 0 40 EDAB CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C 1615574367 QHVRISBOHHBUAE-TZDHZFECSA-N 346.431 1.156 0 40 EDAB COCC[C@@H](CO)NC(=O)[C@@H]1CCC=CN1C(=O)OC(C)(C)C 1615549137 KNORYIZZRKFRNH-STQMWFEESA-N 328.409 1.413 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)C3(F)CCC3)C[C@@H]21)c1ccncc1 575403123 DCGUVGRFOJYKDK-RBSFLKMASA-N 347.390 1.177 0 40 EDAB O=C(CO[C@@H]1CCOC2(C1)CN(C(=O)C1CCC1)C2)N1CCCC1 585093695 PTIPHEIFJKCVEJ-OAHLLOKOSA-N 336.432 1.186 0 40 EDAB CCCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585095694 CIULQRNKQHAAAC-HNNXBMFYSA-N 334.420 1.901 0 40 EDAB CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 585289754 NGQHERYDGMCLHY-FOUWAKMZSA-N 332.448 1.270 0 40 EDAB CCn1cc(C(=O)N2CCO[C@@](CO)(Cc3ccccc3)C2)cn1 585269579 ZUCLSWZRRNDKRT-SFHVURJKSA-N 329.400 1.349 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)S(=O)(=O)c1ccc(F)c(C)c1 585291263 OBXIPIJNOZCJSU-KFWWJZLASA-N 347.408 1.183 0 40 EDAB Cn1cnc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)c1Cl 27957385 PFSPQIRUNISSDG-SNVBAGLBSA-N 327.793 1.876 0 40 EDAB CC(C)C[C@@]1(C)NC(=O)N(C[C@H](O)COc2ccc(F)cc2)C1=O 71855246 IUBQDZGUZWLADX-SUMWQHHRSA-N 338.379 1.922 0 40 EDAB COc1ncccc1NC(=O)N1CCC(CN2CCOCC2)CC1 44972773 XQRYOYZOOYPBEK-UHFFFAOYSA-N 334.420 1.666 0 40 EDAB NC(=O)CCN(Cc1ccccc1)C(=O)c1cnn(-c2ccccc2)n1 53337170 ZCKHTUFAGUUHGL-UHFFFAOYSA-N 349.394 1.785 0 40 EDAB C[C@@]1(NC(=S)Nc2ccc3c(c2)OCCO3)CCS(=O)(=O)C1 53579010 XWQDFNVECRIDJL-CQSZACIVSA-N 342.442 1.321 0 40 EDAB CCc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)s1 51137580 SMDKQHIRMMYZFX-ZDUSSCGKSA-N 338.454 1.685 0 40 EDAB Cn1ccnc1COc1ccc(CN2CCN(CCO)CC2)cc1 59369044 XHADHLCOOUXWMC-UHFFFAOYSA-N 330.432 1.109 0 40 EDAB COC(=O)[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)C(C)(C)C 75141150 RQNHHHAWPXMRJK-CYBMUJFWSA-N 341.429 1.549 0 40 EDAB COC[C@@H](C)N1CCN(C(=O)c2cnn(-c3ccncc3)c2C)CC1 90631512 IKSNPQFSPNHFKZ-CQSZACIVSA-N 343.431 1.368 0 40 EDAB C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@@H]1CCOC2(CCOCC2)C1 108459976 QLBJLMHADQUELS-ARFHVFGLSA-N 341.448 1.805 0 40 EDAB NC(=S)c1nnc2c(Br)c(-c3ccccc3)nn2c1N 5604443 RQQYXGVMUDEFMS-UHFFFAOYSA-N 349.217 1.770 0 40 EDAB Cc1ccc(S(=O)(=O)Cc2noc([C@@H]3C[C@@H](O)CN3C)n2)cc1 15675054 JZRUHUDRIJDJED-YPMHNXCESA-N 337.401 1.089 0 40 EDAB biogenic,in-vitro CCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@H]21 19529726 ZJHQRZLSQPLXSE-MRHIQRDNSA-N 334.347 1.023 0 40 EDAB COCCC(=O)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 19593055 JVFHOLDZVNWCHX-QWHCGFSZSA-N 327.384 1.349 0 40 EDAB O=C(CC1CC1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148519 QWIWRZSTJKWNFS-UHFFFAOYSA-N 347.337 1.604 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2OC)n1C 5130924 NCDYNOSSGGVEIO-VIFPVBQESA-N 349.416 1.427 0 40 EDAB COc1ccc(C(=O)Nc2ccccc2C(=O)O[C@@H](C)C(N)=O)cc1 5969267 JPTRLBSPJVDPJU-NSHDSACASA-N 342.351 1.978 0 40 EDAB O=C(COc1ccc(F)cc1)NCCn1cc(Br)cn1 28244854 JRJSRHBRPSGEDP-UHFFFAOYSA-N 342.168 1.980 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CC[C@@H](Oc3ccccn3)C2)c1 238922333 UDYFOMKWPMDUEY-CYBMUJFWSA-N 336.417 1.701 0 40 EDAB COC(=O)[C@H]1CCCCN1C(=O)c1ccc(OC2CCOCC2)nc1 244947600 DNWMRONFBHWMFP-OAHLLOKOSA-N 348.399 1.807 0 40 EDAB COc1ccc2nnc(CNC(=O)c3ccc4ncccc4c3)n2n1 245053520 OXYDLKXPNOIIBT-UHFFFAOYSA-N 334.339 1.611 0 40 EDAB O=C(Cc1cn[nH]c1)NC1CC2(CCN(Cc3cccnc3)CC2)C1 2056226123 KVFBCWWYWRPBHX-UHFFFAOYSA-N 339.443 1.908 0 40 EDAB Cc1noc(CN2CCN(c3nccc(N4CCCC4)n3)CC2)n1 2087124878 VGLSBYUANSWTDG-UHFFFAOYSA-N 329.408 1.090 0 40 EDAB CCOC(=O)CSc1ncnc2c1nnn2-c1ccc(OC)cc1 4166785 JQGCBXLKDBRUDZ-UHFFFAOYSA-N 345.384 1.874 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)no1 10332677 IXNKQNOSMVSGIO-CYBMUJFWSA-N 334.351 1.480 0 40 EDAB Cc1ccc(C(=O)N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)o1 2055747592 LJNUCZJSMQXZMW-NVXWUHKLSA-N 345.399 1.918 0 40 EDAB CCN=c1cc(C)nc(N2CCN(Cc3cccc(OC)c3)CC2)[nH]1 2069627392 PWEKBATZUMKEBI-UHFFFAOYSA-N 341.459 1.970 0 40 EDAB C[C@](O)(CNC(=O)C(=O)Nc1ccccc1Cl)Cc1ccco1 206621081 CNYVOVPNTVSPHJ-MRXNPFEDSA-N 336.775 1.981 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 618255597 TWJPBQQCUOYPLZ-DCGLDWPTSA-N 340.383 1.813 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CCO1 50857297 GBSQHUGMYXRJJQ-JTQLQIEISA-N 337.426 1.127 0 40 EDAB O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccccn2)CC1 40499048 PGAMODBHAZYYCI-UHFFFAOYSA-N 331.322 1.958 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2cccc(N3CCCC3=O)c2)n1 40473916 YVQICBGVFOWKII-UHFFFAOYSA-N 344.396 1.550 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1Cc1ccc(-n2cccn2)cc1 40511266 HWUVUWYABNOOMV-QGZVFWFLSA-N 348.472 1.776 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccc(C(N)=O)cc1)c1cccc(F)c1 32728893 QHSJNHUVOGAOGN-MRXNPFEDSA-N 329.375 1.957 0 40 EDAB C[C@@H]1c2cccn2CCN1Cc1nnc2n(C)c(=O)c3ccccc3n12 21579471 YQEOKEFCAYIMGZ-CYBMUJFWSA-N 348.410 1.960 0 40 EDAB O=S(=O)(NCC[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 32906195 XRAZOUWVBREHAP-GFCCVEGCSA-N 327.402 1.695 0 40 EDAB Cn1ccs/c1=N/C(=O)[C@H]1CSCN1C(=O)c1ccccc1 102934034 ZPSIKXMGLVGCLH-IUDBQGPFSA-N 333.438 1.729 0 40 EDAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2Sc3ncnn3C2=O)cc1 556291 WRZAQHCKPITACT-NSHDSACASA-N 346.368 1.598 0 40 EDAB COc1ccccc1CN(C)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 42298050 ABROCJIJDRWYTB-UKRRQHHQSA-N 333.432 1.239 0 40 EDAB CC(C)CC1(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCCC1 104249872 ORPPFUZGHAAIIN-UHFFFAOYSA-N 331.420 1.794 0 40 EDAB COC(=O)CCCNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 23016518 LSUDIEFQBSDVSI-GFCCVEGCSA-N 338.429 1.670 0 40 EDAB O=c1[nH]c(CCN2CCN(c3nccs3)CC2)nc2ccccc12 54173185 LBXQWQBVNVSJOV-UHFFFAOYSA-N 341.440 1.744 0 40 EDAB C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1F)C1CCCC1 77843462 XIVICPXLKDOXLC-INIZCTEOSA-N 326.343 1.961 0 40 EDAB CN(C)CCCN(CCCN(C)C)C(=O)c1ccc(N(C)C)nc1 78716936 LKXXNICBMBAVTB-UHFFFAOYSA-N 335.496 1.493 0 40 EDAB CCC[C@@H]1CN(C(=O)[C@@H](C)OCC)CCN1C(=O)[C@H](C)OCC 79056214 UCFONTCPWGIVOV-QLFBSQMISA-N 328.453 1.676 0 40 EDAB O[C@H](CNC[C@@H]1CCCN1c1cccnn1)COc1ccc(F)cc1 106906372 ZHBFAOLTCFUBEE-JKSUJKDBSA-N 346.406 1.614 0 40 EDAB CC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 25388149 MYQRYOGEQCNRNJ-UHFFFAOYSA-N 346.456 1.528 0 40 EDAB C[C@H](C(=O)Nc1ccc(CCN2CCOCC2)cc1)n1cncn1 56040013 MVIXYOXDTYMRJQ-CQSZACIVSA-N 329.404 1.353 0 40 EDAB CCOC(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1 43890747 PECMPYZGEWSASH-UHFFFAOYSA-N 331.390 1.325 0 40 EDAB CCCCN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 57566814 UPMVSIFAMUHLQO-UHFFFAOYSA-N 340.474 1.798 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 10511433 FULFFDUBPBXAHZ-OAHLLOKOSA-N 333.365 1.869 0 40 EDAB CNc1ccccc1C(=O)OCC(=O)NC(=O)NCc1cccs1 8486860 DECLHXKTPNWPHR-UHFFFAOYSA-N 347.396 1.973 0 40 EDAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCC(=O)O)ccc1C 95377552 UUJPGWBRYNIUCD-UHFFFAOYSA-N 342.417 1.230 0 40 EDAB C[C@H]1C[C@@H](N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)C(=O)O1 44741846 JQJYDZSEEDBVPM-GOEBONIOSA-N 330.428 1.812 0 40 EDAB O=C(c1cnc2ccccc2n1)N1CCCN(C[C@H]2CCCO2)CC1 44916225 POGLAFUFYBYQAT-OAHLLOKOSA-N 340.427 1.957 0 40 EDAB COc1cc(F)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1OC 27931810 YBOIBWFXQATZMX-AOOOYVTPSA-N 333.381 1.641 0 40 EDAB COC(=O)[C@@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)C(C)C 12621282 BIKFHQZRKKWTPX-ZDUSSCGKSA-N 331.390 1.180 0 40 EDAB CC(C)CN1C(=O)N[C@](NC(=O)c2ccccc2)(C(F)(F)F)C1=O 2207679 OYBUCLVFDWGZCW-AWEZNQCLSA-N 343.305 1.883 0 40 EDAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](COC[C@@H]5CO5)(O4)[C@@H]3C2=O)cc1 100315170 XFUHVCZVGQJFMO-NTODXPRQSA-N 341.363 1.223 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 22540063 DZFJLVIWJOTQTE-YPMHNXCESA-N 328.409 1.675 0 40 EDAB O=C(Cn1nnn(-c2ccccc2)c1=O)N1CCC(c2ccccc2)=N1 11751247 HHJKNQZTCOJJED-UHFFFAOYSA-N 348.366 1.066 0 40 EDAB CCNC(=O)CN1CCN(Cc2nc(-c3cccs3)no2)CC1 29670396 NAUKOOUZBYCYEF-UHFFFAOYSA-N 335.433 1.052 0 40 EDAB Cc1ccc(-c2nnc(CN3CCN(C(=O)N(C)C)CC3)o2)cc1 29926383 CEUIWLSGMYLDPO-UHFFFAOYSA-N 329.404 1.844 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)C2 108530739 ATPVNNPZKGUIIZ-UHFFFAOYSA-N 337.445 1.246 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@H]3CCCO3)C2)[C@@H](c2ccc(Cl)cc2)N1 12345669 ZWMSNEVBNKGRGL-IUODEOHRSA-N 347.802 1.969 0 40 EDAB C[C@@H]1CN(C(=O)NCc2ccc(Cn3cncn3)cc2)C[C@@H](C)O1 48237001 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Cc1ccc(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)n1C 65394010 DIIUXFSESCWVFP-AWEZNQCLSA-N 328.420 1.592 0 40 EDAB CCS(=O)(=O)CCNC(=O)c1ccc(N2CCCCC2=O)cc1 65490267 LPXHOPUZMFDSMA-UHFFFAOYSA-N 338.429 1.368 0 40 EDAB O=C(Cn1nc2n(c1=O)CCCCC2)NC12CC3CC(CC(C3)C1)C2 14075988 LAPGZXLYWQJLDT-UHFFFAOYSA-N 344.459 1.856 0 40 EDAB CCCOc1ccc(OCC(=O)Nc2nc(CC(N)=O)cs2)cc1 14084092 YUWJYORZARUNTD-UHFFFAOYSA-N 349.412 1.977 0 40 EDAB CCN(CC)c1ccc(CNC(=O)N2CCN(C(C)=O)CC2)cn1 65593344 YUDXNBHGOISMGU-UHFFFAOYSA-N 333.436 1.302 0 40 EDAB CC(C)(C)C(=O)N1CCC(C(=O)NCCNc2cnccn2)CC1 65590784 KWGCVDKJNMYPAS-UHFFFAOYSA-N 333.436 1.289 0 40 EDAB Cc1ccc(CNC(=O)NCC(=O)NCCOc2ccccc2)cc1 14158437 SCNXVTOJTLOOBF-UHFFFAOYSA-N 341.411 1.989 0 40 EDAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccn2)cc1 95950221 LHHRRBKBTWOWGK-UHFFFAOYSA-N 341.414 1.133 0 40 EDAB O=C(CCNS(=O)(=O)c1cccs1)NCc1ccc(F)cc1 4597971 CDMZOBOXYWLYBD-UHFFFAOYSA-N 342.417 1.872 0 40 EDAB O=S(=O)(Cc1ccccc1F)Nc1ncn(Cc2ccncc2)n1 95941007 FGWHMVHIRNICJS-UHFFFAOYSA-N 347.375 1.802 0 40 EDAB COc1nc(C)ccc1CNC(=O)N1CCN(c2nccs2)CC1 66126906 CBPCLWYHEIMMGB-UHFFFAOYSA-N 347.444 1.887 0 40 EDAB COc1ccc(-n2cnnc2SCC(=O)N2CCOCC2)cc1 6621950 AEWQAYCRFSOMBC-UHFFFAOYSA-N 334.401 1.227 0 40 EDAB CCN(C1CCN(C(=O)[C@@H](C)OCCC(C)C)CC1)S(C)(=O)=O 66855292 DBGQHCIVUZRANL-CQSZACIVSA-N 348.509 1.710 0 40 EDAB CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2nc(C(C)(C)C)no2)C1=O 95439418 WZRUOXNGOKOZMM-INIZCTEOSA-N 346.391 1.458 0 40 EDAB Cc1cc(C(=O)NCC[C@@H]2CN(C3CCOCC3)CCO2)ccc1O 67490434 JEZULPZPWTUKJN-QGZVFWFLSA-N 348.443 1.700 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CN(CCS(C)(=O)=O)C(C)(C)C)C1 95428213 QULGEEWMMPYKBK-OKILXGFUSA-N 332.510 1.636 0 40 EDAB C[C@H]1Cc2ccccc2N1CC(=O)N1CCN(c2ncccn2)CC1 7360036 IKJDWNMAGPRBIT-HNNXBMFYSA-N 337.427 1.576 0 40 EDAB CN1CC(=O)N(CCCC(=O)NCC2(c3ccccc3)CC2)C1=O 71794566 MIPSRKRHEIAWEM-UHFFFAOYSA-N 329.400 1.509 0 40 EDAB Nc1cc(C(=O)OCC(=O)NC(=O)Cc2ccccc2)ccc1Cl 7779529 MUHARYJFYXSTND-UHFFFAOYSA-N 346.770 1.965 0 40 EDAB O=C(Cn1cnnn1)N[C@H](COCc1ccccc1)c1ccccc1 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CN1CCO[C@@H](CNC[C@H](O)COc2cc(Cl)ccc2Cl)C1 69776680 KDOMAGHHMFARFH-STQMWFEESA-N 349.258 1.653 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cccc3c2ccn3C)CC1 71881884 FVFNPSRTOBLURC-HNNXBMFYSA-N 345.443 1.334 0 40 EDAB COCCCNC(=O)CN1CCN(C(=O)Nc2ccccc2C)CC1 71911678 WQDTWZOYDGGUQZ-UHFFFAOYSA-N 348.447 1.297 0 40 EDAB CN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(Cl)nc(N(C)C)c1 71903886 PRNCCMMIZORFNO-SNVBAGLBSA-N 342.852 1.404 0 40 EDAB CC(C)(CNC(=O)CNC1(c2ccccc2)CC1)N1CCOCC1 71904300 XZYFTTFSVIMNLD-UHFFFAOYSA-N 331.460 1.492 0 40 EDAB CC[C@@H](NC(=O)c1cn(C)nc1C(C)(C)C)C(=O)N1CCOCC1 92814802 ZJIDNOGRKMFUOD-CYBMUJFWSA-N 336.436 1.085 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@H]3COc4ccccc4C3)CCO2)n1 89289719 KJZGPVUFGAKPJE-UKRRQHHQSA-N 342.399 1.518 0 40 EDAB C[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1cccs1 9950921 BLDLTNHSNSNGHW-SNVBAGLBSA-N 329.381 1.629 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)CN1C1CC1 84136572 WQYQQOXIZMDSIV-WCQYABFASA-N 330.388 1.621 0 40 EDAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N(C)CCN1CCOCC1 72274319 MNWJNDLANZIKHV-INIZCTEOSA-N 333.432 1.711 0 40 EDAB Cc1ccc(CN(C)C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)o1 72284215 SDWVMIFKDIPBAC-JSGCOSHPSA-N 338.404 1.917 0 40 EDAB Cc1cnc([C@H](C)CNC(=O)N[C@@H](C)CN2CCN(C)CC2)s1 97110256 PMZFEHKFHDGBBG-OLZOCXBDSA-N 339.509 1.490 0 40 EDAB CN1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)CC1 97364275 LROBLGADABVBBA-UHFFFAOYSA-N 341.814 1.763 0 40 EDAB COCCN1CC[C@H](CNC(=O)N[C@@H]2CCN(c3ccccc3)C2)C1 75134115 NSQOTJUZPOPJNL-IAGOWNOFSA-N 346.475 1.533 0 40 EDAB CN(C)[C@@H](CNC(=O)Nc1cnn(C(C)(C)C)c1)c1cnn(C)c1 89761598 WULKBGTZEVNDLL-AWEZNQCLSA-N 333.440 1.796 0 40 EDAB Cn1ccnc1C[C@H]1CCCN(C(=O)Nc2cccn(C)c2=O)C1 89761405 ZGCIFDZJWWKSND-CYBMUJFWSA-N 329.404 1.605 0 40 EDAB O=C(CN1CCc2ccccc21)NCCCc1nnc2n1CCCC2 89861320 RELRVYWLWDJVMK-UHFFFAOYSA-N 339.443 1.726 0 40 EDAB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cc2c([nH]c1=O)CCC2 89845585 YWBMCDZIQXUNSZ-CYBMUJFWSA-N 337.379 1.399 0 40 EDAB CCN(C)S(=O)(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 89960877 PBZPGTRTNZCDIH-LLVKDONJSA-N 326.340 1.525 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N2CCC(N3CCN(C)C3=O)CC2)on1 75604104 RKCWZIMHDMLNRL-GFCCVEGCSA-N 335.408 1.142 0 40 EDAB Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H]2CCCO2)n1 306143052 XRUCLTAPZOZRRB-ARFHVFGLSA-N 329.400 1.271 0 40 EDAB CCCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20486712 IURDSRJRPIXVAO-ZDUSSCGKSA-N 346.836 1.783 0 40 EDAB CN1CCc2nc(NC(=O)Cn3c(=O)oc4ccccc43)sc2C1 32667782 SXLLKQREDFRHJX-UHFFFAOYSA-N 344.396 1.678 0 40 EDAB O=S(=O)(NCCC1=CCCCC1)N1CCC2(CC1)OCCO2 120361011 BMTYECJXEQPQLI-UHFFFAOYSA-N 330.450 1.550 0 40 EDAB COc1cccc(CNC(=O)N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)c1 1553415944 KPIGCVKYBKSLOP-HUUCEWRRSA-N 329.404 1.065 0 40 EDAB C[C@@]1(CNC(=O)N2CC(=O)N(C3CC3)C2)COc2ccccc2O1 528109411 JMOUYOHMXHMYJE-QGZVFWFLSA-N 331.372 1.190 0 40 EDAB NC[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218058764 PUTKWDGOBAMMIB-HRCADAONSA-N 336.844 1.936 0 40 EDAB 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NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 40399335 DECCIFCSFWBYQR-QMMMGPOBSA-N 333.735 1.078 0 40 EDAB C[C@H]1COCCN1[C@H](C)CN[C@H]1CCS(=O)(=O)c2ccccc21 195568604 JRGBBMBWNQEOKL-YCPHGPKFSA-N 338.473 1.604 0 40 EDAB Cc1nn2c(nnc3c(=O)n(CCCO)ccc32)c1-c1ccccc1 40390897 YEUSTLVWNXWFPE-UHFFFAOYSA-N 335.367 1.797 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CNCCCO1 584342013 ZZBAHFPBQXSHDG-NSHDSACASA-N 334.825 1.005 0 40 EDAB C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC[C@@H](N2CCCCCC2)C1 195574504 APJNTNUMPIAWMX-ARFHVFGLSA-N 330.494 1.834 0 40 EDAB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)CC1=O 96239417 QEVBELNPPOUIDF-QAPCUYQASA-N 347.415 1.421 0 40 EDAB Cc1nc(C)n(C[C@H]2CC[C@]3(COCCN(c4ncccn4)C3)O2)n1 96100469 DAEGBTZNKNZTTR-WBVHZDCISA-N 344.419 1.140 0 40 EDAB Cc1cccc(COC[C@H]2C[C@H]3[C@@H](C2)OCCN3S(C)(=O)=O)n1 96250766 JGWNSJNZDWQWRX-CWRNSKLLSA-N 340.445 1.346 0 40 EDAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@H]1C[C@H]1C(=O)O 584907984 GTGUPWMXZWPTBT-JKSUJKDBSA-N 327.384 1.950 0 40 EDAB O=C(CNc1ccc(Cl)cc1F)NC[C@H]1CCS(=O)(=O)C1 95417922 PREMULIJDSNCMN-SECBINFHSA-N 334.800 1.442 0 40 EDAB Cn1c2ccccc2c2c1cc(C(=O)NCCO)n2-c1ncccn1 96037294 UENZASQGWQILOU-UHFFFAOYSA-N 335.367 1.634 0 40 EDAB CC(C)c1nnc2n1C[C@H](NC(=O)c1cccnc1N(C)C)CC2 95957980 VJPKOYNWMLMDIW-GFCCVEGCSA-N 328.420 1.607 0 40 EDAB CN(C)C(=O)[C@@H]1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@H]2O1 96042909 JAICPMXWXARBJF-RRQGHBQHSA-N 332.400 1.483 0 40 EDAB O=C(CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N(C1CCCC1)C1CC1 583619682 GQXBZMFYEKBIBB-KSZLIROESA-N 336.476 1.782 0 40 EDAB CN(C)C[C@@H]1CN(S(=O)(=O)c2cccs2)Cc2nccn2C1 96188236 ACRQMUVRBRYLOZ-LBPRGKRZSA-N 340.474 1.327 0 40 EDAB Cc1cc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)on1 97238288 LNBVYBKJMXDXMO-INIZCTEOSA-N 329.400 1.870 0 40 EDAB O=C(N1CCCC1)N1CCOC[C@]2(C[C@@H](CN3CCCC3)CO2)C1 96052049 XFPOZRIMDGRQFK-WMZOPIPTSA-N 337.464 1.406 0 40 EDAB CCOC(=O)[C@]12CCCN(Cc3cccnc3)C[C@H]1CN(C(C)=O)C2 96056009 QBWGHQAXJRTXIR-HKUYNNGSSA-N 345.443 1.705 0 40 EDAB 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O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc2c(c1)COC2=O 95474404 WDGVCJFYVTYFLJ-UHFFFAOYSA-N 335.319 1.775 0 40 EDAB Cc1cc(NC(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)no1 585119288 AKTAHFIQPIMYBZ-UHFFFAOYSA-N 328.328 2.147 0 40 EDAB Cc1cc(CN2Cc3ccnn3[C@H](CC(=O)NCC3CC3)C2)no1 247946235 WMJVOEQPQYKAOH-MRXNPFEDSA-N 329.404 1.653 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CN(C2CCCC2)Cc2ccnn21 247479927 ILMUEENHHXQFAB-KRWDZBQOSA-N 325.416 1.894 0 40 EDAB Cn1cc(C(=O)N2C[C@@H]3OC[C@H](CCOc4cccnc4)[C@@H]3C2)cn1 248160549 XKHYHUAQSFFOTG-JQFCIGGWSA-N 342.399 1.371 0 40 EDAB Cc1cccc(N2CCC[C@H](NC(=O)c3cnn4cccnc34)C2)n1 257298846 RNMLZYPERIPIEG-AWEZNQCLSA-N 336.399 1.832 0 40 EDAB Nc1cnc(C[C@@H]2CCCN(C(=O)CCN3CCCC3=O)CC2)cn1 257330879 XQJTURSPMFEFLX-CQSZACIVSA-N 345.447 1.243 0 40 EDAB CN(CCC(=O)N1CCO[C@H](c2cnccn2)C1)Cc1cccnc1 257342374 ZOHVDYAFFVVKSL-KRWDZBQOSA-N 341.415 1.294 0 40 EDAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)CC 252513925 AWWJMCMDZGGYOW-SCRDCRAPSA-N 331.821 1.501 0 40 EDAB 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Cc1ccsc1CNC(=O)NCCCN1CCC[C@H](C(N)=O)C1 71856595 YIAFYLSJXGCLRG-ZDUSSCGKSA-N 338.477 1.443 0 40 EDAB COc1ccc2c(c1)C[C@@H](C(=O)NCCc1cnc(O)nc1)CO2 899717933 FHTMXTLLOFTOLD-CYBMUJFWSA-N 329.356 1.101 0 40 EDAB CN(Cc1cc(Br)cs1)CN1C(=O)C(=O)N(C)C1=O 48621244 SOAYIXTWZKYXTQ-UHFFFAOYSA-N 346.206 1.321 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cncc(Br)c1 49099153 UWSWJHXZXYQVBQ-DTWKUNHWSA-N 326.194 1.570 0 40 EDAB CCOC(=O)N[C@@H]1CCCN(CN2C(=O)c3ccccc3C2=O)C1 54517775 CARPJJQUZVUOOC-GFCCVEGCSA-N 331.372 1.451 0 40 EDAB C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CCO1 40485408 GKELAPMGITVSCM-NSHDSACASA-N 329.356 1.709 0 40 EDAB CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)nn1 56985560 AVRKGJUPBRYCKX-OAHLLOKOSA-N 345.378 1.483 0 40 EDAB CN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 75117520 XJCDPQMMEQJAKK-CYBMUJFWSA-N 346.408 1.301 0 40 EDAB Cc1nccc(N2CC[C@@H](Oc3cccnc3)[C@H](CC(N)=O)C2)n1 1615143631 NNKUQSIQANIAGL-UKRRQHHQSA-N 327.388 1.329 0 40 EDAB C/C=C/C(=O)O[C@@H]1C=C[C@H](OC(C)=O)[C@@H](O)CCC(=O)O[C@H]1C 1772591552 DXWCPEHGKOCJTG-OSIWCDGGSA-N 326.345 1.049 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)CSc2ccccn2)cc1 11710542 KFMQEEJPPIZWJF-UHFFFAOYSA-N 337.426 1.138 0 40 EDAB O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)N(Cc2cccs2)C1 15674048 ASNOSCRTYSJIDH-MFKMUULPSA-N 329.385 1.896 0 40 EDAB biogenic,in-vitro C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C 19575838 BEERMGACMMQTOF-NXNVCVFFSA-N 332.444 1.733 0 40 EDAB O[C@@H]1C[C@H](CNC2CCC3(CC2)OCCO3)N(Cc2ccccc2)C1 161734100 DQBQLMYMPUFTRU-RTBURBONSA-N 346.471 1.897 0 40 EDAB O=C(O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)C1 13260570 LFFHOQVMXCECRV-HOTGVXAUSA-N 344.411 1.401 0 40 EDAB Cc1cc(N2CCC(CNC(=O)C(=O)Nc3ccon3)CC2)ccn1 245188070 ZZARLIGIYDVBDD-UHFFFAOYSA-N 343.387 1.349 0 40 EDAB CN1CCN(c2ncc3c(n2)[C@H]2CC[C@H]3N(C(=O)C3(F)CC3)C2)CC1 1565545231 BVVOQOKIYZEGEB-GXTWGEPZSA-N 345.422 1.491 0 40 EDAB O=C([C@@H]1CCOC1)N1CCO[C@@H]2C[C@@H](COCc3cccnc3)C[C@@H]21 1565556503 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EDAB CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)s2)CC1 43979675 TXTDUXPAVUUXQK-UHFFFAOYSA-N 336.866 1.803 0 40 EDAB Cc1ccc(CCC(=O)NCC2(C(N)=O)CCOCC2)cc1Cl 40088161 HGISIEZTBCMRQA-UHFFFAOYSA-N 338.835 1.979 0 40 EDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)NCC1CC1 40493417 KFNZRKHMOJOMFP-LBPRGKRZSA-N 344.415 1.802 0 40 EDAB O=C(NCCN1C(=O)CSC1=O)c1cncc(Br)c1 40554739 FLINGJVOCOSWSS-UHFFFAOYSA-N 344.190 1.269 0 40 EDAB Cn1ncc2c1CCC[C@@H]2NC(=O)NCC(=O)Nc1cccc(F)c1 51278547 NCCUVWNMIORKTL-AWEZNQCLSA-N 345.378 1.875 0 40 EDAB Cc1cccc(C(=O)NCCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 101572168 YHWCMIVVLLYHCT-NXNVCVFFSA-N 338.407 1.922 0 40 EDAB CC(C)[C@H](CNS(=O)(=O)N1CCCCCC1)N1CCOCC1 22514683 UPUHEBIYHJPUKP-HNNXBMFYSA-N 333.498 1.054 0 40 EDAB COc1ccc(-c2nc(Cn3cnc4c(cnn4C)c3=O)no2)cc1 32789042 PLOSTRCIXXTURY-UHFFFAOYSA-N 338.327 1.237 0 40 EDAB COC(=O)[C@H](CN1CCCCC1)[C@](O)(c1nccn1C)C(F)(F)F 32765195 SCSDWNVBPVRPEB-FZMZJTMJSA-N 349.353 1.445 0 40 EDAB Cc1csc(N2CCN(C(=O)CCCNc3ncccn3)CC2)n1 52641648 COKQVBRMGOWLLR-UHFFFAOYSA-N 346.460 1.782 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CC2)n(C)c1 32901063 JPXGNBNTESPZDV-UHFFFAOYSA-N 347.440 1.395 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)C[C@@H](NC(N)=O)c1ccccc1C 33213619 NQYAXGCGMGYJAL-CABCVRRESA-N 346.431 1.222 0 40 EDAB CCc1ccc(N2CN=c3s/c(=C\c4ccco4)c(=O)n3C2)cc1 521737 UKTDTCXPJHOOGN-YBEGLDIGSA-N 339.420 1.949 0 40 EDAB COCCOc1ncccc1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 54084260 IYJZFHJLOOFWDT-AWEZNQCLSA-N 346.387 1.735 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)c1 104519756 DSYFZUCVCQIYJC-UHFFFAOYSA-N 328.372 1.049 0 40 EDAB CN(C)C(=O)c1cccc(NCC(=O)NC(=O)NC2CCCC2)c1 23902323 XLXNMCQVFPKVAU-UHFFFAOYSA-N 332.404 1.569 0 40 EDAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN1CCC(=O)NC1=O 84726584 ZLWZGZVXNSVQOX-LLVKDONJSA-N 346.387 1.095 0 40 EDAB CCOc1cccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1 54844309 FKCOJOVTEIATQV-UHFFFAOYSA-N 326.418 1.193 0 40 EDAB CN1C(=O)[C@@H]2[C@H]3O[C@H]([C@H]2C1=O)[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]31 105631768 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345.424 1.995 0 40 EDAB CC[C@H](NC(=O)c1ccc(O)nn1)c1ccccc1OCC(=O)NC 58264162 HEDNQDQWAKSGIJ-LBPRGKRZSA-N 344.371 1.188 0 40 EDAB CC(C)S(=O)(=O)[C@H](C)C(=O)NCCOc1ccc2c(c1)CCC2 58227974 PIGJYLDCGCRJMI-CYBMUJFWSA-N 339.457 1.882 0 40 EDAB O=C(NCc1nnc2n1CCC2)NC[C@@H]1CCN(c2ccccc2)C1 44953150 QQFPXUVMRYJITK-AWEZNQCLSA-N 340.431 1.550 0 40 EDAB Cc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c2ccc(F)cc2n1 44911948 PTWOTCPNZMPREJ-LLVKDONJSA-N 336.388 1.847 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)NCCc2ccccc2F)cn1 58341396 QUOQXFCUEGYJSS-UHFFFAOYSA-N 337.376 1.988 0 40 EDAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc2c1OCCCO2 56044449 RIBUMOKENLEGEW-ZDUSSCGKSA-N 334.397 1.814 0 40 EDAB COCCCNC(=O)CN1CCCN(Cc2cccs2)CC1 48060186 QAYCECIJIJWBDG-UHFFFAOYSA-N 325.478 1.409 0 40 EDAB Cn1cncc1CN1CC[C@@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 108530438 UGJPFRYBEDATQC-GJZGRUSLSA-N 330.388 1.129 0 40 EDAB O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@H]1O2 110679975 CFFWICGLEKGASO-BSDSXHPESA-N 342.439 1.761 0 40 EDAB OCCn1ncc2c(NC[C@@H](c3ccco3)N3CCCC3)ncnc21 97199769 VTZMUYKGWWMUSH-AWEZNQCLSA-N 342.403 1.661 0 40 EDAB Cc1nc(COc2ccccc2C(=O)N[C@H](C)Cn2ccnc2)no1 48280141 IASNWNXMFXZXMX-GFCCVEGCSA-N 341.371 1.972 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cnc3n(c2=O)CCS3)n1 48288276 BGYUUWMRNYKWRT-JTQLQIEISA-N 347.444 1.228 0 40 EDAB C[C@H]1CCCCN1CCNC(=O)c1cccnc1N1CCOCC1 48221227 IAJKLYBQGJMLCM-HNNXBMFYSA-N 332.448 1.522 0 40 EDAB O=C1CC[C@H](C(=O)NCc2ccnc(OCC(F)(F)F)c2)CN1 48220951 NZOPYEZCPLTQNH-JTQLQIEISA-N 331.294 1.165 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 108956026 VYAXDGKOZKVPIZ-SDADXPQNSA-N 342.505 1.989 0 40 EDAB CCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 48324513 HDPXNROZRNFGSI-LBPRGKRZSA-N 346.836 1.009 0 40 EDAB O=C(O)CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 101899542 YQEZNLIYNZMDQA-BETUJISGSA-N 343.383 1.404 0 40 EDAB NS(=O)(=O)Cc1ccc(CNc2nnnn2-c2ccccc2)cc1 12984516 AQNZGVNGFUZJSV-UHFFFAOYSA-N 344.400 1.063 0 40 EDAB O=C1CN(C(=O)c2ccc(CNCc3ccsc3)cc2)CCN1 48717004 NFGGKJUDBGVUGJ-UHFFFAOYSA-N 329.425 1.610 0 40 EDAB CC(C)Nc1cccc(C(=O)NC[C@](C)(O)CN2CCOCC2)c1 72311735 ZLPNYGHFKGAWOK-SFHVURJKSA-N 335.448 1.320 0 40 EDAB O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)NC2CCCC2)c2ccccc21 4046799 CAJZZHSZCXZUPK-WMLDXEAASA-N 328.368 1.905 0 40 EDAB biogenic COc1ccc([C@H](C)N[C@H]2CCS(=O)(=O)C2)cc1Cn1cccn1 95419509 VEUKMAQNENMEGV-BBRMVZONSA-N 349.456 1.778 0 40 EDAB O=C1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)[C@@H]2CCCC[C@@H]2N1 95412483 VKEATLMFADHIQA-DZGCQCFKSA-N 343.362 1.290 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 65415655 VYXJEQVEVUMBGF-AWEZNQCLSA-N 339.399 1.566 0 40 EDAB CN1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1 65565435 XKQXMSVQZPZXCI-UHFFFAOYSA-N 339.321 1.674 0 40 EDAB CCOc1ncccc1C(=O)N1CCN(CCN2CCCC2)CC1 65516459 VUNLQDBPBMHSGO-UHFFFAOYSA-N 332.448 1.334 0 40 EDAB CC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCC4)CC1 9304295 UXKZWLKMEWBFCL-UHFFFAOYSA-N 332.429 1.152 0 40 EDAB COc1cc([C@@H]2CC(=O)Nc3c2c(O)nc2ncnn32)ccc1O 4625691 BBWFDYKWZYGGIS-QMMMGPOBSA-N 327.300 1.018 0 40 EDAB O=C(NCCCn1ccnc1)c1nc(-c2ccc3c(c2)OCO3)no1 4625799 BSNOSJDNZFLEGS-UHFFFAOYSA-N 341.327 1.482 0 40 EDAB Cn1ncc(C(=O)OCCNC(=O)c2cccnc2)c1-n1cccc1 72310651 SSURIYGPZLHDRU-UHFFFAOYSA-N 339.355 1.193 0 40 EDAB CCCN(CC(=O)OCC)C(=O)C[C@H](C)NC(=O)C1CCCC1 66147847 UAHRTAXRGIPXBG-ZDUSSCGKSA-N 326.437 1.873 0 40 EDAB COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCC(N)=O)cc1OC 7007508 HDKBCTOCYYPDAX-UHFFFAOYSA-N 338.360 1.331 0 40 EDAB O=C(CSc1nnc(C2CC2)o1)N1CCN(c2ncccn2)CC1 7290097 YGNFBZBSVGMZAQ-UHFFFAOYSA-N 346.416 1.178 0 40 EDAB O=C(NCCC(=O)N1CCCCCC1)N[C@H]1c2ccccc2C[C@H]1O 71862755 HYIIIZHDPQZLLY-AEFFLSMTSA-N 345.443 1.737 0 40 EDAB COc1ccc(CCNC(=O)c2ccc3nnnn3c2)cc1OC 72406364 FVBBCAXSJXIFOJ-UHFFFAOYSA-N 327.344 1.114 0 40 EDAB CC(C)(C)C[C@H](NC(=O)CN1CC(=O)NC1=O)c1ccc(F)cc1 71897894 CCGQZBLQKNDOFZ-ZDUSSCGKSA-N 335.379 1.971 0 40 EDAB COc1ccc(CN2CCCN(C(=O)Cn3cc(C)cn3)CC2)cc1 71821493 RMQCSTCORMDPFG-UHFFFAOYSA-N 342.443 1.935 0 40 EDAB CNc1cc(N2CCC[C@H]2CNc2ncnc3c2cnn3C)ncn1 71859444 LFNMAKIZNMJQHZ-NSHDSACASA-N 339.407 1.276 0 40 EDAB O=C(CN1CCCN(C(=O)c2cccs2)CC1)NCC(F)(F)F 71900620 SCEWOCUKMLUTGJ-UHFFFAOYSA-N 349.378 1.575 0 40 EDAB CN(CC1CCCC1)C(=O)NCCS(=O)(=O)NCC1CCC1 69126204 UQSGIIIURVDRGW-UHFFFAOYSA-N 331.482 1.538 0 40 EDAB O=C(CS(=O)(=O)[C@H]1CCCc2ccccc21)NC[C@@H]1CCCO1 71972199 UKXHADPXUWPTAN-HOCLYGCPSA-N 337.441 1.774 0 40 EDAB COCCN1CCN(Cc2noc(-c3ccc(OC)cc3)n2)C[C@@H]1C 70020683 OFHLSCBHILZYSI-AWEZNQCLSA-N 346.431 1.898 0 40 EDAB Cc1cnn(C[C@H]2CCCN2CC(=O)Nc2c(C)nn(C)c2C)c1 70040097 PGACJGRWAPAOPT-OAHLLOKOSA-N 330.436 1.645 0 40 EDAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(CC(N)=O)c12 17071538 VMKNSPHKELCEFE-QPEQYQDCSA-N 342.424 1.376 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NCC(=O)N1CCc2sccc2C1 69483965 IZEIDUZWHVPSBV-GFCCVEGCSA-N 347.444 1.217 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@H]2Cn2nc(C)nc2C)n(C)n1 69491555 LVKFBNSJNZTYKA-AWEZNQCLSA-N 331.424 1.040 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cn1 69437430 FHDMKFITQVSYSO-UHFFFAOYSA-N 349.394 1.865 0 40 EDAB Cc1ccc(CN2CCC(CNS(=O)(=O)N(C)C)CC2)cc1 69421012 FBFTUURKIOXFHY-UHFFFAOYSA-N 325.478 1.603 0 40 EDAB NC(=O)NC(=O)CN(Cc1ccc2c(c1)OCO2)c1ccccc1 69557922 NLRUYQRMTCFBHO-UHFFFAOYSA-N 327.340 1.617 0 40 EDAB O=C(NCCc1nccn1C(F)F)C(=O)Nc1ccc(F)cc1F 69560390 ZVPXYHVQYQUNTL-UHFFFAOYSA-N 344.268 1.854 0 40 EDAB O=C(NCCc1ccn(-c2ccccc2)n1)N1CCC[C@H](CO)C1 69655828 AHLPOWJIRCVKEY-HNNXBMFYSA-N 328.416 1.829 0 40 EDAB COc1ccc(-c2noc(CCC(=O)N(CC(N)=O)C(C)C)n2)cc1 69615695 QMOYXJKBXQXICD-UHFFFAOYSA-N 346.387 1.400 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Nc2cc(C)ccc2OC)CC1 69699490 NSLQGTWONDKUDQ-UHFFFAOYSA-N 341.433 1.503 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)N[C@@H]1CCCOC1 69626241 YUZBWLGVCOECBD-CYBMUJFWSA-N 339.417 1.428 0 40 EDAB Cc1ccc([C@H](NC(=O)CN[C@@H]2CCc3ncnn3C2)C2CC2)cc1 69743510 NSGOEQZURRABOV-APWZRJJASA-N 339.443 1.758 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N[C@H](C)c2ccccc2Cl)CC1 69843089 XJLPQHHCBVCNKS-UONOGXRCSA-N 339.867 1.516 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN([C@H](C)C(=O)Nc3cc(C)on3)C2)n1 69847622 WKHHDJMQANGKJF-DOMZBBRYSA-N 346.435 1.931 0 40 EDAB CCCN1CCC[C@@H]1C(=O)N1CCCN(Cc2nccn2C)CC1 69901547 IDGODAUJJKLRRQ-MRXNPFEDSA-N 333.480 1.329 0 40 EDAB COCCc1noc(CN[C@@H]2CCCN(c3ccc(C)nn3)C2)n1 69921115 LBCVKILYXUICFY-CYBMUJFWSA-N 332.408 1.116 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cccn2CCc2ccccc2)CC1 69902214 RWKIMOOTESYIND-KRWDZBQOSA-N 341.455 1.869 0 40 EDAB Cc1c(C)c2ccc(OCC(=O)NCCc3cnc[nH]3)cc2oc1=O 8765279 LNIAGGFSOWAEEN-UHFFFAOYSA-N 341.367 1.871 0 40 EDAB biogenic COCCOc1cccc(C(=O)N(C2CC2)[C@H]2CC(O)=NC2=O)c1 96703777 QVEAZPNAORYPCU-AWEZNQCLSA-N 332.356 1.572 0 40 EDAB CN(C)c1ncc(CN2CCC[C@@H]2C(=O)N2CCSCC2)s1 92672869 QFXJHJPHDZERJY-CYBMUJFWSA-N 340.518 1.749 0 40 EDAB CC(=O)c1cccc(NC(=O)N[C@@H](CC(C)C)C(=O)NCCO)c1 84575075 MFZOBZPDVYRAMB-HNNXBMFYSA-N 335.404 1.534 0 40 EDAB C[C@@H](CNC(=O)CNC(=O)c1cc(-c2ccccc2)on1)N(C)C 71186201 FTHSFFFDYMSKHS-LBPRGKRZSA-N 330.388 1.138 0 40 EDAB Cc1ccc(C[C@H](C)C(=O)NCCN2CCS(=O)(=O)CC2)cc1 97048135 MZLWMKYPNURFSZ-HNNXBMFYSA-N 338.473 1.020 0 40 EDAB Cc1cnc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)s1 72238010 VUSKUHSTYAGZQT-KBPBESRZSA-N 331.397 1.989 0 40 EDAB CN(C(=O)Cc1cc(F)ccc1F)[C@H]1CCC[C@H]1S(C)(=O)=O 85294412 XNLFETRYHUPWEG-UONOGXRCSA-N 331.384 1.931 0 40 EDAB Cc1ccc(CNC(=O)COC(=O)c2c(C)cc[nH]c2=O)cc1F 95995841 FCWMEESMLUIKSO-UHFFFAOYSA-N 332.331 1.604 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)c1 95943743 BNWPBHBLVHYBBD-INIZCTEOSA-N 343.445 1.674 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2c[nH]c3ccccc23)cc1 74715498 QAYJJBDALCMSJF-UHFFFAOYSA-N 329.381 1.745 0 40 EDAB COC(=O)CC1(NCc2cccc(-n3cccn3)c2)CCN(C)CC1 89375164 RYNNQRURHVEEMI-UHFFFAOYSA-N 342.443 1.989 0 40 EDAB C[C@@H]1OCC[C@@H]1NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 89592531 HTQCLJCNDKTLPG-BBRMVZONSA-N 337.851 1.756 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NCCc3cnc(C4CC4)nc3)cc12 89568217 PBIZXUJAKFDDBD-UHFFFAOYSA-N 336.399 1.917 0 40 EDAB Cc1cc(NC(=O)N(C)CCCn2ccnc2)ccc1-n1cnnn1 89591453 BJMZBVWBOVFNNE-UHFFFAOYSA-N 340.391 1.721 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c(Cl)cc1F 89570432 KCHNUKRCTODWDQ-JTQLQIEISA-N 348.827 1.928 0 40 EDAB CCC[C@@](C)(NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)O 89949440 XSQWIDRRLSVITA-IAGOWNOFSA-N 347.371 1.114 0 40 EDAB CCN(CCNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1)C1CC1 89969199 YCRHOZFSEFYQCY-KRWDZBQOSA-N 345.443 1.015 0 40 EDAB Cc1cccc(N2CCN(CCC(=O)NCc3cnn(C)c3)CC2)c1 76061111 NZRLEEKTXBSXOA-UHFFFAOYSA-N 341.459 1.557 0 40 EDAB CCn1cc(CN2CCC[C@H](CNC(=O)C3(N)CCCC3)C2)cn1 67725931 AMTUINHTWFNWFI-OAHLLOKOSA-N 333.480 1.503 0 40 EDAB O=C(O)[C@@H](CNC(=O)N1CCOCC1)Cc1ccc(Cl)cc1 548207900 OQPAGEIIKBESMM-GFCCVEGCSA-N 326.780 1.625 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCCCO)ccc1NC1CCCC1 217593066 VKYHSXSTTYHUFN-UHFFFAOYSA-N 342.417 1.400 0 40 EDAB O=C(C[C@@H](O)Cc1ccccc1)N1CCC[C@@H]1c1ccc(O)nn1 530077214 AQJFPQWNIFKPMC-GOEBONIOSA-N 327.384 1.839 0 40 EDAB Cc1cc(I)cnc1NC(=O)[C@H]1COCCO1 75402858 CLMLLZCMFXNGJQ-SECBINFHSA-N 348.140 1.349 0 40 EDAB CC(C)c1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)[nH]n1 189678234 DHRPIZYGWQYZEC-ZIAGYGMSSA-N 346.431 1.913 0 40 EDAB O=C1[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)N1CC[C@@H]1CCCO1 189349293 YKEYCAOSZDGTLV-YESZJQIVSA-N 328.412 1.673 0 40 EDAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)C(=O)NC1CCCC1 70636524 ULMNWCJMSBBIRX-HNNXBMFYSA-N 344.333 1.612 0 40 EDAB Cc1nc(CN(C)C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)no1 183342248 LWQWAXLJBHORFA-QMMMGPOBSA-N 343.309 1.883 0 40 EDAB CC(C)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)O 217629569 MGIXMWCGHJXYFU-LLVKDONJSA-N 342.417 1.662 0 40 EDAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)CN)n1 72360890 UKGMNUZOMPDRBD-CQSZACIVSA-N 326.404 1.854 0 40 EDAB Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)no1 36100960 NKUDQQZUBCAQMY-JTQLQIEISA-N 341.364 1.569 0 40 EDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)C)cc1C 39986154 YMKNKECJBQSCSB-UHFFFAOYSA-N 342.461 1.929 0 40 EDAB C[C@H](CNC(=O)N1CCO[C@H](C)C1)CN(C)C(=O)OC(C)(C)C 78926325 ZDYGWMKLZDPWJE-CHWSQXEVSA-N 329.441 1.920 0 40 EDAB COC(=O)CN1CCO[C@H](COc2ccccc2Br)C1 217496125 ZTBJVQOMMCBNIG-NSHDSACASA-N 344.205 1.702 0 40 EDAB C[C@H](c1ccsc1)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1 183835934 ACLVLYCJXBHZKV-GFCCVEGCSA-N 340.474 1.549 0 40 EDAB O=C(c1cccs1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccncc1 503786566 IRVHCUNEGCCMBX-LSDHHAIUSA-N 329.425 1.869 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NCC2(CO)CC2)[C@H]1c1ccc(F)cc1 223225842 PPFQPDAXPXHXNX-GOEBONIOSA-N 334.391 1.624 0 40 EDAB COc1ccc(CN2CC[C@H]2CNC(=O)c2ccc(C(N)=O)[nH]2)cc1 529837440 VJVZLEMCTODXBK-ZDUSSCGKSA-N 342.399 1.127 0 40 EDAB CSC[C@@H](CCO)NS(=O)(=O)c1cccc2c1OC(C)(C)C2 225709040 XSKZRENENGHVHL-GFCCVEGCSA-N 345.486 1.792 0 40 EDAB CN(C)c1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)cn1 575603623 LLITXOGOANRKGD-UONOGXRCSA-N 337.445 1.337 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)NCCN3CCCCC3)CC2=O)c1 46854646 ZHSBXJYOLXHYNP-HNNXBMFYSA-N 345.443 1.650 0 40 EDAB O=C(O)c1[nH]c(=O)n(-c2ccccc2F)c(=O)c1CN1CCCCC1 222663223 OKKUMQYZTWEKBV-UHFFFAOYSA-N 347.346 1.349 0 40 EDAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1C 226860011 GCDDWXMSLLUWER-UHFFFAOYSA-N 330.365 1.988 0 40 EDAB Cc1cnc(N2CCC3(CC2)CN(C(=O)c2ccco2)CCO3)nc1 96158904 QPDFRIKWVMGPDQ-UHFFFAOYSA-N 342.399 1.890 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@@H]2CCN(c3ncc(F)cn3)C[C@@H]2O1 96043253 XGQCCGYJDJDVQV-GLQYFDAESA-N 346.362 1.509 0 40 EDAB CO[C@@H]1CCN(C(=O)CC2CC2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96108582 XWROOGPNASEYIW-RCCFBDPRSA-N 329.444 1.929 0 40 EDAB O=C(c1cocn1)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96217820 YVVXTYVVBDMQBP-GUYCJALGSA-N 329.356 1.912 0 40 EDAB O=C(c1ccsc1)N1CCC2(CC1)C[C@@H](N1CCOCC1)CO2 96158668 GNGZCFTVQGEONK-OAHLLOKOSA-N 336.457 1.844 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@@H](S(C)(=O)=O)C2)c1C 96098103 JXBXYFRKJJUOKE-CQSZACIVSA-N 345.486 1.728 0 40 EDAB O=C(Cn1c(-c2ncccn2)noc1=O)c1ccc(F)c(Cl)c1 96411909 NXWFTZOKRGTZAN-UHFFFAOYSA-N 334.694 1.969 0 40 EDAB O=C([C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1)N1CCOCC1 96057490 CGNNMAWQMIAQRG-BZUAXINKSA-N 336.457 1.729 0 40 EDAB COc1cc(N2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)ncn1 96224531 JBOOKUSYACFGFQ-GOSISDBHSA-N 339.399 1.904 0 40 EDAB CCOC[C@@H]1CN(C(=O)c2cc(C)nn2CC)Cc2nnn(CC)c21 96045532 OMPLYEBCJGJSCV-ZDUSSCGKSA-N 346.435 1.599 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@@]2(CCCN(c3nncs3)C2)C1 96226633 LYMYPFDEJVZJOD-INIZCTEOSA-N 347.444 1.388 0 40 EDAB Cc1ncoc1C(=O)N1CCOC[C@H]1c1nccc(NCC2CC2)n1 96219387 LTLABEJGASUCFI-ZDUSSCGKSA-N 343.387 1.809 0 40 EDAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCSCC3)OCC(=O)N2C)cc1 96181583 ZHKTUFRANGEOQL-CVEARBPZSA-N 334.441 1.469 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)CCc2cc(F)ccc2Br)C1 97372646 GZDBZXUKXZYGLU-JTQLQIEISA-N 343.196 1.855 0 40 EDAB Cc1ccc(C(N)=O)cc1NC(=O)NC[C@H]1CC(C(F)(F)F)=NO1 583651243 JHVTWNSTYFELSA-SECBINFHSA-N 344.293 1.923 0 40 EDAB O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617849 ZJGMREUNNKISLD-KRWDZBQOSA-N 338.371 1.114 0 40 EDAB Cc1cnc(CNC(=O)[C@H]2C[C@H]3[C@H](CCN3Cc3ccoc3)O2)cn1 96183729 MMKPRVYYPBMLAV-YESZJQIVSA-N 342.399 1.426 0 40 EDAB O=C(Cn1nc(-c2cccs2)n(C2CC2)c1=O)NC[C@@H]1CCCO1 90591282 SJTOADUZYJQVSZ-LBPRGKRZSA-N 348.428 1.403 0 40 EDAB COCC(=O)N1CCC[C@]2(CCN(Cc3cccc(C)n3)C2=O)C1 96048828 MODJQKWXGMNKCL-SFHVURJKSA-N 331.416 1.378 0 40 EDAB COc1ncnc2c1CN(C[C@H](O)COc1cc(C)cc(C)c1)CC2 97200461 LKEWRQREWPHLNO-HNNXBMFYSA-N 343.427 1.900 0 40 EDAB CSCC1(CN2CCC(N3CCS(=O)(=O)CC3)CC2)CCC1 97094659 SUEWLTRZDUWHMO-UHFFFAOYSA-N 346.562 1.715 0 40 EDAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(-n2ccnc2C)nc1 90683067 BAMJGEPMVIDMFH-UHFFFAOYSA-N 333.373 1.981 0 40 EDAB O=C(Cn1ccccc1=O)NCCN1CC[C@H](c2ccccc2)C1 97815375 XVAOJTXWRMYEDC-KRWDZBQOSA-N 325.412 1.454 0 40 EDAB O=C(N[C@H]1CC[C@@H](CO)CC1)c1cccc(S(=O)(=O)C(F)F)c1 585087392 PHLMBIAAIFCCMV-KLPPZKSPSA-N 347.383 1.964 0 40 EDAB Cc1cnc(C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cn1 96454889 GXTDNZXGSPFOQZ-UHFFFAOYSA-N 326.404 1.591 0 40 EDAB CC[C@@H]1C(=O)NCCN1C[C@H](CC(F)F)NC(=O)OC(C)(C)C 585117520 JEZKGQJPZUAVOE-WDEREUQCSA-N 335.395 1.745 0 40 EDAB COCCOc1cccc(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)c1 585130604 WCXJEEMBDZNXST-RHSMWYFYSA-N 335.448 1.076 0 40 EDAB CC(C)[C@H](O)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 585118908 HRGDGJSXJARCCO-UDMGLPGGSA-N 334.416 1.763 0 40 EDAB COCCN1C[C@H](COC)C2(CCN(Cc3ccccn3)CC2)C1 247829397 HCNWYXGZFGUJML-QGZVFWFLSA-N 333.476 1.888 0 40 EDAB COCCNC(=O)c1cn2c(n1)[C@@H](C)N(Cc1nc(C)cs1)CC2 247979537 WQLDWVKTELIHLL-GFCCVEGCSA-N 349.460 1.601 0 40 EDAB O=C(c1ncccn1)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 247875298 STFZSAYAXGDOIL-AWEZNQCLSA-N 342.424 1.789 0 40 EDAB COCC[C@H]1CO[C@H]2CN(S(=O)(=O)c3ccccc3C)C[C@@H]12 248115321 ZWYZMQIRFOSABZ-KKUMJFAQSA-N 325.430 1.667 0 40 EDAB O=C(N[C@@H]1CCCNC1=O)c1ccnc(Cc2ccccc2F)c1 257337588 YTKLTYINWQQMFO-MRXNPFEDSA-N 327.359 1.820 0 40 EDAB COc1ccccc1[C@H]1CN(S(=O)(=O)c2cccnc2)CCN1C 257282290 OTDWFRGOWLPXOK-MRXNPFEDSA-N 347.440 1.768 0 40 EDAB Cc1ncc(CNS(=O)(=O)C2CCCC2)c([C@@H]2CCCN2C)n1 257260924 LFBUTRKYUHMRPK-HNNXBMFYSA-N 338.477 1.914 0 40 EDAB CC(C)c1noc(CCNC(=O)[C@@H]2CN(C)C[C@H]2C(F)(F)F)n1 585655539 MTQYBTRODCGSAP-NXEZZACHSA-N 334.342 1.592 0 40 EDAB C[C@@]1(O)CCN(C(=O)c2cccnn2)C[C@H]1Oc1cccc(F)c1 257201923 AJQIUPZMWPXRCV-NVXWUHKLSA-N 331.347 1.660 0 40 EDAB C[C@H]1c2nc(C(=O)NCc3ccco3)cn2CCN1c1ncccn1 253592564 XBOQCCWZTOGENN-LBPRGKRZSA-N 338.371 1.777 0 40 EDAB C[C@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C[C@@H](C)O1 252507082 XRVWOVCXERNCHB-UWWPHRKUSA-N 332.400 1.221 0 40 EDAB Cc1cc([C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)nc(C)n1 257208547 BMPOEBHBBAKGBW-HNNXBMFYSA-N 334.401 1.251 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCO[C@H](c3cnccn3)C2)c1 257237332 HGAGECYQAIUEMZ-INIZCTEOSA-N 329.356 1.708 0 40 EDAB CC(=O)NCc1cnc(CC2CCN(Cc3cc(C)on3)CC2)cn1 257260214 LBVMCVXBGFAXAE-UHFFFAOYSA-N 343.431 1.864 0 40 EDAB CCOCC(=O)N(C)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257259741 KZTMZXIZFWHOQH-VYDXJSESSA-N 325.380 1.981 0 40 EDAB CC(=O)NCc1cnc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)[nH]1 257205150 AXWIUOWWPSGXQI-AWEZNQCLSA-N 348.428 1.250 0 40 EDAB O=C(c1cc2c(nc1O)CCC2)N1CCO[C@H](c2cnccn2)C1 257208825 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40 EDAB CNC(=O)C[C@@]1(OC)COCCN(Cc2ccc3cc[nH]c3c2)C1 585279507 NHXTWXQOCGHPKF-SFHVURJKSA-N 331.416 1.521 0 40 EDAB Cn1ccnc1C(=O)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 585276989 TWDHHYBPXWEZSL-QGZVFWFLSA-N 333.363 1.005 0 40 EDAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc2nc(O)c(C)nn12 69743212 GZBYWIJBYZUWBC-JTQLQIEISA-N 344.400 1.961 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 69973837 VXRZHLCIHZFKEP-OAHLLOKOSA-N 334.416 1.377 0 40 EDAB CCOc1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)NC)CC1 72311942 SKVYAAFIUSWVGV-CYBMUJFWSA-N 334.420 1.369 0 40 EDAB CC(C)N1CCN(C(=O)COc2cccc(S(C)(=O)=O)c2)CC1 55247243 DLBLOOPCJFKYIK-UHFFFAOYSA-N 340.445 1.022 0 40 EDAB CCn1ccnc1CN1CCN(c2ccc(CN(C)C)cn2)CC1 75131791 ZZGZDOIIBGVOJY-UHFFFAOYSA-N 328.464 1.682 0 40 EDAB O=C(CCN1C(=O)CSc2ccccc21)Nc1c[nH]ccc1=O 40555044 QNYSJNOVCISECS-UHFFFAOYSA-N 329.381 1.842 0 40 EDAB C[C@H](NC(=O)NCc1ccon1)[C@H]1CN(Cc2ccccc2)CCO1 83233106 ABOBIZVFTWRAKM-WMLDXEAASA-N 344.415 1.763 0 40 EDAB CO[C@]1(CNC(=O)C(=O)NCCC2=CCCCC2)CCSC1 96364688 UNMQRTQXTAPUOZ-INIZCTEOSA-N 326.462 1.631 0 40 EDAB Nc1ccc(-c2nnn(CC(=O)NCc3ccc(F)cc3)n2)cc1 13997793 RMYJWMDYSCWNIF-UHFFFAOYSA-N 326.335 1.378 0 40 EDAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCc1cccnc1 14000998 LVAMJXYSAGFPMY-UHFFFAOYSA-N 333.351 1.589 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)c(C)c1 16681672 JUURVPHQEFXZCY-UHFFFAOYSA-N 328.434 1.540 0 40 EDAB COc1cccc(CN2CCN(CC(=O)N3CCCC3)[C@@H](C)C2)c1 19575643 KSOLVTPDBULBOH-INIZCTEOSA-N 331.460 1.824 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 19933785 JKWXRTJZBIHKIZ-CQSZACIVSA-N 345.509 1.734 0 40 EDAB CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1 1848355541 UONUWTPNILZAJA-NEPJUHHUSA-N 329.322 1.111 0 40 EDAB C[C@]1(C(=O)O)CCC[C@H]1NS(=O)(=O)c1cnn(-c2ccccc2)c1 548223523 ZTAOKGHBLGJEEC-ZBFHGGJFSA-N 349.412 1.794 0 40 EDAB Cc1nnsc1C(=O)NC[C@H](c1ccco1)N1CCSCC1 244909745 ATMKDBWHDFKDSQ-LLVKDONJSA-N 338.458 1.959 0 40 EDAB CO[C@@H]1CCCN(S(=O)(=O)c2cccnc2OCC(F)F)C1 583651860 UHXZGUNMHVGHCJ-SNVBAGLBSA-N 336.360 1.525 0 40 EDAB CCc1ncnc(N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)c1F 1888853879 OTSFUEVTJLWIAI-UHFFFAOYSA-N 346.410 1.792 0 40 EDAB Cc1noc(CN(C)C2CN(c3nc(O)c(F)c(C(C)C)n3)C2)n1 1888864058 DNAWTTAJKAJVRN-UHFFFAOYSA-N 336.371 1.457 0 40 EDAB O=C(Nc1cccnc1)[C@@]1(F)CCN(c2ncnc3n[nH]cc23)C1 1888914191 LYRRLVCXLVKYOY-OAHLLOKOSA-N 327.323 1.305 0 40 EDAB CCN=c1nc(N2CCN(Cc3cccc(OC)c3)CC2)cc[nH]1 1889130250 BENLUYCCLQWCKU-UHFFFAOYSA-N 327.432 1.661 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)/C=C/c1cnn(C)c1 22601194 KVCGPXKICLINLQ-CMDGGOBGSA-N 348.428 1.000 0 40 EDAB CN1C(=O)COC[C@@H]2CCN(C(=O)CCc3cccc(F)c3)C[C@@H]21 2037985555 NPURWHYPLHTHSW-HOCLYGCPSA-N 334.391 1.464 0 40 EDAB COc1cnc(C(=O)N2CC[C@H]3CN(C(C)C)CCO[C@H]3C2)nc1 1565546028 RBAYUIVBGAJJNJ-ZFWWWQNUSA-N 334.420 1.057 0 40 EDAB COC1(CC(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)NCC(C)C)C2)CCC1 1565545449 FHOKPFAANIBUNU-RBSFLKMASA-N 338.448 1.334 0 40 EDAB COc1ccc(CNC(=O)c2c(O)nc3scc(C)n3c2=O)cc1 10166710 OBKISFGPXFJFKO-UHFFFAOYSA-N 345.380 1.709 0 40 EDAB Cc1cc(CN2CCC(C(=O)N(C)C)(n3ccnc3)CC2)n(C)n1 2055713353 DJIFLUSKSNFLNT-UHFFFAOYSA-N 330.436 1.005 0 40 EDAB CN1c2cc(F)c(NC(=O)CC(F)(F)F)cc2N(C)S1(=O)=O 575610785 AKTJDVMNPRTTHL-UHFFFAOYSA-N 341.286 1.847 0 40 EDAB Cc1nccc(O[C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)n1 585147098 HMPXBAXJOLMJAJ-AWEZNQCLSA-N 341.367 1.736 0 40 EDAB O=C(c1ccc2nccnc2c1)N1CCC(Cn2cnccc2=O)CC1 585636899 BDOXSUBSJFAEAH-UHFFFAOYSA-N 349.394 1.739 0 40 EDAB CSc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cc(C)on2)cc1 96103248 GMBYYWAVXZHBIN-LBPRGKRZSA-N 335.385 1.493 0 40 EDAB CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)C1=COCCO1)n2C 100878872 BLTKELQIZGYOGM-WUKNDPDISA-N 348.380 1.732 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 538891 CCSGGTFSSREGNN-VWPFQQQWSA-N 333.409 1.982 0 40 EDAB O=C(c1ccc(-n2cccn2)nc1)N1CCN(c2ccccc2O)CC1 40050248 AAOHTLWOTXQAJJ-UHFFFAOYSA-N 349.394 1.935 0 40 EDAB CC(C)NC(=O)CNC(=O)C(=O)Nc1cccc2c(O)cccc12 40283586 JOMWLCBXFWSLDD-UHFFFAOYSA-N 329.356 1.125 0 40 EDAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCN(S(C)(=O)=O)CC2)o1 40475542 IRGQYLFHUZUANC-JSGCOSHPSA-N 340.445 1.439 0 40 EDAB COc1ccc(C)cc1[C@H](C)NC(=O)NCCCNS(C)(=O)=O 40498437 XGRSMSGCAYLXEJ-LBPRGKRZSA-N 343.449 1.303 0 40 EDAB O=C(CCc1ncc(-c2ccccc2F)o1)NCCN1CCOCC1 40488862 JOLIIIISWYQJGR-UHFFFAOYSA-N 347.390 1.862 0 40 EDAB COc1c(C)cnc(CNS(=O)(=O)N2CCCC[C@H]2C)c1C 51162763 NUSQZQIDBLBVGD-GFCCVEGCSA-N 327.450 1.916 0 40 EDAB C[C@@H](C(=O)NCc1ccc(N2CCCCCC2)nc1)S(C)(=O)=O 40541530 YDTMSWOQCAXPLD-ZDUSSCGKSA-N 339.461 1.511 0 40 EDAB CC(C)NC(=O)CS(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 40528937 JGARMZLIPDIXSV-UHFFFAOYSA-N 340.376 1.920 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cn1 40510521 AFHRGCWRIIHKEK-LBPRGKRZSA-N 344.337 1.639 0 40 EDAB Cc1ccccc1CC(=O)NCCCN(C(C)C)S(C)(=O)=O 40535265 QBIBAZFKHIIVHN-UHFFFAOYSA-N 326.462 1.714 0 40 EDAB O=C(NCc1ccco1)C1CCN(c2ccc3nncn3n2)CC1 20728517 MZGCYQGFDQPVFK-UHFFFAOYSA-N 326.360 1.250 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(-n2ccnc2)nc1 32354655 QJSRYQXURVWAHW-UHFFFAOYSA-N 346.354 1.560 0 40 EDAB Cc1cc(O[C@@H](C)C(=O)NCC(=O)O)c2c(C)c(C)c(=O)oc2c1 490848 VXTCIHUTCRCSHD-NSHDSACASA-N 333.340 1.686 0 40 EDAB biogenic CN[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 53202835 JWGASURUOIIGHV-NSHDSACASA-N 333.251 1.822 0 40 EDAB O=C1CCC(=O)N1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 53358138 DMARDQVJXCMGNM-CQSZACIVSA-N 340.383 1.766 0 40 EDAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 22609583 RXPFFXXYQZZZOW-HOTGVXAUSA-N 336.457 1.374 0 40 EDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)NCc1ccccn1 23743147 YDAFTVVRMNTUQN-UHFFFAOYSA-N 331.759 1.777 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)n1 54703336 NYKSQCAFBYJNJL-KBPBESRZSA-N 332.404 1.343 0 40 EDAB Cc1ccccc1-n1ccnc1S(=O)(=O)CCN1CCOC1=O 78441997 BGSABSOLFYKKCG-UHFFFAOYSA-N 335.385 1.407 0 40 EDAB CC(=O)N1CCN([C@H]2CN(CCCOc3ccccc3)C[C@H]2C)CC1 78895951 XSECKDHPYBYGQE-XLIONFOSSA-N 345.487 1.940 0 40 EDAB O=C(Nc1cc(-c2ccccc2)ns1)C(=O)N1CCC(CO)CC1 95461315 FKYQWKPYKZXQPW-UHFFFAOYSA-N 345.424 1.980 0 40 EDAB C[C@@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)NC1CCCC1 24977046 ZSVOTMABKZGLEW-ABAIWWIYSA-N 331.368 1.759 0 40 EDAB CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)N[C@H](C)Cn2ccnc2)C1 107136302 MPZGIPKVJJWDDB-OWCLPIDISA-N 349.479 1.998 0 40 EDAB O=C(C1CCC1)N1CCC(NS(=O)(=O)c2cccs2)CC1 26106272 GKRQMPQCVAKBKT-UHFFFAOYSA-N 328.459 1.818 0 40 EDAB CN(C)C(=O)CN1CCN(C(=S)Nc2ccccc2Cl)CC1 35378156 FXPVNXOUSXTNQS-UHFFFAOYSA-N 340.880 1.743 0 40 EDAB CCCCNC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 2094105 HDNVKFIBUVQCOJ-UHFFFAOYSA-N 344.433 1.386 0 40 EDAB CC(C)N(Cc1cnn(C)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 95409809 JEQILGPNUFDEPI-CQSZACIVSA-N 328.482 1.302 0 40 EDAB CN(CC(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)s1 44937638 RDVRZELRNWKJMD-NSHDSACASA-N 329.853 1.618 0 40 EDAB CCOc1ccc(/C=C2\NC(=S)N(CCOC)C2=O)cc1OC 2145994 SZOCTMKWVIEAIZ-XFXZXTDPSA-N 336.413 1.798 0 40 EDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 58356336 UDUMKSAFMOJIPK-MJBXVCDLSA-N 332.466 1.484 0 40 EDAB Cc1ccc(CCC(=O)NCC(=O)NC[C@@H](C)N2CCCC2)cc1 58304588 IDCINPQQBCQVTG-MRXNPFEDSA-N 331.460 1.644 0 40 EDAB CNc1snc(C)c1C(=O)NCc1ccc(N2CCOCC2)nc1 11153413 DEHAFLURVHOHOU-UHFFFAOYSA-N 347.444 1.655 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccccn2)cc1 28782199 XXUYBOYLNUGVQS-CYBMUJFWSA-N 347.440 1.800 0 40 EDAB O=C1CC[C@H](C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)N1 95441579 DWTNMBWVTKHKJQ-GFCCVEGCSA-N 325.771 1.406 0 40 EDAB NC(=O)[C@H]1CC(C(=O)N=c2[nH]c3ccccc3[nH]2)=NN1c1ccccc1 29402264 YOONKPMFSMMRBI-OAHLLOKOSA-N 348.366 1.044 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1cccc(F)c1 46033775 AYZYZGHTMNMJPD-AWEZNQCLSA-N 326.397 1.140 0 40 EDAB C[C@H]1CN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@@H](C)O1 29693818 SVMJGWAAHXKZJI-OKILXGFUSA-N 331.416 1.861 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCO[C@H]2CCCC[C@H]21 46493224 IGFMTHQCFNWVLH-CABCVRRESA-N 327.388 1.510 0 40 EDAB O=C(N[C@H]1CCN2CCCC[C@@H]12)C1=NN(c2ccccc2)C(=O)CC1 60573323 BXXLMXOKBFSWPQ-RDJZCZTQSA-N 340.427 1.912 0 40 EDAB O=C(NCCNc1ncccn1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 47057666 PFVQLKDDIYUMOP-GJZGRUSLSA-N 349.435 1.258 0 40 EDAB O=C(Cn1cnnn1)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 61336278 PHTNZHPIORYXDE-UHFFFAOYSA-N 335.367 1.591 0 40 EDAB CC(=O)N(C)Cc1cccc(Nc2ncnc3c2cnn3CCO)c1 97200278 YYVSULAQCOGWDZ-UHFFFAOYSA-N 340.387 1.541 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(Cn2c(=O)oc3ccccc32)C1 48279518 QPTXLHQVUPSWKK-CQSZACIVSA-N 329.400 1.790 0 40 EDAB CCCn1nc(C(=O)O[C@H]2C[C@H](C)OC2=O)c2ccccc2c1=O 12785478 TZRGIDRDZNLPEV-GWCFXTLKSA-N 330.340 1.667 0 40 EDAB COC(=O)C1(NC(=O)CN2C(=O)c3ccccc3C2=O)CCCCC1 12817650 CZRCBADMOKINJE-UHFFFAOYSA-N 344.367 1.275 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)CC1 96014012 CXIFXPAZYZLOIU-HOTGVXAUSA-N 342.505 1.991 0 40 EDAB CC(C)[C@H]1NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 9388599 UKNOUJSVCIDJAT-GOEBONIOSA-N 329.400 1.757 0 40 EDAB C/C=C/C[S@@](=O)CC(=O)NCc1ccc(N2CCCC2=O)cc1 95417655 KADVERFEIVOVTM-XFBYCMBJSA-N 334.441 1.754 0 40 EDAB Cc1ccc(O)c(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)c1 65515448 LMBSUTGLFLYRQB-ZDUSSCGKSA-N 332.381 1.306 0 40 EDAB CCNC(=O)c1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1 65531626 MHUTWQSBQQTZDL-UHFFFAOYSA-N 337.357 1.263 0 40 EDAB CN1CCC(NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 65604369 VEFJJAIXNRZTQI-AWEZNQCLSA-N 340.468 1.779 0 40 EDAB Cc1ccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)cc1C 6590114 RGXOHUHNUFNVED-UHFFFAOYSA-N 327.384 1.820 0 40 EDAB CCOC(=O)c1cc(-c2ccccn2)nc2c1c(=O)[nH]c(=O)n2CC 5689810 QBECFZZXQJEBOQ-UHFFFAOYSA-N 340.339 1.343 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](c2cccc(F)c2)C1 66848466 ZSEYWTUIGJUSMU-FZMZJTMJSA-N 346.410 1.793 0 40 EDAB CCN(CC)CCN[C@H](CC(=O)Nc1cccc(OC)c1)C(=O)O 23473235 DCPBLPLZKVIYFA-OAHLLOKOSA-N 337.420 1.408 0 40 EDAB CN(C)c1ncccc1C(=O)NCCc1n[nH]c(=S)n1C1CC1 67078935 NAZXCABQNHYRFG-UHFFFAOYSA-N 332.433 1.709 0 40 EDAB Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCOCC1)CC2 96466514 OSONETULWFBUKE-JTQLQIEISA-N 329.322 1.768 0 40 EDAB CCNC(=S)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 15480051 AUYWDKNKWOIFQA-LLVKDONJSA-N 334.445 1.577 0 40 EDAB CC[C@@H](C)NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 408705450 GFBXEYPEQYDWDZ-LLVKDONJSA-N 342.417 1.486 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)N(C)C[C@H]2CCCO2)C1=O 84678093 XVZMTBQLVLBLFE-ZIAGYGMSSA-N 332.400 1.828 0 40 EDAB CN(C(=O)CCN1CCSC1=O)[C@H]1CCN(c2ccccc2)C1=O 71890959 LJDOJOFPOSCXLP-AWEZNQCLSA-N 347.440 1.809 0 40 EDAB Cn1ccnc1CN1CCCN(C(=O)[C@H]2C[C@@H]2c2ccco2)CC1 71863828 QRYVDURIEWXNFP-GJZGRUSLSA-N 328.416 1.851 0 40 EDAB Cc1cc(C)n([C@H](C)C(=O)NCCc2n[nH]c(-c3ccco3)n2)n1 71896247 ZMQNCWNGUWIWSC-GFCCVEGCSA-N 328.376 1.798 0 40 EDAB CC(C)n1ncc2c1C[C@@H](NC(=O)CCCNC(=O)C1CC1)CC2 84633077 VJHINOWCSZEFEM-HNNXBMFYSA-N 332.448 1.744 0 40 EDAB C[C@@H](CN1CCCC1=O)NS(=O)(=O)N1CCC[C@@H]1c1ccco1 84638261 XKGYZMVCYQAFBT-QWHCGFSZSA-N 341.433 1.262 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCCc2ccccn2)cc1 71913657 QTWLYFIRLJFMPA-AWEZNQCLSA-N 348.424 1.843 0 40 EDAB CC(C)[S@](=O)c1ccc(C(=O)NC[C@H](C)N2CCOCC2)cc1 71921259 CAUOZUVYEAKKRT-LFVRLGFBSA-N 338.473 1.653 0 40 EDAB O=C(COC[C@H]1CCCO1)NC1CCN(Cc2ccccc2)CC1 69230377 BKBVUQPTORLRIC-GOSISDBHSA-N 332.444 1.963 0 40 EDAB CCn1c(SCC(N)=O)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409140904 FORWDRWRROROJZ-LLVKDONJSA-N 347.444 1.675 0 40 EDAB CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccccc2C)CC1 70007256 HRAFCQDPFRNHPM-OAHLLOKOSA-N 346.475 1.323 0 40 EDAB Cc1cc(C)n(C[C@H]2CN([C@@H](C)C(=O)Nc3cc(C)on3)CCO2)n1 69349835 ZMWDSLDAANEAEL-LSDHHAIUSA-N 347.419 1.524 0 40 EDAB O=C(NCC1(c2ccncc2)CC1)C1CCN(c2ncccn2)CC1 95451367 QDAGYICLMQQBSZ-UHFFFAOYSA-N 337.427 1.936 0 40 EDAB CCO[C@@H]1CCCN(C(=O)NCCC(=O)NCc2ccncc2)C1 69531341 MQQQXIMVEFQZBY-OAHLLOKOSA-N 334.420 1.298 0 40 EDAB CCN(CC)C(=O)CN(C)CC(C)CN(C)CC(=O)N(CC)CC 69775414 RSKKTUAALMGGQV-UHFFFAOYSA-N 342.528 1.223 0 40 EDAB COCCN1C[C@H](C(=O)Nc2ccc3c(c2)CCC(=O)N3C)CC1=O 69744076 QMSHJTBUDHONCC-CYBMUJFWSA-N 345.399 1.029 0 40 EDAB C[C@@H](CNC(=O)N1CCc2ccccc2[C@@H]1CO)Cn1cccn1 95417101 WGZYXAZDCFGHJL-YOEHRIQHSA-N 328.416 1.821 0 40 EDAB Cc1ccc(CNC(=O)CN2CCC[C@@H](Cn3cncn3)C2)s1 69819595 YHTUREYYZXIQNN-CQSZACIVSA-N 333.461 1.676 0 40 EDAB CC(C)(CNC(=O)Cn1cnnn1)c1cccc(Br)c1 69817086 GUZWDKDDMJDDPK-UHFFFAOYSA-N 338.209 1.530 0 40 EDAB O=C(O)CCN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 69810813 ZUHANLGRLWKNLU-UHFFFAOYSA-N 330.306 1.938 0 40 EDAB CC1CCC(NC(=O)COc2ccc(C(=O)N(C)CCO)cc2)CC1 69967802 SQTYLVFXZCMECK-UHFFFAOYSA-N 348.443 1.825 0 40 EDAB CC(C)N(Cc1ccccc1)C(=O)CSc1nc(N)cc(=O)[nH]1 18207059 FNAGFNVVCOQBAT-UHFFFAOYSA-N 332.429 1.881 0 40 EDAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCCC1 8735321 UZNMAQQNQAWATC-LBPRGKRZSA-N 325.434 1.360 0 40 EDAB Cn1nnnc1SCC(=O)NCCSCc1ccccc1F 8938755 MPDIZJTUEASMMF-UHFFFAOYSA-N 341.437 1.491 0 40 EDAB CCN(C1=N[C@]2(N=C(N)N1)C(=O)N(C)c1ccccc12)c1ccccc1 19325497 CDXWENUNORFRAJ-IBGZPJMESA-N 348.410 1.616 0 40 EDAB O=C1C[C@H](NC(=O)N2CCC[C@@H](CO)C2)CN1Cc1ccccc1 72274353 XIPFJPRQQAYXMD-CVEARBPZSA-N 331.416 1.201 0 40 EDAB Cc1ccccc1SCC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 72275206 QAXRJBHZLSXQMF-CYBMUJFWSA-N 342.486 1.614 0 40 EDAB COCc1ccccc1C(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C 74161887 ICXQMHNTZQXVNR-UHFFFAOYSA-N 340.383 1.716 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2nnc(-c3ccccc3)o2)CC1 75131193 CYBHOORQHHCZFU-CQSZACIVSA-N 330.432 1.919 0 40 EDAB Cc1ccc(C(=O)NC[C@H](O)CO[C@@H](C)c2ccccc2)c(=O)[nH]1 75123930 IKBHOAFUIWAERF-ZFWWWQNUSA-N 330.384 1.552 0 40 EDAB COC(=O)CNC(=O)CCN1CCc2ccc(Br)cc21 75137504 ILTQDKYBZGBCOF-UHFFFAOYSA-N 341.205 1.491 0 40 EDAB CCO[C@@H]1C[C@H](NS(=O)(=O)c2cnn(C)c2)C12CCCCC2 75103831 NKLVKHOZVOBTRJ-UONOGXRCSA-N 327.450 1.826 0 40 EDAB O=C1NC[C@H](C(=O)NCc2ccc(COCC(F)(F)F)cc2)N1 89787748 ORMRJBGEEOSSGN-LLVKDONJSA-N 331.294 1.063 0 40 EDAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2CC[C@H](CN3CCCCC3)C2)C1 89819151 NEZCQMJGIRDTOP-SJLPKXTDSA-N 347.503 1.969 0 40 EDAB O=C(CCNC(=O)c1ccsc1)N[C@H](Cc1ccccc1)C(=O)O 89830048 VMSGNCHYQIEQDN-CQSZACIVSA-N 346.408 1.680 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)c2ccccc2-n2cnnn2)C12CCC2 89985923 ZNNNQBBIFCPLHE-CABCVRRESA-N 327.388 1.740 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)c2ccc(Br)s2)cn1 76092230 WIBUUIKVKUMTFG-LBPRGKRZSA-N 344.234 1.882 0 40 EDAB CC(=O)N1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 306124601 BUBBPDAVVLOICN-QWHCGFSZSA-N 325.372 1.181 0 40 EDAB O=C(NC1CCCCC1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32103061 LNJVZJFDXKOLOW-CYBMUJFWSA-N 328.420 1.790 0 40 EDAB Cc1cc(=O)c(OCC(=O)Nc2nc(-c3cccs3)n[nH]2)c[nH]1 524735624 OHPKQVHMWSWHEK-UHFFFAOYSA-N 331.357 1.547 0 40 EDAB CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2c2cc(C)nc(N)n2)n1 72388440 YVBOGQLAIZHBMN-QGZVFWFLSA-N 341.419 1.341 0 40 EDAB COc1ccc([C@H]2C[C@H](C)N(Cc3nc(N)nc(N(C)C)n3)C2)cc1 76393349 FEVNFNJYQIPCRO-JSGCOSHPSA-N 342.447 1.906 0 40 EDAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 32643031 RDPLVVBOCXTCBE-LBPRGKRZSA-N 337.445 1.830 0 40 EDAB O=C(COCc1ccccc1)NC[C@]1(OCCO)CCSC1 1565523168 HVZAMUOTHDTFBB-MRXNPFEDSA-N 325.430 1.204 0 40 EDAB N[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218644000 UDJUFVUGHYDEHN-DZKIICNBSA-N 335.356 1.548 0 40 EDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CO)cc1 218111264 GTYISAMDORGFHF-KZNAEPCWSA-N 347.436 1.633 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(Cc2nncn2C2CCCCC2)CC1 75164081 IYYGPZDJPQKXSM-MRXNPFEDSA-N 347.463 1.607 0 40 EDAB NCC1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218453859 IEPPVTRWAMIYKW-HOTGVXAUSA-N 334.416 1.669 0 40 EDAB CCOC[C@@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(OC)cc1 218085450 JRWUAKGYPKIFDE-HRCADAONSA-N 327.446 1.577 0 40 EDAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 218096296 ZOWPSFGVHIFVRO-BRWVUGGUSA-N 332.425 1.291 0 40 EDAB CN1CCC(N2Cc3nc(N4CCCCCC4)ncc3C2=O)CC1 41122983 AVEJLMJUNAMHTJ-UHFFFAOYSA-N 329.448 1.907 0 40 EDAB O=S(=O)(CCc1ccccc1)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 238835833 GRCHKIYSFQQVKZ-BZUAXINKSA-N 325.430 1.485 0 40 EDAB Cn1nccc1CN1CCC2(CC1)Nc1ccccc1C1=NCCN12 72327151 KUNXPRJICVXDIL-UHFFFAOYSA-N 336.443 1.900 0 40 EDAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C 223276131 LJHXVVIVDGVPLK-CVEARBPZSA-N 329.473 1.954 0 40 EDAB C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccco1 75156286 JQYMKZCBJNJISN-KRWDZBQOSA-N 346.339 1.013 0 40 EDAB CCCCNc1cc(N2CCN(c3cnccn3)CC2)nc(N)n1 225537921 ZXISDQFKACPXMT-UHFFFAOYSA-N 328.424 1.387 0 40 EDAB Cc1nc(Nc2ccccn2)cc(N2CCN(C(=O)C3CC3)CC2)n1 85557460 KNTNXLLLNDUSRK-UHFFFAOYSA-N 338.415 1.982 0 40 EDAB CC(C)c1nc(S(=O)(=O)NCc2cccc(C(=O)O)c2)cn1C 571164406 VHUVMNNLOAVQOQ-UHFFFAOYSA-N 337.401 1.720 0 40 EDAB COc1ccc(C(=O)NCc2nc(-c3cc[nH]c(=O)c3)no2)c(C)c1 225802390 FWXPNNANOAUXMG-UHFFFAOYSA-N 340.339 1.672 0 40 EDAB O=C(CCn1nc(-c2ccc(F)cc2)ccc1=O)NC[C@H]1CCCO1 41254650 DKLOJTUUQDYAPY-OAHLLOKOSA-N 345.374 1.735 0 40 EDAB Cc1cn(-c2ncccc2F)nc1NC(=O)[C@@H]1CCc2cncn2C1 576639477 ABQFMFPSQHTWCN-GFCCVEGCSA-N 340.362 2.112 0 40 EDAB COc1ccc2cc(C(=O)N3CCC(C(N)=O)CC3)c(=O)oc2c1 226043057 NPICWCBWHWZLRA-UHFFFAOYSA-N 330.340 1.139 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3c2cnn(C)c2)no1 96186504 PSHKVCLHXHABJY-KBPBESRZSA-N 329.360 1.127 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Cc2cnn(C)c2)cc1 583616092 KOPDYDFHBNTTTG-HKUYNNGSSA-N 343.427 1.870 0 40 EDAB CN([C@]1(CO)CCOC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 585114669 QMSNTDQEDCCEDF-INIZCTEOSA-N 327.446 1.756 0 40 EDAB Cc1nnc(N2C[C@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)s1 97953425 JIOYENWVTGLSPF-MRVWCRGKSA-N 345.428 1.864 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(Cc2cccc(Br)c2C)C1 90565331 JZHQJXMPDXDMQH-GFCCVEGCSA-N 347.278 1.881 0 40 EDAB COc1c(C(=O)Nc2nnc(C)s2)nnn1Cc1ccccc1 96183439 VGOKEDKUJGZKIF-UHFFFAOYSA-N 330.373 1.747 0 40 EDAB CC(C)[C@@H](NC(=O)NC[C@@](C)(O)c1cnn(C)c1)c1ccccn1 96421618 KLYBOBXPWIEEOF-NVXWUHKLSA-N 331.420 1.719 0 40 EDAB CCS(=O)(=O)NCC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)C 95446377 MQYFOGAJESQLAF-CQSZACIVSA-N 334.388 1.717 0 40 EDAB Fc1cnc(N2CCOC[C@]3(CCN(c4ccccn4)C3)C2)nc1 96202250 LIKORPAHMSLLTA-KRWDZBQOSA-N 329.379 1.744 0 40 EDAB CCn1ncc(CN[C@H](C(N)=O)c2cccc(Br)c2)n1 585087110 BGCZVBIAUDBIIM-LBPRGKRZSA-N 338.209 1.377 0 40 EDAB COC[C@@H](O)c1cccc(NS(=O)(=O)c2cnc(Cl)n2C)c1 585118917 IAIGFLKIOCPVCE-LLVKDONJSA-N 345.808 1.554 0 40 EDAB CNC(=O)NCCNC(=O)c1nn(-c2ccccc2C)c2c1CCC2 585088232 PXOPCDQXQUPVTI-UHFFFAOYSA-N 341.415 1.328 0 40 EDAB CC(C)C(=O)N1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1 96145683 DTFCOHUMUAIYKG-STQMWFEESA-N 338.429 1.373 0 40 EDAB O=C([C@H]1COC[C@H]2CN(c3ncccn3)C[C@H]21)N1CCC(F)CC1 96040781 XURDFWGQDPQFQI-YUELXQCFSA-N 334.395 1.136 0 40 EDAB CN1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)C1=O 96415493 PWKNQVZTINIEMX-WCQYABFASA-N 338.358 1.073 0 40 EDAB CNS(=O)(=O)CCCSc1nnc(C2CCCCC2)n1N 96404763 WCMOZRIXPSMBDW-UHFFFAOYSA-N 333.483 1.071 0 40 EDAB CC[C@H](CO)NS(=O)(=O)c1cnn(-c2ccccc2Cl)c1C 95432858 HCMNRXNYNDMNRV-LLVKDONJSA-N 343.836 1.883 0 40 EDAB Cn1cc(-c2nnn3c2CO[C@H](CNCc2ccsc2)C3)cn1 96061009 XOPNEUGQHXSVJF-CYBMUJFWSA-N 330.417 1.429 0 40 EDAB Cn1ccc(CN2CCCC23CCN(C(=O)c2cnccn2)CC3)n1 96075319 TXAGNYXGIKXEGV-UHFFFAOYSA-N 340.431 1.481 0 40 EDAB Cc1cc(CN2CCOC[C@]3(CC[C@@H](Cn4cncn4)O3)C2)oc1C 247907852 KMMAJRXHWLNABL-WMZOPIPTSA-N 346.431 1.938 0 40 EDAB O=c1/c(=C/Nc2nccs2)sc2nc(-c3ccncc3)nn12 256055681 PKZOSASRPJUGDI-CLFYSBASSA-N 328.382 1.239 0 40 EDAB CN(C)C(=O)CCc1cccc([C@@H]2CCCN(C(=O)C(C)(C)N)C2)n1 257333345 YBFRHHKWGZQJQD-CQSZACIVSA-N 346.475 1.546 0 40 EDAB CC(C)c1cc(C(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)on1 257211929 CBCYWTQKWREZNV-SFHVURJKSA-N 344.415 1.954 0 40 EDAB COc1ncccc1C(=O)N1CCOC[C@H]1c1cc(O)nc(C)n1 257251838 JSLXLKIZIYZXKZ-ZDUSSCGKSA-N 330.344 1.108 0 40 EDAB CCn1nccc1-c1cncc(C[C@H]2CCCN(S(C)(=O)=O)C2)n1 257333268 YAXADOWHUQWIEQ-CYBMUJFWSA-N 349.460 1.574 0 40 EDAB O=C(c1ccncn1)N1CCOC[C@H](Cc2ccc3[nH]ncc3c2)C1 257205904 BBAJCILXNVVMTF-CQSZACIVSA-N 337.383 1.684 0 40 EDAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCC(C(N)=O)CC1 253400279 KZXBXPNMDUZVCF-JTQLQIEISA-N 344.371 1.127 0 40 EDAB biogenic,in-vitro Cc1nccnc1CC[C@H]1COCCN1C(=O)CCn1ccnc1 257288485 PUJVGWFTHYUKPV-HNNXBMFYSA-N 329.404 1.232 0 40 EDAB COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1N1CCNC1=O 262631757 FNJDOLSEPZGOHT-GFCCVEGCSA-N 347.371 1.304 0 40 EDAB O=C(NCC[C@@H](O)c1ccoc1)C(=O)Nc1ccc2c(c1)OCO2 96097336 JIMNBHLNAIRRAD-GFCCVEGCSA-N 332.312 1.187 0 40 EDAB COCCC1(CNS(=O)(=O)C2CC(C(=O)OC)C2)CCCC1 1615996598 MHOSMPOJBMQZLH-UHFFFAOYSA-N 333.450 1.454 0 40 EDAB CN(CC1CC1)c1nnnn1Cc1ccc(CN2CCCC2=O)cc1 1616036094 HEKNVLFCOZZAGB-UHFFFAOYSA-N 340.431 1.690 0 40 EDAB CC(C)CC(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3cccn3C)[C@H]2C1 575402448 AMYAREVZTIXWQF-IIAWOOMASA-N 333.432 1.274 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 575403780 OCECMXUFUFFMND-HUUCEWRRSA-N 341.473 1.553 0 40 EDAB CN1C[C@@H](COCc2ccccn2)CC12CN(c1ncccn1)C2 585093742 BUBJSZBGDLOJBE-HNNXBMFYSA-N 325.416 1.599 0 40 EDAB O=C(C[C@H]1CN(C(=O)CC2CC2)Cc2ccnn21)NCc1ccco1 585095796 LKBYXPADFVYDPS-HNNXBMFYSA-N 342.399 1.866 0 40 EDAB Cc1nc(O)cc(C(=O)N2CC[C@H](Cc3ccccc3C)[C@@H](O)C2)n1 585279995 VHMPSQZBTMQNPH-WBVHZDCISA-N 341.411 1.865 0 40 EDAB COC(=O)c1ccc2c(=O)[nH]c(Cc3ccc(C(=O)OC)o3)nc2c1 69535067 HNSIFFRUGAAHTB-UHFFFAOYSA-N 342.307 1.680 0 40 EDAB COC(=O)CCN(Cc1ccccc1)C(=O)COCc1nc(C)no1 70020243 LXHNUIBEHHLPNM-UHFFFAOYSA-N 347.371 1.487 0 40 EDAB Cc1ccccc1C1(C(=O)N2CCO[C@@H](C(N)=O)C2)CCCCC1 72059603 OODPKDWCBHTSJF-MRXNPFEDSA-N 330.428 1.910 0 40 EDAB COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 44891562 NCROPNLGQVBCBF-GFCCVEGCSA-N 341.385 1.174 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2cc(C)n[nH]2)c1 48279680 QYHOKBXGIAWDNH-UHFFFAOYSA-N 336.417 1.043 0 40 EDAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)CC(N)=O)c12 47109412 LXZRODICJZWVAO-UHFFFAOYSA-N 337.383 1.501 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)NCc1nnc2n1CCCCC2 55034009 NROGMIWWLZZVTD-ZDUSSCGKSA-N 333.436 1.412 0 40 EDAB O=C(CCNC(=O)c1cccs1)NCCCOC[C@@H]1CCCO1 52168361 XQWIKPALDANPRH-ZDUSSCGKSA-N 340.445 1.570 0 40 EDAB O=C([C@@H]1CCCN(c2ncnc3cc(F)ccc23)C1)N1CCOCC1 73350581 XVADLLVQOVARBD-CYBMUJFWSA-N 344.390 1.844 0 40 EDAB CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 75092961 HDMRRRHUJQMGSY-FMKPAKJESA-N 336.407 1.963 0 40 EDAB O=C(C1CC1)N1CCC(n2nnc3c(O)nc(C4CC4)nc32)CC1 12219356 LSTJLJBKOUHINE-UHFFFAOYSA-N 328.376 1.378 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(Cl)cc2)n[nH]1 12525486 GNDRGDABVIAFOD-LLVKDONJSA-N 339.804 1.647 0 40 EDAB CN(Cc1ccccc1)C(=O)CCc1ccc(S(N)(=O)=O)cc1 17334274 FPDHUTIFIBQNJJ-UHFFFAOYSA-N 332.425 1.925 0 40 EDAB OCc1nnc2n1CCN(CC1CCN(Cc3ccccc3)CC1)C2 19371826 BKNKCRYAVMDGPQ-UHFFFAOYSA-N 341.459 1.498 0 40 EDAB O=C(C1CCCC1)N1CCO[C@H](c2nc(-c3ncccn3)no2)C1 19403993 JJNMDXJFCKPEGJ-LBPRGKRZSA-N 329.360 1.617 0 40 EDAB C[C@@]1(NC(=O)Cn2ccc3ccc(Cl)cc32)CCS(=O)(=O)C1 52958311 HSNDBTNSIVIWAC-OAHLLOKOSA-N 340.832 1.988 0 40 EDAB CC(=O)[C@@H](C)n1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O 8725119 ASQOXDAVALIQAI-MRVPVSSYSA-N 332.360 1.388 0 40 EDAB CCOC(=O)C1=C=S=C([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 575444618 UUIPUPGMYZFFER-NSHDSACASA-N 326.418 1.700 0 40 EDAB CS(=O)(=O)N1CCC(N2CCC[C@H](Cc3cc[nH]n3)C2)CC1 1848355445 OTWUHFICNLAPFM-CYBMUJFWSA-N 326.466 1.088 0 40 EDAB O=S1(=O)CC[C@H](CN2CCC(COc3ncccn3)CC2)C1 1888853038 UDPMVVXJZMPWJE-CQSZACIVSA-N 325.434 1.002 0 40 EDAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)Cn3cncn3)C2)nn1 1888854623 JAAZRGFRCBIUIC-ZDUSSCGKSA-N 344.419 1.293 0 40 EDAB O=C(c1cnc2ccccc2n1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 1888890983 KBSPKDZVIUJWGQ-KBPBESRZSA-N 346.394 1.628 0 40 EDAB Cc1ccc(CNC(=O)CN2CC[C@H](C(=O)NC(C)(C)C)C2)cc1 1888928946 GRQZFUBLKQJNDQ-INIZCTEOSA-N 331.460 1.848 0 40 EDAB CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 78548947 BJZJNOYWEOTUPX-IAGOWNOFSA-N 329.444 1.636 0 40 EDAB Cc1nc(C(=O)N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)cs1 1614930902 FQIJRZZSUAIPHD-MRXNPFEDSA-N 345.428 1.454 0 40 EDAB COCCN1CC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)CC1=O 1565544613 NXCRJLRBTMQGGZ-UHFFFAOYSA-N 347.415 1.653 0 40 EDAB CC(C)N(C)CC(=O)N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1 1565546001 QHUKFQHDMZKXHS-INIZCTEOSA-N 331.460 1.572 0 40 EDAB CC1CCC(C(=O)N2C[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)CC1 1565551899 UMQWRMCRYMJKES-SJJHQCBESA-N 344.459 1.967 0 40 EDAB CC1CC(C(=O)N2CCO[C@@]3(C2)C(=O)N(C)C[C@H]3c2ccccc2)C1 1565553445 ZAWQJMFNZNMYGL-UMECUKIZSA-N 342.439 1.886 0 40 EDAB CCc1ccc(C(=O)N2CC[C@@H]3OCCN(CCOC)[C@H]3C2)cn1 1565550371 AOCYGTIOTALWPG-IRXDYDNUSA-N 333.432 1.206 0 40 EDAB Cc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccnc3)CC2=O)cc1 8808617 HHUKWHUPOJLKHN-CQSZACIVSA-N 345.424 1.721 0 40 EDAB O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1ccco1 10704991 XBJVDPHRJAQXFN-UHFFFAOYSA-N 334.397 1.398 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@]2(O)C=CCCC2)cc1 618257276 UMFGGKAHROMLBW-HNNXBMFYSA-N 340.401 1.614 0 40 EDAB O=C(c1cn[nH]c1)N1CCC(COc2ccc3nccn3n2)CC1 2298063531 IISBJFZSSCIAIN-UHFFFAOYSA-N 326.360 1.384 0 40 EDAB Cc1cc(N2CCCC2)nc(N2CCN(CC3(O)CCCC3)CC2)n1 2298182808 WTWMKSQFYQHJMO-UHFFFAOYSA-N 345.491 1.812 0 40 EDAB NC(=O)c1nnn(-c2ccc(NC(=O)CCc3ccccc3)cc2)n1 70999191 ODCKMJMWVPJWQK-UHFFFAOYSA-N 336.355 1.333 0 40 EDAB COP(=O)(OC)[C@@H](Nc1cc(=O)[nH]c(=O)[nH]1)c1ccc(F)cc1 2241414 QJLIZGCRRAZVMZ-GFCCVEGCSA-N 343.251 1.799 0 40 EDAB CCOc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1 149397 HSRHILSVYBDLAG-UHFFFAOYSA-N 336.775 1.741 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NCC2CCCCC2)on1 40528524 AEAUQZSVBOWQIM-GFCCVEGCSA-N 328.434 1.983 0 40 EDAB Cc1ccc(-c2cc(C(=O)NCCCNS(C)(=O)=O)[nH]n2)cc1 32354757 WZKGVAASKXTHAE-UHFFFAOYSA-N 336.417 1.054 0 40 EDAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(=O)[nH]c1 32721167 PFFWZACNLRFLOK-ZDUSSCGKSA-N 333.413 1.240 0 40 EDAB NC(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 21557807 IJCCVLMIGVENPZ-UHFFFAOYSA-N 340.339 1.438 0 40 EDAB COCCOCC(=O)Nc1cccc(I)c1 32868795 JGSNOAXUMUAJII-UHFFFAOYSA-N 335.141 1.893 0 40 EDAB CCOCCCNC(=O)C1CCN(c2ncnc3c2cnn3C)CC1 42108916 IHWLYTVJDJGSFA-UHFFFAOYSA-N 346.435 1.123 0 40 EDAB Cc1cc(SCC(=O)N2CCN(C(=O)C3CC3)CC2)nc(C)n1 53821257 XVSQTWXQGSKQKA-UHFFFAOYSA-N 334.445 1.266 0 40 EDAB Cc1cc(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)[nH]n1 53833505 FUCZVPCPPZZWHM-UHFFFAOYSA-N 341.375 1.048 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CC[C@H](CNc2ccccn2)C1 104177605 WOCIIVVEJVJVHV-HDHZYAPQSA-N 342.447 1.483 0 40 EDAB Cc1ccc(N2CCCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 499446 RZMWEQVJLVYNJN-UHFFFAOYSA-N 339.399 1.674 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cc1ccccc1Cl 24675332 NOISXDVBTGUSAX-CYBMUJFWSA-N 344.864 1.813 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)CCc3cscn3)CCO2)n1 78889241 SFOMNYUSSZEXKQ-LBPRGKRZSA-N 335.433 1.917 0 40 EDAB CC1CCN(c2ccc(C(=O)NCCc3nncn3C)cn2)CC1 79001170 KVCNFLNFFOZXHC-UHFFFAOYSA-N 328.420 1.419 0 40 EDAB CC(C)Cc1n[nH]c(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)n1 79490570 QWBVSYXNWORVPZ-UHFFFAOYSA-N 333.392 1.261 0 40 EDAB NS(=O)(=O)c1cccc(CNC(=O)c2cc3c(s2)CCC3)c1 25270299 LHXHAHIVUABPJB-UHFFFAOYSA-N 336.438 1.814 0 40 EDAB Cc1nccn1-c1cc(CNS(=O)(=O)N2CCC(C)CC2)ccn1 56065856 AOYQOIRNYHTBTP-UHFFFAOYSA-N 349.460 1.642 0 40 EDAB Fc1ccc(-c2nnn(CN3CCN(c4ncccn4)CC3)n2)cc1 57350798 NYJULVUESRXVQA-UHFFFAOYSA-N 340.366 1.049 0 40 EDAB CC1CCC(NC(=O)[C@@H](C)N2CCN(c3cnccn3)CC2)CC1 27637917 RHFPYCQOYFSRPC-HWOWSKLDSA-N 331.464 1.682 0 40 EDAB COc1ccccc1-n1nnc(C(=O)N2CCOC(C)(C)C2)c1C 27644091 FFSQSOPOVZZCEA-UHFFFAOYSA-N 330.388 1.835 0 40 EDAB Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)no1 55336261 JDNOCQIXQAFWIL-UHFFFAOYSA-N 328.372 1.380 0 40 EDAB O=C(CN1C=Nc2ccccc2S1(=O)=O)NCc1ccccc1 58293073 KUAIIJQEWXYEKN-UHFFFAOYSA-N 329.381 1.667 0 40 EDAB CCNc1nc(NC(C)C)nc(N(C#N)[C@H](C)C(=O)N(CC)CC)n1 2183434 KDWZBKGGJBBLKO-GFCCVEGCSA-N 348.455 1.668 0 40 EDAB O=C(O)c1cc(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)c[nH]1 58343184 HRWMACZEPRVFBV-UHFFFAOYSA-N 347.356 1.154 0 40 EDAB CN(CCCc1nc2ccccc2[nH]1)C(=O)C[C@H]1CCS(=O)(=O)C1 58331019 BSFIPIKDTWDAIR-CYBMUJFWSA-N 349.456 1.779 0 40 EDAB NC(=O)c1ccc(CN2CCC(c3ccnn3CCO)CC2)cc1 58310674 ITDKBVCXWYSJSF-UHFFFAOYSA-N 328.416 1.354 0 40 EDAB CCN(CC)c1ccc(C(=O)NCCCN(C)S(C)(=O)=O)cc1 58390527 VEMTZZHDFWOYRI-UHFFFAOYSA-N 341.477 1.544 0 40 EDAB O=C(NC[C@@H](O)COc1cccc(F)c1)c1cccc2c1OCCO2 58332120 NSPIHQOGWZVIQP-CYBMUJFWSA-N 347.342 1.767 0 40 EDAB C[C@H](c1ccc2c(c1)OCO2)N1C[C@@]23C=C[C@H](O2)[C@H](C(=O)O)[C@H]3C1=O 100918363 LCPQTKFZJSZOCI-ZKNVZIJDSA-N 343.335 1.343 0 40 EDAB C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(Cc2ccccc2)C1=O 58424008 WSWYHKXBYHIANI-GOSISDBHSA-N 348.366 1.630 0 40 EDAB Cn1c(COC(=O)c2cc(Cl)ccc2F)cc(=O)n(C)c1=O 58470906 NYNNGFADFWLYPQ-UHFFFAOYSA-N 326.711 1.234 0 40 EDAB CCN1C[C@@H](C(=O)N2CCN(c3nc(C)c(C)s3)CC2)CC1=O 95436396 GNGHSVIJFTZTFH-ZDUSSCGKSA-N 336.461 1.277 0 40 EDAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1cccs1 10876491 YPNYJALKNLVXKX-UHFFFAOYSA-N 336.438 1.870 0 40 EDAB CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)CCC2CC2)cc1 95441737 XEMHAXWKCVAJOD-UHFFFAOYSA-N 332.447 1.479 0 40 EDAB CNC(=O)CN1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 47913743 WFLNRMHMTYCVOF-CQSZACIVSA-N 343.431 1.470 0 40 EDAB O=c1[nH]c2nc(NCc3ccco3)ncc2c(=O)n1Cc1ccco1 102911567 RRKPWMNSJFETSU-UHFFFAOYSA-N 339.311 1.326 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 45838656 BGWVICJGEBSKFQ-UHFFFAOYSA-N 328.294 1.925 0 40 EDAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(F)c(F)c1 2637605 BVLNXOMDXMTTHE-UHFFFAOYSA-N 331.282 1.958 0 40 EDAB CCn1c(SCc2cc(=O)[nH]c(CO)n2)nnc1-c1cccs1 57279654 NXZARYIYUBMKJB-UHFFFAOYSA-N 349.441 1.894 0 40 EDAB C[C@H](NC(=O)N[C@@H](C)c1nncn1C)c1ccc2c(c1)NC(=O)CO2 46962657 GDTQDWNYYZONEU-UWVGGRQHSA-N 344.375 1.267 0 40 EDAB COc1cccc(-c2nc(-c3c(N)n(C)c(=O)n(C)c3=O)cs2)c1 12683392 ZUVNTLKBCMYJCW-UHFFFAOYSA-N 344.396 1.465 0 40 EDAB Cc1csc(CNC(=O)NCC(C)(C)N2CCN(C)CC2)n1 89705617 VHTQJBZXJVHOAI-UHFFFAOYSA-N 325.482 1.277 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)C1 93280173 OMEZTGCUUNWGAT-LBPRGKRZSA-N 343.453 1.184 0 40 EDAB O=C(O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 13340311 SYYNAXQPYMUDGN-UHFFFAOYSA-N 349.364 1.635 0 40 EDAB CC1CCC(NC(=O)COC(=O)CNC(=O)c2ccccc2)CC1 6115923 UEUPVPVOGMSRSL-UHFFFAOYSA-N 332.400 1.655 0 40 EDAB CC[C@@](C)(NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)C(=O)OC 65494068 VYIMRJRKAOGMQG-RDTXWAMCSA-N 348.399 1.876 0 40 EDAB CC(C)Nc1nnc(S[C@@H](C)C(=O)NC(=O)NC2CC2)s1 14076163 UORMIBGAEBESEZ-ZETCQYMHSA-N 329.451 1.827 0 40 EDAB CN1CCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)CC1 65591965 DLPFCXUOOBWCDM-UHFFFAOYSA-N 340.445 1.023 0 40 EDAB CN(C)[C@H](CNc1ncnc2c1c(Br)nn2C)C1CC1 65566521 GHXBDBIXBBIKKZ-SECBINFHSA-N 339.241 1.878 0 40 EDAB NC(=O)c1ccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 14237086 WHAFYCUDONHFQA-MRXNPFEDSA-N 338.363 1.962 0 40 EDAB Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)Cn1cncn1 66438541 UFBVBTUYDJNNRM-UHFFFAOYSA-N 345.428 1.414 0 40 EDAB Cc1cc(C[S@@](=O)Cc2cccc(S(=O)(=O)N(C)C)c2)on1 71797406 WDEWTUDTHBVKPX-OAQYLSRUSA-N 342.442 1.682 0 40 EDAB O=C(CCn1cncn1)NC[C@@H]1CCCCN1Cc1ccccc1 67360938 LSSQNTYXDJVAHS-KRWDZBQOSA-N 327.432 1.839 0 40 EDAB CC(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1ccc(-n2cnnn2)cc1 96454484 KMPGMUUJICGCDL-RHSMWYFYSA-N 329.404 1.382 0 40 EDAB Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)[C@H]2COCCO2)cc1 71894255 UUUGLVHFOYXKHF-QGZVFWFLSA-N 346.427 1.756 0 40 EDAB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1ccnc(C2CC2)n1 71899767 KCDAMPQOPSGZKU-ZDUSSCGKSA-N 334.445 1.738 0 40 EDAB O=C(NC1CCN(CCc2ccccc2)CC1)N[C@@H]1C=C[C@H](CO)C1 81476298 GYTWKXWSOMRKSZ-PKOBYXMFSA-N 343.471 1.930 0 40 EDAB CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)CC1CCN(CCO)CC1 71871539 HRFFHMMXXXXMIF-FUHWJXTLSA-N 339.524 1.802 0 40 EDAB C[C@@H](CNC(=O)CN1CC(=O)NC1=O)c1c(Cl)cccc1Cl 71897984 XQODHFSZRDVVTE-QMMMGPOBSA-N 344.198 1.765 0 40 EDAB O=C1C[C@@H](C(=O)N2CCCC[C@H]2Cn2cccn2)CN1CC1CC1 70038636 MYMAFQAWHXZGCX-CVEARBPZSA-N 330.432 1.523 0 40 EDAB O=C(c1cc2c(s1)CCOC2)N1CCCN(c2cccnn2)CC1 70016144 QUAVUAKSAKOIBC-UHFFFAOYSA-N 344.440 1.963 0 40 EDAB COc1ccc([C@@H]2C[C@@H]2NC(=O)NCC(C)(C)N2CCOCC2)cc1 69442770 IZGDRIMODAEDOE-IRXDYDNUSA-N 347.459 1.961 0 40 EDAB CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 71913571 RPRMIJFKCYTUSY-OAHLLOKOSA-N 345.509 1.327 0 40 EDAB COCC(=O)N(C)[C@@H](C(=O)OC)c1ccc(Br)cc1 71914757 QULOSGMYNCSJLD-GFCCVEGCSA-N 330.178 1.768 0 40 EDAB Cc1ccc([C@H](CNC(=O)C(=O)Nc2nncs2)N2CCCC2)o1 69508940 XPKOSGMHYRPNPE-NSHDSACASA-N 349.416 1.331 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCCNc2ccccc2)C1=O 69618847 OIVNKXGOYZQJMI-SFHVURJKSA-N 344.415 1.325 0 40 EDAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)N1CCCCC1 69630053 LYBZSZPZTPHHOO-ZDUSSCGKSA-N 339.461 1.339 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]1c1ccsc1 69742514 MZBSGQHSAUOFFT-ZIAGYGMSSA-N 331.445 1.608 0 40 EDAB CNC(=O)c1ccc(NC(=O)N2CCCN(C(=O)OC)CC2)c(C)c1 69771370 RAWZGASUCRFXQF-UHFFFAOYSA-N 348.403 1.661 0 40 EDAB CCN1CCO[C@H](CNc2ccc3nnc(-c4ccccc4)n3n2)C1 69739549 FXMZAIUGGQGHEZ-OAHLLOKOSA-N 338.415 1.924 0 40 EDAB CN(C)CCN(C)C(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 95987638 JUWLABPRQUQVAO-GJZGRUSLSA-N 327.375 1.998 0 40 EDAB Cc1ccc(N2CCC[C@@H](N[C@H](C(N)=O)c3ccc(F)cc3)C2)nn1 69846982 MECWRFLAQSCKTA-WBVHZDCISA-N 343.406 1.709 0 40 EDAB c1ccc2c(N3CCN(c4ccc5nncn5n4)CC3)ncnc2c1 69814577 BSIOZQLNUYNPAB-UHFFFAOYSA-N 332.371 1.394 0 40 EDAB COCCN(CC(F)F)C(=O)Nc1ccccc1S(C)(=O)=O 69918682 LXWUMODGMVVJLH-UHFFFAOYSA-N 336.360 1.836 0 40 EDAB COc1ccc([C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O)cc1OC 8700662 SSHWDGQNMYHLBV-CHWSQXEVSA-N 341.360 1.715 0 40 EDAB CC(C)OCCCNC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060360 HBEASVDOIPCKFE-ZDUSSCGKSA-N 346.435 1.501 0 40 EDAB CCNS(=O)(=O)c1ccc2c(c1)N(Cc1n[nH]c(CC)n1)CC2 97096356 QJMKSTOVLADFQR-UHFFFAOYSA-N 335.433 1.228 0 40 EDAB CN(C)[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 97082850 GDYHIDJOXPBJDI-ZJUUUORDSA-N 337.367 1.861 0 40 EDAB Cc1[nH]ncc1[C@H](C)N[C@H](C)C(=O)Nc1ccc(-n2cncn2)cc1 97233903 CAPWGGPLBMOOKQ-WCQYABFASA-N 339.403 1.977 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(CCOc3ccc(F)cc3)C2)C1=O 84597356 XBEIRWWAHUTOGO-KRWDZBQOSA-N 335.379 1.609 0 40 EDAB COc1ccc([C@H](NC(=O)CN2CCN(C)C[C@@H]2C)C2CC2)cc1 89938963 JJJKFFYMEIDXLB-IFXJQAMLSA-N 331.460 1.898 0 40 EDAB COc1ccc(CC2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 75572989 ONDXKMUZZPXFGR-IRXDYDNUSA-N 339.457 1.108 0 40 EDAB CCCNC(=O)CCCC(=O)N1CCN(Cc2cccc(O)c2)CC1 76018596 ILXYDFNBGUHFGJ-UHFFFAOYSA-N 347.459 1.733 0 40 EDAB CCO[C@@H](C)c1noc(CN2CCN(c3cc(CC)ncn3)CC2)n1 76064216 OQBFZGUFEDUFKE-ZDUSSCGKSA-N 346.435 1.842 0 40 EDAB CCN1C[C@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 76058544 NGHMZEGAPGGVIG-XHDPSFHLSA-N 337.445 1.190 0 40 EDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 306135184 OKHYOGIAVDUJEQ-YOEHRIQHSA-N 330.428 1.559 0 40 EDAB Cn1cnc([C@@H]2CN(C(=O)NCc3ccc(Cl)cc3)C[C@H]2N)c1 1553420105 WNIDJOOHOMWXQO-ZIAGYGMSSA-N 333.823 1.710 0 40 EDAB NC(=O)C(=O)N[C@@H](c1ccccc1)C1(c2ccccc2)OCCO1 3847559 JQNUODYKNBGUFA-HNNXBMFYSA-N 326.352 1.229 0 40 EDAB biogenic CS[C@@H]1CCC[C@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 74065957 LXQHDPVZAXMYIH-HZPDHXFCSA-N 348.516 1.994 0 40 EDAB COC[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 218101127 UEGKXVRTHSEBQD-OKZBNKHCSA-N 347.436 1.979 0 40 EDAB COc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2)cc1OC 75161809 RESFRNCMKNKHLZ-UHFFFAOYSA-N 344.371 1.583 0 40 EDAB O=C(NCc1ccco1)NCc1ccccc1CN1CC[C@@H](O)C1 180493368 ISROTBQKANFTSS-MRXNPFEDSA-N 329.400 1.846 0 40 EDAB O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H]1CCCN1 225387446 JNVJQCODRAVLMW-HOTGVXAUSA-N 337.851 1.582 0 40 EDAB O=C(Cc1noc2ccccc12)NCCCc1cnc2ncnn2c1 225644924 OELJNQURJLHJKV-UHFFFAOYSA-N 336.355 1.557 0 40 EDAB CN1CC[C@@H]2CCN(S(=O)(=O)c3cccc4nsnc34)[C@@H]2C1 194801610 QDZCXGOCKXVRQL-ZYHUDNBSSA-N 338.458 1.406 0 40 EDAB COc1ccc(CNC(=O)Cn2cc3c(n2)c(C)nn3C)cc1OC 41124243 UBVWHVQMZOKGDZ-UHFFFAOYSA-N 343.387 1.412 0 40 EDAB Cc1cc(O)nc([C@@H](C)N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 192574924 SIWLJRRVOOTPTE-NVXWUHKLSA-N 342.443 1.903 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)c(F)cc1F 84656911 BDRZLYMOELHKSR-AWEZNQCLSA-N 340.351 1.778 0 40 EDAB CCn1c(=O)sc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc21 225688396 XKXAUFHFSUVDFE-SNVBAGLBSA-N 342.442 1.540 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@H](Oc2cnccn2)C1 225797324 ABFGDGGXYKEQDW-ZDUSSCGKSA-N 347.396 1.254 0 40 EDAB Cn1ccc(C(=O)N2CCN(Cc3cccc4cccnc34)CC2)n1 584906665 IZYQUGUOVNXBCY-UHFFFAOYSA-N 335.411 1.926 0 40 EDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3ccc(C)nc3)[C@@H]2C1 96209378 RDDFOIJJFSDLQR-BBWFWOEESA-N 333.432 1.198 0 40 EDAB CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1COc3ccccc3O1)CC2 97199157 SHWRVBZDKFCZKE-IUODEOHRSA-N 342.399 1.673 0 40 EDAB C[C@H]1CN(C(=O)c2cnccn2)C[C@@]12CCN(c1cccnc1)C2=O 96201750 SHHJVCSNJJBQRW-UGSOOPFHSA-N 337.383 1.387 0 40 EDAB C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@H]1CCc2ccc(F)cc21 96417737 LVVWXNUMKGPISI-YGRLFVJLSA-N 326.393 1.642 0 40 EDAB Cc1noc(CN2CCN(c3nc4ccccc4cc3CO)CC2)n1 96453667 UNFGITJXPCZAID-UHFFFAOYSA-N 339.399 1.741 0 40 EDAB CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1ccoc1)C2 96060855 OCQVAZOUZBNKOD-HNNXBMFYSA-N 333.436 1.569 0 40 EDAB Cc1ccoc1C(=O)N1CCc2ncc(CN3CCOCC3)n2CC1 96196912 RQPGZFZFWGFTEW-UHFFFAOYSA-N 344.415 1.315 0 40 EDAB O=C(NCc1ccccn1)[C@H]1CN(Cc2ccco2)C[C@H]2OCC[C@H]21 96065598 BZLVDGVKCAQZQQ-OKZBNKHCSA-N 341.411 1.828 0 40 EDAB Cn1nc(CNc2ncccn2)c2c1CN(C(=O)c1cccnc1)CC2 96084200 DDGZFXJHYKMQKG-UHFFFAOYSA-N 349.398 1.416 0 40 EDAB O=C(NC[C@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1)N1CCCC1 96208470 BZRMMPYYDQFENR-CRAIPNDOSA-N 345.447 1.800 0 40 EDAB COC(=O)c1cc(S(=O)(=O)N[C@@H]2Cc3ccccc3N(C)C2)c[nH]1 585134909 OYQHDQKYEJAJEJ-GFCCVEGCSA-N 349.412 1.141 0 40 EDAB Cn1cccc1C(=O)N1CCOC[C@@H]1c1nccc(NCC2CC2)n1 96220607 OSNDEKRIKOKYNU-OAHLLOKOSA-N 341.415 1.851 0 40 EDAB C[C@]1(c2ccccc2)CN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CCO1 585132106 OJXCZARTTPYTQF-JENIJYKNSA-N 330.428 1.624 0 40 EDAB c1ccc(CN2CCOC[C@]3(CCN(C4CCOCC4)C3)C2)nc1 96062332 MYCPVSZKMNYZCV-LJQANCHMSA-N 331.460 1.785 0 40 EDAB CN(C)C(=O)CN1CC[C@@]2(CCCN(Cc3ccsc3)C2)C1=O 96224172 ZDRYHRYMTRQVDU-QGZVFWFLSA-N 335.473 1.651 0 40 EDAB CO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1ccccc1Cl)C2 247952866 MPLAXUIAUHNZGE-NSHDSACASA-N 331.821 1.909 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1 257293888 QRPRCGYQRAPKOD-LBPRGKRZSA-N 334.401 1.146 0 40 EDAB COCCC(=O)N1CCC[C@H](c2nc(C)cc(-c3nccn3C)n2)C1 257298900 RNTSMIJEFFOWSB-AWEZNQCLSA-N 343.431 1.928 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)ccn1 257299082 RORLLWUAYCSRGO-CYBMUJFWSA-N 341.371 1.555 0 40 EDAB Cc1cc(C)n(CCCC(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)n1 257338925 YZLFWWMIOOOJSV-ZHALLVOQSA-N 348.491 1.774 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)OC[C@]1(C)O 257245214 IONQWRXKAYLKKZ-RDJZCZTQSA-N 336.407 1.560 0 40 EDAB CN(C)Cc1ccnc([C@@H]2CCCN2C(=O)COc2cccnc2)n1 257239324 HOUCVBFJUCSDIN-INIZCTEOSA-N 341.415 1.676 0 40 EDAB CNc1cc(C)nc([C@H]2COCCN2C(=O)COc2cccnc2)n1 257337592 YTKTZZNMMHGZPU-CQSZACIVSA-N 343.387 1.201 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](c2ccnc(-c3ccnn3C)c2)C1 257227296 FOOZMMXUSTZKAN-AWEZNQCLSA-N 349.460 1.468 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)n1 257275750 NQSNEXWGHIYLKQ-MRXNPFEDSA-N 343.431 1.337 0 40 EDAB CC[C@@H](C(=O)O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 263581110 WSYVFQXYRCVRHP-INIZCTEOSA-N 334.416 1.690 0 40 EDAB C[C@]1(NC(=O)c2ccc(CS(C)(=O)=O)o2)CCCC[C@H]1C(=O)O 262726356 GRGYFAWKILCLTM-NHYWBVRUSA-N 343.401 1.588 0 40 EDAB Cc1ccccc1-n1nc(C)c(CNC(=O)[C@@H]2CCCNC2=O)c1C 1614994323 FWTYUQAUCFXBAX-OAHLLOKOSA-N 340.427 1.940 0 40 EDAB Cc1cc(C2(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)CC2)on1 606446140 YSPVWTZGNSJRPV-CQSZACIVSA-N 331.416 1.779 0 40 EDAB CC(C)(C)OC(=O)c1c(NC(=O)NCCF)nc2n1CCOC2 1615548577 GLGVULZZENHMKZ-UHFFFAOYSA-N 328.344 1.460 0 40 EDAB CN(C)c1ccccc1CNS(=O)(=O)CCC1CCOCC1 292531486 VTOFPOJNBCRUFD-UHFFFAOYSA-N 326.462 1.989 0 40 EDAB COCC(=O)N1CC2(C[C@H](CCOc3cncc(C)n3)CCO2)C1 575405501 SVFHSCRWZJAZHT-CQSZACIVSA-N 335.404 1.208 0 40 EDAB O=C(C1CC(O)C1)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 585100884 YAXUEDUGTLWVBR-FLMHQWFMSA-N 332.400 1.381 0 40 EDAB Cc1ccccc1CN1Cc2ccnn2[C@@H](CCNS(C)(=O)=O)C1 585111851 CVNAXHCYEPPHLI-KRWDZBQOSA-N 348.472 1.688 0 40 EDAB CO[C@@H]1CN(C(=O)c2nonc2C)C[C@]12C[C@@H](c1ccccc1)CO2 585288410 ZYSZRBIDVWKICP-IIDMSEBBSA-N 343.383 1.792 0 40 EDAB Cc1cc(NC(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)no1 65939558 AFCVBPRKCNTIRX-UHFFFAOYSA-N 348.378 1.651 0 40 EDAB C[C@H](C(=O)NCCc1cccs1)N1CCO[C@H](Cn2cccn2)C1 69461694 DDWALVQASWMMLJ-CABCVRRESA-N 348.472 1.393 0 40 EDAB COCCN(Cc1ccc(F)cc1Cl)C(=O)CNC(=O)C1CC1 69775928 ZQBGEQYCJFRNSX-UHFFFAOYSA-N 342.798 1.980 0 40 EDAB C[C@H](O)CN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 69869998 ONICJZYSVLEUHP-INIZCTEOSA-N 342.443 1.330 0 40 EDAB CN(C(=O)c1ccc(C(F)(F)F)nc1)C1CN(c2cnccn2)C1 1776001472 VFQJFTQAGOJZGC-UHFFFAOYSA-N 337.305 1.851 0 40 EDAB O=c1cc(N2CCC[C@H](COc3ncccn3)C2)nc2ccccn12 1776001077 YGLDANGKSBTEHY-AWEZNQCLSA-N 337.383 1.780 0 40 EDAB O=c1c2cccnc2ncn1C[C@@H](O)COCc1ccccc1F 40488016 XVFPQMMSJVOPBP-CYBMUJFWSA-N 329.331 1.508 0 40 EDAB Cc1nc([C@H]2CCCN2CC(=O)NCc2ccc3c(c2)OCO3)no1 84280861 SJSUTRKXOFSUDD-CYBMUJFWSA-N 344.371 1.560 0 40 EDAB CN1CCN(C2CCN(CC[S@@](=O)c3ccccc3)CC2)C1=O 75604135 HXRDXZWKNMYCKN-QHCPKHFHSA-N 335.473 1.626 0 40 EDAB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cnn2ccccc12 84736404 KZKIUZDJAGXUOC-HIFRSBDPSA-N 336.461 1.484 0 40 EDAB CC(C)CS(=O)(=O)C1CN(C(=O)COc2ccccc2F)C1 96121967 BVQBYOXHRLXNTP-UHFFFAOYSA-N 329.393 1.486 0 40 EDAB O=S(=O)(c1cccc(Cl)c1)N1CCC(N2CC[C@H](O)C2)CC1 96104527 CGWCELWVKYRXCR-AWEZNQCLSA-N 344.864 1.560 0 40 EDAB CC(C)[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NCCOCCO 1615000897 GHEKGUXNPSJKGU-HNNXBMFYSA-N 330.469 1.867 0 40 EDAB COC[C@@H](O)CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 12406647 FTTXZNHPGZUVAX-LBPRGKRZSA-N 331.397 1.824 0 40 EDAB CO[C@H]1Nc2c(ccc(C)c2O)C(=O)N2C=C(/C=C\C(N)=O)C[C@@H]12 13366536 YRMCBQLZVBXOSJ-VMADHQJXSA-N 329.356 1.239 0 40 EDAB O=CN1CCN(c2nc(-c3cccc4ccccc34)cc(=O)[nH]2)CC1 14162225 WZVPBUKXJZTBTO-UHFFFAOYSA-N 334.379 1.869 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccc(C)c(C)c3)N2N1 14607171 IIIZOMQUGVWXQQ-CYBMUJFWSA-N 327.388 1.558 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3cc(C)cc(C)c3)N2N1 14607190 NPVYZZRMMSLXKA-ZDUSSCGKSA-N 327.388 1.558 0 40 EDAB CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)C4CCCC4)C3)ncc2C1 19018651 OMGINCYZIIXSOR-OAHLLOKOSA-N 342.443 1.887 0 40 EDAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1C(=O)c1ccccc1F 19286337 KPUUHMAJNFXTNN-NWDGAFQWSA-N 327.359 1.989 0 40 EDAB CC(C)CC(=O)N1CC[C@@H](c2nn(CCN(C)C)c3nccnc23)C1 19446236 CKVMXLSPBGJIRF-CQSZACIVSA-N 344.463 1.750 0 40 EDAB COCCn1cc(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)c2ccccc21 19576022 MHMTYEXTJXUBBW-CGTJXYLNSA-N 343.471 1.927 0 40 EDAB COCCOc1cccc(CN2C[C@H]3CNCC[C@@]3(NC(C)=O)C2)c1 19713616 KTNDVTUNXVNJTL-IEBWSBKVSA-N 347.459 1.012 0 40 EDAB COC(=O)/C=C/c1ccc(-c2ccc(S(=O)(=O)NC(C)=O)cc2)o1 226302125 SGANAQJSAWLWSD-UXBLZVDNSA-N 349.364 1.958 0 40 EDAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CC(N2C(=O)CCC2=O)C1 238809834 AAPVYHFHSFOJJA-UHFFFAOYSA-N 331.416 1.498 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)c1ccc2c(c1)OCCCO2 7287754 VZUOQNBOXRFMRD-UHFFFAOYSA-N 344.367 1.895 0 40 EDAB Cc1nc(N2CCCC2)cc(N2CCN(c3cnccn3)CC2)n1 1889077255 VQDLTVLRFPRISN-UHFFFAOYSA-N 325.420 1.502 0 40 EDAB O=S(=O)(NC1CN(c2ccccn2)C1)c1cc(F)cc(F)c1 1259315874 ZEOUZQHJVIOAJQ-UHFFFAOYSA-N 325.340 1.527 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 25301771 UAWYEHBQVXDCPU-HNNXBMFYSA-N 330.363 1.752 0 40 EDAB NC(=O)C1CCN(C(=O)CN2CCC[C@@H]2Cc2ccccc2)CC1 25359298 MOKRRASXJKTHCP-QGZVFWFLSA-N 329.444 1.417 0 40 EDAB COc1cc(C)ccc1CN1CCO[C@]2(COCC(=O)N(C)C2)C1 2037983796 GIMKIHZPVHSSGL-SFHVURJKSA-N 334.416 1.063 0 40 EDAB CCn1cc(CN2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)c(C)n1 2037984000 NBQZUWJEFJXKFR-SFHVURJKSA-N 334.464 1.671 0 40 EDAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OC)c(O)c1 85413685 JKVQFTBSHMHNSH-DZGCQCFKSA-N 332.308 1.728 0 40 EDAB O=C(CC1CCOCC1)N1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 2056223969 JQZQFYJYWVMWLR-ROUUACIJSA-N 345.443 1.310 0 40 EDAB Cc1cc(N2C[C@@H]3CN(C(=O)[C@H](C)n4cccn4)C[C@H]3C2)ncn1 2087132263 FKQZILHVEFBUEO-RRFJBIMHSA-N 326.404 1.137 0 40 EDAB Cc1c(C(=O)C(=O)N2CCC(C(N)=O)CC2)c2ccccc2n1C 4030353 XCMLARXJPGCWDV-UHFFFAOYSA-N 327.384 1.393 0 40 EDAB CCOc1ccc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 4632250 JFJIGPZKTYYUGM-QIIPPGSGSA-N 346.383 1.742 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cc(=O)c2ccccc2o1 10255828 FVYPJWYBFBLOTH-AWEZNQCLSA-N 334.331 1.850 0 40 EDAB Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1775969442 RQZVKQHMPODLAH-UHFFFAOYSA-N 345.399 1.156 0 40 EDAB O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)NC[C@H]1CCCO1 49026282 ANAPTRLUVINXNG-GFCCVEGCSA-N 339.342 1.502 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](n3cnc4ccccc4c3=O)C2)n[nH]1 575617858 RURDJEPLHXBYHM-ZDUSSCGKSA-N 337.383 1.905 0 40 EDAB O=C(COc1ccc2ccccc2c1)NCCN1C(=O)COC1=O 575616708 NXOJTRWPLGTCQD-UHFFFAOYSA-N 328.324 1.314 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c2cnn(C(C)C)c2n1 40477582 ZGEIOGCKGAODES-NSHDSACASA-N 336.417 1.238 0 40 EDAB CC(=O)NCCNC(=O)Nc1ccc(I)cc1 40525683 FYZOVDBYUUHZOV-UHFFFAOYSA-N 347.156 1.549 0 40 EDAB Cc1cc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)[nH]n1 51319651 MNYHOYJOIOVYOM-UHFFFAOYSA-N 327.319 1.720 0 40 EDAB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1(C)C 32242737 RAEBDELUFFUJKX-DOTOQJQBSA-N 333.476 1.648 0 40 EDAB C[C@H](NC(=O)N[C@H](C)[C@@H]1CCCO1)c1ccc2c(c1)NC(=O)CO2 41375221 DUXVTOKKHVKRNI-WDMOLILDSA-N 333.388 1.945 0 40 EDAB C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCCc1ccccc1 52802914 SGNRPRQCFSVNBF-RDJZCZTQSA-N 331.460 1.663 0 40 EDAB COc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O 22616470 WRNPUGCBRJGUFB-OAHLLOKOSA-N 327.384 1.591 0 40 EDAB O=C(NCCN1CCc2ccccc21)c1ccnc(-n2cncn2)c1 54097275 HFLAWROFNVKWRO-UHFFFAOYSA-N 334.383 1.455 0 40 EDAB CN(C)[C@H](C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1 83021597 VUERGEPXMHMVGV-SJORKVTESA-N 345.443 1.185 0 40 EDAB C[C@@H]1C[C@H](c2ccccc2)N2NC(NC(=O)CCCC(=O)O)=NC2=N1 33902892 GKVNAJZHAUBRTQ-DGCLKSJQSA-N 343.387 1.423 0 40 EDAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2csnn2)N1)OCCCO4 54681335 XWZBCOLMPWBWNC-GFCCVEGCSA-N 343.372 1.145 0 40 EDAB CC[C@H](CO)NC(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C 47601163 AXLNPUMCAYAVHR-UKRRQHHQSA-N 332.404 1.588 0 40 EDAB CC(=O)NCCNC(=O)CCCOc1ccccc1Br 47718257 VLSYAKARRKRXQE-UHFFFAOYSA-N 343.221 1.860 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@H](C)[C@H](N(C)C)C1 78894417 UHIQCWICPXNBPQ-XHDPSFHLSA-N 330.436 1.082 0 40 EDAB O=C(c1ccoc1)N1CCC(Nc2nnnn2-c2ccccc2)CC1 24206614 IXEOCKFMJRJSQA-UHFFFAOYSA-N 338.371 1.972 0 40 EDAB CCCCOc1cccc(C(=O)NC(=S)Nc2nnn(CC)n2)c1 6397796 QMPBSRCMEVIDOA-UHFFFAOYSA-N 348.432 1.999 0 40 EDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C[C@@H](O)CN1CCOCC1 106908524 ATQPTZKPIVYMAB-UONOGXRCSA-N 342.871 1.212 0 40 EDAB Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1F 56037153 NMBYGACBSIDKRG-GFCCVEGCSA-N 347.433 1.474 0 40 EDAB COc1ccc(CCCNC(=O)N2CCC(CC(N)=O)CC2)cc1 56488933 ZNEPTSQRWMOBRN-UHFFFAOYSA-N 333.432 1.925 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1cn(Cc2ccccc2)nn1 26347368 CZXCXWCLAUCQAO-UHFFFAOYSA-N 347.382 1.342 0 40 EDAB c1ccc(-n2nnnc2N2CCN(CCCc3cn[nH]c3)CC2)cc1 72560787 MCSOCPXYOSDOAZ-UHFFFAOYSA-N 338.419 1.140 0 40 EDAB CC(C)COc1cccc(C(=O)NC(=S)Nc2nnn(C)n2)c1 8053614 QUFKYBADBMIZLH-UHFFFAOYSA-N 334.405 1.372 0 40 EDAB Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)NCc3ccccc3)nn12 8391138 TXNYQOUMBSQRBQ-GFCCVEGCSA-N 339.355 1.294 0 40 EDAB COC(=O)C1=C(Cn2ccnc2)N(C)C(=O)N[C@@H]1c1ccccc1 26911038 KZYBCVWOGSFVEU-OAHLLOKOSA-N 326.356 1.707 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 10092434 UGGRZERZMGUNGQ-AWEZNQCLSA-N 348.366 1.942 0 40 EDAB CC(C)=C[C@@H]1[C@@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)C1(C)C 44778070 MSSOCOWATLNWTN-KGLIPLIRSA-N 328.478 1.765 0 40 EDAB C[C@H](C(=O)NC(N)=O)N(C)Cc1cc(Br)ccc1F 58184518 FCBZSMJSSFJSRT-SSDOTTSWSA-N 332.173 1.603 0 40 EDAB C[C@H]1CN(CCNC(=O)NC[C@@H](c2ccco2)N(C)C)C[C@@H](C)O1 44949313 DKKQNGKTJBBERR-ZNMIVQPWSA-N 338.452 1.291 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCCCO3)C1 58357803 MZKCCWOQODCWRA-CQSZACIVSA-N 333.388 1.980 0 40 EDAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)CCNC(C)=O)c1 95348756 CFAJTJSMJLXAOG-UHFFFAOYSA-N 333.388 1.538 0 40 EDAB O=C(CN1CCSC1=O)N1CCC(c2nnc3ccccn23)CC1 28736571 PALKAEIPDRBUOE-UHFFFAOYSA-N 345.428 1.604 0 40 EDAB O=C(NCc1nc(-c2ccccn2)no1)c1cccc(-n2ccnn2)c1 95439508 GDSUTZLYGXEAQQ-UHFFFAOYSA-N 347.338 1.642 0 40 EDAB O=C(Cc1noc2ccccc12)NCc1ccc(-n2cncn2)nc1 46714216 GPHZUZMEWCSYBN-UHFFFAOYSA-N 334.339 1.662 0 40 EDAB O=C(COC(=O)c1ccccc1Br)NC[C@@H]1CCCO1 3237875 GJBWQMIHTOXORA-JTQLQIEISA-N 342.189 1.901 0 40 EDAB CCn1nnc2cc(C(=O)NCc3nnc4n3CCCCC4)ccc21 48291088 VVBWBLWXJDNYAC-UHFFFAOYSA-N 339.403 1.699 0 40 EDAB C[C@@H](CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1C 48235386 GSKOYZJJDRGXGL-HZSPNIEDSA-N 331.482 1.078 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)Cn1nc(C)c2ccccc2c1=O 48273389 NNKNZNPMDGHIHN-CQSZACIVSA-N 329.400 1.590 0 40 EDAB Cn1cc(C(=O)NC2CC3(CCN(Cc4ccccn4)CC3)C2)cn1 108534339 HPWQYLGSIJVIEQ-UHFFFAOYSA-N 339.443 1.990 0 40 EDAB CCN(C(=O)COC(=O)c1nc2nccc(C)n2n1)c1ccccc1 3411662 OWRMFIQQTCODMH-UHFFFAOYSA-N 339.355 1.643 0 40 EDAB C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 48615082 KIVBOMIUJXSSMJ-WMLDXEAASA-N 335.423 1.631 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 95966225 TZVSEOHCWBEICQ-LBPRGKRZSA-N 330.306 1.569 0 40 EDAB COc1ccccc1OCC(=O)N[C@H](Cc1ccccc1)C(=O)O 64872765 FYAZAFNEVTUHAV-CQSZACIVSA-N 329.352 1.886 0 40 EDAB C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@@H](C)C1 9337803 ZTKRXFXWKXDYOD-NEPJUHHUSA-N 325.434 1.393 0 40 EDAB Cc1nn(C)c(N(C)C)c1CN[C@@H]1CCN(Cc2ccccc2)C1=O 65474759 FENSTVTVMWFXHW-QGZVFWFLSA-N 341.459 1.685 0 40 EDAB CCC[C@@H](C)N1C[C@H](C(=O)NCCNC(=O)c2ccoc2)CC1=O 65412887 DKRBXLUOQYGXBU-TZMCWYRMSA-N 335.404 1.163 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 6340851 ICNCQXIQXPSHFL-HZPDHXFCSA-N 330.409 1.754 0 40 EDAB C[C@H](NC(C)(C)CNS(=O)(=O)N1CCOCC1)c1ccccc1 65565893 REWJUMRZSBMUGN-AWEZNQCLSA-N 341.477 1.282 0 40 EDAB COC[C@H](C)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 14167428 XHXUXXFFUMRHJN-VIFPVBQESA-N 335.429 1.557 0 40 EDAB NC(=O)[C@H]1CN(c2nc(-c3ccccc3)c3ccccc3n2)CCN1 14142066 OXGAMONYLISTJQ-MRXNPFEDSA-N 333.395 1.560 0 40 EDAB CC(C)c1ccc(C(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)cc1 4606923 JEXMZCOZVZZTTQ-UHFFFAOYSA-N 326.356 1.430 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)c1cccs1 86001128 PFCHSFPPLBRIPH-VIFPVBQESA-N 348.881 1.716 0 40 EDAB O=c1c2cnn(-c3ccccc3)c2ncn1Cc1nnc(C2CC2)o1 78917450 YJXBVLSEZJFHCR-UHFFFAOYSA-N 334.339 1.891 0 40 EDAB COC[C@@H](O)CN(C)C(=O)NCCc1ccc(-n2cccn2)cc1 89340094 UICQZUVAWKYYSB-INIZCTEOSA-N 332.404 1.064 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NCCCOC2CCCC2)c1 61525351 RAYCSRZVNHHDSP-UHFFFAOYSA-N 340.445 1.674 0 40 EDAB CCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 7278215 COGXRJZTGIEVRL-SFHVURJKSA-N 347.415 1.767 0 40 EDAB COC(=O)CSc1ncn(S(=O)(=O)c2cc(C)ccc2C)n1 9547356 YJXBJQSCJSJDTP-UHFFFAOYSA-N 341.414 1.397 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)N[C@H]2CCc3nnc(C)n3C2)c1 65589539 XLADYYNEDANQKU-WFASDCNBSA-N 344.415 1.631 0 40 EDAB Cc1ccc(CC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 71884355 SEKYYGQBFXVPPQ-UHFFFAOYSA-N 342.486 1.032 0 40 EDAB O=C(NCc1ccco1)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858485 GSXZUOSFROZDQP-UHFFFAOYSA-N 334.353 1.276 0 40 EDAB CC(C)(C)NC(=O)[C@@H]1CCCCN1CCC(=O)N1CCOCC1 71897254 GMTRQHDTWNFBAL-AWEZNQCLSA-N 325.453 1.005 0 40 EDAB O=C(CN1CCn2c(nnc2C2CC2)C1)N1CCO[C@@H]2CCCC[C@H]21 71880286 IJKUICYDMJGQAW-HUUCEWRRSA-N 345.447 1.141 0 40 EDAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(CC)cc1 218438458 BRXZXGWTOHDPCK-OFQRWUPVSA-N 325.430 1.410 0 40 EDAB C/C(=C\C(=O)NCCS(N)(=O)=O)C12CC3CC(CC(C3)C1)C2 83812944 DINGHVFXQZWVAJ-NYYWCZLTSA-N 326.462 1.554 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)o1 71914860 AYQUNUWMLQTRQH-AWEZNQCLSA-N 348.424 1.939 0 40 EDAB C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCCC[C@H]1CC(N)=O 71903868 QCWOKMCGEGJCEK-JSGCOSHPSA-N 332.404 1.453 0 40 EDAB CCCNC(=O)CCC(=O)N1CCC(c2nnc3ccccn23)CC1 69155050 YKDRECCJQQFDFV-UHFFFAOYSA-N 343.431 1.742 0 40 EDAB COc1ncccc1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 72049162 DZOQPAMNWKENKJ-UHFFFAOYSA-N 343.387 1.598 0 40 EDAB CCn1cnnc1[C@@H]1CCCN(c2ncnc(-n3cccn3)c2N)C1 91627124 YQKUKFWITXTDDG-GFCCVEGCSA-N 339.407 1.240 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCN(C(=O)Nc2cccnc2)CC1 69561996 TVGIVQVNABMGRP-UHFFFAOYSA-N 343.387 1.605 0 40 EDAB C[C@H](NC(=O)CSc1nnnn1C1CCOCC1)c1ccccc1 69561886 BQEJMGXBCZNHOB-LBPRGKRZSA-N 347.444 1.994 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cccn1)NCCOc1ccccc1 69626690 DJDUAIVUPQWHIC-MRXNPFEDSA-N 328.416 1.543 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)Nc3nccs3)C2)n1 69701394 WUXDNGGTNFCJAZ-ZDUSSCGKSA-N 334.449 1.702 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C(N)=O)c2ccccc21 69704168 MTVCZACTNQNPBT-ZDUSSCGKSA-N 334.372 1.912 0 40 EDAB Cc1cc(C)n2nc(C(=O)NCC[S@](=O)c3ccccc3)nc2n1 69737278 DHJQMNIILVYXTI-XMMPIXPASA-N 343.412 1.279 0 40 EDAB CCOC(=O)[C@H]1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2 95829440 GCAUESGDXGLLIE-LLVKDONJSA-N 326.393 1.313 0 40 EDAB C[C@@H](C(N)=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2Cl)CC1 69844627 DKOBUWZYZNUUPH-NWDGAFQWSA-N 339.823 1.125 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2CC(=O)Nc2nncs2)n1 69926509 HGVRITYZSDRHFC-CYBMUJFWSA-N 334.449 1.845 0 40 EDAB C[C@@H](NC(=O)CN[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 69952087 PFJIDZSJWCYMNH-WBVHZDCISA-N 339.443 1.912 0 40 EDAB COC[C@H](C)N1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)CC1 95978799 KKRFYRBJRRNBLT-MAUKXSAKSA-N 349.450 1.974 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCCc3ncccc32)c1 8708574 KUAFWXDPODQINR-UHFFFAOYSA-N 345.424 1.925 0 40 EDAB C[C@@H](NC(=O)COC(=O)c1ccc(CNC(N)=O)cc1)c1ccco1 8718542 ZGDTWTWOYLJDPL-LLVKDONJSA-N 345.355 1.482 0 40 EDAB CNC(=O)NCC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 97080028 HJLBORVKIOLWGK-SNVBAGLBSA-N 325.237 1.613 0 40 EDAB CCCCC(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccn1C 306142776 XJGLYCWEHIJWTC-OAHLLOKOSA-N 347.459 1.953 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2cccs2)[C@@H]1c1ccccc1 72237872 KREUOBQILBFKSK-JKSUJKDBSA-N 330.409 1.963 0 40 EDAB CC(=O)N[C@H](CC(=O)N[C@@H]1CCc2nccn2C1)c1ccc(C)cc1 97197468 LNNLJDCPNROYAX-IAGOWNOFSA-N 340.427 1.890 0 40 EDAB C[C@@H](NC(=O)C=C1CCC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 97227530 AHXPKYKBASKJSX-LLVKDONJSA-N 325.372 1.654 0 40 EDAB Cc1cccc(OCCSCC(=O)N[C@@H]2CCCCNC2=O)c1 89677770 XSWUTUQGYIVEGN-OAHLLOKOSA-N 336.457 1.892 0 40 EDAB Cc1noc(CN2CCN(c3cncc(OCC(C)C)n3)CC2)n1 89721158 VBAQMGYBJHJCRA-UHFFFAOYSA-N 332.408 1.525 0 40 EDAB O=C(NCc1ccnc(-n2ccnc2)c1)N[C@H]1CCN(CC2CC2)C1 89884802 YEFGTRIILYEVTR-INIZCTEOSA-N 340.431 1.551 0 40 EDAB O=C(c1ccnn1C1CCCC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 89885068 NCRWINVAOSZAFS-CQSZACIVSA-N 337.445 1.790 0 40 EDAB CCN(CC)[C@@H](C)CNC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 89967749 IUGFEPOKGMJMII-WMLDXEAASA-N 337.468 1.407 0 40 EDAB C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 89904083 XLXZFSXOAFLKMQ-DGCLKSJQSA-N 344.864 1.716 0 40 EDAB CC1(C)CN(S(=O)(=O)c2c[nH]c3ncccc23)CC[S@@]1=O 89919668 WLPMUCWEXNCJAD-HXUWFJFHSA-N 327.431 1.095 0 40 EDAB CN1C(=O)N[C@](C)([C@H]2CCCN(Cc3nc(C4CC4)no3)C2)C1=O 89914285 MXRMFLDIZVSTIE-MEDUHNTESA-N 333.392 1.099 0 40 EDAB CN(C)c1ccc(CNc2cc(N3CCC[C@H]3CO)ncn2)cn1 75584638 PQZACJDKVACHIJ-AWEZNQCLSA-N 328.420 1.511 0 40 EDAB NC(=O)c1cn(-c2cc(C(F)(F)F)nc(-c3ccccn3)n2)cn1 75610237 FMXFLBLJEJTWDR-UHFFFAOYSA-N 334.261 1.842 0 40 EDAB O=C(NC[C@]1(O)CCCc2occc21)[C@@H]1COc2ccccc2O1 1565523016 XJXPRGBJKAVCLD-FUHWJXTLSA-N 329.352 1.760 0 40 EDAB O=C(O)c1ccccc1CCNS(=O)(=O)C[C@H]1CCCCO1 547592166 UQLTYCLETQIPOT-CYBMUJFWSA-N 327.402 1.416 0 40 EDAB CC1(C)CC(NC(=O)C(=O)NCc2ccc(F)cc2)CC(C)(C)N1 170380447 BUAJWUNPCNWATL-UHFFFAOYSA-N 335.423 1.867 0 40 EDAB Cc1cocc1C(=O)N1C[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)C(C)(C)C1 1008355272 ODYNSNSFGJVZTI-ACJLOTCBSA-N 347.415 1.081 0 40 EDAB COCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408558996 KVCCUSUYEWDOJW-LBPRGKRZSA-N 336.413 1.269 0 40 EDAB COc1ccc(S[C@@H](C)C(=O)N2CCN(C=O)CC2)cc1OC 30857173 GTWFSJNLVATYRI-LBPRGKRZSA-N 338.429 1.485 0 40 EDAB CC(=O)NC(C)(C)c1noc(CN2C(=O)CCc3ccccc32)n1 72548885 SRNOYUHAUXUHLL-UHFFFAOYSA-N 328.372 1.920 0 40 EDAB COc1cccc(NC(=O)Cn2cnc3c(C)n(C)nc3c2=O)c1 32647430 YYZPNOXKHHKUBF-UHFFFAOYSA-N 327.344 1.086 0 40 EDAB CC(C)[C@H]1CN(C)CCN1C(=O)Cc1nc(C2CCOCC2)n[nH]1 1548650789 GSOQYAXLHWWVSW-CQSZACIVSA-N 335.452 1.040 0 40 EDAB CN(C)CCNc1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1 72365002 GGYZWEYJPWIBCW-ZDUSSCGKSA-N 326.466 1.194 0 40 EDAB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccncc1 71980361 ARLLZWYJGYQFEB-AWEZNQCLSA-N 333.388 1.209 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc2cc(C(F)(F)F)ccc2o1 185519052 FXXIWQXHXGVPFE-KOLCDFICSA-N 344.289 1.955 0 40 EDAB CNCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3nncs3)n2)C1 72360917 UQHIWYZANUIZRT-NSHDSACASA-N 347.448 1.306 0 40 EDAB Cc1ccc(CCNC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cn1 188704959 DYPALFXLIZDZLU-OAHLLOKOSA-N 334.464 1.419 0 40 EDAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)NCc3cccnc3)cc2o1 80633614 GTFFOJLVORNCKM-UHFFFAOYSA-N 339.760 1.648 0 40 EDAB C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCS[C@H](C)CC1 192169609 JQGMUVPSFPHRMQ-BDAKNGLRSA-N 327.372 1.590 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)NCCc2ccccc2)C1 225389310 WXHVVVITCOQWFV-HNNXBMFYSA-N 342.399 1.891 0 40 EDAB COc1cc(Sc2ncccn2)nc(NC(=S)NC2CC2)n1 226002755 MRJRLRINCACESY-UHFFFAOYSA-N 334.430 1.875 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 195533314 HORRYLYPQNPMQM-MJBXVCDLSA-N 335.452 1.297 0 40 EDAB O=C(NCCN1CCc2c(Cl)cccc2C1)N[C@@H]1C=C[C@H](CO)C1 190666746 LJIOOKCJLOJPPM-DZGCQCFKSA-N 349.862 1.934 0 40 EDAB Cn1cncc1C(=O)N1CCN(Cc2cccc3cccnc23)CC1 585084331 CMLLRLIEHOFDFB-UHFFFAOYSA-N 335.411 1.926 0 40 EDAB CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN1CC[C@@H](C(N)=O)C1 585086179 XJJQQQZMZQSZAE-MNOVXSKESA-N 333.379 1.438 0 40 EDAB CC[C@@H](CNC(=O)CCOc1ccc(C=O)cc1OC)C(=O)OC 585089835 KIKFMPAJGNBEOV-ZDUSSCGKSA-N 337.372 1.592 0 40 EDAB Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)C(F)(F)C2(O)CCCC2)n1 583620979 YXOUZCSATRDZFY-KOLCDFICSA-N 345.346 1.607 0 40 EDAB CN(C)C(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 96239032 BTUVYUATSSFTAP-QGZVFWFLSA-N 331.372 1.526 0 40 EDAB O=C(c1ccsc1)N1C[C@H]2CN(CCN3CCCC3)C(=O)[C@H]2C1 96245058 SRRVCIVRTWMKQB-CABCVRRESA-N 333.457 1.374 0 40 EDAB O=C(c1ncccn1)N1CC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 96107812 GMVUIQRALDWBPS-QAPCUYQASA-N 340.383 1.462 0 40 EDAB Cc1csc(C[C@H]2OC[C@H]3CN(S(=O)(=O)C4CC4)CC[C@H]32)n1 96208096 KMBRYWZIIOXIPY-MRVWCRGKSA-N 342.486 1.823 0 40 EDAB CN1CCN([C@H]2COC3(CCN(C(=O)c4ccsc4)CC3)C2)CC1 96048854 UJAFUTQCMJOCGM-MRXNPFEDSA-N 349.500 1.759 0 40 EDAB CC1CCN(C[C@@H](O)CN(C)S(=O)(=O)c2ccccc2F)CC1 95438725 GICXDLNLIWQVSC-AWEZNQCLSA-N 344.452 1.539 0 40 EDAB O=C(N[C@H]1CCC12CCN(C(=O)N1CCCC1)CC2)c1cnccn1 96078365 SZGLXUGEWJHZGN-HNNXBMFYSA-N 343.431 1.667 0 40 EDAB O=C(C1CC=CC1)N1CC[C@]2(CCC[C@H](CN3CCOCC3)O2)C1 96207033 ZHSYVJZZSLJXLJ-IEBWSBKVSA-N 334.460 1.825 0 40 EDAB COCc1nc2n(n1)CCC[C@H]2N[C@H]1CCN(c2ccccc2)C1=O 96472264 MYYRDXSEYBSLOI-CABCVRRESA-N 341.415 1.655 0 40 EDAB CCN1C[C@@]2(CC1=O)CN(Cc1ccc(F)cc1)CCN(C(C)=O)C2 96036138 VJEMMPVTAJCATL-LJQANCHMSA-N 347.434 1.728 0 40 EDAB CN(C)C(=O)CN1CC[C@]2(CCCN(Cc3cccs3)C2)C1=O 96224173 BKCHZKXWSLVVOF-KRWDZBQOSA-N 335.473 1.651 0 40 EDAB Cc1nnc(NC[C@@H]2CO[C@@]3(COCCN(Cc4ccco4)C3)C2)o1 96240588 AMBVFMFBNRANQC-PBHICJAKSA-N 348.403 1.691 0 40 EDAB Cc1ccc(N[C@H]2CO[C@@]3(CCCN(c4nncs4)C3)C2)nn1 96073786 HYEVTKWTLYQWPF-DOMZBBRYSA-N 332.433 1.877 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)NCc1nnc2c(Cl)cccn12 585128019 PRCDVMPDUXZXBX-WDEREUQCSA-N 338.795 1.583 0 40 EDAB O=C(C1CCN(C2CCN(CC3CC3)CC2)CC1)N1CCOCC1 96260822 AUHKNYRBRYJVPJ-UHFFFAOYSA-N 335.492 1.432 0 40 EDAB CN1CCc2c(cccc2S(=O)(=O)NCC(C)(C)CCCO)C1 585115772 RHPGPRGRNVIGAX-UHFFFAOYSA-N 340.489 1.752 0 40 EDAB CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCNCC1 96523437 AXPXSRLNZHEHCB-GFCCVEGCSA-N 331.482 1.501 0 40 EDAB Cn1cccc1[C@H]1COCCN1C(=O)c1ccc(N2CCCC2)nn1 97095799 SHLQJJVPQGKVJJ-MRXNPFEDSA-N 341.415 1.629 0 40 EDAB COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC(N)=O 96420639 GUZRLLAACATENK-NSHDSACASA-N 343.221 1.246 0 40 EDAB Cn1c(=O)oc2ccc(C(=O)N3CCC[C@@H](Cc4ccn[nH]4)C3)cc21 257272733 NDPLAEWLDMLUKG-LBPRGKRZSA-N 340.383 1.950 0 40 EDAB C[C@]1(O)CN(CC(=O)N2CCCC2)CC[C@@H]1Oc1cccc(F)c1 257256451 KLNVFDPXJJHZEN-WMZOPIPTSA-N 336.407 1.652 0 40 EDAB Cc1ncncc1C(=O)N(C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257258365 KTOKTJUCVKNGLB-BZUAXINKSA-N 328.372 1.223 0 40 EDAB CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)Cc1ccsc1 257237039 HEXSXPZEIITYDT-INIZCTEOSA-N 332.429 1.180 0 40 EDAB O=C(N[C@H]1CS(=O)(=O)c2ccccc21)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 252587620 ZMJKSAPOJZCEPC-WYBKVBSMSA-N 332.425 1.859 0 40 EDAB CN(C)S(=O)(=O)N1CCC(c2cnc(-c3ncco3)cn2)CC1 257280141 OJQLRKPHPKDNAO-UHFFFAOYSA-N 337.405 1.117 0 40 EDAB Cc1ccncc1CN1CCOC[C@@H]1c1[nH]ncc1S(C)(=O)=O 257228916 FVVXFOQBABEVLX-CYBMUJFWSA-N 336.417 1.090 0 40 EDAB CNC(=O)c1cccc([C@H]2CNCCN2Cc2csc(C)n2)c1 257201456 AHUOEXNPZKGWLU-MRXNPFEDSA-N 330.457 1.958 0 40 EDAB CNC(=O)c1cnn2c([C@H]3CCCCN3C(=O)C3CCC3)ccnc12 257307297 SYBLAUDBOYCPQL-CQSZACIVSA-N 341.415 1.943 0 40 EDAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)Cn2ccc(C(F)(F)F)n2)[C@H]1O 257207896 BJVCRWLIWAOCKV-JTNHKYCSSA-N 349.353 1.679 0 40 EDAB Cn1cnc(C(=O)N2CCCC[C@H]2c2cc(O)n3ccnc3n2)c1 257317414 VJQVSLWGWNLKSS-ZDUSSCGKSA-N 326.360 1.536 0 40 EDAB CCOC(=O)c1c[nH]n(C2CCN(C[C@H]3CCC=CO3)CC2)c1=N 252496590 PMLDWWCVVBIPJI-CQSZACIVSA-N 334.420 1.802 0 40 EDAB Cc1nc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)c[nH]1 264834787 JVVLFFWSNNNOFU-UHFFFAOYSA-N 348.428 1.255 0 40 EDAB CC(=O)N[C@H](CC(C)C)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 263585282 GZYUXKVCNFJXRU-ARFHVFGLSA-N 345.443 1.345 0 40 EDAB biogenic COC(=O)c1ncoc1CCC(=O)Nc1cccc2c1OCCC2=O 597487329 LZZLUVROBYMCOL-UHFFFAOYSA-N 344.323 1.998 0 40 EDAB CC(C)(C)n1cnc(C(=O)Nc2cnn(CCN3CCCCC3)c2)n1 1614998055 RJKQJKALMRMVDU-UHFFFAOYSA-N 345.451 1.968 0 40 EDAB CN1CCN(c2ncc(S(=O)(=O)N3CCCC3)cc2Cl)CC1 1615046112 XKDFJQPGMKDGBR-UHFFFAOYSA-N 344.868 1.271 0 40 EDAB CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1conc1C(C)(C)N)CC2 1615054526 HWRHTAZUPYTJEX-LBPRGKRZSA-N 331.420 1.933 0 40 EDAB CN(C)c1ccc(CNC(=O)N2CCC[C@H]2Cn2cncn2)cn1 602299364 WJBIRYMDLLOUMP-AWEZNQCLSA-N 329.408 1.113 0 40 EDAB C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)C1CCC1 585096295 GHQADZDYGPOJEE-LBPRGKRZSA-N 330.432 1.655 0 40 EDAB CCOc1cc(N[C@@H]2CCCCN(Cc3nc(C)no3)C2=O)ncn1 585088445 QDZIVPZKJVYMSM-GFCCVEGCSA-N 346.391 1.560 0 40 EDAB CCn1cc(CN2Cc3cccn3C[C@@H](Oc3ncccn3)C2)cn1 585112118 LPPJJDBTLPCKLC-KRWDZBQOSA-N 338.415 1.958 0 40 EDAB CC(=O)Nc1ccc(O)c(C(=O)N2CCN(c3nccs3)CC2)c1 55160390 CWPJDFULBAUHTO-UHFFFAOYSA-N 346.412 1.770 0 40 EDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cc(C)no2)cc1OC 84124169 FTQRIYCPPDQOIN-NSHDSACASA-N 334.328 1.946 0 40 EDAB CCOc1cc(N2CC[C@](NC(C)=O)(c3nc(C)cs3)C2)ncn1 547680775 BCGZCRUBHSPVAW-MRXNPFEDSA-N 347.444 1.882 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NCc3ccco3)n2)o1 12182587 VYVGBQQHKNZUFV-UHFFFAOYSA-N 328.328 1.303 0 40 EDAB O=C1O[C@@H](C(=O)NC[C@H]2COc3ccccc3O2)Cc2ccccc21 12890650 LPPQHSVJEPBFHA-SUMWQHHRSA-N 339.347 1.724 0 40 EDAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(C)c(O)n2)c1 17835376 IQDJTTSMBFZCCL-UHFFFAOYSA-N 348.384 1.793 0 40 EDAB Cc1cc2nc(CNC(=O)Cc3sc(C)nc3C)cc(O)n2n1 19130095 RNDJGEFLWXQUKW-UHFFFAOYSA-N 331.401 1.676 0 40 EDAB Cc1nc(C)n(CC(=O)Nc2ccc(N3CCOCC3)c(F)c2)n1 19285799 YHZUYPQYVVWPIH-UHFFFAOYSA-N 333.367 1.509 0 40 EDAB CCC(=O)N1CCCC[C@@H]1c1nc(CN(C)C(C)=O)cc(N(C)C)n1 19709904 HRTSCVSIINNFPV-OAHLLOKOSA-N 347.463 1.985 0 40 EDAB CN(C)c1ncccc1CN1CCO[C@@H](C(=O)Nc2ccccc2)C1 19747656 XWJRHEMARMQYGH-QGZVFWFLSA-N 340.427 1.987 0 40 EDAB COc1ccc(NC(=O)C(=O)NCC2CCN(C)CC2)c(OC)c1 22999018 WCSFAUVBMUAXOP-UHFFFAOYSA-N 335.404 1.100 0 40 EDAB COc1ccc(Cn2nccc2NC(=O)CN2CCCNC2=O)cc1 590712083 QWISGHSXASEBRO-UHFFFAOYSA-N 343.387 1.294 0 40 EDAB Cc1cnc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)nc1 1888897940 BMSNYJAJSJXSRZ-UHFFFAOYSA-N 325.420 1.502 0 40 EDAB O=C([C@H]1CN(Cc2cn3ccccc3n2)CCO1)N1CCSCC1 1889119600 VQODDNKHHWWRFV-OAHLLOKOSA-N 346.456 1.111 0 40 EDAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCc1ccccc1 36391767 ULNDFBRTWDBBLV-UHFFFAOYSA-N 337.423 1.761 0 40 EDAB Cc1ccccc1OCC(=O)NCc1cc(-c2cnccn2)nn1C 244933318 CMBBQYUGTPQGNE-UHFFFAOYSA-N 337.383 1.881 0 40 EDAB O=C1CC[C@@H]2[C@@H](CCN2C(=O)c2cc[nH]n2)N1Cc1ccncc1 1565550212 UQRZUCOTSGAZKQ-HUUCEWRRSA-N 325.372 1.210 0 40 EDAB COc1cccc(C(=O)OCn2nnc3ccccc3c2=O)c1OC 428841 AEMIMRJYJLQWBM-UHFFFAOYSA-N 341.323 1.623 0 40 EDAB CCc1cnc2c(c1NCc1cccnc1)c(=O)n(C)c(=O)n2C 12227039 MHTZMACZNXEBGE-UHFFFAOYSA-N 325.372 1.202 0 40 EDAB COC(CN1CC2=C(C1=O)[C@@H](c1ccccc1C)NC(=O)N2)OC 12346029 WHKZPRJMYODQSR-OAHLLOKOSA-N 331.372 1.064 0 40 EDAB COc1ncccc1C(=O)N[C@H]1CCc2onc(CN(C)C)c2C1 2055730248 POJUABCPSJZERY-NSHDSACASA-N 330.388 1.427 0 40 EDAB O=S(=O)(c1cccc2cccnc12)N1CCC(n2ccnn2)CC1 206941794 KQKVYXBVPPNWDG-UHFFFAOYSA-N 343.412 1.852 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccncc1 81999 RXPPHFKQLWSNOP-UHFFFAOYSA-N 347.396 1.355 0 40 EDAB CN(Cc1ccsc1)C(=O)CNC1=NS(=O)(=O)c2ccccc21 31492463 GMNLOJSRCWYCJN-UHFFFAOYSA-N 349.437 1.445 0 40 EDAB O=S(=O)(NCCc1cnn(-c2ccccc2)c1)N1CCCCC1 40490074 SBWCRDQHFDGTOJ-UHFFFAOYSA-N 334.445 1.735 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(OC[C@@H]2CCCO2)cc1 40467892 QFQLGGRSHMMXHF-ZFWWWQNUSA-N 339.413 1.161 0 40 EDAB Cc1cnn([C@H](C)[C@@H](C)NCC(=O)/N=c2\cc[nH]n2[C@@H](C)C2CC2)c1 100989638 CLWPJUDYZOXLSL-LJQKHBRBSA-N 344.463 1.959 0 40 EDAB CN1N=C(C(=O)NCc2ccc(N3CCCCCC3)nc2)CCC1=O 40541550 PALJECBUSHOOEU-UHFFFAOYSA-N 343.431 1.686 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN1CCC(CC(N)=O)CC1 40540746 KHDAHJVMINUQOB-UHFFFAOYSA-N 345.443 1.562 0 40 EDAB O=C(NCC1(N2CCOCC2)CCCCC1)Nc1nncs1 40525259 RKMQMSGSICYMCX-UHFFFAOYSA-N 325.438 1.695 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)[C@@H](C)n3cccn3)cn2)CC1 40541130 ZUNSQYKQTJZUDD-OAHLLOKOSA-N 342.447 1.297 0 40 EDAB CNc1nc(Oc2ccc(=O)n(C)n2)nc(N2CCCCCC2)n1 20722780 GDDGVODGRFUDPS-UHFFFAOYSA-N 331.380 1.180 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)cnc3ccccc32)C1 20902580 BGZZZKBRDRXRRW-ZDUSSCGKSA-N 343.383 1.198 0 40 EDAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 21192826 HALROSSBKMXSAD-HNNXBMFYSA-N 333.388 1.075 0 40 EDAB NS(=O)(=O)c1ccc(Cn2c(S)nc3ccccc3c2=O)cc1 102325874 NNBQVHAKJDSYGG-UHFFFAOYSA-N 347.421 1.381 0 40 EDAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C(N)=O)C2)c(OC)c1 42042138 SZALKCBUQJSZIH-VXGBXAGGSA-N 335.404 1.672 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)C2)n1 54674093 KPHWNCNORBFWIG-UONOGXRCSA-N 334.420 1.589 0 40 EDAB COC(=O)c1cc(S(N)(=O)=O)c(Br)cc1Cl 77383463 SDZSSNFJJONQMU-UHFFFAOYSA-N 328.571 1.537 0 40 EDAB in-vitro c1cncc(Cc2nnc3n2CCN(c2ncnc4[nH]ccc24)CC3)c1 77436914 IRQRLJGECCDQME-UHFFFAOYSA-N 346.398 1.598 0 40 EDAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NN1CCN(C)CC1 2781138 MQWAYGYWKYFGAH-UHFFFAOYSA-N 339.749 1.142 0 40 EDAB COCCCN(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 106555327 ZMPRALAXNCSHFD-CAOSSQGBSA-N 343.489 1.865 0 40 EDAB CCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCO 6366324 SWJMUCKYHNBOCI-UHFFFAOYSA-N 335.429 1.397 0 40 EDAB Cc1cc(N)nc(SCC(=O)NC[C@@H]2COc3ccccc3O2)n1 7049350 ULFWCQBMQJPLKR-LLVKDONJSA-N 346.412 1.416 0 40 EDAB CCN1C[C@@H](C)[C@@H](NS(=O)(=O)c2c(C)nn(C(C)C)c2C)C1 107058983 XBRYVROLBYSJDY-RISCZKNCSA-N 328.482 1.699 0 40 EDAB CCc1ccc(C(=O)N2CCN(C(=O)CCn3cncn3)CC2)cc1 25469233 DFHQIGHFSDOVGW-UHFFFAOYSA-N 341.415 1.215 0 40 EDAB O=C(CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1)NC1CC1 35269366 CKTPCWSKILHFOW-UHFFFAOYSA-N 341.455 1.141 0 40 EDAB Cc1cc(CN2CCN(c3nnnn3-c3ccccc3)CC2)no1 57286210 GNUHPDLBQQZWIT-UHFFFAOYSA-N 325.376 1.281 0 40 EDAB CCC[C@H]1C[C@](C)(c2csc(NCCNC(N)=S)n2)OC1=O 1757161 VFSUHWRAMFZEER-LKFCYVNXSA-N 342.490 1.967 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CO 108497183 LIQOFSUUPLIONE-IUODEOHRSA-N 343.493 1.937 0 40 EDAB C[S@@](=O)c1ncn(C[C@H](O)COc2cccc(C(F)(F)F)c2)n1 95438965 IIHMLMYXUPKUAP-VCGICTTQSA-N 349.334 1.474 0 40 EDAB C[C@H]1C[C@@H](N(C)CCCOc2cccc(S(C)(=O)=O)c2)C(=O)O1 57909725 NTTTVIWEXQDCMG-SWLSCSKDSA-N 341.429 1.495 0 40 EDAB CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(Cc3cccc(C)n3)CC[C@@H]21 107202979 SSQTUCXVOYKHJV-NEWSRXKRSA-N 330.476 1.763 0 40 EDAB CCn1ccnc(NC[C@@H]2CCCN2c2cc(NC)ncn2)c1=O 95459426 JLKQDLWJZZLQJY-LBPRGKRZSA-N 329.408 1.176 0 40 EDAB CN(C)S(=O)(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 58191848 WHJRGAQOBOAVIY-UHFFFAOYSA-N 325.365 1.909 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCNC2=O)cc1 44893232 MUUXVSKHFDYEOM-UHFFFAOYSA-N 339.351 1.875 0 40 EDAB Cc1cccc(C)c1OCC(=O)Nc1nnc(S(C)(=O)=O)s1 27664700 YCFZVOQDHOCFLM-UHFFFAOYSA-N 341.414 1.576 0 40 EDAB Cn1nccc1C1CCN(Cc2nnnn2Cc2ccccc2)CC1 58296453 ILGKXEXATBKCPG-UHFFFAOYSA-N 337.431 1.835 0 40 EDAB OCCn1nccc1C1CCN(Cc2nnsc2Cl)CC1 58298963 BMIQFGVDZFAMNG-UHFFFAOYSA-N 327.841 1.760 0 40 EDAB CC[C@@H](CNC(=O)N1CCN(c2cnccn2)CC1)N1CCCC1 44969232 FLBNXQGSRMRWIQ-HNNXBMFYSA-N 332.452 1.183 0 40 EDAB O=C(C[C@@H]1CCCO1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 58357331 ORYSPPXIJMZKLA-ZDUSSCGKSA-N 338.354 1.818 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N(C)C[C@@H]2COc3ccccc3O2)C1 27975520 OKQQLGFTIOBGDV-UONOGXRCSA-N 340.445 1.735 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)[C@@H](C)CO1 28058257 VKOOOMNQAZRZPX-STQMWFEESA-N 338.429 1.611 0 40 EDAB COC(=O)CN(C)C(=O)CNC(=O)Cc1cccc2ccccc12 95402536 UUDYAJNKGHFKCH-UHFFFAOYSA-N 328.368 1.130 0 40 EDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCCC[C@@H]3C)cnc21 29606804 RBLAPPGRYMEMJU-GWCFXTLKSA-N 330.388 1.413 0 40 EDAB Cc1cn2nc(NC[C@]3(N4CCOCC4)CCSC3)sc2n1 29626113 RFSJZUIOCOCMCZ-CQSZACIVSA-N 339.490 1.719 0 40 EDAB CC(C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nn1)N1CCOCC1 37176226 NVSHOIUVLZMARA-QGZVFWFLSA-N 343.431 1.354 0 40 EDAB C[C@@H](NC(=O)N(C)C[C@@H]1COc2ccccc2O1)c1nncn1C 46962222 UKPVVHJJAMCSIV-VXGBXAGGSA-N 331.376 1.358 0 40 EDAB C[C@@H](NC(=O)N[C@H](C)c1nncn1C)c1ccc2c(c1)CC(=O)N2 46961944 NSAFOLZYASCHOW-NXEZZACHSA-N 328.376 1.431 0 40 EDAB Cc1ccccc1[C@H]1NC(=O)NC2=C1C(=O)N(C[C@@H]1CCCO1)C2 12346048 PTTLCJKYGQMLBE-BLLLJJGKSA-N 327.384 1.624 0 40 EDAB C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Cn1ccc(=O)n(C)c1=O 48154946 JQTKOJFUYJXLII-NSHDSACASA-N 335.791 1.420 0 40 EDAB COCCn1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)ccc1=O 48275439 WWJPGAVLPAKTAC-QGZVFWFLSA-N 342.395 1.708 0 40 EDAB CN(C)c1ncncc1NS(=O)(=O)c1ccc2c(c1)N(C)CCC2 95457207 HIGFDVXKDRODCV-UHFFFAOYSA-N 347.444 1.726 0 40 EDAB O=C(NCc1ccco1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95476630 JIOCWZRIMMUUSC-JTQLQIEISA-N 342.330 1.964 0 40 EDAB COc1cccc(CNC(=O)CNC(=O)NCc2ccccc2)c1 12979864 MRSKQUBNSOTHEN-UHFFFAOYSA-N 327.384 1.811 0 40 EDAB C[C@@H](c1ccc(F)cc1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 12992625 HXOITYCSTIDJJO-SMDDNHRTSA-N 328.409 1.122 0 40 EDAB C[C@@H]1CCCN(C(=O)CN[C@H](CO)c2cc(F)c(F)c(F)c2)C1 96006500 MOQLHKMCZAGJOO-QMTHXVAHSA-N 330.350 1.985 0 40 EDAB COCCCNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 113941192 UDBUACCXKABOCD-NSHDSACASA-N 332.397 1.133 0 40 EDAB CCOC(=O)c1ccc(N2CCCN(C(=O)NC3CC3)CC2)nc1 63813788 NCZOPZXZWAUCMY-UHFFFAOYSA-N 332.404 1.642 0 40 EDAB COC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1 13777572 VTPONXILNBKQOR-RRFJBIMHSA-N 345.399 1.893 0 40 EDAB Cc1ccccc1-n1nc(C(=O)NC(C)(C)C(N)=O)c2c1CCC2 65404236 FJMQTMXEMPESJG-UHFFFAOYSA-N 326.400 1.663 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1cc[nH]n1 65548530 CZPQUOUXWCDXPS-UHFFFAOYSA-N 348.306 1.503 0 40 EDAB O=C(NCc1cn2c(n1)CCCC2)C(=O)Nc1cc(F)cc(F)c1 65620584 YMYANXJDZRFGSY-UHFFFAOYSA-N 334.326 1.753 0 40 EDAB CCCCCN1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1 95999657 DFGFGZXDJCYATA-GOSISDBHSA-N 337.508 1.964 0 40 EDAB CN1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1 5439030 KZQOZGOBVOEADY-UHFFFAOYSA-N 337.445 1.004 0 40 EDAB CCCNC(=O)NC(=O)COC(=O)CCc1c[nH]c2ccccc12 6593269 GCZVBIXBVAGOIM-UHFFFAOYSA-N 331.372 1.880 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 9453126 KEHPSJGKXQUYHB-KRWDZBQOSA-N 345.355 1.132 0 40 EDAB COC(=O)CN(Cc1ccccc1)S(=O)(=O)N(C)[C@@H](C)C1CC1 66912070 ZRALWHFILZNDAQ-ZDUSSCGKSA-N 340.445 1.637 0 40 EDAB COc1ccccc1[C@H]1C[C@H]1C(=O)NCCc1n[nH]c(=S)n1C 67051840 WVXXVPIVILHWSK-VXGBXAGGSA-N 332.429 1.949 0 40 EDAB C[C@@H]1CCCN(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)C1 15373921 JEABLJMLZAIEFT-GFCCVEGCSA-N 335.429 1.698 0 40 EDAB CCNC(=O)N1CC[C@@H](NC(=O)NCc2cc(F)ccc2F)C1 96473685 WGFXDXJQGZYJOS-GFCCVEGCSA-N 326.347 1.568 0 40 EDAB C[C@@H](Cn1cccn1)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 71863688 BHJFTMWRSYQVQE-WMZOPIPTSA-N 342.443 1.397 0 40 EDAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC(CC(N)=O)CC1 71839332 FWEUUQRNIILXTR-JTQLQIEISA-N 326.343 1.846 0 40 EDAB CC(C)Oc1ccc(CCC(=O)N2CCN(C[C@H](C)O)CC2)cc1 71871345 FBOTWCNEQBOFIF-INIZCTEOSA-N 334.460 1.931 0 40 EDAB COC(=O)c1ccc(C(=O)NCCc2n[nH]c(-c3ccco3)n2)nc1 71896244 MFSJTVQAPNESMQ-UHFFFAOYSA-N 341.327 1.219 0 40 EDAB Cc1nc(-c2ccco2)ccc1C(=O)NC1CCN(CC(N)=O)CC1 71854247 RHADMBXICBQVML-UHFFFAOYSA-N 342.399 1.330 0 40 EDAB CN1CCO[C@@H](C(=O)NCCc2ccc(OC3CCCC3)cc2)C1 81314449 YCODHHTVCMMRBQ-GOSISDBHSA-N 332.444 1.997 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@H](OC)c3ccccc3)CCO2)n1 83829745 QYCOLENYVRVOSO-UKRRQHHQSA-N 330.388 1.655 0 40 EDAB CNC(=O)Nc1cccc(NC(=O)CNC(=O)OCC(F)(F)F)c1 95394843 CSZLKIBBVGERDJ-UHFFFAOYSA-N 348.281 1.665 0 40 EDAB COC[C@@H](NS(=O)(=O)N(C)C)c1cccc(C(F)(F)F)c1 71911233 RRCMOZMQFCCJFB-LLVKDONJSA-N 326.340 1.789 0 40 EDAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCC[C@H](n2cccn2)C1 69328459 WJYIIHAKVOKNEX-HOTGVXAUSA-N 340.431 1.753 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)Cc3cccs3)CC2)n1 69599079 GSSBOGJQMKNWLJ-UHFFFAOYSA-N 332.429 1.828 0 40 EDAB COc1ccc(COC[C@H](O)CN2CCc3c(ncn3C)C2)cc1 69597977 FSYRIRAUPCOQGJ-OAHLLOKOSA-N 331.416 1.365 0 40 EDAB Cc1cnn(C[C@@H](C)NCC(=O)N2CC(=O)Nc3ccccc32)c1 69659283 PERFCKLPIWTVAO-CYBMUJFWSA-N 327.388 1.155 0 40 EDAB Cc1nc(CN2CCC[C@H](N[C@H](C(N)=O)c3ccc(F)cc3)C2)no1 69632872 HVOHVULCOASMKL-HOCLYGCPSA-N 347.394 1.298 0 40 EDAB C[C@H](O)c1cn(CC(=O)N2CCC(COc3ccccc3)CC2)nn1 84667440 RRNYVMSICHTYPG-AWEZNQCLSA-N 344.415 1.649 0 40 EDAB CCC(CC)NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 69737419 NAAHVKKDLUNYRY-UHFFFAOYSA-N 335.389 1.300 0 40 EDAB CCc1ccc(-c2noc(Cn3nc(C(N)=O)ccc3=O)n2)cc1 69977140 GGNICHOZIUQRQF-UHFFFAOYSA-N 325.328 1.003 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)NCC1(c3ccccc3)CC1)CC2 69951265 NKOTVUVCQCYULI-MRXNPFEDSA-N 339.443 1.339 0 40 EDAB COc1cn(CC(=O)Nc2ccc3[nH]ccc3c2)c(CO)cc1=O 70666563 FNLDJDZOFKJOFB-UHFFFAOYSA-N 327.340 1.469 0 40 EDAB biogenic CC(C)CN1Cc2cccc(NC(=O)c3nc(O)[nH]c(=O)c3N)c2C1 92408346 VXRZKMGKFBPZKD-UHFFFAOYSA-N 343.387 1.282 0 40 EDAB C[C@@H](O)CN(C)S(=O)(=O)c1cc(F)c(Br)cc1F 97084089 QRBPKUPAYVJQFC-ZCFIWIBFSA-N 344.177 1.729 0 40 EDAB CCC[C@H]1C[C@H]1NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 97049771 VOXCDKDWJRFFPF-DZGCQCFKSA-N 340.493 1.958 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccnc(N3CCCC3)n1)C2 72292197 UHZIIQXRTYVMBF-ZDUSSCGKSA-N 326.404 1.327 0 40 EDAB COc1cccc(COCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 72269244 WHPDZANTDNTNNB-QZTJIDSGSA-N 348.443 1.269 0 40 EDAB CN(CC(=O)N1CCCC1)C[C@H](c1cccs1)N1CCOCC1 72267473 OBSOKZGPPYJHBN-OAHLLOKOSA-N 337.489 1.676 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(C[C@H](O)COc3ccccc3)CCO2)n1 72253478 GROJMNXJFOSZCW-FUHWJXTLSA-N 346.431 1.036 0 40 EDAB O=C(c1cncn1-c1ccccc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269122 DFFHYRPHWQKUOQ-SJLPKXTDSA-N 340.427 1.544 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)Nc1ccn(C)n1 75146059 WBKIDJHQTQJQSA-OAHLLOKOSA-N 342.447 1.752 0 40 EDAB CC(C)[C@@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 75116554 NFMMDTBYYXORDC-APWZRJJASA-N 332.444 1.743 0 40 EDAB CC(=O)N1CCCN(C(=O)NCCOc2ccc(F)c(F)c2)CC1 75134131 ZMOIZFOKECXKIP-UHFFFAOYSA-N 341.358 1.607 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)N1CCNC(=O)CC1)c1cccc(F)c1 75128112 LKAHHMUSUDWLJP-HNNXBMFYSA-N 345.378 1.180 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 89878652 NCNBXLNFDTUODW-CYBMUJFWSA-N 337.383 1.526 0 40 EDAB O=C(NCc1nnc2ccccn12)N1CCN(c2cccs2)CC1 89878867 JZRFMQLZKJTFRY-UHFFFAOYSA-N 342.428 1.823 0 40 EDAB CN1C(=O)N[C@@](C)([C@H]2CCCN(CCOc3ccccc3)C2)C1=O 89914256 BQHHSAJKVJKIGW-KSSFIOAISA-N 331.416 1.718 0 40 EDAB C[C@H]1CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C[C@H]1N(C)C 76050468 XHQVXYCJSUAABR-CMPLNLGQSA-N 331.338 1.276 0 40 EDAB CCCn1nc2c(cc1=O)CN(Cc1nnc(-c3ccco3)o1)CC2 76064638 AJMRAQYLOCDHEJ-UHFFFAOYSA-N 341.371 1.855 0 40 EDAB Cc1csc([C@H]2CN(CCN3C(=O)NC(C)(C)C3=O)CCO2)n1 65463432 PCHAILXOMZUUCG-LLVKDONJSA-N 338.433 1.155 0 40 EDAB CCn1cc(CN2CCn3cc(CC(=O)NC(C)C)nc3[C@@H]2C)cn1 306140189 UMMHYEIDIHZJIO-AWEZNQCLSA-N 344.463 1.743 0 40 EDAB COc1ccc(Br)c(C(=O)NCC2OCCCO2)c1 521394032 WNMJVSZPWROVFR-UHFFFAOYSA-N 330.178 1.951 0 40 EDAB Cc1ccc(CNC(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)nc1 517930504 VRJSGVXEWCKFFY-HOCLYGCPSA-N 329.404 1.041 0 40 EDAB Cc1nnnn1-c1ccc(F)c(NC(=O)[C@@H](C)OC[C@H]2CCCO2)c1 78666548 LLPNZLSQFNJACH-ZWNOBZJWSA-N 349.366 1.632 0 40 EDAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O 218493370 IFRYPRVOFPOTPI-YCPHGPKFSA-N 325.430 1.268 0 40 EDAB Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(=O)n(C)n3)C2)n1 75166422 MGKBEVBPODMVJN-ZDUSSCGKSA-N 327.388 1.339 0 40 EDAB O=C(CN1CCc2ccccc2C1)N1CCN(c2ccccn2)CC1 38415219 OLTYNLHAGLSESQ-UHFFFAOYSA-N 336.439 1.789 0 40 EDAB Cc1ccc(NC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)c(F)c1 78556416 WMZOBEKBUNSIFK-UHFFFAOYSA-N 347.390 1.686 0 40 EDAB CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 72366089 XQQFEUGCKVHVTO-CQSZACIVSA-N 340.445 1.972 0 40 EDAB Cc1cnn(CCC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)c1 78930694 CXPFTOJBFFIAFB-AWEZNQCLSA-N 336.461 1.148 0 40 EDAB CC(C)CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCO 217463437 SCGOVICMBVEAHK-UHFFFAOYSA-N 344.433 1.504 0 40 EDAB COC(=O)CCN1CCN(C(=O)c2ccc(F)c(F)c2F)[C@H](C)C1 180380192 DTJBAGBYLSGZRE-SNVBAGLBSA-N 344.333 1.813 0 40 EDAB O=C(O)C[C@@H]1CCCN(C(=O)NCCc2cn3ccccc3n2)C1 562741646 JGANCBBJVZOCDY-ZDUSSCGKSA-N 330.388 1.773 0 40 EDAB O=C(NC1CC1)[C@]1(Cc2cccc(-c3ccncc3)c2)CNCCO1 72389352 VYNGVHTYGYYSFS-FQEVSTJZSA-N 337.423 1.928 0 40 EDAB CCOC[C@H]1CCCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C1 70926495 IDVADRIJIACUJH-XEZPLFJOSA-N 326.462 1.716 0 40 EDAB O=C(NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O)Nc1ccccc1 77265189 YCKIIRYDZWCNHJ-OAGGEKHMSA-N 347.440 1.788 0 40 EDAB biogenic,in-vitro C[C@@H](C(=O)NCCn1ccnc1)N1CCN(c2ccc(F)cc2)CC1 78926845 QRTWQEYHCSKWBP-HNNXBMFYSA-N 345.422 1.349 0 40 EDAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C)c1 223288650 LATCFVIRTYSLTD-HOTGVXAUSA-N 329.473 1.954 0 40 EDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccc(C)cc2C)c1=O 222659944 OQKKGYHPAHJZJF-UHFFFAOYSA-N 345.399 1.683 0 40 EDAB Cc1cc(C)n(CCNC(=O)[C@]2(C)Oc3ccccc3NC2=O)n1 40776584 LGZGOIQITQGZGD-KRWDZBQOSA-N 328.372 1.406 0 40 EDAB C[C@@H]1CN([C@H](CNc2nc(C(=O)O)co2)c2cccs2)CCO1 577637667 ABTQNRFLURVWNL-ZYHUDNBSSA-N 337.401 2.308 0 40 EDAB O=c1cc(Cn2nc3c(Cl)cccn3c2=O)nc2sccn12 96472107 LLIZIMVPWZTDFD-UHFFFAOYSA-N 333.760 1.267 0 40 EDAB CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cccnc3)C2)O1 96207652 DMLCOHBXYHMFCH-SJLPKXTDSA-N 332.448 1.866 0 40 EDAB O=C(c1ccc[nH]1)N1CCC[C@@]2(C[C@H](Oc3ncccn3)CO2)C1 96073681 LBUFQLAQLSOVKP-SUMWQHHRSA-N 328.372 1.647 0 40 EDAB Cc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)c1 96410798 OOBGHCKPQRLJON-CQSZACIVSA-N 341.415 1.371 0 40 EDAB COc1cc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cccnc2)ncn1 96184786 RUBZQJMSMBVRLL-UONOGXRCSA-N 325.372 1.374 0 40 EDAB COc1ccc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)cc1 96056252 VSSITUUNQVQLAC-YSIASYRMSA-N 346.471 1.864 0 40 EDAB Cn1cc(CN2C[C@@H]3C[C@@H](CC(=O)NCc4ccco4)O[C@@H]3C2)cn1 96207764 GIBPJAUCKYWEOA-BHYGNILZSA-N 344.415 1.309 0 40 EDAB O=C1N(c2cncnc2)CC[C@@]12CCCN(c1ncc(F)cn1)C2 96074049 BADLYMKJHIYAMA-MRXNPFEDSA-N 328.351 1.429 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2ccccn2)Cc2ncn(C)c21 96044872 QRTXJFYMILUCLG-AWEZNQCLSA-N 343.431 1.019 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)N2CCn3ccnc3C2)[C@H]1n1cccn1 579923918 MNKGUEMOKVUWPD-GZBFAFLISA-N 330.392 1.024 0 40 EDAB O=C(NC1CC1)[C@H]1C[C@]12CCN(S(=O)(=O)c1cccs1)C2 96227610 LGFWEPJHIYYIJR-RISCZKNCSA-N 326.443 1.427 0 40 EDAB COc1ccc(N2C[C@@]3(CCN(C(=O)NC4CC4)C3)CC2=O)cc1 96077500 YBPPTBHMTDTOHK-SFHVURJKSA-N 329.400 1.996 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)CN(C)C(C)=O)cc1 583616035 DTMHADOYNPHDBB-FUHWJXTLSA-N 334.416 1.372 0 40 EDAB Cc1occc1C(=O)NC[C@@H]1Cn2nnc(-c3cccnc3)c2CO1 96199235 MGRXTIUMGHFTBE-CYBMUJFWSA-N 339.355 1.570 0 40 EDAB CN(C)C(=O)CO[C@H]1COC2(CCN(Cc3cccs3)CC2)C1 96047814 DEGGHWNGNZRESE-CQSZACIVSA-N 338.473 1.976 0 40 EDAB CC(C)n1cc(S(=O)(=O)NC[C@@H](C(=O)O)c2ccccc2)cn1 583730473 RMGJIEVXOUVQMK-CQSZACIVSA-N 337.401 1.611 0 40 EDAB C[C@H](CC(=O)O)NC(=O)CNC(=O)Cc1cccc2ccccc12 95970367 IKVDEFZGEPTSQJ-GFCCVEGCSA-N 328.368 1.478 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccncc2)o1 96404815 DWAWNWWBSKQLIS-LBPRGKRZSA-N 336.369 1.987 0 40 EDAB CN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(Cc1cccnc1)CC2 96061529 YYVWMVDSAWHHAQ-QGZVFWFLSA-N 339.443 1.796 0 40 EDAB O=C(NC1CCN(c2cccc(F)c2)CC1)[C@H]1CCS(=O)(=O)C1 96413878 HXPLHHVQLUOVFF-LBPRGKRZSA-N 340.420 1.345 0 40 EDAB CCOc1cc(C)nc(N2CCN(C[C@@H](O)C(F)(F)F)CC2)n1 97378037 SRTNISDTGMNITH-LLVKDONJSA-N 334.342 1.229 0 40 EDAB O=C(C[C@@]1(O)CCCN(Cc2ccccc2)C1)NO[C@H]1CCCCO1 585088646 SZXTWYATCFJVLL-OALUTQOASA-N 348.443 1.978 0 40 EDAB COC[C@@H]1CN(C(C)=O)CC12CCN(c1cc(OC)ncn1)CC2 247908860 DAHRJUNRHKOTGQ-AWEZNQCLSA-N 334.420 1.197 0 40 EDAB Cn1ccc(C(=O)N2NC(=O)C[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1 585126988 MUIVQCOSZWVEPT-QGZVFWFLSA-N 348.403 1.282 0 40 EDAB CN1CC(=O)N(CCSc2nnc3sc4ccccc4n23)C1=O 585119047 NVOKCOCDLLSZPI-UHFFFAOYSA-N 347.425 1.930 0 40 EDAB CO[C@H](CS(=O)(=O)N=c1cc[nH]c2cccnc12)C1CCCC1 585129104 YBJYBELSDSKJOU-OAHLLOKOSA-N 335.429 1.999 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CC([C@@H](C)O)C3)C2)c1 585131139 MUWMHJAMZURQEI-CVEARBPZSA-N 344.455 1.995 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[C@@H](Oc2cccnn2)C1 244933255 CJJYMCAXIGVPQP-AHIWAGSCSA-N 341.367 1.685 0 40 EDAB CN(C)c1cc(C[C@H]2COCCN(C(=O)c3ccncc3)C2)ncn1 257206563 BEAAGIMEMQTBEK-CQSZACIVSA-N 341.415 1.269 0 40 EDAB CN(C)Cc1ccnc([C@H]2CN(C(=O)c3ccccn3)CCO2)n1 257335079 YIPLYHOMJRBZEI-OAHLLOKOSA-N 327.388 1.147 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccn3C)C2)ncn1 257339171 ZAMCGFGAAUHMCZ-GOSISDBHSA-N 343.431 1.227 0 40 EDAB Cc1cc(C)nc([C@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)n1 257205663 BABHQRAHPDFEDW-OAHLLOKOSA-N 342.399 1.314 0 40 EDAB C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C3CCC3)CCN21 253398836 HQCNIXNEDMGYJB-UXHICEINSA-N 329.488 1.792 0 40 EDAB biogenic,in-vitro O=C(O)COc1ccc(CN2CCO[C@@H](c3cnccn3)C2)cc1 257210161 BTLZMVINVQYMHV-MRXNPFEDSA-N 329.356 1.514 0 40 EDAB CCc1nccn1CC(=O)N1CCN(C)[C@H](c2ccc(OC)cc2)C1 257211320 BYLMYPNUSYBOJM-KRWDZBQOSA-N 342.443 1.969 0 40 EDAB O=S(=O)(CCOc1ccccc1)NCCn1ccnc1C1CC1 253397861 GDQMRYXLFIXWCX-UHFFFAOYSA-N 335.429 1.759 0 40 EDAB CNc1nccnc1[C@@H]1CN(S(=O)(=O)C2CCCC2)CCO1 257209409 BQGIGPRBTNBEHN-LBPRGKRZSA-N 326.422 1.164 0 40 EDAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)c2cnn(C)c2)n1 257331837 XUMAOVDOKYEMNF-HNNXBMFYSA-N 328.420 1.557 0 40 EDAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)n1 257290630 QDRHUTRMSVFNDB-LBPRGKRZSA-N 337.383 1.974 0 40 EDAB Cc1cc2nc(C3CCN(C(=O)c4ccnn4C)CC3)cc(O)n2n1 257202009 AKCHEQNBOIGFAC-UHFFFAOYSA-N 340.387 1.497 0 40 EDAB CC(=O)N[C@@H]1CCOC2(CCN(c3nccn4cccc34)CC2)C1 257279204 OFNHLZGMNAXTRL-OAHLLOKOSA-N 328.416 1.988 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(C)[C@H](c2ccccc2OC)C1 257212556 CDYDGFFCVNEGAB-HNNXBMFYSA-N 341.477 1.570 0 40 EDAB Nc1cccc([C@@H]2CN(C(=O)CCCc3ccncc3)CCO2)n1 257321737 WDAHWRWFCMJOKP-INIZCTEOSA-N 326.400 1.982 0 40 EDAB COc1ccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1 1615614148 DOEWDEAFKIZUDO-UHFFFAOYSA-N 339.413 1.115 0 40 EDAB Cc1c(NCC(C)(C)C)cccc1C(=O)N1CC(=O)NCC12COC2 1616039409 VRSBDLBFZORMEI-UHFFFAOYSA-N 345.443 1.794 0 40 EDAB O[C@]1(COc2cccc(F)c2)COCCN(Cc2cnccn2)C1 585268832 APPBXKWDDUGAGG-KRWDZBQOSA-N 333.363 1.258 0 40 EDAB COC[C@H](C)NC(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 66982422 WWWYGZLTSUIDAY-XJKSGUPXSA-N 339.411 1.533 0 40 EDAB CN([C@@H]1CCNC1)S(=O)(=O)c1ccc(F)cc1Br 71310287 ZKYYJJAKVOBVBK-SECBINFHSA-N 337.214 1.571 0 40 EDAB Cn1nc2c(cc1=O)CN(CCC(=O)N1CCc3ccccc31)CC2 72302444 QAIXJPSOXSHFHZ-UHFFFAOYSA-N 338.411 1.118 0 40 EDAB C[C@@H](CNC(=O)c1ccc(Br)s1)N1CCOCC1 46269559 MKUCADNOIZFKLR-VIFPVBQESA-N 333.251 1.961 0 40 EDAB NC(=O)[C@@H]1CN(c2ncnc3scc(-c4ccccc4)c23)CCN1 57420781 LXKQORYRGBZEKH-ZDUSSCGKSA-N 339.424 1.622 0 40 EDAB O=C(NCCOc1ccccc1)N1CCCN([C@H]2CCOC2)CC1 1565522251 FDLXUYUAUYZODA-INIZCTEOSA-N 333.432 1.572 0 40 EDAB CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1ccc(C(N)=O)cc1 58393877 VYSWGJLEPQTLKL-UHFFFAOYSA-N 335.404 1.705 0 40 EDAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)C(C)C)CC1)CC(=O)N2C 1772596092 BONTUCZECRSWQQ-UHFFFAOYSA-N 340.449 1.087 0 40 EDAB Cc1cc2c(s1)c1cnn(CC(=O)NCC3CC3)c(=O)c1n2C 12113546 IBTWJNLABRVDCJ-UHFFFAOYSA-N 330.413 1.784 0 40 EDAB COCCNC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O 8105278 JWTABOQIVNBPPE-YFHOEESVSA-N 326.399 1.547 0 40 EDAB O=C(NCCc1ccc(F)cc1)c1cc(F)ccc1-n1cnnn1 12409906 NHBSNTXPSNUGTJ-UHFFFAOYSA-N 329.310 1.913 0 40 EDAB CCNC(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)NCc1ccccc1 12530141 RWKMINIRHAZENB-HNNXBMFYSA-N 327.388 1.182 0 40 EDAB biogenic,in-vitro CC(C)(C)C(=O)CN1C(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccccc21 12897014 WOIOFUUDTUJDGP-FZMZJTMJSA-N 330.384 1.224 0 40 EDAB biogenic O=C(C[C@H](NCCCn1ccnc1)C(=O)O)Nc1cccc(O)c1 16768148 BLXNZWMFTLUWGY-AWEZNQCLSA-N 332.360 1.050 0 40 EDAB Cc1c(C(=O)N2CCC[C@@H]2c2ccncc2)nnn1C1CCNCC1 154616978 IZFFYACGHBZQJX-MRXNPFEDSA-N 340.431 1.883 0 40 EDAB O=c1oc2cccnc2n1CCn1ccnc1[C@@H](O)c1ccccc1 154758233 GLIPMYGPXLWOJV-HNNXBMFYSA-N 336.351 1.968 0 40 EDAB CC(C)[C@@H](Cn1nccn1)NS(=O)(=O)c1ccc(Cl)s1 238875285 NWSTYRZYKWGQMP-SECBINFHSA-N 334.854 1.996 0 40 EDAB Cc1ccnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)n1 1888897180 DTAXROHCRCDWCF-UHFFFAOYSA-N 336.403 1.586 0 40 EDAB Br[C@]12[C@H]3[C@@H]4[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@]1(Br)C41OCCO1 239562993 PHSSQOWAVHELST-VJVZXHFHSA-N 334.007 1.762 0 40 EDAB COc1ccc(CN2CC[C@H]3COCC(=O)N(C)[C@H]3C2)c(OC)c1 2037983769 FGXPYFNPYPQGHR-HOCLYGCPSA-N 334.416 1.383 0 40 EDAB COCCN1CCC2(C1)CN(C(=O)Cc1noc3ccccc13)C2 1072902990 KKLWFXPCDGCEHA-UHFFFAOYSA-N 329.400 1.551 0 40 EDAB Cn1nc(N2CCN(c3ncnc4cc(F)ccc34)CC2)ccc1=O 2086988580 QRTDLAHXMKOKTB-UHFFFAOYSA-N 340.362 1.189 0 40 EDAB Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1 5242143 YPGIDVUDVITZAL-UHFFFAOYSA-N 326.385 1.785 0 40 EDAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(F)c2)n1 7418867 UBIZGNFCTLTTAD-UHFFFAOYSA-N 327.319 1.964 0 40 EDAB Cn1cnc2c(N3CC[C@@](F)(C(=O)Nc4cccnc4)C3)ncnc21 2086866062 NLKOGQLXXIGYFX-INIZCTEOSA-N 341.350 1.315 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)COC[C@H]2C[C@H]3CC[C@H]2C3)CC1 106219858 ACRQKMKKIIBDSE-MWDXBVQZSA-N 340.464 1.574 0 40 EDAB Cn1cc(-c2nccnc2CNC(=O)NCCc2ccccc2)cn1 575618552 BZTAUEZBIGNZDB-UHFFFAOYSA-N 336.399 1.919 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)COc2ccc(F)cc2F)c2ccccc2O1 29424528 RVSBFPUAMJUKBC-HNNXBMFYSA-N 348.305 1.623 0 40 EDAB CSc1ccc(N2C[C@@H](C(=O)NC3=NCCS3)CC2=O)cc1 40493279 AYDUPDUQXFRFCO-JTQLQIEISA-N 335.454 1.980 0 40 EDAB O=C(NCCCN1CCCCCC1=O)c1cnn(-c2ccccc2)n1 40460918 QLKQTEKFLBKBQA-UHFFFAOYSA-N 341.415 1.790 0 40 EDAB COc1cccc([C@@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)c1O 31809853 HWXKSQKPEWDVAY-SNVBAGLBSA-N 341.327 1.046 0 40 EDAB O=C(CCN1CCSC1=O)NCc1ccc(Cn2cncn2)cc1 32868974 QOILEVJHKJWOIJ-UHFFFAOYSA-N 345.428 1.502 0 40 EDAB NC(=O)C1(CNC(=O)c2cc(-c3ccccc3F)on2)CCOCC1 52744630 CEOCFQXNRKXQMX-UHFFFAOYSA-N 347.346 1.493 0 40 EDAB COc1ncccc1C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 33120387 IIYCCIOFBLNYKV-SNVBAGLBSA-N 327.340 1.912 0 40 EDAB Cc1ccc2c(c1)[C@]1(N[C@H](C)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 33543072 MYNLKDKCNCJUIJ-CCLISEBTSA-N 341.411 1.534 0 40 EDAB C[C@H](OC(=O)C1CCC1)C(=O)N1CCN(c2ccccc2O)CC1 42125045 XLYRZVPSSZXGBM-ZDUSSCGKSA-N 332.400 1.773 0 40 EDAB COc1cc(/C=C/C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cc(OC)c1 104111056 LFFTZCKCIDSTIB-VFQAQYNWSA-N 344.367 1.123 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)N[C@H](C)Cn3ccnc3)CC2=O)c(F)c1 42532812 YNHSHQATODABJV-ZIAGYGMSSA-N 344.390 1.888 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)no1 23675363 JXDZFNZISHWPNA-UHFFFAOYSA-N 329.356 1.670 0 40 EDAB O=C(O)C1CCN(C(=O)CCCn2c(=O)oc3ccccc32)CC1 84600148 ALWKQAICAMSQMJ-UHFFFAOYSA-N 332.356 1.698 0 40 EDAB COc1ccc(OC)c2c1CN(c1cc(Cl)nc(N)n1)C[C@@H]2O 24056679 HLLVWRXLBPTPFZ-VIFPVBQESA-N 336.779 1.783 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc2c(c1)OCCO2 24233802 JUDDLAWURQRSCY-UHFFFAOYSA-N 327.296 1.848 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)OCCc2ccccc2F)CC1 78797251 CIZAPTZKJVFPMX-UHFFFAOYSA-N 343.420 1.973 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)Nc2cccc3cccnc23)cn1 78869938 VXJXNOMEKDLBOO-KRWDZBQOSA-N 325.372 1.998 0 40 EDAB CCc1nn(C)c2[nH]nc(NC(=O)c3cnn(C)c3-n3cccc3)c12 79015409 HAXJFFGHIJVPSF-UHFFFAOYSA-N 338.375 1.635 0 40 EDAB COc1ccc(OC)c2c1CN(CC(=O)N1CCCC[C@H]1C)C[C@@H]2O 106031304 ICXRGWQGPQVFSG-HIFRSBDPSA-N 348.443 1.954 0 40 EDAB CC(=O)N1CCC(C(=O)NCc2cccc(Cn3ccnc3)c2)CC1 24748409 SQBNRTDKBAFTKE-UHFFFAOYSA-N 340.427 1.806 0 40 EDAB CCc1ccc([C@H](C)NC(=O)[C@H](C)NC[C@H]2CN(C)CCO2)cc1 106844762 JGLHBDOEXPPBKB-MPGHIAIKSA-N 333.476 1.735 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]12 6305677 NYAJYGWWSZCZRN-VMUDFCTBSA-N 331.299 1.202 0 40 EDAB Cc1n[nH]c([C@@H]2CN(CC(=O)N(C)[C@H](C)c3ccccc3)CCO2)n1 107056751 MJSQAKNZPBLQEW-CJNGLKHVSA-N 343.431 1.706 0 40 EDAB O=C1COc2ccc(C(=O)COC(=O)c3ccc(O)cc3O)cc2N1 7813443 MHJVOFXPEHJISF-UHFFFAOYSA-N 343.291 1.468 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)c(C)c1 8379007 KVQORIWDAVLOLB-ZFWWWQNUSA-N 336.457 1.792 0 40 EDAB C[C@H]1CCCN(CCNC(=O)C2CCN(c3ncccn3)CC2)C1 44534156 UPFZXBKSISKPNA-HNNXBMFYSA-N 331.464 1.541 0 40 EDAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC 27386337 ADNAGRMSEHYWBC-UHFFFAOYSA-N 338.404 1.906 0 40 EDAB COCCn1c(N)c(S(=O)(=O)c2ccccc2)cnc1=S 57354869 LODFLYOJZSTTCL-UHFFFAOYSA-N 325.415 1.674 0 40 EDAB CCCn1nnnc1CN1CCC(NC(=O)c2ccc(F)cc2)CC1 27439920 VHLNNYONLDILPO-UHFFFAOYSA-N 346.410 1.617 0 40 EDAB COc1ccc(NC(=O)NC(=O)COC(=O)c2cscn2)cc1 58147205 NUFZDONGABDIFL-UHFFFAOYSA-N 335.341 1.657 0 40 EDAB Cc1cc(CC(=O)N2CCC[C@@H](C(=O)Nc3nccs3)C2)no1 95405510 QFKFPIHVLWZIJK-LLVKDONJSA-N 334.401 1.859 0 40 EDAB Cc1cccn2cc(CN3CCN(CC(=O)NCC(C)C)CC3)nc12 44890635 NGQFWCCGDJWRMV-UHFFFAOYSA-N 343.475 1.533 0 40 EDAB CC(C)N1CC[C@H](CNC(=O)CCc2nc(-c3cccnc3)no2)C1 58283666 SBJLHJFWXKVIPF-CQSZACIVSA-N 343.431 1.911 0 40 EDAB CCOC(=O)c1c(NC(=S)NC(C)=O)sc(C(=O)OC)c1C 9140521 FRCIBCUYWPHOER-UHFFFAOYSA-N 344.414 1.853 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N1CCN(Cc2cccs2)CC1 44969798 ARYYMBUZLPCQFX-AWEZNQCLSA-N 333.461 1.861 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)N[C@@H]1CCN2CCCC[C@H]12 44942085 FBQDPFRKEZJVPT-ZIAGYGMSSA-N 346.456 1.591 0 40 EDAB COc1ccccc1N1C(=O)C[C@@H](N2CCC(C(=O)O)CC2)C1=O 9926542 AQWUIWNACCLDCV-CYBMUJFWSA-N 332.356 1.124 0 40 EDAB Cc1noc(C)c1CNC[C@]1(COc2cccnc2)C[C@H](O)[C@H](O)C1 107283909 ZLSARXCSQJEQIA-BCDXTJNWSA-N 347.415 1.357 0 40 EDAB biogenic,in-vitro CS(=O)(=O)N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 28083221 SOWIBMNYPRXTOV-UHFFFAOYSA-N 348.877 1.536 0 40 EDAB CCCn1cc(NC(=O)c2csc(S(N)(=O)=O)c2)ccc1=O 58407454 CQAABLXEVZHQNZ-UHFFFAOYSA-N 341.414 1.220 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)CCSc2nnnn2C)c1 58412135 PHPBPQSECKNOBG-UHFFFAOYSA-N 348.476 1.460 0 40 EDAB Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(c2nccs2)CC1 58450427 WJJAXNOBBRRWFJ-UHFFFAOYSA-N 345.428 1.905 0 40 EDAB CC[C@H](CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)c1ccccc1 9156112 VBGBNKRQIYDFJG-CYBMUJFWSA-N 329.400 1.614 0 40 EDAB CN(CC1CC1)C(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 58527809 GDAANTKXVXSZFY-GJZGRUSLSA-N 336.432 1.837 0 40 EDAB CN1CCN([C@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)CC1 36360449 MJFKMZUTVGVQKI-INIZCTEOSA-N 331.372 1.099 0 40 EDAB c1cncc(CN2CCOC[C@@]3(CC[C@@H](CN4CCOCC4)O3)C2)c1 107739693 GAJKUAXIRMEVPE-RBUKOAKNSA-N 347.459 1.164 0 40 EDAB C[C@@H](C(=O)NC(=O)NC1CC1)N(C)Cc1ccc2c(c1)OCCO2 11231620 BVDKEXOJXYJHEV-NSHDSACASA-N 333.388 1.266 0 40 EDAB Cc1nc2sc3c(c2c2nc(C(=O)NCCO)nn12)CCCC3 2438124 DPMKMGDUFIXEJO-UHFFFAOYSA-N 331.401 1.248 0 40 EDAB O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccccc1F 45684936 MIYHIHSODYKWRF-MRXNPFEDSA-N 349.406 1.478 0 40 EDAB O=S(=O)(c1cccnc1)N1CCN(CCc2ccccn2)CC1 29818138 KZCPYIHLCNJJCB-UHFFFAOYSA-N 332.429 1.026 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 46487889 DHXZOIVXFJAKGR-JKSUJKDBSA-N 343.431 1.844 0 40 EDAB CC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 2620617 PHKGRXBXJDVTAG-UHFFFAOYSA-N 333.793 1.329 0 40 EDAB Cc1ccn2c(=O)cc(COc3cccc(S(C)(=O)=O)c3)nc2c1 47364626 JQLCMDLWXJWAQW-UHFFFAOYSA-N 344.392 1.985 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)c2ccc(Cl)c(N)c2)C[C@@H](C)O1 12622893 KGBJKYMLCWOPIF-AOOOYVTPSA-N 326.780 1.715 0 40 EDAB NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c3ncccc23)C1 48279774 GNHBSSPFJLPVQD-JTQLQIEISA-N 337.376 1.260 0 40 EDAB CN1CC(=O)N(C[C@H](O)COc2cccc(Br)c2)C1=O 12891055 RXYSVMYMIDYVQN-JTQLQIEISA-N 343.177 1.083 0 40 EDAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccccc1C 10339410 QBSQLDIJHHESLE-LSDHHAIUSA-N 345.399 1.033 0 40 EDAB O=C(NCCNC(=O)c1nc2ccccc2s1)c1cccnc1 22500860 IAHIAXHGNFJLKE-UHFFFAOYSA-N 326.381 1.851 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n[nH]3)CC2)cc1 13366701 XOIVEXPJYPZWMQ-UHFFFAOYSA-N 348.428 1.173 0 40 EDAB O=C(O)CCNC(=O)/C(=C\c1ccncc1)NC(=O)c1ccccc1 4043384 LOWNPPSQZJNUOB-NTCAYCPXSA-N 339.351 1.443 0 40 EDAB CN(Cc1c(F)cccc1Cl)C(=O)CSc1nnnn1C 9255936 JFFTUUXRBWUOOO-UHFFFAOYSA-N 329.788 1.753 0 40 EDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCCN(c2nccs2)CC1 65462266 IVWWIOBHNWGFNH-LBPRGKRZSA-N 334.445 1.193 0 40 EDAB COc1ccc(CCNC(=O)Cn2cnc3ccccc3c2=O)cc1 6375563 KEQYZSLDLREVDY-UHFFFAOYSA-N 337.379 1.764 0 40 EDAB biogenic COCCOCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 65587571 GGZYBRZCLDQZPY-UHFFFAOYSA-N 349.475 1.610 0 40 EDAB CCN(Cn1nc(SC)sc1=S)[C@@H]1CCS(=O)(=O)C1 14161853 FCMSTTOMUMIZNI-MRVPVSSYSA-N 339.533 1.862 0 40 EDAB COC(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)n[nH]2)n1N 9334878 QRRYQQOPJDMYOU-UHFFFAOYSA-N 344.400 1.623 0 40 EDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1c[nH]c3ncccc13)CC2 95400564 QGQVNDZLHHLNPD-HUUCEWRRSA-N 329.400 1.955 0 40 EDAB CCc1nc(C)ncc1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 89280365 KLIQFPILGIKUNP-UHFFFAOYSA-N 340.309 1.614 0 40 EDAB NC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(C2CC2)n1C1CC1 7550868 ARQMTOFYHNXYLU-LBPRGKRZSA-N 349.460 1.449 0 40 EDAB C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)C[C@@H](C)O1 68716862 CXUWGSPDCYUCLV-AXFHLTTASA-N 338.326 1.786 0 40 EDAB Cc1nc(Cl)cc(NC2CCN(CCS(C)(=O)=O)CC2)n1 68766884 HNSJXNVEYCQTRA-UHFFFAOYSA-N 332.857 1.359 0 40 EDAB CCn1ccnc1CN1CCN([C@@H](C)C(=O)NCC(F)(F)F)CC1 69418041 SDMMNWUUMDTLKT-LBPRGKRZSA-N 347.385 1.088 0 40 EDAB Cc1ccc(OC2CCN(C(=O)Cn3cccnc3=O)CC2)cc1C 71821171 QIZMDPLDWGAUQR-UHFFFAOYSA-N 341.411 1.930 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCO[C@H]2CCCC[C@@H]21 71805021 VNKYVIDSFLPBJK-RDJZCZTQSA-N 327.384 1.567 0 40 EDAB C[C@H]1C[C@H](C)CN(CCNC(=O)c2sccc2S(C)(=O)=O)C1 69530299 PFGJHYCCBVTUIQ-RYUDHWBXSA-N 344.502 1.859 0 40 EDAB Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C)CCC(C)C)cn1C 69535388 XHLDHASYSHJHLO-LBPRGKRZSA-N 344.481 1.338 0 40 EDAB CCS(=O)(=O)c1ccccc1N1CCC(NCCC(=O)O)CC1 69599075 QYFFNMJCHFYBOJ-UHFFFAOYSA-N 340.445 1.513 0 40 EDAB CC(C)[C@H](C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)N1CCCCC1 71896325 DVTKGWWBHDMGPA-HUUCEWRRSA-N 345.509 1.024 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C2OCCO2)c1 69633302 JYMJUPXQACCRPF-AWEZNQCLSA-N 339.413 1.458 0 40 EDAB COc1cccc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)c1 19972709 CQFFVQQYBWBQBZ-UHFFFAOYSA-N 345.443 1.321 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N3C[C@@H](C)C[C@@H](C)C3)nc2n1 17720157 IARXOHQCZAYUGX-PHIMTYICSA-N 345.403 1.402 0 40 EDAB NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)c2ccccc21 69705247 GWAGFIIJFHKCCD-NSHDSACASA-N 338.335 1.743 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)CSCC(=O)c1ccccc1 69743550 LUOSRLKJMHTKHI-LBPRGKRZSA-N 343.470 1.494 0 40 EDAB COC[C@H](C)N1CCN(C(=O)c2cc(C)n(-c3ccccc3)n2)CC1 69842388 CZFGHKKVLAGZRO-INIZCTEOSA-N 342.443 1.973 0 40 EDAB CCc1nnc2n1C[C@H](CNCc1cnc(N3CCCC3)nc1)CC2 83834401 QUSMELIMMUGJMG-AWEZNQCLSA-N 341.463 1.583 0 40 EDAB Cc1ccc([C@H](C)NC(=O)CSCC(=O)N2CCOCC2)cc1 72013258 SBUJUGMBUUGKNI-AWEZNQCLSA-N 336.457 1.764 0 40 EDAB NC(=O)c1ccc(N2CCCN(c3nc4ccccc4[nH]3)CC2)nn1 72296205 MISZFCMHEVDQHR-UHFFFAOYSA-N 337.387 1.169 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)c3ccc(N(C)C)nn3)C2)no1 72242402 QWEVLRFFRUNVCF-NSHDSACASA-N 330.392 1.508 0 40 EDAB C[C@@H]1COC[C@@H](C)N1CC(=O)Nc1ccccc1SCC(N)=O 72293995 GRPXGWPGZNZYEN-VXGBXAGGSA-N 337.445 1.312 0 40 EDAB CN1CCO[C@H](CNCc2cccc(C(=O)NCc3ccco3)c2)C1 72267862 FIXDYPUPJZJRNR-GOSISDBHSA-N 343.427 1.630 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)CCCNc2ncccn2)no1 72299249 XVEVJGPIZLZSEQ-LBPRGKRZSA-N 330.392 1.978 0 40 EDAB Fc1ccc(-n2cc(CN3CCC[C@H](N4CCNCC4)C3)cn2)cc1 97162652 YGBDNNJJTIMCSZ-IBGZPJMESA-N 343.450 1.881 0 40 EDAB Cc1cccn2cc(CCNC(=O)N(C)C[C@H](O)C(F)(F)F)nc12 97114673 UEPIPAVWNQGJTQ-LBPRGKRZSA-N 344.337 1.750 0 40 EDAB CCc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cnn1Cc1ccccc1 97295716 RFOJXTGRAYIWTQ-AWEZNQCLSA-N 347.440 1.411 0 40 EDAB Cc1noc(COCC(=O)N2C[C@@H]3CCCN3Cc3ccccc32)n1 89721181 FIZGSCKBAXGZFH-HNNXBMFYSA-N 342.399 1.906 0 40 EDAB O=C1NCCN(C(=O)c2cc3ccccc3c(=O)[nH]2)[C@H]1c1ccccc1 89827814 AGPGSESHQJMUCQ-KRWDZBQOSA-N 347.374 1.841 0 40 EDAB Cc1ccc(NC(=O)NCCNc2ncnc3c2cnn3C)s1 75415001 YQKSGGKSQZFENS-UHFFFAOYSA-N 331.405 1.967 0 40 EDAB CN1N=C(C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)CCC1=O 68142964 QBGULSWIOFYDJE-HNNXBMFYSA-N 343.383 1.329 0 40 EDAB NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccccc1 35289514 GHBPOEKDPQDJAU-UHFFFAOYSA-N 325.397 1.966 0 40 EDAB CCc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)Nc1ccn(C)n1)CCC2 125106811 ALTQOTFKPWEPEU-NSHDSACASA-N 347.444 1.914 0 40 EDAB Cc1cc(CCC(=O)NCc2ccnn2C)nc([C@H]2CCCN2)n1 72366879 GEYZWNPYHFRBDL-OAHLLOKOSA-N 328.420 1.192 0 40 EDAB COCC(=O)N1CCC(c2nccnc2Nc2ccccn2)CC1 72362339 ACYDCZCESUAYIJ-UHFFFAOYSA-N 327.388 1.968 0 40 EDAB C[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1C(=O)c2ccncc2C1=O 36593973 RMOZDNCHXNBMGU-SECBINFHSA-N 335.323 1.003 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 43390165 XJSZPZBDAKECMT-UHFFFAOYSA-N 337.445 1.675 0 40 EDAB Cc1cc2c(nc1C)oc1c(N3CCN(CCO)CC3)ncnc12 71279366 MXTCKZYTDFAJQV-UHFFFAOYSA-N 327.388 1.502 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)N[C@H]1c2ccccc2C[C@H]1O 74534281 FDTGZQOCELOMSM-WBVHZDCISA-N 328.416 1.997 0 40 EDAB COc1cccc([C@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)c1O 31809860 HWXKSQKPEWDVAY-JTQLQIEISA-N 341.327 1.046 0 40 EDAB O=C(CNC(=O)NCc1ccc(Cl)cc1)NCCCn1ccnc1 79351751 MQUVPMITRUPBRT-UHFFFAOYSA-N 349.822 1.542 0 40 EDAB O=C(NCCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc[nH]1 78914879 ATYCDJRMLDHILV-UHFFFAOYSA-N 340.427 1.874 0 40 EDAB CO[C@H]1CCC[C@@H](C(=O)N2[C@H]3CC[C@@H]2Cc2c(nc(C)[nH]c2=O)C3)C1 72373134 IYUNEDYNIVDOGX-KBXIAJHMSA-N 345.443 1.742 0 40 EDAB CC(=O)Nc1ccc(OCc2cc(=O)n3nc(C)sc3n2)cc1 41076604 GMDDWEXAPNQHEI-UHFFFAOYSA-N 330.369 1.997 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)NCc2cccs2)C1 225389478 WGEXGJOPZXKUFC-LLVKDONJSA-N 334.401 1.910 0 40 EDAB O=C(Cn1cnc(-c2cccs2)cc1=O)NCc1ccccn1 49028240 SWECPSSDZYNAQG-UHFFFAOYSA-N 326.381 1.683 0 40 EDAB COc1cc(C(=O)NCc2ccnc(N(C)C)n2)cc(OC)c1OC 224235370 MRAWLKHHHCWZPN-UHFFFAOYSA-N 346.387 1.498 0 40 EDAB Cc1cc(CNS(=O)(=O)c2ccccc2)nc(N2CCOCC2)n1 224230478 PWVSWLGCNAJVMD-UHFFFAOYSA-N 348.428 1.100 0 40 EDAB CC(C)c1cc(CNC(=O)c2cc(N3CCOCC3)ccn2)on1 130935486 HBABRIGBAWEKMT-UHFFFAOYSA-N 330.388 1.960 0 40 EDAB COc1ccc2c(c1)C=C(C(=O)NCc1nnc3ccccn13)CO2 87003299 LIONXEMPKZAITQ-UHFFFAOYSA-N 336.351 1.830 0 40 EDAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1 223747132 CGTQKNQQCCMPSZ-UHFFFAOYSA-N 343.401 1.708 0 40 EDAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CC(=O)N(C2CCOCC2)C1 85472742 ZEOKBIZTBWRIBG-NSHDSACASA-N 349.456 1.988 0 40 EDAB CS(=O)(=O)N1CCC2(CCOC[C@H]2COc2ccccn2)CC1 96208315 WDFUMEAROSNBLE-AWEZNQCLSA-N 340.445 1.539 0 40 EDAB C[C@@H](CCc1cccn1C)NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1 96440406 AGHCHGMHUXUQQM-GJZGRUSLSA-N 344.463 1.658 0 40 EDAB CCOC[C@@H]1CN(C(=O)c2cscn2)Cc2nnn(CC3CC3)c21 96045624 YPFBNBMFFCHGPH-LBPRGKRZSA-N 347.444 1.921 0 40 EDAB Cc1cc(C(=O)N2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)[nH]n1 96077525 QWRZSCZEWMFEAD-QGZVFWFLSA-N 325.372 1.382 0 40 EDAB COC[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(C)c2)O1 96186031 XTIFHORHUQTYHW-BPUTZDHNSA-N 325.430 1.952 0 40 EDAB O=C(c1ccnnc1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1 96188373 ZGPYAODLRYKHRF-CQSZACIVSA-N 326.404 1.041 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@H]2[C@H](CNc3cccnc3)CC[C@@H]21 96082607 JMTPRLRXQOWECX-RRQGHBQHSA-N 339.399 1.603 0 40 EDAB CCn1nc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1C(N)=O 96182128 ULOLBSXTSZZLSO-UHFFFAOYSA-N 338.389 1.120 0 40 EDAB O=C(c1cccs1)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 96050848 RIAIZBNWKGUCPI-MRXNPFEDSA-N 328.397 1.807 0 40 EDAB COc1ccccc1/C(C)=C/C(=O)N1CCC[C@](O)(c2cnn[nH]2)C1 583617785 RSLAOPZAISDYLG-LVMGUKCRSA-N 342.399 1.727 0 40 EDAB C[S@](=O)c1ncn(C[C@H](O)c2ccc(OC(F)(F)F)cc2)n1 95438954 WSSDUSMSNBUBGI-MLMJSJRWSA-N 335.307 1.648 0 40 EDAB O=C(c1cnccn1)N1CCC2(CCN(C[C@@H]3CCOC3)C2)CC1 96157658 SFBGTYLCUIJRMU-HNNXBMFYSA-N 330.432 1.441 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc3c(c1)NC(=O)CS3)C2 97198886 NHVYXHHUDQAUKN-GFCCVEGCSA-N 342.424 1.981 0 40 EDAB CN1CCC[C@@H](NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1=O 96487108 YSMLDMXIEQQIRB-NEPJUHHUSA-N 331.199 1.764 0 40 EDAB COc1ccc([C@H](NC(=O)CN2CCCC[C@H]2C(N)=O)C(C)C)cc1 245237555 NOGJVXWBQJAPKQ-FUHWJXTLSA-N 347.459 1.848 0 40 EDAB COc1cc(NC(=O)N[C@H]2CCc3ncnn3C2)cc2cccnc12 585086471 JQLWYUSKGPKXIU-LBPRGKRZSA-N 338.371 1.971 0 40 EDAB COCc1ccccc1S(=O)(=O)N=c1nc([C@H](C)OC)[nH]s1 585129026 VKSADKNJZBQMIQ-VIFPVBQESA-N 343.430 1.615 0 40 EDAB CN(c1nccs1)S(=O)(=O)c1cnn(C)c1Br 585129538 MZMSQKQNHRIHBU-UHFFFAOYSA-N 337.224 1.464 0 40 EDAB Cc1nc(C2(C)CCN(S(=O)(=O)N(C)C)CC2)c2sccn12 257269443 MPYHPOHCOMTGJV-UHFFFAOYSA-N 342.490 1.864 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCO[C@H](c3ccnc(C)n3)C2)ccn1 257315922 VDGRWDKUPRQLIN-HNNXBMFYSA-N 341.371 1.352 0 40 EDAB CNC(=O)c1cc(C[C@H]2CCCN(C3CCOCC3)CC2)ncn1 257211304 BYJZHCQMPZMMBT-AWEZNQCLSA-N 332.448 1.660 0 40 EDAB CCn1nccc1-c1cc(C)nc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257246566 IURYYYAQXOLZMF-ZDUSSCGKSA-N 349.460 1.807 0 40 EDAB CCn1nccc1-c1cc(C[C@H]2CCN(S(C)(=O)=O)C2)ncn1 257210977 BWXWSTKFYAFASS-GFCCVEGCSA-N 335.433 1.184 0 40 EDAB Cc1csc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)c1 257228565 FUICWVHLXFNFEQ-KRWDZBQOSA-N 346.456 1.950 0 40 EDAB Cc1n[nH]c(C)c1-c1nccnc1[C@@H]1CCCN(S(C)(=O)=O)C1 257303135 SFYCJIBDNIODHY-GFCCVEGCSA-N 335.433 1.623 0 40 EDAB COc1cc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)ncn1 1615042683 UPNUONQXJFBBFT-SNVBAGLBSA-N 346.774 1.674 0 40 EDAB O=S(=O)(NCC1CC1)c1cnc(NCCO)c(C(F)(F)F)c1 1615045970 LOKLCBWHRXOYSI-UHFFFAOYSA-N 339.339 1.193 0 40 EDAB C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1nc(-c2cccnc2)oc1=O 1615548266 CSIAUJIPAVWBAE-GXTWGEPZSA-N 330.388 1.935 0 40 EDAB O=C(NC[C@H](O)CN1CCCC1=O)c1ccc(F)c2cccnc12 1615590830 QISSYZSGDNBQBF-NSHDSACASA-N 331.347 1.087 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)N[C@@H]3C(=O)OCCC3(C)C)cc12 1615571037 DZNQAPUZNUUSJQ-GFCCVEGCSA-N 331.376 1.740 0 40 EDAB COc1ccccc1OCCN(C)C(=O)[C@@H]1NCc2ncncc21 1615613886 AQVIRZZTJPXOQL-MRXNPFEDSA-N 328.372 1.167 0 40 EDAB Cc1cc(C(=O)Nc2nc(C(=O)NCCc3ccncc3)co2)no1 90583212 NRSAVCBYTYEFLN-UHFFFAOYSA-N 341.327 1.591 0 40 EDAB Cc1nnc(N2CCN(c3ncnc4c(F)cccc34)CC2)n1C 631340735 KQIDVJNSJXYXFQ-UHFFFAOYSA-N 327.367 1.532 0 40 EDAB O=C(c1ccco1)N1CCC[C@]2(CCN(C(=O)C3CC(O)C3)C2)C1 585099924 HXTMOULKVHTVNM-JRSKDTKFSA-N 332.400 1.505 0 40 EDAB O=C(c1cnc[nH]1)N1CCO[C@](CO)(Cc2ccc(Cl)cc2)C1 585275863 KIDAIMJISLBHSH-MRXNPFEDSA-N 335.791 1.509 0 40 EDAB C[C@@H]1CCCN(c2cc(C(=O)NC3(C(N)=O)CCOCC3)ccn2)C1 585085362 NLFZIJBSGDSOOX-CYBMUJFWSA-N 346.431 1.082 0 40 EDAB CCN(CCC(=O)OC)C(=O)c1cnn(C)c1-n1c(C)ccc1C 69420112 DHGNCZNJYYWFSF-UHFFFAOYSA-N 332.404 1.853 0 40 EDAB CN(C(=O)Nc1nncs1)[C@@H]1CCN(c2ccccc2F)C1=O 72281192 NOPJXHHXKAEFSC-LLVKDONJSA-N 335.364 1.946 0 40 EDAB Cc1cc(S(=O)(=O)Nc2nnc[nH]2)c(C)cc1Br 72414449 STJUDVRQPPQNDX-UHFFFAOYSA-N 331.195 1.985 0 40 EDAB CC(C)N(CC(=O)NC(=O)NC1CCCCC1)Cc1cnn(C)c1 55921996 JFJGPSNMWGJECT-UHFFFAOYSA-N 335.452 1.789 0 40 EDAB COc1cc(NC(=O)[C@@H]2CSCCC(=O)N2)cc(OC)c1OC 75171394 OYKYBFGMHCPMJU-JTQLQIEISA-N 340.401 1.273 0 40 EDAB Cc1cc(OCC(=O)N2CCO[C@H](c3nc(C(C)(C)C)n[nH]3)C2)no1 76046187 HCSSHVVYMMYTJL-NSHDSACASA-N 349.391 1.378 0 40 EDAB CC(C)CS(=O)(=O)C1CN(C(=O)Cn2cnc3ccccc32)C1 96380101 UUNDWVSGYAHKEE-UHFFFAOYSA-N 335.429 1.318 0 40 EDAB COc1ccc(CCN2CCN(c3nccc(N(C)C)n3)CC2)cc1 301709950 DCUFYTFSBFKRGR-UHFFFAOYSA-N 341.459 1.916 0 40 EDAB COCCn1c(Sc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C 12647434 NNNCDVUZNKCXKL-UHFFFAOYSA-N 346.412 1.529 0 40 EDAB COCCNC(=S)N1CCN(c2nc3ccccc3s2)CC1 13555773 XZHOBCRTZDRRKU-UHFFFAOYSA-N 336.486 1.939 0 40 EDAB Cc1cc(O)n2nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)cc2n1 19117176 MKDSONJKXZMQSC-CQSZACIVSA-N 330.388 1.628 0 40 EDAB CN(CCNC(=O)c1ccc(Cn2cnnn2)cc1)C1CCCCC1 19586110 XZDHIHANHSXEOF-UHFFFAOYSA-N 342.447 1.716 0 40 EDAB Cc1cc(=O)n(CC(=O)NC[C@@H](C)N2CCOCC2)c2ccccc12 19657066 LBNNLNKVDABFDY-OAHLLOKOSA-N 343.427 1.147 0 40 EDAB Cc1c(NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)nnn1C 572004732 CKIFSDCXIGEDGB-SECBINFHSA-N 335.314 1.393 0 40 EDAB CC(C)(C)NC(=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 35595038 DWTMXFNIHKZNEB-UHFFFAOYSA-N 346.431 1.863 0 40 EDAB COC1(CNC(=O)C(=O)Nc2ccc(F)cc2)CCSCC1 253395174 ZWJKBTBHIMGQOD-UHFFFAOYSA-N 326.393 1.793 0 40 EDAB Cc1ccc(N2C[C@@H](NC(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1 4373134 FCVAMTPHDCVYNU-AWEZNQCLSA-N 344.415 1.007 0 40 EDAB CCOc1ccc(C(=O)N2CC(Cn3nc(C)ccc3=O)C2)cc1 1775967399 QDHAVPOZXUMALJ-UHFFFAOYSA-N 327.384 1.723 0 40 EDAB O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccco1 35598480 SORYPPUVEAENKA-UHFFFAOYSA-N 348.424 1.610 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCC[C@H](Oc2cccnn2)C1 225458051 XDXINJCNSAKKNQ-HNNXBMFYSA-N 333.413 1.850 0 40 EDAB COc1ccc(C(=O)NCc2cn(-c3cccnc3)nn2)cc1OC 575618026 GXFXGIPXIKWKNO-UHFFFAOYSA-N 339.355 1.610 0 40 EDAB CN1c2cc(F)c(NC(=O)c3ccoc3)cc2N(C)S1(=O)=O 575611947 IZUFDQLXUPEQAM-UHFFFAOYSA-N 325.321 1.802 0 40 EDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2cccnc2)C(=O)C1 585150489 XZGDVDMNOJPSMF-UHFFFAOYSA-N 337.339 1.554 0 40 EDAB COC[C@@](C)(CNS(=O)(=O)c1ccc(F)c(Cl)c1)OC 575613026 PGBLNSDMOOITQU-GFCCVEGCSA-N 325.789 1.809 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@H](O)c2cccn2C)cc1C 75155120 KYMSTCOXCLARSM-HNNXBMFYSA-N 338.429 1.744 0 40 EDAB C[C@@H]1NC(C(=O)NCCc2ccsc2)=NN(c2ccccc2)C1=O 40091052 NTNAYNMHUNAUCL-LBPRGKRZSA-N 342.424 1.745 0 40 EDAB CCOC(=O)[C@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 40151913 SALQACCIVNCCCA-ZDUSSCGKSA-N 329.400 1.741 0 40 EDAB CN(CCCNC(=O)c1cc(Cl)c2c(c1)OCO2)S(C)(=O)=O 40515420 NPWVMJXZFGOSHH-UHFFFAOYSA-N 348.808 1.080 0 40 EDAB NC(=O)C1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1 40539478 DQZJKRDAPVKFCW-UHFFFAOYSA-N 340.427 1.552 0 40 EDAB Cc1cccc2c(=O)n(CCCC(=O)Nc3nncs3)cnc12 21215639 PTWTUODRVIWBRV-UHFFFAOYSA-N 329.385 1.975 0 40 EDAB Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)[nH]n2)cc1 32770020 ZCJBORXBTNVELG-LBPRGKRZSA-N 333.413 1.550 0 40 EDAB O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795033 DQMXXDRHJPJWOK-NVXWUHKLSA-N 328.412 1.823 0 40 EDAB CN1N=C(c2ccncc2)[C@@H](C(=O)c2ccc3c(c2)CCC(=O)N3)C1=O 103608621 MHVDAGBVVITOMZ-INIZCTEOSA-N 348.362 1.642 0 40 EDAB O=C(CNS(=O)(=O)c1ccccc1)NCc1ccccc1Cl 479223 WIRXFZKFUJGHAU-UHFFFAOYSA-N 338.816 1.935 0 40 EDAB COC(=O)N1Cc2sc3nc(C)cc(C)[n+]3c2CN1C(=O)OC 510175 OPEKMMNIVZWJMI-UHFFFAOYSA-N 337.381 1.564 0 40 EDAB CCCn1nnnc1NC(=S)NC(=O)COc1cc(C)cc(C)c1 569729 DYHQSVKTVPCPAH-UHFFFAOYSA-N 348.432 1.592 0 40 EDAB COc1ccccc1NC(=O)CON1C(=O)c2ccccc2C1=O 3121375 YJRMIPJFXBEWIM-UHFFFAOYSA-N 326.308 1.862 0 40 EDAB CN(C)C(C)(C)CNC(=O)N1CCC[C@H]1c1nnc2ccccn12 43189926 MGSUIZJJLXCUCE-ZDUSSCGKSA-N 330.436 1.916 0 40 EDAB CCc1ccc([C@@H]2CCCN2S(=O)(=O)N[C@@H]2CCC(=O)NC2)o1 78880926 PNPSHIRZURKKBO-YPMHNXCESA-N 341.433 1.092 0 40 EDAB COc1cc(C)ccc1OCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 78895911 RDQIJVZKSSCBOM-CVEARBPZSA-N 348.443 1.562 0 40 EDAB Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)n1 78900275 DAMCRYBERBCCFJ-QWHCGFSZSA-N 344.419 1.289 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2cc(C)sc2C)NC(=O)NC1 24746887 IFAKBXPJFBTECZ-UHFFFAOYSA-N 338.385 1.652 0 40 EDAB COC(=O)C1(NC(=O)CNC(=O)OCc2ccccc2)CCCC1 1719082 PPVKFDDKSMYRMW-UHFFFAOYSA-N 334.372 1.515 0 40 EDAB Cc1cnn(C[C@@H]2CN([C@@H](C(N)=O)c3ccc(F)cc3)CCO2)c1 106665773 OIWGYCZBIFKXCD-JKSUJKDBSA-N 332.379 1.258 0 40 EDAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 4113328 HOHXUPJXAPUKSF-YWPYICTPSA-N 336.413 1.886 0 40 EDAB Cc1ccc(-n2nnnc2SCC(=O)N2CCCC2=O)c(C)c1 4768164 WIGXMJWXBNMPDY-UHFFFAOYSA-N 331.401 1.520 0 40 EDAB Cc1ccc(NC(=O)C[C@@H](NCCOCCO)C(=O)O)cc1Cl 4939678 OVAOUBHDJSLWQE-CYBMUJFWSA-N 344.795 1.029 0 40 EDAB CCn1c(=O)c2sccc2n(CC(=O)N2CCCCCC2)c1=O 6678909 UTGITDOKIVFPAP-UHFFFAOYSA-N 335.429 1.647 0 40 EDAB CCOC(=O)c1ncn2c1nnc1c(=O)n(C3CCCCC3)cnc12 1414408 WJGPKZGSUQIBRP-UHFFFAOYSA-N 342.359 1.516 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)C[C@H]1N1CCOCC1 107323373 WWRLINJXEZDVPK-BPQIPLTHSA-N 344.455 1.807 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)o1 43722728 IHOXDCAWMRBAHC-VXGBXAGGSA-N 329.422 1.372 0 40 EDAB Cc1ccc(C(=O)NC2CCN(CC(=O)N3CCCC3)CC2)s1 56808824 FQWOUMIIFBHGNR-UHFFFAOYSA-N 335.473 1.873 0 40 EDAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2ncccc2C)cc1 12554978 DUSOSDDCPYFZMS-UHFFFAOYSA-N 349.412 1.706 0 40 EDAB COc1ccc(NC(=O)N2CCSCC2)cc1OCC(N)=O 58006532 KTRYHOATXINHBL-UHFFFAOYSA-N 325.390 1.140 0 40 EDAB CCc1ccc([C@H](C)NC(=O)NC2CCN(CC(=O)NC)CC2)cc1 58166131 VYBBJKSUUQFSKN-AWEZNQCLSA-N 346.475 1.820 0 40 EDAB CCOc1cc2c(cc1CNC[C@@H]1CCS(=O)(=O)C1)O[C@@H](C)C2 44862951 FUABRHBUXFYZHN-STQMWFEESA-N 339.457 1.933 0 40 EDAB COc1ccc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 10261936 VSSZXNJGGSHDKE-UHFFFAOYSA-N 336.373 1.059 0 40 EDAB Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(-n3cnnn3)c2)o1 58290772 GSYBPARRNPVSCJ-NSHDSACASA-N 333.373 1.603 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2F)C1=O 44944336 TTWDKWATZDUZAY-KRWDZBQOSA-N 347.321 1.953 0 40 EDAB CO[C@H](C)C(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 44979495 PYZTYDUAQPXKGY-MAUPQMMJSA-N 338.429 1.166 0 40 EDAB CCN(CC)C(=O)N1CCN(CCn2c(C)csc2=O)CC1 44917872 BVYJPXSIHIJCJM-UHFFFAOYSA-N 326.466 1.298 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 44970308 LHTYARLFWNSRKX-UONOGXRCSA-N 329.404 1.969 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)c3nccnc3N)CC2)c(F)c1 10339984 QDHVCPUJAILTAE-UHFFFAOYSA-N 343.362 1.363 0 40 EDAB CCS(=O)(=O)NCCNC(=O)[C@H](C)Sc1ccc(OC)cc1 58365210 YVPAZKYPMHTETE-NSHDSACASA-N 346.474 1.231 0 40 EDAB NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 58307932 SAPOLNKQPSIUDL-UHFFFAOYSA-N 326.399 1.276 0 40 EDAB Cc1cccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1C 58344010 FNHGJTQDQTZHQJ-KRWDZBQOSA-N 329.444 1.858 0 40 EDAB CCCS(=O)(=O)c1ccccc1C(=O)NCC(=O)OCC1CC1 58421458 APTHPWJWXSBHQQ-UHFFFAOYSA-N 339.413 1.553 0 40 EDAB CN(Cc1ccccc1)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 45857435 ALAUOYRAAHGRFR-UHFFFAOYSA-N 349.390 1.917 0 40 EDAB C[C@H]1CCCN(C(=O)c2nnc3ccc(N4CCOCC4)cc3n2)C1 57280172 CNBGDFPQRGTFLV-ZDUSSCGKSA-N 341.415 1.734 0 40 EDAB COC(=O)[C@@](C)(NC(=O)c1cnc(C)cn1)c1cc(F)ccc1F 60371030 KNECUJRCRPHPOE-INIZCTEOSA-N 335.310 1.881 0 40 EDAB O=C(c1sccc1-n1cnnn1)N1CCC[C@H]1[C@@H](O)C(F)(F)F 84618190 NEPVRRHXGLMFAD-WCBMZHEXSA-N 347.322 1.252 0 40 EDAB Cc1cc(C(=O)NCc2nc(=O)o[nH]2)nn1-c1ccccc1Cl 95989168 JJKSNMGRTQDTPI-UHFFFAOYSA-N 333.735 1.440 0 40 EDAB CN(Cc1cc(Cl)cc2c1OCOC2)[C@H]1CCS(=O)(=O)C1 48214337 IFPWPTAJXZOCLI-ZDUSSCGKSA-N 331.821 1.825 0 40 EDAB c1csc(CN2CCOC[C@@]3(C[C@@H](CN4CCCC4)CO3)C2)n1 107738774 FXBZZXVUKMYBTK-DOTOQJQBSA-N 337.489 1.846 0 40 EDAB C[C@@H](NC(=O)CCOc1ccccc1)c1ccc(S(N)(=O)=O)cc1 3376836 ADGHLTKQCJMCOZ-CYBMUJFWSA-N 348.424 1.980 0 40 EDAB O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)Cc1cn2ccsc2n1 95408413 KXTUCLSQHACWBE-AWEZNQCLSA-N 346.456 1.988 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)NCCCN2CCCC2=O)c1 62473317 ZWMWLNZZEBWVSU-UHFFFAOYSA-N 346.475 1.950 0 40 EDAB NC(=O)C1CCN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)CC1 95447930 NAQMDWHJGCHOOZ-AWEZNQCLSA-N 348.422 1.701 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)NCc1ccc(C(=O)O)cc1 3407963 BXGZDQAFFSEREH-UHFFFAOYSA-N 340.335 1.427 0 40 EDAB Nc1cc(C(=O)OCC(=O)NC(=O)NC2CCCC2)ccc1Cl 3451366 ROHYVJQPJRBORB-UHFFFAOYSA-N 339.779 1.847 0 40 EDAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)CC1=O 12915839 CWYMQBSTEBHBJV-BMFZPTHFSA-N 343.427 1.320 0 40 EDAB COc1cccc(-c2n[nH]cc2CNC[C@H]2CCS(=O)(=O)C2)c1 48709535 QJSFAJPHWCSHCH-GFCCVEGCSA-N 335.429 1.610 0 40 EDAB C[C@H]1C[C@H](OC[C@H](O)CN2CCN(CCO)CC2)CC(C)(C)C1 22588972 QNIXPBLAMUCLDU-BBWFWOEESA-N 328.497 1.189 0 40 EDAB Cc1ccc(-c2nc(C(=O)NN3CC(=O)NC3=O)cs2)c(C)c1 64022639 NSDRKLJHTXIIRI-UHFFFAOYSA-N 330.369 1.624 0 40 EDAB Cc1ccc(C)c(NC(=O)COC(=O)CNC(=O)c2ccco2)c1 6101612 VCTRWHAXRURTLT-UHFFFAOYSA-N 330.340 1.808 0 40 EDAB Cc1ccnc(NC[C@H]2CCN(CCCNS(C)(=O)=O)C2)c1 65474198 HZBUGWMLHLYGFA-CQSZACIVSA-N 326.466 1.063 0 40 EDAB COc1ccc(C(=O)NC(=O)COC(=O)c2cccc(C)c2N)cc1 9314859 WRTHOTXAZFLNTJ-UHFFFAOYSA-N 342.351 1.699 0 40 EDAB CCC(CC)NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 5342646 MBJIWCXLNDBVJH-GOSISDBHSA-N 345.399 1.521 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)NCc1ccccc1F 14166884 LMCCKMLMZWYRBU-UHFFFAOYSA-N 329.379 1.054 0 40 EDAB Cc1ccc(F)c(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 67558242 FDEVXHWMTHXNFS-NSHDSACASA-N 329.397 1.680 0 40 EDAB COc1ccccc1CNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 7398078 CEBYZQQGBOTJHA-KRWDZBQOSA-N 331.372 1.032 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1csc(S(N)(=O)=O)c1 68016391 WNPMEWXYGGVGSX-JQWIXIFHSA-N 346.474 1.721 0 40 EDAB Cn1c(=O)c2c(-c3ccccc3F)n(C(C)(C)CO)cc2n(C)c1=O 15921924 FLUMTVGNVOEEFM-UHFFFAOYSA-N 345.374 1.572 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCc1nc(-c2ccccn2)no1 71829596 QCOHTAFERFTCBC-NEPJUHHUSA-N 343.387 1.177 0 40 EDAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)C2CCN(c3ncccn3)CC2)C1 68211023 GXYPZKKOLASQSC-HZPDHXFCSA-N 345.491 1.930 0 40 EDAB CCNC(=O)N1CCN(C(=O)[C@H](C)OCc2cccc(OC)c2)CC1 68250433 QTOBOHXCTXGFPF-AWEZNQCLSA-N 349.431 1.474 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)NCC[S@@](=O)c1ccccc1 71896488 HSQSOHYRCCAPLH-NRFANRHFSA-N 343.470 1.268 0 40 EDAB NC(=O)c1ccccc1OCC(=O)N[C@@H]1CCOc2ccccc21 7964746 GGZWPLNKEZSUQT-CQSZACIVSA-N 326.352 1.804 0 40 EDAB Cc1cnn(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 71883287 OAUSBNQWDDOYTG-CQSZACIVSA-N 344.390 1.890 0 40 EDAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H](N2CCNC2=O)C1 71830580 SEJGISDSPWBSMS-MRXNPFEDSA-N 340.427 1.966 0 40 EDAB CC[C@@H](NC(=O)NCc1ccco1)c1cccc(S(N)(=O)=O)c1 71803852 KLNYABWNAJNUQL-CQSZACIVSA-N 337.401 1.878 0 40 EDAB COC(=O)CCCCNC(=O)N1CCN(c2ccccc2OC)CC1 69125088 YCYQKABCYBTJSB-UHFFFAOYSA-N 349.431 1.870 0 40 EDAB CN(C)S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 71909442 PZNXPZNGEXNWGU-UHFFFAOYSA-N 333.207 1.584 0 40 EDAB NS(=O)(=O)c1cnn(CCC(=O)N2CCC[C@H]2c2ccccc2)c1 69486972 DFZDUETWNNXMGW-HNNXBMFYSA-N 348.428 1.284 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)Cc1csc(-c2ncccn2)n1 69561106 UUCREOSDQYONOI-CYBMUJFWSA-N 331.445 1.743 0 40 EDAB O=C(CCC(=O)N1CCOc2ccccc21)NO[C@H]1CCCCO1 69874194 SCZSYJYXWMIYMP-KRWDZBQOSA-N 334.372 1.767 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@H](c1ccccc1)n1cccn1)C2 69808095 GTAHCHKGSZXPRQ-KRWDZBQOSA-N 336.399 1.669 0 40 EDAB C[C@@H](C(=O)NCCc1ccccc1)N1CCN(c2ccccn2)CC1 24115557 RDTGZUXMQRPQPR-KRWDZBQOSA-N 338.455 1.951 0 40 EDAB Cc1noc(CCNC(=O)N2CCO[C@@H](Cc3ccccc3)C2)n1 95988877 TYBFGHDFXIUYQL-HNNXBMFYSA-N 330.388 1.574 0 40 EDAB CCCc1nc(N[C@H]2COC[C@@H]2N2CCCCC2)c2cnn(C)c2n1 72156557 BWPFCXOSEIWIHL-GJZGRUSLSA-N 344.463 1.981 0 40 EDAB NC(=O)CN1CCN(C(=O)c2cccnc2SC2CCCC2)CC1 71185792 ZISBZAUEUUOFCA-UHFFFAOYSA-N 348.472 1.359 0 40 EDAB CN1CCN(c2ncccc2CNCc2cccc3cn[nH]c23)CC1 84017922 ZEQABNPFXIYREW-UHFFFAOYSA-N 336.443 2.000 0 40 EDAB C[C@H]1C[C@@H](NC(=O)N2CCC(CC(=O)N(C)C)CC2)CN1C1CC1 97080572 BMPARGMRSNCYGB-DZGCQCFKSA-N 336.480 1.512 0 40 EDAB CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(CCCc2cnn(C)c2)C1 84281206 KHODIAAWPRVAAS-INIZCTEOSA-N 346.435 1.167 0 40 EDAB Cc1cc(C(=O)NC2CCN(C(N)=O)CC2)nn1-c1cccc(F)c1 97233154 SCQNAHONPKCSNT-UHFFFAOYSA-N 345.378 1.593 0 40 EDAB NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2cscn2)c1 84340951 YNAHGDLQFQMFJI-UHFFFAOYSA-N 336.348 1.140 0 40 EDAB COc1ccc(NC(=O)CCNC(=O)c2cnccn2)c(OC)c1 72403775 CKHAKUSBLYGTAC-UHFFFAOYSA-N 330.344 1.252 0 40 EDAB Cc1nc(Cl)cc(N2CCCC[C@@H]2CCNS(C)(=O)=O)n1 75103481 MZBZPBZACVYPRA-LLVKDONJSA-N 332.857 1.737 0 40 EDAB CNS(=O)(=O)CC(=O)Nc1cc2ccccc2cc1C(=O)OC 75107669 ADEDANVOAJZOTQ-UHFFFAOYSA-N 336.369 1.114 0 40 EDAB CCN(C)S(=O)(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 89960875 NZDNDZZHMUJBQM-SNVBAGLBSA-N 327.233 1.813 0 40 EDAB CCc1noc(CCCC(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)n1 76051904 GGGGTKKCZYZFID-KBPBESRZSA-N 336.436 1.134 0 40 EDAB Cc1cc(C)c2cc(C(=O)N3CCN(CC[S@@](C)=O)CC3)[nH]c2c1 76020382 CYSJBXPCKLUSJY-DEOSSOPVSA-N 347.484 1.921 0 40 EDAB Cc1cc(C)c2cc(C(=O)N3CCN(CC[S@](C)=O)CC3)[nH]c2c1 76020378 CYSJBXPCKLUSJY-XMMPIXPASA-N 347.484 1.921 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccccc2)cc1 70639751 LJLMTLFCGRTYAN-GOSISDBHSA-N 328.368 1.658 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)N1CCN(c2cnccn2)CC1 28057420 TWHZEBZZCBMCJT-UHFFFAOYSA-N 339.465 1.108 0 40 EDAB O=C(N[C@H](CO)c1ccccc1)c1ccc(F)cc1-n1cnnn1 20736667 XWDCNATYNPGUOL-CQSZACIVSA-N 327.319 1.265 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)O)c(C)c1 548529641 KWOOEZSYSXWBLZ-QWHCGFSZSA-N 327.402 1.462 0 40 EDAB CCC(=O)N1CC[C@H](N[C@H](CN2CCOCC2)c2ccccc2C)C1 183725222 JDNKRTVSOIPLNQ-PKOBYXMFSA-N 345.487 1.969 0 40 EDAB COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(Cc2conc2C)C1=O 521395202 ZBOFMJSKAWITMG-QGZVFWFLSA-N 327.340 1.885 0 40 EDAB COC(=O)[C@H](NC(=O)c1ccccc1)c1nnc(C(F)(F)F)o1 35670992 IGOYINMBYICYGN-MRVPVSSYSA-N 329.234 1.733 0 40 EDAB COCCn1ccc(NC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)n1 78540145 XGJFWDFAHQNUPN-NSHDSACASA-N 349.357 1.630 0 40 EDAB Cc1ccc(S(=O)(=O)N2[C@H](CO)C[C@@H]3C(=O)CCCC[C@@H]32)cc1 219775656 HQDQZJOQDZVVJH-BPUTZDHNSA-N 337.441 1.878 0 40 EDAB O=C(CS(=O)(=O)NC[C@H]1CCCO1)NCCC1=CCCCC1 78493785 TXYZYHGNSURMIY-CQSZACIVSA-N 330.450 1.092 0 40 EDAB COc1ccc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cn1 85436230 YIOWRXAYGOARNB-MRXNPFEDSA-N 346.431 1.191 0 40 EDAB biogenic,in-vitro CCOC(=O)[C@H]1C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]1N2C 40564585 DDQLSUNZALBDML-GMXVVIOVSA-N 326.393 1.058 0 40 EDAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCCC1 224860929 YXSKQGCVHRRUJW-UHFFFAOYSA-N 340.445 1.501 0 40 EDAB C[C@@H](O)CNC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 48663984 VLZSJWPVOYXNSL-SNVBAGLBSA-N 334.401 1.007 0 40 EDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)nn1 225444734 WUOVTEBLOCVOHE-HNNXBMFYSA-N 344.390 1.904 0 40 EDAB C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)CCS(=O)(=O)C1 192199040 IZGXKNDPJZYTOA-ISWURRPUSA-N 348.468 1.791 0 40 EDAB Cc1ccc(N2C[C@H](NC(=O)[C@H]3CCc4[nH]cnc4C3)CC2=O)cc1 225514871 BAPAQIOAKNCZKG-UONOGXRCSA-N 338.411 1.745 0 40 EDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCc2c(nc(C3CC3)n2C)C1 83967350 ZAEJFPASIKXBPI-JSGCOSHPSA-N 332.448 1.339 0 40 EDAB COCCNC(=O)CN1CCN(C[C@H](C)C2CCCCC2)CC1 338880741 PYZLQKVQJDTHQX-INIZCTEOSA-N 325.497 1.583 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)N1CCCN(C(=O)C2CC2)CC1 97102878 ASEPFISPOKVKAM-UHFFFAOYSA-N 347.463 1.233 0 40 EDAB Cc1ncc(CNC[C@@H](C)N2CCN(C)CC2)n1-c1ccccc1 96460015 SWKFKKFYQJHTDS-MRXNPFEDSA-N 327.476 1.906 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2O[C@H](COCc3cccnc3)CC[C@@H]21 96186139 BPNMWBOQRMRSRS-KKUMJFAQSA-N 326.418 1.180 0 40 EDAB COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccsc1 96061105 AKDOJNVILVKQJA-AWEZNQCLSA-N 344.444 1.771 0 40 EDAB O=C1COC2(CCN(c3ncccn3)CC2)CN1Cc1cccnc1 96201417 SCFKWWSVONWNNU-UHFFFAOYSA-N 339.399 1.270 0 40 EDAB O=C1NC[C@H](COc2ccccn2)[C@]12CCN(Cc1nccs1)C2 96217227 LTJJVBYEMKILRR-CXAGYDPISA-N 344.440 1.555 0 40 EDAB Cn1cc(CN2CCC[C@]3(CCN(C(=O)c4ccccn4)C3)C2)cn1 96217266 ATJHHEWOCKCQFW-IBGZPJMESA-N 339.443 1.943 0 40 EDAB Cc1ccc(N2CCC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)nn1 96223235 WWBQICGNGWIVAQ-YOEHRIQHSA-N 344.394 1.954 0 40 EDAB Cn1cc(CNS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)cn1 96427783 SQLUEHSEOCZDEQ-UHFFFAOYSA-N 335.216 1.788 0 40 EDAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCSCC3)OCC(=O)N2C)cc1 96181584 ZHKTUFRANGEOQL-HOTGVXAUSA-N 334.441 1.469 0 40 EDAB Cn1cncc1CN1CCO[C@]2(CCCN(c3ncccc3F)C2)C1 96226400 QMDUNMPJQZFJKW-GOSISDBHSA-N 345.422 1.826 0 40 EDAB O=C(C[C@@H]1CO[C@@H]2CN(c3ccncn3)C[C@H]12)NCc1cccs1 96218901 ZHHJWXREAYVRFO-BPLDGKMQSA-N 344.440 1.696 0 40 EDAB COc1ncccc1CN1C[C@@H](C(=O)NCC2CC2)C[C@H]2OCC[C@H]21 96041207 MFKAIWRFASRSIA-GVDBMIGSSA-N 345.443 1.596 0 40 EDAB COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1nnc(C)n1C 96470213 PLNQIKFICIWDBO-AWEZNQCLSA-N 342.321 1.887 0 40 EDAB Cc1cnc(CNC(=O)[C@H]2CO[C@H]3CCN(CC4CC4)C[C@H]3C2)cn1 96066033 UAZOEFLBRSQUJR-NUJGCVRESA-N 344.459 1.538 0 40 EDAB COCCN(C)C(=O)c1ccc2nnc3ncn(CCOC)c3c2c1 96264253 NDUXFKBKJMDLAL-UHFFFAOYSA-N 343.387 1.344 0 40 EDAB Cc1nnc(N2CCC[C@]3(CN(Cc4ccccn4)CCO3)C2)o1 96226644 JFIGCPWXBFRAEB-KRWDZBQOSA-N 329.404 1.644 0 40 EDAB CC(=O)Nc1nc(CN2CCN([C@H]3CCSC3)CC2)cs1 96468524 CAKPINJNKFFMEH-ZDUSSCGKSA-N 326.491 1.725 0 40 EDAB O=C(Cc1ccco1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109031 AYRMQEZHVHUHCX-BEFAXECRSA-N 342.395 1.909 0 40 EDAB CN1CCN(Cc2cn3c(n2)CN(Cc2ccccn2)CC3)CC1 96059425 YAWZBUQYEYWMRS-UHFFFAOYSA-N 326.448 1.041 0 40 EDAB O=C(CCOc1ccc(F)cc1)N1CCC[C@](O)(c2cnn[nH]2)C1 583617770 QLIJWBUKXXDEFK-MRXNPFEDSA-N 334.351 1.223 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N1CC[C@@H](CN2CCCCC2)C1 96426736 QOIYNCBEWCFQGV-HNNXBMFYSA-N 342.505 1.678 0 40 EDAB CCCCS(=O)(=O)N1CCCN(c2nc(CC)ns2)CC1 96436463 RUOLQFUVLSJCLW-UHFFFAOYSA-N 332.495 1.743 0 40 EDAB COc1cc(N2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)ncn1 96182269 YOPABBIRTJOPCO-OKILXGFUSA-N 325.372 1.089 0 40 EDAB CN(Cc1cccnc1)[C@H]1CCN(C(=O)c2ccoc2)[C@@H](C(=O)O)C1 248145953 VUHUCPWKFZWCSJ-JKSUJKDBSA-N 343.383 1.864 0 40 EDAB NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)C[C@H]1OCCc2ccccc21 245358630 ZYTGKKUEZCWQQL-AXRYGOTBSA-N 328.412 1.707 0 40 EDAB C[C@]12CN(CCS(C)(=O)=O)C[C@]1(C)CN(Cc1ccccc1)C2 585133889 YZGWYHYLPVAQBY-QZTJIDSGSA-N 336.501 1.875 0 40 EDAB COCCOC(=O)C[C@@H](CNC(=O)c1ccn(C)n1)CC(C)C 585126265 UOKVIRDBFFAUBM-ZDUSSCGKSA-N 325.409 1.392 0 40 EDAB O=C(CC1(O)CCCCC1)N1CCOC[C@@H](Cc2cc(O)ncn2)C1 257246326 ITPNGQQXVAZKNZ-AWEZNQCLSA-N 349.431 1.285 0 40 EDAB O=C(O)CCc1cccc([C@H]2CCCN(CC3(O)CCOCC3)C2)n1 257269046 MOIVGMIIUQEXJZ-HNNXBMFYSA-N 348.443 1.820 0 40 EDAB CCO[C@H](C)C(=O)Nc1ccc(OCCN2CCNC2=O)cc1C 252496730 PQGGZBSSHLFJAK-CYBMUJFWSA-N 335.404 1.763 0 40 EDAB CN(C)S(=O)(=O)N1CCC(Cc2ccc(-c3cc[nH]n3)nc2)CC1 257246149 ISTNNFNRSJMNIQ-UHFFFAOYSA-N 349.460 1.533 0 40 EDAB NCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@]2(CCCCC(=O)N2)C1 257294087 QSJFJWYWUBNXLP-WMLDXEAASA-N 337.370 1.278 0 40 EDAB C[C@@]1(C2CCN(CC(N)=O)CC2)CN(Cc2ccccc2)C(=O)CO1 257218631 DDWLBFFGTBMINM-IBGZPJMESA-N 345.443 1.001 0 40 EDAB COc1ccccc1CN1CCN(C2CCOCC2)C[C@@H](C(N)=O)C1 257319519 VSXJBJMRXNGBIA-INIZCTEOSA-N 347.459 1.093 0 40 EDAB CC(C)n1nccc1CN1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1 257293471 QPNWMZUNNQRDMR-IAGOWNOFSA-N 345.399 1.786 0 40 EDAB O=c1/c(=C/NCc2ccccc2)sc2nc(-c3ccncc3)nn12 256055463 HUQNQKDPLQTPTL-KAMYIIQDSA-N 335.392 1.460 0 40 EDAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)COc2cccc(F)c2)[C@H]1O 257242670 IDPKHHTWTXSXMF-JFIYKMOQSA-N 347.390 1.980 0 40 EDAB O=C(O)[C@@H]1CCCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)C1 261669302 GTPXAULEXBHYIR-CQSZACIVSA-N 343.383 1.488 0 40 EDAB CCC[C@](C)(CC)C(=O)NCCN(CC)c1ccc2nnnn2n1 1100592697 OJXGUSZJWJMNCF-INIZCTEOSA-N 333.440 1.678 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)NCc3ccon3)CCO2)cc1OC 1615615129 OYHIQVAWDSWYKP-INIZCTEOSA-N 347.371 1.975 0 40 EDAB CC(C)c1nnc(COC2CN(C(=O)[C@@H](O)c3ccccc3)C2)o1 606445792 LJCHPTRBGHFMJR-HNNXBMFYSA-N 331.372 1.654 0 40 EDAB COC[C@]1(C(=O)O)CCCN1C(=O)[C@@H]1C[C@@]12CCc1ccccc12 643853409 ZMXNTRJEPYREBW-IPELMVKDSA-N 329.396 1.983 0 40 EDAB Cc1n[nH]c(C)c1-c1cncc(C[C@@H]2CCN(S(C)(=O)=O)C2)n1 585180225 PRFKCXPCBLTQEJ-LBPRGKRZSA-N 335.433 1.308 0 40 EDAB C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(C)(C)c1ccccc1 65614016 BJLKWIBDRFVALT-LBPRGKRZSA-N 331.416 1.799 0 40 EDAB Cc1ccc(OCCN2CCN(Cc3cnn(CCO)c3)CC2)cc1 70010582 GOFFNBNBLKJYBU-UHFFFAOYSA-N 344.459 1.380 0 40 EDAB COc1ccc(OCCCC(=O)N2CCN(C[C@@H](C)O)CC2)cc1 71871003 DHHZVAYKUBBQDM-OAHLLOKOSA-N 336.432 1.379 0 40 EDAB CCc1ncnc(N2CCN(c3ccnc(OC)c3)C(=O)C2)c1F 1776008019 SUHMMRCBRHBJBB-UHFFFAOYSA-N 331.351 1.435 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)NCc2ncn(C)n2)c(OC)c1 91790041 DDSFJLDVAVBSBH-CQSZACIVSA-N 345.403 1.879 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC(S(=O)(=O)CC(C)C)CC1 96374538 RNEGZWXQHSNFNI-UHFFFAOYSA-N 342.461 1.896 0 40 EDAB CC(=O)Nc1cccc(C(=O)N2CCN(Cc3nc(C)no3)CC2)c1 101518221 QZLAKQHYAJEHBB-UHFFFAOYSA-N 343.387 1.294 0 40 EDAB O=S(=O)(c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1)N1CCC1 1188770630 WEMMNKSJJQGTGI-UHFFFAOYSA-N 347.311 1.514 0 40 EDAB CN1C[C@@H](NC(=O)c2ccco2)C[C@H]1c1nc(-c2cccnc2)no1 12529867 QQYNVGWIRNKBGF-STQMWFEESA-N 339.355 1.900 0 40 EDAB biogenic,in-vitro COC(=O)C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(=O)OC 15108479 LMYZZFMHOYGRJD-RFQIPJPRSA-N 327.421 1.916 0 40 EDAB CCOC(=O)CCNC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C 19530508 UGEYTCXHVHLTNY-SUNYJGFJSA-N 344.367 1.143 0 40 EDAB Cc1ccc2[nH]c3c(=O)n(CCCN4CCOCC4)cnc3c2c1 19707987 MSIDXFQYDPOFTD-UHFFFAOYSA-N 326.400 1.909 0 40 EDAB CSc1nc(N2CCCCC2)c2cnn(CCNC(C)=O)c2n1 13010418 AQZWDDPYGRSWAJ-UHFFFAOYSA-N 334.449 1.675 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O 3487641 FYQGSWUSXKNKFO-ZDUSSCGKSA-N 337.807 1.923 0 40 EDAB CN(C)S(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)C(C)(C)C)c1 6436584 YLCVIXGUQDDOLN-UHFFFAOYSA-N 345.392 1.848 0 40 EDAB O=C1[C@@H]2CN(c3ncc(F)cn3)C[C@H]2C(=O)N1Cc1ccccc1 1888849733 YUOUIZOKADJVQV-ZIAGYGMSSA-N 326.331 1.237 0 40 EDAB COCC(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888853663 IGLCWAIBUAVGJT-IYBDPMFKSA-N 338.411 1.685 0 40 EDAB Cc1nsc(N2C[C@@H]3CN(c4nc(C)c(F)c(O)n4)C[C@H]3C2)n1 1888854080 LWEQBBXTBJAEPM-UWVGGRQHSA-N 336.396 1.362 0 40 EDAB COc1cnc(O[C@@H]2CCN(c3ncnc4c3CCCC4)C2)nc1 2087128279 GODVLTXGGNMUGB-GFCCVEGCSA-N 327.388 1.812 0 40 EDAB COc1cc(C(=O)N2CCC3(CC[C@@H](c4nc(C)no4)O3)CC2)on1 1565543020 DTCVCIKHOXHAQD-NSHDSACASA-N 348.359 1.901 0 40 EDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(OC[C@@H]2CCOC2)C1 1565523603 RQEIHXHECJGCRU-QWHCGFSZSA-N 349.383 1.447 0 40 EDAB CCCCCNS(=O)(=O)CCNC(=O)c1ccc(OC)cc1 4940987 PJSWYMRRANKNDV-UHFFFAOYSA-N 328.434 1.535 0 40 EDAB O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccn1 9844188 GHYGRISEHHCSOZ-UHFFFAOYSA-N 338.342 1.874 0 40 EDAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccon3)c2C)n1 16849620 BLSZFZIAWZZRJT-UHFFFAOYSA-N 342.359 1.440 0 40 EDAB CCc1ccc(C(=O)N2CC[C@]3(C[C@H]3C(=O)N3CCOCC3)C2)cn1 2055815375 DBLHLTKCGNLMBO-LPHOPBHVSA-N 343.427 1.355 0 40 EDAB O=C(C1CC(F)(F)C1)N1CC[C@]2(C[C@@H]2C(=O)N2CCOCC2)C1 2055815458 UNNOGFDGYXAIDF-DOMZBBRYSA-N 328.359 1.129 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1nnn(-c2ccccc2)c1-n1cccc1 206648205 GORYPYFOFAIINA-HNNXBMFYSA-N 337.383 1.967 0 40 EDAB Cc1cc(Br)cnc1N1CC(C(=O)N2CCOCC2)C1 2298042572 OJNARHRRUQNAMA-UHFFFAOYSA-N 340.221 1.448 0 40 EDAB COc1cccc(Nc2nc(NCCCO)nc3c2cnn3C)c1 7448729 BLBRTWVHDLCJSC-UHFFFAOYSA-N 328.376 1.910 0 40 EDAB CSC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(SC)c1 75157335 MJNXQIDXZDSQBX-CQSZACIVSA-N 328.459 1.577 0 40 EDAB CCOCc1cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1OC 40467520 RYMTYDMCDBOKSM-AWEZNQCLSA-N 341.429 1.491 0 40 EDAB CC(=O)C1=NO[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 100915460 LSYOTFNXUBUFFG-KOLCDFICSA-N 326.230 1.539 0 40 EDAB Cc1noc(-c2ccc(C(=O)N[C@@H](C)CN3CCOCC3)cc2)n1 40535729 SJLGMMRXPCYQPG-LBPRGKRZSA-N 330.388 1.496 0 40 EDAB Cc1ccc([C@H](C)NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 40516620 QHBMFHPBOBLNBT-LBPRGKRZSA-N 325.434 1.088 0 40 EDAB O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1-n1cnnn1 20716498 ZZUSRAIWJLJOTL-CQSZACIVSA-N 341.346 1.135 0 40 EDAB CCCNC(=O)[C@@H](C)Sc1nnnn1CCc1cccs1 32858483 GALMWKRDDJGDLI-SNVBAGLBSA-N 325.463 1.984 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)CNc1ccc(C(F)(F)F)cc1 21698430 QGRQNSDHVJFFEK-UHFFFAOYSA-N 329.322 1.854 0 40 EDAB COC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1 542534 VTPONXILNBKQOR-SOUVJXGZSA-N 345.399 1.893 0 40 EDAB O=C(Cc1ccccc1)NCC(=O)OC[C@H]1COc2ccccc2O1 22151336 WHGCAPZXQXYGOE-OAHLLOKOSA-N 341.363 1.729 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C1 53894010 NUVPXZMHECOMBX-MRVPVSSYSA-N 336.189 1.878 0 40 EDAB CCN1CCC(NC(=O)CCc2nc(-c3ccncc3)no2)CC1 22992144 SCQBZPDOGCYKEB-UHFFFAOYSA-N 329.404 1.665 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)n1 54121503 JDVCMYBHGKCNFM-KGLIPLIRSA-N 346.431 1.875 0 40 EDAB CC[C@](C)(CNC(=O)c1cccnc1N1CCCC1)N1CCOCC1 42774722 GTHOSMVPLXZJMZ-LJQANCHMSA-N 346.475 1.913 0 40 EDAB Cc1ccc(C)c(CC(=O)Nc2ccn(CCS(C)(=O)=O)n2)c1 78210514 TVNIPBJFWKVXHZ-UHFFFAOYSA-N 335.429 1.726 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)Nc3ncc(C)s3)CCO2)n1 78879746 OVEHWWRENJLBOT-ONGXEEELSA-N 336.421 1.279 0 40 EDAB O=C(NCc1cn2ccsc2n1)N1CCN(CC(F)(F)F)CC1 78983596 NNLDPAUQDHWFHI-UHFFFAOYSA-N 347.366 1.785 0 40 EDAB O=C(NCCOC(=O)[C@@H]1COc2ccccc2O1)c1cccnc1 2675162 VIJRZLOMGHOKAW-HNNXBMFYSA-N 328.324 1.195 0 40 EDAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3nncs3)c2C)n1 24760725 XOZYPUXBMSABPE-UHFFFAOYSA-N 343.416 1.929 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCN(C[C@H]2CCOC2)CC1 47700421 PWZCFNCQBIUGRD-CYBMUJFWSA-N 328.409 1.169 0 40 EDAB COc1ccc(S(=O)(=O)NCCNC(=O)/C=C(\C)C2CC2)cc1 55296185 DSAHSSQGAYSABH-VAWYXSNFSA-N 338.429 1.446 0 40 EDAB NC(=O)c1nn(C[C@@H](O)c2ccc(Cl)cc2)c(=O)c2ccccc12 24929300 SWTQZBJCPGVERV-CQSZACIVSA-N 343.770 1.882 0 40 EDAB CC(=O)Nc1ccc(C)c(NC(=O)CSc2nc(N)cc(N)n2)c1 4125090 PEEZRXHXRGAKIO-UHFFFAOYSA-N 346.416 1.639 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC(COc2ccccc2)CC1 55425930 YYTAQWTYLRTWGA-HNNXBMFYSA-N 337.441 1.739 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 4510806 HEQLZMQGPPTGSP-GFCCVEGCSA-N 328.409 1.753 0 40 EDAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N1CC[C@@H](CCO)C1 107592167 ATBWBKQAKFJVSZ-ROUUACIJSA-N 332.444 1.508 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccccc2F)CC1 12526961 CXBJLSBMAGZUIA-GFCCVEGCSA-N 345.426 1.542 0 40 EDAB C[C@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1ccccc1 9839341 AHDCSELEVQFMEN-LBPRGKRZSA-N 337.339 1.846 0 40 EDAB Cc1cc(C)c(NC(=O)CN(C)[C@H]2CC(=O)N(C3CC3)C2=O)c(C)c1 10169054 WVVKNNSAVRGPOR-HNNXBMFYSA-N 343.427 1.772 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H]1CN(C)CCO1 58156326 YXDZFRAFXOYAAG-OAHLLOKOSA-N 329.400 1.639 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)N2CCOCC2(C)C)C1=O 58210574 ZSADHVYCXLEIRK-CYBMUJFWSA-N 332.400 1.828 0 40 EDAB Cn1cc(/C=C/C(=O)N2CCC(c3nnc4n3CCC4)CC2)cn1 58283350 YNOWLUIAMHDTKW-SNAWJCMRSA-N 326.404 1.377 0 40 EDAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)c1cn2cccnc2n1 58210440 SJAKLSIVESWAJQ-JTQLQIEISA-N 341.293 1.012 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)C)C1 58244872 XXQYUEOCFZUCBZ-LBPRGKRZSA-N 328.409 1.623 0 40 EDAB O=C(CCNS(=O)(=O)c1cc(F)cc(F)c1)Nc1cccnc1 58310136 JYIKUYKUUOKHFK-UHFFFAOYSA-N 341.339 1.667 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)c(C)c1 58309258 SKYVCIBKKJNCPA-UHFFFAOYSA-N 342.461 1.394 0 40 EDAB CCCc1noc(CCC(=O)NCCC(=O)Nc2cccc(C)n2)n1 58325119 LWLACWDJFYMTIG-UHFFFAOYSA-N 345.403 1.803 0 40 EDAB Cc1c(C(=O)N[C@@H](C)c2ccncc2)cnn1[C@@H]1CCS(=O)(=O)C1 58405946 FCQVSVZQXRRTNV-SMDDNHRTSA-N 348.428 1.437 0 40 EDAB O=C(Cc1nc2ncccn2n1)N1CCc2[nH]c3ccccc3c2C1 36392388 KGLWGONRHKDOQI-UHFFFAOYSA-N 332.367 1.733 0 40 EDAB O=C(NCc1cc(-c2ccccc2)no1)N[C@H]1CCCCNC1=O 45668306 LEWIRLIBQJXLHX-AWEZNQCLSA-N 328.372 1.810 0 40 EDAB COc1ccc(C(=O)N2CCN(c3cnccn3)CC2)c(OC)c1 11544135 NAZZSHCVJRJDFY-UHFFFAOYSA-N 328.372 1.456 0 40 EDAB CCCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1C 11566113 MMPWSCVQQSNFLZ-UHFFFAOYSA-N 340.445 1.637 0 40 EDAB CC(=O)N1CCCN(C(=O)c2cc3c(C)nn(C)c3nc2C)CC1 45897339 PYJDZXUGOGZNJF-UHFFFAOYSA-N 329.404 1.280 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N[C@H]1COc2ccccc2C1 45836569 ZOIBVGPAEMKHKE-CQSZACIVSA-N 335.363 1.516 0 40 EDAB O=C1C=C(Nc2cccc(OCCO)c2)C(=O)N1Cc1ccco1 11613114 IMXKZXYQDYHUBO-UHFFFAOYSA-N 328.324 1.516 0 40 EDAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CC(=O)n1nnc2ccccc21 101530930 OCDCWSPHXVTQDJ-BGHFTGAHSA-N 348.362 1.125 0 40 EDAB CC(C)Oc1ccc([C@@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1 46211700 YQJVKNVEQAZVFF-GFCCVEGCSA-N 328.434 1.542 0 40 EDAB C[C@H](CNC(=O)c1cccc(Nc2ncccn2)c1)N1CCOCC1 29963890 ZWLOERCXKNGULB-CQSZACIVSA-N 341.415 1.671 0 40 EDAB CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCS(=O)(=O)CC1 47211361 KYYNBAJTFJERRR-CYBMUJFWSA-N 342.486 1.314 0 40 EDAB CCC[C@@H](NS(=O)(=O)NCC)C(=O)N1CCc2sccc2C1 172454176 BZIVFCJGTUAOSH-GFCCVEGCSA-N 345.490 1.245 0 40 EDAB CCN(Cc1ccc(OC)c(F)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 48235400 RYJNNGJVCWMTCP-GFCCVEGCSA-N 344.408 1.553 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCC3)C1 48276397 GOFCSZGAKZYMJO-OAHLLOKOSA-N 337.445 1.721 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCC2)c1 48289496 LXXHCJXAIKFBQY-NSHDSACASA-N 338.429 1.615 0 40 EDAB Cc1nnnn1-c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 71285125 VTRUCHFORULZRU-UHFFFAOYSA-N 337.339 1.629 0 40 EDAB CN(Cc1ccc(O)cc1)C(=O)NC1CCN(c2ncccn2)CC1 48343492 NWTRCBMNGNWWHF-UHFFFAOYSA-N 341.415 1.993 0 40 EDAB Cc1cc2oc(=O)cc(COC(=O)Cn3cnnn3)c2cc1Cl 6082860 CWQZMQPITPEUIB-UHFFFAOYSA-N 334.719 1.485 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)c1cnc3c(c1)c(C)nn3C)CC2 97199209 OMDMKDHEZXHXLR-GFCCVEGCSA-N 339.403 1.175 0 40 EDAB O=C(CSc1cccc2cccnc12)N[C@@H]1CCS(=O)(=O)C1 4248033 LBWSBCWQXGFVQD-GFCCVEGCSA-N 336.438 1.630 0 40 EDAB O=C(CSc1nnc2sc3ccccc3n12)N1CCNC1=O 14094414 LHMJNBGFXRKFOG-UHFFFAOYSA-N 333.398 1.588 0 40 EDAB CC(C)[C@H](C)NC(=O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 65554496 FHEOFEYSMULEKY-GOEBONIOSA-N 338.473 1.619 0 40 EDAB CN(C)C(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 65576139 MZXJYERQDRPLAQ-UHFFFAOYSA-N 328.409 1.895 0 40 EDAB O=C(CSCC(=O)N1CCOCC1)NCc1ccc(Cl)cc1 6508005 BZNVMAVKXDKFED-UHFFFAOYSA-N 342.848 1.548 0 40 EDAB CC(=O)N1CCN(CCNC(=O)Cc2cn(C)c3ccccc23)CC1 66045871 XYZPQLGNPZPGHM-UHFFFAOYSA-N 342.443 1.001 0 40 EDAB Cc1nc(S(=O)(=O)NCC(C)(C)N2C[C@@H](C)C[C@H](C)C2)cn1C 66101650 BGWXIIYZSKPSEO-STQMWFEESA-N 342.509 1.763 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1ccccn1)C2=O 5622423 VXMFASNUDMAUCA-UHFFFAOYSA-N 348.428 1.706 0 40 EDAB COc1cc(Cl)c(C)cc1NC(=O)CN(CC(N)=O)C(C)C 14927581 DMTXSQKGAFVZML-UHFFFAOYSA-N 327.812 1.791 0 40 EDAB CCCSc1ncc(Cl)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 6810513 LOCPUJLGGTYFGB-MRVPVSSYSA-N 349.865 1.549 0 40 EDAB O=c1c2cnc(N3CCCC3)nc2nc(O)n1-c1ccc(F)cc1 67264266 ZABIATPNAVTUCA-UHFFFAOYSA-N 327.319 1.621 0 40 EDAB Cc1cccc(C)c1-n1nnnc1S[C@H](C)C(=O)N1CCNC1=O 9499977 FFMIKHIVOIWRRZ-LLVKDONJSA-N 346.416 1.312 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)C2(c3ccc(F)cc3F)CCCC2)CCO1 90012266 ZIGCEACEPNARJU-AWEZNQCLSA-N 338.354 1.489 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(CCC(N)=O)c1ccc(F)cc1 71795699 BZBMYUKHCBWXRM-UHFFFAOYSA-N 341.364 1.501 0 40 EDAB Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H](C)C1CCN(C)CC1 72289420 MBDCDSLDWKEAPV-ZDUSSCGKSA-N 343.435 1.823 0 40 EDAB Cc1ccc([C@H](CNC(=O)CCN2C(=O)CCC2=O)N2CCCC2)o1 69707332 XLOSCACPOSAZRM-AWEZNQCLSA-N 347.415 1.380 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCCC[C@@H]1Cn1cccn1 71865000 UYCUCYCZXPNXMP-CQSZACIVSA-N 340.383 1.872 0 40 EDAB CC(C)NC(=O)CNC(=O)CN1CCc2sccc2[C@@H]1C1CC1 7880448 NOZWMIMECSWJSZ-KRWDZBQOSA-N 335.473 1.698 0 40 EDAB Cc1nnc([C@H](C)N2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)o1 71819443 XAQSBYGBOWECNW-UPJWGTAASA-N 336.436 1.787 0 40 EDAB COc1c(C)cnc(CN2CCc3cc(S(N)(=O)=O)ccc32)c1C 71893600 HNGCCYZWBAJBDV-UHFFFAOYSA-N 347.440 1.917 0 40 EDAB C[C@H](NS(C)(=O)=O)C(=O)Nc1nnc(CC2CCCCC2)s1 70039162 WWMYRQMSPASTJP-VIFPVBQESA-N 346.478 1.537 0 40 EDAB C[C@H]1CCCC[C@H]1OCC(=O)N1CCN(C(=O)c2cnccn2)CC1 71903554 DINDJEJNULSAFA-GOEBONIOSA-N 346.431 1.356 0 40 EDAB O=C(Nc1ccc2c(c1)CCC2)C1=CN2CCS(=O)(=O)N=C2C=C1 8395104 IHXCDUKSGRZFMU-UHFFFAOYSA-N 343.408 1.611 0 40 EDAB CCN(CC)CC(=O)N1CCC[C@@H](c2nnc(S)n2CC)C1 69487359 BHXNJNVIWVNMTM-GFCCVEGCSA-N 325.482 1.635 0 40 EDAB CC(C)CN(CCCNS(C)(=O)=O)C[C@H](O)c1ccc(F)cc1 71912010 UOSRFCUTKRENLA-INIZCTEOSA-N 346.468 1.756 0 40 EDAB Cn1cc([C@@H]2[C@H](C(=O)O)CC(=O)N2CCOc2ccccc2)cn1 69567466 UDUKGODZFNTHIU-GDBMZVCRSA-N 329.356 1.473 0 40 EDAB CNc1ccc(S(=O)(=O)NC)cc1NC(=O)[C@H]1C[C@@H]1c1ccco1 69586034 UPSWZKJINIETSG-RYUDHWBXSA-N 349.412 1.972 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(Cc2nccn2CC(F)(F)F)CC1 69536142 JWLGIOCRXOINCS-ZDUSSCGKSA-N 348.413 1.970 0 40 EDAB CCN1CCCC[C@@H]1C(=O)N1CCCN(c2ccc(C)nn2)CC1 69517956 YHCIQDUDNHURNL-MRXNPFEDSA-N 331.464 1.698 0 40 EDAB Cn1cc(CN2CCN(C[C@@H](O)c3ccc(F)cc3F)CC2)cn1 69625282 CDLHMYPWUXLYHA-QGZVFWFLSA-N 336.386 1.550 0 40 EDAB CCc1noc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 69707450 BKKLKLQYPCQAFZ-GFCCVEGCSA-N 332.408 1.647 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)Cc1cccc(F)c1)C2=O 18023024 QVDBNVUEELEBLF-UHFFFAOYSA-N 333.363 1.900 0 40 EDAB C[C@@H](OCc1ccccc1)C(=O)N1CCN(c2ccc(=O)[nH]n2)CC1 69844942 GTEQABREVBQBAS-CQSZACIVSA-N 342.399 1.024 0 40 EDAB O=C(Cn1cc(-c2ccccc2)cn1)N1CCN(C(=O)C2CC2)CC1 69846162 ZAXLQOJGCLBAQE-UHFFFAOYSA-N 338.411 1.631 0 40 EDAB O=C(NC(=S)NCCCCN1CCOCC1)c1cccs1 18191348 XMYDGSFWNJRPOZ-UHFFFAOYSA-N 327.475 1.465 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC[C@](O)(C(F)(F)F)C1 69973638 ISCGXIVQRRHQBL-GXFFZTMASA-N 339.358 1.246 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)c2ccc(C)c(C)c2)cn1 8745331 AWYNAZOYFAYQLK-UHFFFAOYSA-N 327.384 1.753 0 40 EDAB CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1nc(C)c(C)[nH]c1=O 92496327 UODFLZFXKDZDJF-HNNXBMFYSA-N 329.400 1.891 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c(F)c1 95994981 HJYQCGQKSFIRJQ-CYBMUJFWSA-N 338.408 1.827 0 40 EDAB COCCN(C(=O)c1cc(C)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 95966892 UKQGBQHIFMIVFJ-AWEZNQCLSA-N 345.848 1.924 0 40 EDAB C[C@@H](CN(C)S(=O)(=O)c1cccc2ccccc12)c1nnn[nH]1 95941934 QCZOTDITFVTMDK-NSHDSACASA-N 331.401 1.777 0 40 EDAB CC(C)[C@@H]1CN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CCS1 74656299 FBRRCYYPKXRKAU-CVEARBPZSA-N 342.553 1.653 0 40 EDAB CCc1nncn1CCNC(=O)[C@H](C)OCc1cccc(OC)c1 75144790 LHQCIFVCIOJBHB-ZDUSSCGKSA-N 332.404 1.571 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N[C@@H]1CCCNC1=O 89793086 SBZRSZGTWPQFHR-SNVBAGLBSA-N 347.343 1.083 0 40 EDAB Cc1nc(CC2CC2)oc1C(=O)N1CCC(c2nc(O)n[nH]2)CC1 552015494 WPCRYHBVNQGOCT-UHFFFAOYSA-N 331.376 1.779 0 40 EDAB O=C(NC[C@H]1CCCN(Cc2c[nH]cn2)C1)c1cccc2c1OCC2 67473459 XKRWLKVNCACWGH-CQSZACIVSA-N 340.427 1.987 0 40 EDAB Cc1cnc(COCC(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)o1 557067124 MKFMHAQMCVOYKX-CABCVRRESA-N 334.347 1.973 0 40 EDAB CCn1c(C)nnc1CN1CC[C@@](NC(C)=O)(c2nc(C)cs2)C1 548665023 KHDJSTPSBXZNPZ-INIZCTEOSA-N 348.476 1.609 0 40 EDAB CC(C)[C@H](CO)NC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O 504231114 ZOPVEJKOSAIVKU-CABCVRRESA-N 347.415 1.020 0 40 EDAB biogenic CCC[C@@H](C)NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408705840 OLQHOTKVCIEOLE-CYBMUJFWSA-N 342.461 1.762 0 40 EDAB Cn1cc(C[C@H]2CC(=O)N(C[C@@H](O)c3ccccc3Cl)C2=O)cn1 72914624 WUQFBTMZAHOHDR-SWLSCSKDSA-N 347.802 1.725 0 40 EDAB CCC[C@H](C)Nc1ccc(S(=O)(=O)NCCOC)cc1C(=O)O 217599299 DRJPSPUGJKBYQI-NSHDSACASA-N 344.433 1.910 0 40 EDAB C[C@@H](CN(C)C(=O)c1ccc(-n2cccn2)c(F)c1)c1nnn[nH]1 124469273 ADWRQKBNDABYQJ-JTQLQIEISA-N 329.339 1.400 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)NC[C@H](C(=O)O)C1CCOCC1 567581470 DMMWNKLGOOBJII-LBPRGKRZSA-N 345.392 1.540 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nnc(-c2ccnn2C)o1 38488069 FNCRWRQRLLOFCK-TVQRCGJNSA-N 341.327 1.637 0 40 EDAB Cc1ncsc1CCOC(=O)c1ccc(CS(C)(=O)=O)o1 78442200 HNHYRPQIQZOCAW-UHFFFAOYSA-N 329.399 1.989 0 40 EDAB CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)S(C)(=O)=O 79038240 UVEDVKINYIUYFY-QMMMGPOBSA-N 333.431 1.859 0 40 EDAB CCn1nc(C)c(NC(=O)c2cc(NC(=O)C3CC3)n(C)n2)c1C 46089101 QWEVEQSENKKJBC-UHFFFAOYSA-N 330.392 1.854 0 40 EDAB CCOc1cc(NS(=O)(=O)c2ccc(OC)c(F)c2)ncn1 75166481 MMJKFUUABJEHCD-UHFFFAOYSA-N 327.337 1.824 0 40 EDAB CN(CCCN1C(=O)CNC1=O)[C@H]1CCCN(c2ccccc2)C1 81014037 GOZYTANQUSYAPA-INIZCTEOSA-N 330.432 1.529 0 40 EDAB Cc1cc(S(=O)(=O)Nc2cccnc2)ccc1OCC(=O)N(C)C 226686101 XTBZLPOKGMUSNM-UHFFFAOYSA-N 349.412 1.658 0 40 EDAB CO[C@H]1CC[C@@H](NC(=O)N2CCC(CN3CCN(C)CC3)CC2)C1 192209034 UMLFOOLMVSCZCD-SJORKVTESA-N 338.496 1.223 0 40 EDAB O=C(NCc1cn(-c2ccccc2)nn1)[C@H]1NCCc2ccccc21 195543704 LVCMPRNQIOHAJK-SFHVURJKSA-N 333.395 1.771 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1 96426668 QBBTXSNFVYCNOB-KGLIPLIRSA-N 339.399 1.208 0 40 EDAB O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2ccoc2)O1 96057554 OEPNJKXQQCYGJV-BZUAXINKSA-N 344.367 1.951 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2cccs2)Cc2ncn(C)c21 96044862 URGHYMZNPAMSFE-ZDUSSCGKSA-N 348.472 1.686 0 40 EDAB O=C(CS(=O)(=O)c1nccs1)NCCc1c(F)cccc1F 96475610 YLRONOUKORDCDN-UHFFFAOYSA-N 346.380 1.554 0 40 EDAB Cc1nc(C)c(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)nc1C 583618210 ODVXKWROTVPMGD-QGZVFWFLSA-N 344.419 1.308 0 40 EDAB O=C(Cc1cccnc1)N1CCC[C@]2(CCN([C@@H]3CCOC3)C2)C1 96158233 ZWHQRVWQUIRWGC-IEBWSBKVSA-N 329.444 1.728 0 40 EDAB C[S@@](=O)c1ncn(C[C@H](O)CO[C@@H]2CCCc3ccccc32)n1 96484768 RJMIQIFDSYZBGJ-WXQIDZRNSA-N 335.429 1.471 0 40 EDAB CN(C)CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(F)cc1 96181909 MKOCMYYBGRLTIE-WBVHZDCISA-N 335.423 1.803 0 40 EDAB O=C(C[C@H]1CCCO1)NCc1ccccc1CN1CCC(O)CC1 96449865 NNQMGKIUQMMPHY-GOSISDBHSA-N 332.444 1.829 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)[C@@H]3CCOC3)CC2)N1 96069720 CSVWZCYSHSHLFL-CABCVRRESA-N 329.400 1.083 0 40 EDAB O=C(Cc1ccccn1)N1CC[C@]2(CCCN(c3ncccn3)C2)C1 96216875 OIQYXYHTWMBTHU-LJQANCHMSA-N 337.427 1.933 0 40 EDAB COCCN1CC[C@H]2C[C@H](C(=O)N(C)Cc3ccccn3)O[C@H]2C1 96043265 UIVFWZMTUXPXFS-UAGQMJEPSA-N 333.432 1.166 0 40 EDAB CCCS(=O)(=O)N1CCN(CCOC)c2nc(C)ccc2C1 96199049 GFIFMRCKGDTMKA-UHFFFAOYSA-N 327.450 1.398 0 40 EDAB CO[C@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2ccnn2C1 248055456 OIFTUYIOVHOJMT-ZDUSSCGKSA-N 325.372 1.441 0 40 EDAB C[C@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)N1CCOC[C@H]1C 245339261 RNYDJRXDSJIJGK-XJKCOSOUSA-N 340.851 1.989 0 40 EDAB COCCC(=O)N1CC2(C[C@@H](OCc3cccc(C)n3)CCO2)C1 247878371 QDIRJRGRNSFJTO-INIZCTEOSA-N 334.416 1.703 0 40 EDAB Cc1ccc(CC[C@H](C)NC(=O)N2CCOC[C@H]2c2ncnn2C)o1 252488330 IPEVUJRUBBNQCB-WFASDCNBSA-N 347.419 1.821 0 40 EDAB CCNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1 257343159 ZRSOZOXIBLSBOT-NCOADZHNSA-N 333.432 1.351 0 40 EDAB COc1ccc([C@@H]2CNCCN2C(=O)c2cc(C)nc(O)n2)cc1 257253333 JYLPEYPGUNQQBC-HNNXBMFYSA-N 328.372 1.286 0 40 EDAB CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2ccnc(C)n2)n1 257314254 UWAYQPUJNGWGPQ-INIZCTEOSA-N 340.387 1.188 0 40 EDAB Nc1nccnc1C[C@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 257208608 BMWBWMGFRRBNPB-GFCCVEGCSA-N 340.431 1.756 0 40 EDAB CNC(=O)c1cnn2c([C@@H]3CCCN(c4ncccn4)C3)ccnc12 257308188 TVTSISUZCOLBRP-GFCCVEGCSA-N 337.387 1.263 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 257210915 BWRCBEHCLRNJGG-LBPRGKRZSA-N 348.428 1.309 0 40 EDAB O=C(NCCCc1ccccc1)N1CCN(C[C@H](O)C2CC2)CC1 85466819 TULRLXWRUORDSQ-SFHVURJKSA-N 331.460 1.717 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ncccn3)CCO2)n1 257300650 RVENEAFDKRPYSY-HNNXBMFYSA-N 327.388 1.460 0 40 EDAB COc1ccc(C(=O)NCCn2ccc3ccoc3c2=O)c(OC)n1 253395818 COVPEFOVVIRXNB-UHFFFAOYSA-N 343.339 1.437 0 40 EDAB Cc1cc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)nc(C)n1 257233750 GQOFECSTLCRNDU-MRXNPFEDSA-N 330.388 1.841 0 40 EDAB Cc1cnc(C(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)cn1 257231255 GFYGJDJBRJPQGK-KRWDZBQOSA-N 327.388 1.921 0 40 EDAB CCn1cc(Br)c(C(=O)N[C@@H](C)C(=O)N2CCCC2)n1 1615613048 PJFGTGZXKARWPE-VIFPVBQESA-N 343.225 1.406 0 40 EDAB COCC1(c2ccccc2)CN(C(=O)[C@@H]2CCc3nccn3C2)C1 1615621096 HITYAFUVFBGOQR-OAHLLOKOSA-N 325.412 1.872 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CC2(CCN(C(=O)[C@@H](C)O)CC2)O1 1616031950 GWVQDLFXVGXPHX-HZPDHXFCSA-N 332.444 1.649 0 40 EDAB CN(C)c1ncc(NC(=O)Nc2ccc3c(c2)OCO3)c(N(C)C)n1 96098768 UQURCMPOVCDZMU-UHFFFAOYSA-N 344.375 1.981 0 40 EDAB CCN1CCN(C(=O)c2cc(S(N)(=O)=O)oc2C)c2ccccc21 390833646 KVEPHNWDOIAWCV-UHFFFAOYSA-N 349.412 1.722 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575406120 WCGNDURRWCIFDE-HUUCEWRRSA-N 334.441 1.721 0 40 EDAB CCOC[C@H]1CN(C)C2(C1)CN(S(=O)(=O)c1ccccc1F)C2 585093968 UUFZISIPFDJDMN-CYBMUJFWSA-N 342.436 1.557 0 40 EDAB CCc1ccc([C@@H]2COCCN2C(=O)NCCc2ccn(C)n2)o1 680630483 NIJBMGBYKUYVPE-HNNXBMFYSA-N 332.404 1.901 0 40 EDAB COC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2cc(C)ccn2)nc1 69808594 PZSVBMQKMRJTRA-UHFFFAOYSA-N 342.355 1.282 0 40 EDAB CCOc1cc2c(cc1CNC(=O)c1nccnc1N)O[C@H](C)C2 32860457 MWBKCJYNIPNCKG-SNVBAGLBSA-N 328.372 1.711 0 40 EDAB Cc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c(=O)[nH]1 75119175 ROLNKDGFXLWRRI-KRWDZBQOSA-N 341.411 1.487 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCC[C@H](c2nncn2C2CC2)C1 600180216 JXAQEDYMOWDJHR-LBPRGKRZSA-N 340.449 1.144 0 40 EDAB OCc1cn(-c2ccc(NCc3nnnn3-c3ccccc3)cc2)nn1 97108609 AEFCYUYCHLSHRI-UHFFFAOYSA-N 348.370 1.347 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CN1CCNC(=O)[C@@H]1C(C)C 104062576 UDYPLRWKRDSGMM-HNNXBMFYSA-N 339.823 1.744 0 40 EDAB CC(C)n1cc(Br)cc1C(=O)N[C@H]1CCN(C(N)=O)C1 96431045 ITXPAXSIPGKOCS-JTQLQIEISA-N 343.225 1.714 0 40 EDAB COc1cc2c(cc1OC)[C@H](c1c(O)cc(C)n(C)c1=O)OC2=O 11691422 IIWDWXQHHFNASZ-OAHLLOKOSA-N 331.324 1.676 0 40 EDAB Nc1cc(-c2cccs2)nn(CC(=O)N2CCCCCC2)c1=O 12146727 HZTLDXSAHCCXQP-UHFFFAOYSA-N 332.429 1.957 0 40 EDAB Cc1cc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCO4)nn1C 12226470 SQSNNGNCUOPQEV-FOCLMDBBSA-N 330.369 1.752 0 40 EDAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 14607435 NXRYLHIDWULZRT-JKSUJKDBSA-N 344.411 1.589 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 17071228 FMJDCYGHTXSOJC-KLUNEYRZSA-N 340.379 1.601 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)N1CC(C(=O)N2CCN(C)CC2)C1 19748542 ATASLNPMFKLNTB-UHFFFAOYSA-N 340.427 1.322 0 40 EDAB COc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1 206726094 DLVAJUKFEGVDSF-UHFFFAOYSA-N 348.428 1.564 0 40 EDAB CCCS(=O)(=O)Nc1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2 13696651 PFUDQXZMCUTBEQ-HNNXBMFYSA-N 338.429 1.906 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(C(=O)c2occc2C)C1 583619190 PZAKKKSRHFXSET-NEPJUHHUSA-N 327.344 1.628 0 40 EDAB COCC(=O)N1CCC(Cn2c(C)nc3cc(F)ccc3c2=O)CC1 1888856942 YJSKASPWCMFVGU-UHFFFAOYSA-N 347.390 1.729 0 40 EDAB CN(C)C(=O)CN1CCCN(Cc2ncc(-c3ccccc3)o2)CC1 24676450 SOLXWRNVEAZNIF-UHFFFAOYSA-N 342.443 1.938 0 40 EDAB CC1CCN([C@@H]2CSC3(C2)CN(C(=O)C2=CC=NC(=O)C2)C3)CC1 2056223379 IPBBDKFHBBIKPD-HNNXBMFYSA-N 347.484 1.732 0 40 EDAB CC(C)N(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)O1 1565548426 BYWYQSGFQZDRKP-PBHICJAKSA-N 336.436 1.140 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC[C@@]2(CC1)CN(Cc1ccoc1)CCO2 2055785457 LEDHATZZAOZJJN-IEBWSBKVSA-N 348.443 1.900 0 40 EDAB Cn1cc(-c2nccnc2CNC(=O)Cn2cnc3ccccc32)cn1 575620732 USVAWQOOBHMAOP-UHFFFAOYSA-N 347.382 1.543 0 40 EDAB COC[C@@](C)(CNS(=O)(=O)c1cccc2nsnc12)OC 575612507 MUDLDNTYEXRMIQ-GFCCVEGCSA-N 331.419 1.021 0 40 EDAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)cc1 31080770 JXJQODZHLNKPJC-HNNXBMFYSA-N 349.456 1.780 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)NCCCN1CCc2ccccc2C1 40509353 BPOKHBBDGJQHAY-GOSISDBHSA-N 329.444 1.562 0 40 EDAB Cc1cccc(N2CCN(CCCN3C(=O)NC(C)(C)C3=O)CC2)c1 40515879 UUZFSZQYKWQFOY-UHFFFAOYSA-N 344.459 1.838 0 40 EDAB O=C(CS(=O)(=O)c1ccccn1)N1CCC(c2ccccc2)=N1 40539947 VNEBAWFEVNMCPM-UHFFFAOYSA-N 329.381 1.492 0 40 EDAB CNC(=O)c1nc(-c2ccc(COc3c(C)occc3=O)cc2)no1 32103657 BJFFLHGHWXVZBS-UHFFFAOYSA-N 341.323 1.937 0 40 EDAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC3)cc2)C[C@@H](C)O1 32736058 UBUKLLDXPHSTIA-CHWSQXEVSA-N 338.429 1.330 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NCc1cccc(N2CCCC2=O)c1 41177572 PLMQIUXCOTWAAX-CQSZACIVSA-N 341.415 1.898 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc(NC(N)=O)cc2)cc1 32899152 WZRQOUNFWJVDNR-UHFFFAOYSA-N 347.396 1.511 0 40 EDAB CCOC(=O)/C=C/c1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)cc1 32912528 PSBHPJMVNKPJPV-MNOINKQASA-N 349.408 1.413 0 40 EDAB C[C@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 32913392 CPZPFXNRUWUSEH-QGZVFWFLSA-N 342.330 1.626 0 40 EDAB O=C(NCc1ccc2c(c1)OCCO2)c1ccnc(-n2cncn2)c1 53756543 WZXPFENVYQHLTE-UHFFFAOYSA-N 337.339 1.364 0 40 EDAB CN(C)c1ccc(-c2nnn(CC(=O)N3CCCCCC3)n2)cc1 415072 DMAKUWAPGLEDMU-UHFFFAOYSA-N 328.420 1.809 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)NCCc1ccc2c(c1)OCCO2 47718224 FELCTWKDSAMHDI-CQSZACIVSA-N 349.431 1.020 0 40 EDAB C[C@H]1Oc2c(cccc2C(=O)N(CC(=O)NC2CC2)C2CC2)NC1=O 78504519 BWKSHYFFJXVBFZ-SNVBAGLBSA-N 343.383 1.289 0 40 EDAB Cc1cc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)n[nH]1 78901948 BCYSOQGJRBZPJQ-GJZGRUSLSA-N 330.432 1.683 0 40 EDAB COC(=O)[C@@H]1[C@@H]2C(=O)N([C@H](C)c3ccc(OC)cc3)C[C@]23C=C[C@H]1O3 4124780 NNCKSAGIHJUGAY-KVVZWBNGSA-N 343.379 1.711 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2[C@H](C)C(=O)Nc2ncccn2)n1 106664368 FJILUOLOCINMEA-BXUZGUMPSA-N 329.408 1.177 0 40 EDAB COc1ccc(C(=O)NCCNC(=O)c2sc(C)nc2C)cc1 55565495 SSQAHUBRDFASFA-UHFFFAOYSA-N 333.413 1.928 0 40 EDAB Cc1csc(N2CCN(c3ncnc4c3cnn4C)C[C@H]2C)n1 106773670 ZPZXZVJLPUXWNM-LLVKDONJSA-N 329.433 1.843 0 40 EDAB COC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)C)cc21 4965794 DNEBHCIXTQQDNN-UHFFFAOYSA-N 334.372 1.502 0 40 EDAB NC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 25333310 ZBBUQKYGJHSRFC-CQSZACIVSA-N 329.400 1.193 0 40 EDAB Cc1cc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)nc(N)n1 43533493 WDRYUBODRXBBPU-UHFFFAOYSA-N 325.416 1.624 0 40 EDAB O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCO[C@@H]2CCC[C@@H]21 56197140 FJMXGYVWVBJQMW-LSDHHAIUSA-N 331.347 1.316 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=O)c2ccc(NC3CC3)nc2)cc1 57212457 IVUGVMFSXAKBFA-UHFFFAOYSA-N 345.424 1.989 0 40 EDAB COCCCNC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 8478734 MUTNKKJGANHICO-UHFFFAOYSA-N 342.461 1.694 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(C[C@H]2CCOC2)C1)c1cccc(F)c1 108348002 YWPMSMNVOYQASJ-UKRRQHHQSA-N 342.436 1.605 0 40 EDAB C[C@H](C(=O)N1CCN(CCOc2ccccc2)CC1)n1cncn1 44576501 DKNXCLZGPTWONO-OAHLLOKOSA-N 329.404 1.062 0 40 EDAB NC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1Br 44556207 AWWYUDWYAFXOSM-JTQLQIEISA-N 333.251 1.951 0 40 EDAB Cc1nc([C@@H](C)NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)no1 89718094 JGXUMBLJTZEHJO-ABAIWWIYSA-N 348.378 1.768 0 40 EDAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1ccccc1OC(F)F 10114261 LLTHCWDVBQWYCT-SKDRFNHKSA-N 329.347 1.987 0 40 EDAB CC[C@@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244534 JHNSSDNNMPGJIE-CQSZACIVSA-N 341.477 1.831 0 40 EDAB COC(=O)[C@@H](C)CN(CC(=O)NC(=O)NC1CC1)Cc1ccccc1 58209672 GSWDJQPWCISZMA-ZDUSSCGKSA-N 347.415 1.286 0 40 EDAB O=C(NCCNC(=O)c1cccnc1S)c1ccc(F)cc1F 58230145 VCUOBGRGVSEOSA-UHFFFAOYSA-N 337.351 1.808 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 44969559 FCSBFUMPWAQZFO-NWDGAFQWSA-N 327.388 1.827 0 40 EDAB CN1CCO[C@@H](CNC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 58323377 SNBWJGDOAKDHIZ-HNNXBMFYSA-N 343.383 1.592 0 40 EDAB CCC1=C(C(=O)OC)[C@H](c2ccc(C(=O)OC)cc2)NC(=S)N1 9953130 SNLFZNLHEDWHQL-ZDUSSCGKSA-N 334.397 1.829 0 40 EDAB Cc1n[nH]c([C@H]2CN([C@@H](C)C(=O)N3CCc4ccccc43)CCO2)n1 76042764 UGRDVCOJJJLESW-BLLLJJGKSA-N 341.415 1.464 0 40 EDAB O=C(O)CS[C@H]1CC(=O)N(c2ccccc2Br)C1=O 100856089 YSSWZEWUJORZSK-VIFPVBQESA-N 344.186 1.899 0 40 EDAB Cc1nn(CCC(=O)N[C@H](C)CN2CCOCC2)c(C)c1Cl 22241433 SATPLSHZPLBORP-LLVKDONJSA-N 328.844 1.380 0 40 EDAB COc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)nc2)cc1 28958616 KEHYKJVDOQYMFG-UHFFFAOYSA-N 343.383 1.944 0 40 EDAB COCCOc1ccc(S(=O)(=O)NC[C@@H]2CCOC2)cc1C 45743137 VSMUOZTWYDBFNE-ZDUSSCGKSA-N 329.418 1.335 0 40 EDAB CN(CC1CCCCC1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 29369313 HPNHBOVWLYTXGJ-UHFFFAOYSA-N 344.415 1.285 0 40 EDAB C[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccccn1 29442233 WAWDBASFLMFQAN-BLLLJJGKSA-N 337.383 1.379 0 40 EDAB CC(C)CN1C[C@@H](C(=O)NCCNC(=O)c2cccs2)CC1=O 46202518 OOHVEQALDIYDGP-LBPRGKRZSA-N 337.445 1.099 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCc1cccnc1-n1ccnc1 29914902 HXLWWGRPXJSJOA-UHFFFAOYSA-N 335.367 1.314 0 40 EDAB Cc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1C 2624450 WYMANMXCICQKNW-UHFFFAOYSA-N 332.425 1.923 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccnc(C)n2)c1 48286005 JBVHHQBOLHNWSA-UHFFFAOYSA-N 348.428 1.110 0 40 EDAB C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(F)cc1 12761879 MMAACOSAVSLGAT-JTQLQIEISA-N 329.335 1.147 0 40 EDAB CN(C)c1nc(N)nc(CSc2nnc(-c3ccccc3)n2C)n1 12722632 ANXUBADINHLYPU-UHFFFAOYSA-N 342.432 1.608 0 40 EDAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CCCC3)[C@@H]4C2=O)no1 101444647 IFVLHOGIVFTUQH-DRRHNWJESA-N 343.383 1.328 0 40 EDAB CCN1CCN([C@H](C)CNC(=O)Nc2ccc(C(=O)OC)cc2)CC1 48332747 TVQMTBWITXABLK-CQSZACIVSA-N 348.447 1.621 0 40 EDAB O=C(NCc1ccccc1N1CCOCC1)N1CCC[C@@H](CO)C1 62563384 KUHNKZUSJYJXHX-OAHLLOKOSA-N 333.432 1.437 0 40 EDAB O=C(O)Cn1cc(NS(=O)(=O)c2cccc(Cl)c2F)cn1 38030481 ZOIZTKVXMKHSPL-UHFFFAOYSA-N 333.728 1.561 0 40 EDAB O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 28325355 JRFYYOFYEIAQSN-CYBMUJFWSA-N 328.821 1.772 0 40 EDAB CC(=O)N[C@@H](C)C(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 12925608 BRSNJJLBHQVKBF-VIFPVBQESA-N 345.321 1.076 0 40 EDAB CC(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)NC[C@H]1CCCO1 9375987 CJLZHIJSRTVIGT-GXTWGEPZSA-N 344.415 1.529 0 40 EDAB C[C@@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)N1CCNC1=O 9363845 RRFWZCAPODDSBF-MRVPVSSYSA-N 330.373 1.243 0 40 EDAB COc1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCCC2)cn1 65452461 POTOEJOQAFIAJR-HIFRSBDPSA-N 334.420 1.713 0 40 EDAB CC(C)(C)NC(=O)CN1CCCN(Cc2nnsc2Cl)CC1 65456888 BTJNUTGPXCMBGQ-UHFFFAOYSA-N 345.900 1.614 0 40 EDAB CN(C(=O)COc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 14083181 ZKKVBHPKUQQEEZ-SNVBAGLBSA-N 335.784 1.503 0 40 EDAB Cc1nc(S(=O)(=O)NCC(=O)N(C)CC2CCCCC2)cn1C 65586166 XFWMMBLPKWHQAG-UHFFFAOYSA-N 342.465 1.046 0 40 EDAB O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)N1CCOCC1 5399813 WVHHUFLYVAIUAC-UHFFFAOYSA-N 349.390 1.922 0 40 EDAB Cc1ccc(OCCN(C)C(=O)c2cnc3n(c2=O)CCS3)cc1 14140503 XQSOHBWKEAZXFT-UHFFFAOYSA-N 345.424 1.808 0 40 EDAB CC[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 65611620 VRAYESXHASCNGI-CYBMUJFWSA-N 342.465 1.188 0 40 EDAB C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCN(c2cccnc2)C1 65627105 NQZKXEGCRUHXOJ-QWHCGFSZSA-N 344.440 1.657 0 40 EDAB O=C(COc1cccc(-n2cnnn2)c1)N1CCc2sccc2C1 14342202 VYHPNRSWDXYIEU-UHFFFAOYSA-N 341.396 1.688 0 40 EDAB C[C@H]1C[C@H]1C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 5701496 MLJOSVJLPDIQSN-SWLSCSKDSA-N 339.413 1.407 0 40 EDAB Cc1cc(C)cc(OCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 6972395 PHXOQKMIDPXYFA-UHFFFAOYSA-N 328.372 1.130 0 40 EDAB C[C@H](C(=O)NC1CCCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 15302869 HFBVWJDKTVUQKR-GDBMZVCRSA-N 337.464 1.147 0 40 EDAB CCCCN(C)C(=O)CN1CCC2(CC1)NC(c1ccccn1)=NO2 67317426 UVIIDDRNWMWIQU-UHFFFAOYSA-N 345.447 1.414 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@H]2CCc3nc(C)cn3C2)c1C 90168823 CCVIOEHUZXDOQT-ZDUSSCGKSA-N 337.449 1.318 0 40 EDAB COc1cc2c(cc1CN1CCO[C@@H](CCNC(C)=O)C1)OCO2 67714776 BYYYVIJQBAZLQP-AWEZNQCLSA-N 336.388 1.151 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)NCc2ccccc2Cl)C[C@H]1C 71864225 KRBSFJLOSAURIM-ZIAGYGMSSA-N 339.867 1.343 0 40 EDAB C[C@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)C(N)=O 71813356 ZFCBCJRZXYDASU-JTQLQIEISA-N 328.397 1.595 0 40 EDAB CCCN1CCCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 71853895 UMTVGOQRIQHWFN-UHFFFAOYSA-N 342.443 1.800 0 40 EDAB O=C(CCC1CCCC1)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 71921223 OYTSJFGMDLSMAU-MRXNPFEDSA-N 342.505 1.725 0 40 EDAB COc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H]2C=C[C@H](CO)C2)CC1=O 81766459 XCFBPFCQGKRJTA-RRFJBIMHSA-N 344.411 1.410 0 40 EDAB O=C(CN1CCO[C@@H](Cn2cccn2)C1)N1CCc2ccccc2C1 69451552 ZSOVTELGQLAZEX-GOSISDBHSA-N 340.427 1.169 0 40 EDAB Cc1ccc(C)n1-c1c(C(=O)NCCc2nccn2C)cnn1C 69416188 UXNKSZWNMUUCOQ-UHFFFAOYSA-N 326.404 1.534 0 40 EDAB CCc1nc(NC(=O)CN2CCC[C@H]2Cn2cncn2)sc1C 69484846 MMWLGARUZDOPBA-LBPRGKRZSA-N 334.449 1.709 0 40 EDAB O=C(c1ccc(N2CCOCC2)nc1)N1CCC[C@H](n2cccn2)C1 69420665 QGRNVGLNOYDWGS-INIZCTEOSA-N 341.415 1.592 0 40 EDAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1 17283155 JYRPFGZPPMBJRL-OAGGEKHMSA-N 347.459 1.856 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2nnnn2-c2ccccc2)n1 69513801 GUBRTZTWMPROGR-INIZCTEOSA-N 338.419 1.535 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N(CCN(C)C)Cc2ccccn2)C1 69627948 XFFFXVIUKOVHTL-OAHLLOKOSA-N 340.493 1.422 0 40 EDAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cccc(OCC(N)=O)c2)C1 69778766 GOBORKPEMAPDPO-OAHLLOKOSA-N 342.399 1.533 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1 69700923 HTDZLUJRCDXNNW-HNNXBMFYSA-N 337.370 1.519 0 40 EDAB Cn1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)C(=O)NC3=O)c1 69702006 FLHHJEJIKOXXET-UHFFFAOYSA-N 347.334 1.618 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)C[C@@H]1N(C)C 89948369 SASCTDYUALFMFY-OAGGEKHMSA-N 331.464 1.492 0 40 EDAB Cc1ncc(CNCC(=O)NCC(F)(F)F)n1-c1ccccc1 84015905 FEKMVWGEBPINBT-UHFFFAOYSA-N 326.322 1.949 0 40 EDAB COCc1ccccc1C(=O)N1CCCN(Cc2nccn2C)CC1 69892586 HLQIZTMICVMOFR-UHFFFAOYSA-N 342.443 1.915 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cn(C)nc2C2CCCCC2)CC1 69978108 ISCFCGLPZKARAU-AWEZNQCLSA-N 334.464 1.606 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(C)c(OC)c(C)c2)C1 95999501 QHFOQONXDUONMX-OAHLLOKOSA-N 326.462 1.826 0 40 EDAB Cn1nc2n(c1=O)CCN(Cc1ccc(Oc3ccccc3)o1)C2 97057405 KHFSUQNZACZFBJ-UHFFFAOYSA-N 326.356 1.983 0 40 EDAB C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 8987513 CQZNESIHWXTPSF-SCZZXKLOSA-N 334.800 1.583 0 40 EDAB CCc1cc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)[nH]n1 72294762 GHJITDGKBRMOMK-KRWDZBQOSA-N 328.416 1.489 0 40 EDAB CCCn1nc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)ccc1=O 72277356 OAAJCWAZEGEPFR-AWEZNQCLSA-N 329.356 1.599 0 40 EDAB C[C@H](O)[C@@H]1CCN(C(=O)NCCc2ccc(Br)o2)C1 97108047 JFKFJJFUPLIPML-VHSXEESVSA-N 331.210 1.997 0 40 EDAB O=S1(=O)CC[C@H](N2CCN([C@@H]3CCc4c(F)cccc43)CC2)C1 95992425 LQYKECMLVYFGPK-SUMWQHHRSA-N 338.448 1.618 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1C 72621721 SGLJASLDBULCAI-CVEARBPZSA-N 341.473 1.470 0 40 EDAB CCc1n[nH]c(S(=O)(=O)CC(=O)N[C@@H]2CCCc3ccccc32)n1 86170574 PWFRDGIMDATZFQ-CYBMUJFWSA-N 348.428 1.335 0 40 EDAB CCS(=O)(=O)Nc1ccc(Nc2cc(C)nc3ncnn23)cc1 75572669 FFTPIPRLPSZDBV-UHFFFAOYSA-N 332.389 1.938 0 40 EDAB O=C(NC[C@@H](O)c1ccc(Cl)s1)c1ccnc(-n2cncn2)c1 75266886 BOYOSHWGECLYHL-SNVBAGLBSA-N 349.803 1.841 0 40 EDAB Cn1c(=O)c2sccc2n2c(=O)n(CCOc3ccccc3)nc12 64946053 IOUYDCVTXPCMAD-UHFFFAOYSA-N 342.380 1.488 0 40 EDAB COC[C@H](C)NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408706181 WSLNBOUTCLVQQF-LBPRGKRZSA-N 346.424 1.523 0 40 EDAB CN(C)C(=O)c1nnn(-c2ccc(NC(=O)c3cccs3)cc2)n1 71000219 UHGQJZVEJFJASQ-UHFFFAOYSA-N 342.384 1.678 0 40 EDAB O=C(CSc1nncn1CCc1cccs1)N1CCOCC1 73505997 IWNUYEPQNIRLAC-UHFFFAOYSA-N 338.458 1.533 0 40 EDAB COCCN1C[C@H](C(=O)NC2(c3cccc(Cl)c3)CC2)CC1=O 76934417 OPEAPEJHLJHVKH-GFCCVEGCSA-N 336.819 1.940 0 40 EDAB CC1CCN(CC(=O)NS(=O)(=O)CCCC(F)(F)F)CC1 126131129 WRICVFXAEJZNQJ-UHFFFAOYSA-N 330.372 1.507 0 40 EDAB C[C@H]1CN=C(N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)S1 73119447 ASBSWTGINIBJHI-NSHDSACASA-N 349.485 1.574 0 40 EDAB CC1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)CC1 72241783 JVIWABBHHMQMQV-IAGOWNOFSA-N 334.391 1.983 0 40 EDAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(-n2cc(Cl)cn2)nc1 72401704 DVHDZWKWCYNWFC-UHFFFAOYSA-N 347.762 1.398 0 40 EDAB Cc1nn(C)c(C)c1-c1nn2c(-c3cnn(C)c3C)nnc2s1 79473513 DATCJUKWRXRQDZ-UHFFFAOYSA-N 328.405 1.912 0 40 EDAB CCOC[C@@]1(C(N)=S)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)CC 218030774 GUFHFHYWKSVMPA-VNHYZAJKSA-N 327.471 1.896 0 40 EDAB Cc1ccnn1CCC(=O)N1CCC(O)(c2cccnc2F)CC1 72340023 BFFQEYMXRJGCNR-UHFFFAOYSA-N 332.379 1.626 0 40 EDAB CCc1cc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)n(C)n1 528588459 NDSCVTDICORNKM-UHFFFAOYSA-N 342.399 1.707 0 40 EDAB Cc1cccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)c1 224175934 UOZNASLYPGCYSF-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)c3cccc4nc(O)[nH]c34)C2)n[nH]1 569257535 YUDWNMRWPKVUCD-JTQLQIEISA-N 326.360 1.715 0 40 EDAB CC[C@@H]1C[C@H]1NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 225684914 GBSTTYIXXNUFKI-RDDDGLTNSA-N 347.234 1.625 0 40 EDAB Cn1c(CN2CCC([C@@H](O)c3ccccc3)CC2)cc(=O)n(C)c1=O 40046914 MALNLMYTMVZQQU-SFHVURJKSA-N 343.427 1.030 0 40 EDAB COc1ccc(C(=O)N(C)CC2CC2)cc1S(=O)(=O)N(C)C 44973285 NAVATUCXYQZFMT-UHFFFAOYSA-N 326.418 1.428 0 40 EDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2ccccc2OC)c1=O 222670683 HDPJUTYJDBOVEN-UHFFFAOYSA-N 347.371 1.074 0 40 EDAB Cc1cc(C[C@H](C)NC(=O)N(C)CCN2C[C@H](C)O[C@H](C)C2)n[nH]1 195037454 YDFIXWVWZOQFMW-AEGPPILISA-N 337.468 1.400 0 40 EDAB CN1CCO[C@H]([C@@H](NC(=O)c2cc[nH]n2)c2ccc(Cl)cc2)C1 195547653 GKJSTSAVWZSRTM-GJZGRUSLSA-N 334.807 1.865 0 40 EDAB Cc1cccc(CN2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)n1 96184547 ISMDPZCGSHLTNB-SJORKVTESA-N 325.416 1.613 0 40 EDAB CC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3ccccn3)C[C@@H]2C1 96251261 WEKNVFIQWDJLGU-YJBOKZPZSA-N 330.432 1.235 0 40 EDAB O=C(NCCN1Cc2cc(F)ccc2OCC1=O)c1ccc(O)nc1 238868785 MJXRUJSRMRRDPW-UHFFFAOYSA-N 345.330 1.077 0 40 EDAB C[C@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1CCc2ccc(F)cc21 96417736 LVVWXNUMKGPISI-IINYFYTJSA-N 326.393 1.642 0 40 EDAB CC(C)C(=O)N1CCN(Cc2ccco2)C[C@]2(CC(=O)N(C)C2)C1 96036046 DBWBEOKRRFLCES-GOSISDBHSA-N 333.432 1.428 0 40 EDAB COCCN1C[C@@H]2[C@@H](OC)CCN(C(=O)Cc3ccccc3)[C@@H]2C1 96109423 AMMOPNSAFUIUHG-KSZLIROESA-N 332.444 1.423 0 40 EDAB COCCN1CC2(CCN(Cc3ccncc3)CC2)[C@@H](COC)C1=O 96207496 IOTDQPXCQANSFZ-KRWDZBQOSA-N 347.459 1.415 0 40 EDAB COc1ccc(N2CCC[C@H](C(=O)NCC3CCOCC3)C2)nn1 96232098 CEWHGYNBWDLUFL-AWEZNQCLSA-N 334.420 1.244 0 40 EDAB Cc1cn2nc(N[C@H]3CCN(C(=O)C[C@@H]4CCCCO4)C3)ccc2n1 578921324 BNDUPZKNNVNTHW-GJZGRUSLSA-N 343.431 2.010 0 40 EDAB CCCS(=O)(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccs2)C1 96227706 HKQQMKWUSRWQAQ-HIFRSBDPSA-N 342.486 1.816 0 40 EDAB Cn1cccc1C(=O)N1CCC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96073890 UHDQAMSYIOSOHH-KSSFIOAISA-N 341.415 1.691 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCn2c(Cn3cccn3)cnc2C1 96201105 WPLKXFDIGDJGBY-UHFFFAOYSA-N 339.374 1.852 0 40 EDAB CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)Cc3ccsc3)C2)O1 96063341 UCZOLNZMKRZQIS-NVXWUHKLSA-N 338.473 1.629 0 40 EDAB CCO[C@@H]1CO[C@@]2(CCCN(S(=O)(=O)c3cccnc3)C2)C1 96107455 IFJXRAVFWIXXRS-ZFWWWQNUSA-N 326.418 1.430 0 40 EDAB Cc1cn2nc(N[C@H]3CCN(C(=O)N4CCSCC4)C3)ccc2n1 583651430 LMZFGDUKGGCRMC-ZDUSSCGKSA-N 346.460 1.693 0 40 EDAB Cc1ccc(C(=O)N2CCn3c(CN4CCN(C)CC4)cnc3C2)o1 96061803 RIZDOEKEPSQUME-UHFFFAOYSA-N 343.431 1.188 0 40 EDAB CN(CCCNC(=O)c1ccncc1F)C(=O)c1ccncc1F 96430830 DLJFXMORHJQFLH-UHFFFAOYSA-N 334.326 1.647 0 40 EDAB CN1CCCC[C@@H]1CN1CCN(C[C@@H](O)COC(C)(C)C)CC1 96407748 ZZJUPGCPVMTALJ-IAGOWNOFSA-N 327.513 1.264 0 40 EDAB C[C@@H]1CN(S(=O)(=O)NCCc2csc3ccccc23)CCO1 96427744 DSPCJMGWUDSCCW-GFCCVEGCSA-N 340.470 1.999 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](CO)Cc2cnn(C)c2)c1 585088028 HMTYTCCHBPERLQ-BBRMVZONSA-N 345.399 1.110 0 40 EDAB CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(OC(C)C)nc1 585115063 KUBJUOXTVSLDGZ-PWSUYJOCSA-N 334.463 1.260 0 40 EDAB CNc1cc([C@@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)ccn1 257344658 ZYEMOAVZXCBYLO-OAHLLOKOSA-N 341.415 1.395 0 40 EDAB C[C@@]12CN(CCS(C)(=O)=O)C[C@@]1(C)CN(Cc1ccccc1)C2 585133890 YZGWYHYLPVAQBY-ROUUACIJSA-N 336.501 1.875 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)s1 257262974 LNVNBMZDCIKUHG-MRXNPFEDSA-N 347.444 1.311 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1cccc(F)c1 257341458 ZKKICVSXJYIPDZ-QGZVFWFLSA-N 328.347 1.493 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 257263744 LRFTWEPKDNGCQA-CQSZACIVSA-N 329.356 1.703 0 40 EDAB CNC(=O)[C@H]1CN(C(=O)CCCc2ccc(F)cc2)CCN1C(C)C 257281173 ONYKERFNAUTZKO-QGZVFWFLSA-N 349.450 1.816 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC[C@@H]2c2ccnc(N(C)C)c2)CC1 257201363 AHIUNKWJCITDAS-QGZVFWFLSA-N 346.475 1.658 0 40 EDAB CN(C[C@]1(O)CCN(c2ccccn2)C1)C(=O)CC1(O)CCCCC1 257313926 UURRBHPKYHHDDU-LJQANCHMSA-N 347.459 1.567 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1cc(F)ccc1F 257243210 IFWSUKQBNZTMNP-BZUAXINKSA-N 340.370 1.309 0 40 EDAB CC1(C)CCCN(CCNC(=O)c2cncc(-n3ccnn3)c2)C1 252482929 DQISUXKHUAJXHF-UHFFFAOYSA-N 328.420 1.514 0 40 EDAB CCn1cc(S(=O)(=O)NC[C@H]2CCCC[C@H]2N2CCCC2)cn1 1615002017 VTJLARHRDFRKTL-GDBMZVCRSA-N 340.493 1.836 0 40 EDAB CC[C@](C)(OC)C(=O)N1CCC(N2CCC[C@H]2C(=O)OC)CC1 1615587120 WIKWLFLILONENB-YOEHRIQHSA-N 326.437 1.430 0 40 EDAB COc1cc([C@H](C)NC(=O)C2(C)COC2)ccc1S(C)(=O)=O 1615614430 GEZQEAXLJKOJLX-JTQLQIEISA-N 327.402 1.312 0 40 EDAB Cn1ncc(CNC(=O)c2cccc(C(=O)N3CCCCC3)c2)n1 1615612253 BOLMQDFDUBYAAQ-UHFFFAOYSA-N 327.388 1.371 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC(F)(F)C[C@]3(CCNC3=O)C2)cc1 585093250 LQWIZZPHZZQBAI-CQSZACIVSA-N 344.383 1.531 0 40 EDAB COCCNC(=O)[C@@H]1CN(Cc2cccs2)Cc2ncn(C)c21 585110924 ZNAAVXUVIKVABZ-CYBMUJFWSA-N 334.445 1.344 0 40 EDAB CO[C@]1(COc2ccc(F)cc2)CCN(C(=O)C2CCNCC2)C1 585275821 FTVKJYCQPAQKAP-GOSISDBHSA-N 336.407 1.822 0 40 EDAB O=C(c1cc([C@@H]2CCCCN2c2ncccn2)n[nH]1)N1CCOCC1 72380487 PEDFGSHZEJJRKC-HNNXBMFYSA-N 342.403 1.404 0 40 EDAB C[C@H]1CN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)C[C@H](C)O1 44872021 ONEGTIPQEDMSQL-JJGIJDNGSA-N 326.400 1.975 0 40 EDAB O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(F)nc1 73583199 YYXJNUJJKHUAKK-KRWDZBQOSA-N 343.402 1.894 0 40 EDAB C[C@@H]1C[C@@H](C)CN(CCCCNS(=O)(=O)c2cnn(C)c2)C1 40539647 WJVDHJIBMRRMGU-ZIAGYGMSSA-N 328.482 1.457 0 40 EDAB O=S(=O)(NCc1cccnc1OC1CCCC1)N1CCOCC1 40520572 KFUNCPGHQREDRP-UHFFFAOYSA-N 341.433 1.070 0 40 EDAB C[C@H](COc1cccc(F)c1)NC(=O)N1CCC2(CC1)CNC(=O)C2 73810891 LFELSKAMRJPCFS-CYBMUJFWSA-N 349.406 1.905 0 40 EDAB COCCOc1ncccc1C(=O)NCc1c(C)cc(C)[nH]c1=O 75122259 ZJGNEOZRIZRVDF-UHFFFAOYSA-N 331.372 1.342 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)N3CCNC(=O)CC3)c2O1 75128143 IRCIVOZYVORBSG-UHFFFAOYSA-N 347.415 1.310 0 40 EDAB O=C(CN1CC(c2nc(-c3ccco3)no2)C1)NC[C@@H]1CCCO1 96024284 BORULFJDAILIDD-LBPRGKRZSA-N 332.360 1.024 0 40 EDAB Fc1cnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)nc1 758954300 KOGVGRZTXGXZBD-UHFFFAOYSA-N 329.383 1.333 0 40 EDAB CCCS(=O)(=O)CCn1cc(I)cn1 96485285 UAODJRGAJCVMJH-UHFFFAOYSA-N 328.175 1.313 0 40 EDAB COc1cc(/C=C2\NC(=O)N(C)C2=O)cc(Br)c1OC 8091471 MRHMAZMCCWODOW-UITAMQMPSA-N 341.161 1.989 0 40 EDAB O=C(O)[C@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccccc1 5604102 CDWIBRCQGDHHBB-RDJZCZTQSA-N 331.368 1.417 0 40 EDAB CCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(OC)c3)c2n1 5271184 HJTGYABQPWNBHC-UHFFFAOYSA-N 327.344 1.169 0 40 EDAB CN(C)c1ccc(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)cc1 12115812 LPBJIBGYJBSWGE-UHFFFAOYSA-N 336.399 1.905 0 40 EDAB COc1ccc(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2cccnc2)cc1 12147985 SDHCAQFITNMFNQ-DOTOQJQBSA-N 325.368 1.840 0 40 EDAB CC[C@H](CN1CCCCC1)NC(=O)CC1=NNC(=O)[C@@H]2C=CC=C[C@H]12 12362929 UAKPYRQPXYEEHT-OWCLPIDISA-N 344.459 1.601 0 40 EDAB O=C1O[C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)Cc2ccccc21 12890645 LPPQHSVJEPBFHA-CXAGYDPISA-N 339.347 1.724 0 40 EDAB Cc1ccc(N([C@@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)cc1C 13674397 JWWFSPCRTRRXKH-AWEZNQCLSA-N 341.477 1.136 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)C1 16740152 ZYYQVARWAOQZDL-OCBCSQNSSA-N 337.416 1.910 0 40 EDAB CCOC(=O)CC[C@@H](C(=O)OCC)c1nc2ccccc2[nH]c1=O 17060332 XUIFHSKWMXEJFV-LLVKDONJSA-N 332.356 1.913 0 40 EDAB COCCc1nnc(NC(=O)c2cc(-c3cn(C)nc3C)no2)s1 19584121 GCLWDYIJWUEQJE-UHFFFAOYSA-N 348.388 1.676 0 40 EDAB CCN1C(=O)NC2(CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)C1=O 17288320 CCXUESAGMHTREU-ZDUSSCGKSA-N 345.399 1.387 0 40 EDAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CCCC1 17178591 COAXAXGHDKQYTG-QGZVFWFLSA-N 345.443 1.235 0 40 EDAB Cn1cccc(C(=O)NCc2nc(C3CCSCC3)no2)c1=O 575606695 LERYUEHLTXHFEK-UHFFFAOYSA-N 334.401 1.309 0 40 EDAB CC(C)n1c([C@H](C)NC(=O)Cn2cnc(N)n2)nc2ccccc21 585089327 FFKVOFBZKBUKOS-NSHDSACASA-N 327.392 1.668 0 40 EDAB Cc1ccccc1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 5867827 ATJJBTJIOKTFFU-UHFFFAOYSA-N 348.380 1.438 0 40 EDAB CN(C(=O)CCC(F)(F)F)C1CN(c2cc3c(nn2)CCC3)C1 1888833998 FJHHBHYWDZFQJO-UHFFFAOYSA-N 328.338 1.955 0 40 EDAB COc1cnc(OC2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)nc1 1889139219 XYYMUYGVTWSVSB-UHFFFAOYSA-N 343.387 1.769 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccnc1-n1cncn1 22978549 LWOMEPUIOKVOFG-GXTWGEPZSA-N 343.387 1.514 0 40 EDAB CC(C)(CNC(=O)c1ccc(O)nn1)N1CCc2ccccc2C1 25459448 WGAVILDKVFAGHP-UHFFFAOYSA-N 326.400 1.749 0 40 EDAB Cc1ccc(CC(=O)N2CCO[C@]3(CCCCN(C)C3=O)C2)cn1 2037985652 RAQQJIHFVRZZNZ-GOSISDBHSA-N 331.416 1.172 0 40 EDAB Cn1ccc(N2CCC3(CCN(C(=O)C4(F)CCC4)CC3)C2=O)n1 1565553316 TXJIPTBENSPHIS-UHFFFAOYSA-N 334.395 1.658 0 40 EDAB O=S1(=O)CC[C@H](NC(=S)Nc2cccc(Br)c2)C1 4140252 FLMMXURRLCBHPV-JTQLQIEISA-N 349.275 1.923 0 40 EDAB Cn1ccnc(N2CCC(COc3ccc(C4CC4)nn3)CC2)c1=O 1775966338 YYBJBXXQFUTYFL-UHFFFAOYSA-N 341.415 1.743 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](Oc2ncccn2)C1 575609943 CENARDYYABQKNK-ZDUSSCGKSA-N 337.376 1.766 0 40 EDAB O=C(NCCn1c(O)nc2ncccc2c1=O)c1cc2ccccc2[nH]1 575610031 PSXBPHKUADOGKX-UHFFFAOYSA-N 349.350 1.408 0 40 EDAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccco1 585147748 WVHCMEFTYIXSKG-UHFFFAOYSA-N 347.396 1.743 0 40 EDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(Nc2cccnn2)C1 618256605 UXTBYGNUTUNLLK-NSHDSACASA-N 342.355 1.296 0 40 EDAB CC[C@@H]1CCCCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 40069498 UAIPSKUTXJGZIK-LLVKDONJSA-N 330.388 1.037 0 40 EDAB CN1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC(C)(C)OC4)CC1 40285744 GTEIEUROEXHJQG-UHFFFAOYSA-N 348.472 1.583 0 40 EDAB CC(=O)N[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1)C1CCCC1 40489229 QCFKOXKWKNHWTQ-QGZVFWFLSA-N 346.431 1.552 0 40 EDAB COc1ccc(COC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 100702646 ZYQUYJRJWOLSBU-BHYGNILZSA-N 345.395 1.524 0 40 EDAB CCCn1nc(C(=O)NCCCc2nc3ccccc3[nH]2)ccc1=O 21528235 NGCBDJYWKOCLTH-UHFFFAOYSA-N 339.399 1.892 0 40 EDAB NC(=O)C1(CNC(=O)C2(c3cccc(Cl)c3)CC2)CCOCC1 52744315 ZRHCNUDMZPMQJO-UHFFFAOYSA-N 336.819 1.770 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccnn1C1CCCC1 102893715 YQSHWOYAQNBGMO-OKILXGFUSA-N 342.399 1.888 0 40 EDAB CN1CCN(C(=O)CN(C)c2cnccn2)[C@H](c2ccccc2)C1 41777462 RDCIUUMTCQHUHL-INIZCTEOSA-N 325.416 1.428 0 40 EDAB CS(=O)(=O)c1cccc(OCC(=O)N2CCO[C@@H]3CCC[C@@H]32)c1 53386141 LFAHERHREMOBHU-LSDHHAIUSA-N 339.413 1.249 0 40 EDAB CC(=O)NCCCCCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 54016301 HFPXFNMFVRYRCI-OAHLLOKOSA-N 333.436 1.258 0 40 EDAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 241046 QSASTQKVASCGEZ-UHFFFAOYSA-N 331.349 1.688 0 40 EDAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)C1CC1 425809 XVUQLNLQYBFODA-UHFFFAOYSA-N 335.360 1.788 0 40 EDAB COc1ccc(COC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 24095520 ZYQUYJRJWOLSBU-PVAVHDDUSA-N 345.395 1.524 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)NCCCn1ccnc1 54852387 ISBAZFMUQDYUJV-UHFFFAOYSA-N 328.401 1.925 0 40 EDAB COc1ccc(CCN2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 24243737 NQVYGPJWTRINBX-OAHLLOKOSA-N 331.460 1.522 0 40 EDAB CC(C)(C)c1cc(NC(=O)CN2CCn3c(nnc3C3CC3)C2)on1 78788121 OVCQVWUWRXWHOD-UHFFFAOYSA-N 344.419 1.895 0 40 EDAB COC(=O)c1cc(-c2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 1425657 MNDJNVMLYLQJHI-UHFFFAOYSA-N 343.314 1.225 0 40 EDAB COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 106183821 JSACHMUIUCFYPT-VHSXEESVSA-N 347.820 1.925 0 40 EDAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)NC[C@H]1CCCO1)C2=O 24984250 NWEBTWCIPOPFNO-CYBMUJFWSA-N 330.384 1.666 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nc2ccccc2[nH]1 12546506 LBDYWEUFRQNVGZ-UHFFFAOYSA-N 335.323 1.205 0 40 EDAB CN1CCN(C)[C@@H](CNC(=O)NCCCc2ccc(Cl)cc2)C1 106850874 QYQYXYILQNERLO-INIZCTEOSA-N 338.883 1.818 0 40 EDAB Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Br)CC(=O)N2 4944763 LDBJHMQKHQRDCG-SSDOTTSWSA-N 335.161 1.589 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)CCc1nc(-c2ccccn2)no1 25301857 DDGNAOVGTKFGKH-CYBMUJFWSA-N 343.387 1.191 0 40 EDAB CO[C@@H](CNC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 56471671 BDHFKRQIXAPSFY-KRWDZBQOSA-N 326.396 1.849 0 40 EDAB CS(=O)(=O)NCCN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 108126340 XBOBPLOWVFSHJN-LSDHHAIUSA-N 330.425 1.263 0 40 EDAB O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCC[C@H]1c1ccccc1 108483229 XFJMYXRVCOPXNS-ZNMIVQPWSA-N 329.400 1.817 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)Cn2ccc(C(F)(F)F)n2)c1 27398859 HQEMHLUERSCDGK-UHFFFAOYSA-N 348.306 1.188 0 40 EDAB Cc1c(C(=O)NCCCS(N)(=O)=O)oc2ccc(Cl)cc12 58047524 BPOHKHGJOKXEPL-UHFFFAOYSA-N 330.793 1.803 0 40 EDAB COc1ccc([C@@H](CNC(=O)[C@@H]2CCCO2)N2CCOCC2)cc1 36078217 MCMHTFRQHDJZLZ-SJORKVTESA-N 334.416 1.364 0 40 EDAB Cc1cc(C)n(-c2ccc(CC(=O)N3CCC[C@@H](C(N)=O)C3)cc2)n1 44939218 KHZCBCSOBFCFSH-MRXNPFEDSA-N 340.427 1.756 0 40 EDAB CC(C)N(CCCNC(=O)N[C@H](C)c1ccncc1)S(C)(=O)=O 44950110 VUQAASDOCONVHP-CYBMUJFWSA-N 342.465 1.502 0 40 EDAB C[C@@H](CNC(=O)NCc1nnc2n1CCCCC2)N1CCC[C@@H](C)C1 44966678 GKTSJVYVFWOCTH-CABCVRRESA-N 348.495 1.924 0 40 EDAB C[C@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1nnc2ccccn12 58357153 QGPFTCTZODAYLO-LBPRGKRZSA-N 333.355 1.801 0 40 EDAB NS(=O)(=O)c1cc(C(=O)N(C[C@@H]2CCOC2)C2CC2)cs1 58425961 ZRWZWMNMXSLKJJ-VIFPVBQESA-N 330.431 1.037 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CCO1 11497881 HOMSWQPUCODHII-VXGBXAGGSA-N 338.429 1.258 0 40 EDAB CCc1noc(CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)n1 29142474 SNCZVRDIQVJVJP-HNNXBMFYSA-N 336.298 1.877 0 40 EDAB O=C(c1cncc(Br)c1)N1CCN(c2cnccn2)CC1 11544116 DOSMMAZATUTWIY-UHFFFAOYSA-N 348.204 1.597 0 40 EDAB O=C(Cc1ccccc1)NCCC(=O)N1CCO[C@@H]2CCCC[C@H]21 46489927 NHALSSPUKREPAM-IAGOWNOFSA-N 330.428 1.905 0 40 EDAB CN(C)CCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 57280262 JAJCGMBMUPMOJL-UHFFFAOYSA-N 339.461 1.171 0 40 EDAB COCCn1cc(C(=O)NCCc2ccccc2OC)ccc1=O 47205797 HHJQIVDEBYAJQR-UHFFFAOYSA-N 330.384 1.476 0 40 EDAB Cc1ccc(-c2csc(NC(=O)C[C@@H]3NC(=O)NC3=O)n2)cc1 97597455 RYDYPTLUKIISFY-JTQLQIEISA-N 330.369 1.655 0 40 EDAB Cc1cccc(N2CCN(CCNC(=O)c3cc(C)n[nH]3)CC2)c1 48299648 DVMKLQCXYKUZKR-UHFFFAOYSA-N 327.432 1.579 0 40 EDAB CN(C)[C@@H]1CCCN(C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)C1 110710093 PHOACNNULHLSOT-WBVHZDCISA-N 340.489 1.324 0 40 EDAB O=C([C@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]1O2)N1CCOCC1 107264272 RAAUXIRFUNGSEH-OKZBNKHCSA-N 330.428 1.177 0 40 EDAB COC(=O)Cc1ccc(OCC(=O)Nc2sccc2C(N)=O)cc1 12804313 FXKWKJQGAYOLBT-UHFFFAOYSA-N 348.380 1.580 0 40 EDAB COCCN1C(=O)CO[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]21 67897279 AAPQPAWMXRDPMT-CABCVRRESA-N 326.343 1.023 0 40 EDAB biogenic,in-vitro O=C(NCCc1ccco1)c1ccc(N2CCCS2(=O)=O)cc1 13362878 QWDZNCPBZRVLHS-UHFFFAOYSA-N 334.397 1.792 0 40 EDAB Cc1cc(O)c2c(C)c(CC(=O)N3CCC[C@H]3C(=O)O)c(=O)oc2c1 4074100 MMKHNHXFSFVBPY-LBPRGKRZSA-N 345.351 1.734 0 40 EDAB biogenic COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1OC 4064165 NSLZZAZISRNRBN-JVPBZIDWSA-N 348.443 1.857 0 40 EDAB biogenic CC1(C)Cc2nc3ncn(CCN4CCCC4)c(=O)c3cc2CO1 13693162 UYUOFJPLFYVWTL-UHFFFAOYSA-N 328.416 1.739 0 40 EDAB CC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 6060737 CTJUSKBRPJIVRV-UHFFFAOYSA-N 344.344 1.810 0 40 EDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1cnn(C)c1 65490990 SKHGVWVVYJECRW-KRWDZBQOSA-N 326.400 1.052 0 40 EDAB COCCn1cc(C(=O)NC2CCN(CC(C)C)CC2)ccc1=O 65542428 XDGGINQQKVOVOD-UHFFFAOYSA-N 335.448 1.345 0 40 EDAB CCn1c(=O)cc(Cl)n(CC(=O)NCc2ccccc2F)c1=O 95464691 YLAFPWIZEHMVAP-UHFFFAOYSA-N 339.754 1.139 0 40 EDAB CCc1c(C(=O)Nc2cnn(CC(=O)N(C)C)c2)[nH]c(C)c1C(C)=O 66383264 INZHMGSPKQWSIM-UHFFFAOYSA-N 345.403 1.625 0 40 EDAB O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1Cc1noc(C2CC2)n1 67096496 CWQIPQKIRNELMY-SFHVURJKSA-N 338.367 1.927 0 40 EDAB CCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl 6947527 JLTUPZYNQNCFRH-UHFFFAOYSA-N 325.217 1.798 0 40 EDAB NC(=O)CN1CCC(N[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 95419804 LAEWREDAGNHXOS-MRXNPFEDSA-N 329.444 1.972 0 40 EDAB CC(=O)c1ccc(OCC(=O)OCC(=O)NCc2ccco2)cc1 7245707 VMKIPCVYCVUSGI-UHFFFAOYSA-N 331.324 1.721 0 40 EDAB CC(C)(C)NC(=O)c1ccccc1NC(=O)N1CCOC[C@@H]1CCO 95460947 UNXJDYLSGJDHDY-ZDUSSCGKSA-N 349.431 1.830 0 40 EDAB CN(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1C(F)(F)F 7702614 SXZKAGZBQNZCNV-UHFFFAOYSA-N 336.335 1.605 0 40 EDAB Cc1ccc(CNC(=O)COC(=O)CNC(=O)c2cccs2)cc1 16694783 NLFZUVCXWBTLQO-UHFFFAOYSA-N 346.408 1.646 0 40 EDAB C[C@@H](CNC(=O)[C@@H](C)Oc1cccc(Cl)c1)N1CCN(C)CC1 71867475 VCCCWFAIJNWWQT-UONOGXRCSA-N 339.867 1.859 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)c1 71869786 XKTWQBPSKPJPRY-HOTGVXAUSA-N 330.432 1.441 0 40 EDAB Cc1ccc([C@H](C)NC(=O)NCCCN2CCC[C@H](C(N)=O)C2)o1 71856636 AIAXVQBNPCBGLQ-KBPBESRZSA-N 336.436 1.536 0 40 EDAB C[C@@H](NC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@H]1CCCO1 69459415 NTGSOQWSERCFOC-IJLUTSLNSA-N 330.450 1.980 0 40 EDAB NC(=O)[C@@H](CNC(=O)Cc1ccccc1F)Cc1ccc(F)cc1 71826749 LOGXDYVMMKIZQU-CQSZACIVSA-N 332.350 1.968 0 40 EDAB COC(=O)c1ccc(N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)nn1 69581504 YMPVYMHEZIHTEA-VIFPVBQESA-N 328.328 1.767 0 40 EDAB CN1C[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1=O 69629307 RHGKRPNBXPFCMA-HOCLYGCPSA-N 333.407 1.385 0 40 EDAB CCn1ccnc1CN1CCN(CCC(=O)Nc2cc(C)on2)CC1 69920314 ZUOSYNBGUJKOFL-UHFFFAOYSA-N 346.435 1.346 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2ccc(N(C)C)nn2)n1 69928707 HUVDMUUFAFHOEA-AWEZNQCLSA-N 328.420 1.661 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CCC(=O)N2)c(C)c1 69977742 FNIPVXYPOVVOAJ-KGLIPLIRSA-N 347.440 1.422 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)CCOCC(F)(F)F)CC1 69924090 ANTSWKJMNBJIDT-LBPRGKRZSA-N 340.386 1.507 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCC[C@@H](C2OCCO2)C1 71184972 BLPCBKJGPPQXRH-OAHLLOKOSA-N 337.441 1.949 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cccn3C)C2=O)cc1 9870027 ISJBUQYHZDNVQL-GOSISDBHSA-N 325.368 1.983 0 40 EDAB CC[C@H](C)NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408702094 BTOXQTMFGNJAAW-LBPRGKRZSA-N 328.434 1.372 0 40 EDAB CN1CC[C@@H](Nc2ccc3nnnn3n2)[C@@H]1c1ccc(F)c(F)c1 97031895 KUOXVKOLPLKGTG-DOMZBBRYSA-N 331.330 1.655 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)c3ncnc4[nH]ccc34)C2)no1 72276344 LLWJFVITPINWKS-GFCCVEGCSA-N 327.392 1.750 0 40 EDAB COc1c([C@H]2CCCN2CC(=O)Nc2cc(C)no2)c(C)nn1C 72253709 WELXBUDZHPJOAY-GFCCVEGCSA-N 333.392 1.809 0 40 EDAB O=c1cc(CN2CCO[C@@H](c3nccs3)C2)nc2ccccn12 97199711 QDDYKSOORRARGU-CYBMUJFWSA-N 328.397 1.725 0 40 EDAB NC(=O)CN1CCC(Nc2ccnc(Cc3ccccc3)n2)CC1 97144379 OOXQWBVLIFMKIE-UHFFFAOYSA-N 325.416 1.429 0 40 EDAB OCCn1ncc2c(NC[C@H]3COc4ccccc4C3)ncnc21 97199903 XOLQFTYJHCNJPT-LBPRGKRZSA-N 325.372 1.482 0 40 EDAB CCO[C@@H]1C[C@H](NC(=O)CNC(=O)Cc2cccc(F)c2)C1(C)C 75143489 PDCGITFZTFAGSF-LSDHHAIUSA-N 336.407 1.804 0 40 EDAB CN(Cc1cccn1C)C(=O)Nc1cnn(CCN2CCOCC2)c1 89756745 VUWBOFQCWUVSAA-UHFFFAOYSA-N 346.435 1.218 0 40 EDAB CCCn1nc2c(cc1=O)CN(CC(=O)N(C)c1nccs1)CC2 76064612 MVTADSKRBSJUHR-UHFFFAOYSA-N 347.444 1.131 0 40 EDAB CN(C)CCn1ccc(NC(=O)NCc2ccnc(N(C)C)c2)n1 76023343 RWWTTXSGFBKRNQ-UHFFFAOYSA-N 331.424 1.227 0 40 EDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@@H]1Cc2ccccc2O1 76247145 RMVPFAWRVDCAQB-LBPRGKRZSA-N 339.351 1.568 0 40 EDAB O=C1CO[C@H]2CN(Cc3ccncc3)C[C@H]2N1Cc1ccc(F)cc1 67897189 ATWVJXZTMYVASK-MSOLQXFVSA-N 341.386 1.833 0 40 EDAB biogenic,in-vitro O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@H]1C2 306125618 CVZXZEPLYIHNFI-OLZOCXBDSA-N 327.388 1.068 0 40 EDAB COCCN1CCC(NCc2c(C(C)C)nn(C)c2N(C)C)CC1 65478065 GAIVNNHSLCUYIY-UHFFFAOYSA-N 337.512 1.810 0 40 EDAB Cc1nc(CN2CCN([C@H]3CCCN(CC(C)(C)C)C3=O)CC2)n[nH]1 521393943 LXMGHQZIAWDEPY-HNNXBMFYSA-N 348.495 1.268 0 40 EDAB CCN1CCN(CCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 78394315 ISHQELDYRYTJFG-HNNXBMFYSA-N 347.459 1.663 0 40 EDAB CC(C)COc1cccc(CNC(=O)NC[C@H]2CN(C)CCN2C)c1 78925154 WXTTYQMURZNRAJ-KRWDZBQOSA-N 348.491 1.766 0 40 EDAB O=C(O)CCN(C(=O)c1ccc2c(c1)OCCO2)C1CCOCC1 558921621 GKRDZYIAXDJPBO-UHFFFAOYSA-N 335.356 1.554 0 40 EDAB COc1ccc([C@@H]2NNC(=O)[C@H]2NC(=O)c2ccc(C)cc2)cc1 214340964 OMVHALIIOIIPHO-HOTGVXAUSA-N 325.368 1.478 0 40 EDAB CC(=O)N1CCC[C@@](O)(CN2CCC(c3nccc(C)n3)CC2)CC1 72367439 AMKLRDNUEYEHPF-IBGZPJMESA-N 346.475 1.728 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70639911 WDBBONYTJCJYNO-LBPRGKRZSA-N 343.305 1.911 0 40 EDAB O=c1c2c(nc3sc(S)nn13)CCN(Cc1ccccc1)C2 35606396 PHXMLDYMEMGJRF-UHFFFAOYSA-N 330.438 1.998 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)C1 72237824 VBKFKECWAKNDDI-KBPBESRZSA-N 348.447 1.539 0 40 EDAB CCc1nnc(Nc2cc([C@@H]3CCCN3CC(N)=O)nc(C)n2)s1 72360962 HNUOSXBZELLMFC-NSHDSACASA-N 347.448 1.565 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)N1CCN[C@H](c2cccc(F)c2)C1 328665017 YYKKAAVFMMZTOW-DOMZBBRYSA-N 340.420 1.123 0 40 EDAB CCCCOc1ccc(C(=O)CN2C(=O)N[C@@]3(CCOC3)C2=O)cc1 225443461 YSTOFWZFCNUEQL-GOSISDBHSA-N 346.383 1.759 0 40 EDAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223625773 FKMAMRGJHQAMEY-GFCCVEGCSA-N 328.434 1.622 0 40 EDAB OC1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 225488375 UHBGLJNHLCDSGY-ZDUSSCGKSA-N 348.212 1.785 0 40 EDAB CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 224746000 CIAVUARQUMQFBC-UHFFFAOYSA-N 330.475 1.945 0 40 EDAB COC(=O)[C@H](NCc1cnc2ccc(Br)cn12)[C@H](C)O 191021099 SBEKGFJGNLQVTD-QPUJVOFHSA-N 342.193 1.109 0 40 EDAB Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCN(CC(F)F)CC1 134274771 CTKAGMIMPIVHBU-UHFFFAOYSA-N 342.346 1.208 0 40 EDAB Cc1ccc([C@H]2CN([C@@H]3CC(=O)N(CC(F)(F)F)C3=O)CCO2)o1 195246268 IXBQVQKXQFELDB-ZYHUDNBSSA-N 346.305 1.651 0 40 EDAB O=C(Cc1cccc(O)c1)Nc1nc(CN2CCOCC2)cs1 63537259 RQAYBELRHMKPQR-UHFFFAOYSA-N 333.413 1.862 0 40 EDAB CCO[C@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 193763966 OSYIWLHKSIHKGO-HUUCEWRRSA-N 329.404 1.670 0 40 EDAB CC(=O)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 45956837 FJPOYGNALLRYPC-UHFFFAOYSA-N 336.335 1.649 0 40 EDAB CCS(=O)(=O)N1CC[C@H](OCCOC)[C@@H]1Cc1ccncc1 96200769 ZBKYSMMOUVYWRA-GJZGRUSLSA-N 328.434 1.080 0 40 EDAB COc1ccccc1CNC(=O)CCNC(=O)c1cc(C)nn1C 96192460 QYOVMRHNKJPKNX-UHFFFAOYSA-N 330.388 1.173 0 40 EDAB CC(=O)N1CCN(Cc2ccc(NC3CCN(C)CC3)cc2)CC1 97378236 UCSDHLILYSTSMJ-UHFFFAOYSA-N 330.476 1.857 0 40 EDAB O=C(c1ccncn1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96209413 KEGKPRFWBRRZSD-KDOFPFPSSA-N 340.383 1.177 0 40 EDAB O=C(O)c1cnn(C2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)c1 579441530 LLSDWOODAONMFU-UHFFFAOYSA-N 341.367 1.994 0 40 EDAB O=C([C@@H]1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1)N1CCCC1 96036849 KRINTJCWVNRXNZ-INIZCTEOSA-N 344.459 1.605 0 40 EDAB CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96101448 YOCYCJRHPCAMHJ-VHSXEESVSA-N 332.326 1.713 0 40 EDAB c1cnc(OCc2nnc3n2CCN(Cc2ccsc2)CC3)nc1 96084581 ORIYXSAHGMYTBH-UHFFFAOYSA-N 342.428 1.767 0 40 EDAB O[C@H]1C[C@H](c2ccc(F)cc2)N(c2cc(N3CCOCC3)ncn2)C1 583616311 QNFQOLSWADAGQN-JKSUJKDBSA-N 344.390 1.765 0 40 EDAB CCc1cnc(N2CCO[C@]3(CCCN(c4ncccn4)C3)C2)nc1 96226456 RLJFINKCFMDUTF-SFHVURJKSA-N 340.431 1.705 0 40 EDAB O=C(NCc1cncc2c1CCN(C[C@@H]1CCOC1)C2)c1ccco1 96067425 BXVANVBPORBLHW-AWEZNQCLSA-N 341.411 1.999 0 40 EDAB O=S(=O)(CCc1ccccc1)Nc1cccc(-n2cnnn2)c1 95447398 NHPQHZQUQGPSCQ-UHFFFAOYSA-N 329.385 1.647 0 40 EDAB COCCCS(=O)(=O)NC1CCN(Cc2ccccc2F)CC1 96405536 MKQMOJJXFXRLPL-UHFFFAOYSA-N 344.452 1.746 0 40 EDAB O=C(c1cccnc1)N1CC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 96047740 HNPWYAOPVUACDR-YOEHRIQHSA-N 325.372 1.357 0 40 EDAB Fc1cnc(N2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)nc1 96063389 WTRWUKJKXSTUBW-ZBFHGGJFSA-N 333.367 1.267 0 40 EDAB CCOC[C@H](NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)C(C)C 585132265 RNPDXJKDUOUWKS-VWYCJHECSA-N 345.383 1.387 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)Cc2csc(C)n2)CCO1 257334375 YFQFUAVYXBCICZ-GFCCVEGCSA-N 333.417 1.426 0 40 EDAB CNC(=O)[C@@H](C)OC(=O)CCCNC(=O)c1ccc(Cl)cc1 26428823 VFXAQYGJSBQIMR-SNVBAGLBSA-N 326.780 1.528 0 40 EDAB O=C(C[C@@H]1COc2ccccc2O1)N[C@@H]1Cc2ccccc2NC1=O 529945718 SDCAMUBDXVNQAL-UKRRQHHQSA-N 338.363 1.896 0 40 EDAB CC(=O)N1CCC(O)(CN2CCC[C@@H](Cc3ccccn3)C2)CC1 257277448 NYAHTTYEYUOVIC-KRWDZBQOSA-N 331.460 1.710 0 40 EDAB CN(C)C(=O)c1cnn2c([C@H]3CCN(c4ccccn4)C3)ccnc12 257331882 XUQZJJIDCAWWQS-ZDUSSCGKSA-N 336.399 1.820 0 40 EDAB Cc1nc(C)c(C(=O)N2CCO[C@H](CCc3cc(O)ncn3)C2)s1 257214420 CLXRCKYETNDPKY-CYBMUJFWSA-N 348.428 1.729 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H](Cc3cccnc3)C2)n1 257200413 ADEQKTYJBBBPDK-MRXNPFEDSA-N 326.400 1.428 0 40 EDAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2ccc3oc(=O)n(C)c3c2)C1 257228853 FVOCEHMZVHGWNA-LBPRGKRZSA-N 326.356 1.793 0 40 EDAB COc1ccccc1CN1CC[C@@]1(CCCc1cnccn1)C(N)=O 257248000 JBPWAFWTXKUEQR-IBGZPJMESA-N 340.427 1.938 0 40 EDAB O=C1CO[C@@H]2CN(Cc3cscn3)C[C@H]2N1Cc1ccccc1 257284443 PCSWWOVZTRHPDS-HZPDHXFCSA-N 329.425 1.755 0 40 EDAB CC(C)N1CCN(C(=O)CCCN(C)c2ccccc2)C[C@@H]1C(N)=O 257306549 SURXCIXSZPEAGK-QGZVFWFLSA-N 346.475 1.310 0 40 EDAB O=C(c1ccccc1NCc1nnnn1C1CC1)N1CCC[C@@H](O)C1 267101261 KTYGZCHWVDTVQK-CYBMUJFWSA-N 342.403 1.217 0 40 EDAB Cc1nc2n(n1)CCN([C@@H]1CCCN(c3cccc(F)c3)C1=O)C2 267410342 SWVXXCYRCBDXDF-OAHLLOKOSA-N 329.379 1.737 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccncc2)cc1C(N)=O 26755334 RDGYAUPSZUGXDG-SNVBAGLBSA-N 335.385 1.229 0 40 EDAB CC(C)Oc1cccc(CNC(=O)CN[C@]23CCC[C@@H]2NCC3)c1 1615059275 ZEZFTMVZCAWNRQ-HKUYNNGSSA-N 331.460 1.964 0 40 EDAB CCCCn1nc(C(=O)NCc2cnc3nccn3c2)ccc1=O 1615576279 VVXNEBSTWWQGLK-UHFFFAOYSA-N 326.360 1.016 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)Nc2cccc3c2ccn3CC(=O)O)C1 1615614258 DOCDBIBCZLVBSV-CYBMUJFWSA-N 343.383 1.923 0 40 EDAB COc1ccc2nc(OC3CN(C(=O)c4cn(C)nn4)C3)sc2c1 90608032 UBRCVGQTHHBJHK-UHFFFAOYSA-N 345.384 1.337 0 40 EDAB COc1cccc([C@H](CNC(=O)C(=O)Nc2cccnc2)OC)c1 96390427 SSDFMDIQUVQWEX-HNNXBMFYSA-N 329.356 1.533 0 40 EDAB CC(=O)c1sc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)nc1C 575420487 CFADEQXDYZPWIP-GFCCVEGCSA-N 331.419 1.353 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N(C)[C@]1(C)CCS(=O)(=O)C1 575421691 LECDCAIVPLHISD-CQSZACIVSA-N 347.458 1.201 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2ccsc2)[C@H]2CCO[C@@H]21 585109264 FLNQQLFZVZIADB-QLFBSQMISA-N 346.408 1.887 0 40 EDAB COC[C@@]1(C)NC(=O)N(Cc2ccc(Br)s2)C1=O 66082808 ZJZASDSEYVGUTA-LLVKDONJSA-N 333.207 1.968 0 40 EDAB Cc1nn(C)c(Cl)c1CSc1n[nH]c(=O)n1C[C@H]1CCCO1 70040256 YKOJCDSOOAFJPH-SECBINFHSA-N 343.840 1.738 0 40 EDAB Cn1cc(CNCC2CCN(CCO)CC2)c(-c2cccnc2)n1 69368952 JERRBKLGNVNZBU-UHFFFAOYSA-N 329.448 1.276 0 40 EDAB O[C@H](CN1CCN(c2nc3ccccc3o2)CC1)Cn1cccn1 69737592 AOZGBMFRVXHFGO-CQSZACIVSA-N 327.388 1.207 0 40 EDAB Cc1c(NC(=O)NCCNC(=O)C2CC2)cccc1N1CCCC1=O 47845284 WMUJILLSTLEIMF-UHFFFAOYSA-N 344.415 1.770 0 40 EDAB NC(=O)CN1CCC(NC(=O)N2CCC[C@H]2c2cccs2)CC1 44967554 MBFTWPBMYMFNRK-ZDUSSCGKSA-N 336.461 1.544 0 40 EDAB NC(=O)C1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 58342684 DVBPNLNBUSJLEX-INIZCTEOSA-N 347.434 1.762 0 40 EDAB Cn1cc(C(=O)C[C@@H]2CCCN2c2cnn(C)c(=O)c2Cl)cn1 97047857 HZRMJJKAMBIHIF-NSHDSACASA-N 335.795 1.409 0 40 EDAB CC(C)c1cc(CNC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)on1 98020284 UAQUIIJTDXMNAF-QGZVFWFLSA-N 347.419 1.989 0 40 EDAB Cn1cc(Br)cc1C(=O)NCC[C@H](O)C(F)(F)F 95403583 KECWRSCOFKCDAG-QMMMGPOBSA-N 329.116 1.831 0 40 EDAB CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cnccn1 12276181 MDRMVOBJJPCYFW-JTQLQIEISA-N 345.384 1.563 0 40 EDAB CC[C@H](CN1CCCCC1)NC(=O)CC1=NNC(=O)[C@H]2C=CC=C[C@H]12 12362934 UAKPYRQPXYEEHT-PMPSAXMXSA-N 344.459 1.601 0 40 EDAB CCC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)CC)CC1 14257847 IHYWTVJUJASQBA-UHFFFAOYSA-N 348.472 1.968 0 40 EDAB COC(=O)c1cc(NC(=O)/C=C\C(=O)O)ccc1Br 17322651 HJPKBOZHSFUPAE-PLNGDYQASA-N 328.118 1.815 0 40 EDAB Cn1ccnc1SCCNC(=O)c1cnc(N2CCCCC2)nc1 19291535 VNCGWHUITBCGPX-UHFFFAOYSA-N 346.460 1.723 0 40 EDAB CNc1nc([C@H]2CCCCN2C(=O)COC)nc2c1CN(C)CC2 19711569 NAYRKHIDWOAJIP-CQSZACIVSA-N 333.436 1.206 0 40 EDAB O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CN3CC2CC2)[C@H]1O5 169747801 PTSVULYBIYQCMM-GRGSLBFTSA-N 327.380 1.135 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CN(c2cc(-n3cncn3)ncn2)C1 575604934 IJHKBHQSCCPXQC-OCCSQVGLSA-N 341.419 1.188 0 40 EDAB COc1ccc(NC(=O)COC(=O)c2ccccc2NCCO)cc1 5279115 AJIZTCMTIQUIIP-UHFFFAOYSA-N 344.367 1.895 0 40 EDAB Cc1nc(N2C[C@@H]3CN(Cc4c(C)noc4C)C[C@H]3C2)nc(O)c1F 1888853993 NLDUPIXRNIIMFJ-STQMWFEESA-N 347.394 1.803 0 40 EDAB Cc1ccc(N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)nn1 1889077239 RMVULOYLFXKJLF-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB Cc1c(CN(C)C(=O)c2nn(C)cc2Br)cnn1C 2778482 IPNGCPOXVOZIMG-UHFFFAOYSA-N 326.198 1.497 0 40 EDAB Cn1cc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)cn1 2037905559 FQCCQKOJELINME-SFHVURJKSA-N 347.390 1.995 0 40 EDAB COc1cnc(C(=O)N2C[C@H]3CCN(CC(C)C)CC[C@H]3C2)nc1 2056223458 MQKMZMWHUGJUST-GASCZTMLSA-N 332.448 1.925 0 40 EDAB CC(=O)N1N=C(C)C[C@]12CC[C@H]1CN(C(=O)Cc3nc(C)no3)C[C@@H]12 1565556336 ROLGLIOGQGTHED-ZQIUZPCESA-N 345.403 1.156 0 40 EDAB CC(=O)n1nc(C)c(S(=O)(=O)N2CCc3ccccc3C2)c1C 9569792 SOSMYUSDILYQPP-UHFFFAOYSA-N 333.413 1.907 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)NC[C@H]1COC2(CCCC2)O1 10220558 IWVMSCRDJOQCMQ-ZDUSSCGKSA-N 341.429 1.968 0 40 EDAB COCCCNC(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055717892 BIIAGJFEHYCLSL-CYBMUJFWSA-N 348.447 1.271 0 40 EDAB COCC(=O)N1CC[C@]2(CC[C@H](C(=O)Nc3cccnc3)O2)[C@H](C)C1 2055729965 KEOZPUCQSJUTFQ-DDUZABMNSA-N 347.415 1.453 0 40 EDAB Cc1cncc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086881840 KLWRBRLCKNHMSJ-GFCCVEGCSA-N 326.347 1.248 0 40 EDAB Cc1cc(C)n(CCNC(=O)CNC(=O)c2c[nH]c3ccccc23)n1 49027745 WQZVHACZGLHWBO-UHFFFAOYSA-N 339.399 1.527 0 40 EDAB CCc1ccc(OC)c(S(=O)(=O)NC[C@@](C)(COC)OC)c1 575612147 KZVAORGRRUHWDF-HNNXBMFYSA-N 331.434 1.587 0 40 EDAB CC(C)[C@@H](Cn1nccn1)NC(=O)c1cncc(Br)c1 245093504 RRHJGRQQVZAUIJ-GFCCVEGCSA-N 338.209 1.890 0 40 EDAB CCOC(=O)N1CCN(C[C@@H](O)COc2ccc(OC)cc2)CC1 19809500 GWAJOPYUYPMDTC-CQSZACIVSA-N 338.404 1.209 0 40 EDAB Cc1nnc(NC(=O)c2ccc(NC(=O)N3CCOCC3)cc2)s1 40267485 JCRXTYPMIATGTH-UHFFFAOYSA-N 347.400 1.963 0 40 EDAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(OC)c1OC 71053 BDJJYQATYXMMND-GFCCVEGCSA-N 331.332 1.152 0 40 EDAB COC(=O)C[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(C)cc1 31100518 XNZVMNCEDHVPHD-AWEZNQCLSA-N 329.356 1.123 0 40 EDAB CCNC(=O)CN1CCN(Cc2csc(-c3ccco3)n2)CC1 40497726 QJHRZNIDFPSBJZ-UHFFFAOYSA-N 334.445 1.657 0 40 EDAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(CC(=O)Nc2cc(C)no2)C1 51052786 YQLBADVIXIFKJS-OCCSQVGLSA-N 336.436 1.938 0 40 EDAB Cn1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)cn1 40528042 QZLJXQVOCXGSOX-UHFFFAOYSA-N 334.445 1.317 0 40 EDAB CNC(=O)CCS(=O)(=O)Cc1coc(-c2cccc(F)c2)n1 40528987 XTGHBHPPXQHCSK-UHFFFAOYSA-N 326.349 1.532 0 40 EDAB CCc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)o1 40541097 OOCGLDZWAJLODG-UHFFFAOYSA-N 328.416 1.919 0 40 EDAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)OC 32773682 NVLOCUYNJJGPST-CYBMUJFWSA-N 337.372 1.339 0 40 EDAB CC(C)OCCCNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102366073 GMTZDVHZBGPNQX-UHFFFAOYSA-N 335.429 1.767 0 40 EDAB CCCCN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C1 32825648 DFYKHIONXNCHHC-MRXNPFEDSA-N 325.478 1.827 0 40 EDAB CC[C@@](C)(CNC(=O)CCc1c(C)nn(C)c1C)N1CCOCC1 41406810 ODWPCCMOUKYCQP-SFHVURJKSA-N 336.480 1.587 0 40 EDAB Cc1cc(C(=O)Nc2ccc(-n3ncc4c(=O)[nH]cnc43)cc2)no1 104253521 KESIXNRJOMSCQS-UHFFFAOYSA-N 336.311 1.658 0 40 EDAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cnc2sccn2c1=O 72273030 JHUATTXEPZZRLK-QWHCGFSZSA-N 327.365 1.144 0 40 EDAB C[C@H](C(=O)NCCc1ccccc1)N1CCN(c2ccccn2)CC1 24115552 RDTGZUXMQRPQPR-QGZVFWFLSA-N 338.455 1.951 0 40 EDAB CC[C@H](COC)NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 78844764 REVRQOCMZHMWFA-CQSZACIVSA-N 342.461 1.872 0 40 EDAB CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@@H](C(F)(F)F)C1 78942460 DUENMBHQEJUBGA-MRVPVSSYSA-N 349.275 1.991 0 40 EDAB C[C@@H](O)CNC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 43002632 FVXSUSXFVJJFAE-CQSZACIVSA-N 340.427 1.824 0 40 EDAB O=c1[nH]c(=O)n(Cc2noc(-c3ccc(Cl)cc3)n2)cc1Cl 79061964 PFONVBLMFJVBHQ-UHFFFAOYSA-N 339.138 1.942 0 40 EDAB CS(=O)(=O)N1CCCN(Cc2coc(-c3cccs3)n2)CC1 24923481 XSQJQFQHLIKAGK-UHFFFAOYSA-N 341.458 1.870 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2cccnc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 3999673 OZEKMLJYTCPRAI-FSZRXZPDSA-N 349.383 1.248 0 40 EDAB C[C@H]1CCCCN1[C@H](C)CNC(=O)c1ccc(CNC(N)=O)cc1 106511340 GEWDCEMDXZXOIJ-UONOGXRCSA-N 332.448 1.848 0 40 EDAB COC(=O)C[C@H]1C(=O)NCCN1Cc1coc(-c2ccc(C)cc2)n1 25055799 NLSRATDQWRZDLC-HNNXBMFYSA-N 343.383 1.514 0 40 EDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1 6818294 DJFXLYUDNWHFOM-UHFFFAOYSA-N 340.430 1.958 0 40 EDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCC3CCC3)cc(C3CC3)nc21 26146581 QEVMITXVAUSRST-UHFFFAOYSA-N 342.399 1.512 0 40 EDAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21 57426477 NRSOGWWSEFVVGZ-UHFFFAOYSA-N 347.371 1.848 0 40 EDAB CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NCc1cccnc1 57422760 JFOIDTFSGXQGRY-AWEZNQCLSA-N 340.449 1.085 0 40 EDAB Cc1cccn2cc(CCNC(=O)N(C)C[C@@H](O)C(F)(F)F)nc12 97114674 UEPIPAVWNQGJTQ-GFCCVEGCSA-N 344.337 1.750 0 40 EDAB CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NC(C)C)nn1 8297987 YVYVSWNXKRHBEX-OIISXLGYSA-N 333.480 1.856 0 40 EDAB biogenic,in-vitro COC(=O)c1cc(CN(C)C[C@H](O)COCc2ccco2)oc1C 57981060 QABDASKWJZLXHQ-ZDUSSCGKSA-N 337.372 1.977 0 40 EDAB Cc1sc2nc(CC(=O)NCc3ccccn3)[nH]c(=O)c2c1C 27333764 XYIIMLKFCSOZHN-UHFFFAOYSA-N 328.397 1.855 0 40 EDAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 58162363 KBJAYENVJJBNJZ-UHFFFAOYSA-N 342.399 1.946 0 40 EDAB O=c1c2ccsc2ncn1C[C@H](O)CN1CCc2ccccc2C1 58137685 UQLJSRCGOTZLLA-OAHLLOKOSA-N 341.436 1.877 0 40 EDAB O=C(NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1ccco1 9121049 WDNRFPCVDRZWCZ-LLVKDONJSA-N 330.296 1.764 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(O)cc2)CC1 58289679 UCLIOSBNFBZTBU-UHFFFAOYSA-N 340.445 1.412 0 40 EDAB CN(C)CCn1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cn1 58265175 YUBMZTDISYTPQV-UHFFFAOYSA-N 336.417 1.101 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNC[C@H](O)COc1c(C)cccc1C)CN2 58299027 QKQIWIVQNGQQGN-IRXDYDNUSA-N 344.459 1.880 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)N3CCSCC3)cn2)CCO1 44968641 RZBYRLGJLVHQOB-CYBMUJFWSA-N 336.461 1.565 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NCc1cccc(N2CCCC2=O)c1 44955138 QLEPELAWXLMIOO-AWEZNQCLSA-N 341.415 1.898 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@@H]1c1ccc(F)cc1 45078113 RSNMGPMNWOSBKS-OAHLLOKOSA-N 340.420 1.220 0 40 EDAB COc1c(CNCc2ccccc2Cn2cncn2)c(C)nn1C 58405242 SUKWQDMUPIBOJX-UHFFFAOYSA-N 326.404 1.667 0 40 EDAB CCCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccccc3)nnc12 10963817 QBTGHHBGZMRADX-UHFFFAOYSA-N 338.371 1.538 0 40 EDAB O=C(NCc1csc(Br)c1)N[C@H]1CCCCNC1=O 45668252 STHMCDAXDFJWRX-VIFPVBQESA-N 346.250 1.979 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(N2CCCCC2)nc1)c1nncn1C 45877777 KDGAHQPCOHAVSY-CYBMUJFWSA-N 343.435 1.761 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)CCc2ccc(F)c(F)c2)C1 29202783 GPTBGAJYXDYEPT-LBPRGKRZSA-N 346.399 1.438 0 40 EDAB C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)c1nncn1C 46964637 OHCAVERWISEWAL-AWEZNQCLSA-N 328.420 1.404 0 40 EDAB CCn1cc(NC(=O)Cn2nc(C)c3ccccc3c2=O)ccc1=O 47181305 PARXVANVVCPWLZ-UHFFFAOYSA-N 338.367 1.525 0 40 EDAB Cc1nn(CC(F)F)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)O 12396397 LRDAJBPEZGLXNW-UHFFFAOYSA-N 339.220 1.875 0 40 EDAB Cn1cc(N2C(=O)C[C@H](N(Cc3ccc(F)cc3)C3CC3)C2=O)cn1 103941858 PFBATZPUUFXRQH-INIZCTEOSA-N 342.374 1.856 0 40 EDAB O=S(=O)(N[C@H]1CCSc2ccc(F)cc21)N1CCOCC1 48325125 ZADFAWAAARKDTN-LBPRGKRZSA-N 332.422 1.529 0 40 EDAB NC(=O)[C@H]1C[C@@H](O)CN1c1nc(C(F)(F)F)nc2ccccc12 12846744 CIIKWDSNNNPNLJ-GMSGAONNSA-N 326.278 1.074 0 40 EDAB C[C@H]1Oc2ccc(NC(=O)Cn3nnc4ccccc43)cc2NC1=O 13002742 FOLRPYSUCBTCBH-SNVBAGLBSA-N 337.339 1.789 0 40 EDAB Cc1nnc(COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)o1 39640282 RUSXOKMMCTWPLJ-UHFFFAOYSA-N 333.388 1.754 0 40 EDAB O=C(NCc1nncn1-c1ccccc1)N(C[C@H]1CCOC1)C1CC1 65399564 KHCZOYRATBHXFY-CQSZACIVSA-N 341.415 1.978 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2cc(F)ccc2F)C1 95403450 SKPAXMKQLRBOPS-NSHDSACASA-N 346.399 1.295 0 40 EDAB CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 65437588 NUWFBKJMPBQNBK-UKRRQHHQSA-N 341.415 1.524 0 40 EDAB COC[C@@H](C)NC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 65443821 DVLQUPWMRUAHOU-CYBMUJFWSA-N 335.404 1.277 0 40 EDAB CCn1c(SCC(=O)NC(C)(C)C)nnc1N1CCOCC1 14094746 HTPUSKGTOONIKA-UHFFFAOYSA-N 327.454 1.141 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)CCC(=O)N1CCSc2ccccc21 65575506 QAUHUTQMOUTKQV-GFCCVEGCSA-N 349.456 1.546 0 40 EDAB CCS(=O)(=O)N(CC(=O)NCC(C)C)c1ccc(C(C)=O)cc1 65566696 NWHISMQGUUOXRV-UHFFFAOYSA-N 340.445 1.818 0 40 EDAB Cn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1cccnc1 14183634 TXWDJSWLWKESIW-LBPRGKRZSA-N 333.417 1.264 0 40 EDAB O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCCC1 14121163 LSLDSSABKLZWIZ-UHFFFAOYSA-N 335.363 1.915 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)Nc1nnc[nH]1 6533364 JXOSQNKBVAAJLA-UHFFFAOYSA-N 333.167 1.377 0 40 EDAB C[C@H](O)CCN(C)S(=O)(=O)c1cc(F)ccc1Br 95433830 QZOHMZDMWSCVPL-QMMMGPOBSA-N 340.214 1.980 0 40 EDAB CCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 66484679 MNLYDOMYIKOKPR-QGZVFWFLSA-N 346.427 1.939 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)CCCc2nc(C3CC3)no2)CC1 95401952 ACSSPBCZEVLIND-GXTWGEPZSA-N 346.431 1.597 0 40 EDAB Cn1nnc2cc(C(=O)NC[C@]3(O)CCCc4ccccc43)ccc21 66930336 BWLUOPHXVHXPDE-LJQANCHMSA-N 336.395 1.922 0 40 EDAB Cn1cc(N2CC[C@H](NC3CCN(c4ccccn4)CC3)C2=O)cn1 90018767 PWKOTCNTJIZWPS-INIZCTEOSA-N 340.431 1.179 0 40 EDAB COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc1 15497540 ACFJOAOWXMKMNI-SNVBAGLBSA-N 332.312 1.954 0 40 EDAB O=C(c1csnn1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 96470979 HRMDLLSGESLSCN-GJZGRUSLSA-N 330.413 1.264 0 40 EDAB C[C@@H](CC(=O)Nc1ccc(F)cc1)NC[C@@H]1CCCS1(=O)=O 90468157 DVCJCTZMSSFRDQ-FZMZJTMJSA-N 328.409 1.710 0 40 EDAB CCCCN(C(=O)c1ccccn1)c1c(N)n(CCC)c(=O)[nH]c1=O 7814025 XOTMEOTVMCBWKQ-UHFFFAOYSA-N 345.403 1.371 0 40 EDAB CC(C)N1CC[C@]2(Cc3nc(=O)c(C(=O)N4CCCCC4)cn3C2)C1 306143596 YGNJBWKIILJQSJ-IBGZPJMESA-N 344.459 1.526 0 40 EDAB CN1CCC[C@H]1[C@H]1CCCN1C(=O)Cn1c(=O)n(C)c2ccccc21 71870383 ULPLUSSCDZMTGX-GOEBONIOSA-N 342.443 1.425 0 40 EDAB CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](Cc3ccccc3)C2)CC1=O 81444744 XLJSFRBQXLKWMT-ZWKOTPCHSA-N 343.471 1.488 0 40 EDAB Cc1ccc(F)c(N2CCC[C@@H](N3CCC(NC(N)=O)CC3)C2=O)c1 81547800 HZIMWPHFRUQHKB-OAHLLOKOSA-N 348.422 1.762 0 40 EDAB CCN(CC)C(=O)CSc1nnc(S[C@H](C)C(=O)NC)s1 8132690 BCFSYVLFJJGBPI-MRVPVSSYSA-N 348.519 1.725 0 40 EDAB CN(C)CC(C)(C)CNC(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1 70014681 DZXBDNCLLDNDHW-UHFFFAOYSA-N 348.447 1.031 0 40 EDAB CCNC(=O)CCC(=O)NC[C@H](Cc1ccccc1)C(=O)OCC 69350584 ZWXGYOZLKBJXEZ-HNNXBMFYSA-N 334.416 1.441 0 40 EDAB O=C(CCN1CCN([C@H]2CCC[C@H]2O)CC1)Nc1cccc(F)c1 69439135 DQZHNVDRIJHXTK-DLBZAZTESA-N 335.423 1.685 0 40 EDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1cccc2c1OCCO2 69491977 WYMLRRNYCMPGCZ-WFASDCNBSA-N 335.356 1.469 0 40 EDAB Cc1cccc(NC(=O)CN(C)CC(=O)NCc2ccccc2)n1 69458683 YCXVKRIMJIJAGW-UHFFFAOYSA-N 326.400 1.577 0 40 EDAB COc1cc(C(=O)N2CCN(CCN3CCCC3=O)CC2)ccc1C 69455378 LCYJGRDPXXKCNB-UHFFFAOYSA-N 345.443 1.384 0 40 EDAB Cc1cc(C)c(NS(=O)(=O)c2ccc(C(N)=O)cc2)c(C(=O)O)c1 69442876 YKXNKKHGJJXFFJ-UHFFFAOYSA-N 348.380 1.901 0 40 EDAB CCn1ccnc1CN1CCN(CC(=O)NCc2cccs2)CC1 69444484 LFIXXKFZOOHRSV-UHFFFAOYSA-N 347.488 1.399 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N[C@H](c1ccccc1)c1nccn1C 71903356 UXZJGOLGRZAGKJ-DZGCQCFKSA-N 349.456 1.839 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCC(=O)NCC1CCN(S(C)(=O)=O)CC1 71903539 FJNIOQUCZABVCF-HIFRSBDPSA-N 346.493 1.370 0 40 EDAB CNC(=O)c1ccc(NC(=O)NCCNC(=O)CC2CCCC2)cc1 69567118 LMLHJYFQXJJKLN-UHFFFAOYSA-N 346.431 1.864 0 40 EDAB O=C(CC(F)(F)F)N1CCN(CC[S@](=O)c2ccccc2)CC1 69779394 PXVIOYJRONBCBZ-HSZRJFAPSA-N 348.390 1.891 0 40 EDAB Cc1cc(C)n(C2CN(CC(=O)N3CC(=O)Nc4ccccc43)C2)n1 69878537 BCQOJUITTPWKNZ-UHFFFAOYSA-N 339.399 1.342 0 40 EDAB CS(=O)(=O)NCCC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 69842734 FCAUSWAFWMGESX-CVEARBPZSA-N 338.473 1.843 0 40 EDAB NC(=O)NC(=O)CNc1ccc(C(=O)N2CCCCC2)c(Cl)c1 69970635 ZJRLDAFNDLIOQT-UHFFFAOYSA-N 338.795 1.573 0 40 EDAB NC(=O)c1ccc(NS(=O)(=O)CCOc2ccc(F)cc2)cc1 70879044 HMGZRDHSBKETPG-UHFFFAOYSA-N 338.360 1.745 0 40 EDAB Cc1cc(NC(=O)Cn2ncn(C)c2=O)n(-c2ccc(Cl)cc2)n1 97048273 AJDKNZGFRDTSRB-UHFFFAOYSA-N 346.778 1.368 0 40 EDAB CCOCCCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 8939697 YZFXJKGXTJJLIV-BLLLJJGKSA-N 325.409 1.030 0 40 EDAB CNC(=O)CN1CCC(CN(C)[C@@H]2Cc3ccccc3[C@@H]2O)CC1 97034118 OLZXTESLNGFATI-MJGOQNOKSA-N 331.460 1.035 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1OCCc2ccccc21 72285402 ALAJWSMLSDCZDU-ZWKOTPCHSA-N 338.407 1.903 0 40 EDAB O=S1(=O)N=C(NCc2ccc(N3CCCC3)nc2)c2ccccc21 72274612 HESGJXCLZVRLHX-UHFFFAOYSA-N 342.424 1.921 0 40 EDAB COC(=O)C[C@@H](NC(=O)Cc1ccc(OC(F)F)cc1)C(=O)OC 72245354 DSWNNVGTPJMKQF-LLVKDONJSA-N 345.298 1.051 0 40 EDAB NC(=O)C[C@H](Nc1cnc2cc(F)c(F)cc2n1)C1CCOCC1 95975478 LHAGJWRSERYSMB-LBPRGKRZSA-N 336.342 1.991 0 40 EDAB COc1ccc(/C=C/C(=O)N2CCOC[C@@H]2C[C@H](C)O)c(OC)c1 95944618 OUWIJHTUESCNPP-HSRYQADGSA-N 335.400 1.715 0 40 EDAB Cc1ccc(OC[C@H](O)CN2CCC(N3CCN(C)C3=O)CC2)cc1 75131504 CFNVFVPUHSXFMO-QGZVFWFLSA-N 347.459 1.567 0 40 EDAB NS(=O)(=O)[C@H]1CCCN(C(=O)c2cc3c(F)cccc3s2)C1 75144429 YPPFVEGFSNMLOM-VIFPVBQESA-N 342.417 1.934 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)[C@@H](c2ccccc2)n2cccc2)CC1 62021920 XJKWQSFEVMXHAD-MRXNPFEDSA-N 347.440 1.181 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C2CC2)cc1 89977687 DMVCJFWREHHBFU-HNNXBMFYSA-N 338.429 1.188 0 40 EDAB CCCn1nc(C)c(CNCC2(S(C)(=O)=O)CCOCC2)c1C 89960634 DLVXUTFBQVUVKL-UHFFFAOYSA-N 343.493 1.593 0 40 EDAB COCCOc1cccc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)c1 76053050 YDIPUGSPJSMKIW-CRAIPNDOSA-N 348.443 1.505 0 40 EDAB CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1 21559337 YVNZRPYUTLBLTG-AWEZNQCLSA-N 346.383 1.494 0 40 EDAB O=C(NCC[C@@H]1CN(C2CCOCC2)Cc2ccnn21)N1CCCC1 306137828 RHNFRXRQKWFRIV-MRXNPFEDSA-N 347.463 1.614 0 40 EDAB Cc1nc(C(=O)N2CC[C@H](N(C)C)[C@@H]2C)nn1-c1ccc(F)cc1 557408124 WNBPTFZCPNBQDC-NHYWBVRUSA-N 331.395 1.879 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCc2nn(C)c(=O)cc2C1 187706067 GHMZQGJCXVCBOK-LBPRGKRZSA-N 347.440 1.303 0 40 EDAB O=C(Cc1noc(C(=O)NCc2ccccn2)n1)Nc1ccccc1 31817930 GSRICVVFXTVWCC-UHFFFAOYSA-N 337.339 1.576 0 40 EDAB Cc1nc(CN2CCC(CNC(=O)c3nccnc3N)CC2)cs1 78930212 PIFHUDINKJMIEX-UHFFFAOYSA-N 346.460 1.466 0 40 EDAB Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cn1 72330257 GUAKSSYAELRXGP-UHFFFAOYSA-N 328.324 1.957 0 40 EDAB O[C@H](CSc1nnc2c(n1)[nH]c1ccccc12)CN1CCOCC1 33941042 YFRZTWDZCAIZNU-NSHDSACASA-N 345.428 1.291 0 40 EDAB Cn1c(CN2CCO[C@@H](Cn3cncn3)C2)nc2cc(Cl)ccc21 71876598 YQCRFRSOSVQTKB-CYBMUJFWSA-N 346.822 1.719 0 40 EDAB Cc1cc(CCC(=O)O)nc([C@@H]2CCCCN2S(C)(=O)=O)n1 72363392 SUFFXODUSNRUAL-LBPRGKRZSA-N 327.406 1.289 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccc(F)c2)CC1 72241921 YHZYEVZVKDSESA-WBVHZDCISA-N 333.407 1.509 0 40 EDAB CC1(C)[C@@H](C(=O)Nc2ccc(OCC(=O)NC3CC3)cc2)[C@H]1C(=O)O 71284410 GZMNYLNKLUYGCE-CABCVRRESA-N 346.383 1.639 0 40 EDAB C[C@H](NC(N)=O)C(=O)N(C)CC1(C)CCN(Cc2ccccc2)CC1 78512020 LRRBQIVQCDSHFJ-HNNXBMFYSA-N 346.475 1.804 0 40 EDAB COc1ccc(CCS(=O)(=O)NC[C@@H](O)c2cccn2C)cc1 75155122 NBHVNGGMWQNPNO-MRXNPFEDSA-N 338.429 1.229 0 40 EDAB CC(C)CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCO 217518921 YOELOLIQUNGAMY-UHFFFAOYSA-N 330.406 1.113 0 40 EDAB Cc1ccc(-n2nnc(C(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 75163422 RJHKNVISQUJKHX-UHFFFAOYSA-N 337.339 1.994 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CN3CCC2CC3)nc(C2CCN(C)CC2)n1 72369464 GEMYULLLFIPLFI-QGZVFWFLSA-N 343.475 1.418 0 40 EDAB O=C(NCc1cnc2nccn2c1)c1cccnc1OCC(F)F 567001872 OKRMLLVDXJUAFY-UHFFFAOYSA-N 333.298 1.698 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2nnc3ccc(C)cc3n2)CC1 46088636 FHLBOVVXIHMLLV-UHFFFAOYSA-N 329.360 1.248 0 40 EDAB C[C@@H]1OCC[C@H]1S(=O)(=O)NCCc1ccc(-n2cccn2)cc1 135505450 BTMGIDJWVWBLCP-XJKSGUPXSA-N 335.429 1.512 0 40 EDAB COc1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cn1 48369140 DWQWJWGGEPNUQT-UHFFFAOYSA-N 336.351 1.953 0 40 EDAB NS(=O)(=O)c1cnc(NCc2ccccc2-n2ccnc2)s1 195575626 VHPMVHZRCGFVHP-UHFFFAOYSA-N 335.414 1.588 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@H](Cc3cnn(C)c3)C2)C1 80784201 OGHQKYBHKAMEFH-RBSFLKMASA-N 340.493 1.507 0 40 EDAB CS(=O)(=O)c1cnc(N)nc1-c1ccc(Br)cc1 96533040 OFSCHBYVIRCXBV-UHFFFAOYSA-N 328.191 1.892 0 40 EDAB Cc1nc(C2CC2)ccc1C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 578114142 GUFZNBOOGCSPAJ-RYRKJORJSA-N 343.427 1.823 0 40 EDAB O=C(N[C@@H]1CN(Cc2cccnc2)[C@@H]2CCCO[C@H]12)c1cnccn1 96185959 COTFGXCREBHVLJ-BRWVUGGUSA-N 339.399 1.033 0 40 EDAB CCOC[C@H]1C[C@]2(COCCN2C(=O)c2ccc3c(c2)OCO3)CO1 96078583 ZHFVRNHRQIUGQS-KDOFPFPSSA-N 349.383 1.452 0 40 EDAB CS(=O)(=O)CCN1CCN(c2cncc(Br)c2)CC1 91504097 RMTQVGFZDWAEEQ-UHFFFAOYSA-N 348.266 1.011 0 40 EDAB CS(=O)(=O)N1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)CC1 96218041 DYIOSLYQFLMTJI-MRXNPFEDSA-N 337.445 1.388 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)Cc2ccccc2F)n1 96420429 HVPJEHONYWTVHQ-UHFFFAOYSA-N 325.365 1.248 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2cnn(C)c2)s1 90581932 MOOFGAMXDOSMBE-LLVKDONJSA-N 328.463 1.419 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)C1CC=CC1)C2 96039565 RDAGUBQWWHPTKJ-IEBWSBKVSA-N 336.476 1.929 0 40 EDAB Cc1cnc(C(=O)N2Cc3nccn3C[C@H](COCC3CC3)C2)cn1 96187900 XZDSPPDMCYGSIO-HNNXBMFYSA-N 341.415 1.680 0 40 EDAB Cn1cc(CN2CC[C@H]3[C@H](CC(=O)N4CCCCO4)OC[C@H]3C2)cn1 96206599 XNQGXBOPWSQSLE-ZACQAIPSSA-N 348.447 1.201 0 40 EDAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)NC1CCN(C2CC2)CC1 96402339 OHVKWAVJRQPYNB-MRXNPFEDSA-N 333.436 1.810 0 40 EDAB CN(c1ncccn1)[C@@H]1CO[C@@]2(CCN(C(=O)c3cccn3C)C2)C1 96219811 PPWZSWMCJIDPDY-KSSFIOAISA-N 341.415 1.325 0 40 EDAB CN(C)CC(=O)N1Cc2nc(C(=O)NCc3cccs3)oc2C1 96266025 LNZNGJRSKOKTSB-UHFFFAOYSA-N 334.401 1.070 0 40 EDAB CCN1CCN(C(=O)CCc2ccccn2)C[C@H]1c1nccn1C 583621885 LAJLFDNFUWHMCE-INIZCTEOSA-N 327.432 1.653 0 40 EDAB O=C(c1cccs1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1 96188643 WYWCTYSOIHRNRW-GFCCVEGCSA-N 328.401 1.509 0 40 EDAB Cc1ccccc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCCN(C)C 96041493 MMRYWAUVPLSRLK-RCCFBDPRSA-N 332.444 1.945 0 40 EDAB C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2coc(CS(C)(=O)=O)n2)o1 585132231 QVRWINLAOFOSPV-ONGXEEELSA-N 338.385 1.866 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NCc1cc(C(F)(F)F)on1 585115038 JTYJAMCHZJSPHF-UHFFFAOYSA-N 338.311 1.522 0 40 EDAB CC(C)C[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 585121107 GFAZMFXBLGAJSU-SMDDNHRTSA-N 337.395 1.350 0 40 EDAB CS(=O)(=O)N(CC(=O)NCc1ccncc1)Cc1ccccc1 244252219 WHTAXBDMUVPCMP-UHFFFAOYSA-N 333.413 1.160 0 40 EDAB CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1cccs1 257217839 DAVHKLCYQSETEW-QGZVFWFLSA-N 346.456 1.571 0 40 EDAB O=C(c1noc2c1CCCC2)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257314101 UVHNAFJXEXCXCC-GDBMZVCRSA-N 328.368 1.818 0 40 EDAB O=C(COc1cccc(F)c1)N1CCOC[C@H]1CCc1cnccn1 257280904 OMWDZNSPTAFQRO-MRXNPFEDSA-N 345.374 1.855 0 40 EDAB CC(C)CN1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 604381816 PTWFGEVIZBXGKE-GOSISDBHSA-N 343.471 1.554 0 40 EDAB biogenic,in-vitro CCCn1nccc1-c1nccnc1C[C@H]1CCN(S(C)(=O)=O)C1 257214899 CNXMOXSKJPFQLU-CYBMUJFWSA-N 349.460 1.574 0 40 EDAB CNc1nccnc1[C@@H]1CN(S(=O)(=O)C2CCCCC2)CCO1 257278830 ODVHVDMBFZWBIB-ZDUSSCGKSA-N 340.449 1.554 0 40 EDAB CCN1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1c(C)cccc1F 252493684 NFFSGEGPJPJJEY-GJZGRUSLSA-N 342.436 1.618 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCOC[C@H]2c2nc(C)c[nH]2)ccn1 257264514 LUTRPGKCKIZONV-ZDUSSCGKSA-N 329.360 1.285 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1c(F)cccc1F 257231295 GGBQYCMZAONVOS-KRWDZBQOSA-N 346.337 1.632 0 40 EDAB NC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cccs3)C2)ncn1 257199735 AAQQECDPVGIKMM-NSHDSACASA-N 330.413 1.732 0 40 EDAB O=C(O)[C@@H](O)C1CCN(S(=O)(=O)c2cccc(C(F)F)c2)CC1 1601686972 FYMROGPLYSTGSA-LBPRGKRZSA-N 349.355 1.470 0 40 EDAB COc1cccc([C@H]2[C@@H](C(=O)NCCC(=O)O)CC(=O)N2C2CC2)c1 263567911 GSOPFOFDNMOFST-YOEHRIQHSA-N 346.383 1.338 0 40 EDAB COCCNC(=S)Nc1nc(OC)cc(N2CCC[C@H](C)C2)n1 260732790 BGXGQHDLQPCGFT-NSHDSACASA-N 339.465 1.654 0 40 EDAB CCO[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2NCCO)C1 1615046243 JZLKEBQYUVDBTP-CYBMUJFWSA-N 346.424 1.420 0 40 EDAB COC1(CO)CCN(c2nnnn2CCc2ccccc2F)CC1 1616033597 QYYFFFCRGXOZPA-UHFFFAOYSA-N 335.383 1.033 0 40 EDAB Cn1cc(S(=O)(=O)NCc2ccnc(-c3ccncc3)c2)cn1 390828789 UKCGNOUUAAJHPO-UHFFFAOYSA-N 329.385 1.356 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CC(F)(F)C2)C1 575402431 AIOVOTBHJIFEBU-GFCCVEGCSA-N 326.347 1.336 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H](OCC(=O)N3CCCC3)CS2)C1 575402342 AYLFRFGGVGIKIQ-HZSPNIEDSA-N 338.473 1.368 0 40 EDAB O=C(c1ccco1)N1C[C@H]2CN(C(=O)Cc3ccc(F)cn3)[C@H]2C1 585108234 ANTRDJLBVKGYRK-FZMZJTMJSA-N 329.331 1.339 0 40 EDAB O=C(c1cc[nH]n1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 585108607 LOHCHVGTIKKLOR-PMPSAXMXSA-N 328.372 1.394 0 40 EDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)c2ccc(F)c(F)c2)C1 585276970 FFZWMPOVFBDVJJ-INIZCTEOSA-N 326.343 1.458 0 40 EDAB COc1ccc(CCNS(=O)(=O)N2CCCCCC2)cc1OC 44894140 NZRFXRXHLNENAS-UHFFFAOYSA-N 342.461 1.957 0 40 EDAB COc1cccc(NC(=O)NCc2noc([C@@H]3CCC(=O)N3C)n2)c1 1775964187 VVVOZYUFMUHJEE-LBPRGKRZSA-N 345.359 1.693 0 40 EDAB biogenic,in-vitro CC(C)CCOCCNC(=O)CN(C)S(=O)(=O)c1ccccc1 55044709 LKRPWCNSYBATAR-UHFFFAOYSA-N 342.461 1.486 0 40 EDAB COCCN(C)CCCNC(=O)c1sc(-c2ncccn2)nc1C 55341543 BAUCDZLZUZSQPJ-UHFFFAOYSA-N 349.460 1.607 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C2)c(OC[C@@H]2CCCO2)c1 56303419 RQLMTOLVHSBTBB-KGLIPLIRSA-N 332.400 1.970 0 40 EDAB COC(=O)[C@H](CNS(=O)(=O)c1ccccc1OC)CC(C)C 75147544 MAVFNUKLGAIPJQ-LBPRGKRZSA-N 329.418 1.809 0 40 EDAB CC(C)[C@@H](Sc1nc2ncccn2n1)C(=O)NCc1cccnc1 58209241 PHNIAISAMXMQEB-CYBMUJFWSA-N 342.428 1.952 0 40 EDAB CCN(CC)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 58330830 CMZIFZZNXFDLQW-OAHLLOKOSA-N 339.461 1.053 0 40 EDAB CCn1cc(Br)cc1C(=O)NCCNc1ncccn1 58331799 PSZZJFLKOKNOPD-UHFFFAOYSA-N 338.209 1.902 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)c1cccc(CN2CCCC2=O)c1 42513209 UKLQUYAONDQPRA-AWEZNQCLSA-N 326.400 1.824 0 40 EDAB CC(=O)N1CC2(CCN(C3COC3)CC2)C[C@@H]1Cc1ccccn1 1615156352 VSJIYUQUCFVTDY-KRWDZBQOSA-N 329.444 1.726 0 40 EDAB CCCCOCCOCCN(CCO)CCOCCOCCCC 5420225 IVFPFYXSAOVNHG-UHFFFAOYSA-N 349.512 1.947 0 40 EDAB CCn1c(=O)n(CCC(=O)OCC(=O)c2ccc[nH]2)c2ccccc21 12457101 LMRLWEJNAXXVKH-UHFFFAOYSA-N 341.367 1.967 0 40 EDAB CCCC(=O)N1CCc2nc([C@H]3CCCN3C(=O)CC)[nH]c(=O)c2C1 19501605 FXKDIUDIXJZKBZ-CQSZACIVSA-N 346.431 1.528 0 40 EDAB CCCCNC(=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1 12913914 XOPQETHDAVWXHW-JTQLQIEISA-N 325.796 1.700 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)C5CCCC5)C[C@@H]4C3)ncnc21 1888865693 MYRYMNAIJZZHIM-KBPBESRZSA-N 340.431 1.448 0 40 EDAB CSc1nccc(N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)n1 1888866631 PXLKMAPLJSBVEZ-STQMWFEESA-N 340.408 1.824 0 40 EDAB Cc1nc2c(c(N3CCN(c4ccnc(N(C)C)n4)CC3)n1)CCC2 1889084204 CJCCBILCJQMJEB-UHFFFAOYSA-N 339.447 1.456 0 40 EDAB Cc1cc(N2CCN(c3nccn4nccc34)CC2)nc(N(C)C)n1 1889133989 JWCUBGAOMBWUCI-UHFFFAOYSA-N 338.419 1.220 0 40 EDAB COc1ccc(OC[C@H](O)CN2CCN(c3nccs3)CC2)cc1 25306843 INFGHGKAVVTSLB-CQSZACIVSA-N 349.456 1.714 0 40 EDAB O=C(CNC(=O)OCc1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 240067969 SFRLWTOKNSWFCM-OWCLPIDISA-N 348.399 1.366 0 40 EDAB CCOCCC(=O)N1C[C@H]2CCN(Cc3ccnn3C)CC[C@H]2C1 2056223482 NTWYURHBWXVFAV-IYBDPMFKSA-N 334.464 1.517 0 40 EDAB O=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccco1 10381663 IDTUCTBBIKPECS-UHFFFAOYSA-N 347.352 1.931 0 40 EDAB CCc1cnc2c(c1Nc1ccc(OC)cc1)c(=O)n(C)c(=O)n2C 12227119 AEQXKNHQXZPCON-UHFFFAOYSA-N 340.383 1.947 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H]2CCc3onc(CN(C)C)c3C2)cc1 2055734733 PJHZRVVZJHZUTL-CYBMUJFWSA-N 349.456 1.880 0 40 EDAB Cc1nnsc1C(=O)N1CCC(C(=O)Nc2nccs2)CC1 44226668 BFNBVMWVYVNHEP-UHFFFAOYSA-N 337.430 1.794 0 40 EDAB Cn1cccc1C(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225781197 GYTUTOPZRSXWDC-UHFFFAOYSA-N 342.786 1.885 0 40 EDAB Cc1nc(-c2ccccc2)ccc1C(=O)NCCCNS(C)(=O)=O 31218819 QHUKAZLDCNUSSZ-UHFFFAOYSA-N 347.440 1.726 0 40 EDAB COc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1N 20344805 JVFLACVVYZXOGI-JTQLQIEISA-N 339.351 1.901 0 40 EDAB CN(CCCc1nc(-c2cccs2)no1)[C@H]1CCS(=O)(=O)C1 50820847 SZRZXKFOKIYARD-NSHDSACASA-N 341.458 1.850 0 40 EDAB CC(C)(C)NC(=O)CN1CCCN(C(=O)Cc2ccccc2F)CC1 40487825 WPISFXCPLPKFEM-UHFFFAOYSA-N 349.450 1.817 0 40 EDAB O=C(Cn1cnc2ccc(F)cc2c1=O)NCCN1CCCCC1 40535701 RWMDFJXZOARGFI-UHFFFAOYSA-N 332.379 1.138 0 40 EDAB C[C@@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)N1C[C@@H](C)O[C@H](C)C1 40512360 UQCLTNQPNDOICL-BFHYXJOUSA-N 345.443 1.799 0 40 EDAB C[C@@H](C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1)N1C(=O)CCC1=O 51442849 XEZJYWWBKSFVOS-MEDUHNTESA-N 344.367 1.087 0 40 EDAB COc1cccc2[nH]c(C(=O)NCC(=O)NCc3ccco3)cc12 20727903 LXPYWLRSIRZOPX-UHFFFAOYSA-N 327.340 1.816 0 40 EDAB COc1cc2nc(NC(=O)c3ccc(=O)[nH]n3)sc2cc1OC 21073980 WMGQNKVVMOYJLU-UHFFFAOYSA-N 332.341 1.649 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN(C)C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 102364607 VMLYVSMVWZBGLR-RWMBFGLXSA-N 335.477 1.960 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 41166955 JXURAPNSKKUHAX-CYBMUJFWSA-N 344.864 1.670 0 40 EDAB CSCC[C@H](NS(=O)(=O)c1ccc2nc(O)oc2c1)C(=O)O 41125013 LXJVNLWNCYFOCQ-VIFPVBQESA-N 346.386 1.018 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)c1C 541842 JXHXQGHZULGFSO-SFHVURJKSA-N 342.351 1.831 0 40 EDAB CCn1nc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)c2ccccc2c1=O 53373982 SCRWCCJNXLLNKJ-LSDHHAIUSA-N 327.384 1.810 0 40 EDAB COC(=O)Nc1ccc(CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 53595897 FUUGGTJQXBRYRF-ZDUSSCGKSA-N 333.388 1.738 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ncccn2)C1 54016744 AAGBXHHHXBPWJO-OLZOCXBDSA-N 349.435 1.475 0 40 EDAB C[C@@H]1COCCN1C(=O)CCc1nc2ccccc2c(=O)n1C1CC1 47449696 RTYDOWYRAHFLSB-CYBMUJFWSA-N 341.411 1.911 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 42869632 YTCCEGFJAROYSH-ZIAGYGMSSA-N 342.392 1.096 0 40 EDAB C[C@H]1COCCN1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 43099817 BAPJXMIEOXVCBV-KBPBESRZSA-N 339.461 1.552 0 40 EDAB CCOC(=O)[C@@H]1Cc2c([nH]c(=O)[nH]c2=O)O[C@@]1(C)c1ccccc1 1575191 SAIYLRKUDSGUIQ-SJCJKPOMSA-N 330.340 1.093 0 40 EDAB CCOC(=O)[C@@H]1CN(C(=O)c2ccco2)CCN1C(=O)c1ccco1 78879271 GELXBLZUQMRYBR-LBPRGKRZSA-N 346.339 1.403 0 40 EDAB COc1ccccc1OCCN1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 78900516 NBKALRGJXAINHC-CYBMUJFWSA-N 344.415 1.776 0 40 EDAB O=C(NCCc1ccc(-n2cccn2)cc1)NC[C@@H]1CCC[C@@H]1O 78951472 ZLFWOUKFCMWGCQ-RDJZCZTQSA-N 328.416 1.875 0 40 EDAB CCCCC[C@@H](C)CC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 79585535 CXVITJMJXYRSIL-ZIAGYGMSSA-N 333.498 1.625 0 40 EDAB Cc1csc(N2CCN([C@@H](C)C(=O)Nc3ncccn3)C[C@H]2C)n1 106775759 FBOUGAWCTIDFMJ-OLZOCXBDSA-N 346.460 1.779 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)NC(C)C)c1 25301497 FMJZXCJUYVLQRF-OAHLLOKOSA-N 346.431 1.957 0 40 EDAB C[C@H](NC(N)=O)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 56094805 VHEOSKZXAWBPOR-JTQLQIEISA-N 340.374 1.102 0 40 EDAB O=C(CCC(=O)OCC(=O)Nc1ccc(F)cc1)NCc1ccco1 7939719 HNWWRHFWRLWCNW-UHFFFAOYSA-N 348.330 1.997 0 40 EDAB COc1ncccc1CNC(=O)N1CCN(c2nccs2)CC1 26384458 DOSFIIYCGXCYPF-UHFFFAOYSA-N 333.417 1.579 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1C 26957564 IOSNLMHNMNHKTR-INIZCTEOSA-N 340.489 1.939 0 40 EDAB COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc(OC)cc1OC 9225271 BKIXVYYLTRMMTE-NSHDSACASA-N 348.355 1.225 0 40 EDAB COc1c(CNCc2ccc(Cn3cncn3)cc2)c(C)nn1C 58292652 NOBGPDZCAWSEJP-UHFFFAOYSA-N 326.404 1.667 0 40 EDAB Cc1noc(CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)n1 27717258 LCGCEKMJMVKCMN-HNNXBMFYSA-N 344.371 1.004 0 40 EDAB CCO[C@H](C)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 44977307 VUWWSVIOHFGQQZ-LLVKDONJSA-N 326.343 1.674 0 40 EDAB CCCC(=O)N1CCC[C@@H]1C(=O)NC1CCN(C(=O)C2CC2)CC1 44979671 LHMVQPJROJCSFS-OAHLLOKOSA-N 335.448 1.295 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCCCNC1=O)c1ccc2c(c1)OCCCO2 44968085 BPZJLZMPCCGCBW-GXTWGEPZSA-N 347.415 1.877 0 40 EDAB NC(=O)NC(=O)CCn1nc2c3c(cccc31)C(=O)c1ccccc1-2 58366986 XAZSFULBDIQGMN-UHFFFAOYSA-N 334.335 1.833 0 40 EDAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 58355363 OJDVWHGEVNOQTF-OAHLLOKOSA-N 331.416 1.180 0 40 EDAB C[C@H]1CN(C(=O)CCn2nc(-c3cccs3)oc2=O)[C@H](C)CO1 45448520 FJMKDCWCDCZAGL-MNOVXSKESA-N 337.401 1.591 0 40 EDAB Cc1nc2c(cc1C(=O)NCCCN1CCCC1=O)c(C)nn2C 36754447 IHBLHBFANMCJGE-UHFFFAOYSA-N 329.404 1.327 0 40 EDAB COc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)s1 45791215 MOKYNZVTXCIBIF-UHFFFAOYSA-N 340.426 1.377 0 40 EDAB Cn1cc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c2ccccc21 29192018 ABFJUICHJFHKGC-GFCCVEGCSA-N 335.429 1.332 0 40 EDAB C[C@@H](NC(=O)N1CCCCCC1)c1cccc(S(N)(=O)=O)c1 54073661 DFFNQEYSQRSQHR-GFCCVEGCSA-N 325.434 1.981 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)NCc1ccc(-n2cncn2)nc1 45928807 PRJDIVKWQKEJEO-CQSZACIVSA-N 330.392 1.230 0 40 EDAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2[C@@H]3CC[C@@H]2COC3)cc1 101467021 ZYGOKBUOOLOFAM-HUUCEWRRSA-N 337.441 1.801 0 40 EDAB O=C(NCc1ccc(OCC2CC2)nc1)C1(C(=O)NC2CC2)CCC1 84425562 ZMBOSERUDIVCRD-UHFFFAOYSA-N 343.427 1.936 0 40 EDAB O=C(NCCNC(=O)c1ccc(Cl)cc1)NCCn1cccc1 84416087 AKSWYUGRAAUSOZ-UHFFFAOYSA-N 334.807 1.871 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2ccccn2)CC1 48350075 YVXDUYOZOAJXRI-HNNXBMFYSA-N 345.447 1.632 0 40 EDAB Cc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1F 3411902 FQMLEUBEPBMQDR-UHFFFAOYSA-N 327.315 1.776 0 40 EDAB COc1ccc(-n2nnnc2SCC(=O)NC[C@@H]2CCCO2)cc1 3501830 VKTYNHMULSNRJB-ZDUSSCGKSA-N 349.416 1.058 0 40 EDAB Cn1ccnc1COc1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1 48684163 GDVWZOMWXTWENS-AWEZNQCLSA-N 335.429 1.276 0 40 EDAB COc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1OC(F)F 13006971 XZDXVBDVMNHKNG-QMMMGPOBSA-N 335.328 1.670 0 40 EDAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)CS(=O)(=O)N(C)C 96010467 QBWDPEFIQDBJMR-ZDUSSCGKSA-N 334.441 1.778 0 40 EDAB Cc1[nH]cc(C(=O)N(C)CCOCC2CC2)c(=O)c1Br 96004812 KBSVDDPQLBJDNL-UHFFFAOYSA-N 343.221 1.944 0 40 EDAB CN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(C[C@H]1CCCO1)C2=O 4239897 VWAJTIYWVJIEIR-CJNGLKHVSA-N 327.384 1.658 0 40 EDAB COc1ccc(CNC(=O)CCN2C(=O)NC(C)(C)C2=O)cc1OC 9256126 LHUQIWAMJHOBEC-UHFFFAOYSA-N 349.387 1.041 0 40 EDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1ccccc1 4495293 SWKDZWFBZGNUCL-UHFFFAOYSA-N 344.392 1.859 0 40 EDAB COc1cccc(C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)c1 65542537 MFVMSXHUJQTYHE-AWEZNQCLSA-N 340.445 1.629 0 40 EDAB Cc1ccccc1N1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 9322622 CJAONVJURZPUSL-UHFFFAOYSA-N 334.445 1.846 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)N1CCN(c2ccccc2F)CC1 67125646 LUBSJDHXQRIFDT-UHFFFAOYSA-N 337.395 1.999 0 40 EDAB CCOc1ccc(Cl)cc1CCNC(=O)Cn1nc(C)ccc1=O 95440549 BOENOKDQLLGOPP-UHFFFAOYSA-N 349.818 1.963 0 40 EDAB COC(=O)[C@H](NCC(=O)NC(=O)Nc1ccccc1)c1ccccc1 68454293 NKQDBRVWZNTFNS-MRXNPFEDSA-N 341.367 1.839 0 40 EDAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(C(=O)NC2CC2)cc1 22193252 NHHATICLUIIOEV-UHFFFAOYSA-N 329.356 1.056 0 40 EDAB CS[C@@H](C)C(=O)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 71858684 PGUCGBBTSNIQGV-QWHCGFSZSA-N 342.486 1.707 0 40 EDAB OC[C@H]1CCCN1c1cc(NCc2ccc3c(c2)OCCO3)ncn1 71859433 JTXMAPIPYWOVMJ-CQSZACIVSA-N 342.399 1.821 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCCC[C@H]1Cn1cc(C)cn1 71866008 YQVWKJCZVRHUEP-GJZGRUSLSA-N 341.477 1.786 0 40 EDAB O=C([C@H]1CCOC1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 71834617 FUBVAOCZLDIRDI-HNNXBMFYSA-N 332.400 1.139 0 40 EDAB NC(=O)[C@H]1CC(C(=O)N2CCCc3ncccc32)=NN1c1ccccc1 69488656 JPLHMAQIQKCXBF-QGZVFWFLSA-N 349.394 1.481 0 40 EDAB C[C@@H]1CN(Cc2nnc(C3CC3)n2C)CCN1Cc1nccn1C 69463561 ISHTYICXDNQOKL-CYBMUJFWSA-N 329.452 1.132 0 40 EDAB CN(C)[C@]1(C(=O)NCc2nc(C3CC3)no2)CCc2ccccc21 69416943 KBYHAKQKQXCBBQ-GOSISDBHSA-N 326.400 1.967 0 40 EDAB O=C([C@@H]1CSCN1C(=O)C1CCC1)N1CCCN2CCC[C@@H]2C1 69534354 TTZBCSVSHRGCBU-CABCVRRESA-N 337.489 1.385 0 40 EDAB Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2nnc(S(C)(=O)=O)[nH]2)s1 69518522 WZGXHBCVCRNSPI-SFYZADRCSA-N 326.403 1.320 0 40 EDAB COc1ccc(-n2cnnc2SCC(=O)NC[C@H]2CCCO2)cn1 69569818 RWLUFBYETCYTIW-GFCCVEGCSA-N 349.416 1.058 0 40 EDAB NC(=O)c1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 91766508 VKMVJMDPIUTUEC-IAQYHMDHSA-N 347.321 1.407 0 40 EDAB COc1ccnc(N2CCN(CCC(=O)Nc3ccccc3)CC2)n1 69620042 GEKMRCOVDXLOTK-UHFFFAOYSA-N 341.415 1.636 0 40 EDAB CC(C)N(C(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1)C(C)C 69653438 XXDSWPBEOGXQHG-LJQANCHMSA-N 347.503 1.983 0 40 EDAB Cn1ccnc1CN1CCN(C[C@@H](O)COc2ccccc2F)CC1 69626590 CVSDCKKLVVHZLK-OAHLLOKOSA-N 348.422 1.117 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)N2CSC[C@@H]2C(=O)N(C)C)cc1 69619725 ANTDJPCYKPHZQM-VIIAAUOXSA-N 348.424 1.476 0 40 EDAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CCn2cncn2)C1=O 69618177 BGQVVKQNSONMMV-SFHVURJKSA-N 335.367 1.899 0 40 EDAB Cc1nc(CN2CCC[C@H](NCc3nc(-c4ccoc4)no3)C2)no1 69661290 SFXJNHBJCHGSLO-ZDUSSCGKSA-N 344.375 1.775 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](n4ccnc4C)C3)nc2n1 69659214 PXOKPMMFXZZWQY-CQSZACIVSA-N 339.403 1.723 0 40 EDAB C[C@H](SCc1cccc(F)c1F)C(=O)N[C@@H]1CCS(=O)(=O)C1 9690743 HUAKVYVXURVDMI-GXSJLCMTSA-N 349.424 1.890 0 40 EDAB O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@H](O)Cn2cccn2)C1 69892628 QKJBXLVNWGUIBD-WBVHZDCISA-N 328.416 1.595 0 40 EDAB COc1cccc([C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O)c1OC 8700656 MCPTUOMSLUEKNA-VXGBXAGGSA-N 341.360 1.715 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCN(c2ncnc3c2CCCC3)CC1 97047833 JVKLYOSKJDPEEI-UHFFFAOYSA-N 339.399 1.006 0 40 EDAB COc1ccc(OC)c(C(=O)N2CCC(OCCN(C)C)CC2)c1 72280942 SGYQDQZPWMALDE-UHFFFAOYSA-N 336.432 1.887 0 40 EDAB CCNC(=O)COc1ccc(CN2C[C@H](CN)C[C@@H]2C)cc1OC 97165820 IVECRMZXKBLFQA-ZFWWWQNUSA-N 335.448 1.379 0 40 EDAB Cc1cccc(CN(CCN(C)C)S(=O)(=O)[C@@H]2CCO[C@@H]2C)c1 97166229 NLWOFPFCXFQOSS-NVXWUHKLSA-N 340.489 1.866 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1cccnc1OCC(F)(F)F 97197556 INPJAQKZLCKQDC-SNVBAGLBSA-N 340.305 1.964 0 40 EDAB CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cnn(C(C)C)c1 72300168 ZMCJMYWBYXOSQJ-UONOGXRCSA-N 326.466 1.711 0 40 EDAB O=S(=O)(c1ccc(CN2CCn3ccnc3C2)o1)N1CCCC1 97201642 QNXRQNFIBOSQLE-UHFFFAOYSA-N 336.417 1.276 0 40 EDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CCCCCC1 9905957 PPCBMHHWEXJHJN-UHFFFAOYSA-N 344.459 1.913 0 40 EDAB CCN(c1ccc(Br)cn1)S(=O)(=O)c1cnn(C)c1 75142832 CFXWWSVEKJFOTJ-UHFFFAOYSA-N 345.222 1.793 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)CCO2)n1 76045248 VTRYUAWDDHTROM-CVEARBPZSA-N 342.399 1.634 0 40 EDAB C[C@@H](C(=O)NC1CCCCC1)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 76059542 CWWAIQOZYUAMCY-STQMWFEESA-N 347.463 1.525 0 40 EDAB C[C@H]1CN(CCCNC(=O)c2n[nH]c(=O)c3ccccc23)C[C@H](C)O1 23509271 LOBJSLPFXRBJPC-STQMWFEESA-N 344.415 1.152 0 40 EDAB O=C(Nc1nccs1)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 408736965 KHLPMOCNVJKVKO-STQMWFEESA-N 347.396 1.854 0 40 EDAB NC1CCN(C(=O)c2ccccc2I)CC1 36753500 KRXGWLILMCUYFR-UHFFFAOYSA-N 330.169 1.855 0 40 EDAB COc1cc(S(=O)(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)ccc1C(=O)O 530154242 RWEWRDAHCLSVFN-JIXVBMEVSA-N 343.401 1.484 0 40 EDAB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 121593807 UBTMEMISPPCIRB-UHFFFAOYSA-N 338.360 1.995 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NCCO)ccc1NC1CCCC1 217589306 AQIBFGNTKXEQTP-UHFFFAOYSA-N 328.390 1.010 0 40 EDAB O=C(COCc1ccccc1)NCC1(OCCO)CCSCC1 1565523442 OZXHOBDBMFVHEF-UHFFFAOYSA-N 339.457 1.594 0 40 EDAB CCn1cc([C@@H]2CN(C(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)CCO2)cn1 189506843 DTSQQZXLOCKICW-QRTARXTBSA-N 347.463 1.611 0 40 EDAB CC1CCN(c2ccc(=O)n(CC(=O)Nc3cccnc3)n2)CC1 71284737 ARFSQFSPLNIDBX-UHFFFAOYSA-N 327.388 1.513 0 40 EDAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 1541066027 ZTDRGRDCIGLMCN-HNNXBMFYSA-N 327.384 1.694 0 40 EDAB Cc1nc(C2CC2)ccc1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[nH]1 563269402 NHQJOBCFNQOTET-CQSZACIVSA-N 326.404 1.786 0 40 EDAB CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCn1ccnc1 225639509 PKNQFTAEXZNBOI-UHFFFAOYSA-N 342.442 1.541 0 40 EDAB Cc1cccc(OCc2cn(CC(=O)Nc3cc(C)n(C)n3)nn2)c1 227161145 OMTCYKRXILRVEV-UHFFFAOYSA-N 340.387 1.846 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCN[C@@H](c2cccc(F)c2)C1 328665019 YYKKAAVFMMZTOW-SWLSCSKDSA-N 340.420 1.123 0 40 EDAB CCS(=O)(=O)c1cccc(S(=O)(=O)N(C)c2ncccn2)c1 225754010 QHRMKLBFIPIWGI-UHFFFAOYSA-N 341.414 1.095 0 40 EDAB O=C1CC[C@H](NC(=O)c2ncc3c(F)cccn23)[C@@H]([C@@H]2CCCO2)N1 529403182 SETWTODJPCBXQQ-WHOFXGATSA-N 346.362 1.029 0 40 EDAB NC(=O)C1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 40510366 BGACMQIANXSIGO-UHFFFAOYSA-N 333.779 1.258 0 40 EDAB C[C@@H]1CC(F)(F)CCN1S(=O)(=O)c1ccc(OCC(=O)O)cc1 530151116 BZXOTRQTNLOCCY-SNVBAGLBSA-N 349.355 1.958 0 40 EDAB COc1cc(C(=O)O)ccc1S(=O)(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 530154671 VJKRUKXVXDKJGL-JIXVBMEVSA-N 343.401 1.484 0 40 EDAB NC(=O)c1ccc(NC(=O)c2cc(N3CCCCC3)ncn2)cc1 225537884 PUKSIGKSTGVMNG-UHFFFAOYSA-N 325.372 1.818 0 40 EDAB Cc1cc(C)cc([C@H](NS(=O)(=O)[C@@H]2CCO[C@@H]2C)C(=O)O)c1 575293594 HPXYLKXZWWRDQU-BNOWGMLFSA-N 327.402 1.526 0 40 EDAB COCCc1nsc(N2CC[C@@H](Oc3cccnc3N(C)C)C2)n1 225575511 DNBVHUAHCAQXFB-GFCCVEGCSA-N 349.460 1.846 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 576276269 BTYGCIHJPPRIEF-GFCCVEGCSA-N 341.364 1.362 0 40 EDAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1cc(C)on1 96045363 WHZHYDBMBZMGNH-CQSZACIVSA-N 331.376 1.371 0 40 EDAB Cc1nccn1-c1cccc(N[C@H](C(=O)N2CCOCC2)C(C)C)n1 97230227 NVMUMJAJZYZUBL-KRWDZBQOSA-N 343.431 1.871 0 40 EDAB COCCN1CCOC[C@@]2(CC[C@H](CN(C)Cc3cccnc3)O2)C1 96160647 FNNWWUWDPQERJP-RTBURBONSA-N 349.475 1.410 0 40 EDAB CN(C)C(=O)CO[C@@H]1COC2(CCN(Cc3nccs3)CC2)C1 96047823 LXWKSFCTHLAHAT-ZDUSSCGKSA-N 339.461 1.371 0 40 EDAB O=C(O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)nc1 1595221027 OKMKAJSSUUGCPW-CQSZACIVSA-N 346.364 1.179 0 40 EDAB COCC[C@@H]1CO[C@@]2(CCCN(C(=O)c3cnn4cccnc34)C2)C1 96073417 KRHZZEMRTDGFIN-KSSFIOAISA-N 344.415 1.777 0 40 EDAB O=C(c1ccnnc1)N1CCc2ncc(CN3CCCCC3)n2CC1 96067900 WSTPUDUJSSLBFX-UHFFFAOYSA-N 340.431 1.358 0 40 EDAB O=C(NCCCO)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 230196071 NRPMKRZHVSAJJP-RCCFBDPRSA-N 331.460 1.969 0 40 EDAB C[C@H]1CN(C(=O)c2ccccc2OCc2nnnn2C)C[C@H](C)O1 96192610 TVPIOFGVVZPLJO-RYUDHWBXSA-N 331.376 1.039 0 40 EDAB CCOC(=O)c1cnc2c(cnn2C)c1NCc1cnn(C)c1C 97379738 YERLBCOXRHCBBA-UHFFFAOYSA-N 328.376 1.799 0 40 EDAB CCCS(=O)(=O)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 96042260 HKUBHDMGXVYSEZ-HRCADAONSA-N 340.445 1.570 0 40 EDAB C[C@H](NCCS(=O)(=O)N1CCSCC1)c1ccc(F)cc1 96477302 MKGXPEREMMHZRT-LBPRGKRZSA-N 332.466 1.855 0 40 EDAB O=c1ccc(-c2ccccc2F)nn1CCN1CCCS1(=O)=O 91596807 JADXAQOBDOKWFY-UHFFFAOYSA-N 337.376 1.085 0 40 EDAB CC(C)CNC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCc2ccccc2)C1 96253458 HLEIMESYMLQAQC-IXDOHACOSA-N 345.443 1.758 0 40 EDAB CCOC[C@@H]1CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 583651961 WWPYUJPQOPITIK-GFCCVEGCSA-N 332.853 1.846 0 40 EDAB Cc1cnn(-c2ccc(C(=O)N3CC[C@](O)(c4cnn[nH]4)C3)cc2)c1 583618419 UUQBSDYZPYAKAB-QGZVFWFLSA-N 338.371 1.033 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 96444741 XMIPXQZECLDCJY-ZWNOBZJWSA-N 346.399 1.609 0 40 EDAB Cc1cc(C(=O)N2CCc3onc(CNc4ncccn4)c3C2)[nH]n1 96084827 ZUEHODQMFOYQQR-UHFFFAOYSA-N 339.359 1.307 0 40 EDAB COC(=O)[C@H]1[C@@H](CNc2ccccc2CS(C)(=O)=O)C1(F)F 585085434 NRTNCTJVEQZPFV-ZYHUDNBSSA-N 333.356 1.697 0 40 EDAB CO[C@]1(C(=O)N=c2nc(-c3cccnc3Cl)[nH]s2)CCOC1 585130240 LBCPFPXXEXWAGO-CYBMUJFWSA-N 340.792 1.419 0 40 EDAB CC[C@@H](OC)C(=O)Nc1ccc(Br)cc1-c1nn[nH]n1 585128774 NEBAURRBBXCFKT-SNVBAGLBSA-N 340.181 1.993 0 40 EDAB CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1F 247540874 SDKZLFZGOXEFOX-OBJOEFQTSA-N 340.420 1.897 0 40 EDAB CN(C)c1ccc(N2CCC(C)(C(=O)NC3CCOCC3)CC2)nn1 257315950 VDLOMVPCRMADTL-UHFFFAOYSA-N 347.463 1.444 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@H](Cc3nccn4cccc34)C2)no1 257228942 FVYGFCUBWSELLJ-CQSZACIVSA-N 340.383 1.962 0 40 EDAB CN[C@H]1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)OC[C@]1(C)O 257232623 GLRHGMBZSPMUIE-RDJZCZTQSA-N 336.407 1.560 0 40 EDAB Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)Cc2ccco2)C3)n1 253601609 UVDKRZLBFOYWFW-HNNXBMFYSA-N 343.383 1.760 0 40 EDAB CC(C)Oc1ccc([C@@H]2CNCCN2C(=O)CN2CCCC2=O)cc1 257266514 MDIIAXGBJVCGTK-KRWDZBQOSA-N 345.443 1.569 0 40 EDAB COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1ccc(Cl)cc1C 252495944 PDUGPJCAQJKSHS-NXEZZACHSA-N 347.820 1.906 0 40 EDAB O=S(=O)(c1ccccc1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257249482 JIOXOLZTRYWOCP-CQSZACIVSA-N 349.412 1.205 0 40 EDAB O=C(c1ccnc(N2CCCC2)c1)N1CCO[C@@H](c2cnccn2)C1 257278168 OBCZGFRTYTVTEP-MRXNPFEDSA-N 339.399 1.686 0 40 EDAB O=C(CCCn1ccnc1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257316381 VFJLYPNLQXQBDW-OAHLLOKOSA-N 345.403 1.019 0 40 EDAB CN(C)c1cccc([C@@H]2CN(C(=O)CCN3CCCC3=O)CCO2)n1 257217292 CYJOVJILKMJOFW-HNNXBMFYSA-N 346.431 1.060 0 40 EDAB O=C(Cc1cccs1)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 257239884 HRFGMSUQCNECNT-QZTJIDSGSA-N 342.464 1.921 0 40 EDAB CNc1cc(CC[C@H]2CN(C(=O)c3cccnn3)CCO2)ccn1 257244211 IKJXTSVKSYLIHW-AWEZNQCLSA-N 327.388 1.387 0 40 EDAB CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2c2cc(C)ncn2)n1 257306627 SVCDBXNAJSQMQB-QGZVFWFLSA-N 326.404 1.759 0 40 EDAB CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C)cc3)CCN2C(C)(C)C1 253395966 CWBOULGKBIERIQ-KRWDZBQOSA-N 329.444 1.762 0 40 EDAB biogenic,in-vitro CN1CCC(Cc2ccccc2)(C(=O)N[C@H]2CCCNC2=O)CC1 257233174 GOCTWJAAJCTPEH-INIZCTEOSA-N 329.444 1.336 0 40 EDAB Cc1nc(CC(=O)N[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)cs1 257211252 BYDDNUADCZWEBV-IIAWOOMASA-N 333.413 1.476 0 40 EDAB CN1C(=O)C2(CCN(Cc3ncc[nH]3)CC2)C[C@@H]1Cc1cnccn1 257273191 NFPFCTUFJRPNCZ-HNNXBMFYSA-N 340.431 1.255 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CCc3nnc(O)n3C2)cs1 1615590920 QYYGNOINJDGKDK-ZYHUDNBSSA-N 333.417 1.675 0 40 EDAB O=C1NCC[C@@H]1C(=O)N1C[C@H]2CC[C@]2(Nc2nc3ccccc3o2)C1 1615831910 FKRUAPSGIWOYLU-SOZUMNATSA-N 340.383 1.367 0 40 EDAB CC1CCN(C(=O)Cn2nnc([C@@]3(C(F)(F)F)CCCN3)n2)CC1 1616036793 YALYUZMFIBOPEE-CYBMUJFWSA-N 346.357 1.073 0 40 EDAB CC(C)N1C[C@@H](NC(=O)c2cncc(-c3cnn(C)c3)c2)CC1=O 606362577 PUXPEGSRNCBUQX-HNNXBMFYSA-N 327.388 1.221 0 40 EDAB Cc1ccccc1N1CCN(c2ccc(S(N)(=O)=O)cn2)CC1 22019221 QXMLTEBTUARQRT-UHFFFAOYSA-N 332.429 1.364 0 40 EDAB Cc1ccccc1OCC(=O)NCCn1ccnc1-c1ncccn1 96103894 NDJFJCLVBRLZOA-UHFFFAOYSA-N 337.383 1.844 0 40 EDAB O=C(NCCOCCn1cccn1)c1cncc(Br)c1 575620360 RYPTVJMWKHBXTJ-UHFFFAOYSA-N 339.193 1.487 0 40 EDAB CN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 575424401 KYOYEPWLZLKHHC-GFCCVEGCSA-N 337.850 1.538 0 40 EDAB COC[C@H](NS(=O)(=O)c1cncc(F)c1)c1cccc(OC)c1 585091900 CHLWUUXSPPNAKB-HNNXBMFYSA-N 340.376 1.895 0 40 EDAB COc1cc(C(=O)N2CC[C@](O)(COc3ccccc3)C2)ccn1 585277447 UWBLBBHAZDSSMP-GOSISDBHSA-N 328.368 1.746 0 40 EDAB Cc1ncc(C(=O)N2CCCN(C(=O)c3ccncc3)CC2)s1 69815374 UURXDPHDCFCUPP-UHFFFAOYSA-N 330.413 1.835 0 40 EDAB CC1(C)NC(=O)N(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1=O 71855231 URFRGZYUKLEALF-DZGCQCFKSA-N 332.400 1.772 0 40 EDAB CCCC(=O)N1CCC(Nc2cc(N3CCC[C@@H]3CO)ncn2)CC1 72276237 JXIVWVCSWLAXRX-OAHLLOKOSA-N 347.463 1.641 0 40 EDAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(C)=O)C1 19703419 VBTRGGLEEKYXLF-GOSISDBHSA-N 327.384 1.869 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)N[C@@H]1CCN2CCCC[C@H]12 47101678 BCNGEFPIZQMDSC-BZUAXINKSA-N 344.463 1.371 0 40 EDAB O=C(CN1CCN(CCCc2ccccc2)CC1)N1CCOCC1 53132814 NCGNXYHKMJHPLI-UHFFFAOYSA-N 331.460 1.096 0 40 EDAB Cc1csc(N2CCCN(C(=O)CN(C)c3cnccn3)CC2)n1 55759990 YIVCESZGEJTEMB-UHFFFAOYSA-N 346.460 1.417 0 40 EDAB Cc1cccc(N2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)c1C 57452440 JVLKCSRYXBEFDE-UHFFFAOYSA-N 342.443 1.023 0 40 EDAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CSc2nccc(=O)n2C1 85473915 QSVBRIXKSQWSEJ-SECBINFHSA-N 348.453 1.939 0 40 EDAB CC(C)c1nc2ccccc2c2nn(CC(=O)N3CCCC3)c(=O)n12 12183438 KDEBRLVGUZDUBJ-UHFFFAOYSA-N 339.399 1.790 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 12239419 FDCSEPBKHQVEFB-UKRRQHHQSA-N 341.411 1.406 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)nn12 12697703 ASTQQJXQOZDFNY-RAIGVLPGSA-N 345.403 1.530 0 40 EDAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)C3CC3)CC2)n1 13225780 PPBDFLWSRDETPT-UHFFFAOYSA-N 330.432 1.738 0 40 EDAB Cn1cc(CN(CCCN2CCOCC2)Cc2cccnc2)cn1 19290618 IGYUCRKYSKPYPC-UHFFFAOYSA-N 329.448 1.540 0 40 EDAB Cc1nc(-c2ccc(CNS(=O)(=O)N(C)C)cc2)ccc1C(N)=O 19700747 IJGRUCPBAQGRIW-UHFFFAOYSA-N 348.428 1.052 0 40 EDAB COCC(=O)N1Cc2nc3c(-c4ccccc4)c(C)nn3c(O)c2C1 100215234 AVBYEBUPNAJNNW-UHFFFAOYSA-N 338.367 1.899 0 40 EDAB Cc1ccc(S(=O)(=O)N2[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 514269697 KJCKSELTFQRCSN-KBPBESRZSA-N 338.429 1.987 0 40 EDAB O=C(CCOc1ccc(F)c(Cl)c1)NC[C@H]1CC[C@@H](CO)O1 558370771 JLQSPQICWRZFQO-NEPJUHHUSA-N 331.771 1.904 0 40 EDAB COc1cc(OC)nc(N2CCC(COc3cnccn3)CC2)n1 1889119648 SYIDAZWLEDOTRR-UHFFFAOYSA-N 331.376 1.579 0 40 EDAB CN(CC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O 22606417 COQQCOHWTYPCTM-UHFFFAOYSA-N 325.217 1.501 0 40 EDAB C[C@@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)NC1CC1 25115151 SHHJIBLUMBLDCX-GFCCVEGCSA-N 330.384 1.566 0 40 EDAB Cn1nc2c(cc1=O)C[C@@H](C(=O)Nc1ccc(-n3ccnc3)cc1)CC2 238846322 IKGULJMNJVALLC-ZDUSSCGKSA-N 349.394 1.710 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(c5ncncc5F)C[C@H]4C3)n1)CCC2 2086954049 FAZUGFFLNYJHQA-BETUJISGSA-N 340.406 1.775 0 40 EDAB CCN(C)C(=O)c1cnn2c1CN(C(=O)CC1(OC)CCC1)CCC2 1565544965 AYWVTWYFTZIJJA-UHFFFAOYSA-N 348.447 1.667 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C[C@H]3C2)cs1 1565542786 RWYJBOHVYMJNSV-HPCJDURASA-N 333.457 1.234 0 40 EDAB O=C(NCc1cccnc1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4272651 FLPVKDNJHDQJLG-AWEZNQCLSA-N 328.347 1.825 0 40 EDAB CCN1C[C@]2(COCCN(C(=O)[C@@]3(C)CC=CCC3)C2)OCC1=O 2055785624 RSLGGKOBYAJHFI-ROUUACIJSA-N 336.432 1.209 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@H]2NC(=O)CCc1ccc[nH]1 2055708103 IZDGYJDVOMHJMY-CQSZACIVSA-N 328.416 1.839 0 40 EDAB CCN=c1nc(N2CCN(c3nc(C4CC4)ns3)CC2)cc[nH]1 2086881888 VIKDRKSGGXLYMI-UHFFFAOYSA-N 331.449 1.386 0 40 EDAB COc1cncc(O[C@@H]2CCN(C(=O)COCc3ccccc3)C2)n1 225395756 RZQNQCGTPJDWSD-OAHLLOKOSA-N 343.383 1.682 0 40 EDAB COC[C@@](C)(CNC(=O)C(=O)Nc1cc(Cl)ccc1OC)OC 575613925 YEBDEXNJDYGPKE-OAHLLOKOSA-N 344.795 1.455 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CC(N3C(=O)[C@H]4C[C@H]4C3=O)C2)cc1 585388719 YBAJQWJZSAIZEZ-GASCZTMLSA-N 328.368 1.303 0 40 EDAB COc1cccc(N2C[C@H](C(=O)NCCCN3CCCC3)CC2=O)c1 40496188 CPPHQKACLVOPIM-OAHLLOKOSA-N 345.443 1.650 0 40 EDAB COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c(OC)c1OC 100794969 YJQUNMLPMGWNLY-JTQLQIEISA-N 347.367 1.905 0 40 EDAB biogenic Cn1ncc2c1CCC[C@H]2NC(=O)N[C@@H]1CCCc2c1cnn2C 31662128 FGSMKYBPOPDHSK-ZIAGYGMSSA-N 328.420 1.908 0 40 EDAB CCO[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)OC)cc2C)C1 51137392 YRAAVGPQPDNQIP-AWEZNQCLSA-N 341.429 1.971 0 40 EDAB CS(=O)(=O)NCCNC(=O)c1ccccc1Oc1cccnc1 52027389 OYWHOSASBGRGDK-UHFFFAOYSA-N 335.385 1.153 0 40 EDAB CN(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)C(C)(C)C 22471542 KUVDNPVDADFNPV-UHFFFAOYSA-N 344.415 1.548 0 40 EDAB CN(CC(=O)N(C)[C@@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 105761126 QDXGSXJAQNDUIX-GOEBONIOSA-N 336.457 1.251 0 40 EDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCO[C@H]2CCCC[C@H]21 106825382 MIHAMGAVUCVLNS-OAGGEKHMSA-N 330.432 1.863 0 40 EDAB O=C(COc1ccc(F)cc1F)N1CCN(c2cnccn2)CC1 25344850 OGORVPGAWVNQPV-UHFFFAOYSA-N 334.326 1.482 0 40 EDAB CCN1C(=O)[C@@H]2[C@H](c3cccs3)N[C@](CC)(C(=O)OC)[C@@H]2C1=O 4884743 GZXCRRNMERKSMR-YWDSYVAPSA-N 336.413 1.335 0 40 EDAB CCc1ccc([C@H]2[C@@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 4903990 KMYYBZLECFIGBN-IUVQAAGXSA-N 348.395 1.635 0 40 EDAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccco1 7952832 NWWFNWZETGQVLF-UHFFFAOYSA-N 341.367 1.453 0 40 EDAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCN(CCO)CC1 22030783 RCJASHRNEBEFTI-SJORKVTESA-N 336.476 1.550 0 40 EDAB COc1ncccc1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 58279544 GSJISQCWFKFYCJ-QGZVFWFLSA-N 340.339 1.397 0 40 EDAB CCS(=O)(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 58282985 SLMPGMLYIWNLAO-LBPRGKRZSA-N 329.441 1.578 0 40 EDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2cccc(C)c2)C(=O)N1 9926906 LWMXTIZSETVGKU-STQMWFEESA-N 336.413 1.487 0 40 EDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)[C@@H]1CCCO1 27909030 XSYDHIHXBBTPAD-SCRDCRAPSA-N 346.383 1.452 0 40 EDAB C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)n1cccn1 45054444 WHSJEBBILZGMMS-HNNXBMFYSA-N 340.427 1.723 0 40 EDAB CC(C)c1ccc(O)c(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1 58420479 AKZIBUXLYGJKCH-CYBMUJFWSA-N 340.445 1.669 0 40 EDAB CC(C)NC(=O)CN1CCC(C(=O)NCCc2ccccc2F)CC1 47936369 HTUSRUDOGPSKTD-UHFFFAOYSA-N 349.450 1.721 0 40 EDAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCCC1)cn2CC(=O)O 36358488 LYPJXXAHDPDVQW-INIZCTEOSA-N 332.356 1.956 0 40 EDAB NS(=O)(=O)[C@@H]1CCN(Cc2ccc(F)c(Br)c2)C1 84341285 VBISZVUJOQADCL-SECBINFHSA-N 337.214 1.451 0 40 EDAB Cc1ccc(OCC(=O)Nc2nnc(S(C)(=O)=O)s2)cc1C 27664692 FJGHAIQRUDOKSY-UHFFFAOYSA-N 341.414 1.576 0 40 EDAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N1CCOCC1 72406236 VZMZQODYDXFPCA-UHFFFAOYSA-N 333.775 1.423 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCCn2cccn2)[C@@H]1c1ccccc1F 57354936 PYRNHARXWHKXJP-PBHICJAKSA-N 344.390 1.748 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNC(=O)C2CCN(C(=O)C3CC3)CC2)C1 46881375 HZOGTRHRGCRYEE-GASCZTMLSA-N 335.492 1.729 0 40 EDAB Cc1noc(-c2ccc(C(=O)NCCCCN3CCOCC3)cc2)n1 47214477 WKHVGHIDGQLSKT-UHFFFAOYSA-N 344.415 1.887 0 40 EDAB Cc1cccc(Cn2ccc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)n2)c1 102015137 UZRFOVBQZBITPB-NXNVCVFFSA-N 337.379 1.907 0 40 EDAB Cc1ccc(CNC(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)o1 57355338 ABBCZVKWBSIZIF-UHFFFAOYSA-N 346.387 1.253 0 40 EDAB CC(C)(CNC(=O)Nc1cccnc1N1CCCC1)N1CCOCC1 48171633 OJNVHFQCBHOQED-UHFFFAOYSA-N 347.463 1.914 0 40 EDAB CCN1C[C@@H](CN(C)c2cncc3nnnn23)Oc2ccccc21 48286181 XGATYIVUGYQHDR-GFCCVEGCSA-N 325.376 1.243 0 40 EDAB Cn1cccc1[C@H]1CCCN1CCOc1ccc(S(N)(=O)=O)cc1 48272995 HFEYEVBPGLDBIJ-QGZVFWFLSA-N 349.456 1.888 0 40 EDAB CCCN(C(=O)c1cnn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 12793895 VTBPOFYNQPAPNF-CQSZACIVSA-N 348.428 1.307 0 40 EDAB Cc1ccc(C)c(N2C(=O)C[C@H](N3CCC4(CC3)OCCO4)C2=O)c1 104346109 WWBWZWOUIJAEQM-INIZCTEOSA-N 344.411 1.774 0 40 EDAB COc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)N2CCCCC2)cc1 3349545 NNWDDNNGHIGRAQ-AWEZNQCLSA-N 333.432 1.967 0 40 EDAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)N2CCNC2=O)o1 12897304 QSZWWCINBHKROA-SECBINFHSA-N 348.384 1.778 0 40 EDAB C[C@H]1CN(C(=O)CSc2nncn2-c2ccccc2)C[C@H](C)O1 3453111 IDVSYXBYGPVWGL-STQMWFEESA-N 332.429 1.995 0 40 EDAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CNC(=O)[C@@H]2C[C@H]2C)c(C)c1 12934750 NKZQZQDCESWNCM-IUODEOHRSA-N 345.443 1.781 0 40 EDAB CC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2 3894831 VBFVLEVYZWFTHF-UHFFFAOYSA-N 325.361 1.466 0 40 EDAB Cc1ccc(F)cc1C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 72535017 PVBBXBKWFIRNPB-GFCCVEGCSA-N 337.376 1.943 0 40 EDAB O=C(c1cccc(OCC(F)(F)F)n1)N1CCN(C2CC2)CC1 84425326 HZGVDFSOZNEVEM-UHFFFAOYSA-N 329.322 1.943 0 40 EDAB CC1(C)NC(=O)N(CCCN2CCN(c3ccccc3)CC2)C1=O 39005783 YNAGSXZAPLMBOB-UHFFFAOYSA-N 330.432 1.529 0 40 EDAB CC(C)N1CCN(C(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 13629688 OYNBGFMTYWJNSB-UHFFFAOYSA-N 336.461 1.894 0 40 EDAB O=C(COCCOc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O 95424032 SKKWAXCHUQATKD-KRWDZBQOSA-N 343.379 1.894 0 40 EDAB Cc1cc(Cn2nnc(-c3cccc(C(=O)OC(C)C)c3)n2)nn1C 95425858 COPXOSPRRNQPAI-UHFFFAOYSA-N 340.387 1.996 0 40 EDAB CN1CCN(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)CC1 13731232 UHSIOZCPILBCEV-UHFFFAOYSA-N 341.440 1.979 0 40 EDAB COC[C@@H](O)CN(C)C(=O)NCCc1cnn(-c2ccccc2)c1 65439766 XOTLHQHGQPIOFB-INIZCTEOSA-N 332.404 1.064 0 40 EDAB Nc1nc(N)nc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)n1 14109737 PALMQJUIVLSEKX-UHFFFAOYSA-N 345.344 1.107 0 40 EDAB Cc1ccc(CN(C)C(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)o1 14183411 OBSUGSXSHKQLBI-GASCZTMLSA-N 330.384 1.888 0 40 EDAB O=c1cc(CN2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)occ1O 84539011 IVQUOKWIULWCPW-LPHOPBHVSA-N 342.395 1.431 0 40 EDAB O=C(c1ccc(N2C(=O)c3nccnc3C2=O)cc1)N1CCCCC1 408977916 ZHOJSBBFPUWCCK-UHFFFAOYSA-N 336.351 1.903 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-c2nnnn2C)c1 14516859 WQLFSZQURYBKFH-JTQLQIEISA-N 340.343 1.227 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCC(N)=O)o1 5501185 WLOZTHIHZJDLPG-QMMMGPOBSA-N 328.394 1.719 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCn2c1nc1ccccc12 6672734 BWOKZKALOXDBDV-RYUDHWBXSA-N 329.404 1.869 0 40 EDAB O=C(CCc1nc(-c2ccccc2)no1)NCCN1CCOCC1 27773247 LXHUDWBHFUKXAW-UHFFFAOYSA-N 330.388 1.118 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccco1 6788174 WFUHUOXIVIPKQA-LBPRGKRZSA-N 342.351 1.530 0 40 EDAB CCN(C1CCN(C[C@H](O)c2ccccc2)CC1)S(C)(=O)=O 66882559 SHKQWKKKSPSKTA-INIZCTEOSA-N 326.462 1.466 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1 67201059 IGUIPYGROQKJPK-AWEZNQCLSA-N 344.411 1.836 0 40 EDAB Cc1oc(C(=O)NN2CCCCC2)cc1S(=O)(=O)N1CCCC1 95350652 TUOTUIMATCBQTI-UHFFFAOYSA-N 341.433 1.503 0 40 EDAB Cn1c(N2CCSC3(CCCCC3)C2)nc2c1c(=O)[nH]c(=O)n2C 80247266 RZSYZJVATZMKMP-UHFFFAOYSA-N 349.460 1.216 0 40 EDAB Cc1ccc(S(=O)(=O)NCCC(=O)NC2=NCCS2)cc1C 7238829 CEGLKONOYRGDPW-UHFFFAOYSA-N 341.458 1.191 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)n(C)c1 67858752 FMIYUHQQSHHVAQ-ZIAGYGMSSA-N 333.413 1.219 0 40 EDAB C[C@@H]1CCCC[C@H]1N(C)C(=O)COCC(=O)NCc1cccnc1 71888959 FABLCWMSCMAPJJ-GDBMZVCRSA-N 333.432 1.752 0 40 EDAB O=C(c1ccc(Cn2cncn2)cc1)N1CCC[C@H]1Cn1cccn1 71866348 RJMPHFYNICYSRB-KRWDZBQOSA-N 336.399 1.828 0 40 EDAB COc1ccc(C(=O)N2CCN(C[C@H](C)O)CC2)c2ccccc12 71871080 WTLLJJFFDIDVSO-AWEZNQCLSA-N 328.412 1.987 0 40 EDAB CCO[C@@H](CC)C(=O)NCc1ccccc1CN1CCN(C)CC1 71830047 RJSPAEPNDDHGNH-SFHVURJKSA-N 333.476 1.865 0 40 EDAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@H](C)c1ccco1)C2=O 7801579 AOGCGCSGSNDMNT-JKGQDXBKSA-N 348.403 1.462 0 40 EDAB CCS(=O)(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 68783220 LMLRINUBLCTAAF-UHFFFAOYSA-N 331.869 1.401 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)c(F)c1 83843702 MKGMJKORLMGGIE-UHFFFAOYSA-N 343.358 1.679 0 40 EDAB O=C(N[C@H]1CCCS(=O)(=O)C1)c1sccc1Br 69144809 OUJPTJPPDFYTKM-ZETCQYMHSA-N 338.248 1.818 0 40 EDAB COCCN1CCN(CC(=O)NCCc2ccc(F)cc2)C[C@@H]1C 70016628 SWGNDDHRLSQVKY-HNNXBMFYSA-N 337.439 1.137 0 40 EDAB O=C(NCCn1cccc1)N1CCOC[C@H]1C[C@H](O)c1ccco1 95440827 OGFVCZRVFJDZNO-CABCVRRESA-N 333.388 1.615 0 40 EDAB Cc1cn2nc(N3CCO[C@@H](Cn4nc(C)cc4C)C3)sc2n1 69349736 XALXUDKYMIPWEY-CYBMUJFWSA-N 332.433 1.818 0 40 EDAB COC(=O)c1ccc(C(=O)N[C@H]2CCN(c3cccnc3)C2)s1 69443145 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CS[C@H]1CCC[C@H]1N(C)C(=O)CN1CCN(c2ccccn2)CC1 74195238 PZRNQSVYCLQQFD-CVEARBPZSA-N 348.516 1.946 0 40 EDAB O=C(NCc1nnc2n1CCC2)N(C[C@H](O)c1ccccc1)C1CC1 95963486 LSMUHVKYVOWSQA-HNNXBMFYSA-N 341.415 1.632 0 40 EDAB CCc1ccc(CN2CCN(c3cc(C)nc4ncnn34)CC2)o1 95982547 DGMZSUDXUWVLSF-UHFFFAOYSA-N 326.404 1.910 0 40 EDAB CCn1ccnc1CN1CC[C@@H](N(Cc2noc(C)n2)C(C)=O)C1 89309999 OPWXEKNQLBCTIC-CQSZACIVSA-N 332.408 1.217 0 40 EDAB COC(=O)[C@H](NC(=O)C1=COCCC1)c1ccc(OC)c(OC)c1 75147793 CDJWBIPCSGNLJN-OAHLLOKOSA-N 335.356 1.728 0 40 EDAB Cc1ccn2cc(CNC(=O)c3nc4nc(C)cc(C)n4n3)nc2n1 89700967 WRGPWYWRIKTJRP-UHFFFAOYSA-N 336.359 1.022 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)C[S@@](=O)c2cccc(Cl)c2)C1 89774681 KCKDKKQZWUNQNU-UZJPJQLHSA-N 328.821 1.172 0 40 EDAB Cc1nc(CNC(=O)Cn2c(=O)cnc3ccccc32)sc1C 75337288 PRGIWNSAIGWPPW-UHFFFAOYSA-N 328.397 1.786 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2)c1 28323614 AVBNFGHEQLCXQC-UHFFFAOYSA-N 335.381 1.831 0 40 EDAB COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)CO 502713372 WRFPTTYFYTYRAC-IGCXYCKISA-N 345.399 1.456 0 40 EDAB COc1ccc(/C=C(\NC(C)=O)C(=O)NCCCCCC(=O)O)cc1 33895471 PUJJFYRIUAKNBK-VBKFSLOCSA-N 348.399 1.933 0 40 EDAB CCc1c(C)sc2ncn3c(=O)n(CC(=O)N4CCCC4)nc3c12 72335281 WBJAIIBWCAWSTR-UHFFFAOYSA-N 345.428 1.599 0 40 EDAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2N3C(=O)Cc2ccccn2)Nc2ccccc21 72327439 QIPUPJUECPGHCB-CFLQYTFWSA-N 348.406 1.939 0 40 EDAB Cc1nc(N2CCOCC2)ncc1-c1cc(=O)n(-c2ccccc2)[nH]1 72465368 QWFYOFASYDCYCO-UHFFFAOYSA-N 337.383 1.768 0 40 EDAB NCC(=O)N1CCC[C@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79412579 YQSZCXPKKINXLA-INIZCTEOSA-N 331.416 1.737 0 40 EDAB CCOCCCNc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)O 217573529 PXAVNMJPWXFDAR-UHFFFAOYSA-N 342.417 1.664 0 40 EDAB CN(C)C(C)(C)CNC(=O)[C@@H](Cc1ccccc1)N1CCCOC1=O 78418847 AYBFSWVPDBZVQP-MRXNPFEDSA-N 347.459 1.896 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2)C1 78602766 CWAZWRSKLBMQDJ-ZDUSSCGKSA-N 341.358 1.130 0 40 EDAB O=C(NC[C@H](O)c1ccco1)c1ccc(S(=O)(=O)C(F)F)cc1 78709771 JUCPVTOUVOFVSK-NSHDSACASA-N 345.323 1.739 0 40 EDAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 32736093 ZVOBTHTVPBHKCE-UHFFFAOYSA-N 347.396 1.474 0 40 EDAB CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC(=O)Cn1cn[nH]c1=O 189170177 HPPDKOSCMGNPBN-KGLIPLIRSA-N 330.388 1.072 0 40 EDAB CNC(=O)CCc1cc(C)nc(C2CCN(c3ncccn3)CC2)n1 72367012 XVRRBNOCZOLFIT-UHFFFAOYSA-N 340.431 1.638 0 40 EDAB CCN1CCN(c2ncc3c(n2)CN(c2ccc(F)cc2)C3=O)CC1 46088850 YAEHBYHHDVQTFV-UHFFFAOYSA-N 341.390 1.918 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)n1C 78406322 OHNYBJIYUZTFRK-UHFFFAOYSA-N 326.400 1.256 0 40 EDAB Cc1ccc(-c2nnsc2C(=O)NCCN2CCOCC2)cc1 225776612 MLWKBWCQQZHWTM-UHFFFAOYSA-N 332.429 1.576 0 40 EDAB Cc1c([C@H]2CN(C(=O)c3cc[nH]c3C(C)C)C[C@@H]2C(N)=O)cnn1C 527578775 ABPGBYSDXCJZQB-CABCVRRESA-N 343.431 1.521 0 40 EDAB CCC[C@H](Cc1ccccc1)NC(=O)N1CCN2C(=O)NC[C@@H]2C1 133461920 FUXWAYMARHMVJH-HZPDHXFCSA-N 330.432 1.817 0 40 EDAB O=C(NCc1ccc(F)cc1)N1CCC(C(=O)N2CCOCC2)CC1 40476306 CTHXQOADKIRUJO-UHFFFAOYSA-N 349.406 1.606 0 40 EDAB CO[C@H](CS(=O)(=O)N1CCCC[C@H]1C(=O)O)c1ccc(F)cc1 530139509 JOVNGQPWHQBKRH-UONOGXRCSA-N 345.392 1.782 0 40 EDAB C[C@@H]1CN(C(=O)NCCc2c[nH]c3ccccc23)CCS(=O)(=O)C1 192142022 FTYZAPNPXBKONN-CYBMUJFWSA-N 349.456 1.787 0 40 EDAB O=C(NCc1nccc(N2CCOCC2)n1)c1ccc(F)cc1F 96120878 RQADKSSMMJKDIT-UHFFFAOYSA-N 334.326 1.521 0 40 EDAB COC[C@@H]1c2nnn(C)c2CCN1C(=O)CCc1ccccc1C 96045267 NTIDYYXITGKRIQ-MRXNPFEDSA-N 328.416 1.829 0 40 EDAB Cc1noc([C@@H]2CCO[C@@H]3CCN(C(=O)Cc4ccccn4)C[C@@H]32)n1 96066372 CPSRYZKOZVEWSL-BZUAXINKSA-N 342.399 1.737 0 40 EDAB CCn1cc(S(=O)(=O)N2C[C@H](N(C)C)CCc3ccccc32)cn1 585122495 QOQVIRXLTUJJPX-OAHLLOKOSA-N 348.472 1.975 0 40 EDAB COc1cccc(C(=O)NC2CCN(C3CCOCC3)CC2)c1O 585131088 LHSAFFQZZNJVKX-UHFFFAOYSA-N 334.416 1.774 0 40 EDAB CCn1nccc1C(=O)N1CCCN(Cc2c(C)noc2C)CC1 98211900 CIQYULMQSWYABJ-UHFFFAOYSA-N 331.420 1.856 0 40 EDAB Cc1cccc(C)c1OCCC(=O)N[C@@H](CO)[C@H](O)c1ccccn1 585134474 VMZKLNXCBKGUAY-FUHWJXTLSA-N 344.411 1.678 0 40 EDAB COc1ncccc1CN1C[C@@H]2C[C@H](CC(=O)N3CCCC3)O[C@@H]2C1 96220304 WIISFEUFXWPIJG-GVDBMIGSSA-N 345.443 1.692 0 40 EDAB CN(C)CCOC[C@H]1CN(C(=O)c2cccnc2)Cc2ccnn2C1 96044191 STODFCHLRPXYRV-HNNXBMFYSA-N 343.431 1.129 0 40 EDAB Cc1cnc(CNC(=O)[C@H]2C[C@H]3[C@H](CCN3CC3CCCC3)O2)cn1 96183737 LRMYSTCHOBKCBP-OKZBNKHCSA-N 344.459 1.823 0 40 EDAB CS(=O)(=O)c1nccn1Cc1cn(-c2ccc(Cl)cc2)nn1 96467323 RBBNZSHVKGDMKX-UHFFFAOYSA-N 337.792 1.569 0 40 EDAB CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)n2ccnc2)s1 94992927 BVKIWRWNOSXPGW-LBPRGKRZSA-N 334.401 1.868 0 40 EDAB NN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 1083103431 BPJOCLZZCJUZBP-QFBILLFUSA-N 346.390 1.727 0 40 EDAB Cn1cc(C(=O)N2CC[C@@H]3CNS(=O)(=O)[C@@H]3CC2)c2ccccc21 96145344 OAKMNYMNWYPFAS-MLGOLLRUSA-N 347.440 1.332 0 40 EDAB CCS(=O)(=O)N1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 96489613 UQQDAEUOKUVIOM-UHFFFAOYSA-N 334.445 1.544 0 40 EDAB CCc1cnc(N2CCC3(CC2)C[C@@H](N2CCOCC2)CO3)nc1 96158666 RYHFCCTUVNSWLU-MRXNPFEDSA-N 332.448 1.499 0 40 EDAB O=C(c1cnccn1)N1CCC2(CCN(C[C@H]3CCOC3)C2)CC1 96157659 SFBGTYLCUIJRMU-OAHLLOKOSA-N 330.432 1.441 0 40 EDAB NC[C@]1(N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242648600 RDDKBKLXRXKVJK-XHSDSOJGSA-N 336.844 1.936 0 40 EDAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)N4CCOCC4)[C@@H]32)Oc2ccccc21 248071424 YFOIXAIPVSGPGZ-TWILYEHCSA-N 327.380 1.905 0 40 EDAB C[C@H]1c2nc(C(=O)N(C)C)cn2CCN1Cc1ccc2c(c1)OCO2 247977715 IYTKCUVNTFFNET-LBPRGKRZSA-N 342.399 1.890 0 40 EDAB O=C(c1ccnnc1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 247865020 OGNPLGSAUJYIAN-ZDUSSCGKSA-N 328.397 1.651 0 40 EDAB Cc1cccc(Cl)c1S(=O)(=O)N[C@@]1(CC(=O)O)CCOC1 1600536456 IJQCBGXEOKPQQG-CYBMUJFWSA-N 333.793 1.561 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1nccnc1-c1cncs1 257219477 DGXGPFHJWBGMPO-SNVBAGLBSA-N 339.446 1.543 0 40 EDAB CCc1nccn1CCC(=O)N1CCOC[C@H](Cc2ccncn2)C1 257262752 LMRUYXAVLSVVGY-OAHLLOKOSA-N 343.431 1.343 0 40 EDAB CN(C)C(=O)CN1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1 257306455 SUIOKNCAWZXPSO-ICSRJNTNSA-N 345.487 1.219 0 40 EDAB 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CNc1cc(N2CCC[C@@](O)(CNC(=O)c3ccsc3)C2)ncn1 257333964 YDXCTKSVINPFCF-MRXNPFEDSA-N 347.444 1.341 0 40 EDAB CCn1cc(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)c(C)n1 257312342 UNMNIWNQAXZQET-ZDUSSCGKSA-N 329.404 1.825 0 40 EDAB CNC(=O)c1cnn2c([C@H]3CCCN(c4ncccn4)C3)ccnc12 257308189 TVTSISUZCOLBRP-LBPRGKRZSA-N 337.387 1.263 0 40 EDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]21 257264735 LVVQBRBCPVADEV-QLFBSQMISA-N 326.404 1.047 0 40 EDAB Cc1nccc([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCO2)n1 257238631 HLWACUFUQCHIHE-HNNXBMFYSA-N 337.376 1.686 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(N)C(=O)O)cc1 252515163 HSHPLOPCHMUZAE-BFYDXBDKSA-N 331.393 1.717 0 40 EDAB COc1cc(OC)cc(S(=O)(=O)N2CC[C@H](C(=O)O)[C@@H](C)C2)c1 276099310 IQWWZWRTBXFTEA-HZMBPMFUSA-N 343.401 1.435 0 40 EDAB Cc1c([C@H](NS(=O)(=O)[C@H]2C[C@H]2c2ccccc2)C(=O)O)cnn1C 1615205058 TVVDCEQCVJNBKB-QEJZJMRPSA-N 349.412 1.330 0 40 EDAB COCc1nc(CN2C[C@H](N(C)C)C3(CCOCC3)C2)cs1 1615614870 JPESLUISCFZSQI-AWEZNQCLSA-N 325.478 1.832 0 40 EDAB Cc1cc(O)ccc1CC(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 1616037452 LGEDUFRKGDMUFJ-HXUWFJFHSA-N 338.407 1.899 0 40 EDAB Cc1cccc(OC[C@]2(O)COCCN(Cc3c[nH]nc3C)C2)c1 585277748 XNOVUEMDJVRWJG-GOSISDBHSA-N 331.416 1.669 0 40 EDAB Cn1cnc2c1[C@H](C(=O)NCC1CCC1)CN(Cc1ccccn1)C2 585110772 DOYIRODXLQZAJA-MRXNPFEDSA-N 339.443 1.831 0 40 EDAB CCOc1ccc(CCC(=O)N2Cc3ncn(C)c3C[C@H]2CO)cc1 585094809 NNWSRLUNLUMKRI-HNNXBMFYSA-N 343.427 1.697 0 40 EDAB CO[C@@H]1CCN(C(=O)CCN2CCOCC2)C[C@H]1Cc1ccccc1 585272341 NFZLIKUXCZGSAG-RTBURBONSA-N 346.471 1.815 0 40 EDAB CO[C@@]1(CC(=O)N2CCc3ccccc3C2)COCCN(C(C)=O)C1 585281344 WJPXQTBYAIKQLF-LJQANCHMSA-N 346.427 1.225 0 40 EDAB CNc1cc(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)ccn1 585276647 ONGLFMBDZHWUEG-SFHVURJKSA-N 327.384 1.779 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c1C 67827462 OXMVUBFDAULYCV-ABAIWWIYSA-N 327.384 1.989 0 40 EDAB Cc1ccc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1F 69744927 CFZUNTZVJSGVOG-UHFFFAOYSA-N 347.434 1.808 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)NCc1ccc(C(=O)O)cc1 72280284 AYBJVGRQEJDFAJ-UHFFFAOYSA-N 327.262 1.917 0 40 EDAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 54830393 JYMLVLMAXXDTFA-NSHDSACASA-N 330.381 1.725 0 40 EDAB Cn1ncnc1CN1CC[C@@H](Oc2ccncc2Br)C1 1776008867 QERTXAMETSVBEQ-SNVBAGLBSA-N 338.209 1.626 0 40 EDAB Cc1cccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1 48324921 ZXRAZLQUPRCJJX-FZKQIMNGSA-N 344.367 1.795 0 40 EDAB O=c1ccc(-c2ccccc2)nn1Cn1nnc2ccccc2c1=O 54658782 LJLTZZKIMFWITQ-UHFFFAOYSA-N 331.335 1.521 0 40 EDAB COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 78564824 LLLFRPVVKJNVLW-HNNXBMFYSA-N 346.431 1.466 0 40 EDAB Cc1nc(N(C)C2CN(c3ccc4nncn4n3)C2)c2ccncc2n1 585592408 DXIGSBPQKUWVHR-UHFFFAOYSA-N 347.386 1.096 0 40 EDAB CN(C)C(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21 5508862 ZUSYJYVNBZRSEJ-UHFFFAOYSA-N 337.379 1.300 0 40 EDAB C[C@H](Cn1nnc2ccccc21)NC(=O)Cn1nnc2ccccc21 12145038 YGVDRHUEMUGLFJ-GFCCVEGCSA-N 335.371 1.381 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1nc(-c2ccco2)cc(N)c1=O 12146636 ZAAALKNGMWSGEL-YPMHNXCESA-N 330.388 1.780 0 40 EDAB CCCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 16740338 BICPSEGSBGESJF-UHFFFAOYSA-N 325.434 1.361 0 40 EDAB Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccc(F)cc2)c1=O 19342455 HNBDZOANEWWTFN-UHFFFAOYSA-N 328.303 1.863 0 40 EDAB CC1=C(C(N)=O)[C@H](c2ccc(Br)cc2)N2NN=NC2=N1 71529 NLLNZSLZOIYPGR-JTQLQIEISA-N 335.165 1.807 0 40 EDAB CO[C@H]1[C@H](CNC(=O)Cc2cccc3cccnc23)COC[C@H]1OC 643585338 AAECDBUJWBKQPJ-MDZRGWNJSA-N 344.411 1.570 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(N(C)c2ccccn2)CC1 1889125179 FGYYDWSREZGRRW-UHFFFAOYSA-N 329.404 1.565 0 40 EDAB C[C@]1(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)CCS(=O)(=O)C1 23743539 XHFBHJQQBKOPKL-CFNZNRNTSA-N 349.861 1.807 0 40 EDAB COc1ccc2nnc(CNC(=O)NCc3ccc(Cl)cc3)n2n1 238809778 AAKPNMNFGPBIGR-UHFFFAOYSA-N 346.778 1.786 0 40 EDAB COC1(CNC(=O)C(=O)NCc2ccc(C)cc2)CCSCC1 252527747 DGDNZKKTROTABQ-UHFFFAOYSA-N 336.457 1.640 0 40 EDAB Cc1nc(C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)NCC3CC3)C2)cs1 1565548441 CYQYXJHRDYVZSF-GZBFAFLISA-N 349.456 1.455 0 40 EDAB COc1ccc(N2C[C@H](NC(=O)NCc3ccccn3)CC2=O)cc1 4272626 HCHMCIGCKHXVIE-CQSZACIVSA-N 340.383 1.695 0 40 EDAB CCn1c(=O)c2c(nc3n(C4CCCC4)c(C)c(C)n23)n(C)c1=O 4945209 QIYRXSHBSCEQMP-UHFFFAOYSA-N 329.404 1.901 0 40 EDAB O=C1O[C@@H](CNS(=O)(=O)c2cccnc2)CN1c1ccccc1 8808624 NMWWBZWLKBAEFY-ZDUSSCGKSA-N 333.369 1.385 0 40 EDAB CCCCNC(=O)Cn1c(=S)[nH]c2cc(C(=O)OC)ccc2c1=O 12415778 JUPRFFWQDPVZNG-UHFFFAOYSA-N 349.412 1.762 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCc1nnc(SCc2ccccc2)o1 35597106 UQGFPVSMHNPDCU-UHFFFAOYSA-N 344.396 1.832 0 40 EDAB O=C(NC1CCN(c2cnsn2)CC1)c1cnc2ccccc2n1 585148953 RKFJPSVUTFMBHN-UHFFFAOYSA-N 340.412 1.880 0 40 EDAB Cc1cc(OC2CN(C(=O)c3cc4ccccc4[nH]3)C2)n2ncnc2n1 618255406 CEWXCUZFWZFIRT-UHFFFAOYSA-N 348.366 1.817 0 40 EDAB C[C@H]1CN(C(=O)CN2CCC[C@@H](COc3cnccn3)C2)C[C@@H](C)O1 2298048296 NKQYWSXOUNGLJV-OWCLPIDISA-N 348.447 1.203 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 3886855 IZXNCTIKDNVKDB-NSHDSACASA-N 328.346 1.103 0 40 EDAB C[C@H]1CN(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cn2)C[C@H](C)O1 30018596 DYPAXEWEIWVWOP-STQMWFEESA-N 346.431 1.033 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(C)s1 30848396 CRIOEBPLOJJYGK-NSHDSACASA-N 326.418 1.490 0 40 EDAB COc1ccc(F)cc1CSCc1cc(=O)n2nc(N)[nH]c2n1 100710083 NNKJMRLTYRGZHS-UHFFFAOYSA-N 335.364 1.581 0 40 EDAB CCOc1ccccc1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 40515748 OZYGJFCFLFCQFR-CYBMUJFWSA-N 340.445 1.487 0 40 EDAB Cn1ccnc1CCNS(=O)(=O)c1ccccc1Br 40640823 NHZWLBNMMSXIJY-UHFFFAOYSA-N 344.234 1.704 0 40 EDAB Cn1c(=S)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c1=O 20758169 AUTISJFJHICKSH-ZDUSSCGKSA-N 328.397 1.865 0 40 EDAB biogenic COc1ccc(N([C@H](C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1 379394 CWEVWYKPPSINCV-CYBMUJFWSA-N 340.445 1.862 0 40 EDAB O=C(CNCCN1CCOCC1)Nc1ccccc1C(F)(F)F 21554615 MMQNPBJZDKZPMI-UHFFFAOYSA-N 331.338 1.566 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)OCc1nnsc1Cl 21604271 YXUUUCZCRLIPDY-UHFFFAOYSA-N 325.733 1.843 0 40 EDAB CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 32925042 BYODLVCPVWYYHV-UHFFFAOYSA-N 330.475 1.991 0 40 EDAB CC(C)[C@H](NC(=O)CN1CCOCC1)c1ccc2c(c1)OCCCO2 21842105 TWZDPZWFVQONDK-IBGZPJMESA-N 348.443 1.993 0 40 EDAB Cc1cccc(Cn2cnc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)c1 103155312 VUUDZOQXRNXWAO-KBXIAJHMSA-N 338.367 1.302 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCCc2ccc(F)cc2)C1 41648084 JIEPBQKWPAUOEN-CQSZACIVSA-N 343.424 1.091 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)CN2CCCC2=O)cc1OC 42063380 BRTRZGJKHPLKSK-CQSZACIVSA-N 332.400 1.990 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)N[C@H](C)Cn3ccnc3)CC2=O)c1 42535053 UGGWHZCJMQUADG-KGLIPLIRSA-N 342.399 1.450 0 40 EDAB COC(=O)[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(C)C 77547 RJLHJJDUJRUASU-CYBMUJFWSA-N 325.361 1.640 0 40 EDAB CN1N=C(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCC1=O 23639968 JTPZRZPCFMRBEN-UHFFFAOYSA-N 348.834 1.592 0 40 EDAB Cn1nnc(NC(=S)NC(=O)c2ccccc2Br)n1 558165 ZSMKWUQJUGQEQK-UHFFFAOYSA-N 341.194 1.099 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)Nc1nnc(-c2ccccn2)s1 47791150 QIYJKUSCHLSZDB-LLVKDONJSA-N 348.432 1.442 0 40 EDAB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nnc(C)c(=O)n12 1016923 YZHCCWJSNZIGGU-UHFFFAOYSA-N 333.735 1.414 0 40 EDAB COC(=O)C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc(C)cc1 24492999 AZUUFNAJQQWGKX-AWEZNQCLSA-N 331.372 1.324 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 43014415 CADVSLMPWNGEGF-JSGCOSHPSA-N 341.429 1.151 0 40 EDAB NC(=O)CC1CCN(C(=O)Nc2nnc(-c3ccccn3)s2)CC1 47791331 RHPWJTHIIJLWFU-UHFFFAOYSA-N 346.416 1.719 0 40 EDAB CC(=O)NCCC(=O)OCC(=O)c1ccc(NC(=O)CC(C)C)cc1 4339152 AJYGLJUJIFLXLI-UHFFFAOYSA-N 348.399 1.923 0 40 EDAB CN1C(=O)c2cccc3c(S(=O)(=O)NCCCC(=O)O)ccc1c23 4510633 FQFFNXBITSXSFI-UHFFFAOYSA-N 348.380 1.573 0 40 EDAB O=C(CN1CCO[C@H](Cn2cccn2)C1)N1CCC[C@@H]2CCCC[C@@H]21 106667320 NFDARPZBRCMYRB-BZSNNMDCSA-N 346.475 1.765 0 40 EDAB CCOc1ccc(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 72269483 QTWPPSSBDAZYPJ-ZWKOTPCHSA-N 332.444 1.685 0 40 EDAB CC(=O)N1CCCN(C(=O)c2ccc(Br)cc2O)CC1 44491259 VMYNMWJFDRMCQD-UHFFFAOYSA-N 341.205 1.849 0 40 EDAB O=C(CCN1C(=O)c2ccccc2C1=O)NCCc1cccc(O)c1 58179840 VGKMGKAAEVBEAD-UHFFFAOYSA-N 338.363 1.737 0 40 EDAB O=C(CN1C(=O)COc2ccc(Cl)cc21)NCCN1CCCC1 44895870 WAAWFEVPAVWYKZ-UHFFFAOYSA-N 337.807 1.277 0 40 EDAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCN1CCOCC1 27689564 KXHGRXFDMSOJFC-OAHLLOKOSA-N 349.456 1.328 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 44970751 XLEGINZSMHWEMA-NSHDSACASA-N 333.358 1.446 0 40 EDAB CCc1noc(CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)n1 58310765 PTHRTAKJDXGSDE-HNNXBMFYSA-N 336.298 1.877 0 40 EDAB COCCOCCC(=O)N1CCC(C(=O)NCc2ccco2)CC1 58393730 IGORQTNCWNJFGX-UHFFFAOYSA-N 338.404 1.188 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCCC(=O)N1CCCCCC1 58356160 ONMDVPCZSNJIHG-UHFFFAOYSA-N 331.416 1.325 0 40 EDAB CC(=O)N(C)C1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1 58005478 MJKHOPOAYGUKOE-UHFFFAOYSA-N 335.379 1.025 0 40 EDAB O=C(CCn1cc(Cl)cn1)Nn1c(S)nc2ccccc2c1=O 102003716 RNEHJISGBDKSRS-UHFFFAOYSA-N 349.803 1.696 0 40 EDAB CCOC(=O)/C=C/C(=O)O[C@@H](C)C(=O)c1ccc(NC(C)=O)cc1 10746944 VRNCWXNKSOARGQ-USKTWTLRSA-N 333.340 1.879 0 40 EDAB CCOC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10884274 LGSBXARQYBBWEB-UHFFFAOYSA-N 343.309 1.923 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CCN(c2cnccn2)CC1 28407711 LOTIPMSOBLZQEN-HNNXBMFYSA-N 339.399 1.312 0 40 EDAB Cc1nc(CNC(=O)N2CCN(Cc3ccncc3)CC2)cs1 45344857 WYMCBVOPBCCMQJ-UHFFFAOYSA-N 331.445 1.874 0 40 EDAB COc1ccc(CCN2C(=O)[C@@H](CCC(=O)NC(C)C)N=C2O)cc1 36589984 HDUJBASTYGFSNV-OAHLLOKOSA-N 347.415 1.667 0 40 EDAB COCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 36714359 VAPDQMDFRXYAHI-OAHLLOKOSA-N 328.368 1.609 0 40 EDAB C[C@@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)c1nncn1C 45754722 MPMWKMBFEUAALA-CYBMUJFWSA-N 343.435 1.235 0 40 EDAB CNC(=O)C1CCN([C@@H](C)C(=O)NCc2ccccc2Cl)CC1 29165663 BMURLZQCJJYOGK-LBPRGKRZSA-N 337.851 1.803 0 40 EDAB CC(C)CN1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)nc2)CC1=O 29781054 HQXUXHNZPTXDEU-AWEZNQCLSA-N 346.431 1.361 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N(C)C[C@H]1COc2ccccc2O1 46462753 DRSGSIYZRVHBIL-KGLIPLIRSA-N 330.388 1.753 0 40 EDAB O=C(CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21)Nc1ccccc1 2786014 ANPSMRSCUNPCAQ-HZPDHXFCSA-N 349.350 1.619 0 40 EDAB CCOC(=O)C1=CN/C(=C(\C)C(=O)OC)S[C@H]1C(=O)OCC 104317697 CDSGPNSMBUWSBF-UBYNWHESSA-N 329.374 1.106 0 40 EDAB Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)C2)ccc1Br 62132440 QERDNSIYTOIKNS-VIFPVBQESA-N 348.218 1.853 0 40 EDAB O=C(NCc1ccc(F)c(Cn2ccnc2)c1)NC[C@H]1CCOC1 48289636 KIGNJYHOBQHKRP-CQSZACIVSA-N 332.379 1.906 0 40 EDAB C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)c(OC)c1 12733159 KTZRAVBAQLJKHM-GFUIURDCSA-N 348.399 1.798 0 40 EDAB C[C@H]1C[C@@H](Sc2nc3ccccc3c(=O)n2CCCO)C(=O)O1 12771217 REVFRDWUKHXSIG-GXFFZTMASA-N 334.397 1.575 0 40 EDAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@@H]2CCOC2=O)c1 3387753 MEOLUKMSBZSJKV-CYBMUJFWSA-N 341.385 1.189 0 40 EDAB CCc1cnc(NC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)s1 95460973 LPKGETPAOZCFDU-VIFPVBQESA-N 332.451 1.238 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)COc1cccc(Br)c1 12901494 SFXRLSHGXFXMFG-VIFPVBQESA-N 329.194 1.469 0 40 EDAB O=c1cc(NCc2ccc(N3CCOCC3)nc2)nc2ccccn12 12901819 OTVHMXDSSDHFHI-UHFFFAOYSA-N 337.383 1.538 0 40 EDAB CS(=O)(=O)N[C@@H]1CCN(Cc2cc(Cl)cc3c2OCC3)C1 96008807 TXMNIJXNJZQBJT-CYBMUJFWSA-N 330.837 1.398 0 40 EDAB Cc1cccc(C(=O)OCC(=O)NC(=O)Cc2ccccc2)c1O 9256624 RATUUZRQNKQURN-UHFFFAOYSA-N 327.336 1.743 0 40 EDAB Cn1cnnc1SCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 5118725 VKRYABYKFXDZMR-UHFFFAOYSA-N 328.300 1.867 0 40 EDAB CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1 4356344 BPXYTVXFCIMWIP-UHFFFAOYSA-N 340.445 1.166 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1c(C)oc3ncn(C)c(=O)c13)C2 65458637 WATIRWLKXATHDI-NSHDSACASA-N 341.371 1.085 0 40 EDAB Nc1nonc1C(=O)NCCNCc1ccc(-c2ccccc2F)o1 4488488 IJUMMKDKDDPHLV-UHFFFAOYSA-N 345.334 1.571 0 40 EDAB CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1cccc(F)c1 65553838 AZTKHPCNVAHYSQ-GXFFZTMASA-N 346.449 1.804 0 40 EDAB CC[S@@](=O)c1ccccc1C(=O)N(C)Cc1nnc2n1CCC2 65554268 YNXCYNSVIHRXGC-QHCPKHFHSA-N 332.429 1.624 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(F)cc2)n(C)c1 14109078 BRCSKHIDIPNNEW-UHFFFAOYSA-N 325.365 1.002 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)NNc2ccc(F)cc2F)cc1 14196672 FLGRAJIEWSWIPN-UHFFFAOYSA-N 341.339 1.630 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(CC2CCOCC2)C1 84304146 GBRBDWGXYJOODB-MRXNPFEDSA-N 333.480 1.625 0 40 EDAB O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccccn2)CC1 6586864 HULVWXQYBLIYHY-MRXNPFEDSA-N 325.368 1.570 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)N(c2ccccc2)C(C)C)C1=O 66084208 XKQBKIBTNHRTIZ-QGZVFWFLSA-N 333.388 1.385 0 40 EDAB C[C@@H](OC(=O)c1cccc(Br)c1)C(=O)N1CCNC1=O 9479075 FSFNUGDOZFFKHS-MRVPVSSYSA-N 341.161 1.546 0 40 EDAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cnccn1 9478557 NXMBEHSMTJQFKF-UHFFFAOYSA-N 349.188 1.916 0 40 EDAB O=C(Nc1sc2c(c1C(=O)O)CCCC2)C(=O)N1CCOCC1 6764278 XODHDFQTOZYHSQ-UHFFFAOYSA-N 338.385 1.122 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(Cc1nc(N)c2ccccc2n1)C1CC1 97370600 AETGKTOLVPLXPN-NSHDSACASA-N 334.445 1.610 0 40 EDAB Cc1ccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c(F)c1 67557738 IWGZXDZXKWIHPI-NSHDSACASA-N 329.397 1.680 0 40 EDAB Cc1cnc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cn1 15717968 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c1cnn(C[C@@H]2CN(CCCOc3ccc4c(c3)OCO4)CCO2)c1 69391645 LGMRBQLYBKARQM-INIZCTEOSA-N 345.399 1.782 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)NCCc1cc(F)cc(F)c1 69325823 QBUONNMGDZBPFF-LBPRGKRZSA-N 331.388 1.414 0 40 EDAB CC(C)(C)CC(=O)NCC(=O)Nc1ccn(Cc2ccncc2)n1 69350127 VDUAPONRKNUDCF-UHFFFAOYSA-N 329.404 1.817 0 40 EDAB C[C@@H](OCC1CC1)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 69415772 FOQBPWCWSMIMRJ-CYBMUJFWSA-N 349.435 1.434 0 40 EDAB CCNC(=O)c1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)nn1 91627849 NIPZCFJEUWIING-GFCCVEGCSA-N 341.419 1.537 0 40 EDAB CCNC(=O)CN1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 69509303 OPGFLLFWVYAPOU-UHFFFAOYSA-N 330.388 1.030 0 40 EDAB CN(C)C(=O)CN(CCO)Cc1cc(Br)ccc1F 69654415 XFSANOXQDOHNSX-UHFFFAOYSA-N 333.201 1.471 0 40 EDAB C[C@H](O)CN1CCC(CN(C)[C@H](C(N)=O)c2ccc(F)cc2)CC1 69663494 SJTJMNBAVBNOJR-GUYCJALGSA-N 337.439 1.377 0 40 EDAB COc1ccc(CCC(=O)N[C@H](C)[C@@H](C)n2cncn2)cc1OC 69668987 HGFQVYUUIPWXGU-CHWSQXEVSA-N 332.404 1.994 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1ccc(C(=O)NC3CC3)cc1)CC2 69621736 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Cc1nc2n(n1)C[C@@H](NCc1ccc(OCCN(C)C)cc1)CC2 72288468 CRHRPILXEIZHQA-INIZCTEOSA-N 329.448 1.632 0 40 EDAB O=C(c1ccc(OCC2CC2)nc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269450 ZCYLAILSJHLAJZ-IAGOWNOFSA-N 345.443 1.542 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CCC2 72291473 DYKWFMAMGWSFRA-OAHLLOKOSA-N 338.429 1.395 0 40 EDAB O=C1Cc2cc(CCCC(=O)N[C@@H]3CCc4nccn4C3)ccc2N1 72273714 KPOHJAQIHZZZPD-OAHLLOKOSA-N 338.411 1.832 0 40 EDAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CC[C@H](CCO)C1 95979538 WIYSGQHBFQURJX-GFCCVEGCSA-N 333.354 1.836 0 40 EDAB Cc1cc(NC(=O)CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)n(C)n1 95984511 WZDMWVNTDPLFDI-LBPRGKRZSA-N 341.415 1.903 0 40 EDAB COC[C@H]1CN(C(=O)NCCc2c[nH]c3ccc(F)cc23)CCO1 74303804 BIZXKQHAQOQAMA-CQSZACIVSA-N 335.379 1.906 0 40 EDAB C[C@@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@@H]1O 89406592 PJUSGGGIHGVXSK-YGRLFVJLSA-N 337.807 1.713 0 40 EDAB Cn1cnnc1CCNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 75091930 JVGGCEFRJBYBGR-MRXNPFEDSA-N 345.422 1.668 0 40 EDAB 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O=C(c1cccc2c1OCCO2)N1CCC[C@H](Oc2cccnn2)C1 225456800 FQRMQXJEARGIBW-ZDUSSCGKSA-N 341.367 1.931 0 40 EDAB Cc1cc(N[C@H]2CCN(CC(F)(F)F)C2=O)ccc1-n1cnnn1 81151989 JYOXUCMTULCYGT-NSHDSACASA-N 340.309 1.546 0 40 EDAB O=C(C[C@H]1COC2(CCN(c3ncccn3)CC2)C1)N1CCCC1 96221968 HATHXDYBTIOPNL-OAHLLOKOSA-N 330.432 1.865 0 40 EDAB COC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)Cc2cncn2C1 96208132 ZBEBNMXGPAFQHA-LBPRGKRZSA-N 339.392 1.489 0 40 EDAB CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(F)c(C)cc2F)C1 95411712 WRCARHUIBWOQKU-JTQLQIEISA-N 332.372 1.427 0 40 EDAB O=C1NC[C@H](COc2ccccn2)[C@]12CCN(Cc1cccnc1)C2 96217584 CISZDVJZBZYPCA-VQIMIIECSA-N 338.411 1.494 0 40 EDAB O=C(NC1CCCCC1)NC1CCN(c2ncnc3[nH]cnc23)CC1 91458336 ZHBFBJULPNFEEQ-UHFFFAOYSA-N 343.435 1.954 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@@]3(CC[C@@H](Cn4cncn4)O3)C2)o1 96160562 GWRPCBRFCALIEP-WMLDXEAASA-N 346.387 1.270 0 40 EDAB COCCN1CCC[C@@H](NC(=O)N[C@H](C)Cc2c(C)noc2C)C1 96415566 CMCBYLFDYQXXAR-IUODEOHRSA-N 338.452 1.632 0 40 EDAB 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C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N1CCc2ccccc2C1 72309534 FNRJZWLEIBCNOR-KGLIPLIRSA-N 338.473 1.230 0 40 EDAB O=S(=O)(C1CCCCC1)N1CC(c2nc(-c3ncccn3)no2)C1 49482785 IFRMKPJKYPIWTR-UHFFFAOYSA-N 349.416 1.588 0 40 EDAB O=C1C[C@@H](C(=O)NCc2nnc3n2CCCCC3)c2ccccc2N1 54518051 KWIMZZDFNSIWCE-CYBMUJFWSA-N 339.399 1.747 0 40 EDAB O=C(NCc1ccccc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 54887468 YLUDHNGDNYXVFQ-INIZCTEOSA-N 331.416 1.467 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)NC2CCCCCC2)CC1 75170374 WESHURZEPALHPP-UHFFFAOYSA-N 331.482 1.680 0 40 EDAB CNc1cc(N2CCC[C@@H]2CNCc2c(C)nn(C)c2Cl)ncn1 75132708 DEHMEDANLCGTEG-GFCCVEGCSA-N 349.870 1.972 0 40 EDAB Cc1ccc([C@@H](CNC(=O)c2ccc(=O)[nH]c2)N2CCOCC2)o1 40477366 DWHFZMRWPLJJCF-CQSZACIVSA-N 331.372 1.080 0 40 EDAB Cn1cnc(CNC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)n1 92377545 XBVNUZWTWVZHEW-GJZGRUSLSA-N 329.404 1.613 0 40 EDAB O=C(Cc1cccc(Br)c1)NC[C@@]1(O)CCSC1 82965689 KUZHTBZABWZEPU-ZDUSSCGKSA-N 330.247 1.976 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1OC 5252797 OBBBWLSLIDXDGX-UHFFFAOYSA-N 348.380 1.999 0 40 EDAB COCCn1c(=O)n(CC(=O)Nc2ccc(F)cc2)c2cccnc21 12117510 ODCFQHPUKKOKIL-UHFFFAOYSA-N 344.346 1.622 0 40 EDAB Cn1nnc(-c2ccccc2NCc2ccc(OCCO)cc2)n1 12238311 RFGYFQXVFTZHTD-UHFFFAOYSA-N 325.372 1.860 0 40 EDAB Cc1cc(-c2cnc(N3CCNC(=O)C3)nc2-c2ccoc2C)on1 12252551 ATELVIBBERVYPK-UHFFFAOYSA-N 339.355 1.945 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 253472299 LGTNAASIKUDDHJ-DYVFJYSZSA-N 340.383 1.769 0 40 EDAB O=C([C@@H]1CCCN(c2ncc(Cl)cn2)C1)N1CCSCC1 1889095449 GLAGIXOYVRIBPJ-LLVKDONJSA-N 326.853 1.922 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@@](O)(COc3ccccc3)CC2)n1 2037905632 STDJYDFFDFZAJX-SFHVURJKSA-N 329.400 1.856 0 40 EDAB CC(C)NC(=O)C(=O)NCCCCN1CCO[C@H](c2ccccc2)C1 17113408 COHGSMBWEGBDBL-KRWDZBQOSA-N 347.459 1.481 0 40 EDAB CN1CCN(C(=O)[C@H]2C[C@@H]3CCN(CC4CCCCC4)C[C@H]3O2)CC1 2055729961 JUOLWVTVIVJGJH-IPMKNSEASA-N 349.519 1.820 0 40 EDAB O=C(c1ncn2c1CC[C@@H](C(=O)N1CCCCC1)C2)N1CCCC1 2055713337 BSQOQCMLUGSIMT-CQSZACIVSA-N 330.432 1.694 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCNc2ccc(C)nn2)cc1 35597966 COPDTRMCRPHSDY-UHFFFAOYSA-N 336.417 1.574 0 40 EDAB CCOC(=O)[C@H](CC)n1cnc2c(nnn2-c2cccc(C)c2)c1=O 5056985 SELSVPARRFWJNC-ZDUSSCGKSA-N 341.371 1.800 0 40 EDAB CCN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CCCCC1 30475971 ILVYHBKFWYGREC-UHFFFAOYSA-N 344.415 1.427 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2)CCO1 50857177 IMBKKGCISYITCK-MRXNPFEDSA-N 326.352 1.805 0 40 EDAB COc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O 107926 AQKFJXXGNABIGO-UVTDQMKNSA-N 336.376 1.769 0 40 EDAB COc1cc(C(=O)NS(=O)(=O)N(C)Cc2ccccc2)ccn1 40555410 LUTPOEMPAPTAFH-UHFFFAOYSA-N 335.385 1.197 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)Cn1cc(Br)ccc1=O 40512479 IJTNIKWUPWRHSE-SNVBAGLBSA-N 339.189 1.951 0 40 EDAB COCCCNc1c(N2CCN(c3ccc(F)cc3)CC2)c(=O)c1=O 101694770 SXSSXQGYZKZHPQ-UHFFFAOYSA-N 347.390 1.197 0 40 EDAB O=S(=O)(NCCCN1CC=CC1)c1ccc(C(F)(F)F)nc1 102090214 UVQJXIHZKQDQBL-UHFFFAOYSA-N 335.351 1.641 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C[C@@H](C)O1 32836412 NDHAHMYQOPNOOY-GHMZBOCLSA-N 346.474 1.089 0 40 EDAB CC(C)c1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 102837605 OQRNXFOZDUCVTH-KBXIAJHMSA-N 328.368 1.617 0 40 EDAB CCN1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 22030036 RNKQQMWDJZKYCO-UHFFFAOYSA-N 332.448 1.099 0 40 EDAB COc1ccc(OC)c(CN2CCN(CC(=O)NC3CC3)CC2)c1 22876193 SJMAOOGQFLCCNN-UHFFFAOYSA-N 333.432 1.100 0 40 EDAB COc1ccc(OC)c(C(=O)COC(=O)CN(C)c2ncccn2)c1 23173518 QOMANTDHMPRZRF-UHFFFAOYSA-N 345.355 1.356 0 40 EDAB CN(C)C(=O)CN1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 47532900 DUPDVHYBWAFJHM-UHFFFAOYSA-N 345.777 1.464 0 40 EDAB Cc1cc(=O)n2c3c(sc2n1)C(=O)N(Cc1ccccc1)C3=O 138598 ZSUGPYWFYLBHLZ-UHFFFAOYSA-N 325.349 1.861 0 40 EDAB O=C(NCc1nnc2n1CCC2)c1csc(Br)c1 24444496 RUSDAUZAKUSYIX-UHFFFAOYSA-N 327.207 1.978 0 40 EDAB C[C@@H](CNC(=O)c1cccnc1N1CCCC1)N1C[C@@H](C)O[C@H](C)C1 47639657 NYGPKSJKTTTYMK-ARFHVFGLSA-N 346.475 1.909 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1ccc(C(=O)NC[C@H]2CCCO2)s1 1440289 FNZFWPUJTVBBJP-TXEJJXNPSA-N 338.429 1.566 0 40 EDAB CC[C@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1c(C)nn(C)c1C 79010689 UKUHFKGQWACAPQ-JSGCOSHPSA-N 333.436 1.551 0 40 EDAB COc1cc(CCC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cc(OC)c1 79015891 FVQXMAXPWGSWMT-HZPDHXFCSA-N 334.416 1.797 0 40 EDAB OCCN[C@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 1667445 CMMXVKMSBWRYTM-MSOLQXFVSA-N 345.351 1.501 0 40 EDAB CN(C)CC(CN(C)C)c1cccc(C(CN(C)C)CN(C)C)n1 1717683 HMWRFFNLFAVEOL-UHFFFAOYSA-N 335.540 1.495 0 40 EDAB Cn1cc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cn1 79478468 LVGPCURDRYLLJY-UHFFFAOYSA-N 339.355 1.094 0 40 EDAB O=C(NCc1ccccc1)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 24987081 FJAGZZSSEBGGNO-IRXDYDNUSA-N 333.432 1.223 0 40 EDAB COC(=O)C1CCN(C(=O)CSc2ncc3ccccn23)CC1 25037827 UZAFVWSRTSCBBS-UHFFFAOYSA-N 333.413 1.838 0 40 EDAB CC(=O)c1ccc(OC[C@@H](O)Cn2c(=O)n(C)c3ccccc32)cc1 12552459 QCPMITNMGZBLDN-HNNXBMFYSA-N 340.379 1.983 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cc2cccs2)o1 25300749 ILRIUZUWTJDBGN-VIFPVBQESA-N 328.415 1.610 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@H](C)C2)c1=O 4999906 IQHQUWHPUPNNPM-ZDUSSCGKSA-N 329.400 1.442 0 40 EDAB CC(C)OCCCNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 6344526 SDHUNAPEJIGMKY-UHFFFAOYSA-N 346.424 1.523 0 40 EDAB CN(C)[C@@H](CNc1ncnc2c1cnn2CCO)c1ccccc1 97199972 AVEKQYPAVMPUHQ-HNNXBMFYSA-N 326.404 1.533 0 40 EDAB O=C(CCc1nnc(-c2ccccc2)o1)NC[C@H]1CCS(=O)(=O)C1 44720479 PDECRHYBUDENNU-GFCCVEGCSA-N 349.412 1.220 0 40 EDAB Cc1c(O)ccc2c(CN3CCC[C@@H]3C(=O)N(C)C)cc(=O)oc12 27566679 VIHFHSURGVDVLR-CQSZACIVSA-N 330.384 1.860 0 40 EDAB CC(C)[C@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)N1CCCC1 44934687 BMLNJSYQJARQBY-INIZCTEOSA-N 342.443 1.784 0 40 EDAB C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1ccccc1Cl 44950044 MSBUCEAIOUJCDL-NSHDSACASA-N 347.868 1.982 0 40 EDAB C[C@@H](OCC1CC1)C(=O)NCCNC(=O)c1n[nH]c2ccccc12 58325318 BMYJLGVMZHFEBZ-LLVKDONJSA-N 330.388 1.224 0 40 EDAB CC(C)(C)OC(=O)NC(C)(C)C(=O)NCC(=O)NCc1ccccc1 58300434 HCTFGMVHZACFIC-UHFFFAOYSA-N 349.431 1.722 0 40 EDAB CCOC(Cn1cc(C(=O)NCc2ccnc(OC)c2)nn1)OCC 58341328 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40 EDAB O=C(CNC(=O)c1cnccn1)Nc1nc(-c2ccccn2)cs1 72402512 MXBUZLSNMWKMLG-UHFFFAOYSA-N 340.368 1.364 0 40 EDAB O=C(NCCNC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccs1 46200482 XOPQWLTWUBXBFD-UHFFFAOYSA-N 349.456 1.243 0 40 EDAB Cc1cc(=O)c(OCC(=O)N2CCN(c3ccccn3)CC2)co1 72404406 GYBJQYPSSCJBNQ-UHFFFAOYSA-N 329.356 1.071 0 40 EDAB COCCOc1ccc(S(=O)(=O)N2CCCN(C)CC2)cc1 48252722 RDUIWGPWARNGJL-UHFFFAOYSA-N 328.434 1.038 0 40 EDAB Cc1ccccc1O[C@H](C)CNC(=O)NCCc1nnc2n1CCC2 95409970 GQHPMCOMOLFLJV-CQSZACIVSA-N 343.431 1.842 0 40 EDAB O=C1NCCCC[C@H]1NC(=O)C1(c2ccc(F)cc2)CCOCC1 57207936 OTUWEHCJLKUKDH-OAHLLOKOSA-N 334.391 1.659 0 40 EDAB CCOc1cc2c(cc1CNC(=O)c1ccc(=O)[nH]n1)O[C@H](C)C2 12866400 XNPUSECIBJKDRC-SNVBAGLBSA-N 329.356 1.422 0 40 EDAB CCc1ccc(S(=O)(=O)NCC(=O)NCC(F)(F)F)s1 48671988 OXJZXRIBEMCTIF-UHFFFAOYSA-N 330.353 1.267 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3600959 UKBZVRCIHDWSMC-GOSISDBHSA-N 329.400 1.542 0 40 EDAB O=C(O)CCCCCNC(=O)Cn1nc(-c2cccs2)ccc1=O 49549880 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CC(C)c1ccc(O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 15394773 MUEALQBWGUXNOP-GXTWGEPZSA-N 325.430 1.881 0 40 EDAB CCCn1nc(C(=O)N2CCCN(c3nccs3)CC2)ccc1=O 71830703 PWAZFKBFOOEQMU-UHFFFAOYSA-N 347.444 1.462 0 40 EDAB CNC(=O)c1[nH]nc2c1CN(c1ncnc3sc(C)c(C)c13)CC2 67983323 UTCJAQNXWMVOGX-UHFFFAOYSA-N 342.428 1.954 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 68020329 KRFJACRQICORHH-RWMBFGLXSA-N 349.406 1.598 0 40 EDAB Cc1cnc(C(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)cn1 71839659 ZPESEMIGSQNNJE-UHFFFAOYSA-N 330.392 1.249 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cnc(C3CC3)s2)CC1 71881974 GMSDZSRESOLSFD-ZDUSSCGKSA-N 339.461 1.176 0 40 EDAB CNC(=O)[C@H]1CCCN(C(=O)Cc2cc(C(C)=O)ccc2OC)C1 71896700 ZQMDBLVUBFPUDP-AWEZNQCLSA-N 332.400 1.425 0 40 EDAB Cc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H](CC(=O)O)C1 91293899 FKPNACYFOHSLSU-LLVKDONJSA-N 333.793 1.513 0 40 EDAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccco1 8199364 JUQLBDUMIDUNQX-UHFFFAOYSA-N 333.413 1.999 0 40 EDAB Cc1ccc(F)cc1C(=O)N1CCC[C@@H](C(=O)N2CCN(C)CC2)C1 69383884 QRKSCJJZTZZTEE-OAHLLOKOSA-N 347.434 1.760 0 40 EDAB O=C(NCCc1ccc(I)s1)c1cnn[nH]1 69485426 ABAWQXXWGAIIGV-UHFFFAOYSA-N 348.169 1.443 0 40 EDAB C[C@H]1CN(c2ncnc3ccccc23)CCN1c1ccc2nncn2n1 69512713 RTKWJYUKWKIGLM-ZDUSSCGKSA-N 346.398 1.783 0 40 EDAB COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)cc1 69599853 WIVNQOXXCLMKSB-IAGOWNOFSA-N 338.473 1.436 0 40 EDAB CC(C)n1cc(CN2CCCN(C(=O)CN3CCCC3=O)CC2)cn1 69776717 WYYRFZBEGDOWGT-UHFFFAOYSA-N 347.463 1.121 0 40 EDAB COc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1F 69814863 RBRNJYQLASNLPI-UHFFFAOYSA-N 342.378 1.594 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@H]2Cn2cccn2)CN1CC(F)(F)F 69924065 GEJNKJFYMDECKS-RYUDHWBXSA-N 344.337 1.285 0 40 EDAB COCCOc1ccccc1C(=O)N1CCN(CC(C)(C)O)CC1 69927846 VYZBXKCVKWIVIV-UHFFFAOYSA-N 336.432 1.241 0 40 EDAB CC(C)(C)OC(=O)COC(=O)CNC(=O)N1CCc2ccccc2C1 69974306 DOTPNUNFQRCLAB-UHFFFAOYSA-N 348.399 1.639 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)Cc2ccc(F)cc2F)C1 92569503 UXHXOJJLCGQOIZ-LBPRGKRZSA-N 332.372 1.048 0 40 EDAB CCc1nc(CN2CCC(N3CCS(=O)(=O)CC3)CC2)cs1 97049040 TYQIXKKIJCAGPX-UHFFFAOYSA-N 343.518 1.400 0 40 EDAB C[C@@H](NC(=O)CNC(=O)c1cccs1)[C@H](O)c1ccc(F)cc1 97020187 KERKVNWCBBBCGN-BMIGLBTASA-N 336.388 1.855 0 40 EDAB COCc1nc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)cs1 72235557 XXZVMXBQCLZBBT-LBPRGKRZSA-N 335.433 1.975 0 40 EDAB CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(O)c1 72290509 SBBSRHYMBNHXLP-UHFFFAOYSA-N 339.373 1.710 0 40 EDAB COc1c([C@H]2CCCN2CC(=O)Nc2nccs2)c(C)nn1C 72253726 ZLUBXFZLCJOFCD-LLVKDONJSA-N 335.433 1.969 0 40 EDAB C[C@H]1CN(C(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CCO1 72294534 IDDMFLMWHDHHCH-JTQLQIEISA-N 346.366 1.931 0 40 EDAB O=C(c1ccc(OCC2CC2)nc1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269451 ZCYLAILSJHLAJZ-DLBZAZTESA-N 345.443 1.542 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(N)=O 20006650 IIXUMWHRJUQFQM-CQSZACIVSA-N 348.424 1.379 0 40 EDAB O=S1(=O)CC[C@H](N2CCN([C@H]3CCc4c(F)cccc43)CC2)C1 95992424 LQYKECMLVYFGPK-GUYCJALGSA-N 338.448 1.618 0 40 EDAB CN(CCc1ccccc1F)C[C@H]1CCCN(S(C)(=O)=O)C1 85795844 PBLHGDMAXYEHNR-CQSZACIVSA-N 328.453 1.972 0 40 EDAB CN(C(=O)CCc1ccccc1O)[C@@H]1CCC[C@@H]1S(C)(=O)=O 75092639 UFXVCWBMZLMGBX-HIFRSBDPSA-N 325.430 1.749 0 40 EDAB CS(=O)(=O)c1cccc(NC(=O)NCc2cccc(CO)c2)c1 171510749 ZSGWONMKOJMHMN-UHFFFAOYSA-N 334.397 1.904 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CC(c3nc(C4CC4)no3)C2)c1 70637067 KXIWTXWYFAAENU-UHFFFAOYSA-N 347.396 1.938 0 40 EDAB CNC(=O)c1cc(O[C@H]2CCCN(c3cncc(Cl)n3)C2)ccn1 521398506 KYJCJUNWIYTLSV-LBPRGKRZSA-N 347.806 1.932 0 40 EDAB COC(=O)c1ccc2c(c1)OCC(=O)N2CC(=O)NC1CCCCC1 73658851 RSSYETSKBYRFLO-UHFFFAOYSA-N 346.383 1.648 0 40 EDAB Cc1ncc2c(n1)CC[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1)C2 557782637 PAVDOJLGAZUJJL-ZDUSSCGKSA-N 347.396 1.319 0 40 EDAB Cc1ccc(CCCC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)s1 79536548 ZEQYSRYWKYWJPI-ZDUSSCGKSA-N 344.502 1.919 0 40 EDAB O=C(O)c1ccc(N2CCC[C@H](NC(=O)N3CCOCC3)C2)cc1 558273253 KUZZVMNYRUHBAD-AWEZNQCLSA-N 333.388 1.395 0 40 EDAB COCC(=O)N1CCC[C@H]1c1cc(Nc2nncs2)nc(C)n1 72360295 BSFLGVBPGDTYPF-NSHDSACASA-N 334.405 1.690 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70638072 TZBKFAWJCHWGGH-CQSZACIVSA-N 349.398 1.912 0 40 EDAB Cc1cc(C)n(-c2cncc(N(C)Cc3nnc4ccccn34)n2)n1 79089464 HFGZXSVVLCZYTI-UHFFFAOYSA-N 334.387 1.958 0 40 EDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CO)cc1 218445821 FQJMCVYKXYCBSB-FGTMMUONSA-N 331.437 1.933 0 40 EDAB Cc1ccsc1[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)OCO2 70635812 UEBJYVSTUFIIPK-LLVKDONJSA-N 348.380 1.574 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN3CCCC[C@@H]23)C1 525399639 WXQIYMWEKNPESD-YJNKXOJESA-N 343.493 1.268 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccco2)cc1 44225315 ISKMMLKICDFZTQ-LLVKDONJSA-N 330.340 1.752 0 40 EDAB COc1ccc(NC(=O)NCc2nccc(N3CCOCC3)n2)cc1 224171350 SWRWZAUFXIMTAB-UHFFFAOYSA-N 343.387 1.644 0 40 EDAB COC(=O)c1ccc(CN2C(=O)[C@H](CCSC)NC2=S)cc1 83895745 OSNNUJCJZUUDPD-LBPRGKRZSA-N 338.454 1.812 0 40 EDAB Oc1nncn1C1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 574050921 MXDHLMLZDJOCMW-QGZVFWFLSA-N 343.431 1.526 0 40 EDAB CS(=O)(=O)N[C@H](CC(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 225945229 SGQJYAOBSOMZEZ-UONOGXRCSA-N 344.408 1.101 0 40 EDAB Cn1cc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCc3ccco3)C2)cn1 96041178 NDNBFACLFLWZCB-YESZJQIVSA-N 344.415 1.166 0 40 EDAB CN(C)c1ncc(-c2cc(C(=O)NCC3CCOCC3)n(C)c2)cn1 96266292 NZUSIKVVBOYZSK-UHFFFAOYSA-N 343.431 1.705 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccco2)[C@@H]1c1ccc(F)cc1 96181714 TVYJOOBISNHYTE-JKSUJKDBSA-N 332.331 1.633 0 40 EDAB CCc1cnc(CNC(=O)N2CCN(c3ccnc(C)n3)CC2)s1 97376465 TZPRKCTWASRULE-UHFFFAOYSA-N 346.460 1.836 0 40 EDAB O=C(CN1CSCC1=O)Nc1ccnn1-c1cccc(Cl)c1 96403917 RDEPJKVPVCAFJM-UHFFFAOYSA-N 336.804 1.997 0 40 EDAB CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)C1(N2CCOCC2)CCCC1 97101677 CRAVWYAIWUXMQU-HZPDHXFCSA-N 325.497 1.865 0 40 EDAB O=C(NCc1cccnc1)N1C[C@@H]2OCCN(CC3CCCC3)[C@@H]2C1 96248708 ZDHCULKBYAKTKM-MSOLQXFVSA-N 344.459 1.866 0 40 EDAB O=C(NC1CC1)c1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)C3O)cc1 95441257 ASCSYSOETVNRCU-FKEKPDDDSA-N 328.412 1.812 0 40 EDAB CC(=O)N(C[C@H]1CCCO1)c1nc(C)c(C(=O)n2ccnc2)s1 94992928 BVKIWRWNOSXPGW-GFCCVEGCSA-N 334.401 1.868 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NCc1cccc(OCC(F)F)c1 96403150 MBWCBXXJYCQYTM-AWEZNQCLSA-N 326.343 1.958 0 40 EDAB CC(C)N(C)C[C@@H]1CO[C@@]2(COCCN(C(=O)N3CCCC3)C2)C1 96052008 BJROJFCKNVYNAG-AEFFLSMTSA-N 339.480 1.650 0 40 EDAB Cc1cc(NCCNC(=O)[C@@H]2C[C@H]2c2ccco2)n2ncnc2n1 96448357 NCYYLGHZIJKNRS-VXGBXAGGSA-N 326.360 1.358 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@H](N4CCCC4=O)CCO3)C2)o1 96209660 RKEUMYKPFJJLNF-RDTXWAMCSA-N 332.400 1.974 0 40 EDAB Cc1nn(C)cc1CCNC(=O)N1CCO[C@H](Cc2ccccc2)C1 96494038 PDDOVQLJGRNTLO-GOSISDBHSA-N 342.443 1.924 0 40 EDAB C[C@H](CNC(=O)C(=O)Nc1cccc(-c2cnco2)c1)N(C)C1CC1 96410763 IVZZFZIAYFNITL-GFCCVEGCSA-N 342.399 1.879 0 40 EDAB CN(Cc1ccsc1)S(=O)(=O)c1cccc(-c2nnnn2C)c1 96427634 IICQHGNZSHYLDT-UHFFFAOYSA-N 349.441 1.759 0 40 EDAB C[C@@H](C1CC1)N(C)S(=O)(=O)NC[C@H](c1ccccc1)N(C)C 230080406 SZCGKXXHMTYJPA-XJKSGUPXSA-N 325.478 1.854 0 40 EDAB O=C1CO[C@]2(COCCN(Cc3cccs3)C2)CN1c1ccoc1 96051391 FLASPJCJEPZFRX-KRWDZBQOSA-N 348.424 1.976 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(C(=O)c3ccncc3)C[C@@H]12)NCC1CC1 96057174 HDNRUXFSXQEZJM-ZACQAIPSSA-N 343.427 1.333 0 40 EDAB CS(=O)(=O)NC[C@H]1OC[C@H]2CN(CCc3ccccc3)CC[C@@H]12 96187320 DPTHGTHPDFFZOG-BRWVUGGUSA-N 338.473 1.115 0 40 EDAB NC(=O)[C@H](NC[C@H]1CCOC1)c1ccc(Br)cc1F 96437015 MECLPLOUBUZSST-PRHODGIISA-N 331.185 1.741 0 40 EDAB CCCCNC(=O)CN1C=Cc2cc(OC)c(OC)cc2CC1=O 96221873 ZTQVYFBOEIIMQY-UHFFFAOYSA-N 332.400 1.976 0 40 EDAB biogenic Cc1c(F)cccc1S(=O)(=O)N1CCC[C@@H](N2CCCC2=O)C1 96427989 OALTVBBIONSTSN-CYBMUJFWSA-N 340.420 1.910 0 40 EDAB CS(=O)(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)OC[C@@H](CO)O1 96531646 CHALPEGBYOFTPV-MSOLQXFVSA-N 348.420 1.959 0 40 EDAB CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccoc3)CC[C@@H]21 96185644 IEJXCKBSWAWULG-IKGGRYGDSA-N 329.404 1.383 0 40 EDAB Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(CC4CCC4)C[C@H]3O2)cn1 96042813 MQDYYBDAXGMSMF-CGTJXYLNSA-N 344.459 1.681 0 40 EDAB CCOC(=O)[C@@H](CC(C)=O)NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 585088182 NUUJDEBONSBYMD-VXGBXAGGSA-N 342.392 1.023 0 40 EDAB CCCC[C@H](CC)CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)NC 585088578 AYMWGKNWQXJFRN-KBPBESRZSA-N 346.493 1.355 0 40 EDAB O=C(NC[C@H](c1cccs1)N1CCOCC1)C1(NC2CC2)CCC1 585095642 RBAPCIYIWZXEEC-OAHLLOKOSA-N 349.500 1.912 0 40 EDAB COc1ncccc1C(=O)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257251364 JQLJHNPAYDSMKQ-VHDGCEQUSA-N 339.399 1.843 0 40 EDAB CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1 64467677 UZASMEYMSUULAH-UHFFFAOYSA-N 344.389 1.535 0 40 EDAB CCc1noc(C)c1C(=O)NC[C@]1(O)CCCN(c2ccccn2)C1 257259390 KYDWCFUCWDMVAG-GOSISDBHSA-N 344.415 1.702 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)NCc1nccs1 585121340 MOIFLCHSVNSAEY-BONVTDFDSA-N 341.433 1.520 0 40 EDAB O=C(Nc1ccns1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 585126005 KZPSHVWLTNEBCR-SNVBAGLBSA-N 345.380 1.906 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@H](CCc3cc(C)ncn3)C2)cn1 257266696 MECBIQNAJOBNKS-QGZVFWFLSA-N 326.400 1.962 0 40 EDAB Cc1cnc(C(=O)N2CCC[C@@H](Cc3cnc(N)cn3)CC2)cn1 257334534 YGIWDQNASWONHG-CYBMUJFWSA-N 326.404 1.642 0 40 EDAB c1cnc(OCC[C@@H]2CCOC3(C2)CN(C2CCOCC2)C3)cn1 253588820 UNJXTCGDIKOIKL-OAHLLOKOSA-N 333.432 1.906 0 40 EDAB COc1cccc(N2CCC(NC(=O)N[C@H]3C[C@@H](C(=O)O)C3)CC2)c1 1599679648 ZGYJXXKORBVZNZ-XBXGTLAGSA-N 347.415 1.826 0 40 EDAB O=C(NCc1ccc(Cl)s1)NCC1(OCCO)CCOCC1 252478435 AMGUQSRCLGRULC-UHFFFAOYSA-N 348.852 1.759 0 40 EDAB Cc1ccccc1OCCCNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 252536813 JPXAMRMBEIHSSN-SJLPKXTDSA-N 347.459 1.878 0 40 EDAB Nc1nc(N)c2c(n1)O[C@]1(CCCN(Cc3ncccc3F)CC1)C2 257205139 AXVVCLPSDPWKAS-KRWDZBQOSA-N 344.394 1.535 0 40 EDAB CCOC[C@@H]1CN(Cc2cnc3cnccn23)C[C@H]1c1cnn(C)c1 585655676 YOXIXDKUTBKBRE-RDJZCZTQSA-N 340.431 1.715 0 40 EDAB CNc1cnc(C[C@@H]2CCCN(C(=O)Cn3ccnc3C)CC2)cn1 257331175 XRSBODDXTVEJKJ-OAHLLOKOSA-N 342.447 1.895 0 40 EDAB Cc1c(Cl)cccc1S(=O)(=O)N1CC(Nc2ncccn2)C1 253472419 MDJOHDYIOWNBIZ-UHFFFAOYSA-N 338.820 1.923 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccn(C)n2)C1 257332737 XYLXAAGXYHDAEI-GOSISDBHSA-N 346.406 1.268 0 40 EDAB O=C(NCc1cc2ccccc2o1)NCC1(OCCO)CCOCC1 252478558 APIHNYLEIDOCBV-UHFFFAOYSA-N 348.399 1.790 0 40 EDAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)c1ncccn1 257283015 OWJREJBNOURDLN-RGCFKVTRSA-N 346.475 1.953 0 40 EDAB Cc1nccn1CC(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 257274456 NLDFKNXNZVJYRG-KRWDZBQOSA-N 329.404 1.714 0 40 EDAB c1cnc2c(CN3CC4(CO[C@@H](Cc5cncnc5)C4)C3)cnn2c1 257200169 ACGOQEDEPYHPGR-INIZCTEOSA-N 336.399 1.353 0 40 EDAB O=C(O)[C@H](Cc1ccccc1O)NC(=O)[C@@H]1OCCc2ccccc21 1608541975 NOPJDHMIZZJVLV-DOTOQJQBSA-N 341.363 1.818 0 40 EDAB COCn1nccc1S(=O)(=O)N[C@@H](C)c1cc2n(n1)CCCC2 1615058853 RSMXVTQOTVYKOJ-NSHDSACASA-N 339.421 1.059 0 40 EDAB N[C@H]1C[C@@H](NS(=O)(=O)c2cccc3c2OCCCO3)C12CCC2 1615058322 NDCIYSWBEACXTC-UONOGXRCSA-N 338.429 1.396 0 40 EDAB Nc1ccn2ncc(C(=O)N3CCO[C@@H](CC(F)(F)F)C3)c2c1 1615553798 NPTZVXVSHONHOG-JTQLQIEISA-N 328.294 1.710 0 40 EDAB COC(=O)c1nc(=NCc2ccccc2N2CCOCC2)cc(C)[nH]1 1615551999 QOBNJIWYIINDOB-UHFFFAOYSA-N 342.399 1.442 0 40 EDAB CN(C[C@@H]1COCCO1)c1nnnn1CCc1ccc(F)c(F)c1 1616032865 IQWCPYZIBKUIBQ-GFCCVEGCSA-N 339.346 1.046 0 40 EDAB O=S1(=O)C=C[C@@H](NC(=S)Nc2nc3ccccc3s2)C1 575424441 LGFPYPLPINRADK-MRVPVSSYSA-N 325.440 1.893 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575405609 SOUFJQOUIDJRHC-ZDUSSCGKSA-N 326.356 1.324 0 40 EDAB CCc1nc(CNC(=O)CC[C@H]2[C@@H](OC)CCCN2C(C)=O)no1 585281437 XKJLEZCMBDDWSG-STQMWFEESA-N 338.408 1.054 0 40 EDAB Cc1cc(C(=O)NC2CCN(C(=O)[C@@H](C)n3cncn3)CC2)c(C)o1 589391375 JKJCBOKVOZCTHI-GFCCVEGCSA-N 345.403 1.470 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]2CN(CC3(O)CCCC3)CC[C@H]21 585283903 PRLSMGAIGUTHCH-LSDHHAIUSA-N 330.494 1.428 0 40 EDAB Cc1cccc(OC[C@]2(O)CCN(C(=O)CCc3cc(O)no3)C2)c1 585275426 ANOPQOWWAVMZAD-SFHVURJKSA-N 346.383 1.664 0 40 EDAB CN(CC(=O)N1CCCN(Cc2ncc(Cl)n2C)CC1)C1CC1 69696937 QVVYOGBJBHLMJR-UHFFFAOYSA-N 339.871 1.202 0 40 EDAB CC(C)(C)N1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 71818504 SOULFSMSMJFTSX-INIZCTEOSA-N 342.447 1.400 0 40 EDAB CC(C)[C@@H](NCC(F)(F)F)C(=O)N[C@@H](C)C(=O)NC(C)(C)C 71922193 QTERDKDRDQAZEY-VHSXEESVSA-N 325.375 1.582 0 40 EDAB O=C(NCc1ccc(-n2cccn2)cc1)NC[C@@H]1CCS(=O)(=O)C1 44968213 WGDQMUHWCRUFNY-AWEZNQCLSA-N 348.428 1.106 0 40 EDAB CN(C)c1ccc(C(=O)OCC(=O)NC(=O)c2ccco2)cc1F 62345300 VVYYVKUENGGPGU-UHFFFAOYSA-N 334.303 1.598 0 40 EDAB COc1ccc(COCC(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)cc1 76052863 COXFQEXLJSJZHG-YJBOKZPZSA-N 348.443 1.391 0 40 EDAB Cn1cc(CNC(=O)[C@H](c2ccccc2)N2CCSCC2)cn1 58833917 VULPZMQXYJBMKY-INIZCTEOSA-N 330.457 1.826 0 40 EDAB CN(C)c1nccc(N2CCN(c3ncnc4sccc34)CC2)n1 301366441 QXEITCJAHRDMEN-UHFFFAOYSA-N 341.444 1.874 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(C)s1 13996542 SVOXATKJIFIENL-DTORHVGOSA-N 332.447 1.214 0 40 EDAB Cc1nc(=O)c2nnn(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2[nH]1 19286457 PZEIIUGHZQGJFU-LLVKDONJSA-N 332.408 1.108 0 40 EDAB C[C@]1(NC(=O)c2cc(-c3ccccc3F)no2)CCS(=O)(=O)C1 19461342 AUUMZAVPNDUPKT-HNNXBMFYSA-N 338.360 1.788 0 40 EDAB CCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929576 IWJWFJARFXLHRB-UHFFFAOYSA-N 326.418 1.293 0 40 EDAB O=S(=O)(Cc1ccccc1)NCc1nc(C2CCOCC2)no1 575608778 VCTWDFYAOUGNSV-UHFFFAOYSA-N 337.401 1.583 0 40 EDAB Cn1ccc([C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)n1 390830590 MBSGYFRQQDKZBS-CQSZACIVSA-N 347.440 1.923 0 40 EDAB COc1ccc(NC(=O)CCCN2C(=O)CN(C)C2=O)c(OC)c1 8315702 UGALUTASDIKTTJ-UHFFFAOYSA-N 335.360 1.317 0 40 EDAB CCc1ncnc(N2C[C@H]3CN(c4ncncc4F)C[C@@H]3C2)c1F 1888853456 DARZLZSHJNAPJW-GHMZBOCLSA-N 332.358 1.680 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)CN2c3ccccc3C[C@@H]2C)C1 16382019 CNRFNVQCVNOHNL-FUHWJXTLSA-N 345.487 1.911 0 40 EDAB CC1CCN(C(=O)CN2CCC[C@@H]2c2ccc3c(N)[nH]nc3n2)CC1 2037633215 WWNWWMJUNHYHAC-OAHLLOKOSA-N 342.447 1.936 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCCN([C@H]2CCOC2)CC1 1565522089 PWQAVQLQGOVCFN-YOEHRIQHSA-N 332.400 1.150 0 40 EDAB O=C([C@H]1CCCO1)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 4165454 OAUHQRZRZOYKQL-ZIAGYGMSSA-N 325.361 1.648 0 40 EDAB COc1ccccc1N1CCN(C(=O)c2cn(C)nc2OC)CC1 8842370 XWLYZZYQOCRIDD-UHFFFAOYSA-N 330.388 1.400 0 40 EDAB O=C(Cc1ccc(F)cc1)NCc1nnnn1-c1cccc(F)c1 10593586 UEKJGPPSBQLDLU-UHFFFAOYSA-N 329.310 1.799 0 40 EDAB O=C(NCc1ccco1)c1noc2c1C[C@@H](NC(=O)C1CCC1)CC2 2055739019 HRBMKMHNTKNGQC-LBPRGKRZSA-N 343.383 1.971 0 40 EDAB O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1cccs1 23143627 ATCVUCPAXOTRDH-UHFFFAOYSA-N 327.383 1.834 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CCn2c1nc1ccccc12 38488856 ATFDCGFMPBPVLF-UHFFFAOYSA-N 331.339 1.672 0 40 EDAB Cn1cc(CC(=O)N2CCN(c3cccnc3)C(=O)C2)c2ccccc21 585150187 IZIWTWCHKCNDDK-UHFFFAOYSA-N 348.406 1.991 0 40 EDAB Cc1nnsc1C(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225782596 ZEVVKMPKVPDFGF-UHFFFAOYSA-N 345.359 1.192 0 40 EDAB NC(=O)c1ccccc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 102903 MSFQWJQZGWZCEI-UHFFFAOYSA-N 337.335 1.691 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)N[C@@H](C)Cn3cccn3)CC2=O)c1 31400999 ZXQJXTKDXRGYEA-KBPBESRZSA-N 342.399 1.450 0 40 EDAB CN(CC(=O)NCCc1ccc2c(c1)OCCO2)Cc1ccco1 40473990 SBCXIVJKJAZORP-UHFFFAOYSA-N 330.384 1.842 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cn1 31601783 MXVDVMNKCWMRPU-GFCCVEGCSA-N 326.356 1.472 0 40 EDAB CC[C@@H]1CCCC[C@H]1NC(=O)CCn1cnc2c(cnn2C)c1=O 40516433 LINLTIYOPWCNCM-TZMCWYRMSA-N 331.420 1.605 0 40 EDAB Cc1ccc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)on2)cc1 40513751 LFCMLJLKWIPCIJ-UHFFFAOYSA-N 335.429 1.727 0 40 EDAB CCOC(=O)[C@@](NCc1ccc(OC)cc1)(NC(C)=O)C(F)(F)F 20609077 YVPQQZUHRUUKEM-CQSZACIVSA-N 348.321 1.743 0 40 EDAB O=C(CN1CCN(c2nccs2)CC1)NCCc1ccsc1 52358818 VQUVSTBJVJAWCX-UHFFFAOYSA-N 336.486 1.686 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)[C@@H]1CC(=O)N(Cc2ccco2)C1 33117959 AORLKNBXCRLZTI-ZBFHGGJFSA-N 340.379 1.748 0 40 EDAB Cn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 367881 YWPNHCPMOUZXQD-UHFFFAOYSA-N 336.804 1.906 0 40 EDAB Cn1cnc2cc(NC(=O)C3(n4cnnn4)CCCCC3)ccc21 72404738 PATPTKDXFHKYHS-UHFFFAOYSA-N 325.376 1.858 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(CCCOc2ccc(F)cc2)CC1 24243439 NMUPVPBDDVNENO-HNNXBMFYSA-N 349.450 1.879 0 40 EDAB Cc1[nH]c2ccccc2c1CC(=O)NC1CCN(S(C)(=O)=O)CC1 24876411 VMJGJFHJZGYVSL-UHFFFAOYSA-N 349.456 1.559 0 40 EDAB CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=O)CC1 1450080 ITXXAIYRPLBBGI-UHFFFAOYSA-N 329.356 1.287 0 40 EDAB O=C(CN1CSCC1=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 55943676 HUKLQCYMRLHZNC-BBRMVZONSA-N 338.404 1.695 0 40 EDAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 7974328 VZASCCMZWUGHMK-UHFFFAOYSA-N 347.352 1.582 0 40 EDAB CC[C@H]1CN(CCc2nc3ccccc3c(=O)[nH]2)CCN1C[C@H](C)O 107351215 RQPIQAOCSBBLQL-GJZGRUSLSA-N 344.459 1.243 0 40 EDAB CC(C)C(=O)N1CCN(Cc2c(O)nnn2-c2ccccc2)CC1 57085227 GEWOVUKFMZZXHH-UHFFFAOYSA-N 329.404 1.273 0 40 EDAB O=C([C@H]1CCC[C@]12CCN(Cc1ccncc1)C2)N1CCOCC1 108526284 HZNYWWJHQOOTIH-IEBWSBKVSA-N 329.444 1.933 0 40 EDAB NS(=O)(=O)CCCNC(=O)c1ccc(-c2ccccc2F)o1 84514533 RBZZOOCJNIFBQM-UHFFFAOYSA-N 326.349 1.494 0 40 EDAB Cc1cc(N(C)C)ccc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 58168249 KSIVLQRLTYBZQF-CYBMUJFWSA-N 342.486 1.920 0 40 EDAB Cc1ccc([C@H](CNC(=O)CCSc2nnnn2C)N(C)C)cc1 58290306 MLUPBZAQRTTWNN-AWEZNQCLSA-N 348.476 1.420 0 40 EDAB CN1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(Cc2ccccc2)no1 20464226 PTWIAXALHUWVLI-GJZGRUSLSA-N 326.400 1.932 0 40 EDAB biogenic,in-vitro CCN(CC)c1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cn1 58393488 XYCUWGCFMGAUNF-UHFFFAOYSA-N 337.387 1.852 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccn(Cc2cccnc2)n1 58323004 SSEKVOXQKVGZBF-GFCCVEGCSA-N 339.355 1.676 0 40 EDAB CN(CC(=O)N1CCNC(=O)C1)Cc1cccc(Cl)c1Cl 11212338 WJJOSBSUINZMOW-UHFFFAOYSA-N 330.215 1.384 0 40 EDAB C[C@@H]1CCc2sc3ncn4nc(C(=O)NCCCO)nc4c3c2C1 2442924 VVFGFXHBDFLDSD-SECBINFHSA-N 345.428 1.576 0 40 EDAB Cc1ccc(F)c(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 11477385 GAEJOKPFMWGYSM-UHFFFAOYSA-N 329.335 1.606 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 45810645 NFEJOOLBQPHUDI-GFCCVEGCSA-N 335.452 1.152 0 40 EDAB COc1ncc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2cccnc2)cn1 100148633 JBQSDPIYBPGMJM-IAGOWNOFSA-N 340.427 2.000 0 40 EDAB COCCN1CCCC2(CCN(C(=O)C3CCOCC3)CC2)C1=O 108530718 CTEHVJVHLJPBJA-UHFFFAOYSA-N 338.448 1.291 0 40 EDAB CN(CC(N)=O)C(=O)COc1ccc(C2SCCCS2)cc1 46979845 OAXGPNWGYGIAOK-UHFFFAOYSA-N 340.470 1.878 0 40 EDAB COc1ccc(CNC(=O)CCNc2ncnc3[nH]cnc23)cc1 12296989 PDOHPULJECISQP-UHFFFAOYSA-N 326.360 1.480 0 40 EDAB biogenic Cn1cccc1[C@H](CNC(=O)Cc1ccc(F)cc1)N1CCOCC1 21152191 YINYNVXBRPLZSK-SFHVURJKSA-N 345.418 1.896 0 40 EDAB COc1ccc(CN2CCN(C(=O)NCc3cc[nH]n3)CC2)cc1F 48291110 LYGFARQMKSBJCY-UHFFFAOYSA-N 347.394 1.585 0 40 EDAB O=C(CCN1C(=O)CCC1=O)NCc1cnn(-c2ccccc2)c1 12737441 DTQILQFLSPHYQE-UHFFFAOYSA-N 326.356 1.028 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2csc(C)n2)cc1 48375305 ZUYPYSJWVXRXCM-UHFFFAOYSA-N 326.399 1.717 0 40 EDAB COc1ncccc1C(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 12863601 ROTMEXWUHNVHGX-CYBMUJFWSA-N 338.429 1.662 0 40 EDAB Cc1ccc(OC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)c(C)c1 12871374 APCSYBWHAQBDQM-CQSZACIVSA-N 332.400 1.908 0 40 EDAB O=S(=O)(Nc1nccn2ccnc12)c1ccc(C(F)(F)F)nc1 96007295 REIVRGHDUVMCEQ-UHFFFAOYSA-N 343.290 1.944 0 40 EDAB CCc1nc(C(=O)NCCN2CCN(C(=O)C3CCCC3)CC2)co1 96011216 QCFHLPVKOZPUGO-UHFFFAOYSA-N 348.447 1.301 0 40 EDAB O=S(=O)(N[C@@H](CO)c1ccco1)c1ccc(C(F)(F)F)nc1 96007725 KRMXONYHLHTOIN-VIFPVBQESA-N 336.291 1.705 0 40 EDAB O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1 96006767 IJSAWKCTFBGZQL-UONOGXRCSA-N 327.377 1.584 0 40 EDAB COc1ccsc1S(=O)(=O)N[C@H](C)Cn1nc(C)cc1C 95415224 OJEXBOFJPXOKAR-SNVBAGLBSA-N 329.447 1.937 0 40 EDAB COc1ccc(C(=O)N2CCCC[C@H]2Cn2ccnn2)c(OC)c1 95456742 KTYRNSVIRTWVMO-ZDUSSCGKSA-N 330.388 1.990 0 40 EDAB CC[C@H]1CN(C(=O)CNC(C)(C)c2ccc3c(c2)OCO3)CCO1 65553228 VNCSGPODVLOADB-AWEZNQCLSA-N 334.416 1.877 0 40 EDAB O=C1CCC(C(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)=NN1 65565392 BRLGXDQODGRCMQ-CQSZACIVSA-N 331.372 1.127 0 40 EDAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)NCc1nnc2n1CCC2 65563104 IKBGVPTZPJPMQK-GFCCVEGCSA-N 331.424 1.335 0 40 EDAB O=c1onc(-c2ccccn2)n1Cc1nc(-c2cccs2)n[nH]1 93903944 KVQJKAIDUSCXTI-UHFFFAOYSA-N 326.341 1.793 0 40 EDAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)Nc1c(C)cc(C)cc12 4751419 YQPYJYDGTHCLRH-OAHLLOKOSA-N 332.385 1.411 0 40 EDAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(CCO)CC1 66863417 ZZWRWHMEAFDSFR-UHFFFAOYSA-N 334.851 1.944 0 40 EDAB O=C(COC(=O)CCc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 6845912 ILMIRXJDNHFEFO-UHFFFAOYSA-N 339.351 1.971 0 40 EDAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cnccn1 15318235 ZTIPSJRVXWJOJE-UHFFFAOYSA-N 342.399 1.821 0 40 EDAB CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)Cn1cncn1 71899999 VJDPXIZMDIIVLZ-UHFFFAOYSA-N 335.795 1.809 0 40 EDAB CCC(=O)Nc1cccc(C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)c1 71903687 KXQQLICJOYALBT-LBPRGKRZSA-N 340.445 1.930 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)NC1CCCCC1 7916608 XZJVFWGXCMNCOX-UHFFFAOYSA-N 329.422 1.409 0 40 EDAB C[C@@H]1CN(Cc2cn(C)nc2-c2ccccc2Cl)C[C@H](C(N)=O)O1 95983032 YPOCFXYOHAKNTA-IAQYHMDHSA-N 348.834 1.815 0 40 EDAB COC(=O)[C@H](c1ccc(F)cc1)N1CCN(c2cnccn2)CC1 69484238 NEBDKYRTPKXWOD-INIZCTEOSA-N 330.363 1.652 0 40 EDAB O=c1n(CCSc2nc(-c3cccnc3)n[nH]2)nc2ccccn12 69567778 XEWGTYHWPSKSLP-UHFFFAOYSA-N 339.384 1.468 0 40 EDAB Cc1nnc2n1CCN(C[C@H](O)COc1ccc3ccccc3c1)C2 69558516 NKDGUPLRXRXVLC-KRWDZBQOSA-N 338.411 1.995 0 40 EDAB CCN(CC)[C@@H](C(=O)OCC(=O)N[C@H](C)COC)c1ccccc1 69662840 CSSWJHSCZWBRIN-RHSMWYFYSA-N 336.432 1.764 0 40 EDAB Cc1ccc(-n2c(N)cn3n[n+](-c4ccc(C)cc4)c(=O)c-3c2O)cc1 8507844 WNPOHGNQJMSKQC-UHFFFAOYSA-O 348.386 1.642 0 40 EDAB COc1c(C)cnc(CNC(=O)NCCC(=O)NC2CCCC2)c1C 69705295 VEXKCMHYXDWEJN-UHFFFAOYSA-N 348.447 1.955 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2noc(=O)[nH]2)cc1 69743231 TWANENUVYMIJAY-SECBINFHSA-N 348.359 1.882 0 40 EDAB COCC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 69703113 QALCKMSRCWDCEN-CVEARBPZSA-N 336.436 1.114 0 40 EDAB CCc1nc2n(n1)C[C@@H](NC[C@@H](O)COCc1ccccc1)CC2 69875258 AURITJDZEUWWMM-JKSUJKDBSA-N 330.432 1.323 0 40 EDAB CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccnc(N(C)C)c1 69809066 QQQZQJCIYNYLBT-DGCLKSJQSA-N 336.461 1.577 0 40 EDAB CN1CC[C@@H](N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1=O 69975173 VVAQIQPOBZMXKB-CQSZACIVSA-N 339.798 1.468 0 40 EDAB CC(C)OCC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 72270992 DGEQWUKSSVSZQG-AWEZNQCLSA-N 325.453 1.003 0 40 EDAB CC[C@H](C)N1C(=O)NC(=O)[C@]2(Cc3cc(C)ccc3N(C)C2)C1=O 9090158 IBGOIZARVOXICO-KPZWWZAWSA-N 329.400 1.851 0 40 EDAB CCN(CC)[C@@H]1CCN(C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 95962282 MGTUADFBXCGDOI-CYBMUJFWSA-N 347.398 1.749 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CC[C@H](N(C)Cc2noc(C3CC3)n2)C1 89448664 ZMTXFANPEXQMSJ-FZMZJTMJSA-N 333.436 1.120 0 40 EDAB Cc1nnc(CN(C)[C@H]2CCN(Cc3nnc(C4CCC4)o3)C2)n1C 89736074 DZHDBJMZGHWYES-AWEZNQCLSA-N 345.451 1.480 0 40 EDAB O=C(NCCc1ccccn1)[C@@H]1COCC(=O)N1Cc1ccccc1 89834808 VUVATVYCYBVWMY-KRWDZBQOSA-N 339.395 1.168 0 40 EDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc2c([nH]c1=O)CCC2 89834893 RAWMWJBKTKMUBZ-INIZCTEOSA-N 337.423 1.868 0 40 EDAB CN(Cc1cn(-c2ccccc2)nn1)CC1CCN(CCO)CC1 75603068 VHKYQVHGDYWDKH-UHFFFAOYSA-N 329.448 1.403 0 40 EDAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCC)cc1 408535289 VSLWXRCRYPZZMP-UHFFFAOYSA-N 328.434 1.670 0 40 EDAB CC(C)[C@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 78452606 DZIAXRGWMWKOMO-WQVCFCJDSA-N 343.427 1.878 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)N(CC)CC)ccc1OCC 408699285 VZJKDLQVMYYOMG-UHFFFAOYSA-N 328.434 1.866 0 40 EDAB COc1ccc(Br)cc1[C@@H]1CC2(C)NC(=O)C1C(=O)N2 61722142 DEMHVRFMNBQOIJ-VOIZVOFFSA-N 339.189 1.523 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@@H]1Cc2ccccc2O1 33116928 RXKCGFCLGLSFSA-NSHDSACASA-N 325.324 1.558 0 40 EDAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1 32081215 UHWBDONLDOCBTP-UHFFFAOYSA-N 347.396 1.853 0 40 EDAB COCCCNC(=O)CC1(N2Cc3ccccc3C2=O)CCOCC1 1548348488 NIYBYFAVRXSTAI-UHFFFAOYSA-N 346.427 1.734 0 40 EDAB CCc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)Nc1cnn(C)c1)CCC2 125141241 CTIYLCOEMQCUPP-LBPRGKRZSA-N 347.444 1.914 0 40 EDAB Cc1[nH]nc2c1[C@@H](c1cccc(Cl)c1)c1c([nH]c(=O)[nH]c1=O)N2 31809328 QOCDDIZKXQKWJA-SNVBAGLBSA-N 329.747 1.985 0 40 EDAB O=C(NCCc1nc(-c2ccccn2)cs1)c1ccc(=O)[nH]c1 78912610 FPRJMHLJAKKDGI-UHFFFAOYSA-N 326.381 1.866 0 40 EDAB CC(=O)N1CCN(C(=O)CN2C[C@H](C)C[C@@H]2c2ccccc2F)CC1 75900787 DTLQXUASPNGXBG-RDTXWAMCSA-N 347.434 1.899 0 40 EDAB Cc1cc(C(C)C)nc(N2CCN(C(=O)CCn3cncn3)CC2)n1 187286823 JIVWJKVIPDLOLO-UHFFFAOYSA-N 343.435 1.239 0 40 EDAB CCc1n[nH]c(S(=O)(=O)NCCc2cccs2)c1C(=O)OC 48991531 RQVCPLMJZDESPZ-UHFFFAOYSA-N 343.430 1.341 0 40 EDAB CN(Cc1ncc(C=O)cn1)S(=O)(=O)c1ccc(Cl)cc1 49468316 ASONPVMHHAFUDZ-UHFFFAOYSA-N 325.777 1.763 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NCC2(CO)CC2)[C@@H]1c1ccc(F)cc1 223225722 PPFQPDAXPXHXNX-HOCLYGCPSA-N 334.391 1.624 0 40 EDAB COc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CNCCCO2)c1 569678724 WMVLJNYBZCZKJV-NSHDSACASA-N 334.825 1.005 0 40 EDAB C[C@@H]1CN(C[C@@H](O)COCCOc2ccc(F)cc2)C[C@@H](C)O1 226170702 RETOKUOVURNNNX-IIAWOOMASA-N 327.396 1.691 0 40 EDAB CCOc1ccccc1N1C(=O)C(=O)N(CCc2ccnn2C)C1=O 225777098 IDBLRYXWJRCNEP-UHFFFAOYSA-N 342.355 1.357 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)NCCCOC(C)C 40528424 MRQZZOHPRCRKFI-UHFFFAOYSA-N 332.422 1.138 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCc2c1cnn2C 87059047 ZVIQHPDUUOBDBP-STQMWFEESA-N 343.435 1.786 0 40 EDAB Cc1ccc(NC(=O)CCn2cnc3snc(C)c3c2=O)nc1 225576681 RSRCCXKUQKLDDV-UHFFFAOYSA-N 329.385 1.894 0 40 EDAB O=c1c2c(-c3ccc(F)cc3)n3ncnc3nc2ccn1-c1ncn[nH]1 40398330 RVYJLDVZAXNRRJ-UHFFFAOYSA-N 348.301 1.353 0 40 EDAB Cn1cc(NC(=O)C(=O)N(CCc2cccc(F)c2)C2CC2)cn1 190168200 XSOCWYXCZWNVDY-UHFFFAOYSA-N 330.363 1.731 0 40 EDAB C[C@H](NC(=O)c1ccc(C(=O)O)cn1)c1nnnn1-c1ccccc1 577690231 UMMKNCUISDUTDX-JTQLQIEISA-N 338.327 1.247 0 40 EDAB CN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(Cc1cnn(C)c1)CC2 96061516 ROHJOTQLXUDWIR-INIZCTEOSA-N 342.447 1.134 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 96072391 AOZJSEPMBDIKKW-FUHWJXTLSA-N 328.416 1.765 0 40 EDAB CN1C[C@H]2CCN(C(=O)c3ccc(Cl)cc3)CC[C@H]2S1(=O)=O 96145572 VSDILNXDWMQWRP-TZMCWYRMSA-N 342.848 1.836 0 40 EDAB CCN1CCCC[C@@H]1C(=O)NCCc1ccc(S(C)(=O)=O)cc1 96426577 VHCUEOYETPFZEJ-MRXNPFEDSA-N 338.473 1.623 0 40 EDAB Cc1ccc(C(=O)N2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)o1 96066985 ZBNFYVXBFDJHOV-AWEZNQCLSA-N 342.399 1.679 0 40 EDAB CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(C(=O)c3cccn3C)C2)C1 96074501 IDXOFQRDYYIJSW-KRWDZBQOSA-N 332.404 1.253 0 40 EDAB C[C@](NC(=O)c1cccc2c1OCC(=O)N2)(C(N)=O)c1ccccc1 96404132 NGHDJSRQAWAGGB-GOSISDBHSA-N 339.351 1.148 0 40 EDAB O=C(NCc1ccco1)C1=NO[C@@]2(CCN(Cc3ccco3)C2)C1 96225839 ASESIOHCQKARGM-KRWDZBQOSA-N 329.356 1.910 0 40 EDAB Cc1nc(COC[C@@H]2CC[C@H]3[C@H](CCN3S(C)(=O)=O)O2)cs1 96186147 RXRVUAMJXVWHCX-IHRRRGAJSA-N 346.474 1.550 0 40 EDAB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)CC1=O 96239418 QEVBELNPPOUIDF-CRAIPNDOSA-N 347.415 1.421 0 40 EDAB Cn1nnc2c1CCN(C(=O)Cc1ccccc1)[C@@H]2COCC1CC1 96045279 SHLTUUSLWCIVQL-QGZVFWFLSA-N 340.427 1.910 0 40 EDAB CN(C)c1ncnc2c1CCN(C(=O)COc1ccccc1)CC2 96255428 CXBXQLHHYYQNBG-UHFFFAOYSA-N 326.400 1.549 0 40 EDAB COC[C@]1(C(N)=O)CCCN1C(=O)C[C@@H](C)Cc1cccc(F)c1 585088494 KOBSSDQTGHORIM-UGSOOPFHSA-N 336.407 1.887 0 40 EDAB Cc1ccc(-c2noc(-c3cn(C[C@H]4CCCNC4)nn3)n2)nn1 95512713 VCVKZFBUCZVUIS-NSHDSACASA-N 326.364 1.093 0 40 EDAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cocn2)C3)n1 247879380 QHDPAGUEUMJZHE-HNNXBMFYSA-N 343.383 1.968 0 40 EDAB C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 248018996 LMYMIHBQUIVGBA-QLFBSQMISA-N 346.493 1.512 0 40 EDAB CC(=O)N(C)CC(=O)N1C[C@]2(C)CN(Cc3ccccc3)C[C@]2(C)C1 585129139 YYSOIXQNFGIFSB-BGYRXZFFSA-N 343.471 1.835 0 40 EDAB CN(C)C(=O)CNC(=O)C1=Cc2ccccc2O[C@H]1C(F)(F)F 585131879 IXSHXLBMUJCMGB-CYBMUJFWSA-N 328.290 1.598 0 40 EDAB Cn1cccc(C(=O)NC[C@@H](c2ccco2)N2CCSCC2)c1=O 245053636 PDZGYLGKBTUIGC-AWEZNQCLSA-N 347.440 1.498 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)n1 257296072 RBCKKDRBQRHTCQ-HNNXBMFYSA-N 341.415 1.376 0 40 EDAB CNC(=O)c1cccc([C@H]2CNCCN2Cc2cnn(C)c2C)c1 257217688 DADDLKVACJYAAS-QGZVFWFLSA-N 327.432 1.235 0 40 EDAB CN1CCC(Cc2cnc(CNC(=O)CC3CCOCC3)cn2)CC1 257232430 GKUVPXWSUKFEPB-UHFFFAOYSA-N 346.475 1.794 0 40 EDAB Cc1ccn(CCC(=O)N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)n1 257271572 MYWSYSKYCRVIMI-HZPDHXFCSA-N 333.363 1.371 0 40 EDAB CCn1cc(C(=O)N2CCC[C@@H](Cc3nccnc3NC)C2)cn1 257318075 VMKBVWVBDALQGA-ZDUSSCGKSA-N 328.420 1.830 0 40 EDAB Cn1nccc1C(=O)NCc1nnc2ccc(-c3ccsc3)nn12 253397259 FLGIGCZIJFSDKP-UHFFFAOYSA-N 339.384 1.516 0 40 EDAB O=C(c1ccco1)N1CCO[C@@H]2[C@H](COc3ncccn3)CC[C@H]21 253615957 MAPATMAYTRBABP-GZBFAFLISA-N 329.356 1.768 0 40 EDAB O=C(c1cnc(C2CC2)nc1)N1CCC[C@H](c2ccnc(O)n2)C1 257213083 CGCONQYHPATJMI-LBPRGKRZSA-N 325.372 1.869 0 40 EDAB Cc1cnc(C(=O)NCCS(=O)(=O)CCc2ccccc2)cn1 252507504 WNJYCKNEQCHKPD-UHFFFAOYSA-N 333.413 1.172 0 40 EDAB CNC(=O)c1cc(C[C@H]2CCCN(Cc3cncs3)C2)ncn1 257281431 OPDYDNQCDUQUMR-GFCCVEGCSA-N 331.445 1.747 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)nc(C)n1 257323963 WMPJREMPIXNESZ-KRWDZBQOSA-N 343.431 1.668 0 40 EDAB CCn1nccc1-c1cncc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257277662 NYWWKTLOVXIBID-LBPRGKRZSA-N 335.433 1.499 0 40 EDAB COCCn1cc(NS(=O)(=O)c2cc(C(=O)O)sc2C)cn1 387900672 UQGYBXJHLNZJLG-UHFFFAOYSA-N 345.402 1.398 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3ccncc3CO)CC2)C1 1615057261 ZRCIYJTWTUFPMP-HZPDHXFCSA-N 346.475 1.200 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575403080 IJZIUROVSPRVDG-GFCCVEGCSA-N 328.459 1.759 0 40 EDAB CN1c2ccc(F)cc2N(CC(=O)NCc2ccccc2)S1(=O)=O 575608833 KVVFCNHSZGZJPE-UHFFFAOYSA-N 349.387 1.643 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)Cc2cc(F)ccc2Br)[C@@H]1O 585291488 PHCZQMFVTAUPAE-MCIONIFRSA-N 348.212 1.795 0 40 EDAB O=C1COc2ccc(S(=O)(=O)NC(=O)c3cccs3)cc2N1 585273060 QMKVGWGIENHASO-UHFFFAOYSA-N 338.366 1.198 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ccc(=O)oc1 585287756 FBBZYTQQNIAQPV-SCLBCKFNSA-N 348.399 1.318 0 40 EDAB NC(=O)C[C@@]1(CO)CCCN1C(=O)c1ccccc1C(F)(F)F 585279105 SYQUWBOLZRTHBZ-CQSZACIVSA-N 330.306 1.548 0 40 EDAB Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3CC2CC2)c(C(F)F)n1 585107646 FUQKHAWSMOFJOM-RYUDHWBXSA-N 338.358 1.583 0 40 EDAB CO[C@]1(CC(N)=O)COCCN(C(=O)c2ccc(Cl)cc2)C1 585280125 APKTWEXRSONCER-HNNXBMFYSA-N 326.780 1.073 0 40 EDAB COc1cccc(CN(C)Cc2nc(N)nc(N(C)C)n2)c1OC 27351192 KCLBDNIMJRPNEV-UHFFFAOYSA-N 332.408 1.169 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)C1(c2ccc(F)cc2)CC1 585279125 UAIXXCUHBYBDQG-KRWDZBQOSA-N 334.391 1.740 0 40 EDAB CC(=O)N1CC[C@@H](CNS(=O)(=O)c2cnc3ccsc3c2)C1 585141922 IMVVEPUOZJUTDH-NSHDSACASA-N 339.442 1.443 0 40 EDAB CN(C)[C@H](CNC(=O)CNC(=O)c1ccccc1)c1cccc(F)c1 27593097 BVVXHKDRAWAYLM-QGZVFWFLSA-N 343.402 1.975 0 40 EDAB O=C(NCc1ccccc1CO)C(=O)Nc1cnc2ccccc2c1 69812909 YPVKPCXJPKWUDJ-UHFFFAOYSA-N 335.363 1.982 0 40 EDAB CCCn1nnnc1CN(C)[C@H]1CCCN(c2ccccc2)C1=O 71909078 USZKCWOSXWXZFS-HNNXBMFYSA-N 328.420 1.711 0 40 EDAB C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CC(N)=O 52831255 BOMZRKYFUWLLOR-SNVBAGLBSA-N 342.237 1.213 0 40 EDAB Cn1nc2c(cc1=O)CN(Cc1cc(Cl)c3c(c1)OCCO3)CC2 76064675 HYJCZNIFNCLMKA-UHFFFAOYSA-N 347.802 1.763 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)c2ccnc(N3CCCC3)n2)no1 76043807 ZEBDFOKQWFJSOY-CYBMUJFWSA-N 328.376 1.746 0 40 EDAB CCc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1cncc(F)c1 76050218 DNAVOBRQPWTMKI-ZDUSSCGKSA-N 338.408 1.833 0 40 EDAB Cc1nc(CNC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)n[nH]1 76041466 IHJIVDBEQAFAIM-SFHVURJKSA-N 341.415 1.672 0 40 EDAB O=C(CS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCOCC1 77638482 RQEVBVQANOGZMQ-UHFFFAOYSA-N 337.319 1.338 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 95447246 KYLKERHGVVCARH-ZIAGYGMSSA-N 346.410 1.774 0 40 EDAB C[C@H](NC(=O)Nc1cccn(C)c1=O)c1ccc(-n2ccnn2)cc1 95975254 JRUUAWYWQZAYQR-LBPRGKRZSA-N 338.371 1.849 0 40 EDAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)N1CCOCC1 206846209 NCQAVPBZEOEHTD-AWEZNQCLSA-N 344.371 1.587 0 40 EDAB CN1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 22999729 NWRBYKRCAIWCLU-UHFFFAOYSA-N 326.418 1.078 0 40 EDAB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1 226302103 QFGZMUICYBKRBA-WEVVVXLNSA-N 335.337 1.869 0 40 EDAB CC(C)(C)NC(=O)NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 8868002 MWJZJCWJBYZXSH-LLVKDONJSA-N 335.360 1.838 0 40 EDAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)c2nccn2C)ccn1 1848352002 BTMZMUNUNLIQJY-OAHLLOKOSA-N 327.388 1.429 0 40 EDAB CNC(=O)[C@]1(C)CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CCO1 1848352389 JEKDILZYZFORKB-SFHVURJKSA-N 329.400 1.762 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1cccs1)N(C)C 36079593 BOCKEHDAIDNWSQ-NSHDSACASA-N 329.447 1.934 0 40 EDAB Cc1nnc(N2CC(NC(=O)[C@@H]3CCc4ccccc4O3)C2)s1 1888850015 ONJWQCPAEGJBAY-AWEZNQCLSA-N 330.413 1.545 0 40 EDAB Cn1cnc(N2CCN(c3nc4ccccc4s3)CC2)cc1=O 1888897329 ZRRYWSYWVCYESQ-UHFFFAOYSA-N 327.413 1.717 0 40 EDAB Cc1cc2ncnc(N3CCN(c4ccnc(N(C)C)n4)CC3)c2[nH]1 1889148928 MUXFUISRSMPIMG-UHFFFAOYSA-N 338.419 1.449 0 40 EDAB CCn1ncc(Br)c1C(=O)NCCCN1CCOCC1 26770309 RHZDNIMUAMQWQL-UHFFFAOYSA-N 345.241 1.118 0 40 EDAB Cc1cnn(C)c1-c1n[nH]c2c1CCN(C(=O)c1csnn1)CC2 2056226418 QZIIMNCKJPXVSO-UHFFFAOYSA-N 343.416 1.211 0 40 EDAB CC(C)CNC(=O)c1ncn2c1CN(C(=O)CC1(O)CCC1)CCC2 1565547853 ONWNLKZXJQQXEZ-UHFFFAOYSA-N 348.447 1.306 0 40 EDAB CC(C)N(C)CC(=O)N1CC[C@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 1565552000 YQJQTPKXZAKDRP-ROUUACIJSA-N 348.491 1.699 0 40 EDAB CCOc1ccccc1NC(=O)CN1C(=O)[C@@H](C)S[C@H](C)C1=O 2710940 DSXIMSYFRUWQEU-GHMZBOCLSA-N 336.413 1.903 0 40 EDAB CC(=O)c1ccc(NC(=O)CSc2nc(O)c3cn[nH]c3n2)cc1 4249643 PRTDWWAAAYTETP-UHFFFAOYSA-N 343.368 1.992 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H]2CCc3onc(CN(C)C)c3C2)cc1 2055734734 PJHZRVVZJHZUTL-ZDUSSCGKSA-N 349.456 1.880 0 40 EDAB C[C@@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)C12CC3CC(CC(C3)C1)C2 12401776 LKQVKTBGAILYDY-UZNLNLPZSA-N 345.443 1.419 0 40 EDAB O=C1CN(Cc2ccco2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 56998187 JEZRKQQYUXLFQO-HOTGVXAUSA-N 346.408 1.294 0 40 EDAB COc1ccc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)cc1C 30325786 WNHYNDWUKRWWLF-AWEZNQCLSA-N 343.445 1.868 0 40 EDAB CC(C)CN1C[C@H](C(=O)NCCOc2ccc3c(c2)OCO3)CC1=O 40121799 IOBSELNYKRAUEG-CYBMUJFWSA-N 348.399 1.415 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cnn(-c2ccccc2)c1C1CC1 30805390 LAVJHYQBKNYPPW-CYBMUJFWSA-N 345.424 1.667 0 40 EDAB O=C(CNC(=O)c1ccccc1)NCc1ccc(Cn2ccnc2)cc1 40477385 VGZNROANIUOPMR-UHFFFAOYSA-N 348.406 1.978 0 40 EDAB CN(C(=O)c1ccn(-c2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 31611762 RTKSFDNWSORRTM-ZDUSSCGKSA-N 337.376 1.271 0 40 EDAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CC(=O)NCc2ccco2)C1 51055986 AYMVATCVJFNBHC-HUUCEWRRSA-N 335.448 1.913 0 40 EDAB CCCNC(=O)CN1C(=O)COc2cc(Br)ccc21 31816860 NUCXCVAGLUWKFM-UHFFFAOYSA-N 327.178 1.701 0 40 EDAB CC(C)COc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cn1 40548778 FTQWEWMOOAIZIF-UHFFFAOYSA-N 341.415 1.869 0 40 EDAB CNC(=O)[C@H](C)NC(=O)COc1ccc(Br)cc1F 40556131 KVEHVRRXDSVNQI-ZETCQYMHSA-N 333.157 1.218 0 40 EDAB CC(C)Oc1cccc([C@H](C)NC(=O)CN(C)S(C)(=O)=O)c1 40534899 SFXGIPQLSGCCOR-LBPRGKRZSA-N 328.434 1.542 0 40 EDAB CC(C)N(C)C(=O)c1ccc(CNC(=O)c2ccn(C)c(=O)c2)cc1 40509801 RBXBBFLHJJYSBV-UHFFFAOYSA-N 341.411 1.796 0 40 EDAB CC(=O)c1c[nH]c(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 52166779 ALZCSAFHUDPNNI-SECBINFHSA-N 335.385 1.356 0 40 EDAB NC(=O)c1ccsc1NC(=O)CCN1CCC2(CC1)OCCO2 32825311 ACISXOYTMSPLDW-UHFFFAOYSA-N 339.417 1.015 0 40 EDAB O=C1CCCc2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)O)ccc2N1 32917856 QCRVFNBKGBQHRT-CYBMUJFWSA-N 338.385 1.199 0 40 EDAB CC(C)C[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(C)C(=O)[C@H]12 103012414 LNDDHBCAIXTWCG-JQZVDIJISA-N 341.411 1.107 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1 41618638 TUQDNKOIKOBSQP-CHWSQXEVSA-N 325.434 1.207 0 40 EDAB O=C(Cn1cncn1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 41997643 HSESFOSZYWLNJG-AWEZNQCLSA-N 328.372 1.803 0 40 EDAB O=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCO1 53743017 JKWWHBNJAHXFMV-MRXNPFEDSA-N 349.406 1.160 0 40 EDAB CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(N)=O 47495737 QBJSFJVAAIKOPX-UHFFFAOYSA-N 348.380 1.847 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)N1CCC[C@@H]2CCCC[C@H]21 23700829 GEGFKCCLHGQPLF-DLBZAZTESA-N 343.475 1.780 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2nccn(C)c2=O)C1 78462405 UTJUVGYOUVOXMD-NSHDSACASA-N 346.353 1.408 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 24482381 CUPBDZONHQXANX-LBPRGKRZSA-N 348.353 1.710 0 40 EDAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(-n2nc(C)nc2C)cc1 79651013 WLULLOUZHZQEPR-MRXNPFEDSA-N 343.431 1.775 0 40 EDAB O=C(NC[C@H](O)CN1CCc2ccccc2C1)Nc1nncs1 43128855 AAPNCYWCRSCYNW-ZDUSSCGKSA-N 333.417 1.079 0 40 EDAB CCCN1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1 55171338 ROCLMUGSVJEWGZ-UHFFFAOYSA-N 336.417 1.119 0 40 EDAB C[C@H]1CN(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 106033911 WHPXDOIIMKPSRD-GRYCIOLGSA-N 341.433 1.214 0 40 EDAB CCN1C(=O)[C@H]2[C@H](c3ccc(C)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 4884571 WBUOAAWGZNQQAU-KHSSZTOVSA-N 330.384 1.192 0 40 EDAB COCCOC[C@@]1(CNCc2ccc(F)cc2)C[C@H](O)[C@H](O)C1 107283898 IZFDMIKYSQJBGH-BJWYYQGGSA-N 327.396 1.080 0 40 EDAB biogenic,in-vitro CCOc1ccc([C@@H](C)NC(=O)Cn2cccnc2=O)cc1OCC 25869373 XLDURBPTHYYCDE-CYBMUJFWSA-N 345.399 1.918 0 40 EDAB COc1cccc(C(=O)NCCNC(=O)c2cc(C(C)=O)c[nH]2)c1 26375922 UDXXNHBKVZJJNI-UHFFFAOYSA-N 329.356 1.386 0 40 EDAB Cc1[nH]sc(=N)c1C(=O)O[C@@H](C)C(=O)NC(=O)Nc1ccccc1 10213556 KHCKSFYKWDMJMF-VIFPVBQESA-N 348.384 1.758 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 58291798 XEXPXBBHHFGKJS-HNNXBMFYSA-N 333.432 1.532 0 40 EDAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCc1ccc(-n2cccn2)nc1 58296194 KPJFEFVLXNJBEP-ZBFHGGJFSA-N 344.415 1.858 0 40 EDAB O=C(/C=C/c1ccc2c(c1)CCO2)N1CCN(Cc2ncc[nH]2)CC1 72282101 RSKDDXVTLZLEDM-DUXPYHPUSA-N 338.411 1.702 0 40 EDAB COc1c(CNC[C@H](O)COc2c(C)cccc2C)c(C)nn1C 58314902 IWKZCXVSQALFHL-HNNXBMFYSA-N 333.432 1.883 0 40 EDAB Cc1cc(N2CCN([C@@H]3CCCCNC3=O)CC2)nc(C(C)C)n1 10988258 ZXWXRFABFWOCML-OAHLLOKOSA-N 331.464 1.699 0 40 EDAB Cc1cc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)ccc1F 11003660 TWWMWMCEIUNEIH-UHFFFAOYSA-N 333.363 1.615 0 40 EDAB C[C@@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)n1cncn1 45525977 OFIIRCPSUPKFBI-AWEZNQCLSA-N 327.432 1.792 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN(C)Cc1cnn(C)c1 29065913 KVQJKPIAPWJDDB-UHFFFAOYSA-N 328.416 1.840 0 40 EDAB CC(C)N(C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCC[C@@H]1O 110704870 IRYVKQPJWVWHGZ-PMPSAXMXSA-N 332.510 1.672 0 40 EDAB CO[C@H]1CC[C@H](C(=O)NCc2cc(O)nc(N3CCCC3)n2)CC1 100775166 OLLOSKWAOKUKOD-XBXGTLAGSA-N 334.420 1.604 0 40 EDAB CCOC(=O)[C@@]1(NC(=O)CNC(=O)[C@H](C)CC)CCc2ccccc21 72283330 MAPHDCKBJYKODN-BFUOFWGJSA-N 346.427 1.670 0 40 EDAB CNC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 47357950 JBVGGRAWPLFGAI-CYBMUJFWSA-N 329.278 1.218 0 40 EDAB CCN(CC)c1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cn1 48173149 XLEGJQQAOYRASB-LBPRGKRZSA-N 340.449 1.484 0 40 EDAB O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1c(F)cccc1Cl 97147037 ODTCONFHVSYHIF-NSHDSACASA-N 348.827 1.621 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)C3CC3)CC2)c1C 12787235 AQQOXPVKZWNXNB-UHFFFAOYSA-N 333.388 1.113 0 40 EDAB COc1cc(CNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)ccn1 69921478 CEVFMRZABQLMRW-INIZCTEOSA-N 348.447 1.344 0 40 EDAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nn1cnc2ccccc21 12896038 CZCRNTAFDSVJAG-UHFFFAOYSA-N 346.368 1.076 0 40 EDAB CCOC(=O)CCCOC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 3440345 QUODPPAHGGMIMV-UHFFFAOYSA-N 343.401 1.437 0 40 EDAB COc1cc(/C=C/C(=O)OCC(=O)N2CCCC2)cc(OC)c1OC 3415405 FWDZGIKARBSCIK-VOTSOKGWSA-N 349.383 1.891 0 40 EDAB Cn1cc(NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc(Br)c1=O 110676694 IHDGEFNSZCLTSX-WCABBAIRSA-N 327.178 1.654 0 40 EDAB CCc1cc(C(=O)N2CCC(CS(N)(=O)=O)CC2)sc1C 65491660 VDDHNVMBBOMOQQ-UHFFFAOYSA-N 330.475 1.760 0 40 EDAB CC(C)c1noc(CN2CCN(c3ncnc4c3cnn4C)CC2)n1 65440609 UIRZNOJVOVBWKR-UHFFFAOYSA-N 342.407 1.192 0 40 EDAB CCc1nc2ccccc2n1CC(=O)N(CC(N)=O)C1CCCC1 65522126 MMQDDRPOGVIGOH-UHFFFAOYSA-N 328.416 1.855 0 40 EDAB CC(=O)c1csc(NC(=O)CN2C(=O)COc3ccccc32)n1 14108792 ATMVMPPGKBGKIF-UHFFFAOYSA-N 331.353 1.710 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H]1CN1CCCCC1 65604244 LYTKEGACRCUQNM-INIZCTEOSA-N 333.480 1.926 0 40 EDAB Cc1cccnc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 9322746 GAOQROZHGHDXNT-YVEFUNNKSA-N 330.388 1.829 0 40 EDAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1cc(F)ccc1C 6607080 OUAWTEDISBSMNC-YMTOWFKASA-N 339.367 1.699 0 40 EDAB CCOc1cc2c(cc1CN[C@H]1CCS(=O)(=O)C1)O[C@H](C)C2 72712747 HGICHLNNLIHCSW-RISCZKNCSA-N 325.430 1.685 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)no1 15879375 WABDNRPJPRDBDJ-UHFFFAOYSA-N 327.296 1.620 0 40 EDAB Cc1nc2n(n1)C[C@H](Nc1nc3c(cnn3C(C)(C)C)c(=O)[nH]1)CC2 71794516 XGWUVDIDFFAMCG-SNVBAGLBSA-N 342.407 1.201 0 40 EDAB COc1ccc([C@@H](CNC(=O)Nc2ccc(=O)n(C)c2)N(C)C)cc1 95377525 SYLSZWTZRPEKPC-MRXNPFEDSA-N 344.415 1.818 0 40 EDAB COc1ccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl 8024817 LGZZHDQJJBSMEG-VIFPVBQESA-N 339.822 1.277 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)c(C)c1 28207603 PINQOXQZHQKOQW-UHFFFAOYSA-N 340.445 1.683 0 40 EDAB C[C@@H](Cc1ccccc1Br)NC(=O)[C@H]1CC(=O)N(C)C1 84640762 DVRVOUGCCQVSHD-JQWIXIFHSA-N 339.233 1.975 0 40 EDAB O=C1CN(Cc2ccc(C(=O)N=c3[nH]c4ccccc4[nH]3)cc2)CCN1 69383133 PZGSHMWNXYGLQP-UHFFFAOYSA-N 349.394 1.169 0 40 EDAB O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1ccc(N2CCCC2)nn1 69382606 MHJHAXZGUICMPJ-HIFRSBDPSA-N 326.404 1.797 0 40 EDAB Cc1csc(N2CCN([C@@H](C)C(=O)NCC(F)(F)F)CC2)n1 69390290 PBTGLTWCYLNANC-JTQLQIEISA-N 336.383 1.641 0 40 EDAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N(CC(N)=O)C(C)C 8343684 PGZSPVYJGXQPQV-UHFFFAOYSA-N 335.795 1.565 0 40 EDAB Cc1cnn(C[C@H](C)NCC(=O)NC[C@H]2COc3ccccc3O2)c1 69571492 AZTHNJSEUUZWSR-GJZGRUSLSA-N 344.415 1.126 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)NCc2ccccn2)n1 69521457 XWRGTSBYUARKCJ-INIZCTEOSA-N 328.420 1.071 0 40 EDAB CN(C)c1ccc(CCNC(=O)CNC(=O)c2ccccc2)cc1 69530854 AITDVXVKPQCZOK-UHFFFAOYSA-N 325.412 1.841 0 40 EDAB CCCCn1nnnc1CN1CCCC[C@H]1Cn1nc(C)nc1C 69597786 SDDAKWUPMKLLAM-HNNXBMFYSA-N 332.456 1.736 0 40 EDAB CCn1ccnc1CN1CCN(c2nc(C)cc(N(C)C)n2)CC1 69570737 FUGIZEUYKVTHNM-UHFFFAOYSA-N 329.452 1.390 0 40 EDAB COc1ccc(NC(=O)c2ccco2)c(N2CCN(C(C)=O)CC2)n1 69532260 RFELKWQIBXZYQR-UHFFFAOYSA-N 344.371 1.604 0 40 EDAB CCCc1noc(Cn2c(CS(C)(=O)=O)nc3ccccc32)n1 71802081 GAYDNHPVDHJZCN-UHFFFAOYSA-N 334.401 1.965 0 40 EDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1cc(-c2ccccc2)on1 69744495 OHTZMQRDVQPFBG-NSHDSACASA-N 334.397 1.924 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N[C@@H]2CCCN(Cc3noc(C)n3)C2)on1 69842481 FYYQEOXBDCRLIM-WCQYABFASA-N 348.407 1.256 0 40 EDAB CC[C@@H]1CCCCN1C(=O)CN(C)CC1CCN(C[C@@H](C)O)CC1 69818222 LOJFWGYZHALMSJ-SJLPKXTDSA-N 339.524 1.802 0 40 EDAB Cc1ccc(NC(=O)CN2CCC[C@@H](CN3CCOCC3)C2)cc1 69803915 ICWJYCCZVVCPFL-KRWDZBQOSA-N 331.460 1.978 0 40 EDAB CO[C@H](C)c1cccc(NC(=O)C(=O)N[C@H]2CCN(C(C)C)C2)c1 69809001 CERWDNCRGPGFMJ-CJNGLKHVSA-N 333.432 1.931 0 40 EDAB Cc1nn(CC(=O)NC2(C(=O)O)CCCCC2)c(=O)c2ccccc12 71802785 HZNPJIRXQUITAD-UHFFFAOYSA-N 343.383 1.609 0 40 EDAB O=C(CCCc1ccccn1)N1CCCN(c2cccnn2)CC1 71871676 MZPYJAHJWGYLFH-UHFFFAOYSA-N 325.416 1.933 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)N2CCOC(C)(C)C2)ccc1F 69716828 UGDFCQPPONBBIR-UHFFFAOYSA-N 334.355 1.753 0 40 EDAB C[C@@H](C(=O)NCCc1ccccc1)N1CCC[C@H](Cn2cncn2)C1 69926438 ATMORZMTFGEGMM-WMZOPIPTSA-N 341.459 1.738 0 40 EDAB CCN1CCN(CC(=O)N[C@@H](c2ccc(C)o2)C(C)(C)C)C(=O)C1=O 69925426 FDCAKEZKCVFCRH-HNNXBMFYSA-N 349.431 1.482 0 40 EDAB COC(=O)[C@H](C)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 71924090 QVGPRESXVSHYPQ-HNNXBMFYSA-N 345.443 1.145 0 40 EDAB CC1CCN(C[C@@H](O)CNS(=O)(=O)Cc2ccccc2F)CC1 95433036 PFWNCYDNHRYJLV-HNNXBMFYSA-N 344.452 1.338 0 40 EDAB C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)C 87056366 HKMGZTJJJNYWMS-VIFPVBQESA-N 334.235 1.947 0 40 EDAB CCCOc1ccccc1NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 8844445 ZCXCQTOWQQAZTD-LLVKDONJSA-N 333.431 1.404 0 40 EDAB COC(=O)c1ccc(OS(=O)(=O)c2c(C)n[nH]c2C)c(OC)c1 9737385 SEGUBIZAGNALOY-UHFFFAOYSA-N 340.357 1.589 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N1CCc3sccc3C1)CC2 72268044 IFDKZXQHCYNHFS-CYBMUJFWSA-N 331.445 1.137 0 40 EDAB Cc1cc(NCCNCc2cnn(C(C)(C)C)c2)n2ncnc2n1 72294574 CRBWDVUVYKFGQK-UHFFFAOYSA-N 328.424 1.586 0 40 EDAB Cc1ccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1F 72287078 ZQGRRHVHAKNEHX-UHFFFAOYSA-N 346.362 1.442 0 40 EDAB CN1CCN(C(=O)Nc2ccc(=O)n(C)c2)[C@@H](c2ccccc2)C1 95955685 DITAEWLKDBOOQA-MRXNPFEDSA-N 326.400 1.906 0 40 EDAB CCc1nn(C)cc1CNC(=O)N1CCC(O)(C(F)(F)F)CC1 95985307 FSXXHRZANVVILG-UHFFFAOYSA-N 334.342 1.581 0 40 EDAB CN(C)C1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1 89314078 CPWYFTQVAFMEQX-UHFFFAOYSA-N 328.420 1.503 0 40 EDAB CN1CCN(C(=O)NC(C)(C)C)[C@@H](CNC(=O)OC(C)(C)C)C1 89487560 PPHXODHHHSQXRD-LBPRGKRZSA-N 328.457 1.635 0 40 EDAB CC(C)[C@@H](NC(=O)CSCc1nc(N)nc(N)n1)c1ccccc1 89801765 KTIOVAWWMPHHOC-CQSZACIVSA-N 346.460 1.783 0 40 EDAB O=C1CN(c2ccc(NC(=O)Cc3ccc(Cl)nc3)cc2)CCN1 75610188 FWNFHSORAUOPCE-UHFFFAOYSA-N 344.802 1.852 0 40 EDAB CC1(C)CN=C(N2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)S1 76019173 BDHXEVHKTULBLZ-UHFFFAOYSA-N 346.456 1.425 0 40 EDAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(Cl)cn1 27975989 ZBUSFNANVMJNJO-UHFFFAOYSA-N 330.735 1.728 0 40 EDAB CCN1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1 27936803 CLVQZRFDHRTPDG-UHFFFAOYSA-N 330.354 1.943 0 40 EDAB CC(C)C[C@H](C)Oc1cc(CNC(=O)N2CCNC(=O)[C@@H]2C)ccn1 111871701 HFAKRJRYFSANRQ-KBPBESRZSA-N 348.447 1.925 0 40 EDAB COc1cc(-c2noc(C3CCNCC3)n2)c(OC)c2c1OCO2 66088534 RTZNRLPLHMLOHD-UHFFFAOYSA-N 333.344 1.950 0 40 EDAB COC(=O)CNC(=O)C1CCN(c2nc3ccccc3s2)CC1 35314172 ASLBFASMWSDAPP-UHFFFAOYSA-N 333.413 1.802 0 40 EDAB c1cncc(-c2c[nH]c([C@@H]3COCCN3Cc3csnn3)n2)c1 72322048 DPWNCURMQXHOLG-AWEZNQCLSA-N 328.401 1.897 0 40 EDAB biogenic,in-vitro COC(=O)c1cc(OC)ccc1OC(=O)C[C@H]1CCS(=O)(=O)C1 78442925 FOQQWWYSLZFMGZ-SNVBAGLBSA-N 342.369 1.212 0 40 EDAB CCNC(=O)C1CN(c2ccccc2S(=O)(=O)C(F)(F)F)C1 72313869 DFRUUTOFWQDEOL-UHFFFAOYSA-N 336.335 1.552 0 40 EDAB COC(=O)c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)ccc1Cl 137593754 TUVAKQNFJQZMQW-FNFFVJSTSA-N 333.727 1.569 0 40 EDAB CCN(CC)Cc1c(C(=O)O)[nH]c(=O)n(-c2cccc(C)c2)c1=O 222658629 VBDRFCDVURMMEA-UHFFFAOYSA-N 331.372 1.374 0 40 EDAB C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ncc2c(F)cccn12 529366909 QFWOHEYBNGOFOR-CHWSQXEVSA-N 332.379 1.409 0 40 EDAB Cc1csc([C@@H]2CN(C(=O)NCCC3(C)OCCO3)CCO2)n1 225759661 VJUQJBOMRUNWQE-LBPRGKRZSA-N 341.433 1.688 0 40 EDAB CCN(CC)C(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1 225956614 ZFXPYAOURIRIEO-CQSZACIVSA-N 328.434 1.544 0 40 EDAB COc1ccc(O[C@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3)C2)nn1 225434752 IVOVHMUFMHLJPH-HIFRSBDPSA-N 343.383 1.932 0 40 EDAB CS(=O)(=O)CC1(CC(=O)N2CCC(Cc3ncc[nH]3)CC2)CC1 329163374 GKJVISAVHXJKHH-UHFFFAOYSA-N 339.461 1.406 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)Nc2nnc(SC)s2)c1 225417719 MZTDXDOFPTUEDZ-UHFFFAOYSA-N 344.443 1.420 0 40 EDAB C[C@@H](C(=O)Nc1nccs1)N1CCC(c2nnc3n2CCC3)CC1 95953922 HQLSSIYIUARTBN-NSHDSACASA-N 346.460 1.887 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)NCc1ccccc1OCC1CC1 96417825 GFGUZRNBCWIDJX-ZDUSSCGKSA-N 329.404 1.955 0 40 EDAB CCOc1ncnc2c1CCN(C(=O)NCc1cccnc1)CC2 96255616 GPRZTJAGPXAOIR-UHFFFAOYSA-N 327.388 1.581 0 40 EDAB O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccoc1)N1CCCC1 96041669 URBSFCQXVBDCHL-LZLYRXPVSA-N 334.416 1.650 0 40 EDAB O=C1N(CCO)CCC[C@]12CCN(c1nccc(C3CCCC3)n1)C2 91893212 DUMVXNAGBZSXOR-LJQANCHMSA-N 344.459 1.945 0 40 EDAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2[nH]cnc2c1 96115554 OGZRSJPSYGIIKQ-OAHLLOKOSA-N 349.350 1.642 0 40 EDAB biogenic Cc1ccc(CN2CCC3(CCOC[C@H]3NS(C)(=O)=O)CC2)o1 96220117 LXTLPZCNTFACRO-OAHLLOKOSA-N 342.461 1.508 0 40 EDAB Cn1cccc1C(=O)NC[C@H]1COCc2c(-c3ccoc3)nnn2C1 96045661 NSTWKGRJCJIAPU-GFCCVEGCSA-N 341.371 1.453 0 40 EDAB CC(C)CCS(=O)(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1 583616354 HXDXVKLMBVSZFP-OAHLLOKOSA-N 344.481 1.518 0 40 EDAB COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1C(=O)NCCC[S@](C)=O 583619916 XOBODBLLPJLMGN-HBAYXTBCSA-N 337.441 1.620 0 40 EDAB COc1ncccc1CN1CC[C@@H](N(C)C)[C@@H]1Cc1cnn(C)c1 96200898 ADZIVADDFPTGDH-SJORKVTESA-N 329.448 1.571 0 40 EDAB O=C(COC[C@@H]1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1)N1CCCC1 96250621 SZLHCSQKAVYJOF-JYJNAYRXSA-N 346.431 1.099 0 40 EDAB CC(C)(O)[C@@H]1CCCN1C(=O)NCc1ccnc(-n2cccn2)c1 97375520 AKLHCENOOAXQKZ-AWEZNQCLSA-N 329.404 1.712 0 40 EDAB O=C(Nc1cc(F)ccc1-n1cccn1)N[C@H]1CCc2ncnn2C1 97104124 WCHRXDFBHLFWPC-LBPRGKRZSA-N 341.350 1.739 0 40 EDAB C[C@H](c1cccnc1)N1CCN(CC(=O)NCc2ccccn2)CC1 96424307 CYJXAMUUSWLZDE-MRXNPFEDSA-N 339.443 1.472 0 40 EDAB COCC(=O)N1CCC2(CCC(=O)N2Cc2ccc(OC)cc2)CC1 96228285 JGZLHHLRDXMLTG-UHFFFAOYSA-N 346.427 1.825 0 40 EDAB CC[C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 585118621 WAAJYFGWVQGXTM-HNNXBMFYSA-N 340.445 1.323 0 40 EDAB O=C(c1ncccn1)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 247842012 FTLYXGQOZXXXRS-GFCCVEGCSA-N 344.346 1.321 0 40 EDAB CNC(=O)[C@@H]1CCC[C@]12CCN(S(=O)(=O)c1ccccc1C)C2 248022804 MYBAOIWAUMQAFT-WMLDXEAASA-N 336.457 1.922 0 40 EDAB CCOC(=O)c1ccn(-c2ccccc2NC(=O)N2CC[C@H](O)C2)n1 345701347 ZXAUUQPZNRBVCF-LBPRGKRZSA-N 344.371 1.648 0 40 EDAB Cn1cncc1-c1nccnc1C1CCN(C(=O)c2cncnc2)CC1 257248384 JDKSMMTZSFMWDR-UHFFFAOYSA-N 349.398 1.687 0 40 EDAB CNC(=O)[C@H]1CCN(Cc2cn(-c3ccccc3C(=O)O)cn2)C1 257223466 DXMFGMZFBIPADT-LBPRGKRZSA-N 328.372 1.138 0 40 EDAB CN(C)c1cccc([C@@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)n1 257236934 HEKBOFPDOICBSS-AWEZNQCLSA-N 344.419 1.074 0 40 EDAB COc1ccccc1[C@@H]1CN(S(=O)(=O)N2CCCC2)CCN1C 257227240 FOGXTWWYJKGYQT-HNNXBMFYSA-N 339.461 1.324 0 40 EDAB CC(C)NC(=O)C1CCN(C(=O)[C@@H]2CO[C@H]3C=CC=C[C@H]3O2)CC1 252585610 JUMRYALZEUMCEM-XHSDSOJGSA-N 334.416 1.028 0 40 EDAB Cc1cc2c(cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1)OCC(=O)N2 252494188 NNOOSXVJLXSRGY-PHIMTYICSA-N 340.401 1.124 0 40 EDAB NC[C@@H]1CC[C@H](CC(N)=O)N1C(=O)Cc1c(F)cccc1Cl 257342164 ZNJVHNVNLMJUEP-ZJUUUORDSA-N 327.787 1.215 0 40 EDAB CN1CCN(C(=O)CN2CCCCCC2=O)C[C@H]1c1ccccc1 257204632 AVPMEFIDBQRWNW-KRWDZBQOSA-N 329.444 1.904 0 40 EDAB COc1ncc(CN2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)cn1 257281047 ONKJGUMRYZGHSC-SJLPKXTDSA-N 329.400 1.890 0 40 EDAB COC[C@H](NC(=O)N1CCO[C@@H](c2cnn(C)c2)C1)c1ccc(C)o1 267648493 VTVGBYMUWQAZHM-GOEBONIOSA-N 348.403 1.792 0 40 EDAB COc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 262845304 SQFOEFBNGRPKGZ-CHWSQXEVSA-N 346.383 1.593 0 40 EDAB CC(C)[C@H](NC(=O)Nc1ccc(S(C)(=O)=O)nc1)C(C)(C)O 277231186 JDUWWLZCFOUZBZ-LBPRGKRZSA-N 329.422 1.402 0 40 EDAB COC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](C)n1cnc2c(N)ncnc21 597799901 YEPKLSFCYQTHDG-UWVGGRQHSA-N 348.407 1.064 0 40 EDAB Cc1nocc1S(=O)(=O)N1CCC[C@H](NCC(F)(F)F)C1 1615585454 GQNRPOPPIHKWOY-VIFPVBQESA-N 327.328 1.288 0 40 EDAB O=C(Nc1cncs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1615576274 TUAARSNPCPNRAH-JTQLQIEISA-N 345.380 1.906 0 40 EDAB Cc1ccc(NS(=O)(=O)c2cnc(C3OCCO3)s2)cn1 1615586966 HDAUBQRWHHNCBA-UHFFFAOYSA-N 327.387 1.693 0 40 EDAB COCC[C@@H]1COCCN1C(=O)Nc1nn(-c2cccnc2)cc1C 1615540916 BKPHZINFGMHIKQ-OAHLLOKOSA-N 345.403 1.845 0 40 EDAB C[C@H](NC(=O)[C@H]1C[C@H]1C1CCCCC1)c1nnc2c(=O)[nH]ccn12 1616037931 IKSROUFKSCRARW-DRZSPHRISA-N 329.404 1.811 0 40 EDAB COC(=O)[C@@H]1C[C@@H]2C[C@H](N[C@@H]3CCCC[C@@H]3N3CCOCC3)[C@@H]2C1 1616038880 UIXZDPSNQZCFTE-WJQMWINMSA-N 336.476 1.807 0 40 EDAB CCc1cc(=O)n2[nH]c(NC(=O)[C@@H]3C[C@H]3c3ccsc3)nc2n1 637419174 SVXSXIKRHRKGGF-WDEREUQCSA-N 329.385 1.784 0 40 EDAB O=C(Cn1ccnc1)NC1CCN(c2nc3cccnc3s2)CC1 390828755 UAPCQWCUSJMGBK-UHFFFAOYSA-N 342.428 1.673 0 40 EDAB O=C([C@H]1CCOC1)N1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 575403781 OCECMXUFUFFMND-LSDHHAIUSA-N 341.473 1.553 0 40 EDAB Cc1cc(=NC(=O)N2CCn3c(CC4CC4)nnc3C2)c(C)c[nH]1 585140406 DFCNWVLFMUELHH-UHFFFAOYSA-N 326.404 1.712 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2ccccc2C)Cc2ccnn21 585111827 HKEICRDNAAGKCU-QGZVFWFLSA-N 348.472 1.688 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1ccncc1 585108772 BLBZNVZIRGLBFX-YPLQCARHSA-N 344.411 1.249 0 40 EDAB COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(C)C)C[C@H]12 585109580 BVYXACYPMOGKPJ-JENIJYKNSA-N 332.444 1.944 0 40 EDAB O=C(Cn1ccnc1)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585286258 VYPAWBFQWHEOTF-SRCQZFHVSA-N 333.363 1.357 0 40 EDAB CCCCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCOCC2)C1 585095347 PQEHAPIPPJYLML-HNNXBMFYSA-N 334.420 1.206 0 40 EDAB O=C1CCCN1CCC(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 585280429 IUDNTVIINDPWIU-SJORKVTESA-N 330.428 1.451 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2cscn2)C1 585178725 CTVSFYDPBFCIEB-KRWDZBQOSA-N 349.431 1.991 0 40 EDAB Cc1cccc(OC[C@H](O)CN2CCO[C@H](Cn3cc(C)cn3)C2)c1 69445560 YWMPLOAAFWTFDC-MJGOQNOKSA-N 345.443 1.641 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@@H](n3ccnc3)C2)CN1CC(F)(F)F 69700183 FJNHSTGOCAQHOG-VXGBXAGGSA-N 344.337 1.457 0 40 EDAB Cc1nnc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)s1 70641471 WEGCFDJSXVGRDB-LBPRGKRZSA-N 332.385 1.213 0 40 EDAB CC(C)COc1ncccc1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269556 ANKRRYBGGRAUOB-SJORKVTESA-N 347.459 1.788 0 40 EDAB CCc1cccc(C(=O)OC)c1NC(=O)CCN1C(=O)CCC1=O 72288141 YEHOIXUFGZVHIF-UHFFFAOYSA-N 332.356 1.513 0 40 EDAB CCOc1ccccc1N1CCN(c2ccc(C(N)=O)cn2)CC1 44892155 MTIVUCLDIRUTMZ-UHFFFAOYSA-N 326.400 1.906 0 40 EDAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)Cn2cnnn2)C1 48885767 FDUQBFOZSPKWFC-GASCZTMLSA-N 342.447 1.467 0 40 EDAB CCc1cc(N(C)Cc2nnc3n2CCCCC3)n2ncnc2n1 52165649 VZXSINYSPLHVFR-UHFFFAOYSA-N 326.408 1.641 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)CCCNC(=O)c1ccsc1 54814465 ZHQSEDLFBJYTIO-CYBMUJFWSA-N 337.445 1.337 0 40 EDAB CN(CC(=O)N(Cc1ccccn1)C1CC1)c1ncnc2[nH]cnc12 56178059 JQNZQOWPOACANG-UHFFFAOYSA-N 337.387 1.375 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 58406222 QLTBFGDJLWLWLK-INIZCTEOSA-N 338.473 1.870 0 40 EDAB COC[C@H](NS(=O)(=O)Cc1ccccc1C(F)(F)F)C(=O)O 547884359 FGWNKJXPSUIKDY-JTQLQIEISA-N 341.307 1.224 0 40 EDAB Cc1cnc(C(=O)N2[C@H]3CC[C@H]2CC(O)(c2cccnc2F)C3)cn1 105716288 SKZJHYADPMNGGC-STQMWFEESA-N 342.374 1.974 0 40 EDAB COC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3ccc(C)c(C)c3)C2=O)C1 5068465 KIPKSHMFCILGTA-INIZCTEOSA-N 344.327 1.222 0 40 EDAB C=COCCNC(=O)Cn1nc(C)n2c(cc3ccsc32)c1=O 12114251 PFBXPUGAZDKYJL-UHFFFAOYSA-N 332.385 1.295 0 40 EDAB CCOCCCNC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O 13711454 FFVFDPRCUXWPEY-HNNXBMFYSA-N 342.461 1.774 0 40 EDAB CCN1C(=O)[C@@]2(N=C(N)NC(Nc3ccccc3)=N2)c2ccccc21 19332704 OPSSHXQCYBULMC-GOSISDBHSA-N 334.383 1.592 0 40 EDAB O=S(=O)(CCc1ccccc1)N[C@@H]1CCN(c2ccccn2)C1 159311612 ZOZOUVCRCVNGDQ-MRXNPFEDSA-N 331.441 1.822 0 40 EDAB CNC(=S)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 4867872 QTXVWEVXYRIAKW-UHFFFAOYSA-N 325.415 1.674 0 40 EDAB O=C([C@H]1CN(c2nc3cnccc3s2)CCO1)N1CCCCC1 1888842927 IWYVNOAQXARURY-CYBMUJFWSA-N 332.429 1.909 0 40 EDAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCN(C(=O)CO)C2)n1 2037836187 RQRDZHUBNRLOTR-NSHDSACASA-N 333.417 1.602 0 40 EDAB CC(C)CNC(=O)c1ncn2c1CN(C(=O)c1cc[nH]n1)CCC2 1565547515 SIIRCUODIIMRTE-UHFFFAOYSA-N 330.392 1.038 0 40 EDAB O=C(Cn1c(-c2nnco2)cc2ccccc21)NC[C@H]1CCCO1 13961925 NBUZBLXQJLOJOI-CYBMUJFWSA-N 326.356 1.987 0 40 EDAB Cc1cncc(C(=O)N[C@H]2CCc3onc(C(=O)NC(C)C)c3C2)c1 2055738680 JGRRACLNOVZVOQ-ZDUSSCGKSA-N 342.399 1.804 0 40 EDAB CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)c2cccc(OC)c2)C1 2055771760 VNBUEVNTBZORIB-GOSISDBHSA-N 342.399 1.269 0 40 EDAB CCOC(=O)N1CCN(C[C@H](O)COc2cccc(C)c2C)CC1 22573206 RAXMDYFWJCHBOD-INIZCTEOSA-N 336.432 1.817 0 40 EDAB COC[C@](C)(CNS(=O)(=O)c1ccc2c(c1)CCCC2)OC 575613267 QUWDPGKDTMZEPJ-INIZCTEOSA-N 327.446 1.895 0 40 EDAB Cc1ccc(OC[C@H]2CCN(S(=O)(=O)c3cccnc3)C2)nn1 2298066440 AYNWVSGKBSCJFU-ZDUSSCGKSA-N 334.401 1.270 0 40 EDAB COc1ccccc1-n1nnc(-c2nc(-c3ccncc3)no2)c1N 4316758 QZNRTLPNGNFNMA-UHFFFAOYSA-N 335.327 1.970 0 40 EDAB O=C(COc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 6128768 BTBJIWWQIQEOHF-UHFFFAOYSA-N 329.308 1.839 0 40 EDAB O=C(CCCNC(=O)c1cccnc1OCC(F)(F)F)NC1CC1 40540976 FYIUBALQAJNIMD-UHFFFAOYSA-N 345.321 1.811 0 40 EDAB CC(C)N1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)nc2)CC1=O 40508685 AWJHVJGGLXNZEV-ZDUSSCGKSA-N 332.404 1.114 0 40 EDAB CCCN1CCc2c(sc3c2c(NCCCO)nc2nnnn23)C1 20533305 ZYZPABFYOIVXRK-UHFFFAOYSA-N 347.448 1.296 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2cncn2-c2ccccc2)C1 32268456 URJYQDIEZMDGCW-QGZVFWFLSA-N 342.443 1.959 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1 20949733 OVEMHZBFFVHDNK-HNNXBMFYSA-N 342.399 1.560 0 40 EDAB CC[C@@H](C)Oc1ccc([C@H]2C=C(C(=O)O)Nc3nnnn32)cc1OC 101675123 DLLZULJGTMKTFL-BXKDBHETSA-N 345.359 1.842 0 40 EDAB C[C@H]1Oc2ccc(NC(=O)CCN3CCSC3=O)cc2NC1=O 32788892 QQPXLMOOWUUQCT-SECBINFHSA-N 335.385 1.903 0 40 EDAB C[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)N1CCCC[C@H]1C 32731107 GEWDCEMDXZXOIJ-KGLIPLIRSA-N 332.448 1.848 0 40 EDAB Cc1ncc(CN(C)CC(=O)N2CCN(c3cnccn3)CC2)s1 53146298 XIPIAOJKPXPWCV-UHFFFAOYSA-N 346.460 1.022 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1nc(C2CC2)cs1 23135176 IRVCWZRENVBEJU-UHFFFAOYSA-N 342.380 1.662 0 40 EDAB C[C@H]1CCCN([C@H](C)CNC(=O)CNC(=O)c2ccc(F)cc2)C1 105581399 FWZGZLZAIYVJRE-UONOGXRCSA-N 335.423 1.792 0 40 EDAB CC(=O)N1CCC(NC(=O)NC[C@@H](c2cccs2)N(C)C)CC1 47832139 WHJUYDLUYIHGPL-AWEZNQCLSA-N 338.477 1.661 0 40 EDAB CC(C)(C)S(=O)(=O)CCNC(=O)CNC(=O)CC1CCCCC1 78679472 YVCAIMMNNZRVQG-UHFFFAOYSA-N 346.493 1.403 0 40 EDAB O=C(CCc1nc[nH]n1)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 78737441 JQIFMKSBVSTZNT-GFCCVEGCSA-N 349.385 1.796 0 40 EDAB CN(C(=O)c1ccnc(Cl)c1)[C@@H]1CCN(CC(F)(F)F)C1=O 79002101 ILKXAIJGVRXPGD-SECBINFHSA-N 335.713 1.970 0 40 EDAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(N)=O 3010516 IJAOJHNCSROCQF-NWDGAFQWSA-N 327.425 1.402 0 40 EDAB COc1ccc(CCNC(=O)C(=O)NCc2cccnc2)cc1OC 3059318 UETXYGFZPJPUHU-UHFFFAOYSA-N 343.383 1.074 0 40 EDAB biogenic CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@H](C)Cn2cccn2)C1 106638881 GZPUPMMSVMGIEK-JYJNAYRXSA-N 334.464 1.920 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1OC 3497810 ONALXKPBBUCFGI-QMMMGPOBSA-N 328.752 1.740 0 40 EDAB CC(=O)N[C@H](CC(=O)N[C@@H]1CCc2nccn2C1)c1ccccc1 97197353 HSSZGIKKGDUZLX-HZPDHXFCSA-N 326.400 1.582 0 40 EDAB Cc1nccc(N2CCN(C(=O)NCc3ncc(C)s3)CC2)n1 97136821 SSELBLDWBZSPPM-UHFFFAOYSA-N 332.433 1.582 0 40 EDAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCC(=O)OCc1ccccc1)CS2 25368269 PQVDWVXSXIXUNW-SUMWQHHRSA-N 348.424 1.300 0 40 EDAB O=C(CN1CSCC1=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 55943677 HUKLQCYMRLHZNC-XJKSGUPXSA-N 338.404 1.695 0 40 EDAB CN(C)[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1 25420345 XKQGANJOSPZWIA-QGZVFWFLSA-N 340.427 1.888 0 40 EDAB NC(=O)CN(C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCC1 56015163 UVZCXXCPAFIKRJ-OAHLLOKOSA-N 347.390 1.435 0 40 EDAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1nccnc1N 26127030 OZVMAZMDUBTMIZ-UHFFFAOYSA-N 325.372 1.223 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1F)N1CCN(c2ncccn2)CC1 57524790 TZNGLUVXMORHGX-ZDUSSCGKSA-N 329.379 1.765 0 40 EDAB O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 108483223 XFJMYXRVCOPXNS-KFWWJZLASA-N 329.400 1.817 0 40 EDAB Cn1nccc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 97109050 WFWUGSZYJRCPCV-KBMXLJTQSA-N 340.431 1.664 0 40 EDAB Cc1cc(C)nc(NNS(=O)(=O)c2cc(C(=O)O)ccc2C)n1 10032690 OWXXROYUZXDCGY-UHFFFAOYSA-N 336.373 1.405 0 40 EDAB CCN(CC)C(=O)CNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 58143955 CGWPZZWOJRTVND-HNNXBMFYSA-N 347.415 1.402 0 40 EDAB O=C(NCCCN1CCCCCC1=O)c1ccccc1-n1cnnn1 44896751 DBJKYOOZSPORQY-UHFFFAOYSA-N 342.403 1.185 0 40 EDAB CN(C)S(=O)(=O)N1[C@H](COc2ccc(F)cc2)[C@@H]2CC[C@@H]1C2 100113154 LECYYZJLDBNUNE-UXIGCNINSA-N 328.409 1.864 0 40 EDAB Cc1cc(CN(C)Cc2ccc(S(=O)(=O)N3CCCC3)o2)no1 44948835 MUSGRLAQZYPAHI-UHFFFAOYSA-N 339.417 1.993 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CC(C)(C)C)CC1 10663096 GVDMFHGMVSXFSV-UHFFFAOYSA-N 343.449 1.561 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101404343 BSKHPQYOXPNHRS-TZMCWYRMSA-N 338.363 1.837 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(COC)oc2C)C[C@H]1N1CCOCC1 84736048 KVMBPGWZCHVBES-RHSMWYFYSA-N 336.432 1.917 0 40 EDAB O=C(CN1CCS(=O)(=O)CC1)OCc1c(F)cccc1Cl 58916796 AMEQCKNKNLFCLD-UHFFFAOYSA-N 335.784 1.253 0 40 EDAB CC(C)(C)NC(=O)c1ccccc1NC(=O)N1CCOC[C@H]1CCO 95460948 UNXJDYLSGJDHDY-CYBMUJFWSA-N 349.431 1.830 0 40 EDAB Cc1ccc(-c2cnc(CCC(=O)N3CCNC(=O)C3)o2)cc1C 28630273 PYPBASDUNSFVBF-UHFFFAOYSA-N 327.384 1.849 0 40 EDAB COc1cc(CC(=O)N2CCN(c3cnccn3)CC2)ccc1C 11546220 YDPQYYUXZYODQF-UHFFFAOYSA-N 326.400 1.685 0 40 EDAB C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)c1ccccc1Cl 45856994 LJWMZMBAACFWJX-LLVKDONJSA-N 330.837 1.248 0 40 EDAB Cc1ccccc1-c1nnn(CC(=O)NC(=O)NC2CCCC2)n1 2646800 GVSUJKOLDAXBOR-UHFFFAOYSA-N 328.376 1.417 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)NCCc1cnn(C)c1 46988009 QBGJGZUWSVKPRL-HNNXBMFYSA-N 344.415 1.834 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](Cc1ccccc1)N(C)C 47032522 DOCOJUKGHDYKQW-HNNXBMFYSA-N 337.445 1.743 0 40 EDAB Cc1ccc(CN2C[C@H](C(=O)NCCCn3cncn3)CC2=O)cc1 48288503 RCIACBFINHBJPV-MRXNPFEDSA-N 341.415 1.142 0 40 EDAB CC(=O)N[C@H](C(=O)Nc1cnc2c(c1)c(C)nn2C)C1CCCC1 48237611 DLSYAHDMNLXHNU-HNNXBMFYSA-N 329.404 1.910 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 26098071 NSGCTIUJWXEGAQ-QPJJXVBHSA-N 326.393 1.379 0 40 EDAB CC(=O)N1c2ccc(S(=O)(=O)NC[C@H]3CCOC3)cc2C[C@H]1C 48363456 IUBUVYGOJLOBIK-DGCLKSJQSA-N 338.429 1.299 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1cc(=O)n3ccsc3n1)C2=O 3464715 NFFHQVYMTDFETG-QFYYESIMSA-N 346.412 1.757 0 40 EDAB Cc1cc(C(=O)CN2CCNC(=O)C2)c(C)n1Cc1ccccc1 38442981 ADHIKVKNVYRWRJ-UHFFFAOYSA-N 325.412 1.768 0 40 EDAB CCNC(=O)CN1CCO[C@@H](c2noc(-c3ccc(OC)cc3)n2)C1 96000292 LZJXGSMOPRRZCD-CQSZACIVSA-N 346.387 1.255 0 40 EDAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn32)cc1 13727367 DEFZXOXHOUWVJD-GFCCVEGCSA-N 343.343 1.285 0 40 EDAB O=C(CN1CCN(C(=O)c2cscn2)CC1)NCc1ccccc1 65497607 DXOVACKXXJSJBF-UHFFFAOYSA-N 344.440 1.217 0 40 EDAB COc1ccc(CNC(=O)COCC(=O)Nc2ccccc2)cc1 9355374 GDOIARIVCSCANJ-UHFFFAOYSA-N 328.368 1.967 0 40 EDAB CCC[C@H](C)NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O 14020854 VZBHABAXIOYBBO-NSHDSACASA-N 333.388 1.719 0 40 EDAB Cc1nc2n(c1C)CCN([C@@H](C)C(=O)Nc1sccc1C(N)=O)C2 65590221 GCSLAYCINRZMRO-NSHDSACASA-N 347.444 1.503 0 40 EDAB O=C1NC2(CCS(=O)(=O)CC2)C(=O)N1Cc1cccc(Cl)c1 65521048 CJNCKHPMXGXWOU-UHFFFAOYSA-N 342.804 1.339 0 40 EDAB COCCCNC(=O)CN(C)C(=O)c1ccc(-n2cccc2)cc1O 65596010 VZMSGMWXSCOFCU-UHFFFAOYSA-N 345.399 1.408 0 40 EDAB Cc1cc(=O)c(C(=O)NCc2cccc(CO)c2)nn1-c1ccccc1 65565189 XMYPCRDCGJIIBX-UHFFFAOYSA-N 349.390 1.963 0 40 EDAB CC(C)c1nnc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 14237001 OEDYFKHOTIXESS-PHIMTYICSA-N 348.428 1.941 0 40 EDAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 6623218 QVQIACQCNNIZHH-UHFFFAOYSA-N 348.380 1.748 0 40 EDAB C[C@@H](NC(N)=O)C(=O)Nc1cccc(OCCN2CCCCC2)c1 95393092 BOFCSRRXAMYURH-CYBMUJFWSA-N 334.420 1.547 0 40 EDAB Cc1nn(CC(=O)N2CCCCCC2)c(C)c1S(=O)(=O)N(C)C 6607048 CMRGNJZWVMMNRT-UHFFFAOYSA-N 342.465 1.153 0 40 EDAB CCOc1ccc(N(CC(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 4851528 JZDAYFWGOMYXPV-LBPRGKRZSA-N 328.434 1.766 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1cc2ccccc2[nH]1 6839709 ZZTJXVLPZULKNN-UHFFFAOYSA-N 345.399 1.698 0 40 EDAB CC(=O)N1CCC(NC(=O)N2CCO[C@H](c3ccccc3F)C2)CC1 67357918 HKMQKXCJJBAFJG-KRWDZBQOSA-N 349.406 1.920 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCc3cccnc3)c(C)c12 71805616 HMXFPGOHUCNUBX-UHFFFAOYSA-N 339.399 1.522 0 40 EDAB C[C@H](CCN(C)C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 71924121 QFOQKUIFRHHBHO-GFCCVEGCSA-N 328.434 1.466 0 40 EDAB NC(=O)c1ccsc1NC(=O)COc1ccc2ccc(=O)oc2c1 16657165 PORKTFSKSLGXIK-UHFFFAOYSA-N 344.348 1.971 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 69039128 ZLRYGRVQUZGBTQ-OAHLLOKOSA-N 348.428 1.114 0 40 EDAB C[C@@H]1Sc2ccc(C(=O)NCC(=O)NC(C)(C)C)cc2NC1=O 9689778 FFIGQIDGCSTFSU-VIFPVBQESA-N 335.429 1.764 0 40 EDAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H](C(N)=O)c1ccccc1 69394431 PKGAUUBJDODXMH-CXAGYDPISA-N 345.443 1.804 0 40 EDAB CCc1nc(CCNS(=O)(=O)c2c(C)nn(C)c2C)sc1C 69352197 SCSUOZZCIFMHQQ-UHFFFAOYSA-N 342.490 1.885 0 40 EDAB COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1c(C)nn(C)c1Cl 69414855 JLFCBUAEEYYUPI-VIFPVBQESA-N 337.829 1.248 0 40 EDAB O=C(CCn1nc2ccccn2c1=O)NCCc1c(F)cccc1F 69590375 IPCVQLIQMCFCOR-UHFFFAOYSA-N 346.337 1.523 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)[C@H](C)Cn3cccn3)CC2)n1 69518184 TVUKBRZCDJYZBE-CQSZACIVSA-N 344.419 1.057 0 40 EDAB O=C(CCCNC(=O)c1ccco1)N[C@@H]1CCCCC[C@@H]1C(=O)O 95409830 JWKAROVSTBTZRM-QWHCGFSZSA-N 336.388 1.939 0 40 EDAB C[C@H](OC(=O)c1ccc(CSc2ncn[nH]2)cc1)C(=O)NC1CC1 69707225 JYTQCULHVWMYTB-JTQLQIEISA-N 346.412 1.921 0 40 EDAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cccn3C)C2=O)cc1 9870035 ISJBUQYHZDNVQL-SFHVURJKSA-N 325.368 1.983 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)C(C)(C)c2ccc(C)cc2)CC1 69896863 XPLRVWNSXYQKAY-UHFFFAOYSA-N 338.473 1.813 0 40 EDAB C[C@H](O)CN1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 69893777 RVHOFGONTCFLTN-JSGCOSHPSA-N 338.835 1.416 0 40 EDAB CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)CCOCc2ccccc2)O1 95460079 YZHVRIVZQVYCLI-JKSUJKDBSA-N 334.416 1.345 0 40 EDAB CN(Cc1ccco1)C(=O)CN(C)[C@@H]1CCCN(c2cccnn2)C1 69981452 IGMJHDSBUOOLQW-OAHLLOKOSA-N 343.431 1.629 0 40 EDAB Cc1ccc(-c2noc(CN3CCO[C@H](CN(C)C)C3)n2)cc1F 69951357 LMEDWHKZPPMTBJ-CQSZACIVSA-N 334.395 1.947 0 40 EDAB C[C@@H](SCc1nc(N)nc(N)n1)C(=O)NCc1ccc(F)cc1 8704362 FEARRARXFZNXRC-MRVPVSSYSA-N 336.396 1.113 0 40 EDAB O=S1(=O)N=C(NC[C@@H](O)c2ccc(F)c(F)c2)c2ccccc21 72278052 BBCNMZGERIAUSX-CYBMUJFWSA-N 338.335 1.737 0 40 EDAB NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1 72296295 QQIJDQNYMPAMSF-LLVKDONJSA-N 337.228 1.926 0 40 EDAB NC(=O)c1ccc(CNc2cc(N3CCC[C@H]3CO)ncn2)cc1 72276002 DWOMPNGXKLRJJX-AWEZNQCLSA-N 327.388 1.149 0 40 EDAB CCO[C@H](C)c1noc(CCC(=O)N[C@@H]2CCc3nc(C)cn3C2)n1 72298545 PQFOONBZMMICAK-CHWSQXEVSA-N 347.419 1.736 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1cc(Cl)c(Cl)n1C)CC2 97198076 CVZANWSCWOHKHH-QMMMGPOBSA-N 328.203 1.977 0 40 EDAB Cn1cc(N2CCC[C@H](NS(=O)(=O)c3cccs3)C2)cn1 98013628 QUBFUITYAMTYQP-NSHDSACASA-N 326.447 1.429 0 40 EDAB CC(=O)NCCCS(=O)(=O)c1nccn1-c1cccc(Cl)c1 95977406 BFNKJTTXGXXFCQ-UHFFFAOYSA-N 341.820 1.826 0 40 EDAB Cc1nc2n(c1CN1CCN(C(=O)[C@H]3OCC[C@H]3C)CC1)CCCC2 95988471 DHQBHTFEEOTISH-KDOFPFPSSA-N 346.475 1.597 0 40 EDAB COc1ccc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)cn1 89466120 VVIRGQPOMYVEKS-HNNXBMFYSA-N 341.367 1.456 0 40 EDAB Cc1nc(CN2CCC(CNC(=O)c3cnn(C)c3)CC2)oc1C 89558326 VRRXMQFFWYHWRZ-UHFFFAOYSA-N 331.420 1.667 0 40 EDAB CC(C)(C)OC(=O)N1CCC(CNCc2nnc3n2CCC3)CC1 89661954 JZFWWHNGFBFAEY-UHFFFAOYSA-N 335.452 1.961 0 40 EDAB COc1c(C(=O)N2CCN(c3cccc(C)n3)C[C@@H]2C)c(C)nn1C 89688939 VDWKQIBPLNQUDW-ZDUSSCGKSA-N 343.431 1.791 0 40 EDAB Cn1c(CNc2ccn(CCS(C)(=O)=O)n2)nc2ccccc21 89749738 QPMXYRLJHRPTEQ-UHFFFAOYSA-N 333.417 1.427 0 40 EDAB CCc1cccc(OC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)c1 24094596 BAWAKPPVYPVHPY-AWEZNQCLSA-N 332.400 1.853 0 40 EDAB CN1C[C@H](C(=O)N2CCC[C@H](c3cc(C(F)(F)F)[nH]n3)C2)CC1=O 76059762 YIJJEHKNASZCON-VHSXEESVSA-N 344.337 1.613 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)no1 76043567 JSRFXBATWOEKLY-AWEZNQCLSA-N 328.372 1.922 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@H](C)COc1ccc(F)cc1 69931512 YDKMSBCSIAPPRY-NEPJUHHUSA-N 346.424 1.668 0 40 EDAB COCC(=O)[C@H](C(C)=O)C(c1ccncc1)[C@H](C(C)=O)C(=O)COC 31719732 PIHFUTAWJFQTEM-JWTNVVGKSA-N 349.383 1.007 0 40 EDAB COC(=O)[C@H](O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 3851689 KLQHTVJOCDVCHB-JKSUJKDBSA-N 349.408 1.549 0 40 EDAB biogenic O=C(N1C[C@@H]2C[C@H]1CN2Cc1nc(O)n[nH]1)C1(C2CCCCC2)CC1 1032755648 GNQPBUIKKRDMDN-KBPBESRZSA-N 345.447 1.656 0 40 EDAB CSCC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1nc2ccccc2[nH]1 32301698 CGFAJUVEMJTJSF-BXUZGUMPSA-N 346.456 1.952 0 40 EDAB COc1ccc2[nH]cc(CCNC(=O)NCc3cnn(C)c3)c2c1 79098498 OKHQWLMISUNMFX-UHFFFAOYSA-N 327.388 1.952 0 40 EDAB Cc1n[nH]cc1C(=O)N1CCC(c2cc(C3CCNCC3)[nH]n2)CC1 567047622 NUULTFKFXAQUGQ-UHFFFAOYSA-N 342.447 1.928 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NC2CC2)ccc1NC[C@@H]1CCCO1 217573153 QDUANYSJYHMGET-NSHDSACASA-N 340.401 1.416 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2cc(C)ccc2OC)C1 78602844 WIGSJKTYWBMOQC-AWEZNQCLSA-N 349.431 1.169 0 40 EDAB COc1ccc(-c2cc(CNC(=O)c3ccc[nH]c3=O)no2)cc1 38753658 JJQLNQSGXNOFHN-UHFFFAOYSA-N 325.324 1.969 0 40 EDAB Cc1cc(CCC(=O)NC2CCOCC2)nc(C2CCN(C)CC2)n1 72366864 SNHBMQVSYBEEPX-UHFFFAOYSA-N 346.475 1.822 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 72354677 LULGDGJNVZRHHH-ZDUSSCGKSA-N 336.392 1.961 0 40 EDAB CN(C)c1cnnc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1 224310046 DAGHHPHOOTUZNF-UHFFFAOYSA-N 343.406 1.573 0 40 EDAB COc1ccccc1N(CC(=O)N(C)C1CCCC1)S(C)(=O)=O 44880203 PGSAHQVREIXAHS-UHFFFAOYSA-N 340.445 1.862 0 40 EDAB COc1ccc(/C=C/c2nn(CC(=O)O)c(=O)o2)c(Cl)c1OC 40448111 RQBPLLXZMVDMPK-GQCTYLIASA-N 340.719 1.762 0 40 EDAB CC(C)Oc1ccc(S(=O)(=O)N[C@]2(CC(=O)O)CCOC2)cc1 572114251 KOUJPINNTZQQQC-HNNXBMFYSA-N 343.401 1.386 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 46797460 ICEWEHDEFIIOOX-NSHDSACASA-N 337.850 1.456 0 40 EDAB Cc1cc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)cc(C)c1O 575603118 BJGDCOPQUFUGBI-QGZVFWFLSA-N 331.460 1.795 0 40 EDAB COc1ccccc1C1=NO[C@@](C)(C(=O)NCCN2CCOCC2)C1 222283978 OTSOFSBTWXTYIX-GOSISDBHSA-N 347.415 1.027 0 40 EDAB O=C(COc1ccccc1)NCC1CCN(c2ncccn2)CC1 43976887 FXCPHLAAJFAEIG-UHFFFAOYSA-N 326.400 1.888 0 40 EDAB COc1cc(N2CCOCC2)nc(NC(=S)NC2CCCC2)n1 226004955 GCYSORKLRKLREF-UHFFFAOYSA-N 337.449 1.551 0 40 EDAB Cc1cccc(COC[C@]23COC[C@H]2CN(Cc2cnn(C)c2)C3)n1 96108927 TTZQYNVHJMZVBY-MJGOQNOKSA-N 342.443 1.789 0 40 EDAB CN1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3cccs3)CC[C@@H]21 96185624 XJSRAUADKBTEGS-RDBSUJKOSA-N 331.445 1.575 0 40 EDAB CCn1nc(C)c(S(=O)(=O)N[C@H]2COc3ccccc3C2)c1C 96427716 METDMOVRVXGMPU-CQSZACIVSA-N 335.429 1.802 0 40 EDAB Cc1cccc(S(=O)(=O)N2CC[C@H]3CO[C@H](CN(C)C)[C@H]3C2)c1 96185400 VXEMNKWVMXLNCX-BHYGNILZSA-N 338.473 1.582 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2[C@H]1CCN2C(=O)c1cnn(C)c1 96184539 BLQGKTTUUBBKIV-CVEARBPZSA-N 329.404 1.514 0 40 EDAB CN(CCN1CCOCC1)[C@H](CO)c1cccc(Br)c1 96487673 CKMGFUPQYXERKZ-OAHLLOKOSA-N 343.265 1.747 0 40 EDAB Cc1cccc(C(=O)N2CCn3nnc(COCC4CC4)c3C2)n1 96084266 GYQFGCPYAGAEKR-UHFFFAOYSA-N 327.388 1.564 0 40 EDAB Cc1cccc(-c2nnc(SCC(=O)N3CCN(C)CC3)n2C)c1 97528505 YXLQEVXSJCTIGB-UHFFFAOYSA-N 345.472 1.657 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC[C@H](n2ccnn2)C1 583496065 ZJIFOOBIYHYCNO-HEHGZKQESA-N 328.372 1.670 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1 96181096 HOBRXRRRTPMWKR-LRDDRELGSA-N 346.456 1.934 0 40 EDAB CC(C)N1CCc2ncn(C(C)C)c2[C@@H]1C(=O)NCCN1CCCC1 96264997 UTQQVJMXZSJBAL-GOSISDBHSA-N 347.507 1.984 0 40 EDAB CC(C)N1CCC2(CC1)O[C@H](C(=O)NCC1CC1)Cn1ccnc12 96243608 KSDNZKBXHSRECX-HNNXBMFYSA-N 332.448 1.508 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)COCc1nc(-c2ccncc2)no1 96182010 JURXOANJKBQCRE-UHFFFAOYSA-N 342.359 1.637 0 40 EDAB O=C1[C@H](NC(=O)C(F)(F)C2(O)CCC2)CCN1C1CCCCC1 95450106 AANATDSCKGBNOZ-GFCCVEGCSA-N 330.375 1.587 0 40 EDAB O=C(CN1C(=O)N/C(=C/c2ccc(Cl)cc2)C1=O)N1CCOCC1 98004179 YOSMZLMEHDJZQU-UKTHLTGXSA-N 349.774 1.092 0 40 EDAB Cc1ccnc(NC[C@H]2CCN(CCN3C(=O)NC(C)(C)C3=O)C2)c1 97200774 RHUATQNDHRSJJS-CQSZACIVSA-N 345.447 1.454 0 40 EDAB O=C(N[C@@H]1CC[C@H](N2CCN3C(=O)CC[C@@H]3C2)C1)c1cccc(F)n1 585087484 UZDLURPUEJJSNX-HZSPNIEDSA-N 346.406 1.178 0 40 EDAB CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(CO)C(=O)O 242548267 LGOUXUNGDMLODC-FOGDFJRCSA-N 349.202 1.023 0 40 EDAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(C)(=O)=O 242538682 JBTQCEBIQQKOKJ-WOSRLPQWSA-N 340.445 1.419 0 40 EDAB Cc1ccnc([C@@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 257339721 ZCXRMOVNVQFHSI-CYBMUJFWSA-N 338.367 1.709 0 40 EDAB CCc1nccn1-c1ccc(C(=O)N2CCC(C)(C(N)=O)CC2)cn1 257305575 SQPHRVQYENSLNF-UHFFFAOYSA-N 341.415 1.557 0 40 EDAB Cc1nccc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257207865 BJRJMTGDYYMTLW-OAHLLOKOSA-N 327.388 1.601 0 40 EDAB CNC(=O)c1ccc(CNC(=O)C(C)(C)S(=O)(=O)C2CC2)cc1 252500901 TYROUXTWLNYZHI-UHFFFAOYSA-N 338.429 1.018 0 40 EDAB Cc1cc(C(=O)N2CC3(C2)OCC[C@H]3COCc2ccccn2)on1 253600683 WBWXRBREYSIXDI-AWEZNQCLSA-N 343.383 1.826 0 40 EDAB Cc1ccsc1C(=O)N(C)C[C@]1(O)CCCN(c2cnccn2)C1 257273004 NEWLOTWBWCPTFJ-QGZVFWFLSA-N 346.456 1.950 0 40 EDAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1cnccn1 257306502 SUMWDLZJZUVMHT-INIZCTEOSA-N 340.383 1.531 0 40 EDAB O=C(O)c1nn(-c2cccc(C(F)(F)F)c2)nc1N1CCOCC1 256046787 IBIYPSKBBOKBKG-UHFFFAOYSA-N 342.277 1.821 0 40 EDAB CCn1cc(CN2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)cn1 257208500 BMLBRWIUMFOSRK-CYBMUJFWSA-N 337.449 1.409 0 40 EDAB Cc1nc2ccc(C(=O)N3CCO[C@@H](c4nccnc4N)C3)cc2[nH]1 257259002 KWKCEBUGXHYCOD-CQSZACIVSA-N 338.371 1.457 0 40 EDAB Cc1ccc(NC(=O)NC(=O)CN2CCC[C@]2(C)C(=O)O)c(C)c1 530205466 HDQCOBMDPYTEHX-QGZVFWFLSA-N 333.388 1.891 0 40 EDAB CC(C)(C)OC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C[C@@H]1O 265540634 KPKXBGLKFPRIOJ-YJBOKZPZSA-N 336.432 1.509 0 40 EDAB CN(C[C@H]1CCOC1)c1ncccc1S(=O)(=O)NCC1CC1 1615046029 RYHBBBWFVNBMDF-CYBMUJFWSA-N 325.434 1.243 0 40 EDAB O=C(Cc1cccc(Br)c1)N1C[C@H](CO)C[C@H]1CO 1615604916 FXRBFHGGHVPPDG-YPMHNXCESA-N 328.206 1.193 0 40 EDAB COC(=O)c1ncoc1COCC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F 599964927 QVJYBHYEYOLGJB-YGRLFVJLSA-N 344.314 1.482 0 40 EDAB C[C@@H](CC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1)CN(C)C 1616038258 ZVNFQGBDGBCARN-IRXDYDNUSA-N 347.507 1.296 0 40 EDAB Cc1ncsc1CCS(=O)(=O)N1CCCC[C@H]1CC(=O)O 646035439 KRISVRCHSSVLFG-NSHDSACASA-N 332.447 1.653 0 40 EDAB CCOC(=O)c1cn(C)nc1NC(=O)N1CCc2cc(F)ccc21 585140607 HSUQGHPMPPUYLG-UHFFFAOYSA-N 332.335 2.331 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)c2ccc(C)nc2)Cc2cccn2C1 585099255 YYCPTSMPMMCGCQ-AWEZNQCLSA-N 326.400 1.600 0 40 EDAB CCCn1cc(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)cn1 585276492 MBISOQRUDNJSPV-SFHVURJKSA-N 329.400 1.949 0 40 EDAB COc1ccc(-c2cnc3n2CCN(C(=O)[C@H]2CCOC2)CC3)cc1 585111274 MGRHMQPENSTYLO-HNNXBMFYSA-N 341.411 1.980 0 40 EDAB CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 35307929 IIWYQWUWZILPOP-UHFFFAOYSA-N 329.322 1.808 0 40 EDAB CC[C@@H](C)NC(=O)NC(=O)CN1CCN(c2ccccc2F)CC1 35279526 HHSRXNVLBHGOIB-CYBMUJFWSA-N 336.411 1.572 0 40 EDAB O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCN(CCO)CC1 75604503 OLGFWYAIVUJWOU-CQSZACIVSA-N 330.350 1.859 0 40 EDAB C[C@@H](NC(=O)N1CCN(Cc2ccncc2)CC1)C(C)(C)CN(C)C 85425151 RGQNLPYLPWOWDM-MRXNPFEDSA-N 347.507 1.885 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2nc3n(C)c4ccccc4n3c2=O)C1 12117777 RKXKNSAPDGGCFG-BETUJISGSA-N 341.415 1.492 0 40 EDAB COCCSc1nnc(-c2cn(C)nc2OC)n1CCOC 12422661 OVNWQYLJYZOXJT-UHFFFAOYSA-N 327.410 1.072 0 40 EDAB C/C(=C\CNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C)CO 16958740 FZKFXYCZGZCKHA-LFYBBSHMSA-N 347.419 1.909 0 40 EDAB Cn1nccc1CN1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 19692515 KQQGUZSIJSTBOO-SFHVURJKSA-N 336.399 1.846 0 40 EDAB O=C(c1cn(Cc2cccc(F)c2)nn1)N1CC[C@@H](N2CC=CC2)C1 101632522 KWKDOBBHQUZIJE-MRXNPFEDSA-N 341.390 1.552 0 40 EDAB Cn1cccc1[C@H](CNC(=O)C(=O)NC1CCCC1)N1CCCC1 11898184 LKDZKASSTYXTMO-INIZCTEOSA-N 332.448 1.337 0 40 EDAB Cc1ccc(Cl)cc1NC(=O)C(=O)NCCN1CCOCC1 23006482 QKMRRDLAGLRWIV-UHFFFAOYSA-N 325.796 1.035 0 40 EDAB O=C([C@H]1CCOC1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575605338 DERVOGKLTSEPGP-UONOGXRCSA-N 327.384 1.597 0 40 EDAB CC(C)(C)c1csc(CCNS(=O)(=O)c2ncccn2)n1 583652006 WWCWDDBBRKUQQD-UHFFFAOYSA-N 326.447 1.752 0 40 EDAB CCc1nc(N2C[C@H]3CN(C(=O)C4CCCC4)C[C@@H]3C2)nc(O)c1F 1888850347 UAHJCHWAHRYWQF-CHWSQXEVSA-N 348.422 1.969 0 40 EDAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCC(N2C(=O)COC2=O)CC1 244933174 CEXMKHHBGGFFSZ-UHFFFAOYSA-N 344.327 1.253 0 40 EDAB O=C(c1ccc(Cl)s1)N1CCC(N2C(=O)COC2=O)CC1 245053635 PDYNRMNITZNQHG-UHFFFAOYSA-N 328.777 1.985 0 40 EDAB O=C(c1ccc2nsnc2c1)N1CCC(N2C(=O)COC2=O)CC1 252495034 OLJDDMHIZWKEGE-UHFFFAOYSA-N 346.368 1.275 0 40 EDAB COc1ccccc1OCC(=O)N1CCCN([C@H]2CCOC2)CC1 1565521903 DRCRPKCGCKTTBE-HNNXBMFYSA-N 334.416 1.397 0 40 EDAB COCC(=O)N1CCC[C@@]2(C[C@@H](N(C)Cc3ccccn3)CO2)C1 2055837448 BUOXKCMOCADKJZ-SJLPKXTDSA-N 333.432 1.310 0 40 EDAB Cn1cc(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3o2)cn1 218000292 CIJYCZJSJXUODH-HNNXBMFYSA-N 335.385 1.352 0 40 EDAB O=C(CCc1ccccc1)NCCn1c(O)nc2ncccc2c1=O 575414114 YYZTWXXIUNABSZ-UHFFFAOYSA-N 338.367 1.246 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)c2ccoc2)cc1 75171905 TTYQIYGOMBPXGN-ZDUSSCGKSA-N 325.342 1.078 0 40 EDAB COc1ccc(S(=O)(=O)NCC[C@H](O)c2ccoc2)c(C)c1 90613110 BRVIZDYOBRKHRJ-AWEZNQCLSA-N 325.386 1.999 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Sc1nncn1CC(F)(F)F 51974409 FPEDJZUKLUSOGV-ZCFIWIBFSA-N 325.316 1.167 0 40 EDAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)Nc1cccc(-n2cnnc2)c1 101688507 LPTYKPKBJWLYQY-IHRRRGAJSA-N 337.383 1.534 0 40 EDAB CC[C@H](C)Oc1ccc([C@H]2C=C(C(=O)O)Nc3nnnn32)cc1OC 101675126 DLLZULJGTMKTFL-JOYOIKCWSA-N 345.359 1.842 0 40 EDAB Cc1noc(CCNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)n1 101608818 FQQQRTFSVGBFBQ-UHFFFAOYSA-N 344.350 1.745 0 40 EDAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nnc(C2CC2)s1 21292799 XYIWLRWBEGGNKA-UHFFFAOYSA-N 346.368 1.513 0 40 EDAB O=c1n(CCN2CCN(c3ccccc3O)CC2)nc2ccccn12 32777980 JRFLBURZQUNMLY-UHFFFAOYSA-N 339.399 1.024 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H]1CCCO1 22620811 SEJOQURYNGSJGC-OAHLLOKOSA-N 327.384 1.967 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)c1occc1COc1ccccc1 23028129 VJAXOVHXWWWEPA-ZDUSSCGKSA-N 335.381 1.776 0 40 EDAB COc1cc(S(=O)(=O)NCCCN(C)C)c(OC)cc1Cl 12420606 OXSGVVWGKFFTSN-UHFFFAOYSA-N 336.841 1.587 0 40 EDAB CCC(CO)(CO)NC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1 12409363 JZNXNJUIXBRRFJ-UHFFFAOYSA-N 330.344 1.081 0 40 EDAB Cc1nn(CCO)c(C)c1CNC[C@@H]1CCCN1c1cccnn1 95373364 WLDGJMHPUCTEDY-HNNXBMFYSA-N 330.436 1.041 0 40 EDAB CCN1CCC(N(C)CCOc2cccc(S(C)(=O)=O)c2)CC1 77249452 FHUHPGUFPLAXDA-UHFFFAOYSA-N 340.489 1.885 0 40 EDAB CN(c1cccnn1)C1CCN(C[C@@H](O)COCc2ccco2)CC1 105902294 FSLFIMDIEKEDLM-MRXNPFEDSA-N 346.431 1.548 0 40 EDAB CCCc1noc(CCC(=O)N2CCO[C@@H](c3nc(CC)n[nH]3)C2)n1 78888866 GERGPPBSFRKCSY-LLVKDONJSA-N 348.407 1.235 0 40 EDAB NC(=O)C[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)C(=O)O 1292868 WFZQUTAQITZVCO-QMMMGPOBSA-N 328.250 1.389 0 40 EDAB CC(=O)c1cn(CC(=O)Nc2cc(C)ccc2C)c(=O)n(C)c1=O 79098612 NMOGUTBHGDHVGI-UHFFFAOYSA-N 329.356 1.005 0 40 EDAB O=C(NC[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1)c1ccccc1 79014911 BWLMSQCRLJIDLX-ZDUSSCGKSA-N 336.399 1.999 0 40 EDAB C[C@@H]1CN(CCNC(=O)N[C@H]2CCN(C3CCCC3)C2)C[C@@H](C)O1 106669526 LNUUACOLXLYYLI-OAGGEKHMSA-N 338.496 1.412 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCN(Cc2ccccc2)C[C@H]1C 106797907 QFZPDMKCHCEPLE-NUJGCVRESA-N 343.471 1.882 0 40 EDAB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1 4854733 FYEKAEVDROTGCY-BBRMVZONSA-N 343.383 1.324 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 6305631 KYQFQZCPRBIEEV-VMUDFCTBSA-N 331.299 1.202 0 40 EDAB CCOc1cccc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)c1O 6964952 MZDIBIRJOBBMGJ-YFHOEESVSA-N 336.369 1.022 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NCCCn2ccnc2)[C@H]1c1ccccc1 57355501 MJNSFDUNXMSBLA-FUHWJXTLSA-N 340.427 1.999 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CN(C)c2cnccn2)n1 95360757 JNYWZSAACKTOAM-OAHLLOKOSA-N 328.420 1.417 0 40 EDAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@H](C)CO)c2)n1 57588671 SXSLBUKMVUZKCO-LLVKDONJSA-N 332.360 1.551 0 40 EDAB C[C@@H]1CC(C)(C)[C@H](CNC(=O)c2ccon2)[C@H]1NC(=O)c1ccon1 108457348 BKLUWVDMCLJMQS-GYSYKLTISA-N 346.387 1.873 0 40 EDAB CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(C)(C)C)CC1 57735089 CBWAGPUJIBCFGF-UHFFFAOYSA-N 339.461 1.289 0 40 EDAB CCCn1nnnc1CN1C(=O)C(=O)N([C@H](C)c2ccccc2)C1=O 27296328 YPNXKUHGIPAVNW-LLVKDONJSA-N 342.359 1.135 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)CN1CCSC1=O)c1ccccc1F 44890303 MEBVNCNSRUQWKR-AWEZNQCLSA-N 348.403 1.934 0 40 EDAB CC[C@@H]1CN(C(=O)CSc2nnnn2-c2cccc(C)c2)CCO1 58208561 MDAIUXLOAPEYQE-CQSZACIVSA-N 347.444 1.700 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1 58246847 KXAQTYDEKLLISC-GFCCVEGCSA-N 345.399 1.208 0 40 EDAB C[C@H](OCCCNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 44945998 AYDODJSVURWZOS-DZGCQCFKSA-N 340.445 1.641 0 40 EDAB Cn1ccnc1[C@](O)(CCNC(=O)Nc1nccs1)C(F)(F)F 44968461 GGVCCWYZAJTYQS-LLVKDONJSA-N 349.338 1.838 0 40 EDAB Cc1cc(CNC(=O)CCc2c(C)nc3cc(O)nn3c2C)no1 58315230 PLFTWFJHVIDRKK-UHFFFAOYSA-N 329.360 1.597 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@H](C)n3cccn3)CC2)cc1F 45054118 NJHZWRGYFHBYTE-AWEZNQCLSA-N 346.406 1.936 0 40 EDAB Cc1cc(C)cc(C(=O)NCC(=O)NCC(=O)Nc2nccs2)c1 58417196 FJXXBGOWKLPOEH-UHFFFAOYSA-N 346.412 1.245 0 40 EDAB CCS(=O)(=O)CCNC(=O)COc1ccc(Cl)c(Cl)c1 58433617 QBASHRGWMPCQMB-UHFFFAOYSA-N 340.228 1.923 0 40 EDAB COc1ccc(NC(=O)N2CCN(c3ncccn3)CC2)c(OC)c1 9874719 MZWWNVJVURIITN-UHFFFAOYSA-N 343.387 1.848 0 40 EDAB CN(CCCCN(C)C(=O)C[C@H]1CCCO1)C(=O)C[C@@H]1CCCO1 89340331 HCNKXDCBJJMOKA-IYBDPMFKSA-N 340.464 1.822 0 40 EDAB Cc1cc(NC(=O)COC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)no1 10947632 TVWJIVXXWQEQQL-BMIGLBTASA-N 332.312 1.693 0 40 EDAB O[C@@H]1CCCN(C[C@@H](O)COc2cccc(Br)c2)C1 12567456 FKJRGJFTTGBHLP-CHWSQXEVSA-N 330.222 1.646 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1 29191762 YEHPTAFFLYJCDC-CYBMUJFWSA-N 348.428 1.026 0 40 EDAB CN(Cc1nnc(C2CC2)o1)[C@@H]1CCN(CCN2CCCC2=O)C1 95402396 OQMGTFFTASSSBS-CQSZACIVSA-N 333.436 1.076 0 40 EDAB C[S@@](=O)c1ncn(C[C@@H](O)COCc2ccccc2Cl)n1 95438983 HXOVXLULIHNZRT-FIKIJFGZSA-N 329.809 1.247 0 40 EDAB O=C(NCc1cc[nH]n1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 48231828 MLUOBZZCSITFSM-INIZCTEOSA-N 347.394 1.422 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)NCCN(C)c2ccccc2)c1 55414328 WRGODTPSUXKUFW-UHFFFAOYSA-N 348.424 1.888 0 40 EDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCN(c3ncccn3)CC1)CC2=O 100755786 RFEDFTJQXZCVPD-RTBURBONSA-N 342.443 1.911 0 40 EDAB CC(=O)N[C@H](C)C(=O)O[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 12803377 CBTLXUBNPUHXEZ-IAQYHMDHSA-N 345.355 1.731 0 40 EDAB COc1ccc(Cl)cc1C(=O)OCC(=O)NC[C@@H]1CCCO1 3435848 RLYMMTQJRAFHON-NSHDSACASA-N 327.764 1.801 0 40 EDAB Cc1ccc(CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 12995125 DKJNJLZHGHJWMX-UHFFFAOYSA-N 337.379 1.705 0 40 EDAB Cc1cc(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)on1 63317047 UNTYOVWSRPEHPY-HNNXBMFYSA-N 343.383 1.822 0 40 EDAB CN(C)CCCNC(=O)CCCNc1nc(Cl)nc2[nH]cnc12 9485915 ACVSSTAJIWVVDH-UHFFFAOYSA-N 339.831 1.266 0 40 EDAB CCC(CC)[C@@H](CNC(=O)NCc1nnc2n1CCC2)N1CCCC1 65400230 DTVWLFQESJPKMD-OAHLLOKOSA-N 348.495 1.924 0 40 EDAB O=C(Cc1ccccn1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 65500280 RJUKJYZMPSAWLL-UHFFFAOYSA-N 345.349 1.887 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2cccc3c2OCCO3)C1 65592144 BKYJALOUDFLGFR-CQSZACIVSA-N 334.416 1.544 0 40 EDAB Cc1cc(NC(=O)CN2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)on1 65576587 CFSFFEMVXQIKET-WCQYABFASA-N 328.372 1.789 0 40 EDAB Cc1nnc(S(=O)(=O)CCC(=O)NC2CC2)n1C1CCCCC1 65552723 HQOOEXNQLSRTJU-UHFFFAOYSA-N 340.449 1.534 0 40 EDAB CCN(Cn1nc2ccccn2c1=S)[C@@H]1CCS(=O)(=O)C1 14135292 NIAFFXZMJOBMQF-LLVKDONJSA-N 326.447 1.332 0 40 EDAB O=C(Nc1nnc2ccccn12)N1CCN(c2nccs2)CC1 65607286 SHNDOWNQHDQURP-UHFFFAOYSA-N 329.389 1.540 0 40 EDAB CN(CCN(C)S(=O)(=O)CC1CCOCC1)c1ccccc1 96427955 GBGMSRUWGGWVBW-UHFFFAOYSA-N 326.462 1.811 0 40 EDAB Cc1ccc(F)c(-n2nnnc2C[S@](=O)C[C@H]2CCCCO2)c1 96452481 SWOBRBHQAIFLKN-SPSFWMDKSA-N 338.408 1.928 0 40 EDAB NS(=O)(=O)c1cnc(NC[C@H]2CCN(CC(F)(F)F)C2)s1 96462055 ZLJXFZVQEHDPFA-SSDOTTSWSA-N 344.384 1.087 0 40 EDAB CC[C@@H](C)n1ncc(C(=O)N2CCN([C@H](C)C(N)=O)CC2)c1C1CC1 90050134 BODXIXAKEXMRIO-CHWSQXEVSA-N 347.463 1.363 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(Nc2ccc(F)cc2)CC1 67593063 HRPJLVFVAUNSOK-GFCCVEGCSA-N 340.420 1.663 0 40 EDAB O=C1[C@H]2CCCCN2C(=O)N1C[C@H](O)COc1ccc(Cl)cc1 71877711 NQFNEFRGPPLKJY-GXTWGEPZSA-N 338.791 1.896 0 40 EDAB COC(=O)c1ccc(C(=O)NCc2nc(-c3ccccn3)no2)nc1 71896542 SVJZJYUQQOBODD-UHFFFAOYSA-N 339.311 1.243 0 40 EDAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](C(N)=O)C1 71847307 WPIYZJSQGBKWDN-WDEREUQCSA-N 343.449 1.020 0 40 EDAB CCOC(=O)c1sc2ncnc(N3CCN(C(C)=O)CC3)c2c1C 7784746 GDWWACILHKXUQI-UHFFFAOYSA-N 348.428 1.845 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCCN2c2ncnc3ccsc23)CC1 71826803 JBFNHZGQKRWNMA-ZDUSSCGKSA-N 331.445 1.434 0 40 EDAB CCn1c(C)nnc1CN(C)[C@H]1CCN(C[C@H](O)c2ccccc2)C1 83836837 HETQMURCAPJQCL-ROUUACIJSA-N 343.475 1.846 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3ncoc3[C@H]3CCCO3)CCO2)n1 83829964 MUXWHZOQIIZNFB-MNOVXSKESA-N 347.375 1.420 0 40 EDAB CN(Cc1ccco1)C(=O)NCCS(=O)(=O)NCC1CCC1 69126160 KWNPAIWNHFYYPR-UHFFFAOYSA-N 329.422 1.141 0 40 EDAB CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)OC 75109917 WPZLFVSLQYZIAW-ZDUSSCGKSA-N 340.401 1.043 0 40 EDAB CC(C)(CNC(=O)c1ccc2c(c1)OCCCO2)N1CCOCC1 69537859 OZMOCGNTVFUMLR-UHFFFAOYSA-N 334.416 1.689 0 40 EDAB O=C1OCCN1CCN1CCCN(c2nc3ccccc3[nH]2)CC1 69529089 YTCIMCGHRWDUGN-UHFFFAOYSA-N 329.404 1.527 0 40 EDAB O=C(CCC(=O)c1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)C1 17636159 CZOSEWKAWMYDLQ-LBPRGKRZSA-N 329.805 1.606 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1nn(C)c(=O)c2ccccc12 69706528 GODMHAQOPIJDBL-CVEARBPZSA-N 340.427 1.632 0 40 EDAB CN1CC[C@H](NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)C1=O 73884433 PBWUELWUHJWARE-WCQYABFASA-N 329.322 1.227 0 40 EDAB CC[C@@H]1CCCCN1C(=O)CNCC1CCN(C[C@@H](C)O)CC1 69898293 VPWRXKBHJGFVLW-NVXWUHKLSA-N 325.497 1.460 0 40 EDAB CN1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 69872571 UHCHDXYCPRQQDU-UHFFFAOYSA-N 338.351 1.662 0 40 EDAB Cc1ccc(NC2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)nn1 69899089 KMDUAWWYLOUHTF-UHFFFAOYSA-N 326.404 1.714 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCCN(c2cccnn2)CC1 69845972 PWKYNKATJUAZSH-UHFFFAOYSA-N 340.383 1.600 0 40 EDAB COc1ccc(C(=O)CN2C(=O)CN(C)C(=O)c3ccccc32)cc1 8764503 LWCLUYSNAMADLX-UHFFFAOYSA-N 338.363 1.997 0 40 EDAB biogenic COc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)C)CC2)cc1 8945054 BKTFXHGLJIAJHE-UHFFFAOYSA-N 341.433 1.120 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CO 93020805 AFELIJHEIBSGAH-RISCZKNCSA-N 329.466 1.326 0 40 EDAB Cc1ccccc1-n1nccc1NC(=O)C(=O)NCc1nccn1C 97022445 RULLIEWXRVMECQ-UHFFFAOYSA-N 338.371 1.169 0 40 EDAB Cc1cc(NC(=O)[C@H](C)NC[C@H]2CCCN2c2cccnn2)no1 72276739 AUJVLYNIIYEZTC-QWHCGFSZSA-N 330.392 1.359 0 40 EDAB CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1c(C)cccc1C 72283873 FFAFSYLLZXNMQF-HNNXBMFYSA-N 345.399 1.696 0 40 EDAB CCc1cccc2c(CCNC(=O)NCCS(C)(=O)=O)c[nH]c12 72277846 BWYDLFFBBBINMH-UHFFFAOYSA-N 337.445 1.617 0 40 EDAB CCN1CCC[C@H]1CN(CCN(C)C)c1nn2cc(C)nc2s1 72296154 NZIRSEBDMVOHDX-AWEZNQCLSA-N 336.509 1.952 0 40 EDAB Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 72300215 JGMNOUIJQWIPPA-HNNXBMFYSA-N 347.440 1.980 0 40 EDAB CCCn1cc(CN[C@@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)cn1 72300634 DWDLYOSYWUEYMU-GOEBONIOSA-N 342.509 1.831 0 40 EDAB Cc1cc(=O)c(OCC(=O)NCCc2c[nH]c3ccccc23)cn1C 72325617 NWQYVIIAFRBHJS-UHFFFAOYSA-N 339.395 1.913 0 40 EDAB biogenic C[C@H](c1nnnn1-c1ccccc1)N1CCC[C@H](Cn2ccnn2)C1 95973131 GEAMZLCRXBCZPV-CABCVRRESA-N 338.419 1.727 0 40 EDAB CC(C)(CNC(=O)c1ccc(O)c(Cl)c1)N1CCS(=O)CC1 76020031 ZZLGYKSYUSWOPP-UHFFFAOYSA-N 344.864 1.618 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)Cc3cccc(Cl)c3)C2=O)cn1 76016997 YTNMZJJGIBZZEG-CQSZACIVSA-N 332.791 1.538 0 40 EDAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3cccs3)C[C@@H]1C2 306136634 PYUPQMAVRVPSLI-NWDGAFQWSA-N 343.456 1.536 0 40 EDAB Cc1nn(C)c(C)c1CNc1nc2c(C)nn(C)c2c(=O)n1C(C)C 32652388 MBFSQKPHBJATRY-UHFFFAOYSA-N 343.435 1.982 0 40 EDAB O=C(Cn1nc(-c2ccco2)ccc1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 61721973 YOBAGYOIGXEWRY-HZSPNIEDSA-N 325.368 1.832 0 40 EDAB NCCC1CCN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)CC1 1551541281 MDGAQGNIAILDME-ZIAGYGMSSA-N 334.386 1.299 0 40 EDAB Cc1cc(N2Cc3ccnn3[C@@H](CCN(C)C)C2)n2ncnc2n1 306123793 AWXJFYVPKPHONC-AWEZNQCLSA-N 326.408 1.142 0 40 EDAB O=C(c1ccc(Cl)s1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 38745086 RIECYILXKMMUPQ-SNVBAGLBSA-N 348.877 1.346 0 40 EDAB C/C=C/C(=O)O[C@@H]1/C=C/[C@H](O)[C@@H](OC(C)=O)CCC(=O)O[C@@H]1C 31164409 GXBAKQFLYWSOJH-BZUATWPKSA-N 326.345 1.049 0 40 EDAB biogenic,in-vitro CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 218601901 GYOCTJNJWBUSNI-KZNAEPCWSA-N 330.453 1.845 0 40 EDAB CC1(C)OC[C@H]2C[C@]21NC(=O)N=c1cc[nH]cc1Br 529042488 RVKATXXCZLGESE-OQPBUACISA-N 326.194 1.955 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C 76971458 FHCGIJYGRYFMDQ-JKSUJKDBSA-N 342.447 1.583 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)NCc1cnc(N2CCOCC2)nc1 218758777 GLPIOUPJZBYKNS-INIZCTEOSA-N 342.399 1.099 0 40 EDAB CC(C)COC(=O)N1CCN(c2cc(C(=O)N(C)C)ccn2)CC1 79031049 YPJVUUAANXOQLL-UHFFFAOYSA-N 334.420 1.698 0 40 EDAB COc1cccc(C(=O)N2CCc3nc([C@@H]4CCNC4)ncc3C2)c1 72390928 VKBIKVGJQYMQOU-CQSZACIVSA-N 338.411 1.761 0 40 EDAB CS(=O)(=O)CCN1CCN(Cc2ccc(Cl)c(F)c2)CC1 189968974 GNUPFJKETPFHMN-UHFFFAOYSA-N 334.844 1.641 0 40 EDAB CC(=O)N1CCO[C@H](c2cc(NCc3nccn3C)nc(C)n2)C1 72387093 JKLMYQHFLWVGGB-AWEZNQCLSA-N 330.392 1.050 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 46707696 OQBWIKXGEBCWGB-SNVBAGLBSA-N 338.791 1.761 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1O 40285610 DKSQGQXJPGJQGZ-LLVKDONJSA-N 325.796 1.585 0 40 EDAB CN(C)S(=O)(=O)c1cnn(CCN2CCCc3ccccc32)c1 331930002 KEKBBWZEFHDHQI-UHFFFAOYSA-N 334.445 1.586 0 40 EDAB C[C@@H]1OCC[C@H]1S(=O)(=O)N(CCN(C)C)Cc1cccs1 190241791 HPKQRXVQRDFIJA-GXTWGEPZSA-N 332.491 1.619 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H]1Cc2ccccc2[C@@H]1O 195286590 QDLGUPNALGCKSS-PBHICJAKSA-N 333.409 1.940 0 40 EDAB CCN(c1ccc(Cc2ncc(C(=O)O)c(C)n2)cc1)S(C)(=O)=O 226106253 LJSBBAHTWRHPNZ-UHFFFAOYSA-N 349.412 1.860 0 40 EDAB CCCCNC(=O)[C@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96192189 MJFXYVMKFPTCIK-JTQLQIEISA-N 332.326 1.715 0 40 EDAB COCCOc1ccc(C(=O)N2CC(Nc3ncccn3)C2)cc1 238878579 ORGQOHWWWXVZCO-UHFFFAOYSA-N 328.372 1.438 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 96161364 NUGKTUUOWOMODT-CVEARBPZSA-N 328.412 1.545 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)c2cccnc2N2CCCCC2)cn1 96444500 CSISEHVCXGLARX-SFHVURJKSA-N 343.431 1.443 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N1CCC(N(C)c2ccccc2)CC1 96455043 ULZDOYSUBYFFSV-HNNXBMFYSA-N 342.447 1.977 0 40 EDAB COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 332823888 GORFUKMZFZTXGJ-CABCVRRESA-N 335.452 1.410 0 40 EDAB CC1(C)Cc2ccc(NC(=O)Cn3cnc4ccccc43)cc2B(O)O1 584923091 JTRAUBZHUPZJBY-UHFFFAOYSA-N 349.199 1.714 0 40 EDAB CCn1cc2c(n1)CN(S(=O)(=O)c1cccnc1)C[C@@H]2COC 96045192 DXMJPHFFXROHRL-GFCCVEGCSA-N 336.417 1.233 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)c1cccnc1-n1cccn1 96402295 SWFICSLLQQDQIA-UHFFFAOYSA-N 337.387 1.515 0 40 EDAB COc1ccc(OC)c([C@H]2CCCN2Cc2cn(CC(=O)O)nn2)c1 578778027 DUFMEUFMDISGBT-OAHLLOKOSA-N 346.387 1.717 0 40 EDAB Cc1cccc(CN2CC3(CCN(CCN(C)C)CC3)OCC2=O)n1 96201460 GFILXGGFBYFGJE-UHFFFAOYSA-N 346.475 1.145 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)N2CCCS(=O)(=O)CC2)c1 96436479 FJZQYTGJHLAONI-UHFFFAOYSA-N 333.413 1.441 0 40 EDAB O=C(c1ccccn1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96058167 XPNDELJOODIMLU-VYDXJSESSA-N 325.368 1.928 0 40 EDAB CCN(CC)Cc1cc(=O)n2c(n1)CN(C(=O)c1ccc[nH]1)CCC2 96197556 HOSKJJJLXSXIOF-UHFFFAOYSA-N 343.431 1.459 0 40 EDAB CCOc1ncccc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 583621076 YQYFYAZBHNGVAL-ZBFHGGJFSA-N 340.383 1.577 0 40 EDAB COCCN1CCOC[C@@]2(CCCN(Cc3nccs3)C2)C1 96049464 XSUMAVUTVQLJFL-INIZCTEOSA-N 325.478 1.704 0 40 EDAB O=C(COCc1nnn2c1CN(CC1CC1)CCC2)N1CCCC1 96259005 HNLVGFOUTULXTP-UHFFFAOYSA-N 333.436 1.033 0 40 EDAB O=C(c1cnccn1)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 96042471 SYCULDCOWZLTAD-ZACQAIPSSA-N 340.383 1.460 0 40 EDAB O=C([C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccncc2)O1)N1CCOCC1 96057498 IHAVITGYKITAIQ-BRWVUGGUSA-N 331.416 1.062 0 40 EDAB Cc1ccc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)nn1 96038639 VITZPAXNERHTGB-RBSFLKMASA-N 332.404 1.038 0 40 EDAB O=C1CN(CC2CC2)[C@]2(CCN(C(=O)Nc3ccccc3)C2)CN1 96238275 BLBLWMSXQNAUTO-GOSISDBHSA-N 328.416 1.505 0 40 EDAB CCO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1ccccc1C)C2 248044545 WNNABDPZDOBRGM-AWEZNQCLSA-N 325.430 1.954 0 40 EDAB CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)N=c3cc[nH]cc3)CO2)C1 585120011 GFCAPVMIUBWWPZ-ZDUSSCGKSA-N 348.403 1.403 0 40 EDAB CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC)nn2)cc1CC 585129433 JDDCZGPZYGXPDY-UHFFFAOYSA-N 348.428 1.762 0 40 EDAB CCCCNC(=O)[C@@H](C)N1CC[C@H](c2n[nH]cc2C(=O)OCC)C1 585116424 UUQJARBZEJGWGA-OLZOCXBDSA-N 336.436 1.681 0 40 EDAB Cc1onc(N)c1S(=O)(=O)Nc1cccc(N=S(C)(C)=O)c1 585119011 MPKIFYKBHPGQMA-UHFFFAOYSA-N 344.418 1.725 0 40 EDAB COc1cc(CCC(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)on1 257229525 FYKZZQJTNBEHDL-CKEIUWERSA-N 337.420 1.110 0 40 EDAB CNc1cc(N2CC[C@](O)(CNC(=O)c3ccc(C)s3)C2)ncn1 257228353 FTMRLSFRNDMRMP-INIZCTEOSA-N 347.444 1.259 0 40 EDAB Cc1cnc(C2(C)CCN(S(=O)(=O)c3cn(C)cn3)CC2)s1 257272039 NAVRREFDCOLHGT-UHFFFAOYSA-N 340.474 1.927 0 40 EDAB CC(C)c1nnc(CCC(=O)N2CCO[C@H](c3cnccn3)C2)o1 257339389 ZBMFQRPMZOHYOK-ZDUSSCGKSA-N 331.376 1.516 0 40 EDAB CCc1nccn1-c1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cn1 257306924 SWPBTKOYRITQFD-INIZCTEOSA-N 348.428 1.137 0 40 EDAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1cc(-c2cccc(F)c2)no1 257247832 JASYZJQJOBNSJJ-XNRPHZJLSA-N 334.347 1.875 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)cc1 257336233 YNPVPGKVSPEGMN-HOTGVXAUSA-N 341.429 1.654 0 40 EDAB COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@@H](Cc2ccccc2)C1 271998700 RLMXQLFSOYHRLO-HIFRSBDPSA-N 341.429 1.069 0 40 EDAB Cc1nccn1C[C@@H](C)CNC(=O)c1ccc2c(c1)C(=O)NCCO2 1615003185 SXNIJLYMUWZEDI-LBPRGKRZSA-N 342.399 1.380 0 40 EDAB N[C@@H]1CCCC[C@@H]1n1cc(C(=O)N(CC(F)(F)F)C2CC2)nn1 1615554023 JHLOHJJGODEDCL-PWSUYJOCSA-N 331.342 1.887 0 40 EDAB COc1cc(OC)cc(N2CCCN(C[C@@]34CN[C@@H](CO3)C4)CC2)c1 1616038400 GTCILPONDFEZLO-DNVCBOLYSA-N 347.459 1.347 0 40 EDAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cccc(Cl)c1 575420156 GLZVRYGVUJZLIR-QWHCGFSZSA-N 346.836 1.341 0 40 EDAB CC(C)c1nnc(Cn2nc(C(N)=O)nc2Cc2ccccc2)s1 572739859 IAPVQOBRBFJXNC-UHFFFAOYSA-N 342.428 1.991 0 40 EDAB Cc1ccc(N2CCC(O)(CN3CCC[C@@](C)(C(N)=O)C3)CC2)cc1 585282541 GFHCDIMYOLAZFM-LJQANCHMSA-N 345.487 1.914 0 40 EDAB CC(C)N1CCOC[C@@]2(CN(C(=O)c3ccnc(F)c3)CCO2)C1 585101541 ZWONYUIKXMOPBM-KRWDZBQOSA-N 337.395 1.173 0 40 EDAB C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)CC1CC1 585097226 GPOLZVCKNVWGLE-ZDUSSCGKSA-N 328.416 1.527 0 40 EDAB COC(=O)[C@@H](NS(=O)(=O)c1cn(C(C)C)cn1)c1cccnc1 585141494 VKCJZLUZHAYETN-ZDUSSCGKSA-N 338.389 1.052 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1ccc2c(c1)CCCN2C 585288213 RNOMPYUPFJKESB-KURKYZTESA-N 348.443 1.570 0 40 EDAB Cc1cccc(OC[C@]2(O)COCCN(C(=O)c3ccccn3)C2)c1 585269511 XRRXZTJZAPOPQI-LJQANCHMSA-N 342.395 1.673 0 40 EDAB Cc1cc(C)c(CNC(=O)c2cc3c(C)nn(C)c3nc2C)c(=O)[nH]1 29009493 DERDKPXPWPIXTP-UHFFFAOYSA-N 339.399 1.820 0 40 EDAB CCN(C(=O)c1cc2ccc(C)cc2nc1C)[C@H]1CC(=O)NC1=O 69489145 BWYAIEZKDXOOOI-HNNXBMFYSA-N 325.368 1.729 0 40 EDAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)N[C@H]1CCCOC1 69626245 YUZBWLGVCOECBD-ZDUSSCGKSA-N 339.417 1.428 0 40 EDAB Cc1ccc(C[C@H]2CCCN2C(=O)Cn2ccc(=O)n(C)c2=O)cc1 69740635 BIGVFISHQHEJTE-MRXNPFEDSA-N 341.411 1.089 0 40 EDAB CCOC(=O)C1=C(CSc2nncc3ccccc23)NC(=O)NC1 44157085 HPRUIJCOJFZNAY-UHFFFAOYSA-N 344.396 1.852 0 40 EDAB CS(=O)(=O)c1ccc(OCCNC(=O)NCc2ccncc2)cc1 75133488 LFWKWAQLJCTURB-UHFFFAOYSA-N 349.412 1.363 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CS(=O)(=O)CC(C)C 75130409 IBQNYQKBKWPMJB-AWEZNQCLSA-N 341.477 1.771 0 40 EDAB Cc1oc(-c2ccccc2)nc1CS(=O)(=O)CC(=O)N1CCC1 57740359 LCARTYPVVBZQKC-UHFFFAOYSA-N 334.397 1.797 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)c1ccccc1 80121328 PCNCTRVIIGNRKS-GDBMZVCRSA-N 338.473 1.953 0 40 EDAB C[C@H]1C[C@H](C)CN(CCCCNS(=O)(=O)c2cnn(C)c2)C1 40539645 WJVDHJIBMRRMGU-KBPBESRZSA-N 328.482 1.457 0 40 EDAB Nc1ccc2c(N3CCCN(c4nccs4)CC3)ncnc2n1 90083254 XZJOMWGWIHMBRD-UHFFFAOYSA-N 327.417 1.780 0 40 EDAB CC[C@H](CCO)NC(=O)Nc1nc2ccc(Br)cn2n1 97376556 PHUKLNQIEXUOJB-SECBINFHSA-N 342.197 1.774 0 40 EDAB Cc1noc(CN2CCN(C[C@H](O)COCc3ccccc3)CC2)n1 84963749 XBAHWOOOPXDAOX-KRWDZBQOSA-N 346.431 1.073 0 40 EDAB Cc1cc(-n2ccnc2)ccc1CN1CCC[C@@](O)(c2cnn[nH]2)C1 583617882 DFRPHRXJHBQJDD-SFHVURJKSA-N 338.415 1.782 0 40 EDAB C[C@H](CCO)NC(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 585090984 KGLUGYJNTWIAER-IIYDPXPESA-N 326.437 1.911 0 40 EDAB CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCc1ccnn1C 1615586581 CGUVMNVJCCYRJP-HUUCEWRRSA-N 338.452 1.577 0 40 EDAB CSc1ccc(Cl)c(C(=O)N2CC(n3cc(CO)nn3)C2)c1 1615614862 KJVKNPWXSWMBIN-UHFFFAOYSA-N 338.820 1.843 0 40 EDAB O=C(N/C(=C\c1ccccc1)C(=O)N1CCNCC1)c1ccccc1 5767565 BTYHARCYXAXIJA-SDXDJHTJSA-N 335.407 1.889 0 40 EDAB Cc1cc(C(=O)N2CCc3nc4scc(C)c4c(=O)n3CC2)on1 12253324 NZYPXQHXMSRQEG-UHFFFAOYSA-N 344.396 1.761 0 40 EDAB Cc1cc(-c2cnn(CCNC(=O)c3cnn(C)c3)c2C2CC2)on1 13226725 OGPXXJBWOVXDFY-UHFFFAOYSA-N 340.387 1.887 0 40 EDAB CCOc1ccc(NC(=O)C[C@H]2N[C@@H]3CCCC[C@@H]3NC2=O)cc1 13769280 PIKMAMRNLUSSDQ-OWCLPIDISA-N 331.416 1.813 0 40 EDAB COc1cccc(C(=O)N2CC[C@H](C(=O)NC3CCN(C)CC3)C2)c1 19656935 CRPCIAOTNCHROK-HNNXBMFYSA-N 345.443 1.368 0 40 EDAB Cc1nc(C2CCN(C(=O)c3scnc3C)CC2)ncc1C(N)=O 19766617 DWPSJVYLLLJJKF-UHFFFAOYSA-N 345.428 1.669 0 40 EDAB Cc1cnccc1CCNC(=O)N1CCO[C@H](c2cnn(C)c2)C1 164060157 WYIVRVKBRWWVFC-INIZCTEOSA-N 329.404 1.449 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCC[C@H](Oc3ccc(C)nn3)C2)CC1 225460343 GSPCUQDANPOKSU-INIZCTEOSA-N 346.431 1.413 0 40 EDAB CC(=O)N[C@@H](CO)CC(=O)c1ccc2c(c1N)C(=O)CC(C)(C)O2 15248711 VXRAAUKUZQYZRW-SNVBAGLBSA-N 334.372 1.082 0 40 EDAB endogenous,in-man CNC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O 19208075 PQXPFGJCAMNJJG-UHFFFAOYSA-N 337.335 1.281 0 40 EDAB Cn1cc(S(=O)(=O)NCC[C@@H](CCO)c2ccsc2)cn1 575621598 PWJMUCBIAVEMBN-NSHDSACASA-N 329.447 1.316 0 40 EDAB CCc1ncnc(N2CCCN(Cc3ccn(C)c(=O)c3)CC2)c1F 1888854107 USRWVRNYDLIWRF-UHFFFAOYSA-N 345.422 1.589 0 40 EDAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccc(C(N)=O)c1 25334005 DHGGZILUKVXAOL-BDJLRTHQSA-N 326.352 1.630 0 40 EDAB Cc1ccccc1N1C[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)CC1=O 1565545469 GUSNCFUIROCDCL-HCCHORAYSA-N 340.423 1.843 0 40 EDAB O=C(c1cccc(F)c1)N1C[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 1565542300 IWMIZXAKEHCMTH-QZTJIDSGSA-N 341.386 1.946 0 40 EDAB CS(=O)(=O)C1=C(N)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 36785 WHKVGELUOWYMIC-HNNXBMFYSA-N 328.393 1.989 0 40 EDAB COc1ccc(Nc2nc(NN)nc(OCC(F)(F)F)n2)cc1 32710 LPORINAOIZTZEJ-UHFFFAOYSA-N 330.270 1.851 0 40 EDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2cc(C)[nH]n2)C1 2055750812 AGOBCTXDRJNXCS-QGZVFWFLSA-N 331.395 1.660 0 40 EDAB COc1ccc(C(=O)N2CC3(C2)CN(C)c2nccnc23)c(OC)c1 2055794294 AVTFWIZRAXEERL-UHFFFAOYSA-N 340.383 1.337 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCc1ccc(F)cc1F 38718785 NGIZJXCVOLSZQE-UHFFFAOYSA-N 348.305 1.626 0 40 EDAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)O)CC1)NC2=O 12086500 PFTHLOGLPAYYQO-APPDUMDISA-N 331.372 1.332 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(c2nc(-c3ccccc3)ns2)C1 97096947 OCTYMEVXCSGWQA-GFCCVEGCSA-N 338.458 1.723 0 40 EDAB COc1ccc(C(=O)O)cc1NC(=O)CSc1nc(N)cc(N)n1 215678388 HLZPQBHXWRLHBL-UHFFFAOYSA-N 349.372 1.079 0 40 EDAB CCc1nc(C)c(C(=O)NCCNC(=O)COc2ccccc2)s1 50313693 CBDPDCARKKOZJK-UHFFFAOYSA-N 347.440 1.939 0 40 EDAB COc1ccc(OCCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 40460714 MVTUXJHJLLJNCA-QGZVFWFLSA-N 334.416 1.397 0 40 EDAB NC(=O)C1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1 40549701 ZEOACAIYWISNPP-UHFFFAOYSA-N 332.791 1.863 0 40 EDAB COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(OC)c(O)c1 223146 GBNKCMWQDKXKGP-UHFFFAOYSA-N 333.340 1.544 0 40 EDAB Nc1nccnc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 32879583 ZZONGJHMIWGTJX-UHFFFAOYSA-N 337.836 1.732 0 40 EDAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N1CCOCC1 41248215 KIIKIOPNJISQHR-JTQLQIEISA-N 330.306 1.683 0 40 EDAB CCOC(=O)/C=C/c1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)cc1 32912529 PSBHPJMVNKPJPV-IEOKHJKGSA-N 349.408 1.413 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NCc2ccc(Cn3cccn3)cc2)C1 33006728 AXANRVZEJQBUED-MRXNPFEDSA-N 341.415 1.338 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1OC 33212373 YESVJHZNJUWBDJ-AWEZNQCLSA-N 342.399 1.622 0 40 EDAB CC(=O)N1CCCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 53356596 WBLKJXOAJBFAFW-AWEZNQCLSA-N 336.819 1.972 0 40 EDAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccccc1F 23296646 FSSMSLAXEXKXKF-UHFFFAOYSA-N 336.388 1.820 0 40 EDAB O=c1c2ccccc2cnn1CN1CCC(CN2CCOCC2)CC1 54518763 UHOSAOQWXNFXGQ-UHFFFAOYSA-N 342.443 1.398 0 40 EDAB CN(C)CC(=O)Nc1ccccc1NC(=O)[C@H]1[C@H](C(=O)O)C1(C)C 71285008 LCBDVPLJGBTLSE-ZIAGYGMSSA-N 333.388 1.482 0 40 EDAB O=C1O[C@@H](C(=O)NCc2cccnc2-n2cccn2)Cc2ccccc21 24590505 YHLFOVUMFHRZDC-MRXNPFEDSA-N 348.362 1.665 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@H]2CN(C)C[C@@H]2C)cc1OC 78898930 DZHJAXRYIDIBQD-RYUDHWBXSA-N 328.434 1.241 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(CCOc3cccc(F)c3)C2)n[nH]1 78900459 FGBGXDSUIGZGJD-LBPRGKRZSA-N 332.379 1.906 0 40 EDAB COc1ccc([C@H]2NC(=O)c3ccccc3N2CC(N)=O)cc1OC 24987799 RHAYUAOBHLCKNN-KRWDZBQOSA-N 341.367 1.438 0 40 EDAB COC(=O)CCCC[C@H]1SC[C@@H](NC(=O)c2ccccc2)[C@@H]1O 4027552 MKXMYDFBYDXTMK-FMKPAKJESA-N 337.441 1.995 0 40 EDAB biogenic CCn1c(=O)c2c(nc3n2C(C)=C(C)[C@@H]3CCCOC)n(C)c1=O 4314319 SXQLCSPBOXSNMR-LBPRGKRZSA-N 332.404 1.691 0 40 EDAB CN([C@@H]1CCCN(c2cccnn2)C1)[C@@H](C(N)=O)c1ccc(F)cc1 106840183 HQICCNTZSRBZKT-NVXWUHKLSA-N 343.406 1.743 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccncc2)ccc1Cl 25323348 URWJFOSDOKJXBC-UHFFFAOYSA-N 325.777 1.895 0 40 EDAB CCCNS(=O)(=O)c1ccc(CCC(=O)NCCOC)cc1 6880241 RPILOROSPQAOAN-UHFFFAOYSA-N 328.434 1.070 0 40 EDAB C[C@H](NC(=O)CS(=O)(=O)c1nccn1C)[C@@H]1C[C@H]2CC[C@H]1C2 107313722 ODVYHNZKXKHJMC-CYDGBPFRSA-N 325.434 1.135 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 108487051 OJHMFUXEARMSST-AXFHLTTASA-N 330.372 1.208 0 40 EDAB Cc1ccc(-n2nnnc2SCC(=O)NC[C@@H]2CCCO2)cc1C 8427790 YEJUYEVAFZSWAA-AWEZNQCLSA-N 347.444 1.666 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2F)ccc1OC 8476007 OUFRQBGPZFTJNI-UHFFFAOYSA-N 338.360 1.995 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)CCO1 27116857 YIYACYOHSZTAEQ-LLVKDONJSA-N 334.376 1.182 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)Cn2nnc(-c3cccnc3)n2)c1 58023640 FZLLHUBXKUXASW-HNNXBMFYSA-N 325.372 1.792 0 40 EDAB CCNC(=O)C1(NC(=O)c2cnc3[nH]nc(C)c3c2)CCCCC1 58209686 FPNNDZBOPNQMAN-UHFFFAOYSA-N 329.404 1.835 0 40 EDAB NC(=O)CCS(=O)(=O)CCN1CCC[C@H]1c1ccccc1Cl 44978090 ANDAZVKRAHKATO-AWEZNQCLSA-N 344.864 1.767 0 40 EDAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1 44938808 HFRRCNZTUCTTFK-SECBINFHSA-N 326.349 1.530 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCC(C(=O)NCc2ccco2)CC1 58393089 QFEQKMBBHOQCGM-AWEZNQCLSA-N 333.432 1.619 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100615148 OEVVWXFIYQUZHV-PMQCXYRDSA-N 337.375 1.735 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccco1)c1ccccc1 29069326 UHWOOUCDIQPQGE-MRXNPFEDSA-N 338.367 1.649 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)CCc2c(C)noc2C)c2ccccc2O1 29767338 SKNJLKRGYYXCRO-INIZCTEOSA-N 343.383 1.764 0 40 EDAB O=C(NCCNc1ncccn1)c1cc(Cl)c2c(c1)OCCO2 47105843 FZEYZEKTJXPIKL-UHFFFAOYSA-N 334.763 1.743 0 40 EDAB COc1ccccc1CCNC(=O)N1CCN(c2ncccn2)CC1 12615236 SFCUFCKENVYLGQ-UHFFFAOYSA-N 341.415 1.560 0 40 EDAB C[C@H](CCc1ccco1)NC(=O)Cn1nnn(-c2cccs2)c1=O 48261706 SKRGYTSYCMVIMN-LLVKDONJSA-N 347.400 1.221 0 40 EDAB CC[C@H](C)[C@H](C(=O)N[C@@H](C)C(=O)OC)N1C(=O)c2ccccc2C1=O 12790339 VKNPVPBGTHEUGZ-COPLHBTASA-N 346.383 1.375 0 40 EDAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCOCC3)c2)n1 48317676 QZOZWCIBOLRKKG-UHFFFAOYSA-N 344.371 1.913 0 40 EDAB O=C(COC(=O)CCCNC(=O)c1ccc(Cl)cc1)NC1CC1 3426875 GANALXSMGZWBKK-UHFFFAOYSA-N 338.791 1.672 0 40 EDAB CCNC(=O)NC(=O)COC(=O)c1ccc(Br)cc1 3508681 NBTRUPNVYXGALN-UHFFFAOYSA-N 329.150 1.452 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(c2nccs2)CC1 13000092 LCJGCRFKFQGRQZ-UHFFFAOYSA-N 349.460 1.477 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)NC1CC1)CC2 9135186 QVZXCKIBJQDQPT-UHFFFAOYSA-N 347.415 1.440 0 40 EDAB CCN1CCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 96005993 UAEDOPRRMNRBFE-SFHVURJKSA-N 346.475 1.100 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c[nH]1 95446875 RFLHGONOEZMPDN-CQSZACIVSA-N 343.358 1.748 0 40 EDAB CNC(=O)c1ccc(NC(=O)NCCNC(=O)OC(C)(C)C)cc1 65359030 OVPHJRFYXTUYPA-UHFFFAOYSA-N 336.392 1.692 0 40 EDAB O=C(CSc1nnnn1-c1cccc(F)c1)NCc1ccco1 5219927 XGLXCBJEBLQDKT-UHFFFAOYSA-N 333.348 1.803 0 40 EDAB CCOc1ncccc1NS(=O)(=O)c1cccc(-n2cnnn2)c1 65538744 SPANXPVFFGADFF-UHFFFAOYSA-N 346.372 1.257 0 40 EDAB O=C(Cn1cnnn1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 14121016 MBAHHWKOTCPVKF-UHFFFAOYSA-N 337.265 1.516 0 40 EDAB C/C=C/C(=O)O[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 6461342 JCPQMULTHOCMQS-OKPNEXGHSA-N 340.401 1.383 0 40 EDAB COc1ccc(OCC(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1 4505149 ZRVBCYGSEUTVCA-HNNXBMFYSA-N 327.402 1.110 0 40 EDAB CC[C@@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 19796972 HLLOUPGWARTUEV-SNPRPXQTSA-N 345.486 1.322 0 40 EDAB CN(CCNC(=O)CN(C)[C@@H]1CCSC1)C(=O)OC(C)(C)C 95441953 AAGAKASXVYGUQJ-GFCCVEGCSA-N 331.482 1.407 0 40 EDAB CCOc1c(CNCCCSc2nnnn2C)cccc1OC 4993813 OORHIAJEKDVJFM-UHFFFAOYSA-N 337.449 1.889 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2F)c1=O 4999894 QDFZMPZEMCVVDD-UHFFFAOYSA-N 341.342 1.961 0 40 EDAB CCn1nc(C)c(CNC(=O)NCc2ccc(N(C)C)nc2)c1C 67389364 NWXAXWUMKXTGHK-UHFFFAOYSA-N 330.436 1.980 0 40 EDAB CCCNC(=O)CN1CCC(Nc2cncc(SCC)n2)CC1 71857342 JDFPHGXCVNNTBB-UHFFFAOYSA-N 337.493 1.991 0 40 EDAB C[C@H](O)CN1CCN(C(=O)Cc2ccccc2Br)CC1 71871526 DCJWPPLDKKFLST-LBPRGKRZSA-N 341.249 1.517 0 40 EDAB CN1CCN(CCCN(C)C(=O)CCc2cccc(F)c2F)CC1 71896512 IECUCNAHCOIGNM-UHFFFAOYSA-N 339.430 1.993 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N1CCC[C@@H]1c1ccccc1 71803263 HHOKSTRWSWXXCI-OAHLLOKOSA-N 339.461 1.863 0 40 EDAB C[C@@H]1C[C@@H](N(C)[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)C(=O)O1 71870823 GCBBORBMPKSBQG-MRVWCRGKSA-N 334.420 1.547 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)[C@H](C)OC[C@H]1CCCO1)C2 71860284 REJUXSVFGVYSON-GXTWGEPZSA-N 334.420 1.377 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 71881869 WWRFEUOPXYVXOE-OAHLLOKOSA-N 340.851 1.804 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CCCC[C@@H]1C1OCCO1 69294133 ZSLNDKAOPHSARO-OAHLLOKOSA-N 328.372 1.635 0 40 EDAB Cc1nc(-c2ccc(S(=O)(=O)NCc3cnn(C)c3)cc2)co1 71910226 SYEIYUOSXKNABZ-UHFFFAOYSA-N 332.385 1.862 0 40 EDAB CN(C)c1ccc(CNC(=O)NCC[S@@](=O)c2ccccc2)cn1 71909902 YCIORNPXFCHAJE-DEOSSOPVSA-N 346.456 1.755 0 40 EDAB CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC)C1=O 9691025 UCGDPQQXZKDWIJ-KRWDZBQOSA-N 346.387 1.080 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8328719 FHPKZDCFPCZBDB-UHFFFAOYSA-N 343.339 1.217 0 40 EDAB Cc1cc(C)n2nc(C(=O)N[C@H](C)CC(=O)c3ccco3)nc2n1 95413765 PSQIBXDWQQEHLP-SNVBAGLBSA-N 327.344 1.725 0 40 EDAB CC(C)c1noc([C@H](C)N2CCN(CCCS(C)(=O)=O)CC2)n1 69464643 CZXFYONYKXQUQS-ZDUSSCGKSA-N 344.481 1.306 0 40 EDAB C[C@@H](Cn1cccn1)NCC(=O)N(C)C[C@H]1COc2ccccc2O1 69415988 OCQNRYNZVHLTFT-GJZGRUSLSA-N 344.415 1.160 0 40 EDAB O=C(CCNC(=O)[C@H]1Cc2ccccc2C(=O)O1)Nc1ccncc1 69587318 UNCLDQYPNNXPHA-OAHLLOKOSA-N 339.351 1.308 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCCC[C@@H]1Cc1ccc(F)cc1 69560761 ZJTVHLPWKCYRED-MRXNPFEDSA-N 342.436 1.800 0 40 EDAB Cn1cnc(CNC(=O)N2CCO[C@H](c3ccccc3Cl)C2)n1 91791328 POIOJWSJEFKROV-ZDUSSCGKSA-N 335.795 1.752 0 40 EDAB Cn1cc(CN2CCN(C[C@@H](O)c3ccccc3Cl)CC2)cn1 69630491 WYCDBORBNBLJSW-QGZVFWFLSA-N 334.851 1.925 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1Cc1ccccc1 69631685 RELGWMTXADRTPV-JKSUJKDBSA-N 336.457 1.980 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccs2)n2ncnc2N1 17831995 NTPGWDVSWHXXHX-ZDUSSCGKSA-N 331.401 1.487 0 40 EDAB CC(=O)N1CCC(NC(=O)COc2ccc3ncccc3c2)CC1 69776570 MQARELMDBWNOSN-UHFFFAOYSA-N 327.384 1.741 0 40 EDAB Cc1ccc(NC2CCN(C(=O)[C@H](C)OC[C@@H]3CCCO3)CC2)nn1 69896933 QHKXXZUBBRXDRI-HOCLYGCPSA-N 348.447 1.772 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 69948660 KEEOWEFMRABIJA-HNNXBMFYSA-N 331.416 1.323 0 40 EDAB CC(=O)CSc1nnc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1N 9089006 RDUARKAJZDHZEE-UHFFFAOYSA-N 332.364 1.869 0 40 EDAB Cn1cnn(CC(=O)N(Cc2ccco2)c2ccc(F)cc2)c1=O 97048347 ZTYYFVKCVDXYLN-UHFFFAOYSA-N 330.319 1.547 0 40 EDAB CCc1nc(CN2CCN(C(=O)COc3ccccc3C)CC2)n[nH]1 97096406 LZWFFLMXTWCSCU-UHFFFAOYSA-N 343.431 1.399 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(CS(C)(=O)=O)o1)C2 72280635 DMTDGTSQNJCUDB-NSHDSACASA-N 337.401 1.074 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)Cn2c(C)nc3ccccc32)CC1 72268902 ZQZXYWCFEXNQFU-HNNXBMFYSA-N 330.432 1.260 0 40 EDAB COC(=O)CN1CCCN(C(=O)CCOc2cccc(C)c2C)CC1 72297789 BNOOPFGYNRBBFN-UHFFFAOYSA-N 348.443 1.780 0 40 EDAB COc1ccc(F)c(NC(=O)Cc2ccc(-n3cnnn3)cc2)c1 88210333 RSUFOOMHPIRRSG-UHFFFAOYSA-N 327.319 1.991 0 40 EDAB CC[C@H]1CN(Cc2csc(NC(C)=O)n2)CCN1C[C@@H](C)O 75129393 SQBULSBPGJLDCP-RISCZKNCSA-N 326.466 1.379 0 40 EDAB Cc1nc(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)sc1C 75103779 KRJQEALBRLHMCW-UHFFFAOYSA-N 325.438 1.173 0 40 EDAB NS(=O)(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 76019487 OLOBBXMBXFKKMF-DTWKUNHWSA-N 334.800 1.377 0 40 EDAB CC(=O)N1CCN([C@@H]2CN(CCOc3cccc(C)c3)C[C@H]2C)CC1 76055763 LBEGFVTYAQCVAX-YLJYHZDGSA-N 345.487 1.858 0 40 EDAB CC(C)CS(=O)(=O)NC1CCN(c2cc(C(=O)O)ccn2)CC1 547939883 NSSHUURMHVKAKG-UHFFFAOYSA-N 341.433 1.324 0 40 EDAB COC[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 408618158 DCEUVPUCSYRAOX-NSHDSACASA-N 348.852 1.253 0 40 EDAB CCOC(=O)c1ccccc1NC(=O)c1cc(C(=O)OC)n(C)n1 35655123 QNDSDDPPWXTSMV-UHFFFAOYSA-N 331.328 1.636 0 40 EDAB Cc1cocc1C(=O)N1C[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C(C)(C)C1 1008355278 ODYNSNSFGJVZTI-SCLBCKFNSA-N 347.415 1.081 0 40 EDAB C[C@H]1CN(C(=O)c2ncc3c(F)cccn23)C[C@@H]1N1CCOCC1 528694744 GTANTMQBFBTDAZ-WFASDCNBSA-N 332.379 1.266 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@@]2(N)CO)cc1 218561257 QHWBIMUMVFPTSP-BBWFWOEESA-N 335.400 1.764 0 40 EDAB O[C@@H](CNC[C@@H](O)COCc1ccccc1)COCc1ccccc1 36724574 RDMRJMNWVLCKJA-BGYRXZFFSA-N 345.439 1.731 0 40 EDAB CC(=O)N1CC[C@H](c2nn(CCNCC(C)(C)C)c3nccnc23)C1 72391618 YWCRTTGVKAGXRY-AWEZNQCLSA-N 344.463 1.798 0 40 EDAB COc1ccc([C@H]2CCN(C(=O)N[C@H](C)CS(C)(=O)=O)C2)cc1 72682716 HGGPWOSFQNXQQW-OCCSQVGLSA-N 340.445 1.627 0 40 EDAB CN(C)c1n[nH]c(C2CCN(C(=O)CCc3cscn3)CC2)n1 559265859 KAFMKKRQNWFWIK-UHFFFAOYSA-N 334.449 1.666 0 40 EDAB Cc1cc(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)c(C)o1 238949388 WSVBRDSMOHHJEC-KBPBESRZSA-N 328.368 1.672 0 40 EDAB CCN1CCN(C(=O)c2cc(C)nc(N3CCCCCC3)n2)CC1 72241501 SYYMIFTWSPKAHF-UHFFFAOYSA-N 331.464 1.943 0 40 EDAB CC(C)(C)OC(=O)N[C@@]1(CN)C[C@@H]1S(=O)(=O)c1ccccc1 217977964 KIAYRNFCCBEVHG-SWLSCSKDSA-N 326.418 1.455 0 40 EDAB CN1N=C(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CCC1=O 71886295 MESSELLYKJYCLT-LBPRGKRZSA-N 349.362 1.930 0 40 EDAB NC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1Cl 226687923 AIKVWLOQHMNUNG-UHFFFAOYSA-N 344.776 1.276 0 40 EDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@H](N2CCCCCC2)C1 135589086 APJNTNUMPIAWMX-JYJNAYRXSA-N 330.494 1.834 0 40 EDAB O=S(=O)(NC[C@@]1(O)CCOc2ccccc21)c1cccs1 85554965 BASCAFSCIOCPFZ-AWEZNQCLSA-N 325.411 1.697 0 40 EDAB O=C(c1ccnc(-n2cccn2)c1)N1CCCC[C@H]1c1nc(O)n[nH]1 572620979 WABZTWLDZVYYOC-LBPRGKRZSA-N 339.359 1.458 0 40 EDAB C[C@H]1Oc2c(cccc2C(=O)N(CC(=O)O)C2CCOCC2)NC1=O 531747820 CBBUCWFYUCSLPH-SNVBAGLBSA-N 348.355 1.112 0 40 EDAB NC(=O)c1nccnc1C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 81354265 QCROSZPUHSIZKT-UHFFFAOYSA-N 346.337 1.874 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)s1 224617970 BKPJRHVRZCCCHF-VIFPVBQESA-N 340.430 1.844 0 40 EDAB COc1ccc(/C=C/C(=O)N[C@@H]2CCc3nnc(C)n3C2)cc1F 95957936 NEANOPVVCIQYHE-FLUIGGAXSA-N 330.363 1.879 0 40 EDAB CCS(=O)(=O)N1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 96048769 VCVLKJBPTCJDCD-CQSZACIVSA-N 328.459 1.917 0 40 EDAB CC(C)c1ncc(C(=O)OCCn2nc3ccccn3c2=O)s1 95430947 VBZJQKPJZPKDAB-UHFFFAOYSA-N 332.385 1.933 0 40 EDAB Cn1cc(CN2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)cn1 96159067 LIZLHBQMUUTLSF-UHFFFAOYSA-N 346.410 1.221 0 40 EDAB O=C1NCCO[C@H]2CN(C(=O)c3cc4ccccc4s3)CC[C@@H]12 96107079 NKAZQBKSQYFBPE-OLZOCXBDSA-N 330.409 1.878 0 40 EDAB Cc1cnc(N2CCO[C@]3(CCCN(c4ncccn4)C3)C2)nc1 96074819 HJALTQHELHNJQG-KRWDZBQOSA-N 326.404 1.451 0 40 EDAB Cc1noc(C)c1CN1CCn2c(COc3ccccn3)nnc2C1 96259040 DQODSDPVUTWERQ-UHFFFAOYSA-N 340.387 1.873 0 40 EDAB CCc1ccc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)o1 96041158 DXTCJFPVPICYGC-OKZBNKHCSA-N 348.443 1.538 0 40 EDAB CC1CCN(CC(=O)NCCS(=O)(=O)c2ccccc2F)CC1 96475002 YOXGCBQAUFCBPR-UHFFFAOYSA-N 342.436 1.448 0 40 EDAB COc1cccc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCO3)C2)c1 97953654 ZSHBMCLHPZNJLL-OKZBNKHCSA-N 346.427 1.696 0 40 EDAB COc1ccc2c(c1)nc1n2[C@@H](CNCc2cnn(C)c2)COC1 96112684 WCETXNKCRGEWAF-ZDUSSCGKSA-N 327.388 1.640 0 40 EDAB biogenic,in-vitro CCc1ccc(OC[C@H](O)CN2CCc3ncnc(OC)c3C2)cc1 97202079 KBLDAILRVYHBGV-OAHLLOKOSA-N 343.427 1.846 0 40 EDAB CCOCC(=O)N1Cc2nccn2C[C@@H](CN(C)Cc2ccco2)C1 96067131 BZMZIEBHLREHST-OAHLLOKOSA-N 346.431 1.603 0 40 EDAB Cn1cccc1C(=O)N1Cc2cnn(C)c2[C@H](COCC2CC2)C1 96060118 LMUZCXCDTPZIPZ-HNNXBMFYSA-N 328.416 1.925 0 40 EDAB O=S(=O)(c1cccs1)N1C[C@@H]2CN(CC3CCOCC3)C[C@@H]21 96250904 OOXRGLPJBSTJKO-KBPBESRZSA-N 342.486 1.479 0 40 EDAB CCOC(=O)[C@@H]1[C@H]2CC[C@@H](N)[C@H]2CN1C(=O)OCc1ccccc1 91302537 CFLWNOAOPASYSF-JONQDZQNSA-N 332.400 1.924 0 40 EDAB Cn1cc(CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cn1 96419251 QPUKUMMHUTUNSZ-UHFFFAOYSA-N 327.793 1.407 0 40 EDAB Cc1ccsc1CN1CC[C@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 96107703 JIPKXAKLEYEEBN-PBHICJAKSA-N 338.473 1.895 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@@H]12 96038618 ZRKVVMXULVGSOO-BPLDGKMQSA-N 328.372 1.403 0 40 EDAB CC(C)N(C)[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1Cc1cnn(C)c1 96200947 FSDILFASCOPCST-IXDOHACOSA-N 334.464 1.451 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccncn2)Cc2ncn(CC3CC3)c21 96045094 XQFYASFHTPQBSG-ZDUSSCGKSA-N 327.388 1.469 0 40 EDAB O=C([C@H]1CN(C(=O)N2CCCC2)CC12CCOCC2)N1CCCC1 96052202 RXNGMDQNYDLPMK-OAHLLOKOSA-N 335.448 1.553 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](CO)c2ccccn2)c1 585087832 VPCKYNLGQUBDOE-DYVFJYSZSA-N 328.368 1.901 0 40 EDAB CCN(CC)CCSCC(=O)NCc1nnc2ccc(C)cn12 585088274 SFYGODHXVCGFEI-UHFFFAOYSA-N 335.477 1.729 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)[C@H]1COc3ccc(Cl)cc3C1)CC2 97198071 HGNNOTFZVWKJLT-TZMCWYRMSA-N 346.818 1.922 0 40 EDAB CNC(=O)[C@H]1CCCN(C(=O)NCCC2Cc3ccccc3C2)C1 95440861 VUVZAMKBYNYRCY-KRWDZBQOSA-N 329.444 1.959 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](C)SCC(=O)c2ccccc2)CC1 585118689 YHMVJYGUGRJGSR-ZDUSSCGKSA-N 334.441 1.682 0 40 EDAB CC(C)CCC[C@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@]1(C2)NC(=O)NC1=O 585131818 HCWGDTDSALYFEZ-NMGOSJPMSA-N 335.448 1.942 0 40 EDAB C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)C[C@H]1CN(C)CCO1 585115743 QKXFJDHQFSIJKA-SWLSCSKDSA-N 330.425 1.479 0 40 EDAB Cn1ncc(I)c1CN[C@H]1C[C@H]2CC[C@H]1O2 585137194 LSMIQXNBRUIARD-POZPLHJXSA-N 333.173 1.434 0 40 EDAB COc1ccc([C@H]2Cn3nnc(CN4CCC(N)CC4)c3CO2)cc1 585139448 HZHRIQGFCAVBAU-GOSISDBHSA-N 343.431 1.481 0 40 EDAB CN(C)S(=O)(=O)N1Cc2cccn2[C@H](COc2ccccn2)C1 247953936 NIBFNCHPKREEBZ-AWEZNQCLSA-N 336.417 1.125 0 40 EDAB CCc1cc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)on1 257260005 LAYVTENKRKGLJC-QGZVFWFLSA-N 345.403 1.131 0 40 EDAB COc1ccc([C@@H]2CN(S(=O)(=O)c3cn[nH]c3)CCN2C)cc1 257239492 HPMUSEHXUYJQHI-HNNXBMFYSA-N 336.417 1.096 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@]1(COC)C(N)=S 252515309 IHCOUJQVSNYTIG-NFAWXSAZSA-N 343.470 1.515 0 40 EDAB CCOc1ccccc1-n1nc(C(=O)O)c(N2CCN(C)CC2)n1 256049345 ZLZFFHHMOLEDSE-UHFFFAOYSA-N 331.376 1.116 0 40 EDAB CS(=O)(=O)N1CC[C@@H](CN[C@H]2CCCOc3cc(F)ccc32)C1 252585063 FTGVOAARWLZABV-WFASDCNBSA-N 342.436 1.911 0 40 EDAB C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 85467192 KNDRVRIYHFJTKH-JTQLQIEISA-N 336.816 1.166 0 40 EDAB CCOC(=O)c1c(N)sc2c1CCN(c1nccn3cnnc13)C2 273667283 XEGNRSGPWRDZAQ-UHFFFAOYSA-N 344.400 1.507 0 40 EDAB CO[C@H](C(=O)NC[C@@H]1CN(c2ncc(F)cn2)C[C@H]1C)C1CCC1 1092427038 BELCEISLCNKFLQ-KYOSRNDESA-N 336.411 1.619 0 40 EDAB Cc1cnn(C)c1S(=O)(=O)NC[C@H]1CCN(c2ccccc2)C1 285250962 RZCMUPFRLPFJIC-CQSZACIVSA-N 334.445 1.533 0 40 EDAB CC(C)N1CCN([C@H]2CCN(C(=O)c3nc[nH]c4nccc3-4)C2)CC1 597378486 GOEGOILXBVKRHJ-AWEZNQCLSA-N 342.447 1.150 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CC[C@H]([C@H](F)C(=O)O)C2)cc1C 1614994372 KAVDHJNLRYFXPO-FZMZJTMJSA-N 345.392 1.745 0 40 EDAB COc1ccc(S(=O)(=O)C2CN(C(=O)/C=C/c3ccco3)C2)cc1 96377805 PSCMEWLJEBIHQW-RMKNXTFCSA-N 347.392 1.986 0 40 EDAB Cc1cnc2c(c1)N(C(=O)c1nn(C)cc1Br)CCO2 297581053 CAJMXLJCTBFIEZ-UHFFFAOYSA-N 337.177 1.925 0 40 EDAB COc1nn(C)cc1C(=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575605638 LYOSQPBLPDHZJR-JTQLQIEISA-N 337.767 1.166 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CC(F)(F)C2)C1 575406204 YEWCXHLLZFOPJR-JIMOISOXSA-N 338.358 1.336 0 40 EDAB CC(C)C(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(N)=O)C1 585284733 VOZBQOKKXJDCHT-QGZVFWFLSA-N 338.379 1.334 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)Cc2ccsc2)Cc2cccn2C1 585099099 LZJJWYPMVWAQGF-AWEZNQCLSA-N 331.441 1.887 0 40 EDAB O=C1CCCN1CC[C@@H]1CN(Cc2ccncc2)Cc2ccnn21 585112771 WCVUWPNHALQGOI-QGZVFWFLSA-N 325.416 1.848 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCn2cc(CC(=O)N3CCCC3)nc2[C@H]1C 585097453 KEFCFGBSRRAWFR-UMVBOHGHSA-N 330.432 1.607 0 40 EDAB Fc1cccnc1OC[C@@H]1CCn2nccc2CN1Cc1cn[nH]c1 585098152 VDGKYTXKWSNMMZ-HNNXBMFYSA-N 342.378 1.994 0 40 EDAB Cn1ncc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)c1C(F)F 68111934 WVQHRPYDOKXANQ-VIFPVBQESA-N 346.403 1.788 0 40 EDAB CCn1cnnc1CNC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 48333154 SRJADJFTYNZHSI-HNNXBMFYSA-N 345.403 1.190 0 40 EDAB CCOC(=O)CNC(=O)c1cccc(C)c1I 48797824 FJPXPCDZYWCYKU-UHFFFAOYSA-N 347.152 1.893 0 40 EDAB CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2OC)CC1 58304895 BTVAFPPURQHGPT-UHFFFAOYSA-N 339.823 1.243 0 40 EDAB CO[C@H]1CCN(C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 1565522962 WFKLANSACNAXKD-AWEZNQCLSA-N 342.436 1.700 0 40 EDAB CC(C)CN1CCC(NC(=O)N2CCN(Cc3ccon3)CC2)CC1 76086206 PTBCGEASQSVSKE-UHFFFAOYSA-N 349.479 1.622 0 40 EDAB CC(=O)NCCNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 58250028 QITGBEYVMPWWEL-STQMWFEESA-N 325.206 1.805 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)O)c1 548533048 YKWZAPNWSOYNFC-GXFFZTMASA-N 331.365 1.292 0 40 EDAB Cc1noc(C)c1CCC(=O)N1CC(S(=O)(=O)CC(C)C)C1 96122015 FBENXKLAUNQSNT-UHFFFAOYSA-N 328.434 1.506 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(c2ccc(C3CC3)nn2)C1 827736464 UEKPHOVZGONIJM-CABCVRRESA-N 330.432 1.866 0 40 EDAB Cc1nc(C2CC2)ccc1C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 578114141 GUFZNBOOGCSPAJ-NUJGCVRESA-N 343.427 1.823 0 40 EDAB O=C([C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12)N1CC(O)C1 1772595519 CNGGWPXIFXWWCQ-RYRKJORJSA-N 346.402 1.420 0 40 EDAB COc1ccccc1C[C@@H](C)NC(=O)[C@H](C)N1C(=O)NC(C)(C)C1=O 12196810 MTVGLRMLFFHOTO-NEPJUHHUSA-N 347.415 1.461 0 40 EDAB Cn1ccnc1SCC(=O)NCc1ccc2c(c1)CCC(=O)N2 12428198 CIBNYBJPFJDQCU-UHFFFAOYSA-N 330.413 1.713 0 40 EDAB COc1ccc(S(=O)(=O)NCc2cn(C)nc2C)cc1OC 14249281 VWOFXPQGYYCPGO-UHFFFAOYSA-N 325.390 1.224 0 40 EDAB COc1cccc(CN(C)C(=O)CN2C(=O)c3ccccc3C2=O)c1 14864026 NECOWNLPOZOKSZ-UHFFFAOYSA-N 338.363 1.950 0 40 EDAB Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCc2ccccc21 16249197 CSDOCEYAOUFCEV-UHFFFAOYSA-N 347.421 1.816 0 40 EDAB COc1ccccc1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 17114178 WDFOEFZWTBHUCK-UHFFFAOYSA-N 331.372 1.524 0 40 EDAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccncc1 5687544 KOWQPVLLNNIVFR-UHFFFAOYSA-N 325.368 1.587 0 40 EDAB O=C1CC[C@H](C(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)CN1 1888843469 ZTTPYNPQWPSYJK-JSGCOSHPSA-N 344.415 1.108 0 40 EDAB O=C(c1cc2c(nn1)CCOC2)N1CCN(c2ccccc2F)CC1 1889138776 QOVORFIAEGVONI-UHFFFAOYSA-N 342.374 1.651 0 40 EDAB CC(=O)N1CCC(C(=O)NCc2ccnn2C)(c2ccccc2)CC1 24650399 KPPOUJOHUDAHAN-UHFFFAOYSA-N 340.427 1.617 0 40 EDAB O=C(c1csnn1)N1CCc2ccc(C(=O)N3CCCC3)n2CC1 1565546372 ZJHNJCBRQRRQTD-UHFFFAOYSA-N 345.428 1.274 0 40 EDAB CCS(=O)(=O)NCC1CCN(C(=O)COc2ccccc2)CC1 43956339 HGSGKGHUQGAZIB-UHFFFAOYSA-N 340.445 1.243 0 40 EDAB O=C(NCC1CCN([C@H]2CCOC2)CC1)C(=O)Nc1ccccc1F 575415716 WQGUUECONGVATI-AWEZNQCLSA-N 349.406 1.381 0 40 EDAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3ccoc3)CC2)c1=O 575614752 FLKGQHDXWCXNFY-UHFFFAOYSA-N 344.293 1.671 0 40 EDAB O=c1ccc(-n2cncn2)nn1CC1CCN(CC(F)(F)F)CC1 585500970 USLSFEQZODLREX-UHFFFAOYSA-N 342.325 1.098 0 40 EDAB O=C(C1CN(c2ccncc2Br)C1)N1CCOCC1 2298041223 NYLBDLXRSCUPBH-UHFFFAOYSA-N 326.194 1.139 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)C(=O)NCC1(N(C)C)CCCCC1 40266559 GYEMAMYEFRQNFM-UHFFFAOYSA-N 335.452 1.356 0 40 EDAB CN(Cc1cccs1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 30813352 YFRQUZUQMCPQJK-HNNXBMFYSA-N 342.424 1.827 0 40 EDAB CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 50532414 JGCMIRXXMDSLON-UHFFFAOYSA-N 349.387 1.841 0 40 EDAB C[C@@H]1CCCCN1CCNC(=O)Cn1cnc2ccc(F)cc2c1=O 40535709 TYEUCLCUQOUUIF-CYBMUJFWSA-N 346.406 1.526 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)cc1C 40527160 DFZLBPGGYBOVNQ-ZDUSSCGKSA-N 326.418 1.341 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCCCNC1=O 40521921 KRDPRHUKQZPNSR-AWEZNQCLSA-N 327.384 1.977 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)no1 40553400 UTGVEVNMXRKITR-LBPRGKRZSA-N 337.357 1.149 0 40 EDAB CC(C)N(CCCNC(=O)c1n[nH]c2ccccc12)S(C)(=O)=O 40535323 AYHLEMHLPUTXKH-UHFFFAOYSA-N 338.433 1.353 0 40 EDAB O=C(CS(=O)(=O)c1ccc(F)c(Cl)c1)NC[C@@H]1CCCO1 40540029 HODIUWKOLHCWPU-VIFPVBQESA-N 335.784 1.548 0 40 EDAB O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 40534545 SDTMUVJSFRMFQI-QMMMGPOBSA-N 338.307 1.396 0 40 EDAB C[C@@H](CNC(=O)c1cccnc1OCC(F)(F)F)N1CCOCC1 40509807 HIORCFVATHJYNT-NSHDSACASA-N 347.337 1.473 0 40 EDAB CCCS(=O)(=O)NC1CCN(C(=O)NCc2ccccc2)CC1 32912688 WHHYBMDJXAHEFQ-UHFFFAOYSA-N 339.461 1.690 0 40 EDAB CCc1ccc(N2C(=O)C[C@H](N(C[C@@H]3CCCO3)C(C)=O)C2=O)cc1 102846723 BUKSCZWLIYBZFU-IRXDYDNUSA-N 344.411 1.908 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)CCn1cncn1)N1CCCC1 41949709 LPFWSHZGFSAXPM-MRXNPFEDSA-N 343.431 1.630 0 40 EDAB O=C(NCCc1nnc2n1CCC2)c1cc(Cl)c2c(c1)OCO2 42502756 PVELRCMCDZBNIZ-UHFFFAOYSA-N 334.763 1.579 0 40 EDAB CS(=O)(=O)CCN1CCCN(C(=O)CCc2ccccc2)CC1 83033014 NKVJQRNASWSQBK-UHFFFAOYSA-N 338.473 1.198 0 40 EDAB O=C(c1cc(-c2ccccc2)no1)N1CCC(N2CCNC2=O)CC1 54605082 PLTKTCOWLWJZLB-UHFFFAOYSA-N 340.383 1.971 0 40 EDAB O=C1Cc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2N1 61720098 IKEPQFVHSAKJMK-UHFFFAOYSA-N 328.393 1.928 0 40 EDAB COc1ccnc(N2CCN(C(=O)COc3ccccc3)CC2)n1 47693951 RQRJOWILVJCNLB-UHFFFAOYSA-N 328.372 1.213 0 40 EDAB CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H]1c1ccc(F)cc1 79018061 ICWABHUZCGPURE-CQSZACIVSA-N 328.409 1.771 0 40 EDAB O=C(NC[C@H](c1cccs1)N1CCOCC1)NCC(F)(F)F 47742614 MWGNSGZDJJTAFM-SNVBAGLBSA-N 337.367 1.983 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cccn1)N1CCO[C@@H]2CCCC[C@H]21 106783894 MSNPUXFXFKMCNP-KZNAEPCWSA-N 346.475 1.908 0 40 EDAB CCN(CC)CCn1/c(=N/C(=O)c2cnsn2)[nH]c2ccccc21 47827288 ZWBGKRZVFXBQAJ-UHFFFAOYSA-N 344.444 1.904 0 40 EDAB C[C@H]1CN(C(=O)CCNC(=O)c2ccc(F)cc2F)C[C@@H](C)O1 25130896 RLBMWBOOJMZLFH-PHIMTYICSA-N 326.343 1.721 0 40 EDAB CN(c1ccccc1)c1ccc(CNC(=O)Cn2cnnn2)cc1F 55917533 WATCZWRVLJVOCV-UHFFFAOYSA-N 340.362 1.897 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)s1 6680042 SVOXATKJIFIENL-IUCAKERBSA-N 332.447 1.214 0 40 EDAB COc1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1Br 34994440 BVZZDASFRMDKCV-JTQLQIEISA-N 334.235 1.734 0 40 EDAB CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 7248579 CIHYCVUJKPLIEH-AWEZNQCLSA-N 345.486 1.891 0 40 EDAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)NCC(=O)N1CCCC1 56322108 ZLXXNHYDQITJBB-AAEUAGOBSA-N 347.390 1.772 0 40 EDAB O=C(c1ccccc1)N1CCN(Cn2cnc3ccccc3c2=O)CC1 25747467 BOZHLQMUBJVJQG-UHFFFAOYSA-N 348.406 1.812 0 40 EDAB COc1cc(CNn2nnnc2N)ccc1OCc1ccc(C)cc1 7601184 DMKRKKPEMWCFFP-UHFFFAOYSA-N 340.387 1.895 0 40 EDAB Cn1cc(CCC(=O)N2CCC(c3nnc4n3CCC4)CC2)cn1 57146404 WATHPXCULAJKSX-UHFFFAOYSA-N 328.420 1.297 0 40 EDAB O=C(Cc1ccn[nH]1)N1CCc2c(ncn2CCc2ccccc2)C1 95987007 DSIZZFYEWUZBMQ-UHFFFAOYSA-N 335.411 1.976 0 40 EDAB CCn1c(=O)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccc(F)cc3)nc21 8345982 AXRWJFDKFRPFML-UHFFFAOYSA-N 343.314 1.697 0 40 EDAB Cc1cccc(-n2c(O)nc3nc(-n4ccnc4)ncc3c2=O)c1C 57351997 PAUILBTTZASLPR-UHFFFAOYSA-N 334.339 1.684 0 40 EDAB CCc1nnsc1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 97143733 AEOOVJRSCIZCTH-UHFFFAOYSA-N 328.401 1.858 0 40 EDAB C[C@H](C[S@](C)=O)NC(=O)N1CCN([C@H](C)c2ccsc2)CC1 108475124 PURUXIIKYBLYBC-GIYNXVAASA-N 343.518 1.903 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Cn2ccc(=O)[nH]c2=O)C2CC2)o1 27277779 VMHWGOMXEPKBDV-BXUZGUMPSA-N 343.383 1.444 0 40 EDAB O=C(CN1CCN(c2cnccn2)CC1)NCc1ccc(F)cc1 95947299 GNSNLVVWHBMOSN-UHFFFAOYSA-N 329.379 1.054 0 40 EDAB O=C(OCCn1cncn1)c1ccc(S(=O)(=O)C(F)F)cc1 58245255 SZBOXGIUQHPHOY-UHFFFAOYSA-N 331.300 1.131 0 40 EDAB CN1CCC[C@H]1CNC(=O)c1nnn(-c2ccccc2)c1C1CC1 58268257 KHFSOYXFHAUFMF-HNNXBMFYSA-N 325.416 1.969 0 40 EDAB Cc1cccc(-c2noc(CS(=O)(=O)CC(=O)N3CCCC3)n2)c1 44938844 OMRGRPLVMQWPNB-UHFFFAOYSA-N 349.412 1.582 0 40 EDAB C[C@H](NC(=O)CN1C(=O)COc2ccc(Cl)cc21)[C@@H]1CCCO1 27889585 NTIWXBVJQGOEBW-GWCFXTLKSA-N 338.791 1.749 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2nnc3n2CCCC3)c1 58357284 UYVUXSFVYCQEMF-ZDUSSCGKSA-N 342.399 1.901 0 40 EDAB CC1CCN([C@@H](C)CNC(=O)c2cccc(-n3cnnn3)c2)CC1 58342177 UWZDUALBGVXUNM-AWEZNQCLSA-N 328.420 1.513 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N(C)C[C@@H]2CCCO2)C1=O 58963525 XVZMTBQLVLBLFE-KBPBESRZSA-N 332.400 1.828 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)c1 95943744 BNWPBHBLVHYBBD-MRXNPFEDSA-N 343.445 1.674 0 40 EDAB CCCc1cc(=O)[nH]c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)n1 11443717 WXDYDVSCUNZDEL-GHMZBOCLSA-N 325.434 1.450 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)c1cc(=O)[nH]c2ccccc12 45827667 UMBUSMDDPMPOPR-UHFFFAOYSA-N 337.383 1.776 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)N(C)C[C@H]1COc2ccccc2O1 46480228 PPDQQAWGKCGRLF-GJZGRUSLSA-N 349.431 1.189 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)c2ccc(N(C)C)nc2)CC1 47091835 MULAGABSWWCFDF-UHFFFAOYSA-N 343.431 1.710 0 40 EDAB O=C(NCCn1cnc2ccccc21)[C@@H](c1ccccc1)n1cnnn1 95479051 MRENYUPSTNCTGT-QGZVFWFLSA-N 347.382 1.429 0 40 EDAB CC(C)[C@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O 12602850 NUWSBEPBAXVHOS-GFCCVEGCSA-N 327.743 1.994 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCCC[C@@H]2C(N)=O)c1C 12613328 TZDWNQWKDDLCIN-QWHCGFSZSA-N 349.431 1.719 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cn1 48288686 LBAKSPOBGYXEJT-UHFFFAOYSA-N 349.368 1.536 0 40 EDAB CC(=O)NCCNC(=O)CN1CCc2cc(Br)ccc21 49323005 SYCORPYZJCHRQG-UHFFFAOYSA-N 340.221 1.064 0 40 EDAB Cc1nc([C@@H]2COCCN2S(=O)(=O)c2ccccc2Cl)no1 96000552 BAFIWUURTUQNGP-NSHDSACASA-N 343.792 1.794 0 40 EDAB CC(C)N1CCOC[C@]2(CC[C@H](CNC(=O)c3cscn3)O2)C1 306123204 AHFQDTAWPLHKRF-CJNGLKHVSA-N 339.461 1.531 0 40 EDAB CCOC(=O)c1cccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 4392619 KJRQHZZEUMKZNZ-LLVKDONJSA-N 325.386 1.627 0 40 EDAB CCS(=O)(=O)CCNC(=O)Cn1ccc2ccc(Cl)cc21 65476429 MIXRGVWINHCMRB-UHFFFAOYSA-N 328.821 1.846 0 40 EDAB Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)CC(C)(C)C 65495212 XSGULBNEVOFDDB-UHFFFAOYSA-N 335.496 1.923 0 40 EDAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(F)cc1F 6354574 KPRCVEDWYVCMRP-UHFFFAOYSA-N 340.307 1.921 0 40 EDAB CNC(=O)c1noc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)n1 71551714 BWMVSBSLYRGADS-LBPRGKRZSA-N 336.779 1.656 0 40 EDAB Cc1nn(C)c(N(C)C)c1CN[C@@H](C(=O)N(C)C)c1ccccc1 65539100 WOAMFARLOQZFSI-MRXNPFEDSA-N 329.448 1.714 0 40 EDAB O=C(Nc1nc2c(OC(F)F)cccc2s1)c1n[nH]c(O)n1 95351489 HSCSFKXHDVVTAV-UHFFFAOYSA-N 327.272 1.974 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)C(N)=O 6664126 HKCORYUHMSHZMT-CABZTGNLSA-N 326.780 1.511 0 40 EDAB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccon1 14731871 AUIHXPPKMANSJW-UHFFFAOYSA-N 330.369 1.964 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1N=CC[C@@]1(O)C(F)(F)F 5603270 NKCXAIDBWAPREB-MRVPVSSYSA-N 330.188 1.371 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)s1 9497882 XZGWTEGHFPTYAK-UHFFFAOYSA-N 328.459 1.690 0 40 EDAB CCOC(=O)CN(Cc1ccccc1)C(=O)C1=NN(C)C(=O)CC1 67113091 KXQCGCZYLDNYJS-UHFFFAOYSA-N 331.372 1.187 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 15323111 WYXQZQRAWRSYOF-LLVKDONJSA-N 340.426 1.374 0 40 EDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCNC(=O)OC(C)(C)C)C1 67435246 HFISSACNUCGBFK-RYUDHWBXSA-N 335.470 1.323 0 40 EDAB COCc1ccc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)o1 67641786 ZRIGSDIJKNBMQW-UHFFFAOYSA-N 329.356 1.546 0 40 EDAB CCOc1ncccc1C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 95402013 JXWLXSXLLMEREC-INIZCTEOSA-N 346.475 1.722 0 40 EDAB O=C(NCCNc1ncccn1)[C@H]1CSCN1C(=O)C1CCCC1 68421033 RRQSDMCMQATVCA-CYBMUJFWSA-N 349.460 1.096 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(N2CCOCC2)c1 68546184 SNGAKZJGSMXNQD-UONOGXRCSA-N 348.447 1.948 0 40 EDAB Cc1cccc2nc(CNC(=O)CCNC(=O)c3ccco3)cn12 68571493 JQKXOEPKUUCJLO-UHFFFAOYSA-N 326.356 1.672 0 40 EDAB CS(=O)(=O)CCN1CCC(Nc2ncnc3ccsc23)CC1 68766836 NCNAFYLCESRAQU-UHFFFAOYSA-N 340.474 1.612 0 40 EDAB O=C(Cn1cnnn1)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 91060076 LFQQCXSJTLIQGP-AAEUAGOBSA-N 325.731 1.112 0 40 EDAB O=C(CN1CCCC[C@H]1Cn1cncn1)Nc1ccc(Cl)cn1 71876224 YHOQRQIQDVEJAO-ZDUSSCGKSA-N 334.811 1.820 0 40 EDAB Cc1ccc(NC(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1 8191370 ATHKXAMOESMYBN-HNNXBMFYSA-N 339.461 1.578 0 40 EDAB O=C1NCCN1[C@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 71830546 WWDHGIKDGRZULF-HNNXBMFYSA-N 341.415 1.650 0 40 EDAB Cc1cc(C)cc(OCCCN2C(=O)N(CC(N)=O)C(C)(C)C2=O)c1 70039865 RFFAHMQOVAMEFE-UHFFFAOYSA-N 347.415 1.600 0 40 EDAB COC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(SC)cc1 70003862 ICKWCIXJIYNGNZ-STQMWFEESA-N 336.413 1.408 0 40 EDAB COCCOc1nc(C(=O)N2CC[C@H](C(N)=O)C2)cc2ccccc12 71839338 UMIKXICOOCLVSF-ZDUSSCGKSA-N 343.383 1.207 0 40 EDAB CCc1ccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)o1 71889048 JWZZSGSLHGCVHE-UHFFFAOYSA-N 329.356 1.700 0 40 EDAB O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(Nc2cccnn2)CC1 71863365 OBOXOMUGDFOKMU-UHFFFAOYSA-N 338.371 1.363 0 40 EDAB Cc1nc(CCC(=O)NN2CC(=O)NC2=O)oc1-c1ccccc1 71883630 IYXHMGUURCLCJU-UHFFFAOYSA-N 328.328 1.166 0 40 EDAB Cc1noc(C)c1CN1CCN(c2ccc3nncn3n2)[C@H](C)C1 69490708 IBOJDDCCVALCCO-LLVKDONJSA-N 327.392 1.440 0 40 EDAB Cc1ccc(N2CCC[C@@H](N(C)Cc3nnc(C4CC4)n3C)C2)nn1 71859827 LZFXURLGQCLRKZ-OAHLLOKOSA-N 341.463 1.892 0 40 EDAB O=C(NC1CC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 17116551 VEIKZNUNXFBUHS-UHFFFAOYSA-N 327.381 1.004 0 40 EDAB CCCCN(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)COc1ccccc1 71921243 ZBRVWHXSBHQPMM-HOCLYGCPSA-N 334.416 1.286 0 40 EDAB CCc1cc(N2CCC(NCCO)CC2)nc(-c2ccncc2)n1 89282925 TYMOTPMYFFCFIS-UHFFFAOYSA-N 327.432 1.652 0 40 EDAB O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)NCc1ccco1 69652335 OKJDYWUWUSYJJW-GOSISDBHSA-N 343.427 1.247 0 40 EDAB Cc1cc(CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)ccc1F 21067933 SGPCVHKKDIUZCH-UHFFFAOYSA-N 344.342 1.909 0 40 EDAB C[C@H]1CN([C@@H](C)C(=O)NCc2ccco2)CCN1Cc1nccn1C 69626585 ZYBKSJZUTFTQPA-GJZGRUSLSA-N 345.447 1.224 0 40 EDAB O=C(C[C@@H]1CCCO1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 69658666 QFJUTVMEIHQSBP-DLBZAZTESA-N 330.428 1.905 0 40 EDAB CC1CCN([C@H](C)CNC(=O)N2CCN(c3cnn(C)c3)CC2)CC1 74867603 YEDPPXVYSNQEBG-MRXNPFEDSA-N 348.495 1.372 0 40 EDAB CC(C)CNC(=O)NC(=O)CSc1nc(N)c2ccsc2n1 9750208 AUTATVHVIWGXAG-UHFFFAOYSA-N 339.446 1.847 0 40 EDAB Cc1ccc(C[C@H]2CCCN(C[C@H](O)CN3CCOCC3)C2)cc1 84148788 RNWZTTWZTAVKPY-WOJBJXKFSA-N 332.488 1.943 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CN1Cc1ccco1 72283077 YCUKZIPCAFFOPG-KBPBESRZSA-N 342.399 1.757 0 40 EDAB Cc1ccncc1NC(=O)C(=O)NCc1cccc(-n2cccn2)c1 72287213 ZTTWGDKNBRXYDN-UHFFFAOYSA-N 335.367 1.831 0 40 EDAB Cc1cc(C)n(-c2cncc(N(CCN(C)C)C[C@H]3CCCO3)n2)n1 72283107 DYVXUTIHSWXJBN-MRXNPFEDSA-N 344.463 1.826 0 40 EDAB C[C@H]1CCc2c(C(=O)N3CC[C@@]4(C3)NC(=O)NC4=O)csc2C1 72290734 WZWIBGGOMYEXTG-FVMDXXJSSA-N 333.413 1.297 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccccc1N1CCOCC1)C2 72279079 NLJNEJJNRMPRRD-HNNXBMFYSA-N 340.427 1.773 0 40 EDAB NC(=O)[C@H](NC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccccc1 75124885 HLNACPQNNICROC-OAHLLOKOSA-N 337.335 1.591 0 40 EDAB O=C(NCc1nnc2n1CCCC2)c1cc(-c2cccs2)n[nH]1 75403576 QGIXHEXUUFLBMU-UHFFFAOYSA-N 328.401 1.996 0 40 EDAB COc1cc(CN(C)[C@H]2CS(=O)(=O)C[C@@H]2O)ccc1SC 75582076 GHAHXOWAMMWHFF-RYUDHWBXSA-N 331.459 1.007 0 40 EDAB CC(=O)N1CCC(NC(=O)NC[C@H](c2cccs2)N(C)C)CC1 47832145 WHJUYDLUYIHGPL-CQSZACIVSA-N 338.477 1.661 0 40 EDAB Cn1nccc1C[C@@H]1CCCN1C(=O)NCC1(N2CCOCC2)CC1 1548554090 QRQICWXVFGFRGZ-INIZCTEOSA-N 347.463 1.001 0 40 EDAB COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCOCC1 26438615 TVFSFARUSOKDBU-OAHLLOKOSA-N 331.420 1.858 0 40 EDAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1nccs1 20734850 BXZXOMJJLDKSSK-CABZTGNLSA-N 333.369 1.426 0 40 EDAB O=C1Cc2cc(C(=O)N3CCN(c4nccs4)CC3)ccc2N1 69445231 YXMSXOXOYXGUNM-UHFFFAOYSA-N 328.397 1.600 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2cnc(N(C)C)c3ccccc23)CCO1 1553068016 KEVJDLRVWGDEBF-INIZCTEOSA-N 328.416 1.248 0 40 EDAB COc1cc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc2c1OCO2 524729281 MHCWPRAKMYFWIF-NSHDSACASA-N 343.335 1.872 0 40 EDAB biogenic COc1ccccc1OCC(=O)Nc1nn(C)c2c1[C@H](C)CC(=O)N2 35597801 BOLWLJJWHIOZSN-SNVBAGLBSA-N 344.371 1.892 0 40 EDAB COCCn1c(=O)c2sccc2n2c(CCCC(=O)O)nnc12 71328565 VACMVCBNOVIQGT-UHFFFAOYSA-N 336.373 1.159 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)NCCNC(=O)COc1ccccc1 43041521 ZHPICWNXCPZARK-NSHDSACASA-N 348.321 1.265 0 40 EDAB Cn1nc(C(=O)NCC2(c3cccs3)CCOCC2)ccc1=O 49521357 GOWMWUVOTVENJZ-UHFFFAOYSA-N 333.413 1.320 0 40 EDAB CSCCCNC(=O)N1CCC(CN2CCN(C)CC2)CC1 192185319 YRPXPTWSEAOBSX-UHFFFAOYSA-N 328.526 1.409 0 40 EDAB C[C@@]1(Br)C[C@@H]1C(=O)N1CCC[C@H](CN2CCOCC2)C1 529293132 OGBFWXVGXXXIMF-UMVBOHGHSA-N 345.281 1.731 0 40 EDAB CCOC(=O)c1cc(C(C)=O)nn(-c2ccc(OC)c(OC)c2)c1=O 225967662 IVOWRXZLOFLQER-UHFFFAOYSA-N 346.339 1.629 0 40 EDAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(N)(=O)=O 223038378 LSKKXABRVVMMNK-UHFFFAOYSA-N 334.397 1.615 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccc3)C2)nn1 225434727 IVOVHMUFMHLJPH-UKRRQHHQSA-N 343.383 1.932 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1)c1cccnc1 237415324 YMTWPWOAYKHQSG-UXLLHSPISA-N 344.459 1.292 0 40 EDAB COCCn1ccc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc21 95472237 QJJVBKQZSZVGBW-AWEZNQCLSA-N 336.413 1.205 0 40 EDAB CC1CCN(C[C@H](O)CN(C)S(=O)(=O)c2cccs2)CC1 95438722 YRBPDCMKBSPIKR-CYBMUJFWSA-N 332.491 1.461 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc21)N1CCCN(C(=O)C2CC2)CC1 97103021 YPZAGEIVUVHQMG-INIZCTEOSA-N 327.428 1.980 0 40 EDAB CN1CC[C@H](NC(=O)CCc2ccc(Br)cc2)C1=O 96451336 CWPYOGHAWUINPJ-LBPRGKRZSA-N 325.206 1.729 0 40 EDAB CCOc1ccc(S(=O)(=O)NCc2cccc(C(=O)O)c2)cn1 583059794 CIIMCENRVGQUGR-UHFFFAOYSA-N 336.369 1.657 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N1CCOC[C@H]1c1ccccc1 96433040 AAPLMXCVHDTTRU-SFHVURJKSA-N 349.390 1.997 0 40 EDAB CC1CCC(O)(CN2CCN(CCNC(=O)C3CCC3)CC2)CC1 96424696 BLNUYLNGLMQNRO-UHFFFAOYSA-N 337.508 1.462 0 40 EDAB COCC(=O)N1CCOC[C@]2(CN(Cc3cccs3)C[C@H]2C)C1 96202401 QMTJOQLVNUQXQY-PBHICJAKSA-N 338.473 1.691 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96206828 HEAFLHDBMTUSGL-CQSZACIVSA-N 326.418 1.181 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 96181098 HOBRXRRRTPMWKR-BLLLJJGKSA-N 346.456 1.934 0 40 EDAB Cc1ccc(CN2CCOC[C@@]3(C2)CN(c2ccoc2)C(=O)CO3)o1 96051398 MOIVJNIRGWUFHT-GOSISDBHSA-N 346.383 1.815 0 40 EDAB Cc1nccc(NCc2cncc3c2CCN(S(C)(=O)=O)C3)n1 96067468 LTLPXPOKTLCCBZ-UHFFFAOYSA-N 333.417 1.110 0 40 EDAB CNC(=O)CN1CCCC[C@@H]1c1csc(Nc2cnccn2)n1 257202977 AODMKBLEIMIWIZ-GFCCVEGCSA-N 332.433 1.950 0 40 EDAB C[C@@H]1CO[C@@H](CO)CN1C[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1 585117283 XIKCUOGMKKVVOH-KCPJHIHWSA-N 340.807 1.747 0 40 EDAB COC(=O)[C@H]1CC12CCN(S(=O)(=O)C[C@@H](OC)C1CCC1)CC2 585115812 UJBWRPOWLYFXQX-ZIAGYGMSSA-N 345.461 1.406 0 40 EDAB Cc1nc2ccc(C(=O)N[C@@H]3CC[C@@H](n4ccnc4C)[C@@H]3O)cc2[nH]1 257271015 MWMMGPQNSDAQQB-DJIMGWMZSA-N 339.399 1.871 0 40 EDAB COCC(=O)N1CCC[C@](CCCc2ccncc2)(C(=O)N(C)C)C1 257305501 SQHWASWWICPHML-IBGZPJMESA-N 347.459 1.748 0 40 EDAB Cc1nn(C)cc1C(=O)N(C)C[C@]1(O)CCCN(c2ccccn2)C1 257314304 UWIIOUNWBJUASW-GOSISDBHSA-N 343.431 1.227 0 40 EDAB Cc1cc(C(=O)N(C)C[C@H]2COc3ccccc3O2)n2nccc2n1 257246367 ITULMWRARVWYAU-ZDUSSCGKSA-N 338.367 1.950 0 40 EDAB Cc1ccnc([C@@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1 257327386 XBDFHALYSMYVOS-AWEZNQCLSA-N 332.404 1.088 0 40 EDAB Cn1nc(C(=O)N2CCO[C@H](c3cnccn3)C2)cc1C(F)(F)F 257302486 SDCIJYOBJKBCSX-NSHDSACASA-N 341.293 1.443 0 40 EDAB Cc1cc(C(=O)N2CC3(C2)OCC[C@H]3COCc2ccncc2)no1 253476590 AGVCSZJQCDZBCJ-HNNXBMFYSA-N 343.383 1.826 0 40 EDAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)COc2ccc(F)cc2)[C@H]1O 257325611 WTRUMHYBQPJUNE-JFIYKMOQSA-N 347.390 1.980 0 40 EDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2cnccn2)n1 257299904 RSCURIGGNYWSNL-MRXNPFEDSA-N 325.372 1.485 0 40 EDAB COCC(=O)N1CCC(Cc2cncc(-c3cc(C)n[nH]3)n2)CC1 257309570 UBKZHOAVAASEGD-UHFFFAOYSA-N 329.404 1.603 0 40 EDAB C[C@H](C(=O)N1CCCc2c(OCC(N)=O)cccc21)c1cnn(C)c1 1615589676 FWMOBGJXRVPXQK-LBPRGKRZSA-N 342.399 1.367 0 40 EDAB CN(CCc1nccc(O)n1)C(=O)c1ccc(N2CCOCC2)cc1 1615545523 AMZVJKALCHWUHN-UHFFFAOYSA-N 342.399 1.334 0 40 EDAB COc1nn2cc(Br)cnc2c1CN(C)CC[C@H](C)O 1616037626 DFSOLVKZMSMJIM-VIFPVBQESA-N 343.225 1.703 0 40 EDAB O=C([C@H]1CCOC1)N1CCC2(CCCN(c3ncccn3)C2)CC1 96158559 IOARFWKQQYXGTQ-HNNXBMFYSA-N 330.432 1.722 0 40 EDAB O=S(=O)(c1ccccc1F)N1CC[C@@H](Oc2ncc(F)cn2)C1 390827421 GZZIICFJUDZPCE-LLVKDONJSA-N 341.339 1.597 0 40 EDAB CNC(=O)CCOc1ccc(NC(=O)NC2(COC)CCC2)cc1 390835318 KMGAAPBROPRILR-UHFFFAOYSA-N 335.404 1.892 0 40 EDAB CNC(=O)c1cc(Oc2ccccc2NC(=O)CN(C)C)ccn1 390835485 OPCXMUFNGQDBFV-UHFFFAOYSA-N 328.372 1.734 0 40 EDAB CCn1cncc1CN1CCOC[C@@](O)(COc2ccccc2C)C1 585277745 XNJAQJSKDIPDJR-LJQANCHMSA-N 345.443 1.854 0 40 EDAB O=C(c1ccnc(F)c1)N1CC[C@@H]2[C@@H](CO[C@H]2CN2CCOCC2)C1 585108073 NXRAJJMTRBESIU-OAGGEKHMSA-N 349.406 1.030 0 40 EDAB CN(C)C/C=C/C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 585289266 HAXQIMOXNMPFAD-FAMACXKFSA-N 333.432 1.319 0 40 EDAB CCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4ccc(C)o4)CC3)[C@H]2C1 585106014 DUBMKPCJJYRBEI-CABCVRRESA-N 345.443 1.651 0 40 EDAB COC[C@H]1CCn2nccc2CN1S(=O)(=O)c1ccc(C)cc1 585096707 AUHKZGKRGDVNHE-OAHLLOKOSA-N 335.429 1.801 0 40 EDAB O=C(c1ccncn1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 585268814 AGNJRBAUNZFLFO-KRWDZBQOSA-N 331.347 1.662 0 40 EDAB COCC(=O)N1CCN(Cn2nc(C)c(Br)c2C)CC1 68614559 YWTUMPJWPFNZRU-UHFFFAOYSA-N 345.241 1.011 0 40 EDAB CC(C)NC(=O)CN(C)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 78602981 IOMGKCDDVCGKIQ-CYBMUJFWSA-N 341.477 1.061 0 40 EDAB Cc1cc2c(cc1C)O[C@H](C(=O)N1C[C@@H](N3CCOCC3)[C@H](C)C1)C2 76053006 AFZYWTKHTICTDQ-SUMDDJOVSA-N 344.455 1.786 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(Cc2cccc(-c3ccccn3)c2)C1 93531257 RSXOYXRJVMQSNK-INIZCTEOSA-N 331.441 1.872 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c(C)n1C(C)C 42071240 SFSBHFZBUPXIDR-CQSZACIVSA-N 341.477 1.840 0 40 EDAB CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1CC(=O)NCc1ccco1 5414056 RLRJRNBAEBGYOZ-STQMWFEESA-N 328.434 1.594 0 40 EDAB biogenic,in-vitro COC(=O)/C=C1\N=C(Nc2nc(C)c3ccc(C)cc3n2)NC1=O 5969677 KFZPYFWORHRWKM-GHXNOFRVSA-N 325.328 1.201 0 40 EDAB CNc1cc([C@H]2CCCNC2)nc(CN(C)C(=O)COC(C)C)n1 19709997 YGMAXTSANWAXRU-ZDUSSCGKSA-N 335.452 1.369 0 40 EDAB C=CCc1cc(/C=C2\C(=O)NC(=O)N(CC=C)C2=O)cc(OC)c1O 8108898 XRNUKDYLIYLSFM-UKTHLTGXSA-N 342.351 1.777 0 40 EDAB Cc1cc(N(C)C)nc(N2CCC(C(=O)NCc3ccco3)CC2)n1 35315769 IZRWQHCSTLZFKU-UHFFFAOYSA-N 343.431 1.977 0 40 EDAB CCc1nc(CN2CCN(C(=O)CCc3cccs3)CC2)no1 78777125 DNQMKZQIFJWFMV-UHFFFAOYSA-N 334.445 1.971 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220919266 CPAVZXHPIDHTHI-LBPRGKRZSA-N 348.428 1.715 0 40 EDAB Cn1cccc(C(=O)NCC2CCN([C@H]3CCSC3)CC2)c1=O 225567687 RSQQKCSYKFORKZ-AWEZNQCLSA-N 335.473 1.333 0 40 EDAB CCc1ccccc1S(=O)(=O)NCc1nc([C@H]2CCOC2)n[nH]1 585138110 OMDNZKHGFYQUDQ-LBPRGKRZSA-N 336.417 1.350 0 40 EDAB N#Cc1ccccc1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 5166060 WZHGABJXCOXCNT-UHFFFAOYSA-N 348.318 1.590 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)N1CCN(c2nccs2)CC1 22181564 SHPLKSBVKIDSKD-UHFFFAOYSA-N 340.449 1.707 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2ccc(-n3cncn3)cc2)CC1 24154880 IUTNKIZICDXLPD-UHFFFAOYSA-N 328.372 1.683 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2csc3c2CC[C@@H](C)C3)CC1 25234285 KVPFKRGFKWBJSG-GFCCVEGCSA-N 349.500 1.813 0 40 EDAB O=C1CO[C@@H]2[C@@H](c3ccc(F)cc3)CN(C(=O)CC3CCC3)[C@@H]2CN1 2037984085 PNLSUMKIGRWCGU-GPMSIDNRSA-N 346.402 1.825 0 40 EDAB Cc1cccnc1C(=O)N1CC2(C[C@@H](N3CCOCC3)CS2)C1 2056223977 JNKOJKKDHAMEQI-CQSZACIVSA-N 333.457 1.422 0 40 EDAB COc1cc(C(=O)N2CC[C@H]3CN(Cc4cccnc4)C[C@H]32)on1 1075712512 WYEYRRACQFFVEN-UONOGXRCSA-N 328.372 1.425 0 40 EDAB O=C(Cc1ccc(F)cn1)N1CCC[C@@]2(C[C@@H](n3ccnc3)CO2)C1 1565549489 XXRMETLJVZFDOP-SJLPKXTDSA-N 344.390 1.983 0 40 EDAB CNC(=O)Cn1nc(-c2ccc(F)cc2)c2sc(C)nc2c1=O 8955557 XVYPCVRKNAJCJM-UHFFFAOYSA-N 332.360 1.714 0 40 EDAB CCCCN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)N1CCCC1)C2 2055713388 INILYOCVIYTUJP-CQSZACIVSA-N 332.448 1.940 0 40 EDAB Cc1ncoc1C(=O)N[C@@H]1CCc2onc(CN3CCCC3)c2C1 2055730110 AZLRMZQSRWMKOW-GFCCVEGCSA-N 330.388 1.854 0 40 EDAB Cc1ccnc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2086881872 RWEAUHPPISWBGB-LBPRGKRZSA-N 326.347 1.248 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CC(n3cc(C4CC4)nn3)C2)c1 575615902 IZHKMZWRMBJPLC-UHFFFAOYSA-N 346.412 1.604 0 40 EDAB CN1c2ccc(F)cc2N(CCNC(=O)c2ccoc2)S1(=O)=O 575613874 XHFHJLXZQASLRR-UHFFFAOYSA-N 339.348 1.350 0 40 EDAB O=c1ccc(-c2cccnc2)nn1CC1CN([C@H]2CCC[C@H]2O)C1 585606369 WPIPXVDMCIVMSV-DLBZAZTESA-N 326.400 1.151 0 40 EDAB CCN1CCC2(CC1)CN(C(=O)[C@@H](C)N)Cc1cc(C)ccc1O2 12365626 BVSHBPKPMHEKMT-OAHLLOKOSA-N 331.460 1.918 0 40 EDAB CC(=O)CC(C)(C)NC(=O)CCN1CCN(C(=O)c2ccco2)CC1 40460678 JYCWCERDEISSSS-UHFFFAOYSA-N 349.431 1.301 0 40 EDAB CCOC(=O)C1=C(Cn2ccnc2)NC(=O)N[C@H]1c1ccc(C)o1 40494240 MUSFXVQLWXMMCT-AWEZNQCLSA-N 330.344 1.656 0 40 EDAB C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CCc2cncnc2C1 100882267 JUTYTPZCOAFJPS-UGVXJAHZSA-N 326.404 1.063 0 40 EDAB CN(C)c1ccc(CNC(=O)NCc2ccc3c(c2)OCO3)cn1 40511865 ZJJFJQUYHITAIA-UHFFFAOYSA-N 328.372 1.876 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2cn(-c3ccccc3)nn2)n1 40508687 QQGRPSQXNUWVJN-UHFFFAOYSA-N 328.357 1.004 0 40 EDAB O=C(Cc1ccc(Br)cc1)N[C@H]1CCCCNC1=O 40521863 BTSAJYWTYPJORV-LBPRGKRZSA-N 325.206 1.777 0 40 EDAB Cc1ccc(-c2cc(C(=O)NCCN3C(=O)CSC3=O)[nH]n2)cc1 40554808 XNFSTIREHLZMBK-UHFFFAOYSA-N 344.396 1.810 0 40 EDAB C[C@H](CNS(=O)(=O)C1=Cc2ccccc2CC1)N1CCOCC1 40510292 WWLQOIRNDGZESL-CQSZACIVSA-N 336.457 1.614 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccccc2)C1 220777 ZSMIMNMRJQBZKL-MRXNPFEDSA-N 338.473 1.797 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)NCCc1cccc(F)c1 32213891 UJFQSLDMXBNIEB-UHFFFAOYSA-N 340.358 1.680 0 40 EDAB C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@@H](C(N)=O)C1 32773974 WFTSVUYJZDDOQU-GHMZBOCLSA-N 341.358 1.812 0 40 EDAB Cn1nc(C(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1=O 32769038 CXQOFNSADGMUON-UHFFFAOYSA-N 340.427 1.696 0 40 EDAB O=C(NCc1nnc2ccccn12)c1ccn(-c2ccc(F)cc2)n1 32702497 PHGOIOJCERMUAF-UHFFFAOYSA-N 336.330 1.984 0 40 EDAB Cc1ccc(-n2nc(C)c(C(=O)N3CC[C@H](C(N)=O)C3)n2)c(C)c1 41128269 VWTBXMGMFJUACR-ZDUSSCGKSA-N 327.388 1.140 0 40 EDAB O=C(COc1ccc(Cl)cc1)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 32848182 REYZIUYXOSRHKK-UHFFFAOYSA-N 345.742 1.887 0 40 EDAB Nc1nccnc1C(=O)NCc1ccnc(OCc2ccccc2)c1 32931436 OEOHOYISBRPQDF-UHFFFAOYSA-N 335.367 1.963 0 40 EDAB C[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1ccc(-n2cncn2)cc1 32902515 DQFKEAZHLKHXCF-QWHCGFSZSA-N 343.431 1.995 0 40 EDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 52781804 YRBBDKBIVRYUMA-GFCCVEGCSA-N 329.422 1.001 0 40 EDAB CCCCn1nc(C(=O)NC[C@H]2CCOC2)c2ccccc2c1=O 41376660 JLPHCEUBHOGHJN-CYBMUJFWSA-N 329.400 1.963 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 33210586 ZKSDNWYCHXTALT-CVEARBPZSA-N 343.427 1.162 0 40 EDAB NC(=O)c1csc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)c1 54086616 OJRDWRYLPKDXHS-UHFFFAOYSA-N 345.428 1.405 0 40 EDAB CCN1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1 252404 PJUBSLWCIZCLNJ-UHFFFAOYSA-N 334.807 1.321 0 40 EDAB CC[C@H]1CCCCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 23991335 CKZNDYQFWZDZAZ-ZDUSSCGKSA-N 325.434 1.537 0 40 EDAB COC(=O)c1sc2nc(C)nc(N3CCC[C@@H](C(N)=O)C3)c2c1C 24107312 FAWSUDKWQZCJBV-SNVBAGLBSA-N 348.428 1.796 0 40 EDAB S=C(NCCCN1CCOCC1)N1CCn2c1nc1ccccc12 24133963 QXOSVABHLBMTHU-UHFFFAOYSA-N 345.472 1.453 0 40 EDAB COc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2O)cn1 105824094 STQPNBULYFAUCH-UHFFFAOYSA-N 328.332 1.113 0 40 EDAB CCOC(=O)c1cn([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)nn1 105969354 BYYWYGFOATZUJJ-GFCCVEGCSA-N 348.746 1.613 0 40 EDAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@H]12 6216996 CMCZQHNDMQTNPH-LDDOYCOJSA-N 327.336 1.371 0 40 EDAB Cc1onc(-c2ccccc2)c1C(=O)N[C@]1(C)CCS(=O)(=O)C1 8314043 DTVSHPIGDNLIPS-MRXNPFEDSA-N 334.397 1.957 0 40 EDAB CCCN1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 44837960 RYQSPUDYJADMHV-UHFFFAOYSA-N 331.416 1.504 0 40 EDAB NC(=O)c1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1 10235074 OBGBOKNUOIBRDS-UHFFFAOYSA-N 334.379 1.960 0 40 EDAB Cc1ccc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)c(C)c1O 58245307 WPTJMFUWDSEVDK-UHFFFAOYSA-N 345.384 1.786 0 40 EDAB Cc1ccc([C@H](CNC(=O)c2nccnc2N)N2CCCC2)cc1 58215308 SKXTVQFLTXOPKE-HNNXBMFYSA-N 325.416 1.934 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCc2ccccc2F)CC1 58289621 ILTZAQNIFLELRB-KRWDZBQOSA-N 347.434 1.699 0 40 EDAB CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H]1CCCCNC1=O 58428900 WBLOUMXDTOFBHN-HNNXBMFYSA-N 349.479 1.138 0 40 EDAB COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2cn[nH]c2)c1 58419694 LKSPDEVTBINJMI-UHFFFAOYSA-N 339.373 1.784 0 40 EDAB O=C(O)C[C@H](NC(=O)c1ccc(O)nn1)c1ccc(Cl)s1 95463981 TZANIWVGQIJQSX-ZETCQYMHSA-N 327.749 1.843 0 40 EDAB NC(=O)[C@H](NC(=O)[C@H]1CCOC1)c1cccc(Br)c1 58751459 BAXDWTVKULTUJA-GXSJLCMTSA-N 327.178 1.128 0 40 EDAB CCOC(=O)NCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 36391717 WNYZUQAMUGUNJE-UHFFFAOYSA-N 346.387 1.559 0 40 EDAB Cc1cc(F)ccc1-n1cc(C(=O)NCc2csc(=O)[nH]2)nn1 179445398 AYZVMDOCRGABCZ-UHFFFAOYSA-N 333.348 1.395 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCc1ccnc(N2CCCC2)c1 29558603 QHZWKWJYWXIHHN-UHFFFAOYSA-N 327.432 1.891 0 40 EDAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 100792167 SCIKMOZXUNDISF-QCQGSNGOSA-N 339.395 1.456 0 40 EDAB biogenic C[C@@H](NC(=O)NCCc1nnc2n1CCC2)[C@@H]1COc2ccccc21 95438151 BOBAILFWPKILJS-OCCSQVGLSA-N 341.415 1.631 0 40 EDAB COc1ccc(Oc2ncccc2NC(=O)N2CCNC(=O)C2)cc1 48220600 DTYSJCZUYURKBO-UHFFFAOYSA-N 342.355 1.846 0 40 EDAB O=C(NC1CCN(C2CC2)CC1)c1ccc(N2CCOCC2)nc1 48248322 GKNUWWANDXIVJZ-UHFFFAOYSA-N 330.432 1.275 0 40 EDAB O=C(CNC(=O)NC1CC1)NC[C@@H]1CCCCN1Cc1ccccc1 62228193 HPEDUJIYZSALGG-KRWDZBQOSA-N 344.459 1.619 0 40 EDAB Cc1cnc2c(S(=O)(=O)NCCN3CCOCC3)cccc2c1 12736348 FDYIQJQDSGOLAR-UHFFFAOYSA-N 335.429 1.154 0 40 EDAB CC(C)NC(=O)CSc1nnc(SCC(=O)NC(C)C)s1 3395073 JYFDFLUPTNOCBE-UHFFFAOYSA-N 348.519 1.772 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2ccccn2)CC1 48350073 YVXDUYOZOAJXRI-OAHLLOKOSA-N 345.447 1.632 0 40 EDAB CSc1ncccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 3451556 QRKVUUCOVMWXSA-UHFFFAOYSA-N 337.426 1.381 0 40 EDAB CC1CCC(NC(=O)COC(=O)[C@H](C)NC(=O)c2ccco2)CC1 39222851 COJAVQKXFQCJCI-CPCZMJQVSA-N 336.388 1.636 0 40 EDAB CCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CC)CC2)cc1 4121345 VXEBRGJIVQXCPP-UHFFFAOYSA-N 348.472 1.968 0 40 EDAB CC(C)CNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 9227366 RGGJBFOPRXDMEL-UHFFFAOYSA-N 332.853 1.874 0 40 EDAB CCCNC(=O)c1cc(S(=O)(=O)N[C@H](C)COC)ccc1C 408620445 JRXGFYOEVMCFOV-GFCCVEGCSA-N 328.434 1.448 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CCCN(c3ncccn3)C1)C2 65463415 JSWKREBCXYBDRX-LSDHHAIUSA-N 340.431 1.329 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)OCC(C)C)CC2)c(O)c1 65542928 CTDKMVHIBUBJGG-UHFFFAOYSA-N 336.388 1.951 0 40 EDAB CCOc1ccc(OCCNC(=O)Cn2cccc(C)c2=O)cc1 65536610 XBXOSCWLDQJECZ-UHFFFAOYSA-N 330.384 1.751 0 40 EDAB CCCCNC(=O)COC(=O)CCS(=O)(=O)c1ccc(F)cc1 5309047 HFMVQXVLAOSURJ-UHFFFAOYSA-N 345.392 1.449 0 40 EDAB CCOc1cc(C(=O)NCC(=O)OC)cc(OCC)c1OCC 5651987 AABNZJJCVCJAND-UHFFFAOYSA-N 325.361 1.786 0 40 EDAB Cc1ccc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 5794539 PNADJIMGCXPVHS-UHFFFAOYSA-N 348.424 1.380 0 40 EDAB FC(F)(F)c1nnc2ccc(N3CCN([C@@H]4CCOC4)CC3)nn12 84429168 WOAPTKFFEGWJLL-SNVBAGLBSA-N 342.325 1.054 0 40 EDAB CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccn(Cc2ccccc2)n1 96456563 RMZXIZSWRXYFBH-INIZCTEOSA-N 341.415 1.920 0 40 EDAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(N)=O)c1 28196452 VXQFMOZUUOPHFT-UHFFFAOYSA-N 348.380 1.681 0 40 EDAB COc1cc(CN2C(=O)C(=O)N(C(C)C)C2=O)ccc1OC(F)F 7394269 FUIAXJBDSRJXNG-UHFFFAOYSA-N 342.298 1.996 0 40 EDAB NC(=O)c1ccc(O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 7541180 NXXFLMFVWYZELR-QGZVFWFLSA-N 340.379 1.764 0 40 EDAB COc1cccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 7708158 IYMRLIZQSTVZJH-UHFFFAOYSA-N 342.398 1.143 0 40 EDAB Cc1nc(CN2CCCN([C@H](C(N)=O)c3ccccc3)CC2)no1 71871611 LBSXJFGUDRHARW-INIZCTEOSA-N 329.404 1.112 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCc1nc(-c2ccccn2)no1 71829600 QCOHTAFERFTCBC-VXGBXAGGSA-N 343.387 1.177 0 40 EDAB COc1ccc([C@@H](O)CN2CCN(C[C@H](O)C(C)(C)C)CC2)cc1 71871698 NGBZTYTVAUMZNS-ROUUACIJSA-N 336.476 1.753 0 40 EDAB O=C(NCCS(=O)(=O)N1CCSCC1)c1ccc(Cl)o1 71884338 LGJYSAKMMOFKJM-UHFFFAOYSA-N 338.838 1.041 0 40 EDAB Cc1cc(NC(=O)CSc2nncn2CCc2ccccn2)no1 71804113 BSZBACGUJJSDNY-UHFFFAOYSA-N 344.400 1.943 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1ccccn1 8024283 SWRUMKHELCFPTN-ZDUSSCGKSA-N 344.415 1.856 0 40 EDAB CCCNC(=O)[C@H]1CN(C(=O)c2cnc(C)cn2)c2ccccc2O1 8074245 UCLKJAMQXFTPAT-MRXNPFEDSA-N 340.383 1.719 0 40 EDAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 71911397 PCAYCILSPLMXNA-OCCSQVGLSA-N 342.436 1.696 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 70038520 KUNUSTGLYXHCHP-BZSNNMDCSA-N 346.475 1.826 0 40 EDAB CCOCCN1CCN(CC(=O)Nc2ccnn2C(C)C)C[C@@H]1C 70020593 SUHWXBHRKKUXOJ-HNNXBMFYSA-N 337.468 1.445 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)Cn2nnc3ccccc32)n1 70017234 JLUJWBMXUOLJKS-OAHLLOKOSA-N 338.415 1.936 0 40 EDAB Cc1cnn(CCNCCCS(=O)(=O)c2ccc(F)cc2)c1 70008378 SHDDKKDCQUWUEM-UHFFFAOYSA-N 325.409 1.784 0 40 EDAB O=C(/C=C/c1ccsc1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 69417796 IBXKYJYCVZQAFY-NVFZZLLCSA-N 340.470 1.139 0 40 EDAB CN1CCN(c2ccc(NC(=O)CNC(=O)OC(C)(C)C)nc2)CC1 69563361 RFUUSAZXPPIQME-UHFFFAOYSA-N 349.435 1.297 0 40 EDAB Cn1cc(CN2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)cn1 306143039 XRKWTEBALSPFLJ-SJORKVTESA-N 331.420 1.067 0 40 EDAB O=C(CCN1C(=O)NC2(CCSCC2)C1=O)Nc1ccccc1 69561000 VLGWCFHOHNWLIV-UHFFFAOYSA-N 333.413 1.833 0 40 EDAB O=C(CSC[C@@H](O)c1ccccc1)N1CCN(C(=O)C2CC2)CC1 69509045 BOMBVRUHULBDMA-MRXNPFEDSA-N 348.468 1.534 0 40 EDAB C[S@](=O)CCNC(=O)NC1CCN(Cc2ccccc2F)CC1 95398055 RTHZNWAEOCWAGB-HSZRJFAPSA-N 341.452 1.468 0 40 EDAB C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1 69697484 ILGBFOQAMOAMQH-NSHDSACASA-N 334.807 1.875 0 40 EDAB CCOc1ccc(CNC(=O)NCCN2CCOCC2)cc1F 69655849 KRAYGYZDZHLJET-UHFFFAOYSA-N 325.384 1.356 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 69773423 CEEVTBBAGDTCIR-HNNXBMFYSA-N 334.464 1.312 0 40 EDAB CCc1nc(CN2CCC[C@H](NCc3nnc(C4CC4)n3C)C2)no1 69742671 WOFUNWUOMSLNPD-ZDUSSCGKSA-N 345.451 1.392 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCC[C@@H](Cn3cncn3)C2)o1 69778749 HIZUMMAMEQLJBL-OAHLLOKOSA-N 331.420 1.550 0 40 EDAB Cc1ccccc1-c1csc(=O)n1Cc1cc(=O)n(C)c(=O)n1C 69815847 DLABYVATFBXNIH-UHFFFAOYSA-N 343.408 1.331 0 40 EDAB Cc1ccccc1Oc1ccccc1CNC(=O)CNS(C)(=O)=O 69898760 QMFZXLRJHGCDFM-UHFFFAOYSA-N 348.424 1.953 0 40 EDAB COc1cc(F)c(NCCn2nc3ccccn3c2=O)cc1OC 69951733 IDUDKDQZYHWOOE-UHFFFAOYSA-N 332.335 1.764 0 40 EDAB CCCCn1nc(C(=O)N2CCCC[C@H]2Cn2cccn2)ccc1=O 69977007 BWSPDWWRFVFBOC-HNNXBMFYSA-N 343.431 1.935 0 40 EDAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 8727773 VKLSXINGBZUPLJ-RTXFEEFZSA-N 342.351 1.694 0 40 EDAB Cc1cn2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)[nH]1 8706179 YANAMQKZGIOINY-RMKNXTFCSA-N 335.367 1.698 0 40 EDAB CC(=O)[C@H](C)n1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O 8725118 ASQOXDAVALIQAI-QMMMGPOBSA-N 332.360 1.388 0 40 EDAB CCCCOc1cccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 8992014 VJQDAUMWBCATLP-KGLIPLIRSA-N 340.470 1.726 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)Nc3c[nH]ccc3=O)CC2=O)cc1 71185381 QJWDPFILZXSLQB-ZDUSSCGKSA-N 341.367 1.371 0 40 EDAB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@H](n2cncn2)C1 72234996 IXIDOCLDVCCBNM-JYJNAYRXSA-N 336.436 1.662 0 40 EDAB C[C@H]1CN(Cc2cccc(CNC(=O)N3CCO[C@H](C)C3)c2)CCO1 72273170 KXZZEWIELJKRFB-JKSUJKDBSA-N 347.459 1.838 0 40 EDAB Cc1cc(C(=O)NCc2c(C)nn(C)c2C)nc(N2CCCC2)n1 72241121 TUXRSXXQBDEZOF-UHFFFAOYSA-N 328.420 1.666 0 40 EDAB CCc1csc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)n1 72285669 AXOKBUOCQCSDDV-JSGCOSHPSA-N 347.444 1.987 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNc2cc(N3CCC[C@@H]3CO)ncn2)n1 72276133 DQINBVRGGJZVOE-XJKSGUPXSA-N 344.463 1.999 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)C2)no1 72231839 VEXUKZAJTJYJMV-UONOGXRCSA-N 332.404 1.343 0 40 EDAB NC(=O)[C@H]1CCCN1Cc1ccc(I)cc1 88185149 AIEJRJWEUDIDRE-LLVKDONJSA-N 330.169 1.741 0 40 EDAB CCc1ncnc(N2CCC(C(=O)Nc3nncs3)CC2)c1F 95981525 QPTFNFQZPJLYTH-UHFFFAOYSA-N 336.396 1.885 0 40 EDAB O=C1C[C@H](C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)CN1 95983093 BEHIGCQFDAIDJI-HNNXBMFYSA-N 338.411 1.147 0 40 EDAB C[C@](COc1ccccc1)(NC(=O)Cc1ccc(O)cc1)C(=O)O 95989436 IWCXEWWHFKJHSC-GOSISDBHSA-N 329.352 1.973 0 40 EDAB O=C([C@@H]1Cc2ccccc2O1)N1CCC(c2ccnn2CCO)CC1 89543280 KZXDWACEKGZCIS-SFHVURJKSA-N 341.411 1.585 0 40 EDAB Cc1c(C(=O)N[C@H]2CCN(C3CC3)C2=O)cnn1Cc1ccccc1 89544844 KCVOVKSLBAGAMZ-KRWDZBQOSA-N 338.411 1.733 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)N[C@@H]3CCCCNC3=O)cn2)n1 89595691 ZGNKDFDKWJPYJS-CQSZACIVSA-N 342.403 1.674 0 40 EDAB Cc1nc(COc2ccc(C(=O)N3CCN(C)C[C@H]3C)cc2)no1 89718414 RWUSLEZJQQTXSN-GFCCVEGCSA-N 330.388 1.733 0 40 EDAB COc1cccc(CN2CC[C@H](N(C)Cc3nnc(C)n3C)C2)c1 89736044 HSMDCMHNYJIHPG-INIZCTEOSA-N 329.448 1.838 0 40 EDAB CC(C)CN1CC[C@@H](CNC(=O)NCC(=O)Nc2ccccc2)C1 89840161 LEWZQTRDEHNEIM-HNNXBMFYSA-N 332.448 1.902 0 40 EDAB O=C(c1cc(F)cc(Cl)c1O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 556830049 CAUSAFZEJDMZFX-NWDGAFQWSA-N 347.795 1.976 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc(NC(=O)OCC)cc1 408556961 FNHBYXHMDGGJIU-UHFFFAOYSA-N 330.406 1.960 0 40 EDAB Cn1cncc1CN1CC[C@@H]2OCCN(CCN3CCCC3)[C@@H]2CC1 306128451 HARWFUYIDBABLF-MOPGFXCFSA-N 347.507 1.181 0 40 EDAB Cn1cc(-c2cnc3n2C[C@@H]2CN(Cc4ccccn4)C[C@@H]2C3)cn1 306139061 SOHKUPKMVOUKHZ-HOCLYGCPSA-N 334.427 1.983 0 40 EDAB CCOCCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 409132798 RLCHPGSIHZOICE-UHFFFAOYSA-N 348.852 1.649 0 40 EDAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(N)=O)n1C 409164959 QFLSKVMZEBNJHE-CYBMUJFWSA-N 347.444 1.520 0 40 EDAB O=C(O)/C=C\C(=O)Nc1ccc(Cl)c(NC(=O)/C=C\C(=O)O)c1 31628666 HSDNLYWHXUATJJ-GLIMQPGKSA-N 338.703 1.499 0 40 EDAB CCCc1[nH]ccc1C(=O)N1C[C@H](c2cnn(C)c2C)[C@@H](C(N)=O)C1 527579111 GQPMUKBDHLSAMC-CABCVRRESA-N 343.431 1.350 0 40 EDAB CCN(CC)C[C@H]1CN(c2ccc3nncn3n2)Cc2ccnn21 306138497 RYXCMYWOTDOKEL-AWEZNQCLSA-N 326.408 1.224 0 40 EDAB C[C@H]1CCN(C(=O)NCCn2c(=O)oc3ccccc32)C[C@@H]1C(=O)O 564925158 IYFRYCBJUDRYIX-RYUDHWBXSA-N 347.371 1.347 0 40 EDAB c1ccc(N2CCN(Cc3ccnc(N4CCOCC4)n3)CC2)nc1 72348182 MZSIQCNJICHZMR-UHFFFAOYSA-N 340.431 1.030 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C1(O)CCCCC1 32873888 MADNWNWZIALKSM-QWHCGFSZSA-N 340.420 1.629 0 40 EDAB O=S(=O)(CCc1ccccc1)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 238835834 GRCHKIYSFQQVKZ-OAGGEKHMSA-N 325.430 1.485 0 40 EDAB COc1ccc2c(c1)C[C@@H](C(=O)N1[C@H]3CC[C@H]1[C@@H](C(=O)O)C3)CO2 566301005 LIAIXSKIKKMBDJ-DHMWGJHJSA-N 331.368 1.710 0 40 EDAB Cc1ccsc1CNc1ccc(C(=O)N2CCNC(=O)C2)cn1 79030977 RPDNWWRLFZYKQY-UHFFFAOYSA-N 330.413 1.636 0 40 EDAB CSCc1cccc(S(=O)(=O)NCCN2CCOCC2)c1 72240350 HCQJABLKYQRRKH-UHFFFAOYSA-N 330.475 1.160 0 40 EDAB Cn1cccc1[C@@H]1COCCN1[C@@H]1CCN(CC(F)(F)F)C1=O 131938331 OMALMISIVFIKSV-OLZOCXBDSA-N 331.338 1.562 0 40 EDAB COc1ccc(-c2noc(=O)n2Cc2ncnn2CCF)cc1OC 225639015 YCXHBNHIMGPDBC-UHFFFAOYSA-N 349.322 1.130 0 40 EDAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C 223276077 LJHXVVIVDGVPLK-HOTGVXAUSA-N 329.473 1.954 0 40 EDAB CC(C)c1ccccc1NC(=O)CS(=O)(=O)Cc1cnnn1C 574246097 DGQXLNWBOBZWBH-UHFFFAOYSA-N 336.417 1.492 0 40 EDAB O=C([C@H]1Cc2ccccc2CO1)N1CCC[C@H](Oc2cccnn2)C1 225457232 PQNHGOPNVIAAPU-DLBZAZTESA-N 339.395 1.988 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccco2)cc1 75156327 HQHSZEOMVFQAAM-HNNXBMFYSA-N 338.385 1.424 0 40 EDAB CC(C)CN1C[C@H](C(=O)NCc2nc(O)c3ccccc3n2)CC1=O 570939986 AHUYHFAMFSZCKX-GFCCVEGCSA-N 342.399 1.456 0 40 EDAB Cn1ncnc1[C@@H]1COCCN1Cc1cccc2c1OC(F)(F)O2 571265146 ISPNEEBIYGNYAF-NSHDSACASA-N 338.314 1.710 0 40 EDAB C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1nc(O)nc(O)c1N 331623255 YBIDPGVJRHRUMR-GXSJLCMTSA-N 330.344 1.072 0 40 EDAB CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)N=c1cc[nH]cc1 583623159 XOBZXRJTGCHSOR-WMLDXEAASA-N 342.447 1.784 0 40 EDAB Cn1cc(CN2CCC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2)cn1 96217269 ATJHHEWOCKCQFW-LJQANCHMSA-N 339.443 1.943 0 40 EDAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2cccc(O)c2)o1 96113736 ISPZPOGFGNOFPF-CYBMUJFWSA-N 334.324 1.892 0 40 EDAB biogenic COc1ccc(NC(=O)N2CCO[C@H](C)C2)cc1-n1nnnc1C 96403208 PELAIXNMIUPVTP-SNVBAGLBSA-N 332.364 1.232 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)CC(C)(C)C)CC2 96254847 QYRCNUPQTOCGPK-UHFFFAOYSA-N 346.475 1.985 0 40 EDAB CCn1nc(C)c2nnn(CC(=O)c3ccc(Cl)cc3)c(=O)c21 96182588 SSDXQIABBBNKQI-UHFFFAOYSA-N 331.763 1.853 0 40 EDAB Cc1ccc(C(=O)N2Cc3nnn(C)c3[C@@H](COCCN(C)C)C2)o1 96060683 WRLMJAMKJAWVLY-CYBMUJFWSA-N 347.419 1.034 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](C)Cn2cccn2)cc1N(C)C 96461891 IJDOEPCFHZJJLR-CYBMUJFWSA-N 336.461 1.872 0 40 EDAB Cc1ccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3CCN2CCOCC2)o1 96186316 ZTXMIVIFCQEVAL-ROUUACIJSA-N 347.459 1.486 0 40 EDAB Cn1ccnc1CN1CC[C@@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 96100620 RRYLIDIUJVZMQL-GOSISDBHSA-N 343.431 1.113 0 40 EDAB Cn1c(CNC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21 96230843 CDNCGDYYMUMSAG-UHFFFAOYSA-N 339.403 1.536 0 40 EDAB O=C(COc1ccccc1)N1C[C@@H]2OCCN(C3CCOCC3)[C@@H]2C1 96248715 JIEKUXMAXHBGEG-MSOLQXFVSA-N 346.427 1.156 0 40 EDAB O=C1[C@@H]2CCN(Cc3ccco3)C[C@@H]2OCCN1c1cccnc1 96107131 VPPOWFFINHDADK-SJORKVTESA-N 327.384 1.929 0 40 EDAB CC(=O)N1CCC[C@@](O)(C(=O)NCc2ccccc2OC2CCC2)C1 581146830 BVHNCWDNQMZFTR-IBGZPJMESA-N 346.427 1.608 0 40 EDAB Cn1cc(CN2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)cn1 96108866 ASSGWMKXUOVJCO-QZTJIDSGSA-N 328.416 1.480 0 40 EDAB O=C(c1cccc(C(F)(F)F)c1)N1CC(N2C(=O)CNC2=O)C1 245171676 XPMJTWLHGAAZGG-UHFFFAOYSA-N 327.262 1.082 0 40 EDAB COCC(=O)NCC[C@H]1CCOC12CN(Cc1ccccc1F)C2 247806828 AAJBPGVAQZNHMF-HNNXBMFYSA-N 336.407 1.569 0 40 EDAB CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@]2(COC)C(N)=S)cc1 242723206 YGJANHUYSDUOHE-VNHYZAJKSA-N 327.471 1.678 0 40 EDAB COC[C@@]1(C(=O)OC)CCCCN1S(=O)(=O)c1cccc(F)c1 585129234 CFTSPMPFVJOSOW-OAHLLOKOSA-N 345.392 1.559 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)cc1 585114690 RZXRJZQCGAFSPK-CVEARBPZSA-N 338.473 1.773 0 40 EDAB COc1ccc(S(=O)(=O)NCC[S@@](=O)C(F)(F)F)c(C)c1 585115049 KFODNIIDCWOPOD-HXUWFJFHSA-N 345.364 1.550 0 40 EDAB CCCc1cc(C(=O)N2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)no1 257343349 ZSNUZCLSFALSHB-HNNXBMFYSA-N 347.419 1.626 0 40 EDAB Cc1cn(C)c([C@@H]2CN(C(=O)Cn3cnc4ccccc43)CCO2)n1 257242630 IDJYBAJZZHSXAN-INIZCTEOSA-N 339.399 1.678 0 40 EDAB COc1ccccc1[C@H]1CN(C(=O)Cn2cc(C)cn2)CCN1C 257233211 GOGOCQYBTYKURK-MRXNPFEDSA-N 328.416 1.715 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@@H](Cc3cc(O)ncn3)C2)cn1 257275860 NRGNWTQQLBXCSB-ZDUSSCGKSA-N 328.372 1.217 0 40 EDAB O=C(c1ccncn1)N1CCOC[C@@H](Cc2ccc3[nH]ncc3c2)C1 257205903 BBAJCILXNVVMTF-AWEZNQCLSA-N 337.383 1.684 0 40 EDAB Cc1cc(CC[C@@H]2CCCN2C(=O)c2cnc(O)nc2O)ccn1 257287833 PRRMONOYUKYGOP-ZDUSSCGKSA-N 328.372 1.829 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@H](c3nc(C)c[nH]3)C2)c1C 257261016 LFKSQMFUBQLSIY-ZDUSSCGKSA-N 337.449 1.811 0 40 EDAB CN(c1ccncn1)C1CC2(CCN(C(=O)Cn3ccnc3)C2)C1 257204362 AUEPCMUUKXLMPB-UHFFFAOYSA-N 326.404 1.191 0 40 EDAB NCCOc1cccc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)c1 257254344 KCRLTFVZSSSNLB-BRWVUGGUSA-N 344.415 1.105 0 40 EDAB O=C(c1cncs1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257200711 AEOWMTXQBMRWSZ-CYBMUJFWSA-N 331.388 1.451 0 40 EDAB COCCN1CCN(Cc2cnc([C@]3(C)CCCCO3)nc2)CC1 257336955 YQTYFFWZKVBOCI-SFHVURJKSA-N 334.464 1.656 0 40 EDAB C[C@H](NC(=O)c1ccc(NC(=O)[C@H](C)n2cccn2)cc1)C(=O)O 262973944 OWHBCOKETAXPPJ-QWRGUYRKSA-N 330.344 1.286 0 40 EDAB CSC[C@](C)(O)CNc1cc(S(=O)(=O)NCC2CC2)ccn1 1615045861 BWJZEYOELKNTCA-CQSZACIVSA-N 345.490 1.296 0 40 EDAB CCN1C(=O)C[C@H](C(=O)NC2CCN(C)CC2)[C@H]1c1nccn1CC 1615554712 YKKDWMULQQXYFE-HOCLYGCPSA-N 347.463 1.023 0 40 EDAB CC(C)n1ncc2cc(C(=O)Nc3cnn(CC(=O)O)c3)cnc21 647745402 ZDDSFUDVBYCPBY-UHFFFAOYSA-N 328.332 1.546 0 40 EDAB CCCS(=O)(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575403625 IEQKCBOWUBAVJH-OAHLLOKOSA-N 335.429 1.886 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccsc3)[C@H]2C1 575405769 TYFWDKBQZWANMJ-HWKXDMQWSA-N 334.441 1.607 0 40 EDAB COCc1nnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@H]2C 585098345 WNUXCPGNARKKRJ-JTQLQIEISA-N 330.344 1.370 0 40 EDAB COc1ccc(CCNC(=O)C[C@@]2(CO)CCCN2C(C)=O)cc1C 585280550 PMSAINOJMJTPPO-LJQANCHMSA-N 348.443 1.426 0 40 EDAB CN1CCC(N2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 585278123 ZUAFCXGNURXMPD-SFHVURJKSA-N 338.423 1.362 0 40 EDAB COCc1cccc(C(=O)N2CCC[C@H](OC)[C@@H]2CCC(N)=O)c1 585279214 VIGSJVNIWYGRCN-HOTGVXAUSA-N 334.416 1.718 0 40 EDAB O=C(/C=C/CN1CCOCC1)N1CC[C@@H](O)[C@H](Cc2ccccc2)C1 585292278 ZSCKYFWPHZMEHS-LVLPYEQSSA-N 344.455 1.327 0 40 EDAB Cc1ccc(N2C[C@@]3(CCN(C(=O)[C@H]4[C@H]5COC[C@H]54)C3)CC2=O)cc1 585101582 UAAVKJFWWQEZCZ-WQDJSCAQSA-N 340.423 1.843 0 40 EDAB Cc1nccc(CN2CCOC[C@](O)(COc3ccccc3C)C2)n1 585276871 SHQDBWOELHIOFW-IBGZPJMESA-N 343.427 1.736 0 40 EDAB Cc1cc(CN2Cc3ccnn3[C@H](CCN3CCCC3)C2)n(C)n1 585112760 VWAITRCJCORMCH-QGZVFWFLSA-N 328.464 1.968 0 40 EDAB Cc1ccc2cc(C(=O)N3CCN(C[C@H](C)O)CC3)c(C)nc2c1 70038690 ZHPZDBAJEGSEDA-AWEZNQCLSA-N 327.428 1.990 0 40 EDAB CN(C)c1cc(CNC(=O)NCC[S@@](=O)c2ccccc2)ccn1 71909904 RBRIEUJDOOXFRC-DEOSSOPVSA-N 346.456 1.755 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)nc(C)n1 71889653 PNORDLDXNKXWDK-HNNXBMFYSA-N 342.447 1.817 0 40 EDAB Cn1cc(-c2nc(C(=O)N[C@H](C(N)=O)c3ccccc3)cs2)cn1 44954264 QOUKRYDSTJUOPR-ZDUSSCGKSA-N 341.396 1.500 0 40 EDAB COCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 48167476 SPNRGWMTXCMBPT-ZETCQYMHSA-N 335.223 1.392 0 40 EDAB Cc1[nH]c2ccc(C(=O)NC3CCN(S(C)(=O)=O)CC3)cc2c1C 40497284 FBKAMFOENXMPNR-UHFFFAOYSA-N 349.456 1.939 0 40 EDAB CCc1n[nH]c([C@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)n1 89289819 XTIXHTBRLVWXPA-OAHLLOKOSA-N 341.415 1.330 0 40 EDAB O=C(NCC1(O)CCOCC1)c1cc(F)cc(Br)c1 75229618 QLCRRLKAONUAPL-UHFFFAOYSA-N 332.169 1.860 0 40 EDAB COc1cccc(C(=O)NS(=O)(=O)c2ccc(Cl)nc2)c1 42281941 BLGMKJRUSWNZAS-UHFFFAOYSA-N 326.761 1.862 0 40 EDAB O=C(NCc1ccc(O)cc1)c1ccc(N2CCCS2(=O)=O)cc1 42652655 PHYBXDRREWCKSO-UHFFFAOYSA-N 346.408 1.862 0 40 EDAB OC1(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCCC1 1615109785 VNXDRBQDUHHRPI-SFHVURJKSA-N 339.407 1.573 0 40 EDAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 5399336 DNNSLLOOYLWHIW-IRCOFANPSA-N 332.278 1.354 0 40 EDAB biogenic,in-vitro COc1ccccc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1C 12427867 JXSWMXARKJHFCI-UHFFFAOYSA-N 345.384 1.396 0 40 EDAB biogenic,in-vitro CC[C@H](C(=O)N[C@@H](C)COC)N(c1ccc(F)cc1)S(C)(=O)=O 13715900 YTIVSGMGTZFAGT-SMDDNHRTSA-N 346.424 1.521 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1 17320508 ZCWVKLJHONRGEP-LBPRGKRZSA-N 326.418 1.375 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1 19658730 DZBBKHCVWLMNTN-UHFFFAOYSA-N 337.405 1.049 0 40 EDAB CC(C)[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)NC(N)=O 4800412 XEOKLBUIORTLCU-CYBMUJFWSA-N 347.444 1.718 0 40 EDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)[C@H]2C[C@@H]2C)c1 4806761 IFVRHAFSRWEUGA-CABZTGNLSA-N 349.339 1.398 0 40 EDAB O=C(COC(=O)c1ccc(I)cc1)NC1CC1 5113089 CAMCJBUXOPMKRA-UHFFFAOYSA-N 345.136 1.727 0 40 EDAB O=C(c1cccnc1)N1C[C@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888850367 GTKLHXZKDRFZMO-HZPDHXFCSA-N 335.411 1.957 0 40 EDAB COc1ccc(CCNC(=O)COC(=O)c2c(C)noc2N)cc1 16326423 VHKFKBUKQCWYIX-UHFFFAOYSA-N 333.344 1.090 0 40 EDAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccccn2)n1CC 16755447 IARPNMUSHHTOKS-UHFFFAOYSA-N 349.416 1.131 0 40 EDAB O=S(=O)(NCc1nc(-c2cc(C3CC3)on2)no1)N1CCCC1 238917200 SQJGBDDCSZWIAS-UHFFFAOYSA-N 339.377 1.032 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@H](N4CCCCC4)CS3)C2)n(C)n1 2056224616 ZLUWFUHZNFLNSJ-AWEZNQCLSA-N 334.489 1.915 0 40 EDAB COc1cc(C(=O)N2Cc3nccn3C[C@@H](CN(C)C(C)C)C2)on1 1615065595 WOQCWGZNXRVXSN-CYBMUJFWSA-N 347.419 1.492 0 40 EDAB Cc1nc(C(=O)N2C[C@@H]3CCN(c4cnccn4)C[C@@H]3C2)cs1 1565554088 JWCKSWSYJCZLOW-QWHCGFSZSA-N 329.429 1.840 0 40 EDAB C[C@@H](NC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1)c1ccccc1 4941496 UPAPMWIOURNASK-UKRRQHHQSA-N 332.400 1.666 0 40 EDAB Cc1ccc(N2CCn3c2nn(Cc2ccccc2)c(=O)c3=O)cc1 8849771 NQUJRRXALATHMY-UHFFFAOYSA-N 334.379 1.913 0 40 EDAB CN(C)C(=O)C1(n2cccn2)CCN(C(=O)c2ccc(F)cc2)CC1 2055772139 ALEGQYKQHLZHED-UHFFFAOYSA-N 344.390 1.742 0 40 EDAB COc1cnccc1C(=O)N1CCc2ncnc(-c3cncnc3)c2C1 2055771544 GSJJKYQRKLGCIJ-UHFFFAOYSA-N 348.366 1.536 0 40 EDAB CCC(CC)NC(=O)c1ncn2c1CC[C@H](C(=O)N1CCOCC1)C2 2055713393 JEGORGCDFAJCAL-ZDUSSCGKSA-N 348.447 1.223 0 40 EDAB Cc1cccc(O[C@H](C)C(=O)N2CC(Cn3nc(C)ccc3=O)C2)c1 1775967056 CQVWPVUBHSKPMR-OAHLLOKOSA-N 341.411 1.786 0 40 EDAB COCCc1nsc(N2CCC(NC(=O)C(C)(C)C)CC2)n1 1057868125 KUYXAZMGKZWCMC-UHFFFAOYSA-N 326.466 1.858 0 40 EDAB CN(C)c1nc(CNC(=O)Nc2ccccc2Cl)nc(N(C)C)n1 575608865 YTLGKRICWXOZDG-UHFFFAOYSA-N 349.826 1.979 0 40 EDAB Brc1cnc(N2CC[C@H](COc3cnccn3)C2)nc1 2298183849 GMEFHJHAMSPGML-JTQLQIEISA-N 336.193 1.934 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@@H](OCCO)c1ccc(C)cc1 96337616 QXVVNGMPUXTWGW-OAHLLOKOSA-N 333.388 1.217 0 40 EDAB Cn1cc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)cn1 40105607 PPYXSXFBOLOBHX-UHFFFAOYSA-N 340.493 1.887 0 40 EDAB CC1(C)Cc2c(sc3nc(CN4CCOCC4)[nH]c(=O)c23)CO1 40286007 GRJKBHQYQFGBMP-UHFFFAOYSA-N 335.429 1.668 0 40 EDAB O=C1N[C@@]2(CCSC2)C(=O)N1C[C@H](O)c1ccc(Cl)cc1 40490094 OCTBPBTUVQYMMG-SMDDNHRTSA-N 326.805 1.801 0 40 EDAB C[C@H]1CN(Cc2nc(CC(=O)NCc3ccccc3)no2)C[C@@H](C)O1 40513745 NOOMMNMQPUYDQB-OKILXGFUSA-N 344.415 1.538 0 40 EDAB O=C(CCc1nc(-c2ccsc2)no1)N[C@@H]1CCCCNC1=O 40521696 FEAFYIAUTGXMJV-LLVKDONJSA-N 334.401 1.516 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NCCc2ccccc2)no1 40528845 NVLUWPSNHGOQRY-CYBMUJFWSA-N 336.413 1.645 0 40 EDAB Cc1ccc(-c2noc([C@@H](C)N3CCN(CC(N)=O)CC3)n2)cc1 40511297 HQYNBJJRSMNBAK-CYBMUJFWSA-N 329.404 1.209 0 40 EDAB Cn1nc(C(=O)Nc2cccc(Cl)c2-n2cncn2)ccc1=O 31922402 KVBPGBVTCPXAFB-UHFFFAOYSA-N 330.735 1.267 0 40 EDAB COc1ccc(C(=O)NCCNc2cnccn2)cc1OC(F)F 52578891 JPDLJJDGMAUDFP-UHFFFAOYSA-N 338.314 1.929 0 40 EDAB Cc1cc(=O)c(C(=O)NCCc2ccccn2)nn1-c1ccccc1 21774864 PQJNTJZKAHXBKH-UHFFFAOYSA-N 334.379 1.908 0 40 EDAB Cc1cc(=O)c(C(=O)NC[C@@H]2CCOC2)nn1-c1ccc(Cl)cc1 41373143 XEEBRLKKLIELAA-LBPRGKRZSA-N 347.802 1.961 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCN(c3ccc(O)cc3)CC2)on1 21999617 RTQVCKYYQUNGBB-ZDUSSCGKSA-N 330.388 1.838 0 40 EDAB O=C(Nc1c[nH]ccc1=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 52964503 CKXMKAWOYCBDCX-AWEZNQCLSA-N 325.368 1.405 0 40 EDAB Cc1nn(CC(=O)N2CCO[C@@H]3CCC[C@@H]32)c(=O)c2ccccc12 53372393 LEDSULFTHHLACO-JKSUJKDBSA-N 327.384 1.485 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2sccc2C)n(C)c1 53464650 DUHDPAZZNARUFP-UHFFFAOYSA-N 341.458 1.575 0 40 EDAB O=C(NCCOc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 22480462 SGOXGUFDULVPFK-UHFFFAOYSA-N 329.308 1.953 0 40 EDAB C[C@@]1(NC(=O)c2cccc(N3CCCC3=O)c2)CCS(=O)(=O)C1 22550765 OMGDMPHWLWATCK-MRXNPFEDSA-N 336.413 1.120 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 23457384 XSMZFFUNADPLCN-UHFFFAOYSA-N 348.856 1.013 0 40 EDAB CCN(CC)S(=O)(=O)N[C@H](c1ccccc1F)c1nccn1C 23404804 VWTJTIVBSCZPLQ-CQSZACIVSA-N 340.424 1.825 0 40 EDAB COC(=O)c1sc2ncn(CC(=O)N3CCCC3)c(=O)c2c1C 148049 VJZFJUXXXKIIKT-UHFFFAOYSA-N 335.385 1.175 0 40 EDAB O=C(NC[C@@H]1CCCO1)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 320987 RGUYKULSLJAZCE-HOTGVXAUSA-N 332.400 1.504 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 47615684 HTIQDTXPZGCTLN-GDBMZVCRSA-N 330.432 1.031 0 40 EDAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(C)=O)c(OC)c1 809708 RQJSZNQRWMPOBY-CQSZACIVSA-N 334.328 1.421 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(C[C@H](O)COc2ccccc2)C1=O 24347185 UUUUODKKFLXALL-SJCJKPOMSA-N 330.340 1.487 0 40 EDAB CCn1cc(S(=O)(=O)Nc2ccc([S@](C)=O)c(F)c2)cn1 78900050 VQBDSDYVZPWSED-HXUWFJFHSA-N 331.394 1.580 0 40 EDAB COc1cc(NC(=O)NCc2nncn2C)ccc1Br 78973340 YSOVLEMDAPQTRS-UHFFFAOYSA-N 340.181 1.908 0 40 EDAB O=C(Nc1cccc(-c2nnco2)c1)c1cccnc1-n1cncn1 24739566 WCXNAOOWDZXJDC-UHFFFAOYSA-N 333.311 1.965 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nc(N)cc(N)n1 3406345 WYOXWQTZGXGNBU-RKDXNWHRSA-N 338.437 1.138 0 40 EDAB CN1CCN(CCNC(=O)c2ccnn2C)[C@H](c2ccccc2)C1 106579122 MBBXJMTXRMLHID-KRWDZBQOSA-N 327.432 1.139 0 40 EDAB O=C(Nc1ccccc1-n1cncn1)c1ccc(-n2cnnn2)cc1 25002628 CETWRCBGVNSRPQ-UHFFFAOYSA-N 332.327 1.495 0 40 EDAB O=C(CCn1cncn1)NCc1ccc(C(=O)N2CCCC2)cc1 25327302 POKCIAVMZFBHQS-UHFFFAOYSA-N 327.388 1.221 0 40 EDAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1)N1CCCC1 6918556 MARNTNQFKGIHFU-UHFFFAOYSA-N 325.415 1.512 0 40 EDAB O=C(c1ccncc1)N1CCO[C@H]2CCN(Cc3ccco3)C[C@@H]21 108536013 AOVNHPWNVIDVQQ-IRXDYDNUSA-N 327.384 1.790 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCOc1ccccc1 25909001 VOSPEFVGXRMSPN-HNNXBMFYSA-N 340.445 1.386 0 40 EDAB O=C(NCCn1ccnc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 43946594 ORLZYVKOOISKAW-UHFFFAOYSA-N 344.390 1.691 0 40 EDAB Nc1nc(Cl)cc(NCCCNc2cc(Cl)nc(N)n2)n1 1614230 IRALZZANDSGMIK-UHFFFAOYSA-N 329.195 1.652 0 40 EDAB CC(C)(C)OC(=O)NCCCn1c(=O)n(CC(=O)O)c2ccccc21 72233790 BNDGPWJGJAPTCS-UHFFFAOYSA-N 349.387 1.802 0 40 EDAB COc1ccc([C@@H]2[C@H]3[C@@H](C)NC(=O)N(C)[C@H]3NC(=O)N2C)c(OC)c1 102804429 IVGBQRCBJJPBGS-SEWBAHNZSA-N 348.403 1.386 0 40 EDAB O=C(Cc1cccc(F)c1)NC[C@H](O)COc1ccc2c(c1)OCO2 58171736 VAEGRMLMGHTFGD-AWEZNQCLSA-N 347.342 1.653 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCCN1CCCc2ccccc21 58265391 PTQLZEQYQHPMGX-CQSZACIVSA-N 341.411 1.967 0 40 EDAB O=C(NCc1ccccc1-n1cccn1)c1cccc(-n2cnnn2)c1 58290598 BNOOHRBIGWTOMN-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB CC(C)NC(=O)NCCNC(=O)c1cccc(Br)c1 58278126 USTKGZSRCRSDOW-UHFFFAOYSA-N 328.210 1.887 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 58248570 JMUQGLXADYGPLQ-SNVBAGLBSA-N 348.827 1.968 0 40 EDAB NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 58263892 WEAVIUPLUBJWGP-UHFFFAOYSA-N 344.389 1.415 0 40 EDAB COc1ccc(C)cc1[C@H](O)CN1CCN(c2cnccn2)CC1 44975200 AUBXWTKRCPPIIL-MRXNPFEDSA-N 328.416 1.649 0 40 EDAB COCCn1cc(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cn1 44971783 QYZVBVZWRMCPBH-CYBMUJFWSA-N 345.407 1.110 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCc1cccnc1 107721433 VXPXUYNZSJFAGW-ULQDDVLXSA-N 340.383 1.460 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccccc2Cn2cncn2)C[C@H](C)O1 28400842 APVSWNDKVLTXAZ-KBPBESRZSA-N 329.404 1.645 0 40 EDAB CC[C@@H]1CN(C(=O)c2ncoc2[C@@H]2CCCO2)C[C@@H]1N1CCOCC1 84735990 QVQCZXGPCKJRIF-ILXRZTDVSA-N 349.431 1.709 0 40 EDAB O=C(NCCNC(=O)c1nccn2ccnc12)c1ccc(F)cc1F 95404180 ZBGMGJTYZKNLHP-UHFFFAOYSA-N 345.309 1.167 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N1CCN(Cc2ccsc2)CC1 46465138 ABOUEUPRJQNGEI-AWEZNQCLSA-N 333.461 1.861 0 40 EDAB O=C(CN1C(=O)CNC1=O)Nc1ccc(Cl)cc1C(F)(F)F 2641668 JNYSPXYZZXWWLV-UHFFFAOYSA-N 335.669 1.849 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)NCc3ccc4c(c3)OCO4)CCO2)n1 95409014 IFAAXNYUUISMNP-CQSZACIVSA-N 345.359 1.125 0 40 EDAB CC(C)C(=O)NCCCNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 95440288 IXUMCYZMIOAOPL-GJZGRUSLSA-N 335.452 1.828 0 40 EDAB O=C(NCCCNc1ccccn1)Nc1ccc(-n2cncn2)nc1 46944003 UQNILODRNFZGIZ-UHFFFAOYSA-N 338.375 1.681 0 40 EDAB Cc1csc(NC(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)n1 27976269 MTZPXOZZYKVONI-SNVBAGLBSA-N 330.373 1.833 0 40 EDAB C[C@H]1CCCCN1[C@@H](C)CNS(=O)(=O)c1cccc(C(=O)O)c1 48279957 ZYRNBLCWQLAIQX-STQMWFEESA-N 340.445 1.926 0 40 EDAB CN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3nnsc3Cl)C2)C1=O 95402590 LJVWBUUCAMZTLL-SDBXPKJASA-N 343.840 1.344 0 40 EDAB CCOC(=O)[C@](NCc1ccc(OC)cc1)(NC(C)=O)C(F)(F)F 20609078 YVPQQZUHRUUKEM-AWEZNQCLSA-N 348.321 1.743 0 40 EDAB COc1ccc(C(=O)N[C@H](C(=O)NC[C@@H]2CCCO2)C(C)C)cc1 3456250 JEEVVQOMSWRZQO-HOTGVXAUSA-N 334.416 1.745 0 40 EDAB COc1cccc(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)c1 3454334 DWJLVVCASGEJBT-UHFFFAOYSA-N 333.344 1.081 0 40 EDAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ncc(C)o2)c1 72307477 YKOCKLPKYWXHFB-UHFFFAOYSA-N 344.776 1.902 0 40 EDAB Cc1ccc(CNC(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 65440255 KFOIHKXSMGQZPC-UHFFFAOYSA-N 334.401 1.037 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1 65553949 ANTZZZZZKRTDPH-YPMHNXCESA-N 328.459 1.665 0 40 EDAB CCN1CCC(n2nccc2NC(=O)[C@H]2CN(CC)CCO2)CC1 73293314 VIFDBFBSWDWJHM-OAHLLOKOSA-N 335.452 1.199 0 40 EDAB Cc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sccc32)cc1F 6679569 GKAHAAPGRNKFLL-UHFFFAOYSA-N 347.371 1.848 0 40 EDAB COc1cc(OC)cc(N2CC[C@H](N(C)Cc3cnnn3C)C2)c1 93871235 QCYABRSXZFOVMH-ZDUSSCGKSA-N 331.420 1.543 0 40 EDAB CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)c1 408976551 RKSANEZCJBGONN-ZZCKCESHSA-N 327.336 1.085 0 40 EDAB CCCCN(C)CC1CCN([C@H](C)C(=O)NC(=O)NC2CC2)CC1 66960789 ZPGHDONODGUWKR-CQSZACIVSA-N 338.496 1.807 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nc(C)cc(N)n1 7094565 ZNXVZVZGMUDFKK-SNVBAGLBSA-N 326.422 1.163 0 40 EDAB O=C(c1ccc(-c2cn[nH]c2)nc1)N1CCC(N2CCOCC2)CC1 67675954 BOFMJCDWTIGMMI-UHFFFAOYSA-N 341.415 1.409 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)c2cnn(-c3ccccc3)c2)C1 67815135 NMCXLOQLUBQPKA-AWEZNQCLSA-N 348.428 1.026 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C2=COCCO2)c1C 7655457 CHTXLTACCLFLRN-SNVBAGLBSA-N 337.328 1.421 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc2c(c1)OCCO2 68373071 PCQBIVQUDNBJNZ-RYUDHWBXSA-N 335.404 1.560 0 40 EDAB O=C1O[C@H](C(=O)NCc2cn3ccsc3n2)Cc2ccccc21 71855925 OYJCDESMWOXRRI-ZDUSSCGKSA-N 327.365 1.794 0 40 EDAB Cc1nccn1[C@@H]1CCCN(C(=O)c2ccccc2-n2cnnn2)C1 71870583 VMSIOLYPXSVLAD-CQSZACIVSA-N 337.387 1.645 0 40 EDAB Cn1cc(CN2CCCN(C(=O)CCc3ccncc3)CC2)cn1 71864707 JOUTUNHQDLRBCL-UHFFFAOYSA-N 327.432 1.482 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NC(=O)[C@H](C)NC(=O)CC1CCCCC1 71888292 XRIMNRQGFBBKAC-JTQLQIEISA-N 335.408 1.231 0 40 EDAB CCN(C(=O)CSCC(N)=O)[C@H]1CCN([C@@H](C)c2ccccc2)C1 71832919 MAYKNQHNCOHKLY-HOCLYGCPSA-N 349.500 1.889 0 40 EDAB Cc1nc(C2(NCn3nc4ccccn4c3=O)CCCCCC2)no1 71858771 IPTRPUSRNXVKCV-UHFFFAOYSA-N 342.403 1.984 0 40 EDAB C[C@@H]1CN(Cc2cccc(CNC(=O)c3ccc(=O)[nH]c3)c2)CCO1 71827091 OYVORQKNCWVQMY-CQSZACIVSA-N 341.411 1.526 0 40 EDAB COC(=O)Cc1ccc(OS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 16728940 QVXRTFPVILADGM-UHFFFAOYSA-N 349.364 1.269 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cccc4cccnc34)CC2)n1 69371296 KPWQRDGJNKXSCX-UHFFFAOYSA-N 349.394 1.996 0 40 EDAB C[C@@H](c1nc(C2CC2)no1)N1CCN(CCCN2CCCC2=O)CC1 69390232 LFXMFGKXOUAAIW-AWEZNQCLSA-N 347.463 1.638 0 40 EDAB CC1=NN(S(=O)(=O)c2cn(C)nc2C)[C@](O)(C(F)(F)Cl)C1 17071614 DFBBDYFLJYJTKN-SECBINFHSA-N 342.755 1.019 0 40 EDAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 17068242 UZUVKOGEOANYGH-OLZOCXBDSA-N 332.356 1.231 0 40 EDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)OC[C@@H]2C)c1 69454875 XXFJMWYVMOMCRF-VHSXEESVSA-N 346.836 1.498 0 40 EDAB CC(C)(C)c1nc(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cs1 69451997 MOORLYQJJLDXPS-AWEZNQCLSA-N 330.475 1.677 0 40 EDAB Cc1oc(-c2ccco2)nc1Cn1c(-c2ncccn2)noc1=O 69416056 DCRFIEOGYNLGPK-UHFFFAOYSA-N 325.284 1.898 0 40 EDAB O=C(CCN1CCO[C@H](c2ccccc2Cl)C1)N1CCOCC1 69509230 LQBULBMRTWAIAP-INIZCTEOSA-N 338.835 1.962 0 40 EDAB COc1ccc(COC[C@@H](O)CN2CCc3c(ncn3C)C2)cc1 69597974 FSYRIRAUPCOQGJ-HNNXBMFYSA-N 331.416 1.365 0 40 EDAB O=C1C[C@@H](N(C(=O)CSCC(=O)c2ccccc2)C2CC2)C(=O)N1 69532638 FMCQDOWENUSFQS-CYBMUJFWSA-N 346.408 1.009 0 40 EDAB C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H](c2ccccc2)C1 69621236 ZJSYWFIWGZOSAO-HOCLYGCPSA-N 329.444 1.601 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)ccc1=O 69622304 HMIWSUYBJMTAAL-OAHLLOKOSA-N 329.404 1.754 0 40 EDAB NC(=O)CCN(C(=O)c1cccc2c1OCCO2)c1ccccc1 69704809 YTFKUJHRNHFBRY-UHFFFAOYSA-N 326.352 1.980 0 40 EDAB Cn1cc(CN2CCCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)cn1 69738784 LZWLIHVUAJGBRB-SFHVURJKSA-N 340.427 1.458 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C)s2)CC1 69738092 YURZQFQOUDESHO-OLZOCXBDSA-N 342.486 1.700 0 40 EDAB CCN(C(=O)CN(CC1(O)CCCC1)CC1(O)CCCC1)C1CC1 69739657 MKRWNHBBTZMVPI-UHFFFAOYSA-N 338.492 1.910 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3csc(-c4nc[nH]n4)n3)C2)c1 69969140 IPQGVTLWKUAEKI-LLVKDONJSA-N 343.416 1.910 0 40 EDAB C[C@H](C(=O)NCCc1cccs1)N1CCn2c(nnc2C2CC2)C1 83967501 UDGITVDPZSJPJK-GFCCVEGCSA-N 345.472 1.780 0 40 EDAB Cc1ncsc1C(=O)NC1CCN(Cc2nnnn2C(C)C)CC1 84065627 VWTNUAJWERGBMU-UHFFFAOYSA-N 349.464 1.413 0 40 EDAB Cc1ccccc1-c1noc(CN2C(=O)C(=O)N(CC(C)C)C2=O)n1 8944242 BQRCJNDQFXDHQI-UHFFFAOYSA-N 342.355 1.992 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)c3ccnc(OC4CCCCC4)c3)C[C@@H]21 92960206 QTYNGAVYEQRXQK-DLBZAZTESA-N 345.443 1.948 0 40 EDAB CCOCCCNC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 9065417 GVPZREHJUAWLFF-UHFFFAOYSA-N 348.403 1.088 0 40 EDAB COc1ccc2c(ccn2CC(=O)N[C@H](CCSC)C(=O)O)c1 98038006 LSISUWWYGFTZPO-CYBMUJFWSA-N 336.413 1.972 0 40 EDAB Cn1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)cc1=O 95976904 BIYFLQICKSURLA-CQSZACIVSA-N 343.358 1.450 0 40 EDAB CCOc1ccnc(N2CCCN(c3nc(C4CC4)no3)CC2)n1 89272215 LNRKSXINPFXRNS-UHFFFAOYSA-N 330.392 1.852 0 40 EDAB Cc1ccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cn1 89652193 SYFQGWNEAPAEES-GOSISDBHSA-N 325.412 1.539 0 40 EDAB O=C1CCN(C(=O)NC[C@H]2C[C@]23CCCc2ccccc23)CCN1 89858224 FIDZFAVCYKGLOM-DNVCBOLYSA-N 327.428 1.812 0 40 EDAB Cc1cnc(CN2CCCN(Cc3noc(C(C)C)n3)CC2)cn1 75603314 RORRHXICHUPCEY-UHFFFAOYSA-N 330.436 1.999 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)C[C@H]3OCCc4ccsc43)CCO2)n1 76044934 CXGOWKZUZZHCIB-OLZOCXBDSA-N 348.428 1.779 0 40 EDAB CCN1CCN(C2CCN(CC(=O)N[C@H](C)c3ccco3)CC2)C1=O 69871127 ZIMXMIXAHHMKSJ-CQSZACIVSA-N 348.447 1.679 0 40 EDAB Cn1cc(-c2nn(C)cc2C(=O)NC[C@@]23CCC[C@H]2OCC3)cn1 1551042228 FDPIDRIIAWRNAH-PBHICJAKSA-N 329.404 1.510 0 40 EDAB CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 516623582 BPSOJPAOPHBUFP-ZWNOBZJWSA-N 331.424 1.406 0 40 EDAB COCCCNC(=O)c1snc(C(=O)NCc2ccccc2)c1N 33171840 NYIPRDXQLACSBP-UHFFFAOYSA-N 348.428 1.422 0 40 EDAB COc1ccc(-c2ocnc2C(=O)NC[C@H](O)[C@@H]2CCCO2)cc1 529765581 BWQYBOAITIBEEA-KBPBESRZSA-N 332.356 1.620 0 40 EDAB CN(C)c1cccc(C(=O)NCC(C)(C)N2CCS(=O)CC2)c1 79358599 WLNDNVJLLMSJOK-UHFFFAOYSA-N 337.489 1.325 0 40 EDAB CCN(CC(=O)N[C@H](C)COC)S(=O)(=O)c1ccc(Cl)cc1 39985980 NHFHRYBCLXRUJF-LLVKDONJSA-N 348.852 1.502 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCN(c2nc(C3CC3)no2)CC1 76682725 GLXYYWFQWOPKQS-UHFFFAOYSA-N 348.428 1.599 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)NCCn2cc(C)cn2)cc1 36614889 MNSUTTBMPIKDDZ-UHFFFAOYSA-N 338.389 1.348 0 40 EDAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)Cc1ccccn1 72394825 RKJWBTBHIXKZQT-KRWDZBQOSA-N 325.412 1.976 0 40 EDAB COc1ccc(-c2ccc3nnc([C@@H]4CCNC4)n3n2)cc1OC 217558984 VOENMYALFVYTMT-GFCCVEGCSA-N 325.372 1.885 0 40 EDAB Cc1cc(C)nc(N2CCC[C@@H]2c2cc(CCC(N)=O)nc(C)n2)n1 72367152 OAGRGQHTGILZAB-MRXNPFEDSA-N 340.431 1.951 0 40 EDAB Cc1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)no1 72241769 CDPSTKPLSSXNJN-LSDHHAIUSA-N 333.319 1.659 0 40 EDAB Cc1ccccc1C1(CNC(=O)CCCN2C(=O)CNC2=O)CC1 78979600 MAHDDONHXOOXMT-UHFFFAOYSA-N 329.400 1.475 0 40 EDAB Cc1nnc(CN(C)CC(=O)N2CCc3cc(F)ccc3[C@H]2C)n1C 73880949 BLOKSUCJAFXLNU-GFCCVEGCSA-N 345.422 1.840 0 40 EDAB C[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H](c2ccccc2)O1 63198568 JWGPRVRFJUBPRF-UKRRQHHQSA-N 326.418 1.025 0 40 EDAB NCC1(CN)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 218453943 IEPPVTRWAMIYKW-HZPDHXFCSA-N 334.416 1.669 0 40 EDAB CN1CCN(CCCNC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 89223611 KAMNGPZTVSRJSW-MRXNPFEDSA-N 340.512 1.471 0 40 EDAB CCOC[C@@H]1CN(C(=O)N[C@@H](C)c2nnc3n2CCCC3)CCO1 527818088 ASBNQNCCVMOWJW-STQMWFEESA-N 337.424 1.122 0 40 EDAB O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)NC[C@@H]1CCCO1 75165380 AAJSMOKCHPTINN-HNNXBMFYSA-N 342.399 1.207 0 40 EDAB COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(Cc2coc(C)n2)C1=O 569093305 XBCHIZMKJHSWHP-QGZVFWFLSA-N 327.340 1.885 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)N1CCN(C[C@@H](O)c2ccco2)CC1 85436749 SGJPPDTWXWVIQX-DOTOQJQBSA-N 344.411 1.925 0 40 EDAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(=O)c(OC)cn1C 49547399 SZRRYMQPHYANFG-UHFFFAOYSA-N 345.355 1.613 0 40 EDAB O=C(O)c1cn(C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)nn1 576173509 SKOXUKBYDHMYER-UHFFFAOYSA-N 340.383 1.942 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 195530990 MJCMGHMNELNXMX-UPJWGTAASA-N 342.509 1.780 0 40 EDAB COc1ccc(S(=O)(=O)N2Cc3nc(CN(C)C)oc3C2)cc1 96260257 KPEPIQRJFKQLOD-UHFFFAOYSA-N 337.401 1.449 0 40 EDAB C[C@@H](OCc1ccccc1)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1 96426676 OQEUIAROTJBGDF-INMHGKMJSA-N 330.428 1.919 0 40 EDAB Cn1cc(CN2CC[C@@]3(C[C@@H](NC(=O)N4CCCC4)CCO3)C2)cn1 96209122 SOVCQGSSKKHADE-FUHWJXTLSA-N 347.463 1.349 0 40 EDAB COc1ccc2c(c1)C1(CC1)CN(C(=O)N[C@H]1CC[S@](=O)C1)C2 583598169 FUIFVPDWGINGFE-NPMABZOXSA-N 334.441 1.773 0 40 EDAB Cc1nnc(NC(=O)c2cccc(OCc3nnnn3C)c2)s1 96101328 YYUJPTNVPIHEGO-UHFFFAOYSA-N 331.361 1.201 0 40 EDAB Cc1nc(N2CCN(C(=O)NCc3nccn3C)CC2)sc1C 96484054 JEKMLMAHPPNCTC-UHFFFAOYSA-N 334.449 1.525 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCCc2cscn2)[C@H]1c1cccnc1 96419974 ZCFRZNOISVZJSH-UKRRQHHQSA-N 330.413 1.416 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3ccncc3)C[C@@H]12)N1CCOCC1 96040844 HEBFIIHURIOXHS-KURKYZTESA-N 345.443 1.025 0 40 EDAB COc1ccc(CNC(=O)N2CCN(c3ncncc3C)CC2)cc1 96024453 HVTKLFJHSKZDJT-UHFFFAOYSA-N 341.415 1.825 0 40 EDAB CCS(=O)(=O)N(C)CC(=O)NCc1oc2ccc(F)cc2c1C 96454232 PQEGHZMOUYRICR-UHFFFAOYSA-N 342.392 1.778 0 40 EDAB CCOC[C@@H]1C[C@@]2(COCCN2C(=O)c2ccc(OC)cc2)CO1 96240729 SVSBMLVLVDJZDW-FUHWJXTLSA-N 335.400 1.732 0 40 EDAB COc1ccc2nc3n(c2c1)[C@@H](CNC(=O)C1CCOCC1)COC3 96112581 AESUUJARGWEHFT-ZDUSSCGKSA-N 345.399 1.659 0 40 EDAB biogenic,in-vitro COc1ccc(C[C@H]2CN(C(C)=O)CC[C@@H]2OCC(=O)N(C)C)cc1 96218938 MMJUEOSJQVAHBV-WMZOPIPTSA-N 348.443 1.580 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCn2cc(Cn3cncn3)nc2C1 96197370 OZGRDRZVHAEWDC-UHFFFAOYSA-N 340.362 1.247 0 40 EDAB CCN(C)c1ncnc2c1CCN(C(=O)c1cccc(C)n1)CC2 96058808 XYOXHEOOEKCNKV-UHFFFAOYSA-N 325.416 1.877 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 96430609 ZEMZDSFHGHQVCX-STQMWFEESA-N 325.376 1.303 0 40 EDAB CC(C)[C@H](NC(=O)NC[C@@](C)(O)c1cnn(C)c1)c1ccccn1 96421617 KLYBOBXPWIEEOF-DOTOQJQBSA-N 331.420 1.719 0 40 EDAB O=C(CCN1CCC[C@@H](N2CCNC2=O)C1)NCc1ccc(F)cc1 96443288 BTQSMUJHHDRURN-MRXNPFEDSA-N 348.422 1.322 0 40 EDAB CC(C)(C)CN1CCC[C@@H](N2CC[C@H](c3cc(O)nc(O)n3)C2)C1=O 583652012 YAORBJZYGYYOET-GXTWGEPZSA-N 348.447 1.714 0 40 EDAB Cc1nnc([C@@H]2CN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)CCO2)o1 583623012 KVBDBURMWUDNHC-HOTGVXAUSA-N 343.383 1.898 0 40 EDAB O=C1CN(Cc2cc(Br)c(Br)[nH]2)CCN1 583651127 HVJWKBKGOBUGJM-UHFFFAOYSA-N 337.015 1.472 0 40 EDAB O=C(CC[C@H]1CCCO1)NCCNc1nccc(C(F)(F)F)n1 96414552 GBMZHRZFGTYGPB-SNVBAGLBSA-N 332.326 1.983 0 40 EDAB Cc1nc(CN2C(=O)CO[C@@H]3CN(C(=O)c4ccoc4)C[C@H]32)cs1 96081618 OILOUZKHCFRUPB-ZIAGYGMSSA-N 347.396 1.297 0 40 EDAB O=C(NC[C@H]1CN(c2ccccc2)C(=O)O1)c1cc2n(n1)CCCO2 90626814 FBLZTKLHBAFCOE-ZDUSSCGKSA-N 342.355 1.421 0 40 EDAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H](C)Oc1cccnc1)CC2 247227348 OPPAFQPTHXAARW-NUEKZKHPSA-N 334.416 1.627 0 40 EDAB O=C(NCCc1c[nH]cn1)c1cnc(O[C@H]2CCOC2)c(Cl)c1 245187653 ZSHPFBBOYSLFHW-LBPRGKRZSA-N 336.779 1.598 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H]1c1ccnc(O)n1 257251920 JSVVTLZTBAIELH-CYBMUJFWSA-N 327.340 1.931 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)Cc2cccnc2)C1 257227947 FRRHAEKOXKZQNJ-OAHLLOKOSA-N 325.416 1.937 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3cc[nH]n3)CC2)C[C@@H](O)C1(C)C 257334127 YEQQFKGWFNYVKE-CQSZACIVSA-N 334.420 1.024 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H]2[C@H]1CCCCN2C 257344774 ZYQCNJNIGXPOGZ-ZIAGYGMSSA-N 326.466 1.664 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](c2ccnc(O)n2)C1 257223440 DXJDCFSXUGLKFZ-GFCCVEGCSA-N 327.340 1.931 0 40 EDAB Cc1cscc1CNC(=O)NCC1(OCCO)CCOCC1 252478432 AMESHXKYHKWNKB-UHFFFAOYSA-N 328.434 1.414 0 40 EDAB Cc1[nH]nc(I)c1C(=O)N1C[C@@H](O)C[C@@H](C)C1 585132145 PEOVMXMGXZLQKE-SVRRBLITSA-N 349.172 1.166 0 40 EDAB CO[C@@H](CS(=O)(=O)N=c1cc[nH]c2cccnc12)C1CCCC1 585129103 YBJYBELSDSKJOU-HNNXBMFYSA-N 335.429 1.999 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)N1Cc2ccccc2NC(=O)[C@@H]1C 585122540 XAFMNHBUOSNJSJ-KCQAQPDRSA-N 332.400 1.940 0 40 EDAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 257324445 WOSIVCYUTSEMMF-GFCCVEGCSA-N 336.421 1.118 0 40 EDAB CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)C3CCC3)C2)ncn1 257283929 PAMZDWPQQMVRDU-CYBMUJFWSA-N 330.432 1.760 0 40 EDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1 253478822 NGCCPQFIVDFBDY-GFCCVEGCSA-N 333.417 1.762 0 40 EDAB Cc1cccc(C(=O)N2CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)c1 257267571 MHWOHSQRCWNBPX-ROUUACIJSA-N 331.460 1.208 0 40 EDAB CCOCC(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1 257337815 YUNJBLCEANQNCL-KRWDZBQOSA-N 333.432 1.614 0 40 EDAB CCN1C(=O)C[C@H](C(=O)NC2CCOCC2)[C@H]1c1nccn1CC 1615548685 IKFXFNDUPPGEKO-ZFWWWQNUSA-N 334.420 1.108 0 40 EDAB CN(Cc1nccn1CC(F)(F)F)C(=O)c1cnn2c1CCC2 1616043732 FZVGLWNUKFBRTQ-UHFFFAOYSA-N 327.310 1.860 0 40 EDAB COC1(CO)CCN(c2nnnn2Cc2cccc(Cl)c2)CC1 1616034090 WKXORBAWYJXAAN-UHFFFAOYSA-N 337.811 1.353 0 40 EDAB Cc1cccc(C(=O)N2CC3(C[C@@H](OCC(=O)N(C)C)CS3)C2)c1 575404211 QXSOYDSJCWSVEJ-OAHLLOKOSA-N 348.468 1.800 0 40 EDAB O=C(CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)NCc1ccco1 26947332 GIQWCPOCHOQHBK-CQSZACIVSA-N 334.759 1.669 0 40 EDAB CCCC(=O)N1Cc2cncn2[C@@H](C(=O)NCCc2cccs2)C1 585096031 NNCACFYTHWELHE-OAHLLOKOSA-N 346.456 1.987 0 40 EDAB CCN(C(=O)CN1C(=O)N[C@](C)(COC)C1=O)C1CCCCC1 66084009 MMPXDWUMVGSHTL-MRXNPFEDSA-N 325.409 1.125 0 40 EDAB Cc1cccc(C)c1NC(=O)Cn1c(C)cc(C)c(C(N)=O)c1=O 32859763 BIFZEMHMBWDDTQ-UHFFFAOYSA-N 327.384 1.820 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)[C@H](C)Oc3ccc(F)cc3)C2)n1 1775995326 NZRKBQADGKJBBF-ZDUSSCGKSA-N 345.374 1.617 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)[C@@H]1Cc3cc(Cl)ccc3O1)CC2 97198233 MBFLICQOGLUVLL-OCCSQVGLSA-N 346.818 1.929 0 40 EDAB CS(=O)(=O)c1snnc1C1CCN(C(=O)C2CCC2)CC1 12121388 GNVIUEVMCFLKJG-UHFFFAOYSA-N 329.447 1.448 0 40 EDAB Cc1cc(-c2cc(=O)n(CC(N)=O)nc2-c2ccc(C)s2)on1 12156236 ZHZKQZZBDAJOKG-UHFFFAOYSA-N 330.369 1.729 0 40 EDAB C/C=C/Cn1c(-n2nc(CC)cc2CC)nc2c1c(=O)[nH]c(=O)n2C 12518782 NDNWNZYQUGTHGJ-VMPITWQZSA-N 342.403 1.310 0 40 EDAB O=C(NC1CCCCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 15634004 DAIDZVQBTJFRJM-UHFFFAOYSA-N 337.445 1.713 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2cncn2-c2ccc(F)cc2)n1 10376450 HBCIPOLHEWNJOU-UHFFFAOYSA-N 345.359 1.748 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)NC(C)C)C[C@@H]4C3)n1)CCC2 1888863552 PFPFIWULKNMDGE-KBPBESRZSA-N 329.448 1.760 0 40 EDAB C[C@@H](C(=O)NCc1ccncc1)n1nc(C(F)(F)F)ccc1=O 1888901212 VIZLMKYUGCYPBG-VIFPVBQESA-N 326.278 1.535 0 40 EDAB CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)NC2CCCC2)n1 16050912 ZMTAQDKZPHUQDF-UHFFFAOYSA-N 338.433 1.583 0 40 EDAB CN1C[C@@]2(CCN(C(=O)CCc3ccccc3F)C2)COCC1=O 2037985564 OAGZGQWEFYOWEG-GOSISDBHSA-N 334.391 1.466 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(C(=O)C3(F)CC3)C[C@@H]2O1 1565549632 XBVBCFVCBHBYDW-YUTCNCBUSA-N 333.363 1.528 0 40 EDAB CCOC(=O)c1c(N(C)C)ncc2c1CCN(C(=O)[C@H]1CCOC1)C2 1565553786 JCWSHIXPHPCDNN-LBPRGKRZSA-N 347.415 1.246 0 40 EDAB O=C(CCc1cncnc1)N1C[C@@H]2CCN(Cc3cccnc3)[C@@H]2C1 1565542172 AUFGLXCKSQHNRW-ZWKOTPCHSA-N 337.427 1.537 0 40 EDAB O=C1N=C(c2ccccc2)N[C@@]12CC[C@@H]1CN(Cc3cn[nH]c3)C[C@@H]12 2055714911 YMSHYKHSNUNZAJ-JTDSTZFVSA-N 335.411 1.567 0 40 EDAB O=C(Cn1ccn(C2CCCCC2)c(=O)c1=O)NCc1cccs1 1775968711 SFVUZIVWHJSBTC-UHFFFAOYSA-N 347.440 1.893 0 40 EDAB O=S(=O)(c1cccnc1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575611982 HVHNGNUHBVNBMD-GFCCVEGCSA-N 338.364 1.243 0 40 EDAB Cn1ccc([C@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)n1 575617094 YFTJVKRDDYLJOA-AWEZNQCLSA-N 337.387 1.416 0 40 EDAB COc1ccc2c(C)cc(N3CC(C(=O)N4CCOCC4)C3)nc2c1 2298215357 FBOOLDNJSBGKHL-UHFFFAOYSA-N 341.411 1.847 0 40 EDAB COC(=O)CC[C@@H](NC(=O)N1CCCc2ccccc21)C(=O)OC 13548509 OJPZGCCWMFZMJW-CYBMUJFWSA-N 334.372 1.644 0 40 EDAB COC(=O)c1oc(COC(=O)c2n[nH]c(=O)c3ccccc23)cc1C 30833979 XAKMZLGMJNITIP-UHFFFAOYSA-N 342.307 1.968 0 40 EDAB COc1ncccc1CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 31285349 ADXHCUPHRGKHSQ-AWEZNQCLSA-N 340.383 1.150 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)cn1 40479752 IMTDBBPVJMUVLF-NSHDSACASA-N 327.340 1.843 0 40 EDAB Cc1cccc(-n2ncc(C(=O)N[C@H]3CCCCNC3=O)c2C)c1 40521892 YVGMWHKGWFQBQI-INIZCTEOSA-N 326.400 1.888 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 40527687 KRTLICLDUQPBTD-CYBMUJFWSA-N 348.428 1.318 0 40 EDAB CC(C)(C)c1nnnn1CC(=O)Nc1ccc(N2CCOCC2)cc1 40554252 WPGOPYWVBYUCDL-UHFFFAOYSA-N 344.419 1.446 0 40 EDAB COc1ccccc1OCCN(C#N)c1nc(Cl)nc(N(C)C)n1 267488 OPYCICUZCTZUKH-UHFFFAOYSA-N 348.794 1.966 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)nc(C(C)C)n1 32272208 HSHNHOGVNQXFHE-AWEZNQCLSA-N 345.447 1.035 0 40 EDAB C[C@H]1CN(C(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)C[C@H](C)O1 51991843 GTTQLZASBNOHFQ-RYUDHWBXSA-N 344.419 1.205 0 40 EDAB C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)c1cc2ccccc2o1 42106281 JTWHNQVWSQJCJW-GFCCVEGCSA-N 336.413 1.340 0 40 EDAB CCOc1ccc(CN(C)C(=O)C2=NN(C)C(=O)CC2)cc1OC 23038565 SUWCEOJJMHKSQH-UHFFFAOYSA-N 333.388 1.661 0 40 EDAB CC[C@H](C)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23447287 KIUPQWXPRRUYSO-LBPRGKRZSA-N 334.445 1.446 0 40 EDAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2)n2nnnc2N1 65644 BVBHJMHQNMQWFY-HNNXBMFYSA-N 333.355 1.996 0 40 EDAB CC(C)(C)OC(=O)N1CCC(C(=O)NCCNC(=O)C2CC2)CC1 23791286 COXOTXPTVNLOIT-UHFFFAOYSA-N 339.436 1.276 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cc(C(N)=O)cs3)CCO2)n1 78890264 KQEXNEMGFHSKSA-JTQLQIEISA-N 349.416 1.131 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C(=O)CC[C@@H]3CCCCO3)C2)n[nH]1 78901643 URERUZOWGWVODI-STQMWFEESA-N 334.420 1.564 0 40 EDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)NCCNC(C)=O)c1 43141262 PRTWNLHBFXRBKD-OAHLLOKOSA-N 335.404 1.686 0 40 EDAB Cc1cc(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)[nH]n1 78972476 REGFZEFEOBETNP-UHFFFAOYSA-N 341.415 1.287 0 40 EDAB Cn1nnc2cc(CNC3CCN(C(=O)c4ccoc4)CC3)ccc21 79093446 QWMSRTLVGFVDDF-UHFFFAOYSA-N 339.399 1.956 0 40 EDAB CSc1nnc([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)n1C 4932469 QRTRUXCXMRHVPM-CYBMUJFWSA-N 331.445 1.881 0 40 EDAB Cc1ccc(C)c(OC2CCN(C(=O)Cn3cccnc3=O)CC2)c1 56335722 GCERZTQDPWFJQY-UHFFFAOYSA-N 341.411 1.930 0 40 EDAB Nc1nnc(SCc2cc(=O)n3nc(C(F)(F)F)nc3[nH]2)s1 100071753 JRCWCULVEZSLLA-UHFFFAOYSA-N 349.323 1.162 0 40 EDAB CC(C)CN(CC(N)=O)CC(=O)N[C@@H](C)c1cccc(Cl)c1 26126244 NNLDVKXNQYERRA-LBPRGKRZSA-N 325.840 1.961 0 40 EDAB C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)COc1cccc(C(N)=O)c1 95398125 PRRFBGINFLVDRU-UKRRQHHQSA-N 331.416 1.250 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 10044259 ZHMFDWVWXZSHMG-OAHLLOKOSA-N 332.381 1.394 0 40 EDAB Cc1nc(-c2c[nH]c(C(=O)NC[C@@H]3CCS(=O)(=O)C3)c2)cs1 44721164 JXEUWJULJMYNIN-JTQLQIEISA-N 339.442 1.611 0 40 EDAB CC1CCN(C(=O)[C@@H](C)[S@](=O)Cc2cccc(C(N)=O)c2)CC1 84697926 GGTJIIKPIDCNSV-ZLOXQWCVSA-N 336.457 1.681 0 40 EDAB O[C@@H](COc1ccc(F)cc1)CN1CCN(c2ncccn2)CC1 24951934 DJZSECHCFUQSAT-OAHLLOKOSA-N 332.379 1.178 0 40 EDAB COc1ccccc1N1CCN(C(=O)NCCCn2ccnc2)CC1 44891150 QOIITSJGVOCHAH-UHFFFAOYSA-N 343.431 1.814 0 40 EDAB CCN1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1 58289860 NASFWWCCPQHKRT-UHFFFAOYSA-N 334.445 1.258 0 40 EDAB CC(C)OCc1ccccc1CNC(=O)N[C@@H]1CCS(=O)(=O)C1 44946170 IDRIXCFREUQBJV-OAHLLOKOSA-N 340.445 1.598 0 40 EDAB O=C(NCCN1CCOCC1)NC[C@H](c1ccco1)N1CCCC1 44946650 DTTIURPXNDXMDG-OAHLLOKOSA-N 336.436 1.048 0 40 EDAB O=C(Nc1ncccn1)C1CCN(C[C@H](O)c2cccc(F)c2)CC1 58342833 XFJWYAHHHODMIF-INIZCTEOSA-N 344.390 2.000 0 40 EDAB C[C@@H](Nc1ccc(NC(=O)c2ccco2)cc1)C(=O)N1CCNC1=O 26987199 LGXONGDLTOEBKR-LLVKDONJSA-N 342.355 1.884 0 40 EDAB CC(=O)NCc1ccc(C(=O)OCc2ncnn2CC(C)C)cc1 95467932 CVHCGFOIOBZEPH-UHFFFAOYSA-N 330.388 1.927 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O 2572341 LMVZKASXYQOUSK-ZDUSSCGKSA-N 336.388 1.889 0 40 EDAB COc1cccc2c1N(CC(=O)NC1CCN(C(C)=O)CC1)CCC2 46598708 OWLRGBMRGGWLCI-UHFFFAOYSA-N 345.443 1.575 0 40 EDAB Cn1c(CSc2nc(CCC3CCCC3)n[nH]2)cc(=O)n(C)c1=O 12154231 SXBFZJIBKQVKNT-UHFFFAOYSA-N 349.460 1.617 0 40 EDAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)CN1CCOCC1)c1cccs1 46884683 FXFOOJVNEJMGJO-JSGCOSHPSA-N 339.461 1.152 0 40 EDAB COc1ccc(CCC(=O)N2CCN(C(=O)NC3CC3)CC2)cc1 62123659 IOCVXHGQAFJVKI-UHFFFAOYSA-N 331.416 1.644 0 40 EDAB Cn1ccnc1[C@@H](NC(=O)NC[C@@H]1CCOC1)c1ccccc1F 48256039 ZFAZHMBQHLMTFY-WFASDCNBSA-N 332.379 1.984 0 40 EDAB CCNC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10338589 YOSBEIVVJXRVNF-VIFPVBQESA-N 334.825 1.639 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)NCCn2ccnc2)ccc1F 69717180 HUROJXSTIVCQMN-UHFFFAOYSA-N 330.327 1.128 0 40 EDAB Cc1cc(N[C@@H](C)c2cccc(S(N)(=O)=O)c2)n2ncnc2n1 48309762 WONVNISYQJVKDA-JTQLQIEISA-N 332.389 1.253 0 40 EDAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)Cn1c(=O)ccn(C)c1=O 13008666 QPHIGBXTJQWJLF-OAHLLOKOSA-N 346.427 1.593 0 40 EDAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)NC(C)(C)C2=O)n1 4297142 BFXWZPMKGBKKQX-UHFFFAOYSA-N 341.375 1.336 0 40 EDAB COc1ccccc1Nc1nc(N2CCOCC2)c2cnn(C)c2n1 4272788 OWMAKGAVHLWHDT-UHFFFAOYSA-N 340.387 1.952 0 40 EDAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NC1CC1 9377782 SAAPTZWFIMSFMG-UHFFFAOYSA-N 341.396 1.480 0 40 EDAB CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)Cc1cc(Cl)cn1C 89272324 SYFCDHJOYUXPLC-SNVBAGLBSA-N 335.857 1.643 0 40 EDAB c1nc2c(c(N3CCOCC3)n1)CN(Cc1nnc(C3CC3)o1)CC2 65513463 NFWTWVJOHKBQCM-UHFFFAOYSA-N 342.403 1.132 0 40 EDAB CSc1nc2ncnc(N3CCN(c4cnccn4)CC3)c2s1 65521641 PZBCJZSJXGKQEW-UHFFFAOYSA-N 345.457 1.925 0 40 EDAB CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)CC1 65622323 OFBUXWUHXGJXDC-HNNXBMFYSA-N 343.493 1.298 0 40 EDAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 65621671 AWUXDXNIHWRYSX-UHFFFAOYSA-N 344.396 1.959 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCN(Cc2ccon2)CC1)c1ccco1 73443340 DLXYGFUBQHPYNY-OAHLLOKOSA-N 347.419 1.398 0 40 EDAB NC(=O)[C@H](NC(=O)CCc1nc(-c2ccco2)no1)c1ccccc1 71796185 NMBRXOHOSVNXHF-OAHLLOKOSA-N 340.339 1.605 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cnnn2-c2ccccc2Cl)CC1 71871418 FJWJCKREZRBADT-LBPRGKRZSA-N 349.822 1.059 0 40 EDAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](N2CCNC2=O)C1 71830579 SEJGISDSPWBSMS-INIZCTEOSA-N 340.427 1.966 0 40 EDAB Cn1cc(C(=O)NCCCC(=O)N2CCc3ccccc32)ccc1=O 71896832 KNCSSHKRBGYNRM-UHFFFAOYSA-N 339.395 1.485 0 40 EDAB CC(C)CNC(=O)NC(=O)CN1CCC[C@@H]1Cn1ccnc1C(C)C 71911958 VJLBEHHKJZJGDZ-OAHLLOKOSA-N 349.479 1.953 0 40 EDAB CCCc1c(C(=O)NCCn2cnnc2CC)[nH]c(C)c1C(=O)OC 71916774 UNDQQGLTYZMURT-UHFFFAOYSA-N 347.419 1.646 0 40 EDAB O=C1[C@@H](N2CCC[C@H](N3CCNC3=O)C2)CCN1c1ccccc1F 71900513 LLWJIVZLHVCIQB-BBRMVZONSA-N 346.406 1.421 0 40 EDAB CN(C)CCNC(=O)c1ccc(CNC(=O)c2ccccc2O)cc1 69381335 CHDLFXTVOMILBU-UHFFFAOYSA-N 341.411 1.614 0 40 EDAB CC1CCC(C)(NC(=O)CNC2=NS(=O)(=O)c3ccccc32)CC1 69384487 NMBWGARZXJFSTC-UHFFFAOYSA-N 349.456 1.810 0 40 EDAB Cc1nccn1CCCNC(=O)N1CCC[C@H](CN2CCOCC2)C1 69929126 MLZYIQDNYHZJNL-QGZVFWFLSA-N 349.479 1.335 0 40 EDAB C[C@@H](Cn1cccn1)NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 69417276 FADNOUPVEUIPHT-UONOGXRCSA-N 341.415 1.625 0 40 EDAB Cn1cc(CN2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)cn1 69433051 GZRGSBIYJJJPSH-UHFFFAOYSA-N 342.399 1.497 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)[C@@H](NC(C)=O)C(C)C)n1 9857623 ZWGRDGXTICYKOF-LBPRGKRZSA-N 327.406 1.348 0 40 EDAB Cc1ccc(F)c2c1N(CC(=O)N[C@H]1CCS(=O)(=O)C1)CCC2 69589451 GIYUVWUMARMHEA-LBPRGKRZSA-N 340.420 1.190 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2Cc2cccc(OCC(N)=O)c2)n1 69513889 UENWFABMHICANE-MRXNPFEDSA-N 343.431 1.424 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N[C@@H]1CCCc3ccccc31)C2 69585897 NPVCXDHCJSLITP-MRXNPFEDSA-N 325.416 1.596 0 40 EDAB Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91758388 DVNHCPQFUHDPSV-FZMZJTMJSA-N 349.337 1.350 0 40 EDAB CN(Cc1ccccc1)C(=O)CN1CCCC[C@H]1Cn1cncn1 69654154 NXSTVFLPCPWJHQ-KRWDZBQOSA-N 327.432 1.791 0 40 EDAB CCc1nnc2n1C[C@@H](CNCc1nc(-c3ccco3)no1)CC2 69661235 BGDDMNJWQMUPPA-LLVKDONJSA-N 328.376 1.836 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2C)C1 97051733 VRUWTKKNAACYGH-QGZVFWFLSA-N 348.472 1.694 0 40 EDAB Cc1nc2nc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)nn2c(O)c1Cl 18054357 QDRBPVDAWVXMFC-YUMQZZPRSA-N 333.735 1.247 0 40 EDAB CCCOc1cccc(C(=O)OCCN(C)S(=O)(=O)N(C)C)c1 69807859 SQOHFNUBALKMKX-UHFFFAOYSA-N 344.433 1.370 0 40 EDAB O=C(CN1CCCS1(=O)=O)N1CCC[C@H]1Cc1cccc(F)c1 69847335 URZBKUCCQFZYTJ-HNNXBMFYSA-N 340.420 1.395 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(c3ncnc4sccc34)CCO2)n1 72276517 IKWSRRSCIOBDJZ-LBPRGKRZSA-N 330.417 1.805 0 40 EDAB COc1cccc2c1OC[C@@H](C(=O)N[C@H]1CCc3nc(C)cn3C1)C2 72235898 XICKWSPCCBKOIG-GJZGRUSLSA-N 341.411 1.882 0 40 EDAB CCc1ccc(C(=O)NC[C@@H](C)C(=O)NCCCc2c[nH]nc2C)o1 72285335 MQGYVFIVNISTLH-GFCCVEGCSA-N 346.431 1.988 0 40 EDAB COC(=O)c1sccc1NC(=O)Cn1c(=O)cnc2ccccc21 19299324 ANHBTXGRUIUYMK-UHFFFAOYSA-N 343.364 1.883 0 40 EDAB Cc1cc(Br)ccc1CC(=O)N[C@H]1CCN(C(N)=O)C1 95995212 BKJGVBOAAZUCEJ-LBPRGKRZSA-N 340.221 1.569 0 40 EDAB O=C(CNC(=O)c1cnccn1)Nc1nc(-c2ccncc2)cs1 72402458 AGGOACYTDKIXPL-UHFFFAOYSA-N 340.368 1.364 0 40 EDAB NC(=O)CCn1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)n1 75140500 WWKJGBMKRMLLCM-UHFFFAOYSA-N 330.363 1.958 0 40 EDAB Cc1cccc(OCCSCC(=O)N[C@H]2CCCCNC2=O)c1 89677776 XSWUTUQGYIVEGN-HNNXBMFYSA-N 336.457 1.892 0 40 EDAB C[C@H]1CN(C(=O)c2coc(Br)c2)C[C@@H]1N1CCOCC1 76054712 BSTIPUROFJVNOF-JQWIXIFHSA-N 343.221 1.835 0 40 EDAB Cc1ccc(CN(C)C(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)o1 76558939 DEQGNDGTQHGMOD-UHFFFAOYSA-N 348.424 1.996 0 40 EDAB CC(C)C[C@@H](C)Oc1cc(CNC(=O)N2CCNC(=O)[C@@H]2C)ccn1 111871706 HFAKRJRYFSANRQ-KGLIPLIRSA-N 348.447 1.925 0 40 EDAB C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 4480830 FYFGEWYFSABBCF-XSUJLISDSA-N 333.727 1.871 0 40 EDAB CCCNC(=O)CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1 20595228 UJXVOOXPQRRCLU-UHFFFAOYSA-N 343.412 1.727 0 40 EDAB COCCC(=O)N[C@H]1C[C@@H](c2nc(Cc3ccccc3)no2)N(C)C1 20464243 PJWSUUIPCXTEIZ-GJZGRUSLSA-N 344.415 1.558 0 40 EDAB biogenic,in-vitro O=C(O)[C@H](CNS(=O)(=O)N1CCCC1)Cc1cccc(Cl)c1 548533760 ISCQDOJMFJSHAB-LBPRGKRZSA-N 346.836 1.514 0 40 EDAB Cn1c(=O)n(C)c2cc([C@@H]3NCC[C@@]34C(=O)Nc3ccccc34)ccc21 61719507 DGPMUVKHRQGELD-PXNSSMCTSA-N 348.406 1.802 0 40 EDAB CCOc1ccc(CNCC2(O)CCS(=O)(=O)CC2)cc1Cl 519765567 KKGTVTXRXKMJGI-UHFFFAOYSA-N 347.864 1.768 0 40 EDAB CC(C)CCN1CCN(S(=O)(=O)c2cccc3nonc23)CC1 32578961 UORSFNCZLPZJMI-UHFFFAOYSA-N 338.433 1.575 0 40 EDAB Cc1cnn(CCC(=O)NCCNC(=O)c2c(F)cccc2F)c1 79033396 CKNLEIAZUVQWCC-UHFFFAOYSA-N 336.342 1.406 0 40 EDAB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc(C)c1 71980224 OBJMTKHWXNMYMA-HNNXBMFYSA-N 332.400 1.733 0 40 EDAB Cc1cc(N2CCN(C(=O)NCCOc3ccccc3)CC2)ncn1 75166371 FSXYUFSWADFLQL-UHFFFAOYSA-N 341.415 1.696 0 40 EDAB Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NCCCO)ccc21 36365581 RMASSHDLIYTQDA-UHFFFAOYSA-N 344.293 1.029 0 40 EDAB CC(=O)N1CC[C@H](CNC(=O)c2cc(Cc3ccccc3)[nH]n2)C1 566353636 KKIYSWLCYUCDFR-OAHLLOKOSA-N 326.400 1.599 0 40 EDAB O=C(NCCCNc1ncccn1)[C@@H]1CCCN1c1nccs1 71896102 AKIGLLDBSKGTOO-LBPRGKRZSA-N 332.433 1.520 0 40 EDAB CCCOCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1O 48356588 DLWUZQFPHQTALO-UHFFFAOYSA-N 344.433 1.788 0 40 EDAB O=C(NCCN1C(=O)CCCC1=O)[C@H]1CC[C@H]1c1ccc(F)cc1 528677446 BHZJFGJRRNICTL-GJZGRUSLSA-N 332.375 1.975 0 40 EDAB Cc1ccc(F)c(CC(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1 570366431 DUHJFSLEGHCQFZ-RKVPGOIHSA-N 334.391 1.619 0 40 EDAB CCn1ccnc1CN(C(=O)CC1(CN)CC1)[C@H]1CC12CCNCC2 570451410 MEASBAZLJSLORE-HNNXBMFYSA-N 345.491 1.503 0 40 EDAB O=C(NCC[C@H](O)C1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 77108493 YDVYCNBKUSXSKJ-LBPRGKRZSA-N 330.306 1.921 0 40 EDAB NC(=O)c1ccc(C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 573253644 XIDHOTGYVLQJOL-CALCHBBNSA-N 335.407 1.994 0 40 EDAB Cc1ccc(CNC(=O)COCc2nc(-c3cccnc3)no2)o1 96182107 OUMAMNXRKMWEKF-UHFFFAOYSA-N 328.328 1.866 0 40 EDAB c1ccc(NCc2cnc3n2CCN(C[C@H]2CCOC2)CC3)nc1 96197123 OBLWTXJPCLQMBD-OAHLLOKOSA-N 327.432 1.785 0 40 EDAB C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N(C)Cc1ccc(F)cc1Cl 97235089 CWGOGBSKRMYZNQ-XPTSAGLGSA-N 342.798 1.713 0 40 EDAB O=C1CO[C@]2(COCCN(Cc3ccco3)C2)CN1c1ccoc1 96051389 ULILUYLAIWNEIW-KRWDZBQOSA-N 332.356 1.507 0 40 EDAB c1coc(CN2CCC[C@]3(COCCN(Cc4c[nH]nn4)C3)C2)c1 96049494 OQHBSEDUPYUPQC-KRWDZBQOSA-N 331.420 1.512 0 40 EDAB CCCCN(C)C[C@@H]1OC[C@H](NC(=O)c2ccc(OC)cc2)[C@H]1O 514288345 AFJUQIPHKAORCU-YESZJQIVSA-N 336.432 1.285 0 40 EDAB biogenic,in-vitro CCOCCCNC(=O)c1ccc2ccc(N3CCN(C)CC3)n2c1 96038363 VAFCMWNSWYQXNC-UHFFFAOYSA-N 344.459 1.848 0 40 EDAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1cccs1 96062113 RCIAMQVBOUKKJN-NSHDSACASA-N 328.401 1.801 0 40 EDAB Cc1nc(C(=O)N[C@@H]2CC[C@@H](C(F)(F)F)N(C)C2)c(=O)[nH]c1C 583619700 KVRLKFXONSZQAU-ZJUUUORDSA-N 332.326 1.142 0 40 EDAB Cc1nnc(CN2CCC[C@](O)(c3cn(C(C)C)nn3)C2)n1C1CC1 583617878 CRPVOTQSOGSUBB-QGZVFWFLSA-N 345.451 1.577 0 40 EDAB Cn1cc(CN2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccco3)C2)cn1 96038790 JJRHLNABJNBNRE-SJLPKXTDSA-N 344.415 1.311 0 40 EDAB C[C@@H](NC(=O)CN1CCO[C@H](c2nncn2C)C1)c1ccccc1 583619701 LJZHLNTWBYEYMG-HIFRSBDPSA-N 329.404 1.066 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(C3CCOCC3)C[C@@H]2C)sn1 583651092 FJOYSRAPKVBMGO-LBPRGKRZSA-N 345.490 1.325 0 40 EDAB Cn1cc(CN2CCO[C@@H]3CN(C(=O)c4cccs4)C[C@@H]3C2)cn1 96209290 OKSJHWVZXNBXPB-LSDHHAIUSA-N 346.456 1.455 0 40 EDAB Cc1cc(CN2CC[C@H]3C[C@H](C(=O)NCc4ccco4)O[C@H]3C2)no1 96043258 DWBQJTYSIFWFLA-XKQJLSEDSA-N 345.399 1.872 0 40 EDAB CCc1nnc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)o1 96491209 PLQIGXKFGXLZTD-MNOVXSKESA-N 338.433 1.952 0 40 EDAB Cc1cc(C)cc(C(=O)N2CC[C@H](N3CCOCC3)C[C@H]2C(=O)O)c1 96100584 XYYMVNJTUFGVLW-IRXDYDNUSA-N 346.427 1.693 0 40 EDAB Cn1cccc1C(=O)NC[C@]12COC[C@H]1CN(Cc1ccsc1)C2 96108433 DEOHDTMRMOCRCM-QAPCUYQASA-N 345.468 1.965 0 40 EDAB Cc1nc(COC[C@]23COC[C@H]2CN(C(=O)c2cnoc2)C3)cs1 96215053 KHBFFUUAMZCOML-CJNGLKHVSA-N 349.412 1.745 0 40 EDAB COc1cc(N2CCC3(CC2)C[C@H](Nc2cnn(C)c2)CO3)ncn1 96074213 ZGBKTIFCJWFATC-ZDUSSCGKSA-N 344.419 1.459 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(C[C@H](N(C)Cc3ccccn3)CO2)C1 96219922 RBWUJCUZGCXSSQ-HOTGVXAUSA-N 339.461 1.097 0 40 EDAB Cn1cc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cn1 96226502 PCVOEKQNNQEDFY-QGZVFWFLSA-N 328.420 1.082 0 40 EDAB Cn1ncc2c1[C@@H](COCC1CC1)N(C(=O)c1ccncc1)CC2 96197787 FQOQPOXSAAQNMN-MRXNPFEDSA-N 326.400 1.981 0 40 EDAB Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)[C@@H]2CCCO2)cs1 96186384 UAKKMFGXDYSWKO-KFWWJZLASA-N 349.456 1.722 0 40 EDAB CCc1ccccc1S(=O)(=O)N1CCC(c2nc(=N)n(C)[nH]2)CC1 585137486 AYTQKYSDJLPOBG-UHFFFAOYSA-N 349.460 1.358 0 40 EDAB Cn1cc(C(=O)N2CCCCCC23CN(C(=O)OC(C)(C)C)C3)nn1 585128114 SBJHDVPYTZSRFP-UHFFFAOYSA-N 349.435 1.821 0 40 EDAB Cn1ncnc1SCc1c(I)cnn1C 585135057 VTAHGORDHXVGBA-UHFFFAOYSA-N 335.174 1.446 0 40 EDAB O=C(CN(C[C@@H](O)c1ccccc1)C1CC1)NCc1ccccn1 96410364 NQGFOUFGNOEEJB-GOSISDBHSA-N 325.412 1.896 0 40 EDAB Cc1nc(C(=O)N2CCOCC2)cc(N2CCc3ccccc3C2)n1 96182753 WAABXCLFCRCGKR-UHFFFAOYSA-N 338.411 1.820 0 40 EDAB CC(C)c1nnc(NC(=O)CN2CCN(c3ccccn3)CC2)s1 96418692 YTXPQNDDGUPOIV-UHFFFAOYSA-N 346.460 1.817 0 40 EDAB O=C(c1cc[nH]n1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 96250103 NICCKCCIXPJJBB-UXIGCNINSA-N 348.428 1.703 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 247839928 FAAAQFJCNXLINF-CYBMUJFWSA-N 331.397 1.987 0 40 EDAB COCCN1C(=O)Cc2c(C)nc([C@]3(C)CCCN3C(C)=O)nc21 257225786 FHVBNAINAUJOHE-KRWDZBQOSA-N 332.404 1.178 0 40 EDAB CN(C)c1cccc(C(=O)NCCn2ccc(-c3cnccn3)n2)c1 253471891 GKYQLGYAXBMTOU-UHFFFAOYSA-N 336.399 1.836 0 40 EDAB Cc1cccnc1N(C)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 253420453 JQIAYHUBPQIPLM-IRXDYDNUSA-N 339.395 1.951 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)CCN1CCCC1 257214323 CLOYWBATUBYYCJ-INIZCTEOSA-N 332.448 1.431 0 40 EDAB Cc1cccc(C)c1CN1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 257279681 OHSJZZPWMJWRBS-OALUTQOASA-N 344.455 1.894 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)ncn1 257257152 KOGQCPXPQXYYOA-QGZVFWFLSA-N 343.431 1.622 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257245786 IRBPOYGRFBVZFY-HOTGVXAUSA-N 335.429 1.411 0 40 EDAB COc1ccc(OCC(=O)N2CCOC[C@@H]2c2nc(C)c[nH]2)cc1 257261273 LGNAXXRHHKLYLE-OAHLLOKOSA-N 331.372 1.706 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2csc3c2CCCC3)C1 257260322 LCHUOOHNWIKMKX-GFCCVEGCSA-N 335.473 1.377 0 40 EDAB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)CO)cc1 252514984 FQJMCVYKXYCBSB-KURKYZTESA-N 331.437 1.933 0 40 EDAB Cc1nn(C)c(C)c1-c1cncc(C[C@H]2CCN(S(C)(=O)=O)C2)n1 257237548 HHAIGFQMLVQQEV-CYBMUJFWSA-N 349.460 1.318 0 40 EDAB CS(=O)(=O)N1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 257313920 UURJEGBUBYQFQD-NSHDSACASA-N 334.405 1.149 0 40 EDAB Cc1cn(C)c([C@H]2CCN(C(=O)c3cccc(-n4cnnc4)c3)C2)n1 257220882 DMPYSZOFTUWDCL-HNNXBMFYSA-N 336.399 1.939 0 40 EDAB O=C(CCN1CCc2ccccc21)N1CC[C@](O)(CN2CCCC2)C1 257212762 CEWNFCXDKBDIGL-FQEVSTJZSA-N 343.471 1.498 0 40 EDAB CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)O)cs1 263121265 XCSZBOJXZVJASG-PTOFAABTSA-N 343.426 1.477 0 40 EDAB COc1cc(NCCNC(=O)c2snc(C)c2N)cc(OC)c1 1615587052 USIWEGMJZWZNNM-UHFFFAOYSA-N 336.417 1.893 0 40 EDAB Cn1cc([C@]2(C)NC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)cn1 578740355 DAGZESXJGOHUES-INIZCTEOSA-N 328.328 1.086 0 40 EDAB C[C@@H]1CC[C@@H](NC(=O)NCc2cnn3ccccc23)CS1(=O)=O 664877835 KFFSHAKXIODBNG-DGCLKSJQSA-N 336.417 1.099 0 40 EDAB Cc1cc(=O)n2ccn(Cc3ccc(OCC(F)(F)F)nn3)c2n1 585091186 AOOJOLUKWUBNEA-UHFFFAOYSA-N 339.277 1.584 0 40 EDAB CCn1ncc2c(=O)n(Cc3cccc4c3OC(F)(F)O4)cnc21 585091138 IHSQQSXHEXDQGW-UHFFFAOYSA-N 334.282 1.983 0 40 EDAB COc1ccc(CN2Cc3ncn(C)c3[C@H](C(=O)N3CCC3)C2)cc1 585110789 GNELERLUFJNQAV-MRXNPFEDSA-N 340.427 1.760 0 40 EDAB Cc1snnc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 585108828 PLRZYHLLDZLWOL-GZBFAFLISA-N 346.412 1.693 0 40 EDAB COC[C@H]1CCn2nccc2CN1S(=O)(=O)c1ccccc1F 585098102 UERJUWDIAQQCOI-CYBMUJFWSA-N 339.392 1.632 0 40 EDAB COc1ccc(Br)c(C(=O)NCC2(O)CCOCC2)c1 70638926 DEYYBTUMPBCUQN-UHFFFAOYSA-N 344.205 1.729 0 40 EDAB CCOc1ccccc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 43979725 VDNDEXJVWGIQQZ-UHFFFAOYSA-N 340.445 1.487 0 40 EDAB O=C(CSCC(=O)N1CCOCC1)Nc1ncc(Cl)s1 76042251 WWWCPJVLNFGLKV-UHFFFAOYSA-N 335.838 1.327 0 40 EDAB COc1ccc(CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1OC 96365374 CZGGNBCUYQCELJ-LBPRGKRZSA-N 342.417 1.032 0 40 EDAB Cc1nn(CC(=O)N2CCC[C@H](C)C2)c(=O)c2cc3occc3n12 12115424 QRACXSXVRRFXHT-NSHDSACASA-N 328.372 1.809 0 40 EDAB Cc1cc(C(=O)NCCN2CCCCC2)ccc1NS(C)(=O)=O 13676805 UZNXXCCIBOJJDZ-UHFFFAOYSA-N 339.461 1.582 0 40 EDAB COCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 14399476 MGYNERXHIDJNJE-UHFFFAOYSA-N 332.397 1.135 0 40 EDAB O=S(=O)(CS(=O)(=O)Oc1ccccc1)Oc1ccccc1 1703758 DZQWMSZBTJGXBY-UHFFFAOYSA-N 328.367 1.762 0 40 EDAB COc1nccnc1O[C@@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 225494356 LTIFRMXWROITOQ-CYBMUJFWSA-N 346.387 1.703 0 40 EDAB CNC(=O)[C@@]1(C)CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CCO1 1848352388 JEKDILZYZFORKB-GOSISDBHSA-N 329.400 1.762 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CCN(C)C[C@H](C(N)=O)C3)cc2c1C 1848352402 VEZXFKZYRNRNFB-AWEZNQCLSA-N 328.416 1.274 0 40 EDAB CCOC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 10463198 UKELCHWHZSBQGP-UHFFFAOYSA-N 327.280 1.427 0 40 EDAB Cc1cccc(OCCNC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 21785699 MYZAZJIJEHNZJZ-UHFFFAOYSA-N 337.379 1.969 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCOCC2)nc1 22188581 QYVSMHMRJOKABX-GFCCVEGCSA-N 344.371 1.268 0 40 EDAB CN(C)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cn1 22394335 YNZZIBRQCSQDOM-UHFFFAOYSA-N 337.383 1.955 0 40 EDAB CC(C)N1C[C@@]2(CCN(C(=O)c3ccnn3C(C)C)C2)COCC1=O 2037985429 JPSBCCWTYSICNQ-SFHVURJKSA-N 348.447 1.564 0 40 EDAB COCC(=O)N1CC[C@H](N2CCCC2)C[C@@]1(CC1CC1)C(=O)OC 2056223244 TWDGDDUIEWTOEG-YJBOKZPZSA-N 338.448 1.432 0 40 EDAB Cc1nc2c(c(N3C[C@@H]4CN(Cc5nnc(C)o5)C[C@@H]4C3)n1)CCC2 2086962020 NCCJIWCYYZYSGD-OKILXGFUSA-N 340.431 1.533 0 40 EDAB CC1CC(C(=O)N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)C1 1565552103 KJDAGZUABPJKNQ-KXIUCKCTSA-N 329.444 1.929 0 40 EDAB Cc1noc([C@@H]2CCC3(CCN(C(=O)CC4(O)CCC4)CC3)O2)n1 1565542829 VNGUWTAHQMXURJ-ZDUSSCGKSA-N 335.404 1.896 0 40 EDAB COc1cnc(C(=O)N2CCc3ncnc(-c4cccnc4)c3C2)nc1 1565556310 RBLSGQAHNAVEIQ-UHFFFAOYSA-N 348.366 1.536 0 40 EDAB CS(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 34469 YHCZTMUYPRAOOM-UHFFFAOYSA-N 344.458 1.183 0 40 EDAB CCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(F)cc3)nnc12 10963572 DOPIURXTWZDXBU-UHFFFAOYSA-N 342.334 1.287 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2cccs2)C1 2055772555 UVVPJNKZYKPGNR-INIZCTEOSA-N 332.429 1.251 0 40 EDAB O=S(=O)(NC1CCN(c2ncnc3ncccc23)CC1)C1CC1 2086864924 SXNLDMQHLWCBRJ-UHFFFAOYSA-N 333.417 1.075 0 40 EDAB CN1c2ccc(F)cc2N(CCNC(=O)C2CCCC2)S1(=O)=O 575613246 QJZGWFTXWSTFLW-UHFFFAOYSA-N 341.408 1.633 0 40 EDAB Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NC3CCCCCC3)ccc21 50144044 YXPDFTAXVGTOHO-UHFFFAOYSA-N 344.415 1.655 0 40 EDAB O=C(Nc1cccc(NC(=O)[C@@H]2COCCO2)c1)c1ccncc1 30889111 KOGGTKJIULYYDS-HNNXBMFYSA-N 327.340 1.688 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)C1=NN(C)C(=O)CC1 40474071 RZBXLJXMLPFJGG-GFCCVEGCSA-N 331.372 1.283 0 40 EDAB Cc1cc2ccccc2n1CC(=O)NC1CCN(S(C)(=O)=O)CC1 40497304 KCENNNDHKDRZRI-UHFFFAOYSA-N 349.456 1.490 0 40 EDAB O=C(O)CCNC(=O)Cn1ccc2cc(Br)ccc21 32094393 FQKZZHNNPGWRSH-UHFFFAOYSA-N 325.162 1.995 0 40 EDAB Cn1nc(C(=O)OCc2nccn2C(F)F)c2ccccc2c1=O 32853899 VHEIDDBUJZOALS-UHFFFAOYSA-N 334.282 1.882 0 40 EDAB C[C@H]1[C@@H](OC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C[C@H]2C[C@H]1C2(C)C 102595698 ONGNFRNBGGRHMD-QQBQTPJSSA-N 346.427 1.711 0 40 EDAB COc1cccc(C(=O)NCCNC(=O)c2c(C)nn(C)c2C)c1 32909859 USNNIXMPQCNYLA-UHFFFAOYSA-N 330.388 1.205 0 40 EDAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)cc1 22023968 ZYMBBXPPTOOONI-UHFFFAOYSA-N 325.368 1.485 0 40 EDAB CCOC(=O)C1=NN[C@]2(CC(=O)N(c3cccc(Cl)c3)C2=O)C1 547351 NAZMZDLBYBPSLH-HNNXBMFYSA-N 335.747 1.255 0 40 EDAB O=C(NCCCc1nc2ccccc2[nH]1)c1cccc(-n2cnnn2)c1 22489378 OXJJBTCBTJWZPL-UHFFFAOYSA-N 347.382 1.901 0 40 EDAB O=C(Cn1nc(-c2ccco2)oc1=O)N1CCO[C@@H]2CCCC[C@@H]21 53650178 VRDQCFIMGWSQEG-NWDGAFQWSA-N 333.344 1.266 0 40 EDAB CCCn1[nH]cc/c1=N\C(=O)CN1CC[C@@H](CNc2ccccn2)C1 104177610 WOCIIVVEJVJVHV-GBPUDXIESA-N 342.447 1.483 0 40 EDAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)C1CC1 23042224 IRTZYHGYPHHXAS-MRVPVSSYSA-N 336.866 1.937 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2c(Cl)cccc2Cl)n(C)c1=O 47077 SXOQOQYQGULXTM-UHFFFAOYSA-N 339.182 1.789 0 40 EDAB O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)C1CCOCC1 70871201 LULNHOQAWDKGSZ-UHFFFAOYSA-N 333.413 1.834 0 40 EDAB C[C@H](c1ccc(F)c(F)c1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 24250377 HJVIIXHNKXIBTI-ZYHUDNBSSA-N 346.399 1.261 0 40 EDAB CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)cc1 78398352 IUANRHXYQJQLRC-OCCSQVGLSA-N 326.418 1.125 0 40 EDAB CS[C@@H]1CC[C@H](N(C)C(=O)CN2CCN(c3ccccn3)CC2)C1 78966672 CRSSXCLDFGJUDY-JKSUJKDBSA-N 348.516 1.946 0 40 EDAB COc1ccc(NC(=O)CCn2cncn2)cc1N1CCCCC1=O 79047423 WNDKYHMDGLVJNR-UHFFFAOYSA-N 343.387 1.832 0 40 EDAB O=S(=O)(C[C@H]1CCOC1)N1CCN(c2ccccc2F)CC1 106447468 QJGSAQWRVNIGMN-ZDUSSCGKSA-N 328.409 1.314 0 40 EDAB O=C(NCCn1ccnc1)N1CCCN(Cc2cccs2)CC1 43310303 TYLZEPBQAPDOEN-UHFFFAOYSA-N 333.461 1.862 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN([C@H](C)c3nc(C4CC4)no3)CCO2)n1 106908192 NSXJYLZEMDLBAQ-YGRLFVJLSA-N 332.408 1.617 0 40 EDAB NC(=O)[C@H](NC[C@@H]1CCCN1c1cccnn1)c1ccc(F)cc1 106906366 WZROXINLSVHWNB-GOEBONIOSA-N 329.379 1.401 0 40 EDAB O=C(NCCOC(=O)c1ccccc1-n1cccn1)c1ccncc1 56217756 YPGHBJCBPZJHGG-UHFFFAOYSA-N 336.351 1.854 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1cccnc1 43786693 XSWLTGFYHMSTJE-ZFWWWQNUSA-N 326.404 1.901 0 40 EDAB CN1CCN(C(=O)CSc2nnc(Cc3ccccc3)o2)CC1 26441447 HHGJZJUQXFVFJK-UHFFFAOYSA-N 332.429 1.527 0 40 EDAB CCc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1 57525611 MDZVFVSQGFBQHP-UHFFFAOYSA-N 337.379 1.901 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(C(=O)NC2=NCCS2)cc1 57984758 HRMGGTDVVVKMOH-UHFFFAOYSA-N 327.431 1.206 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)N1CCOCC1 58078227 HROWAFUMSXVXFN-LSDHHAIUSA-N 342.443 1.990 0 40 EDAB O=C(NC[C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 44891033 NTLOGIJIKVBHBC-QGZVFWFLSA-N 345.443 1.628 0 40 EDAB CCN1C[C@H](CN(C)C(=O)Cn2ccccc2=O)Oc2ccccc21 44873413 ONDBJNBEWFURET-HNNXBMFYSA-N 341.411 1.594 0 40 EDAB Cc1cc(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)[nH]n1 58217664 CZLFYGFLTGVRMM-UHFFFAOYSA-N 334.810 1.350 0 40 EDAB CCN1CCN(CCNC(=O)CSc2cccc(OC)c2)CC1 58202169 CWOXKMAMFBHYDS-UHFFFAOYSA-N 337.489 1.541 0 40 EDAB CC(=O)N1CCC(NS(=O)(=O)c2cccc(Cl)c2C)CC1 44935165 PLIHTZKFBWEXPO-UHFFFAOYSA-N 330.837 1.938 0 40 EDAB CC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2C)CC1 44935174 JCOQIZJKCWSJFV-UHFFFAOYSA-N 330.837 1.938 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H]1CCN2CCCC[C@H]12 44941802 NGPLKHOEWNGHSI-HZPDHXFCSA-N 325.416 1.932 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@@]2(CCCN(Cc3cnn(C)c3)C2)C1 107228847 ZALLUBJAVLKOLJ-AEFFLSMTSA-N 342.447 1.470 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)C1 24778563 CKMHCANQRKGDKH-SNVBAGLBSA-N 348.371 1.898 0 40 EDAB COc1ccc(N[C@H](C)C(=O)NC(C)(C)C)cc1NS(C)(=O)=O 36391988 ZLYQILDCPKHSPV-SNVBAGLBSA-N 343.449 1.782 0 40 EDAB O=c1/c(=N/NC(=S)NC[C@@H]2CCCO2)c2cccc3cccc1c32 102976595 YKMYYRQBKZOISV-WREBDXAUSA-N 339.420 1.688 0 40 EDAB Cc1nc(CS(=O)(=O)CC(=O)N[C@H]2CCCc3ccccc32)no1 46159525 CCCRSZUDWRZTJQ-AWEZNQCLSA-N 349.412 1.487 0 40 EDAB COc1ccccc1-n1cnnc1SCC(=O)N1CCOCC1 2652704 MZSHKHLPPLGBKY-UHFFFAOYSA-N 334.401 1.227 0 40 EDAB C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1nncn1C 46962514 HHCXLTOGGRWJQD-BXUZGUMPSA-N 333.367 1.798 0 40 EDAB O=C(CN1CCC(c2nnc3n2CCC3)CC1)NCc1cccs1 47258462 MFGQUIHRONGGIE-UHFFFAOYSA-N 345.472 1.782 0 40 EDAB CCn1nccc1CN(C)S(=O)(=O)c1ccsc1C(=O)O 12397945 MXHRMFLVMJIBHF-UHFFFAOYSA-N 329.403 1.483 0 40 EDAB Cc1c(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cnn1C 48286232 MDSXJEWNICLQLY-INIZCTEOSA-N 326.400 1.822 0 40 EDAB Cc1sc2ncn(CCC(=O)NC[C@@H]3CCCO3)c(=O)c2c1C 48251872 XLQJZKTZIHZCPX-LBPRGKRZSA-N 335.429 1.760 0 40 EDAB CC(C)NC(=O)NCc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 48342777 SRNKZAHPHFRHLW-INIZCTEOSA-N 344.459 1.861 0 40 EDAB C[C@H](OC(=O)CCn1cnc2sccc2c1=O)C(=O)NC1CC1 12875695 AGXHZKQWICVPJU-VIFPVBQESA-N 335.385 1.058 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC(=O)c2cccn2C)c1C 3531784 AOEAVXKLOPYQJR-UHFFFAOYSA-N 345.355 1.286 0 40 EDAB CCOC(=O)C1=C(CN(C)Cc2ccc(F)cc2)NC(=O)N[C@H]1C 13061911 ZPEBAUIVKRSYMD-NSHDSACASA-N 335.379 1.776 0 40 EDAB O=C(N[C@H](CO)Cc1ccccc1)C1CCN(c2ncccn2)CC1 8992499 XWRUEQWFEZYTTR-KRWDZBQOSA-N 340.427 1.413 0 40 EDAB O=C(NCCC(=O)N1CCCC1)Nc1ccc2c(c1)OCCCO2 71185407 RKGVONGPKKGIHM-UHFFFAOYSA-N 333.388 1.982 0 40 EDAB CNC(=O)c1ccc(=O)n(Cc2cc(=O)oc3c(C)c(C)ccc23)c1 63538362 OITGRTROZCNTFZ-UHFFFAOYSA-N 338.363 1.979 0 40 EDAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccnc2)n2ncnc2N1 4059302 DZYGTNRKIXTTQQ-OAHLLOKOSA-N 333.355 1.996 0 40 EDAB CCOCCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 9112418 AGZAMSNJVGKSGG-UHFFFAOYSA-N 326.418 1.383 0 40 EDAB CCN(CC)CCC[C@@H](C)NC(=O)c1cccc(-n2cnnn2)c1 64317538 ZRPCSRQSQGSJQQ-CQSZACIVSA-N 330.436 1.903 0 40 EDAB O=C(NCc1ccc(F)cc1)[C@H](Cc1ccccc1)n1cnnn1 49550734 GEZWQMZVMLUCPJ-INIZCTEOSA-N 325.347 1.912 0 40 EDAB COCCOc1ccc(NC(=O)N2CCC[C@H](NC(C)=O)C2)cn1 65415644 UYMGFUYCPVUHOP-AWEZNQCLSA-N 336.392 1.239 0 40 EDAB Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@H](O)C3)c2c1C 65564165 GLBNOYLCHIWLMY-ZDUSSCGKSA-N 348.472 1.711 0 40 EDAB Fc1cc(CNCCc2nnc3n2CCC3)ccc1-n1cncn1 65502716 UMHWGXFULLIBRX-UHFFFAOYSA-N 327.367 1.276 0 40 EDAB COCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 14200588 SIKVLRIYJKMMCX-UHFFFAOYSA-N 326.418 1.124 0 40 EDAB COc1cc(OC)c([C@@H]2NS(=O)(=O)N=C3CCCN32)c(OC)c1 6550032 AYAZLUBZMDWRHU-CQSZACIVSA-N 341.389 1.053 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)Nc1cccc(-c2nnnn2C)c1 14519343 NQTDHLVEEOXPFF-UHFFFAOYSA-N 339.403 1.799 0 40 EDAB CCCN(CC(=O)OCC)C(=O)C[C@@H](C)NC(=O)C1CCCC1 66147844 UAHRTAXRGIPXBG-CYBMUJFWSA-N 326.437 1.873 0 40 EDAB CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)CCO1 67531692 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EDAB O=C1CN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CCN1 17818436 ZPJYGKFFHRRWNW-UHFFFAOYSA-N 332.363 1.869 0 40 EDAB NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)c2ccccc21 69705245 GWAGFIIJFHKCCD-LLVKDONJSA-N 338.335 1.743 0 40 EDAB COCCN(CC(=O)N(C)C)C(=O)C1(c2cccc(F)c2)CCC1 71904000 VETPIZHWDWXPSQ-UHFFFAOYSA-N 336.407 1.811 0 40 EDAB Cc1ncsc1CCSc1n[nH]c(=O)n1C[C@H]1CCCO1 71905468 PYTWRINPZIIQPP-SNVBAGLBSA-N 326.447 1.850 0 40 EDAB COC(=O)CN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)C 84169955 LAIOMUWDOMGJMR-UHFFFAOYSA-N 334.376 1.068 0 40 EDAB COC(=O)[C@@H]1CN(Cc2cn(C)nc2-c2ccccc2)C[C@@H](C)O1 97034014 PJZHDABBCNDXJB-CJNGLKHVSA-N 329.400 1.849 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1OC 72274794 PEWANMDSPUGNSG-UHFFFAOYSA-N 343.401 1.498 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 72279640 ZTVCHDNQDKCPCA-XHSDSOJGSA-N 349.475 1.087 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CCCN(c3nccs3)C1)C2 72240566 SOKMHHLTBISXES-UONOGXRCSA-N 345.472 1.996 0 40 EDAB 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EDAB COC[C@H]1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](O)[C@@H]1O 225505864 PPHNJPZWSBVJOU-STRQVWJDSA-N 348.321 1.584 0 40 EDAB biogenic,in-vitro CNS(=O)(=O)CC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 530722764 XHEFPTIHQTWKDK-UHFFFAOYSA-N 344.396 1.489 0 40 EDAB COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(N)cc1 225314205 VQECTDKAWMCAKF-UHFFFAOYSA-N 338.360 1.776 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)/C=C/c2ccc3c(c2)CCO3)cn1 80892708 UCOPTNJQJLSTIJ-JXTAAOLFSA-N 327.384 1.392 0 40 EDAB C[C@@H]1CN(CCCCNC(=O)c2ccc3nncn3c2)C[C@@H](C)O1 96459420 HNSDMLBKQYUCKJ-ZIAGYGMSSA-N 331.420 1.349 0 40 EDAB Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)cn1 96043299 PMRNPGAMLFFSGX-IXDOHACOSA-N 332.448 1.173 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1CCc1nc(-c2ccc(O)nc2)no1 333084021 GBLQIHRTKSZLPN-UHFFFAOYSA-N 343.343 1.244 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)NCc1c(F)cccc1F 96231121 KEWWDNJIYIUZEQ-UHFFFAOYSA-N 344.321 1.776 0 40 EDAB Cc1cc(Br)ccc1CC(=O)N1C[C@H](CO)OC[C@@H]1C 97233842 UKMJJHIYSLSDKB-SMDDNHRTSA-N 342.233 1.908 0 40 EDAB Cn1cc(S(=O)(=O)Nc2cc(CCc3ccccc3)[nH]n2)cn1 97228098 GVEKJJIYZNVAQZ-UHFFFAOYSA-N 331.401 1.729 0 40 EDAB Cc1ccc(CNC(=O)c2cccc(OCc3nnnn3C)c2)o1 96101360 ZLDQOVDVVQQDQD-UHFFFAOYSA-N 327.344 1.621 0 40 EDAB O=C(NC[C@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccoc1 96044400 NANQWCJFCYOHCH-MRXNPFEDSA-N 345.399 1.947 0 40 EDAB CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCc2cscn2)C1 96420797 GYQZWYRQHBRPSS-ZDUSSCGKSA-N 338.477 1.879 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 96420661 QSRHEVOXAZYCGC-RDJZCZTQSA-N 328.416 1.289 0 40 EDAB O=C(NC[C@@H]1CCCN1c1cccnn1)c1occ2c1CCOC2 585081918 ZRPNWXMWUYBJNW-ZDUSSCGKSA-N 328.372 1.541 0 40 EDAB Cc1cnc(N2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)nc1 96100460 GIYMIKRQKSVIFN-WBVHZDCISA-N 329.404 1.436 0 40 EDAB O=S(=O)(c1ccsc1)N1CCC(OC[C@@H]2CCOC2)CC1 585081668 FHDHQTBPQGZGKJ-GFCCVEGCSA-N 331.459 1.954 0 40 EDAB Cc1nnc(N2C[C@H]3OC[C@@H](CC(=O)Nc4cnccn4)[C@H]3C2)s1 96215652 JYNVWCDLCPGCOL-IJLUTSLNSA-N 346.416 1.117 0 40 EDAB O=C(c1ccoc1)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 96160353 BWKXEQNHRSHPSN-RDJZCZTQSA-N 331.372 1.567 0 40 EDAB C[C@H](OC[C@H]1CCCO1)C(=O)N1Cc2ccccc2NC(=O)[C@H]1C 585122541 XAFMNHBUOSNJSJ-VNHYZAJKSA-N 332.400 1.940 0 40 EDAB O=C(Nc1ccns1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 585126004 KZPSHVWLTNEBCR-JTQLQIEISA-N 345.380 1.906 0 40 EDAB Nc1ncnc2c1ncn2CCCNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585126791 IMISPECCMMSQDO-RWMBFGLXSA-N 328.420 1.741 0 40 EDAB Cc1cnc(C(=O)N2Cc3nccn3C[C@H](Cn3cccn3)C2)cn1 96067056 SMEADPYENMGKRL-AWEZNQCLSA-N 337.387 1.150 0 40 EDAB O=C(COC1CCCC1)N1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 247743350 POFZTPUNUIYZAH-NUEKZKHPSA-N 346.431 1.321 0 40 EDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H](C)Oc1cccnc1)CC2 247227336 OPPAFQPTHXAARW-CWRNSKLLSA-N 334.416 1.627 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](C)N(C)C)c(Br)c1 26856596 QVECSOOREZCHNC-SNVBAGLBSA-N 335.267 1.986 0 40 EDAB Cn1c(=O)oc2ccc(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)cc21 257266577 MDPJQLHPJCIUSA-GFCCVEGCSA-N 326.356 1.874 0 40 EDAB CCCn1cc(Cl)c(C(=O)N2CC[C@H]3OCC(=O)N(C)[C@H]3C2)n1 257234003 GRRCUYQESSGSHN-NWDGAFQWSA-N 340.811 1.018 0 40 EDAB CNC(=O)c1cc(C[C@H]2CCCN(Cc3ccccn3)C2)ncn1 257306009 SSMMWMGLXQTPBE-CQSZACIVSA-N 325.416 1.686 0 40 EDAB Cc1cnc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)cn1 257266106 MBPRVFLCNVYOEY-MRXNPFEDSA-N 327.340 1.727 0 40 EDAB CC(C)n1nccc1-c1cc(C[C@@H]2CCN(S(C)(=O)=O)C2)ncn1 257298422 RLNCPYJPEHWIPZ-ZDUSSCGKSA-N 349.460 1.745 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ncoc3C)CC2)C[C@@]1(C)CO 257285582 PHWDXTSZXZLRIQ-INIZCTEOSA-N 335.404 1.209 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)CCc2ccc(F)cc2)CCN1C(C)C 257291643 QHYHWRKEOYTDGP-INIZCTEOSA-N 335.423 1.426 0 40 EDAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)nn1C 252492365 MKAKTJAYBYSVMA-UHFFFAOYSA-N 334.401 1.804 0 40 EDAB O=C(CCN1CCc2ccccc21)N1CCOC[C@@H]1c1ccn[nH]1 257242251 IBRCHMIAECPBLR-QGZVFWFLSA-N 326.400 1.762 0 40 EDAB Cc1cc(C)n(CCCC(=O)N2CCO[C@H](c3nccnc3N)C2)n1 257276883 NVNJMFMRYKTMAU-AWEZNQCLSA-N 344.419 1.252 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)CCCn3cncn3)CCO2)n1 257329580 XKOFDTTXKJPKQJ-OAHLLOKOSA-N 344.419 1.119 0 40 EDAB Cc1ccnn1CCC(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257290943 QEZQCXNHPZOYGX-JFIYKMOQSA-N 329.400 1.669 0 40 EDAB C[C@]1(C(=O)N[C@H](Cc2ccccc2)c2ncco2)CCC(=O)NC1 606444884 KOCNWJWYNBCAAQ-KDOFPFPSSA-N 327.384 1.991 0 40 EDAB C[C@H](NC(=O)C(F)(F)[C@H](O)c1ccccc1)[C@H]1CN(C)CCN1C 1615586785 PDTMPFMZIOYVMX-NWANDNLSSA-N 341.402 1.106 0 40 EDAB O=C(N[C@]12CCC[C@@H]1NCC2)c1cccn(CC(F)(F)F)c1=O 1615544892 DRRNIMOJZOQNGL-FZMZJTMJSA-N 329.322 1.425 0 40 EDAB COc1cc([C@H](C)NC(=O)c2cc(C)on2)ccc1S(C)(=O)=O 1615616317 XZBISQADZUBFJE-JTQLQIEISA-N 338.385 1.886 0 40 EDAB Cn1cc(S(=O)(=O)Nc2ccc(N3CCCCC3=O)cc2)cn1 96098381 ZDKZYQUBRDFBES-UHFFFAOYSA-N 334.401 1.738 0 40 EDAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccccn3)C2)cc1 96377799 YGYYEIBNXGASLH-UHFFFAOYSA-N 332.381 1.389 0 40 EDAB O=C(c1cnc[nH]1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 390832355 YWUMEJCKUUNJGL-GFCCVEGCSA-N 325.415 1.473 0 40 EDAB O=C(CSCc1ccccc1)NCCn1nc2c(cc1=O)CCC2 575609079 RMGBKDGVPJOXGN-UHFFFAOYSA-N 343.452 1.782 0 40 EDAB Cc1ccc(CN2CC3(CC[C@@H](CNS(C)(=O)=O)CO3)C2)cc1 585104417 IFVQPDVOPKNOPI-INIZCTEOSA-N 338.473 1.525 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)Cc1cc(C)ccc1OC 585277213 GZWVODWTXKEEDU-GOSISDBHSA-N 334.416 1.429 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(CC(=O)Nc3ccccn3)C2)c1 585276109 JVKXMFAYUCHCEQ-LJQANCHMSA-N 341.411 1.844 0 40 EDAB COc1ncc(C(=O)N2CC[C@H](O)[C@H](Cc3ccccc3F)C2)cn1 585276083 JIXSERLLYDOXDP-CJNGLKHVSA-N 345.374 1.690 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 71866006 YQVWKJCZVRHUEP-LSDHHAIUSA-N 341.477 1.786 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC(Oc2ccccc2)CC1 55090349 AFAQMUZFNDKKPW-ZDUSSCGKSA-N 338.429 1.427 0 40 EDAB Cc1ccc(SCC(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c1 58246656 JBJWZOUXKKECTL-UHFFFAOYSA-N 342.486 1.499 0 40 EDAB Cc1c[nH]cc(C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)c1=O 514622160 JLUCPNSOIVFWAJ-MRXNPFEDSA-N 325.412 1.682 0 40 EDAB C[C@@H](O)CCN(C)S(=O)(=O)Cc1ccc(Br)cc1 95433829 OPKOQMJQZZPSTA-SNVBAGLBSA-N 336.251 1.982 0 40 EDAB C[C@@H](C(=O)OC(C)(C)C)N1C[C@@H](NC(=O)OC(C)(C)C)CC1=O 1772714729 NSUKOJROGDRLLU-QWRGUYRKSA-N 328.409 1.842 0 40 EDAB COc1ccc2[nH]c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)c(C)c2c1 5346212 SERBKHMCMANHJS-NSHDSACASA-N 336.413 1.744 0 40 EDAB C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 5919361 VBTWNIRYJQZFTR-AAEUAGOBSA-N 346.408 1.679 0 40 EDAB CNc1ncc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)cn1 12121883 GDQVKJOVGYTCRU-UHFFFAOYSA-N 349.398 1.634 0 40 EDAB COC(=O)[C@H]1CN(C(=O)c2cnn(C)c2C)C[C@@H]1c1ccc(F)cc1 12157237 YHHNOCJGGAYBNK-CVEARBPZSA-N 345.374 1.896 0 40 EDAB CC[C@@H](C(=O)N[C@@H](C)COC)N(c1ccccc1)S(C)(=O)=O 13711723 LJOAYCSPCRAZES-JSGCOSHPSA-N 328.434 1.382 0 40 EDAB Cc1csc2ncc(C(=O)NCCSc3nccn3C)c(=O)n12 19240370 ZZEDJEBGYZQVLB-UHFFFAOYSA-N 349.441 1.320 0 40 EDAB CN(C)c1ncccc1CN1CCO[C@H](C(=O)N2CCCCC2)C1 19747384 QFFXZSBMDKOCLE-INIZCTEOSA-N 332.448 1.361 0 40 EDAB Cc1csc(C(=O)N2CCN(C3CCS(=O)(=O)CC3)CC2)c1 253471394 BYPDKHFPHMNCDK-UHFFFAOYSA-N 342.486 1.392 0 40 EDAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCNC1=O 6128548 MMKKGLSZFAMCLK-UHFFFAOYSA-N 343.412 1.789 0 40 EDAB O=C([C@@H]1CN(Cc2cc(F)cc(F)c2)CCO1)N1CCSCC1 1888843756 GLRYZUFWXOHGHE-HNNXBMFYSA-N 342.411 1.741 0 40 EDAB O=C(NCc1csc2ncnn12)c1nccc(C(F)(F)F)n1 1888878945 JUAZEUFPEHFJDX-UHFFFAOYSA-N 328.279 1.530 0 40 EDAB O=C(c1csnn1)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 1565549827 FYHZXVCRJJLZLX-RDBSUJKOSA-N 332.385 1.384 0 40 EDAB O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1ccccc1F 4941311 IDVCGFHXXUVCPK-GFCCVEGCSA-N 336.363 1.956 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CCOC[C@@]23CC(C(=O)NC(C)C)=NO3)o1 2055793292 LRTUNQQBNZIYLO-PBHICJAKSA-N 349.387 1.146 0 40 EDAB O=C([C@H]1CCOC1)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 2055815531 ZCCYGSDCQPAMBI-QFBILLFUSA-N 345.443 1.564 0 40 EDAB Cc1nnc(CNC(=O)[C@H]2CCCN2c2nc3ccccc3o2)o1 206785040 AJTUMZHQNVZTDN-GFCCVEGCSA-N 327.344 1.804 0 40 EDAB COc1c(F)c(F)cc(C(=O)N2C[C@H]3C[C@H]2CS3(=O)=O)c1F 575615750 HLLDXCDDPGLUJM-NKWVEPMBSA-N 335.303 1.124 0 40 EDAB COC(=O)[C@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1N2C(=O)O 102227443 PNJFEOGCMIEFTL-AAVRWANBSA-N 333.340 1.916 0 40 EDAB biogenic CC[C@](C)(CNS(=O)(=O)c1ccc(OC)cc1)N1CCOCC1 30425396 CDLHPDJBPOURIT-MRXNPFEDSA-N 342.461 1.474 0 40 EDAB COc1ccc(CCC(=O)N2CCNC(=O)C2)cc1Br 30576868 OWRCXENBYIZIQO-UHFFFAOYSA-N 341.205 1.349 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](N)C1 50242393 QSJAPWDZOOJTHL-VIFPVBQESA-N 335.223 1.179 0 40 EDAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)n(C)n1 40512265 ZDTBFGMKZQRRSU-SNVBAGLBSA-N 334.326 1.998 0 40 EDAB CCNC(=O)CN1CCN(C(=O)c2occc2-c2ccccc2)CC1 40522863 FVDYACCCWXQHSS-UHFFFAOYSA-N 341.411 1.841 0 40 EDAB COCc1ccc(CNS(=O)(=O)c2ncn(C)c2Cl)cc1 40511387 HIIWAQORYHNNLF-UHFFFAOYSA-N 329.809 1.698 0 40 EDAB COc1cccc(CS(=O)(=O)[C@H](C)C(=O)NC[C@@H]2CCCO2)c1 40528804 FDUVFAIDGNXUAM-DOMZBBRYSA-N 341.429 1.294 0 40 EDAB O=C(NCc1cnn(-c2ccccc2)c1)c1ccnc(-n2cncn2)c1 40556006 LDTPVZPIYZCSHH-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)NCc2nnc3n2CCCCC3)c1 40523827 HZUPFBXVGOFOOC-UHFFFAOYSA-N 338.408 1.931 0 40 EDAB C[C@@H](NC(=O)CCN1CCC(N2CCNC2=O)CC1)c1ccccc1 52217384 OLYAINQCLUXUTE-OAHLLOKOSA-N 344.459 1.744 0 40 EDAB C[C@@H](NC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1F 21310430 SPOIHCNGHSDSNA-LLVKDONJSA-N 341.342 1.706 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2cc(Br)ccc2F)C1 41126979 NNMXHEDZWNAWTI-YEQXMLPJSA-N 341.180 1.935 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](c1ccccc1)c1nccn1C 32848033 CKAOBPQRIKJKLQ-AWEZNQCLSA-N 345.428 1.828 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)N2CCOCC2)c1 33047847 FVNFAHBLXBGAPL-UHFFFAOYSA-N 326.462 1.693 0 40 EDAB CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 490209 VJZIHLZSWKYKRS-CIBFVHANSA-N 335.400 1.147 0 40 EDAB biogenic C[C@H](C(=O)Nc1ccc(F)cc1)N1CCN(C[C@@H]2CCCO2)CC1 22774294 XNEMNMSMVGCIDJ-PBHICJAKSA-N 335.423 1.949 0 40 EDAB COc1cc2cc(C)c3nnc(SCC(N)=O)n3c2cc1OC 412818 UFKGKFHWKWZHOD-UHFFFAOYSA-N 332.385 1.786 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)n1 54703768 DXVPTAPAIZQQGU-GFCCVEGCSA-N 331.376 1.027 0 40 EDAB Cc1cc([C@H](C)NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c(C)o1 78915939 KNWJKPBPTCMJKU-LBPRGKRZSA-N 345.403 1.749 0 40 EDAB Cc1nc(-c2cccnc2)nc(N2CCCS(=O)(=O)CC2)c1C 79017050 URGZBMRWUXSEPV-UHFFFAOYSA-N 332.429 1.780 0 40 EDAB CN1C(=O)C[C@@H](C(=O)N2CCC3(CC2)OCCO3)c2ccccc21 24998700 WUZHKSLXUXWASH-CQSZACIVSA-N 330.384 1.502 0 40 EDAB Cc1c(Cl)cnc(NC(=O)CSc2nnnn2C)c1Cl 3445249 LOMFFOWKMGGGSV-UHFFFAOYSA-N 333.204 1.951 0 40 EDAB O[C@H](CN[C@H]1CCCN(c2cccnn2)C1)COCc1ccco1 106785495 LBZJMDDGEVBFEF-LSDHHAIUSA-N 332.404 1.206 0 40 EDAB C[C@@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 34859001 CMMRAIGBHDTMDD-CQSZACIVSA-N 343.406 1.615 0 40 EDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1n[nH]c2ccccc12 12506523 NDLQZYBNHNKMPW-UHFFFAOYSA-N 327.344 1.462 0 40 EDAB CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCOCC1 35378155 SMLCNACDNNWTGG-UHFFFAOYSA-N 349.412 1.020 0 40 EDAB COc1cc2c(cc1OC)CN(CC(=O)N1CCO[C@@H](C)C1)CC2 10127576 IBVNUYAMANZASU-ZDUSSCGKSA-N 334.416 1.309 0 40 EDAB Cc1nc(/C=C/C(=O)NCCCn2nc3n(c2=O)CCCC3)cs1 58182945 JLCYKAVLNRRFCQ-VOTSOKGWSA-N 347.444 1.366 0 40 EDAB COc1ncccc1NC(=O)NCc1cccnc1N1CCOCC1 44953488 RJGXMXUKRLDGCV-UHFFFAOYSA-N 343.387 1.644 0 40 EDAB O=C(O)C[C@H](SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)O 3287678 WZOKCCBWUQFHQG-JTQLQIEISA-N 327.314 1.015 0 40 EDAB CC(C)COC[C@@H](NC(=O)CCN1C(=O)CCC1=O)c1ccco1 58311305 MDHLQJROSMAMDX-CYBMUJFWSA-N 336.388 1.649 0 40 EDAB NS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3cccn3)nc2)cs1 58327723 OUQWGCVZSPORCN-UHFFFAOYSA-N 349.397 1.229 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)C1 28082847 JUJCIDSPHJMXED-INIZCTEOSA-N 337.489 1.781 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)c1cnccc1C)CC2 108529021 QHQHKJOSIGLHHH-UHFFFAOYSA-N 345.443 1.881 0 40 EDAB O=C1CNC(=O)N1Cc1ccc(NS(=O)(=O)c2ccccc2)cc1 28253698 AMDPJNNJXINMHW-UHFFFAOYSA-N 345.380 1.539 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N3CCO[C@@H](C)C3)CC2=O)cc1OC 28504778 IZCGUVUXDPPSKE-QWHCGFSZSA-N 348.399 1.304 0 40 EDAB Cc1ccccc1-n1cnnc1SCC(=O)NC[C@H]1CCCO1 11152769 NITGGVCWVRHYIY-CYBMUJFWSA-N 332.429 1.963 0 40 EDAB Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(C)c1cnn(C)c1 173183418 BZKFBYOHYGPXBG-UHFFFAOYSA-N 348.428 1.545 0 40 EDAB COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1Cl 46186509 JRBTWPPBJWSIAM-MFKMUULPSA-N 338.791 1.539 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)COc2ccc(C)cc2)c2ccccc2O1 29767352 JKVIPSAPLPCZNJ-KRWDZBQOSA-N 340.379 1.914 0 40 EDAB CN1CCc2nc(NC(=O)CNC(=O)c3ccccc3F)sc2C1 23608850 SGCCJRGNZPPAEO-UHFFFAOYSA-N 348.403 1.639 0 40 EDAB COCCn1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)ccc1=O 48275437 WWJPGAVLPAKTAC-KRWDZBQOSA-N 342.395 1.708 0 40 EDAB COc1cc(C)c(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 48326299 QYZCFSOQAXLRSF-SNVBAGLBSA-N 328.390 1.321 0 40 EDAB CC(=O)Nc1cccc(C(=O)N2CCN(Cc3nonc3C)CC2)c1 48309437 NWNLVLXVUUZPAR-UHFFFAOYSA-N 343.387 1.294 0 40 EDAB CN(CC(=O)N(C)[C@@H]1CCCc2ccccc21)CC(C)(CO)CO 84638228 BGBANMAWPKWVRU-QGZVFWFLSA-N 334.460 1.445 0 40 EDAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)COC 12811708 XQXFBLBGISUFAT-UHFFFAOYSA-N 344.433 1.701 0 40 EDAB CCN1C(=O)C(=O)N(CC(=O)c2cccc(C(F)(F)F)c2)C1=O 12890242 IVIFQGYFBCJTKV-UHFFFAOYSA-N 328.246 1.699 0 40 EDAB CNC(=O)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C 3525964 XVSRAJMOINEAPP-UHFFFAOYSA-N 335.389 1.038 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)c2ccccc2O1 13040851 NTKSWLCHHIUEDF-SFHVURJKSA-N 336.391 1.997 0 40 EDAB COCCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 408596360 UKXPIDPQKUBOFL-UHFFFAOYSA-N 342.461 1.696 0 40 EDAB CCCn1c(=O)c2c(nc3n2CCN3c2ccccc2C)n(C)c1=O 13815243 QADXNPGFCMEAFK-UHFFFAOYSA-N 339.399 1.767 0 40 EDAB CCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)N(C)C(C)C 65443859 WBEDHBVGHVUHRL-UHFFFAOYSA-N 328.434 1.865 0 40 EDAB O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)cc1F 14099380 WALUUJPBHATBHX-UHFFFAOYSA-N 334.800 1.770 0 40 EDAB CNC(=O)NC(=O)CNc1ccc(OC(F)F)cc1OC(F)F 65522541 LGSPBFZKPRJVMS-UHFFFAOYSA-N 339.245 1.757 0 40 EDAB O=C(c1cc(F)ccc1I)N1CCOCC1 65519527 RUTDCLNCZQLFNU-UHFFFAOYSA-N 335.116 1.903 0 40 EDAB O=C(Cc1csc(-c2nc[nH]n2)n1)Nc1ccc2c(c1)OCCO2 65589772 BBCNLIZRFPKFQE-UHFFFAOYSA-N 343.368 1.881 0 40 EDAB CCN1CCN([C@@H](C)CNC(=O)NCc2nc(C)cs2)CC1 65553202 GBNQHJRCTLEMAM-ZDUSSCGKSA-N 325.482 1.277 0 40 EDAB O[C@@H](CN1CCc2ncnc(N3CCOCC3)c2C1)c1ccccc1 65536212 OWTTVZCSZYQOQI-SFHVURJKSA-N 340.427 1.405 0 40 EDAB CN(CC(=O)N1CCCCC[C@@H]1c1cccn1C)S(C)(=O)=O 65568736 WZBTZQOAMDFKMI-CQSZACIVSA-N 327.450 1.360 0 40 EDAB CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 14181378 OANXYZRHSCMHBC-UHFFFAOYSA-N 331.825 1.376 0 40 EDAB Nc1nccnc1C(=O)NCc1ccc(CN2CCCCC2)cc1 14196473 QTDMXGYKSIJQMY-UHFFFAOYSA-N 325.416 1.975 0 40 EDAB NC(=O)CCn1c(CS(=O)(=O)c2ccccc2)nc2ccccc21 14290198 LWSZBPIYBFFDSL-UHFFFAOYSA-N 343.408 1.886 0 40 EDAB O=C(NCCNC(=O)c1nc(C2CCCCC2)no1)c1cnccn1 15082234 KCJGFSNVDQKXNO-UHFFFAOYSA-N 344.375 1.067 0 40 EDAB O=C(CNC(=O)NC1CC1)NC[C@H]1CCCCN1Cc1ccccc1 67360808 HPEDUJIYZSALGG-QGZVFWFLSA-N 344.459 1.619 0 40 EDAB CS(=O)(=O)c1cccc(OCCN2CCN(C3CCC3)CC2)c1 96414884 RGZLHZPBXDEPNF-UHFFFAOYSA-N 338.473 1.639 0 40 EDAB O=c1cc(CSc2nnc3c(n2)[nH]c2ccccc23)[nH]c(=O)[nH]1 9583688 AYAHEBBIVLVWTM-UHFFFAOYSA-N 326.341 1.175 0 40 EDAB CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C(=O)O)c1 95424979 HVUCKLADAFFYHA-HNNXBMFYSA-N 347.392 1.979 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)NC[C@@H]1CN(C)CCN1C 71897640 CGXBTMVMJMQFSC-BZUAXINKSA-N 326.485 1.127 0 40 EDAB Cc1cc(NC(=O)CN(C)C[C@H]2CCCN2c2cccnn2)n(C)n1 71859999 LWDQWUNILOUZEJ-CQSZACIVSA-N 343.435 1.058 0 40 EDAB CCC(CC)[C@@H](O)CNC(=O)CNC(=O)c1cc(F)cc(F)c1 71898199 QGCIGULXFHYVFZ-AWEZNQCLSA-N 328.359 1.608 0 40 EDAB COC[C@H](C)N1CCN(C(=O)c2cnn(-c3ccncc3)c2C)CC1 90631511 IKSNPQFSPNHFKZ-AWEZNQCLSA-N 343.431 1.368 0 40 EDAB C[C@@H]1C[C@@H](C)CN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 16311004 SJJWZYXKJCRTQM-VXGBXAGGSA-N 345.486 1.976 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1 7988941 UVCSLLNQGBXWIS-UHFFFAOYSA-N 343.383 1.349 0 40 EDAB C[C@H](NS(=O)(=O)c1ccccc1F)c1nnnn1-c1ccccc1 71909141 FNRSGMWXGCKPOL-NSHDSACASA-N 347.375 1.841 0 40 EDAB Cc1cc(NC(=O)NCCc2nnc3n2CCC3)n(C(C)(C)C)n1 95407847 CDKCNLUMJXEFPV-UHFFFAOYSA-N 331.424 1.848 0 40 EDAB O=C(NC1CC1)[C@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1 69571676 KCEUPTQSBSJZQX-GOEBONIOSA-N 329.379 1.342 0 40 EDAB COCCN1CC[C@H](CNC(=O)NCc2cc(F)ccc2F)C1 69566809 CSOYLFXXOICCCI-GFCCVEGCSA-N 327.375 1.732 0 40 EDAB O=C1C[C@H](C(=O)N2CCC[C@@H](n3ccnc3)C2)CN1Cc1ccco1 69659578 BMRMUNOQZRCEOI-LSDHHAIUSA-N 342.399 1.688 0 40 EDAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)COc1ccc(C(N)=O)cc1 69657101 WYGYUIPQYUKBHC-HNNXBMFYSA-N 347.415 1.024 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 8502833 PGLOJZUOZFOSKM-INIZCTEOSA-N 328.376 1.440 0 40 EDAB Cc1cccc(S(=O)(=O)NCC/N=C(\O)c2ncccc2O)c1 69706930 CMUXJQPDUURADS-UHFFFAOYSA-N 335.385 1.379 0 40 EDAB CCOc1ccc(S(=O)(=O)NC(=O)C[C@H](C)OC)cc1OCC 69707972 SIYDYEAYVXGGHZ-NSHDSACASA-N 345.417 1.714 0 40 EDAB CCOC(=O)c1cnc(-n2cc(C)cn2)nc1N1C[C@H](C)O[C@H](C)C1 17993944 PLGJGASZZKJDOZ-BETUJISGSA-N 345.403 1.761 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1)N1CCC[C@H](Cn2cncn2)C1 69843217 LADDSDMZVMWDIL-RDJZCZTQSA-N 327.432 1.695 0 40 EDAB COc1ccc(-c2nc(CN3CCO[C@H](CN(C)C)C3)no2)cc1 69818987 XCHVFPSDFDRRLD-OAHLLOKOSA-N 332.404 1.508 0 40 EDAB Cc1nccc(C(=O)N2CCCN(Cc3nccn3C(C)C)CC2)n1 69815959 CIYNAHMJTUOOOD-UHFFFAOYSA-N 342.447 1.911 0 40 EDAB CCCn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)n[nH]c1=O 8745651 KJVNUXLOUIBOIU-UHFFFAOYSA-N 339.421 1.998 0 40 EDAB O=C(N1CCOCC1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 97080316 YHIWYKPDZLJMDP-UHFFFAOYSA-N 330.363 1.822 0 40 EDAB Cc1ccc(CC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cn1 70890398 HKBNFRWWGNBEIC-OAHLLOKOSA-N 330.409 1.967 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c(OC)c1 72269053 KLGXKBVOFZCXOK-IRXDYDNUSA-N 348.443 1.304 0 40 EDAB CC(C)c1ncc2c(n1)CN(CC(=O)NCc1ccccn1)CC2 72268551 HJGHGCSBVDXYSO-UHFFFAOYSA-N 325.416 1.670 0 40 EDAB Cn1ccnc1CN1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2CC1 306125994 DIORRPHVVRVPHY-ROUUACIJSA-N 341.459 1.681 0 40 EDAB CCCNC(=O)[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 72276220 WGXANOADAWBAAZ-LSDHHAIUSA-N 347.463 1.180 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)CN1C(=O)CCc3ccccc31)C2 72275529 OKKMMXCCQJMLQS-OAHLLOKOSA-N 338.411 1.602 0 40 EDAB CN(C)[C@H](C(=O)Nc1ccc(OCCC(N)=O)cc1)c1cccnc1 72310069 VHFBEABUGIRYOR-KRWDZBQOSA-N 342.399 1.577 0 40 EDAB Cc1noc(C)c1CC(=O)NCc1cccnc1N1CCN(C)CC1 95955865 XFMZJMXVPJDESH-UHFFFAOYSA-N 343.431 1.297 0 40 EDAB CC(C)(O)[C@@H]1CCCN1C(=O)NCc1ccc(-n2cncn2)cc1 95939285 OXZBGESGFOUFCB-HNNXBMFYSA-N 329.404 1.712 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N1CCO[C@@H](Cc2ccccc2)C1 95988886 XLJPKFVAFQVXGB-ZBFHGGJFSA-N 329.404 1.320 0 40 EDAB O=C(Nc1cccc(C(=O)OC[C@@H]2CCCN2)c1)c1cc[n+]([O-])cc1 95971582 DHZZKWIPDPUKSM-INIZCTEOSA-N 341.367 1.481 0 40 EDAB CCc1n[nH]c([C@H]2CN([C@@H](C)C(=O)Nc3cc(C)no3)CCO2)n1 89289807 VPBSLPXQIJNTRY-WDEREUQCSA-N 334.380 1.064 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3ccc(NC4CC4)nc3)CCO2)n1 89289786 DBAHLIITMYXILH-ZDUSSCGKSA-N 342.403 1.550 0 40 EDAB CCn1cc([C@@H]2OCC[C@@H]2CNCc2c(C)nn(CCO)c2C)cn1 89305998 TUSOCFSLDUJJHH-CRAIPNDOSA-N 347.463 1.576 0 40 EDAB NC(=O)c1cccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)c1 75136933 YHPQOFXESFPKRX-MRXNPFEDSA-N 331.416 1.112 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCCc2nc(C)cs2)o1 89705558 FZZINYQMQKLNHK-UHFFFAOYSA-N 330.387 1.352 0 40 EDAB O=c1[nH]c(Cn2c(-c3cccnc3)noc2=O)nc2ccsc12 89794120 QAYJUKKUYSMCBR-UHFFFAOYSA-N 327.325 1.245 0 40 EDAB C[C@@H](CNC(=O)NCCc1nnc2n1CCCCC2)N(C)C1CC1 89901066 XCLYDJVJACQDRQ-ZDUSSCGKSA-N 334.468 1.329 0 40 EDAB CCN(CC)S(=O)(=O)NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 76016799 IDDOUGZYQZPKHH-ZJUUUORDSA-N 332.372 1.771 0 40 EDAB Cn1ccc(CN2CCO[C@H](c3nc(C(C)(C)C)n[nH]3)C2)cc1=O 76049952 BHCDOEXEBJDLAZ-ZDUSSCGKSA-N 331.420 1.374 0 40 EDAB C[C@@H]1CCc2ccccc2N1CCNC(=O)c1cn(C)ccc1=O 1548453706 FVVZVTZSKBRSLT-CQSZACIVSA-N 325.412 1.956 0 40 EDAB C[C@@]1(C(=O)NCCCn2cccn2)Sc2ccccc2NC1=O 40774314 QWPDFFDRPZWHKA-INIZCTEOSA-N 330.413 1.893 0 40 EDAB Cn1cc(CN2CC3(C[C@@H](CCOc4ncccn4)CCO3)C2)cn1 306143649 YHWYAZKGQBSGAU-HNNXBMFYSA-N 343.431 1.660 0 40 EDAB COC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 408620240 NMWGURDXINRGDI-NEPJUHHUSA-N 344.433 1.001 0 40 EDAB NC[C@@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218500136 FFTOTBKRELNJLK-IXDOHACOSA-N 335.400 1.703 0 40 EDAB Cc1cc(C)n(CCNC(=O)c2cccc3c2NCCC3)c(=O)n1 71422134 UIAKJBFSUPOJGF-UHFFFAOYSA-N 326.400 1.648 0 40 EDAB CC(C)N(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CN 79392949 VHNFYEITJIWGBW-MRXNPFEDSA-N 333.432 1.841 0 40 EDAB CCS(=O)(=O)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 72327377 VPJMTPZFNYFBTI-NWDGAFQWSA-N 333.413 1.135 0 40 EDAB Cc1cc(C)n(CCCNC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)n1 72239547 BGFYPIXFGZSZHT-INIZCTEOSA-N 344.415 1.790 0 40 EDAB CCCS(=O)(=O)NC1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 30135736 FDRVXVRPXZWIQG-MRXNPFEDSA-N 344.452 1.653 0 40 EDAB Cc1ccc2c(c1)oc(=O)n2CCNC(=O)c1cnn2cccnc12 72342206 QRBSUYCWJAAIPF-UHFFFAOYSA-N 337.339 1.376 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCCC2)N=c1[nH]c2ccccc2[nH]1 71280423 WAOLSYYZDMSBEN-UHFFFAOYSA-N 337.383 1.449 0 40 EDAB CCOC(=O)CN1CC(Br)=C(Br)C1=O 217579714 HIDLQFSEEDLHLA-UHFFFAOYSA-N 326.972 1.393 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 222880488 XEQHKXUFLDIINN-UHFFFAOYSA-N 335.809 1.832 0 40 EDAB O=C(/C=C/c1cccnc1)NCCn1cnc2ccsc2c1=O 225776468 LXANREINYGPTCD-ONEGZZNKSA-N 326.381 1.683 0 40 EDAB CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4C)n3)cn2)CC1 49155115 OPUUPNXLIMRUCR-AWEZNQCLSA-N 328.420 1.650 0 40 EDAB biogenic,in-vitro CN(C(=O)c1ccnc(C2CC2)n1)C1CCN(c2cnccn2)CC1 329873271 BYOOLRJWTVAJKQ-UHFFFAOYSA-N 338.415 1.885 0 40 EDAB CCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224423296 NIBKFQWAHSBKAL-UHFFFAOYSA-N 340.445 1.766 0 40 EDAB O=S(=O)(C1CC1)N1CCOC[C@H]1c1ncnn1-c1ccccc1 225450755 DOSXQMMECIMEFQ-AWEZNQCLSA-N 334.401 1.133 0 40 EDAB COC(=O)c1ccc(Cn2ncn3nc4c(c3c2=O)CCCC4)o1 225585136 JNOJMQYIPIDBDC-UHFFFAOYSA-N 328.328 1.198 0 40 EDAB O=c1[nH]cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(=O)[nH]1 223283179 FZHRYQLTZIDOMO-UHFFFAOYSA-N 336.156 1.171 0 40 EDAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(N2CCOCC2)on1 224076909 CGJPNKRFHDCLBO-UHFFFAOYSA-N 331.328 1.535 0 40 EDAB CCn1ncnc1CNS(=O)(=O)c1c(F)c(F)cc(F)c1F 225754757 BKNXMRKJLHQMAQ-UHFFFAOYSA-N 338.286 1.333 0 40 EDAB Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCN(C)C1=O 80760236 ATNKBQPTTFQNPI-JTQLQIEISA-N 347.234 1.267 0 40 EDAB O=C(C1CCN(c2ccc(Cl)cn2)CC1)N1C[C@@H](F)C[C@H]1CO 583620539 VNEVBSWKHIOOEV-KBPBESRZSA-N 341.814 1.883 0 40 EDAB CCc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 96410806 YYNPWVBGXUJCHL-CQSZACIVSA-N 341.415 1.316 0 40 EDAB C[C@@H](NC(=O)c1ccc(C(=O)O)cn1)c1nnnn1-c1ccccc1 577690232 UMMKNCUISDUTDX-SNVBAGLBSA-N 338.327 1.247 0 40 EDAB CCn1nc(C)cc1C(=O)N1C[C@H]2OC[C@@H](Cc3nc(C)no3)[C@H]2C1 96215488 DNXIFTRWQSHESE-UMVBOHGHSA-N 345.403 1.233 0 40 EDAB Fc1cnc(N2C[C@H](OCCN3CCCC3)[C@H]3OCCC[C@H]32)nc1 96040934 IMPDTYACBJYZHP-PMPSAXMXSA-N 336.411 1.464 0 40 EDAB O=S(=O)(NCCCN1CCCC1)c1ccc(Br)cn1 96427636 XUKBYZRYBZQARK-UHFFFAOYSA-N 348.266 1.608 0 40 EDAB Cc1noc([C@@H](C)NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 96420513 ZYZINEJXKSDPBK-IUODEOHRSA-N 330.388 1.456 0 40 EDAB Cn1cc([C@H]2CC(=O)NC23CCN(CC2CCOCC2)CC3)cn1 96061505 AFYVUYBDKXTOPQ-MRXNPFEDSA-N 332.448 1.285 0 40 EDAB Cn1cc(CN2CC[C@]3(CCCN(c4ncc(F)cn4)C3)C2)cn1 96158297 GOWZBGRTYSVZKS-QGZVFWFLSA-N 330.411 1.842 0 40 EDAB CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1cccnc1)C2 96060870 RKSMHXHVQMJDIS-MRXNPFEDSA-N 344.463 1.371 0 40 EDAB O=C(c1ccco1)N1CCOC[C@]2(C[C@@H](CN3CCCC3)CO2)C1 96052033 BNAFWLPEHYKZNV-YJBOKZPZSA-N 334.416 1.623 0 40 EDAB COC[C@H]1CN(C(=O)c2cnccn2)Cc2ncn(CC3CC3)c21 96045079 LBIGMOKXRQWIMQ-CYBMUJFWSA-N 327.388 1.469 0 40 EDAB CN1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CCN3Cc3cccs3)O2)CC1 96083182 UBJAPOAZKAPHIY-BRWVUGGUSA-N 349.500 1.644 0 40 EDAB COCCn1nnc2ccc(NC(=O)CCn3cccc3)cc2c1=O 524733837 UKUIQHQSCSKEDA-UHFFFAOYSA-N 341.371 1.268 0 40 EDAB Cc1ncsc1C(=O)NC[C@]1(O)CCCN(c2cnccn2)C1 257304776 SNCKKQCNFKZBDF-OAHLLOKOSA-N 333.417 1.003 0 40 EDAB Cc1cccc(N2CCC[C@H](N(C)S(=O)(=O)c3cn(C)cn3)C2)n1 257233337 GOWDNHKHIDCGLP-AWEZNQCLSA-N 349.460 1.413 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 585086826 YJJMHMYMPVMHBE-SQNXGDPESA-N 348.365 1.717 0 40 EDAB Cn1ccnc1CN1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257202635 AMRURNJMPONYKP-AWEZNQCLSA-N 326.404 1.154 0 40 EDAB C[C@H](CCO)NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 585114155 RZCQJBIKIKMWNC-CHWSQXEVSA-N 342.436 1.290 0 40 EDAB O=C(N[C@@H](CO)C(=O)NCCc1ccccn1)OCc1ccccc1 585121860 CPAFVZMTAKATNG-INIZCTEOSA-N 343.383 1.028 0 40 EDAB CCOC(=O)[C@H](NC(=O)c1cccc(OC)c1)[C@H](O)c1ccncc1 585128896 QFVKOGCNANBIFC-HZPDHXFCSA-N 344.367 1.485 0 40 EDAB CC(C)(C)c1nc(C(=O)N2C[C@H](C(=O)O)CC[C@@H]2C(=O)O)cs1 585134253 KCUAJJIRDKBLBP-PSASIEDQSA-N 340.401 1.831 0 40 EDAB COCCOc1cccc(C(=O)Nc2cc(CO)cc(CO)c2)c1 585131168 NPGRYVVCXNARDU-UHFFFAOYSA-N 331.368 1.949 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(CO)cc(CO)c1 585131035 JNJTUSZYDBWRRQ-DIFFPNOSSA-N 329.352 1.838 0 40 EDAB COc1ccc(CNC(=O)N[C@@H]2CCn3nccc3C2)cc1OC 253473590 WPOJCBMUKDVLHQ-CYBMUJFWSA-N 330.388 1.715 0 40 EDAB c1cc(CO[C@@H]2CN(C3CCOCC3)Cc3ccnn3C2)ccn1 253588821 UQUWHLULVYOEAH-GOSISDBHSA-N 328.416 1.858 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1Cc1nccn1C 257266562 MDNXCYLDHWVPAT-OAHLLOKOSA-N 328.420 1.492 0 40 EDAB COCCc1ncc(CN2CCO[C@@H](c3ccc(C)cn3)C2)cn1 257277895 NZYIUJUAKXGFIA-QGZVFWFLSA-N 328.416 1.942 0 40 EDAB COC(=O)C1(NS(=O)(=O)c2c(C)cccc2F)CCSCC1 274734608 HQMQNFNUBDFYBZ-UHFFFAOYSA-N 347.433 1.851 0 40 EDAB O=C(c1ccccn1)N1CCN(C(=O)[C@@H]2CCCN[C@@H]2C2CC2)CC1 1615044778 IYGBJAWKSVCUSB-NVXWUHKLSA-N 342.443 1.144 0 40 EDAB O=S(=O)(Cc1ccon1)N1CCN(CC2[C@@H]3CCC[C@@H]23)CC1 1615590160 JQTTUCLRZMQRBZ-ZIAGYGMSSA-N 325.434 1.168 0 40 EDAB Cn1nccc1S(=O)(=O)N1C[C@H](CCC(=O)O)Cc2ccccc21 1615572266 WIKRKOHIUNYCHD-GFCCVEGCSA-N 349.412 1.653 0 40 EDAB N[C@@H]1C[C@@H](NC(=O)c2nn3c(c2Br)CCC3)C12CCC2 1615555457 UAGSFSHUFPXCEG-NXEZZACHSA-N 339.237 1.592 0 40 EDAB Cc1ccnc(Nc2cc(NCCNS(C)(=O)=O)nc(C)n2)c1 90607976 AYJMHPCILSZMKA-UHFFFAOYSA-N 336.421 1.193 0 40 EDAB O=C(Cn1ncccc1=O)N1CCC(Oc2ccncc2Cl)CC1 390826283 HAXUKVGOWMYKID-UHFFFAOYSA-N 348.790 1.362 0 40 EDAB O=C(c1ccccc1)N1CCO[C@@H]2CN(C(=O)C3(F)CCC3)C[C@@H]2C1 585107968 OBHLOPRCIICTAT-JKSUJKDBSA-N 346.402 1.878 0 40 EDAB CS(=O)(=O)CCN1C(=O)CC[C@]12CCCN(CC1CC1)CC2 585100738 VAVGYSLBCILOCC-INIZCTEOSA-N 328.478 1.288 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)Cc2c(C)[nH]c3c(C)cccc23)[C@@H]1O 585286193 VFOQWIGBXRBEOG-NRXGSXMXSA-N 346.427 1.466 0 40 EDAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)C2CCC2)Cc2cncn21 585096146 VCFPTMVXICUKPW-HNNXBMFYSA-N 344.440 1.944 0 40 EDAB O=C(CS(=O)(=O)C1CC1)N[C@H]1COc2ccc3ccccc3c2C1 685939045 JFQROOADJXCBEZ-CYBMUJFWSA-N 345.420 1.837 0 40 EDAB C[C@H](NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)C(=O)N1CCCCC1 83995736 OAPONOMDJHHOSC-GJZGRUSLSA-N 347.463 1.395 0 40 EDAB C[C@H](NC(=O)Cn1cnnn1)c1noc(-c2ccc(Cl)cc2)n1 79606545 YIWGQKBXAJNEGE-QMMMGPOBSA-N 333.739 1.254 0 40 EDAB Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)N1CCc2ccccc2C1 81813553 JONYHOQSOGXXJR-SUMWQHHRSA-N 339.443 1.984 0 40 EDAB Cc1ccc(NCCCNC(=O)C2(O)Cc3ccccc3C2)nc1 89652301 KCAVZQPIABJOPZ-UHFFFAOYSA-N 325.412 1.838 0 40 EDAB Cc1ccc(N2CC[C@@H](C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)C2=O)cc1 97372183 KKXWIPQADZSWKG-AWEZNQCLSA-N 413.499 2.527 0 40 EDAB COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)[C@H](C)C1CC1 585088193 OHIQALIBQYCTFZ-SCVCMEIPSA-N 328.434 1.002 0 40 EDAB O[C@H]1CCN(C2CCOCC2)C[C@]1(O)COc1cccc(Cl)c1 1615086846 JTTQOJYFEFRXKA-IRXDYDNUSA-N 341.835 1.696 0 40 EDAB COCc1nc(C(=O)N2CCCC[C@H]2C(=O)NCC(F)F)co1 1615621951 LKIDZGYFGXGVJJ-JTQLQIEISA-N 331.319 1.197 0 40 EDAB Cn1cc(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cn1 2764929 ZVNZAZLZPKRSCL-UHFFFAOYSA-N 327.310 1.829 0 40 EDAB Cc1ncsc1C(=O)N1CCC[C@H](Oc2nccnc2N(C)C)C1 225506177 UGOZZJJPIQOPHE-LBPRGKRZSA-N 347.444 1.991 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1 34916017 BDRXQULLIIKTPH-INIZCTEOSA-N 345.443 1.186 0 40 EDAB Cc1cc(C(=O)N2CCN(c3nc(C)c(F)c(O)n3)CC2)ncc1F 1888844062 UTYKPSQEMIDBQU-UHFFFAOYSA-N 349.341 1.435 0 40 EDAB O=C([C@@H]1CN(c2ccncc2Br)CCO1)N1CCCC1 1888844665 WWYQEZPWCXUVGR-ZDUSSCGKSA-N 340.221 1.672 0 40 EDAB CCc1cnc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)nc1 1888854632 JROKZCKIYITVSZ-UHFFFAOYSA-N 339.447 1.756 0 40 EDAB CCc1cc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)ncn1 1888854644 KSDIIRXVVBRBPC-UHFFFAOYSA-N 339.447 1.756 0 40 EDAB O=C(COCc1ccccc1)NCC1(O)CSCCSC1 1888864412 JENBKWQAYNCNAH-UHFFFAOYSA-N 327.471 1.531 0 40 EDAB Cc1cc(CN2C[C@H]3CN(c4ccc5nnc(C)n5n4)C[C@H]3C2)on1 1888897024 JGKBMPHDSQEQBE-OKILXGFUSA-N 339.403 1.297 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N(C)C[C@@H]1COc2ccccc2O1 24662247 YACPNKKOSCLCIJ-CQSZACIVSA-N 329.400 1.878 0 40 EDAB CCN(C(=O)c1ccc(Br)cc1)[C@H]1CC(=O)NC1=O 103387995 XDNYUJJZNRWWHT-JTQLQIEISA-N 325.162 1.326 0 40 EDAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1 6818968 BPAFUNCXHADZSY-UHFFFAOYSA-N 347.440 1.740 0 40 EDAB CC(C)N1C[C@H]2CN(C(=O)c3ccc(F)cc3)CC[C@@H]2OCC1=O 2037985182 ZWUKBEUYTLHDSD-ZBFHGGJFSA-N 334.391 1.924 0 40 EDAB Cn1cccc(C(=O)N2CCn3c(-c4cccs4)cnc3C2)c1=O 1565555759 GYDIUVOYFJOSEQ-UHFFFAOYSA-N 340.408 1.966 0 40 EDAB CC(C)N(C)CC(=O)N1CCC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565551768 KKALWADTLITCNX-CRAIPNDOSA-N 347.463 1.379 0 40 EDAB O=C(c1ccccc1)N1CCc2ncnc(N3CCOCC3)c2CC1 1565550385 BMRCATLOJKIPBP-UHFFFAOYSA-N 338.411 1.554 0 40 EDAB O=C(NCc1cccnc1)c1ccc(S(=O)(=O)N2CCCC2)o1 32152832 SMPZLGMUBOATLS-UHFFFAOYSA-N 335.385 1.389 0 40 EDAB Cc1noc(CN2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298188582 ACBQEUVREUSWIS-LBPRGKRZSA-N 328.363 1.848 0 40 EDAB COC(=O)c1cnc(N(C)C)nc1CSc1nnc(C2CC2)o1 72242868 HNGKKRJIMGHESD-UHFFFAOYSA-N 335.389 1.882 0 40 EDAB C[S@@](=O)CCNCc1cc(-c2ccc(F)cc2)cn2nnnc12 72392376 PSSZVGANRAEXSH-QHCPKHFHSA-N 333.392 1.399 0 40 EDAB CC(=O)N1CCOC[C@@H]1C(=O)N[C@H](C)CCc1ccc(F)c(F)c1 95978668 MCMCQSLMBVDZAQ-BDJLRTHQSA-N 340.370 1.649 0 40 EDAB Cc1nc(C)c(C(=O)NCc2nc(-c3ccc[nH]c3=O)no2)s1 225803828 UXWYAHXZYBQDQC-UHFFFAOYSA-N 331.357 1.428 0 40 EDAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccn1 30863074 NNYXSTKFIVJZSU-UHFFFAOYSA-N 338.816 1.868 0 40 EDAB CCc1ccc(OC[C@@H](O)Cn2c(C)cc(=O)n3ncnc23)cc1 40498033 HLMCQHSOBBSSDS-AWEZNQCLSA-N 328.372 1.202 0 40 EDAB O=S(=O)(NCCCOC[C@@H]1CCCO1)c1ccc2c(c1)CCO2 40468872 AKSSBDRLQANWAJ-AWEZNQCLSA-N 341.429 1.486 0 40 EDAB CCC(C)(C)NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 40473986 MWOYJHXFMOMBOF-CYBMUJFWSA-N 342.461 1.574 0 40 EDAB CC[C@@H]1c2ccsc2CCN1C(=O)Cn1ccc(=O)n(C)c1=O 40516179 KNPNUXOGFOYJKM-GFCCVEGCSA-N 333.413 1.145 0 40 EDAB COCC(=O)NC1CCN(Cc2nc(-c3cccc(C)c3)no2)CC1 40540217 WXHWNYQCEFPMSF-UHFFFAOYSA-N 344.415 1.772 0 40 EDAB OCCN1CCN(Cc2cn3cc(Br)ccc3n2)CC1 51559780 PWJNMXUGDSBCBL-UHFFFAOYSA-N 339.237 1.207 0 40 EDAB CN1CCN(C(=O)C2CCN(c3cnc4ccccc4n3)CC2)CC1 52161216 SDSFEAGTQXMUBH-UHFFFAOYSA-N 339.443 1.620 0 40 EDAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCC(=O)NC(C)(C)C)c1 21903694 KVNJAWKMBUPDGE-UHFFFAOYSA-N 348.403 1.248 0 40 EDAB CCOc1ccc2nc(NC(=O)CN3CCN(C)CC3)sc2c1 22806494 HEEKRHBZNRMUKY-UHFFFAOYSA-N 334.445 1.881 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cccs2)cc1 42244858 MORPHHMNYRVVNE-UHFFFAOYSA-N 345.423 1.270 0 40 EDAB Cc1cc(C)n(CCCNC(=O)CNC(=O)c2ccc(C)s2)n1 23246589 DDCIXGADMLPFNY-UHFFFAOYSA-N 334.445 1.806 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1CCCCNC1=O 42480480 APQSCBJTXOQHHA-KRWDZBQOSA-N 340.427 1.817 0 40 EDAB O=S(=O)(c1ccccc1)N1CCC(CNCc2cc[nH]n2)CC1 105472761 OTSBBGVFHHJNQJ-UHFFFAOYSA-N 334.445 1.600 0 40 EDAB CCOC(=O)C1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 24154876 FQZIWPAXAIBTTO-UHFFFAOYSA-N 329.360 1.078 0 40 EDAB O=S(=O)(Cc1cccc2cccnc12)N[C@@H]1CCCn2ncnc21 97013309 LBIFQVBWZOBJLH-CQSZACIVSA-N 343.412 1.781 0 40 EDAB O=C(CNC(=O)c1ccccc1)O[C@H](Cc1ccccc1)C(=O)O 2391056 RVHGIEOTQNCGFG-OAHLLOKOSA-N 327.336 1.656 0 40 EDAB CCOc1ccccc1C(=O)N1CCCN(S(C)(=O)=O)CC1 24777186 LSWGHYTXPZZQNB-UHFFFAOYSA-N 326.418 1.193 0 40 EDAB C[C@H]1CN(CCNC(=O)Nc2nnc(C3CC3)s2)C[C@H](C)O1 43359764 RSYFBCUZGSIUMH-UWVGGRQHSA-N 325.438 1.646 0 40 EDAB CCc1ccc2oc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 6811280 MPXLMDDFCYUNQS-NSHDSACASA-N 335.381 1.272 0 40 EDAB O=C(Nc1nccs1)[C@H]1CCCN(C(=O)NC[C@H]2CCCO2)C1 56779764 WVNOCVMCYINORX-NWDGAFQWSA-N 338.433 1.682 0 40 EDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc2c(c1)CCO2 26235042 QGXZZRNSNWKWJP-UHFFFAOYSA-N 342.351 1.538 0 40 EDAB COc1ccccc1OC(=O)Cc1csc(N2CCNC2=O)n1 44259244 FKDPTUJWKQQQAJ-UHFFFAOYSA-N 333.369 1.829 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)C2)no1 72231847 WODDRERFGJFWSA-KBPBESRZSA-N 334.420 1.589 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2cccs2)C1=O 57761004 VYYAYDJVUKBGPG-JTQLQIEISA-N 337.401 1.516 0 40 EDAB COCc1ccccc1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 44550482 MQWJDRHMXMCVER-UHFFFAOYSA-N 347.396 1.269 0 40 EDAB Cc1nc(NC(=O)CNC(=O)c2ccc(Br)s2)n[nH]1 72294397 SMRKFFGDMQRYPF-UHFFFAOYSA-N 344.194 1.306 0 40 EDAB C[C@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccccc1 58162356 RBPQKTVIWRPCBS-ZDUSSCGKSA-N 347.440 1.129 0 40 EDAB COCCN(C(=O)C1CCN(C(=O)C2CC2)CC1)[C@@H](C)COC 58154308 UZCUAKWVYIOWAD-ZDUSSCGKSA-N 326.437 1.145 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)CCNc1cc(Cl)ccc1OC 58295629 QMKQXZRZPTXFOE-SNVBAGLBSA-N 327.812 1.791 0 40 EDAB COc1cccc(CN(C)C(=O)N[C@H]2CCCCNC2=O)c1OC 44967982 ATVPIJDTRATRFS-ZDUSSCGKSA-N 335.404 1.514 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(Cc2noc(-c3ccco3)n2)C1=O 44944260 ALOMKOIROKJMNY-HNNXBMFYSA-N 328.284 1.890 0 40 EDAB Cc1cc(CNC(=O)CS(=O)(=O)C[C@H]2CCCO2)ccc1F 44938313 VCXMNBKMEJRRNY-CYBMUJFWSA-N 329.393 1.344 0 40 EDAB COc1ccc(OC)c([C@H](O)CN2CCN(c3ncccn3)CC2)c1 44974154 DQNFJJDXDOYOOL-MRXNPFEDSA-N 344.415 1.349 0 40 EDAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nncs1 44903933 WOKSFNFAUDZMDE-SNVBAGLBSA-N 331.357 1.657 0 40 EDAB CC[C@H]1CN(S(=O)(=O)c2cc(OC)c(OC)cc2F)CCO1 28036055 MKIRIEMAQIUADT-JTQLQIEISA-N 333.381 1.642 0 40 EDAB CC(C)c1cccc(OCC(=O)NCCCN2CCN(C)CC2)c1 58430703 LDWNZPAMTSQWOM-UHFFFAOYSA-N 333.476 1.943 0 40 EDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3cccs3)CC2)C1 108527108 RTJKXBQTJRZNLT-CYBMUJFWSA-N 344.502 1.811 0 40 EDAB C[C@@H](CCn1cncn1)NS(=O)(=O)Cc1ccc(F)c(Cl)c1 95439781 MGGCOZKTQCMLIU-JTQLQIEISA-N 346.815 1.969 0 40 EDAB CCCn1nc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)ccc1=O 29254128 GUHWILWTOPECJP-LBPRGKRZSA-N 344.419 1.462 0 40 EDAB CNS(=O)(=O)c1cccc(CNc2nn3cc(C)nc3s2)c1 29623841 CKARGSMIQYZNPF-UHFFFAOYSA-N 337.430 1.619 0 40 EDAB COc1ccc(/C=C/C(=O)NCCC(=O)N2CCCN(C)CC2)cc1 2659225 UEDXBIQYIXXBBS-RMKNXTFCSA-N 345.443 1.379 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NCc2cccc(-n3cccn3)c2)C1 95415425 UBUPYMZNPUIJGW-HNNXBMFYSA-N 334.445 1.386 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CCc2ccccn2)cc1 47213963 ZZOSMTWDPQJLLT-UHFFFAOYSA-N 333.413 1.903 0 40 EDAB O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1ccc2[nH]cnc2c1 95431909 RWUZTPRBPWIJLK-CYBMUJFWSA-N 335.367 1.602 0 40 EDAB CCN1CCN(CCNC(=O)c2cc(C3CC3)nn2C(C)(C)C)CC1 48132193 KUIUJQONMGMOSD-UHFFFAOYSA-N 347.507 1.883 0 40 EDAB C[C@@H](OC(=O)c1cc2ccccc2cc1O)C(=O)N1CCNC1=O 48312383 JDOBAVPCLDFOEL-SNVBAGLBSA-N 328.324 1.643 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(Cl)cc2)C1 48333307 LGVXIYBLLJVMJJ-CYBMUJFWSA-N 345.852 1.563 0 40 EDAB NC(=O)c1cccc(NC(=O)Cc2csc(N3CCCC3=O)n2)c1 12889675 VUFAKOUZGWLKLS-UHFFFAOYSA-N 344.396 1.550 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cnn(C)c2)cc1OC 12852947 OUMMYWDAPDMOMO-NSHDSACASA-N 347.371 1.299 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(C(N)=O)CC1 12910612 ORSAENUYQFFLEN-UHFFFAOYSA-N 334.464 1.812 0 40 EDAB COc1ccccc1NC(=O)c1nc(S(C)(=O)=O)ncc1Cl 9184402 YAHHGBFWOIPEMR-UHFFFAOYSA-N 341.776 1.794 0 40 EDAB CC(C)Oc1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1 13568295 DRHDZJCNKBIFPR-UHFFFAOYSA-N 328.372 1.424 0 40 EDAB O=S1(=O)CC[C@H](N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 95428405 QUFYISAQHKUJGO-LBPRGKRZSA-N 349.378 1.410 0 40 EDAB CCc1nnc2n1C[C@@H](NCc1ccc(S(C)(=O)=O)cc1)CC2 97199557 DSSSSAADHCOLCP-ZDUSSCGKSA-N 334.445 1.349 0 40 EDAB CCS(=O)(=O)N(C)C1CCN(Cc2ccc3c(c2)CCO3)CC1 111238594 LBXSCODOSKJADY-UHFFFAOYSA-N 338.473 1.867 0 40 EDAB Cc1csc(=O)n1CCC(=O)N1CCC[C@@H](c2nncn2C)C1 65452953 AQYILOUDJCEREC-GFCCVEGCSA-N 335.433 1.143 0 40 EDAB C[C@H](CNC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)N1CCCC1 65439569 FLYFRSNTFBLNHH-CYBMUJFWSA-N 343.431 1.549 0 40 EDAB COc1ccc(NCC(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)cc1 6388429 YXXXTYSILOKCCB-ZDUSSCGKSA-N 331.294 1.966 0 40 EDAB CN1CCO[C@@H](CNc2nc(-c3ccncc3)nc3c2CCC3)C1 65614332 IXDDINICXBFTRV-AWEZNQCLSA-N 325.416 1.770 0 40 EDAB CC(C)(CNC(=O)CCN1CCOC1=O)c1ccc2c(c1)OCCO2 65625270 KVPSGEMYDMWPGZ-UHFFFAOYSA-N 348.399 1.694 0 40 EDAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)cc1F 5519535 DSDUBCSRWOHYSX-ZDUSSCGKSA-N 326.299 1.782 0 40 EDAB Cn1cccc1[C@H]1COCCN1C(=O)c1ccc2c(c1)nnn2C 97143897 KDECHYXJZWELLZ-MRXNPFEDSA-N 325.372 1.521 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)no1 5738524 IZSPUUQQXPKTMF-UHFFFAOYSA-N 328.280 1.885 0 40 EDAB C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(N)=O 6872193 PHNRRZFPWNKWCO-LBPRGKRZSA-N 336.351 1.965 0 40 EDAB Cc1cccn2c(=O)c3cc(C(=O)NCCCN(C)C)sc3nc12 6816497 GTZAQPICJOYPQG-UHFFFAOYSA-N 344.440 1.899 0 40 EDAB Cn1cc(-c2cnc3n2C[C@]2(CCN(S(=O)(=O)C4CC4)C2)C3)cn1 306135840 PCIAUKFLGSPUOP-MRXNPFEDSA-N 347.444 1.024 0 40 EDAB Nc1nonc1C(=O)NCCNCc1cccc(Cl)c1Cl 4998068 GJPJLMQJDJZSIU-UHFFFAOYSA-N 330.175 1.478 0 40 EDAB CCn1nc(C)c(CNC(=O)NC2CCN(C(=O)C3CC3)CC2)c1C 67388565 RDUWMTLQVKIVLO-UHFFFAOYSA-N 347.463 1.720 0 40 EDAB CCN1CCCC[C@@H]1C(=O)N1CCN(c2nccc(OC)n2)CC1 69350098 XLYOOLCNCHIRMO-CQSZACIVSA-N 333.436 1.008 0 40 EDAB CCCc1cc(N2CCO[C@@H](Cn3cc(C)cn3)C2)n2ncnc2n1 69420786 ONJLDYPTYWBBOE-OAHLLOKOSA-N 341.419 1.487 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)N(C)Cc3ccsc3)CCO2)c1 69451476 FGBHNNZUMLBJEG-INIZCTEOSA-N 348.472 1.612 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N1CCCC[C@H]1Cn1cccn1 71865280 LPWPTHRXRNYXMV-AWEZNQCLSA-N 339.461 1.622 0 40 EDAB CCCCN(C)S(=O)(=O)N1CCN(C[C@H]2CCCCN2C)CC1 69658129 LIFCJYNFNZZYGQ-MRXNPFEDSA-N 346.541 1.065 0 40 EDAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCN(Cc2nccn2C)CC1 69662733 QNCIGSFKRALEAJ-GOSISDBHSA-N 341.459 1.367 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CN1C(=O)CSc2ccccc21 71829776 QBLADNQGZMEGSM-NWDGAFQWSA-N 347.440 1.238 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCCOc1ccc(F)cc1F 71882761 RBTNTERMPZGSMD-JTQLQIEISA-N 333.356 1.285 0 40 EDAB C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCc2cncnc2C1 69773734 DACFXIITKDQBPW-GFCCVEGCSA-N 337.383 1.209 0 40 EDAB CN(C)C(=O)COc1cccc(CNC(=O)Nc2ccn(C)n2)c1 69775403 QWUOUVGORHKLAF-UHFFFAOYSA-N 331.376 1.209 0 40 EDAB Cc1cc(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)n(C)n1 69742386 QRGMMDGNJHTBFN-ZDUSSCGKSA-N 327.388 1.935 0 40 EDAB C[C@@H](NC(=O)[C@@H](C)N1CCN(CCO)CC1)c1cc2ccccc2o1 69899472 JKENTGUPIGOPQH-HUUCEWRRSA-N 345.443 1.608 0 40 EDAB CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](n3ccnc3)C2)c1 69948419 KWSSYVIFJPAQQQ-AWEZNQCLSA-N 333.413 1.764 0 40 EDAB CCO[C@@H]1CCCN(C(=O)CCn2c(=O)n(C)c3ccccc32)C1 71825593 UANCGCSJXLNCEH-CQSZACIVSA-N 331.416 1.758 0 40 EDAB COC(=O)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1)CC(C)C 71922055 LSOKKBXBPHHHCC-KGLIPLIRSA-N 341.452 1.332 0 40 EDAB CCOCCNC(=O)COc1ccccc1I 84505647 MOKVQRMALMVTOF-UHFFFAOYSA-N 349.168 1.823 0 40 EDAB Cc1cn(-c2ccccc2)nc1NC(=O)[C@H](C)N1CCN(C)CC1 95389695 GVHMVGZOCJLBDE-HNNXBMFYSA-N 327.432 1.755 0 40 EDAB CN(C)c1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)c2ccccc2n1 97060227 RQTHEIAYCBLFAT-DLBZAZTESA-N 340.427 1.456 0 40 EDAB CN1CCN(C[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 28297167 REDAMELUFFOXMZ-LBPRGKRZSA-N 342.365 1.663 0 40 EDAB OCc1cc(F)cc(CO)c1OCc1ncn(-c2ccccc2)n1 95939916 CUBGILNYAXKYJS-UHFFFAOYSA-N 329.331 1.970 0 40 EDAB CCO[C@H](C)c1noc(CNC(=O)[C@H]2Cc3ccccc3CN2)n1 95971160 ODYXMFCNTJPVRM-BXUZGUMPSA-N 330.388 1.498 0 40 EDAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cc(C(F)(F)F)c[nH]c1=O 75118043 FQIDEMZIUOOQBN-SSDOTTSWSA-N 338.307 1.157 0 40 EDAB CC(C)C(=O)N1CC[C@H](NC(=O)N2CCC(n3ccnc3)CC2)C1 89775620 VXJLTZHJHJUQCX-AWEZNQCLSA-N 333.436 1.487 0 40 EDAB CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)NC[C@@H]1CCCO1 89802021 CVDGPQXCJZZJTQ-KKUMJFAQSA-N 346.493 1.416 0 40 EDAB CC[C@H](C)NC(=O)CN1CCN(C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 89942289 AGBSQZKYXGBJNZ-JYJNAYRXSA-N 338.496 1.902 0 40 EDAB CC[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@@H]1N(C)C 89948457 LTGYMFUVEFZTSS-CJNGLKHVSA-N 328.416 1.195 0 40 EDAB O=C(c1cc2c(s1)CCOC2)N1CCN([C@H]2CCC[C@@H]2O)CC1 75606341 AIYFZMPDKGRITG-KBPBESRZSA-N 336.457 1.492 0 40 EDAB CCn1nnc2cc(C(=O)N3C[C@H](C)[C@H](N4CCOCC4)C3)ccc21 76054420 JDDXBBFINGOYAZ-SUMWQHHRSA-N 343.431 1.244 0 40 EDAB COCCOc1ccccc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 76052150 LLKGGNGDYPBZMU-WBVHZDCISA-N 348.443 1.505 0 40 EDAB NC(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 20888624 VZLLTIYVNJEJJS-UHFFFAOYSA-N 327.340 1.878 0 40 EDAB O=C1[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccccc1F 409305017 MMSYFOYTQXYIRP-ZOPJHEKZSA-N 331.299 1.012 0 40 EDAB COCCOCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 68110275 OIOHIVSVGJPYLO-ZDUSSCGKSA-N 342.392 1.329 0 40 EDAB O=C([C@@H]1CCCN1c1nc2cccnc2s1)N1CCCNCC1 32918566 YJGJMHGSCGNLRF-ZDUSSCGKSA-N 331.445 1.482 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC[C@]1(C)C(=O)O 530209804 YISBEHQKLTXJFU-XHBSWPGZSA-N 325.409 1.330 0 40 EDAB Cc1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1-n1cnnn1 32356662 JQQIORGQMMOWLX-UHFFFAOYSA-N 336.311 1.658 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](O)C1CCCCC1 70636805 GZZKRBVUKDKAAF-CQSZACIVSA-N 348.399 1.089 0 40 EDAB CN(C)c1ccccc1CN1CCC(N(C)S(C)(=O)=O)CC1 72582049 VZDGEZDIVYCKEN-UHFFFAOYSA-N 325.478 1.608 0 40 EDAB O=C(Nc1cccc2nsnc12)C1CN(C(=O)c2cnccn2)C1 70841093 WICJNNRSUGAJOT-UHFFFAOYSA-N 340.368 1.192 0 40 EDAB Cn1cc([C@](C)(O)CNC(=O)N[C@H]2CCN(CC3CCCC3)C2)cn1 76205927 WKRUEEOSSODQJA-FUHWJXTLSA-N 349.479 1.191 0 40 EDAB COCC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1 72341005 TUVWSNLTIOINDQ-HNNXBMFYSA-N 326.356 1.545 0 40 EDAB COC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C 217418527 XEEVOKXWZMXKTR-JTQLQIEISA-N 330.406 1.518 0 40 EDAB N[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218484577 JKUXKKNUZIABGL-JYJNAYRXSA-N 337.828 1.970 0 40 EDAB O=S(=O)(Cc1csc(CN2CCOCC2)n1)c1ccccc1 76316427 PVJVHYONWCLZFX-UHFFFAOYSA-N 338.454 1.949 0 40 EDAB CCN1CCN(S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)CC1 74965954 XZEPMZPPLHDSIC-UHFFFAOYSA-N 326.418 1.108 0 40 EDAB COc1ccccc1N1CCN(CC(=O)Nc2cccnc2)C1=O 49026337 FDUMPCJIMRLWOE-UHFFFAOYSA-N 326.356 1.971 0 40 EDAB CN1CCN(C(=O)c2ccnc(-n3cncn3)c2)c2ccc(F)cc21 96432408 SRLBCVLYOGGPAO-UHFFFAOYSA-N 338.346 1.898 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C[C@@H]1CCCO1 96422431 QDYGOCLIFKXZRF-WMZOPIPTSA-N 331.460 1.882 0 40 EDAB Cc1cc(F)ccc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 96483077 CNWOTETUMLVUKT-UHFFFAOYSA-N 328.409 1.536 0 40 EDAB CCNC(=O)c1ncn2c1CN(CC)S(=O)(=O)c1ccccc1-2 96147346 VVFXYDIMTYQRSR-UHFFFAOYSA-N 334.401 1.146 0 40 EDAB COc1ccc(C2=NO[C@@](C)(C(=O)NCCCn3ccnc3)C2)cc1 96192812 VKNQYYYMVVNEEY-GOSISDBHSA-N 342.399 1.981 0 40 EDAB O=C(NCc1cccnc1)N1CC[C@@]2(C[C@H]2C(=O)N2CCCC2)C1 96075011 CWINLSPMFBUNBM-MAUKXSAKSA-N 328.416 1.626 0 40 EDAB COC[C@@H]1CC2(CCN(S(=O)(=O)c3cccnc3)CC2)CN1C 96208641 SIFKOKARLRNCBM-AWEZNQCLSA-N 339.461 1.203 0 40 EDAB CCS(=O)(=O)N1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 96239633 XMIQBEQDJBQLLA-CQSZACIVSA-N 345.415 1.969 0 40 EDAB O=C1N(c2ccccc2)CC[C@@]12CCCN(S(=O)(=O)C1CC1)C2 96224485 XRORXSGOZWKWQP-QGZVFWFLSA-N 334.441 1.998 0 40 EDAB CC(C)Oc1ccc(C(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)cc1 238890280 QNHUPNLLAVHRDJ-OAHLLOKOSA-N 341.411 1.855 0 40 EDAB COc1ncccc1C(=O)N1C[C@@H]2COC[C@H](c3nc(C)no3)[C@@H]2C1 96040747 SDXKYCMZBROQOS-BNOWGMLFSA-N 344.371 1.284 0 40 EDAB Cc1occc1C(=O)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 96202318 ASRAXUHROFPLIJ-SFHVURJKSA-N 342.399 1.747 0 40 EDAB C[C@@H]1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1ccncc1 96109718 KPUWXSICGHNAMH-CQSZACIVSA-N 343.431 1.460 0 40 EDAB O=C(NC1CCCC1)N1CC[C@H]2CO[C@H](CNc3ncccn3)[C@H]2C1 96185545 VCUCGAZZHFZTRG-CWRNSKLLSA-N 345.447 1.878 0 40 EDAB CC(C)N(C)C(=O)C1=NO[C@]2(CCN(C(=O)c3ccncc3)C2)C1 96225524 IEOKUUMCPSNCHI-QGZVFWFLSA-N 330.388 1.309 0 40 EDAB COC[C@H]1c2nnn(CC3CC3)c2CCN1C(=O)c1cccn1C 96068795 CZSIGYJHTANGHO-HNNXBMFYSA-N 329.404 1.413 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(C(=O)c2ccoc2C)C1 583615035 RXWLMENMGGVWLB-YPMHNXCESA-N 327.344 1.628 0 40 EDAB O=C(c1ccccn1)N1CC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 96047746 VOATTWDLUYTDKS-DYVFJYSZSA-N 325.372 1.357 0 40 EDAB CCn1cc(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)cn1 95440521 LLUPPUBLWRGCMC-HOCLYGCPSA-N 330.363 1.744 0 40 EDAB O=C(c1ccncn1)N1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 96187171 GCKFBFKTGIRYSD-IKGGRYGDSA-N 340.383 1.460 0 40 EDAB Cn1cc(C(=O)N2CC3(C[C@@H](OCc4cccnc4)CS3)C2)cn1 248161803 XWBAOBFMYKZDPR-OAHLLOKOSA-N 344.440 1.732 0 40 EDAB O=C(C[C@@H]1CN(Cc2ccco2)Cc2ccnn21)N1CCCCO1 247871897 RFHJXKOYCHFQKF-OAHLLOKOSA-N 330.388 1.977 0 40 EDAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1cccs1 257296052 RBARRUNIJTXHED-INIZCTEOSA-N 332.429 1.642 0 40 EDAB N[C@@H]1CN(C(=O)NCc2ncccn2)CC[C@H]1c1ccc(F)cc1 584731194 IGDHSBXUWONUII-LSDHHAIUSA-N 329.379 1.642 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)c2snnc2C(C)C)CCO1 257260574 LDLFUBDQPFJYRN-SNVBAGLBSA-N 348.432 1.707 0 40 EDAB COC[C@]1(C(N)=S)[C@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 252515874 OGGRRYXSGGBLQV-WZRBSPASSA-N 333.862 1.769 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)Cc3c(C)nc4ccccn34)CCO2)n1 257218824 DENOAMXVSFDHDP-OAHLLOKOSA-N 339.399 1.817 0 40 EDAB Cn1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)n1 252488787 IYZOSYOKTKHXGM-UHFFFAOYSA-N 334.401 1.457 0 40 EDAB CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)C1CCCC1 585127577 DPUZKQQTBCPUJN-QGZVFWFLSA-N 342.436 1.291 0 40 EDAB COc1nsc(CNC(=O)Nc2ccnn2C)c1Br 585136091 PNSBSAGATAMMIW-UHFFFAOYSA-N 346.210 1.969 0 40 EDAB COCOCCCNC(=O)c1c(O)ncc(Br)c1C 585135719 XUXDWHUFVYJWML-UHFFFAOYSA-N 333.182 1.599 0 40 EDAB CN(C)S(=O)(=O)N1C[C@@H](c2ccccc2)[C@@H]2NCCCCC[C@@H]21 257241296 HXNICQOXDXSYKW-ULQDDVLXSA-N 337.489 1.793 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(Cc3cncnc3)CCO2)ccn1 257316079 VEADUDCQNPGTRJ-QGZVFWFLSA-N 327.432 1.771 0 40 EDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)s1 260801485 ZMOJCXDXULTEBR-LPEHRKFASA-N 344.462 1.600 0 40 EDAB Cc1nc2ccc(O)cc2cc1C(=O)NC[C@H](C)N1CCOCC1 1616042146 MDGDITAZFXPYSO-LBPRGKRZSA-N 329.400 1.699 0 40 EDAB COc1cccc([C@@H](CNC(=O)C(=O)NCc2ccccc2)OC)c1 96390434 UGTWUUCIXFITFI-QGZVFWFLSA-N 342.395 1.815 0 40 EDAB CS(=O)(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1cncs1 585182038 QWHZQNUGEPRJEO-LLVKDONJSA-N 326.447 1.997 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)CCc2ccc3c(c2)C[C@H](C)O3)[C@@H]1O 585285033 LLLRUYMDSIHTLN-IQRRUJBNSA-N 349.427 1.081 0 40 EDAB CNC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)C(C)C)ccnc12 585182464 ZHRXTNNBHZYQMR-ZDUSSCGKSA-N 329.404 1.799 0 40 EDAB CN1C(=O)CO[C@H]2CN(C[C@]3(O)CC[C@@H](c4ccccc4)CC3)C[C@@H]21 585284682 VCIDKPLZIDTLEZ-CGBFIWBNSA-N 344.455 1.617 0 40 EDAB Cc1ccc(CC(=O)N2C[C@H](C(=O)NC3CC3)[C@H]3OCC[C@H]32)cc1 585109570 XGZWFGSVBRWKHP-LZLYRXPVSA-N 328.412 1.432 0 40 EDAB Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)NC[C@H]1COCO1 585141062 OZZQFVSAPPFQMB-LBPRGKRZSA-N 338.314 1.860 0 40 EDAB CC(C)(CO)n1c(N)nc2cc(I)ccc21 675081838 OZEIALZXJKBQJK-UHFFFAOYSA-N 331.157 1.951 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)N(Cc1ccccc1)C1CC1 69484848 FWQHWZYKFOTDSL-GOSISDBHSA-N 339.443 1.934 0 40 EDAB CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCCN(C2CC2)CC1 69658536 RUDXKJDCWFWHGB-CQSZACIVSA-N 339.505 1.631 0 40 EDAB CC(C)CN(CC(F)(F)F)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 69737802 SAMJOLXOPKKLPX-GFCCVEGCSA-N 348.369 1.949 0 40 EDAB O=C(NCc1ccc(-n2ccnc2)nc1)c1c[nH]nc1-c1cccnc1 69811609 IZCLGUOSEIKBGC-UHFFFAOYSA-N 345.366 1.982 0 40 EDAB O=C(NCC1CC1)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F 30616998 BGYZVFHRORCMDF-UHFFFAOYSA-N 327.266 1.527 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3cnns3)CC2)cc1OC 54128331 URBJNDVCJGDSAI-UHFFFAOYSA-N 348.428 1.513 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 56489572 OICSCGMXNQYBMF-BDJLRTHQSA-N 347.415 1.733 0 40 EDAB CO[C@@H]1CCN(C2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)C1 1565522813 RPNHSPZZKFAFCC-GOSISDBHSA-N 345.443 1.970 0 40 EDAB CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NC[C@H]1CCCO1)CS2 85473845 SXVXBWBBJDFGSJ-VXGBXAGGSA-N 337.445 1.131 0 40 EDAB CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 5878518 CNYVOFXIELPXQF-UHFFFAOYSA-N 341.270 1.037 0 40 EDAB CCOC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)c(=O)[nH]2)C1 11905835 SVUHQKRADUVOLL-ZDUSSCGKSA-N 328.372 1.611 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)c1cnn(C)c1C 12154918 VKAYMRPUNMWIIR-SWLSCSKDSA-N 336.399 1.982 0 40 EDAB COC(=O)Cn1/c(=N/C(=O)CSC(C)=O)sc2ccccc21 13144804 YKYWCSWLMRKCSY-PFONDFGASA-N 338.410 1.583 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2cccs2)o1 16847893 BLOVAZCBBDYQFU-MRVPVSSYSA-N 342.402 1.161 0 40 EDAB COc1cc2c(cc1CN1CC[C@@H](c3cc(=O)[nH]c(C)n3)C1)OCO2 19285215 DRZKTGXYNUYTAM-GFCCVEGCSA-N 343.383 1.805 0 40 EDAB CCC(=O)NCCn1nc([C@H]2CCN(C(C)=O)C2)c2cccnc21 19499296 OLMLRHFJBKPGLQ-ZDUSSCGKSA-N 329.404 1.293 0 40 EDAB CN1CCC[C@H](c2nnc3n2CCN(C(=O)C2CCCC2)CC3)C1 19709350 YYXMEHFKDKSREE-HNNXBMFYSA-N 331.464 1.662 0 40 EDAB CCOC(=O)CSc1nnc(/C=C/c2cccs2)c(=O)n1N 4285681 OFTOOMICWPYSRV-AATRIKPKSA-N 338.414 1.239 0 40 EDAB CN([C@H]1CCCN(c2ncnc3cnccc23)C1)S(=O)(=O)C1CC1 1888856927 ZHVDVPZSHAXVKA-LBPRGKRZSA-N 347.444 1.418 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccccc1C(C)C 25021129 FNBNKYREZINZRQ-CQSZACIVSA-N 348.399 1.079 0 40 EDAB Cc1nnsc1C(=O)NCCn1c(C)nc2sccc2c1=O 245060730 PYOXUBBWAUNODP-UHFFFAOYSA-N 335.414 1.356 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)c1ccc(OC2CCOCC2)nc1 253406663 UVDXIWUGSFNABJ-OAHLLOKOSA-N 333.432 1.854 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(C(=O)CCF)C[C@H]2O1 1614934382 JYBODLMNFOQGJP-AEGPPILISA-N 335.379 1.063 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)c3ccnc(C(F)(F)F)c3)C[C@@H]2C1 1614938642 OUEYOPIFPUROCJ-NWDGAFQWSA-N 329.322 1.503 0 40 EDAB c1cnn(CCN2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)n1 2086968338 VITZDSPUBHXHHT-UHFFFAOYSA-N 339.447 1.256 0 40 EDAB COc1ccc(CNC(=O)N2CC(Cn3cncn3)C2)cc1OC 1565519906 SLARJZQKBZFNAS-UHFFFAOYSA-N 331.376 1.137 0 40 EDAB Cc1cc([C@H](O)CNC(=O)C(=O)Nc2ccc(F)cc2F)c(C)o1 1565520059 BXPRERQNCPKXMS-CQSZACIVSA-N 338.310 1.963 0 40 EDAB Cc1cc(C)n2nc(S(=O)(=O)NCCOc3ccccc3)nc2n1 4558126 BKLFZJWYAJRZHC-UHFFFAOYSA-N 347.400 1.098 0 40 EDAB Cc1ccc(NC(=O)c2ccc(=O)n(CC(=O)N3CCCC3)n2)cc1 21114477 UBQLDZRJYSHPHC-UHFFFAOYSA-N 340.383 1.426 0 40 EDAB CC(C)c1ccccc1OCCOC[C@@H](O)CN1CCN(C)CC1 22466264 JWIZLHCXFLPNAY-KRWDZBQOSA-N 336.476 1.814 0 40 EDAB CSc1ccccc1C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 42383478 YVNZOQIJQLZJSZ-UHFFFAOYSA-N 340.470 1.659 0 40 EDAB CC(C)[C@@H](Cn1cncn1)NC(=O)c1ccc(N2CCOCC2)cc1 575615140 BZRCLEJKHNCLGN-QGZVFWFLSA-N 343.431 1.569 0 40 EDAB CN1c2cc(F)c(NC(=O)C3CCOCC3)cc2N(C)S1(=O)=O 575612123 KVBQDYSKRVPDDM-UHFFFAOYSA-N 343.380 1.322 0 40 EDAB CCOC(=O)Nc1nc(CC(=O)Nc2ccccc2C(N)=O)cs1 12881696 YMVJCDVPNAGRHK-UHFFFAOYSA-N 348.384 1.992 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)Cc2cccc(Br)c2)CCO1 50040150 AHYJQTYNTXOSKE-NSHDSACASA-N 328.162 1.304 0 40 EDAB CC[C@]1(c2ccccc2)C(=O)N(CN2CCOCC2)C(=O)N=C1O 20065218 FOEQHWOACOYFPK-QGZVFWFLSA-N 331.372 1.543 0 40 EDAB O=C1CN(C(=O)COc2cccc(Oc3ccccn3)c2)CCN1 30576805 DHXQMEMGHBLWCR-UHFFFAOYSA-N 327.340 1.211 0 40 EDAB COc1ccc(NC(=O)C(=O)NCC2(N(C)C)CCCCC2)cn1 40288395 WUOTXMYUKQKHGL-UHFFFAOYSA-N 334.420 1.409 0 40 EDAB COc1ccc([C@@H]2SCC(O)=Nc3n[nH]cc32)cc1OCC(N)=O 40283770 CMFDLCHALFHUOX-AWEZNQCLSA-N 348.384 1.707 0 40 EDAB CCNc1ncc(C(=O)NC2CCS(=O)(=O)CC2)cc1Cl 50756372 WSGURNPIKBYQPT-UHFFFAOYSA-N 331.825 1.474 0 40 EDAB Cc1cc(C(=O)CN2CCN(CC(=O)N(C)C)CC2)c(C)n1C1CC1 40466302 FROMXPHXHDVIKT-UHFFFAOYSA-N 346.475 1.328 0 40 EDAB CS(=O)(=O)NCCNCc1c[nH]nc1-c1cc2ccccc2o1 51188288 JEIKXIDMYMASDR-UHFFFAOYSA-N 334.401 1.462 0 40 EDAB C[C@@H]1COCCN1Cc1nc(CC(=O)NCc2ccccc2)no1 40513793 YQVSFRNYKQPBBW-CYBMUJFWSA-N 330.388 1.149 0 40 EDAB CCn1cnnc1CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 40535072 KOWDTTIWLYXBSV-OAHLLOKOSA-N 330.388 1.786 0 40 EDAB Cc1ccc([C@H](CNS(=O)(=O)N(C)C(C)C)N2CCOCC2)o1 40528075 VLHPOJPPQNBNMP-AWEZNQCLSA-N 345.465 1.136 0 40 EDAB COC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1cccc(OC)c1 20529192 ZLIHHZWPVAZKAV-INIZCTEOSA-N 345.399 1.572 0 40 EDAB Cc1cc(C)c2c(=O)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)oc2c1 20867821 UQFKFSPDXDPQHT-NSHDSACASA-N 335.381 1.327 0 40 EDAB Cc1ccc(-n2nnc(C(=O)NCC3CCN(C)CC3)c2C)cc1 101522526 NIVADDDZJLKEDR-UHFFFAOYSA-N 327.432 1.956 0 40 EDAB COc1cccc(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 32816013 QIFQHLXZJVZYFG-NSHDSACASA-N 330.306 1.722 0 40 EDAB O=C(CCNS(=O)(=O)c1cccnc1)NC1CCCCCC1 32826306 WXVJVMBOXKPFBJ-UHFFFAOYSA-N 325.434 1.589 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CN1CCC(O)CC1)c1ccccc1 32878956 FWGLRHDUFHPUIY-QGZVFWFLSA-N 328.416 1.082 0 40 EDAB O=C(N[C@H]1CCCOc2ccc(F)cc21)[C@H]1CCS(=O)(=O)C1 53366784 PCRJNJDAHFXVON-GWCFXTLKSA-N 327.377 1.590 0 40 EDAB CN1N=C(C(=O)N2CCN(C)c3nc4ccccc4nc32)CCC1=O 22503330 FMNBPVORSSBMJT-UHFFFAOYSA-N 338.371 1.021 0 40 EDAB CCN(CCCNS(=O)(=O)CCOCCOC)c1ccccc1 84774733 MUZPVMYUBBKFJY-UHFFFAOYSA-N 344.477 1.485 0 40 EDAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3594694 BWGUHLRUDOQZAP-KZULUSFZSA-N 329.400 1.685 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)N[C@@](C)(c2ccccn2)C1=O 106653524 FTRQURPFDFHHNY-VFVRVIDISA-N 344.415 1.638 0 40 EDAB CN(C)c1ccc(CCCNC(=O)[C@H]2CCCN(C(N)=O)C2)cc1 25140669 XFBYWQWMEMJPJT-HNNXBMFYSA-N 332.448 1.592 0 40 EDAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)cc1 106844766 JGLHBDOEXPPBKB-DAYGRLMNSA-N 333.476 1.735 0 40 EDAB CCCN(Cc1cc(=O)n(C)c(=O)n1C)[C@@H]1C[C@@H](OCC)C1(C)C 106931428 DGWQTOIJBXGBCF-HUUCEWRRSA-N 337.464 1.500 0 40 EDAB CC(=O)NCCNC(=O)COC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 84753097 HJDKFHPAVQCSNZ-MNOVXSKESA-N 338.326 1.151 0 40 EDAB O=C(C[C@H](NCCCO)C(=O)O)Nc1cc(Cl)ccc1Cl 6480329 YVWHCGLBESXCNU-NSHDSACASA-N 335.187 1.747 0 40 EDAB CCOc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1Br 6963898 KBYFVCMVPBCDPS-UITAMQMPSA-N 338.161 1.950 0 40 EDAB C[C@H](NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1cccnc1 43785294 TXFOURFIAZZJIX-USXIJHARSA-N 348.447 1.179 0 40 EDAB COc1ccc(OC)c([C@H](C)NC(=O)NCCNc2cnccn2)c1 43878341 LBUGQDQTJVOYEH-LBPRGKRZSA-N 345.403 1.966 0 40 EDAB O=C(NC[C@@H]1CCN(C2CC2)C1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 107509544 XDXALHXOBHGTQX-DWRORGKVSA-N 346.519 1.987 0 40 EDAB CCN1C[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1=O 57361616 DGYKQPZIVPNLEL-AWEZNQCLSA-N 348.418 1.859 0 40 EDAB CCN1CCC(NC(=O)CN2CCN(c3ccccc3)CC2)CC1 57331735 SIKSWYKVRVNNCG-UHFFFAOYSA-N 330.476 1.409 0 40 EDAB CN(Cc1ccco1)C(=O)COC(=O)CNC(=O)C1CCCCC1 35434360 LQWKSQSTNHOWPX-UHFFFAOYSA-N 336.388 1.478 0 40 EDAB O=c1ccc(-c2ccc(F)cc2)nn1CC1(O)C[C@@H]2CC[C@@H](C1)N2 100736821 WIRNUJYYBDHMFA-GJZGRUSLSA-N 329.375 1.695 0 40 EDAB O=C(NCCc1nnc(S)n1C1CC1)C1C[C@@H]2CCC[C@H](C1)C2=O 109058987 NUMYTUFRPJQYQC-FOSCPWQOSA-N 348.472 1.956 0 40 EDAB Cc1ccc([C@@H](CNC(=O)[C@@H](C)n2cccn2)N2CCOCC2)o1 44686047 GLXICMDDCZQYIM-HUUCEWRRSA-N 332.404 1.535 0 40 EDAB CC(C)S(=O)(=O)[C@H](C)C(=O)NCC1(N(C)C)CCCCCC1 58043667 KPUOCRQRCZSXID-CQSZACIVSA-N 332.510 1.969 0 40 EDAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1c[nH]c3ncccc13)CC2 95410612 UXBGBUSZPFXWJW-HOTGVXAUSA-N 343.427 1.884 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 2038357 QHDDRKIOSRWZGG-UHFFFAOYSA-N 344.348 1.693 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)N1CCCN(C2CC2)CC1 58173890 MKFXSJLQANWHJD-UHFFFAOYSA-N 329.400 1.109 0 40 EDAB COc1ccc([C@H](CNC(=O)NC2CC2)N2CCN(C)CC2)cc1 36075806 XULAOYXOVQJOSY-KRWDZBQOSA-N 332.448 1.445 0 40 EDAB O=S(=O)(N[C@@H](c1ccccc1)c1ccccn1)N1CCOCC1 44896188 OXKXTWAZVHLIHK-INIZCTEOSA-N 333.413 1.338 0 40 EDAB C[C@H]1CN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)C[C@@H](C)O1 58222889 HTGQAVIXNDITFI-BETUJISGSA-N 329.400 1.924 0 40 EDAB COc1cc(CNC(=O)COc2ccc(C(N)=O)cc2)ccc1O 58265852 QTMYQNNLBCDJJZ-UHFFFAOYSA-N 330.340 1.195 0 40 EDAB O=C1CCOc2ccccc2N1CC(=O)N(C[C@@H]1CCOC1)C1CC1 44941343 IQZLHNBWYXUKMG-AWEZNQCLSA-N 344.411 1.830 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1Cl 44935968 DRVMLMGLYRBLNH-JTQLQIEISA-N 329.809 1.912 0 40 EDAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1[nH]ncc1Br 102737200 GQHNVUSDBORATL-YIKMNZTOSA-N 342.193 1.490 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)CNC(=O)c1ccc2c(c1)OCO2 58344076 FRNQOHJLTBUYDB-GFCCVEGCSA-N 334.372 1.030 0 40 EDAB CCCS(=O)(=O)NCCNC(=O)c1cccc(Br)c1 58326005 QLLMBUCWRMMZID-UHFFFAOYSA-N 349.250 1.508 0 40 EDAB Cn1cc(/C=C/C(=O)N2CCC[C@@H]3CCCC[C@H]32)c(=O)n(C)c1=O 58403956 UPTZEALPQRNNBI-BPKFXHHPSA-N 331.416 1.278 0 40 EDAB COc1ccc(F)cc1COC(=O)C1CCN(S(C)(=O)=O)CC1 9984786 APZSRVZDENSVNZ-UHFFFAOYSA-N 345.392 1.549 0 40 EDAB COC(=O)c1cccc(C(=O)NC(=S)NCc2cccnc2)c1 12138873 RLZMOOZDZXUGLA-UHFFFAOYSA-N 329.381 1.673 0 40 EDAB CCn1cc(CNC(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1 2788274 AREGHOQKCGYODS-UHFFFAOYSA-N 325.376 1.181 0 40 EDAB CCOC(=O)c1csc(NC(=O)[C@@H]2CCCN(C(=O)CC)C2)n1 47196963 QEORKDIIGWFSBQ-SNVBAGLBSA-N 339.417 1.907 0 40 EDAB O=C(NCCCCCO)C(=O)Nc1ccc(Br)cc1 170316452 ASXDPFQWMQFTMK-UHFFFAOYSA-N 329.194 1.666 0 40 EDAB CN1CCN(CCCNC(=O)c2cc(F)c(F)cc2Cl)CC1 61523869 GYKJBLDDMGNSMP-UHFFFAOYSA-N 331.794 1.986 0 40 EDAB CC(C)c1nnc(NC(=O)Cn2c(=O)n(C)c3ccccc32)s1 48289422 ZWZZXYDYTAHKNT-UHFFFAOYSA-N 331.401 1.954 0 40 EDAB Cc1nc(N2CCOC[C@@H]2C(N)=O)c2c3c(sc2n1)CCCC3 95467543 HKGLZRZGYLXPSL-LLVKDONJSA-N 332.429 1.569 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccc(F)cc1)C2=O 3362629 XRTCMEBYTNOZAX-SGTLLEGYSA-N 347.390 1.943 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)C(=O)c3ccccc32)c(OC)c1 3640278 JXUOLVPYPQKQCI-UHFFFAOYSA-N 340.335 1.872 0 40 EDAB Cc1nc(NC(=O)CCC(=O)N2CCOc3ccccc32)n(C)n1 96014029 ANWPNBWDUZLRCC-UHFFFAOYSA-N 329.360 1.268 0 40 EDAB O=C(NC1CCCCC1)N1CCN(c2ccc3nncn3n2)CC1 13700315 RWEHHTOXSZVZBK-UHFFFAOYSA-N 329.408 1.289 0 40 EDAB COC(=O)c1sccc1NC(=O)C(=O)NCCc1ccc(O)cc1 13732936 ZWPBKUWLWMYWHF-UHFFFAOYSA-N 348.380 1.538 0 40 EDAB CN(C(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)C1CCCC1 20112500 UADWNRJFPZNDIN-HNNXBMFYSA-N 338.429 1.615 0 40 EDAB CCNc1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1C 4371134 TZJXGSPFHHYSFW-UHFFFAOYSA-N 327.388 1.222 0 40 EDAB CCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1OC 4368743 LTTKQMFGTVLQCU-AWEZNQCLSA-N 329.360 1.924 0 40 EDAB O=C(COC(=O)c1ccccc1NCCO)NCCc1ccccc1 5279319 PUQIWSXWVDZOMO-UHFFFAOYSA-N 342.395 1.607 0 40 EDAB CC1(C)CN(C(=O)Nc2cnn(-c3ccccn3)c2)CC[S@@]1=O 97228210 XALLUEKCKFNTDP-HSZRJFAPSA-N 333.417 1.642 0 40 EDAB C[C@@H]1CN(C(=O)CSCc2nnnn2-c2ccccc2)CCO1 65553675 WHFIDJVVLUOSMI-GFCCVEGCSA-N 333.417 1.143 0 40 EDAB COc1ccc(NCC(=O)N2CCCC[C@H]2C)cc1-n1nnnc1C 65606784 ZZJRNBBJRWBCKV-GFCCVEGCSA-N 344.419 1.792 0 40 EDAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2ccco2)CN3)cc1 5429331 OGGWUPUZLNCKRS-UHFFFAOYSA-N 338.367 1.812 0 40 EDAB CCS(=O)(=O)N(CC(=O)NCC(C)C)c1ccc(OC)cc1 5718932 BVTCMTWYZPQVFK-UHFFFAOYSA-N 328.434 1.624 0 40 EDAB NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 4976817 OLTJEIKXAJOGLH-GFCCVEGCSA-N 349.818 1.417 0 40 EDAB COc1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cn1 7136516 IJQLCKFNLIGIIA-UHFFFAOYSA-N 346.387 1.674 0 40 EDAB Cc1nnc(S[C@@H](C)C(=O)NC(N)=O)n1CCc1cccs1 67757680 KWOUPNSKDWNSQE-QMMMGPOBSA-N 339.446 1.566 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N(CC3CC3)C3CCCCC3)cnc21 68013663 LVQSFICBWDBQCX-UHFFFAOYSA-N 343.431 1.701 0 40 EDAB O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@H](n2cncn2)C1 68429980 OVWBHEBQEQXETE-ZDUSSCGKSA-N 327.388 1.323 0 40 EDAB CS(=O)(=O)N1CCC[C@H](NC(=O)C/C=C/c2cccc(F)c2)C1 96454225 ZUJHGYVXOMWOQS-VFQAQYNWSA-N 340.420 1.769 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)OC 7767526 GMPCPDALRZKDOL-DIFFPNOSSA-N 347.367 1.876 0 40 EDAB Cn1c(CS(=O)(=O)c2ccc3c(c2)OCCCO3)nnc1C1CC1 90988890 LIDASVXXWVYRIL-UHFFFAOYSA-N 349.412 1.828 0 40 EDAB COc1ccccc1N1CCN(C(=O)CSc2nccn2C)CC1 8068155 UDQIHTWYEUXQEY-UHFFFAOYSA-N 346.456 1.870 0 40 EDAB COC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O 9512132 PXXSLQLAXIHQML-ZDUSSCGKSA-N 341.161 1.389 0 40 EDAB Cc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)NC1CCCCCC1 8172580 JCAWNDSZNGFFMF-LBPRGKRZSA-N 340.445 1.989 0 40 EDAB COCCN1CCN(CC(=O)N2CCc3ccccc3C2)C[C@H]1C 70015613 LDJSBWDGQLXZJE-MRXNPFEDSA-N 331.460 1.224 0 40 EDAB CCN(CC)C(=O)CCNC(=O)c1ccccc1N1CCOCC1 69350608 IBDDRLPJKWWDPJ-UHFFFAOYSA-N 333.432 1.512 0 40 EDAB C[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccccc1 69342986 XBSISYFNGMQLDL-CHWSQXEVSA-N 327.402 1.466 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H](C(N)=O)c1ccccc1)C2 71846774 AJVSEJFKHLIHQC-WMLDXEAASA-N 340.379 1.589 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(CCC(=O)Nc2ccccc2F)C1 69416508 YREYKQIMPPERGD-LBPRGKRZSA-N 343.424 1.168 0 40 EDAB CCCn1nc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)ccc1=O 69437893 OLHXDCVJDSOEKC-CQSZACIVSA-N 329.404 1.636 0 40 EDAB Cc1cc(-c2nnn(C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)n2)ccc1F 71841218 YMDDCUAOYPMHDR-UMVBOHGHSA-N 349.410 1.258 0 40 EDAB Cc1ccc(C)c(OC2CCN(CC(=O)N3CCNC3=O)CC2)c1 71824864 KWBUFWTXPPVXOC-UHFFFAOYSA-N 331.416 1.698 0 40 EDAB Cc1ccc(CC(=O)N2CCN(CCN3CCOC3=O)CC2)cc1 69528411 GXQYOAQWEUMSIV-UHFFFAOYSA-N 331.416 1.134 0 40 EDAB CCN(CC)[C@H](C(=O)N1CCN(C(=O)COC)CC1)c1ccccc1 69570430 KBTVFPWDMZRNRF-SFHVURJKSA-N 347.459 1.387 0 40 EDAB C[C@H](Cn1cccn1)NC[C@H](O)CN1CCN(c2ccccc2)CC1 69697366 HBOFGRKUYUQYPP-MJGOQNOKSA-N 343.475 1.044 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(C[C@H](C)O)CC2)c1 69697223 RSSBAWXOLQQWJF-INIZCTEOSA-N 340.489 1.076 0 40 EDAB CN(C1CCN(CCC(=O)Nc2ccccc2)CC1)S(C)(=O)=O 69739334 YIGGNYHRLTVKJY-UHFFFAOYSA-N 339.461 1.371 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)CCc2nccs2)CC1 69928296 WUXUXONQMACLRH-CYBMUJFWSA-N 325.478 1.627 0 40 EDAB COCCN1C[C@@H](C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)CC1=O 83902841 YOKCSEUKDXEJPS-QWHCGFSZSA-N 348.403 1.105 0 40 EDAB CC(C)Cn1nc(C(=O)N(C)CCCC(=O)O)c2ccccc2c1=O 95377549 YABGCIDPLBQTDE-UHFFFAOYSA-N 345.399 1.989 0 40 EDAB CC(C)CNC(=O)CNC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 95447219 COBLQQHJGMIPIB-NSHDSACASA-N 338.374 1.037 0 40 EDAB CN(Cc1cnc(N(C)C)nc1)C(=O)CCn1cnc2ccccc21 97079847 ZSBYBKFTZAWYMY-UHFFFAOYSA-N 338.415 1.941 0 40 EDAB CCCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 20483229 GHZWQXUFOMNIIL-UHFFFAOYSA-N 331.413 1.355 0 40 EDAB CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)c1ccc(C(F)(F)F)cc1 95433140 IHFVIMIXVPNJRW-VXGBXAGGSA-N 340.367 1.913 0 40 EDAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CCc2nccn2C1 97197691 CZQSLIYWQSIRFF-GFCCVEGCSA-N 347.802 1.981 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)[C@@H]1CCCN(c3ccccn3)C1)CC2 97198941 AKHTXESBCPHTKL-HUUCEWRRSA-N 340.431 1.329 0 40 EDAB C[C@@H]1CN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)C[C@@H](C)O1 4276370 PNFGTQKWBFGTMM-BRXULGCHSA-N 329.462 1.821 0 40 EDAB Cc1cccnc1NC(=O)c1ccc(CCNS(C)(=O)=O)s1 9909131 BLQQJNDWFSUKQL-UHFFFAOYSA-N 339.442 1.796 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)O)c1 548208203 RUSISAXBINRFIG-AWEZNQCLSA-N 348.424 1.920 0 40 EDAB Cc1nc2n(c(=O)c1C)CN(CCCO)CN2c1ccc(F)cc1 36125647 SIDVOZALURMSRA-UHFFFAOYSA-N 332.379 1.750 0 40 EDAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)c1 530143761 QUNKYQOODKXBNO-BJHJDKERSA-N 340.401 1.437 0 40 EDAB O=S(=O)(CCNc1ccc(Br)cn1)NCC1CCC1 189622433 WQSZPFWCRQPLHC-UHFFFAOYSA-N 348.266 1.976 0 40 EDAB COC[C@](C)(O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 70655692 LTOGUKNODJEEBZ-KBXCAEBGSA-N 334.416 1.170 0 40 EDAB CC(C)c1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)[nH]n1 189678255 DHRPIZYGWQYZEC-UONOGXRCSA-N 346.431 1.913 0 40 EDAB Cc1ccc(NCCNS(=O)(=O)c2cc(F)ccc2F)nn1 36705724 SVDHDQJBMUJDHX-UHFFFAOYSA-N 328.344 1.454 0 40 EDAB O=S(=O)(NC[C@@H](N1CCOCC1)C(F)(F)F)C1CCCCC1 329058023 ISYXGHLPLXSBEI-GFCCVEGCSA-N 344.399 1.502 0 40 EDAB COC(=O)c1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)n1 75163562 CVCHDTZKCHNORI-UHFFFAOYSA-N 341.302 1.840 0 40 EDAB CNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCC2)n1 225878330 WHAJRIKFFFTZTI-UHFFFAOYSA-N 347.473 1.934 0 40 EDAB C[C@H](NS(=O)(=O)C[C@H]1CCOC1)[C@@H](c1ccccc1)N(C)C 225459443 XBEFSGCEDHDQSO-DZKIICNBSA-N 326.462 1.634 0 40 EDAB O=C1[C@@H](Nc2ccc(-n3cncn3)cc2)CCN1CC(F)(F)F 81152161 MGZCQMZGLVGRER-LBPRGKRZSA-N 325.294 1.842 0 40 EDAB Cc1nc(N2CCN(C(=O)c3cccnc3)CC2)cc(-n2cccc2)n1 85472192 QWDSUEPSPCQHNU-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2c(c1)COC2=O 85876004 MJQZNFIYWCUEAS-UHFFFAOYSA-N 335.319 1.706 0 40 EDAB biogenic O=C(N[C@@H]1CCS(=O)(=O)C1)c1c[nH]c2ccc(Cl)cc2c1=O 44894026 CIKZGMAVNJQVGD-SECBINFHSA-N 340.788 1.098 0 40 EDAB C[C@H](NCCC(=O)N1CCN(C)CC1)[C@H]1CCCN(C2CCC2)C1 330032851 SINMNEQHHJZXAA-IRXDYDNUSA-N 336.524 1.393 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)CO[C@H]3CCCC[C@@H]3C)CCO2)n1 83829901 ALIORXKOZJRDTI-IHRRRGAJSA-N 336.436 1.862 0 40 EDAB COC[C@@H]1CN(C(=O)COc2ccccc2C)Cc2ncn(C)c21 96044808 JNERVBWJDORNNA-AWEZNQCLSA-N 329.400 1.880 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)NC[C@](C)(O)c3ccco3)cc12 96434043 MGKJOWPPIARPQQ-INIZCTEOSA-N 329.360 1.899 0 40 EDAB Cc1noc(C)c1CN1C[C@@]2(CCN(Cc3cnn(C)c3)C2)CC1=O 96239397 XLUJTOPGXDYYQU-SFHVURJKSA-N 343.431 1.650 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCN(C(N)=O)C1)c1ccc(Br)cc1 95980901 YYPZMIFOYZJUIZ-JOYOIKCWSA-N 340.221 1.822 0 40 EDAB COC(=O)C[C@@H](c1cccnc1)c1c(O)nc2ccccn2c1=O 96115835 UYLODJJNJVDRKS-LBPRGKRZSA-N 325.324 1.490 0 40 EDAB biogenic CN(Cc1cncnc1)[C@@H]1CN(C(=O)c2ccco2)[C@@H]2CCCO[C@H]12 96186019 DQVAJZLDRYKZKR-INMHGKMJSA-N 342.399 1.574 0 40 EDAB COCCCNC(=O)[C@@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 96286663 ZDILUDXOCRQYNR-RFUYNDQBSA-N 343.427 1.471 0 40 EDAB biogenic CN1[C@H](COCC2CC2)CCC12CCN(S(=O)(=O)C1CC1)CC2 96208666 JYPBYLSGIRMASO-HNNXBMFYSA-N 342.505 1.834 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 96040267 XZJVEDMSJMAFCA-JKSUJKDBSA-N 340.445 1.429 0 40 EDAB O=C([C@@H]1CN(c2cccc(F)c2)CC12CCOCC2)N1CCOCC1 96160175 JDGVUVAPELSHTM-KRWDZBQOSA-N 348.418 1.918 0 40 EDAB CO[C@H]1CCN(Cc2ccc3c(c2)OCO3)[C@H]1Cc1cnn(C)c1 96200596 XXFPWOACTYTGBJ-HOTGVXAUSA-N 329.400 1.981 0 40 EDAB O=C(c1cccs1)N1CCOC2(CCN([C@H]3CCOC3)CC2)C1 96158935 WSUFVYYSNWUAEA-AWEZNQCLSA-N 336.457 1.844 0 40 EDAB O=c1cc(Cn2ccnc2)nc2n1CCCN(Cc1nccs1)C2 96197574 XAHHEQOHKRDRGN-UHFFFAOYSA-N 342.428 1.351 0 40 EDAB COc1ncccc1CN1CC[C@H]2OCC[C@@]2(C(=O)NC2CC2)C1 96038785 CPHPCVGOOCLYDD-CRAIPNDOSA-N 331.416 1.350 0 40 EDAB CN1CCN([C@@H]2CN(C(=O)Cc3ccsc3)[C@@H]3CCCO[C@H]23)CC1 96038662 YKVFMOYKTXUBFR-NUJGCVRESA-N 349.500 1.296 0 40 EDAB CC(C)[C@H](C)NC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2 96266082 FECVMIHNNMYQNG-NSHDSACASA-N 348.428 1.439 0 40 EDAB CCOC[C@@H]1C[C@]2(COCCN2S(=O)(=O)c2ccccc2)CO1 96240735 OOYXZXBMHKIFJH-HOCLYGCPSA-N 341.429 1.272 0 40 EDAB CN1CCC[C@@H](CNS(=O)(=O)c2ccccc2)[C@@H]1c1cncn1C 583616884 RYIXVRNWQMIHGC-WMLDXEAASA-N 348.472 1.782 0 40 EDAB CN1C(=O)CC[C@@H](NC(=O)Cc2ccccc2F)[C@@H]1c1cncn1C 583619217 XKPXBDWBKSPEDX-RDTXWAMCSA-N 344.390 1.580 0 40 EDAB CC(C)n1ccc2c(C(=O)N3CCN(S(C)(=O)=O)CC3)cccc21 95473660 ANXNLLUKCPZJBS-UHFFFAOYSA-N 349.456 1.940 0 40 EDAB CC(=O)Nc1ccc(F)c(C(=O)N2CCN(c3nccn3C)CC2)c1 96436902 RFNYZSDIBOHOIQ-UHFFFAOYSA-N 345.378 1.480 0 40 EDAB C[C@H](NCCN1CCN(C(=O)C2CCCC2)CC1)c1cnn(C)c1 96477538 NUVVOWRIANXQKI-HNNXBMFYSA-N 333.480 1.405 0 40 EDAB CO[C@](C)(C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)c1ccccc1F 585086027 VUUGFDZOOVBKNL-LBTNJELSSA-N 336.407 1.355 0 40 EDAB CSc1nc(C)c(S(=O)(=O)NC(=O)c2ccnc(C)c2)s1 585136146 STEGJXZPGCDDPB-UHFFFAOYSA-N 343.455 1.996 0 40 EDAB Cc1cc(C[C@@H]2COCCN(C(=O)CCn3ccnc3)C2)ncn1 257251479 JQYIOWORWWPRSW-HNNXBMFYSA-N 329.404 1.089 0 40 EDAB Cn1ccnc1C(=O)N1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 257290967 QFAXVQWCAIGBDZ-YOEHRIQHSA-N 333.363 1.604 0 40 EDAB Cc1cc(-c2cc(C)nc([C@H]3CCCCN3S(C)(=O)=O)n2)[nH]n1 257251666 JRQGHEADBZGGGE-CQSZACIVSA-N 335.433 1.970 0 40 EDAB Cc1cc(O)nc([C@H]2CN(C(=O)Cc3sc(C)nc3C)CCO2)n1 257256680 KMLSTHGKYAFKKV-GFCCVEGCSA-N 348.428 1.707 0 40 EDAB CC(=O)NCC(=O)N1CCC(O)(COc2ccc(C)c(C)c2)CC1 257326224 WWJNBYNKQGKRFV-UHFFFAOYSA-N 334.416 1.172 0 40 EDAB O=C(Cc1cccc(O)c1)N1CCC[C@@](O)(CN2CCCC2)CC1 257262749 LMROTAFDMQTIPH-IBGZPJMESA-N 332.444 1.774 0 40 EDAB O=C(Cc1ccc2c(c1)CCC2)N1CC[C@](O)(CN2CCOCC2)C1 257251385 JQNKFZPLGAYYQX-FQEVSTJZSA-N 344.455 1.013 0 40 EDAB Cc1cnccc1C(=O)N1CCc2c(O)nc([C@@H]3CCCN3)nc2C1 257314601 UXRDCFMYEOVXLM-AWEZNQCLSA-N 339.399 1.509 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)cn1 257297326 RGTXAJYBZUSBHX-HZPDHXFCSA-N 342.351 1.353 0 40 EDAB Cc1ocnc1C(=O)N1CC[C@@H]2[C@@H](CCCCN2S(C)(=O)=O)C1 257324325 WODWMLZUBOVAPY-QWHCGFSZSA-N 341.433 1.259 0 40 EDAB CC(=O)N1CCN(S(C)(=O)=O)[C@H](c2ccc(OC(C)C)cc2)C1 257238432 HKZDMOKVBFAANL-INIZCTEOSA-N 340.445 1.639 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3CC[C@@H](N(C)c4cccnn4)[C@H]3C2)no1 257249213 JHHNFMNYDQYAMI-VNHYZAJKSA-N 327.388 1.760 0 40 EDAB COCc1c(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)noc1C 257246832 IWAGKROWMRNSIG-UMVBOHGHSA-N 334.376 1.210 0 40 EDAB CCOC(=O)c1nc(CCNS(=O)(=O)C2(C)CC2)sc1C 1615586496 NRCJOWLMYNCLFM-UHFFFAOYSA-N 332.447 1.643 0 40 EDAB COC(=O)[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)Cc2ccccc21 599505521 RDIXRFRVXRTCFD-SWLSCSKDSA-N 338.429 1.345 0 40 EDAB CO[C@@H]1COC[C@H]1S(=O)(=O)N1CCC[C@H](c2ccncc2)CC1 1616001668 YZASAACZWSZDGN-NUEKZKHPSA-N 340.445 1.395 0 40 EDAB O=S1(=O)CC(CS(=O)(=O)N2CCC[C@H](c3ccccc3)C2)C1 1616039183 YGBKHWWYBWJANY-HNNXBMFYSA-N 343.470 1.240 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc2n(n1)CCO2 290768248 LXTHDMGHSYQTCD-GFCCVEGCSA-N 329.356 1.578 0 40 EDAB Cc1nn(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(=O)n1C 585090233 AVZLTNYGFIZVHQ-GFCCVEGCSA-N 328.416 1.646 0 40 EDAB OC1(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CCCC1 585288081 VMDRUNSOMLVCQF-SFHVURJKSA-N 339.407 1.573 0 40 EDAB Cn1cnc(S(=O)(=O)N2CCOC[C@H]2c2cccc(F)c2)c1 585091951 UAYMZRXRXMMDFV-ZDUSSCGKSA-N 325.365 1.321 0 40 EDAB CC[C@H](C)N1CCC[C@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 585100732 UXAXLPUBSLEUFS-HOCLYGCPSA-N 330.494 1.677 0 40 EDAB O=C(NC1(C(F)(F)F)CCOCC1)[C@@H]1CCCN(C(=O)C2CC2)C1 580807642 PXKRLEQYKUMDOE-GFCCVEGCSA-N 348.365 1.863 0 40 EDAB CSCC(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@H]1C 585098208 SABKCQHSINUKHF-LLVKDONJSA-N 336.461 1.361 0 40 EDAB Cc1cc(CNC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)on1 65564216 FZWYBLSSUUOWKA-AWEZNQCLSA-N 331.397 1.815 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCO)cc1 69813005 CNXLPYVDEMOEPZ-UHFFFAOYSA-N 334.397 1.518 0 40 EDAB COCCN1CCN(CC(=O)NC2(c3ccccc3)CCC2)CC1 69816201 JMTUFLPGHWOTRI-UHFFFAOYSA-N 331.460 1.446 0 40 EDAB CC(C)CCN1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 69946320 BPAOJGSAVQIZFH-UHFFFAOYSA-N 332.448 1.998 0 40 EDAB Cc1cccc(C2(C(=O)NCC3(C(N)=O)CCOCC3)CCC2)c1 57006863 GTNNRSGFDKRSRB-UHFFFAOYSA-N 330.428 1.815 0 40 EDAB O=C([C@H]1CCc2ccccc2O1)N1CCN(c2ccccn2)C(=O)C1 1565522500 JGSQJEWDQWZBAE-MRXNPFEDSA-N 337.379 1.651 0 40 EDAB COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cn1 75139285 DIZYRUXEWFVGAN-CQSZACIVSA-N 344.371 1.996 0 40 EDAB Cc1nc(CN(C)[C@@H]2CCN(Cc3nc4ccccc4n3C)C2)no1 76047276 LUJIMJRPIAUQON-CQSZACIVSA-N 340.431 1.971 0 40 EDAB CCn1nnc2cc(C(=O)N3CCO[C@H](c4nc(C)n[nH]4)C3)ccc21 76045010 WXERTKTVYKVRPQ-AWEZNQCLSA-N 341.375 1.091 0 40 EDAB C[C@H]1CN(C)CCN1CC(=O)Nc1ccc(Br)cn1 89939117 VJBPIJIMGMGSGY-JTQLQIEISA-N 327.226 1.419 0 40 EDAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1O 95450335 DQVZHORISLKLPM-JSGCOSHPSA-N 346.470 1.224 0 40 EDAB C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N(C)CCn1cnnc1 1616022235 FXJOZLYFMLFOGM-NSHDSACASA-N 339.346 1.839 0 40 EDAB CC(C)[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)NC(N)=O 5626644 BZENQXRRSCVCIQ-SNVBAGLBSA-N 348.186 1.952 0 40 EDAB COCCNC(=O)Cn1c(=O)n(Cc2cccs2)c2ncccc21 12222522 KKFKLMVGJRNEBS-UHFFFAOYSA-N 346.412 1.070 0 40 EDAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCCN1CCOCC1 12422173 KTZGJHNKFUKUBC-UHFFFAOYSA-N 349.818 1.986 0 40 EDAB COc1ccc(-c2nnc(Sc3ccc4nnnn4n3)o2)cc1 14094856 WKAMAEFVEXTRCT-UHFFFAOYSA-N 327.329 1.729 0 40 EDAB COC(=O)c1cccc(NC(=O)CN2C(=O)C(=O)c3ccccc32)c1 14137289 ZSTCJOILUCNZAK-UHFFFAOYSA-N 338.319 1.641 0 40 EDAB O=C(CCn1cccn1)N1CCC(c2ncc3c(n2)CCNC3)CC1 19406091 ONHNSOCOASGBRS-UHFFFAOYSA-N 340.431 1.115 0 40 EDAB Cc1nn(C)c(C)c1CN(C(=O)Cn1cc(C(C)C)nn1)C1CC1 19577790 XKNXLWOHDMFTFO-UHFFFAOYSA-N 330.436 1.943 0 40 EDAB CN1CCN(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CC1 19589993 ZYNCQPNPPODBDY-UHFFFAOYSA-N 330.432 1.109 0 40 EDAB O=C(CNCCN1CCCCC1)Nc1ccccc1N1CCOCC1 35311443 YTTAYEWBGWLIJU-UHFFFAOYSA-N 346.475 1.537 0 40 EDAB CN1C(=O)/C(=C2\SC(=N)NC2=O)c2cc(Br)ccc21 8204896 POHUZULNURSKHE-HJWRWDBZSA-N 338.186 1.934 0 40 EDAB COC(=O)CNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 5862148 QOJZOVMUPOTADW-UHFFFAOYSA-N 342.351 1.170 0 40 EDAB O=C1CN(C2CCN(c3ncc(Cl)cn3)CC2)C(=O)N1C1CC1 1888843605 GBNCREBHWWIFNR-UHFFFAOYSA-N 335.795 1.525 0 40 EDAB Cc1ccc(N2CC(N(C)C(=O)[C@@H]3CCc4ccccc4O3)C2)nn1 1888856800 PGXSBUZRPVVDJE-KRWDZBQOSA-N 338.411 1.826 0 40 EDAB COc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1 25666275 GHGRUOHOJDQYFB-UHFFFAOYSA-N 328.434 1.084 0 40 EDAB CN(CC(=O)NC(=O)NC1CC1)Cc1ccc(Br)o1 30215154 CPTCARRBJKWQBJ-UHFFFAOYSA-N 330.182 1.462 0 40 EDAB O=C1COC2(CCN(Cc3cnc[nH]3)CC2)CN1c1ccc(F)cc1 2037838626 RUFAUYQJGWLOON-UHFFFAOYSA-N 344.390 1.947 0 40 EDAB Cc1nc(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)cs1 1614927983 IVZLHFBTBPVOLU-GFCCVEGCSA-N 343.416 1.212 0 40 EDAB CC(C)CNC(=O)[C@H]1C[C@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]1O2 1565547735 NCCRUNKBSVQOJO-HEHGZKQESA-N 347.415 1.554 0 40 EDAB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3cccc(F)c3)cnc21 10250796 FGKUJXIIMQCUID-UHFFFAOYSA-N 329.335 1.871 0 40 EDAB COCCN1CCO[C@H]2CCN(C(=O)c3csc(C)n3)CC[C@@H]21 2055745830 GFNPHZSHNDDMMA-GJZGRUSLSA-N 339.461 1.403 0 40 EDAB CN(C)C(C)(C)CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 40477519 GCCAUKHQYUINNU-UHFFFAOYSA-N 348.490 1.246 0 40 EDAB COCCn1/c(=N/C(C)=O)sc2cc(S(C)(=O)=O)ccc21 100872724 UHYCKEJIFNRMSJ-YPKPFQOOSA-N 328.415 1.200 0 40 EDAB O=C(Nc1cccnc1)[C@]1(F)CCN(c2ccc3nncn3n2)C1 2086866197 QZVTYJSKWLHUOQ-HNNXBMFYSA-N 327.323 1.076 0 40 EDAB Cc1nc(NCCNC(=O)c2cccs2)cc(-n2cccn2)n1 35597287 OBRDAANGOYHQHY-UHFFFAOYSA-N 328.401 1.874 0 40 EDAB C[C@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 40005248 AEHBNUMTPYMOML-STQMWFEESA-N 346.412 1.393 0 40 EDAB Cn1ncc2c(N3CCCC3)nc(NCCCn3ccnc3)nc21 31808771 NRQMMFAQJOSSMU-UHFFFAOYSA-N 326.408 1.662 0 40 EDAB Cc1csc(=O)n1CC(=O)NCc1cn2cc(Cl)ccc2n1 32902294 UURSAASYOSWHNC-UHFFFAOYSA-N 336.804 1.836 0 40 EDAB O=C1CCCc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)O)ccc2N1 32917854 QCRVFNBKGBQHRT-ZDUSSCGKSA-N 338.385 1.199 0 40 EDAB NC(=O)c1ccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)cc1 33324527 KBKAIOSYIQHAOX-UHFFFAOYSA-N 349.350 1.043 0 40 EDAB C[C@@H](O)CNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 538063 ZMMYBNHDNYVBMZ-GFCCVEGCSA-N 337.379 1.711 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1cccnc1 41839256 QKIPWTAZDCFLBM-SNVBAGLBSA-N 333.369 1.452 0 40 EDAB O=C(c1ccsc1)N1CCCN(c2ncnc3[nH]cnc23)CC1 54124910 YKGKAUAPCXJQJG-UHFFFAOYSA-N 328.401 1.767 0 40 EDAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cccnc2)cc1 23324747 BXZVUBIZVNMRMK-UHFFFAOYSA-N 340.383 1.605 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2cc(F)ccc2OC)c2ccccc2O1 23464662 VHRWOEXIWKRCAK-INIZCTEOSA-N 344.342 1.988 0 40 EDAB COc1cccc(CC(=O)NCCNC(=O)c2ccc(O)cc2)c1 47552819 QPPISDDOQBDKJM-UHFFFAOYSA-N 328.368 1.490 0 40 EDAB NC(=O)C1CCN(C(=S)c2ccc(N3CCOCC3)cc2)CC1 574731 GRFIOKMAZCSYAS-UHFFFAOYSA-N 333.457 1.396 0 40 EDAB COC(=O)c1sc2nc(C)nc(N3CCC[C@H](C(N)=O)C3)c2c1C 24107315 FAWSUDKWQZCJBV-JTQLQIEISA-N 348.428 1.796 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 78788777 NCMWCCMXHCIELI-DLBZAZTESA-N 334.464 1.027 0 40 EDAB O[C@H](CN1CCO[C@H](CNc2cccnn2)C1)c1ccccc1F 78893941 KUWMPDPURQQNDV-CZUORRHYSA-N 332.379 1.462 0 40 EDAB Cn1cc(CCCNS(=O)(=O)N2CCC[C@H]2c2ccco2)cn1 78880788 PYCIEBAJZOPHAT-AWEZNQCLSA-N 338.433 1.617 0 40 EDAB Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 3015961 VLUOKRTZWDBYCP-UHFFFAOYSA-N 325.372 1.202 0 40 EDAB CC(C)[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)c2ccccc2N1 78994678 VBONEZUXAXWULG-AWEZNQCLSA-N 342.399 1.030 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(Cl)c1 79101454 OWXHBFCANGUSGB-LBPRGKRZSA-N 341.770 1.497 0 40 EDAB COc1cc(CCC(=O)Nc2ccc(Cn3cncn3)cc2)on1 79492826 VUPDADWPPCZRFD-UHFFFAOYSA-N 327.344 1.894 0 40 EDAB COc1ccc(O[C@H](C)C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 55121506 PQPGPBJRPOTRQN-IAQYHMDHSA-N 327.402 1.156 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106578512 HNJCGJALRXQAGL-JKQORVJESA-N 333.476 1.753 0 40 EDAB CN(C(=O)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 4504607 NUSPDKAMNPKEDI-SECBINFHSA-N 332.219 1.708 0 40 EDAB C[C@@H]1NC(C(=O)N2CCO[C@H]3CCC[C@@H]32)=NN(c2ccccc2)C1=O 56196757 MRNXBPOFTVAUNW-QEJZJMRPSA-N 342.399 1.105 0 40 EDAB Cc1ccc(O[C@@H](C)C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 6845628 OPCRUYWZCROQEC-PLPKTUSISA-N 342.395 1.825 0 40 EDAB COc1cc(CNn2nnnc2N)ccc1OCc1cccs1 8472409 CLPFTMNSENBUNV-UHFFFAOYSA-N 332.389 1.648 0 40 EDAB CC(=O)N1CCN([C@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1 27342215 NWDKMVPJBYYKPU-KRWDZBQOSA-N 342.399 1.827 0 40 EDAB CCOCCC(=O)NC[C@](C)(CC(C)C)NC(=O)CCOCC 72283920 UNCXJCHEHYSKMM-KRWDZBQOSA-N 330.469 1.877 0 40 EDAB Cc1nccn1CCCC(=O)N1CCc2nnc(N(C)C)cc2C1 72279532 ZZJZJYRODINYAA-UHFFFAOYSA-N 328.420 1.413 0 40 EDAB Cc1noc([C@@H](C)OC(=O)CNC(=O)c2ccc3c(c2)OCO3)n1 28216481 SERFTJSJXJOEMX-MRVPVSSYSA-N 333.300 1.141 0 40 EDAB CN1N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 101130338 HZVOWVGSMXQICA-PMPSAXMXSA-N 329.400 1.570 0 40 EDAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(C)on2)c1=O 57478821 BKSFAHYIVHRYBE-UHFFFAOYSA-N 348.384 1.570 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)N1CCC(CN2CCOCC2)CC1 47028357 SOMYGGXRNKJCSO-HNNXBMFYSA-N 335.452 1.025 0 40 EDAB Cn1ccnc1[C@H](NC(=O)NC[C@H]1CCOC1)c1ccc(F)cc1 61578998 NQNWTYBGWHNXKA-IUODEOHRSA-N 332.379 1.984 0 40 EDAB C[C@@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)N1CCOCC1 48274955 WMLGQNPYHGGJJQ-AWEZNQCLSA-N 344.415 1.006 0 40 EDAB CCn1c(=O)n(CC(=O)Nc2c(C)nn(C)c2C)c2ccccc21 48277053 HAIMJMVMLXQCAE-UHFFFAOYSA-N 327.388 1.812 0 40 EDAB C[C@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)NC1CCCC1 12765960 PKJRARXEVYGKFD-NHYWBVRUSA-N 346.383 1.767 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)cc1 12786443 BAMVECNVCKLNKC-UHFFFAOYSA-N 332.360 1.304 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)[C@@H]1CCCN(c2cnccn2)C1 48300734 RELDKWDDNXPWPL-CVEARBPZSA-N 338.411 1.813 0 40 EDAB O=C(NCCCN1CCCC1=O)c1cncc(Br)c1 3413920 GRGNUUWXGZOEHK-UHFFFAOYSA-N 326.194 1.586 0 40 EDAB Cc1cnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nc1C 96013755 QMYQMDSXOUQEAI-HNNXBMFYSA-N 338.477 1.924 0 40 EDAB O=C(CSc1nncc(=O)[nH]1)Nc1ccccc1C(F)(F)F 4248964 WLNOSDXOTJAROD-UHFFFAOYSA-N 330.291 1.915 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(Cc2ccc(CSC(F)F)o2)C1 93531373 NKSPMXPFAHDGKE-VIFPVBQESA-N 340.417 1.859 0 40 EDAB CCN(CC)C(=O)N1CCN(C(=O)c2sc3nccn3c2C)CC1 95449046 FSOZWXIQVJPGMC-UHFFFAOYSA-N 349.460 1.924 0 40 EDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NCCc1ccco1 65487998 GLMISKVTMTZSNB-UHFFFAOYSA-N 338.367 1.635 0 40 EDAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc(F)c2)n1 65542927 XKNWRSCCMBWLSS-UHFFFAOYSA-N 337.376 1.788 0 40 EDAB C[C@@H](CNC(=O)[C@](C)(c1ccccc1)N1CCCC1)N1CCOCC1 65517076 HOSOLYLLDONJRU-PXNSSMCTSA-N 345.487 1.835 0 40 EDAB Cc1cc(CN2CCN(Cc3cn4c(C)cc(C)nc4n3)CC2)on1 65533712 VVEMEQIFDYNGDO-UHFFFAOYSA-N 340.431 1.960 0 40 EDAB CCCCn1c(=O)c(CCC(=O)O[C@H](C)C(N)=O)nc2ccccc21 5335156 XDNXVWAEEJOGDL-GFCCVEGCSA-N 345.399 1.546 0 40 EDAB COc1ccc(OC[C@@H](O)Cn2cnc3cc(F)ccc3c2=O)cc1 14122998 BMHFZHVPLPFHKK-ZDUSSCGKSA-N 344.342 1.984 0 40 EDAB CC(C)C(=O)N1CCN(Cn2nnc(-c3ccc(F)cc3)n2)CC1 14114516 VFGVHFGKALSOMO-UHFFFAOYSA-N 332.383 1.237 0 40 EDAB CCCCN(Cn1ncc2ccccc2c1=O)[C@@H]1CCS(=O)(=O)C1 14189701 UWOILRQKSHYSQT-OAHLLOKOSA-N 349.456 1.643 0 40 EDAB CC1(C)[C@@H](C(=O)Nc2cccc(CC(=O)NC3CC3)c2)[C@H]1C(=O)O 72400895 ZZDYSHWUQWMHBG-CABCVRRESA-N 330.384 1.803 0 40 EDAB COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1 6509078 BLIDANQMSARENI-DZGCQCFKSA-N 335.381 1.137 0 40 EDAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(=O)[nH]n1)CC2 6662841 QOGWYBABWOHNFN-JTQLQIEISA-N 329.356 1.547 0 40 EDAB NC(=O)c1ccccc1NC(=O)c1cccc(CN2CCOCC2)c1 20105701 UMFDBCUHZPPWLC-UHFFFAOYSA-N 339.395 1.870 0 40 EDAB CC(C)Oc1ccc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)cn1 66383606 LZAGSVHVDYPNLC-UHFFFAOYSA-N 331.376 1.406 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 9483728 SSIYVCINWMPMRC-NSHDSACASA-N 325.365 1.438 0 40 EDAB COc1ccc(N2C(=O)/C(=C/NCCO)c3ccccc3C2=O)cc1 5908348 ZPZRRKJWRAXNLJ-SFQUDFHCSA-N 338.363 1.805 0 40 EDAB C[C@H]1CCCN(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 67465222 FCOTXFOKAXDPHD-HNNXBMFYSA-N 346.475 1.920 0 40 EDAB O=c1[nH]c(=O)n(Cc2nc(CCc3ccccc3)no2)cc1Cl 84529227 BYUAZKNBKDXNSO-UHFFFAOYSA-N 332.747 1.407 0 40 EDAB CCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408611030 PQYXIXQDGUSIIK-UHFFFAOYSA-N 339.244 1.891 0 40 EDAB NC(=O)c1ccc(COC(=O)CCNC(=O)c2ccsc2)cc1 16133807 GRQGQSMPHHUCNY-UHFFFAOYSA-N 332.381 1.710 0 40 EDAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1C(=O)CN(C)C1=O 7986981 QQIOMWDLLZQUJB-UHFFFAOYSA-N 341.314 1.140 0 40 EDAB C[C@@H](O)CN1CCN(CC(=O)N2CCc3sccc3C2)C[C@H]1C 71864424 FHWHDZWVSFBEBJ-ZIAGYGMSSA-N 337.489 1.020 0 40 EDAB CCc1ccccc1N1C[C@@H](C(=O)N2CCCn3ncnc32)CC1=O 71839368 JJVLKSZTVBGFFN-AWEZNQCLSA-N 339.399 1.630 0 40 EDAB Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1cc(F)cc(F)c1 71853755 HGZJTULHODXMRQ-UHFFFAOYSA-N 346.380 1.912 0 40 EDAB CS(=O)(=O)Nc1ccc(/C=C/C(=O)NCCCC(=O)O)cc1 95389837 GUYFLUHBXIQZGE-RMKNXTFCSA-N 326.374 1.052 0 40 EDAB Cc1nc2c3ccccc3nc(N3CCN(CCCO)CC3)n2n1 71899532 KVDCJVBHBDKFNY-UHFFFAOYSA-N 326.404 1.090 0 40 EDAB O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(=O)[nH]c1 71833028 YALLYLNWYKDZMG-MRXNPFEDSA-N 345.374 1.317 0 40 EDAB C[C@@H](CNC(=O)Nc1ccc(Cn2cccn2)cc1)N1CCOCC1 69201253 NBTVXSMNJTVYPT-HNNXBMFYSA-N 343.431 1.774 0 40 EDAB O=C(NCCO)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409136515 UYVZEKFUGWDGIE-UHFFFAOYSA-N 334.357 1.064 0 40 EDAB C[C@H](c1ccc(NC(=O)CNC(=O)C2CC2)cc1)N1CCOCC1 69452390 YXNHDXYUFWNJBR-CYBMUJFWSA-N 331.416 1.545 0 40 EDAB CN(C)C[C@@H]1CCCCN1C(=O)C1CCN(c2ncccn2)CC1 69439208 AVXKWICKFBVBPR-INIZCTEOSA-N 331.464 1.636 0 40 EDAB CN(C[C@H]1CN(Cc2nc(C3CC3)no2)CCO1)c1cccnn1 83859335 VMOJOLBJPYMXIP-ZDUSSCGKSA-N 330.392 1.074 0 40 EDAB Cc1ccc(F)c(N2CCC[C@H](Nc3ccc4nnnn4n3)C2=O)c1 95398159 JLDCNDGPSTYGIT-LBPRGKRZSA-N 341.350 1.574 0 40 EDAB Cc1ccc(C(=O)NCC(=O)N2CCC3(CC2)OC[C@H](C)O3)cc1C 71915905 PQIXYALVIGEHRN-HNNXBMFYSA-N 346.427 1.787 0 40 EDAB Cn1nccc1C(=O)N1CCCN(Cc2ncc(Cl)n2C)CC1 69626887 PRFDLEKFVGFPKA-UHFFFAOYSA-N 336.827 1.155 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](n2ccnc2)C1 69656628 SHUCDYUUJYYHIK-CQSZACIVSA-N 337.383 1.457 0 40 EDAB Cc1sc(-c2ccco2)nc1C(=O)N1CCN(C[C@@H](C)O)CC1 69773569 GNNDKYLXKPNNQM-LLVKDONJSA-N 335.429 1.850 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)N(C)c1nccs1 69704000 SNSZPOBAZYWECE-KGLIPLIRSA-N 336.461 1.581 0 40 EDAB C[C@H](CCN1CCOCC1)NC(=O)COc1ccc(Cl)cc1 69873532 HCOYHNFHTJPHLL-CYBMUJFWSA-N 326.824 1.946 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)Nc2cccnc2N2CCOCC2)C1 69844505 RQVUJALPJMNIND-AWEZNQCLSA-N 347.419 1.051 0 40 EDAB O=C(NCCNC(=O)c1ccco1)NCC[S@@](=O)c1ccccc1 69975403 BSVSBWASBWZGMO-DEOSSOPVSA-N 349.412 1.116 0 40 EDAB Cn1cccc1C(=O)NC(=O)CSc1nnc(CN2CCCC2)o1 9870372 CROSFLOUEDAJQK-UHFFFAOYSA-N 349.416 1.053 0 40 EDAB CN(CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)CC(F)F 95430670 CQOZTLRNZPPUGG-UHFFFAOYSA-N 340.374 1.560 0 40 EDAB CCC(=O)N1CCC[C@@H](C(=O)NCCOc2ccc(C(=O)O)cc2)C1 95464496 QIWZPVRKZMNVAR-CQSZACIVSA-N 348.399 1.528 0 40 EDAB Cc1nnc(CNC(=O)c2cc(F)ccc2NC(=O)[C@H]2C[C@H]2C)n1C 72281835 LVUYLXMCTPLQHT-SKDRFNHKSA-N 345.378 1.787 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)[nH]c(=O)n3C)no1 72299642 WPOFCHJKDOTKES-CYBMUJFWSA-N 341.371 1.789 0 40 EDAB O=C(O)C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 72291187 YQGOCVHFEVJWAE-OAHLLOKOSA-N 330.384 1.358 0 40 EDAB CCN(C[C@H](C)C(=O)O)C(=O)Cc1ccc(N2CCCC2=O)cc1 95989513 OKZXYAGYDFKPEA-ZDUSSCGKSA-N 332.400 1.925 0 40 EDAB C[C@H](NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccn1 85601223 ZOTLRZDIBCVUJR-IHRRRGAJSA-N 327.384 1.600 0 40 EDAB C[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1=O)N1CCc2ccccc2C1 89448837 OJFPKDYLSKNJIF-SUMWQHHRSA-N 327.428 1.313 0 40 EDAB CCOC(=O)N[C@@H]1CC[C@H]2[C@H](C(=O)O)[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]2C1 113902838 IYJNBOZDJDFHBC-DKYFYASOSA-N 339.388 1.800 0 40 EDAB Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)o1 306142486 XAMLIXNHCSBRGO-KBAYOESNSA-N 341.411 1.860 0 40 EDAB CC1(C)NC(=O)N(CCCN2CC[C@@H](CNc3ccccn3)C2)C1=O 65502549 HVHBRXMYLLXWMG-AWEZNQCLSA-N 345.447 1.536 0 40 EDAB O=C(O)CN(C(=O)CCOc1ccc(F)cc1)C1CCOCC1 514644049 AKTCUCRZHCCCCQ-UHFFFAOYSA-N 325.336 1.687 0 40 EDAB CNC(=O)c1cc(O[C@H]2CCCN(c3cc(C)ncn3)C2)ccn1 521398570 QKAPRICEZYHUAJ-AWEZNQCLSA-N 327.388 1.587 0 40 EDAB O=C1O[C@]2(C[C@@H]1n1cnc3ccccc3c1=O)C(=O)Nc1ccccc12 5664239 WXXWBNXZGRMTHR-KXBFYZLASA-N 347.330 1.732 0 40 EDAB biogenic C[C@@H](NC(=O)NCC(=O)N1CCCCC1)C(=O)Nc1ccccc1 78988685 MFDIDZUAWWBCMX-CYBMUJFWSA-N 332.404 1.325 0 40 EDAB C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2CCN3CC[C@@H](OC1=O)[C@H]23 33838204 BTHCJHQOYFUIMG-FFGVNVOTSA-N 337.416 1.273 0 40 EDAB biogenic Cc1ccoc1C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 78505768 XURLQULXIYODBA-UHFFFAOYSA-N 342.399 1.615 0 40 EDAB O=C(CCn1cnnn1)NCc1cc(-c2cccc(Cl)c2)no1 66089169 HZBNTVFWCSVSFZ-UHFFFAOYSA-N 332.751 1.688 0 40 EDAB COc1ccc2cc(C)c3nn(CN4CCOCC4)c(=O)n3c2c1 72347002 UBPCYXVLJQKJBO-UHFFFAOYSA-N 328.372 1.256 0 40 EDAB Cc1ccc(C)c(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)c1 32647365 CXKKOZRUXYWVQA-UHFFFAOYSA-N 326.360 1.089 0 40 EDAB COC(=O)[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)C(C)C 36370077 HPYNDZOIOVWVRP-HNNXBMFYSA-N 331.372 1.100 0 40 EDAB biogenic O=C(NCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC1 48168780 XFVDLHKMAXVLJD-LBPRGKRZSA-N 349.818 1.335 0 40 EDAB Cc1cccc(OC[C@@H](C)NS(=O)(=O)N2CCC[C@@H]2C(=O)O)c1 573798436 GPYNDANNWABPJY-TZMCWYRMSA-N 342.417 1.146 0 40 EDAB C[C@@]1(c2ccccc2)CN(S(=O)(=O)NCC(F)(F)F)CCO1 195385085 RALWXLKNYYZDDQ-LBPRGKRZSA-N 338.351 1.631 0 40 EDAB CN(C)c1cc(C(=O)N2CCN(c3cc(Cl)ncn3)CC2)ccn1 81764301 YHKZLXGTHVKJPB-UHFFFAOYSA-N 346.822 1.553 0 40 EDAB Cc1cccn2c(=O)c(C(=O)NC3C[C@@H]4CC[C@H](C3)N4C)cnc12 570796447 JCJMOUCRAQRIHO-AGUYFDCRSA-N 326.400 1.358 0 40 EDAB C[C@@H](C(=O)NC(C)(C)C)N1CCC(C(=O)Nc2cnccn2)CC1 40554937 XBJFCRFTZDQALA-LBPRGKRZSA-N 333.436 1.430 0 40 EDAB C[C@@]1(c2cnccn2)NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O 192597750 PTSXLAAGVVVBLC-LRDDRELGSA-N 348.309 1.255 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 572100549 FFJFSMMRQBXUHO-GDZNZVCISA-N 349.383 1.697 0 40 EDAB CCCN(CC(=O)OC)S(=O)(=O)c1ccc(OC)c(OC)c1 45813525 LRPOJWAJUFJIIS-UHFFFAOYSA-N 331.390 1.278 0 40 EDAB COc1ccc(CCNC(=O)c2cc(N3CCOCC3)on2)cc1 224071844 FLYSQXMKTOEQII-UHFFFAOYSA-N 331.372 1.492 0 40 EDAB Cn1cc(CN2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)cn1 96058094 OAQIXOIHZXQGSA-KSZLIROESA-N 328.416 1.764 0 40 EDAB Cc1cc(C(=O)N2CC[C@H]3OCC[C@@H](c4nnc(C)o4)[C@H]3C2)no1 96066408 MXABGCCLZRJTFX-YRGRVCCFSA-N 332.360 1.709 0 40 EDAB COc1cccc(S(=O)(=O)N2CC[C@H](OC)[C@H]3OCC[C@@H]32)c1 96220656 KBDFCKGHQFOFSM-KKUMJFAQSA-N 327.402 1.262 0 40 EDAB COC(=O)c1ccc(N2CCc3ccccc3[C@@H]2CN)nc1OC 576874776 CNSCBPRKLGLCFZ-HNNXBMFYSA-N 327.384 1.939 0 40 EDAB CCn1cc(Br)c(=O)c(NC(=O)[C@@H]2CCO[C@H]2C)c1 97374318 COVCAYDRZHFLNY-DTWKUNHWSA-N 329.194 1.994 0 40 EDAB Cn1c(-c2ccccc2F)nnc1S(=O)(=O)C[C@H]1CCCCO1 96474348 BLUDDTMSSZFAEK-LLVKDONJSA-N 339.392 1.964 0 40 EDAB CC(C)n1cc(S(=O)(=O)NC[C@H]2COc3ccccc3C2)cn1 96427644 YDNHVZFETIWLGY-ZDUSSCGKSA-N 335.429 1.994 0 40 EDAB COc1ccc(OC[C@@H](O)CN2CCc3ncnc(OC)c3C2)cc1 97202055 MWKLOICUQBHIEM-ZDUSSCGKSA-N 345.399 1.292 0 40 EDAB CO[C@H](C(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1 96414027 FUJXHPVEIZRQGL-AAEUAGOBSA-N 330.306 1.654 0 40 EDAB O=C(Cc1ccccn1)N1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 96161410 URGFHGCTQYHQKD-YLJYHZDGSA-N 335.407 1.756 0 40 EDAB CN(C)c1ncc(CNC(=O)N2CCc3ccccc3[C@@H]2CO)n1C 95417276 MUSLDJNAZFUICF-INIZCTEOSA-N 343.431 1.287 0 40 EDAB CN(c1ncccn1)[C@@H]1CO[C@]2(CCN(Cc3cncn3C)C2)C1 96219785 HSRVEPUIZZWXEP-WMLDXEAASA-N 328.420 1.080 0 40 EDAB C[C@H](CNC(=O)NC[C@@](C)(O)c1cnn(C)c1)Cc1cccs1 96440846 UQRFOZCTCYXLLG-BLLLJJGKSA-N 336.461 1.867 0 40 EDAB Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CCS(=O)(=O)N(C)C)C1 96487376 KBCDQUAYDIULIS-LSDHHAIUSA-N 338.473 1.981 0 40 EDAB Cn1cc(CNC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)cn1 96485866 VMVRIQHHSRFIDJ-ZDUSSCGKSA-N 326.759 1.745 0 40 EDAB COC[C@@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1cccc(C)c1)C2 96209828 OVMRYTHLGHXUIO-DOTOQJQBSA-N 338.473 1.584 0 40 EDAB c1ccc(Cn2cc3c(n2)[C@@H](CNC2CCOCC2)OCC3)nc1 96044461 FBIVPHUGXDGQKQ-QGZVFWFLSA-N 328.416 1.709 0 40 EDAB Cc1ccccc1CN(C)C(=O)CN1CCC[C@](O)(c2cnn[nH]2)C1 583618018 VBGWMJKCFYZMLX-GOSISDBHSA-N 343.431 1.055 0 40 EDAB CN1C(=O)CC[C@@H](NC(=O)COC2CCCCC2)[C@@H]1c1cncn1C 583620971 VJBMDQHZUYDNOC-RDTXWAMCSA-N 348.447 1.548 0 40 EDAB COc1ccccc1CN1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 96065259 YQKMHXIKRHAWKA-ZACQAIPSSA-N 346.427 1.554 0 40 EDAB O=C1C[C@H](c2ccncc2)C2(CCN(C(=O)c3cscn3)CC2)N1 96199932 IGOBRKKDSMPOFE-CYBMUJFWSA-N 342.424 1.817 0 40 EDAB O=C(CC1CC1)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1ccccn1 96219382 VQWUEUSMPIOMSE-RDTXWAMCSA-N 329.400 1.225 0 40 EDAB Fc1cnc(N2CC[C@@H]3OCCN(Cc4cccnc4)[C@@H]3CC2)nc1 247550951 VZYJJESTLNYUTC-SJORKVTESA-N 343.406 1.881 0 40 EDAB O=C(NCCN1CCCC1)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccco2)O1 247377679 IPJIDSKBJKZDTL-ZACQAIPSSA-N 333.432 1.223 0 40 EDAB N[C@]1(CO)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242538987 JKUXKKNUZIABGL-ARFHVFGLSA-N 337.828 1.970 0 40 EDAB CCc1noc(CCC(=O)N[C@H]2CCCN(c3ccccn3)C2)n1 257212973 CFQOYBBUEPLLSF-ZDUSSCGKSA-N 329.404 1.745 0 40 EDAB C[C@@H](NC[C@@H]1CCC=CO1)C(=O)Nc1ccc(-n2cncn2)cc1 252483946 FLGOUERNMHIYHA-CJNGLKHVSA-N 327.388 1.877 0 40 EDAB O=C(c1ncccn1)N1CCOC[C@@H](Cc2ccc3[nH]ncc3c2)C1 257332955 XZLIXXRFAQWLGZ-AWEZNQCLSA-N 337.383 1.684 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCO[C@H](c2cccc(N(C)C)n2)C1 257288942 PWIYWEVGWNKBPW-INIZCTEOSA-N 344.415 1.895 0 40 EDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)c2ncccn2)C3)n1 253477336 FFXMBXQQJKTTAI-ZDUSSCGKSA-N 341.371 1.028 0 40 EDAB C[C@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1Cc1ccco1 253591586 OUVQVQLZSBQREU-AWEZNQCLSA-N 344.415 1.454 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H]1c1cncc(N(C)C)n1 257268496 MLXXATKUTZSKHY-HNNXBMFYSA-N 328.420 1.789 0 40 EDAB CC(C)(C)OC(=O)N1CCC(NC(=O)[C@H]2CCCNC2=O)CC1 585089482 QFIUZONGUJLNOS-LBPRGKRZSA-N 325.409 1.028 0 40 EDAB CN1CCC[C@H](N2CCn3c(Cc4ccccc4)nnc3C2)C1=O 540908122 VKWFSXXBBWGGAT-HNNXBMFYSA-N 325.416 1.305 0 40 EDAB CC(C)c1nnc(CCC(=O)N2CC[C@](O)(CN3CCCC3)C2)o1 257324789 WQEPQSUXENJDSJ-KRWDZBQOSA-N 336.436 1.185 0 40 EDAB COc1ccc([C@H]2CNCCN2C(=O)CCc2ccnn2C)cc1 257290041 QBHOETKEBNKVPL-QGZVFWFLSA-N 328.416 1.534 0 40 EDAB COC(=O)C[C@@H](NC(C)=O)C(=O)Nc1cccc2c1OC(C)(C)CC2 585124107 SLAWGLRSWBCFTH-CQSZACIVSA-N 348.399 1.797 0 40 EDAB Cc1cc(N)cc([C@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 257315106 UZXWHIOFVXHGLE-OAHLLOKOSA-N 325.434 1.618 0 40 EDAB O=C(NC1(CO)CCSCC1)[C@@H]1CSC(c2ccccc2)=N1 585122318 WTKGJVYRIRLOBA-ZDUSSCGKSA-N 336.482 1.923 0 40 EDAB CCS(=O)(=O)NCC[C@@H]1CN(C2CCCC2)Cc2ccnn21 253490046 HHTFYNARYNRTLO-OAHLLOKOSA-N 326.466 1.512 0 40 EDAB CS(=O)(=O)c1cncnc1C1CCN([C@H]2CCCC[C@H]2O)CC1 257343469 ZTDNEBSUSYSTAQ-UONOGXRCSA-N 339.461 1.363 0 40 EDAB CNc1cccc([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)n1 257301310 RXXRYZLMDSNJFD-HNNXBMFYSA-N 329.404 1.606 0 40 EDAB Cc1cnc(N2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1 253600995 GIYMIKRQKSVIFN-RDJZCZTQSA-N 329.404 1.436 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)nc(C)n1 257257729 KQWDUKVSBQVGJX-INIZCTEOSA-N 338.371 1.578 0 40 EDAB CNc1cc([C@H]2CCCN2C(=O)COc2cccnc2)nc(C)n1 257270020 MSMCEZWPGWOTKV-OAHLLOKOSA-N 327.388 1.964 0 40 EDAB CCS(=O)(=O)NC[C@H]1CN(Cc2cccs2)Cc2cncn21 253490373 ILHSHEBMDKTZNN-ZDUSSCGKSA-N 340.474 1.441 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H]1c1ccnc(N(C)C)c1 257227347 FOWMBOYFRMFSGB-AWEZNQCLSA-N 349.460 1.715 0 40 EDAB CC1(C)CN(C(=O)Cn2ncn3nccc3c2=O)[C@H]1c1ccccc1 601972445 QSMOTHPLUUAHNL-INIZCTEOSA-N 337.383 1.501 0 40 EDAB Cc1nc(C)c(C(=O)N2[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)o1 1615550917 VRNVJQVSJNRUAD-IHRRRGAJSA-N 333.388 1.286 0 40 EDAB COC(=O)[C@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)Cc2ccccc21 599505522 RDIXRFRVXRTCFD-WFASDCNBSA-N 338.429 1.345 0 40 EDAB Cc1ccccc1O[C@H](C)Cn1nnnc1N(C)C[C@H]1COCCO1 1616031973 CDUXWVPEYWGCBT-CABCVRRESA-N 347.419 1.301 0 40 EDAB O=C(Cn1cnc2ccccc21)Nc1nc2c(s1)C(=O)NCCC2 96124376 TXSPUWUDCWOYON-UHFFFAOYSA-N 341.396 1.808 0 40 EDAB CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NCc1cccc(Cl)c1 575420154 GLZVRYGVUJZLIR-CHWSQXEVSA-N 346.836 1.341 0 40 EDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)c2cccc(COC)c2)C1 585277701 KQKWMLDOTNRUMP-SFHVURJKSA-N 334.416 1.326 0 40 EDAB CC(C)(C)OC(=O)NOC(C)(C)COC(=O)C[C@H]1COC(=O)C1 585135857 GJHXVPIEJZJCBV-JTQLQIEISA-N 331.365 1.718 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)CCn1ccnc1 585287964 KAWIRIXIPILZAN-KBXCAEBGSA-N 348.447 1.338 0 40 EDAB O=c1cc(CN2CCC3(CC2)OCCO3)c2cc3c(cc2o1)OCO3 54220034 NWDHWXWVZNGXRK-UHFFFAOYSA-N 345.351 1.861 0 40 EDAB biogenic CCc1nncn1CCNC(=O)[C@@H](C)OCc1cccc(OC)c1 75144787 LHQCIFVCIOJBHB-CYBMUJFWSA-N 332.404 1.571 0 40 EDAB C[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1N1CCOCC1 76054840 XWYNTOFVTPJZBQ-NWDGAFQWSA-N 346.353 1.081 0 40 EDAB Cc1cccn2cc(CC(=O)N3C[C@H](C)[C@H](N4CCOCC4)C3)nc12 76051232 IQQAOFJIBCGKIX-DOTOQJQBSA-N 342.443 1.364 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cnn(C)c1 78941311 WIOFTBQWBKWMAF-CZUORRHYSA-N 341.415 1.581 0 40 EDAB CCc1nc(C(=O)N[C@@H](C)CCNC(=O)c2cnc(C)s2)co1 1075857387 MNUQDFYJYWBSBL-VIFPVBQESA-N 336.417 1.940 0 40 EDAB CC(C)(C)n1nnnc1CN1C[C@H]2C[C@H]1CN2Cc1ccccc1 585116323 QNSYUCHHTZCYBS-CVEARBPZSA-N 326.448 1.887 0 40 EDAB CCC(=O)NCCn1nc(-c2ccc(OC)cc2)n(C2CC2)c1=O 585200056 LZOHPFRTCQLRHF-UHFFFAOYSA-N 330.388 1.582 0 40 EDAB Cc1nc2ccccc2c2nn(CC(=O)N(C(C)C)C(C)C)c(=O)n12 12144985 REYSGEKROBKUKK-UHFFFAOYSA-N 341.415 1.998 0 40 EDAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)NCCn3ccc(C)n3)N2C=C1 12199167 XQFQWIDXJHZZAX-KRWDZBQOSA-N 327.388 1.171 0 40 EDAB CS(=O)(=O)c1snnc1[C@H]1CCCN(C(=O)c2ccco2)C1 12730383 IGLILOKZBZNSRR-VIFPVBQESA-N 341.414 1.554 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCCCn2cccn2)c1 14238078 UMSKAFBAGBQQRO-UHFFFAOYSA-N 325.390 1.269 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N(C)C[C@H]1Cc2ccccc2CO1 225791049 IJYPXOLNAFKBPI-MRXNPFEDSA-N 349.456 1.799 0 40 EDAB O=C(C1CCN(c2cc(=O)n3ccccc3n2)CC1)N1CCCC1 10999494 HPGAJXLAEQQVHN-UHFFFAOYSA-N 326.400 1.533 0 40 EDAB Cc1c(-c2c(N3CCCC3)c(=O)c2=O)c(=O)n(-c2ccccc2)n1C 26330596 QFFULCVWXLXHRL-UHFFFAOYSA-N 337.379 1.348 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CCN(C)C[C@@H](C(N)=O)C3)cc2c1C 1848352403 VEZXFKZYRNRNFB-CQSZACIVSA-N 328.416 1.274 0 40 EDAB CSc1ccc(CCC(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)cc1 238836878 GXRHNSQYUYVWKO-CYBMUJFWSA-N 348.424 1.921 0 40 EDAB CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)[C@@H]1CCOC1)CCC2 1614938316 ZHXRVJJMIOFNLP-CYBMUJFWSA-N 348.447 1.428 0 40 EDAB Cc1ccc(C(=O)N2CCCn3nnc(Cn4nncc4C)c3C2)o1 1565553551 CXOYKPHMKNDATF-UHFFFAOYSA-N 341.375 1.174 0 40 EDAB Cc1cc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)no1 4166258 IBEFWSYZXBSZOQ-UHFFFAOYSA-N 330.348 1.283 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)c2cccs2)CC1 2055747081 DWEMNSLUAGYRIL-UHFFFAOYSA-N 347.444 1.315 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)c2ccc(OC)cc2)C1 2055771885 GRRQXKDXQGLICL-SFHVURJKSA-N 342.399 1.269 0 40 EDAB Cn1cc(N2C[C@]3(CCN(C(=O)CCc4ccc[nH]4)C3)CC2=O)cn1 2055812470 JSYMLIKTULUITH-GOSISDBHSA-N 341.415 1.336 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCC(n3ccnn3)CC2)c1 537674512 PRCIOFKNWJXDPD-UHFFFAOYSA-N 334.401 1.507 0 40 EDAB COc1ccccc1OCC(=O)N1CCN(c2cccnc2)C(=O)C1 585150316 QXACMYBMAQCZSM-UHFFFAOYSA-N 341.367 1.344 0 40 EDAB COc1ccc(CCS(=O)(=O)NC[C@@](C)(O)CCSC)cc1 75157590 GLJVMYLBPCFNEV-HNNXBMFYSA-N 347.502 1.661 0 40 EDAB CCOc1ccc(S(=O)(=O)NC[C@H](O)c2cccn2C)cc1F 75155124 AFFXJMVAMXKATA-AWEZNQCLSA-N 342.392 1.575 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H](C(N)=O)C3)c12 40480668 XERQMURDQFLKIK-NSHDSACASA-N 328.372 1.746 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)[nH]nc1C 31773531 WYYQKJLMQHCIHL-UHFFFAOYSA-N 340.792 1.866 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N2CCCc3ccccc32)no1 40528910 MRBXVRSSAHAGDJ-UHFFFAOYSA-N 334.397 1.877 0 40 EDAB CCCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cc(C)on4)C(=O)[C@H]13)O2 101427985 HAIBJUHUAJTFBZ-CVGURMSBSA-N 331.372 1.186 0 40 EDAB CCN(CC)[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccsc1 41441410 SCGRNSTYRMVAQA-KBPBESRZSA-N 344.502 1.682 0 40 EDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCO[C@H]2CCCC[C@H]21 53516601 ADVCNEHCENCASZ-CABCVRRESA-N 345.378 1.649 0 40 EDAB C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CCC(N)=O)C1=O 42178574 AJNAOCFEMJYQKW-CYBMUJFWSA-N 329.278 1.348 0 40 EDAB CN1C(=O)c2ccc(C(=O)NCCCOCc3ccco3)cc2C1=O 42659279 AHDGKGJOFJMRSM-UHFFFAOYSA-N 342.351 1.842 0 40 EDAB CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(OCC)cc1 1075930 MWGHVHQXSRFZSB-UHFFFAOYSA-N 344.331 1.475 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 371851 QMHQDRHBKIXVMT-FSDCSDTHSA-N 326.396 1.858 0 40 EDAB COc1cccc(N2CCN(C(=O)NCc3cnn(C)c3)CC2)c1 54807757 NPFASLAHEBOWBE-UHFFFAOYSA-N 329.404 1.461 0 40 EDAB Cc1nnc(SCC(=O)Nc2cccc3ccccc23)n(N)c1=O 2455498 BXNAUPAHHPZWCU-UHFFFAOYSA-N 341.396 1.545 0 40 EDAB O=C(COC(=O)C1=COCCO1)Nc1ncc(Cl)cc1Cl 3533132 TZHCPXBJCRIPPR-UHFFFAOYSA-N 333.127 1.758 0 40 EDAB CCN(CC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)[C@H](C)CS(C)(=O)=O 106798801 LCKDWENGZNRWHU-OWYFMNJBSA-N 344.521 1.682 0 40 EDAB O=Cc1ccc(OCC(=O)N2CCOCC2)c(Br)c1 6321005 SLUZUIWCAKABPH-UHFFFAOYSA-N 328.162 1.499 0 40 EDAB O=C(C[C@H](NCCCO)C(=O)O)Nc1cccc(Cl)c1Cl 6480245 WWCAULYCSKCVQD-JTQLQIEISA-N 335.187 1.747 0 40 EDAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCCCCC1=O 6784531 NXIWZVMETIFGEB-UHFFFAOYSA-N 331.416 1.761 0 40 EDAB CC(C)N(C)CC(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107520377 JCQDUNMZOBYORL-MSOLQXFVSA-N 331.460 1.438 0 40 EDAB CCCS(=O)(=O)NCCS(=O)(=O)Nc1ccc(C)c(F)c1 57006314 WDTSUQSQPQZMKZ-UHFFFAOYSA-N 338.426 1.205 0 40 EDAB Cc1cccc(OCCN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c1 84211242 SGYIUEYTXIRNFA-OAHLLOKOSA-N 327.384 1.725 0 40 EDAB O=C(CCNC(=O)N1CCN(c2ccccc2)CC1)N1CCCC1 10080914 JCSJUOPRJQDBJT-UHFFFAOYSA-N 330.432 1.531 0 40 EDAB CC(=O)N1CCN(C(=O)CCc2nc(-c3ccsc3)no2)CC1 27476754 VMJYFGLCWFWXQZ-UHFFFAOYSA-N 334.401 1.421 0 40 EDAB Cc1cc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nc(C)n1 97109535 OETFYOSAFMDTKT-HNNXBMFYSA-N 338.477 1.924 0 40 EDAB CCOC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCCC2)cn1 58195364 MVFOVAMIAAJFEP-NSHDSACASA-N 344.458 1.910 0 40 EDAB CC(C)CN1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 44871718 XJIBBYBITQHILG-UHFFFAOYSA-N 329.444 1.946 0 40 EDAB CS(=O)(=O)c1ccc(NCC[C@@H]2CCCO2)c(S(C)(=O)=O)c1 58265455 CGSDBVCCIWESGH-NSHDSACASA-N 347.458 1.475 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)N[C@H]1CCN2CCCC[C@H]12 44969091 STXANFSHDHZZJQ-LSDHHAIUSA-N 341.419 1.088 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccn(Cc2ccccc2)n1 44970255 NZNANRBGIDUJDX-CQSZACIVSA-N 348.428 1.294 0 40 EDAB CCn1cnnc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(F)c2)C1 44942473 VKVNHWHDPKCKQR-LBPRGKRZSA-N 345.378 1.415 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC(C)(C)C(=O)OC)c(Cl)c1 58355549 OZTSEQIVZPQGOI-UHFFFAOYSA-N 349.792 1.357 0 40 EDAB O=C(Nc1ncccn1)C1CCN(C[C@@H](O)c2cccc(F)c2)CC1 58342832 XFJWYAHHHODMIF-MRXNPFEDSA-N 344.390 2.000 0 40 EDAB O=S(=O)(N1CCC2(CC1)OCCO2)N1CCc2ccccc2C1 58356477 WDJOSPFRGRBALY-UHFFFAOYSA-N 338.429 1.128 0 40 EDAB CN(C)c1nc(Cl)nc(N2CC(=O)[C@H](c3ccccc3)C2=N)n1 106934641 YRRXWMVLXXXFEK-NSHDSACASA-N 330.779 1.741 0 40 EDAB COc1cc(F)c(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)cc1OC 28326116 VYHAHUQRYZMLEM-MWLCHTKSSA-N 333.381 1.689 0 40 EDAB Cc1ccc(F)c(CN2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3C2)c1 108528679 KNTTVUCUVSRPNQ-HOTGVXAUSA-N 342.436 1.369 0 40 EDAB COCCNC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C 28650991 BUADCULOLYWEDW-UHFFFAOYSA-N 328.434 1.043 0 40 EDAB NC(=O)c1cccc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)c1 84374417 PFZGKRMNQSQSSE-OAHLLOKOSA-N 332.404 1.114 0 40 EDAB C[C@@H](NC(=S)NCCCN1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2 102664015 RCRSUUKSJLBIGR-UGUYLWEFSA-N 325.522 1.998 0 40 EDAB Cc1cc([C@@](C)(O)CNS(=O)(=O)c2cnn(C(C)C)c2)c(C)o1 95433214 AXQDKIDMYFQDRT-HNNXBMFYSA-N 341.433 1.860 0 40 EDAB O=C(NCCCn1ccnc1)c1cccc(CN2CCOCC2)c1 22509646 JKUBWRYFLWFYEU-UHFFFAOYSA-N 328.416 1.535 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F 11667636 MOODWPVZKBDFAL-CWSCBRNRSA-N 348.346 1.636 0 40 EDAB O=C1O[C@@H]2CC[C@@H]3[C@@H]2[C@H]2[C@H]1[C@H]1[C@H]4CC[C@@H]5OC(=O)[C@H]6[C@H]([C@H]54)[C@@H]1[C@@H]2[C@@H]36 104285409 HHHGRVYNFBEVKI-GBQDFEBOSA-N 326.392 1.874 0 40 EDAB CCn1nc(C)c2c1cnn2CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 57279850 VHOQZHCWVSVLNZ-OLZOCXBDSA-N 345.403 1.344 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)C[C@@H](NC(N)=O)c1ccccc1F 48273155 JNIJOXYSQUGCQN-BXUZGUMPSA-N 333.367 1.327 0 40 EDAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cncc(O)c1 95395209 DDRZQPMAEAWULT-UHFFFAOYSA-N 325.368 1.952 0 40 EDAB COC[C@H](C)NC(=O)COC(=O)c1cc2c(s1)CCSC2 84640379 LCHFUEKIPZVBHT-VIFPVBQESA-N 329.443 1.845 0 40 EDAB CCN(CC)Cc1ccc(CNC(=O)[C@H](C)N2CCOCC2)cc1 48363255 QPHKDFADOFXKFG-INIZCTEOSA-N 333.476 1.865 0 40 EDAB O=C1CC[C@H](C(=O)NCc2cccnc2OCc2ccccc2)N1 48313971 XEWGTIVBELMBAG-OAHLLOKOSA-N 325.368 1.555 0 40 EDAB COCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 3485730 WLXVCELFCCZXTG-UHFFFAOYSA-N 340.836 1.990 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccccc2)C1=O 3437289 PPEICSDKFDHACA-UHFFFAOYSA-N 347.371 1.279 0 40 EDAB Cc1cc(C)nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1 13006343 IUJWTPBEMRUROT-UHFFFAOYSA-N 329.385 1.994 0 40 EDAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)O)cc2oc1=O 4045140 RXBKJGSJHGUFCN-QWRGUYRKSA-N 333.340 1.766 0 40 EDAB biogenic O=C(CSc1n[nH]c(=O)n1C1CC1)NCc1ccccc1Cl 13638261 LLNJTWPXKLCHRJ-UHFFFAOYSA-N 338.820 1.968 0 40 EDAB CCn1c(=O)c2c(nc3n2CCN3c2ccc(C)c(C)c2)n(C)c1=O 4386358 CJKZWSBXMSLZQF-UHFFFAOYSA-N 339.399 1.685 0 40 EDAB COc1cc(C)c(CN2CCN(c3cc(N)nc(N)n3)CC2)cc1C 65394258 KWMICKQVSXFRHR-UHFFFAOYSA-N 342.447 1.589 0 40 EDAB CC(=O)N1C[C@H](C(=O)N[C@H]2CCc3nccn3C2)Oc2ccccc21 65474101 IUELXAWTSQTHKD-XJKSGUPXSA-N 340.383 1.128 0 40 EDAB NC(=O)NC1CCN(C(=O)c2ccc(Br)cc2F)CC1 72306319 PZMDDMWBCBNADW-UHFFFAOYSA-N 344.184 1.861 0 40 EDAB CC1CCN(Cc2csc(NC(=O)[C@@H]3CCC(=O)NC3)n2)CC1 65609251 NYRDVKYFGQXVNC-GFCCVEGCSA-N 336.461 1.840 0 40 EDAB O=C(Cn1nnn(-c2ccccc2)c1=O)N1CCc2ccccc2C1 14122524 WGTFGVIMRSNWTN-UHFFFAOYSA-N 335.367 1.014 0 40 EDAB CN(Cc1c(F)cccc1Cl)CN1C(=O)C(=O)N(C2CC2)C1=O 14183907 DQCUXVLWRQITOH-UHFFFAOYSA-N 339.754 1.822 0 40 EDAB CC/C(NC[C@H]1CCCO1)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 6419628 NCJCQBCGSLPJKQ-FARYLTDUSA-N 349.431 1.830 0 40 EDAB C[C@@H]1CN(C(=O)COC(=O)c2ccc3nccnc3c2)C[C@@H](C)O1 5422167 QTUBWRPYHSYAGY-VXGBXAGGSA-N 329.356 1.422 0 40 EDAB COC(=O)[C@H](C)[C@H](Sc1cc(NC(C)=O)ccc1N)C(=O)OC 4661245 ARLQEZDUAYYFOW-OQPBUACISA-N 340.401 1.670 0 40 EDAB CC[C@H](C)N(C)CCNC(=O)c1ccc(S(=O)(=O)NC)cc1 66127092 LOXNQEOHCVEFBC-LBPRGKRZSA-N 327.450 1.055 0 40 EDAB Cc1nnc(NC(=O)CCS(=O)(=O)Cc2ccccc2)s1 4731550 OHIZGOVMCWKUQG-UHFFFAOYSA-N 325.415 1.790 0 40 EDAB CCOC(=O)c1ccc2[nH]c(C)c(CN3CCOCC3)c(=O)c2c1 19792064 IPIDDCMAVLJQEG-UHFFFAOYSA-N 330.384 1.845 0 40 EDAB Cc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)on1 6852442 HCVASLVUOMRNAM-UHFFFAOYSA-N 332.312 1.940 0 40 EDAB Cc1ccccc1-c1nnn(CC(=O)Nc2c(C)nn(C)c2C)n1 6842560 FOVCKLGESRARFT-UHFFFAOYSA-N 325.376 1.638 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)NN1C(=O)NC2(CCCCC2)C1=O 6993035 UHNHRNFMXPDOJB-UHFFFAOYSA-N 340.383 1.996 0 40 EDAB COc1ccccc1C(=O)NCCCNC(=O)c1ccc(C)nc1 4985628 MLWPOYTUTQHGOY-UHFFFAOYSA-N 327.384 1.949 0 40 EDAB CN1CCN(c2ncc3c(n2)C[C@@H](c2ccccc2O)CC3=O)CC1 4988716 LDSYPMOQSVSRHU-CYBMUJFWSA-N 338.411 1.847 0 40 EDAB COc1cccc2c1OC[C@H](NC(=O)N1CCC(NC(C)=O)CC1)C2 71796327 YBVLNWRUPCALCG-OAHLLOKOSA-N 347.415 1.309 0 40 EDAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1ccc(Br)cc1 7327422 UTBKOFPRUFLJQM-UHFFFAOYSA-N 338.161 1.328 0 40 EDAB Cn1[nH]c(=O)c2c(C(=O)Nc3ccnc4ccnn34)cc(C3CC3)nc21 96412493 AQHWBXZTLAHITN-UHFFFAOYSA-N 349.354 1.434 0 40 EDAB C[C@@H](C(=O)N1CCN([C@H](C)C(N)=O)CC1)c1cc2ccccc2o1 96451304 VNSPRQYJXFKMCW-CHWSQXEVSA-N 329.400 1.554 0 40 EDAB Cc1cc(=O)n2nc(Cn3nnc(-c4ccccc4)n3)sc2n1 7586564 ACMGNLRIXGDSTE-UHFFFAOYSA-N 325.357 1.161 0 40 EDAB CC1CCC(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 7605816 OVKHLPYPMSHCBX-UHFFFAOYSA-N 336.413 1.526 0 40 EDAB COC(=O)c1sc2nc(C)nc(N3CCN(C(C)=O)CC3)c2c1C 7778555 RTSBXJBGRVQENW-UHFFFAOYSA-N 348.428 1.763 0 40 EDAB CC(=O)Nc1nc(CN(C)C[C@@H]2CCCN2c2cccnn2)cs1 71859945 RCOZYTHHFJPCET-AWEZNQCLSA-N 346.460 1.992 0 40 EDAB Cc1ncc2c(n1)CN(C[C@H](O)COc1ccc3c(c1)OCO3)CC2 71859681 LGHLEGSYWZQIBH-AWEZNQCLSA-N 343.383 1.312 0 40 EDAB Cn1c(CCNC(=O)c2cncc(Br)c2)n[nH]c1=S 71847019 UBCWXQCUFYEOLB-UHFFFAOYSA-N 342.222 1.608 0 40 EDAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1CCN(CC2CC2)C1 81689297 GSZWELBMWKELBB-ZDUSSCGKSA-N 332.448 1.590 0 40 EDAB NC(=O)c1cnc(NC2CCN(c3ncccn3)CC2)c(Cl)c1 69161066 YOJDSWFDINFNDR-UHFFFAOYSA-N 332.795 1.705 0 40 EDAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2nc3nccc(C)n3n2)c1 71865824 FAXOKJIRFROEJK-AWEZNQCLSA-N 339.403 1.633 0 40 EDAB Cc1cnn(C2CN(C/C=C/CN3CC(n4cc(C)cn4)C3)C2)c1 70040880 MRYXNDOSRRZFPT-ONEGZZNKSA-N 326.448 1.666 0 40 EDAB COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)CSC)cc1 70038332 GGGTUFAPCSBBTN-UHFFFAOYSA-N 334.401 1.650 0 40 EDAB CCn1nc(C)c(CN[C@H]2CCCN(Cc3noc(C)n3)C2)c1C 71877261 CCLJUSTXVMXGTH-HNNXBMFYSA-N 332.452 1.965 0 40 EDAB CCc1nnc2n1CCN(C(=O)C[C@H](NC(C)=O)c1cccs1)C2 69489254 HULZZBOKEYZBBQ-LBPRGKRZSA-N 347.444 1.512 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N1CCC[C@H]1CN1CCCC1 69441421 ATEMIUBSDAALSJ-AWEZNQCLSA-N 328.478 1.431 0 40 EDAB C[C@@H](NC(=O)c1ccccc1OC1CCC1)C(=O)N1CCOCC1 71911013 HFMZFDOZXPQPNW-CYBMUJFWSA-N 332.400 1.595 0 40 EDAB CN1C[C@H](C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)CC1=O 69533159 QSUZTXBZGAYASH-GFCCVEGCSA-N 336.819 1.940 0 40 EDAB CCC(=O)N[C@H]1CCCN(C(=O)Cc2cn3cccc(C)c3n2)C1 69513588 CHRHYAHOQYXMFP-AWEZNQCLSA-N 328.416 1.702 0 40 EDAB CN(C)c1ccc(CNC(=O)NCCc2nccn2C(F)F)cn1 69774412 PWYUYYCTGBVWOI-UHFFFAOYSA-N 338.362 1.781 0 40 EDAB Cc1noc([C@@H](C)NC(=O)NCCS(=O)(=O)c2ccccc2)n1 69778150 JEAMDJUGCWVWQT-SNVBAGLBSA-N 338.389 1.212 0 40 EDAB CC(C)Sc1ccc([C@H](C)NC(=O)C[C@@H]2NC(=O)NC2=O)cc1 69772630 VWRITZLZJPPGJX-GWCFXTLKSA-N 335.429 1.962 0 40 EDAB CCOCCN1CCN(CC(=O)N(C)c2nccs2)C[C@@H]1C 69819892 UZWUUULMXDTJKN-ZDUSSCGKSA-N 326.466 1.149 0 40 EDAB CC[C@H]1CN([C@@H](C)C(=O)N2CCCCCC2)CCN1CCOC 69875976 LPAFSSDLWUQCTK-IRXDYDNUSA-N 325.497 1.820 0 40 EDAB NC(=O)N1CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)CC1 69902639 MYKLSVYKCFBKSX-UHFFFAOYSA-N 345.321 1.697 0 40 EDAB C[C@H]1COC[C@H](C)N1CC(=O)Nc1ccccc1SCC(N)=O 72293994 GRPXGWPGZNZYEN-RYUDHWBXSA-N 337.445 1.312 0 40 EDAB CCCS(=O)(=O)N1CCCN(C(=O)c2cccc(N)c2)CC1 95944667 IJLMELUZEUGBLX-UHFFFAOYSA-N 325.434 1.157 0 40 EDAB Cc1cc(C)c(CNC(=O)NCc2cn3ccccc3n2)c(=O)[nH]1 75111078 SAECSUSPSMUFLB-UHFFFAOYSA-N 325.372 1.639 0 40 EDAB O=C(Nc1ccn(Cc2ccccn2)n1)[C@@H]1CCCN1C(=O)C1CC1 89883785 FDRVYJPZXSHCHL-HNNXBMFYSA-N 339.399 1.666 0 40 EDAB Cc1cnc(C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)cn1 75444365 RODIRDVTLKAUPG-UHFFFAOYSA-N 331.397 1.782 0 40 EDAB CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCc2c[nH]cn2)cc1 76041995 PGLUWACEWURUFD-UHFFFAOYSA-N 336.417 1.369 0 40 EDAB Cc1cc(N2CCC[C@@H](c3ncncc3S(C)(=O)=O)C2)ncn1 72368982 NTDKUXZLEFRGRH-GFCCVEGCSA-N 333.417 1.363 0 40 EDAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(O)nn3)nc21 38488744 XYMNPLCXJLBJGU-SSDOTTSWSA-N 334.357 1.484 0 40 EDAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc2c(c1)OCO2 78986980 NHORTNDCCOOKMH-SECBINFHSA-N 330.262 1.308 0 40 EDAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NCCCO)c(C(=O)O)c1 217657869 BEQXDXACNULEJI-LLVKDONJSA-N 344.433 1.646 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)[C@H]2N)cc1 218173817 YCKAMNPVQMGNAF-BBWFWOEESA-N 331.393 1.991 0 40 EDAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 32124050 VSPGSFSGLYHUES-IINYFYTJSA-N 329.360 1.023 0 40 EDAB biogenic CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccncc1 71980362 ARLLZWYJGYQFEB-CQSZACIVSA-N 333.388 1.209 0 40 EDAB C[C@@H](c1cnccn1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 184404208 QMLGZEBKOTYQBG-HNNXBMFYSA-N 346.456 1.685 0 40 EDAB O=C(CNC(=O)c1ccccc1)NC[C@@H](O)c1c(F)cccc1F 77634644 GJFVMCBLCOXGRT-CQSZACIVSA-N 334.322 1.544 0 40 EDAB CCO[C@H]1C[C@](NC(=O)c2n[nH]c3ccccc23)(C(=O)O)C1(C)C 193025202 RGDHENLWKSZVGH-SJCJKPOMSA-N 331.372 1.951 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)NC1CCN(C2CC2)CC1 1579291746 PNXAXDGITBBCSB-IBGZPJMESA-N 329.444 1.538 0 40 EDAB NC(=O)[C@H]1CCN(Cc2cc3c(cc2Br)OCCO3)C1 48034538 CVWFPDPAXKECSM-VIFPVBQESA-N 341.205 1.528 0 40 EDAB COC[C@@]1(C(=O)NCc2cccc(-c3ccccn3)c2)CCNC1 573793435 QGOLBZOQMLQFIM-LJQANCHMSA-N 325.412 1.991 0 40 EDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)s1 223571395 ZMOJCXDXULTEBR-OPRDCNLKSA-N 344.462 1.600 0 40 EDAB O=C(Cn1ncccc1=O)NCc1ccc(Oc2nccs2)cc1 225647678 VBOCHMKYRWAMRD-UHFFFAOYSA-N 342.380 1.809 0 40 EDAB O=C(c1ccc(-n2ccnn2)cc1)N1CCN[C@H](Cc2ccccc2)C1 1586883020 GNNHSXQPVPTWBG-GOSISDBHSA-N 347.422 1.924 0 40 EDAB CCNC(=O)[C@@H]1CCCN(C(=O)c2cccn2C2CCNCC2)C1 195543359 MIWLWVSDPZCFOE-CQSZACIVSA-N 332.448 1.401 0 40 EDAB Cc1noc([C@@H]2CCO[C@@H]3CCN(C(=O)c4cccnc4)C[C@@H]32)n1 96066369 XTRCHAIMPVRKPS-RBSFLKMASA-N 328.372 1.808 0 40 EDAB O=C(NC1CC1)N1CCC[C@@]2(COCCN(c3ncc(F)cn3)C2)C1 96229215 RTUNEZVKULJZAG-KRWDZBQOSA-N 349.410 1.407 0 40 EDAB Cc1nc(CN2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)cs1 96065258 VJHGZEWUABASQD-YUELXQCFSA-N 337.445 1.310 0 40 EDAB NS(=O)(=O)c1ccc(N2CCN(CCC(F)(F)F)CC2)cc1 96419556 KUXKMJHLQGKING-UHFFFAOYSA-N 337.367 1.408 0 40 EDAB CN(C)CCN1CC[C@@]2(CCCN(C(=O)c3cccn3C)C2)C1=O 96073955 DRZLPELBPRABQT-GOSISDBHSA-N 332.448 1.041 0 40 EDAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCc2n[nH]c(=O)cc2C1 238882689 PNUDUWZQYDNLFI-GXFFZTMASA-N 347.802 1.864 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N[C@@H]3CCCN(C)C3)CC2=O)cc1 96403178 PUQCVZAMEABGNX-HZPDHXFCSA-N 345.443 1.254 0 40 EDAB O=C(CNc1ccc(F)c(F)c1F)N1CCC2(CC1)OCCO2 90371237 KYDOYCPVPMQJDS-UHFFFAOYSA-N 330.306 1.881 0 40 EDAB C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H]1C(N)=O 96426396 NVMIUMBSOITEQS-BXKDBHETSA-N 341.205 1.693 0 40 EDAB CN(C)C(=O)COC[C@H]1c2c(ncn2C)CCN1Cc1cccs1 96187714 CLFBKCAQOVQKBR-HNNXBMFYSA-N 348.472 1.686 0 40 EDAB Cn1cc(CN2CCc3ncc(CN4CCCCC4)n3CC2)cn1 96196881 YEQDFOQPTNKBTB-UHFFFAOYSA-N 328.464 1.661 0 40 EDAB O=C(COc1ccccc1)N1CCOC[C@H](Oc2cccnc2)C1 96113195 MBFBQJKLYHYUNV-QGZVFWFLSA-N 328.368 1.767 0 40 EDAB biogenic,in-vitro O=C(c1cnccn1)N1CC[C@@H]2CN(CC3CCOCC3)C[C@@H]2C1 96054162 OVJBIVCITKDUTK-HZPDHXFCSA-N 330.432 1.297 0 40 EDAB CS(=O)(=O)c1nccn1C[C@@H](O)Cc1ccccc1C(F)(F)F 95438713 PMMLEKJHOINFCZ-NSHDSACASA-N 348.346 1.909 0 40 EDAB CCn1cnnc1[C@@H]1CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CCO1 583614994 KJDWCCPTPYYNRE-PMPSAXMXSA-N 341.415 1.937 0 40 EDAB CO[C@H]1C[C@H](CN(C)Cc2cnn(C)c2)N(C(=O)OC(C)(C)C)C1 583651476 NMMVTOIBEDAQJA-CABCVRRESA-N 338.452 1.876 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN1Cc1cccc(Br)c1 96483335 GUKZYHABVUWYLJ-GFCCVEGCSA-N 333.251 1.702 0 40 EDAB Cc1ccoc1C(=O)N1CCC[C@@]2(CCCN2S(C)(=O)=O)C1 96214939 JSTNPEFTSZDVSC-OAHLLOKOSA-N 326.418 1.618 0 40 EDAB CCOCC(=O)N1CC[C@@H](OC)[C@H]2CN(Cc3ccncc3)C[C@H]21 96108595 XRHRLXHICTVWPU-GVDBMIGSSA-N 333.432 1.166 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2nccs2)Cc2nccn2C1 96059127 HKZXSUCIZRJZQO-ZDUSSCGKSA-N 349.460 1.076 0 40 EDAB Cn1ccnc1CN1CC[C@@H](NS(C)(=O)=O)[C@@H]1Cc1ccccc1 96200820 DOZVTRFVCQQIOK-CVEARBPZSA-N 348.472 1.155 0 40 EDAB CN1CC[C@@H](C(=O)Nc2ccc3nc(Cl)sc3c2)S1(=O)=O 585089668 ZMYMOTCVXBVEIQ-JTQLQIEISA-N 345.833 1.922 0 40 EDAB O=C(CCN1CCC[C@H](CN2CC[C@H](O)C2)C1)Nc1cccc(F)c1 585133433 HZXAFGCPRXTORZ-YJBOKZPZSA-N 349.450 1.933 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)c1cncc2nc(C(F)(F)F)[nH]c12 585120910 VVQQVQIESICRSL-UHFFFAOYSA-N 341.293 1.327 0 40 EDAB CCCCN(C)c1ccc(C(=O)N[C@H](CO)c2nncn2C)cc1 585127639 GDAXYTCMFFRZEG-OAHLLOKOSA-N 331.420 1.515 0 40 EDAB Cc1nc(C)c(CC(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)s1 257328598 XGJGSQSJLLENIU-HUUCEWRRSA-N 332.425 1.953 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2coc(C)n2)n1 257221456 DPCKUFJYNYFCDI-HNNXBMFYSA-N 329.360 1.386 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1 257273142 NFKYKXLSSVERBT-ZDUSSCGKSA-N 341.433 1.526 0 40 EDAB NCc1cncc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 257275342 NOYCBVVLNZKLFK-HNNXBMFYSA-N 336.392 1.600 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)Cn2cc(C)cn2)CCN1C 257233210 GOGOCQYBTYKURK-INIZCTEOSA-N 328.416 1.715 0 40 EDAB O=C1CO[C@H]2CN(CCCc3ccccc3)C[C@@H]2N1C1CCOCC1 257227459 FPKCINSOCXOXAJ-OALUTQOASA-N 344.455 1.710 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccc(Cl)cn1 257318076 VMKIALXFWLURFW-INIZCTEOSA-N 331.807 1.762 0 40 EDAB Cn1c(=O)oc2ccc(C(=O)N3CCO[C@@H](c4ccncc4)C3)cc21 257236084 HASCEGNFQCGTIU-MRXNPFEDSA-N 339.351 1.740 0 40 EDAB O=C(C1CCNCC1)N(c1ccccc1)[C@H]1COC2(CCNCC2)C1 257281026 ONIXJHHSXBPCBT-GOSISDBHSA-N 343.471 1.930 0 40 EDAB COCc1c(C(=O)N(C)[C@@H]2CCCC[C@@H](OC)[C@@H]2O)noc1C 257272050 NAWXXFUXMCAPDI-UMVBOHGHSA-N 326.393 1.520 0 40 EDAB O=C(/C=C/c1ccncc1)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 257205156 AXWPMOBCXACQOR-RIVGAVQESA-N 337.370 1.398 0 40 EDAB C[C@H](Oc1ccccc1F)C(=O)NCc1nnc2c(O)nccn12 253407561 WPCVUAYBWRSYQM-VIFPVBQESA-N 331.307 1.053 0 40 EDAB CCOc1cc(C(=O)N2CCCO[C@H](C)C2)ccc1OCC(=O)O 263550017 VYIWQKXKBHLSLW-GFCCVEGCSA-N 337.372 1.800 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)C[C@@H]1CCCCC1(F)F 450989212 DEBYAQBVGWBXGA-NSHDSACASA-N 326.409 1.600 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2)C1=O 21559240 KBEQOGNQTKKORK-LRDDRELGSA-N 338.791 1.800 0 40 EDAB CCc1nc(CCNC(=O)[C@@H]2CCc3nc(C)nn3C2)sc1C 1615041974 YTLQAFXREQTKEV-GFCCVEGCSA-N 333.461 1.835 0 40 EDAB O=C(CNC(=O)c1ccccc1F)N[C@@H]1COc2ccc(F)cc2C1 1615580486 IKGLXLKCCGEUAX-ZDUSSCGKSA-N 346.333 1.815 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)N3CC[C@@H]4[C@H]3CCCN4C)cc12 1615572407 SQTJUPXKMMGLHJ-HUUCEWRRSA-N 328.420 1.977 0 40 EDAB CC(C)Oc1ccccc1Cn1nnnc1N(C)C[C@@H]1COCCO1 1616033037 JHTHOQUDSRLLHQ-OAHLLOKOSA-N 347.419 1.360 0 40 EDAB O=C(NCCOCCN1C(=O)CCC1=O)c1c(F)cccc1Cl 575606897 VRSSBISRFANZQG-UHFFFAOYSA-N 342.754 1.375 0 40 EDAB COCc1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)[C@H](C)C2 585098755 ZFIMTEKIWPJMIL-GFCCVEGCSA-N 332.379 1.580 0 40 EDAB CCS(=O)(=O)NCC[C@H]1CN(Cc2cccnc2)Cc2ccnn21 585112811 WSJZOLFRBSSNRO-INIZCTEOSA-N 349.460 1.164 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)C2(c3ccccn3)CC2)C1 585140634 ICHUFHREUIHPCB-OAHLLOKOSA-N 327.428 1.878 0 40 EDAB Cc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@H]1CN(C)C 585096700 ASDRFSCWLGDQGU-INIZCTEOSA-N 342.443 1.933 0 40 EDAB COc1ccc(N2C[C@H](C(=O)NCC(F)(F)F)CC2=O)cc1OC 28996356 VIHGSSZGXPADKP-SECBINFHSA-N 346.305 1.735 0 40 EDAB O=C(CCNC(=O)[C@@H]1Cc2ccccc2O1)NCc1ccncc1 69528135 XDUOGGBVUAUGBE-INIZCTEOSA-N 325.368 1.208 0 40 EDAB CC(C)Oc1ccc(CNC(=O)c2n[nH]c(=O)[nH]2)c(C(F)(F)F)c1 69699671 NMVINCZMXFCXOY-UHFFFAOYSA-N 344.293 1.834 0 40 EDAB O=C(c1ccc2nncn2c1)N1CCCN(Cc2cscn2)CC1 72301209 IAJDTTXAXJCPJB-UHFFFAOYSA-N 342.428 1.534 0 40 EDAB Cc1sc2ncn(CCC(=O)N3CCOC[C@@H]3C)c(=O)c2c1C 44912345 YKZXOCAUEMDQSF-JTQLQIEISA-N 335.429 1.712 0 40 EDAB COc1ncccc1C(=O)N1CC(Cn2nc(C3CC3)ccc2=O)C1 1775986055 RMHWWDKXPDKEPU-UHFFFAOYSA-N 340.383 1.297 0 40 EDAB N[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 37574305 DBJKBKXFKMKWTO-VIFPVBQESA-N 337.214 1.700 0 40 EDAB CN(CC(=O)NCCOc1ccc(F)cc1)c1ncnc2[nH]cnc12 56872455 FSWFIDGJOOHSOP-UHFFFAOYSA-N 344.350 1.123 0 40 EDAB O=C(NCCN1CCCCC1)C1CCN(C(=O)N2CCCC2)CC1 60522748 ZQZOKURWOFECAF-UHFFFAOYSA-N 336.480 1.516 0 40 EDAB COc1ccc(Br)cc1NC(=O)NCC[S@@](C)=O 76069368 LXFHMOMCFRCPMY-SFHVURJKSA-N 335.223 1.958 0 40 EDAB Cn1nc(C2CC2)nc1CN1CCCNC(=O)[C@H]1Cc1ccccc1 579586739 HWYSAOSFAKBGRO-MRXNPFEDSA-N 339.443 1.626 0 40 EDAB O=C1OCCN1CCn1nc(Br)nc1Br 96450974 CKBUAOVMDJAVKA-UHFFFAOYSA-N 339.975 1.255 0 40 EDAB COC(=O)c1ccccc1C(=O)N1CC[C@@H](Oc2cccnn2)C1 220242411 DJBFPKJSCBULNU-GFCCVEGCSA-N 327.340 1.557 0 40 EDAB CC[C@@H]1CN(C(=O)COC)[C@H](CO)[C@@H]1CN1CCC(F)(F)CC1 1772594847 ANYSZPJDDFEQPU-MGPQQGTHSA-N 334.407 1.209 0 40 EDAB C[C@@H]1CN(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)C[C@@H](C)O1 5253922 CISXOWNNDCDLKR-GHMZBOCLSA-N 335.791 1.686 0 40 EDAB Cc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3CCCO3)n2)c(C)c1 5401344 MGNIHZSYAWYZJT-HNNXBMFYSA-N 341.411 1.822 0 40 EDAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C23CCN(CC2)CC(=O)N13 12113109 ZQWCAUFEGODXDF-AWEZNQCLSA-N 325.368 1.311 0 40 EDAB C[C@@H](Cn1nnc2ccccc21)NC(=O)Cn1nnc2ccccc21 12145037 YGVDRHUEMUGLFJ-LBPRGKRZSA-N 335.371 1.381 0 40 EDAB Cc1nc2cc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)nn2c(O)c1C 12336963 RATGQTREFDNIBI-UONOGXRCSA-N 330.388 1.894 0 40 EDAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1 14817805 QWDAHLYECMPDHC-UHFFFAOYSA-N 338.429 1.836 0 40 EDAB CN1C(=O)N(C)C2(CCN(C(=O)c3ccccc3Cl)CC2)C1=O 16849916 LJIIHQRXUXWDBZ-UHFFFAOYSA-N 335.791 1.839 0 40 EDAB COc1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 19936356 CTCRJFXZBHVXGQ-UHFFFAOYSA-N 334.353 1.608 0 40 EDAB COc1ccc(CNC(=O)N2CC[C@@H](n3ccnn3)C2)cc1OC 206933354 UJWNAQKKDLQUIU-CYBMUJFWSA-N 331.376 1.452 0 40 EDAB CCOC(=O)/C(C1=NC(=O)[C@@H](C)S1)=C1/NN=C(c2ccccc2)O1 6438873 FIVIHEMKAKXEBQ-CSCQJOBLSA-N 345.380 1.803 0 40 EDAB COCCCNS(=O)(=O)c1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2 101079070 PBMFKUSIJHXOBV-LLVKDONJSA-N 338.429 1.398 0 40 EDAB O=C(c1cocn1)N1C[C@@H](O)[C@@]2(C[C@@H](c3cccc(F)c3)CO2)C1 643585980 KLWBLUGFXLZKKC-SRCQZFHVSA-N 332.331 1.573 0 40 EDAB CC(=O)N1C[C@H](c2ccc(CN(C)C)cc2)[C@@H](C(=O)N2CCCC2)C1 19699207 JKCWKZFWOFNPCD-MOPGFXCFSA-N 343.471 1.933 0 40 EDAB CC[C@@](C)(O)CNC(=O)c1cnn2c(-c3cccnc3)ccnc12 585132177 QEABAAURNOCRQF-QGZVFWFLSA-N 325.372 1.682 0 40 EDAB Cc1cn2nncc2c(=O)n1C[C@H]1CC(=O)N(Cc2ccccc2)C1 1888956271 ACXLDDSBWUCCHB-HNNXBMFYSA-N 337.383 1.248 0 40 EDAB CSc1nc(C)cc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)n1 1889108973 XDYMJLNFRNNSCH-LLVKDONJSA-N 342.490 1.558 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC2(CC1)CN(Cc1cccnc1)CCO2 949308054 UBDDVBPYWKCHIG-QGZVFWFLSA-N 345.443 1.312 0 40 EDAB C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CN1)c1cccs1 32699466 YBLYIZATACFUTA-NSHDSACASA-N 328.397 1.875 0 40 EDAB Cc1nccnc1N1CCO[C@H](C(=O)N2CCC(F)(F)CC2)C1 2087126123 NIDGEXNXBDSWNT-LBPRGKRZSA-N 326.347 1.248 0 40 EDAB COc1cnccc1C(=O)N1C[C@H]2Cc3nc(N(C)C)ncc3[C@H]2C1 1565551731 JXHAERMSBSCEBP-RISCZKNCSA-N 339.399 1.358 0 40 EDAB CCCc1nnsc1C(=O)N1CC[C@@H](Oc2ccc(C)nn2)C1 225425826 XSYPCBJVOOCPMX-LLVKDONJSA-N 333.417 1.883 0 40 EDAB O=C(c1ccncc1)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225780774 CYFVJGRAGYPMMR-UHFFFAOYSA-N 340.770 1.941 0 40 EDAB O=C(C1CN(Cc2ccc(Br)cc2)C1)N1CCOCC1 2298051558 NXPCNBBPIIJOMQ-UHFFFAOYSA-N 339.233 1.740 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N(C)Cc3cnn(C)c3)CC2=O)cc1 30765360 PBESROBVCXYHQR-CQSZACIVSA-N 342.399 1.440 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2)CCO1 50857176 IMBKKGCISYITCK-INIZCTEOSA-N 326.352 1.805 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCC(c2c[nH]c3ccccc23)CC1 40488262 GCSWYBKGMOBOPP-UHFFFAOYSA-N 349.456 1.924 0 40 EDAB C[C@@H]1CCCCN1C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 40548793 HHXNIECJCIINOM-IUODEOHRSA-N 338.429 1.615 0 40 EDAB O=C([C@H]1CCCO1)N1CCN(Cc2cnn(-c3ccccc3)n2)CC1 40540119 ZGRVCRCVVAREPA-QGZVFWFLSA-N 341.415 1.091 0 40 EDAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@H]1CCCO1 40540112 IGHDNFMKSHZFEE-CABCVRRESA-N 333.367 1.200 0 40 EDAB Cc1nc(C)c(CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)s1 101271101 WQAMBAVGGSDPKQ-UHFFFAOYSA-N 337.430 1.326 0 40 EDAB NC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102916154 HLONVBNJKSBWDP-OKILXGFUSA-N 343.383 1.289 0 40 EDAB CNC(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1C 103176522 NWBPTDFNLBOFRH-GVARAGBVSA-N 328.368 1.816 0 40 EDAB COc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1 415250 NWXCZKAEGMEEDC-UHFFFAOYSA-N 345.384 1.672 0 40 EDAB Cc1cccnc1NC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 43160379 DOCGFGMJBTWMJA-NSHDSACASA-N 334.401 1.920 0 40 EDAB CC(C)(C)NC(=O)CN1CCCN(C(=O)Cc2ccc(F)cc2)CC1 55195938 XEEWHJLSEKDKHR-UHFFFAOYSA-N 349.450 1.817 0 40 EDAB C[C@]1(c2ccccn2)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O 78471797 PZTKZXLMOJSLPG-GOSISDBHSA-N 348.366 1.630 0 40 EDAB C[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C1 2649504 RYULIHBOBOHRPZ-ZDUSSCGKSA-N 339.461 1.607 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)CC1 106580768 XWSVJRXMIKXYCU-AEGPPILISA-N 328.478 1.601 0 40 EDAB Cc1cccc(-c2noc(CN3CCN(C[C@@H](C)O)[C@@H](C)C3)n2)c1 106868140 WWNOZLYBKSAITL-LSDHHAIUSA-N 330.432 1.932 0 40 EDAB CCOC(=O)N1CCN(CC(=O)NCc2ccccc2Cl)CC1 34896567 KLFYVPCRXQHIBF-UHFFFAOYSA-N 339.823 1.730 0 40 EDAB CN(CC(=O)N[C@H]1CCc2cc(F)ccc21)c1ncnc2[nH]cnc12 56315115 RMOYVJBVTIWAGZ-ZDUSSCGKSA-N 340.362 1.732 0 40 EDAB CCn1cnnc1SCC(=O)Nc1cc(NC(C)=O)ccc1OC 7995121 LKFFLCXHDNCCHO-UHFFFAOYSA-N 349.416 1.996 0 40 EDAB Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)c1ccoc1 57008925 YDILZDAOMWEQSZ-UHFFFAOYSA-N 342.804 1.950 0 40 EDAB C[C@@H](NC(=O)CN1CCOC[C@]1(C)CO)c1ccccc1Cl 108176940 WINCAXBOIGAIAV-WBMJQRKESA-N 326.824 1.600 0 40 EDAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@H](O)Cc2ccccc2)C1 95432987 DJRXVQZLXGKHNL-IIAWOOMASA-N 326.462 1.402 0 40 EDAB Cc1nc(NC(=O)[C@H](C)N2CCC3(CC2)OCCO3)sc1C 26935954 YHXSPWKUKCJDJX-NSHDSACASA-N 325.434 1.926 0 40 EDAB COC(=O)c1ccc(Cn2nnn(-c3ccccc3Cl)c2=O)cc1 10198276 JHQIYSGUQIMTSW-UHFFFAOYSA-N 344.758 1.917 0 40 EDAB COc1ccnc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 95413932 CFNFOSKWKACSLW-HZPDHXFCSA-N 326.400 1.575 0 40 EDAB CCN(CC)S(=O)(=O)NC[C@H]1CCN(c2ccccc2OC)C1 58290757 HZKXCGKMSFZTLL-CQSZACIVSA-N 341.477 1.698 0 40 EDAB Cc1ccc(NC(=O)COCC(=O)N2CCOCC2)cc1Cl 9095100 VFWJSGCAGMAXBH-UHFFFAOYSA-N 326.780 1.462 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)NCc1nncn1-c1ccccc1 44939768 KLTZCDATNKIEBT-SNVBAGLBSA-N 328.294 1.851 0 40 EDAB O=C(Cc1nnc(S)n1Cc1ccccc1)NCc1ccncc1 9753224 SVPWURFWKJWGLI-UHFFFAOYSA-N 339.424 1.869 0 40 EDAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc2c1OCCO2 56044410 RTAAIMZJQUECMK-ZDUSSCGKSA-N 334.397 1.814 0 40 EDAB Cc1nn(C)c2cnn(CCCNC(=O)COc3ccccc3F)c12 57279038 DMRSMIGBTDLAEY-UHFFFAOYSA-N 345.378 1.803 0 40 EDAB Cc1ccc(N2C(=O)C[C@H](N3CCC4(CC3)OCCO4)C2=O)c(C)c1 104346141 NOEWBCVODVAOOO-INIZCTEOSA-N 344.411 1.774 0 40 EDAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)NC[C@@H]1CCS(=O)(=O)C1 89621541 YUWSKWVCJYPMGW-STQMWFEESA-N 342.465 1.032 0 40 EDAB Cc1csc(Nc2ccc(NC(=O)CNS(C)(=O)=O)cc2)n1 89705774 FJKYZDVULZOHIB-UHFFFAOYSA-N 340.430 1.683 0 40 EDAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2n[nH]c3ccccc23)C1=O 10805648 HIXHLUQNCAWVMT-SFHVURJKSA-N 349.350 1.675 0 40 EDAB CN(CC(=O)NC[C@H]1CCCO1)Cc1cc(Br)cn1C 89755050 DJSPSKFWXRNDSB-CYBMUJFWSA-N 344.253 1.515 0 40 EDAB CC(=O)NCC1CCN(C(=O)CN2CCc3sccc3C2)CC1 58853775 CSYPXSDYKVYHQI-UHFFFAOYSA-N 335.473 1.481 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1 11566122 INYIJWIFHANLHZ-UHFFFAOYSA-N 330.837 1.810 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 29694149 UIUAZLQPOJBUBB-OAHLLOKOSA-N 343.471 1.776 0 40 EDAB CC(C)CN1C[C@H](C(=O)Nc2ccc(-n3ccnc3)nc2)CC1=O 29902200 FZLODDBEFGCVSU-CYBMUJFWSA-N 327.388 1.710 0 40 EDAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCC(C(=O)O)CC2)c1 2637902 NNVYUDKCZBEJRX-UHFFFAOYSA-N 347.776 1.524 0 40 EDAB Cc1cnn(CC(=O)N(C[C@@H]2CN(C)CCO2)c2nccs2)c1 95402127 GUJKKRLRPCZUQQ-ZDUSSCGKSA-N 335.433 1.012 0 40 EDAB COC(=O)C1(NC(=O)CCNC(=O)C2CCCC2)CCC(C)CC1 46822878 TWSXHPYHBFMRHE-UHFFFAOYSA-N 338.448 1.921 0 40 EDAB Cc1noc(C)c1CN(C)C(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 47010335 DUAJHEBREBZVGJ-UPJWGTAASA-N 338.452 1.931 0 40 EDAB O=C(CSc1ncc2ccccn12)N1CCN(C(=O)C2CC2)CC1 48367031 AADODMWIAURVJI-UHFFFAOYSA-N 344.440 1.507 0 40 EDAB Cn1c(SCn2nnc3ccccc3c2=O)nnc1C(F)(F)F 3432507 PUGMDTSXBUHQCC-UHFFFAOYSA-N 342.306 1.689 0 40 EDAB O=C(OCn1nnc2ccccc2c1=O)[C@H]1COc2ccccc2O1 3497961 RKCLCGIAMGMJGA-OAHLLOKOSA-N 339.307 1.132 0 40 EDAB CN(c1ccc(OCC(=O)NCc2ccncc2)cc1)S(C)(=O)=O 22230474 ARPBRBGTPODVHA-UHFFFAOYSA-N 349.412 1.173 0 40 EDAB Cc1cc(C)c([C@H](C)NC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1C 9254357 QHOXEWXWUGZNBW-LBPRGKRZSA-N 331.372 1.210 0 40 EDAB COCCn1c(-c2ccsc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 6364633 RNBLOXRFPHDPRD-UHFFFAOYSA-N 348.428 1.917 0 40 EDAB CN(C)C(=O)N1CCN(C(=O)NCc2ccc(F)c(Cl)c2)CC1 65517063 HAEOVNKCSMJJNW-UHFFFAOYSA-N 342.802 1.988 0 40 EDAB CN(CC(=O)NCc1cccc2c1OCCO2)C(=O)c1cccs1 65548204 SXAFBIJTNFOIIO-UHFFFAOYSA-N 346.408 1.908 0 40 EDAB O=C(NCc1ccccn1)c1cccc(N2CCCCS2(=O)=O)c1 5381163 QMBPJGVKNRYWAC-UHFFFAOYSA-N 345.424 1.942 0 40 EDAB Cc1c(CC(=O)NC[C@H]2CCCO2)c(=O)oc2cc(O)cc(O)c12 5350610 MIUQJYJMHSBYSV-LLVKDONJSA-N 333.340 1.350 0 40 EDAB CN1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1c1cccs1)C2=O 14137848 MJGNGDBLRJULDY-ZDUSSCGKSA-N 348.472 1.859 0 40 EDAB O=C(OCc1cc(=O)n2ccccc2n1)c1ccc(-n2cncn2)cc1 14755745 OPYKSHHPKUSTOW-UHFFFAOYSA-N 347.334 1.632 0 40 EDAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC(C)C)C2=O)cc1 9419926 HDUJBASTYGFSNV-HNNXBMFYSA-N 347.415 1.463 0 40 EDAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCCC1 19857041 XGNDGYMRNYSDPL-MRXNPFEDSA-N 336.457 1.851 0 40 EDAB CS(=O)(=O)NCCCNCc1cc(F)ccc1Br 90168660 VTPGRPWIIQNDIJ-UHFFFAOYSA-N 339.230 1.617 0 40 EDAB C[C@@H](C(=O)N1CCc2ccccc21)[S@@](=O)Cc1nnnn1C1CC1 71859148 XONWPSCUNSVQON-APXPCNQMSA-N 345.428 1.235 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)Cc1cn3ccsc3n1)C2 71871910 NQRXLMJSMRYUCT-UHFFFAOYSA-N 330.417 1.696 0 40 EDAB C[C@](O)(CN1CCN(CCO)CC1)c1cccc(C(F)(F)F)c1 68455290 BQDDJOQJVHGIBV-HNNXBMFYSA-N 332.366 1.523 0 40 EDAB COc1ccccc1CNC(=O)[C@@H](C)Sc1n[nH]c(=O)n1C1CC1 7776249 CNKLXTZSSZENHF-SNVBAGLBSA-N 348.428 1.712 0 40 EDAB COc1ccc2c(c1)OC[C@H](C(=O)N1CCc3nnc(N)cc3C1)C2 71860105 IVCQTHFYDQVLDP-CYBMUJFWSA-N 340.383 1.203 0 40 EDAB O=C(COC(=O)[C@H](c1ccccc1)N1CCSCC1)NC1CC1 71921321 UABIUTYXRYIGEF-INIZCTEOSA-N 334.441 1.598 0 40 EDAB CCOC1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 71921733 QJZXOJCMDVLKBL-GOSISDBHSA-N 332.444 1.915 0 40 EDAB CCN1C(=O)CN(CN(Cc2ccccc2)C[C@@H](C)C(=O)OC)C1=O 71920456 ISPBJBINVLAHAT-CQSZACIVSA-N 347.415 1.539 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC(C3OCCO3)CC2)c1C 69290174 UMSKHLIVQTXFMW-UHFFFAOYSA-N 336.388 1.643 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)c(OC)c1 8217435 FVHJNVMQIQRIBB-JSGCOSHPSA-N 348.399 1.352 0 40 EDAB CN1C(=O)c2ccc(NC(=O)CN(CCCCO)C3CC3)cc2C1=O 70018937 LYQBHLSWBIEIJY-UHFFFAOYSA-N 345.399 1.088 0 40 EDAB COCCN(C)CCCNC(=O)c1cn(-c2ccccc2)nc1C 69440346 XXGWLTLPWOEDSJ-UHFFFAOYSA-N 330.432 1.879 0 40 EDAB CC(=O)N1CCN(CCNC(=O)Cc2ccccc2OC(C)C)CC1 69491210 MNRCLAMYPLPTQC-UHFFFAOYSA-N 347.459 1.297 0 40 EDAB C[C@H](CNC(=O)CCCn1cncn1)N1CCc2ccccc2C1 69532316 GZCZGLFRKPQNNZ-OAHLLOKOSA-N 327.432 1.621 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)n1 69655123 PGVKBQWUBBOXTI-KBPBESRZSA-N 342.399 1.839 0 40 EDAB CC1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccccn3)C2=O)CC1 69628860 ZITDMCZYXNSARA-PWGQDJSOSA-N 344.415 1.544 0 40 EDAB CCC[C@@H](C)CC(=O)NS(=O)(=O)c1cccc(-n2cnnn2)c1 69658208 MVYCQCSEFRRIKH-LLVKDONJSA-N 337.405 1.294 0 40 EDAB Cc1cc(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)no1 69626071 XQTKRMFFNOQMBX-NSHDSACASA-N 338.161 1.702 0 40 EDAB CCCCNC(=O)CN(CCO)Cc1cnn(Cc2ccccc2)c1 69774601 ZUPFVKIFYXDXTO-UHFFFAOYSA-N 344.459 1.642 0 40 EDAB CCNC(=O)CN(CC)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 69848974 VIORENNKXFRUBS-DOTOQJQBSA-N 346.475 1.990 0 40 EDAB CNC(=O)c1cc(NC(=O)NCCNc2ncccn2)ccc1F 69808668 OUXSHOJUJJKTHD-UHFFFAOYSA-N 332.339 1.209 0 40 EDAB CCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 69849181 VWOHPIGWXGKBPR-PWSUYJOCSA-N 348.838 1.821 0 40 EDAB O=C(Cc1ccc(O)cc1)NCc1ccccc1CN1CC[C@H](O)C1 97081929 TYEUVXGDWSOMQB-IBGZPJMESA-N 340.423 1.818 0 40 EDAB O[C@@H](CNC[C@@H]1CCCN1c1cccnn1)COc1ccc(F)cc1 72276751 ZHBFAOLTCFUBEE-HOTGVXAUSA-N 346.406 1.614 0 40 EDAB CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 8991881 JLXFOVUVDVSCTF-OLZOCXBDSA-N 342.417 1.490 0 40 EDAB CN(C[C@@H]1CCCC[C@H]1O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 95996218 JBYDWWQGIXLJBP-YNEHKIRRSA-N 337.386 1.816 0 40 EDAB Cn1cnc(S(=O)(=O)Nc2ccccc2[S@](C)=O)c1Cl 84331765 NJHPSLRKSSVODW-LJQANCHMSA-N 333.822 1.612 0 40 EDAB CC(=O)Nc1cccc(NC(=O)CNC(=O)c2cccc(O)c2)c1 95945637 YLCGLBQWALSYTN-UHFFFAOYSA-N 327.340 1.719 0 40 EDAB CN1CCC[C@H](CNC(=O)c2nccnc2N)[C@@H]1c1ccccc1 95396799 PIVKPKWOFZITRL-ZBFHGGJFSA-N 325.416 1.872 0 40 EDAB CCc1nc(CN2CCO[C@H](CN(C)c3cccnn3)C2)cs1 89289937 VMXLQHMHSZNVDS-CQSZACIVSA-N 333.461 1.833 0 40 EDAB COCCNC(=O)c1nc(-c2ccnn2C(C)C)n2ccncc12 306129689 IKEHDBQDOTVZQT-UHFFFAOYSA-N 328.376 1.550 0 40 EDAB COCC[C@@H]1COCCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 521394255 KABUMCOWMXDTOM-OAHLLOKOSA-N 345.399 1.808 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2)s1 36182611 VYKLNZLYRMOUBC-UHFFFAOYSA-N 346.821 1.628 0 40 EDAB Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)ncc1C(=O)O 217401479 PPNVEUWLNPGFOS-UHFFFAOYSA-N 327.749 1.937 0 40 EDAB NCC1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218448973 RHVLHVIVOKPUKP-CVEARBPZSA-N 334.416 1.669 0 40 EDAB COc1cccc([C@@H](O)CNC(=O)NCc2ccc(C)nc2OC)c1 78925528 LPDPQRMRIMACGA-INIZCTEOSA-N 345.399 1.940 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218465957 VNHCISAJECAVFL-MBNYWOFBSA-N 331.821 1.359 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)cc1 75170514 UKOUJVOGHNXCMZ-HNNXBMFYSA-N 349.408 1.355 0 40 EDAB Cc1nc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2O)c(C)o1 563700676 JGCLXTOPTFFSFM-RKDXNWHRSA-N 332.360 1.785 0 40 EDAB CN1C[C@@H](C(=O)NCCc2nc(-c3ccccn3)cs2)CC1=O 78912575 KNXXZIVJKFXINK-NSHDSACASA-N 330.413 1.342 0 40 EDAB COCCOc1ncccc1C(=O)N[C@@H](C)c1c(C)nn(C)c1C 78996712 KTFXCRXSCFNVQG-NSHDSACASA-N 332.404 1.948 0 40 EDAB O=C(Cc1cccc(Cl)c1Cl)NC[C@H](O)CN1CCOCC1 193786339 IDEAIRAOGFFIAY-LBPRGKRZSA-N 347.242 1.345 0 40 EDAB CNC(=O)Cc1noc(-c2nc(-n3nc(C)cc3C)ccc2Cl)n1 193215557 DLRAMHYPXQFELA-UHFFFAOYSA-N 346.778 1.876 0 40 EDAB COc1ccc(C(=O)N2CC[C@H](Oc3ccc(N(C)C)nn3)C2)cc1 225444462 KXJGIHYPUYJWSL-HNNXBMFYSA-N 342.399 1.845 0 40 EDAB NC[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 44528943 DMTGSXUVPZYXOZ-SNVBAGLBSA-N 333.251 1.809 0 40 EDAB O=C1CNC(=O)N1CCN1CCc2cc(Cl)cc(Cl)c2C1 84133224 LLGRLIUSCGFKOE-UHFFFAOYSA-N 328.199 1.903 0 40 EDAB O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(CC4CC4)C3)N2C1 514289508 MXHNCHIRGYOUQE-RBUKOAKNSA-N 327.472 1.402 0 40 EDAB biogenic,in-vitro Cn1cccc1C(=O)N1CC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1 96218996 LCAFNLGTEDNFGP-MAUKXSAKSA-N 326.400 1.906 0 40 EDAB O=C(O)[C@@H]1CCCN(S(=O)(=O)NCc2ccc(C(F)F)cc2)C1 577175167 IGQWCWWNBBBDBM-GFCCVEGCSA-N 348.371 1.755 0 40 EDAB Cc1ccnc(C(=O)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c1 96216155 SSWQPTQIXOPWQF-KCQAQPDRSA-N 328.372 1.554 0 40 EDAB CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@H]([C@H](C)O)C1 96485678 QNUHVJWEPJBOLB-YJBOKZPZSA-N 332.444 1.697 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ccnnc2)cc1 583616120 LRPOGVXDUDYWGN-WMZOPIPTSA-N 327.384 1.998 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2cn(C(C)(C)C)nn2)C1 583617631 STBFUYJFLSPJFK-KGLIPLIRSA-N 345.451 1.991 0 40 EDAB CS(=O)(=O)N[C@H]1COCCC12CCN(Cc1ccccc1)CC2 96217008 WZUAYDFEBVMRBU-INIZCTEOSA-N 338.473 1.607 0 40 EDAB O=S(=O)(c1ccccc1)N1Cc2nc(CN3CCOCC3)oc2C1 96260274 FCCCXCCOVYBNBV-UHFFFAOYSA-N 349.412 1.211 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)n1nnc2ccccc2c1=O 95473405 PDQSEJXXAHPRDY-RISCZKNCSA-N 346.387 1.056 0 40 EDAB CC(=O)NCC(=O)N1Cc2ccccc2C2(CCN(C(C)C)CC2)C1 96242419 HVCVVTCSSMZVHF-UHFFFAOYSA-N 343.471 1.907 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(c2nc(-c3ccccc3)ns2)C1 97096951 OCTYMEVXCSGWQA-LBPRGKRZSA-N 338.458 1.723 0 40 EDAB O=C(c1ccoc1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1 96188732 IIXHHVUTJRLRNB-CYBMUJFWSA-N 339.355 1.005 0 40 EDAB O=C(CN1CCNC[C@@H]1C(F)F)NCCc1cccc2cccnc12 579958629 LQNDDWDJHCQOET-OAHLLOKOSA-N 348.397 1.432 0 40 EDAB COc1ccc(N2CCC[C@H](C(=O)N[C@@H]3CCOC(C)(C)C3)C2)nn1 96230685 SHYPLNRBYSZPQU-UONOGXRCSA-N 348.447 1.775 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95476629 JIOCWZRIMMUUSC-SNVBAGLBSA-N 342.330 1.964 0 40 EDAB CC1=N[C@@]2(CC[C@@H]3CN(c4ncccn4)C[C@@H]32)C(=O)N1CC(C)C 96261537 GZHBIZYCRJYEEQ-RVKKMQEKSA-N 327.432 1.978 0 40 EDAB CCOc1ccc([C@H](N)c2n[nH]c(Cn3cncn3)n2)cc1OCC 95534544 UBIFZZZJMJAORN-HNNXBMFYSA-N 343.391 1.290 0 40 EDAB C[C@H](C(=O)NC(C)(C)c1noc(CN(C)C)n1)N1CCCCCC1 96436210 LZSPMKVBNBHSBN-CYBMUJFWSA-N 337.468 1.747 0 40 EDAB CN(Cc1ccccn1)[C@@H]1CO[C@]2(CCN(c3nncs3)C2)C1 96072885 FLGFDEUPSZUOFA-GOEBONIOSA-N 331.445 1.803 0 40 EDAB O=c1c(Br)cncn1Cc1nnc(C2CC2)n1C1CC1 96501466 ZRFVVZLRPXXYIF-UHFFFAOYSA-N 336.193 1.858 0 40 EDAB Cn1cc(CN2CCC3(CC2)C[C@@H](c2cccnc2)C(=O)N3)cn1 96199458 FQNCNBHQYOKHFM-INIZCTEOSA-N 325.416 1.453 0 40 EDAB O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncccn1)c1ccco1 247474449 GTEHXNRRGSLEFS-GUTXKFCHSA-N 328.372 1.483 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1scnc1C)C2 248028264 LCGRMYHSZRHELV-LBPRGKRZSA-N 330.475 1.477 0 40 EDAB O=S(=O)(c1cccnc1)N1CC2(C[C@@H](OCC3CC3)CS2)C1 247292963 BNDSMKLFDKQHIY-CYBMUJFWSA-N 340.470 1.757 0 40 EDAB CO[C@H]1CCOC2(C1)CN(C(=O)c1ccc3c(c1)OCCCO3)C2 247986867 ZIBXAHOVVBQNQO-AWEZNQCLSA-N 333.384 1.868 0 40 EDAB Cc1ccc([C@@H](O)CNC(=O)C(C)(C)S(=O)(=O)C2CC2)cc1 252492319 MIQJJHVOBMRWOJ-AWEZNQCLSA-N 325.430 1.500 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 257249939 JKINDMRACQTRAX-OAHLLOKOSA-N 342.443 1.535 0 40 EDAB C[C@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)cc2Cl)C1 585121828 BGTNRIMIRSDVTA-ONGXEEELSA-N 347.820 1.820 0 40 EDAB CC(C)[C@H](CNC(=O)Nc1ccn(C)n1)ONC(=O)OC(C)(C)C 585119928 AIPYFOSRUDOIRB-NSHDSACASA-N 341.412 2.023 0 40 EDAB CC(C)C[C@H](NC(=O)[C@H]1CCCNC1=O)C(=O)Nc1nccs1 585132295 SOTUGSUPOFWNFL-QWRGUYRKSA-N 338.433 1.139 0 40 EDAB CNC(=O)c1cccc([C@@H]2CN(Cc3nccs3)CCN2C)c1 257274598 NLUMUFJTFJKUTI-HNNXBMFYSA-N 330.457 1.991 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@H](Cc3ccc4nccn4n3)C2)no1 257302400 SCUINYDFMCXTDD-CYBMUJFWSA-N 341.371 1.357 0 40 EDAB Cc1noc(C)c1C(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 257226757 FLZKGRYGOYZASN-CQSZACIVSA-N 330.388 1.742 0 40 EDAB O=C(NCc1ccco1)C(=O)NC[C@H](O)c1csc2ccccc12 253403532 QBYYOVQEVPHFPA-AWEZNQCLSA-N 344.392 1.960 0 40 EDAB O=C(c1cccn(Cc2ccccc2F)c1=O)N1CCC(CO)CC1 257328198 XEPDHMQLTLTWAY-UHFFFAOYSA-N 344.386 1.880 0 40 EDAB CC(C)(O)C(=O)NCCOc1ccc(I)cc1 252496584 PMEVYGHGLSAALB-UHFFFAOYSA-N 349.168 1.557 0 40 EDAB Cc1nc(C)c(S(=O)(=O)N2CC[C@H](C(=O)O)C(F)(F)C2)s1 289701215 MHGDQBJVRYYRNW-MRVPVSSYSA-N 340.373 1.490 0 40 EDAB CC(C)(COCc1ccccc1)C(=O)N1C[C@H](CO)[C@@H](CCO)C1 1615585617 FJYLSGJFHBGEQX-DLBZAZTESA-N 335.444 1.679 0 40 EDAB CS(=O)(=O)c1ccccc1CCNC(=O)[C@@H]1NCC12CCCC2 1615544467 BQUKAEVGFOKNBX-HNNXBMFYSA-N 336.457 1.281 0 40 EDAB O=C(CN1C(=O)Cc2ccccc21)N[C@@H](CCO)c1cccs1 1615557457 GDIZJYLWLACYDS-ZDUSSCGKSA-N 330.409 1.877 0 40 EDAB COc1cccc(C2=CCN(C(=O)[C@@H]3CCc4nnc(O)n4C3)C2)c1 1615590170 JXCKYTOEJUIDML-CQSZACIVSA-N 340.383 1.481 0 40 EDAB Cc1ccccc1O[C@@H](C)Cn1nnnc1N(C)C[C@@H]1COCCO1 1616031976 CDUXWVPEYWGCBT-LSDHHAIUSA-N 347.419 1.301 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)C2CC(F)(F)C2)Cc2cccn2C1 585099043 FZCLEZROUSNKBI-LLVKDONJSA-N 325.359 1.628 0 40 EDAB Cc1cccc(C[C@H]2CCN(CC(=O)N3CCOCC3)C[C@@H]2O)c1 585278288 BKQNNNFBXFDIPY-MSOLQXFVSA-N 332.444 1.079 0 40 EDAB O=C(NC[C@H]1CN(Cc2ccncc2)Cc2ccnn21)N1CCCC1 585112082 KROUZMHEECCRJW-KRWDZBQOSA-N 340.431 1.640 0 40 EDAB CCn1cc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cn1 67283002 NIPKTLILXYTLCS-UHFFFAOYSA-N 327.388 1.789 0 40 EDAB Cc1nc(C)c(CC(=O)NCc2ccc(N3CCCC3)nc2)c(=O)[nH]1 31285311 DXEAWYJJXNLGGU-UHFFFAOYSA-N 341.415 1.241 0 40 EDAB CNC(=O)CCc1cc(C)nc([C@H]2CCCN2c2cc(C)ncn2)n1 72367097 DDYKCNLQEOPYEX-OAHLLOKOSA-N 340.431 1.904 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1c[nH]nc1-c1ccc(F)cc1 45075723 GSJDSJOGYKYKQU-JTQLQIEISA-N 337.376 1.380 0 40 EDAB CN(C)c1cccc(CNC(=O)N2CCC[C@@H]2CN2CCOCC2)c1 73941259 VYRJOVGFJPLEHF-GOSISDBHSA-N 346.475 1.759 0 40 EDAB CN1CCN(c2cc(CNC(=O)COC3CCCCC3)ccn2)CC1 56792958 HZEVLPDPLOBYJP-UHFFFAOYSA-N 346.475 1.799 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1OC 75572322 DNULIDGNRDXJDK-LLVKDONJSA-N 343.401 1.640 0 40 EDAB Cn1cc(S(=O)(=O)NCC2(c3cccs3)CCOCC2)cn1 96120247 UJXCNEOKJIOHOD-UHFFFAOYSA-N 341.458 1.508 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 42565597 IKALOVDRBINJKN-RDJZCZTQSA-N 347.459 1.279 0 40 EDAB CC(C)C(=O)NCCn1nc(-c2ccc(F)cc2)n(C2CC2)c1=O 585200109 OZLLQRSEVVJLIV-UHFFFAOYSA-N 332.379 1.958 0 40 EDAB Cc1cnc(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)cn1 585326475 LSAVVFVHNXRXCD-UHFFFAOYSA-N 342.399 1.476 0 40 EDAB COc1ccc(CNC(=O)[C@]23CNC[C@H]2CCOC3)c(C)c1OC 1615550435 XTPWXMLZGGPONA-KDOFPFPSSA-N 334.416 1.255 0 40 EDAB CC(C)NC(=O)Cn1nc(-c2cccs2)n(-c2cccnc2)c1=O 12117431 VRRADKZWBNDKDU-UHFFFAOYSA-N 343.412 1.682 0 40 EDAB Cc1cc(-c2cnc(C)nc2C2CCN(S(C)(=O)=O)CC2)on1 12118336 FBEWSWJKFBWBJQ-UHFFFAOYSA-N 336.417 1.887 0 40 EDAB CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2c(C)cc(C)cc21 12514505 FUMZIOITLHYODU-ZCXUNETKSA-N 345.424 1.916 0 40 EDAB COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 13647523 MNQIXGKQAJOMQO-UHFFFAOYSA-N 343.401 1.278 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643585943 FOHUMYMJNLZFQI-SZVBFZGTSA-N 326.396 1.785 0 40 EDAB CCNC(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 21150596 KWBLAKXBIKWJTD-UHFFFAOYSA-N 349.826 1.163 0 40 EDAB Cc1cc(N2CCN(c3cc4c(nn3)CCC4)CC2)n2ncnc2n1 575608167 MAQSLWPZOBINPI-UHFFFAOYSA-N 336.403 1.038 0 40 EDAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)[C@@H]1COc2ccccc2O1 575605200 BFOIOMVLJVGKIB-QAPCUYQASA-N 346.427 1.444 0 40 EDAB CC1(C)C[C@@H]1C(=O)N1CCN(c2nc(O)c(F)c(C3CC3)n2)CC1 1888850281 JNKXJSBOMWAFIU-LLVKDONJSA-N 334.395 1.893 0 40 EDAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)N1CCNC1=O 22804685 UKZWXJOFUJYJSR-UHFFFAOYSA-N 342.852 1.071 0 40 EDAB O=C(/C=C/c1ccc2c(c1)CCO2)N1CCN(C(=O)C2CC2)CC1 25589506 YQWZBQKOPSCQGX-QHHAFSJGSA-N 326.396 1.716 0 40 EDAB CC(C)(C)OC(=O)N1CCOC2(CN(C(=O)CCc3ccc[nH]3)C2)C1 1565550167 SGLPXWNVMKMMSB-UHFFFAOYSA-N 349.431 1.796 0 40 EDAB O=C(C[C@H](NCc1ccco1)C(=O)O)Nc1ccc(C(=O)O)cc1 10434152 CGCUPWHBAPAKKS-ZDUSSCGKSA-N 332.312 1.549 0 40 EDAB O=C(NCC1CC1)C1(n2cccn2)CCN(c2ncccn2)CC1 2055782086 IYZNWIGYLZZOCS-UHFFFAOYSA-N 326.404 1.195 0 40 EDAB O=C(C1CC(F)(F)C1)N1CC[C@]2(C[C@H]2C(=O)N2CCOCC2)C1 2055815468 UNNOGFDGYXAIDF-WFASDCNBSA-N 328.359 1.129 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 2055815533 ZCCYGSDCQPAMBI-VQIMIIECSA-N 345.443 1.564 0 40 EDAB Fc1cccnc1N1C[C@@H]2CN(c3ncnc4[nH]cnc34)C[C@@H]2C1 2086868942 FWFXQGHYMPYBEE-PHIMTYICSA-N 325.351 1.460 0 40 EDAB O=C(CN1C(=O)CCC1=O)NCC1(c2cccs2)CCOCC1 38593230 JCHXMSBFHVJCLM-UHFFFAOYSA-N 336.413 1.062 0 40 EDAB C[C@@H](Oc1ccccc1F)C(=O)N1CC(CN2C(=O)CCC2=O)C1 618256117 NMZQSFYLTBRZDO-LLVKDONJSA-N 334.347 1.200 0 40 EDAB O[C@@H]1CCCC[C@@H]1N1CCN(c2ccnc(N3CCCC3)n2)CC1 2298178389 NUJRISJAOLRILQ-JKSUJKDBSA-N 331.464 1.502 0 40 EDAB Cc1nc(N2CCN(CC3(O)CCC3)CC2)cc(-n2cccn2)n1 2298181569 DFCAUIQXOUJBHF-UHFFFAOYSA-N 328.420 1.008 0 40 EDAB C[C@H]1CN(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCO1 40135486 XCRKUFHWDSFQOJ-HNNXBMFYSA-N 338.473 1.702 0 40 EDAB Cc1cc(NC(=O)Cn2cc(Br)ccc2=O)n(C)n1 40477572 WXELSWRLKNKTRT-UHFFFAOYSA-N 325.166 1.291 0 40 EDAB COC[C@@H](C)NC(=O)c1cc(Cl)c(-n2cnnn2)cc1OC 40549721 XTIUMDYIHVMNET-MRVPVSSYSA-N 325.756 1.089 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 31939070 HVVGACXIABSXKS-INIZCTEOSA-N 337.445 1.155 0 40 EDAB COc1ccc([C@@H](CNC(=S)NC2CC2)N2CCOCC2)cc1 21194174 XCGMUHYLBYOMFH-MRXNPFEDSA-N 335.473 1.695 0 40 EDAB CC(C)c1ccc2c(c1)[C@@H](NC(=O)Cn1ccccc1=O)C(=O)N2 102155234 HSVBKLMOOHSVNL-QGZVFWFLSA-N 325.368 1.781 0 40 EDAB CC(C)[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1cccs1 21669605 GHNBHCWCUHXBPM-YPMHNXCESA-N 330.475 1.985 0 40 EDAB COc1cc2[nH]c3c(=O)n(CC(OC)OC)cnc3c2cc1OC 488817 AFSLVRRBHKMGKN-UHFFFAOYSA-N 333.344 1.514 0 40 EDAB biogenic CCCn1nnnc1COC(=O)CCc1nc(-c2cccs2)no1 24206511 WMQFJAMFKNCWOV-UHFFFAOYSA-N 348.388 1.871 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3cn4cccnc4n3)C2)n1 105885137 AJZWTWROTDEQHQ-OAHLLOKOSA-N 325.420 1.850 0 40 EDAB Cc1cccc2nc(CN3CCN(C(=O)C4CC4)CC3)cc(=O)n12 24594185 HWWVATPJCBOMFY-UHFFFAOYSA-N 326.400 1.057 0 40 EDAB O=C(NCCN1CCCS1(=O)=O)c1sccc1OC(F)F 78501393 FPJMNPLVQQJVFT-UHFFFAOYSA-N 340.373 1.115 0 40 EDAB C[C@@H](N[C@H]1CCCc2c1cnn2C(C)(C)C)C(=O)N1CCOCC1 78890400 SZQXXNJDAFRGOY-HIFRSBDPSA-N 334.464 1.852 0 40 EDAB CN(C)c1ccc(NC(=O)C[C@@H](NC[C@@H]2CCCO2)C(=O)O)cc1 2482654 FPTFIGQANAMRRC-LSDHHAIUSA-N 335.404 1.303 0 40 EDAB CCOC(=O)NC(=O)CSc1nnnn1-c1ccc(C)cc1C 3367846 VWCAFZVZMUHLBE-UHFFFAOYSA-N 335.389 1.644 0 40 EDAB COCCCn1c(C)nnc1SCC(=O)Nc1nnc(C)s1 4877459 WWDKEUYMTSCLMX-UHFFFAOYSA-N 342.450 1.514 0 40 EDAB Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)cc1 7944186 RKWGEGZQZIFPDY-NSHDSACASA-N 337.401 1.905 0 40 EDAB C[C@@H](Sc1nnc(N)s1)C(=O)N1CCN(c2ccccc2)CC1 12534549 SEHXTHREUYNWEB-LLVKDONJSA-N 349.485 1.950 0 40 EDAB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)N3CC(=O)Nc2ccccc2)cc1 35678313 QRIOWZYYJKMKIE-QRTHJKPMSA-N 335.363 1.560 0 40 EDAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)C1(C)C 57991549 AXXKQAPRYWTQMO-KGLIPLIRSA-N 328.478 1.719 0 40 EDAB CN(C)[C@@H](CNC(=O)c1cnc2ccccn2c1=O)c1cccs1 44896733 BQBRMKITPNUXEJ-ZDUSSCGKSA-N 342.424 1.789 0 40 EDAB CCN1CCC(NC(=O)CSc2nnc(C3CC3)n2CC)CC1 27787550 RYCYCOJRVZZDCY-UHFFFAOYSA-N 337.493 1.868 0 40 EDAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@H]1CC(=O)N(C)C1 58214115 IKTMLQSDASRNSZ-ZDUSSCGKSA-N 343.383 1.831 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NCCc1ccc2c(c1)OCCO2 44948798 SDGRZMMTGJPJAN-ZDUSSCGKSA-N 330.388 1.585 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)COc2ccccc2)CC1 58394056 ZOYVBZOAIGEZJF-MRXNPFEDSA-N 331.416 1.006 0 40 EDAB CC(=O)N1CCC(C(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 10454441 RMPVMHRZLGWOIY-UHFFFAOYSA-N 343.427 1.688 0 40 EDAB COc1cc(N2C(=O)C(=O)[C@H](C(C)=O)C2=O)c(OC)cc1Cl 104212427 YRLNVNLJKXLZNY-NSHDSACASA-N 325.704 1.005 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)[C@H]2CCC(=O)C[C@H]2C)cc1F 95447036 RLTMTFOEUMFVET-DOMZBBRYSA-N 334.391 1.985 0 40 EDAB COCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 2226113 UTYGAORKXUBHCD-UHFFFAOYSA-N 331.401 1.594 0 40 EDAB Cn1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1=O 28421742 GRHWJXDEBNLFGI-HNNXBMFYSA-N 329.400 1.935 0 40 EDAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(C)c(C)c2)NC(=S)N1 56044483 MHNOGCHHLOTDKR-INIZCTEOSA-N 345.468 1.955 0 40 EDAB CCOc1ccc(CC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 29189808 OFIAWTSYMXOLNX-CQSZACIVSA-N 340.445 1.168 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C)C2)cc1 11502158 AHGOJUWBIZVNLF-CHWSQXEVSA-N 340.445 1.624 0 40 EDAB COc1cccc(C(=O)N2CCN(c3cnccn3)CC2)c1OC 11544132 LWFHJJSXNLMGQY-UHFFFAOYSA-N 328.372 1.456 0 40 EDAB CN1C[C@H](c2ccccc2)[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1=O 107195728 CDNLXVCKFGRSIS-FCEWJHQRSA-N 328.412 1.497 0 40 EDAB CC(=O)N1CCC(C(=O)Nc2cccc(N3CCOC3=O)c2)CC1 46223089 PCLGITFTJLXVOF-UHFFFAOYSA-N 331.372 1.840 0 40 EDAB Cn1nccc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 108534934 PNAMMCLSYFLJBK-WMZOPIPTSA-N 332.448 1.271 0 40 EDAB Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3c3ncon3)[nH]n2)cc1 95981397 RHBVUIGZJZGBIG-HNNXBMFYSA-N 339.355 1.982 0 40 EDAB COc1cccc(C(=O)NCCCn2ncc3c2c(C)nn3C)c1 57279030 RRLKOZWFLDPVDM-UHFFFAOYSA-N 327.388 1.907 0 40 EDAB CC(C)NC(=O)N1CCC[C@]2(C(=O)O)CN(c3ccccn3)C[C@@H]2C1 107201622 XLVJRAFTUQNBJO-KSSFIOAISA-N 346.431 1.803 0 40 EDAB O=C(NCc1ccccc1)[C@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]1O2 107264959 TYNLKEBODOYVJT-GBESFXJTSA-N 337.423 1.987 0 40 EDAB CNC(=O)[C@@H]1CCC[C@]12CCN(S(=O)(=O)Cc1ccccc1)C2 108536478 WYZHERCFLWDPHR-DOTOQJQBSA-N 336.457 1.755 0 40 EDAB CCCCOc1ccc(S(=O)(=O)NCCC[n+]2cc[nH]c2)cc1 101370804 JZYSEXNVGWVTCR-UHFFFAOYSA-O 338.453 1.850 0 40 EDAB O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1cn[nH]c1 48232378 XGLQDOMLCGSKCL-UHFFFAOYSA-N 342.808 1.701 0 40 EDAB COc1ccc([C@@H](NC(=O)NC[C@H]2CCOC2)c2nccn2C)cc1 48297612 YSDSEAFGQIJPHK-CZUORRHYSA-N 344.415 1.854 0 40 EDAB O=C(NCc1cccnc1)NCc1ccc(N2CCOCC2)nc1 48302126 SUAQJGNMFDYDFH-UHFFFAOYSA-N 327.388 1.313 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 3480206 RKHHSCHGOYVQGD-UWVGGRQHSA-N 336.388 1.627 0 40 EDAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NCC)C1=O 3596114 YLMCDJYSBVMTST-KRWDZBQOSA-N 346.387 1.080 0 40 EDAB C[C@H](OC(=O)CN1CSCC1=O)C(=O)c1c[nH]c2ccccc12 21374425 RXNZSFVFKRRMOV-JTQLQIEISA-N 332.381 1.815 0 40 EDAB O=C(NCCn1cccc1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 95440826 OGFVCZRVFJDZNO-GJZGRUSLSA-N 333.388 1.615 0 40 EDAB Cc1ccc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)cc1 5021427 AGNYZSCQMLKTAW-UHFFFAOYSA-N 339.355 1.845 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 6108246 MJMHXDRWMDASNZ-IBGZPJMESA-N 343.427 1.715 0 40 EDAB COCCN1[C@@H](C)CN(C(=O)c2cc(F)c(F)c(O)c2F)C[C@@H]1C 97374941 CNULTUJYLYWLJB-UWVGGRQHSA-N 346.349 1.991 0 40 EDAB COc1ccc([C@@H](NC(=O)Nc2cnn(CC(N)=O)c2)C2CC2)cc1 65449840 MSOYEYSBGVGZES-INIZCTEOSA-N 343.387 1.650 0 40 EDAB COC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@H]1c1cccnc1 6417407 HYNSPNGINNOPCM-NSHDSACASA-N 344.396 1.891 0 40 EDAB CN(C)c1ccccc1CN1CCCC[C@H]1C(=O)N1CCOCC1 72602305 VYMKLRBTCKKOGO-SFHVURJKSA-N 331.460 1.966 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)CCc2ccccc2OC(F)(F)F)CCO1 66643790 DSLCLRAWWAJPEQ-LBPRGKRZSA-N 346.305 1.231 0 40 EDAB CNS(=O)(=O)CC(=O)NCCCc1cccc(Br)c1 83608566 WRHKIZKCZDDTJC-UHFFFAOYSA-N 349.250 1.047 0 40 EDAB O=C([C@@H]1CCCN1C(=O)COC1CCCC1)N1CCSCC1 71898258 TVYNNLPCVYGXPM-AWEZNQCLSA-N 326.462 1.512 0 40 EDAB CN(Cc1cc(=O)n2ccccc2n1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 81097900 RURVARQTFMZZHT-CABCVRRESA-N 349.456 1.482 0 40 EDAB CN(CCC(=O)Nc1ccc(Cl)cc1)CC(=O)N1CCOCC1 71897215 ZISVMFMYBYJPTH-UHFFFAOYSA-N 339.823 1.459 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1 68712174 WNZDADCBAXOPKV-CQSZACIVSA-N 342.443 1.846 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](C(N)=O)c2ccccc2)c1 68732081 MYVIAHPONVSOQD-DYVFJYSZSA-N 340.379 1.999 0 40 EDAB CN1N=C(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CCC1=O 71820011 HHXSVGXSFUAYLY-CQSZACIVSA-N 335.791 1.848 0 40 EDAB Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2cccnc2)o1 8075222 XGMITXWZDYLBBG-UHFFFAOYSA-N 343.368 1.519 0 40 EDAB COc1ccc(-c2noc(CN3CCN(C(C)=O)CC3)n2)cc1OC 16699044 WZEAXCCZMLSHGX-UHFFFAOYSA-N 346.387 1.418 0 40 EDAB O=C1CN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CCN1 71818554 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NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc(Cl)ccn2)CC1 69535366 NOYFWAKUXFCAPG-CQSZACIVSA-N 336.823 1.289 0 40 EDAB O=C1NC(=S)N/C1=C/c1ccc2c(c1Br)OCO2 408822724 TZUAOLSCAHHGFA-ZZXKWVIFSA-N 327.159 1.523 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cncc(-c2cnn(C)c2)c1 69780200 CALCYDFLSCUKCN-OAHLLOKOSA-N 330.388 1.800 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)CCc2ccncc2)CC1 69770259 UXJUWYRCWUYACH-UHFFFAOYSA-N 341.459 1.965 0 40 EDAB CS(=O)(=O)NCCNC(=O)CCc1ccc(C(F)(F)F)cc1 69708157 GCYBRLPNMYDKGU-UHFFFAOYSA-N 338.351 1.303 0 40 EDAB Cc1cc(C)n(C2CN(C[C@@H](O)COc3ccc4c(c3)OCO4)C2)n1 69897109 CWGIDJNUHBXKCK-OAHLLOKOSA-N 345.399 1.525 0 40 EDAB CCOCCCNC(=O)Nc1cccc(OCCS(C)(=O)=O)c1 69978417 MXDFHBUAJINACE-UHFFFAOYSA-N 344.433 1.658 0 40 EDAB CC(C)c1nc(CN2CCCN(CCCS(C)(=O)=O)CC2)no1 69952244 WANBWIVWKCDSHT-UHFFFAOYSA-N 344.481 1.135 0 40 EDAB O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1ccccc1N1CCC[C@@H]12 8741377 WROCESJQAWDQLC-RDTXWAMCSA-N 341.436 1.604 0 40 EDAB O=C(CN1CCN(C(=O)c2ccon2)CC1)Nc1ccc(Cl)cc1 95440385 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EDAB Cn1nc(-c2ccncc2)cc1NC(=O)c1noc2c1COCC2 527604386 IHRZQEJLRZKGOA-UHFFFAOYSA-N 325.328 1.795 0 40 EDAB Cc1c(C(=O)NCc2cccnc2)sc2nc(C)n(C)c(=O)c12 31868378 LOGZSQNHMCCUKX-UHFFFAOYSA-N 328.397 1.937 0 40 EDAB Cc1nc(-n2cccc2)sc1C(=O)NCCn1ncccc1=O 38488148 HXVKDNBSJIVPBC-UHFFFAOYSA-N 329.385 1.229 0 40 EDAB CC(=O)NCCCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 77528006 UFBQGEULBYJFCJ-INIZCTEOSA-N 346.475 1.819 0 40 EDAB C[C@H](CN(C)C(=O)Cc1ccc(-n2cccn2)cc1)c1nnn[nH]1 183434962 ISEHIILBOBRFRW-GFCCVEGCSA-N 325.376 1.190 0 40 EDAB CN1CCN(Cc2ccc(C(=O)NC[C@@H]3CCCC[C@H]3O)cc2)CC1 73932758 KTZBHLTWYXTKKQ-RBUKOAKNSA-N 345.487 1.715 0 40 EDAB COc1ccc2c(CC(=O)NC3CCN(CC(N)=O)CC3)coc2c1 40051022 JUBNPEYUOLUFNM-UHFFFAOYSA-N 345.399 1.050 0 40 EDAB O=C1CC[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@H](c2ccccc2)N1 564640291 HQMZJEREDJCDBW-KDOFPFPSSA-N 338.411 1.969 0 40 EDAB CN(Cc1ccco1)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 72237875 ORLQGGPFVRPZQW-IAGOWNOFSA-N 328.368 1.837 0 40 EDAB CCS(=O)(=O)C1CCN(C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)CC1 225549861 HHNYKCXJGAUVIE-CDGCEXEKSA-N 326.462 1.640 0 40 EDAB CCOC(=O)C1(c2ccc(NC(=O)CN3CCCC3=O)cc2)CC1 225885642 FSPUTDPHLNRSBL-UHFFFAOYSA-N 330.384 1.842 0 40 EDAB Cc1ccccc1[C@H]1C[C@H]1C(=O)NC[C@@](C)(O)CN1CCOCC1 195533933 DUDGJJZDPGTZSE-ZHALLVOQSA-N 332.444 1.298 0 40 EDAB NC(=O)CN[C@H]1C2=C(CCCC2)C(=O)N1CCc1ccc(Cl)cc1 199431013 WAPFERZMHDPAGK-QGZVFWFLSA-N 347.846 1.996 0 40 EDAB CCOC(=O)c1ccc(OC)c(N2C[C@@H](C(=O)OCC)CC2=O)c1 45953247 DIFRKVXLKAVKHU-LBPRGKRZSA-N 335.356 1.788 0 40 EDAB Cn1cccc1-c1noc(CNC(=O)[C@@H]2COc3ccccc3O2)n1 225765468 CQDIZEJMBIAIRK-AWEZNQCLSA-N 340.339 1.531 0 40 EDAB Cc1nnc(CN(C)C(=O)[C@H](CC(C)C)N2CCCCC2=O)n1C 87357078 HLYSBYQDBPHXNC-AWEZNQCLSA-N 335.452 1.509 0 40 EDAB CCN1CCN([C@@H](C)CNS(=O)(=O)c2cccc(C)c2)CC1 195576921 IKPOWJCTMKDXBA-HNNXBMFYSA-N 325.478 1.299 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)NC[C@H](O)c2c(F)cccc2F)C1 96483526 HDJSNWHLDGGVDS-GWCFXTLKSA-N 334.388 1.565 0 40 EDAB 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CNC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cn1C 26744240 LYUVXUCVRXFUHQ-NSHDSACASA-N 333.413 1.525 0 40 EDAB Cc1cccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ncccn3)C2)n1 257224959 FEDBPKITZBNYJL-SFHVURJKSA-N 341.415 1.284 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H](Cc3ccccn3)C2)n1 257247691 JABHORTWGITJGJ-OAHLLOKOSA-N 326.400 1.428 0 40 EDAB COc1cc(NCCNC(=O)[C@]2(O)C[C@H]3CC[C@H]2C3)cc(OC)c1 1615587224 YJDPVXXQLNZRAC-LXIYXOSZSA-N 334.416 1.783 0 40 EDAB O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC=CC1 1615587416 LFUCLMVAZOIDLC-UHFFFAOYSA-N 348.424 1.655 0 40 EDAB CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2cc(F)ccc2N(C)C)C1 1615554927 WFWPGFXYTLSQBA-SMDDNHRTSA-N 336.411 1.873 0 40 EDAB C[C@@H]([C@@H]1CCCCN1Cc1nccn1C)N1CCCS1(=O)=O 1615615487 XUQXURDQCUGTHZ-KBPBESRZSA-N 326.466 1.199 0 40 EDAB CN(C)C(=O)CCn1cc(C=C2CN(C(=O)OC(C)(C)C)C2)cn1 1616037494 AABSSDXGCVOYQV-UHFFFAOYSA-N 334.420 1.996 0 40 EDAB COCO[C@@H]1CCO[C@@H]1[C@@H]1OC(C)(C)O[C@@H]1[C@@H]1COC(C)(C)O1 601014519 MZNXWVNRRBHRNU-HTOAHKCRSA-N 332.393 1.436 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575405057 REFGPEYJCQLCJA-HIFRSBDPSA-N 334.441 1.721 0 40 EDAB COc1cc(C(=O)N2CCC[C@]23CC(C)(C)O[C@H]3CC(N)=O)ccn1 585287858 GCYGVFWIIQGMRQ-SCLBCKFNSA-N 347.415 1.508 0 40 EDAB CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC[C@@H](O)CN1CCN(CCO)CC1 585657670 SPYRNWLNZNVRQZ-LSTDLKDCSA-N 340.508 1.189 0 40 EDAB CCCCC(=O)N1Cc2cncn2[C@H](C(=O)NCc2ccco2)C1 585096140 UKFDVCLQAYTWHL-HNNXBMFYSA-N 330.388 1.866 0 40 EDAB CN(C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1)C1CC1 65562801 JYSCEHYMZBQUQF-CYBMUJFWSA-N 344.433 1.510 0 40 EDAB CN1CC[C@@H](C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CC1=O 44623090 GETBUHSVQUJAAN-SJORKVTESA-N 345.443 1.045 0 40 EDAB C[C@H]1CN(C(=O)NCc2ccccc2CN2CCOCC2)C[C@H](C)O1 54101375 ONFPWCMKKWALSE-HOTGVXAUSA-N 347.459 1.838 0 40 EDAB COc1ccc(OC)c(NC(=O)NCC(C)(C)N2CCOCC2)c1 40526059 SVHGKKPGTQBWBV-UHFFFAOYSA-N 337.420 1.936 0 40 EDAB CCCCc1noc(CN2CCCC[C@H]2CNS(C)(=O)=O)n1 40511272 OYERWZXFCCZQMP-LBPRGKRZSA-N 330.454 1.316 0 40 EDAB CN(C)[C@H](C(=O)NCCC(=O)N1CCCC1)c1c(F)cccc1F 95436650 GSKGZGVZBCNMRS-INIZCTEOSA-N 339.386 1.696 0 40 EDAB COCCn1cc2c(n1)[C@H](NC(=O)c1cc(C)c(C(=O)O)o1)CCC2 1606931781 SMTKCIVPIVKBGD-GFCCVEGCSA-N 347.371 1.937 0 40 EDAB Cn1ccnc1CN1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615161028 KRWNPALYDMFLIF-JKSUJKDBSA-N 325.453 1.315 0 40 EDAB COC(=O)C1=NN(C(=O)c2cccc(Br)c2)[C@@](C)(O)C1 5530919 NLFXVWUUEPHBDH-ZDUSSCGKSA-N 341.161 1.533 0 40 EDAB O=C1NC2=C(C(=O)N(CCN3CCCC3)C2)[C@H](c2cccc(F)c2)N1 12113453 DLJZUKICSJUCHQ-INIZCTEOSA-N 344.390 1.372 0 40 EDAB COc1ccccc1CN1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 19570631 FHHGEXAACPBKAD-UHFFFAOYSA-N 349.394 1.794 0 40 EDAB CCC(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19694727 VBYIAGUEXSMOKE-GFCCVEGCSA-N 326.404 1.726 0 40 EDAB CC(=O)N[C@H]1CN(C(=O)CCc2ccc(F)cc2)C2(CCNCC2)C1 19704871 BQZSLFPUMLDOKH-QGZVFWFLSA-N 347.434 1.618 0 40 EDAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)C(O)(CC(=O)O)CC(=O)O)C2 225454517 OAWJOZQLMVETKE-YHAQOWFVSA-N 328.361 1.425 0 40 EDAB biogenic,in-vitro CCOCC(=O)N1C[C@@H]2CN(c3nc(C)nc4c3CCC4)C[C@@H]2C1 1888853177 JLJJFQGIGWQYID-OKILXGFUSA-N 330.432 1.205 0 40 EDAB CN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)Cc1ccc(F)c(F)c1 40496347 IQPPBXGGIFGMJO-HNNXBMFYSA-N 346.399 1.090 0 40 EDAB COc1cnccc1C(=O)N1CC[C@H]2CN(C(C)C)CCO[C@@H]2C1 1565545772 ONOVJGCYCWJVSC-WMLDXEAASA-N 333.432 1.662 0 40 EDAB COCCN(CCOC)C(=O)C(=O)c1c(C)n(C)c2ccccc12 4062375 IIXFRPDBGNODIP-UHFFFAOYSA-N 332.400 1.791 0 40 EDAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(C(=O)C2CC(F)(F)C2)C1 2055771838 DKCKAJTWVSXOBH-OAHLLOKOSA-N 340.374 1.334 0 40 EDAB CCOC(=O)[C@H]1CCCN(c2nc(N3CCCC3)c3nn[nH]c3n2)C1 70655796 VORBZTJZEIAXPL-NSHDSACASA-N 345.407 1.128 0 40 EDAB C[C@@H]1CN(c2ccc(C(=O)NCCCn3cccn3)cn2)C[C@@H](C)O1 40512474 PVYSNOQWFLVTJV-HUUCEWRRSA-N 343.431 1.712 0 40 EDAB CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(OC)c(OC)cc1F 32072976 ORVVPQNDRWSFID-LLVKDONJSA-N 348.440 1.852 0 40 EDAB CC(=O)N1CCN(Cc2cn3cc(Br)ccc3n2)CC1 51559144 WAGPMENLSNUQSB-UHFFFAOYSA-N 337.221 1.761 0 40 EDAB COc1ccc(OC)c(/C=C/C(O)=C2\C(=O)NC(=O)N(C)C2=O)c1 101409196 URLTXTFHERWWSM-DVFXTYPQSA-N 332.312 1.237 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccnc1N(C)C 32688945 WJBRUGGSYBIAGD-UHFFFAOYSA-N 348.428 1.033 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Oc1ccc2c(c1)OCO2 102209849 DSXSCCPYIIKCQU-VXGBXAGGSA-N 331.324 1.496 0 40 EDAB CCN(C(=O)[C@H](C)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 52770975 VDGANVPOAPIUDS-SMDDNHRTSA-N 328.409 1.662 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 21938624 GDCVJXGLCPZXNC-UHFFFAOYSA-N 349.475 1.350 0 40 EDAB CCNc1nc(OC)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1 551409 KLXDZWOPQNQHFC-UHFFFAOYSA-N 340.343 1.650 0 40 EDAB CC(=O)N1CCN(c2nc(C)c(Cc3ccccc3)c(=O)[nH]2)CC1 41602244 UOWYLWIHAYUABM-UHFFFAOYSA-N 326.400 1.338 0 40 EDAB CNC(=O)C1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 53847029 PPKJFVOCEZMMFU-UHFFFAOYSA-N 334.807 1.306 0 40 EDAB Cc1noc(C)c1CNC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 104275154 ISFAFFQBZGTMNI-MRXNPFEDSA-N 333.392 1.482 0 40 EDAB NC(=O)NC(=O)CCN1CCN(Cc2ccc(Cl)s2)CC1 23249133 JLAJUHQUBUIMBE-UHFFFAOYSA-N 330.841 1.104 0 40 EDAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1 203750 IKRBZGXTEJTISR-CYBMUJFWSA-N 340.420 1.849 0 40 EDAB CN1CCN(C[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)O)CC1 71280896 NQCSVXMAVOQXNU-LBPRGKRZSA-N 339.823 1.617 0 40 EDAB C[C@H](NC(=O)NCCCn1nc2n(c1=O)CCCC2)c1ccccc1 42846115 ROOLGLKETRSGRK-AWEZNQCLSA-N 343.431 1.832 0 40 EDAB NC(=O)CN1CCC(NC(=O)CCCOc2ccc(F)cc2)CC1 43122502 QZJBGNAGLKOAKH-UHFFFAOYSA-N 337.395 1.051 0 40 EDAB O=C(N[C@H]1CCOc2ccccc21)N1CCN(c2cnccn2)CC1 43164943 ZLJARYAJECJTFK-HNNXBMFYSA-N 339.399 1.832 0 40 EDAB CC(C)CN1CCN(C(=O)CCCNC(=O)c2ccccc2)CC1 55168251 WVZOBZHZPOKBHY-UHFFFAOYSA-N 331.460 1.997 0 40 EDAB CN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 47615836 WIGQOMSYODNFPE-INIZCTEOSA-N 341.455 1.739 0 40 EDAB CC[C@H]1CN(CC(=O)N(C)Cc2ccsc2)CCN1C[C@H](C)O 106906699 RIXNIVFYDXDQLK-HOCLYGCPSA-N 339.505 1.484 0 40 EDAB Cn1c(=O)c2[nH]c(Br)c(Br)c2n(C)c1=O 4721786 OLOZOQUEYKEJSD-UHFFFAOYSA-N 336.971 1.090 0 40 EDAB Nc1c(C(=O)N2CCCCCC2)nnn1-c1ccc2c(c1)OCCO2 4985064 FVUPEDHDSUYEQF-UHFFFAOYSA-N 343.387 1.637 0 40 EDAB Cc1cc([C@@H]2CCCN2C(=O)CN(C)c2ncnc3[nH]cnc23)no1 56631455 DRTFTOXADVGMAZ-LBPRGKRZSA-N 341.375 1.449 0 40 EDAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccnc(-n2ccnc2)c1 58029613 CMZPXMYQADBDAY-CQSZACIVSA-N 336.351 1.837 0 40 EDAB C[C@@H](C(=O)Nc1ccc(Br)cc1F)N1CCNC(=O)C1 10021124 SJSXELIYFIYLLE-QMMMGPOBSA-N 344.184 1.347 0 40 EDAB O=C(Cn1nnn(-c2ccccc2)c1=O)N(C1=CCCCC1)C1CC1 12585764 JXRZLIHBOBWHLK-UHFFFAOYSA-N 339.399 1.878 0 40 EDAB Cc1ocnc1Cn1nnc([C@H](NC(=O)c2ccccc2)C2CC2)n1 95442176 PLKVODQVFQJMBX-OAHLLOKOSA-N 338.371 1.899 0 40 EDAB O=C(NCCCN1CCCCCC1=O)c1sccc1-n1cnnn1 44935076 MXILOCCKXDAYER-UHFFFAOYSA-N 348.432 1.246 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)c1nnc2ccccn12 44948164 WIWKABMJQHMMHW-VXGBXAGGSA-N 336.417 1.293 0 40 EDAB COCCOc1ncccc1C(=O)N1CCC(n2ccnc2)CC1 58378901 GKXLXUVUJHXUAY-UHFFFAOYSA-N 330.388 1.781 0 40 EDAB O=C(CCNC(=O)c1ccn(-c2ccccc2)n1)NCc1ccncc1 58378360 CWVDUFNISQCFDH-UHFFFAOYSA-N 349.394 1.704 0 40 EDAB CC(C)C(=O)NC1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 58950083 UVZWTHLERYBSGH-UHFFFAOYSA-N 346.427 1.764 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 102901026 IHTYYKNULISRPY-BETUJISGSA-N 328.368 1.968 0 40 EDAB CCc1cc(=O)n2nc(N3CCCC[C@H]3[C@H]3CNC(=O)C3)sc2n1 95449527 SVUIFPCLYCSNRS-PWSUYJOCSA-N 347.444 1.208 0 40 EDAB Cc1ccccc1NC(=O)COC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646822 POXAKRISOWOOGE-HIOOUATESA-N 329.352 1.674 0 40 EDAB CCCN(CC(=O)OC)S(=O)(=O)c1cc(OC)ccc1OC 45813517 DTOBJGLPJQOKEC-UHFFFAOYSA-N 331.390 1.278 0 40 EDAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccccc3F)ccc21 11615493 RVFNCNGYYBXAFW-UHFFFAOYSA-N 335.360 1.817 0 40 EDAB Cc1cccc(N2N=C(C(=O)NCCCn3cccn3)CCC2=O)c1 45905577 KZHPNQHHJUKFMQ-UHFFFAOYSA-N 339.399 1.881 0 40 EDAB O=C1COc2ccc(NS(=O)(=O)c3ccc4c(c3)CCO4)cc2N1 45909324 BVYCOUDLLJASGD-UHFFFAOYSA-N 346.364 1.753 0 40 EDAB O=C(NCc1cccnc1-n1cccn1)N(C[C@@H]1CCOC1)C1CC1 46080782 UNGXBMCKBJAVRO-AWEZNQCLSA-N 341.415 1.978 0 40 EDAB COc1ccccc1CN(CCN1C(=O)CCC1=O)C[C@H]1CCCO1 48253151 NXXBTFCTVBWURC-MRXNPFEDSA-N 346.427 1.825 0 40 EDAB CN(C)C(=O)[C@@H]1C[C@@H]2CCN(CCOCc3ccccc3)C[C@@H]2O1 107714580 VCLUNHBAVBSTDJ-BZSNNMDCSA-N 332.444 1.771 0 40 EDAB Cc1cnc(CNC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)s1 95428268 BKTZOXHRHWWDFP-JSGCOSHPSA-N 349.460 1.840 0 40 EDAB C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C[C@@H](C)O1 13102609 HOPWOKJLXPABIV-TXEJJXNPSA-N 349.822 1.968 0 40 EDAB CCOC(=O)c1cn(CC(=O)Nc2ccc(OC)cc2OC)nn1 5026084 ACUSRCHVQCXEIJ-UHFFFAOYSA-N 334.332 1.111 0 40 EDAB COC(=O)Cc1cc(=O)[nH]c(SCc2ccc(OC)c(F)c2)n1 5117759 LHHRCRYOPDXADO-UHFFFAOYSA-N 338.360 1.925 0 40 EDAB Cn1c(=O)c2c(ncn2CCCOc2ccc(Cl)cc2)n(C)c1=O 5117894 WFGSSTOAVVJWRX-UHFFFAOYSA-N 348.790 1.556 0 40 EDAB CN(CC1CC1)C(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 65499633 GDAANTKXVXSZFY-LSDHHAIUSA-N 336.432 1.837 0 40 EDAB CCO[C@H]1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 65495874 VFXHJSTYPNBKKP-INIZCTEOSA-N 341.411 1.933 0 40 EDAB Cc1ccc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)nc1 14095636 TVMIJXFPOSUCGE-LLVKDONJSA-N 344.396 1.456 0 40 EDAB NC(=O)[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1 14098166 IZYGTSMHEQHKGN-CYBMUJFWSA-N 326.324 1.470 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2cnc(C)cn2)C(N)=O)cc1 65521247 RDVPSJLNQYXNQA-CQSZACIVSA-N 342.399 1.258 0 40 EDAB NC(=O)CN1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 14159004 UCABFQNGRQHMOY-UHFFFAOYSA-N 348.410 1.299 0 40 EDAB O=C(CNC(=O)c1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 14114901 FIULEWWPENLITF-UHFFFAOYSA-N 337.379 1.947 0 40 EDAB COc1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 71768185 RVPMCCVLCRXYGW-UHFFFAOYSA-N 345.443 1.641 0 40 EDAB COc1ccccc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 4966440 MICAKWRCTCVWEW-UHFFFAOYSA-N 343.335 1.897 0 40 EDAB Cn1ccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1=O 95954287 WUAMIPFLNHHQHO-OAHLLOKOSA-N 325.368 1.089 0 40 EDAB O=C(NC1CCOCC1)N1CCC(C(=O)N2CCCCCC2)CC1 80086831 BCHRSCFFWZMTPK-UHFFFAOYSA-N 337.464 1.990 0 40 EDAB Cn1ccnc1C[C@@H](NC(=O)CN1CCCCC1=O)c1ccccc1 96431879 ZNQULISTWOYVMB-MRXNPFEDSA-N 340.427 1.833 0 40 EDAB Cn1ccnc1-c1cc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)n(C)n1 95939219 HWFRPPJBHPMCSO-NSHDSACASA-N 340.391 1.223 0 40 EDAB C[C@H](NC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1)[C@H]1CCCO1 68414052 YHIHJJJYLYKFFF-CGTJXYLNSA-N 331.460 1.659 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)c2c(c1)OCO2 68562799 LTOOHVIGOFNYDZ-ZDUSSCGKSA-N 346.770 1.895 0 40 EDAB CN(Cc1cccs1)C(=O)CN1CCCC[C@H]1Cn1cncn1 71878732 OYTGXSCEWYGDCP-AWEZNQCLSA-N 333.461 1.853 0 40 EDAB C[S@@](=O)c1nncn1Cc1nc(Cc2cccc(Cl)c2)no1 71899894 SPCSSSUHJXXJEK-QFIPXVFZSA-N 337.792 1.691 0 40 EDAB Fc1ccc(-c2nnc(CN3CCO[C@@H](Cn4cncn4)C3)o2)cc1 71876503 AXEZZFZKACSEMS-CQSZACIVSA-N 344.350 1.368 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(Cc3cccs3)CC2)cn1 71841284 HWIFGFKORMJUHK-HOTGVXAUSA-N 330.457 1.930 0 40 EDAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(c2ccncc2)CC1 71846889 OLMNUWRMQGCRJQ-UHFFFAOYSA-N 334.379 1.886 0 40 EDAB Cc1cnn(CCN[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)c1 70006407 FIDKIQDOLFUHKP-CABCVRRESA-N 344.415 1.126 0 40 EDAB Cc1noc([C@@H](C)N2CCN([C@@H](C(N)=O)c3ccc(F)cc3)CC2)n1 69386965 PNSMMFOWELEVKK-IAQYHMDHSA-N 347.394 1.422 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCc2c(nc(C(C)C)n2C)C1 69493476 MYGVLPYOESOUNZ-UHFFFAOYSA-N 344.463 1.891 0 40 EDAB CN(C)c1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccncc3)C2)cc1 83854272 XIDUZWDYEGYADT-INIZCTEOSA-N 338.411 1.792 0 40 EDAB CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cncc(F)c2)C1 71914015 DXJXRDSLQFCLTG-UHFFFAOYSA-N 331.369 1.118 0 40 EDAB CN1CCO[C@H](CNC[C@H](O)COc2cccc(C(F)(F)F)c2)C1 69664953 ZLWDQCHDINZXGX-DZGCQCFKSA-N 348.365 1.365 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)NC[C@](C)(O)c1ccc(F)cc1F 69703357 DKIJWKLZUXULJO-BONVTDFDSA-N 349.399 1.502 0 40 EDAB Cc1ccccc1CCNC(=O)CN1CCC[C@@H](Cn2cncn2)C1 69773595 PJNWLOOKGNYSCH-QGZVFWFLSA-N 341.459 1.657 0 40 EDAB Cc1ccccc1CN(C)C(=O)CN1CCC[C@H](Cn2cncn2)C1 69923494 NGWVNAIICDFMCP-KRWDZBQOSA-N 341.459 1.957 0 40 EDAB CCOC(=O)c1ccc(NS(=O)(=O)c2cn(C)cn2)c(O)c1 69970922 RDUULRAEQNZGHG-UHFFFAOYSA-N 325.346 1.103 0 40 EDAB O=C1COc2c(cccc2C(=O)N2CCC[C@@H](n3ccnc3)C2)N1 69924041 XKDSTBGJFUGDPI-GFCCVEGCSA-N 326.356 1.691 0 40 EDAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc3nsnc23)C1=O 19078290 IUHXJAIVVSJREB-CQSZACIVSA-N 333.373 1.350 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccccc4)[C@H]3C2)no1 306134445 NNNUICZQCIFEFY-KBAYOESNSA-N 341.411 1.860 0 40 EDAB Cn1c(=O)c2cc(NC(=O)c3ccc(F)cc3)cnc2n(C)c1=O 9049280 AKOIAHZDTTVOEP-UHFFFAOYSA-N 328.303 1.024 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1 9853451 DGJKQNJSEKZPAE-UHFFFAOYSA-N 346.836 1.259 0 40 EDAB COc1cc(Br)ccc1CN1C[C@@H](C)O[C@@H](C(N)=O)C1 97081544 IOFWPCJTZBZHIE-NOZJJQNGSA-N 343.221 1.532 0 40 EDAB O=C1N[C@@H](c2ccc(Br)c3cccnc23)N2CCOC[C@H]12 97046627 IOATVDPTOLZRQT-TZMCWYRMSA-N 348.200 1.827 0 40 EDAB CCC[C@@H]1NC(=O)N(Cc2ccc(NS(=O)(=O)CC)cc2)C1=O 97045867 SPIOQLAXFQUBMO-ZDUSSCGKSA-N 339.417 1.669 0 40 EDAB CCc1c(C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cnn1C 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335.314 1.242 0 40 EDAB CN(C)[C@@H](CNC(=O)NCc1nnc2n1CCCCC2)c1ccco1 89312277 DFNMUVFXFVLPAW-ZDUSSCGKSA-N 346.435 1.700 0 40 EDAB CCCn1c(S(=O)(=O)Cc2ccccc2C(F)(F)F)n[nH]c1=O 95393461 GALNBTBDFJDAJP-UHFFFAOYSA-N 349.334 1.974 0 40 EDAB O=C(NCc1ccco1)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 95393387 BZUNTGRUJKCRDS-UHFFFAOYSA-N 342.399 1.660 0 40 EDAB C[C@@H](CNC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1)Cn1cccn1 84638362 XVWXMSFMTDVTJF-STQMWFEESA-N 347.385 1.797 0 40 EDAB Cc1cccc2nc(CN3CC[C@@]4(C3)NC(=O)N(C(C)C)C4=O)cn12 89689074 YQJPRDMLCRFTQG-SFHVURJKSA-N 341.415 1.547 0 40 EDAB O=S(=O)(NCCCN1CCC(O)CC1)c1cccc2ccccc12 89873263 XKDHNVRWKRWQLY-UHFFFAOYSA-N 348.468 1.965 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)NCc1nnc(-c2ccccc2)s1 89904461 JTJNHGQWNYSDOO-LLVKDONJSA-N 343.416 1.685 0 40 EDAB C[C@H](NC(=O)CN1CCN(C)C[C@@H]1C)c1ccc2c(c1)OCCO2 89938952 MUYZAPWSYVEQMC-KBPBESRZSA-N 333.432 1.271 0 40 EDAB CCN1N=C(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)CCC1=O 75607101 WMSDQWRJGCQSCL-ZDUSSCGKSA-N 332.408 1.057 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H]2OC[C@H](CCOc3cccnc3)[C@@H]2C1 306136928 QGXDUYPPPSHLBZ-ZVZYQTTQSA-N 341.411 1.976 0 40 EDAB CC(=O)N1CCN(CC(N)=O)C[C@H]1c1ccc(C(F)(F)F)cc1 72367880 SOCUYORAPIDXTJ-ZDUSSCGKSA-N 329.322 1.396 0 40 EDAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2nnc3n2CCCC3)C1 520438421 MVPOCZPSYHBJBH-OLZOCXBDSA-N 343.435 1.572 0 40 EDAB O=C1c2ccccc2C(=O)N1CC(=O)N1CCCC[C@@]12CCCOC2 1529419972 HVOGETNVMGCDSM-IBGZPJMESA-N 342.395 1.844 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCC[C@@H]2c2ccc(O)nn2)n1 530076048 NDPTUBZHGRDIEW-GFCCVEGCSA-N 331.376 1.985 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC 218511384 DZPXMTWLOUKYEI-VNHYZAJKSA-N 345.848 1.749 0 40 EDAB C[C@]1(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1(Cl)Cl 78986970 IMZDAQUWOJGFNS-IMTBSYHQSA-N 333.137 1.850 0 40 EDAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3cnn(C)c3)CCC(=O)N2C)cc1 72241983 SVAJJFKMYXHMBO-DOTOQJQBSA-N 342.399 1.977 0 40 EDAB Cc1csc(=O)n1CCC(=O)N1CCc2ccccc2[C@H]1CO 127015792 BKBWRAHKFBSYLX-OAHLLOKOSA-N 332.425 1.727 0 40 EDAB Nc1ncc2c(n1)CCN(C(=O)c1ccc(Cn3ccnc3)cc1)C2 562597946 FVMORPYSVPVEKZ-UHFFFAOYSA-N 334.383 1.502 0 40 EDAB Cc1csc(S(=O)(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1 562545833 WIACSLABFMTVIP-GYSYKLTISA-N 344.458 1.161 0 40 EDAB Nc1noc(CCNc2ccccc2S(=O)(=O)C(F)(F)F)n1 76061366 YIMCISIZXQHZDJ-UHFFFAOYSA-N 336.295 1.600 0 40 EDAB COc1ccc(-n2nnc(C(=O)N3CCC(N(C)C)CC3)c2C)cc1 71828418 CBLFDHQXXOHQQD-UHFFFAOYSA-N 343.431 1.751 0 40 EDAB COCCc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)cn1 72121746 DVNNNHFTFRUQDT-HNNXBMFYSA-N 343.431 1.437 0 40 EDAB CCCn1cc(CNC(=O)C(=O)Nc2c(C)nn(C)c2C)c(C)n1 40266233 CTTDTAPDSNHAGV-UHFFFAOYSA-N 332.408 1.207 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)NC[C@@H]2Cc3ccccc3O2)c1 45935880 QIYOKKURAJQILT-INIZCTEOSA-N 345.420 1.965 0 40 EDAB CCCC[C@@H](CC)CNS(=O)(=O)c1nnc(NC(C)=O)s1 225120354 CSWVYQUDUSZCFQ-SNVBAGLBSA-N 334.467 1.991 0 40 EDAB O=C(c1sccc1-n1ccnn1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 571763198 DBIWPEMHMRVGPD-SECBINFHSA-N 345.388 1.172 0 40 EDAB CNC(=O)c1cccc(CNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1 49658417 JTMOOJAQFQTYSK-HNNXBMFYSA-N 346.431 1.056 0 40 EDAB Cc1csc(C(=O)NCCn2nc(C(F)(F)F)n(C)c2=O)c1 85555776 XOSKNQKKMFQVFR-UHFFFAOYSA-N 334.323 1.401 0 40 EDAB O=C(NCc1ccccn1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 40467542 LGBZDNINNJMPSX-UHFFFAOYSA-N 334.401 1.124 0 40 EDAB CCC(CC)c1nnc(NC(=O)N2CC[C@H](S(C)(=O)=O)C2)s1 330032486 OAKRIOQSUJXMGB-JTQLQIEISA-N 346.478 2.093 0 40 EDAB CC1(C)C(=O)Nc2ccc(NC(=O)[C@@H]3CSCCC(=O)N3)cc21 226753255 YUUIOACMOMLUFY-LBPRGKRZSA-N 333.413 1.477 0 40 EDAB CCN(CC)C(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225794836 IFBVCEOMTMQJTD-GFCCVEGCSA-N 328.434 1.718 0 40 EDAB C[C@@H]1CN(C(=O)NCc2ccc(Br)s2)CC(=O)N1C 225689050 YAXRJKYALGPDDQ-MRVPVSSYSA-N 346.250 1.883 0 40 EDAB CCNS(=O)(=O)c1ccc2c(c1)N(Cc1ccc(CO)o1)CC2 191560166 BWOVAHMCYSQKLZ-UHFFFAOYSA-N 336.413 1.633 0 40 EDAB Cc1nc(C)c(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)s1 330893012 YJYXSXXGJOTELN-UHFFFAOYSA-N 327.431 1.220 0 40 EDAB COCCNC(=O)C1=CC2(CCN(C(C)=O)CC2)c2ccccc21 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40 EDAB Cn1cc(CN2CCC3(CC2)C[C@H](OCC2CCOCC2)CO3)cn1 96106682 HUYSCPBDJXRIMC-SFHVURJKSA-N 349.475 1.987 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cnoc3C)C2)no1 96207275 HXZYFAOUHSYUIM-DYVFJYSZSA-N 346.387 1.158 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1C 96193171 UMAGFRUCFVDPCD-UHFFFAOYSA-N 326.418 1.341 0 40 EDAB c1cc(N2CCOCC2)nc([C@@H]2COCCN2Cc2nccs2)n1 96217418 BHPPIZYMDNUACM-ZDUSSCGKSA-N 347.444 1.343 0 40 EDAB Cn1ccnc1CN1CC[C@H]2[C@@H](CC1)OCCN2Cc1cccnc1 96249384 DIORRPHVVRVPHY-ZWKOTPCHSA-N 341.459 1.681 0 40 EDAB COc1ccc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)c(F)c1 580160881 KVCACXIFHKDHFX-CYBMUJFWSA-N 325.336 1.692 0 40 EDAB CN(C[C@@H]1CCC[C@@H]1O)c1cc(N(C)C[C@@H]2CCC[C@@H]2O)ncn1 97096896 GNMVBTANDDXKRY-VGWMRTNUSA-N 334.464 1.671 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(=O)n(-c3ccccc3)n1)C2 97199228 XKJFADXDBQTRBL-CQSZACIVSA-N 349.394 1.482 0 40 EDAB Cc1ccc([C@@H]2[C@H](C(=O)NCc3ccccn3)OCC(=O)N2C)cc1 96181501 MOJIXTPNNCZMFW-QZTJIDSGSA-N 339.395 1.605 0 40 EDAB COc1cc2c(cc1OC)CCN(c1ccc3nncn3n1)CC2 584034261 GLMUIGJLAKYNCR-UHFFFAOYSA-N 325.372 1.747 0 40 EDAB Cn1cc(CN2CCC3(CCC(=O)N3Cc3ccncc3)CC2)cn1 96049392 RGRNLYSBGCZOFA-UHFFFAOYSA-N 339.443 1.972 0 40 EDAB Cc1cc(Br)ccc1CC(=O)N1C[C@@H](CO)OC[C@H]1C 97233846 UKMJJHIYSLSDKB-RISCZKNCSA-N 342.233 1.908 0 40 EDAB Cc1nc(CN2Cc3ccnn3[C@@H](C(=O)NCC3CC3)C2)cs1 247936872 DZEVTGPPVQNLQS-OAHLLOKOSA-N 331.445 1.731 0 40 EDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1C[C@H](C)Cc1ccc2c(c1)OCO2 248139635 BEERMGACMMQTOF-YALNPMBYSA-N 332.444 1.733 0 40 EDAB NC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1 257199696 AANFLRFQJRRJEJ-WCVJEAGWSA-N 337.395 1.229 0 40 EDAB CC(C)c1nnc(CCC(=O)N2CCO[C@@H](c3cccc(N)n3)C2)o1 257266246 MCCUESGVBIAZMW-CYBMUJFWSA-N 345.403 1.703 0 40 EDAB Nc1nc(N)c2c(n1)O[C@@]1(CCCN(Cc3cccc(O)c3)CC1)C2 257211059 BXIXYDPKHHAVCR-GOSISDBHSA-N 341.415 1.706 0 40 EDAB Cc1noc(C)c1CC(=O)NCCn1c(C)nc2sccc2c1=O 253473122 RMGOBWLSXNBMLQ-UHFFFAOYSA-N 346.412 1.730 0 40 EDAB 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EDAB CCS(=O)(=O)NCC[C@H]1CCOC12CN(Cc1cccs1)C2 585103129 RFPVANRDRCSPKA-ZDUSSCGKSA-N 344.502 1.668 0 40 EDAB CN(C)C(=O)COCC[C@H]1CN(C2CCOCC2)Cc2cccn2C1 585095090 DYWJUSNLFSWZKZ-MRXNPFEDSA-N 349.475 1.594 0 40 EDAB CO[C@H]1CCCN(C(=O)CCN2CCOCC2)[C@H]1Cc1ccccc1 585273552 WPTMIJATZAOFOH-OALUTQOASA-N 346.471 1.957 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)c3nccn3C)CCO2)c1 585276010 KSFUWVPLCNXZSL-GOSISDBHSA-N 329.400 1.175 0 40 EDAB COC[C@@H]1CN(C(=O)c2cnn(C)c2)CC12CCN(C(C)C)CC2 585103320 OHGVCSWWFKHAEN-INIZCTEOSA-N 334.464 1.629 0 40 EDAB COc1ccc2c(c1)N(C(=O)CCn1cc(C)cn1)[C@H](C)C(=O)N2 585140117 NDYFXCYOZXQUEJ-GFCCVEGCSA-N 328.372 1.964 0 40 EDAB CCOC(=O)C(C)(C)N(C)C(=O)c1cccc(NS(C)(=O)=O)c1 69743762 OUHYMCJRPLNDFL-UHFFFAOYSA-N 342.417 1.472 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)c1cc(-c3ccco3)on1)C2 71860207 HMINPYULKMXDEP-UHFFFAOYSA-N 339.355 1.989 0 40 EDAB Cc1cc(N2C[C@@H]3CN(C(=O)c4ccncc4F)C[C@H]3C2)ncn1 1776009814 RYCUXPSQVHJQPB-CHWSQXEVSA-N 327.363 1.528 0 40 EDAB Cc1noc(C2CCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)CC2)n1 54703856 ROLWTHNCCUJYQX-CQSZACIVSA-N 332.404 1.343 0 40 EDAB COc1cccc(COCC(=O)N2CCC[C@H](c3nncn3C)C2)c1 48260719 CCVSDOBPUMDKFA-HNNXBMFYSA-N 344.415 1.747 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cncc(Br)c1 49099144 UWSWJHXZXYQVBQ-BDAKNGLRSA-N 326.194 1.570 0 40 EDAB COc1ccc(Br)c(C(=O)NCCc2ncn[nH]2)c1 80581788 RFEOOQXIKHWIKY-UHFFFAOYSA-N 325.166 1.548 0 40 EDAB NC(=O)c1cccc(NC(=O)N2CCC[C@H]2CN2CCOCC2)c1 84374418 PFZGKRMNQSQSSE-HNNXBMFYSA-N 332.404 1.114 0 40 EDAB CCOC(=O)[C@H](C(C)=O)C(c1cccnc1)[C@H](C(C)=O)C(=O)OCC 5568625 HJQNMFUVPNVQPN-XYPWUTKMSA-N 349.383 1.702 0 40 EDAB Cc1nc2ccccc2c2nn(CC(=O)NC3CCCC3)c(=O)n12 12144983 GPJRMXUUJMYYAH-UHFFFAOYSA-N 325.372 1.411 0 40 EDAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)cc2n1 12276499 ITZWHXFURPVZKK-KBPBESRZSA-N 330.388 1.840 0 40 EDAB O=C1CNC(=O)N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 12813850 SGXRJGLAUOVSNK-OAHLLOKOSA-N 326.352 1.645 0 40 EDAB CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 16610180 WHRZLOPWKKCKAE-GFCCVEGCSA-N 328.434 1.539 0 40 EDAB CC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1OC 16610227 FKERWHDNWNGTAL-CYBMUJFWSA-N 342.461 1.929 0 40 EDAB CCc1cc(=O)[nH]c(N2CCN(C(=O)c3ccc(OC)cc3)CC2)n1 19521924 GSAKLCGSZWSQGZ-UHFFFAOYSA-N 342.399 1.303 0 40 EDAB CCOc1ccc(C(=O)N2CC[C@H](n3cc(COC)nn3)C2)cn1 585149666 IJAHMJHFYXNEGV-AWEZNQCLSA-N 331.376 1.305 0 40 EDAB CO[C@]1(COc2ccccc2)CCCN(C(=O)CN2CCOCC2)C1 2037909074 RUSUEZMNKGXIIC-LJQANCHMSA-N 348.443 1.405 0 40 EDAB Cc1nc2ccc(N3CCN(c4ncncc4F)CC3)nn2c1C 2086992669 DNVYOROIUIRWRW-UHFFFAOYSA-N 327.367 1.602 0 40 EDAB Cc1nc2ccc(N3CCN(c4ncnc5n[nH]cc45)CC3)nn2c1C 2087064968 AVLDXDXRUUTDME-UHFFFAOYSA-N 349.402 1.339 0 40 EDAB COC[C@H]1CN(C(=O)c2csnn2)Cc2ncn(CC3CC3)c21 1565551686 UUGVIERYFXHORM-LLVKDONJSA-N 333.417 1.531 0 40 EDAB Cn1nccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 12444230 DTCNGFFEMBBNPF-UHFFFAOYSA-N 336.398 1.686 0 40 EDAB CCCc1nnsc1C(=O)NCc1nc(-c2cnn(CC)c2)no1 575414754 OQZRDZRCCRLMGD-UHFFFAOYSA-N 347.404 1.687 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)N1CCC(c2cncn2C)CC1 1775965758 FVVNEKPQLFQCMW-UHFFFAOYSA-N 330.388 1.147 0 40 EDAB O=C1O[C@@]2(CCCN(S(=O)(=O)c3cccnc3)C2)c2ccccc21 211112976 BJFZGNXYMWYNNU-QGZVFWFLSA-N 344.392 1.932 0 40 EDAB O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)C2CC2)CC1 42383483 DHIULXCAEXFGSU-UHFFFAOYSA-N 342.848 1.519 0 40 EDAB O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(F)c1 44003528 FVFLELWWDAUJEY-UHFFFAOYSA-N 340.420 1.760 0 40 EDAB Cc1nc2c(c(N3CC(Cn4nc(C5CC5)ccc4=O)C3)n1)CCC2 585602492 DPEUMKPYLSNRKG-UHFFFAOYSA-N 337.427 1.844 0 40 EDAB O=C(NCC[C@H](O)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 85436521 WFUSEYHHTSJWSA-AWEZNQCLSA-N 342.351 1.594 0 40 EDAB CCN1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 50122658 JPGHNQKFSBQFIB-UHFFFAOYSA-N 326.400 1.069 0 40 EDAB Cc1cccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 100646818 FHTFXOAUNYOXMX-GIRXQMHSSA-N 329.352 1.674 0 40 EDAB CCn1c(N)c(C(=O)CN(C)Cc2ccc(C)cc2C)c(=O)[nH]c1=O 40464580 KGJCYYOOXYXXBC-UHFFFAOYSA-N 344.415 1.070 0 40 EDAB CC(C)N(CCNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)C1CC1 100796374 ZPHRUARKBVVKRV-IYBDPMFKSA-N 349.475 1.541 0 40 EDAB CCOC(=O)c1c(C)nn2c(=O)cc(CSc3nccn3C)[nH]c12 100834267 NRAKEBHQVXZIKM-UHFFFAOYSA-N 347.400 1.534 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N[C@H]1CCCCNC1=O)=C2 40533903 WSNAWFOPROQCSL-AWEZNQCLSA-N 330.384 1.646 0 40 EDAB CC(C)Oc1ccccc1[C@H](C)NC(=O)CN(C)S(C)(=O)=O 40541239 WQQPQYMCTREWIX-LBPRGKRZSA-N 328.434 1.542 0 40 EDAB O=C(NCCN1CCOCC1)c1nc(-c2cccc3[nH]ccc23)no1 20676145 INEOMELCFBOITC-UHFFFAOYSA-N 341.371 1.280 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NO[C@H]1CCCCO1 101395712 LWDPZACWRZVANK-NHFJXKHHSA-N 328.434 1.819 0 40 EDAB COC[C@@H](C)NC(=O)COC(=O)CSc1nc2ccccc2o1 32945122 GNMSAUUKEYZOHC-SNVBAGLBSA-N 338.385 1.614 0 40 EDAB COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCCCCCC1 42624337 PJNMMMMLNKOZGM-UHFFFAOYSA-N 326.418 1.891 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)n1 587033 GVAZPBYFORIMNJ-UHFFFAOYSA-N 348.432 1.997 0 40 EDAB CC[C@H]1CCCCN1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 42947906 OEHGAAUEGACVFY-AWEZNQCLSA-N 339.461 1.851 0 40 EDAB Cn1cc([C@H](O)CNC(=O)N[C@H](Cc2ccccc2)C2CC2)cn1 78942363 XMWLONVLNBILIQ-IAGOWNOFSA-N 328.416 1.774 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ncn(Cc2ccccc2)n1 2804111 RFWRMWLGUOKJSO-UHFFFAOYSA-N 332.389 1.467 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)Cc2ccccc2Cl)CC1 24775981 KAPXXTVVYOIBSB-UHFFFAOYSA-N 330.837 1.376 0 40 EDAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 43283476 NZTCBXWTEXDPNP-DGCLKSJQSA-N 332.360 1.412 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(C)C)CC2)nc1 4473037 HIGWOWLRBASJNY-UHFFFAOYSA-N 340.493 1.643 0 40 EDAB CC[C@H]1CN(C(=O)c2cc(F)cc3[nH]cnc23)C[C@@H]1N1CCOCC1 84736003 OWASEJNTPUNSCL-LRDDRELGSA-N 346.406 1.885 0 40 EDAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 6612824 DSROVTISCDSDPJ-LLVKDONJSA-N 346.387 1.070 0 40 EDAB O=C([C@@H]1CCCN1CC[S@@](=O)c1ccccc1)N1CCOCC1 106658050 AOCMDQVBSNJPIQ-HJPURHCSSA-N 336.457 1.117 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]1O2 107264539 WUTCFCPXEZWYDD-OKZBNKHCSA-N 338.411 1.382 0 40 EDAB CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H]1CCCOC1)C2=O 55920763 WHOQLRNYXRCWBI-JZLYGMAVSA-N 337.420 1.030 0 40 EDAB Cc1nn(C)c2sc(C(=O)N[C@@]3(C(=O)O)CCSC3)cc12 43509057 BXPQRBPTQZJBLO-ZDUSSCGKSA-N 325.415 1.633 0 40 EDAB CS(=O)(=O)Nc1ccc(CNC(=O)OCC(F)(F)F)cc1 56323789 KJORQUMMQXPXQI-UHFFFAOYSA-N 326.296 1.847 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ccccn1)n2C 8725259 ISAUDEUIZOYLDJ-UHFFFAOYSA-N 345.428 1.911 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(OC)c1 12551033 OCEATPRHDSTSSA-STQMWFEESA-N 344.367 1.594 0 40 EDAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@H]1CCS(=O)(=O)C1 44721140 HWFWWTBRHRXYKD-LQYUOIDQSA-N 345.424 1.436 0 40 EDAB CC(C)CNC(=O)CN1CCN(Cc2cn3ccccc3n2)CC1 44890639 MJXFVPHVLHLAKD-UHFFFAOYSA-N 329.448 1.224 0 40 EDAB O=C(NCC1CC1)[C@@H]1CCCN(CC(=O)N2CCc3ccccc32)C1 47979380 DHJAMGRDOUFTMC-QGZVFWFLSA-N 341.455 1.814 0 40 EDAB CCN(C[C@H]1CCCO1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 58210863 NZRAKWTUFSJLJI-CYBMUJFWSA-N 345.399 1.107 0 40 EDAB O=C(CN1C(=O)c2ccccc2CS1(=O)=O)NCc1ccccc1 58281436 TVXGZZDLMGQUAK-UHFFFAOYSA-N 344.392 1.289 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)C3CCCCC3)CC2)on1 58224145 ANCHALKJSUUZJI-UHFFFAOYSA-N 334.420 1.646 0 40 EDAB COc1ccc(/C=C/C(=O)N2CCC(C(N)=O)CC2)c(OC)c1OC 9973427 XRHRRSPSFNBXSE-FNORWQNLSA-N 348.399 1.450 0 40 EDAB CCCn1c(S[C@H](C)c2nnnn2-c2ccccc2)n[nH]c1=O 44919307 TZWPHYHQJJFHKE-SNVBAGLBSA-N 331.405 1.810 0 40 EDAB COc1ccc(CN2CCN(C[C@@H](O)Cn3cccn3)CC2)cc1F 44975171 QINFNTCVMCZAFI-MRXNPFEDSA-N 348.422 1.210 0 40 EDAB COc1ccc([C@H](C)NC(=O)N[C@@H](C)c2nncn2C)c(OC)c1 44969047 SYIOIQCCTOJYPA-QWRGUYRKSA-N 333.392 1.954 0 40 EDAB CC(=O)NCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 44953066 MTSBNFDLVHNWRN-UHFFFAOYSA-N 344.390 2.000 0 40 EDAB O=C(NCCNC(=O)c1ccccc1F)NCCc1cccnc1 58313492 ZWZUXHCLAPYFPQ-UHFFFAOYSA-N 330.363 1.492 0 40 EDAB O=C1[C@H](NC[C@H]2CNc3ccnn3C2)CCN1Cc1ccccc1 58345368 XQCUHFAYEPSFEB-JKSUJKDBSA-N 325.416 1.316 0 40 EDAB Cn1cc(CNC[C@H](O)CN2CCCCC2)c(-c2cccnc2)n1 97160068 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1.184 0 40 EDAB CC(C)n1ncc2cc(C(=O)NC[C@@H](C)N3CCOCC3)cnc21 29961306 RWLRPNRCNSAUCX-CYBMUJFWSA-N 331.420 1.463 0 40 EDAB Cc1cccc(N2CCN(C(=O)N[C@H](C)c3nncn3C)CC2)c1 46963800 VEOUPUCEIVKKEO-CQSZACIVSA-N 328.420 1.716 0 40 EDAB Nc1nc(N)nc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)n1 12254593 LMXAICJBIJTAJE-JTQLQIEISA-N 334.380 1.287 0 40 EDAB CCC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)c2ccccc2)C1 47209721 FENFPJNNCZMSRF-OAHLLOKOSA-N 331.416 1.181 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2cnn(C)c2-n2cccc2)C1 48260735 NAXVYWQXWJTSTE-CYBMUJFWSA-N 339.403 1.359 0 40 EDAB Cc1cnn(CCCNC(=O)N2CCC[C@H](Cc3nccn3C)C2)c1 95424473 XCOHZLWCCUUYNX-MRXNPFEDSA-N 344.463 1.979 0 40 EDAB CN(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 13570018 GHMKHUNOKKJIIN-UHFFFAOYSA-N 339.804 1.994 0 40 EDAB O=C(Nc1nnc(C(F)(F)F)[nH]1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 65437241 INVXSLVPZCSBQM-SCSAIBSYSA-N 345.203 1.173 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CCCN(c3ncccn3)C1)C2 65463405 JSWKREBCXYBDRX-CABCVRRESA-N 340.431 1.329 0 40 EDAB CCOC(Cn1cc(C(=O)N=c2[nH]c3ccccc3[nH]2)nn1)OCC 65567089 AOTAEXZDNWEBRR-UHFFFAOYSA-N 344.375 1.228 0 40 EDAB C[C@@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@@H](C)O1 66891458 ILKJPYOAQKOYTK-HUUCEWRRSA-N 347.463 1.152 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(CNCc3cc[nH]n3)cc2)C[C@H](C)O1 66990590 WYMVMKOXXWDODY-KBPBESRZSA-N 328.416 1.949 0 40 EDAB CCNC(=O)CN(CC)C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 67477632 DRMFFXQFWKIRIX-INIZCTEOSA-N 345.443 1.205 0 40 EDAB C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)NCc1ccco1 7705855 MBUZZJBIWURJDM-LLVKDONJSA-N 331.324 1.913 0 40 EDAB Cc1ccc(OC[C@@H](O)CN[C@@H]2CCCN(c3cccnn3)C2)cc1 71859685 PWNYCYUTHGOXCI-SJORKVTESA-N 342.443 1.783 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)c1cc(=O)[nH]c2ccc(Cl)cc12 71897917 ABMBMTXTFAZKLH-SNVBAGLBSA-N 347.802 1.922 0 40 EDAB C[C@H]1C[C@@H](N2CCN(C(=O)Cc3ccccc3Cl)CC2)C(=O)O1 71830906 KMBNWUZTYHPUKB-SWLSCSKDSA-N 336.819 1.731 0 40 EDAB Cc1nc(C)c(CC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c(=O)[nH]1 71827162 PDEOPOYGKCVBFI-YVEFUNNKSA-N 341.411 1.918 0 40 EDAB CN(C[C@H]1CN(Cc2noc(C3CC3)n2)CCO1)c1cccnn1 83859339 KWCABSOSGNOBJH-ZDUSSCGKSA-N 330.392 1.074 0 40 EDAB COCC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 71920118 OGRHHMMFLOVJEV-JTQLQIEISA-N 347.412 1.623 0 40 EDAB Cc1nc(Cl)cc(N2CCC[C@H]2C(=O)N2CCSCC2)n1 71904184 GIEWBMMGFSUCFN-NSHDSACASA-N 326.853 1.983 0 40 EDAB CS[C@H](C)C(=O)NCC1CCN(c2ncccc2C(N)=O)CC1 71916651 MHVNAKKDCBBHBV-LLVKDONJSA-N 336.461 1.265 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1Cc1ccccc1 69558126 IIEYYPNSOVGYQU-OAHLLOKOSA-N 327.384 1.160 0 40 EDAB CCn1c(Cn2c(-c3ncccn3)noc2=O)nc2c(F)cccc21 69569740 RPVZCJYDNWUAOZ-UHFFFAOYSA-N 340.318 1.850 0 40 EDAB Cn1ccnc1[C@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccc(F)cc1 69516714 RUTJVEULWCAKAD-SWLSCSKDSA-N 330.363 1.291 0 40 EDAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)Cc1ccc(-n2cnnn2)cc1 69527633 SGBQSZIPXGWOEE-SJORKVTESA-N 349.394 1.886 0 40 EDAB NC(=O)c1ccn(-c2ccccc2NS(=O)(=O)c2ccccc2)n1 69697707 KQMPHTRXMVNCAH-UHFFFAOYSA-N 342.380 1.772 0 40 EDAB CNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(C)c2)CC1 69843771 ULLDPMILCVTRIU-IRXDYDNUSA-N 329.444 1.425 0 40 EDAB Cc1ccc(-c2nnc(SCCNS(C)(=O)=O)o2)c(C)c1 69972706 ZKDZOMFYQAZBDC-UHFFFAOYSA-N 327.431 1.995 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CNC1(C(=O)OC(C)(C)C)CCCC1 69978963 FQVDKHYCGWRNJT-UHFFFAOYSA-N 341.452 1.855 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)N(Cc1cccs1)C1CC1 69922821 YPFFHCIOXPEBER-OAHLLOKOSA-N 345.472 1.995 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)CN1Cc3ccccc3C1=O)C2 69921703 BEIDLIFCFATULK-UHFFFAOYSA-N 339.399 1.400 0 40 EDAB COC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1 8733386 YHXUKCQTJUHBBX-UHFFFAOYSA-N 330.362 1.799 0 40 EDAB COc1cccc([C@@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)c1OC 9088576 CJIIWDWXAOSYBN-VIFPVBQESA-N 347.396 1.983 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)N(CC3CC3)CC3CC3)C2=O)cn1 95398415 KHMANLPTTSGAHJ-HNNXBMFYSA-N 331.420 1.357 0 40 EDAB Cn1cc(C(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)ccc1=O 95429901 AIONWPRQOQIOGF-INIZCTEOSA-N 330.359 1.863 0 40 EDAB O=C(O)[C@@H]1COCCN1C(=O)c1ccc(Br)c(F)c1 88375985 XSHJHQWPCVUDOQ-JTQLQIEISA-N 332.125 1.514 0 40 EDAB O=S1(=O)CC[C@@H](N2CCN(Cc3cccc(F)c3F)CC2)C1 95961514 GMNPCJULSHAEOX-CYBMUJFWSA-N 330.400 1.270 0 40 EDAB CNC(=O)COC1CN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)C1 75094006 DVDLCQDOBOPWSZ-CYBMUJFWSA-N 344.333 1.696 0 40 EDAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)c(=O)[nH]1 75118349 BUSFKEYOEZZVIJ-UHFFFAOYSA-N 325.412 1.950 0 40 EDAB NC(=O)[C@H]1CCN(c2ncccc2C(=O)N2CCc3ccccc32)C1 89861308 HWXPEJAHDGHAQH-AWEZNQCLSA-N 336.395 1.596 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N(C)C)C1 89954639 UCBDSRICVPGEQG-KBPBESRZSA-N 338.477 1.661 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)C[C@H]1C 89939173 SWWGXZNYMLDXSX-GHMZBOCLSA-N 340.807 1.596 0 40 EDAB Cc1nnc(O)c(C(=O)NCC2(N3CCOCC3)CCCCC2)c1C 75507833 RCFYKSWRJOZZJH-UHFFFAOYSA-N 348.447 1.564 0 40 EDAB C[C@@H](C(=O)Nc1ncccn1)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 76040451 PYYTZHRKYSFGLU-OLZOCXBDSA-N 349.435 1.745 0 40 EDAB C[C@H]1C[C@@H](NC(=O)NCc2nccn2C)C(=O)N1c1ccccc1 76088166 LFJRQEYATPUMAV-GXTWGEPZSA-N 327.388 1.413 0 40 EDAB CCc1noc([C@H](C)N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1 76055915 VWABHMPOXQFYIC-KCQAQPDRSA-N 335.452 1.177 0 40 EDAB C[C@H]1c2nc(C(=O)NCc3ncccn3)cn2CCN1CC1CCC1 306143688 YJCQXHUQYJQTJZ-ZDUSSCGKSA-N 340.431 1.780 0 40 EDAB O=C(O)CN1C(=O)N/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O 408594760 PBCUKVISYLHQEL-KRXBUXKQSA-N 331.111 1.676 0 40 EDAB COc1ccccc1N1C[C@@H](C(=O)N2CCN(C)C(C)(C)C2)CC1=O 514616684 DMSNDIMGAAGIFR-AWEZNQCLSA-N 345.443 1.601 0 40 EDAB COc1ccc(Oc2cc(C)nc(C3CN(S(C)(=O)=O)C3)n2)cc1 72387134 NHNSQAILYUXTIJ-UHFFFAOYSA-N 349.412 1.945 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c1 551899409 FFZUEPYCFVVFBE-BRWVUGGUSA-N 339.457 1.936 0 40 EDAB Cc1cc(S(C)(=O)=O)cc(C(=O)NCc2cccc(CO)n2)c1C 565202281 ZKMVJVVYXXOQFF-UHFFFAOYSA-N 348.424 1.524 0 40 EDAB O=C(N(CCO)Cc1cc(Br)ccc1F)C1(O)CCC1 185624408 HLNZPFZDWSKXHD-UHFFFAOYSA-N 346.196 1.824 0 40 EDAB COc1cc(F)ccc1S(=O)(=O)NC[C@H]1CCNCC1(F)F 566573078 XGROBFISZWZJRA-SECBINFHSA-N 338.351 1.357 0 40 EDAB CNC(=O)c1cc(C)nc([C@]2(C)CCCN2C(=O)C2CCOCC2)n1 72388495 HALDAGNIEWGSNY-SFHVURJKSA-N 346.431 1.409 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2CC=CC[C@H]2C)s1 225470184 APOHELWMSMIDTQ-NXEZZACHSA-N 343.426 1.942 0 40 EDAB CC(C)CN1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225468012 JIMVELSGIPJRGL-UHFFFAOYSA-N 339.505 1.915 0 40 EDAB biogenic,in-vitro COCCn1nc(C(=O)N2CCC[C@H]2c2ccncc2)ccc1=O 42796541 VURMQLVERSFSTM-HNNXBMFYSA-N 328.372 1.262 0 40 EDAB CC1(C)Oc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2NC1=O 46089292 USNUVUWMVZNJNS-JTQLQIEISA-N 340.401 1.253 0 40 EDAB N[C@]12CCC[C@H]1CN(C(=O)c1cccn(CC(F)(F)F)c1=O)C2 1580158600 UOOUJEJIEMCMFM-HZMBPMFUSA-N 329.322 1.364 0 40 EDAB CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccnc1 192838828 BBCAASIZQAMHTM-UHFFFAOYSA-N 338.360 1.979 0 40 EDAB CCN1CCCN(C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 195552306 JKBPPYNXBVLDOI-QGZVFWFLSA-N 340.489 1.325 0 40 EDAB CC(C)c1nnc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)o1 96467951 UGDVVRSTUFDGSG-UHFFFAOYSA-N 337.343 1.532 0 40 EDAB O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(CC1CCOCC1)C2 96218528 CYXOGXUCAHFXQS-QFBILLFUSA-N 345.443 1.325 0 40 EDAB Cc1csc(CN2CC[C@H]3[C@H](Cc4n[nH]c(C)n4)OC[C@H]3C2)n1 96220014 BZNMKQHJFRURCD-MCIONIFRSA-N 333.461 1.958 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C2CCOCC2)cc1 578010085 WLQCNBUIDCTXNX-OAHLLOKOSA-N 339.413 1.965 0 40 EDAB CCCS(=O)(=O)N1Cc2ccnn2C[C@H](COCC2CC2)C1 96067278 DQXKSVJVPVMKFY-CQSZACIVSA-N 327.450 1.481 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(C[C@H](Nc3ncccc3F)CO2)C1 96223021 JQYVLJQTYOYNTK-WFASDCNBSA-N 343.424 1.606 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)[C@H]1Oc3ccccc3O[C@H]1C)CC2 97198561 KAWOSNMHNBFVHA-IETSOEAISA-N 328.372 1.246 0 40 EDAB O=C(NCCc1ccccn1)[C@@]12CCO[C@@H]1CCN(C1CCC1)C2 96038831 XXWOPLMIAZJPHF-IEBWSBKVSA-N 329.444 1.774 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)NC(=O)c2cccnc2)cc1OC 94992919 VDAYICXSDCZJKJ-LBPRGKRZSA-N 343.383 1.534 0 40 EDAB COc1ccc(CN2CCCn3cnc(COCCO)c3C2)cc1 96059012 JTMFQZPXPPAHEV-UHFFFAOYSA-N 331.416 1.807 0 40 EDAB COc1ccccc1N1CCN(C(=O)c2cc3n(n2)CCCO3)CC1 90583579 OJSMNJLLSALZJE-UHFFFAOYSA-N 342.399 1.637 0 40 EDAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CC(F)(F)C3)C2)o1 96209097 MDEHXNOSYQCHSL-CJNGLKHVSA-N 340.370 1.904 0 40 EDAB CC[C@H](C)[C@H](NC(=O)CCn1cnnn1)c1nc2ccccc2[nH]1 583652575 QPOQMCORBGTGQP-NHYWBVRUSA-N 327.392 1.843 0 40 EDAB CCN1CCC[C@H]1CNC(=O)c1ccc(C)c(C)c1-n1cnnn1 95473509 OKRBJGBUPHSLKF-AWEZNQCLSA-N 328.420 1.493 0 40 EDAB CN(c1ncccn1)[C@@H]1CO[C@@]2(CCCN(Cc3cnn(C)c3)C2)C1 96223437 ZALLUBJAVLKOLJ-WMZOPIPTSA-N 342.447 1.470 0 40 EDAB O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(Cc3ccsc3)C[C@H]21 96065238 DZBHIFQAORTTFS-KFWWJZLASA-N 344.440 1.871 0 40 EDAB Cc1cc(CN(C)C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)no1 96403787 WZLYSIDEKJOKRW-GFCCVEGCSA-N 325.434 1.889 0 40 EDAB Cc1ccc(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)o1 96067091 MPQIXFALECIBTD-CYBMUJFWSA-N 326.360 1.348 0 40 EDAB O=C1NC2(CCN(C(=O)c3cnccn3)CC2)C[C@@H]1c1ccncc1 96199558 YRYQNFUBCBLIFF-CQSZACIVSA-N 337.383 1.150 0 40 EDAB Cn1ccc(C(=O)N2Cc3cncn3C[C@H](COCC3CC3)C2)n1 96207682 UCGJNNOMEPOFSD-CQSZACIVSA-N 329.404 1.315 0 40 EDAB COC(=O)[C@@H]1C=CCN1C(=O)[C@H]1ON=C(c2ccc(F)cc2)[C@H]1C 247975833 UWDZNMXAMYVMPA-DGFSRKRXSA-N 332.331 1.505 0 40 EDAB Cc1noc(CNC(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)n1 244983854 ITZLVTPDELWMRN-SNVBAGLBSA-N 338.751 1.524 0 40 EDAB O=C(CN1Cc2ccnn2[C@H](CN2CCCCC2)C1)N1CCCC1 247759864 GPOWLNQVNZLYEY-QGZVFWFLSA-N 331.464 1.348 0 40 EDAB CNC(=O)C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247977326 WNLVKVHANSFEQG-AWEZNQCLSA-N 328.372 1.305 0 40 EDAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(N)C(=O)O)cc1 242728117 YTWWPAWCLSQKMQ-RYRKJORJSA-N 345.420 1.971 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)CC 252513919 AVRKSDQXIJUDCM-IIAWOOMASA-N 341.429 1.104 0 40 EDAB CNc1cccc([C@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)n1 257203653 ARAMEWLBFZHECM-CYBMUJFWSA-N 330.392 1.050 0 40 EDAB CN(C)C(=O)[C@H]1CN(Cc2ccncc2)CCN(C2CCOCC2)C1 257293364 QPDSIVJVDXEYHC-KRWDZBQOSA-N 346.475 1.083 0 40 EDAB CN(C(=O)CCOc1ccccc1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257273237 NFUOFJHKSQDTGI-ZHALLVOQSA-N 332.444 1.902 0 40 EDAB Cc1ccc(Cl)c(OCC(=O)N[C@@H]2CCCC[C@@H](O)[C@@H]2O)c1 257293781 QRDZJVOOUBYQDF-XJKCOSOUSA-N 327.808 1.808 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)CCC(=O)Nc1c(F)cccc1F 585121746 YAUNWVIRJAOZQU-UHFFFAOYSA-N 339.342 1.421 0 40 EDAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1ccccn1 585121523 RQEHVZJUGRDBHV-KSSFIOAISA-N 349.431 1.501 0 40 EDAB CCn1cnc2c(NCc3c(C)nc4cc(O)nn4c3C)ncnc21 585134702 GYWFPTVAZZAUQM-UHFFFAOYSA-N 338.375 1.823 0 40 EDAB Cc1cc(N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n2ncnc2n1 585132639 IIDQSDPBOPQGPN-LOWVWBTDSA-N 330.392 1.852 0 40 EDAB Cc1cc(CC[C@H]2CCCN2C(=O)c2cnc(O)nc2O)ccn1 257287832 PRRMONOYUKYGOP-CYBMUJFWSA-N 328.372 1.829 0 40 EDAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3cn(C)cn3)C[C@@H]21 257278692 ODGHGESQBVNCGW-VNHYZAJKSA-N 326.404 1.197 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cc(O)nc(C)n3)C2)cc1 257226250 FJUYJWYVKDIBHR-HNNXBMFYSA-N 349.412 1.561 0 40 EDAB CC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H](C(N)=O)C1 257310813 UGRRPCHMXBQSGZ-ZDUSSCGKSA-N 343.349 1.471 0 40 EDAB COc1cccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1 260902866 XOGWOLGERDUHRY-GFCCVEGCSA-N 328.434 1.622 0 40 EDAB C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@H]1Cc2cc(F)ccc2NC1=O 1616037488 BVEACNWGCGRYOG-LERXQTSPSA-N 336.363 1.247 0 40 EDAB CN1CCCN(C(=O)[C@H]2CN3CC4CC3(CO2)C4)c2ccc(F)cc21 1616040545 NAZMJOUHHLTFGC-IUNXBHMESA-N 345.418 1.862 0 40 EDAB O=C(O)[C@@H](F)[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCC3)C1 1614994393 LPNYJJRINQUXGA-PWSUYJOCSA-N 329.349 1.055 0 40 EDAB CCN(CC)C(=O)CS(=O)(=O)c1cncc(Br)c1 1615588897 UMBKONQETRYXAO-UHFFFAOYSA-N 335.223 1.486 0 40 EDAB COC1CCC(C)(CNC(=O)N2CCC3(CC2)NC(=O)CO3)CC1 1615591174 QHRLJFZEJVVSKD-UHFFFAOYSA-N 339.436 1.230 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 575406802 UDEYPYQNTIIPKM-IVMMDQJWSA-N 342.399 1.722 0 40 EDAB COC(=O)c1oc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C 27224007 KZUREWIOEISOBR-CQSZACIVSA-N 336.388 1.198 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)CCn1nc(C)c(C)c1C 585279728 YEKHJVGWVWTLNC-KRWDZBQOSA-N 336.436 1.081 0 40 EDAB Cc1cccc(O[C@@H]2CCC[C@H](NCCCN3CCOCC3)[C@H]2O)c1 585289718 VZEJXVQGCZPIFS-XUVXKRRUSA-N 348.487 1.968 0 40 EDAB O=C(NCCn1nc2c(cc1=O)CCC2)[C@H]1CCc2ccccc2O1 585150543 PGNAVOOMGWDOPO-QGZVFWFLSA-N 339.395 1.242 0 40 EDAB CC1(C)NC(=O)N(CC(=O)NCC(C)(C)c2ccccc2F)C1=O 65621056 KLPOZVUSZFKYBE-UHFFFAOYSA-N 335.379 1.550 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(c3ncnc4c3cnn4C)CCO2)n1 69349745 WGECYBJDKUFGRQ-CYBMUJFWSA-N 327.392 1.082 0 40 EDAB CC(C)c1ncncc1C(=O)N1CCN(Cc2cccnc2)CC1 71833062 MCALBRZONQIYIP-UHFFFAOYSA-N 325.416 1.953 0 40 EDAB CCc1ccc2nc(NC(=O)N3CCN(CCO)C(=O)C3)sc2c1 72306207 IKFDDTWVXZMQST-UHFFFAOYSA-N 348.428 1.527 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1CC(F)(F)F 44893778 HFQYQTWASFDUIV-SNVBAGLBSA-N 338.351 1.584 0 40 EDAB Fc1cncnc1N1CCN(c2cc(C(F)(F)F)ncn2)CC1 1148898487 JILGYIZAXNCWLJ-UHFFFAOYSA-N 328.273 1.751 0 40 EDAB CN1CCC(N(C)CCN(C)C(=O)NCCc2ccccc2)CC1 47671895 CVLBVYMFFHVSDJ-UHFFFAOYSA-N 332.492 1.897 0 40 EDAB C[C@H](Nc1ncnc2c1cnn2C)c1cccc(S(N)(=O)=O)c1 54865046 WAQWTZWQTMIVDD-VIFPVBQESA-N 332.389 1.184 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC(Oc2ccccc2)CC1 55090347 AFAQMUZFNDKKPW-CYBMUJFWSA-N 338.429 1.427 0 40 EDAB C[C@@H](Nc1ccc(OCC(F)(F)F)cc1)C(=O)N1CCNC1=O 40479609 FJMRGTVDLYRACX-SECBINFHSA-N 331.294 1.980 0 40 EDAB CNC(=O)c1ccc(CN2CC[C@@H](N(C)Cc3noc(C)n3)C2)cc1 76047338 ODDHOBCTGTTWPL-MRXNPFEDSA-N 343.431 1.444 0 40 EDAB Cc1nc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c2cc[nH]c2n1 584797973 YYCYLPORUGUGPR-LBPRGKRZSA-N 337.449 1.374 0 40 EDAB O=S(=O)(Nc1cncc(N2CCCC2)n1)c1c[nH]c2ccccc12 585135610 SMIZACWOLZJXEQ-UHFFFAOYSA-N 343.412 2.359 0 40 EDAB COC(=O)Cc1cc(=O)[nH]c(NC(=N)Nc2ccc(C)c(Cl)c2)n1 13634066 RWXWRHRCSLVFQD-UHFFFAOYSA-N 349.778 1.906 0 40 EDAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2cccc(F)c2)n1 13960252 KRGONKNMLGXJML-CRWXNKLISA-N 342.330 1.132 0 40 EDAB CC1(NC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)CCC1 19461160 BNBGPYXVHVQMQE-HNNXBMFYSA-N 333.407 1.575 0 40 EDAB COc1ccccc1C(=O)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19568865 IICGBNCAHCAQDX-CYBMUJFWSA-N 338.411 1.761 0 40 EDAB CCCn1ccc(C(=O)N2CCC[C@@H](Cc3nccnc3N)C2)n1 1848353840 UQIPPVOOKGTVPP-ZDUSSCGKSA-N 328.420 1.760 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](Oc3cnccn3)C2)CC1 225469205 LAWYVFXWDYQDNV-OAHLLOKOSA-N 332.404 1.105 0 40 EDAB O=C(c1cc2n(n1)CCCC2)N1CCN(C(=O)c2cccs2)CC1 225601762 IUUXKFXBYZMVRT-UHFFFAOYSA-N 344.440 1.879 0 40 EDAB Cc1cc(C(=O)NC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)o1 575614909 AFCGMNDUSUTQQN-CQSZACIVSA-N 340.445 1.278 0 40 EDAB CN(CCO)[C@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 3180622 OVKVLDCHODEXPC-GOSISDBHSA-N 348.468 1.804 0 40 EDAB COc1nn(C)cc1C(=O)N1CC[C@H](COc2ccc(C)nn2)C1 1888856560 VDWOLMKTBKLNEW-LBPRGKRZSA-N 331.376 1.068 0 40 EDAB COc1cc2ncnc(N3CC(Cn4ccnc4)C3)c2cc1OC 1889175247 PJQXIATUTZKQEG-UHFFFAOYSA-N 325.372 1.980 0 40 EDAB CC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1nnc(O)c3ccccc13)C2 1025940426 IHNKJTQBSCGVSS-CQDKDKBSSA-N 340.383 1.465 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1Cc1ccc(-n2cccn2)cc1 21620329 XDWHULWHHMDYHV-INIZCTEOSA-N 328.397 1.800 0 40 EDAB COCCn1cnnc1S[C@H](C)C(=O)NCc1cccs1 24067760 VYCCNFVGBKWWBA-SNVBAGLBSA-N 326.447 1.783 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCN1 53254749 BZCZLLPWIZBRIL-JTQLQIEISA-N 349.250 1.488 0 40 EDAB O=C(c1cc[nH]n1)N1CCC2(CCN(Cc3nccs3)C2)CC1 1035163325 QUOMWRQHINRTML-UHFFFAOYSA-N 331.445 1.995 0 40 EDAB CC(C)N(C)CC(=O)N1Cc2[nH]nc(COc3cccnc3)c2C1 1565547922 YMLXUAGHBXUNOP-UHFFFAOYSA-N 329.404 1.566 0 40 EDAB COc1ccccc1CCNC(=O)c1cc2cccnc2n(C)c1=O 5303561 FKSYXSVLCBAGDB-UHFFFAOYSA-N 337.379 1.915 0 40 EDAB Cc1nc(CN2C[C@@H]3CN(C(=O)N4CCCC4)C[C@@H]3C2=O)cs1 2055772126 ZOBQNKMBAHUOKA-OCCSQVGLSA-N 334.445 1.558 0 40 EDAB COc1ccccc1OCC(=O)NCCn1cnc(C2CC2)cc1=O 575413772 GXWNNKFVSZNZLM-UHFFFAOYSA-N 343.383 1.325 0 40 EDAB COCCOc1ncccc1CNC(=O)[C@@H]1C(=O)NC[C@@H]1C(C)(C)C 606440714 TWMJDZIXPJQVQT-UONOGXRCSA-N 349.431 1.131 0 40 EDAB COC(=O)c1ccc(C(=O)N2CC[C@@H](Oc3cnsn3)C2)cc1 618256052 CFEGJSVPQZXAKQ-GFCCVEGCSA-N 333.369 1.618 0 40 EDAB CS(=O)(=O)N1CCc2nc3ncc(Br)cc3cc2C1 2298060327 USJYBCUHGLZNBC-UHFFFAOYSA-N 342.218 1.710 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCC(=O)NCc2cccnc2)cc1 10383269 BDBDOKNPDBDMBS-UHFFFAOYSA-N 347.440 1.765 0 40 EDAB O=C(N/C(=C\c1cccs1)C(=O)N1CCOCC1)c1ccco1 4837270 QMKZONHTMDXETG-QBFSEMIESA-N 332.381 1.971 0 40 EDAB CN1CCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccco2)CC1 19927777 XLAPPGWXYKKUKX-OWBHPGMISA-N 329.356 1.418 0 40 EDAB O=C(N[C@H]1Cc2ccccc2NC1=O)c1n[nH]c(=O)c2ccccc12 20533658 OMTGPLZICBHVQR-AWEZNQCLSA-N 334.335 1.216 0 40 EDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3cncnc3)C2)n(C(C)C)n1 2332241565 HLWMNIYKBYIAKH-NWANDNLSSA-N 344.419 1.384 0 40 EDAB CCN1CCN(C(=O)/C(=C/c2ccccc2)n2nnnc2C)CC1 50122555 NXYXCVGQHISDLW-SSZFMOIBSA-N 326.404 1.144 0 40 EDAB CCN(CC)C(=O)N1CCN(Cc2csc(NC(C)=O)n2)CC1 30968363 PIUTXIBQXQXRHG-UHFFFAOYSA-N 339.465 1.681 0 40 EDAB O=C(NCCOc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 31288043 JPIXQPTXUDWZEC-CYBMUJFWSA-N 346.358 1.962 0 40 EDAB CCOc1ncccc1C(=O)NC[C@H](O)c1cc(OC)ccc1OC 31338772 XLXPWXSTSUCOMK-HNNXBMFYSA-N 346.383 1.961 0 40 EDAB CC(=O)c1cccc(OC[C@@H](O)Cn2nnc3ccccc3c2=O)c1 40477424 AIWCLAOZLUHJPP-AWEZNQCLSA-N 339.351 1.434 0 40 EDAB CC[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1OC 40539915 AYLNEUYPMCPKKD-YPMHNXCESA-N 326.418 1.633 0 40 EDAB CC(=O)N[C@H](C(=O)NCc1ccnc(-n2cccn2)c1)C1CCCC1 40510780 FRUYHFYWNMYKQR-KRWDZBQOSA-N 341.415 1.578 0 40 EDAB Cc1ccc([C@@H]2C=C(C(=O)O)Nc3nnnn32)cc1Br 101675211 PDFMNJQEMUYMOA-JTQLQIEISA-N 336.149 1.727 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2cc(Br)ccc2F)C1 41126977 NNMXHEDZWNAWTI-DTWDLQQISA-N 341.180 1.935 0 40 EDAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCc1ccccn1 21773888 DFQGXVYNHJTFOG-UHFFFAOYSA-N 337.379 1.817 0 40 EDAB Cc1ccc(-n2nc(CO)c(C(=O)NC[C@H]3CCCO3)n2)cc1C 21783367 CGETWPCQTYDVMN-CQSZACIVSA-N 330.388 1.285 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCC(c2ccccc2)=N1 102662990 RFMXJRVOHJFZRJ-GASCZTMLSA-N 337.379 1.574 0 40 EDAB Cn1c(Cl)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C 495081 ZABLAGFBABZKEO-UHFFFAOYSA-N 339.182 1.789 0 40 EDAB CC(C)n1nccc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 22289930 NBCWCTWLTKUXGV-UHFFFAOYSA-N 333.392 1.657 0 40 EDAB C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N(C)Cc1cccs1 22989405 JUKCOCAPXQOHIB-NSHDSACASA-N 340.445 1.801 0 40 EDAB Cn1c(N)c(-c2csc(Nc3ccccc3)n2)c(=O)n(C)c1=O 9117714 JYVMQMLTQOQHMW-UHFFFAOYSA-N 329.385 1.533 0 40 EDAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)O)cc1)c1ccco1 61720244 FXDRWMOPNDBQQY-ZDUSSCGKSA-N 345.355 1.335 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)N[C@@H](C)Cc3ccco3)CCO2)n1 78879719 RMZFDANLYSRGTM-HUBLWGQQSA-N 347.419 1.215 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3ccnc(N(C)C)c3)CCO2)n1 78889067 XWBHJKBJKRTLSW-ZDUSSCGKSA-N 344.419 1.603 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)CC[C@H]3CCCCO3)C2)n[nH]1 78901647 URERUZOWGWVODI-CHWSQXEVSA-N 334.420 1.564 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1(C)C 78942392 URUPGRHVGIKKSW-GJZGRUSLSA-N 336.436 1.705 0 40 EDAB COC(=O)[C@]1(NC(=O)c2sc(C)cc2OC(F)F)CCOC1 79071387 MZKQCJRSDIODBR-ZDUSSCGKSA-N 335.328 1.720 0 40 EDAB COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)n[nH]c1C 79464685 ZPDWASVARRTMFI-JTQLQIEISA-N 336.344 1.842 0 40 EDAB O=C(CN1CCN(CC(F)(F)F)CC1)Nc1cccnc1Cl 24828309 XAQBPGZWJYNDDM-UHFFFAOYSA-N 336.745 1.853 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N(C)C[C@@H](O)COCc2ccccc2)no1 106671897 KAWVVQUBRLFXAY-GDBMZVCRSA-N 347.415 1.820 0 40 EDAB Cc1cnn(C[C@@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)c1 106666371 NQAARPKEPZRVDH-WBVHZDCISA-N 335.404 1.063 0 40 EDAB COCc1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 25269742 WMDOOOWTQQEOSP-UHFFFAOYSA-N 334.397 1.410 0 40 EDAB CC1(C)CC[C@@H](C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c2ccccc21 72290624 IRCBKKGVDTVFGA-BFUOFWGJSA-N 341.411 1.652 0 40 EDAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 6408639 QAINGIZLZNVEEK-NSHDSACASA-N 347.396 1.091 0 40 EDAB Cc1cccc(OCCNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1 25965313 FASPAQWVHPTSOC-HNNXBMFYSA-N 340.445 1.304 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3C4C5[C@]6(CC=CC[C@]516)[C@H]2[C@@H]43 104287452 JAANWYAEPWLEGD-KIEAQODYSA-N 331.375 1.739 0 40 EDAB O=C(NCCc1nnc(S)n1C1CC1)[C@@H]1C[C@H]1c1cccnc1 109059657 MRPLSZGVQXMNPX-QWHCGFSZSA-N 329.429 1.759 0 40 EDAB CC(C)Oc1ccccc1[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 44694062 MSSCPSPPYWELOF-ZDUSSCGKSA-N 345.399 1.212 0 40 EDAB COc1cccc(NC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c1 58197935 FLNQJTZPSWQQFG-UHFFFAOYSA-N 341.433 1.583 0 40 EDAB CN(C1CCN(C(=O)Nc2ccc(F)cc2F)CC1)S(C)(=O)=O 58192618 YXNCCUODIXSNRJ-UHFFFAOYSA-N 347.387 1.853 0 40 EDAB O=C(Nc1ccccn1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12527150 RNUUAHBJYZSZFV-LBPRGKRZSA-N 339.351 1.844 0 40 EDAB COCCNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 58214764 YQQOHGUEVNIHER-CABCVRRESA-N 343.383 1.023 0 40 EDAB CCS(=O)(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 58282986 SLMPGMLYIWNLAO-GFCCVEGCSA-N 329.441 1.578 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N[C@H]2C[C@H]2c2ccccc2)CC1 58263877 JVYSJXUPCHCLRC-HOTGVXAUSA-N 336.457 1.720 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(C(=O)N(C)C)CC2)c1C 44933968 KEHRZVYHOSGSPL-CYBMUJFWSA-N 348.447 1.705 0 40 EDAB CCOc1cccc2c1OCC(C(=O)N1CCCN(C(C)=O)CC1)=C2 44939568 JIQYUHBSXWAXKL-UHFFFAOYSA-N 344.411 1.942 0 40 EDAB c1ccc(-n2nnnc2CN(C[C@@H]2CCCO2)C[C@H]2CCCO2)cc1 44949103 ZBBZZFVASXYTLV-CALCHBBNSA-N 343.431 1.822 0 40 EDAB CCCC[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)O 2105931 SJPWLEQTADXRJD-ZDUSSCGKSA-N 333.340 1.931 0 40 EDAB biogenic CC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 45074898 KHROFYWTFLWPFX-DOTOQJQBSA-N 334.391 1.984 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@@H](C)n3cccn3)CC2)cc1 45054342 PINSRJMHTABHOG-OAHLLOKOSA-N 328.416 1.797 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Cn1ccc(=O)c2ccccc21 58421683 ALGQSGXIHOZWQN-QWHCGFSZSA-N 329.400 1.421 0 40 EDAB CCN(CC)CCN[C@@H]1CCN(Cc2ccccc2OC)C[C@H]1O 57742172 WDRFBVJNDPHLOV-QZTJIDSGSA-N 335.492 1.562 0 40 EDAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(O)cc1 28924381 KMDVHVODLNJBCY-KRWDZBQOSA-N 325.368 1.729 0 40 EDAB COc1ccc(CNC(=O)CN2[C@@H]3CCC[C@@H]2CC(=O)NC3)cc1 100463507 ZYIZYPSKGPBHPF-HUUCEWRRSA-N 331.416 1.054 0 40 EDAB COc1cc([C@@H]2C=C(C(=O)O)Nc3nc(C)nn32)cc(OC)c1O 100247248 YKPYYNRMOALIAJ-JTQLQIEISA-N 332.316 1.293 0 40 EDAB Cc1cc([C@H]2CCCN2C(=O)CN2C(=O)NC3(CCCC3)C2=O)no1 29236782 RXHHNOUTDBDIHB-CYBMUJFWSA-N 346.387 1.511 0 40 EDAB NC(=O)c1ccc(CN2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1 46725531 ZHSFKPHMQNMLBR-OAHLLOKOSA-N 327.428 1.786 0 40 EDAB C[C@H](NC(=O)CNC[C@@H]1CCCN1c1cccnn1)c1cccs1 72276718 DNPLQPDMUWEEKF-KBPBESRZSA-N 345.472 1.974 0 40 EDAB Cc1c(C(=O)N[C@H](C)CN2CCOCC2)[nH]c2c1C(=O)CC(C)(C)C2 48234671 CMQWBGLIXTUWOF-GFCCVEGCSA-N 347.459 1.929 0 40 EDAB O=c1cc(CN(C[C@@H]2CCCO2)C[C@H]2CCCO2)nc2sccn12 48251068 JESYLMVKZHJSKZ-GASCZTMLSA-N 349.456 1.916 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1cc(=O)[nH]c3ccccc13)CC2 97198778 UAAWKWPLRDNNMP-NSHDSACASA-N 337.383 1.427 0 40 EDAB CCN(C[C@@H]1CN(Cc2ccn(C(C)C)n2)CCO1)c1cccnn1 84774664 AVEZLEHDEXUSNW-KRWDZBQOSA-N 344.463 1.981 0 40 EDAB O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCc2ccccc2C1 12806878 WDHIPWBWCFZUAU-UHFFFAOYSA-N 343.408 1.069 0 40 EDAB C[C@]1(NC(=O)COc2ccc(F)cc2Cl)CCS(=O)(=O)C1 12945623 FEIHSDIBNKIRBE-ZDUSSCGKSA-N 335.784 1.551 0 40 EDAB CN(CC(=O)NCc1ccccc1Oc1ccccc1)S(C)(=O)=O 62887490 WEVRIJCFKOPAKE-UHFFFAOYSA-N 348.424 1.987 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H](Cc1ccccc1)C(=O)O 3863603 KLNRMQTVVCFJFN-AWEZNQCLSA-N 342.351 1.910 0 40 EDAB biogenic CC(C)(C)NC(=O)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 13734325 DMMBWJDBLKBJJN-NSHDSACASA-N 339.461 1.650 0 40 EDAB O=C1CCC(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)=NN1 4349071 ULDANAGUYQUEBY-UHFFFAOYSA-N 344.154 1.741 0 40 EDAB COc1ccc(COC[C@H](O)CN2CCn3c(nc(C)c3C)C2)cc1 97201615 OSKIDHRTJPUAAK-QGZVFWFLSA-N 345.443 1.902 0 40 EDAB CCS(=O)(=O)NCCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 65605823 QRYHVWCNRZPKGZ-IRXDYDNUSA-N 346.452 1.999 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 65826843 PMWFLIAWHOQBJC-BMGDILEWSA-N 329.444 1.949 0 40 EDAB CC1(C)NC(=O)N(CC(=O)OCC(=O)c2c[nH]c3ccccc23)C1=O 6542210 KOEFKVBBTNQXNP-UHFFFAOYSA-N 343.339 1.224 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCC(c2nc[nH]n2)CC1 83443774 ZEKUJGUOSHLXEW-LBPRGKRZSA-N 331.424 1.789 0 40 EDAB C/C(NC[C@@H]1CCCO1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 5816532 QDADVKBMKNIKRG-YEQVNJDRSA-N 343.383 1.308 0 40 EDAB CC(C)[C@@H](C(=O)NCc1nc2cc(F)ccc2n1C)N1CCCC1=O 95394916 OZAFYVXDEYCJDV-KRWDZBQOSA-N 346.406 1.976 0 40 EDAB O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1 7350983 KLUFSDMLWKIUQI-LBPRGKRZSA-N 337.376 1.865 0 40 EDAB CCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 9503928 JYEORNYHGASLAO-LLVKDONJSA-N 341.314 1.947 0 40 EDAB C[C@@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)cc1 7630672 URFBZOZLIYRMPI-MNOVXSKESA-N 343.376 1.521 0 40 EDAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(CNC(C)=O)o1 71847460 CFEYVDZTXPPOHB-OAHLLOKOSA-N 342.351 1.660 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)Cc2n[nH]c3ccccc23)CC1 71864514 OHRMBCSYSGPXHZ-KRWDZBQOSA-N 344.459 1.657 0 40 EDAB Cc1cc(C(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)n(C)n1 71839624 LZRVCYSBARTAQL-UHFFFAOYSA-N 332.408 1.193 0 40 EDAB Cn1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)ccc1=O 95398111 YINVCMKTZIHQSE-UHFFFAOYSA-N 340.379 1.644 0 40 EDAB CN1C(=O)CC[C@H](C(=O)N2Cc3ccccc3C2)[C@H]1c1cnn(C)c1 95397543 PBLHMFUCPYGZJD-FUHWJXTLSA-N 338.411 1.872 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NC[C@H]2CC=CCC2)CC1 83888651 LYWCLCBTMIRJIR-IRXDYDNUSA-N 348.491 1.681 0 40 EDAB CS(=O)(=O)c1ccc([C@@H](O)CNC[C@@H]2Cc3ccccc3O2)cc1 69153765 SGUZWMUCWFBYAI-RDJZCZTQSA-N 347.436 1.717 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)c(C)c1 408627313 ZHHFYGNXFDHCSG-UHFFFAOYSA-N 342.461 1.977 0 40 EDAB Cc1cccc(N2CCN(CCCNC(=O)c3nccn3C)CC2)c1 71921816 ZBLZHGKOYPLDNE-UHFFFAOYSA-N 341.459 1.671 0 40 EDAB CC(C)(C)[S@](=O)CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 71900270 PDJRJRMQLMQAMQ-DMZKTXOQSA-N 328.478 1.298 0 40 EDAB CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(CN(C)C(C)=O)c1 69373028 BEQFRIVFMYJDNP-HNNXBMFYSA-N 349.456 1.915 0 40 EDAB COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1(c2ccc(F)cc2)CC1 95444575 ICJWLIFJZXGRLW-AWEZNQCLSA-N 331.347 1.481 0 40 EDAB C[C@H]1CN(C(=O)CCC(=O)N2CCOc3ccccc32)[C@H](C)CO1 69490676 PAYPWENMDQQRRP-KGLIPLIRSA-N 332.400 1.828 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2C[C@H](O)COCc2ccco2)n1 69534806 LVCSCDUIMKLKPI-HOTGVXAUSA-N 334.420 1.530 0 40 EDAB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 69631911 LQXXQYNPZJGIFT-LBPRGKRZSA-N 347.458 1.164 0 40 EDAB COc1ccccc1NC(=O)N1CCC(CS(N)(=O)=O)CC1 69628953 ROGQNFLRBCHLQV-UHFFFAOYSA-N 327.406 1.228 0 40 EDAB CCn1c(CNC(=O)N(C)CCN2CCOCC2)nc2ccccc21 69655790 FUWFJWHDHVFUSX-UHFFFAOYSA-N 345.447 1.530 0 40 EDAB CCCN1CCC[C@H]1C(=O)N1CCCN(Cc2cnn(CC)c2)CC1 69624657 IULRAYSHEZWZBX-SFHVURJKSA-N 347.507 1.812 0 40 EDAB Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nc1 69674864 ONSCVVWGIVSKTI-UHFFFAOYSA-N 334.401 1.755 0 40 EDAB COc1ccc(CCC(=O)N2CCN(CC(C)(C)O)CC2)cc1F 69777835 ADBFVDNELFYTKL-UHFFFAOYSA-N 338.423 1.682 0 40 EDAB CC(C)c1nc(CCNC(=O)N[C@H]2CCS(=O)(=O)C2)cs1 69775117 KENWIHXXNWIBPT-NSHDSACASA-N 331.463 1.295 0 40 EDAB Cc1cc(C)n(C2CN(C[C@H](O)COc3ccc4c(c3)OCO4)C2)n1 69897105 CWGIDJNUHBXKCK-HNNXBMFYSA-N 345.399 1.525 0 40 EDAB CC(C)(O)CN1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 69873176 ARWYBFGYAMEWRX-UHFFFAOYSA-N 328.815 1.937 0 40 EDAB CC[C@H]1CCCCN1C(=O)CNCC1CCN(C[C@H](C)O)CC1 69898300 VPWRXKBHJGFVLW-RDJZCZTQSA-N 325.497 1.460 0 40 EDAB CC(=O)N[C@H](C)C(=O)OC[C@H]1CCCCN1C(=O)OC(C)(C)C 69949044 VLGNFOIEQGRTCL-DGCLKSJQSA-N 328.409 1.844 0 40 EDAB Cc1nnc(CNC(=O)[C@H](NC(=O)CC(C)C)c2ccccc2)n1C 72281830 KSJXNKWXUQLYBU-QGZVFWFLSA-N 343.431 1.643 0 40 EDAB O=S(=O)(N[C@H]1CCSc2c(F)cccc21)N1CCOCC1 73461801 AUBCPVWIXMLLCF-LBPRGKRZSA-N 332.422 1.529 0 40 EDAB NC(=O)C1CCN(Cc2ccc(I)cc2)CC1 88185075 QCQINASOMMKGOE-UHFFFAOYSA-N 344.196 1.989 0 40 EDAB COC[C@@](C)(CC(=O)O)NC(=O)CCCOc1ccc(F)cc1 95989827 PFHKXOBEEJMUHY-MRXNPFEDSA-N 327.352 1.981 0 40 EDAB CN(C)c1cccc(CNC(=O)[C@H]2CCCN(c3cnccn3)C2)n1 89326737 MHROHHZTRMRPLO-AWEZNQCLSA-N 340.431 1.470 0 40 EDAB CCn1cc(C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)cn1 89305825 QQRSZEWPWBFVAC-UHFFFAOYSA-N 326.360 1.422 0 40 EDAB COCCNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 89414611 CEDQZAIAWNIUFW-UHFFFAOYSA-N 325.840 1.220 0 40 EDAB Cc1cc(C)n(-c2ccccc2NC(=O)[C@H]2CCS(=O)(=O)C2)n1 89595858 STINBMLXHLZZSK-ZDUSSCGKSA-N 333.413 1.862 0 40 EDAB O=C(NCc1nnc2ccccn12)c1ccc(-c2ccco2)[nH]c1=O 75125222 GTNPNBKGTYZPDK-UHFFFAOYSA-N 335.323 1.608 0 40 EDAB O=C(c1ccc(-n2ccnn2)cc1)N1CCCN(c2ncccn2)CC1 89815825 RRGNRRBNAHQKCV-UHFFFAOYSA-N 349.398 1.410 0 40 EDAB COc1ccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)cc1 113966594 OFKSVERUGIPKGE-UHFFFAOYSA-N 328.434 1.766 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CC)c(C)c1 408623647 PFEOVYLXOWPSNF-ZDUSSCGKSA-N 342.461 1.977 0 40 EDAB CN1CCc2ncnc(N3CCN(Cc4cscn4)CC3)c2C1 65475878 BBPZCNJDZLIJNT-UHFFFAOYSA-N 330.461 1.243 0 40 EDAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC[C@H](C)Cn1cccn1 36615001 WBBUYYJCSFHQDX-VIFPVBQESA-N 347.391 1.706 0 40 EDAB C[C@H](N)C(=O)N1CCC(CN(C)C(=O)OCc2ccccc2)CC1 79412818 LQJIXFHHUHGBTL-AWEZNQCLSA-N 333.432 1.841 0 40 EDAB O=c1ccc(-c2ccco2)nn1CN1CCN(c2ncccn2)CC1 72402633 IEVWRENBRXLCAF-UHFFFAOYSA-N 338.371 1.073 0 40 EDAB CCn1nc(C)cc1C(=O)Nc1ccccc1-n1ccc(C(N)=O)n1 74141245 RVGCBRYAQLIMAB-UHFFFAOYSA-N 338.371 1.748 0 40 EDAB O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1cccc(F)c1 64871390 VHYHJOVKNVCGOA-UHFFFAOYSA-N 337.314 1.822 0 40 EDAB CC(C)Cc1nnc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)s1 127799331 YIXWCONJDWIHGO-GFCCVEGCSA-N 332.451 1.435 0 40 EDAB Cc1nc(C)c(C)c(N2CC[C@H](NC(=O)C3(C)CCOCC3)C2)n1 1058397779 DEEVOWAOIQCRDG-HNNXBMFYSA-N 332.448 1.913 0 40 EDAB CCN(C(=O)[C@H](C)N)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79393122 QWPYQXKKZHBOJI-GOEBONIOSA-N 333.432 1.983 0 40 EDAB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc(OC)c1 71980196 FAALWLYPSREOMW-OAHLLOKOSA-N 348.399 1.433 0 40 EDAB CC(C)c1ccc(-n2c(=O)[nH]c(C(=O)O)c(CN(C)C)c2=O)cc1 222662517 QIBWFXFNFNPDPN-UHFFFAOYSA-N 331.372 1.409 0 40 EDAB O=C(O)c1[nH]c(=O)n(Cc2ccccc2)c(=O)c1CN1CCCCC1 222655115 VKPSNXLEABSUAB-UHFFFAOYSA-N 343.383 1.269 0 40 EDAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(C)S3(=O)=O)cc1Cl 225947750 TZDWDLBVWRAMBK-AMIZOPFISA-N 330.793 1.321 0 40 EDAB CN(C[C@@H]1Cc2ccccc2CO1)C(=O)c1cc2n(n1)CCCO2 225789768 MATXBIUMOYTXBA-HNNXBMFYSA-N 327.384 1.879 0 40 EDAB COc1ccc(NC(=O)[C@@]2(C)CCCN(C)S2(=O)=O)cc1OC 225952893 UISYJCQASOFXGS-OAHLLOKOSA-N 342.417 1.456 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NC[C@H](O)c1ccc2c(c1)CCO2 85559362 RRCMFHGBSIQMJS-ZDUSSCGKSA-N 338.385 1.238 0 40 EDAB Cc1noc(C)c1[C@@H](C)CNC(=O)[C@@H]1COCCN1CC(F)(F)F 225805968 UGHXREVOMCJWCS-CABZTGNLSA-N 349.353 1.774 0 40 EDAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCc1nnnn1C1CC1 83735949 YTBRVCZKKYZJGP-GFCCVEGCSA-N 341.419 1.558 0 40 EDAB COCCC(=O)N1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1 96244130 BNIAJWVZTYATEZ-GOSISDBHSA-N 346.431 1.335 0 40 EDAB COCCN(C)C[C@@H]1CO[C@]2(CCCN(C(=O)c3ccccn3)C2)C1 96075688 MERZQYLIHYHXRG-VQIMIIECSA-N 347.459 1.671 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](Nc2ncnc(Cl)c2N)[C@H](O)C1 95097784 AMFSNMRMWKMCTH-JGVFFNPUSA-N 329.788 1.104 0 40 EDAB COC(=O)C[C@@H](c1ccccc1)c1c(O)cc(C)n(CC(=O)O)c1=O 96221966 QOCYIHZXASHQDD-ZDUSSCGKSA-N 345.351 1.642 0 40 EDAB biogenic CN1C(=O)C[C@@H](CNc2nc3cc(F)ccc3o2)[C@@H]1c1nccn1C 580223959 UBUHREPQRPUCFZ-ZUZCIYMTSA-N 343.362 2.332 0 40 EDAB COc1cc(CNC[C@H]2Cn3ccnc3CO2)cc(OC)c1OC 96296260 ISGJHUSZWQZQJU-ZDUSSCGKSA-N 333.388 1.598 0 40 EDAB biogenic,in-vitro O=C([C@@H]1CCOC1)N1CC[C@]2(CCCN(Cc3ccccn3)C2)C1 96158070 UIVVIMRXKUMEGD-APWZRJJASA-N 329.444 1.933 0 40 EDAB O=C(NCCc1ccncc1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95475674 VGADADKCIJZBLF-CQSZACIVSA-N 349.394 1.670 0 40 EDAB CS(=O)(=O)N1CC[C@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244378 HRHYQDYCLLAOPS-QGZVFWFLSA-N 345.424 1.577 0 40 EDAB C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCc2ccc(F)cc21 96474836 SLJLKSGJFQSYML-HZMBPMFUSA-N 328.409 1.935 0 40 EDAB Cc1cnc(N2CCc3ccc(=O)n(Cc4cccnc4)c3CC2)nc1 96092515 FPGDVCBPBQGZON-UHFFFAOYSA-N 347.422 1.995 0 40 EDAB O=C(C[C@H]1CO[C@@H]2CN(Cc3nccs3)C[C@@H]21)NCc1ccco1 96219575 CTTYEFDXEHLKEJ-NWANDNLSSA-N 347.440 1.889 0 40 EDAB Cc1cc(Br)c(O)c(C(=O)N[C@H]2CCC[C@H]2C(N)=O)c1 91683219 AQHSFJPNJFQURP-KCJUWKMLSA-N 341.205 1.847 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@@H](C)c3noc(C)n3)CC2)cc1 585084824 QXDITIFINHDEFT-ZDUSSCGKSA-N 344.415 1.835 0 40 EDAB Cn1cccc1C(=O)NC[C@@H]1CO[C@@H]2CN(Cc3nccs3)C[C@@H]21 248090758 CGSPOMXKWIRSDT-UMVBOHGHSA-N 346.456 1.358 0 40 EDAB Cc1c(CNC(=O)[C@@H]2CC(C(=O)O)=NN2c2ccccc2)cnn1C 585134320 MZHIRKLMOWJRGK-HNNXBMFYSA-N 341.371 1.064 0 40 EDAB COCCN1C[C@H](COC)C2(CCN(c3nnc(C)s3)CC2)C1 247994912 CNZMCJRDKGSZGE-CQSZACIVSA-N 340.493 1.658 0 40 EDAB C[C@@H]1[C@H](C(=O)Nc2cc(=O)on2C)CCCN1C(=O)OC(C)(C)C 585128264 XKMYFDPVHNRDTA-GHMZBOCLSA-N 339.392 1.952 0 40 EDAB CC(C)C[C@H](CNC(=O)c1ncoc1COCC(=O)O)CC(=O)O 585134756 IYUOJYOFRQYLDH-JTQLQIEISA-N 342.348 1.143 0 40 EDAB c1ccc(CN2CCOC[C@]3(CC[C@@H](CN4CCCC4)O3)C2)nc1 253596538 SNDXCMOLZYGYGD-OALUTQOASA-N 331.460 1.927 0 40 EDAB COCCN1C(=O)N[C@@H]2CN(CC3(O)CCC(C)CC3)CC[C@@H]21 585655556 YDRLDTSEMXJKHN-DGNOSDGRSA-N 325.453 1.042 0 40 EDAB Cc1nccn1CC(=O)N1C[C@H]2CC[C@@H](N(C)c3cccnn3)[C@H]2C1 257271122 MWYMYYUJXKHCML-OWCLPIDISA-N 340.431 1.355 0 40 EDAB O=C(c1ccc(F)c(Cl)c1)N1CC[C@](O)(CN2CCOCC2)C1 257273675 NHQPZCSJIFIFGH-INIZCTEOSA-N 342.798 1.388 0 40 EDAB Cc1cn(C)c([C@H]2CCN(C(=O)CCn3nnc4ccccc43)C2)n1 257307909 TUQIYGSWXLMPTD-AWEZNQCLSA-N 338.415 1.879 0 40 EDAB CC(=O)N1CCO[C@@](C)(C(=O)NCc2ccccc2CN(C)C)C1 257338700 YYORVZJUJATFGH-GOSISDBHSA-N 333.432 1.002 0 40 EDAB c1ccc(CN2CCOC[C@@]3(CC[C@@H](Cn4cncn4)O3)C2)cc1 253596855 WMPCQOOXUXPMFM-ZWKOTPCHSA-N 328.416 1.728 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCc1cnc([C@H]2CCCCO2)nc1 257209591 BQZJPNIFJTYOHX-MRXNPFEDSA-N 343.431 1.927 0 40 EDAB Cc1cnc(C(C)(C)NC(=O)c2ccc(S(N)(=O)=O)nc2)s1 281568277 MBJCISJKFUMHIN-UHFFFAOYSA-N 340.430 1.159 0 40 EDAB CCc1cc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)no1 606997125 WFBSICOHGVOFTH-CQSZACIVSA-N 347.346 1.915 0 40 EDAB O=C(c1cnns1)N1C[C@H]2CC[C@@]2(Nc2cncc(Cl)n2)C1 1615055570 CUBMDBUQQGFDFK-AMIZOPFISA-N 336.808 1.698 0 40 EDAB CC(C)Cn1[nH]c(CC(=O)N2CCCC[C@H]2c2ccnn2C)cc1=O 821487011 GIJGFTQIFFAHBT-INIZCTEOSA-N 345.447 1.862 0 40 EDAB CCOCC(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111322 OLCUXMFMNPGJQF-MRXNPFEDSA-N 329.400 1.698 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1cn2ccc(C)cc2n1 585287866 GEITWCQQLZBHQS-FMKPAKJESA-N 333.388 1.144 0 40 EDAB CN1C[C@H](COCC2CC2)C2(CCN(Cc3cnn(C)c3)CC2)C1 585102742 CSBZDICFUYLFLG-GOSISDBHSA-N 332.492 1.991 0 40 EDAB COC[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1)c1ccccc1 892688793 BPXSOGKENVMTLT-QLFBSQMISA-N 338.429 1.060 0 40 EDAB O=C(CSCc1ccncc1)NCCNC(=O)c1ccccc1 48246365 BXWHCCNZFYOQHA-UHFFFAOYSA-N 329.425 1.861 0 40 EDAB CC(=O)N(C)Cc1cccc(NC(=O)NCC(=O)NCC(C)C)c1 50055086 WDHZKVNTXRVEBM-UHFFFAOYSA-N 334.420 1.559 0 40 EDAB COc1ncccc1C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 40496196 KTUNXUDUJHWTED-HNNXBMFYSA-N 345.399 1.795 0 40 EDAB C[C@H]1[C@H](NC(=O)c2ccc3nn[nH]c3n2)CCN1Cc1ccccc1 582673466 HQHFMJGTOWFWKQ-GXTWGEPZSA-N 336.399 1.746 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)c1c(Br)cnn1C 71195861 ORAAZSMEPLTLFR-SNVBAGLBSA-N 338.209 1.724 0 40 EDAB CCN(CC)CCNC(=O)c1cc2c(=O)n3ccccc3nc2n1C 11691366 LWWUXWFTSKGXNP-UHFFFAOYSA-N 341.415 1.258 0 40 EDAB COc1ccccc1NC(=O)CN1CCC(O)(c2nccn2C)CC1 12114355 PGITUXMLRLAKGO-UHFFFAOYSA-N 344.415 1.351 0 40 EDAB COc1ccc(OCC(=O)N2CCN(c3nccn3C)CC2)cc1 12444498 HWKGWJOZHDVNCJ-UHFFFAOYSA-N 330.388 1.156 0 40 EDAB CCN(CC)C(=O)Cn1nc(C)c2cnn(-c3ccccc3)c2c1=O 13970547 MZCDNAAOUJVEIQ-UHFFFAOYSA-N 339.399 1.759 0 40 EDAB COc1ccc(OCCNS(=O)(=O)c2c(C)noc2C)cc1 15357879 GKRGNLGKJMECKC-UHFFFAOYSA-N 326.374 1.657 0 40 EDAB Cc1cc(C)nc(N2CCC(CC(=O)NCC3(C)COC3)CC2)n1 19748790 IXVWHBBCCWJRAS-UHFFFAOYSA-N 332.448 1.853 0 40 EDAB COc1ccc([C@@H]2[C@@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1OC 19771549 ISBHDKJASSZWAM-WJFTUGDTSA-N 348.395 1.922 0 40 EDAB Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc(=O)o1 206968239 KRDVXUVLIMBQJG-LLVKDONJSA-N 341.410 1.852 0 40 EDAB COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1ccc(F)c(Cl)c1 583616389 MUWZFSGNVWCPMV-UWVGGRQHSA-N 337.800 1.904 0 40 EDAB CCc1cc(N2CCN(c3cc(C)nc(N(C)C)n3)CC2)ncn1 1888857236 OVELKMKTYLXOEB-UHFFFAOYSA-N 327.436 1.530 0 40 EDAB Cc1cnc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1 1888897172 BBQXLOJKADVKKB-UHFFFAOYSA-N 336.403 1.586 0 40 EDAB CN(C)c1ccc(N2CCN(c3nc(C4CC4)ns3)CC2)nn1 1889082749 OGPRIYGEOXEPDU-UHFFFAOYSA-N 331.449 1.598 0 40 EDAB Cc1nnc(NC(=O)CCc2ccc(S(C)(=O)=O)cc2)s1 930376905 SQZJNEUQWAFZKJ-UHFFFAOYSA-N 325.415 1.821 0 40 EDAB Cc1cc(Br)ccc1S(=O)(=O)Nc1ncnn1C 128905170 IXKCBGYUMUUUMW-UHFFFAOYSA-N 331.195 1.687 0 40 EDAB Cc1cccnc1C(=O)N1CC2(C[C@H](N3CCOCC3)CS2)C1 2056223976 JNKOJKKDHAMEQI-AWEZNQCLSA-N 333.457 1.422 0 40 EDAB O=C(c1cc[nH]c1)N1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 1565548061 WXNJWWWBMYZEDU-YESZJQIVSA-N 327.384 1.999 0 40 EDAB CCc1cnc2c(c1NCc1cccs1)c(=O)n(C)c(=O)n2C 12227052 CIDWTISXSGXEIT-UHFFFAOYSA-N 330.413 1.868 0 40 EDAB CCc1nnc(NC(=O)CSc2nc(O)c3cn[nH]c3n2)s1 17917804 XPTWIZLXBHODDO-UHFFFAOYSA-N 337.390 1.203 0 40 EDAB O=C([C@H]1CCOC1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 2055815530 ZCCYGSDCQPAMBI-LPHOPBHVSA-N 345.443 1.564 0 40 EDAB CC(C)CNC(=O)C(=O)NCC1CCN(Cc2ccccc2)CC1 23127449 YVAXLKQUXSKJQU-UHFFFAOYSA-N 331.460 1.787 0 40 EDAB Cc1cc(N2CCO[C@H](C(=O)N3CCOCC3)C2)nc2ccccc12 2086864793 INYFYQIWQUQOJR-KRWDZBQOSA-N 341.411 1.607 0 40 EDAB Cc1cc(N2C[C@H]3CN(c4ncnc5c4ncn5C)C[C@H]3C2)ncn1 2086866199 RBNHWIWMFCCOBD-BETUJISGSA-N 336.403 1.034 0 40 EDAB O=C([C@@H]1CN(c2ccc(C(F)(F)F)nc2)CCO1)N1CCCC1 2086850127 GGAQEVRUCBJECH-LBPRGKRZSA-N 329.322 1.928 0 40 EDAB COc1ccc(S(=O)(=O)NCCn2ccn3nccc23)c(C)c1 206746435 TUXZVFXZVLBFLE-UHFFFAOYSA-N 334.401 1.431 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(-n2cnnn2)cc1 40113227 NLCWILBEFXHARR-CJNGLKHVSA-N 329.404 1.987 0 40 EDAB COc1cc(CNCC(C)(C)N2CCN(C)CC2)cc2c1OCCO2 30664270 MNMRNWKYHCUEIG-UHFFFAOYSA-N 349.475 1.582 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1cc(Cl)ccc1O 40268905 BXRFXZRCBFXDHH-UHFFFAOYSA-N 336.779 1.651 0 40 EDAB O=S1(=O)N=C(NC[C@H](O)COc2ccccc2)c2ccccc21 79762 AXIQZPWUCQHXLF-LBPRGKRZSA-N 332.381 1.165 0 40 EDAB CCCNC(=O)[C@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 50718376 JVOQUFODRSGROL-ZDUSSCGKSA-N 329.404 1.196 0 40 EDAB Cc1cccc(OCCCC(=O)N2CCN(S(C)(=O)=O)CC2)c1 40473115 GHKDQTRBZKGJCL-UHFFFAOYSA-N 340.445 1.258 0 40 EDAB CC(C)NC(=O)CN1C(=O)COc2cc(Br)ccc21 31806528 HIJJUCDBRYHXRU-UHFFFAOYSA-N 327.178 1.699 0 40 EDAB COc1cccc(OCCNS(=O)(=O)c2c(C)noc2C)c1 40501729 OCOZHRKJQFNPKT-UHFFFAOYSA-N 326.374 1.657 0 40 EDAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 40540097 GRSOHJYGJRAOHW-XHBSWPGZSA-N 347.394 1.540 0 40 EDAB COc1cccc(OCCNS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 40501731 QYKKSAZQOZTYTI-BETUJISGSA-N 344.433 1.018 0 40 EDAB CC[C@@H](C)NC(=O)CS(=O)(=O)Cc1nc2ccccc2nc1C 40528586 DTPHYLNGBZCEOD-LLVKDONJSA-N 335.429 1.768 0 40 EDAB CCOC(=O)c1ccc(NC(CC)=C2C(=O)NC(=O)NC2=O)cc1 101039584 IWBIEKLSIOGYBS-UHFFFAOYSA-N 331.328 1.305 0 40 EDAB CC(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccccc2O)C1 51467262 JJVWXJOWAUPSHN-CYBMUJFWSA-N 340.445 1.572 0 40 EDAB CCCCN(C)S(=O)(=O)NCc1ccc(S(C)(=O)=O)cc1 32440143 DSSNQFDLTGYXQK-UHFFFAOYSA-N 334.463 1.156 0 40 EDAB CCCS(=O)(=O)c1ccccc1C(=O)N1CCC(C(N)=O)CC1 32656128 KNFXQFOAHRWSER-UHFFFAOYSA-N 338.429 1.208 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1ccc(Cl)cc1 102274913 HOSYIONUHVMJRO-OKILXGFUSA-N 332.787 1.907 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)c2ccc3c(c2)OCCCO3)CCO1 32865219 GAHVOCJFKLQWGG-LBPRGKRZSA-N 335.356 1.252 0 40 EDAB O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@H]1CC(=O)N(C2CC2)C1 32931166 NAOPEMBOAHZMBN-VIFPVBQESA-N 343.305 1.972 0 40 EDAB Cc1noc(C2CCN(C(=O)Cn3ccc(C(F)(F)F)n3)CC2)n1 53448621 ZRPRJIZEXFJPDS-UHFFFAOYSA-N 343.309 2.000 0 40 EDAB Cc1cc(CN2CCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)no1 22799417 ISBOBOZFTHYVRE-WMLDXEAASA-N 334.464 1.796 0 40 EDAB CCn1c(=O)n(CC(=O)N[C@@H](C)Cn2ccnc2)c2ccccc21 42532386 MOSNOIKTDHBBIT-ZDUSSCGKSA-N 327.388 1.224 0 40 EDAB O=C(NCCCN1CCN(c2ncccn2)CC1)c1ccsc1 23895048 FMKORIFNYWTGBY-UHFFFAOYSA-N 331.445 1.480 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1C 105830542 RERYHNHFJIBFRI-CORIIIEPSA-N 328.434 1.996 0 40 EDAB O=C(NCCNC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1)C1CC1 55009918 PHADWBBPUDHILA-JTQLQIEISA-N 341.820 1.537 0 40 EDAB CC(C)[C@@H](CNC(=O)[C@@H]1COCCO1)N1CCc2ccccc2C1 24622381 TZCCYWKEVBDRHZ-MSOLQXFVSA-N 332.444 1.601 0 40 EDAB CC(C)CC(=O)NCCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C 78874960 NVHXENBLVDABHM-ZIAGYGMSSA-N 325.453 1.445 0 40 EDAB Cc1ccc([C@H]2CCCN2S(=O)(=O)NCCc2nccn2C)o1 78880234 PASIIPTYGAOIBV-CYBMUJFWSA-N 338.433 1.536 0 40 EDAB Cc1cccc(-c2nc(CN3CCc4nn(C)c(=O)cc4C3)no2)c1 78931516 CMPYBHZJZWAMIB-UHFFFAOYSA-N 337.383 1.697 0 40 EDAB C[C@@H]1CN(C(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)CCO1 106033997 JOKMNJVUBXUOKH-HUUCEWRRSA-N 343.431 1.507 0 40 EDAB C[C@H](C(=O)N(C)Cc1nccn1C)n1nnc(-c2ccccc2)n1 79994165 JMLWFXSPHSEXQM-GFCCVEGCSA-N 325.376 1.293 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(N2CCS(=O)(=O)CC2)c1 55463901 LNIFEXHBMQZJHP-PWSUYJOCSA-N 326.393 1.655 0 40 EDAB CCOC(=O)c1c(N(C)S(=O)(=O)c2ccc(C)cc2)n[nH]c1N 6265591 GTHCVTNDRHIWDW-UHFFFAOYSA-N 338.389 1.302 0 40 EDAB CC(C)N(C)C(=O)CN1CCCN(C(=O)c2cccc(F)c2)CC1 97150473 HJTCOHBUGSAYSA-UHFFFAOYSA-N 335.423 1.840 0 40 EDAB CC(C)=CC(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 7651902 MJPPPSCMUTVXSJ-UHFFFAOYSA-N 343.383 1.932 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCCc1nc(-c2ccccc2)n[nH]1 97143731 JSIDAEKQAGXINF-UHFFFAOYSA-N 338.415 1.723 0 40 EDAB Cc1nc(C)n(CCNC(=O)C[C@@H]2C(=O)N(C)c3ccccc32)n1 100758629 NMZQFXHRICEEBR-AWEZNQCLSA-N 327.388 1.161 0 40 EDAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCn3cccn3)cc21 57279917 VUIXRTWGJFAQOX-UHFFFAOYSA-N 334.401 1.091 0 40 EDAB O=S(=O)(NC1CCN(c2ncccn2)CC1)N1CCCCCC1 56058979 RMCLCDGQLPAWRA-UHFFFAOYSA-N 339.465 1.156 0 40 EDAB NC(=O)CN(C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CCCC1 56015162 UVZCXXCPAFIKRJ-HNNXBMFYSA-N 347.390 1.435 0 40 EDAB CNC(=O)C1(NS(=O)(=O)c2ccc(OC)cc2)CCCCC1 56128865 YKLBBEGJFIAUNG-UHFFFAOYSA-N 326.418 1.422 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2sccc2-n2cccc2)CC1 25518164 YABPOOBVWVMLIN-UHFFFAOYSA-N 332.429 1.218 0 40 EDAB COc1ccc(NC(=O)[C@@H](CCSC)NC(N)=O)cc1OC 8327498 VZZIYQZVJFVVOK-SNVBAGLBSA-N 327.406 1.432 0 40 EDAB Cc1ccc(F)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 8369927 LOBGXCAQMYQTEG-UHFFFAOYSA-N 348.355 1.917 0 40 EDAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)NC1CCCCC1 57640230 QHPRYGMBDHSDHD-UHFFFAOYSA-N 344.459 1.967 0 40 EDAB CN(C)[C@@H](C(=O)Nc1ccc(OCCC(N)=O)cc1)c1cccnc1 72310070 VHFBEABUGIRYOR-QGZVFWFLSA-N 342.399 1.577 0 40 EDAB CC1(C)COCCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 58181653 QFOLYHJTHKDTFA-UHFFFAOYSA-N 331.347 1.623 0 40 EDAB O=S1(=O)CC[C@H](N2CCN(c3ncnc4sccc34)CC2)C1 58160505 VNSSTKGHLWDXIC-NSHDSACASA-N 338.458 1.000 0 40 EDAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCN(c2cnccn2)CC1 27632186 FPEAAELXSHELCA-INIZCTEOSA-N 339.443 1.818 0 40 EDAB COc1ccc(C(=O)OCCn2nc3ccccn3c2=O)c(OC)c1 44920513 VETZLMWVLBPOAF-UHFFFAOYSA-N 343.339 1.370 0 40 EDAB Cc1ccc(-n2ncc3c(=O)n(C[C@@H](O)C(F)(F)F)cnc32)cc1 97377976 HOXFXCSBGAUKDK-GFCCVEGCSA-N 338.289 1.814 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 100634737 RPLVXQQSZPUKAE-CYJAXWMASA-N 327.380 1.920 0 40 EDAB NS(=O)(=O)c1cnc(N2CCO[C@@H](c3ccccc3)C2)s1 58426729 VCUBEJQRZDOPIA-LLVKDONJSA-N 325.415 1.368 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCCn2ncnc21 58403916 ROSMBZNSPZWFML-UHFFFAOYSA-N 327.373 1.551 0 40 EDAB Cc1ccc(OCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1C 10660816 LDOPSXGBCWYDJH-UHFFFAOYSA-N 340.445 1.222 0 40 EDAB CC(=O)c1cccc(OCCCC(=O)NCCNC(=O)C2CC2)c1 58632824 YJIOVNHVHAHFOR-UHFFFAOYSA-N 332.400 1.691 0 40 EDAB Cc1ccn(-c2cccc(NC(=O)N[C@@H](C)Cn3cncn3)c2)n1 95395833 PFKRAYVSTRTIEY-ZDUSSCGKSA-N 325.376 1.982 0 40 EDAB O=C(C[C@@H]1[C@@H]2CN(C(=O)c3ccccn3)C[C@@H]21)NCc1ccco1 107253923 WHSFHEZLSZDCDN-QDMKHBRRSA-N 325.368 1.699 0 40 EDAB O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1CCN(c2ccccn2)C1 95435553 OYYFCXWQMCBOEI-SJORKVTESA-N 340.427 1.563 0 40 EDAB CNS(=O)(=O)CCCN1CCC[C@H](n2cnc3ccccc32)C1 95395058 STTVEKGOULURDG-AWEZNQCLSA-N 336.461 1.613 0 40 EDAB Cc1ccsc1C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 29188888 DGQHTPQFNLUAKE-VXGBXAGGSA-N 346.474 1.225 0 40 EDAB Cc1c(C(=O)N2CCN(CCOc3ccccc3)CC2)cnn1C 29928013 SLIMYDWVQVLOJU-UHFFFAOYSA-N 328.416 1.565 0 40 EDAB O=C(CN1C(=O)CCOc2ccccc21)N[C@H]1CCN2CCCC[C@@H]12 60573330 BQOIJUJXIXORGX-GJZGRUSLSA-N 343.427 1.545 0 40 EDAB Cc1ccc(CNC(=O)c2ccc(CNS(C)(=O)=O)o2)s1 84743951 JCPSHOCECDIKPR-UHFFFAOYSA-N 328.415 1.629 0 40 EDAB COc1ccc(CN2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 103461144 KPEUHEPSDOSTDO-GXFFZTMASA-N 342.442 1.353 0 40 EDAB Cc1cc(CN(C)C(=O)N[C@H]2CCCN(c3ncccn3)C2)no1 47103260 SLDYRNUMCALCSE-ZDUSSCGKSA-N 330.392 1.583 0 40 EDAB CCC1(CC)NC(=O)N(C[C@@H](O)COc2ccc(C(C)=O)cc2)C1=O 48291128 KMLYFCBYYDTYIG-CQSZACIVSA-N 348.399 1.740 0 40 EDAB CN1CCO[C@@H](C(=O)N2CCc3cc(Br)sc3C2)C1 95446815 MQUBPNSGJQWYME-SNVBAGLBSA-N 345.262 1.726 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)cn1 67727638 URTJVFZLLSOAAI-SNAWJCMRSA-N 342.399 1.695 0 40 EDAB COc1ccc(OC[C@H](O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 48361921 RDJREFNZAPWATJ-CYBMUJFWSA-N 348.399 1.690 0 40 EDAB O=C1O[C@@H](C(=O)NCCc2nnc3ccccn23)Cc2ccccc21 48314842 RYJIYSUFSDPYCM-CQSZACIVSA-N 336.351 1.170 0 40 EDAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O 3460696 FELYMWIMBLAZTK-GOSISDBHSA-N 329.400 1.903 0 40 EDAB Cc1nc(NC(=O)CSc2ncn[nH]2)nc2c1C(=O)CC(C)(C)C2 20633905 PWEFKSAYWYDHKJ-UHFFFAOYSA-N 346.416 1.789 0 40 EDAB Cc1noc2ncc(C(=O)N3CCC(CN4CCOCC4)CC3)cc12 65378023 NMCLNBNUEDJDKI-UHFFFAOYSA-N 344.415 1.716 0 40 EDAB CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14183250 JBJKTZRNFHYEGO-UHFFFAOYSA-N 337.854 1.437 0 40 EDAB O=C(NC1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 9316861 SDPGZUAQRBFJJU-UHFFFAOYSA-N 327.381 1.004 0 40 EDAB O=C(CN(CC(=O)NC1CC1)Cc1ccc(Cl)cc1)NC1CC1 6602380 UNGBRRQOXALIBC-UHFFFAOYSA-N 335.835 1.699 0 40 EDAB CCN(CC)C(=O)CNC(=O)[C@H](NC(=O)CC(C)C)c1ccccc1 66632252 OEIRSMLJPKACJG-GOSISDBHSA-N 347.459 1.875 0 40 EDAB Cn1cc(C(N)=O)cc1C(=O)NCc1ccnc(OCC2CC2)c1 87336311 SRAMGLYFISMEOY-UHFFFAOYSA-N 328.372 1.238 0 40 EDAB Cc1csc(=O)n1CC(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 7073519 DINLJMDCXPSHEH-OAHLLOKOSA-N 346.408 1.781 0 40 EDAB Cc1ccccc1N1C[C@H](C(=O)NCCCn2ccnc2)CC1=O 7343788 LSKJLRLBAVJVDN-OAHLLOKOSA-N 326.400 1.751 0 40 EDAB C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)N1CCOCC1 97014940 FDNRMYFYYOWPNU-SECBINFHSA-N 348.296 1.822 0 40 EDAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCCc1cccs1 7835817 CCDIVSLYCFCMSM-UHFFFAOYSA-N 349.412 1.140 0 40 EDAB COC(=O)[C@H]1CN(Cc2cn(C)nc2-c2cccs2)C[C@@H](C)O1 97034009 ZXWKTQMUYBKGNQ-DGCLKSJQSA-N 335.429 1.911 0 40 EDAB CCc1cnc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)s1 81232858 GXEXYEPNDIEFCP-TZMCWYRMSA-N 347.444 1.987 0 40 EDAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCC(=O)N1CCOCC1 8128885 OQGDFKNYRQBHAK-CQSZACIVSA-N 334.416 1.820 0 40 EDAB COc1cc(C(=O)Nc2ccc(F)cc2)cc(OC)c1OCC(N)=O 8112785 AJETUHIVGHXDJX-UHFFFAOYSA-N 348.330 1.959 0 40 EDAB Fc1cccc([C@H](CNc2ccc3nnnn3n2)N2CCOCC2)c1 71833169 NHVATAZVEPDAHC-AWEZNQCLSA-N 343.366 1.144 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N(C1=CCCCC1)C1CC1)CC2 70015940 JSLXGQLODDPBEJ-AWEZNQCLSA-N 329.448 1.940 0 40 EDAB Cc1ccc(N2CCC[C@H](NCC(=O)NC(C3CC3)C3CC3)C2)nn1 70016755 OOFHLNHABCRUPN-INIZCTEOSA-N 343.475 1.648 0 40 EDAB CC(=O)N[C@@H](CC(=O)N1CCc2nnc(N)cc2C1)c1ccccc1 71859911 UGELOZKVGILLFF-INIZCTEOSA-N 339.399 1.211 0 40 EDAB CCc1cc2c(=O)n(CC(=O)N3CCO[C@@H](CC)C3)cnc2s1 71830873 KUCPSLFBZVATLS-NSHDSACASA-N 335.429 1.658 0 40 EDAB COc1ccnc(N2CCCN(C(=O)Nc3ccncc3)CC2)n1 69350321 ZBHVLSIGPNDLER-UHFFFAOYSA-N 328.376 1.624 0 40 EDAB Cn1ccnc1CN1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 69452796 LOSZJWZRRRXCNQ-INIZCTEOSA-N 348.422 1.117 0 40 EDAB Cc1cc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)c2c(C)noc2n1 71830359 CRMZKBYUBNRQPA-LBPRGKRZSA-N 343.387 1.469 0 40 EDAB Cc1ccn(-c2ccc(NCCNC(=O)c3cccc(F)c3)nn2)n1 19924068 GNQZTSPERPJTBB-UHFFFAOYSA-N 340.362 1.952 0 40 EDAB C[C@H](CNC(=O)c1ccccc1OC(F)F)CN1CCN(C)CC1 69661947 JRILXZXCARLDGO-CYBMUJFWSA-N 341.402 1.901 0 40 EDAB O=C1NC(=O)c2cc(S(=O)(=O)Nc3cccc4[nH]ncc34)ccc21 69743363 SWVNVHYTASCTND-UHFFFAOYSA-N 342.336 1.247 0 40 EDAB COc1ccc(C[C@]2(C)NC(=O)N(CC(=O)N(C)C3CC3)C2=O)cc1 69775687 WWPRDYHQBQXMOF-SFHVURJKSA-N 345.399 1.169 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN1CC[S@](=O)c1ccccc1 69778348 CLCGYSLNVCJUJP-JCQPUDPBSA-N 348.390 1.937 0 40 EDAB COCCCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1cnn(-c2ccccc2)c1 72275674 ZKRCMCDALSQWOQ-WBVHZDCISA-N 343.383 1.883 0 40 EDAB Cc1ccc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)c(Br)c1 92007451 SBLHIGFTKAJKJD-MFKMUULPSA-N 327.222 1.832 0 40 EDAB COC(=O)c1ccc(/C=C/C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc1 69899108 BSVPHKGGUVNCBK-AOEIMKSNSA-N 346.427 1.712 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)NCc3ccccn3)C2)n1 69841328 CUEQEDYUVQLBBV-MRXNPFEDSA-N 342.447 1.318 0 40 EDAB COC(=O)NCC(=O)O[C@@H](C(=O)N1CCCCC1)c1ccccc1 83891429 HWOSIGUHQQGRIH-OAHLLOKOSA-N 334.372 1.639 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC[C@H](n2cncn2)C1)N1C[C@H](C)O[C@H](C)C1 72234979 WRMYKWWXWKNIPB-YVSFHVDLSA-N 349.479 1.575 0 40 EDAB O=C(NCCC(=O)N1CCCC[C@@H]1CN1CCOCC1)c1ccco1 72277569 MSVMTNXEKMSJGP-OAHLLOKOSA-N 349.431 1.113 0 40 EDAB OC[C@@H]1CCCN1c1cc(NCc2cccc3c2OCO3)ncn1 72276170 GBXDWGXHWXNAKJ-ZDUSSCGKSA-N 328.372 1.779 0 40 EDAB COc1ccccc1C(=O)NC(=O)COC(=O)Cc1csc(C)n1 21241029 WOWLYIDADOYIJC-UHFFFAOYSA-N 348.380 1.502 0 40 EDAB CCc1nn(C)cc1CNC(=O)CCc1c(C)nc2ncnn2c1C 93006628 HCTMLVYQUZCNSD-UHFFFAOYSA-N 341.419 1.286 0 40 EDAB O=S(=O)(NC1CC1)[C@H]1CCN(C[C@@H](O)c2cc(F)ccc2F)C1 95973136 AQKHCKSGVIYNAJ-SWLSCSKDSA-N 346.399 1.154 0 40 EDAB CCc1cnc(CN(C(C)=O)[C@@H]2CCN(Cc3nccn3C)C2)o1 89289610 SUHWOGMYYHTTKV-CQSZACIVSA-N 331.420 1.594 0 40 EDAB CCN1CCC(NC(=O)CN2CCC[C@@H]2c2c(C)nn(C)c2C)CC1 75133102 SUERFYFNFITNAW-QGZVFWFLSA-N 347.507 1.774 0 40 EDAB COCCN(CC(=O)N(C)C)[C@H](C(=O)OC)c1ccccc1Cl 75141980 JXPYQJSUHQNUJR-HNNXBMFYSA-N 342.823 1.591 0 40 EDAB Cc1ccc([C@H](CNC(=O)NCc2cc[nH]n2)N2CCOCC2)o1 89652529 KQWPDISCOUFZEW-AWEZNQCLSA-N 333.392 1.184 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1OC 75572319 HDDLSCUJLXGPFW-NSHDSACASA-N 343.401 1.498 0 40 EDAB CSC1(CNC(=O)CCNC(=O)c2ccccc2)CCOCC1 76041088 VZJYNVUJVDACPO-UHFFFAOYSA-N 336.457 1.835 0 40 EDAB CCCC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccnc1 306131975 KULWVLHJFLXLPJ-HNNXBMFYSA-N 331.416 1.619 0 40 EDAB CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cccc(F)c2)nn1 1032704969 FDFRRMUKXIMPSH-GJZGRUSLSA-N 329.379 1.536 0 40 EDAB C[C@@H](CNC(=O)N1CCO[C@H](C)C1)CN(C)C(=O)OC(C)(C)C 78926341 ZDYGWMKLZDPWJE-QWHCGFSZSA-N 329.441 1.920 0 40 EDAB COCCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 78403018 QAUCXZCBJKYODV-GFCCVEGCSA-N 342.237 1.973 0 40 EDAB Cc1cc(C)cc(NC(=O)C(=O)NCc2nc(-c3ccco3)n[nH]2)c1 77840975 RSNBUUBVZRVQBT-UHFFFAOYSA-N 339.355 1.936 0 40 EDAB Cc1cc(N2CCC[C@H](NC(=O)c3cncnc3C3CC3)C2)n(C)n1 562627582 KCNYZRJFVXWKNN-AWEZNQCLSA-N 340.431 1.795 0 40 EDAB Cc1cnc([C@@H](C)NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)s1 79080901 WMMVZMIBTLLTDI-KGLIPLIRSA-N 338.477 1.876 0 40 EDAB Cc1noc(CN2CCN(CCc3ccc4c(c3)CCO4)CC2)n1 75751010 UDRZOCCVZXWLIA-UHFFFAOYSA-N 328.416 1.673 0 40 EDAB COC(=O)[C@@H]1Oc2ccc(F)cc2-c2nc(S(C)(=O)=O)ncc21 72207120 WWCUNHPICMRUGR-GFCCVEGCSA-N 338.316 1.293 0 40 EDAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCCCn1ccnc1)O2 40808695 WGBGKBAONUWMDM-KRWDZBQOSA-N 328.372 1.488 0 40 EDAB CCN(C)S(=O)(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1 81183232 ISXXOTBDHJYADH-HZPDHXFCSA-N 325.478 1.856 0 40 EDAB COc1ccc(C(=O)NCCCN2CCOCC2)c(OC)c1OC 45162955 GQJXLEPSHWFSJL-UHFFFAOYSA-N 338.404 1.165 0 40 EDAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NC2CCCCC2)s1 223556469 QZUKOTCIRVZPQZ-UHFFFAOYSA-N 332.451 1.744 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)Cc1cccc(N(C)C)c1 89923278 DHQPMJJIPBYKNR-ZBFHGGJFSA-N 346.475 1.297 0 40 EDAB CO[C@H](C)c1nc(CN2CCN(C(=O)[C@@H](N)C(C)C)CC2)cs1 195543854 KITKCNOODGEJHP-OCCSQVGLSA-N 340.493 1.478 0 40 EDAB O=C(NCCn1nnc2ccccc2c1=O)c1ccc2nccnc2c1 225797754 OWLKSGXEEPILPV-UHFFFAOYSA-N 346.350 1.165 0 40 EDAB COCC(=O)N1CCC[C@]2(CCC(=O)N2Cc2cccnc2)CC1 96218053 OJQRJLMMVLXHSK-SFHVURJKSA-N 331.416 1.602 0 40 EDAB COc1ccc(CN2CCN(C(C)=O)C[C@]3(CC(=O)N(C)C3)C2)cc1 97952740 IIANKUMIMVBQDX-IBGZPJMESA-N 345.443 1.208 0 40 EDAB CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)Cc3ccsc3)C2)O1 96063340 UCZOLNZMKRZQIS-DOTOQJQBSA-N 338.473 1.629 0 40 EDAB CC(C)c1ccccc1NC(=O)N(C)C[C@@H](O)CN1CCN(C)CC1 96424063 CPDHKVJWVOUNDW-MRXNPFEDSA-N 348.491 1.882 0 40 EDAB NC(=O)[C@H]1CCC[C@@H]1NC(=O)COc1ccccc1Br 96486527 RWECDUJWUAIYEM-ONGXEEELSA-N 341.205 1.598 0 40 EDAB Cn1ccnc1C(=O)NC[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21 96185330 UVCHFIBKXBRUTR-OAGGEKHMSA-N 344.415 1.280 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccncc2)Cc2ccnn2C1 96189072 MKTUTLMIXHAOMR-INIZCTEOSA-N 343.431 1.015 0 40 EDAB CC(C)C(=O)N1CCN(Cc2cccnc2)C[C@@]2(CCCC(=O)N2)C1 96238356 ZSKGJDFTUGZIDH-IBGZPJMESA-N 344.459 1.421 0 40 EDAB CC(C)n1cc([C@@]2(O)CCN(CCOc3ccc(F)cc3)C2)nn1 583618421 VGMMFZFDAFZWMN-QGZVFWFLSA-N 334.395 1.970 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)c2cnc3ccccc3n2)[C@@H]1c1cccnc1 583621057 SRIYWAAUJDPYOQ-QAPCUYQASA-N 347.378 1.727 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@@H]2CN(Cc3ccsc3)C[C@@H]2C1 96054136 OGQDGDRWXUZTMC-ZIAGYGMSSA-N 329.491 1.308 0 40 EDAB COc1ccc(CNC(=O)Cn2c(C)cc(O)cc2=O)cc1OC 96232744 MYDZQKNFGJWDIM-UHFFFAOYSA-N 332.356 1.196 0 40 EDAB CNS(=O)(=O)CCCSc1nncn1-c1cccc(OC)c1 96404767 JTIKUCSQSDLWFC-UHFFFAOYSA-N 342.446 1.307 0 40 EDAB COCc1nsc(N2CCC([C@@H]3OCC[C@@H]3C(=O)O)CC2)n1 578774668 KKCPDVMFUPFDSK-JQWIXIFHSA-N 327.406 1.391 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2cccnc2)[C@H]1c1ccc(F)cc1 96181772 NZACQBNELUMUSF-IAGOWNOFSA-N 343.358 1.435 0 40 EDAB O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(CCN1CCCCC1)C2 96038845 BIWBUFUYSPWPOC-SJLPKXTDSA-N 337.464 1.117 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)[C@H]1COc3ccc(Cl)cc3C1)CC2 97198072 HGNNOTFZVWKJLT-OCCSQVGLSA-N 346.818 1.922 0 40 EDAB Cn1cccc1C(=O)NC[C@]12COC[C@H]1CN(Cc1ccoc1)C2 96206862 IQXZZSKMNJJNBH-QAPCUYQASA-N 329.400 1.497 0 40 EDAB O=C(NCCCn1ccnn1)N[C@H]1CCCN(C2CCCCC2)C1 96502166 CYKYCXVPURWURZ-HNNXBMFYSA-N 334.468 1.765 0 40 EDAB O=C(Cn1ncn2nccc2c1=O)N[C@@H](c1ccccc1)C1CCC1 96405695 AWOXSSJRVCGAMY-KRWDZBQOSA-N 337.383 1.549 0 40 EDAB CCn1cc(N2C[C@@H](C(=O)NCc3ccc(OC)cc3)CC2=O)cn1 96101468 VFFKILBHSPTOLT-AWEZNQCLSA-N 342.399 1.581 0 40 EDAB Cc1ccc([C@H]2[C@H](C(=O)Nc3nccs3)OCC(=O)N2C)cc1 96181530 HUXLHQNJZOHKTK-UONOGXRCSA-N 331.397 1.989 0 40 EDAB COc1ncnc2c1CCN(c1cc(C(F)(F)F)ncn1)CC2 96255568 LAKUMAZBTVAQHB-UHFFFAOYSA-N 325.294 1.899 0 40 EDAB CCCCNC(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1 96259404 PWPPGVKZEIPIGI-UHFFFAOYSA-N 333.436 1.721 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(Br)cc1C 93441559 YUKBPMMQDCCIAI-STQMWFEESA-N 328.206 1.866 0 40 EDAB Cc1nc(-c2ccc(S(=O)(=O)N3CCCn4ncnc43)cc2)co1 96409748 CFVMDAQSDHFIIR-UHFFFAOYSA-N 345.384 1.841 0 40 EDAB CN(C)C[C@H]1OC[C@@H]2CCN(S(=O)(=O)c3cccs3)C[C@H]12 96185398 NTSDECKQZPHGDN-RWMBFGLXSA-N 330.475 1.335 0 40 EDAB O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc2cc[nH]c2c1 246159347 IWBSJWUKLYLVJQ-WRFANHODSA-N 349.390 1.705 0 40 EDAB O=C(c1ncccn1)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 247882456 VZEGQJHEQNZZLB-NSHDSACASA-N 346.387 1.790 0 40 EDAB CN[C@@H]1CO[C@@H]2CCN(C(=O)Cc3ccccc3C)C[C@@H]2C[C@@]1(C)O 257230252 GBLUCNYTWXDVNY-JRBPQWBISA-N 346.471 1.514 0 40 EDAB O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257257645 KQNLDWHNOZEKEA-NSHDSACASA-N 332.389 1.249 0 40 EDAB O=C(Cc1ccccc1F)N1CCOC[C@@H](Cc2ccncn2)C1 257272380 NCEPNHFZHPKUNZ-AWEZNQCLSA-N 329.375 1.876 0 40 EDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)CCN(C)Cc1cccnc1 257304796 SNEQOQJFZRJKGR-INIZCTEOSA-N 343.431 1.535 0 40 EDAB NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCCC2(CC2)C1 585121328 MDNGYROBKZGDFI-CQSZACIVSA-N 347.390 1.202 0 40 EDAB C[C@@H]1NC(=O)[C@H](C)N(S(=O)(=O)c2cnc3ccsc3c2)[C@H]1C 585115331 WVJMFGCBEBIHSE-GUBZILKMSA-N 339.442 1.582 0 40 EDAB Cc1ccc(Nc2scnc2C(=O)NCCS(C)(=O)=O)cc1 585122344 XNKXCDVBQNOUNB-UHFFFAOYSA-N 339.442 1.970 0 40 EDAB Cc1ccn(CC(=O)N=[S@](C)(=O)c2ccc(N(C)C)cc2)c(=O)c1 585134335 NTDNZDXFCKOKAF-XMMPIXPASA-N 347.440 1.906 0 40 EDAB CCO[C@@H]1C[C@H](Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)[C@H]1OC 585117701 SZLCUTYCLNVBDR-WNRNVDISSA-N 347.459 1.741 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(C(C)=O)C[C@H]1c1ccccc1 257319448 VSPAHXNYYWFQCL-INIZCTEOSA-N 339.461 1.478 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)NCC2(c3ccccc3)CC2)cn1C 26767175 MOUZCZXLSPNGMX-UHFFFAOYSA-N 347.440 1.395 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)c2cc(C(C)C)no2)n1 257336723 YPSNFAJFPWNNOO-ZDUSSCGKSA-N 332.360 1.816 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCCC[C@H]3CN(C(C)=O)CC[C@H]32)CC1 257277252 NXBPCIAXMGAOMM-ZWKOTPCHSA-N 349.475 1.494 0 40 EDAB O=C(COc1cccc(F)c1)N1CCOC[C@@H]1CCc1cnccn1 257280903 OMWDZNSPTAFQRO-INIZCTEOSA-N 345.374 1.855 0 40 EDAB O=C(O)C[C@H]1CN(C(=O)COc2ccc(F)cc2Cl)CCO1 262133909 LSQWNRCHJNREAI-JTQLQIEISA-N 331.727 1.560 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CC[C@@H]([C@@H](F)C(=O)O)C2)cc1C 1614994368 KAVDHJNLRYFXPO-BXUZGUMPSA-N 345.392 1.745 0 40 EDAB Cn1cnc([C@@H]2CNC[C@H]2C(=O)NCc2ccn(C3CCCC3)n2)c1 1614995808 JGYMGRGCFSNWON-HZPDHXFCSA-N 342.447 1.351 0 40 EDAB CC(=O)N1CCC2(CC1)CC[C@@]1(C(=O)N3CCCC3)CN(C)C[C@@H]21 96262432 XZCRPUCGFLOSBF-QFBILLFUSA-N 333.476 1.579 0 40 EDAB O[C@H]1[C@H]2C[C@@H]3[C@@H]4[C@@H]2C[C@H]([C@@H]4O)N(c2ccc(C(F)(F)F)cn2)[C@@H]13 606445131 SGPWDFMZSANYFV-RFYRKMKASA-N 326.318 1.665 0 40 EDAB CN1CCn2nc(NC(=O)N[C@H]3C[C@H]3c3cccc(F)c3)cc2C1=O 1615549075 JGWDIBPUKWKNHV-STQMWFEESA-N 343.362 1.785 0 40 EDAB CN(c1nnnn1Cc1ccc(C(=O)N2CCCC2)cc1)C1CC1 1616032943 VWZBYPKMILVXNS-UHFFFAOYSA-N 326.404 1.556 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CN(C(=O)c3cccs3)C[C@@H]21 585108544 RVRWZIHPMKSAEY-MGPQQGTHSA-N 343.408 1.869 0 40 EDAB COC[C@H]1CN(C)C2(C1)CN(S(=O)(=O)c1ccc(Cl)cc1)C2 585093966 UGOHVBIYZZSDJT-GFCCVEGCSA-N 344.864 1.681 0 40 EDAB Cc1[nH]c2ccc(CNC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2c1C 64901885 KHALVWICDKIEKQ-INIZCTEOSA-N 349.456 1.825 0 40 EDAB Cn1cc(CN2CCCN(C(=O)COc3ccccc3)CC2)cn1 65610802 YZXUTVIEIOCPAL-UHFFFAOYSA-N 328.416 1.533 0 40 EDAB COc1ccccc1CC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 66486387 JBBXHLZVIREEIA-INIZCTEOSA-N 346.427 1.478 0 40 EDAB COc1ccc2[nH]cc(CC(=O)NCc3n[nH]c(=S)n3C)c2c1 66625922 KLUKQWXSCSULDI-UHFFFAOYSA-N 331.401 1.826 0 40 EDAB CCc1ccsc1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 69571379 IGAVYDBPSOMYNP-OLZOCXBDSA-N 342.486 1.302 0 40 EDAB COCC(=O)NCC1CCN(C(=O)c2cccnc2SC)CC1 44001266 PKAIGEYRTFEINQ-UHFFFAOYSA-N 337.445 1.418 0 40 EDAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(O)nn2)cc1 48911437 KMCZPZHCVPETDK-LLVKDONJSA-N 328.372 1.641 0 40 EDAB O=C(CN1CCNC(=O)[C@H]1c1cccs1)NCc1ccc(F)cc1 72799857 HTFUHHSNOUCYLW-MRXNPFEDSA-N 347.415 1.677 0 40 EDAB COc1cccc(C(=O)NCCNc2ncccn2)c1OC(F)F 57061022 NACYPJPDWKVZFL-UHFFFAOYSA-N 338.314 1.929 0 40 EDAB C[C@H]1Cc2ccc(F)cc2CN1Cc1nc(CS(C)(=O)=O)no1 75764958 KWNVUIWUGWQISP-JTQLQIEISA-N 339.392 1.700 0 40 EDAB CS(=O)(=O)CCNC(=O)C1(c2cccc(Br)c2)CC1 79623106 VEHRVQKBUZQQQF-UHFFFAOYSA-N 346.246 1.642 0 40 EDAB Cc1nn(C[C@H](O)C(F)(F)F)c(C)c1S(=O)(=O)NC(C)(C)C 97141617 UXPKGNHNHJLQHA-VIFPVBQESA-N 343.371 1.500 0 40 EDAB COC(=O)[C@@H](CC(C)(C)C)NC(=O)[C@H](C)n1cnc2c(N)ncnc21 597799902 YEPKLSFCYQTHDG-VHSXEESVSA-N 348.407 1.064 0 40 EDAB O=c1cccnn1CCNS(=O)(=O)c1cccc(C(F)(F)F)c1 11856377 JLUPDBZVVNAHKK-UHFFFAOYSA-N 347.318 1.241 0 40 EDAB CCCCNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 14400356 RKOVCNMGMXTJOR-UHFFFAOYSA-N 328.434 1.373 0 40 EDAB COCCNC(=O)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 206689886 SRCRHDOTPWBVGQ-ZDUSSCGKSA-N 326.418 1.281 0 40 EDAB CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccs1 8683755 NJOSJBPDEMXBAU-JTQLQIEISA-N 333.369 1.519 0 40 EDAB O=C(NCc1ccco1)c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1 12229802 XPLIDKLZYPJWKU-LBPRGKRZSA-N 349.412 1.643 0 40 EDAB COC(=O)c1ccc(NC(=O)CN(C)CCc2ccccn2)cc1 6343633 YYYQSSZOURTYOI-UHFFFAOYSA-N 327.384 1.981 0 40 EDAB COc1ccccc1N1CCN(C(=O)c2cc3c(nn2)CCC3)CC1 1888873366 QRQVCGBVSMNAIO-UHFFFAOYSA-N 338.411 1.936 0 40 EDAB O=S(=O)(N[C@H]1CCCN(c2ncnc3cnccc23)C1)C1CC1 1888876355 NPYNSSZZQWJAHM-NSHDSACASA-N 333.417 1.075 0 40 EDAB OCCN1CCN(c2ncc3cc(Br)ccc3n2)CC1 1889101208 PQLZFPAGGREEDV-UHFFFAOYSA-N 337.221 1.507 0 40 EDAB COCc1nsc(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 1889108564 REQMYSNEKFKMPL-NSHDSACASA-N 342.490 1.476 0 40 EDAB CCn1cnc2c(N3C[C@H]4CN(c5ncccn5)C[C@@H]4C3)ncnc21 2087030042 NKPLJTMDIXHQMT-STQMWFEESA-N 336.403 1.209 0 40 EDAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)[C@@H]2CCOC2)cn1 2055718119 UKWOPAFXXLZZAE-IXDOHACOSA-N 333.432 1.395 0 40 EDAB COCCNC(=O)[C@]1(Nc2ccccc2)CCCN(C(=O)C(C)C)C1 2055754601 HKGJSRYHDZCKJJ-IBGZPJMESA-N 347.459 1.878 0 40 EDAB COc1cc(C)n(CCNC(=O)COc2ccccc2OC)c(=O)c1 225614791 BUJLEYLRPPNTJR-UHFFFAOYSA-N 346.383 1.369 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)c1c(O)c2cccnc2[nH]c1=O 49411704 QGYUEDDLYORTFZ-UHFFFAOYSA-N 339.307 1.287 0 40 EDAB Cc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1F 30583779 RRSZYEQMHKWFIF-CYBMUJFWSA-N 328.409 1.678 0 40 EDAB COc1ccc(CCNC(=O)C(=O)Nc2cccc(O)c2)cc1OC 40287890 XWPMBNFVQABSJE-UHFFFAOYSA-N 344.367 1.707 0 40 EDAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1COCCO1)CC3 30848597 GEGUXVWWSMBEMK-MRXNPFEDSA-N 344.367 1.255 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CCO1 50856383 KTOYAWBCJKWYLO-ZDUSSCGKSA-N 344.392 1.634 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)o1 40513879 SPTZJIHGTWKDBS-UHFFFAOYSA-N 326.349 1.299 0 40 EDAB CCC(=O)NC1CCN(Cc2cc(=O)n3nc(CC)sc3n2)CC1 40540288 JMGJAOZKDJDOEZ-UHFFFAOYSA-N 349.460 1.204 0 40 EDAB O=C(NCCNc1ncccn1)c1ccccc1OC[C@H]1CCCO1 40513649 NQWAXXINQSKKNB-CQSZACIVSA-N 342.399 1.876 0 40 EDAB COc1ccc(OCCN(C)S(=O)(=O)c2cnn(C)c2)cc1 40528069 YWQBIYCFJDXAPR-UHFFFAOYSA-N 325.390 1.128 0 40 EDAB Cc1nc2ccccc2c(=O)n1CCCC(=O)NC[C@@H]1CCCO1 40505815 WLLGTKSPQFEZHU-AWEZNQCLSA-N 329.400 1.780 0 40 EDAB O=C(NN1CCCCC1=O)[C@H]1CCCN1C(=O)Cc1cccs1 102641142 TUMKTUTXJPOLNZ-CYBMUJFWSA-N 335.429 1.325 0 40 EDAB C[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 103325985 ZTKRXFXWKXDYOD-VXGBXAGGSA-N 325.434 1.393 0 40 EDAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(O)cc3)ccc21 803011 CVQODQVREQLUIK-UHFFFAOYSA-N 332.381 1.967 0 40 EDAB CCNC(=O)c1ccc2c(c1)nc1n2CCN(C[C@H]2CCCO2)C1 23411497 IZCDKEKIRJIIKN-CQSZACIVSA-N 328.416 1.781 0 40 EDAB COc1ccc([C@@]2(C)SC(NC(C)=O)=NN2C(C)=O)cc1OC 201324 FTIVBJDJHDHTCA-OAHLLOKOSA-N 337.401 1.879 0 40 EDAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccccc1CC(=O)NC1CC1 71285040 NKVJBJBDYAVHLR-GJZGRUSLSA-N 330.384 1.803 0 40 EDAB CN(C)c1nc(N)nc(CS(=O)(=O)c2ccccc2Cl)n1 47621496 WULQSVNZFCCLIO-UHFFFAOYSA-N 327.797 1.147 0 40 EDAB CN(CC(=O)Nc1cccnc1)C1=NS(=O)(=O)c2ccccc21 24332752 GHXJVZVLFWXUIH-UHFFFAOYSA-N 330.369 1.101 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)N[C@@H](CO)C(C)(C)C)n1 78821520 IVZGQYOKWBUTQI-JTQLQIEISA-N 329.422 1.777 0 40 EDAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCC[S@@](=O)c1ccccc1 78869978 CFKKXYLEVIZDQX-OCGLXOCMSA-N 336.457 1.907 0 40 EDAB Cn1nccc1CNC(=O)c1ccc(CN2CCCCC2=O)cc1 24650344 OCAODYAVTSKNSG-UHFFFAOYSA-N 326.400 1.863 0 40 EDAB CCNC(=S)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 4131796 LGWKNGDCMVDPNK-UHFFFAOYSA-N 333.457 1.915 0 40 EDAB C[C@@H](O)CNC(=O)/C(=C\c1cccn1C)NC(=O)c1ccccc1 4983680 IGRVFFYXLKYIGB-KWWJGWKXSA-N 327.384 1.293 0 40 EDAB C[C@H]1c2ccccc2O[C@H]1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 107057283 GPMUPNMKBGBJGQ-YQYZPQCESA-N 330.428 1.730 0 40 EDAB O=C(CCN1CCN(c2cnccn2)CC1)Nc1ccccc1F 26170865 HGXXBPWAQITDCD-UHFFFAOYSA-N 329.379 1.767 0 40 EDAB O=C(Cc1cccnc1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 108143366 VJWNGDKZFCQHHE-OALUTQOASA-N 339.439 1.623 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)C[S@@](=O)[C@H](C)c2cccs2)C1 108110537 ILFWSKFATLKHNI-GHIWOLQHSA-N 342.486 1.685 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)NCCn3ccnc3)CC2)s1 56797551 VUNGQRUHPTZMOH-UHFFFAOYSA-N 347.444 1.421 0 40 EDAB CCS(=O)(=O)NCC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 95442723 VTJYDHQGQMBFBN-UHFFFAOYSA-N 349.456 1.813 0 40 EDAB CCCCNC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3 1784832 VBKHQOREZXUUGK-JTQLQIEISA-N 334.445 1.894 0 40 EDAB COCC(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(C)=O)CC1 100223276 RYDANPDJSWXPBN-VNHYZAJKSA-N 339.461 1.889 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)Cn1cnc2c(C)cccc2c1=O 58216244 AODWBLGUYDQIKP-CQSZACIVSA-N 329.400 1.590 0 40 EDAB CCn1cc(NS(=O)(=O)c2ccc(OCC(=O)O)c(C)c2)cn1 58245647 GRVVPBQWZYOQKI-UHFFFAOYSA-N 339.373 1.476 0 40 EDAB O=S(=O)(c1cccc(-n2cnnn2)c1)N1CC[C@H]1c1ccccc1 58210904 SNRSXPBHLNBBLX-INIZCTEOSA-N 341.396 1.798 0 40 EDAB Cc1cc(C(=O)Nc2ccn(CC(N)=O)n2)c2ccc(F)cc2n1 58244389 NGLLPUYBYZXKCR-UHFFFAOYSA-N 327.319 1.616 0 40 EDAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O)cc1OC 44966166 IKWLBMSSDZHAKB-MNOVXSKESA-N 329.418 1.623 0 40 EDAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NC[C@H]1CCS(=O)(=O)C1 44907957 ZXJCHLAIMFHLEH-LLVKDONJSA-N 347.868 1.665 0 40 EDAB Cc1ncc(CN(C)Cc2ccc(S(=O)(=O)N(C)C)o2)s1 44978041 BBUPFQRXRLPPTN-UHFFFAOYSA-N 329.447 1.927 0 40 EDAB O=C(NC1CC1)C1CCN(Cn2nc(-c3ccccc3)oc2=O)CC1 58343147 PRPOMLJJUAGFPH-UHFFFAOYSA-N 342.399 1.451 0 40 EDAB O=C(CSc1nncn1CCc1cccs1)N1CCNC1=O 11106952 ICLIFXRCGVCHEE-UHFFFAOYSA-N 337.430 1.226 0 40 EDAB Cc1cc(NC(=O)CSCC(=O)N[C@@H](C)c2ccccn2)no1 28780416 RHDDQABUMBJTDP-NSHDSACASA-N 334.401 1.927 0 40 EDAB O=C(CSc1nnc2ccccn12)NC(=O)NC1CCCCC1 2639880 DTLBEECKWPZIRS-UHFFFAOYSA-N 333.417 1.980 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(F)cc(F)c2)C1 57319571 LVHWKOZGYIAOMO-NWDGAFQWSA-N 340.370 1.968 0 40 EDAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 12200194 YMKVENOMAYSHNC-UHFFFAOYSA-N 337.382 1.597 0 40 EDAB in-vitro CCn1c(=O)c2c(nc3n2CCN3c2cccc(OC)c2)n(C)c1=O 12648369 NKIUETZSRHUKRC-UHFFFAOYSA-N 341.371 1.077 0 40 EDAB Nc1nccnc1C(=O)OCC(=O)Nc1ccc2c(c1)OCCCO2 12622519 BXOJFUANWIDUPL-UHFFFAOYSA-N 344.327 1.016 0 40 EDAB CCCCN(C)S(=O)(=O)NC[C@H](c1ccco1)N1CCCC1 48286912 JCXKXISANYPGLC-CQSZACIVSA-N 329.466 1.983 0 40 EDAB Cc1noc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)n1 48234401 XGFXJSKSRNWUGW-HNNXBMFYSA-N 330.300 1.074 0 40 EDAB Cc1cc(C(=O)COC(=O)C(C)C)c(C)n1[C@@H]1CCS(=O)(=O)C1 22018535 QLNXJYOFCKERGE-CYBMUJFWSA-N 341.429 1.846 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cnn(C)c1 12856081 HBCFDWIIVAUXDD-KFRNIWOLSA-N 348.428 1.300 0 40 EDAB COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 65404028 CSYXEOZTMLQBTP-CYBMUJFWSA-N 332.400 1.724 0 40 EDAB O=C(CC1CCCCC1)NCCNC(=O)C(=O)Nc1nccs1 75126768 IJZXDLRRKJFNRN-UHFFFAOYSA-N 338.433 1.284 0 40 EDAB CN(CCn1cncn1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 75131080 AQWCRVJCGXOQFY-AWEZNQCLSA-N 331.424 1.135 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)NCc2ccc(C(=O)O)cc2)c1 13261610 YTGPMFWQKPKXDQ-UHFFFAOYSA-N 347.392 1.859 0 40 EDAB Cc1ccc(NC(=O)N[C@H]2CCCc3cn(CC(N)=O)nc32)cc1 96002677 RTSJSJXEOGFHCP-AWEZNQCLSA-N 327.388 1.876 0 40 EDAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)N1CCCC1)O2 64988370 ZLPVAEWIYCASMU-OAHLLOKOSA-N 338.429 1.535 0 40 EDAB Cc1csc([C@H]2CN(CC(=O)Nc3c(C)nn(C)c3C)CCO2)n1 65458749 NSMYFSMBKPKUDF-CYBMUJFWSA-N 349.460 1.814 0 40 EDAB Cc1ncncc1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 65446683 ZPDXSNDSGLTWLN-UHFFFAOYSA-N 343.406 1.476 0 40 EDAB CNC(=O)c1cccc(CNC(=O)[C@@H](OC[C@@H]2CCCO2)C(C)C)c1 65539279 CKILBBMXSXRGPF-IRXDYDNUSA-N 348.443 1.883 0 40 EDAB CCc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)s1 65520646 FRNZTIHBEWDAAP-NSHDSACASA-N 330.475 1.854 0 40 EDAB Cc1[nH]ncc1S(=O)(=O)N(C)Cc1cnn(-c2ccccc2)c1 65567499 ZRTNKLDDNQSNPJ-UHFFFAOYSA-N 331.401 1.725 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)NCc3nnc4ccccn34)cnc12 14168600 YDALSOZVBXNSKG-UHFFFAOYSA-N 348.366 1.064 0 40 EDAB COc1cccc([C@H](CNC(=O)N[C@@H](C)Cn2cccn2)N(C)C)c1 89904373 GALLJPSDLPBHCK-YOEHRIQHSA-N 345.447 1.882 0 40 EDAB CC(C)NC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3 5484371 HNXWFOIWAQCYEL-UHFFFAOYSA-N 342.424 1.982 0 40 EDAB COC(=O)C1CCN(C(=O)COC(=O)c2cc3ccccc3[nH]2)CC1 5492357 BTCWWVPDFXVLBS-UHFFFAOYSA-N 344.367 1.736 0 40 EDAB CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C2CCCC2)cc1 67896942 JWODGFNCQAFLCG-NVXWUHKLSA-N 332.400 1.706 0 40 EDAB biogenic,in-vitro COc1ccccc1N(CC(=O)N(C)C)S(=O)(=O)c1ccccc1 22278261 GFEMBUNLSNVUSX-UHFFFAOYSA-N 348.424 1.979 0 40 EDAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 5792278 ABGRAMCSICVVGD-INIZCTEOSA-N 333.294 1.943 0 40 EDAB COC(=O)c1ccc2c(=O)n(N)c(SCc3ccncc3)nc2c1 71768719 RCZYGENZZKKUOO-UHFFFAOYSA-N 342.380 1.584 0 40 EDAB O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@H]1CCN(C2CC2)C1 95955383 VLVKRASDZHMFJN-JTQLQIEISA-N 329.322 1.220 0 40 EDAB CCCNC(=O)CSc1nnc(COc2ccccc2F)n1N 15278721 KVWHPZKSRIISSO-UHFFFAOYSA-N 339.396 1.328 0 40 EDAB CN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H]1c1ccc(Cl)cc1 90002102 JNBRDTGMYUAKNK-CZUORRHYSA-N 346.818 1.609 0 40 EDAB Cc1n[nH]c(C(=O)N2CCC[C@H]2Cn2cccn2)c1Br 71866623 SLQJBLRXJQPULW-JTQLQIEISA-N 338.209 1.982 0 40 EDAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O 15825179 ZSKPIQSWALSQPH-JTQLQIEISA-N 344.396 1.366 0 40 EDAB O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@@H]1Cn1cccn1 71866240 ZWIMIMVALCVAML-CQSZACIVSA-N 340.383 1.872 0 40 EDAB COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cnccn2)cc1 68112833 RWVADIMIFWDMQU-CQSZACIVSA-N 344.396 1.639 0 40 EDAB NC(=O)CCCNC(=O)CCc1ccc(Br)cc1F 71841876 YPWDEVYVGANJCA-UHFFFAOYSA-N 331.185 1.903 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(Br)s2)CC1 71871005 INNAVQJSROOIHE-SECBINFHSA-N 333.251 1.649 0 40 EDAB CNC(=O)C1CCC(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 68795768 LFVSNCPXSZFCRE-MOKVOYLWSA-N 335.448 1.199 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N(C)C)cn2)CC1 68805409 VAXWHDKGZVJYTF-UHFFFAOYSA-N 340.449 1.148 0 40 EDAB NC(=O)C1CCN(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)CC1 71817258 MGNKZZLLSVLGIH-UHFFFAOYSA-N 344.337 1.294 0 40 EDAB Cc1cc(S(=O)(=O)Nc2ccc(-n3cnnn3)c(C)c2)c(C)o1 95988601 SNLQPXVDCCZGND-UHFFFAOYSA-N 333.373 1.981 0 40 EDAB Cc1cc(CN2CCN(Cc3cnc4c(c3)c(C)nn4C)CC2)on1 69161155 BLQJMEVWSDNTLS-UHFFFAOYSA-N 340.431 1.891 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(=O)n(C)n1 95948064 ZFRKKZONPHWHCS-NSHDSACASA-N 349.412 1.017 0 40 EDAB C[C@@H](CCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 69459000 PXWTVNRDLZHBOD-GOEBONIOSA-N 338.473 1.968 0 40 EDAB CN(C)CCN(CCc1ccccc1)C(=O)c1ccc2nncn2c1 69491120 BOFPZKZPCDQFJR-UHFFFAOYSA-N 337.427 1.976 0 40 EDAB CCCCn1nnnc1CNC(=O)N[C@](C)(C(=O)O)c1ccccc1 69460570 QRQMKZATBANFBK-INIZCTEOSA-N 346.391 1.272 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc(Cl)ccn2)CC1 69535370 NOYFWAKUXFCAPG-AWEZNQCLSA-N 336.823 1.289 0 40 EDAB CCN(CC)CCCN(C)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 69596635 NHQIMIBETMHBFU-AWEZNQCLSA-N 334.464 1.776 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)nn1 69512630 VTQXYOJYUBNTOH-KRWDZBQOSA-N 338.411 1.827 0 40 EDAB C[C@H](c1cccc(F)c1)N1CCN(CCCS(C)(=O)=O)CC1 91980962 KHCAINGDSXVFLE-CQSZACIVSA-N 328.453 1.939 0 40 EDAB O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc2[nH]nnc2c1 69769533 KSOALECOPFCHLP-OAHLLOKOSA-N 335.367 1.883 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)CCOc2ccc(F)cc2Cl)C1 69740878 XRILRNRCQQHCJC-JTQLQIEISA-N 328.771 1.972 0 40 EDAB CS(=O)(=O)NCCC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 69842732 FCAUSWAFWMGESX-HZPDHXFCSA-N 338.473 1.843 0 40 EDAB C[C@H](NC(=O)CN1CCCN(c2nc3ccccc3[nH]2)CC1)C1CC1 69812500 JNVAANVZFOOKOI-AWEZNQCLSA-N 341.459 1.990 0 40 EDAB COc1ccc(CC(=O)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 408626126 ZYYJZCSXZIDIMK-OZINRZGZSA-N 337.375 1.817 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)Cc2ccc(OC)cc2OC)CC1 69976318 VONKTEQVJUQAHL-OAHLLOKOSA-N 336.432 1.161 0 40 EDAB CC(C)[C@H](NC(=O)CCCn1c(O)nc2ccccc2c1=O)C(=O)O 8972268 WOVSOUGNKRKOSI-AWEZNQCLSA-N 347.371 1.108 0 40 EDAB biogenic CN1CCN(c2ncc(CN3CCC[C@@H](n4cccn4)C3)cn2)CC1 92967909 UAUYDIUIQDDXOX-QGZVFWFLSA-N 341.463 1.262 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)NCC2(c3ccc(F)cc3)CCC2)CCO1 84393154 WGJAQOLLEMVXHY-AWEZNQCLSA-N 335.379 1.143 0 40 EDAB CN(C)c1cc(CNC(=O)NC[C@@H](O)C2CC2)c2ccccc2n1 74928226 PNFRRXDDOJKCQQ-MRXNPFEDSA-N 328.416 1.871 0 40 EDAB CC(C)N1C(=O)N[C@]2(CCN(C[C@](C)(O)c3ccccc3)C2)C1=O 84597320 DFJNQKUTNXLWIC-ROUUACIJSA-N 331.416 1.299 0 40 EDAB Cc1cnn(CCC(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)c1 95397606 FICJHKVITAECIA-YESZJQIVSA-N 334.464 1.587 0 40 EDAB C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)NC(=O)NC1CC1 9944339 DJMBKFIONFYDKL-LURJTMIESA-N 337.430 1.742 0 40 EDAB C[C@@H]1CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C[C@@H]1N(C)C 76050456 XHQVXYCJSUAABR-PWSUYJOCSA-N 331.338 1.276 0 40 EDAB COC(=O)C[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1 89400734 QCLSQOWYNPQSSV-MRXNPFEDSA-N 333.363 1.775 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H]3Cc4ccccc4S3)CCO2)n1 76045193 LSHZURFBYWNERY-TZMCWYRMSA-N 330.413 1.730 0 40 EDAB O=C(Cn1ncn2nccc2c1=O)N1CCCCC[C@H]1c1ccco1 76496200 GVVRBDBMQGUUFG-ZDUSSCGKSA-N 341.371 1.628 0 40 EDAB C[C@H](C(=O)O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 89598263 YHLCJIMYAMHGMR-SNVBAGLBSA-N 330.306 1.936 0 40 EDAB COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3C)c(OC)c2c1OCO2 66091461 WVZDEXFBVSSSOC-VIFPVBQESA-N 345.355 1.949 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 24482389 CUPBDZONHQXANX-GFCCVEGCSA-N 348.353 1.710 0 40 EDAB CCCCn1c(=O)c2cc3c(=O)n(CCCC)c(=O)c3cc2c1=O 39234711 CGXKBONRPWMBMY-UHFFFAOYSA-N 328.368 1.513 0 40 EDAB CCCNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 409193080 BJCPGVKGZYISBJ-UHFFFAOYSA-N 328.434 1.526 0 40 EDAB Cn1cc(CN2CC3(C[C@@H](CCOc4cnccn4)CCO3)C2)cn1 306125798 DCRJKSHIUUHYFR-HNNXBMFYSA-N 343.431 1.660 0 40 EDAB O=C(CC1(Cn2cnnn2)CCCCC1)NCCNc1ncccn1 524732725 XHCXNDSWOVBDCC-UHFFFAOYSA-N 344.423 1.032 0 40 EDAB O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cccc2ncnn12 526081741 PAIIDAIGSBNZNE-INIZCTEOSA-N 335.411 1.981 0 40 EDAB COc1ccccc1Oc1cncc([C@H]2CCCN(CC(N)=O)C2)n1 72361840 WEBIEZHGJHWEAD-ZDUSSCGKSA-N 342.399 1.942 0 40 EDAB O=C(NCc1ncc(Br)cn1)N[C@@H]1CC12CCOCC2 1548452867 NZBIAAHMDHXSDB-SNVBAGLBSA-N 341.209 1.607 0 40 EDAB O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)[nH]1)[C@H]1CC=CCC1 36390997 DZNSSUFJQCSAGG-NSHDSACASA-N 347.400 1.900 0 40 EDAB C[C@H](c1nnnn1C)N1CCN(Cc2ccc(F)cc2Cl)CC1 188657780 WSCOEJDMMMKFDF-LLVKDONJSA-N 338.818 1.881 0 40 EDAB CN1CCC(CNC(=O)C(=O)Nc2ccc3ncccc3c2)CC1 77823463 IKQIRGMRPDGRKI-UHFFFAOYSA-N 326.400 1.631 0 40 EDAB Cc1cc(C(=O)Nc2nc3c(s2)CN(S(C)(=O)=O)CC3)no1 75157916 CZHAKUCYLRYWGB-UHFFFAOYSA-N 342.402 1.010 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)c2ccco2)cc1 75156288 AYZKNCTTZSIMLI-KRWDZBQOSA-N 346.339 1.029 0 40 EDAB CN1CC(=O)N(C(=O)CSc2nccn2C)c2ccccc2C1=O 40385983 XMABKSCHVPOXRO-UHFFFAOYSA-N 344.396 1.158 0 40 EDAB Cc1cc(-c2noc(CNC(=O)c3c(C)nc4ccccn34)n2)no1 225812645 FDTDWCVPDUFGEU-UHFFFAOYSA-N 338.327 1.919 0 40 EDAB O=C1CC[C@H](N=c2nc(C3CCCC3)[nH]s2)[C@H]([C@H]2CCCO2)N1 572591705 OGIKIWVGFJDQPH-OUCADQQQSA-N 336.461 1.856 0 40 EDAB Cc1nn(C)c(N)c1[C@]1(O)C(=O)Nc2ccc(Br)cc21 227173499 TZLCWSPPYSVJNG-ZDUSSCGKSA-N 337.177 1.261 0 40 EDAB Cc1nc(Cc2ccccc2)ncc1C(=O)N1CCC(C(N)=O)CC1 225794858 POYDVYUHXLLHGE-UHFFFAOYSA-N 338.411 1.713 0 40 EDAB CCc1nnc2n1C[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 97199515 UJNNSVKFWCJSJI-JQWIXIFHSA-N 348.838 1.821 0 40 EDAB Cc1oncc1COC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 584908595 IAJVBFDRJURMBO-AWEZNQCLSA-N 328.328 1.146 0 40 EDAB COc1ccc(Cl)cc1C(=O)NC[C@@H](O)Cn1ccccc1=O 96124350 KMECEBXLULIEIB-GFCCVEGCSA-N 336.775 1.301 0 40 EDAB O=C(CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)N(C1CCCC1)C1CC1 583619683 GQXBZMFYEKBIBB-KURKYZTESA-N 336.476 1.782 0 40 EDAB CCS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]2CCCO[C@@H]21 96040637 DUXOPJLPKYUVGC-BBWFWOEESA-N 338.473 1.605 0 40 EDAB CN(C)CCN1CCC(NC(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1 96499705 NYWAKYNDLRIWDY-HNNXBMFYSA-N 340.512 1.658 0 40 EDAB O=C([C@@H]1CCCO1)N1CCc2c(CNc3nccs3)n[nH]c2C1 96255870 MEGQURDMDNEIEL-ZDUSSCGKSA-N 333.417 1.542 0 40 EDAB COc1ncnc2c1CN([C@@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 97201786 OMOKFFLORSROCV-JTQLQIEISA-N 347.806 1.919 0 40 EDAB Cc1cccc(NC2CCN(C(=O)NCCN3CCOCC3)CC2)c1 96422073 POCZQIWMTPBUQG-UHFFFAOYSA-N 346.475 1.913 0 40 EDAB Cn1nnc2c1[C@H](COCc1ccncc1)CN(C[C@@H]1CCOC1)C2 96045493 VZWVRSRBTLVYAF-HOTGVXAUSA-N 343.431 1.363 0 40 EDAB CCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1cccs1)C2 96108368 QMMVKBLKMLXIKA-OCCSQVGLSA-N 330.475 1.136 0 40 EDAB Cc1cccc(CN2CC[C@@]3(CCN(C(=O)CN(C)C)C3)C2=O)c1 96159639 OMTNVPJOIAFKSJ-IBGZPJMESA-N 329.444 1.508 0 40 EDAB COCCN1CCC2(CC1)CN(Cc1csc(C)n1)C(=O)CO2 96201427 GQAIANMUEXMJOS-UHFFFAOYSA-N 339.461 1.291 0 40 EDAB Cn1cc(C(=O)N2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)cn1 248147597 SHKCZTCKYYKBIV-RRFJBIMHSA-N 327.388 1.014 0 40 EDAB CC(C)S(=O)(=O)N1C[C@@H](O)[C@H](N(C)Cc2ccc(F)cc2)C1 257319905 VUNXAXOSXORQTM-HUUCEWRRSA-N 330.425 1.041 0 40 EDAB CC(=O)NCC(=O)N1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 257276261 NTAINJYZGUOEEE-BXWFABGCSA-N 343.427 1.524 0 40 EDAB O=C(c1cnn2c1OCCC2)N1CCN(Cc2ccccn2)CC1 85555369 MOXSIGFJUPYKQC-UHFFFAOYSA-N 327.388 1.019 0 40 EDAB CCc1cc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3Nc3cnccn3)C2)no1 257248397 JDLTXYWCHXARNZ-IACUBPJLSA-N 327.388 1.990 0 40 EDAB Cc1cc(CN2CCC[C@@H](Cc3[nH]ncc3S(C)(=O)=O)C2)no1 257288046 PSOMUHLFDQNNKM-LBPRGKRZSA-N 338.433 1.564 0 40 EDAB CC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2cnn(C)c2)CC[C@@]1(C)O 604382298 NOBVJUGTAIDVAU-GBESFXJTSA-N 342.443 1.623 0 40 EDAB biogenic,in-vitro CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(c1cnnc(O)c1Cl)C2 596449869 LUFMQTICJMHMNM-RFAUZJTJSA-N 341.795 1.630 0 40 EDAB CCn1c(-c2ncccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1615614039 DTIOIXFEACTWEQ-UHFFFAOYSA-N 343.435 1.450 0 40 EDAB COCO[C@@H]1CCO[C@@H]1[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1 601014520 MZNXWVNRRBHRNU-QMVSFRDZSA-N 332.393 1.436 0 40 EDAB CC(C)(C)n1nnc(CNC(=O)N[C@@H]2COc3ccc(F)cc3C2)n1 654569263 LVQHODMEHLWUCQ-LBPRGKRZSA-N 348.382 1.370 0 40 EDAB CO[C@@]1(COc2ccccc2)COCCN(C(=O)c2ccon2)C1 585269343 PTXMGOQIPBNZNI-QGZVFWFLSA-N 332.356 1.611 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)c1ccnc(N2CCCC2)c1 585287932 IJJGIHUHULXQCH-INMHGKMJSA-N 349.431 1.183 0 40 EDAB Cc1n[nH]c(C)c1CN1CCOC[C@](O)(COc2ccc(F)cc2)C1 585275211 AJWDJQFOBSETHA-SFHVURJKSA-N 349.406 1.808 0 40 EDAB O=C(C1CC(O)C1)N1C[C@H]2c3ccccc3[C@H](N3CCOCC3)[C@H]2C1 585109372 MAUPQUWUTPYKDS-UTNCWTRNSA-N 342.439 1.386 0 40 EDAB Cc1ccccc1OC[C@@]1(O)COCCN(C2CCN(C)CC2)C1 585275369 DGFSNRGEIFNYLC-IBGZPJMESA-N 334.460 1.531 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ccncn1 585288308 UUIRYJVOSCTKBI-SUMWQHHRSA-N 332.404 1.155 0 40 EDAB O=C([C@H]1CC=CCC1)N1CCN(c2nnnn2-c2ccccc2)CC1 36762980 ACEJDGWYJZSOGR-HNNXBMFYSA-N 338.415 1.667 0 40 EDAB COCC(=O)NC[C@@H]1[C@@H](C)C[C@@H]2[C@H]1CC(=O)N2Cc1ccccc1 1775963909 JIDCBUXAWBVXLN-QMCVQRASSA-N 330.428 1.822 0 40 EDAB biogenic,in-vitro O=S1(=O)CC[C@H](CNCc2cc(Cl)c3c(c2)OCCO3)C1 37982623 IXHPZAICRFVWJC-SNVBAGLBSA-N 331.821 1.636 0 40 EDAB COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 172343632 ALWSKNYKOUDRNU-AWEZNQCLSA-N 332.759 1.321 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@@H](n3cncn3)C2)ccc1=O 75583680 AIVVXBWJTFFRGV-CYBMUJFWSA-N 330.392 1.112 0 40 EDAB CCn1c(C2CCN(C(=O)c3ccco3)CC2)nn(CCOC)c1=O 77147380 UTGIJIBQTVCBSI-UHFFFAOYSA-N 348.403 1.324 0 40 EDAB Cc1ccc2nc(CN3CCCC[C@H]3C(=O)N3CCOCC3)cn2c1 84074546 OTFQWLNTIHOVLH-KRWDZBQOSA-N 342.443 1.856 0 40 EDAB NS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cccs2)c1 40218575 CYAUQPQZWPPVMS-UHFFFAOYSA-N 333.416 1.164 0 40 EDAB C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2CCN3CC[C@H](OC1=O)[C@H]23 649 BTHCJHQOYFUIMG-QKISFLRASA-N 337.416 1.273 0 40 EDAB biogenic COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OC 5018796 GZQNBNISUKEMMN-RUDMXATFSA-N 340.719 1.335 0 40 EDAB Cc1cc(C(=O)N2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)nc(O)n1 1615087157 XHTVAFHHIVCZQH-CJNGLKHVSA-N 345.374 1.695 0 40 EDAB COc1nn(C)cc1C(=O)NCc1cc(-c2cccs2)nn1C 1775966440 FBNIBADRLTZZPX-UHFFFAOYSA-N 331.401 1.821 0 40 EDAB CCOCCCNC(=O)Cn1nc(CC)n2c(cc3occc32)c1=O 5149410 JECDQZSVNXCQLL-UHFFFAOYSA-N 346.387 1.347 0 40 EDAB c1cc2nnnn2nc1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 11085220 UTTAIJKLHYSRFR-GFCCVEGCSA-N 339.407 1.221 0 40 EDAB CCn1c2ccccc2n2c(=O)n(CC(=O)NC3CCCCC3)nc12 12117670 MRNPTUSAXICTJP-UHFFFAOYSA-N 341.415 1.920 0 40 EDAB CN1C(=O)N(CC(=O)NCc2ccccc2F)c2cccnc2N1C 12145116 PLHPGLMDSNRSCJ-UHFFFAOYSA-N 343.362 1.760 0 40 EDAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCc4ccccc4C3)ccc21 15338961 BCQBXJGQJHARSM-UHFFFAOYSA-N 349.390 1.908 0 40 EDAB O=C(COc1ccc(Cl)cc1Cl)N[C@@H]1C[C@H](O)[C@@H](CO)C1 107286669 JZFNZHUERANLRO-QRTLGDNMSA-N 334.199 1.620 0 40 EDAB O=C(CN1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1)N1CCCC1 643586001 MYDRTTZEJAVSJE-YQVWRLOYSA-N 330.428 1.228 0 40 EDAB CCCN1C(=O)NC2(CCN(C(=O)c3ccccc3C)CC2)C1=O 17271872 UQQPBFKWOZOAHD-UHFFFAOYSA-N 329.400 1.932 0 40 EDAB CC(C)c1nccc(N2C[C@H]3CN(c4cc(O)nc(O)n4)C[C@@H]3C2)n1 1888844124 KJLVEHDXQUXOQG-RYUDHWBXSA-N 342.403 1.374 0 40 EDAB CCc1nc(N2C[C@@H]3CN(c4ncc(F)cn4)C[C@@H]3C2)nc(O)c1F 1888854164 CFSWSCXWHHNEBU-AOOOYVTPSA-N 348.357 1.385 0 40 EDAB COc1ccnc(N2CCN(c3nc(C)nc4c3CCC4)CC2)n1 1888859535 LSPPKEFLIRGYLB-UHFFFAOYSA-N 326.404 1.399 0 40 EDAB Cc1nc(CN2CCN(c3nc(C4CC4)nc(C)c3F)CC2)no1 1888860322 WBATWVMEKBTXGD-UHFFFAOYSA-N 332.383 1.815 0 40 EDAB Cc1ncncc1C(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037908926 GVXWUTMRMYVPEJ-SFHVURJKSA-N 345.374 1.970 0 40 EDAB COCCCN1CCO[C@H]2CN(C(=O)c3sc(C)nc3C)C[C@@H]21 2056223263 BACFOXQPBXILTE-KBPBESRZSA-N 339.461 1.322 0 40 EDAB COc1ccnc(N2CCN(c3ccc4nc(C)c(C)n4n3)CC2)n1 2087018033 HCCLWXJCUANGCY-UHFFFAOYSA-N 339.403 1.471 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CCc2onc(COc3cccnc3)c2C1 1565545155 ATIDTNGGPRAGJT-HALDLXJZSA-N 341.367 1.426 0 40 EDAB CN(C)CCN1CCO[C@@H]2CCN(C(=O)C3(F)CCC3)CC[C@@H]21 1565549045 NZKONAYJBPSCDG-LSDHHAIUSA-N 327.444 1.132 0 40 EDAB Cc1cc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccncc2)n(C)n1 1565551272 LIPRSYLBNXMEKO-IRXDYDNUSA-N 325.416 1.499 0 40 EDAB CCCCCCN1N=C(C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 5147951 KBWMYGCWYHFDRV-UHFFFAOYSA-N 332.408 1.210 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(-c2ccccc2)o1 44357566 AZWWKMLCXKQITR-NSHDSACASA-N 336.373 1.099 0 40 EDAB Cc1ccc(NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1C 44456841 DRTQWJHFRGCKOM-UHFFFAOYSA-N 337.445 1.945 0 40 EDAB O=C(c1ccc(Cl)c(Cl)c1)N1CC(N2C(=O)[C@H]3C[C@@H]3C2=O)C1 585388493 XHYCFQVXFRIZMJ-UWVGGRQHSA-N 339.178 1.823 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)NCc1ccccc1OC 2104697 PBWZAKOOKKGAIX-LBPRGKRZSA-N 326.418 1.789 0 40 EDAB biogenic CCCOc1ccc(Cl)cc1NC(=O)N1CCO[C@@H](C(N)=O)C1 51616534 LTSFJCDDZVQQDX-CYBMUJFWSA-N 341.795 1.847 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2ccc(Br)s2)C1 41128811 BXVCJTILXAQYIP-KHVHVRLGSA-N 329.219 1.858 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 41164845 YXNVYQYUOOGEPN-NSHDSACASA-N 330.837 1.741 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 32855926 SWXGISHKKFXUGQ-CQSZACIVSA-N 343.470 1.644 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)Cn2nnc(COc3ccccc3)n2)C1 33183744 KNSWRTJAGQQLBW-KGLIPLIRSA-N 329.404 1.947 0 40 EDAB CCn1nc(C(=O)N2CCCN(C(C)=O)CC2)c2ccccc2c1=O 53355481 KJFCITZQBKMSSE-UHFFFAOYSA-N 342.399 1.111 0 40 EDAB C[C@@]1(NC(=O)CNc2cccc3c2CCCC3)CCS(=O)(=O)C1 22893900 DNTYLIOWEOZIHQ-QGZVFWFLSA-N 336.457 1.671 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)OCC(F)(F)F)s1 54103793 NOUXPTPXCAXAJI-UHFFFAOYSA-N 346.352 1.787 0 40 EDAB COCCn1ccc(=O)c(OCC(=O)Nc2ccc(OC)cc2)c1C 71280406 WNOQLCMMLRFTAK-UHFFFAOYSA-N 346.383 1.829 0 40 EDAB COc1cccc(-n2nnnc2SCC(=O)Nc2nccs2)c1 415301 DJJVRUHGZRZYRV-UHFFFAOYSA-N 348.413 1.858 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1 55037094 BMMJDZCXEDEXJI-WCBMZHEXSA-N 343.836 1.925 0 40 EDAB C[C@H](NC(=O)N[C@H]1CCCCNC1=O)c1ccc2c(c1)OCCO2 43481506 UGOQRXGWRHQDIB-AAEUAGOBSA-N 333.388 1.487 0 40 EDAB O=C(NCCc1ccccn1)[C@H]1CCCN(C(=O)c2ccco2)C1 25323011 SIZOWTVAKAECAF-AWEZNQCLSA-N 327.384 1.886 0 40 EDAB Cc1cc(=O)n2nc(NCCc3cn4ccccc4n3)sc2n1 12575765 VBBLLWJUWFWXAY-UHFFFAOYSA-N 326.385 1.762 0 40 EDAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(N(C)C)cc2)CC1 57335824 XADQJGHZOZWAFS-CQSZACIVSA-N 348.447 1.854 0 40 EDAB Cn1nccc1CNC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 95447184 RPRAHVHDLYYWIK-CYBMUJFWSA-N 326.759 1.745 0 40 EDAB CCc1ccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 12541130 RKARMSVBNZPZMQ-UHFFFAOYSA-N 337.383 1.844 0 40 EDAB O=C(NCc1ccc(-n2ccnc2)cc1)c1cccnc1-n1cncn1 58028586 ACUVPIKOOVVGKJ-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nc2ncccn2n1 10074277 LIOYHDNQSNZHTI-MNOVXSKESA-N 348.432 1.621 0 40 EDAB CC(C)n1ncc2cc(C(=O)N[C@@H](C(N)=O)c3ccccc3)cnc21 10269149 VCTSXVFONNIODS-OAHLLOKOSA-N 337.383 1.969 0 40 EDAB COC(=O)[C@H](C)CN(CC(=O)NC(=O)NC1CC1)Cc1ccccc1 58209673 GSWDJQPWCISZMA-CYBMUJFWSA-N 347.415 1.286 0 40 EDAB Cc1nc(NC(=O)[C@@H](C)N2CCN(c3cnccn3)CC2)sc1C 44910524 OIGVIVWIHVSHKZ-GFCCVEGCSA-N 346.460 1.699 0 40 EDAB Cn1cc(C(=O)NC2CCN(Cc3nnsc3Cl)CC2)cn1 44950345 XIEURMKAHXDGPR-UHFFFAOYSA-N 340.840 1.319 0 40 EDAB C[C@H](C(=O)NCc1ccnc(OC2CCCC2)c1)S(C)(=O)=O 44952429 CDWQRFQDVRDHCR-LLVKDONJSA-N 326.418 1.452 0 40 EDAB COCCNC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 44966227 OAOAFCBWLAWOSQ-UHFFFAOYSA-N 348.399 1.709 0 40 EDAB C[C@H](C(=O)Nc1ccc(F)cc1)N1CCN(CC(=O)NC2CC2)CC1 96908307 CAYNXZYWAYVILN-CYBMUJFWSA-N 348.422 1.049 0 40 EDAB Cc1cnn(CC(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1 58341681 DTTMDWCOISNNNN-UHFFFAOYSA-N 326.400 1.613 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)cc1OC 27976215 LVNTZPFNHFNRAB-LLVKDONJSA-N 342.417 1.041 0 40 EDAB COc1c(CNCc2ccc(C(=O)NC3CC3)cc2)c(C)nn1C 58421537 KIVGURSTCVOZQR-UHFFFAOYSA-N 328.416 1.919 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 48020716 DAWNWRBBUSGJHT-KBPBESRZSA-N 349.431 1.539 0 40 EDAB Cc1ccc(CCNC(=O)N2CCN(Cc3ccccn3)CC2)cn1 97096544 XYAGCZRRSIFBGC-UHFFFAOYSA-N 339.443 1.855 0 40 EDAB COc1ccc(C(=O)NC[C@@H](c2cccn2C)N2CCOCC2)cc1 21151973 BJKWAOKCCXWDJF-SFHVURJKSA-N 343.427 1.837 0 40 EDAB O=C(CCN1C(=O)CCC1=O)N[C@H](c1ccccc1)C(F)(F)F 59301707 KHPXEGYRPDQFOV-CQSZACIVSA-N 328.290 1.945 0 40 EDAB CC(C)N1C(=O)[C@@H](NC(=O)C(=O)NN2CCCCC2)c2ccccc21 101448105 GGEKPEMJSCFWNO-HNNXBMFYSA-N 344.415 1.116 0 40 EDAB CCCCCCNC(=O)CS(=O)(=O)Cc1nnnn1CCCC 46112060 XJXKAOUNOGSZLL-UHFFFAOYSA-N 345.469 1.085 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)no1 72299342 AYWIBVIRCPZTCU-CQSZACIVSA-N 340.383 1.952 0 40 EDAB CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2nc(C)no2)c1 60241916 SAAOINPZRJGNDE-VIFPVBQESA-N 338.389 1.167 0 40 EDAB CC(C)(C)NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 29864417 CHOJVKDKYASLES-UHFFFAOYSA-N 327.402 1.536 0 40 EDAB C[C@@H](CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O)N1CCOCC1 29962055 VICYEVQTDLZSLB-GOEBONIOSA-N 345.443 1.415 0 40 EDAB C[C@H](OC(=O)C1CCOCC1)C(=O)NC(=O)NC1CCCCC1 24935976 GGWRGPJRNWMTDM-NSHDSACASA-N 326.393 1.503 0 40 EDAB Cc1cccnc1CN1CCC2(CC(NC(=O)c3cnn(C)c3)C2)C1 108527615 WYXHGDJEQTWLOP-UHFFFAOYSA-N 339.443 1.908 0 40 EDAB C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3ccsc3)cn2)C[C@H](C)O1 72295850 YANDZLLWXMGCIX-RYUDHWBXSA-N 348.428 1.833 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)Cn2nc(C)cc2C)c(C)nn1C 72234330 BXEOGRUMOLQXCC-AWEZNQCLSA-N 331.420 1.914 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)ccc2OC)C1=O 3371753 AVSXTEHGUDRTPI-UHFFFAOYSA-N 347.371 1.533 0 40 EDAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCCC2)C1=O 3340652 PVVYIZAIOTVLQT-INIZCTEOSA-N 335.791 1.729 0 40 EDAB CCCCn1nc(C(=O)Nc2nc(SC)ns2)ccc1=O 3340399 BRGOWNUFCQZEFO-UHFFFAOYSA-N 325.419 1.869 0 40 EDAB COc1ccccc1NC(=O)CCC1=C(C)NS(=O)(=O)N=C1C 12980188 XZAJVSMWGWAJPX-UHFFFAOYSA-N 337.401 1.997 0 40 EDAB CCN1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 22870449 OQWFPPNOKUAJIF-CQSZACIVSA-N 343.265 1.826 0 40 EDAB Cc1n[nH]cc1CNCc1ccc(S(=O)(=O)N2CCCC2)s1 97159241 MZTVLIPWSUGNRQ-UHFFFAOYSA-N 340.474 1.854 0 40 EDAB Cc1ccc(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)n1C 65394008 DIIUXFSESCWVFP-CQSZACIVSA-N 328.420 1.592 0 40 EDAB COc1ccc([C@@H](NC(=O)NC[C@H](C)N(C)C)c2nccn2C)cc1 65440863 AEBCXIDTENXHBR-XJKSGUPXSA-N 345.447 1.767 0 40 EDAB C[C@H]1CCCN(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)C1 4493266 HWSKBSWYTBEOLX-LBPRGKRZSA-N 343.383 1.267 0 40 EDAB Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc(F)c(Cl)c1 23142074 WQBGVGBZYJNYHJ-UHFFFAOYSA-N 339.754 1.746 0 40 EDAB CC[C@@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1OC 65531136 SZMBUULFIGEZBN-CYBMUJFWSA-N 331.376 1.650 0 40 EDAB CC1(C)CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CCO1 65548327 YXKVRBIQPWPXIC-OBJOEFQTSA-N 341.477 1.350 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)Nc2cccnc2-n2cccn2)C1 65624083 HCXRJCOUFACTAB-ZDUSSCGKSA-N 328.376 1.400 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2noc(C)n2)c(C)c1 97229146 WXSDNNCGSVRISU-SECBINFHSA-N 339.373 1.513 0 40 EDAB Cn1cc(C[C@@H]2CCN(C(=O)NCCC(=O)NC3CCCC3)C2)cn1 84318164 RRIFTACGAZROFT-AWEZNQCLSA-N 347.463 1.443 0 40 EDAB O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2ccc(Cl)cc2)CC1 14202310 BFXVNWRWEMZPDR-UHFFFAOYSA-N 331.803 1.986 0 40 EDAB CCNC(=O)NC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 14333565 XTTIGFISYHDTSW-AATRIKPKSA-N 337.430 1.974 0 40 EDAB CNC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 6578827 DWGCVWUQVGPAOK-UHFFFAOYSA-N 338.319 1.390 0 40 EDAB COc1cc(C(=O)NCc2ccco2)cc(Cl)c1OCC(N)=O 44894153 HMZVAEWMGNOCBC-UHFFFAOYSA-N 338.747 1.736 0 40 EDAB COc1ccc(/C=C/C(=O)N2CCCC2)cc1S(=O)(=O)N(C)C 15344332 JRIDLQRXHOTGIJ-VQHVLOKHSA-N 338.429 1.581 0 40 EDAB O=C(CSc1nnc(C2CC2)o1)N1CCN(c2ccccn2)CC1 7290098 OMDOMVKBBNHSGE-UHFFFAOYSA-N 345.428 1.783 0 40 EDAB NC(=O)CN1CCC[C@@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 68464360 CBLOQDRYHQLICX-CQSZACIVSA-N 335.835 1.438 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cnn(C)c3)CC2)c1 81186714 VUXUVSJFUNLILG-UHFFFAOYSA-N 334.445 1.548 0 40 EDAB Nc1cc(-c2ccc(Cl)cc2)nn1CCOC(=O)Cn1nccn1 84419395 HTAIMNHZWJNGFD-UHFFFAOYSA-N 346.778 1.621 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCC[C@H]1Cn1cc(C)cn1)C1CCCC1 71869714 REWUPEDTLQNESN-DLBZAZTESA-N 332.448 1.877 0 40 EDAB C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)CN(C)C(=O)OC(C)(C)C 71894439 MATCAVVVMIRFTO-RYUDHWBXSA-N 348.465 1.040 0 40 EDAB CCCO[C@@H]1CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 71835092 DERUPIMFMBQXQI-CYBMUJFWSA-N 337.420 1.269 0 40 EDAB COC(=O)c1[nH]c(C)cc1NC(=O)Cc1ccc(-n2cnnn2)cc1 71890913 RPORZPQXROTNRU-UHFFFAOYSA-N 340.343 1.267 0 40 EDAB CCNc1ncc(S(=O)(=O)NCc2cc(C)on2)cc1Cl 81692970 VKELYJSYDSOIKA-UHFFFAOYSA-N 330.797 1.942 0 40 EDAB CNC(=O)CN1CCC(NC(=O)Nc2cccc3c2CCCC3)CC1 70039513 NINRUHKBLWZQFK-UHFFFAOYSA-N 344.459 1.897 0 40 EDAB COCCN(CC(=O)N1CCN(C(C)C)CC1)C(=O)OC(C)(C)C 70018829 QFGZVAGJVUDSDN-UHFFFAOYSA-N 343.468 1.423 0 40 EDAB CN(C)CCn1cc(C(=O)N2CCC[C@H](C(N)=O)C2)c2ccccc21 69433442 HIMWCRVALHMASL-AWEZNQCLSA-N 342.443 1.540 0 40 EDAB CNc1ccc(S(=O)(=O)NC)cc1NC(=O)[C@@H]1C[C@@H]1c1ccco1 69586031 UPSWZKJINIETSG-NWDGAFQWSA-N 349.412 1.972 0 40 EDAB CCOc1cc(C)nc(N2CCN(C(=O)c3ccnc(C)n3)CC2)n1 69562856 KCXSBCOKGNQCCQ-UHFFFAOYSA-N 342.403 1.245 0 40 EDAB COc1ccccc1C[C@@H]1CCCN1C(=O)NCc1ncn(C)n1 91789894 HXGQHDLQUHDSTF-AWEZNQCLSA-N 329.404 1.740 0 40 EDAB CCc1cccc(NC(=O)CN(C)[C@@H](C)CS(=O)(=O)CC)c1 69696552 JSNAFMZWECRSCV-ZDUSSCGKSA-N 326.462 1.943 0 40 EDAB COC(=O)c1ccc(C(=O)N(C)CC(=O)Nc2ccc(C)cn2)cc1 69633156 UNNYSTDCZKQKMK-UHFFFAOYSA-N 341.367 1.887 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)CCCc2ccccn2)CC1 69632057 BIGGXDZYVNNVHH-QGZVFWFLSA-N 333.476 1.956 0 40 EDAB C[C@@H](O)[C@H]1CCCCN1Cc1nnc2n(C)c(=O)c3ccccc3n12 69703610 PSQYAMYGKBQIGJ-TZMCWYRMSA-N 341.415 1.317 0 40 EDAB C[C@H](C(=O)N1CCc2sccc2C1)N1CCc2cncnc2C1 69742691 PTHDEPLEPYDVSZ-GFCCVEGCSA-N 328.441 1.870 0 40 EDAB COC(=O)CCCCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 69973420 OCXNQNMKDIOXEU-WMLDXEAASA-N 347.415 1.451 0 40 EDAB O=C(NCCc1cccs1)[C@@H]1COCC(=O)N1Cc1ccccc1 70641549 IUIXJJOMZDAZQS-INIZCTEOSA-N 344.436 1.834 0 40 EDAB Cc1ccccc1OCCN1CCN([C@H]2CCN(C3CC3)C2=O)CC1 95407285 MBTGWUBDPYYKOH-SFHVURJKSA-N 343.471 1.755 0 40 EDAB CC[C@@H](C(=O)NCc1nc2cccc(C)c2n1C)N1CCCC1=O 95429870 FQANWXGPIFFCMO-AWEZNQCLSA-N 328.416 1.899 0 40 EDAB Cn1ncc2cnn(CCC(=O)Nc3cccc(Cl)c3)c2c1=O 95438878 MUOVAKFNVFLGAU-UHFFFAOYSA-N 331.763 1.812 0 40 EDAB Cc1ccc(Br)c(S(=O)(=O)NCc2ccnn2C)c1 95980065 AFTJYAZIYFSSEV-UHFFFAOYSA-N 344.234 1.970 0 40 EDAB C[C@@H](NCC(=O)N[C@@H]1CCCCNC1=O)c1ccc(F)c(Cl)c1 95984578 MKGBDZPFHWQFDI-QMTHXVAHSA-N 341.814 1.915 0 40 EDAB Cn1ccc2ccc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc21 75142511 CNROUBDNFBBSFJ-ZDUSSCGKSA-N 335.429 1.788 0 40 EDAB COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](COC(C)=O)(O4)[C@@H]3C2=O)cc1 409308900 ZCTKVONBELEJQR-LLDVTBCESA-N 343.335 1.071 0 40 EDAB CC(C)C(=O)N1CC2(C1)[C@H](COc1ccccn1)CCS2(=O)=O 306127860 GJGNGECWDXJTSK-ZDUSSCGKSA-N 338.429 1.132 0 40 EDAB O=C1CC[C@H](C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)N1 183475640 JDQPJFRVNUKQBT-CHWSQXEVSA-N 342.317 1.884 0 40 EDAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218035413 YEFFQWQYNFHLAX-XYJFISCASA-N 345.420 1.887 0 40 EDAB C[C@@H](NC(N)=O)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C 79002015 QEYZHKOOFPGXNE-MFKMUULPSA-N 325.384 1.792 0 40 EDAB O=C(CN1CCCS1(=O)=O)NCc1ccc(Br)cc1 78611530 QHSVXTZOQRWBLO-UHFFFAOYSA-N 347.234 1.101 0 40 EDAB COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1F 78611837 SSBXLRLTVVZJBJ-CYBMUJFWSA-N 349.406 1.906 0 40 EDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CO)cc1 218098903 ALWJDKVZIBLYRE-GVDBMIGSSA-N 333.409 1.325 0 40 EDAB CCCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCOC 217466954 PKMPXYIVATXZIR-UHFFFAOYSA-N 344.433 1.912 0 40 EDAB C[C@H]1NC(C(=O)NCCc2cccs2)=NN(c2ccccc2)C1=O 31545414 YIXDTXZRQXNGOX-GFCCVEGCSA-N 342.424 1.745 0 40 EDAB O=C1CC[C@@H](NC(=O)c2ccnn2CC(F)F)[C@H](c2ccccc2)N1 563294555 VMYSOJIORUWGBF-WBMJQRKESA-N 348.353 1.898 0 40 EDAB Cc1cnc(Nc2nccnc2[C@@H]2CCCN(CC(N)=O)C2)s1 72367857 KYDDLDDLDZTNNI-LLVKDONJSA-N 332.433 1.650 0 40 EDAB COCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 45867968 KFSRKTJNRNMJFA-UHFFFAOYSA-N 326.418 1.836 0 40 EDAB CN(C(=O)CCc1cccnc1)[C@H]1CCN(CC(F)(F)F)C1=O 79002144 FOOVXXMRZUDHCG-LBPRGKRZSA-N 329.322 1.636 0 40 EDAB COc1cc(/C=C/C(=O)NC2CCN(C(C)=O)CC2)cc(OC)c1 44873388 HPSUAHHUIUYRHB-SNAWJCMRSA-N 332.400 1.844 0 40 EDAB CN(C)c1ncc(CN2CCNC(=O)C[C@@H]2c2ccccc2)n1C 569596957 FODKFEYPMZPZER-MRXNPFEDSA-N 327.432 1.549 0 40 EDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2c(C)nn(C)c2C)c1C 40267004 SGFCKFZLGHANDM-UHFFFAOYSA-N 332.408 1.125 0 40 EDAB O=C(c1cnc(O)c(Cl)c1)N1CCC[C@@H](Oc2cnccn2)C1 225473654 OMBCIYOOQMEBBF-LLVKDONJSA-N 334.763 1.914 0 40 EDAB O=C([C@@H]1CCOC1)N1CCO[C@@H]2C[C@@H](COCc3ccccn3)C[C@@H]21 96250891 DHSKPNJGSURCRX-CIRFHOKZSA-N 346.427 1.641 0 40 EDAB COC[C@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2cccc(F)c2)O1 96186631 JVMAHGAMIZOEBT-SNPRPXQTSA-N 329.393 1.783 0 40 EDAB Cc1cccc(CNC(=O)N2CCN(c3ccnc(C)n3)CC2)n1 97376478 NXIZTBRSUBUTQL-UHFFFAOYSA-N 326.404 1.520 0 40 EDAB O=C1CCCN1Cc1ncn2c1CN(C(=O)C1CCCC1)CCC2 96259396 DLDBQEVWIWUJKY-UHFFFAOYSA-N 330.432 1.928 0 40 EDAB CCc1ccc(CN2C[C@@H](C)[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)o1 96201701 XMQVDGSNULWONQ-KUHUBIRLSA-N 347.459 1.601 0 40 EDAB Cn1cccc1C(=O)N1CCC[C@]2(C[C@@H](Nc3cnccn3)CO2)C1 96073774 MPILFHOWPXEKAO-KDOFPFPSSA-N 341.415 1.691 0 40 EDAB Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(C(=O)c4ccncc4)CC[C@@H]23)n1 96216682 AITLTVBXJYOBMM-KFWWJZLASA-N 327.388 1.228 0 40 EDAB O=S1(=O)N[C@H]2CCN(c3ncccn3)CC[C@@H]2Oc2ccccc21 96263855 HPDJUAHFINKNNN-STQMWFEESA-N 346.412 1.185 0 40 EDAB COCCN1CCC[C@@H](NS(=O)(=O)c2sccc2OC)C1 583650516 WJMPLUFBYNVEPJ-LLVKDONJSA-N 334.463 1.146 0 40 EDAB CC(C)Cc1noc(CN2CCC[C@](O)(c3cn(C(C)C)nn3)C2)n1 583617867 BIZFFEAHQSWTQB-QGZVFWFLSA-N 348.451 1.924 0 40 EDAB CS(=O)(=O)N[C@@H]1COCCC12CCN(Cc1ccco1)CC2 96215212 DNPFXSIYLONCIW-CQSZACIVSA-N 328.434 1.200 0 40 EDAB N[C@H]1CCc2ncc(NC(=O)N3CCC[C@H](CCO)CC3)cc2C1 333240646 DTZYHIIVHVKDEV-ZFWWWQNUSA-N 332.448 1.914 0 40 EDAB O=C(NC1CC1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 96188172 VVZRSPOKSHGNQO-AWEZNQCLSA-N 341.415 1.799 0 40 EDAB Cc1ncoc1C(=O)N1CC[C@]2(C[C@H](OCCN3CCCC3)CO2)C1 96107593 XFQFOLBZNQMFDV-YJBOKZPZSA-N 349.431 1.469 0 40 EDAB CN1CC2(CCN(C(=O)c3ccnn3C)CC2)C[C@@H]1COCC1CC1 96207193 DHVCQKSUESYQBW-MRXNPFEDSA-N 346.475 1.773 0 40 EDAB Cn1ccc(C(=O)N2CCOC[C@H]2c2csc(N3CCCC3)n2)n1 96217812 UWRNKXQMVXXEFX-AWEZNQCLSA-N 347.444 1.691 0 40 EDAB COc1cccc([C@H](O)C(=O)NCCc2nc3ccccc3n2C)c1 95450403 ZPYFNOQBNYXOLO-SFHVURJKSA-N 339.395 1.974 0 40 EDAB C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)c1ccnn1C 96109777 APLVOOJCQYBIHA-LBPRGKRZSA-N 329.404 1.760 0 40 EDAB CCOC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 242620205 PYCMUXXXFWUWNF-UPJWGTAASA-N 348.262 1.694 0 40 EDAB COCCNC(=O)C[C@@H]1CN(Cc2csc(C)n2)Cc2ccnn21 247980814 WZQYTULUBKKHIY-OAHLLOKOSA-N 349.460 1.358 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1Cc2ccccc2NC(=O)[C@H]1C 585122539 XAFMNHBUOSNJSJ-IPYPFGDCSA-N 332.400 1.940 0 40 EDAB CCOC(=O)c1cnn(CC(=O)N(CC)Cc2cccc(F)c2)n1 585118392 MRRCADJULTYDNS-UHFFFAOYSA-N 334.351 1.643 0 40 EDAB CC(C)Oc1ccc([C@@H]2CNCCN2C(=O)c2ccnn2C)cc1 257340964 ZIGWRHYZKFTGDA-KRWDZBQOSA-N 328.416 1.994 0 40 EDAB CC(=O)NCC(=O)N1CCC2(CC1)C[C@H](N(C)c1ccccc1)CO2 257243331 IGLGHCQOFDNVCS-KRWDZBQOSA-N 345.443 1.409 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)CCc2ccnn2C)C1 257342900 ZQNZUPICUZJFDB-AWEZNQCLSA-N 342.447 1.666 0 40 EDAB CC(C)c1noc(CCC(=O)NCc2cnc([C@H]3CCN(C)C3)[nH]2)n1 257281823 ORDWVZVOAWXXTR-LBPRGKRZSA-N 346.435 1.584 0 40 EDAB Cc1cc2cc(C(=O)N3CC[C@@H]4NC(=O)CO[C@H]4CC3)ccc2o1 257273745 NIAXAGPLNBNOHR-HOCLYGCPSA-N 328.368 1.861 0 40 EDAB CCc1nnsc1C(=O)N1CCO[C@@H](c2nc(C)cc(O)n2)C1 257287085 POLHVEHSGAZFIH-SNVBAGLBSA-N 335.389 1.118 0 40 EDAB O=C(NS(=O)(=O)CC1CCC1)c1cnc(OCC2CC2)cn1 252488677 IWSMFOFBIBZFMU-UHFFFAOYSA-N 325.390 1.125 0 40 EDAB Cc1cc(C)nc(C[C@H]2COCCN(C(=O)c3cnn(C)c3)C2)n1 257322238 WFDOOUHUJJLSNG-CQSZACIVSA-N 329.404 1.158 0 40 EDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2coc(C)n2)n1 257247552 IZLQUYWGBNTPRT-OAHLLOKOSA-N 329.360 1.386 0 40 EDAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O)c1ccc(F)cc1 257316538 VGAFEYZXYSVYSP-NCOADZHNSA-N 349.333 1.636 0 40 EDAB Cn1ccc(C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)n1 257275692 NQMOATJNLIQHEO-DJIMGWMZSA-N 329.400 1.901 0 40 EDAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CC[C@](O)(CN2CCCC2)C1 257265245 LXVUIPATZVVUQU-SFHVURJKSA-N 341.415 1.145 0 40 EDAB CCOC(=O)[C@@H]1C(=O)CC(=O)[C@@H](C(=O)OCC)C1c1ccccc1 100099389 WUYSYSSMKKOSRN-HZPDHXFCSA-N 332.352 1.671 0 40 EDAB NS(=O)(=O)[C@@H]1CCCN(C(=O)c2oc3ccccc3c2Cl)C1 1615046814 CEAFPZXFGHQEJE-SECBINFHSA-N 342.804 1.979 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)NCC(F)(F)C2(O)CCCCC2)C1 1615058618 ROJIVQFJIWSYAN-CYBMUJFWSA-N 332.391 1.692 0 40 EDAB CCn1ncc(CN[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]2CCOC)n1 1615571160 GETWPSUYVDCHMS-ZIAGYGMSSA-N 339.440 1.412 0 40 EDAB COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NCCc1csc(C(C)C)n1 1615586175 QUCHQMMXQAMQEE-WDEREUQCSA-N 348.490 1.926 0 40 EDAB CN=[S@](=O)(c1ccc(NC(=O)NC[C@H]2CCCO2)cc1)N(C)C 1615613163 GCHIDVUVPRFPBJ-JCQPUDPBSA-N 340.449 1.920 0 40 EDAB CN(C(=O)[C@@H]1CSCN1S(=O)(=O)[C@@H]1C[C@@H]2CCC[C@H]21)C1CC1 1615606334 WLTFGYDYQHFUND-AHLTXXRQSA-N 344.502 1.501 0 40 EDAB Cn1cnnc1[C@@H]1CCN(S(=O)(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 1616001730 MIGVQOQKAMYARH-RBSFLKMASA-N 332.429 1.490 0 40 EDAB Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1ccccc1 96098624 UVRDBZFABTYQBX-UHFFFAOYSA-N 348.428 1.731 0 40 EDAB C[C@H]1CCCN(C(=O)c2nc3c(o2)CCN(C(=O)[C@H]2CCCO2)C3)C1 585112298 OFFASGIFMNLMNQ-SWLSCSKDSA-N 347.415 1.610 0 40 EDAB COC[C@]1(CC(N)=O)CCCN1C(=O)c1cccc2ncccc12 585278689 QQIHBYCHTSCMDC-GOSISDBHSA-N 327.384 1.731 0 40 EDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1ccc(OC)c(F)c1 585279191 VDDHZBSZJIMPSI-QGZVFWFLSA-N 338.379 1.592 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)CCOc1cccc(F)c1 585288395 ZKMPUMRYQKRTEG-INMHGKMJSA-N 341.379 1.482 0 40 EDAB CCOC(=O)c1cc(S(=O)(=O)N(C)C)cnc1C(F)(F)F 585141971 KCJNALYYBGRMBH-UHFFFAOYSA-N 326.296 1.527 0 40 EDAB O=C(N[C@H](Cc1ccncc1)C(=O)O)c1cccc2c1OCCCO2 585091165 OTXQAXIXGKWJLE-CQSZACIVSA-N 342.351 1.669 0 40 EDAB C[C@@]1(C(N)=O)CCCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C1 585283256 MNZKDXZAIAVXEF-GOSISDBHSA-N 349.450 1.744 0 40 EDAB CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2ccc(C)cc2C)CCO1 681943429 WJKQXCNCYJXMGN-HNNXBMFYSA-N 348.399 1.078 0 40 EDAB CCOc1ncccc1NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 67567159 ONVKEZDKRBBVHF-NSHDSACASA-N 342.421 1.026 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cnc2n(c1=O)CCS2 47005439 IEZJXSIGPKAREH-AAEUAGOBSA-N 337.445 1.674 0 40 EDAB O=C([C@@H](O)c1ccccc1)N1CCN(Cc2cccc(O)c2)CC1 86247352 GBOVDMBXQNESTA-SFHVURJKSA-N 326.396 1.770 0 40 EDAB C[C@H]1CN(C(=O)C(C)(C)n2cc(Cl)cn2)C[C@H]1N1CCOCC1 76056819 ZSFZXUDTNIRSDL-GXTWGEPZSA-N 340.855 1.451 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2c(F)cc(F)cc2F)C1 76022394 FVAVIYCNXRSAIB-VIFPVBQESA-N 336.335 1.258 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCOCC2)C1=O 58357052 DCXIJYVETZJGJU-QGZVFWFLSA-N 331.372 1.302 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)CNc2c(F)cccc2-n2cccn2)C1 79062188 DYZDQDDWKFRVCZ-LBPRGKRZSA-N 345.378 1.147 0 40 EDAB CCN1OC2(CCN(C(=O)c3ccc(OC)cc3OC)CC2)CC1=O 1549167454 ONJOUFSUQWFTSS-UHFFFAOYSA-N 348.399 1.862 0 40 EDAB O=C(Nc1ccc2nccn2c1)N1CCCS(=O)(=O)C[C@H]1C1CC1 1548453229 OGMYABNQJCEKRJ-AWEZNQCLSA-N 348.428 1.765 0 40 EDAB Cc1cc(OC[C@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)ccn1 1775970980 LKXAWZRUYUTFRC-AWEZNQCLSA-N 345.399 1.156 0 40 EDAB CC(C)Cc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O 5129419 LJXZPDRGHLUIGT-UHFFFAOYSA-N 337.401 1.676 0 40 EDAB CC(C)CC(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1 15674509 DYSGFYMLZQFXCE-UHFFFAOYSA-N 346.478 1.943 0 40 EDAB CCOC(=O)CS[C@@H]1CC(=O)N(c2cccc(C(=O)O)c2)C1=O 16899539 DNXGCHJOIFDRAC-LLVKDONJSA-N 337.353 1.313 0 40 EDAB CC(=O)N1CCc2nc([C@H]3CCN(C(=O)C4CCCC4)C3)ncc2C1 19018653 OMGINCYZIIXSOR-HNNXBMFYSA-N 342.443 1.887 0 40 EDAB CC1=N[C@H](N2CCOCC2)[C@H](N2CCOCC2)N1c1ccccc1 19329157 ASTAQVNKQQSKFG-QZTJIDSGSA-N 330.432 1.242 0 40 EDAB O=C(c1ccccn1)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19399903 PDIWLZZGGYSIAG-CQSZACIVSA-N 347.378 1.857 0 40 EDAB CCc1cc(CNS(=O)(=O)c2cn(CC(C)C)nc2C)on1 19522836 QUWVMLDWAKONQS-UHFFFAOYSA-N 326.422 1.876 0 40 EDAB C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c2cccnc2O1 158656461 XXQVVXFFFKFJTA-QWHCGFSZSA-N 341.367 1.837 0 40 EDAB CN(CCN1C(=O)c2ccccc2C1=O)c1nc2ccccc2c(=O)[nH]1 159176153 HXCFPPKBXUUXJW-UHFFFAOYSA-N 348.362 1.656 0 40 EDAB O=C(COc1ccc(F)cc1)N1CCOC[C@H](Cc2cnccn2)C1 607853313 KFCJMEBPQJDQOB-CQSZACIVSA-N 345.374 1.712 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)Cc1ccccc1F)C1CCOCC1 518758835 CZNDVRUTXNZRST-ZDUSSCGKSA-N 345.392 1.373 0 40 EDAB Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)O)N1CCNCC1 22592720 LQKGNPSXUOLXGM-CYBMUJFWSA-N 325.796 1.335 0 40 EDAB O=C([C@H]1CCOC1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575605333 DERVOGKLTSEPGP-KBPBESRZSA-N 327.384 1.597 0 40 EDAB CCN(CC)c1ccc(CNC(=O)[C@@H]2C(=O)NC[C@@H]2C(C)(C)C)cn1 585149550 GNCXKMSKHYYVFM-GOEBONIOSA-N 346.475 1.952 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)NCC2(O)CSCCSC2)c1 1888878942 ICHGNROVIOOZOT-UHFFFAOYSA-N 347.527 1.793 0 40 EDAB Cc1nn(Cc2noc(C(=O)NCc3ccccn3)n2)c(C)c1Cl 15082737 WODOFUVVZFUKDB-UHFFFAOYSA-N 346.778 1.910 0 40 EDAB CC(C)[C@H](Cn1nccn1)NC(=O)CNC(=O)OCc1ccccc1 238817300 BTVNRRWATFQBIF-HNNXBMFYSA-N 345.403 1.345 0 40 EDAB CC(C)N1C[C@@]2(CCN(C(=O)CC3CCOCC3)C2)COCC1=O 2037985263 DDTLNAIDHSAZBA-SFHVURJKSA-N 338.448 1.289 0 40 EDAB Cn1cnc(C(=O)N2CCC3(CC2)CCN(c2ccsc2)C3=O)n1 1565544905 URTZBDIVLJVBHP-UHFFFAOYSA-N 345.428 1.536 0 40 EDAB O=C([C@H]1[C@H]2COC[C@H]21)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 1565550021 MUYZGKXLYOORLT-HTPGKPQGSA-N 344.411 1.249 0 40 EDAB O=C(NCC1CC1)c1ncn2c1CC[C@@H](C(=O)NC1CCCC1)C2 2055717894 BMFJRQRCZLAKKF-CYBMUJFWSA-N 330.432 1.644 0 40 EDAB O=C1OC2(CCN(S(=O)(=O)c3cccnc3)CC2)c2ccccc21 211110090 HMJXFSOPEYMSPB-UHFFFAOYSA-N 344.392 1.932 0 40 EDAB Cc1noc(-c2ccc(NC(=O)CSc3nnnn3C)cc2)n1 44227154 FLTLJAWYUFSQHF-UHFFFAOYSA-N 331.361 1.299 0 40 EDAB O=S(=O)(NCc1cn(-c2ccsc2)nn1)c1cccs1 575619821 ZNOJMIUWAGIUFC-UHFFFAOYSA-N 326.428 1.869 0 40 EDAB Cc1nc(N2CCCC2)cc(N2CCN([C@H]3CCCC[C@H]3O)CC2)n1 2298180896 WMSRMFDYURZXNG-DLBZAZTESA-N 345.491 1.811 0 40 EDAB Cc1cccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)c1C 12408657 KOENBWYNGFHTAL-UHFFFAOYSA-N 325.372 1.914 0 40 EDAB NC(=O)c1cccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 30357821 ARPWAOUVBVHCMD-UHFFFAOYSA-N 349.364 1.715 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1 40498988 RGHZPOCWCOIGJH-UHFFFAOYSA-N 328.777 1.771 0 40 EDAB Cc1ccc(OCCNC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 31357337 AFZCMHXXQDBIGP-OAHLLOKOSA-N 340.445 1.304 0 40 EDAB COc1cccc(C[C@H](C(=O)N[C@H](C)C2CC2)n2nnnc2C)c1 40540205 SBXGPRMFNZWBAZ-BDJLRTHQSA-N 329.404 1.689 0 40 EDAB C[C@H]1CN(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)O1 20939077 HIHHEVCPQVCIIZ-SOLBZPMBSA-N 331.460 1.486 0 40 EDAB Cc1cc(=O)n2nc(CN3CCN(c4ccccc4)CC3)sc2n1 20962200 MJNDGNJIFSUFSQ-UHFFFAOYSA-N 341.440 1.782 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(N(C)C)nc1 22327192 BJMSGYXMJNJVKA-UHFFFAOYSA-N 334.401 1.356 0 40 EDAB O=C(NCCN1C(=O)c2ccccc2C1=O)c1scnc1Cl 54232901 WVJAUOQNSTXIEY-UHFFFAOYSA-N 335.772 1.823 0 40 EDAB Cc1cccc(OS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1C 23392775 HCLBJLFZWJEQBI-UHFFFAOYSA-N 341.410 1.719 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOCCOCCOCC2)cc1 236336 TWRWMXHAGHVRPS-UHFFFAOYSA-N 329.418 1.049 0 40 EDAB CCc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)cc1 299013 HFQJXXDSOMMAKD-HNNXBMFYSA-N 329.400 1.078 0 40 EDAB COc1ccc(CNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 419583 IOAPKEXHYKULKR-UHFFFAOYSA-N 337.383 1.974 0 40 EDAB CCCCCS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCO2)CC1 78984384 JJCISFQUVOQOGP-CQSZACIVSA-N 347.481 1.013 0 40 EDAB CN(CCOCC1CC1)C(=O)Cn1cccc(C(F)(F)F)c1=O 79071192 DCYRHKIOHZWRDJ-UHFFFAOYSA-N 332.322 1.752 0 40 EDAB O=C(Nc1ccn(CC(F)F)n1)c1c[nH]c(=O)c(Br)c1 79013784 LIGNRLLMRVCTBU-UHFFFAOYSA-N 347.119 1.851 0 40 EDAB O=[S@@](C[S@](=O)c1nc(Cl)ns1)c1nc(Cl)ns1 4290392 NTNQYVJUWNNKKP-IAGOWNOFSA-N 349.271 1.569 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cccn1)N1CCO[C@H]2CCCC[C@H]21 106784327 UYYYBCIQZZVRSA-ZACQAIPSSA-N 332.448 1.518 0 40 EDAB CNC(=O)NC(=O)COC(=O)c1oc2ccccc2c1CSC 3190482 VSOOVEHYYAKRTK-UHFFFAOYSA-N 336.369 1.908 0 40 EDAB O=c1oc2ccccc2n1CCNS(=O)(=O)Cc1ccccc1 106889983 KHHWKHCJVYMTFP-UHFFFAOYSA-N 332.381 1.714 0 40 EDAB Cc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)s2)s1 6679413 NSKFRASLBDCLDW-UHFFFAOYSA-N 346.459 1.719 0 40 EDAB Cc1cccc(OC[C@@]2(CNC(=O)C3CCCC3)C[C@H](O)[C@H](O)C2)n1 107430226 AKMFSOTZSMJUDK-HGKCTWBKSA-N 348.443 1.577 0 40 EDAB biogenic,in-vitro COCCn1cc(C(=O)N2CCC[C@H]2c2cc(C)no2)ccc1=O 56736990 JLHQBNBYJDZRRM-AWEZNQCLSA-N 331.372 1.768 0 40 EDAB CCc1nnc(NC(=O)CCN2C(=O)Cc3ccccc3C2=O)s1 8966390 YDEPFYSCYNAFLJ-UHFFFAOYSA-N 344.396 1.654 0 40 EDAB O=S(=O)(Cc1cccc2cccnc12)N[C@@H](CO)c1ccco1 95433305 PEUDCUSAHANPNE-AWEZNQCLSA-N 332.381 1.981 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCCCOc1ccccc1 10026234 RSHBVXPAOYLZHI-UHFFFAOYSA-N 345.399 1.280 0 40 EDAB Cc1cc(NC(=O)Nc2c[nH]c(=O)[nH]c2=O)ccc1Br 9607500 LIFWPGMUROKGLA-UHFFFAOYSA-N 339.149 1.778 0 40 EDAB CN1CCN(c2ncccc2CNC(=O)c2ccccc2O)CC1 58281753 AGADUGWNYKYFQE-UHFFFAOYSA-N 326.400 1.469 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@H](C)[C@@H]2CCCO2)nn1-c1ccccc1 27875666 DGGCWWIYEWIZCG-CJNGLKHVSA-N 327.384 1.838 0 40 EDAB CCO[C@H](CC)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 58343678 VGBVLEIGJPLAKX-OAHLLOKOSA-N 344.419 1.126 0 40 EDAB COc1ccc(CNC(=O)CCc2nnc3ccccn3c2=O)cc1 95474223 UZOOCJJHSZNLNA-UHFFFAOYSA-N 338.367 1.347 0 40 EDAB Cc1nc(N2CCN(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3O4)CC2)sc1C 104315632 DRNRPUUZVJMISM-IHRRRGAJSA-N 336.461 1.911 0 40 EDAB CC(=O)Nc1ccc(CNS(=O)(=O)N2CCCCCC2)cc1 25374488 CLIBEKMQORNHRG-UHFFFAOYSA-N 325.434 1.855 0 40 EDAB O=C(Cn1nnc(-c2cccc(F)c2)n1)NOCc1ccccc1 45103149 YCUSIOJWHWJYDA-UHFFFAOYSA-N 327.319 1.727 0 40 EDAB O=C(NCCC(=O)N1CCN(c2nccs2)CC1)c1ccco1 10673753 SZSRQDDTVALFGI-UHFFFAOYSA-N 334.401 1.205 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1CNC(=O)/C=C/c1cc2ccccc2o1 95435320 JKVXZWJFSZOLDW-MYSGNRETSA-N 348.424 1.986 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(NC(C)=O)c(Cl)c1 10943561 MXRTXGKYACFAQK-MRVPVSSYSA-N 326.784 1.945 0 40 EDAB COc1ccccc1OCCNC(=O)c1cccc(-n2cnnc2)n1 21721132 VREOFNAUJVTDLJ-UHFFFAOYSA-N 339.355 1.480 0 40 EDAB CC1(C)[C@@H]2CN(CC(=O)Nc3cc(-n4cnnn4)ccc3Cl)C[C@H]21 102680722 VSNKFEBSDWCMHG-VXGBXAGGSA-N 346.822 1.842 0 40 EDAB CNc1nnc(SCC(=O)Nc2nc(OC)cc(OC)n2)s1 11541458 VFOITIMJSFBEJC-UHFFFAOYSA-N 342.406 1.118 0 40 EDAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)C1(O)CCCC1 45892310 ZKMFQAKXZHLDTL-GFCCVEGCSA-N 346.383 1.599 0 40 EDAB CCC(C)(C)NC(=O)[C@@H](C)N1CCCN(c2nccc(OC)n2)CC1 60340039 UZFDGXSMAWTORH-CQSZACIVSA-N 349.479 1.691 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C[C@@H](C)O1 106932008 XRVWOVCXERNCHB-BQGCOEIASA-N 332.400 1.221 0 40 EDAB C[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1cccc(-n2cccn2)c1 73205572 JPUONDGVNZVCQR-ZIAGYGMSSA-N 347.440 1.874 0 40 EDAB CC(=O)c1cc2c(cc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1)OCO2 38332974 VCCQVZCXPYCCJO-GHMZBOCLSA-N 334.372 1.666 0 40 EDAB CC1(C)C[C@@H](C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CCO1 38549900 QHHWCSVBSCFMCZ-SOUVJXGZSA-N 330.428 1.999 0 40 EDAB biogenic CC(=O)N1C(=O)[C@]2(N=C(N)NC(Nc3ccccc3)=N2)c2ccccc21 19327605 RBCNWVZVIMUULL-SFHVURJKSA-N 348.366 1.119 0 40 EDAB COCCNC(=O)CNC[C@H](c1ccc(OC)cc1)N1CCCC1 39620377 VRUZABIWYHUPGW-QGZVFWFLSA-N 335.448 1.184 0 40 EDAB Cc1nc([C@H]2CCCCCN2S(=O)(=O)c2cnn(C)c2)no1 96000601 QCANMSWIHADLAP-GFCCVEGCSA-N 325.394 1.418 0 40 EDAB Cn1nccc1CNS(=O)(=O)c1ccc(OCC(F)F)cc1 96009873 NWZSRIWYBNZHFS-UHFFFAOYSA-N 331.344 1.543 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CSc1nncn1C)CC2 5231271 HDPAIYRUQDBMTM-UHFFFAOYSA-N 348.428 1.509 0 40 EDAB CN(C)[C@@H](CNC(=O)c1cccc(OCC(N)=O)c1)c1ccco1 65520622 ZQMNYJAWLVEXKP-AWEZNQCLSA-N 331.372 1.176 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@H](C)c3c(C)noc3C)CC2)n1 65608017 HZHJPXUMQTWIQB-LLVKDONJSA-N 345.403 1.542 0 40 EDAB CCNC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 65604564 YXYKWZJLRBADIF-CQSZACIVSA-N 339.461 1.715 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC(Nc3ncccn3)CC2)cc1 14160659 RKZRLEPDHYEJCU-UHFFFAOYSA-N 348.428 1.750 0 40 EDAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)c1 4806768 IFVRHAFSRWEUGA-JOYOIKCWSA-N 349.339 1.398 0 40 EDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1F 15422021 WFQSOBCMXPQOKP-UHFFFAOYSA-N 347.371 1.893 0 40 EDAB CCCn1c(SCc2cc(=O)n3c(C)csc3n2)n[nH]c1=O 9495914 SFLMISONBYQQSV-UHFFFAOYSA-N 337.430 1.652 0 40 EDAB NC(=O)[C@H](CNC(=O)c1cccc2cn[nH]c12)Cc1ccc(F)cc1 67685253 LEYROYDGEGGFQK-ZDUSSCGKSA-N 340.358 1.776 0 40 EDAB CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCCn3nc(C)nc32)cc1 90226046 WPDPXNIOZDLBDR-IAQYHMDHSA-N 349.460 1.680 0 40 EDAB Cn1cc([C@H]2CCCN2CC(=O)NCCOc2ccccc2)cn1 71797310 AJODUUSLFDYMED-QGZVFWFLSA-N 328.416 1.752 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862739 XKAVJEGKFQKJFI-CYBMUJFWSA-N 340.420 1.646 0 40 EDAB C[C@H]1CN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 15919307 UMABMXLJKNQLBX-AOOOYVTPSA-N 329.447 1.140 0 40 EDAB O=C(N[C@H]1CCOC[C@@]12CCN(Cc1ccccn1)C2)N1CCCC1 306135691 OXXQELVUKWZOGS-HKUYNNGSSA-N 344.459 1.868 0 40 EDAB O=C1CCc2cc(C(=O)CSc3nnnn3C3CC3)ccc2N1 8232155 ZLUMZAAKMJIRSN-UHFFFAOYSA-N 329.385 1.868 0 40 EDAB COc1ccc(CN2CCN(C(=O)c3cc(C)nn3C)CC2)cc1F 71817190 BKZHXVWZUBZUKE-UHFFFAOYSA-N 346.406 1.834 0 40 EDAB O=C(CCc1ccsc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 71834926 GUKYLIBVHQXYMR-CQSZACIVSA-N 342.486 1.012 0 40 EDAB C[C@H](CNC(=O)c1cc2ccccc2c(=O)[nH]1)CN1CCCC1=O 71833124 RDOWKCNMNQZGEG-GFCCVEGCSA-N 327.384 1.516 0 40 EDAB CN(C)[C@]1(C(=O)N2CCN(C(=O)C3CC3)CC2)CCc2ccccc21 69434788 BYFUFAUTXKIEDC-HXUWFJFHSA-N 341.455 1.471 0 40 EDAB O=C(O)CCN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 69485298 CJYYULBOYQUFEJ-INIZCTEOSA-N 332.448 1.390 0 40 EDAB CCc1nnc(CN(C)[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)o1 71870786 RHEBBIGCUIJCQO-ZDUSSCGKSA-N 346.435 1.989 0 40 EDAB O=C(CCCn1cccn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 71863762 GLLGMNFVIAGJKW-GOSISDBHSA-N 342.443 1.541 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CCCN1C(=O)c1ccco1 71846613 GGDWCAKGYBTHCL-LBPRGKRZSA-N 343.387 1.081 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)ccc1=O 69568554 WOEOWNBNCJKJQO-CVEARBPZSA-N 333.432 1.194 0 40 EDAB CCC(=O)Nc1cccc(NC(=O)NCCS(=O)(=O)CC)c1 69646991 KKBLAIGEIVVVSV-UHFFFAOYSA-N 327.406 1.591 0 40 EDAB Cc1ccnn1-c1cccc(NC(=O)NCCN2CCOCC2)c1 71857048 BUFUAIKDWUVOQV-UHFFFAOYSA-N 329.404 1.634 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N1CC[C@H](c2cccc(F)c2)C1 69775968 IBOCVRNJFAQMGI-JSGCOSHPSA-N 326.393 1.512 0 40 EDAB COCCN(CC(=O)OC)C(=O)c1cc(F)ccc1Br 69739419 KJRWHFXLEYCVCY-UHFFFAOYSA-N 348.168 1.850 0 40 EDAB CN(C)CC(C)(C)CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1 69846923 VULTYQCWDDBGQC-CQSZACIVSA-N 341.521 1.782 0 40 EDAB COc1cccc2c(C)c(C(=O)N3CCN(C[C@H](C)O)CC3)oc12 69875070 LUVKZEMCLRXWPA-LBPRGKRZSA-N 332.400 1.888 0 40 EDAB COC[C@H](O)CN(C)CCC(=O)Nc1cc(Cl)ccc1OC 83859395 NLGOMEIPCAUKMV-GFCCVEGCSA-N 330.812 1.616 0 40 EDAB CCn1cc([C@H]2OCC[C@@H]2CNCc2cccc(C(N)=O)c2)cn1 83843522 OORVZTJROWLMLV-WBVHZDCISA-N 328.416 1.869 0 40 EDAB CC(C)n1ncc(C(=O)N2CCN(C[C@@H](C)O)CC2)c1C(F)(F)F 69980804 OHDJHMJAKXZJOY-LLVKDONJSA-N 348.369 1.621 0 40 EDAB O=C(CN[C@@H]1CCc2ncnn2C1)NCCCOC1CCCCC1 69976479 JICBGPXXMAUNCM-CQSZACIVSA-N 335.452 1.038 0 40 EDAB C[C@@H](C(=O)NCCc1cccs1)N1CCC[C@H](Cn2cncn2)C1 69928462 GBYNZBBZQNJDEJ-GJZGRUSLSA-N 347.488 1.799 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N(Cc1ccsc1)C1CC1)CC2 69976467 YHHGRUUHWQSTGY-AWEZNQCLSA-N 345.472 1.744 0 40 EDAB C[C@H]1CCCN(CCNC(=O)Cn2ccc(=O)c3ccccc32)C1 96999364 ZJAUQLGPNCBDIQ-HNNXBMFYSA-N 327.428 1.850 0 40 EDAB CC(C)Cn1ncnc1CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 97047875 NNLSUVDLENANFK-AWEZNQCLSA-N 327.388 1.597 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c2cccnc12 97013357 XORGTOKCFCTOTN-ZDUSSCGKSA-N 343.412 1.948 0 40 EDAB Cc1ccc(C(C)(C)C(=O)N2CCN(CCn3cncn3)CC2)cc1 72293053 QAUGULGIBYCSNJ-UHFFFAOYSA-N 341.459 1.709 0 40 EDAB COc1cccc2c1OC[C@H](C(=O)N[C@H]1CCc3nc(C)cn3C1)C2 72235896 XICKWSPCCBKOIG-CABCVRRESA-N 341.411 1.882 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)c1ccccc1N1CCOCC1 72278866 FGPDKRWPGIESNH-AWEZNQCLSA-N 326.400 1.465 0 40 EDAB COC[C@@H](NC(=O)N1CCN([C@H](C)c2ccccn2)CC1)C1CC1 97143129 IWVFCLFULILMFE-RHSMWYFYSA-N 332.448 1.895 0 40 EDAB COC[C@@H](C)NCc1ccc(OCC(=O)N2CCCC2)c(OC)c1 72659524 GPADEQSGVZKSDE-CQSZACIVSA-N 336.432 1.821 0 40 EDAB COc1ccc([C@H](CNC(=O)Nc2ccc(=O)n(C)c2)N(C)C)cc1 95377524 SYLSZWTZRPEKPC-INIZCTEOSA-N 344.415 1.818 0 40 EDAB CCc1cc(=O)n2nc(N3CCC[C@H](n4ccnc4)C3)sc2n1 95349645 DZQCKPWVYJHGPP-LBPRGKRZSA-N 330.417 1.751 0 40 EDAB CN(C)CCN1CCC(CNC(=O)[C@H]2Cc3ccccc3O2)CC1 74138103 BHCUALDXSQYIKV-GOSISDBHSA-N 331.460 1.380 0 40 EDAB COc1nc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc2ccccc12 95956170 NSHKHOPQOWREAR-GFCCVEGCSA-N 334.397 1.503 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 95997741 GSYIFFFJRLUPJI-CQSZACIVSA-N 331.420 1.055 0 40 EDAB O=C(NCCc1n[nH]c(=O)[nH]1)c1cc2ccccc2cc1OC(F)F 89241365 KRRNYAGHKUEBMA-UHFFFAOYSA-N 348.309 1.825 0 40 EDAB NS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 89768383 FGISDXPXHLAVKN-ZJUUUORDSA-N 337.228 1.502 0 40 EDAB Cc1noc([C@H](NC(=O)C2CCN(c3ncccn3)CC2)C(C)C)n1 89718513 XYXFNMOMVBNXMM-CQSZACIVSA-N 344.419 1.898 0 40 EDAB CC(=O)NCCCNC(=O)N1CCC(c2nnc3ccccn23)CC1 89962616 OFIGRAUGGGTALA-UHFFFAOYSA-N 344.419 1.145 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCN(CC2(CS(C)(=O)=O)CCC2)CC1 89920425 IFJJFZNEXKCXHZ-KBPBESRZSA-N 328.478 1.002 0 40 EDAB CC(C)(C)c1n[nH]c([C@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n1 76049770 QUXIXFQPIRILLT-LLVKDONJSA-N 332.408 1.936 0 40 EDAB CC(C)OCCCNC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 170380169 CZLGEFVHBBVMOL-UHFFFAOYSA-N 327.469 1.343 0 40 EDAB CC(C)NC(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 408573936 UEKZBQBJVGQILG-UHFFFAOYSA-N 341.411 1.971 0 40 EDAB CCNC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC(C)C)cc1 67896665 RRAHKFQOPBEABY-NVXWUHKLSA-N 349.431 1.745 0 40 EDAB biogenic,in-vitro C[C@@H](C(=O)N1CCC[C@H]1c1nc2ccccc2n1C)n1cnnn1 524735164 BGULSXIRPKNCSY-FZMZJTMJSA-N 325.376 1.485 0 40 EDAB C[C@@H]1CN(C)C[C@H](c2nc(-c3ccnc(-n4ccnc4)c3)no2)O1 527545641 XCKZBAAQGYVXGO-DGCLKSJQSA-N 326.360 1.709 0 40 EDAB CCc1nsc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1 76063624 HYQPTRVVMCXLSB-UHFFFAOYSA-N 336.421 1.158 0 40 EDAB Cc1cc(CCC(N)=O)cc([C@@H]2CCCN2Cc2ccnn2C)n1 72360520 GHDHRCQCTCHBQW-KRWDZBQOSA-N 327.432 1.879 0 40 EDAB CC(C)(O)Cn1cnc2ccc(I)cc2c1=O 73002605 XCWIULJHQBKUHW-UHFFFAOYSA-N 344.152 1.772 0 40 EDAB C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1c(F)c(F)cc(F)c1F 225754684 ADZUFGFRACLHID-SREIQFSDSA-N 343.298 1.061 0 40 EDAB CCn1ncc(CNC(=O)N[C@@H]2CCC[C@H](N3CCCC3=O)C2)n1 528043556 PONGJUWIFLJFBU-OCCSQVGLSA-N 334.424 1.031 0 40 EDAB O=C(O)CCN(C(=O)c1cc2c(nc1O)CCCC2)C1CCOCC1 572069180 UNLQSGUHHKFIRN-UHFFFAOYSA-N 348.399 1.762 0 40 EDAB O=C(NCCCc1cnc2ncnn2c1)c1cc(-c2ccccc2)n[nH]1 225644220 XLNMJYJAXDOOGK-UHFFFAOYSA-N 347.382 1.877 0 40 EDAB CCN(CC)C[C@@H]1OC[C@H](NC(=O)Nc2ccc(F)cc2F)[C@H]1O 514289397 SBDMIHQEKITHAC-SOUVJXGZSA-N 343.374 1.556 0 40 EDAB biogenic,in-vitro O=C(c1cscn1)N1CCc2ccc(=O)n(CC3CC3)c2CC1 96067768 LJKFAWZLRYZYJC-UHFFFAOYSA-N 329.425 1.956 0 40 EDAB CC(C)N(C)C[C@@H]1CN(C(=O)c2cscn2)Cc2nccn2C1 96188315 BVWMNALAGXDIIZ-ZDUSSCGKSA-N 333.461 1.952 0 40 EDAB CO[C@H]1CCN(C(=O)c2ccc(C)cn2)[C@@H]2CN(CC3CC3)C[C@H]12 96109453 IOTOSQSDBUTMHJ-JQHSSLGASA-N 329.444 1.961 0 40 EDAB O=C(c1ccncc1C(F)(F)F)N1CCC[C@](O)(c2cnn[nH]2)C1 583618945 LIPKPEPNEXGZHN-CYBMUJFWSA-N 341.293 1.342 0 40 EDAB OCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 97200328 KUGVRWHZXAIBGP-UHFFFAOYSA-N 342.378 1.284 0 40 EDAB C[C@@H](C(=O)N(C)C)[S@](=O)c1nncn1CCc1cccs1 96452460 AZFQUFBTEPZKNQ-CHNSCGDPSA-N 326.447 1.167 0 40 EDAB Cc1ccc(O[C@@H](C)CNC(=O)NC[C@H]2CN(C)CCN2C)cc1 96440134 OOXFRSCYZRABIT-HOTGVXAUSA-N 334.464 1.307 0 40 EDAB CS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 96040490 GLKDVGJWKANBCG-UKRRQHHQSA-N 344.408 1.430 0 40 EDAB O=C(NCc1cccs1)[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2 96110079 SXCDJTIZJHZEFS-BDJLRTHQSA-N 348.403 1.446 0 40 EDAB COc1cc(N2CCc3c(COCC4CC4)nn(C)c3C2)ncn1 96259899 SFTGHKLXKBXMBV-UHFFFAOYSA-N 329.404 1.708 0 40 EDAB O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2c(nc3ccccn3c2=O)O1 96230749 MVSWMVKLCYHJND-LBPRGKRZSA-N 336.303 1.834 0 40 EDAB CN1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1cccs1)C2 96230531 FLYNVBZWLAKHLI-KRWDZBQOSA-N 345.472 1.405 0 40 EDAB O=S(=O)(c1c(F)cccc1Cl)N1CCCN(CCO)CC1 97380107 RFNDWXVUCYKSQL-UHFFFAOYSA-N 336.816 1.168 0 40 EDAB O=C(c1cscn1)N1CCOC2(CCN(c3ncccn3)CC2)C1 96158922 RLQJOMNKABFHAH-UHFFFAOYSA-N 345.428 1.445 0 40 EDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1cn2cc(Cl)ccc2n1 96404453 ODDSDOXBCLSYOO-SECBINFHSA-N 341.820 1.570 0 40 EDAB Cc1ccoc1CNC(=O)N1CCC2(CCC2)S(=O)(=O)CC1 583552092 HIAQFYLZFZYVGV-UHFFFAOYSA-N 326.418 1.841 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)Cn1ccc(-c2ccsc2)n1 96447936 LPESLWSIYQRYAK-UHFFFAOYSA-N 334.445 1.985 0 40 EDAB CN(C)C(=O)NCc1nnn2c1CN(Cc1ccsc1)CCC2 96259510 DRPFDCXSXQUGPZ-UHFFFAOYSA-N 334.449 1.517 0 40 EDAB O=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(Cc3cccs3)C2)C1 96225595 JBVMSTKGWKDUET-SUMWQHHRSA-N 349.456 1.764 0 40 EDAB O=C1[C@@H](NS(=O)(=O)N2CCc3ccccc3C2)C[C@@H]2CCCCN12 584399534 QAKDPPWUICHFJA-HOTGVXAUSA-N 349.456 1.033 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)s1 257327337 XAYUJNCWSLIBKV-QGZVFWFLSA-N 346.456 1.950 0 40 EDAB COc1ccc2ccccc2c1CN1CCN(C)C[C@@H](C(N)=O)C1 257243827 IISIBNZDQVHMBP-OAHLLOKOSA-N 327.428 1.697 0 40 EDAB Cc1c(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)cnn1C 585087307 JMYCMRLGWCBNQE-UHFFFAOYSA-N 343.355 1.655 0 40 EDAB C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1F)[C@@H]1CN(C)CCN1C 585125793 FXYLIAWERCWEBP-KCJUWKMLSA-N 333.329 1.607 0 40 EDAB CC(C)n1c(S)nnc1[C@@H]1CCCN(C(=O)Nc2ccn(C)n2)C1 585119995 FKPXAIQUVATDIT-LLVKDONJSA-N 349.464 2.293 0 40 EDAB CC[C@@H](C)NC(=O)c1cnc(C2=NC(=O)[C@@](C)(C(C)C)N2)c(O)c1 585121281 KVXUEOCWYDOBIA-BMLIUANNSA-N 332.404 1.607 0 40 EDAB Cc1cc(N[C@H](CO)[C@@H](O)c2ccc(Cl)cc2)n2ncnc2n1 585132774 URCNIZMMEQTASH-OCCSQVGLSA-N 333.779 1.593 0 40 EDAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)CCOc2ccccc2)n1 257284431 PCRQJVRLDYIVDC-INIZCTEOSA-N 343.383 1.860 0 40 EDAB CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1C(=O)C1CCCCC1 257290065 QBLCAHNAWQZRSZ-SFHVURJKSA-N 330.432 1.963 0 40 EDAB Cn1nccc1CCC(=O)N1CCC[C@@H](Cc2nccnc2N)C1 257288120 PSXZWLSTBDXUNE-ZDUSSCGKSA-N 328.420 1.206 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)c2cscn2)C1 257308692 TXSPHUUEYIROLE-VIFPVBQESA-N 340.430 1.290 0 40 EDAB CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)NCC1CC1 65016697 UHRBTLCZSOJSEP-UHFFFAOYSA-N 340.445 1.910 0 40 EDAB C[C@H]1CC[C@H](CCC(=O)NCc2cccc(N3CCOCC3)n2)O1 274772935 JBWQCSOUONRPGZ-GOEBONIOSA-N 333.432 1.882 0 40 EDAB CC(C)(C)N1C[C@H](NC(=O)CCN2Cc3ccccc3C2=O)CC1=O 1616044635 KKDKGPJJCZRWJQ-CQSZACIVSA-N 343.427 1.548 0 40 EDAB COC[C@@]1(C(=O)OC(C)(C)C)CCCN1C(=O)[C@H]1CCCCO1 600133085 JTWPYTSGDZOMAU-CXAGYDPISA-N 327.421 1.905 0 40 EDAB COc1nc(CNC(=O)Nc2ccccc2F)nc(N2CCCC2)n1 575603796 KVVMFAAHCSTZRL-UHFFFAOYSA-N 346.366 1.941 0 40 EDAB CC(C)CC(=O)N1CC2(CC[C@H](CNC(=O)c3cnccn3)CO2)C1 575404051 LVQYWIXNDLVAMD-CQSZACIVSA-N 346.431 1.260 0 40 EDAB O=C(c1cc[nH]n1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 575405287 YFPYICAGTFDKAA-ZDUSSCGKSA-N 328.372 1.505 0 40 EDAB CNC(=O)[C@H]1COC2(CN(Cc3ccsc3)C2)CN1CC1CC1 585109216 DAPJTLQTEXHCID-OAHLLOKOSA-N 335.473 1.159 0 40 EDAB COc1cccc([C@H]2CO[C@]3(C2)CN(Cc2cn[nH]c2)C[C@H]3O)c1 585290347 BTOXGBPFXVLLBN-KBAYOESNSA-N 329.400 1.538 0 40 EDAB Cc1ccccc1S(=O)(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C 585097105 HMMDYDNGOUYVBF-MRXNPFEDSA-N 348.472 1.716 0 40 EDAB O=C(NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O)c1ccc(O)nc1 585284399 IAPSXPPNBKCCDF-SRCQZFHVSA-N 328.368 1.736 0 40 EDAB O=C(Nc1nc2ccc(F)cc2[nH]1)[C@@H]1CC[C@H](CN2CCOCC2)O1 935697809 NHXRHMBRRKNFIQ-DOMZBBRYSA-N 348.378 1.520 0 40 EDAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cn3ccc(C)cc3n2)C1 48466347 XHHDZAMNOMNZFQ-ZDUSSCGKSA-N 330.388 1.993 0 40 EDAB C[C@H](CNC(=O)NCC1(O)CCCCCC1)CN1CCN(C)CC1 74655102 MRGIVJCHEQFDJR-MRXNPFEDSA-N 340.512 1.254 0 40 EDAB COc1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc(OC)c1C 75606482 IVQGWIKNSIMKSM-CVEARBPZSA-N 348.443 1.683 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CCC(N2CCC[C@@H]2CO)CC1 96099762 GFMQXFKSNZPWRD-OAHLLOKOSA-N 342.436 1.436 0 40 EDAB Cn1c(=O)/c(=C/c2c(F)cccc2F)s/c1=C/C(=O)C(C)(C)C 96759243 QWWDUKHFPBRRSU-LHHRFCNSSA-N 337.391 1.950 0 40 EDAB COc1nccc2cc(NC(=O)N3CCN(C[C@H](C)O)CC3)ccc12 582829211 LIKISCLTWCXMSV-ZDUSSCGKSA-N 344.415 1.774 0 40 EDAB COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3nc[nH]c32)c(OC)c1OC 5634312 NVAMUYXVNLMYHW-PWSUYJOCSA-N 333.344 1.124 0 40 EDAB CCn1cc(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)c(C)n1 12276850 PWGKNJHUZTXMRI-UHFFFAOYSA-N 329.404 1.680 0 40 EDAB CCCNC(=O)[C@@H](C)NC(=O)CSCc1ccc(C(=O)O)cc1 13232779 MRLPGAICOWGOTK-LLVKDONJSA-N 338.429 1.649 0 40 EDAB Oc1nc(N2CCOCC2)nc2c1CCN(C[C@@H]1CC=CCC1)CC2 19014463 VKXBORGFXYHZNO-OAHLLOKOSA-N 344.459 1.776 0 40 EDAB CS(=O)(=O)N1CCCN(c2ccnc3c(F)cc(F)cc23)CC1 157934005 VNISSAPHLIWZKT-UHFFFAOYSA-N 341.383 1.985 0 40 EDAB CN(C(=O)c1cccs1)c1ccc(OCC(=O)NCC(=O)O)cc1 3306503 PLKWFZJQXVHPRG-UHFFFAOYSA-N 348.380 1.604 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 4468742 XLLQJPMGXSQORU-SFHVURJKSA-N 329.400 1.638 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Cl)cc1 4948917 MYCHMDDPNXGXTH-UHFFFAOYSA-N 325.777 1.312 0 40 EDAB COc1cccc(CN2CCO[C@H](C(=O)N3CCSCC3)C2)c1 1888864347 QYKQOOHYFPBBMO-INIZCTEOSA-N 336.457 1.471 0 40 EDAB O=C1CN(C2CN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CCN1 1888897603 SOQZPDBBOCLQJF-UHFFFAOYSA-N 328.199 1.250 0 40 EDAB C[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 100059859 FYFGEWYFSABBCF-DSZLRUIBSA-N 333.727 1.871 0 40 EDAB Cc1ncc(C(=O)N2CC[C@@H]3C[C@@]32C(=O)NCc2cccnc2)cn1 2056223813 COLRCEQXAIHOAN-QAPCUYQASA-N 337.383 1.101 0 40 EDAB CCS(=O)(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CC2)CC1 2056225286 IIIFBEQEZMEFRR-AWEZNQCLSA-N 346.468 1.931 0 40 EDAB Cc1nc(SCc2ccccc2C)c2c(=O)n(C)c(=O)n(C)c2n1 4138832 CERNFSUIJFLOOK-UHFFFAOYSA-N 342.424 1.936 0 40 EDAB O=C(c1noc2c1C[C@@H](NCc1ccncc1)CC2)N1CCCC1 2055739336 RJFZVCPYAFCXKV-AWEZNQCLSA-N 326.400 1.953 0 40 EDAB Cc1cc(NC[C@H](c2ccco2)N2CCOCC2)n2ncnc2n1 1775972578 LOXIOEJHHFNTMM-CYBMUJFWSA-N 328.376 1.511 0 40 EDAB O=C([C@H]1CN(c2ccc(C(F)(F)F)nc2)CCO1)N1CCCC1 2086850126 GGAQEVRUCBJECH-GFCCVEGCSA-N 329.322 1.928 0 40 EDAB O=S(=O)(c1c(F)cccc1F)N1CC[C@@H](Oc2cnsn2)C1 618257237 SOKNCQBZPVPAIT-MRVPVSSYSA-N 347.368 1.658 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)Cc2ccccc2F)CC1 31000828 FHLMJJMROYZVKV-UHFFFAOYSA-N 328.409 1.299 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc(C(=O)O)cc1 100634108 RFPKWAJKRSWJOD-GVARAGBVSA-N 340.335 1.130 0 40 EDAB COC(=O)c1ccc(=O)n(CC(=O)N(C)Cc2ccccc2C)c1 40490296 HRDZAOUUSHZKOI-UHFFFAOYSA-N 328.368 1.602 0 40 EDAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 100792168 SCIKMOZXUNDISF-JFILPPLUSA-N 339.395 1.456 0 40 EDAB biogenic O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1CC(=O)N(CC2CC2)C1 40511973 QNKORQFJIOIPNN-AWEZNQCLSA-N 344.415 1.115 0 40 EDAB COCCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(F)c(Cl)c1 40540025 DYXMOUVFOFAHAB-VIFPVBQESA-N 337.800 1.794 0 40 EDAB C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101148419 VXSGAVQXYGMXPD-TZHPCZLDSA-N 328.343 1.960 0 40 EDAB CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2Cc3ccccc3O2)cc1 33112555 BKNIFUJDHIHTPQ-INIZCTEOSA-N 345.420 1.965 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)CCCN2C(=O)CNC2=O)cc1 52920378 HHCJMVKREDSAIH-HNNXBMFYSA-N 345.399 1.691 0 40 EDAB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2cccc(F)c2)n1 103155224 KRGONKNMLGXJML-SYQHCUMBSA-N 342.330 1.132 0 40 EDAB CCCn1nc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)ccc1=O 22840363 CMIRGONGMSTQKB-KRWDZBQOSA-N 340.427 1.782 0 40 EDAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1 42380929 XVEHZLAYGIWXCK-MRXNPFEDSA-N 342.443 1.379 0 40 EDAB CCN(CC)[C@@H](CNC(=O)C1=NN(C)C(=O)CC1)Cc1ccccc1 23197635 FIOBZKDPBYFPQV-MRXNPFEDSA-N 344.459 1.664 0 40 EDAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC(NS(C)(=O)=O)CC1 54209492 YRACSROJGDMDTG-LBPRGKRZSA-N 349.456 1.753 0 40 EDAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1nccs1 47516259 HILKBTZKZZVWRN-UHFFFAOYSA-N 344.400 1.473 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cn1 42825721 DWDJBSKWGZOESM-OAHLLOKOSA-N 347.415 1.332 0 40 EDAB COc1cn(CC(=O)Nc2ccc(NC(C)=O)cc2)c(C)cc1=O 12449749 WTBMRLHOGSOOQR-UHFFFAOYSA-N 329.356 1.762 0 40 EDAB biogenic CCC1(CC)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O 24209679 BZBSYXIOBWOYOC-CYBMUJFWSA-N 338.379 1.814 0 40 EDAB Cc1nc(CSCCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cs1 24448055 ACWRCHBOWUFMHN-CYBMUJFWSA-N 348.515 1.768 0 40 EDAB O=C1O[C@H](C(=O)NCc2cccnc2-n2cccn2)Cc2ccccc21 24590500 YHLFOVUMFHRZDC-INIZCTEOSA-N 348.362 1.665 0 40 EDAB O=C(NCCNC(=O)N1CCc2sccc2C1)c1cccnc1 79254597 WDTIYCXQFKZQOI-UHFFFAOYSA-N 330.413 1.641 0 40 EDAB CC(=O)NCCC(=O)N(C)CC(=O)Nc1cccc2ccccc12 12568897 SFJJIAMJYSCZEG-UHFFFAOYSA-N 327.384 1.763 0 40 EDAB C[C@@H](NC(=O)NCCNc1cnccn1)c1ccc2c(c1)OCCO2 43482894 WQXLCAREMDRIAL-GFCCVEGCSA-N 343.387 1.720 0 40 EDAB O=C(Nc1cnccn1)c1c(O)c2c(n(C3CC3)c1=O)CCCC2 4487151 BWZWKLSXLHGXLZ-UHFFFAOYSA-N 326.356 1.810 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(-n2cnnn2)c1C 12508269 XBVPAXHEAZGRJG-UHFFFAOYSA-N 333.377 1.111 0 40 EDAB NC(=O)[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1 25481262 CJSNIYYBZHCBJO-MRXNPFEDSA-N 327.384 1.700 0 40 EDAB CN(C)c1ccc(CCC(=O)Nc2nc(CC(N)=O)cs2)cc1 12522078 GWXKRPSIGIVXGX-UHFFFAOYSA-N 332.429 1.808 0 40 EDAB CC(=O)Oc1ccc(C(=O)COC(=O)CNC(=O)c2ccco2)cc1 10042525 MKZSAZVRWQWSGC-UHFFFAOYSA-N 345.307 1.361 0 40 EDAB Cn1c(N)c(-c2csc(Cc3ccccc3)n2)c(=O)n(C)c1=O 12595121 BNVPZZAELZCABC-UHFFFAOYSA-N 328.397 1.381 0 40 EDAB NC(=O)C1CCN(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 57197435 QHVMRFJAELHYMH-JKSUJKDBSA-N 349.406 1.953 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 108455756 NFIZDXNDGOWHIO-WRFANHODSA-N 342.370 1.591 0 40 EDAB CN1CCN(C(=S)c2ccc(OCC(=O)N3CCCC3)cc2)CC1 8091790 FCWMFCGNDWYFGF-UHFFFAOYSA-N 347.484 1.611 0 40 EDAB COC(=O)c1ccccc1NC(=O)CN1CCC2(CC1)OCCO2 26933299 QEBBYDFFRXAXHX-UHFFFAOYSA-N 334.372 1.251 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1OC(F)F 10030496 MDBFFEYXDAPOJT-JTQLQIEISA-N 334.344 1.651 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc(Cl)c2c(c1)OCCO2 44720010 OBPCKQXCQUYSKK-SECBINFHSA-N 345.804 1.276 0 40 EDAB Cc1cc(C)n(C2CN(C[C@@H](O)c3ccc(S(C)(=O)=O)cc3)C2)n1 72268745 HTNSYNMZJHRBNX-QGZVFWFLSA-N 349.456 1.494 0 40 EDAB Cn1cnnc1CNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 58195555 ZFMCHPRWPMPAFC-NWDGAFQWSA-N 335.205 1.998 0 40 EDAB Cc1cc(CN2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)on1 44893012 GEDMWDBAWCXAAV-UHFFFAOYSA-N 345.447 1.610 0 40 EDAB C[C@H](c1ccncc1)N(C)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 58264791 ASSDJXKWOLVVAG-GFCCVEGCSA-N 338.367 1.304 0 40 EDAB CC(C)N1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 44909406 ZNWGXJFZUMJKQQ-UHFFFAOYSA-N 330.388 1.056 0 40 EDAB Cc1c(O[C@@H](C)C(=O)NCC(=O)O)ccc2c3c(c(=O)oc12)CCC3 2100809 OXJHJQOKTYQZGP-JTQLQIEISA-N 345.351 1.558 0 40 EDAB biogenic C[C@@]1(c2ccc(Br)cc2)CC(=O)N(CCC(N)=O)C1=O 58379785 XTYBVMCZVWNCHR-AWEZNQCLSA-N 339.189 1.341 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCOCC3)c2)cc1 28054025 CIWGYRXCDPNAEU-UHFFFAOYSA-N 347.440 1.705 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1 101261613 HWGDPWQYIQOKHA-BDXSIMOUSA-N 340.423 1.854 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1ccc(F)cc1 2214693 KQAWGWNYKGMVSL-ZDUSSCGKSA-N 344.342 1.700 0 40 EDAB COc1ccc(OCC(=O)N2CCN(Cc3ccncc3)CC2)cc1 28693244 JLYJBJLVQFCRRM-UHFFFAOYSA-N 341.411 1.813 0 40 EDAB Cn1nnnc1-c1cccc(NC(=O)Cc2cn3ccsc3n2)c1 12531697 YPLYWPXLUAVWRG-UHFFFAOYSA-N 339.384 1.768 0 40 EDAB Cc1cccn2c(CN[C@@H]3CCN(S(C)(=O)=O)C[C@@H]3C)cnc12 72300544 CTUJAYZVKCJZBW-DZGCQCFKSA-N 336.461 1.402 0 40 EDAB O=C(CSC(=S)N1CCOCC1)c1ccc2c(c1)OCCO2 2431283 LMCLICSTKQJFAG-UHFFFAOYSA-N 339.438 1.991 0 40 EDAB Cc1cc(C(=O)NC2CCN(C3CC3)CC2)c2c(C)nn(C)c2n1 29094690 SGFHVTQNTFKGLW-UHFFFAOYSA-N 327.432 1.942 0 40 EDAB CCc1c(C(=O)N2CCN(C(C)=O)CC2)cnn1Cc1ccccc1 97294170 MXIUXCIFNGHBTE-UHFFFAOYSA-N 340.427 1.798 0 40 EDAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1cn(C)nc1C(N)=O 2780479 ZQVJAXJJVQQENA-ZETCQYMHSA-N 344.297 1.242 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)NC[C@H](C)N1CCOCC1 48232072 SLNUMWWAMRAOCY-AWEZNQCLSA-N 336.436 1.389 0 40 EDAB CC[C@@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)C(C)C 48274643 KFNLRCCEOCUELA-CYBMUJFWSA-N 330.388 1.584 0 40 EDAB CN(Cc1ccc(O)cc1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 48288218 PBPIMDIQKRXECF-HNNXBMFYSA-N 341.415 1.993 0 40 EDAB COc1cc(NC(=O)CN2NC(=O)C[C@@H]2C)c(OC)cc1Cl 12814192 MVYLBHFZQMAVTD-QMMMGPOBSA-N 327.768 1.421 0 40 EDAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCC(C)C)cc1 28209393 CJQMSYRIXHYPNL-AWEZNQCLSA-N 338.429 1.447 0 40 EDAB C[C@H]1CCc2sc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cc2C1 12940733 UFWXRYMHOPLVIC-JTQLQIEISA-N 347.440 1.687 0 40 EDAB COc1ccc(CNC(=O)CN2C(=O)C3(CCCC3)N=C2O)cc1 3611701 ABNLPLJIHVXMSA-UHFFFAOYSA-N 331.372 1.380 0 40 EDAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cnccn2)C[C@@H](C)O1 13005350 LYSPVBGNLXBACE-BETUJISGSA-N 340.383 1.978 0 40 EDAB Cc1ccc(C(=O)OCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cn1 13004602 MPIRXKJVJGMEDH-UHFFFAOYSA-N 341.367 1.994 0 40 EDAB C[C@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CCSCC1 95432794 XPFARAXUWMISRB-OAHLLOKOSA-N 347.484 1.408 0 40 EDAB CC(=O)N1CC[C@H](NC(=O)COc2ccccc2Br)C1 95448969 SHWSROFHOROYMR-NSHDSACASA-N 341.205 1.565 0 40 EDAB O=C1c2ccccc2S(=O)(=O)N1Cc1cccc2c1OCCO2 64338490 ZHBYBXIXSLWMMP-UHFFFAOYSA-N 331.349 1.803 0 40 EDAB CCS(=O)(=O)CCn1cc(NC(=O)Cc2c(C)noc2C)cn1 95399524 WPAAKKJLAVSCNA-UHFFFAOYSA-N 340.405 1.104 0 40 EDAB COCCOC(=O)c1c(C)oc2ccc(NS(C)(=O)=O)cc12 5034828 XMMAJSZDZXZHBX-UHFFFAOYSA-N 327.358 1.916 0 40 EDAB Nc1nccnc1C(=O)NCC1CCN(Cc2cccs2)CC1 61636147 SQZZCIIBFLWYJX-UHFFFAOYSA-N 331.445 1.762 0 40 EDAB CC(C)(C)CN(CC(F)(F)F)C(=O)CN1C(=O)NC(C)(C)C1=O 65585555 WQHWSPZJDVNWHU-UHFFFAOYSA-N 337.342 1.754 0 40 EDAB CC1CCN(c2nnc(SCCO)n2C[C@@H]2CCCO2)CC1 65622254 PBOYPBRRTUWKBG-ZDUSSCGKSA-N 326.466 1.778 0 40 EDAB NC(=O)c1ccc(OCC(=O)N2CCC[C@@H](n3cccn3)C2)cc1 65609682 FMUUESBRRGTUPG-CQSZACIVSA-N 328.372 1.225 0 40 EDAB CCN(C[C@@H]1CCOC1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C 65611098 KEUJYBOVQRPZGU-LBPRGKRZSA-N 338.433 1.324 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 14199947 BQJJZICPKJRGHV-CABCVRRESA-N 338.496 1.807 0 40 EDAB CC[C@H]1CN(C(=O)c2csc(COC)n2)C[C@H]1N1CCOCC1 84736149 HEJGOYIJHPQXHX-GXTWGEPZSA-N 339.461 1.472 0 40 EDAB CC[C@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@@H]1N1CCOCC1 84735904 BVQIDTBGNAUJND-RDJZCZTQSA-N 342.443 1.446 0 40 EDAB COc1ccccc1-n1cnnc1SCC(=O)NC[C@@H]1CCCO1 5885292 GDDUCNLCIXGLGS-LBPRGKRZSA-N 348.428 1.663 0 40 EDAB COCCOCCNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 67065674 PASMTHKWVBHNGT-HNNXBMFYSA-N 344.358 1.711 0 40 EDAB CCCC(=O)N[C@@H]1CCCN(c2ccc(-n3ccc(C)n3)nn2)C1 96458977 UUQDBXGCZIFCDH-CQSZACIVSA-N 328.420 1.856 0 40 EDAB CCc1nc([C@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)no1 67941249 FBGDLCUWXSYGMD-NSHDSACASA-N 326.360 1.923 0 40 EDAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccco3)cc2)C1=O 15842670 SULRWFOOZDZUCG-NSHDSACASA-N 348.380 1.522 0 40 EDAB COc1ccc(C(=O)[C@H](C)OC(=O)C2=NNC(=O)CC2)c(OC)c1 7778384 AWJCUZRMHFFLNK-VIFPVBQESA-N 334.328 1.084 0 40 EDAB Cc1c(C(=O)NC[C@@H]2CCOC2)nnn1-c1cccc2cccnc12 71889240 SGIWJAFSDCRDIR-ZDUSSCGKSA-N 337.383 1.890 0 40 EDAB C[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccc([S@](C)=O)cc1 90799430 HDMIFAOLKNFYJU-MTNMJMNLSA-N 344.502 1.499 0 40 EDAB Cc1cnn(CC2CCN(C[C@H](O)CN3CCC(C)CC3)CC2)c1 71877024 YFPJCYJHUILUIK-LJQANCHMSA-N 334.508 1.996 0 40 EDAB Cc1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 16378933 KQTNZYFIQSEYFE-WBVHZDCISA-N 345.443 1.645 0 40 EDAB COCCNC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 16409713 YHOTUJNLBBWCIX-GXDHUFHOSA-N 344.371 1.865 0 40 EDAB COc1ccc(CCCNC(=O)N2CCC(C(N)=O)CC2)cc1OC 71830922 MWAFCIODSKYSMD-UHFFFAOYSA-N 349.431 1.543 0 40 EDAB COCCN(CC(F)F)C(=O)NC1CCN(c2ncccn2)CC1 71803441 DWXHIIVVVXGXOQ-UHFFFAOYSA-N 343.378 1.369 0 40 EDAB CN(CC1CC1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 83859092 GKBHCKFHXYLXEO-UHFFFAOYSA-N 339.385 1.713 0 40 EDAB COC(=O)c1sc2cccc(F)c2c1CNC(=O)c1cnn[nH]1 70009926 VZZNPMUCLZAZJW-UHFFFAOYSA-N 334.332 1.875 0 40 EDAB c1cnn(CCNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 70039737 WIXCXBGCMQTDAU-UHFFFAOYSA-N 325.372 1.834 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCCC[C@@H]3CN(C)C)cnc12 69347918 YLLUJXQOQAWGOX-OAHLLOKOSA-N 342.443 1.648 0 40 EDAB Cc1noc([C@H](C)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1 69350552 QBKZGJTUXAEJNY-NSHDSACASA-N 340.387 1.773 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 8379749 VUGXTWZYFIHFBD-FZMZJTMJSA-N 342.848 1.829 0 40 EDAB C[C@@H](CNC(=O)c1nnn(-c2ccccc2)c1C(F)(F)F)N(C)C 69456073 SXTDZOKWHBDETD-JTQLQIEISA-N 341.337 1.966 0 40 EDAB O=C(C1CCC1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 69592808 JOXRJLAAZWPLJK-AWEZNQCLSA-N 340.420 1.895 0 40 EDAB COc1ccccc1[C@@H]1C[C@H]1C(=O)NCCN1CCN(C(C)=O)CC1 69510612 MYHVOVXLBUVLRA-DLBZAZTESA-N 345.443 1.079 0 40 EDAB COc1ccc(-c2nc(CN3CCn4c(C)nnc4C3)no2)cc1 69616581 GIELSHIFRSMIKX-UHFFFAOYSA-N 326.360 1.661 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1cc(OC)c3c(c1)OCO3)CC2 69745053 PHWORKZNENZTOL-GFCCVEGCSA-N 330.388 1.682 0 40 EDAB COc1ccc(OC)c(C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c1 69901007 ODGNDOYOWYGZFD-NSHDSACASA-N 341.429 1.742 0 40 EDAB NC(=O)NCCCCCC(=O)N1CCN(c2ccc(F)cc2)CC1 8720667 PXMYKSCQKJLEIS-UHFFFAOYSA-N 336.411 1.703 0 40 EDAB O=C(NC1CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 8935587 LSQBTBITQYBUQS-UHFFFAOYSA-N 343.836 1.518 0 40 EDAB C[C@@H](O)c1cn(C2CN(C(=O)COc3ccc(Cl)cc3)C2)nn1 95998077 PGDDDMYZWQYGEB-SNVBAGLBSA-N 336.779 1.447 0 40 EDAB Cc1c(C(=O)N(C)Cc2ccco2)cnn1[C@H]1CCS(=O)(=O)C1 95950127 DIWCRIUCDQOURA-LBPRGKRZSA-N 337.401 1.416 0 40 EDAB Nc1nccnc1C(=O)N[C@@H]1CCc2nnc(-c3ccccc3)n2C1 95998173 UUGYCZMZLXCDKG-GFCCVEGCSA-N 335.371 1.062 0 40 EDAB CCS(=O)(=O)c1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1 89274578 KGRCZEFAYOKQJU-UHFFFAOYSA-N 339.413 1.853 0 40 EDAB Cc1cn2c(=O)c(C(=O)N(CCO)Cc3ccsc3)cnc2s1 89342399 RNFUPRSTHHEDLN-UHFFFAOYSA-N 349.437 1.761 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)CC1 75131203 TURGJXSJTNPTEU-OAHLLOKOSA-N 345.443 1.342 0 40 EDAB O=C1CC[C@H](C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)N1 89885003 PKFXYRTXCQQCMK-KGLIPLIRSA-N 332.791 1.521 0 40 EDAB CS(=O)(=O)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 75582580 ZMGBMOZRSIDKFF-LBPRGKRZSA-N 345.490 1.229 0 40 EDAB CCCn1nc2c(cc1=O)CN(CCC(=O)N1CCCCC1)CC2 76064399 SIBYOXAXJCBYPW-UHFFFAOYSA-N 332.448 1.414 0 40 EDAB Cc1ccc(NC(=O)C[C@@H](NCCN(C)C)C(=O)O)cc1Cl 22792438 VMJXNRJFWSFJGD-CYBMUJFWSA-N 327.812 1.581 0 40 EDAB NS(=O)(=O)c1ccc(OC[C@H]2CCCN2c2nccs2)cc1 1548453501 TYSALGDEPXCAIG-LLVKDONJSA-N 339.442 1.838 0 40 EDAB CCOc1ccccc1NC(=O)C[C@@H]1SC[C@H](C(=O)O)NC1=O 20635111 JPJIJWLRSKPCFG-PWSUYJOCSA-N 338.385 1.099 0 40 EDAB COc1ccccc1CN1C[C@H](C(=O)Nc2cnn(C)c2)CC1=O 61720563 MRVPINVTEYJRTC-CYBMUJFWSA-N 328.372 1.416 0 40 EDAB CC(C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NC1CCCC1 35876640 NLYCQVMJHVNSDE-MSOLQXFVSA-N 343.471 1.901 0 40 EDAB CCCNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1C 408626787 WZSNJJGPFQUEQI-ZDUSSCGKSA-N 340.445 1.592 0 40 EDAB CC(C)N1CCN(C(=O)c2cnc(C[C@H]3CCCN(C)C3)cn2)CC1 72369347 UFLCHOCDHLJJMP-MRXNPFEDSA-N 345.491 1.527 0 40 EDAB CC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 36684300 UQWIQPHIAQKHPK-UHFFFAOYSA-N 333.413 1.425 0 40 EDAB Cc1nn(C)cc1CCC(=O)N1CCN(C2=NC[C@H](C)S2)CC1 73118229 WTFYBGDTZSJILK-LBPRGKRZSA-N 335.477 1.297 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Cl)cc1 218514402 SIPVHLNMZGRCOT-YDHLFZDLSA-N 345.848 1.749 0 40 EDAB CNC(=O)c1ccc([C@@H]2CN(Cc3scnc3C)CCO2)nc1 72388103 LMDCVTONQFNYIP-AWEZNQCLSA-N 332.429 1.780 0 40 EDAB O=C1CC[C@@H](C(=O)NCc2cc(-c3cc4ccccc4o3)on2)N1 38754625 ZIFMGGPQRQKFSI-LBPRGKRZSA-N 325.324 1.983 0 40 EDAB CN(C)C(=O)Cc1cccc(NC(=O)c2nccnc2C(=O)O)c1 71288906 NZSXRELBLLDPCI-UHFFFAOYSA-N 328.328 1.058 0 40 EDAB CC(=O)N(CCC(=O)NCCNC(=O)C1CC1)Cc1ccccc1 78395016 ZRPRXRSRLAWUCB-UHFFFAOYSA-N 331.416 1.068 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@]2(N)C(=O)O)cc1 218643110 YPVCWLHYZRDBNT-INMHGKMJSA-N 349.383 1.856 0 40 EDAB CCN1CCN([C@@H](C)CNS(=O)(=O)Cc2cccc(C)c2)CC1 189118529 ZPJPZZKPHLLTAY-INIZCTEOSA-N 339.505 1.440 0 40 EDAB O=C(NCc1ccccn1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 70815878 FDVSRMUTVGHETK-UHFFFAOYSA-N 339.351 1.199 0 40 EDAB COc1cncc(O[C@H]2CCCN(C(=O)c3cnc(C)cn3)C2)n1 225500512 MLEWPBWTXOMCGQ-LBPRGKRZSA-N 329.360 1.267 0 40 EDAB O=C(Nc1cccc2c1OCO2)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 576677386 SRDKAZYFEMGIIH-AAEUAGOBSA-N 338.385 1.599 0 40 EDAB Cn1nc(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)c2c1CCCC2 571154335 XWFQEYHIWLWOCC-HNNXBMFYSA-N 344.440 1.674 0 40 EDAB COc1ccc(C(=O)N2CC[C@H](Oc3nccnc3OC)C2)cc1F 225387186 LSKHPTWLHUXVSG-LBPRGKRZSA-N 347.346 1.926 0 40 EDAB O=C1COC(=O)N1[C@H]1CCN(S(=O)(=O)/C=C/c2ccccc2)C1 225703377 WVFQYBCBSCCTGN-XOVSCCBYSA-N 336.369 1.040 0 40 EDAB CCc1cnc(CN(C)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)s1 83214818 DPYBFXWPOZLQIH-CHWSQXEVSA-N 338.477 1.710 0 40 EDAB C[C@H]1CCN(C(=O)NCCc2cccc(C(N)=O)c2)C[C@H]1C(=O)O 578067522 SLULFGHQUFYETL-SMDDNHRTSA-N 333.388 1.080 0 40 EDAB CCOC(=O)CCCCn1nnc([C@H](C)NC(=O)OC(C)(C)C)n1 585118718 ZKPINFPOPDORPO-NSHDSACASA-N 341.412 1.992 0 40 EDAB CNc1nc(CNc2cnn(C)c(=O)c2Br)cs1 96447417 GBVHDPUCXATFPW-UHFFFAOYSA-N 330.211 1.653 0 40 EDAB O=C(NCc1ccco1)C1=NO[C@]2(CCN(Cc3ccco3)C2)C1 96225838 ASESIOHCQKARGM-QGZVFWFLSA-N 329.356 1.910 0 40 EDAB CCC[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)N=S(C)(C)=O)C1 585116629 CUTGBQYZMOGPED-STQMWFEESA-N 331.482 1.257 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3cccs3)C2)O1 96207147 OEZCWSAIHWUIKL-DZGCQCFKSA-N 344.502 1.811 0 40 EDAB CNC(=O)N1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 96086807 BBLKBTBMSGOBEJ-UHFFFAOYSA-N 333.436 1.344 0 40 EDAB Cc1ccc(CN2Cc3nccn3C[C@@H](COCC(=O)N(C)C)C2)o1 96059130 AXNQPHROXZUWCW-HNNXBMFYSA-N 346.431 1.521 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3ccccn3)CC2)N1 96061470 KSVQCXVYPNQYOB-HNNXBMFYSA-N 336.395 1.755 0 40 EDAB CC[C@@H]1[C@H](C)CCN1S(=O)(=O)c1cnn(C)c1Br 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KXWQLTLROXXKHE-IBGZPJMESA-N 347.459 1.737 0 40 EDAB CN(C)Cc1nn(C)c2c1CCN(C(=O)c1ccc3c(c1)OCO3)C2 96084144 RMOUFCOLAKXRJD-UHFFFAOYSA-N 342.399 1.409 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CN(Cc3ccco3)[C@@H]3CCCO[C@H]23)cn1 96185919 STDUHLXEXAHHIH-BZUAXINKSA-N 330.388 1.175 0 40 EDAB CN(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3nccs3)C2)O1 96208367 SEZVCGHKMOPDPZ-XJKSGUPXSA-N 338.477 1.928 0 40 EDAB CN(C)C(=O)COC[C@H]1CC2(CCN(Cc3ccoc3)CC2)CO1 96105945 CYQCOPUUQLGDHQ-MRXNPFEDSA-N 336.432 1.756 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1cccnc1)C2)N1CCCC1 96108308 YKKBJOMAIKESRY-AEFFLSMTSA-N 330.432 1.335 0 40 EDAB COCCN1C[C@@H]2CN(C(=O)c3ccccc3)CCC[C@]2(C(=O)O)C1 96185183 NRDZKIPPGBVOAQ-APWZRJJASA-N 346.427 1.572 0 40 EDAB COc1ccc(CC(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1 96098758 QDIRBUZRBVCVTE-UHFFFAOYSA-N 329.404 1.798 0 40 EDAB c1ccc(CN2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)nc1 96052384 ATPDMWIPHMPXRB-QZTJIDSGSA-N 328.416 1.728 0 40 EDAB C[C@H]1[C@@H](NC(=O)c2ccc3nn[nH]c3n2)CCN1Cc1ccccc1 582673467 HQHFMJGTOWFWKQ-JSGCOSHPSA-N 336.399 1.746 0 40 EDAB CCN1CCN(c2ccc(C(=O)NC[C@@H](O)c3ccco3)cc2)CC1 96436075 YXUKIMQAHPPNAZ-QGZVFWFLSA-N 343.427 1.885 0 40 EDAB CN1Cc2cc3c(c(I)c2[C@@H](O)C1)OCO3 96171891 JGEXKQDYMLZXAE-ZETCQYMHSA-N 333.125 1.499 0 40 EDAB Cc1cnc(N2CCC[C@]3(C[C@H](Oc4ncccn4)CO3)C2)nc1 96222555 IXUULKUASZXHNM-YOEHRIQHSA-N 327.388 1.782 0 40 EDAB COC(=O)C[C@H](NC(C)=O)C(=O)N1CCOc2ccccc2[C@H]1C 585113937 FEXDKESZMRKMSY-RISCZKNCSA-N 334.372 1.036 0 40 EDAB Cc1ccc2nnc(CNS(=O)(=O)c3cccc4c3OCC4)n2c1 585114201 WAQMUYZXRVRLSH-UHFFFAOYSA-N 344.396 1.451 0 40 EDAB O=C(c1ccsc1)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 96239214 BBJYJKRAYGUYID-MRXNPFEDSA-N 328.397 1.807 0 40 EDAB CCOC[C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1cnn(C)c1 585655641 QZPIKJSMQVSQLM-IRXDYDNUSA-N 345.447 1.512 0 40 EDAB Cn1cccc1CN1CCC[C@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257337777 YUHPJTJKQUUOFP-CYBMUJFWSA-N 336.461 1.606 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)c3cc(CC(C)C)nn3C)CCO2)n1 257314703 UYCVVCWTPPSDPM-OAHLLOKOSA-N 331.420 1.864 0 40 EDAB Cc1cc(C)n(CCNC(=O)c2ccccc2-n2cc(CN)cn2)n1 257255271 KGVVMYBLPDSFPM-UHFFFAOYSA-N 338.415 1.574 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@H](c3nccnc3N(C)C)C2)cs1 257285957 PJOAZUKDSFWGNE-ZDUSSCGKSA-N 347.444 1.450 0 40 EDAB Nc1nonc1C(=O)N1CCCC[C@@H]2N[C@H](c3ccccc3)C[C@H]21 257271386 MYBCSJIKSOAAFX-MELADBBJSA-N 327.388 1.750 0 40 EDAB Cn1c(C(F)(F)F)nn(CC(=O)NCc2ccc(F)cc2)c1=O 85470749 GWSXEFOMRHIPSA-UHFFFAOYSA-N 332.257 1.056 0 40 EDAB CC(C)N1C(=O)CO[C@H]2CCN(Cc3ccccc3C(=O)O)CC[C@@H]21 257331161 XRQXDBKACMMOSO-IRXDYDNUSA-N 346.427 1.985 0 40 EDAB Cc1nccnc1CC[C@H]1COCCN1C(=O)CC1CCOCC1 257212918 CFKZRZPFDWIQNB-INIZCTEOSA-N 333.432 1.762 0 40 EDAB O=C(c1ccc(-n2ccnc2)nc1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257334793 YHKJLIHBHFLCOH-YOEHRIQHSA-N 328.372 1.023 0 40 EDAB Cc1ncccc1O[C@H]1CCN(C(=O)C2CCN(C)CC2)CC[C@@H]1O 257269890 MRVFUTCCMAVXOH-WMZOPIPTSA-N 347.459 1.463 0 40 EDAB Cc1cccc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)c1 257245791 IRCKAMBOFIGBNO-IAGOWNOFSA-N 341.363 1.958 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)CCc2ccnn2C)CCN1C 257297291 RGQZMGGJWIRDEO-KRWDZBQOSA-N 342.443 1.877 0 40 EDAB CN(C)c1cccc([C@@H]2CN(CC(=O)N3CCCCC3)CCO2)n1 257334384 YFRBJWWLUNSDGI-INIZCTEOSA-N 332.448 1.533 0 40 EDAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cnccn1 253473316 UDMQRBSIJGJMAR-NSHDSACASA-N 337.305 1.899 0 40 EDAB COc1ccc2c(N3C[C@@H](OC)[C@H](c4cnn[nH]4)C3)ncnc2c1F 591628397 CQHQYALVIRJYEY-GXFFZTMASA-N 344.350 1.514 0 40 EDAB COc1ccc2c(c1)C[C@H](C(=O)Nc1cc(C)nn1CC(=O)O)CO2 1615003100 DDZBVURARMYLKC-LBPRGKRZSA-N 345.355 1.475 0 40 EDAB C[C@H](NC(=O)C(F)(F)[C@H](O)c1ccccc1)[C@@H]1CN(C)CCN1C 1615586780 PDTMPFMZIOYVMX-AEGPPILISA-N 341.402 1.106 0 40 EDAB COCCCS(=O)(=O)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 1615631282 CKZLYKRTEURVHS-JISDDCRVSA-N 343.489 1.911 0 40 EDAB O=S(=O)(NCCn1nc(-c2ccccn2)cc1C1CC1)C1CC1 96121740 ZTPMLHSAEKULFR-UHFFFAOYSA-N 332.429 1.904 0 40 EDAB Cc1cc(N2CCOCC2)nc(CNC(=O)/C=C/c2ccccc2)n1 96120905 IGUPUKBFWJRRFR-BQYQJAHWSA-N 338.411 1.951 0 40 EDAB O=C1NCCN(Cc2ncccn2)[C@@H]1c1ccccc1Br 390833012 AONFIOICRZDYQJ-CQSZACIVSA-N 347.216 1.912 0 40 EDAB COc1ccc(C2=NO[C@@H](CNC(=O)CN3CCC[C@H]3C)C2)cc1F 390835616 SMOPNJJEUASXKH-TZMCWYRMSA-N 349.406 1.928 0 40 EDAB CN(C)c1nc(CNC(=O)Cc2ccccc2)nc(N2CCCC2)n1 575607472 UJRBPAJFEQYNEZ-UHFFFAOYSA-N 340.431 1.397 0 40 EDAB O=C(NC[C@@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1)c1ccncc1 575406677 ZRDBWCCHHLDNOL-AWEZNQCLSA-N 343.427 1.619 0 40 EDAB O=S1(=O)CC[C@H](COc2ncccn2)C12CN(Cc1ccoc1)C2 585104029 VJEVRZOVSKQOFA-CQSZACIVSA-N 349.412 1.138 0 40 EDAB CO[C@@]1(COc2ccc(C)cc2)CCCN(C(=O)CNC(C)=O)C1 585275170 YRTNTCRBMKYOID-SFHVURJKSA-N 334.416 1.518 0 40 EDAB CNc1ncc(CN2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)cn1 585279856 QXESEFLVCWAWQE-WBVHZDCISA-N 330.407 2.083 0 40 EDAB CCCc1n[nH]cc1C(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 585277658 OGDPXUCZSIIISI-LJQANCHMSA-N 343.427 1.808 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)/C=C/c1cnc[nH]1 585287911 HFNGSWSDJFJTSQ-MVWKGKBHSA-N 346.431 1.488 0 40 EDAB COCCN1C[C@@]2(COCCN(Cc3ccccc3C)C2)CC1=O 585104965 WPDORFUJZGDTQN-LJQANCHMSA-N 332.444 1.692 0 40 EDAB O=C(NCCOc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCNC1=O 69562630 GGCSUPDBLFNPAW-GFCCVEGCSA-N 345.321 1.662 0 40 EDAB CN(C)CCCN(CCCN(C)C)C(=O)c1ccnc(N(C)C)c1 69697030 WFYPXASFRNPRJS-UHFFFAOYSA-N 335.496 1.493 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69879820 AUVRMBFKEOXUQC-INIZCTEOSA-N 342.443 1.922 0 40 EDAB Cc1ccc(NC(=O)N2CCO[C@H](C(N)=O)C2)cc1C(F)(F)F 51587230 YFLWNRCZUWWDFQ-NSHDSACASA-N 331.294 1.732 0 40 EDAB COc1ccc(CSCC(=O)N[C@H]2CCCCNC2=O)cc1F 78555560 YVBXZUDCPGYHPV-ZDUSSCGKSA-N 340.420 1.852 0 40 EDAB CCc1c(C(=O)NCC2(C(N)=O)CCOCC2)cnn1C(C)(C)C 57010669 VNORRKAHXOXLLF-UHFFFAOYSA-N 336.436 1.212 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@](CO)(Cc3ccccc3)C2)cn1 1615192830 YGPPZNKVDTXYGZ-LJQANCHMSA-N 326.396 1.836 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2c(=O)[nH]c(N)nc2[nH]1 12562613 MJPORAGRHDSKLC-YUMQZZPRSA-N 336.421 1.015 0 40 EDAB c1ccc2c(c1)nc1n2CN(n2cnnc2)CN1C[C@H]1CCCO1 13633957 CREYUQFZEDVFIZ-CYBMUJFWSA-N 325.376 1.180 0 40 EDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NC2CCCC2)cc1 16322300 BZEJANYEHLKFDI-NSHDSACASA-N 326.418 1.421 0 40 EDAB CC(=O)NCCn1nc([C@H]2CCN(C(=O)C(C)C)C2)c2cccnc21 19085140 SKJXZPCLATZJIO-AWEZNQCLSA-N 343.431 1.539 0 40 EDAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cnc(N2CCCCC2)nc1 19576024 MRBIULBTMNMENR-USXIJHARSA-N 331.464 1.106 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NC[C@@H]1CCCOC1 19576209 QJERQAMBAUMZLB-OPRWKUAOSA-N 342.395 1.617 0 40 EDAB CCOc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1 206723183 DZSXGNJMQSBFNL-UHFFFAOYSA-N 336.417 1.420 0 40 EDAB O=C(O[C@H]1CCOC1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575615325 CZFFGZBPPVKSHM-AAEUAGOBSA-N 345.442 1.835 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 30953631 YXAXURZDCGZRPJ-HNNXBMFYSA-N 334.397 1.749 0 40 EDAB O=C1C=CN[C@@H]([C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)N1 33374217 KNHIOYRLOJIHEO-GHMZBOCLSA-N 348.617 1.714 0 40 EDAB COc1cccc(S(=O)(=O)NC2CN(c3nnc(C)s3)C2)c1 1888873361 OZEJMUGGDMKREB-UHFFFAOYSA-N 340.430 1.022 0 40 EDAB Cc1nc2c(c(N3CCN(c4ncnc5[nH]cnc45)CC3)n1)CCC2 1888906656 DKMJZZDFYNEZKI-UHFFFAOYSA-N 336.403 1.267 0 40 EDAB c1cc2c(N3CC[C@@H](COc4ccc5nccn5n4)C3)ncnc2cn1 2087061351 QVDZPBPRQCMYLG-CYBMUJFWSA-N 347.382 1.973 0 40 EDAB Cc1cnc(C)c(OC2CCN(Cc3nnc4n3CCC4)CC2)n1 2087122774 ZJYZTLVMYGUOSX-UHFFFAOYSA-N 328.420 1.675 0 40 EDAB CCOC(=O)C1CCN(C[C@H](O)COc2ccc(C(C)=O)cc2)CC1 4192349 DBXLXDLXXNZHCO-KRWDZBQOSA-N 349.427 1.904 0 40 EDAB aggregator Nn1c(SCC(=O)Nc2cccc3ccccc23)nncc1=O 4338035 CSSAJRRSJQNLEG-UHFFFAOYSA-N 327.369 1.236 0 40 EDAB CN1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)C(C)(C)C)C2 2055814243 XFFOEQYIZFRKGU-GOSISDBHSA-N 330.432 1.377 0 40 EDAB O=C(c1ccccn1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 575613688 KDYWOQXILVCCLU-UHFFFAOYSA-N 337.305 1.853 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(c3cnsn3)CC2)cc1C 585148843 KNFXMSSDMIYKKO-UHFFFAOYSA-N 338.458 1.666 0 40 EDAB Cn1cccc(C(=O)NC[C@@H](O)c2ccc3c(ccn3C)c2)c1=O 245131226 VJSXRQNEPCRZCR-MRXNPFEDSA-N 325.368 1.340 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCC(C(=O)Nc2ccncc2)CC1 31374659 VHKJRNQJXHVUTC-DOMZBBRYSA-N 344.415 1.031 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 31402432 RQNYHMMWLZTJGF-NWDGAFQWSA-N 348.353 1.719 0 40 EDAB CC[C@H](C)OC(=O)[C@H](C)n1cnc2sc(C(N)=O)c(C)c2c1=O 150448 ASENHCMQVVMCCO-CBAPKCEASA-N 337.401 1.768 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)c3c(C)noc3C)cn2)CC1 40541129 IUKLSHPBBNDHTH-UHFFFAOYSA-N 343.431 1.758 0 40 EDAB Cc1nn(C)cc1C1=NO[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 101343622 DYIUTIGOPBOTGM-OCCSQVGLSA-N 344.758 1.674 0 40 EDAB COC(=O)c1ccc([C@@H]2C=C(C(=O)O)Nc3nc(SC)nn32)cc1 101446992 SUNGOSCPSSIAQW-NSHDSACASA-N 346.368 1.770 0 40 EDAB COCCCN1C(=O)NC(=O)/C(=C(O)\C=C\c2ccncc2)C1=O 101410383 VRDUXWICFSYHLL-JPLZDGERSA-N 331.328 1.022 0 40 EDAB CN(C)c1ncccc1CNS(=O)(=O)c1ccc(F)cc1F 32437906 WFESIHNJXWQYLK-UHFFFAOYSA-N 327.356 1.904 0 40 EDAB CN(C)C(=O)CN1C(=O)[C@@H]2CCc3[nH]c4ccccc4c3[C@@H]2C1=O 104612499 WENJLFXQUOXWAM-BDJLRTHQSA-N 325.368 1.271 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)Cn1cc(Br)ccc1=O 42536195 KQALDEBFUALXCE-JTQLQIEISA-N 339.193 1.012 0 40 EDAB Cn1c(=O)c2c3c(sc2n2c(SCC(N)=O)nnc12)CCCC3 85507 DEDSKFHMCKNMFT-UHFFFAOYSA-N 349.441 1.099 0 40 EDAB O=C(CCn1cccn1)N1CCC[C@H]1c1nnc2n1CCCCC2 42749634 PNSPAJGGYXLPMP-AWEZNQCLSA-N 328.420 1.955 0 40 EDAB COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(O)c(OC)c1 223143 IIPNSHZZNSMJKY-UHFFFAOYSA-N 333.340 1.544 0 40 EDAB O=C(c1ccc(O)nn1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24135030 YITUORDEQHVMEF-UHFFFAOYSA-N 340.383 1.075 0 40 EDAB C[C@@H]1COCCN1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 43099814 BAPJXMIEOXVCBV-KGLIPLIRSA-N 339.461 1.552 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=O)c2cccc3cn[nH]c23)cc1 43083079 UXJHOXGIXSQRKS-UHFFFAOYSA-N 329.381 1.896 0 40 EDAB C[S@](=O)c1ncn(C[C@@H](O)COc2cccc(C(F)(F)F)c2)n1 95438968 IIHMLMYXUPKUAP-DJNLSKAYSA-N 349.334 1.474 0 40 EDAB COC[C@H]1CCN(S(=O)(=O)N2CCC[C@@H]2c2ccc(C)o2)C1 78881010 LOXOSSDKMOTVQI-UONOGXRCSA-N 328.434 1.938 0 40 EDAB CC(C)(CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(N)=O 79504036 AUPOQAYMTBTMMQ-OAHLLOKOSA-N 332.448 1.462 0 40 EDAB Cn1c(SCC(=O)O)nnc1[C@H]1CCC(=O)N1Cc1ccccc1 1610172 VKFRMYSXAJHJQR-GFCCVEGCSA-N 346.412 1.856 0 40 EDAB CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O 4713656 IXSNPCNZNIGQSE-CHWSQXEVSA-N 343.468 1.942 0 40 EDAB CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CCC(C)CC1 26370087 KLINKEOXBYBNNH-BPCQOVAHSA-N 336.523 1.742 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1OC 8476009 CLJUWFIFLVLENX-UHFFFAOYSA-N 338.360 1.995 0 40 EDAB O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(-n2cccc2)c(F)c1 95442329 KRXYPDQAQNXPKO-OAHLLOKOSA-N 347.390 1.039 0 40 EDAB CCN1C[C@H](C(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1=O 57361615 DGYKQPZIVPNLEL-CQSZACIVSA-N 348.418 1.859 0 40 EDAB COc1ccc(N[C@@H](C)C(=O)N2CCOCC2)cc1N1CCCC1=O 57919516 PMBPNXOCIPKNFW-ZDUSSCGKSA-N 347.415 1.481 0 40 EDAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCCNC2=O)c1 58192425 ADMCOHPEAJIRDY-MRXNPFEDSA-N 343.383 1.879 0 40 EDAB COc1ccc(C(=O)N2CCOCC2)cc1NCc1nc(C)no1 58194529 QTTSHPVAVMELQB-UHFFFAOYSA-N 332.360 1.471 0 40 EDAB O=C(NC[C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 44890976 QPZXYEJPUYVBBH-OAHLLOKOSA-N 347.415 1.422 0 40 EDAB Cc1ccc(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)nc1 44896056 IRGZEGFJRBCXKU-CYBMUJFWSA-N 328.294 1.902 0 40 EDAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1S(C)(=O)=O 9748206 CTBAVPFVATYQOO-LLVKDONJSA-N 332.809 1.711 0 40 EDAB COc1ncccc1CNC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@H](C)C1 58218508 KRFQYHLRLVLTNM-LZWOXQAQSA-N 335.448 1.840 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCOCC2)c2cccnc12 44933989 DSYMNAWIPBXMTE-CQSZACIVSA-N 349.456 1.542 0 40 EDAB Cc1csc(=O)n1CCC(=O)NCCN1C[C@@H](C)C[C@H](C)C1 44940239 GMSBGMUDXNCKCS-STQMWFEESA-N 325.478 1.702 0 40 EDAB C[C@@H](NC(=O)N[C@@H]1CCCCNC1=O)c1ccc2c(c1)OCCCO2 44968086 BPZJLZMPCCGCBW-TZMCWYRMSA-N 347.415 1.877 0 40 EDAB COc1ccc(OC)c(N2C[C@@H](C(=O)N3CCO[C@H](C)C3)CC2=O)c1 44908718 WZGFRDMSFWGULK-OLZOCXBDSA-N 348.399 1.304 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCO[C@H]2CCCC[C@H]2C)o1 44943748 ZIVNPRZXFSKSKF-NEPJUHHUSA-N 344.433 1.513 0 40 EDAB Cc1c(CCC(=O)NCCCC(=O)O)c(=O)oc2cc(O)ccc12 2155379 LCALZOVLJCVOJH-UHFFFAOYSA-N 333.340 1.721 0 40 EDAB biogenic c1ccc(CN2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)nc1 107194817 MFTYQFCHHHTKNR-OALUTQOASA-N 347.459 1.164 0 40 EDAB O=C(NCCOc1ccc(F)cc1)N1CCN(c2cnccn2)CC1 28996808 AYGVNDPFXOYAJL-UHFFFAOYSA-N 345.378 1.526 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)[C@@H]1CCCN(c2cnccn2)C1 45886851 JMQDVISJHBUQST-CVEARBPZSA-N 326.400 1.543 0 40 EDAB O=C(CNCCN1CCOCC1)Nc1ccc(N2CCCCC2)cc1 57698796 YVBHMUZSYSXUBQ-UHFFFAOYSA-N 346.475 1.537 0 40 EDAB COc1ccc(C(=O)N2CCN(Cc3nc(C4CC4)no3)CC2)cc1 29532353 DORNGRKTHDHEPI-UHFFFAOYSA-N 342.399 1.914 0 40 EDAB CCC(CO)(CO)NC[C@@H](O)COc1c(Cl)cccc1Cl 2622356 WCSDQAZPVJYBHR-SNVBAGLBSA-N 338.231 1.456 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(C(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 103335510 PTSYEASAIZWFBC-KBXIAJHMSA-N 337.489 1.373 0 40 EDAB COCCN1CCN(C(=O)COc2ccc(Cl)c(C)c2)CC1=O 95454095 MPOVXNGDCHYVJE-UHFFFAOYSA-N 340.807 1.344 0 40 EDAB COCCOCCCNS(=O)(=O)c1c(C)cc(OC)cc1C 47462371 BMAWTDICQMCZQL-UHFFFAOYSA-N 331.434 1.643 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)NCCC2=CCCCC2)C1 48276648 DVRPUYQOONTKIG-AWEZNQCLSA-N 329.466 1.600 0 40 EDAB CC(C)(C)n1cc(C(=O)N2CCN(Cc3cccnc3)CC2)cn1 48367193 SYCRKELRIYYUBF-UHFFFAOYSA-N 327.432 1.991 0 40 EDAB Ic1cccc(Oc2ccc3nnnn3n2)c1 12813977 IJBPNHNFKAQMCK-UHFFFAOYSA-N 339.096 1.916 0 40 EDAB O=C(CSc1nc2ccccc2o1)N[C@@H]1CCS(=O)(=O)C1 3530699 UZUBFEQBYXFGMN-SECBINFHSA-N 326.399 1.223 0 40 EDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(O)nc2)cc1OC 13257105 MXQGAHJVMLCAID-LBPRGKRZSA-N 346.339 1.750 0 40 EDAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(C(N)=O)cc1 6290406 ACIYEEGEZYNRSP-QGZVFWFLSA-N 340.379 1.481 0 40 EDAB NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 14098071 NALZGZRSZGWBEN-ZDUSSCGKSA-N 326.324 1.470 0 40 EDAB CNC(=O)CN1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 65594589 PCPCGEYGUBIILX-CVEARBPZSA-N 349.862 1.770 0 40 EDAB Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c1 65623371 MPQQFTXJHOQIMH-CYBMUJFWSA-N 349.406 1.836 0 40 EDAB O=C(NCC(=O)N1CCCCC1)c1cccnc1Br 95411185 UVVLZWQZXLCZAL-UHFFFAOYSA-N 326.194 1.586 0 40 EDAB COc1cccc(CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 4741034 KBNDGVRAPCORLM-UHFFFAOYSA-N 342.351 1.357 0 40 EDAB CCc1c(C(=O)N2CC[C@@H](C(N)=O)C2)nnn1-c1cccc(Cl)c1 67137762 WNAPPRUEQDWNHH-SNVBAGLBSA-N 347.806 1.431 0 40 EDAB CC(C)[C@H]1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccccc1 4985968 BQSKGRXMXLSKGM-AWEZNQCLSA-N 325.434 1.657 0 40 EDAB Cn1cc(-c2cnc3n2C[C@H]2CN(Cc4ccccn4)C[C@@H]2C3)cn1 306139060 SOHKUPKMVOUKHZ-GOEBONIOSA-N 334.427 1.983 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)Cn2c(=O)sc3ccccc32)C1 80613954 SGCLFUDLLURBOT-LBPRGKRZSA-N 333.413 1.190 0 40 EDAB COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)NC(N)=O 7696666 RTPJNVBFNPYFDO-MRVPVSSYSA-N 344.209 1.473 0 40 EDAB Cc1cc(O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 16222797 SKNBYDQBTHNQLC-GHMZBOCLSA-N 331.821 1.719 0 40 EDAB CN(C)S(=O)(=O)c1cccc(Cn2c(=O)cnc3ccccc32)c1 9594209 DKEPGCUHTXYSHV-UHFFFAOYSA-N 343.408 1.695 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc(C)n(C3CC3)c2C)CC1 71882003 IICHBXUFDGEYQS-QGZVFWFLSA-N 349.475 1.595 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCN(c2cccnn2)CC1 70038708 YPMMOQYCZRBHAW-GJZGRUSLSA-N 334.420 1.099 0 40 EDAB Cn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1C1CC1 8325236 YKGAEOGFOYYVHQ-UHFFFAOYSA-N 344.400 1.593 0 40 EDAB CC(C)(C)NC(=O)COc1ccc(CNCCN2CCOCC2)cc1 22075851 UHZCVMFQUQUAAA-UHFFFAOYSA-N 349.475 1.402 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)CN2CCCC2=O)c(OC)c1 71846893 JADJSIAEJRWQMM-HNNXBMFYSA-N 332.400 1.990 0 40 EDAB CC1CCC(NS(=O)(=O)CC(=O)NCC(C)(C)CN(C)C)CC1 69438329 BBTFHKAKJLJBQQ-UHFFFAOYSA-N 347.525 1.189 0 40 EDAB CC(=O)N1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 69517354 WHRDDUUZGYVETG-CQSZACIVSA-N 327.222 1.647 0 40 EDAB CC(C)[C@@H](C(=O)N1CCN(Cc2ccncc2)CC1)N1CCCC1=O 69584522 ZCGLSZFQBUHZPN-SFHVURJKSA-N 344.459 1.373 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 69704009 WJDJKUAYFICKKC-OLZOCXBDSA-N 343.431 1.977 0 40 EDAB COc1cc(-c2noc(CNS(C)(=O)=O)n2)ccc1OC(F)F 69707257 VKUYTZHSZHQCLO-UHFFFAOYSA-N 349.315 1.396 0 40 EDAB CN(C1CCN(c2ccccn2)CC1)S(=O)(=O)c1cn(C)cn1 69740837 KCTKEKBHSSKOTN-UHFFFAOYSA-N 335.433 1.105 0 40 EDAB O[C@H](CN[C@H]1CCc2ncnn2C1)COCc1ccc(Cl)cc1 69742741 CKSMQRVOXJNXNN-LSDHHAIUSA-N 336.823 1.414 0 40 EDAB COc1cccc(Cc2nnc(NC(=O)[C@H]3CCC(=O)N3)s2)c1 69812913 XOTGQHHSAOZYKG-LLVKDONJSA-N 332.385 1.355 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3cc(C(C)=O)c[nH]3)CC2)no1 69894450 XYVVZIQEVQOZBK-UHFFFAOYSA-N 331.376 1.121 0 40 EDAB Cc1cn2cc(NC(=O)Cc3ccc(S(N)(=O)=O)cc3)ccc2n1 69811282 IGPCCSVGCFABIJ-UHFFFAOYSA-N 344.396 1.471 0 40 EDAB CCCCn1c(S[C@H](C)c2nc(N)nc(N(C)C)n2)n[nH]c1=O 8980797 ZGRZYFKETYNFLN-MRVPVSSYSA-N 338.441 1.058 0 40 EDAB C[C@@H](Cc1ccsc1)N1CCN(CC(=O)N2CCOCC2)CC1 97084257 YFUXZRXQLFDRKU-HNNXBMFYSA-N 337.489 1.156 0 40 EDAB CCN1CCN(CCC(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)CC1 73934011 LKRFIEWVPPTPGW-UHFFFAOYSA-N 346.475 1.663 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)[C@H]1CCCN(c2nccs2)C1 72240557 RLOPEMBERRVDPE-STQMWFEESA-N 331.445 1.687 0 40 EDAB Cc1cc2ncn(C[C@H](O)CN3CCn4c(C)nnc4C3)c2cc1C 72253004 KVDBTFKZMJKJKJ-OAHLLOKOSA-N 340.431 1.430 0 40 EDAB CCN(C(=O)c1ccc2c(c1)N(C)CC2)[C@H](C)CS(=O)(=O)CC 97108911 YVEAVXSNWJEWTN-CYBMUJFWSA-N 338.473 1.964 0 40 EDAB O=C(NCCCc1n[nH]c(=O)[nH]1)c1c(F)cccc1Br 84339008 AQOODIRVWCDFFN-UHFFFAOYSA-N 343.156 1.362 0 40 EDAB Cc1cc(C)c(C)c(OCCCNC(=O)CN2CCC(=O)NC2=O)c1 95394660 ICXOKMHYTBNECF-UHFFFAOYSA-N 347.415 1.439 0 40 EDAB Cc1noc(CCN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)n1 89518565 NYIWHJNFWAEDRZ-SECBINFHSA-N 327.381 1.814 0 40 EDAB CN1CCN(C2CCN(Cc3nc(-c4cccnc4)no3)CC2)C1=O 75132914 PNVWDIGOUUWKQO-UHFFFAOYSA-N 342.403 1.463 0 40 EDAB CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)CC[C@H]2CCCO2)c1 75144295 ZVYGCXSNPAIUKL-LLVKDONJSA-N 344.408 1.974 0 40 EDAB Cc1cccc2c(=O)n(CCC(=O)N3C[C@@H](N(C)C)[C@H](C)C3)cnc12 76051058 GMHUHRGRKONDKG-GDBMZVCRSA-N 342.443 1.504 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@H]1N1CCOCC1 76053229 CYSQCAYWCAWIIY-GDBMZVCRSA-N 344.415 1.317 0 40 EDAB O=C(CN1CC[C@@H](Cc2ccc(F)cc2)C1)NCC(=O)N1CCCC1 76806748 NLZYELXCZDUXCD-INIZCTEOSA-N 347.434 1.429 0 40 EDAB CN(Cc1ccccc1)[C@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC1CCCCC1 20465967 BPYPSUMKVAVXIG-IYWMVGAKSA-N 348.487 1.530 0 40 EDAB biogenic,in-vitro O=C1CO[C@H]2CN(c3ncccn3)C[C@H]2N1Cc1ccc(F)cc1 67897376 FDHAHRCAIWBQRM-CABCVRRESA-N 328.347 1.232 0 40 EDAB biogenic,in-vitro Cc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c2c(C)n[nH]c2n1 551689787 RRSIHRDGMJOXKS-DOMZBBRYSA-N 327.388 1.362 0 40 EDAB CNCC(=O)N1CCC[C@@H]1c1cc(Nc2ccccn2)nc(C)n1 72360919 QYAACCMBILSHHZ-CQSZACIVSA-N 326.404 1.807 0 40 EDAB O=C1CC[C@@H](C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)N1 38735800 YUDQTFQQUOOMEB-LBPRGKRZSA-N 328.397 1.873 0 40 EDAB CCC[C@@H](C)Nc1ccc(S(=O)(=O)NCCO)cc1C(=O)O 217591758 SVUAMGNGVIRTEC-SNVBAGLBSA-N 330.406 1.256 0 40 EDAB CN1CCN([C@@H](C(=O)O)c2cn(C)c3ccc(C(=O)O)cc23)CC1 36353626 UQYGWVZOCKLYFG-OAHLLOKOSA-N 331.372 1.250 0 40 EDAB CCOc1ccc(-c2cc(C(=O)Nc3nnn[nH]3)no2)cc1OCC 36626589 JJCMCNOIMANGIO-UHFFFAOYSA-N 344.331 1.904 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NC[C@@](C)(O)c1ccco1 75156335 DKNPYSFALMNIEA-CYBMUJFWSA-N 345.398 1.314 0 40 EDAB CC(C)[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccc(=O)[nH]n1 72324369 MQYUPTVCTOEZKL-GFCCVEGCSA-N 342.355 1.132 0 40 EDAB Cc1cc(C(=O)Nc2ccc(CCN3CCC(O)CC3)cc2)[nH]n1 75416091 FHCQGJKPTGJQFU-UHFFFAOYSA-N 328.416 1.970 0 40 EDAB C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)N2CCS(=O)(=O)CC2)C1 78446805 VHURUBPHWJOVAV-ZIAGYGMSSA-N 345.509 1.183 0 40 EDAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(OCC(N)=O)c(Cl)c1 226687952 HRQKBNSZUFBEFD-SNVBAGLBSA-N 346.836 1.767 0 40 EDAB COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NCc1cccnc1 227151029 XZRVNHDKYSYCMI-UHFFFAOYSA-N 349.412 1.271 0 40 EDAB COCCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 225694187 GXZAOODMMDKARG-UHFFFAOYSA-N 332.447 1.682 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@H](C)Nc2ncnc3c2cnn3C)cc1 195567238 QPFWHCLMXFDNKB-LBPRGKRZSA-N 345.428 1.946 0 40 EDAB Cc1cnc(NC(=O)[C@@H]2COCC(=O)N2Cc2cccs2)s1 85472622 WAPBBKCPBDYBHY-NSHDSACASA-N 337.426 1.879 0 40 EDAB CCc1nnc2sc(-c3ccc(OCC(=O)O)c(OC)c3)nn12 226298360 CFLPPUBSOCRHFT-UHFFFAOYSA-N 334.357 1.887 0 40 EDAB COCCCNC(=O)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 223392913 GOMHISUVHPIFAX-INIZCTEOSA-N 329.400 1.812 0 40 EDAB CC1CCN(c2ccc3ccc(C(=O)NCC(=O)N(C)C)cn23)CC1 96146136 NHWXRBHHFNVEHS-UHFFFAOYSA-N 342.443 1.994 0 40 EDAB O=C(CCCn1cncn1)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 96456006 QNIHPBKDHXVICU-CQSZACIVSA-N 347.806 1.633 0 40 EDAB COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccccc3F)C[C@H]2C1 96245461 RABHZDVKGUUOHM-GJZGRUSLSA-N 334.391 1.669 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(CC1CCOCC1)C2)c1ccccc1 96108501 AIYKNNIDLDGZAV-QUCCMNQESA-N 344.455 1.791 0 40 EDAB O=C(N1CCCC1)N1CCC[C@@]2(COCCN(c3cnccn3)C2)C1 96049658 CXKUABCPECUVGB-SFHVURJKSA-N 345.447 1.611 0 40 EDAB CCN1C[C@H](COCC2CC2)[C@]2(CCN(C(=O)c3ccncn3)C2)C1 96218150 MKPUAALUCCNXMD-VQIMIIECSA-N 344.459 1.687 0 40 EDAB CN(C)C(=O)COC[C@@H]1c2c(ncn2C)CCN1Cc1nccs1 96187717 RGCJISKFVNRPPI-CYBMUJFWSA-N 349.460 1.081 0 40 EDAB O=C1CO[C@@]2(COCCN(Cc3ccoc3)C2)CN1c1ccoc1 96051392 DHRTYEISIZZWMB-QGZVFWFLSA-N 332.356 1.507 0 40 EDAB CN(C)C(=O)CN1C(=O)CCC12CCN(Cc1cccn1C)CC2 96228095 IPYBCBGVVDRXKY-UHFFFAOYSA-N 332.448 1.070 0 40 EDAB COC[C@H]1CN(S(=O)(=O)Cc2ccccc2)Cc2cn(C)nc21 96068283 SORIKMFUVLDLRQ-OAHLLOKOSA-N 335.429 1.496 0 40 EDAB Cc1cc(CN2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@H]3C2)no1 96066311 VHXXGJZLXKRWSE-XKQJLSEDSA-N 342.399 1.996 0 40 EDAB CC(C)NC(=O)N1CCN(Cc2ccoc2)C[C@]2(CC(=O)N(C)C2)C1 96036090 IAPCTYDUXNFNHV-GOSISDBHSA-N 348.447 1.364 0 40 EDAB CC[C@@H]1c2ccsc2CCN1C(=O)Cn1nc(CO)c(=O)cc1C 330117857 XOIXADFHYRBVDD-CQSZACIVSA-N 347.440 1.642 0 40 EDAB CC(=O)NCCCS(=O)(=O)c1nc(C)c(C)n1C1CCCC1 96485836 XXVACEUYFWGSER-UHFFFAOYSA-N 327.450 1.915 0 40 EDAB C[C@H]1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cnccn1)CC2 96201582 KFYHVYMNUBYQTE-CYBMUJFWSA-N 344.415 1.109 0 40 EDAB CCc1ccc2occ(C(=O)N3CCC(O)(c4nn[nH]n4)CC3)c2c1 585086089 VIXTVSPPQKRKHI-UHFFFAOYSA-N 341.371 1.632 0 40 EDAB O=C(c1cnccn1)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107536 MJDJQNFULMPFOV-KSSFIOAISA-N 340.383 1.714 0 40 EDAB Cc1cnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nc1C 96486650 PTXQTRWZTYTSCD-OAHLLOKOSA-N 331.464 1.663 0 40 EDAB O=C(O)[C@H]1CN(C(=O)Nc2ccnc(Cc3ccccc3)n2)CCO1 1594947898 BPWCNZHAMBLLOG-CYBMUJFWSA-N 342.355 1.385 0 40 EDAB CN1CCN(S(=O)(=O)c2cn(C)cn2)c2ccc(Cl)cc21 585123477 HJZSPGMIRIBOFT-UHFFFAOYSA-N 326.809 1.719 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 585141700 XDHOVDINGXVAOU-JTQLQIEISA-N 344.337 1.807 0 40 EDAB O=S(=O)(c1ncc[nH]1)N1CCC[C@@H](Cn2cnc3ccccc32)C1 585139388 SGGKBCRPUPHZRZ-ZDUSSCGKSA-N 345.428 1.860 0 40 EDAB COc1cncc(CNC(=O)CCOc2ccc(C=O)cc2OC)c1 585127627 FRFVJTBBJRPERS-UHFFFAOYSA-N 344.367 1.997 0 40 EDAB O=C(c1ncccn1)N1CC2(C[C@H](Oc3cccnc3)CCO2)C1 247844123 GKFNHYAIKJHBST-CYBMUJFWSA-N 326.356 1.324 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCc2cc(C)n(C)n2)cc1C 244914736 BBAXPAFDZJBVOH-UHFFFAOYSA-N 337.445 1.957 0 40 EDAB CC(C)CN1CCN2[C@@H](C1)CN(Cc1ccccc1)C[C@@]2(C)CO 253398475 HFYVPOSVWVBQOC-PMACEKPBSA-N 331.504 1.895 0 40 EDAB biogenic,in-vitro C[C@H](c1nc2ccccc2s1)N1CCN(CC(=O)NC(N)=O)CC1 26887682 AAJUTAFABQBWNJ-LLVKDONJSA-N 347.444 1.170 0 40 EDAB C[C@]12CCN(S(C)(=O)=O)[C@H]1CCC(=O)N2Cc1ccccc1F 257214416 CLXAGIGBLZMYCS-HOCLYGCPSA-N 340.420 1.741 0 40 EDAB C[C@@](O)(CCc1ccccc1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 252479504 BGPJFLLENZSOEI-CABCVRRESA-N 331.334 1.896 0 40 EDAB O=C(c1cc2ccccc2s1)N1CC[C@](O)(CN2CCOCC2)C1 257344252 ZWHIDIPIAAEGEO-SFHVURJKSA-N 346.452 1.811 0 40 EDAB CN1CCC[C@@H]1CCNC(=O)c1ccccc1-n1cnc(CN)c1 257308121 TVMDDPWSUADSDC-OAHLLOKOSA-N 327.432 1.545 0 40 EDAB O=C1CO[C@@H]2CN(Cc3cncs3)C[C@H]2N1Cc1ccccc1 257336974 YQWBHHRQRAJIKY-HZPDHXFCSA-N 329.425 1.755 0 40 EDAB CCc1nccn1CC(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 257293946 QRUUKYVTIIORKI-VQIMIIECSA-N 343.427 1.876 0 40 EDAB C[C@]1(C(=O)Nc2cccc(-n3cc(C(=O)O)nn3)c2)CCCOC1 263524065 IUSWRTFHBPOXGC-INIZCTEOSA-N 330.344 1.721 0 40 EDAB Cn1nc2c(c1S(=O)(=O)N1CCCC[C@H]1CC(=O)O)CCCC2 634653539 YFXVRZCARGGHOT-NSHDSACASA-N 341.433 1.317 0 40 EDAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCc1cccnc1 36602061 RCEORHYVFWSKMW-OAHLLOKOSA-N 338.367 1.229 0 40 EDAB biogenic CCNc1ncc(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)cc1Cl 1615623800 QYDZWCSAHNUWNH-CQSZACIVSA-N 345.852 1.968 0 40 EDAB COCCn1cc(CNCc2c(C)cc(C)cc2C)c(O)nc1=O 1616033310 NHEUXJGZVUCQQK-UHFFFAOYSA-N 331.416 1.810 0 40 EDAB O=C(Cn1cccc1)N1CCC(n2nnc3ccsc3c2=O)CC1 390830525 LOZIOBBVOWQSIN-UHFFFAOYSA-N 343.412 1.518 0 40 EDAB CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 575425118 XRLGQBBFQHSKPT-HNNXBMFYSA-N 345.486 1.891 0 40 EDAB Cc1ccc(N2C[C@]3(CCN(C(=O)[C@H]4[C@H]5COC[C@H]54)C3)CC2=O)cc1 585101584 UAAVKJFWWQEZCZ-YNVMFWSZSA-N 340.423 1.843 0 40 EDAB CO[C@@H]1CCN(Cc2cncc(C)c2)C[C@H]1CC(=O)N1CCOCC1 585275485 CRLLBQQCZZJFEW-QZTJIDSGSA-N 347.459 1.476 0 40 EDAB CO[C@@H]1CN(C(=O)CN2CCCC2=O)CC[C@@H]1Cc1ccc(F)cc1 585278265 AWASPGJVZPQWES-NVXWUHKLSA-N 348.418 1.854 0 40 EDAB O=S(=O)(c1ccc(CN2CCCC[C@H]2CCO)o1)N1CCCC1 69250021 XGRNPHQYBHVLHL-AWEZNQCLSA-N 342.461 1.801 0 40 EDAB COc1cccc(-c2n[nH]cc2CNCC2CCN(CCO)CC2)c1 69418335 DNBCUAXSQFPCJX-UHFFFAOYSA-N 344.459 1.879 0 40 EDAB COc1cc(CNC(=O)Nc2c[nH]ccc2=O)cc(OC)c1OC 69508868 BMCPPTRTMMUZBC-UHFFFAOYSA-N 333.344 1.722 0 40 EDAB O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC[C@H](n2ccnc2)C1 69656486 AZYZYVULCHGRGO-HOCLYGCPSA-N 330.432 1.838 0 40 EDAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(C[C@H](C)O)CC3)c12 69876170 HRKHTOFVSGSJGW-NSHDSACASA-N 344.415 1.547 0 40 EDAB C[C@@H]1SCCN(Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1 71911171 WOJAFUVMEFZWAJ-GUYCJALGSA-N 345.468 1.763 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1c1nc(N(C)C)cc(C(F)(F)F)n1 72237815 KYGIPMZYNCLBLS-VIFPVBQESA-N 331.342 1.618 0 40 EDAB CNC(=O)CCc1cc([C@@H]2CCCN(c3cnccn3)C2)nc(C)n1 72367020 MIOGYCVUPYNTHH-CQSZACIVSA-N 340.431 1.638 0 40 EDAB CCN(C)S(=O)(=O)c1c(C)nn(C[C@H](O)C(F)(F)F)c1C 158355773 WVWOEERZPMPIKS-VIFPVBQESA-N 329.344 1.064 0 40 EDAB CC(C)N(C)CC(=O)N1CCN(c2nncc3ccccc23)CC1 73102141 QBLNQACSIYVLIO-UHFFFAOYSA-N 327.432 1.619 0 40 EDAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccc[nH]c1=O 55624489 FXBITYNMCHWZQU-UHFFFAOYSA-N 335.363 1.515 0 40 EDAB CCc1ccc([C@@H](CNc2nc3c(cnn3C)c(=O)[nH]2)N(C)C)cc1 60381205 CWJOQJKXBNRRAL-OAHLLOKOSA-N 340.431 1.934 0 40 EDAB Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)C1 75161556 PUHNKHOXDZWMJT-LLVKDONJSA-N 328.821 1.690 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CC[C@H](Oc2cnsn2)C1 675007971 IHPVYZJQXKZQNZ-GWCFXTLKSA-N 333.369 1.358 0 40 EDAB CCNC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1 97011547 YRSISWNOOUMPEU-UHFFFAOYSA-N 341.415 1.872 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(c2nnc(-c3ccc(O)cc3)s2)C1 585132952 JGOPOCKJTBTJRY-JTQLQIEISA-N 340.430 1.039 0 40 EDAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@H]1CCc2nncn2C1 551321390 MGETYLITHPQHDZ-QMMMGPOBSA-N 345.350 1.974 0 40 EDAB CN1CCO[C@@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 106666536 PUBFMGYUUHVNQJ-CABCVRRESA-N 328.840 1.138 0 40 EDAB COc1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 5488814 HFCSAZOYXDNRCC-PWSUYJOCSA-N 328.415 1.357 0 40 EDAB COc1ccccc1-c1cc(C(=O)NC[C@@H](C)n2cncn2)no1 12201488 BUXFLFQQNOXQJO-LLVKDONJSA-N 327.344 1.933 0 40 EDAB O=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)[C@@H]1CCCO1 12326143 DAJHBMOQLNEMEZ-INIZCTEOSA-N 336.407 1.404 0 40 EDAB COCC(=O)N[C@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 12326264 KIJCSEWYWZKMNI-KSSFIOAISA-N 332.400 1.654 0 40 EDAB O=C(Cn1cncn1)N1CCC(c2noc(-c3ccccn3)n2)CC1 12668854 ZMGUEMLURZFTHQ-UHFFFAOYSA-N 339.359 1.129 0 40 EDAB CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 16610197 IEPPBUWYKXFIDJ-SNVBAGLBSA-N 348.852 1.884 0 40 EDAB CN1CCc2c(O)nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)nc2C1 19590729 GOQYYBBXSXCCHW-OAHLLOKOSA-N 346.431 1.055 0 40 EDAB Cc1noc(C)c1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 19746165 QSDHLSGYZXHTIR-UHFFFAOYSA-N 331.376 1.799 0 40 EDAB CC[C@H](C)S(=O)(=O)N1CCC(c2ccc(C(N)=O)c(N)n2)CC1 19765820 CPEPPGKCCCBCCE-JTQLQIEISA-N 340.449 1.070 0 40 EDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)nn1 225446609 YAZPXTCUSGMNJK-LBPRGKRZSA-N 343.387 1.702 0 40 EDAB COc1cc(OC)cc(C(=O)OCC(=O)NC(=O)c2cccs2)c1 7124722 ZZVIYRROFYRNIU-UHFFFAOYSA-N 349.364 1.879 0 40 EDAB O=C([C@H]1CCOC1)N1CCC(COc2ccc3nccn3n2)CC1 1888850404 LMRTZLNILUXLCY-AWEZNQCLSA-N 330.388 1.383 0 40 EDAB CSc1nc(C2CC2)cc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 1888853965 JFZDZDVPSKYEFJ-CQSZACIVSA-N 348.472 1.904 0 40 EDAB CC1CCN(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC1 25176751 VTWAGKULNQCHEW-IBGZPJMESA-N 345.487 1.736 0 40 EDAB O=C(NCCNC(=O)c1ccccc1)C(=O)Nc1c(F)cccc1F 41370689 ROQAFXCMWIZWDJ-UHFFFAOYSA-N 347.321 1.450 0 40 EDAB COCCCCNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 41783786 JMDGWPIMPUDTDN-UHFFFAOYSA-N 349.387 1.120 0 40 EDAB O=C([C@@H]1CCOC1)N1C[C@@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 1565552962 FFZMOZPFGGFOEY-SNPRPXQTSA-N 328.416 1.211 0 40 EDAB CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)C3(F)CCC3)CCO2)C1=O 1565550777 FFYMKUNLKKUHET-BEFAXECRSA-N 346.402 1.732 0 40 EDAB CC(C)CNC(=O)[C@@H]1C[C@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]1O2 1565546066 RVBVERLJPGVEJA-ARFHVFGLSA-N 333.432 1.335 0 40 EDAB O=C(N[C@H]1CCc2onc(CN3CCCC3)c2C1)c1ccccn1 2055738869 WLDQPCLFBAOCGH-ZDUSSCGKSA-N 326.400 1.953 0 40 EDAB Cn1ccc(C(=O)N2CC(n3nc(-c4ccccc4)ccc3=O)C2)n1 1775974072 WAYDTFLEBKZEDC-UHFFFAOYSA-N 335.367 1.341 0 40 EDAB Cn1ccc(CN2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)cc1=O 2086850130 GLDCBPGZYQFAJV-GJZGRUSLSA-N 328.391 1.488 0 40 EDAB Cc1cc(O[C@@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)cc(=O)o1 206969216 IDMDDMMQCHECJA-OAHLLOKOSA-N 349.408 1.931 0 40 EDAB Cc1cccc(Cn2cccc(S(=O)(=O)N3CCOCC3)c2=O)c1 49408833 ZKSWXXJECWSWNY-UHFFFAOYSA-N 348.424 1.226 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2cnsn2)CC1 585148860 KVVRDQFEHKEXTO-UHFFFAOYSA-N 332.385 1.158 0 40 EDAB COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 31166440 QPQRGIHXJVTGCW-UHFFFAOYSA-N 332.264 1.519 0 40 EDAB biogenic,in-vitro COc1cccc(CN(C)S(=O)(=O)c2cnn(C)c2)c1OC 40528024 OCPCGWCTFNBANQ-UHFFFAOYSA-N 325.390 1.258 0 40 EDAB CC(=O)N[C@H](C(=O)NC[C@H](C)N1CCc2sccc2C1)C(C)C 31963613 SGKNURVNONANTK-LRDDRELGSA-N 337.489 1.772 0 40 EDAB O=C(CCCNC(=O)C1CC1)Nc1ccn(CCc2ccccn2)n1 51416465 ZGIJXWKKDYYPGG-UHFFFAOYSA-N 341.415 1.766 0 40 EDAB O=C(NCc1ccccc1)c1nnn2c1[nH]c(=O)c1cc(F)ccc12 20729393 JKHUUVDCEYGEPT-UHFFFAOYSA-N 337.314 1.640 0 40 EDAB COC(=O)Cn1cnc2c([nH]c3ccc(Br)cc32)c1=O 510429 OYSFYRDZRKHEFF-UHFFFAOYSA-N 336.145 1.813 0 40 EDAB Cc1ccc(CN2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)cc1 42358387 MHRNWLRUZPVVSE-MRXNPFEDSA-N 327.432 1.882 0 40 EDAB COc1ccc(N(CC(=O)N2CCCCCC2)S(C)(=O)=O)cc1 308864 CLZWMAQKRSHCGD-UHFFFAOYSA-N 340.445 1.864 0 40 EDAB COc1ccnc(N2CCN(C(=O)CCc3ccsc3)CC2)n1 47693815 VECWETTYPCFTIS-UHFFFAOYSA-N 332.429 1.828 0 40 EDAB O=C(c1cc2ccccc2oc1=O)N1CC[C@@](O)(C(F)(F)F)C1 77990514 UZVDYOFHVAMTND-AWEZNQCLSA-N 327.258 1.932 0 40 EDAB Cc1cccc(OCCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c1C 24861545 QRODOIOSEYGYKS-MRXNPFEDSA-N 325.430 1.766 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)Cc1ccccc1Br 78651973 DPEBNHUPZMUHCS-SNVBAGLBSA-N 348.262 1.883 0 40 EDAB CN(CCCOc1ccccc1)c1ncnc2c1cnn2CCO 97200277 VNURXSSSWCYKMU-UHFFFAOYSA-N 327.388 1.724 0 40 EDAB Cc1cccc(O[C@@H](C)C(=O)N2CCN(Cc3noc(C)n3)CC2)c1 79001571 YWHNKKRFBUGBNS-AWEZNQCLSA-N 344.415 1.798 0 40 EDAB CCCn1nc(C(=O)NC[C@H](c2ccsc2)N(C)C)ccc1=O 25329400 DGNAKYGZRNZIOD-CQSZACIVSA-N 334.445 1.748 0 40 EDAB Cc1cc(NC(=O)CN2CCN(CCc3ccccc3)CC2)on1 25437560 BZUGIAOBJRWHFD-UHFFFAOYSA-N 328.416 1.782 0 40 EDAB C[C@H]1CN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)O1 26461385 WKPDTPSOKRDVDS-QWRGUYRKSA-N 335.360 1.173 0 40 EDAB COc1cccc(NC(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)N(C)C)C2)c1 107263208 BDVMZXAOGALTMO-RBSFLKMASA-N 333.388 1.405 0 40 EDAB O=C(NCCN1CCOCC1)c1ccn(-c2cccc(Cl)c2)n1 57400971 OXUBUMFCJYZUCB-UHFFFAOYSA-N 334.807 1.588 0 40 EDAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC(N2CCNC2=O)CC1 52216798 ZBQKBJJBZTXDEO-ZDUSSCGKSA-N 348.422 1.320 0 40 EDAB COC(=O)CSc1nc2[nH]c(-c3cccc(OC)c3)cc(=O)n2n1 10338657 VMZWWEOCDZRMND-UHFFFAOYSA-N 346.368 1.358 0 40 EDAB CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1cccs1 57718234 AQPGAEBAKZPZNA-UHFFFAOYSA-N 333.523 1.642 0 40 EDAB CC(C)COc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1 8053606 HEAVYNQZZIQYKI-UHFFFAOYSA-N 334.405 1.372 0 40 EDAB COc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2)cc1 8158210 XOBCIQUMQAXVJF-UHFFFAOYSA-N 334.397 1.290 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)cc1 44670277 DXQMBHNAFLCUAA-ZDUSSCGKSA-N 328.372 1.061 0 40 EDAB CCOC(=O)/C=C\[C@@H]1OC(C)(C)O[C@H]1[C@H](O)[C@@H]1COC(C)(C)O1 8665793 IRSBSJCQLYNPLV-SXDCCUKASA-N 330.377 1.138 0 40 EDAB CN1CCO[C@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)C1 58136352 PUKSFEFIWIOHFP-OAHLLOKOSA-N 329.400 1.721 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3ccc([S@](C)=O)cc3)CC2)on1 44890392 JCCXTCOZUIWIGJ-XMMPIXPASA-N 347.440 1.678 0 40 EDAB O=C(Cn1c(-c2ccccc2)noc1=O)N1CCO[C@H]2CCCC[C@@H]21 58208681 WJYKVSBCLUYUTM-GJZGRUSLSA-N 343.383 1.673 0 40 EDAB Cc1ccc(CNC(=O)NCCCn2nc3ccccn3c2=O)s1 58223114 DPRAYAYTDLPCGA-UHFFFAOYSA-N 345.428 1.755 0 40 EDAB CN1CCC[C@H]1CNC(=O)CNC(=O)c1cc(-c2ccccc2)on1 58228263 FTNWOENWYBFRJO-AWEZNQCLSA-N 342.399 1.282 0 40 EDAB C[C@H]1CN(CCNC(=O)NCc2cccnc2N(C)C)C[C@@H](C)O1 44953765 BROIMODZKMSGPV-OKILXGFUSA-N 335.452 1.056 0 40 EDAB CCCCNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 2179252 HJDWORVVJBQKAC-GFCCVEGCSA-N 328.434 1.766 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCCC1 56668045 PNYZVRUPUKOIJT-GFCCVEGCSA-N 326.418 1.293 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)NO[C@@H]2CCCCO2)cc1 58419305 RPWFHTMYBADFKF-CYBMUJFWSA-N 328.390 1.125 0 40 EDAB Cc1c(C(=O)N[C@@H](C)c2cccnc2)cnn1[C@H]1CCS(=O)(=O)C1 58405966 QQQANKHSFXJCIX-FZMZJTMJSA-N 348.428 1.437 0 40 EDAB Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)n1 28194974 DITQAZJRDBRHLQ-JTQLQIEISA-N 338.389 1.300 0 40 EDAB COc1ccc(OC)c([C@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 48039201 MKEMMXRBMSHWGJ-DYVFJYSZSA-N 334.372 1.458 0 40 EDAB Cc1cc(S(=O)(=O)N2C[C@H]3C[C@H]2C(=O)O3)c(Cl)cc1Cl 106876302 HCIVMKUTXDRHGW-XCBNKYQSSA-N 336.196 1.990 0 40 EDAB CC(C)CCc1cc(=O)[nH]c(N2CCN(c3ncccn3)CC2)n1 22448984 GTSRTZDDVZKNTQ-UHFFFAOYSA-N 328.420 1.475 0 40 EDAB O=C(NCCCO)c1nc2c3c4c(sc3ncn2n1)CCCC4 2436809 QHNXKSZSGJRTLN-UHFFFAOYSA-N 331.401 1.330 0 40 EDAB CCOc1ncccc1C(=O)NCc1ccc(N2CCOCC2)nc1 28929134 OHCPGNAGPRVKQB-UHFFFAOYSA-N 342.399 1.642 0 40 EDAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NOCC 45871019 RABBIXXVDUIUQR-GFCCVEGCSA-N 339.417 1.352 0 40 EDAB O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccc(-n2ccnc2)cc1 95445601 MVZOBRDLJFTRLI-MSOLQXFVSA-N 340.427 1.855 0 40 EDAB COCc1nnc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)s1 59745233 NEDQXHLVBIIJIK-VIFPVBQESA-N 327.410 1.017 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NC[C@@H]1CCCO1 100217046 QYSAUTNKEUMJHA-CQDXQUMASA-N 328.368 1.369 0 40 EDAB CN(C(=O)COc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 102715796 QMGITOQAKNIOQV-UHFFFAOYSA-N 348.424 1.979 0 40 EDAB C[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)NC(=O)NC1CC1 22614629 SQFXOZBKDMMFGR-ZCFIWIBFSA-N 334.323 1.964 0 40 EDAB O=C(Cn1cccn1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 48235131 OKKCPSQFEHCKMY-UHFFFAOYSA-N 326.400 1.162 0 40 EDAB CCN1CCC(NC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)CC1 69717236 GODCMNVEWRQBDE-UHFFFAOYSA-N 347.398 1.716 0 40 EDAB NC(=O)c1c(NC(=O)CSc2ncn[nH]2)sc2c1CCCC2 3396132 GVTXVRMJXREGTJ-UHFFFAOYSA-N 337.430 1.575 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 3340329 VRVIDWPXKVIJEE-UHFFFAOYSA-N 333.365 1.749 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)NCCc2cccc(F)c2)CC1 12980709 OJMXUYYQKDYBQM-UHFFFAOYSA-N 343.424 1.091 0 40 EDAB Cc1c(CC(=O)NCCCn2ccnc2)c(=O)oc2cc(O)ccc12 5207804 FALPCONZQIDFFI-UHFFFAOYSA-N 341.367 1.753 0 40 EDAB CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc3c(c2)CCC3)CC1 5279432 QOPNYFROPXUVMU-UHFFFAOYSA-N 343.427 1.585 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)NCCc1c[nH]c2cc(C)ccc12 65607043 HZYASBMFXLHGJK-AWEZNQCLSA-N 348.472 1.925 0 40 EDAB Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 9477676 YCQBQUCVWVMBNY-UHFFFAOYSA-N 339.461 1.670 0 40 EDAB O=Cc1ccccc1OCC(=O)NCc1ccc(-n2ccnc2)nc1 66285274 ZHVMXEWDOYUBLV-UHFFFAOYSA-N 336.351 1.775 0 40 EDAB C[C@H](NC(=O)Cn1cccn1)c1cc(F)ccc1N1CCN(C)CC1 71853316 WPYMCNIHZBGNGU-AWEZNQCLSA-N 345.422 1.651 0 40 EDAB COc1ccc2c(ccn2CC(=O)N2CCN(C[C@H](C)O)CC2)c1 71871258 DEDAHQYLWYAGRN-AWEZNQCLSA-N 331.416 1.175 0 40 EDAB CNC(=O)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 7614258 HPSDYUBUTGQUES-ZDUSSCGKSA-N 333.388 1.440 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)CCOc2ccccc2Cl)CC1 71871219 QFFQYFGHRLGRBN-CYBMUJFWSA-N 326.824 1.634 0 40 EDAB NC(=O)CN1CCCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1 71829268 HPTZRQCSHACMIC-FUHWJXTLSA-N 345.443 1.174 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1 71871229 AWVBGTFYZZRHOH-GFCCVEGCSA-N 348.834 1.869 0 40 EDAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCNC1=O 8231450 WZOJGAQJILUJMA-ZDUSSCGKSA-N 331.372 1.147 0 40 EDAB C[C@H](OC(=O)[C@H](C)N1CCc2ccccc2C1)C(=O)N1CCOCC1 70040136 KTGJVWDSCYCNEB-GJZGRUSLSA-N 346.427 1.224 0 40 EDAB Cc1ccc(CC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)cn1 70016246 DSQZVUMPOVRGOJ-IBGZPJMESA-N 339.439 1.810 0 40 EDAB C[C@H](NC(=O)c1cc[nH]n1)c1cc(F)ccc1N1CCN(C)CC1 72062811 UBEOUQLRUBLAPK-LBPRGKRZSA-N 331.395 1.792 0 40 EDAB COc1ccc(F)cc1C(=O)C(=O)N1CCC[C@@H](c2n[nH]c(C)n2)C1 83996325 DLUACSNSEWYTPA-LLVKDONJSA-N 346.362 1.850 0 40 EDAB Cc1occc1C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 69457616 UPAGBSXQPBPERQ-UHFFFAOYSA-N 339.355 1.748 0 40 EDAB Cc1noc(C)c1CN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1cnn(C)c1 69492173 XVVJGRMQRXXNAL-WFASDCNBSA-N 332.360 1.589 0 40 EDAB CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1 408710327 XKFIYEADXMAVHU-UHFFFAOYSA-N 341.367 1.310 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)[nH]1 69529212 CUYPWPGFOWEDKO-BDAKNGLRSA-N 340.792 1.604 0 40 EDAB Cn1cc(CCC(=O)N2CCCN(Cc3cscn3)CC2)cn1 69626935 VPRURABIYXMJAI-UHFFFAOYSA-N 333.461 1.544 0 40 EDAB CC(=O)N1CCCN(C(=O)NCCc2ccc(N(C)C)cc2)CC1 69657406 ZVMRGDVBSMBHIL-UHFFFAOYSA-N 332.448 1.559 0 40 EDAB Cc1cccc(C2(CNC(=O)Cn3ccc(=O)[nH]c3=O)CCCC2)c1 69777459 WYPIRVOBNNIEOE-UHFFFAOYSA-N 341.411 1.473 0 40 EDAB CCn1cc(CNC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cn1 69744959 ISACLAIMPADPCR-KRWDZBQOSA-N 340.427 1.876 0 40 EDAB C[C@@H]1Oc2c(cccc2C(=O)N2CCC[C@@H]2Cn2cccn2)NC1=O 69744646 AOCPPJVGLMAXJT-QWHCGFSZSA-N 340.383 1.907 0 40 EDAB CS(=O)(=O)c1ccc(OCCNC(=O)/C=C/c2ccco2)cc1 69815020 DSPIHIYJLHJBRY-RMKNXTFCSA-N 335.381 1.892 0 40 EDAB CCn1cnnc1CCNc1nc(-c2cccnc2)nc2c1CNC2 72129275 RQEXCNGJSOTZRT-UHFFFAOYSA-N 336.403 1.408 0 40 EDAB NC(=O)c1nccnc1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 73846497 LEHPHDILUMKHDP-LBPRGKRZSA-N 328.347 1.419 0 40 EDAB CC1(C)NC(=O)N(CCC(=O)Nc2cccc3cccnc23)C1=O 8982505 XGOYORWXSTVLBS-UHFFFAOYSA-N 326.356 1.894 0 40 EDAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)CCCn2cncn2)n1 72253039 UMLNHOLINUGXHQ-MRXNPFEDSA-N 330.436 1.953 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H](c4ccn[nH]4)C3)nc2n1 72282702 JSPJKOCKZQWWMB-LBPRGKRZSA-N 325.376 1.484 0 40 EDAB Cc1ccc2c(O)c(C(=O)NCCN3CCC(CO)CC3)cnc2n1 84205828 USRDVDVZMPVXQT-UHFFFAOYSA-N 344.415 1.078 0 40 EDAB CC(=O)N1CCCN([C@@H]2CN([C@@H](C)c3nnc(C)o3)C[C@@H]2C)CC1 84291311 UAZQWYYYLDZCEF-HEHGZKQESA-N 335.452 1.314 0 40 EDAB Cc1noc([C@H](C)N[C@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)n1 72300495 AAKQFOXSRMUQQC-GVXVVHGQSA-N 330.454 1.477 0 40 EDAB CC(C)S(=O)(=O)N1CC[C@H](NCc2ccc(CO)o2)[C@H](C)C1 72300652 UBGFKTVXGGMYIU-DOMZBBRYSA-N 330.450 1.310 0 40 EDAB Cc1nc(-c2cccc(C(=O)NC[C@@H](C)CN3CCOCC3)c2)n[nH]1 75091940 BIZSQYOTUIQGJJ-CYBMUJFWSA-N 343.431 1.478 0 40 EDAB CCCCN(C(=O)CNC(=O)NC)C1CC(C)(C)NC(C)(C)C1 89570908 IRVNZARGYAGHAC-UHFFFAOYSA-N 326.485 1.853 0 40 EDAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75124269 YAGQDPJTUGDDSX-SCZZXKLOSA-N 334.294 1.916 0 40 EDAB O=C(Cn1ccc2ccccc21)NCCS(=O)(=O)NCC1CCC1 89873268 IARHTHRMAYIHQM-UHFFFAOYSA-N 349.456 1.477 0 40 EDAB CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)C1CC1 89960904 RREGHADUBRFLOT-SFHVURJKSA-N 345.399 1.473 0 40 EDAB CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2ccn(C)c(=O)c2)C1 76047383 XSEDAYNROYCART-OAHLLOKOSA-N 343.431 1.352 0 40 EDAB O=C(NCCNC(=O)c1cccnc1)Nc1nc(C2CC2)cs1 76073777 YPYPORAALBSXKW-UHFFFAOYSA-N 331.401 1.967 0 40 EDAB CCOc1ncccc1C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 76060215 ILRYNZGNJXUADD-NSHDSACASA-N 343.387 1.322 0 40 EDAB COc1ccccc1CN1Cc2ncnn2C[C@H](C(=O)N(C)C)C1 306136828 QENNQJFYGVFCHS-CQSZACIVSA-N 329.404 1.007 0 40 EDAB COCCNC(=O)c1nn(C)c2c1Cc1cc(OC)c(OC)cc1-2 32072431 GZIYAYGMENXQPP-UHFFFAOYSA-N 331.372 1.385 0 40 EDAB O=C(Nc1nnn[nH]1)c1cc(Oc2ccccc2)c2ccccn2c1=O 2018 ZUPLNRDTYQWUHP-UHFFFAOYSA-N 348.322 1.857 0 40 EDAB biogenic,in-man CN1CCCN(C(=O)Nc2ccccc2CN2CCOCC2)CC1 181515387 OJSDFYPSGHTUAQ-UHFFFAOYSA-N 332.448 1.688 0 40 EDAB CCOc1ccc(NC(=O)C[C@H](NCCCN(C)C)C(=O)O)cc1 56964121 ZTVIQGJWHRFPHN-HNNXBMFYSA-N 337.420 1.408 0 40 EDAB COC(=O)c1sc2ccccc2c1Cn1nc2cnccn2c1=O 185564020 CPTHXNJRSNTTIK-UHFFFAOYSA-N 340.364 1.941 0 40 EDAB CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 72242218 KGCCZHPOSVJSCE-NVXWUHKLSA-N 333.407 1.509 0 40 EDAB O=S(=O)(C1CC1)N1CCCN(c2cnc3ccccc3n2)CC1 374573582 VBCBBGXHWAPPOA-UHFFFAOYSA-N 332.429 1.634 0 40 EDAB O=C(NCCCn1ncccc1=O)c1cc(=O)c2ccccc2o1 38517364 WAYWUVJFQUHNLE-UHFFFAOYSA-N 325.324 1.170 0 40 EDAB C[C@H]1CCN(C(=O)C(=O)Nc2cccn(C)c2=O)[C@@H](c2ccco2)C1 126925185 NTIDFMGDTGNLIN-GXTWGEPZSA-N 343.383 1.917 0 40 EDAB CCCCNS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1 217552360 RBNGRMFQGJUCQH-LLVKDONJSA-N 344.433 1.910 0 40 EDAB COCCCNC(=O)[C@H](C)[S@](=O)Cc1cc(F)ccc1OC 79324418 GEPSIYPUJBMWNJ-SAHAZLINSA-N 331.409 1.624 0 40 EDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1C(C)=CCC[C@H]1C 215607555 UISCNGPLOSXQIM-BZUAXINKSA-N 342.505 1.604 0 40 EDAB Cc1oc(CNS(=O)(=O)c2cccc3c2OCC3)cc1C(=O)O 562939666 QOYUPCPNOGLVRN-UHFFFAOYSA-N 337.353 1.700 0 40 EDAB CC[C@]1(C)CN(C(=O)NCc2cccnc2-n2ccnc2)CCO1 187770769 RTGMZZIDRZBQRT-QGZVFWFLSA-N 329.404 1.978 0 40 EDAB COc1ccc(S(=O)(=O)N2CCCC2)cc1N1C(=O)CCC1=O 224063062 BXSKCWXVXVXGMS-UHFFFAOYSA-N 338.385 1.133 0 40 EDAB CSc1ccc(S(=O)(=O)NCCN(C)C)cc1NC(C)=O 225651055 DNPFMSYQBJJCRY-UHFFFAOYSA-N 331.463 1.207 0 40 EDAB O=C(Nc1cccc2nsnc12)c1nc(-c2cnccn2)no1 42381599 SFSBTMUILNSUMW-UHFFFAOYSA-N 325.313 1.784 0 40 EDAB O=C(Cc1ccc(I)cc1)N1CCC[C@H]1CO 191507967 PZPWFGWTCQQCBC-LBPRGKRZSA-N 345.180 1.817 0 40 EDAB CC(=O)N1CCN(C(=O)CCNc2ccc3ccc(F)cc3n2)CC1 96427357 ATSXFDKVOKGADU-UHFFFAOYSA-N 344.390 1.867 0 40 EDAB O=C(NCCCc1nc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1CO 96011009 PCLRXSOOWDLAMT-CQSZACIVSA-N 348.378 1.975 0 40 EDAB CCn1nnnc1-c1cccc(NC(=O)c2c(C)nn3cccnc23)c1 96413954 ZKTBQSJMOJJZCI-UHFFFAOYSA-N 348.370 1.963 0 40 EDAB CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)NC1CCOCC1 96112988 DORDPHZEQYKMKJ-DLBZAZTESA-N 345.443 1.233 0 40 EDAB biogenic,in-vitro O=C([C@H]1CCOC1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 96161367 NUGKTUUOWOMODT-JKSUJKDBSA-N 328.412 1.545 0 40 EDAB COc1ccc(C2=NO[C@](C)(C(=O)NCc3cnn(C)c3C)C2)cc1 96192763 HQHNQESSVMJPHM-SFHVURJKSA-N 342.399 1.937 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccco3)[nH]n2)cc1 95473736 DWEUNRRLIOBZDC-UHFFFAOYSA-N 346.368 1.247 0 40 EDAB O=C(Cn1cnnc1O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 333339272 OMCYMVOFLSIDMA-UHFFFAOYSA-N 334.326 1.968 0 40 EDAB Cc1ccc(Cl)cc1OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 96442840 ZCOJJRUJIKBLMH-FNORWQNLSA-N 334.759 1.665 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(Cc3nccs3)Cc3nccn3C2)n1 96188702 CJZYFFRGOATADR-AWEZNQCLSA-N 343.460 1.880 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@@H](c2cccnc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101340 QKICAXGIFLFMLC-RVSPLBMKSA-N 331.372 1.517 0 40 EDAB O=C(c1ccncn1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96205810 LCAIBCGHXGWFJK-KDOFPFPSSA-N 340.383 1.714 0 40 EDAB CN(C[C@H](O)Cn1cccn1)[C@@H]1CCCN(c2ccccc2)C1=O 96406640 YUWHDRPPDSYFGO-DLBZAZTESA-N 328.416 1.371 0 40 EDAB CN1CCN([C@H]2COC3(CCN(C(=O)c4ccccn4)CC3)C2)CC1 96048862 SHAUXBMUMJYHLV-MRXNPFEDSA-N 344.459 1.093 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)n1 96456343 VCBLIGWQWPHPAB-WFASDCNBSA-N 349.479 1.835 0 40 EDAB COCCNC(=O)C[C@H]1OC[C@H]2CN(Cc3ccccc3C)CC[C@H]21 96209134 SNUWXWNONJPWMV-GUDVDZBRSA-N 346.471 1.985 0 40 EDAB O=c1cc(CN2CCCC2)nc2n1CCCN(Cc1ccco1)C2 96086874 DHIRGGJYLBOIOG-UHFFFAOYSA-N 328.416 1.838 0 40 EDAB CN(CCn1cccn1)S(=O)(=O)c1cnn(-c2ccccc2F)c1 96427984 MUEISYUDVAYPLL-UHFFFAOYSA-N 349.391 1.529 0 40 EDAB O=C(CN1CCOCC1)N1CCN([C@H]2CCc3ccc(F)cc32)CC1 96451980 NUNAXLMUXAHZSJ-SFHVURJKSA-N 347.434 1.289 0 40 EDAB CN1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3ccsc3)CC[C@@H]21 96185615 BRHPENCYVKEXOL-ILXRZTDVSA-N 331.445 1.575 0 40 EDAB O=C(c1cnccn1)N1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 96226346 UYCAGPCWKNOJFQ-GOSISDBHSA-N 339.399 1.383 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CN(C)CCO1 248906146 UVPVOKKYKKTDAE-BPQIPLTHSA-N 346.475 1.137 0 40 EDAB CS(=O)(=O)N1CC[C@@H]2OCCC[C@@]2(COc2cccnc2)C1 247493831 CKRPTSVFFJLQOF-GJZGRUSLSA-N 326.418 1.291 0 40 EDAB CCc1cccc(NC(=O)CN2CCC[C@](O)(c3cnn[nH]3)C2)c1 585081515 QKXCVJUHQJQMGK-QGZVFWFLSA-N 329.404 1.289 0 40 EDAB Cc1nc(C)c(C(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)s1 257250012 JKQGLPHDEJXHMM-KRWDZBQOSA-N 346.456 1.868 0 40 EDAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H](c2ccnc(O)n2)C1 257226272 FJYFZSIRQNCVOY-NSHDSACASA-N 337.376 1.890 0 40 EDAB Cc1cc(C)nc(C[C@@H]2COCCN(C(=O)c3cccnc3)C2)n1 257300734 RVMOEQIOVCONEI-HNNXBMFYSA-N 326.400 1.820 0 40 EDAB CC(=O)NCC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C 257312855 UPVSOJXACWQDHU-OKZBNKHCSA-N 329.444 1.949 0 40 EDAB COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[C@H](CCN3CC(N)=O)O[C@H]21 257316270 VEWWFABPAFDRIF-QDEZUTFSSA-N 346.427 1.872 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3cccnc3)C2)OC1 253494378 XHJLBCYMLMHVII-HNNXBMFYSA-N 339.461 1.002 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)C3CCOCC3)CCO2)n1 257338092 YVTQNGWDUBSKAD-QGZVFWFLSA-N 333.432 1.783 0 40 EDAB CN(C)[C@H]1CC2(CCN(C(=O)c3cccs3)CC2)OC[C@]1(C)O 257322093 WEOIGOPGIRLLPA-HOCLYGCPSA-N 338.473 1.824 0 40 EDAB Cc1cn(C)c([C@@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1 257307413 SYNWDGSHWOUFLF-INIZCTEOSA-N 340.431 1.962 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1cc(-c2ccco2)n(C)n1 85471372 FDAKBFSTMFSAGU-UHFFFAOYSA-N 336.373 1.763 0 40 EDAB Cc1cc(C[C@@H]2COCCN(C(=O)COc3cccnc3)C2)ncn1 257276300 NTDKFNZFKSIJHY-HNNXBMFYSA-N 342.399 1.277 0 40 EDAB Cc1cccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccccn3)C2)n1 257325256 WSDFELISQIEQHU-IBGZPJMESA-N 340.427 1.889 0 40 EDAB CC1(C)NC(=O)N(CCN2CCN(Cc3cccs3)CC2)C1=O 26906382 SMPAFZAFZNAOGP-UHFFFAOYSA-N 336.461 1.196 0 40 EDAB Cn1cnc(S(=O)(=O)NCCCN2CCCCCC2)c1Cl 26817997 VHYSHMIPYDWBME-UHFFFAOYSA-N 334.873 1.618 0 40 EDAB CN(C)C(=O)c1cccc(CCNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)c1 262738707 VXAYBLWBIKDSJE-SHTZXODSSA-N 346.427 1.938 0 40 EDAB NCC12CCC(CC1)CN2C(=O)c1ccc(-n2cncn2)c(F)c1 1615054540 RCHYXQJMQKMXBB-UHFFFAOYSA-N 329.379 1.750 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)NCC(F)(F)C2(O)CCCCC2)C1 1615058619 ROJIVQFJIWSYAN-ZDUSSCGKSA-N 332.391 1.692 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(C(=O)O)cc2)CCN1Cc1nccn1C 1615046598 MSXTUBOWWVZLGW-ZDUSSCGKSA-N 342.399 1.465 0 40 EDAB O=C(NCC1(n2cc(Br)cn2)CC1)[C@]12CC[C@H]1CNC2 1615547736 PRLAFXAOQFVXIK-HZMBPMFUSA-N 339.237 1.251 0 40 EDAB CN1C(=O)COc2ccc(C(=O)NC(C)(C)[C@H](O)C(F)(F)F)cc21 1615546615 AMWAVDDYOFIDCC-ZDUSSCGKSA-N 346.305 1.473 0 40 EDAB CO[C@@H]1C[C@H](COc2cccnc2)N(C(=O)[C@H](C)n2cccn2)C1 1615615701 TWEXKJOYFIIYNZ-SQWLQELKSA-N 330.388 1.534 0 40 EDAB O=S1(=O)C=C[C@@H](NC(=S)NCCc2c[nH]c3ccccc23)C1 575422107 MHWSXNGSPOEGMG-GFCCVEGCSA-N 335.454 1.485 0 40 EDAB COCC(=O)NC[C@H]1CCC2(CN(C(=O)c3cccc(C)c3)C2)OC1 575405991 VMKAQYMXLVTAAE-OAHLLOKOSA-N 346.427 1.379 0 40 EDAB COc1ccc(C(=O)CN[C@]2(C)CCS(=O)(=O)C2)cc1OC 575425027 WUARCLAMYSSXQE-OAHLLOKOSA-N 327.402 1.053 0 40 EDAB COc1cc(C(=O)NCCNc2ncccn2)cc2c1OCCO2 65404000 PDDSCPXCJZIHBC-UHFFFAOYSA-N 330.344 1.098 0 40 EDAB Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)CCO[C@@H]1CC1(F)F 585115554 GRTPDDWNWGDTHL-PRHODGIISA-N 338.376 1.566 0 40 EDAB COCCN1CCC[C@@H](NS(=O)(=O)c2ccc(OC)cc2C)C1 585139795 OMXDEJQVKFFPTE-CQSZACIVSA-N 342.461 1.393 0 40 EDAB CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc2c(c1)OCCCO2 677960951 VBPFXFBMURNPJZ-KGLIPLIRSA-N 347.415 1.562 0 40 EDAB CCc1nn2c(=O)cc(CN3CCC[C@@H]3Cn3cccn3)nc2s1 69744817 RRPHHJJUGUCVRR-CYBMUJFWSA-N 344.444 1.575 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 69893776 RVHOFGONTCFLTN-TZMCWYRMSA-N 338.835 1.416 0 40 EDAB C[C@@H]1CCc2c(sc3ncnc(N4CC(OCC(N)=O)C4)c23)C1 72312280 VBOZGCKOOUEMGG-SECBINFHSA-N 332.429 1.507 0 40 EDAB COC(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(C)c2C)CC1 43941815 ZKLRWNXPRANMNN-UHFFFAOYSA-N 347.415 1.837 0 40 EDAB Fc1ccc(CN2CCC(Nc3ccc4nnnn4n3)CC2)cc1 52467231 ZOVOJGHTRUVETH-UHFFFAOYSA-N 327.367 1.735 0 40 EDAB Cc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)c(=O)[nH]1 75118642 MLIQPCIPLFXKEW-UHFFFAOYSA-N 340.427 1.235 0 40 EDAB O=C(NC1CCCCC1)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 75156549 GSUNUIDYIHCIKK-UHFFFAOYSA-N 343.387 1.866 0 40 EDAB Cc1ccc2nc(CN3CCO[C@H](c4nc(C)n[nH]4)C3)cc(=O)n2c1 76049101 IMAIIVMQNHXHGI-AWEZNQCLSA-N 340.387 1.003 0 40 EDAB CCOc1ccc(C(=O)CCC(=O)NC[C@H]2CN(C)CCO2)cc1 58309403 KHCHNJCVKDSVQP-INIZCTEOSA-N 334.416 1.495 0 40 EDAB COCc1cc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)ncn1 93328974 BMLDXVNADXUKEI-LBPRGKRZSA-N 328.376 1.418 0 40 EDAB C[C@H]1CN(C[C@H](O)Cn2ccnc2C(=O)c2ccccc2)C[C@@H](C)O1 97375853 MFGZTQKNYOFAJU-UXLLHSPISA-N 343.427 1.584 0 40 EDAB O[C@@H](COc1ccccc1)Cn1cc(I)cn1 95438738 OGTPDSHFSYPZFP-LLVKDONJSA-N 344.152 1.928 0 40 EDAB C[C@H](NCC(=O)N1CCOCC1)c1cnn(Cc2ccccc2)c1 96493969 YOMPWURWEZZAPA-HNNXBMFYSA-N 328.416 1.441 0 40 EDAB CN(C)C(=O)N1CCC(Oc2ncc(Br)cn2)CC1 1888850062 CJLYPWQRFSUEGA-UHFFFAOYSA-N 329.198 1.764 0 40 EDAB CN1CCN(C(=O)[C@@H]2CN(C)[C@H]3c4cc(F)ccc4OC[C@@H]23)CC1 1772595894 RFMSLAHDDJQBHE-VYDXJSESSA-N 333.407 1.211 0 40 EDAB Cc1ccnc(Nc2ccc(NCCNC(=O)[C@H]3CCCO3)nn2)c1 11696760 WZYIWOJHQFWRER-CYBMUJFWSA-N 342.403 1.631 0 40 EDAB Cc1n[nH]cc1C(=O)N1CCC[C@H](c2nc3ccccc3c(=O)[nH]2)C1 12116229 WLCHRTTYKPVBGE-LBPRGKRZSA-N 337.383 1.974 0 40 EDAB Cc1cc(-c2snnc2[C@H]2CCCN(S(C)(=O)=O)C2)on1 12251785 GDXCDLJQLWKBMV-VIFPVBQESA-N 328.419 1.641 0 40 EDAB COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)c1 16972512 QKPPNMDDOSPQMP-SNVBAGLBSA-N 347.396 1.983 0 40 EDAB CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(OC)cc2)CC1 16088717 RKTVNAFTPAYCHV-UHFFFAOYSA-N 342.417 1.594 0 40 EDAB CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)[C@@H](C)CSC)C1 585130749 AZPGMENXPVQXOG-WDEREUQCSA-N 325.434 1.901 0 40 EDAB O=C([C@H]1CCCN(Cc2nnc(C3CC3)o2)C1)N1CCSCC1 1888853512 RDFUXDRLRPTHEJ-ZDUSSCGKSA-N 336.461 1.734 0 40 EDAB Cc1nc(N2CCO[C@@H](C(=O)NC3CC3)C2)cc(C(F)(F)F)n1 1889065376 KYIUCIZAVVHIBW-SNVBAGLBSA-N 330.310 1.288 0 40 EDAB CCOc1ccc2nnc(CNC(=O)c3sc(C)nc3C)n2n1 244969060 GWOIKTHJCVEEOY-UHFFFAOYSA-N 332.389 1.526 0 40 EDAB Cc1csc(NC(=O)CSc2nnc3nc(O)cc(C)n23)n1 4478995 FOAOTYHZQNUGQQ-UHFFFAOYSA-N 336.402 1.634 0 40 EDAB CC(C)CNC(=O)CCn1cnc2c(cnn2-c2ccccc2)c1=O 12440176 HMUMZPOSOHLSSW-UHFFFAOYSA-N 339.399 1.745 0 40 EDAB O=C(Nc1cccnc1)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713628 OQNBONWQEZQAFE-ZDUSSCGKSA-N 339.399 1.715 0 40 EDAB Cn1ccnc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c1=O 2298183874 LMSWOLYKJKMLIS-GFCCVEGCSA-N 340.374 1.254 0 40 EDAB Cc1cc([C@@H](O)CCNC(=O)C(=O)NCc2ccc(F)cc2)c(C)o1 85561995 BWZYWKIDXRXLIP-INIZCTEOSA-N 348.374 1.892 0 40 EDAB Cc1cc([C@H](O)CCNC(=O)C(=O)NCCc2ccccc2)c(C)o1 85561956 UDHDOAGWHPKTJN-QGZVFWFLSA-N 344.411 1.795 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)NCCCn2cccn2)C1=O 30168445 QPVBEXDSEPBLKY-CQSZACIVSA-N 342.399 1.594 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)N(C)Cc2ccco2)c1 31139023 RBZMTWFDEKROSX-UHFFFAOYSA-N 337.401 1.529 0 40 EDAB CC(=O)c1cccc(NC(=O)CCc2c(C)nc3ncnn3c2O)c1 20283358 SSFAGBARFWUJSO-UHFFFAOYSA-N 339.355 1.912 0 40 EDAB CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccccc1 40498551 OYROFOGLKRVVFX-UHFFFAOYSA-N 338.367 1.299 0 40 EDAB Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 40527688 KRTLICLDUQPBTD-ZDUSSCGKSA-N 348.428 1.318 0 40 EDAB CC(C)C(=O)NCCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 40501010 YXSNIGBISLGLIZ-UHFFFAOYSA-N 342.440 1.021 0 40 EDAB Cc1noc(C)c1CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 40529496 JEEWFDNMHBFAPB-LBPRGKRZSA-N 344.415 1.770 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)NCCc2cccnc2)cc1 40501932 WFNZURUZAQXTNI-UHFFFAOYSA-N 348.428 1.032 0 40 EDAB Cc1nc2ccc(C(=O)NCCCN3CCOCC3)cc2nc1C 21324112 NKNHQGNNNSYNJB-UHFFFAOYSA-N 328.416 1.699 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)C2C3CC4CC(C3)CC2C4)n1 32848748 NWYWBVRQYIBTDV-UHFFFAOYSA-N 331.420 1.635 0 40 EDAB O=C(CSc1nnc(O)[nH]c1=O)Nc1ccc(F)c(Cl)c1 41605713 LQPYZOLAMOYYEP-UHFFFAOYSA-N 330.728 1.394 0 40 EDAB COc1ccnc(N[C@@H](C(=O)N2CCOCC2)c2ccccc2)n1 53580951 NUOHGLPJCLZSID-OAHLLOKOSA-N 328.372 1.497 0 40 EDAB C/C(=C\C(=O)N1CCN(CCC(=O)NC2CC2)CC1)c1ccccc1 104142984 ZONMSBGTKCCFBB-FOCLMDBBSA-N 341.455 1.903 0 40 EDAB CCS(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2=O)cc1 23113689 VEGNWBAPHZFQFE-UHFFFAOYSA-N 338.429 1.821 0 40 EDAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCOCC1 422442 FDMXXKHVWLGWDY-UHFFFAOYSA-N 346.456 1.840 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(Cl)s1 24674404 MNXUCCBUQWQVDD-VIFPVBQESA-N 336.866 1.945 0 40 EDAB Clc1snnc1CN1CCO[C@H](CNc2cccnn2)C1 78893538 XRDLAXAMIUICAJ-SECBINFHSA-N 326.813 1.294 0 40 EDAB CN1C[C@H](C(=O)NCCc2ccc(F)c(Br)c2)CC1=O 55865877 SPUSHMRFSYBIMI-SNVBAGLBSA-N 343.196 1.725 0 40 EDAB CCn1cc(NC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cn1 43645745 IMCIDEMFHGWNHK-UHFFFAOYSA-N 348.407 1.279 0 40 EDAB COc1ccc(C2(CNC(=O)[C@@H]3CC(=O)N(C)C3)CCOCC2)cc1 56452425 HPPVMPXTNODCKZ-CQSZACIVSA-N 346.427 1.338 0 40 EDAB COC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1Cl 6320810 LYNRJBUBDZSCNY-UHFFFAOYSA-N 335.809 1.969 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NCCNC(=O)c1ccoc1 57008830 CXMSTFCIDKKZRW-UHFFFAOYSA-N 326.349 1.435 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2cccnc2)C1=O 8720779 YLQRMUHITKZWSV-ZDUSSCGKSA-N 325.368 1.902 0 40 EDAB COCCNC(=O)NC(=O)CNC(c1ccccc1)c1ccccc1 58160537 CXXQRQWYAHOQAZ-UHFFFAOYSA-N 341.411 1.838 0 40 EDAB COc1cc2c(cc1CNC[C@H]1CCS(=O)(=O)C1)O[C@@H](C)C2 44862977 DXURMGRQFWYCFZ-NWDGAFQWSA-N 325.430 1.543 0 40 EDAB CS(=O)(=O)CCNC(=O)NCC1(c2ccc(F)cc2)CCCC1 58236512 ONKZUNVIKGKGID-UHFFFAOYSA-N 342.436 1.981 0 40 EDAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CCC(=O)NC1CC1 44938257 PBFPDBJEUFMURL-UHFFFAOYSA-N 339.413 1.481 0 40 EDAB Cc1cc(C)cc(OCCOC(=O)c2ccc(S(N)(=O)=O)o2)c1 44917020 AUFFRXBEBVGFEX-UHFFFAOYSA-N 339.369 1.780 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)CC1 44969135 BUEIPBIDSJIBEN-UHFFFAOYSA-N 329.408 1.268 0 40 EDAB Cc1ccnc(-n2c(SCC(N)=O)nc3ccccc3c2=O)c1 10349390 GPBUFOZCPKQYGK-UHFFFAOYSA-N 326.381 1.667 0 40 EDAB COC(=O)CCCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 12521189 UVBHSFBPXQHEEU-UHFFFAOYSA-N 342.417 1.521 0 40 EDAB C[C@@H]1CCCN(C(=O)CCNC(=O)CNC(=O)c2ccsc2)C1 58311079 RVZXEYFFMLJNMI-GFCCVEGCSA-N 337.445 1.243 0 40 EDAB O=C1OCC[C@@H]1Sc1nnc(N2CCCC2)n1C[C@@H]1CCCO1 58394040 DXYFVHNZCOZGRP-RYUDHWBXSA-N 338.433 1.465 0 40 EDAB CCN(Cc1nc2c(c(=O)[nH]c(=O)n2C)n1C)c1ccc(C)cc1C 58343661 VXTHZCFVJJVRCN-UHFFFAOYSA-N 341.415 1.604 0 40 EDAB C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)NCC(F)(F)F 12516307 GVRNMKXJFVAXFH-HTQZYQBOSA-N 331.294 1.885 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cn(-c2ccccc2Cl)nn1 58810431 MQKMQKBTTFUKCA-QWRGUYRKSA-N 347.806 1.647 0 40 EDAB O=C(N[C@]1(C(F)(F)F)N=C2SCCN2C1=O)c1ccccc1F 2348548 QWUIXGGNOPJCID-LBPRGKRZSA-N 347.293 1.759 0 40 EDAB O=C(CN1CCC[C@H]1Cc1ccccc1)N[C@@H]1CCCCNC1=O 46054112 PDYKVNBLOLGQGE-DLBZAZTESA-N 329.444 1.478 0 40 EDAB C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)n1cncn1 29758988 SYYSAOUJOHFTCT-AWEZNQCLSA-N 341.415 1.118 0 40 EDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccncc2)cc1 20245651 YBXBXHZERVAAFS-UHFFFAOYSA-N 348.428 1.254 0 40 EDAB COc1cccc(COCC(=O)N[C@@H](C(N)=O)c2ccccc2)c1 46758506 HUICRDYKEDSELU-QGZVFWFLSA-N 328.368 1.555 0 40 EDAB C[C@H]1CCCN(CCNC(=O)C2CCN(C(=O)c3ccco3)CC2)C1 46878842 CNWYKWWVRDGGOF-HNNXBMFYSA-N 347.459 1.980 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2sccc2-n2cnnn2)C1 46899410 WLEJRHIEDMHATR-SNVBAGLBSA-N 335.389 1.139 0 40 EDAB CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cnc2[nH]nc(C)c2c1 95461396 WKEMHILCGAWGPM-ABKXIKBNSA-N 333.392 1.118 0 40 EDAB O=C(Nc1ccn[nH]1)C(=O)NC1CCN(Cc2ccccc2)CC1 61717691 PWUXYAGQCDEKDD-UHFFFAOYSA-N 327.388 1.129 0 40 EDAB Cc1cccc2c(CCNS(=O)(=O)N3CCOC[C@H]3C)c[nH]c12 95407623 OYXWTAJLEQPRCO-CYBMUJFWSA-N 337.445 1.574 0 40 EDAB NC(=O)c1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 3291012 VPUQDPVTCAVRBU-UHFFFAOYSA-N 333.731 1.629 0 40 EDAB Cc1cc(CC(=O)NCCOc2ccc(C(F)(F)F)cn2)n[nH]1 95415732 XGWVPABZBYWWJT-UHFFFAOYSA-N 328.294 1.870 0 40 EDAB NC(=O)c1ccc(COC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 12785699 HWKUGYOBLXJZBW-UHFFFAOYSA-N 326.308 1.473 0 40 EDAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1cc(F)cc(F)c1 12748430 WBMURXMUCHZUJN-UHFFFAOYSA-N 345.305 1.997 0 40 EDAB C[C@H](C(=O)N1CCCCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100769072 NFCZNHLXKGLFKM-JUSDVALNSA-N 328.412 1.441 0 40 EDAB Cn1cc([C@H]2C[C@H](c3ccc4c(c3)OCCO4)Nc3ncnn32)cn1 48354365 LJRIPOJMBMAYTA-ZIAGYGMSSA-N 338.371 1.929 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)n(C)n1 95445862 SWOYDWNSVSNYKR-CYBMUJFWSA-N 330.363 1.793 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)c1ccc(OCc2noc(C)n2)cc1 12876602 KABPVJXWUQDBKQ-JTQLQIEISA-N 332.360 1.211 0 40 EDAB COc1cc(C(=O)OCC(=O)N2CCOCC2)cc(Cl)c1OC 3440941 HLHAHJMMIMKYTO-UHFFFAOYSA-N 343.763 1.373 0 40 EDAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(N)=O)ccc1C 3426601 NJNPDGKXZLNUCA-LLVKDONJSA-N 342.417 1.056 0 40 EDAB CC[C@]1(C)NC(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C1=O 12917195 RKXFOJKTRHTPHQ-BBRMVZONSA-N 340.807 1.938 0 40 EDAB CSCc1nc2ccccc2n1CC(=O)N1CCN(C(C)=O)CC1 29899363 GOBBWCXTLJZOPB-UHFFFAOYSA-N 346.456 1.590 0 40 EDAB CC(=O)N[C@@H](CC(=O)N1CCC(CC(N)=O)CC1)c1ccc(C)cc1 49394850 RVIQHJGOXFUGIF-KRWDZBQOSA-N 345.443 1.676 0 40 EDAB CC(C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)O 4088166 LXBVBFJMDGMTLK-HUBLWGQQSA-N 334.397 1.482 0 40 EDAB biogenic O=C(CN1C(=O)COc2ccccc21)N[C@@H](CO)c1ccccc1 95983080 XQCJTIOFGNFYIH-AWEZNQCLSA-N 326.352 1.262 0 40 EDAB CC(C)c1nn(C)c(N(C)C)c1CNCC(=O)NCC(F)(F)F 65474756 NUXGMUBPOOUVPV-UHFFFAOYSA-N 335.374 1.378 0 40 EDAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1CC(=O)NC(=O)NC(C)(C)C 65553901 RLDIBAKUGAEGTC-DGCLKSJQSA-N 346.431 1.478 0 40 EDAB CN(Cc1ccccc1)C[C@H](O)Cn1cnc2sccc2c1=O 65515338 MTIPCRAKDCDPFT-AWEZNQCLSA-N 329.425 1.951 0 40 EDAB O=C(C1CC1)N1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1 14161701 VLBZACFQBZPJOL-UHFFFAOYSA-N 328.368 1.553 0 40 EDAB CCOC(=O)[C@H]1CCCN(CC(=O)NC(=O)NC2CCCCC2)C1 6612837 YGBTZUXCWGNXQS-ZDUSSCGKSA-N 339.436 1.420 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 222434781 XEZKCNMSNGAXPL-HPTBWKMGSA-N 334.347 1.023 0 40 EDAB O=C(CCNC(=O)c1ccco1)NC[C@]1(O)CCCc2ccccc21 66931589 HVUHLOWEENCKMV-LJQANCHMSA-N 342.395 1.740 0 40 EDAB CNC(=O)NC(=O)COc1ccc(I)cc1 7034718 DSCQBIWOGZOWKZ-UHFFFAOYSA-N 334.113 1.126 0 40 EDAB Cc1noc(C)c1CN1CCN(C[C@H](O)COc2ccccc2)CC1 67410882 KCTALIXHSZFFMU-KRWDZBQOSA-N 345.443 1.849 0 40 EDAB CNC(=O)c1ccc(CN(CC(=O)Nc2cc(C)no2)C2CC2)cc1 25195785 UPNYNQWZJVYUTP-UHFFFAOYSA-N 342.399 1.946 0 40 EDAB CC(C)CCNC(=O)NC(=O)CSc1nnc(C2CC2)n1C 7235364 BMCQFAUBHWYZNK-UHFFFAOYSA-N 325.438 1.657 0 40 EDAB Cn1ccnc1[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccccc1 96472392 RRCMGAQUZVIPEI-JKSUJKDBSA-N 349.456 1.998 0 40 EDAB C[C@@H](C(=O)Nc1ccccc1F)N1CCN(C(=O)[C@@H]2CCCO2)CC1 16378930 CYLCPMKFKXVQOS-BBRMVZONSA-N 349.406 1.476 0 40 EDAB CCc1ncncc1C(=O)N1CCN(Cc2nc(C(C)C)no2)CC1 71839636 MASITEWWPBQDRO-UHFFFAOYSA-N 344.419 1.503 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc3ccccc3n2C)CC1 71881867 VJNUETSWEVFPDI-MRXNPFEDSA-N 345.443 1.334 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2cccc(F)c2)CC1 71803117 RFKFOSTVDYXLLE-CYBMUJFWSA-N 348.422 1.320 0 40 EDAB CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 70040236 MRGGSWKTLUIGDG-AWEZNQCLSA-N 339.417 1.435 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cccc(OCC(N)=O)c1 71880593 VMVBNWLIOBZGDI-MSOLQXFVSA-N 345.443 1.526 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCN(CCc3cccs3)CC2)cn1 71841469 ULVLAPHWJNJUEL-IAGOWNOFSA-N 344.484 1.972 0 40 EDAB N#Cc1cc([N+](=O)[O-])ccc1NCC/N=C(\O)c1ncccc1O 71893774 LMODVVNOLDVQFV-UHFFFAOYSA-N 327.300 1.984 0 40 EDAB Cc1ccnc2nc(C(=O)OCC(=O)NC3CCC(C)CC3)nn12 8394460 SWZJNQSIBOQHPC-UHFFFAOYSA-N 331.376 1.284 0 40 EDAB CC(=O)N1CCC(CN2CCN([C@@H](C)c3nc(C)no3)CC2)CC1 69444431 ZILXPANKMFAEMI-ZDUSSCGKSA-N 335.452 1.315 0 40 EDAB CCc1nn2c(=O)cc(CN[C@H](C)Cn3cc(C)cn3)nc2s1 69597987 QGEYFFHVGWUWNG-LLVKDONJSA-N 332.433 1.397 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CC[C@@H](c3ccccc3C)C2)CC1 69588661 PAVSADAZABSCBX-QGZVFWFLSA-N 329.444 1.475 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@H]1Oc3ccccc3O[C@@H]1C)C2 69653623 XHZHJRLMLLHECL-BZNIZROVSA-N 328.372 1.411 0 40 EDAB Cc1ccccc1-n1c(S[C@H](C)C(N)=O)nnc1N1CCOCC1 17840362 ORFMRZSLXGKTOI-GFCCVEGCSA-N 347.444 1.378 0 40 EDAB Cc1ccc(C(=O)NCCc2csc(NS(C)(=O)=O)n2)cc1 21752766 XJKQXSKZNBBSAK-UHFFFAOYSA-N 339.442 1.796 0 40 EDAB C[C@H](O)CN1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 69776762 WLFCRMYHDSXVOU-ILZDJORESA-N 348.487 1.440 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)N(CCOC)CCN(C)C)cc1 69743667 TVISAPLQFUYMOZ-JXMROGBWSA-N 333.432 1.096 0 40 EDAB C[C@H](SCc1cccc(F)c1F)C(=O)N[C@H]1CCS(=O)(=O)C1 9690745 HUAKVYVXURVDMI-ONGXEEELSA-N 349.424 1.890 0 40 EDAB Cc1cc(N2CCCC[C@@H]2Cn2nc(C)nc2C)n2ncnc2n1 69871765 WJFOTZDTEGDUJG-CQSZACIVSA-N 326.408 1.700 0 40 EDAB O=C(N1CCOCC1)N1CCN(CCCCCn2cccn2)CC1 69816204 AJKALTOHINFXEQ-UHFFFAOYSA-N 335.452 1.123 0 40 EDAB COC(=O)N1CCC[C@H](C(=O)NCCCNC(=O)c2ccccc2)C1 69968528 BQTZFSLTJKBKSB-HNNXBMFYSA-N 347.415 1.401 0 40 EDAB CC1(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)Cc2ccccc2C1 92613930 OCNUBWONFGZPOO-OAHLLOKOSA-N 336.457 1.332 0 40 EDAB Cn1cc(CN2CCCC[C@@H]2Cc2ccccc2)c(=O)n(C)c1=O 92759864 VSSLAJVOUFVJEP-QGZVFWFLSA-N 327.428 1.681 0 40 EDAB CC(C)NC(=O)[C@H](c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 71186409 CNSVCDKFLHGWRH-ROUUACIJSA-N 342.443 1.850 0 40 EDAB Cc1cc(OCC(=O)Nc2ncn[nH]2)c2c(C)c(C)c(=O)oc2c1 9050756 FOILPLYXUAGEAC-UHFFFAOYSA-N 328.328 1.854 0 40 EDAB C[C@@H](CNC(=O)N[C@H]1CC(C)(C)OC1(C)C)CN1CCN(C)CC1 97048263 HVCWFBLVAOKYEI-GJZGRUSLSA-N 340.512 1.515 0 40 EDAB C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[C@H]1c1ccccc1 97032199 DPQAYIGLTRAAAV-GDBMZVCRSA-N 338.473 1.920 0 40 EDAB Cn1c(CO)cnc1S(=O)(=O)Cc1cc(-c2cccs2)on1 95988619 DYGDNGNZJXLCCJ-UHFFFAOYSA-N 339.398 1.603 0 40 EDAB CCc1nc([C@@H]2CCCN2CC(=O)Nc2c(C)nn(C)c2C)no1 72279341 HSEHKOOLJWILCO-LBPRGKRZSA-N 332.408 1.758 0 40 EDAB 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1.599 0 40 EDAB Cc1nnc(C[C@H]2CO[C@@H]3CN(C(=O)Cc4ccccc4C)C[C@@H]32)o1 96216418 BBPFMTIEAJSPJH-GVDBMIGSSA-N 341.411 1.945 0 40 EDAB Cc1nc([C@@H](NC(=O)c2nc(C)sc2C)c2cnn(C)c2)no1 585087732 LQPSTNZRPCNXLA-LBPRGKRZSA-N 332.389 1.704 0 40 EDAB O=C(CN1C(=O)c2ccccc2Oc2ncccc21)NCCCO 96118885 KOINHVAQELYZQH-UHFFFAOYSA-N 327.340 1.333 0 40 EDAB NC(=O)COc1coc(CN2CCC(c3ccccc3)CC2)cc1=O 95476568 JOQKQDLOYKBGMI-UHFFFAOYSA-N 342.395 1.884 0 40 EDAB O=C1NC2(CCN(C(=O)c3cscn3)CC2)C[C@@H]1c1ccncc1 96069645 JCYIGIJDCXEBGI-CYBMUJFWSA-N 342.424 1.817 0 40 EDAB CCc1ocnc1C(=O)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 96449537 RPHAPIVPDZTMCQ-CQSZACIVSA-N 348.447 1.396 0 40 EDAB O=C(c1cccnc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 96057977 FKFTXHXPUOXLJK-GVDBMIGSSA-N 325.368 1.928 0 40 EDAB Cc1cc2ncn(CC(=O)NC[C@@H]3CCS(=O)(=O)C3)c2cc1C 96475551 XUOZCMJZRFBPOS-ZDUSSCGKSA-N 335.429 1.204 0 40 EDAB O=S1(=O)CC[C@H](N2CCN(c3cccc(C(F)(F)F)n3)CC2)C1 96482682 GMLVYENFDBKEJN-NSHDSACASA-N 349.378 1.410 0 40 EDAB 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O=C(CSc1ccc(NC(=O)C2CC2)nn1)NC[C@@H]1CCCO1 13701967 UEICCRCGGOBDDU-NSHDSACASA-N 336.417 1.212 0 40 EDAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCCC[C@H]1C(N)=O 9640590 UPQUDMHUYQZXCS-ZDUSSCGKSA-N 347.806 1.709 0 40 EDAB CSc1nc(C)cc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)n1 1889108974 XDYMJLNFRNNSCH-NSHDSACASA-N 342.490 1.558 0 40 EDAB FC(F)(F)c1ccc(N2CCN(c3ccc4nccn4n3)CC2)nn1 1889136173 PRIHXRDOYCQTQU-UHFFFAOYSA-N 349.320 1.865 0 40 EDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CC(Nc2ncccn2)C1 239593090 DOOFCVAUXNDSGO-UHFFFAOYSA-N 342.783 1.754 0 40 EDAB C[C@H]1CN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)C[C@H](C)O1 4276369 PNFGTQKWBFGTMM-BCUIYNNISA-N 329.462 1.821 0 40 EDAB CC1(C)C[C@]2(C)N(CC(=O)NN2c2ccc(C(=O)O)cc2)C(=S)N1 4776469 IEOOHZJLYSOAMU-MRXNPFEDSA-N 348.428 1.311 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)NCc1nc(-c2cccn2C)no1 225767215 NLYCQGZMVLXYJK-UHFFFAOYSA-N 328.376 1.664 0 40 EDAB COc1cc(N2CC[C@@H]3OCC[C@H](C(=O)NCC4CC4)[C@H]3C2)ncn1 503853110 XXLZZWIPCNFUCN-ZNMIVQPWSA-N 346.431 1.243 0 40 EDAB Cn1cc(S(=O)(=O)NCc2nccnc2-c2ccsc2)cn1 575619098 LXHOIVUITCLKFZ-UHFFFAOYSA-N 335.414 1.417 0 40 EDAB O=C(NCCOCCn1cccn1)c1ccc(C(F)(F)F)nc1 575619090 GMRILWXYSBSWAP-UHFFFAOYSA-N 328.294 1.744 0 40 EDAB COCCNC(=S)NCCc1cc2cc(C)c(C)cc2[nH]c1=O 4225321 LMLCPPUBTPNEDR-UHFFFAOYSA-N 333.457 1.798 0 40 EDAB NCCn1nc([C@H]2CCN(C(=O)C[C@@H]3C=CCC3)C2)c2nccnc21 19404344 YUWHSGZSRVJYKT-KGLIPLIRSA-N 340.431 1.457 0 40 EDAB C[C@@H](Nc1nnnn1-c1ccccc1)c1ccc(S(N)(=O)=O)cc1 7780868 RCEWYAOHMITCPF-LLVKDONJSA-N 344.400 1.483 0 40 EDAB COCCN(CCOC)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 50062555 OJZKNJDIKJZPPO-UHFFFAOYSA-N 336.392 1.004 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)C1=NN(C)C(=O)CC1)CC2 31035114 ZOFRXMLFPUHFSY-UHFFFAOYSA-N 331.372 1.197 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)CCCC3)CCO1 50857190 AOOLCBKXRPVVBF-INIZCTEOSA-N 339.395 1.440 0 40 EDAB CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cn1 31604858 VMJNYQFIGMYNMU-ZDUSSCGKSA-N 339.399 1.530 0 40 EDAB C[C@H](C(=O)NCc1ccc(OCc2cccnc2)cc1)S(C)(=O)=O 40540959 YCRUZBAMDVHPNQ-CYBMUJFWSA-N 348.424 1.710 0 40 EDAB Cn1c(=O)c2nc3oc(-c4ccc(Cl)cc4)cn3c2n(C)c1=O 101206973 KVTDUVCNQFOURP-UHFFFAOYSA-N 330.731 1.798 0 40 EDAB O=C(NCCc1cccnc1)c1cccc(N2CCCS2(=O)=O)c1 32349464 IVENNBKGTTVEDM-UHFFFAOYSA-N 345.424 1.594 0 40 EDAB COc1ccc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)cc1C(N)=O 32591526 UUJXAKXQLSZNMM-UHFFFAOYSA-N 346.368 1.471 0 40 EDAB Cc1oc(C)c(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1C 52773394 ARSTVMKHDORXJM-CQSZACIVSA-N 340.445 1.150 0 40 EDAB CC(=O)Nc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 22685623 MVZQWSNNJKSIFH-MRXNPFEDSA-N 340.383 1.863 0 40 EDAB NC(=O)c1cnc(N2CCN(C(=O)c3ccoc3)CC2)c(Cl)c1 54057592 LVNSNASYVJWTSJ-UHFFFAOYSA-N 334.763 1.389 0 40 EDAB CCOC(=O)[C@H]1[C@@H](c2ccc(C)o2)NC(=O)N[C@]1(O)C(F)(F)F 195932 UWOHORAGMGQHGO-KBVBSXBZSA-N 336.266 1.372 0 40 EDAB O=C(NCCNS(=O)(=O)c1ccccc1Cl)c1ccco1 24442942 RJNMWQXAQNFUJA-UHFFFAOYSA-N 328.777 1.641 0 40 EDAB COc1ccc(NC(=O)CCc2c(C)nn3cnnc3c2C)cn1 71285665 ZXIFEEHHWCMYDE-UHFFFAOYSA-N 326.360 1.716 0 40 EDAB COc1cccc([C@@H]2CCCN2C(=O)CCNS(C)(=O)=O)c1 47669013 OKNYRCAZQVKUAF-AWEZNQCLSA-N 326.418 1.298 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cc(C(N)=O)cs3)CCO2)n1 78890268 KQEXNEMGFHSKSA-SNVBAGLBSA-N 349.416 1.131 0 40 EDAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCO[C@H](CNc2cccnn2)C1 78894109 ULIMXFLHMSANRZ-OWCLPIDISA-N 347.463 1.379 0 40 EDAB Cc1nc([C@@H](NC(=O)c2nccn3ccnc23)c2ccccc2)n[nH]1 78964634 DLRXOKXQMLBGIT-ZDUSSCGKSA-N 333.355 1.675 0 40 EDAB CN1C[C@@H](C(=O)/N=c2\[nH]c3ccccc3n2-c2ccccc2)CC1=O 79316544 ZNXILNMTHPNFMV-ZDUSSCGKSA-N 334.379 1.864 0 40 EDAB Cc1cc2c(cc1C)O[C@H](C(=O)NCC(=O)Nc1cccnc1)C2 79900647 ZLTLXNCIOCVTHU-INIZCTEOSA-N 325.368 1.757 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(N2CCOCC2)cc1 106519132 UKVRPECLPXVQAW-ROUUACIJSA-N 345.443 1.116 0 40 EDAB O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3[nH]ncc23)CC1 12556505 YHYQOBMSKRNCLU-UHFFFAOYSA-N 335.371 1.837 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)C1 106830285 KDHDHMLJNFLBRL-QWHCGFSZSA-N 334.395 1.169 0 40 EDAB COCCNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 6301235 JIQFKJJLZXSBDL-ZDUSSCGKSA-N 328.434 1.221 0 40 EDAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(-n3cnnn3)cc2)s1 25356845 CKGKMAUXZOEAOD-UHFFFAOYSA-N 342.384 1.401 0 40 EDAB CCOC(=O)c1ncn2c(N)c(C(=O)Nc3ccc(C)cc3)nnc12 1409204 WUMOTDWQGHHJHW-UHFFFAOYSA-N 340.343 1.444 0 40 EDAB Cc1ccc(C)c2c(C)c(C(=O)N3CCN(CC(N)=O)CC3)oc12 56968320 AHWJBGSKSQYTOU-UHFFFAOYSA-N 329.400 1.601 0 40 EDAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)CS2 26329755 QSHJWTBNYQYIIU-NHYWBVRUSA-N 332.385 1.249 0 40 EDAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 108523348 LZMUKDFGKJKUTL-AJNGGQMLSA-N 342.395 1.461 0 40 EDAB biogenic O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 100069330 DQCKKXVULJGBQN-XWPNQZOQSA-N 341.407 1.525 0 40 EDAB in-man Cc1ccc([C@H](CNC(=O)NCc2ccccn2)N2CCOCC2)o1 44889553 UZVYBMUJFFDMNW-INIZCTEOSA-N 344.415 1.856 0 40 EDAB C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 58279579 VBENGQVRURLJRY-IUODEOHRSA-N 335.433 1.862 0 40 EDAB Nc1nnc(S[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)s1 102242088 YNFVBFNRHJBGTB-QMMMGPOBSA-N 342.352 1.823 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)no1 53887190 HNEOJLZLLLJEKS-RRFJBIMHSA-N 346.431 1.502 0 40 EDAB C[C@H](NC(=O)c1ccoc1)c1ccc(-n2cc(C(N)=O)nn2)cc1 45790110 WVBDIMOHOOKIMH-JTQLQIEISA-N 325.328 1.450 0 40 EDAB CS(=O)(=O)NCCNC(=O)NCc1cccc(C(F)(F)F)c1 29316761 FYBDESHWDJQLCI-UHFFFAOYSA-N 339.339 1.054 0 40 EDAB COCCNC(=O)NC(=O)CNc1ccc(C)c(C(F)(F)F)c1 11704583 WJXNSGCPPDNIKR-UHFFFAOYSA-N 333.310 1.898 0 40 EDAB c1cc(CN2CCOC[C@]3(C2)CN(C[C@H]2CCOC2)CCO3)ccn1 107237445 NIZUIXPMYNVJKN-MOPGFXCFSA-N 347.459 1.021 0 40 EDAB C[C@H](CNC(=O)c1ccc(Br)s1)N1CCOCC1 46269560 MKUCADNOIZFKLR-SECBINFHSA-N 333.251 1.961 0 40 EDAB Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCOC[C@H]1CCO 95460858 UYDBJDHKVZWJHN-MRXNPFEDSA-N 349.431 1.447 0 40 EDAB C[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccco1)C(=O)O 2949606 OPKYTNQEKONRQZ-KBICQTFXSA-N 328.324 1.640 0 40 EDAB COCCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 48167478 SPNRGWMTXCMBPT-SSDOTTSWSA-N 335.223 1.392 0 40 EDAB Cc1nnc([C@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)o1 48274687 UATVBGTVZMJPJK-LBPRGKRZSA-N 330.388 1.986 0 40 EDAB Cc1ccc([C@@](O)(CCNc2ccc3nnnn3n2)C(F)(F)F)o1 22406402 IYPRJTXSXUWCBA-LBPRGKRZSA-N 342.281 1.673 0 40 EDAB CC(C)COC1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 119608758 LQUOQOOTLNZWGX-KBPBESRZSA-N 334.482 1.477 0 40 EDAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCCCC1 12855618 XRJVVGLVXXEKQX-LJQANCHMSA-N 341.411 1.998 0 40 EDAB Cn1cccc1[C@H](CNC(=O)c1ccc(F)cc1)N1CCOCC1 21152186 JRPRJPCBUHYUJC-KRWDZBQOSA-N 331.391 1.968 0 40 EDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3419772 MIHFXDXVXNTOHK-SGTLLEGYSA-N 329.400 1.541 0 40 EDAB O=C1CN(c2ccc(NC(=O)c3ccc4c(c3)COC4)cc2)CCN1 64389560 ZDFSOUXLOQVEJL-UHFFFAOYSA-N 337.379 1.905 0 40 EDAB CCOC(=O)C[C@]1(O)CSc2nc3sc(C)c(C)c3c(=O)n21 4200635 WJBKLQMNCIGGAI-AWEZNQCLSA-N 340.426 1.779 0 40 EDAB C[C@H](NC(=O)NCCc1cccnc1)c1ccc(S(N)(=O)=O)cc1 65440473 JDLSBFUQCKLAQH-LBPRGKRZSA-N 348.428 1.332 0 40 EDAB O=C(NCCN1CCS(=O)(=O)CC1)c1occc1-c1ccccc1 65493418 QJGLGZZJPOBVHE-UHFFFAOYSA-N 348.424 1.407 0 40 EDAB CCOc1ccc(-c2nnc(SCC(=O)NCCOC)o2)cc1 5391743 QACURSRBNWZXMC-UHFFFAOYSA-N 337.401 1.990 0 40 EDAB CC(C)N1C(=O)C(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)C1=O 6436061 WZFLUSBFBJCNPN-NSHDSACASA-N 329.356 1.163 0 40 EDAB CC[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(C)cc1 9313863 REDJONKBQVMBFF-OAHLLOKOSA-N 339.399 1.706 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN(C[C@H](O)c2cccc(Cl)c2)C1 72631778 LOGUKYAHHLULIZ-FZMZJTMJSA-N 332.853 1.374 0 40 EDAB COC(=O)N1CCCN(Cn2nc(N(C)C)sc2=S)CC1 66449154 QKWGHOGSTUGDLY-UHFFFAOYSA-N 331.467 1.472 0 40 EDAB O=C1CN(C(=O)COC(=O)Cc2ccccc2F)c2ccccc2N1 5780886 AOLSXBBYEAMLES-UHFFFAOYSA-N 342.326 1.897 0 40 EDAB COc1cc(CN[C@H]2CCCc3c2cnn3CCO)cc2c1OCO2 71792554 LLTFLYRTTHQZNL-AWEZNQCLSA-N 345.399 1.780 0 40 EDAB COc1cc(CN[C@@H]2CCCc3c2cnn3CCO)cc2c1OCO2 71792553 LLTFLYRTTHQZNL-CQSZACIVSA-N 345.399 1.780 0 40 EDAB C[C@]1(c2ccc(NC(=O)c3cncc(O)c3)cc2)NC(=O)NC1=O 95395216 ONYDISZPGHZIFX-MRXNPFEDSA-N 326.312 1.094 0 40 EDAB CN(c1ccc2nccnc2n1)[C@H]1CCN(CC(F)(F)F)C1=O 95395783 PRBNPTPPPJPQCB-JTQLQIEISA-N 325.294 1.624 0 40 EDAB Cc1ccc([C@@H](CNC(=O)CCN2C(=O)CCC2=O)N(C)C)cc1 67268546 TZCXVVNRNLHOMF-OAHLLOKOSA-N 331.416 1.253 0 40 EDAB O=C(COc1ccc(Cl)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1 7191732 DXKKZVJJVTZQPF-QMMMGPOBSA-N 338.212 1.676 0 40 EDAB Cc1cc(S(=O)(=O)N(C)CC(=O)N(C)C)ccc1Br 7309388 KZCQIFFDKGNBPB-UHFFFAOYSA-N 349.250 1.466 0 40 EDAB CNC(=O)NC(=O)CN(C)Cc1cc(Br)ccc1OC 7460505 ZRLMONWDALHHAT-UHFFFAOYSA-N 344.209 1.345 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc(C)cc3cn[nH]c23)CC1 71881881 WYCHVUFFOKSKIQ-OAHLLOKOSA-N 346.431 1.027 0 40 EDAB C[C@H](O)CN1CCN(C(=O)COCc2ccccc2Cl)CC1 71871300 LWRIZLPDVZGBDI-ZDUSSCGKSA-N 326.824 1.382 0 40 EDAB Cc1cc(C)n([C@@H](C)C(=O)N2CCN(Cc3ccncc3)CC2)n1 71828048 CRFVAWYNFMQZAP-INIZCTEOSA-N 327.432 1.800 0 40 EDAB O=C(NCCS(=O)(=O)NCC1CCC1)C1(c2ccccc2)CC1 68494940 GINHNMQTCLCEIW-UHFFFAOYSA-N 336.457 1.554 0 40 EDAB Cc1ccccc1CC(=O)NCCS(=O)(=O)N1CCSCC1 71884341 URMWOZLCHRZDIH-UHFFFAOYSA-N 342.486 1.032 0 40 EDAB CN(C)Cc1ccc(C(=O)N2CCCN(c3cccnn3)CC2)cc1 71860368 GVEPDTFLTSAMKT-UHFFFAOYSA-N 339.443 1.891 0 40 EDAB O=C(CO)Nc1cccc(N[C@@H]2CCN(c3ccccc3F)C2=O)c1 71900713 UEURBZYMYDGNMH-OAHLLOKOSA-N 343.358 1.974 0 40 EDAB CCOc1cc2c(cc1Cn1cnc3c(cnn3C)c1=O)O[C@H](C)C2 71909630 UMWDKSQKSKMMQM-LLVKDONJSA-N 340.383 1.900 0 40 EDAB O=C([C@H]1CCCN1c1cncc(Br)c1)N1CCOCC1 95407751 RXCPWDSYAJSVDC-CYBMUJFWSA-N 340.221 1.672 0 40 EDAB O=C(CNC(=O)NCc1ccccc1)NCCc1ccc(F)cc1 16640412 SPJRBMJUPIRMTG-UHFFFAOYSA-N 329.375 1.984 0 40 EDAB COc1cccc(S(=O)(=O)CCN2CCC3(CC2)OCCO3)c1 69384714 FLCKDNFUCMGIKU-UHFFFAOYSA-N 341.429 1.308 0 40 EDAB O=C(NCc1ccc(N2CCCCC2)nc1)N[C@@H]1CCCNC1=O 69536571 GQDAEUOSLLHYIH-CQSZACIVSA-N 331.420 1.150 0 40 EDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cn1ncc3ccccc31)CC2 95400582 NVUZQPLGFDRSAM-DLBZAZTESA-N 343.427 1.815 0 40 EDAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(c2=O)CCCN3)cc1 69699664 FXYGUHDCYIGCJM-UHFFFAOYSA-N 342.355 1.027 0 40 EDAB CN(C)S(=O)(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 69898080 NWGXUURYYNWEFI-UHFFFAOYSA-N 347.444 1.072 0 40 EDAB Cc1sc(Br)cc1S(=O)(=O)N1CC(C)(O)C1 87308063 ZTKCCZQCIVDXSY-UHFFFAOYSA-N 326.237 1.574 0 40 EDAB c1ccc2oc(CCCN3CCO[C@@H](Cn4cncn4)C3)nc2c1 69975983 FAGSQNPULOSPNN-CQSZACIVSA-N 327.388 1.753 0 40 EDAB COCCN1CCN(CC(=O)N(C)[C@@H](C)c2cccs2)CC1 69969915 JZXOAQOZPQOKER-AWEZNQCLSA-N 325.478 1.532 0 40 EDAB Cn1cc([C@H]2CN(S(=O)(=O)Cc3cccc(F)c3)CCO2)cn1 97012756 OFRGGWFHIYITJX-OAHLLOKOSA-N 339.392 1.463 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCOC[C@@H]3CCO)cc2)n1 92435339 OWHZCTLIWOOBIW-SFHVURJKSA-N 343.427 1.772 0 40 EDAB CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 72293160 AXNRPKQRISGBLA-YJYMSZOUSA-N 346.427 1.863 0 40 EDAB CCn1cnnc1CNC(=O)N1CCN(CCc2ccccc2)CC1 95950774 FJXZOAJHBJFAPZ-UHFFFAOYSA-N 342.447 1.368 0 40 EDAB CCS(=O)(=O)N1CCN([C@H]2CCc3c(F)ccc(F)c32)CC1 89274361 OMJIRCBJOOJVQU-AWEZNQCLSA-N 330.400 1.919 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCC[C@H](n2cncn2)C1 76041453 IYJNHLYFSYSKEX-DOMZBBRYSA-N 330.436 1.671 0 40 EDAB C[C@@H](Oc1ccccc1F)C(=O)NN1C(=O)NC2(CCCCC2)C1=O 23187342 JAJVPPBRYQWSLB-LLVKDONJSA-N 349.362 1.879 0 40 EDAB CC(C)CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245317 VTCXPOQFZFOWLK-UHFFFAOYSA-N 345.440 1.601 0 40 EDAB O=C1CCC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)N1 1007570290 RFKHHQVBFIKRFC-GDBMZVCRSA-N 333.407 1.575 0 40 EDAB COc1ccc(C(C)=O)cc1CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 39996809 BJUXPDOKJWTJCF-AWEZNQCLSA-N 339.413 1.086 0 40 EDAB COCCNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 70722912 FCQAOXUZRPDGLP-UHFFFAOYSA-N 326.396 1.697 0 40 EDAB COc1ccc([C@@H]2[C@H](C(=O)N3CCN(C)CC3)CCC(=O)N2C)cc1 72242062 CIHKICFBVGFCDJ-SJLPKXTDSA-N 345.443 1.379 0 40 EDAB Cn1ccnc1CNC(=O)CCc1cccc(C2CCNCC2)n1 72366880 MQBVKWOBVFHLSO-UHFFFAOYSA-N 327.432 1.531 0 40 EDAB O=C(NCC(=O)N1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 78611401 QNKMLFPDFPBCQJ-UHFFFAOYSA-N 349.406 1.405 0 40 EDAB COC[C@]1(C(N)=S)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218462434 IACDCIOXDGHDNU-MDZLAQPJSA-N 333.862 1.769 0 40 EDAB Cn1nc(C(=O)N2CCCC2)c(F)c1NC(=O)Cc1ccccc1 41070624 AHTLFZCCKRDJSJ-UHFFFAOYSA-N 330.363 1.976 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)O)c(C)n2)cc1 49468465 NFVKCUOCFRYVMX-UHFFFAOYSA-N 335.385 1.612 0 40 EDAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](C)c2nccc(N)n2)c1 567658777 GRMUKUFJFGOSCN-CMPLNLGQSA-N 328.372 1.906 0 40 EDAB CCN1CCN(C(=O)c2snnc2-c2cccc(OC)c2)CC1 225767847 LGHKJSHXMHMICJ-UHFFFAOYSA-N 332.429 1.991 0 40 EDAB CCN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 44844137 CFQZRCXGKWCPEN-UHFFFAOYSA-N 345.852 1.489 0 40 EDAB C[C@@H](CN=c1c(C(=O)O)c[nH]c2ccccc12)N1CCN(C)CC1 574042713 AVMUEFCEFKEQEZ-ZDUSSCGKSA-N 328.416 1.403 0 40 EDAB Cn1cccc1-c1noc(CNC(=O)c2cc(-c3ccco3)n[nH]2)n1 225764935 VUTJOYIZNBIBRG-UHFFFAOYSA-N 338.327 1.988 0 40 EDAB COC(=O)C1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 198352731 HCNZJHNDASRKKO-UHFFFAOYSA-N 330.384 1.839 0 40 EDAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCC2CC2)cc1 40268140 JXKLCMZQIGYTPF-UHFFFAOYSA-N 326.356 1.116 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccn2)cc1F 226753655 XZNKJCPADHTAKF-UHFFFAOYSA-N 339.348 1.146 0 40 EDAB COC1(CNC(=O)C(=O)NCc2cccs2)Cc2ccccc2C1 225722268 KHMFCGRMKNJNGV-UHFFFAOYSA-N 344.436 1.665 0 40 EDAB Cn1nccc1CCNS(=O)(=O)CCc1ccc2c(c1)CCO2 193492288 WFFGUHPWIZXIJH-UHFFFAOYSA-N 335.429 1.060 0 40 EDAB COc1ccc([C@H](CC(=O)O)CC(=O)NCC(=O)NC(C)C)cc1 226750554 HJRLFJJKRMQWQL-ZDUSSCGKSA-N 336.388 1.284 0 40 EDAB Cc1noc(C)c1C(=O)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 96109054 MKCJXJLYMRENCL-KDOFPFPSSA-N 343.383 1.854 0 40 EDAB O=C1C[C@@H](NC(=O)C2(c3ccccc3)CC2)CN1CC(F)(F)F 96414037 MDDMCGVVXDEXQA-GFCCVEGCSA-N 326.318 1.998 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(CC2CCCC2)Cc2ncn(C)c21 96044883 LNFWECUYAIXXTQ-OAHLLOKOSA-N 334.464 1.614 0 40 EDAB CN(C)CCOC[C@H]1CN(Cc2ccccn2)Cc2ccnn2C1 96188968 SAONKBMGJSGFMV-INIZCTEOSA-N 329.448 1.488 0 40 EDAB Cc1ccc(CN2Cc3nccn3C[C@@H](CN3CCOCC3)C2)o1 96066995 IWOIUFOYTPFXPC-INIZCTEOSA-N 330.432 1.749 0 40 EDAB COc1ccccc1[C@H](NC(=O)CNS(C)(=O)=O)c1ccccc1 96404864 ROKOSEKEHXWCLH-QGZVFWFLSA-N 348.424 1.450 0 40 EDAB C[C@H](c1cccc(F)c1)N1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 96492215 ZNCQCWUUUDNEPE-CJNGLKHVSA-N 348.422 1.574 0 40 EDAB COc1ccc(-c2nccc(N3CC[C@@H](O)C3)n2)c(-n2cccn2)c1 97698898 OLNPQBBNIJZZCW-CYBMUJFWSA-N 337.383 1.909 0 40 EDAB CC(=O)N1CCO[C@@H]2CN(S(=O)(=O)c3cccs3)CC[C@@H]2C1 96249847 ODEDYNXTNIQVIU-CHWSQXEVSA-N 344.458 1.006 0 40 EDAB O=C([C@H]1CCOC1)N1CCN(Cc2ccncc2)c2ncccc2C1 96069208 OAPPMPIJOFVMPO-KRWDZBQOSA-N 338.411 1.862 0 40 EDAB CCN(C)S(=O)(=O)NCc1cnn(-c2ccc(F)cc2F)c1 96444563 JREWUGVUPOROJG-UHFFFAOYSA-N 330.360 1.437 0 40 EDAB CC(=O)Nc1cc(S(=O)(=O)N2CCCC[C@H]2C(C)=O)ccc1F 583651911 VFWAHTLABVYWHK-HNNXBMFYSA-N 342.392 1.916 0 40 EDAB CC(C)Oc1nccnc1NC[C@@H]1CCCN(C)[C@H]1c1cncn1C 583618119 BNMHKYAJPDTAHR-GOEBONIOSA-N 344.463 2.492 0 40 EDAB c1cnn(C[C@@H]2CC[C@]3(COCCN(Cc4nccs4)C3)O2)c1 96160329 OLCIZIKGOPPHPB-HOCLYGCPSA-N 334.445 1.790 0 40 EDAB c1cnc(N2CCC[C@]3(CN(Cc4nccs4)CCO3)C2)cn1 96049139 DJYOPWJBUVKPDH-INIZCTEOSA-N 331.445 1.805 0 40 EDAB CCn1cc(CN2Cc3cccn3[C@@H](COCC(=O)N(C)C)C2)cn1 248051681 XPFIPVUTPIAMHF-QGZVFWFLSA-N 345.447 1.366 0 40 EDAB COc1cc(N2CC3(C2)OCC[C@H]3COCc2ccccn2)ncn1 247916476 WCVRBMGKCDKPOG-AWEZNQCLSA-N 342.399 1.692 0 40 EDAB Nc1nccnc1[C@@H]1CN(C(=O)c2ccc3ncccc3c2)CCO1 257318643 VOWDZKBOCSKSMB-HNNXBMFYSA-N 335.367 1.821 0 40 EDAB Cc1cc(C)nc(Nc2cccc(C3CCN(C(=O)CO)CC3)n2)n1 257208260 BLJHESGYWGJINR-UHFFFAOYSA-N 341.415 1.930 0 40 EDAB COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)[C@@H](C)c1cccs1 252492717 MTQRVONNUQEGSV-KXUCPTDWSA-N 333.431 1.495 0 40 EDAB CN1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C[C@@H]1C(C)(C)C 585139377 QDVOGSIHWVHIPH-CQSZACIVSA-N 339.461 1.136 0 40 EDAB CNc1cc(CC[C@H]2CN(C(=O)c3coc(C)n3)CCO2)ccn1 257254391 KCWBCLWKFPXAAZ-AWEZNQCLSA-N 330.388 1.894 0 40 EDAB CS(=O)(=O)[C@H]1CCC[C@H](NCc2scc3c2OCCO3)C1 585118682 YDIDWBGTTPZUBU-QWRGUYRKSA-N 331.459 1.965 0 40 EDAB C/C(=C\C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)CN1CCOCC1 585121580 SSAYOIXDGIJSPO-JMPLCFMRSA-N 349.475 1.030 0 40 EDAB Cc1nn(CC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c(=O)o1 585121649 VAEYIKUWAKPJBB-CQSZACIVSA-N 344.415 1.268 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)CN(C)Cc2cccnc2)n1 257286958 PNUWEAUIVYBCBC-OAHLLOKOSA-N 329.404 1.145 0 40 EDAB Cn1nccc1-c1nccnc1C[C@@H]1CCCN(S(C)(=O)=O)C1 257324558 WPFZHEFWTGMVJA-LBPRGKRZSA-N 335.433 1.091 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)N1CC[C@](O)(CN2CCCC2)C1 257306955 SWRWBADQEFPKKM-IBGZPJMESA-N 327.428 1.770 0 40 EDAB COc1cc(CCC(=O)N2CCOC[C@H]2c2cc(O)nc(C)n2)on1 257288671 PVCWSULYTNJORG-ZDUSSCGKSA-N 348.359 1.020 0 40 EDAB COCCc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCCC2)n1 604382218 LFWCXGDPUPCWGF-BRSBDYLESA-N 349.475 1.098 0 40 EDAB biogenic,in-vitro CN(C)C(=O)[C@@]1(CCCc2ccccn2)CCCN(CC(N)=O)C1 257251123 JPMAATBOSDPZRH-SFHVURJKSA-N 332.448 1.060 0 40 EDAB COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@]1(CO)O5 253504857 MBCREQDZNVPNRN-VOBQZIQPSA-N 341.407 1.787 0 40 EDAB biogenic,in-vitro CN(C)S(=O)(=O)N(C)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257205383 AYTXQZXVAPOHIB-ILXRZTDVSA-N 346.424 1.225 0 40 EDAB Cc1nccn1CC(=O)N1CCC(c2cc(O)n3nccc3n2)CC1 257272616 NDCDKOCDJOBURX-UHFFFAOYSA-N 340.387 1.346 0 40 EDAB Cc1cc(N)cc([C@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1 257279330 OGCMNGXWKALKLD-MRXNPFEDSA-N 346.431 1.275 0 40 EDAB COC(=O)[C@@H]1CCn2c(nnc2-c2cc(Br)c[nH]2)C1 601044760 QLNHOGGVMGUZIF-SSDOTTSWSA-N 325.166 1.771 0 40 EDAB COC(=O)CCN1CC[C@@H](N2CCC[C@H](c3ccncc3)C2)C1=O 595489136 NTZHXDYQRSJDIE-JKSUJKDBSA-N 331.416 1.425 0 40 EDAB O=C1C(=O)N(C2CCCCC2)C(=O)N1Cc1cccn2ccnc12 1615553680 YCJSPVZXTZHRHN-UHFFFAOYSA-N 326.356 1.958 0 40 EDAB O=C(O)CN(CC1CC1)S(=O)(=O)c1cc(C(=O)O)ccc1F 1616035633 BGPJZABJGRUXSO-UHFFFAOYSA-N 331.321 1.009 0 40 EDAB CCCS(=O)(=O)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 575405728 UZSWCLCEGDYXAV-CQSZACIVSA-N 342.486 1.898 0 40 EDAB O=S1(=O)CC[C@@H](COc2ncccn2)C12CN(C1CCCC1)C2 585103024 KZCQETMJKSUUQV-ZDUSSCGKSA-N 337.445 1.287 0 40 EDAB C[C@@H]1Cc2nnc(COCC3CCC3)n2CCN1Cc1cn[nH]c1 585097728 NMQFXBMCZXZUOY-CYBMUJFWSA-N 330.436 1.765 0 40 EDAB Cc1ccc(C(=O)N2CC[C@](O)(COc3ccc(F)cc3)C2)nn1 585276427 JSJQELKMLGFRSO-QGZVFWFLSA-N 331.347 1.580 0 40 EDAB Cn1cc([C@@H]2CN(C(=O)Nc3ccc4nccn4c3)C[C@H]2CO)cn1 683550372 DARHZFVRLCAILA-ZFWWWQNUSA-N 340.387 1.308 0 40 EDAB O=C(c1cncn1-c1ccccc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269121 DFFHYRPHWQKUOQ-WMZOPIPTSA-N 340.427 1.544 0 40 EDAB CCOc1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1OC 44719451 DXNWYQFPIICNEY-NSHDSACASA-N 327.402 1.258 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776007794 FPSQPPQDDDYCEE-NSHDSACASA-N 343.305 1.455 0 40 EDAB O=C(Cn1cncn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 49958385 NYOVGCNCBMQUSL-UHFFFAOYSA-N 340.309 1.041 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)c1c(C)nn2c(C)cc(C)nc12 59364175 RJGNMJSZPGNDJV-ZDUSSCGKSA-N 332.404 1.972 0 40 EDAB CC(C)Oc1cccc([C@@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)c1 40529511 JHRKJAWVUIXODV-CYBMUJFWSA-N 345.399 1.212 0 40 EDAB C[C@H](C(=O)NCc1ccccc1)S(=O)(=O)c1nnc(C2CC2)n1C 40555247 ZTQSISUXKCNCFY-LLVKDONJSA-N 348.428 1.171 0 40 EDAB Cc1nc(-c2cccc(C(=O)NC[C@@H](C)N3CCOC[C@@H]3C)c2)n[nH]1 78986394 KSMXSRRIOVYPOQ-OLZOCXBDSA-N 343.431 1.619 0 40 EDAB O=C([C@H]1CCCN1C[C@H](O)c1cccc(Cl)c1)N1CCOCC1 75646270 MBVDOIDHRJZFRZ-CVEARBPZSA-N 338.835 1.697 0 40 EDAB CC(C)N1C(=O)C[C@@H](NC(=O)c2ccccc2C(F)(F)F)C1=O 84597436 XLJRZMHEJYNZDL-LLVKDONJSA-N 328.290 1.971 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 42673723 FELXWXUDGLYVEA-QPUJVOFHSA-N 331.388 1.932 0 40 EDAB CCOC(=O)C1=C(CN(Cc2ccccc2)C2CC2)NC(=O)NC1 96993554 DXCBBFCXESTGRQ-UHFFFAOYSA-N 329.400 1.781 0 40 EDAB COC(=O)CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 5003410 SEKFNZPNAMJFCI-FOWTUZBSSA-N 338.363 1.747 0 40 EDAB CN1CCC(N2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)CC1 15674628 FUPUOGWPQJMBTN-SJORKVTESA-N 342.443 1.862 0 40 EDAB biogenic,in-vitro CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 16610205 NQENNHQRORJYHS-LLVKDONJSA-N 344.433 1.239 0 40 EDAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)[C@H]4C[C@H]4C)[C@H]3C2)cc1 19211705 JISCTOQYRNRPJY-WLGNDBIMSA-N 348.468 1.776 0 40 EDAB COCC(=O)N1CCC[C@@H]1C(=O)c1cnn(-c2cccc(F)c2)c1N 19592808 WBVQHVVVQRESEL-CQSZACIVSA-N 346.362 1.414 0 40 EDAB CCCNC(=O)NC(=O)CSc1nnnn1-c1ccc(C)c(C)c1 5392243 JWEKRFVAHUWYNJ-UHFFFAOYSA-N 348.432 1.607 0 40 EDAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(CC(N)=O)CC1 1888903826 UJHKQDGUUIUFNU-UHFFFAOYSA-N 332.379 1.041 0 40 EDAB O=C(c1cncnc1)N1CC2(C[C@@H](NCc3cccnc3)CS2)C1 2056224258 NPPAFSIQULRFNA-OAHLLOKOSA-N 341.440 1.362 0 40 EDAB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)c1cc[nH]c1)CC2 1146882355 BRUFIQDVSQSGAM-HNNXBMFYSA-N 333.432 1.752 0 40 EDAB O=C(CCc1ccc[nH]1)N1CCCn2nnc(CN3CCCC3)c2C1 1565554664 DEIIXQGBBRUSIM-UHFFFAOYSA-N 342.447 1.567 0 40 EDAB CCc1ccccc1NC(=O)CSc1nnc2nc(O)c(C)nn12 4251397 CLBUAEBUMIJRNU-UHFFFAOYSA-N 344.400 1.827 0 40 EDAB CC(=O)N[C@@]1(C(F)(F)F)NC(=O)N([C@H](C)c2ccccc2)C1=O 4686613 KPASCKZYGIULJW-AMIZOPFISA-N 329.278 1.694 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 4941421 UNTGPJIHDBXASH-CQSZACIVSA-N 334.372 1.436 0 40 EDAB O=C(NCc1ccccc1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 9708551 IUDSRQOJSZJRGV-UHFFFAOYSA-N 349.390 1.777 0 40 EDAB CCCS(=O)(=O)N1CC[C@](Nc2cccc(F)c2)(C(=O)NC)C1 2055750592 ITOAFIUOGUPUJI-OAHLLOKOSA-N 343.424 1.168 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@@H]3[C@H](Cn4cccn4)CC[C@H]32)cn1 2055729685 WBGQVUSNJJKKGN-GVDBMIGSSA-N 326.400 1.906 0 40 EDAB COc1ccc(Cl)cc1NC(=O)C(=O)NCCn1ccnc1C 38720617 GRWHEOBGJSINMO-UHFFFAOYSA-N 336.779 1.608 0 40 EDAB Cn1cc(-c2nccnc2CNC(=O)c2ccc3c(c2)OCO3)cn1 575619209 IPMPABIPDGPVNS-UHFFFAOYSA-N 337.339 1.536 0 40 EDAB CCn1cc(S(=O)(=O)N2CCOc3ccc(F)cc3C2)nc1C 362985995 HYKVIDNNJHMUEE-UHFFFAOYSA-N 339.392 1.934 0 40 EDAB CSc1ccc([C@@H](O)CNC(=O)C(=O)NCc2ccccc2)cc1 96103251 CLCXQEPLMGVBKY-INIZCTEOSA-N 344.436 1.875 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)Nc4c(C)cccc43)[C@H]2C1=O 248335829 NUANHMFWMWBFGM-BPATVMIZSA-N 341.411 1.535 0 40 EDAB Cc1ccc2cc(C(=O)NCCCNS(C)(=O)=O)c(C)nc2c1 30898919 PWTKBAWLTMLRRK-UHFFFAOYSA-N 335.429 1.521 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N[C@H](c1ccccc1)C1CC1 31036378 HHLKVHWADLRDKH-GOSISDBHSA-N 349.390 1.957 0 40 EDAB CN1C(=O)c2ccc(C(=O)Oc3ccc(-n4cnnn4)cc3)cc2C1=O 40457630 COTFORKDHSHQGF-UHFFFAOYSA-N 349.306 1.107 0 40 EDAB O=C1CCc2cc(OCC(=O)N[C@H]3CCN4CCCC[C@H]34)ccc2N1 40534776 SXXFJYCHVNKKDJ-DLBZAZTESA-N 343.427 1.693 0 40 EDAB CC(C)c1nc([C@@H]2CCCN2Cc2cc(=O)n3nccc3[nH]2)no1 101025819 MXHWMYISXFKPTP-LBPRGKRZSA-N 328.376 1.866 0 40 EDAB CC(C)NC(=O)c1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 32072532 ZRBJPLUFJAPWTI-CYBMUJFWSA-N 339.417 1.133 0 40 EDAB O=C(Cc1noc(C(=O)NC2CCCCC2)n1)NCc1ccccc1 32074109 HXIRALBOHHFSSY-UHFFFAOYSA-N 342.399 1.991 0 40 EDAB Cn1c(=O)c2ccc(C(=O)Nc3ccc(F)cc3)nc2n(C)c1=O 32778313 XONNEXCHFZFSEO-UHFFFAOYSA-N 328.303 1.024 0 40 EDAB O=C(CN1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1)NC1CC1 41906422 NGNMDGIFWSKQIW-UHFFFAOYSA-N 345.487 1.482 0 40 EDAB CCOc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1 24689683 VEXJLWOVISLRKP-CQSZACIVSA-N 340.445 1.629 0 40 EDAB CCOC(=O)CC[C@@H](NC(=O)c1ccc(C=O)cc1)C(=O)OCC 2031671 ZBZYBAQRABRTKV-CQSZACIVSA-N 335.356 1.504 0 40 EDAB COCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 3634774 FHHAJIYQWWLCCC-UHFFFAOYSA-N 340.445 1.240 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 106918619 TVFCYJLEENMTPM-ZYSBLVPFSA-N 333.392 1.318 0 40 EDAB CCSC(SCC)[C@H](SCC)[C@H](O)[C@H](O)[C@H](O)CO 4946658 HKZRBEFUFOTRGP-GWOFURMSSA-N 330.537 1.015 0 40 EDAB CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6336991 WGLJSYPLQVXYFC-GFCCVEGCSA-N 326.418 1.236 0 40 EDAB COc1ccc(N(C)S(=O)(=O)c2csc(C(N)=O)c2)cc1 6681346 NMXRBSAFLSWRPY-UHFFFAOYSA-N 326.399 1.681 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1Cc1ccc(F)cc1 55999282 SRINCPCFSRRRGJ-DZGCQCFKSA-N 325.405 1.794 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCc1cccc(Cl)c1 25920798 HTUHORDDUFTNFJ-AWEZNQCLSA-N 344.864 1.813 0 40 EDAB O=C(Cc1cccnc1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107520179 VPZIWAKHRLCWAE-MOPGFXCFSA-N 337.423 1.736 0 40 EDAB CCCn1nnnc1COC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 26426649 FFAPIYMNUOYJCD-LLVKDONJSA-N 333.323 1.391 0 40 EDAB O=C(CN1CCN(c2ccccc2Cl)CC1)NC(=O)NC1CC1 35355327 UNNFZHQTPMHVMX-UHFFFAOYSA-N 336.823 1.450 0 40 EDAB Cn1cnnc1CNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 58195557 ZFMCHPRWPMPAFC-RYUDHWBXSA-N 335.205 1.998 0 40 EDAB COc1ccc(CC[C@@H](C)NC(=O)CCN2C(=O)CCC2=O)cc1 58265810 GHFFLBWQWBGWNI-CYBMUJFWSA-N 332.400 1.672 0 40 EDAB Cc1cc2n(n1)C[C@H](CN[C@H]1CCCN(c3ncccn3)C1)CN2 58298863 PEMZFHYSMOEYQC-CABCVRRESA-N 327.436 1.282 0 40 EDAB CN(C)C(=O)CN1CCCN(Cc2coc(-c3ccccc3)n2)CC1 44933952 YHNJKDXNHYNODS-UHFFFAOYSA-N 342.443 1.938 0 40 EDAB CCc1cccc(OC[C@H](O)CN2C(=O)[C@H]3CCCCN3C2=O)c1 58441286 YITSHZIXNGBJOT-GDBMZVCRSA-N 332.400 1.805 0 40 EDAB CCOc1ccccc1NC(=O)C[C@@H]1SC[C@@H](C(=O)O)NC1=O 20635105 JPJIJWLRSKPCFG-JQWIXIFHSA-N 338.385 1.099 0 40 EDAB CCCc1noc(CS(=O)(=O)CCC(=O)Nc2cc(C)on2)n1 36394666 FVLLTWPDQZJYIV-UHFFFAOYSA-N 342.377 1.262 0 40 EDAB C[C@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@H](C)O1 36390129 OWHYFXNTSWFTQQ-STQMWFEESA-N 338.429 1.476 0 40 EDAB Cc1noc2ncc(S(=O)(=O)NC[C@H](N)c3ccccc3)cc12 95432040 ONGJHBJSBLTXKS-AWEZNQCLSA-N 332.385 1.510 0 40 EDAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCC(C)C)c1 57279540 XFOGPEISMCBDHB-UHFFFAOYSA-N 339.421 1.303 0 40 EDAB C[C@H](CCNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[S@](C)=O 95437717 YASQUYOAHPPCDD-WEXQCUGRSA-N 328.478 1.790 0 40 EDAB Cc1cc(C)c(CNC(=O)c2cnccc2-c2noc(C)n2)c(=O)[nH]1 75120893 HNNJRZKSARDVBR-UHFFFAOYSA-N 339.355 1.675 0 40 EDAB COc1cccc(CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)n1 112214824 CEZGCHALLHOSMV-OAHLLOKOSA-N 348.447 1.344 0 40 EDAB O=C(CCN1C(=O)CCC1=O)N[C@@H](c1ccccc1)c1ccccn1 29715127 JOQWZKWBKBPEDS-IBGZPJMESA-N 337.379 1.826 0 40 EDAB COC(=O)N1CCC[C@H]1C(=O)NCc1ccc(F)c(CN(C)C)c1 75139702 CDKZIACFYZVNHO-HNNXBMFYSA-N 337.395 1.734 0 40 EDAB Cc1noc(C)c1C(=O)N1CCN(C(=O)c2c(C)noc2C)[C@H](C)C1 2749310 VABOHSZIAIZHJD-SECBINFHSA-N 346.387 1.883 0 40 EDAB CCc1nnc(CN2CCC[C@@H]([C@@]3(C)NC(=O)N(C(C)C)C3=O)C2)o1 89296254 JZHRBBMHXNHZBP-SJKOYZFVSA-N 349.435 1.563 0 40 EDAB COC(=O)CCNC(=O)CSc1ccc(C(C)=O)cc1OC 61377132 NGOAWSZFGSMQMN-UHFFFAOYSA-N 325.386 1.669 0 40 EDAB C[C@@H](O)CN1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 75132649 KYCHHXLIFFECSZ-IUODEOHRSA-N 332.366 1.737 0 40 EDAB CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](CN2CCC(C)CC2)C1 95413775 CVEFKDUCHJFNMH-JKSUJKDBSA-N 338.496 1.794 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2CCN(Cc3cccs3)C[C@@H]21 108534352 YWXAQWFCOBRAKQ-HOTGVXAUSA-N 344.440 1.654 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CCCN2CCC(=O)NC2CC2)cc1 48356121 SFKGUZBWYKITJK-INIZCTEOSA-N 331.416 1.767 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CCN(c4ccccc4)CC3)nc2n1 3412957 JBTCWZZEBRILFS-UHFFFAOYSA-N 336.399 1.704 0 40 EDAB COc1ccccc1C(=O)N[C@H](/C(O)=N/S(C)(=O)=O)C(C)C 48479337 IKECPCRHABPPAA-LBPRGKRZSA-N 328.390 1.366 0 40 EDAB COc1ccc(/C=C/C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1F 12944465 QDMIBRDUNRHYLO-FUEXJSSKSA-N 327.377 1.493 0 40 EDAB O=C(NC(=O)c1cnn([C@@H]2CCS(=O)(=O)C2)c1)Nc1ccccc1 4002016 NLQRSTGECHGKOE-CYBMUJFWSA-N 348.384 1.205 0 40 EDAB CCN(CC)C(=O)CNC(=O)NCCCOc1ccc(OC)cc1 65542511 NIHHFBNWZBMTQF-UHFFFAOYSA-N 337.420 1.632 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 9313758 XUVPHIRAAQGMDD-UHFFFAOYSA-N 339.399 1.475 0 40 EDAB C[C@H]1Oc2ccc([C@@H](C)N)cc2N(CC(=O)NC2CCCC2)C1=O 19768835 NZHWDPPRXJKLNA-VXGBXAGGSA-N 331.416 1.879 0 40 EDAB C[C@H]1C[C@@H]1C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 5701488 MLJOSVJLPDIQSN-WFASDCNBSA-N 339.413 1.407 0 40 EDAB CCOc1ccccc1NC(=O)C[C@H]1SC[C@H](C(=O)O)NC1=O 20635113 JPJIJWLRSKPCFG-ZYHUDNBSSA-N 338.385 1.099 0 40 EDAB Cc1ccc(F)cc1-n1nnc(C(=O)N2CCCN(C)CC2)c1C 67283406 KGAMRRQWIBYMEX-UHFFFAOYSA-N 331.395 1.801 0 40 EDAB COc1ccc(-c2nc3s/c(=C/c4cccnc4)c(=O)n3n2)cc1 5931680 VRASLNFOUWQVBY-NTEUORMPSA-N 336.376 1.769 0 40 EDAB Cc1nccn1-c1ccc(F)cc1CNC(=O)CN1CSCC1=O 71886027 ZGCAMGKIJZJAJU-UHFFFAOYSA-N 348.403 1.469 0 40 EDAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCCN(c3nccs3)CC2)cn1 71841610 HDUBWCJJUDSZOO-KGLIPLIRSA-N 331.445 1.719 0 40 EDAB COCc1cc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)ccc1F 76053991 LAFYRAFLSDDWIZ-GUYCJALGSA-N 336.407 1.765 0 40 EDAB CCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 7758995 VQLBEFFZNQIIBG-UHFFFAOYSA-N 326.418 1.237 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 71921828 DWQWVHSGHVKSOS-GOSISDBHSA-N 342.443 1.668 0 40 EDAB Cc1nc2ncnn2c(N2CCN(C(=O)C3CCCC3)CC2)c1C 71913865 RZYONJHLIQKJOZ-UHFFFAOYSA-N 328.420 1.580 0 40 EDAB CC[C@@H](COC)NC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OC)cc1 71915377 XHMZANMVJHZDCE-MVVQPTODSA-N 334.416 1.754 0 40 EDAB O=C(Nc1ccn(-c2ccccc2)n1)N[C@H]1CCCS(=O)(=O)C1 71921983 CRRODGNGTWBTER-LBPRGKRZSA-N 334.401 1.571 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccccc2OC[C@H]2CCCO2)CC1 70019137 TZEYVXKITOIEKC-JKSUJKDBSA-N 348.443 1.383 0 40 EDAB C[C@H](CNC(=O)C1=NO[C@H](c2ccccc2)C1)N1CCN(C)CC1 70003686 QPAOXJRUKTXYLR-PBHICJAKSA-N 330.432 1.256 0 40 EDAB COCC[C@H](NC(C)=O)C(=O)N1CCC[C@H](n2nc(C)cc2C)C1 70015723 BUHVORHXMXMCPO-HOTGVXAUSA-N 336.436 1.205 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)CNC(=O)CCc1ccc(C)cc1 69381412 XVEZTWFIAFOSAI-UHFFFAOYSA-N 347.459 1.417 0 40 EDAB CCc1nnc(CN2CCN([C@H](C)c3nc(C4CC4)no3)CC2)o1 69415322 FZGSKCDRFHVRIC-LLVKDONJSA-N 332.408 1.771 0 40 EDAB O[C@@H](COCc1ccccc1)CN1CCO[C@H](Cn2cccn2)C1 69415734 BQUYBOKKMKTWEO-MSOLQXFVSA-N 331.416 1.162 0 40 EDAB CCc1nnc2n1CCN(C[C@@H](O)c1ccc3c(c1)OCCO3)C2 69453610 NPKYBTILQMGTJY-CYBMUJFWSA-N 330.388 1.161 0 40 EDAB NC(=O)CN1CCCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1 69514453 AHURUSQESPSYHY-UHFFFAOYSA-N 333.407 1.267 0 40 EDAB O=C(Nc1ccncc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 17583810 YKGSICJNWHSLBI-LBPRGKRZSA-N 339.351 1.844 0 40 EDAB Cc1csc(=O)n1CCC(=O)OCc1nnnn1-c1ccccc1 17837492 VUTRUGWPMXTNJW-UHFFFAOYSA-N 345.384 1.327 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3cccc(OC(C)C)n3)CCO2)n1 179129394 UINBTBBRRLTLNP-ZDUSSCGKSA-N 345.403 1.763 0 40 EDAB Cc1nc2n(n1)C[C@H](NCc1ccc(-n3cncn3)c(F)c1)CC2 69773480 GZYVCLKQQMATHD-CYBMUJFWSA-N 327.367 1.411 0 40 EDAB Cc1sc(-c2ccco2)nc1C(=O)N1CCN(C[C@H](C)O)CC1 69773573 GNNDKYLXKPNNQM-NSHDSACASA-N 335.429 1.850 0 40 EDAB COc1ccc(F)cc1[C@@H](C)NC[C@H]1CNc2c(C(N)=O)cnn2C1 69840796 YZPQMZNAZYWVJW-MNOVXSKESA-N 347.394 1.522 0 40 EDAB Cc1ccc(N2CCC[C@@H](N(C)[C@H](C(N)=O)c3ccccc3)C2)nn1 69869958 MHHHPHDRTRPVET-AEFFLSMTSA-N 339.443 1.912 0 40 EDAB C[C@@H](O)CN1CCC(CN(C)CC(=O)NC2CCCCCC2)CC1 69952270 DDYYPVPQXRXIQN-MRXNPFEDSA-N 339.524 1.850 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)c2cc(SC)ccc2C)CC1 69980164 FTMQKXFZAXGVRK-UHFFFAOYSA-N 342.486 1.871 0 40 EDAB C[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1ccccc1 9743383 ICCHHKNVIJBMCN-LBPRGKRZSA-N 337.339 1.846 0 40 EDAB Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(=O)[nH]n2)cc1 98014104 SAHIZHJTQVNQOZ-PBHICJAKSA-N 327.384 1.976 0 40 EDAB Cc1cc(C)nc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1 97081345 ZAZBLVWSZXXJHX-HNNXBMFYSA-N 338.477 1.924 0 40 EDAB CNc1cc(N2CCC[C@H]2CNc2cc(C)nc3ncnn23)ncn1 72276293 MNTRIJFPTMTYFN-LBPRGKRZSA-N 339.407 1.345 0 40 EDAB CN(CCN1CCCC[C@H]1CNC(=O)OC(C)(C)C)S(C)(=O)=O 84240534 FOOXEBNFZQYLAE-ZDUSSCGKSA-N 349.497 1.257 0 40 EDAB CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCc2nccn2C1 97197666 CAAWZMNZTCIFMU-CYBMUJFWSA-N 347.440 1.810 0 40 EDAB CC(C)c1nnc2n1C[C@@H](NCc1ccc(S(C)(=O)=O)cc1)CC2 97199475 PTSXRBMHFILBGE-AWEZNQCLSA-N 348.472 1.910 0 40 EDAB COC(=O)[C@@H]1COCCN1C(=O)CCCCOc1cccc(C)c1 72309268 XXVIJCVIYWJFMD-INIZCTEOSA-N 335.400 1.945 0 40 EDAB CCOC(=O)[C@H](NCC(=O)Nc1cccc(C(=O)N(C)C)c1)C(C)C 95995933 FSOFBMKONPZXKR-MRXNPFEDSA-N 349.431 1.504 0 40 EDAB CN1C(=O)C[C@@H](C(=O)NCCNc2ccccn2)[C@H]1c1ccccc1 95396238 YCXAIQZTCKRKOY-CRAIPNDOSA-N 338.411 1.829 0 40 EDAB O=C(CN1CCO[C@@H]2CCC[C@@H]21)NCCCOc1ccccc1F 95397371 UXANQEQLJRUEEM-DOTOQJQBSA-N 336.407 1.964 0 40 EDAB CCOCCCNC(=O)CCc1ccc(S(=O)(=O)NC)cc1 69534204 YKRWPEFRZBTFKL-UHFFFAOYSA-N 328.434 1.070 0 40 EDAB CCN1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 113948401 PIYCTACORRUUKD-UHFFFAOYSA-N 345.852 1.489 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)Nc1cccnc1-n1cccn1 25011167 WIGCTXXNSLWXCJ-UHFFFAOYSA-N 347.338 1.011 0 40 EDAB CCS(=O)(=O)N1c2ccc(C(=O)NCCOC)cc2C[C@@H]1C 20448881 FOUMNIYHILXRSG-NSHDSACASA-N 326.418 1.164 0 40 EDAB C[C@H](NCCN1C(=O)CNC1=O)c1ccc(Br)cc1F 129690305 WPEADPCMBQZRQI-QMMMGPOBSA-N 344.184 1.791 0 40 EDAB O=C1CC[C@H](NC(=O)Nc2cnn(-c3ccccn3)c2)C2(CCC2)N1 548962070 LKXBHQLZOTYNSX-ZDUSSCGKSA-N 340.387 1.590 0 40 EDAB CCc1oc(C(=O)N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)cc1C 122235276 WJWKYNAMSFRWJT-OAHLLOKOSA-N 347.459 1.777 0 40 EDAB CCOC(=O)[C@@]1(F)CN(c2cc(C)nc(COC)n2)CC12COC2 521398516 LOHXHVXDCMCAPN-INIZCTEOSA-N 339.367 1.039 0 40 EDAB COc1cccc([C@H]2CN(Cc3cnc(C(=O)O)cn3)CCO2)c1 530161392 IICUKXGHPKLNKM-MRXNPFEDSA-N 329.356 1.757 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1cccc(Nc2ncccn2)n1 72375237 CYZDVOQZKZXAPZ-CYBMUJFWSA-N 348.432 1.559 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)NCCCN2CCCCC2)c1 35813228 QTBCINIXWAQBGB-UHFFFAOYSA-N 339.461 1.201 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)NCc1ccc(S(C)(=O)=O)cc1 32440152 WDTCSVQNZJJHQD-LBPRGKRZSA-N 346.474 1.299 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)CC1 34926394 DGSOJHKMFRSUOX-WDEREUQCSA-N 326.393 1.423 0 40 EDAB Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccccc2Cl)n1 211098364 CMXQKAUZBDJUGU-UHFFFAOYSA-N 340.836 1.983 0 40 EDAB C[C@H](CN(C)C(=O)c1ccc(-n2cccn2)c(F)c1)c1nnn[nH]1 124469481 ADWRQKBNDABYQJ-SNVBAGLBSA-N 329.339 1.400 0 40 EDAB CN1CCN(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 33474399 LLSPIKOFSZJOLR-UHFFFAOYSA-N 343.427 1.617 0 40 EDAB CN(Cc1ccccc1)S(=O)(=O)c1cnccc1N1CCNCC1 72210645 WLGWMYFTNJNDRR-UHFFFAOYSA-N 346.456 1.312 0 40 EDAB CN(C)C(=O)CCc1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1 72360478 RSUOMYJUIVUKOG-ZDUSSCGKSA-N 339.461 1.241 0 40 EDAB CCOc1ccc(C)cc1S(=O)(=O)NC[C@@](C)(O)CSC 75157308 IXEBWQHKKURPBH-CQSZACIVSA-N 333.475 1.786 0 40 EDAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NS(=O)(=O)[C@H](C)C(=O)N(C)C 193826045 RSMMXVPZJVXLKA-YPMHNXCESA-N 342.461 1.998 0 40 EDAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2cccc(F)c2)cc1 43155287 QABKEZNBPQBIMO-UHFFFAOYSA-N 337.376 1.837 0 40 EDAB CCOc1ncccc1C(=O)N1CCCC[C@@H]1c1cc(C(N)=O)[nH]n1 225556317 SFGGKBXIAHNFSD-CQSZACIVSA-N 343.387 1.670 0 40 EDAB Cc1cc(C)n(CCCNC(=O)c2cc(NC(=O)C3CC3)n(C)n2)n1 46089081 BBMSQJWXZLDBSL-UHFFFAOYSA-N 344.419 1.402 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2cccc(C(=O)O)c2Cl)C1 571219610 MVLJAIIXDFKEIK-NSHDSACASA-N 346.836 1.552 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1 198482972 GTVNOLFEYFPBFB-NSHDSACASA-N 328.434 1.667 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)Nc1cnc(N2CCN(C)CC2)nc1 224254110 GUBRUZFFAYZBAE-CQSZACIVSA-N 341.415 1.634 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc2c(c1)OCCO2 63993558 TWGKDVWDNRZLMN-UHFFFAOYSA-N 346.408 1.668 0 40 EDAB O=C(Cc1ccc(I)cc1)N1CC[C@H](O)C1 190979293 RRRAZCMDILOQGI-NSHDSACASA-N 331.153 1.427 0 40 EDAB O=C(c1cscn1)N1CCOC[C@H]1c1ncnn1-c1ccccc1 225464353 LNQZUUKFWJVHTB-AWEZNQCLSA-N 341.396 1.938 0 40 EDAB COc1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 223028323 BQMIVBSSHKYRRQ-UHFFFAOYSA-N 334.353 1.955 0 40 EDAB O=C(O)CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCS1(=O)=O 574338930 GZGJOYGTFXZINZ-GFCCVEGCSA-N 345.804 1.330 0 40 EDAB Cn1c(Cc2ccc(I)cc2)cc(=O)[nH]c1=O 94568730 QWKJXTJMVCCVMT-UHFFFAOYSA-N 342.136 1.269 0 40 EDAB C[C@@H](C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)n1cncn1 97233650 DEKZBQCRFSEFPR-JTQLQIEISA-N 342.325 1.918 0 40 EDAB Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1nccs1)CC2 96187475 OIYRELHLALNYLD-UHFFFAOYSA-N 331.445 1.671 0 40 EDAB CC(C)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)c3ccno3)CC[C@@H]21 96185691 DRYXYUFYMKDKCY-PMPSAXMXSA-N 343.431 1.885 0 40 EDAB CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1cccc2c1OCCO2 96041318 FUIGEQRRGZGMSU-QRTARXTBSA-N 333.384 1.866 0 40 EDAB CN(C)CC(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 96040211 UAEOBIHVOFJEEK-HKUYNNGSSA-N 347.459 1.558 0 40 EDAB Cn1c(CO)cnc1S(=O)(=O)Cc1coc(-c2cccs2)n1 95463583 LWBQDESNSCEXJJ-UHFFFAOYSA-N 339.398 1.603 0 40 EDAB c1cn2c(n1)CN(Cc1ccsc1)C[C@H](CN1CCOCC1)C2 96188491 YTQHTIIIFNWMRJ-INIZCTEOSA-N 332.473 1.909 0 40 EDAB O=C(c1ccco1)N1CCC[C@]2(COCCN(c3cnccn3)C2)C1 96049646 MMAIWRNFISIEDA-GOSISDBHSA-N 342.399 1.829 0 40 EDAB CO[C@@H]1C[C@@H](c2nncn2C)N(Cc2cccc3c2OCCO3)C1 579149970 PHQKALGWKSXAMP-KGLIPLIRSA-N 330.388 1.548 0 40 EDAB Cc1cc(C(=O)N2CCc3ncc(CN4CCCC4)n3CC2)no1 96196864 WOBAEBDQUBHOEP-UHFFFAOYSA-N 329.404 1.474 0 40 EDAB Cn1cc(CN2CC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cn1 96209786 JCYAELXTXLVMFK-MSOLQXFVSA-N 328.416 1.765 0 40 EDAB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)o1 96061500 LOMJXOXHQGLUKF-AWEZNQCLSA-N 342.399 1.600 0 40 EDAB Cc1nc(-c2ccccc2)nc2c1CCN(C(=O)c1nc[nH]n1)CC2 96083800 MZXNJOHQGJEYAN-UHFFFAOYSA-N 334.383 1.811 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@]2(C)CC(c3ccccc3)=NO2)CC1 96192735 MQZNGSGMWWWWAU-SFHVURJKSA-N 345.399 1.870 0 40 EDAB COc1ncccc1CN1CCc2ncc(Cn3cccn3)n2CC1 96196944 LENTULDLODDYPL-UHFFFAOYSA-N 338.415 1.590 0 40 EDAB COC[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)c1ccc(C)o1 96445128 BOMOTLBZRVYOKX-CYBMUJFWSA-N 327.344 1.681 0 40 EDAB Cc1cc(C(=O)N2CCOC[C@@H]2CCO)nn1-c1ccc(F)cc1 96495215 PWXQWTAURMXYCG-HNNXBMFYSA-N 333.363 1.543 0 40 EDAB CCC(=O)N1CCC2(CC1)[C@H](c1cnn(C)c1)CC(=O)N2CCOC 96199893 GQVWAGOVOVGLMD-HNNXBMFYSA-N 348.447 1.154 0 40 EDAB O=C(NCC(=O)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1)c1ccccn1 96450203 TYAFKEFZECOSKW-ZMSDIMECSA-N 342.443 1.144 0 40 EDAB Cn1cccc1C(=O)N[C@@H]1CN(Cc2cccnc2)[C@@H]2CCCO[C@H]12 96056335 GKVNWYNOWGQUSK-JFIYKMOQSA-N 340.427 1.582 0 40 EDAB Cc1cc(CC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)n[nH]1 95446874 WUOZWJFGAFYQIZ-AWEZNQCLSA-N 330.363 1.712 0 40 EDAB O=C(c1ccnnc1)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 96039863 BMXGEDNKFVKEJY-WMZOPIPTSA-N 331.416 1.915 0 40 EDAB O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NCCCO 96232735 RWGYYJYWWNNOKN-UHFFFAOYSA-N 343.408 1.692 0 40 EDAB C[C@H]1CN(C[C@H]2CCCN2C(=O)OC(C)(C)C)CCS(=O)(=O)C1 585117607 NFQLMADEKDQCEG-UONOGXRCSA-N 346.493 1.752 0 40 EDAB CC[C@H](C)NC(=O)c1cnc(C2=NC(=O)[C@](C)(C(C)C)N2)c(O)c1 585121282 KVXUEOCWYDOBIA-BTDLBPIBSA-N 332.404 1.607 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3C[C@H](O)C3)C2)c1 585113914 XAZXEDHFOZXEPR-DJIMGWMZSA-N 330.428 1.795 0 40 EDAB COC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 242543517 KDGARTSPQVYESW-JHJVBQTASA-N 348.262 1.551 0 40 EDAB CC(C)N1C[C@@H]2CN(Cc3ccsc3)CCN2C[C@H](C(=O)O)C1 247987277 JAQZOPBHHSIMFY-HOTGVXAUSA-N 337.489 1.659 0 40 EDAB CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)C2(C(=O)OC)CC2)cc1 252489633 JVFFNQWWPXCFCM-LLVKDONJSA-N 339.413 1.611 0 40 EDAB Cc1cc(N)cc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257217645 CZXMCTIXBCSFRM-MRXNPFEDSA-N 329.404 1.549 0 40 EDAB Cc1ccccc1S(=O)(=O)N1CCO[C@@H](CCc2ccncn2)C1 257340029 ZEFHVKCRDQQHGF-INIZCTEOSA-N 347.440 1.807 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C 257329378 XJSYQRITDULJNH-HNKHHVNMSA-N 338.477 1.364 0 40 EDAB Cc1ocnc1C(=O)N1C[C@H]2CC[C@@H](N(C)c3cnccn3)[C@H]2C1 257340711 ZHGLVTVNXUOENZ-HZSPNIEDSA-N 327.388 1.760 0 40 EDAB CNc1nccnc1[C@@H]1CN(Cc2nc3ccccc3n2C)CCO1 257200217 ACMCOCPEHIEIBY-HNNXBMFYSA-N 338.415 1.979 0 40 EDAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCN(C(=O)C3CCOCC3)C2)n1 257290032 QBGSLGWNHVOJCD-AWEZNQCLSA-N 341.415 1.918 0 40 EDAB Cn1ccnc1-c1cnc(CC2CCN(S(C)(=O)=O)CC2)cn1 257234038 GRVXTBLYRINKCZ-UHFFFAOYSA-N 335.433 1.091 0 40 EDAB CC1(C)NC(=O)N(CC(=O)N2CCC[C@H](Cc3ccccn3)C2)C1=O 257245002 INSBZGFQNQVFSM-CYBMUJFWSA-N 344.415 1.193 0 40 EDAB CC(=O)NCc1cc([C@H]2CCCN2C2CCN(C(C)=O)CC2)ccn1 257281601 OQBNNMGETSWCEN-LJQANCHMSA-N 344.459 1.866 0 40 EDAB O=C(N1CC[C@](O)(CN2CCCC2)C1)C1(c2ccccc2F)CC1 257299104 ROSOOLBKJNOKLW-SFHVURJKSA-N 332.419 1.917 0 40 EDAB O=S(=O)(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccc(F)c(F)c1 253473880 ZKWOBYNVFLWUQM-OWYVNGRQSA-N 333.356 1.580 0 40 EDAB NC(=O)[C@]1(CCCc2cnccn2)CCCN(c2ncccn2)C1 257330161 XNDFDPGFXRHDGE-QGZVFWFLSA-N 326.404 1.361 0 40 EDAB NC(=O)c1cnn2c([C@H]3CCCN(Cc4cccnc4)C3)ccnc12 257232884 GMVUILBCNDWKJW-AWEZNQCLSA-N 336.399 1.603 0 40 EDAB CN(C)c1cncc([C@H]2CCCN2C(=O)CCCn2ccnc2)n1 257220251 DKENVIOFWWQQTQ-OAHLLOKOSA-N 328.420 1.883 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)CC 252513920 AVRKSDQXIJUDCM-SQWLQELKSA-N 341.429 1.104 0 40 EDAB Cc1cc(C)cc([C@@H](O)CNC(=O)N[C@@H](C)CCS(C)(=O)=O)c1 252508806 XUOYEFUNXGLYAT-ZFWWWQNUSA-N 342.461 1.459 0 40 EDAB CCc1ccc(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)cc1 257280641 OLRNMLOODJCZEV-IBGZPJMESA-N 340.427 1.800 0 40 EDAB CCc1cccc(NC(=O)CNC(=O)N2CCC[C@@H](C(=O)OC)C2)c1 265725756 IPCOBJXGLOBBBH-CQSZACIVSA-N 347.415 1.782 0 40 EDAB NC[C@H]1CN(C(=O)NCc2ccn(-c3ccc(F)cc3)n2)CCCO1 1614995122 JSIXXUMMBDDPAJ-INIZCTEOSA-N 347.394 1.271 0 40 EDAB Cc1cccc(OCCN2[C@H](C(=O)NC3CC3)C[C@@H]3OCC[C@@H]32)c1 1615549614 RAYUYADDIYKJHN-BZSNNMDCSA-N 330.428 1.884 0 40 EDAB O=C(NCCN1CCCS1(=O)=O)Nc1ccc2nscc2c1 1615612909 CYPHFDBWLLQESR-UHFFFAOYSA-N 340.430 1.453 0 40 EDAB CNC(=O)c1ccc(O)c(NS(=O)(=O)C[C@H]2CCCCO2)c1 1615613260 HGTYYGDMEUIDLK-LLVKDONJSA-N 328.390 1.063 0 40 EDAB COc1cccc2c1CC[C@]2(N)C(=O)NCc1nncn1C(C)C 1615616291 ZXUKJUQLROBGBJ-QGZVFWFLSA-N 329.404 1.284 0 40 EDAB CC(C)(Cn1nnnc1N1CCC(C(N)=O)CC1)c1ccccc1F 1616033095 KSMFOMSJSPMVGP-UHFFFAOYSA-N 346.410 1.492 0 40 EDAB O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCCC2)C1 585283494 OXBWPHNCLQMUGT-PKOBYXMFSA-N 332.444 1.039 0 40 EDAB Cn1cc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)cn1 585287740 DDDGVJHDKCSPCK-YXJHDRRASA-N 327.384 1.180 0 40 EDAB CNC(=O)[C@@H]1COC2(CN(Cc3cccc(C)c3)C2)CN1CC1CC1 585109483 SZQLKLNUVLPING-SFHVURJKSA-N 343.471 1.406 0 40 EDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)Cc3ccncc3)CCO2)cc1 585279402 YTTNXVZJMUHSSH-FQEVSTJZSA-N 340.423 1.765 0 40 EDAB Cc1ccc2c(CC(=O)N(C)[C@@H]3COC[C@@H](O)[C@H]3O)coc2c1C 585286581 MFNTZPOLHHHOBT-INMHGKMJSA-N 333.384 1.171 0 40 EDAB CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)Nc1cnn(CC)c1 69817221 WBQSUFLCEPZXEA-CQSZACIVSA-N 340.391 1.708 0 40 EDAB CC[C@@H](COC)NC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1 71915379 XHMZANMVJHZDCE-MHTLDOAHSA-N 334.416 1.754 0 40 EDAB Cc1cnn(C2CN(C[C@H](O)COc3ccc4c(c3)OCO4)C2)c1 72253887 XKMGJARFFYYISE-AWEZNQCLSA-N 331.372 1.217 0 40 EDAB Cc1occc1CN(C)CC(=O)N1CCN(c2ccccn2)CC1 55054228 ZXZUXWQCTJJSSF-UHFFFAOYSA-N 328.416 1.764 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)NC1CCC2(CC1)OCCO2 56090545 VDSZZDIFWGJYEC-UHFFFAOYSA-N 332.466 1.771 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CCC(S(C)(=O)=O)CC1 96098234 AKPRBHRWWAEDFX-UHFFFAOYSA-N 347.458 1.201 0 40 EDAB Cc1occc1CN(C)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 103735544 XLWMUBXRKHDZDG-APYUEPQZSA-N 328.368 1.354 0 40 EDAB CC(C)(C)OC(=O)C1CCN(S(=O)(=O)NCc2ccoc2)CC1 585115610 KCSAXVNVRZLTOS-UHFFFAOYSA-N 344.433 1.668 0 40 EDAB O=C(CSc1ccc(-c2cccnc2)nn1)NC[C@H]1CCCO1 5108139 PBNYYSXPFFSDTR-CYBMUJFWSA-N 330.413 1.926 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)C[C@@H](C)O1 13132825 SEESJDSBECMTHU-TXEJJXNPSA-N 345.351 1.586 0 40 EDAB Cn1nccc1C(=O)NCCn1ncc(-c2ccncc2)c1C1CC1 19289202 GXBDBUFMJSHWBQ-UHFFFAOYSA-N 336.399 1.986 0 40 EDAB O=C(NCCn1nc([C@H]2CCNC2)c2nccnc21)C1CCCC1 19404437 VRHFNUACZKXJHG-ZDUSSCGKSA-N 328.420 1.210 0 40 EDAB CCN(c1ccc(OCC(=O)N[C@@H](C)COC)cc1)S(C)(=O)=O 19937807 QKEWUWABVFBRAD-LBPRGKRZSA-N 344.433 1.002 0 40 EDAB CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](C)Cn2cccn2)C1 106638887 GZPUPMMSVMGIEK-HRCADAONSA-N 334.464 1.920 0 40 EDAB Cn1ccnc1CN1CCN(C(=O)[C@@H]2CCc3cccc(O)c32)CC1 550381997 RNFCWEYCOCAATF-OAHLLOKOSA-N 340.427 1.500 0 40 EDAB CN1CCN([C@@H](CNC(=O)c2cccc(F)c2)c2cccn2C)CC1 21152833 WSNJQAOLUAWLNV-SFHVURJKSA-N 344.434 1.883 0 40 EDAB CN1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCNC3)n2)CC1 257332339 XWVXRRUWDHAXKF-MRXNPFEDSA-N 338.459 1.757 0 40 EDAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(c2cnccn2)CC1 25834592 MWROUGFGKQLTKJ-UHFFFAOYSA-N 335.367 1.281 0 40 EDAB CCOc1ccc2nnc(CNC(=O)NCc3cccc(F)c3)n2n1 238835985 GSEJOQDKHNOFRC-UHFFFAOYSA-N 344.350 1.662 0 40 EDAB Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3OCC(=O)NC[C@H]32)on1 2037984596 GRGSVEIMDQVZMJ-CKEIUWERSA-N 341.367 1.106 0 40 EDAB O=C(N1CC[C@@H]2CN(C3CCOCC3)CCO[C@H]2C1)C1(F)CC1 1565547887 YBAHFNAICPCSIG-HIFRSBDPSA-N 326.412 1.217 0 40 EDAB O=C(C[C@H]1CO[C@@H]2CN(C(=O)C3(F)CCC3)C[C@@H]21)Nc1cccnc1 1565549089 PQSFJKBCSVFVOJ-NWANDNLSSA-N 347.390 1.776 0 40 EDAB O=C(c1cc[nH]c1)N1C[C@H]2CCN(C(=O)c3cnccn3)C[C@@H]2C1 1565553350 VFPWBOYNGREUMG-ZIAGYGMSSA-N 325.372 1.039 0 40 EDAB O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(F)cc1F 4583694 AUNWQPSOKSYYRU-UHFFFAOYSA-N 325.315 1.032 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCS[C@@H](c2ccccc2)CC1 208045455 HTFQZKMCPAJXCC-OAHLLOKOSA-N 342.486 1.744 0 40 EDAB O=C(CSC1CCCC1)N1CCN(S(=O)(=O)C2CC2)CC1 44227169 QNWWQDGQNBBJJR-UHFFFAOYSA-N 332.491 1.299 0 40 EDAB O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ccccc1Cl 575617136 PNMICMKITZWNLN-NSHDSACASA-N 342.790 1.786 0 40 EDAB CC(C)N[C@@H]1C[C@H](C(=O)N2CCCC2)[C@@H](O)[C@H]1c1cnc(C(C)C)[nH]1 2332241835 PPTBGGLMYNRDPZ-XOSAIJSUSA-N 348.491 1.987 0 40 EDAB O=C(COC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)Nc1ccc(F)cc1 100646801 YBHZCCDSCAEROQ-VOUTZNEASA-N 333.315 1.505 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)CCn1cnc2c(C)cccc2c1=O 40480820 QOENQZUKLSNGTM-OAHLLOKOSA-N 342.443 1.696 0 40 EDAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1cnn(C)c1 32539752 GCCVEXCPDKOBGA-UHFFFAOYSA-N 347.444 1.140 0 40 EDAB COc1cccc([C@@H](CNC(=O)CCCCNC(N)=O)N(C)C)c1 52839183 VGCVEHVJEBHGEP-OAHLLOKOSA-N 336.436 1.253 0 40 EDAB Cc1cc(C)cc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 516382 ZLVUDXYQROGYKX-UHFFFAOYSA-N 334.397 1.968 0 40 EDAB Cc1nccn1-c1cc(CNC(=O)CCNc2ncccn2)ccn1 53398021 JXIXKQGRELCNCB-UHFFFAOYSA-N 337.387 1.484 0 40 EDAB CC(=O)N1CCC(CNS(=O)(=O)c2cccc(F)c2F)CC1 104764486 RAPYBLHOTLCYNA-UHFFFAOYSA-N 332.372 1.502 0 40 EDAB CCOc1ccc(N2C[C@@H](C(=O)NC3=NCCS3)CC2=O)cc1 479451 XZPAVXWRPHZGHH-NSHDSACASA-N 333.413 1.657 0 40 EDAB COC(=O)c1cc(CN(C)C(=O)Cn2c(C)csc2=O)oc1C 24281037 UCDNOPCSZLWHQV-UHFFFAOYSA-N 338.385 1.565 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)COc2cccc(C)c2)n1 557463 OPRSGDSBSXZHBG-UHFFFAOYSA-N 334.405 1.284 0 40 EDAB CCNC(=O)C1CN(C(=O)Nc2nc(-c3ccccc3)ns2)C1 79017836 WJHBLMXFDRKHAT-UHFFFAOYSA-N 331.401 1.805 0 40 EDAB C[C@@H]1CN([C@H](C)CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C[C@@H](C)O1 106057203 PAIDYKJKFUQOGD-IXYNUQLISA-N 345.443 1.726 0 40 EDAB CCOC(=O)N[C@](Nc1cc(C)on1)(C(=O)OCC)C(F)(F)F 3138068 IZNKXFNTLBVEKE-LLVKDONJSA-N 339.270 1.963 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCNC(=O)c1ccsc1 79070565 OYQZKQPYBUOQDZ-LBPRGKRZSA-N 347.444 1.673 0 40 EDAB O=C1C(=O)N(CCCN2C(=O)C(=O)c3ccccc32)c2ccccc21 2024414 ROFWOPAEDYCGBZ-UHFFFAOYSA-N 334.331 1.836 0 40 EDAB CCn1nnc2cc(C(=O)NCc3ccc(-n4cccn4)nc3)ccc21 55485701 MJHWMTYFIBDZLK-UHFFFAOYSA-N 347.382 1.962 0 40 EDAB CCNC(=O)CN(CC)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 106769751 VIORENNKXFRUBS-NVXWUHKLSA-N 346.475 1.990 0 40 EDAB CC(C)[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(Cl)cc1 25162126 HBTSDHMNDXUVGY-OAHLLOKOSA-N 335.791 1.704 0 40 EDAB COC(=O)[C@H]1[C@@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@]1(C)O 4908576 VUGOLLUZWMJXDN-QEORTHHSSA-N 348.355 1.058 0 40 EDAB Cn1cc(S(N)(=O)=O)cc1C(=O)NCCc1cccc(Cl)c1 25507691 GNIXPYUWYZOTAZ-UHFFFAOYSA-N 341.820 1.298 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)NC1CCCCCC1 8133715 YHGUHBCZLQPGTL-UHFFFAOYSA-N 343.449 1.799 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)c1ccc(NC(=O)NC2CC2)cc1 58178312 VMZGXZONJAUYOV-UHFFFAOYSA-N 330.388 1.321 0 40 EDAB COc1ccc(C)cc1-n1ccc(C(=O)NCCC(=O)N(C)C)n1 58175150 PGCSXNHEOIALBO-UHFFFAOYSA-N 330.388 1.397 0 40 EDAB O=C(CN(C1CC1)[C@@H]1CCc2ccccc21)NCC(=O)N1CCCC1 58175817 ZAUTWRSJRHQGSS-GOSISDBHSA-N 341.455 1.877 0 40 EDAB Cc1ccc(C(=O)N2CCC(CC(=O)N3CCOCC3)CC2)c(O)c1 58249278 BQEJILLMHCQKHG-UHFFFAOYSA-N 346.427 1.802 0 40 EDAB C[C@H](OCCCNS(=O)(=O)N1CCOCC1)c1ccccc1 44936074 TUXGFXIWVIJDGH-AWEZNQCLSA-N 328.434 1.321 0 40 EDAB COc1ccc([C@@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1 44945933 VVBBWVKEWNDMRP-MNOVXSKESA-N 342.417 1.251 0 40 EDAB O=C(NCc1ccccn1)[C@H]1CC[C@@H]2[C@@H](CCN2c2ncccn2)O1 107207945 NGCNKAQTRNMVOK-BZUAXINKSA-N 339.399 1.314 0 40 EDAB CCOc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)cc1 45285439 UOSNOHDTJSYMSS-OAHLLOKOSA-N 334.416 1.539 0 40 EDAB COc1ccc(OC)c(CNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 89335183 RVYMTZQCUNAMEY-GFCCVEGCSA-N 342.417 1.032 0 40 EDAB COC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 68968579 NADNSFMTOVNSAR-ZJUUUORDSA-N 334.825 1.158 0 40 EDAB C[C@H](NC(=O)N(C)C[C@@H]1COc2ccccc2O1)c1nncn1C 46962221 UKPVVHJJAMCSIV-NWDGAFQWSA-N 331.376 1.358 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCc1ccc(N2CCOCC2)nc1 12225416 XUHVHAKVXAMHJJ-UHFFFAOYSA-N 343.431 1.127 0 40 EDAB CCS(=O)(=O)N1CC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1 107226252 MGGITQHXIFGGHE-RISCZKNCSA-N 329.397 1.216 0 40 EDAB CCOc1cccc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 48302290 OAUHUMZEZUXMCP-AWEZNQCLSA-N 326.418 1.126 0 40 EDAB Cc1nnc2ccc(NC[C@@H](CN(C)C)[C@H](O)c3ccccc3)nn12 48345552 KZPJZUIIZDRRLZ-MAUKXSAKSA-N 340.431 1.756 0 40 EDAB CS(=O)(=O)NCC(=O)NCCCc1cccc(Br)c1 66443413 CYSKWSWJOTTWBM-UHFFFAOYSA-N 349.250 1.047 0 40 EDAB CN(CC(=O)N1CCCC1)c1ccc2nnc(C(F)(F)F)n2n1 12921652 LKUABWAVPSPNIT-UHFFFAOYSA-N 328.298 1.202 0 40 EDAB Cc1cc(CC(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)n[nH]1 95427363 YLMZRGJJKKQFPA-UHFFFAOYSA-N 341.371 1.877 0 40 EDAB C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)nc1)Cn1cccn1 96007633 VPMVUBYFPJYIBP-SNVBAGLBSA-N 348.350 1.912 0 40 EDAB CN(C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(c2ccccc2)C1=O 110614446 IDWUMCBLDAHHFT-HOCLYGCPSA-N 336.457 1.549 0 40 EDAB CC[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccc(OC)cc1 65422907 SLARYJPSOIKFQF-AWEZNQCLSA-N 331.376 1.650 0 40 EDAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NCCc1ccco1 65475508 GAKUICSCYDURCI-UHFFFAOYSA-N 338.367 1.635 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)[C@H](O)c1ccc(F)c(F)c1 95433356 GKUDCDIONFDREU-UHLUBPPHSA-N 346.355 1.970 0 40 EDAB CC(C)c1cc(N2CC[C@@H](NS(C)(=O)=O)C2)nc(C(C)C)n1 90093639 IICCWMXYWYFASV-GFCCVEGCSA-N 326.466 1.851 0 40 EDAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)on1 7226735 JUQBQDTVEVKBGV-LLVKDONJSA-N 343.339 1.904 0 40 EDAB CC(C)CNc1nnc(S[C@@H](C)C(=O)N2CCNC2=O)s1 7268624 YNTINMRHOYLPGP-QMMMGPOBSA-N 329.451 1.638 0 40 EDAB CCn1ccnc(Sc2nnc(C3CCNCC3)n2C2CC2)c1=O 91011987 YUIDSPJFOSNGML-UHFFFAOYSA-N 346.460 1.808 0 40 EDAB O=C1CCCN1CC[C@H]1CN(C(=O)[C@H]2CCCN2)c2ccccc21 81644900 WURWLSAOCPMTDM-GOEBONIOSA-N 327.428 1.881 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1 16728360 LBDFRPMYVZGUOB-LBPRGKRZSA-N 333.413 1.613 0 40 EDAB c1csc(-c2noc(CN3CCO[C@H](Cn4cccn4)C3)n2)c1 69376824 GOWPOWMPVCLRQQ-LBPRGKRZSA-N 331.401 1.896 0 40 EDAB CCCCn1nnnc1CN1CCO[C@H](Cn2nc(C)cc2C)C1 69376485 YGSCLVFOAUGLTB-HNNXBMFYSA-N 333.440 1.188 0 40 EDAB CCCN(CC(=O)N(C)C)C(=O)CNC(=O)CCc1ccc(C)cc1 69489445 BJDDZNFQHHKNBF-UHFFFAOYSA-N 347.459 1.371 0 40 EDAB O=C(NCc1ccsc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 69484580 KWHFDBLPORINQF-AWEZNQCLSA-N 337.445 1.529 0 40 EDAB CCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)OC)cc1C 69649693 PNIPDGFGOACEGV-UHFFFAOYSA-N 328.390 1.338 0 40 EDAB C[C@H](NC(N)=O)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 69773314 VPIPTIGJIOZMHK-JTQLQIEISA-N 332.335 1.686 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(C)s2)CC1 69738093 YURZQFQOUDESHO-STQMWFEESA-N 342.486 1.700 0 40 EDAB O=c1oc2ccccc2n1CCCN1CCC[C@@H](Cn2cncn2)C1 69848476 SHEQOOCNJFJBAA-OAHLLOKOSA-N 341.415 1.988 0 40 EDAB CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(COC)nn2c1N 20636098 VGQRTMVTQLZIIV-UHFFFAOYSA-N 345.334 1.836 0 40 EDAB CC(C)[C@@H](NC(=O)CN1CCN(CCO)CC1)c1cccs1 69930115 VYPWURPKJXLIIA-MRXNPFEDSA-N 325.478 1.171 0 40 EDAB C[C@@H](C(=O)NCc1cccs1)N1CCC[C@H](Cn2cncn2)C1 69917846 YDYDFPHFPUZCCV-KBPBESRZSA-N 333.461 1.757 0 40 EDAB Cc1cnn(CCNC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 69901749 XUNCQRKFOVJLFC-MRXNPFEDSA-N 327.432 1.809 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)NCCc1cccc(F)c1 8774401 CJDQWHARRIUAPF-UHFFFAOYSA-N 326.331 1.290 0 40 EDAB Cc1nnc(CNC(=O)c2cc(F)ccc2NC(=O)[C@H]2C[C@@H]2C)n1C 72281833 LVUYLXMCTPLQHT-CABZTGNLSA-N 345.378 1.787 0 40 EDAB CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(Cc2cnc(C)cn2)C1 84258433 CAYJVECDYOCMTA-INIZCTEOSA-N 329.404 1.704 0 40 EDAB Cc1oc(C(=O)N2CC3(CC3)c3ccccc32)cc1S(N)(=O)=O 88279976 QCDLLQJFCBRZIE-UHFFFAOYSA-N 332.381 1.927 0 40 EDAB O=C(CCc1cc(F)ccc1Br)NCCc1nc[nH]n1 97107345 HTZVCIBKQJNIGY-UHFFFAOYSA-N 341.184 1.998 0 40 EDAB COc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cc1OC 72314084 SMHXMWLWNZZELE-QWHCGFSZSA-N 335.404 1.547 0 40 EDAB CS(=O)(=O)Cc1noc(NC(=O)C2C3CC4CC(C3)CC2C4)n1 95960456 DLUWOUATRLGIOX-UHFFFAOYSA-N 339.417 1.625 0 40 EDAB O=C(N[C@@H](CCO)c1ccccc1)[C@H]1CCCN(C(=O)C2CC2)C1 84522412 ZGZPHIZMRSFMMD-IRXDYDNUSA-N 330.428 1.875 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3occc3-c3ccccc3)CC2)N1 97600751 OZURMZFCBVWWIM-UHFFFAOYSA-N 339.351 1.761 0 40 EDAB CC(=O)N1CCN([C@@H]2CN(CC3(O)CCC(C)CC3)C[C@H]2C)CC1 84689248 HBYNBAXYWOHXQP-BDFRZKONSA-N 337.508 1.412 0 40 EDAB CCc1cc(=O)n2nc(NCc3c(C)cc(C)[nH]c3=O)sc2n1 75124434 XDXRRIGKVUNPRF-UHFFFAOYSA-N 331.401 1.631 0 40 EDAB CCCNC(=O)NC(C)(C)C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C 75138093 VKKRYHDZUYHEOO-CHWSQXEVSA-N 340.468 1.380 0 40 EDAB CNc1cc(N2CCC[C@H]2CNCc2c(C)nn(C)c2Cl)ncn1 75132705 DEHMEDANLCGTEG-LBPRGKRZSA-N 349.870 1.972 0 40 EDAB Cc1ccc(CCC(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)o1 89652902 SAAPGPNZHAEJMI-CQSZACIVSA-N 327.384 1.947 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C12CCC2 89985966 WIBUOEIOKCSZPD-STQMWFEESA-N 329.404 1.819 0 40 EDAB Cn1cc(-c2cnc3n2C[C@H]2CN(Cc4ccccn4)C[C@H]2C3)cn1 306139059 SOHKUPKMVOUKHZ-GDBMZVCRSA-N 334.427 1.983 0 40 EDAB CC(C)(C)OC(=O)N1CCN(c2cc([C@H]3CCCNC3)[nH]n2)CC1 521399007 GOQWAWXADUAUIT-ZDUSSCGKSA-N 335.452 1.934 0 40 EDAB C[C@@H](C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)n1cnnn1 524732400 ZIDVYWLJGAKPTK-NSHDSACASA-N 335.795 1.398 0 40 EDAB CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 32073048 OWDRHAWINOIPKS-LBPRGKRZSA-N 348.490 1.099 0 40 EDAB CCn1c(CN2CCO[C@@H](Cn3cncn3)C2)nc2cc(F)ccc21 71876617 LIWIGVIIZAHHDN-CQSZACIVSA-N 344.394 1.688 0 40 EDAB O=C(NC1CC1)c1nnn(-c2ccc(NC(=O)C3CCCC3)cc2)n1 71000753 PTTWDMJKIOYMBE-UHFFFAOYSA-N 340.387 1.683 0 40 EDAB C[C@@H]1CC(=O)Nc2c1c(NC(=O)c1ccc3c(c1)OCO3)nn2C 35597799 MMVPKQAQUSHRQN-MRVPVSSYSA-N 328.328 1.847 0 40 EDAB Cc1noc(C)c1C(=O)N[C@@H](C)Cn1nc(-c2cccs2)oc1=O 72324274 JRLIPPLOBVBAQD-QMMMGPOBSA-N 348.384 1.988 0 40 EDAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(Cc2ccon2)CC1 72723396 PITQTOXMGDNHOX-GOSISDBHSA-N 340.427 1.812 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 47322631 JCXCRNQPSQDBCK-NSHDSACASA-N 329.397 1.619 0 40 EDAB CCS[C@@H]1CCCCN(C(=O)CCCN2C(=O)CN(C)C2=O)C1 78987675 ZFBUCPPDTHTWLL-CYBMUJFWSA-N 341.477 1.795 0 40 EDAB CC(C)[C@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 78452594 DZIAXRGWMWKOMO-KCXAZCMYSA-N 343.427 1.878 0 40 EDAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3ccccn3)ccc21 225673446 QJPBBEDNTDFZAL-UHFFFAOYSA-N 335.410 1.474 0 40 EDAB CN(C)Cc1ccc(CNC(=O)N2CC[C@@H](CN(C)C)C2)cc1F 130477628 HBSQOHMTGKTGPV-HNNXBMFYSA-N 336.455 1.980 0 40 EDAB O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc[nH]c1=O 44225992 MKJKXLMMKRHAME-MNOVXSKESA-N 335.385 1.111 0 40 EDAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(C)=O 222974394 JTGOULJQLKEDCT-CQSZACIVSA-N 336.432 1.975 0 40 EDAB Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2nccn(C)c2=O)C1 572992184 MJEXPIIFYBTDOS-SNVBAGLBSA-N 341.337 1.917 0 40 EDAB Cc1cc2n(CCNS(=O)(=O)c3cn(C(C)C)cn3)ccn2n1 225580387 DCQDCTSEUNVVIS-UHFFFAOYSA-N 336.421 1.200 0 40 EDAB COc1ccc([C@H](CN[C@H]2CCS(=O)(=O)C2)N2CCCC2)cc1 40177480 XOGBJUAIHYRMBL-RDJZCZTQSA-N 338.473 1.609 0 40 EDAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cn(C)nc1OC 225710084 CDZLEPIJSJNGPF-SFHVURJKSA-N 345.399 1.391 0 40 EDAB Cc1cccn2cc(CSCc3cc(=O)n(C)c(=O)n3C)nc12 84495350 NNJGDDGBRKGUKE-UHFFFAOYSA-N 330.413 1.474 0 40 EDAB CN(C)C[C@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O 85435937 SQAIKHUDACAJSL-RYQLBKOJSA-N 337.464 1.673 0 40 EDAB biogenic,in-vitro O=C1CN(Cc2nnn(CC(F)(F)F)n2)Cc2ccccc2N1 582973439 ZFBZFMPBZUATTO-UHFFFAOYSA-N 326.282 1.190 0 40 EDAB CN1C[C@@H](c2ccccc2)[C@@]2(CCN(C(=O)N3CCOCC3)C2)C1=O 96063639 NABKHRMWGINYSO-LPHOPBHVSA-N 343.427 1.387 0 40 EDAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)Cc2ccccc2)cn1 96186502 YSSOBFONHMYZOS-IAGOWNOFSA-N 338.411 1.759 0 40 EDAB Cc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)n[nH]1 95980881 YDQPTSBKAFPDJM-QMMMGPOBSA-N 337.742 1.897 0 40 EDAB Cc1nc(N2CCCC2)nc2c1CCN(c1ncc(F)cn1)CC2 96083778 OXJNXZTYGNVFIW-UHFFFAOYSA-N 328.395 1.920 0 40 EDAB Cc1cc(C)cc(C[C@@H](C)NC(=O)NC[C@H]2CCS(=O)(=O)C2)c1 96437692 FYMVVWXGLKULKU-HUUCEWRRSA-N 338.473 1.968 0 40 EDAB Cc1csc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1 96420634 RFJMNZBCNKUQLF-HNNXBMFYSA-N 331.441 1.969 0 40 EDAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(CC2CC2)CC3)C1=O 96036513 HWQGVAFPVWCZGL-LJQANCHMSA-N 333.476 1.579 0 40 EDAB CN(C)[C@H](CNC(=O)CN1CC[C@]2(CCOC2)C1)c1ccccc1 97096463 GHZQVXSMTNCYTE-MJGOQNOKSA-N 331.460 1.518 0 40 EDAB CCOCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(F)cc1 96181759 NFEZEDFPCCOGAF-HZPDHXFCSA-N 338.379 1.267 0 40 EDAB COCCO[C@@H]1CCN(Cc2nccn2C)[C@H]1Cc1cccnc1 96069830 QLOPZWLAODNQEV-DLBZAZTESA-N 330.432 1.664 0 40 EDAB CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96101449 YOCYCJRHPCAMHJ-ZJUUUORDSA-N 332.326 1.713 0 40 EDAB COc1cccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC(=O)N(C)C)c1 96041572 FVXQRZAQSMETCN-YQVWRLOYSA-N 348.443 1.532 0 40 EDAB O=C(c1cccnc1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 96226515 RZZUAQBJFMMULB-GOSISDBHSA-N 339.399 1.383 0 40 EDAB O=C(COc1cccc2c1CCCC2)NCCCN1CCOCC1 96125644 GCMRRRZRHIVMMR-UHFFFAOYSA-N 332.444 1.783 0 40 EDAB Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3CC2CCOCC2)n1 96184213 MUSPQRAOTNAPTI-ZWKOTPCHSA-N 329.444 1.992 0 40 EDAB CCc1nn(C)c2[nH]nc(NC(=O)[C@@H](NC(C)=O)C3CCCC3)c12 96452844 NXLAPZDBFUUICV-ZDUSSCGKSA-N 332.408 1.492 0 40 EDAB Cc1ccc(F)cc1CNCC1CCN(S(=O)(=O)N(C)C)CC1 97232521 PSLWIOPQRYOYKT-UHFFFAOYSA-N 343.468 1.742 0 40 EDAB c1csc(-c2n[nH]c(CSc3nnc(Cn4cncn4)o3)n2)c1 93903614 OYZPTPSHQXFADQ-UHFFFAOYSA-N 346.401 1.848 0 40 EDAB CCc1cc(CNC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)[nH]n1 96420824 GYJPOJMUCKLPOU-ZDUSSCGKSA-N 335.452 1.666 0 40 EDAB O=C(Nc1cccnc1)C1=NO[C@]2(CCCN(C(=O)CC3CC3)C2)C1 96225032 PTBBPPCAZOBFIQ-GOSISDBHSA-N 342.399 1.958 0 40 EDAB c1cncc(COC[C@@H]2CN(C[C@@H]3CCOC3)Cc3ccnn3C2)c1 96189159 UWMPUQWVSONOTM-ZWKOTPCHSA-N 342.443 1.963 0 40 EDAB COc1ccc(-c2nccc(N3CC[C@H](O)C3)n2)c(-n2cccn2)c1 97698897 OLNPQBBNIJZZCW-ZDUSSCGKSA-N 337.383 1.909 0 40 EDAB Cc1nc(CN2CC[C@]3(CCN(Cc4cnn(C)c4)C3)C2=O)cs1 96159434 NRTMSMJLBWRCSL-KRWDZBQOSA-N 345.472 1.810 0 40 EDAB Cc1ncccc1NC(=O)C1=NO[C@@]2(CCN(C(=O)C3CC3)C2)C1 96226139 LZCFKZAKBPZQOM-KRWDZBQOSA-N 328.372 1.486 0 40 EDAB C[C@@H]1CCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CCS1 249011879 JQGMUVPSFPHRMQ-RKDXNWHRSA-N 327.372 1.590 0 40 EDAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)c1cccc3c1OCCO3)C2 248114237 IFXAHRUTZFFVIN-AWEZNQCLSA-N 346.427 1.641 0 40 EDAB O=S(=O)(NCc1ccnc([C@H]2CCCOC2)n1)c1cccs1 257232923 GMZCQXDPSABHKC-NSHDSACASA-N 339.442 1.911 0 40 EDAB O=C(CCCn1cccn1)N1CCO[C@H](CCc2cc(O)ncn2)C1 257220965 DMZNQTZCKSGSMQ-OAHLLOKOSA-N 345.403 1.019 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(Cc2cccc(Br)c2)C1 257257339 KPCZPTWENZGBRN-CYBMUJFWSA-N 340.265 1.559 0 40 EDAB Cc1cc(N)cc([C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)n1 257217251 CYFCSCYKPAXOKA-OAHLLOKOSA-N 334.401 1.129 0 40 EDAB N[C@]1(CO)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252514486 CPMGZWJFQHDAPZ-BZUAXINKSA-N 337.828 1.970 0 40 EDAB CN(C(=O)c1ccn(C)n1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257276862 NVKKFCBBFHPCDX-BRWVUGGUSA-N 329.400 1.853 0 40 EDAB CNC(=O)c1cn[nH]c1[C@]1(C)CCCN(Cc2cnc(NC)nc2)C1 257324032 WMVZYLDLTOOPFJ-QGZVFWFLSA-N 343.435 1.155 0 40 EDAB CCCS(=O)(=O)N1CCN(C=O)C[C@H]1c1ccc(OC)cc1 257326110 WVVZYAJFMISCFY-HNNXBMFYSA-N 326.418 1.250 0 40 EDAB CO[C@H]1CN(S(=O)(=O)Cc2ccccc2)CC[C@@]12CCCO2 257221789 DQMQCFGWJRUWAN-HOTGVXAUSA-N 325.430 1.786 0 40 EDAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccs3)C2)ncn1 257278662 ODCUOCWDZZUOQG-QGZVFWFLSA-N 346.456 1.950 0 40 EDAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257324446 WOSIVCYUTSEMMF-LBPRGKRZSA-N 336.421 1.118 0 40 EDAB CNc1ncccc1CN1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257238408 HKWPWDLNFDHMDM-LLVKDONJSA-N 335.433 1.239 0 40 EDAB O=C([C@H]1CC[C@@H]1c1ccc(F)cc1)N1CC(C2CS(=O)(=O)C2)C1 530265639 ADZHGFTXWBHRML-CVEARBPZSA-N 337.416 1.822 0 40 EDAB C[C@@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)c1cc(C(=O)O)ccc1F 1604690834 BFKMOYZUCBUMCU-SCZZXKLOSA-N 345.348 1.398 0 40 EDAB O=C1CN(S(=O)(=O)c2cccc(F)c2)CCN1CC(F)(F)F 285468874 USHYRAAFOCLJEW-UHFFFAOYSA-N 340.298 1.221 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)nn1 96120377 DLOOVTZLNIDIOI-UHFFFAOYSA-N 343.387 1.456 0 40 EDAB O=C([C@@H]1CCOC1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575404464 CUOLQARVEUCYHC-GDBMZVCRSA-N 327.384 1.709 0 40 EDAB C[C@@H](Oc1cccc(F)c1)C(=O)NCCn1cnc(C2CC2)cc1=O 575604067 PWPUSXGCGUMITF-GFCCVEGCSA-N 345.374 1.844 0 40 EDAB COc1nc(CNC(=O)c2ccccc2C(F)(F)F)nc(OC)n1 575603841 LQTVSNHULJULLR-UHFFFAOYSA-N 342.277 1.838 0 40 EDAB CCOCC(=O)N1CCn2cc(CC(=O)NC3CCCC3)nc2[C@H]1C 585097552 LQQKVPSUSGCMAG-CYBMUJFWSA-N 348.447 1.424 0 40 EDAB CCc1ccc(CN2CCC(N(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1 585290580 FNEFPKHUSACWCA-AQNXPRMDSA-N 348.487 1.266 0 40 EDAB Cc1cc(F)ccc1CC(=O)N1CC2(C[C@@H](CO)CN2CC2CC2)C1 585093873 LUOXUWPFXFGCBD-MRXNPFEDSA-N 346.446 1.982 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)Cc1cnc[nH]1 585287933 IKBPMIQOHFMIQT-SUMWQHHRSA-N 334.420 1.017 0 40 EDAB CC(C)CC(=O)N1CCn2cc(CC(=O)N3CC=CC3)nc2[C@H]1C 585097653 MDGJRZRRQNDBAX-CQSZACIVSA-N 330.432 1.773 0 40 EDAB Cc1cccc(N2CCC(O)(CN3CCC[C@@](C)(C(N)=O)C3)CC2)c1 585284627 UCSRQHABZLBJMY-LJQANCHMSA-N 345.487 1.914 0 40 EDAB Brc1cnc(N[C@@H]2CCN(C3CCOCC3)C2)nc1 1889057305 NTQMBGQCKJTLBJ-LLVKDONJSA-N 327.226 1.904 0 40 EDAB COc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(C(N)=O)c1 51970552 DJFXRBCYGXVRMD-UHFFFAOYSA-N 345.380 1.751 0 40 EDAB O=S(=O)(N1CCCCC1)N1CCC[C@H]1c1nnc2ccccn12 42676458 OTXNZBVGQFXBMH-ZDUSSCGKSA-N 335.433 1.597 0 40 EDAB Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)N1CCCCCC1 95980151 FMKZPQQWMDUVDB-AWEZNQCLSA-N 342.465 1.521 0 40 EDAB O=C(c1cncnc1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615161065 LOTZYEWAJLVZIK-JKSUJKDBSA-N 337.420 1.011 0 40 EDAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)c3cncc(O)c3)cc2n1 12337026 XYKDKNMAUKHBJC-CQSZACIVSA-N 339.355 1.821 0 40 EDAB NC(=O)CN1CCC(Nc2ncnc3sc4c(c23)CCCC4)CC1 12813840 QKLQAFQKEKGKEG-UHFFFAOYSA-N 345.472 1.932 0 40 EDAB Cc1nnc(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)s1 14680826 VKFKEDCATRKSME-VIFPVBQESA-N 332.385 1.989 0 40 EDAB CN1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)CC1 15674207 DFWFPGRBMFETDM-HIFRSBDPSA-N 329.404 1.334 0 40 EDAB biogenic,in-vitro COC(=O)C[C@@H]1SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 16739627 WUDAWDGZUDNFCP-NSHDSACASA-N 336.369 1.561 0 40 EDAB Cn1c(=O)c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2n(C)c1=O 17105142 WRSLFYKLMCIMDK-UHFFFAOYSA-N 325.155 1.934 0 40 EDAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1ccc2c(c1)OCO2 575415683 OAOKLYMDJWHMHB-OAHLLOKOSA-N 332.400 1.646 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N(C)Cc2cccc(F)c2)on1 36398119 MTORUPBKZHOLLD-UHFFFAOYSA-N 340.376 1.696 0 40 EDAB Cc1oncc1CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 852335689 KQDAGULBJKYVSC-IYBDPMFKSA-N 325.368 1.600 0 40 EDAB Cc1cccc2sc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)nc12 25051501 XIHSDJLTTOEYOH-SNVBAGLBSA-N 339.442 1.967 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)NC[C@H]3CCCO3)n2)cn1 238812736 ARWDNPJQVVUROP-GFCCVEGCSA-N 347.375 1.509 0 40 EDAB O=C(Cc1ccccc1Cl)N1CCC(N2C(=O)COC2=O)CC1 244909755 ATQYFCLJERTORU-UHFFFAOYSA-N 336.775 1.852 0 40 EDAB COCCC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037841156 YNEJTBPXAXCQDI-GOSISDBHSA-N 332.400 1.448 0 40 EDAB CCn1nccc1C(=O)N1C[C@@H]2OCCN(c3ccccn3)[C@H]2C1 2056223573 SWSXOYUDCMBUOY-GJZGRUSLSA-N 327.388 1.028 0 40 EDAB COCCNC(=O)[C@@]12C[C@H]1CCN2C(=O)Nc1ccc(F)c(F)c1 2056224903 FBEMRGBLVUQPLE-QLJPJBMISA-N 339.342 1.724 0 40 EDAB CCN(C)C(=O)c1cnn2c1CN(C(=O)C1CC(F)(F)C1)CCC2 1565546324 ZGDWMMCRSJYDDU-UHFFFAOYSA-N 340.374 1.753 0 40 EDAB O=C(Cc1ccc(F)cn1)N1CCC[C@@]2(C[C@H](n3ccnc3)CO2)C1 1565549488 XXRMETLJVZFDOP-FUHWJXTLSA-N 344.390 1.983 0 40 EDAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)C(C)C)cnc32)cc1C 9563067 RLZWIGJKLYLWEV-UHFFFAOYSA-N 325.372 1.925 0 40 EDAB O=C(NCc1ccccn1)c1ccc(=O)n(Cc2cccc(F)c2)n1 11781357 PLZCNBQMQMFMDC-UHFFFAOYSA-N 338.342 1.756 0 40 EDAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cccs2)cc1 11739561 FTYYFVZORGIOKV-UHFFFAOYSA-N 331.397 1.866 0 40 EDAB COCCNC(=O)C1(Nc2ccccc2)CCN(C(=O)C2CC2)CC1 2055756332 CAGODLNFMQBRSL-UHFFFAOYSA-N 345.443 1.632 0 40 EDAB Cc1nnc(NC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)s1 22768886 NCBMHUFPPUXQOS-MRVPVSSYSA-N 349.441 1.568 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)c2c(F)cccc2F)CC1 43979656 OWYSDIVOTHFGKU-UHFFFAOYSA-N 332.372 1.366 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](O)c1cccn1C 75155151 SPYODLCZEOILRC-CQSZACIVSA-N 331.372 1.130 0 40 EDAB O=S(=O)(CCc1ccccc1)NC[C@@H](O)c1ccc2c(c1)CCO2 85559386 LMOMYRVPMLDPMN-QGZVFWFLSA-N 347.436 1.817 0 40 EDAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cc1 96192255 SZQFBWCUELCIHH-ZDUSSCGKSA-N 328.372 1.098 0 40 EDAB C[C@H]1Oc2ccccc2N(CC(=O)NCCCn2cccn2)C1=O 30167335 XFLONAOLQGOCHN-CYBMUJFWSA-N 328.372 1.204 0 40 EDAB COc1ccc(OC)c2c1CN(Cc1ccc(C(N)=O)cc1)C[C@H]2O 30588761 XXZKMDQPHNYRKD-OAHLLOKOSA-N 342.395 1.852 0 40 EDAB CC(C)(C)NC(=O)CN1CCCN(C(=O)COc2ccccc2)CC1 40481338 YFMVIUGJUZEZKY-UHFFFAOYSA-N 347.459 1.514 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCO[C@H]4CCCC[C@H]43)cnc12 40553918 BZQRRLRTNNOEBN-CVEARBPZSA-N 341.411 1.875 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)N1CCO[C@H]2CCCC[C@H]21 40553914 LLZLULZDMWMDEM-CVEARBPZSA-N 342.399 1.352 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@H]12 101005180 QGYZDBKPWFYVGA-YPMHNXCESA-N 344.327 1.023 0 40 EDAB CNC(=O)[C@H]1CN(Cc2noc(C(C)(C)C)n2)c2ccccc2O1 52048023 PGNIOUSAQINGEM-CYBMUJFWSA-N 330.388 1.881 0 40 EDAB CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 101948150 HJQFIYOXJTWIPH-CYJAXWMASA-N 343.379 1.935 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)OCO2 102369829 DTXFRXHVAZUGKX-TXEJJXNPSA-N 328.324 1.305 0 40 EDAB CCOC(=O)[C@H]1C[C@@H](C(=O)OCC)CN(C(=O)OC(C)(C)C)C1 103016825 OEOOJIYWFRSNCG-TXEJJXNPSA-N 329.393 1.986 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(C)c1 103063981 RNSZBHDTXLAOGU-USJZOSNVSA-N 338.407 1.727 0 40 EDAB Cc1nc(CC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cs1 22619189 VULITBUMSFVMJU-UHFFFAOYSA-N 346.364 1.751 0 40 EDAB COc1cc(NC(=O)c2cc(=O)c(OC)cn2C)cc(OC)c1OC 23135506 BJWRHPNWYDJCEZ-UHFFFAOYSA-N 348.355 1.672 0 40 EDAB CN(CCCNC(=O)C(=O)Nc1ccn(C)n1)c1cccc(F)c1 77734964 GICYRKZUZSLIFX-UHFFFAOYSA-N 333.367 1.140 0 40 EDAB CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 538890 CCSGGTFSSREGNN-XJIUQZFPSA-N 333.409 1.982 0 40 EDAB O=C(O)CCCCCNC(=O)Cn1nc(-c2ccco2)ccc1=O 61717855 NABAXVPWEMZGQJ-UHFFFAOYSA-N 333.344 1.265 0 40 EDAB O=C(Oc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)nc1 24601550 ATKDKQKWWPJSEY-UHFFFAOYSA-N 328.324 1.866 0 40 EDAB CCc1nc(CN(C)[C@@H]2CCN(CC(=O)Nc3cc(C)no3)C2)no1 78891482 VTMRHOKPPJQVIV-GFCCVEGCSA-N 348.407 1.073 0 40 EDAB CC[C@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)C[C@H](C)O1 78925435 XHINUBBTYIQSLL-ZFWWWQNUSA-N 325.453 1.892 0 40 EDAB COc1nc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc2ccccc12 79085244 UDQRZUARKZKIRJ-AAEUAGOBSA-N 327.384 1.969 0 40 EDAB COc1ccc([C@@H]2c3c(C)n[nH]c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1O 79487692 RZAIMDYMJGOEQF-LLVKDONJSA-N 341.327 1.046 0 40 EDAB CCOC(=O)N1CCN(C(=O)CCCc2nnc3ccccn23)CC1 79474858 DZMLJKCOAANQQM-UHFFFAOYSA-N 345.403 1.353 0 40 EDAB Cn1cc(-c2nc(C(=O)N3CCN(CC(C)(C)O)CC3)cs2)cn1 106398835 XVWGCYDZJSJDPF-UHFFFAOYSA-N 349.460 1.072 0 40 EDAB C[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 4086259 ZYKIRSKDFLPXJW-XPLICSAQSA-N 334.397 1.624 0 40 EDAB biogenic CNC(=O)CSc1nnc(Cc2ccccc2)n1CCCOC 4161284 HYRQBMKQXGYXNA-UHFFFAOYSA-N 334.445 1.744 0 40 EDAB C[C@@H](OC(=O)CCN1C(=O)CCC1=O)C(=O)Nc1ccccc1F 25124934 ZKYAHJBVXYHBIT-SNVBAGLBSA-N 336.319 1.235 0 40 EDAB CC[C@@H]1CN([C@H](C)C(=O)NCc2ccccc2C)CCN1C[C@H](C)O 106906774 OBQLUIHPFWKKSM-YQVWRLOYSA-N 347.503 1.777 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCC(C)C)cc1 6357869 RKZHRWOSSOXXLB-GFCCVEGCSA-N 328.434 1.524 0 40 EDAB O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1nccs1 6677987 OUMYKQHDGUFLNA-UHFFFAOYSA-N 340.411 1.878 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)NC(N)=O 7477674 LOCQIRNOPMDXGN-NSHDSACASA-N 330.344 1.229 0 40 EDAB Cc1cnc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cn1 7536929 NTWDWIZKLSOGNO-UHFFFAOYSA-N 340.383 1.291 0 40 EDAB Cc1ccc([C@@H](C)NC(=O)NC2CCN(S(C)(=O)=O)CC2)o1 43720079 YHEASKRZFDEDCA-LLVKDONJSA-N 329.422 1.372 0 40 EDAB O=C1NC(=O)/C(=C\c2cc(Br)c(N3CCOCC3)o2)N1 59249055 UWDVOHSUNKNDKO-RMKNXTFCSA-N 342.149 1.059 0 40 EDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)C(=O)NCc1ccccc1 107504662 HZFDWYRXQALTEE-OLMNPRSZSA-N 331.460 1.928 0 40 EDAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)C2CC2)CC1 43964001 WHVLZJKRWLFGKN-LLVKDONJSA-N 339.436 1.417 0 40 EDAB COc1ccc(-n2c(O)nc3nc(-n4ccnc4)ncc3c2=O)cc1 57351994 VKBSSRWZVHBVHQ-UHFFFAOYSA-N 336.311 1.076 0 40 EDAB C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1nncn1C 89913955 RJLYCZWHGNXAME-STQMWFEESA-N 332.408 1.605 0 40 EDAB CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C=C(C)C)CC1 57736728 FLHWJYQOPUDCBS-UHFFFAOYSA-N 337.445 1.210 0 40 EDAB C[C@@H]1c2cccn2CCN1CCOc1ccc(S(N)(=O)=O)cc1 27368172 HTHVHGQJVDXXPH-CYBMUJFWSA-N 335.429 1.591 0 40 EDAB O=C(CCc1nc(-c2ccccc2)no1)NC[C@@H]1CCS(=O)(=O)C1 44720224 YJBYWCIKADPTHH-LBPRGKRZSA-N 349.412 1.220 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(C)c(NS(C)(=O)=O)c1 58159532 BMTYQPLZLHIYDD-JTQLQIEISA-N 342.421 1.013 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)c2cccnc2N2CCCC2)C1 44893844 GQQUKPNZHVPTRN-INIZCTEOSA-N 346.475 1.768 0 40 EDAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc[nH]1 58247028 TTZNDISGVQJZMH-UHFFFAOYSA-N 333.413 1.729 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)c1nnc2ccccn12 44948134 SMFUISKNYZLPPR-VXGBXAGGSA-N 336.417 1.198 0 40 EDAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1nc(C2CC2)no1 44907906 XAFJPSTWORPICY-SNVBAGLBSA-N 336.417 1.787 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCCOC(C)C 9315009 YNKYYROJVSTSFY-UHFFFAOYSA-N 342.461 1.790 0 40 EDAB C[C@H]1CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)[C@@H](C)CO1 58345446 GQARWNZAQLOJHH-STQMWFEESA-N 343.383 1.707 0 40 EDAB COC(=O)[C@H](NC(=O)c1cn2cccnc2n1)c1cc(F)ccc1F 58406426 ZFMKCPZJCGRHBI-CYBMUJFWSA-N 346.293 1.652 0 40 EDAB C[S@](=O)c1ncn(C[C@@H](O)Cc2ccccc2C(F)(F)F)n1 95438976 NLLAGSDPOAUXCA-MLMJSJRWSA-N 333.335 1.638 0 40 EDAB Cc1ccc(OCC(=O)Nc2nnc(S(C)(=O)=O)s2)cc1 27579604 YHZCKCKTYHJNDW-UHFFFAOYSA-N 327.387 1.268 0 40 EDAB OCc1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(CO)cc2)cc1 28294260 OEWQHIUCWLZYRT-ROUUACIJSA-N 332.352 1.828 0 40 EDAB CCN(Cc1ccco1)C(=O)c1cc(S(=O)(=O)NC)cn1C 45374643 WTSGSTQRZFXZKH-UHFFFAOYSA-N 325.390 1.189 0 40 EDAB O=C([C@@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]1O2)N1CCOCC1 107264267 RAAUXIRFUNGSEH-RCCFBDPRSA-N 330.428 1.177 0 40 EDAB O=C(CNC(=O)[C@@H]1CCCN1c1nccs1)NCc1ccco1 75516231 XWMABASQVQYJEH-LBPRGKRZSA-N 334.401 1.138 0 40 EDAB COc1ccccc1OCCNS(=O)(=O)N1CCCC[C@H]1C 45797196 VWVGUJSKKHMLHN-CYBMUJFWSA-N 328.434 1.783 0 40 EDAB O=C1CC(=O)N2C(=N1)SC[C@]2(O)c1ccc(Br)cc1 102616178 MUAMUSWCVBKLJY-LBPRGKRZSA-N 341.186 1.456 0 40 EDAB Cc1ccc2oc(C(=O)N3C[C@@H](N4CCOCC4)[C@H](C)C3)cc2n1 76051959 QKGHFIKCDMTYEI-IUODEOHRSA-N 329.400 1.929 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCc1ccc2c(c1)OCCO2 47030450 HAJMLXKTIXTDMK-UHFFFAOYSA-N 338.385 1.584 0 40 EDAB CNC(=O)C1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 61386966 FBUKJWUKRWSPDH-UHFFFAOYSA-N 331.420 1.672 0 40 EDAB CC(=O)NCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 12697138 VSMBVWXGTZZHBQ-UHFFFAOYSA-N 332.187 1.526 0 40 EDAB O=C1CC[C@@H](C(=O)NCc2ccnc(OCC(F)(F)F)c2)CN1 48220950 NZOPYEZCPLTQNH-SNVBAGLBSA-N 331.294 1.165 0 40 EDAB O=C(CN1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]21)Nc1ccccc1 102437016 LFJFUGNXVQEWQE-HZPDHXFCSA-N 339.326 1.390 0 40 EDAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(-n2cnnn2)cc1 3416993 PRZSZNSROZFWMD-STQMWFEESA-N 343.387 1.609 0 40 EDAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCN1CCN(C)CC1 20107258 MICHDBGVBIRHMC-SFHVURJKSA-N 333.476 1.906 0 40 EDAB COC(=O)CCCNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 12986238 SBLUARGOLWWWGG-NSHDSACASA-N 338.791 1.762 0 40 EDAB C[C@H](CNCc1c[nH]nc1-c1ccc2c(c1)OCO2)N1CCOCC1 48709871 LFGWUOLJQVEHMA-CYBMUJFWSA-N 344.415 1.616 0 40 EDAB CCOC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 3907013 JTNKXJRSAMLJJP-RYUDHWBXSA-N 340.426 1.544 0 40 EDAB O=C(CCCNC(=O)c1ccco1)N[C@H]1CCCCC[C@@H]1C(=O)O 95409831 JWKAROVSTBTZRM-STQMWFEESA-N 336.388 1.939 0 40 EDAB O[C@@]1(CNCc2noc(-c3ccco3)n2)CCCN2CCCC[C@@H]21 63846652 NLVKPYVEWKMADI-RHSMWYFYSA-N 332.404 1.799 0 40 EDAB CC(=O)NCCC(=O)OCC(=O)Nc1ccc(Br)cc1 4339401 KGJGABCWCZESOQ-UHFFFAOYSA-N 343.177 1.457 0 40 EDAB CN(CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1CC1 65402549 BNRMIHPCXFHPGE-MRXNPFEDSA-N 329.444 1.288 0 40 EDAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc[nH]c2=O)CC1 73445832 GPQUJUWJDYSWQQ-UHFFFAOYSA-N 326.352 1.816 0 40 EDAB C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)NC1CC1 14070820 PTBIZRWSOJUWGA-BMLIUANNSA-N 346.408 1.826 0 40 EDAB COCCCN(C(=O)c1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 65540725 LLPMWLBDXZLMIU-MRXNPFEDSA-N 339.457 1.969 0 40 EDAB NC(=O)c1ccc(C(F)(F)F)n(C[C@H](O)c2ccccc2)c1=O 14153143 ZLRNTOJLNLEBET-NSHDSACASA-N 326.274 1.700 0 40 EDAB CC(C)(C)NC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1 4563189 LTTZDGZVQGSKPS-UHFFFAOYSA-N 331.372 1.627 0 40 EDAB CCN(C(=O)CSCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 66276011 VQHLIXKMQDQRDK-LBPRGKRZSA-N 346.474 1.560 0 40 EDAB COC(=O)Nc1cc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)ccc1F 66489398 RKUQZVGYLALIJA-SECBINFHSA-N 335.335 1.953 0 40 EDAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(N)(=O)=O)cc1 5860109 RFCSPYCVNAAOBI-SNVBAGLBSA-N 338.360 1.879 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1nnc2ccccn12 7988520 XGTZFKFDVPHPFA-UHFFFAOYSA-N 344.396 1.371 0 40 EDAB Cc1nnc(S[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)n1N 8140121 BBDPKLPXQPDAMQ-HQYIZWOGSA-N 335.477 1.866 0 40 EDAB CNC(=O)C1(C(=O)N2CCC(Nc3ccc(C)nn3)CC2)CCC1 71879504 FVKIVNNKSGDJTQ-UHFFFAOYSA-N 331.420 1.104 0 40 EDAB Cc1cc(NC(=O)[C@H](C)Nc2ccc(CS(C)(=O)=O)cc2)no1 69149835 GFHQKLNGWXOXIH-NSHDSACASA-N 337.401 1.967 0 40 EDAB COc1ncccc1CNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 69349981 PKUACTNRYRSHAA-LLVKDONJSA-N 339.351 1.391 0 40 EDAB Cc1nc(NC[C@@H]2CN(C)CCO2)c2cnn(-c3ccccc3)c2n1 69323783 JYWBDLBLURBUGL-OAHLLOKOSA-N 338.415 1.866 0 40 EDAB Cc1ccc(CN(C(=O)NCCNS(C)(=O)=O)C(C)C)s1 69351781 NJXQAPXWHILRBD-UHFFFAOYSA-N 333.479 1.526 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N1CC[C@H]2CCCC[C@H]2C1 8368804 YFUQOYSTNDQPOG-KGLIPLIRSA-N 326.400 1.830 0 40 EDAB C[C@H]1CN(Cc2nc(C3CC3)no2)CCN1c1ccc2nncn2n1 69458720 BUUPURFSDNDCFY-NSHDSACASA-N 340.391 1.095 0 40 EDAB CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)CCN2CCOCC2)c1 69453105 RKQSWGISXVGYAO-AWEZNQCLSA-N 348.447 1.680 0 40 EDAB Cc1cnn(CC2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)c1 71877035 JCTYYSHLVSSTFX-MSOLQXFVSA-N 337.464 1.460 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2C(=O)CS(=O)(=O)C(C)C)c1 71865985 RLVHIGZBQFXNME-CQSZACIVSA-N 327.450 1.396 0 40 EDAB NC(=O)C1CCN(Cc2cc(Br)c3c(c2)OCO3)CC1 71824635 XOPLNXBSNKYYTA-UHFFFAOYSA-N 341.205 1.875 0 40 EDAB Cc1cc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)nn1-c1ccccc1 69570542 DMKVZNMZIKAGSI-OAHLLOKOSA-N 338.367 1.200 0 40 EDAB O=C1CC[C@@H](C(=O)N2CCC(CN3CCc4ccccc43)CC2)N1 71896796 BYKUYDPICGFAMB-INIZCTEOSA-N 327.428 1.566 0 40 EDAB C[C@@]1(CNC(=O)N2CCS(=O)(=O)CC2)CCCc2ccccc21 95984150 SBDCKJCHOMOHKE-KRWDZBQOSA-N 336.457 1.721 0 40 EDAB O=C(CCc1ccsc1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1 69738228 GDJBEPYNJKSGMI-UONOGXRCSA-N 342.486 1.058 0 40 EDAB COc1ccc2oc(C(=O)NCCCN3C(=O)CNC3=O)c(C)c2c1 69779730 CMXVHTDLCMKSIW-UHFFFAOYSA-N 345.355 1.422 0 40 EDAB Cc1[nH]ncc1S(=O)(=O)N1CCC[C@H]1c1nncn1CC(C)C 71915818 ZPFHNBXIIGLCMN-LBPRGKRZSA-N 338.437 1.491 0 40 EDAB Cc1cccc(CS(=O)(=O)NCc2nc(-c3ccco3)n[nH]2)c1 71904724 QLUOVKQPHHOLGK-UHFFFAOYSA-N 332.385 1.993 0 40 EDAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)N1CCCC1 69976104 VBVVEWODGIEMHF-CQSZACIVSA-N 325.453 1.988 0 40 EDAB CCN1CCN(C2CCN([C@@H](C)C(=O)NCc3ccco3)CC2)C1=O 69927988 BBHUBPKLJGTNGI-AWEZNQCLSA-N 348.447 1.506 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cnn(C)c2)c1C 8706081 MHRSIIDLMPOPHW-LLVKDONJSA-N 347.371 1.970 0 40 EDAB O=C(CN1C(=O)CC2(CCCC2)C1=O)NCc1ccc2c(c1)OCO2 8883318 MDXNTTOVCPTECP-UHFFFAOYSA-N 344.367 1.351 0 40 EDAB COc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1F 71069592 MXNBXJIHWUXDMC-UHFFFAOYSA-N 346.362 1.550 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCC[C@H](n3nc(C)cc3C)C2)cn1 72235775 RUPJKLJWPHZJLU-HNNXBMFYSA-N 341.415 1.732 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)CN(C)c2cnccn2)C1 72234632 CHAUDILIVAVOKL-AWEZNQCLSA-N 328.420 1.535 0 40 EDAB COc1c([C@H]2CCCN2C(=O)COc2cccnc2)c(C)nn1C 72253215 ZAYTUOFCRKWIFY-CQSZACIVSA-N 330.388 1.875 0 40 EDAB CCOc1ccc2c(c1)C[C@@H](C(=O)N[C@@H]1CCc3nccn3C1)CO2 72270300 QWWPZRZKJHZHPE-HUUCEWRRSA-N 341.411 1.964 0 40 EDAB C[C@H](NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)NC(C)(C)C 89448489 JGVJWQFTGCSQOD-UWVGGRQHSA-N 347.385 1.796 0 40 EDAB O=C(NCCNc1nnnn1-c1ccccc1)[C@H]1C[C@@H]1c1ccco1 84572623 VIHCGBQUWYWKNO-KBPBESRZSA-N 338.371 1.587 0 40 EDAB Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)N1CCC[C@@H]1C(N)=O 89544354 HBNLKYNTOBOBLB-OAHLLOKOSA-N 346.818 1.983 0 40 EDAB COC(=O)CNS(=O)(=O)c1ccc(N(C)Cc2ccccc2)nc1 75147128 JUHFAELBVODEFQ-UHFFFAOYSA-N 349.412 1.169 0 40 EDAB O=C([C@H]1CCCN1C(=O)NCC(F)(F)F)N1CCSCC1 75139309 SXLUHCKSZLJJLI-SECBINFHSA-N 325.356 1.298 0 40 EDAB Cc1csc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)n1 89705742 DSHKBTQTWOYIAH-ZDUSSCGKSA-N 331.397 1.818 0 40 EDAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(S(C)(=O)=O)s1 27664573 MGNHNHKRWVBQHF-SSDOTTSWSA-N 345.377 1.487 0 40 EDAB CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3cccs3)C[C@H]1C2 306140641 UZKGBXJSARIRKO-CHWSQXEVSA-N 345.472 1.782 0 40 EDAB COC[C@H](C)NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 408614844 ITVPBKCAHDWUSJ-ZDUSSCGKSA-N 328.434 1.221 0 40 EDAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)NC(C)C)O2 64988417 ZMYKZWWDTDYSJV-CQSZACIVSA-N 326.418 1.437 0 40 EDAB O=C(c1ccc(NC[C@H](O)c2cccc(O)c2)nc1)N1CCOCC1 1529186374 XTWKRXXZVBIHJV-INIZCTEOSA-N 343.383 1.405 0 40 EDAB O=C(NCCN1CCCOCC1)N[C@H]1CCN(CC2CCCC2)C1 187225503 HUWMIWXWIKEKLT-KRWDZBQOSA-N 338.496 1.272 0 40 EDAB Nc1cc(-n2cnnc2)ccc1N1CCN(C(=O)c2ccco2)CC1 70461910 WLVKWFRTRKEEBN-UHFFFAOYSA-N 338.371 1.405 0 40 EDAB CCOc1ccccc1N1C(=O)C[C@@H](N2CCN(CC)CC2)C1=O 36633905 NOCGLKSVECQUJD-OAHLLOKOSA-N 331.416 1.355 0 40 EDAB Cc1cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)no1 38592756 DXDMHHPIXWOEHM-UHFFFAOYSA-N 328.416 1.925 0 40 EDAB CCOC(=O)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 79501143 RUAGPWVWYJAGOA-UHFFFAOYSA-N 329.312 1.474 0 40 EDAB CS(=O)(=O)CCN1CCN(c2ncc(Cl)cc2Cl)CC1 44975899 DCADGBWMPVGFPE-UHFFFAOYSA-N 338.260 1.555 0 40 EDAB Cc1ccc(-n2ccnc2)c(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1 73829118 MLHOYIJCDRWHCR-UONOGXRCSA-N 347.440 1.828 0 40 EDAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(Cc2ccncc2)CC1 70782972 ISUAVGNOMIWJIY-RDJZCZTQSA-N 333.432 1.310 0 40 EDAB O=C(Nc1nc(C(=O)N2CCc3ccccc32)co1)c1cnccn1 75157970 CSXBOZYLEOWUKB-UHFFFAOYSA-N 335.323 1.920 0 40 EDAB COc1ccc(CCS(=O)(=O)NC[C@](C)(O)CCSC)cc1 75157589 GLJVMYLBPCFNEV-OAHLLOKOSA-N 347.502 1.661 0 40 EDAB CC(C)(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)O 563071523 FLHGJCNYARGZBM-FRRDWIJNSA-N 348.465 1.211 0 40 EDAB O=C(Nc1cc(F)ccc1-n1cccn1)N[C@@H]1CCCCNC1=O 78611667 XTAMRDQUFGEUHK-GFCCVEGCSA-N 331.351 1.802 0 40 EDAB O=S(=O)(c1ccccc1)[C@@H]1[C@@H](c2ccc(F)cc2)C1(CO)CO 218449456 WSXDTOVYXUZAOF-HZPDHXFCSA-N 336.384 1.736 0 40 EDAB O=C(c1ccco1)N1CCCN(C(=O)[C@H](O)c2ccccc2)CC1 73286573 PWFKDLJMWPHOJC-MRXNPFEDSA-N 328.368 1.688 0 40 EDAB CN1CC[C@H](C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1=O 44328673 BKTHSJCMXYKOLN-HNNXBMFYSA-N 349.862 1.853 0 40 EDAB COc1ccc(NC(=O)[C@]23C[C@@H]2CCN(C)S3(=O)=O)c(OC)c1 225953308 PTYWDTNGMALWIC-BONVTDFDSA-N 340.401 1.066 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3cnccn3)CC2)c1C 40039615 FLGGUBINWLVPMN-UHFFFAOYSA-N 327.388 1.587 0 40 EDAB CN(c1ccc(C(=O)NCCOc2ccccc2)cc1)S(C)(=O)=O 223860323 GWEISJXBBNYTTR-UHFFFAOYSA-N 348.424 1.891 0 40 EDAB O=C(O)[C@H](NS(=O)(=O)c1cnc2ccsc2c1)[C@@H]1CCOC1 572908585 HLFNHGSSCXTXDO-PRHODGIISA-N 342.398 1.064 0 40 EDAB Cc1noc(C)c1C[C@@H](C)NC(=O)c1cc(N2CCOCC2)ccn1 131187416 MKMIWPWESALMJV-GFCCVEGCSA-N 344.415 1.884 0 40 EDAB Cc1sc2c(C)cccc2c1S(=O)(=O)N[C@@H]1COC[C@H]1O 333630094 ATIXYAXYOHCINE-VXGBXAGGSA-N 327.427 1.556 0 40 EDAB CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)CC(C)(C)C)[C@H]1O 514289003 NTNLNAALFXARFM-JENIJYKNSA-N 348.487 1.842 0 40 EDAB biogenic,in-vitro Cc1noc(C[C@@H]2COC[C@H]3CN(C(=O)c4cccn4C)C[C@@H]23)n1 96057264 YTBBTTRDRMXKDM-MCIONIFRSA-N 330.388 1.294 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)N1CC1CC1 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XFXUBGXYHGIOME-CZUORRHYSA-N 338.473 1.424 0 40 EDAB O=C1NC2(CCCC2)C(=O)N1C[C@@H]1CN(c2ccccc2)C(=O)O1 95944862 GBWNTPAXWSHFIO-ZDUSSCGKSA-N 329.356 1.876 0 40 EDAB O=C(c1cnccn1)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 96238721 JQRKYTVWOUFCRG-SFHVURJKSA-N 340.358 1.885 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(CN)CO 242495535 GISYQPJWARCQMP-XQQFMLRXSA-N 348.262 1.287 0 40 EDAB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CO)C(=O)O)cc1 242574964 NMHKLPFJRRCWTJ-SOLBZPMBSA-N 346.404 1.998 0 40 EDAB CC(C)(C)OC(=O)NC(C)(C)c1cc(CN2CCNC(=O)C2)on1 585086121 FPYCZOFSZCCZLB-UHFFFAOYSA-N 338.408 1.366 0 40 EDAB COC1(OC)CCOC[C@@H]1NC(=O)c1cc(F)c(F)c(F)c1F 585127826 KPKHVTQTFWWDCQ-VIFPVBQESA-N 337.269 1.751 0 40 EDAB COc1cccc(-n2cc(NC(=O)COC[C@@H]3CCCO3)nn2)c1 585124454 DRNZCHVWYAIIAV-AWEZNQCLSA-N 332.360 1.410 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H]2CCN(C(C)=O)C2)c(C)c1 585114962 GWYISWPUVTZEGX-ZDUSSCGKSA-N 326.418 1.150 0 40 EDAB O=C(NCc1ccc(Oc2ccccc2)cn1)[C@@H]1CCS(=O)(=O)C1 585126100 OLFLNOZUEHXGMQ-CYBMUJFWSA-N 346.408 1.925 0 40 EDAB CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)N(C)C)c1 585121605 TZXIBNDRUQNXDA-GFCCVEGCSA-N 327.450 1.654 0 40 EDAB CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)ccn1 257205696 BAFNXUNBFVRNRM-ZDUSSCGKSA-N 335.433 1.691 0 40 EDAB CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C)C(=O)c1ccnnc1 257221122 DNOWNARORMUHAV-RWQQGDIJSA-N 346.475 1.953 0 40 EDAB CC1(C)Cc2cccc(OCC(=O)N[C@@H]3CCC[C@@H](O)[C@@H]3O)c2O1 257236171 HBBJVEUFUYQXRO-XJKCOSOUSA-N 335.400 1.169 0 40 EDAB CO[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2)[C@H]1O 257336229 YNPHWGHARZODJW-MGPQQGTHSA-N 333.837 1.889 0 40 EDAB O=C1CO[C@@H]2CCN(Cc3ccccc3Br)C[C@@H]2N1 257267797 MITSBVRCLGMJBA-QWHCGFSZSA-N 325.206 1.538 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)COc2ccccc2)C1 257275351 NOZBPYZVGLMTFI-LBPRGKRZSA-N 349.412 1.208 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(CC(=O)N3CCCC3)CCO2)ccn1 257321515 WBZNSXXUZUHUHI-QGZVFWFLSA-N 346.475 1.403 0 40 EDAB O=C(c1cc(-c2ccccc2)on1)N1CC(N2C(=O)COC2=O)C1 253407485 WMTFYFWQGLVKDE-UHFFFAOYSA-N 327.296 1.145 0 40 EDAB CCn1cc(CN2CCNC[C@H]2c2cccc(C(=O)NC)c2)cn1 257248998 JGFZDCWXLAWVIA-KRWDZBQOSA-N 327.432 1.409 0 40 EDAB CC(=O)N1CC2(CCN(Cc3cncn3C)CC2)C[C@@H](O)C1(C)C 257259466 KYNHLDFDPYYBKO-MRXNPFEDSA-N 334.464 1.394 0 40 EDAB O=C(COc1ccc(-n2cccn2)nn1)Nc1cc(F)ccc1F 90607736 AMTVGLWRASRQLM-UHFFFAOYSA-N 331.282 1.958 0 40 EDAB C[C@H](NC[C@@](C)(O)C1CC1)[C@H]1COCCN1C(=O)OC(C)(C)C 1615614450 GVDAXLISTDDMKZ-DXCKQFNASA-N 328.453 1.761 0 40 EDAB CC(C)NC(=O)CN[C@H]1CCO[C@]12CCN(C(=O)OC(C)(C)C)C2 1616036070 MBXCGHACBSARRS-GUYCJALGSA-N 341.452 1.269 0 40 EDAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(C(=O)c2cc[nH]n2)C3)c1 575403815 KQKMAPWHYJHKRC-HNNXBMFYSA-N 342.399 1.704 0 40 EDAB Cn1ccc2ccn(CCNC(=O)c3cnc4ccccc4n3)c(=O)c21 575415093 ZZZUOLMMTJKOGE-UHFFFAOYSA-N 347.378 1.713 0 40 EDAB C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1C1CCOCC1 585098022 QMLHPRWOAYJMRO-AWEZNQCLSA-N 343.431 1.678 0 40 EDAB CNC(=O)CC[C@]1(O)CCCN(S(=O)(=O)c2ccccc2C)C1 585276703 CSQFGYVGQIBAAI-MRXNPFEDSA-N 340.445 1.037 0 40 EDAB Cc1c(CN2CCn3c(COCC4CC4)nnc3C[C@H]2C)cnn1C 585096776 ADDUEOYJDLWZIT-CYBMUJFWSA-N 344.463 1.693 0 40 EDAB Cc1cccc(OCCNC(=O)CN2CCC[C@@H]2Cn2cncn2)c1 69453355 PFNMJTOWUQMALB-MRXNPFEDSA-N 343.431 1.246 0 40 EDAB c1cc(-c2ccc(N3CCN(c4nncs4)CC3)nn2)ccn1 1776008393 CMOZVESGKKAODD-UHFFFAOYSA-N 325.401 1.717 0 40 EDAB C[S@@](=O)C[C@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1ccccc1 76093815 ARIVCXOOQNZLIV-FYSMJZIKSA-N 344.436 1.713 0 40 EDAB O=C(CN1CCOC[C@@H]1CC(=O)c1ccco1)NCc1ccccn1 84610062 QYCLMAWSUNEABX-HNNXBMFYSA-N 343.383 1.265 0 40 EDAB CCN(C(=O)Cn1cncn1)[C@H]1CCN([C@H](C)c2ccccc2)C1 106630835 NTRXGDFPPFEKKK-WBVHZDCISA-N 327.432 1.962 0 40 EDAB C[C@@]1(c2ccsc2)CC(=O)N(Cc2nnc3n2CCCC3)C1=O 575603119 BORDFDQVQJOSMO-INIZCTEOSA-N 330.413 1.893 0 40 EDAB C[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccc(CN(C)C)cc2)CC1 1535615637 AYWWQUNLPCFQDW-XJKSGUPXSA-N 329.444 1.783 0 40 EDAB CCN1OC2(CCN(C(=O)c3c(F)cccc3OC)CC2)CC1=O 1549162052 MMLWWIKRQPCYRS-UHFFFAOYSA-N 336.363 1.993 0 40 EDAB CC(C)(COCc1ccccc1)C(=O)N1C[C@@H](CO)[C@@H](CCO)C1 1615585620 FJYLSGJFHBGEQX-IRXDYDNUSA-N 335.444 1.679 0 40 EDAB CC(=O)N1CCC(N[C@H]2C[C@@H](Cc3cc(CO)on3)C2(C)C)CC1 1772594427 DABYNGCRGGDJKV-DYVFJYSZSA-N 335.448 1.725 0 40 EDAB CCc1nn(CC(=O)Nc2ccncc2)c(=O)c2cc3occc3n12 12115479 CQDAJYKIHXDGMD-UHFFFAOYSA-N 337.339 1.838 0 40 EDAB COc1ccc(OC)c(NC(=O)C[C@@H]2CSc3nccc(=O)n32)c1 12236256 BOWTXRWVPPOBCA-SNVBAGLBSA-N 347.396 1.936 0 40 EDAB CCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21 13532215 ZYZQBALKCFJABM-UHFFFAOYSA-N 342.428 1.692 0 40 EDAB CC[C@H](C(=O)NCCCOC)N(c1ccc(F)cc1)S(C)(=O)=O 13715144 PCJSSQUBJQMZFU-CQSZACIVSA-N 346.424 1.523 0 40 EDAB COc1cccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 18023580 ULROGAHFCYVHMI-UHFFFAOYSA-N 331.372 1.841 0 40 EDAB O=C(c1ccccc1)N1CCO[C@H](c2nc(-c3ncccn3)no2)C1 19368905 IRQHCUWEZFANTR-ZDUSSCGKSA-N 337.339 1.740 0 40 EDAB O=S(=O)(Cc1ccccc1)C1CCN(S(=O)(=O)C2CC2)CC1 390831703 UGZONNMQIMYRLI-UHFFFAOYSA-N 343.470 1.558 0 40 EDAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)NCCc1cccs1 12332826 KPIWCPOJDUXTMV-UHFFFAOYSA-N 349.500 1.741 0 40 EDAB Cn1cnc(C(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)c1 1888849913 LRMJJVYLSKXROG-LBPRGKRZSA-N 327.388 1.629 0 40 EDAB CCOc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)ncn1 240002196 POPPEZLCXHPRLS-UHFFFAOYSA-N 330.344 1.067 0 40 EDAB CC(C)N1C[C@H]2CN(C(=O)Cc3cccnc3)CC[C@@H]2OCC1=O 2037984841 PMFFWNOPEHALGV-CVEARBPZSA-N 331.416 1.108 0 40 EDAB CC[C@H]1CN(C(=O)CN2C(=O)COc3ccc(C)cc32)CC[C@@]1(C)O 67821258 IJCNDUWFWHDMJR-IFXJQAMLSA-N 346.427 1.730 0 40 EDAB O=C(c1sccc1F)N1CC2(C[C@@H](N3CCOCC3)CS2)C1 2056224106 RMCDQBDFBXVAMF-LLVKDONJSA-N 342.461 1.920 0 40 EDAB Cn1nc(COCC2CC2)c2c1CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1565547251 HFRBWAAYMYCVQB-HALDLXJZSA-N 331.416 1.124 0 40 EDAB CN(C)c1ccnc(N2CCN(c3nc(C4CC4)ns3)CC2)n1 2086875490 LBAQZDSFSRQETQ-UHFFFAOYSA-N 331.449 1.598 0 40 EDAB O=C(Cn1cnnn1)Nc1ccccc1-c1cn2ccsc2n1 206894088 IWFXTIHUJNXMMH-UHFFFAOYSA-N 325.357 1.688 0 40 EDAB COc1ncccc1C(=O)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O 44226040 FHVXWCGGWPAHIT-VXGBXAGGSA-N 349.412 1.827 0 40 EDAB CC(C)N[C@@H]1C[C@H](C(=O)N2CCCC2)[C@@H](O)[C@H]1c1cnc(C2CC2)[nH]1 2332241876 YQCFTWYSFBPHJM-XOSAIJSUSA-N 346.475 1.741 0 40 EDAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1cnccn1 225736836 YLJNIJAUFWIFDL-UHFFFAOYSA-N 338.415 1.544 0 40 EDAB CC(C)CCN1CC(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 230041504 BFETVQZEVLGABO-CVEARBPZSA-N 336.457 1.547 0 40 EDAB COc1cccc([C@@H]2CCCN2C(=O)CN2CCC(C(N)=O)CC2)c1 51185952 WNAPOXRCIIQZMX-KRWDZBQOSA-N 345.443 1.556 0 40 EDAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCSCC1 40542096 NYZRSAPJEJOGKK-UHFFFAOYSA-N 345.424 1.511 0 40 EDAB COc1cccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 40515774 GPIWDBOTXXBKNV-LBPRGKRZSA-N 326.418 1.097 0 40 EDAB COCCN(C(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C1CC1 40542434 UTZGQUKQORAFJZ-UHFFFAOYSA-N 337.420 1.269 0 40 EDAB COc1cccc(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 40549306 JYVVIUSODARULB-OAHLLOKOSA-N 341.415 1.953 0 40 EDAB COc1cccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)n[nH]2)c1 51315775 GJOQRIYFMQNZDW-UHFFFAOYSA-N 328.372 1.423 0 40 EDAB CC(C)COCCC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 101219766 FFUJEEZQSPLZKZ-CQSZACIVSA-N 332.400 1.893 0 40 EDAB Cc1ccc(C)c(OCC(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 101319608 KAVOMKCNAJTGHM-MGBSGCIJSA-N 340.379 1.521 0 40 EDAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1nccs1 20734853 BXZXOMJJLDKSSK-JOYOIKCWSA-N 333.369 1.426 0 40 EDAB Cc1noc(CCNC(=O)N2CCN(C)C[C@H]2c2ccccc2)n1 102035253 CUXKHQSLZPBJRN-HNNXBMFYSA-N 329.404 1.619 0 40 EDAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)N1CCNC1=O 102412776 QLQZECGTFOMKSI-CHISNJGVSA-N 340.807 1.659 0 40 EDAB O=S(=O)(NCCCOC[C@@H]1CCCO1)c1ccc(F)cc1F 21699704 MWJAPCJSPUGWFL-LBPRGKRZSA-N 335.372 1.829 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 479239 HNGABYDAXNZECA-UHFFFAOYSA-N 328.434 1.667 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1 522284 RJMIRBDIWMWLPG-UHFFFAOYSA-N 325.368 1.688 0 40 EDAB Cc1noc(C)c1CN(C)CC(=O)N1CCN(c2ccccn2)CC1 42132964 TYHPGPSWKPVNOT-UHFFFAOYSA-N 343.431 1.467 0 40 EDAB CS(=O)(=O)CCN1CCN(C(=O)CCC2CCCCC2)CC1 54292296 MNUPFQRHGFUGDO-UHFFFAOYSA-N 330.494 1.536 0 40 EDAB O=C(NCc1cc(F)ccc1F)[C@@H]1CC(=O)N(CC(F)(F)F)C1 104560984 GIFZVOFWJRHQKL-SECBINFHSA-N 336.260 1.992 0 40 EDAB COc1cc(C(=O)NC[C@H](C)C(=O)O)cc(OC)c1Br 54310098 GCBYDUWPDZGTMI-ZETCQYMHSA-N 346.177 1.917 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 42512610 OCLHYQYRBKFMAJ-STQMWFEESA-N 330.363 1.580 0 40 EDAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC(C(=O)O)CC1 531392 RDAQBVAZAMAEFV-GFCCVEGCSA-N 326.393 1.709 0 40 EDAB CN1CC(=O)N(CC(=O)N2CCCCC[C@H]2c2ccncc2)C1=O 78932597 SWZHRGJDFTZNPS-AWEZNQCLSA-N 330.388 1.419 0 40 EDAB NC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 1339518 LSVJZEWBVNXZBQ-UHFFFAOYSA-N 340.318 1.217 0 40 EDAB Cn1ncc(CN2CCC(C(=O)NC3CC3)CC2)c1C(F)(F)F 79092948 QDONBWXQQWUJLW-UHFFFAOYSA-N 330.354 1.930 0 40 EDAB O=C(NCc1ccc2c(c1)OCCO2)N[C@@H]1CCN2CCCC[C@H]12 43163221 QGSJVWYAMHNQHV-HUUCEWRRSA-N 331.416 1.884 0 40 EDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1NS(C)(=O)=O 24894952 ZWWNHNLTUJVDAW-SNVBAGLBSA-N 341.433 1.547 0 40 EDAB CC(C)n1nc(O)c2c1NC(=O)C[C@]21C(=O)Nc2ccc(F)cc21 71279642 TVUCEBHBBJQESH-MRXNPFEDSA-N 330.319 1.889 0 40 EDAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC(C)C)cc1 7070686 JJRMOJBSDQSSQF-GFCCVEGCSA-N 328.434 1.667 0 40 EDAB CCc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3cn[nH]c3)c2)n1 57118629 LYQCIWFADCFCNE-UHFFFAOYSA-N 345.384 1.523 0 40 EDAB CCN(C(=O)CN1C(=O)NC2(CCOCC2)C1=O)c1ccccc1 57947551 HYPVCJOIBQKDBJ-UHFFFAOYSA-N 331.372 1.141 0 40 EDAB COc1c(Cl)cccc1NCC(=O)NCC(=O)N1CCCC1 58175513 TXQMQGNWAFZRCU-UHFFFAOYSA-N 325.796 1.499 0 40 EDAB COc1ccc(Br)c(NCC(=O)N2CCOCC2)c1 58182800 RESZQPREBPHFQM-UHFFFAOYSA-N 329.194 1.728 0 40 EDAB Cc1csc([C@@](O)(CC(=O)Nc2ccn(C)n2)C(F)(F)F)n1 58197142 JBTLAJQYBHFENT-NSHDSACASA-N 334.323 1.964 0 40 EDAB C[C@H]1CN(C2CCN(c3ncnc4c3cnn4C)CC2)C[C@H](C)O1 97159024 IPKWBFMMJHGVKF-STQMWFEESA-N 330.436 1.441 0 40 EDAB O=C(NCCNC(=O)c1n[nH]c2ccccc12)c1ccccc1F 58193754 RYEKFBQXZUJIDX-UHFFFAOYSA-N 326.331 1.862 0 40 EDAB O=C(NCCCc1n[nH]c(=O)[nH]1)[C@H]1CCOc2ccc(Cl)cc21 97137107 YXGFSPTZBKGCGY-JTQLQIEISA-N 336.779 1.367 0 40 EDAB CC1CCN(C[C@@H](O)Cn2cc(I)cn2)CC1 95438743 XTPSKTRWRPHSEE-GFCCVEGCSA-N 349.216 1.581 0 40 EDAB Cc1cccc(C)c1OC[C@H](O)Cn1nnc(-c2cccnc2)n1 58214812 FUUFRMSSEAEYKM-OAHLLOKOSA-N 325.372 1.792 0 40 EDAB COC(=O)[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)C(C)C 58266020 TYNIQMPXIGKTDP-AWEZNQCLSA-N 337.401 1.348 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ncc(-c2ccccc2)o1 44942867 ZYTVZWLFPDXIQZ-ZDUSSCGKSA-N 349.412 1.382 0 40 EDAB C[C@@H](C(=O)NCc1ccnc(OC2CCCC2)c1)S(C)(=O)=O 44952426 CDWQRFQDVRDHCR-NSHDSACASA-N 326.418 1.452 0 40 EDAB Cc1csc(CNC(=O)NCc2ccnc(N3CCOCC3)c2)n1 44952882 PXTKKLHCXQIBSR-UHFFFAOYSA-N 347.444 1.683 0 40 EDAB CCN(CC)c1ccc(CNC(=O)NC[C@H](C)N2CCOCC2)cn1 44968588 GOGZHQMSGZGTFY-HNNXBMFYSA-N 349.479 1.448 0 40 EDAB Cc1cccc(NC(=O)[C@@H]2CCCN(CC(=O)N[C@@H](C)C3CC3)C2)n1 58406941 DFYOCYQCRNLUNT-GOEBONIOSA-N 344.459 1.955 0 40 EDAB O=C(Cc1ccc(Br)cc1)OCC(=O)N1CCOCC1 3294832 OAJDQXSOZZWERJ-UHFFFAOYSA-N 342.189 1.394 0 40 EDAB COC[C@H](C)NC(=O)CSc1nc(C)c(C)n1C[C@@H]1CCCO1 36633660 MCHDLEZVBGZFTI-FZMZJTMJSA-N 341.477 1.922 0 40 EDAB CCc1ccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1 11426651 JYYCSPULKMHLOZ-UHFFFAOYSA-N 325.372 1.721 0 40 EDAB Cc1cc(N2CCN3CCC[C@@H]3C2)n2nc(C(F)(F)F)nc2n1 29587309 UQHQYZFXWSPYOE-SNVBAGLBSA-N 326.326 1.736 0 40 EDAB O=C(CCc1nc2ccccc2s1)OCC(=O)N1CCCC1=O 2623756 RPGZJNPZHBPBLN-UHFFFAOYSA-N 332.381 1.921 0 40 EDAB CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)O)[C@H]2C1 12324170 SGABTFCGSMKTJY-GXTWGEPZSA-N 349.343 1.499 0 40 EDAB C[C@@H](C(=O)NCC(F)(F)F)N1CCN(Cc2cccc(O)c2)CC1 95432172 LUHQJQBUFXUACJ-LBPRGKRZSA-N 345.365 1.577 0 40 EDAB O=C(NCCc1ccc(-n2cccn2)cc1)NCCN1CCOCC1 48261428 MUDDRQYKHQNVCU-UHFFFAOYSA-N 343.431 1.046 0 40 EDAB CN1CCN(c2ccc(NC(=O)COc3ccc(F)cc3)cn2)CC1 12747048 GJSZWTHBQYVUGS-UHFFFAOYSA-N 344.390 1.990 0 40 EDAB CO[C@@H]1CCC[C@@H](OC(=O)[C@H](C)Sc2nnnn2C2CC2)C1 110577160 VWUROHWWXXDBFF-MVWJERBFSA-N 326.422 1.989 0 40 EDAB Cc1ccc([C@@H](CN2CCOCC2)Nc2ccc3nnnn3n2)cc1 22357672 ZQYOGAZPBPPVFF-OAHLLOKOSA-N 339.403 1.313 0 40 EDAB COC[C@H](C)NC(=O)COC(=O)CCc1nc2ccccc2s1 3334752 RLJCYUQWNXPKPA-NSHDSACASA-N 336.413 1.923 0 40 EDAB CCCNC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 3352913 MCHZNHHIIVRMTF-AWEZNQCLSA-N 328.372 1.157 0 40 EDAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC1CC1 3572845 DIODOHRJUDGFAD-UHFFFAOYSA-N 349.390 1.761 0 40 EDAB O=C(c1ccncc1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005213 AOBAUWISZLLNJS-HNNXBMFYSA-N 337.445 1.548 0 40 EDAB CCCOC[C@@H]1C[C@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 3999407 UVBVHSSYOFXGJL-LNHVQRHZSA-N 340.401 1.616 0 40 EDAB biogenic C[C@H](OC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(N)=O 64176641 IZYWIKSTJWPSQW-QMMMGPOBSA-N 327.262 1.922 0 40 EDAB O=C(COC(=O)c1ccccc1NCCO)NCC1CCCCC1 5279222 FUTMEZLSDANNGD-UHFFFAOYSA-N 334.416 1.944 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2ccccc2C(F)(F)F)n(C)c1=O 5263232 LKZCQZBHVYPJOO-UHFFFAOYSA-N 338.289 1.501 0 40 EDAB CC(C)N1CCC2(CC1)CN(C)S(=O)(=O)c1cccnc1O2 306134055 NCRWTDPMBWWDNG-UHFFFAOYSA-N 325.434 1.338 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)CN1C(=O)CCOc2ccccc21 65454116 LMRGGCFOQMGHPG-CYBMUJFWSA-N 328.372 1.204 0 40 EDAB CC1CCN(C(=O)C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1 14025843 NBQIQGLNDSTEFK-UHFFFAOYSA-N 331.416 1.486 0 40 EDAB O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 14093877 MFIFXSKOBMGFLQ-UHFFFAOYSA-N 346.811 1.722 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H]1CN1CCCCC1 65595861 SPIZZUAUMRXKBP-OAHLLOKOSA-N 340.493 1.676 0 40 EDAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2nnnn2C2CC2)C1 65515889 OLUURBXOFIDXHK-CYBMUJFWSA-N 345.382 1.543 0 40 EDAB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 4505275 ABALOCDVLSMCAH-CQSZACIVSA-N 339.438 1.647 0 40 EDAB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 4570183 IGJKNHSUVFNCAF-UHFFFAOYSA-N 326.418 1.376 0 40 EDAB CC(C)(CNC(=O)c1cnn(Cc2ccccc2)c1)N1CCOCC1 14228188 VEZHICZDASPJJA-UHFFFAOYSA-N 342.443 1.772 0 40 EDAB CCCc1ccc(S(=O)(=O)N2C[C@]3(F)CNC(=O)[C@]3(F)C2)cc1 306144142 YXIHQJGUMZCOMP-HUUCEWRRSA-N 344.383 1.190 0 40 EDAB CCc1c(O)nc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)nc1O 96304935 XJBIDGQHNLEUKX-LLVKDONJSA-N 345.380 1.874 0 40 EDAB Cc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3CCCO3)n2)cc1C 5401790 URTADUOPYJEZTP-INIZCTEOSA-N 341.411 1.822 0 40 EDAB O=C(NCC(=O)N1CCC(NC(=O)C2CCC2)CC1)c1ccccc1 66121075 PJYPHVYTIQBIBA-UHFFFAOYSA-N 343.427 1.324 0 40 EDAB Cc1ccccc1-c1nc(C(=O)NCCNS(C)(=O)=O)cs1 66606762 DJSQIMIFJODNSR-UHFFFAOYSA-N 339.442 1.398 0 40 EDAB CC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 6850187 LLVFNMOBLUMVLI-UHFFFAOYSA-N 347.234 1.302 0 40 EDAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 9503932 JYEORNYHGASLAO-NSHDSACASA-N 341.314 1.947 0 40 EDAB O=C(NCc1ccnc(OCC2CC2)c1)c1ccc2[nH]c(=O)[nH]c2c1 67337499 CIDXGZZKOWCHSB-UHFFFAOYSA-N 338.367 1.970 0 40 EDAB O=C(N[C@H]1CCc2c(O)cccc21)[C@@H]1CC(=O)N(CC(F)(F)F)C1 71898043 OQYPCCLGIMEXKS-SKDRFNHKSA-N 342.317 1.907 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@H]1CCCN1c1nccs1 71895995 HDUHISWPOUCTAQ-CYBMUJFWSA-N 331.445 1.889 0 40 EDAB CC[C@H](C)[C@@H](NS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)OC 7246956 PRTKVBPDLNUVHN-IINYFYTJSA-N 327.402 1.755 0 40 EDAB O=C(/C=C/c1ccccc1)NCC(=O)N[C@@H]1CCN(CC2CC2)C1 71888525 RYGOCQYVQUXUPG-KBOKABMXSA-N 327.428 1.417 0 40 EDAB CN(CC(=O)NCC1CC1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 71870811 LWFCVPRXIUJFLE-OAHLLOKOSA-N 347.463 1.369 0 40 EDAB CCOC(=O)CCCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 71826986 ZKUXMDSWKNAGLF-MRXNPFEDSA-N 346.427 1.680 0 40 EDAB Cc1ccccc1-c1nnn(CC(=O)Nc2sccc2C(N)=O)n1 7455104 SNCZZZYCOFUTLU-UHFFFAOYSA-N 342.384 1.448 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCc1cccs1 71921858 CDDAWZAUPFHKQI-HNNXBMFYSA-N 329.425 1.277 0 40 EDAB COc1ccc(CNC(=O)Cn2cnc3sccc3c2=O)cc1 7783139 VNVNONOVYBAHCY-UHFFFAOYSA-N 329.381 1.783 0 40 EDAB CCOC(=O)c1cnn(-c2cc(CC)nc3ncnn23)c1C(F)F 71907726 NGODYNXFKNRRKK-UHFFFAOYSA-N 336.302 1.987 0 40 EDAB CN(CCCNS(C)(=O)=O)[C@H]1CCCN(c2ccccc2)C1 81014231 FBPNGNWESGIDQO-INIZCTEOSA-N 325.478 1.527 0 40 EDAB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1cc[nH]n1 71911639 KGSBFEOZKNUWFQ-JQWIXIFHSA-N 338.408 1.786 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccc(F)cc1 7946255 FVMVHDIVQDLVML-UHFFFAOYSA-N 327.315 1.145 0 40 EDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NC1CCCCCC1 8085197 RKQDSVAGNMGTTK-UHFFFAOYSA-N 349.456 1.954 0 40 EDAB COCCOc1ccccc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 83911891 WJDHKXWYAATGHV-DLBZAZTESA-N 348.443 1.383 0 40 EDAB COC(=O)c1cc(OCc2ccc(C(N)=O)cc2)cc(C(=O)OC)c1 16813050 CELFKPHNAAAXLS-UHFFFAOYSA-N 343.335 1.938 0 40 EDAB O=C(NCc1cccc2c1OCO2)[C@@H]1CC(=O)N(C2CCCC2)C1 70037919 MSQRQWHSEAPACJ-CYBMUJFWSA-N 330.384 1.823 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(Cc3ccc(C(N)=O)cc3)CCO2)n1 69349990 NRIHDANNXYHVRE-KRWDZBQOSA-N 328.416 1.500 0 40 EDAB C[C@H]1CCCCN1CCNC(=O)c1ccc(-n2cnnn2)cc1Cl 69438473 JQYJKCPWDPFYRA-LBPRGKRZSA-N 348.838 1.920 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(F)cc2F)CC1 69584480 ZFUZICMLBJWTCF-OAHLLOKOSA-N 337.370 1.519 0 40 EDAB CC(C)(C)c1csc(CCNC(=O)NCCN2CCOCC2)n1 69698759 POCQOKWXVSZHHS-UHFFFAOYSA-N 340.493 1.615 0 40 EDAB C[C@H](N[C@H]1CCCN(Cc2noc(C3CC3)n2)C1)C(=O)N1CCCC1 69739700 ARAZTKPLZSFXEK-ZFWWWQNUSA-N 347.463 1.512 0 40 EDAB NC(=O)[C@@H]1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)C1 69776444 DTNSJOTXJSCMMT-SECBINFHSA-N 337.305 1.869 0 40 EDAB C[C@H](c1nc2ccccc2o1)N1CCN(C(=O)N2CCOCC2)CC1 97047124 GVWVDPFICNZUMJ-CQSZACIVSA-N 344.415 1.959 0 40 EDAB CC(C)[C@H](C(=O)N1CCC(Nc2cccnn2)CC1)N1CCCC1 69873386 LZCSZMSEIMFCIW-QGZVFWFLSA-N 331.464 2.000 0 40 EDAB O=C(NCC[S@@](=O)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 69893701 GIJZPPQEBMNYKM-DEOSSOPVSA-N 341.392 1.461 0 40 EDAB CNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 69843775 ULLDPMILCVTRIU-DLBZAZTESA-N 329.444 1.425 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(-n2ccnc2)c1 72287265 KMBCUTHKCAVAOC-QGZVFWFLSA-N 334.379 1.699 0 40 EDAB O=C(CCn1cc(Br)ccc1=O)Nc1ncccc1O 69972097 MPEFDCYFBOGXNR-UHFFFAOYSA-N 338.161 1.740 0 40 EDAB COc1cccc(CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)c1 70689794 WZZRBHUJMFIZKE-UHFFFAOYSA-N 328.372 1.411 0 40 EDAB CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 8777077 GJSNCAJDMZOUCA-UHFFFAOYSA-N 339.461 1.729 0 40 EDAB CCCCNC(=O)c1ccc(OCC)c(S(=O)(=O)NCC)c1 408699498 XFZMEHAQYCTNAY-UHFFFAOYSA-N 328.434 1.913 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 72235314 KYHNUPKNXIFTRF-CYBMUJFWSA-N 325.376 1.644 0 40 EDAB Cc1noc(C)c1CNC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 95955273 VWAVHJTUUDOYFM-LLVKDONJSA-N 340.376 1.909 0 40 EDAB CC(=O)N1CCC(NC(=O)N2CCCN(c3ccccc3)CC2)CC1 95953870 XDULCWXRHPRZGP-UHFFFAOYSA-N 344.459 1.919 0 40 EDAB CNC(=O)CC1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 74851232 UFFDNGOYWSKQDS-GJZGRUSLSA-N 338.496 1.665 0 40 EDAB COCC(=O)Nc1cccc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1 89409670 AGKZDOBGAGDXDS-MRXNPFEDSA-N 346.431 1.974 0 40 EDAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCC1CC1 25574608 MWTOFESOARNDBJ-UHFFFAOYSA-N 336.457 1.760 0 40 EDAB Cc1cc(C)n(CCN2CCO[C@@H](CN(C)c3cccnn3)C2)n1 89594203 DCZYHZCMLGRGIX-INIZCTEOSA-N 330.436 1.127 0 40 EDAB CCc1nc(CN2CCC[C@@H](NCC(=O)Nc3cc(C)on3)C2)no1 75133998 DKDGLMRRWFMMPJ-GFCCVEGCSA-N 348.407 1.121 0 40 EDAB COc1ccc(CCNC(=O)N2CCC[C@@H](c3nncn3C)C2)cc1 89761892 XHLZZGLAZCETBH-OAHLLOKOSA-N 343.431 1.955 0 40 EDAB NC(=O)N1CCC[C@H]1COC(=O)c1csc(Nc2ccccn2)n1 89883918 HITFSDAGTRNVBU-JTQLQIEISA-N 347.400 1.982 0 40 EDAB Cn1cc([C@](C)(O)CNS(=O)(=O)C2=Cc3ccccc3CC2)cn1 89901298 QKNORBWLROISHN-QGZVFWFLSA-N 347.440 1.534 0 40 EDAB O=C(CCS(=O)(=O)c1ccccc1)N1CCC[C@@H]1Cn1cccn1 75602040 LYLRHASPPZUXCA-OAHLLOKOSA-N 347.440 1.738 0 40 EDAB COC(=O)C(C)(C)NC(=O)CCCN1C(=O)c2ccc(C)cc2C1=O 23176587 LLGQQNYDVTUMTP-UHFFFAOYSA-N 346.383 1.439 0 40 EDAB CN([C@@H](C(=O)O)c1ccc(F)cc1)S(=O)(=O)c1cnn(C)c1 548247577 QYUNAUXYJJYHNF-GFCCVEGCSA-N 327.337 1.006 0 40 EDAB O=C(CNCCN1CCOCC1)Nc1ccccc1N1CCCCC1 35311434 QSKSUWDDNGLYEW-UHFFFAOYSA-N 346.475 1.537 0 40 EDAB CC(=O)N1C[C@H](NC(=O)c2coc(=O)c3ccccc23)CC[C@H]1C 1018309672 ZZKBVAFSIHYABM-DGCLKSJQSA-N 328.368 1.922 0 40 EDAB O=C(Nc1ccccc1C(=O)NCc1ccco1)C(=O)NC1CC1 408707475 BUCGNPLTEGQDNH-UHFFFAOYSA-N 327.340 1.427 0 40 EDAB Cc1cccc(C(=O)N[C@@H]2CCCCN(Cc3nnn(C)n3)C2)c1 1034090512 KFAHYPKBQIMOQI-OAHLLOKOSA-N 328.420 1.303 0 40 EDAB O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1nc(C(F)(F)F)n[nH]1 79487291 OXQTWJSAUSXRDB-UHFFFAOYSA-N 345.281 1.081 0 40 EDAB O=C(Cn1cnnn1)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 71195739 VHQANIORPQHJIL-AWEZNQCLSA-N 335.371 1.324 0 40 EDAB Cc1cccc(C[S@@](=O)CC(=O)N2CCN(C(=O)C3CC3)CC2)c1 78553988 LVXHNDMHIXHPBH-DEOSSOPVSA-N 348.468 1.325 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCCc2ccccc2)[C@H]1c1ccccc1 72238079 ZVIUOHLOJMQWFZ-MOPGFXCFSA-N 338.407 1.944 0 40 EDAB Cc1noc(CNC(=O)CN(C)c2nc3c(F)cccc3s2)n1 70973734 DXZITQYMHRXLDS-UHFFFAOYSA-N 335.364 1.879 0 40 EDAB COCC(=O)Nc1cccc(NS(=O)(=O)[C@H]2CCCC[C@H]2O)c1 78551973 SXZANGXWVGBXJC-KGLIPLIRSA-N 342.417 1.317 0 40 EDAB Cc1ccccc1[C@H](O)CNC(=O)NCCc1cccc(C(N)=O)c1 79028316 YGZYAQWOAVUQPE-QGZVFWFLSA-N 341.411 1.669 0 40 EDAB Cc1nc(NCC[S@](C)=O)cc([C@@H]2CN(C(C)C)CCO2)n1 72387925 PRAFRQOIYXTXTC-RCDICMHDSA-N 326.466 1.357 0 40 EDAB CCOc1cccc(CC(=O)N2CC(=O)Nc3c(C)ccnc32)n1 225791445 FIPRQFMJNBSUJM-UHFFFAOYSA-N 326.356 1.712 0 40 EDAB O=C(c1cc(C2CC2)on1)N1CCc2nc3ccccn3c(=O)c2C1 225777362 BJSGKELZVNUBLY-UHFFFAOYSA-N 336.351 1.758 0 40 EDAB NS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccsc1 529461157 WUKOEYQQRMEJBR-FRRDWIJNSA-N 343.474 1.026 0 40 EDAB O=S(=O)(NCc1nnnn1C1CC1)c1cccc2ccccc12 83996768 CHRJADNUTFAEHS-UHFFFAOYSA-N 329.385 1.640 0 40 EDAB COC(=O)C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(OC)c(OC)c1 44889120 GCWDTXJKXUOYOC-TZMCWYRMSA-N 337.372 1.603 0 40 EDAB CCOCCCNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C 225930775 CDWPNLSFLHRDOK-UHFFFAOYSA-N 342.461 1.467 0 40 EDAB O=S(=O)(NCc1cnn2c1CCCC2)c1cccc2nsnc12 225613741 HPJATGPLEBJRRZ-UHFFFAOYSA-N 349.441 1.703 0 40 EDAB C[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 96432077 QMMWTHMYECFJEH-KGLIPLIRSA-N 347.440 1.874 0 40 EDAB COCCn1cc(CN2CCC[C@](O)(c3cn(C(C)C)nn3)C2)cn1 583617458 SUMSTHGXSBRSQS-QGZVFWFLSA-N 348.451 1.186 0 40 EDAB CC(C)Cc1noc(CN2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)n1 583617866 BIZFFEAHQSWTQB-KRWDZBQOSA-N 348.451 1.924 0 40 EDAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Cc2ccnn2C)cc1 583623770 ISGSUSZKDNHJOM-HKUYNNGSSA-N 343.427 1.870 0 40 EDAB O=C(NCc1nc2ccccc2[nH]1)c1cc(F)ccc1-n1cnnn1 96116880 RTRHPWFCMIHLQK-UHFFFAOYSA-N 337.318 1.608 0 40 EDAB CN1C(=O)C2(CCOCC2)c2cc(NC(=O)c3ccnnc3)ccc21 96244763 FUKOUMURRVITJJ-UHFFFAOYSA-N 338.367 1.754 0 40 EDAB CNC(=O)CN(C(=O)c1cccc(-n2cccn2)n1)c1ccccc1C 95399021 KVDYHGNEWUVFQZ-UHFFFAOYSA-N 349.394 1.969 0 40 EDAB COCCN1[C@@H](C)CN(Cc2ccc(-n3cncn3)cc2)C[C@@H]1C 93479216 VTQNRRFXTMKLPM-HOTGVXAUSA-N 329.448 1.808 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)N1C[C@@H]2CC=CC[C@H]2C1 96439860 SJVOPUFUNQRCIY-GJZGRUSLSA-N 341.415 1.494 0 40 EDAB O=C(CCN1CCC(Oc2ccc(F)cc2)CC1)N1CCOCC1 96406614 RPFKSULLPGIIPJ-UHFFFAOYSA-N 336.407 1.918 0 40 EDAB O=C1C[C@H](c2ccncc2)C2(CCN(C(=O)c3ccco3)CC2)N1 96199924 UJOFHRBYAWHCFH-CQSZACIVSA-N 325.368 1.953 0 40 EDAB CCC(=O)N1CCc2ncc(CN(C)Cc3cccnc3)n2CC1 96197099 XKTWAYUHXMYTIH-UHFFFAOYSA-N 327.432 1.705 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCc2cc(C)n(C)n2)cc1F 239611758 FDKSJWSOVNCLHR-UHFFFAOYSA-N 341.408 1.787 0 40 EDAB Cc1cc(C(=O)N2CC[C@@]3(C[C@H](Nc4ncccn4)CCO3)C2)on1 96209233 IBNWPYNEECCNHA-CXAGYDPISA-N 343.387 1.649 0 40 EDAB CN(C)CC(=O)N1C[C@H]2CCC[C@H](N(C)Cc3cccnc3)[C@H]2C1 96182937 OLFVTUQRFDMCJT-SQNIBIBYSA-N 330.476 1.702 0 40 EDAB O=C(O)c1c(N2CCOCC2)ncc2c1CCN(Cc1ccco1)C2 96189219 KUXYGNICPGAQQA-UHFFFAOYSA-N 343.383 1.768 0 40 EDAB Cc1cc(CN2CC3(CC[C@@H](CNC(=O)c4ccno4)CO3)C2)no1 247924733 OYSKTDCGAAGSOJ-ZDUSSCGKSA-N 346.387 1.382 0 40 EDAB CCN(CC)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3cccn3C)C2)O1 248123970 LBXHERFXUOYOOQ-QFBILLFUSA-N 349.475 1.757 0 40 EDAB C[C@]1(O)CN(C(=O)C2CCNCC2)CC[C@@H]1Oc1cccc(F)c1 257225025 FEMYGCQATRHLQX-WMZOPIPTSA-N 336.407 1.556 0 40 EDAB CO[C@](C)(C(=O)N[C@@H](CO)Cc1cnn(C)c1)c1ccccc1F 585088167 NOFCJJFSEDBHRT-DYVFJYSZSA-N 335.379 1.141 0 40 EDAB CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)c2cccnn2)C1 257216521 CUWLRSOQPCYCGU-ZDUSSCGKSA-N 326.404 1.428 0 40 EDAB O=S(=O)(CCN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)NCC1CCC1 253369300 ASZCMDJTCYVPGU-BZUAXINKSA-N 342.505 1.643 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N[C@@]1(CO)COc2ccccc2C1 529823230 RAQARCOBQZWPAH-SFHVURJKSA-N 329.400 1.062 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@H]3C[C@H](O)C3)C2)c1 585113915 XAZXEDHFOZXEPR-XIRDDKMYSA-N 330.428 1.795 0 40 EDAB CC(C)(C)OC(=O)c1ccc(NC(=O)CCS(C)(=O)=O)nc1 585125606 YKBTXFPOOVGMEJ-UHFFFAOYSA-N 328.390 1.410 0 40 EDAB COCCOc1cccc(C(=O)NCc2cc(O)nc(SC)n2)c1 585130671 YKBFGZFCIJFADM-UHFFFAOYSA-N 349.412 1.859 0 40 EDAB C[C@@H]1CN(C)C[C@@H](C(=O)NCc2nccn2CCc2ccccc2)O1 585122324 XAGOGIBZCITKKE-WBVHZDCISA-N 342.443 1.461 0 40 EDAB Cc1cc([C@H]2CN(C(=O)Cn3nnc4ccccc43)CCO2)ccn1 257309912 UCXBKMPESKSRMR-QGZVFWFLSA-N 337.383 1.735 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cc(C)ncn3)C2)cc1 257291176 QFZBVUDLNYVJPM-LJQANCHMSA-N 340.427 1.807 0 40 EDAB CN1CCN(CC2=Cc3ccccc3OC2)C[C@H](C(=O)N(C)C)C1 257270770 MVPACKHUWOIGBO-QGZVFWFLSA-N 329.444 1.414 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(Cc3ccccc3C(=O)O)CCO2)n1 257200121 ACCFADHEAYMVHW-HNNXBMFYSA-N 329.356 1.762 0 40 EDAB C[C@@H](NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1)C(=O)O 262831600 BIHGFLQMGZNMGD-ICGCDAGXSA-N 332.356 1.396 0 40 EDAB O=C(Cc1noc([C@]23CCC[C@H]2NCC3)n1)NCc1ccccc1 1614994689 DPFQIWSPTCLDHK-KDOFPFPSSA-N 326.400 1.712 0 40 EDAB CC(C)C[C@H]1CN(C)CCN1C(=O)Nc1ccn(CCN(C)C)n1 1615002474 GBQSSTZQJUKDST-HNNXBMFYSA-N 336.484 1.639 0 40 EDAB O=C(NCc1cccs1)[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575403600 HOVIIPALCQTLJS-HNNXBMFYSA-N 344.440 1.944 0 40 EDAB O=C(CC1CCOCC1)N1CCO[C@](CO)(Cc2ccccc2)C1 585268978 GGONMMRKQKJDRT-LJQANCHMSA-N 333.428 1.636 0 40 EDAB COCCN1CC[C@@]2(CN(C(=O)C3CC=CC3)CC(F)(F)C2)C1=O 585093094 BRVPLFHZTYPNKB-MRXNPFEDSA-N 342.386 1.685 0 40 EDAB C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)[C@@H]1C[C@H]1C 585096622 WHITWNSUANDNHK-TYNCELHUSA-N 330.432 1.511 0 40 EDAB COCc1cn([C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)nn1 585149795 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CC(C)(CNC(=O)c1ccc(-n2cccn2)nc1)N1CCOCC1 42684679 MLDVZPSQBCSPGM-UHFFFAOYSA-N 329.404 1.108 0 40 EDAB N#Cc1c(NCC2(O)CCS(=O)(=O)CC2)cccc1-n1cccn1 519425598 XZKDDHXKKPMTEO-UHFFFAOYSA-N 346.412 1.096 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2CCCC2)c1C 5326383 ALBBIZLPOZJVIG-GFCCVEGCSA-N 336.388 1.976 0 40 EDAB Cn1c(=O)c2c(ncn2CCOc2ccccc2Cl)n(C)c1=O 5263214 NXQSXLNYQPIJDV-UHFFFAOYSA-N 334.763 1.166 0 40 EDAB COC(=O)[C@H]1[C@H](O)C(=O)N(Cc2ccc(C)cc2)[C@H]1c1ccco1 5928764 MMAUNMMEUYYORX-PMPSAXMXSA-N 329.352 1.822 0 40 EDAB CS(=O)(=O)c1cccnc1[C@@H]1CCCN(C(=O)c2ccncc2)C1 12132579 PSCSKDPXKCCFEJ-CQSZACIVSA-N 345.424 1.900 0 40 EDAB CCOC(=O)c1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 14215675 IWRTVRWVOGSJAF-UHFFFAOYSA-N 345.355 1.120 0 40 EDAB O=C(NC1CC1)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 208190238 FLCFGVFZLXTFLR-MIALQEHNSA-N 338.407 1.290 0 40 EDAB CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CO 108371426 AFELIJHEIBSGAH-BXUZGUMPSA-N 329.466 1.326 0 40 EDAB COc1cc(CCC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)on1 585101496 ZSTBWYPIIJEMAS-CYBMUJFWSA-N 335.404 1.381 0 40 EDAB NC(=O)NC(=O)CSc1nnc(NCCc2ccccc2)s1 9514211 YZPHFGQCPGGBKS-UHFFFAOYSA-N 337.430 1.480 0 40 EDAB Cc1cccn2c(=O)cc(CN3CCN(c4nccs4)CC3)nc12 21335255 LSRBAYVAWNBFQC-UHFFFAOYSA-N 341.440 1.782 0 40 EDAB NC(=O)[C@]1(F)CCN(c2cc(C3CCOCC3)nc(C3CC3)n2)C1 1888844355 WLDJDQCPKAVADG-KRWDZBQOSA-N 334.395 1.652 0 40 EDAB CN(C)c1ccnc(N2CCN(c3ncnc4cnccc34)CC2)n1 1889149188 ZKSOYWVSTVGZOP-UHFFFAOYSA-N 336.403 1.207 0 40 EDAB O=S(=O)(NCc1nnc2c(O)nccn12)c1ccc(Cl)s1 240122422 VZEPZXDFTJHGJB-UHFFFAOYSA-N 345.793 1.023 0 40 EDAB O=C(N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1)C1(F)CCC1 1565544749 PTJOJSIIYYFYHG-UHFFFAOYSA-N 330.425 1.342 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC[C@@]2(C[C@@H](Nc3cnccn3)CO2)C1 1565552159 PRHSHJKFSNJFPD-CKEIUWERSA-N 332.404 1.075 0 40 EDAB CN(C)CCOC[C@@H]1C[C@H]2OCCN(C(=O)C3(F)CCC3)[C@@H]2C1 1565544696 QRRXLIRVAFDENN-RRFJBIMHSA-N 328.428 1.463 0 40 EDAB CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)C(C)C)cc2C1 8840383 VHKXAGKZUUNHCT-UHFFFAOYSA-N 346.474 1.545 0 40 EDAB O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCOCC1 9664198 ZYHLVYYOBATDSY-LBPRGKRZSA-N 344.458 1.150 0 40 EDAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1NCCCOC 9827986 DDBDUXWSKRMAQJ-UHFFFAOYSA-N 349.362 1.997 0 40 EDAB CC(C)NC(=O)c1noc2c1C[C@@H](NC(=O)Cc1ccccn1)CC2 2055739045 JEXSNFZSQAYDOC-ZDUSSCGKSA-N 342.399 1.424 0 40 EDAB COCCN1CCO[C@@H]2CCN(C(=O)c3csc(C)n3)CC[C@@H]21 2055745832 GFNPHZSHNDDMMA-LSDHHAIUSA-N 339.461 1.403 0 40 EDAB O=S(=O)(NC1CCN(c2cnsn2)CC1)c1cccs1 575615198 BBCIUBZZGWHWKC-UHFFFAOYSA-N 330.460 1.547 0 40 EDAB COCCn1nc(C(=O)NC[C@@H]2CCCc3ccccc32)ccc1=O 30896638 FEUWZKPABCWFCL-HNNXBMFYSA-N 341.411 1.740 0 40 EDAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 40466054 VZQYRJZNOUVSED-NSHDSACASA-N 340.811 1.836 0 40 EDAB Cc1ccc(CNC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)s1 40540896 LENJTTSWLLFSGG-UHFFFAOYSA-N 345.428 1.709 0 40 EDAB Cc1ccc(-n2nnc(C(=O)N3CCNC(=O)C3)c2C(C)C)cc1 40553363 FMGXCDPDVBLSFE-UHFFFAOYSA-N 327.388 1.271 0 40 EDAB CCN(CC)S(=O)(=O)NCc1cccc(N2CCCC2=O)c1 32444094 PDXLLQUDECYMAR-UHFFFAOYSA-N 325.434 1.490 0 40 EDAB COc1ccc(-c2noc(CS(=O)(=O)C[C@@H]3CCOC3)n2)cc1 52436598 VRMIFRFEBHAZQT-LLVKDONJSA-N 338.385 1.697 0 40 EDAB COc1cccc([C@H](CNC(=O)CCCCNC(N)=O)N(C)C)c1 52839181 VGCVEHVJEBHGEP-HNNXBMFYSA-N 336.436 1.253 0 40 EDAB O=C(/N=c1/ccccn1Cc1ccccc1)[C@@H]1CC(=O)N(C2CC2)C1 104079815 GHWRRTJZFJTGMK-JIQGDJCJSA-N 335.407 1.975 0 40 EDAB COC(=O)c1occc1/C=c1\s/c(=C/C(=O)C(C)(C)C)[nH]c1=O 104868179 VNTVADFMZYSEPF-MITUOZDPSA-N 335.381 1.041 0 40 EDAB Cc1ccc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c(C)c1 105888925 ZCMMVNCBFACIGF-MRXNPFEDSA-N 328.416 1.839 0 40 EDAB O=C(NCCNc1cnccn1)N[C@@H]1CCN(Cc2ccccc2)C1 43238970 IZNDIDLWJRAIOM-MRXNPFEDSA-N 340.431 1.462 0 40 EDAB CN(C)c1ccc(C(=O)NCCNC(=O)c2ccccc2O)cc1 55376483 PUGSUOZELTUSJI-UHFFFAOYSA-N 327.384 1.618 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)C2CCN(Cc3nccn3C)CC2)C1 55377786 WVARAHLPLCNUQV-MRXNPFEDSA-N 347.507 1.480 0 40 EDAB COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccccc2)N(C)C(=O)N1C 24926852 CHKIUWWQKVRTGP-OAHLLOKOSA-N 332.356 1.715 0 40 EDAB C[C@@H]1[C@@H](NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)CCC[C@H]1C 106543615 UQAJTAPPTYGPPA-IDCJVQTKSA-N 343.471 1.840 0 40 EDAB Cc1nc(CN2CCC[C@H](N[C@H](C)C(=O)NCc3ccco3)C2)no1 106869359 YIXOHBWQHXKWQK-OCCSQVGLSA-N 347.419 1.230 0 40 EDAB CC(C)OCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 6049744 CYQUGQHVDZRFPN-ZDUSSCGKSA-N 328.434 1.285 0 40 EDAB CCCCNC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4cc(C)on4)C(=O)[C@H]13)O2 6760594 HAIBJUHUAJTFBZ-LRCAOYNASA-N 331.372 1.186 0 40 EDAB CCOC(=O)N1CCN(C(=O)COC(=O)c2cc(C)ccc2C)CC1 7989918 MARINAKPMAENKV-UHFFFAOYSA-N 348.399 1.761 0 40 EDAB O=C(NCCNc1cnccn1)c1cc(Cl)c2c(c1)OCCO2 43839717 ZSTKSGGCSOXELY-UHFFFAOYSA-N 334.763 1.743 0 40 EDAB CC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2Cl)CC1 44305489 GOZNJXHYODDJAI-UHFFFAOYSA-N 334.800 1.768 0 40 EDAB O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1cnccn1 58136998 QNHQGBZDICCKHT-LLVKDONJSA-N 341.289 1.665 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)c(Cl)c1 58282967 WDBDSQVYOHECEN-SNVBAGLBSA-N 333.793 1.584 0 40 EDAB O=C(CN1CCN(C(=O)Cc2ccccc2Cl)CC1)NCC1CC1 58209221 AEHZPNHJAJJAPW-UHFFFAOYSA-N 349.862 1.553 0 40 EDAB CN(C)C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 44935019 JWLLDKNBRNEOQK-UHFFFAOYSA-N 328.416 1.722 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)c(C)o1 108535121 HFANLIVFCOBZBO-UHFFFAOYSA-N 340.445 1.830 0 40 EDAB COC(=O)CCN(CC(=O)NCc1ccco1)Cc1ccccc1 58305594 WRWRIFLFNILQRU-UHFFFAOYSA-N 330.384 1.961 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CCCN(c2ccccn2)C1 97197719 IKKDDBSQVJQZTN-HUUCEWRRSA-N 325.416 1.626 0 40 EDAB Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2cccnc2)no1 28200396 IRRHOTBFXLIFIL-NSHDSACASA-N 334.401 1.755 0 40 EDAB COc1ccccc1CCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 28427694 NLNZHBZLUZEVAQ-LBPRGKRZSA-N 344.333 1.765 0 40 EDAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@]1(C)C=C[C@]2(C)O1 100184929 PTHYKKLTUPXSHV-OSLDLMBLSA-N 327.336 1.696 0 40 EDAB Cc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)s1 45679195 RRKADIDQNXDORT-AWEZNQCLSA-N 337.445 1.589 0 40 EDAB CNC(=O)NC(=O)CNc1cc2c(cc1Br)OCCO2 11624615 YUDBSSMHBKBGPX-UHFFFAOYSA-N 344.165 1.088 0 40 EDAB COc1ccc([C@H]2NNC(=O)[C@H]2NC(=O)c2cccc(C)c2)cc1 9094797 ILSKKHDJVDEDMV-CVEARBPZSA-N 325.368 1.478 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)NCCN3CCCCC3)ccc21 46855415 UMWLOGGWCXEJQM-UHFFFAOYSA-N 342.443 1.941 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 107195587 RWCVJYKRYDPYLW-OAHLLOKOSA-N 336.395 1.613 0 40 EDAB CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3241678 XKQGDFUEKCGJIW-AWEZNQCLSA-N 340.445 1.362 0 40 EDAB CC(C)CCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 12605512 SWPUMKJZCRUWOI-UHFFFAOYSA-N 346.474 1.545 0 40 EDAB COc1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 12618582 ZAUJCMQAZFEREP-UHFFFAOYSA-N 327.344 1.167 0 40 EDAB C[C@]12CN(NC(=O)Cc3ccccc3)[C@]3(C(N)=O)C[C@@H]1CC[C@]23C 101023475 ACGCPENRHIWURT-FZDIXFNVSA-N 327.428 1.626 0 40 EDAB Cc1ccc2[nH]c(C)c(CC(=O)N3CCN(S(C)(=O)=O)CC3)c2c1 48293014 BIRATPXCIGJVDK-UHFFFAOYSA-N 349.456 1.431 0 40 EDAB O=C(NCc1ccc(-n2cccn2)nc1)c1ccnc(-n2ccnc2)c1 48223896 UMNXPVDJPIWOIS-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC(C)(C)N1CCOCC1 48289715 MKHMYRHDCQCWSB-UHFFFAOYSA-N 343.427 1.886 0 40 EDAB COc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cc1OC 72314086 SMHXMWLWNZZELE-CHWSQXEVSA-N 335.404 1.547 0 40 EDAB CCOc1ncnc2c1CN(Cc1cc(=O)n3ccsc3n1)CC2 97201841 ABDPCDRWWWHBNQ-UHFFFAOYSA-N 343.412 1.503 0 40 EDAB COc1ccc(CNC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1 3448800 ZHLZWKUCWZJXTP-AWEZNQCLSA-N 342.395 1.895 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 64354202 FRCULRRVUCPGON-UONOGXRCSA-N 341.411 1.638 0 40 EDAB C[S@@](=O)c1nncn1CC(=O)c1ccc(Br)cc1 83990408 UTHOHORBZZAABM-SFHVURJKSA-N 328.191 1.661 0 40 EDAB O=C(O)c1cc(S(=O)(=O)NNc2ccccn2)ccc1Cl 49651013 UQLJRAGSWVLMTB-UHFFFAOYSA-N 327.749 1.739 0 40 EDAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2cccs2)N1CCO 13686091 FSSAICSQXHAWEP-ZFWWWQNUSA-N 339.438 1.389 0 40 EDAB COCCCN1CCS(=O)(=O)c2c(Cl)c(F)nc(F)c21 13734377 IKNWFKFIXIEMMC-UHFFFAOYSA-N 326.752 1.643 0 40 EDAB CCO[C@@H]1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 65495869 VFXHJSTYPNBKKP-MRXNPFEDSA-N 341.411 1.933 0 40 EDAB C[S@](=O)c1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1 65575447 LKLJIRVHKATART-JOCHJYFZSA-N 326.418 1.679 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCC(C)(C)c1ccc2c(c1)OCO2 65607335 INFCUWHDVDAKRW-OCCSQVGLSA-N 346.427 1.971 0 40 EDAB O=C(CCNC(=O)c1ccccc1)NC[C@H]1COc2ccccc2O1 14140263 GROUEECGJPKZIV-HNNXBMFYSA-N 340.379 1.763 0 40 EDAB O=C(Nn1cnc2ccccc2c1=O)c1cnn(-c2ccccc2)n1 14122439 JYXOLODTZWDXHY-UHFFFAOYSA-N 332.323 1.361 0 40 EDAB C[C@@H](NCC1(c2cccc(Br)c2)CCOCC1)C(N)=O 97085752 DXRMRHZHIOVAPB-LLVKDONJSA-N 341.249 1.961 0 40 EDAB O=c1[nH]c(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2[nH]1 5626199 GDLYJTGNZHOVAP-UHFFFAOYSA-N 331.641 1.469 0 40 EDAB O=C(CCc1ccccc1OC(F)(F)F)N[C@H]1CCCNC1=O 66643423 UWIZTZJSKJIFBW-NSHDSACASA-N 330.306 1.913 0 40 EDAB C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@@H]1CCCN(C(N)=O)C1 66712077 UGYUDEWQHXJKSB-BMFZPTHFSA-N 331.416 1.766 0 40 EDAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 66932394 RVLRIGOXNXPGKT-RNCFNFMXSA-N 333.392 1.452 0 40 EDAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C(=O)OC)cc1 15016774 KIHMVWZVRCLRAC-ZDUSSCGKSA-N 328.328 1.527 0 40 EDAB C[C@H](O)CCN(C)C(=O)CNC(=O)c1ccc(Br)cc1 97095618 ZOSITNAZFQKUGW-JTQLQIEISA-N 343.221 1.408 0 40 EDAB C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 67132187 ZQMHAXFTODDNGQ-LBPRGKRZSA-N 345.403 1.969 0 40 EDAB Cc1nc(C(F)(F)F)ccc1C(=O)N(C)CC(=O)N1CCOCC1 68009206 UUJBDZSABDUMJJ-UHFFFAOYSA-N 345.321 1.340 0 40 EDAB NC(=O)c1cc(Cl)nnc1N[C@@H]1CCCN(c2ncccn2)C1 72275445 PVWCQPDEBBRRDE-SECBINFHSA-N 333.783 1.100 0 40 EDAB Cc1csc(=O)n1CC(=O)OCC(=O)NCCCc1ccccc1 8036651 QWIVFDRSFBFZCM-UHFFFAOYSA-N 348.424 1.510 0 40 EDAB CCO[C@H]1CCCN(C(=O)CCn2ncc(=O)c3ccccc32)C1 71825578 FHBNUVPBQZVTFJ-AWEZNQCLSA-N 329.400 1.814 0 40 EDAB CN(Cc1ccc(F)cc1)Cn1nc(CCC(N)=O)n(C)c1=S 8111009 OCRIWSVYMMBKIV-UHFFFAOYSA-N 337.424 1.598 0 40 EDAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COc1cccc2c1OC(C)(C)C2 71829801 GQHJZTOUSLUQHR-OCCSQVGLSA-N 346.427 1.891 0 40 EDAB O=C(CN1CCC[C@H]1Cn1cccn1)NCCc1c(F)cccc1F 70040756 MKVJNACTSJSTCR-AWEZNQCLSA-N 348.397 1.985 0 40 EDAB Cn1c(=O)[nH]c2cc(C(=O)N3CCC[C@@H](n4cccn4)C3)ccc21 69421237 VYQQSGHBLILUET-CYBMUJFWSA-N 325.372 1.540 0 40 EDAB Cc1oc(-c2ccco2)nc1CSc1nnc(C)n1CC(N)=O 69593948 QTXXBLREYLUQTA-UHFFFAOYSA-N 333.373 1.921 0 40 EDAB CCCNC(=O)C1(NC(=O)[C@H](C)NC(=O)c2ccoc2)CCCCC1 69514771 SQPHACCPMIDZAS-ZDUSSCGKSA-N 349.431 1.743 0 40 EDAB C[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NCc1ccco1 71839216 XHMPGPVBVIKVCP-NSHDSACASA-N 339.351 1.556 0 40 EDAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCc1noc(C)n1 69630604 LLXMJILLBDIAET-OAHLLOKOSA-N 329.356 1.957 0 40 EDAB O=C(NS(=O)(=O)c1cccnc1)c1ccc(Br)o1 69704617 XTVFTQHJAXUXTO-UHFFFAOYSA-N 331.147 1.556 0 40 EDAB COC(=O)[C@H](OC(=O)c1cccc(-n2cncn2)c1)c1cccnc1 83884364 KANYCCFJUXZMIV-OAHLLOKOSA-N 338.323 1.733 0 40 EDAB COC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)c2cccs2)c(O)c1 71914167 XVQNMWRCVHKLOW-SECBINFHSA-N 348.380 1.997 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)Nc2ccn(C)n2)c(Cl)c1 69895291 GTQZUFUZTXOMLA-UHFFFAOYSA-N 329.765 1.661 0 40 EDAB CC[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CCO1 69875901 LNPMTACRNMJSRB-ZIAGYGMSSA-N 326.462 1.716 0 40 EDAB CCOC(=O)CN1CCC(COC(=O)c2c(CC)noc2C)CC1 69927103 XLOLWOKWHJNCJK-UHFFFAOYSA-N 338.404 1.977 0 40 EDAB Cn1cc([C@H]2CCCN2CC(=O)NC2CCN(C3CC3)CC2)cn1 69981000 PHPQHJZXCDQIHW-QGZVFWFLSA-N 331.464 1.300 0 40 EDAB Cc1ccc(O)c(C(=O)OCC(=O)NC(=O)Cc2ccccc2)c1 8881180 IBMSKNZIKWNDGW-UHFFFAOYSA-N 327.336 1.743 0 40 EDAB Cc1cc(F)c(NC(=O)NCCO)c(I)c1 92842487 ZPRXWWBFOVZKHP-UHFFFAOYSA-N 338.120 1.853 0 40 EDAB O=C(CCNC(=O)NC1CCN(C2CC2)CC1)NCc1ccccc1 84539092 KJMIGLOXFMWGJI-UHFFFAOYSA-N 344.459 1.619 0 40 EDAB O=C(O)[C@H]1COCCN1C(=O)Cc1cccc(Br)c1 88375987 PDYNIAROPKIPMK-LLVKDONJSA-N 328.162 1.304 0 40 EDAB CCOc1cccc(CNC(=O)CN(C)C2CCS(=O)CC2)c1 89269949 MJSNHUJMWCTAMO-UHFFFAOYSA-N 338.473 1.544 0 40 EDAB CCN1CCN(CCCCNC(=O)N2C[C@H](C)S[C@@H](C)C2)CC1 76085550 IIQVUKJKOLUOSB-HOTGVXAUSA-N 342.553 1.940 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 408551860 JIBBRUHAWIAWSY-RYUDHWBXSA-N 328.434 1.585 0 40 EDAB CCN(C)C(=O)c1ccc2c(N3CCN(C)CC3)nnc(C)c2c1 306132357 LGHJHJNEHNXVAO-UHFFFAOYSA-N 327.432 1.782 0 40 EDAB Cc1cccn2cc(CC(=O)N3C[C@H](C)OC4(CCOCC4)C3)nc12 547748428 GPXSCSUSIRVTMQ-HNNXBMFYSA-N 343.427 1.982 0 40 EDAB COc1ccc(CC(=O)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 408626129 ZYYJZCSXZIDIMK-RIMFYDMWSA-N 337.375 1.817 0 40 EDAB O=C(NCC1CCN(CC(F)(F)F)CC1)N1[C@H]2CC[C@H]1CC(O)C2 186717649 UZBFOBHGHMFFCY-STQMWFEESA-N 349.397 1.958 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)N3CCO[C@H](C)C3)CC2=O)cc1 78979266 LXQNCWHWWTYLPJ-UKRRQHHQSA-N 332.400 1.291 0 40 EDAB Nc1nc2nc([C@H]3CCN(C(=O)c4cnccn4)C3)ccc2s1 72368303 NXICTNYYOQUDCD-VIFPVBQESA-N 326.385 1.693 0 40 EDAB NC[C@@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218576930 RDDKBKLXRXKVJK-OWCLPIDISA-N 336.844 1.936 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)OCc2ccnc(Cl)c2)C1 78445850 DNHIVXMMONGSAB-LLVKDONJSA-N 332.809 1.450 0 40 EDAB COc1ccccc1S(=O)(=O)CCCn1nc2ccccn2c1=O 184807031 NOIXNIPCZAWKMO-UHFFFAOYSA-N 347.396 1.369 0 40 EDAB COc1ccc(CCCN(C)C(=O)NC[C@@H]2CN(C)CCN2C)cc1 78926303 GWPJFDCEOLCHAS-QGZVFWFLSA-N 348.491 1.515 0 40 EDAB Cc1cc2n(CCNS(=O)(=O)Cc3ccccc3F)ccn2n1 225580220 LLLXRTKHIZMAPI-UHFFFAOYSA-N 336.392 1.703 0 40 EDAB O=C(NCCn1nc(-n2ccnc2)ccc1=O)c1cc2ccccc2o1 75163017 VDYOCENREIAWPM-UHFFFAOYSA-N 349.350 1.605 0 40 EDAB CC(C)(CC(=O)N[C@@H]1CCN(C(N)=O)C1)CC(=O)c1ccccc1 225665738 UOCSSTSRHQGSKC-CQSZACIVSA-N 331.416 1.945 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 225214035 DQIRONRDELIEFY-GFCCVEGCSA-N 345.440 1.599 0 40 EDAB Cc1ccc(O[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)nn1 225466480 PRSNNSURTNAPNE-CYBMUJFWSA-N 334.401 1.412 0 40 EDAB COc1ccc([C@H]2Cn3cnc(C(=O)N4CCNCC4)c3CO2)cc1 85397330 CTSLXEDGNWPZNM-MRXNPFEDSA-N 342.399 1.209 0 40 EDAB CCCN1CC[C@H](CNC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)C1 195571478 FHSUONQDRIZMHZ-JKSUJKDBSA-N 340.512 1.205 0 40 EDAB CCc1cccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)c1 44304907 XOLNJDOOXKLQPO-MRXNPFEDSA-N 345.443 1.050 0 40 EDAB O=C(Cn1cccc1)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225782853 VJFDGKGYBHCIIS-UHFFFAOYSA-N 326.331 1.220 0 40 EDAB COc1ccccc1CN1CCN2C(=O)N(C3CCOCC3)C[C@H]2C1 85436219 BGJGJZCJCZQAKS-QGZVFWFLSA-N 345.443 1.796 0 40 EDAB biogenic,in-vitro O=C(Cc1cccc2ccccc12)N1CC[C@H](N2C(=O)COC2=O)C1 225702376 AWKQXZXWILFOHU-HNNXBMFYSA-N 338.363 1.962 0 40 EDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)S(C)(=O)=O)c1 330695587 DGTDAHISBIKPPD-BXUZGUMPSA-N 341.429 1.800 0 40 EDAB COC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cncn2C1 96206914 QPZLBBSTWYNYKU-LBPRGKRZSA-N 329.356 1.530 0 40 EDAB O=C(NC[C@@H]1CCCO1)C1=NO[C@@]2(CCN(Cc3cccs3)C2)C1 96225594 JBVMSTKGWKDUET-GUYCJALGSA-N 349.456 1.764 0 40 EDAB O=C(N1CCCC1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 96049182 GEHXKMBKGHKQFN-KRWDZBQOSA-N 331.420 1.364 0 40 EDAB C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)c1ccnnc1 96109749 SMCNSRAJITWFLV-LBPRGKRZSA-N 327.388 1.817 0 40 EDAB CS(=O)(=O)N1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 96208554 TXDISILQCQQOTE-GJZGRUSLSA-N 326.418 1.181 0 40 EDAB CC(C)CN1CCS(=O)(=O)[C@@H]2CCN(c3ccncn3)CC[C@@H]21 96251563 ADJPSNUOOADGQX-LSDHHAIUSA-N 338.477 1.200 0 40 EDAB Cn1cccc1C(=O)N1Cc2cnn(C)c2[C@@H](COCC2CC2)C1 96060119 LMUZCXCDTPZIPZ-OAHLLOKOSA-N 328.416 1.925 0 40 EDAB O=C(Cc1ccco1)N1CCOC[C@H]1c1nccc(N2CCCC2)n1 96215019 MYIVPNOSGKDZCZ-HNNXBMFYSA-N 342.399 1.812 0 40 EDAB CCc1ccc(CN2CC[C@@H]3CN(S(C)(=O)=O)CCO[C@@H]3C2)o1 96249818 XNRLDRJPRPEWCI-CZUORRHYSA-N 342.461 1.324 0 40 EDAB O=C1[C@@H]2CCN(Cc3ccoc3)C[C@@H]2OCCN1c1cccnc1 96107132 IDUYEUOMZXUJTA-SJORKVTESA-N 327.384 1.929 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1ccc(Cn3cccn3)o1)CC2 97198227 LXVADQOANIXDJW-GFCCVEGCSA-N 326.360 1.169 0 40 EDAB O=C(c1cnccn1)N1C[C@@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 96042435 PKSDSZSMQQNLAX-OAGGEKHMSA-N 326.356 1.323 0 40 EDAB Cc1occc1C(=O)N1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 96249739 PFQZLKLJSFLSIQ-GDBMZVCRSA-N 342.399 1.746 0 40 EDAB O=C(c1ccncc1C(F)(F)F)N1CCC[C@@](O)(c2cnn[nH]2)C1 583618946 LIPKPEPNEXGZHN-ZDUSSCGKSA-N 341.293 1.342 0 40 EDAB CCOc1ccc(C(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)cn1 583615499 LPMRNTDPONYUGS-DZGCQCFKSA-N 330.388 1.864 0 40 EDAB CC(C)N(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3cccn3C)C2)O1 96160250 UGZYSNRIVDBANQ-VQIMIIECSA-N 349.475 1.756 0 40 EDAB c1cnc(N2CC[C@]3(COCCN(Cc4ccncc4)C3)C2)nc1 96202312 YNJMSWKKVIAPPK-GOSISDBHSA-N 325.416 1.601 0 40 EDAB CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccoc1)C2 96065006 UYRBHPBOXPFLGY-AEFFLSMTSA-N 336.432 1.869 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 96181929 VKACOPNLKIZSSK-WBVHZDCISA-N 333.407 1.509 0 40 EDAB Cc1ncsc1CN1Cc2cncn2[C@H](C(=O)N2CCCCO2)C1 248046848 QQQBTEUARUKMOS-AWEZNQCLSA-N 347.444 1.759 0 40 EDAB Cn1cc(C(=O)N2CC3(C2)OCC[C@H]3COc2ccccn2)cn1 248131635 NKOMLQQTENOBLX-AWEZNQCLSA-N 328.372 1.125 0 40 EDAB CCOCC[C@@H](O)Cn1cnc2c(ncn2-c2ccccc2)c1=O 585138105 ODEOWEYTTOSKOQ-CQSZACIVSA-N 328.372 1.370 0 40 EDAB Cc1ccc(C)c(OS(=O)(=O)CC2CN(S(C)(=O)=O)C2)c1C 585135173 FJTHYRQGCWBTCZ-UHFFFAOYSA-N 347.458 1.212 0 40 EDAB CC(C)(C)CN1CCC[C@H](N2CC[C@H](c3cc(O)nc(N)n3)C2)C1=O 585116084 GYZOPTURWMSEQA-JSGCOSHPSA-N 347.463 1.591 0 40 EDAB Cc1nccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257207864 BJRJMTGDYYMTLW-HNNXBMFYSA-N 327.388 1.601 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(C(=O)c3cc(C)no3)CC[C@H]21 257311585 UKFDQSNCRABMDY-UONOGXRCSA-N 335.404 1.473 0 40 EDAB Cc1nc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)co1 257285572 PHUVXIMMSSPEMU-MRXNPFEDSA-N 334.351 1.278 0 40 EDAB CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2C(=O)CN)n1 257336149 YNKFMWRQHQNBOZ-HNNXBMFYSA-N 325.416 1.832 0 40 EDAB COc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c1 257336103 YNEJPUUQQAPKOC-IAGOWNOFSA-N 327.384 1.065 0 40 EDAB CN(C)Cc1ccnc([C@H]2CCCN2S(=O)(=O)C2CCCC2)n1 257304087 SJZQRLISBOASRG-OAHLLOKOSA-N 338.477 1.948 0 40 EDAB Cc1ccccc1OCCCNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 252536812 JPXAMRMBEIHSSN-AEFFLSMTSA-N 347.459 1.878 0 40 EDAB CCOC(=O)CN(CC1CC1)C(=O)CN1C(=O)COc2ccccc21 64946578 KNOKCQLQGZSKFW-UHFFFAOYSA-N 346.383 1.214 0 40 EDAB NS(=O)(=O)[C@@H]1CCN(C(=O)C2(c3ccccc3F)CCCC2)C1 601746401 NEVDOZTUMIPSOX-GFCCVEGCSA-N 340.420 1.527 0 40 EDAB C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NCc1nn[nH]n1 602164856 GRDAWOGEODDGKT-NSHDSACASA-N 338.371 1.674 0 40 EDAB Cc1nc2ccc(N3CCN(C(=O)c4cccc(O)c4)CC3)nn2n1 281000478 PNJNDVLEZWQWRN-UHFFFAOYSA-N 338.371 1.101 0 40 EDAB O=S1(=O)C[C@@H](c2ccccc2)CN1Cc1nnc2n1CCCC2 1615001793 ZHUKJYPCKLGHAX-AWEZNQCLSA-N 332.429 1.544 0 40 EDAB CN1CCn2nc(NC(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)cc2C1=O 1615549064 JGWDIBPUKWKNHV-CHWSQXEVSA-N 343.362 1.785 0 40 EDAB COCC[C@@H]1[C@@H](NCC(=O)NC(C)C)CN1C(=O)OC(C)(C)C 1615571170 GJRRYKBTHWOZEE-QWHCGFSZSA-N 329.441 1.125 0 40 EDAB Cc1nc(C)c(Br)c(N2CC(c3ccnc(N)n3)C2)n1 1615613833 CPFOCMAOXQMGOA-UHFFFAOYSA-N 335.209 1.832 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)c(F)c1 390834016 QIQPNULLLNTUJE-UHFFFAOYSA-N 348.296 1.932 0 40 EDAB COc1ccc(C(=O)Nc2ccc(N(C)C)cn2)cc1OCCO 390834363 XCBRQLQWXIUVAI-UHFFFAOYSA-N 331.372 1.780 0 40 EDAB CCOCC(=O)N1CC2(C[C@@H](OCc3cnccc3C)CCO2)C1 575403330 HIEZKTBSTREVTI-INIZCTEOSA-N 334.416 1.703 0 40 EDAB COCCNC(=O)[C@@H]1CN(C(=O)c2cccc(C)c2)Cc2ccnn21 575405159 ROMYUNWUDPNGQW-INIZCTEOSA-N 342.399 1.151 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4ccnn4C)C[C@H]3C2)cs1 585107602 OWGYRMUPUWZVNV-BETUJISGSA-N 331.445 1.389 0 40 EDAB Cc1cc(CC(=O)N2CC[C@@](O)(COc3ccccc3)C2)ccn1 585276511 MEDQEXJSGWMNBY-IBGZPJMESA-N 326.396 1.975 0 40 EDAB COc1cncc(N2CCN(C(=O)[C@@H](C)OC[C@H]3CCCO3)CC2)c1 585140829 LGLDGCIMGKAJKX-GDBMZVCRSA-N 349.431 1.323 0 40 EDAB CN(CC(=O)NCc1ccccn1)[C@@H]1CCCN(c2cccnn2)C1 70021152 PDSNENCUUWXSDM-MRXNPFEDSA-N 340.431 1.089 0 40 EDAB O=C([C@H]1CCCN(Cc2nnsc2Cl)C1)N1CCOCC1 54994183 HTEJBFRITNUIDY-JTQLQIEISA-N 330.841 1.262 0 40 EDAB Cc1cc(C)cc(OCCN(C)Cc2cc(=O)n(C)c(=O)n2C)c1 56696302 ZLJZUNWTJMOPOD-UHFFFAOYSA-N 331.416 1.212 0 40 EDAB CN(C(=O)NCCCn1cccn1)[C@@H]1CCN(c2ccccc2)C1=O 73605836 ZIKIDEMWDGSAOX-MRXNPFEDSA-N 341.415 1.720 0 40 EDAB CCOC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(C)(C)C 75108319 FAKJXSAOUMNCDO-GHMZBOCLSA-N 330.425 1.994 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cn[nH]c2-c2cccc(C)c2)C1 95999497 CLVFMSQTRCLHLB-MRXNPFEDSA-N 348.472 1.899 0 40 EDAB Cc1cc(C(=O)N2C[C@@H](N)[C@H](c3ccnn3C)C2)nc2ccccc12 1615588705 CYCDHZXDMJBVMS-HUUCEWRRSA-N 335.411 1.844 0 40 EDAB COc1ccc2c(c1OC)C(=O)O[C@@H]2c1oc(CO)cc(=O)c1O 11690693 BHWROKWLHJGNGF-ZDUSSCGKSA-N 334.280 1.115 0 40 EDAB biogenic Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3C[C@@H](C)C[C@H](C)C3)n2)o1 12182739 NNUCOGFPEQPNNU-RYUDHWBXSA-N 344.415 1.898 0 40 EDAB Cn1c(=O)c2cc(C(=O)NCc3cccs3)sc2n(C)c1=O 12422778 PWCNABBFARDTGU-UHFFFAOYSA-N 335.410 1.290 0 40 EDAB COc1cc(/C=C2\SC(=O)N(CCN)C2=O)cc(OC)c1OC 12563011 XQYKSNBUAJLARQ-WQLSENKSSA-N 338.385 1.707 0 40 EDAB CC1CCN(CC(=O)N2CCO[C@H](C(=O)NC3CCCC3)C2)CC1 19747857 RPCDSPIATDERCI-INIZCTEOSA-N 337.464 1.005 0 40 EDAB CCCCS(=O)(=O)N1CC[C@H](Oc2ccc(N(C)C)nn2)C1 225450179 KNXFLTXEXLLYFQ-LBPRGKRZSA-N 328.438 1.126 0 40 EDAB COc1cc(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)nn1C 547807825 PWFUAMTWMLZKFV-GFCCVEGCSA-N 343.305 1.911 0 40 EDAB COc1ccc(CCC(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1 253406539 URSHUFKAJZMIGA-UHFFFAOYSA-N 345.399 1.171 0 40 EDAB Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)no1 3329459 GFDAFZYXZAEMDM-KRWDZBQOSA-N 340.339 1.315 0 40 EDAB CSc1ncccc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 6762851 FCRBBXLTZLFNFG-UHFFFAOYSA-N 345.380 1.698 0 40 EDAB Cc1cc(CN2CCN(c3cc(C4CCOCC4)ncn3)CC2)on1 1888843477 AKGYQMCZVFAKOB-UHFFFAOYSA-N 343.431 1.989 0 40 EDAB CC(C)(C)c1nnc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)s1 1889108547 KIBOVNOSRMYSIE-JTQLQIEISA-N 344.506 1.886 0 40 EDAB Cc1cccc(NC(=O)[C@H](C)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 16378957 NQTPKLLOBHDNPN-RDJZCZTQSA-N 345.443 1.645 0 40 EDAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(C(=O)c3ccncc3)[C@@H]2CN1 2037984138 RNVVQYKZUZWULI-JFIYKMOQSA-N 337.379 1.205 0 40 EDAB CCn1c(=O)c2c(nc3n(CC)c(-c4ccccc4)cn23)n(C)c1=O 4370796 XTPPFXIKEFXFIZ-UHFFFAOYSA-N 337.383 1.856 0 40 EDAB CC[C@H](C)n1c(C)cn2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 10233547 BZVQKOIZFRCDSQ-ONGXEEELSA-N 345.403 1.579 0 40 EDAB O=C(C[C@@H](C(=O)O)N1CCNCC1)Nc1c(Cl)cccc1Cl 22592783 XJYYMWAGVYHDLB-NSHDSACASA-N 346.214 1.680 0 40 EDAB CC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(CCN(C)C)C2=O 28712231 VQQUFGOEIGXAOM-UHFFFAOYSA-N 325.368 1.956 0 40 EDAB in-vitro COc1c(C)cnc(CNS(=O)(=O)N2CCCC[C@@H]2C)c1C 51162762 NUSQZQIDBLBVGD-LBPRGKRZSA-N 327.450 1.916 0 40 EDAB O=C(CS(=O)(=O)c1ccc(F)c(Cl)c1)NCC(F)(F)F 40540018 WWVUTIODBGZBMX-UHFFFAOYSA-N 333.690 1.931 0 40 EDAB COc1c2c(c(NC(=O)[C@H]3CCCO3)c3c1OCO3)CCN(C)C2 32124030 LSVYKTHRGFAZHW-GFCCVEGCSA-N 334.372 1.529 0 40 EDAB biogenic O=C1O[C@H](C(=O)Nc2ccc3c(c2)C(=O)NC3=O)Cc2ccccc21 32850733 YQQJFULMZXEXSB-AWEZNQCLSA-N 336.303 1.290 0 40 EDAB COc1ccc([C@@H](NC(=O)CN2CCN(CCO)CC2)C(C)C)cc1 22817583 VLUWBGANFLXZOC-IBGZPJMESA-N 349.475 1.118 0 40 EDAB CC[C@@H](Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)C(=O)OC 54397348 MTOBZVHLBJHSAC-LLVKDONJSA-N 330.406 1.309 0 40 EDAB C[C@H](C(=O)OCC(=O)c1cccn1C)N1C(=O)c2ccccc2C1=O 23420048 YBJWGJPXVCWCBO-LLVKDONJSA-N 340.335 1.436 0 40 EDAB NC1=Nc2nc3ccccc3n2[C@@H](c2cnc(N3CCCC3)nc2)N1 54681288 JNMTZEDTVDOCGQ-AWEZNQCLSA-N 334.387 1.523 0 40 EDAB CCc1ccc(S(=O)(=O)NC[C@H](C)N2CCN(C)CC2)s1 78049963 NOTGVRYNXOWLFG-LBPRGKRZSA-N 331.507 1.225 0 40 EDAB C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CCO1 24681829 ZPBBFIHXRZTTQT-RYUDHWBXSA-N 332.356 1.016 0 40 EDAB CC(C)c1cc(NC(=O)[C@H]2CC(=O)N(C)C2)n(-c2ncccn2)n1 78717284 PAMMWWFLUVIMFT-NSHDSACASA-N 328.376 1.203 0 40 EDAB NC1=N[C@@H](c2ccc(OCC(=O)O)cc2)n2c(nc3ccccc32)N1 1432054 LGTIGIQJEPXFAO-OAHLLOKOSA-N 337.339 1.787 0 40 EDAB COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@@H]1N2C(N)=O 1645157 KNJVSCVZXDFUKO-ZOBORPQBSA-N 332.356 1.317 0 40 EDAB CN(CCOC[C@@H]1CCCO1)C1CCN(C2CCOCC2)CC1 95400875 QJKDFPKACDGZPI-SFHVURJKSA-N 326.481 1.757 0 40 EDAB Cc1c(NC(=O)c2ccccc2-n2cnnn2)cccc1-n1cnnn1 24993329 HYEQOYJXQQFHCW-UHFFFAOYSA-N 347.342 1.199 0 40 EDAB C[C@@H](NC1CCCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3444280 GCRKSUASBKUWGK-GFCCVEGCSA-N 339.461 1.973 0 40 EDAB Cc1cc(CN(C)C(=O)Cn2nc(-c3cccs3)oc2=O)no1 25137822 UBYFJYOKLAVPGS-UHFFFAOYSA-N 334.357 1.520 0 40 EDAB CCc1nc(NC(=O)CN2CCN(C[C@H](C)O)[C@H](C)C2)sc1C 106929156 AEUUVYAMMDMTNV-NEPJUHHUSA-N 340.493 1.339 0 40 EDAB Cc1noc(C)c1CSCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 25316974 XPNXGTYHFPXASA-NSHDSACASA-N 332.447 1.170 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)N1CCCC1 4984941 KZFLYJOGFZDFPV-HNNXBMFYSA-N 327.384 1.260 0 40 EDAB COCCCNC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 6327831 LQCVCYPOEKXLBR-UHFFFAOYSA-N 342.461 1.459 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)NCCn2ccnc2)CC1=O 43946680 TXNSJCVARUTJGB-OAHLLOKOSA-N 326.400 1.615 0 40 EDAB O=C(CCn1nnc2ccccc2c1=O)N[C@H]1CCc2ccccc2C1 57656958 DGVDDAYWYYTUJM-INIZCTEOSA-N 348.406 1.855 0 40 EDAB CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8475923 KHBYRHUARIRLBE-UHFFFAOYSA-N 328.434 1.864 0 40 EDAB Cc1csc(CNC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)n1 44894644 ZIWYJKYSVWKFQQ-NSHDSACASA-N 331.397 1.882 0 40 EDAB CC(=O)NCCNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 58250021 QITGBEYVMPWWEL-OLZOCXBDSA-N 325.206 1.805 0 40 EDAB CC(C)(C)CC(=O)NCC(=O)Nc1ccn(Cc2cccnc2)n1 58280813 QWBWDRRDNDWCSB-UHFFFAOYSA-N 329.404 1.817 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCc1ccccc1 9112854 NMUMKWWXTKUELG-UHFFFAOYSA-N 345.424 1.013 0 40 EDAB CN(C)c1cccc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)c1 58201094 SHHHIJZQLWTHOV-UHFFFAOYSA-N 338.411 1.722 0 40 EDAB CC(C)CCCNC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 44969218 KCFVIQYNMJUJGY-UHFFFAOYSA-N 345.451 1.631 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)o1 44943756 ZIVNPRZXFSKSKF-VXGBXAGGSA-N 344.433 1.513 0 40 EDAB CNS(=O)(=O)c1ccc(-c2nc(-c3ccc(OC)cc3)no2)o1 44974412 SSEXBFUGFFYPDN-UHFFFAOYSA-N 335.341 1.913 0 40 EDAB C[C@H](O)CN(CC(=O)Nc1sccc1C(N)=O)c1ccccc1 58331983 GBYXZTQPQUSTEQ-NSHDSACASA-N 333.413 1.673 0 40 EDAB C[C@H]1CN(C(=O)c2cc(Cl)ccc2NS(C)(=O)=O)C[C@H](C)O1 58357702 NEHYUAHQWYZEKY-UWVGGRQHSA-N 346.836 1.961 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C 10457590 PBVKAPMNDQRKLR-UHFFFAOYSA-N 331.372 1.653 0 40 EDAB Cc1ccc(-c2cc(C(=O)OCC(=O)N3CCCC3=O)on2)cc1 47946359 RYZZGARRLYUIBX-UHFFFAOYSA-N 328.324 1.956 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)CN2CCN(C)C[C@@H]2C)cc1 89939050 POKOULGADGHYGS-INIZCTEOSA-N 333.476 1.768 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1 89938456 YFRCIYGSDYVLKO-CQSZACIVSA-N 326.400 1.068 0 40 EDAB O=C(Nc1ccc(Cn2ccccc2=O)cc1)N[C@@H]1CCCNC1=O 75582218 CNLLCCHMMXCTMQ-OAHLLOKOSA-N 340.383 1.297 0 40 EDAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCCCc1nc2ccccc2[nH]1 11485523 PVBVEUISZQLFQR-IAQYHMDHSA-N 331.420 1.695 0 40 EDAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2ccccc2F)c1 102015857 ZGLYDHHTQBGKNH-VGWMRTNUSA-N 341.342 1.737 0 40 EDAB CNC(=O)C1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1 29164118 IZSBZZUFSPKOAI-UHFFFAOYSA-N 344.459 1.683 0 40 EDAB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)NCc1ccccc1 12323518 MIKPRRDWPPYNSU-CYBMUJFWSA-N 333.413 1.023 0 40 EDAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1ccc(N2CCCCC2)cc1 12607783 RTSZBPJDNOIXQA-UHFFFAOYSA-N 342.399 1.556 0 40 EDAB CCS(=O)(=O)NCCSc1nnc(Cc2ccccc2)o1 68043610 XBVJSCROUKHZLP-UHFFFAOYSA-N 327.431 1.692 0 40 EDAB COCCN1CCCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 48289717 QPYNLNPXZQNMTE-UHFFFAOYSA-N 330.384 1.587 0 40 EDAB CC(C)c1cc(N2CCC[C@H](N3CCNC3=O)C2)nc(N(C)C)n1 95402808 SZMMDCGBXSPZLO-ZDUSSCGKSA-N 332.452 1.660 0 40 EDAB CCN1C[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H](C)C1 76058541 XATFPABZPLFHKT-TZMCWYRMSA-N 340.445 1.466 0 40 EDAB COc1ncccc1NC(=O)NCc1ccc(S(C)(=O)=O)cc1 48302625 GKIGDCJXOUQYRA-UHFFFAOYSA-N 335.385 1.815 0 40 EDAB Cc1nc(SCC(=O)N2CCNC2=O)n(C[C@@H]2CCCO2)c1C 48355210 UVTLCWPSJRYLPZ-LBPRGKRZSA-N 338.433 1.323 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)n1 76046004 RZDNWSHLVYIUEA-AWEZNQCLSA-N 347.419 1.895 0 40 EDAB CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 48603884 WFJJZRWOWQHKOD-NSHDSACASA-N 348.428 1.397 0 40 EDAB c1cnc(N2CCC[C@@H](NCc3cnc(N4CCCC4)nc3)C2)nc1 48745265 XYQGFJYLMHCSBP-MRXNPFEDSA-N 339.447 1.625 0 40 EDAB CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NC[C@H]1CCCO1 95433489 BADALPQBKUQHTN-UONOGXRCSA-N 340.445 1.717 0 40 EDAB O=C(C1CC=CC1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005315 GTHRVXFVINDWCS-HNNXBMFYSA-N 326.462 1.806 0 40 EDAB CC(C)CNC(=O)C(=O)Nc1cccc(C(=O)c2nccn2C)c1 49549331 WFMXUUCTXREAEX-UHFFFAOYSA-N 328.372 1.362 0 40 EDAB COc1ccc(CSC(=S)N[C@@H]2CCS(=O)(=O)C2)cc1 4294122 FXRFSNSKARUYAJ-LLVKDONJSA-N 331.484 1.990 0 40 EDAB COc1ccccc1CNC(=O)Cn1c(CO)nc2ccccc21 5186111 BSPOPFJEGDXMIC-UHFFFAOYSA-N 325.368 1.854 0 40 EDAB Cc1nc(C(=O)N2CCC(N(C)C)CC2)nn1-c1ccc(F)cc1 65399461 JNXRSPCSDKTMKL-UHFFFAOYSA-N 331.395 1.881 0 40 EDAB O=C(NCc1nnc2n1CCC2)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 65393137 PBHZHRQWCJAOAR-KBPBESRZSA-N 349.435 1.094 0 40 EDAB O=C(N[C@@H]1CCCc2c1cnn2CCO)N[C@@H]1CCN2CCCC[C@H]12 65446550 VYNVAYNCXVXOEX-BFYDXBDKSA-N 347.463 1.179 0 40 EDAB NC(=O)c1ccc(NCC(=O)N2CCc3sccc3C2)cc1F 65542707 SDDCPOXJKZZRNV-UHFFFAOYSA-N 333.388 1.983 0 40 EDAB COc1ccc(CNC(=O)N2CCN(c3cnccn3)CC2)cc1O 65520206 UEMWIAKMKPYOMR-UHFFFAOYSA-N 343.387 1.223 0 40 EDAB NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2ccc(F)cc2)c1 65547573 JAHNSWYCXZMGJL-UHFFFAOYSA-N 347.321 1.822 0 40 EDAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)CCNS(C)(=O)=O 65613311 UCXTVOOJOBWQNS-ZDUSSCGKSA-N 334.441 1.826 0 40 EDAB C[S@@](=O)c1ncn(C[C@H](O)COCc2ccccc2Cl)n1 95438981 HXOVXLULIHNZRT-MQJDWESPSA-N 329.809 1.247 0 40 EDAB O=C(Cn1ccnn1)Nc1cnn(-c2ccccc2Br)c1 95440445 FZGYOPAQFUKFDE-UHFFFAOYSA-N 347.176 1.865 0 40 EDAB CN(C)CCCNC(=O)C(=O)Nc1ccccc1Br 42645752 DEBMKYYCGLAJLR-UHFFFAOYSA-N 328.210 1.456 0 40 EDAB O=S(=O)(NCCN1CCOCC1)c1ccccc1C(F)(F)F 19878747 LESRBIWJVFJQSB-UHFFFAOYSA-N 338.351 1.316 0 40 EDAB COCc1cc(NCc2ccc([C@H](C)O)c(C)n2)n2ncnc2n1 95455226 BKDAWHUOKRFSBI-NSHDSACASA-N 328.376 1.640 0 40 EDAB COc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1NC(C)=O 7308121 FYWLMVAIEJRIPC-GHMZBOCLSA-N 342.417 1.452 0 40 EDAB CCN(CC(=O)NC(=O)NC)CC(=O)Nc1cc(Cl)ccc1C 7458895 RRERADCTXHEVAG-UHFFFAOYSA-N 340.811 1.364 0 40 EDAB CC1CCN(C(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)CC1 15858483 VRPAAOPZTVCAJJ-UHFFFAOYSA-N 336.413 1.625 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cnccn2)cc1 68112831 RWVADIMIFWDMQU-AWEZNQCLSA-N 344.396 1.639 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)N1CCc2ccccc21 71876175 HQGQGXCUYHEOLV-MRXNPFEDSA-N 325.416 1.722 0 40 EDAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCN(Cc3cccnc3)CC2)cn1 71841316 OXEOMRVJTYRCSJ-DLBZAZTESA-N 325.416 1.263 0 40 EDAB O=C(CN1CCC[C@@H](N2CCNC2=O)C1)N1CCc2ccccc2C1 71830535 YTECYMFGMROXLE-QGZVFWFLSA-N 342.443 1.061 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)C2(c3ccccc3)CC2)CC1 71881960 UYGFDTHFXGAJJK-KRWDZBQOSA-N 332.444 1.260 0 40 EDAB O=C([C@H]1CCCN1C(=O)c1nccc2ccccc12)N1CCOCC1 71893216 AKVNVANVXYMTLB-MRXNPFEDSA-N 339.395 1.698 0 40 EDAB Cc1nc(CN2CCCN(Cc3c(C)nn(C)c3Cl)CC2)no1 71877590 CULYGEJUPYDXQB-UHFFFAOYSA-N 338.843 1.781 0 40 EDAB Cc1ccc(-c2n[nH]cc2CNCCCN2CCC(C(N)=O)CC2)o1 71819600 KKQCSZAYEMMOOK-UHFFFAOYSA-N 345.447 1.655 0 40 EDAB CCOC(=O)C1(O)CCN(C(=O)Cc2cn(C)c3ccccc23)CC1 71916621 OXHLJESVQVSBTQ-UHFFFAOYSA-N 344.411 1.637 0 40 EDAB CC(C)[C@H](C)NC(=O)COC(=O)[C@H](NCC(F)(F)F)C(C)C 71922229 KECZUUNGDXHLBF-CMPLNLGQSA-N 326.359 1.867 0 40 EDAB CC(C)Cn1nnnc1S[C@H](C)C(=O)NCC(=O)c1ccccc1 71916379 KMOZBNJYKAIDPF-GFCCVEGCSA-N 347.444 1.809 0 40 EDAB O=C1OC[C@H](Cc2ccccc2)N1CN1CCC2(CC1)OCCO2 70007112 OEZMVMBKYRIZCF-INIZCTEOSA-N 332.400 1.846 0 40 EDAB CC(C)(C)c1cc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)on1 69391740 WKXNOSFRIMAJSF-CYBMUJFWSA-N 347.419 1.508 0 40 EDAB CCc1ccc(OCC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 8339394 UTBJXARWIUMTOT-QGZVFWFLSA-N 340.379 1.907 0 40 EDAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(N2CCCC2)nc1 69435657 AGJBBCXDOSOYPH-AWEZNQCLSA-N 348.472 1.675 0 40 EDAB CC(=O)c1cccc(OCC(=O)N(C)CC(=O)NCc2ccco2)c1 8429137 VPCFSTUHTPQMEZ-UHFFFAOYSA-N 344.367 1.636 0 40 EDAB NC(=O)CN1CCCN(C(=O)C2(c3ccc(F)cc3)CCC2)CC1 69508059 YHGAIDQRPKCZLQ-UHFFFAOYSA-N 333.407 1.267 0 40 EDAB COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@H](N(C)C)C2)c1 69618770 YZWLHBVOXMELLE-GJZGRUSLSA-N 349.475 1.907 0 40 EDAB CCOc1ncccc1C(=O)N1CSC[C@@H]1C(=O)N(CC)CC 69616694 AUNCNVJSPOAKJS-CYBMUJFWSA-N 337.445 1.864 0 40 EDAB Cc1cc2cc(CN3CCN4C(=O)C(=O)NC[C@@H]4C3)oc2cc1C 91866569 ZCQBKYBCQSPDJZ-CQSZACIVSA-N 327.384 1.192 0 40 EDAB O=C1[C@H](NS(=O)(=O)c2cccs2)CCN1c1ccccc1F 69744360 AWIYHIRDHJDWBH-LLVKDONJSA-N 340.401 1.971 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408601864 CACAMVSFVIEGBX-VHSXEESVSA-N 348.852 1.930 0 40 EDAB C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCN(C)c1ccccc1 69776868 GXOCZBMOPAZPNI-JKSUJKDBSA-N 346.475 1.167 0 40 EDAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)CCc2cscn2)CC1 69775321 XNIDQYXOZKPVNU-AWEZNQCLSA-N 325.478 1.627 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2ccccc2Br)CC1 69979506 YDOGQYTXLDWICW-GFCCVEGCSA-N 341.249 1.978 0 40 EDAB CNC(=O)NC(=O)[C@H](C)OC(=O)CNc1cccc(C(F)(F)F)c1 69974513 FXUGPJBSZPHNLC-QMMMGPOBSA-N 347.293 1.505 0 40 EDAB Cc1ccc(-c2csc(NC(=O)Cn3ccc(=O)[nH]c3=O)n2)cc1 8984826 KGSLNPNZRBKJCA-UHFFFAOYSA-N 342.380 1.607 0 40 EDAB COc1ccc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)c(OC)c1OC 8971329 RKWAFIRPEBSYAZ-JTQLQIEISA-N 345.355 1.578 0 40 EDAB Cc1cc(C(=O)NCC(N)=O)nn1-c1ccc(Cl)cc1Cl 95988735 DGJJLXXNTURONL-UHFFFAOYSA-N 327.171 1.703 0 40 EDAB CC[C@@H](CO)N1CCN(Cc2cc(C)nc(N3CCCCC3)n2)CC1 97084443 NEHLPVMJZUPDBD-SFHVURJKSA-N 347.507 1.664 0 40 EDAB O=C(CN[C@@H](c1c(F)cccc1F)C(F)(F)F)N1CCNC1=O 97056188 HFNFICVRFOWQCS-NSHDSACASA-N 337.248 1.710 0 40 EDAB C[C@H](OC(=O)[C@H]1CCCS1)C(=O)NC(=O)NC1CCCCC1 72312543 OSZVNVKITRTUQX-CMPLNLGQSA-N 328.434 1.972 0 40 EDAB Cn1cc([C@@H]2OCC[C@@H]2CNCc2cnc(N3CCCC3)nc2)cn1 84317569 YUHOQIMRQPCTAG-NVXWUHKLSA-N 342.447 1.678 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N(C[C@H](C)O)C1CCCCC1 95972866 BOWOBYWFFQQCCS-NSHDSACASA-N 329.466 1.741 0 40 EDAB Cc1cccc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)c1 95357354 XPSBUFXLRVHYCW-UHFFFAOYSA-N 344.459 1.174 0 40 EDAB O=C(c1sccc1-n1cnnn1)N1CCC[C@H]1[C@H](O)C(F)(F)F 84618187 NEPVRRHXGLMFAD-WPRPVWTQSA-N 347.322 1.252 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCOC)cc1 28208441 JLJIWSYHBSYFFX-UHFFFAOYSA-N 342.461 1.412 0 40 EDAB O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3cccs3)C[C@H]1C2 306136636 PYUPQMAVRVPSLI-VXGBXAGGSA-N 343.456 1.536 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)N1CCO[C@H](c2ccccc2)C1 61721536 WFMDRRBPGPLDHM-SFHVURJKSA-N 349.390 1.997 0 40 EDAB CCOC(=O)N1CCC(NC(=O)Cc2cn3ccsc3n2)CC1 24471383 PZWWOJYJILIIKD-UHFFFAOYSA-N 336.417 1.675 0 40 EDAB CCn1ccnc1CN1CC[C@@](NC(C)=O)(c2nc(C)cs2)C1 548673881 FKTKDNRSYHRBTJ-INIZCTEOSA-N 333.461 1.905 0 40 EDAB C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1cnn(-c2ccccc2F)c1 558102545 HACJRDHMJYMKPO-CZUORRHYSA-N 346.406 1.539 0 40 EDAB O=C(Cc1noc(C(=O)NCC2CC2)n1)Nc1ccc(F)cc1F 36358421 QNPYSGWGXLBLGB-UHFFFAOYSA-N 336.298 1.669 0 40 EDAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)C1=NO[C@@]2(CCCNC2)C1 1548547178 LSYIWNJAASUYSC-SKDZVZGDSA-N 331.416 1.513 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCCC2)NC[C@H]1C[C@@H]2C=C[C@H]1C2 71280238 CNWYMXRVLBUUON-IJEWVQPXSA-N 327.428 1.841 0 40 EDAB FC(F)(F)[C@H]1CN(Cc2nnnn2Cc2ccccc2)CCO1 71752457 FEJKJZMADSMWOV-GFCCVEGCSA-N 327.310 1.485 0 40 EDAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCc1ccco1 32093843 VXBGVBNCGCCYPU-ZDUSSCGKSA-N 341.367 1.065 0 40 EDAB O=C(NCC[C@H]1CCN(C(=O)c2nc[nH]c3nccc2-3)C1)C(F)F 1059968123 WTBAEHDPJHCXFC-VIFPVBQESA-N 337.330 1.143 0 40 EDAB COC(=O)N1CCc2ccccc2[C@H]1C(=O)N[C@H]1CCSC1=O 75165744 FEDLUEWBDMMLPC-STQMWFEESA-N 334.397 1.501 0 40 EDAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1 79670402 FBKRSZZALAQRNH-DLBZAZTESA-N 326.396 1.457 0 40 EDAB CNc1cnc(C[C@H]2COCCN(C(=O)c3ccccc3)C2)cn1 72388225 JSVRVXMFTYSWOB-CQSZACIVSA-N 326.400 1.850 0 40 EDAB Cc1cc(C)c(-n2cnnc2)cc1NC(=O)c1nccnc1C(=O)O 72405418 JTWVIALYHLKQGK-UHFFFAOYSA-N 338.327 1.625 0 40 EDAB CCN(Cc1c(F)cccc1F)C(=O)CCCN1C(=O)CNC1=O 78393905 PFCYEYZELFWTAG-UHFFFAOYSA-N 339.342 1.645 0 40 EDAB CO[C@@]1(C)CCCN(C(=O)NCCC2CCS(=O)(=O)CC2)C1 527452262 QHVDHTSJPLFSSP-HNNXBMFYSA-N 332.466 1.412 0 40 EDAB Cn1nc(C(=O)NCc2cccnc2)cc1NC(=O)c1ccco1 40745741 AFGUYYJBECCECT-UHFFFAOYSA-N 325.328 1.590 0 40 EDAB C[C@]1(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)NC(=O)NC1=O 528700954 FNSGDNRIEAKTFR-OGHNNQOOSA-N 347.440 1.688 0 40 EDAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)c(F)c1 323813514 MDFUFJWFIQBODO-UHFFFAOYSA-N 338.316 1.424 0 40 EDAB CC(C)(C)C(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 21623548 QOQAVDBQUCOYOH-VIFPVBQESA-N 332.447 1.754 0 40 EDAB CCCN(Cc1noc(C2CC2)n1)S(=O)(=O)N1CCCCC1 85261996 BLSQCHKIISRJGZ-UHFFFAOYSA-N 328.438 1.890 0 40 EDAB COc1ccc(CCS(=O)(=O)NCC[C@H](O)c2ccco2)cc1 77111804 ZZQXWTWBPNUSQJ-HNNXBMFYSA-N 339.413 1.874 0 40 EDAB C[C@H](CNC(=O)Cn1cncn1)Oc1cccc(Br)c1 81303349 YRWCPNFMRNLPDB-SNVBAGLBSA-N 339.193 1.624 0 40 EDAB Cc1nc2c([nH]1)CC[C@H](C(=O)N1CCC(Oc3cnccn3)CC1)C2 225522425 JHCHYPVEFIOTHH-ZDUSSCGKSA-N 341.415 1.683 0 40 EDAB O=C(c1ccncn1)N1C[C@@H]2CN(Cc3ccsc3)CCO[C@@H]2C1 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0 40 EDAB O=S1(=O)Cc2cnc(N3CCCC3)nc2[C@H]2CN(CC3CC3)C[C@H]21 96251954 IFJDWBGHJPJYMA-LSDHHAIUSA-N 348.472 1.183 0 40 EDAB C[C@@H](Cn1ncc2ccccc21)C(=O)N1CSC[C@H]1C(=O)N(C)C 241701748 QKWZJBIJZPTZKF-WFASDCNBSA-N 346.456 1.662 0 40 EDAB CCn1nccc1[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccccc1C 585113741 AEQACJFKUGZNAJ-PBHICJAKSA-N 326.400 1.961 0 40 EDAB Cc1cc(C[C@H]2COCCN(C(=O)c3ccnc(C)n3)C2)ncn1 257268628 MMMVCRHYQGENSD-CQSZACIVSA-N 327.388 1.215 0 40 EDAB Cn1cc(C(=O)N2CCC(c3nccnc3-c3ncc[nH]3)CC2)cn1 257303925 SJHYWBBNULZUDQ-UHFFFAOYSA-N 337.387 1.620 0 40 EDAB CNc1cc(C)nc([C@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)c1 257334445 YFXGCWLFXWUUTO-OAHLLOKOSA-N 344.419 1.358 0 40 EDAB COc1cc(CCC(=O)N[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)on1 257251259 JQABYDVGQSUXEW-IIDMSEBBSA-N 346.383 1.703 0 40 EDAB Cc1cccnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O 257307665 SZSYIPBFQJIPDQ-JHNDHUHGSA-N 346.358 1.201 0 40 EDAB COc1ccc([C@H]2CN(C(C)=O)CCN2C(=O)c2ccnn2C)cc1 257237327 HFZJRULAZMJISB-QGZVFWFLSA-N 342.399 1.474 0 40 EDAB Cn1nc(C(=O)N2CC[C@@H](c3noc(-c4ccco4)n3)C2)ccc1=O 253473442 UXEPPEXVWQABMM-SNVBAGLBSA-N 341.327 1.053 0 40 EDAB CNc1cc([C@@H]2CCCN(C(=O)Cn3cccnc3=O)C2)ccn1 257206539 BDXHLWOZVHTMQU-CQSZACIVSA-N 327.388 1.086 0 40 EDAB O=C(Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1)[C@H]1CCOC1 262719128 HLKYZUFVXFGHDM-ZFWWWQNUSA-N 346.383 1.741 0 40 EDAB CC(C)c1nnc(CNC(=O)[C@H]2NCCOc3ccccc32)n1C 1615616625 YQMTXNKOFXKECK-HNNXBMFYSA-N 329.404 1.278 0 40 EDAB CC(C)NC(=O)CN(C[C@H](O)c1ccc(O)c(CO)c1)C(C)(C)C 1616037520 CGQWJJVLUJWCDA-INIZCTEOSA-N 338.448 1.543 0 40 EDAB Cc1ccccc1O[C@@H]1CCC[C@H](N2CCN(C(N)=O)CC2)[C@H]1O 585290153 UMBFEMIXBGFMPH-USXIJHARSA-N 333.432 1.352 0 40 EDAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)/C=C/CN2CCOCC2)C1 585291199 MZNBQOSRDIUSCB-UUOJUMCQSA-N 349.475 1.124 0 40 EDAB O=C(NC[C@@H]1OC[C@H]2CN(C(=O)c3ccnc(F)c3)CC[C@H]21)C1CC1 585108025 DYWNAGLNKMKICU-KFWWJZLASA-N 347.390 1.224 0 40 EDAB Cn1cccc1C(=O)N1Cc2ncn(C)c2C[C@@H]1COCC1CC1 585094784 MRQUPRPTEVLIDO-CQSZACIVSA-N 328.416 1.752 0 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DBQQTDVITZWDMM-LBPRGKRZSA-N 329.447 1.934 0 40 EDAB O=C([C@@H](O)C1CCOCC1)N1CCC(c2nnc3n2CCCC3)CC1 548151995 LULRVNZPVLKMMA-INIZCTEOSA-N 348.447 1.108 0 40 EDAB COCCc1noc(CN2CCN(c3nc(C)cs3)[C@H](C)C2)n1 106775833 ZOHVLROFSOQQJD-GFCCVEGCSA-N 337.449 1.734 0 40 EDAB CCC(CC)n1ccc(C(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)n1 583618975 NWVYMXPAWNNRAV-INIZCTEOSA-N 332.408 1.486 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2cc(I)cn2)C1 77963041 FJXOMVOWYDBBQE-AOOOYVTPSA-N 347.200 1.992 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1[C@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 12221171 JNJHGBCNQQJILI-IZQGTLBWSA-N 346.475 1.636 0 40 EDAB Cc1csc2nc(CN3CCN(c4ncccn4)CC3)cc(=O)n12 15731904 ZLRDLHGMJKVNDU-UHFFFAOYSA-N 342.428 1.177 0 40 EDAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1 19583508 AWMVCZBPHJDYTQ-CYBMUJFWSA-N 341.415 1.251 0 40 EDAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@H](O)[C@H](CO)C1 107286689 ITUWCHSZXCXRFP-JKOKRWQUSA-N 327.808 1.745 0 40 EDAB Cc1cc(C(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)c(C)o1 575615207 GFTKSQOLCNWNEJ-UHFFFAOYSA-N 343.449 1.145 0 40 EDAB COCCN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O 18257085 ISPIOTFBAPKNSU-CYBMUJFWSA-N 327.178 1.863 0 40 EDAB C[C@@H]1CCc2ccccc2N1C(=O)Cn1cnc2c(cnn2C)c1=O 10678949 YEWHINJXPIAVAJ-GFCCVEGCSA-N 337.383 1.498 0 40 EDAB Cc1nc(N2CCN(CCn3nccn3)CC2)cc(C(C)(C)C)n1 1888843559 WTPXVVVIJAPNEI-UHFFFAOYSA-N 329.452 1.496 0 40 EDAB CS(=O)(=O)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888843683 SGBLCQTZGUPGIW-NXEZZACHSA-N 335.351 1.428 0 40 EDAB O=C(C1CC1)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888863604 YYZLBHNMKGHGHB-NSHDSACASA-N 327.388 1.639 0 40 EDAB Cc1cc(C)nc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)n1 1888867087 MXYRHHLBAZRGAD-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB COc1ccc2sc(N3CCO[C@H](C(=O)NC4CC4)C3)nc2c1 1889111342 PKFQVOCANHDRJC-ZDUSSCGKSA-N 333.413 1.789 0 40 EDAB O=C(COc1ccccc1)NCc1ccnc(N2CCOCC2)c1 25290192 GOIMBUCBJXBZTR-UHFFFAOYSA-N 327.384 1.613 0 40 EDAB CC[C@@H]1C(=O)NCCN1C(=O)Cc1cccc(Br)c1 104135658 DRQRESLTGLSSPK-GFCCVEGCSA-N 325.206 1.729 0 40 EDAB Cc1noc(CNC(=O)c2ccc(OCC3CCOCC3)nc2)n1 253408901 YXGFTCBAWGIKJG-UHFFFAOYSA-N 332.360 1.508 0 40 EDAB O=C(N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1)C1CCOCC1 2055739393 UVPASFLAPJLKKA-ZDUSSCGKSA-N 347.415 1.311 0 40 EDAB O=C([C@@H]1CN(Cc2ccccn2)CCO1)N1CCC(F)(F)CC1 2086884520 FBFYNJFDMWZKQO-AWEZNQCLSA-N 325.359 1.540 0 40 EDAB O=C(Nc1nc(C2CC2)cs1)N1CC(CN2C(=O)COC2=O)C1 575617366 VVORWAOHKDJZJB-UHFFFAOYSA-N 336.373 1.463 0 40 EDAB O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1Cn1nccn1 618255624 UULMYIDOONEPIE-LLVKDONJSA-N 326.809 1.785 0 40 EDAB COc1ccc(CN2CCN(c3ncnc4ncccc34)CC2)cn1 2298065727 QFDNILDUTHGDSB-UHFFFAOYSA-N 336.399 1.751 0 40 EDAB CN[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 82348625 RHGMVBVBMAGAFH-ZDUSSCGKSA-N 337.445 1.186 0 40 EDAB O=C(COc1ccc(F)cc1)N1CCN(C[C@H](O)c2ccco2)CC1 85436756 QFOKBPZLDGFBJE-INIZCTEOSA-N 348.374 1.675 0 40 EDAB COc1ncccc1CNC(=O)c1cccnc1N1CCOCC1 30305056 BHHHCKJAGNZYBO-UHFFFAOYSA-N 328.372 1.252 0 40 EDAB Cc1ccc(Cn2cccc/c2=N\C(=O)C2=NN(C)C(=O)CC2)cc1 30652407 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Cc1cc(CN2CCN(C(=O)CN3CCCCCC3=O)CC2)on1 53397658 RTLLSVQQHJLBGH-UHFFFAOYSA-N 334.420 1.030 0 40 EDAB CCN(CC)Cc1ccccc1CNC(=O)N1CCC(C(N)=O)CC1 53493220 JOSAUTXNNUJNBV-UHFFFAOYSA-N 346.475 1.935 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NC(=O)c1ccn(-c2ccccc2Cl)n1 103948757 ZTTJFQPZFJAAEK-UHFFFAOYSA-N 344.762 1.908 0 40 EDAB CN(C)CCN[C@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)O 22791921 KFTHKNKZMJUJFQ-LLVKDONJSA-N 348.230 1.926 0 40 EDAB COCCNC(=O)CN1CCN(Cc2cccc(Cl)c2)CC1 23304033 MCRKVIIFYIVYOP-UHFFFAOYSA-N 325.840 1.220 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CC3)CC2)cc1 414438 LEEOCNAAPDOATE-UHFFFAOYSA-N 336.457 1.922 0 40 EDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(CCCc3cnn(C)c3)C2)C1=O 78899299 XVDHFCRMHXOQPP-RHSMWYFYSA-N 333.436 1.005 0 40 EDAB O=C(N=c1[nH]cc[nH]1)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 79478452 QOVPJAPVDXASQV-MRVPVSSYSA-N 346.782 1.006 0 40 EDAB Cc1noc([C@H](C)NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)n1 79822958 ZTONFOZQTKQOSS-UWVGGRQHSA-N 327.348 1.470 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)C[C@H](C)O1 3242964 SEESJDSBECMTHU-RYUDHWBXSA-N 345.351 1.586 0 40 EDAB Cc1cc(=O)n2nc(NCc3ccc(-n4ccnc4)nc3)sc2n1 24987534 HAECSJRVAZMTLN-UHFFFAOYSA-N 339.384 1.652 0 40 EDAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(C)n1N 3486543 AFHHNSKIWKRIKF-UHFFFAOYSA-N 327.797 1.693 0 40 EDAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCC[C@H](C)O)C1 84792492 APQCETHPGVIWAJ-SWLSCSKDSA-N 333.388 1.072 0 40 EDAB O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCN([C@H]2CCC[C@H]2O)CC1 107136949 RXNXMCKZVXFNLE-ZJPYXAASSA-N 332.419 1.987 0 40 EDAB O=C(NCc1nnc2n1CCCC2)[C@H]1CCCN1Cc1ccccc1 57174860 IYNGPCQTBGBJKS-MRXNPFEDSA-N 339.443 1.895 0 40 EDAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)CS2 26329753 QSHJWTBNYQYIIU-XHDPSFHLSA-N 332.385 1.249 0 40 EDAB CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2ccccc2CN1 35374866 BRENJESGGXEZKW-IRXDYDNUSA-N 331.460 1.758 0 40 EDAB COc1cccc(N2C[C@H](C(=O)NCCn3ccnc3)CC2=O)c1 44377057 MOJIJHRUTKJFJP-CYBMUJFWSA-N 328.372 1.061 0 40 EDAB COC(=O)c1cc(CNC(=O)c2cnc3[nH]nc(C)c3c2)oc1C 58099773 HHTZPNXVPZQKEK-UHFFFAOYSA-N 328.328 1.884 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(=O)c2ccccc2o1 58185831 YSSPSSALEUBPFH-AWEZNQCLSA-N 336.347 1.619 0 40 EDAB CC(=O)NCCNS(=O)(=O)c1cc(Br)ccc1F 58224861 RTCMBTDZGSQESN-UHFFFAOYSA-N 339.186 1.003 0 40 EDAB O=C(NCCc1ccccn1)NCc1ccnc(N2CCOCC2)c1 44947207 LLNPZKHFZDIHRF-UHFFFAOYSA-N 341.415 1.355 0 40 EDAB O=C(Cn1nc(-c2ccccc2)oc1=O)N(C[C@@H]1CCOC1)C1CC1 44941116 VGAWNZIZUKRWKD-ZDUSSCGKSA-N 343.383 1.531 0 40 EDAB C[C@H](NC(=O)NC[C@@H](C)N1CCOCC1)c1ccc2c(c1)OCCO2 44950995 MXFGCBBFDJGIRN-KGLIPLIRSA-N 349.431 1.539 0 40 EDAB COC(=O)CNC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 108523445 QKBLHUVHHBQCJH-OVWQWFNUSA-N 347.459 1.764 0 40 EDAB CCN1CCN(c2ccc(CNC(=O)N3CCSCC3)cn2)CC1 44969126 SAZFHFDUPJOJQI-UHFFFAOYSA-N 349.504 1.482 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)NOCc2ccccc2)c1 10318833 GAFTVHLOJMMPPD-UHFFFAOYSA-N 334.397 1.799 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 20490493 UUYAVPJNAGZOHF-HIFRSBDPSA-N 339.461 1.382 0 40 EDAB COCCOc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 2103267 JKOFHHVJGLVGQB-UHFFFAOYSA-N 332.356 1.509 0 40 EDAB biogenic Cc1ccc([C@H](CNC(=O)CN(C)c2cnccn2)N(C)C)cc1 58343849 LZUXHFPIBIRSJR-INIZCTEOSA-N 327.432 1.640 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)CNC(C)(C)c2cccc(C)c2)C1 97033514 ADCSBROILHULKU-QGZVFWFLSA-N 331.460 1.947 0 40 EDAB CCOC(=O)CC1(N(C)CC(=O)NC[C@@H]2CCOC2)CCCCC1 72296438 OJSZKCYJFUKZRX-HNNXBMFYSA-N 340.464 1.727 0 40 EDAB CCc1nc([C@@H]2CCCN2C(=O)COc2ccc(C(N)=O)cc2)no1 72299223 NZFVNFAUSHNWMA-ZDUSSCGKSA-N 344.371 1.473 0 40 EDAB CCN(CC)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1 95420578 PRRIYLIGAOXANY-UHFFFAOYSA-N 338.433 1.718 0 40 EDAB Cc1nc(C(=O)N2CCC3(CC2)CC(NS(C)(=O)=O)C3)cs1 108533616 XANASOXSSBOZJY-UHFFFAOYSA-N 343.474 1.386 0 40 EDAB CC(C)N1C[C@H](C(=O)N[C@H](C)c2nnc3n2CCCCC3)CC1=O 46353777 YBNWKWBKEHVPEE-CHWSQXEVSA-N 333.436 1.439 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2C(N)=O)cc1Cl 95461743 IOSYYYKVAPEDEJ-LLVKDONJSA-N 334.850 1.240 0 40 EDAB CCc1ccc([C@H](C)N2CCN(CC(=O)N3CCOCC3)CC2)o1 97102020 GPNBXYHDPBVXNE-HNNXBMFYSA-N 335.448 1.379 0 40 EDAB CN(C)S(=O)(=O)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 97107225 FPAIWANAAPRBEB-UHFFFAOYSA-N 342.436 1.645 0 40 EDAB O=C(NCc1ccc(F)cc1)[C@H]1CCN1S(=O)(=O)c1ccccc1 97134286 NMSUQKDPPXVVFF-MRXNPFEDSA-N 348.399 1.905 0 40 EDAB CC(C)CCN1CCN(C(=O)NCCc2nnc3ccccn23)CC1 48310854 YXBUHSFICKGCKT-UHFFFAOYSA-N 344.463 1.645 0 40 EDAB O=C(NCc1cn2cc(Cl)ccc2n1)NC[C@H](O)C(F)(F)F 48740626 YLMLCPBZLZHXTL-VIFPVBQESA-N 336.701 1.710 0 40 EDAB COc1ccc([C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 13007222 LOBPKWPSCSTZKE-DZGCQCFKSA-N 325.430 1.943 0 40 EDAB CC(C)Oc1ccc(CNC(=O)N[C@H](C)CN2CCOCC2)cn1 49230605 ICIXEPPYRRXMIT-CQSZACIVSA-N 336.436 1.389 0 40 EDAB NC(=O)[C@H]1CN(C(=O)[C@@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)CCO1 110658584 ZBCCTTSYOJABGW-LJCCNALRSA-N 342.439 1.748 0 40 EDAB O=c1nc2s/c(=C/c3ccccn3)c(=O)n2nc1-c1ccccc1 4486148 YKZBIYDETWVVCW-JLHYYAGUSA-N 334.360 1.121 0 40 EDAB CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(C)CC1 65541036 KKIPWFNRNUAUIQ-CRAIPNDOSA-N 343.471 1.760 0 40 EDAB NC(=O)c1cn(CC(=O)NCc2ccccc2)nc1-c1ccccc1 65565192 RCOUZMLDEXKQAE-UHFFFAOYSA-N 334.379 1.965 0 40 EDAB O=C(Cn1nnc2ccccc21)Nc1cccc(C(=O)NC2CC2)c1 14184088 MLBQPJIYYZTYHB-UHFFFAOYSA-N 335.367 1.962 0 40 EDAB COC(=O)C[C@@H](NC(=O)c1cc2c(s1)CC[C@H](C)C2)C(=O)OC 14246114 NLYZMZXYTUWIIM-GXSJLCMTSA-N 339.413 1.707 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)cc1 71796535 OPXYAHWAEMYXFQ-AWEZNQCLSA-N 333.413 1.764 0 40 EDAB Cn1ncc2c(N3CCN(C(=O)C4CCCCC4)CC3)ncnc21 14853504 HVRMPZDJWSVZSY-UHFFFAOYSA-N 328.420 1.592 0 40 EDAB O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc[nH]c1=O 66942048 BBOBCZAORAQAEC-MRXNPFEDSA-N 345.374 1.317 0 40 EDAB C[C@H](C(=O)NC1CCCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 15302865 HFBVWJDKTVUQKR-ZBFHGGJFSA-N 337.464 1.147 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)CCc1nc(C(C)C)no1)C2 71860274 WQPCMBSCAMBBPI-UHFFFAOYSA-N 344.419 1.932 0 40 EDAB CCCNC(=O)CN1C(=O)N[C@@](C)(CCc2ccc(OC)cc2)C1=O 7411396 SNQWBGNEPVNXJU-SFHVURJKSA-N 347.415 1.465 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2F)s1 71816935 VUSJBCRVWMJYKL-UHFFFAOYSA-N 328.390 1.725 0 40 EDAB O=C(NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(=O)[nH]c1 71850417 NOEUEPYNGXCGBJ-MRXNPFEDSA-N 328.368 1.863 0 40 EDAB Cc1nn(C)c(Cl)c1CNCCC(=O)N1C[C@@H](C)O[C@H](C)C1 71837096 PLFIMDBCZYZKFP-GHMZBOCLSA-N 328.844 1.497 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 71881068 VYGPAGLIMXWXND-HOCLYGCPSA-N 338.835 1.559 0 40 EDAB COc1ccc(CCNC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1OC 19937389 MOJRQQOBTASHMR-UHFFFAOYSA-N 345.399 1.305 0 40 EDAB Cc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(C2CCCC2)CN3)cc1 19938916 KJFBLSPJNFRGBI-UHFFFAOYSA-N 326.400 1.962 0 40 EDAB Cc1cccn2cc(CSc3n[nH]c(=O)n3C[C@H]3CCCO3)nc12 8012903 NXLOUNKSCKJPBA-CYBMUJFWSA-N 345.428 1.999 0 40 EDAB CCOC(=O)[C@H](CC)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 71924068 OFQIZFKCVQJGDK-HOTGVXAUSA-N 339.480 1.347 0 40 EDAB NC(=O)CC1CCN(C(=O)CSCC(=O)c2ccccc2)CC1 69391157 JENMNNNNPJXPNZ-UHFFFAOYSA-N 334.441 1.717 0 40 EDAB COC[C@H](C)NC(=O)NC[C@@H](O)COc1cccc2ccccc12 69416661 ZEGKNXBPLSHNIF-DZGCQCFKSA-N 332.400 1.914 0 40 EDAB CC(C)c1nnc2n1C[C@H](CNCC(=O)N(C)Cc1ccco1)CC2 69894528 NHRGIOZCALMNQE-AWEZNQCLSA-N 345.447 1.805 0 40 EDAB Cc1sc(=O)n(CCC(=O)NCCN2CCC[C@@H](C)C2)c1C 69983079 QZNMPLYUVOXQAQ-GFCCVEGCSA-N 325.478 1.765 0 40 EDAB O=C(NCCc1nnc2n1CCCCC2)N[C@H]1CCCCC[C@H]1CO 95410828 KUKRJMFFXAHTCS-GJZGRUSLSA-N 349.479 1.787 0 40 EDAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCn1ccnc1 95943116 MSMBPBSOTYUIHD-RDJZCZTQSA-N 327.432 1.703 0 40 EDAB Cc1ccoc1C(=O)N[C@H](CC(C)C)C(=O)N1CCC(CO)CC1 95976432 MCHKDHQJQLFVNS-OAHLLOKOSA-N 336.432 1.963 0 40 EDAB C[C@@H](CC(=O)N1CCCN(C)CC1)S(=O)(=O)c1ccc(F)cc1 95948553 KPSSMQVVZYAMTE-ZDUSSCGKSA-N 342.436 1.542 0 40 EDAB CCNc1ncc(C(=O)NCc2nc(-c3ccccn3)no2)s1 95972020 NABTURXBCOTCBM-UHFFFAOYSA-N 330.373 1.950 0 40 EDAB CCNS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 95959991 RIBLCXXVRIIAOH-ZJUUUORDSA-N 332.372 1.124 0 40 EDAB c1cnnc(N2CCC[C@H]2CNCc2ccccc2-n2cncn2)c1 95950586 MVNYHCVOYKXKDZ-INIZCTEOSA-N 335.415 1.816 0 40 EDAB Cn1cc(N2CCN(C(=O)c3ccc(N4CCCC4)nc3)CC2)cn1 74393780 XQSQKRJQMFSGAT-UHFFFAOYSA-N 340.431 1.378 0 40 EDAB O=c1[nH]nc(CN2CCN(C3c4ccccc4-c4ccccc43)CC2)[nH]1 89263003 CRQBRXYCSDDJHO-UHFFFAOYSA-N 347.422 1.986 0 40 EDAB CN(C)c1nc(CNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)cs1 75092117 XVLUVLHZWIVOPC-LLVKDONJSA-N 349.464 1.021 0 40 EDAB CC(=O)c1cccc(NC(=O)N[C@H](CC(N)=O)C2CCOCC2)c1 75110599 AUBNEQNLARZUDG-OAHLLOKOSA-N 333.388 1.681 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)N2CCC(CC(N)=O)CC2)cc1 75137135 SWUMIDUYTQGSOY-UHFFFAOYSA-N 346.431 1.022 0 40 EDAB C[C@H](c1cn(-c2ccccc2)nn1)N1CCC[C@H](CS(N)(=O)=O)C1 89913483 AHXBFJKYFGUGIU-KGLIPLIRSA-N 349.460 1.329 0 40 EDAB COc1ccc(CCNC(=O)[C@H](C)N2CCN(C)C[C@@H]2C)cc1OC 89938887 ZJHZJLKPHKREJS-GJZGRUSLSA-N 349.475 1.387 0 40 EDAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)c1 408976542 RKSANEZCJBGONN-DTDBQYNISA-N 327.336 1.085 0 40 EDAB COC(=O)c1ccc(C(F)(F)F)nc1N1CCC[C@@H](C(N)=O)C1 516440567 FFRAYIWDYITSCU-MRVPVSSYSA-N 331.294 1.589 0 40 EDAB Cc1ccc(S(=O)(=O)n2nnn(Cc3ccccc3)c2=O)cc1 3844396 CRCFJTQXSLRTQG-UHFFFAOYSA-N 330.369 1.034 0 40 EDAB biogenic Oc1nc2cccc(N3CCN(Cc4cnc5ccnn5c4)CC3)c2[nH]1 1553962527 LRFRJAVHXCFDPO-UHFFFAOYSA-N 349.398 1.633 0 40 EDAB Cc1nc(C(=O)N2CCOC[C@@]3(CC[C@H](CN(C)C)O3)C2)cs1 306136667 PZMHSZPHHXRCSC-CZUORRHYSA-N 339.461 1.403 0 40 EDAB CC(C)N(C[C@H]1CCN(C(=O)CN)C1)C(=O)OCc1ccccc1 79412476 GOBBSBMYSILXSX-INIZCTEOSA-N 333.432 1.841 0 40 EDAB CC(=O)N1CCN(C(=O)CN2C[C@H](C)C[C@H]2c2ccccc2F)CC1 75900791 DTLQXUASPNGXBG-KDOFPFPSSA-N 347.434 1.899 0 40 EDAB CC(C)NC(=O)CSc1nnc2c(=O)n(-c3ccccc3)ccn12 64593470 VQEYXHOTDKLMIY-UHFFFAOYSA-N 343.412 1.497 0 40 EDAB CCOC(=O)c1csc(=O)n1Cc1cnn(C)c1C(F)(F)F 128101000 GKARPYYQYBEWOJ-UHFFFAOYSA-N 335.307 1.887 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 72354335 DQLUETODJNFDHX-GFCCVEGCSA-N 333.417 1.754 0 40 EDAB COc1ccnc(CNS(=O)(=O)c2cc(C(=O)O)sc2C)n1 567592633 ADMRIDNZHYPFNO-UHFFFAOYSA-N 343.386 1.032 0 40 EDAB Cc1nn(C)c(C)c1CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 72242945 SOKSWABMWWIOSM-UHFFFAOYSA-N 348.428 1.400 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 72369560 LGAHRXPEFYSSHO-CYBMUJFWSA-N 348.428 1.157 0 40 EDAB COc1ccc(F)cc1C[C@](O)(C1CCOCC1)[C@@H]1CNCCO1 139575947 CPBHSHYQQLFAPW-ROUUACIJSA-N 339.407 1.523 0 40 EDAB in-vitro CCCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(CC)c1 226687581 NRLRPCLQVIMHMA-UHFFFAOYSA-N 329.418 1.879 0 40 EDAB Cc1n[nH]c(SCC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)n1 81474981 MCMVNNFVWPEPAA-AAEUAGOBSA-N 331.445 1.989 0 40 EDAB CNS(=O)(=O)CC(=O)N[C@H](Cc1ccccc1)c1cccs1 83089496 MJNHOKGXDBYXIB-CYBMUJFWSA-N 338.454 1.697 0 40 EDAB O=C(NCC[C@@H](O)c1cccc(Cl)c1)C(=O)Nc1cccnc1 225612659 YPDAVTKZIMKFPJ-CQSZACIVSA-N 333.775 1.913 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1nc2cc(C(F)(F)F)ccc2o1 195578128 FXXIWQXHXGVPFE-ONGXEEELSA-N 344.289 1.955 0 40 EDAB O=C([C@H]1OCCc2ccccc21)N1CC[C@@H](Oc2cccnn2)C1 225417442 RWSTUEMXXCEIAU-PBHICJAKSA-N 325.368 1.770 0 40 EDAB Cc1cc2c(cc1S(=O)(=O)NCCc1ccccc1)oc(=O)n2C 223332597 MWZAYABUWDEECY-UHFFFAOYSA-N 346.408 1.961 0 40 EDAB Cc1c(CN2CCCC3(C2)OCCO3)c(=O)n(-c2ccccc2)n1C 195563221 GTFYSHDQCGKLAK-UHFFFAOYSA-N 343.427 1.823 0 40 EDAB O=C(c1ccccn1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 96049166 DFAVFUKZJXVCHI-GOSISDBHSA-N 339.399 1.383 0 40 EDAB Cc1nnc(C[C@@H]2OC[C@H]3CN(C(=O)Cc4ccco4)CC[C@@H]23)o1 96218021 NJAFQAVDBIRHGM-YUELXQCFSA-N 331.372 1.620 0 40 EDAB O=C(CCCNC(=O)C1CC1)Nc1ccn(CCc2ccncc2)n1 96402658 XRAWNFUGZZEFOK-UHFFFAOYSA-N 341.415 1.766 0 40 EDAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)Cc3ccccn3)CC2)C1 96220647 ZTJCVQYRIOQLJX-INIZCTEOSA-N 345.443 1.546 0 40 EDAB O=C(CN1CCOCC1)NCCc1ccc(F)c(Br)c1 96487366 WWUMOIXIZCKGDW-UHFFFAOYSA-N 345.212 1.579 0 40 EDAB CC[C@@]1(c2ccccc2)C(=O)N(C)C(=O)N(Cc2ccon2)C1=O 96191866 KSNIGCRHVQTOSQ-QGZVFWFLSA-N 327.340 1.943 0 40 EDAB Cn1c(CN2CCC[C@@](O)(c3cnn[nH]3)C2)nc2cc(Cl)ccc21 583617407 HTDAMUGIANHPPC-INIZCTEOSA-N 346.822 1.828 0 40 EDAB O=C(c1ccco1)N1CCOC[C@@]2(C[C@@H](CN3CCCC3)CO2)C1 96052034 BNAFWLPEHYKZNV-MAUKXSAKSA-N 334.416 1.623 0 40 EDAB c1cncc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c1 96049150 AMIZKFRAJSQSQS-SFHVURJKSA-N 325.416 1.743 0 40 EDAB Cc1nsc(N2CCCN(C(=O)NCc3cccnc3)CC2)n1 96431339 UZQCUIZTEARLKH-UHFFFAOYSA-N 332.433 1.663 0 40 EDAB CN1C(=O)CCC[C@]12CCCN(S(=O)(=O)c1ccc(F)cc1)C2 96229751 NTJJXDYJFBOGEB-MRXNPFEDSA-N 340.420 1.991 0 40 EDAB O=C(O)[C@@H]1C[C@@H](N2CCCC2)CCN1C(=O)c1ccc2c(c1)OCO2 96069055 OTNGRQRBEBYJPM-KBPBESRZSA-N 346.383 1.569 0 40 EDAB CN([C@H]1Cc2ccccc2[C@H]1O)[C@@H]1CCN(CC(F)(F)F)C1=O 245305029 HRADIZDXACUHCR-HZSPNIEDSA-N 328.334 1.740 0 40 EDAB c1ccc(CN2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@H]32)nc1 248073593 GQGQZMXRLXLLMC-USXIJHARSA-N 326.400 1.930 0 40 EDAB O=C(c1ccnc(N2CCCC2)c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257208906 BOAMWCPKIUJVMP-YJBOKZPZSA-N 331.416 1.438 0 40 EDAB Cc1ccn(CCC(=O)NCc2cnc(C)nc2[C@H]2CCCN2C)n1 257220995 DNCYQRGXJVTNND-MRXNPFEDSA-N 342.447 1.763 0 40 EDAB C[C@@]1(c2ccccc2)CN(C(=O)C2CN([C@@H]3CCOC3)C2)CCO1 585132029 MXGWGCZEDFYTNL-MJGOQNOKSA-N 330.428 1.481 0 40 EDAB CNC(=O)c1ccc(Cn2c(C)nc(C(F)(F)F)cc2=O)cc1 585118614 VWPOKXPSDNETJR-UHFFFAOYSA-N 325.290 1.978 0 40 EDAB Cc1c(S(=O)(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cnn1C 585115315 VUKHCIKBDCPIBE-HUUCEWRRSA-N 346.456 1.485 0 40 EDAB COCc1c(C(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)noc1C 257343776 ZUJCHNBLYNYVCI-OAHLLOKOSA-N 346.387 1.750 0 40 EDAB CN(C)c1cc(C[C@@H]2COCCN(C(=O)c3cccnc3)C2)ncn1 257212692 CEOWVNMTSFALNG-AWEZNQCLSA-N 341.415 1.269 0 40 EDAB O=C(N[C@@H](Cc1ccncc1)C(=O)O)c1ccnc(NC2CCC2)c1 1601423275 COQNGTJDINUCOM-HNNXBMFYSA-N 340.383 1.867 0 40 EDAB CCOc1ccc(CCC2CCN(C(=O)[C@@H]3C[C@@H](O)CN3)CC2)cc1 252502867 UWAZDKKDGXQBRP-MJGOQNOKSA-N 346.471 1.979 0 40 EDAB CCOc1ccnc(N2CCN(Cc3cccc(C(=O)O)c3)CC2)n1 263500860 VKSVLWNQFNLXHL-UHFFFAOYSA-N 342.399 1.896 0 40 EDAB C[C@]1(NC(=O)Cn2ncc3ccccc3c2=O)CCCC[C@@H]1C(=O)O 262830192 QHRUGLYIJJKZPK-KDOFPFPSSA-N 343.383 1.546 0 40 EDAB COc1ccccc1C(C)(C)NC(=O)c1ccc(S(N)(=O)=O)nc1 281700680 VZOZAEHPUZMXJV-UHFFFAOYSA-N 349.412 1.403 0 40 EDAB O=C(Nc1cncs1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1615576276 TUAARSNPCPNRAH-SNVBAGLBSA-N 345.380 1.906 0 40 EDAB CCOC(=O)CCCNS(=O)(=O)CCC(C)(C)C(=O)OCC 1615615795 ZZWCMGUCIRNZNO-UHFFFAOYSA-N 337.438 1.229 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(-n2cncn2)ncn1 96025256 QRJSYPGMXHRFFE-BMIGLBTASA-N 338.327 1.224 0 40 EDAB CC(=O)N1CCC[C@H](NC(=O)c2cnc[nH]2)[C@@H]1Cc1cccc(F)c1 585281346 WKZGMEXIUTTWSI-RDJZCZTQSA-N 344.390 1.901 0 40 EDAB Cc1noc(CCC(=O)N2CC[C@](O)(COc3ccc(F)cc3)C2)n1 585277460 UWXKWTCDKRLQBJ-QGZVFWFLSA-N 349.362 1.492 0 40 EDAB Cc1ccccc1OC[C@@]1(O)COCCN(CC2(O)CCCC2)C1 585287352 NEOAIQWAKGDKPO-IBGZPJMESA-N 335.444 1.742 0 40 EDAB O=C(/C=C/c1cccs1)N1C[C@@H]2C[C@@H](CC(=O)N3CCC3)O[C@@H]2C1 585109295 HLTASQUHWCSPAV-QRAHCFSYSA-N 346.452 2.000 0 40 EDAB CC(C)(C)n1ncc2c(=O)[nH]c(N3CCN(CC(F)F)CC3)nc21 68900739 XDTWRUMJBCDEOW-UHFFFAOYSA-N 340.378 1.262 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cc(S(C)(=O)=O)ccc1C)C2 69485232 AWBCBJNCTXTSRP-UHFFFAOYSA-N 348.428 1.208 0 40 EDAB CCCS(=O)(=O)CC(=O)N1CCC[C@H](n2ccnc2CC)C1 69921365 SVOFEFAIZRTPGZ-ZDUSSCGKSA-N 327.450 1.434 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CCCCN1CC(=O)Nc1nncs1 71900576 LHCLKMXJPUXFHN-SNVBAGLBSA-N 325.438 1.246 0 40 EDAB CCOC(=O)CCCS(=O)(=O)N1CCC[C@H]1CN1CCCC1 71893103 YDWBJXKRSUJEDJ-AWEZNQCLSA-N 332.466 1.220 0 40 EDAB COc1ccc(C(C)=O)cc1CN1CCC[C@@H]1C(=O)N1CCOCC1 54445743 SFPFCPPXSWHUSW-QGZVFWFLSA-N 346.427 1.721 0 40 EDAB C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1cccc(S(N)(=O)=O)c1 40215869 PONBJPYJAUYQMU-QMMMGPOBSA-N 327.793 1.807 0 40 EDAB Cc1cccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)c1 40214801 GQEOMCCRTPDIPL-UHFFFAOYSA-N 326.399 1.443 0 40 EDAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)[C@@H]1CC(=O)N(CC2CC2)C1 56954515 VVAAFDGPGDBZSF-UKRRQHHQSA-N 332.404 1.259 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN(CC(=O)N[C@@H](C)c3ccco3)C2)no1 76047381 GBYZYIANMXKRTL-JSGCOSHPSA-N 347.419 1.355 0 40 EDAB CCCS(=O)(=O)N1CCN(c2cc(-n3cccc3)nc(C)n2)CC1 90607860 PHBJEDJUYGPKHC-UHFFFAOYSA-N 349.460 1.438 0 40 EDAB Cc1ccccc1NC(=O)C(=O)NC[C@H]1COc2ccccc2O1 5354543 VLDIMNOLRQFNHH-ZDUSSCGKSA-N 326.352 1.890 0 40 EDAB COc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1NC(C)=O 11615626 AYOUJTOEYZOHOI-UHFFFAOYSA-N 342.402 1.614 0 40 EDAB O=C(NCc1ccco1)C(=O)Nc1ccc(Cn2cncn2)cc1 13730306 SAKDVENZGWWSKF-UHFFFAOYSA-N 325.328 1.174 0 40 EDAB COC(=O)[C@]1(C)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19460529 QBGQCINBSKQEPH-CENBSLRLSA-N 336.775 1.147 0 40 EDAB COc1ccccc1[C@@H]1CCCN1CC(=O)N1CCC(C(N)=O)CC1 19659265 OVARLEOWLNPJMV-INIZCTEOSA-N 345.443 1.556 0 40 EDAB COCCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19740697 CYCQWMLFONPUTI-ZDUSSCGKSA-N 332.404 1.394 0 40 EDAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)c1 169711235 LUPTVSCTZKBZQL-WZTLGTBRSA-N 327.336 1.696 0 40 EDAB O=C(NC[C@@]1(O)CCN(c2ccccn2)C1)c1n[nH]c2c1CCCC2 1848356241 BKJICWQGHKWWEL-SFHVURJKSA-N 341.415 1.055 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 575605217 OMAXOCZQYBWRGW-ZDUSSCGKSA-N 334.351 1.833 0 40 EDAB CSc1ccc2nc(N3CC[C@]4(C3)NC(=O)NC4=O)sc2c1 1888865655 JVBQILBUURYLNH-CQSZACIVSA-N 334.426 1.807 0 40 EDAB Cc1oncc1CN1CCN(c2cc(-n3cccn3)ncn2)CC1 1889143337 KVEVLQRMYDGDRK-UHFFFAOYSA-N 325.376 1.281 0 40 EDAB O=S(=O)(NCCN1CCOCC1)c1ccc(Cl)c(Cl)c1 25247974 MWWCNFOZHCIOKP-UHFFFAOYSA-N 339.244 1.604 0 40 EDAB Cn1cccc(C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c1=O 245053610 PCUWYBWBPDRBEA-HNNXBMFYSA-N 347.440 1.498 0 40 EDAB CCn1nccc1C(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCC(C)CC1 2056225395 QOWKORXNHWOMKE-KDOFPFPSSA-N 330.432 1.766 0 40 EDAB Nn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1 5257234 TVURJZUNJBISOM-UHFFFAOYSA-N 332.414 1.846 0 40 EDAB O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccncc1 9844189 BOCMMMYHZCHJMK-UHFFFAOYSA-N 338.342 1.874 0 40 EDAB CCCNC(=O)Cn1nc2c(c1NC(=O)c1cnccn1)CSC2 23138820 FQOHMHRXSGWNTG-UHFFFAOYSA-N 346.416 1.198 0 40 EDAB CC(C)[C@H](Cn1cncn1)NC(=O)c1cc(-c2cccnc2)on1 575615832 IRSZNTPRZXIWPO-AWEZNQCLSA-N 326.360 1.783 0 40 EDAB O=C(CCSc1ccccc1)NC[C@H](O)Cn1ccccc1=O 206888735 GAQFZCFPIVXXMS-AWEZNQCLSA-N 332.425 1.508 0 40 EDAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)Nc1cc(O)n(-c2ccccc2)n1 585149534 DGGVKPAKPUQKIR-WFASDCNBSA-N 342.399 1.925 0 40 EDAB C[C@@H](NS(=O)(=O)N1CCOCC1)c1cccc(Br)c1 40071770 WLUZKFOMVZUMIL-SNVBAGLBSA-N 349.250 1.677 0 40 EDAB CC(C)N(CCNC(=O)Cn1ncc(=O)c2ccccc21)C(C)C 40474264 AISPADQLMSNUTP-UHFFFAOYSA-N 330.432 1.632 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cc2c1C 40485340 HTNLEJAIOWNDNY-UHFFFAOYSA-N 340.383 1.599 0 40 EDAB C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3O)cn2)C[C@H](C)O1 40535743 MZNAVFZLAUDPSL-STQMWFEESA-N 342.399 1.726 0 40 EDAB CC(=O)Nc1ccc(OCc2noc(C(=O)NCC3CC3)n2)cc1 20723314 JEYVGQPDQUNNIV-UHFFFAOYSA-N 330.344 1.747 0 40 EDAB CC(C)N1C(=O)C[C@H](NC(=O)Cc2cccc3cccnc23)C1=O 101473793 PJQZRZXCGLLLGX-AWEZNQCLSA-N 325.368 1.429 0 40 EDAB CCOc1ccc(CN(C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 32803271 VIXDJZVQDLWQCC-CQSZACIVSA-N 340.445 1.661 0 40 EDAB CC(C)C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)C(=O)N(C)C 32931683 HPABUZRKWAMRBU-CQSZACIVSA-N 334.416 1.967 0 40 EDAB CN(C)C(=O)c1cccc(C(=O)NCc2nnc3n2CCCCC3)c1 103066546 CXLCPVNYSWSDGR-UHFFFAOYSA-N 341.415 1.636 0 40 EDAB CC(=O)N1CCC(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 105075254 PSLAJKNEALMUQM-SFHVURJKSA-N 346.475 1.847 0 40 EDAB CCOC(=O)/C=c1/[nH]c(=O)/c(=C/c2ccc(C(C)(C)C)cc2)s1 105739596 RIJCYVLJJFHIFU-HYQBVQLESA-N 331.437 1.906 0 40 EDAB COC(=O)NCC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 55306476 NVFMVYKQJPDGJW-OAHLLOKOSA-N 342.399 1.781 0 40 EDAB COc1ccc(CNS(=O)(=O)NCc2cccs2)cc1OC 1387527 JWHMOWILSGGOTD-UHFFFAOYSA-N 342.442 1.890 0 40 EDAB COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC(F)(F)F)cc1 25055779 DVPSTQROXVCWMB-GFCCVEGCSA-N 346.305 1.449 0 40 EDAB C[C@H](NC(=O)NCCc1cnn(C)c1)c1ccc2c(c1)OCCO2 43482385 VRBKBVJAWQAJGM-LBPRGKRZSA-N 330.388 1.794 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2ccnn2C(C)C)CCN1C[C@H](C)O 106906788 NREATHHDWVZFSU-LSDHHAIUSA-N 337.468 1.180 0 40 EDAB COCCNC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 6321565 IFPXAXGTTNUPGO-UHFFFAOYSA-N 342.461 1.459 0 40 EDAB C[C@H]1CCCN(C[C@@H](C)NC(=O)N2CCN(c3ncccn3)CC2)C1 56785735 WYJWJFUGTQNBCR-JKSUJKDBSA-N 346.479 1.429 0 40 EDAB CSCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccncc1)C2 108526324 BYZQKNLCNBAWKE-UHFFFAOYSA-N 333.457 1.786 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3nccnc3N)C2)nc1 57201188 UUNGQHWUNWDLRL-GFCCVEGCSA-N 340.387 1.253 0 40 EDAB CS(=O)(=O)NC1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 44362881 VHGXYSOUZUFIHJ-MRXNPFEDSA-N 336.457 1.647 0 40 EDAB CCO[C@@H]1C[C@H](NC[C@@]2(N3CCOCC3)CCSC2)C1(C)C 108461784 PMELSFXWFFYALK-UXLLHSPISA-N 328.522 1.988 0 40 EDAB C[C@H](C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)n1cccn1 44669255 FCHIUDUHRRPLLP-RHSMWYFYSA-N 346.406 1.773 0 40 EDAB CS[C@@H](C)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 58282573 AXNISVVHDIPLTR-WFASDCNBSA-N 336.457 1.963 0 40 EDAB CC[C@H]1CN(C(=O)CSc2nnnn2-c2cccc(C)c2)CCO1 58208562 MDAIUXLOAPEYQE-AWEZNQCLSA-N 347.444 1.700 0 40 EDAB CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)O)ccc12 2118638 GFGJXDGWORIXPB-UHFFFAOYSA-N 333.340 1.715 0 40 EDAB biogenic CSc1nnnn1-c1cccc(NC(=O)NCCCNC(C)=O)c1 58096098 ODVIIKNJAFIQIL-UHFFFAOYSA-N 349.420 1.032 0 40 EDAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCCN1CCCC1=O 58304651 SKYMWVIILUWVIX-NSHDSACASA-N 326.343 1.861 0 40 EDAB CCC[C@@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 95422604 NRBCVHRNTQKRPM-OAHLLOKOSA-N 339.505 1.901 0 40 EDAB NC(=O)c1c(NC(=O)CSc2ncccn2)sc2c1CCC2 2484133 SHOLGJXGOWMEPU-UHFFFAOYSA-N 334.426 1.857 0 40 EDAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccccc2)n1CC 2446110 WQQOSCJICNVGNS-UHFFFAOYSA-N 348.428 1.736 0 40 EDAB O=C(NCc1cc(-c2ccccc2)no1)N[C@@H]1CCCCNC1=O 45668304 LEWIRLIBQJXLHX-CQSZACIVSA-N 328.372 1.810 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C)C2)c(OC)c1 46321575 BMWGETNYVKHLOR-IUODEOHRSA-N 332.400 1.846 0 40 EDAB O=C(NC1CC1)[C@@H]1C[C@]12CCN(S(=O)(=O)c1cccs1)C2 107234179 LGFWEPJHIYYIJR-FZMZJTMJSA-N 326.443 1.427 0 40 EDAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(C(F)(F)F)n1N 3287582 FBUVNHCCMCCLQI-HTQZYQBOSA-N 337.371 1.892 0 40 EDAB CS[C@H](C)CC(=O)N1CCC(C(=O)Nc2nncs2)CC1 179249320 ARRRPSNOHUMINH-SECBINFHSA-N 328.463 1.857 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1C 12735069 PYJWVQFFFHDYLP-KRWDZBQOSA-N 340.489 1.939 0 40 EDAB Cn1cc([C@@H]2C[C@H](c3ccc4c(c3)OCCO4)Nc3ncnn32)cn1 48354364 LJRIPOJMBMAYTA-KGLIPLIRSA-N 338.371 1.929 0 40 EDAB COC(=O)c1ccccc1OC(=O)c1nn(C)c(=O)c2ccccc12 13135465 BLLSUJNQENRLJV-UHFFFAOYSA-N 338.319 1.939 0 40 EDAB CC(C)c1ccc(NC(=O)C[C@H]2SC(NC(=N)N)=NC2=O)cc1 13637664 FKHADMCIZQXDEF-LLVKDONJSA-N 333.417 1.620 0 40 EDAB CCOC(=O)c1c(COC(=O)c2ccco2)nc2ccccc2[n+]1[O-] 4296096 XOSTYTFUGHWOJJ-UHFFFAOYSA-N 342.307 1.995 0 40 EDAB CC(C)(C)C(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13732642 YTRQGLJGKAQBPY-UHFFFAOYSA-N 325.372 1.771 0 40 EDAB OCCN1CCN(c2ncnc3ccc(Br)cc23)CC1 19792113 DZCHFVJAMAYGHB-UHFFFAOYSA-N 337.221 1.507 0 40 EDAB aggregator O=C(COCC(=O)N1CCc2ccccc2C1)Nc1cccnc1 13942250 MBAGPDJPYFAAFV-UHFFFAOYSA-N 325.368 1.622 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)CCc1ccc3c(c1)OCO3)CC2 65578028 PAWBZBTYXAQFTP-ZDUSSCGKSA-N 328.372 1.379 0 40 EDAB O=C(CNC(=O)NCc1ccc(Cl)cc1)NCCc1ccccn1 65620870 ZCXVQQVPGKGKER-UHFFFAOYSA-N 346.818 1.893 0 40 EDAB C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C[C@@H](C)O1 14198008 JORSRHOAUSQGEM-QFSBIZTOSA-N 335.379 1.659 0 40 EDAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1=COCCO1 14182670 XHIUGXYUUWOSBW-UHFFFAOYSA-N 349.774 1.813 0 40 EDAB C[C@H](C(=O)N1CCCCCC1)N1C(=O)N[C@H](Cc2ccccc2)C1=O 14246985 OPDDAKRYPWRBAH-GDBMZVCRSA-N 343.427 1.941 0 40 EDAB C[C@H](CC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 96407508 KDQPPRFVDUQVEV-DOMZBBRYSA-N 342.436 1.860 0 40 EDAB Cn1cc(N2CC[C@@H](NC3CCN(c4ccccn4)CC3)C2=O)cn1 90018770 PWKOTCNTJIZWPS-MRXNPFEDSA-N 340.431 1.179 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)CCOc2ccccc2Br)C1 71821074 KVNLCIDEKHWEDO-JTQLQIEISA-N 341.205 1.552 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCC(=O)Nc2ccc(F)cc2)C1 72074437 KLEUBLBIWWRBLW-TXEJJXNPSA-N 343.424 1.577 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c(=O)[nH]1 84072651 JWSCNKIJSXLYAS-AWEZNQCLSA-N 339.395 1.661 0 40 EDAB Cc1noc([C@H](C)N2CCN(Cc3nc4ncccc4[nH]3)CC2)n1 69386751 PXOMADKQLBNQAO-NSHDSACASA-N 327.392 1.528 0 40 EDAB Cc1cccc(CCNC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)c1 69351860 XBNJBMNDYDKKJD-UHFFFAOYSA-N 337.383 1.545 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1 8429599 JCNUCYUTLHTEQS-UHFFFAOYSA-N 333.365 1.718 0 40 EDAB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCC1 69594639 CSGAZKWHGYHZLX-AWEZNQCLSA-N 342.486 1.755 0 40 EDAB CCN(CCCNC(=O)[C@H]1CC(=O)N(C)C1)C(=O)OC(C)(C)C 69627080 XJAAMXPYCADIMX-LBPRGKRZSA-N 327.425 1.228 0 40 EDAB Cc1cc(CNC(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)on1 69656808 BQHVWWXSHIYEBZ-AWEZNQCLSA-N 346.406 1.949 0 40 EDAB CCn1cc(CN2CCCN(C(=O)[C@H](C)Cn3cccn3)CC2)cn1 69621905 CEPVLNMGUSOLCT-MRXNPFEDSA-N 344.463 1.470 0 40 EDAB O=C(CN(CCc1ccc(F)cc1)C1CC1)NCC(=O)N1CCCC1 72287008 WDYOTJRAIDLXRL-UHFFFAOYSA-N 347.434 1.571 0 40 EDAB O=C(c1ccn(-c2ccccc2)n1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269402 WLIFZGPINUNWPQ-MSOLQXFVSA-N 340.427 1.544 0 40 EDAB CCc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)nnn3C)no1 72299108 GPTDULMTLSJVRR-CYBMUJFWSA-N 326.360 1.891 0 40 EDAB CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cnn(CC(N)=O)c1 72281445 IGXQNFGIZLSPIP-UHFFFAOYSA-N 336.779 1.818 0 40 EDAB O=S(=O)(Cc1c(F)cccc1F)NCCOc1cccnc1 95452340 IFGGWNQTFZHZSZ-UHFFFAOYSA-N 328.340 1.858 0 40 EDAB C[C@H](C(=O)Nc1ccccc1)N1CCC(NS(C)(=O)=O)CC1 8853077 AHAHXZQSOBSABL-GFCCVEGCSA-N 325.434 1.027 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)c1ccc(-n3cccn3)nc1)CC2 97199005 UUDXVBNUFLZCCZ-CYBMUJFWSA-N 337.387 1.166 0 40 EDAB COc1ccc([C@@H](NC(=O)Cn2cn[nH]c2=O)c2ccccc2)cc1 97102828 DQDNOQIWZQGNSQ-KRWDZBQOSA-N 338.367 1.486 0 40 EDAB CCOC(=O)CC(C)(C)OC(=O)C1CCN(c2cnccn2)CC1 95942824 NMZVMYPCSCPGMQ-UHFFFAOYSA-N 335.404 1.968 0 40 EDAB CCc1cccc(CC)c1S(=O)(=O)NC[C@H]1CN(C)CCN1C 95960477 CFDKOHNYZKNPBT-INIZCTEOSA-N 339.505 1.336 0 40 EDAB CC(C)(C)OC(=O)[C@@H]1CC(C(=O)NCCO)=NN1c1ccccc1 95971216 FGPKKRGQGSMAFS-AWEZNQCLSA-N 333.388 1.072 0 40 EDAB c1cnn(C2CN(Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)c1 75133187 MYRLVAVPFRLRJE-UHFFFAOYSA-N 325.328 1.719 0 40 EDAB NC(=O)c1cc(C(=O)N2CCOC[C@@H]2C2CC2)nn1-c1ccccc1 89971913 RILGSDHVUICKTM-MRXNPFEDSA-N 340.383 1.222 0 40 EDAB C[C@@H](CNC(=O)N1CCS(=O)(=O)C[C@@H]1C)Sc1ccccc1 75805092 VJMICBPPWMBTHD-STQMWFEESA-N 342.486 1.996 0 40 EDAB CCn1ncc2c1CCC[C@@H]2N[C@H]1CCCN(c2cnn(C)c2)C1=O 76047133 XCZMCRUUVYIJKU-HOTGVXAUSA-N 342.447 1.799 0 40 EDAB O=C(N[C@H]1CCc2nc(C(=O)NC3CC3)sc2C1)c1ccoc1 306133008 LYPFMVUCHPHHPG-NSHDSACASA-N 331.397 1.916 0 40 EDAB CCC[C@H](C)NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 409412215 UEFLQCHESGDLBN-LBPRGKRZSA-N 340.445 1.960 0 40 EDAB O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cc2c(nc1O)CCCC2 532598903 MVOBGDZUWSQRTN-ZDUSSCGKSA-N 348.399 1.762 0 40 EDAB CCN(CC)CCNC(=O)[C@@H](C)Cn1cc(Br)cn1 32502492 MVFPMJRKVOGCOO-NSHDSACASA-N 331.258 1.740 0 40 EDAB O=C(Cc1noc(CCN2CCSC2=O)n1)Nc1ccccc1 78774408 JJUQBTOGYAWBLU-UHFFFAOYSA-N 332.385 1.962 0 40 EDAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(CC(N)=O)C3)n2)n1 72383056 XGKIGZXGDALJNY-CQSZACIVSA-N 340.431 1.897 0 40 EDAB O=C(c1ccc2nc[nH]c2n1)N1CCS(=O)(=O)C2(CCCCC2)C1 542649794 PJMSPKLRKBENSD-UHFFFAOYSA-N 348.428 1.531 0 40 EDAB CC(C)NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38832226 IGPCJMLJUMJFCM-CYBMUJFWSA-N 346.836 1.782 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H]1[C@H](O)c2ccccc2S(=O)(=O)N1C 35385161 VKYVYRAODNBZQT-GDBMZVCRSA-N 335.429 1.316 0 40 EDAB COC(=O)c1ccc2c(=O)n(N)c(SCc3ccccn3)nc2c1 71768717 ZWXBOQAVYDXQLJ-UHFFFAOYSA-N 342.380 1.584 0 40 EDAB CN1CCN(Cc2ccc(C(=O)NC[C@H]3CCCC[C@H]3O)cc2)CC1 73932761 KTZBHLTWYXTKKQ-RTBURBONSA-N 345.487 1.715 0 40 EDAB O=S(=O)(NCCN1CCN(c2ccc(F)cc2)CC1)C1CC1 38589181 FRSASHRVEFYBAF-UHFFFAOYSA-N 327.425 1.030 0 40 EDAB O=C(c1cc(I)ccc1O)N1CCC[C@H]1CO 189800073 KQLIKXDEDTWZPJ-VIFPVBQESA-N 347.152 1.594 0 40 EDAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(C(CO)CO)C2)n1 72384848 HOHQSFSPBCHZAB-CYBMUJFWSA-N 329.404 1.066 0 40 EDAB O=C(Cc1ccccc1Br)NC1CCS(=O)(=O)CC1 78520121 VJNYVLWDLKFWHO-UHFFFAOYSA-N 346.246 1.685 0 40 EDAB CC(C)NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O 45970255 VCYBYEXGBLXAAZ-UHFFFAOYSA-N 335.433 1.368 0 40 EDAB Cn1cccc1[C@@H](O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 75155115 FOACRAMEWALLIR-ZDUSSCGKSA-N 332.784 1.830 0 40 EDAB COc1ccc(CN(C(C)=O)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 222973540 MDVJHUHLMOYNTC-GUYCJALGSA-N 334.416 1.727 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCC[C@@H](Oc2cccnn2)C1 225458083 XDXINJCNSAKKNQ-OAHLLOKOSA-N 333.413 1.850 0 40 EDAB Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccs1 96181095 HOBRXRRRTPMWKR-WBMJQRKESA-N 346.456 1.934 0 40 EDAB O=C(N[C@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12)c1ccno1 96186896 YVYRCWIGCWNLGM-MISXGVKJSA-N 334.401 1.293 0 40 EDAB Cn1cc(CN2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)cn1 96048341 NDRBTEQPMOEPAY-DOTOQJQBSA-N 328.420 1.446 0 40 EDAB CC(C)Cn1cc(N2C[C@H](C(=O)NCc3cccnc3)CC2=O)cn1 96192179 WRDAMBJEKLDYHL-OAHLLOKOSA-N 341.415 1.603 0 40 EDAB Cc1cc(C(=O)N2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)on1 96215886 DJVOAIYPSSUVFW-CRAIPNDOSA-N 333.432 1.804 0 40 EDAB Cc1ccc(CN2CC[C@@H](NS(C)(=O)=O)[C@@H]2Cc2ccncc2)o1 96201034 IPUZTDYKSAZIRC-SJORKVTESA-N 349.456 1.718 0 40 EDAB O=C(NCCN1CCN(C[C@@H](O)c2cccc(F)c2)CC1)C1CCC1 96414899 RVEKHSVCSVACJX-GOSISDBHSA-N 349.450 1.393 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccco3)C2)no1 96108455 QKRSULPZTUAJLU-DYVFJYSZSA-N 331.372 1.454 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(C(=O)O)o1)c1nc(C(C)(C)C)no1 580711674 LCCIHQWAZCYADH-SSDOTTSWSA-N 343.361 1.698 0 40 EDAB CCn1cc(S(=O)(=O)NC2CCC3(CC2)CCN(C)CC3)cn1 583651728 RWQGLXNAUNPBRP-UHFFFAOYSA-N 340.493 1.836 0 40 EDAB COC(=O)C[C@H](c1cccnc1)c1c(O)nc2ccccn2c1=O 96115836 UYLODJJNJVDRKS-GFCCVEGCSA-N 325.324 1.490 0 40 EDAB biogenic C[C@@H]1CN=C(N2CCN(C(=O)Cc3n[nH]c4ccccc34)CC2)S1 96426955 IXKOCZYXPZYDNG-GFCCVEGCSA-N 343.456 1.741 0 40 EDAB Cn1cc(N2CC[C@]3(CCCN(C(=O)c4ccco4)C3)C2=O)cn1 96224646 OEEQYSMRNBPKAS-KRWDZBQOSA-N 328.372 1.672 0 40 EDAB O=C(N[C@H]1CCO[C@]2(CCN(c3ncccn3)C2)C1)c1ccncc1 96207719 ZXAVNBZMVDSTRH-MAUKXSAKSA-N 339.399 1.430 0 40 EDAB CCOC1CC2(CCN(C(=O)NC[C@H](c3cnn(C)c3)N(C)C)C2)C1 585082807 MVVCRWBFSONJDM-UPTPFMHGSA-N 349.479 1.623 0 40 EDAB CCn1nccc1/C=C/C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C 245289672 DJFCRFFWDDSKIX-YUFRHFIVSA-N 346.475 1.922 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)n1 257292560 QMCLDFOATGIAKC-LBPRGKRZSA-N 334.401 1.398 0 40 EDAB Cc1cc(C(=O)N2CC[C@](O)(CN3CCCC3)C2)c2c(C)noc2n1 257321975 WEDCNHJVHRHZCU-SFHVURJKSA-N 344.415 1.512 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1c1cnn(C)c1 585655655 VOJSPMRSKMYJCL-JSGCOSHPSA-N 334.807 1.971 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(C(=O)Cc2c(F)cccc2Cl)C1 257310751 UGJVHGIFHYHCPQ-NSHDSACASA-N 341.814 1.158 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(C(=O)[C@@H]2CCCOC2)CC1 257203795 ARQJYRXVEMHAIZ-OAHLLOKOSA-N 346.431 1.245 0 40 EDAB COCC(=O)N1CCC[C@H](c2cc(-c3cc(C)n[nH]3)nc(C)n2)C1 257234238 GSSAEAOMLBKDAT-ZDUSSCGKSA-N 329.404 1.836 0 40 EDAB CNC(=O)c1cccc([C@@H]2CNCCN2CC(=O)N2CCCCC2)c1 257200681 AEMDNNQJWYBDIP-KRWDZBQOSA-N 344.459 1.005 0 40 EDAB Cc1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccc(F)cn3)C2)on1 257223145 DWCDJHMRSLGNMQ-KRWDZBQOSA-N 348.378 1.621 0 40 EDAB COc1ccccc1CC(=O)N1CCOC[C@H]1c1cc(O)nc(C)n1 257216111 CTDDEPFYXGJNAE-HNNXBMFYSA-N 343.383 1.642 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)CCn2ccnc2)n1 257220855 DMLRIXMQTGDOAT-MRXNPFEDSA-N 342.403 1.063 0 40 EDAB CC(C)c1ncc(C(=O)N2CCOC[C@@H](Cc3cnccn3)C2)cn1 257217628 CZVKYTGWLSIYGG-AWEZNQCLSA-N 341.415 1.721 0 40 EDAB CN(C)C(=O)CN1CCC[C@@H]1c1ccnc(Nc2cnccn2)c1 257252235 JUANSSXHNNLKLZ-CQSZACIVSA-N 326.404 1.840 0 40 EDAB O=S(=O)(NCc1ccnc([C@@H]2CCCOC2)n1)c1cccs1 257232922 GMZCQXDPSABHKC-LLVKDONJSA-N 339.442 1.911 0 40 EDAB CN1CCN(c2ccncc2NC(=O)c2ccc(C(=O)O)cn2)CC1 619176621 HMDTYNJWGRAHIK-UHFFFAOYSA-N 341.371 1.179 0 40 EDAB CCNc1ncc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)cc1Cl 1615045915 IPSQONKNYSDXIT-UHFFFAOYSA-N 344.824 1.120 0 40 EDAB CN(C)c1cccc(C(=O)N2[C@H](C(=O)NC3CC3)C[C@@H]3OCC[C@@H]32)c1 1615546310 GANUMYXIXGCJTC-ULQDDVLXSA-N 343.427 1.403 0 40 EDAB CC[C@H]1CN(c2nnnn2Cc2ccn(C(C)C)n2)C[C@H](CC)O1 1616033050 ZEKZUIGXBUCKPI-GJZGRUSLSA-N 333.440 1.893 0 40 EDAB CC(C)OC(=O)[C@@]1(N2CCNCC2)C=CC(Br)=CC1 95936333 PWXPZGMJDVRPAI-CQSZACIVSA-N 329.238 1.821 0 40 EDAB O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)CCOC2 659126287 OIYOYGCNZMVTFC-INIZCTEOSA-N 333.384 1.855 0 40 EDAB CCc1ncnc(N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)c1F 650773701 DBICPVYSDUUKIM-SNVBAGLBSA-N 336.367 1.080 0 40 EDAB CC(=O)c1sc(NC(=S)N[C@@H]2CCS(=O)(=O)C2)nc1C 575425431 YZOHEVYLADQRLG-MRVPVSSYSA-N 333.460 1.128 0 40 EDAB Cc1nc(C(=O)NC[C@@H]2CO[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C)C[C@@H]32)cs1 575403279 GUNVWLICNQNMSO-PLNRXTSHSA-N 349.456 1.311 0 40 EDAB O=C(CCc1cc(O)no1)N1CCO[C@](CO)(Cc2ccccc2)C1 585277581 IXMIJCXHMXZFHL-GOSISDBHSA-N 346.383 1.145 0 40 EDAB O=C(C[C@H]1CN(c2ncccn2)Cc2cccn2C1)N1CCCO1 585099146 PUVOMBVJPYJDJD-CQSZACIVSA-N 327.388 1.469 0 40 EDAB Cc1cc(CN2CC3(C[C@@H](COCc4cccnc4)CN3C)C2)n[nH]1 585094013 ZMQJBVBUTRJZHI-QGZVFWFLSA-N 341.459 1.836 0 40 EDAB O=C(c1n[nH]cc1Cl)N1CC[C@@](O)(COc2cccc(F)c2)C1 585275616 DYEWBRBKKWDNRJ-HNNXBMFYSA-N 339.754 1.858 0 40 EDAB CCN1CCN(C2CCN(c3cc(C)nc4ncnn34)CC2)C1=O 69510249 MRUXZXPISHIUBB-UHFFFAOYSA-N 329.408 1.159 0 40 EDAB COC(=O)CN(CC(=O)OC(C)(C)C)C(=O)c1ccnc(Cl)c1 69876707 FHXLVVFOQXEMJV-UHFFFAOYSA-N 342.779 1.692 0 40 EDAB C[C@@H](C(=O)N1CCN(CCOc2ccccc2)CC1)n1cncn1 44576500 DKNXCLZGPTWONO-HNNXBMFYSA-N 329.404 1.062 0 40 EDAB Cc1cc(=O)n2ncnc2n1C[C@H](O)c1ccc(C(F)(F)F)cc1 51319800 CLDPFPVTUDZLGN-LBPRGKRZSA-N 338.289 1.952 0 40 EDAB COc1cc(CNC(=O)c2sccc2-n2cnnn2)ccc1C 56192494 FRXLKYXJWRICGH-UHFFFAOYSA-N 329.385 1.971 0 40 EDAB CCC(=O)N1CC[C@H](NCc2cnc(N3CCCC3)nc2)[C@H](C)C1 78897580 IBCKPAYESORTAC-ZBFHGGJFSA-N 331.464 1.813 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C(=O)CN3CCc4sccc4C3)CCO2)n1 76046673 OSJSZCXTIBTPFW-ZDUSSCGKSA-N 347.444 1.133 0 40 EDAB CCS(=O)(=O)CCN1CC[C@@H](N(C)Cc2noc(C(C)C)n2)C1 76047415 WBLIVKQZJLCHJT-CYBMUJFWSA-N 344.481 1.134 0 40 EDAB O=C1CC[C@@H](NC(=O)Nc2cnn(-c3ccccn3)c2)C2(CCC2)N1 548962069 LKXBHQLZOTYNSX-CYBMUJFWSA-N 340.387 1.590 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)NCCNC(C)=O)cc1OC 43140470 NECHLJGEXNEIMD-CQSZACIVSA-N 335.404 1.686 0 40 EDAB CN(C)CCn1ccc(C(=O)N2CCCC[C@H]2c2ccnn2C)n1 582310305 DXKSBHCVPZEDPT-INIZCTEOSA-N 330.436 1.546 0 40 EDAB CCn1cc(CN2CCO[C@@](CO)(Cc3ccc(F)cc3)C2)cn1 1615190535 GFNFUJRRXQSRNB-SFHVURJKSA-N 333.407 1.848 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)[C@H]2CCCN2C1=O)c1ccc(Cl)cc1 14372140 RSWWEJNNPGXVLZ-ZWNOBZJWSA-N 335.791 1.944 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 19345410 UIXYUDOBNOSQJZ-MRXNPFEDSA-N 327.384 1.808 0 40 EDAB CCCC(=O)NCCn1nc([C@@H]2CCN(C(C)=O)C2)c2cccnc21 19501751 SNRUHWOMMMYHNB-CQSZACIVSA-N 343.431 1.683 0 40 EDAB CO[C@H]1CCN(c2ccc(C(=O)N3CC(n4ccnn4)C3)cc2)C1 245180663 ZFNQOZZXDMRTLP-INIZCTEOSA-N 327.388 1.200 0 40 EDAB COC(=O)[C@H]([C@@H](C)O)N(C)C(=O)C[C@@H](C)Cc1cccc(F)c1 585089912 JTACOGZWZRQWSR-OZVIIMIRSA-N 325.380 1.775 0 40 EDAB CCN=c1nc(N2CCN(c3ncc(Cl)cn3)CC2)cc(C)[nH]1 1888843517 JWAJIIALNIOFAI-UHFFFAOYSA-N 333.827 1.409 0 40 EDAB COc1cnc(O[C@@H]2CCN(c3cc(=O)n4ccccc4n3)C2)nc1 2087035487 SOAKGKSBYPLXDJ-GFCCVEGCSA-N 339.355 1.151 0 40 EDAB CCc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)NCC(C)C)C2)cn1 1565545433 FBTOVLDQZPLKEE-BRWVUGGUSA-N 345.443 1.646 0 40 EDAB CC[C@H](C(=O)OC)n1cnc2c(nnn2-c2cccc(F)c2)c1=O 5056685 INDRARGWSZPGFM-LLVKDONJSA-N 331.307 1.240 0 40 EDAB NC(=O)c1ccc(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)cc1 13806569 OXYFAPXVFZIUIE-UHFFFAOYSA-N 348.362 1.648 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2ccccc2)CC1 2055746383 WGXVTFPQUFQODK-UHFFFAOYSA-N 327.432 1.613 0 40 EDAB O=S(=O)(NCCn1ccn2nccc12)c1ccc(Cl)s1 206746315 ONUUVFLWGYNNJK-UHFFFAOYSA-N 330.822 1.829 0 40 EDAB CN(C)c1nccc(CNS(=O)(=O)c2ccc(F)c(F)c2)n1 207981723 ISKGVYYXRCKFOS-UHFFFAOYSA-N 328.344 1.299 0 40 EDAB Cc1nnc2ccc(N3C[C@@H]4CN(c5ccc(F)cn5)C[C@@H]4C3)nn12 2298054328 KHQCNIJPSWFVBH-BETUJISGSA-N 339.378 1.539 0 40 EDAB O=C(C1CN(c2cnc3cc(Cl)ccc3n2)C1)N1CCOCC1 2298212746 ORRJKFPUPQOQLR-UHFFFAOYSA-N 332.791 1.578 0 40 EDAB CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)n[nH]1 21096363 HRAJVRKCBPAIRE-UHFFFAOYSA-N 339.373 1.786 0 40 EDAB COc1ccccc1C(=O)Nc1nc2[nH]c(C)c(Cl)c(=O)n2n1 101394037 IUYMHSTVSSDRHR-UHFFFAOYSA-N 333.735 1.640 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=O)[C@H]2COc3ccccc3C2)cc1 40525168 ZVPUJJLDUYCDNI-OAHLLOKOSA-N 345.420 1.958 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@@H]12 101005176 QGYZDBKPWFYVGA-AAEUAGOBSA-N 344.327 1.023 0 40 EDAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1(C)C 32242733 RAEBDELUFFUJKX-RDJZCZTQSA-N 333.476 1.648 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)NCCCOC[C@@H]1CCCO1 32407828 ALJNEWZIOLZXDV-AWEZNQCLSA-N 331.409 1.998 0 40 EDAB C[C@H](NC(=O)[C@@H](C)N1CC[C@H](C(N)=O)C1)c1cc2ccccc2o1 52961336 RZYGUKSKJSSEHR-SCRDCRAPSA-N 329.400 1.806 0 40 EDAB Cc1cc(NC(=O)CN2CCC(O)CC2)n(-c2ccc(F)cc2)n1 22060668 GKCGTTBYEGKNFQ-UHFFFAOYSA-N 332.379 1.715 0 40 EDAB CC[C@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1cccc(C)c1C 41605917 IKCFTHMCKQBUNA-NSHDSACASA-N 334.401 1.997 0 40 EDAB COC(=O)c1cccc2c1CCCN2C(=O)CCNC(=O)[C@@H]1C[C@H]1C 41796807 HBASBPOLIPAKBN-IUODEOHRSA-N 344.411 1.915 0 40 EDAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ncccc2O)cc1 22263929 BOTWSSSBCHVNLN-UHFFFAOYSA-N 335.385 1.267 0 40 EDAB CCc1ccccc1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 22912050 WODYGBHLXNVERR-UHFFFAOYSA-N 344.459 1.084 0 40 EDAB CCN1CCN(CCCCNC(=O)c2ccc(COC)cc2)CC1 42594102 QEJYSXGVJWZDBE-UHFFFAOYSA-N 333.476 1.981 0 40 EDAB O=C(CCS(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1 386132 KHGQUKJQUQGBHP-UHFFFAOYSA-N 333.409 1.862 0 40 EDAB Cc1ccccc1C(=O)Nc1ccccc1-c1nnn(CC(N)=O)n1 413979 DPAKUWYIEZQUJV-UHFFFAOYSA-N 336.355 1.386 0 40 EDAB COc1cc(C(=S)N2CCC(C(N)=O)CC2)cc(OC)c1OC 574725 CBLPBRHIWUWZFU-UHFFFAOYSA-N 338.429 1.585 0 40 EDAB CCc1ccc([C@H]2CCCN2S(=O)(=O)N[C@@H]2CCC(=O)NC2)o1 78880931 PNPSHIRZURKKBO-DGCLKSJQSA-N 341.433 1.092 0 40 EDAB Cn1nnnc1SCC(=O)Nc1ccccc1N1CCCCC1 1357405 YWZXFSMTYOQYKB-UHFFFAOYSA-N 332.433 1.931 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 78941274 KDDYCTBDMVVJJN-ZIAGYGMSSA-N 339.403 1.913 0 40 EDAB CCOc1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 24777180 MCQCPNHZGQOMHS-UHFFFAOYSA-N 326.418 1.193 0 40 EDAB CC(C)(C(=O)NCc1ccnn1CCc1ccccc1)S(C)(=O)=O 79070039 UNJWZGRCCLJCOO-UHFFFAOYSA-N 349.456 1.565 0 40 EDAB Cc1sc2ccccc2c1S(=O)(=O)N[C@@H](C(N)=O)C(C)C 79060449 YWRNFYYUQXGEAU-GFCCVEGCSA-N 326.443 1.998 0 40 EDAB C[C@@H](C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)n1cccn1 106566696 ZJLVBEUTEGSDFS-KGLIPLIRSA-N 329.404 1.381 0 40 EDAB O=C(O)C[C@H](SCC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O 3258202 SFILBOFYNKWDFV-UHUJKFBGSA-N 341.429 1.733 0 40 EDAB CCCNC(=O)NC(=O)CSc1nnnn1-c1cc(C)ccc1C 6098811 JSQFJWJRJABRPG-UHFFFAOYSA-N 348.432 1.607 0 40 EDAB CC[C@@](C)(CC(=O)O)NC(=O)Cn1cc(Br)ccc1=O 95424863 ZXWZAKDRZZXJFK-ZDUSSCGKSA-N 345.193 1.370 0 40 EDAB Cc1ccc2nc(CNC(=O)CNC(=O)NCc3ccco3)cn2c1 57268198 PJFJRNCGHUGKQP-UHFFFAOYSA-N 341.371 1.351 0 40 EDAB O=C([C@@H]1CCC[C@@]12CCN(Cc1ccncc1)C2)N1CCOCC1 108526286 HZNYWWJHQOOTIH-HKUYNNGSSA-N 329.444 1.933 0 40 EDAB Cc1ccc(CS(=O)(=O)N2CC[C@@H](N(C)C)C[C@H]2C(=O)O)cc1 107214455 UQMYYPXRBYIURI-CABCVRRESA-N 340.445 1.304 0 40 EDAB CCOC(=O)c1ccc(N2CCCN(C(=O)c3ccc[nH]3)CC2)nc1 58266109 OJUCLKZOBMKYSD-UHFFFAOYSA-N 342.399 1.939 0 40 EDAB Cc1cccc(NC(=O)CCNS(=O)(=O)c2cccc(F)c2)n1 58282193 ZTFVTEGNLWBXJE-UHFFFAOYSA-N 337.376 1.836 0 40 EDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 44938191 IYKNIQUYNNNMSM-QMMMGPOBSA-N 345.804 1.651 0 40 EDAB CCN1C[C@@H](C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)CC1=O 58306322 NDQAMSWEUAUEKY-AWEZNQCLSA-N 344.390 1.804 0 40 EDAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 20490495 UUYAVPJNAGZOHF-ZFWWWQNUSA-N 339.461 1.382 0 40 EDAB CC[C@H](NCc1cccc(C(=O)NC)c1)C(=O)Nc1cc(C)on1 28374937 DPBZBKQZIXUBSJ-AWEZNQCLSA-N 330.388 1.850 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCCO1 28326863 IOXJJSHFNKJZJH-DGCLKSJQSA-N 327.402 1.694 0 40 EDAB CN1CCN(CCNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 46455761 WXEGUWANLLVMTM-UHFFFAOYSA-N 347.850 1.707 0 40 EDAB C[C@H](NC(=O)NCC(C)(C)c1ccc2c(c1)OCO2)c1nncn1C 60529259 LZPXZSRPINKHTC-NSHDSACASA-N 345.403 1.882 0 40 EDAB Nc1cc(CCCNC(=O)NC[C@H]2CCOC2)nn1-c1ccccc1 47068030 XFOGDGPGSIRBEI-CQSZACIVSA-N 343.431 1.723 0 40 EDAB CNC(=O)[C@@H]1CN(Cc2cccc(C(N)=O)c2)c2ccccc2O1 47461579 DXKMDYWILLMVQA-INIZCTEOSA-N 325.368 1.299 0 40 EDAB Cc1cc(C)n2nc(C(=O)NC[C@H](CC(C)C)N3CCCC3)nc2n1 48131357 NWDZREFOXSIUSR-HNNXBMFYSA-N 344.463 1.981 0 40 EDAB Cn1c(C(=O)NCc2ccccn2)cc2c(=O)n3ccccc3nc21 37866999 XYZJCXRWEAEYSU-UHFFFAOYSA-N 333.351 1.511 0 40 EDAB Cc1cc(Br)ccc1CN1CCN(C(=O)CO)CC1 97047180 MVBWMBCZRUNBJW-UHFFFAOYSA-N 327.222 1.394 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cccnc1N1CCOCC1)C2 72278927 POTZLILIAXRYQN-AWEZNQCLSA-N 341.415 1.168 0 40 EDAB CCN1CCN(Cc2nc(CC(=O)NCc3ccccc3)no2)CC1 48310683 HNDGAJBRGFVEOA-UHFFFAOYSA-N 343.431 1.066 0 40 EDAB CCN(C(=O)COc1ccc(C)cc1S(=O)(=O)N(C)C)C1CC1 48362064 SLXVHAISIJFSLZ-UHFFFAOYSA-N 340.445 1.635 0 40 EDAB CC[C@H](C)[C@@H](O)CNC(=O)Nc1ccc(CS(C)(=O)=O)cc1 72289444 DOQGIMOOIVGDKT-FZMZJTMJSA-N 328.434 1.760 0 40 EDAB CN(C)[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 3437909 RZFSCKBXSXADPU-INIZCTEOSA-N 336.395 1.956 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1 3448880 PYIVPHJGLSBWMZ-LBPRGKRZSA-N 349.412 1.647 0 40 EDAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(F)cc1F 3508481 GBGBTHPAXHWVGH-UHFFFAOYSA-N 348.305 1.877 0 40 EDAB CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 20236593 KOHZCPNLTGZPGN-UHFFFAOYSA-N 347.396 1.190 0 40 EDAB CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 96004950 MBACLODDMFLTOQ-CYBMUJFWSA-N 330.837 1.836 0 40 EDAB O=C1c2ccccc2C(=O)N1CCc1csc(N2CCOCC2)n1 96023984 GJRKIDLZWBGHBD-UHFFFAOYSA-N 343.408 1.818 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)C(=O)Nc1cccc2nonc12 13726566 DNDMOMXKCYPAFJ-CYBMUJFWSA-N 326.312 1.011 0 40 EDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 65403897 SXEQSYKQNHFTEM-CYBMUJFWSA-N 349.431 1.125 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCc3c(C)noc3C)CC2)no1 65462803 CLVYUFHUTFVJFX-UHFFFAOYSA-N 333.392 1.615 0 40 EDAB COc1ccc2ccccc2c1CNCCNC(=O)c1nonc1N 4488479 XVZFWNZMRAGHTK-UHFFFAOYSA-N 341.371 1.333 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)NCCc1ccc2c(c1)OCCO2 65548746 JINQWMNXKUZORF-UHFFFAOYSA-N 336.388 1.641 0 40 EDAB Cc1nc2n(c1C)CCN([C@H](C)C(=O)Nc1sccc1C(N)=O)C2 65590225 GCSLAYCINRZMRO-LLVKDONJSA-N 347.444 1.503 0 40 EDAB Cc1cc(C)c(CNC(=O)N[C@H](c2nccn2C)C(C)C)c(=O)[nH]1 65514448 ALUCVSXAACOJMP-AWEZNQCLSA-N 331.420 1.922 0 40 EDAB CC(C)CN(C(=O)COc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 4504808 GRODPYWCTBSQNC-AWEZNQCLSA-N 343.420 1.876 0 40 EDAB CC(=O)N1CCCN(C[C@H](O)COCc2ccccc2Cl)CC1 14238479 ICDNFPRPZMVINC-INIZCTEOSA-N 340.851 1.772 0 40 EDAB CN1[C@@H](c2c(O)n(C)c(=O)n(C)c2=O)c2ccccc2CC1(C)C 20113110 XLOYQRFIVDDJAX-CQSZACIVSA-N 329.400 1.146 0 40 EDAB biogenic O=C(O)c1ccc2c(c1)OCC(=O)N2CC(=O)N1CCCCCC1 19757930 BGUJBSRPXIWABY-UHFFFAOYSA-N 332.356 1.513 0 40 EDAB CCNC(=O)Cn1ccc(NC(=O)c2cc(OC)c(C)c(OC)c2)n1 67243010 XVIFMVSVNZAEFN-UHFFFAOYSA-N 346.387 1.597 0 40 EDAB CNS(=O)(=O)CC(=O)Nc1cccc2c1CN(CCC(C)C)C2 83606716 QLUFJSREUWFDHE-UHFFFAOYSA-N 339.461 1.536 0 40 EDAB Cc1sc2ncn(NC(=S)NCCCN(C)C)c(=O)c2c1C 7784081 SVIURKSXLFGYHJ-UHFFFAOYSA-N 339.490 1.445 0 40 EDAB CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cccs2)cc1 67896935 ZYKPRCMVMGJTHP-CZUORRHYSA-N 346.408 1.891 0 40 EDAB biogenic,in-vitro Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1sccc1C(N)=O 7854415 RDOSVKQQRNJUGD-ZDUSSCGKSA-N 332.429 1.961 0 40 EDAB NC(=O)N1CCC[C@H](C(=O)NCCOc2ccc(F)cc2F)C1 71883357 ILKMQRYPYSKFLF-JTQLQIEISA-N 327.331 1.251 0 40 EDAB O=C(NCCCCn1ccnc1)N[C@@H]1CCN(c2ccccc2)C1=O 69081226 SACXGRRFDILVPO-MRXNPFEDSA-N 341.415 1.768 0 40 EDAB O=C(O)C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2F)CCO1 91293950 KBHOIGQFWXZFOO-QMMMGPOBSA-N 337.756 1.343 0 40 EDAB CCc1nnc(CN2CCN(CCOc3ccc(F)cc3)CC2)n1C 71864038 DFYOVTVEJSJDAQ-UHFFFAOYSA-N 347.438 1.713 0 40 EDAB COCCN1CCN(Cc2nnc(-c3ccc(OC)cc3)o2)C[C@H]1C 70006468 ZNZUCWSARLBIBC-CQSZACIVSA-N 346.431 1.898 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)c2ccncc2)C(N)=O)cc1 71826778 NSZATMXVMQBSMO-OAHLLOKOSA-N 327.384 1.554 0 40 EDAB NC(=O)C1CCN(C(=O)NCCc2ccc3ccccc3n2)CC1 71841275 MBDDEICIPXBOGI-UHFFFAOYSA-N 326.400 1.684 0 40 EDAB COc1ncccc1NC(=O)CS(=O)(=O)NC1CCC(C)CC1 69451857 WTYOPFQXFUMERU-UHFFFAOYSA-N 341.433 1.527 0 40 EDAB CC(C)(C)c1nnc2sc(SCCn3cccn3)nn2c1=O 69461438 LQPYCEIFTJNSOO-UHFFFAOYSA-N 336.446 1.832 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC(=O)OC)cc1 8475561 ATALQMNACFFVHF-UHFFFAOYSA-N 342.417 1.010 0 40 EDAB O=C1CCN(CC(=O)Nc2nc3c(s2)CCCCCC3)C(=O)N1 69654854 CLPZRJCTDKEPQM-UHFFFAOYSA-N 336.417 1.683 0 40 EDAB COCCN1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 69653245 BPXQYOPDYFCANB-UHFFFAOYSA-N 346.880 1.378 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1cn(C)nc1-c1ccncc1)C2 69652058 PZNIQPVTOJGYTI-UHFFFAOYSA-N 337.387 1.292 0 40 EDAB CCN1CCN(C2CCN(CC(=O)N[C@@H](C)c3ccco3)CC2)C1=O 69871124 ZIMXMIXAHHMKSJ-AWEZNQCLSA-N 348.447 1.679 0 40 EDAB O[C@H](COc1ccccc1)CN1CCN(CC2(O)CCCCC2)CC1 69820051 RRUDTMXFFJZTLC-SFHVURJKSA-N 348.487 1.739 0 40 EDAB Cc1cnn(CCC(=O)N2CCCN(Cc3nccn3C)CC2)c1 69975974 QOPNSRUFUJKWEA-UHFFFAOYSA-N 330.436 1.050 0 40 EDAB C[C@@H](O)C[C@H]1COCCN1C(=O)NCCC1Cc2ccccc2C1 97162028 OVOPFYCDRODISB-KDOFPFPSSA-N 332.444 1.973 0 40 EDAB C[C@@H](OCC1CC1)C(=O)N(C[C@H]1CN(C)CCO1)c1nccs1 95402146 HVEPWKCSINFKKU-TZMCWYRMSA-N 339.461 1.622 0 40 EDAB O=C([C@H]1CCCN(c2ccc3nnnn3n2)C1)N1CCCCCC1 95350145 OQQQOARGQRIKOL-ZDUSSCGKSA-N 329.408 1.138 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N(CCCO)Cc2cccnc2)C1 95428911 BDJGERBJEBPYAS-AWEZNQCLSA-N 327.450 1.243 0 40 EDAB CCOc1cncc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)n1 95425666 TYBUZUJJRRYTBZ-SNVBAGLBSA-N 332.326 1.770 0 40 EDAB O=C(Cc1cccnc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 95977004 PMYWNOAHOZNECM-UHFFFAOYSA-N 335.411 1.845 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1c2ccccc2C[C@H]1O 88756079 YNXPSPZDRCTBOE-LZWOXQAQSA-N 341.415 1.633 0 40 EDAB COc1nc(NCC2CCN(C(C)=O)CC2)ncc1Br 85683359 OZMMWOHURONPHZ-UHFFFAOYSA-N 343.225 1.918 0 40 EDAB Cc1ncc(CNCC2(C(N)=O)CCOCC2)n1-c1ccccc1 86250734 VBRXDICYNJILTQ-UHFFFAOYSA-N 328.416 1.552 0 40 EDAB CCOc1ccc(C(=O)NCCOC)cc1S(=O)(=O)NC(C)C 408700279 CJMCNAKCPGAONR-UHFFFAOYSA-N 344.433 1.148 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N1CCOC(C)(C)C1 75121596 XWQLOBAUFXNZNC-UHFFFAOYSA-N 342.399 1.320 0 40 EDAB CNC(=O)c1sc2nc(CC(=O)c3occc3C)[nH]c(=O)c2c1C 89701939 IFRPPFATZBQGQY-UHFFFAOYSA-N 345.380 1.979 0 40 EDAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC[C@H](c2ccn[nH]2)C1 89853230 YNBWHJPZWONZHL-AWEZNQCLSA-N 349.394 1.975 0 40 EDAB Cc1nc(CN2CCCN(CC[S@@](=O)c3ccccc3)CC2)no1 75603200 YOLNXWGDMHAFIH-DEOSSOPVSA-N 348.472 1.694 0 40 EDAB CCNC(=O)COc1ccc(CNC[C@H]2CCc3nncn3C2)cc1 75605569 KYQNYTLHQXSCHT-OAHLLOKOSA-N 343.431 1.145 0 40 EDAB O=C(O)[C@H](F)[C@H]1CCN(C(=O)c2cc(O)nc3cc(F)ccc23)C1 1548596608 BPEYLMVQGIBRFY-RMLUDKJBSA-N 336.294 1.964 0 40 EDAB Cc1cc(OCC(=O)NCCCN2CCN(C)CC2)ccc1Cl 61523948 MXXDMRMHOQWUSL-UHFFFAOYSA-N 339.867 1.781 0 40 EDAB CC(C)n1cnc([C@H]2CNC[C@@]23CCN(Cc2cccnc2)C3=O)c1 306133236 MGFNRAPIDQLVLY-APWZRJJASA-N 339.443 1.965 0 40 EDAB CCOCCCNC(=O)CN(c1ccccc1CC)S(C)(=O)=O 409135035 QVVDYQFFRSXQMF-UHFFFAOYSA-N 342.461 1.558 0 40 EDAB CC[C@@H](CO)NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707794 QQLLRWHBPXPSHW-KRWDZBQOSA-N 340.423 1.822 0 40 EDAB Cc1cnc2c(C(=O)NCC[C@@H]3COc4ccccc4O3)cnn2c1 65372027 CMXURBVFLCIONL-CYBMUJFWSA-N 338.367 1.998 0 40 EDAB CCc1cc(N)nc(SCCON2C(=O)c3ccccc3C2=O)n1 521395135 OHTGFRLCHBBMPO-UHFFFAOYSA-N 344.396 1.941 0 40 EDAB CNC(=O)[C@H]1CCCCN1CC(=O)NC1C2CC3CC(C2)CC1C3 533208313 NDXKOHCMGIRUHL-PKSOCPPESA-N 333.476 1.528 0 40 EDAB COc1cc(C)c(S(=O)(=O)Nc2cnn(C)c2C(=O)O)cc1C 538742745 PSRQYDLTAASYGU-UHFFFAOYSA-N 339.373 1.545 0 40 EDAB COC(=O)[C@H]1CC(=O)N(c2cccc(I)c2)C1 216873591 WQNROHCBNHLRNU-QMMMGPOBSA-N 345.136 1.817 0 40 EDAB COc1ccc2cc(C(=O)NC[C@]3(O)CCCNCC3)n(C)c2c1 72122224 OCAVJODRSBECCH-SFHVURJKSA-N 331.416 1.421 0 40 EDAB O=C(CSc1nccc2ccccc12)N[C@H]1CCS(=O)(=O)C1 30831850 XZNXDPKBCXFRAK-LBPRGKRZSA-N 336.438 1.630 0 40 EDAB COc1ccc(COCC(=O)N[C@H]2CCc3nc(C)cn3C2)cc1 72279031 MRZKEUCJFPBNOA-HNNXBMFYSA-N 329.400 1.848 0 40 EDAB C[C@H](NC(C)(C)CNC(=O)NCCN1CCOCC1)c1ccccc1 79101788 RVQJHFVZIKZZBN-INIZCTEOSA-N 348.491 1.747 0 40 EDAB C/C=C/C(=O)Nc1ccc(-n2nnc(C(=O)N3CCCC3)n2)cc1 71001462 LESZWYFUEWXKLU-GORDUTHDSA-N 326.360 1.413 0 40 EDAB COc1ccccc1C(=O)N1CCC[C@H](n2cc(C(=O)O)nn2)C1 565030901 URGNGEVAEZECKX-NSHDSACASA-N 330.344 1.462 0 40 EDAB CC(=O)N1CCc2nc([C@@H]3CCCN(c4ncccn4)C3)ncc2C1 72390870 IODQBLDGZIFEAF-CQSZACIVSA-N 338.415 1.555 0 40 EDAB CCc1nc(CNc2cc([C@@H]3CN(C(C)=O)CCO3)nc(C)n2)no1 72387915 RSOXYMPEAZVAMO-ZDUSSCGKSA-N 346.391 1.262 0 40 EDAB Cc1ncccc1CNC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 527969264 CYHUHRLRWPFYGX-CQSZACIVSA-N 345.424 1.760 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H](O)c2cccs2)cc1OC 74558893 FGIICLLWSUXMKT-LLVKDONJSA-N 343.426 1.777 0 40 EDAB C[C@@H](CCc1cccn1C)NS(=O)(=O)c1ccc(C(=O)O)nc1 567609622 TVRMORBWQBUPLF-NSHDSACASA-N 337.401 1.418 0 40 EDAB C[S@](=O)c1ccc(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 80146235 WCPBKAHCROZZRE-IQMFZBJNSA-N 335.473 1.708 0 40 EDAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(OCC(N)=O)c(Cl)c1 226687956 HRQKBNSZUFBEFD-JTQLQIEISA-N 346.836 1.767 0 40 EDAB COc1ccc(OCc2cn(CC(=O)Nc3ccn(C)n3)nn2)cc1 227168618 INTMRUOWSWVHQS-UHFFFAOYSA-N 342.359 1.238 0 40 EDAB Cc1ncn(CCNS(=O)(=O)c2cc(F)ccc2F)c(=O)c1C 75166405 TWFNGTCMVFQNSF-UHFFFAOYSA-N 343.355 1.117 0 40 EDAB C[C@H](c1ccco1)N(C)C(=O)c1ccc(CNS(C)(=O)=O)o1 84742135 HFRDLQUFQBFPOE-SNVBAGLBSA-N 326.374 1.755 0 40 EDAB CNS(=O)(=O)CCC[S@@](=O)Cc1ncc(Cl)cc1Cl 195579436 RSYOVCYYUYMAIZ-GOSISDBHSA-N 345.273 1.576 0 40 EDAB COc1ccc(-c2noc(=O)n2CCCc2cnn(C)c2)cc1OC 88500069 MEYDCQANKBFOKE-UHFFFAOYSA-N 344.371 1.887 0 40 EDAB Cc1nc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)oc1C 64138249 XTIVZXOAQZRKQS-UHFFFAOYSA-N 349.456 1.939 0 40 EDAB COc1ccc([C@@H](NC(=O)c2cc(OC)n(C)n2)C(=O)O)c(OC)c1 572901507 NBGYHDOQSVNEMC-CQSZACIVSA-N 349.343 1.002 0 40 EDAB CN(CC1(N(C)C)CCC1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 195572588 LLKOGLKPXCSODY-GFCCVEGCSA-N 336.402 1.749 0 40 EDAB COc1ccc(C(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1 224251826 JERHELXMYSTTJC-UHFFFAOYSA-N 327.388 1.489 0 40 EDAB CC(C)(C)[C@H]1CCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC1 225446506 LSUSXYVLKGAIMF-GJZGRUSLSA-N 344.521 1.828 0 40 EDAB O=S(=O)(CCN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)NCC1CCC1 195550681 ASZCMDJTCYVPGU-OAGGEKHMSA-N 342.505 1.643 0 40 EDAB O=C(NCc1cccnc1)[C@@]12CCO[C@@H]1CCN(c1ncccn1)C2 96038788 IAYDPXWIGXENSV-CRAIPNDOSA-N 339.399 1.173 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H]3OCC[C@@]3(c3nnc(C)o3)C2)cn1 96038810 ILTKCOTXYXAZRB-RHSMWYFYSA-N 328.372 1.654 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)Nc2nccs2)[C@H]1c1ccc(F)cc1 96181784 QEBDOJCFIIJKGG-CHWSQXEVSA-N 335.360 1.819 0 40 EDAB CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)Cc3cccs3)C2)O1 96063336 YYJCYROHAKEEQE-WMLDXEAASA-N 338.473 1.629 0 40 EDAB Cc1cc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2cccnc2)no1 96041731 HADNNZNFIMOGAU-GVDBMIGSSA-N 343.383 1.967 0 40 EDAB CCS(=O)(=O)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 96186808 DHLXDIXKAPTOEQ-PMPSAXMXSA-N 340.445 1.570 0 40 EDAB Cc1cccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)n1 96043388 PQFVHUTZWWZQPX-FGTMMUONSA-N 345.443 1.781 0 40 EDAB CCNC(=O)Cn1ccc(NC(=O)c2cccc(-n3cccn3)c2)n1 95397977 HQHMFDNKUMEITD-UHFFFAOYSA-N 338.371 1.457 0 40 EDAB CC(C)C(=O)N1CCC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 96225119 COGILNGUFNWXGC-GOSISDBHSA-N 344.415 1.491 0 40 EDAB CN1CCN(Cc2cn3c(n2)CN(Cc2ccsc2)CC3)CC1 96059421 OKWBGDWDMJJRKR-UHFFFAOYSA-N 331.489 1.708 0 40 EDAB CN(C)c1cc(C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)ccn1 96445388 LLAZKRXSPRDFON-WNSKOXEYSA-N 331.441 1.997 0 40 EDAB O=C(c1ccncc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CCOCC1 96041650 QMFFKEAWYBGWOF-RCCFBDPRSA-N 346.427 1.897 0 40 EDAB O=C(COC[C@@]12CCCO[C@H]1CCN(CC1CC1)C2)N1CCCC1 96039968 OWTXZAFORVWWQQ-HKUYNNGSSA-N 336.476 1.907 0 40 EDAB COCCN1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 96228784 OTQMDMPZBGJLSE-QGZVFWFLSA-N 338.473 1.949 0 40 EDAB O=C([C@@H](c1ccccc1)n1cnnn1)N1CCO[C@@H](c2ccccc2)C1 95475759 DWXVPFZDYBUWLU-QZTJIDSGSA-N 349.394 1.863 0 40 EDAB C[C@H]1CN(C2CCN(c3ccccc3S(C)(=O)=O)CC2)CCO1 91453782 SAFSGJWNMCXZOC-AWEZNQCLSA-N 338.473 1.780 0 40 EDAB CCc1ccc(CCNC(=O)C(=O)Nc2ccc(=O)n(CC)c2)cc1 96413532 RYKGYZUURIBIKL-UHFFFAOYSA-N 341.411 1.728 0 40 EDAB Cn1cccc1C(=O)N1CCOC[C@H]1c1nccc(NCC2CC2)n1 96220609 OSNDEKRIKOKYNU-HNNXBMFYSA-N 341.415 1.851 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 248017509 LGKNQHYKNZBIKC-OFQRWUPVSA-N 336.457 1.920 0 40 EDAB Cc1ccnc([C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)n1 257315267 VAOTUZBVXAKKBQ-HNNXBMFYSA-N 329.404 1.360 0 40 EDAB O=C(Cc1cccnc1)N1CCC(c2cc(O)n3nccc3n2)CC1 257246139 ISQFJVQPVYNCRA-UHFFFAOYSA-N 337.383 1.779 0 40 EDAB CC(C)(CCCO)CNS(=O)(=O)N=[S@](C)(=O)c1ccccc1 585115475 BJQNEYFZJDZVTF-OAQYLSRUSA-N 348.490 1.776 0 40 EDAB CC1(C)CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)[C@H]1[C@H]1CCCO1 585122109 NYGCIAIJDAGRES-OLZOCXBDSA-N 328.376 1.291 0 40 EDAB NC(=O)[C@H](F)C1CCN(CCC(=O)Nc2cccc(F)c2)CC1 585133189 AGDGRMCTXAAQST-OAHLLOKOSA-N 325.359 1.690 0 40 EDAB Cc1cc(N2CC[C@](O)(CNC(=O)c3sc(C)nc3C)C2)ncn1 257340845 ZHTDVNIZLRSJCP-INIZCTEOSA-N 347.444 1.230 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H](Cc2cnc(NC)cn2)CC1 257297621 RIDSBQLOAIIXLL-CYBMUJFWSA-N 326.466 1.903 0 40 EDAB CNc1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)n2cncn2)C1 257214932 CNZNMMBBONIKCM-CYBMUJFWSA-N 343.435 1.326 0 40 EDAB O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)N1CCSc2ccccc21 257343429 ZSZWQJKGLAAIBJ-WMZOPIPTSA-N 348.468 1.741 0 40 EDAB Cc1ccnn1CCC(=O)N[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257277023 NWDBPSGJCBONDH-BFYDXBDKSA-N 330.388 1.064 0 40 EDAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(Cc2cncs2)C1 257304541 SMCVCLRGENACQV-LLVKDONJSA-N 340.474 1.724 0 40 EDAB Cc1cc(C)nc([C@@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1 257293300 QOYGCCMIOAXVJJ-HNNXBMFYSA-N 346.431 1.396 0 40 EDAB Cc1cc(C(=O)NCc2nnc3ccc(N4CCCC4)nn23)c(C)o1 252497443 QHVFCVBITISLTM-UHFFFAOYSA-N 340.387 1.864 0 40 EDAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccnc1 36579958 VSPGSFSGLYHUES-QMTHXVAHSA-N 329.360 1.023 0 40 EDAB biogenic NCCCn1cc(C(=O)N(Cc2ccccc2)C2CCNCC2)nn1 1615045615 PCZSJPDYHXLWOW-UHFFFAOYSA-N 342.447 1.021 0 40 EDAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@@H](CO)C[C@H]1CO 1615587458 ZYZAYUVYQNNYKZ-WFASDCNBSA-N 349.818 1.649 0 40 EDAB CCCn1ccc2cc(NC(=O)[C@@H](O)C3(O)CCOCC3)ccc21 1615586413 MGISOVDOKPDIPQ-MRXNPFEDSA-N 332.400 1.892 0 40 EDAB Cc1nccn1-c1ccnc(C(=O)NC[C@H]2CCCCN2CCO)c1 1615627108 UMAPZAPKNPMHDM-MRXNPFEDSA-N 343.431 1.152 0 40 EDAB CO[C@@H]1COC[C@@H](CNC(=O)c2ccc(-c3ccc(F)cc3)o2)[C@@H]1O 585286371 WWXRKGNFPQQAML-JLZZUVOBSA-N 349.358 1.838 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@@H]2CCO[C@H]12 585109277 GBEMIYVWYCAXAS-BFYDXBDKSA-N 332.375 1.263 0 40 EDAB COC[C@@]1(CC(N)=O)CCCN1C(=O)c1cn2c(C)cccc2n1 585278140 LYKBVBLUEKYHFU-KRWDZBQOSA-N 330.388 1.139 0 40 EDAB CCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3COC[C@@H](O)[C@H]3O)ccc21 585283804 DVFAWZADSIFBAC-OLMNPRSZSA-N 346.427 1.376 0 40 EDAB CC(C)CCN1C[C@@H]2[C@H](C1)C(=O)NC21CCN(c2ncccn2)CC1 585106055 HYKZELXHDXOWSL-JKSUJKDBSA-N 343.475 1.540 0 40 EDAB Cc1cc(NC[C@H](CO)Cc2cnn(C)c2)nc(-c2ccccn2)n1 585141997 LCQMZDRUWYTFPE-OAHLLOKOSA-N 338.415 1.844 0 40 EDAB COc1cccc(CN2CCN(c3nccc(N(C)C)n3)CC2)c1 866126379 SVPVOKOSOOZLDE-UHFFFAOYSA-N 327.432 1.873 0 40 EDAB NC(=O)[C@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)CCO1 50859696 BDHYSGOIGJLUQW-GFCCVEGCSA-N 338.454 1.492 0 40 EDAB O=C(NCc1nnc2n1CCCC2)c1ccc(-c2ccco2)[nH]c1=O 75125446 KOEBCWIUPYULRH-UHFFFAOYSA-N 339.355 1.493 0 40 EDAB O=S(=O)(c1ccccc1Cl)N1CCC(N2CC[C@@H](O)C2)CC1 96099711 LGAJSUPMJONVOA-CYBMUJFWSA-N 344.864 1.560 0 40 EDAB O=C(NCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cccs1 101572091 WLJWEWANQUYKPU-IMIFBBOLSA-N 330.409 1.675 0 40 EDAB CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC(F)(F)CC2)C1 794293323 VKZFISLECOTXLL-LLVKDONJSA-N 334.363 1.880 0 40 EDAB CS(=O)(=O)c1snnc1C1CCN(Cc2ccoc2)CC1 12121311 OHVLQMAEJYKGJR-UHFFFAOYSA-N 327.431 1.914 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3C[C@H](C)O[C@H](C)C3)n2)o1 12182746 JSAORACYWMJIDC-TXEJJXNPSA-N 346.387 1.030 0 40 EDAB CS(=O)(=O)N1CC=C[C@@H]1C(=O)NCCCc1ccc(F)cc1 12193211 VLAUIHTZINRSAY-CQSZACIVSA-N 326.393 1.075 0 40 EDAB COc1ccc(NC(=O)C[C@@H]2CSc3nccc(=O)n32)cc1OC 12236252 PRWBVJAYCFULQC-LLVKDONJSA-N 347.396 1.936 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1 13672199 JAYAWNRXLFLGRO-HUUCEWRRSA-N 326.418 1.569 0 40 EDAB O=c1c2cnn([C@H]3CCS(=O)(=O)C3)c2ncn1Cc1ccccc1 16849804 XJYKWQHFBAGRDK-ZDUSSCGKSA-N 344.396 1.001 0 40 EDAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1C 18525984 IHTYYKNULISRPY-CHWSQXEVSA-N 328.368 1.968 0 40 EDAB COCCN1C[C@@H](c2cc(=O)[nH]c(N3CCCCCC3)n2)CC1=O 19593376 SXJXCGUIHDYNQO-ZDUSSCGKSA-N 334.420 1.113 0 40 EDAB Cc1nn(C)cc1NC(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1 19747212 JGZCWLHUCGJZGS-UHFFFAOYSA-N 330.363 1.507 0 40 EDAB O=C(CN1CCc2ccccc2C1=O)Nc1cccc2c1CCNC2=O 579685276 SYPZYNKURODMTA-UHFFFAOYSA-N 349.390 1.610 0 40 EDAB CC(C)COC[C@H](O)Cn1cnc2c(ncn2-c2ccccc2)c1=O 585086402 SYLOCWIRBAXQCS-OAHLLOKOSA-N 342.399 1.616 0 40 EDAB O=C(NC1CC1)[C@@H]1CN(Cc2ccc(Br)cc2)CCO1 1889098074 HKURZSZOHBLNBK-AWEZNQCLSA-N 339.233 1.929 0 40 EDAB COc1nc(OC)nc(N2CCC[C@@H](COc3ccnc(C)c3)C2)n1 1889125163 WLCRDVAURQRXNY-CYBMUJFWSA-N 345.403 1.888 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1ccnc(N2CCOCC2)c1 25759430 ZPUPBPDIBOXYDN-UHFFFAOYSA-N 329.404 1.199 0 40 EDAB O=C(CN1CCOC1=O)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238919179 SUXQAOIMIMCKQL-UONOGXRCSA-N 342.355 1.231 0 40 EDAB O=C(NC[C@](O)(c1ccco1)c1cccs1)C(=O)Nc1ccon1 238959478 YHRHMJLIKLQFBW-HNNXBMFYSA-N 347.352 1.320 0 40 EDAB CC(C)N1C[C@]2(CCN(C(=O)c3ccnn3C(C)C)C2)COCC1=O 2037985428 JPSBCCWTYSICNQ-GOSISDBHSA-N 348.447 1.564 0 40 EDAB Cc1cccc(NC(=O)CSc2ncc(C(N)=O)c(N)n2)c1C 1565520399 RBAWKBAFQWEYQE-UHFFFAOYSA-N 331.401 1.505 0 40 EDAB O=S(=O)(c1ccccc1Cl)N1CCCN([C@@H]2CCOC2)CC1 1565522600 VIEUFBWRFYAOKE-CYBMUJFWSA-N 344.864 1.825 0 40 EDAB O=C1NC(=O)c2cc(NC(=O)c3coc4ccccc4c3=O)ccc21 4263890 RUHPCUWNYYQFDX-UHFFFAOYSA-N 334.287 1.929 0 40 EDAB O=C(NCCCN1CCCC1=O)C(=O)NCc1ccc(Cl)cc1 10325767 BXZCTESVBCVJHT-UHFFFAOYSA-N 337.807 1.085 0 40 EDAB O=S(=O)(N[C@H]1CCc2onc(CN3CCCC3)c2C1)C1CC1 2055739269 PGPJYWKZAXJSEY-NSHDSACASA-N 325.434 1.210 0 40 EDAB Cc1cccc(CN[C@H]2CCc3onc(CN4CCOCC4)c3C2)n1 2055734691 LRDCFSBOMQRQAR-HNNXBMFYSA-N 342.443 1.857 0 40 EDAB O=C(N[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1)C1CCCCC1 2055731740 QUNMKACMDZKEMM-HUUCEWRRSA-N 347.459 1.795 0 40 EDAB CCC(=O)N1CCC[C@@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 2055771730 SOFJLUBMGAVKPD-CYBMUJFWSA-N 332.326 1.289 0 40 EDAB O=C(CCc1ccc[nH]1)N1C[C@@H]2OCCN(Cc3ccncc3)[C@@H]2C1 2055751029 ZTLRNIREECPVNI-MSOLQXFVSA-N 340.427 1.454 0 40 EDAB O=c1cccnn1CCCNS(=O)(=O)c1ccccc1Cl 23137496 KUQGLYJIAMOYNX-UHFFFAOYSA-N 327.793 1.265 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(c5ncccc5F)C[C@@H]4C3)ncnc21 2086865388 SGNCHWKZTYNOPJ-VXGBXAGGSA-N 339.378 1.470 0 40 EDAB O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)c1ccccn1 217979275 LTRXKKNLGNKXSW-CQSZACIVSA-N 325.324 1.532 0 40 EDAB O=S(=O)(NCCn1ccnc1-c1cnccn1)c1cccs1 575610250 UYYXTCXBCUTMKB-UHFFFAOYSA-N 335.414 1.380 0 40 EDAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@@H](Oc2ccncn2)C1 575610704 NNEXZBJNNCJBPQ-GFCCVEGCSA-N 339.804 1.972 0 40 EDAB C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1cccs1 75155936 JJNMEAHUYDRYON-INIZCTEOSA-N 348.380 1.439 0 40 EDAB COc1cc(F)c(S(=O)(=O)N(C)Cc2cc(C)on2)cc1OC 30337744 JJBQSJOUYGRDGH-UHFFFAOYSA-N 344.364 1.960 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Nc1ccc(N2CCSCC2)cc1C 51186761 MUEBPAAHRASONZ-LBPRGKRZSA-N 336.461 1.804 0 40 EDAB COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OC 40535601 XSBKEUAHFONGGT-NWDGAFQWSA-N 341.429 1.624 0 40 EDAB O=C(NC[C@@H](O)CN1CCCCC1)Nc1cccnc1N1CCCC1 40540875 YPRFBSNUAASIRH-OAHLLOKOSA-N 347.463 1.650 0 40 EDAB O=C(NC[C@H]1CCCO1)c1nc(COc2ccc3c(c2)OCO3)no1 20739797 OAFRFWSPKDZSEZ-LLVKDONJSA-N 347.327 1.286 0 40 EDAB C[C@@H](CNC(=O)CCCc1nc2ccccc2o1)N1CCOCC1 32650127 UKIJPTWXVBFGIK-AWEZNQCLSA-N 331.416 1.987 0 40 EDAB O=C(N[C@H]1CCOc2ccccc21)c1cnc2n(c1=O)CCS2 32688993 DYYDAOMPRHNAHZ-LBPRGKRZSA-N 329.381 1.603 0 40 EDAB CCOc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)ccc1O 102239394 ZNSRGECNVTXXII-IEPNIYFGSA-N 347.436 1.765 0 40 EDAB Cn1c(=O)c2ccc(C(=O)Nc3ccccc3F)nc2n(C)c1=O 32796391 UVMQDXZOPBELON-UHFFFAOYSA-N 328.303 1.024 0 40 EDAB CCn1c(SCC(=O)NCc2ccco2)nc2ncccc2c1=O 32876461 RSRDIIVJMOSRHN-UHFFFAOYSA-N 344.396 1.813 0 40 EDAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1c(Cl)nc2ccccn2c1=O 405240 URFOBTCOPUMYBH-LLVKDONJSA-N 348.746 1.149 0 40 EDAB Cc1ccc(O)c(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 41419878 OTMOAYGEVGPFNU-KRWDZBQOSA-N 336.457 1.638 0 40 EDAB O=C(N1CCOCC1)N1CCN(c2nc3ccccc3s2)CC1 22103477 GNOYELPEOINJJV-UHFFFAOYSA-N 332.429 1.871 0 40 EDAB Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)on2)cc1 41810928 DYRHVSXZHBTZEU-LBPRGKRZSA-N 334.397 1.815 0 40 EDAB CC(C)[C@@H](CNC(=O)Cc1noc2ccccc12)N1CCOCC1 41871198 NOHSNXBRQOIBOL-MRXNPFEDSA-N 331.416 1.843 0 40 EDAB COC(=O)COC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1C 22988189 MUMUKIXAEXOWFQ-UHFFFAOYSA-N 329.374 1.012 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC1=NN/C(=c2\ccc3c(c2)OC(=O)N=3)CS1 104980995 RNFPQQXIVQSOQT-QWXOSHMISA-N 344.440 1.703 0 40 EDAB CCn1nnc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)n1 557363 LGEAHBGUPMXCRC-UHFFFAOYSA-N 334.405 1.607 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1 9184035 CIBMNAIHHWZOJZ-UHFFFAOYSA-N 331.806 1.776 0 40 EDAB C/C(NC1CCN(Cc2ccccc2)CC1)=C1/C(=O)N=C(O)N=C1O 1294139 XTPHGJHATQVCKT-UHFFFAOYSA-N 342.399 1.925 0 40 EDAB CCn1cc(CN(C)C(=O)c2c(Br)cnn2C)cn1 2777825 UCADDQUHECFUPV-UHFFFAOYSA-N 326.198 1.671 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2C[C@@H](O)CN2CCC(C)CC2)n1 106666317 WYDBREHFTYNSRJ-MOPGFXCFSA-N 349.523 1.842 0 40 EDAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(N)=O 3373094 BDDRQVGHQYRRFY-SECBINFHSA-N 342.307 1.106 0 40 EDAB COc1ccc(CCNC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1 25707494 FTNFAFJUABFXBC-UHFFFAOYSA-N 327.340 1.806 0 40 EDAB C[C@@H](CNC(=O)N1CCc2ccccc2[C@H]1CO)Cn1cccn1 95417103 WGZYXAZDCFGHJL-WMLDXEAASA-N 328.416 1.821 0 40 EDAB COc1ccc(CNS(=O)(=O)c2cc(C(N)=O)sc2C)cc1 6679959 VELZDFONRPTQEU-UHFFFAOYSA-N 340.426 1.643 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 6933911 ZOQVALLMDCZWFS-GHMZBOCLSA-N 344.433 1.285 0 40 EDAB COC(=O)[C@H]1CCCN1CC(=O)NC1CCC(C(F)(F)F)CC1 95397230 PLCFWTSEHFMUPH-HTAVTVPLSA-N 336.354 1.861 0 40 EDAB CCOC(=O)N1CCN(C(=O)CNC2[C@@H](C)CCC[C@@H]2C)CC1 95462567 WDWODLOGGLULBE-KBPBESRZSA-N 325.453 1.701 0 40 EDAB Cc1cc(F)c(C(=O)NC[C@@H](Cc2cnn(C)c2)C(N)=O)cc1F 95450662 FADPSCBRNXRCNF-LLVKDONJSA-N 336.342 1.081 0 40 EDAB Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCC[C@H](C)C2)cn1C 58263938 UJOWXDRVLAWWHP-WCQYABFASA-N 342.465 1.092 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccccc1OC(F)F 58264135 QZSFBNXOPQNZNQ-NXEZZACHSA-N 348.371 1.563 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1 58213521 XCFPEBBPHBBEHZ-INIZCTEOSA-N 336.399 1.695 0 40 EDAB CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(C)CC1 58223790 HJQUNHVSUROKIL-GOSISDBHSA-N 343.471 1.760 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCN2CCCC[C@H]12 44942035 ARXGJHOUZVTSEY-LSDHHAIUSA-N 336.457 1.837 0 40 EDAB COc1ccc(OC)c(CNC(=O)N2CCC[C@H](NC(C)=O)C2)c1 44967851 HHUFOAJGSNVNSR-AWEZNQCLSA-N 335.404 1.514 0 40 EDAB CC[C@H]1CN(C(=O)c2c(C)nsc2NC)C[C@H]1N1CCOCC1 84735985 UASSTZJVCVTGDY-QWHCGFSZSA-N 338.477 1.676 0 40 EDAB CCN(CC)Cc1nc(C2(NC(=O)c3cc[nH]n3)CCCC2)no1 58357139 GUIUXTZDJBTUNM-UHFFFAOYSA-N 332.408 1.834 0 40 EDAB Cc1cc(NCCC(=O)N2CCc3sccc3C2)n2ncnc2n1 58310995 WEFPMBLKRBBUJD-UHFFFAOYSA-N 342.428 1.881 0 40 EDAB CC(C)NC(=O)CN1CCN(C(=O)c2cc(C(C)C)ccc2O)CC1 58331969 GCCNUCXSXJWWCR-UHFFFAOYSA-N 347.459 1.798 0 40 EDAB CCOc1ccc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(N)=O)n1 58324462 PVLOKJGALQNXJW-CYBMUJFWSA-N 347.802 1.960 0 40 EDAB CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1c(C)nn(CCO)c1C 84736275 VZZYXXZOYAQISN-MAUKXSAKSA-N 348.491 1.619 0 40 EDAB CC1=C(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)Cc2ccccc2O1 110624306 SCNLADDNPJZZGV-JKSUJKDBSA-N 328.412 1.875 0 40 EDAB CCCn1cnc2c1c(=O)n(Cc1csc(C(C)C)n1)c(=O)n2C 58441489 PGSFDOGRZUMZHU-UHFFFAOYSA-N 347.444 1.935 0 40 EDAB CCC[C@@H]1CN(C(=O)NCc2cn(-c3ccccc3)nn2)CCO1 95442758 KYZXJHYHLWHCRX-MRXNPFEDSA-N 329.404 1.978 0 40 EDAB COc1ccc(OC)c([C@@H](C)NC(=O)c2nn(C)cc2C(=O)O)c1 36615403 NXEQKTLZLZTTOK-SECBINFHSA-N 333.344 1.627 0 40 EDAB CN(CC(=O)N[C@H]1CCCCNC1=O)CC12CC3CC(CC(C3)C1)C2 46037189 JEQZDWNLFVTUNF-FAKMSMKASA-N 347.503 1.920 0 40 EDAB CCCS(=O)(=O)NC1CCN(c2cc(Cl)nc(N)n2)CC1 29589034 UZXXBWIXBBMTEL-UHFFFAOYSA-N 333.845 1.010 0 40 EDAB CCCCNC(=O)NCCNS(=O)(=O)c1cc(C)ccc1C 29723227 SZZPMDRTTNLSIR-UHFFFAOYSA-N 327.450 1.681 0 40 EDAB CNC(=O)NC(=O)CCN(Cc1cccs1)C[C@H]1CCCO1 29964163 PFOBCFQYXQUXRA-GFCCVEGCSA-N 325.434 1.575 0 40 EDAB O=C(Cc1csc(N2CCNC2=O)n1)Nc1ccc2[nH]ncc2c1 60614563 QWMLCKFJHFJECF-UHFFFAOYSA-N 342.384 1.730 0 40 EDAB CNC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 46885011 UODATOPTSWHIBJ-UHFFFAOYSA-N 348.428 1.189 0 40 EDAB NC(=O)c1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 95439012 RUJKBJXLCSEBDZ-MRXNPFEDSA-N 326.396 1.584 0 40 EDAB CN(CC(=O)NC(C)(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 12684473 YQXWDYWLQNYOIF-UHFFFAOYSA-N 348.472 1.820 0 40 EDAB OC[C@@]12O[C@H]3CC[C@@H]4[C@H]3[C@@H]1[C@@H]1[C@@H]3[C@@H]2[C@H]2CC[C@@H]5O[C@@](CO)([C@@H]3[C@H]52)[C@H]41 104288836 MNXFVUUNFHGREX-TWAXSKOFSA-N 330.424 1.050 0 40 EDAB COCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 12733185 KDWHGCAGYKGVTE-CYBMUJFWSA-N 340.445 1.483 0 40 EDAB CN(C)CCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 10111385 NXKHYDPPFOZKME-UHFFFAOYSA-N 347.868 1.174 0 40 EDAB CN(C)c1ccc(NC(=O)NC[C@@H](O)COc2cccc(F)c2)cn1 48326488 YZYQLLQCVGZKET-CQSZACIVSA-N 348.378 1.848 0 40 EDAB Cc1cc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)[nH]n1 48310313 KELHOAUECMPAOC-UHFFFAOYSA-N 340.305 1.897 0 40 EDAB COc1ccc(CCC(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 48375284 YZVLVTCRJWWSRL-UHFFFAOYSA-N 342.399 1.742 0 40 EDAB Cc1ccc(O)c(C(=O)c2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)c1 48301695 VMHSUKDYUUULLC-INIZCTEOSA-N 334.397 1.662 0 40 EDAB Cc1cc(NC(=O)CSc2n[nH]c(N)n2)n(-c2ccccc2)n1 3454159 WLHLSLZPNFYPKG-UHFFFAOYSA-N 329.389 1.612 0 40 EDAB COc1ccc(C(=O)[C@@H](C)OC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 3449222 UAZZLNOJLUEVRE-SNVBAGLBSA-N 348.355 1.140 0 40 EDAB COCCOc1ccc(CNS(=O)(=O)[C@H]2CCO[C@H]2C)cc1 97163920 JNANHTRYKGCOSS-WFASDCNBSA-N 329.418 1.309 0 40 EDAB COC(=O)[C@H](CCSC)NC(=O)CNC(=O)C1CCCCC1 3895785 QOLHXLXSJZBGMM-LBPRGKRZSA-N 330.450 1.094 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CC2 97199050 HENUKGQJEVIOLD-OLZOCXBDSA-N 345.447 1.063 0 40 EDAB CN1C(=O)c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2C1=O 13941648 VHPZHRLNLXVMAM-UHFFFAOYSA-N 328.353 1.894 0 40 EDAB COc1ccc(CNC(=O)NCC(=O)NC2CCCCC2)c(OC)c1 65610695 ALWCRSQXXMPWES-UHFFFAOYSA-N 349.431 1.952 0 40 EDAB COc1ccccc1[C@@H](CNC(=O)C1=NNC(=O)CC1)N1CCCC1 65608193 ULSXAZVWOLYOAC-OAHLLOKOSA-N 344.415 1.214 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)Cc2cn3ccsc3n2)C1 14361508 HXFNUWNTKCFGFN-TXEJJXNPSA-N 335.429 1.986 0 40 EDAB COC(=O)C1CCN(C[C@H](O)COc2ccc(C(C)=O)cc2)CC1 6626815 RSANJGFFWDVZTA-INIZCTEOSA-N 335.400 1.514 0 40 EDAB O=C(CNC(=O)Cc1ccccc1)NC[C@@H]1COc2ccccc2O1 9479150 MLXUDEOLFZWUJG-OAHLLOKOSA-N 340.379 1.302 0 40 EDAB COc1cc([C@H]2CC(=O)Nc3c2c(=O)nc2sccn32)ccc1O 4776706 LHKPRESXEXWEBY-SECBINFHSA-N 343.364 1.944 0 40 EDAB CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1ccc(=O)n(-c2ccccc2)n1 97233350 PXURASAKBWSIEY-PBHICJAKSA-N 341.411 1.856 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCN(c3ccccn3)CC2)C[C@@H](C)O1 6859872 FZWORDPGIZRVHX-BZUAXINKSA-N 332.448 1.228 0 40 EDAB O=C(c1ccc(NCc2n[nH]c(=O)[nH]2)cc1Cl)N1CCCCC1 97235783 PPUSQIWQIACHHY-UHFFFAOYSA-N 335.795 1.990 0 40 EDAB CN1N=C(C(=O)N2CCC(OCCc3ccccc3)CC2)CCC1=O 71835069 XDAWYBHCSWJOJW-UHFFFAOYSA-N 343.427 1.845 0 40 EDAB CCc1nccn1[C@H]1CCCN(C(=O)[C@](C)(NC(C)=O)C2CC2)C1 71870828 ARVMUITULZFBAB-MAUKXSAKSA-N 332.448 1.914 0 40 EDAB CO[C@@H](CNC(=O)N1CCNC(=O)[C@@H]1C)c1ccc(Cl)cc1 80439777 GRTNXQKNCMFWHF-GWCFXTLKSA-N 325.796 1.557 0 40 EDAB CC(=O)NCC(=O)NCC(=O)NCC1CCC(c2ccccc2)CC1 71888331 SEEACKKSRSECMF-UHFFFAOYSA-N 345.443 1.329 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc2c(c1)OCCO2 68373069 PCQBIVQUDNBJNZ-NEPJUHHUSA-N 335.404 1.560 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)[C@H](OC)c3ccccc3)CCO2)n1 83829744 QYCOLENYVRVOSO-DZGCQCFKSA-N 330.388 1.655 0 40 EDAB CC(C)(C)n1nnn(CN2CCCC[C@@H]2C2OCCO2)c1=S 71920464 OFTGAXOOMVLDMS-LLVKDONJSA-N 327.454 1.749 0 40 EDAB CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc3[nH]ncc3c2)c1C 71920386 KYCNTIDVDNGWMY-UHFFFAOYSA-N 340.387 1.651 0 40 EDAB Cc1cc(CN2CCN(C[C@@H](O)c3ccc4c(c3)OCO4)CC2)no1 69453958 MJOZJSGHEYQNKD-MRXNPFEDSA-N 345.399 1.563 0 40 EDAB CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1ccccn1 69452327 KQGNYJXSNHFUGI-UHFFFAOYSA-N 349.188 1.950 0 40 EDAB CCS(=O)(=O)N1CCN(C(=O)Nc2cc(F)ccc2C)CC1 69535211 VLQXHWVRQOUMPW-UHFFFAOYSA-N 329.397 1.633 0 40 EDAB CCOCCN1CCN(CC(=O)N2CCC(c3ccccc3)=N2)CC1 69656016 KXUSEFCHQMCXML-UHFFFAOYSA-N 344.459 1.277 0 40 EDAB CCS(=O)(=O)NCCNC(=O)N(Cc1ccccc1)C(C)C 69706933 VLHAQPOSEWMCRE-UHFFFAOYSA-N 327.450 1.546 0 40 EDAB CN(CC1CCCC1)C(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 69874123 BYDCOSFRSSBESO-UHFFFAOYSA-N 345.321 1.981 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)Cc3ccc(C)nc3)CC2)n1 69869961 MFFCNYVCRVAQAI-UHFFFAOYSA-N 341.415 1.388 0 40 EDAB O=C(CNc1ccc(-n2cc(CO)nn2)cc1)N1CCc2ccccc21 97373127 LKLGVKZAOWIRQI-UHFFFAOYSA-N 349.394 1.761 0 40 EDAB CC[S@@](=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(N)cc1 97375994 NVSZNJFQUYEXQB-YRVVQQKDSA-N 330.475 1.627 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc2ccccc2n1C(F)F 72629048 VIEIEXKDYRUCIC-SKDRFNHKSA-N 325.315 1.540 0 40 EDAB CCCN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 9834515 FFEHAEFPHJUYQH-AWEZNQCLSA-N 326.349 1.160 0 40 EDAB Cc1cc(C)n(CCN2CC[C@H](N(C)Cc3nnc(C)n3C)C2)n1 84104713 OFRBTVSSRWEPRB-INIZCTEOSA-N 331.468 1.143 0 40 EDAB Cc1cc(C)cc(OCCN(C)Cc2cn(C)c(=O)n(C)c2=O)c1 97032569 AUBSTBILLPLCHU-UHFFFAOYSA-N 331.416 1.212 0 40 EDAB COC(=O)N(C)Cc1nc2ccccc2n1CC(=O)N1CCOCC1 9002098 JZIXOBACRLXCQV-UHFFFAOYSA-N 346.387 1.093 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCCOc1ccc(Cl)cc1 72753506 HBYJGPJNVDFVPY-NSHDSACASA-N 331.821 1.660 0 40 EDAB CCN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)CC(C)(C)O 72284589 MNPMJTGPSUPURD-CYBMUJFWSA-N 333.432 1.843 0 40 EDAB C[C@@H]1OCC[C@@H]1C(=O)NCC(=O)Nc1ccccc1Br 95983248 MXPJDIUGVWQPRT-UWVGGRQHSA-N 341.205 1.929 0 40 EDAB C[C@@H]1OCCN(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)[C@H]1C 95969971 ZTMPPQPMVZOPBA-DZKIICNBSA-N 329.404 1.838 0 40 EDAB Cc1cc(NC(=O)NCCN2CCOCC2)n(-c2ccccc2)n1 89595776 HUNVIXCJYYJEBX-UHFFFAOYSA-N 329.404 1.634 0 40 EDAB C[C@@H](CNC(=O)NC[C@@H](c1ccsc1)N(C)C)N1CCOCC1 89900984 RZRODTKCLHWKAK-ZFWWWQNUSA-N 340.493 1.371 0 40 EDAB O=C(O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 408593060 OQMNQWCLXAAGLC-MDWZMJQESA-N 329.287 1.594 0 40 EDAB CC1(C)C[C@@H](NC(=O)[C@]23CNC[C@H]2CCO3)c2cc(N)ccc2O1 1548556454 LBZKSUTTYBCTQU-OMPKRAJASA-N 331.416 1.366 0 40 EDAB C[C@@H](O)[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(F)c(F)c1 126763600 ABRALETWAKNSGW-YGRLFVJLSA-N 326.343 1.457 0 40 EDAB NCC1(NS(=O)(=O)Cc2cccc3cccnc23)CCOCC1 528055973 KFLJRVCGOMPMHM-UHFFFAOYSA-N 335.429 1.162 0 40 EDAB Cc1nccn1C[C@@H]1CCCN(CC(=O)NCc2ccccn2)C1 36752978 VMKRUGLBPVEKDU-MRXNPFEDSA-N 327.432 1.615 0 40 EDAB CN1CC[N+](=C2[C-](Cl)[C@]3(OCCS3)C(F)(F)C2(F)F)CC1 73332730 MHRMAHXWWOASEL-LLVKDONJSA-N 346.777 1.900 0 40 EDAB O=C(CCc1ccccc1)N1CCN(c2ncnc3[nH]cnc23)CC1 36354266 AJRRGRLBLVUAJY-UHFFFAOYSA-N 336.399 1.634 0 40 EDAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(N(C)C)cc1 35999910 ZWIFWWZXULZSPI-RDGPPVDQSA-N 331.412 1.970 0 40 EDAB COc1ccc2nnc(CCCC(=O)NCc3ccccc3)n2n1 72404164 FKCLIONFIFNNOP-UHFFFAOYSA-N 325.372 1.772 0 40 EDAB O=C(N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)C1(O)CCC1 121346887 PTVWDZHWIQCJTH-UHFFFAOYSA-N 346.471 1.789 0 40 EDAB CNC(=O)[C@@]1(CCCc2cnccn2)CCCN(Cc2ncc[nH]2)C1 72367231 AZMAVODXOCVWKO-SFHVURJKSA-N 342.447 1.551 0 40 EDAB COc1cc(NC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)ncn1 182146027 KGJLLPQTDQHLGD-SECBINFHSA-N 333.314 1.491 0 40 EDAB COC(=O)N1CCc2ccccc2[C@@H]1C(=O)NCc1nc(C)no1 75165755 GJDRAJZXVLNAGO-CQSZACIVSA-N 330.344 1.360 0 40 EDAB COc1cc(N2CCCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 225906241 AJTNJJGQOYARRH-LLVKDONJSA-N 337.449 1.551 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2cnn3ccccc23)cc1 75162970 OZLMFAJMBUERFU-UHFFFAOYSA-N 345.380 1.599 0 40 EDAB Cn1cccc(C(=O)NC[C@](O)(c2ccco2)c2cccs2)c1=O 225585341 ZATZRJPROZWLMB-KRWDZBQOSA-N 344.392 1.706 0 40 EDAB Cn1ccnc1[C@@H]1CNCCN1Cc1cccnc1C(F)(F)F 530219757 QJCCDINKEUBWCN-LBPRGKRZSA-N 325.338 1.980 0 40 EDAB O=S(=O)(c1ccccc1)[C@H]1[C@H](CO)[C@@H]1c1ccc2c(c1)OCO2 225640642 PUJQSHGXDNSRJO-COXVUDFISA-N 332.377 1.964 0 40 EDAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NS(=O)(=O)[C@H](C)C(=O)N(C)C 193826057 RSMMXVPZJVXLKA-DGCLKSJQSA-N 342.461 1.998 0 40 EDAB CCN1CCNC(=O)C12CCN(C(=O)Nc1cccc(C)c1)CC2 96230158 MIESFBRLLYTQHX-UHFFFAOYSA-N 330.432 1.813 0 40 EDAB COC[C@H]1C(=O)NCC12CCN(Cc1ccc3c(c1)OCO3)CC2 96207462 AUOPSLWWKHKSKL-AWEZNQCLSA-N 332.400 1.390 0 40 EDAB O=C([C@@H]1CCOC1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96224346 NLPVFKUVNPCZAZ-APWZRJJASA-N 343.427 1.459 0 40 EDAB Cc1nc(CN2CCC[C@@]3(CCCN3S(C)(=O)=O)C2)cs1 96071557 WIXVVFFKDOEJKK-CQSZACIVSA-N 329.491 1.842 0 40 EDAB O=C(Cc1ccccn1)N1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 96161413 URGFHGCTQYHQKD-PXNSSMCTSA-N 335.407 1.756 0 40 EDAB CO[C@H]1C[C@@H](C(=O)NCc2cccnc2OC2CCCC2)N(C)C1 583617480 YTLZBUBZTAXBPF-HOTGVXAUSA-N 333.432 1.738 0 40 EDAB CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)CCc2cnn(C)c2C)C1 583621200 SLWGGUQIAAQZFA-IRXDYDNUSA-N 334.464 1.373 0 40 EDAB O=C(NCC1CC1)[C@@H]1CN(C(=O)c2ccoc2)CC12CCOCC2 96052146 HNAGZXACWLMUDP-HNNXBMFYSA-N 332.400 1.675 0 40 EDAB COC(=O)C[C@@H](c1c(O)n[nH]c1C)c1cc2ccccc2n(C)c1=O 95480520 XNEBPPKIQIJCRC-GFCCVEGCSA-N 341.367 1.971 0 40 EDAB CCN1C[C@@]2(CC1=O)CN(Cc1ccc(C)s1)CCN(C(C)=O)C2 97952777 LAIDIMIYWNNVBY-GOSISDBHSA-N 349.500 1.959 0 40 EDAB Cc1ccccc1-c1noc(=O)n1Cc1cc(=O)n2ccsc2n1 96402736 USMWSKNXMFWGMH-UHFFFAOYSA-N 340.364 1.929 0 40 EDAB COC(=O)c1ccc(F)c(Cn2c(-c3ccccn3)noc2=O)c1 96500571 JDSNHIHQDSAMIQ-UHFFFAOYSA-N 329.287 1.872 0 40 EDAB O=C(c1ncccn1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 96108861 GURGAXKXQBIRNC-DYVFJYSZSA-N 326.356 1.039 0 40 EDAB CC(=O)Nc1ccccc1CN1CCN([C@H](C)C(=O)NC(C)C)CC1 96490021 OBGLDTYIFLZPKO-OAHLLOKOSA-N 346.475 1.676 0 40 EDAB C1CC(CO[C@H]2CCOC3(C2)CN(C2CCOCC2)C3)CCO1 247922465 CQKHPOOMRLDVFP-KRWDZBQOSA-N 325.449 1.842 0 40 EDAB Cc1ncsc1CN1Cc2cccn2[C@H](COCC(=O)N(C)C)C1 247949611 BTOWRFKFLFGQPL-HNNXBMFYSA-N 348.472 1.915 0 40 EDAB Cc1ncc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)o1 585132845 ACBYPGZSFPQUBU-MRXNPFEDSA-N 329.312 1.679 0 40 EDAB O=C(NC[C@H]1CCCO1)C1=NO[C@]2(CCN(c3ccccc3)C2)C1 247485546 KQUPCLQCVABEMP-CRAIPNDOSA-N 329.400 1.707 0 40 EDAB C[C@@H](Sc1ncco1)C(=O)N1CCN(C(=O)c2ccco2)CC1 252487826 IBYFBJCAIXLBFV-LLVKDONJSA-N 335.385 1.733 0 40 EDAB Cc1cc2nc(C3CCN(CC(=O)N4CCOCC4)CC3)ccn2n1 257308098 TVKABDCGZMDQEA-UHFFFAOYSA-N 343.431 1.076 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccccc1F 257254789 KERVUUUVARIVDZ-KRWDZBQOSA-N 328.347 1.493 0 40 EDAB O=C(CN1CCCC1)N1CCOC[C@@H](Cc2ccc3[nH]ncc3c2)C1 257323000 WIJGUERXSXMANJ-INIZCTEOSA-N 342.443 1.676 0 40 EDAB CCS(=O)(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F 253493745 VDYAQEZHAQPQKF-AVGNSLFASA-N 330.381 1.181 0 40 EDAB Cc1cc(C)n(CC(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)n1 257251225 JPYKLNZXDIEQDG-IRXDYDNUSA-N 344.415 1.326 0 40 EDAB CNC(=O)c1cccc([C@H]2CN(Cc3cncs3)CCN2C)c1 257294275 QTIVRBSAJALHPL-MRXNPFEDSA-N 330.457 1.991 0 40 EDAB Nc1cccc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257223803 DYYDGFQVVLQGHC-LLVKDONJSA-N 325.415 1.488 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257291557 QHNBOHKJDHGFSL-ZDUSSCGKSA-N 343.387 1.306 0 40 EDAB COc1cc(CCC(=O)N2CCC[C@H](c3ccnc(O)n3)C2)on1 257339095 ZAEMDEFTAPAMJA-NSHDSACASA-N 332.360 1.518 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)CCn1ccnc1 257206919 BFLTXEKKEPFZRX-SFHVURJKSA-N 343.431 1.158 0 40 EDAB Cc1cc(CC2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)ccn1 257327422 XBGRREDGAFNDIU-INIZCTEOSA-N 336.457 1.606 0 40 EDAB CNc1cc([C@@H]2CCCN2C(=O)CCn2ccccc2=O)nc(C)n1 257306292 STRYSRZKMAIGOR-HNNXBMFYSA-N 341.415 1.742 0 40 EDAB COc1cc(OC)cc(C(=O)N2CC[C@](O)(CN3CCCC3)C2)c1 257221073 DNJPWNPBXVRCDP-SFHVURJKSA-N 334.416 1.377 0 40 EDAB CN1CC=C(CNC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 271985450 PAGGAZJAJZHDGT-MRXNPFEDSA-N 331.391 1.557 0 40 EDAB CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 585290956 YKQARGOJNSSYPC-FOUWAKMZSA-N 332.448 1.270 0 40 EDAB COCCN1CC[C@]2(CN(Cc3cc(C)[nH]n3)CC(F)(F)C2)C1=O 585093475 YRWQTCUIYCWDID-HNNXBMFYSA-N 342.390 1.424 0 40 EDAB CO[C@](C)(CS(=O)(=O)N[C@H](C)[C@@H](CO)SC)c1ccccc1 585142003 LMGYFNYQSRTIRQ-BPLDGKMQSA-N 347.502 1.580 0 40 EDAB CC(C)Oc1cncc(S(=O)(=O)NCC[C@]2(O)CCCOC2)c1 585123421 UJDNMHXLBUBLAB-OAHLLOKOSA-N 344.433 1.079 0 40 EDAB CCCn1ccnc1CN1C[C@H](c2ccc(F)cc2)[C@@H](O)[C@H]1CO 585292677 NBTKWTRQMZCNQP-JFIYKMOQSA-N 333.407 1.753 0 40 EDAB O=C1NCCN1CCN[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585290136 SYWJDVGTUHBEEK-ARFHVFGLSA-N 337.395 1.101 0 40 EDAB COC[C@@H]1CN(C)C2(C1)CN(S(=O)(=O)c1ccc(OC)cc1)C2 585093797 GFNXEFLLDKHAEQ-ZDUSSCGKSA-N 340.445 1.036 0 40 EDAB COc1ccc(C[C@@]2(C)NC(=O)N(CC(=O)N(C)C3CC3)C2=O)cc1 69775688 WWPRDYHQBQXMOF-GOSISDBHSA-N 345.399 1.169 0 40 EDAB CCc1nc(CNC(=O)N[C@@H]2CCCN(C(=O)OC)C2)cs1 72271522 NWRIZHNOIBDGEA-SNVBAGLBSA-N 326.422 1.736 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1O 49447722 VGROREPSZFCWFG-QMMMGPOBSA-N 348.218 1.319 0 40 EDAB CC(=O)N1CCN([C@@H]2CN(CCOc3ccc(C)cc3)C[C@@H]2C)CC1 78896048 YJNLNMAXODMVSJ-FXAWDEMLSA-N 345.487 1.858 0 40 EDAB Cn1cc(C[C@@H]2CCN(C(=O)NCc3nnc4ccccn34)C2)cn1 76093925 KPOUQOZQLLDJAE-ZDUSSCGKSA-N 339.403 1.237 0 40 EDAB Cc1c(C(=O)N[C@H](C)c2ccccn2)cnn1[C@H]1CCS(=O)(=O)C1 95950125 DIHNXGKIVMNPAT-YPMHNXCESA-N 348.428 1.437 0 40 EDAB CCNc1ncc(S(=O)(=O)N2CCO[C@@H](OC)C2)cc1Cl 1615046101 WWYCOCKTKUXDGU-LLVKDONJSA-N 335.813 1.160 0 40 EDAB C[C@H]1CN(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)C[C@H](C)O1 5253921 CISXOWNNDCDLKR-QWRGUYRKSA-N 335.791 1.686 0 40 EDAB O=C([C@@H]1CCCO1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1 5937545 PICCBTQBQGSHPY-INIZCTEOSA-N 328.412 1.568 0 40 EDAB O=C(CCn1cncn1)N[C@H]1CC2(CCOCC2)Oc2ccccc21 12086964 JMBVBEZRDLMSNM-HNNXBMFYSA-N 342.399 1.857 0 40 EDAB Cc1ccc(N2CCn3c2nnc(C(=O)NCC(C)C)c3=O)cc1 12233653 OMYBRQILRWQZSC-UHFFFAOYSA-N 327.388 1.484 0 40 EDAB Cc1ccnc2nc(C(=O)OCc3nc(-c4cccs4)no3)nn12 12798646 LPTPYENSNJYRKT-UHFFFAOYSA-N 342.340 1.901 0 40 EDAB Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1C 13582072 RMFSTPDEQRVBLC-UHFFFAOYSA-N 345.380 1.634 0 40 EDAB CCn1ncc(S(=O)(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)c1C 17071184 XNQCMCNJXDCYEC-SNVBAGLBSA-N 340.327 1.233 0 40 EDAB Cc1nccn1CCC(=O)N1CCO[C@@H](C(=O)Nc2ccccc2)C1 19747621 ZYEPPQVYAVZEDV-MRXNPFEDSA-N 342.399 1.448 0 40 EDAB Cc1ccc2nc(SCC(=O)NC3CCCCC3)nc(=O)n2c1 16689462 NZEFERHOWYNVRI-UHFFFAOYSA-N 332.429 1.939 0 40 EDAB O=S(=O)(NCCCOC[C@@H]1CCCO1)c1cc(F)cc(F)c1 21974856 MNPMUEWUAOCEBV-ZDUSSCGKSA-N 335.372 1.829 0 40 EDAB CCn1c(SCC(=O)N2CCNC2=O)nnc1-c1cccs1 4516430 JOJHGPMSRUDFLQ-UHFFFAOYSA-N 337.430 1.670 0 40 EDAB O=c1c2ccccc2nnn1CSc1nnnn1-c1ccccc1 5523746 WFIAPJJEGLJNHE-UHFFFAOYSA-N 337.368 1.517 0 40 EDAB Cc1nc(N2CCO[C@@H](C(=O)N3CCCC3)C2)c2ccncc2n1 1888859497 FNANMGVIVKDTSJ-OAHLLOKOSA-N 327.388 1.161 0 40 EDAB Cc1cccc(CN2CCC[C@@](C(=O)N(C)C)(n3ccnc3)C2)n1 2055772517 PTPJODWHCUIFJK-GOSISDBHSA-N 327.432 1.666 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(c2nnc(C(C)(C)C)s2)CC1 2086866015 GHCCDVQIXDDHMQ-LBPRGKRZSA-N 339.509 1.871 0 40 EDAB CN(c1ncncc1F)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 585593545 FOGYSIGDBVSMRU-UHFFFAOYSA-N 340.366 1.256 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@](O)(c1ccco1)C1CC1 75154976 DNIIRGMYVRVSBD-MRXNPFEDSA-N 334.397 1.371 0 40 EDAB Cc1cc(C)n2nc(C(=O)N(C)Cc3nc4ccccc4[nH]3)nc2n1 30658160 KEIIOOIUYGFKDE-UHFFFAOYSA-N 335.371 1.890 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CCO1 30852412 KGKDREINARDKJO-SNVBAGLBSA-N 346.836 1.499 0 40 EDAB CCOc1ncccc1C(=O)Nc1ccc(N2CCOCC2)cn1 30974274 OCSPTYXEFWPKFI-UHFFFAOYSA-N 328.372 1.964 0 40 EDAB CCc1ccccc1NC(=O)COC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 100646858 LWDAHNBEEPVMJF-BXMOBXRTSA-N 343.379 1.928 0 40 EDAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N[C@H]1CCS(=O)(=O)C1 31612052 GVCNBGNWKILMOJ-UZYOAWRESA-N 331.397 1.189 0 40 EDAB CCN1CCN(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)CC1 40522816 DUKLZUXGYBVYAY-UHFFFAOYSA-N 339.823 1.436 0 40 EDAB Cn1ccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1=O 51461357 PYYKMJASGJGOSZ-MRXNPFEDSA-N 340.379 1.736 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2cccnc2N(C)C)cc1C(N)=O 32438049 OUEVEAHXNRLEGN-UHFFFAOYSA-N 348.428 1.033 0 40 EDAB C[C@H](NC(=O)CN(C)CC(N)=O)c1ccc(OC(F)(F)F)cc1 52831915 JKAUXGDHWHWEJC-VIFPVBQESA-N 333.310 1.180 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@@H]1CCCc2occc21 103020742 UBLFBNOEEUKHPR-SNFWNPNHSA-N 340.379 1.580 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)C2CC2)C1 42468693 JFMGTQZWIGXRAQ-HNNXBMFYSA-N 344.411 1.723 0 40 EDAB C[C@H]1CN(C(=O)c2c(I)cnn2C)C[C@H](C)O1 996083 IBCUXCRGJLIMAG-YUMQZZPRSA-N 349.172 1.274 0 40 EDAB CC(=O)N[C@H](CC(=O)N1CCC[C@H](n2cncn2)C1)c1cccs1 72272239 JIIREQSCXPOJLN-UONOGXRCSA-N 347.444 1.771 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n(C)c1 105627998 SDRVOYYMEBWSKP-OWTLIXCDSA-N 339.461 1.488 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)CNc2cccc(CC(F)(F)F)c2)C1 79062235 NOVMOUGQSDVFIY-GFCCVEGCSA-N 343.349 1.927 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCCN2c2ccnc(C(C)(C)C)n2)CC1 79016882 IOTXRYNGLJBZEZ-AWEZNQCLSA-N 331.464 1.517 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 24778373 LRLIWKLALKXWQY-UHFFFAOYSA-N 347.440 1.585 0 40 EDAB C[C@H]1CN(CC2CCN([C@H](C)C(=O)N3CCCC3)CC2)C[C@@H](C)O1 106583018 FUDGXAFJNHQGQV-IXDOHACOSA-N 337.508 1.819 0 40 EDAB COCCn1c(SCC(=O)N2CCCC2)nnc1-c1ccncc1 3246034 RVKNNKHKTXMIQX-UHFFFAOYSA-N 347.444 1.701 0 40 EDAB CC(=O)Nc1nc(C(=O)Nc2cccc(-n3cnnc3)c2)cs1 25288195 SSUHOMPJQZFWDE-UHFFFAOYSA-N 328.357 1.935 0 40 EDAB CC(C)[C@H](CNS(=O)(=O)/C=C/c1ccccc1)N1CCOCC1 25373662 QGBAXVWBQSQSKK-YJJOXIQCSA-N 338.473 1.934 0 40 EDAB COc1cc(C(=O)NCCNC(=O)c2ccco2)cc(OC)c1OC 4498079 UACRWOAUQGBDMB-UHFFFAOYSA-N 348.355 1.465 0 40 EDAB Cc1ccc(OCC(=O)NCCCNC(=O)c2cnccn2)cc1 4985380 UBKUBZHGCQNQSN-UHFFFAOYSA-N 328.372 1.100 0 40 EDAB NC(=O)c1nc(-c2cccs2)nc2c1[nH]c(=O)n2-c1ccccc1 6808803 MCGJVUKIBSFSAE-UHFFFAOYSA-N 337.364 1.936 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2cccnc2OC)cc1 25842388 QBQZJLSPONHKSD-UHFFFAOYSA-N 349.412 1.069 0 40 EDAB C[C@@H](NC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O)c1ccc2c(c1)OCO2 102353982 GYMUAMRCBNXAOE-IYEZJWFFSA-N 331.324 1.247 0 40 EDAB COc1cc(CC(=O)OCc2nc(N)nc(N(C)C)n2)ccc1C 26254276 QFNPBSFCBSXJJA-UHFFFAOYSA-N 331.376 1.123 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 108131559 ZESYLQJTLYQRMX-JYJNAYRXSA-N 345.447 1.819 0 40 EDAB CC(C)COc1ccccc1CNC(=O)CCN1C(=O)CCC1=O 58099519 AFJFXOSKOTVGEG-UHFFFAOYSA-N 332.400 1.877 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)COc2ccccc2C)C1 57318972 JHLZNQFQBAHQLI-JKSUJKDBSA-N 348.443 1.764 0 40 EDAB CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 27551410 DFHKWSRVWUQAHN-UHFFFAOYSA-N 326.315 1.781 0 40 EDAB COc1ccc(C(=O)Cn2nnn(-c3cccs3)c2=O)cc1OC 58161051 PSGNUUXQRZRZKM-UHFFFAOYSA-N 346.368 1.391 0 40 EDAB C[C@H]1CN(C(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)CCO1 44892740 JGVRQYVGANYCBT-GJZGRUSLSA-N 338.473 1.976 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(c2cnccn2)CC1 27631476 PTSQHNQHNURMBN-AWEZNQCLSA-N 343.435 1.403 0 40 EDAB Cn1nc(Br)c2c(NCCNc3ncccn3)ncnc21 58280713 JHSDXYHIDWMRJY-UHFFFAOYSA-N 349.196 1.440 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)NCc2cc(C)on2)c(Cl)c1 58267365 BJPFKRGRHMAPJE-UHFFFAOYSA-N 344.776 1.902 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCCc2ccccc2)CC1 58282655 MMMNGLMLYUQDRD-SFHVURJKSA-N 343.471 1.950 0 40 EDAB Cc1nccc(N2CCN(C(=O)NCCCCN3CCCC3)CC2)n1 97136614 JDMHOKPLCIDGDS-UHFFFAOYSA-N 346.479 1.493 0 40 EDAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCSCC2)C1 57912967 ATYXQHMDLBGYSH-OAHLLOKOSA-N 347.440 1.760 0 40 EDAB C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1 45449079 QTZQWAMNSZEQIU-UONOGXRCSA-N 327.384 1.541 0 40 EDAB C[C@@H](CNC(=O)CCn1cnc2ccccc2c1=O)CN1CCCC1 47905177 MKWCIUDYDZNZOW-HNNXBMFYSA-N 342.443 1.635 0 40 EDAB CC(C)n1nnnc1CNC(C)(C)c1cn(-c2ccccc2)nn1 97112494 COJKFUOYVCRNMN-UHFFFAOYSA-N 326.408 1.860 0 40 EDAB CC(C)C(=O)NCCNC(=O)NCc1ccc(N2CCCC2)nc1 23149666 WXOINYFPZXFAON-UHFFFAOYSA-N 333.436 1.253 0 40 EDAB Cc1cnn(CCC(=O)Nn2c(S)nc3ccccc3c2=O)c1 101607017 VVUMQETWBKYALP-UHFFFAOYSA-N 329.385 1.351 0 40 EDAB C[C@H](NC(=O)N1CCN(Cc2ccsc2)CC1)c1nncn1C 46963660 TTZBSHAORYWBTN-LBPRGKRZSA-N 334.449 1.465 0 40 EDAB O=C(CCNc1ncnc2[nH]cnc12)Nc1ccc2c(c1)OCO2 12322492 AGVSSOUDMJZVQX-UHFFFAOYSA-N 326.316 1.522 0 40 EDAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccccc2)cc1 3253860 NKNCIURIBCZRHB-UHFFFAOYSA-N 347.392 1.699 0 40 EDAB O=c1ccnc2sc(N[C@H]3CCN(Cc4ccccc4)C3)nn12 48235339 KNLZDEIWNAELLX-ZDUSSCGKSA-N 327.413 1.837 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NC[C@H]1CCOC1 48286988 WZPYOWZOBGPEPT-QWHCGFSZSA-N 340.445 1.829 0 40 EDAB COCCN(CCOC)C(=O)COC(=O)c1ccc(Cl)cc1N 3312306 FKXKDFDTWLFMMW-UHFFFAOYSA-N 344.795 1.200 0 40 EDAB O=C(CCCCCO)OCCOCCOC(=O)CCCCCO 114653510 NZUNWRVHLLQLSX-UHFFFAOYSA-N 334.409 1.195 0 40 EDAB CSCC[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1nc2ccccc2[nH]1 48302384 IEMZZONZLWFLCT-CHWSQXEVSA-N 332.429 1.752 0 40 EDAB CN(Cc1ccccc1)[C@H]1CCN(c2nnc(Cl)cc2C(N)=O)C1 95406112 RTDBJSDCNHRAFQ-ZDUSSCGKSA-N 345.834 1.940 0 40 EDAB CCCNC(=O)CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 12972926 HZQVXCQYIWLLRY-NSHDSACASA-N 337.807 1.335 0 40 EDAB NC(=O)C1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 49157126 ALUFPMSSXSRVEM-UHFFFAOYSA-N 341.209 1.387 0 40 EDAB CCCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1CC 6093808 LAHOZIVUTCVJEO-UHFFFAOYSA-N 348.428 1.744 0 40 EDAB CCn1c(=O)c2c(nc3n(Cc4ccco4)c(C)cn23)n(C)c1=O 4250715 VOFXDHOPPDWCKC-UHFFFAOYSA-N 327.344 1.119 0 40 EDAB C[C@@H](CO)NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 97204311 GAWSCHPZIOCSOI-LBPRGKRZSA-N 328.347 1.913 0 40 EDAB CC[C@H]1CN(C(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)CCO1 65490052 ZTPAAELXCOQGET-ZDUSSCGKSA-N 342.399 1.320 0 40 EDAB COc1cccc(C(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)c1 65434290 YPDAOFGMIDPJJH-UHFFFAOYSA-N 347.806 1.683 0 40 EDAB CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CCO1 97490993 KSPGZIBTOQIESK-CQSZACIVSA-N 332.400 1.634 0 40 EDAB CCN(CC)c1ccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cn1 65548511 WOCHWHIXSFSPLF-MRXNPFEDSA-N 326.400 1.884 0 40 EDAB CN(CC(=O)N1CCCCC[C@H]1c1cccn1C)S(C)(=O)=O 65568733 WZBTZQOAMDFKMI-AWEZNQCLSA-N 327.450 1.360 0 40 EDAB CN(C)C(=O)C1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 65588263 XNONZGMNPUROPX-UHFFFAOYSA-N 329.400 1.083 0 40 EDAB Cc1noc(C)c1CCC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 65553113 ZCNMCXWJXLDSRG-CQSZACIVSA-N 347.390 1.824 0 40 EDAB O=C(NCCc1nnc2n1CCC2)c1ccc(OCC2CC2)cc1 65796162 LGEQIVYHBPGEHY-UHFFFAOYSA-N 326.400 1.986 0 40 EDAB Cc1ccc(N2CCC[C@@H](NC(=O)CCn3cncn3)C2=O)cc1 96426761 JKPJTYFZLYRPSV-OAHLLOKOSA-N 327.388 1.288 0 40 EDAB COc1ccc(/C=C/C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c(OC)c1 71823426 BZMFBBDATZTZHD-GKUAPZSJSA-N 332.400 1.829 0 40 EDAB O=C(c1cccnc1N1CCOCC1)N1CCN2CCCC[C@H]2C1 71839722 LWQDHQUVTZECQE-HNNXBMFYSA-N 330.432 1.229 0 40 EDAB O=C(NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(=O)[nH]c1 71850416 NOEUEPYNGXCGBJ-INIZCTEOSA-N 328.368 1.863 0 40 EDAB O=C(Cn1cncn1)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 71853500 LVKCSQUMBPJGLF-ROUUACIJSA-N 339.443 1.934 0 40 EDAB CNC(=O)c1cccc(NC(=O)COC(=O)Cc2cccc(F)c2)c1 7544384 DPZUHZFNLZBSSJ-UHFFFAOYSA-N 344.342 1.910 0 40 EDAB CCCNC(=O)[C@H](C)OC(=O)CN1CCN(Cc2ccccc2)CC1 71921288 VULYWVYJDFVPRR-INIZCTEOSA-N 347.459 1.262 0 40 EDAB O=C(CN1CCCNC1=O)N[C@H]1CCCC[C@@H]1Oc1ccccc1 71904547 DJQNAYOBYCJOOF-HOTGVXAUSA-N 331.416 1.908 0 40 EDAB COc1ccc(OCCN(C)S(=O)(=O)c2c(C)noc2C)cc1 8130205 UEQWHLMGTWDOCG-UHFFFAOYSA-N 340.401 2.000 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)NCCC(=O)N1CCCCCC1 69307185 DYEJQXYSDXDOAY-CYBMUJFWSA-N 335.452 1.881 0 40 EDAB COc1ccc(S[C@@H](C)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 83927542 RYKIXAYODIASSK-RYUDHWBXSA-N 336.413 1.839 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@@H]1COc3ccc(Cl)cc3C1)C2 69451622 VWILRCMRYGPXJZ-LBPRGKRZSA-N 332.791 1.833 0 40 EDAB NC(=O)C1CCN(C(=O)CN2CCCC[C@H]2Cc2ccccc2)CC1 69453421 JUBROIWJXREFQR-SFHVURJKSA-N 343.471 1.808 0 40 EDAB C[C@@H](Cn1cccn1)NCC(=O)N(C)C[C@@H]1COc2ccccc2O1 69415986 OCQNRYNZVHLTFT-LSDHHAIUSA-N 344.415 1.160 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2ccccn2)C1=O 69528098 LPKKWSJXVFVSRF-SJKOYZFVSA-N 330.388 1.250 0 40 EDAB Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCC[C@H]1Cn1cncn1 69597569 PUGVFIUVBDAQNK-ZDUSSCGKSA-N 345.451 1.412 0 40 EDAB CN1C(=O)C[C@@H](NC(=O)Cc2ccn[nH]2)[C@H]1c1ccc(Cl)cc1 91769834 HRZADMGGXNEOBX-CZUORRHYSA-N 332.791 1.694 0 40 EDAB NC(=O)CCNC(=O)c1ccccc1NCC(=O)Nc1ccccc1 69618636 QUAUHHWSNXYETG-UHFFFAOYSA-N 340.383 1.342 0 40 EDAB CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](CC)c1noc(C)n1 87140887 PVTLWHRLNVLRSQ-GHMZBOCLSA-N 333.396 1.817 0 40 EDAB COCCN(CCN(C)C)C(=O)/C=C/c1ccc2c(c1)OCCO2 69743677 SIIDHHJLPVYFIJ-FNORWQNLSA-N 334.416 1.508 0 40 EDAB Cc1ccc(CNC(=O)CN2CCCC[C@H]2Cn2cncn2)s1 69702846 CGNIJHOOLJYWRU-AWEZNQCLSA-N 333.461 1.819 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@@H]1Cn1cccn1 69771309 AQCFBWWUSUJEPR-CQSZACIVSA-N 337.383 1.284 0 40 EDAB CC[C@H]1CN(C(=O)c2c(C)nsc2NC)C[C@@H]1N1CCOCC1 84735983 UASSTZJVCVTGDY-STQMWFEESA-N 338.477 1.676 0 40 EDAB CSc1ccc(CNC(=O)Nc2ccn(CCC(N)=O)n2)cc1 69977142 PTFXMVHMFBEUDU-UHFFFAOYSA-N 333.417 1.802 0 40 EDAB Cc1nn(C)c(C)c1/C=C/C(=O)OCC(=O)c1ccc(O)cc1O 18262635 LFIQWOFELBGQGD-VOTSOKGWSA-N 330.340 1.887 0 40 EDAB CCOC(=O)N1CCC(NC(=O)CNC(=O)c2ccc(C)cc2)CC1 24704958 QIMAFSNKKBDBBT-UHFFFAOYSA-N 347.415 1.462 0 40 EDAB C[C@@H]1CO[C@H](CO)CN1Cc1nc2cc(Br)ccc2[nH]1 97099732 PMXNGUDGFVVYPN-KOLCDFICSA-N 340.221 1.907 0 40 EDAB CNC(=O)C1CCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1 89386011 LGVYDNPSJJDTAH-UHFFFAOYSA-N 333.388 1.125 0 40 EDAB CCCC[C@@H](C(=O)NCCn1cccc1)N1CCCS1(=O)=O 89950237 LOEDLDGQTGVDIU-AWEZNQCLSA-N 327.450 1.199 0 40 EDAB COc1ccc(CCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 75606256 PHVQGGYFNRCAPA-ZWKOTPCHSA-N 332.444 1.685 0 40 EDAB COc1ccc(Cl)cc1C(=O)NCCCN1CCN(C)CC1 61524368 AXKPRRDXMLSOHP-UHFFFAOYSA-N 325.840 1.716 0 40 EDAB CN(C)C(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)O)c2)c1 22514344 DZSMEXNYMLUMBR-UHFFFAOYSA-N 348.380 1.887 0 40 EDAB O=S1(=O)CCCN1Cc1nc([C@@H]2CCOc3ccccc32)no1 546402225 OEZKJRXUAPIOIH-GFCCVEGCSA-N 335.385 1.520 0 40 EDAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(OCC)c1 408588663 CFCPHNPJRNCVJS-KPKJPENVSA-N 334.328 1.461 0 40 EDAB CC[C@H](C(=O)N[C@H](C)COC)N(c1ccc(C)cc1)S(C)(=O)=O 37021580 RSXYLAZOVXCXDP-UKRRQHHQSA-N 342.461 1.691 0 40 EDAB CC[C@@H]1c2cccn2CCN1CC(=O)NCc1ccc(C(=O)OC)o1 72152054 KGTREOQMYJBVLO-CQSZACIVSA-N 345.399 1.951 0 40 EDAB CNC(=O)NC(=O)[C@H](C)Sc1nc(C)c(C)n1C[C@@H]1CCCO1 32719384 HXAYYJJKMHWBIW-RYUDHWBXSA-N 340.449 1.615 0 40 EDAB CC(C)(C)C(=O)NCC(=O)NCc1ccc(Cn2cncn2)cc1 32868955 GJXPUERCBWTMER-UHFFFAOYSA-N 329.404 1.105 0 40 EDAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCNCC1 36378011 RXZYZWZTSFNUHI-UHFFFAOYSA-N 328.743 1.953 0 40 EDAB Cc1cccc(Nc2cncc([C@H]3CCCN(CC(N)=O)C3)n2)n1 72360945 HWLOLMHCZXBIMI-ZDUSSCGKSA-N 326.404 1.588 0 40 EDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(CC)c2C)C1 36614776 AGEWHKITFSLCPF-CYBMUJFWSA-N 343.449 1.484 0 40 EDAB COc1ccccc1CNS(=O)(=O)c1cnn(-c2ccccn2)c1 72239024 JLGFUVSLVPCFFD-UHFFFAOYSA-N 344.396 1.754 0 40 EDAB COCCCNS(=O)(=O)c1ccc(NCC(C)C)c(C(=O)O)c1 217599901 FTDKHHMFFVATNM-UHFFFAOYSA-N 344.433 1.768 0 40 EDAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)C(=O)Nc1cccc(-n2cnnc2)c1 49550644 LPTYKPKBJWLYQY-HZSPNIEDSA-N 337.383 1.534 0 40 EDAB Cc1cccc(OCCCNC(=O)Cc2nc3ncccn3n2)c1 49614851 BIYOUGUEWIAOGY-UHFFFAOYSA-N 325.372 1.561 0 40 EDAB Cc1ccc(N(C)S(=O)(=O)c2cnn(-c3ccccc3)c2)nn1 194975684 DSFXDEQRMDCXIE-UHFFFAOYSA-N 329.385 1.796 0 40 EDAB CO[C@H]1CNC[C@H]1NC(=O)c1cc(Cl)ccc1Br 195544821 NFXZVHYIELSPLF-MNOVXSKESA-N 333.613 1.819 0 40 EDAB COc1ccc(CN2C[C@H]3CN(Cc4ncc[nH]4)CCN3C2=O)cc1 85436194 AVWKRWSJWFFSBM-OAHLLOKOSA-N 341.415 1.540 0 40 EDAB biogenic,in-vitro Cc1ccn(CC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c(=O)c1 194877004 JGFNICJSNDHEBD-DLBZAZTESA-N 347.459 1.041 0 40 EDAB O=C([C@H]1CN(Cc2nccs2)CC12CCOCC2)N1CCCC1 96052179 KFIRYHLVZNHCNX-CQSZACIVSA-N 335.473 1.994 0 40 EDAB CCc1cnc(N2CCO[C@@H]3CN(C(=O)C4CC4)CC[C@@H]3C2)nc1 96249780 VPPCPDZHZMPOOK-HZPDHXFCSA-N 330.432 1.503 0 40 EDAB O=C(Nc1ccccc1)[C@H]1C[C@@H]2CN(c3ncc(F)cn3)C[C@H]1O2 96083632 XFDDYCBEYKCQJH-QLFBSQMISA-N 328.347 1.848 0 40 EDAB CCn1nnc2c1CCN(C(=O)c1ccc3c(c1)OCO3)[C@@H]2COC 96198482 KSLLQTNJUBMJKE-CYBMUJFWSA-N 344.371 1.413 0 40 EDAB O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccco1 96044399 AJTCOLUQASDGDX-INIZCTEOSA-N 345.399 1.947 0 40 EDAB COc1cc(N2CCc3ncc(CN4CCCC4)n3CC2)ncn1 96196856 HLTFKFOCBGDKKS-UHFFFAOYSA-N 328.420 1.340 0 40 EDAB O=C(c1cccnc1)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96047743 HNPWYAOPVUACDR-RHSMWYFYSA-N 325.372 1.357 0 40 EDAB COc1cc(N2CCO[C@]3(CCCN(c4ccccn4)C3)C2)ncn1 96226362 XCWSAPFLSCEHHR-SFHVURJKSA-N 341.415 1.756 0 40 EDAB O=C(C[C@@H]1CO[C@@H]2CN(CC3CCOCC3)C[C@H]12)Nc1cccnc1 96219568 YVHIDTYGPXTXOE-KBAYOESNSA-N 345.443 1.784 0 40 EDAB Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)cc1F 96410797 OIYRQUYDKODSQT-ZDUSSCGKSA-N 345.378 1.201 0 40 EDAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2nc(C(C)(C)C)no2)C1 580967319 GWNPFPRNJWIFPY-STQMWFEESA-N 336.436 1.579 0 40 EDAB NS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C3CCC3)cn2)C1 333616626 FRKLOPDPTWSFCV-CYBMUJFWSA-N 338.433 1.634 0 40 EDAB CCN1CCN(C(=O)NC[C@H]2CCCCO2)C[C@H]1c1nccn1C 583615008 KTWVUZGQIJGMIE-CABCVRRESA-N 335.452 1.377 0 40 EDAB O=C(CCc1ccc(Cl)cc1)N1CCC[C@](O)(c2cnn[nH]2)C1 583617756 OFFSETMJWVYNOU-MRXNPFEDSA-N 334.807 1.901 0 40 EDAB O=C(NC[C@H]1CC(C(F)(F)F)=NO1)Nc1ccc(C2CC2)nn1 583650900 COUUIODAFYEFMT-MRVPVSSYSA-N 329.282 2.183 0 40 EDAB COc1ccc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)nn1 583620178 PADRKKPNTZXPIL-KBXCAEBGSA-N 344.463 1.734 0 40 EDAB O[C@@]1(c2cnn[nH]2)CCCN(Cc2ncc(Cl)cc2Cl)C1 583617895 GUVVOTPUXAXVRF-ZDUSSCGKSA-N 328.203 1.990 0 40 EDAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)[C@H](C)C2 97236500 DJFZIANNGRFNJA-YLGOIMDESA-N 330.428 1.620 0 40 EDAB O=C(c1ccncc1)N1CC2(C[C@@H](OCC3CCOCC3)CCO2)C1 247854564 KBVBFGQJCGOBEF-KRWDZBQOSA-N 346.427 1.898 0 40 EDAB O=C(NCc1ccco1)C(=O)NC[C@@H](O)c1csc2ccccc12 253403534 QBYYOVQEVPHFPA-CQSZACIVSA-N 344.392 1.960 0 40 EDAB C[C@]1(C2CCN(CC(N)=O)CC2)CN(c2ccccc2)C(=O)CO1 257256474 KLQQLXHXYUVELB-GOSISDBHSA-N 331.416 1.006 0 40 EDAB COc1coc(C(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1=O 253395758 QWXODUNJXAWKIC-GXTWGEPZSA-N 332.400 1.737 0 40 EDAB CC(=O)N1[C@H]2CCN(C(=O)CCc3cccnc3)C[C@@H]2C[C@]1(C)CO 257320100 VVKFTVFAGMIKFX-JENIJYKNSA-N 345.443 1.235 0 40 EDAB COC(=O)c1c(F)ccc(Cl)c1NC(=O)CCS(C)(=O)=O 585086566 HJDUCCAJLNKSPB-UHFFFAOYSA-N 337.756 1.639 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)c3cncnc3)CC2)cn1 257265143 LXMAUGQWKVBUPT-UHFFFAOYSA-N 340.431 1.423 0 40 EDAB Cc1cc(CC[C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)ccn1 257277294 NXGOMYHYVDBBRG-HNNXBMFYSA-N 334.445 1.909 0 40 EDAB CO[C@@H]1CCCN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 585115593 JIBNIJLQSRFKLF-CYBMUJFWSA-N 348.465 1.294 0 40 EDAB CCOC(=O)CCC(=O)N1CC[C@@H](Oc2ncnc(CC)c2F)C1 253473060 RESMWBJRMCSCGM-LLVKDONJSA-N 339.367 1.501 0 40 EDAB CO[C@@H]1CN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC[C@H]1C 251928322 SWKXMVXTJRQCGW-JHJVBQTASA-N 337.386 1.937 0 40 EDAB O=C(NCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)c1cccs1 262394693 BSOXEJZDOFVSIL-WOPDTQHZSA-N 336.413 1.722 0 40 EDAB COc1cccc(Cn2cccc(NC(=O)[C@@H]3[C@H]4COC[C@H]43)c2=O)n1 1615616356 YZIQTEJFJRKOCH-VIKVFOODSA-N 341.367 1.131 0 40 EDAB COC(=O)[C@@H](CC(C)(C)C)NC(=O)[C@@H](C)n1cnc2c(N)ncnc21 597799900 YEPKLSFCYQTHDG-NXEZZACHSA-N 348.407 1.064 0 40 EDAB COc1cccc2c1CC[C@@]2(N)C(=O)NCc1cc(C)cnc1O 1615555248 OWNKVNYTYAEDNW-SFHVURJKSA-N 327.384 1.521 0 40 EDAB COc1ccc(NC(=O)CSc2nc(=O)c(C)n[nH]2)c(OC)c1 96300951 CIOADSVUQJHDGS-UHFFFAOYSA-N 336.373 1.221 0 40 EDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1cccc2ncccc12 585279703 XLTVGMGOQILUBR-LJQANCHMSA-N 341.411 1.992 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 585095714 FHKOJFUWIAWWFM-BPLDGKMQSA-N 332.404 1.367 0 40 EDAB Cc1cc(N2CCOC[C@](O)(COc3cccc(F)c3)C2)ncn1 585276075 LTBQUVUACOCEPS-KRWDZBQOSA-N 333.363 1.571 0 40 EDAB O=S(=O)(c1ccc(Cl)s1)N1CC(Nc2cccnn2)C1 585148779 GFETVTPBUZACBP-UHFFFAOYSA-N 330.822 1.677 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCN(CCn2ccccc2=O)CC1 69386533 SADITLYFWOAONF-CQSZACIVSA-N 343.431 1.488 0 40 EDAB Cc1ccc(NC2CCN(C(=O)[C@@H](C(C)C)n3cncn3)CC2)nn1 71863552 DUEHBWXINLUCKP-MRXNPFEDSA-N 343.435 1.677 0 40 EDAB COc1ccc(CCNC(=N)NCC(=O)NCc2ccco2)cc1 72280336 AIEOOZDTXVFUIB-UHFFFAOYSA-N 330.388 1.261 0 40 EDAB COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3ccnc3C)[C@H]2O)cc1 952844903 RTHFINJBVKRKRL-HSFUPAIVSA-N 345.399 1.016 0 40 EDAB biogenic,in-vitro O=C(NCCNc1cnccn1)c1ccc(OC[C@@H]2CCCO2)cc1 47492367 PHNJPCWGJWBQFK-INIZCTEOSA-N 342.399 1.876 0 40 EDAB CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1nncs1 52893216 ADCHZNMFTRTPSN-UHFFFAOYSA-N 333.417 1.610 0 40 EDAB CCC[C@@H](NC(=O)Cn1ncn2nccc2c1=O)C1CCCCC1 78996418 QWRBALBGUJOJQM-CQSZACIVSA-N 331.420 1.756 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1F 73028221 CGSXJOJHPPQECR-QGZVFWFLSA-N 333.363 1.471 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@H](C(=O)NC(C)C)c3ccccc3)CCO2)n1 76048647 TXJIXWBRPXYRJN-HOTGVXAUSA-N 343.431 1.752 0 40 EDAB CCc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)[nH]n1 95976939 SCZJKIACZIYNRZ-CRAIPNDOSA-N 342.443 1.585 0 40 EDAB C[C@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 5995330 HOIPITSALYMZEM-ZNMIVQPWSA-N 345.509 1.037 0 40 EDAB Cc1cc(NC(=O)COC(=O)Cc2noc3ccccc23)n(C)n1 11182659 CETAZVWJONFBEH-UHFFFAOYSA-N 328.328 1.594 0 40 EDAB CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C)C2)c1 14184194 PQKMJXYTRMSXFH-GFCCVEGCSA-N 326.418 1.234 0 40 EDAB CN1C(=O)N(C)C2(CCN(C(=O)c3c(F)cccc3F)CC2)C1=O 16849891 OUBAXYFEDVGOGQ-UHFFFAOYSA-N 337.326 1.463 0 40 EDAB Cc1cc2nc([C@H](C)NC(=O)c3ccc(C)[nH]c3=O)cc(O)n2n1 19131464 QNLVTXORURKERW-JTQLQIEISA-N 327.344 1.231 0 40 EDAB Cc1ncc(-c2ccccn2)c(CCNC(=O)c2ccc(=O)n(C)c2)n1 19286948 XZEHSTKWKQJPBW-UHFFFAOYSA-N 349.394 1.518 0 40 EDAB CN(CCc1ccccn1)C(=O)C1CN(C(=O)C[C@H]2CCCO2)C1 19748581 CUDRJWUVQYFXEJ-MRXNPFEDSA-N 331.416 1.110 0 40 EDAB CC(=O)N1CCC(C(=O)N2CC[C@H](Oc3ccc(C)nn3)C2)CC1 225422209 POBGLFOYGYASBU-HNNXBMFYSA-N 332.404 1.023 0 40 EDAB Cc1cc(O)nc(N2CCC(NC(=O)c3csc(C)n3)CC2)n1 238838022 HEHZBWLHXNCUNZ-UHFFFAOYSA-N 333.417 1.654 0 40 EDAB CC(C)c1ccc(OCC(=O)N2CC(N3C(=O)CCC3=O)C2)cc1 238848217 IVIGCAWIOABXCW-UHFFFAOYSA-N 330.384 1.549 0 40 EDAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3snnc3C)C2)c1F 240067701 RZGGGZXWXZXGJO-SECBINFHSA-N 337.380 1.632 0 40 EDAB O=C(NCCCN1CCOCC1)[C@@H]1CC(=O)N(C2CCCCC2)C1 23212092 DYXIDRQXNIBAGB-OAHLLOKOSA-N 337.464 1.006 0 40 EDAB NC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2cccnc2)nc2ccccc12 3356684 AGQYHODJZKKHJO-DOMZBBRYSA-N 335.367 1.117 0 40 EDAB Cc1ccc(N2C[C@@H]3CN(C(=O)c4ccc5nn[nH]c5c4)C[C@H]3C2)nn1 1888913482 DFJOHINJMRSMIY-ZIAGYGMSSA-N 349.398 1.265 0 40 EDAB CC(C)c1noc(CN2CCC[C@@H](NS(=O)(=O)C3CC3)C2)n1 1889125152 SGFMSZKJEXYEKD-LLVKDONJSA-N 328.438 1.239 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 24085106 MYIDRVUOJUFAAA-NSHDSACASA-N 335.379 1.210 0 40 EDAB Cc1nc(CN2CCO[C@H]3CN(Cc4cncn4C)C[C@@H]32)cs1 2056224155 FHIITQCYPLARSE-HOTGVXAUSA-N 333.461 1.270 0 40 EDAB CC(C)C(=O)N1CC[C@@]12CCCN(C(=O)c1ncc(Cl)cn1)C2 1565552908 CRANXOQQWXZVJX-MRXNPFEDSA-N 336.823 1.993 0 40 EDAB O=C1C[C@@H](NS(=O)(=O)c2cccnc2)CN1c1cccc(F)c1 4303438 PVICBEQSVACSPG-GFCCVEGCSA-N 335.360 1.305 0 40 EDAB CN(C)[C@H](CNS(=O)(=O)c1cc(F)ccc1F)c1cccn1C 11897866 ZQAODXNVQSFTLL-CQSZACIVSA-N 343.399 1.885 0 40 EDAB Cc1c(CN2CCC[C@@](C(=O)N(C)C)(n3cccn3)C2)cnn1C 2055771779 XSRRUDXESYOULB-QGZVFWFLSA-N 330.436 1.005 0 40 EDAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(C(C)=O)C3)C2)cc1 2055835017 QPBNNDPSVWKQGS-KRWDZBQOSA-N 331.372 1.791 0 40 EDAB COc1nc(CNC(=O)/C=C/c2ccccc2F)nc(N(C)C)n1 575608233 SFFLYHILFLULOM-CMDGGOBGSA-N 331.351 1.415 0 40 EDAB O=C(c1cc2ccccc2oc1=O)N1CCN(c2cnsn2)CC1 585148777 HJGZDBRKAQVHII-UHFFFAOYSA-N 342.380 1.607 0 40 EDAB O=C(CN1C(=O)CCC1=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 585147898 GSMHKUKGVURWSD-AWEZNQCLSA-N 342.351 1.245 0 40 EDAB O=C(NCC1(CO)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 49030103 SSEDIHWBJWSBGQ-UHFFFAOYSA-N 332.278 1.412 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](C1CC1)N(C)C 40555217 DZOIIJKFTIKWNG-HNNXBMFYSA-N 328.416 1.951 0 40 EDAB O=C(Cn1cnnn1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32678919 QZWOYZNUMZWWGX-UHFFFAOYSA-N 329.360 1.373 0 40 EDAB Cc1nn2c(nc(N3C[C@H](O)C[C@@H]3C(N)=O)c3ccccc32)c1Cl 32853433 KPHPOIIADJIFBC-BXKDBHETSA-N 345.790 1.269 0 40 EDAB Clc1ncc(I)c(N2CCOCC2)n1 32919152 VMRBICMFDRFBSZ-UHFFFAOYSA-N 325.537 1.571 0 40 EDAB CNC(=O)c1ccc(C)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 103137133 CGIUSGFMOCHOJA-AZHAFVHUSA-N 328.368 1.816 0 40 EDAB CC[C@H](NC(=O)c1ccc(CNC(=O)[C@H]2CCCO2)cc1)C(=O)O 33520401 QCKAQRKQYRREBJ-UONOGXRCSA-N 334.372 1.075 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)COc1ccc(N2CCCC2=O)cc1 42513570 SRZYFWBGCNMTKT-CQSZACIVSA-N 342.399 1.594 0 40 EDAB Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)c1ccccc1F 23544753 ALDPHVUNMPODGE-SECBINFHSA-N 342.378 1.882 0 40 EDAB C[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)N1CCNC1=O 55043809 BKRXSCGFCNFZHI-ABZNLYFFSA-N 339.351 1.732 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)Nc1cc(C(N)=O)ccn1 78307367 KAJXZDYBZJYMBP-OAHLLOKOSA-N 339.443 1.803 0 40 EDAB CCNC(=O)N[C@H]1CN([C@H](C)C(=O)Nc2ccccc2C)C[C@@H]1OC 106798094 ZPKOREXFPCBHCP-KBMXLJTQSA-N 348.447 1.340 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 6934242 ZOQVALLMDCZWFS-QWRGUYRKSA-N 344.433 1.285 0 40 EDAB O=C(CSc1cccc[n+]1[O-])NC[C@@H]1COc2ccccc2O1 26093609 JVPCAYKHANAPBB-GFCCVEGCSA-N 332.381 1.368 0 40 EDAB CCc1cccc(OC[C@H](O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 58083150 ZTLKFWYSNKQWPV-KDOFPFPSSA-N 332.400 1.709 0 40 EDAB CN(C[C@H](O)C(F)(F)F)C(=O)CC1CN(C(=O)OC(C)(C)C)C1 95464853 LRGPWHCHGYOKEX-JTQLQIEISA-N 340.342 1.625 0 40 EDAB Cc1cc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)n(C)n1 10252651 XFJJYJKPCDIRHV-UHFFFAOYSA-N 326.356 1.934 0 40 EDAB COc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)nn1 61977791 KTSZXIFWBVGYHN-UHFFFAOYSA-N 326.400 1.486 0 40 EDAB Cc1nc([C@@H]2COCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)no1 95468258 CJVRAEOPWSOKBF-HNNXBMFYSA-N 339.355 1.982 0 40 EDAB O=c1[nH]c(CSC2=NN/C(=C3\C=CC=N3)O2)nc2ccsc12 102893650 JOGKDAJFKOXEPQ-WQLSENKSSA-N 331.382 1.918 0 40 EDAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1ccc(F)cc1 8061236 REZIGXRCDUJMAI-UHFFFAOYSA-N 342.378 1.711 0 40 EDAB O=C(COC(=O)[C@@H]1CCC(=O)N1)Nc1ccc(Br)cc1 3227496 SRHSDLJKZGURMD-JTQLQIEISA-N 341.161 1.209 0 40 EDAB COC(=O)c1ccccc1CS(=O)(=O)N[C@H](C)[C@@H](CO)SC 95443836 FYWNWWLHRQBKFS-ZWNOBZJWSA-N 347.458 1.005 0 40 EDAB Cc1cc(NCCNC(=O)c2ccc(F)cc2F)n2ncnc2n1 58293328 HCERJWCVHFNYNM-UHFFFAOYSA-N 332.314 1.553 0 40 EDAB COc1cc(C(=O)Nc2c(C)noc2C)cc(OC)c1OCC(N)=O 58224340 GASLWLKWVNYNOT-UHFFFAOYSA-N 349.343 1.425 0 40 EDAB CCCn1nnnc1CN1CCN(C(=O)Cc2ccc(F)cc2)CC1 44917880 HJOHRYOCRXIVGX-UHFFFAOYSA-N 346.410 1.109 0 40 EDAB COc1ccc(Cl)cc1CC(=O)NC[C@H]1CCS(=O)(=O)C1 44907974 ZLKFLBRRMPYOAI-SNVBAGLBSA-N 331.821 1.442 0 40 EDAB O=C(CN1C(=O)CCOc2ccccc21)N[C@@H]1CCN2CCCC[C@H]12 44942024 BQOIJUJXIXORGX-HUUCEWRRSA-N 343.427 1.545 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(Cc2nnnn2-c2ccccc2)C1 44950516 XLQRJFULLUAURJ-HNNXBMFYSA-N 340.431 1.401 0 40 EDAB CN(C)c1ncccc1CNC(=O)NCc1ccc2c(c1)OCCO2 44949671 BWZMZFJJYOVXHQ-UHFFFAOYSA-N 342.399 1.918 0 40 EDAB Cc1c(C(=O)N2[C@H]3CC[C@H]2CC(O)(c2cccnc2F)C3)cnn1C 100142635 JSJSNATZDBYVLU-STQMWFEESA-N 344.390 1.917 0 40 EDAB O=C(CS[C@H]1CCS(=O)(=O)C1)NCCOc1cccc(F)c1 58393206 PXCDHCDMROUJQH-ZDUSSCGKSA-N 347.433 1.241 0 40 EDAB CCS(=O)(=O)Nc1ccccc1C(=O)NCCc1ccccn1 58427670 CSRHMYRGRXZVBY-UHFFFAOYSA-N 333.413 1.816 0 40 EDAB C[C@H](C(=O)N1CCCCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100769075 NFCZNHLXKGLFKM-ZGTOCVDXSA-N 328.412 1.441 0 40 EDAB CCN1C[C@H](C(=O)N2CCN(c3nc(C)c(C)s3)CC2)CC1=O 95436395 GNGHSVIJFTZTFH-CYBMUJFWSA-N 336.461 1.277 0 40 EDAB CC(C)N(C)C[C@@H]1CO[C@]2(COCCN(C(=O)c3ccco3)C2)C1 107738709 DBNNYZRQMQWHPH-CRAIPNDOSA-N 336.432 1.868 0 40 EDAB Cc1cc(NC(=O)CSc2nnnn2Cc2ccccc2)n(C)n1 11577326 XGASTZQIVJPRQH-UHFFFAOYSA-N 343.416 1.494 0 40 EDAB CN1CCN([C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)O)CC1 22584942 BQTWCKBEKYWMBQ-KRWDZBQOSA-N 341.411 1.869 0 40 EDAB O=S(=O)(c1cncc(Cl)c1)N1CCN(Cc2ccco2)CC1 95437247 RFFRYWMLXFQDMM-UHFFFAOYSA-N 341.820 1.835 0 40 EDAB C[C@@H]1CCCN(CCNC(=O)C2CCN(C(=O)c3ccco3)CC2)C1 46878839 CNWYKWWVRDGGOF-OAHLLOKOSA-N 347.459 1.980 0 40 EDAB Cc1cc(N2CC[C@@H](NC(=O)CSc3ccccc3)C2=O)n(C)n1 174124155 FEBSGLKPGXHWAY-CQSZACIVSA-N 344.440 1.742 0 40 EDAB COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1 12795616 XDKNMBXHUPYTHX-INIZCTEOSA-N 327.384 1.591 0 40 EDAB C[C@@H](OC(=O)C1CC1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 3392968 AWYWCUADUOKJPO-SSDOTTSWSA-N 344.289 1.500 0 40 EDAB COc1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 3544470 INTDCGSJKQBFTO-UHFFFAOYSA-N 345.355 1.367 0 40 EDAB CCC[C@@H](NC(N)=O)C(=O)N1Cc2ccccc2[C@@H](n2cccn2)C1 95413250 NHVDCVLWCDQQFR-CVEARBPZSA-N 341.415 1.652 0 40 EDAB C[C@H]1CN(C[C@@H](O)Cn2cnc3cc(F)c(F)cc32)C[C@@H](C)O1 65172404 ULTFFBHOIQEYMN-GRYCIOLGSA-N 325.359 1.785 0 40 EDAB COC(=O)c1c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)sc(C)c1C 4392521 BUOYCGLPFVNNKY-JTQLQIEISA-N 345.442 1.915 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1 65473377 WTFKPNWHYVDQAM-CYBMUJFWSA-N 343.387 1.633 0 40 EDAB COc1cc2c(cc1OC)CCN(C(=O)c1ccc[nH]c1=O)CC2 65476080 KKUDBJDJOOCXTM-UHFFFAOYSA-N 328.368 1.633 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)CCCc2nc(-c3ccccc3)no2)C1 65474821 WSUDMIHCVXYLBL-ZDUSSCGKSA-N 328.372 1.393 0 40 EDAB CC(C)c1noc([C@@H](C)n2nnc(-c3ccc(C(N)=O)cc3)n2)n1 65515585 JSJUJDGOAZMICR-SECBINFHSA-N 327.348 1.555 0 40 EDAB Cc1cccc(OC[C@@H](O)CNCc2c(C)nn(C)c2N(C)C)c1 65512129 IYZGPBWIVDKLNM-HNNXBMFYSA-N 332.448 1.632 0 40 EDAB CC(=O)N1CCC(NS(=O)(=O)Cc2ccccc2Cl)CC1 65607832 NPFOHFKCZGKUJW-UHFFFAOYSA-N 330.837 1.770 0 40 EDAB CCc1ccc([C@H](C)NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 14196436 BPFOFQNTQRTZNN-LBPRGKRZSA-N 339.399 1.570 0 40 EDAB CCOC(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1 6579057 KLLVLXGSNYZOJY-UHFFFAOYSA-N 328.419 1.499 0 40 EDAB COc1cc([C@H]2N[C@H](C(=O)O)Cc3[nH]cnc32)cc(OC)c1OC 5728263 DCGSQVPEJVYNBL-GXFFZTMASA-N 333.344 1.124 0 40 EDAB CC(C)NC(=O)CSc1nnc(COc2ccccc2F)n1N 6847644 PRKYRVFOXCGLLD-UHFFFAOYSA-N 339.396 1.327 0 40 EDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1O 4999540 KJARIZBOUYJMFC-UHFFFAOYSA-N 332.337 1.175 0 40 EDAB Cc1nc2ccccn2c1CN1CCc2ccc(S(N)(=O)=O)cc21 96468511 CBENDANUWFGOFM-UHFFFAOYSA-N 342.424 1.853 0 40 EDAB COc1cc(N2CCN(C(=O)c3sc(C)nc3C)CC2)nc(C)n1 61971818 HAXUMPYEKJVTBZ-UHFFFAOYSA-N 347.444 1.829 0 40 EDAB Cc1nc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)oc1C 96420694 ZWVJIFRBAZQFJW-INIZCTEOSA-N 329.400 1.809 0 40 EDAB O=C(CNC(=O)C1CC1)NCc1ccc(OC2CCCCC2)nc1 69350684 MRZLPNAYNKYKQI-UHFFFAOYSA-N 331.416 1.936 0 40 EDAB COc1cc(OC)c([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1OC 17028514 PJAFTAHSZSBPHP-SNVBAGLBSA-N 345.355 1.578 0 40 EDAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2ccccc2oc1=O 69438433 ZTZSCCGFYZPROV-HNNXBMFYSA-N 344.411 1.976 0 40 EDAB C[C@@H](NC(=O)NCc1ccc(N(C)C)nc1)C(=O)N1CCCC[C@H]1C 69415873 KLTAAJCHWXASGE-ZIAGYGMSSA-N 347.463 1.736 0 40 EDAB C[C@@H](Cn1cccn1)NCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 69413698 QVTDNRFDSBTBFL-KBPBESRZSA-N 344.415 1.510 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2CC(=O)Nc2nnc(C)s2)n1 69491303 SNOVCDSCAJKPHF-GFCCVEGCSA-N 335.437 1.158 0 40 EDAB C[C@@H](c1ccccc1F)N(C(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 69455359 TYEDJPKXOSBMLG-NSHDSACASA-N 331.347 1.428 0 40 EDAB COCCOCCCNC(=O)c1cn(CCN(C)C)c2ccccc12 69416453 FHLPNCFIJQYOKW-UHFFFAOYSA-N 347.459 1.986 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)Nc2cc(C)on2)C(N)=O)cc1 71826853 ZXWFABXHHXVJEK-ZDUSSCGKSA-N 346.387 1.847 0 40 EDAB O=C(CN1CCCS(=O)(=O)CC1)NCc1ccc(Cl)cc1 71893659 YDSIQQWDNQWTHU-UHFFFAOYSA-N 330.837 1.077 0 40 EDAB COc1cc(Cl)c(C)cc1NC(=O)N[C@H]1CCS(=O)(=O)C1 69538274 HADWPQPAGFBHCS-VIFPVBQESA-N 332.809 1.966 0 40 EDAB C[C@H](NC(=O)NCCNC(=O)CC1CCCCC1)[C@H]1CCCO1 69658810 MNKGPVFLHPJXFC-DZGCQCFKSA-N 325.453 1.940 0 40 EDAB O=C([C@@H]1CCCCN1Cc1nc2ccccc2c(=O)[nH]1)N1CCCC1 69653851 GTXUKVSDAGMFNZ-INIZCTEOSA-N 340.427 1.900 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)COCc1ccco1 69698041 ZRPASJNCBWZBMD-RYQLBKOJSA-N 336.432 1.632 0 40 EDAB COc1ccccc1-c1noc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)n1 71864314 IQDXYIYTPCZYCL-ZIAGYGMSSA-N 346.431 1.632 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cc2ccccc2c(=O)[nH]1 71821173 DMIIWTWCVZFSHO-CQSZACIVSA-N 349.394 1.717 0 40 EDAB CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCc2cc(C(C)(C)C)ccc21 71896115 GGWPHUIHUYICJK-HNNXBMFYSA-N 345.443 1.643 0 40 EDAB O=C(Nc1cnn(CCN2CCOCC2)c1)C1(c2ccccc2)CC1 69744089 BOEZFVQTAUHOHW-UHFFFAOYSA-N 340.427 1.886 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(C[C@@H](C)O)CC3)o2)n1 69814124 XZQZBGAJWQKKKT-OAHLLOKOSA-N 346.431 1.280 0 40 EDAB CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC2CCSCC2)CC1=O 69847157 CBWAJDIJXJDDGT-UKRRQHHQSA-N 339.505 1.331 0 40 EDAB COC[C@@H](C)N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1 69810644 BIAZCRNAUSRBIL-OAHLLOKOSA-N 329.444 1.900 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc(C)sc2C)CC1 69980864 DVTVFUDPXLVJLJ-CQSZACIVSA-N 326.462 1.520 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc(-n3cccn3)c(F)c2)C[C@@H](C)O1 69971965 WVLHFCMMDWQHBK-TXEJJXNPSA-N 339.392 1.809 0 40 EDAB Cc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)s1 8770629 VBKVNPWBPFGHIJ-UHFFFAOYSA-N 331.332 1.784 0 40 EDAB CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc[nH]c2=O)c1 71900327 CHCNNIFCPJOOLP-UHFFFAOYSA-N 334.397 1.950 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CCOc2cc(F)ccc21 71911066 HFEKQQHPSNWSCV-UHFFFAOYSA-N 339.326 1.961 0 40 EDAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(CC(F)(F)F)CC1 23990250 XROIUAFGNMIYLR-UHFFFAOYSA-N 340.305 1.243 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)N1CCN(C[C@@H]2CCOC2)CC1 85296159 FKPYNEGMJAKIBP-AWEZNQCLSA-N 342.436 1.477 0 40 EDAB Nc1nc(NC[C@]2(O)CCCc3ccccc32)cc(-n2cccn2)n1 92896888 JTHHKHMEKXSRRL-GOSISDBHSA-N 336.399 1.881 0 40 EDAB CCOC(=O)NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 9026947 DVYVIXIELITVHI-UHFFFAOYSA-N 331.357 1.871 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H](C)c1nc[nH]n1 97086312 PZCAMBHHOPTNOK-JTQLQIEISA-N 326.426 1.314 0 40 EDAB CN(C)c1nc(C[S@](=O)Cc2noc(C(C)(C)C)n2)ns1 97080213 QXDCWJITEZXILP-NRFANRHFSA-N 329.451 1.734 0 40 EDAB COCCN1CCN(Cc2cn(C)nc2-c2cccs2)CC1=O 97051958 AAXVLAHOOIIQSM-UHFFFAOYSA-N 334.445 1.439 0 40 EDAB CN(CC(=O)N1CCCC1)C[C@@H](c1cccs1)N1CCOCC1 72267472 OBSOKZGPPYJHBN-HNNXBMFYSA-N 337.489 1.676 0 40 EDAB O=C(O)C1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 72277063 ZMRLKZDQNIDXSH-UHFFFAOYSA-N 343.383 1.488 0 40 EDAB COc1c([C@@H]2CCCN2c2cc(C)nc3ncnn23)c(C)nn1C 72276568 QWHTUJPTLSYIKV-LBPRGKRZSA-N 327.392 1.825 0 40 EDAB Cc1cnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)s1 72238013 VUSKUHSTYAGZQT-ZIAGYGMSSA-N 331.397 1.989 0 40 EDAB Cc1cn2nc(N3CCC(C(=O)Nc4ncccn4)CC3)sc2n1 95951845 ZLGQTQURGOZCQK-UHFFFAOYSA-N 343.416 1.744 0 40 EDAB Cc1noc([C@@H]2CCCN(Cc3nc4ccccc4[nH]c3=O)C2)n1 97201029 KAPXWXJNLNILDQ-GFCCVEGCSA-N 325.372 1.994 0 40 EDAB Cn1cc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cn1 97308247 ZWLUEPUWVIVGQF-UHFFFAOYSA-N 331.351 1.549 0 40 EDAB Cn1cc(CCNC(=O)Nc2ccc(CN3CCCC3=O)cc2)cn1 97438535 SCCVMHHIYALKDW-UHFFFAOYSA-N 341.415 1.907 0 40 EDAB O=S1(=O)CCCN1CCN[C@H]1CSCCc2ccccc21 89520046 ITLQVCABESEAFU-HNNXBMFYSA-N 326.487 1.642 0 40 EDAB O=C(c1n[nH]c2c1CCC2)N1CCN(C[C@@H](O)c2ccccc2)CC1 75129237 OKDZBFGSIJFBNG-QGZVFWFLSA-N 340.427 1.390 0 40 EDAB CC(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 89954495 MZRMNIDCYBBTCT-HNNXBMFYSA-N 334.420 1.290 0 40 EDAB NC(=O)c1nccnc1C(=O)NCCc1csc2ccccc12 76092672 UCZPZPNKSVCCJC-UHFFFAOYSA-N 326.381 1.763 0 40 EDAB C[C@@]1(c2ccccc2)CC(=O)N(Cc2nnnn2-c2ccccc2)C1=O 179207496 HNGGQISTALJSJI-IBGZPJMESA-N 347.378 1.879 0 40 EDAB Cc1csc(-n2nnc(C(=O)N3CCC4(CC3)OCCO4)c2C)n1 56933373 MJSOQSVHYUAKNP-UHFFFAOYSA-N 349.416 1.320 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4cnc(C)n4C)C[C@H]3C2)cs1 1049008164 JBADNWCDCPOMKW-OKILXGFUSA-N 345.472 1.697 0 40 EDAB COc1ccccc1[C@H](NC(=O)c1ccc(O)nn1)c1nccn1C 44890344 WMCGEXXPDGAMNS-HNNXBMFYSA-N 339.355 1.444 0 40 EDAB C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H]1c1ccc(O)nn1 530076905 UISLXWXBUHCSJQ-FZMZJTMJSA-N 332.404 1.541 0 40 EDAB CCOC(=O)/C=C/[C@@]12COC[C@H](Cc3ccccc3)N1C(=O)OC2 306145857 SQXPYPZJFNMICY-CLGUQGEQSA-N 331.368 1.938 0 40 EDAB CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccccc1Br)C(N)=O 78996485 LIKFHQZIVCVALI-SKDRFNHKSA-N 343.221 1.843 0 40 EDAB Cc1ncsc1CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 78988783 MKUWIFRAGDWEDV-QMMMGPOBSA-N 336.339 1.414 0 40 EDAB CN(C)C(=O)c1ccc([C@H]2CN(CC3(O)CCCCC3)CCO2)nc1 72388112 DMGYMKCUFSVSCH-QGZVFWFLSA-N 347.459 1.852 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)c1cc(C)nc(C2CCN(C)CC2)n1 72369312 WUCXPCKDQGLVOS-MRXNPFEDSA-N 345.491 1.808 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2F)C1 78602804 BLEUWYZYOCRCAU-LBPRGKRZSA-N 341.358 1.130 0 40 EDAB C[C@@H](CC(=O)N[C@H](C)C(=O)N1CCOCC1)Cc1cccc(F)c1 73118561 HTYIXJCBLVWRPA-ZIAGYGMSSA-N 336.407 1.758 0 40 EDAB CNC(=O)CCc1cc(C)nc([C@H]2CCCN(c3cnccn3)C2)n1 72367019 WWGDZXQJNLFGLB-AWEZNQCLSA-N 340.431 1.638 0 40 EDAB CCN(C)C(=O)[C@H]1CSCN1C(=O)c1n[nH]c2c1CCCCC2 190264595 QZAHNOUGORKIMC-CYBMUJFWSA-N 336.461 1.672 0 40 EDAB Cc1n[nH]c(-c2cccc(CNC(=O)COCC(F)(F)F)c2)n1 89999133 PNHKFSDLAGATNE-UHFFFAOYSA-N 328.294 1.975 0 40 EDAB CC(C)[C@@H](C(=O)Nc1ccc(-n2cncn2)nc1)N1CCCC1=O 63987835 UYGZVOATIVXHBN-HNNXBMFYSA-N 328.376 1.248 0 40 EDAB Cn1cc(Cl)cc1C(=O)NC[C@H]1CN(c2nncs2)CCO1 585079601 KUULPHNCUVMAFI-JTQLQIEISA-N 341.824 1.165 0 40 EDAB Cc1noc(C)c1CN1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 96063772 ZCDMPGWUKFCPAU-LSDHHAIUSA-N 329.404 1.419 0 40 EDAB Cc1cccc(C(=O)N2CCn3c(Cn4cncn4)cnc3[C@H]2C)n1 96062107 URKQLAGYBRNVLO-CYBMUJFWSA-N 337.387 1.443 0 40 EDAB CCS(=O)(=O)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 90607961 GIUKLEZNVYHADW-UHFFFAOYSA-N 348.432 1.087 0 40 EDAB O=C(c1ccno1)N1CC[C@H]2OCCN(Cc3ccncc3)[C@@H]2CC1 96249420 HYCIPVXVGBYVPM-HZPDHXFCSA-N 342.399 1.575 0 40 EDAB Cn1nnc2cc(C(=O)NCCNc3ccc4ccccc4n3)cnc21 97374643 VWCODLUSYHRKCY-UHFFFAOYSA-N 347.382 1.753 0 40 EDAB CCOC(=O)c1cnn(C)c1N(C)S(=O)(=O)c1ccc(C)cc1 96319613 RYDGJCFRHDYSIJ-UHFFFAOYSA-N 337.401 1.730 0 40 EDAB O=C(CCS(=O)(=O)c1ccccc1)Nc1cnn([C@@H]2CCOC2)c1 96123136 QLOCQYXPFGNCFM-CQSZACIVSA-N 349.412 1.647 0 40 EDAB CCN1CC[C@]2(CN(S(=O)(=O)Cc3ccccc3)C[C@H]2C)C1=O 96070280 FXOCRBHQSAUUTF-RHSMWYFYSA-N 336.457 1.707 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1 96065355 JKVZLESXRPRYBR-UPJWGTAASA-N 345.428 1.694 0 40 EDAB O=C(c1ccc[nH]1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccncc1 96070091 PRGYHXBBKIIRMZ-MSOLQXFVSA-N 340.427 1.568 0 40 EDAB COc1cc(OC)cc(C2(O)CCN(Cc3cnn(C)c3)CC2)c1 96470242 PMHZHSAWJLQHSH-UHFFFAOYSA-N 331.416 1.921 0 40 EDAB CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 96082768 HXXNFEDRLIVRIE-ULQDDVLXSA-N 333.432 1.166 0 40 EDAB O=C(NCC1CC1)[C@H]1CN(Cc2cccnc2)CC12CCOCC2 96052139 FKZIHCHICGOJMM-QGZVFWFLSA-N 329.444 1.836 0 40 EDAB Cn1cc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cn1 96226503 PCVOEKQNNQEDFY-KRWDZBQOSA-N 328.420 1.082 0 40 EDAB Cc1noc(C)c1CN1C[C@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 96182239 VZDZSGANVOUGMF-IYBDPMFKSA-N 326.400 1.890 0 40 EDAB O=C(Nc1cnn(CC(F)F)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 96408617 KQOWEGSCLJYJLQ-SSDOTTSWSA-N 340.252 1.498 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](NC(=O)C(C)C)CO3)no1 96220663 DAOQRKDUPXKVCD-CYBMUJFWSA-N 335.404 1.519 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 247870972 QQSAUEMANJWCIN-JTQLQIEISA-N 335.360 1.988 0 40 EDAB CC(C)(C)CN1CCC[C@H](N2CCN(CC(F)(F)CO)CC2)C1=O 585116013 DFGUNSGILGGNTK-AWEZNQCLSA-N 347.450 1.269 0 40 EDAB CN(C)[S@](C)(=O)=NC(=O)CN1CCCC[C@H]1C(=O)OC(C)(C)C 585117217 VERKFJFKXLMFAO-DAOPMYJZSA-N 347.481 1.284 0 40 EDAB Cn1cc(C(=O)N2CC3(C2)OCC[C@H]3COCc2ccccn2)cn1 248123717 KVVPMGNEXUAMHR-HNNXBMFYSA-N 342.399 1.263 0 40 EDAB Cc1c(CN2C[C@@H]3OCC(=O)N(Cc4ccccc4)[C@H]3C2)cnn1C 257230648 GDFOFPCWPWZKCW-ROUUACIJSA-N 340.427 1.340 0 40 EDAB Cc1cncc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)c1 257266182 MBXKNXGBXMBRHW-SFHVURJKSA-N 341.415 1.284 0 40 EDAB CN1CCO[C@H](c2nccc(CNC(=O)Cc3cccc(F)c3)n2)C1 257256752 KMTHJMPWPOXSJL-INIZCTEOSA-N 344.390 1.478 0 40 EDAB CC(C)c1nnc(CCC(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)o1 257324363 WOJWWFJTTUJFQA-KBPBESRZSA-N 347.419 1.547 0 40 EDAB Cc1nc(-c2ccnn2C)cc([C@@H]2CCCCN2S(C)(=O)=O)n1 257247459 IZCVAKNXMYLUFX-HNNXBMFYSA-N 335.433 1.672 0 40 EDAB O=S(=O)(c1ccccc1)N1CCOC[C@@H](Cc2cccnc2)C1 299851130 YXGQSGAVSWAELA-INIZCTEOSA-N 332.425 1.961 0 40 EDAB COc1ccc([C@H]2CN(C(C)=O)CCN2Cc2ccn(C)n2)cc1 257265921 MAWWAMDFBXBJBN-GOSISDBHSA-N 328.416 1.834 0 40 EDAB CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C3COC3)CCN21 253406674 UVIZEOYGNUDFPV-INIZCTEOSA-N 329.444 1.306 0 40 EDAB biogenic,in-vitro Cc1cc(-c2nc(C)c[nH]2)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257325233 WSAKDVBUNZNCKA-GFCCVEGCSA-N 335.433 1.623 0 40 EDAB COc1ccccc1NC(=O)C1CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 262845308 SQFOEFBNGRPKGZ-QWHCGFSZSA-N 346.383 1.593 0 40 EDAB CN(C)CCn1ccc(C(=O)Nc2cccc3c(O)nccc23)n1 1624049059 GVJHITLVCAMBOK-UHFFFAOYSA-N 325.372 1.951 0 40 EDAB CC(=O)c1ccc(OS(=O)(=O)C[C@H]2COCC(C)(C)O2)cc1 1615587814 SFIIGNYEMMMQOY-CQSZACIVSA-N 328.386 1.792 0 40 EDAB C[C@H](CCNS(=O)(=O)c1cc(C(=O)O)oc1Cl)CC(=O)O 1616038013 DFLHMWBGTZAKMC-ZCFIWIBFSA-N 339.753 1.410 0 40 EDAB COc1ccc(CNC(=O)N2CC[C@@H](Oc3ncc(F)cn3)C2)cc1 390827710 JICZQTQOWCCPBB-OAHLLOKOSA-N 346.362 1.987 0 40 EDAB Cc1nc2ccccn2c1C(=O)NCc1cn(-c2ccncc2)nn1 390830513 LNPAIQURPVHWOW-UHFFFAOYSA-N 333.355 1.548 0 40 EDAB CCOC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1ccc2c(c1)OCO2 585094920 UMGUHMCTVBHICP-ZDUSSCGKSA-N 343.383 1.752 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 52538154 GBXWYTLZTIRSOO-OAHLLOKOSA-N 347.440 1.748 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCC[C@H](O)C3CC3)CC2=O)cc1C 77107821 QPQPYNAVSOFBRC-RDJZCZTQSA-N 330.428 1.934 0 40 EDAB Cn1cc([C@@H](OC(=O)c2cc(C(N)=O)cn2C)C(F)(F)F)cn1 88814320 ADILCKSMAAPJCJ-SNVBAGLBSA-N 330.266 1.318 0 40 EDAB Cc1ccc(C[C@@H](CNS(=O)(=O)N2CCCC2)C(=O)O)cc1 547571620 YNUIZFWZQJTMHJ-AWEZNQCLSA-N 326.418 1.169 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc1 96380033 YJOGUOHTZFPLNF-UHFFFAOYSA-N 338.429 1.540 0 40 EDAB COCCN1CCN(CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)CC1 42565306 MMZPLXNYAZFHMO-FQEVSTJZSA-N 345.487 1.826 0 40 EDAB C[C@H]1CN(c2cccc(Cl)c2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1 5084219 BNFWYDJSDLQQFC-VIFPVBQESA-N 345.790 1.865 0 40 EDAB CC(C)c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c2n1 5151585 SUDIKEYJBXZUEW-UHFFFAOYSA-N 331.763 1.985 0 40 EDAB COc1ccc(OC)c(CC(=O)N2CCc3c(nc(C)[nH]c3=O)C2)c1 12143004 JVHYZPIWQUBTAS-UHFFFAOYSA-N 343.383 1.223 0 40 EDAB C[C@H](Cn1nnc2ccccc21)NC(=O)c1n[nH]c(=O)c2ccccc12 12183259 JGYMXUJMNMHDQK-LLVKDONJSA-N 348.366 1.486 0 40 EDAB CC1CCN(CC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 12186092 RGFXVZWVDBFVDG-UHFFFAOYSA-N 336.457 1.923 0 40 EDAB O=C(c1ccncc1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 13268189 GSWNCOXBDFQYRD-UHFFFAOYSA-N 334.339 1.233 0 40 EDAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCCCC1 13582929 OETFKFARROIKSI-UHFFFAOYSA-N 326.418 1.717 0 40 EDAB O=C(Nn1cnnc1)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 14405781 QWYSRKHQUFXXPD-UHFFFAOYSA-N 348.577 1.971 0 40 EDAB COc1ccccc1CC(=O)N1CC(Oc2cc(C)oc(=O)c2)C1 206960758 MRSBJJQTUDPPGU-UHFFFAOYSA-N 329.352 1.789 0 40 EDAB CNc1cc(N2CC[C@](O)(CNC(=O)CCC3CCCC3)C2)ncn1 1848356280 NPCNGBTXINXRHC-SFHVURJKSA-N 347.463 1.546 0 40 EDAB Cc1cccn2c(=O)nc(SCC(=O)NC3CCCCC3)nc12 16689547 IAXVLPJIXSMQMI-UHFFFAOYSA-N 332.429 1.939 0 40 EDAB CC(C)NC(=O)NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 6087718 XKLJLINOGHLIHW-UHFFFAOYSA-N 348.428 1.571 0 40 EDAB Cc1nc(C)c(F)c(N2CCN(Cc3ccn(C)c(=O)c3)CC2)n1 1888853266 JUXFLRKJUNHPHZ-UHFFFAOYSA-N 331.395 1.253 0 40 EDAB CN(CC1CN(c2ncnc3ccccc23)C1)S(=O)(=O)C1CC1 1888866711 RBGBCZIMGWPVFY-UHFFFAOYSA-N 332.429 1.490 0 40 EDAB Cc1nc2ccccc2nc1N1CCO[C@H](C(=O)N2CCOCC2)C1 1889136139 VLAWTYVWXRHBJO-INIZCTEOSA-N 342.399 1.002 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(c3ccccn3)C(=O)C2)ccc1F 1260758529 GSCNAMLTRZJVPD-UHFFFAOYSA-N 349.387 1.567 0 40 EDAB COc1ccccc1CC(=O)N1CCC(N2C(=O)COC2=O)CC1 245180665 ZFNUOYFLQWEWEP-UHFFFAOYSA-N 332.356 1.208 0 40 EDAB COc1ccc2nnc(CNC(=O)[C@H](C)Oc3ccccc3F)n2n1 252492751 MVBXQMGYSCRCFV-JTQLQIEISA-N 345.334 1.356 0 40 EDAB Cc1ncnc(C(=O)N2CC3(C[C@@H](NCC4CC4)CS3)C2)c1C 2056223496 OOXAOTOFKLHRDV-CQSZACIVSA-N 332.473 1.793 0 40 EDAB O=C(NCCS(=O)(=O)NCCCc1ccccc1)c1ccccc1 4940926 YLLQPKOPEGRWCX-UHFFFAOYSA-N 346.452 1.969 0 40 EDAB O=C(C1=CCCC1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055772938 AGJUDIUMFWYQAT-UHFFFAOYSA-N 342.443 1.837 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CC[C@@H](Oc2ccncc2)C1 120633355 AERSCCKBCPVSIL-MRXNPFEDSA-N 336.355 1.351 0 40 EDAB O=C1NCCC[C@H]1NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 50634932 KPBGWCHSVLOKMW-CQSZACIVSA-N 344.411 1.664 0 40 EDAB CC(=O)c1ccc(O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 40467476 PLRYEJSDABXLLV-TZMCWYRMSA-N 339.413 1.302 0 40 EDAB COc1cc(CN(C)C(=O)c2nccnc2N)ccc1OC(F)F 40481500 ZWRMUZYOGKFFQO-UHFFFAOYSA-N 338.314 1.941 0 40 EDAB COc1ccc(-c2nnc(CN3CCN(C(=O)C4CC4)CC3)o2)cc1 40477284 PQCWLUULKYAZQQ-UHFFFAOYSA-N 342.399 1.799 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)cc1 40474130 UHGHOJHBRCAURD-CQSZACIVSA-N 332.381 1.588 0 40 EDAB NC(=O)CC1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 40540785 BXZZGZOIFTXACB-UHFFFAOYSA-N 331.420 1.801 0 40 EDAB C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc2c(c1)OCCCO2 32282160 WMLJLXITSWRWFE-JSGCOSHPSA-N 347.415 1.816 0 40 EDAB O=C1NCCN1C1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 52215201 RHTGTRXKXBQTHL-NVXWUHKLSA-N 348.491 1.657 0 40 EDAB Cc1nc2ccccc2nc1CN1CCC(N2CCNC2=O)CC1 52215023 JCXCMLWUBIAODG-UHFFFAOYSA-N 325.416 1.928 0 40 EDAB CCOC(=O)C1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1 21325800 HHGRPSDPFIEEIR-UHFFFAOYSA-N 346.427 1.537 0 40 EDAB COc1ccc(OCC(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)cc1 374628 DYGFJARJMXBQEF-ZDUSSCGKSA-N 332.278 1.933 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(O)cc1)n2CCOC 32833187 AMKZYLBBAYLZPC-UHFFFAOYSA-N 344.371 1.315 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1nncn1C 32934593 FTSZAGCZVPUHHN-QMMMGPOBSA-N 334.323 1.873 0 40 EDAB Cn1c(SCCCN2C(=O)NC(C)(C)C2=O)nnc1-c1ccco1 32915338 OGRKJNKSORNBKN-UHFFFAOYSA-N 349.416 1.888 0 40 EDAB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccco2)Oc2ccccc21 22526498 WXMBNYCBQIZWEN-CQSZACIVSA-N 336.369 1.123 0 40 EDAB O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 22609579 RXPFFXXYQZZZOW-JKSUJKDBSA-N 336.457 1.374 0 40 EDAB O=C(c1cn(Cc2ccccc2)nn1)N1CC[C@](O)(C(F)(F)F)C1 77991392 ADDVZRQUWRQKFD-CQSZACIVSA-N 340.305 1.466 0 40 EDAB Cc1cc(C)n(CCCNC(=O)N2CCC[C@H]2CN2CCOCC2)n1 78951270 CAKXHVGXKWUSLY-KRWDZBQOSA-N 349.479 1.396 0 40 EDAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NC(C1CC1)C1CC1 56400889 FXEJLVRJIRZKIE-UHFFFAOYSA-N 338.411 1.988 0 40 EDAB O=C(c1ccc(F)c(Cl)c1F)N(CCO)CCN1CCOCC1 97138848 QQBKFUSSKACQDE-UHFFFAOYSA-N 348.777 1.385 0 40 EDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1N 6027168 VLZPYYBLDYLHPD-UHFFFAOYSA-N 328.324 1.851 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c1 51161535 NDHIDSHXVRSRDR-CQSZACIVSA-N 336.457 1.983 0 40 EDAB CC1CCN(C(=O)CNc2cc(S(C)(=O)=O)ccc2F)CC1 57648007 MKRFEEHZWZFSAG-UHFFFAOYSA-N 328.409 1.900 0 40 EDAB COc1cccc(CN(C)C(=O)CSc2nnnn2C2CC2)c1 8545145 MBDUVNZAESEWAK-UHFFFAOYSA-N 333.417 1.767 0 40 EDAB COc1ccc(OCCNC(=O)CNC(=O)Cc2ccccc2)cc1 10292535 XZPHWNNOCRWFAQ-UHFFFAOYSA-N 342.395 1.549 0 40 EDAB Cc1[nH]sc(=N)c1C(=O)O[C@H](C)C(=O)NC(=O)Nc1ccccc1 10213560 KHCKSFYKWDMJMF-SECBINFHSA-N 348.384 1.758 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NCCN2CCOCC2)[C@H]1c1ccccc1 57355470 LEAFKWCHHZLMLW-SJLPKXTDSA-N 345.443 1.045 0 40 EDAB C[C@@H](NC(=O)CN1C(=O)NC(C2CC2)(C2CC2)C1=O)c1ccccc1 58295196 ZWOKLIFTEADSID-GFCCVEGCSA-N 341.411 1.974 0 40 EDAB CCOc1ccccc1CNC(=O)CCc1nc(-c2nc[nH]n2)no1 58281335 RGZDDQWHBMIBAC-UHFFFAOYSA-N 342.359 1.502 0 40 EDAB CC[C@@](C)(NC(=O)CCc1nc(-c2cccnc2)no1)C(=O)OC 58268520 DMULDQMSLZVGIE-MRXNPFEDSA-N 332.360 1.522 0 40 EDAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)N[C@H]1CCCCNC1=O 44968140 COCUOYYOEGJSSI-INIZCTEOSA-N 341.415 1.682 0 40 EDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1nc(Cc2ccccc2)no1 44938824 HSPWLQPCBKQXPU-NSHDSACASA-N 349.412 1.242 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Sc1nc(N)c2ccsc2n1 9836134 VHVFPTWYQSMSFH-LURJTMIESA-N 325.419 1.600 0 40 EDAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2cc(C)nc3ncnn23)C1 58311146 GADNXAIUXLXJEC-TZMCWYRMSA-N 330.436 1.954 0 40 EDAB COC(=O)c1ccc(N2CCN(CCS(C)(=O)=O)[C@H](C)C2)cc1 58356759 BHYHKJGMYZFADY-CYBMUJFWSA-N 340.445 1.028 0 40 EDAB Cc1ccccc1C[C@@H](C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 58314582 VFUJUNSSHFNZSI-HIFRSBDPSA-N 341.498 1.963 0 40 EDAB COc1cc(/C=C/C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc(OC)c1 58354833 JGOAQUPSARYUTR-IHVVCDCBSA-N 348.399 1.081 0 40 EDAB C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cc(Cl)cnc1N 95467455 KBEAIDUCDYQHHR-JTQLQIEISA-N 346.884 1.668 0 40 EDAB COc1ccc(/C=C2/NC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC 105327897 YGYWXVNGGTVCJL-OXBCTQFSSA-N 348.424 1.940 0 40 EDAB c1cnc(N2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3CC2)nc1 107803187 LRYSOELNLJUUDQ-IRXDYDNUSA-N 325.416 1.741 0 40 EDAB O=C(NCc1ccc(N2CCCC2)nc1)N[C@@H]1CCCCNC1=O 45667178 OTTCWLUBJSIUNG-CQSZACIVSA-N 331.420 1.150 0 40 EDAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)C=C[C@]3(CO)O2)cc1Cl 100377265 VJIOWASHDGHHIE-UWWPHRKUSA-N 333.771 1.844 0 40 EDAB CC(C)N1C[C@@]23C=C[C@H](O2)[C@H](C(=O)OCc2ccccc2)[C@@H]3C1=O 100634703 YYCUEGFWOZNMGC-YIOZNXECSA-N 327.380 1.920 0 40 EDAB CCO[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN2C1 107197627 NSCIUQZZVXIEOL-UONOGXRCSA-N 328.409 1.309 0 40 EDAB CCn1cnnc1CNC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 47021314 JQNDTGVGKQJFDZ-MRXNPFEDSA-N 339.399 1.878 0 40 EDAB CC(C)(C)c1ncc(C(=O)NCCN2CCCS2(=O)=O)s1 61597396 GKASOBJSINWPOT-UHFFFAOYSA-N 331.463 1.206 0 40 EDAB Cc1cc(NC(=O)C(=O)NCc2cccnc2OC2CCCC2)no1 47998167 ARTCUYIXPILEOY-UHFFFAOYSA-N 344.371 1.954 0 40 EDAB CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 3293600 NBCSLTYDMZRQIY-OAHLLOKOSA-N 341.314 1.191 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(c3ncccn3)C[C@@H]12)NCc1ccco1 107714155 CKCRJBFTINEQIX-FMKPAKJESA-N 342.399 1.475 0 40 EDAB Cc1ccccc1CSCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 3380489 SDXFFWFJAXYDCS-UHFFFAOYSA-N 333.413 1.091 0 40 EDAB C[S@@](=O)c1ncn(C[C@@H](O)COc2cccc(C(F)(F)F)c2)n1 95438967 IIHMLMYXUPKUAP-WYVULQQZSA-N 349.334 1.474 0 40 EDAB CC(C)Oc1ncccc1CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 48301768 KPEZCFBJMQDESF-DYVFJYSZSA-N 349.456 1.939 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccco1 3594811 NXHKPTHWBNAMKZ-GOSISDBHSA-N 339.351 1.289 0 40 EDAB O=C1c2ccccc2-c2n[nH]c(=O)c3ccc(N4CCOCC4)c1c23 9233663 MSTFRFWMXUMCCZ-UHFFFAOYSA-N 333.347 1.971 0 40 EDAB Cc1c(CC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2c(C)c(O)ccc12 4064969 AICIEIJWUGXNPC-HNNXBMFYSA-N 347.367 1.883 0 40 EDAB biogenic C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC(C)(CO)CO)[C@H]3C=C12 4044682 RWZIHELHZIFYEH-LIERCTJHSA-N 337.460 1.634 0 40 EDAB biogenic Cn1nccc1C1CCN([C@@H](C(=O)NC(N)=O)c2ccccc2)CC1 65478570 VFLHKIAOPXMCSS-MRXNPFEDSA-N 341.415 1.536 0 40 EDAB CN(C)C(=O)CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 14021446 LBAATAAWNCZOLM-UHFFFAOYSA-N 349.500 1.863 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@H](C(C)C)n3cncn3)CC2)no1 65551496 WGJZLZINLBIKQM-HNNXBMFYSA-N 332.408 1.116 0 40 EDAB CCCN(CN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 14184666 DKLCEHDMSNJBQZ-LBPRGKRZSA-N 336.413 1.139 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)cn1 24769505 DTBMCLWVEMTNHX-UHFFFAOYSA-N 337.387 1.099 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cc1 72272202 SWIOVYRPQUILAA-INIZCTEOSA-N 327.388 1.392 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)CN2CCCNC2=O)C1 96409535 UGCRWDCXRDDBNS-OAHLLOKOSA-N 348.422 1.634 0 40 EDAB COc1ccc(Br)cc1CN(C)C(=O)CNC(N)=O 9513372 KDFMWFABZKWDBD-UHFFFAOYSA-N 330.182 1.084 0 40 EDAB Cc1nc([C@H]2CCCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)C2)no1 72232258 UEZGANCPPHGYRN-LBPRGKRZSA-N 341.371 1.578 0 40 EDAB COCCN(CCCc1ccccc1)C(=O)[C@H]1CCCN(C(N)=O)C1 68270016 DCKXGNOGZVDRLV-KRWDZBQOSA-N 347.459 1.885 0 40 EDAB CCN(CC)[C@H](CNc1nc2c(cnn2C)c(=O)[nH]1)c1ccco1 71894192 RBQKTFVLDFDQGN-GFCCVEGCSA-N 330.392 1.745 0 40 EDAB CN(C)S(=O)(=O)c1cccc(Cn2cc(-n3cccc3)cn2)c1 81080812 FNRCSIYENCUNJW-UHFFFAOYSA-N 330.413 1.972 0 40 EDAB CN(C)[C@@H](C(=O)N1CCC[C@H](N2CCNC2=O)C1)c1ccccc1 71841623 XZNGOPLDBVIUMO-JKSUJKDBSA-N 330.432 1.306 0 40 EDAB CCOc1ccc(C[C@@H](CNC(=O)c2cnns2)C(N)=O)cc1 71826767 IXTLAFBQIFRVAB-NSHDSACASA-N 334.401 1.011 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2CCCC[C@H]2Cn2cncn2)o1 71878745 MVRDUVJNSGNYJC-HNNXBMFYSA-N 331.420 1.693 0 40 EDAB CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(CCc2ccncc2)CC1 83888296 KKSRZEAVVWNBAH-AWEZNQCLSA-N 332.448 1.072 0 40 EDAB O=C1COc2ccc(C(=O)Cn3nnc(-c4ccccc4)n3)cc2N1 8131911 IQDOWPQAMCZRJC-UHFFFAOYSA-N 335.323 1.554 0 40 EDAB CCOC(=O)c1cnn(CCN2CCN(C3CCCC3)CC2)c1N 70040239 IWJYWNVECMTJIY-UHFFFAOYSA-N 335.452 1.202 0 40 EDAB Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@@]1(C)CC1(Cl)Cl 71905687 UZAPVCHGFXYJQU-CYBMUJFWSA-N 343.214 1.840 0 40 EDAB Cc1nnc2n1CCN(CC(=O)N1CCC[C@H]1c1ccsc1)C2 69486143 UKKGSAVCUQBYSO-AWEZNQCLSA-N 331.445 1.827 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CCCN(c3nccs3)C1)C2 72240565 SOKMHHLTBISXES-KBPBESRZSA-N 345.472 1.996 0 40 EDAB O=C(NC1CC1)[C@H](NCc1nnc2n1CCCC2)c1ccc(F)cc1 72299702 UEGLGDMNQJTEBM-QGZVFWFLSA-N 343.406 1.863 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)CC2)nn1 69510064 AXLQAALAIGZKKQ-CVEARBPZSA-N 348.447 1.408 0 40 EDAB CC(C)CCS(=O)(=O)N1CCN(Cc2noc(C3CC3)n2)CC1 69594584 AHJZPDZKUWWUGH-UHFFFAOYSA-N 342.465 1.441 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(Cc2nc(-c3cccnc3)no2)CC1 69630196 LMLLWYONXGISNS-OAHLLOKOSA-N 345.447 1.656 0 40 EDAB O=C(OCc1cccc2c1OCCO2)[C@H]1CC(=O)N(CC2CC2)C1 69703854 XZJFRBZPLLEVCD-AWEZNQCLSA-N 331.368 1.760 0 40 EDAB CCC(=O)N1CCc2cc(C(=O)N[C@@H](CC(N)=O)C3CC3)ccc21 72297848 ZSQJIQIULGUPLM-AWEZNQCLSA-N 329.400 1.370 0 40 EDAB O=C(c1cccnc1)N(CCCN1CCOCC1)Cc1ccncc1 69818852 YCDQRAZMJSKOEJ-UHFFFAOYSA-N 340.427 1.841 0 40 EDAB O=C(C[S@](=O)Cc1ccccc1)N1CCN(C(=O)C2CC2)CC1 69844236 NRTAGPODBAAISD-QHCPKHFHSA-N 334.441 1.016 0 40 EDAB CC(=O)N1CSC[C@@H]1C(=O)N1CCC(Nc2ccc(C)nn2)CC1 69899572 IRPHVKBDLKHFIM-CQSZACIVSA-N 349.460 1.109 0 40 EDAB CCN1CCN(C2CCN([C@H](C)C(=O)Nc3cc(C)no3)CC2)C1=O 69902138 DCYZMRDUQKUJAW-CYBMUJFWSA-N 349.435 1.532 0 40 EDAB COC[C@@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1ccc(C)cc1)C2 306144327 ZCJVWUGKLKINLL-OAHLLOKOSA-N 338.473 1.726 0 40 EDAB COCc1nc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)cs1 84597413 HRHVLKLSGFLBQW-OAHLLOKOSA-N 338.433 1.194 0 40 EDAB NS(=O)(=O)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 95395125 HZSKHDPXEXXXFZ-LLVKDONJSA-N 326.353 1.140 0 40 EDAB C[C@]1(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)CCCc2ccccc21 95997871 LDUYMXCOOUIGJE-SFHVURJKSA-N 339.399 1.055 0 40 EDAB CCS(=O)(=O)NCC(=O)NC[C@H](C)Oc1ccc(Cl)cc1 89274432 XFCYRBVGZNYGJB-JTQLQIEISA-N 334.825 1.163 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)N1CCCCCC1 9970119 RXHZIUQPJMXMBH-AWEZNQCLSA-N 326.437 1.873 0 40 EDAB CS(=O)(=O)CC1(CNC(=O)C2C3CC4CC(C3)CC2C4)CC1 89484211 CIPSDDHWXQVQIL-UHFFFAOYSA-N 325.474 2.000 0 40 EDAB COc1ccc(CC(=O)N2CCCN(C(=O)c3cc[nH]c3)CC2)cc1 75036144 NCMQOPBMJNBCRW-UHFFFAOYSA-N 341.411 1.941 0 40 EDAB Cc1ccccc1-n1nccc1NC(=O)C(=O)NCc1ccn(C)c1 89697022 WJIBWUXURULXIB-UHFFFAOYSA-N 337.383 1.774 0 40 EDAB C[C@@H](NC(=O)COCC(F)(F)F)c1ccc2c(c1)NC(=O)CO2 89905098 OMQIFQXLTJUDHY-MRVPVSSYSA-N 332.278 1.774 0 40 EDAB CCn1ccnc1CN1CCN(Cc2cccc(C(N)=O)c2)C[C@@H]1C 75584925 AXPCCFUSNSLZOV-HNNXBMFYSA-N 341.459 1.708 0 40 EDAB COc1cc(C)c(S(=O)(=O)CC(=O)NC2CCCC2)cc1OC 69885256 CPQHXKRXUUGIEU-UHFFFAOYSA-N 341.429 1.845 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1NC(C)=O 408592421 KIFBOFAVFGKWFQ-JTQLQIEISA-N 330.406 1.357 0 40 EDAB O=C(NCC[C@@H]1CN(c2ncccn2)Cc2ccnn21)c1cccnc1 306134758 NXMFALKIENKIDH-OAHLLOKOSA-N 349.398 1.450 0 40 EDAB Cc1sc2ncn(CC(=O)N3CCN(C(C)C)CC3)c(=O)c2c1C 25136231 HPFFSJIOKZALOR-UHFFFAOYSA-N 348.472 1.627 0 40 EDAB C[C@H](C(=O)O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 514733883 RLXIGJOUCREYDK-QMMMGPOBSA-N 346.380 1.562 0 40 EDAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1 409135388 UXJDLSJQROSALD-GXDHUFHOSA-N 346.408 1.890 0 40 EDAB Cc1nnc(-c2ccccc2NC(=O)c2nccnc2C(=O)O)o1 71287440 MNAJICGEXCTAFK-UHFFFAOYSA-N 325.284 1.786 0 40 EDAB CS(=O)(=O)NCCC(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 562711287 DLXNCSBJHPWLSD-OAHLLOKOSA-N 336.457 1.722 0 40 EDAB CCN(CC)S(=O)(=O)CC(=O)NC(C)(C)c1cccc(F)c1 73833685 QKJFEALJFBCBKV-UHFFFAOYSA-N 330.425 1.849 0 40 EDAB O=C(CCn1ncc2c(Cl)cccc21)NCCN1CCOCC1 40769122 LPVZHUBXFDOZJG-UHFFFAOYSA-N 336.823 1.528 0 40 EDAB O=C(NCCN1Cc2cc(Cl)ccc2OCC1=O)c1cc[nH]n1 225772644 UTFSKJIXHQJUNF-UHFFFAOYSA-N 334.763 1.214 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)NCC(=O)Nc1ccccc1 47898538 ABBYEKKMDCGFAO-UHFFFAOYSA-N 326.352 1.755 0 40 EDAB COCCNC(=O)[C@@H](C)n1nc(-c2ccc(OC)cc2)ccc1=O 49058719 ZKCQVPWPWPXOCM-GFCCVEGCSA-N 331.372 1.243 0 40 EDAB CN1CC(=O)N(C(=O)CSc2ncccn2)c2ccccc2C1=O 40385997 PABORBKQSZERNA-UHFFFAOYSA-N 342.380 1.214 0 40 EDAB Cc1cc(F)ccc1C(=O)OCCc1c(C)[nH]c2ncnn2c1=O 131001465 BXXDRESVYMUUIZ-UHFFFAOYSA-N 330.319 1.573 0 40 EDAB COCC(=O)N1CCC(c2cc(C(=O)NCC(F)(F)F)[nH]n2)CC1 225563539 HQSIDEFWEZVFDL-UHFFFAOYSA-N 348.325 1.054 0 40 EDAB CC(C)(C)N1C(=O)C[C@@H](NCC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 225420782 HMIYCSQGPMSLCA-DOMZBBRYSA-N 341.814 1.995 0 40 EDAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCOC)ccc21 225721699 FFRULOAZQOKBFD-UHFFFAOYSA-N 344.458 1.788 0 40 EDAB CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc3nc(O)[nH]c3c2)CC1 576293618 ICMHZYHJHXLVDX-LLVKDONJSA-N 337.401 1.308 0 40 EDAB CCc1n[nH]c(=O)c(C(=O)N(C)Cc2ccc(C(=O)O)cc2)c1CC 190919661 ATPHEQLYJPRKPG-UHFFFAOYSA-N 343.383 1.865 0 40 EDAB O[C@H](COc1ccccc1)CN1CCN(c2ncncc2Cl)CC1 195566289 NTOSYHIQTAAMAX-AWEZNQCLSA-N 348.834 1.692 0 40 EDAB Cc1csc(C(=O)O)c1S(=O)(=O)NCCc1cnn(C)c1 226478061 IMSMKPYJQUHDAM-UHFFFAOYSA-N 329.403 1.009 0 40 EDAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3cnccn3)n2)cc1OC 95534251 KWFUFBWABJXJGL-CQSZACIVSA-N 326.360 1.717 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)C1 96407592 OYQGVNRBABENPZ-HIFRSBDPSA-N 348.422 1.701 0 40 EDAB CC(C)c1ncsc1C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 334105276 IOEIYNWQCJYDGF-MNOVXSKESA-N 345.490 1.714 0 40 EDAB Cc1noc(CN2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)n1 96415338 DZBIZAJFUXJRGD-JKSUJKDBSA-N 341.415 1.761 0 40 EDAB COCCC(=O)N1CCC2(CN(Cc3ccc(OC)c(F)c3)C2)C1 96202428 FVSYNLXDBJMKDP-UHFFFAOYSA-N 336.407 1.905 0 40 EDAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2cnn(C)c2)N(C)C)c1 96410785 MICJCESFIQDKBQ-MRXNPFEDSA-N 343.431 1.395 0 40 EDAB CN1CCN(C)[C@H](CNS(=O)(=O)c2ccccc2C(C)(C)C)C1 96427986 YWMQOOIFXUKRPW-CQSZACIVSA-N 339.505 1.508 0 40 EDAB O=C(NCc1ccco1)[C@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21 96040757 KYHMZKCKUOEEGI-NXHRZFHOSA-N 341.411 1.685 0 40 EDAB c1cnc(N2C[C@@H](OCCCn3cccn3)[C@H]3OCCC[C@H]32)nc1 96042569 KEWNRWDVSZEVBO-OAGGEKHMSA-N 329.404 1.516 0 40 EDAB C[C@@H]1CN=C(N2CCN(C(=O)c3cccc4cn[nH]c34)CC2)S1 96426939 IFAVEHLADXEBGO-LLVKDONJSA-N 329.429 1.812 0 40 EDAB CCc1cnccc1C(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 96493694 OLYCXJKBOJYSKY-INIZCTEOSA-N 330.476 1.744 0 40 EDAB Cn1cccc1C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 96049160 MBXVRGHIQYHSHF-GOSISDBHSA-N 341.415 1.327 0 40 EDAB CN1CC[C@H](N2CC[C@H](Oc3cncc(Br)c3)C2)C1=O 585116348 RKGOGPRGBJJYCL-AAEUAGOBSA-N 340.221 1.528 0 40 EDAB NC(=O)c1cc(N2CC[C@@](O)(c3ccc(F)cc3)C2)nc(Cl)n1 585132987 LJXPJUNIGPIKFZ-HNNXBMFYSA-N 336.754 1.466 0 40 EDAB NS(=O)(=O)c1ccc(SCC(=O)NCC[C@H]2CCCO2)cc1 585135300 APGPSZQAYJFTMQ-LLVKDONJSA-N 344.458 1.111 0 40 EDAB Cc1cc(C(=O)N(C)CCn2cnc3c(N)ncnc32)cc(C)c1F 585128171 UPSIOFOUUSLHTE-UHFFFAOYSA-N 342.378 1.937 0 40 EDAB Cn1ccc(C(=O)N2CC3(C[C@@H](Oc4cccnc4)CS3)C2)n1 248093812 CRGDGXAYUDGBCF-CYBMUJFWSA-N 330.413 1.594 0 40 EDAB Cc1cccc(CN2CC3(C[C@@H](OCC(=O)N(C)C)CCO3)C2)n1 248014761 QCZHKYBUFOVFMZ-INIZCTEOSA-N 333.432 1.228 0 40 EDAB CCCS(=O)(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2ccco2)C1 249696148 SBDOBIGJFWVDHN-ZFWWWQNUSA-N 326.418 1.348 0 40 EDAB CC(C)(C)c1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCC2)n1 604382060 BNVWCKYTTPOFFW-QBPKDAKJSA-N 333.476 1.817 0 40 EDAB biogenic,in-vitro CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1OC 257274490 NLGXRIQQVACRNA-QAPCUYQASA-N 347.459 1.673 0 40 EDAB Nc1nc(N)c2c(n1)O[C@@]1(CCCN(Cc3ncccc3F)CC1)C2 257205140 AXVVCLPSDPWKAS-QGZVFWFLSA-N 344.394 1.535 0 40 EDAB CN(C)Cc1cncc([C@H]2CCCN2S(=O)(=O)c2cccnc2)n1 257264896 LWKYPPHENFBMAT-MRXNPFEDSA-N 347.444 1.459 0 40 EDAB O=C(c1ccc2[nH]nnc2c1)N1CCOC[C@H](Cc2ccncn2)C1 257311416 UJIHSVMZJJXKAK-GFCCVEGCSA-N 338.371 1.079 0 40 EDAB CC(C)N1CCC(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)CC1 257320748 VYKOMYQULZDVBS-BRWVUGGUSA-N 334.464 1.574 0 40 EDAB Cn1cc(CN2CCO[C@@H](c3cccc(-c4cncnc4)n3)C2)cn1 257207455 BHVLHTMOKXACHB-GOSISDBHSA-N 336.399 1.846 0 40 EDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(C(=O)c2ncccn2)C3)n1 253477335 FFXMBXQQJKTTAI-CYBMUJFWSA-N 341.371 1.028 0 40 EDAB Cc1ncncc1C(=O)N1C[C@@H](O)[C@H](N(C)Cc2ccc(F)cc2)C1 257289872 QANOKSIMJUSYSX-IAGOWNOFSA-N 344.390 1.241 0 40 EDAB COC(=O)c1c(NS(=O)(=O)c2cccc(F)c2)nc2n1CCC2 1615549942 JRRUUBQQDBYEAQ-UHFFFAOYSA-N 339.348 1.556 0 40 EDAB C[C@@H](O)c1cn(CC(=O)N2CCc3ccccc3C(C)(C)C2)nn1 1616043563 FKDZQSQKWOLYPU-CYBMUJFWSA-N 328.416 1.694 0 40 EDAB O=C(O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)nc1 647742623 DCRIGECJKLPRPY-HNNXBMFYSA-N 345.399 1.691 0 40 EDAB Cc1cncc(C(=O)N2CCn3cc(CC(=O)N(C)C)nc3[C@H]2C)c1 585096324 INPJHTUOWXEEJP-CYBMUJFWSA-N 341.415 1.434 0 40 EDAB Cc1ccccc1CN1CCC(CN(C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1 585292230 ZDVRMXLAMFUGOW-AQNXPRMDSA-N 348.487 1.259 0 40 EDAB COc1ccnc(N2C[C@H]3CN(C(=O)c4ccncc4F)C[C@H]3C2)n1 1065983831 QLDYNPUPGZWSBQ-TXEJJXNPSA-N 343.362 1.228 0 40 EDAB C[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc2c(c1)CCC2 52492000 SJQOIOIOYXGIRT-IAQYHMDHSA-N 336.409 1.724 0 40 EDAB C[C@@H](C(N)=O)N1CCN(CCOc2ccc(F)cc2Cl)CC1 91684915 DUZHJHUJIOCMOV-NSHDSACASA-N 329.803 1.349 0 40 EDAB CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2c1ncc(Br)cn1 95972404 CNZHESCZLMAQOR-JHJVBQTASA-N 341.253 1.927 0 40 EDAB CC[C@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(OC)cc1 585163275 YVNCKLHDKGPRGM-NSHDSACASA-N 343.387 1.327 0 40 EDAB Cn1cnnc1[C@@H]1CN(CC2(c3ccc4c(c3)OCO4)CC2)CCO1 1615605390 MOJJRGAEHPUAMI-INIZCTEOSA-N 342.399 1.649 0 40 EDAB CN(C)Cc1cc([C@H]2CCCN2C(=O)c2cccnc2N)nn1C 19710077 JSOADQXCBRURAV-OAHLLOKOSA-N 328.420 1.436 0 40 EDAB COC(C)(C)c1nc(-c2nn(C)cc2I)no1 1616039300 ZFBNVOSLLIAYAH-UHFFFAOYSA-N 348.144 1.956 0 40 EDAB CC(=O)c1ccc(NC(=O)CN2CCN(c3nccn3C)CC2)cc1 11695738 GHLVZJXSXOBFKU-UHFFFAOYSA-N 341.415 1.383 0 40 EDAB Cc1c(Cl)cccc1-n1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 12374117 YFRKWTDGNDRQRM-UHFFFAOYSA-N 343.774 1.935 0 40 EDAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 12811328 DUDKPPYONTUYJG-CYBMUJFWSA-N 325.430 1.801 0 40 EDAB COc1ccccc1N1C[C@H](NC(=O)CC[C@H]2CCCO2)CC1=O 19570991 BCWGFFHEKBUIRR-ZIAGYGMSSA-N 332.400 1.876 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 5153556 AMNDWJWSRFSJCE-LBPRGKRZSA-N 334.441 1.943 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCCC3)[C@@H]1O 643586168 BRZGBODNCJQTIY-LMMKCTJWSA-N 333.428 1.341 0 40 EDAB Cc1n[nH]cc1C(=O)N1C[C@@H](O)[C@@]2(C[C@@H](c3ccccc3)CO2)C1 643585953 HAHIHBBTMDOWGM-QGPMSJSTSA-N 327.384 1.478 0 40 EDAB Cc1cc(N2CCO[C@@H](C(=O)N3CCSCC3)C2)nc(C2CC2)n1 1888834300 XLRLIAYCQKFIGF-CQSZACIVSA-N 348.472 1.443 0 40 EDAB Cc1noc(C)c1CC(=O)NC[C@@H](O)c1ccc(-n2cccn2)cc1 1888890987 LCGBAFNLBDIVFU-QGZVFWFLSA-N 340.383 1.869 0 40 EDAB COc1ccc(S(=O)(=O)N2CC(Oc3cccnc3)C2)cc1F 238861202 KRXXOSNQWRHLHK-UHFFFAOYSA-N 338.360 1.681 0 40 EDAB CC(=O)N1N=C(C)C[C@]12CC[C@@H]1CN(C(=O)Cc3nc(C)no3)C[C@H]12 1565556327 ROLGLIOGQGTHED-CPUCHLNUSA-N 345.403 1.156 0 40 EDAB O=C(CC1(O)CCC1)N1CCc2ccc(C(=O)N3CCCC3)n2CC1 1565547557 KUPGECHCTNEZDR-UHFFFAOYSA-N 345.443 1.414 0 40 EDAB O=C([C@H]1[C@H]2COC[C@H]21)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 1565548674 HDFNOSRASXAMHV-JQBKIFNJSA-N 330.384 1.111 0 40 EDAB O=C(NCCc1ccccc1)C(=O)NC[C@H]1COC2(CCCC2)O1 5353316 JNGOPBTWJAJCLZ-HNNXBMFYSA-N 332.400 1.147 0 40 EDAB CCOc1ccnc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C 9571918 FIJNUKWEHFKELA-UHFFFAOYSA-N 329.331 1.681 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@@H]3[C@@H](Cn4cccn4)CC[C@H]32)cn1 2055729684 WBGQVUSNJJKKGN-BRWVUGGUSA-N 326.400 1.906 0 40 EDAB Cc1cc(CN2CCC[C@](C(=O)N(C)C)(n3cccn3)C2)n(C)n1 2055771764 VXIXXEOOYUCDQC-KRWDZBQOSA-N 330.436 1.005 0 40 EDAB CC(=O)Nc1ccc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 100220160 VWVXWMBAXJBMSV-SZOQZIPDSA-N 328.324 1.016 0 40 EDAB COc1cncc(O[C@H]2CCN(S(=O)(=O)C3CCCCC3)C2)n1 225397257 BJDJEQMKZCUFQY-LBPRGKRZSA-N 341.433 1.601 0 40 EDAB CC(=O)Nc1nc(CC(=O)N2CCN(c3ccccn3)CC2)cs1 44174720 CDFHCLLSVRFYLW-UHFFFAOYSA-N 345.428 1.388 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CC(N2C(=O)CSC2=O)C1 575610267 GJGZAOFFZSXNTD-UHFFFAOYSA-N 340.788 1.868 0 40 EDAB C[C@@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1cccs1 75155927 IWVXXEWFEKALDT-MRXNPFEDSA-N 336.388 1.527 0 40 EDAB Cc1ccc(-c2nc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cs2)o1 40516216 CRUUPBKSDKHHFQ-SNVBAGLBSA-N 340.426 1.876 0 40 EDAB Cc1ccc(CN(C)C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102700579 WUMQXQFFRKHMMQ-IYBDPMFKSA-N 326.396 1.905 0 40 EDAB COCC(=O)N1CCN(Cc2nc3cc(Cl)ccc3n2C)CC1 52934498 ACQVIGCTXPWJOJ-UHFFFAOYSA-N 336.823 1.517 0 40 EDAB O=C(NCCc1ccccn1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 41687941 BJTBSWSRCFMICU-OAHLLOKOSA-N 330.432 1.668 0 40 EDAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCO[C@H]2CCC[C@H]21 53372904 XMQCETDLRLTBJN-CABCVRRESA-N 343.387 1.032 0 40 EDAB O=S(=O)(N1CCCCCC1)N1CCN(Cc2ccccn2)CC1 22413112 HUKAVSMPTIPDJK-UHFFFAOYSA-N 338.477 1.320 0 40 EDAB Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)NC(=O)[C@H]32)cc1 104264800 MIEJUNNYFIZEEM-GUBZILKMSA-N 332.406 1.624 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccccc1OCC(N)=O)c1cccs1 54456316 LEBIUXXHSHHIDK-ZDUSSCGKSA-N 347.440 1.645 0 40 EDAB O=S1(=O)CC[C@@H](NCc2ccc(OCc3cscn3)cc2)C1 42734661 WNXZNVFIOAKSAB-CYBMUJFWSA-N 338.454 1.999 0 40 EDAB NC(=O)Cn1cc(NC(=O)NCc2ncc(-c3ccccc3)o2)cn1 47692858 OYKUWFRRPUOAAY-UHFFFAOYSA-N 340.343 1.345 0 40 EDAB CCN(CC)C(=O)CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 106641997 WTCHTHISAICVKQ-WBVHZDCISA-N 346.475 1.990 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)C[C@@H]1C 106868077 VJOPOPWCDPIDPF-STQMWFEESA-N 338.452 1.298 0 40 EDAB O[C@@H](COc1ccc2c(c1)OCO2)CN1CCC[C@@H]1Cn1cccn1 106843484 VPIQXNOZROLQGN-HUUCEWRRSA-N 345.399 1.516 0 40 EDAB CCSC(SCC)[C@H](SCC)[C@@H](O)[C@H](O)[C@H](O)CO 4946660 HKZRBEFUFOTRGP-CHWFTXMASA-N 330.537 1.015 0 40 EDAB CNC(=O)COc1ccc(CN[C@H](C(N)=O)c2ccccc2)cc1 56205330 LSIAKSDDXIROKR-KRWDZBQOSA-N 327.384 1.128 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CCSc2nnnn2C)cc1C 56601694 NDTYYYJDFQTRPW-UHFFFAOYSA-N 334.405 1.598 0 40 EDAB C[C@H]1CN([C@H](C)CNC(=O)NCc2nnc3ccccn23)C[C@@H](C)O1 107573599 COGZEMNBEXJYOL-MCIONIFRSA-N 346.435 1.026 0 40 EDAB Cc1ccc(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101664037 NWQIEGJKQLJRSK-DARAHFNDSA-N 339.395 1.924 0 40 EDAB aggregator COCCCNC(=O)c1c(O)[nH]c2cc(OC)c(OC)cc2c1=O 8969950 CMIHLQOIRSFVNI-UHFFFAOYSA-N 336.344 1.017 0 40 EDAB biogenic CCCCN1C(=O)[C@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 8995921 NUANHMFWMWBFGM-ADVCWENDSA-N 341.411 1.535 0 40 EDAB COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1nc(Cc2ccccc2)no1 95994237 DGKXZBDDDKIWTB-CABCVRRESA-N 345.399 1.813 0 40 EDAB CN(C)S(=O)(=O)N(C)[C@H](CO)c1cccc(Br)c1 95980884 NMWIJLZNFSWFPJ-LLVKDONJSA-N 337.239 1.221 0 40 EDAB CN(Cc1cnn(C)c1)C[C@H](O)COCc1ccc2c(c1)OCO2 44890590 AOQBZEXDHGJWNO-HNNXBMFYSA-N 333.388 1.158 0 40 EDAB CCn1nc(C(=O)NC2(C(=O)OC)CCCC2)c2ccccc2c1=O 44841257 OZGNIBHKIBZYTF-UHFFFAOYSA-N 343.383 1.632 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)CC(=O)N1CCCC1 58281749 HWCCGQILCMGRTL-UHFFFAOYSA-N 345.428 1.603 0 40 EDAB O=C(c1cn2cccnc2n1)N1CCN(C(=O)N2CCCCC2)CC1 44974452 ROUAVAPKWSIMIY-UHFFFAOYSA-N 342.403 1.093 0 40 EDAB O=C(NCc1ccnc(-n2cccn2)c1)c1cc2c(cc1O)OCO2 44977324 RMIUVCJADHGKHK-UHFFFAOYSA-N 338.323 1.632 0 40 EDAB CN1C[C@H](NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1=O 58392381 KCIBNZAMHGFKTO-MRVPVSSYSA-N 338.307 1.094 0 40 EDAB COC(=O)c1ccc(C)c(NCCn2nc3ccccn3c2=O)c1 12545427 YVLVNPRUEVSRQG-UHFFFAOYSA-N 326.356 1.703 0 40 EDAB O=S1(=O)CCC(S(=O)(=O)NCc2cc3ccccc3[nH]2)CC1 58342402 PMYJHJZSQRDXAG-UHFFFAOYSA-N 342.442 1.165 0 40 EDAB O=C1C[C@H](NC(=O)N2CCC[C@H](CO)C2)CN1Cc1ccccc1 72274351 XIPFJPRQQAYXMD-HOTGVXAUSA-N 331.416 1.201 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1cccc(-n3cnnn3)c1)C2 72279873 GYDWTCAFSWJXQU-UHFFFAOYSA-N 338.375 1.033 0 40 EDAB CCCn1nc(C(=O)N[C@H](CC(=O)O)c2ccc(C)cc2)ccc1=O 72277074 CROUTCPMGIQEQZ-OAHLLOKOSA-N 343.383 1.908 0 40 EDAB CCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(C)on1 12028770 WAOWFKIOOHNXET-ZDUSSCGKSA-N 337.401 1.472 0 40 EDAB COc1cc(C)c([C@@H](C)NC(=O)N2CC[C@@H](C(N)=O)C2)cc1OC 46614053 CHQUAWUVZUTJMF-VXGBXAGGSA-N 335.404 1.590 0 40 EDAB CCC[C@@](C)(NS(=O)(=O)c1cc(OC)ccc1OC)C(=O)OC 46800024 CRXSPVBQJYBYCR-OAHLLOKOSA-N 345.417 1.714 0 40 EDAB CN(C)c1cc(C(=O)NCCCc2n[nH]c(=O)[nH]2)c2ccccc2n1 97114122 OKLUCWNVSVPFQZ-UHFFFAOYSA-N 340.387 1.075 0 40 EDAB O=C(NCCNc1cnccn1)[C@H]1CC(=O)N(c2ccccc2)C1 47492718 QQEZQMKQDAXQDE-ZDUSSCGKSA-N 325.372 1.058 0 40 EDAB Cc1n[nH]c(=O)c(C(=O)NCCNc2ccc3ccccc3n2)c1C 72304130 IEJSXHCFGWSFAL-UHFFFAOYSA-N 337.383 1.777 0 40 EDAB Cc1ccccc1N(CCCC(=O)N1CCOCC1)S(C)(=O)=O 113967366 BBXSVLBULFQFEX-UHFFFAOYSA-N 340.445 1.400 0 40 EDAB O=S(=O)(c1cccnc1)N1CCC(c2nnc3n2CCC3)CC1 95953933 WTRHIVHLWFYODH-UHFFFAOYSA-N 333.417 1.188 0 40 EDAB O=C(Cn1ncc(=O)c2ccccc21)NCCCOc1ccccc1 48234620 PZRJNZJKBORYOD-UHFFFAOYSA-N 337.379 1.982 0 40 EDAB COc1cncc(N2CCN(C(=O)[C@H](C)c3ccccc3)CC2)n1 97467195 PHKLLXLCKNSPPJ-CQSZACIVSA-N 326.400 1.938 0 40 EDAB COC(=O)C1(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 95944612 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O=C(NC[C@H]1COCCO1)[C@H]1CCCN1C(=O)NC1CCCCC1 65657031 KRRQXWKZYRRGGI-LSDHHAIUSA-N 339.436 1.025 0 40 EDAB CCc1ccc(C(=O)N2CCN(CCN3C(=O)CCC3=O)CC2)cc1 65624856 PNUAWSBAJIQNKS-UHFFFAOYSA-N 343.427 1.156 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)NC(=O)NCc1ccccc1 14124172 LPNKAMNKJDNWEI-UHFFFAOYSA-N 336.351 1.423 0 40 EDAB Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)c(=O)[nH]1 95440512 QSNRBNREBHWCRR-ZBFHGGJFSA-N 343.358 1.524 0 40 EDAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)NC[C@H](O)c2ccccc2)cc1 67839774 SQVQTPALTGUPEG-KRWDZBQOSA-N 337.379 1.937 0 40 EDAB O=c1[nH]c(NC[C@@H]([C@H]2CCOC2)N2CCOCC2)nc2ccccc12 97994996 LRRAKOSRXBWUNL-BBRMVZONSA-N 344.415 1.072 0 40 EDAB CN(Cc1ccc(Br)s1)C(=O)c1ccc(=O)[nH]n1 7990288 DPVUHJDMOOISGH-UHFFFAOYSA-N 328.191 1.866 0 40 EDAB CCOc1ccccc1C1CCN(CC(=O)N2CCNC(=O)C2)CC1 71842048 MOLVPAAKMVEZNH-UHFFFAOYSA-N 345.443 1.223 0 40 EDAB COC(=O)CCN(C)C(=O)[C@H]1CSCN1C(=O)CC(C)(C)C 71880159 CCIFFRQESFVSKL-LLVKDONJSA-N 330.450 1.346 0 40 EDAB O=C(CN1CCO[C@H](Cn2cccn2)C1)NCCc1ccsc1 69392476 GGTDPOGMTJSGLO-HNNXBMFYSA-N 334.445 1.004 0 40 EDAB CN(C)S(=O)(=O)c1ccc2c(c1)N(CCc1ccncc1)CC2 71909073 MXMQSEZYEMKMTD-UHFFFAOYSA-N 331.441 1.937 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCc1ccc2c(c1)OCCO2 69414221 BXGBLIOCFWISFZ-OLZOCXBDSA-N 349.431 1.603 0 40 EDAB O=c1[nH]c(CCN2CCO[C@@H](Cn3cccn3)C2)nc2ccccc12 69437095 YRWUZEMELZZLOT-CQSZACIVSA-N 339.399 1.063 0 40 EDAB O=C(CCN1CCC[C@H]1Cn1cncn1)N1CCc2ccccc21 69600844 KZVGBXQYYOGVEK-INIZCTEOSA-N 325.416 1.722 0 40 EDAB NC(=O)CN(Cc1ccccc1)C(=O)COCCOc1ccccc1 69737902 IVLDKDJNDWDXSF-UHFFFAOYSA-N 342.395 1.596 0 40 EDAB CC(C)[C@@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O 69704176 CNPSOXJJTHOVMW-SFIVQVFOSA-N 349.475 1.335 0 40 EDAB CCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1ccnn1C(C)C)CC2 69843141 BFJSUHKOCLHHNU-STQMWFEESA-N 345.451 1.550 0 40 EDAB CO[C@H]1CCCN(C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)C1 69918661 KIPGXZMBJRVYFO-QWHCGFSZSA-N 328.478 1.962 0 40 EDAB Cc1ccc(NCCNC(=O)c2cnn(Cc3ccccc3)c2)nn1 69918262 QJPCZPQMZSHSGC-UHFFFAOYSA-N 336.399 1.872 0 40 EDAB COCCN(CCOC)C(=O)Cc1csc(NC(=O)C2CC2)n1 9815649 VFUJAKSRPNGPGU-UHFFFAOYSA-N 341.433 1.156 0 40 EDAB COc1ccc2nc(NC(=O)CN3CCC(C(N)=O)CC3)sc2c1 8742526 NAIRFNVQFOYVIN-UHFFFAOYSA-N 348.428 1.441 0 40 EDAB COC(=O)c1cccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 8778135 NSHWDGLPXCDZOJ-LRDDRELGSA-N 334.397 1.866 0 40 EDAB Cc1cc(NC(=O)CN2CCCC[C@H]2C(N)=O)ccc1N1CCCC1 8710997 YTNMFVKZWKTTTB-KRWDZBQOSA-N 344.459 1.874 0 40 EDAB CCS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCn3ccnc3C2)c1 89274655 LHGRNNQOHBCWSJ-GFCCVEGCSA-N 333.413 1.878 0 40 EDAB COc1ccc(CNC(=O)CCc2nnc3ccc(OC)nn23)cc1 71285350 VJMJLZLGQRHESN-UHFFFAOYSA-N 341.371 1.391 0 40 EDAB Cc1cc(C(=O)OCCCn2ccccc2=O)c2cnn(C)c2n1 97039076 OXOWXJPUMXUVHR-UHFFFAOYSA-N 326.356 1.686 0 40 EDAB Cc1ccc(CC(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)cn1 75139711 BOEJOJGCNAFJQM-UHFFFAOYSA-N 337.423 1.978 0 40 EDAB CNC(=O)NC(=O)COC(=O)c1cc(OC(C)(C)C)c(F)cc1N 75146469 CJKLHHLXDSQCJU-UHFFFAOYSA-N 341.339 1.198 0 40 EDAB O=S(=O)(Cc1ccon1)N1CCN(c2ccncc2Cl)CC1 89884905 SWJCPAOVHULERJ-UHFFFAOYSA-N 342.808 1.375 0 40 EDAB C[C@H](Cc1ccccc1Br)NC(=O)[C@H]1CN(C)CCO1 89904177 GRWRBULQZYQHFD-BXUZGUMPSA-N 341.249 1.827 0 40 EDAB COc1ccc(F)cc1CN1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 76055776 UBDIFEDVGZYHBE-KDOFPFPSSA-N 349.450 1.819 0 40 EDAB CC1(C)Cc2nc3nc(O)n(Cc4ccco4)c(=O)c3cc2CO1 21798323 ZROATCQFIUZSDQ-UHFFFAOYSA-N 327.340 1.990 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NCC(C)C 408606983 MTUYXYMEQBJXAS-JTQLQIEISA-N 348.852 1.788 0 40 EDAB O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCC[C@@H](O)C2)c[nH]1 521396892 RHLLTLWDKOAORN-CYBMUJFWSA-N 349.412 1.412 0 40 EDAB Cc1nccn1C[C@@H](C)CNC(=O)c1nn(C)c2ccccc2c1=O 524208320 ANPDUPZYOSUAHB-LBPRGKRZSA-N 339.399 1.505 0 40 EDAB COc1ccccc1OCCNC(=O)c1ccc2nnc(O)n2c1 535674360 GCNLGCOCNNPAFP-UHFFFAOYSA-N 328.328 1.252 0 40 EDAB CCc1ncncc1C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1 538492291 DJRLAZYUDORGPT-UHFFFAOYSA-N 333.436 1.741 0 40 EDAB Cc1cc(C(=O)NCc2cccnc2)nc(C2CCN(C)CC2)n1 72387108 QNVZBUDUOFRVIK-UHFFFAOYSA-N 325.416 1.919 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)COc2ccccc2)C1 78076983 GPRMDLWCTPWULE-LBPRGKRZSA-N 344.333 1.983 0 40 EDAB O=C(CN(Cc1cccnc1)C[C@H]1CCCO1)NCc1ccccn1 79099734 PWLKGIKDTBYICN-GOSISDBHSA-N 340.427 1.774 0 40 EDAB CN(CC(=O)N(Cc1ccc(F)cc1)CC1CC1)S(C)(=O)=O 79360323 ZXOJWSGYCHTLHU-UHFFFAOYSA-N 328.409 1.456 0 40 EDAB CC(C)Oc1cccc(C(=O)NC2(c3ncon3)CCOCC2)n1 129573578 JSHPJARJVOCUBD-UHFFFAOYSA-N 332.360 1.688 0 40 EDAB CCn1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)n1 72237854 ZUPOSBOJGFHJNS-HZPDHXFCSA-N 328.372 1.440 0 40 EDAB O=C1CCSC[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N1 75171501 GYTLWTTZSHHWAM-LLVKDONJSA-N 348.346 1.823 0 40 EDAB NC(=O)NCCCCNc1ccccc1S(=O)(=O)C(F)(F)F 76017636 BUUFOAXQTQSQNM-UHFFFAOYSA-N 339.339 1.841 0 40 EDAB O=C1CCSC[C@H](C(=O)NCCCn2ccc3ccccc32)N1 227115495 DOEYYPUMLMHZIH-CQSZACIVSA-N 331.441 1.769 0 40 EDAB Cc1cc(C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)no1 225779687 VTWQEEOIWDOHOC-UHFFFAOYSA-N 344.758 1.843 0 40 EDAB CN1CCN(c2ncc(NC(=O)COc3ccccc3)cn2)CC1 224253160 NSDRYPIJKLYATE-UHFFFAOYSA-N 327.388 1.246 0 40 EDAB O=C(CSc1nnc2ccccn12)N1CCCC[C@@]2(CCNC2)C1 1580565447 AQYSSHMKOBZAGS-KRWDZBQOSA-N 345.472 1.814 0 40 EDAB COc1ccc(Br)c(C(=O)NC[C@]2(O)CCOC2)c1 178946408 MAFQIALOXCVLIY-CYBMUJFWSA-N 330.178 1.339 0 40 EDAB COC(=O)Cc1ccccc1-c1nn2c(CC(=O)OC)nnc2s1 41127030 HTJOUJXUUHMBEW-UHFFFAOYSA-N 346.368 1.284 0 40 EDAB O=C(N[C@H]1CCCN(c2cccnc2)C1=O)[C@H]1CCc2cccnc21 333529901 XVTKTZMZYDBNMG-HOTGVXAUSA-N 336.395 1.818 0 40 EDAB CCn1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(C)cc2)n1 96181407 SYGOTQPXOVWAHG-SJORKVTESA-N 342.399 1.748 0 40 EDAB OCCn1ncc2c(NC[C@@H]3COc4ccccc4C3)ncnc21 97199902 XOLQFTYJHCNJPT-GFCCVEGCSA-N 325.372 1.482 0 40 EDAB CC(C)(CNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 96709442 VUUANYKENSWLNT-ZDUSSCGKSA-N 328.409 1.590 0 40 EDAB Cc1nc(CN2C[C@]3(CCN(c4nncs4)C3)CC2=O)cs1 96239350 IWRIEXDNKLPGGI-CQSZACIVSA-N 335.458 1.932 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@]3(C(=O)NC3CC(F)(F)C3)C2)no1 96110145 UAEXEQFFXYBFCC-IAQYHMDHSA-N 341.358 1.345 0 40 EDAB Cc1noc(C)c1CN1C[C@H](C(=O)N2CC=CC2)C2(CCOCC2)C1 96160146 NZRAULAUACTWSK-QGZVFWFLSA-N 345.443 1.918 0 40 EDAB Cn1ccc(CN2CC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)n1 96072392 KUMFYAWJYBMPGU-ROUUACIJSA-N 328.416 1.765 0 40 EDAB Fc1cnc(N2CC[C@H]3[C@H](Cc4nnc(C5CC5)o4)OC[C@H]3C2)nc1 96207547 QGSSKFUMINXRQO-BNOWGMLFSA-N 345.378 1.960 0 40 EDAB c1c2c(nn1CC1CCOCC1)[C@H](CNC1CCOCC1)OCC2 96044430 BNVHLUYYJIZLAU-KRWDZBQOSA-N 335.448 1.692 0 40 EDAB Cc1ccc(OC[C@@H]2CO[C@@H]3CN(Cc4[nH]cnc4C)C[C@H]23)cn1 96216049 KCAGKJZOXSZBEM-QGPMSJSTSA-N 328.416 1.947 0 40 EDAB O=C(c1cn2cccnc2n1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 96404143 UWOMMDXTSJROIA-CHWSQXEVSA-N 332.429 1.856 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)C(F)(F)C3(O)CCC3)CC2)o1 95449263 XDIFZIBRLRHNPF-UHFFFAOYSA-N 342.342 1.423 0 40 EDAB Cn1cncc1CN1CCO[C@]2(CCCN(c3cccnc3)C2)C1 96226330 UBNFVWJRPDCQJC-GOSISDBHSA-N 327.432 1.687 0 40 EDAB O=C(c1cnccn1)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 96039857 GAUKAGUWEAJTFI-FUHWJXTLSA-N 331.416 1.915 0 40 EDAB O=C(NCC1CC1)[C@H]1COC2(CCN(C(=O)c3ccno3)CC2)C1 96224885 KVEOZBBLQHHNKN-CYBMUJFWSA-N 333.388 1.212 0 40 EDAB CN(C)c1ncnc2c1CN(CC(=O)NCCc1cccs1)CC2 97202402 FCHVDZVLQHGTTE-UHFFFAOYSA-N 345.472 1.321 0 40 EDAB CC1=NO[C@H](CNS(=O)(=O)c2ccc(Br)cc2)C1 583652131 ZENIZHGLDRFOQY-JTQLQIEISA-N 333.207 1.892 0 40 EDAB C[S@@](=O)c1cccc(NC(=O)CNC(=O)c2cccc(F)c2)c1 96449767 SFHMYWZNLMIDMP-QHCPKHFHSA-N 334.372 1.932 0 40 EDAB O=C(NCc1ccco1)[C@H]1C[C@@H]2CCN(c3ncccn3)C[C@@H]2O1 96043252 XXELQVMRZGJJRY-CFVMTHIKSA-N 328.372 1.370 0 40 EDAB CN(C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccon1 585125600 YHUHMBRVPPIEHO-LLVKDONJSA-N 343.339 1.462 0 40 EDAB CN(C)c1cc([C@H]2CCCN(C(=O)Cn3cccnc3=O)C2)ccn1 257245694 IQQSSTUKJQYJBC-HNNXBMFYSA-N 341.415 1.111 0 40 EDAB COc1cccc(C(=O)N2CCC[C@]2(C(N)=O)c2cnccn2)c1 257283012 OWJGAFFYARLALE-QGZVFWFLSA-N 326.356 1.102 0 40 EDAB O=C(N[C@H]1CCCNC1=O)c1cncc(Cc2ccc(F)cc2)c1 257214620 CMQRPETXCVTRDB-INIZCTEOSA-N 327.359 1.820 0 40 EDAB CC(=O)N1CCN(C(=O)c2cnn3cccnc23)[C@H](c2ccccc2)C1 257271706 MZLGYPYWBQQUIC-KRWDZBQOSA-N 349.394 1.775 0 40 EDAB CC(C)C(=O)N1CCC[C@@H]1c1ccnc2c(C(=O)N(C)C)cnn12 257203320 APMOQDDFUVTRSZ-CYBMUJFWSA-N 329.404 1.751 0 40 EDAB Cn1ncc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(Br)c1=O 252486224 GTUXURLTXVQVLX-AVPPRXQKSA-N 328.210 1.768 0 40 EDAB O=C(c1cc(=O)c2ccccc2o1)N1CCO[C@@H](c2cnccn2)C1 257309247 UAFBZVJQYQFJFZ-QGZVFWFLSA-N 337.335 1.797 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)c3cnn4cccnc34)CCO2)nc(C)n1 257224502 FCCKKQHUALZFBT-HNNXBMFYSA-N 338.371 1.350 0 40 EDAB CCc1noc(C)c1C(=O)N1CCO[C@@H](c2nccnc2NC)C1 257239808 HQWQSQBHVBYGOQ-GFCCVEGCSA-N 331.376 1.591 0 40 EDAB Cc1nc(C)c(CC(=O)N2CCO[C@@H](c3nccnc3N)C2)s1 257199816 AAXKYBFMFHETPM-LLVKDONJSA-N 333.417 1.275 0 40 EDAB Cc1ccc2c(c1)O[C@H](C(=O)N[C@H](C)C(C)C)CN2S(C)(=O)=O 260893027 GCEKYTOWUDKCSJ-DOMZBBRYSA-N 340.445 1.683 0 40 EDAB O=C(N[C@H](Cc1ccccc1O)C(=O)O)[C@H]1OCCc2ccccc21 1608541982 NOPJDHMIZZJVLV-WBVHZDCISA-N 341.363 1.818 0 40 EDAB Cn1cc(CCNS(=O)(=O)c2cccc(N3CC=CCC3)n2)cn1 1615051116 UABMGFYAKCOPOT-UHFFFAOYSA-N 347.444 1.102 0 40 EDAB COc1ccsc1S(=O)(=O)Nc1ccc(OCCO)nc1 1615572254 VRUAHICYMNAIMX-UHFFFAOYSA-N 330.387 1.324 0 40 EDAB C[C@H]1CN(S(=O)(=O)N(C)C2CCCC2)CCN1c1cnccn1 1616036639 PQMAWPJMJYPCLV-ZDUSSCGKSA-N 339.465 1.106 0 40 EDAB O=C(c1cnccn1)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 96366569 KEXPWHQJQAJHLK-CYBMUJFWSA-N 331.397 1.555 0 40 EDAB O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1cc2ccccc2[nH]1 575414411 DNFLJVPEEMRIPT-ZDUSSCGKSA-N 347.382 1.614 0 40 EDAB O=c1cc(C2CC2)ncn1CCNS(=O)(=O)c1ccccc1F 575413777 NHCSPQJAGSSOMT-UHFFFAOYSA-N 337.376 1.238 0 40 EDAB CC(C)C(=O)N1CC2(C1)OCC[C@H]2CCNC(=O)c1cccnc1 575402681 FBKMDEMSYLZSIP-OAHLLOKOSA-N 331.416 1.475 0 40 EDAB Cc1cc(CN2Cc3ncn(C)c3C[C@H]2CNc2ncccn2)no1 585094727 JJWKMHLARBEGQL-AWEZNQCLSA-N 339.403 1.546 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H](O)[C@H](Cc3ccccc3)C2)c(=O)n1C 585272127 LEXKATZSSVTZEG-AEFFLSMTSA-N 340.423 1.759 0 40 EDAB Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)c2ccon2)C1 585275810 JWHRPVFATZRDCG-KRWDZBQOSA-N 332.356 1.266 0 40 EDAB Cn1cc(CN2Cc3ncn(C)c3[C@@H](C(=O)NCC3CCC3)C2)cn1 585110829 LPFZHNBTOALEGP-HNNXBMFYSA-N 342.447 1.169 0 40 EDAB O=C(C[C@@H]1C=CCC1)Nc1ncn(CC(=O)N2CCCCCC2)n1 69593540 YTAMMKOOGDIRMG-CQSZACIVSA-N 331.420 1.976 0 40 EDAB CCc1nc(CN2CCC[C@H](NCC(=O)NCc3ccco3)C2)no1 69661419 BVDANQHYUCYAOC-ZDUSSCGKSA-N 347.419 1.095 0 40 EDAB Cn1cc(/C=C/C(=O)NCCCc2nnc3n2CCCCC3)cn1 72301236 SBQSDRUITLYDTB-CMDGGOBGSA-N 328.420 1.500 0 40 EDAB CNC(=O)c1cccc(CNC(=O)CN(C)c2ccc(Cl)cn2)c1 53459845 LUPRNNHHRXLHKY-UHFFFAOYSA-N 346.818 1.847 0 40 EDAB COC[C@H](C)N(C)C(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O 75121671 JPDIHJNCUISYIY-NSHDSACASA-N 330.388 1.176 0 40 EDAB CC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 75117503 FVAQHIWXZNBGQT-UHFFFAOYSA-N 339.395 1.736 0 40 EDAB CC(C)(C)c1ncc(C(=O)NCCN2C(=O)CSC2=O)s1 62267337 JZDNXBSWWZQLIE-UHFFFAOYSA-N 327.431 1.866 0 40 EDAB CN(C)c1cc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c2ccccc2n1 97060219 RQTHEIAYCBLFAT-IRXDYDNUSA-N 340.427 1.456 0 40 EDAB CC(C)OCCNC(=O)[C@@H]1CN(C)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772596028 ZUKFWTGDNQGNOL-VYDXJSESSA-N 336.407 1.978 0 40 EDAB O=c1[nH]cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c(=O)[nH]1 5187534 VGMDLGFJDYECSG-UHFFFAOYSA-N 336.156 1.171 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)c2ccc(OC)cc2OC)C1=O 5568834 JCYVQKZDZMHFSD-UHFFFAOYSA-N 348.355 1.477 0 40 EDAB CCOC(=O)CCCNC(=O)COC(=O)/C=C/c1cccc(OC)c1 5786593 RGXJMSGLQBNSNJ-MDZDMXLPSA-N 349.383 1.711 0 40 EDAB Cc1nc(C)n(CCNC(=O)C[C@H]2C(=O)N(C)c3ccccc32)n1 12195704 NMZQFXHRICEEBR-CQSZACIVSA-N 327.388 1.161 0 40 EDAB C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2CCN3CC[C@@H](OC1=O)[C@@H]23 13130201 BTHCJHQOYFUIMG-UNTLZSSWSA-N 337.416 1.273 0 40 EDAB biogenic Cc1cc(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)on1 14180632 NSVMMLXVFMWEAB-UHFFFAOYSA-N 349.318 1.188 0 40 EDAB Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)C(F)(F)F)C2=O)c(C)c1 158337065 QZMJKFJQYWWPSL-BXUZGUMPSA-N 330.306 1.994 0 40 EDAB Cc1nc(CSCC(=O)N2CCN(c3ccccc3)CC2)no1 36397904 RDPUMYLXYLRMDT-UHFFFAOYSA-N 332.429 1.960 0 40 EDAB Cn1ccnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 4805085 MOSRYEAVKFKLAI-UHFFFAOYSA-N 334.401 1.090 0 40 EDAB O=C([C@H]1CN(CCc2ccc3c(c2)CCO3)CCO1)N1CCCCC1 1888866430 DDOUBOGPLRDSLS-LJQANCHMSA-N 344.455 1.877 0 40 EDAB CC(C)(C)NC(=O)CN1CCC(C(=O)N2CCC(F)(F)CC2)CC1 1888919556 DZOBAJYUWXDOKN-UHFFFAOYSA-N 345.434 1.871 0 40 EDAB FC(F)(F)c1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1 1889136156 JGHUPCHYCMWFST-UHFFFAOYSA-N 349.320 1.865 0 40 EDAB COc1cc(CNC(=O)[C@H]2CCCN(c3ncccn3)C2)ccn1 24439060 OVZSOZPIDAWXDW-AWEZNQCLSA-N 327.388 1.413 0 40 EDAB O=C(c1ccsc1)N1C[C@H]2OCCN(Cc3cccnc3)[C@@H]2C1 1565543197 QERJBCVTNFSRAS-HZPDHXFCSA-N 329.425 1.869 0 40 EDAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(F)cc1 13539922 ZGILYIHESGIAMU-UHFFFAOYSA-N 341.346 1.432 0 40 EDAB COc1cc(OC)cc(C(=O)N2CC(N3C(=O)CSC3=O)C2)c1 206955056 RTSBKDKNSWSSHR-UHFFFAOYSA-N 336.369 1.224 0 40 EDAB Cc1cc(OC2CN(C(=O)Cc3ccsc3)C2)n2ncnc2n1 618256505 SQWYXZIVDLNHBZ-UHFFFAOYSA-N 329.385 1.327 0 40 EDAB COCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 5007781 FOTFJNOMQFSJJI-CQSZACIVSA-N 342.417 1.119 0 40 EDAB COc1ccc([C@H](C)N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 100314746 REKWHZMALYIKHA-FNMJCEKKSA-N 329.352 1.623 0 40 EDAB Cc1cccc(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)n1 40493359 DHUFASXBAHOKRF-CYBMUJFWSA-N 334.397 1.813 0 40 EDAB O=C(COc1ccc(F)cc1)N[C@H]1CCCN(c2ncccn2)C1 40553757 PDELZNNNGHUARO-AWEZNQCLSA-N 330.363 1.780 0 40 EDAB CCCOc1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)cc1 40527172 VFXBRUGRKXUBLY-AWEZNQCLSA-N 326.418 1.422 0 40 EDAB COc1ccc(-c2noc(CCCC(=O)N3CCNC(=O)C3)n2)cc1 40513999 WDYLWNRLLSIMGD-UHFFFAOYSA-N 344.371 1.026 0 40 EDAB CCCN(C[C@H](O)Cn1cccn1)C[C@H]1COc2ccccc2O1 51688181 MSJBYTCKLCEETN-HOTGVXAUSA-N 331.416 1.796 0 40 EDAB CCS(=O)(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 41115584 XCKXGNWUZFHRAG-AWEZNQCLSA-N 332.853 1.653 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc2c(s1)CCCC2 102863822 WPOFXJNEKTUXJJ-QWRGUYRKSA-N 345.424 1.912 0 40 EDAB Cc1cccc(OC[C@H](O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 23409062 XCQCYZIFCZJFBD-SJLPKXTDSA-N 348.443 1.058 0 40 EDAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)Cn1ccnc1)c1ccc(C)cc1 42534662 BEMZOLATKLIHDR-YOEHRIQHSA-N 328.416 1.964 0 40 EDAB c1cc2c(cc1Nc1nc3nonc3nc1N1CCOCC1)OCO2 34968 INTUKFYJPSGART-UHFFFAOYSA-N 342.315 1.322 0 40 EDAB CCN(CC)C(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1 418422 NVOQUPFAEDOUIV-UHFFFAOYSA-N 344.419 1.045 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C(=O)CC[C@H]3CCCCO3)C2)n[nH]1 78901651 URERUZOWGWVODI-QWHCGFSZSA-N 334.420 1.564 0 40 EDAB CC(=O)c1cccc(-n2nnnc2SCC(=O)N2CCCC2)c1 1361391 GPQBBXCWYIUSAS-UHFFFAOYSA-N 331.401 1.579 0 40 EDAB COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)Cc1ccccc1 1588096 WNERDFMWSRTWIY-UHFFFAOYSA-N 329.312 1.057 0 40 EDAB O=C(NCc1ccc2c(c1)OCCO2)c1cccnc1-n1cncn1 25069756 HPAZPSMOLIYLRM-UHFFFAOYSA-N 337.339 1.364 0 40 EDAB Nc1nncn1C(=O)COc1ccc(Cl)cc1Br 4318300 KZBHFSLXCYGQCH-UHFFFAOYSA-N 331.557 1.995 0 40 EDAB Cc1ccc(CNC(=O)CSc2nc(=O)[nH]c3c2CCC3)cc1 4316748 YVMJAEOSDSHNSR-UHFFFAOYSA-N 329.425 1.976 0 40 EDAB CCN1CCN(c2ccc(N[C@@H](C)C(=O)NC(=O)NC)c(C)c2)CC1 56170200 FOIFWKQHAPOAFL-AWEZNQCLSA-N 347.463 1.393 0 40 EDAB CONC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 25824469 DERQJPPRWLFZKL-UHFFFAOYSA-N 327.262 1.851 0 40 EDAB C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1nnc2ccccn12 57003798 FMGBJVSRZZQAKR-HZUKXOBISA-N 337.383 1.748 0 40 EDAB Cc1cccc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 26396085 OTTPWBHNZSIQOV-GFCCVEGCSA-N 333.413 1.871 0 40 EDAB Nc1nccnc1C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 97046142 JUKKPHBFWDENBZ-ZDUSSCGKSA-N 349.398 1.864 0 40 EDAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2ccncc2)N1)OCCCO4 8161098 KJKURJBBCXCCKN-HNNXBMFYSA-N 336.355 1.689 0 40 EDAB O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1cnns1 97082192 HNBAYNPJMHTGGM-AWEZNQCLSA-N 332.429 1.425 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN(C)Cc1ccco1)n2C 8720157 QTOFWNSPNZGNCQ-UHFFFAOYSA-N 345.403 1.448 0 40 EDAB CNC(=O)c1cc(O[C@@H]2CCCN(c3cc(C)nc(C)n3)C2)ccn1 521398529 MEGAPFKFBCQLGJ-OAHLLOKOSA-N 341.415 1.896 0 40 EDAB CC(C)C(=O)NCCNC(=O)c1nc(N2CCCC2)ncc1Cl 44327035 AZFHHKOZQBKJMT-UHFFFAOYSA-N 339.827 1.232 0 40 EDAB CC(C)N(CCNC(=O)c1ccc(S(C)(=O)=O)cc1)C(C)C 27457096 ZBHYHKAPAXPHFK-UHFFFAOYSA-N 326.462 1.939 0 40 EDAB O=c1ccccn1CCN1CCN(C[C@H](O)c2ccccc2F)CC1 95360769 PBZWYRFLQVGXFJ-SFHVURJKSA-N 345.418 1.339 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)c2cc(C(C)=O)c[nH]2)cc1 58158184 VCMCSCPVYPYVAZ-UHFFFAOYSA-N 329.356 1.272 0 40 EDAB CCOC(=O)Nc1cccc(NCC(=O)NC(=O)NC2CC2)c1C 58159201 OBUXQPVWEIFQLP-UHFFFAOYSA-N 334.376 1.964 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(c2cnccn2)CC1 27631470 PTSQHNQHNURMBN-CQSZACIVSA-N 343.435 1.403 0 40 EDAB CCNC(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 58219366 RWEAZTIYTSBIQO-UHFFFAOYSA-N 339.461 1.768 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CNc1ccc(F)cc1OCCO 58291876 LVQXTLGLSWIKQS-UHFFFAOYSA-N 327.356 1.233 0 40 EDAB C[C@H](NC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCO1 44970929 SSWUPAOYWOAMJQ-FZMZJTMJSA-N 330.388 1.632 0 40 EDAB CCCOc1cccc(C(=O)NC(=S)Nc2nnn(CCC)n2)c1 9720343 SLWWMZSQIMBSGD-UHFFFAOYSA-N 348.432 1.999 0 40 EDAB COc1ccc(CC(=O)NCc2nnc3nc(C)cc(C)n23)cc1F 9909967 NIFVIMNJBKSEJT-UHFFFAOYSA-N 343.362 1.748 0 40 EDAB COc1ccc(C(N)=O)cc1NC(=O)NCC(=O)NC1CCCCC1 58628619 MCNCUXWYNSGUKT-UHFFFAOYSA-N 348.403 1.365 0 40 EDAB Cc1cc(C(=O)N2CCN([C@H](C)c3ccccn3)CC2)cc(=O)[nH]1 97143377 KQGHLTLLJZNRPT-CQSZACIVSA-N 326.400 1.597 0 40 EDAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cn1 11005673 BFFMBFHZJBVHGA-UHFFFAOYSA-N 349.412 1.271 0 40 EDAB Cc1cc(C)c(NC(=O)CN(C)[C@@H]2CC(=O)N(C3CC3)C2=O)c(C)c1 28894806 WVVKNNSAVRGPOR-OAHLLOKOSA-N 343.427 1.772 0 40 EDAB CCOC(=O)c1cc(=O)[nH]c2c1cnn2Cc1ccc(OC)cc1 36644371 RKEPFRKZAGFKAE-UHFFFAOYSA-N 327.340 1.958 0 40 EDAB Cc1cc(C)c2cc(C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)[nH]c2c1 29195796 OOBBOWAMZZQROH-ZDUSSCGKSA-N 349.456 1.939 0 40 EDAB CCCn1nc(C(=O)NCCCN2CCc3ccccc32)ccc1=O 29521298 IKOBAZLPLDEUKV-UHFFFAOYSA-N 340.427 1.836 0 40 EDAB CC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)c1 60348806 KXUJAIUDKFJZOL-HNNXBMFYSA-N 339.413 1.805 0 40 EDAB CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1 37077705 MZFZYILZVWILFI-QGZVFWFLSA-N 345.443 1.511 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCN(c2ncccn2)CC1 46831468 CNBFYUUGAHXBAO-HZPDHXFCSA-N 347.463 1.904 0 40 EDAB C[C@@H]1CN(CC(=O)NCCc2ccc(OC(F)F)cc2)CCO1 12344526 OGIPLAVIXKILKX-GFCCVEGCSA-N 328.359 1.667 0 40 EDAB Cc1noc(C)c1C(=O)N1[C@@H]2CC[C@@H]1CC(O)(c1ccnn1C)C2 100210456 OINAZBLIMDHWBF-CHWSQXEVSA-N 330.388 1.680 0 40 EDAB O=C(O)c1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1 95424276 RSXMMGFFWMDNJP-UHFFFAOYSA-N 328.372 1.675 0 40 EDAB O=S(=O)(NC[C@@H](O)Cc1ccccc1)c1ccc2cn[nH]c2c1 95432990 SBYWORORZJYUOS-AWEZNQCLSA-N 331.397 1.445 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)C2CCCCC2)cc1 3428866 GMPYZGDUWZQQOM-UHFFFAOYSA-N 340.401 1.396 0 40 EDAB NC(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1 3433401 PHDBITPFKOHTQB-UHFFFAOYSA-N 327.340 1.650 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C)nc2ccccc12 3521948 ZGMUMYLNAHMQGR-LLVKDONJSA-N 329.356 1.934 0 40 EDAB O=C(C1CC1)N1CCN(c2nccn3c(-c4cccnc4)cnc23)CC1 306129906 IPZJXUDQAOYDOW-UHFFFAOYSA-N 348.410 1.850 0 40 EDAB CC(C)(C)n1cc(NC(=O)C(=O)Nc2cnn(CC(F)F)c2)cn1 95434628 IGGUSBKPFSUWBC-UHFFFAOYSA-N 340.334 1.677 0 40 EDAB O[C@@H](CNCCn1cccn1)COc1ccc(Br)cc1 49076645 XTLRNHZNSCUHRZ-ZDUSSCGKSA-N 340.221 1.675 0 40 EDAB COc1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 9009952 HFCSAZOYXDNRCC-ZYHUDNBSSA-N 328.415 1.357 0 40 EDAB O=Cc1cccc(OCC(=O)N2CCN(C3CCOCC3)CC2)c1 82992107 FKBLGOFMZGUAIP-UHFFFAOYSA-N 332.400 1.201 0 40 EDAB C[C@@H]1CCc2c(sc3ncnc(OCC(=O)N4CCNC4=O)c23)C1 39561844 IWDNRIVRQJIMPP-SECBINFHSA-N 346.412 1.747 0 40 EDAB O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)N1CC[C@H](O)C1 96009323 OFUFVEJPZYZJRI-VIFPVBQESA-N 341.293 1.885 0 40 EDAB CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1 14094185 LDVGVKSLNBAEJO-UHFFFAOYSA-N 348.424 1.989 0 40 EDAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)nc2)cc1 65551710 CLYYURJDMGWQDT-UHFFFAOYSA-N 346.817 1.939 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCN1C(=O)CCC1=O 65562997 CYINBKYPZUGYJI-UHFFFAOYSA-N 341.367 1.314 0 40 EDAB O=C(CCN1CCOC1=O)OC[C@H]1CN(Cc2ccccc2)CCO1 65576568 MFFJHBRNAZCXIS-MRXNPFEDSA-N 348.399 1.273 0 40 EDAB CN(C)CCCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 5301983 FZVQMISIVANVJO-UHFFFAOYSA-N 344.411 1.728 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N[C@H](C)c3nnc4n3CCC4)ccc21 65608414 DHGUKQJRUQVKGK-LLVKDONJSA-N 339.399 1.624 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)NCc1cccc(Cl)c1 14141339 XHZSTXIRYIRRLQ-UHFFFAOYSA-N 345.834 1.568 0 40 EDAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)no1 4512418 VIQACFAFVDHTDB-GFCCVEGCSA-N 343.339 1.518 0 40 EDAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H]1C(N)=O 66147005 WAPWBRINZRDCAI-MWLCHTKSSA-N 330.306 1.949 0 40 EDAB CCOC(=O)N1CCC[C@@H](C(=O)NC[C@H](CO)Cc2ccccc2)C1 72290267 YBHGXUZDEVCPCZ-IAGOWNOFSA-N 348.443 1.822 0 40 EDAB CCCCN(C)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 26465319 HDBUHWVMHXGLLS-ZDUSSCGKSA-N 341.477 1.113 0 40 EDAB COc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)NC(C)C)CC1 69384400 ZNVFIXFPEMOKOJ-AWEZNQCLSA-N 348.447 1.758 0 40 EDAB COc1ccc(C(C)(C)C)cc1NC(=O)CCn1[nH]c(=O)ccc1=O 8390788 KIOXKAGFGWISRH-UHFFFAOYSA-N 345.399 1.872 0 40 EDAB C[C@@H]1CCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 71842057 NHVPVJCPPYDSMC-CQSZACIVSA-N 333.432 1.289 0 40 EDAB CCc1noc([C@@H](C)N2CCN(CC(=O)N3CCC[C@H](C)C3)CC2)n1 69420735 VMMZLGHJCPRBQA-LSDHHAIUSA-N 349.479 1.569 0 40 EDAB CCc1noc([C@@H](C)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 69418247 WVTDUGKGVQBAFA-CZUORRHYSA-N 343.431 1.537 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)N2Cc3ccccc3C2)CC1 71879841 DTXVYQYHXLJHNB-UHFFFAOYSA-N 337.445 1.383 0 40 EDAB O=C(CN1CSCC1=O)NCCc1coc(-c2ccc(F)cc2)n1 69510259 AEJHWWMOMTUCFX-UHFFFAOYSA-N 349.387 1.672 0 40 EDAB O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC[C@@H](n2ccnc2)C1 69656481 AZYZYVULCHGRGO-GDBMZVCRSA-N 330.432 1.838 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N[C@H]2CCCN(Cc3noc(C)n3)C2)no1 69624573 PKFLTLIHIRFFEP-AAEUAGOBSA-N 348.407 1.256 0 40 EDAB CCc1nc(CN(C(C)=O)[C@H]2CCN(CCc3cnn(C)c3)C2)no1 83830433 GJGOAQXQRIZJCC-HNNXBMFYSA-N 346.435 1.031 0 40 EDAB CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](C(N)=O)C1 69742020 RFZAUZGEPFXQSE-RYUDHWBXSA-N 341.477 1.048 0 40 EDAB Cc1nc(Cl)cc(N2CCC[C@@H]2C(=O)N2CCSCC2)n1 71904183 GIEWBMMGFSUCFN-LLVKDONJSA-N 326.853 1.983 0 40 EDAB CCc1nn(C)c(CC)c1CN1CC[C@H](S(=O)(=O)NC2CC2)C1 92072188 YKXPJYQPZHCABU-ZDUSSCGKSA-N 340.493 1.201 0 40 EDAB C[C@H]1CN(C2CCN(Cc3ccc(C(=O)N(C)C)[nH]3)CC2)CCO1 92079077 GZWUMOIXKIMIBL-AWEZNQCLSA-N 334.464 1.402 0 40 EDAB CN(CN1CCSC1=S)[C@H]1CCN(CC(F)(F)F)C1=O 71900365 TXWAONPICOHOFM-QMMMGPOBSA-N 327.397 1.373 0 40 EDAB CC1(C)[C@@H](OC(=O)CCn2nnc3ccccc3c2=O)[C@H]2CCO[C@H]21 71916000 HIZXQGUUECFSGC-MAZHCROVSA-N 343.383 1.538 0 40 EDAB CC[C@H]1CN(Cc2csc(NC(C)=O)n2)CCN1CCOC 69817617 JBHMRRJLMWIKTL-AWEZNQCLSA-N 326.466 1.644 0 40 EDAB C1C[C@@H](NCc2nnc(C3CC3)o2)CN(Cc2noc(C3CC3)n2)C1 69818546 GGWOATUENBEYBQ-CYBMUJFWSA-N 344.419 1.962 0 40 EDAB CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc([C@H]2COCCO2)n1 95450949 VLRUQTIFBSYQEZ-WDEREUQCSA-N 341.364 1.466 0 40 EDAB O=C(Nc1nnc(-c2ccccn2)[nH]1)[C@@H]1CC(=O)N(C2CCCC2)C1 95956367 HUSYPUYMDRWQJH-LLVKDONJSA-N 340.387 1.596 0 40 EDAB CC(C)N(C)CC(=O)N[C@@H]1CCc2nnc(-c3ccccc3)n2C1 95998183 KQEDTPVSZBGRLN-OAHLLOKOSA-N 327.432 1.716 0 40 EDAB C[C@H](CNC(=O)NC[C@](C)(O)c1ccccc1Cl)[S@](C)=O 95943347 AUORRTDVQGJBOS-JTWCOAEXSA-N 332.853 1.614 0 40 EDAB COc1ccc([C@@H](C)NCc2ncnn2C)cc1Cn1cccn1 95968763 CQVXMWNOVUAKCZ-CYBMUJFWSA-N 326.404 1.919 0 40 EDAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H](Cn2cncn2)C1 95994967 PJAJKQBTJXXEMW-LLVKDONJSA-N 342.371 1.657 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)o1 89558190 YRRFTUMVFHAONZ-SNVBAGLBSA-N 326.299 1.739 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)no1 89600942 WTSJYNOZXOYUBJ-DLBZAZTESA-N 327.384 1.708 0 40 EDAB O=C(CCn1cccn1)NS(=O)(=O)N1CCCc2ccccc21 89861088 QWPXJZBFLTTYHB-UHFFFAOYSA-N 334.401 1.087 0 40 EDAB CC(C)N(C[C@H]1C[C@H]1C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 89922065 TYKMPZUMPOQDHO-CHWSQXEVSA-N 337.445 1.377 0 40 EDAB Cc1cc(NC(=O)COC(=O)c2ccc(-n3cccn3)cc2)no1 21470403 MTZLAFIJEYIOLZ-UHFFFAOYSA-N 326.312 1.964 0 40 EDAB Cc1ccc(C)c(CC(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)c1 518775821 WTBXACDBLCEEMI-OAHLLOKOSA-N 342.399 1.999 0 40 EDAB CSCC[C@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)O 37406024 PUYUTGQOTMKJSA-VIFPVBQESA-N 325.358 1.449 0 40 EDAB COc1cccc(OCc2nc(N3CCOCC3)ncc2C(=O)O)c1 72265494 ULOSXWXPPDYDCM-UHFFFAOYSA-N 345.355 1.599 0 40 EDAB COc1cccc(C(=O)N2[C@@H](C(=O)O)COC23CCN(C)CC3)c1 71980044 NYKDDWGLDNIEGU-CQSZACIVSA-N 334.372 1.043 0 40 EDAB O=C(Cc1cccc(Br)c1)N[C@H]1CCCS(=O)(=O)C1 79310304 RQGYPPFVFLGMGB-LBPRGKRZSA-N 346.246 1.685 0 40 EDAB CN(C(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1 38753212 WFRDPEZDUSXONB-CYBMUJFWSA-N 325.434 1.168 0 40 EDAB Cc1noc(Cl)c1CC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 77140240 MKTKWTPBBFZRGN-ZJUUUORDSA-N 334.825 1.651 0 40 EDAB O=C(CN1CCC[C@@H](C(=O)NCC(F)(F)F)C1)NC1CCCC1 75928332 MDGBSRMNUWRVKB-LLVKDONJSA-N 335.370 1.436 0 40 EDAB O=C(NCCc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)o1 32641508 RVKBIUWJVSSLQA-UHFFFAOYSA-N 334.397 1.693 0 40 EDAB Cn1cc(Br)c(C(=O)N2CCCN(CC3CC3)CC2)n1 72252848 XSCAJPHPVCPOHM-UHFFFAOYSA-N 341.253 1.741 0 40 EDAB N[C@@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218060876 CPMGZWJFQHDAPZ-PMPSAXMXSA-N 337.828 1.970 0 40 EDAB Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(=O)N(C)C1 78769668 NFRDTJPUMNDLSV-OCCSQVGLSA-N 347.440 1.313 0 40 EDAB CCN1CCN(c2ncc(S(=O)(=O)c3ccccc3)c(N)n2)CC1 71771843 YHLOVWYLKPFQMI-UHFFFAOYSA-N 347.444 1.034 0 40 EDAB CC(C)n1cc(NS(=O)(=O)c2ccc(OCC(N)=O)cc2)cn1 226744290 XNEGYAZQOFMNHP-UHFFFAOYSA-N 338.389 1.129 0 40 EDAB CO[C@H](CNS(=O)(=O)c1cn(C)cn1)c1ccc(Cl)s1 225706992 FNCLZOGIWBDUEQ-MRVPVSSYSA-N 335.838 1.801 0 40 EDAB O=C(Nc1cnc2ccnn2c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 225573668 URAGZARRTLZODV-LLVKDONJSA-N 339.330 1.860 0 40 EDAB Cn1nc(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)ccc1=O 81259042 KTEVOXBQQTVEGN-CQSZACIVSA-N 335.367 1.421 0 40 EDAB O=C(O)C[C@@H](NS(=O)(=O)N1C[C@H]2CC[C@H]1C2)c1ccc(F)cc1 572599179 REAWZAPBFHAOKV-LEWSCRJBSA-N 342.392 1.660 0 40 EDAB COCCN1CCOC[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 96228780 FJHQJJFXCSKMDO-HXUWFJFHSA-N 346.471 1.817 0 40 EDAB CN1C[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2ncon2)CC1=O 96485602 FJUSOVHEOHESDD-MFKMUULPSA-N 334.763 1.407 0 40 EDAB Cc1nccn1CCCCN1CCN(C(=O)N2CCOCC2)CC1 96489061 RKXXILRHPPDBEE-UHFFFAOYSA-N 335.452 1.042 0 40 EDAB CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1 96043036 OXCRJYYMPCOIAC-RYQLBKOJSA-N 329.444 1.929 0 40 EDAB Cc1occc1C(=O)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96219365 XWGCICAIRQIGQT-CXAGYDPISA-N 328.372 1.864 0 40 EDAB Cc1ccc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN(C)C)cn1 96065753 CQNWFKQRSVZWNY-GVDBMIGSSA-N 333.432 1.340 0 40 EDAB O=C(N[C@H]1CCO[C@]2(CCN(C3CCOCC3)C2)C1)c1cnccn1 96206202 MFEHZKQERVTFKO-KBXCAEBGSA-N 346.431 1.009 0 40 EDAB Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2Cc2nccn2C)cn1 96200687 NTHMIQSAEITPNM-IRXDYDNUSA-N 329.448 1.766 0 40 EDAB O=C(c1ccco1)N1CCOC[C@@]2(C1)CN(c1ccoc1)C(=O)CO2 96051406 JPONTKSTFYUCRY-QGZVFWFLSA-N 346.339 1.147 0 40 EDAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccccn2)C1)N1CCCCO1 96041256 YHFPYYMCOGKJNV-USXIJHARSA-N 331.416 1.615 0 40 EDAB Cc1cccc(CN2CCC3(CC2)C[C@H]3C(=O)N2CCOCC2)n1 96227807 SXIVCAJRQJIDGP-KRWDZBQOSA-N 329.444 1.851 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cn(Cc3ccccc3)nn1)C2 97199087 ACDSMBBJVHLZMY-HNNXBMFYSA-N 336.399 1.576 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CN(Cc2ccco2)C[C@H]2OCC[C@H]21 96038889 VDZTZZSQWZCHDC-RCCFBDPRSA-N 341.411 1.828 0 40 EDAB Cn1cc(CN2CCC3(CC[C@@H]3NC(=O)c3cnccn3)CC2)cn1 96051484 BKNDTMHKOFWOHD-INIZCTEOSA-N 340.431 1.385 0 40 EDAB Cc1cc(C[C@@H](C)NC(=O)Nc2cccnc2-n2cncn2)n[nH]1 97099467 AASKFCXJKIKDID-SNVBAGLBSA-N 326.364 1.447 0 40 EDAB Cc1nc(CN2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3CC2)cs1 247959818 NXLSTNJOKLYEQV-KBPBESRZSA-N 345.490 1.076 0 40 EDAB Cn1cc(C(=O)N2CC3(C[C@@H](Oc4cccnc4)CS3)C2)cn1 248124956 LKJMDXNDXMWAME-CQSZACIVSA-N 330.413 1.594 0 40 EDAB COCCNC(=O)[C@@H]1CN(CCc2ccccc2)Cc2cncn21 247831617 HNEJOTUSICGZQQ-KRWDZBQOSA-N 328.416 1.245 0 40 EDAB O=C(CO[C@@H]1CCOC2(C1)CN(Cc1ccccn1)C2)N1CCCC1 247750840 VQHLIDKXLGDWPB-QGZVFWFLSA-N 345.443 1.454 0 40 EDAB Cc1cc(C[C@@H]2COCCN(C(=O)CCCn3cccn3)C2)ncn1 257224883 FDVAEKMBHZFYLE-INIZCTEOSA-N 343.431 1.479 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3cncnc3)CCO2)n1 257324664 WPQFQJHDELIQLR-MRXNPFEDSA-N 327.388 1.460 0 40 EDAB CC(=O)NCc1cncc([C@H]2CCCN2C(=O)c2cccn2C)n1 257241543 HYKIHUUEEJNQNR-OAHLLOKOSA-N 327.388 1.429 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3ccnc(C)n3)C2)cc1 257274797 NMRUCRQBKYVCSO-INIZCTEOSA-N 333.413 1.856 0 40 EDAB CCCOc1cc(S(=O)(=O)NCCO)ccc1Br 584906309 XEYMGPVIBSKLDQ-UHFFFAOYSA-N 338.223 1.509 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@H](NCCCO)[C@@H]([C@@H]2CCOC2)C1 585085425 NEBQZMIYVALYSM-KFWWJZLASA-N 328.453 1.621 0 40 EDAB CN(C)S(=O)(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1 585087354 WNSYUELCUABWLK-UHFFFAOYSA-N 330.797 1.628 0 40 EDAB O=C(N[C@@H]1CC[C@@H](N2CCN3C(=O)CC[C@@H]3C2)C1)c1cccc(F)c1 585079706 USDQGXCYBJNULF-BRWVUGGUSA-N 345.418 1.783 0 40 EDAB CCn1ncc(S(=O)(=O)N2CC[C@H]3NCCCC[C@H]3C2)c1C 257204970 AXBRBFHYWAQEKC-UONOGXRCSA-N 326.466 1.364 0 40 EDAB NC(=O)CNC(=O)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 585138318 DWVVPBPVSOLNHQ-KRWDZBQOSA-N 343.402 1.628 0 40 EDAB COC(=O)N[C@H](C(=O)NCc1nnc2ccc(Cl)cn12)C(C)C 585131574 ZMVAHZQEAWSWTH-LBPRGKRZSA-N 339.783 1.380 0 40 EDAB CC(=O)N1[C@H]2CCN(C(=O)Cc3ccccc3C)C[C@@H]2C[C@]1(C)CO 257281618 OQDLILSECQCTFC-CMKODMSKSA-N 344.455 1.758 0 40 EDAB CC1(c2nc(=NC(=O)c3ccc(N4CCCC4)nn3)s[nH]2)CC1 529702909 CQCNPPFBQWPGGY-UHFFFAOYSA-N 330.417 1.654 0 40 EDAB CC(C)(CN1CCOCC1)NC(=O)c1ccc(-c2cncnc2)nc1 257214928 CNZHTSXVGOCQEV-UHFFFAOYSA-N 341.415 1.379 0 40 EDAB Cn1cc(-c2nccnc2C[C@H]2CCCN(S(C)(=O)=O)C2)cn1 257213347 CHEJLNHZPFWSCX-GFCCVEGCSA-N 335.433 1.091 0 40 EDAB Cc1cc2nccc(C3CCN(C(=O)CN4CCCC4)CC3)n2n1 257239807 HQWPNYQBCHWBTF-UHFFFAOYSA-N 327.432 1.840 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@]2(O)CCN(c3ccccn3)C2)s1 257280932 OMZIIKLJBIYQMS-MRXNPFEDSA-N 332.429 1.526 0 40 EDAB CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCNC[C@@H]2F)c1 1616037669 AVVFIZZGCLNRHA-QWHCGFSZSA-N 348.827 1.563 0 40 EDAB O=S(=O)(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc2nn[nH]c2c1 606443497 CYOIJWSZXCVXTI-GXTWGEPZSA-N 332.360 1.931 0 40 EDAB FC(F)(F)[C@H](CCSc1nnnn1C1CC1)N1CCOCC1 1615001811 JDJVRLILXIEKDM-JTQLQIEISA-N 337.371 1.753 0 40 EDAB O=S1(=O)C[C@H]2NC(=S)N(CCc3c[nH]c4ccccc34)[C@H]2C1 575424722 WEOBCXYMWUDYGN-KGLIPLIRSA-N 335.454 1.066 0 40 EDAB CC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585284273 HRUADVOLKCKZON-OAHLLOKOSA-N 326.780 1.212 0 40 EDAB Cc1c(S(=O)(=O)N2C[C@H](C)NCc3ccc(F)cc32)cnn1C 584401367 SUVMGLIFDSGCAA-JTQLQIEISA-N 338.408 1.555 0 40 EDAB Cc1cccc(OC[C@]2(O)COCCN(C3CCN(C)CC3)C2)c1 585276103 LWEKDGYGJMRJAC-LJQANCHMSA-N 334.460 1.531 0 40 EDAB C[C@H](NC(=O)CCC(N)=O)C(=O)c1ccc(Br)cc1 71894572 RPADCNKCQYRVJQ-QMMMGPOBSA-N 327.178 1.402 0 40 EDAB Cc1cnn(C2CN(C[C@@H](O)COCc3ccc4c(c3)OCO4)C2)c1 72253999 WZFQQNBHTCAYAL-MRXNPFEDSA-N 345.399 1.355 0 40 EDAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H]1CCS(=O)(=O)C1 44722234 OGWXVJQUNOFJHO-GFCCVEGCSA-N 334.397 1.815 0 40 EDAB Cc1ccc(N2C[C@H]3CN(C(=O)c4ccc5nn[nH]c5c4)C[C@H]3C2)nn1 1066007328 DFJOHINJMRSMIY-OKILXGFUSA-N 349.398 1.265 0 40 EDAB COCC(=O)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1776001380 PYEHGLACPVDQMV-SNVBAGLBSA-N 344.209 1.503 0 40 EDAB O=C(CCn1c(=O)oc2ccccc21)NC[C@H](O)c1ccccc1 52819431 ZJXOMKWVNAAUHN-HNNXBMFYSA-N 326.352 1.834 0 40 EDAB C[C@H](CNC(=O)CCc1nc(-c2ccccn2)no1)CN1CCCC1 55539796 LNRFYMUVUJHWLX-CQSZACIVSA-N 343.431 1.912 0 40 EDAB CCn1cc(NC(=O)NCc2ccc(N3CCOCC3)nc2)cn1 40526709 XFUUCRBALMHUCY-UHFFFAOYSA-N 330.392 1.456 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)N3C[C@@H](C)OC[C@@H]3C)ccc21 40499006 PPUITQZODYSLGK-NWDGAFQWSA-N 329.400 1.974 0 40 EDAB CS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN3CCCC[C@H]23)c1 96405349 ALBBDGDWYQLSFM-LSDHHAIUSA-N 340.420 1.586 0 40 EDAB CN1C(=O)CN(C2CCN(C(=O)c3c[nH]c4ccccc34)CC2)C1=O 828283866 WOITVNLGDGFINC-UHFFFAOYSA-N 340.383 1.667 0 40 EDAB 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338.404 1.965 0 40 EDAB CCOC(=O)C(Cc1ccc(F)cc1)(NC(C)=O)C(=O)OCC 3176118 UQUZGASRQMSXGN-UHFFFAOYSA-N 325.336 1.369 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)N[C@H](C)Cn3cccn3)ccc21 24806322 MJTQZBDYJIHDPD-GFCCVEGCSA-N 339.399 1.740 0 40 EDAB C[C@@H]1CN(Cc2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)CCO1 25212530 NUXVYDVWLHRGIJ-OAHLLOKOSA-N 342.443 1.913 0 40 EDAB Cc1cccc(N(C)C(=O)Cn2cnc3c(cnn3C)c2=O)c1C 55897036 KUXIDGWBNRFXLT-UHFFFAOYSA-N 325.372 1.410 0 40 EDAB Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2ccc(F)cc2)c1 6450696 MSCORLPXOIGNBA-UHFFFAOYSA-N 329.331 1.828 0 40 EDAB Cc1nc2sccn2c(=O)c1S(=O)(=O)NCc1ccccc1 6822963 PHMVMMWEQRJBSL-UHFFFAOYSA-N 335.410 1.543 0 40 EDAB Cn1cc([C@@]2(C)NC(=O)N(Cc3ncc(C(C)(C)C)o3)C2=O)cn1 95454031 RKSFBCPRSIPAPF-MRXNPFEDSA-N 331.376 1.673 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(C[C@H](O)c3ccccc3Cl)C2=O)cn1 102706103 WUQFBTMZAHOHDR-DOMZBBRYSA-N 347.802 1.725 0 40 EDAB CCOC(=O)[C@@H](C)NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 58018393 GWXPLQUCWDPCPX-SNVBAGLBSA-N 333.319 1.053 0 40 EDAB 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341.371 1.617 0 40 EDAB CCC[C@@H](NC(=O)Cc1cc(=O)oc2c(C)c(O)ccc12)C(=O)O 4063850 DNUSTSREINMNEP-GFCCVEGCSA-N 333.340 1.719 0 40 EDAB biogenic O=C(CSc1ccc2nncn2n1)Nc1ccc2c(c1)OCCO2 96117862 FOWDUIIVWOXLQI-UHFFFAOYSA-N 343.368 1.626 0 40 EDAB CN1CC(=O)N(CC(=O)Nc2ccccc2F)c2ccccc2C1=O 13626596 CODURKJBRQFSBA-UHFFFAOYSA-N 341.342 1.883 0 40 EDAB C[C@H](CNC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)N(C)C 65440019 DZJGPYGEIWJQOS-ZIAGYGMSSA-N 330.436 1.920 0 40 EDAB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(C)cc1)C1=C(COC1=O)N2 4495932 MUOCQMZJLRQTRD-LBPRGKRZSA-N 339.351 1.233 0 40 EDAB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(C)c1)C1=C(COC1=O)N2 4495930 ILZFXXBUZHDJTJ-LBPRGKRZSA-N 339.351 1.233 0 40 EDAB CC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4592849 KBLWMLZSQVKJEP-RMHZUWNSSA-N 340.379 1.859 0 40 EDAB O=C(C1CC1)N1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 14242581 MEYUXFRROLGQOH-GOSISDBHSA-N 341.455 1.904 0 40 EDAB COc1nc(C)ccc1CNC(=O)C(=O)Nc1cccnc1OC 66221357 COYPHNXMOCVXRL-UHFFFAOYSA-N 330.344 1.057 0 40 EDAB O=C(O)c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c[nH]1 75582004 RAMGJEZWTXITKL-UHFFFAOYSA-N 332.341 1.699 0 40 EDAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NC1CC1 5703944 ZGLZENOKVGKOIH-UHFFFAOYSA-N 341.458 1.237 0 40 EDAB NS(=O)(=O)c1cccc(NC(=O)CN2CCc3ccccc32)c1 6816579 VXLGVNPMTZGTDD-UHFFFAOYSA-N 331.397 1.335 0 40 EDAB O=C(Nc1ccccc1CC(F)(F)F)C(=O)N1CCC[C@@H]1CO 121223197 NYKBEBOBHQRWBB-LLVKDONJSA-N 330.306 1.713 0 40 EDAB O=C(CN1CCCN(C(=O)c2ccccc2O)CC1)N1CCCC1 71828384 LPJMCJWTTMIYTO-UHFFFAOYSA-N 331.416 1.163 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CCc2c(O)cccc21 71898037 USFQRIIXXWPXAL-MRXNPFEDSA-N 335.367 1.714 0 40 EDAB Cc1nc(CN(C)C(=O)/C=C/c2ccc(OCC(N)=O)cc2)cs1 71836836 YIJVZQQEHGDVGR-VMPITWQZSA-N 345.424 1.987 0 40 EDAB CC[C@H](C)NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 7346087 BYTIIUMTZUGDHR-LBPRGKRZSA-N 334.445 1.821 0 40 EDAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@@H]1C1CCCC1 71820104 SAAWWTOQSRQBCJ-OAHLLOKOSA-N 341.411 1.871 0 40 EDAB 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GDUKYSVRUNFGQD-UHFFFAOYSA-N 329.198 1.328 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1C 69744634 AGZLWLXGGJOOET-WDEREUQCSA-N 344.433 1.312 0 40 EDAB COC(=O)c1ccc2c(O)nc(CN(CCO)CC3CC3)nc2c1 69898837 BGQQJCJEBRRASJ-UHFFFAOYSA-N 331.372 1.326 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccccc2F)n[nH]1 9837079 ROZAIQNWESBNDL-QMMMGPOBSA-N 337.380 1.937 0 40 EDAB CCCn1nnnc1COC(=O)[C@@H](C)N1CCc2ccccc2C1 69977976 PDXCPIZIRZUINK-CYBMUJFWSA-N 329.404 1.573 0 40 EDAB Cn1cc(C(=O)NS(=O)(=O)c2ccsc2)c(C(C)(C)C)n1 92317004 LUJWJRMLUQSZQJ-UHFFFAOYSA-N 327.431 1.898 0 40 EDAB Oc1cc(CSc2nnnn2-c2ccccc2)nc2ncnn12 8762872 FLGASCFSXQIKRJ-UHFFFAOYSA-N 326.345 1.098 0 40 EDAB O=S(=O)(c1ccc(I)cc1)n1cccn1 8714890 AGWSVWOFPCRMQC-UHFFFAOYSA-N 334.138 1.725 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)NC2CCN(C(C)=O)CC2)c1C 8985180 AUDFAMQWRUIYPR-UHFFFAOYSA-N 335.404 1.549 0 40 EDAB O=C(COCC1CC1)NC[C@H]1CCC[C@@H]1NC(=O)COCC1CC1 72297998 QYOYZSIPXXVCJA-CVEARBPZSA-N 338.448 1.241 0 40 EDAB COC(=O)c1ccc2c(cnn2CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 72295920 RPVZTNSHIXFFMS-TXEJJXNPSA-N 331.372 1.459 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H](n2cncn2)C1 72272257 YNLUITPVFOYMTE-CYBMUJFWSA-N 348.428 1.467 0 40 EDAB Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@H]3OCCN(C)[C@@H]3C2)c1 97109454 CYRGVERXZIKDQW-FRFSOERESA-N 340.851 1.403 0 40 EDAB Cc1[nH]ncc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc(-n2cncn2)cc1 97233900 CAPWGGPLBMOOKQ-AAEUAGOBSA-N 339.403 1.977 0 40 EDAB Cc1cccc2c(=O)n(CCCC(=O)Nn3cn[nH]c3=S)cnc12 9954623 HPZLPOIRKIKDIK-UHFFFAOYSA-N 344.400 1.510 0 40 EDAB CCN(CC)S(=O)(=O)NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 76016794 IDDOUGZYQZPKHH-UWVGGRQHSA-N 332.372 1.771 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)N2CCS(=O)(=O)CC2)C1 78446799 VHURUBPHWJOVAV-OKILXGFUSA-N 345.509 1.183 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N[C@H]1CCCN(C2CCCCC2)C1 69110428 PDQHIJLZMYHEMJ-CABCVRRESA-N 334.468 1.763 0 40 EDAB CCC(=O)N1CC[C@@H](N[C@@H](CN2CCOCC2)c2ccccc2C)C1 183725202 JDNKRTVSOIPLNQ-MJGOQNOKSA-N 345.487 1.969 0 40 EDAB CC(C)n1nccc1NC(=O)CCCn1nnc2ccccc2c1=O 72403832 LUWIPCQDUZTFRD-UHFFFAOYSA-N 340.387 1.988 0 40 EDAB COc1c(C)cnc(CN2CCC[C@@H](NS(C)(=O)=O)C2)c1C 66664921 PBQRXLCZFCCTMR-CYBMUJFWSA-N 327.450 1.221 0 40 EDAB O=C(NCCOc1cc(N2CCOCC2)ncn1)c1cccs1 38520281 BZGMXELLHXAGLG-UHFFFAOYSA-N 334.401 1.184 0 40 EDAB Cn1ccnc1C(=O)c1cccc(NC(=O)CCCn2cnnn2)c1 524734161 DQASWQHUODPNNY-UHFFFAOYSA-N 339.359 1.057 0 40 EDAB CCn1ncc(CNC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n1 528017829 HEBHDXBOKCDVDE-CYBMUJFWSA-N 332.383 1.515 0 40 EDAB CCCC(=O)N1CC2(C1)[C@@H](COc1ccccn1)CCS2(=O)=O 306139826 UBRXMKRRNIKOPB-CYBMUJFWSA-N 338.429 1.276 0 40 EDAB CCc1nnc(O)c(CNC(=O)[C@@H]2CCc3cnc(C)n3C2)c1CC 553516665 CDIVUMXIUHAYDR-GFCCVEGCSA-N 343.431 1.691 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)N3CCOc4ccccc43)cc2o1 32085822 BEKDBHBYPVQMIV-UHFFFAOYSA-N 332.337 1.709 0 40 EDAB CNc1cc(N2CCC[C@@H]2CNC(=O)C2(O)CCCCC2)ncn1 128912736 WDYCQKGZEDMGPA-CYBMUJFWSA-N 333.436 1.299 0 40 EDAB CC(C)N1CCN(CCCn2c(-c3ccccc3)noc2=O)CC1 188303363 DBXWDPAZHZAERW-UHFFFAOYSA-N 330.432 1.919 0 40 EDAB C[C@H]1CN(C(=O)CNC2(c3ccccc3)CCOCC2)C[C@@H](C)O1 72633032 FJYGEJKAMVZIEM-IYBDPMFKSA-N 332.444 1.918 0 40 EDAB CCN(C)C[C@@H](O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 568882183 WGVBJMHHEZAGOR-BDJLRTHQSA-N 337.445 1.144 0 40 EDAB Cc1ccc(CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 39762660 ANYBSGRMOBQSOM-UHFFFAOYSA-N 343.471 1.931 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)c1ccoc1 75171884 GCVFDJAGAJNDHY-LLVKDONJSA-N 331.777 1.954 0 40 EDAB CCNS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 76997730 QSHPNPWLDJICMX-CVEARBPZSA-N 338.473 1.969 0 40 EDAB Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccc(F)cc2)n1 224176867 CLRHRVPDDNFCEW-UHFFFAOYSA-N 330.363 1.691 0 40 EDAB OCCN(CCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1 139056036 NDPYRSVYRDXQRP-UHFFFAOYSA-N 336.395 1.997 0 40 EDAB O=S(=O)(NCc1noc2ccccc12)c1cnn2c1OCCC2 575603634 NDYGDJPVJBOBAR-UHFFFAOYSA-N 334.357 1.285 0 40 EDAB CCN(CC(=O)O)C1CCN(C(=O)[C@@H]2OCCc3ccccc32)CC1 572960464 AQFSRCQMBDGYKL-GOSISDBHSA-N 346.427 1.698 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)COc2ccc(C)cc2)C1 225807281 QVGYKTKQQVZNOM-OAHLLOKOSA-N 343.383 1.852 0 40 EDAB CN(C)CCN(CC(=O)O)C(=O)c1sccc1Br 195542579 NVLYHTUVNYKIAV-UHFFFAOYSA-N 335.223 1.599 0 40 EDAB O=C(NCc1cnc2n1CCN(Cc1cccs1)C2)c1ccno1 96201192 JFYLTYQEZQFXOC-UHFFFAOYSA-N 343.412 1.878 0 40 EDAB CC(C)(NC(=O)CCC(=O)N1CCC(O)CC1)c1cccc(F)c1 96487374 OUXLDILPXUHWDP-UHFFFAOYSA-N 336.407 1.941 0 40 EDAB O=C(c1cnccn1)N1CCO[C@]2(CCCN(c3cccnc3)C2)C1 96226347 UYCAGPCWKNOJFQ-SFHVURJKSA-N 339.399 1.383 0 40 EDAB COC(=O)[C@H](NC(=O)CSC[C@H]1CCCCO1)c1cccnc1 579252088 SQJBAWQTNPTMOG-UKRRQHHQSA-N 338.429 1.714 0 40 EDAB O=c1[nH]cccc1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCOCC1 95476263 JJRHLVZJTPUZRP-LLVKDONJSA-N 330.344 1.340 0 40 EDAB O=C(c1csnn1)N1CCO[C@H]2[C@@H]1CC[C@@H]2CNc1cccnc1 96082612 WHFIKGWGAVNSFD-BYCMXARLSA-N 345.428 1.665 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)c2cccc(F)c2Cl)CC1 96430800 BROVJPIDHFWLRZ-UHFFFAOYSA-N 348.827 1.881 0 40 EDAB Cc1noc(C)c1CCCNS(=O)(=O)c1cc(Cl)cnc1N 96483680 IXZDBIRBDWRPDM-UHFFFAOYSA-N 344.824 1.833 0 40 EDAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(Cc1ncnn1C)CC2 580201895 JYJGKTYLQHECBJ-ZDUSSCGKSA-N 346.387 1.406 0 40 EDAB Cc1cc([C@@H](C)NC(=O)N2CCO[C@H](c3nncn3C)C2)c(C)o1 583622865 KBPSRPJWORDSDR-RISCZKNCSA-N 333.392 1.869 0 40 EDAB CCc1cnc(CNC(=O)NC[C@@H](C)N2CCOC[C@@H]2C)s1 96440572 DZIWFYWDSUGFNV-NEPJUHHUSA-N 326.466 1.614 0 40 EDAB CC(C)(CN1CCC[C@@H]1C(=O)NCC1CCCCC1)S(C)(=O)=O 93765126 OPWQJSBBMORJJP-OAHLLOKOSA-N 344.521 1.971 0 40 EDAB CN(C)Cc1cnc2n1CCN(C(=O)NCc1cccc(F)c1)CC2 96196799 SLZYKLSHBMOLQA-UHFFFAOYSA-N 345.422 1.852 0 40 EDAB CCOC[C@H]1C[C@]2(COCCN2S(=O)(=O)c2cccs2)CO1 96240740 UCVZUUQCPFVBMA-OCCSQVGLSA-N 347.458 1.333 0 40 EDAB Cc1cn2c(=O)c(C(=O)NCCc3csc(C)n3)cnc2s1 92865295 FFTXCQSEUPDRQY-UHFFFAOYSA-N 334.426 1.802 0 40 EDAB CCCS(=O)(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 96421264 ATYJTTIFVVAOKI-HOCLYGCPSA-N 326.462 1.605 0 40 EDAB O=C(c1ccc(O)cc1)N1C[C@@H]2OCCN(c3cccnc3)[C@@H]2C1 96081754 NZLVTSCYWGUQPC-SJORKVTESA-N 325.368 1.517 0 40 EDAB COC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 242543518 KDGARTSPQVYESW-YNEHKIRRSA-N 348.262 1.551 0 40 EDAB Cc1noc(C)c1C(=O)NCCN1Cc2cc(F)ccc2OCC1=O 245026577 NBCUKIZDIUJAIN-UHFFFAOYSA-N 347.346 1.582 0 40 EDAB CCCCS(=O)(=O)N1CC[C@@H](CNc2noc(C(C)(C)C)n2)C1 585080335 NRTWDPFZRPMPPH-LBPRGKRZSA-N 344.481 2.231 0 40 EDAB Cn1cnc2c1[C@@H](C(=O)NCc1ccco1)CN(C1CCOCC1)C2 248074099 YOYMQOGKVSUTMS-HNNXBMFYSA-N 344.415 1.408 0 40 EDAB CC(=O)NCc1cnc([C@@H]2CN(C(=O)c3ccccc3)CCO2)[nH]1 257264669 LVNSJNNXMXBWOS-HNNXBMFYSA-N 328.372 1.260 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257286111 PKHZZEFKDHZIRO-RHSMWYFYSA-N 345.326 1.819 0 40 EDAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 257256216 KKMZCHQTGQESDQ-ZDUSSCGKSA-N 336.421 1.118 0 40 EDAB CN(Cc1ncc(Cl)n1C)C(=O)c1cn([C@H]2CCCNC2)cn1 585655561 YZWIRJQMXKJKFA-NSHDSACASA-N 336.827 1.467 0 40 EDAB O=C(c1cncs1)N1CCC(c2cc(O)n3nccc3n2)CC1 257342102 ZNCMWHLXUHCUPO-UHFFFAOYSA-N 329.385 1.911 0 40 EDAB COc1ccccc1[C@H]1CNCCN1S(=O)(=O)c1cccnc1 257252899 JWOUTWHVGDASLW-OAHLLOKOSA-N 333.413 1.425 0 40 EDAB CC(=O)NCc1cnc([C@H]2CN(C(=O)c3ccccc3)CCO2)[nH]1 257264670 LVNSJNNXMXBWOS-OAHLLOKOSA-N 328.372 1.260 0 40 EDAB CN(C)Cc1cnc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)[nH]1 257322374 WFSPNLXRYAQMCQ-HNNXBMFYSA-N 346.435 1.048 0 40 EDAB COc1nc(OC)nc(N2CCN(C(C)=O)[C@H](c3ccccc3)C2)n1 257280485 OLBNHZIGUYTKIJ-AWEZNQCLSA-N 343.387 1.299 0 40 EDAB O=C(CC1(O)CCCCC1)N1CCC[C@](O)(CN2CCCC2)CC1 257251646 JRORBLDVKVEGCG-LJQANCHMSA-N 338.492 1.911 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@H]3COc4ccccc4O3)CCO2)n1 266112537 NDUIVQSBPWPFPQ-ZIAGYGMSSA-N 344.371 1.107 0 40 EDAB O=S(=O)(NCCC1CC1)c1cnc(N2CCOCC2)c(Cl)c1 1615045927 LBCPXFKMRGQXCY-UHFFFAOYSA-N 345.852 1.650 0 40 EDAB c1csc(-c2noc(CN3CC4(CCNCC4)[C@H]4COC[C@H]43)n2)c1 1615589882 MGWWEATUMKHKOH-QWHCGFSZSA-N 346.456 1.999 0 40 EDAB C[C@H]1CCN(C(=O)C[C@H](N2CCOCC2)C(F)(F)F)CCS1 1615586976 TVQNQIPIDGUDMY-RYUDHWBXSA-N 340.411 1.994 0 40 EDAB Cc1cccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 1615571540 KMVHGJAZVMJURE-NEPJUHHUSA-N 336.392 1.492 0 40 EDAB Cc1cc(C)c(C)c(OS(=O)(=O)C[C@H]2CCS(=O)(=O)N2C)c1 1615587473 MUUYANDYVMMMTH-CYBMUJFWSA-N 347.458 1.354 0 40 EDAB CCn1cc(CN(CCO)C(=O)c2nn(C)c3c2CCCC3)cn1 1615622029 ZXHDPSNYNAMTNP-UHFFFAOYSA-N 331.420 1.150 0 40 EDAB CCOc1ccc(CC(=O)N2CCN(Cc3cnn(C)c3)CC2)nc1 1615621945 IUTGCLCQYVHWRN-UHFFFAOYSA-N 343.431 1.101 0 40 EDAB CCCCC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cccnc3)[C@H]2C1 575404435 MEZNEICARNAKKG-ARFHVFGLSA-N 331.416 1.475 0 40 EDAB CNc1ncc(CN2CC[C@@](COc3ccc(C)cc3)(OC)C2)cn1 585275473 CKRKRXMSBNUPAG-LJQANCHMSA-N 342.443 2.497 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1 585141097 PKNWCTCZGHBJOR-SJLPKXTDSA-N 332.444 1.996 0 40 EDAB COc1ncc(C(=O)NC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 585285785 RWSDGJZYRKQAJR-DAXOMENPSA-N 343.383 1.434 0 40 EDAB COC[C@@]1(CC(N)=O)CN(C(=O)Cc2ccccc2Cl)CCO1 585277548 IMKHLHYJXCPDQZ-MRXNPFEDSA-N 340.807 1.002 0 40 EDAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CC(Cn2cncn2)C1 826600886 ULNIJKYVFVVDKA-UHFFFAOYSA-N 330.772 1.391 0 40 EDAB CNC(=O)COc1ccc(CNC(=O)Cc2cccc(F)c2)cc1 55856645 ULNXUXGNQFYUBS-UHFFFAOYSA-N 330.359 1.809 0 40 EDAB CC(C)COC1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 55910804 LAKUQWXJWVLFMI-UHFFFAOYSA-N 344.415 1.455 0 40 EDAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC(C)(C)C)c1 16090515 UGWFLAHRBKPYOI-UHFFFAOYSA-N 329.374 1.337 0 40 EDAB COC[C@](C)(O)CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 75170451 FMDWELLUSAWBCV-GFCCVEGCSA-N 341.351 1.522 0 40 EDAB Cc1ccc(C(=O)N2CCN(Cc3csc(C)n3)CC2)c(=O)[nH]1 75119254 BXRCKBHFCXFCHP-UHFFFAOYSA-N 332.429 1.406 0 40 EDAB CS(=O)(=O)CCC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F 89484242 MQEGOEZKOOBSES-LLVKDONJSA-N 327.299 1.980 0 40 EDAB CN(C)c1ccnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1 301685200 LFYTUQJJJDWGCU-UHFFFAOYSA-N 346.479 1.067 0 40 EDAB CSCC[C@H](O)CNC(=O)C(=O)NCc1ccc(Cl)cc1 1775967090 DZRCGSXYMNNOLF-LBPRGKRZSA-N 330.837 1.186 0 40 EDAB CCOC(=O)C1=NN[C@H](S(=O)(=O)C(C)(C)C)[C@H]1c1ccccc1 5048843 BYCRYVXIRAYLCZ-GXTWGEPZSA-N 338.429 1.832 0 40 EDAB O=C(Nc1nccs1)[C@H]1CCCN1S(=O)(=O)c1cccs1 5298786 CTAHEKPYCKZVRM-SECBINFHSA-N 343.455 1.996 0 40 EDAB O=C(C[C@@H]1C=CCC1)N1CCc2c(O)nc(-c3cnccn3)nc2C1 13268112 KCPVJBLOIRGTBV-GFCCVEGCSA-N 337.383 1.880 0 40 EDAB O=C(NC1CCCC1)[C@@H]1CCN(Cc2ccnc(N3CCCC3)n2)C1 19747765 GAPLGEIWAFQSEB-OAHLLOKOSA-N 343.475 1.958 0 40 EDAB COCCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 19818776 NTPJMIMKFVGZDI-UHFFFAOYSA-N 331.372 1.276 0 40 EDAB CC(C)[C@@H](Cn1ccnn1)NS(=O)(=O)c1ccc2c(c1)CCO2 575608140 LWOUKWHICZDNSH-CQSZACIVSA-N 336.417 1.216 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CC[C@H](Oc3ccncc3)C2)c1 154090875 SGFOXSVARIBKPE-AWEZNQCLSA-N 336.417 1.701 0 40 EDAB c1cc(C2CC2)nnc1OC[C@H]1CCN(c2ccc3nncn3n2)C1 1888882091 GYMHHOOSBOIMTH-LBPRGKRZSA-N 337.387 1.697 0 40 EDAB NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(Cl)o2)cc1 25462593 BCBMFNJVKZGGLL-UHFFFAOYSA-N 328.777 1.652 0 40 EDAB O=C(c1cc[nH]n1)N1C[C@H](OCCCn2cccn2)[C@H]2OCCC[C@H]21 1565551333 LXPZPVYOJGISNH-PMPSAXMXSA-N 345.403 1.085 0 40 EDAB O=C(c1cnn2c1CN(C(=O)C1(F)CCC1)CCC2)N1CCCC1 1565549763 BTQWFNVRNPGQLH-UHFFFAOYSA-N 334.395 1.744 0 40 EDAB Cc1cc([C@H](O)CNS(=O)(=O)c2ccc3c(c2)CCO3)c(C)o1 1565519987 APESODIHJNJKTF-OAHLLOKOSA-N 337.397 1.843 0 40 EDAB CC(C)c1ccc(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 4505363 NJPQSQOXUACRDF-CYBMUJFWSA-N 331.459 1.618 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 5353356 HSUIWGMNHIVFCA-CQSZACIVSA-N 348.399 1.113 0 40 EDAB CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCOCC3)cn2)cc1 13809107 JBDVHRQHYZJWES-UHFFFAOYSA-N 343.383 1.168 0 40 EDAB Cc1ncsc1CN1CCC[C@](C(=O)N(C)C)(n2ccnc2)C1 2055771965 NHRPANFNKQLBBG-INIZCTEOSA-N 333.461 1.728 0 40 EDAB O=C([C@H]1CN(c2ccc(F)cn2)CCO1)N1CCC(F)(F)CC1 2086881816 FUFWYIMUYJSXAU-GFCCVEGCSA-N 329.322 1.684 0 40 EDAB Cc1cnn(CCN2CCN(c3nccc(N4CCCC4)n3)CC2)c1 2086884361 GSNOZAGXHUOIOO-UHFFFAOYSA-N 341.463 1.404 0 40 EDAB O=S(=O)(NCc1cn(-c2cccnc2)nn1)c1ccccc1Cl 575414522 VPURYYRKWAIOPD-UHFFFAOYSA-N 349.803 1.794 0 40 EDAB COC1CCN(C2CN(S(=O)(=O)/C=C/c3ccccc3)C2)CC1 575609910 BCYLRYCKJBRFQD-FMIVXFBMSA-N 336.457 1.782 0 40 EDAB C=CCn1c(=O)n(CC=C)c(=O)n(C/C=C/c2ccccc2)c1=O 15520188 IRYKBSDRJUDEGN-DHZHZOJOSA-N 325.368 1.257 0 40 EDAB CN(C)C(=O)N1CCN(Cn2nnc(-c3ccc(Cl)cc3)n2)CC1 40091188 QOFJQSUIOYHYKA-UHFFFAOYSA-N 349.826 1.250 0 40 EDAB CCN1C[C@@H](CN(C)S(=O)(=O)N(CC)CC)Oc2ccccc21 40040793 LPLYJSMUDIQAHG-CQSZACIVSA-N 341.477 1.792 0 40 EDAB Cc1ccc(-c2noc(CN3C(=O)C(=O)N(C(C)C)C3=O)n2)cc1F 40488074 JUNRCYZCFUEOBR-UHFFFAOYSA-N 346.318 1.883 0 40 EDAB CCn1c(=O)c(C)nc2cc(C(=O)NCCCN3CCCC3)ccc21 40475478 XPQPVWUCZMQVKF-UHFFFAOYSA-N 342.443 1.941 0 40 EDAB COCCNC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(F)cc1Cl 40496779 RVPCHZODQFXWPJ-SECBINFHSA-N 337.800 1.545 0 40 EDAB Cc1ccc(-c2nnc3ccc(N4CCN(CCO)CC4)nn23)cc1 20622456 BSTIODLTNRXKQS-UHFFFAOYSA-N 338.415 1.214 0 40 EDAB O=c1[nH]c2nc(NCc3ccccn3)ncc2c(=O)n1C1CCCC1 101462549 YNOMEBPJJFHVNG-UHFFFAOYSA-N 338.371 1.602 0 40 EDAB O=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2F)nc1CO 21149084 DLYBLIFIFPJXGC-UHFFFAOYSA-N 344.321 1.968 0 40 EDAB NS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 32656891 ASPLFYREOAKRFY-OAHLLOKOSA-N 337.445 1.096 0 40 EDAB O=C(CCc1nc(-c2cccnc2)no1)N1CCO[C@@H]2CCC[C@H]21 53384754 KFBRMDRKAIRZTR-ZIAGYGMSSA-N 328.372 1.844 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1 41838411 RYBCKSUZRSZCRH-SNVBAGLBSA-N 331.294 1.360 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)c1cncc(Br)c1 42317086 VBCDPHQGLAWJTQ-UHFFFAOYSA-N 336.193 1.654 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 23530505 BJGQWGVJGIDTJA-BBATYDOGSA-N 345.399 1.593 0 40 EDAB Oc1ccc(N2CCN(C[C@H](O)COC[C@@H]3CCCO3)CC2)cc1 23624648 XDGCXLFDHUKUGF-ROUUACIJSA-N 336.432 1.071 0 40 EDAB Cc1ccc(SCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 47647150 UZEYEIJXBIDISP-MRXNPFEDSA-N 348.468 1.937 0 40 EDAB CC(C)N(C)C(=O)c1ccc(CNC(=O)N2CCNC(=O)[C@@H]2C)cc1 78789817 LNHLCNCZJGUIEE-ZDUSSCGKSA-N 346.431 1.197 0 40 EDAB Cn1cc(S(=O)(=O)N2CC[C@H](OCCCc3ccccc3)C2)cn1 79044687 CSJFZFRCJMVLIQ-INIZCTEOSA-N 349.456 1.833 0 40 EDAB Cc1ccc(S(=O)(=O)NC(=O)c2cnc(N(C)C)s2)cc1 1582768 KXBUGGGHPSJFMP-UHFFFAOYSA-N 325.415 1.636 0 40 EDAB Cc1ccccc1-c1noc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)n1 106868057 PZZKVCTZPLMFSK-GJZGRUSLSA-N 330.432 1.932 0 40 EDAB CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NCc1ccncc1 12553976 KRZJHSTVJWGTJV-SFHVURJKSA-N 341.411 1.918 0 40 EDAB Cc1ccc(-n2cnnn2)cc1NCC(=O)N1CCc2ccccc2C1 55856171 SGKHBBQAYOHIRU-UHFFFAOYSA-N 348.410 1.968 0 40 EDAB O=C(NCCc1ccccn1)[C@@H]1CCCN(C(=O)c2ccco2)C1 25323009 SIZOWTVAKAECAF-CQSZACIVSA-N 327.384 1.886 0 40 EDAB OCCNc1nc(NCCC2=CCCCC2)nc(N2CCOCC2)n1 4602596 FYQCVNIZJLRPCX-UHFFFAOYSA-N 348.451 1.415 0 40 EDAB C[C@@H]1CCCCN1S(=O)(=O)NC1CCN(c2ncccn2)CC1 56058961 NQECEKUTUMGTJV-CYBMUJFWSA-N 339.465 1.154 0 40 EDAB CN(C)CCNC(=O)/C(=C\c1cccn1C)NC(=O)c1ccccc1 4983516 YCRIKEPOEDFHPF-SAPNQHFASA-N 340.427 1.474 0 40 EDAB CN1CCN(c2ncc(CNCc3cc(Cl)cn3C)cn2)CC1 95416712 FRPSLVAXASZAJM-UHFFFAOYSA-N 334.855 1.510 0 40 EDAB COc1ncccc1NC(=O)N1CCN(Cc2cscn2)CC1 56503116 TURBRHRUAFUNLA-UHFFFAOYSA-N 333.417 1.896 0 40 EDAB O=C(Nc1cnccn1)[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncccn2)O1 107714352 NTPOTRCLJSPAAT-UPJWGTAASA-N 326.360 1.032 0 40 EDAB CNc1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 7786226 FURHHDSDSRXXPQ-UHFFFAOYSA-N 326.352 1.771 0 40 EDAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)N[C@H]1CCS(=O)(=O)C1 57420084 QHGVYFGAPPADHT-RYUDHWBXSA-N 347.440 1.984 0 40 EDAB CC1CCC(C)(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 58191363 CMSCGVBMRDYMNO-UHFFFAOYSA-N 337.445 1.569 0 40 EDAB Cc1cc(NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)no1 44968602 UVPBLQQAGKOMBZ-UHFFFAOYSA-N 330.392 1.452 0 40 EDAB CN(C)C(=O)CN1CCCN(Cc2coc(-c3cccs3)n2)CC1 44933949 PLGJELZVJQODPC-UHFFFAOYSA-N 348.472 1.999 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CN(CC(N)=O)C2CCCC2)c1 44977688 HMLMACQCJMXXOQ-UHFFFAOYSA-N 339.461 1.167 0 40 EDAB COC(=O)[C@@H](NC(=O)NCCc1ccc(OC)c(OC)c1)C(C)C 2100557 UGFPQMXJACIPOL-HNNXBMFYSA-N 338.404 1.743 0 40 EDAB biogenic CN(C[C@H](O)c1ccc(F)cc1)C1=NS(=O)(=O)c2ccccc21 95351050 CKZQLOKQBSUZTB-AWEZNQCLSA-N 334.372 1.940 0 40 EDAB CNC(=O)c1cccc(CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)c1 58357987 XRQYIUYSOCZFAI-UHFFFAOYSA-N 349.431 1.966 0 40 EDAB COc1ccc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1OC 28013843 CKOXKENTGRDZJK-OAHLLOKOSA-N 336.432 1.790 0 40 EDAB COc1ccc(CC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1 58411984 GPTQTLUKKQXRTN-UHFFFAOYSA-N 340.445 1.120 0 40 EDAB Cc1cc(C(=O)Nc2ccn(CC(=O)N3CCN(C)CC3)n2)c(C)o1 95399045 NPEBTFBCEXDSMV-UHFFFAOYSA-N 345.403 1.119 0 40 EDAB C[C@@H](CNC(=O)Cn1cnc2ccc(F)cc2c1=O)CN1CCCC1 47905210 HDEMYAKSNCNFAO-ZDUSSCGKSA-N 346.406 1.384 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]1O2 107264527 SRGMSWYQTUKVBJ-OKZBNKHCSA-N 338.411 1.382 0 40 EDAB O=C(COc1ccc(F)cc1)NCc1ccc(N2CCOCC2)nc1 11129586 YWPDLJMYGORPAN-UHFFFAOYSA-N 345.374 1.753 0 40 EDAB COc1ccc(C(=O)NC(=S)Nc2ncccc2O)c(OC)c1 2431032 HTJWNNPBXWFDQE-UHFFFAOYSA-N 333.369 1.931 0 40 EDAB O=C(NCCCn1cncn1)N1CC=C(c2ccc(O)cc2)CC1 45647129 PCFYMRSZRREXQW-UHFFFAOYSA-N 327.388 1.873 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C)C2)cc1 11502190 AHGOJUWBIZVNLF-STQMWFEESA-N 340.445 1.624 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1C 46198841 BBPCZXTZYSTXTJ-AWEZNQCLSA-N 347.440 1.654 0 40 EDAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 104850935 OPDLGRLTSKKLMS-LXFSFDBISA-N 329.352 1.321 0 40 EDAB O=C(/C=C/c1ccccc1)N1CCN(c2ncnc3[nH]cnc23)CC1 12322297 QVYOIAJOBJGZRJ-VOTSOKGWSA-N 334.383 1.715 0 40 EDAB CC(C)Cn1nnnc1SCCNS(=O)(=O)c1ccccc1 48188838 GAIYETKZASXRIB-UHFFFAOYSA-N 341.462 1.400 0 40 EDAB Cc1cc(C)c(CNC(=O)N(CCO)Cc2ccccc2)c(=O)[nH]1 75117973 CIWCLPPHURSDAL-UHFFFAOYSA-N 329.400 1.696 0 40 EDAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCC(O)CC1 12805873 JOJYGKQBNVZNQU-UHFFFAOYSA-N 339.823 1.194 0 40 EDAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CCCC1 12927931 BUSHDMGUCHEQSW-HNNXBMFYSA-N 349.456 1.809 0 40 EDAB COc1ccccc1CNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 13130127 CMKPATLRJUXTAO-GJZGRUSLSA-N 344.411 1.877 0 40 EDAB CCOC(=O)C[C@@](C)(O)CNS(=O)(=O)c1ccc(C)cc1F 96008943 PMVLLNKUKSVPEP-CQSZACIVSA-N 333.381 1.117 0 40 EDAB CC(C)n1nnnc1-c1ccccc1NC(=O)NCc1cnn(C)c1 96010810 BFWLXFNQLPDPOL-UHFFFAOYSA-N 340.391 1.976 0 40 EDAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 5194632 BLDASEPWZHYJNK-UHFFFAOYSA-N 332.312 1.858 0 40 EDAB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC2(CC1)OCCO2 5122988 TXGWYOWRGPIDQJ-CQSZACIVSA-N 345.399 1.340 0 40 EDAB O=C1CC[C@H](C(=O)NCc2cccc(OCc3ccccn3)c2)N1 65440050 OOABFSKUZOVTAK-MRXNPFEDSA-N 325.368 1.555 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1ccc(OCC(C)C)nc1)CC2 65540432 RSHIYZQYKQWFRV-AWEZNQCLSA-N 329.404 1.761 0 40 EDAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 6589892 OVBACNKESQLJGT-KRWDZBQOSA-N 341.323 1.393 0 40 EDAB Cc1c(C(=O)NCc2n[nH]c(=S)n2C)cnn1-c1ccccn1 66625904 KAOCAHKBDWBTNS-UHFFFAOYSA-N 329.389 1.297 0 40 EDAB COc1nc(C)cc(C)c1CNC(=O)Cc1c(C)nc(C)[nH]c1=O 66780105 GBBTXSAIXSXPPP-UHFFFAOYSA-N 330.388 1.266 0 40 EDAB CCC(=O)N1CCC[C@H](C(=O)N2CCCN(CCCOC)CC2)C1 71792370 KLBXJKWRQSZTKM-INIZCTEOSA-N 339.480 1.206 0 40 EDAB COc1ccccc1[C@H](CNC(=O)c1ccc(=O)[nH]c1)N1CCCC1 71798384 WRVUPHTXXRAYKB-INIZCTEOSA-N 341.411 1.950 0 40 EDAB CN(CCNC(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1 83697013 QDGJWUVPSDLHKU-UHFFFAOYSA-N 328.420 1.830 0 40 EDAB Cc1ncc(C(=O)N2CCN(C3CCOCC3)CC2)c(C(C)C)n1 81033808 FARQWIPISRDAPF-UHFFFAOYSA-N 332.448 1.845 0 40 EDAB COCCCCNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 70003870 KAIWKXMJORKEGE-UHFFFAOYSA-N 326.418 1.301 0 40 EDAB Cc1nnc2ccc(N3CCN(Cc4noc(C(C)C)n4)CC3)nn12 70011802 HJGQMAHLUHTBMM-UHFFFAOYSA-N 342.407 1.261 0 40 EDAB Cc1ccoc1C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 69350069 KTVUJYLYOHJUCX-UHFFFAOYSA-N 342.399 1.452 0 40 EDAB COc1cc(CC(=O)N2CC[S@](=O)C[C@@H]2C)cc(OC)c1OC 71916604 ZWHSVQVHLXTVCM-BSNNYGBQSA-N 341.429 1.234 0 40 EDAB CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 69417780 WQFJGAUDJVVFKE-KBPBESRZSA-N 330.392 1.148 0 40 EDAB C[C@@H](c1cccc(F)c1)N1CCN(c2cncc(C(N)=O)n2)CC1 91629003 YPTSEPCVLMZFRR-LBPRGKRZSA-N 329.379 1.598 0 40 EDAB Cc1nc(CSCC(=O)N[C@](C)(Cc2ccccc2)C(=O)O)no1 89718430 AIFZMOXYCGCEMG-MRXNPFEDSA-N 349.412 1.813 0 40 EDAB COc1ccc(OCCNC(=O)N2CCC(N(C)C(C)=O)CC2)cc1 69539034 JARJGEYINWOUMS-UHFFFAOYSA-N 349.431 1.726 0 40 EDAB CCN1CC[C@@H](N(C)C(=O)Nc2ccc(N3CCOCC3)nc2)C1 69664022 RGXOEJKWVHYVGH-OAHLLOKOSA-N 333.436 1.476 0 40 EDAB CCOC(=O)CN(C)C(=O)CN1CCC(OCc2ccccc2)CC1 69660567 YYCXOKZTCKBPRB-UHFFFAOYSA-N 348.443 1.689 0 40 EDAB CCc1n[nH]c([C@H]2CN([C@@H]3CCN(c4ccccc4)C3=O)CCO2)n1 89289815 FAACHRGDPPAHMX-HUUCEWRRSA-N 341.415 1.546 0 40 EDAB C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 72277873 XQRBTVHQYXJVOE-XQQFMLRXSA-N 327.425 1.863 0 40 EDAB c1ccc(-n2nnc3c(N4CCc5cncnc5C4)ncnc32)cc1 72276298 VNUCAKNXOYJKDT-UHFFFAOYSA-N 330.355 1.563 0 40 EDAB C[C@@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)CN1CCOCC1 72291764 NFPJHUZQVHDGDC-AWEZNQCLSA-N 345.443 1.733 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)[C@H]1Cc3cc(Cl)ccc3O1)CC2 97198236 MBFLICQOGLUVLL-GXTWGEPZSA-N 346.818 1.929 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1ccc(N3CCCC3=O)cc1)CC2 97198311 RTLMFYVEPAFYEL-CQSZACIVSA-N 339.399 1.458 0 40 EDAB Cc1cccn2c(CN[C@H]3CCN(S(C)(=O)=O)C[C@@H]3C)cnc12 72300545 CTUJAYZVKCJZBW-ZFWWWQNUSA-N 336.461 1.402 0 40 EDAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc2c1OCO2 72300593 MSBVOJJCKJGORD-AAEUAGOBSA-N 326.418 1.175 0 40 EDAB C[C@@H](CNC(=O)NCc1nnc2ccccn12)N1C[C@@H](C)O[C@H](C)C1 89930294 COGZEMNBEXJYOL-BFHYXJOUSA-N 346.435 1.026 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)c2ccc(N3CCCC3)nn2)no1 76043186 YSRGOQUYNWGNLV-CYBMUJFWSA-N 328.376 1.746 0 40 EDAB CC(C)[C@@H](NC(=O)NCCS(C)(=O)=O)c1nc2ccccc2[nH]1 76037705 DHFREGWNFAFKDX-CYBMUJFWSA-N 338.433 1.604 0 40 EDAB CCO[C@H]1C[C@H](N(C)Cc2cc(=O)n(C)c(=O)n2C)C12CCCCC2 76040592 CBGVBZDKIGFOGG-HOTGVXAUSA-N 349.475 1.644 0 40 EDAB CCN1C[C@@H](NS(=O)(=O)c2cc(OC)c(OC)cc2F)[C@H](C)C1 76058505 PZWCOHRKEIZOGX-ZYHUDNBSSA-N 346.424 1.461 0 40 EDAB CCS(=O)(=O)NC[C@H]1CO[C@@H]2CN(Cc3sccc3C)C[C@H]12 306142470 XAFHWDAWFJBYLI-BFHYXJOUSA-N 344.502 1.443 0 40 EDAB Cc1cc2c(nc1C)sc1c(=O)n(CCN3CCOCC3)cnc12 20676655 DJHZSDZNCVOZRG-UHFFFAOYSA-N 344.440 1.955 0 40 EDAB CCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](C)(O3)[C@@H]2C1=O 408728644 QMBQAJPMXVRNJR-ZUMXRPEOSA-N 327.336 1.696 0 40 EDAB COc1ccc([C@@]2(Cc3cccc(OC)c3)NC(N)=NC2=O)cc1 71974451 CWGJSEBJGFLLGW-GOSISDBHSA-N 325.368 1.586 0 40 EDAB CN1C[C@H](C(=O)NCCc2nc(-c3ccccn3)cs2)CC1=O 78912570 KNXXZIVJKFXINK-LLVKDONJSA-N 330.413 1.342 0 40 EDAB Cc1nc(N2CCN(C=O)CC2)ccc1CNC(=O)OC(C)(C)C 72224721 VRHJZYPHLVCOED-UHFFFAOYSA-N 334.420 1.693 0 40 EDAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCC1(c2ccccc2)CC1 26675513 TUUZORLDBFDNEM-HNNXBMFYSA-N 336.457 1.649 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC=C(C(=O)O)C2)cc1OC 72226952 OSMKQKLUYAHDNW-UHFFFAOYSA-N 327.358 1.109 0 40 EDAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccnc1 71980364 XCEVSOMLJFCQBX-CQSZACIVSA-N 333.388 1.209 0 40 EDAB COCCCN(Cc1ccnc(Cl)c1)[C@H]1CCS(=O)(=O)C1 78776768 IXUXXYXLYROETF-ZDUSSCGKSA-N 332.853 1.761 0 40 EDAB CC1(C)CN(CCNC(=O)c2cnccc2C(F)(F)F)CCO1 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O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cn(CC(=O)N2CCCC2)nn1 95401248 CLSHCUHOQYEAGZ-GJZGRUSLSA-N 345.447 1.599 0 40 EDAB CN(C)CCOC[C@H]1CN(C(=O)[C@H]2CC=CCC2)Cc2nnn(C)c21 96198535 CUAHIMKQAJDPGB-LSDHHAIUSA-N 347.463 1.175 0 40 EDAB Cc1cc(N2CCOCC2)nc(CNC(=O)COc2ccccc2)n1 96120902 YJWDZYPYKVVFIO-UHFFFAOYSA-N 342.399 1.317 0 40 EDAB Cc1noc(C[C@@H]2CO[C@@H]3CN(C(=O)Cc4cccs4)C[C@H]23)n1 96218936 XPLNFIHAICBNQQ-MRVWCRGKSA-N 333.413 1.698 0 40 EDAB Cc1ccc(C(=O)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@H]32)cn1 96185064 PUUOMRCRLMCWEM-KSZLIROESA-N 339.395 1.841 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2c(CC)nn(C)c2CC)C1 97235598 GUBLUHWLJZIGAQ-LBPRGKRZSA-N 328.482 1.059 0 40 EDAB c1cc(-c2nnn3c2CO[C@H](CNCc2nccs2)C3)ccn1 96087218 MDEYWWBPKVHXKL-GFCCVEGCSA-N 328.401 1.485 0 40 EDAB Cc1ccc(C)c(NC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)c1 96410799 OOBGHCKPQRLJON-AWEZNQCLSA-N 341.415 1.371 0 40 EDAB Cc1cc(C(=O)N[C@@H]2CCN(C(N)=O)C2)nn1-c1ccccc1Cl 96494419 QTWYDMFOQYHDLI-LLVKDONJSA-N 347.806 1.717 0 40 EDAB CCN1CCC[C@@H](CN(C)C(=O)Cn2cccn2)[C@@H]1c1cnn(C)c1 583622203 XYECNHYGGJUGLY-MAUKXSAKSA-N 344.463 1.548 0 40 EDAB N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cn2nnc3ccccc32)C1 583619886 VMCDRTRRVJULQU-CABZTGNLSA-N 327.310 1.312 0 40 EDAB Cc1nc(C)c(C)c(N2CCN(C(=O)Cc3c(C)noc3C)CC2)n1 96474570 FLMIIROLYKEZSV-UHFFFAOYSA-N 343.431 1.898 0 40 EDAB CN(Cc1cncnc1)[C@@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12 96186017 LTLMTHVSMONVJW-INMHGKMJSA-N 345.472 1.797 0 40 EDAB O=C(c1cnccn1)N1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 96222465 LENMKJGMVWUZSX-MAUKXSAKSA-N 340.383 1.714 0 40 EDAB COc1ncccc1CN1Cc2cncn2[C@H](CN2CCCC2=O)C1 247839294 KJJWIAUMGVAMIU-INIZCTEOSA-N 341.415 1.466 0 40 EDAB Cc1cccc(CN2CC3(C[C@H](OCC(=O)N(C)C)CCO3)C2)n1 248014762 QCZHKYBUFOVFMZ-MRXNPFEDSA-N 333.432 1.228 0 40 EDAB COC(=O)c1cc(=O)n(CC(=O)c2ccc3c(c2)CCCC3)cn1 585132997 LSSBKQABOYPTDM-UHFFFAOYSA-N 326.352 1.792 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NCC2CS(=O)(=O)C2)C1 585137591 ICDFORXSPCPNDZ-BETUJISGSA-N 345.509 1.087 0 40 EDAB Cn1cccc1C(=O)N1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 248151446 UHHPXMLPSUAMSY-SQWLQELKSA-N 326.400 1.619 0 40 EDAB COC[C@@H](NC(=O)NCc1cnc(Br)cn1)C1CC1 585136992 BOPSOIWYPBMGAX-SNVBAGLBSA-N 329.198 1.463 0 40 EDAB CC(C)S(=O)(=O)N1CCC(Cc2cnc(CN(C)C)cn2)CC1 257337687 YTYUYISNMLULIZ-UHFFFAOYSA-N 340.493 1.531 0 40 EDAB CNC(=O)[C@H]1CNCCN1C(=O)Cc1c(C)[nH]c2ccc(Cl)cc12 257322894 WHWAIWLNJSBDIJ-OAHLLOKOSA-N 348.834 1.219 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCO[C@H](c3cccc(N)n3)C2)c1 257229645 FYXHLGXXCGFBJA-INIZCTEOSA-N 343.383 1.895 0 40 EDAB C[C@@H]1CN(C(=O)NCCc2cccc3[nH]ccc23)CCS(=O)(=O)C1 253398527 WSTFWKCPOQPHRY-CYBMUJFWSA-N 349.456 1.787 0 40 EDAB O=C(N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O)c1cccc(F)c1 257238882 HMYNFPBZFNQCDL-BRWVUGGUSA-N 336.407 1.560 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2ocnc2C)n1 257321413 WBOMMNSESKERKG-AWEZNQCLSA-N 329.360 1.386 0 40 EDAB COc1ccc([C@H]2CNCCN2C(=O)Cc2c(C)n[nH]c2C)cc1 257240272 HSUXNAOLPQDMHW-QGZVFWFLSA-N 328.416 1.751 0 40 EDAB O=C(COc1ccccc1F)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257264628 LVJBZHWTGQYOGB-IIDMSEBBSA-N 336.407 1.699 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1 257208873 BNWJRGAPWYXAJB-ZDUSSCGKSA-N 339.355 1.581 0 40 EDAB COc1ccc([C@@H]2CNCCN2C(=O)CCCN2CCCC2=O)cc1 257342335 ZOELQRNSWYUSAY-KRWDZBQOSA-N 345.443 1.571 0 40 EDAB COc1ccc([C@H]2CN(C(=O)c3cncnc3C)CCN2C)cc1 257294117 QSOMUCIELJXSPB-QGZVFWFLSA-N 326.400 1.923 0 40 EDAB Cc1ccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)s1 26848880 MWYDHYBNPXBKSN-UHFFFAOYSA-N 341.410 1.940 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cn1 257287526 PQIWPUPKJDMGSS-MRXNPFEDSA-N 339.386 1.698 0 40 EDAB CN1C(=O)C2(CCN(Cc3ncc[nH]3)CC2)C[C@H]1Cc1cnccn1 257273192 NFPFCTUFJRPNCZ-OAHLLOKOSA-N 340.431 1.255 0 40 EDAB CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1cnccc1C(F)(F)F 358852968 HTAJVCZSHXSHCQ-MRVPVSSYSA-N 340.323 1.974 0 40 EDAB COc1cccc2c1CC[C@]2(N)c1nc(CC2CCNCC2)no1 1615057501 HNXQMKAWIDYTAO-GOSISDBHSA-N 328.416 1.769 0 40 EDAB CCN(CC)c1ccc(C(=O)N[C@H](C(=O)O)C2CCOCC2)cn1 1615556989 QRVMHYXBRYXYMR-HNNXBMFYSA-N 335.404 1.537 0 40 EDAB COc1cc([C@H](C)NC(=O)c2cnccn2)ccc1S(C)(=O)=O 1615616085 VMOAXEZUYKDFII-JTQLQIEISA-N 335.385 1.380 0 40 EDAB COc1cc([C@H](C)NC(=O)c2ccccn2)ccc1S(C)(=O)=O 1615615738 SDFDNAYXDOJSSK-NSHDSACASA-N 334.397 1.985 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CC(F)(F)C2)C1 585095675 AUIWTQLHZBNFPL-LBPRGKRZSA-N 326.347 1.290 0 40 EDAB Cc1noc(CC(=O)N2C[C@@H]3CN(Cc4csc(C)n4)C[C@H]3C2)n1 585107616 VDCDAGDYKUDYIT-STQMWFEESA-N 347.444 1.276 0 40 EDAB CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H]1Cn1nc(C)cc1C 71870252 DLIOPTVKIDGVFI-CABCVRRESA-N 336.461 1.412 0 40 EDAB Nc1nc(Cl)cc(NCc2ccc(N3CCC(CO)CC3)nc2)n1 44976853 XXNVODNIRXYSAD-UHFFFAOYSA-N 348.838 1.928 0 40 EDAB Cc1ncnc(N2CCN(C(=O)c3onc4c3CCCC4)CC2)c1F 1776009800 RKNQVMIFLHVHEV-UHFFFAOYSA-N 345.378 1.753 0 40 EDAB O=C(c1ccc(Cl)cc1)N1CCN(c2ncnc3[nH]cnc23)CC1 47510680 DGXXKTPQAWGYSS-UHFFFAOYSA-N 342.790 1.969 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1=O 40480995 PATDKFKJRLUXAD-JTQLQIEISA-N 333.310 1.304 0 40 EDAB CCN1CCC(NC(=O)CN2CCC[C@H]2c2c(C)nn(C)c2C)CC1 75133106 SUERFYFNFITNAW-KRWDZBQOSA-N 347.507 1.774 0 40 EDAB CC(C)(C)c1nccc(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 80767326 NPMDATCGHKWIAD-AWEZNQCLSA-N 332.448 1.849 0 40 EDAB O=C(CN1CCC[C@H](c2cccnc2)C1)N1CCC2(CC1)OCCO2 585089980 MUVSNZFGYXLOKT-KRWDZBQOSA-N 345.443 1.627 0 40 EDAB O=C(CN1CCC(O)(c2cccnc2)CC1)NCc1ccccc1F 12113237 LTINGULGXOSEBI-UHFFFAOYSA-N 343.402 1.821 0 40 EDAB CN1C[C@H](C(=O)N2CCC[C@H](n3nnc4cc(F)ccc43)C2)CC1=O 12184857 YIDWMCCDTLDEGD-YPMHNXCESA-N 345.378 1.212 0 40 EDAB CNC(=O)c1cc([C@H]2CN(c3ncccn3)CCO2)nc2ccccc12 19759560 BGFACVFMDCHGLL-QGZVFWFLSA-N 349.394 1.962 0 40 EDAB COc1ccc([C@@H](C)CCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 152103997 UTMJSTUEQTUMME-DZGCQCFKSA-N 346.431 1.608 0 40 EDAB CCn1nc(C)c(S(=O)(=O)NC[C@@H]2Cc3ccccc3CO2)c1C 225787311 OGRIJOOYYHMPHW-INIZCTEOSA-N 349.456 1.940 0 40 EDAB O=C(c1ccc2ccccc2n1)N1CC[C@](O)(CN2CCCC2)C1 1848352027 BODZPUAOHTXEKT-IBGZPJMESA-N 325.412 1.908 0 40 EDAB Cc1nc(N2C[C@@H]3CN(c4cc(=O)n(C)c(O)n4)C[C@@H]3C2)sc1C 1888833984 AGXFJKIJMLZFRB-TXEJJXNPSA-N 347.444 1.132 0 40 EDAB Cc1cc(N2CCN(c3ncc(Cl)cn3)CC2)nc(N(C)C)n1 1888842791 BZAIKGPBNYLYMB-UHFFFAOYSA-N 333.827 1.621 0 40 EDAB Oc1cc(C(F)F)nc(N2CCN(c3ncnc4[nH]ccc34)CC2)n1 1888898040 VPCKGGFMHZVOFG-UHFFFAOYSA-N 347.329 1.718 0 40 EDAB Cc1nc(N2CCN(c3nc(C)ns3)CC2)cc(-n2cccn2)n1 1889138843 YVKKKYPIEMLJPD-UHFFFAOYSA-N 342.432 1.457 0 40 EDAB Cc1cc(O)nc(N2CCC(NC(=O)c3c(C)n[nH]c3C)CC2)n1 238852791 JQFSLWZLODIJKS-UHFFFAOYSA-N 330.392 1.229 0 40 EDAB COCCN1CCC[C@@](CCCc2cnccn2)(C(=O)N(C)C)C1 2037655570 HSWQPXZMTDMUSC-GOSISDBHSA-N 334.464 1.616 0 40 EDAB O=C(OC[C@@H]1CO[C@@]2(O1)C(=O)Nc1ccccc12)c1ccccc1O 4717256 ZLNAFOVWKDDTGL-ZMZPIMSZSA-N 341.319 1.770 0 40 EDAB COCCn1ncc2c1COC[C@H]2CNC(=O)c1cc(C2CC2)on1 2055756457 OVPDXOPIVBQXDW-GFCCVEGCSA-N 346.387 1.439 0 40 EDAB 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CC(=O)N1CCN(C(=O)COC(=O)c2cc3ccccc3s2)CC1 7412734 UJGCANRDMAEENH-UHFFFAOYSA-N 346.408 1.749 0 40 EDAB Cc1cc(C)n2nc(C(=O)N[C@@H](C)CC(=O)c3ccco3)nc2n1 95413764 PSQIBXDWQQEHLP-JTQLQIEISA-N 327.344 1.725 0 40 EDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccccc2C)C(=O)N1 10385075 WCJRKUSCLJHNDJ-OLZOCXBDSA-N 336.413 1.487 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)N1CCN(C(=O)c2ccsc2)CC1 56865485 HQQHMFJSVLLNJM-CYBMUJFWSA-N 347.444 1.501 0 40 EDAB C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)CCS(N)(=O)=O 107511103 SREVEIPEEDBUJH-GOEBONIOSA-N 325.478 1.117 0 40 EDAB CC(=O)Nc1cccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)c1 95471811 KHUZABRNFVCDLF-UHFFFAOYSA-N 329.312 1.144 0 40 EDAB Cc1cc2nc(SCC(=O)NCc3ccccc3)n(C)c(=O)c2[nH]1 57521173 LHWDBOPAXOXFAK-UHFFFAOYSA-N 342.424 1.979 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1cccc(F)c1 10101917 RMYJGYDKZULLLE-UHFFFAOYSA-N 336.388 1.754 0 40 EDAB CCCC(=O)N1CCCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 58177821 NLERMSGAGUFRSP-ZDUSSCGKSA-N 340.468 1.334 0 40 EDAB Cc1cc(NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)no1 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0 40 EDAB Cc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)s2)c1C 45791199 MHVYZCPXXSQVMT-UHFFFAOYSA-N 338.454 1.985 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)[nH]n1 108528710 SRIUUOOZOWVWSK-IRXDYDNUSA-N 341.415 1.229 0 40 EDAB CCOC(=O)c1cnn(CCc2nc3cc(F)c(F)cc3c(=O)[nH]2)c1 97164013 YBRXXWZYUHGKDY-UHFFFAOYSA-N 348.309 1.817 0 40 EDAB C[C@H](NC(=O)N(CCc1ccccc1)CCN(C)C)c1nncn1C 46962962 AXDJOPTXDIBBAZ-HNNXBMFYSA-N 344.463 1.692 0 40 EDAB CNC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O 47357948 JBVGGRAWPLFGAI-ZDUSSCGKSA-N 329.278 1.218 0 40 EDAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCC1CCCCC1 3396801 YBQPRIBSYIBLQP-UHFFFAOYSA-N 336.413 1.528 0 40 EDAB O=C(NCCCCn1ccnc1)N1CCC[C@H](CN2CCOCC2)C1 69931495 YVUAFMZYDPBTDH-QGZVFWFLSA-N 349.479 1.417 0 40 EDAB CC(C)(CNC(=O)c1ccc(Br)o1)N1CCOCC1 12915561 CJXONFPOXKXNBZ-UHFFFAOYSA-N 331.210 1.883 0 40 EDAB CCn1c(S[C@@H](C)c2nc(N)nc(N(C)C)n2)nnc1C1CC1 13003119 DMVMHYQECRQQSL-QMMMGPOBSA-N 334.453 1.862 0 40 EDAB Cc1cccnc1-n1nc(-c2ccccc2)nc1CN1C(=O)CNC1=O 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0 40 EDAB CCc1noc(CC)c1CC(=O)N1CCC[C@H](N2CCNC2=O)C1 87191728 JLQQEPMUMMLKMB-LBPRGKRZSA-N 334.420 1.358 0 40 EDAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H]2C[C@@H](C)OC2=O)cc1 7313687 FXVALHZKUIFILR-DGCLKSJQSA-N 326.370 1.406 0 40 EDAB C[C@H]1C[C@H](C)CN(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 7443421 LDBYSFKJSNFXRA-STQMWFEESA-N 336.436 1.250 0 40 EDAB CC(=O)NCCNS(=O)(=O)c1ccc(Br)c(C)c1 16085158 GMEUDSHUGXADBP-UHFFFAOYSA-N 335.223 1.172 0 40 EDAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cn1ccc(=O)[nH]c1=O 68933621 ZCHOHWWEAJXNBH-CYBMUJFWSA-N 329.400 1.409 0 40 EDAB Cc1ccc(-c2nnn(CC(=O)N3CCC(CN(C)C)CC3)n2)cc1 71853873 VPCGIAKFJNMRFZ-UHFFFAOYSA-N 342.447 1.449 0 40 EDAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8240446 DFZIJPKARYOYSF-HNNXBMFYSA-N 334.441 1.876 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC[C@H](N2CCNC2=O)C1 71841719 XNCTYVOPWDIPBQ-HEHGZKQESA-N 345.399 1.231 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](C2OCCO2)C1 69321367 QASVXTOUFCMWET-GFCCVEGCSA-N 329.393 1.908 0 40 EDAB O=S(=O)(c1cc(F)ccc1F)N1CCC[C@@H](C2OCCO2)C1 69350314 DKQMLHHMXJNDRT-SNVBAGLBSA-N 333.356 1.738 0 40 EDAB Cc1cc(N2CCN(C(=O)COc3ccccc3F)CC2)nc(C)n1 69338958 RXKQUULJRJZGLS-UHFFFAOYSA-N 344.390 1.960 0 40 EDAB CN(CCCOc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 71833187 UHLWBQOGKBVLAR-GFCCVEGCSA-N 327.402 1.303 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3nc4nc(C)cc(C)n4n3)C2)c1 69442347 GPQMGROIFPGYHU-CQSZACIVSA-N 339.403 1.723 0 40 EDAB Cn1ncc(NCc2cccc(CN3CCOCC3)c2)c(Cl)c1=O 69419570 DISZWVYFTYSKHR-UHFFFAOYSA-N 348.834 1.878 0 40 EDAB CS(=O)(=O)Cc1cccc(NC(=O)NCCNc2ncccn2)c1 69491158 XFJHEXIMMSABQZ-UHFFFAOYSA-N 349.416 1.255 0 40 EDAB Cc1nc(CN2CCC[C@H](NCc3cccc4c3OCCO4)C2)no1 69484869 WSCOIXUKAAFVSP-HNNXBMFYSA-N 344.415 1.903 0 40 EDAB CC(=O)N[C@H](CC(=O)N1CCc2nnc(N)cc2C1)c1ccccc1 71859912 UGELOZKVGILLFF-MRXNPFEDSA-N 339.399 1.211 0 40 EDAB COC(=O)c1cccc(C(=O)N2CCN(Cc3noc(C)n3)CC2)c1 71882372 SHRQPFJJRUCYNS-UHFFFAOYSA-N 344.371 1.123 0 40 EDAB NC(=O)COc1cccc(C(=O)N2CCC[C@@H]2Cn2cccn2)c1 71866424 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C[C@]1([C@@H]2CCCN(CC[S@@](=O)c3ccccc3)C2)NC(=O)NC1=O 72300767 IJDCGQSNTNXEKF-CNQLWYDMSA-N 349.456 1.104 0 40 EDAB CCO[C@H]1C[C@@H](NCCN2CCCS2(=O)=O)C12CCCCC2 95988035 MFHUJTBANCTQJI-CABCVRRESA-N 330.494 1.739 0 40 EDAB C[C@@H](NS(=O)(=O)c1cnn(C)c1)[C@@H](O)c1ccc(Cl)cc1 95972929 QSJQKOZEWSWEPL-NOZJJQNGSA-N 329.809 1.474 0 40 EDAB CCOC(=O)[C@H]1CSCCN1CC(=O)Nc1ccc(F)cc1 95948768 GUIWFEDMZXUZHB-CYBMUJFWSA-N 326.393 1.745 0 40 EDAB O=C(Nc1ncccn1)C1CCN(C[C@H](O)c2ccccc2F)CC1 95951634 NAPBZZKPZKFDOC-INIZCTEOSA-N 344.390 2.000 0 40 EDAB COCCCOCC(=O)NCc1ccc(OC)c(C(=O)OC)c1 95986574 DSUKEYHLDHDZJI-UHFFFAOYSA-N 325.361 1.151 0 40 EDAB NC(=O)c1ccc(N2CCN(Cc3ccc(F)cc3Cl)CC2)nn1 75046404 PITPLJXQCMKTCM-UHFFFAOYSA-N 349.797 1.690 0 40 EDAB O=C(CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O)NC[C@H]1CCCO1 75076727 QTWDYSKMKLQHHN-UKRRQHHQSA-N 348.374 1.039 0 40 EDAB Cc1cc(N2CCC(NC(=O)NCc3cc(C)on3)CC2)nc(C)n1 89599377 MNZMSLKZKWDFLV-UHFFFAOYSA-N 344.419 1.858 0 40 EDAB C[C@@H](CC(=O)NC[C@H](c1cnn(C)c1)N(C)C)NC(=O)C1CCCC1 75140643 QCSVQLOHCUBNCU-XJKSGUPXSA-N 349.479 1.224 0 40 EDAB CN1CCN(C(=O)NCCc2nnc3n2CCC3)Cc2ccccc21 86429898 DYNJTTZJZMFRBT-UHFFFAOYSA-N 340.431 1.428 0 40 EDAB O=C(c1c[nH]c(=O)c(Br)c1)N1CCO[C@@H]2CCCC[C@@H]21 89762047 JYLIVDLAUJDNFM-NWDGAFQWSA-N 341.205 1.921 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 89943333 IAORLJWCOREZMN-HNNXBMFYSA-N 349.431 1.702 0 40 EDAB C[C@H](NC(=O)CNCC1CCN(CCO)CC1)c1cccs1 75602787 MSKOPGIYFAEQBM-ZDUSSCGKSA-N 325.478 1.219 0 40 EDAB C[C@@H](CNC(=O)Nc1cccc(F)c1F)CN1CCN(C)CC1 76069421 OGFCFAKVXYJNHT-LBPRGKRZSA-N 326.391 1.970 0 40 EDAB NC(=O)[C@@H](NC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1F 76017126 KPBIJGCDNCYKNO-HNNXBMFYSA-N 339.330 1.363 0 40 EDAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(=O)NC1CCCC1 70640178 ZWXZNOCFGLTLJH-ZDUSSCGKSA-N 344.333 1.914 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2ccoc2)n2ncnc2N[C@]1(O)C(F)(F)F 36612194 XSVAACVPRQYBTK-YGOYTEALSA-N 346.265 1.316 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1F 39996283 MFWTXLWGPQPKNI-LKFCYVNXSA-N 340.326 1.846 0 40 EDAB COCCS(=O)(=O)N1CCC(NC(=O)CCC2CCCC2)CC1 72265429 PZDZVSURLPIJJA-UHFFFAOYSA-N 346.493 1.514 0 40 EDAB CCN(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[C@H](C)N 79393112 YNSQYRRHUDGHGJ-HOCLYGCPSA-N 333.432 1.983 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCNC(=O)C(C)C)CC2=O)c(F)c1 31883914 DYACXXPJRCGJJK-ZDUSSCGKSA-N 349.406 1.375 0 40 EDAB O=c1[nH]c2ccc(S(=O)(=O)NCCc3cccc(F)c3)cc2[nH]1 32814243 HLQMXXJQFKWELL-UHFFFAOYSA-N 335.360 1.516 0 40 EDAB CCn1nc(C)cc1C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1 72321726 UTENFTHNWXFQEK-MWQQHZPXSA-N 329.400 1.219 0 40 EDAB biogenic,in-vitro CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ncccc2O)cc1 32845111 TYNURIDVNCXPEO-UHFFFAOYSA-N 335.385 1.726 0 40 EDAB CC(C)(Oc1cccc(Cl)c1)C(=O)NCCNS(C)(=O)=O 79034153 CGWCLVQQXSGAMA-UHFFFAOYSA-N 334.825 1.163 0 40 EDAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC1CCCC1 71335109 MTKJICPISDVFGQ-OAHLLOKOSA-N 344.459 1.966 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3nccc4ccccc34)CC2)no1 79001475 TVDILKMFMHUYCU-UHFFFAOYSA-N 337.383 1.884 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 225223766 AJZTYCRKNJXZTE-SNVBAGLBSA-N 334.388 1.892 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)NCCSc1nc(C)n[nH]1 222981634 KVRALPFLUJEHOI-UHFFFAOYSA-N 342.446 1.501 0 40 EDAB CS(=O)(=O)N1CC[C@H](CN[C@@H]2CCCOc3cc(F)ccc32)C1 195557745 FTGVOAARWLZABV-IUODEOHRSA-N 342.436 1.911 0 40 EDAB Cc1cc(CN2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)no1 96219678 OOLFYHVAVACXQG-DYVFJYSZSA-N 330.388 1.935 0 40 EDAB CN(C)C(=O)N1CC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 96078857 LBXJJBAUAMIQHU-UHFFFAOYSA-N 337.445 1.481 0 40 EDAB O=C(NC1CC1)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 96239688 FAUGHLIKQWQYCB-OAHLLOKOSA-N 337.374 1.886 0 40 EDAB CN(C)CCN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cccs1 96184315 BRMNAQXVWFWGNT-QWHCGFSZSA-N 329.491 1.147 0 40 EDAB COCCO[C@H]1CCN(c2cc(OC)ncn2)[C@H]1Cc1cccnc1 96200512 IIFFSMASLOMVBY-HOTGVXAUSA-N 344.415 1.733 0 40 EDAB COC[C@H]1C(=O)N(CC2CC2)CC12CCN(C(=O)N1CCCC1)CC2 96206414 VSYUTVSODBMGDQ-INIZCTEOSA-N 349.475 1.799 0 40 EDAB Cc1ccc([C@@H](C)N[C@@H]2CCCN(CCN3CCOCC3)C2=O)cc1 97237269 DBRRGUVVYRRGRO-IEBWSBKVSA-N 345.487 1.969 0 40 EDAB COC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn2C1 96188908 PUQGYZWOSONTIM-LBPRGKRZSA-N 329.356 1.530 0 40 EDAB CCS(=O)(=O)N1CCCn2cnc(COCc3ccco3)c2C1 96259992 BOYAFNICAYWGRV-UHFFFAOYSA-N 339.417 1.748 0 40 EDAB Cn1ccnc1CN1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96159408 HETJMTXOEUSMRY-SFHVURJKSA-N 325.416 1.440 0 40 EDAB O=C(c1cccnc1)N1CCn2nnc(COc3ccccn3)c2C1 96255985 WATKWLBVOBHRKL-UHFFFAOYSA-N 336.355 1.303 0 40 EDAB Cc1nnc(NC[C@H]2CO[C@]3(COCCN(Cc4ccco4)C3)C2)o1 96240589 AMBVFMFBNRANQC-WMLDXEAASA-N 348.403 1.691 0 40 EDAB O=C(C1CC=CC1)N1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96159429 QLDDPQFHYPRAFE-IBGZPJMESA-N 325.412 1.999 0 40 EDAB O=C(CNC(=O)c1c(F)cccc1Cl)N[C@H]1CCCC[C@H]1CO 97234548 JBBHBUNEJFPCDO-GWCFXTLKSA-N 342.798 1.876 0 40 EDAB Cc1cccc(CN2C[C@H]3OC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)n1 96216926 LHTIEXLTCVEBKO-OWCLPIDISA-N 339.399 1.266 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)N1CCCC1)CC2 96254864 IEMMRJICCNFYKI-UHFFFAOYSA-N 345.447 1.238 0 40 EDAB CC[C@@H]1CCCC[C@H]1CN1CCN(CC(=O)NCCOC)CC1 583650801 BJDQBFNEXNARJD-SJORKVTESA-N 325.497 1.583 0 40 EDAB COC(=O)[C@@H]1CCc2nnc(-c3cc(Br)c[nH]3)n2C1 601045909 ZZLUVFKNMBMOEK-SSDOTTSWSA-N 325.166 1.771 0 40 EDAB CNC(=O)[C@@H]1CN(C)CCN(Cc2cnc(-c3ccccc3)nc2)C1 257273500 NGVOEPFKRHCTHV-QGZVFWFLSA-N 339.443 1.253 0 40 EDAB Cn1c(=O)c2c(C(F)(F)F)cc(C3CCNCC3)nc2n(C)c1=O 257217162 CXUIUURFFARDAZ-UHFFFAOYSA-N 342.321 1.118 0 40 EDAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(Cc2ccncc2)C3)n1 253480166 VHXWEXMKDTWPLB-MRXNPFEDSA-N 326.400 1.992 0 40 EDAB O=C(CCCn1cc(COc2ccccc2)nn1)N1CCC(O)CC1 252496623 PNDGIHOSAJMHMG-UHFFFAOYSA-N 344.415 1.621 0 40 EDAB CC(=O)N(C)[C@H]1CC2(CCN(Cc3ccncc3)CC2)OC[C@]1(C)O 257304423 SLOULFRSDSKPLE-ROUUACIJSA-N 347.459 1.434 0 40 EDAB O=C([C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N1CCCSCC1 585122016 KKBSRFSEDVUPBL-OCCSQVGLSA-N 349.374 1.763 0 40 EDAB Cc1noc(C)c1-c1nc([C@@H]2CCCN(C(=O)CN)C2)ccc1CO 257206166 BCDPSHNYGULYJK-CYBMUJFWSA-N 344.415 1.510 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)COc2ccc(F)cc2)CCO1 257302964 SFEGGUSKHHPKKT-CQSZACIVSA-N 346.362 1.636 0 40 EDAB CCOC(=O)Cc1csc(NC(=O)c2cc3n(n2)CCCO3)n1 90626698 KNPXECAFBKSLSB-UHFFFAOYSA-N 336.373 1.480 0 40 EDAB Cc1c(C(=O)N2CCNC[C@](C)(F)C2)sc2ncn(C)c(=O)c12 1615046701 PKDYFDHCCOILBF-HNNXBMFYSA-N 338.408 1.077 0 40 EDAB N[C@@H]1C[C@H](C(=O)NCC2(n3cc(Br)cn3)CC2)[C@H]2C[C@H]21 1615545686 HMEFHWUZOVXQJD-WHOHXGKFSA-N 339.237 1.234 0 40 EDAB CC[C@H](C)c1ccc(NC(=O)CN2C(=O)NC3(CC(O)C3)C2=O)cc1 1616042242 OXILULVKDVWLSD-JCDGYTILSA-N 345.399 1.584 0 40 EDAB CCOCC(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575403873 PGOZKEUGQUHJCR-NSHDSACASA-N 326.393 1.723 0 40 EDAB O=c1cc(N2CCN(c3cc4c(nn3)CCC4)CC2)nc2ccccn12 575608433 NJBOXOWUUCWURG-UHFFFAOYSA-N 348.410 1.300 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)Cc2ccncc2)C1 585277865 QMOSBDSOCMUMSZ-LJQANCHMSA-N 326.396 1.975 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)Cc2c(C)n[nH]c2C)C1 585276096 JSSJMANXPNJANZ-IBGZPJMESA-N 343.427 1.920 0 40 EDAB CCc1n[nH]cc1C(=O)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585277651 OBZHVVOLWOXOLO-SFHVURJKSA-N 347.390 1.557 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(Cc3nnsc3Cl)CCO2)n1 69349726 WCQGBUNOOSDBOG-LLVKDONJSA-N 327.841 1.906 0 40 EDAB COc1c(C)cnc(CN2CCC(N(C)[C@H](C)C(N)=O)CC2)c1C 69377323 FCSHBUNTQPXKJR-CQSZACIVSA-N 334.464 1.477 0 40 EDAB C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(Br)cn2)C(=O)O1 69569538 RLXLSYCJCXUYQK-WCBMZHEXSA-N 342.193 1.418 0 40 EDAB CC(C)NC(=O)CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 69695143 FZPWVQMIAZFHGH-UHFFFAOYSA-N 347.503 1.872 0 40 EDAB C[C@@H]1CN(Cc2nc(CC(=O)NCc3ccccc3)no2)CCO1 44917856 UUNZHOBRPFKALI-CYBMUJFWSA-N 330.388 1.149 0 40 EDAB CS(=O)(=O)c1ccc(NC(=O)NCc2cn3ccccc3n2)cn1 48290362 BIBKDLGKJDDYSJ-UHFFFAOYSA-N 345.384 1.455 0 40 EDAB Cc1ncc(CN(C)CC(=O)N2CCN(c3ncccn3)CC2)s1 52101222 SZNWMAZHJZFDMQ-UHFFFAOYSA-N 346.460 1.022 0 40 EDAB CCN(CCNC(=O)NCCc1nnc2n1CCCCC2)C1CC1 89969209 WIHNEJYDYCXOLU-UHFFFAOYSA-N 334.468 1.331 0 40 EDAB NC(=O)[C@H](NC(=O)NCCc1cn2ccccc2n1)c1ccccc1 61632457 PGXMVZBSASFSNB-MRXNPFEDSA-N 337.383 1.403 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)ccc2F)C1 78602784 QRSFBHQRFOTLCU-CYBMUJFWSA-N 337.395 1.300 0 40 EDAB COc1cc(NC(=O)NC[C@H](O)CN2CCCCC2)cc(OC)c1 40525931 UDLVRCKFYQSNJZ-AWEZNQCLSA-N 337.420 1.672 0 40 EDAB Cc1nc(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)no1 95977510 ZNTFMGYGLFYVTG-LLVKDONJSA-N 328.731 1.703 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN([C@H](C(=O)O)c2ccccc2C)C1 571571408 RJCBORHWFOIADZ-OCCSQVGLSA-N 326.418 1.134 0 40 EDAB Cc1cccc(N2CN=c3s/c(=C\c4ccco4)c(=O)n3C2)c1 521194 PJJNFGHLXMROSR-DHDCSXOGSA-N 325.393 1.695 0 40 EDAB O=C(c1cocn1)N1CC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615157617 LLLGLFVIBLXEOA-KRWDZBQOSA-N 345.330 1.462 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)N1CC(C(C)=O)C1 1616037122 DCFRELCNXWYJMZ-UHFFFAOYSA-N 348.218 1.667 0 40 EDAB COc1cc(CN(C)Cc2nc(N)nc(N)n2)ccc1OC(F)F 15444337 ZDROXHFTLCUQJQ-UHFFFAOYSA-N 340.334 1.278 0 40 EDAB CC(C)C(=O)N1CC[C@H](c2nc(N(C)C)ncc2-c2cnn(C)c2)C1 19693749 UFHACUFKIKXWJD-ZDUSSCGKSA-N 342.447 1.915 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 18700368 TWWLFDQOWNPEPI-VIFPVBQESA-N 348.371 1.327 0 40 EDAB O=C([C@H]1CCCN(c2nc3cnccc3s2)C1)N1CCOCC1 1889114173 PCPXNMYJMPFQRC-LBPRGKRZSA-N 332.429 1.767 0 40 EDAB CCNC(=O)NC(=O)CN1CCC[C@H](c2nc3ccccc3o2)C1 24664088 WKXFEKJWXNGIDF-LBPRGKRZSA-N 330.388 1.853 0 40 EDAB COCCC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037905584 LAGOQENBLCCKNY-KRWDZBQOSA-N 325.380 1.985 0 40 EDAB O=C(NCc1nc(-c2cccnc2O)no1)c1ccc2[nH]cnc2c1 253537677 GYOWMKHONURAKZ-UHFFFAOYSA-N 336.311 1.644 0 40 EDAB c1cn(CCN2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)nn1 2086968284 FEGWZLUHEIFIQU-UHFFFAOYSA-N 339.447 1.256 0 40 EDAB CN1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)c3csnn3)C2)C1 1565542755 NOLBDSURWIDLNR-XJKSGUPXSA-N 336.461 1.359 0 40 EDAB O=C(NCC1CC1)[C@H]1C[C@H]2CN(C(=O)/C=C/c3cccs3)C[C@H]1O2 1565553653 HAGXJYXYAODZJC-QYWWXOJHSA-N 346.452 1.903 0 40 EDAB O=C(CC1(O)CCC1)N1CCc2ncnc(-c3cncnc3)c2C1 1565555568 CYDUBCKYYRARRJ-UHFFFAOYSA-N 325.372 1.123 0 40 EDAB CC(=O)c1sc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)nc1C 13790071 AVKASXZNDYBRQE-SNVBAGLBSA-N 345.446 1.264 0 40 EDAB O=C(N[C@H]1CCc2onc(C(=O)N3CCCC3)c2C1)c1cscn1 2055772645 IYTVXWHPMHXGSQ-JTQLQIEISA-N 346.412 1.654 0 40 EDAB COCC(=O)N1CCC2(CCC(=O)N2Cc2cccc(C)n2)CC1 2055819434 RPXOXQZGZHDMMH-UHFFFAOYSA-N 331.416 1.520 0 40 EDAB O=C(NCCn1ncccc1=O)c1ncc(-c2ccc(Cl)cc2)o1 206588471 BODBMMYINNLPBK-UHFFFAOYSA-N 344.758 1.982 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@@](C)(O)c1cc2ccccc2o1 217985227 MITHALSHVWEZAZ-QGZVFWFLSA-N 329.356 1.812 0 40 EDAB COC(=O)N1CCC(CNC(=O)c2ccc3nsnc3c2)CC1 43982340 YGXFLVZJQOKRQC-UHFFFAOYSA-N 334.401 1.900 0 40 EDAB O=c1[nH]c2c(-c3ccccn3)nsc2c(=O)n1C[C@H]1CCCO1 49410015 WODKOUCUHBZFRE-SECBINFHSA-N 330.369 1.387 0 40 EDAB COc1ccc(-c2cc(CC(=O)N3CCC(C(N)=O)CC3)no2)cc1 12867238 BQGXVWOMMPCRBT-UHFFFAOYSA-N 343.383 1.617 0 40 EDAB CCN(Cc1ccc(-n2cncn2)c(C)c1)[C@H]1CCS(=O)(=O)C1 96489455 YCMUQBNZYXJJSW-HNNXBMFYSA-N 334.445 1.585 0 40 EDAB Cc1ccc(N2C[C@@H](C(=O)NCCNc3cnccn3)CC2=O)cc1 31599281 WFCWLYAWVCFSNE-AWEZNQCLSA-N 339.399 1.366 0 40 EDAB O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCO[C@H]2CCCC[C@H]21 40553802 HJOSVVGYDIMWKK-CVEARBPZSA-N 345.374 1.706 0 40 EDAB CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1cnn(C)c1 40527990 VIJOYUSRMRIGAG-GFCCVEGCSA-N 337.401 1.271 0 40 EDAB CCOc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)n[nH]2)cc1 51315710 JHVOZALFVUDDJK-UHFFFAOYSA-N 342.399 1.813 0 40 EDAB CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2C)n[nH]1 21096475 GFOLOGIMFUXYRB-UHFFFAOYSA-N 327.337 1.835 0 40 EDAB O=C(CN1CSCC1=O)Nc1cc2c(cc1Cl)OCCO2 32582294 ATCXMSZVGXYRDM-UHFFFAOYSA-N 328.777 1.583 0 40 EDAB O=S(=O)(c1ccc(CN2CCCC[C@H]2CO)o1)N1CCCC1 52616408 IERQSIYYTLIVMO-ZDUSSCGKSA-N 328.434 1.411 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc(N2CCNC(=O)C2)cc1 32913185 XQHRRUAJVSBIBD-UHFFFAOYSA-N 341.415 1.154 0 40 EDAB O=C(CCN1CCN(C(=O)Cc2ccccc2)CC1)N1CCCCC1 52780378 QRULETJPNYMWNK-UHFFFAOYSA-N 343.471 1.776 0 40 EDAB COC(=O)c1nnn(CC(=O)Nc2c(C)cccc2C)c1C(=O)OC 428819 YOYDZUAFUPXKRO-UHFFFAOYSA-N 346.343 1.107 0 40 EDAB Cc1c(NC(=O)c2ccc(=O)oc2)c(=O)n(-c2ccccc2)n1C 548853 PMDKZECEQUTWCO-UHFFFAOYSA-N 325.324 1.690 0 40 EDAB COc1ccc(/C=C/C(=O)N(CC(N)=O)C2CCCC2)cc1OC 42092691 SLXYQOVZVYPRMJ-CSKARUKUSA-N 332.400 1.974 0 40 EDAB Cc1nc(NCc2ccnc(N3CCOCC3)c2)c2cnn(C)c2n1 54057611 ODCKLTKHYPFGFW-UHFFFAOYSA-N 339.403 1.515 0 40 EDAB CN(CCOc1ccccc1)[C@@H](C(=O)NC(N)=O)c1ccccc1 23706370 AYEBNPRNIHNFFK-MRXNPFEDSA-N 327.384 1.933 0 40 EDAB CCOc1ccc(OCC)c(NC(=O)CSc2nnnn2C)c1 795855 NLBZOFYYFKTYHD-UHFFFAOYSA-N 337.405 1.738 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)n[nH]1 78901602 ZUHWFPZSXQMPQF-CYBMUJFWSA-N 327.388 1.242 0 40 EDAB CC(C)[C@H](C(=O)NCCNc1ncccn1)N1C[C@@H](C)O[C@H](C)C1 106516024 AXXGCOOTEDLBCC-RBSFLKMASA-N 335.452 1.139 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC2 79101467 KXSNMVJPPLHUSI-HNNXBMFYSA-N 329.400 1.193 0 40 EDAB Cc1ccc(N2CCC[C@@H](N(C)[C@@H](C(N)=O)c3ccccc3)C2)nn1 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331.416 1.734 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3C4C5[C@]6(C=CC=C[C@]516)[C@H]2[C@@H]43 104286531 BPXCBGYWWVEAFS-KIEAQODYSA-N 329.359 1.515 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)N1CCCC1 58180344 UMTUMPSDQCCYKU-VIFPVBQESA-N 334.800 1.768 0 40 EDAB C[C@H](NC(=O)CN1C(=O)NC(C2CC2)(C2CC2)C1=O)c1ccccc1 58295193 ZWOKLIFTEADSID-LBPRGKRZSA-N 341.411 1.974 0 40 EDAB CCO[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 44977304 VUWWSVIOHFGQQZ-NSHDSACASA-N 326.343 1.674 0 40 EDAB COc1ccc([C@@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OC)c1 44945923 VVBBWVKEWNDMRP-GHMZBOCLSA-N 342.417 1.251 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)NCc2cccc(F)c2)CC1 44914903 VGHOKTFESRGXMO-UHFFFAOYSA-N 329.397 1.049 0 40 EDAB CCN(CCNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(C)c1 44945702 BCTSCLRNRLCFBA-CQSZACIVSA-N 339.461 1.308 0 40 EDAB Cc1cccnc1NC(=O)CCNS(=O)(=O)c1c(C)noc1C 12517152 LJPFSYSOEGFYQB-UHFFFAOYSA-N 338.389 1.302 0 40 EDAB CCN(C[C@@H](C)C(=O)OC)C(=O)[C@H]1CC(c2cccc(F)c2)=NO1 58393219 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40 EDAB COc1ccc(CCNC(=O)Cn2nnc3ccccc3c2=O)cc1 3378206 SMVOHIKZRVMJRP-UHFFFAOYSA-N 338.367 1.159 0 40 EDAB CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1ccccc1 97205520 XPTUEBSCFWZDQW-IAGOWNOFSA-N 343.427 1.524 0 40 EDAB Cc1csc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 3562000 UIAAEKOKZQYSPS-UHFFFAOYSA-N 325.415 1.954 0 40 EDAB Cc1cc(=O)n2c(n1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 96013492 KFGDDMLYUMZCIL-UHFFFAOYSA-N 325.777 1.414 0 40 EDAB Cn1cnn(CC(=O)Nc2cc(-c3cc4ccccc4o3)n[nH]2)c1=O 96004745 IUWVTZRWSDNLHE-UHFFFAOYSA-N 338.327 1.357 0 40 EDAB CC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C 5226070 WXUZNAPHDHUDJQ-ZDUSSCGKSA-N 347.820 1.775 0 40 EDAB O=C(OCc1ccccc1F)c1nn(CCO)c(=O)c2ccccc12 5211879 QSPCSHRUDCWQKX-UHFFFAOYSA-N 342.326 1.885 0 40 EDAB COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C(C)C)N1CCOCC1 65568561 PPSWJWKTVDZRKW-CABCVRRESA-N 343.468 1.230 0 40 EDAB NC(=O)C1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 65553362 SEEFVZFXOXUBON-CQSZACIVSA-N 334.420 1.323 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNCCN1CCc3ccccc3C1)CN2 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COc1cccc(-c2nnn([C@H]3CCN(CC(F)(F)F)C3=O)n2)c1 71910954 SCGUUKNJNDSLST-NSHDSACASA-N 341.293 1.684 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)NCc1cccc2c1OCCO2 69485553 JHRKYDXSZMTWIK-UHFFFAOYSA-N 336.388 1.989 0 40 EDAB Cc1nnc(SCc2ccc(OC(F)F)cc2)n1CC(N)=O 69655238 UBYYYVAHNFVLPT-UHFFFAOYSA-N 328.344 1.966 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)C1=Cc2cccc(OC)c2OC1 69701320 ASIPHBCSLYTSOB-UHFFFAOYSA-N 332.400 1.844 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)N(C)Cc1ccco1 69709073 FIFJLNFOMDUYKP-IAGOWNOFSA-N 333.432 1.713 0 40 EDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1nc(C(C)(C)C)ns1 69740628 IWOKVISVYBRNDV-UHFFFAOYSA-N 346.416 1.661 0 40 EDAB CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)CC)CCN1C(=O)[C@@H](C)CC 84721256 CVDMQUKKXCLWLR-RDBSUJKOSA-N 326.437 1.681 0 40 EDAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2Cn2cccn2)CN1C1CCCC1 69951941 KAXXHNYAGXCGFE-GDBMZVCRSA-N 330.432 1.665 0 40 EDAB CN1CCO[C@@H]2CN(c3nc4ccccc4nc3N3CCCC3)C[C@@H]21 95449478 NPMKTFYAOZWMTN-DLBZAZTESA-N 339.443 1.749 0 40 EDAB COc1cccc(-n2c(=O)[nH]c(O)c(Cc3ccc(F)cc3)c2=O)c1 8969548 BLKLQHCUAYKUEO-UHFFFAOYSA-N 342.326 1.970 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1ccc2c(c1)OCO2 71279766 XZFSXNVEGTZMGG-UHFFFAOYSA-N 341.367 1.880 0 40 EDAB Cc1ccc(OCC(=O)N2CCN(c3nccn3C)CC2)c(C)c1 84133533 BKIBALNVUJDSRH-UHFFFAOYSA-N 328.416 1.765 0 40 EDAB CC[C@H](C(=O)NCc1nccn1CC(F)(F)F)N1CCCC1=O 95404217 UKESHDGWXDDNLO-SNVBAGLBSA-N 332.326 1.463 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CN1[C@H](C)COC[C@H]1C)CC2 72293998 BHTBMBCYTVZIKE-ZIAGYGMSSA-N 348.443 1.698 0 40 EDAB C[C@H](CNC(=O)N1CCC2(CC1)CNC(=O)C2)Oc1ccccc1 74221664 GVENQHVAPGOYEJ-CQSZACIVSA-N 331.416 1.766 0 40 EDAB COCCN1CC[C@@]2(CN(C(C)=O)C[C@H]2c2cn(C(C)C)cn2)C1=O 306130597 JKRXPJDGGGXYGP-YJBOKZPZSA-N 348.447 1.275 0 40 EDAB O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1ccc(=O)[nH]n1 95957483 KQSMHNUCUBHTPS-UHFFFAOYSA-N 346.350 1.656 0 40 EDAB O=C(NCCc1ccc2c(c1)CCO2)NCCc1nnc2n1CCC2 86398726 ZKSUNYJEPXHPEY-UHFFFAOYSA-N 341.415 1.244 0 40 EDAB CC(C)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)N1CCCC1 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41329348 WKMZUUASBZIKNC-CQSZACIVSA-N 328.420 1.624 0 40 EDAB COCCn1nc(C(=O)N(C)Cc2ccccc2Cl)ccc1=O 21912685 QDORDYVGABZNET-UHFFFAOYSA-N 335.791 1.815 0 40 EDAB O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1nncs1 22705059 GDGSQTCPQIAAEP-UHFFFAOYSA-N 348.356 1.123 0 40 EDAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ncccn2)C1 54016742 AAGBXHHHXBPWJO-STQMWFEESA-N 349.435 1.475 0 40 EDAB Cn1ncc2c(N3CCCN(C(=O)c4ccsc4)CC3)ncnc21 54124883 MFIVKVOSYLAHRG-UHFFFAOYSA-N 342.428 1.777 0 40 EDAB NC(=O)Cn1c(SCC(=O)Nc2ccccc2)nnc1C1CC1 23350503 DYYGLAUHDJWQCG-UHFFFAOYSA-N 331.401 1.372 0 40 EDAB C[C@@H](NS(=O)(=O)N1CCCCC1)c1ccc(S(C)(=O)=O)cc1 42676497 SZFPWQTXWDAJRQ-GFCCVEGCSA-N 346.474 1.471 0 40 EDAB O=C(NCc1ccccn1)NCc1cccnc1N1CCOCC1 47595945 XPLPZLGHFOUZHK-UHFFFAOYSA-N 327.388 1.313 0 40 EDAB Cc1ccc(F)cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 105548117 AORYSVLQBQXDDT-DPDCMNJDSA-N 328.343 1.880 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3c(C)oc(C)c3C)CC2)n1 47694129 FCINZASYAKNHKL-UHFFFAOYSA-N 330.388 1.966 0 40 EDAB COCCN1C[C@@H](C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1=O 24773134 KNHUYFQFSPUGNJ-ZDUSSCGKSA-N 345.403 1.446 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccccc2F)CC1 12526962 CXBJLSBMAGZUIA-LBPRGKRZSA-N 345.426 1.542 0 40 EDAB N[C@H](CC(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1 1717550 OMLSHEQOQUQDSW-GOSISDBHSA-N 339.439 1.422 0 40 EDAB Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(F)cc3F)cnc21 24975207 ZZVFIKWSCQYSFJ-UHFFFAOYSA-N 332.266 1.152 0 40 EDAB Cc1c([C@H](C)NC(=O)Cn2cnc3sccc3c2=O)cnn1C 25000473 HQGNAUKDJUZOCF-VIFPVBQESA-N 331.401 1.377 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1nnnn1-c1ccccc1 107356063 JVDOHKXQIBTCCD-UKRRQHHQSA-N 343.435 1.507 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCCC[C@@H]2C)c1=O 4999884 SEZXQYVYKUYSOZ-ZDUSSCGKSA-N 329.400 1.584 0 40 EDAB NC(=O)C1CCN(C(=O)CCOc2ccc(F)cc2Cl)CC1 44268104 BXZGLUUYAWKNFA-UHFFFAOYSA-N 328.771 1.972 0 40 EDAB Cc1ccncc1C(=O)N1CCC2(CC1)CC(NS(C)(=O)=O)C2 108534184 ALTMFFGKJOMBND-UHFFFAOYSA-N 337.445 1.324 0 40 EDAB CCN1CCN(C(=O)CCN2C(=O)C(C)(C)c3ccccc32)CC1 57355668 KVHQGLUSKDVXGG-UHFFFAOYSA-N 329.444 1.865 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2ncc([C@@H](N)CC(=O)O)cn2)cc1 8701471 JXPHAJKLAJTNOB-LBPRGKRZSA-N 336.373 1.060 0 40 EDAB O=C1C(=O)N(CN2CCc3ccccc3C2)C(=O)N1Cc1ccccc1 22834523 KHKRRYLLKVGQRI-UHFFFAOYSA-N 349.390 1.993 0 40 EDAB COC(=O)[C@H]1c2ccccc2CCN1C(=O)c1ccn(C)c(=O)c1 95404772 SXIRMTMTDJEYGB-MRXNPFEDSA-N 326.352 1.298 0 40 EDAB CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)[C@H]1CC(O)=NC1=O 58209175 TVNLILCRSFKMMS-AWEZNQCLSA-N 326.356 1.964 0 40 EDAB Cc1cc(C)n2nc(CC(=O)Nc3nc4c(s3)CCC4)nc2n1 44919501 GETRJIIVCBHMOP-UHFFFAOYSA-N 328.401 1.868 0 40 EDAB Cc1c(CC(=O)NCCC(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2116933 MOZIUVCLVYYYQP-UHFFFAOYSA-N 339.731 1.594 0 40 EDAB biogenic CCN(CC)C(=O)CCCC(=O)Nc1ccc(N2CCOCC2)cn1 58341733 MAVFKDPDTHNIEU-UHFFFAOYSA-N 348.447 1.895 0 40 EDAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 58356335 UDUMKSAFMOJIPK-HZSPNIEDSA-N 332.466 1.484 0 40 EDAB Cn1nnnc1SCC(=O)N[C@H](c1ccccc1)c1nccs1 58424202 JYWKTQRIMMBDIL-GFCCVEGCSA-N 346.441 1.665 0 40 EDAB C[C@H](NC(=O)NCc1ccccc1CN1CCCC1)c1nncn1C 45191241 HTSRWERMWPPQIF-AWEZNQCLSA-N 342.447 1.971 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@H]2CSc3nnc(C)c(=O)n32)cc1 2213337 ZIFBRVPEBZOERC-LLVKDONJSA-N 337.426 1.376 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)/C=C/c2ccc(F)cc2)CC1 36392250 MQOPQBWEHPODRU-QPJJXVBHSA-N 326.393 1.379 0 40 EDAB CC(C)Cc1n[nH]c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n1 95478906 PTRFNSIMEVEGNK-LBPRGKRZSA-N 327.388 1.995 0 40 EDAB Cn1ncc2cnn(C[C@@H](O)COCc3ccccc3Cl)c2c1=O 95438885 MRTSARPWTWSRKC-CYBMUJFWSA-N 348.790 1.361 0 40 EDAB CCS(=O)(=O)N1c2ccc(C(=O)NCCCOC)cc2C[C@H]1C 20448890 PNPVBMUSSSMOAS-GFCCVEGCSA-N 340.445 1.554 0 40 EDAB COCCOc1ccc(CNC(=O)N[C@@H]2CCCCNC2=O)cc1 45665426 ZHFWTTMLEMUCSY-OAHLLOKOSA-N 335.404 1.180 0 40 EDAB CC(C)c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)s1 29029055 MLCFXJQAJRAEDO-UHFFFAOYSA-N 344.418 1.757 0 40 EDAB CC[C@H](CO)NS(=O)(=O)c1cc(Br)ccc1OC 11566148 NOTOSXPCXLOUKT-SECBINFHSA-N 338.223 1.507 0 40 EDAB Cc1ccc(S(=O)(=O)NCCN2CCC[C@H](C)C2)cc1C(N)=O 46035214 PQKCNDZXGKNWBD-LBPRGKRZSA-N 339.461 1.104 0 40 EDAB Cc1cccc(Cn2cnc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)n2)c1 102015475 VUUDZOQXRNXWAO-ZQDZILKHSA-N 338.367 1.302 0 40 EDAB CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(C)CC1)cn2C 22237308 MJOMGVXDZKJZJZ-UHFFFAOYSA-N 329.400 1.325 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1 20768386 YZHIQWPEBCZZRU-UHFFFAOYSA-N 338.454 1.857 0 40 EDAB Cc1ccccc1-c1nnn(Cc2ccc(S(=O)(=O)N(C)C)o2)n1 47369251 POOMSLISMVCVGS-UHFFFAOYSA-N 347.400 1.540 0 40 EDAB C[C@H](CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)N1CCCC1 48275548 PTMBFSZAWQFELS-OAHLLOKOSA-N 342.443 1.766 0 40 EDAB O=C(NCc1cc[nH]n1)NC[C@@H](c1ccccc1)N1CCOCC1 48232280 LVZSUGVUUDGLCF-INIZCTEOSA-N 329.404 1.282 0 40 EDAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1ccncc1 48241206 VRYVAGNGWADWGU-UHFFFAOYSA-N 348.200 1.972 0 40 EDAB O=C(NCc1ccco1)c1ccccc1NCC(=O)N1CCNC1=O 12798067 QYBSUHJVLALTAZ-UHFFFAOYSA-N 342.355 1.173 0 40 EDAB CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccncc1 3501778 BEFYRXCSFBOMBD-CYBMUJFWSA-N 347.444 1.747 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)OC 12919464 UKPAUQIRBWKHHG-MFKMUULPSA-N 327.402 1.408 0 40 EDAB C[C@H]1CCCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 13038908 PCQLWALKNODABJ-AWEZNQCLSA-N 338.477 1.397 0 40 EDAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(C2CC2)C(=O)[C@]31C 4064503 QWOCRSJPHISUNA-IBGZPJMESA-N 339.395 1.781 0 40 EDAB biogenic O=C(O)[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)c1ccc(Br)cc1 4110346 UWSISCWAFROVHI-BKDNQFJXSA-N 346.202 1.543 0 40 EDAB CN(C)C(=O)NCCNC(=O)Nc1cc(Br)ccc1F 96004856 PALXNGSDOBULJN-UHFFFAOYSA-N 347.188 1.981 0 40 EDAB O=C(NCc1nnc2n1CCC2)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 65393138 PBHZHRQWCJAOAR-OKILXGFUSA-N 349.435 1.094 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNC[C@H](O)c1cccc(F)c1 65474696 ZAQDXYFOFVRZKH-KRWDZBQOSA-N 348.422 1.527 0 40 EDAB O=C(Nc1ccnc2ccnn12)c1ccc(CN2C(=O)CCC2=O)cc1 65515096 FQWOMQVLDUPCJB-UHFFFAOYSA-N 349.350 1.631 0 40 EDAB NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2cccc(F)c2)c1 65565347 XUNHNBJLJLVSAC-UHFFFAOYSA-N 347.321 1.822 0 40 EDAB NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1 5362633 LLJLOVLBVXJLHP-UHFFFAOYSA-N 349.435 1.970 0 40 EDAB OCCN1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 65612659 DZLYIZWPWYBHPN-UHFFFAOYSA-N 325.416 1.142 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)NCCc2ccccc2)C1=O 9483777 UEQUOFBFKKMUJM-CYBMUJFWSA-N 335.429 1.019 0 40 EDAB COC(=O)CCCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 71825456 WDYFHWXRBFKADG-OAHLLOKOSA-N 332.400 1.290 0 40 EDAB Cn1cc(N2CCC[C@H](NC(=O)c3c(O)cc(F)cc3F)C2)cn1 98014556 LTUXRESXPQYUJF-NSHDSACASA-N 336.342 1.803 0 40 EDAB COCCOc1ccc(CN[C@@H]2CCc3ncnn3C2)cc1OC 69491560 DRQPBOMDMDXCIA-CQSZACIVSA-N 332.404 1.417 0 40 EDAB Cn1ccnc1CN1CCN(Cc2nc(-c3ccsc3)no2)CC1 69414575 XOPHXMSHALVIDI-UHFFFAOYSA-N 344.444 1.849 0 40 EDAB CN(Cc1ccc(/C=C/C(=O)NC2CCCC2)o1)S(C)(=O)=O 20449803 UZZJDEOLNXQHQX-MDZDMXLPSA-N 326.418 1.743 0 40 EDAB CCCNC(=O)CN1CCC(NC(=O)c2cc(CC(C)C)n[nH]2)CC1 71999329 ZJDFNMHWNSHYRL-UHFFFAOYSA-N 349.479 1.329 0 40 EDAB CC(C)c1cccc(OCC(=O)NCCCN2CCC[C@@H]2C(N)=O)c1 69581435 PSUOGMXBDVGUFQ-QGZVFWFLSA-N 347.459 1.645 0 40 EDAB CCOc1ccc(CN(C)C(=O)CN2CCc3c(ncn3C)C2)cc1 69661105 YMTNHTUKKMLGPR-UHFFFAOYSA-N 342.443 1.836 0 40 EDAB COc1ncccc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69652632 JBZZGHYQKZTJQM-UHFFFAOYSA-N 329.404 1.172 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N1CCC[C@@H]3CCCC[C@@H]31)CC2 69709195 WFFWPWJWRJMRIW-XHSDSOJGSA-N 331.464 1.672 0 40 EDAB CC1CCC(NC(=O)CN2CCN(Cc3nccn3C)CC2)CC1 69774362 IQAUCLMGUMCSTN-UHFFFAOYSA-N 333.480 1.233 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NC(=O)Cc1ccc(OC(F)(F)F)cc1 69817296 IOUPEFSNJYTSQQ-UHFFFAOYSA-N 342.277 1.897 0 40 EDAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCO[C@H](CN(C)C)C1 69807886 ITOLNZMLSSIULV-WMLDXEAASA-N 337.439 1.135 0 40 EDAB Cc1ccc(NCCNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)nn1 69812914 QSLWGTDYTGBVKE-UHFFFAOYSA-N 349.394 1.982 0 40 EDAB O=C(CSCc1nnnn1C1CC1)Nc1cccc2nsnc12 69869571 GDTLHSQQKXIRGR-UHFFFAOYSA-N 347.429 1.885 0 40 EDAB C[C@@H](NC(=O)NCCOc1ccc(F)c(F)c1)c1nncn1C 69813571 RQMARERUNSRJAG-SECBINFHSA-N 325.319 1.533 0 40 EDAB CC(C)(C)OC(=O)N1CCCC[C@H]1COC(=O)[C@@H]1CCC(=O)NC1 69946360 WAUIQSWMQQHREE-OLZOCXBDSA-N 340.420 1.845 0 40 EDAB CCc1ccccc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 69922613 QVUBURJIHMZBCF-OAHLLOKOSA-N 346.475 1.187 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)n1 69929837 XILKELDFWUIZHZ-GJZGRUSLSA-N 333.436 1.282 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(OC)cc1)C2 69922933 YEZYWPJRGZMHHI-HUUCEWRRSA-N 326.400 1.995 0 40 EDAB COc1cccc(S(=O)(=O)CCN[C@@H](C)[C@@H](C)n2cccn2)c1 69952288 LZVKHYDELRRBQA-UONOGXRCSA-N 337.445 1.905 0 40 EDAB Cn1c(=O)c2c(ncn2CCNc2cccc(Cl)c2)n(C)c1=O 8778647 AYXRYWDIULXFMG-UHFFFAOYSA-N 333.779 1.199 0 40 EDAB CNC(=O)[C@@H](Cc1ccccc1)NC[C@H]1COc2ccccc2O1 97085745 QCXRFKXYOVHBPS-JKSUJKDBSA-N 326.396 1.773 0 40 EDAB Cc1nnc(SC[C@H]2CN(c3ccccc3)C(=O)O2)n1CC(N)=O 95960318 XVKVKAWHBVXFTJ-GFCCVEGCSA-N 347.400 1.189 0 40 EDAB Cc1nnc(CNC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@@H]2C)n1C 72281832 LVUYLXMCTPLQHT-JOYOIKCWSA-N 345.378 1.787 0 40 EDAB COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CSCc1cccc(C)c1 72292917 DMRAAHJFEAOHBR-HNNXBMFYSA-N 347.440 1.852 0 40 EDAB Cn1ccnc1-c1cc(NC(=O)NC[C@H](O)c2ccccc2)n(C)n1 97113559 AQSVBBMBFZZVDP-AWEZNQCLSA-N 340.387 1.676 0 40 EDAB O[C@H](COC1CCOCC1)CN1CCO[C@@H](c2ccc(F)cc2)C1 95964857 DDEKMNIUQCPFSH-FUHWJXTLSA-N 339.407 1.756 0 40 EDAB CCc1noc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)n1 95984626 NJZFZCLHRKCZSA-GHMZBOCLSA-N 338.433 1.952 0 40 EDAB CCn1ccnc1CN1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 95351796 HSIKTXUHYNNDLX-QGZVFWFLSA-N 347.507 1.668 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCCNc2ccccn2)[C@@H]1c1cccs1 95399510 CUSVLZTXHUULDG-BLLLJJGKSA-N 344.440 1.891 0 40 EDAB CN(CC(=O)N(C)[C@H]1CCCc2ccccc21)CC(C)(CO)CO 84638229 BGBANMAWPKWVRU-KRWDZBQOSA-N 334.460 1.445 0 40 EDAB CN(CCn1cccn1)C(=O)Nc1cccc(Cn2cncn2)c1 95958287 FVWXMIRPMDKURK-UHFFFAOYSA-N 325.376 1.687 0 40 EDAB C[C@H](NC(=O)CN1CCN(C)C[C@H]1C)c1ccc2c(c1)OCCO2 89938949 MUYZAPWSYVEQMC-KGLIPLIRSA-N 333.432 1.271 0 40 EDAB CC(C)(C)Cc1noc2ncc(C(=O)N3CCN(CCO)CC3)cc12 75572797 PLARNEIIWGYTPH-UHFFFAOYSA-N 346.431 1.562 0 40 EDAB CNC(=O)[C@H]1CCCN(C(=O)c2cc(C)ccc2N2CCCC2=O)C1 76092518 MWWBOXRQHDASLV-AWEZNQCLSA-N 343.427 1.720 0 40 EDAB O=C(CN1CCn2c(nnc2-c2ccccc2)C1)NC[C@@H]1CCCO1 76089942 OCFSVPDDAGOKQC-HNNXBMFYSA-N 341.415 1.056 0 40 EDAB C[C@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1N1CCOCC1 76056915 IEFKDOOOAFXCNZ-MAUKXSAKSA-N 342.443 1.606 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCC[C@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 76058754 IDSHONSBUNZHOD-YOIRWDDOSA-N 347.419 1.660 0 40 EDAB COCC(=O)NCC[C@H]1CCOC12CN(C(=O)c1cccc(C)c1)C2 306136314 PPXDGWZTFUKUOS-INIZCTEOSA-N 346.427 1.379 0 40 EDAB NC(=O)C1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CC1 32843361 MRLKBTHSTUQGKA-UHFFFAOYSA-N 346.818 1.922 0 40 EDAB C[C@@H]1CCn2ncc(C(=O)NCCOc3ccc(C(=O)O)cc3)c2C1 522061172 WUGOZGQHFDCUBZ-GFCCVEGCSA-N 343.383 1.972 0 40 EDAB C[C@@H]1CN(C(=O)c2ncc3c(F)cccn23)C[C@@H]1N1CCOCC1 528694740 GTANTMQBFBTDAZ-DOMZBBRYSA-N 332.379 1.266 0 40 EDAB O=C(NCCCn1ncccc1=O)c1cc(-c2ccc(F)cc2)n[nH]1 38517316 YSVPMYPCXVNAMZ-UHFFFAOYSA-N 341.346 1.593 0 40 EDAB Cc1cc(Nc2ccccn2)nc([C@@H]2CCN(S(C)(=O)=O)C2)n1 72382473 LVVPERAQTBEILL-GFCCVEGCSA-N 333.417 1.673 0 40 EDAB Cc1sc2ncn3c(=O)n(CC(=O)NC(C)(C)C)nc3c2c1C 72335225 XFHMMPQPILKYJH-UHFFFAOYSA-N 333.417 1.637 0 40 EDAB COc1ccccc1CC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 78987011 NZUYBILCVHYYLJ-LLVKDONJSA-N 330.306 1.517 0 40 EDAB CC[C@@H](Sc1nnc(O)[nH]c1=O)C(=O)Nc1ccc(C)c(F)c1 71405368 VERPXTHGWBCXNF-SNVBAGLBSA-N 338.364 1.827 0 40 EDAB NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2F)cc1 32831845 IVRZNIUZKWPXNO-UHFFFAOYSA-N 338.360 1.168 0 40 EDAB COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2ccc(OC)nc2)cc1 77261923 FQCYHRSNFAXDDO-PSBWJHGTSA-N 344.411 1.466 0 40 EDAB biogenic,in-vitro O=C(CCc1ccsc1)N1CCN(C(=O)Cc2ccccn2)CC1 78406324 DYEBPXOEZUEILE-UHFFFAOYSA-N 343.452 1.989 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CCCN(c3cnccn3)C1)C2 72278940 XFQULIIMYAAAOS-LSDHHAIUSA-N 340.431 1.329 0 40 EDAB Cc1ccccc1-c1noc(CCC(=O)NCCN2CCOCC2)n1 41184268 VAMNBZRVCRGIDW-UHFFFAOYSA-N 344.415 1.426 0 40 EDAB CCOc1ccccc1N1C[C@H](C(=O)NC(C)(C)C(=O)OC)CC1=O 46217120 AWIWEISDBUNASG-GFCCVEGCSA-N 348.399 1.506 0 40 EDAB O=C(c1ccc(-n2ccnc2)nc1)N1CCN(c2ncccn2)CC1 40043272 QOTYCUSRNSLTJQ-UHFFFAOYSA-N 335.371 1.020 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2nccc(N)n2)c1 567658778 GRMUKUFJFGOSCN-JQWIXIFHSA-N 328.372 1.906 0 40 EDAB CCOC[C@H]1CN(C(=O)N[C@H](C)c2nnc3n2CCCC3)CCO1 527818072 ASBNQNCCVMOWJW-CHWSQXEVSA-N 337.424 1.122 0 40 EDAB C[C@H]1CN(C(=O)Cn2cnnn2)c2cc(Br)ccc2O1 195273460 VDVWSGCMTAXQCS-QMMMGPOBSA-N 338.165 1.250 0 40 EDAB CCOC(=O)Cn1nc(SC)n2c(=O)c3cc(C)sc3nc12 40285983 KXGHEMMILFBIMX-UHFFFAOYSA-N 338.414 1.699 0 40 EDAB O[C@@H]1CCN(Cc2nc(C3(O)CCN(CC4CC4)CC3)cs2)C1 225465467 LDCXKGNHCSPRTF-CQSZACIVSA-N 337.489 1.403 0 40 EDAB biogenic,in-vitro Cc1ccc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CCCCO3)C2)o1 96208522 BQEQXULDNHXXEZ-QAPCUYQASA-N 334.416 1.981 0 40 EDAB CCS(=O)(=O)N[C@@H]1CN(Cc2cccnc2)C[C@@H]2CCCO[C@@H]21 96040639 TXEPVJYQJVKAEA-XHSDSOJGSA-N 339.461 1.000 0 40 EDAB CC(C)CS(=O)(=O)NCc1ccccc1CN1CCC(O)CC1 96492634 ZJNYHOHSOSHQEL-UHFFFAOYSA-N 340.489 1.719 0 40 EDAB O=C1CCC2(CCN(c3ncc(F)cn3)CC2)N1CCN1CCCC1 96228139 IAUNZUBZRNHVSA-UHFFFAOYSA-N 347.438 1.673 0 40 EDAB Cn1ccnc1CN1CCO[C@@]2(CCCN(c3ncc(F)cn3)C2)C1 96226573 SWLWKQONLQOFEF-KRWDZBQOSA-N 346.410 1.221 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)c1cc(-c3cccnc3)on1)CC2 97198673 MHAWDIJBUMVUAG-GFCCVEGCSA-N 338.371 1.635 0 40 EDAB C[C@H](Cn1cc(Br)cn1)NCCCc1cnn(C)c1 95421674 OWFNMYXATSUIIJ-LLVKDONJSA-N 326.242 1.990 0 40 EDAB Cc1nnc(NC(=O)CCCc2nnc3ccc(Cl)nn23)s1 96231178 HGJDBBZUXBYRQF-UHFFFAOYSA-N 337.796 1.899 0 40 EDAB Cc1cc(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)[nH]n1 96445595 MUHTVBRVEQMZAL-UHFFFAOYSA-N 340.427 1.929 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(CCN3CCCC3)CC2)N1 96199741 UAVGVLNVZHPRNY-KRWDZBQOSA-N 328.460 1.616 0 40 EDAB C[C@H](CNC(=O)NC[C@H]1CN(C)CCN1C)Oc1cccc(F)c1 96440139 UGEICPMNJWVZEV-HIFRSBDPSA-N 338.427 1.138 0 40 EDAB Cn1cnc(-c2nc(C(=O)NCCN3CCCC3)c3ccccn23)c1 96154981 GVQVTCMFWFMOTK-UHFFFAOYSA-N 338.415 1.560 0 40 EDAB O=C1CO[C@@H]2CN(Cc3cccs3)C[C@H]2N1Cc1ccncc1 96054265 FQWXMMJIPNCRQM-HZPDHXFCSA-N 329.425 1.755 0 40 EDAB Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(=O)c2ccno2)cs1 96186374 QQUICSZGDRUAOJ-CHWSQXEVSA-N 346.412 1.845 0 40 EDAB CCCS(=O)(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccs2)C1 249687587 HKQQMKWUSRWQAQ-DZGCQCFKSA-N 342.486 1.816 0 40 EDAB CCOC[C@@H]1CCS(=O)(=O)C12CN(Cc1cccnc1OC)C2 247816153 BHKPIOWUVSGRPF-AWEZNQCLSA-N 340.445 1.116 0 40 EDAB COc1c[nH]c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1=O 524732781 NKTODPIFYUNYES-UHFFFAOYSA-N 337.376 1.076 0 40 EDAB COCC(=O)N1CC2(CCN(Cc3ccccn3)CC2)C[C@]1(C)CO 257290625 QDRBZWCJVONNDA-GOSISDBHSA-N 347.459 1.294 0 40 EDAB CCCCc1nc(CN2CCN(C(C)=O)C[C@H](C(=O)N(C)C)C2)c[nH]1 257209269 BPRUCQNQXRIGPH-OAHLLOKOSA-N 349.479 1.121 0 40 EDAB O=C(CCN1C(=O)CCCC1=O)N1CCC2(CC=CCOC2)CC1 257305465 SQDVBRRSGAHCBM-UHFFFAOYSA-N 334.416 1.501 0 40 EDAB Cc1c[nH]c([C@@H]2COCCN2S(=O)(=O)c2ccc(F)cc2)n1 257242787 IEDDNWBIFQIJRY-ZDUSSCGKSA-N 325.365 1.619 0 40 EDAB NC(=O)C[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1Oc1ccccc1 257280289 OKIAEFMPXPHMIY-WFASDCNBSA-N 328.372 1.195 0 40 EDAB CCO[C@@H]1C[C@H](N(C)C(=O)c2ccnc3c(C(=O)O)cnn23)C1(C)C 585134122 FGIWUASXBITYRN-QWHCGFSZSA-N 346.387 1.703 0 40 EDAB O=C(COC[C@H]1CCCO1)N1c2nc(Cl)ccc2N2CC[C@H]1C2 585125212 KNXBNVRAFRARFQ-NWDGAFQWSA-N 337.807 1.856 0 40 EDAB COc1ccccc1[C@@H]1CN(CC(=O)N2CCCC2)CCN1C(C)=O 257311017 UHOWMVMDATYINP-KRWDZBQOSA-N 345.443 1.523 0 40 EDAB O=C(CC1CC1)N1CCC[C@]1(C(=O)N1CCCC1)c1cnccn1 257288601 PUWSXUXSOHYYMJ-GOSISDBHSA-N 328.416 1.717 0 40 EDAB CCn1cc(C(=O)N2CCO[C@H](c3cc(O)nc(C)n3)C2)c(C)n1 257246787 IVVRKXZMIUUWEN-AWEZNQCLSA-N 331.376 1.229 0 40 EDAB CN(C)Cc1ccnc([C@H]2CCCN2C(=O)Cc2cccnc2)n1 257200174 ACGSTJCGLALSRX-MRXNPFEDSA-N 325.416 1.839 0 40 EDAB CC(=O)N1CCN(C(=O)c2cnn3cccnc23)[C@@H](c2ccccc2)C1 257271707 MZLGYPYWBQQUIC-QGZVFWFLSA-N 349.394 1.775 0 40 EDAB CN([C@H](C(=O)NCc1ccccc1)c1ccccc1)S(C)(=O)=O 260815304 VVNXYWPXGVGKDJ-INIZCTEOSA-N 332.425 1.936 0 40 EDAB CC(C)Cn1cnc(S(=O)(=O)N[C@H](C(=O)O)c2cccs2)c1 547868853 RZLAWENTYLMAOP-LBPRGKRZSA-N 343.430 1.705 0 40 EDAB O=C(CN1CCCC1=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1 1615057741 IFXCECYTFPQTGT-UHFFFAOYSA-N 343.358 1.597 0 40 EDAB COc1c(CNC(=O)c2ccc(C(F)(F)F)c(O)n2)c(C)nn1C 1615556497 DZRPJBSINKXOLC-UHFFFAOYSA-N 344.293 1.787 0 40 EDAB O=S(=O)(CCC(F)(F)F)NC[C@@H](c1ccco1)n1cccn1 575604749 FCDAJBOJVFUSDE-JTQLQIEISA-N 337.323 1.937 0 40 EDAB CNc1cc(C(=O)N2CC[C@@](O)(COc3ccccc3C)C2)ccn1 585277433 UOKQAJAVUVEFBB-IBGZPJMESA-N 341.411 2.088 0 40 EDAB CC(C)(C)OC(=O)N[C@@H](Cc1cc[nH]n1)C(=O)NCCc1ccco1 585141714 XGYIZMIECOQVSX-AWEZNQCLSA-N 348.403 1.797 0 40 EDAB Cc1noc(CC(=O)N2C[C@H]3CN(Cc4csc(C)n4)C[C@@H]3C2)n1 585107615 VDCDAGDYKUDYIT-CHWSQXEVSA-N 347.444 1.276 0 40 EDAB O=C(CN1CCCC1)N1CCO[C@](CO)(Cc2cccc(F)c2)C1 585276734 HYVBDQMXDUOCOE-GOSISDBHSA-N 336.407 1.054 0 40 EDAB Cc1cc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)n(C)n1 65402504 WTWVXXNNFILHIU-UHFFFAOYSA-N 345.422 1.420 0 40 EDAB c1cncc(CN2Cc3ccnn3CC[C@@H]2COc2cnccn2)c1 585097621 NWTGUXCDQVQUIL-QGZVFWFLSA-N 336.399 1.922 0 40 EDAB Cc1nc(C)n(CC(=O)N2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)n1 585277989 ZILNQDWYWAEFNP-NVXWUHKLSA-N 346.406 1.486 0 40 EDAB CCN1CCCN(c2ncnc3c2c(Br)nn3C)CC1 69601842 LRFKHJNZBYDRQM-UHFFFAOYSA-N 339.241 1.658 0 40 EDAB Cn1cc(/C=C/C(=O)NCc2ccccc2CN2CCOCC2)cn1 44869918 ZLBNDXIOVQQKFX-VOTSOKGWSA-N 340.427 1.582 0 40 EDAB O=C(CCNc1ncccn1)Nc1cc(C(F)(F)F)c[nH]c1=O 53746783 USAKJOYSVIKDNO-UHFFFAOYSA-N 327.266 1.624 0 40 EDAB COc1cc(CCC(=O)NC2CCN(C)CC2)cc(OC)c1OC 61030978 ZOPNMAMBCUOMFW-UHFFFAOYSA-N 336.432 1.855 0 40 EDAB CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1nncs1 79018172 NFEJITPLCZUQIH-CYBMUJFWSA-N 347.375 1.844 0 40 EDAB COC(=O)CN1CCCN(C(=O)Nc2nc(C)c(C)s2)CC1 75107516 UWARGJCFVMEIIV-UHFFFAOYSA-N 326.422 1.473 0 40 EDAB Cc1cc(N(C)C)nc(N[C@@H]2CCCN(Cc3noc(C)n3)C2)n1 75584717 ONMIUSYCEXAJNL-CYBMUJFWSA-N 331.424 1.619 0 40 EDAB CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)C1CCCC1 58419302 DUEYZFMAUSXSIN-MRXNPFEDSA-N 328.416 1.898 0 40 EDAB COC[C@@H]1CN(c2nc(OC)ncc2Cl)C[C@H]1c1cnn(C)c1 585655460 HUBKTXUGOYRSQX-RYUDHWBXSA-N 337.811 1.739 0 40 EDAB O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(CCO)CC1 12998513 VZHRABSHLMHPEH-UHFFFAOYSA-N 339.244 1.292 0 40 EDAB COc1ccccc1N(CC(=O)N1CCC[C@H](C)C1)S(C)(=O)=O 13670119 QRPOUBRGGIGJLD-ZDUSSCGKSA-N 340.445 1.720 0 40 EDAB C[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)C[C@@H](C)O1 17326991 IIMCQTOLOCGURG-DTORHVGOSA-N 345.193 1.408 0 40 EDAB CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1cc(C)ccc1OC 19365187 MOMWZSJUTXYGBO-KRWDZBQOSA-N 333.476 1.688 0 40 EDAB Cn1ccnc1CNC(=O)[C@@H]1[C@@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C 19576338 PYFQETZYGCXPEP-PMUMKWKESA-N 338.367 1.124 0 40 EDAB Cc1noc(C)c1CC(=O)N1CC[C@H](Oc2ccc(N(C)C)nn2)C1 225446795 KEPIVNVPLLNXRM-ZDUSSCGKSA-N 345.403 1.370 0 40 EDAB NC(=O)C[C@H]1CN(Cc2nccs2)C[C@H]1OC(=O)c1ccccc1 643586880 HMJWJVJFOJMNBK-UONOGXRCSA-N 345.424 1.676 0 40 EDAB Cc1ccccc1C(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 575614870 BBWOUIUKZRBXGJ-UHFFFAOYSA-N 339.461 1.243 0 40 EDAB CN(CCCCO)C(=O)[C@H]1CN(Cc2ccccc2)C[C@]12CCOC2 585121893 FAMSIMLGNNSGHV-QUCCMNQESA-N 346.471 1.756 0 40 EDAB CC(=O)NCCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 3406908 XTFVZVDDGGFRMU-UHFFFAOYSA-N 345.321 1.629 0 40 EDAB CSc1nc(C)cc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)n1 1889102977 YVXVEQQMNSMKMA-CYBMUJFWSA-N 336.461 1.725 0 40 EDAB CCC1(CC)NC(=O)N(C[C@H](O)COCc2ccccc2F)C1=O 24209685 BZBSYXIOBWOYOC-ZDUSSCGKSA-N 338.379 1.814 0 40 EDAB CCN(CC)C(=O)Cn1nc(Br)nc1Br 8296461 YTUYGIIKUXBCJC-UHFFFAOYSA-N 340.019 1.672 0 40 EDAB O=C(c1ccnc(F)c1)N1CC2(C[C@H](N3CCOCC3)CS2)C1 2056224030 AXHTYZJYCLAGDD-ZDUSSCGKSA-N 337.420 1.253 0 40 EDAB O=C(CC1CCOCC1)N1C[C@@H]2OCCN(c3ccccn3)[C@H]2C1 2056225369 OPUWRDNHFYVJJJ-HOTGVXAUSA-N 331.416 1.314 0 40 EDAB COCc1cn([C@H]2CCN(C(=O)NCc3ccc(OC)cc3)C2)nn1 1565523343 LQUZBHSSXRXLSY-HNNXBMFYSA-N 345.403 1.590 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)CS[C@H](C)C2=O)c(OC)c1 2711158 RKULVBLWGVZKMA-SECBINFHSA-N 338.385 1.133 0 40 EDAB Nn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nncc1=O 4854880 QAOGVIXVRZQTLV-UHFFFAOYSA-N 346.199 1.390 0 40 EDAB COc1cccc(-n2nnn([C@H]3CC(=O)[C@@H]4OC[C@H]3O4)c2=S)c1 6659539 SWMDIWLUJASZTA-CYZMBNFOSA-N 334.357 1.062 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCCC2)no1 8864203 DMJIJHMLJWRGST-CYBMUJFWSA-N 348.428 1.936 0 40 EDAB COc1ccccc1OCC(=O)N1c2ccccc2C[C@H]1C(N)=O 9820182 BVZKKWIGFIXJNB-AWEZNQCLSA-N 326.352 1.517 0 40 EDAB Cc1cc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)on1 12422360 UIXYXVUFJDNAPT-UHFFFAOYSA-N 338.370 1.492 0 40 EDAB CCOc1ccc(CC(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1 206978022 KAWJUDSBBCARHV-CYBMUJFWSA-N 348.424 1.924 0 40 EDAB O=C(NCC1CCN(C2CCOCC2)CC1)C(=O)Nc1cccnc1 225565140 DJTFEDQEDWQLDF-UHFFFAOYSA-N 346.431 1.027 0 40 EDAB Cn1nc(C(=O)NCCn2nnc3ccccc3c2=O)c2ccccc21 225797653 QJUZBWHMDXGKBT-UHFFFAOYSA-N 348.366 1.108 0 40 EDAB CCc1ccc(NC(=O)CCc2c(C)[nH]c3ncnn3c2=O)cc1 12389662 YILJCUKNPZYNGU-UHFFFAOYSA-N 325.372 1.860 0 40 EDAB COc1ccc(OCC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 40553679 LSSSRTUEJWIAPE-CQSZACIVSA-N 342.399 1.649 0 40 EDAB COCC(=O)N1CCN(Cc2cc(-c3ccc(C)cc3)no2)CC1 40540697 YVTVQRKJULPXMK-UHFFFAOYSA-N 329.400 1.941 0 40 EDAB CCOC(=O)c1c[nH]n(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1=N 101142398 FFRCBNQMYJPKOQ-CYBMUJFWSA-N 346.431 1.992 0 40 EDAB CCn1nc(C(C)C)cc1C(=O)NCCNC(=O)c1cccnc1 32365381 BZJCRQJQQKTZPE-UHFFFAOYSA-N 329.404 1.581 0 40 EDAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)c1 21203885 ZXYRSDQIGKVPHT-CQSZACIVSA-N 329.356 1.764 0 40 EDAB NC(=O)CN1C(=O)[C@](O)(CC(=O)c2cccs2)c2ccccc21 565373 UDAJCEYKLXAPKL-INIZCTEOSA-N 330.365 1.041 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)NCCCOCc1ccccc1 41999994 CCPDMMMVVRPWNE-HNNXBMFYSA-N 340.445 1.134 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)Cn1cc(Br)ccc1=O 42369446 SDKCRAHNPHOEKG-JTQLQIEISA-N 339.193 1.012 0 40 EDAB Nc1nn2c(=O)cc(CSc3nnc(-c4ccccc4)[nH]3)nc2[nH]1 103772597 WJCREXBQKIOSRQ-UHFFFAOYSA-N 340.372 1.077 0 40 EDAB COc1ccc(OC)c(N2C[C@H](C(=O)N[C@@H](C)C3CC3)CC2=O)c1 23111384 ITTDZNDJRGBZNJ-WCQYABFASA-N 332.400 1.971 0 40 EDAB CC(C)C[C@H]1NC(=O)N(C[C@H](O)COCc2ccccc2F)C1=O 24090631 JLHAQWLGHVEKKP-DZGCQCFKSA-N 338.379 1.670 0 40 EDAB NC(=O)N[C@@H](CC(=O)NC[C@H]1Cc2ccccc2O1)c1cccs1 47687513 WRBCHKGEKFYOJN-OLZOCXBDSA-N 345.424 1.968 0 40 EDAB Cn1cc(C(=O)OCC(=O)N(Cc2ccccc2F)C2CC2)cn1 25119655 NGSPWLMLXDJZAC-UHFFFAOYSA-N 331.347 1.907 0 40 EDAB CC(C)N1CCN(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1 25136870 IYNSLDRCYXJXCB-UHFFFAOYSA-N 343.427 1.502 0 40 EDAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)O)cc2)C1 4137151 KCUTXXYCHGIZOJ-LBPRGKRZSA-N 341.385 1.349 0 40 EDAB Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)o1 43722730 IHOXDCAWMRBAHC-NWDGAFQWSA-N 329.422 1.372 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@H](C)c3cccnc3)CC2)on1 43787681 RKJNBCALFDESNT-CQSZACIVSA-N 329.404 1.966 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=S)NCCCN(C)C)c(C)c1 7373828 HCWQMUHFYDEJCT-UHFFFAOYSA-N 336.505 1.966 0 40 EDAB O=C1Cc2cc(S(=O)(=O)Nc3ccccc3C(=O)O)ccc2N1 12560933 FEWKKDZNCVBCCE-UHFFFAOYSA-N 332.337 1.680 0 40 EDAB CCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 8476112 SNIUSAUZGNPTPX-UHFFFAOYSA-N 326.418 1.620 0 40 EDAB CCCc1cc(=O)oc2cc(OCC(=O)NCCC(=O)O)ccc12 2094109 GMZAKHPJDXGOAM-UHFFFAOYSA-N 333.340 1.715 0 40 EDAB biogenic CCNS(=O)(=O)c1ccc(C(=O)/N=c2/sccn2C)cc1 58163136 SDROWDYGGWRVRA-FYWRMAATSA-N 325.415 1.126 0 40 EDAB Cc1cc(C)n(CCCNC(=O)c2ccnc(-n3cncn3)c2)n1 58329849 HFWCPZCIWGXLNC-UHFFFAOYSA-N 325.376 1.296 0 40 EDAB CCN(C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)C1CCCC1 58391553 OQMVFIYLLKBPLC-UHFFFAOYSA-N 342.465 1.188 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cccnc1 56635834 LKODKLZBLDFLGT-LLVKDONJSA-N 337.376 1.204 0 40 EDAB O=S(=O)(NC[C@@H]1CCOC1)c1ccc(OC(F)(F)F)cc1 45743389 JNHJLJGJIWWBDU-VIFPVBQESA-N 325.308 1.900 0 40 EDAB CCOc1ccccc1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 29196656 XOPQRQNJCVZDEU-LBPRGKRZSA-N 326.418 1.239 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 29207935 AKFKPRLSJHJVCI-ZDUSSCGKSA-N 333.413 1.389 0 40 EDAB CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)C(=O)N(C)C 46034996 NQUTWEZBFGPIOP-CQSZACIVSA-N 330.425 1.748 0 40 EDAB CC[C@@H]1c2ccsc2CCN1CC(=O)N[C@@H]1CCCCNC1=O 46054767 MLGUYFCLXUZHLU-ZIAGYGMSSA-N 335.473 1.842 0 40 EDAB CN1C(=O)N(CC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)C12CCCCC2 101715589 BYGPLNJADXUEPM-SOUVJXGZSA-N 345.443 1.912 0 40 EDAB CCNC(=O)C1CN(C(=O)[C@H](O)c2ccc(Br)cc2)C1 95979473 OAXGCTVJFQIIMB-GFCCVEGCSA-N 341.205 1.077 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)c3cscn3)CC2)C1=O 108534242 VVNACXGRWOEEAD-INIZCTEOSA-N 337.445 1.634 0 40 EDAB C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC(N)=O 3324150 MLILLJZCMYIJKV-VIFPVBQESA-N 345.311 1.272 0 40 EDAB Cc1cc(C)c(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)o1 176351080 MVMQCZVRCOZQNG-UHFFFAOYSA-N 344.415 1.912 0 40 EDAB CC1CCN(CCNC(=O)NCc2nncn2-c2ccccc2)CC1 48302155 HECGELPNNZFUKF-UHFFFAOYSA-N 342.447 1.798 0 40 EDAB CC(C)CN1CCO[C@H](CNC(=O)CSCc2ccccn2)C1 48314411 RTIGUUUIGAHSGL-MRXNPFEDSA-N 337.489 1.788 0 40 EDAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCCN1CCCC1 12907094 GPWCSDPUBFAORH-UHFFFAOYSA-N 333.476 1.531 0 40 EDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(CCOCC(F)(F)F)C2)C1=O 84668086 QWHRCCQUORYTJU-MFKMUULPSA-N 337.342 1.218 0 40 EDAB Cc1cc(S(=O)(=O)NCc2cccnc2)ccc1N1CCCC1=O 20105031 WPMWZGJCYUMHEE-UHFFFAOYSA-N 345.424 1.995 0 40 EDAB CS(=O)(=O)NCCN1CCC[C@@H](COc2ccccc2Cl)C1 95436528 FNILTZLLRJIBFF-CYBMUJFWSA-N 346.880 1.980 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCNC2)c(Br)c1 71310313 HTNXDFCVVGPMLA-SNVBAGLBSA-N 333.251 1.740 0 40 EDAB O=C(C1CC=CC1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005314 GTHRVXFVINDWCS-OAHLLOKOSA-N 326.462 1.806 0 40 EDAB O=C1CN(CC(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)C(=O)N1 409412889 ZXYWHPWJNFPNIM-BQGCOEIASA-N 327.384 1.237 0 40 EDAB C[C@H]1Cc2ccccc2N1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 65457021 GACDSFXQAHYQLX-JTQLQIEISA-N 340.383 1.088 0 40 EDAB CCOCCN(C[C@H](C)C(=O)OC)C(=O)Cc1ccccc1OC 65550680 ORYPSJURGJFEPD-AWEZNQCLSA-N 337.416 1.912 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CC[C@H](C(N)=O)C1 65515762 KWPXVUYJTHHISI-HNNXBMFYSA-N 340.427 1.756 0 40 EDAB CN(C)[C@H](CNC(=O)CSc1nnnn1C1CC1)c1ccccc1 14120019 SKPABAZNBWMRPE-CQSZACIVSA-N 346.460 1.519 0 40 EDAB Cc1cccc(C)c1-n1nnnc1S[C@H](C)C(=O)N1CCOCC1 14182246 WEDXJAPRYREKPN-CYBMUJFWSA-N 347.444 1.619 0 40 EDAB Cc1cccc(S(=O)(=O)N2CCN(C(=O)NCC(C)C)CC2)c1 14165665 ZCUFLBYZUCSBAK-UHFFFAOYSA-N 339.461 1.667 0 40 EDAB CC(C)C(=O)N1CCN(C(=O)CCNC(=O)Nc2ccccc2)CC1 14240740 IMEUNIXKTVSWLA-UHFFFAOYSA-N 346.431 1.525 0 40 EDAB COCC(=O)Nc1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1 66159012 RXEBCHDFFYWJOV-MRXNPFEDSA-N 346.431 1.974 0 40 EDAB Cc1ccccc1S(=O)(=O)NCCNC(=O)N1CCCCC1 4715494 XGOJSEVFNBNMBE-UHFFFAOYSA-N 325.434 1.469 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)NCc2ccco2)C1 521396679 ODHSMVJCJNNOAD-NFAWXSAZSA-N 340.445 1.594 0 40 EDAB CCCN1CCC(N2CCN(c3ccnc(N(C)C)n3)CC2)CC1 95960969 BHIMUZHTMLQUBW-UHFFFAOYSA-N 332.496 1.539 0 40 EDAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(c1ccccc1)S(C)(=O)=O 408908217 VSNQGWQAKUKISQ-JSGCOSHPSA-N 326.418 1.136 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1 16499825 KWMMUYGMZUQCML-UHFFFAOYSA-N 346.412 1.926 0 40 EDAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)C[C@@H]1C=CS(=O)(=O)C1 71847422 JPKJBNSKFUWGCU-FZMZJTMJSA-N 335.381 1.066 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)c1 71870927 KGSMWWOHPWNJAA-CQSZACIVSA-N 329.404 1.298 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1C[C@@H](O)COCc1cccs1 71855273 RBWHEOHPLWFADE-GFCCVEGCSA-N 338.429 1.880 0 40 EDAB CC(C)(C)c1nnnn1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 71839267 QDFCJICSEWHVAB-AWEZNQCLSA-N 347.394 1.710 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)n1 69368317 OCOLUUJRNBETFJ-IRXDYDNUSA-N 328.416 1.427 0 40 EDAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCO[C@H](Cn2cccn2)C1 69391676 RPRVHBGFGDDFCX-RDJZCZTQSA-N 340.427 1.562 0 40 EDAB CSc1cccc(N2C[C@H](C(=O)NCCNC(C)=O)CC2=O)c1 8394936 VXSNCXPVBVLXAR-GFCCVEGCSA-N 335.429 1.014 0 40 EDAB O=S(=O)(c1ccc(CN[C@@H]2C[C@@H]3CC=C[C@@H]32)cc1)N1CCOCC1 8395461 BCUVQWFAWWZSIW-RYQLBKOJSA-N 348.468 1.762 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)Cc3ccn(C(C)C)n3)CCO2)n1 83829936 NBXVSGPSRDUABZ-CYBMUJFWSA-N 332.408 1.287 0 40 EDAB NC(=O)CN1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 69441399 ZINTWTSPXIDAOX-VXGBXAGGSA-N 335.370 1.375 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)c3sccc3-n3cnnn3)C2)c1 69451820 FMPVHIPVELZZEJ-LBPRGKRZSA-N 343.416 1.706 0 40 EDAB COCCCN(C(=O)CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 69527503 ZHCSVUYFLHYHLO-CYBMUJFWSA-N 345.486 1.733 0 40 EDAB COC(=O)CSCc1cccc(NS(=O)(=O)c2cn[nH]c2)c1 69513761 WBVBSDHJUPXZTH-UHFFFAOYSA-N 341.414 1.617 0 40 EDAB Cc1noc([C@@H](C)N[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 69624793 NCMWBVPWSCDOPI-ZWNOBZJWSA-N 332.408 1.954 0 40 EDAB C[C@@H](NC(=O)NC1CCN(CCc2ccncc2)CC1)[C@@H]1CCCO1 69700787 IISHIWGTJNMEEX-QAPCUYQASA-N 346.475 1.955 0 40 EDAB COCCN1CCN(CC(=O)N(C)Cc2cccc(F)c2)C[C@@H]1C 69849536 FCEXDRBCERLDNM-HNNXBMFYSA-N 337.439 1.437 0 40 EDAB CCOc1ncccc1CNC(=O)N1CCC(n2cncn2)CC1 69813362 ZZTORQCPHMZKGQ-UHFFFAOYSA-N 330.392 1.619 0 40 EDAB COCCN1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1 69976784 LYIBIEDIGFYCLI-CQSZACIVSA-N 337.489 1.285 0 40 EDAB CCS(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1 175675094 XQJHQMQMVVUYBC-UHFFFAOYSA-N 335.223 1.669 0 40 EDAB COc1ccc(CNc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1 22767803 ZMRZSSUPMSFLOC-UHFFFAOYSA-N 326.356 1.253 0 40 EDAB CCc1cc2c(=O)n(NC(=O)C3CCN(C(C)=O)CC3)cnc2s1 9754070 YFARDHGMORUYDV-UHFFFAOYSA-N 348.428 1.349 0 40 EDAB O=C(NCc1ccccn1)C1CCN(c2ncnc3[nH]cnc23)CC1 9060318 YNFLZPQNOOMBPR-UHFFFAOYSA-N 337.387 1.281 0 40 EDAB Cc1cccc(C)c1OC[C@@H](C)NC(=O)NCCc1ncnn1C 97013753 XCTCLZPQUPNLQT-CQSZACIVSA-N 331.420 1.741 0 40 EDAB Cc1ccc(Br)cc1C(=O)N[C@@H](C)CS(C)(=O)=O 72295192 ZWCGUPHFJLGJIT-VIFPVBQESA-N 334.235 1.920 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCc3nc(C4CC4)no3)C2)n1 72292373 RLVSHKPTEJKIED-CQSZACIVSA-N 344.419 1.952 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)NC[C@@H]2CCCN2c2cccnn2)no1 72276736 AUJVLYNIIYEZTC-OLZOCXBDSA-N 330.392 1.359 0 40 EDAB C[C@H](O)C1CCN(c2nccnc2N2CCC([C@H](C)O)CC2)CC1 97144846 LWDNKGNLZLHNHW-KBPBESRZSA-N 334.464 1.671 0 40 EDAB Cc1nn(CCO)c(C)c1CNCc1ccc(-n2cccn2)cc1 97159884 VEMJXLCDHACBJD-UHFFFAOYSA-N 325.416 1.968 0 40 EDAB CN(C)S(=O)(=O)CC(=O)NCCc1cccc(-c2ccccc2)c1 97107383 DVIICEBJRMTDIJ-UHFFFAOYSA-N 346.452 1.904 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)N1CCO[C@@H](CCc2ccccc2)C1 97109982 MDOSAUHWJHBRRT-WBVHZDCISA-N 343.431 1.710 0 40 EDAB Cc1ccc(CCNC(=O)CNC(=O)c2cc3ccccc3[nH]2)cn1 72302886 LQYIZHRZYWLVDY-UHFFFAOYSA-N 336.395 1.960 0 40 EDAB CC[C@@H](C(=O)/N=c1/[nH]nc(-c2sccc2C)[nH]1)N1CCCC1=O 95962373 IZBPIAQHZRHVGT-JTQLQIEISA-N 333.417 1.603 0 40 EDAB CN1CCc2ncnc(N3CCC(c4nnc5n4CCC5)CC3)c2C1 97203994 DHZYMLDZTAUEJI-UHFFFAOYSA-N 339.447 1.386 0 40 EDAB CNC(=O)c1ccccc1NS(=O)(=O)c1cncc(Cl)c1 89392063 GDKIMVLBVXZZJC-UHFFFAOYSA-N 325.777 1.895 0 40 EDAB Cc1ccoc1C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 89701947 SQZPVRMSJYUGIM-MRXNPFEDSA-N 344.411 1.786 0 40 EDAB CC(C)(CNC(=O)[C@@H]1CNC(=O)N1)c1cccc(C(F)(F)F)c1 89761731 JKUXXXFNBWIXJF-NSHDSACASA-N 329.322 1.781 0 40 EDAB COc1cccc(COCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 76052884 QEQFYFJHGDURPY-QAPCUYQASA-N 348.443 1.391 0 40 EDAB CCn1nc2c(cc1=O)CN([C@H](C)C(=O)NCc1cccs1)CC2 76064465 QDHDODHXICXNOV-GFCCVEGCSA-N 346.456 1.388 0 40 EDAB Cn1ncnc1CNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 76790974 VTPOZRKTUACQAQ-CYBMUJFWSA-N 337.330 1.376 0 40 EDAB O=C(N[C@@H]1CCc2nc(N3CCOCC3)ncc2C1)C1CCCC1 306123073 ADYFLZLWBIZQCA-OAHLLOKOSA-N 330.432 1.477 0 40 EDAB Cn1cc(N2CCN(C(=O)[C@H]3CCc4cccc(O)c43)CC2)cn1 556459103 GEFUOWLZEMEKIK-HNNXBMFYSA-N 326.400 1.504 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCO)cc1C(=O)NCC(C)C 408582638 DXXVLGGDKXZKTB-UHFFFAOYSA-N 328.434 1.042 0 40 EDAB CCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408586477 AIZXXZZYXIUVGT-GFCCVEGCSA-N 328.434 1.524 0 40 EDAB COc1cccc([C@@H](CC(=O)O)NC(=O)CCn2cc(C)cn2)c1 532006097 PGHIGRDFOBYTHX-OAHLLOKOSA-N 331.372 1.922 0 40 EDAB COc1ccc([C@@H]2[C@H](C(=O)N3CCOCC3)CCC(=O)N2C)cc1 72242014 RTWPZZLECKPBPW-NVXWUHKLSA-N 332.400 1.464 0 40 EDAB CCOC(=O)[C@H](N)CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 38600271 WFLNMRHMSASNEO-LLVKDONJSA-N 331.409 1.567 0 40 EDAB in-vitro O=C(NC[C@](O)(c1ccccc1)C1CC1)C(=O)Nc1cccnc1 70968415 NTHDDOQIBLGYGL-SFHVURJKSA-N 325.368 1.434 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)CCO1 185616308 QPZQPQUDLRDULN-COXVUDFISA-N 345.443 1.857 0 40 EDAB COC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 72340207 MMUMROJPLZJRGC-VCBZYWHSSA-N 345.395 1.715 0 40 EDAB COc1ccc(-c2noc(CCC(=O)NCCCC(=O)O)n2)cc1 41097358 HXQDLUXDFZQHSW-UHFFFAOYSA-N 333.344 1.659 0 40 EDAB CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H]2CCCc3c[nH]nc32)cc1 564852944 VIAQIMHLNPGBNT-NVXWUHKLSA-N 344.415 1.775 0 40 EDAB Cc1nc2c([nH]1)CC[C@H](C(=O)NC[C@H]1COc3ccccc3O1)C2 225522560 HIAFUIPIJSFMKK-STQMWFEESA-N 327.384 1.779 0 40 EDAB O[C@@H](COc1ccccc1)CN1CCN(c2ncncc2Cl)CC1 195566288 NTOSYHIQTAAMAX-CQSZACIVSA-N 348.834 1.692 0 40 EDAB OCCN1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)CC1 64554816 NTWDPNNEEOCHOQ-UHFFFAOYSA-N 326.444 1.471 0 40 EDAB Cc1cccc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN(C)C)n1 96041491 BOBBTJDPJHAHTI-GVDBMIGSSA-N 333.432 1.340 0 40 EDAB CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCc3[nH]ncc3C2)C1 96420647 BIGZOOIOAATTNU-CQSZACIVSA-N 347.463 1.762 0 40 EDAB CS(=O)(=O)NCC[C@@]12CCO[C@@H]1CCN(Cc1cccs1)C2 96207529 TYJQWUBDGOXDBU-CABCVRRESA-N 344.502 1.668 0 40 EDAB CCOCc1ncn2c1CN(S(=O)(=O)c1cccc(C)c1)CC2 96260166 LVJBNUXRXBKPPI-UHFFFAOYSA-N 335.429 1.933 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1cccc(Cn3ccnc3)c1)CC2 97198493 CFJMNBNKEHFDNK-MRXNPFEDSA-N 336.399 1.576 0 40 EDAB CS(=O)(=O)N1CCCC[C@]12CCCN(Cc1nccs1)C2 96047417 DGWVVISPROPCPC-CQSZACIVSA-N 329.491 1.923 0 40 EDAB Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc(=O)n(C)n1)C(F)(F)F 330958966 ASNQMOCZDQSXGF-GFCCVEGCSA-N 343.309 1.164 0 40 EDAB O=C(c1cc2c([nH]c1=O)CCCC2)N1CCc2ccccc2[C@@H]1CO 97097620 KZJKGNNCCLPJTJ-SFHVURJKSA-N 338.407 1.986 0 40 EDAB COc1ccc(N2CCC[C@@H](C(=O)NCCc3ccco3)C2)nn1 96231048 APXVMLCIBXYFAF-CYBMUJFWSA-N 330.388 1.654 0 40 EDAB COc1ncccc1CN1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1 96207594 VKWBYSRLVZUHPA-VQIMIIECSA-N 345.443 1.836 0 40 EDAB Cc1cc(F)cc(-n2cc(NC(=O)CCS(C)(=O)=O)nn2)c1 585080791 RUXGORASLAJKEL-UHFFFAOYSA-N 326.353 1.088 0 40 EDAB CS(=O)(=O)NC[C@H]1OC[C@@H]2CCN(Cc3cccs3)C[C@H]12 96185443 PUEQYGNKTSGNAA-FPMFFAJLSA-N 330.475 1.134 0 40 EDAB CN(C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1)C1CCCC1 585139417 XIOWOKWWMYPTTL-OAHLLOKOSA-N 333.436 1.609 0 40 EDAB CN(CCN1CCCC[C@H]1CS(N)(=O)=O)Cc1ccccc1 585133475 JFEVJAXUMAVPQK-INIZCTEOSA-N 325.478 1.261 0 40 EDAB CCCS(=O)(=O)N1CC[C@](O)(CN(C)Cc2ccc(F)cc2)C1 257299341 RPQLGOWSXOSHQN-INIZCTEOSA-N 344.452 1.434 0 40 EDAB Cc1cc(N)cc([C@H]2CN(C(=O)CCn3ccccc3=O)CCO2)n1 257292237 QKPMXXOFRSBRTM-MRXNPFEDSA-N 342.399 1.124 0 40 EDAB Cc1ncc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)cn1 257302813 SEOCULGPZQCZQY-SJLPKXTDSA-N 345.374 1.969 0 40 EDAB Cc1cc(O)nc([C@H]2CN(Cc3ccccc3C(=O)O)CCO2)n1 257341112 ZIWADRULFPTKCS-CQSZACIVSA-N 329.356 1.762 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)s1 257262973 LNVNBMZDCIKUHG-INIZCTEOSA-N 347.444 1.311 0 40 EDAB COC(=O)CCCNC(=O)c1ccc(OCC2CCOCC2)nc1 253405676 SZCJAAMDHVDIEZ-UHFFFAOYSA-N 336.388 1.570 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1 257331311 XSHYWUAUGPEAQW-HNNXBMFYSA-N 343.339 1.433 0 40 EDAB CCOC1(C(=O)NS(=O)(=O)c2cnn(CC3CC3)c2)CCCC1 252500466 SWDOKICPEYLSAW-UHFFFAOYSA-N 341.433 1.447 0 40 EDAB Cc1cc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)no1 257236215 HBFLVJJAJUUDDQ-UHFFFAOYSA-N 329.404 1.587 0 40 EDAB CNc1cc([C@@H]2CCCN2C(=O)Cn2nc(C)ccc2=O)ccn1 257315243 VANCAPLGJMWYLY-AWEZNQCLSA-N 327.388 1.352 0 40 EDAB C[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1CC(=O)OC(C)(C)C 268309346 WEMWHNZFTPLPPD-LBPRGKRZSA-N 347.415 1.923 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)CC(C)(C)C)C1 260844239 IHGBCCKDRAZVCN-ZDUSSCGKSA-N 347.525 1.836 0 40 EDAB O=S1(=O)CCc2nnc(-c3cccc(OC(F)F)c3)n2CC1 630950801 FSKGJNXSPHXQHD-UHFFFAOYSA-N 329.328 1.517 0 40 EDAB C[C@@H](NC(=O)c1ncn(C(C)(C)C)n1)C(=O)N1CCc2ccccc21 1615001800 FOLPIINHCIHZDT-GFCCVEGCSA-N 341.415 1.741 0 40 EDAB Cn1cc(Cl)c(C(=O)N2CC3(CCOCC3)CC[C@H]2CO)n1 1615547219 FWWDQZIDHUOBNN-NSHDSACASA-N 327.812 1.467 0 40 EDAB CC(C)(C)CCCCNC(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 1615588166 OVPHZYSHFRHHFA-SJKOYZFVSA-N 338.452 1.880 0 40 EDAB CC1(C2CCN(c3nnnn3CCc3cccs3)CC2)OCCO1 1616039508 PIGUCQKWIDPJOM-UHFFFAOYSA-N 349.460 1.957 0 40 EDAB CO[C@]1(COc2cccc(C)c2)CCCN(C(=O)CNC(C)=O)C1 585275152 YLLUZRPQPSXAEA-GOSISDBHSA-N 334.416 1.518 0 40 EDAB O=S1(=O)CCC(CN2CCN(c3nc4ccccc4o3)CC2)CC1 271287470 LYDDTOBQXYOVGU-UHFFFAOYSA-N 349.456 1.775 0 40 EDAB C[C@@H](O)CN1CCN(CCC(=O)N2CCc3sccc3C2)CC1 71877378 VYXSUQDINIJUMV-CQSZACIVSA-N 337.489 1.021 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)c1cncc(Br)c1 33210044 HGJDQGJOBLZQLL-NSHDSACASA-N 326.194 1.585 0 40 EDAB C=CC(=O)NCCNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 72302880 TUKQJHSAQUSQFW-UHFFFAOYSA-N 326.356 1.646 0 40 EDAB Cc1cc(C)n(CCCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)n1 44998754 RKEBPOVCEODMJC-HNNXBMFYSA-N 332.448 1.797 0 40 EDAB O=C(NCCN1CCN(c2ccccc2)CC1)NC[C@H]1CCCO1 47580101 GLSZOCWMJGYGJJ-QGZVFWFLSA-N 332.448 1.287 0 40 EDAB CCNC(=O)NC(=O)CN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 75126676 NRNYQLIICPMUTP-GFCCVEGCSA-N 342.440 1.163 0 40 EDAB COC(=O)CN(CC(=O)Nc1ccccc1C(N)=O)C1CCCC1 79110785 PHZJWAURASBNRL-UHFFFAOYSA-N 333.388 1.142 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 5221804 NIGNMEVIQXYUNM-CYBMUJFWSA-N 346.408 1.779 0 40 EDAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)C(=O)O 13027303 CCAQUZPESXWNOP-JTQLQIEISA-N 335.765 1.426 0 40 EDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(OC)c1OC 13125251 HORCHUAREDLTFE-ZDUSSCGKSA-N 345.359 1.542 0 40 EDAB CC(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 14257851 LZQLKRKQSSKWAG-UHFFFAOYSA-N 326.853 1.925 0 40 EDAB Cc1ccccc1C1=NO[C@@H](CC2(C(=O)NCCO)CCOCC2)C1 19236966 IWWYHSYFKUEDSJ-OAHLLOKOSA-N 346.427 1.783 0 40 EDAB CN(CCN1CCCCC1)C(=O)CCn1c(=O)oc2ccccc21 19657695 AYFGISPSNALEQM-UHFFFAOYSA-N 331.416 1.929 0 40 EDAB NC(=O)NC(=O)COc1ncnc2sc(-c3ccccc3)cc12 3548651 OWOZCOLXSBDEOX-UHFFFAOYSA-N 328.353 1.932 0 40 EDAB CCC(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 11694098 LIZNYMQNUNHOCE-UHFFFAOYSA-N 345.399 1.388 0 40 EDAB COCCCn1c(=O)c2ccccc2n2c(SCCCO)nnc12 24789362 ICSDZHWNARZZRS-UHFFFAOYSA-N 348.428 1.555 0 40 EDAB Cc1cc(N2CCOCC2)nc(N2CCN(c3nccs3)CC2)n1 1889077209 IIZJOJLHIUMFAZ-UHFFFAOYSA-N 346.460 1.405 0 40 EDAB CN(Cc1cnn(C)c1)c1ccc(S(=O)(=O)N2CCCCC2)cn1 24585918 OJZOCXBWZUAQSP-UHFFFAOYSA-N 349.460 1.626 0 40 EDAB O=C(CSc1nnc(-c2ccc(F)c(F)c2)c(O)n1)NC1CC1 24747915 IKTFAQJCIPOXIS-UHFFFAOYSA-N 338.339 1.893 0 40 EDAB CCc1cc(C(=O)N2CCO[C@]3(CCCCN(C(C)C)C3=O)C2)on1 2037984428 BCSSSNSEMLYWHX-GOSISDBHSA-N 349.431 1.869 0 40 EDAB COCCOc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccn1 253473917 ZVGVPTVVZWMXBT-UHFFFAOYSA-N 330.340 1.766 0 40 EDAB CCn1cnc2c(N3C[C@@H]4CN(c5ccncn5)C[C@H]4C3)ncnc21 2087030039 KKGKVNJCDBPBSX-STQMWFEESA-N 336.403 1.209 0 40 EDAB COc1ccc2cc(C(=O)NC[C@@]3(OCCO)CCOC3)[nH]c2c1 617714231 CWXXXHKQTACLQL-KRWDZBQOSA-N 334.372 1.074 0 40 EDAB Cc1nc(NCCNC(=O)[C@@H](C)Oc2ccccc2)cc(N(C)C)n1 44213693 PNQCVLCJEIZHLC-CYBMUJFWSA-N 343.431 1.847 0 40 EDAB CCC(N[C@@H](C)Cc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 20028340 PMPLFWINBSNJHR-LBPRGKRZSA-N 329.400 1.922 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)CCO1 50859695 BDHYSGOIGJLUQW-LBPRGKRZSA-N 338.454 1.492 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cn2)n1 40510928 UNLNXYVDRUZEKP-GFCCVEGCSA-N 334.401 1.257 0 40 EDAB Cc1nnc2ccc(N3CCC[C@H](C(=O)NCCC(C)C)C3)nn12 32092507 MORDHONKNLQYIP-AWEZNQCLSA-N 330.436 1.811 0 40 EDAB Cc1ccc(SCC(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101336772 VAJVZQDRTMYAAN-GVAFMPQTSA-N 342.420 1.925 0 40 EDAB Cc1ccccc1OCCN(C)Cc1nc2c(cnn2C)c(=O)[nH]1 52799605 MBVXJDLQXPBVSZ-UHFFFAOYSA-N 327.388 1.476 0 40 EDAB CC(C)(C)c1nc2cc(NC(=O)Cn3ccc(=O)[nH]c3=O)ccc2o1 33215865 QFLKXWXGEKYWEH-UHFFFAOYSA-N 342.355 1.614 0 40 EDAB O=S(=O)(NCCCn1cncn1)c1ccccc1C(F)(F)F 41630259 AGALINLADAFIAF-UHFFFAOYSA-N 334.323 1.666 0 40 EDAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cn1 22415951 JILBEIGZHLTTBT-UHFFFAOYSA-N 343.387 1.083 0 40 EDAB CN(C)S(=O)(=O)CCC(=O)NC[C@H]1C[C@@]12CCc1ccccc12 104335364 ZONDLSDOKNUGJI-PBHICJAKSA-N 336.457 1.288 0 40 EDAB Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2CC(N)=O)c1 23350399 GIVPUDFWPKOKGG-UHFFFAOYSA-N 345.428 1.680 0 40 EDAB C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)[C@H](C)CO1 47528796 LIHLRJFHFJIPEA-NXEZZACHSA-N 329.194 1.247 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 23983434 YQYWTVDICYFWPG-ZDUSSCGKSA-N 339.413 1.505 0 40 EDAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ncccc1O 559982 MGIXWTVOPAIQGE-UHFFFAOYSA-N 333.369 1.931 0 40 EDAB COc1ccccc1CC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 47635851 GNUONGBVKUMFIW-DLBZAZTESA-N 348.443 1.091 0 40 EDAB Cc1ccc(N2CCCN([C@@H](C)C(=O)NCC(F)(F)F)CC2)nn1 105909528 QUHDZXRTCFOCJD-LBPRGKRZSA-N 345.369 1.364 0 40 EDAB C[C@H](NC(=O)N1CCO[C@H](CO)C1)c1ccc(Br)cc1 78830536 ZYAZBUIINLGXHN-GWCFXTLKSA-N 343.221 1.913 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)Nc1n[nH]c2c1c(CC)nn2C 79015415 SHXBPSIKSVSOGP-NSHDSACASA-N 332.408 1.588 0 40 EDAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(N)=O 3373091 BDDRQVGHQYRRFY-VIFPVBQESA-N 342.307 1.106 0 40 EDAB COc1cc(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)cc(OC)c1 4223156 MXWUEFNTFGGQRN-HRCADAONSA-N 347.415 1.432 0 40 EDAB COC(=O)c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](C)(O4)[C@H]3C2=O)ccc1Cl 100179300 FCBUFYFFWZMHFV-ZBYUQBLASA-N 347.754 1.960 0 40 EDAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NC[C@H]3CCCO3)C2)nc1 57418558 VLQNUBULVGYGBR-LSDHHAIUSA-N 346.431 1.929 0 40 EDAB CC(C)CN1C(=O)CO[C@@H]2CN(c3cc(C(F)(F)F)ncn3)C[C@@H]21 107252972 QQGIWANIBIOKFZ-WDEREUQCSA-N 344.337 1.567 0 40 EDAB CN(CCn1nc2ccccn2c1=O)C[C@@H]1COc2ccccc2O1 26922403 UUNRLXPNKVKMCZ-CQSZACIVSA-N 340.383 1.268 0 40 EDAB C[C@@H](NC(=O)CN1CCN(CCO)CC1)c1cccc2ccccc12 58029068 ISLXFNYQUFMADC-MRXNPFEDSA-N 341.455 1.627 0 40 EDAB CNC(=O)CN1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1 97466705 GVBXCOWRAKWUBF-UHFFFAOYSA-N 328.775 1.375 0 40 EDAB COC(=O)C1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 44870614 PDFSNQUULNMRDE-UHFFFAOYSA-N 344.411 1.768 0 40 EDAB CC(C)c1c(C(=O)N2CCC(C(N)=O)CC2)cnn1-c1ccccn1 44917312 LKOGRNVAQBVRLM-UHFFFAOYSA-N 341.415 1.728 0 40 EDAB CC(C)(C)c1nc(CN2CCC[C@H](CNS(C)(=O)=O)C2)no1 44977496 SXUPPOIOKYHVFT-LLVKDONJSA-N 330.454 1.128 0 40 EDAB CC(C)c1nn(C)c(N(C)C)c1CN[C@H](C(N)=O)c1ccccc1 58404156 FNCDDLYQPPXBTJ-INIZCTEOSA-N 329.448 1.926 0 40 EDAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cn(C)nc1-c1ccccc1 89246154 CSJNJCWCSNTKHI-QWHCGFSZSA-N 347.440 1.735 0 40 EDAB CN(C)C(=O)CN1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 45735818 MNMWFUKAMPNZQP-UHFFFAOYSA-N 346.406 1.687 0 40 EDAB CN(C)C(=O)c1cccc(NC(=O)Cc2cn3ccsc3n2)n1 95401023 CHZKCICXVBDUBX-UHFFFAOYSA-N 329.385 1.674 0 40 EDAB Cc1nc(C2CCN(S(=O)(=O)c3cncc(Cl)c3)CC2)no1 95437261 ATDPXSWKEABSQT-UHFFFAOYSA-N 342.808 1.995 0 40 EDAB CN(Cc1nnc2n1CCC2)C(=O)NCc1ccnc(N(C)C)c1 89322999 DUWCFFRSCIKOSS-UHFFFAOYSA-N 329.408 1.027 0 40 EDAB C[C@H]1CO[C@H](CO)CN1C(=O)c1ccc(F)c(Br)c1 95450090 QQPYIDFIIAYNBB-WPRPVWTQSA-N 332.169 1.810 0 40 EDAB Cc1ccc([C@@H](CNC(=O)c2cnc(N(C)C)cn2)N(C)C)cc1 95456851 NCJOXGNTFUVQEE-MRXNPFEDSA-N 327.432 1.884 0 40 EDAB O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCN(c2ccccn2)C1 95435555 OYYFCXWQMCBOEI-IRXDYDNUSA-N 340.427 1.563 0 40 EDAB O=C(CSc1nnc2ccccn12)NC(=O)Cc1ccccc1 2617819 KNRFKQSYEFTCFM-UHFFFAOYSA-N 326.381 1.707 0 40 EDAB CN(C)[C@H](CNC(=O)NCc1nnc2n1CCCCC2)c1ccco1 89312279 DFNMUVFXFVLPAW-CYBMUJFWSA-N 346.435 1.700 0 40 EDAB CCc1cccc2c(C(=O)COC(=O)c3ccc(=O)n(C)n3)c[nH]c12 60856240 DYEAUZQUJUCCCB-UHFFFAOYSA-N 339.351 1.864 0 40 EDAB C[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1nncn1C 46962513 HHCXLTOGGRWJQD-SMDDNHRTSA-N 333.367 1.798 0 40 EDAB COc1ccc(OC)c2c1CN(C(=O)NC[C@@H]1CCOC1)C[C@H]2O 47067333 FUDNBAOMZSOZOW-WCQYABFASA-N 336.388 1.299 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617582 LCEALLMHIWDAGW-YPMHNXCESA-N 332.429 1.056 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)CN1C(=O)[C@H](C)Oc2ccccc21 48263510 BOOROFGSYOKECZ-UONOGXRCSA-N 332.400 1.686 0 40 EDAB CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 12769209 JTCKLCGBANMFPM-UHFFFAOYSA-N 326.805 1.800 0 40 EDAB CCOC(=O)C1=C(CN(C)CC2CC2)NC(=O)N[C@H]1c1ccco1 48369047 ONSMIRFYOZOYPF-HNNXBMFYSA-N 333.388 1.793 0 40 EDAB Cc1cnc(N2CCC[C@@]3(CO[C@H](C(=O)NC4CCC4)C3)C2)nc1 107788524 QVFRNYRBOADMCG-YJBOKZPZSA-N 330.432 1.829 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1sccc1OC(F)F 95948367 HMBXIPREZIQAKK-ZETCQYMHSA-N 325.358 1.514 0 40 EDAB CCOc1ccc(-c2cn(C3CN(C(=O)[C@@H]4CCOC4)C3)nn2)cc1 95998045 SWRJYRRDRYLEJO-CQSZACIVSA-N 342.399 1.764 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C)CC2)cc1 56693307 IWYMQBNGBBYLNX-CYBMUJFWSA-N 340.445 1.621 0 40 EDAB COC(=O)Cn1cc(NS(=O)(=O)c2cccc(Cl)c2)cn1 38030614 HZEOSFKODQZQJV-UHFFFAOYSA-N 329.765 1.510 0 40 EDAB Cc1cc2c(cc1C)O[C@@H](C(=O)NCCc1nnc3n1CCCC3)C2 96012135 CJKDRTQNEKXKES-MRXNPFEDSA-N 340.427 1.894 0 40 EDAB COc1ccc(CC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 12921287 HSLVVZFHXJHORK-GFCCVEGCSA-N 348.424 1.763 0 40 EDAB CC(C)C[C@H](CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1 13007645 JNUTZSAOOUKXBS-OAHLLOKOSA-N 344.452 1.851 0 40 EDAB CC[C@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@@H]1N1CCOCC1 84735820 BMHVEZVFYMKUHW-WMZOPIPTSA-N 348.491 1.539 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cn4cccnc4n3)CCO2)n1 84759006 VQOXZBNXZKWQDD-GFCCVEGCSA-N 341.375 1.014 0 40 EDAB O=C(CCN1C(=O)COc2ccccc21)N1CCC2(CC1)OCCO2 4143329 GULQIDMVQAGBCK-UHFFFAOYSA-N 346.383 1.168 0 40 EDAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCCC1 5025478 DKMQVVYFXLGYFF-UHFFFAOYSA-N 331.372 1.997 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 95417388 GYVJMJDRKUTCCE-KGLIPLIRSA-N 344.333 1.866 0 40 EDAB Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1CC(C)C 4370791 BKNYEPPUWRSAJG-UHFFFAOYSA-N 331.420 1.770 0 40 EDAB COc1ncccc1CNC(=O)N[C@H]1CCCc2c1cnn2CCO 65417437 ZVXHRBPGZYWWSR-AWEZNQCLSA-N 345.403 1.156 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)NCc1ccc(-c2ccn[nH]2)cc1 65451883 FHDZBITYTYDPST-AWEZNQCLSA-N 343.431 1.597 0 40 EDAB C[C@H](NC(=O)C[S@](=O)Cc1cccc2ccccc12)C(=O)N(C)C 95417598 VOJFRVBLVBIAIB-RZFZLAGVSA-N 346.452 1.681 0 40 EDAB CC(C)CNc1nc(OCC(F)(F)F)nc(N2CCOCC2)n1 4591260 XXOOVJRBZBWTJL-UHFFFAOYSA-N 335.330 1.717 0 40 EDAB O=C(COCC(=O)N1CCCCCC1)NCc1ccc2c(c1)OCO2 6528340 GMNCWOFCWNBQAI-UHFFFAOYSA-N 348.399 1.451 0 40 EDAB C[C@@H]1CCc2sc3nc(NCCOCCO)n4ncnc4c3c2C1 5576406 MTQQGYYAKHKXCS-SNVBAGLBSA-N 347.444 1.885 0 40 EDAB CC(C)NC(=O)CN(C)c1nc(-c2ccncc2)nc2c1CCC2 66796868 NPOGSLKZVVEWEP-UHFFFAOYSA-N 325.416 1.988 0 40 EDAB C[C@H](NC(=O)[C@H](O)CN1CCCCC1)[C@@H]1COc2ccccc2O1 4811903 LQMCJXNMRPKICH-VBQJREDUSA-N 334.416 1.178 0 40 EDAB COC[C@H](C)NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 15301101 RZPOPYKKCILFND-DZGCQCFKSA-N 334.416 1.746 0 40 EDAB O=C1N[C@]2(CCSC2)C(=O)N1C[C@@H](O)COCc1cccs1 71855432 VUSWSQSXUAUEKP-YGRLFVJLSA-N 342.442 1.053 0 40 EDAB C[C@@H](C(=O)NCCCNc1ncccn1)N1CCc2ccccc2C1 71897898 QMGJAJUOFOXZKP-HNNXBMFYSA-N 339.443 1.842 0 40 EDAB Cn1c(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc(=O)n(C)c1=O 71822594 SMELWPLNRQFZQW-KRWDZBQOSA-N 343.427 1.265 0 40 EDAB O=C(NCCNC(=O)C1CCCCC1)c1nnc2ccccc2c1O 71897903 NKRQTCGJORSYHC-UHFFFAOYSA-N 342.399 1.762 0 40 EDAB O=C1NCCN1[C@@H]1CCCN(CCCOc2ccc3c(c2)OCO3)C1 71841091 HBZATSZYNLTAOB-CQSZACIVSA-N 347.415 1.674 0 40 EDAB C[C@H](O)CN1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 71877417 LHKQVGOYWOPSKS-GJZGRUSLSA-N 337.439 1.344 0 40 EDAB Cc1cc(C)cc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 67557315 KAWVGECQFCFDTL-CYBMUJFWSA-N 325.434 1.849 0 40 EDAB CC(C)CNC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 7346158 RJCNLIPQFUNGEJ-UHFFFAOYSA-N 334.445 1.678 0 40 EDAB Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c(=O)[nH]1 71900083 OTQNEEVUXCFZKQ-ZDUSSCGKSA-N 343.358 1.666 0 40 EDAB O=C(N[C@H](c1nnn(C[C@H]2CCCO2)n1)C1CC1)c1ccccc1 71910999 JAMVURJUVMCFEK-CABCVRRESA-N 327.388 1.733 0 40 EDAB Cc1sc2ncnc(N3CCN(S(C)(=O)=O)CC3)c2c1C 16738340 YFBYGBRUNOXKQK-UHFFFAOYSA-N 326.447 1.390 0 40 EDAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)NC[C@@H]1CCCO1 8265506 ZCXZEOOQJIWMRI-JQWIXIFHSA-N 325.438 1.564 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N1CCCc3ccccc31)CC2 70008518 NBKFVAQPIRDBOB-HNNXBMFYSA-N 325.416 1.470 0 40 EDAB Cc1ccc(S(=O)(=O)NC(=O)[C@H](C)OC[C@@H]2CCCCO2)cc1 69342972 KGGPXAKPRCVKJX-KBPBESRZSA-N 341.429 1.774 0 40 EDAB Cc1cc(C)n2cc(CN3CCO[C@H](Cn4cccn4)C3)nc2n1 69391662 VCVJVMJVXSEOHZ-INIZCTEOSA-N 326.404 1.444 0 40 EDAB CCC(=O)N1CSC[C@@H]1C(=O)NCCC(=O)N1CCCCCC1 69457647 YFEJCOAXQYIUSN-CYBMUJFWSA-N 341.477 1.207 0 40 EDAB C[C@H](Cn1cccn1)NCc1nc(-c2ccc3c(c2)OCO3)no1 69437175 NFBTUZMTVHNDOB-LLVKDONJSA-N 327.344 1.840 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)N(C)Cc3ccccc3)CCO2)c1 69492994 XSZBLMWSOIEBQQ-SFHVURJKSA-N 342.443 1.551 0 40 EDAB C[C@H](NC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)NC(C)(C)C 69562518 CXLLBOYZXZTWJU-UWVGGRQHSA-N 348.403 1.831 0 40 EDAB CC(C)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1 69532633 JPLXMHXRCMLQPD-HNNXBMFYSA-N 346.431 1.714 0 40 EDAB COCCOc1ccccc1C(=O)NC[C@H](C)N1CCN(C)CC1 69656346 OFCNMWMIJUVAIM-HNNXBMFYSA-N 335.448 1.078 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)Cn1cnc2cc(F)ccc2c1=O 8506919 QDQBKHWVIHVWOR-UHFFFAOYSA-N 329.335 1.525 0 40 EDAB COC(=O)N1CCC[C@@H](NC(=O)NC[C@H]2CCCN(C(C)C)C2)C1 69703953 IJVSXVDNYQXMOE-HUUCEWRRSA-N 340.468 1.637 0 40 EDAB CCn1nc(C)c(C(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)c1C 69771569 ITICPJDQRDZOHT-HNNXBMFYSA-N 336.480 1.685 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)c1C 84041493 KCPGFKIPEWCVEJ-CYBMUJFWSA-N 340.445 1.496 0 40 EDAB COCCn1nc(C(=O)NC2(C(F)(F)F)CCCCC2)ccc1=O 69879698 SXZYQAMBMPFLOI-UHFFFAOYSA-N 347.337 1.885 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 69973834 VXRZHLCIHZFKEP-HNNXBMFYSA-N 334.416 1.377 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(C[C@H](C)O)CC1 69951280 VXPVVNKEMAJQGG-AWEZNQCLSA-N 336.480 1.223 0 40 EDAB Cc1ccc(Cn2cccc(NC(=O)C(=O)N[C@H]3C[C@H]3C)c2=O)cc1 95973992 ZDAOMPXFTISKPG-CJNGLKHVSA-N 339.395 1.668 0 40 EDAB CC(C)(C)c1nc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)no1 97059094 RBLRIYSCTGLCOD-CQSZACIVSA-N 343.431 1.716 0 40 EDAB O=C(NCC[S@](=O)c1ccccc1F)N1CCOC[C@H]1C1CC1 97022351 UJOFJZFPRINOHN-LFVRLGFBSA-N 340.420 1.754 0 40 EDAB C[C@@H]1CCCCN1CCNC(=O)N1CCC(OCCN(C)C)CC1 72280933 RNRPBWFANNYQSM-MRXNPFEDSA-N 340.512 1.613 0 40 EDAB O=C1NC(=O)[C@]2(CCN(C(=O)C3(c4cccc(F)c4)CCCC3)C2)N1 72290659 FUIPRWUVMIWMSA-GOSISDBHSA-N 345.374 1.448 0 40 EDAB COc1ccccc1COC[C@H](O)CN[C@H]1CCc2nc(C)nn2C1 72254069 UXSGLMRJFBOOIG-JKSUJKDBSA-N 346.431 1.077 0 40 EDAB CN([C@@H]1CCOC1)S(=O)(=O)c1ccc(Br)cc1F 97163114 JQAANQJXHGQJRM-SECBINFHSA-N 338.198 1.998 0 40 EDAB Cc1cc(C)c(CCNC(=O)C(C)(C)NS(C)(=O)=O)c(C)c1 89568706 PDRHJJDXLJITGU-UHFFFAOYSA-N 326.462 1.598 0 40 EDAB CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1 75128334 MLACVOKHCHCYCZ-UHFFFAOYSA-N 340.426 1.984 0 40 EDAB COc1ccc(-n2ccc(C(=O)Nc3cnccc3C(N)=O)n2)cc1 75148001 HFIFJQXSTGBCER-UHFFFAOYSA-N 337.339 1.627 0 40 EDAB O=C1CCN(C(=O)NC[C@H]2C[C@@]23CCCc2ccccc23)CCN1 89858223 FIDZFAVCYKGLOM-BEFAXECRSA-N 327.428 1.812 0 40 EDAB C[C@H]1CN(c2ccc(C(=O)N3CCN(C)C[C@@H]3C)cn2)C[C@@H](C)O1 89938570 YPUHDGQCGGALTE-SOUVJXGZSA-N 332.448 1.471 0 40 EDAB CC(C)=CC(=O)N1CCN(CC(=O)N2CCOc3ccccc32)CC1 75612139 RTMKEZIFWRJLCF-UHFFFAOYSA-N 343.427 1.522 0 40 EDAB CCOC(=O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)ccc1Cl 409048130 QIOWDEXBFFZXPN-AAVRWANBSA-N 347.754 1.960 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(CCO)CC2)c(C)c(C)c1C 28251805 DYKYBUMCHRIOTQ-UHFFFAOYSA-N 326.462 1.219 0 40 EDAB Fc1cnc(N2Cc3ccnn3C[C@@H](CN3CCCCC3)C2)nc1 306133615 MQXMHWWZKPLCTO-AWEZNQCLSA-N 330.411 1.935 0 40 EDAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cccn3C)C2=O)c1 409103215 FXHWSIMNAYEMRT-GDNBJRDFSA-N 338.367 1.865 0 40 EDAB COCCN1C(=O)S/C(=C/c2ccc(OCC(N)=O)cc2)C1=O 409141708 IQYGGEQKNJMXOB-XYOKQWHBSA-N 336.369 1.233 0 40 EDAB Cn1c(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)n[nH]c1=S 67049999 ASKHDUVZJPFUPV-HNNXBMFYSA-N 332.385 1.266 0 40 EDAB CC[C@H](C(N)=O)N1CCC(NC(=O)[C@H]2Cc3ccc(Cl)cc32)CC1 1004070102 FQEPAKWPIOEFSV-JKSUJKDBSA-N 349.862 1.824 0 40 EDAB Cn1c(NCCCN2CCC[C@H](O)C2)nc2cc(C(=O)O)ccc21 1506399134 KLPNDLKMDVWAIL-ZDUSSCGKSA-N 332.404 1.530 0 40 EDAB CO[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CCO1 521394018 YZCOKCNOYLVBEV-NSHDSACASA-N 336.207 1.443 0 40 EDAB COc1cccc([C@@H]2CN(Cc3cnc(C(=O)O)cn3)CCO2)c1 530161385 IICUKXGHPKLNKM-INIZCTEOSA-N 329.356 1.757 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N[C@H](CCSC)C(=O)O)c1 35686141 XTEAHTVUHGSREL-SNVBAGLBSA-N 349.430 1.188 0 40 EDAB O=C1CO[C@H](c2ccc(NC(=O)c3ccccc3)cc2)[C@@H](CO)N1 72321049 DZEAKHPZBLRRSP-NVXWUHKLSA-N 326.352 1.487 0 40 EDAB biogenic,in-vitro CC(C)NC(=O)CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 72327536 YNGZZUUIIGJBIF-IBGZPJMESA-N 344.411 1.928 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1cccc(OCCN(C)C)c1 78394485 SWGWIRYBSDCKCS-UHFFFAOYSA-N 330.432 1.907 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC2(COC(C)(C)OC2)C1 70971834 UKCCIHOPJFLFFG-WFASDCNBSA-N 333.384 1.826 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1N1CCN(C)CC1 78440241 GMMWJTFJQZXZLP-GOSISDBHSA-N 344.459 1.066 0 40 EDAB COCCNC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 78441804 VXEDJZLCSPYCBI-GFCCVEGCSA-N 327.375 1.999 0 40 EDAB Cn1c(=O)[nH]cc(C(=O)N2CCC(Cc3ccccc3)CC2)c1=O 75172458 MFGSXGLKKVMXEU-UHFFFAOYSA-N 327.384 1.169 0 40 EDAB CN1C(=O)C[C@@H](CNc2nc3ccccc3o2)[C@@H]1c1nccn1C 566690755 YXMUKFZIMJAOTI-XHDPSFHLSA-N 325.372 2.193 0 40 EDAB CO[C@H](C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1 78986843 BXGVSMYBEUSXRS-NEPJUHHUSA-N 330.306 1.654 0 40 EDAB O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCN(Cc2cccnc2)C1 564477612 NHYDGEYBRZRFJX-HZPDHXFCSA-N 339.443 1.690 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[C@@H](Oc2cccnn2)C1 225410957 YYOZVWYXXUXODE-YVARQFDVSA-N 339.351 1.898 0 40 EDAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1 63817326 LKKOFEIJISBLBE-LBPRGKRZSA-N 335.404 1.752 0 40 EDAB COc1ccccc1C(=O)Nc1cnc(N2CCN(C)CC2)nc1 224251753 WIFAHYBFHDQJRS-UHFFFAOYSA-N 327.388 1.489 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1cnn(C)c1C(F)F 195530675 WGSYYGFXYNPKSV-HLFFCZDVSA-N 327.331 1.675 0 40 EDAB O=c1cc(CN2CCN(CCO)CC2)c2cc(Cl)c(O)cc2o1 19371380 FHMPGFYGLIFXQW-UHFFFAOYSA-N 338.791 1.262 0 40 EDAB biogenic C[C@H]1OCC[C@@H]1S(=O)(=O)N(CCN(C)C)Cc1cccs1 190241808 HPKQRXVQRDFIJA-OCCSQVGLSA-N 332.491 1.619 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(-c2cccs2)n[nH]1 42383714 NMGQFNOBLFXRNT-VIFPVBQESA-N 325.415 1.303 0 40 EDAB O[C@]1(Cn2ccnn2)CCCN(c2nc(C3CCCC3)ns2)C1 575603575 GJLCXCNJRGBFBU-OAHLLOKOSA-N 334.449 1.819 0 40 EDAB CCN1CCN(C(=O)N[C@H](C)[C@H]2CCCO2)C[C@H]1c1nccn1C 583621972 VCOIEHHBWSTAAV-QLFBSQMISA-N 335.452 1.376 0 40 EDAB CC(C)[C@H](C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1)N1CCCCC1 332310650 KGBWLEQEVPOEJD-HZPDHXFCSA-N 344.521 1.923 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2ccccc2OC[C@H]2CCCO2)CCO1 583650607 QCOAXKWBQJSVHP-DOMZBBRYSA-N 335.356 1.170 0 40 EDAB O=C(C[C@@H]1OC[C@H]2CN(CC3CC3)CC[C@@H]12)NCc1cccnc1 96208374 VCANFGFCAQOULE-KURKYZTESA-N 329.444 1.835 0 40 EDAB Cc1ccc(CCNC(=O)N2C[C@H](C)S(=O)(=O)[C@H](C)C2)nc1 333543593 SLXOWRSDYHFASJ-BETUJISGSA-N 325.434 1.150 0 40 EDAB C[C@@H](CNC(=O)c1c(O)cc(F)cc1F)CN1CCN(C)CC1 96449129 BMHQBSHVBLXUKO-NSHDSACASA-N 327.375 1.284 0 40 EDAB CO[C@@H]1CCN(Cc2cnn(C)c2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 96108574 IGLXPIPNUNXQAD-IPMKNSEASA-N 341.459 1.536 0 40 EDAB c1ccc(CN2CCC[C@@]3(COCCN(c4cnccn4)C3)C2)nc1 96049639 RYGMTSDAGPYEOW-LJQANCHMSA-N 339.443 1.991 0 40 EDAB COc1ccc(CN2CCO[C@]3(COCCN(C(C)=O)C3)C2)cc1 96049910 ULBCIVWUDQTCQP-GOSISDBHSA-N 334.416 1.145 0 40 EDAB CN1Cc2ccccc2CC2(CCN(S(=O)(=O)C3CC3)CC2)C1=O 96063614 ZVDVYOKWUXJBOZ-UHFFFAOYSA-N 348.468 1.776 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@]3(CCCN3S(C)(=O)=O)C2)cn1 96071508 ITMSUZFCEXBIAJ-INIZCTEOSA-N 337.445 1.420 0 40 EDAB Cn1nnc2c1[C@H](COCC1CC1)CN(C(=O)c1cscn1)C2 96198588 LTUVCYGRCHLQDQ-NSHDSACASA-N 333.417 1.438 0 40 EDAB O=C(NC1CCN(c2cccc(F)c2)CC1)[C@@H]1CCS(=O)(=O)C1 96413877 HXPLHHVQLUOVFF-GFCCVEGCSA-N 340.420 1.345 0 40 EDAB C[C@H]1CC[C@@H](C)N1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 95411858 KCHARFHGXYTRHR-AOOOYVTPSA-N 328.372 1.433 0 40 EDAB CNS(=O)(=O)CCCN(C)Cc1ccccc1N1CCCC1 96407704 SRHKWXIGXBXSTO-UHFFFAOYSA-N 325.478 1.658 0 40 EDAB C[C@H]1N(CCN(C)C)C(=O)COC12CCN(C(=O)c1ccoc1)CC2 96201534 APNDJRRRQDZEEG-CQSZACIVSA-N 349.431 1.063 0 40 EDAB CC[C@@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1nc(C)n[nH]1 96475081 RDKLQLSRBQOIFL-CYBMUJFWSA-N 325.376 1.639 0 40 EDAB O=C([C@H]1CCCO1)N1CCc2onc(COc3ccccn3)c2C1 96260024 PGPNFFZOPICUPX-OAHLLOKOSA-N 329.356 1.712 0 40 EDAB Cc1ccc2c(n1)N(CCN(C)C)CCN(C(=O)c1cscn1)C2 96199015 LSFRYYRKHTXDBC-UHFFFAOYSA-N 345.472 1.871 0 40 EDAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1ccsc1)C2 96215177 LFZKENDNAWAXGU-AWEZNQCLSA-N 328.459 1.778 0 40 EDAB COCCO[C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1Cc1ccncc1 96200767 ABAQUDLNJISWKZ-IKGGRYGDSA-N 334.416 1.293 0 40 EDAB O=C1NC2(CCN(C(=O)c3ccoc3)CC2)C[C@H]1c1ccncc1 96199549 WHGGBEIRGNFHIA-HNNXBMFYSA-N 325.368 1.953 0 40 EDAB CN(C)C(=O)CN1CC2(C[C@H](OCC3CCOCC3)CS2)C1 247941555 AFORUXZAZPGLCO-AWEZNQCLSA-N 328.478 1.078 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CCc2cnccn2)cc1 257253744 KABVZBKJLLFIBE-INIZCTEOSA-N 347.440 1.807 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)c2ccc(C)nc2)n1 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1615549953 OQQDUTOIKYKJNX-OFQRWUPVSA-N 342.461 1.761 0 40 EDAB Cc1ccc(N2CCC[C@H](NC(=O)c3cnn4ccccc34)C2)nn1 605550679 QCJFZRYVUBNYND-AWEZNQCLSA-N 336.399 1.832 0 40 EDAB NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)c3cnsn3)cc2)C1 299542739 AEXKQRYWVJULJU-LBPRGKRZSA-N 345.428 1.488 0 40 EDAB Cc1cc(NC(=O)C(=O)NCc2ccc(-c3ccoc3)cc2)no1 390830042 IKJAODUWQAXFEU-UHFFFAOYSA-N 325.324 2.498 0 40 EDAB CC(=O)c1sc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)nc1C 575424145 SSUIFAYZDNUPIZ-VIFPVBQESA-N 331.419 1.210 0 40 EDAB O=C(NC[C@H]1CO[C@@H]2CN(C(=O)C3CC(F)C3)C[C@H]12)c1cccnc1 575406387 XJQNJYWLEKNGEG-VQPKISINSA-N 347.390 1.033 0 40 EDAB COCCN1CC2(CCN(C(=O)C3(F)CCC3)CC2)C[C@@H]1COC 585103344 CEVDTPKJSPBXAT-OAHLLOKOSA-N 342.455 1.855 0 40 EDAB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2cnsn2)CC1 585148787 IFHVIYAGYSZVSW-ZDUSSCGKSA-N 332.385 1.027 0 40 EDAB C[C@@H]1CN(CCS(=O)(=O)CC(=O)O)CCc2ccc(F)cc21 844839697 SDJPKYUSWOZRGB-LLVKDONJSA-N 329.393 1.287 0 40 EDAB Cc1cccc(OCCNC(=O)CN[C@](C)(CO)c2ccccc2)c1 69653955 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CCS(=O)(=O)N1CCc2cc(C(=O)NCc3ccco3)ccc21 13610129 DVNRNWHXMYXDGJ-UHFFFAOYSA-N 334.397 1.922 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)CNc1nc(Cl)nc2[nH]cnc12 13655791 OQDZBPKIKBEMNJ-SECBINFHSA-N 337.815 1.019 0 40 EDAB Cc1cc(N2C(=O)C[C@@H](N3CCN(C4CCCCC4)CC3)C2=O)no1 19874351 FQMBNYPEWLVJKB-OAHLLOKOSA-N 346.431 1.565 0 40 EDAB O=C(O[C@@H]1CCOC1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390831296 RCDGUGIPTHLLPS-CABCVRRESA-N 339.413 1.774 0 40 EDAB Cc1ccc(N2C[C@@H]3CN(C(=O)Cc4c(C)noc4C)C[C@H]3C2)nn1 1888863492 CPHSPRMSHAGTCY-HUUCEWRRSA-N 341.415 1.527 0 40 EDAB COc1ccnc(N2C[C@@H]3CN(c4ncnc5cnccc45)C[C@@H]3C2)n1 1888879522 FSSRCIRYXVDVRW-BETUJISGSA-N 349.398 1.396 0 40 EDAB CSc1ncc(C)c(N2CCN(c3ccc4nncn4n3)CC2)n1 1888888131 AXTKAXFTASOEOU-UHFFFAOYSA-N 342.432 1.271 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(c3ncnc4c3CCC4)CC2)n1 1889084242 RDLZIWMHOZNLSR-UHFFFAOYSA-N 339.447 1.456 0 40 EDAB Cc1cnn(CC2CN(c3ncnc4c3nnn4-c3ccccc3)C2)c1 1889221319 XDKDSNSGCLZQBW-UHFFFAOYSA-N 346.398 1.852 0 40 EDAB Cn1ccc(NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)n1 14899717 SGFNGWUEQNAGKJ-UHFFFAOYSA-N 325.328 1.834 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)C2)n1 2037905634 TVMIFBQACVNGGF-QGZVFWFLSA-N 333.363 1.605 0 40 EDAB CCc1ccc(C(=O)N2CC[C@@]3(C2)Cn2ccnc2CN3C)cn1 1614941040 DSMMCMBTFOPREC-SFHVURJKSA-N 325.416 1.571 0 40 EDAB CCc1cnc(N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)nc1 2086939614 OSXQJBURCWAOMZ-STQMWFEESA-N 344.394 1.555 0 40 EDAB COc1ccc(CN2CCN(c3ncnc4[nH]cnc34)C[C@@H]2C)cn1 2087043328 OOLWIMHFNBFNEQ-LBPRGKRZSA-N 339.403 1.467 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc2c(c1)OCO2 10255711 RHVDCKBLESTCSK-LYASGUKUSA-N 336.347 1.872 0 40 EDAB CCc1ccc(S(=O)(=O)N2CC(N3C(=O)CSC3=O)C2)s1 206955864 NHMDWWRUZGPPOD-UHFFFAOYSA-N 346.455 1.379 0 40 EDAB Cn1cc(-c2nccnc2CNC(=O)[C@H]2CCc3ccccc3O2)cn1 575620239 RGEICXWRVWCOFJ-QGZVFWFLSA-N 349.394 1.887 0 40 EDAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)N1CCN(c2ccccc2O)CC1 585149838 SZUMQTUBLJZQNL-CJNGLKHVSA-N 345.443 1.449 0 40 EDAB O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1ccc2c(c1)OCO2 225803561 DYSSOKQQQCIPIJ-UHFFFAOYSA-N 340.295 1.084 0 40 EDAB CCOC(=O)[C@@H](CC)n1cnc2c(nnn2-c2ccc(F)cc2)c1=O 4139899 DSFNJUPVAOWDTM-GFCCVEGCSA-N 345.334 1.631 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N2CCCc3ccccc32)on1 40496842 FTBFVHRPTDGXCN-UHFFFAOYSA-N 334.397 1.877 0 40 EDAB CC(=O)N1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 40510352 YGJJRUOWBDONDU-UHFFFAOYSA-N 333.779 1.225 0 40 EDAB O=C(CN1CCC(NC(=O)CCc2ccccc2)CC1)NCC1CC1 40540473 WUQUVQZVLWICOL-UHFFFAOYSA-N 343.471 1.726 0 40 EDAB O=C(NCCN1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 20509119 ZZPCVCGQCFSQHR-UHFFFAOYSA-N 337.423 1.874 0 40 EDAB CC(C)(CNS(=O)(=O)c1ccnc(Cl)c1)N1CCOCC1 40799841 PNXUCBBOCYJHDX-UHFFFAOYSA-N 333.841 1.124 0 40 EDAB COc1ccccc1[C@H](O)CNC(=O)NCc1cccnc1N(C)C 41441283 BKBHSQBPBHBQPB-OAHLLOKOSA-N 344.415 1.689 0 40 EDAB O=C(COC(=O)c1cn(Cc2ccccc2)nn1)NC1CCCCC1 23349628 PIHBGVAADOZQKL-UHFFFAOYSA-N 342.399 1.932 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)NCCNC(C)=O)c(OC)c1 43141273 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EDAB CC(C)c1csc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)n1 10635415 NTAJSSYEEFOWGF-UHFFFAOYSA-N 344.396 1.908 0 40 EDAB NC(=O)Nc1cccc(C(=O)N2CCC(CN3CCOCC3)CC2)c1 36398244 XICVGLCSVSLOCA-UHFFFAOYSA-N 346.431 1.362 0 40 EDAB CC(=O)c1c[nH]c(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1 10997708 AWXPJVVMAPXQBP-ZDUSSCGKSA-N 332.381 1.866 0 40 EDAB O=C(Cc1ccc2c(c1)CCO2)N1CCN(c2nccs2)CC1 11188231 LBJIOVMYCFYHCO-UHFFFAOYSA-N 329.425 1.969 0 40 EDAB CCN1C(=O)C[C@H](N(C)CC(=O)Nc2c(C)cc(C)cc2C)C1=O 28894801 HHHIIJMQHLQURU-AWEZNQCLSA-N 331.416 1.630 0 40 EDAB CC[C@@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 11403030 MKFNFFGMBZGKEM-ZDUSSCGKSA-N 339.399 1.440 0 40 EDAB COc1cc(OC)cc(C(=O)N2CCN(c3cnccn3)CC2)c1 11544138 XOWUYLDIXZXWDZ-UHFFFAOYSA-N 328.372 1.456 0 40 EDAB Cc1cc(S(=O)(=O)N(CCO)CCO)c(Cl)cc1Cl 11566243 ZKUMUBKKMRYZHZ-UHFFFAOYSA-N 328.217 1.277 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccccc2F)C1 57318954 UBRKQXUIEDDVTG-UKRRQHHQSA-N 336.407 1.758 0 40 EDAB O=C(NCCCn1cncn1)N[C@@H]1CCN(Cc2ccccc2)C1 47965740 BRKJEGXJJSBQCR-MRXNPFEDSA-N 328.420 1.242 0 40 EDAB COc1ccccc1CNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 2631132 WUVSSAVMHJZHLP-UHFFFAOYSA-N 339.351 1.015 0 40 EDAB COc1ccc(C(=O)OCC(=O)NCc2ccco2)c(OC)c1OC 3219250 LVZHQIUBNPWMSK-UHFFFAOYSA-N 349.339 1.779 0 40 EDAB O=c1c(Cl)c(N2CCNCC2)cnn1-c1nc2ccccc2[nH]1 3269639 SWAROFJCANVOKM-UHFFFAOYSA-N 330.779 1.172 0 40 EDAB CNc1cc(N2CCC[C@H]2CNC(=O)N2CCCO[C@H](C)C2)ncn1 173416935 OYHZPHAMGYFJTN-KGLIPLIRSA-N 348.451 1.308 0 40 EDAB Cc1nc2ccccc2n(CC(=O)NCCc2nccs2)c1=O 95473788 GQRATXWGVVVRDB-UHFFFAOYSA-N 328.397 1.520 0 40 EDAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NC[C@@H]1CCOC1 48286986 WZPYOWZOBGPEPT-OLZOCXBDSA-N 340.445 1.829 0 40 EDAB CC(C)(C)CNC(=O)c1ccc(C(=O)NCCc2ncon2)cc1 72295687 MQTJYZBEVRAKME-UHFFFAOYSA-N 330.388 1.818 0 40 EDAB CCCNC(=O)CN(C)C(=O)c1ccc(NC(=O)NC(C)C)cc1 48368730 IEMROCFVJJISDL-UHFFFAOYSA-N 334.420 1.815 0 40 EDAB O=C1CCc2cc(C(=O)N3CCN(c4nccs4)CC3)ccc2N1 12883997 YWMYHXFRUXIJGP-UHFFFAOYSA-N 342.424 1.990 0 40 EDAB CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc(Br)cc1 20236970 GUZFDSJHAUGHHH-UHFFFAOYSA-N 347.234 1.494 0 40 EDAB Cc1nc([C@@H]2CCCN2CC(=O)NC[C@@H]2Cc3ccccc3O2)no1 84280841 HKCQOUKFXAETJC-GJZGRUSLSA-N 342.399 1.635 0 40 EDAB CC(=O)NCCNS(=O)(=O)c1ccc(Br)cc1F 97163102 LLDXUORJWGMKGR-UHFFFAOYSA-N 339.186 1.003 0 40 EDAB COc1cccc(-c2n[nH]cc2CNCCc2nnc3n2CCC3)c1 62639869 WFXAOGNTLDYZBD-UHFFFAOYSA-N 338.415 1.955 0 40 EDAB CCOC(=O)c1c(C)n[nH]c1NC(=O)Cc1ccccc1C(=O)O 71289027 IIUHHALQLXZRIF-UHFFFAOYSA-N 331.328 1.774 0 40 EDAB CCC(CC)NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 9157766 JDGKMODVPAMKOC-LLVKDONJSA-N 339.461 1.390 0 40 EDAB O=C(NCCCN1CCOCC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 39918308 FXXZLMCKPKLPSH-CQSZACIVSA-N 349.406 1.017 0 40 EDAB CC(=O)N1C[C@@H](C(=O)N[C@H]2CCc3nccn3C2)Oc2ccccc21 65474104 IUELXAWTSQTHKD-BBRMVZONSA-N 340.383 1.128 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)Nc1ccc(F)c(C(N)=O)c1 65408623 AGDUMSSLYBSCND-UHFFFAOYSA-N 340.355 1.571 0 40 EDAB COC(=O)c1cccc(C(=O)N(C)CC(=O)Nc2cccc(C)n2)c1 65501470 SDHWJURUUVRDKA-UHFFFAOYSA-N 341.367 1.887 0 40 EDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1=NNC(=O)CC1 65563120 WZBZAAKIDWPRJD-LLVKDONJSA-N 326.360 1.053 0 40 EDAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@H](n2cccn2)C1 65614891 NIFOMUJCGSJTDS-HNNXBMFYSA-N 337.387 1.400 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 14199950 BQJJZICPKJRGHV-LSDHHAIUSA-N 338.496 1.807 0 40 EDAB Cc1c(C(=O)O)sc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 6760641 HJOIQFMNHBXJTE-UHFFFAOYSA-N 330.365 1.817 0 40 EDAB O=C([C@H]1CCCCN1C(=O)/C=C\c1ccccc1)N1CCOCC1 96292621 DJQRHBALLDCSRU-DOOKAGJSSA-N 328.412 1.940 0 40 EDAB C[C@@H](NC(=O)N1CCN(c2nsc3ccccc23)CC1)C(=O)O 80329450 ATYYWDHRCUNUJL-SNVBAGLBSA-N 334.401 1.601 0 40 EDAB COC(=O)c1ccccc1NC(=O)Cn1cnc2sccc2c1=O 7495027 DSHGQJPESFQMIB-UHFFFAOYSA-N 343.364 1.883 0 40 EDAB C[C@H](O)CN1CCN(C(=O)[C@@H](c2ccccc2)N2CCCC2)CC1 71875839 MYZOZYSLZRDLOX-FUHWJXTLSA-N 331.460 1.349 0 40 EDAB C[C@H](C(=O)N(C)Cc1ccccc1)N1CCO[C@H](Cn2cncn2)C1 71876497 ABMZJDBZRDJLSM-WBVHZDCISA-N 343.431 1.026 0 40 EDAB Cc1nn(C)cc1[C@H](C)NC(=O)NCCC(=O)N1CCCCCC1 69307188 DYEJQXYSDXDOAY-ZDUSSCGKSA-N 335.452 1.881 0 40 EDAB O=S(=O)(CCCN1CCCC[C@H]1Cn1cncn1)c1ccccc1 71876399 NWCVEMOCGLSQNL-INIZCTEOSA-N 348.472 1.997 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccc(OC)cc2)n[nH]1 8476270 CWKFSHBTPJJCQD-VIFPVBQESA-N 349.416 1.807 0 40 EDAB COC(=O)CN(CCN1CCOCC1)Cc1cccc2cccnc12 69599388 PNIXKXCWVDRPIB-UHFFFAOYSA-N 343.427 1.542 0 40 EDAB CS[C@@H](C)C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 69521493 PRPFGSBFFKSBFI-NSHDSACASA-N 332.429 1.599 0 40 EDAB COc1cccc2c(C)c(C(=O)N[C@@H](C)C(=O)N3CCOCC3)oc12 69776024 OOCKDLAQBBKFKF-LBPRGKRZSA-N 346.383 1.727 0 40 EDAB CCN(C[C@H]1CCCO1)S(=O)(=O)Cc1cccc(C(=O)OC)c1 69700522 UMKVOWVBKDYLDP-OAHLLOKOSA-N 341.429 1.804 0 40 EDAB O=C(CN[C@H]1CCCN(c2cccnn2)C1)NCc1ccccc1F 69779972 DVKDKWIZJMXTHG-HNNXBMFYSA-N 343.406 1.491 0 40 EDAB COc1ccc(-c2nc(CNC(=O)c3ccc(=O)[nH]c3)n[nH]2)cc1 69774369 NCCMUQULKCEKQV-UHFFFAOYSA-N 325.328 1.099 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2cc(CC)c(C)s2)CC1 69879855 BCHNMXRONMVRTK-OAHLLOKOSA-N 340.489 1.774 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC(C)(C)C)C2=O)cc1 8734690 FSMCTDKABXCJAU-QGZVFWFLSA-N 333.388 1.377 0 40 EDAB C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 8987509 CQZNESIHWXTPSF-PSASIEDQSA-N 334.800 1.583 0 40 EDAB COc1ccc(CCC(=O)NN2CCCNC2=O)c(OC)c1OC 95467325 HKPFWMWJJSVJBT-UHFFFAOYSA-N 337.376 1.092 0 40 EDAB C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCO[C@H](c2ccccc2)C1 74159477 NNVOATCAAJIVET-PVAVHDDUSA-N 345.443 1.172 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 95982598 UYHGJQCGQUDPLQ-GFCCVEGCSA-N 340.474 1.652 0 40 EDAB CN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 95939435 QMEQRNYOPLSDFQ-OLZOCXBDSA-N 337.386 1.816 0 40 EDAB CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CCN(C[C@@H]2CCCO2)C1 89893600 WWBPFUJERVUPPK-GJZGRUSLSA-N 336.436 1.795 0 40 EDAB C[C@@H](C1CC1)N(C(=O)Cn1c(-c2ccccn2)noc1=O)C1CC1 89894174 BOQCITGOOBADCU-NSHDSACASA-N 328.372 1.688 0 40 EDAB Cc1ccc(N2CC[C@@H](N3CCO[C@H](c4nc(C)n[nH]4)C3)C2=O)cc1 76048342 BMLDMNAKFOKZAB-CVEARBPZSA-N 341.415 1.600 0 40 EDAB C[C@H]1CN(Cc2csc(NC(=O)Cc3ccon3)n2)C[C@@H](C)O1 76302562 ANTFSTIGMRZMPT-PHIMTYICSA-N 336.417 1.922 0 40 EDAB O=C(NCC[C@H]1CN(C2CCCC2)Cc2ccnn21)c1cnccn1 306138187 RSBFXJXWWQCAAL-HNNXBMFYSA-N 340.431 1.793 0 40 EDAB COC(=O)C(=Cc1cc(Cl)ccc1OCC(=O)O)C(=O)OC 409049504 XGINAHNMWWJICD-UHFFFAOYSA-N 328.704 1.533 0 40 EDAB Cc1ccccc1S(=O)(=O)NC[C@H]1CCN(Cc2cnn(C)c2)C1 67604293 LRGHQMHFRWQPOW-OAHLLOKOSA-N 348.472 1.529 0 40 EDAB CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)NC1=S 409007114 NWAAEGBETZMXPY-POHAHGRESA-N 336.369 1.236 0 40 EDAB CNC(=O)CCc1cc(C)nc([C@@H]2CCCN2c2ncccn2)n1 72367016 SBIZNAGIRGHDJF-AWEZNQCLSA-N 326.404 1.595 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2cccc(-n3cccn3)c2)C1 76374191 ABYJJKHGBJBJCB-GDBMZVCRSA-N 347.440 1.958 0 40 EDAB COc1ccc(CNC(=O)c2cc(-n3cnnn3)ccc2F)cc1 79495381 OLSPFHPYJSJYDT-UHFFFAOYSA-N 327.319 1.740 0 40 EDAB COc1ccc(C(=O)[C@H](NC[C@@H](C)O)c2oc(C)cc(=O)c2O)cc1 1547138759 GHAMGQBWTSTATQ-BMIGLBTASA-N 347.367 1.557 0 40 EDAB biogenic CNC(=O)c1cccc([C@H]2CN(c3ncccn3)CCN2C(C)=O)c1 72367612 ZOHALOFHYGWHBB-MRXNPFEDSA-N 339.399 1.246 0 40 EDAB Cc1ccc(CN(C(=O)CN2CCCN(C(N)=O)CC2)C2CC2)o1 75684433 SYZCDNWDWRTKBC-UHFFFAOYSA-N 334.420 1.165 0 40 EDAB Cc1nonc1CC(=O)N[C@@H](Cn1c(=O)oc2ccccc21)C(C)C 72324353 HENWFTKWXOPQFO-ZDUSSCGKSA-N 344.371 1.669 0 40 EDAB CCN(C(=O)NCc1ccc(C)nc1OC)[C@@H](C)CS(C)(=O)=O 79036338 CDXQKYKXXHAWQS-LBPRGKRZSA-N 343.449 1.363 0 40 EDAB CCOCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1 72241750 UBEGWSCWENJQBS-CVEARBPZSA-N 338.379 1.267 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@@H](CN)C[C@H]2C)c2cccnc12 563121547 LCHCEHFOINXLPS-VXGBXAGGSA-N 335.429 1.601 0 40 EDAB CC(C)[C@H](N)C(=O)N1CCC[C@H]1CNC(=O)OCc1ccccc1 79413145 AKKLOIKWYLJFON-HOTGVXAUSA-N 333.432 1.887 0 40 EDAB CCS(=O)(=O)N1CCN(CCCc2cccc(OC)c2)CC1 41345875 AKNYLSXIIISBRU-UHFFFAOYSA-N 326.462 1.595 0 40 EDAB Cc1cccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)c1 224154359 MQPJYTLQLBNSIY-UHFFFAOYSA-N 332.429 1.864 0 40 EDAB Cn1nc2c(cc1=O)C[C@@H](NC(=O)c1cc(Cl)ccc1F)CC2 225788780 DMQFNBJDISOZKN-NSHDSACASA-N 335.766 1.860 0 40 EDAB COCCn1cc(CN[C@@H](C(=O)O)c2ccc(F)cc2F)cn1 569115785 YCFPTIBKUWOXQC-CQSZACIVSA-N 325.315 1.723 0 40 EDAB Cc1ccc(C(=O)N2CCN(c3nccn4c(C)nnc34)CC2)s1 225799750 RHFYPONXNPITLB-UHFFFAOYSA-N 342.428 1.765 0 40 EDAB C[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1cc(-c2ccccc2)on1 81434156 GCAZJTQXYOKOMV-GFCCVEGCSA-N 334.397 1.530 0 40 EDAB C[C@H](NC(=O)C(F)(F)Cl)C(=O)Nc1ccc(-n2cncn2)cc1 195570569 FTKRVFJWEOLHIE-QMMMGPOBSA-N 343.721 1.542 0 40 EDAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ncc[nH]2)C3)cc1 96269390 VBCOSCAAPUYGOB-HNNXBMFYSA-N 339.399 1.970 0 40 EDAB biogenic,in-vitro O=C1[C@H]2CN[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 96300475 JDMJJGKWPZNOCL-ZSOFBXJNSA-N 347.374 1.239 0 40 EDAB O=C([C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccccn2)C1)N1CCCCO1 96038940 YHFPYYMCOGKJNV-DJIMGWMZSA-N 331.416 1.615 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(Cc1ccncc1)C2)N1CC(F)(F)C1 96209512 GEHUDMNACHGHJX-ZBFHGGJFSA-N 337.370 1.398 0 40 EDAB CS(=O)(=O)[C@](Cl)(Br)C(=O)c1cccc(N)c1 96518158 VEDJITJHDGQHHA-VIFPVBQESA-N 326.599 1.784 0 40 EDAB CCc1nsc(N2CCN(C(=O)NCCN(C)C(C)C)CC2)n1 96439893 FBJXYWLNPNEEJY-UHFFFAOYSA-N 340.497 1.272 0 40 EDAB O=C(c1[nH]nc2c1CCCC2)N1CCCN(CC(F)(F)F)CC1 96402369 XXTMBZRBUUGSOB-UHFFFAOYSA-N 330.354 1.999 0 40 EDAB CC[C@H](C)NC(=O)Cn1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96183164 NBOMAKLFSOBTAN-LBPRGKRZSA-N 345.399 1.842 0 40 EDAB CN(C)CC[C@H](NC(=O)CS(=O)(=O)C1CCCC1)C(C)(C)C 96407393 FERIPQVBKQCLEB-AWEZNQCLSA-N 332.510 1.826 0 40 EDAB C[C@@H]1CN(C(=O)NCc2cccc(-n3ccnc3)c2)CC[S@](=O)C1 580818843 NTRJGZOVCCOEIT-SHACYNPGSA-N 346.456 1.782 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H](Oc3ccccn3)[C@H]3OCC[C@@H]32)no1 96217600 FCFNWGLLXUNEJR-LZWOXQAQSA-N 329.356 1.829 0 40 EDAB c1cnc(N2CCOC[C@@]3(CCCN(Cc4cc[nH]n4)C3)C2)nc1 96076538 YUDWJZGOVNXLEE-QGZVFWFLSA-N 328.420 1.319 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@]1(COC)C(=O)O 242498639 HKTMNCQMPQOEMH-SCRDCRAPSA-N 332.805 1.958 0 40 EDAB CC(=O)N1CCn2cc(CC(=O)NCCc3cccs3)nc2[C@@H]1C 247900509 ANHSTUHVAYCKLU-LBPRGKRZSA-N 346.456 1.769 0 40 EDAB Cc1nc(CC(=O)NCc2nccnc2C2CCN(C)CC2)cs1 257327283 XAUDJRRKQONVDY-UHFFFAOYSA-N 345.472 1.910 0 40 EDAB CCN1C(=O)C[C@@H](C(=O)NCC(C)(C)CO)[C@@H]1c1ccccc1OC 257250822 JODIMGUVFZWYKE-PBHICJAKSA-N 348.443 1.739 0 40 EDAB CCN1CCC[C@@H]1CNC(=O)c1c(-n2cnnn2)sc(C)c1C 524732957 FWTRVWXQAASWGW-GFCCVEGCSA-N 334.449 1.555 0 40 EDAB Cc1ccc2ncccc2c1S(=O)(=O)N[C@@H]1C(=O)NCC1(C)C 585094229 SLHMBGPCDLQPFW-CQSZACIVSA-N 333.413 1.346 0 40 EDAB Cc1ncc2ccc(C(=O)N[C@@H]3CCCN(c4ccnn4C)C3)cn12 585081191 MHEYQALJVQGNKS-OAHLLOKOSA-N 338.415 1.775 0 40 EDAB Cc1cc(C(=O)N2C[C@@H](O)[C@H](N(C)Cc3ccc(F)cc3)C2)no1 257325524 WTHXQDURXCABEY-HZPDHXFCSA-N 333.363 1.439 0 40 EDAB Cc1ccc(CC(=O)N2C[C@@H](O)[C@H](N3CCC(F)(F)CC3)C2)s1 257246343 ITRCKPFNAFXMAM-ZIAGYGMSSA-N 344.427 1.902 0 40 EDAB Cc1ccc(C(C)(C)C(=O)N2C[C@@H](O)[C@H](N3CCN(C)CC3)C2)cc1 257279593 OHIBEJRRDSNBGN-QZTJIDSGSA-N 345.487 1.092 0 40 EDAB Cc1cc(C)nc(N2CCO[C@H](c3ccc(CCC(N)=O)cn3)C2)n1 257326538 WXOWZJGNJHEOBP-INIZCTEOSA-N 341.415 1.484 0 40 EDAB Cn1nccc1[C@@H](NC(=O)[C@H]1CCOc2c(F)cccc21)C(=O)O 1601032726 HIQUWJKWJBWBOY-GXFFZTMASA-N 333.319 1.367 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 253488780 BTYVPDVWQABQMZ-ZDUSSCGKSA-N 328.459 1.508 0 40 EDAB Cc1nc(=O)n(C2CCCCC2)c(=O)n1NC(=O)Oc1ccccc1 255189470 QAPARECEAQBWHF-UHFFFAOYSA-N 344.371 1.961 0 40 EDAB C[C@@H](NC[C@H]1CCC=CO1)C(=O)Nc1ccc(-n2cncn2)cc1 252483947 FLGOUERNMHIYHA-CZUORRHYSA-N 327.388 1.877 0 40 EDAB CCc1nc([C@H](C)NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)cs1 292353469 QWVQYHCFQFLDMJ-QWRGUYRKSA-N 345.490 1.843 0 40 EDAB CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cn(CCN2CCOCC2)nn1 1615056420 XEJWHDPWUUPGMY-DOTOQJQBSA-N 349.479 1.651 0 40 EDAB CCn1nc(C(=O)NC[C@@H]2OCCc3sc(F)cc32)ccc1=O 1615578528 UOVLJMMLPPSOCQ-NSHDSACASA-N 337.376 1.508 0 40 EDAB Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)CCc2cncnc2)C3)n1 585108638 ZOBJRVWTPXHTRM-RHSMWYFYSA-N 343.387 1.060 0 40 EDAB CCN(C(=O)c1oc2ccc(OC)cc2c1C)[C@@H]1COC[C@@H](O)[C@H]1O 585286314 KLFOAIBMWCLFQX-FMKPAKJESA-N 349.383 1.333 0 40 EDAB Cc1cccc(OC[C@@]2(O)COCCN(Cc3cc(C)on3)C2)c1 585269507 XNHAPZRNKOSEAN-SFHVURJKSA-N 332.400 1.934 0 40 EDAB CCOCC(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 585096020 YLVXITPLDQEXTM-CQSZACIVSA-N 346.387 1.102 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(Cn2cncn2)c1 68546254 XTHDYPOKQNLGNF-OLZOCXBDSA-N 344.419 1.751 0 40 EDAB O=C(NCCCn1cncn1)NC[C@@H]1CCN(c2ccccc2)C1 48342355 FCLDKGVMFGXPCW-HNNXBMFYSA-N 328.420 1.494 0 40 EDAB Cn1cnc(S(=O)(=O)N[C@H]2CCCOc3ccc(F)cc32)c1 590066566 BAJBBCKKWQBDFH-LBPRGKRZSA-N 325.365 1.751 0 40 EDAB O=c1nc2s/c(=C\c3cccs3)c(=O)n2nc1-c1ccccc1 138130 AOJGVHJJZVQFFU-XFXZXTDPSA-N 339.401 1.787 0 40 EDAB O=C(O)C1=[N+](C(=O)CCCCC(=O)[N+]2CCCC2=C(O)O)CCC1 1560405373 QBCZQWIBOIILSJ-UHFFFAOYSA-O 339.368 1.151 0 40 EDAB Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2nc3ccccc3c(=O)[nH]2)C1 12116228 WLCHRTTYKPVBGE-GFCCVEGCSA-N 337.383 1.974 0 40 EDAB Cc1cccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 12804612 DGZUQMTUBIVBIY-UHFFFAOYSA-N 325.324 1.960 0 40 EDAB CC1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 14202287 SUTCSVZGCZPOHX-UHFFFAOYSA-N 341.411 1.317 0 40 EDAB CNc1cc(C(=O)N2CCO[C@H](C(=O)NC3CCCC3)C2)ccn1 19747776 LRXPKJMDQAGEDQ-AWEZNQCLSA-N 332.404 1.023 0 40 EDAB O=S(=O)(CCCOc1ccccc1)N1CC[C@H](n2ccnn2)C1 206936321 HHHWMFOFURSDKX-AWEZNQCLSA-N 336.417 1.324 0 40 EDAB CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)n1 225402749 BXIWPGCBRAVRDT-GFCCVEGCSA-N 343.387 1.702 0 40 EDAB Cc1noc([C@@H](NC(=O)NC[C@H]2CCCCO2)C2CCOCC2)n1 548017583 WFZUCIBSTYWSJM-KGLIPLIRSA-N 338.408 1.714 0 40 EDAB COCCN1C(=O)CN(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)C1=O 253409238 ZUZQNWSFELNFFM-CQSZACIVSA-N 349.431 1.244 0 40 EDAB C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@@H]12 19891272 LTJAGZKGLNGMHB-YIOZNXECSA-N 340.379 1.356 0 40 EDAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)[C@H]4CCCO4)C[C@H]3C2)nn1 1888846772 NCSRHYZXBQEZLR-RBSFLKMASA-N 344.459 1.848 0 40 EDAB Cc1nc2c(c(N3CCN(c4ccc(N(C)C)nn4)CC3)n1)CCC2 1889083354 OTKGSPINILGIDL-UHFFFAOYSA-N 339.447 1.456 0 40 EDAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](C(=O)N2CCOCC2)C1 23315723 YKLSWROMQBYOSO-GOSISDBHSA-N 342.439 1.886 0 40 EDAB COC(=O)[C@H](NC(=O)c1ccnc(OC2CCOCC2)c1)C(C)C 239611712 FBHDFSKOFMBQBZ-OAHLLOKOSA-N 336.388 1.567 0 40 EDAB O=C(Cc1c[nH]c2ccccc12)N1CCC(N2C(=O)COC2=O)CC1 244909808 AWKCQZHMLHDXPS-UHFFFAOYSA-N 341.367 1.680 0 40 EDAB CN1C[C@]2(COCC1=O)CN(Cc1cc(F)cc(F)c1)CCO2 2037983927 LBYYXEONBJCYQG-MRXNPFEDSA-N 326.343 1.024 0 40 EDAB COCCN1CCC2(C1)CN(C(=O)COc1cc(F)ccc1F)C2 1073139674 QZBOLAIWGNSWGI-UHFFFAOYSA-N 340.370 1.524 0 40 EDAB O=C(N1CCO[C@@]2(CCCN(c3ncccn3)C2)C1)C1(F)CCC1 1565546475 CTBAREYDIHDCSG-INIZCTEOSA-N 334.395 1.567 0 40 EDAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O 4517765 VNEIQGVVVFZRKZ-UHFFFAOYSA-N 344.348 1.226 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)o1 2055747594 LJNUCZJSMQXZMW-WBVHZDCISA-N 345.399 1.918 0 40 EDAB COc1ccc(C)cc1N1C[C@H](C(=O)N2CCSCC2)CC1=O 40122311 DKWYWFIZFVONFQ-CYBMUJFWSA-N 334.441 1.932 0 40 EDAB COc1ccc(CCNC(=O)C(=O)Nc2n[nH]c3ncccc23)cc1 40284989 STYJTLKTUVLKEG-UHFFFAOYSA-N 339.355 1.264 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)NCc1cnn(-c2ccccc2)c1 40489517 XLABTETXXQEYPM-AWEZNQCLSA-N 347.444 1.279 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)Cn1cc(C(F)(F)F)ccc1=O 40457367 DFQWZSBOZXIZSL-UHFFFAOYSA-N 347.337 1.240 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 40515784 PBWLOGWJQJYSHD-ZDUSSCGKSA-N 347.440 1.636 0 40 EDAB Cc1cccc(C)c1NC(=O)CN1CCN(C[C@H]2CCOC2)CC1 51706440 NEWYKFHFJUGAAP-QGZVFWFLSA-N 331.460 1.896 0 40 EDAB O=C(C1CCCCC1)N1CCC(Nc2ccc3nnnn3n2)CC1 52072919 WPRNRFUUXSBQHB-UHFFFAOYSA-N 329.408 1.503 0 40 EDAB O=C(CN1CCN(Cc2cscn2)CC1)NCc1ccccc1 32879845 OEFCRKBQDOOJMM-UHFFFAOYSA-N 330.457 1.577 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NCCOc1ccc2c(c1)OCO2 41487943 HEMQOIUZGJVNHL-GFCCVEGCSA-N 332.360 1.379 0 40 EDAB CCN(CC)c1nc2sc(C(=O)N3CCNC(=O)C3)cc2s1 53092965 BNMBSGVAIFYMBL-UHFFFAOYSA-N 338.458 1.776 0 40 EDAB CN(C)c1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cn1 22327144 WHZYDLJLGMKTCM-UHFFFAOYSA-N 345.403 1.341 0 40 EDAB CC(C)C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N1CCOCC1 22970249 AWFMPKUDOAXHPW-CQSZACIVSA-N 327.469 1.012 0 40 EDAB O=C(NCCc1cn2ccccc2n1)[C@H]1CCCN(C(=O)C2CC2)C1 42494349 FXPWPEFHBSRFDM-HNNXBMFYSA-N 340.427 1.642 0 40 EDAB Cc1nn(C)c2ncc(C(=O)N3CCN(c4ncccn4)CC3)cc12 23735758 BRSKBKNGMSWULM-UHFFFAOYSA-N 337.387 1.029 0 40 EDAB CN1C(=O)c2ccc(NC(=O)CCNC(=O)c3ccco3)cc2C1=O 24020717 NDKFERCVAPAJME-UHFFFAOYSA-N 341.323 1.264 0 40 EDAB CN(CC(=O)Nc1cnn(C)c1)S(=O)(=O)c1ccc(Cl)cc1 24585618 HQRHVTIMDSVHKY-UHFFFAOYSA-N 342.808 1.333 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)NCCc1ccc2c(c1)OCCO2 47718223 FELCTWKDSAMHDI-AWEZNQCLSA-N 349.431 1.020 0 40 EDAB CCc1ccccc1N(CC(=O)NCc1ccco1)S(C)(=O)=O 886882 JSMQGSKGSSJROG-UHFFFAOYSA-N 336.413 1.924 0 40 EDAB COc1ccc(C)cc1-n1ccc(C(=O)NCc2nccn2C)n1 78488372 ZTBYHIFQLCZPRP-UHFFFAOYSA-N 325.372 1.853 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)CCn3nc(C)cc3C)CCO2)n1 78888835 XZGQXKYTBXWQFU-CYBMUJFWSA-N 332.408 1.171 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)CCc3ccccn3)CCO2)n1 78889054 ACCDQMXNTVZHBY-AWEZNQCLSA-N 329.404 1.856 0 40 EDAB O=C(CN1CCN(Cc2cccc(O)c2)CC1)Nc1cccnc1 78969148 WRXPBLLGBHITII-UHFFFAOYSA-N 326.400 1.544 0 40 EDAB C[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)[C@@H]1C[C@H]2CC[C@H]1C2 106507739 BJVHAAGXTKIQKJ-GMOBBJLQSA-N 328.459 1.950 0 40 EDAB O=C(C[C@H](NCc1ccco1)C(=O)O)Nc1ccc2c(c1)OCO2 2710423 XUEYOXYCQQMYQC-LBPRGKRZSA-N 332.312 1.580 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 106643435 XXLXMWZYUCTQER-IAQYHMDHSA-N 334.395 1.689 0 40 EDAB O=C1C[C@H](N(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C2CC2)C(=O)N1 106763931 QMFWDQCCXWWURT-QXEWZRGKSA-N 332.322 1.761 0 40 EDAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 6725594 JEFKNEIGTPZOPI-DHMWGJHJSA-N 346.383 1.311 0 40 EDAB COc1ccc(OC)c([C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)c1 44262821 XUIYEHCRIAPABG-ZDUSSCGKSA-N 334.372 1.602 0 40 EDAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CCCS(=O)(=O)c1ccccc1 84558647 YSRAVHIFLFPJJP-GJZGRUSLSA-N 333.409 1.802 0 40 EDAB CC[C@H](C)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 8391459 WVSXQISIAHINAO-LBPRGKRZSA-N 349.456 1.762 0 40 EDAB CCOc1ncccc1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 27584817 FXZGBURBRXWDSS-SECBINFHSA-N 331.294 1.830 0 40 EDAB Cn1ccnc1CNC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C 100217386 PYFQETZYGCXPEP-SUNYJGFJSA-N 338.367 1.124 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CCN(C[C@@H]2CCCO2)CC1 58224070 UTYDXLXRCHJIAL-HNNXBMFYSA-N 347.415 1.422 0 40 EDAB C[C@H](OC[C@H](O)CNc1ncnc2c1cnn2C)c1ccccc1 44976119 ITIBOGRWEYXSTR-GXTWGEPZSA-N 327.388 1.914 0 40 EDAB C[C@H]1CN([C@@H](C)CNC(=O)NCc2cccnc2N(C)C)C[C@@H](C)O1 44954735 CUSXAZAEFJGMLZ-SOUVJXGZSA-N 349.479 1.445 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)c2ccc3c(c2)CCO3)C1=O 26280743 AVAPCMRNUIZVCL-SFHVURJKSA-N 340.335 1.864 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)[C@H](C)S(=O)(=O)C(C)C)c1 58343006 KCKGDQRVWIAFIQ-AWEZNQCLSA-N 340.489 1.966 0 40 EDAB COC(=O)c1cc(F)ccc1COC(=O)[C@H]1CCS(=O)(=O)C1 58427939 FIOPPPQWPBCBGB-JTQLQIEISA-N 330.333 1.090 0 40 EDAB COc1ccnc(N2CCCN(C(=O)c3cccnc3C)CC2)n1 95394043 RQDHWERPWLGPNU-UHFFFAOYSA-N 327.388 1.541 0 40 EDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)Cn1cccn1 11118657 RYGGQPPESFJGQN-LBPRGKRZSA-N 342.355 1.190 0 40 EDAB Cc1ccccc1Cc1nnc(SCCN2CCOCC2)nc1O 36646248 USZHLRKTDLBSIE-UHFFFAOYSA-N 346.456 1.901 0 40 EDAB Cn1cc(CN2CCC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)cn1 107228228 JBCTUKLDMJBKBV-WBVHZDCISA-N 329.404 1.413 0 40 EDAB CCC[C@](C)(NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)O 97757758 VTQMJSWZOJUKLF-ZDUSSCGKSA-N 349.430 1.012 0 40 EDAB C[C@H](NC(=O)NCCNS(C)(=O)=O)c1cc2ccccc2o1 45651985 JZJOANSWQHHWLE-JTQLQIEISA-N 325.390 1.342 0 40 EDAB CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CCC(=O)N(C)C1 95436934 SHFVEIZFHMKPFA-MRXNPFEDSA-N 346.475 1.817 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)NCCN2CCC(C)CC2)cc1 45745048 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O=S(=O)(C1CC1)N1CCO[C@@H](c2noc(-c3ccccc3)n2)C1 96000536 GFFPMEHWWQXJPC-CYBMUJFWSA-N 335.385 1.602 0 40 EDAB O=C(c1cn(Cc2ccccc2)nn1)N1CCC2(CC1)OCCO2 24998014 ORARHYAMWPNAQX-UHFFFAOYSA-N 328.372 1.306 0 40 EDAB CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(C[C@@H]1CCCO1)C2=O 4239896 VWAJTIYWVJIEIR-XJKSGUPXSA-N 327.384 1.658 0 40 EDAB O=C1NC(=S)N/C1=C\c1ccc(I)cc1 13896149 BLLGLUHYCLXMBG-YVMONPNESA-N 330.150 1.636 0 40 EDAB Cc1cc(C)c(CNC(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 65462516 DMWMWGHPVDIUMW-UHFFFAOYSA-N 329.356 1.720 0 40 EDAB O=C(CC1CCN(c2nccn(C3CC3)c2=O)CC1)N1CCCC1 95464257 GGAATQPWLAHVQO-UHFFFAOYSA-N 330.432 1.807 0 40 EDAB CCc1ccc(C(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)o1 65576620 WJKBMRZXQUEOTG-UHFFFAOYSA-N 347.346 1.839 0 40 EDAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(c2ncccn2)CC1 14168723 MBLXGXRONUZCTF-CQSZACIVSA-N 343.435 1.403 0 40 EDAB COc1ccc(OCCNC(=O)N2CC[C@H](N3CCCC3)C2)cc1 66175946 GLXQIOMZNBRNLF-HNNXBMFYSA-N 333.432 1.954 0 40 EDAB CN(C(=O)NC1CCC(O)CC1)C1CCN(c2ccccn2)CC1 66149001 NGVKEKNVEJESJG-UHFFFAOYSA-N 332.448 1.995 0 40 EDAB C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(c2ccccc2)CC1 71795974 WXUJZVLMHGVIKS-YJBOKZPZSA-N 343.471 1.978 0 40 EDAB CC(C)[C@@H](CNC(=O)NCCc1ccccn1)N1CCN(C)CC1 71798645 USKJYCKGORPXOR-QGZVFWFLSA-N 333.480 1.195 0 40 EDAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(OC)cc2)C1 7461604 QUOCCRGYMMEYKQ-HOCLYGCPSA-N 348.443 1.975 0 40 EDAB COc1ccc(C(=O)[C@@H](C)OC(=O)C2=NNC(=O)CC2)c(OC)c1 7778385 AWJCUZRMHFFLNK-SECBINFHSA-N 334.328 1.084 0 40 EDAB CN1CCN(C(=O)C2(S(C)(=O)=O)CCCC2)Cc2ccccc21 68856254 ZOQCUQGIRVLNBB-UHFFFAOYSA-N 336.457 1.822 0 40 EDAB Cc1nc(C(=O)N(C)CC(=O)N(C)C)nn1-c1ccccc1C(C)C 71850941 RJTHKGRPNUJHDE-UHFFFAOYSA-N 343.431 1.859 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(C2CC2)s1 16694445 JOIUNAQNVXPDNO-UHFFFAOYSA-N 335.389 1.219 0 40 EDAB CCNC(=O)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@H]1C2 306129598 IHXBLEAINWFCRN-CHWSQXEVSA-N 331.445 1.394 0 40 EDAB CCOC(=O)NC(=O)COC(=O)COc1ccc(C(=O)CC)cc1 8127948 WEMVYJZHWGUNBH-UHFFFAOYSA-N 337.328 1.474 0 40 EDAB C[C@H]1CN(CC(=O)Nc2cc(C(C)(C)C)no2)CCN1C[C@@H](C)O 71864377 VJOPOPWCDPIDPF-QWHCGFSZSA-N 338.452 1.298 0 40 EDAB CN1C(=O)C[C@@H](C(=O)N[C@@H]2C=C[C@H](CO)C2)[C@@H]1c1cccc(Cl)c1 81765968 BXRODMULZIDSMI-OFSOMGBPSA-N 348.830 1.913 0 40 EDAB COc1ccc(CCN2CCN(C(=O)c3cnc(C)cn3)CC2)cc1 71836611 CUTUOCZUCSRRFY-UHFFFAOYSA-N 340.427 1.794 0 40 EDAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COCc1nc2ccccc2s1 71829763 WVTPAQURWRXTPF-VXGBXAGGSA-N 347.440 1.925 0 40 EDAB O=C1NC2(CCCCC2)C(=O)N1CC(=O)N1CCC[C@@H]1c1ccc[nH]1 71818724 WFJXFYCOYOUXCX-CQSZACIVSA-N 344.415 1.933 0 40 EDAB Cc1nc(CN2CCC[C@@H](N(C)Cc3nnc(C4CC4)o3)C2)no1 71870542 YHQPTNBPGNJAHA-CYBMUJFWSA-N 332.408 1.735 0 40 EDAB Cc1oncc1C(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 306132211 LBSGISPQXPBEDG-DLBZAZTESA-N 344.415 1.969 0 40 EDAB CC(=O)N1CCN(C(=O)CNc2c(C)cccc2OC(F)F)CC1 69491035 NZCPYQXHLXUQPJ-UHFFFAOYSA-N 341.358 1.699 0 40 EDAB O=C1OCC[C@@H]1Sc1ccc(S(=O)(=O)N2CCCC2)cn1 17225801 NQLBCDLSQFYLPL-NSHDSACASA-N 328.415 1.274 0 40 EDAB COC(=O)c1ccc(N[C@H](C)c2ccc3c(c2)NC(=O)CO3)nn1 69581507 YMPVYMHEZIHTEA-SECBINFHSA-N 328.328 1.767 0 40 EDAB Cc1noc(C)c1CN(C)CC1=NS(=O)(=O)c2ccccc2N1 69535515 APSSQZIYSSEKNS-UHFFFAOYSA-N 334.401 1.936 0 40 EDAB CC(=O)N[C@H](C)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 69591202 OXINGNFKLRWNGC-SSDOTTSWSA-N 337.273 1.824 0 40 EDAB Cc1nc([C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c2ccccc2)n[nH]1 69775588 AWGNGZAJJSBDIL-BXUZGUMPSA-N 343.431 1.870 0 40 EDAB COc1ccc(F)cc1[C@H](C)NC[C@H]1CNc2c(C(N)=O)cnn2C1 69840794 YZPQMZNAZYWVJW-QWRGUYRKSA-N 347.394 1.522 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)NCC(C)(C)C(N)=O)cn2)C[C@@H](C)O1 69879275 RNUMUWLUEADCKD-TXEJJXNPSA-N 349.435 1.328 0 40 EDAB C[C@@H](c1ccc(NC(=O)CNC(=O)NC2CC2)cc1)N1CCOCC1 69817934 WBLVJWRSZARTTE-ZDUSSCGKSA-N 346.431 1.480 0 40 EDAB CCSc1ccc([C@@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1 69812152 VFHJUSVQKYEWRV-LLVKDONJSA-N 330.475 1.867 0 40 EDAB Cc1cc(NC(=O)N2CCN(C)C[C@H]2C)ccc1N1C(=O)CCC1=O 69978166 GNCSFIYTONIXTP-CYBMUJFWSA-N 344.415 1.816 0 40 EDAB COC(=O)N[C@@H](C(=O)OC[C@@H]1CN(CC(C)C)CCO1)C(C)C 69948726 CALOEOFOUWJGHS-UONOGXRCSA-N 330.425 1.267 0 40 EDAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc3ccccn3c2)CC1 74257803 ARHMSUYPEJOOIC-KRWDZBQOSA-N 340.427 1.494 0 40 EDAB Cn1c(CN2CCC(Cc3ccccc3)CC2)cc(=O)n(C)c1=O 9881873 HNUMFCTYNKAKPQ-UHFFFAOYSA-N 327.428 1.539 0 40 EDAB O=C1CN(Cc2ccc(OC(F)F)c(Br)c2)CCN1 97033813 KLKBVCLPZWOKLV-UHFFFAOYSA-N 335.148 1.982 0 40 EDAB O=C(CN1CCOCC1)NC[C@H](c1ccc(Cl)cc1)n1cccn1 97049087 YOCXCSLQZYDUEK-MRXNPFEDSA-N 348.834 1.574 0 40 EDAB O=C([C@H]1CSc2ccccc2O1)N1CCC[C@@H](n2cncn2)C1 72235023 IACGAMBNBNWXHJ-TZMCWYRMSA-N 330.413 1.995 0 40 EDAB O=C(NCc1ccc(F)cc1)[C@@H]1CCN1S(=O)(=O)c1ccccc1 97134290 NMSUQKDPPXVVFF-INIZCTEOSA-N 348.399 1.905 0 40 EDAB CN1CC[C@H](C(=O)NC2CCN(Cc3cccs3)CC2)CC1=O 95956388 VVLCZKZSUPEIID-ZDUSSCGKSA-N 335.473 1.697 0 40 EDAB Cc1nnc(CN(C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)n1C 72490348 SBKCHSXSZYMGBY-NSHDSACASA-N 333.358 1.356 0 40 EDAB Cc1cc(CC(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)n[nH]1 95965393 GTDSWURPFWFWHE-INIZCTEOSA-N 327.384 1.761 0 40 EDAB CS(=O)(=O)NCCNc1ccc2cccc(Br)c2n1 89486803 OMPFLAPHCBUIRO-UHFFFAOYSA-N 344.234 1.958 0 40 EDAB CC(C)NC(=O)N1CCCN(C(=O)c2ccc3c(c2)ncn3C)CC1 75045058 XKOYGUNRURWIJV-UHFFFAOYSA-N 343.431 1.839 0 40 EDAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1nnc2ccccc2c1=O 75141482 KZJSRKCPTAUFTO-IOASZLSFSA-N 326.400 1.971 0 40 EDAB Cc1cc(NC(=O)Cn2cccc(-c3nc(C4CC4)no3)c2=O)no1 75166118 ZEQFMVDNAVINHI-UHFFFAOYSA-N 341.327 1.711 0 40 EDAB O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCN(CCO)CC1 75572192 MYFUHLVKKOZWQM-KBPBESRZSA-N 342.361 1.945 0 40 EDAB CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)CCF)C2 306130112 IWJHUSLIKNLFAF-OAHLLOKOSA-N 335.423 1.881 0 40 EDAB O=C([C@@H]1CCCc2n[nH]cc21)N1CCC2(CCC2)S(=O)(=O)CC1 1550818081 XGCYVHBHIVNHSY-GFCCVEGCSA-N 337.445 1.399 0 40 EDAB O=C(NC[C@H]1CCCN(C(=O)CCc2ccsc2)C1)[C@H]1CCCN1 122144297 FLGTVHGJFRCJQX-HZPDHXFCSA-N 349.500 1.788 0 40 EDAB CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408708169 HFSGDJZRECCMKJ-LBPRGKRZSA-N 347.415 1.185 0 40 EDAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@H]1COc2ccccc2C1=O 128846478 PKPQDYHTXHVIEY-ZBEGNZNMSA-N 341.411 1.976 0 40 EDAB Cn1ncc2c1CCC[C@H]2NC(=O)[C@@]1(C)Oc2ccccc2NC1=O 71195590 XKJZLTOVYSRZRS-KZULUSFZSA-N 340.383 1.704 0 40 EDAB CC(=O)N(C)Cc1cncc([C@H]2CCCN2Cc2nccn2C)n1 72366125 SQLDGIHDOYLWAR-MRXNPFEDSA-N 328.420 1.526 0 40 EDAB COc1ccc2cc(C(=O)N3CCC[C@@H]3CO)sc(=O)c2c1OC 1565524841 QGMHMPXITGSXER-LLVKDONJSA-N 349.408 1.876 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)NCc1ccccc1N1CCCC1 36614606 QTPQPKKDVKCRCR-UHFFFAOYSA-N 334.445 1.807 0 40 EDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1OC 32639779 WQAWPBYMELLSRF-JQWIXIFHSA-N 326.443 1.790 0 40 EDAB CN1CCN(C(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)CC1 36635257 AGLPTDZGPBZPGC-CYBMUJFWSA-N 333.413 1.419 0 40 EDAB CCOC(=O)/C=C/[C@H]1OC(C)(C)O[C@H]1[C@H](O)[C@@H]1COC(C)(C)O1 38194661 IRSBSJCQLYNPLV-FFOLKIDYSA-N 330.377 1.138 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2cccnc2)[C@@H]1c1ccccc1 72237997 ONYIZJNBFFNHMT-IRXDYDNUSA-N 325.368 1.296 0 40 EDAB CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)CN2CCCCC2)n1 72379639 DFSMXPIEYXWOLW-KRWDZBQOSA-N 345.447 1.262 0 40 EDAB C[C@@H]1CCCN(c2nc(O)c3c(n2)CN(Cc2cnn(C)c2)CC3)C1 72335617 QQPPNSVLJSHBPV-CYBMUJFWSA-N 342.447 1.710 0 40 EDAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2CC(N)=O)n1 72360958 VCDWZEVXKUVZNB-LBPRGKRZSA-N 332.433 1.916 0 40 EDAB COc1ccc(S(=O)(=O)NCc2cc(C)nc(N(C)C)n2)cc1 188280473 LQMKFQPZFJLTKU-UHFFFAOYSA-N 336.417 1.338 0 40 EDAB CC(=O)Nc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)cs1 72368567 HBGVIUUJQYGETN-LLVKDONJSA-N 333.417 1.855 0 40 EDAB C[C@@H]1Cn2nc(C(=O)Nc3ccc4c(c3)NC(=O)CC4)cc2CN1 1576870513 BZZFNKYQIUGIEQ-SNVBAGLBSA-N 325.372 1.512 0 40 EDAB C[C@H]1COCCN1CCN(C)[C@@H]1CCN(Cc2ccccc2)C1=O 192819695 NGNDWUSRGRRUGW-FUHWJXTLSA-N 331.460 1.440 0 40 EDAB O=S(=O)(Cc1ccccc1)NCc1ccnc(N2CCCC2)n1 224204218 AMNIVKRTIDEPNF-UHFFFAOYSA-N 332.429 1.696 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1 85470903 XFCNMPIYAOYDFM-UKRRQHHQSA-N 332.448 1.692 0 40 EDAB Cc1cccc(C(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c1 224358001 GUEJXTFDXWNTAA-UHFFFAOYSA-N 341.415 1.940 0 40 EDAB CCc1cnc(CCNC(=O)Cn2c(=O)cnc3ccccc32)s1 81203909 YBJSVMYWGBFDNZ-UHFFFAOYSA-N 342.424 1.774 0 40 EDAB COc1ccc(CCNC(=O)[C@@H](N)Cc2ccncc2)cc1OC 1579209223 OTBFGSNVFLCUTB-HNNXBMFYSA-N 329.400 1.328 0 40 EDAB COc1ccc(CCNC(=O)C2CCC(Cn3cnnn3)CC2)cc1 40268079 PFCAHONZNZXOMR-UHFFFAOYSA-N 343.431 1.847 0 40 EDAB C[C@H](C(=O)N1CC(CC(F)F)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 572835774 VIENIEFHJPIBGJ-USWWRNFRSA-N 328.359 1.664 0 40 EDAB O=C(NC[C@H]1CC[C@@H](O)C1)NC1CCN(CCc2ccncc2)CC1 225584172 DBQGZTFGHRBGKQ-FUHWJXTLSA-N 346.475 1.549 0 40 EDAB C[C@@H](C(=O)O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 575991909 IGQMVTGMFGKGMY-SNVBAGLBSA-N 342.417 1.564 0 40 EDAB CS(=O)(=O)N[C@@H](CC(=O)N1CCCCC1)c1ccc(F)cc1 225946986 XJPQARUWIPEHJY-AWEZNQCLSA-N 328.409 1.819 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccccn1 96058023 JLPRBLXJGYDEHZ-GVDBMIGSSA-N 340.383 1.460 0 40 EDAB CCO[C@H]1C[C@H](O)C12CCN(c1ccc(-n3ccc(C)n3)nn1)CC2 96421018 JNQAERIDWOMKEP-GJZGRUSLSA-N 343.431 1.727 0 40 EDAB Cn1cnnc1[C@H]1CN(C(=O)N[C@@H]2COc3ccccc32)CCO1 583623921 GRTXSSJTDXMOCA-TZMCWYRMSA-N 329.360 1.032 0 40 EDAB COCC(=O)N1CCC[C@@]2(CCN(Cc3cccc(C)n3)C2=O)C1 96048829 MODJQKWXGMNKCL-GOSISDBHSA-N 331.416 1.378 0 40 EDAB CN(C)CCOC[C@H]1CN(C(=O)c2cccs2)Cc2nnn(C)c21 96045456 RDNDGMZKAXSABJ-GFCCVEGCSA-N 349.460 1.194 0 40 EDAB C[C@@H]1CN(Cc2ccccc2CNC(=O)Cn2ccnn2)C[C@@H](C)O1 96454919 BDQYCPLLRLONGK-HUUCEWRRSA-N 343.431 1.204 0 40 EDAB CN(C)c1ncc2c(n1)[C@@]1(CCN(Cc3cccnc3)C1)COC2 96243986 BXNWXUQAPKCJLB-GOSISDBHSA-N 325.416 1.612 0 40 EDAB C[C@H](NC(=O)NCCCn1cccn1)c1nnnn1-c1ccccc1 96406821 FPFUYCKPHVNUAC-ZDUSSCGKSA-N 340.391 1.309 0 40 EDAB Cc1nc(S(=O)(=O)Nc2cccc(CCCC(=O)O)c2)cn1C 585142023 MGTJWYAUOBTWKE-UHFFFAOYSA-N 337.401 1.937 0 40 EDAB COc1cccc(O)c1C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 585121520 ROEGEYNKRJZXBL-ZDUSSCGKSA-N 332.400 1.779 0 40 EDAB COc1ccc(CN2CC[C@@H]2C(=O)N[C@H]2CC[C@@H](CO)CC2)cc1 585131947 KLGVOWCAPGMLCB-SOLBZPMBSA-N 332.444 1.937 0 40 EDAB COCCC1(C(=O)NS(=O)(=O)CC=C(Cl)Cl)CCC1 585136151 SZSCPWGMYYZXKV-UHFFFAOYSA-N 330.233 1.958 0 40 EDAB O=C(NCc1cccs1)[C@@H]1CN(c2ncccn2)Cc2ccnn21 247477989 HYFRRVMLUJAINE-AWEZNQCLSA-N 340.412 1.612 0 40 EDAB Cc1cc([C@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)nc(C)n1 257210492 BUWRFBAQURTNBF-MRXNPFEDSA-N 329.404 1.589 0 40 EDAB C[C@@H](C[S@@](C)=O)NC(=O)NC1CCN(c2nccs2)CC1 252491959 MAHGQPRLYMUXNH-CHNSCGDPSA-N 330.479 1.178 0 40 EDAB O=C(CCn1cnc2ccccc21)N1CCO[C@H](c2cnccn2)C1 257212325 CCVVHPRTOQZBJN-KRWDZBQOSA-N 337.383 1.817 0 40 EDAB O=C1C[C@H](N2CCCC[C@H]2CCO)C(=O)N1c1ccc(F)c(F)c1 253564561 GQPJOMGRXBUZNH-NHYWBVRUSA-N 338.354 1.834 0 40 EDAB O=C(c1ccc2c(c1)CCC2)N1CC[C@@](O)(CN2CCOCC2)C1 257319845 VUGWXTQTGCXIFB-LJQANCHMSA-N 330.428 1.085 0 40 EDAB Cc1nc(O)cc([C@H]2CN(S(=O)(=O)Cc3ccccc3)CCO2)n1 257203544 AQNNMRSDBQVOFH-OAHLLOKOSA-N 349.412 1.394 0 40 EDAB CC(=O)N1CCC(O)(CN2CCN(C)[C@H](c3ccccc3)C2)CC1 257309442 UAYOXPCEGUWHGK-SFHVURJKSA-N 331.460 1.349 0 40 EDAB CNC(=O)C1(CCCc2ccccn2)CN(Cc2nccn2C)C1 257267949 MJOVKKNEGWLIIW-UHFFFAOYSA-N 327.432 1.386 0 40 EDAB CN1CCN(C(=O)CCCc2c[nH]c3ccccc23)[C@H](C(N)=O)C1 257204711 AVYXKXQVWMFYPE-INIZCTEOSA-N 328.416 1.119 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ccnc(-c3ccnn3C)c2)C1 257227297 FOOZMMXUSTZKAN-CQSZACIVSA-N 349.460 1.468 0 40 EDAB CN(C)C(=O)c1cc(C[C@@H]2CCCN(c3ccncn3)C2)ncn1 257202537 AMGKZFNVVSSPCI-ZDUSSCGKSA-N 326.404 1.428 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCC3(CC(Nc4ccncn4)C3)C2)n1 257264949 LWQJISZERCBURC-UHFFFAOYSA-N 340.431 1.783 0 40 EDAB Cc1cc2ncc(C(=O)N(CCC(=O)O)C[C@@H]3CCCO3)c(C)n2n1 532002881 SMINFLYAUUZTRG-ZDUSSCGKSA-N 346.387 1.442 0 40 EDAB CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)Cc1ccccc1 260793436 PLMICFVFLCTJPN-JYJNAYRXSA-N 336.457 1.753 0 40 EDAB CCOC(=O)CC1(NC(=O)CCC2CCOCC2)CCOCC1 598490134 NTUUXWWSDHDGKK-UHFFFAOYSA-N 327.421 1.812 0 40 EDAB CCOCc1ccc(CNC(=O)CN2C[C@@H](N)C3(CCC3)C2)cc1 1615059259 YIVOYOSKXCSWSX-QGZVFWFLSA-N 331.460 1.653 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)NCc1nccc(C(F)(F)F)n1 1615591048 SXAIXWJDPOXUHR-UHFFFAOYSA-N 327.310 1.705 0 40 EDAB COc1ccn2c(C(=O)NC(C)(C)[C@@H](O)C(F)(F)F)cnc2c1 1615547521 JCPDYPFAQPNVPO-GFCCVEGCSA-N 331.294 1.775 0 40 EDAB CCCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(-n2cnnc2)c1 1616045540 CSESPZXXHAFVLT-CQSZACIVSA-N 345.428 1.907 0 40 EDAB O=C(NCCCn1ccnc1-c1ccccc1)C(=O)Nc1ccon1 96096574 SNSZLCZWAKXTIW-UHFFFAOYSA-N 339.355 1.683 0 40 EDAB Cn1cnc(S(=O)(=O)N2CC[C@@H](Oc3ccncc3Cl)C2)c1 575605341 JTGZVOURMRWJLW-SNVBAGLBSA-N 342.808 1.311 0 40 EDAB O=C(c1ccc(O)nn1)N1CCC[C@H](Oc2ccncc2Cl)C1 575606133 SFTMZYHZSTUDFS-JTQLQIEISA-N 334.763 1.914 0 40 EDAB Cn1ccc(C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 575607078 KMGAMIMVMIDKPF-QGZVFWFLSA-N 327.384 1.966 0 40 EDAB COc1cc(C(=O)N2CCO[C@@H](c3nncn3C)C2)ccc1Cl 583623032 LWZZXOQQNLQJPB-CYBMUJFWSA-N 336.779 1.691 0 40 EDAB O=C(NC1CCC1)[C@H]1CN(C(=O)Cc2cccc(F)c2)[C@@H]2CCO[C@H]12 585109479 SLRQIISPQFDWHH-LZLYRXPVSA-N 346.402 1.653 0 40 EDAB O=C(Cn1ccnc1)N1CCO[C@](CO)(Cc2ccc(Cl)cc2)C1 585276829 RCXIPVVVIUHDAH-QGZVFWFLSA-N 349.818 1.369 0 40 EDAB Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc1 65563715 BEWKVTKOTDLDTD-CQSZACIVSA-N 340.470 1.585 0 40 EDAB CSCC[C@H](NC(N)=O)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 69460307 GGOZBTQTZILMNK-OLZOCXBDSA-N 339.465 1.145 0 40 EDAB O=C(CNS(=O)(=O)c1cc(F)c(F)cc1F)Nc1cccnc1 69775624 NFUFYBHLVCJYTP-UHFFFAOYSA-N 345.302 1.416 0 40 EDAB c1ncc(N2CCC[C@H]2c2cncc(CN3CCOCC3)n2)cn1 72366115 XXBVWHSTEIVYNL-KRWDZBQOSA-N 326.404 1.440 0 40 EDAB COc1ccnc(N2CCC(CN(C)c3nccnc3OC)CC2)n1 1776009778 QATHSYKTGLINKQ-UHFFFAOYSA-N 344.419 1.637 0 40 EDAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F)C1CC1 78875418 GQCXCIXDNJQCJB-UHFFFAOYSA-N 328.365 1.195 0 40 EDAB O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)Nc1nccs1 5155093 HUDUIIMMPIQZLE-UHFFFAOYSA-N 336.320 1.976 0 40 EDAB COc1cc(C(=O)OCC(=O)N2CCC(C)CC2)cc2c1OCCO2 5350591 IJWJLBIBDJSZCK-UHFFFAOYSA-N 349.383 1.882 0 40 EDAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)c2ccccn2)CC1 12222720 SVYFDWOHUWSUIG-UHFFFAOYSA-N 345.424 1.900 0 40 EDAB Cc1cc(-c2snnc2[C@@H]2CCCN(S(C)(=O)=O)C2)on1 12251780 GDXCDLJQLWKBMV-SECBINFHSA-N 328.419 1.641 0 40 EDAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCOCC3)N2)cc1 14162875 JSVNPDPSFJDCOT-HNNXBMFYSA-N 344.415 1.325 0 40 EDAB CC(=O)NC(=S)Nc1ccccc1-c1nn2c(C)nnc2s1 14257525 RNNSLQWWVMIPAC-UHFFFAOYSA-N 332.414 1.994 0 40 EDAB O=c1cc(CN2CCN(CCO)CC2)c2cc3c(cc2o1)CCC3 19371512 NQIWHYVNHNVKIQ-UHFFFAOYSA-N 328.412 1.392 0 40 EDAB biogenic Cc1nc2ccccc2nc1SCC(=O)N1CCN(CCO)CC1 19681469 AEWPPVJXQCITNI-UHFFFAOYSA-N 346.456 1.167 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC(Cc2cc(N)nc(C)n2)CC1 19758682 DAWDXZOEHXQJJO-UHFFFAOYSA-N 341.481 1.208 0 40 EDAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccncc3)C2=O)o1 6247655 SFBADPISFSCBJZ-WQLSENKSSA-N 327.296 1.554 0 40 EDAB CCS(=O)(=O)N1CCN(c2cc(OC(C)C)nc(C)n2)CC1 12224985 CFZXTFWOESZNEU-UHFFFAOYSA-N 328.438 1.044 0 40 EDAB Cc1n[nH]cc1CN1C[C@@H](O)[C@@]2(C[C@H](c3cccc(F)c3)CO2)C1 643585907 BFKYXFCDGGNCRQ-BMGDILEWSA-N 331.391 1.977 0 40 EDAB O=C(COc1ccc(F)cc1)NCC1CCN([C@H]2CCOC2)CC1 575607800 POJCYJVXIHECLU-INIZCTEOSA-N 336.407 1.822 0 40 EDAB O=C([C@H]1CN(Cc2cc(C3CC3)on2)CCO1)N1CCSCC1 1888834066 XZIJEABJCNSHIZ-OAHLLOKOSA-N 337.445 1.328 0 40 EDAB CCS(=O)(=O)N1C[C@H]2CN(c3nc4ccccc4n3C)C[C@@H]2C1 1888860236 YWQZGQPOVJWWHN-CHWSQXEVSA-N 334.445 1.291 0 40 EDAB O=S(=O)(N[C@@H]1CCCN(c2cnc3ccccc3n2)C1)C1CC1 1889136209 CAHPUROVMQMXMG-GFCCVEGCSA-N 332.429 1.680 0 40 EDAB Cc1cc(C)n(-c2cc(N3CCN(c4cnccn4)CC3)ncn2)n1 1889138949 KWZJJDSXNATNML-UHFFFAOYSA-N 336.403 1.396 0 40 EDAB O=C(CN1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)NC1CC1 25394737 WCIZHZHWOWXSFV-UHFFFAOYSA-N 349.862 1.695 0 40 EDAB O=C(CNC(=O)OCc1ccccc1)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 240067967 SFRLWTOKNSWFCM-BZUAXINKSA-N 348.399 1.366 0 40 EDAB CCc1ccc(C(=O)N2C[C@@H](C)[C@@]3(CCN(CCOC)C3=O)C2)cn1 1614930963 HAJNCXPOYRYQBK-AUUYWEPGSA-N 345.443 1.601 0 40 EDAB Cc1noc(CC(=O)N2CCc3c(COCC4CC4)cncc3C2)n1 1565545474 GXDKQRWSEIMRAN-UHFFFAOYSA-N 342.399 1.827 0 40 EDAB O=C(C[C@@H](NCCCO)C(=O)O)Nc1ccc(Br)cc1 4939818 JJUGRZRYHQKJLO-LLVKDONJSA-N 345.193 1.203 0 40 EDAB COc1cccc(C(=O)NCCS(=O)(=O)N2CCCCC2)c1 5272925 GVCYRSKYXBDSQC-UHFFFAOYSA-N 326.418 1.241 0 40 EDAB c1cncc(CN[C@H]2CCc3onc(CN4CCOCC4)c3C2)c1 2055734566 KDYAZPURIDPHRK-HNNXBMFYSA-N 328.416 1.549 0 40 EDAB Cc1ccc(C(=O)N2C[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)o1 2055750831 CPIARIBEPGIODN-RDJZCZTQSA-N 327.384 1.708 0 40 EDAB O=C1Nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)[C@H](c2ccco2)N1 38488440 GKHDSOQDASDRMC-ZDUSSCGKSA-N 338.323 1.402 0 40 EDAB O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1n[nH]c2ccccc12 225804237 XELCABULALCAGT-UHFFFAOYSA-N 336.311 1.231 0 40 EDAB CCc1cnc(N2CCN(c3cccc(-n4ccnc4)n3)CC2)nc1 2298063131 LUOCVQXEYGQSEX-UHFFFAOYSA-N 335.415 1.946 0 40 EDAB c1cc(N2CCN(c3ncnc4n[nH]cc34)CC2)nc(-n2cccn2)c1 2298105392 PBMSMDUSBIDRQR-UHFFFAOYSA-N 347.386 1.260 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@](C)(O)c1ccco1 75156276 LGZICSZAAAUSOP-QGZVFWFLSA-N 332.356 1.559 0 40 EDAB COC(=O)[C@@H](NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(C)C 100103495 NUQPTKQWLJVZRL-XEZPLFJOSA-N 347.415 1.175 0 40 EDAB O=C(Nc1nnc2ccccn12)C1CCN(C(=O)c2ccoc2)CC1 30711719 NBMCNXMOBCAHLW-UHFFFAOYSA-N 339.355 1.813 0 40 EDAB Cc1ccc(N2C[C@H](C(=O)N[C@H](C)Cn3cccn3)CC2=O)c(F)c1 31402575 QLFRVAAWVOVBMQ-ZIAGYGMSSA-N 344.390 1.888 0 40 EDAB C[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1nc(C2CC2)no1 40528728 VMUXDZAROWZXBB-JTQLQIEISA-N 327.406 1.263 0 40 EDAB CC(C)c1nnc(NC(=O)C2(NS(C)(=O)=O)CCCCC2)s1 40555785 OPKIDFOHMTUDPE-UHFFFAOYSA-N 346.478 1.852 0 40 EDAB C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N(C)CC(N)=O 52831494 MYFUIERGUUFUEW-GFCCVEGCSA-N 347.415 1.862 0 40 EDAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@H](C(N)=O)C1 52961910 AYOIBLXNTXNMHT-JSGCOSHPSA-N 329.400 1.759 0 40 EDAB COc1ccnc(N[C@H](C(=O)N2CCOCC2)c2ccccc2)n1 53580948 NUOHGLPJCLZSID-HNNXBMFYSA-N 328.372 1.497 0 40 EDAB CN(C)CCOc1ccc(CNC(=O)[C@@H]2CCN(C)C(=O)C2)cc1 53992825 VRYLFPJPTZEJSP-OAHLLOKOSA-N 333.432 1.112 0 40 EDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)Cn1ccnc1 42534826 PIGVKEPDIRXUHQ-GXTWGEPZSA-N 334.445 1.904 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)c1cccc(CN2CCCC2=O)c1 42513212 UKLQUYAONDQPRA-CQSZACIVSA-N 326.400 1.824 0 40 EDAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)N1CCCCC1 42675457 YSTMEJMFYGNIOK-CQSZACIVSA-N 349.460 1.991 0 40 EDAB Cc1ccc(CCC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)cc1 42848957 ODBFSHCOUSOSBK-MRXNPFEDSA-N 343.427 1.764 0 40 EDAB Cc1nccn1-c1cc(CNC(=O)NC2CCC(O)CC2)ccn1 42961768 ILPOJUHPHMIBRP-UHFFFAOYSA-N 329.404 1.678 0 40 EDAB Cc1cc(NC(=O)CSCC(=O)N(C)Cc2ccncc2)no1 47851035 ZIUVQPPCNAMDTK-UHFFFAOYSA-N 334.401 1.708 0 40 EDAB CCN(CC)C(=O)c1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1 24761184 OIZSJOLOOKBDNP-UHFFFAOYSA-N 330.388 1.715 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 24725696 KORRVGRCFOWQQX-AWEZNQCLSA-N 340.464 1.975 0 40 EDAB CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1nccn1C 78898845 JAYICVSTXDJEMO-KBPBESRZSA-N 328.482 1.348 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 25301057 ITWNXOFIRHFNRK-CHWSQXEVSA-N 340.383 1.665 0 40 EDAB CCOC(=O)c1ncn2c(N)c(C(=O)NCC3CCCCC3)nnc12 1414606 CXUIGPZKBOJVPS-UHFFFAOYSA-N 346.391 1.193 0 40 EDAB CC[C@@H](C)NC(=O)CCNC(=O)N[C@H]1CCCN(c2ncccn2)C1 56884944 SUXLGWRGWGPSFK-KGLIPLIRSA-N 348.451 1.049 0 40 EDAB C[C@@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1nnc2n1CCCC2 89913830 ISQLOUWKJOUHDZ-GFCCVEGCSA-N 337.387 1.686 0 40 EDAB Cc1nc(NC(=O)[C@H]2CNC(=O)N2)sc1Cc1ccc(F)cc1 89562595 DEOYQAIFKAUBRZ-LLVKDONJSA-N 334.376 1.801 0 40 EDAB COC(=O)c1cn(Cc2ccc3c(c2)OCO3)cc(C(=O)OC)c1=O 8730413 ZEXLIINFSBGDCK-UHFFFAOYSA-N 345.307 1.199 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H]2CCOc3ccccc32)cc1C(N)=O 26760110 RKOGZIZBCQBBQU-HNNXBMFYSA-N 346.408 1.896 0 40 EDAB Cc1ccnc2nc(C(=O)N(C)Cc3ccc4c(c3)OCO4)nn12 57638750 GNHQQJFPDOJMOV-UHFFFAOYSA-N 325.328 1.434 0 40 EDAB CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cccc(F)c2)c1 12521072 QWSYNJXCPDGNRS-UHFFFAOYSA-N 344.389 1.998 0 40 EDAB COC[C@](C)(CC(=O)OC)NCC(=O)N[C@@H](c1ccccc1)C1CC1 75105685 YSNZAHWKECDJAS-OALUTQOASA-N 348.443 1.812 0 40 EDAB C[C@H](c1cccs1)N(C)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 44893005 RLTYSKYSDKAKSK-WSKFYRRCSA-N 333.413 1.378 0 40 EDAB COc1ccc(C)cc1N[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 58271807 UTEKNOOOTXDHIC-STQMWFEESA-N 340.445 1.450 0 40 EDAB CCOC(=O)CN(Cc1ccccc1)C(=O)CCNC(=O)[C@H]1C[C@@H]1C 58214353 RDECESWPDQBIEI-HOCLYGCPSA-N 346.427 1.741 0 40 EDAB COCCNC(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 58214760 YQQOHGUEVNIHER-GJZGRUSLSA-N 343.383 1.023 0 40 EDAB C[C@@H](NC(=O)NCCCn1cncn1)c1ccc2c(c1)OCCO2 48020983 KMGJIEJMFSQVQL-GFCCVEGCSA-N 331.376 1.500 0 40 EDAB CCCNC(=O)[C@H](C)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 58369198 HVTKGORPDZKWBM-INIZCTEOSA-N 331.460 1.596 0 40 EDAB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C 36264184 HFXAWINHQHIRIY-LBPRGKRZSA-N 328.434 1.448 0 40 EDAB C[C@@H]1CCCc2sc3ncn4nc(C(=O)NCCCO)nc4c3c21 2219747 GWNCGCKMZPLWAX-SECBINFHSA-N 345.428 1.891 0 40 EDAB O=C(NC[C@H](O)c1ccc(O)cc1)C(=O)Nc1cccc2[nH]ccc12 36370079 LAPIIMNGJPXIBI-INIZCTEOSA-N 339.351 1.662 0 40 EDAB biogenic O=C(COC(=O)c1cccc(OC(F)F)c1)NC[C@H]1CCCO1 3232856 MGQJYRCYXCPAJN-GFCCVEGCSA-N 329.299 1.740 0 40 EDAB COc1cc(/C=C/C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc(OC)c1 45750091 YOLKUNPIGITLJM-JZLODUJNSA-N 344.411 1.987 0 40 EDAB Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 45810830 DZKOBZHRHJICID-CQSZACIVSA-N 343.470 1.644 0 40 EDAB O=C(CCc1ccccc1O)N[C@H]1CCCN(c2ncccn2)C1 46424170 HJZNBEPWCZXNPU-HNNXBMFYSA-N 326.400 1.900 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 2648701 YUXJINRBUARPSO-UHFFFAOYSA-N 348.380 1.918 0 40 EDAB O=C(C[C@H]1CCCO1)Nn1cnc2sc3c(c2c1=O)CCCC3 47055425 BNRXPKQNCUXRAU-SNVBAGLBSA-N 333.413 1.976 0 40 EDAB COc1ccc(C(N)=O)c(OCC(=O)NCc2ccccc2F)c1 48261616 RJGWHLXKYUIANF-UHFFFAOYSA-N 332.331 1.628 0 40 EDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nncs2)c1 12755530 CGZHAFVOHKODMC-UHFFFAOYSA-N 326.403 1.397 0 40 EDAB COC[C@H](C)NC(=O)NC(=O)CN1Cc2ccccc2N(C)C[C@H]1C 83248813 KCSAZVHNDLVOKO-UONOGXRCSA-N 348.447 1.188 0 40 EDAB O=C1CN(C(=O)/C=C/c2cc(Br)ccc2F)CCN1 3334348 RKPNLXIGXKJKGK-DAFODLJHSA-N 327.153 1.560 0 40 EDAB Cn1ccnc1N1CCN(C(=O)c2cc(-c3ccco3)on2)CC1 56903698 JGZRYTFSCQRSSA-UHFFFAOYSA-N 327.344 1.631 0 40 EDAB CCOCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10324548 DBGWUPDQGRQXKZ-GFCCVEGCSA-N 340.445 1.554 0 40 EDAB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1 10385093 CLQOEUCDQUZPOW-RYUDHWBXSA-N 340.376 1.318 0 40 EDAB O=C1CN(C(=O)COC(=O)c2ccc(CO)cc2)c2ccccc2N1 3519753 BPAWYLXUEBAYKW-UHFFFAOYSA-N 340.335 1.321 0 40 EDAB COc1ccc(OC)c(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 3907043 HJGQTCIBAYVXTP-CMPLNLGQSA-N 328.415 1.384 0 40 EDAB COc1cc2c(cc1NC(=O)C(=O)NCCO)oc1ccccc12 9303836 WFRWBPXLLNGUKE-UHFFFAOYSA-N 328.324 1.642 0 40 EDAB Cc1nnc(COC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)o1 39501690 SQQCICYHIHAZGW-UHFFFAOYSA-N 339.373 1.017 0 40 EDAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1Cc1ccc(F)cc1 4248595 ACAQYHZJBQOLME-UHFFFAOYSA-N 341.346 1.182 0 40 EDAB Cn1ncc2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ncnc21 65449057 DHRQKGFWQIIPBV-LLVKDONJSA-N 332.408 1.857 0 40 EDAB NC(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 65565197 UCRVSDZLGOPAJL-VXGBXAGGSA-N 325.206 1.934 0 40 EDAB CN1CCN(c2ccc(CNCc3cccc4c3OCO4)cn2)CC1 65563853 NNOMGOMUIUGAHA-UHFFFAOYSA-N 340.427 1.852 0 40 EDAB C[C@H](NC(=O)CC1CCCCC1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 65537906 XTXPDIDIRXWWIX-JSGCOSHPSA-N 344.477 1.012 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Cn2cccn2)cc1 14230895 SLYNBELTGYRUGQ-UHFFFAOYSA-N 331.401 1.774 0 40 EDAB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc21 21715181 RPZFHMAZQGIYEO-LLVKDONJSA-N 338.429 1.398 0 40 EDAB Cc1ccc(-n2nnnc2SCC(=O)NC(=O)NC(C)C)c(C)c1 5413983 NDKGVTPTGKPJRM-UHFFFAOYSA-N 348.432 1.605 0 40 EDAB CN(C(=O)C1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 6551401 QUBINSYVYOPRGK-UHFFFAOYSA-N 342.399 1.320 0 40 EDAB CC/C(NC[C@@H]1CCCO1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 5625192 AYNKLWZMSZIXKX-NPIURYIMSA-N 343.383 1.702 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 6728888 VUVHHINAIQNYSB-UHFFFAOYSA-N 339.373 1.031 0 40 EDAB CC(C)[C@H](C(=O)N1CCC[C@H](CS(N)(=O)=O)C1)c1ccccc1 80121311 PCNCTRVIIGNRKS-HOCLYGCPSA-N 338.473 1.953 0 40 EDAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCNC(=O)CC3)c12 71839573 QZADOVXLNWFZOQ-UHFFFAOYSA-N 327.388 1.116 0 40 EDAB C[C@@H](CN1CCCC1=O)NCc1c[nH]nc1-c1ccc2c(c1)OCO2 71825282 IZFGYTBFYNCZKA-LBPRGKRZSA-N 342.399 1.906 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)c1cccnc1N(C)C)C2 71860215 QAVZALUULNLXDO-UHFFFAOYSA-N 326.404 1.202 0 40 EDAB O=C(Cc1csc(N2CCCC2=O)n1)N1CCN2CCCC[C@@H]2C1 71839964 XPGCVCHCUQMQNR-CQSZACIVSA-N 348.472 1.509 0 40 EDAB CC(=O)NC[C@@H]1CN(Cc2ccc(F)cc2Br)CCO1 71910691 FAKZCBAVQCWEQE-CYBMUJFWSA-N 345.212 1.925 0 40 EDAB CCC(=O)OCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 7737895 GALJHBOXHDMLQC-UHFFFAOYSA-N 339.417 1.760 0 40 EDAB O=C(NCCN1CCN(C(=O)C2CCC2)CC1)Nc1ccc(F)cc1 71908618 MKJOZWMJSXCPCB-UHFFFAOYSA-N 348.422 1.892 0 40 EDAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)NC2CC2)cc1 16245483 BWEFUEGAYGUKMI-SNVBAGLBSA-N 333.417 1.489 0 40 EDAB COC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 8268604 BWDBKSKUQCTEHZ-RYUDHWBXSA-N 336.388 1.208 0 40 EDAB CN(C)C[C@@H]1CN(CC(=O)NCC2(c3ccccc3)CCC2)CCO1 70040052 YVLYKTZINHFOJU-GOSISDBHSA-N 345.487 1.487 0 40 EDAB O=c1oc(-c2cccs2)nn1Cn1nnc2ccccc2c1=O 8324700 YXCHDDXSMNYXLY-UHFFFAOYSA-N 327.325 1.176 0 40 EDAB COCc1cccc(C(=O)NCC(C)(C)N2CCS(=O)CC2)c1 74135683 KVJVJXRJJAUEEM-UHFFFAOYSA-N 338.473 1.406 0 40 EDAB CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(CC)cc2)CC1 17071133 MFKLIZOSKGHRKS-UHFFFAOYSA-N 339.461 1.675 0 40 EDAB C[C@@](O)(CNC(=O)Nc1ccc(-n2cccn2)nc1)c1ccco1 95962253 KPQPEPVRVHQULP-MRXNPFEDSA-N 327.344 1.890 0 40 EDAB Cc1noc(C)c1CC(=O)N1CSC[C@H]1C(=O)NC(C)(C)C 69533232 FCGHVFFSWJVYBW-LBPRGKRZSA-N 325.434 1.650 0 40 EDAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCCS(C)(=O)=O 69515008 QRHKOPUYNLRNBX-VIFPVBQESA-N 339.335 1.634 0 40 EDAB COCCOc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1 69599382 WBVHDCGBPULJAW-CQSZACIVSA-N 342.461 1.427 0 40 EDAB CCN1C[C@H](C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)CC1=O 91767834 GYXLWOCCZIZFMS-IFUGULHKSA-N 338.354 1.468 0 40 EDAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1ccc(C(F)(F)F)n1 69624974 VMJNHZRUUJDKMD-NEPJUHHUSA-N 330.354 1.987 0 40 EDAB CC(C)n1nccc1NC(=O)CN1CCC[C@H](Cn2cncn2)C1 69622442 RUCMXTRDKWEDDL-AWEZNQCLSA-N 331.424 1.406 0 40 EDAB CNS(=O)(=O)CC(=O)N1CCC[C@H]1Cc1ccc2ccccc2c1 95964387 XVLYTXZMEFCFGM-KRWDZBQOSA-N 346.452 1.923 0 40 EDAB NC(=O)C1CCN(c2ncccc2CNc2cccc(F)n2)CC1 69769737 PHCUOTKRYOENNP-UHFFFAOYSA-N 329.379 1.930 0 40 EDAB Cn1ncc2c(N3CCc4n[nH]cc4C3)nc(-c3cccnc3)nc21 72168846 JWEMTZADDBHVCL-UHFFFAOYSA-N 332.371 1.711 0 40 EDAB CC(=O)[C@H]1[C@H]2COCCN2C(=O)[C@@H]1Cc1nc2ccccc2s1 95946503 VOVOQXBCYGNZMA-AXAPSJFSSA-N 330.409 1.901 0 40 EDAB CCCc1nc(CN2CCN(c3ccc4nncn4n3)CC2)cs1 69876816 JAVTWPINIIWDRR-UHFFFAOYSA-N 343.460 1.856 0 40 EDAB O=[S@@](CCN[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 69875832 LGOCPBFOSWWIGO-NPMXOYFQSA-N 330.457 1.843 0 40 EDAB CCCS(=O)(=O)CC(=O)Nc1ccnn1CCc1ccccc1 69895360 SKWANKFVWACDCB-UHFFFAOYSA-N 335.429 1.889 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](Nc2ccnc(-c3ccccc3)n2)C1 69810936 NOQANMCLLDCNOS-CQSZACIVSA-N 332.429 1.980 0 40 EDAB Cc1nc(Cl)cc(NCCS(=O)(=O)N2CCSCC2)n1 69972654 BFNWSXQAXYXFND-UHFFFAOYSA-N 336.870 1.229 0 40 EDAB COCCN1CCN(Cc2nnc(-c3ccc(OC)cc3)o2)CC1 69951403 DHHBTEFZEZAVDU-UHFFFAOYSA-N 332.404 1.509 0 40 EDAB CCOC(=O)c1ccc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)cc1 8748012 WLYYSQUPVRZVNO-UHFFFAOYSA-N 347.371 1.522 0 40 EDAB Cc1cc(-c2cccc(F)c2)nnc1N(C)CCNS(C)(=O)=O 84116927 PCGQZVGONNGTMW-UHFFFAOYSA-N 338.408 1.577 0 40 EDAB CCO[C@@H](C)c1noc(CNC(=O)[C@@H]2Cc3ccccc3CN2)n1 95971157 ODYXMFCNTJPVRM-FZMZJTMJSA-N 330.388 1.498 0 40 EDAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)NC1CCCCC1 408617429 ALLHUKGQPFOQMU-WQAPVAGSSA-N 328.412 1.488 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1nnn(-c3ccccc3)c1C1CC1)C2 71186506 OECSXDRZCGWVNJ-UHFFFAOYSA-N 349.398 1.701 0 40 EDAB CC(C)n1c(=O)c2ccccc2n(CC(=O)N2CCCCC2)c1=O 71282106 TZWLOPLKPNYLBS-UHFFFAOYSA-N 329.400 1.757 0 40 EDAB Cc1nc2n(n1)C[C@@H](NCC(=O)N1CCc3sccc3C1)CC2 72268045 IFDKZXQHCYNHFS-ZDUSSCGKSA-N 331.445 1.137 0 40 EDAB CC(C)(C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)n1cc(Cl)cn1 72269544 DETFFZCINNQNHO-KGLIPLIRSA-N 340.855 1.329 0 40 EDAB O=C(O)C1CCN(C(=O)CN2C(=O)CSc3ccccc32)CC1 72291190 KLENPMWHIZCIEZ-UHFFFAOYSA-N 334.397 1.449 0 40 EDAB Cc1nnc2n1C[C@H](C(=O)Nc1ccc3nc(N(C)C)oc3c1)CC2 84296902 QWAKBNWTBSJTDS-LLVKDONJSA-N 340.387 1.995 0 40 EDAB Cc1cnc([C@@H](C)CNC(=O)N[C@H](C)CN2CCN(C)CC2)s1 97110259 PMZFEHKFHDGBBG-QWHCGFSZSA-N 339.509 1.490 0 40 EDAB COCCCN(C)CCNC(=O)Nc1ccc(C(N)=O)c(Cl)c1 72303912 ASTQYCLMSNLONL-UHFFFAOYSA-N 342.827 1.529 0 40 EDAB CS(=O)(=O)NCCCNc1nc(-c2ccc(Cl)cc2)no1 89486783 CMKKUHHTWYPJCH-UHFFFAOYSA-N 330.797 1.741 0 40 EDAB O=C(CN1Cc2ccccc2[C@@H](n2cccn2)C1)NC[C@@H]1CCCO1 95398610 QZDNGWYPAPBDSO-WMZOPIPTSA-N 340.427 1.583 0 40 EDAB O=C(CCn1ccccc1=O)N1CCC[C@@H]1c1noc(C2CC2)n1 84606394 RKGMEFQLQDGCGD-CYBMUJFWSA-N 328.372 1.863 0 40 EDAB CCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F 84742886 PRCBSJRPWQFNFM-UHFFFAOYSA-N 344.408 1.975 0 40 EDAB COC(=O)c1cccc(CS(=O)(=O)N[C@H](C)CCN(C)C)c1 89895440 RSKWMUPGLVXMME-GFCCVEGCSA-N 328.434 1.233 0 40 EDAB CC[C@@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@H]1N(C)C 84735569 NSOWDLVAVIQYBX-GDBMZVCRSA-N 343.427 1.902 0 40 EDAB O=C(c1cc2ccccc2[nH]1)N1CC[C@H](S(=O)(=O)NC2CC2)C1 95434488 TUDGKSNHVQCFQH-ZDUSSCGKSA-N 333.413 1.464 0 40 EDAB Cc1cc(C)n([C@@H](C)C(=O)NC[C@@H](O)COc2ccc(F)cc2)n1 95417357 UNKFCJKJFCJFNV-DZGCQCFKSA-N 335.379 1.756 0 40 EDAB NC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)O1 95414186 BQSKMFIPCBPXSZ-ZYHUDNBSSA-N 330.306 1.397 0 40 EDAB C[C@@H](CO)N(C)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 89901469 KNFOVZAFGGMRJI-NSHDSACASA-N 349.456 1.566 0 40 EDAB Cc1nnc(CN2CCN(CCO[C@H]3CCCC[C@@H]3C)CC2)n1C 75605791 KOAZTVPBQDHZCB-RDJZCZTQSA-N 335.496 1.836 0 40 EDAB Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCCOC1 547697901 RMPQSLQLLOYFBL-QEJZJMRPSA-N 325.384 1.438 0 40 EDAB Cc1cc(C)n(CCCNC(=O)c2cnc3sccn3c2=O)n1 28233424 DWMPCFQBJDNRHH-UHFFFAOYSA-N 331.401 1.389 0 40 EDAB O=C1O[C@@]2(C[C@@H]1n1cnc3ccccc3c1=O)C(=O)Nc1ccccc12 1592496 WXXWBNXZGRMTHR-HNAYVOBHSA-N 347.330 1.732 0 40 EDAB biogenic CC(C)[C@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 78452612 DZIAXRGWMWKOMO-MAZHCROVSA-N 343.427 1.878 0 40 EDAB Cc1nc(NCc2ccccn2)cc([C@H]2CCN2S(C)(=O)=O)n1 72387144 MXSYQBIRFLNZHG-CQSZACIVSA-N 333.417 1.499 0 40 EDAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CCN(C)CC1 38752145 VNTSKZFEQUDBED-QGZVFWFLSA-N 333.476 1.906 0 40 EDAB COc1cc(/C=C/C(=O)NCc2nncn2C2CC2)cc(OC)c1 78603841 CGMVQTKBCJHHDI-ZZXKWVIFSA-N 328.372 1.960 0 40 EDAB Cc1ncc(CN(C)C(=O)c2ccnc(N3CCN(C)CC3)c2)s1 78998996 AWJGERBSGMFEDM-UHFFFAOYSA-N 345.472 1.871 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC 217428735 QYNHEBGKCMBDEJ-NSHDSACASA-N 344.433 1.910 0 40 EDAB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(N(C)C)cc1 71980094 KRCPYCVXYCKBDE-OAHLLOKOSA-N 347.415 1.100 0 40 EDAB COc1cc(C(F)(F)F)nc(NC(=S)NC[C@H]2CCCO2)n1 225909849 XVYWLNPUOXMNIM-SSDOTTSWSA-N 336.339 1.969 0 40 EDAB CCNC(=O)c1nsc(C(=O)NCc2ccc3c(c2)OCO3)c1N 49006210 NYXDJUQGYQIKKM-UHFFFAOYSA-N 348.384 1.134 0 40 EDAB O=C(O)[C@@H]1c2ccccc2CCN1C(=O)CCn1ccccc1=O 324717150 DVFTUJWRQDFBAG-KRWDZBQOSA-N 326.352 1.449 0 40 EDAB Cc1nccn1CCCNC(=O)COc1ccn(-c2ccccc2)n1 226853266 CDYSHUZEPMEBIV-UHFFFAOYSA-N 339.399 1.963 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)C1 227161733 BIHWQWJYUFAASQ-TXEJJXNPSA-N 338.429 1.708 0 40 EDAB C[C@](CO)(NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1CC1 195540202 ICRQNYIBOZLJDU-QFBILLFUSA-N 346.475 1.754 0 40 EDAB CCNS(=O)(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 192934924 CUZBDKMAQCIBSO-LBPRGKRZSA-N 332.495 1.060 0 40 EDAB O=C([C@H]1CCCO1)N1CCC2(CC1)COCCN(c1ncccn1)C2 96240018 VEVYWXSMPICEOL-OAHLLOKOSA-N 346.431 1.101 0 40 EDAB Brc1csc2cnc(NCCN3CCOCC3)nc12 578765776 NODMZUBXBQBQTO-UHFFFAOYSA-N 343.250 2.198 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]2O1)N1CCCCO1 96216982 QVKQPYAEBSVDSI-YESZJQIVSA-N 331.416 1.615 0 40 EDAB CO[C@@H]1CCN(Cc2cnn(C)c2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 96108599 ZBEVPXAVCVKGDT-RCCFBDPRSA-N 330.432 1.734 0 40 EDAB COCC1(O)CCN(C(=O)C[C@H](C)NC(=O)C2CCCC2)CC1 330495722 SRMHIIDNCPOVHI-ZDUSSCGKSA-N 326.437 1.071 0 40 EDAB CS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccncc3)C2)O1 96208354 VROXISMHOMLJKR-HZPDHXFCSA-N 339.461 1.144 0 40 EDAB COCCN1CC[C@@]2(COCCN(Cc3ccc(OC)cc3)C2)C1 96062310 YSLDMFZEJGEHKV-LJQANCHMSA-N 334.460 1.866 0 40 EDAB C[C@@H](NS(C)(=O)=O)c1c(-c2ccc(F)cc2)noc1C(=O)O 96296873 BZOLREXKBVIDFK-SSDOTTSWSA-N 328.321 1.789 0 40 EDAB biogenic,in-vitro NC(=O)[C@@H]1CCC[C@@H]1NC(=O)COc1ccccc1Br 96486531 RWECDUJWUAIYEM-KOLCDFICSA-N 341.205 1.598 0 40 EDAB Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1ccncc1)CC2 96187478 DAULTEKLKPGZST-UHFFFAOYSA-N 325.416 1.609 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cnccn1)C2 96065019 DPBVLBJZRJBCRS-SJLPKXTDSA-N 348.447 1.066 0 40 EDAB COc1cc(C)ccc1S(=O)(=O)N1CC[C@H](OC)[C@H]2OCC[C@@H]21 96219378 YJHUEWAQLWSTLN-XEZPLFJOSA-N 341.429 1.571 0 40 EDAB Cc1ccc(CN2Cc3nccn3C[C@H](CN3CCOCC3)C2)o1 96066994 IWOIUFOYTPFXPC-MRXNPFEDSA-N 330.432 1.749 0 40 EDAB Cn1cc(CN2CCC3(CC[C@H](C(=O)N4CCCC4)O3)CC2)cn1 96061228 VAQNIILKQPZZCM-MRXNPFEDSA-N 332.448 1.556 0 40 EDAB Cc1ccc(=O)n(CC(=O)NC[C@H](C)Oc2ccc(Cl)cc2)n1 96431971 XCXGKDILSNBNRK-LBPRGKRZSA-N 335.791 1.789 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1[C@H](C)CC(=O)C[C@@H]1C1CC1 585114710 UITFJNDSYRPPMK-YMTOWFKASA-N 325.434 1.558 0 40 EDAB Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C[C@H]2CCOC2)n1 96064737 FGVIAPFNXRVEDB-KBAYOESNSA-N 329.444 1.992 0 40 EDAB Cn1cc(N2CC3(CCN(CC4CCOCC4)CC3)OCC2=O)cn1 96201456 PDQQVSFLFKMDNL-UHFFFAOYSA-N 348.447 1.045 0 40 EDAB CS(=O)(=O)c1snnc1[C@H]1CCCN(C[C@H]2CCC=CO2)C1 247553091 WKRQPYILGBZGOA-NWDGAFQWSA-N 343.474 1.814 0 40 EDAB CN(C)C(=O)c1cc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n[nH]1 257297396 RHCBNUPKMUBVIL-ZDUSSCGKSA-N 344.390 1.809 0 40 EDAB COCc1cccc(C(=O)N2CCOC[C@H]2c2cc(O)nc(C)n2)c1 257261424 LHFZHNNBAAMRAC-INIZCTEOSA-N 343.383 1.851 0 40 EDAB CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)c1cncs1 257246553 IUQVRIZYYCXTKV-OAHLLOKOSA-N 333.417 1.037 0 40 EDAB Cc1nn(C)c(C)c1-c1cncc([C@H]2CCCN(S(C)(=O)=O)C2)n1 257235845 GZTRCWLXVPKCCH-ZDUSSCGKSA-N 349.460 1.633 0 40 EDAB Cc1cccc(N2CCC[C@H](N(C)C(=O)c3ccc(=O)[nH]n3)C2)n1 257238270 HKFPTVRKTZSLEK-ZDUSSCGKSA-N 327.388 1.214 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1 257232995 GNGHTDANUJNJCO-MRXNPFEDSA-N 343.383 1.713 0 40 EDAB Cc1cc(C)nc(C[C@H]2COCCN(C(=O)c3cccnc3)C2)n1 257300735 RVMOEQIOVCONEI-OAHLLOKOSA-N 326.400 1.820 0 40 EDAB CCc1noc(CCC(=O)N2CCO[C@H](c3nc(C)cn3C)C2)n1 257252866 JWKQVDJHGHEMFE-LBPRGKRZSA-N 333.392 1.207 0 40 EDAB C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 26882019 AIBNCAFIBOLFPI-JTQLQIEISA-N 336.369 1.520 0 40 EDAB CN1CC[C@@H](O)[C@@H]2[C@@H](C1)N(Cc1c[nH]cn1)C[C@H]2c1ccccc1 257203293 APKKIJGVTOKBOL-MANSERQUSA-N 326.444 1.690 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2ccc(-c3cc[nH]n3)nc2)C1 257300777 RVQLVEOWWLDSEN-ZDUSSCGKSA-N 335.433 1.143 0 40 EDAB OC1(CN2CCN(c3cccs3)CC2)CCC2(CC1)OCCO2 1615002735 NMYXIKCYFSXRNX-UHFFFAOYSA-N 338.473 1.918 0 40 EDAB CC(C)CC(=O)N1CCN(CC[C@@H](C(F)F)N2CCOCC2)CC1 1615587563 HPVSGDZBPXQNEU-HNNXBMFYSA-N 347.450 1.533 0 40 EDAB Cc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1N1CCCC1=O 96025615 FIUOIEBWHADIIA-UHFFFAOYSA-N 334.401 1.656 0 40 EDAB C[C@H](C(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1)n1cccn1 390830684 MQNBTGKXKJDJGC-ZBFHGGJFSA-N 347.440 1.833 0 40 EDAB CCC[C@]1(COC)CCCN1S(=O)(=O)c1cncc(C(=O)O)c1 570088541 IYFWMXAGFJZBIZ-OAHLLOKOSA-N 342.417 1.750 0 40 EDAB COC[C@]1(CC(=O)NCCn2nc(C)cc2C)CCCN1C(C)=O 585280618 MCXXITZDGHTCOW-QGZVFWFLSA-N 336.436 1.034 0 40 EDAB O=C(O)CN1CC[C@H](Oc2nc(-c3ccccc3Cl)no2)C1=O 663218903 FAQRXRWELVPKBC-JTQLQIEISA-N 337.719 1.454 0 40 EDAB Cc1ccccc1OC[C@]1(O)CCN(C(=O)CCCn2cncn2)C1 585275429 AVONSABPFFOZMP-SFHVURJKSA-N 344.415 1.409 0 40 EDAB CC(C)CN1C[C@@H]2[C@H](C1)C(=O)NC21CCN(c2ncccn2)CC1 585106103 LTQNHEYQDNRGIP-LSDHHAIUSA-N 329.448 1.149 0 40 EDAB Cc1nc(C)n(CC(=O)N2CC[C@H](Cc3ccccc3)[C@@H](O)C2)n1 585280433 IVXKZOGDVUIBLC-SJORKVTESA-N 328.416 1.347 0 40 EDAB Cn1cc(C(=O)NC[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 585286241 VRIDQARLELALAG-KBRIMQKVSA-N 329.400 1.759 0 40 EDAB CCOC[C@@H]1CN(C)C2(C1)CN(S(=O)(=O)c1ccccc1F)C2 585093969 UUFZISIPFDJDMN-ZDUSSCGKSA-N 342.436 1.557 0 40 EDAB CC(=O)NC1CCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 585289049 MTZRUUDGFJZSJC-IPMKNSEASA-N 332.444 1.948 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)c3cncnc3C)C2)c1 585269136 KKIQZWNSKMRCLT-GOSISDBHSA-N 327.384 1.749 0 40 EDAB O=C(/C=C/c1ccccc1)NCCS(=O)(=O)N1CCSCC1 69874324 UHAIRIIJQXGZAA-VOTSOKGWSA-N 340.470 1.195 0 40 EDAB O=S(=O)(NCCc1nnc2n1CCC2)c1ccc(F)c(Cl)c1 44936159 PGPVXKAYRJLGCR-UHFFFAOYSA-N 344.799 1.538 0 40 EDAB NC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1nnc(-c2ccccc2)s1 75500548 RJFUATFXOXLPOA-MNOVXSKESA-N 331.401 1.981 0 40 EDAB Cn1cnc(CN2CC[C@@H](Oc3ccccc3)[C@H](CC(N)=O)C2)c1 1615192466 UGWQAFHGCRPITQ-RHSMWYFYSA-N 328.416 1.565 0 40 EDAB O=C(c1ccnnc1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1 1615157206 CLXRAESWBIDBAU-JKSUJKDBSA-N 337.420 1.011 0 40 EDAB CN(CCNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccn1 1615586140 QMWGESIQDSFEIR-JKSUJKDBSA-N 331.441 1.993 0 40 EDAB Cc1cc(C)cc(NC(=O)CSc2nnc3[nH]c(=O)c(C)nn23)c1 5144037 WEERSXVBDSJMSP-UHFFFAOYSA-N 344.400 1.469 0 40 EDAB COc1cccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 13541146 AEWXHZOEABLVSI-UHFFFAOYSA-N 339.355 1.291 0 40 EDAB CC(C)C(=O)N1CC(C(=O)N[C@@H](CCN(C)C)c2ccccc2)C1 19747566 QFYSYRDUCZUMOX-KRWDZBQOSA-N 331.460 1.910 0 40 EDAB O=C1[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100376683 DAWJZTJNMMPJLJ-OZTPJHRESA-N 339.269 1.511 0 40 EDAB CN([C@@H](Cc1ccccc1)C(=O)O)S(=O)(=O)N1CCCCCC1 567808619 WVPFAIJXSGEVRU-HNNXBMFYSA-N 340.445 1.735 0 40 EDAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC1CCCCC1 21117186 PNYXGPZUTOWHLZ-UHFFFAOYSA-N 329.400 1.919 0 40 EDAB CN(CC[C@@H]1CCOC1=O)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 583623065 NZHYVKJJODEEQZ-PMPSAXMXSA-N 336.411 1.274 0 40 EDAB C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)NC1CC1 4546415 CUTNDVQRJLUMRE-TVQRCGJNSA-N 334.397 1.700 0 40 EDAB CC(=O)Nc1ccc(CC(=O)N2CCN(c3cnccn3)CC2)cc1 11544999 HPZBZSMMADDSRZ-UHFFFAOYSA-N 339.399 1.326 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccsc2)CC1 15365213 LFZLLBVELCDEBY-UHFFFAOYSA-N 341.458 1.859 0 40 EDAB CC(C)(C)NC(=O)CN1CCN(Cc2nnc3n2CCCCC3)CC1 40488805 YSFDECVHPUVCSJ-UHFFFAOYSA-N 348.495 1.037 0 40 EDAB Cc1nc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)cs1 1565544912 VAWMQAXSSNOMBR-MBNYWOFBSA-N 335.429 1.207 0 40 EDAB C[C@]1(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)CC=CCC1 1565555343 XUXDYSVFXVYTGE-OLMMMNRUSA-N 332.444 1.875 0 40 EDAB Cc1cccnc1CN1CCC(C(=O)N2CCC2)(n2cccn2)CC1 2055772768 AZIHTHHBFGDYHR-UHFFFAOYSA-N 339.443 1.810 0 40 EDAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2cnn(C)c2)C1 2055747558 GVWJTQSJEGIXHL-QGZVFWFLSA-N 331.395 1.362 0 40 EDAB CC(C)CN(C)C(=O)c1ncn2c1CC[C@@H](C(=O)NC1CCC1)C2 2055717975 QCSUERPMLKTMFC-CYBMUJFWSA-N 332.448 1.842 0 40 EDAB CCn1cc(CN2CC[C@]3(CCC[C@@H](CN4CCOCC4)O3)C2)cn1 2055822688 COTPLMKANOQBKW-RBUKOAKNSA-N 348.491 1.749 0 40 EDAB COc1ccccc1S(=O)(=O)NCCn1cnc(C2CC2)cc1=O 575413787 WYQOOTNBWCAICO-UHFFFAOYSA-N 349.412 1.108 0 40 EDAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](Oc2ncccn2)C1 575610722 OIINQPMNTXDMNF-GFCCVEGCSA-N 339.804 1.972 0 40 EDAB Cc1cc(S(=O)(=O)NCc2cn(-c3cccnc3)nn2)ccc1F 575618854 QCZHDPFLYBOMAR-UHFFFAOYSA-N 347.375 1.588 0 40 EDAB CC(=O)N1CCC[C@@H](CN2CCC(Cn3nc(C)ccc3=O)CC2)C1 585502755 XOJPKGQKMVDJCS-SFHVURJKSA-N 346.475 1.522 0 40 EDAB C[C@@H](O)CN[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O 5258278 HUQIENLDSQGDSV-HQJQHLMTSA-N 335.187 1.746 0 40 EDAB Cc1ccc(O)c(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c1 50177903 RHXGEDPIPPZKSQ-HNNXBMFYSA-N 338.367 1.759 0 40 EDAB Cn1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1=O 30569044 OYBITHPQUSPCJS-UHFFFAOYSA-N 325.412 1.911 0 40 EDAB CSCC[C@H]1NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 40159022 VQRKGKPYFAIOIJ-CYBMUJFWSA-N 339.461 1.667 0 40 EDAB C[C@@H]1NC(C(=O)NCCCOCC2CC2)=NN(c2ccccc2)C1=O 40145298 XUUJOIHBRUTKOC-ZDUSSCGKSA-N 344.415 1.258 0 40 EDAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(CC(=O)NCc2ccco2)C1 51055989 AYMVATCVJFNBHC-CABCVRRESA-N 335.448 1.913 0 40 EDAB C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 40513637 FGVVWCDSXKDGIS-GFCCVEGCSA-N 337.401 1.411 0 40 EDAB CC(C)N(C(=O)CN1CCC[C@H](C(=O)Nc2cnccn2)C1)C(C)C 40554283 ZDKTZSZTHONGTQ-HNNXBMFYSA-N 347.463 1.773 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)cc1Cl 40527161 MNQJDJUKQAGRED-LLVKDONJSA-N 332.809 1.296 0 40 EDAB Cc1nc(C)c(CC(=O)NCCOc2cccc(Cl)c2)c(=O)[nH]1 40536177 CCIYPOPSEXQWAM-UHFFFAOYSA-N 335.791 1.778 0 40 EDAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)NC1CCC(O)CC1 51203034 QYNNLMOKOWGBHS-DHZHZOJOSA-N 326.400 1.759 0 40 EDAB Cc1nc([C@H]2CCCN2CC(=O)/N=c2\cc[nH]n2[C@@H](C)C2CC2)no1 102097115 ODQNURFOEQAPFW-KDHSUTEESA-N 344.419 1.743 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)c(C)c1C 41092079 KQWWXFFFVRADHU-UHFFFAOYSA-N 342.461 1.001 0 40 EDAB O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 32912370 DXURWXYRBFAVQZ-LDYMZIIASA-N 330.203 1.599 0 40 EDAB Cn1c2c(c(=O)n(C)c1=O)[C@@H]1c3ccccc3OC[C@@H]1C(C)(C)O2 489951 HOCUKQUIIIWNJY-WCQYABFASA-N 328.368 1.396 0 40 EDAB O=C(CSc1ccccc1)NCCCn1nc2ccccn2c1=O 53157681 SFORJBSFHRZCFE-UHFFFAOYSA-N 342.424 1.795 0 40 EDAB O=c1/c(=C/c2cccs2)sc2n1CN(c1cccc(F)c1)CN=2 521301 YRVOAZQRXGRGLT-ZSOIEALJSA-N 345.424 1.994 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cn2)C1 53744970 QLCBOFSAVRGUHP-OAHLLOKOSA-N 345.447 1.030 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1cccnc1)C2=O 23874586 BDCILJFVSUTIGY-FZKQIMNGSA-N 344.415 1.241 0 40 EDAB CCONC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1 9114125 FVQUZEVQMJNULC-UHFFFAOYSA-N 342.417 1.597 0 40 EDAB Cc1cnn([C@H]2CCCN(C(=O)CNC(=O)c3ccccc3)C2)c1 105885827 KOSQZMBJOXSBAS-INIZCTEOSA-N 326.400 1.785 0 40 EDAB COc1ccccc1OCCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 72268926 DMMSRZWDAOBOFG-HZPDHXFCSA-N 348.443 1.522 0 40 EDAB Cc1nc(C)c(CNC(=O)NC[C@H](C)N2CCOC[C@@H]2C)s1 78942289 LHGFYQKBMHCQOV-QWRGUYRKSA-N 326.466 1.668 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 25047387 OAAQZUMEWGLFNR-UHFFFAOYSA-N 348.428 1.014 0 40 EDAB Cc1ccnc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 12533668 SJOAKIZLBOEOSE-UHFFFAOYSA-N 330.388 1.829 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2cccc(N(C)C)c2)NC(=O)NC1 12554950 IVPSACWVCCMDOM-UHFFFAOYSA-N 347.371 1.039 0 40 EDAB COCCNC(=O)[C@H](OC(=O)C1=Cc2ccccc2OC1)C(C)C 4982328 KILMYLIEDDDYPC-MRXNPFEDSA-N 333.384 1.793 0 40 EDAB COc1ccc(NS(=O)(=O)c2cc(C(N)=O)sc2C)cc1 6679910 BUQNBOPUCHMCHN-UHFFFAOYSA-N 326.399 1.965 0 40 EDAB O=C(C1CCOCC1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108530284 FGYDTEJRGKOKHB-ROUUACIJSA-N 345.443 1.310 0 40 EDAB O=c1n(CN2CCN(c3ccccc3F)CC2)nc2n1CCCCC2 12543260 PPKSKJMWZKQFHM-UHFFFAOYSA-N 345.422 1.690 0 40 EDAB CN(C)C(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 8194388 AFYLARFOZOIQFU-UHFFFAOYSA-N 343.474 1.437 0 40 EDAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2 8195528 GVRQDZCOBBQEHV-MRVPVSSYSA-N 334.401 1.893 0 40 EDAB CN(C(=O)Cn1c(=O)n(C)c(=O)c2sccc21)c1ccccc1 57426464 KQFVDIXHKYKUFH-UHFFFAOYSA-N 329.381 1.425 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)Cn2c(C)nc3ccccc32)CC1 72268903 ZQZXYWCFEXNQFU-OAHLLOKOSA-N 330.432 1.260 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2cccs2)CC1 27363813 VMIYIGWOFUBHPF-LBPRGKRZSA-N 347.492 1.460 0 40 EDAB NC(=O)CSc1ccccc1C(=O)Nc1ccc2oc(=O)[nH]c2c1 44755318 CILJFTJLONJCCE-UHFFFAOYSA-N 343.364 1.951 0 40 EDAB Cc1noc(CCCC(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)n1 72235426 VIFAMWNHOZWEGB-CQSZACIVSA-N 332.408 1.773 0 40 EDAB CC(C)[C@@H](NC(=O)CN1CCCC[C@@H]1C(N)=O)c1ccc(F)cc1 44891973 BDLYZOGGIZXBMI-NVXWUHKLSA-N 335.423 1.979 0 40 EDAB COC(=O)CCN(CC(=O)NC(=O)NCc1ccco1)CC(C)C 58210264 DGTOSEYSQXORCN-UHFFFAOYSA-N 339.392 1.127 0 40 EDAB CCOC(=O)CN(CCOC)CC(=O)Nc1ccc(F)cc1F 58210259 CFXKXCJOHHPSGZ-UHFFFAOYSA-N 330.331 1.415 0 40 EDAB NC(=O)Cn1ccc(NC(=O)/C=C/c2ccccc2OC(F)F)n1 58246934 OCHFCUKILSNURP-AATRIKPKSA-N 336.298 1.622 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)c1c[nH]nc1-c1ccc(F)cc1 44943347 QIWOSSAIPPKHDP-GFCCVEGCSA-N 332.379 1.666 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNC1CCN(C2CC2)CC1 58394358 JKYXLTLOVXOQKO-UHFFFAOYSA-N 333.480 1.282 0 40 EDAB CCCNC(=O)[C@H](C)N1CCN(C(=O)Cc2ccccc2C)CC1 58378413 FZZSWGCRHPLZPJ-INIZCTEOSA-N 331.460 1.596 0 40 EDAB C[C@H](Nc1cccc(CN2CCCC2=O)c1)C(=O)N1CCNC1=O 28387959 YVCXEYQFYNXMBW-LBPRGKRZSA-N 330.388 1.161 0 40 EDAB CN(C)c1cccc(CNC(=O)NCc2csc(N(C)C)n2)n1 95437639 DEJNFHQOQQOYDR-UHFFFAOYSA-N 334.449 1.670 0 40 EDAB O=C(NCCn1ccnc1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 46432125 WGRWLVUTTHWGFW-LLVKDONJSA-N 334.326 1.331 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCc1ccc(Cl)cc1 2658222 HOSYIONUHVMJRO-KBPBESRZSA-N 332.787 1.907 0 40 EDAB CC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 3287590 MWUJERIQCPAPLD-UHFFFAOYSA-N 341.205 1.519 0 40 EDAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1 24256811 GVSKUJSCVDYQTA-UHFFFAOYSA-N 334.353 1.373 0 40 EDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 48274991 IWGMUCDPBTYHSB-QWRGUYRKSA-N 332.447 1.001 0 40 EDAB Cc1ccc(CN2C[C@@H](C(=O)NCCCn3cncn3)CC2=O)cc1 48288505 RCIACBFINHBJPV-INIZCTEOSA-N 341.415 1.142 0 40 EDAB C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(F)cc1 12761875 MMAACOSAVSLGAT-SNVBAGLBSA-N 329.335 1.147 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC 3363725 FMAJURYAYDEFQB-HNNXBMFYSA-N 348.399 1.167 0 40 EDAB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC(C)(C)C 3433682 CSHNYQUFMSWZCN-SNVBAGLBSA-N 340.807 1.916 0 40 EDAB Cn1ccc(C(=O)N2C[C@H]3Cn4c(-c5ccncc5)cnc4[C@H]3C2)n1 306132066 KWZFIJYEYYJPBB-KBPBESRZSA-N 334.383 1.548 0 40 EDAB Cn1c(C(=O)NC2CCN(C(N)=O)CC2)ccc1-c1ccccc1 72297172 ALZPDIXYCRSHCZ-UHFFFAOYSA-N 326.400 1.965 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 12920009 MDMLTOONBQQURZ-UTUOFQBUSA-N 344.408 1.128 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)c3ccnc(N4CCCC4)n3)C2)no1 72292207 RCDOTVULLMPVPT-CYBMUJFWSA-N 342.403 1.788 0 40 EDAB CC(C)c1nc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)no1 72299420 DXNVUJNDQQKCEU-NWDGAFQWSA-N 335.408 1.647 0 40 EDAB O=C(CCNc1ncccn1)NCCc1nc(-c2ccccc2)no1 13690376 PJOVXCNDWRPYNU-UHFFFAOYSA-N 338.371 1.688 0 40 EDAB O=C(Nc1ncn(Cc2cccnc2)n1)[C@@H]1Cc2cc(F)ccc2O1 72292641 QASIDDIDOCQENX-HNNXBMFYSA-N 339.330 1.803 0 40 EDAB CON(C)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 9339361 SUBLOXZAZZZKJF-UHFFFAOYSA-N 337.401 1.801 0 40 EDAB CS(=O)(=O)c1nc(C(=O)N2CCCSCC2)c2ccccn12 65553764 GJQPTWKJOJNNPR-UHFFFAOYSA-N 339.442 1.317 0 40 EDAB Cc1cc2ccccc2n1CC(=O)N[C@@H](C)C(=O)N1CCOCC1 65563947 XBFSOWZVRSOWHW-AWEZNQCLSA-N 329.400 1.313 0 40 EDAB COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)c1OC 65539858 KRWKUYMVMHVZGB-GXTWGEPZSA-N 332.400 1.644 0 40 EDAB CC1CCN(Cc2csc(NC(=O)[C@H]3CCC(=O)NC3)n2)CC1 65609254 NYRDVKYFGQXVNC-LBPRGKRZSA-N 336.461 1.840 0 40 EDAB O=C(CCn1cnc2ccccc2c1=O)N1CCC2(CC1)OCCO2 9418896 RQSNKCLEUKCCPK-UHFFFAOYSA-N 343.383 1.152 0 40 EDAB Cn1nc2c(cc1=O)CN(CC(=O)NCCC1=CCCCC1)CC2 72302308 CDJNBIOSZUTOLC-UHFFFAOYSA-N 330.432 1.145 0 40 EDAB CCCn1c(CN2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 5893789 QEERIOOEVBFZRX-CHWSQXEVSA-N 347.463 1.322 0 40 EDAB NC(=O)CCN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 7203798 CDGLUVPXKJQHCU-LJQANCHMSA-N 337.379 1.552 0 40 EDAB NC(=O)[C@@H](CNC(=O)c1noc2c1CCCC2)Cc1ccc(F)cc1 71841497 WQJCGNBWXJQEFV-GFCCVEGCSA-N 345.374 1.767 0 40 EDAB CCN(CC)Cc1ccc(C(=O)N2CCN(C[C@H](C)O)CC2)cc1 71871239 MQZWKIKBRGZGGH-INIZCTEOSA-N 333.476 1.667 0 40 EDAB C[C@H]1CCCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1 71842008 WLXIIZUPKBNGDN-ZDUSSCGKSA-N 329.400 1.729 0 40 EDAB CCO[C@@H](C(=O)N1CCC[C@H](N2CCNC2=O)C1)c1ccccc1 71841633 GVPOXCRQWUQSDG-JKSUJKDBSA-N 331.416 1.780 0 40 EDAB Cc1ccnn1-c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 8134673 LZZXKJNWFZOROE-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2nc3nc(C)cc(C)n3n2)c1 70004475 XMBPVJKXWDCHRU-AWEZNQCLSA-N 339.403 1.551 0 40 EDAB Cc1nccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)n1 69382081 IRRVXADFZHJQQQ-QGZVFWFLSA-N 338.411 1.749 0 40 EDAB CCN(CC)S(=O)(=O)N1CCN(CCc2scnc2C)CC1 71907449 FGUKTQDUZCCECO-UHFFFAOYSA-N 346.522 1.198 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@H](n3cccn3)C2)ccc1=O 69432728 SNHTZORBYBRKHG-HNNXBMFYSA-N 330.388 1.169 0 40 EDAB CCCCn1c(N)c(N(CC(C)C)C(=O)NCC)c(=O)[nH]c1=O 8429362 CYIRSRPCTGOCID-UHFFFAOYSA-N 325.413 1.111 0 40 EDAB CN(CC(N)=O)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 69535479 XVYLGPWCWMOJJG-UHFFFAOYSA-N 346.408 1.218 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCCN2CC(=O)NC2CCOCC2)n1 69620967 FDFHVOGQVUHCQH-INIZCTEOSA-N 335.452 1.045 0 40 EDAB O=C(Cc1cnn(-c2ccccc2)n1)N1CCC[C@H](n2ccnc2)C1 69657026 LFYQJPFCJLCRML-KRWDZBQOSA-N 336.399 1.870 0 40 EDAB C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1 69697486 ILGBFOQAMOAMQH-LLVKDONJSA-N 334.807 1.875 0 40 EDAB Cc1ccc(OCCCNC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 69769819 HVESOLALFGURQF-UHFFFAOYSA-N 333.388 1.211 0 40 EDAB CCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCO)cc1 69893652 TTYHCFSWIKJCRH-UHFFFAOYSA-N 348.424 1.772 0 40 EDAB CC(C)Cc1cc(C(=O)N2CCCN(c3cccnn3)CC2)[nH]n1 69970670 RESNESSRWVQWON-UHFFFAOYSA-N 328.420 1.751 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N(CCO)c2ccc(F)cc2F)C1 92278481 VMPVYWJUKVJHOI-LLVKDONJSA-N 334.388 1.740 0 40 EDAB O=C(Nc1nc2c(s1)CCCC2)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 8738102 UHMDMKFYYCRFPK-UHFFFAOYSA-N 342.380 1.804 0 40 EDAB Cc1cn2c(=O)c(C(=O)N3CCO[C@H]4CCCC[C@H]43)cnc2s1 92880530 MQBRBZPOGYNXNF-OLZOCXBDSA-N 333.413 1.848 0 40 EDAB CCN1C(=S)N(c2ccccc2OC)[C@H]2CS(=O)(=O)C[C@H]21 9061293 FVAHYBWNLBPZBF-NEPJUHHUSA-N 326.443 1.288 0 40 EDAB C[C@@H](NCC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 95984184 DPFGQKZVVJJRNZ-NEPJUHHUSA-N 344.864 1.542 0 40 EDAB CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)C=C[C@H]2O1 408728643 QMBQAJPMXVRNJR-UHQDVWGKSA-N 327.336 1.696 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)N1CCC(C)CC1 26398489 RHOGXMZLQUSEOW-UHFFFAOYSA-N 329.422 1.170 0 40 EDAB CC(=O)NCCNC(=O)N[C@@H](C)Cc1ccccc1Br 89904206 ZUHXEXZOVGSCKD-JTQLQIEISA-N 342.237 1.815 0 40 EDAB Cc1c(C(=O)OCC(=O)c2ccc(S(C)(=O)=O)cc2)cnn1C 21614705 JYVZWHGTZZUKSK-UHFFFAOYSA-N 336.369 1.172 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306144443 ZFKQZHIRWGRDDT-CQSZACIVSA-N 340.383 1.572 0 40 EDAB COc1nc(N(C)C)nc(N2C(=N)N(c3ccccc3)C(=O)[C@@H]2C)n1 26951557 SZINLFVCXKXTEA-JTQLQIEISA-N 341.375 1.123 0 40 EDAB Cc1csc([C@H]2CN(CC(=O)Nc3c(C)n[nH]c3C)CCO2)n1 65466826 CXCOHQITNSZODV-GFCCVEGCSA-N 335.433 1.803 0 40 EDAB CC1=CCN(S(=O)(=O)CCCS(=O)(=O)C(F)(F)F)CC1 1561440839 DTJZYMKVJFZSHP-UHFFFAOYSA-N 335.369 1.293 0 40 EDAB Cc1cc(NC(=O)CSc2cc(N3CCOCC3)ncn2)on1 36708477 XHMHVMJXULQEHP-UHFFFAOYSA-N 335.389 1.340 0 40 EDAB Cn1cc(C(=O)N2CCC[C@H]2c2cncc(CN3CCCC3)n2)cn1 72387942 XFHBTYYEZGLJRJ-KRWDZBQOSA-N 340.431 1.783 0 40 EDAB COCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(F)cc2)n1C 33771294 BLULXVHIUHSNCZ-UHFFFAOYSA-N 348.378 1.708 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N1CC2(COC(C)(C)OC2)C1 70972100 MKIHQIRHAVIVDR-UHFFFAOYSA-N 345.392 1.608 0 40 EDAB Cc1nccn1-c1ccc(=O)n(CCNC(=O)c2cccs2)n1 75163032 RLHXAMPUVNBCPO-UHFFFAOYSA-N 329.385 1.229 0 40 EDAB COc1ccccc1/C=C1/SC(=S)N([C@@H](CO)C(=O)O)C1=O 35648406 AMGKYIWYVPKHMU-CAXXOGMASA-N 339.394 1.342 0 40 EDAB CCN1CCN(CCNC(=O)C2=C(C)Oc3ccccc3C2)CC1 73639678 HFJHYMFCSGDBJV-UHFFFAOYSA-N 329.444 1.649 0 40 EDAB CC(C)(C)c1cc(NC(=O)C2CN(C(=O)c3cnccn3)C2)on1 70841078 AHBHHEJPTGMRKE-UHFFFAOYSA-N 329.360 1.473 0 40 EDAB CCCCC(=O)NC[C@H]1COCCN1C(=O)c1cc(C2CC2)n(C)n1 1061291604 UCCPQHLYAJCDFJ-AWEZNQCLSA-N 348.447 1.445 0 40 EDAB CCCOC(=O)c1cc(-n2cnnc2)ccc1N1CCN(CC)CC1 226277711 RLENMXNXOYSREC-UHFFFAOYSA-N 343.431 1.976 0 40 EDAB COc1ccc(O[C@@H]2CCN(C(=O)COc3ccccc3C)C2)nn1 225434788 OEXIWSNSDIOPOA-CQSZACIVSA-N 343.383 1.852 0 40 EDAB Cc1ccc(C(=O)NCc2nccc(N3CCOCC3)n2)cc1C 224168084 DUZCTOXXAQOXSJ-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB CCCN1CCCN(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)CC1=O 190190673 SSHBRXTWVUNLRU-CYBMUJFWSA-N 349.479 1.622 0 40 EDAB O=C(c1ccncc1)N1CCOC[C@@H]1c1ncn(Cc2ccccc2)n1 225472912 XMCOYAFPKHUVEY-QGZVFWFLSA-N 349.394 1.935 0 40 EDAB O=C(NCCOc1ccc(F)cc1)[C@H]1CSc2nccc(=O)n2C1 85473924 IADTYKCOMPUQST-LLVKDONJSA-N 349.387 1.300 0 40 EDAB CC(C)(CC(=O)O)NS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 573094517 OVUSYBLYSLLINY-UHFFFAOYSA-N 337.300 1.540 0 40 EDAB Cc1nc(S(=O)(=O)NCc2ccnc(-c3ccco3)c2)cn1C 225659162 JMGMJKGCFDZTDA-UHFFFAOYSA-N 332.385 1.862 0 40 EDAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N1CCCCCC1 225882489 LNOZZGUSSIMPIT-UHFFFAOYSA-N 331.463 1.864 0 40 EDAB CCCN1CC[C@@H](CNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 225653473 SDSISISPVHGUHM-INIZCTEOSA-N 339.528 1.044 0 40 EDAB C[C@H]1CN(CCN(Cc2ccccc2)S(C)(=O)=O)C[C@@H](C)O1 191870510 RJSNGQCNAVQXCG-GASCZTMLSA-N 326.462 1.557 0 40 EDAB Cc1cccc(OCc2cn(CC(=O)NCc3ccccn3)nn2)c1 227167490 DASRGOSJFYAVSW-UHFFFAOYSA-N 337.383 1.877 0 40 EDAB CCS(=O)(=O)N1CC[C@@]2(CCCN(Cc3cnn(C)c3)C2)C1 96047000 WNDOUYATCYRUGV-OAHLLOKOSA-N 326.466 1.058 0 40 EDAB CN(C)C(=O)CO[C@H]1COC2(CCN(Cc3ccsc3)CC2)C1 96047818 LZPQPBZJWLNIPD-OAHLLOKOSA-N 338.473 1.976 0 40 EDAB CS(=O)(=O)N1CCN(c2nc(C(=O)O)co2)Cc2ccccc21 579716088 JLFRMRQWROSNJW-UHFFFAOYSA-N 337.357 1.159 0 40 EDAB Cc1noc(C[C@H]2C[C@H]3CN(C(=O)COC4CCCC4)C[C@H]3O2)n1 96219711 SZIUHEAAAMQBJU-NWANDNLSSA-N 335.404 1.496 0 40 EDAB O=C(NC1CCC1)[C@@H]1C[C@H]2OCCN(C(=O)c3cccnc3)[C@@H]2C1 96251681 MKHXZVVEIILVFF-NUEKZKHPSA-N 329.400 1.370 0 40 EDAB C[C@H]1C[C@H](NC(=O)CNCC(F)(F)F)C(=O)N1c1ccccc1 96426787 DPYZVCNFMAOSSA-JQWIXIFHSA-N 329.322 1.449 0 40 EDAB CC(C)(C)OC(=O)CC1(NCc2nc(=N)[nH]c(=N)[nH]2)CCCCC1 583651807 TWPRKQPFYHKIMX-UHFFFAOYSA-N 336.440 1.221 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cnccn1 96422426 QULYWHNWSLFYIC-OAHLLOKOSA-N 325.416 1.417 0 40 EDAB CCOC[C@@H](O)CN1CCC(C(=O)N2CCc3ccccc32)CC1 96483275 OIFKFTRNICSTQP-KRWDZBQOSA-N 332.444 1.685 0 40 EDAB COC[C@@H]1C(=O)NCC12CCN(C(=O)c1ccc3c(c1)OCO3)CC2 96206563 CXMIIICPDFLOAL-CYBMUJFWSA-N 346.383 1.030 0 40 EDAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@H](C)c1c(C)nn(C)c1C 245339013 PYKBFQANJIRVOT-QEAVUDMASA-N 333.432 1.844 0 40 EDAB CCOCn1nc(C)c(CC(=O)N[C@@H](C)[C@H](C)C(=O)OCC)c1C 585089562 WZNWVNZUCFWPHD-RYUDHWBXSA-N 339.436 1.740 0 40 EDAB CCC[C@H](C(=O)OCC)S(=O)(=O)N[C@@H](C)Cc1c(C)noc1C 585115584 JBXRTUOJXZZWJX-IINYFYTJSA-N 346.449 1.874 0 40 EDAB O=C(NCc1cccc(CO)n1)Nc1cccnc1N1CCCC1 585137236 NNXNXUJXPKJUMC-UHFFFAOYSA-N 327.388 1.891 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@H]1C[C@H]2CC[C@H]1C2 241213356 KOGYPBQMFDMZGA-LUIWMBBWSA-N 333.432 1.648 0 40 EDAB Nc1nc(Cl)cc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1 26776303 SKFHFSPKIMZGKY-UHFFFAOYSA-N 337.733 1.607 0 40 EDAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)Cc1ccccc1 257282155 OSOGBOIGGXHACV-LJQANCHMSA-N 338.411 1.625 0 40 EDAB CCn1nccc1-c1cc(C)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257246565 IURYYYAQXOLZMF-CYBMUJFWSA-N 349.460 1.807 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(C(=O)c2ccc(F)c(Cl)c2)C1 257333702 YCQXIXSBLRXZNY-NSHDSACASA-N 327.787 1.229 0 40 EDAB CC(=O)NCc1nccnc1C1CCN(Cc2ccnn2C)CC1 257229526 FYLDMEMYSWBMHS-UHFFFAOYSA-N 328.420 1.226 0 40 EDAB Cc1nc(-c2nccn2C)cc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 257271408 MYEPRDLWJKVVBU-GFCCVEGCSA-N 335.433 1.325 0 40 EDAB O=C(c1cccc2ncccc12)N1CC[C@](O)(CN2CCOCC2)C1 257339435 ZBSLCUDQEVBJGF-IBGZPJMESA-N 341.411 1.144 0 40 EDAB CN1C(=O)CN(C(=O)N[C@@H]2CCNC23CCC3)Cc2ccccc21 623180438 FNWAALZEWZRYBL-OAHLLOKOSA-N 328.416 1.459 0 40 EDAB CC(C)(C)c1csc(CCNS(=O)(=O)[C@@H]2CCC[C@@H]2O)n1 1615623236 HVDAKULOVNFFSV-WDEREUQCSA-N 332.491 1.816 0 40 EDAB Cc1c([C@@H](NS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C(=O)O)cnn1C 575232955 TVVDCEQCVJNBKB-NWANDNLSSA-N 349.412 1.330 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCc1nc(N(C)C)nc(N(C)C)n1 575413801 KKCBLJZBOIYVJZ-GFCCVEGCSA-N 344.419 1.087 0 40 EDAB CCOc1ncnc2c1CN(CC(=O)Nc1cc(C(C)C)no1)CC2 65457751 XMFMKAOFJAVOMZ-UHFFFAOYSA-N 345.403 1.984 0 40 EDAB COc1ncc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccccc2F)cn1 585276855 PDADFGNYWKNNCJ-HOTGVXAUSA-N 345.374 1.833 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)CCc3cnn(C)c3)C2)c1 585272226 MEXNODPGNRPCMS-LJQANCHMSA-N 343.427 1.704 0 40 EDAB COc1ccc(Cl)cc1CC(=O)N[C@@]1(C(=O)O)CCSC1 43508977 GEMNYKYFDULSQE-AWEZNQCLSA-N 329.805 1.968 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)N2CCOc3ccccc32)CC1 69892722 BACGIRJJZJNTJY-LSDHHAIUSA-N 343.427 1.212 0 40 EDAB Cc1ccsc1C(=O)NC[C@H]1CCN(CCN2CCOCC2)C1 44941644 GJEDPEBKRQWPGG-OAHLLOKOSA-N 337.489 1.440 0 40 EDAB CC(C)NC(=O)Nc1ccc(C(=O)NCC(=O)Nc2cn[nH]c2)cc1 51414748 PZFUQIMIVIQPPK-UHFFFAOYSA-N 344.375 1.308 0 40 EDAB CN1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 77817331 QLXBYYPGTHSSBU-VIFPVBQESA-N 347.312 1.851 0 40 EDAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NC[C@H]1CCCO1 38756210 JOUQGUAMUCFJJM-GHMZBOCLSA-N 335.429 1.064 0 40 EDAB O=S(=O)(Cc1cc(F)ccc1F)N1CC(OC[C@H]2CCOC2)C1 1565522142 BVCHPYBLPFXZGZ-NSHDSACASA-N 347.383 1.532 0 40 EDAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 75606258 QSEHNETUMKIHNB-CVEARBPZSA-N 348.491 1.926 0 40 EDAB COc1ccc(CCCC(=O)N2CCN(CCO)CC2)c(Cl)c1 75604508 DSZKAWXRKDFKOJ-UHFFFAOYSA-N 340.851 1.808 0 40 EDAB O=C(NCc1nc(-c2ccco2)n[nH]1)C(=O)Nc1c(F)cccc1F 76018337 INYRZMUCDXDLPI-UHFFFAOYSA-N 347.281 1.598 0 40 EDAB CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 90531973 XRIUWWOAQHUWIY-AAEUAGOBSA-N 336.461 1.908 0 40 EDAB CC[C@H]1c2ccccc2CCN1C(=O)c1ccnc2c(C(N)=O)cnn12 95450228 XENSHBDRPDOVHB-HNNXBMFYSA-N 349.394 1.978 0 40 EDAB COc1cccc(CCNS(=O)(=O)c2c(C)nn(C)c2Cl)n1 584907860 SWUVAQKPTDKXPS-UHFFFAOYSA-N 344.824 1.307 0 40 EDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NCc3cccs3)[C@H]3CO[C@@H]2O3)n1 1534640214 UQDOEIJNAYOWCV-DGXTUMSLSA-N 335.429 1.377 0 40 EDAB O=C(COC(=O)c1ccc2ccccc2c1)N[C@H]1CCS(=O)(=O)C1 5461065 MZVDMXYJHXRREI-HNNXBMFYSA-N 347.392 1.300 0 40 EDAB CN(C(=O)COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1ccccc1 5877147 YQVQJLWWULOXJQ-CXAGYDPISA-N 348.424 1.647 0 40 EDAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)n2)o1 12182736 NNUCOGFPEQPNNU-TXEJJXNPSA-N 344.415 1.898 0 40 EDAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 12556910 XMWUKGXUGNAFCZ-UHFFFAOYSA-N 337.383 1.601 0 40 EDAB CC(=O)NCC(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 19021324 JLUGBZOWTYRHSN-LLVKDONJSA-N 334.401 1.640 0 40 EDAB O=C(CN1C(=O)[C@@H]2CCCN2c2ncccc21)NCc1cccs1 19346590 ILBHRNJQCDDQDR-AWEZNQCLSA-N 342.424 1.775 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CC3(C)CC2(C(=O)O)C3)cc1C 606444805 YPGPQAJPJDCJIP-UHFFFAOYSA-N 339.413 1.940 0 40 EDAB O=C(CN1CCN(C(=O)NCc2ccc(F)cc2)CC1)N1CCCC1 30990138 YPMQQRLAKUZQEM-UHFFFAOYSA-N 348.422 1.275 0 40 EDAB COCCCNC(=O)NC(=O)COc1ccccc1Br 6787917 TWUOZYRDFAUKRN-UHFFFAOYSA-N 345.193 1.690 0 40 EDAB NC(=O)c1cc(OC2CN(c3cc(C4CCC4)ncn3)C2)ccn1 1889098093 MUIUIBACIFHUIL-UHFFFAOYSA-N 325.372 1.506 0 40 EDAB O=C(c1cnco1)N1CC[C@]2(COCC(=O)N(c3ccccc3)C2)C1 2037983759 DVPMQKNLVUKUKL-SFHVURJKSA-N 341.367 1.570 0 40 EDAB O=C(CC1(O)CCC1)N1CCCn2ncc(C(=O)N3CCCC3)c2C1 2056214983 PMZITOYUDQOHFA-UHFFFAOYSA-N 346.431 1.157 0 40 EDAB CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1ccc(C)c(Cl)c1 4107540 BZPVYWOPYXHZSF-ZDUSSCGKSA-N 346.836 1.526 0 40 EDAB CC1=C(C(N)=O)[C@@H](c2ccc(OC(F)(F)F)cc2)N2NC=NC2=N1 4694719 GPKUJSZRWQVKTE-LLVKDONJSA-N 339.277 1.604 0 40 EDAB CC(=O)NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21 12071365 BRZGWXORWKIZDK-UHFFFAOYSA-N 345.790 1.431 0 40 EDAB CCc1ncnc(O[C@H]2CCN(C(=O)C(C)(C)OC(C)=O)C2)c1F 575413918 QTFQODFYXVXBHA-NSHDSACASA-N 339.367 1.500 0 40 EDAB CCC(Nc1ccc(OC)cc1OC)=C1C(=O)N(C)C(=O)N(C)C1=O 17208327 SWCLPNQYVYVGGJ-UHFFFAOYSA-N 347.371 1.830 0 40 EDAB CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 488653 BGQRXMCVRTWFOQ-LDDOYCOJSA-N 329.352 1.545 0 40 EDAB biogenic O=C(C[C@@H](C(=O)O)N1CCOCC1)c1ccc(Br)cc1 41472 GOSZQLIFKZUNME-LBPRGKRZSA-N 342.189 1.807 0 40 EDAB COc1ccc([C@]2(C)NC(=O)N(Cc3nc(C)no3)C2=O)cc1OC 40489688 LKEZFPNUJKTJDP-INIZCTEOSA-N 346.343 1.362 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2ccc(C(F)(F)F)nc2)CC1 40511047 BFUGJQMKHCGWHA-UHFFFAOYSA-N 344.337 1.041 0 40 EDAB CNC(=O)[C@H](NS(=O)(=O)c1cc(F)ccc1C)c1ccccc1 40555336 MCHDPCKZHYQRRX-OAHLLOKOSA-N 336.388 1.900 0 40 EDAB CN(Cc1cc(=O)n2nccc2[nH]1)C[C@@H](O)COCc1ccccc1 101136771 YAIBROKJTOKQSJ-MRXNPFEDSA-N 342.399 1.032 0 40 EDAB C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccc2c(c1)OCCCO2 32282158 WMLJLXITSWRWFE-GXTWGEPZSA-N 347.415 1.816 0 40 EDAB CC(C)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)N1CCOCC1 32934890 NLZTYADCWNMVQL-HNNXBMFYSA-N 347.415 1.104 0 40 EDAB O=C(Nc1nc2ccccc2nc1N1CCCC1)[C@H]1COCCO1 41792289 XUFUBBUPELHURK-CQSZACIVSA-N 328.372 1.584 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@](C)(c2cccc(Cl)c2)C1=O 42179406 YVUHADOWGIFSLC-OAHLLOKOSA-N 348.794 1.704 0 40 EDAB NC(=O)c1cnc(N2CCC[C@H](C(=O)NCC3CC3)C2)c(Cl)c1 54060295 AMRILILEPXUGJU-NSHDSACASA-N 336.823 1.577 0 40 EDAB Cc1nc(NC[C@]2(N3CCOCC3)CCSC2)c2cnn(C)c2n1 54058825 QHYXAIOCOJZPTA-MRXNPFEDSA-N 348.476 1.292 0 40 EDAB CC(C)/N=c1\ccccn1C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 104574265 BYXJVYHEHAAZFZ-ZPTIMJQQSA-N 325.434 1.109 0 40 EDAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 24051157 HVOWCOFATTWNBL-NSHDSACASA-N 347.396 1.699 0 40 EDAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CN1CCCCCC1=O 24678257 YBONNFUMALJCIQ-UHFFFAOYSA-N 335.379 1.625 0 40 EDAB NS(=O)(=O)CC1CCN(c2ccnc(-c3ccccc3)n2)CC1 78650578 PJMKWSBSLFULHD-UHFFFAOYSA-N 332.429 1.649 0 40 EDAB CC(=O)N1CCCN([C@H]2CN(CCOc3ccccc3)C[C@@H]2C)CC1 78896292 SRCJJTNMOXJMQP-PXNSSMCTSA-N 345.487 1.940 0 40 EDAB O=C([C@H]1COCCO1)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 78901735 KAGZXVFHRSZBMF-GXSJLCMTSA-N 333.310 1.550 0 40 EDAB O=C(c1cccc(F)c1F)N1CC[C@@H](OCCN2CCOCC2)C1 79110184 HFSGFYLAIMXHDT-CYBMUJFWSA-N 340.370 1.528 0 40 EDAB Cc1ncc2c(n1)CN(CC(=O)N1CCO[C@@H]3CCCC[C@H]31)CC2 106659812 VDQQQOOHPVGZAC-IAGOWNOFSA-N 330.432 1.313 0 40 EDAB CN(C)C1(CNC(=O)COc2cccc(C(N)=O)c2)CCCCCC1 55781907 NPIVNXJDRZOLCZ-UHFFFAOYSA-N 347.459 1.935 0 40 EDAB CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@H]1CO 108127128 VOAXIQRDNZVDHG-JTQLQIEISA-N 336.816 1.612 0 40 EDAB O=C1CN(Cc2cc3c(cc2Br)OCCO3)CCN1 57450376 LPIFUDZKDCMGOK-UHFFFAOYSA-N 327.178 1.152 0 40 EDAB CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2Cc3ccccc3O2)cc1 26866755 IXQYSDRIOIFPRR-CQSZACIVSA-N 346.408 1.328 0 40 EDAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(OC)nc1 8327391 ITMOXTGAKPAPJW-UHFFFAOYSA-N 344.323 1.672 0 40 EDAB O=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1ccccc1Cl 57936868 URFZRMZRLRBDDO-UHFFFAOYSA-N 337.763 1.380 0 40 EDAB C[C@H]1C[C@H](N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)C(=O)O1 44741842 JQJYDZSEEDBVPM-HOCLYGCPSA-N 330.428 1.812 0 40 EDAB Cc1cccc(C)c1OC[C@@H](O)Cn1nnc(-c2cccnc2)n1 58214815 FUUFRMSSEAEYKM-HNNXBMFYSA-N 325.372 1.792 0 40 EDAB O=C(NCCNC(=O)c1cccc(Br)c1)NCC1CC1 58208612 LNIXWUATZHDWQF-UHFFFAOYSA-N 340.221 1.888 0 40 EDAB C[C@@H]1CN(C(=O)CCNC(=O)c2cccc3[nH]ncc23)C[C@@H](C)O1 58281695 VCUVHIYBYZAHTR-VXGBXAGGSA-N 330.388 1.319 0 40 EDAB CCN(CC)c1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cn1 58244715 PZMBGQXOQNQAMF-UHFFFAOYSA-N 345.428 1.843 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 58263875 JVYSJXUPCHCLRC-CVEARBPZSA-N 336.457 1.720 0 40 EDAB CCCNC(=O)[C@@H](C)S(=O)(=O)Cc1cc(C(C)=O)ccc1OC 44909239 RGZNEMWRQYLHMT-GFCCVEGCSA-N 341.429 1.727 0 40 EDAB O=C(CN1C(=O)COc2ccccc21)NC[C@H]1CCN(C2CC2)C1 44934345 ZXZJAIFBLRYVFK-CYBMUJFWSA-N 329.400 1.013 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)NCc1ccc(N2CCCC2)nc1 44910339 QOICPVQKDYSGCB-UHFFFAOYSA-N 328.420 1.757 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)[C@@H]3CCCN3C2=O)c1C 9477364 SBOYCOYXMZPZPL-NSHDSACASA-N 347.371 1.418 0 40 EDAB C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)[C@@H]1CCCO1 27907938 VAUMYJZHMVTSGH-KOLCDFICSA-N 329.194 1.295 0 40 EDAB Cc1csc2nc(Cn3cnc4sccc4c3=O)cc(=O)n12 10620485 GDLXKZJWXRROSR-UHFFFAOYSA-N 330.394 1.884 0 40 EDAB Cc1cc(NC(=O)[C@H](C)Nc2ccc(OCC(=O)N(C)C)cc2)no1 28382173 ANEIXFYPBAJOQK-LBPRGKRZSA-N 346.387 1.889 0 40 EDAB Cc1ccc2c(Cn3nnn(-c4cccs4)c3=O)cc(=O)oc2c1 10813364 KLDRKAAQJJIBRB-UHFFFAOYSA-N 340.364 1.954 0 40 EDAB CC(C)N1C(=O)N[C@@](C)([C@@H]2CCCN(CCn3cccn3)C2)C1=O 89869763 VTPWZTWYMBXGRH-PBHICJAKSA-N 333.436 1.314 0 40 EDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1Cl 45896127 CYDGJKMBYYUUTL-CYBMUJFWSA-N 349.778 1.805 0 40 EDAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CC(=O)N(C2CC2)C1 45837108 NAHBXKGRPDITSE-SSDOTTSWSA-N 329.278 1.343 0 40 EDAB CCn1cnnc1CNC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 89310086 NZLVDPYKGGAMSQ-HNNXBMFYSA-N 341.415 1.271 0 40 EDAB C[C@@H]1Cc2ccccc2N1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 21845021 BUVYGJNTCNQUCW-GFCCVEGCSA-N 343.408 1.462 0 40 EDAB COCCN1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)CC1 75582016 BQYCRILNXNLZEA-QZTJIDSGSA-N 332.444 1.979 0 40 EDAB CCc1[nH]c(C(=O)N(C)CC(=O)N2CCCC2)c(C)c1C(=O)OC 23242401 JKZXJBJTPYXZDU-UHFFFAOYSA-N 335.404 1.367 0 40 EDAB Cc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 37866478 POXAKRISOWOOGE-VUBORPHZSA-N 329.352 1.674 0 40 EDAB Cc1ccsc1C(=O)N1CCC2(CC(NS(C)(=O)=O)C2)C1 108525813 ORQYQRZHPGFJDP-UHFFFAOYSA-N 328.459 1.600 0 40 EDAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(C)ccc3O)cnc21 3324005 LOMRQRUKBOAACK-UHFFFAOYSA-N 339.351 1.740 0 40 EDAB O=C(C1CC=CC1)N1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 108534987 JFSHBBYUEWHUAK-ROUUACIJSA-N 327.428 1.850 0 40 EDAB CN1CCCN(C(=O)N[C@H](c2ccccc2F)c2nccn2C)CC1 89761364 WJMOUXMYVUXELU-MRXNPFEDSA-N 345.422 1.996 0 40 EDAB Cn1ncnc1CNC(=O)N(CCCO)[C@H]1CCc2ccccc21 89741169 XZDHOYFBISUQMO-HNNXBMFYSA-N 329.404 1.397 0 40 EDAB CCC[C@H](C)N1C[C@@H](C(=O)N2CCC(c3nncn3C)CC2)CC1=O 75120935 RFLIYDZQHLOWKX-ZFWWWQNUSA-N 347.463 1.558 0 40 EDAB Cc1cc(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)no1 9386818 SMDXMDZNTDWHCU-UHFFFAOYSA-N 343.261 1.534 0 40 EDAB CN1CCCN(C(=O)NCc2ccc(Cn3cncn3)cc2)CC1 65418906 FFXJOUAXONSWPK-UHFFFAOYSA-N 328.420 1.174 0 40 EDAB COC(=O)CN(Cc1ccccc1C)C(=O)C1=NN(C)C(=O)CC1 65538260 UBPLPVFKRDARCY-UHFFFAOYSA-N 331.372 1.105 0 40 EDAB Cc1noc(CCNC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)n1 65554405 OHDXVWCCSQFDFC-QGZVFWFLSA-N 343.431 1.025 0 40 EDAB O=C([C@@H]1CCCN1c1cncc(Br)c1)N1CCOCC1 95407752 RXCPWDSYAJSVDC-ZDUSSCGKSA-N 340.221 1.672 0 40 EDAB CS(=O)(=O)CCS(=O)(=O)Cc1csc(-c2ccccc2)n1 65648371 PNKDDLJNYGNBLB-UHFFFAOYSA-N 345.467 1.770 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)CCc1cccc(F)c1F 65612200 LUOREQMXUZYNBS-UHFFFAOYSA-N 348.415 1.685 0 40 EDAB Nc1nc(SCC(=O)N2CCC(Cc3ccccc3)CC2)n[nH]1 6450780 GNNHLRCBVSAMAQ-UHFFFAOYSA-N 331.445 1.960 0 40 EDAB CCOCCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 22531561 VIKVWCYGPNXSSO-UHFFFAOYSA-N 334.825 1.868 0 40 EDAB COc1cc(OC)c(NC(=O)CSc2nnnn2C)cc1Cl 4740036 FOLRZYCWGFEFSZ-UHFFFAOYSA-N 343.796 1.612 0 40 EDAB C[C@H](C1CC1)N(C(=O)CN1CCN(C2CCOCC2)CC1)C1CC1 96447995 HQBZKCLGDYHFJE-OAHLLOKOSA-N 335.492 1.573 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 7185402 VYOBWIDHVMJQBQ-QGZVFWFLSA-N 340.387 1.367 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)c1cccc(CN2CCOCC2)c1 71896040 FYYOHBHIRVLPAX-OAHLLOKOSA-N 345.443 1.260 0 40 EDAB CNc1cc2c(nn1)CCN(C(=O)CN(C)Cc1ccccc1)C2 71860168 OMQCBZDWWJGFKV-UHFFFAOYSA-N 325.416 1.535 0 40 EDAB CC(=O)N[C@@H](C(=O)NCCCC(=O)N1Cc2ccccc2C1)C(C)C 71896807 AHHMMKNPFRFVFO-GOSISDBHSA-N 345.443 1.586 0 40 EDAB CCc1cccc2c(CCNC(=O)[C@H]3CCS(=O)(=O)C3)c[nH]c12 71896726 FZZDBBPVMBARSJ-AWEZNQCLSA-N 334.441 1.824 0 40 EDAB Cn1cc(N2CC[C@@H](NC(=O)NCCCc3ccccc3)C2)cn1 71910814 CSUGRJUVRFXZBS-MRXNPFEDSA-N 327.432 1.931 0 40 EDAB Cc1cc([C@](C)(O)CNC(=O)C2(O)Cc3ccccc3C2)c(C)o1 81818151 BKNBESUHAKJGNB-GOSISDBHSA-N 329.396 1.750 0 40 EDAB CCc1noc(C)c1C(=O)N1CCCN(c2ccc(C)nn2)CC1 69493374 KPYBTWQLWSCUEN-UHFFFAOYSA-N 329.404 1.996 0 40 EDAB C/C=C/C=C/C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 69420837 WATIWZRKWAYGBR-CRBCFSCISA-N 328.416 1.369 0 40 EDAB O=C(/C=C/c1ccsc1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1 69417799 IBXKYJYCVZQAFY-PUWCWTCHSA-N 340.470 1.139 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2Cc2nc(=O)c3ccccc3[nH]2)n1 69454336 KJITWEIJZIETET-CQSZACIVSA-N 338.415 1.796 0 40 EDAB CCNC(=O)CC[S@@](=O)Cc1nnnn1-c1c(C)cccc1C 83954623 TTYNGQPTYVHRKF-QHCPKHFHSA-N 335.433 1.054 0 40 EDAB CN(Cc1ccccc1)C(=O)CCNC(=O)[C@H]1CC12CCOCC2 98018437 PDVHQWDLZKHNMZ-MRXNPFEDSA-N 330.428 1.968 0 40 EDAB O=C(Cc1ccccc1O)NCCNC(=O)c1ccc(F)cc1F 69563769 ARVAJDZGAGWXKA-UHFFFAOYSA-N 334.322 1.759 0 40 EDAB COC(=O)c1[nH]c(C)cc1NCC(=O)NCc1ccc2c(c1)OCO2 69654207 GVASBEBNYIGMSR-UHFFFAOYSA-N 345.355 1.567 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)OCc2cc(C)no2)c1=O 8543658 WCVNDEPOACLOFS-UHFFFAOYSA-N 343.339 1.223 0 40 EDAB C[C@H](NC(=O)NC1CCN(CCc2ccncc2)CC1)[C@@H]1CCCO1 69700785 IISHIWGTJNMEEX-YJBOKZPZSA-N 346.475 1.955 0 40 EDAB Cc1ccc(C(=O)C(=O)NC[C@@H](O)COc2cccc(F)c2)cc1 69736981 ZKTXEPKUXXAAMK-OAHLLOKOSA-N 331.343 1.873 0 40 EDAB CO[C@H](C)C(=O)N1CCN(Cc2ccc(Br)cn2)CC1 69809175 BDKZTAZEBPZBOZ-LLVKDONJSA-N 342.237 1.523 0 40 EDAB COCCN(CCC(=O)OC)C(=O)/C=C/c1ccc2c(c1)OCCO2 69813361 AFJFJDKEZOMXPW-GQCTYLIASA-N 349.383 1.509 0 40 EDAB O=C(CN[C@@H]1CCCN(c2cccnn2)C1)NCCc1cccs1 69951897 CVMCYMJUMFTSBU-CQSZACIVSA-N 345.472 1.455 0 40 EDAB O=C(COc1cccc(C(=O)NCCO)c1)NCCC1=CCCCC1 69951815 UVXXZPOJIMTYRM-UHFFFAOYSA-N 346.427 1.794 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCCN(c2cccnn2)CC1)C1CCCC1 69946978 RSDZLZHOVRTELX-KRWDZBQOSA-N 345.447 1.210 0 40 EDAB COC(=O)Nc1ccccc1C(=O)NCCN1CCCCCC1=O 69948107 YFONXNFSYPJBOW-UHFFFAOYSA-N 333.388 1.997 0 40 EDAB COc1cc(C)nc(N2CCN(C(=O)c3ccc(C)nc3)CC2)n1 69947172 VKHYMDNBYFTLOX-UHFFFAOYSA-N 327.388 1.459 0 40 EDAB Cc1nc(C)c(CCC(=O)N2CCO[C@H](c3ccccc3)C2)c(=O)[nH]1 73923091 UFGKRMASKGTMES-KRWDZBQOSA-N 341.411 1.919 0 40 EDAB CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCCN(c2cnn(C)c2)C1=O 88559946 LGRFMFDNYPRNAL-KBPBESRZSA-N 343.435 1.194 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cnn(C)c2)c1C 8728843 CSIUCXUOUJXCPC-SNVBAGLBSA-N 333.344 1.580 0 40 EDAB O=C(CNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccco1 8770743 INYWADQOBCAGIQ-UHFFFAOYSA-N 328.328 1.064 0 40 EDAB COc1cc(CC(=O)N(CCS(C)(=O)=O)C2CC2)ccc1C 84187992 VBSMADMJEKSBNC-UHFFFAOYSA-N 325.430 1.582 0 40 EDAB O=C(CCNc1nc(Cl)nc2[nH]cnc12)NCc1cccnc1 8993256 POVDOJYHZCDCGV-UHFFFAOYSA-N 331.767 1.520 0 40 EDAB Cc1nnc(CN(C)Cc2nc3ccsc3c(=O)[nH]2)n1C1CC1 97095265 IWFSBUDBXIVTMB-UHFFFAOYSA-N 330.417 1.851 0 40 EDAB NS(=O)(=O)C[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 72275299 UBMOZTCFMBJBNR-LJLILKBBSA-N 342.848 1.880 0 40 EDAB COC[C@@H](C)NC(=O)NC1CCN(C(=O)c2ccccc2O)CC1 72289597 KPYVUSVDGLUIAH-GFCCVEGCSA-N 335.404 1.331 0 40 EDAB CCN(C(=O)NCc1ccnn1C)[C@@H]1CCN(c2ccccc2)C1=O 84431567 HUWLWTNOMMMSLN-MRXNPFEDSA-N 341.415 1.757 0 40 EDAB Cc1cc(N2CCC[C@@H](OC(=O)CCc3cnn(C)c3)C2)nc(C)n1 66730970 JIEOCWAVKCKMJB-MRXNPFEDSA-N 343.431 1.972 0 40 EDAB CCOC(=O)C1=C(CN2CCCc3cccc(F)c32)NC(=O)NC1 22846494 WBNSADZLOAUEBG-UHFFFAOYSA-N 333.363 1.708 0 40 EDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)Cc1cccc(F)c1 548203925 ZCTRDYKBZHRFQW-MFKMUULPSA-N 331.365 1.125 0 40 EDAB CCN(CC(=O)N1CCNCCC12CCOCC2)c1ccccc1 1551458008 DVCALYMSWCIYRL-UHFFFAOYSA-N 331.460 1.884 0 40 EDAB COc1c([C@@H]2CC(=O)Nc3nc(N)sc32)cc2c(c1OC)OCO2 35325407 KTXOSSKIPILACW-ZETCQYMHSA-N 349.368 1.945 0 40 EDAB CCc1nnc(NC(=O)CSc2ccc(-n3ccnc3)nn2)s1 70688602 XNJQIWDRQZPPJK-UHFFFAOYSA-N 347.429 1.807 0 40 EDAB CCc1nnnn1-c1ccccc1NC(=O)c1cc(N(C)C)ccn1 187564676 QMPJKQCOJBAITJ-UHFFFAOYSA-N 337.387 1.938 0 40 EDAB O=C(O)[C@@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218038683 YTXLMGAZTPAPGW-VYDXJSESSA-N 332.377 1.690 0 40 EDAB Cc1cc(N2CCN(C=O)CC2)ncc1CNC(=O)OC(C)(C)C 72223676 SURKFAZHNQPSDB-UHFFFAOYSA-N 334.420 1.693 0 40 EDAB CC(=O)c1cccc(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)c1 33656734 AWFFQQIPMUQBKG-UHFFFAOYSA-N 326.418 1.570 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)C1 78602829 MQDWQMOZEKJCFA-LBPRGKRZSA-N 341.358 1.130 0 40 EDAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H](NS(C)(=O)=O)[C@@H](C)[C@H]21 77261617 RUCORVWBISIBCA-DLACNQOXSA-N 329.462 1.928 0 40 EDAB biogenic,in-vitro NC(=O)CCc1cccc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)n1 72360531 QPZZBKHKEPGODY-OAHLLOKOSA-N 345.443 1.632 0 40 EDAB O=c1n(CCNc2ccc3c(c2)OC(F)(F)O3)nc2ccccn12 37175986 HEPIFMIESATYAQ-UHFFFAOYSA-N 334.282 1.930 0 40 EDAB CCOC[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC 218146081 RGFUOFHQFTZYBK-PMPSAXMXSA-N 341.429 1.297 0 40 EDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc(C2CC2)cc1 562966980 MYJJVZWIAHYYIN-ABAIWWIYSA-N 339.413 1.722 0 40 EDAB COc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1C 211099881 HNNRZCQOWUVBLL-UHFFFAOYSA-N 336.417 1.338 0 40 EDAB Cc1nc([C@@H]2CN(C(=O)[C@H](C)n3cnc4ccccc43)CCO2)n[nH]1 329103704 CGAKHNFYKXGSBG-NHYWBVRUSA-N 340.387 1.624 0 40 EDAB Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)s1 329108763 PQXDBELSOBNVIG-GFCCVEGCSA-N 327.413 2.426 0 40 EDAB COC(=O)N1CCc2ccccc2[C@H]1C(=O)NCc1nc(C)no1 75165753 GJDRAJZXVLNAGO-AWEZNQCLSA-N 330.344 1.360 0 40 EDAB CCOC(=O)Cc1c(C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 89261942 HIHGJWVZNPXKEI-UHFFFAOYSA-N 331.155 1.827 0 40 EDAB CC(C)COC[C@H](O)CNc1cnn(Cc2nnc3n2CCCC3)c1 570509791 LADFANPGNPBLGO-OAHLLOKOSA-N 348.451 1.305 0 40 EDAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCC1 222686034 NKSSCLZHLSTCSE-OAHLLOKOSA-N 340.445 1.862 0 40 EDAB O=C1NCCN(Cc2cc[nH]n2)[C@@H]1c1ccc(OC(F)(F)F)cc1 191656322 ZCIPOQZSTJQOHK-CYBMUJFWSA-N 340.305 1.981 0 40 EDAB Cc1nc(CN2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)cs1 96050834 JTNYQOOFBVWVSS-MRXNPFEDSA-N 329.429 1.871 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 96042125 UCCGHSHTPINELS-HRCADAONSA-N 326.356 1.323 0 40 EDAB Cc1cc(CN2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)no1 96065410 IMDVFZHOMMXASY-RYRKJORJSA-N 349.431 1.354 0 40 EDAB Cc1cc(CN2CCN(Cc3ccon3)CC2)ccc1-n1cncn1 93560828 GWIIMDDGAILYPK-UHFFFAOYSA-N 338.415 1.882 0 40 EDAB O=C(CNc1ccc(Cl)cc1F)NC[C@@H]1CCS(=O)(=O)C1 95417921 PREMULIJDSNCMN-VIFPVBQESA-N 334.800 1.442 0 40 EDAB Cc1noc(C)c1CCCNC(=O)c1c[nH]c2c(cnn2C)c1=O 96500534 ZXOOJJWYALFXSD-UHFFFAOYSA-N 329.360 1.229 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1ccc(F)cc1 96181773 NZACQBNELUMUSF-DLBZAZTESA-N 343.358 1.435 0 40 EDAB O=C(c1cnccn1)N1CC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 96216713 JNZXZKAWBHSHDH-GOSISDBHSA-N 340.383 1.838 0 40 EDAB CCNC(=O)[C@@H](C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96101096 BQQFQXBYZZEZIM-LLVKDONJSA-N 331.372 1.625 0 40 EDAB Cn1ccnc1CN1CCC2(CC1)CN(C(=O)c1ccco1)CCO2 96158896 QLOMFOIAQREUIO-UHFFFAOYSA-N 344.415 1.520 0 40 EDAB Cc1ncsc1CN1CC[C@]2(C[C@H](OCC(=O)N(C)C)CO2)C1 96107589 PDFHZYLWCXUQSG-BBRMVZONSA-N 339.461 1.290 0 40 EDAB CN(C)CCN1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1=O 96157749 FCAJMHBNJMWZOD-UHFFFAOYSA-N 347.434 1.842 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)Nc2c[nH]nc2-c2nccs2)C1 333738819 QUZNOAFAWFSIHQ-SNVBAGLBSA-N 334.405 1.666 0 40 EDAB c1ccc(CO[C@@H]2[C@@H](NCc3cccs3)CN3CCOC[C@H]23)nc1 96068903 JKSLCDSVADZBPM-RCCFBDPRSA-N 345.468 1.901 0 40 EDAB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(CC1CCOCC1)C2 96050234 RGHOWEKPQNPTSU-HXUWFJFHSA-N 343.471 1.836 0 40 EDAB CC[C@H](C)c1cc(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)on1 96423624 QNZNEENLPKSWKE-LBPRGKRZSA-N 348.447 1.661 0 40 EDAB O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@@H]12 96038609 CZFIHSQTLJBMFV-DJIMGWMZSA-N 330.384 1.883 0 40 EDAB CCN(CC1(O)CCS(=O)(=O)CC1)[C@@H](C)c1cccc(O)c1 330369580 YLRDHTHFFNWTNG-ZDUSSCGKSA-N 327.446 1.715 0 40 EDAB CCCn1c(C)nnc1CN1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 583618773 GWCGPRWCLNEGLI-GJZGRUSLSA-N 335.452 1.208 0 40 EDAB Cc1csc(CN2C[C@H]3OC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)n1 96215920 QWZBFKOPZGUKHB-FRRDWIJNSA-N 345.428 1.327 0 40 EDAB CCn1nc(C)cc1C(=O)N1C[C@H](c2nc(C)no2)C[C@H]2OCC[C@H]21 96038934 GPWLNFNGCVLLPX-UMVBOHGHSA-N 345.403 1.690 0 40 EDAB CC(C)C(=O)N1CCN(Cc2cccnc2)C[C@]2(CC(=O)N(C)C2)C1 97952751 WFCZHXUFRSJDEX-LJQANCHMSA-N 344.459 1.230 0 40 EDAB CCCCS(=O)(=O)N1CCN(c2ncnc3ccsc23)CC1 96428241 HZRXQRKSDNPLME-UHFFFAOYSA-N 340.474 1.943 0 40 EDAB CC(=O)N[C@@H]1CCN(C(=O)NCc2cccc3c2OCCCO3)C1 333507860 IQGBCSSNUVGGOU-CQSZACIVSA-N 333.388 1.268 0 40 EDAB Cc1cc(NC(=O)c2ccc(OCc3nnnn3C)cc2)n(C)n1 96193033 AGWNAEHBLFJUAH-UHFFFAOYSA-N 327.348 1.083 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)NC(C)C)CC2 96254857 POFUSWWXRKWSJB-UHFFFAOYSA-N 333.436 1.140 0 40 EDAB O=C(N1CCCC1)N1CCOC[C@@]2(C[C@H](CN3CCCC3)CO2)C1 96052052 XFPOZRIMDGRQFK-SJLPKXTDSA-N 337.464 1.406 0 40 EDAB O=C(c1ccccn1)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 96202338 PCNFMKNRNYVUJL-SFHVURJKSA-N 339.399 1.241 0 40 EDAB CCc1ccc(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)o1 96489657 UFYDJOYPJVQBMD-UHFFFAOYSA-N 349.456 1.812 0 40 EDAB Cc1cc(N2CC(N3CCCC3)C2)n2nc(C(F)(F)F)nc2n1 585092856 QOZOLROKWCKQAA-UHFFFAOYSA-N 326.326 1.736 0 40 EDAB CS(C)(=O)=NC(=O)c1ccc(NS(=O)(=O)N2CCCC2)cc1 585086343 FPIUEKCWOXUIMS-UHFFFAOYSA-N 345.446 1.307 0 40 EDAB CNC(=O)OC[C@H]1CCCCN1C(=O)c1cnc(OC(C)C)cn1 585083997 OSLMUQXTMAEKSC-GFCCVEGCSA-N 336.392 1.615 0 40 EDAB O=C(N[C@@H](CO)C(=O)N1CCCSCC1)OCc1ccccc1 585122340 XHDIYRHIJJGGJG-AWEZNQCLSA-N 338.429 1.239 0 40 EDAB O=C([C@@H]1CCOC1)N1CCOC[C@H]1c1nc(-c2ccccc2)no1 240756979 HVTHEISQYNDNLK-KGLIPLIRSA-N 329.356 1.673 0 40 EDAB CO[C@@H]1CCOC2(C1)CN(S(=O)(=O)c1ccccc1Cl)C2 247952864 MPLAXUIAUHNZGE-LLVKDONJSA-N 331.821 1.909 0 40 EDAB O=C(CN1CCN(c2cc3c(nn2)CCC3)CC1)Nc1ccccc1 585414834 YJGZWFODOMJQFC-UHFFFAOYSA-N 337.427 1.726 0 40 EDAB O=C(O)c1ccc2c(=O)c(S(=O)(=O)c3ccccc3)c(O)[nH]c2c1 85346498 MKNFBJQNWNUHCH-UHFFFAOYSA-N 345.332 1.765 0 40 EDAB C[C@]1(O)CN(C(=O)Cn2cccn2)CC[C@@H]1Oc1cccc(F)c1 257265334 LYGRPZQKGKQGNB-RDJZCZTQSA-N 333.363 1.453 0 40 EDAB CCOC[C@@H]1CN(C(=O)c2cccnc2O)C[C@H]1c1cnn(C)c1 585655695 JCYLHHXTJJBJMN-ZFWWWQNUSA-N 330.388 1.413 0 40 EDAB Cc1c(CN2CCC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)cnn1C 257333086 YABWABYGGQVZQT-GFCCVEGCSA-N 337.449 1.235 0 40 EDAB O=C(c1cc(-n2cccn2)ccn1)N1CCN(c2ccccn2)CC1 85472885 ALEUQVQHFGVRJR-UHFFFAOYSA-N 334.383 1.625 0 40 EDAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2cnn(C)c2)n1 257292717 QMQWKQXHWGRIBS-MRXNPFEDSA-N 327.388 1.429 0 40 EDAB Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)CCN)C2)n1 257313146 URFDRLGCBDHWKC-CYBMUJFWSA-N 329.404 1.488 0 40 EDAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1cncnc1 257223122 DVYDBXLCDQLEBT-QGZVFWFLSA-N 326.400 1.891 0 40 EDAB Nc1nccnc1[C@@H]1CN(S(=O)(=O)C2CCCCC2)CCO1 257223488 DXOCIFLQLFKHQW-LBPRGKRZSA-N 326.422 1.095 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](Cc3[nH]ncc3C)C2)n1 257281221 OOEBNUDAGISGMP-AWEZNQCLSA-N 329.404 1.065 0 40 EDAB COc1ccc(S(=O)(=O)N(CC(C)C)C2CC2)cc1C(N)=O 26815740 TUIFYLWVALTXCS-UHFFFAOYSA-N 326.418 1.603 0 40 EDAB CN([C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)Cc1ccccc1 257334698 YHANUVYXXHHUEE-BRWVUGGUSA-N 338.473 1.436 0 40 EDAB CN1CC=C(CNC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 271985449 PAGGAZJAJZHDGT-INIZCTEOSA-N 331.391 1.557 0 40 EDAB NC(=O)CSCC(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 598117084 RGRUFZYDGBYCST-MRVPVSSYSA-N 348.350 1.377 0 40 EDAB CCCOc1cccc(CNC(=O)CN[C@]23CCC[C@@H]2NCC3)c1 1615059191 WZVNUBUEURTLJX-HKUYNNGSSA-N 331.460 1.966 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@H](CO)C[C@H]3CO)cn2)n1 1615586518 AWWXIAKMRYQVNF-HIFRSBDPSA-N 345.403 1.091 0 40 EDAB COCCn1ccc(NC(=O)[C@@]2(N)CCc3c(OC)cccc32)n1 1615615901 UHOVAJSFVMGOQO-QGZVFWFLSA-N 330.388 1.277 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NCCN=S(C)(C)=O)cc2)n1 1616016230 RZSAGDFAGJCYKO-UHFFFAOYSA-N 334.445 1.947 0 40 EDAB CO[C@H]1CCCN(c2ccc(NC(=O)CN3C(=O)CCC3=O)cc2)C1 96122439 TXJJSPMSBHPBRH-HNNXBMFYSA-N 345.399 1.389 0 40 EDAB CC(C)(C)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCO1 390833193 DHJWFPRZWNCDNR-QWRGUYRKSA-N 336.354 1.671 0 40 EDAB O=C1[C@@H]2CN(C(=O)C3(F)CCC3)C[C@H]2CCN1Cc1cccnc1 585107817 CIPWIQKNUYCERJ-HUUCEWRRSA-N 331.391 1.781 0 40 EDAB CO[C@@H]1COC[C@@H](N(C)C(=O)c2cc(C)n(-c3ccccc3)n2)[C@@H]1O 585285462 DLCDIBLWXYVMKY-ZACQAIPSSA-N 345.399 1.027 0 40 EDAB COCc1ccc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)cc1 585260802 GDXDVKBAUVKDCK-BRWVUGGUSA-N 329.400 1.914 0 40 EDAB Cc1ccc2c(c1)N[C@@H]1[C@@H](C[C@@H](NC(=O)c3ccccn3)[C@H]1O)O2 585262328 BXKFTPNRJVQUPD-MWQQHZPXSA-N 325.368 1.495 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)Nc2ncn(Cc3ccccn3)n2)c1 69621605 PAPFGCITAYDEOK-UHFFFAOYSA-N 347.375 1.970 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCN(c3ccc(Cl)cn3)CC2)n1 71833025 VCLPCNFELMSEST-UHFFFAOYSA-N 333.823 1.897 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)[C@H]5CC5(C)C)C[C@H]4C3)ncnc21 1065987574 SAZYUTGGTAVUIA-FRRDWIJNSA-N 340.431 1.304 0 40 EDAB Cn1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1=O 44601637 FWJMRTANJHQFAS-UHFFFAOYSA-N 329.375 1.482 0 40 EDAB CC(C)n1cc(CN2CCCN(C(=O)[C@H](C)n3ccnc3)CC2)cn1 75129502 AJKKJMCASGPYNI-INIZCTEOSA-N 344.463 1.956 0 40 EDAB O=C(c1ccco1)N1CCN(c2ncc(Br)cn2)CC1 40525155 WFADYGILKHSRHP-UHFFFAOYSA-N 337.177 1.795 0 40 EDAB Cn1cc(CC(=O)N2CCN(C[C@H](O)C3CC3)CC2)c2ccccc21 85436569 XQSKNNUQWSFEMD-IBGZPJMESA-N 341.455 1.636 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)O)C2)c(Cl)c1 91294070 MGFZPGJESSHZCH-SNVBAGLBSA-N 333.793 1.513 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC[C@H](n2ccnn2)C1 583496067 ZJIFOOBIYHYCNO-XEZPLFJOSA-N 328.372 1.670 0 40 EDAB NS(=O)(=O)c1ccc(CCNC2CCC3(CC2)OCCO3)cc1 95955397 VMJIDLVUSMVSKG-UHFFFAOYSA-N 340.445 1.152 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 5568782 GUTNAQJGSFZUCL-UHFFFAOYSA-N 332.312 1.189 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 16022050 NUANHMFWMWBFGM-IPJQRFBASA-N 341.411 1.535 0 40 EDAB CN(C)C(=O)c1ccc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)nc1 19705596 XXVKCTWENYDMLO-ZDUSSCGKSA-N 327.388 1.526 0 40 EDAB Cc1nc(C)c(C(=O)N2CC[C@H](C(=O)NCCN3CCCCC3)C2)o1 19748092 KPCLZZVNZDTIPF-HNNXBMFYSA-N 348.447 1.356 0 40 EDAB Cc1[nH]ccc(=NC(=O)N2CC[C@](C)(C(=O)O)C2)c1Br 572346917 DFZARFSVOSVZFU-ZDUSSCGKSA-N 342.193 1.903 0 40 EDAB O=C(CNC(=O)c1ccc(Br)cc1)O[C@H]1CCOC1=O 5020695 RGYNWMLTKNRXHZ-JTQLQIEISA-N 342.145 1.038 0 40 EDAB CCc1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)nc1 1888844221 DCEIVSPKMYJJMV-UHFFFAOYSA-N 329.404 1.434 0 40 EDAB O=C([C@@H]1CN(c2ncc(Cl)cc2Cl)CCO1)N1CCOCC1 1888847444 FXWAAQMHAJDCIH-LBPRGKRZSA-N 346.214 1.452 0 40 EDAB O=C(NC1CN(c2ccccn2)C1)c1cncc(Br)c1 1888854700 RSQRKZVXCCUPCG-UHFFFAOYSA-N 333.189 1.858 0 40 EDAB O=C(CS(=O)(=O)c1ccccc1)Nc1nnc(-c2ccco2)o1 4496387 DMTNDPQOYQDXDD-UHFFFAOYSA-N 333.325 1.742 0 40 EDAB CNC(=O)[C@@H]1CCc2ncc(CNC(=O)[C@@]3(C)CC=CCC3)n2C1 2055772433 IPRRSTXSNGVFTH-ACJLOTCBSA-N 330.432 1.554 0 40 EDAB Cc1nc(CN2CCC[C@](C(=O)N(C)C)(n3cccn3)C2)cs1 2055771641 OGPWWQDCBNPEFI-INIZCTEOSA-N 333.461 1.728 0 40 EDAB CCCc1nnsc1C(=O)NCc1ccnc(N2CCCC2=O)c1 575620876 WFVLSIFVQQGSCO-UHFFFAOYSA-N 345.428 1.942 0 40 EDAB CN1C[C@@H](C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1=O 40073729 UVFRAXVYRKEIIV-NSHDSACASA-N 341.864 1.524 0 40 EDAB C[C@H](Sc1n[nH]c(=O)n1C)C(=O)N[C@H]1CCCc2ccccc21 40161932 XRSQRQQSHGUUSI-GWCFXTLKSA-N 332.429 1.783 0 40 EDAB CC(C)Oc1cccc([C@@H](C)NS(=O)(=O)N2CCOCC2)c1 40105707 LIDJOEJTLBTMKO-CYBMUJFWSA-N 328.434 1.701 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)c1ccccc1Cl 30848424 ZZEBAFMDYFVWNE-CYBMUJFWSA-N 340.807 1.774 0 40 EDAB COc1cc(F)ccc1NCC(=O)N(C)CC(=O)NC(C)(C)C 50783066 FUQWRXUJJVBHNO-UHFFFAOYSA-N 325.384 1.619 0 40 EDAB O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1O 100635788 ZDCDOZFPRHZADM-LWWSYDQCSA-N 341.367 1.321 0 40 EDAB aggregator NC(=O)C1CCN(C(=O)NCc2ccc(-n3cccn3)cc2)CC1 40549275 SUOIXNSJHCIIIV-UHFFFAOYSA-N 327.388 1.279 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccnc3)nc2)cc1 40529225 BQYQQODSGAWYAQ-UHFFFAOYSA-N 343.368 1.167 0 40 EDAB C[C@H]1CN(c2ccccc2NC(=O)NCC(=O)N(C)C)C[C@@H](C)O1 40555102 COEAORXWBQNNGC-BETUJISGSA-N 334.420 1.510 0 40 EDAB O=C(O)CCC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccco1 20518994 GKHIXWLNCDBXRW-HNNXBMFYSA-N 329.312 1.742 0 40 EDAB O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 300706 HYSHAFVVVSJQPV-UHFFFAOYSA-N 348.399 1.972 0 40 EDAB COc1ccc2oc(C)c(C(=O)NCC3(C(N)=O)CCOCC3)c2c1 52745325 QHCQNMXZNISKDF-UHFFFAOYSA-N 346.383 1.762 0 40 EDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCc1ccccn1 103031474 VQOZDZNLTSPMKW-GASCZTMLSA-N 329.400 1.306 0 40 EDAB Cc1ccc2c(c1)C(=O)N1CCCC3=NN(CCO)C(=N)C3=C1N2 33561212 KMWOQGYEIGHEAN-UHFFFAOYSA-N 325.372 1.509 0 40 EDAB CCN(CC)C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 22625198 VNUDBGVSVKKCJM-UHFFFAOYSA-N 344.433 1.241 0 40 EDAB Cc1c(C(=O)N2CCC(CC(N)=O)CC2)nnn1-c1ccc(F)cc1 53890127 TYVHTNMTHOCMDU-UHFFFAOYSA-N 345.378 1.442 0 40 EDAB Cc1noc([C@@H]2CCCN(C(=O)c3ccc(CNC(N)=O)cc3)C2)n1 54121572 BMNZRPACAXUQNI-CQSZACIVSA-N 343.387 1.566 0 40 EDAB CN(C)c1nc(N)nc(CN(C)C2CCN(c3ccccn3)CC2)n1 83206645 YKEJQVNMZSCDMZ-UHFFFAOYSA-N 342.451 1.016 0 40 EDAB CC(=O)c1c[nH]c(C(=O)N2CCN(c3cc(Cl)ncn3)CC2)c1 78994283 UBRLRCAOTRFUEU-UHFFFAOYSA-N 333.779 1.623 0 40 EDAB Cc1cnc(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)cn1 24797526 LLQXNAZTYHFQTN-UHFFFAOYSA-N 336.399 1.916 0 40 EDAB O=C(CNC(=O)c1ccccc1)O[C@H](C(=O)O)c1ccc(F)cc1 1571998 ZPGGRVCGOMUFDI-HNNXBMFYSA-N 331.299 1.925 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2nccnc2c1 55443591 XIVHKCVSJFBGHT-CQSZACIVSA-N 334.401 1.382 0 40 EDAB CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1 55548564 WBYMFWQPVXLTKW-UHFFFAOYSA-N 348.380 1.887 0 40 EDAB Cc1nc(CN2CCC[C@@H](N[C@H](C)C(=O)NCc3ccco3)C2)no1 106869357 YIXOHBWQHXKWQK-TZMCWYRMSA-N 347.419 1.230 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)Nc2cccc3cccnc23)CC1 43529427 QYJFARUDMUFECH-UHFFFAOYSA-N 334.401 1.344 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1C 6425255 NQZRQLHOFRZSPA-LLVKDONJSA-N 328.434 1.585 0 40 EDAB CCSC(SCC)[C@@H](SCC)[C@@H](O)[C@H](O)[C@H](O)CO 4946659 HKZRBEFUFOTRGP-ZNSHCXBVSA-N 330.537 1.015 0 40 EDAB CCN(CC)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 4983019 MVPLESYWEIKXQB-UHFFFAOYSA-N 344.433 1.338 0 40 EDAB Cn1cccc1/C=C(/NC(=O)c1ccccc1)C(=O)NCCCO 4983634 ITUHTZGUQCEKMS-DTQAZKPQSA-N 327.384 1.295 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1 6326721 DAPOICMUVSJLMA-UHFFFAOYSA-N 340.445 1.622 0 40 EDAB Cc1cc(Cl)ccc1OCCCNC(=O)N1CC[C@@H](C(N)=O)C1 56961477 SSHOMNAZPCVIRU-GFCCVEGCSA-N 339.823 1.934 0 40 EDAB CCCCn1c(SCc2cc(=O)n3c(C)cccc3n2)n[nH]c1=O 7219446 IYETVAGINGOGMT-UHFFFAOYSA-N 345.428 1.980 0 40 EDAB CNC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7996219 SNNLCVISDNPNDT-UHFFFAOYSA-N 343.383 1.416 0 40 EDAB NS(=O)(=O)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 95395124 HZSKHDPXEXXXFZ-NSHDSACASA-N 326.353 1.140 0 40 EDAB C[C@@H](CO)NC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 44355633 BPBMLWJOTNHJHW-NSHDSACASA-N 326.418 1.905 0 40 EDAB CSC(=S)O[C@@H]1CS(=O)(=O)C[C@H]1OC(=S)SC 100847097 HWYBLTROVZVYKR-PHDIDXHHSA-N 332.515 1.481 0 40 EDAB O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCCCC1 58265372 BINMJOMRGRJPBF-UHFFFAOYSA-N 347.440 1.916 0 40 EDAB CC[C@@H](Nc1cccc(OCC(=O)NC)c1)C(=O)Nc1cc(C)on1 44934022 LAJNLPZHTCQCAH-CQSZACIVSA-N 346.387 1.937 0 40 EDAB CS(=O)(=O)c1ccc([C@H](O)CNCc2ccc3c(c2)OCO3)cc1 44974126 XURLWEFIASVMBT-OAHLLOKOSA-N 349.408 1.642 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)NC[C@@H](c1ccco1)N(CC)CC 58344068 GTAKQKPOAGFZCJ-KBPBESRZSA-N 344.477 1.992 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)CN(C)Cc2ccccc2)C1=O 58402314 FZTMKPPQMRXDLX-HOTGVXAUSA-N 333.432 1.446 0 40 EDAB Cn1nccc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 108534014 ZDKXYLFRLHBVAL-SJLPKXTDSA-N 332.448 1.966 0 40 EDAB O=C1O[C@@H]2CC[C@H]3[C@H]2[C@H]2[C@H]4[C@H]5[C@H]6[C@@H]7[C@H]8CC[C@H]7O[C@H](O)[C@]6([C@H]43)[C@@]12[C@H]85 104294398 AZMXBLVUVMAYAD-UTTYVUMQSA-N 326.392 1.419 0 40 EDAB Cn1c(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)n[nH]c1=S 75134570 KUNABVGPGHVRAT-NSHDSACASA-N 345.428 1.685 0 40 EDAB Cc1cccc(CN2C[C@H]3O[C@H](C[C@H]3C(=O)NCc3ccco3)C2)n1 107266395 RSCUWESSQWJLFV-KZNAEPCWSA-N 341.411 1.889 0 40 EDAB O=C(NCCNc1ncccn1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 47057668 PFVQLKDDIYUMOP-GASCZTMLSA-N 349.435 1.258 0 40 EDAB c1csc(CN2CCOC[C@@]3(C[C@@H](Cn4cnnc4)CO3)C2)c1 107243795 TWSUUXRJZJOGMH-GOEBONIOSA-N 334.445 1.647 0 40 EDAB Cc1cccc(N2CCN(CCNC(=O)c3ccnc(C)n3)CC2)c1 48287262 AJQMYJMITXTWJY-UHFFFAOYSA-N 339.443 1.645 0 40 EDAB Nc1nnc(SCC(=O)OCC(=O)NC2CCCCC2)s1 3358667 PWAZUDBJLPYAJY-UHFFFAOYSA-N 330.435 1.205 0 40 EDAB O=C(COC(=O)c1ccc(O)cc1)NC(=O)NCc1ccccc1 3507722 KPKGHKQPWKKTPG-UHFFFAOYSA-N 328.324 1.575 0 40 EDAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NC(C)C)CS[C@H]21 4074026 ORQDLNHJWQFIKH-MGPLVRAMSA-N 336.413 1.798 0 40 EDAB biogenic COc1cc([C@@H]2[C@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)ccc1O 19771442 NKAAALBAEMIJHC-BRSBDYLESA-N 334.368 1.619 0 40 EDAB O=C([C@@H]1CCCN1Cc1nc(-c2ccco2)no1)N1CCSCC1 65475426 AABWSGMIRAJLRS-LBPRGKRZSA-N 348.428 1.869 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)c1ccn(-c3ccc(F)cc3)n1)CC2 65463518 FTWDBUOSGTVHEV-CYBMUJFWSA-N 340.362 1.656 0 40 EDAB CCOc1ncnc2c1CN(CC(=O)N(C)Cc1ccsc1)CC2 65462426 GUBGQRMMRMHWBV-UHFFFAOYSA-N 346.456 1.954 0 40 EDAB C[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CCO1 14159745 NBFTTYPBIMGPTD-CYBMUJFWSA-N 334.391 1.925 0 40 EDAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)NC(=O)NCc1ccco1 5492081 YPYSEGVFMXPNGO-UHFFFAOYSA-N 344.306 1.098 0 40 EDAB C=CC(=O)NCCNC(=O)[C@H](C)Oc1cccc(Br)c1 96426466 PTDKPFJHAVULIQ-JTQLQIEISA-N 341.205 1.635 0 40 EDAB CCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC 22248401 ZFOOEKQNNKQTGP-UHFFFAOYSA-N 348.852 1.885 0 40 EDAB Cc1ccc([C@@H]2CN(C(=O)NCc3nnc4ccccn34)CCO2)o1 95437482 BWHPJWNJHAKGEW-AWEZNQCLSA-N 341.371 1.914 0 40 EDAB COc1ncccc1CNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 71847329 FSMYESSATCWPPO-JTQLQIEISA-N 327.340 1.740 0 40 EDAB Cn1c(CN2CCO[C@H](Cn3cncn3)C2)nc2cc(Cl)ccc21 71876597 YQCRFRSOSVQTKB-ZDUSSCGKSA-N 346.822 1.719 0 40 EDAB CC(=O)N1CCN(C(=O)c2c(C)oc(C)c2Br)CC1 71802737 IXOLSOGYCVTTTN-UHFFFAOYSA-N 329.194 1.963 0 40 EDAB NC(=O)COc1cccc(C(=O)N2CCCC[C@H]2Cn2cccn2)c1 71865211 YWNLWZACQWOUNU-HNNXBMFYSA-N 342.399 1.442 0 40 EDAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CCOCC(F)(F)F 71945018 ASWABLVOVYAASZ-AWEZNQCLSA-N 344.289 1.795 0 40 EDAB CCCNC(=O)[C@H](C)NC(=O)CCS(=O)(=O)c1ccc(C)cc1 7627475 FEMCBGSHSUGGLQ-ZDUSSCGKSA-N 340.445 1.190 0 40 EDAB Cc1ccc(C(=O)NCCNC(=O)[C@@H]2CCC(=O)C[C@H]2C)cc1F 95447035 RLTMTFOEUMFVET-IUODEOHRSA-N 334.391 1.985 0 40 EDAB COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3cnn(C)c3)C2=O)c1 81512353 FCWDXBHMGQODSI-QGZVFWFLSA-N 344.415 1.675 0 40 EDAB O=C(NCC(=O)N(C1CC1)[C@H]1CC(O)=NC1=O)OCc1ccccc1 96703784 WWZLTMBJNYZHJM-ZDUSSCGKSA-N 345.355 1.159 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 8270521 QCOFYEOLOMAGRL-BEFAXECRSA-N 341.411 1.901 0 40 EDAB O=C(Nc1nncs1)N1CCN(C[C@H](O)c2ccccc2)CC1 70010018 ZVRCMFVNDXIMFN-ZDUSSCGKSA-N 333.417 1.421 0 40 EDAB C[C@H]1CCCCN1c1cc(C(=O)N2CCC[C@H](C(N)=O)C2)ccn1 69379567 FCXYQLHDTVAAGD-ZFWWWQNUSA-N 330.432 1.798 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@H]1COc3ccc(Cl)cc3C1)C2 69451621 VWILRCMRYGPXJZ-GFCCVEGCSA-N 332.791 1.833 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)N(C)Cc3cccs3)CCO2)c1 69451518 CPLQGZPDJHGCBB-HNNXBMFYSA-N 348.472 1.612 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@H]2CCCN(c3ncccn3)C2)c(=O)[nH]1 84072669 PFSVOTURDMXBBI-AWEZNQCLSA-N 341.415 1.315 0 40 EDAB CCc1nc(CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)no1 69564240 PCGLIGCSUHTFQE-SNVBAGLBSA-N 328.328 1.684 0 40 EDAB CC(C)N(CC(N)=O)C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 69518512 SWNQGYZAZZUBRT-UHFFFAOYSA-N 341.452 1.746 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NC(=O)[C@H](C)N1CCc2ccccc2C1 69661612 WFPLQVZKFYEGMI-NSHDSACASA-N 327.388 1.202 0 40 EDAB Cn1cc([C@H]2CCCN2C(=O)CN2C(=O)COc3ccccc32)cn1 69877652 VUQULKLZXJUNGE-CQSZACIVSA-N 340.383 1.509 0 40 EDAB CCOC(=O)CN(C)C(=O)CN(C)CCOc1ccccc1OC 69842638 JKTGPFPMICWJAS-UHFFFAOYSA-N 338.404 1.027 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2cn(C)nc2C2CCCCC2)CC1 69978112 ISCFCGLPZKARAU-CQSZACIVSA-N 334.464 1.606 0 40 EDAB O=C1CN(C(=O)NCCC(=O)N2CCCCCC2)c2ccccc2N1 8914357 ZAFHOQIHEGKJNJ-UHFFFAOYSA-N 344.415 1.947 0 40 EDAB COc1cccc([C@H](CNC(=O)N[C@H](C)Cn2cccn2)N(C)C)c1 89904374 GALLJPSDLPBHCK-PBHICJAKSA-N 345.447 1.882 0 40 EDAB CS(=O)(=O)c1ccc(CCNC(=O)c2n[nH]c3ccccc23)cc1 72297202 KSIVQAOZLOARQP-UHFFFAOYSA-N 343.408 1.939 0 40 EDAB C[C@@H](CO)NC(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 97165652 GPYZKRIEXGKPDN-ZDUSSCGKSA-N 340.387 1.619 0 40 EDAB CN1CCN(c2ncc(CN(C)CCc3ccncc3)cn2)CC1 97113787 FZXKCTJPZFJSHM-UHFFFAOYSA-N 326.448 1.298 0 40 EDAB COc1ccc(CN(C)CC(=O)NC2CCC3(CC2)OCCO3)cn1 89356252 OHZWZORVWWMPTH-UHFFFAOYSA-N 349.431 1.324 0 40 EDAB CC1(C)[C@@H](C(=O)N2CCN(CCOc3ccccc3)CC2)[C@H]1C(=O)O 72403545 SVAYXKHBAAAMPE-CVEARBPZSA-N 346.427 1.566 0 40 EDAB C[C@@H](Oc1ccc(S(C)(=O)=O)cc1)C(=O)NCC(F)(F)F 72564704 JEHHWDIZVVNQGL-MRVPVSSYSA-N 325.308 1.536 0 40 EDAB O=C(NCCOc1ccc2c(c1)OCO2)c1ccn2ccnc2c1 84490090 FOQVUQWTIUUAGE-UHFFFAOYSA-N 325.324 1.872 0 40 EDAB CCOC(=O)c1cnc2cc(OC)c(OC)cc2c1N1CCNCC1 62718762 RZTFYDWEFRFKJT-UHFFFAOYSA-N 345.399 1.838 0 40 EDAB CCc1nnc(O)c(CNC(=O)[C@H]2CCc3cnc(C)n3C2)c1CC 553516666 CDIVUMXIUHAYDR-LBPRGKRZSA-N 343.431 1.691 0 40 EDAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N1CCNC1=O 32853893 DZBMUPAUNGUWHI-MRVPVSSYSA-N 336.348 1.908 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(CN)C(=O)O)cc1 218047860 OOZWHILKDKLSDA-LZLYRXPVSA-N 345.420 1.964 0 40 EDAB CNC(=O)c1cc(S(=O)(=O)NCCCOC(C)C)ccc1C 408600692 CCBBDFQYQMOJIJ-UHFFFAOYSA-N 328.434 1.448 0 40 EDAB COCCNS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1 217598581 YXUAKYNFCGGHTD-UHFFFAOYSA-N 342.417 1.300 0 40 EDAB O=C(Cn1nc(-n2cccn2)ccc1=O)Nc1ccc(F)c(Cl)c1 70655876 OJQNHFWWZRBHMG-UHFFFAOYSA-N 347.737 1.860 0 40 EDAB C[C@@H](NC(=O)C(=O)NC[C@H](O)Cc1ccccc1)c1ccccc1 70639376 ANMRZDNZTZOIGG-RHSMWYFYSA-N 326.396 1.584 0 40 EDAB O=C(CNCC(F)(F)F)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 79047261 OUPDDXCYNFBPSM-CYBMUJFWSA-N 349.397 1.780 0 40 EDAB NC(=O)c1ccccc1OCc1noc(C(=O)NC2CCCCC2)n1 36356892 ISKPIMLIJSOJMH-UHFFFAOYSA-N 344.371 1.810 0 40 EDAB CN1CCN([C@H](c2ccc(O)cc2)c2nnnn2C(C)(C)C)CC1 35311167 GPWYZCFQOGCOMM-OAHLLOKOSA-N 330.436 1.471 0 40 EDAB O=c1ncc2c(cnn2[C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1 32642342 IYYJGEVQBFYXQQ-CYBMUJFWSA-N 344.396 1.001 0 40 EDAB CN(C)C(=O)CN1CCC(NC(=O)c2cc3ccccn3c2)CC1 73515630 RWSBBWUWJXHWDK-UHFFFAOYSA-N 328.416 1.222 0 40 EDAB Cc1cc(N2CCO[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)ncn1 72388004 XVPUKQSSFUOVJJ-OAHLLOKOSA-N 327.388 1.460 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3cccc4cn[nH]c34)CC2)no1 79001485 MEXHTGGHELOKSO-UHFFFAOYSA-N 326.360 1.212 0 40 EDAB COc1c(C)c2c(c(O)c1C[C@H](O)[C@@]1(C)CCC(=O)O1)C(=O)OC2 14455554 WSNMPAVSZJSIMT-APPDUMDISA-N 336.340 1.379 0 40 EDAB biogenic,in-vitro O=C(CCc1ccccc1)NC1CCN(C(=O)c2cc[nH]n2)CC1 49749256 WXMJINYKJAUTOX-UHFFFAOYSA-N 326.400 1.763 0 40 EDAB CCN(C(=O)c1ccn(Cc2ccccc2)c1)[C@H]1CC(=O)NC1=O 195557786 RWIGRRFJIIOUHK-HNNXBMFYSA-N 325.368 1.414 0 40 EDAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 227161564 XFKKVNDETBWJHC-UWVGGRQHSA-N 326.374 1.227 0 40 EDAB C[C@H](Oc1ccccc1)C(=O)NCCn1nnc2ccccc2c1=O 225796891 JWUSTTXMYPEEJZ-ZDUSSCGKSA-N 338.367 1.375 0 40 EDAB COc1ccccc1CN1C(=O)CC[C@@H]1C(=O)Nc1nncs1 223407038 QXZMDZVZOZQUBI-LLVKDONJSA-N 332.385 1.676 0 40 EDAB O=C(NCCc1c[nH]c2ccccc12)NC[C@H]1CCS(=O)(=O)C1 45654302 HOEHXNWLZXMLQB-GFCCVEGCSA-N 335.429 1.444 0 40 EDAB NC(=O)[C@H]1CCCN(c2ccccc2CNC(=O)/C=C/C2CC2)C1 80022740 WZKOPSYIPNSBKC-SCOAYWHSSA-N 327.428 1.971 0 40 EDAB Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2nccs2)cn1 96061724 GYZWLZWABWRSRS-CVEARBPZSA-N 347.488 1.394 0 40 EDAB Cc1cccc(CN2CCCn3c(CN4CCCC4)nnc3C2)n1 96259715 LZCZYGINDAHHAL-UHFFFAOYSA-N 326.448 1.983 0 40 EDAB CCS(=O)(=O)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 96074972 MOYNSOFIVYOIJE-UHFFFAOYSA-N 344.458 1.296 0 40 EDAB COc1ccc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)nc1 580397468 YJSZVHPTBUOFHI-UHFFFAOYSA-N 339.403 1.471 0 40 EDAB CC(C)n1cnc2c1[C@@H](C(=O)NCCO)N(Cc1ccccc1)CC2 96037529 NDSPJPSFWGVRKG-SFHVURJKSA-N 342.443 1.672 0 40 EDAB c1cnc(N2CCC[C@@]3(CN(Cc4nccs4)CCO3)C2)cn1 96049140 DJYOPWJBUVKPDH-MRXNPFEDSA-N 331.445 1.805 0 40 EDAB CCCn1nnnc1CN(Cc1nccs1)[C@H]1CC12CCNCC2 583615141 KHZMBUUBGRGROS-ZDUSSCGKSA-N 347.492 1.684 0 40 EDAB COC(=O)CCCN1CCN(c2ncc(Br)cn2)CC1 96407711 ADVAVFGRNJGIEE-UHFFFAOYSA-N 343.225 1.314 0 40 EDAB CN1CC[C@H](NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)C1=O 96440682 SPKYMXDQFLRQMZ-HNNXBMFYSA-N 345.378 1.084 0 40 EDAB CCO[C@H]1CCOC2(C1)CN(S(=O)(=O)c1cccc(F)c1)C2 248375840 BQKQSVXRHLFHNW-ZDUSSCGKSA-N 329.393 1.784 0 40 EDAB Cc1nc(S(=O)(=O)N2CCOc3c(F)ccc(F)c32)cn1C 585090281 PRGDMKKEPNPPBP-UHFFFAOYSA-N 329.328 1.594 0 40 EDAB Cc1cc(C)c(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)o1 520994197 DSQMLTIDERMTKA-UHFFFAOYSA-N 335.448 1.423 0 40 EDAB CC(C)(C)OC(=O)NC[C@@H](NCCN1CCCC1=O)C(F)(F)F 585116412 UPLBQROWLVDJHS-SNVBAGLBSA-N 339.358 1.654 0 40 EDAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1ccsc1)C2 253490101 HMIRAXPWJVVARI-CQSZACIVSA-N 344.502 1.668 0 40 EDAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN2CC2(O)CCOCC2)n1 257260528 LDGNKIYPWZDHFM-MRXNPFEDSA-N 343.431 1.854 0 40 EDAB COc1cccc(C[C@H](C)NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 252477123 INFREFJVDBIQKN-ZVZYQTTQSA-N 347.459 1.789 0 40 EDAB O=C1NCCC[C@H]1NC(=O)C1(Cc2ccccc2F)CCOCC1 257326377 WWZLHSIRHPOYRD-OAHLLOKOSA-N 334.391 1.560 0 40 EDAB COc1ccc([C@H]2CNCCN2C(=O)CCCn2ccnc2)cc1 257222414 DTESNGIUSCMRAD-QGZVFWFLSA-N 328.416 1.845 0 40 EDAB Cc1nc(Nc2nccs2)cc([C@@H]2CCN(CC(=O)N(C)C)C2)n1 257232239 GJYCUPVBDUZPAQ-GFCCVEGCSA-N 346.460 1.863 0 40 EDAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccccn1 85467747 PETURAKHUFZVJZ-HNNXBMFYSA-N 342.374 1.587 0 40 EDAB Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN2c2cnccn2)n1 257206559 BDZUEONCADSSTM-QGZVFWFLSA-N 326.404 1.792 0 40 EDAB Cc1ncc(-c2cncc(CC3CCN(S(C)(=O)=O)CC3)n2)n1C 257339086 ZADLWMNTRCEMJN-UHFFFAOYSA-N 349.460 1.400 0 40 EDAB COCC(=O)N1CCC(Cc2nccnc2N2C[C@@H](C)OC2=O)CC1 257335450 YKFHQCJRKWFCHO-GFCCVEGCSA-N 348.403 1.249 0 40 EDAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@H](C)C(C)C)O2 260907971 VGWGAHWDLSEHED-IUODEOHRSA-N 340.445 1.683 0 40 EDAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC=C(F)C2)c1 272040568 CKORFZONTSQGKM-UHFFFAOYSA-N 326.393 1.993 0 40 EDAB COc1cccc(C(=O)N2[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)n1 1615545448 AJJRDLFLPRQIHN-KKUMJFAQSA-N 345.399 1.085 0 40 EDAB Cn1cc(S(=O)(=O)Nc2cccc([C@@H](O)C(F)(F)F)c2)cn1 1615572327 WXJZPWOBSUCHQF-LLVKDONJSA-N 335.307 1.817 0 40 EDAB Cc1ccn2ncc(C(=O)N3CCCC[C@@H]3CS(C)(=O)=O)c2n1 1615590423 MVAMCIOMNZMSES-GFCCVEGCSA-N 336.417 1.077 0 40 EDAB CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](C(C)(C)C)C1 390834240 UZNMZTNCQWDLQN-LBPRGKRZSA-N 340.511 1.014 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCN(c3nccn4cnnc34)C2)c(C)o1 575414424 FKGPIRZWBIHYBX-LBPRGKRZSA-N 326.360 1.343 0 40 EDAB O=C(NCC(F)(F)F)C1=NO[C@]2(CCCN(c3cnccn3)C2)C1 585101241 PZGMQGABYKZPRM-CYBMUJFWSA-N 343.309 1.270 0 40 EDAB Cn1cnc(C(=O)N2CC[C@]3(CCC[C@H](CN4CCCC4)O3)C2)n1 585102640 DGTZKLKOQMMVHT-RHSMWYFYSA-N 333.436 1.065 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)CCn1ccnc1C(C)C 585287070 SIJKWVCAHYOADJ-FMKPAKJESA-N 339.436 1.284 0 40 EDAB CCOCC(=O)N1CCC[C@H](NC(C)=O)[C@@H]1Cc1ccc(F)cc1 585275056 VAPPFOMPQBIJOJ-IRXDYDNUSA-N 336.407 1.900 0 40 EDAB CNc1ncc(CN2CC[C@](COc3ccc(F)cc3)(OC)C2)cn1 585279252 YIPGJGMLNXBBIX-SFHVURJKSA-N 346.406 2.327 0 40 EDAB CC(C)NC(=O)[C@@H]1CCC2(CCN(C(=O)C3(F)CCC3)CC2)O1 585113412 CCCUDQQFGACTKZ-ZDUSSCGKSA-N 326.412 1.943 0 40 EDAB O=C(C1CC(O)C1)N1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@@H]21 585108262 IYUPKOMLFXYBMP-ZTJXHEDMSA-N 346.427 1.375 0 40 EDAB O=C(NCc1cc[nH]n1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 71853759 PDIGEWHWGBUZMO-UHFFFAOYSA-N 337.265 1.334 0 40 EDAB COc1cccc(N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)c1 44289113 RHHFKANUSIXPEF-CQSZACIVSA-N 331.416 1.212 0 40 EDAB O=C(CN1C(=O)CCOc2ccccc21)NCCN1CCCCC1 40534256 NMNXCIQYHIDPQJ-UHFFFAOYSA-N 331.416 1.404 0 40 EDAB COCCn1cc(CNC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cn1 76042651 HKHRRDHBDLQSBP-AEFFLSMTSA-N 347.463 1.747 0 40 EDAB O=C(CCc1ccccc1OC(F)(F)F)N1CCN(CCO)CC1 78783413 LGRULTNUHAIEMV-UHFFFAOYSA-N 346.349 1.654 0 40 EDAB CC(=O)N1CCN([C@H]2CN(Cc3ccncc3Cl)C[C@@H]2C)CC1 78896091 YIOXBHHIKVOYPI-GUYCJALGSA-N 336.867 1.719 0 40 EDAB CCOC(=O)[C@H]1CN(C(=O)CC(C)C)CCN1C(=O)CC(C)C 78879268 LFUCDQWJCOLWML-CQSZACIVSA-N 326.437 1.681 0 40 EDAB CCCN(CCC)Cc1cc(C(=O)NCC2(C(=O)OC)CC2)no1 584908771 RZQTWUPVWBEAFA-UHFFFAOYSA-N 337.420 1.980 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](c2ccn(C)n2)C1 585389687 JYYXRVJDGCEWCR-CYBMUJFWSA-N 337.449 1.339 0 40 EDAB O=C1NC(=S)N/C1=C/c1cccc(I)c1 183243 DATPEYWNNVMCRM-VMPITWQZSA-N 330.150 1.636 0 40 EDAB O=C(CCn1cncn1)N1Cc2ccccc2OC2(CCOCC2)C1 12121780 YZHZDPYZKSWTTI-UHFFFAOYSA-N 342.399 1.639 0 40 EDAB CN1C(=O)N(CC(=O)NCc2cccs2)c2cccnc2N1C 12145113 VANJPQFHQDCVKI-UHFFFAOYSA-N 331.401 1.683 0 40 EDAB C[C@H](NC(=O)[C@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)CCC2 12194967 DPHUBNDNMQZDOO-BLLLJJGKSA-N 334.441 1.553 0 40 EDAB COc1ccccc1C[C@@H](C)NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 12196665 ACUBDKJITCKJJW-PXAZEXFGSA-N 342.399 1.669 0 40 EDAB Cn1c(=O)oc2cc(NC(=O)[C@@H]3COc4ccccc4O3)ccc21 13365300 PNSONHPWVOIXJK-HNNXBMFYSA-N 326.308 1.910 0 40 EDAB COCCNC(=O)CCn1cnc2c([nH]c3ccc(F)cc32)c1=O 14001202 ZFLNDJMGXXKRFC-UHFFFAOYSA-N 332.335 1.170 0 40 EDAB CC(C)c1cc(C(=O)NN2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cs1 17070463 VCCBENNLQWTAGS-QZHINBJYSA-N 334.397 1.679 0 40 EDAB CC(=O)NCCn1nc([C@H]2CCN(CC3CC3)C2)c2nccnc21 19021543 OCUZVIRJTNUAQJ-AWEZNQCLSA-N 328.420 1.162 0 40 EDAB O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1cn2ccccc2n1 532245176 HYOBNIIMWPYTIC-CYBMUJFWSA-N 326.400 1.998 0 40 EDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1F 5871571 XTTGBWJLFUEIFR-UHFFFAOYSA-N 340.310 1.999 0 40 EDAB O=C([C@H]1CN(c2cc(C(F)(F)F)ncn2)CCO1)N1CCCCC1 1888835040 IZPPYJYHSNWEFE-LLVKDONJSA-N 344.337 1.713 0 40 EDAB O=C1CO[C@@]2(CCCN(Cc3cnc[nH]3)C2)CN1c1cccc(F)c1 2037840819 SFWIVEIMHVZJFD-GOSISDBHSA-N 344.390 1.947 0 40 EDAB CCOc1ccc(CC(=O)NCc2nnc3c(O)nccn23)cc1 253396102 DATXGOTYZOXWIG-UHFFFAOYSA-N 327.344 1.088 0 40 EDAB O=C1NC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)c2ncccc21 1565545711 LLFAYZSPAOMNKA-UHFFFAOYSA-N 338.367 1.822 0 40 EDAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)C3CC3)sc2c1 6712104 CCSTWUIGPCZHNS-UHFFFAOYSA-N 325.415 1.895 0 40 EDAB COCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10324028 WFARQCCGCZNJCJ-LLVKDONJSA-N 326.418 1.164 0 40 EDAB NC(=O)C1CCN(S(=O)(=O)CCCOc2ccc(F)cc2)CC1 12440835 NKPNOFMDCPATAE-UHFFFAOYSA-N 344.408 1.122 0 40 EDAB Cc1cc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)no1 13701953 IBDNMTVTHPOIIL-UHFFFAOYSA-N 333.373 1.852 0 40 EDAB CC(=O)c1cc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)NC3CCC3)C2)n[nH]1 2055816040 IEPOWFDIFKIHNF-SJKOYZFVSA-N 330.388 1.133 0 40 EDAB CCc1ncnc(N2CCC(N(C)S(=O)(=O)C3CC3)CC2)c1F 2086887081 ZHXWEFVUZJNWLB-UHFFFAOYSA-N 342.440 1.571 0 40 EDAB O=C(CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccco1 35598463 KZWMFFDAQDQASU-UHFFFAOYSA-N 342.351 1.649 0 40 EDAB CS(=O)(=O)N1CCC(CNC(=O)Cc2ccc(Cl)cc2)CC1 43979797 KJRKZZXNAOGTPC-UHFFFAOYSA-N 344.864 1.670 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccco2)cc1 75156287 AYZKNCTTZSIMLI-QGZVFWFLSA-N 346.339 1.029 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 488759 RPLVXQQSZPUKAE-OAFZBRQQSA-N 327.380 1.920 0 40 EDAB biogenic Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@H](c1ccccc1)N(C)C 40288243 JHSSHTHOGVGKMG-OAHLLOKOSA-N 343.431 1.395 0 40 EDAB COc1ncccc1C(=O)N1CCN(Cc2csc(C)n2)CC1 31261904 GVLVJUUZPZEFRS-UHFFFAOYSA-N 332.429 1.813 0 40 EDAB CN(C)c1nc(N)nc(CN2CCC(OCc3ccccc3)CC2)n1 40477326 UECVZPSXKSECJC-UHFFFAOYSA-N 342.447 1.701 0 40 EDAB COc1cc(C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)ccc1OC(F)F 101458451 YZWDQBSFEHICKC-QWRGUYRKSA-N 340.326 1.790 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)c1cccc(N2CCNC2=O)c1 52615878 XSLLBRHXDPYFCP-MRXNPFEDSA-N 337.379 1.950 0 40 EDAB O=C(NC[C@H]1CCOC1)c1ccc(S(=O)(=O)N2CCCCC2)o1 41366079 ZHMBWYGZHAVRDE-GFCCVEGCSA-N 342.417 1.221 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)N2CCN(c3ncccn3)CC2)C1 103366466 XMTSCLURFIGDNY-XHSDSOJGSA-N 331.464 1.492 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1 34951 UZTTUUREHXVWQP-UHFFFAOYSA-N 325.434 1.360 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)N1 54705365 YKGBTSJLLCKODM-UHFFFAOYSA-N 345.443 1.794 0 40 EDAB O=C(C[C@H]1SC2=NCCN2C1=O)Nc1ccc(N2CCCC2)cc1 61718486 RXIXSLOULLKIEX-CQSZACIVSA-N 344.440 1.929 0 40 EDAB C[C@H](NC(=O)NC[C@@H](c1ccco1)N(C)C)c1nnc2ccccn12 43137571 NIHHIGCENQWUGW-STQMWFEESA-N 342.403 1.985 0 40 EDAB COc1ccc(CNC(=O)CNC(=O)[C@@H](C)N2CCCCCC2)cc1 78725526 AWOKYXDKQVVOIH-OAHLLOKOSA-N 347.459 1.692 0 40 EDAB NC(=O)c1cn(CC(=O)NCc2ccc(Cl)cc2)c(C2CC2)n1 79099550 HFJWRRFDQMUEKE-UHFFFAOYSA-N 332.791 1.829 0 40 EDAB CC[C@H](CNC(=O)CN1CCN(C[C@H](C)O)[C@H](C)C1)c1ccccc1 106868036 VCWLLFSDIIVTSD-FGTMMUONSA-N 347.503 1.683 0 40 EDAB C[C@H](O)CN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)C[C@@H]1C 106929140 XFYRDMSYPJQQIU-MPGHIAIKSA-N 331.460 1.393 0 40 EDAB CC(=O)N1CCc2cc(C(=O)NCCNc3cnccn3)ccc21 43839516 DASZGVZRFXHVGI-UHFFFAOYSA-N 325.372 1.228 0 40 EDAB c1ccc2c(c1)sc1nnc(Sc3ccc4nnnn4n3)n12 26028138 HEESSPGHWHZBMU-UHFFFAOYSA-N 326.370 1.928 0 40 EDAB CC(=O)N[C@@H](C(=O)N1CCC(c2nc(C)no2)CC1)C1CCCC1 108784812 XITIGDLTXYXCGZ-OAHLLOKOSA-N 334.420 1.779 0 40 EDAB Cc1csc(CN2CCN(CC(=O)Nc3cc(C)on3)CC2)n1 109013380 XFZGVRPWXVFOEP-UHFFFAOYSA-N 335.433 1.504 0 40 EDAB CC(C)NC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 10076554 DCOPOIIMJFNURP-UHFFFAOYSA-N 344.390 1.755 0 40 EDAB COc1nc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc2ccccc12 58265469 XLJNWTMXMAKDMT-NSHDSACASA-N 334.397 1.408 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCC(=O)NC(N)=O 58223133 XAVYUELQWFDARN-LLVKDONJSA-N 332.404 1.474 0 40 EDAB CC(C)N(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 58289304 MNTBFSJIKKWWCS-ZDUSSCGKSA-N 328.409 1.344 0 40 EDAB COc1ccc(CNC(=O)N2CCN(c3ccncc3)CC2)cc1O 44971949 PKNZJFBLPOVTQR-UHFFFAOYSA-N 342.399 1.828 0 40 EDAB CCc1ccc(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)s1 44911391 GJWKCSPUELHALP-DZGCQCFKSA-N 338.473 1.778 0 40 EDAB Cc1ccc(OCc2ccn(C)c(=O)c2)c(S(=O)(=O)N(C)C)c1 44978361 OSCMDYTXBWNWSF-UHFFFAOYSA-N 336.413 1.523 0 40 EDAB Cc1nc(CN2CCN(C(=O)N[C@H](C)[C@@H]3CCCO3)CC2)cs1 44970909 QXQZXGKUDNABQC-DOMZBBRYSA-N 338.477 1.846 0 40 EDAB CS(=O)(=O)NCCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 58368350 JVBSDSHPXKXSQN-CQSZACIVSA-N 340.445 1.534 0 40 EDAB O=C(NC[C@H]1COc2ccccc2O1)c1ccnc(-n2ccnc2)c1 58342148 CMZPXMYQADBDAY-AWEZNQCLSA-N 336.351 1.837 0 40 EDAB O=C(NCC1CCC1)c1cccc(CN2CCS(=O)(=O)CC2)c1 58423568 CFLHSECZGIQOOH-UHFFFAOYSA-N 336.457 1.447 0 40 EDAB O=S(=O)(NCCNc1ccccn1)c1ccc2c(c1)OCCO2 84613273 UHHXABGWHJNHHA-UHFFFAOYSA-N 335.385 1.243 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cn1 12521043 YCXRDYUTSQEKAM-UHFFFAOYSA-N 335.341 1.222 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)c(OC)co1)CC2 62001589 NJAOZSDWPAXNLT-UHFFFAOYSA-N 345.351 1.864 0 40 EDAB biogenic C[C@H]1CN(C(=O)CCn2nc(-c3cccs3)oc2=O)[C@@H](C)CO1 45448522 FJMKDCWCDCZAGL-QWRGUYRKSA-N 337.401 1.591 0 40 EDAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(F)cc1 57594139 KVTCXTZCOMMRTC-UHFFFAOYSA-N 331.347 1.815 0 40 EDAB CCCCNC(=O)CN1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 36686391 PSHQPVJUSKTUFT-UHFFFAOYSA-N 346.475 1.427 0 40 EDAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(C)=O)CC1 36684307 LTOZXGFMHOWYDU-PBHICJAKSA-N 345.443 1.522 0 40 EDAB Cn1ncc2c(SCCS(=O)(=O)c3ccccc3)ncnc21 11685852 UDNUVOHKFNWWLB-UHFFFAOYSA-N 334.426 1.929 0 40 EDAB CN(CC(=O)NCCc1ccc(F)cc1)c1ncnc2[nH]cnc12 45978503 BWVRFVJQJJJWOL-UHFFFAOYSA-N 328.351 1.287 0 40 EDAB CCN1CCC[C@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 60510923 FXGKNERUZJUNRK-ZQIUZPCESA-N 342.505 1.786 0 40 EDAB CS(=O)(=O)N1CCO[C@H]2CCN(Cc3ccccc3Cl)C[C@@H]21 108529421 RXZCPKKUOZMDFI-GJZGRUSLSA-N 344.864 1.575 0 40 EDAB Cc1ncc(CN2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)cn1 108525311 JMHSJSPXLLCROX-OALUTQOASA-N 339.443 1.655 0 40 EDAB CCN1C[C@@H](C(=O)NCC2CCN(Cc3cccs3)CC2)CC1=O 61568057 KXRVKCMWJDOMCJ-HNNXBMFYSA-N 349.500 1.945 0 40 EDAB COc1ccc(Br)c(NC(=O)NCc2ncnn2C)c1 95962273 XURXGIXYDKTJSU-UHFFFAOYSA-N 340.181 1.908 0 40 EDAB C[C@H](NC(=O)c1cc(OCC(=O)N(C)C)n(C)n1)c1ccccc1 57312649 MNAUWCQNWBFEFW-LBPRGKRZSA-N 330.388 1.378 0 40 EDAB COC(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)nc2)c1 12806772 SXTKVGFURXUSOX-UHFFFAOYSA-N 341.367 1.957 0 40 EDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccccc2F)C(=O)N1 10385083 CLQOEUCDQUZPOW-NWDGAFQWSA-N 340.376 1.318 0 40 EDAB CCn1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1cccs1 3522042 ZIASJQOSCVDCLD-SSDOTTSWSA-N 325.419 1.702 0 40 EDAB O=C(NCCOC(=O)c1ccc(-n2ccnc2)cc1)c1ccncc1 95456251 XPTUXSAODBMSIH-UHFFFAOYSA-N 336.351 1.854 0 40 EDAB COc1ccccc1COC(=O)CNC(=O)c1ccc2c(c1)OCO2 6107377 QSCTUBOLPUWGDK-UHFFFAOYSA-N 343.335 1.897 0 40 EDAB CN1C(=O)N[C@@H](c2ccc(F)cc2)C2=C1CN(C[C@@H]1CCCO1)C2=O 4345044 LIZJXKMNTBDKDQ-BBRMVZONSA-N 345.374 1.797 0 40 EDAB CCN(CC)C[C@@H](NC(=O)Cn1nc(O)ccc1=O)c1ccccc1 65554130 XIESEIACXHIVEU-OAHLLOKOSA-N 344.415 1.148 0 40 EDAB CC(C)(C)c1noc(CCCC(=O)N(CC(N)=O)C2CCCC2)n1 65534506 DTQJMHULDUOTGW-UHFFFAOYSA-N 336.436 1.946 0 40 EDAB CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)NC(N)=O 65610195 PFMUFGAOKHZUEG-QMMMGPOBSA-N 346.200 1.994 0 40 EDAB CC(C)C(=O)N1CCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 14198075 VRWRCBQCAPFBFY-GFCCVEGCSA-N 338.839 1.862 0 40 EDAB O=C1CN(Cc2nc3ccccc3[nH]2)C[C@H](O)CN1C1CCCCC1 14538504 QACBJKWYPGXTSS-HNNXBMFYSA-N 342.443 1.901 0 40 EDAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2cccc(F)c2)C1 66693721 CNTLVGQWJZRYKP-XJKSGUPXSA-N 332.375 1.737 0 40 EDAB O=C1C(=O)N(CN2CCC3(CC2)OCCO3)c2cccc(Cl)c21 71792392 YCCDBNQSUDENQH-UHFFFAOYSA-N 336.775 1.666 0 40 EDAB Cc1ccc(=O)n(CC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)n1 96407365 BQIJUMKIXCEKCM-HNNXBMFYSA-N 344.390 1.476 0 40 EDAB CC(C)(C)NC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 15858623 ZWJDUQXFQAARMX-UHFFFAOYSA-N 338.429 1.918 0 40 EDAB Cc1ccc2ncc(C(=O)N[C@H]3CS(=O)(=O)c4ccccc43)n2c1 90594855 XMRRGPBHEZMSPQ-ZDUSSCGKSA-N 341.392 1.901 0 40 EDAB O=C(Cc1cc(F)ccc1F)N[C@H]1CCN(C2CCOCC2)C1=O 81086062 GLRMIENYPHJPOM-HNNXBMFYSA-N 338.354 1.403 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1cc2c(s1)CCC2 8022216 GGMOBIBVFCPLGS-UHFFFAOYSA-N 332.429 1.956 0 40 EDAB CCCc1c(C(=O)N2CCN(Cc3ccccn3)CC2)cnn1C 71852358 NMJPZFTYUIZINA-UHFFFAOYSA-N 327.432 1.726 0 40 EDAB NC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccnc(Cl)c1 71889045 WIBXBDXSDUJEBH-UHFFFAOYSA-N 346.774 1.593 0 40 EDAB O=C(CCc1nc(-c2ccccn2)no1)N1CCN2CCCC[C@@H]2C1 71839880 KLEJBKDMADPXOZ-CQSZACIVSA-N 341.415 1.761 0 40 EDAB COc1cc(CNC(=O)c2ccc(C)n2C)ccc1OCC(N)=O 71815174 GSBUHRIHEISOIY-UHFFFAOYSA-N 331.372 1.136 0 40 EDAB C[C@]1(C(=O)Nc2nnc(C(F)(F)F)[nH]2)Cc2ccccc2C(=O)O1 69485459 MWNYAHFIFUUDRG-CYBMUJFWSA-N 340.261 1.934 0 40 EDAB CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CCO1 69451860 XGBPNZOPLPQDKW-HZPDHXFCSA-N 346.427 1.681 0 40 EDAB CNC(=O)NC(=O)CN1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C 69509848 ONQMMHYENBGQGT-RYUDHWBXSA-N 342.440 1.210 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN([C@@H](C)c3nc(C)no3)CC2)n1 69515356 YVZWVSDQJVFURC-LBPRGKRZSA-N 331.424 1.426 0 40 EDAB CCCN(CCO)C(=O)Nc1ccn(Cc2cn3ccccc3n2)n1 71912156 YJNKGUONUGNIEO-UHFFFAOYSA-N 342.403 1.815 0 40 EDAB O=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccc[nH]c1=O 17531228 DKCYPNDIMNKSIZ-HNNXBMFYSA-N 326.352 1.895 0 40 EDAB O=C(NC1CCN(CCc2ccncc2)CC1)N1CCC[C@H](CO)C1 69697134 PDLSOOGJFPDYBU-KRWDZBQOSA-N 346.475 1.502 0 40 EDAB O=C(CN1CCC[C@@H]1Cn1cncn1)NCCc1c(F)cccc1F 69615181 DLDHKJPRYSDLPS-CYBMUJFWSA-N 349.385 1.380 0 40 EDAB COCCCCCNC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 69750016 HXVNTJJQOPNGLH-LBPRGKRZSA-N 343.449 1.511 0 40 EDAB O=C(/C=C/c1ccsc1)NCCS(=O)(=O)N1CCSCC1 69841556 POPMGRYFXCOLBZ-OWOJBTEDSA-N 346.499 1.256 0 40 EDAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1 69929394 LWUGJGSLRJMHQB-MRXNPFEDSA-N 337.387 1.645 0 40 EDAB COCCN1CCN(CC(=O)N(CC(F)(F)F)C(C)C)CC1 69976754 OIRDMERCTLWMSV-UHFFFAOYSA-N 325.375 1.050 0 40 EDAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCN(C(=O)C2CC2)CC1 8755462 GANKDINDIYYHIG-UHFFFAOYSA-N 336.775 1.763 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 9726231 BGOSADISTUOVDZ-ZDUSSCGKSA-N 335.429 1.915 0 40 EDAB CNc1ncccc1C(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 72153810 HPMXFHBGLSNJEQ-CQSZACIVSA-N 342.374 1.793 0 40 EDAB CCOC(=O)CC(=O)Nc1ccc(NC(=O)CC(=O)OCC)cc1 9812618 QCJOKPRMOJSJHD-UHFFFAOYSA-N 336.344 1.470 0 40 EDAB CCN(C1=N[C@@]2(N=C(N)N1)C(=O)N(C)c1ccccc12)c1ccccc1 19325494 CDXWENUNORFRAJ-LJQANCHMSA-N 348.410 1.616 0 40 EDAB COc1cc(OC)cc(C(=O)Nc2c(C)nc3ncnn3c2O)c1 9878605 FUJVEWYTDBFOJD-UHFFFAOYSA-N 329.316 1.408 0 40 EDAB Cc1cc(NC(=O)[C@H](C)OC(=O)CNC(=O)c2cccs2)on1 9112695 CEMMOELLQHXPNI-VIFPVBQESA-N 337.357 1.345 0 40 EDAB CC(C)NC(=O)CN1CCN(C(=O)C(C)(C)c2ccccc2)CC1 96943862 WJFOHQJLKJCRLJ-UHFFFAOYSA-N 331.460 1.633 0 40 EDAB Cn1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c2ccccc21 72269382 RXPSPZNZQLZABW-MSOLQXFVSA-N 327.428 1.850 0 40 EDAB Cc1ccc(CN(C)C(=O)CN[C@@H]2CCc3nc(C(C)C)nn3C2)o1 72267464 XNNBFNVKYOBJEH-CQSZACIVSA-N 345.447 1.866 0 40 EDAB C[C@H](OC(=O)[C@H](C)N(C)Cc1ccccc1)C(=O)NC(=O)NC1CC1 72290052 OVKBHIDEMFPLBI-STQMWFEESA-N 347.415 1.427 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)C2 97198130 VYXNBJABILHRKN-LSDHHAIUSA-N 338.411 1.676 0 40 EDAB Cc1cc(C)n(CCCNC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 72305723 YAQDUZWAODDKKN-UHFFFAOYSA-N 331.420 1.695 0 40 EDAB CCOc1cccc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)c1 72300594 VIBYRHWVVVTOQQ-XJKSGUPXSA-N 326.462 1.845 0 40 EDAB NC(=O)N1CC[C@H](NC(=O)c2csc(Cc3cccc(F)c3)n2)C1 97236551 UPCVEZJDGCWUIF-LBPRGKRZSA-N 348.403 1.756 0 40 EDAB CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccn1C1CC1 95995038 NPINHAYGNBHBHR-UHFFFAOYSA-N 345.424 1.934 0 40 EDAB C[C@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@@H]1O 89406593 PJUSGGGIHGVXSK-HZMBPMFUSA-N 337.807 1.713 0 40 EDAB CCc1cccc(NC(=O)Nc2cnn(C[C@H](O)CN(C)OC)c2)c1 75143815 UAYCDVGTYKYDPX-MRXNPFEDSA-N 347.419 1.944 0 40 EDAB C[C@]1(C(=O)NC2CCN([C@@H]3CCOC3=O)CC2)CC1(Cl)Cl 89919222 UUOYNLNJZKAIEK-ZWNOBZJWSA-N 335.231 1.466 0 40 EDAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)C1 89967683 MKILXYKLGCQCKX-CHWSQXEVSA-N 341.452 1.776 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)no1 76043860 HFSXUJPYYIVDRU-AWEZNQCLSA-N 326.356 1.698 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@]2(OCCO)CCOC2)cc1Cl 657085392 GJXILQCLGNXBSG-CQSZACIVSA-N 349.836 1.095 0 40 EDAB Cc1cc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)ccc1O 62720402 ICWOCWIOUYATMX-UHFFFAOYSA-N 339.355 1.296 0 40 EDAB Cc1onc(N)c1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)O 519742356 FMYPPMWYCHZYJY-UHFFFAOYSA-N 333.272 1.342 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C(C)C)C1 78602801 PLRUFGVTQYMFRC-HNNXBMFYSA-N 347.459 1.976 0 40 EDAB Cc1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2cccc(F)c2)n(C)n1 72241647 KZKYYAJGZSJKER-HZPDHXFCSA-N 346.362 1.405 0 40 EDAB COCc1cc(N2CCCN(C(=O)c3c(C)ccn3C)CC2)ncn1 1057130655 AVDATLKJCFSZMF-UHFFFAOYSA-N 343.431 1.622 0 40 EDAB N[C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc2c(c1)OCO2 72227686 ZOHWWEIOOLKOPL-DLBZAZTESA-N 340.335 1.602 0 40 EDAB C[C@@H]1CCCCN1S(=O)(=O)NC[C@@H](Cc1ccccc1)C(=O)O 561433805 JVMUEJWWNOOEDP-UKRRQHHQSA-N 340.445 1.639 0 40 EDAB O=C(N[C@H]1CCCNC1=O)c1csc(CCc2ccccc2)n1 78656039 JIACGLZRVYDHQU-ZDUSSCGKSA-N 329.425 1.937 0 40 EDAB Cc1ccc(F)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1F 565514942 ZRMIUROWTXVXIC-BFQNTYOBSA-N 338.354 1.829 0 40 EDAB C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CN1C1CC1 531484037 XOUCZZYEZQDKTB-GUIRCDHDSA-N 343.493 1.267 0 40 EDAB Cn1nc(C(=O)N2CCCN(c3cccnn3)CC2)cc1C1CC1 329545944 HAJGAPZTJZBTAX-UHFFFAOYSA-N 326.404 1.440 0 40 EDAB C[C@H]1CN(C[C@H](O)C(F)(F)F)C[C@@H](C)N1C[C@@H](O)C(F)(F)F 193258439 YNALHFYPTNBIKU-QCLAVDOMSA-N 338.292 1.227 0 40 EDAB COc1cc(C(=O)NCCC(=O)NC(C)C)n(-c2ccccc2)n1 227162666 ZAQSDRGQIIJETB-UHFFFAOYSA-N 330.388 1.525 0 40 EDAB O=C(O)c1nccnc1C(=O)N1CCN(Cc2cccc(F)c2)CC1 85475689 NSUGZVGISBSRKK-UHFFFAOYSA-N 344.346 1.272 0 40 EDAB O=[S@@](CCNS(=O)(=O)c1cc(F)ccc1F)C(F)(F)F 585115158 OWAUGMGNGVSJJG-IBGZPJMESA-N 337.291 1.512 0 40 EDAB O=C(C1CCOCC1)N1CCc2onc(COc3cccnc3)c2C1 96260100 LJLTWJHDOWAHAW-UHFFFAOYSA-N 343.383 1.960 0 40 EDAB O=C(c1ccccn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCCN1CCCC1 96041629 NFDXRZRNSYSGSC-RCCFBDPRSA-N 345.443 1.566 0 40 EDAB CCS(=O)(=O)N1CC[C@@H]2O[C@@H](COCc3cccnc3)CC[C@@H]21 96064805 OSAOGMGCLQWBQB-PMPSAXMXSA-N 340.445 1.570 0 40 EDAB O=C([C@H]1CCCO1)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159756 SZCKERLLUVYITN-VQIMIIECSA-N 346.402 1.956 0 40 EDAB Cc1cccc(NC[C@H]2CCN(CCCNS(C)(=O)=O)C2)n1 97200540 BMWOHFPTCJLKLL-CQSZACIVSA-N 326.466 1.063 0 40 EDAB CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)C2CCCC2)[C@H]1O 514288808 DSCHUJGCDVXTKH-GBESFXJTSA-N 346.471 1.596 0 40 EDAB biogenic,in-vitro CC(C)n1cc([C@@]2(O)CCCN(C(=O)c3ccncc3F)C2)nn1 583619054 ZURXKNYVXGAWPA-MRXNPFEDSA-N 333.367 1.517 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1 96483583 SOQUDYCXXLBYKM-ZBFHGGJFSA-N 349.456 1.863 0 40 EDAB CN(C)CC(=O)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 96040209 UAEOBIHVOFJEEK-PKOBYXMFSA-N 347.459 1.558 0 40 EDAB Cc1ccc(N2CCOC[C@@]3(CCCN(C(=O)NC(C)C)C3)C2)nn1 96229197 LJBDYTDSNTZHJP-SFHVURJKSA-N 347.463 1.822 0 40 EDAB O=C1CCCN1C[C@H]1CN(C(=O)c2ccsc2)Cc2nccn2C1 96188443 QZZQXPNJEJXUND-ZDUSSCGKSA-N 344.440 1.839 0 40 EDAB O=C(N[C@@H]1CCc2n[nH]c(=O)cc2C1)c1ccccc1Br 238839809 HPDBGNZXQKHWBR-SNVBAGLBSA-N 348.200 1.820 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)n2cnnn2)c(OC)c1 524735627 ONDRPSAJHMUEKK-SMDDNHRTSA-N 331.376 1.615 0 40 EDAB O=C(c1ccno1)N1CC[C@H]2[C@@H](CC1)OCCN2Cc1cccnc1 96249388 ZWELSOUNLGQTRH-JKSUJKDBSA-N 342.399 1.575 0 40 EDAB COC(=O)Cn1ncc2c(N3CC[C@H](c4ccccc4)C3)ncnc21 96408658 ANKVUGJNAHGEGD-AWEZNQCLSA-N 337.383 1.993 0 40 EDAB Cc1cc(C)cc(C[C@H](C)NC(=O)NC[C@H]2CCS(=O)(=O)C2)c1 96437694 FYMVVWXGLKULKU-LSDHHAIUSA-N 338.473 1.968 0 40 EDAB O=C(c1ccc(Cl)cc1)N1CC[C@@H]2CNS(=O)(=O)[C@@H]2CC1 96263652 FCVVJPLIPRGGJU-DGCLKSJQSA-N 328.821 1.494 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 247341416 SFGFIFRHZMQNOS-CYBMUJFWSA-N 340.470 1.650 0 40 EDAB CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@H]1O 257247703 JACFHBBXFOSLIN-IAGOWNOFSA-N 343.431 1.005 0 40 EDAB CN(C(=O)CC1(O)CCCCC1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257200860 AFDNJPHDSKZOOS-JFIYKMOQSA-N 348.443 1.896 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CN(Cc3ccc(F)cc3)CCO2)n1 257339926 ZDTXKYFHSLXGNB-KRWDZBQOSA-N 344.390 1.825 0 40 EDAB O=C(c1cnccn1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 257262531 LLUCKGVVNGQPOW-IBGZPJMESA-N 338.411 1.112 0 40 EDAB CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 257304471 SLVJPYUAXDPHBW-INIZCTEOSA-N 339.443 1.961 0 40 EDAB Cc1cc(O)nc([C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)n1 257298435 RLOZVSRSCKJYFO-LLVKDONJSA-N 337.405 1.140 0 40 EDAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(Br)c2O)[C@H]1O 257344091 ZVSVMYXOLLZWMD-NQBHXWOUSA-N 344.205 1.765 0 40 EDAB CO[C@@H]1CCC[C@@H](NC(=O)COc2ccc3c(c2)CCCC3)[C@H]1O 257254659 KEDIQEDCRSQQJO-ZHALLVOQSA-N 333.428 1.989 0 40 EDAB CC(C)c1noc(CCC(=O)N2CCC[C@@H]2c2ccnc(O)n2)n1 257301786 RZWXPBAHUXCFJN-GFCCVEGCSA-N 331.376 1.985 0 40 EDAB NC(=O)c1cnn2c([C@H]3CCCN(C4CCOCC4)C3)ccnc12 257302294 SCJGYFSCSAUPIC-LBPRGKRZSA-N 329.404 1.187 0 40 EDAB CN(C(=O)COc1cccc(F)c1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257310333 UEQRPZWHANKZNY-JFIYKMOQSA-N 336.407 1.651 0 40 EDAB Cc1cc(CNC(=O)NCc2ncnn2-c2ccccc2)n(C)n1 252483861 FKGMPPHZIUSHNS-UHFFFAOYSA-N 325.376 1.309 0 40 EDAB CN(C)c1cc([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)ccn1 257337712 YUBVDOAXMNNCSB-CYBMUJFWSA-N 335.433 1.439 0 40 EDAB C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cn2cc(C(=O)O)nn2)C1 263329945 LTIDFUHYQSHPEL-HZMBPMFUSA-N 332.335 1.725 0 40 EDAB CNC(=O)c1ccc(O)c(NS(=O)(=O)C[C@@H]2CCCCO2)c1 1615613261 HGTYYGDMEUIDLK-NSHDSACASA-N 328.390 1.063 0 40 EDAB C[C@H](NC(=O)C1(CS(C)(=O)=O)COC1)c1cc(F)ccc1F 1616037849 PSVBTNCBLKOUNM-VIFPVBQESA-N 333.356 1.203 0 40 EDAB C[C@H](CCO)CN[C@@H]1CCO[C@@]12CCN(C(=O)OC(C)(C)C)C2 1616036519 XCZKFIFGLCUVGO-CKEIUWERSA-N 328.453 1.763 0 40 EDAB CCCS(=O)(=O)N1CC2(C1)OCC[C@H]2COc1ccccn1 575403689 MPRFEPVKOSNNMP-ZDUSSCGKSA-N 326.418 1.291 0 40 EDAB CC(C)C(=O)N1C[C@H]2OC[C@H](CNC(=O)C3CC(F)(F)C3)[C@H]2C1 575406393 XMIYOTQCNSXOST-YNEHKIRRSA-N 330.375 1.277 0 40 EDAB Cc1csc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)n1 575605465 PXQBFKZCCNWAAX-UHFFFAOYSA-N 341.400 1.502 0 40 EDAB CCCC(=O)N1Cc2ccnn2[C@@H](CNC(=O)c2cscn2)C1 575405848 JZTJHYSLYZXSSH-LBPRGKRZSA-N 333.417 1.453 0 40 EDAB O[C@]1(COc2ccc(F)cc2)COCCN(Cc2cnccn2)C1 585268864 BUNWNWGCDLSPRG-KRWDZBQOSA-N 333.363 1.258 0 40 EDAB O=C(c1cc(F)cc(F)c1)N1CC2(C[C@H](CO)CN2CC2CC2)C1 585093991 XDJYPXBRMOOJTR-ZDUSSCGKSA-N 336.382 1.884 0 40 EDAB COc1ccc(OC)c(CN(C)c2ncc(S(N)(=O)=O)s2)c1 69453802 PSQQTWVIDLTSDV-UHFFFAOYSA-N 343.430 1.444 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCN(C)c1ccccc1 69776869 GXOCZBMOPAZPNI-HZPDHXFCSA-N 346.475 1.167 0 40 EDAB C[C@@H]1C[C@H](NCC2CCN(C[C@H](O)c3ccccc3)CC2)C(=O)O1 75602962 IVPREJNRFDWUHK-JLSDUUJJSA-N 332.444 1.726 0 40 EDAB COc1ccc(CCNC(=O)N2CCN(Cc3ccon3)CC2)cc1 76084519 YETCQXUYGFLYGL-UHFFFAOYSA-N 344.415 1.753 0 40 EDAB CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cn(CCn2cccn2)nn1 600968169 OTVMFWRJCSLMGY-HNNXBMFYSA-N 346.435 1.481 0 40 EDAB O=C(Nc1cc(C(F)(F)F)[nH]n1)c1cc(N2CCOCC2)ccn1 1548449106 LEPVFUTUNVOXEP-UHFFFAOYSA-N 341.293 1.912 0 40 EDAB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1O 5018755 OIKFIRMQTFBREA-FPYGCLRLSA-N 326.692 1.032 0 40 EDAB CN1C[C@@H](C(=O)NCc2ccnn2C)[C@@H]2COc3ccccc3[C@@H]21 1772595841 NYGGIUOXXSVUMR-VYDXJSESSA-N 326.400 1.348 0 40 EDAB O=C1N[C@]2(CCCN(C(=O)CCn3cccn3)C2)Nc2ccccc21 12089273 OIMRXQGDXIYCFB-SFHVURJKSA-N 339.399 1.447 0 40 EDAB Cn1ccnc1[C@H](NC(=O)N1CCOCC1)c1ccc(F)c(F)c1 12114984 LMYRKOGURKGBLG-CQSZACIVSA-N 336.342 1.830 0 40 EDAB O=C(NCCc1nnc2n1CCCCC2)c1ccc2c(c1)OCO2 12758748 RMCXWUKUYWCUDQ-UHFFFAOYSA-N 328.372 1.706 0 40 EDAB Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1 12894510 BGWVANBHKBNYRW-QWHCGFSZSA-N 333.413 1.114 0 40 EDAB biogenic COC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccccc1 14153177 DZYDTSCHUCYEBB-UHFFFAOYSA-N 348.380 1.390 0 40 EDAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCCN(C(=O)CN)C2)n1 643550504 ISHCUJHSVWAHPG-LBPRGKRZSA-N 346.460 1.958 0 40 EDAB COc1ccc(CCC(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc1 575607553 URQZKQRRSSFGBO-UHFFFAOYSA-N 345.443 1.036 0 40 EDAB Cc1nc2ccccc2n1[C@H]1CCN(S(=O)(=O)N2CCCC2)C1 585149218 KHXLJBUSBJQSSW-AWEZNQCLSA-N 334.445 1.932 0 40 EDAB Cn1nccc1C(=O)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888866989 QGUFQUJUZQOBMW-OKILXGFUSA-N 338.415 1.296 0 40 EDAB Cc1nc2c(c(N3CCN(c4nccn5nccc45)CC3)n1)CCC2 1888896957 KFGPJAHUZMZMLB-UHFFFAOYSA-N 335.415 1.643 0 40 EDAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1cc(=O)n2ccccc2n1 1888911969 RVDHYLLTDHDAJO-UHFFFAOYSA-N 346.346 1.055 0 40 EDAB COCC(=O)N1CC[C@H](c2nc(C)cc(Nc3nccs3)n2)C1 2037835829 ADBPNGGBVNHRKN-NSHDSACASA-N 333.417 1.947 0 40 EDAB CN1C[C@@]2(CCN(C(=O)CCc3cccc(F)c3)C2)COCC1=O 2037985225 BXZZURUYNRXOEC-GOSISDBHSA-N 334.391 1.466 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)C3(F)CCC3)CC2)C1=O 1565544406 JZHSNOZVQJARFJ-INIZCTEOSA-N 326.412 1.756 0 40 EDAB CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1cccc(C)c1C 4107531 GDUBPCFDUKICPU-CQSZACIVSA-N 326.418 1.181 0 40 EDAB COc1cc(C(=O)O[C@H]2[C@H]3C=CO[C@H](C)[C@H]3[C@@]3(CO)O[C@@H]23)ccc1O 14984545 DVELQCYNMSLGKX-JEUXBYOQSA-N 348.351 1.235 0 40 EDAB O=C(c1cc[nH]c1)N1CCN2CCc3c(ncn3CC3CC3)[C@H]2C1 2055746483 MTBJDGSYJKVIGM-MRXNPFEDSA-N 325.416 1.676 0 40 EDAB COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)nc2ccccn2c1=O 96115665 GBGIZMQDDGCQMN-ZDUSSCGKSA-N 340.335 1.801 0 40 EDAB biogenic COC(=O)Cn1/c(=N/C(=O)C2=COCCO2)sc2ccccc21 100876347 VQBZAJCJDDETOF-NXVVXOECSA-N 334.353 1.191 0 40 EDAB COCCn1nc(C(=O)NC[C@H]2CCCc3ccccc32)ccc1=O 30896641 FEUWZKPABCWFCL-OAHLLOKOSA-N 341.411 1.740 0 40 EDAB Cc1ccc(Cl)c(OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 40456768 OVOFMWIFNBBPLK-AWEZNQCLSA-N 331.821 1.721 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCN(S(C)(=O)=O)CC2)o1 40475540 IRGQYLFHUZUANC-OCCSQVGLSA-N 340.445 1.439 0 40 EDAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccnc1-n1cccn1)CS2 40509342 VLBOPCCKWWRBHX-LRDDRELGSA-N 343.412 1.660 0 40 EDAB C[C@H]1CN(c2ccc(C(=O)NCCCn3cccn3)cn2)C[C@@H](C)O1 40512472 PVYSNOQWFLVTJV-GASCZTMLSA-N 343.431 1.712 0 40 EDAB Cc1ccc(C[C@@H]2CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C2)cc1 51462776 FDTVNOKJJJNWNQ-HOCLYGCPSA-N 338.473 1.714 0 40 EDAB CC(C)OCCCNC(=O)[C@H]1CCCN(c2ccc3nncn3n2)C1 32093008 VJKRAXKDWHPSBV-AWEZNQCLSA-N 346.435 1.272 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2ccc(F)cc2s1 32784602 VYVORPZWTWXEEU-SNVBAGLBSA-N 343.405 1.798 0 40 EDAB Cn1cnn(CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1=S 32923264 RJGLQJHPTUZDTQ-UHFFFAOYSA-N 349.435 1.435 0 40 EDAB Cc1cccc(CN2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)c1 22775740 UBQLNEDXSZTFEP-SFHVURJKSA-N 331.460 1.408 0 40 EDAB COC(=O)CCCNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 23016523 LSUDIEFQBSDVSI-LBPRGKRZSA-N 338.429 1.670 0 40 EDAB CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 93025 GXWSOHXMBGNQQB-UHFFFAOYSA-N 327.388 1.318 0 40 EDAB CCN(CC)C(=O)[C@@H](C)Nc1ccc(N2CCCS2(=O)=O)cc1 42854964 DLGMMGSUBLOHFT-CYBMUJFWSA-N 339.461 1.895 0 40 EDAB COc1ccc([C@@H]2CCCN2C(=O)NCCNC(C)=O)c(OC)c1 43141274 NYWUHTVXZQHUIY-HNNXBMFYSA-N 335.404 1.686 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3COc4ccccc43)CCO2)n1 78889698 DIUZOLYQJRWLMU-HIFRSBDPSA-N 342.399 1.833 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cn(C2CC2)c(=O)c2ccccc12 79489342 JEWZOVUXNXPKMV-LLVKDONJSA-N 346.408 1.253 0 40 EDAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC 4163292 QQCUKGKDTSQWCP-CQSZACIVSA-N 330.344 1.757 0 40 EDAB O=C1c2ccccc2C(=O)N1CCCOC(=O)C1(O)CCCCC1 43896213 UQFITDLTGKSXAE-UHFFFAOYSA-N 331.368 1.911 0 40 EDAB Cc1cccc(OCCn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 7416491 PUMQMFSENKALCR-UHFFFAOYSA-N 348.790 1.475 0 40 EDAB Cn1c(=O)n(Cc2cccnc2)c(=O)c2ccc(C(F)(F)F)nc21 26131869 JQDHZHCBIMTLAK-UHFFFAOYSA-N 336.273 1.557 0 40 EDAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCc1cccc(N2CCOC2=O)c1 56964412 VUOZNBQDDGQOHS-SWLSCSKDSA-N 345.399 1.422 0 40 EDAB Cc1ccc(-n2nnc(CC(=O)N3CCN(C(C)C)CC3)c2C)cc1 57339421 JYIKVAJTHYOTAC-UHFFFAOYSA-N 341.459 1.979 0 40 EDAB O=C(O)[C@@H]1[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)[C@H]2C=C[C@H]1C2 104850945 OPDLGRLTSKKLMS-RMEBNNNOSA-N 329.352 1.321 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@H](C)n3cncn3)CC2)cc1F 27581817 LURNECBGVMOAGV-ZDUSSCGKSA-N 347.394 1.331 0 40 EDAB CSc1ccccc1NC(=O)CN1CCN(c2ncccn2)CC1 58138206 MSPGMDHNBSYLRI-UHFFFAOYSA-N 343.456 1.959 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)CC2)N1 58280493 CAFPGTIOEIDAEM-STQMWFEESA-N 347.802 1.644 0 40 EDAB CC(=O)N[C@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)C1CCCC1 44969513 JHGSHDSZHYBJLT-HOTGVXAUSA-N 345.447 1.257 0 40 EDAB CCCCn1c(Cn2ccnc2)nc2cc(S(N)(=O)=O)ccc21 10809703 KCEPGMJOBGJQPN-UHFFFAOYSA-N 333.417 1.729 0 40 EDAB COc1ccc(OC)c([C@@H](C)NC(=O)c2nc3ncccn3n2)c1 36618699 JBPRQLVIDPIJIA-SNVBAGLBSA-N 327.344 1.633 0 40 EDAB Cc1noc(CCCC(=O)N2CCN(Cc3cscn3)CC2)n1 55449781 SERNIUINYNKGPH-UHFFFAOYSA-N 335.433 1.502 0 40 EDAB Cc1cccc(N2CCN(C(=O)NCCCn3cncn3)CC2)c1 45648225 YJJTZMCPWMTDQG-UHFFFAOYSA-N 328.420 1.508 0 40 EDAB O=c1c(NCC2CC2)c(N2CCN(c3ccc(F)cc3)CC2)c1=O 101700655 IYOPQZOQWBZMRM-UHFFFAOYSA-N 329.375 1.570 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NC1CCCCC1 2929276 ZVLKIMUSQLEIMU-UHFFFAOYSA-N 329.422 1.361 0 40 EDAB C[C@H](OC(=O)C1CC1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 3392966 AWYWCUADUOKJPO-ZETCQYMHSA-N 344.289 1.500 0 40 EDAB COc1ccc(NC(=O)COc2ccccc2C(N)=O)cc1OC 3484071 HWLUXCMCQZSCKH-UHFFFAOYSA-N 330.340 1.820 0 40 EDAB COc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(OC)c1 13060721 AXASXVUBPPYNNT-UHFFFAOYSA-N 336.369 1.604 0 40 EDAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCc1nccs1 95385780 MTEHNCGVHOGZQH-UHFFFAOYSA-N 325.415 1.337 0 40 EDAB O=C(NCCN1CCCCC1)C(=O)Nc1ccc2nsnc2c1 13688741 CNXRZGUYUUPUFW-UHFFFAOYSA-N 333.417 1.232 0 40 EDAB COC(=O)c1cnc(N(C)S(=O)(=O)c2cnn(C(C)C)c2)s1 84633196 TVKWFTCUVPEAMD-UHFFFAOYSA-N 344.418 1.532 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1F 73028223 CGSXJOJHPPQECR-KRWDZBQOSA-N 333.363 1.471 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCCN1Cc1ccccc1 65499366 VVTVNNZCMSNXIU-GUDVDZBRSA-N 343.471 1.630 0 40 EDAB CCN(CC)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 4468756 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EDAB Cc1nnc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)o1 8075332 LMGZWNGKURXXGM-CYBMUJFWSA-N 325.328 1.522 0 40 EDAB CCc1ccc(S(=O)(=O)NC[C@@H](C)CN2CCN(C)CC2)s1 71817350 PVMQKYRLDZRMIS-CYBMUJFWSA-N 345.534 1.472 0 40 EDAB COC(=O)c1cc(NS(=O)(=O)c2cn(C)cn2)c(F)cc1F 71853736 RDEOMULHSKAKCW-UHFFFAOYSA-N 331.300 1.286 0 40 EDAB CCN1CCC(NC(=O)CN2CCC[C@@H]2Cn2cc(C)cn2)CC1 70006303 YBHASZSJIGXHTD-QGZVFWFLSA-N 333.480 1.256 0 40 EDAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCO[C@H](Cn2cncn2)C1 70038650 CAHOIJXVUUFVHN-ZFWWWQNUSA-N 340.387 1.790 0 40 EDAB Cc1c(NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)cccc1C(N)=O 71882646 NKNNOTRSTKHLRT-AWEZNQCLSA-N 347.440 1.734 0 40 EDAB COc1ccnc(N2CCN(C(=O)c3cccc4c3OCO4)CC2)n1 69371292 JZKAWXAXOMJLFC-UHFFFAOYSA-N 342.355 1.176 0 40 EDAB CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 306136999 QIRYGLIEDUFPOH-UHFFFAOYSA-N 340.431 1.261 0 40 EDAB CC(=O)c1ccccc1NC(=O)Cn1c(-c2cnccn2)noc1=O 69453314 TYLDJVGHUHIKGF-UHFFFAOYSA-N 339.311 1.135 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)Nc2c(C)nn(C)c2C)n1 69444141 CDOWWGHTPNBNHE-HNNXBMFYSA-N 345.451 1.348 0 40 EDAB Cc1cccc(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)n1 69441721 SWDDSCINKXTICD-UHFFFAOYSA-N 335.367 1.944 0 40 EDAB CC1(C)[C@@H](OC(=O)CCn2nnc3ccccc3c2=O)[C@@H]2CCO[C@H]21 71916002 HIZXQGUUECFSGC-WQVCFCJDSA-N 343.383 1.538 0 40 EDAB COCCOc1cc(NC(=O)NCC(=O)OC(C)C)ccc1OC 71920193 FQAIKEVOALHEGG-UHFFFAOYSA-N 340.376 1.794 0 40 EDAB NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)NCC1CCCCC1 69581053 FGLGZDAKRBPFCV-SFHVURJKSA-N 329.444 1.768 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1 69657692 TYVLDPPLANUADI-CQSZACIVSA-N 340.445 1.578 0 40 EDAB CNC(=O)c1ccc(-c2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1 69622275 JHOZRGZOQOPJAY-UHFFFAOYSA-N 339.351 1.967 0 40 EDAB CCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1c(C)nn(C)c1C)CC2 69876664 VKGXBKQSLKUTKK-AAEUAGOBSA-N 345.451 1.122 0 40 EDAB Cc1cnc(C(=O)N2CCCN(Cc3nccn3C(C)C)CC2)cn1 69878899 JGCQUGPQEZGNPX-UHFFFAOYSA-N 342.447 1.911 0 40 EDAB Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@H]1CCCC[C@@H]1C 69896788 WHLFJUPLQLIDAY-FZMZJTMJSA-N 341.415 1.773 0 40 EDAB Cn1nnc(-c2cccc(NC(=O)Cc3ccccc3C(=O)O)c2)n1 71286399 AWQBKWDEVBSHFK-UHFFFAOYSA-N 337.339 1.757 0 40 EDAB COCCCNC(=O)C1CCN([C@H]2Cc3ccccc3[C@H]2O)CC1 97034098 OCZIZINCFGTLNA-ZWKOTPCHSA-N 332.444 1.509 0 40 EDAB Cc1cc(N2CCC[C@H](NC(=O)Cc3cccc(F)c3)C2=O)n(C)n1 97009926 CVXTVKHGCQXFPK-HNNXBMFYSA-N 344.390 1.722 0 40 EDAB COc1ccccc1CCC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269037 OIYHGJJQXZMKQO-IRXDYDNUSA-N 332.444 1.685 0 40 EDAB Cn1cc(Br)cc(NC(=O)N[C@H](CCO)C2CC2)c1=O 95964385 DQZAPYXUALUSNE-SNVBAGLBSA-N 344.209 1.430 0 40 EDAB CN(C)c1ncc(I)c([C@@H]2CCCN2C)n1 72343518 KNUALRZZQUKPDG-VIFPVBQESA-N 332.189 1.914 0 40 EDAB Cc1n[nH]c(C)c1CNC(=O)N1CCC[C@@H](Cc2nccn2C)C1 89522804 MTLSKHMYXNSGHK-AWEZNQCLSA-N 330.436 1.924 0 40 EDAB CN(C)[C@@H](CNC(=O)N1CCC[C@@H](c2nncn2C)C1)c1ccco1 89761872 BGULFYILIZNRGF-KGLIPLIRSA-N 346.435 1.600 0 40 EDAB Cc1cc(CNC(=O)N2CCN(Cc3cnc(C)s3)CC2)on1 111845603 HNKZJSRWBIWCSP-UHFFFAOYSA-N 335.433 1.775 0 40 EDAB Cc1cc(CN2CCn3cc(C(=O)NC4CC4)nc3[C@@H]2C)n(C)n1 306135805 PBLNHVBMKGHECK-LBPRGKRZSA-N 328.420 1.394 0 40 EDAB O=C(NCC1CC1)NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 519760776 AHOAERGMYRJXEH-YOEHRIQHSA-N 328.416 1.843 0 40 EDAB C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H]1c1ccc(O)nn1 530076907 UISLXWXBUHCSJQ-SMDDNHRTSA-N 332.404 1.541 0 40 EDAB Cn1c(CN2CCOCC2)nnc1SCc1ccc(C(=O)O)cc1 409202148 PGXBFVOWXQSELA-UHFFFAOYSA-N 348.428 1.638 0 40 EDAB CC[C@H](NC(=O)NC1CCOCC1)c1cccc(S(N)(=O)=O)c1 78446787 HXVJVBYFJXEBON-AWEZNQCLSA-N 341.433 1.263 0 40 EDAB O=C(O)[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2F)CCO1 560481475 PMEFBLBDCQKPGZ-GFCCVEGCSA-N 339.344 1.453 0 40 EDAB Cn1cc(S(=O)(=O)N2CCC=Cc3ccccc32)cc1C(N)=O 188401203 NHZHCFKBOHUMGM-UHFFFAOYSA-N 331.397 1.736 0 40 EDAB CC(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1cccc(C(N)=O)c1 72354604 FJKNGGYTSWHRFN-CQSZACIVSA-N 325.372 1.508 0 40 EDAB Cc1c[nH]nc1[C@H]1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1 72384929 HVOYJSLNHFQSOZ-JTQLQIEISA-N 327.310 1.950 0 40 EDAB COCCCNC(=O)[C@@H](C)[S@](=O)Cc1cc(F)ccc1OC 79324419 GEPSIYPUJBMWNJ-XFNZEKPQSA-N 331.409 1.624 0 40 EDAB COc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3)CC2)cc1 75154695 RTZBUABJCLESCY-UHFFFAOYSA-N 335.429 1.993 0 40 EDAB Cn1ccc(CNC(=O)Cn2cc(COc3ccc(F)cc3)nn2)n1 227161160 PUBIMKINPYFEJV-UHFFFAOYSA-N 344.350 1.046 0 40 EDAB Cc1cc(NC(=O)C(=O)NC[C@@H](O)c2csc3ccccc23)no1 225698085 ASZUEIGQNXTIEX-GFCCVEGCSA-N 345.380 1.986 0 40 EDAB CN(Cc1ccc(OCC(=O)O)cc1)S(=O)(=O)c1ccccc1 572085367 VXKOQPQHCKMLEJ-UHFFFAOYSA-N 335.381 1.971 0 40 EDAB C[C@@H](Cn1ccnc1)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 81552326 HNZJEGURAKRENJ-NSHDSACASA-N 345.794 1.395 0 40 EDAB O=C(NC1CC1)N1CCC[C@]2(COCCN(c3nncs3)C2)C1 96229266 JGLSXEGLMHFNFC-HNNXBMFYSA-N 337.449 1.329 0 40 EDAB COCCN1CC2(CCN(C(=O)c3cccc(N(C)C)c3)CC2)C1=O 96202841 QWDBGUCNMRXHIV-UHFFFAOYSA-N 345.443 1.464 0 40 EDAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)c2c(C)n[nH]c2C)nc1 97372651 DBXOVHUEKSYTEU-NSHDSACASA-N 329.404 1.931 0 40 EDAB CCN1CCO[C@H](C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)C1 578892050 LRCBFODODWNLAB-PMPSAXMXSA-N 332.400 1.034 0 40 EDAB Cn1cc(C[C@H]2[C@H](O)CCN2C(=O)NCc2cccc(F)c2)cn1 96200178 ZPAFZCRMLWNBML-JKSUJKDBSA-N 332.379 1.447 0 40 EDAB Cn1cc(CN2C[C@H](C(=O)NCC3CC3)C3(CCOCC3)C2)cn1 96052127 OJBKGOJPLQDJDF-MRXNPFEDSA-N 332.448 1.175 0 40 EDAB CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CO2 96221671 RIOGYJBHBVTKGO-CYBMUJFWSA-N 340.449 1.252 0 40 EDAB CCS(=O)(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 96472789 NKCXRQBZXGHECS-UHFFFAOYSA-N 330.454 1.225 0 40 EDAB COc1cccc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1F 583619560 QPNGJNLFUZSHEP-DYVFJYSZSA-N 343.358 1.931 0 40 EDAB CC(C)(C)OC(=O)NC1(c2noc(CNC(=O)C3CC3)n2)CCC1 96405340 DJTINQQFKSSYPR-UHFFFAOYSA-N 336.392 2.000 0 40 EDAB CCN1C[C@@]2(CC1=O)CN(Cc1cccs1)CCN(C(C)=O)C2 97952773 YHZBIGPWJAAGAE-QGZVFWFLSA-N 335.473 1.651 0 40 EDAB Cc1ccc(N2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@@H]3C2)nn1 96066237 HGIWOKHQIHTYNS-CWRNSKLLSA-N 339.399 1.803 0 40 EDAB Cc1cc(NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)nc(C2CC2)n1 581385274 WIWCDWFZHBPUDR-XJKSGUPXSA-N 340.431 2.027 0 40 EDAB COc1cc(N2C[C@H]3CCN(Cc4ccncc4)C(=O)[C@@H]3C2)ncn1 96249099 XTMKVEGTKWPAMV-HUUCEWRRSA-N 339.399 1.365 0 40 EDAB Cc1occc1C(=O)N1CCn2cc(CNC(=O)CC3CC3)nc2C1 96059447 SUDQFMWJIONCLO-UHFFFAOYSA-N 342.399 1.857 0 40 EDAB CCn1cc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@H]2C)ccc1=O 96413512 FVVQRBKRNJQBSI-PXAZEXFGSA-N 339.395 1.856 0 40 EDAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N1CCOC2(CCCC2)C1 96477226 STICMTNOGWLEOR-GFCCVEGCSA-N 335.370 1.978 0 40 EDAB O=C(NCc1ccccn1)[C@]12COC[C@H]1CN(Cc1ccoc1)C2 96110094 RSMIEDGBCKYIJH-CRAIPNDOSA-N 327.384 1.439 0 40 EDAB CCC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2=O)cc1 330689412 VWGAKJHJUPLABS-ZDUSSCGKSA-N 338.429 1.410 0 40 EDAB Cc1ccc(CN2Cc3cncn3[C@@H](C(=O)N3CCCO3)C2)s1 248119114 UKGHNRQRAFTDTE-OAHLLOKOSA-N 332.429 1.974 0 40 EDAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc(C(F)F)[nH]n2)C1 585135401 HONFJRTVRULOOB-ZJUUUORDSA-N 344.362 1.351 0 40 EDAB 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0 40 EDAB Cn1ncc2c(N3CCC(C(=O)Nc4cnccn4)CC3)ncnc21 52470465 AHRXRYXKZLCNRQ-UHFFFAOYSA-N 338.375 1.008 0 40 EDAB Cc1noc(C)c1CN1CCN(C(=O)CCNc2ncccn2)CC1 52688445 RNRUSTPFCODTBV-UHFFFAOYSA-N 344.419 1.228 0 40 EDAB C[C@H]1C(=O)N(CC(=O)NCC(F)(F)F)C(=O)N1c1ccccc1 21931643 LDBPJJKJVXJTHI-VIFPVBQESA-N 329.278 1.522 0 40 EDAB CC(C)n1nccc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 22288516 OPCCPQUPZRVXKI-SJKOYZFVSA-N 347.419 1.903 0 40 EDAB CCCNC(=O)CNC(=O)c1nn(-c2ccccc2)c2c1CCC2 22692452 FLXJSVFLECSZIJ-UHFFFAOYSA-N 326.400 1.617 0 40 EDAB CCOC(=O)C1=C(CSC(=S)N2CCCC2)NC(=O)N[C@H]1C 22872418 MNAVHQJEZWGAMY-VIFPVBQESA-N 343.474 1.619 0 40 EDAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)N1CCCCC1 23022703 CBPDSPBIIWOWIV-CYBMUJFWSA-N 326.418 1.489 0 40 EDAB Cc1cc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)no1 415273 LWYOCSCSXPISBN-UHFFFAOYSA-N 334.336 1.829 0 40 EDAB CC(C)Oc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cn1 42825718 DWDJBSKWGZOESM-HNNXBMFYSA-N 347.415 1.332 0 40 EDAB O=C(COc1ccc(F)cc1F)N1CC[C@](O)(C(F)(F)F)C1 77990838 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1.918 0 40 EDAB O=S(=O)(c1cc(F)ccc1F)N1CCN(c2nccs2)CC1 12755994 SFGIINVFIBYVQS-UHFFFAOYSA-N 345.396 1.932 0 40 EDAB O=Cc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 3357727 FYSKOCWHHHSHPF-UHFFFAOYSA-N 339.303 1.870 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CC3)CC2)c(C)c1 12863984 VLYLANNRAFYAPQ-UHFFFAOYSA-N 337.445 1.482 0 40 EDAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2cnn(C)c2)cc1 12852001 DBIBNHMQEOJOLQ-UHFFFAOYSA-N 329.356 1.138 0 40 EDAB CCc1ncc(C(=O)NCCN2C(=O)c3ccccc3C2=O)s1 65403814 RKMINKVJYBZCNW-UHFFFAOYSA-N 329.381 1.732 0 40 EDAB Nc1nonc1C(=O)NCCNCc1c(Cl)cccc1Cl 4488606 VYKAXOUMOMXKKX-UHFFFAOYSA-N 330.175 1.478 0 40 EDAB COc1ncccc1CNC(=O)NCCNC(=O)CC1CCCC1 65537941 RDOGEHMDBOZQNW-UHFFFAOYSA-N 334.420 1.586 0 40 EDAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCC2)Nc1cccnc1 65552281 MOQWRDMRKCEUIC-UHFFFAOYSA-N 345.424 1.877 0 40 EDAB CCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)s1 6451355 AREDXMZPYJKRNO-BBBLOLIVSA-N 334.401 1.379 0 40 EDAB OCCn1ncc2c(NC[C@@H](O)c3ccc(F)cc3F)ncnc21 97200216 SVGBTDPMKCVCOL-CYBMUJFWSA-N 335.314 1.242 0 40 EDAB CS(=O)(=O)N(CCCC(=O)NCc1ccccn1)c1ccccc1 4973517 FEVXTDLFSRUJLG-UHFFFAOYSA-N 347.440 1.944 0 40 EDAB CC/C(NCCO)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 5977404 XGWHMYJIOIDMFC-VAWYXSNFSA-N 337.763 1.169 0 40 EDAB O=C(NC[C@@H]1CCCO1)Nc1cccc(S(=O)(=O)C(F)F)c1 67317014 WWRZCOLNFVDQIH-JTQLQIEISA-N 334.344 1.983 0 40 EDAB CCN(CC)[C@@H]1CCN(C(=O)NCc2cccnc2-n2ccnc2)C1 96437736 JVVJOVKURLUBSZ-MRXNPFEDSA-N 342.447 1.893 0 40 EDAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc[nH]1 9583753 PAXMLMSPUXLEHI-QGZVFWFLSA-N 325.324 1.427 0 40 EDAB NC(=O)[C@H](NC(=O)Cc1cnn(-c2ccccc2)n1)c1ccccc1 71852392 ZQWOQFYKEPNUPP-QGZVFWFLSA-N 335.367 1.153 0 40 EDAB CCc1ccc(-c2noc(CN3CCN(C[C@@H](C)O)CC3)n2)cc1 71847299 UZLTYLUIJBSYSU-CQSZACIVSA-N 330.432 1.797 0 40 EDAB CN([C@H]1CCN(CC(F)(F)F)C1=O)[C@H](C(N)=O)c1cccc(F)c1 71893088 GYKZPRCDCBVLPE-RYUDHWBXSA-N 347.312 1.447 0 40 EDAB O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N1CCSCC1 71821002 FVQYTWAQCLOSFE-UHFFFAOYSA-N 339.482 1.915 0 40 EDAB C[C@H]1CN(CC(=O)N(C)Cc2cccc(F)c2)CCN1C[C@@H](C)O 71864168 NRCIFQNQLYLAOP-LSDHHAIUSA-N 337.439 1.171 0 40 EDAB O=C(NCCCNC(=O)[C@H]1Cc2ccccc2O1)c1cccs1 69348853 QHQIKLLVESNICO-CQSZACIVSA-N 330.409 1.988 0 40 EDAB Nc1cc(N)nc(SCCOc2ccc3c(c2)CCC(=O)N3)n1 69377096 VTWFMPATXRWSIQ-UHFFFAOYSA-N 331.401 1.697 0 40 EDAB COc1ccc(C(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1 69497744 JCVMFYVBKHPMCF-UHFFFAOYSA-N 327.384 1.632 0 40 EDAB C[C@H](C(N)=O)N1CCN(CCOc2ccc(F)cc2Cl)CC1 91684918 DUZHJHUJIOCMOV-LLVKDONJSA-N 329.803 1.349 0 40 EDAB Cc1ccc(NCCNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)nn1 69565838 HYXLTNMWUNUUIQ-AWEZNQCLSA-N 347.463 1.598 0 40 EDAB C[C@H]1C[S@@](=O)CCN1C(=O)CCc1nc(-c2ccsc2)no1 71916600 WGOQVPQBMIIWCT-MLMJSJRWSA-N 339.442 1.710 0 40 EDAB CC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccn3)C2=O)CC1 69664380 KTWUXDHQSHHBQX-QGZVFWFLSA-N 330.388 1.107 0 40 EDAB CCOC(=O)C1(NC(=O)[C@@H]2CC(=O)N(CC)C2)Cc2ccccc2C1 69666520 ALUOMRXWFXSCLJ-OAHLLOKOSA-N 344.411 1.072 0 40 EDAB Cc1cc(C)n(CC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1 17732680 VAKDCHWTDYLGID-GFCCVEGCSA-N 345.355 1.799 0 40 EDAB c1ncn(C[C@H]2CN(Cc3nc(-c4ccsc4)no3)CCO2)n1 69810406 AOCPSWWCQCOIKM-GFCCVEGCSA-N 332.389 1.291 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC(N(C)c2cccnn2)CC1)n1cncn1 69923899 XBVKZSYRYJBORQ-INIZCTEOSA-N 343.435 1.393 0 40 EDAB Cc1ccc(N(C)C2CCN(C(=O)[C@H](C)n3cncn3)CC2)nn1 69923336 GYTYDQQFZFQMQJ-ZDUSSCGKSA-N 329.408 1.065 0 40 EDAB NC(=O)CNC(=O)c1ccc(OC(=O)c2ccc3c(c2)CCC3)cc1 69981178 TZNGDBUILKJPCF-UHFFFAOYSA-N 338.363 1.610 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)NCCc1nc2ccccc2[nH]1 18232166 BYDSCEDAHQJQGI-UHFFFAOYSA-N 347.378 1.632 0 40 EDAB CC(C)CCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 8765419 ZPCXDEFFEYHJOZ-UHFFFAOYSA-N 329.400 1.884 0 40 EDAB biogenic COc1ccccc1NC(=O)Cn1nc2c(cc1=O)CSCC2 71288442 LMINBWVLIIPCQX-UHFFFAOYSA-N 331.397 1.680 0 40 EDAB O=C(NCCOc1ccc(F)c(F)c1)C1(N2CCOCC2)CCC1 95456871 OQXNETOCNCLXDX-UHFFFAOYSA-N 340.370 1.715 0 40 EDAB CC(=O)N1CC[C@@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 95439802 NGKMJGJZZRXDRN-LLVKDONJSA-N 334.800 1.519 0 40 EDAB O=C(O)CCCCCCNC(=O)C1CCN(c2cnccn2)CC1 95971401 OUSWUYNPLIODIM-UHFFFAOYSA-N 334.420 1.844 0 40 EDAB COc1ccccc1[C@H](C)NC(=O)c1cn(C2CCNCC2)nn1 95947747 QREAWBAQYAYANY-LBPRGKRZSA-N 329.404 1.702 0 40 EDAB Cc1cc(C)c2c(OCC(=O)NC[C@@H](O)C(F)(F)F)nn(C)c2n1 75092727 BMKZCNCKWCHHEE-SECBINFHSA-N 346.309 1.003 0 40 EDAB CN(Cc1cc(Br)cn1C)C(=O)NCc1nccn1C 89761438 BIBJATAQIZRWDT-UHFFFAOYSA-N 340.225 1.863 0 40 EDAB CCN(CC)C[C@H]1CCN(S(=O)(=O)c2cccc3nonc23)C1 89967927 OYNDDNRYIGUKMS-GFCCVEGCSA-N 338.433 1.575 0 40 EDAB C[C@@H]1CN=C(N2CCN(Cc3nc(=O)c4sccc4[nH]3)CC2)S1 89941286 SWPZMWPMOYEYKK-SNVBAGLBSA-N 349.485 1.594 0 40 EDAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3nnc(C4CCC4)o3)C2)C1=O 76058799 AIAUATYAUXHFCN-PXAZEXFGSA-N 347.419 1.489 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)cn1 306129190 HWZCGDJLTZHXML-BZUAXINKSA-N 329.404 1.269 0 40 EDAB CC(C)c1c(C(=O)N2C[C@H](O)C3(CC3)C2)cnn1-c1ccccn1 547981215 KQSLQLQGQWGYCJ-AWEZNQCLSA-N 326.400 1.988 0 40 EDAB COCCCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 33663756 LYDFSYOAELIXMH-LLVKDONJSA-N 348.852 1.647 0 40 EDAB Cc1ccc(NC(=O)CCCn2cncn2)cc1-n1nnnc1C 79045400 DSYUYHRDBDVMBM-UHFFFAOYSA-N 326.364 1.290 0 40 EDAB O=C(C1CCOCC1)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 77266337 FHRYZEVTWYZCJF-MRXNPFEDSA-N 335.448 1.694 0 40 EDAB biogenic,in-vitro COc1ccc(C)cc1[C@@H](C)NC(=O)C(=O)N1CCC(CCN)CC1 565113655 KWOCIIWYUTVTNK-CQSZACIVSA-N 347.459 1.768 0 40 EDAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCCO 217463606 VROWVQUANWNNMJ-NSHDSACASA-N 344.433 1.646 0 40 EDAB C[C@@H]1CN(C)C[C@H](c2nc(-c3ccc(Cn4cncn4)cc3)no2)O1 527543306 MHLSTGOJZWRJOA-IUODEOHRSA-N 340.387 1.768 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@@]1(O)CCc2ccccc21 75155697 OCZGJIOKORNUEA-IBGZPJMESA-N 338.363 1.545 0 40 EDAB CN(c1ccccc1)C1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 328875421 FXNSJZLKNDJGCH-HNNXBMFYSA-N 339.443 1.968 0 40 EDAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)c(C)cc21 223352280 JXAAMAHEGYPYKA-UHFFFAOYSA-N 347.396 1.796 0 40 EDAB CN(C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1 42645804 WDHINLIPFKZBPT-UHFFFAOYSA-N 328.210 1.456 0 40 EDAB O[C@@H]1CCCC[C@H]1N1CCN(c2nccc(C(F)(F)F)n2)CC1 89893132 MYNUBCWMECIGTJ-VXGBXAGGSA-N 330.354 1.921 0 40 EDAB NCCNC[Si](c1ccccc1)(c1ccccc1)c1ccccc1 195759198 NUTSWRHDEKOFAE-UHFFFAOYSA-N 332.523 1.244 0 40 EDAB CN(C)CCOCc1ncn2c1CN(c1ncc(F)cn1)CCC2 96259950 YHKOZIABJLLJRO-UHFFFAOYSA-N 334.399 1.301 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)C1 96156884 QYVNHBVCZOPBRV-UHFFFAOYSA-N 330.384 1.542 0 40 EDAB Cn1cc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)cn1 96061450 SMLBVGKUNFJURX-INIZCTEOSA-N 325.416 1.453 0 40 EDAB Cc1cc(CN2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@@H]3C2)no1 96042834 VHXXGJZLXKRWSE-IAOVAPTHSA-N 342.399 1.996 0 40 EDAB CN1CCN(C[C@H]2OC[C@@H]3CCN(Cc4cccs4)C[C@H]23)CC1 96056256 IUFHYGGIFITGMS-RYQLBKOJSA-N 335.517 1.832 0 40 EDAB O=C(c1ccncn1)N1CC[C@]2(C[C@@H](OCC3CCOCC3)CO2)C1 96107740 VVOOQLFXCNJSRG-QAPCUYQASA-N 347.415 1.293 0 40 EDAB Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 96408466 OVIDUOAECBJIED-CQSZACIVSA-N 336.457 1.902 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1 96025790 ZMOYVCYKIUJEGF-LBPRGKRZSA-N 349.334 1.149 0 40 EDAB CC[C@@H](NC(=O)N1CCN(c2ccnc(C)n2)CC1)C1CCOCC1 332053278 MMZVUIQNBCIJBE-MRXNPFEDSA-N 347.463 1.822 0 40 EDAB Cn1cnnc1[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCO1 583622962 MSSNWKJEDFXBKZ-OAHLLOKOSA-N 325.372 1.439 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 96081448 SQGOESKTOCTMSJ-UONOGXRCSA-N 329.404 1.609 0 40 EDAB Cc1ccoc1C(=O)N1CCC[C@]2(CCCN2S(C)(=O)=O)C1 96214936 JSTNPEFTSZDVSC-HNNXBMFYSA-N 326.418 1.618 0 40 EDAB Cc1nn(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)c(=O)o1 585093613 NCJVYYJTKBXTNY-UHFFFAOYSA-N 333.363 1.912 0 40 EDAB C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2coc(CS(C)(=O)=O)n2)o1 585132229 QVRWINLAOFOSPV-KOLCDFICSA-N 338.385 1.866 0 40 EDAB Cn1ncc2c1CN(S(=O)(=O)c1ccc(Br)cc1)C2 585114909 FFKKDVIIQBSUEO-UHFFFAOYSA-N 342.218 1.887 0 40 EDAB OC[C@H](O)CNCc1cc(Br)sc1Br 585118367 LXWNOHKVZMOSQQ-ZCFIWIBFSA-N 345.056 1.716 0 40 EDAB CCCCOc1ncccc1CNC(=O)[C@H]1CN2CCC[C@H]2CO1 585120814 MXHLEXNBMKVIJJ-JKSUJKDBSA-N 333.432 1.740 0 40 EDAB CN(C)S(=O)(=O)N1CCC(Cc2cccc(-c3cc[nH]n3)n2)CC1 257232438 GKUZUVLVFGBEKP-UHFFFAOYSA-N 349.460 1.533 0 40 EDAB CCn1nccc1-c1cc([C@H]2CCCN2S(C)(=O)=O)nc(C)n1 257255884 KJHDWCDFRJHMQH-OAHLLOKOSA-N 335.433 1.765 0 40 EDAB CCn1nccc1-c1cnc(CC2CCN(S(C)(=O)=O)CC2)cn1 257207808 BJJBDEMVSXUCLB-UHFFFAOYSA-N 349.460 1.574 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H]1c1cccc(-c2ccnn2C)n1 257231925 GITBOBQAFIRYCF-HNNXBMFYSA-N 335.433 1.425 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](Cc2ccn[nH]2)C1 257339271 ZAZPYTPGISDOPJ-ZDUSSCGKSA-N 340.383 1.799 0 40 EDAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCOC3=O)C2)c1 264793155 TWWQUVFHDXBRNI-ZBFHGGJFSA-N 344.411 1.587 0 40 EDAB CCOC(=O)Nc1scnc1C(=O)NCCC(=O)N1CCCC1 1615582346 RQKPAZBDLOGUFE-UHFFFAOYSA-N 340.405 1.454 0 40 EDAB NC[C@@H]1CN(C(=O)c2cnn3ccc(N)cc23)C[C@H]1C(F)(F)F 1615547182 OQOZINWBOHKUNC-LDYMZIIASA-N 327.310 1.126 0 40 EDAB O=C(Cc1ccc(F)cc1F)NCCn1nc(C2CC2)ccc1=O 575608562 OMOJCYADZUCMSZ-UHFFFAOYSA-N 333.338 1.758 0 40 EDAB O=C(C1CC(O)C1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 585100896 ARHRKXUWDBLXSB-LADRWXRNSA-N 343.427 1.194 0 40 EDAB O=C(CN1CCC[C@](O)(COc2ccc(F)cc2)C1)N1CCCC1 585268874 CAGGWRGNLYEOGZ-GOSISDBHSA-N 336.407 1.654 0 40 EDAB O=C(Cc1ccncc1)N1CC[C@](O)(COc2ccc(F)cc2)C1 585279231 XSTQIUFYDLRFOY-GOSISDBHSA-N 330.359 1.806 0 40 EDAB COCCCNC(=O)C1CCN(C(=O)/C=C/c2ccc(C)o2)CC1 69777562 CKALXSWBKXCOQB-VOTSOKGWSA-N 334.416 1.993 0 40 EDAB CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C 36264182 HFXAWINHQHIRIY-GFCCVEGCSA-N 328.434 1.448 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1OC 44937565 NLHGJIXHPZIYPS-ZIAGYGMSSA-N 340.445 1.609 0 40 EDAB Cn1cnnc1CNC(=O)C1(c2ccc(Br)cc2)CC1 47472467 YPTFUEZMSWSUJL-UHFFFAOYSA-N 335.205 1.926 0 40 EDAB COCC(=O)Nc1cc(Br)ccc1N1CCOCC1 47740611 UMFVWZVBRSIOQN-UHFFFAOYSA-N 329.194 1.871 0 40 EDAB O=C1CCc2cc(S(=O)(=O)NC(=O)c3cscn3)ccc2N1 75582771 MGZJDVLCGMZEGB-UHFFFAOYSA-N 337.382 1.147 0 40 EDAB CC(C)(C)NC(=O)CNC(=O)c1cn(-c2ccccc2Cl)nn1 58640777 CXTARTDLIIKFAV-UHFFFAOYSA-N 335.795 1.565 0 40 EDAB CCNC(=O)[C@@H](C)NS(=O)(=O)c1csnc1-c1ccccc1 583651142 GAJCHUPXTBZIPM-SNVBAGLBSA-N 339.442 1.613 0 40 EDAB CCNC(=O)N1CC[C@H](NC(=O)NCCc2cc(F)cc(F)c2)C1 95416128 MEKUTSJZXAGTHH-AWEZNQCLSA-N 340.374 1.610 0 40 EDAB O=C(CSCc1cccnc1)N[C@H]1Cc2cccnc2NC1=O 1548800310 CNJLONHLDGPJOU-ZDUSSCGKSA-N 328.397 1.389 0 40 EDAB COC(=O)[C@@H]1C[C@@H](Sc2ncnn2C)CN1C(=O)OC(C)(C)C 1616036226 HWXKXRCSZPFWRJ-ZJUUUORDSA-N 342.421 1.458 0 40 EDAB C[C@@H]1CN(c2cccc(Cl)c2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1 5084220 BNFWYDJSDLQQFC-SECBINFHSA-N 345.790 1.865 0 40 EDAB COc1ccc2cc(C)c3nn(CC(=O)NC(C)C)c(=O)n3c2c1 12181889 QXNJYQSSIIZQQD-UHFFFAOYSA-N 328.372 1.491 0 40 EDAB Cc1cc(C(=O)N2CCc3nc4sc(C)cc4c(=O)n3CC2)on1 13225903 PYZJBISCHKTOKO-UHFFFAOYSA-N 344.396 1.761 0 40 EDAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N=C(N2CCCCC2)N1 14607669 ZISSHQFJJWBJGT-CQSZACIVSA-N 344.415 1.754 0 40 EDAB C[C@H](C(=O)O)N1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 19080804 KEBNDKCJMGAHFD-PIGZYNQJSA-N 332.356 1.033 0 40 EDAB Cc1cc2nc([C@H](NC(=O)c3ccc(=O)[nH]c3)C(C)C)cc(O)n2n1 19129511 NQIKEIZXYQEQGN-MRXNPFEDSA-N 341.371 1.559 0 40 EDAB NCCn1nc([C@H]2CCN(C(=O)C3CCCC3)C2)c2cccnc21 19346676 NWXYZEASZHBOLZ-AWEZNQCLSA-N 327.432 1.896 0 40 EDAB CC1(C)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)C(=O)O)C=C1COC(=O)[C@]12O 514288317 XOYLBZQBJFFPCE-LMCLETFFSA-N 338.356 1.043 0 40 EDAB biogenic,in-vitro Cc1ccn(-c2ccc(C(=O)N3CCCN(C(N)=O)CC3)cc2)n1 591182629 NRAOFFXFGSOXCV-UHFFFAOYSA-N 327.388 1.407 0 40 EDAB CCOC(=O)C(=O)Nc1ccc(C)cc1S(=O)(=O)N(CC)CC 4950437 NPVOFXHFCWJNEI-UHFFFAOYSA-N 342.417 1.527 0 40 EDAB Cc1nc(CN2CCO[C@@H](C(=O)N3CCSCC3)C2)cs1 1888834229 GELVYKIJRUHPNI-CYBMUJFWSA-N 327.475 1.228 0 40 EDAB CN(C)c1ccc(N2CCN(c3ncnc4c3CCC4)CC2)nn1 1889077223 NUSZZLSRNYSAFN-UHFFFAOYSA-N 325.420 1.148 0 40 EDAB C[C@@H]1CCCCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 16484627 GSGVIEQOACCGLI-GFCCVEGCSA-N 333.388 1.980 0 40 EDAB CC(=O)N[C@H](C(=O)Nc1ccc(-n2nc(C)cc2C)nc1)C(C)C 24571915 SCNCLBXKXIQXGJ-INIZCTEOSA-N 329.404 1.983 0 40 EDAB Nc1ncccc1C(=O)OCC(=O)NCCSc1ccccc1 24755485 VJAAMHMGOBSHRK-UHFFFAOYSA-N 331.397 1.729 0 40 EDAB O=C(N1CC[C@@H]2CN(C3CCOCC3)CCO[C@@H]2C1)C1(F)CC1 1565547888 YBAHFNAICPCSIG-UKRRQHHQSA-N 326.412 1.217 0 40 EDAB CCc1ccc(C(=O)N2CCc3ncc(CN(C)C)n3CC2)cn1 1565543051 MTUAQBJDUFYJNS-UHFFFAOYSA-N 327.432 1.601 0 40 EDAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCN([C@H]2CCOC2)CC1 1565523713 UNQQMSXKEJJFGX-WMHVBEDNSA-N 344.411 1.752 0 40 EDAB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc2ccccc2c1 63885 HFIOHTHBWFUSET-UHFFFAOYSA-N 331.353 1.326 0 40 EDAB COc1ccc(C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 4504434 SIGSJWXCDWIZKP-AWEZNQCLSA-N 325.430 1.981 0 40 EDAB Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)O)[nH]c2=O)cc1 5081831 ALIGVYVSDYPJQL-UHFFFAOYSA-N 334.357 1.090 0 40 EDAB CNC(=O)C1(Nc2ccnn2C)CCN(Cc2ccncc2)CC1 2055746513 QURDKFCCXNXABA-UHFFFAOYSA-N 328.420 1.008 0 40 EDAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)C(=O)NC1CCCCC1 22769322 IIKOIWBWZPENKX-HNNXBMFYSA-N 349.431 1.218 0 40 EDAB COCCc1nsc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 444828073 MMEONVVVAWLSPX-LLVKDONJSA-N 326.466 1.858 0 40 EDAB CCN(Cc1ccco1)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 30445815 HFWNPVDLSXZJDD-UHFFFAOYSA-N 338.385 1.598 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 30671508 FXEGCNQCTXHKHS-JOYOIKCWSA-N 344.289 1.489 0 40 EDAB Cc1cccc(C(=O)NCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c1 31256288 INQHTSBKHWMYER-UHFFFAOYSA-N 325.324 1.798 0 40 EDAB Cc1nc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)cs1 31259606 YLJRFMRFGVFDEV-UHFFFAOYSA-N 334.445 1.943 0 40 EDAB CCN(CC)[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1)C(C)C 31379463 IZKMNOLTPXGZGU-MRXNPFEDSA-N 330.436 1.759 0 40 EDAB COC1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC1 40477624 IBOUSYWDALCBMG-UHFFFAOYSA-N 335.360 1.174 0 40 EDAB Cc1ccc(-n2ncc(C(=O)NC[C@H]3CCS(=O)(=O)C3)c2C)cc1 40497155 SRJMMTNIYIKXAB-CQSZACIVSA-N 347.440 1.654 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H](C)CO1 40501695 PLDPQJCXBUXLHL-NEPJUHHUSA-N 327.402 1.646 0 40 EDAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 40540104 LVLOKLWYLDWRFU-GJZGRUSLSA-N 333.367 1.200 0 40 EDAB CCc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cnn1-c1ccc(O)nn1 32034142 DYKLPUOZBKHAQO-GHMZBOCLSA-N 331.376 1.180 0 40 EDAB O=C(NC[C@@H]1COc2ccccc2O1)c1n[nH]c(=O)c2ccccc12 211509 PILPRNXXXWQIFK-LLVKDONJSA-N 337.335 1.493 0 40 EDAB COc1cc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)ccc1OC(C)C 101929164 ZYGLLHNVSKTSPO-CYBMUJFWSA-N 346.383 1.502 0 40 EDAB O=C(Nc1ncccn1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 21210221 SOIRMNPXBXGVJX-NSHDSACASA-N 340.339 1.239 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H](C(N)=O)C2)c(C)n1Cc1ccccn1 41132502 IPIOXQADRRERLN-CQSZACIVSA-N 326.400 1.496 0 40 EDAB COC(=O)CNC(=O)[C@H](C)Sc1nc(-c2ccccc2)cn1N 21824700 LVWRZAZDDKWELT-JTQLQIEISA-N 334.401 1.034 0 40 EDAB O=C(Cc1cn2ccsc2n1)NCC(=O)OCc1ccccc1 22738576 SNVKMXSSTNKXGS-UHFFFAOYSA-N 329.381 1.798 0 40 EDAB CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 810375 JTFHEIYGBRSKOA-UHFFFAOYSA-N 332.447 1.623 0 40 EDAB CN(CC(=O)OCc1nc(-c2cccs2)no1)c1ncccn1 23174050 MBRIXBCPUSBMBL-UHFFFAOYSA-N 331.357 1.768 0 40 EDAB CC(=O)c1cccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 24095454 CXKAHGJWKQVMRO-OIISXLGYSA-N 343.379 1.580 0 40 EDAB COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@H]1CCS(=O)(=O)C1 42870011 JEDCHILIUDLAAG-KOLCDFICSA-N 330.381 1.382 0 40 EDAB O=C(NC[C@@H](O)COc1cccc(F)c1)NC1CCC(O)CC1 42961879 CSTNZQDZBZPBFR-JXQTWKCFSA-N 326.368 1.168 0 40 EDAB Cc1cnc2c(S(=O)(=O)NC[C@H](C)N3CCOCC3)cccc2c1 24682332 KGZFGXMDXLZQAG-AWEZNQCLSA-N 349.456 1.542 0 40 EDAB COc1ncccc1C(=O)N1CC(S(=O)(=O)Nc2ccccc2)C1 96005387 VYGUWIUVAYCXOS-UHFFFAOYSA-N 347.396 1.357 0 40 EDAB CN(CC(N)=O)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 47628801 KQALBLORFGSPOK-KRWDZBQOSA-N 325.412 1.504 0 40 EDAB CCN(CC(=O)NC(=O)NC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106160304 UYJHGQRMIRMHOU-GDBMZVCRSA-N 332.448 1.599 0 40 EDAB Cc1nsc(N2CCCN(C(=O)CNCC(F)(F)F)CC2)n1 78934342 MEFGDOVSQWIDKD-UHFFFAOYSA-N 337.371 1.037 0 40 EDAB C[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 25320856 YMYKVPOVTIISCV-ZWNOBZJWSA-N 330.837 1.941 0 40 EDAB C[C@H]1CN(CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@@H](C)O1 25411811 LSAOGPRRMRNIQF-GASCZTMLSA-N 328.416 1.598 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@H]1C1CCCC1 56034144 AXIKZKBZRZKCDG-INIZCTEOSA-N 326.400 1.973 0 40 EDAB O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(C(=O)O)cc1 4422758 JSVHGZIOIJPCML-UHFFFAOYSA-N 339.303 1.977 0 40 EDAB Cc1csc(=O)n1CC(=O)OCC(=O)NC1CCCCCCC1 7985832 LUBPZXUSGMMXGC-UHFFFAOYSA-N 340.445 1.991 0 40 EDAB O=C(c1cscn1)N1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]21 107798141 QMTBNSXGJMAPQY-RISCZKNCSA-N 349.437 1.288 0 40 EDAB Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)C(C)(C)C)cc1 8390672 OXDOHBZTFLSILI-UHFFFAOYSA-N 341.429 1.822 0 40 EDAB CCc1cccc(N2C[C@@H](C(=O)NCCn3ccnc3)CC2=O)c1 44376174 ZTHJEHSIGCEMMZ-HNNXBMFYSA-N 326.400 1.615 0 40 EDAB COC(=O)c1cccc(C(=O)N(C)Cc2nnc3n2CCCCC3)n1 604075950 BBEXZGBNYYXSGZ-UHFFFAOYSA-N 343.387 1.458 0 40 EDAB O=C(CNC(=O)[C@@H](c1ccccc1)N1CCCC1)NCc1ccco1 57782551 XBPCMPRWLRTSIK-GOSISDBHSA-N 341.411 1.849 0 40 EDAB CCCCN1C(=O)[C@H]2[C@H](C)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 8995920 NUANHMFWMWBFGM-LDBIXWDDSA-N 341.411 1.535 0 40 EDAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Cn2ccc(=O)[nH]c2=O)C2CC2)o1 27277776 VMHWGOMXEPKBDV-FZMZJTMJSA-N 343.383 1.444 0 40 EDAB Cn1cc(NC(=O)CCCNC(=O)NC2CCCCC2)ccc1=O 58162904 ANCGOWNHILGNSG-UHFFFAOYSA-N 334.420 1.736 0 40 EDAB C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccccn2)CC1 44849126 WEQFQCASTCUCSE-CQSZACIVSA-N 330.432 1.425 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)S(C)(=O)=O 58298398 NAJUDLKTTZDOJM-ZBFHGGJFSA-N 338.473 1.590 0 40 EDAB Cc1csc(CNC(=O)NC[C@H](O)COc2cccc(F)c2)n1 44955226 TVBSETCMZOZLFR-LBPRGKRZSA-N 339.392 1.830 0 40 EDAB CC(=O)N1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 44966506 RIYUZMVOIBFPAA-MRXNPFEDSA-N 348.447 1.680 0 40 EDAB COc1ncccc1CNC(=O)N1CCC(CN2CCOCC2)CC1 44968840 FJJZHMGENCQUHF-UHFFFAOYSA-N 348.447 1.344 0 40 EDAB C[C@H](CNC(=O)CCn1ncc(=O)c2ccccc21)Cn1cccn1 58335009 BOYDSFCHRYWWEZ-CQSZACIVSA-N 339.399 1.436 0 40 EDAB CC1CCN([C@@H](C)CNC(=O)c2ccnc(-n3cncn3)c2)CC1 58393798 CXDMLVMLWOLTPJ-AWEZNQCLSA-N 328.420 1.513 0 40 EDAB NC(=O)NCCC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 58995054 VGTDLXVIQWYTNK-UHFFFAOYSA-N 327.388 1.036 0 40 EDAB Cc1nnc(NC(=O)CCNc2nc(Cl)nc3[nH]cnc23)s1 72401531 GBPVYKQUBDJLNF-UHFFFAOYSA-N 338.784 1.607 0 40 EDAB COC(=O)CCSCCNS(=O)(=O)c1ccccc1Cl 95396954 BNSVMLIXIHVLRF-UHFFFAOYSA-N 337.850 1.915 0 40 EDAB Oc1ccc(N2CCN(Cc3nc4c(F)cccc4[nH]3)CC2)nn1 95395091 ICFMSFRARFFONF-UHFFFAOYSA-N 328.351 1.520 0 40 EDAB Cc1ccccc1CN1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 29594639 QMTCUQSRIQTPBK-INIZCTEOSA-N 336.457 1.074 0 40 EDAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NC3CC3)c(Cl)c2)C1=O 12024018 FSZOUFPTVDIMIR-MRVPVSSYSA-N 342.804 1.545 0 40 EDAB O=C(CCn1cncn1)NCc1ccc(OC[C@H]2CCCO2)cc1 46852072 WSLHEZRZAYTUEM-MRXNPFEDSA-N 330.388 1.542 0 40 EDAB COc1ncc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cn1 100148629 JBQSDPIYBPGMJM-IRXDYDNUSA-N 340.427 2.000 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H](C)NC(=O)c2ccco2)C1 48267753 VSYRRVYVZOFAMW-QLFBSQMISA-N 335.448 1.882 0 40 EDAB Cc1cccc(CN2CCC(NC(=O)Cn3ccccc3=O)CC2)c1 48290657 SJBVCGDFIJTASL-UHFFFAOYSA-N 339.439 1.938 0 40 EDAB COCCN1CC[C@@]2(CCCN(C(=O)c3cnoc3C)CC2)C1=O 108529189 IJCMGBKTVDLYIZ-KRWDZBQOSA-N 335.404 1.474 0 40 EDAB C[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C(N)=O 12716515 QDBKVWKGLXTHOM-SNVBAGLBSA-N 334.759 1.581 0 40 EDAB COC(=O)/C=C/c1ccc(Oc2ccc3nnnn3n2)c(OC)c1 12746496 HVNSWEROHVUESU-XBXARRHUSA-N 327.300 1.506 0 40 EDAB C[C@H](Cc1ccco1)NC(=O)CNC1=NS(=O)(=O)c2ccccc21 48324308 RWKQZNPETOPKMV-LLVKDONJSA-N 347.396 1.066 0 40 EDAB O=C(NCC1CCS(=O)(=O)CC1)N[C@H]1C[C@@H]1c1ccccc1F 95440265 ITBJIWSYMHFTHB-HIFRSBDPSA-N 340.420 1.806 0 40 EDAB C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)CCNS(C)(=O)=O 95442911 RAMPZYYQLHSBBB-ZHACJKMWSA-N 330.837 1.751 0 40 EDAB O=C(c1ccc(=O)[nH]n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12909912 LJOREOIOVDNXLR-AWEZNQCLSA-N 341.367 1.909 0 40 EDAB O=C(COc1cccc(Br)c1)O[C@@H]1CCS(=O)(=O)C1 4178329 OCVIRVVWTWBZAN-LLVKDONJSA-N 349.202 1.558 0 40 EDAB CN(CC1CC1)C(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 65499638 GDAANTKXVXSZFY-HUUCEWRRSA-N 336.432 1.837 0 40 EDAB Nc1nc(N)nc(CSc2nnc(-c3c[nH]c4ccccc34)o2)n1 14095284 QJRBJXYSJLMIMV-UHFFFAOYSA-N 340.372 1.860 0 40 EDAB COc1ccc2c(CC(=O)N3C[C@H](C)O[C@@H](C)C3)cc(=O)oc2c1 65541228 URENDQBPNQUDDG-RYUDHWBXSA-N 331.368 1.980 0 40 EDAB C[C@@H]1CCc2c(sc3ncn(Cc4nnnn4C4CC4)c(=O)c23)C1 96402293 JRWQNQVYFVEWPY-SECBINFHSA-N 342.428 1.953 0 40 EDAB O=C(CN1CCN(c2nccs2)CC1)N1CCc2sccc2C1 14317858 VMHFTTGZEFUYCB-UHFFFAOYSA-N 348.497 1.912 0 40 EDAB Cc1occc1C(=O)NC1CCN([C@@H](C)C(=O)N2CCCC2)CC1 66891354 DPBQCPZKKHPXIO-ZDUSSCGKSA-N 333.432 1.793 0 40 EDAB CCS(=O)(=O)NCCCNC(=O)N(C)Cc1sccc1C 71803272 CWUWQNIGDKYTIM-UHFFFAOYSA-N 333.479 1.527 0 40 EDAB Cc1c(C(=O)NCCn2ccnc2)nnn1-c1cccc2cnccc12 71888758 RELVTFCGRHDFAQ-UHFFFAOYSA-N 347.382 1.750 0 40 EDAB Cc1ccc(SCCNC(=O)N2CCS(=O)(=O)CC2)cc1 71803862 DAGKODDAQZHRQR-UHFFFAOYSA-N 328.459 1.527 0 40 EDAB Cc1nc(CN2CCCN([C@@H](C)C(=O)NCc3ccco3)CC2)no1 71877595 YXRQRTXLEVXYRR-ZDUSSCGKSA-N 347.419 1.184 0 40 EDAB CC(C)Cc1ccc([C@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 15518668 IGOZKCBVAQAZFO-ZDUSSCGKSA-N 329.400 1.613 0 40 EDAB COc1cc(NC(=O)COc2nnc3ccccn23)cc(OC)c1 15555566 IGSUTVFRHUTKRW-UHFFFAOYSA-N 328.328 1.764 0 40 EDAB CCCNC(=O)[C@H](C)OC(=O)c1cc(S(C)(=O)=O)ccc1C 7480752 GMZBWAWNIVXEBX-NSHDSACASA-N 327.402 1.470 0 40 EDAB O=C(Nc1nncs1)[C@H]1CCCN(C(=O)NC[C@@H]2CCCO2)C1 71921992 QKCQRUZFTPNZEL-QWRGUYRKSA-N 339.421 1.077 0 40 EDAB C[C@H](CNS(=O)(=O)c1cccc(Cl)c1)N1CCN(C)CC1 71921624 PRZXGZLWKZUMQB-GFCCVEGCSA-N 331.869 1.254 0 40 EDAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2nccnc2N)c1C 9691119 FDYGYSKPMTVNAG-LLVKDONJSA-N 346.387 1.724 0 40 EDAB O=C(NCc1cn2ccsc2n1)N1CC[C@](O)(C(F)(F)F)C1 81473312 DFGSTGSMNIJBIN-LLVKDONJSA-N 334.323 1.605 0 40 EDAB Cc1cn2nc(N3CCN([C@H](C)c4nc(C)no4)CC3)sc2n1 69385574 GWQZPXNFWIJBKD-SNVBAGLBSA-N 333.421 1.674 0 40 EDAB CCc1nc(CCNC(=O)N[C@H](C)C(=O)N2CCCCC2)cs1 69351318 FMUIODQGOTXEJJ-GFCCVEGCSA-N 338.477 1.948 0 40 EDAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCc1ccccc1Cl 69415417 OBJXMBPTKCCZGP-UHFFFAOYSA-N 330.775 1.843 0 40 EDAB Cc1nn2cccnc2c1C(=O)NC[C@@H](O)COc1cccc(F)c1 69565427 RDDNPXQJNLEUDC-CYBMUJFWSA-N 344.346 1.347 0 40 EDAB C[C@H]1CN(c2nc3ccccc3o2)CCN1c1ccc2nncn2n1 69564946 CEXQUGSTWXHFIX-LBPRGKRZSA-N 335.371 1.981 0 40 EDAB Cc1ccc(Cl)cc1N1CCN(c2nc3[nH]ncc3c(=O)[nH]2)CC1 97097210 GNYYIDCWZJVWDH-UHFFFAOYSA-N 344.806 1.935 0 40 EDAB CCc1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)c2ccccc2n1 97050436 XKLOLUSHOPHFFV-UHFFFAOYSA-N 338.367 1.296 0 40 EDAB CCc1nc2n(n1)C[C@H](NCCCOc1ccc3c(c1)OCO3)CC2 69667830 MNCWHFBTBDDXSD-CYBMUJFWSA-N 344.415 1.943 0 40 EDAB c1coc(-c2nnc(CSc3nnnn3C[C@@H]3CCCO3)o2)c1 8547711 NBFFVGIYRXCKJH-VIFPVBQESA-N 334.361 1.787 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cccc(-n3cccn3)c2)C1 97051621 KDJDGVORIDUZLB-MRXNPFEDSA-N 334.445 1.386 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)[C@H](C)OC[C@@H]1CCCCO1)C2 69741184 KSMRJPBCTYWHJO-KBPBESRZSA-N 336.436 1.718 0 40 EDAB CC(C)N(CC(N)=O)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 69704250 NOSNZVFENCJXKU-UHFFFAOYSA-N 347.396 1.875 0 40 EDAB NC(=O)[C@H]1CCCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 97083529 LXZLCURYXFBPLC-JTQLQIEISA-N 337.786 1.757 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)ccc1=O 72231989 AJFPKPLAEUORKM-CYBMUJFWSA-N 345.403 1.755 0 40 EDAB Cc1ccc(N2CCC[C@@H](N(C)c3ncnc4c3cnn4C)C2)nn1 69949835 LDMMNZXDAHGGTM-CYBMUJFWSA-N 338.419 1.567 0 40 EDAB CCc1ncc2c(n1)CN(CC(=O)Nc1c(C)nn(C)c1C)CC2 69950631 AVPNAZSYELKBLA-UHFFFAOYSA-N 328.420 1.386 0 40 EDAB COc1ncccc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69952273 LZCLUFJDXIZARA-KRWDZBQOSA-N 341.411 1.582 0 40 EDAB Cc1nnc2n1CCN(C(=O)C1CCN(Cc3ccccc3)CC1)C2 72279864 ZRVLJRHIUGLBLT-UHFFFAOYSA-N 339.443 1.841 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)Nc1cnn(-c2ccccc2)c1 72295092 IWCGTOQBKYSWLQ-CQSZACIVSA-N 329.404 1.715 0 40 EDAB Cn1c(CNC(=O)C(C)(C)c2ccc(Cl)cc2)cc(=O)n(C)c1=O 72298257 CVWGOHQYFHPAQU-UHFFFAOYSA-N 349.818 1.331 0 40 EDAB Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c2c(C3CC3)noc2n1 71185516 CIHWDDPHPQPAJV-UHFFFAOYSA-N 338.371 1.965 0 40 EDAB CC[C@@H](NC(=O)N1CCCN(CC(F)F)CC1)c1noc(C)n1 95980818 QCMGBURAIVMBTA-LLVKDONJSA-N 331.367 1.812 0 40 EDAB CC(=O)NCC(=O)N1CCc2c(ncn2CCc2ccccc2)C1 95986996 GMTNAIMNQQSQJB-UHFFFAOYSA-N 326.400 1.147 0 40 EDAB CN1C[C@@H](C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1=O 95954311 YANPRXLFGQMYDJ-AWEZNQCLSA-N 333.407 1.385 0 40 EDAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1cnnc1[S@@](C)=O 75137313 ZRNVYBJVRXKMEU-KLVQOETNSA-N 342.371 1.513 0 40 EDAB Cc1noc(CN2CCN(c3cncc(Br)c3)CC2)n1 89721151 BCSHHRVBIDVGEG-UHFFFAOYSA-N 338.209 1.858 0 40 EDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1CC(=O)NC1CCOCC1 75605284 DQUNSZUFCFUPJD-CYBMUJFWSA-N 340.855 1.814 0 40 EDAB CN(C)c1cccc([C@@H]2CCCN2C[C@H](O)CN2CCCC2=O)c1 75838369 AWZQNDQEHASRHR-ROUUACIJSA-N 331.460 1.873 0 40 EDAB Cc1n[nH]c([C@H]2CN(CCn3cc(Br)cn3)CCO2)n1 76048687 VKNPYMAFRRGQSO-LLVKDONJSA-N 341.213 1.146 0 40 EDAB CCNC(=O)NC1(Cc2cc(-c3ccc(OC)cc3)on2)COC1 67898471 JTHMEOFYIGDFKL-UHFFFAOYSA-N 331.372 1.981 0 40 EDAB biogenic,in-vitro C[C@@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccncc1 69920394 NMXZFWWRAOCMOE-CVEARBPZSA-N 332.448 1.896 0 40 EDAB CCCCNS(=O)(=O)c1ccc(NCCOC)c(C(=O)O)c1 217550055 XPRGBENKHDFHKV-UHFFFAOYSA-N 330.406 1.522 0 40 EDAB CCOc1cc(C)nc(N2CCC(C(=O)NCCCOC)CC2)n1 35315744 XTLPVTVPEZCZFD-UHFFFAOYSA-N 336.436 1.553 0 40 EDAB NC(=O)CN1CCC(Cc2cc(Nc3ccccn3)ncn2)CC1 72383579 PMSCQZVGFVONOU-UHFFFAOYSA-N 326.404 1.355 0 40 EDAB C[C@H]1CCCCN1CCCNC(=O)C1(S(C)(=O)=O)CCCC1 79351888 NFNHRUHXKRMROA-AWEZNQCLSA-N 330.494 1.725 0 40 EDAB C[C@H](N)C(=O)N1CCC[C@H](CN(C(=O)OC(C)(C)C)C2CC2)C1 79409918 WXKCFDPILGZOSE-STQMWFEESA-N 325.453 1.972 0 40 EDAB C[C@@]1(c2ccccc2)CCCN(CCc2cn(CC(=O)O)nn2)C1 563277480 MTBDOLNWJKTTRJ-GOSISDBHSA-N 328.416 1.959 0 40 EDAB C[C@H](CNC(=O)c1ccc(OC(F)F)cc1)CN1CCN(C)CC1 79065106 KADOXACETMLRJK-CYBMUJFWSA-N 341.402 1.901 0 40 EDAB C[C@@H]1CN(c2ncc3c(n2)CN(C[C@H]2CCCO2)C3=O)C[C@@H](C)O1 226136482 XKOWQOAPRIFBIG-JHJVBQTASA-N 332.404 1.225 0 40 EDAB O=C1NC(=S)NC(=O)C1[C@@H](NC1CCCCC1)c1ccccc1 223812585 UXIADGDMGDTMFX-AWEZNQCLSA-N 331.441 1.797 0 40 EDAB CC(C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223993409 JLLRKEGDXHCSCT-UHFFFAOYSA-N 326.403 1.477 0 40 EDAB O=C([C@H]1Cc2ccccc2CO1)N1CCC[C@H](Oc2cnccn2)C1 225474914 GZBBISIRVJWRMT-DLBZAZTESA-N 339.395 1.988 0 40 EDAB COc1cccc(CNC(=O)c2nnn3cc(C)nc(O)c23)c1OC 85555721 LLNRJXSPNBQTAZ-UHFFFAOYSA-N 343.343 1.086 0 40 EDAB CC(C)[C@@H](C)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 225201551 LKNOPOZLAWPWKM-SNVBAGLBSA-N 334.388 1.892 0 40 EDAB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)C1CC1 96520212 ZUDXVYGCFJRHSY-BQBZGAKWSA-N 338.594 1.520 0 40 EDAB CN1CCC(CO[C@H]2CN(C(=O)c3cccn3C)[C@@H]3COC[C@@H]32)CC1 96185055 QYEYJEMCHHZVRC-JQHSSLGASA-N 347.459 1.223 0 40 EDAB CCOC(=O)[C@@H]1CN(C(=O)c2cccn2C)Cc2ncn(CC)c21 96059381 VMOFKBPNVHCSDT-GFCCVEGCSA-N 330.388 1.544 0 40 EDAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)[C@@H](C)C2 97236503 DJFZIANNGRFNJA-JQHQGBHXSA-N 330.428 1.620 0 40 EDAB O=C(c1ccco1)N1CCO[C@H]2[C@@H]1CC[C@@H]2COc1ncccn1 96250011 MAPATMAYTRBABP-VNHYZAJKSA-N 329.356 1.768 0 40 EDAB Cc1cc(Br)ccc1CNS(=O)(=O)[C@@H]1CCOC1 96411387 ZMQYNCBLGDFDSO-GFCCVEGCSA-N 334.235 1.966 0 40 EDAB CCn1nnc2c1[C@@H](COCC(=O)N(C)C)CN(Cc1ccoc1)C2 96045546 AMYFRWFBEWNJHH-CQSZACIVSA-N 347.419 1.095 0 40 EDAB CCOc1ccc(CN2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cn1 91951892 UYJPYMKMNPNYKR-CQSZACIVSA-N 347.415 1.378 0 40 EDAB Cc1nsc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1 96429156 FBMHKAWSJRDSAI-UHFFFAOYSA-N 332.838 1.890 0 40 EDAB Cc1cc(I)cnc1NC(=O)[C@@H]1CCOC1 96441307 QSWOJHPAOZJDGK-MRVPVSSYSA-N 332.141 1.970 0 40 EDAB Cc1ccc(N2CCC3(CCN(C(=O)c4cnccn4)CC3)C2)nn1 96062902 ODXXDRXFVZQNFY-UHFFFAOYSA-N 338.415 1.708 0 40 EDAB CCn1c(C)nnc1CS(=O)(=O)c1ncc(-c2ccccc2)n1C 90989046 XZMNKWZBWWBVFB-UHFFFAOYSA-N 345.428 1.981 0 40 EDAB CCCS(=O)(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 96227061 JWWDDZFPGROXST-GDBMZVCRSA-N 337.445 1.150 0 40 EDAB Cc1c(Cc2ccccc2)c(O)nc2nc(N3CCOCC3)nn12 95117616 DYRCMCCHPVVOCY-UHFFFAOYSA-N 325.372 1.566 0 40 EDAB Cn1nc(CNc2ncccn2)c2c1CN(Cc1ccccn1)CC2 96255924 FWNXIPWIYSIJDW-UHFFFAOYSA-N 335.415 1.776 0 40 EDAB Cc1nnc(N2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)s1 96217011 XQBPUYPDNQHYGI-ABAIWWIYSA-N 333.417 1.802 0 40 EDAB O=C(NC1Cc2ccccc2C1)N1CCCN(C(=O)C2CC2)CC1 97103116 ZEBIDCFBCPQUBF-UHFFFAOYSA-N 327.428 1.808 0 40 EDAB O=S(=O)(C1CC1)N1C[C@@H](OCc2ccccn2)[C@@H]2OCCC[C@@H]21 96058162 YXQVNVSBLWKQFS-ARFHVFGLSA-N 338.429 1.322 0 40 EDAB CS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)N2CC2CC2)C1 96185717 LNRIYATVGPNEFK-PMPSAXMXSA-N 338.477 1.018 0 40 EDAB O=C(CO[C@@H]1CCOC2(C1)CN(Cc1ccncc1)C2)N1CCCC1 247722560 AIUWAZXEEONZBC-QGZVFWFLSA-N 345.443 1.454 0 40 EDAB O=C(c1ncccn1)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 247841238 FOVLKDSYAFDBQS-CQSZACIVSA-N 340.383 1.572 0 40 EDAB COc1ncccc1CN1CCn2cc(CC(=O)N(C)C)nc2[C@@H]1C 247945727 BABZJXJHJSOZFD-ZDUSSCGKSA-N 343.431 1.494 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)CCN1C(C)C 257281172 ONYKERFNAUTZKO-KRWDZBQOSA-N 349.450 1.816 0 40 EDAB Cc1cc(NCCCn2cnnc2O)n2nc(C(F)(F)F)nc2n1 585092436 WTUWQOUNRXIXRQ-UHFFFAOYSA-N 342.285 1.251 0 40 EDAB C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CN(C)[C@@H]1COC[C@H]1O 585084506 JJGPKMLKSCHKDI-BYNSBNAKSA-N 328.453 1.571 0 40 EDAB CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1nnc2ccccc2n1 252503357 VBYXGNUNVHOPKV-ZDUSSCGKSA-N 345.428 1.407 0 40 EDAB C[C@@H](CC(=O)N1CCO[C@H](Cn2ccnn2)C1)Cc1cccc(F)c1 585128346 YZKRPOAHINCOKK-PBHICJAKSA-N 346.406 1.914 0 40 EDAB CCc1noc(C)c1C(=O)NC[C@@]1(O)CCCN(c2cnccn2)C1 257341024 ZIMRHARSYSDLED-KRWDZBQOSA-N 345.403 1.097 0 40 EDAB O=C(C1CCOCC1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 257316408 VFMCTFFAKALQQX-OAHLLOKOSA-N 332.391 1.108 0 40 EDAB CS(=O)(=O)N1CC[C@H](CN[C@H]2CCCOc3cc(F)ccc32)C1 252585062 FTGVOAARWLZABV-DOMZBBRYSA-N 342.436 1.911 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)cc1 257265189 LXRDZTYYVSVXGW-BRWVUGGUSA-N 338.473 1.651 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@H](Cc2ccncn2)C1 257263479 LQBPHUCANZAJES-OAHLLOKOSA-N 343.431 1.087 0 40 EDAB CCOc1cccc(CNC(=O)[C@@H]2COCCN2CC(F)(F)F)c1 252497174 QAUPGCPYXGKCAO-AWEZNQCLSA-N 346.349 1.965 0 40 EDAB Cc1ncccc1O[C@H]1CCN(C(=O)C2CCOCC2)CC[C@@H]1O 257229697 FZELRUNKEXZOIU-RDJZCZTQSA-N 334.416 1.547 0 40 EDAB COc1ccc(C)cc1CC(=O)N1CC[C@@](O)(CN2CCCC2)C1 257308018 TVCMCBVOGSCQSZ-LJQANCHMSA-N 332.444 1.605 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1cnco1 257210359 BUHCIPIETDUWME-ZDUSSCGKSA-N 329.360 1.386 0 40 EDAB CC[C@H]1CN(CCCN2CCN(C(C)C)CC2)C[C@]2(CCOC2)O1 252551073 TXSXLCFRNMHYCZ-OALUTQOASA-N 339.524 1.672 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCO[C@@H](c3nccc(C)n3)C2)ccn1 257244179 IKFOAVPAMQJZHR-CQSZACIVSA-N 341.371 1.352 0 40 EDAB CCn1ccnc1CN1CC[C@]1(CCCc1cnccn1)C(=O)NC 257310771 UGMSJIKRRQNSKF-GOSISDBHSA-N 342.447 1.406 0 40 EDAB COCC(=O)N1CCCC[C@H]1c1cc(-c2ccnn2C)nc(C)n1 257320569 VXJVKGBDIFXVEE-INIZCTEOSA-N 329.404 1.886 0 40 EDAB O=C(O)COc1ccc(S(=O)(=O)N2CC3(C2)CC3(F)F)cc1 1602090493 FIMDBOPCQXMHNO-UHFFFAOYSA-N 333.312 1.180 0 40 EDAB COCCOc1ccc(CNS(=O)(=O)N2CCC(C)CC2)cc1 42169868 SVSOUEHCYPZFNI-UHFFFAOYSA-N 342.461 1.778 0 40 EDAB Cc1c(C)n(C2CCCCC2)c2ncn(Cc3nnn(C)n3)c(=O)c12 606443481 GCJHIJYDOLVARJ-UHFFFAOYSA-N 341.419 1.892 0 40 EDAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1ccccc1 36594849 VEKVJYSAQBPVKQ-MRXNPFEDSA-N 337.379 1.486 0 40 EDAB biogenic CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1 604204063 JCADKWXSMCSFDE-KFWWJZLASA-N 347.463 1.946 0 40 EDAB C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)c(C(=O)O)c2)[C@@H]1C(=O)O 1615056182 VOQZIYKLURWWAU-KBUNVGBDSA-N 349.311 1.147 0 40 EDAB O=S(=O)(c1cnc(NCCCO)c(Cl)c1)N1CCC[C@H]2C[C@@H]21 1615046081 VSOHDLJFHRDOGO-GWCFXTLKSA-N 345.852 1.702 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@H](C)c3ncccn3)CC2)nn1 1615556842 FQABJBQCNAKYCB-CQSZACIVSA-N 326.404 1.417 0 40 EDAB O=C(CCCN1CCOC1=O)NCc1ncn(-c2ccccc2)n1 1615539236 MIOVEROPTCNDSX-UHFFFAOYSA-N 329.360 1.116 0 40 EDAB CCn1cc(Br)c(C(=O)N2CCN(C3CC3)C(=O)C2)n1 1615612246 BAOXLRPARSCQHX-UHFFFAOYSA-N 341.209 1.112 0 40 EDAB COCCC1(C(=O)N[C@H]2CCN(c3nc(C)cc(O)n3)C2)CCCC1 1616037762 FWVSXJSHTRXEPJ-AWEZNQCLSA-N 348.447 1.782 0 40 EDAB CC(=O)Nc1ccc(C(=O)N2CC[C@@H](Oc3ncc(F)cn3)C2)cc1 390827130 DYHCPYSRTWDUPY-OAHLLOKOSA-N 344.346 1.868 0 40 EDAB O=C(c1ccc(-c2ccccc2)cc1)N1CC(N2C(=O)CNC2=O)C1 390825774 ANGFLXZQPICBEA-UHFFFAOYSA-N 335.363 1.730 0 40 EDAB CCCCC(=O)N1Cc2ccnn2[C@H](CC(=O)N2CC(F)(F)C2)C1 575405187 GNQWUEGBWAJCFP-CYBMUJFWSA-N 340.374 1.824 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccn1C 575404926 WAJOXOKKPUNGRN-ILXRZTDVSA-N 345.443 1.419 0 40 EDAB COc1nc(CNC(=O)CCc2ccccc2)nc(N2CCCC2)n1 575604014 OFYKQDAZYHVPRI-UHFFFAOYSA-N 341.415 1.729 0 40 EDAB O=C(C[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21)NCc1ccco1 575406745 RRXQGJDAHQWCTO-OAHLLOKOSA-N 342.399 1.866 0 40 EDAB COc1nc(CNC(=O)CCc2cccc(Cl)c2)nc(OC)n1 575603903 MOPHIKSPZAXXEG-UHFFFAOYSA-N 336.779 1.791 0 40 EDAB Cc1snnc1C(=O)N1C[C@@H]2CCN(Cc3cccnc3)[C@@H]2C1 585107671 PYHCNVMDZVOSLM-UONOGXRCSA-N 329.429 1.588 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 44977433 RXQBVZTVCNJSLO-LLVKDONJSA-N 342.446 1.312 0 40 EDAB CCO[C@H]1C[C@@H](NC(=O)NCc2nnc3ccccn23)C12CCC2 73501231 VIIPEWIKFXLYNA-OLZOCXBDSA-N 329.404 1.876 0 40 EDAB CN(c1ccc(C(N)=O)nn1)[C@H]1CCCN(Cc2ccccc2)C1 74775184 DOQMENJJCIHFHP-HNNXBMFYSA-N 325.416 1.676 0 40 EDAB CCn1c(=O)n(CC(=O)N(C)CCCCN(C)C)c2ccccc21 75144447 RLWHCFMQTOPWOC-UHFFFAOYSA-N 332.448 1.623 0 40 EDAB CN1CCO[C@@H](CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 75128312 ZEXZWPZAJZWAEV-HNNXBMFYSA-N 344.415 1.268 0 40 EDAB CC(=O)N1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 58265476 NVKPSYYWSBWTIK-UHFFFAOYSA-N 348.428 1.115 0 40 EDAB O=C(NCCCN1CCCC1)N[C@H]1CC(=O)N(C2CCCCC2)C1 89818374 COZFZRZSSVDLBM-HNNXBMFYSA-N 336.480 1.705 0 40 EDAB O=C(NCCC[C@@H]1CCOC1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 583483310 DCHRQAVMRZHMOG-QLFBSQMISA-N 344.477 1.554 0 40 EDAB CC(=O)N[C@H]1CCOC2(CCN(C3CCN(C(C)=O)CC3)CC2)C1 1615155161 OQLSEAOTKBJXOT-INIZCTEOSA-N 337.464 1.147 0 40 EDAB C[C@@H](OC(=O)/C=C/c1ccc(Br)o1)C(=O)NC(N)=O 6066179 AGFZCWYOGLPDDJ-MXTDHUQFSA-N 331.122 1.182 0 40 EDAB CC(C)(C)NC(=O)CC[C@@H](CC(=O)NC(C)(C)C)S(=O)(=O)O 5885493 RZJMMVRQQVSNLQ-JTQLQIEISA-N 336.454 1.243 0 40 EDAB COc1cc2c(cc1OC)[C@@H](c1c(O)cc(C)n(C)c1=O)OC2=O 11691421 IIWDWXQHHFNASZ-HNNXBMFYSA-N 331.324 1.676 0 40 EDAB COC(=O)c1c(N)nc2c(c(O)nc(=O)n2C)c1-c1ccc(F)cc1 16363816 IPTUDMKBPWVMKK-UHFFFAOYSA-N 344.302 1.209 0 40 EDAB O=C(NCCC(=O)N1CCOCC1)c1cc(-c2ccc(F)cc2)on1 19336602 ZBZNYGRDEIMEQZ-UHFFFAOYSA-N 347.346 1.459 0 40 EDAB COCC(=O)N1CCC[C@@H]1c1nc(C)c(Cc2ccccc2)c(=O)[nH]1 19579258 ZPZJUIDJUIKNEQ-MRXNPFEDSA-N 341.411 1.979 0 40 EDAB COCCc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)O)cc1 538090124 POSQTLZCXKACNX-UHFFFAOYSA-N 339.373 1.108 0 40 EDAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc(-n2cnnn2)cc1 24735797 YDOYRXVUQOMYOI-UHFFFAOYSA-N 333.311 1.965 0 40 EDAB Cc1cccc(S(=O)(=O)NCc2nc(-c3cccnc3O)no2)c1 238967291 ZBRFZRYKVVBZKH-UHFFFAOYSA-N 346.368 1.624 0 40 EDAB CC(C)(C)C(=O)N1CCc2ncc(CNC(=O)C3CCC3)n2CC1 2055772237 LSMCWRWADQQBBF-UHFFFAOYSA-N 332.448 1.730 0 40 EDAB O=C(Nc1ccc2c(c1)OCO2)N1CC[C@H](Oc2ncccn2)C1 575611350 VRFGHECNCSCCQH-LBPRGKRZSA-N 328.328 1.891 0 40 EDAB CS(=O)(=O)N1CCC(NCc2ccccc2Br)CC1 30656236 WTFKVJHTJQBSBE-UHFFFAOYSA-N 347.278 1.963 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1cccnc1N1CCOCC1 30310687 CJOMNMJRLSKPPE-UHFFFAOYSA-N 329.404 1.199 0 40 EDAB Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(NC(=N)N)=NC1=O 20028248 KIDXKVAJCQDGRC-VIFPVBQESA-N 339.808 1.458 0 40 EDAB COc1ccc(OC)c2[nH]c(C(=O)NCCNC(=O)C3CC3)cc12 40267194 DYWBAUVRSYRKFB-UHFFFAOYSA-N 331.372 1.441 0 40 EDAB COc1ccc(NC(=O)NCCCCN2CCC(C(N)=O)CC2)cc1 31093817 NMIYGGLBCBVQAW-UHFFFAOYSA-N 348.447 1.794 0 40 EDAB CN(CC(=O)N1CCCC1)Cc1cc(=O)n2cc(Cl)ccc2n1 31085226 SBBAIRBULGGISY-UHFFFAOYSA-N 334.807 1.402 0 40 EDAB CN1CCN(C(=O)C[C@H](NC(=O)C(F)(F)F)c2cccs2)CC1 20366253 BHWHPXUETORIBK-JTQLQIEISA-N 349.378 1.632 0 40 EDAB COc1cccc(C[C@H](C(=O)N[C@@H](C)C2CC2)n2nnnc2C)c1 40540203 SBXGPRMFNZWBAZ-MEDUHNTESA-N 329.404 1.689 0 40 EDAB O=C(CCC(=O)N1CCc2[nH]c3ccccc3c2C1)N1CCOCC1 20761936 SFXMVMFBAJXKHK-UHFFFAOYSA-N 341.411 1.692 0 40 EDAB biogenic O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccccc1 102283112 SYUOXNUKISVYAW-OKILXGFUSA-N 344.367 1.344 0 40 EDAB C[C@@H](OC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2)C(N)=O 21415193 JUDCBEBNXDGTGK-SNVBAGLBSA-N 345.355 1.279 0 40 EDAB O=c1n(CCN2CCN(Cc3ccccc3)CC2)nc2ccccn12 32777969 KGONHQUCYFBSDN-UHFFFAOYSA-N 337.427 1.314 0 40 EDAB COc1cc(NC(=O)c2ccc[nH]c2=O)ccc1N1CCCC1=O 32900423 AHDNQWIICIJXHJ-UHFFFAOYSA-N 327.340 1.763 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)NCCN2CCCCCC2=O)n1 41558541 UKDVZOFFIAXXPD-CQSZACIVSA-N 349.479 1.838 0 40 EDAB CCOc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1 103286952 LMKAQFONHXGOED-VUTUTYQISA-N 341.388 1.920 0 40 EDAB O=C(CCn1cnc2sccc2c1=O)N1CCO[C@@H]2CCC[C@H]21 53373943 PQCCUVNMTHHVOO-CHWSQXEVSA-N 333.413 1.628 0 40 EDAB Cn1c(S)nnc1CNC(=O)COCc1ccccc1Cl 103980806 GOUKFHGBIBKVQM-UHFFFAOYSA-N 326.809 1.590 0 40 EDAB CCN(Cc1ccc2c(c1)OCO2)Cc1cc(=O)n2nccc2[nH]1 104097681 YSUIPJQESOAVBP-UHFFFAOYSA-N 326.356 1.773 0 40 EDAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccncc2)C1=O 23946113 JWEKBDZXBCBACL-SFHVURJKSA-N 338.367 1.670 0 40 EDAB CCC[C@H](C)N1C[C@@H](C(=O)NCc2cn3ccccc3n2)CC1=O 54831096 FVQGKQXLRXITGT-KBPBESRZSA-N 328.416 1.988 0 40 EDAB Cn1c(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc2ccccc21 78788423 GQJARHGBSIVIDX-AEFFLSMTSA-N 327.428 1.850 0 40 EDAB CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCCCC1 2626786 UUHZSZDVFVCTTG-UHFFFAOYSA-N 325.434 1.537 0 40 EDAB CCOC(=O)C1=[N+]([O-])O[C@H](C(=O)OCC)[C@@H]1c1c[nH]c2ccccc12 3098274 DYTXRRGYJIFRPF-HIFRSBDPSA-N 346.339 1.643 0 40 EDAB COc1ccc(C2=C(NCc3ccccc3)C(=O)NC2=O)cc1OC 3107265 OCLIGBRBPRLMBD-UHFFFAOYSA-N 338.363 1.861 0 40 EDAB COC(=O)CCCC[C@H]1SC[C@@H](NC(=O)OC)[C@H]1NC(=O)OC 4023683 PIBDLFSMWIKWTO-CKYFFXLPSA-N 348.421 1.284 0 40 EDAB biogenic Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 6772042 AJADKWIIVLSSER-UHFFFAOYSA-N 332.381 1.918 0 40 EDAB CCOCCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 6957780 OMMQMGVSPPGQNI-UHFFFAOYSA-N 328.434 1.158 0 40 EDAB Nc1nc(N)nc(COC(=O)Cc2csc(-c3ccsc3)n2)n1 8001970 KYFMKEFNKGFYIW-UHFFFAOYSA-N 348.413 1.507 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 8180968 MRGRDCXLDQSELC-UHFFFAOYSA-N 329.381 1.997 0 40 EDAB COC[C@H](C)NC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 57775568 XNENIBOTDWAWDW-CABZTGNLSA-N 336.310 1.953 0 40 EDAB CCN1CCO[C@H](C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1 95417386 ULJOCELMWXJILC-KBPBESRZSA-N 346.349 1.576 0 40 EDAB CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 27576992 JXCDPOKSTRGOMW-LBPRGKRZSA-N 327.402 1.647 0 40 EDAB C[C@@H](NC(=O)N1CCN(C(=O)CC(F)(F)F)CC1)c1ccccn1 58221453 KWACIFGYWZSBKV-LLVKDONJSA-N 344.337 1.949 0 40 EDAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CC1 9963079 CDSOTBMDXQZIGJ-UHFFFAOYSA-N 328.459 1.949 0 40 EDAB CN(C)c1cccc(C(=O)N2CCN(C(=O)c3cnccn3)CC2)c1 58293546 AYRNQXRZFFWWOG-UHFFFAOYSA-N 339.399 1.141 0 40 EDAB O=C(c1cc(C(=O)O)c(=O)n(-c2nccs2)c1)c1ccccc1O 44978444 ZHUYEVLTUDYPGI-UHFFFAOYSA-N 342.332 1.929 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCCNC(=O)c2n[nH]c3ccccc23)c1 58415758 LJQDUPOLDWJONB-UHFFFAOYSA-N 339.355 1.253 0 40 EDAB CN1CCN(c2ccccc2CNC(=O)NCC2(CO)CC2)CC1 95406306 NGLLANSEZABXTJ-UHFFFAOYSA-N 332.448 1.010 0 40 EDAB O=C(NCCc1nnc2n1CCC2)N(C[C@@H]1CCCO1)C1CCCC1 86429832 CZMOUCWQKHLZMG-HNNXBMFYSA-N 347.463 1.900 0 40 EDAB Fc1cnc(N2CCO[C@H]3CC[C@H]2[C@H]3OCc2cccnc2)nc1 107775603 KWZWWXFVCICXDP-HRCADAONSA-N 330.363 1.964 0 40 EDAB CCCNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 36739141 LYFOWEZXPPOLQM-UHFFFAOYSA-N 349.250 1.839 0 40 EDAB C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)n1ccnc1 46762335 RSAGQXGFWOXLHG-HNNXBMFYSA-N 340.427 1.723 0 40 EDAB Cc1cc(=O)c(C(=O)NC2CCN(C)CC2)nn1-c1ccccc1F 54460084 LTOQMLPHMSNHCD-UHFFFAOYSA-N 344.390 1.504 0 40 EDAB Cc1cc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)ccc1-n1cnnn1 100338162 XUWOEJBGWJFZQK-BZPMIXESSA-N 333.417 1.438 0 40 EDAB NC(=O)[C@H](c1ccccc1)N1CCC[C@H](C(=O)Nc2ccccn2)C1 47260014 DUHKJZGEAFLNMR-RDJZCZTQSA-N 338.411 1.959 0 40 EDAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccncc2)cc1 23010179 VAEJOPHVUQNKNG-UHFFFAOYSA-N 340.383 1.605 0 40 EDAB CCn1nccc1CN(C)S(=O)(=O)c1ccsc1C(=O)OC 12397953 ZKTPVWRPJVMNJI-UHFFFAOYSA-N 343.430 1.572 0 40 EDAB Cc1ccnc2nc(C(=O)Nc3ccc4c(c3)OCCCO4)nn12 12620585 KORBNJWXJREQQE-UHFFFAOYSA-N 325.328 1.846 0 40 EDAB O=S1(=O)CC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2)C1 37998865 SNZUJIDBQLAPDD-SECBINFHSA-N 339.385 1.530 0 40 EDAB NC(=O)COc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)CO2 48310841 JRPHGOVPGFATHT-UHFFFAOYSA-N 341.323 1.134 0 40 EDAB CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3419768 MIHFXDXVXNTOHK-KPZWWZAWSA-N 329.400 1.541 0 40 EDAB C[C@@H](OC(=O)c1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3520753 BNFZKTZSFGFBIH-SECBINFHSA-N 338.341 1.111 0 40 EDAB C[C@H](NC(=O)[C@@H](O)CN1CCCCC1)[C@@H]1COc2ccccc2O1 13511600 LQMCJXNMRPKICH-ZQIUZPCESA-N 334.416 1.178 0 40 EDAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2nsnc2c1 13729973 YSBDJAQBIWSBMC-NSHDSACASA-N 333.417 1.230 0 40 EDAB C/C(NCCCO)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 6184947 DLYBDSCQHCOXQP-FMIVXFBMSA-N 337.763 1.169 0 40 EDAB Cn1c(=O)/c(=C/c2cc(F)ccc2F)s/c1=C/C(=O)C(C)(C)C 96307316 ZKLMZUQNXQMZMK-LHHRFCNSSA-N 337.391 1.950 0 40 EDAB Cc1cccc(S(=O)(=O)N2CSC[C@H]2C(=O)N2CCCC2)c1 65531816 XMNQWDUJXLCGCI-AWEZNQCLSA-N 340.470 1.681 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@H](C(C)C)n3cncn3)CC2)cs1 65505348 OQYHSBIQDDGYBZ-HNNXBMFYSA-N 348.476 1.585 0 40 EDAB O=C(CN1CCC[C@H](n2ccnc2)C1)NCc1ccc2c(c1)OCO2 65562459 PAUICIIZNPCPGS-HNNXBMFYSA-N 342.399 1.565 0 40 EDAB CN(C)C(=O)CN1CCN(C(=O)c2csc(C(C)(C)C)n2)CC1 65626244 GBPFYZLRHJOEEO-UHFFFAOYSA-N 338.477 1.287 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)NCCc1nnc2ccccn12 65609919 ADMYYMLMCVUHDO-KBPBESRZSA-N 332.404 1.362 0 40 EDAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCCNc2ncccn2)C1 65622809 AUPNKTMIDRNTOD-AWEZNQCLSA-N 348.451 1.082 0 40 EDAB CCSc1nnc(NC(=O)Cn2c(=O)n(C)c3ccccc32)s1 14106586 WPZBOYNTCOFLHS-UHFFFAOYSA-N 349.441 1.942 0 40 EDAB CNC(=O)NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 6605149 HYXBFFABEBTTIX-UHFFFAOYSA-N 326.352 1.895 0 40 EDAB CCCCN(Cn1ncn(C)c1=S)Cn1ncn(C)c1=S 5785865 CFUGOGCWXGJMBU-UHFFFAOYSA-N 327.483 1.933 0 40 EDAB Cc1nc(CN2CCC[C@H](N(C)CC(=O)Nc3cccnc3)C2)no1 71870555 MYSFPEBIOCIUQP-HNNXBMFYSA-N 344.419 1.308 0 40 EDAB CCN1C(=O)C(=O)N(CCOc2ccc(Br)cc2)C1=O 5878565 NVBHNSZECZUDHT-UHFFFAOYSA-N 341.161 1.639 0 40 EDAB O=C(c1ccc(N2CCOCC2)nc1)N1CCC[C@H]1Cn1cccn1 71866345 VQXRQRPAHFCYHR-INIZCTEOSA-N 341.415 1.420 0 40 EDAB CC(C)c1nnnn1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 71839284 LABSHZFBEULLOM-CQSZACIVSA-N 333.367 1.536 0 40 EDAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)COCC(=O)NCc1cccnc1 71888957 FABLCWMSCMAPJJ-ZBFHGGJFSA-N 333.432 1.752 0 40 EDAB COc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc2c1OCO2 7127852 YSKFVOKWAVUSET-HNNXBMFYSA-N 337.339 1.870 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1 71871145 RQTWAOJMWYJGNN-LLVKDONJSA-N 347.337 1.161 0 40 EDAB C[C@H](C(=O)N[C@H]1CCOC(C)(C)C1)n1nnc2ccccc2c1=O 80359094 LIFJOVNDVNGNBB-NEPJUHHUSA-N 330.388 1.426 0 40 EDAB CN1CC[C@H](NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1=O 80402830 OZTNXIWHOSJGLN-ZDUSSCGKSA-N 326.356 1.575 0 40 EDAB COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)NCC(F)(F)F)cc1 8132162 YYDCYIKIZWXIAK-SNVBAGLBSA-N 347.337 1.633 0 40 EDAB CC(C)[C@H](C)N(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 95948939 KDNPOJUTQAKDME-LBPRGKRZSA-N 327.450 1.916 0 40 EDAB CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc2c(c1)OCO2 69350288 RICIARNNLSQOCV-LBPRGKRZSA-N 336.413 1.703 0 40 EDAB C[C@@H]1CCCCN1S(=O)(=O)N1CSC[C@@H]1C(=O)N1CCCC1 69491433 FTNNYSPDOGQCAV-CHWSQXEVSA-N 347.506 1.103 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 69434201 YSQOJULDAIGUPG-DLBZAZTESA-N 337.489 1.922 0 40 EDAB O=C(CNC(=O)c1cc(-c2ccccc2)on1)NO[C@@H]1CCCCO1 69452742 RTTRSHGNCPZGNY-MRXNPFEDSA-N 345.355 1.646 0 40 EDAB O=C(Cc1ccc(NC(=O)N2CCOCC2)cc1)N1CCSCC1 69561958 DHUGXUJFDPGQON-UHFFFAOYSA-N 349.456 1.669 0 40 EDAB Cc1nnc2n1CCN(C(=O)C[C@@](O)(c1ccco1)C(F)(F)F)C2 69592559 CVCGTWFRGHJUER-CYBMUJFWSA-N 344.293 1.362 0 40 EDAB CCc1nc2n(n1)C[C@@H](NCc1ccc(OCCN(C)C)cc1)CC2 69652167 RIVBJARJPGQTPK-INIZCTEOSA-N 343.475 1.886 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@H](N2CCNC2=O)C1 96999464 PLLGQUOUWICVQL-ZDUSSCGKSA-N 346.387 1.115 0 40 EDAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)COCCOc1ccccc1 69770148 VKYALZKRFKWRJV-CQSZACIVSA-N 343.445 1.364 0 40 EDAB CC(=O)c1ccc(S(C)(=O)=O)c(N2CC[C@H]3CC[C@@H](C2)N3C)c1 97082578 VQLJICNIEGKISB-CABCVRRESA-N 336.457 1.966 0 40 EDAB COCCN1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 69815836 NLJGLZFBTAXRAT-UHFFFAOYSA-N 339.443 1.796 0 40 EDAB COC(=O)c1cccnc1NC(=O)c1cccc(CS(C)(=O)=O)c1 69876396 DWJDASJASPMBQM-UHFFFAOYSA-N 348.380 1.665 0 40 EDAB O=S(=O)(c1c[nH]cn1)N1CCCC[C@H]1c1nnc2n1CCCC2 97046865 RGMZRJYCMHOKJE-NSHDSACASA-N 336.421 1.253 0 40 EDAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1cnns1 97082191 HNBAYNPJMHTGGM-CQSZACIVSA-N 332.429 1.425 0 40 EDAB Cn1cc([C@@H]2[C@@H](C(=O)O)CC(=O)N2CCOc2cccc(F)c2)cn1 72275769 QWJYZLCIEKMIRP-GOEBONIOSA-N 347.346 1.612 0 40 EDAB COc1c([C@H]2CCCN2CC(=O)Nc2cc(C)nn2C)c(C)nn1C 72253707 ZKRPNCSQQDEGOH-CYBMUJFWSA-N 346.435 1.555 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc(=O)n(C)c2ccccc12 72325261 WTGIJYGXNOZQDR-AWEZNQCLSA-N 330.384 1.856 0 40 EDAB biogenic Cc1nn(-c2ccc(NC(=O)[C@H]3CC(=O)N(C)C3)cn2)c(C)c1Cl 72403982 KPCJSMOPESOATJ-NSHDSACASA-N 347.806 1.954 0 40 EDAB Cn1cc(C(=O)C[C@@H]2CCCN2[C@H](C(N)=O)c2ccccc2)cn1 95977658 IYAMVCQHZSKFKP-RDJZCZTQSA-N 326.400 1.684 0 40 EDAB CC[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)C[C@H]1N(C)C 84735570 NSOWDLVAVIQYBX-GOEBONIOSA-N 343.427 1.902 0 40 EDAB CNC(=O)[C@H]1CCCCN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 95439616 XWBOEPUXDJYEJK-CYBMUJFWSA-N 348.827 1.909 0 40 EDAB CC1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 22517148 QEDMTGKAPGCSIJ-OAHLLOKOSA-N 338.429 1.472 0 40 EDAB COC(=O)CN1CCCN(c2nc(C)nc3scc(C)c23)CC1 121291674 MZXFIGGOKAADDP-UHFFFAOYSA-N 334.445 1.993 0 40 EDAB COc1ccc([C@H](C)NC(=O)N(C)[C@H](C)CS(C)(=O)=O)cc1F 69917632 BIDWIBVOXGPSRS-MNOVXSKESA-N 346.424 1.970 0 40 EDAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCN1CCOCC1 408706186 WUXHLXKKOSYTIY-KRWDZBQOSA-N 336.432 1.691 0 40 EDAB O=C(NCCNC(=O)c1c(F)cccc1F)NC[C@@H]1CCOC1 79036266 PTEKOWJZZFKVLT-JTQLQIEISA-N 327.331 1.030 0 40 EDAB Cn1cnc2nc(O)cc(C(=O)NCc3nc4ccc(F)cc4[nH]3)c21 553163454 RCJLWQCPGSHOFD-UHFFFAOYSA-N 340.318 1.619 0 40 EDAB CN1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)CC1 36092294 HUCFJRNQDAMXEJ-UHFFFAOYSA-N 345.424 1.366 0 40 EDAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)cc1 1567976217 XFQROFBKJOWHSO-GFCCVEGCSA-N 342.355 1.920 0 40 EDAB COc1ccc(CNS(=O)(=O)c2cnn(-c3ccccn3)c2)cc1 72239026 DLETZJSYTRCKBZ-UHFFFAOYSA-N 344.396 1.754 0 40 EDAB C[C@@H](NC(=O)NCc1nc(C2CC2)no1)C(=O)Nc1ccccc1 78988704 ABSFDCNSKQTVFY-SNVBAGLBSA-N 329.360 1.773 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)Cc2cnn(C)c2)cc1 186306978 NMNSEMBLMOUSQC-ZDUSSCGKSA-N 335.429 1.250 0 40 EDAB COc1ccc(Nc2nc3c(C)nn(C)c3c(=O)n2C)c(OC)c1 32651467 YJCXZGGSVCHKTG-UHFFFAOYSA-N 329.360 1.736 0 40 EDAB COc1c(C(=O)NC[C@@]2(O)CCCc3ccccc32)c(C)nn1C 75213404 AUYRGTCOMUIZRT-SFHVURJKSA-N 329.400 1.691 0 40 EDAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(C)(=O)=O 218012762 JBTQCEBIQQKOKJ-WWGRRREGSA-N 340.445 1.419 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@H](C)C1)C2 72279428 UUNYBGVMCLZBRK-DFGXFYAUSA-N 348.491 1.756 0 40 EDAB COc1ccc(N2Cc3nc(N4CCOCC4)ncc3C2=O)cc1 46088761 RVVHJMAGOCSKAX-UHFFFAOYSA-N 326.356 1.482 0 40 EDAB COc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1 224176330 HRRUGDWSOOKIIN-UHFFFAOYSA-N 342.399 1.560 0 40 EDAB C[C@@H]1CN(C(=O)Cn2ccc(=O)c3ccccc32)C[C@@]1(C)C(=O)O 569976206 CKQXOZPSPIOEHV-KZULUSFZSA-N 328.368 1.571 0 40 EDAB Cc1cc2c(cc1S(=O)(=O)Nc1nccs1)oc(=O)n2C 223340536 CGTXLOIWIXXEPT-UHFFFAOYSA-N 325.371 1.697 0 40 EDAB CCN(C(=O)c1ccn(Cc2ccccc2)c1)[C@@H]1CC(=O)NC1=O 195557785 RWIGRRFJIIOUHK-OAHLLOKOSA-N 325.368 1.414 0 40 EDAB CS(=O)(=O)NCc1ccc(I)c(Cl)c1 225715468 MTWGWHIFZQSEQB-UHFFFAOYSA-N 345.589 1.994 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Nn2ccnc2)cc1 585122112 OAKPEKXGNPWGLM-HNNXBMFYSA-N 327.388 1.451 0 40 EDAB CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cccc2c1CCN(C)C2 585115876 XOBSXHIRYOXDCS-FZMZJTMJSA-N 344.502 1.065 0 40 EDAB Cn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1cnccn1)C2 96198290 WDTWXXREFOZHEM-AWEZNQCLSA-N 327.388 1.376 0 40 EDAB COCCOCCS(=O)(=O)Nc1cccc2c(OC)nccc12 585118866 FWYWZRZPSLMGKA-UHFFFAOYSA-N 340.401 1.648 0 40 EDAB O=S(=O)(c1c(F)cccc1Cl)N1CCN(CCCO)CC1 97380103 LOGSYQDYGVDRKY-UHFFFAOYSA-N 336.816 1.168 0 40 EDAB O=C(Nc1ccc(Cn2ccccc2=O)cc1)N[C@H]1CCC[C@@H]1O 96415818 GLQDUKJFRNZYIW-HOTGVXAUSA-N 327.384 1.932 0 40 EDAB Cc1nccn1CCCCNS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 96428249 SEZVIYNJFUNODR-KBPBESRZSA-N 328.482 1.784 0 40 EDAB COC(=O)[C@@H](c1ccccc1C)N1CCN(Cc2nccn2C)CC1 97094884 BSHUZXZYSXJSNW-GOSISDBHSA-N 342.443 1.760 0 40 EDAB CC(C)(C)OC(=O)NC1(c2noc(CCn3cncn3)n2)CCC1 96405343 KJTKZODOKXVHLW-UHFFFAOYSA-N 334.380 1.808 0 40 EDAB CO[C@H]1CN(C(=O)CCN(C)Cc2ccccn2)C[C@@]12CCCO2 257262783 LMWVAUTZFYRIOK-WMZOPIPTSA-N 333.432 1.310 0 40 EDAB CCOc1nccn2c(CNC(=O)Cc3ccccc3OC)nnc12 253471746 FJTORZJGKAMSLP-UHFFFAOYSA-N 341.371 1.391 0 40 EDAB CCOC(=O)[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)CC 252516683 VXJOXLVIIQPCPT-SCRDCRAPSA-N 331.821 1.501 0 40 EDAB O=C(c1cnc2ccccc2c1)N1CC[C@@](O)(CN2CCOCC2)C1 257213815 CJELBHJLCAOQJJ-LJQANCHMSA-N 341.411 1.144 0 40 EDAB Cn1c(C(F)(F)F)nn(CCNC(=O)/C=C/c2ccccc2)c1=O 85555733 XKTBOVAOMJWZJE-BQYQJAHWSA-N 340.305 1.430 0 40 EDAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC(Nc2ncccn2)C1 253473514 VSORTWGVTAYVIA-NSHDSACASA-N 342.355 1.296 0 40 EDAB Cc1noc(C)c1CCC(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O 257271856 NABNNQMJEIZHGA-BFYDXBDKSA-N 332.404 1.610 0 40 EDAB O=C(c1ccnnc1)N1CCOC[C@H](Cc2ccc3[nH]ncc3c2)C1 257214765 CNJCUZGUFMSELX-CQSZACIVSA-N 337.383 1.684 0 40 EDAB CC(=O)N1CCC(Cc2cnc(CN3CCC[C@@H]3CO)cn2)CC1 257216853 CWIVGQBZOJTSND-GOSISDBHSA-N 332.448 1.234 0 40 EDAB C[C@@]1(NC(=O)Cn2ncc3ccccc3c2=O)CCCC[C@H]1C(=O)O 262830189 QHRUGLYIJJKZPK-KBXCAEBGSA-N 343.383 1.546 0 40 EDAB Cn1nnc2c1C[C@H](C(=O)NC[C@@H]1CCCC[C@H]1N1CCCC1)CC2 1615001577 WPDXMXGLOYCMKR-HLLBOEOZSA-N 345.491 1.691 0 40 EDAB CC[C@@H]1c2cccn2CCN1C(=O)c1nnn(-c2ccn(C)n2)c1C 1615562689 FCKADLHHJQYFJT-CYBMUJFWSA-N 339.403 1.718 0 40 EDAB CCn1ncc(Br)c1C(=O)N[C@H](C)c1noc(C)n1 1615612659 JQFLIRAOOAVOSI-ZCFIWIBFSA-N 328.170 1.848 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@]12CCN(Cc1cccnc1)C2=O 96070314 XMFCXIPKIGIPKQ-IDHHARJASA-N 343.427 1.315 0 40 EDAB CC(C)CCC(=O)N1CC2(C[C@H](OCC(=O)N(C)C)CS2)C1 575403418 KGIPTNRMFANZJU-ZDUSSCGKSA-N 328.478 1.614 0 40 EDAB COc1ccccc1CC(=O)NCCn1nc(C2CC2)ccc1=O 575607852 KMOJLEQNAJVYQG-UHFFFAOYSA-N 327.384 1.488 0 40 EDAB Cc1ccn(CCC(=O)NC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n1 585283489 BEAINUAOZHNVEL-SZVBFZGTSA-N 343.427 1.916 0 40 EDAB Cn1cc(CN2CC3(CC[C@@H](CNC(=O)N4CCCC4)CO3)C2)cn1 585104438 IOEZTBBBDQDGNY-HNNXBMFYSA-N 347.463 1.207 0 40 EDAB CCCn1nccc1NS(=O)(=O)c1cnc2c(c1)c(C)nn2C 66253360 WTMCSIVWDVEXLV-UHFFFAOYSA-N 334.405 1.684 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)Nc3ccncc3)C2)n1 69701364 SKSBNEJEJDQAIG-OAHLLOKOSA-N 328.420 1.641 0 40 EDAB COCCn1nc(C)c(CNC(=O)[C@@](C)(O)c2cccc(F)c2)c1C 72289549 WBTITNXMJNYWMH-SFHVURJKSA-N 349.406 1.809 0 40 EDAB C[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1ccc(S(C)(=O)=O)cc1 44335618 ASBWUNHLMHDPNL-AAEUAGOBSA-N 338.429 1.136 0 40 EDAB COc1ccc(CN2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)cc1 44334933 IDNLLCUMGURXGF-MRXNPFEDSA-N 345.443 1.208 0 40 EDAB Cc1noc(C2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)n1 53454738 HUWAFOIJRKFCFN-UHFFFAOYSA-N 343.387 1.566 0 40 EDAB Cc1c([C@@H](C)NC(=O)CNC(=O)C2CC2)cnn1-c1ccccc1 58246924 QUVSYZHLBSHNAH-GFCCVEGCSA-N 326.400 1.884 0 40 EDAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCCNC(=O)C(C)C 97299706 RJMYRSXKRLIZBQ-UWUHSAQLSA-N 341.477 1.133 0 40 EDAB C/C=C1\C=C(C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 1559538516 UAYZNOYHWPOXJQ-KUIOOJLVSA-N 333.384 1.113 0 40 EDAB CCOC(=O)CNC(=O)CSc1nc2c3ccccc3ncn2n1 12863257 CEDLFTHXELZAFM-UHFFFAOYSA-N 345.384 1.049 0 40 EDAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OC/C=C/c1ccccc1 4278322 UGNYXUNIAPVUIV-RMKNXTFCSA-N 336.347 1.946 0 40 EDAB CN(c1ncc(Cl)cn1)C1CCN(C[C@H]2COCCO2)CC1 1849425386 DLOCNOMAGJOFNW-AWEZNQCLSA-N 326.828 1.446 0 40 EDAB Cn1c(N2C[C@H]3CN(C(=O)c4cn[nH]c4)C[C@H]3C2)nc2ccccc21 1888888335 OOZBMXWJVHAYSF-OKILXGFUSA-N 336.399 1.505 0 40 EDAB O=C1CN(S(=O)(=O)CCc2ccccc2)CCN1c1ccccn1 1259736836 NPECMBSJRNHNTC-UHFFFAOYSA-N 345.424 1.303 0 40 EDAB CCNC(=O)COc1ccc(NC(=O)CN2CCCCCC2=O)cc1 25651898 ATGIWWCILQQUOL-UHFFFAOYSA-N 347.415 1.543 0 40 EDAB CC(C)C(=O)N[C@H]1COC2(CCN(C(=O)CN(C)C(C)C)CC2)C1 1614947162 CYXRWLZMTFIGQF-OAHLLOKOSA-N 339.480 1.249 0 40 EDAB COCCN1CC2(CCC1=O)CCN(C(=O)C1(F)CCC1)CC2 1565545861 RACCVDXNGGBJJR-UHFFFAOYSA-N 326.412 1.756 0 40 EDAB O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCOCC1 9664193 ZYHLVYYOBATDSY-GFCCVEGCSA-N 344.458 1.150 0 40 EDAB CC[C@@H](C)CNC(=O)c1ncn2c1CC[C@H](C(=O)N1CCCC1)C2 2055713817 OJKZJEQXAUOZFP-KGLIPLIRSA-N 332.448 1.844 0 40 EDAB CC(C)N(C)Cc1nnc2n1CCCN(C(=O)CCc1ccc[nH]1)C2 2055715654 AVLRWZWYDSUTHM-UHFFFAOYSA-N 344.463 1.812 0 40 EDAB CCN1C(=O)C[C@H](N2CCC(Nc3ccc4c(c3)OCO4)CC2)C1=O 18217938 WGNZEQRSUNWVLC-AWEZNQCLSA-N 345.399 1.439 0 40 EDAB O=C(/C=C/c1ccc(Cl)cc1)N1CC[C@H](N2C(=O)COC2=O)C1 225701512 NEXNDLDSJPUYQM-YIALFULDSA-N 334.759 1.933 0 40 EDAB Cc1nc(-c2ccc(N3CCN(C(=O)c4ccco4)CC3)nc2)no1 42380523 JSNMBOBUXIIJJC-UHFFFAOYSA-N 339.355 1.995 0 40 EDAB COc1cccc(CNC(=O)NCc2nc(-c3cnn(C)c3)no2)c1 575615156 CDXOCZMCNJKXKF-UHFFFAOYSA-N 342.359 1.478 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ncccn3)C2)cc1C 575609982 DOZBVPWPSMWSGR-AWEZNQCLSA-N 333.413 1.935 0 40 EDAB Cc1ccsc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1 575609962 CYIVGFNJOYBHSC-UHFFFAOYSA-N 336.413 1.959 0 40 EDAB CC(=O)OC(C)(C)C(=O)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618254874 GAMKEZLEJRQMMW-ZDUSSCGKSA-N 343.383 1.951 0 40 EDAB Cc1cc2nc(C3CCN(Cc4ccnn4C)CC3)cc(N)n2n1 13226852 ZYILVIXYEMKPBP-UHFFFAOYSA-N 325.420 1.733 0 40 EDAB O=C(Cn1cccn1)N[C@H]1CCCN(c2ccccc2Cl)C1=O 96423127 MWLJGOKOBSKWOF-ZDUSSCGKSA-N 332.791 1.848 0 40 EDAB Cc1nn(C)c(Cl)c1CNCc1cccnc1N1CCOCC1 30901542 UXFHEHGTCGDVFR-UHFFFAOYSA-N 335.839 1.903 0 40 EDAB COc1ccc(C)cc1[C@@H](C)NC(=O)NCCCNS(C)(=O)=O 40498436 XGRSMSGCAYLXEJ-GFCCVEGCSA-N 343.449 1.303 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2occc2-c2ccccc2)CC1 40481245 HAVUQGANMCMVOK-UHFFFAOYSA-N 327.384 1.626 0 40 EDAB Cc1c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(=O)n(-c2ccccc2)n1C 100719654 QOOKFECIGXERRL-SDADXPQNSA-N 349.390 1.796 0 40 EDAB CC(C)C(=O)N1CCC[C@H](C(=O)NCc2nnc3ccccn23)C1 40522887 LEJHUBSYTZPUNK-ZDUSSCGKSA-N 329.404 1.240 0 40 EDAB O=C(CN1CCO[C@H]2CCCC[C@@H]21)NC(=O)NCc1cccs1 51996681 DMBDYYGJJRIRMQ-KBPBESRZSA-N 337.445 1.717 0 40 EDAB O=C(NCc1nc(-c2cccnc2)no1)c1cnn(-c2ccccc2)n1 32814917 WYIRSRDSNANYDU-UHFFFAOYSA-N 347.338 1.642 0 40 EDAB CN(C(=O)c1cc(Cl)c(Cl)n1C)[C@@H]1CCS(=O)(=O)C1 32977321 AZHHRACCGRNSKY-SSDOTTSWSA-N 325.217 1.591 0 40 EDAB CCN(C(=O)[C@H](C)Nc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 52771960 ZRLGLYYCZRQNFL-JSGCOSHPSA-N 340.445 1.531 0 40 EDAB COc1ccccc1/C=c1\s/c(=C\C(=O)c2ccncc2)[nH]c1=O 103018484 XWYVTMGLGMMHRR-APGQMXJTSA-N 338.388 1.332 0 40 EDAB Cc1ccc(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 22410125 ISISTQSPRKPQIA-UHFFFAOYSA-N 340.426 1.121 0 40 EDAB Cc1cccc(N2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)c1C 23625058 BDRIATRVMGQYCC-RTBURBONSA-N 348.487 1.982 0 40 EDAB Cc1cc(C)n([C@H]2CCCN(C(=O)CN(C)c3cnccn3)C2)n1 78771400 GNAGWWODAHFZPO-HNNXBMFYSA-N 328.420 1.590 0 40 EDAB Cc1nc(COc2ccccc2C(=O)N2C[C@H](C)[C@H](N(C)C)C2)no1 78894669 QVUGOUMVANSPMJ-SWLSCSKDSA-N 344.415 1.979 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)CCn1cnc2ccccc2c1=O 24727671 BGJTZMKGHDSRAY-HNNXBMFYSA-N 345.399 1.491 0 40 EDAB biogenic CCOC(=O)c1ccc(N(CCC(=O)COC(C)=O)C(C)=O)cc1 1699614 NQNVFWDZEKXTIL-UHFFFAOYSA-N 335.356 1.739 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)CC)cc1 3342527 ONTBVXONFCSGDK-GFCCVEGCSA-N 328.434 1.668 0 40 EDAB CCCCn1c(SCC(=O)NC(=O)NC)nc2ccccc2c1=O 3515485 FGVLZLWSBHHSCN-UHFFFAOYSA-N 348.428 1.744 0 40 EDAB Cc1cccc(OC[C@H](C)NC(=O)NC[C@@H]2CN(C)CCN2C)c1 72277836 YTWDFSXCSBQREI-JKSUJKDBSA-N 334.464 1.307 0 40 EDAB Cn1cc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cn1 56137537 OBZXORDZQGLDRJ-GJZGRUSLSA-N 339.392 1.758 0 40 EDAB COC(=O)c1sccc1NS(=O)(=O)c1c(C)nn(C)c1C 7709032 PYFKUMZHZIEEKB-UHFFFAOYSA-N 329.403 1.686 0 40 EDAB COc1ccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC 57265230 CHGQBDZDIRYPML-JSGCOSHPSA-N 334.416 1.749 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cccc(C)c2C)CC1 57289846 UAGQXHGZEMCVCB-GOSISDBHSA-N 329.444 1.963 0 40 EDAB COC(=O)c1ccc(C(=O)Nn2c(C)nc3sccc3c2=O)cc1 57635487 OPMWUEUBZBUJCL-UHFFFAOYSA-N 343.364 1.937 0 40 EDAB Cc1ccccc1Cn1cc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cn1 102015364 LUIZAZJQLVUIBW-LUKYLMHMSA-N 337.379 1.907 0 40 EDAB C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(-n2cncn2)nc1 58151710 SXLGOXXILXNUKA-TZMCWYRMSA-N 331.376 1.575 0 40 EDAB COc1cc(NC(=O)C(=O)NCc2ccccc2CO)cc(OC)c1 72230669 XBVLIILAMXBJCH-UHFFFAOYSA-N 344.367 1.451 0 40 EDAB COc1cc(CNC(=O)c2sc3ncn(C)c(=O)c3c2C)ccn1 58154380 SUYWHBQGSBZPRW-UHFFFAOYSA-N 344.396 1.637 0 40 EDAB Cc1cc(C)n(-c2cccc(NC(=O)C(=O)NCCN(C)C)c2)n1 72287732 BFUMVNGREGWZAC-UHFFFAOYSA-N 329.404 1.105 0 40 EDAB CC(C)(C)c1nnc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)o1 44937673 IPBHYSGDUWMHBJ-ZDUSSCGKSA-N 336.436 1.438 0 40 EDAB Cc1cc(NC(=O)CSc2nc3c(c(=O)n2C)SCC3)no1 9560246 VLPFUGASYDDHSS-UHFFFAOYSA-N 338.414 1.456 0 40 EDAB COc1ccc(C(=O)NCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 58305476 AKDNDQRRZMIPAZ-JKSUJKDBSA-N 332.400 1.595 0 40 EDAB CO[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1C)c1ccccc1 58315341 HJUWJFJPVFJSNY-INIZCTEOSA-N 348.424 1.760 0 40 EDAB COc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 58401322 LZMLXHHLZUUPJW-INIZCTEOSA-N 331.416 1.250 0 40 EDAB COC(=O)C(=O)[C@H]1CCc2c(Cl)cc(OC)c(OC)c2C1=O 102872417 NJKPEOWCNNFGGQ-QMMMGPOBSA-N 326.732 1.844 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CCn1cncn1)c1ccc(F)cc1 10895483 DOIQAQDDPRVGHY-OAHLLOKOSA-N 328.351 1.447 0 40 EDAB COCCn1cc(NC(=O)NCC2(C(=O)N(C)C)CCCC2)cn1 72282435 FYXUHUPFKHQSQT-UHFFFAOYSA-N 337.424 1.300 0 40 EDAB Cc1nc2cc(F)ccc2cc1C(=O)OCc1nc(N)nc(N)n1 10925292 VLGCCHOBHLNTQX-UHFFFAOYSA-N 328.307 1.389 0 40 EDAB COc1ccc(N2C[C@H](C(=O)N3CCO[C@H](C)C3)CC2=O)cc1OC 28504782 IZCGUVUXDPPSKE-CHWSQXEVSA-N 348.399 1.304 0 40 EDAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)Cn1ccnc1C 100724233 FNVLRWOBDSYPGB-UKRRQHHQSA-N 336.399 1.831 0 40 EDAB COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 101318020 FMZRZOANMYMODZ-HNNXBMFYSA-N 333.365 1.816 0 40 EDAB COc1c(C)cnc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c1C 84258053 VCBBXZQNDRESOC-GOSISDBHSA-N 346.431 1.612 0 40 EDAB Cc1nc2ncnn2c(N[C@@H]2CS(=O)(=O)c3ccccc32)c1C 97115337 JACNZYYGOIWWJN-GFCCVEGCSA-N 329.385 1.682 0 40 EDAB COc1ccc([C@H](C)NC(=O)NCCNc2cnccn2)c(OC)c1 46079235 XNAHJWAEDUHQBS-LBPRGKRZSA-N 345.403 1.966 0 40 EDAB NC(=O)CC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 48026710 JTDPAZLBVDHLRP-UHFFFAOYSA-N 329.400 1.260 0 40 EDAB Cc1[nH]n2c(n/c(=N\CC(=O)NC3CC3)c3ccccc32)c1Cl 102862561 HLOKGCHJKOPLFA-SDXDJHTJSA-N 329.791 1.957 0 40 EDAB C[C@@H]1CN(C(=O)NCCc2cccnc2)CCN1CC(F)(F)F 95447172 AJNBYNYKKFVXNM-GFCCVEGCSA-N 330.354 1.902 0 40 EDAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cnc2[nH]nc(C)c2c1 95461395 WKEMHILCGAWGPM-XXFAHNHDSA-N 333.392 1.118 0 40 EDAB Cn1nc(C(=O)NCc2ccccc2)cc1OCC(=O)N1CCCC1 57355333 NOBREHHPBYLXNM-UHFFFAOYSA-N 342.399 1.351 0 40 EDAB O=C(NCCCCN1CCOCC1)[C@H]1CC(=O)N(c2ccccc2)C1 48287204 QGPRQLKLJSVQFV-INIZCTEOSA-N 345.443 1.268 0 40 EDAB CCN(C(=O)[C@@H](C)Sc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 12751180 MFRDSOAJLFTZJG-MNOVXSKESA-N 348.515 1.968 0 40 EDAB O=C1O[C@@H]2CC[C@H]3[C@H]2[C@H]2[C@H]4[C@H]5[C@H]6[C@H]7[C@H]8CC[C@H]7O[C@H](O)[C@]6([C@H]43)[C@@]12[C@@H]58 104294386 AZMXBLVUVMAYAD-PPWWEESSSA-N 326.392 1.419 0 40 EDAB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccccc1C 10339409 QBSQLDIJHHESLE-HUUCEWRRSA-N 345.399 1.033 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)CC(=O)c1ccccc1 95442350 SMLRHNZKEYNYDY-LLVKDONJSA-N 335.429 1.977 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 5053730 DNUGGEMJARCRKS-WCQYABFASA-N 344.327 1.078 0 40 EDAB Cn1ncc2c(=O)[nH]c(CN3CCO[C@@H](c4ccccc4)C3)nc21 65412950 VAZIADWIFPCYRL-CQSZACIVSA-N 325.372 1.230 0 40 EDAB Cc1cc(C)n(-c2ccc(CNC(=O)N3CCCN(C)CC3)cn2)n1 65415597 RPKJNHFKSHZVJZ-UHFFFAOYSA-N 342.447 1.731 0 40 EDAB CN(CC(=O)N1CCC[C@H]1C1CCCC1)c1ncnc2[nH]cnc12 65493186 WUABMWRGLZLLSD-ZDUSSCGKSA-N 328.420 1.970 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNC[C@H](Cc1ccccc1)N(C)C)CN2 65625660 DMLWECKLMSXPSS-ROUUACIJSA-N 327.476 1.996 0 40 EDAB CN(Cn1c(=O)oc2cc(Cl)ccc21)[C@@H]1CCS(=O)(=O)C1 14286982 KWFWHZXXSPGKCV-SNVBAGLBSA-N 330.793 1.324 0 40 EDAB COc1ccccc1Nc1nc(N)nc(CN2C[C@H](C)O[C@@H](C)C2)n1 14914264 IZYPEDXBQJEZJX-RYUDHWBXSA-N 344.419 1.815 0 40 EDAB CCSc1ncc(Cl)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 6810442 LYWFDQDTZBXRSL-SSDOTTSWSA-N 335.838 1.159 0 40 EDAB COc1ccc(CC[C@@H](C)NC(=O)NCCN2CCOCC2)cc1 67003802 LJCSSDVOSPTJRX-OAHLLOKOSA-N 335.448 1.648 0 40 EDAB O=C(CCn1[nH]c(=O)ccc1=O)Nc1ccc(OC(F)(F)F)cc1 7327482 AMMMXYPFZMMVIM-UHFFFAOYSA-N 343.261 1.464 0 40 EDAB C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)C(=O)N1CCCCC1 71825242 LFACFCBMAUZFCM-CYBMUJFWSA-N 331.395 1.897 0 40 EDAB Cc1ccc(C)c(OCC(=O)OCC(=O)NC(=O)NC(C)(C)C)c1 7799303 QSFWZCJLJQSLNF-UHFFFAOYSA-N 336.388 1.850 0 40 EDAB O=C(C1CCN(Cc2ccccc2)CC1)N1CCCn2ncnc21 71839374 VYIXWIFJTHDWQI-UHFFFAOYSA-N 325.416 1.927 0 40 EDAB O=c1oc(-c2ccc(F)cc2)nn1CN1CCN(CC2CC2)CC1 71817137 UPHFUBRQQKWLHH-UHFFFAOYSA-N 332.379 1.628 0 40 EDAB O=C(Cn1nc2ccccn2c1=O)Nc1cccc2nsnc12 71875661 UWDXRRSLFXXKOD-UHFFFAOYSA-N 326.341 1.139 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nn2)c1 70004266 BPFIVDHEDZVKKN-CQSZACIVSA-N 337.387 1.472 0 40 EDAB O=C(/C=C/c1ccsc1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 69417798 IBXKYJYCVZQAFY-LSMGEYOZSA-N 340.470 1.139 0 40 EDAB CCc1nc(NC(=O)CN2CCC[C@@H]2Cn2cncn2)sc1C 69484845 MMWLGARUZDOPBA-GFCCVEGCSA-N 334.449 1.709 0 40 EDAB Cc1oc(-c2ccsc2)nc1CC(=O)NCC(=O)Nc1cn[nH]c1 69485418 GWBBQHBVTIYIMQ-UHFFFAOYSA-N 345.384 1.732 0 40 EDAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 8403450 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O=C1CC[C@H](C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)N1 69846683 OWNVEXDODVYUPY-CYBMUJFWSA-N 335.791 1.793 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 69919774 PMZFYUPLTYALQX-KZNAEPCWSA-N 332.444 1.332 0 40 EDAB O=C(NCc1ccccn1)[C@H]1COCC(=O)N1Cc1ccccc1 70641352 RKILKCGIQBFOFY-MRXNPFEDSA-N 325.368 1.125 0 40 EDAB CN(C)c1ncc(CN2CCC[C@H]2C(=O)N2CCSCC2)s1 92672872 QFXJHJPHDZERJY-ZDUSSCGKSA-N 340.518 1.749 0 40 EDAB CN(Cc1cccc(F)c1)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 8993864 JRSOESIMAWHUGC-UHFFFAOYSA-N 341.342 1.488 0 40 EDAB CC[C@@H](CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)c1ccccc1 9156111 VBGBNKRQIYDFJG-ZDUSSCGKSA-N 329.400 1.614 0 40 EDAB CCc1nsc(N2CCN(C(=O)NC3CCN(C)CC3)CC2)n1 73485148 FDZHFARABJDJGZ-UHFFFAOYSA-N 338.481 1.026 0 40 EDAB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CSC(=O)N1 73945702 LOESERAYIVARMV-ZFWWWQNUSA-N 348.472 1.138 0 40 EDAB CC(=O)N(c1nc(Cn2cnn(C(C)(C)C)c2=O)cs1)C1CC1 95997498 GPTWEMIGVOIUPO-UHFFFAOYSA-N 335.433 1.820 0 40 EDAB CCS(=O)(=O)N1CCCN(C(=O)c2ccc(F)c(F)c2)CC1 75018720 QOHKMDCFXQRGOH-UHFFFAOYSA-N 332.372 1.462 0 40 EDAB O=C(NCCN1CCCCCC1=O)c1ccc(-c2ccco2)[nH]c1=O 75124958 XAVRDPRMXQGPEB-UHFFFAOYSA-N 343.383 1.767 0 40 EDAB CC(CO)(CO)NCc1nc(-c2cccc(C(F)(F)F)c2)no1 75104328 RPITZXJSFWNSRP-UHFFFAOYSA-N 331.294 1.588 0 40 EDAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@@H]1C[C@H]1c1ccccc1 89827979 ANOPYIUCZCYIJX-MLHJIOFPSA-N 329.444 1.953 0 40 EDAB O=C1COc2c(cccc2C(=O)NCc2nncn2-c2ccccc2)N1 89857637 XKPUZTOILHOMRB-UHFFFAOYSA-N 349.350 1.528 0 40 EDAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)C(=O)NCc1cccs1 89948667 JCUWUGGNVBZLSA-JGGQBBKZSA-N 337.489 1.989 0 40 EDAB Cc1nn(C)c(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)c1C 76065984 GNBKRSHMGXPTCK-UHFFFAOYSA-N 325.372 1.887 0 40 EDAB CN1C(=O)N[C@](C)([C@H]2CCCN(C[C@H](O)c3ccccc3)C2)C1=O 76058987 LAJLTXNICNFXKO-RLFYNMQTSA-N 331.416 1.372 0 40 EDAB COC(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c1 409372513 ZNOCAEMUONOUEQ-IPJQOSJUSA-N 331.324 1.456 0 40 EDAB CCN(C)[C@H](C(=O)N[C@@H]1Cc2cccnc2NC1=O)c1ccccc1 1548800994 JTPRUNZXNWSNAL-CVEARBPZSA-N 338.411 1.754 0 40 EDAB CCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OCC)cc1 408597914 WKOKZKGXTFGVAQ-LBPRGKRZSA-N 328.434 1.668 0 40 EDAB Cn1cncc1CC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 521483636 RLLSMMCVQYXADG-INIZCTEOSA-N 327.363 1.741 0 40 EDAB Cc1cc(CN2CC3(C[C@@H](Oc4ncccn4)CCO3)C2)n(C)n1 306132216 LCAAOPFJLRFEKI-HNNXBMFYSA-N 329.404 1.331 0 40 EDAB Cc1cc(C)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(=O)[nH]1 78879537 OGVCDMNNHUFZBX-LBPRGKRZSA-N 335.404 1.731 0 40 EDAB Cc1cc(C)n(-c2cncc(NCCNC(=O)C3CCCC3)n2)n1 78979759 HXTRRIPTMHVJHB-UHFFFAOYSA-N 328.420 1.997 0 40 EDAB COc1ccc([C@@H]2[C@H](C(=O)NC[C@@H]3CCCO3)CCC(=O)N2C)cc1 72242054 QUBSZAVWPLFYQK-LZLYRXPVSA-N 346.427 1.900 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)Cc2c[nH]c3ccccc23)n1 78028603 SHZMHXGADWWHRU-UHFFFAOYSA-N 346.412 1.590 0 40 EDAB Cc1cc2nsnc2c(S(=O)(=O)N2CCN(C)CC2)c1C 36056663 ZGHNNSFCEHBVMN-UHFFFAOYSA-N 326.447 1.244 0 40 EDAB O=S(=O)(c1ccccc1)[C@H]1[C@H](c2ccc(F)cc2)C1(CO)CO 218449385 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HMTMKFQDGRCROB-UHFFFAOYSA-N 325.371 1.995 0 40 EDAB COc1ccc(-c2ccc(=O)n(CC(=O)N3CCCC3)n2)c(F)c1 44917728 FXKMPLULANPFRU-UHFFFAOYSA-N 331.347 1.680 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)NCc2nnc3n2CCC3)C12CCCC2 80655285 GRCWGCRYDJGUFZ-CHWSQXEVSA-N 333.436 1.761 0 40 EDAB COc1cc(C(=O)NCCC(=O)NC2CC2)n(-c2ccccc2)n1 227162710 FIGHXUDPGQQXKP-UHFFFAOYSA-N 328.372 1.279 0 40 EDAB Cc1nc(S(=O)(=O)N(C)C[C@@H]2Cc3ccccc3CO2)cn1C 225791523 BNCXWPFVODSTOG-HNNXBMFYSA-N 335.429 1.491 0 40 EDAB C[C@@H](C(=O)NS(=O)(=O)Cc1ccccc1)N(C)CC(F)(F)F 194873745 BSYWFCBZWILNCZ-JTQLQIEISA-N 338.351 1.515 0 40 EDAB Cn1cc(N2C(=O)CC[C@@H]3[C@@H]2CCN3C(=O)c2ccncc2)cn1 96056629 IDJQWADEVAYJPA-CABCVRRESA-N 325.372 1.225 0 40 EDAB Cc1csc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccco3)C2)n1 96209443 XEXLXUYEZZELJY-DYVFJYSZSA-N 347.440 1.923 0 40 EDAB CC(C)N(C)C[C@H]1CO[C@@]2(COCCN(C(=O)N3CCCC3)C2)C1 96052007 BJROJFCKNVYNAG-WMZOPIPTSA-N 339.480 1.650 0 40 EDAB COC[C@H]1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CN1C 96206107 OXUMZVMHVIZVNV-OAHLLOKOSA-N 346.427 1.988 0 40 EDAB Cn1ncc2c1CN(C(=O)Cc1ccccn1)C[C@H]2COCC1CC1 96044652 UCGKZCPEZFWKDY-HNNXBMFYSA-N 340.427 1.910 0 40 EDAB COCC(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2cccc(C)n2)C1 96040164 MGZQOEZALZEQEH-HKUYNNGSSA-N 348.443 1.951 0 40 EDAB Cc1ccc(NCc2cnc3n2CCN(C[C@H]2CCOC2)CC3)nn1 96197136 UABXYRDJIBIDEQ-OAHLLOKOSA-N 342.447 1.488 0 40 EDAB O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CCN(Cc1ccccn1)C2 96038792 ITAUDTJVAZHBPK-IEBWSBKVSA-N 341.411 1.972 0 40 EDAB CCN1C[C@@H](C(=O)N2CC[C@H](COCc3ccccc3)C2)CC1=O 96426028 ZPWCVJUSADQNRV-IRXDYDNUSA-N 330.428 1.920 0 40 EDAB CNC(=O)NCC(=O)NCC(C)(C)c1ccccc1Br 95446032 FAEWNOOZOXGTMP-UHFFFAOYSA-N 342.237 1.772 0 40 EDAB Cc1nnc([C@H]2CO[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]32)o1 96216794 IBONJYCBPKRWOK-DVOMOZLQSA-N 329.356 1.721 0 40 EDAB O=C(c1nccn2c(Br)cnc12)N1C[C@@H](F)C[C@H]1CO 583620536 QZOJSCSCLZJYFV-YUMQZZPRSA-N 343.156 1.037 0 40 EDAB C[C@]1(C(=O)NCCCN2CCOCC2)CC(c2cccc(F)c2)=NO1 96193014 ZHAXGMZVSIKBOV-GOSISDBHSA-N 349.406 1.547 0 40 EDAB O=C(NCc1cccnc1)[C@H]1C[C@@H]2CCN(c3ccncn3)C[C@H]2O1 96042779 RUUXTEJGMKGPDG-ARFHVFGLSA-N 339.399 1.172 0 40 EDAB CCC1=N[C@@]2(CC[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)C(=O)N1CC(C)C 96261688 RCGCIAKGJJXUTI-ZRGWGRIASA-N 348.491 1.462 0 40 EDAB COc1cn(CC(=O)NC2CC2)c(CN2CCCCCC2)cc1=O 95476672 PYZOEYYYWCKPTI-UHFFFAOYSA-N 333.432 1.512 0 40 EDAB CN(Cc1ccccn1)C(=O)CCN1CCN(c2ccccn2)CC1 96427151 VDRKVGRPKNXVHX-UHFFFAOYSA-N 339.443 1.647 0 40 EDAB O=C(c1ccco1)N1CCOC2(CCN(C[C@H]3CCOC3)CC2)C1 96158908 DIDGSTYCQGNWFX-OAHLLOKOSA-N 334.416 1.623 0 40 EDAB O=C(N1CCCC1)N1CCOC[C@]2(C[C@H](CN3CCCC3)CO2)C1 96052050 XFPOZRIMDGRQFK-AEFFLSMTSA-N 337.464 1.406 0 40 EDAB Cc1ccoc1C(=O)N1CCc2c(nnn2C)[C@H]1COCC1CC1 96045283 CDDSJHIOUIKOFZ-CQSZACIVSA-N 330.388 1.883 0 40 EDAB CC1CN(C(=O)[C@H](NC(=O)c2cc(Cl)ccc2Cl)[C@@H](C)O)C1 585135689 XAHDYYUDHMAMCQ-NOZJJQNGSA-N 345.226 1.951 0 40 EDAB CCc1c(C)nc2nc(C)n(Cc3ccccc3C(=O)OC)n2c1=O 585123016 PTZQUHDWWXZYJA-UHFFFAOYSA-N 340.383 1.905 0 40 EDAB CO[C@@H]1CN(C(=O)CCCOc2ccccc2)C[C@H]1c1cnn[nH]1 585114240 MMGBZUIQIYSRKD-GOEBONIOSA-N 330.388 1.605 0 40 EDAB CC(C)CN1CCO[C@@H](CNS(=O)(=O)N2CCCCCC2)C1 26958876 KNCBMPHRMAPDSQ-HNNXBMFYSA-N 333.498 1.054 0 40 EDAB Cc1noc(C)c1CC(=O)NCc1ccnc([C@@]2(C)CCCO2)n1 257252247 JUBZHFIWESJTLY-QGZVFWFLSA-N 330.388 1.966 0 40 EDAB Cc1cn(C)c([C@H]2CN(C(=O)c3cc(C)c(C)nc3O)CCO2)n1 257247248 IYDGRIJUUTVVIW-CQSZACIVSA-N 330.388 1.660 0 40 EDAB Cc1cnn(CC(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)c1 257341154 ZJAVRQWFZHRKMP-KRWDZBQOSA-N 329.404 1.714 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)c1cccnn1 257215042 COJZMUVODFXUHV-KRWDZBQOSA-N 345.378 1.114 0 40 EDAB Cc1nc(CC(=O)N2CCOC[C@@H](Cc3cc(O)ncn3)C2)cs1 257320034 VVBHZCFWCREHRK-LBPRGKRZSA-N 348.428 1.207 0 40 EDAB C[C@H](NC(=O)Nc1ccnc(C(=O)N(C)C)c1)C1=CCN(C)CC1 272641473 CIOHDBSEZVKYAQ-LBPRGKRZSA-N 331.420 1.555 0 40 EDAB Cn1cc(CCNC(=O)C2(n3cc(Br)cn3)CC2)cn1 1615002878 PBWHVARNZURXMR-UHFFFAOYSA-N 338.209 1.227 0 40 EDAB C[C@@H]1CCN(C(=O)C[C@H](N2CCOCC2)C(F)(F)F)CCS1 1615586973 TVQNQIPIDGUDMY-NEPJUHHUSA-N 340.411 1.994 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)[C@H]1NCCOc2ccccc21 1615615526 RGAKLVXTHWCWFL-KRWDZBQOSA-N 328.416 1.879 0 40 EDAB CS(=O)(=O)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 96098229 ZCRDIPRZQWHWPU-UHFFFAOYSA-N 339.385 1.163 0 40 EDAB O=C(C1CN(c2cc(-n3ccnc3)ncn2)C1)N1CCc2ccccc21 390828096 OPHNMTVNVAGMNL-UHFFFAOYSA-N 346.394 1.688 0 40 EDAB O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)s1 575414550 WRYUCIGTCGUCQZ-SECBINFHSA-N 348.819 1.848 0 40 EDAB O=C(COc1cccc(Cl)c1)NCCn1nc2c(cc1=O)CCC2 575609285 UIXFMXGUDDLIJY-UHFFFAOYSA-N 347.802 1.581 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4nnsc4C)C[C@H]3C2)cs1 585107570 FDIHYYFNGDAHRS-TXEJJXNPSA-N 349.485 1.815 0 40 EDAB Cc1ccc(C)c(CN2Cc3ccnn3[C@H](CNS(C)(=O)=O)C2)c1 585113067 YIRRXXCYSJTLBL-QGZVFWFLSA-N 348.472 1.606 0 40 EDAB COc1ccc(C2(C(=O)N(C)[C@@H]3COC[C@@H](OC)[C@H]3OC)CC2)cc1 585287743 DEYDTNMUDXFPME-ZACQAIPSSA-N 349.427 1.614 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)Cn3cc(C)cn3)CCO2)c1 585278808 VNOBHWLFPADQNY-LJQANCHMSA-N 343.427 1.333 0 40 EDAB C[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccc(OC(F)F)cc1 69633058 CQFLJMWGPQXEIS-SNVBAGLBSA-N 348.371 1.789 0 40 EDAB Cc1ccccc1CC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 47635325 CCZYGQNYYIUUKT-QZTJIDSGSA-N 332.444 1.391 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1ccc(-n2cncn2)cc1 57837884 PWHXPTHPCGRGRD-UHFFFAOYSA-N 333.355 1.283 0 40 EDAB CCOCCN(CC)C(=O)c1c[nH]c(C)c(Br)c1=O 97080756 HTRYXAJFBYNCAP-UHFFFAOYSA-N 331.210 1.944 0 40 EDAB CCn1nccc1C(=O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 583622204 YIEHSQKEAFFHFC-QWHCGFSZSA-N 346.435 1.636 0 40 EDAB O=C(O)C[C@@H]1CN(C(=O)c2cc(F)ccc2Br)CCO1 91292764 ANBJFQDWANLEHZ-SECBINFHSA-N 346.152 1.904 0 40 EDAB O=C1CC2(CN(Cc3ccc4c(c3)OCCO4)C2)ON1CC1CC1 1549161057 DGRNJCOWSJKJLA-UHFFFAOYSA-N 330.384 1.586 0 40 EDAB CCn1nnc2c(N(C)CC(=O)Nc3c(C)cccc3C)ncnc21 1615057232 SVTHFTUOKKBBDA-UHFFFAOYSA-N 339.403 1.933 0 40 EDAB CN(C)c1ncc(C(=O)N2CCn3cc(C(F)(F)F)nc3C2)cn1 12146348 OYUOHNFIFHULKE-UHFFFAOYSA-N 340.309 1.414 0 40 EDAB COc1cccc(CN2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)c1 12182520 GPILHBFRKRARFH-UHFFFAOYSA-N 340.427 1.937 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)on1 12225356 YHDHDNYJHKIWSH-UHFFFAOYSA-N 341.367 1.780 0 40 EDAB CCN(CC(=O)NC(C)(C)C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 14701189 NUISIBGUVFQRLT-UHFFFAOYSA-N 337.420 1.795 0 40 EDAB O=C(NCCCCCCNC(=O)NC1N=NN=N1)NC1N=NN=N1 16136316 FGNKDVHJPPGCBK-UHFFFAOYSA-N 338.336 1.378 0 40 EDAB CC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCC4)[C@H]2C1 19019591 OZLMIRCXUCGQNR-AEFFLSMTSA-N 348.468 1.807 0 40 EDAB COC(=O)[C@]1(C)N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19460532 QBGQCINBSKQEPH-XSUJLISDSA-N 336.775 1.147 0 40 EDAB Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)cc1 2082 QAJQUUOBVOKLOD-UHFFFAOYSA-N 348.380 1.905 0 40 EDAB in-man Cc1ccccc1OCC(=O)N1[C@H]2CC[C@H]1CC(S(C)(=O)=O)C2 101115749 NDKGPGDYPUCNTM-KBPBESRZSA-N 337.441 1.940 0 40 EDAB CN(C)[C@@H](CNC(=O)NC1CCOCC1)c1ccc2c(c1)CCO2 225557761 FSVXHBRWYLWIAF-INIZCTEOSA-N 333.432 1.702 0 40 EDAB CCN(C(=O)/C=C/c1c[nH]c2ccccc12)[C@@H]1COC[C@@H](O)[C@H]1O 643585395 FYDOGVLXNOBNPA-PKEJXYEUSA-N 330.384 1.150 0 40 EDAB Nn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1C1CCCCC1 20860535 KWYRQOLEQOPRHB-LBPRGKRZSA-N 339.465 1.427 0 40 EDAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 1888853191 QOBJUXGRAFLNQG-NSHDSACASA-N 330.392 1.433 0 40 EDAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)Cn2cccn2)C3)nc1 1888870256 QZGFWYSADYQEFF-CRAIPNDOSA-N 341.415 1.689 0 40 EDAB Cc1cc(N2CCN(c3nccc(N4CCCC4)n3)CC2)nc(C)n1 1888899372 PUBMFCMDIATRGV-UHFFFAOYSA-N 339.447 1.810 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2csc3c2CCCC3)CC1 25232947 DQEYOABXFYDWGZ-UHFFFAOYSA-N 335.473 1.567 0 40 EDAB O=C(CN1CCCC1)N1CC[C@H]2[C@@H](COCCN2c2ccccc2)C1 2037984832 PCSYMJYALWNLKU-MJGOQNOKSA-N 343.471 1.836 0 40 EDAB COc1cccc(OCC(=O)NC[C@@]2(OCCO)CCSC2)c1 1565519960 XXDQMNWIXBBXJO-INIZCTEOSA-N 341.429 1.075 0 40 EDAB CCOc1ccc(NC(=O)CN2C(=O)[C@H](C)S[C@@H](C)C2=O)cc1 2710770 GJLQDHVBWSNZEY-QWRGUYRKSA-N 336.413 1.903 0 40 EDAB NC(=O)c1ccccc1NC(=O)CCn1c(=O)oc2ccccc21 3907397 GLHXEHBLJXFQOW-UHFFFAOYSA-N 325.324 1.722 0 40 EDAB O=C(NCC1CC1)c1noc2c1C[C@H](NCC1CCOCC1)CC2 2055745695 VCVARCYPTQQVCY-CQSZACIVSA-N 333.432 1.688 0 40 EDAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(c1ncccn1)C2 2055814255 YVEMCJPGSFOXCB-INIZCTEOSA-N 329.429 1.466 0 40 EDAB Cc1cc(=O)n2nc(N(C)Cc3ccc4c(c3)OCO4)sc2n1 40489708 LMYQCSUNMUTBOT-UHFFFAOYSA-N 330.369 1.825 0 40 EDAB CC(C)CNC(=O)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96101455 GYIZIBDNGMOVQK-SNVBAGLBSA-N 332.326 1.571 0 40 EDAB COCc1nc([C@H]2CC[C@@H](O)[C@H](N(C)C)C2)n(-c2cccnc2)n1 2332241499 ANZBIWBDCPKWKG-NWANDNLSSA-N 331.420 1.367 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@H]1C(=O)NC1CC1 40071638 ASMHDBFADUMUEA-QGZVFWFLSA-N 346.475 1.968 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2cccnc2OC)c1 30305137 QLWXGMLOEDMBMD-UHFFFAOYSA-N 349.412 1.237 0 40 EDAB COc1ccc(CCNC(=O)C(=O)Nc2ccccc2O)cc1OC 40284593 PZTCUZMWKOKLKW-UHFFFAOYSA-N 344.367 1.707 0 40 EDAB O=C(CCn1cncn1)/N=c1\sccn1Cc1ccccc1F 31090259 IGUBNGWCCPKOSY-CYVLTUHYSA-N 331.376 1.846 0 40 EDAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@H](C)Cn1ccnc1 40522657 WNQVCRBPOOWMRH-GFCCVEGCSA-N 331.372 1.678 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)NCCN1CCCCCC1=O 32443941 DZXBRBAZFVWTIL-UHFFFAOYSA-N 328.409 1.815 0 40 EDAB NC(=O)COc1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 22899405 RGSIVRHOPVHRRD-UHFFFAOYSA-N 337.335 1.645 0 40 EDAB Cn1nc(CC(=O)NCCc2ccc(O)cc2)c2ccccc2c1=O 54117307 NBFJKYLWQCCICJ-UHFFFAOYSA-N 337.379 1.541 0 40 EDAB O=C(CN1CCN(c2ncccn2)CC1)N1CCC[C@H]2CCCC[C@@H]21 23700827 GEGFKCCLHGQPLF-SJORKVTESA-N 343.475 1.780 0 40 EDAB CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)N2 96011925 GLPYTIAFBKFKGI-HNNXBMFYSA-N 338.367 1.727 0 40 EDAB C[C@H]1CN(c2ccc(C(=O)O[C@H]3C[C@@H](C)OC3=O)cn2)C[C@@H](C)O1 47861255 RDTMRLNFIPYIJO-NMKXLXIOSA-N 334.372 1.556 0 40 EDAB CCc1nc(CN2CCN(C(=O)c3c[nH]c4ncccc34)CC2)no1 78806088 JBFPUDDHCGPIBA-UHFFFAOYSA-N 340.387 1.466 0 40 EDAB O=c1ccc(-c2nnco2)cn1Cc1nc(Cc2ccccc2)no1 43242688 WJCLTYFNDNPPHO-UHFFFAOYSA-N 335.323 1.920 0 40 EDAB CNC(=O)c1ccc(C)c(NC(=O)c2ccc(-n3cnnn3)cc2)c1 24921952 WEZPIDNONBIRDP-UHFFFAOYSA-N 336.355 1.583 0 40 EDAB CCn1cc(CNC(=O)c2nc(-c3cccc(OC)c3)no2)cn1 2732977 ATDXJIIYZZNVPB-UHFFFAOYSA-N 327.344 1.892 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 25065167 IFLRRRLCCQSELK-UHFFFAOYSA-N 343.383 1.889 0 40 EDAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)C1=CN2CCS(=O)(=O)N=C2C=C1 106639551 AILDGIMTUSROOC-OBJOEFQTSA-N 335.429 1.036 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)N3CCC[C@H]3C3CCCCC3)cnc21 55600025 YAAMASZVWMLJDW-HNNXBMFYSA-N 343.431 1.701 0 40 EDAB C[C@H]1c2ccsc2CCN1C(=O)Cn1nnc2ccccc2c1=O 25381918 BSOITYHHIPBOAW-NSHDSACASA-N 340.408 1.999 0 40 EDAB CCOC(=O)[C@@]1(CC)C(=O)O[C@@H](C(=O)NC2CCCCC2)[C@H]1C 4559540 YGKNEFFMXHQDKE-NDGTYSDOSA-N 325.405 1.956 0 40 EDAB CCc1c(O)[nH]c(SCC(=O)Nc2nc(C)cs2)nc1=O 4861699 ZMURWOYYIHDZDM-UHFFFAOYSA-N 326.403 1.534 0 40 EDAB COc1ccc(OC)c(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)c1 4995261 OZLBKHYOTSVKKO-UHFFFAOYSA-N 344.433 1.385 0 40 EDAB CNS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)O)c1 6681721 MNLLEGBCWWNRKY-UHFFFAOYSA-N 340.382 1.607 0 40 EDAB Cc1csc(=O)n1CC(=O)OCc1cc(=O)n2ccsc2n1 7673395 BCDJKHMTBPPAED-UHFFFAOYSA-N 337.382 1.031 0 40 EDAB O=C(NCCc1ccc2c(c1)OCO2)N[C@@H]1CCN2CCCC[C@H]12 43889813 IMHCQNPUSSTEST-HUUCEWRRSA-N 331.416 1.884 0 40 EDAB COC[C@H](C)NC(=O)[C@H]1CC(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1 95463601 JEXXCNHVXUNEKD-ULFGMLNVSA-N 346.427 1.898 0 40 EDAB COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H](C)NS(C)(=O)=O)C2)cc1 108350803 YCKDYGAVUOHPSO-MBNYWOFBSA-N 340.445 1.337 0 40 EDAB CN(C(=O)CSc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 21515465 FDEGFIOPZSZNDX-CQSZACIVSA-N 339.482 1.913 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 95997986 MLDUGICSKRSPGA-QGZVFWFLSA-N 339.399 1.339 0 40 EDAB CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O)C1CC1 58185436 IHEYSBPJKCCRBA-KRWDZBQOSA-N 333.363 1.604 0 40 EDAB Cc1ccnn1-c1cccc(NC(=O)CCN2C(=O)CCC2=O)c1 58227110 ZQKUHQTVQDMSRJ-UHFFFAOYSA-N 326.356 1.658 0 40 EDAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 44966265 YDSUPGDCBZKMEY-GXSJLCMTSA-N 332.372 1.854 0 40 EDAB Cc1cc(=O)c(C(=O)N2CCOC[C@H]2C)nn1-c1ccccc1F 44912529 HRTKUCGGJZJPRY-GFCCVEGCSA-N 331.347 1.541 0 40 EDAB Cc1cc(C)c(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)c(=O)[nH]1 10393744 UDDLQIFXRYYKOP-UHFFFAOYSA-N 349.412 1.293 0 40 EDAB Cn1cc(C(=O)NCc2ccccc2N2CCOCC2)ccc1=O 58328569 WVOBSLJFSVXIFZ-UHFFFAOYSA-N 327.384 1.152 0 40 EDAB CN(C)CCn1cc(NC(=O)[C@H](c2ccccc2)n2cccn2)cn1 58367575 BDDWVTABPKBHRK-KRWDZBQOSA-N 338.415 1.869 0 40 EDAB CC(C)[C@@H](C(=O)N(C)Cc1ccc(C(N)=O)cc1)N1CCCC1=O 58344028 OQSCKQLNRPXXNT-INIZCTEOSA-N 331.416 1.391 0 40 EDAB NC(=O)[C@@H]1CCCN(CCCNc2nccc(C(F)(F)F)n2)C1 58343975 FCJKJPBCDDLPRB-SNVBAGLBSA-N 331.342 1.495 0 40 EDAB COc1c(CNCCNC(=O)c2ccc(C)c(F)c2)c(C)nn1C 58393379 IHQBKAOAWIXCRB-UHFFFAOYSA-N 334.395 1.704 0 40 EDAB CC(=O)c1c[nH]c(C(=O)NCCCNC(=O)c2cccc(O)c2)c1 58341428 SQPWSGXUMPKAOQ-UHFFFAOYSA-N 329.356 1.473 0 40 EDAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 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0 40 EDAB O=C1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1Cc1cccnc1 108536340 GMHVDLIZKSCDLY-UHFFFAOYSA-N 349.456 1.388 0 40 EDAB O=C(NCCNc1cnccn1)[C@@H]1CC(=O)N(c2ccccc2)C1 47492717 QQEZQMKQDAXQDE-CYBMUJFWSA-N 325.372 1.058 0 40 EDAB O=C(Cc1ccc(Cl)cc1)NN1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 102202597 RJIZTXJEPYRSSO-AUZPSNTRSA-N 334.759 1.076 0 40 EDAB CCOc1ccc(C(=O)N2CCC(NC(=O)NCCOC)CC2)cc1 12685340 DXZDRXRDCUNFBI-UHFFFAOYSA-N 349.431 1.636 0 40 EDAB O=C1O[C@@H]2CC[C@@H]3[C@H]2[C@H]2[C@H]1[C@H]1[C@H]4CC[C@@H]5OC(=O)[C@H]6[C@H]([C@H]54)[C@@H]1[C@@H]2[C@@H]36 104285420 HHHGRVYNFBEVKI-TZULUDTMSA-N 326.392 1.874 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)o1 48253710 ZMBVQWALBLJQRT-UHFFFAOYSA-N 338.341 1.211 0 40 EDAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)c(OC)c1 12733161 KTZRAVBAQLJKHM-URWSZGRFSA-N 348.399 1.798 0 40 EDAB C[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@@H]12 100722251 LTJAGZKGLNGMHB-GGXPGOJBSA-N 340.379 1.356 0 40 EDAB Cc1ccccc1N1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 48303860 ZZLPSSCFODIMCV-UHFFFAOYSA-N 348.406 1.965 0 40 EDAB Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c(=O)[nH]1 12826208 NPLVXVNAKYFMLQ-CYBMUJFWSA-N 343.358 1.873 0 40 EDAB O=C(CSc1nnc2ccccn12)NC(=O)NCc1ccco1 3505524 WIHMTEQJZDCSCN-UHFFFAOYSA-N 331.357 1.440 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)o2)n1 27980380 GEHYNYMMJYYZLX-GFCCVEGCSA-N 337.401 1.058 0 40 EDAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2C(N)=O)c(F)c1 6113595 VURUNHAHUMWLED-UHFFFAOYSA-N 346.314 1.729 0 40 EDAB COc1ccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 13815599 OPBAZVHBNYIGQN-UHFFFAOYSA-N 339.355 1.291 0 40 EDAB COC[C@H](C)N(C)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 65393098 DMAQWKQWTOOMFN-AWEZNQCLSA-N 335.452 1.010 0 40 EDAB CCOCc1ccccc1CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 65434045 DAKRUCVJSOTNKR-OAHLLOKOSA-N 340.445 1.552 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)NCCCn1cncn1 65423859 MQRTVUPJLZWYQC-AWEZNQCLSA-N 345.403 1.540 0 40 EDAB CC(C)(CNC(=O)C(C)(C)Oc1ccc2c(c1)CCCC2=O)C(N)=O 65591340 SGZOEOQIUAGLTJ-UHFFFAOYSA-N 346.427 1.991 0 40 EDAB CCN1CCN([C@H](C)CNC(=O)N2CCc3sccc3C2)CC1 65563911 ULUXOLPIWSUPMH-CQSZACIVSA-N 336.505 1.842 0 40 EDAB CCN(CC)[C@@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccco1 65622385 DQUNMEZOTREWOB-KGLIPLIRSA-N 342.461 1.604 0 40 EDAB CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCN(C(C)=O)CC2)c1C 14112528 LMHZKHRDUCVFQI-UHFFFAOYSA-N 335.404 1.155 0 40 EDAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1nccs1 14136923 FADNLECYSBXWRF-INIZCTEOSA-N 342.380 1.475 0 40 EDAB Cc1ccccc1-n1cnnc1S[C@H](C(=O)NC(N)=O)C(C)C 4510218 DLWWBCHKSVCYMR-LBPRGKRZSA-N 333.417 1.887 0 40 EDAB C/C(=C\C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1F 65891676 LDSKVYFOIAYGNR-VAWYXSNFSA-N 326.393 1.333 0 40 EDAB CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(OC(F)F)c1 66657669 JDVCABXQPLZHTQ-NSHDSACASA-N 330.356 1.891 0 40 EDAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccccc1O 5785458 BWDAIBSRKNFQBK-INIZCTEOSA-N 341.363 1.866 0 40 EDAB Cc1ccsc1C(=O)OCC(=O)NCCN1C(=O)CSC1=O 5967360 XRJLKMZNAMFXKE-UHFFFAOYSA-N 342.398 1.025 0 40 EDAB CC1(C)Cc2cccc(OCC(=O)N3CCCn4ncnc43)c2O1 71839365 QXXICPKNJYHEQT-UHFFFAOYSA-N 328.372 1.807 0 40 EDAB C[C@@H](NC(=O)c1cccs1)C(=O)NCCCCn1ccccc1=O 67627055 DJGLAOUQRHQFHE-CYBMUJFWSA-N 347.440 1.625 0 40 EDAB CN1CCCn2nc(C(=O)N[C@@H](c3nccn3C)C3CC3)cc2C1 67641529 CHDOAZNLYBVJAP-OAHLLOKOSA-N 328.420 1.333 0 40 EDAB C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1 15767125 FUCGAMAQUNINDJ-MRVPVSSYSA-N 342.182 1.721 0 40 EDAB C[C@H](C(=O)Nc1ccn(C)n1)N1CCN(c2ccc(F)cc2)CC1 71897825 VACKNOXAIMHVII-CYBMUJFWSA-N 331.395 1.708 0 40 EDAB CC(C)[C@@H](C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)N1CCCCC1 71896324 DVTKGWWBHDMGPA-CABCVRRESA-N 345.509 1.024 0 40 EDAB CCN(Cc1ccoc1)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 71856710 LRXUNZVKVPLCFF-HNNXBMFYSA-N 336.436 1.399 0 40 EDAB CC(C)c1nc2n(n1)C[C@@H](NCC(=O)Nc1ccnn1C(C)C)CC2 71871812 YHUBXXKHOCTIRA-ZDUSSCGKSA-N 345.451 1.722 0 40 EDAB Nc1nnc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)s1 8293649 NYKXOBUJZTVZOG-NSHDSACASA-N 336.442 1.813 0 40 EDAB COc1cccc2c1OCC(C(=O)N1CCC(CNC(C)=O)CC1)=C2 69382096 CSKYJAQUUMZOAO-UHFFFAOYSA-N 344.411 1.846 0 40 EDAB CCc1noc([C@@H](C)N2CCN(CC(=O)Nc3ccncc3)CC2)n1 69452942 ZWXGEIXOZLWXGE-CYBMUJFWSA-N 344.419 1.344 0 40 EDAB CC(C)[C@@](O)(CN1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 69533010 LXPKKSSPUNYSSB-IRXDYDNUSA-N 340.489 1.544 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)Cn2cncn2)c2cccnc12 69704165 VCUBTBDJVXZFQX-GFCCVEGCSA-N 331.401 1.502 0 40 EDAB COc1cc(/C=C/C(=O)N[C@@H](C(N)=O)C(C)C)cc(Cl)c1OC 69740853 QNAJBRFSBJAQEA-VBROQKIQSA-N 340.807 1.997 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN1Cc1nc(-c2ccoc2)no1 69740327 QGMKFAVVPBUXEA-SNVBAGLBSA-N 344.293 1.973 0 40 EDAB Cc1csc(N2CCN(CC(=O)Nc3nncs3)C[C@@H]2C)n1 69848623 BRDKLTYVIPWEBL-JTQLQIEISA-N 338.462 1.452 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)Cn2c(C3CC3)nc3ccccc32)CC1 69846069 QSIMKBLKNSYPBX-CQSZACIVSA-N 342.443 1.439 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1ccnc(-n3ccnc3)c1)C2 69922047 PFXMFNLAGWZLPG-UHFFFAOYSA-N 337.387 1.638 0 40 EDAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(CC3CC3)C2)C1 69971997 DRHJDMNEWQHXEB-HOTGVXAUSA-N 335.492 1.872 0 40 EDAB COc1ccc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 69976727 XIHPPXPODVZOOR-QGZVFWFLSA-N 341.411 1.582 0 40 EDAB O=C(NCCc1cc(F)ccc1F)NC[C@@H]1CC(=O)N(C2CC2)C1 97058349 AGBSFKKITHYQCK-NSHDSACASA-N 337.370 1.817 0 40 EDAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1ccc(C(=O)OC)cc1 8921934 YQNFTXQZFISCBB-AWEZNQCLSA-N 332.356 1.959 0 40 EDAB O=C(NC[C@]1(O)CCSC1)C1CCN(C(=O)c2ccccc2)CC1 82975073 SQEHXZIBXXAYMP-GOSISDBHSA-N 348.468 1.523 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)c2cccn(C)c2=O)c(C)nn1C 72253210 RZKIFYROWQQQAS-ZDUSSCGKSA-N 330.388 1.413 0 40 EDAB Cn1nccc1CNS(=O)(=O)c1ccc(Br)cc1F 97163109 FRNRISQPYRXRBV-UHFFFAOYSA-N 348.197 1.800 0 40 EDAB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc2c1OCO2 84736374 DTHZCZBPETTZEW-OCCSQVGLSA-N 340.445 1.565 0 40 EDAB Cc1ccccc1CSCC(=O)NCCCN1CCN(C)CC1 22829334 FRQIAEJKKUQCHM-UHFFFAOYSA-N 335.517 1.982 0 40 EDAB CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H](C)c1ccc(F)c(F)c1 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Cc1ncc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)s1 63501371 LGOLCZFIGAYPSC-UHFFFAOYSA-N 336.461 1.222 0 40 EDAB COc1ccccc1N1CCN(CC(=O)Nc2nnc(C)s2)C1=O 49026341 LYEVPDVSXQWABY-UHFFFAOYSA-N 347.400 1.736 0 40 EDAB CN(C)c1cc(C(=O)NC[C@@H]2CCCS2(=O)=O)c2ccccc2n1 576265972 ILTHMGOFQDKODP-LBPRGKRZSA-N 347.440 1.608 0 40 EDAB O=C1NCC[C@H]1N1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)C1 1073412353 NDWFCOHUXIVZGG-MRXNPFEDSA-N 338.411 1.204 0 40 EDAB COc1ccccc1S(=O)(=O)N1CCC[C@H](Oc2cnccn2)C1 225477478 BJCLLTDPFPVIKZ-ZDUSSCGKSA-N 349.412 1.717 0 40 EDAB O=C(c1ncn2c1CO[C@H](c1ccc(Cl)cc1)C2)N1CCNCC1 85397331 HFEXYHFQAMGGMS-HNNXBMFYSA-N 346.818 1.853 0 40 EDAB CC(C)CC(=O)NS(=O)(=O)[C@H]1CS(=O)(=O)c2ccccc21 585086570 RECCBDVYCMHEAE-LBPRGKRZSA-N 331.415 1.007 0 40 EDAB COc1ccc(C(=O)CNC(=O)c2ccccc2-n2cnnn2)cc1 95478000 WKWSJEPQKYHNKN-UHFFFAOYSA-N 337.339 1.284 0 40 EDAB Cc1cc(C)n(CCCNC(=O)N2CCCN(C(=O)C3CC3)CC2)n1 97102867 IHKBJPRNDNRHSB-UHFFFAOYSA-N 347.463 1.544 0 40 EDAB Cc1cccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3c2cnn(C)c2)n1 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ADNKHYIYROLZIO-UHFFFAOYSA-N 331.420 1.856 0 40 EDAB Cn1cc([C@@]2(C)NC(=O)N(CCc3ccc(F)c(F)c3)C2=O)cn1 96496150 PXQWPEDTJUSFSQ-MRXNPFEDSA-N 334.326 1.708 0 40 EDAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1 97096100 MYLNVKXYGMIJAA-AEFFLSMTSA-N 343.471 1.976 0 40 EDAB c1cc(-c2nnn3c2CO[C@H](CNCC2CCOCC2)C3)cs1 96061061 ZOBPKLROSQWRSX-CQSZACIVSA-N 334.445 1.922 0 40 EDAB COC[C@@H]1CC2(CCN(C(=O)N(C)C)CC2)CN1c1ncccn1 96051833 ULCNWTFPCWCVED-AWEZNQCLSA-N 333.436 1.466 0 40 EDAB CCN(CC)CCN1C[C@@H](C(=O)NCc2ccco2)C[C@H]2OCC[C@H]21 96041284 TYKVDJMGVVRXSQ-CGTJXYLNSA-N 349.475 1.717 0 40 EDAB NC(=O)c1cn(CC(=O)N2CC[C@H](n3cccn3)C2)c2ccccc12 581462721 XLQDTKKBACBXKY-ZDUSSCGKSA-N 337.383 1.410 0 40 EDAB O=C(O[C@@H]1CCOC1)N1CCOC[C@H]1c1ncnn1-c1ccccc1 585135235 VYRSUOQOMLVGSS-CABCVRRESA-N 344.371 1.566 0 40 EDAB CN1C(=O)C[C@H](C(=O)Nc2nncs2)[C@@H]1c1ccc2c(c1)OCO2 95477354 MNTRXEBDNMICNH-ZANVPECISA-N 346.368 1.425 0 40 EDAB O=C1CCCN1C[C@@H]1CN(C(=O)NC2CCCC2)Cc2nccn2C1 96188483 FGDICXLDUIJAOK-CQSZACIVSA-N 345.447 1.590 0 40 EDAB CC(=O)NCC(=O)N1[C@H](CNC(=O)OC(C)(C)C)CC[C@@H](C)[C@H]1C 585126283 VDHPLJYXIYGBDZ-BZPMIXESSA-N 341.452 1.663 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc(-c2cccc(O)c2)on1 585121542 RVKJOROGBJUWJI-CQSZACIVSA-N 329.356 1.740 0 40 EDAB CS(=O)(=O)Cc1nc(C(=O)NCC2(c3ccccc3)CC2)co1 585131656 CADSOQOTCPVFPH-UHFFFAOYSA-N 334.397 1.681 0 40 EDAB C[C@@H]1[C@H](C(=O)N[C@@H]2CCNC2=O)CCCN1C(=O)OC(C)(C)C 585112962 PMBGSXRHJIDAKW-IJLUTSLNSA-N 325.409 1.027 0 40 EDAB CCOCC(=O)N1CCC2(CC1)C[C@@H](OCc1ccccn1)CO2 96106929 WCAUYMIVRASTSK-MRXNPFEDSA-N 334.416 1.785 0 40 EDAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)NCCOC)ccc21 96183044 NIFVFVBNQHSJHC-UHFFFAOYSA-N 340.445 1.646 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CCCN(c3ccccn3)C1)C2 97199244 NRRQWXAGMMENON-HZPDHXFCSA-N 339.443 1.934 0 40 EDAB O=C(NCc1cnc2n1CCN(Cc1ccoc1)C2)c1ccno1 96201193 DGTVPPDFQDIRQQ-UHFFFAOYSA-N 327.344 1.410 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@]3(CC[C@H](Cn4cncn4)O3)C2)o1 96160557 GWRPCBRFCALIEP-PBHICJAKSA-N 346.387 1.270 0 40 EDAB Cn1cccc1C(=O)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 96202326 KCESKTUYZINKMD-SFHVURJKSA-N 341.415 1.184 0 40 EDAB Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccn(CC(F)F)n1 96484296 ZZJBKWFZAJVEGA-UHFFFAOYSA-N 337.739 1.580 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)OCC[C@H]2CCOc1ccccn1 248020634 RGXDJDQJVJZTNK-MRXNPFEDSA-N 347.459 1.810 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(Cc3cnc(C)nc3)CC[C@H]21 257205069 AXNDBGAUXMAWAT-DLBZAZTESA-N 332.448 1.634 0 40 EDAB CO[C@H]1CCN(C(=O)Cc2c(C)nc3ccccn23)C[C@@]12CCCO2 257278383 OCARSZLRWBTCIZ-LPHOPBHVSA-N 343.427 1.982 0 40 EDAB COCc1c(C(=O)N2CCO[C@H](CCc3ccncn3)C2)noc1C 257260676 LDWGVXCOKYAXAO-CQSZACIVSA-N 346.387 1.393 0 40 EDAB Cn1nccc1-c1cncc(CC2CCN(S(C)(=O)=O)CC2)n1 257211325 BYMHTAJTTXHNDJ-UHFFFAOYSA-N 335.433 1.091 0 40 EDAB CCn1cc(C(=O)N2CCO[C@@](C)(C(=O)NC)C2)c2ccccc21 257328840 XHIBZCKLMLZXCH-GOSISDBHSA-N 329.400 1.638 0 40 EDAB CN(C)c1cccc([C@@H]2CN(C(=O)Cn3cc(Cl)cn3)CCO2)n1 257261660 LIIAAGCYHCVEJR-AWEZNQCLSA-N 349.822 1.598 0 40 EDAB O=C(N1CC[C@@](O)(CN2CCCC2)C1)C1(c2ccccc2F)CC1 257299103 ROSOOLBKJNOKLW-GOSISDBHSA-N 332.419 1.917 0 40 EDAB CNC(=O)[C@H]1CN(C)CCN(C(=O)Cc2ccc(F)c(Cl)c2)C1 257263851 LRTBQGPHWWUPHI-LBPRGKRZSA-N 341.814 1.158 0 40 EDAB C[C@]12CC[C@@H](CNC(=O)CN)[C@H](O)[C@](C)(C[C@@H](c3ccccc3)C1)O2 257237406 HGIFCZCOXKLQHD-LPBINRMYSA-N 346.471 1.944 0 40 EDAB CN(CC(=O)N1CCC[C@@H](Cc2ccn[nH]2)C1)Cc1cccnc1 257262014 LJRCHXCCOUMVED-HNNXBMFYSA-N 327.432 1.718 0 40 EDAB O=S(=O)(N[C@H]1CCn2nccc2C1)c1cccc2nsnc12 253471639 DWBMVKSGCICMHY-VIFPVBQESA-N 335.414 1.181 0 40 EDAB CCOc1ncccc1C(=O)N1CCO[C@H](c2nc(C)cn2C)C1 257251232 JPZBBNDWFFBXTG-AWEZNQCLSA-N 330.388 1.736 0 40 EDAB O=C(N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O)c1ccc2ccccc2n1 257256485 KLRNQGJOZBMRSV-KBAYOESNSA-N 341.411 1.189 0 40 EDAB O=C([C@H]1CC[C@H]1c1ccc(F)cc1)N1CC(C2CS(=O)(=O)C2)C1 530265641 ADZHGFTXWBHRML-HOTGVXAUSA-N 337.416 1.822 0 40 EDAB Cc1nc2n(n1)CCN([C@H]1CCCN(c3cccc(F)c3)C1=O)C2 267410339 SWVXXCYRCBDXDF-HNNXBMFYSA-N 329.379 1.737 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@@H]3COc4ccccc4O3)CCO2)n1 266112533 NDUIVQSBPWPFPQ-KGLIPLIRSA-N 344.371 1.107 0 40 EDAB CC(=O)c1ccc(N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)nc1 285060322 OQJZKMNSLKRNFI-HNNXBMFYSA-N 349.431 1.373 0 40 EDAB CCOC(=O)[C@@H](O)[C@@H](C)NC(=O)CCc1cccc(OC(F)F)c1 1615586183 KFDNSFMAYPBMOT-YGRLFVJLSA-N 345.342 1.649 0 40 EDAB COCCOc1ccc(CC(=O)N2CC(=O)Nc3cnccc32)cc1 390835542 QDNQYRXHRWGWLE-UHFFFAOYSA-N 341.367 1.635 0 40 EDAB CN1N=C(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)CCC1=O 27347775 LHSBIQSTZSZJKS-AWEZNQCLSA-N 336.823 1.667 0 40 EDAB COc1ccnc(N2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1 685269319 AKPKRTSHBHBPFU-UHFFFAOYSA-N 328.420 1.899 0 40 EDAB O=S(=O)(CCc1ccccc1)NCC/N=C(\O)c1ncccc1O 69596754 QOSKKVJDESALHP-UHFFFAOYSA-N 349.412 1.254 0 40 EDAB Cn1cnc2c(N3C[C@H]4CN(C(=O)CC5CC5)C[C@H]4C3)ncnc21 1065952742 UJDJYDLPOOJHPL-BETUJISGSA-N 326.404 1.058 0 40 EDAB CC(=O)Nc1nc(C(=O)NCCCOC[C@@H]2CCCO2)cs1 48304380 ADIFLKPPVUJABB-NSHDSACASA-N 327.406 1.417 0 40 EDAB CN(C)CC(=O)Nc1cccc(CNC(=O)OCC(F)(F)F)c1 56326196 LSNJHXXOBRWBKY-UHFFFAOYSA-N 333.310 1.975 0 40 EDAB CN(CC(N)=O)C(=O)CCCOc1ccccc1Br 61572776 QDESIJZXLYEYEI-UHFFFAOYSA-N 329.194 1.552 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@@H]3CCN(c4ccccc4F)C3=O)CCO2)n1 76048614 BVKXDJOCFGIKFF-CABCVRRESA-N 345.378 1.431 0 40 EDAB COCCN1CCC[C@H](NC(=O)C(=O)Nc2cc(C)cc(C)c2)C1 78602838 NRUMIQHBNNNPFI-HNNXBMFYSA-N 333.432 1.469 0 40 EDAB Cc1ccccc1CCNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 103294046 RJAOJOGEFWRJNT-IYBDPMFKSA-N 328.412 1.829 0 40 EDAB Cc1nc(CN2CCC[C@@H](N[C@@H](C(N)=O)c3ccccc3)C2)no1 106868451 AXJRYYSHGHEPDF-GDBMZVCRSA-N 329.404 1.159 0 40 EDAB CC(C)CNC(=O)CNC(=O)c1ccc(Br)c(O)c1 95449202 QKZJKJZWOBAVCQ-UHFFFAOYSA-N 329.194 1.657 0 40 EDAB NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 11175127 QVZPBOOAKSPPLH-UHFFFAOYSA-N 333.325 1.021 0 40 EDAB COCC(=O)Nc1ccc2c(c1)N(Cc1c(C)noc1C)C(=O)CO2 16696067 OLVLSWNBUFABGF-UHFFFAOYSA-N 345.355 1.802 0 40 EDAB CCC(=O)NCCn1nc([C@@H]2CCN(C(C)=O)C2)c2cccnc21 19499295 OLMLRHFJBKPGLQ-CYBMUJFWSA-N 329.404 1.293 0 40 EDAB Cc1nnsc1C(=O)N1CCO[C@H](C(=O)Nc2ccccc2)C1 19747634 PGWHEWHHJTYLHS-LBPRGKRZSA-N 332.385 1.326 0 40 EDAB COCCN1C(=O)S/C(=C/c2ccccc2OCC(N)=O)C1=O 8104529 FMNQSDXXZDBVNS-XYOKQWHBSA-N 336.369 1.233 0 40 EDAB CC(C)CC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23231280 BGZLIFZZBLRKGI-UHFFFAOYSA-N 328.420 1.353 0 40 EDAB CC(=O)N1c2ccc(S(=O)(=O)[C@H](C)CC(=O)O)cc2C[C@H]1C 32917661 MHPUYGBLBLYFIU-NXEZZACHSA-N 325.386 1.621 0 40 EDAB Cc1nc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)c2ccncc2n1 1888859233 BNKSYJFHQRPQIV-CQSZACIVSA-N 341.415 1.408 0 40 EDAB O=C(c1ccc2nn[nH]c2c1)N1C[C@H]2CN(c3nccs3)C[C@@H]2C1 1888910359 OGNONEGPGCGUAS-RYUDHWBXSA-N 340.412 1.623 0 40 EDAB Cc1nn(C)c(Cl)c1C(=O)NCc1ccnc(N2CCOCC2)c1 25759472 LFUDVPUZWHDQTA-UHFFFAOYSA-N 349.822 1.544 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)C2(F)CC2)C1 1614935844 XTKIWLYRBVRCCB-BPLDGKMQSA-N 347.390 1.206 0 40 EDAB Cn1cc2c(n1)[C@H](COc1cccnc1)CN(C(=O)C1CC(O)C1)C2 1614945441 IOMHHDROAKUKPP-BLZCZZARSA-N 342.399 1.091 0 40 EDAB COCCN1CC2(CCN(C(=O)CCc3ccc[nH]3)CC2)CC1=O 1565544898 AEOVRKSQBWURFB-UHFFFAOYSA-N 333.432 1.435 0 40 EDAB COc1cccc(CN2C[C@H]3OC[C@H](C(=O)N4CCCC4)[C@H]3C2)c1 2055708261 YQEMEJNTTKNOHY-FGTMMUONSA-N 330.428 1.764 0 40 EDAB O=C(N[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1)C1CCCCC1 2055731741 QUNMKACMDZKEMM-LSDHHAIUSA-N 347.459 1.795 0 40 EDAB COCCNC(=O)[C@H]1CCc2c(C(=O)NC3CCCCC3)ncn2C1 2055714827 SRHCWSMVYLWAGW-ZDUSSCGKSA-N 348.447 1.271 0 40 EDAB CCn1nnc2c1CCN(C(=O)c1cc[nH]n1)[C@@H]2COCC1CC1 2055772680 OHQCBOYPEAYLQA-CQSZACIVSA-N 330.392 1.187 0 40 EDAB CCc1nc2sc([C@@H](c3ccco3)N3CCN(C)CC3)c(O)n2n1 22577976 PRGSQOFGXTWIRQ-CYBMUJFWSA-N 347.444 1.989 0 40 EDAB CCOc1ccc(-c2nnc3ccc(SCC(N)=O)nn23)cc1 4165053 VYRPFXKTFBCVME-UHFFFAOYSA-N 329.385 1.767 0 40 EDAB COc1ccc(C(=O)Nc2nc3[nH]c(C)c(Cl)c(=O)n3n2)cc1 100650748 XTSDDQGXNDVNQS-UHFFFAOYSA-N 333.735 1.640 0 40 EDAB COCCOc1ccccc1CNC(=O)N1CCC(C(N)=O)CC1 50128416 YXSFFDGIQFGJAC-UHFFFAOYSA-N 335.404 1.119 0 40 EDAB O=C1CC[C@@]2(C(=O)Nc3nccs3)N=C(O)c3ccccc3N12 40268424 PHKYSUBFBVIGSD-OAHLLOKOSA-N 328.353 1.923 0 40 EDAB CC(C)C[C@H](C(=O)N1CCN(C)CC1)N1Cc2ccccc2C1=O 20366782 UPVFUEDFZBAIHA-QGZVFWFLSA-N 329.444 1.831 0 40 EDAB Cc1noc(CS(=O)(=O)[C@H](C(=O)N2CCCC2)c2ccccc2)n1 40541437 DLYJURCCAAXOQJ-HNNXBMFYSA-N 349.412 1.657 0 40 EDAB COc1ccc(Nc2nc(NCCO)c3nccnc3n2)c(OC)c1 32091559 ZVOUGYAIOYMDQJ-UHFFFAOYSA-N 342.359 1.585 0 40 EDAB O=C(NC1CCCCC1)C1CCN(c2ccc3nncn3n2)CC1 20725331 XMIOKXLBSHNJGM-UHFFFAOYSA-N 328.420 1.790 0 40 EDAB CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(C)nc2)CC1 32925069 VELARUKXSXEYOZ-UHFFFAOYSA-N 325.434 1.324 0 40 EDAB O=C(NCc1ccccc1Cn1cncn1)[C@H]1Cc2ccccc2O1 33106051 AGMFMIVPZIQMEL-GOSISDBHSA-N 334.379 1.946 0 40 EDAB CCc1ccc(OCC(=O)OCC(=O)NC(=O)c2ccco2)cc1 21976908 ACMITULPJCSJBM-UHFFFAOYSA-N 331.324 1.721 0 40 EDAB O=C(Nc1ccccn1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24567824 FKLSNQSPXBOTLK-LLVKDONJSA-N 325.324 1.802 0 40 EDAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCC(C(N)=O)CC1 24775868 RGGOBCFTNGQJMM-CYBMUJFWSA-N 337.445 1.226 0 40 EDAB CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)CCn2cccn2)C1 78113382 NRZPLHQNXTWUAX-HNNXBMFYSA-N 335.452 1.419 0 40 EDAB Cc1nc(CN(C)[C@H]2CCN(CC(=O)N(C)Cc3ccco3)C2)no1 78891196 QIBIMBAMXVXAJT-AWEZNQCLSA-N 347.419 1.136 0 40 EDAB COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc[nH]2)o1 79092246 JDFJLRCQVCRJMG-JTQLQIEISA-N 339.373 1.705 0 40 EDAB Cc1nn(CCC(=O)NCc2cn(C)nc2C)cc1Br 2805113 FYGUATVMFORYMJ-UHFFFAOYSA-N 340.225 1.702 0 40 EDAB CC(C)[C@@H](c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1 4874150 JTBBTFZTBGTMMH-AWEZNQCLSA-N 332.408 1.209 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1C 6425253 NQZRQLHOFRZSPA-NSHDSACASA-N 328.434 1.585 0 40 EDAB COc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 7939465 RWWAYVKKBKKEKS-PIVDIINCSA-N 330.336 1.619 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc(F)cc2)C1 57318834 IGYATTWIFUZYOT-UKRRQHHQSA-N 336.407 1.758 0 40 EDAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCc1ccccc1 8201324 BXBHIVKSHGYCKM-UHFFFAOYSA-N 343.408 1.432 0 40 EDAB COC[C@@H](C)NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 8558778 GIJXTOFEKSGBFI-CQSZACIVSA-N 342.461 1.692 0 40 EDAB O=C(NCCCn1nc2ccccn2c1=O)Nc1ccc(F)cc1F 58064136 GZYJQSAIFWPOEQ-UHFFFAOYSA-N 347.325 1.986 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2)C1=O 108038150 BDBYNMFPXSQPGX-XNTDXEJSSA-N 339.351 1.851 0 40 EDAB CC(=O)Nc1nc(C(=O)NCCC(=O)Nc2cccc(C)n2)cs1 58283130 IESVYKABSRLBAF-UHFFFAOYSA-N 347.400 1.564 0 40 EDAB C[C@H]1c2cccn2CCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 58250948 ODDUNSSFRDSNHI-NWDGAFQWSA-N 328.459 1.312 0 40 EDAB Cn1cccc1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2F)C1=O 44944340 TTWDKWATZDUZAY-QGZVFWFLSA-N 347.321 1.953 0 40 EDAB CC[C@@H](C)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 44966188 NAUFCUHWXGGPSW-GFCCVEGCSA-N 335.429 1.326 0 40 EDAB O=C(NCc1ccc(-n2cccn2)nc1)c1cc2c(cc1O)OCO2 44974363 PWUYFMVTJDPJQS-UHFFFAOYSA-N 338.323 1.632 0 40 EDAB COCc1[nH]c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2c(=O)c1Cl 9926399 WYBXWLJNAWREIU-UHFFFAOYSA-N 335.751 1.214 0 40 EDAB CC(C)Oc1ccc(C(=O)NCCC(=O)NCCCC(=O)O)cc1 2116233 CMXNBCFNHOTVCN-UHFFFAOYSA-N 336.388 1.575 0 40 EDAB biogenic OCCn1nccc1C1CCN(C[C@H](O)c2ccccc2F)CC1 58290049 OBJURKOGTXAKPD-SFHVURJKSA-N 333.407 1.928 0 40 EDAB CC(C)CNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 58393792 IOSWMDLKKIRQFG-UHFFFAOYSA-N 348.515 1.871 0 40 EDAB O=C(NCCCn1cncn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58342695 YGVQHVIAJDLEJS-MRXNPFEDSA-N 345.422 1.836 0 40 EDAB O=C(CNc1ccc(-n2cnnn2)cc1)NCCc1cccs1 58326702 RCSMSFGDFNEUBE-UHFFFAOYSA-N 328.401 1.495 0 40 EDAB COc1ccccc1OCCNS(=O)(=O)c1ncn(C)c1Cl 27974296 HEJCRSFKZQQBRO-UHFFFAOYSA-N 345.808 1.439 0 40 EDAB CN(CC(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1)c1ncnc2[nH]cnc12 58428595 FVVIBRSNOBFGPC-OLZOCXBDSA-N 340.362 1.601 0 40 EDAB C[C@H]1CN(CCNC(=O)c2cccc(-n3cccn3)c2)C[C@H](C)O1 95397995 VGSBTCYGWYZPTK-GJZGRUSLSA-N 328.416 1.711 0 40 EDAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccc(N2CCOCC2)nc1 36390371 HFWJRJNXNNAXTG-JKSUJKDBSA-N 330.432 1.275 0 40 EDAB COc1ccnc(N2CCCN(C(=O)c3sccc3OC)CC2)n1 95381539 ATDHXBBBOTWUMR-UHFFFAOYSA-N 348.428 1.908 0 40 EDAB CN(C)CCCN1CC2=C(C1=O)[C@H](c1cccc(F)c1)NC(=O)N2C 57531500 ZLNBLQIIHQGYPS-INIZCTEOSA-N 346.406 1.570 0 40 EDAB CCN(CC)CCNC(=O)[C@]1(C)Sc2ccccc2N(C)C1=O 57279913 CXYJWORTXBAWFA-KRWDZBQOSA-N 335.473 1.972 0 40 EDAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 29986395 RSPURIJJXSSMBR-SNVBAGLBSA-N 341.433 1.547 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(N)cc(N)n1 2664058 ZMPOAVFQSXUDDV-UHFFFAOYSA-N 349.416 1.738 0 40 EDAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC[C@@H]1CCCO1 3273418 OUHLAVAALYXEIY-VIFPVBQESA-N 342.779 1.383 0 40 EDAB C[C@@H](NC(=O)CNC(=O)c1ccsc1)[C@H](O)c1ccc(F)cc1 95992398 FSJBMTRGOUCWGZ-BMIGLBTASA-N 336.388 1.855 0 40 EDAB CNC(=O)C1CCN(CC(=O)N2CCSc3ccccc32)CC1 12334415 WZEMOMIZFGQFCX-UHFFFAOYSA-N 333.457 1.583 0 40 EDAB C[C@H]1CN(C(=O)COC(=O)c2ccc(Cl)c(N)c2)C[C@H](C)O1 3261167 KGBJKYMLCWOPIF-UWVGGRQHSA-N 326.780 1.715 0 40 EDAB O=C(NCCCOC[C@H]1CCCO1)Nc1ccc(-n2cncn2)nc1 48133410 KZPVGZHYSRHVPM-CQSZACIVSA-N 346.391 1.370 0 40 EDAB Cn1cc(CN2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)cn1 107206456 LUYJVOSCPYODNM-QYZOEREBSA-N 349.475 1.985 0 40 EDAB CC(C)Oc1ccc(CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)cn1 48248874 ZFLRNCSCXQFPSY-ZDUSSCGKSA-N 341.433 1.103 0 40 EDAB O=C(c1ccccc1)N1CCN(Cn2nnc(-c3ccccc3)n2)CC1 12745948 SWHFGRXNPLRVPG-UHFFFAOYSA-N 348.410 1.756 0 40 EDAB Cc1cccc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)c1C 10111402 SHOHQFUFHDZDFZ-UHFFFAOYSA-N 341.477 1.137 0 40 EDAB COCCCN1CC2=C(C1=O)[C@@H](c1ccc(SC)cc1)NC(=O)N2 12879393 UNHUAWAOQNDUNA-OAHLLOKOSA-N 347.440 1.895 0 40 EDAB CN1CCN(S(=O)(=O)c2ccccc2CNc2cnccn2)CC1 116872575 XIUSXDFDZDXOIC-UHFFFAOYSA-N 347.444 1.025 0 40 EDAB CCS(=O)(=O)N(C)CCCNC(=O)COc1cccc(Cl)c1 48963257 MZKDQQKSUJENKM-UHFFFAOYSA-N 348.852 1.507 0 40 EDAB Cc1cc(Br)cnc1NC(=O)[C@@H]1CCS(=O)(=O)C1 95427998 MXGGDZHWKBYOFX-MRVPVSSYSA-N 333.207 1.526 0 40 EDAB CN(C)CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 4129043 YPBYRVZKNNRUJF-UHFFFAOYSA-N 333.413 1.636 0 40 EDAB CCCn1ncc(C(=O)OCC)c1NC(=O)N[C@@H](C)Cn1cncn1 95460730 JKVYUHATJOLAMG-NSHDSACASA-N 349.395 1.272 0 40 EDAB O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCS(=O)(=O)C1 13731707 XIADUPZRLBGHPL-GFCCVEGCSA-N 336.438 1.656 0 40 EDAB Cc1sc2ncn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c(=O)c2c1C 6110841 BJQWQNDUYSJLTF-NXEZZACHSA-N 335.429 1.711 0 40 EDAB Cc1ccc(C)c(N(CC(=O)NC(C)(C)C)S(=O)(=O)N(C)C)c1 20244538 CABQHRFONHUNNK-UHFFFAOYSA-N 341.477 1.831 0 40 EDAB CCCc1nc(C)c(C(=O)NCCN2C(=O)CSC2=O)s1 65404009 VGBJLWGDMIWOTG-UHFFFAOYSA-N 327.431 1.829 0 40 EDAB C[C@H](CNC(=O)NCc1ccccc1Cn1cncn1)N1CCCC1 65565526 ZRGKPVNLWRHBOM-OAHLLOKOSA-N 342.447 1.610 0 40 EDAB COCCN1CC[C@@H](CNC(=O)C2(c3ccccc3)CCOCC2)C1 65517110 RXSODWWWTQHASH-KRWDZBQOSA-N 346.471 1.819 0 40 EDAB Cc1cc2nc(N3CCC(S(N)(=O)=O)CC3)c3ccccc3n2n1 65590460 KCSYXRDEBMHSBM-UHFFFAOYSA-N 345.428 1.448 0 40 EDAB O=C(O)c1ccc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)cc1 65568837 NEEXYDHSCYSGTL-ZDUSSCGKSA-N 343.401 1.249 0 40 EDAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1 65592454 LCSASXGPYRCLIT-CJNGLKHVSA-N 334.416 1.589 0 40 EDAB CCCCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCOC3)cc2C1=O 65547684 RTAJIZMZIBVUSA-CYBMUJFWSA-N 330.384 1.992 0 40 EDAB Cn1ccnc1[C@@](O)(CCNC(=O)Cc1ccccc1)C(F)(F)F 65563065 WYHCCZPZNDODAK-HNNXBMFYSA-N 341.333 1.919 0 40 EDAB CCn1c(Cc2ccccc2)nnc1SCCC(=O)NC(N)=O 14135766 RIYRRIQTZGTLNP-UHFFFAOYSA-N 333.417 1.566 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 6822650 OVHJEBUHCGHBLA-GFCCVEGCSA-N 345.424 1.917 0 40 EDAB Cc1nc2cc(C(=O)NC3CC3)ccc2n1[C@@H]1CCS(=O)(=O)C1 81223610 SFDVCCGTQFQNLB-CYBMUJFWSA-N 333.413 1.597 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)N2CCCn3ncnc32)C1=O 71826669 JAYBQYRDMXKTGE-GFCCVEGCSA-N 341.371 1.219 0 40 EDAB COc1ccccc1CCNC(=O)CN1C(=O)C2(CCCC2)N=C1O 7987533 YWEUMHYHALDLGZ-UHFFFAOYSA-N 345.399 1.423 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1cnn(-c3ccccc3)n1)C2 71864879 SZKLBVWDEHEOLW-UHFFFAOYSA-N 337.387 1.638 0 40 EDAB COc1ccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)cn1 71886796 PKJBHNKIBVBQQQ-OAHLLOKOSA-N 346.431 1.506 0 40 EDAB COCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1cccc2c1OCCCO2 69492234 UWTRZYUPPWOOCK-XJKSGUPXSA-N 349.383 1.859 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1c(C)nn3c(C)cc(C)nc13)C2 69461758 YCHMMLKPMXZIMY-UHFFFAOYSA-N 339.403 1.464 0 40 EDAB COc1cc(C(=O)NC[C@H](C)CN2CCOCC2)cc(OC)c1C 71915562 IUQWTIPJCIPTRY-ZDUSSCGKSA-N 336.432 1.710 0 40 EDAB COC(=O)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)N(C)C)C1)CC(C)C 71922058 LSOKKBXBPHHHCC-UONOGXRCSA-N 341.452 1.332 0 40 EDAB NC(=O)[C@H]1CCCN1C(=O)NC(=O)CSc1ccc(Cl)cc1 71916356 YMEIXQIILVGBBK-LLVKDONJSA-N 341.820 1.618 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1 69657375 LWNWCZHCDBLROX-UHFFFAOYSA-N 326.761 1.945 0 40 EDAB CCn1c(CSc2nnc(C)n2CC(N)=O)nc2c(F)cccc21 69623400 BCLVAWWCEQCRJR-UHFFFAOYSA-N 348.407 1.873 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@@H]1COc3cc(OC)ccc3C1)C2 69653151 VVBDXKQTXLRURD-ZDUSSCGKSA-N 342.399 1.443 0 40 EDAB CCN1CCN(C2CCN(Cc3nnsc3Cl)CC2)C1=O 69708814 KJNKPDYBTNKOMS-UHFFFAOYSA-N 329.857 1.913 0 40 EDAB CNS(=O)(=O)[C@H]1CCN(Cc2ccc(Oc3cnccn3)cc2)C1 92068517 HXYWUPPMNQPRBJ-HNNXBMFYSA-N 348.428 1.392 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)O)C2)cc1Cl 92182063 GKCSYMXKCVTLRF-DTWKUNHWSA-N 331.777 1.656 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccc(F)cc2Br)CC1 69902264 YQZWTCOLJUXEBK-SNVBAGLBSA-N 345.212 1.727 0 40 EDAB COc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(CC(C)(C)O)CC1 69951880 HUARQUJJYNKPAN-CVEARBPZSA-N 332.444 1.714 0 40 EDAB CCc1nc2ccccc2n1CC(=O)N1CCN(C(=O)C2CC2)CC1 8707886 ZABTVJACEVZYOR-UHFFFAOYSA-N 340.427 1.680 0 40 EDAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccon2)C1=O 8727838 LEBLKTIIEUZVMU-MRXNPFEDSA-N 328.328 1.470 0 40 EDAB Cc1cc(C)nc(-n2cc(C(=O)N3CC[C@H](N)C3)c(C(C)C)n2)n1 97019995 SYWCISOBNNKGAX-ZDUSSCGKSA-N 328.420 1.576 0 40 EDAB NC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 97015663 QNWVFPMXMFLTGZ-CQSZACIVSA-N 347.396 1.023 0 40 EDAB Cc1cnn([C@H](C)[C@H](C)NCC(=O)N2CC(=O)Nc3ccccc32)c1 72269820 CEQARNLLMYQZND-UONOGXRCSA-N 341.415 1.716 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)CCS(=O)(=O)CC(C)C)no1 72298979 RVEJNJIWWYQHBF-LBPRGKRZSA-N 329.422 1.502 0 40 EDAB O=C(CCc1ccc(F)c(F)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269616 DDDYENDPVADSTP-SJORKVTESA-N 338.398 1.955 0 40 EDAB NC(=O)[C@@H](NC(=O)[C@@H]1OCCc2ccccc21)c1ccc(F)cc1 97147001 RKPRCLSYUYCBCQ-JKSUJKDBSA-N 328.343 1.782 0 40 EDAB C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCn2ccnc2C1 97201182 VVJNLBGHNHKREO-ZFWWWQNUSA-N 326.400 1.727 0 40 EDAB CS(=O)(=O)N1CCC(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 95987857 ODFPQIUPVFUEQW-OAGGEKHMSA-N 342.505 1.595 0 40 EDAB COc1cccc(-n2nnc(C(=O)N3CCN(C)C[C@@H]3C)c2C)c1 89556325 XMFHRQPZBZYYRJ-LBPRGKRZSA-N 329.404 1.360 0 40 EDAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c(=O)[nH]1 75118507 WVLMPBCRJUVCMA-UHFFFAOYSA-N 329.375 1.780 0 40 EDAB O=C1NC[C@@H](C(=O)NCc2ccc(OCc3ccccc3)cc2)N1 89836772 KNWJLENFWQJXNL-INIZCTEOSA-N 325.368 1.563 0 40 EDAB Cc1noc(Cl)c1CC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 77140241 MKTKWTPBBFZRGN-UWVGGRQHSA-N 334.825 1.651 0 40 EDAB CN(C)C(=O)Sc1ccc(NS(=O)(=O)c2cnn(C)c2)cc1 65519219 XGEKPISXQDEFBH-UHFFFAOYSA-N 340.430 1.995 0 40 EDAB C[C@@]1(c2ccco2)NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O 24835136 VPLSVJVFERTNDN-KRWDZBQOSA-N 338.323 1.255 0 40 EDAB Cc1cc(CN2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)no1 306132272 LDIILJNDQIPSSR-AWEZNQCLSA-N 339.403 1.714 0 40 EDAB CCn1c([C@H]2CCCN(C(=O)c3ccc(CN)cc3)C2)nn(C)c1=O 67973852 JWSWOZKVMAUNOM-HNNXBMFYSA-N 343.431 1.080 0 40 EDAB COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn32)c1 31813179 XKVXUOUKOOXYJF-LLVKDONJSA-N 331.332 1.126 0 40 EDAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC(C)C)cc1 409207407 UJVJQTGCHCAJHB-UHFFFAOYSA-N 328.434 1.524 0 40 EDAB Cc1ccc(S(=O)(=O)[N@]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 1857776753 KJCKSELTFQRCSN-UOIKSKOESA-N 338.429 1.987 0 40 EDAB COc1ccc([C@@H](NS(=O)(=O)CC2CC(F)(F)C2)C(=O)O)cc1 517736181 IOFZJNZXWMWQES-GFCCVEGCSA-N 349.355 1.786 0 40 EDAB COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccccc2C)C1=O 408548698 LJNNJBSPIMQQBB-GXDHUFHOSA-N 339.351 1.851 0 40 EDAB C[C@H](C(=O)O)N(Cc1cccnc1)S(=O)(=O)c1ccsc1 551998787 WUMSHAVYPXNFBW-SNVBAGLBSA-N 326.399 1.807 0 40 EDAB COC(=O)Cn1cc(/C=C2\NC(=S)N(C)C2=O)c2ccccc21 39556633 TZEXQEKNXXYISC-GHXNOFRVSA-N 329.381 1.502 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1N1CCN(C)CC1 78440242 GMMWJTFJQZXZLP-SFHVURJKSA-N 344.459 1.066 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)Cn2ccc3cc(OC)ccc32)CC1 70004911 VDDVOENAKHBJEI-MRXNPFEDSA-N 345.443 1.565 0 40 EDAB O=C(C1CCC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 76644307 ZWMOKWHWDYGDKU-UHFFFAOYSA-N 326.404 1.107 0 40 EDAB C[C@@H]1CS(=O)(=O)CCN1Cc1nc(CCc2ccccc2)no1 75765472 INJFLYIFPBXNPO-CYBMUJFWSA-N 335.429 1.474 0 40 EDAB COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(Br)c(C)c1 187567090 DLDDJYHBCBOFON-DGCLKSJQSA-N 328.206 1.866 0 40 EDAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc2c(cc1C)OCO2)C(=O)O 566559505 HFMRQFCUEWBWLO-AMIZOPFISA-N 329.374 1.501 0 40 EDAB Cn1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 75031832 SMJOOJFYCMNZPO-UHFFFAOYSA-N 347.440 1.313 0 40 EDAB C[C@H](CNS(=O)(=O)c1ccc(C(=O)O)cc1Cl)N(C)C1CC1 184995195 NMIBHGHERYBVBW-SECBINFHSA-N 346.836 1.799 0 40 EDAB CCN(CCNC(=O)NC[C@@H]1CN(C)CCN1C)c1ccccc1C 78925033 AMCRSDNHKCDUDA-QGZVFWFLSA-N 347.507 1.366 0 40 EDAB COC(=O)c1ccc(C(=O)NCc2nc(-c3cc(C)on3)no2)cc1 225811853 CEHQUHKMUATYTG-UHFFFAOYSA-N 342.311 1.750 0 40 EDAB O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1ccc[nH]c1=O 225808431 OTUKCEWUHIRGPZ-UHFFFAOYSA-N 337.261 1.366 0 40 EDAB COc1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 45866049 NHTSBWPTKYDJQQ-UHFFFAOYSA-N 341.410 1.900 0 40 EDAB CC(C)c1nnc(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)s1 530160277 IUYPUVVATUYZBE-NSHDSACASA-N 333.417 1.513 0 40 EDAB C[S@@](=O)c1ccc(CNC(=O)N[C@H]2CCN(CC3CC3)C2)cc1 80146239 WCPBKAHCROZZRE-WNSKOXEYSA-N 335.473 1.708 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)c1)[C@@H]1CCc2[nH]cnc2C1 225512567 UEZDMMWBORTTRL-CQSZACIVSA-N 341.415 1.063 0 40 EDAB CC1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccnc3)[C@H]2O)CC1 514288673 KFLUNPRVHBFXCE-HRCADAONSA-N 334.420 1.063 0 40 EDAB biogenic,in-vitro O=S(=O)(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1cccnc1 88785120 PRJWWKZKCCYCPO-LLVKDONJSA-N 339.367 1.917 0 40 EDAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOC 223574039 JLUJZUJOQPRFAC-CQSZACIVSA-N 344.433 1.002 0 40 EDAB CCOC[C@@H]1CCC[C@]12CN(S(=O)(=O)c1cn(C)cn1)CCO2 96160874 SHZQPPVQCRMSQV-ZFWWWQNUSA-N 343.449 1.016 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CCCN(c3ccccn3)C1)C2 97199243 NRRQWXAGMMENON-CVEARBPZSA-N 339.443 1.934 0 40 EDAB O=C(c1cc[nH]n1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 96078106 DMYJUIOMNFPRPW-HNNXBMFYSA-N 348.357 1.578 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)[C@@H](C)OCc2ccccc2)CC1 96426677 OQEUIAROTJBGDF-UXLLHSPISA-N 330.428 1.919 0 40 EDAB CC(=O)N1CCN(Cc2ccc(NC(=O)Cc3ccn[nH]3)cc2)CC1 96495263 IWPVBHKOOJDIOX-UHFFFAOYSA-N 341.415 1.255 0 40 EDAB Cc1ccccc1CN1C[C@@H]2COC[C@H](C(=O)N3CCOCC3)[C@@H]2C1 96065225 NNUYWPWFXDCXBH-QRVBRYPASA-N 344.455 1.548 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCC[C@H](Cn2cncn2)C1 96496864 YZYFQSSEMZPPDG-CQSZACIVSA-N 346.456 1.868 0 40 EDAB c1cnc(NCc2ncn3c2CN(C2CCOCC2)CCC3)nc1 96084661 WMJVULGLOZKTGZ-UHFFFAOYSA-N 328.420 1.670 0 40 EDAB O=C(NCCN1CCCC1)[C@H]1C[C@H]2[C@H](CCN2Cc2ccncc2)O1 96183701 AHUOGECZEIGNOD-OKZBNKHCSA-N 344.459 1.025 0 40 EDAB Cc1ccccc1OCCNC(=O)N1CCN(Cc2ccon2)CC1 96439360 RGWCLODAAFLXIN-UHFFFAOYSA-N 344.415 1.889 0 40 EDAB O=C(NC[C@]12COC[C@H]1CN(Cc1nccs1)C2)c1ccco1 96108447 SVLPGFYARKORNC-WBMJQRKESA-N 333.413 1.615 0 40 EDAB CC(=O)c1cn(CC(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)nn1 331746068 ICWFEYVWHZKPFF-CYBMUJFWSA-N 347.444 1.960 0 40 EDAB Cn1nccc1C(=O)N1CC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 96107648 HOWLMFUXWGCMFB-YJBOKZPZSA-N 342.399 1.406 0 40 EDAB CCN1C[C@]2(CC1=O)CN(C(C)=O)CCN(C(=O)c1ccsc1)C2 96036147 ZOIZIIAOXAIEMS-QGZVFWFLSA-N 349.456 1.291 0 40 EDAB CCN1C[C@@H]2[C@@H](OC)CCN(S(=O)(=O)c3cccc(F)c3)[C@@H]2C1 96206847 BQKVRDIQERJHLS-XHSDSOJGSA-N 342.436 1.555 0 40 EDAB CCOC(=O)c1n[nH]c([C@H](C)Nc2ncc(C(=O)OCC)c(C)n2)n1 585092506 BBLYMYAKTHYFJO-VIFPVBQESA-N 348.363 1.430 0 40 EDAB COC[C@H]1CCC2(CCN(S(=O)(=O)c3cccnc3)CC2)N1C 96218866 NCHVWAFGGOVFMV-CQSZACIVSA-N 339.461 1.346 0 40 EDAB COc1ccc(Cc2noc([C@H]3COCCN3C(C)=O)n2)cc1OC 585081632 JCGNXADAZRLOMS-CYBMUJFWSA-N 347.371 1.597 0 40 EDAB Cc1nnc(N2CC[C@H]3C[C@@H](C(=O)NC4CCCC4)O[C@H]3C2)s1 96041010 UVFKCUDHUYNSLX-UBHSHLNASA-N 336.461 1.889 0 40 EDAB CC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@H]1CCCS1(=O)=O 582796106 JXIQCJCJLMWYJT-CYBMUJFWSA-N 341.385 1.688 0 40 EDAB Cn1cc([C@H](O)CNC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cn1 245343912 WKXIHHOFDJODJS-RRFJBIMHSA-N 334.807 1.962 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H]1c1nc(C)ncc1CNC(C)=O 257251492 JQZCZEZEVQBHDC-CQSZACIVSA-N 340.449 1.298 0 40 EDAB COCC(=O)N1CCC[C@H](Cc2cnc(-c3ccnn3C)cn2)C1 257305770 SRLWKYIFTSDQRJ-CYBMUJFWSA-N 329.404 1.305 0 40 EDAB CN(Cc1ccccc1)C(=O)CN1CCC(N2CCNC2=O)CC1 52214835 GREGUDFVYGRLNM-UHFFFAOYSA-N 330.432 1.135 0 40 EDAB Nc1cc(CC[C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)ccn1 257273172 NFNQCJXERTWPIG-MRXNPFEDSA-N 343.431 1.501 0 40 EDAB CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1c1ccnc(C)n1 257265598 LZIXZEMRIAKPFJ-OAHLLOKOSA-N 326.404 1.861 0 40 EDAB CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2cccn2C)n1 257220343 DKLNHUIGVQBXAQ-OAHLLOKOSA-N 327.388 1.429 0 40 EDAB CN(C)c1cc(CC[C@@H]2CN(Cc3cnccn3)CCO2)ccn1 257248740 JEZCXQQSKMSCNE-QGZVFWFLSA-N 327.432 1.771 0 40 EDAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CNC2 257289692 PZUYFOMWCRBZLB-HNNXBMFYSA-N 341.390 1.586 0 40 EDAB COc1ccc(C)cc1NC(=O)CN1CC[C@@]2(CCCO2)[C@@H](O)C1 257279700 OHTZUSMCAKUIIV-WMZOPIPTSA-N 334.416 1.558 0 40 EDAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2cnn(C)c2)C1 257303466 SHIWNBQZSXSLHE-SFHVURJKSA-N 346.406 1.268 0 40 EDAB Cc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)s1 257258123 KSMCNIMLJXBGRT-QGZVFWFLSA-N 346.456 1.950 0 40 EDAB O=C(O)C[C@]1(NS(=O)(=O)c2cc(F)ccc2Cl)CCOC1 1601937254 LYDOGKPYGRLJBA-GFCCVEGCSA-N 337.756 1.391 0 40 EDAB COCC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(SC)c1 265538602 JJZFAXPYQQYJJX-HNNXBMFYSA-N 326.418 1.251 0 40 EDAB COc1cccc2c1OC[C@H](NC(=O)c1cn3c(n1)CCCC3)C2=O 1614680473 CTUIZPBOBWDIJR-ZDUSSCGKSA-N 341.367 1.602 0 40 EDAB Cn1ccnc1C[C@H](NC(=O)C1(Cc2ccccc2)CCC1)C(=O)O 1615548434 DOADPZNXMQRBJP-HNNXBMFYSA-N 341.411 1.945 0 40 EDAB Cc1cc(N2CCN(C)[C@]3(CCOC3)C2)nc(-c2ccncc2)n1 1615592423 UAGSZHIEJSCLBI-GOSISDBHSA-N 325.416 1.758 0 40 EDAB Cc1cc(OC2CCN(S(=O)(=O)c3cccnc3)CC2)nc(C)n1 390827770 KAUWWALJCQZNEL-UHFFFAOYSA-N 348.428 1.721 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 575403793 KNDMKPBVMZAFBI-LLVKDONJSA-N 346.449 1.898 0 40 EDAB CC(=O)Nc1cc(S(=O)(=O)N2CCN(C)C(C)(C)C2)ccc1F 585142076 OGIPNNRHDQDBQH-UHFFFAOYSA-N 343.424 1.499 0 40 EDAB O=C(Cc1cnc[nH]1)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585286274 WETBUERDRLCRBF-RGYTYGDFSA-N 333.363 1.426 0 40 EDAB Cn1cc(C(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c2ccccc21 585260803 JOTXHASDEYUFIO-KBAYOESNSA-N 343.427 1.132 0 40 EDAB O=C(NC1CCN(c2ncccn2)CC1)c1ccc2c(c1)OCO2 40529243 QSGAULBSRZUQKU-UHFFFAOYSA-N 326.356 1.604 0 40 EDAB O=C(NC[C@H]1CCCO1)Nc1cccc(N2CCCS2(=O)=O)c1 57525662 OFVZVUBHTQBDRG-CQSZACIVSA-N 339.417 1.527 0 40 EDAB Cc1cnc(CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)o1 93922073 UVLXDZBLPZXEOY-UHFFFAOYSA-N 326.765 1.991 0 40 EDAB CN(Cc1ccccn1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 96005307 UXIVFHMYHIGJQQ-UHFFFAOYSA-N 337.445 1.244 0 40 EDAB CCOC(=O)NCC(=O)Nc1ccc(I)cc1 42467829 YNUZSQGMDANTRG-UHFFFAOYSA-N 348.140 1.976 0 40 EDAB CCOC(=O)[C@H]1C(=O)N[C@@H]2CCC(=O)C[C@@]21c1ccc2c(c1)OCO2 5028797 CGRUAOXPPAGOCD-IIDMSEBBSA-N 345.351 1.084 0 40 EDAB COc1ccc2ncc(NC(=O)N3CCC(C(N)=O)CC3)c(O)c2n1 12117827 ZLDDMHGHDYCEJQ-UHFFFAOYSA-N 345.359 1.073 0 40 EDAB Nc1cccc(-c2nnn(CC(=O)Nc3ccc(F)cc3F)n2)c1 13997979 PQMQPRLWHCQIOE-UHFFFAOYSA-N 330.298 1.839 0 40 EDAB Cc1ccccc1C1=NO[C@H](CC2(C(=O)NCCO)CCOCC2)C1 19236967 IWWYHSYFKUEDSJ-HNNXBMFYSA-N 346.427 1.783 0 40 EDAB O=C(CCNC(=O)C(F)(F)Cl)N1CCN(c2ccccn2)CC1 153000355 ZUCXJVCLFRLGCI-UHFFFAOYSA-N 346.765 1.068 0 40 EDAB COC(=O)[C@@]1(NCc2ccn(C)n2)CCCN(Cc2ccccc2)C1 585139853 HAKFPSCIWIXOTH-LJQANCHMSA-N 342.443 1.718 0 40 EDAB Cc1cc(C(=O)NCCn2nc(C(F)(F)F)ccc2=O)c(C)o1 1888844056 UFSKLILESCWDPL-UHFFFAOYSA-N 329.278 1.902 0 40 EDAB CS(=O)(=O)N1CCC(C(=O)NCc2nccc3ccccc23)CC1 14391423 ZYKINJUPIYFRGA-UHFFFAOYSA-N 347.440 1.523 0 40 EDAB NS(=O)(=O)c1ccc(Br)c(C(=O)NCC2CCC2)c1 26138600 QSRFIMQSQMNSFE-UHFFFAOYSA-N 347.234 1.626 0 40 EDAB COc1ccc(CC(=O)N[C@@H](Cn2nccn2)C(C)C)cc1OC 238811989 ANJHYBXBWMPUKJ-AWEZNQCLSA-N 332.404 1.679 0 40 EDAB CN1C[C@]2(COCC1=O)CN(C(=O)c1ccc(Cl)cc1)CCO2 2037985865 ZAUHOHMDPQRUEO-MRXNPFEDSA-N 338.791 1.040 0 40 EDAB Cc1cc(S(=O)(=O)N2CCCN([C@@H]3CCOC3)CC2)ccc1F 1565522237 LGVFRDZTZQJDBA-CQSZACIVSA-N 342.436 1.619 0 40 EDAB Cc1cccc(F)c1C(=O)N1C[C@H]2O[C@H](C[C@H]2C(=O)NCC2CC2)C1 1565554463 RUVLIAMFYJVYKS-IIAWOOMASA-N 346.402 1.890 0 40 EDAB Cc1ccc(N2C[C@@H](NC(=O)NCCCN(C)C)CC2=O)cc1C 5187786 DVSMFIQWDIAPSH-HNNXBMFYSA-N 332.448 1.660 0 40 EDAB O=C(Cc1ccc(F)cc1)NCc1nnnn1-c1ccc(F)c(F)c1 9570926 PKEJJNWLWKTTSE-UHFFFAOYSA-N 347.300 1.939 0 40 EDAB CC1=NS(=O)(=O)N(C)C(=O)/C1=C/NCc1cccc(Cl)c1 1775978898 VGSOJHRPTKPYAU-XYOKQWHBSA-N 327.793 1.491 0 40 EDAB O=C(c1cnn2c1OCCC2)N1CCc2nc3ncccc3cc2C1 1890240239 NFRZSNWSKLLQQX-UHFFFAOYSA-N 335.367 1.807 0 40 EDAB Cn1cnc2ncnc(N3C[C@@H]4CN(c5ncccc5F)C[C@H]4C3)c21 2086865306 IIAVXEMYNGDBRC-RYUDHWBXSA-N 339.378 1.470 0 40 EDAB Cc1cc(OC2CN(C(=O)Nc3ccc4c(c3)OCO4)C2)cc(=O)o1 585325834 DKCKBELUIJCDKJ-UHFFFAOYSA-N 344.323 1.972 0 40 EDAB CCOc1ccc2nc(N3CC(C(=O)N4CCOCC4)C3)sc2c1 2298218134 GVBVWLPPKCWTFE-UHFFFAOYSA-N 347.440 1.990 0 40 EDAB Cc1ncc(CN2CC[C@H](NC(=O)c3nccnc3N)[C@H](C)C2)s1 96419301 ZZONXGMVQSCSPK-MFKMUULPSA-N 346.460 1.464 0 40 EDAB Cc1ccn2cc(C(=O)NC[C@H](C(C)C)N3CCOCC3)nc2c1 40047478 SEEMQBKFGPVCLW-MRXNPFEDSA-N 330.432 1.729 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)NCCOc2cccc(F)c2)c1 40105082 NELNIJDMHBQCQX-UHFFFAOYSA-N 339.344 1.881 0 40 EDAB Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CCS(=O)(=O)C1 30805178 ZJULMMPKBLWTQW-SECBINFHSA-N 326.399 1.628 0 40 EDAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@@H]1NC(=O)NC1=O 30891572 UXRWBYGBVOMJGS-NSHDSACASA-N 343.305 1.652 0 40 EDAB O=C(NCCNC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1 31049643 RKSKJUCVETXAKX-UHFFFAOYSA-N 343.427 1.181 0 40 EDAB Cc1cc(C)n2nc(CC(=O)NCc3ccc4c(c3)OCO4)nc2n1 31550288 MCUMMLDICZZOBS-UHFFFAOYSA-N 339.355 1.329 0 40 EDAB Cc1c(C(=O)NCCN(C)C)cnn1-c1ccc(C(F)(F)F)cn1 40488840 HZWNNUNJQRTMAX-UHFFFAOYSA-N 341.337 1.886 0 40 EDAB CCN(CC)C(=O)CN1CCCN(C(=O)Nc2cc(C)on2)CC1 31661584 JDOFDHVSUOCEDV-UHFFFAOYSA-N 337.424 1.391 0 40 EDAB O=C(CSc1nc(O)c2cn[nH]c2n1)NCc1ccccc1F 31610839 PWTQIHPGKGHPTM-UHFFFAOYSA-N 333.348 1.606 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)CN2CCOCC2)cc1 40528159 VYCVEDCGPFDELC-ZDUSSCGKSA-N 328.434 1.084 0 40 EDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 20725718 XYNTYIURXZOMAF-OAHLLOKOSA-N 348.790 1.893 0 40 EDAB COc1cc(NC(=O)Cn2nc3c(cc2=O)CCCC3)cc(OC)c1 21110263 RGLQEAUEYAYGAR-UHFFFAOYSA-N 343.383 1.778 0 40 EDAB CN(CC(N)=O)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 52831131 YCHXHLBHNPISFI-LJQANCHMSA-N 343.402 1.791 0 40 EDAB O=C(NCCc1ccccc1F)C1CCN([C@H]2CCOC2=O)CC1 52826197 MRDDPUPZZSRDLH-INIZCTEOSA-N 334.391 1.512 0 40 EDAB C[C@H](Sc1nccn1C)C(=O)NC[C@@H]1COc2ccccc2O1 22767082 QCMGJWYDQXTMTF-NWDGAFQWSA-N 333.413 1.857 0 40 EDAB COCCN1CCN(CC(=O)NCCc2c[nH]c3ccccc23)CC1 22844454 UDTYFICMEKMYTE-UHFFFAOYSA-N 344.459 1.091 0 40 EDAB CCN1CCC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 54460792 DTXLYKKIYHZQTP-JKSUJKDBSA-N 328.420 1.057 0 40 EDAB Cc1cc(C(=O)CN2CCN(c3ccc4nncn4n3)CC2)c(C)[nH]1 106092391 MRYBDDKUIMWPGN-UHFFFAOYSA-N 339.403 1.074 0 40 EDAB COC(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)nc1 25394224 WUECYLCCRTZTFS-UHFFFAOYSA-N 342.355 1.352 0 40 EDAB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 25708819 AJXLUUFOXFMJEG-UHFFFAOYSA-N 325.284 1.246 0 40 EDAB CC1(C)[C@H]2CC[C@@]3(C)C(=O)N(NC(=O)c4ccc(O)cc4)C(=O)[C@@]213 4374631 PEIVWBQRMKASBC-UUWFMWQGSA-N 328.368 1.848 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)CCO1 43702746 UMCWCTWZTDVSIW-JTQLQIEISA-N 332.125 1.514 0 40 EDAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(C)C1=O 71915576 PFFZVONKEJHCEL-HZPDHXFCSA-N 345.443 1.486 0 40 EDAB Cc1nc(CC(=O)N2CCCN(Cc3cnn(C)c3)CC2)cs1 72279746 YXNFMXPRANXFNT-UHFFFAOYSA-N 333.461 1.462 0 40 EDAB COCCc1noc(CN2CCC[C@@H]2c2c(C)nn(C)c2OC)n1 72253826 HEQWDOPHTKSVSF-GFCCVEGCSA-N 335.408 1.646 0 40 EDAB Cn1nc(CC(=O)NCCc2cccs2)c2ccccc2c1=O 10031779 IFAIDZNRSDVUGG-UHFFFAOYSA-N 327.409 1.896 0 40 EDAB O=C(c1cnn([C@H]2CCS(=O)(=O)C2)c1)c1cc(Cl)ccc1O 58157606 OESOEXNKSMKMJI-NSHDSACASA-N 340.788 1.833 0 40 EDAB CC[C@](C)(O)CNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 58174372 HVNPYFSXDLDNGW-AWEZNQCLSA-N 329.422 1.219 0 40 EDAB CNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1 44866474 MTBCYJBNIOBRPJ-YPMHNXCESA-N 340.445 1.912 0 40 EDAB CN(CC(=O)NC1(c2ccccc2)CCC1)c1ncnc2[nH]cnc12 58247274 JAPXGTOLHPSNDK-UHFFFAOYSA-N 336.399 1.985 0 40 EDAB C[C@H](CN1CCCC1=O)NC(=O)NCc1ccccc1-n1cccn1 58225125 MIYOSUFZJCJODO-CQSZACIVSA-N 341.415 1.682 0 40 EDAB COc1cc(C)c(S(=O)(=O)NCCCN2CCCC2=O)c(C)c1 44915164 FUCJILDDZNZJBA-UHFFFAOYSA-N 340.445 1.603 0 40 EDAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cn3cccnc3n2)CC1 44945330 IDZWRQDSXWNOTO-UHFFFAOYSA-N 331.376 1.422 0 40 EDAB CCOc1ccc(S(=O)(=O)[C@H](C)C(=O)N2CCOCC2)cc1 44947567 SVMPSORIBNSWEC-GFCCVEGCSA-N 327.402 1.106 0 40 EDAB C[C@H]1CN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)[C@H](C)CO1 58380911 HTDYKVKROVPYPK-KGLIPLIRSA-N 335.429 1.729 0 40 EDAB O=C(CS[C@H]1CCS(=O)(=O)C1)NCCc1c(F)cccc1F 58309622 OHUCNRRKSPWBHY-JTQLQIEISA-N 349.424 1.544 0 40 EDAB C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1cccn1 45053955 HCIHKZJELNUENW-CQSZACIVSA-N 342.399 1.517 0 40 EDAB COc1ccc(OCC(=O)Nc2ccc(-n3cncn3)nc2)cc1 29108889 ILDGMVPOFHGCBL-UHFFFAOYSA-N 325.328 1.688 0 40 EDAB Cc1cccc(OCCNC(=O)NCCNC(=O)c2ccco2)c1 29338328 KYMQMWYYRNZMPD-UHFFFAOYSA-N 331.372 1.696 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1=O 46483867 XGSDHDZLQQVQPO-QWHCGFSZSA-N 337.420 1.267 0 40 EDAB CCN(CC)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 46417599 VNXUHWWQYIWBNE-GFCCVEGCSA-N 339.386 1.776 0 40 EDAB COc1ccccc1CCNC(=O)c1cc2c([nH]c1=O)CCCC2=O 29923861 PPWSNWHLYXXOPW-UHFFFAOYSA-N 340.379 1.875 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 72253332 AKHSECHBAJOJSV-LBPRGKRZSA-N 332.379 1.354 0 40 EDAB CCOC(=O)CSC1=N/C(=C\c2cn(C)nc2C)C(=O)N1CC 2785634 WOBUHAPVUFJGTB-GHXNOFRVSA-N 336.417 1.584 0 40 EDAB CN(C)C(=O)CN(C)C(=O)CCOc1ccc(Br)cc1 48062048 QBXJCTRACNQMNI-UHFFFAOYSA-N 343.221 1.765 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cnc(C)cn2)c1C 3279807 SHQOTBYTDQQOFH-UHFFFAOYSA-N 345.355 1.946 0 40 EDAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N=c1[nH]c2ccccc2[nH]1 12635235 LIHQKOXWCJOEBW-RYUDHWBXSA-N 340.383 1.489 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCOCC[C@H]1C 96010039 DSDHXPZWHRPATN-GFCCVEGCSA-N 329.466 1.955 0 40 EDAB CCN(Cc1cccc(S(=O)(=O)N(C)C)c1)C[C@H]1CCOC1 48236135 RYVYEEQLDYAELE-OAHLLOKOSA-N 326.462 1.795 0 40 EDAB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccccc2C)C(=O)N1 10385059 WCJRKUSCLJHNDJ-QWHCGFSZSA-N 336.413 1.487 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F 13000332 PZPGKTRASMCJKR-AWEZNQCLSA-N 334.372 1.427 0 40 EDAB CCn1nnc(-c2ccc(O)c(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)c2)n1 71285294 LOCAWIURYRSOES-NEPJUHHUSA-N 345.359 1.361 0 40 EDAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1cnn(C)c1C 71280581 UKMPBFWVFHYLNU-NSHDSACASA-N 331.376 1.920 0 40 EDAB O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)NC[C@@H]2CCCO2)c2ccccc21 4046738 LPVUBEMQVNVTLG-YLVFBTJISA-N 344.367 1.142 0 40 EDAB biogenic Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2nnc(C)o2)cc1 39188178 PSACSFLZCVCWQX-UHFFFAOYSA-N 339.373 1.050 0 40 EDAB COc1ncccc1NC(=O)C(=O)NCC1(N(C)C)CCCCC1 49544802 WYPCVMYNAUHNCP-UHFFFAOYSA-N 334.420 1.409 0 40 EDAB Cn1c(SCC(=O)NCc2ccco2)nc2ccsc2c1=O 9113757 GJVKOWGRGAMBFY-UHFFFAOYSA-N 335.410 1.997 0 40 EDAB COC(=O)CNC(=O)COCC(=O)Nc1cccc(Cl)c1Cl 13942210 ZBXVRXJCVFPYCJ-UHFFFAOYSA-N 349.170 1.238 0 40 EDAB COc1ccccc1CN(C)S(=O)(=O)C1CCS(=O)(=O)CC1 65476284 FNQIGUJGJSQKHM-UHFFFAOYSA-N 347.458 1.034 0 40 EDAB Cn1ccnc1CCNC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C 65542146 BTNIFGMPKOVYCX-NSHDSACASA-N 340.449 1.389 0 40 EDAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 14122359 AAZLNYWJUVVKEK-KRWDZBQOSA-N 329.356 1.548 0 40 EDAB Cc1cccc(C(=O)NCCC(=O)Nc2ccc(C(N)=O)cc2)c1 9300284 RASFIANWGOSGLO-UHFFFAOYSA-N 325.368 1.853 0 40 EDAB C[C@H]1CN(C2CCN(Cc3nc(N)c4ccccc4n3)CC2)CCO1 67400163 NYEXVXAHZWTWOI-AWEZNQCLSA-N 341.459 1.897 0 40 EDAB CC(C)NC(=O)c1cccc(CNC(=O)N2CCC[C@@H](CO)C2)c1 67466030 CBDZBYUSVGUNEN-OAHLLOKOSA-N 333.432 1.739 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)N(C)Cc2cnn(C)c2)ccc1F 69717064 BHLGNMVHDLOTEH-UHFFFAOYSA-N 344.354 1.507 0 40 EDAB Cc1cc(C)n(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1 71877760 PJXVNYUSJJRQRD-OAHLLOKOSA-N 339.461 1.458 0 40 EDAB Cc1ccc2cc(C(=O)N3CCN(C[C@@H](C)O)CC3)c(C)nc2c1 70038688 ZHPZDBAJEGSEDA-CQSZACIVSA-N 327.428 1.990 0 40 EDAB CC(C)[C@H](C(=O)N1CCCN(c2cccnn2)CC1)n1cncn1 70007998 YFSGVVQAWLUFFM-OAHLLOKOSA-N 329.408 1.004 0 40 EDAB CCCn1nc(C(=O)N2CCCC[C@H]2Cn2cccn2)ccc1=O 71865005 GDQHUFGXHWDXSD-AWEZNQCLSA-N 329.404 1.545 0 40 EDAB NC(=O)CN1CCCN(C(=O)CCc2ccc3ccccc3c2)CC1 71829262 YLISLDIZEPUQCT-UHFFFAOYSA-N 339.439 1.792 0 40 EDAB CC(C)COC[C@H](O)CNC(=O)NCc1nncn1-c1ccccc1 69352006 BWHZKAGGYNXZQA-OAHLLOKOSA-N 347.419 1.100 0 40 EDAB O=C(NCCCN1C(=O)CCC1=O)NCc1ccc2c(c1)CCC2 71879706 SBILMEDFWYUGFI-UHFFFAOYSA-N 329.400 1.514 0 40 EDAB CCc1noc([C@@H](C)N2CCN(CC(=O)N3CCC[C@@H](C)C3)CC2)n1 69420738 VMMZLGHJCPRBQA-HUUCEWRRSA-N 349.479 1.569 0 40 EDAB O=S1(=O)N=C(CN2CCc3cncnc3C2)Nc2ccccc21 69489675 GICFOFXTOGCQGB-UHFFFAOYSA-N 329.385 1.048 0 40 EDAB CN(C)CCN(Cc1ccncc1)Cn1ncc2ccccc2c1=O 71883584 YKGWQIATKCMKKK-UHFFFAOYSA-N 337.427 1.813 0 40 EDAB COc1ccc(CC2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)cc1 69532308 JQZVJLGPCZXNQH-INIZCTEOSA-N 330.428 1.955 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCN3CCCC[C@@H]3C2)c2ccccc21 71839852 MEBGKXRGFAZHSS-CQSZACIVSA-N 328.416 1.037 0 40 EDAB CC(C)c1ccc(OCC(=O)NCCCN2CCC[C@H]2C(N)=O)cc1 69618274 YRFZXPAPDUOVIK-KRWDZBQOSA-N 347.459 1.645 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NC(=O)c1cnn(-c2ccccc2F)c1C 71888296 WCYJQEHZKSHBCY-UHFFFAOYSA-N 342.334 1.703 0 40 EDAB COc1ccc(CCCC(=O)N2CCN(CC(C)(C)O)CC2)cc1 69771991 MEVBTUULRSLSGE-UHFFFAOYSA-N 334.460 1.933 0 40 EDAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccco2)c1 8751543 IMUKFAJTBVIPTD-UHFFFAOYSA-N 342.804 1.814 0 40 EDAB O=C(Cc1cccc2ccccc12)NCC(=O)NC1CCC(O)CC1 8778345 HVSMHPDQFMXNOH-UHFFFAOYSA-N 340.423 1.918 0 40 EDAB O=S(=O)(NC[C@@H](O)Cc1ccccc1)c1ccc(F)cc1F 70958293 FZPLTRYMAQBVQV-ZDUSSCGKSA-N 327.352 1.847 0 40 EDAB OC[C@H]1CCCN1c1cc(NC[C@@H](O)c2cccc(F)c2)ncn1 72276194 DMZSJLTZIFFHLL-HUUCEWRRSA-N 332.379 1.722 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CCc3ccccc3[C@H]2CO)c1 97165459 XFAXGIVTPOEVDB-OAHLLOKOSA-N 335.429 1.744 0 40 EDAB C[C@@]1([C@@H]2CCCN(CCc3ccc4c(c3)CCO4)C2)NC(=O)NC1=O 72300746 KBKRTYPCZKXRLV-BEFAXECRSA-N 343.427 1.474 0 40 EDAB CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccc(=O)n(-c2ccccc2)n1 97233349 PXURASAKBWSIEY-YOEHRIQHSA-N 341.411 1.856 0 40 EDAB O=C(NCCc1cnn(-c2ccccc2)c1)[C@H]1NCCc2[nH]cnc21 72475081 WMDJQLLGDJQZRI-KRWDZBQOSA-N 336.399 1.141 0 40 EDAB Cc1nn(CCO)c(C)c1CNC[C@H]1CCCN1c1cccnn1 95373365 WLDGJMHPUCTEDY-OAHLLOKOSA-N 330.436 1.041 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCC(=O)NC2)cc1 95350711 SHRPMYVSEWVUFI-WFASDCNBSA-N 345.399 1.151 0 40 EDAB CC[C@H]1CN(C(=O)c2cnc3[nH]nc(C)c3c2)C[C@@H]1N1CCOCC1 84736055 IOULTAKVOKMLHZ-BBRMVZONSA-N 343.431 1.449 0 40 EDAB COc1cccc(CS(=O)(=O)NC[C@@H]2COC3(CCCC3)O2)c1 95459486 LHVTWMNZBRWDKE-OAHLLOKOSA-N 341.429 1.800 0 40 EDAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cc1n[nH]c3ccccc13)CC2 95400722 MQJKJOLNGDEZKN-DLBZAZTESA-N 343.427 1.884 0 40 EDAB Cc1cc(CNc2ccc(OCCO)nc2)ccc1-n1cncn1 95436144 YUOOHDAMYUYIDA-UHFFFAOYSA-N 325.372 1.954 0 40 EDAB Cc1ccc(-c2noc(CCC(=O)N3CC(N(C)C)C3)n2)cc1F 95448392 BVHWOIBKPJPGBI-UHFFFAOYSA-N 332.379 1.889 0 40 EDAB Cn1cc(S(=O)(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1 95984247 GIDWQMULFXINGD-UONOGXRCSA-N 341.820 1.882 0 40 EDAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc3n[nH]c(=O)n3c2)c1 89618677 DHFBUONVBQFJHL-UHFFFAOYSA-N 340.339 1.435 0 40 EDAB Cc1ccnc2nc(C(=O)N3CCC[C@H](N4CCCCCC4)C3)nn12 89701920 LOBJFNKTAOUTAG-HNNXBMFYSA-N 342.447 1.913 0 40 EDAB CC(C)N1C(=O)N[C@@](C)([C@H]2CCCN(CCOCC3CC3)C2)C1=O 89869738 RCZAZSHASZTHFM-YJBOKZPZSA-N 337.464 1.844 0 40 EDAB COc1ccnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)c1 89982079 HVXIYPAUFOTIAB-AWEZNQCLSA-N 326.356 1.729 0 40 EDAB Cc1ccccc1OC[C@@H](O)CNC[C@H]1CCCN1c1cccnn1 75584879 RVICEUFZWLOLOW-SJORKVTESA-N 342.443 1.783 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)CS(=O)(=O)C(C)C 75602364 XSVOPOAESNGAQM-NSHDSACASA-N 347.868 1.869 0 40 EDAB Cc1cccc(C(=O)N[C@H]2CCN([C@@H](C)c3nnnn3C3CC3)C2)n1 1010231766 XPONCUYPZKREST-STQMWFEESA-N 341.419 1.277 0 40 EDAB CSCC[C@H](NC(=O)[C@H](C)n1cnnn1)c1nc2ccccc2[nH]1 524734989 XNXFEBPDVJHLOA-GWCFXTLKSA-N 345.432 1.721 0 40 EDAB N[C@]12CC[C@H]1CN(C(=O)NCc1ccccc1CN1CCCC1)C2 1553426436 YQVQYXBRHOXQQG-HKUYNNGSSA-N 328.460 1.915 0 40 EDAB CNC(=O)[C@H]1CCCc2sc(/C=C/c3cn(CC(=O)O)nn3)nc21 555463682 OQDCRVQCAPBJLI-PORFMDCZSA-N 347.400 1.156 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2cncn2-c2ccccc2)C1 76375318 XOEYJGAPOGCTEQ-UKRRQHHQSA-N 347.440 1.958 0 40 EDAB CC(=O)N1CCO[C@H](c2cc(NCCc3cnccn3)nc(C)n2)C1 72387911 WCBUMGNCRSAYKC-INIZCTEOSA-N 342.403 1.149 0 40 EDAB O=C1c2ccccc2C(=O)N1CCCc1noc([C@@H]2CCCN2)n1 218378361 DJSCGSYDSRQPNZ-ZDUSSCGKSA-N 326.356 1.723 0 40 EDAB Cc1cncc([C@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)n1 72369421 VNPOGBMCMVUHRX-ZDUSSCGKSA-N 335.433 1.395 0 40 EDAB CN1CCN(c2cc(C(=O)N[C@H]3COc4ccccc43)ccn2)CC1 78999462 PVVFTMCRHAYLBF-INIZCTEOSA-N 338.411 1.697 0 40 EDAB C[C@H](N)C(=O)N(C)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 79393087 ICNTTYVCJLHXQJ-HOCLYGCPSA-N 333.432 1.983 0 40 EDAB Cc1n[nH]c(SCCNS(=O)(=O)c2ccc(Cl)cc2)n1 222985369 AIMNLMIZXVHZCJ-UHFFFAOYSA-N 332.838 1.837 0 40 EDAB Cn1ncc(Br)c1CC(=O)N[C@]12CCC[C@H]1NCC2 1579998551 QJSXEFJMWYFAEJ-YPMHNXCESA-N 327.226 1.126 0 40 EDAB O=c1ccc(C(F)(F)F)nn1C[C@H](O)COCc1ccccc1 195545477 XUZDRIFFVGVCRE-LBPRGKRZSA-N 328.290 1.840 0 40 EDAB O=c1[nH]c(=O)n(C[C@@H](O)COCc2ccccc2Cl)cc1Cl 96443611 TZRNHXOGELCHFI-SNVBAGLBSA-N 345.182 1.421 0 40 EDAB NC(=O)[C@H](NC[C@@H]1CCOC1)c1ccc(Br)cc1F 96437013 MECLPLOUBUZSST-QPUJVOFHSA-N 331.185 1.741 0 40 EDAB CS(=O)(=O)N1CCC[C@]12CCCN(C(=O)c1ccncc1F)C2 96214974 CVUKXYCGFCDPFH-HNNXBMFYSA-N 341.408 1.251 0 40 EDAB CS(=O)(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159760 CRDOBLHTZDLYFX-OAHLLOKOSA-N 326.393 1.210 0 40 EDAB O[C@H](COc1cc(Br)ccc1F)CN1CCOCC1 180799108 SLTWFOZEWFCKPU-NSHDSACASA-N 334.185 1.660 0 40 EDAB CCc1nnc2n1C[C@H](NCc1cn(C)nc1-c1cccnc1)CC2 97199526 IAKUUKUJSYYNJN-OAHLLOKOSA-N 337.431 1.741 0 40 EDAB Cc1noc(C)c1CNC[C@H]1Cn2nnc(-c3ccncc3)c2CO1 96199252 PKIBWTIJAVKDAS-AWEZNQCLSA-N 340.387 1.634 0 40 EDAB Cc1ccccc1CNC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NC(C)C)C1 96252888 ILIYXJDHQRGKCW-IXDOHACOSA-N 345.443 1.819 0 40 EDAB Cc1nnc(N2CC[C@H]3C[C@H](C(=O)NCc4ccco4)O[C@@H]3C2)s1 96042790 WXLFCXFRYOANAY-IACUBPJLSA-N 348.428 1.740 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2CCc3ncnc(N(C)C)c3C2)c1 97200419 BQPOXZPJYWNQPU-HNNXBMFYSA-N 342.443 1.649 0 40 EDAB Nc1noc(CCNC(=O)Cc2cccc(Br)c2)n1 96449857 PELGCIGJFPPUAA-UHFFFAOYSA-N 325.166 1.316 0 40 EDAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Cc2cnn(C)c2)cc1 583616095 KOPDYDFHBNTTTG-PKOBYXMFSA-N 343.427 1.870 0 40 EDAB O=C(c1ccnnc1)N1Cc2nccn2C[C@H](COCC2CC2)C1 96187904 RHRMCKRLMPWPIS-AWEZNQCLSA-N 327.388 1.372 0 40 EDAB COCC(=O)N1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 96244305 RKTMFEQKVJPYAN-SFHVURJKSA-N 340.383 1.185 0 40 EDAB Fc1cnc(N2CC3(C2)OCC[C@H]3COCc2ccncc2)nc1 247494815 COUMTFHXNPSDCW-AWEZNQCLSA-N 330.363 1.823 0 40 EDAB O=C(c1cocn1)N1Cc2cncn2[C@H](COCc2ccncc2)C1 247889817 YCRZWDXUYHUPIK-HNNXBMFYSA-N 339.355 1.680 0 40 EDAB CS(=O)(=O)NC[C@H]1CN(Cc2ccsc2)Cc2ccnn2C1 247510663 IIFFIEKRJALDOK-ZDUSSCGKSA-N 340.474 1.126 0 40 EDAB C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 252586168 NYFNQZMCLCJGAF-RHSMWYFYSA-N 346.475 1.485 0 40 EDAB Cc1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1O 185011237 SRAHBFFSSOZVCO-MNOVXSKESA-N 334.235 1.949 0 40 EDAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@H]1S(C)(=O)=O 252515292 IFRYPRVOFPOTPI-SQWLQELKSA-N 325.430 1.268 0 40 EDAB O=C(CCn1cnc2ccccc21)N1CC[C@H](O)[C@]2(CCCO2)C1 257264596 LVDZGABKOOGZMZ-WMZOPIPTSA-N 329.400 1.569 0 40 EDAB Cc1cnc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)c4ccno4)C[C@@H]32)cn1 257335318 YJRJUFRBZPQUCR-HZSPNIEDSA-N 327.388 1.760 0 40 EDAB O=S(=O)(c1ccc(NC[C@@H]2CCC=CO2)cc1)N1CCOCC1 585118311 KCTLFSFXLLVOND-HNNXBMFYSA-N 338.429 1.812 0 40 EDAB Cc1nc(N2CCN(C(=O)c3cc(F)c(F)c(F)c3F)CC2)n[nH]1 585127378 YXAAACMPUBAIKR-UHFFFAOYSA-N 343.284 1.632 0 40 EDAB CC1(C)C[C@H](O)CCN(C(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)C1 585132140 OYAMANNYSHODSG-RBSFLKMASA-N 341.448 1.697 0 40 EDAB COc1ncc(CN2CCC[C@@H]2c2nc(C)ncc2CN(C)C)cn1 257301772 RZWNXPMINCAUNM-MRXNPFEDSA-N 342.447 1.982 0 40 EDAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@H](Cc1cnccn1)CO2 257249266 JHNJNVNQUHZLBA-AWEZNQCLSA-N 341.415 1.464 0 40 EDAB O=C(N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O)c1ccc2c(c1)OCO2 257305163 SORXVYMWHGYFIL-XJKCOSOUSA-N 329.356 1.496 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)CC2(O)CCCCC2)CCO1 257213025 CFWYDXOFMQODRM-ZDUSSCGKSA-N 334.420 1.504 0 40 EDAB CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccc(F)cc2)C1 260752070 XCNCKMWSHWPWHW-LBPRGKRZSA-N 328.409 1.850 0 40 EDAB C[C@H](CC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1)CN(C)C 1616038256 ZVNFQGBDGBCARN-IAGOWNOFSA-N 347.507 1.296 0 40 EDAB CC(C)CCCN1CCC(NS(=O)(=O)c2cn(C)cn2)CC1 1616032627 VOIDRLHDDLDSEZ-UHFFFAOYSA-N 328.482 1.599 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N(C)Cc2nnc3n2CCC3)n1 65390696 YTVMBDBIMWWKTD-LBPRGKRZSA-N 345.451 1.515 0 40 EDAB CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 602918656 WSXKUBPKQSNKJN-WQHBLYJGSA-N 327.331 1.229 0 40 EDAB COc1ccc(Cl)cc1S(=O)(=O)N1Cc2cncnc2C1 96098288 VLKSTTPYCJUIRA-UHFFFAOYSA-N 325.777 1.843 0 40 EDAB CC(C)C[C@H]1COCCN1C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O 564894901 FEUVESJTXWCVHH-UONOGXRCSA-N 325.453 1.842 0 40 EDAB COCC(=O)N1CC2(C[C@@H](CCOc3cncc(C)n3)CCO2)C1 575405496 SVFHSCRWZJAZHT-AWEZNQCLSA-N 335.404 1.208 0 40 EDAB Cc1cc(C)c(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)O)s1 571835724 LIKAPEHOFJGESS-WDEREUQCSA-N 333.431 1.523 0 40 EDAB CC(=O)N1CCC(N2CC[C@@](O)(COc3ccc(C)cc3)C2)CC1 585269497 XCCAAWAOYCUGCI-IBGZPJMESA-N 332.444 1.822 0 40 EDAB Cn1nccc1C(=O)N1CCO[C@H]2CC[C@H]1[C@H]2OCc1cccnc1 585108848 VWTQKZARBSHLBI-BHYGNILZSA-N 342.399 1.404 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1ccc(OC)c(F)c1 585279189 VDDHZBSZJIMPSI-KRWDZBQOSA-N 338.379 1.592 0 40 EDAB Cn1cnc2c1C[C@@H](CNS(C)(=O)=O)N(CC1CCCCC1)C2 585094987 YHXWYKMUOJCURQ-AWEZNQCLSA-N 340.493 1.276 0 40 EDAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1nnc[nH]1 15879925 LVAGDDNOQXCEFX-UHFFFAOYSA-N 347.194 1.767 0 40 EDAB CCN1C[C@H](CN(C)C(=O)c2ccn(C)c(=O)c2)Oc2ccccc21 44907799 AIUAUPVBVLFGBN-HNNXBMFYSA-N 341.411 1.745 0 40 EDAB O=S(=O)(Cc1ccccc1)NC1CCN(c2ncccn2)CC1 56058978 WOBHPVFKBOUTPA-UHFFFAOYSA-N 332.429 1.565 0 40 EDAB CC[C@@H](COC)NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 78844759 REVRQOCMZHMWFA-AWEZNQCLSA-N 342.461 1.872 0 40 EDAB Cc1nccc(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)n1 57075211 CFAHHPDKSQXCFV-AWEZNQCLSA-N 327.392 1.043 0 40 EDAB CS(=O)(=O)CC1(CC(=O)N2CCC[C@]3(CCCOC3)C2)CC1 79993011 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C[C@H](CNC(=O)c1ccc(Oc2ncccn2)cc1)N1CCOCC1 19456512 WBYMRXXETWXWAG-CQSZACIVSA-N 342.399 1.719 0 40 EDAB CCOC(=O)C1=CN/C(=C(/C)C(=O)OC)S[C@H]1C(=O)OCC 1651661 CDSGPNSMBUWSBF-MXBGMFSPSA-N 329.374 1.106 0 40 EDAB COc1cc(OC[C@@H]2COC(=O)O2)ccc1OC[C@H]1COC(=O)O1 627276205 CQBQKTIQVKPFAR-MNOVXSKESA-N 340.284 1.524 0 40 EDAB COc1cc(OC)cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2)c1 575611422 XFTCFCYSZVAXOS-CQSZACIVSA-N 334.416 1.687 0 40 EDAB COc1ccc(C(=O)[C@H](C)OC(=O)CNC(=O)c2ccco2)cc1 6101108 BMAIZSURKQMGBR-NSHDSACASA-N 331.324 1.833 0 40 EDAB Cc1cc(N2CCN(c3ncc(F)cn3)CC2)nc(N2CCCC2)n1 1888834046 VSXACWOSGWHUIA-UHFFFAOYSA-N 343.410 1.641 0 40 EDAB Cc1cn2nc(OCC3CCN(C(=O)[C@@H]4CCOC4)CC3)ccc2n1 1888850399 IWUDVQMOKWYWEI-OAHLLOKOSA-N 344.415 1.692 0 40 EDAB O=C(N[C@H]1CCCN(c2ncc(Br)cn2)C1)C1CC1 1889065379 LNELGIVBIHURRS-NSHDSACASA-N 325.210 1.734 0 40 EDAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15085483 COYYUZBJTNLHNH-UHFFFAOYSA-N 326.418 1.190 0 40 EDAB CC(C)N(CC(N)=O)Cc1cc2c(cc1Br)OCCO2 7461354 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0 40 EDAB CCc1cccc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)c1 105889004 DXCYFBQUKKFLAX-KRWDZBQOSA-N 328.416 1.785 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1N[C@@H]1C[C@H](C)OC1=O 78897091 VBZDNUOJJMVJKJ-RFQIPJPRSA-N 332.466 1.119 0 40 EDAB Cc1cc(C(=O)NCCN2CCN(C)C[C@H]2c2ccccc2)n(C)n1 106571461 CQDMCTFDVQCUQO-SFHVURJKSA-N 341.459 1.447 0 40 EDAB COc1cccc2c(=O)c(C(=O)NCc3nnc4ccccn34)c[nH]c12 79464695 VYOPOFGDIZJNDE-UHFFFAOYSA-N 349.350 1.509 0 40 EDAB Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)ncn3C)cn1C 79492792 NHZYPEYRAXMPFR-UHFFFAOYSA-N 326.356 1.598 0 40 EDAB C[C@H]1CN=C(N2CCN(CC(=O)N[C@@H](C)c3ccco3)CC2)S1 79497529 YIEJRIRURIZMMG-STQMWFEESA-N 336.461 1.566 0 40 EDAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nnnn2c1 79485628 NFDNBDMXFLJAAK-UHFFFAOYSA-N 336.399 1.519 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2C[C@@H](O)COCc2ccco2)n1 106785838 ZORIFTXSKPKINV-IAGOWNOFSA-N 348.447 1.920 0 40 EDAB Cc1cc(NC(=O)NCC2(N3CCOCC3)CCCCC2)n(C)n1 43435205 UJYODQLNEAPKOV-UHFFFAOYSA-N 335.452 1.885 0 40 EDAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ncn(Cc2ccccc2F)n1 2809634 DNPPMFYBHFHIRV-KPWCQOOUSA-N 342.330 1.132 0 40 EDAB C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(=O)NC(N)=O 56177703 IOEMPCNAQDKSNB-MXWKQRLJSA-N 338.383 1.435 0 40 EDAB CN(CC(=O)N1CCC[C@H]1c1ccncc1)c1ncnc2[nH]cnc12 56403485 RZIJTJQRUONPSZ-ZDUSSCGKSA-N 337.387 1.548 0 40 EDAB Cc1nc2ncc(C(=O)N[C@H](C)c3nnnn3-c3ccccc3)cc2[nH]1 96011225 NWPLLXNZWGQMGT-SNVBAGLBSA-N 348.370 1.733 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)NCc2ccc(F)cc2)CC1 26280988 OEBUXZIOGWEGMS-UHFFFAOYSA-N 329.397 1.049 0 40 EDAB CC(=O)c1ccccc1NC(=O)COc1ccc(-n2cnnn2)cc1 7251309 VMMOBWKGPLLIRU-UHFFFAOYSA-N 337.339 1.882 0 40 EDAB Cc1ccc([C@@H]2[C@H](C(=O)NCCCN(C)C)CCC(=O)N2C)cc1 57355915 CFZTZPBRGRWIIC-SJLPKXTDSA-N 331.460 1.972 0 40 EDAB CCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cccc(C)c21 8843707 XOFSDDZOKWRDBA-MRXNPFEDSA-N 346.412 1.517 0 40 EDAB C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(-n2cncn2)nc1 58151701 SXLGOXXILXNUKA-JSGCOSHPSA-N 331.376 1.575 0 40 EDAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2)cc1 20245485 FHDFHWOAQSNQQD-UHFFFAOYSA-N 347.440 1.859 0 40 EDAB CC(=O)NCCNC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 44889419 VDEDHKPNMGRQHE-UHFFFAOYSA-N 326.780 1.296 0 40 EDAB CCOC(=O)CN(CCOC)CC(=O)Nc1ccc(Cl)cc1F 58277838 GVWRYIFSSXNOOR-UHFFFAOYSA-N 346.786 1.929 0 40 EDAB C[C@@H](CCc1ccccc1)CC(=O)N1CCN(CC(=O)N(C)C)CC1 58282088 ICANYIROPKOPTD-KRWDZBQOSA-N 345.487 1.878 0 40 EDAB Cc1cccc(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 58282165 LPDLWKKRUKSHIJ-JTQLQIEISA-N 333.413 1.338 0 40 EDAB COc1cccc(COCC(=O)N2CCN(c3cnccn3)CC2)c1 44942720 ROFDLQUOZWKWJM-UHFFFAOYSA-N 342.399 1.351 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 44969733 MTISPONLMDBQGU-UONOGXRCSA-N 329.408 1.030 0 40 EDAB COc1ccc(NC(=O)N2CCC(CN3CCOCC3)CC2)cn1 44972622 ORIVHRSMKIUATR-UHFFFAOYSA-N 334.420 1.666 0 40 EDAB CCN(CC(=O)N(C)C)C(=O)CCCOc1cccc(C(C)=O)c1 58392454 LCSDZRFZXGHXTH-UHFFFAOYSA-N 334.416 1.985 0 40 EDAB O=C(COCc1ccccc1Cl)N1CCN(c2cnccn2)CC1 45057466 HMZXJEOSTIESDM-UHFFFAOYSA-N 346.818 1.995 0 40 EDAB Cc1ccc(OCC(=O)NCCn2ncc3c2c(C)nn3C)cc1 57279760 XGPVKCYAANBWGL-UHFFFAOYSA-N 327.388 1.582 0 40 EDAB CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)s1 28327510 TTWOFIMPHJLJOB-JOYOIKCWSA-N 332.447 1.230 0 40 EDAB C[C@@H](Sc1nnnn1Cc1ccco1)C(=O)NC[C@H]1CCCO1 11308756 NEFZGCYLWJJLDO-GHMZBOCLSA-N 337.405 1.090 0 40 EDAB CCCn1nc2c(cc1=O)CN([C@@H](C)C(=O)Nc1nccs1)CC2 76064543 FIQZVIAIVAKZIW-NSHDSACASA-N 347.444 1.495 0 40 EDAB C[C@@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)C[C@H]1N1CCOCC1 76051267 MOBVLEWPNVZRPM-ATZDWAIDSA-N 344.455 1.870 0 40 EDAB CCc1ocnc1C(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 76046440 VMBCHNJTPTUIBV-NSHDSACASA-N 333.392 1.866 0 40 EDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)NCCCc1nc2ccccc2[nH]1 11485522 PVBVEUISZQLFQR-NHYWBVRUSA-N 331.420 1.695 0 40 EDAB Cc1nc(-c2c[nH]c(C(=O)N[C@@H](C)CN3CCOCC3)c2)cs1 46888100 LUPGTASCLYNGMS-NSHDSACASA-N 334.445 1.897 0 40 EDAB CC(C)(C)OC(=O)NCC(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1 61458898 UXOOTVCVBMZRLQ-UHFFFAOYSA-N 344.371 1.900 0 40 EDAB CC(C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 3296057 OVGMNTKBSJZZBH-UHFFFAOYSA-N 325.825 1.929 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@]2(C[C@@H](Nc3nccs3)CO2)C1 107787761 QYWDESXAOMTENQ-TZMCWYRMSA-N 345.490 1.918 0 40 EDAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 12751116 HAFALETWBQPXEL-UWVGGRQHSA-N 346.478 1.054 0 40 EDAB CCOC(=O)c1c[nH]c2nc(NCc3ccc(F)cc3)nn2c1=O 100641561 UCCJYXCNDYAFNM-UHFFFAOYSA-N 331.307 1.346 0 40 EDAB Cc1ccnc2nc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)nn12 3446516 CTAPGQPZWONOCP-UHFFFAOYSA-N 331.357 1.089 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cnn(C)c2C)c1C 13297430 XZWAPWDTEJEPJL-UHFFFAOYSA-N 333.344 1.500 0 40 EDAB CCS(=O)(=O)c1ccc(O)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4174793 FZJSPCGJXFQMBH-OWLDWWDNSA-N 347.392 1.497 0 40 EDAB Cc1cc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2N)n[nH]1 9320397 LPQJAHFTZMSLRG-UHFFFAOYSA-N 347.379 1.560 0 40 EDAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NC2CC2)C1=O 6108521 FOHJZVYTFHNNNU-GOSISDBHSA-N 327.384 1.221 0 40 EDAB CCC(NCc1ccc2c(c1)OCO2)=C1C(=O)N(C)C(=O)N(C)C1=O 4337475 MGVJSMCNJCGPTG-UHFFFAOYSA-N 345.355 1.219 0 40 EDAB Cc1nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n1-c1ccccc1 5262231 YJTVZYDZQKZNHH-LBPRGKRZSA-N 333.417 1.887 0 40 EDAB CC(=O)N1CCN(CCNC(=O)Nc2nc3ccccc3s2)CC1 65430291 ZVTMKLLEPRSXFS-UHFFFAOYSA-N 347.444 1.582 0 40 EDAB CC(=O)N1CCc2cc(Nc3ncnc4c3cnn4CCO)ccc21 65479652 OCNQTRSTDYDLIR-UHFFFAOYSA-N 338.371 1.471 0 40 EDAB CC1CCN(CCNC(=O)c2ccc(CS(C)(=O)=O)o2)CC1 65540147 GBDPQOULCWTSHD-UHFFFAOYSA-N 328.434 1.286 0 40 EDAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2F)nc1 65542934 LSGCTXMCLTUYFF-UHFFFAOYSA-N 337.376 1.788 0 40 EDAB COc1ccc(NC(=O)N(C)C[C@H](O)COCCOC(C)C)cn1 65564271 KAHHURCNZHPZPF-AWEZNQCLSA-N 341.408 1.356 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNc2ncnc3c2cnn3C)cc1 14280180 JXOIDKFKDYAYMV-UHFFFAOYSA-N 346.416 1.025 0 40 EDAB O=C1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CCN1 65902840 DZVGGAYLKIIBOB-UHFFFAOYSA-N 334.379 1.988 0 40 EDAB CC[C@](C)(O)CNC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 66158735 GIKLFGGDIGPHOJ-HNNXBMFYSA-N 341.433 1.410 0 40 EDAB CON(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C)n2)cc1 9468897 DLKSWQNUQZQZET-UHFFFAOYSA-N 335.385 1.824 0 40 EDAB C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@@H]2CCN3CC[C@@H](OC1=O)[C@H]23 4817627 BTHCJHQOYFUIMG-ZAHBDFIDSA-N 337.416 1.273 0 40 EDAB CN(C(=O)CN(c1ccccc1F)S(C)(=O)=O)C1CCCC1 20455128 NIAGRGTTZZUAJK-UHFFFAOYSA-N 328.409 1.993 0 40 EDAB COCC(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 96494811 BTGYNCJUGAYBFJ-CYBMUJFWSA-N 344.333 1.959 0 40 EDAB O=C(CSc1ccc(Br)cc1)NCC(=O)NC1CC1 6989965 VZLLWVHHWMPOLS-UHFFFAOYSA-N 343.246 1.936 0 40 EDAB Cc1cc(C)n(C[C@H](C)NC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 75121340 XEQRVMIZCFHDGM-ZDUSSCGKSA-N 331.420 1.693 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)Cc3ccccc3)CC2)cn1 67727657 HYHOYVDVEJVFNS-UHFFFAOYSA-N 340.427 1.631 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c1 7307248 PACVFYGMMNBLLY-OAHLLOKOSA-N 346.408 1.745 0 40 EDAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ncccn2)CC1 7445915 OSNQVEDKROAJCU-CYBMUJFWSA-N 336.399 1.596 0 40 EDAB C[C@@H]1OCC[C@H]1NC[C@H](O)COc1ccccc1Br 90458192 UNSKRDREMSJBRF-GMXVVIOVSA-N 330.222 1.956 0 40 EDAB C[C@H]1CN(C(=O)NCCCNC(=O)c2ccc(F)cc2)C[C@H](C)O1 71897807 AXXNDORPKZGHRU-STQMWFEESA-N 337.395 1.764 0 40 EDAB C[C@@H](Cc1ccc(Br)cc1F)NS(=O)(=O)N(C)C 71889155 LBXUUVDKBAIYIU-QMMMGPOBSA-N 339.230 1.915 0 40 EDAB Cc1nccn1CCCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 71847745 BWVJWVSFWQWAND-QGZVFWFLSA-N 340.427 1.889 0 40 EDAB O=S(=O)(N[C@@H]1COc2ccccc21)c1ccc2c(c1)OCCO2 71844043 PWBGSAXIGSNWPD-CYBMUJFWSA-N 333.365 1.870 0 40 EDAB NC(=O)C1CCN(C(=O)NC2CCN(CC3CCCC3)CC2)CC1 71842086 LBYUSYWYHYIAPB-UHFFFAOYSA-N 336.480 1.548 0 40 EDAB Cc1cc(O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 16222798 SKNBYDQBTHNQLC-WDEREUQCSA-N 331.821 1.719 0 40 EDAB CN(C)c1ccc(CNC(=O)NCC[S@](=O)c2ccccc2)cn1 71909903 YCIORNPXFCHAJE-XMMPIXPASA-N 346.456 1.755 0 40 EDAB O=C(OCC(=O)N1CCCC1)[C@@H](O)c1ccc(Br)cc1 71914240 XJHPSOJVECBYIA-ZDUSSCGKSA-N 342.189 1.648 0 40 EDAB O=C(CN1C[C@H](O)C[C@@H]1C1CCCCC1)NC(=O)NCc1ccco1 71907860 SETRNCHIDAJXKM-GDBMZVCRSA-N 349.431 1.621 0 40 EDAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(C)C1=O 71915575 PFFZVONKEJHCEL-CVEARBPZSA-N 345.443 1.486 0 40 EDAB CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O 8214788 CJDRUOGAGYHKKD-JMCYLCHFSA-N 326.440 1.555 0 40 EDAB in-vitro COCCN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)[C@H](C)C(N)=O 70012518 NDMGJJYBRNCNEM-SNVBAGLBSA-N 337.807 1.713 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](n2cccn2)C1 69348496 LPZKLMJGIRTYLN-AWEZNQCLSA-N 337.383 1.457 0 40 EDAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Cl)cc1 17028997 ZKQJSAVXLWXAOU-UHFFFAOYSA-N 329.743 1.982 0 40 EDAB O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc[n+]([O-])cc1 72001449 JGOZNMWRICUWKA-KRWDZBQOSA-N 326.352 1.972 0 40 EDAB C[C@H](NC(=O)c1cnn(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 69532672 QKZLDQRGYVGENX-ZDUSSCGKSA-N 341.415 1.777 0 40 EDAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1Cc1ccccc1 69558124 IIEYYPNSOVGYQU-HNNXBMFYSA-N 327.384 1.160 0 40 EDAB NC(=O)CN1CCCN(C(=O)c2ccccc2-c2ccccc2)CC1 69567624 QCTTWSRCDOONEN-UHFFFAOYSA-N 337.423 1.987 0 40 EDAB CC1CCN(C[C@@H](O)CNC(=O)c2ccc(Br)o2)CC1 69594511 IGCKZZHGHIORBM-NSHDSACASA-N 345.237 1.865 0 40 EDAB CC(C)CCc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1 98080813 NSCXHMRIWNSJRO-UHFFFAOYSA-N 340.489 1.574 0 40 EDAB COc1ccc([C@H]2C[C@@H]2C(=O)N2CCN(CC(C)(C)O)CC2)cc1 69772111 FHRLTNAWJGVJKK-SJORKVTESA-N 332.444 1.714 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCCN2CC(=O)Nc2nnc(C)s2)n1 69848238 ZVQDXDPZQYKZMC-ZDUSSCGKSA-N 349.464 1.548 0 40 EDAB CC(C)C[C@@H](CNc1cc(-n2ccnc2)ncn1)N1CCOCC1 75145125 PKWQVVQQIGIWOE-HNNXBMFYSA-N 330.436 1.821 0 40 EDAB Cc1nccn1[C@@H]1CCCN(C(=O)c2sccc2-n2cnnn2)C1 69951080 FNBCGODOFWDNJZ-GFCCVEGCSA-N 343.416 1.706 0 40 EDAB O=C(O)c1nccnc1C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 71284912 LBFAAJLBQRKVSH-UHFFFAOYSA-N 344.718 1.661 0 40 EDAB COc1ccccc1[C@@H]1CCN(Cc2nc(-c3nc[nH]n3)no2)C1 97045725 KXTALLOGVXHYQV-LLVKDONJSA-N 326.360 1.853 0 40 EDAB Cn1cnn(CC(=O)NC2(c3ccc(C(C)(C)C)cc3)CC2)c1=O 97048442 FTBHQAHLNATJSX-UHFFFAOYSA-N 328.416 1.685 0 40 EDAB O=C(c1ccnc(N2CCCC2)n1)N1CCC[C@@H](n2cncn2)C1 72292360 MOBRGXIYGRWEML-CYBMUJFWSA-N 327.392 1.146 0 40 EDAB CCc1nnc2n1CCN(CCC(=O)N1CCc3sccc3C1)C2 72267503 PFGRQLQOXIFFIZ-UHFFFAOYSA-N 345.472 1.693 0 40 EDAB CCc1nc(CN(C)[C@H]2CCN(Cc3nc(C4CC4)no3)C2)no1 72300020 FWSJFOWRROIJLB-LBPRGKRZSA-N 332.408 1.599 0 40 EDAB COc1ccc(OC)c(CN2CCN(c3nccn(C)c3=O)CC2)c1 72301808 SWYGFVJZYQVXAI-UHFFFAOYSA-N 344.415 1.120 0 40 EDAB Cn1cc(C(=O)NC2CCN(Cc3cccs3)CC2)ccc1=O 95956387 WJTZRGJEJLLJSK-UHFFFAOYSA-N 331.441 1.841 0 40 EDAB C[C@H]1CN=C(N2CCN(CC[S@](=O)c3ccccc3)CC2)S1 95408957 RYYTYWDQQGTIEI-RCDICMHDSA-N 337.514 1.903 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCCSCC(=O)O)[C@@H]1c1cccs1 95425379 SKKSVITUDFMIOH-TVQRCGJNSA-N 342.442 1.202 0 40 EDAB CN1C[C@@H](C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)CC1=O 89374880 AEPKZRBEWLDRKA-NSHDSACASA-N 338.791 1.596 0 40 EDAB Cc1cc2n[nH]cc2cc1NC(=O)[C@@H](C)n1cnc2c(N)ncnc21 1556190118 SHHNBSUAEGDKCE-SECBINFHSA-N 336.359 1.793 0 40 EDAB CC(C)CC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1 306128226 GURKTEIARBAGRA-INIZCTEOSA-N 345.443 1.865 0 40 EDAB CC(C)n1cnc([C@@H]2CNC[C@@]23CCN(Cc2ccncc2)C3=O)c1 306141831 WHQLDHXIBWUOKN-LPHOPBHVSA-N 339.443 1.965 0 40 EDAB O=C(NCCCc1nc2ccccc2[nH]1)N[C@H]1CCc2ncnn2C1 119291238 OFQWCHWWOMMHRY-LBPRGKRZSA-N 339.403 1.401 0 40 EDAB O=C(NCC[C@H]1CCOC12CN(c1ncc(F)cn1)C2)N1CCCC1 306125996 DIOUFZVAKZSABH-ZDUSSCGKSA-N 349.410 1.407 0 40 EDAB COCCNC(=O)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 33705903 YEWPHVPQLLKUKZ-UHFFFAOYSA-N 333.369 1.326 0 40 EDAB O=C(CN1C(=O)C(=O)N(C2CC2)C1=O)Nc1ccc2c(c1)CCC2 32689045 UPUVTRQAAJSJLA-UHFFFAOYSA-N 327.340 1.067 0 40 EDAB CCN1CCO[C@H](C(=O)NCCNc2ccc3ccccc3n2)C1 73941160 XTJYCCYPTPSFFV-INIZCTEOSA-N 328.416 1.484 0 40 EDAB CCc1cccc2c1N(C(=O)c1coc(S(=O)(=O)NC)c1)CC2 533714731 PPECCBOCEPOOIO-UHFFFAOYSA-N 334.397 1.953 0 40 EDAB CC(C)NC(=O)Cn1c(=O)n(Cc2cccs2)c2ncccc21 72346866 WNWBMEYMKWKQFQ-UHFFFAOYSA-N 330.413 1.832 0 40 EDAB CN(C)c1ncccc1CNC(=O)C(=O)c1cnn(-c2ccccc2)c1 71109984 FKRAPCJVZQXNKQ-UHFFFAOYSA-N 349.394 1.832 0 40 EDAB O=C(Nc1ccc(F)c(F)c1F)C1CN(C(=O)c2cnccn2)C1 70808918 HAEPDAHUHDYNAE-UHFFFAOYSA-N 336.273 1.605 0 40 EDAB Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(-n2cnnc2)c1 70461825 CZXIQCNVRZCRON-UHFFFAOYSA-N 348.410 1.812 0 40 EDAB C[C@@H]1CCc2nn(CCNC(=O)Cc3ccc(F)cc3)c(=O)cc2C1 72342282 KHNNQUBXVFAIKZ-CYBMUJFWSA-N 343.402 1.866 0 40 EDAB COCCn1cc(C(=O)N2CCCO[C@H](CN)C2)c2ccccc21 566406283 IBTNUHBVFLIGIA-CQSZACIVSA-N 331.416 1.478 0 40 EDAB C[C@@H](c1cccc(F)c1)n1cc(C(=O)NCCN2CCCC2)nn1 72341633 OJWYCSJSFNRCIE-ZDUSSCGKSA-N 331.395 1.852 0 40 EDAB CS(=O)(=O)CCC(=O)N1CCC(Nc2ccccc2F)CC1 75805821 JTHRJUCENWPHNB-UHFFFAOYSA-N 328.409 1.663 0 40 EDAB Cc1cc(N(C)C)nc([C@@]2(C)CCCN2C(=O)c2ccn(C)n2)n1 72388448 TUUNIJDXEWQCJQ-QGZVFWFLSA-N 328.420 1.736 0 40 EDAB Cc1nc(CN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)no1 79001603 GNLSLSRYQRZXQI-UHFFFAOYSA-N 325.372 1.817 0 40 EDAB C[C@H]1CCSCCN1C(=O)NC[C@H](c1cnn(C)c1)N(C)C 189069637 CLXJAAQGKHBCGQ-GXTWGEPZSA-N 325.482 1.560 0 40 EDAB O=C(Nc1ccccc1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O 75172517 MSEGGQIXQYFKKP-UHFFFAOYSA-N 339.326 1.976 0 40 EDAB COc1cc2c(cc1S(=O)(=O)NC1CCN(C)CC1)CCCC2 224373440 QRNQDQUQUQEPPB-UHFFFAOYSA-N 338.473 1.947 0 40 EDAB Cc1cccc(NC(=O)NCc2nccc(N3CCOCC3)n2)c1 224171506 TYNPCEQVGZDZNE-UHFFFAOYSA-N 327.388 1.943 0 40 EDAB Cn1nc(C(=O)Nc2ccc(Cl)cc2)c2c1CCS(=O)(=O)C2 41070488 AOKNYNNWFFGVQI-UHFFFAOYSA-N 339.804 1.797 0 40 EDAB O=C(NCCCN1CCOCC1)c1cn(-c2ccc(F)cc2)cn1 227115375 QFVRWXROMCAXJC-UHFFFAOYSA-N 332.379 1.464 0 40 EDAB COc1nccnc1O[C@H]1CCN(C(=O)NCc2cccs2)C1 225389523 WGEXGJOPZXKUFC-NSHDSACASA-N 334.401 1.910 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CCN(c3ncccn3)C[C@H]21 96043349 CYTJPWURSFZBEP-OWCLPIDISA-N 342.399 1.617 0 40 EDAB O=C1NC2(CCN(c3ncc(F)cn3)CC2)C[C@@H]1c1ccncc1 96199548 MCWHNRUJPGWQLF-CQSZACIVSA-N 327.363 1.653 0 40 EDAB O=C(c1ccnnc1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 96186121 ONBVAZYUYMLRHZ-ULQDDVLXSA-N 340.383 1.713 0 40 EDAB CN(c1ccccc1)C1CCN(CC(=O)NC[C@H]2CCCO2)CC1 96455316 LTAKOVXNEDGJIH-GOSISDBHSA-N 331.460 1.882 0 40 EDAB c1ncc2c(c1COCCN1CCCC1)CCN([C@@H]1CCOC1)C2 96067364 XRQPFDRAMBNFNF-GOSISDBHSA-N 331.460 1.841 0 40 EDAB COc1ccc(CN2C[C@@H]3OCCN(C[C@@H]4CCCO4)[C@@H]3C2)cc1 96054345 CJIUMKBXRFPFPD-OTWHNJEPSA-N 332.444 1.759 0 40 EDAB CCOCC(=O)N1Cc2nccn2C[C@H](COc2cccnc2)C1 96188034 YDXFEMZBOXJEBZ-AWEZNQCLSA-N 330.388 1.352 0 40 EDAB CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]12 96083124 NINVLHFTQDRPLA-YTQUADARSA-N 344.459 1.982 0 40 EDAB COCCS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 96415059 FWKASBYBXLASJL-NVXWUHKLSA-N 340.489 1.948 0 40 EDAB O=S(=O)(C1CC1)N1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 96200563 TVJHSQDKHVLBQJ-IRXDYDNUSA-N 336.457 1.986 0 40 EDAB CS(=O)(=O)NCc1cnc2n1CCN(Cc1cccs1)CC2 96197015 AXCDDCXCGJGSKN-UHFFFAOYSA-N 340.474 1.052 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4cccn4C)C[C@H]3C2)cs1 96161529 FXYMNQBFUXCVSI-OKILXGFUSA-N 330.457 1.994 0 40 EDAB NC(=O)c1ccc(NC(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)cc1F 96421925 BMHGIOGZPWWRFX-SGIREYDYSA-N 346.406 1.873 0 40 EDAB Cc1ccc(C(=O)N2C[C@H]3[C@H](CC(=O)NCC4CC4)COC[C@H]3C2)o1 96057179 GIMXDSJEMNMUHK-OAGGEKHMSA-N 346.427 1.839 0 40 EDAB Cc1nnc(N2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)s1 97953667 JRMBNJIEZKYCAO-YNEHKIRRSA-N 338.433 1.384 0 40 EDAB COC(=O)CCNC(=O)Cc1cccc(I)c1 96471745 LLEXJNQDDHGNTN-UHFFFAOYSA-N 347.152 1.513 0 40 EDAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(C)CCN(C)C3)c(=O)[nH]1 96495778 OTDWUDYHRDZRMN-UHFFFAOYSA-N 326.400 1.817 0 40 EDAB O=S1(=O)CC[C@H](c2nn3c(-c4ccsc4)nnc3s2)C1 96231420 ZOGTYPXXJJOEKJ-QMMMGPOBSA-N 326.428 1.816 0 40 EDAB Cc1ccc(N2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)nn1 96249880 JLXBPDFXIXQUJB-GDBMZVCRSA-N 342.399 1.746 0 40 EDAB Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2nccn2C)n1 96186527 NTOQAGYZKBZFHH-IAGOWNOFSA-N 339.443 1.889 0 40 EDAB Cc1ncc(CNC(=O)[C@H]2CC(C(=O)O)=NN2c2ccccc2)s1 585134279 LAPXAEBYGGIAAW-CQSZACIVSA-N 344.396 1.787 0 40 EDAB COc1ccc(-c2noc(C3CCN(S(N)(=O)=O)CC3)n2)cc1 585133258 COPXTHIYRCBXOB-UHFFFAOYSA-N 338.389 1.128 0 40 EDAB COC(=O)[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1c1ccc(O)cc1 585126075 NNRAHPABMVJOLZ-UONOGXRCSA-N 329.356 1.155 0 40 EDAB Cc1cncc(C(=O)N2CCO[C@@H](CCc3cc(C)ncn3)C2)c1 257315462 VBMJJYZOTABAHV-KRWDZBQOSA-N 326.400 1.962 0 40 EDAB CC(=O)N1[C@@H](CNC(=O)c2cc(C)no2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257330626 XPDZWZQYLQVOOV-NYCLONFESA-N 349.431 1.643 0 40 EDAB Cc1ncc(C(=O)N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cn1 257310093 UDQQILISPGEDRX-WMZOPIPTSA-N 345.374 1.969 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2nccs2)C1 257208827 BNTBKGJGHMOUNH-LLVKDONJSA-N 326.447 1.753 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)COc2cccc(F)c2)n1 257312592 UOSLDDZJUJKRBI-OAHLLOKOSA-N 347.346 1.609 0 40 EDAB Cc1ccnc(O[C@H]2CCOC3(C2)CN(Cc2cccnc2)C3)n1 253480822 ZDCYZBSXOYMKCP-INIZCTEOSA-N 326.400 1.992 0 40 EDAB Cn1c(C(=O)N2CC[C@](O)(CN3CCCC3)C2)cc2cc(F)ccc21 257235906 HABCHLNPKUTNGP-IBGZPJMESA-N 345.418 1.990 0 40 EDAB Cc1ncccc1O[C@H]1CCN(C(=O)c2cscn2)CC[C@@H]1O 257219311 DGJOKXQCPZAFLC-ZFWWWQNUSA-N 333.413 1.891 0 40 EDAB C[C@@H]1CCCCN1c1nc(O)c2c(n1)CN(C[C@H]1CCOC1)CC2 257275660 NQHQXPDNBXGVBL-ZIAGYGMSSA-N 332.448 1.956 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)n(C)c1 27087368 BZAMFAYLHQMCRE-JTQLQIEISA-N 339.392 1.563 0 40 EDAB Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(O)C3)cc(C)c1OCC(=O)O 262134471 HUJVBVLRSPHVRS-KBPBESRZSA-N 333.384 1.895 0 40 EDAB COc1ccc2c(c1)C[C@H](C(=O)N1CC[S@@](=O)C[C@H](C)C1)CO2 277665799 UGBOBYSGVGVREV-VFDKELDYSA-N 337.441 1.473 0 40 EDAB COc1c[nH]c(C(=O)NCCn2cnc3cc(Cl)ccc32)cc1=O 604418787 CSUGCQYDELLAOE-UHFFFAOYSA-N 346.774 1.817 0 40 EDAB C[C@@H]1COCCN1C(=O)[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 1615587333 ZEAXOYVPYZJUAN-TZMCWYRMSA-N 342.436 1.242 0 40 EDAB COC1(CNC(=O)C(=O)Nc2cccnc2)C2CC3CC(C2)CC1C3 96123908 RSHHEEQOLQWCLM-UHFFFAOYSA-N 343.427 1.978 0 40 EDAB Nc1cc(CSc2nnnn2-c2ccc3c(c2)OCO3)ccn1 390835459 OFUMEORXPPGRLW-UHFFFAOYSA-N 328.357 1.661 0 40 EDAB O=C(CC1CCC1)N1CCOC[C@](O)(COc2cccc(F)c2)C1 585276810 QQBRQJVMESRWMF-SFHVURJKSA-N 337.391 1.985 0 40 EDAB Cc1cccc(OC[C@@]2(O)CCN(C(=O)COc3cccnc3)C2)c1 585272664 PEYSFCGFVBPIEN-LJQANCHMSA-N 342.395 1.811 0 40 EDAB O=c1[nH]c(CN2CCC[C@@H](OCCO)C2)nc2ccc(Cl)cc12 69982445 ZTXWVJAJZCEUID-GFCCVEGCSA-N 337.807 1.550 0 40 EDAB COc1nccnc1N(C)CC1CCN(C(=O)[C@H]2CCCCO2)CC1 1776009603 LQMXVWQCYAQESD-OAHLLOKOSA-N 348.447 1.729 0 40 EDAB Cc1cnc(OC[C@@H]2CCCN(c3ccc4nnc(C)n4n3)C2)nc1 1776001126 ZSZMGSALDMNRAZ-CQSZACIVSA-N 339.403 1.827 0 40 EDAB Cc1noc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)C2)n1 54674095 KPHWNCNORBFWIG-KBPBESRZSA-N 334.420 1.589 0 40 EDAB C[C@H](NS(C)(=O)=O)C(=O)N[C@H](c1cc2ccccc2o1)C1CC1 73566570 JQFUZLPPZWWKOG-BONVTDFDSA-N 336.413 1.938 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1noc2c1CCCC2 56868459 BBCVYABXDHLUOD-LLVKDONJSA-N 341.433 1.097 0 40 EDAB CC(C)c1cc(NC(=O)CN2CCn3c(nnc3C3CC3)C2)on1 78788018 GKFVYYAKARKTHZ-UHFFFAOYSA-N 330.392 1.721 0 40 EDAB CS(=O)(=O)NCc1nc(-c2cccnc2Oc2ccccc2)no1 75609972 NWFAODZMIPRPCK-UHFFFAOYSA-N 346.368 1.973 0 40 EDAB Cc1nc2ccccc2n1CCCOC(=O)c1ccc(=O)n(C)n1 58314388 XPQOGNQGPFIJSR-UHFFFAOYSA-N 326.356 1.686 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)c2ccccc12 40527134 DTDXWCHIJVPSFY-CQSZACIVSA-N 348.424 1.795 0 40 EDAB Cc1cc(C)n(CCCNC(=O)N2CC[C@](O)(C(F)(F)F)C2)n1 81469680 AYFVTPBJIKDBIL-CYBMUJFWSA-N 334.342 1.599 0 40 EDAB CCNC(=O)N[C@H]1CN([C@H](C)c2nc(C(C)(C)C)no2)C[C@@H]1OC 106671760 ZGGOFLBEGUUYLQ-WOPDTQHZSA-N 339.440 1.446 0 40 EDAB Cc1cc(C)n([C@@H]2[C@@H](O)[C@H](NCc3ccccc3)[C@H]3CO[C@@H]2O3)n1 1534640192 RELSIKRQUUMLJY-HSFUPAIVSA-N 329.400 1.315 0 40 EDAB CCN1OC2(CCN(C(=O)c3ccc(OC)c(F)c3)CC2)CC1=O 1549160777 BHIKJBWRHKYDJU-UHFFFAOYSA-N 336.363 1.993 0 40 EDAB CN(C)CCNC(=O)CC1(N2Cc3ccccc3C2=O)CCOCC1 1565524246 CFXLNBKENCIFFK-UHFFFAOYSA-N 345.443 1.260 0 40 EDAB COc1ccc(CCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1OC 12048403 CLJHTUGXONBTTL-GOSISDBHSA-N 342.395 1.979 0 40 EDAB Nc1cc(-c2ccco2)nn(CC(=O)NCc2cccc(F)c2)c1=O 12146685 STFZWGTYYWRXNT-UHFFFAOYSA-N 342.330 1.541 0 40 EDAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)NCc3cc(C4CC4)[nH]n3)N2C=C1 12147228 QFBVFFKUASDBMW-SFHVURJKSA-N 339.399 1.766 0 40 EDAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H]1CCCNC1=O 12239666 FFBQYBVCNBYSNH-GFCCVEGCSA-N 326.418 1.376 0 40 EDAB CC(C)NC(=O)CCn1c(=O)c2c3c(sc2n(C)c1=O)CCC3 12390057 YGHALSRUCVIQHN-UHFFFAOYSA-N 335.429 1.165 0 40 EDAB CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3C[C@H](C)O[C@H](C)C3)C2=O)cc1 13116425 KKTGZRNDWLAPHX-BFQNTYOBSA-N 345.399 1.386 0 40 EDAB Cc1cc(OC(=O)CCC(=O)Oc2cc(C)oc(=O)c2)cc(=O)o1 16268902 FNNYNHKHJRIYSF-UHFFFAOYSA-N 334.280 1.501 0 40 EDAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)C)cc1Cl 16575262 VIOFKVHWVFMJPJ-UHFFFAOYSA-N 348.852 1.741 0 40 EDAB O=C(NCC[C@@H]1CCCCN1C(=O)Cn1cncn1)c1ccccc1 19748941 DYKTUJGFZSIJOC-INIZCTEOSA-N 341.415 1.479 0 40 EDAB O=C(NCC1CCN([C@H]2CCSC2)CC1)C(=O)Nc1ccccc1 225574552 QQNKWCNUZVLWIA-INIZCTEOSA-N 347.484 1.959 0 40 EDAB O=C(c1cc[nH]n1)N1C[C@@H](O)[C@@]2(C[C@H](c3cccc(F)c3)CO2)C1 643585997 MJKPVFBIHWUMJH-XGWLTEMNSA-N 331.347 1.308 0 40 EDAB O=C(CCn1c(=O)sc2ccccc21)NCCCN1CCOCC1 19891545 IMYZXOXVAQPFKX-UHFFFAOYSA-N 349.456 1.292 0 40 EDAB Cc1c(F)cccc1C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 578126401 XIVBLRPTCKPIGX-ZDUSSCGKSA-N 339.374 2.503 0 40 EDAB CC(C)c1nnc(SCC(=O)NCCCc2ccccc2)n1N 3446746 XSYRAIVVIPVREP-UHFFFAOYSA-N 333.461 1.956 0 40 EDAB C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 4940581 VQDXXXWLBHWUBS-RYUDHWBXSA-N 336.413 1.621 0 40 EDAB O=C([C@H]1CN(c2ncnc3ccc(F)cc23)CCO1)N1CCCCC1 1888914753 PQEWMUVMGBFNKT-MRXNPFEDSA-N 344.390 1.987 0 40 EDAB CC(C)c1noc(CN2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 1889108062 WLXJTENHARQOCD-CYBMUJFWSA-N 338.477 1.980 0 40 EDAB O=C(NC1CCOCC1)NC1CN(c2ncnc3ccsc23)C1 1889114255 OBMAMQBKCUGWDP-UHFFFAOYSA-N 333.417 1.358 0 40 EDAB CCN=c1nc(N2CCN(Cc3ccc(F)c(F)c3)CC2)cc[nH]1 1889128705 GLKUPAFCAXDNIJ-UHFFFAOYSA-N 333.386 1.931 0 40 EDAB COc1cc(=O)n(C)cc1C(=O)N1CC(Oc2ccnc(C)c2)C1 1889134459 QEAUCLFHZOFGJR-UHFFFAOYSA-N 329.356 1.001 0 40 EDAB COc1ccc(CCC(=O)NCCn2c(C)cc(OC)cc2=O)cc1 238813097 AUDZYSKPLUFCAR-UHFFFAOYSA-N 344.411 1.923 0 40 EDAB CCn1nccc1C(=O)N1C[C@@H]2OCCN(c3ccnc(C)c3)[C@H]2C1 2056224882 CMZPQWSPGWORAV-IRXDYDNUSA-N 341.415 1.336 0 40 EDAB COC1(CC(=O)N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CCC1 1565552699 SYYADKWPYQUWDJ-KRWDZBQOSA-N 346.431 1.335 0 40 EDAB C[C@H]1CC[C@H](C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)CC1 1565554963 MEFKYSSQOYECDF-FYNNLBNCSA-N 334.460 1.955 0 40 EDAB Cc1cc(Sc2nc(N(C)C)nc(N(C)C)n2)nc(Cl)n1 4498430 WFNAFZWXZBLMLL-UHFFFAOYSA-N 325.829 1.907 0 40 EDAB Cc1cccc(CN[C@@H]2CCc3onc(CN4CC[C@@H](O)C4)c3C2)n1 2055732615 USRUOYULQVYFGB-GDBMZVCRSA-N 342.443 1.592 0 40 EDAB CC(C)C(=O)N[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2055738737 NDQTWJRGIJPLEN-LLVKDONJSA-N 331.372 1.827 0 40 EDAB O=C(NCCCn1cncn1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 41863199 OUWUGLCVZDKHOD-LLVKDONJSA-N 349.341 1.116 0 40 EDAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cnccn1 206793963 LWKKIOSDIRGBSN-BXUZGUMPSA-N 345.330 1.451 0 40 EDAB O=C(O[C@H]1CCOC1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575615328 CZFFGZBPPVKSHM-WCQYABFASA-N 345.442 1.835 0 40 EDAB Cn1cc([C@H]2CN(C(=O)Cn3ncccc3=O)Cc3ccccc32)cn1 585406284 BUHYWFINNVFGCS-QGZVFWFLSA-N 349.394 1.151 0 40 EDAB Nc1cc(-c2ccccc2)nn(CC(=O)NCc2cccs2)c1=O 36709040 LEQHHURAGMWSTI-UHFFFAOYSA-N 340.408 1.870 0 40 EDAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3cccnc3)C2)n(C(C)C)n1 2332241573 IEYXMLLMJAVPSU-NUEKZKHPSA-N 343.431 1.989 0 40 EDAB Cc1ccc(/C=C/C(=O)N2CCC(NS(C)(=O)=O)CC2)c(C)c1 40025578 XRYZATKIYJMVNT-VOTSOKGWSA-N 336.457 1.857 0 40 EDAB CN(Cc1ccc(Br)o1)C(=O)C1=NN(C)C(=O)CC1 40515254 POBOKKQQXNINGM-UHFFFAOYSA-N 328.166 1.609 0 40 EDAB C[C@@H]1CCc2[nH]c3c(C(=O)NCCNS(C)(=O)=O)cccc3c2C1 30865873 SXSGIJPNXHXUKH-LLVKDONJSA-N 349.456 1.572 0 40 EDAB Cc1ccccc1OCC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 40542806 JAWWNRZGRBEBLQ-AWEZNQCLSA-N 340.445 1.162 0 40 EDAB COC(=O)CCCCC(=O)[C@H]1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 101258470 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348.380 1.965 0 40 EDAB CNC(=O)COc1coc(CN2CCc3ccccc3C2)cc1=O 4583927 BNRQASJXXSPGHM-UHFFFAOYSA-N 328.368 1.323 0 40 EDAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2nccs2)[C@H](C)C1 107497182 LTEPVYDAHXGKLU-MCIONIFRSA-N 338.477 1.337 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)CC1 6702286 HEPJPRFOZWRCOJ-SJORKVTESA-N 338.404 1.409 0 40 EDAB CS(=O)(=O)N(CCCC(=O)NC[C@@H]1CCCO1)c1ccccc1 8495628 ZSYKAVCXPFPRLO-HNNXBMFYSA-N 340.445 1.528 0 40 EDAB CSc1ncc(Cl)c(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 12568369 SZJOSEVZEOCYJS-ZETCQYMHSA-N 335.838 1.111 0 40 EDAB C[C@H](Nc1ccc2c(c1)CCO2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 57896103 IQJKGCRNRLVBKC-SMDDNHRTSA-N 338.429 1.067 0 40 EDAB CC(=O)c1c[nH]c(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1 57984215 HOAYJYZWGMXTKO-UHFFFAOYSA-N 343.387 1.725 0 40 EDAB C[C@H]1C[C@H](C)CN(CCNS(=O)(=O)c2ccc(C(N)=O)cc2)C1 44937488 HFJCEWULJHZIMI-STQMWFEESA-N 339.461 1.042 0 40 EDAB Cc1cc(CN2CCN(S(=O)(=O)N3CCC[C@H](C)C3)CC2)on1 44910693 SFIWIYBBSFWQGP-ZDUSSCGKSA-N 342.465 1.077 0 40 EDAB O=C(CCN1CCN(C(=O)CCCc2ccccc2)CC1)NC1CC1 58324345 OUCWXIYPEILFJT-UHFFFAOYSA-N 343.471 1.822 0 40 EDAB CN(C1CCN(C(=O)COc2ccc(F)cc2)CC1)S(C)(=O)=O 58431818 XXYANMBWUBNFHR-UHFFFAOYSA-N 344.408 1.087 0 40 EDAB COCc1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)s1 36360143 IVYDISFHWXIDJX-BXUZGUMPSA-N 346.412 1.843 0 40 EDAB CN(C)c1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cn1 28874678 UODAOOLHZZHXET-UHFFFAOYSA-N 325.416 1.501 0 40 EDAB Cc1ccccc1CN(Cc1ccccn1)C(=O)CNS(C)(=O)=O 95395684 AAQHZUKDPJPUHF-UHFFFAOYSA-N 347.440 1.468 0 40 EDAB CN(C)C(=O)CN1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 29703850 DAHNCOROCBGSQX-UHFFFAOYSA-N 346.406 1.687 0 40 EDAB CCOC(=O)[C@]1(C(=O)CSc2nc3ccccc3[nH]2)CCC(=O)O1 12322577 AIPWGRFDJKTNAJ-MRXNPFEDSA-N 348.380 1.863 0 40 EDAB O=C(NC[C@H]1CCOC1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 48183542 QXUOZTPPRDXQFA-HZPDHXFCSA-N 348.418 1.760 0 40 EDAB CC(=O)c1c(F)cc(F)cc1OCC(=O)N(C)Cc1cnn(C)c1 95427698 ZENQWPVDLVODGM-UHFFFAOYSA-N 337.326 1.938 0 40 EDAB COC(=O)[C@H](C)CN(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 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1.665 0 40 EDAB CCOC(=O)N[C@]1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O 4653814 FYWAZSMSZMQLCU-GFCCVEGCSA-N 346.265 1.138 0 40 EDAB C[C@@H](c1ccsc1)N1CCN(C(=O)N[C@H](C)C[S@@](C)=O)CC1 97143189 PURUXIIKYBLYBC-IFMYKAFSSA-N 343.518 1.903 0 40 EDAB Cc1cccc(C)c1OCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 6609726 XGAIKAYKDAJKAG-UHFFFAOYSA-N 341.367 1.519 0 40 EDAB O=C(NCCc1cccc(O)c1)N1CCC(C(=O)N2CCCC2)CC1 66234647 ALJWGTBIMCXGPL-UHFFFAOYSA-N 345.443 1.979 0 40 EDAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(O)c(OCC)c1 4786626 OMEUCZQRFORGLR-AWEZNQCLSA-N 345.359 1.629 0 40 EDAB COc1ccc(-c2nc(NCc3ccco3)n(S(C)(=O)=O)n2)cc1 4777292 BEHBXYROZZYBCU-UHFFFAOYSA-N 348.384 1.967 0 40 EDAB CC1CCN(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 4988279 ZKRKMTHQVJKVAT-UHFFFAOYSA-N 341.433 1.014 0 40 EDAB Cc1nc(-c2ccc(N(C)CCN3CCOCC3)nc2)[nH]c(=O)c1C 96429384 XMWQYLZCDMLDIU-UHFFFAOYSA-N 343.431 1.217 0 40 EDAB COc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)c2ccccc12 71871081 WTLLJJFFDIDVSO-CQSZACIVSA-N 328.412 1.987 0 40 EDAB O=C(CN1C(=O)CNC1=O)N1CCC[C@H](c2nc3ccccc3o2)C1 71822691 KQKUCFHHOPSBHJ-NSHDSACASA-N 342.355 1.086 0 40 EDAB O=C(Cc1ccoc1)NS(=O)(=O)N1CCc2sccc2C1 97164126 CYCZUGHQXGHYCT-UHFFFAOYSA-N 326.399 1.303 0 40 EDAB CCN(C[C@@H]1CN(Cc2nccn2CC)CCO1)c1cccnn1 83843630 BLEQPKWYPNYKLR-HNNXBMFYSA-N 330.436 1.420 0 40 EDAB CCc1n[nH]c([C@H]2CN(Cc3cn4c(C)cc(C)nc4n3)CCO2)n1 83830180 ABGDTRUEEDBTTO-CQSZACIVSA-N 341.419 1.600 0 40 EDAB CCN(C)[C@@H](C(=O)OCC(=O)NCC(F)(F)F)c1ccccc1 71921373 OXXPWIPOZWXOKY-CYBMUJFWSA-N 332.322 1.901 0 40 EDAB CC(=O)N1CCN(C(=O)CN2CCCCC[C@H]2c2ccco2)CC1 71915041 SLNMEQNOUNIOGV-INIZCTEOSA-N 333.432 1.887 0 40 EDAB C[C@H]1COCCN1S(=O)(=O)c1ccc(N2CCOC2=O)cc1 71920968 QDIKHMREQKENBR-NSHDSACASA-N 326.374 1.053 0 40 EDAB COCCN(CC(=O)OC)C(=O)c1cc(C)n(-c2cccnc2)c1C 71905665 UDWLASLCHYIBKW-UHFFFAOYSA-N 345.399 1.751 0 40 EDAB COCCN1CCN([C@H](C)C(=O)N2CCSc3ccccc32)CC1 70003890 PYPBNBCHVTYRON-OAHLLOKOSA-N 349.500 1.778 0 40 EDAB COC(=O)C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(SC)cc1 70003866 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C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC(=O)Nc2ccc(F)cc2)C1 72074439 KLEUBLBIWWRBLW-VXGBXAGGSA-N 343.424 1.577 0 40 EDAB CCN1CCCC[C@H]1C(=O)N1CCCN(Cc2nccn2CC)CC1 69655925 VDXNTLUIKLDVPS-KRWDZBQOSA-N 347.507 1.812 0 40 EDAB C[C@@H](OC(=O)[C@H]1CCCS1)C(=O)NC(=O)NC1CCCCC1 72312544 OSZVNVKITRTUQX-ZYHUDNBSSA-N 328.434 1.972 0 40 EDAB COc1ccc([C@@H](CNC(=O)c2ccc(=O)[nH]c2)N2CCCC2)cc1 17911608 GERUKASEVCJCJX-QGZVFWFLSA-N 341.411 1.950 0 40 EDAB CCN(CC)C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20460615 JDUNAPCHJFIBCB-ZDUSSCGKSA-N 346.836 1.735 0 40 EDAB COc1ccc(NC(=O)NCc2cnn(C)c2)cc1-n1nnnc1C 69841619 MKHPBVCPCXCRCR-UHFFFAOYSA-N 342.363 1.035 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(C(N)=O)cc3)C2)n1 69847229 KBMBSYHGACPMFT-MRXNPFEDSA-N 327.432 1.906 0 40 EDAB COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CCC(=O)N1 69920404 MFCYWDSZPIDYMV-CYBMUJFWSA-N 328.771 1.733 0 40 EDAB Cc1nc(SCC(=O)NC[C@H]2CCCO2)c(C(N)=O)c(C)c1C 8705327 QPDDVCOOGPHEJT-GFCCVEGCSA-N 337.445 1.493 0 40 EDAB NC(=O)[C@H]1CCCN1C(=O)Cc1ccc(OCC(F)(F)F)cc1 97083147 DINGQSXCNFGWIH-GFCCVEGCSA-N 330.306 1.647 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1ccccc1N1CCOCC1 72278865 FGPDKRWPGIESNH-CQSZACIVSA-N 326.400 1.465 0 40 EDAB COc1cccc(C[C@@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1 72281544 CLKODCPFVSSJLE-OLZOCXBDSA-N 342.461 1.701 0 40 EDAB CN1C[C@@H](C(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1=O 88267500 XPWNEDYHCXZVAE-AWEZNQCLSA-N 325.368 1.313 0 40 EDAB Cc1noc(C)c1CNC(=O)NCc1ccc(S(C)(=O)=O)cc1 95955222 AARUCYYDFNVJCO-UHFFFAOYSA-N 337.401 1.694 0 40 EDAB CC(C)[C@H](O)CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1ncon1 95981253 YRYAGNFXGQQHHY-OCCSQVGLSA-N 325.315 1.960 0 40 EDAB COc1ccc(/C=C/C(=O)N2CCOC[C@H]2C[C@@H](C)O)c(OC)c1 95944617 OUWIJHTUESCNPP-RLWBPUTGSA-N 335.400 1.715 0 40 EDAB CSCC1(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCC1 95973414 DRPDMKPYDOGSHS-AWEZNQCLSA-N 332.535 1.324 0 40 EDAB O=C([C@@H]1CCCN(Cc2cccc3cn[nH]c23)C1)N1CCOCC1 95982408 NAEOUMAGRBMYSU-MRXNPFEDSA-N 328.416 1.634 0 40 EDAB CCn1ccnc1CN1CC[C@H](N(C)Cc2noc(C3CC3)n2)C1 89309992 MDNKBHSWORXBDG-AWEZNQCLSA-N 330.436 1.870 0 40 EDAB Cc1nccc(CNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)n1 75123120 UAGJMHTVMITLRS-UHFFFAOYSA-N 327.266 1.814 0 40 EDAB CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cnn(CC(N)=O)c1 75137933 OVDFSLDMCAMKGQ-UHFFFAOYSA-N 343.387 1.605 0 40 EDAB CCOCCN1CCN(C(=O)c2cccc3c2OCCO3)C[C@H]1C 89986989 XMIKVDQJAPFZTI-CQSZACIVSA-N 334.416 1.641 0 40 EDAB CC1CCN(Cc2ccccc2CNC(=O)[C@@H]2CNC(=O)N2)CC1 89929979 OZYCBVJDMYJARY-INIZCTEOSA-N 330.432 1.216 0 40 EDAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nnc2n1CCC2 89913795 IXSRGEAGVYHVEL-NWDGAFQWSA-N 343.387 1.043 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)CCn3nc(C)cc3C)CCO2)n1 76046052 XUZIDEQMNTUVAU-AWEZNQCLSA-N 346.435 1.561 0 40 EDAB Cc1cc(F)c(CNC(=O)N2CCS(=O)(=O)CC[C@@H]2C)c(F)c1 1548453518 JDIPFLWORAKOGP-NSHDSACASA-N 346.399 1.992 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NCc2cn3ccccc3n2)c1 20485364 TWTXKJGGPVAYLS-UHFFFAOYSA-N 347.396 1.830 0 40 EDAB Cc1oc(-c2cccs2)nc1C(=O)N1CC[C@@H](c2nn[nH]n2)C1 1558077937 FWYGXAINKVVSBL-SECBINFHSA-N 330.373 1.854 0 40 EDAB CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2C(=O)C2CCOCC2)n1 72388496 HALDAGNIEWGSNY-GOSISDBHSA-N 346.431 1.409 0 40 EDAB COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2ccccc2)cc1 72321558 MCOGZUVPTHRFFV-BRSBDYLESA-N 327.380 1.703 0 40 EDAB biogenic,in-vitro O=C(NCCc1ccncc1)[C@H]1COCC(=O)N1Cc1ccccc1 75164260 HFSDBJDYIMSSCP-QGZVFWFLSA-N 339.395 1.168 0 40 EDAB CC(=O)N1CCO[C@H](c2cc(NCc3ccccn3)nc(C)n2)C1 72387141 XALOAQFNJKLBPG-INIZCTEOSA-N 327.388 1.712 0 40 EDAB Cc1nc(NCc2ccccn2)cc([C@@H]2CCN2S(C)(=O)=O)n1 72387143 MXSYQBIRFLNZHG-AWEZNQCLSA-N 333.417 1.499 0 40 EDAB O=C(O)CSC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12 31852922 KHEZTLWXTCNROH-UHFFFAOYSA-N 339.376 1.719 0 40 EDAB CCN1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 49659630 RXSBTKBSBUEGKX-UHFFFAOYSA-N 337.445 1.243 0 40 EDAB COc1ccc(C2(C(=O)N3C[C@@H](O)[C@@H](CO)C3)CC3(CCC3)C2)cc1 575603391 DWFNTSUSXUMATJ-RHSMWYFYSA-N 345.439 1.709 0 40 EDAB Cc1cc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C)o1 583616394 NCUREKRXPGUMOM-MJBXVCDLSA-N 329.418 1.447 0 40 EDAB CCn1nc(C)c(C(=O)N2CCC[C@H](CC(N)=O)CC2)c1Cl 583621349 UHBVBLVOOJTDMP-NSHDSACASA-N 326.828 1.983 0 40 EDAB CN(C)CCOC[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)Cc2nnn(C)c21 96198534 GRMMASUGZOYRKB-CABCVRRESA-N 347.463 1.175 0 40 EDAB Cc1cnc(N2CCO[C@@H]3[C@@H](CNc4ncccn4)CC[C@H]32)nc1 96082577 AJPDZFZQEOINFJ-RBSFLKMASA-N 326.404 1.671 0 40 EDAB O=C(c1ccoc1)N1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 96249738 SZKRCRZOQYPMFD-UKRRQHHQSA-N 328.372 1.437 0 40 EDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)N(C)Cc2nnc(C3CC3)n2C)C1 96453032 KPYLXMNVLLONCI-RYUDHWBXSA-N 341.481 1.347 0 40 EDAB CNc1ncc(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)s1 95449251 ZXHLHQBSMXCIRD-UHFFFAOYSA-N 348.428 1.946 0 40 EDAB Cn1cc(CC(=O)N2CC(N3C(=O)CCC3=O)C2)c2ccccc21 238829212 FMTFYISPASBUDR-UHFFFAOYSA-N 325.368 1.081 0 40 EDAB C[C@H]1CN(C(=O)COCc2nc(-c3ccncc3)no2)C[C@H](C)O1 96182047 XPMWMULMRNMLJB-RYUDHWBXSA-N 332.360 1.284 0 40 EDAB O=C(c1cnccn1)N1CCOC[C@H]1c1nccc(NC2CCC2)n1 96219072 SKKLSGSQPIDVAA-AWEZNQCLSA-N 340.387 1.445 0 40 EDAB Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)[C@H]1CCC[C@H](N)C1 582526798 ILGQOTUWQFVLAU-ILXRZTDVSA-N 336.505 1.907 0 40 EDAB Cn1cc(CN2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)cn1 96239712 UKSYNBSWEROOBG-MRXNPFEDSA-N 348.401 1.948 0 40 EDAB CCc1ccc(S(=O)(=O)N2Cc3c(CN(C)C)nn(C)c3C2)cc1 96259087 QSBWOVDAMGWBHN-UHFFFAOYSA-N 348.472 1.749 0 40 EDAB Cc1noc(C)c1CN1CCO[C@]2(CCCN(c3ncccn3)C2)C1 96226468 WMBSYCZEXYYKRX-GOSISDBHSA-N 343.431 1.953 0 40 EDAB CC(C)(C)C1CC(NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)C1 582890440 OEVWRHHKGIZKFL-SSDMNJCBSA-N 335.452 1.942 0 40 EDAB CNC(=O)c1nn(Cc2sc(C)nc2C)c(=O)c2ccccc12 96424866 WLHOVVXOTIDBSS-UHFFFAOYSA-N 328.397 1.878 0 40 EDAB CN(C)C(=O)N1CC[C@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@H]2C1 96107163 WOMKBFHXHANFSR-CVEARBPZSA-N 349.406 1.557 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)C1CCCC1)CC2 96254846 GDNOYVYNOGYSBH-UHFFFAOYSA-N 344.459 1.739 0 40 EDAB CCOCCN1CC[C@H]2O[C@@H](C(=O)NCc3cnc(C)cn3)CC[C@H]21 96065524 BDFVNYLLCFHUBN-BRWVUGGUSA-N 348.447 1.060 0 40 EDAB CCc1nnn(-c2ccc(NC(=O)CSc3cnn[nH]3)cc2)n1 98086796 SGCQYWYEYDUARF-UHFFFAOYSA-N 330.377 1.074 0 40 EDAB Cc1noc(C)c1CN1CCC[C@@]2(CCCN2S(C)(=O)=O)C1 96215106 NINRVTDRRSVRRU-OAHLLOKOSA-N 327.450 1.681 0 40 EDAB CN(C)c1nc2c(s1)CN(C(=O)Cn1nnc3ccccc31)CC2 1593857525 XRCMNFREOVJMFE-UHFFFAOYSA-N 342.428 1.539 0 40 EDAB CN(Cc1nc(N)nc(N(C)C)n1)Cc1nc2c(s1)CCCC2 96448008 YLXMGIWXEROULQ-UHFFFAOYSA-N 333.465 1.487 0 40 EDAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)C2 97198129 VYXNBJABILHRKN-GJZGRUSLSA-N 338.411 1.676 0 40 EDAB O=C(CO[C@H]1CCOC2(C1)CN(Cc1cccnc1)C2)N1CCCC1 247742171 OVHPVDOCELCQHH-KRWDZBQOSA-N 345.443 1.454 0 40 EDAB CCn1ncc(CNC(=O)Nc2ccc(Cn3cccn3)cc2)n1 528942590 IQDCBQYXUCMNDZ-UHFFFAOYSA-N 325.376 1.865 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 257281465 OPHXYEOWNJCKJC-ZDUSSCGKSA-N 331.376 1.067 0 40 EDAB COC(=O)[C@H]1CCCN(C(=O)c2occc2C(C)C)[C@@H]1C(=O)OC 252496594 PMLGCWAHTOXQEU-STQMWFEESA-N 337.372 1.970 0 40 EDAB Cn1ccnc1-c1cc(C[C@@H]2CCN(C(=O)c3ccncc3)C2)ncn1 257224299 FBEVBYCWAJSXGO-AWEZNQCLSA-N 348.410 1.977 0 40 EDAB CO[C@H]1CCN(C(=O)c2ccc(OCCN)cc2)C[C@@]12CCCO2 257298890 RNROZKRRLMTLSF-WMZOPIPTSA-N 334.416 1.434 0 40 EDAB Cc1cc(N)cc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)n1 257255500 KHSWBFZJNURJKU-CYBMUJFWSA-N 339.442 1.796 0 40 EDAB C[C@@H](C(=O)N1CCOCC1)N1CCN(CCSC(C)(C)C)CC1 252501325 UECXJXRVRNVEJB-HNNXBMFYSA-N 343.537 1.383 0 40 EDAB COc1nsc(CNC(=O)Nc2cc(C)on2)c1Br 585135712 XRWWKPLGQJUJLR-UHFFFAOYSA-N 347.194 2.532 0 40 EDAB CC(=O)N1CC[C@@H](CNS(=O)(=O)c2cc(F)cc(Cl)c2)C1 585115045 KCTKGFVNSJEHQJ-JTQLQIEISA-N 334.800 1.626 0 40 EDAB C[C@H]1CN([C@H](C)CNC(=O)CNC(=O)CC(C)(C)C)C[C@@H](C)O1 65054790 OVWPMURXLFCQOG-MCIONIFRSA-N 327.469 1.153 0 40 EDAB Cc1nc(C[C@@H]2CCCN(C(=O)C(C)C)C2)cc(C(=O)N(C)C)n1 257273345 NGEFBIFQXAKTTM-AWEZNQCLSA-N 332.448 1.924 0 40 EDAB Cc1nc(CC(=O)N2CCOC[C@@H]2CCc2nccnc2C)cs1 257207516 BICRFBPOSIQIGG-HNNXBMFYSA-N 346.456 1.953 0 40 EDAB CNc1cncc(C[C@H]2COCCN(Cc3cccnc3NC)C2)n1 257340619 ZGWYXEIHALMISP-CQSZACIVSA-N 342.447 1.646 0 40 EDAB Cc1cc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)[C@@](C)(O)CO3)on1 257338342 YWYOOYYXAPWRHI-HOCLYGCPSA-N 337.420 1.059 0 40 EDAB COc1cccc([C@H]2CN(C(=O)c3cnn(C)c3)[C@@H]3CCNC[C@H]23)c1 257255017 KFTSIUSEKSXENP-KZNAEPCWSA-N 340.427 1.646 0 40 EDAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1ccc(-n2ccnc2)nc1 257323911 WMIWDWUZSPPMCJ-AWEZNQCLSA-N 338.371 1.513 0 40 EDAB Cc1cc(C)n(CCCC(=O)N2CCC3(CC2)OCCC[C@H]3O)n1 257314413 UWVLQMMUCGLZSI-MRXNPFEDSA-N 335.448 1.813 0 40 EDAB CCCn1cc(Cl)c(C(=O)N[C@@H]2CCCC[C@@H](OC)[C@@H]2O)n1 257222293 DSSJDSAOVLMIGK-YRGRVCCFSA-N 329.828 1.995 0 40 EDAB CN(C)CCN(C)C(=O)c1ccccc1-n1cc(CN(C)C)cn1 257336868 YQIUJBBYEWASBK-UHFFFAOYSA-N 329.448 1.568 0 40 EDAB COC[C@@H](NC(=O)N1CCO[C@H](c2cnn(C)c2)C1)c1ccc(C)o1 267648498 VTVGBYMUWQAZHM-ZBFHGGJFSA-N 348.403 1.792 0 40 EDAB CCN(CC)c1ccc(C(=O)NC[C@H]2CCNCC2(F)F)cn1 1615051099 RVELTJPUZUSNFF-CYBMUJFWSA-N 326.391 1.902 0 40 EDAB CN1C(=O)C[C@H](C(=O)NCC(=O)C2(C)CCCC2)[C@H]1c1nccn1C 1615591246 SEZMAQPUPKVVNR-WFASDCNBSA-N 346.431 1.205 0 40 EDAB Cn1cnc(C(=O)N2Cc3cccn3C[C@H](Oc3ccccn3)C2)c1 575406037 VQTOCQGRBCYPJJ-HNNXBMFYSA-N 337.383 1.720 0 40 EDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)c2cccc(F)c2Cl)C1 585278157 LZVGDZVGRRGDFJ-INIZCTEOSA-N 342.798 1.972 0 40 EDAB O=C(CCCn1ccnc1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585272272 MROGTZZCZCSUBQ-SFHVURJKSA-N 347.390 1.845 0 40 EDAB CCc1c[nH]c2ncnc(N3CCC(CNS(C)(=O)=O)CC3)c12 893823420 YADFFSCTFPPSKD-UHFFFAOYSA-N 337.449 1.286 0 40 EDAB NC(=O)C1CCN(C(=O)NCc2ccccc2CN2CCCC2)CC1 53493221 HXJBWMGNCFYQGJ-UHFFFAOYSA-N 344.459 1.689 0 40 EDAB Cc1nnc(CN2CCN(C[C@H](O)c3ccc(F)cc3)CC2)n1C 75605478 YMNUYLSJSMZRKT-INIZCTEOSA-N 333.411 1.114 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H]3COc4ccccc4C3)CCO2)n1 76044959 PWAUBLMGCYSQMF-UKRRQHHQSA-N 328.372 1.264 0 40 EDAB C[C@@H](N[C@@H]1COc2ccccc2C1)c1ccc(S(N)(=O)=O)cc1 91311901 HXWBHHFOSVNHTN-DOMZBBRYSA-N 332.425 1.988 0 40 EDAB CN(C)c1cccc([C@H]2CCCN2C[C@@H](O)CN2CCCC2=O)c1 107145025 AWZQNDQEHASRHR-QZTJIDSGSA-N 331.460 1.873 0 40 EDAB CN1CCc2c(sc3nc(Nc4ccccc4)n(N)c(=O)c23)C1 5059783 PNYKDEUPHBQKLO-UHFFFAOYSA-N 327.413 1.903 0 40 EDAB C[C@@H](NC(=O)[C@@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)CCC2 12194950 DPHUBNDNMQZDOO-WBMJQRKESA-N 334.441 1.553 0 40 EDAB COCCCNC(=O)c1nnn2c1nc(N)c1cc(Cl)ccc12 16940794 LLYIJALZVBGFCX-UHFFFAOYSA-N 334.767 1.279 0 40 EDAB Cc1c([C@H]2CCCN(C(=O)c3cccnc3)C2)n2c(nc1=O)CCC2 19554858 OFLMKURKAKXFTI-HNNXBMFYSA-N 338.411 1.913 0 40 EDAB Cc1nnsc1C(=O)N1CCO[C@@H](C(=O)N2CCCCCC2)C1 19747373 YFZXIRYPIIRYTM-GFCCVEGCSA-N 338.433 1.090 0 40 EDAB C[C@@]1(C(=O)O)CCC[C@@H]1NS(=O)(=O)c1cnn(-c2ccccc2)c1 548223520 ZTAOKGHBLGJEEC-GOEBONIOSA-N 349.412 1.794 0 40 EDAB O=C(O)[C@H]1CCCN1C(=O)CCn1cc(Br)ccc1=O 33510827 UPAFOEQGWBYIJQ-SNVBAGLBSA-N 343.177 1.077 0 40 EDAB O=C([C@@H]1CN(c2ncccc2C(F)(F)F)CCO1)N1CCCC1 1889096188 BYNWWCWKMFIKNI-LBPRGKRZSA-N 329.322 1.928 0 40 EDAB COc1nc(OC)nc(N2CCC[C@@H](COc3ncc(C)cn3)C2)n1 1889125248 SLULUUSTWRDGIC-GFCCVEGCSA-N 346.391 1.283 0 40 EDAB CCN=c1nc(N2CCN(c3ncnc4ccccc34)CC2)cc[nH]1 1889175164 DMQFYUBSXQXMDE-UHFFFAOYSA-N 335.415 1.600 0 40 EDAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCOCC2)C1=O 23425845 BKBAVUPWNZUBTL-CYBMUJFWSA-N 338.791 1.621 0 40 EDAB CNC(=O)Cn1cc(OC)c(=O)cc1CSc1nnc(C)s1 9814909 NJZJCWXOJUNEJL-UHFFFAOYSA-N 340.430 1.055 0 40 EDAB O=C(c1cocn1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1 2055781482 KSXRXJQDZDJDSJ-UHFFFAOYSA-N 343.387 1.029 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCc3onc(CN4CCOCC4)c3C2)no1 2055730244 PDZMMSNYXKWNMM-LBPRGKRZSA-N 346.387 1.091 0 40 EDAB CN(C)c1ccc(NC(=O)C(=O)NC[C@](C)(O)Cc2ccco2)cc1 206621262 QBWHUNWJSZNNLT-GOSISDBHSA-N 345.399 1.394 0 40 EDAB O=C(O)CCCCCNC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2095716 NARDOPZUVMARJH-KGLIPLIRSA-N 347.415 1.622 0 40 EDAB biogenic O=C(NCCNc1ccc(C(F)(F)F)cn1)c1ccc[nH]c1=O 40087280 ZVTDEVASZATELP-UHFFFAOYSA-N 326.278 1.631 0 40 EDAB CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 30496463 ZWICVSOZVZYPKO-UHFFFAOYSA-N 348.428 1.368 0 40 EDAB CC(=O)c1ccc(OC[C@H](O)CSc2nnnn2C(C)C)cc1 30739199 PSYCHYLVIVDEGS-ZDUSSCGKSA-N 336.417 1.989 0 40 EDAB COc1c(C)cnc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)c1C 50448239 LVHVQQPYTVOCLC-UHFFFAOYSA-N 348.447 1.717 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)NCc1cccc(OC(F)F)c1 50640341 PLFKONDVOGBVBK-LLVKDONJSA-N 347.387 1.694 0 40 EDAB COc1cc(OC)c2[nH]c(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2c1 40489978 HSANOBIWVARHBR-JTQLQIEISA-N 338.385 1.102 0 40 EDAB O=C(Cn1ncc2ccccc2c1=O)N[C@H]1CCN2CCCC[C@H]12 40534768 GUAQTEPKIQKUGJ-JKSUJKDBSA-N 326.400 1.140 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)N[C@H]1CCS(=O)(=O)C1)CO2 40540220 LYHQRQNQQBALLP-ZDUSSCGKSA-N 337.397 1.164 0 40 EDAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O 32689068 GXEIBLFVOCYLSF-UHFFFAOYSA-N 335.747 1.540 0 40 EDAB Nc1nccnc1C(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 32830069 QDGDQLQBFGKMQG-UHFFFAOYSA-N 325.372 1.476 0 40 EDAB CN(C)c1cccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 32912864 TUZHOBTXLFTMGG-UHFFFAOYSA-N 338.411 1.941 0 40 EDAB CN(C)c1nc(N)nc(CSCCC(=O)Nc2ccccc2)n1 23079149 CMMSCPCUZCIQQO-UHFFFAOYSA-N 332.433 1.782 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2cc3c(F)cccc3s2)CC1 23003709 UTADHOQWKDCEIE-UHFFFAOYSA-N 335.404 1.720 0 40 EDAB O=C(Cn1cnc2sccc2c1=O)NCc1cn2ccccc2n1 23792296 MKYAYFXUPLIATR-UHFFFAOYSA-N 339.380 1.422 0 40 EDAB NC(=O)CCCNC(=O)COc1ccc(F)cc1Br 42927774 CRTNOYRCZKZNQS-UHFFFAOYSA-N 333.157 1.349 0 40 EDAB C[C@@H]1[C@@H](NC(=O)COC(=O)CCN2C(=O)CCC2=O)CCC[C@H]1C 105936152 SNGOJSWZHCIMEL-AGIUHOORSA-N 338.404 1.010 0 40 EDAB COc1ccc(CCNC(=O)C(=O)NCc2ccccc2)cc1OC 3057675 FFHXZVUORQAZPL-UHFFFAOYSA-N 342.395 1.679 0 40 EDAB CCN1C[C@H](CN(C)C(=O)NC[C@H]2CCOC2)Oc2ccccc21 106568085 NWJALCYUETYPFH-CABCVRRESA-N 333.432 1.952 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)n1 78892923 ZWMOCNLDILWBTG-LBPRGKRZSA-N 331.424 1.508 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C(=O)c3ccnc(C4CC4)n3)C2)n[nH]1 78901427 FFIBJKPARSQAFH-NSHDSACASA-N 340.387 1.196 0 40 EDAB CC(C)c1cc(N2CCC[C@H](O)C2)nc(CN2CCC[C@@H](O)C2)n1 79111198 PRASUHBJPDNQFA-CABCVRRESA-N 334.464 1.518 0 40 EDAB COc1ncc(NC(=O)N2CCc3sccc3C2)cc1C(N)=O 79110904 YUDKINOPDOXJCT-UHFFFAOYSA-N 332.385 1.841 0 40 EDAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)OC)nnc12 3375610 WAGDQMSTKYORQH-UHFFFAOYSA-N 332.385 1.719 0 40 EDAB COC(=O)[C@H]1CN(C(=O)NC(C)C)CCN1C(=O)c1cccs1 4270779 OYUFIGWGOAWKDQ-LLVKDONJSA-N 339.417 1.166 0 40 EDAB biogenic,in-vitro Nc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 7468383 TXJSQZSRJUXNIP-UHFFFAOYSA-N 325.368 1.994 0 40 EDAB CCCCNC(=O)CN(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 43801875 CMVQTDYLQXVSBP-CYBMUJFWSA-N 344.502 1.654 0 40 EDAB COc1cccc(N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)c1 44289109 RHHFKANUSIXPEF-AWEZNQCLSA-N 331.416 1.212 0 40 EDAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)N1CCCCCC1 10031861 GKEUWTOXJHSZAX-OAHLLOKOSA-N 329.400 1.552 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)c2c(c1)OCCO2 44720008 OBPCKQXCQUYSKK-VIFPVBQESA-N 345.804 1.276 0 40 EDAB CC(C)C[C@@H]1COCCN1Cc1cnc(N2CCN(C)CC2)nc1 93340215 XXDURLRHBUOMGQ-QGZVFWFLSA-N 333.480 1.475 0 40 EDAB Cn1ccnc1[C@](O)(CC(=O)Nc1ncccc1O)C(F)(F)F 44896062 IKRCQYOHIAODDE-GFCCVEGCSA-N 330.266 1.299 0 40 EDAB O[C@H](COCc1cccs1)CN1CCN(Cc2ccccn2)CC1 44892922 BGPUEJSUHANRTD-KRWDZBQOSA-N 347.484 1.838 0 40 EDAB C[C@H](NC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCCO1 44970935 SSWUPAOYWOAMJQ-SMDDNHRTSA-N 330.388 1.632 0 40 EDAB CCS(=O)(=O)Nc1ccccc1C(=O)NCCNc1ncccn1 58341872 GRTSLOYKXXYUSU-UHFFFAOYSA-N 349.416 1.080 0 40 EDAB C[C@@H]1CCCN(C(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)C1 57355326 XLOCWRJHUZDJBC-CYBMUJFWSA-N 334.420 1.293 0 40 EDAB Cc1cc(NC(=O)N2CCO[C@@H](C(N)=O)C2)ccc1Br 51583502 WTQMOUMIVQHAED-LLVKDONJSA-N 342.193 1.476 0 40 EDAB O=C(COc1cccc(Cl)c1)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 10927096 MCOWMGRKQRFCEW-UHFFFAOYSA-N 345.742 1.887 0 40 EDAB CCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1C 28207582 ZXYWXRXTWUUCNK-UHFFFAOYSA-N 328.434 1.540 0 40 EDAB O=C1C[C@H](C(=O)N2CCN(c3nccs3)CC2)CN1CC1CC1 28937769 KDGYXSSFKHZSBO-ZDUSSCGKSA-N 334.445 1.050 0 40 EDAB COc1ccc(OC)c(CN2CCN(c3cc(C)nc(N)n3)CC2)c1 45724030 TZQOSHPGEASQSL-UHFFFAOYSA-N 343.431 1.707 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O 46884855 VIALJKVPZDLZCH-GDBMZVCRSA-N 345.443 1.415 0 40 EDAB Cc1ccc(-c2cc(C(=O)Nc3cnn(C)c3C(N)=O)no2)cc1 2798021 XYVRDPVPLDOGAH-UHFFFAOYSA-N 325.328 1.735 0 40 EDAB O=C1O[C@H](C(=O)NCc2nncn2-c2ccccc2)Cc2ccccc21 47908966 LCSXRDWVBGOUNH-INIZCTEOSA-N 348.362 1.665 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(S(C)(=O)=O)cc1 46922073 SLYXWTFSKDAFGV-AWEZNQCLSA-N 340.445 1.658 0 40 EDAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NC[C@H]1CCS(=O)(=O)C1 48092646 XEHHUVVIEJMQIN-LLVKDONJSA-N 339.461 1.680 0 40 EDAB C[C@@H](CN1CCOCC1)NC(=O)c1ccn(-c2ccc(F)cc2)n1 47151934 QXZLDBHLOYJPOG-ZDUSSCGKSA-N 332.379 1.462 0 40 EDAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(F)cc3F)cnc21 12778119 KIGQHWBKGVRKNO-UHFFFAOYSA-N 346.293 1.635 0 40 EDAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)NC1CCCC1 3443530 KPVFTVIMFCFHLQ-UHFFFAOYSA-N 329.356 1.036 0 40 EDAB O=C(OCc1nnnn1-c1ccccc1)c1n[nH]c(=O)c2ccccc12 12903140 NIFYDYBPKNIICV-UHFFFAOYSA-N 348.322 1.256 0 40 EDAB CN1C(=O)N(Cc2cc(=O)n3ccsc3n2)C(=O)C12CCCCC2 6005931 AUMWMDIAWDWIAD-UHFFFAOYSA-N 346.412 1.853 0 40 EDAB CC(C)CNC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 39555132 QQTCDGYSSFKZJY-UHFFFAOYSA-N 343.431 1.406 0 40 EDAB Cc1cc(C(=O)NCCCN2C(=O)C(=O)N(C)C2=O)c(C)n1C(C)C 65591171 DIWAHCKZXFAOHT-UHFFFAOYSA-N 348.403 1.226 0 40 EDAB NS(=O)(=O)c1cnn(CCC(=O)NCCCC2CCCCC2)c1 65587220 NBTHNCBRMMUNQA-UHFFFAOYSA-N 342.465 1.397 0 40 EDAB CC(C)(C)NC(=O)CN1CCN(C(=O)NCCc2ccccc2)CC1 14181967 CXXZSUIXFIQZRG-UHFFFAOYSA-N 346.475 1.471 0 40 EDAB COC(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)nn2C)cc1 14137822 JATQJUWBKVXUFZ-UHFFFAOYSA-N 331.328 1.311 0 40 EDAB Cc1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)s1 4575631 LVOWQLPIGLXNGI-UHFFFAOYSA-N 343.408 1.979 0 40 EDAB CN1C(=O)N(C)C(=O)C2(Cc3cc(C=O)ccc3N3CCC[C@@H]32)C1=O 9341954 UZYVEKCSCZWADY-CQSZACIVSA-N 341.367 1.061 0 40 EDAB Cc1noc(C)c1CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 6627935 JZNSFRLZPCVWEP-KRWDZBQOSA-N 343.339 1.987 0 40 EDAB O=C1CSCN1CC(=O)N1CCC[C@H]1c1cccc2c1OCCO2 66771586 UPHKSZIEVTVPHW-ZDUSSCGKSA-N 348.424 1.654 0 40 EDAB CCCNC(=O)NC(=O)CSc1nnc(-c2ccco2)n1CC 6851337 JSRKMQKYWATJAN-UHFFFAOYSA-N 337.405 1.886 0 40 EDAB COCCN1C[C@H](C(=O)N2CCC[C@@H](c3nccs3)C2)CC1=O 67046900 PDSOUUDDTYEGIQ-CHWSQXEVSA-N 337.445 1.344 0 40 EDAB CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2)c1=O 4999862 HSQGRVHZJWLZBB-UHFFFAOYSA-N 337.379 1.500 0 40 EDAB CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCn3nc(C)nc32)cc1 90226040 WPDPXNIOZDLBDR-NHYWBVRUSA-N 349.460 1.680 0 40 EDAB C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc2ccccc12 83981574 QCADNHVJUJASRH-AWEZNQCLSA-N 334.441 1.839 0 40 EDAB Cc1nn(CC(=O)N2CCC[C@@H](C)C2)c(C)c1S(=O)(=O)N(C)C 7783331 BHBHAYXJYGSOFD-LLVKDONJSA-N 342.465 1.009 0 40 EDAB O=C1O[C@H](CC(=O)N2CCN(c3ncccn3)CC2)c2ccccc21 7977267 POUZOXJWKQVNCE-OAHLLOKOSA-N 338.367 1.427 0 40 EDAB CCc1cccc(N2C[C@H](C(=O)N3CCCn4ncnc43)CC2=O)c1 71839406 QVYQJOTWVXXPBK-CQSZACIVSA-N 339.399 1.630 0 40 EDAB COCCNC(=O)c1ccc(NC[C@@H]2COc3ccccc3O2)nc1 71882455 YDTZWXXQZSYUCX-CQSZACIVSA-N 343.383 1.710 0 40 EDAB CCn1cc(CC(=O)N2CCN(C[C@H](C)O)CC2)c2ccccc21 70040940 JZZGOQBZIAYKIM-HNNXBMFYSA-N 329.444 1.729 0 40 EDAB O=C(CN1CCO[C@H](Cn2cccn2)C1)Nc1ccc(Cl)cn1 69391596 FORQOKVKPWERJP-ZDUSSCGKSA-N 335.795 1.271 0 40 EDAB NS(=O)(=O)c1cnc(NCCc2ccc(-n3cccn3)cc2)s1 69380092 KPFFNJGYCMIBDY-UHFFFAOYSA-N 349.441 1.631 0 40 EDAB C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)Cc1cscn1 71828265 LKDOCBVCNHTGGH-CYBMUJFWSA-N 346.460 1.102 0 40 EDAB CCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1C(=O)OC 8328680 KHUQJDQFXYOJQJ-ZDUSSCGKSA-N 340.401 1.226 0 40 EDAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)CCNC(=O)c1ccco1 71847413 DJEACNKJMMWFBC-CQSZACIVSA-N 342.351 1.530 0 40 EDAB Cn1cnc2c1CCN(C[C@@H](O)COCc1ccc3c(c1)OCO3)C2 69488630 RBWKHPOALVNPKX-CQSZACIVSA-N 345.399 1.085 0 40 EDAB Cc1cnn(C[C@H]2CN(Cc3nc(-c4ccoc4)no3)CCO2)c1 69436474 CNIOULYNVZHZHS-CQSZACIVSA-N 329.360 1.736 0 40 EDAB C[C@H](OCC1CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 69484022 JSISDTRWFKOWHQ-GUYCJALGSA-N 330.428 1.808 0 40 EDAB NC(=O)C1CCN(CCCNCc2cccc3c2OCCO3)CC1 71817030 OQQBWUBFBLKLHC-UHFFFAOYSA-N 333.432 1.135 0 40 EDAB COCCOc1nc(C(=O)N2CC[C@@H](C(N)=O)C2)cc2ccccc12 71839339 UMIKXICOOCLVSF-CYBMUJFWSA-N 343.383 1.207 0 40 EDAB Cc1cnn(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 71883288 OAUSBNQWDDOYTG-AWEZNQCLSA-N 344.390 1.890 0 40 EDAB O=C1c2ccccc2C(=O)N1CCn1cnc2cc(F)ccc2c1=O 8485351 HSUURISYFRUSPH-UHFFFAOYSA-N 337.310 1.832 0 40 EDAB C/C=C/C(=O)OCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 8493141 UURQRGHRPKVOAA-HWKANZROSA-N 337.397 1.701 0 40 EDAB C[C@H](c1cccc(O)c1)N(C)CC(=O)N1CCN(C(=O)C2CC2)CC1 71897179 HXPKIDWXPOYKHI-CQSZACIVSA-N 345.443 1.466 0 40 EDAB CCOCCN1CCN(Cc2noc(-c3ccc(OC)cc3)n2)CC1 69771503 SQBOHOGADLVFGZ-UHFFFAOYSA-N 346.431 1.899 0 40 EDAB NC(=O)c1ccc(C[S@](=O)CC(=O)NC2CCCCCC2)cc1 69777499 AAPQFSAIIWTZIS-HSZRJFAPSA-N 336.457 1.873 0 40 EDAB COc1cccc(N2CC[C@H](CNS(=O)(=O)N(C)C(C)C)C2)c1 69705584 OSTGZNLNXIRNCB-CQSZACIVSA-N 341.477 1.696 0 40 EDAB Cc1nnnn1-c1cc(NC(=O)NCCc2ccccn2)ccc1F 69716600 JGWFNCCSBWSHLV-UHFFFAOYSA-N 341.350 1.869 0 40 EDAB CCOC(=O)N1CCC(S(=O)(=O)NCCc2ccccc2)CC1 69817331 COJHQBFZYXHJAY-UHFFFAOYSA-N 340.445 1.769 0 40 EDAB Cc1cn2nc(N(C)C[C@@H]3CCCN3c3cccnn3)sc2n1 69879905 YFDVBJWDHZEDDK-LBPRGKRZSA-N 329.433 1.994 0 40 EDAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21)Nc1ccccc1 18162334 ANPSMRSCUNPCAQ-JKSUJKDBSA-N 349.350 1.619 0 40 EDAB O=C(CN1C(=O)CNC1=O)Nc1ccc(N2CCCCCC2)cc1 8706766 UYSDBOWUZOJDDL-UHFFFAOYSA-N 330.388 1.557 0 40 EDAB CNC(=O)NCC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 97080027 HJLBORVKIOLWGK-JTQLQIEISA-N 325.237 1.613 0 40 EDAB Cc1nc(CN)ccc1C(=O)N1CCN(c2ccccc2F)CC1 97032469 UFUPWSBILRYXRD-UHFFFAOYSA-N 328.391 1.950 0 40 EDAB C[C@@H](NC(=O)CNC[C@H]1CCCN1c1cccnn1)c1cccs1 72276721 DNPLQPDMUWEEKF-ZIAGYGMSSA-N 345.472 1.974 0 40 EDAB COc1c([C@@H]2CCCN2C(=O)c2ccc(N(C)C)nn2)c(C)nn1C 72253208 AIOIPWUSBROFKE-ZDUSSCGKSA-N 344.419 1.570 0 40 EDAB O=C(c1cc(=O)c2ccccc2o1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269466 OGCYXUOLNSFZJF-HUUCEWRRSA-N 342.395 1.464 0 40 EDAB COc1ccc(NC(=O)[C@H]2CCCN2c2ncnc3[nH]ncc23)cc1 72281901 WXCWBSJTTPMQFO-CQSZACIVSA-N 338.371 1.969 0 40 EDAB C[C@H](Cc1ccccc1Br)NC(=O)[C@H]1CC(=O)N(C)C1 84640763 DVRVOUGCCQVSHD-PWSUYJOCSA-N 339.233 1.975 0 40 EDAB O=C(CCN1CCC[C@H](O)C1)Nc1ccc(N2CCOCC2)cc1 74020710 PRHZFKLTEAIHLV-KRWDZBQOSA-N 333.432 1.309 0 40 EDAB C[C@@H]1CN=C(N2CCN(Cc3nnc(-c4ccco4)o3)CC2)S1 84715280 YSLHXXSSLOEWHU-LLVKDONJSA-N 333.417 1.939 0 40 EDAB CN1C[C@H](NC(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)CC1=O 95418669 VKDHGLUVGHCVEO-CYBMUJFWSA-N 327.388 1.449 0 40 EDAB COC(=O)c1ccc(NC(=O)N2CCC(N(C)CCO)CC2)cc1 95467053 SQURKDQUZRGOMB-UHFFFAOYSA-N 335.404 1.394 0 40 EDAB O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(-n2ccnc2)cc1 95445600 MVZOBRDLJFTRLI-QZTJIDSGSA-N 340.427 1.855 0 40 EDAB O=S(=O)(N[C@H]1CCCN(C[C@@H]2CCOC2)C1)c1cccc(F)c1 95948403 YWPMSMNVOYQASJ-ZFWWWQNUSA-N 342.436 1.605 0 40 EDAB Cn1cc(S(=O)(=O)NCC2CCC(C)(C)CC2)cc1C(N)=O 95976018 IXPXZONVLGFKKT-UHFFFAOYSA-N 327.450 1.619 0 40 EDAB CC(=O)N1CCC(NC(=O)CNC(C)(C)c2cccc(C)c2)CC1 95985283 LMQQMYPAOJQEPN-UHFFFAOYSA-N 331.460 1.947 0 40 EDAB C[C@H]1CN(C(=O)NCC(=O)NC(C)(C)C)CCN1CC(F)(F)F 95977444 DMMMLFFJTITPCS-JTQLQIEISA-N 338.374 1.179 0 40 EDAB NC(=O)c1ccc(NC(=O)N2CCCN(CC(F)F)CC2)c(F)c1 95980588 QCVWRKONKYJUHV-UHFFFAOYSA-N 344.337 1.729 0 40 EDAB C[C@H](C(=O)N(Cc1ccccc1)C[C@H]1CCCO1)S(C)(=O)=O 89369020 AWXJYQBGJHICOE-UKRRQHHQSA-N 325.430 1.627 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)Cc2cn3ccsc3n2)c2ccccc21 89463940 VKXWZZOUCWFCEN-CYBMUJFWSA-N 340.408 1.944 0 40 EDAB Cc1cnc(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)cn1 75148070 MXURHQXXWXUVIT-UHFFFAOYSA-N 348.410 1.818 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cncn3)nc2)C12CCC2 89985888 VRYQZEVFGKDFKP-ZIAGYGMSSA-N 327.388 1.740 0 40 EDAB COc1ccc([C@@H](C)NC(=O)[C@H]2CNC(=O)N2)cc1Br 89904655 DDNUFEPXADSGRR-GMSGAONNSA-N 342.193 1.316 0 40 EDAB O=C(c1occc1COc1ccccc1)N1CCN(CCO)CC1 75572207 NYVHQYBHJGFLFN-UHFFFAOYSA-N 330.384 1.609 0 40 EDAB CCc1nc(CN2CCCN(Cc3nc(C4CC4)no3)CC2)no1 75603262 HOLNYYMMTKHRSN-UHFFFAOYSA-N 332.408 1.600 0 40 EDAB COCCCNC(=O)CN1CCC[C@H]1c1c(C)nn(C)c1Cl 75605740 PTEPMCPIOIACPR-LBPRGKRZSA-N 328.844 1.672 0 40 EDAB O=S(=O)(c1ccccc1)[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]1CO 218159955 PUJQSHGXDNSRJO-IAOVAPTHSA-N 332.377 1.964 0 40 EDAB COc1ccc(CCNC(=O)c2cccc(-n3nnnc3C)c2)cc1 71280663 HALYRLIASDWKKO-UHFFFAOYSA-N 337.383 1.952 0 40 EDAB COc1ccc2cc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)cnc2c1 72247507 ZBNPPOGMFFXAQT-OAHLLOKOSA-N 349.412 1.606 0 40 EDAB Cn1ccnc1CN1CCC(CCCc2ccccn2)(C(N)=O)CC1 72367261 FEAFTGVXTHZOAX-UHFFFAOYSA-N 341.459 1.906 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccco2)CC1 72239640 CHZHILMNVZWAKR-AWEZNQCLSA-N 349.387 1.071 0 40 EDAB COCCN1[C@H](C)CN(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 36075927 LDKKGXAUAHOUGG-HUUCEWRRSA-N 326.462 1.725 0 40 EDAB COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)(C)C 217468092 FBYVEVZYTIZCKV-UHFFFAOYSA-N 344.433 1.910 0 40 EDAB CN(CC(=O)NCc1ccccc1)C(=O)Cc1ccccc1C(=O)O 71284197 OHSXXDMPEKHNBQ-UHFFFAOYSA-N 340.379 1.702 0 40 EDAB C[C@@H](NC1(CNC(=O)c2c[nH]nn2)CCOCC1)c1ccccc1 79096112 BGUUTIJKUBMYLV-CYBMUJFWSA-N 329.404 1.435 0 40 EDAB COCC(=O)N1CCC[C@@H]1c1nccnc1Nc1nc(C)cc(C)n1 72384776 FCSZGFMOARIFOU-CYBMUJFWSA-N 342.403 1.937 0 40 EDAB O=C(N1CC[C@@]2(O)CCCC[C@H]2C1)C1(n2cnnn2)CCCCC1 72404375 XBRZLQOYYJKSSR-YOEHRIQHSA-N 333.436 1.486 0 40 EDAB COCc1ccc(S(=O)(=O)N2CC(C)(C)OC[C@H]2C(=O)O)cc1 562966657 SOAJQSBHAQUKOT-ZDUSSCGKSA-N 343.401 1.086 0 40 EDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(C)c1 45896058 NLXHPWJTBDFUSZ-AWEZNQCLSA-N 329.360 1.460 0 40 EDAB CCn1cc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2F)cn1 195571958 XLENVWXAVIVZID-UHFFFAOYSA-N 345.783 1.743 0 40 EDAB O=C(O)CNS(=O)(=O)c1ccc(Nc2cc(Cl)ncn2)cc1 226105358 RMUGSKUSKVIELS-UHFFFAOYSA-N 342.764 1.237 0 40 EDAB Cc1nsc2ncn(CCS(=O)(=O)c3ccccc3)c(=O)c12 225576856 OTUIMXYHAIGTMO-UHFFFAOYSA-N 335.410 1.635 0 40 EDAB CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1Cl 225962496 KIBOBKOWBOPTIL-UHFFFAOYSA-N 340.232 1.670 0 40 EDAB COc1ncccc1C(=O)N1C[C@H]2OC[C@H](c3nnc(C)o3)[C@H]2C1 96215978 IEMCKMXLIFHAGN-FRRDWIJNSA-N 330.344 1.036 0 40 EDAB C[C@H](C(=O)N(C)C)[S@](=O)c1nncn1CCc1cccs1 96452461 AZFQUFBTEPZKNQ-LADRHHBVSA-N 326.447 1.167 0 40 EDAB C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc[nH]c1=O 96407624 DHCRZMSXTYIILK-CJNGLKHVSA-N 326.400 1.410 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CSc2ccc3nncn3n2)cc1 95479966 SHISWPVHHAGOBL-UHFFFAOYSA-N 342.384 1.814 0 40 EDAB O=C(c1ccnnc1)N1Cc2nccn2C[C@H](CN2CCCC2)C1 96188372 ZGPYAODLRYKHRF-AWEZNQCLSA-N 326.404 1.041 0 40 EDAB CCOC[C@H]1CN(C(=O)c2ccnnc2)Cc2ncn(CC3CC3)c21 96045133 YPKCVDAFXGMTCT-OAHLLOKOSA-N 341.415 1.859 0 40 EDAB O=C(NCC1CC1)[C@H]1CCC2(CCN(C(=O)c3cnccn3)CC2)O1 96061200 VEVYCPXMLPUPNQ-OAHLLOKOSA-N 344.415 1.157 0 40 EDAB CC(C)NC(=O)[C@H]1C[C@@H]2CN(C(=O)NCc3ccccc3)C[C@H]1O2 96252882 MOLVIAYEUDJNDP-OWCLPIDISA-N 331.416 1.510 0 40 EDAB Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2cccnc2)cs1 96055651 SYLQPKIXHYTHBP-LSDHHAIUSA-N 342.424 1.862 0 40 EDAB Cn1cc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3cccs3)C2)cn1 96110077 OJMUNJYIHHVRIK-RHSMWYFYSA-N 346.456 1.246 0 40 EDAB O=S1(=O)CC[C@@H](N(Cc2ccc(Cl)nc2)C[C@@H]2CCCO2)C1 96443329 BQEUOYSKJFZBDO-KGLIPLIRSA-N 344.864 1.903 0 40 EDAB CN1CCC[C@H](NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1=O 96487105 YSMLDMXIEQQIRB-NWDGAFQWSA-N 331.199 1.764 0 40 EDAB C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C 249508270 HXPFSAXLEJOMRS-AAVRWANBSA-N 325.453 1.652 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)Cc2ccc(C)cc2)Cc2ccnn21 247854527 CDWOJZFJSHFNRW-MRXNPFEDSA-N 326.400 1.454 0 40 EDAB CN(C)C(=O)COCC[C@H]1CCOC12CN(Cc1ccccn1)C2 248029218 STWHYFYTAXFDDU-HNNXBMFYSA-N 333.432 1.167 0 40 EDAB Cc1noc(C)c1CC(=O)N(C)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257215919 CSFRFMMXZWWZTF-JFIYKMOQSA-N 345.399 1.658 0 40 EDAB Cc1cc(CC[C@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)ncn1 257270318 MTRYGMGZUMTLPF-KRWDZBQOSA-N 343.431 1.540 0 40 EDAB CCc1noc(C)c1C(=O)NC[C@]1(O)CCN(c2ccccn2)C1 257242150 IBHRMCJAHWNEEQ-QGZVFWFLSA-N 330.388 1.312 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257295360 QXZZPSSATNNPHU-ZDUSSCGKSA-N 332.360 1.238 0 40 EDAB CCS(=O)(=O)N1Cc2ccnn2[C@H](COc2ncccc2F)C1 253491837 NYMLGXIWISKHOT-LBPRGKRZSA-N 340.380 1.203 0 40 EDAB Cc1ccc2nc(C(=O)N3CCO[C@H](c4ccnc(C)n4)C3)cn2c1 257283782 OZVGQVXEVKVQNG-INIZCTEOSA-N 337.383 1.955 0 40 EDAB Cc1nn(C)cc1CCC(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257323342 WJTULNNPWSHKPW-ZHALLVOQSA-N 343.427 1.748 0 40 EDAB CC(=O)N1CCN(C(=O)Cn2cc(C)cn2)C[C@@H]1c1ccccc1 257256298 KKVXQQXJOYBUAK-QGZVFWFLSA-N 326.400 1.624 0 40 EDAB CN1CCc2c(cccc2S(=O)(=O)Nc2cccnc2N(C)C)C1 585129377 HPRKIMKTCIDBBX-UHFFFAOYSA-N 346.456 1.936 0 40 EDAB CCn1nc(C)c(S(=O)(=O)Nc2ccoc2C(=O)OC)c1C 585118812 CRRFUAFSVJRVRR-UHFFFAOYSA-N 327.362 1.700 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CCO[C@@H](c2cnccn2)C1 257294610 QUWRVPXMWRAXSX-MRXNPFEDSA-N 327.340 1.462 0 40 EDAB CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(C(=O)O)nc1)CC2 590434000 XWARRHIZIFHXLW-NSHDSACASA-N 329.360 1.240 0 40 EDAB N[C@@H]1CC2(CCN(C(=O)CN3CCOCC3)CC2)Oc2ccccc21 1616039605 RUPNAYSFAFGWNV-MRXNPFEDSA-N 345.443 1.162 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@H]([C@H](F)C(=O)O)C1 1614994486 WJIPTHRPSAFXKC-GWCFXTLKSA-N 331.365 1.437 0 40 EDAB CNC(=O)Cc1ccc(NC(=O)N2CCC(=O)N3CCCC[C@H]32)cc1 1615057704 HKCRMEDOQAWWPC-MRXNPFEDSA-N 344.415 1.551 0 40 EDAB CC(C)Oc1cccc(CNC(=O)CN[C@@]23CCC[C@H]2NCC3)c1 1615059276 ZEZFTMVZCAWNRQ-IEBWSBKVSA-N 331.460 1.964 0 40 EDAB Nc1ccn2ncc(C(=O)N3CCOC[C@H]3C[C@H]3CCOC3)c2c1 1615552944 FLVHTQAMFWMMSO-TZMCWYRMSA-N 330.388 1.184 0 40 EDAB C[C@@H]1CCC[C@H](CS(=O)(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)C1 1615615262 WUHZTYVCMABSOZ-HOSILWTGSA-N 341.477 1.996 0 40 EDAB CCN(CC)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O 585289849 KXMRUDUTTZDHNF-HKUYNNGSSA-N 334.460 1.285 0 40 EDAB CN(C)C[C@@H]1CCn2nccc2CN1C(=O)COc1ccc(F)cc1 585098582 ZLVVXPVILTZKIR-HNNXBMFYSA-N 346.406 1.764 0 40 EDAB CCOC1CCN(C(=O)c2sc3ncn(C)c(=O)c3c2C)CC1 71820674 HBTCDIBSHBTETA-UHFFFAOYSA-N 335.429 1.945 0 40 EDAB Cc1cc(C(=O)NCC2(O)CCS(=O)(=O)CC2)c2ccccc2n1 72297771 MZBSLJSSTRKLGE-UHFFFAOYSA-N 348.424 1.213 0 40 EDAB C/C=C/c1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 36724909 GAIHJHFDNAQGHM-IHVVCDCBSA-N 339.413 1.654 0 40 EDAB Cc1cc(OCC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)ccn1 1775995312 NLBZTZRZRYYSOB-UHFFFAOYSA-N 342.399 1.415 0 40 EDAB O=c1cc(N2CCC[C@@H](COc3ncccn3)C2)nc2ccccn12 1776001078 YGLDANGKSBTEHY-CQSZACIVSA-N 337.383 1.780 0 40 EDAB O=C1OCC[C@H]1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52110486 HQCXOLIPTDARNO-CYBMUJFWSA-N 326.755 1.552 0 40 EDAB CN1C[C@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1=O 62230403 RXUVWKSWRNRYSH-DLBZAZTESA-N 329.444 1.493 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC2(CC1)OC[C@H](C)O2 75143582 OHXARIWVLHEVAJ-QWHCGFSZSA-N 327.425 1.084 0 40 EDAB COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 79066174 BWSXLGQKEQMSHV-BDAKNGLRSA-N 347.293 1.857 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CC[C@@](O)(C(F)(F)F)C1 81478277 ICPKHPKYGBUUAT-FZMZJTMJSA-N 330.306 1.699 0 40 EDAB CN(C)C[C@@H]1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1 96009924 APWXFEDEBQTQOT-LBPRGKRZSA-N 348.415 1.903 0 40 EDAB CC(=O)NCCc1ccc(NC(C)=O)c(I)c1 1889023478 ZBMRIOKHZFUPQG-UHFFFAOYSA-N 346.168 1.928 0 40 EDAB COc1c(I)cc(C)cc1C(=O)NC(N)=O 5538622 FSJWAWPAVFESLC-UHFFFAOYSA-N 334.113 1.417 0 40 EDAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1 12532652 UTRJDNSMLQDFSD-UHFFFAOYSA-N 335.337 1.972 0 40 EDAB CCOC(=O)Cc1cc(=O)c2c(=O)n(-c3ccc(OC)cc3)[nH]c2[nH]1 17071639 WGXLTYYRLCKBKT-UHFFFAOYSA-N 343.339 1.121 0 40 EDAB Cc1cc2nc([C@@H]3CCN(C(=O)c4ccn(C)n4)C3)cc(O)n2n1 19129819 ZCNHOFYIDFRGAG-LLVKDONJSA-N 326.360 1.107 0 40 EDAB O=C(CN1CCCC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 19292008 SQZYSYGLQHNKOE-HNNXBMFYSA-N 344.459 1.381 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)NCc1nccc(N(C)C)n1 207978565 WNRGMLGWWVDEDA-UHFFFAOYSA-N 336.417 1.338 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2onc3c2CCCC3)C1 13791426 TUYXKLHSEFPRFH-SNVBAGLBSA-N 327.406 1.164 0 40 EDAB O=C(NC[C@H]1CCCO1)N1CCN(c2ccc(C3CC3)nn2)CC1 575609077 RLTKAYPUIIZPCT-CQSZACIVSA-N 331.420 1.365 0 40 EDAB O=C(Cn1cnc(C2CC2)cc1=O)N1CC(Cn2cc(Cl)cn2)C1 1848597433 RYIIEFTUVZVMPF-UHFFFAOYSA-N 347.806 1.129 0 40 EDAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 8748808 ICZXMFBMCMOAFL-UHFFFAOYSA-N 341.414 1.320 0 40 EDAB COc1ccccc1CCNS(=O)(=O)c1cc(C(=O)O)cs1 13310548 HZTKKQAGBFUTQU-UHFFFAOYSA-N 341.410 1.976 0 40 EDAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]3C2)nn1 1888870003 NYKOITFYOJBOKN-RYUDHWBXSA-N 341.419 1.101 0 40 EDAB NS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 15323954 LWLUFYHEVSKVJG-UHFFFAOYSA-N 338.410 1.085 0 40 EDAB CN(C)C(=O)CNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 23747932 AQBUHRHHSZFLDY-UHFFFAOYSA-N 339.395 1.288 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2cccs2)o1 25300752 ILRIUZUWTJDBGN-SECBINFHSA-N 328.415 1.610 0 40 EDAB CCOc1cc(CO)cc(Br)c1OCC(=O)N(C)C 14198847 BQEVJUNWQMSDLZ-UHFFFAOYSA-N 332.194 1.807 0 40 EDAB CNCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3nccs3)n2)C1 2037835094 YKSZQNZVXFISOX-GFCCVEGCSA-N 346.460 1.911 0 40 EDAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc2c(c1)OCO2 85413520 ADSATSKZWVCTAR-HIFRSBDPSA-N 330.292 1.743 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)c3ccnc(C(F)(F)F)c3)CC[C@@H]2C1 1565547905 SYERODXAIDWPEC-CHWSQXEVSA-N 343.349 1.893 0 40 EDAB COCC(=O)N(C)C1(c2nnnn2-c2ccccc2)CCCCC1 4580295 VPFBKOCNEVYHDB-UHFFFAOYSA-N 329.404 1.927 0 40 EDAB CCc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 4941448 DYLJPEPDXWFZJQ-OAHLLOKOSA-N 332.400 1.989 0 40 EDAB CC(C)(C)NC(=O)NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 9040615 FGDRWIZMSOUSLJ-NSHDSACASA-N 333.388 1.866 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)NC[C@H]1COC2(CCCC2)O1 10220564 RRQUOYYWAFVNFT-LBPRGKRZSA-N 345.392 1.798 0 40 EDAB O=C(N1CCC1)C1(n2cccn2)CCN(CC2CCOCC2)CC1 2055772842 MMOQLLMGZXZZHK-UHFFFAOYSA-N 332.448 1.333 0 40 EDAB NC(=O)[C@H](NC(=O)c1cccc2ccccc12)c1nnc(CF)o1 28405889 ZCQSJPVFVBGFFC-ZDUSSCGKSA-N 328.303 1.649 0 40 EDAB CCc1ccc(S(=O)(=O)N[C@@H](Cn2ccnn2)C(C)C)s1 575616102 JFXIVOSWXBPYLQ-LBPRGKRZSA-N 328.463 1.905 0 40 EDAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccno1 585147670 QNZXAGPPLFEFOM-UHFFFAOYSA-N 348.384 1.138 0 40 EDAB O=C(NCc1nc(-c2cc[nH]c(=O)c2)no1)c1ccc2[nH]cnc2c1 225800817 LPGNNNSHNGWMGN-UHFFFAOYSA-N 336.311 1.231 0 40 EDAB NS(=O)(=O)c1cccc(C(=O)NCCOc2cccc(F)c2)c1 31089372 CLWYMYRKYVJJQY-UHFFFAOYSA-N 338.360 1.282 0 40 EDAB COc1ccccc1[C@H](CNC(=O)C1=NN(C)C(=O)CC1)N(C)C 40489312 UQPOESBZQMAZJI-AWEZNQCLSA-N 332.404 1.022 0 40 EDAB Cc1ccc2cc(C(=O)NCCCN(C)S(C)(=O)=O)c(C)nc2c1 40515362 UJXJNNOETCUINK-UHFFFAOYSA-N 349.456 1.863 0 40 EDAB O=C(NCCOc1cccc(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 40539919 GEXOZMUVXNFGFE-LLVKDONJSA-N 332.809 1.205 0 40 EDAB CCOc1ccccc1CNC(=O)NCCCNS(=O)(=O)CC 51279655 QVIXSENALXDWNN-UHFFFAOYSA-N 343.449 1.214 0 40 EDAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)Nc1ccccc1 32088459 UNOVHBUFLCZPFY-UHFFFAOYSA-N 349.350 1.672 0 40 EDAB CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(C(C)=O)CC1 32644996 WBFIQQWZOJXXID-UHFFFAOYSA-N 338.429 1.175 0 40 EDAB CCN(Cc1ccccc1)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102429867 RRYGMZUINWMMOT-HZPDHXFCSA-N 326.396 1.986 0 40 EDAB CCCCn1nc(C(=O)OCc2ccc(C(N)=O)cc2)ccc1=O 32837606 MGINVSBIECFTRO-UHFFFAOYSA-N 329.356 1.499 0 40 EDAB Cc1cc(-c2nc(-c3c(N)n(C)c(=O)n(C)c3=O)cs2)ccc1F 32899499 FHGFIYVNSMPMKF-UHFFFAOYSA-N 346.387 1.904 0 40 EDAB O=C(c1cn[nH]n1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 54124940 PONIPMUVPPWPRX-UHFFFAOYSA-N 326.282 1.181 0 40 EDAB Cc1cnc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cn1 23958260 GNLRRLAJIRXFJC-UHFFFAOYSA-N 326.400 1.547 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(CCCOc2ccc(F)cc2)CC1 24243435 NMUPVPBDDVNENO-OAHLLOKOSA-N 349.450 1.879 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)Nc1ccc(N2CCOCC2)nc1 55079445 DJQBDADDISUWDH-UHFFFAOYSA-N 330.392 1.316 0 40 EDAB CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 24694462 QBFDSXDNHZLCDG-UHFFFAOYSA-N 346.840 1.296 0 40 EDAB CC(=O)c1cccc(OCC(=O)NCC[S@@](=O)C(C)(C)C)c1 78668609 PDOWCCWXFWLPNK-QFIPXVFZSA-N 325.430 1.931 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)NCc1ccc(-n2ccnc2)nc1 78818458 RQKNRSKZPQUFHX-UHFFFAOYSA-N 348.428 1.241 0 40 EDAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccn2)cc1 24986555 FHVNLNLWZPPVDT-UHFFFAOYSA-N 335.385 1.259 0 40 EDAB Cc1cc(C(=O)NC(C)C)ccc1NCc1cc(=O)n(C)c(=O)n1C 79016615 CSPQJIKPKOXIEK-UHFFFAOYSA-N 344.415 1.143 0 40 EDAB Cc1cc(NC(=O)NC[C@@H](CN(C)C)[C@@H](O)c2ccccc2)n(C)n1 43432646 VQCQNJDJJSRLID-RDJZCZTQSA-N 345.447 1.761 0 40 EDAB C[C@@H]1C[C@@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CC(=O)N1 96003978 SJUDYZGOAKHIFE-UKRRQHHQSA-N 335.448 1.152 0 40 EDAB O=C(CN1CCN(c2nccs2)CC1)NCCOc1ccccc1 34870087 MWXKIAAZJVYXKO-UHFFFAOYSA-N 346.456 1.460 0 40 EDAB CC1=NN(C(=O)Cn2cc(Br)cn2)[C@@](O)(C(F)F)C1 6395235 PBYOVJKEJGTECX-JTQLQIEISA-N 337.124 1.208 0 40 EDAB CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 7248589 SZZQKYHPFCYTJX-CQSZACIVSA-N 345.486 1.891 0 40 EDAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1ccc2c(c1)CCC2 7984284 DYCFCOPJVTWOIR-UHFFFAOYSA-N 346.408 1.889 0 40 EDAB CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(N)=O 1640320 RVVQEXKXIZCDGV-JSGCOSHPSA-N 335.404 1.318 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)NCC(=O)NCc2ccco2)c1C 8724809 HZJDEEVWWXXDBB-UHFFFAOYSA-N 333.344 1.057 0 40 EDAB CN(C)S(=O)(=O)CC(=O)NCC1CCC(c2ccccc2)CC1 97372623 BHZUJUZXXKVIPH-UHFFFAOYSA-N 338.473 1.968 0 40 EDAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCC(C(N)=O)CC2)no1 27343424 XPOKISOGGRARES-INIZCTEOSA-N 342.399 1.860 0 40 EDAB CCSc1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cn1 58049030 CUPJNJPCVALYGA-NSHDSACASA-N 329.447 1.556 0 40 EDAB C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)N1CCOCC1 58179816 VIQHONWWPHFCHT-LBPRGKRZSA-N 345.424 1.787 0 40 EDAB O=C(CN1CCN(C(=O)c2cccs2)CC1)NC1CCCCC1 36056736 NNSNHOAHSGUQBG-UHFFFAOYSA-N 335.473 1.955 0 40 EDAB O=C(CN1C(=O)NC(C2CC2)(C2CC2)C1=O)NCc1ccccc1 58293105 UHVCKYIWSKUPAA-UHFFFAOYSA-N 327.384 1.413 0 40 EDAB Cc1ccc(Cl)c(OCC(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 44907936 TYQJZPVNLAEFQC-NSHDSACASA-N 331.821 1.578 0 40 EDAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCSCC1 44954942 XKWKANBDLNLJRO-MRXNPFEDSA-N 331.441 1.791 0 40 EDAB COc1ccc(C(=O)NCCCN(C(C)C)S(C)(=O)=O)cc1F 44942582 DGTYODJNGNJZSY-UHFFFAOYSA-N 346.424 1.624 0 40 EDAB CCOC(=O)N(C)C1CCN(CC(=O)NCc2cccnc2)CC1 95395047 IKXUMVQWCRCGSM-UHFFFAOYSA-N 334.420 1.251 0 40 EDAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC(CC(N)=O)CC1 48026174 NLXBDSUHSZNKTR-CZUORRHYSA-N 345.443 1.602 0 40 EDAB CCN(CC)C(=O)CNc1cc(C(=O)N2CCOCC2)ccc1OC 58378424 OUMBKKXTMZVSOF-UHFFFAOYSA-N 349.431 1.448 0 40 EDAB C[C@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)n1cncn1 45525979 OFIIRCPSUPKFBI-CQSZACIVSA-N 327.432 1.792 0 40 EDAB C[C@@H](CO)NC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 53229721 OIUFQILCIFKJNZ-BYMSMCERSA-N 327.428 1.625 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cccc(-n3cccc3)c2)C1 29191994 WLQFVDOSQSLRAG-HNNXBMFYSA-N 347.440 1.631 0 40 EDAB CCNC(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11547706 RRAJHQPSDUMMPF-UHFFFAOYSA-N 331.347 1.793 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@@H](C)Cn3cccn3)CC2)no1 46463780 AFGPSJBEQYOKRP-ZDUSSCGKSA-N 332.408 1.095 0 40 EDAB C[C@@H](CNC(=O)c1cc(Cl)c2c(c1)OCO2)N1CCOCC1 29958960 ANOQBJHJTWMVOZ-JTQLQIEISA-N 326.780 1.519 0 40 EDAB C[C@H](NC(=O)c1c(I)cnn1C)[C@@H]1CCCO1 2775183 FQBYRUSKGSGUOG-CBAPKCEASA-N 349.172 1.322 0 40 EDAB Cc1cccn2c(=O)c3cc(C(=O)NC[C@H]4CCCO4)n(C)c3nc12 2917305 BTVJZMRLFSGBIJ-GFCCVEGCSA-N 340.383 1.403 0 40 EDAB Fc1ccc([C@@H](CNc2ncnc3[nH]cnc23)N2CCOCC2)cc1 47509251 NKIKPSJSKQJYDN-CQSZACIVSA-N 342.378 1.977 0 40 EDAB CN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccn(-c2ccccc2)n1 48229712 GKXLIJMHJAXWAE-UHFFFAOYSA-N 341.415 1.635 0 40 EDAB CNS(=O)(=O)[C@@H]1CCN(C(=O)/C(C)=C/c2ccc(Cl)cc2)C1 95443575 ZRNCYVOZSDZLQA-CFRMROPGSA-N 342.848 1.893 0 40 EDAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1ccccn1)C2=O 3486669 NDNKFJJPGJIJHH-ACJLOTCBSA-N 344.415 1.241 0 40 EDAB CCN(CC(=O)NC(C)C)C(=O)[C@@H](NC(=O)c1ccco1)C(C)C 3534421 LUJWNLQEXOLJPQ-HNNXBMFYSA-N 337.420 1.407 0 40 EDAB C[C@H](Sc1ccccc1C(=O)O)C(=O)N[C@H]1CCS(=O)(=O)C1 12937238 HEKLFGLRCWOSFL-UWVGGRQHSA-N 343.426 1.169 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2occc2C)NC(=O)N[C@@H]1CC 12935895 NOYMGGDTULNGFS-SNVBAGLBSA-N 336.344 1.653 0 40 EDAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NCCc1nnc2n1CCC2 95437019 GOXYMQOTDSSMSQ-ZDUSSCGKSA-N 343.431 1.745 0 40 EDAB CC(C)Cn1ccnc1CNS(=O)(=O)c1ccc2c(c1)CCO2 95461770 ZWOKAAJKEBOSGU-UHFFFAOYSA-N 335.429 1.953 0 40 EDAB NC(=O)[C@@H]1C[C@H](Cc2ccc(O)cc2)N[C@]12C(=O)Nc1ccccc12 49543517 XTISYTSIHVXDGQ-ODYMNIRHSA-N 337.379 1.246 0 40 EDAB biogenic C[C@@H](C(=O)NC(=O)NC1CCCC1)N1CCC(c2nc[nH]n2)CC1 83424263 NHKJFKDNSGTNSX-NSHDSACASA-N 334.424 1.141 0 40 EDAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(OC)cc1 9485387 WEZKBKSXZZVPJC-KBPBESRZSA-N 340.470 1.786 0 40 EDAB Cc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)n1 9468448 ILROQUMOSSQNKU-LLVKDONJSA-N 337.376 1.835 0 40 EDAB COC(=O)c1ccc(NC(=O)COC(=O)c2cnc(C)cn2)cc1 6349534 HQFYQRIIFGOIPM-UHFFFAOYSA-N 329.312 1.367 0 40 EDAB COC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 65512438 IWVXRKAWVVKWFC-JKSUJKDBSA-N 344.411 1.242 0 40 EDAB Cn1c(SCCC(=O)NC(N)=O)nnc1-c1ccccc1Cl 14135242 VSRPTTYGXWZKGL-UHFFFAOYSA-N 339.808 1.813 0 40 EDAB CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 25321137 CPDBAHUVPBYYDP-ZDUSSCGKSA-N 340.401 1.226 0 40 EDAB Cc1ccc2nc(CN3Cc4ccccc4C[C@H]3C(N)=O)cc(=O)n2c1 15027554 SIGZKTPDCTUJML-KRWDZBQOSA-N 348.406 1.415 0 40 EDAB C[C@@H](OC(=O)C=C1CCCCC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 71828190 JCQTVMNHTOYFCU-TZMCWYRMSA-N 343.445 1.454 0 40 EDAB Cn1cc([C@@H]2CCCN2C(=O)c2cccc3c2OCC(=O)N3)cn1 71847554 LLCFCVUEVLXKKZ-AWEZNQCLSA-N 326.356 1.728 0 40 EDAB C[C@@H](O)c1ccc(CNCc2cnc(N3CCOCC3)nc2)cc1 71825331 KBOYUCTWWAUKPT-CQSZACIVSA-N 328.416 1.656 0 40 EDAB CCn1cnnc1CCNC(=O)C1=NN(c2ccccc2)C(=O)CC1 71896236 DACGIDZVGSSLCJ-UHFFFAOYSA-N 340.387 1.140 0 40 EDAB CC(=O)N1CCN(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 15377041 BYMYXEVRVAXSNA-HNNXBMFYSA-N 343.471 1.907 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)COc1cccc2c1OC(C)(C)C2 71829802 GQHJZTOUSLUQHR-JSGCOSHPSA-N 346.427 1.891 0 40 EDAB Cc1nnc(NC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)s1 71897537 KBGNSIPZPXXYJD-CQSZACIVSA-N 347.444 1.730 0 40 EDAB CN(CCNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)C1CC1 71920976 CWGVDROCNKCPKJ-UHFFFAOYSA-N 339.417 1.016 0 40 EDAB CC[C@H](COC)NC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1 71915380 XHMZANMVJHZDCE-IVHIMIEMSA-N 334.416 1.754 0 40 EDAB O=C(CN1CCC[C@H](O)C1)NCc1ccc(F)cc1C(F)(F)F 71948645 TVFQZKJYHACIIY-LBPRGKRZSA-N 334.313 1.917 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 68547737 PKXKJEYWAQGHCW-CYBMUJFWSA-N 346.366 1.539 0 40 EDAB Cc1nn(C)c(Cl)c1CN1NS(=O)(=O)c2ccccc2C1=O 68774183 NZYKOCJOHFQDKQ-UHFFFAOYSA-N 340.792 1.231 0 40 EDAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCO[C@H](CN(C)C)C1 70003954 LNPRSTPYWDXNPQ-WMLDXEAASA-N 337.439 1.608 0 40 EDAB CCOc1ncccc1NS(=O)(=O)c1cnc2c(c1)c(C)nn2C 69381609 SHHHDMCCPXDFQG-UHFFFAOYSA-N 347.400 1.871 0 40 EDAB CC(=O)N[C@H]1CCCN(C(=O)COc2ccc3c(c2)CCCC3=O)C1 69385861 GAMVLNMUWPSXBQ-HNNXBMFYSA-N 344.411 1.712 0 40 EDAB COc1cccc(CNC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 17070018 GFWBEHBPPFLFIE-UHFFFAOYSA-N 343.383 1.956 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1n[nH]c2ccccc12 69452565 YCMNIODDHKDPRC-UHFFFAOYSA-N 327.344 1.366 0 40 EDAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cccc2c1OCCCO2 69492229 UWTRZYUPPWOOCK-CZUORRHYSA-N 349.383 1.859 0 40 EDAB Cc1ccnc2nc(C(=O)NCCc3nc4c(s3)CCCC4)nn12 69570873 AOZGFGIYWPLMHV-UHFFFAOYSA-N 342.428 1.741 0 40 EDAB Cc1nc2c(c(C)c1CC(=O)NCc1cccs1)c(=O)[nH]n2C 69582235 OVRKVOCUIPVMQW-UHFFFAOYSA-N 330.413 1.799 0 40 EDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N(CC(F)F)C2CC2)cc1 69616745 YYRLAJPYTXTBID-RUDMXATFSA-N 344.383 1.864 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)Cc2ccccc2OC(C)C)CC1 69775553 GLNWQNBWSHDLQT-QGZVFWFLSA-N 334.460 1.931 0 40 EDAB CC1(C)Cc2ccc(C(=O)NCc3nnc4n3CCCC4)c(O)c2O1 69739379 RCYDWWWEGNOTFM-UHFFFAOYSA-N 342.399 1.964 0 40 EDAB O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCCc1ccccc1 69742651 JKCHGXUPYIZIRR-QGZVFWFLSA-N 327.432 1.349 0 40 EDAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2cnnn2)cc1 69899721 UPQUNIDTINXESI-IRXDYDNUSA-N 340.431 1.751 0 40 EDAB Cc1cc(C)n2cc(CN3CCN(C[C@H](O)C(C)(C)C)CC3)nc2n1 69873265 VMFJLDJMZWQQGX-KRWDZBQOSA-N 345.491 1.871 0 40 EDAB C[C@@H](SCc1ccccc1)C(=O)N1CCC[C@H]1CS(N)(=O)=O 69967154 XCGSJFMYBINQBG-OCCSQVGLSA-N 342.486 1.588 0 40 EDAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cn2ccccc2n1 8704629 HNPQQRLSNPJZJA-UHFFFAOYSA-N 333.351 1.430 0 40 EDAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 8889867 OZJKOEKWKJMCSI-QGZVFWFLSA-N 331.372 1.085 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H](n2cncn2)C1 72272256 YNLUITPVFOYMTE-ZDUSSCGKSA-N 348.428 1.467 0 40 EDAB O=C(NCC[S@](=O)Cc1ccccc1)C(=O)Nc1cccc(F)c1 72287034 LJMDYUUZLGJPAT-XMMPIXPASA-N 348.399 1.829 0 40 EDAB CN(C)c1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nn1 84240419 KNWMRXHYFJCQLT-LLVKDONJSA-N 335.408 1.282 0 40 EDAB C[C@H](NCC(=O)N[C@H](C)C(=O)N(C)C)c1ccc(F)c(Cl)c1 95984571 JESDOIAXXJSPKF-VHSXEESVSA-N 329.803 1.723 0 40 EDAB COc1ccccc1/C=C/CN[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C 72300541 HDNSFQLTSXQSTB-YKNXIFKJSA-N 338.473 1.968 0 40 EDAB COCCN1CCC(CNC(=O)c2cc(Br)c[nH]2)CC1 89414355 BTPOQILBDUYXRW-UHFFFAOYSA-N 344.253 1.865 0 40 EDAB Cc1noc(-c2cccn3c(=O)n(Cc4c(C)noc4C)nc23)n1 75166018 GDZYDMKRAIIRCA-UHFFFAOYSA-N 326.316 1.508 0 40 EDAB Cc1nc2cc(C(=O)N3CCS(=O)(=O)[C@H](C)[C@H]3C)ccc2n1C 89721608 DLGBLFONRNOOEV-GHMZBOCLSA-N 335.429 1.529 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N2CCC(O)(C(F)(F)F)CC2)C1 89929815 MJBYXGNXFRJJMN-SNVBAGLBSA-N 330.372 1.352 0 40 EDAB CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3CCCCN3CC)CCO2)n1 76046724 LKJBDYMTBOBDIA-KGLIPLIRSA-N 335.452 1.532 0 40 EDAB Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@H]1Cc2ccccc2O1 76247147 RMVPFAWRVDCAQB-GFCCVEGCSA-N 339.351 1.568 0 40 EDAB COC(=O)[C@@H](NC(=O)c1ccccc1)c1nnc(C(F)(F)F)o1 35670994 IGOYINMBYICYGN-QMMMGPOBSA-N 329.234 1.733 0 40 EDAB C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccc(-c2cncnc2)cc1 74975094 ZHANCKGPNNQDFM-GFCCVEGCSA-N 343.412 1.917 0 40 EDAB CCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC[C@](C)(O)C1 152380188 SSYUWYDGUKSUDK-INIZCTEOSA-N 340.445 1.825 0 40 EDAB O=c1c2cnn(CCOc3ccccc3)c2ncn1Cc1ncccn1 188107159 GLWHHIVDJULTQA-UHFFFAOYSA-N 348.366 1.510 0 40 EDAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@](O)(c1ccco1)C1CC1 75154982 YAKULMRWDXIXCI-GOSISDBHSA-N 346.358 1.449 0 40 EDAB C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(Cc2cccs2)CC1 135499745 UBYXKJZFWLWICD-OCCSQVGLSA-N 330.475 1.373 0 40 EDAB Cc1cnn(CCc2nc(CC(=O)NCc3ccccc3)no2)c1 78773473 TYAYNWHDJLDSKO-UHFFFAOYSA-N 325.372 1.676 0 40 EDAB CN1CCC[C@@H]1C(=O)NC[C@H]1CCCN1c1ncnc2scnc12 1061317651 NCHJLORRBMEURS-VXGBXAGGSA-N 346.460 1.266 0 40 EDAB COc1cccc(/C=C/C(=O)N[C@@H](C)CN2CCOCC2)c1OC 40534361 TWSBFCMZIQQMNR-NPQIQWPPSA-N 334.416 1.554 0 40 EDAB CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](C)c1ccccc1OC(C)C 569542967 ZMWNODJLCYEUJW-DUVNUKRYSA-N 334.416 1.633 0 40 EDAB COc1ccc2cnn(CC(=O)NC3CCCC3)c(=O)c2c1OC 40285471 FHSNUOUXXRVBNU-UHFFFAOYSA-N 331.372 1.473 0 40 EDAB c1snnc1CN1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 571185756 CYMMVGJSHIAYTD-ZDUSSCGKSA-N 348.476 1.473 0 40 EDAB O=C(NCCc1ccccc1)C(=O)NCC[C@@H](O)c1cccs1 77115340 OXIKRXVKHIXVGY-CQSZACIVSA-N 332.425 1.647 0 40 EDAB C[C@H](NS(=O)(=O)C[C@@H]1CCOC1)[C@@H](c1ccccc1)N(C)C 192864152 XBEFSGCEDHDQSO-LZWOXQAQSA-N 326.462 1.634 0 40 EDAB CO[C@@H](C)[C@H](C)NS(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C 576587381 COFHKQGPSKSUCX-STQMWFEESA-N 343.445 1.941 0 40 EDAB O=C(O)c1cn([C@H]2CCCN(C(=O)c3cnn4ccccc34)C2)nn1 575062253 BYPALEKKJXJYQP-NSHDSACASA-N 340.343 1.101 0 40 EDAB Cc1cccc2c1OC[C@@H](NC(=O)N1CCC[C@H](n3cncn3)C1)C2 332901537 OWIBDDKAVVNAER-HOTGVXAUSA-N 341.415 1.937 0 40 EDAB CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(C1)CN(Cc1cccnc1)C2 514289504 MTPVTDJCCWAEDM-QZTJIDSGSA-N 330.476 1.043 0 40 EDAB biogenic,in-vitro O=C(c1ccco1)N1CCC[C@@]2(COCCN(c3cnccn3)C2)C1 96049645 MMAIWRNFISIEDA-SFHVURJKSA-N 342.399 1.829 0 40 EDAB Cc1nc2ccccn2c1C(=O)NCCn1nnc2ccccc2c1=O 238818224 BZHXNNBHPLWPMN-UHFFFAOYSA-N 348.366 1.178 0 40 EDAB CC(C)N(C)C[C@H]1CO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 96240645 SUVNAWMOZBYGCA-YJBOKZPZSA-N 348.447 1.065 0 40 EDAB Cc1ccc(N2C[C@H]3OCCN(C(=O)c4ccccc4)C[C@H]3C2)nn1 96249546 IJWWIISNSYILFC-DLBZAZTESA-N 338.411 1.762 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCc2nc(N3CCCC3)nc(N(C)C)c2C1 96253998 UVLMMARWGAEGAA-CHWSQXEVSA-N 329.448 1.684 0 40 EDAB COCC(=O)N[C@@H]1COCCC12CCN(CCc1ccccc1)CC2 96218764 OLYQOGPBHHJZST-GOSISDBHSA-N 346.471 1.863 0 40 EDAB COc1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CN(C)CCN1C 96477461 PYSDQHPWFCWSDG-CABCVRRESA-N 334.464 1.248 0 40 EDAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3ccncc3)C[C@@H]2C1 96080841 YWYLUHSPXKLPHH-CALCHBBNSA-N 343.452 1.834 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(C(=O)c2coc(C)c2)C1 583619165 GFLZKJPAYNCMFC-OLZOCXBDSA-N 327.344 1.628 0 40 EDAB O=S(=O)(c1ccccc1F)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 583616408 NXFBEOMVHXHBDQ-IACUBPJLSA-N 329.393 1.376 0 40 EDAB Cn1c(CN[C@H](CO)c2cc(F)c(F)c(F)c2)nnc1C1CC1 97238447 QGIFASGUPSAGTI-GFCCVEGCSA-N 326.322 1.933 0 40 EDAB Cc1ccsc1C(=O)N1CCc2ncc(Cn3cncn3)n2CC1 96197003 UBCPEMLSAKLAIH-UHFFFAOYSA-N 342.428 1.591 0 40 EDAB Cc1noc([C@@H]2C[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)C[C@H]3O2)n1 96045803 NTZIGPDUXFZFAJ-TUKIKUTGSA-N 343.339 1.709 0 40 EDAB Cc1ccc(NCc2cn3c(n2)CN(C(=O)c2ccoc2)CC3)nn1 96068068 RALLTOSZYRXVMF-UHFFFAOYSA-N 338.371 1.843 0 40 EDAB O=C(NCCOC1CCCC1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 582529205 HMCOEYLVBVFUHD-LSDHHAIUSA-N 345.443 1.936 0 40 EDAB Cc1csc(CN2Cc3ccnn3[C@H](C(=O)N3CCOCC3)C2)n1 247934829 DHCYPGSBEUXKDV-AWEZNQCLSA-N 347.444 1.064 0 40 EDAB O=C(c1ncccn1)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 247892440 YZNPGAPKGGTLSK-GFCCVEGCSA-N 328.397 1.651 0 40 EDAB O=C([C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCO1)N1CCCC1 585091586 YNXARBABJFDHSJ-IRXDYDNUSA-N 328.412 1.741 0 40 EDAB Cn1ccc(C(=O)N2CC3(C2)OCC[C@@H]3COc2ncccc2F)n1 248082469 AOGCSKLUYOICQW-GFCCVEGCSA-N 346.362 1.264 0 40 EDAB NC(=O)c1c[nH]c2nccc-2c1N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2 521813802 DREIJXJRTLTGJC-ZKFJAEEASA-N 326.400 1.965 0 40 EDAB investigational Cc1nc(COC[C@H]2CN(C(=O)CN(C)C)Cc3cncn32)cs1 248064984 ZRAPQCUDOBVGFD-OAHLLOKOSA-N 349.460 1.310 0 40 EDAB C[C@@H](CO)N(C)Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 585117249 WDKPFGDAWBMXGN-NSHDSACASA-N 325.409 1.822 0 40 EDAB CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)Nc3ccccn3)CO2)C1 585119942 BMQLJNJDGOUCIL-LBPRGKRZSA-N 348.403 1.982 0 40 EDAB O=S(=O)(Cc1ccccc1)NC[C@]1(O)CCOc2ccccc21 85470334 DLBVIJDLFOWNBZ-QGZVFWFLSA-N 333.409 1.776 0 40 EDAB O=C(CCCn1ccnc1)N1CCO[C@@H](CCc2ccncn2)C1 257304379 SLJBOPXMNBSEQV-INIZCTEOSA-N 329.404 1.314 0 40 EDAB COc1ccc(F)cc1C(=O)N1CCO[C@@H](c2cc(O)nc(C)n2)C1 257270970 MWJHMWBVKJRHBH-OAHLLOKOSA-N 347.346 1.852 0 40 EDAB CCN1CCN(c2nn(-c3ccc(C)cc3C)nc2C(=O)O)CC1 256049096 YDPDMVZSTHDOLI-UHFFFAOYSA-N 329.404 1.724 0 40 EDAB CCCn1nccc1-c1cc(C)nc([C@H]2CCN(S(C)(=O)=O)C2)n1 257244155 IKDLMQVBFZFQOJ-ZDUSSCGKSA-N 349.460 1.807 0 40 EDAB COc1ccccc1[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCN1C 257327102 WZYAPJDGGYKVHT-INIZCTEOSA-N 341.411 1.523 0 40 EDAB CC(C)N1CCN(CC(=O)N2CCC[C@H](c3ccncn3)C2)CC1 257228975 FWBHLZHHEOJCCL-INIZCTEOSA-N 331.464 1.209 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CC[C@@H](c3nccc(C)n3)C2)ccn1 257334684 YGZCKMHUYHVWSA-CQSZACIVSA-N 325.372 1.768 0 40 EDAB CN(C)c1ncc(C(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)cn1 257262713 LMNQTSSFFDPYEA-GXTWGEPZSA-N 331.420 1.016 0 40 EDAB COc1ccc(C(=O)NCc2cnc([C@H]3CCN(C)C3)[nH]2)cc1F 257257232 KOQWYWCUSGKDGM-LBPRGKRZSA-N 332.379 1.907 0 40 EDAB CNC(=O)CN1CCC[C@@H](c2nccnc2Nc2ncccc2C)C1 257290866 QEQJTMKODGTBSZ-CQSZACIVSA-N 340.431 1.849 0 40 EDAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H]1CCCN(C2CCCCC2)C1 253370561 SMFJKQXSXJHYNR-DZKIICNBSA-N 330.494 1.880 0 40 EDAB O=C(O)[C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2ccccc2)CC1 263196501 NCTNNOWPPFMSOE-AEFFLSMTSA-N 347.411 1.932 0 40 EDAB NC[C@H](NC(=O)[C@H](N)C1CCOCC1)c1ccc2ccccc2c1 261916905 YFSMIYSKTWPBCH-ZWKOTPCHSA-N 327.428 1.710 0 40 EDAB CCN1CCN([C@@H]2CCN(c3cc(O)nc4cccnc34)C2)CC1 596120986 HIAMUISAZUVRLJ-CQSZACIVSA-N 327.432 1.552 0 40 EDAB Cc1ccc(CC(=O)N2[C@H](C(=O)NC3CC3)C[C@@H]3OCC[C@@H]32)cc1O 1615551797 YUYQVXCCLPJVMO-ZOBUZTSGSA-N 344.411 1.280 0 40 EDAB CO[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccsc1 96097471 JCILODPWCSZRSP-AWEZNQCLSA-N 348.380 1.919 0 40 EDAB O=C(COCc1ccccc1)N1CC[C@@H](Oc2ncc(F)cn2)C1 390829483 ZJLCSUVVWUCOPI-OAHLLOKOSA-N 331.347 1.812 0 40 EDAB O=S(=O)(c1cccnc1)N1CC[C@@H](Oc2ccncc2Cl)C1 575605860 NLPRWFVPCSAHBG-LLVKDONJSA-N 339.804 1.972 0 40 EDAB Cc1nc(CNC(=O)[C@@H]2CC[C@@H](N(C)Cc3ccccc3)[C@H]2O)no1 585280140 BDXLPYKVSKUIBP-INMHGKMJSA-N 344.415 1.266 0 40 EDAB O=S(=O)(NC[C@H]1CN(Cc2ccco2)Cc2ccnn21)C1CC1 585111728 GVQHIYZHHCSBBH-ZDUSSCGKSA-N 336.417 1.115 0 40 EDAB CN(C)CC(=O)N1Cc2cccn2C[C@H](CCNc2ccccn2)C1 585095605 ZTQXTIFFGGYTOP-INIZCTEOSA-N 341.459 1.905 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCCN(CC(=O)N2CCOCC2)C1 585275517 BYYHGJQFYMKRAS-LJQANCHMSA-N 348.443 1.060 0 40 EDAB O=C(CN1CSCC1=O)Nc1cc(-c2c(F)cccc2F)[nH]n1 69380960 VUSSGDYMAIKZMA-UHFFFAOYSA-N 338.339 1.826 0 40 EDAB CC(=O)NCCNC(=O)CCC(=O)N1CC=C(c2ccccc2)CC1 71893233 CYHKNCLXNOVNHJ-UHFFFAOYSA-N 343.427 1.335 0 40 EDAB COc1ccc(CNC(=O)N2CC(Cn3ccnn3)C2)cc1OC 1775985980 MUTAHVOZFCKRTR-UHFFFAOYSA-N 331.376 1.137 0 40 EDAB Cc1oc(C)c(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1C 52773395 ARSTVMKHDORXJM-AWEZNQCLSA-N 340.445 1.150 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C1 53894761 AGGWNAMMCMOLSX-AWEZNQCLSA-N 327.384 1.998 0 40 EDAB CCCc1ncc(C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)s1 78900385 UXAVOGQZMPDQJZ-JTQLQIEISA-N 347.444 1.937 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CC[C@@H](N2C(=O)CNC2=O)C1 585331486 MUJSBIUDSMDHMD-SNVBAGLBSA-N 337.763 1.115 0 40 EDAB O=C(C1CCC1)N1CCN(C[C@@H](O)COCc2ccccc2)CC1 77483212 WLPOITATAZUBSH-GOSISDBHSA-N 332.444 1.508 0 40 EDAB O=S(=O)(NC1CC1)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1 1188758758 UXUVKOBPYXFCNP-UHFFFAOYSA-N 347.311 1.560 0 40 EDAB CCCC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O 12409009 WNEXUIZAJUSZFC-GFCCVEGCSA-N 333.266 1.506 0 40 EDAB COc1cccc(NC(=O)CSc2ncnc3c2nnn3C)c1 13531789 UQGGIHUTNAJKMO-UHFFFAOYSA-N 330.373 1.498 0 40 EDAB COc1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cn1 14269137 HKRJJZHXQWKRKB-UHFFFAOYSA-N 332.335 1.667 0 40 EDAB Cc1cc(NC(=O)Cc2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 17011619 UQSNHHUOSVBDNT-CQSZACIVSA-N 333.413 1.732 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cccnc1 17169189 LKODKLZBLDFLGT-NSHDSACASA-N 337.376 1.204 0 40 EDAB COCCN(C)c1cnn([C@@H]2CCCN(C(=O)C(C)C)C2)c(=O)c1 583620166 KRSXFWMRDIFDCG-CQSZACIVSA-N 336.436 1.145 0 40 EDAB CN1C[C@H](C(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)CC1=O 1888844073 WEJCIXAMJIFXHP-GXTWGEPZSA-N 344.415 1.060 0 40 EDAB CN1CC2(C[C@@H]3CC[C@H](C2)N3Cc2cn3ccccc3n2)OCC1=O 1888860135 IAIMQCYNLORJLC-MCPYQZEQSA-N 340.427 1.689 0 40 EDAB COC(=O)C1(NC(=O)c2cccc(S(C)(=O)=O)c2)CCCCC1 25172360 AZLADZLFVNRUDY-UHFFFAOYSA-N 339.413 1.696 0 40 EDAB CC(C)Oc1ccc(C(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)cn1 238818256 BZLZWBTXMNEULD-CQSZACIVSA-N 342.399 1.250 0 40 EDAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[C@@H](Oc2cnccn2)C1 245108439 SXBWZNQCQLRBMD-AHIWAGSCSA-N 341.367 1.685 0 40 EDAB O=C(N1CCO[C@@H]2[C@@H](CNc3ncccn3)CC[C@H]21)C1(F)CCC1 1565546868 BAJOIHCRNVEFCD-MGPQQGTHSA-N 334.395 1.787 0 40 EDAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2nncn2C)cc1 1567183150 XNBZYLQOQQGGBO-AWEZNQCLSA-N 325.372 1.917 0 40 EDAB CC(C)Cn1c(CN2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 245738 LPDSMXPXEHVQQK-CYBMUJFWSA-N 347.463 1.322 0 40 EDAB COc1ccc(NC(=O)CSc2nnc3[nH]c(=O)cc(C)n23)cc1 4249891 XECSMAPUIQUHTI-UHFFFAOYSA-N 345.384 1.465 0 40 EDAB CC(=O)N[C@]1(C(F)(F)F)NC(=O)N([C@H](C)c2ccccc2)C1=O 4686615 KPASCKZYGIULJW-OQPBUACISA-N 329.278 1.694 0 40 EDAB O=C(N[C@H]1CCc2onc(CN3CCOCC3)c2C1)c1cscn1 2055732588 RCCRGEATHJYYEE-NSHDSACASA-N 348.428 1.251 0 40 EDAB Cc1cc(-c2noc(CNS(=O)(=O)N3CCCCCC3)n2)no1 585149470 VMZUTAYRGHEUBF-UHFFFAOYSA-N 341.393 1.243 0 40 EDAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@H](CC(=O)O)C4)c1 618255073 JSNWBVZYSSLVHE-LLVKDONJSA-N 342.380 1.840 0 40 EDAB Cn1cnc2c(NC[C@H](c3cccs3)N3CCOCC3)ncnc21 624496953 IQXHBALVINLRHY-GFCCVEGCSA-N 344.444 1.910 0 40 EDAB COc1ccc([C@@H](CC(=O)N[C@@H](C)Cn2cccn2)NC(C)=O)cc1 31398454 QASPDZUUCBHJDR-SUMWQHHRSA-N 344.415 1.664 0 40 EDAB COC(=O)Cc1c(C)[nH]c2nc(-c3ccc(OC)cc3)nn2c1=O 100641676 OVSUWWCVXQJRRW-UHFFFAOYSA-N 328.328 1.117 0 40 EDAB CN(C)[C@@H](CNC(=O)c1ccc(-c2nnn[nH]2)cc1)c1cccs1 40462900 RJPFBZMCIGOHCV-ZDUSSCGKSA-N 342.428 1.961 0 40 EDAB CC(C)NC(=O)CN1CCCN(c2ncnc3sccc23)CC1 40497586 KQNLLXXZBIPCKS-UHFFFAOYSA-N 333.461 1.728 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c2cccnc12 40490461 VEYJCSATTQEPRN-UHFFFAOYSA-N 333.413 1.429 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2cc(F)cc3cccnc23)n(C)c1=O 31612425 GLNMWSKAXHUFPT-UHFFFAOYSA-N 339.330 1.169 0 40 EDAB CS(=O)(=O)NCCNC(=O)c1csc(Cc2ccccc2)n1 31607080 GVHLIUFUBGMWAE-UHFFFAOYSA-N 339.442 1.013 0 40 EDAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCC(CN2CCOCC2)CC1 40539538 ASFPFHLOBPQANF-UHFFFAOYSA-N 344.415 1.854 0 40 EDAB CC(C)N1C[C@H](C(=O)NCc2ccnc(-n3cccn3)c2)CC1=O 40510794 SRYRDXSKDRWUJK-CQSZACIVSA-N 327.388 1.140 0 40 EDAB Cc1ccc(CN(C)C(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)o1 101270563 DCHDHWPJWIHJRY-QEJZJMRPSA-N 330.384 1.886 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@H](N3CC=CC3)C2)cc1N(C)C 101647571 WQKRSMJYLUQPAD-HNNXBMFYSA-N 335.473 1.696 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 52922340 SVXLVYNPAZQXPX-QZTJIDSGSA-N 329.444 1.636 0 40 EDAB COc1cc(CNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc(OC)c1 103627738 FOWMNIHPDLPWOM-APYUEPQZSA-N 331.368 1.843 0 40 EDAB CN(CCOc1ccc(Cl)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 53507818 FQIANPGOLYWBRQ-LBPRGKRZSA-N 346.836 1.547 0 40 EDAB O=C(C1CCN(c2ncnc3cccc(F)c23)CC1)N1CCOCC1 54043058 UFBUUAKVUHYXOS-UHFFFAOYSA-N 344.390 1.844 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)NCCc1cn2ccccc2n1 23319123 JZUCRHCSMWYOCC-UHFFFAOYSA-N 336.351 1.601 0 40 EDAB O=C(c1ccccc1)N1CCN(C[C@@H](O)COCc2ccco2)CC1 23409482 BLTRYLZGYPJPFO-QGZVFWFLSA-N 344.411 1.615 0 40 EDAB COC(=O)c1ccc(OC(=O)c2cccnc2N2CCOCC2)cc1 23995237 KDYLEWAJTXFKBC-UHFFFAOYSA-N 342.351 1.924 0 40 EDAB CCOC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C 310632 JCZYCSSJVFFPDK-QMMMGPOBSA-N 340.405 1.048 0 40 EDAB Cc1c(C(=O)N[C@H](C(N)=O)c2ccccc2)nnn1-c1ccccc1 55099387 PYGYEBWGRMOSMG-INIZCTEOSA-N 335.367 1.532 0 40 EDAB COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1 1259124 ODELWMUHUHJXGM-UHFFFAOYSA-N 329.360 1.489 0 40 EDAB C[C@@H]1CN(C[C@H]2CCCN2CC(=O)NCc2ccccc2)C[C@@H](C)O1 106153608 BTPCWLLZRNKUMB-ZHALLVOQSA-N 345.487 1.876 0 40 EDAB NC(=O)CN1CCC(NCc2cnc(-c3cccs3)s2)CC1 79051384 GTNJTKOSGRQJOV-UHFFFAOYSA-N 336.486 1.911 0 40 EDAB Cc1cc(C)nc(N2CCC[C@H](C(=O)NCCc3cnc[nH]3)C2)n1 79482595 WRZWISGSDFRFPK-AWEZNQCLSA-N 328.420 1.392 0 40 EDAB C[C@H]1CN(C(=O)COc2ccc(=O)n(-c3ccccc3)n2)C[C@H](C)O1 1399156 MJPUSCHKOHYBRM-KBPBESRZSA-N 343.383 1.247 0 40 EDAB Cn1c(=O)n(C)c2cc(CNCCCSc3ncccn3)ccc21 4984140 LOCJXWKJYYQHFC-UHFFFAOYSA-N 343.456 1.939 0 40 EDAB CCCCc1ccc(N2C[C@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 57256194 QHOFJPCJTNGGMX-CQSZACIVSA-N 345.443 1.762 0 40 EDAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1OC 6955074 CXCNOIXQEBGNDO-YRNVUSSQSA-N 334.328 1.160 0 40 EDAB C[C@@H](C(=O)O)n1ccc2cc(C=C3C(=O)NC(=S)NC3=O)ccc21 6956524 VSLPMMWKJOZTRF-QMMMGPOBSA-N 343.364 1.201 0 40 EDAB COCCNC(=O)CSc1nnc(C)n1-c1ccc(OC)cc1 6969559 DUCOCMRKMJDALM-UHFFFAOYSA-N 336.417 1.439 0 40 EDAB Cc1cc(=O)n(CC2(O)C[C@@H]3CC[C@@H](C2)N3)nc1-c1ccccc1 100736836 HMLQXPOFYBOJGR-HOTGVXAUSA-N 325.412 1.864 0 40 EDAB O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4ccccc4N1[C@H]25)C/C3=C/CO 100267481 PNYOGGAOQVIZDM-SENUDKJFSA-N 334.419 1.996 0 40 EDAB CCOCCCN1CC2=C(C1=O)[C@@H](c1cccc(C)c1)NC(=O)N2 35590234 YASMTEWQZBMYMY-MRXNPFEDSA-N 329.400 1.872 0 40 EDAB CC(C)N1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3nccn3C)C2)C1=O 89869816 HDGPCXQWAYOVGO-DYVFJYSZSA-N 333.436 1.351 0 40 EDAB O=C(N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1)C1(O)CCCC1 89834969 YASUXYSSZRLJLD-DLBZAZTESA-N 330.428 1.403 0 40 EDAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CC(n2cccn2)C1 57800425 BKYFZRDJEUWOQR-GFCCVEGCSA-N 328.347 1.459 0 40 EDAB CCOC(=O)c1ccc(OC[C@H](O)CNC2CCC(O)CC2)cc1 8314405 ILGABXURHDCERG-UYSNPLJNSA-N 337.416 1.496 0 40 EDAB CNC(=O)NC(=O)CN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 58158459 HWBPFWBUYDYDDE-MRXNPFEDSA-N 340.383 1.412 0 40 EDAB O=C(CN1CCN(CCc2ccncc2)CC1)NCc1ccccc1 44894497 LSZGCCAVRQTCFU-UHFFFAOYSA-N 338.455 1.558 0 40 EDAB CCNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 58283061 WYLKIYOLUSALHU-CHWSQXEVSA-N 340.468 1.093 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C)C2)c1 58280753 UXTYMKOZRLFWLA-LBPRGKRZSA-N 328.409 1.623 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@H](C)n3cncn3)CC2)nc(C(C)C)n1 44910945 TYWQTGUHIZXCIJ-AWEZNQCLSA-N 343.435 1.410 0 40 EDAB Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H]1CCS(=O)(=O)C1 44907977 FAGFSYYRGPGIQE-AWEZNQCLSA-N 341.477 1.249 0 40 EDAB O=C([C@H]1COCCO1)N1CCN(Cc2nc3ccccc3s2)CC1 48079263 DSRCHBWEOPIBTC-CQSZACIVSA-N 347.440 1.356 0 40 EDAB COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H](C)C(=O)O)c(C)c12 2125438 KEHNYBHBEQHVQD-JTQLQIEISA-N 333.340 1.550 0 40 EDAB biogenic O=S1(=O)CC[C@H](Nc2ncnc3c2cnn3-c2ccccc2)C1 58392450 JTNRDDWJMSOBCY-NSHDSACASA-N 329.385 1.415 0 40 EDAB O=C(COc1ccc(OCC2CC2)cc1)N[C@H]1CCS(=O)(=O)C1 58343173 UMODXVGHIZROHZ-ZDUSSCGKSA-N 339.413 1.158 0 40 EDAB C[C@@H]1CCCN(S(=O)(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)C1 58306601 JHRLXMYYCJIMHU-VXGBXAGGSA-N 349.522 1.253 0 40 EDAB COc1ncccc1CNC(=O)Nc1ccc(CS(C)(=O)=O)cc1 58460871 AUYLGEQYOWIWJL-UHFFFAOYSA-N 349.412 1.957 0 40 EDAB Cc1c(C(=O)N[C@H](C)c2ccncc2)cnn1[C@H]1CCS(=O)(=O)C1 58405951 FCQVSVZQXRRTNV-RISCZKNCSA-N 348.428 1.437 0 40 EDAB O=C(O)[C@]12CCCN([C@H]3CCOC3)C[C@H]1CN(Cc1cnco1)C2 107769298 VETAHCWWXYGVSD-KEYYUXOJSA-N 335.404 1.062 0 40 EDAB Cn1cc(CCNC(=O)[C@@H](c2ccccc2)N2CCSCC2)cn1 58810133 ATCWODNLILSFQQ-QGZVFWFLSA-N 344.484 1.869 0 40 EDAB COc1ccc(OCCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 58847025 OZRUPWIWKDXJNT-OAHLLOKOSA-N 327.402 1.158 0 40 EDAB C[C@@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)C[C@@H]1CCCO1 45359795 DTDIYYACNAABKY-FZMZJTMJSA-N 329.393 1.424 0 40 EDAB COCCNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 2419306 YVEHTXGAUHUZCJ-UHFFFAOYSA-N 337.379 1.977 0 40 EDAB CN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 45653704 RWWBSUOUPGTKQB-NSHDSACASA-N 332.372 1.541 0 40 EDAB CN1C(=O)N(CC(=O)NCc2cccnc2)C(=O)C12CCCCC2 45644951 CKVBNLWYBVHTQO-UHFFFAOYSA-N 330.388 1.295 0 40 EDAB C[C@@H](CNS(=O)(=O)c1ccc(F)c(F)c1F)N1CCOCC1 46303452 YQUWJDJYZDQRJJ-VIFPVBQESA-N 338.351 1.103 0 40 EDAB Cc1cc(CN2CCN(C(=O)NCCN3CCC[C@H](C)C3)CC2)on1 46381650 WVZLZPAOTARTJF-HNNXBMFYSA-N 349.479 1.542 0 40 EDAB Cn1ccc(CN2CC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)n1 107785443 KUMFYAWJYBMPGU-MSOLQXFVSA-N 328.416 1.765 0 40 EDAB Cc1nc([C@@H]2CCCN2CCN2C(=O)NC3(CCCC3)C2=O)no1 76040190 PKXJPAPFRNEMIT-LBPRGKRZSA-N 333.392 1.380 0 40 EDAB CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H]2CCC[C@H]2C(N)=O)CC1 76042433 LRMKUBSSGGZDBA-OLZOCXBDSA-N 339.436 1.404 0 40 EDAB O=C(NCCN1CCCS1(=O)=O)NCC1CCCCCCC1 61039125 RMOYKGXZZGRQMS-UHFFFAOYSA-N 331.482 1.682 0 40 EDAB Cc1ccc(F)c2c1N(C(=O)c1cn(CC(=O)N(C)C)nn1)CCC2 66787257 OHNADKQDGFPQGC-UHFFFAOYSA-N 345.378 1.407 0 40 EDAB O=C(O)[C@@H]1CCN(C(=O)COc2ccc(Br)cc2F)C1 62118102 IKGDEIYNGZXJHH-MRVPVSSYSA-N 346.152 1.900 0 40 EDAB Cc1nccn1CCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 95396081 UKZKQPIAVFHVAS-SJLPKXTDSA-N 340.427 1.917 0 40 EDAB Cc1cc(C)c(CNC(=O)c2ccc(N3CCOCC3)nc2)c(=O)[nH]1 12826253 PUYBAXIPFZLTRM-UHFFFAOYSA-N 342.399 1.153 0 40 EDAB C[C@@H]1Cc2ccccc2N1CCNC(=O)N1CCC[C@H](CC(N)=O)C1 84718122 JSBHDOZLSWYYMR-HUUCEWRRSA-N 344.459 1.735 0 40 EDAB CC(C)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1Cl 3436806 NUFFRENNQUOQLZ-JTQLQIEISA-N 326.780 1.526 0 40 EDAB COc1cc(F)c(S(=O)(=O)N2C[C@@H](CO)CC[C@H]2C)cc1OC 95454453 JWSQRHTUWKVNON-MNOVXSKESA-N 347.408 1.624 0 40 EDAB CN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN1S(C)(=O)=O 48513739 IBXJPDGLMYVDLA-JTQLQIEISA-N 336.866 1.784 0 40 EDAB CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)NC(N)=O)c1C 3521499 FSQKJTCLAHGPPO-JTQLQIEISA-N 329.356 1.846 0 40 EDAB CC[C@@H](NS(=O)(=O)c1cnn(C)c1)[C@@H](O)c1ccccc1F 95433320 FUXITPBNJKBIOD-KGLIPLIRSA-N 327.381 1.350 0 40 EDAB COc1cc(/C=C/C(=O)N2CCC[C@@H](C(=O)O)C2)cc2c1OCCO2 13260693 SXRKDPYVNREJHX-MUBLQREKSA-N 347.367 1.803 0 40 EDAB CN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3nnsc3Cl)C2)C1=O 95402589 LJVWBUUCAMZTLL-AMIZOPFISA-N 343.840 1.344 0 40 EDAB CN1C(=O)N[C@H](c2ccc(F)cc2)C2=C1CN(C[C@H]1CCCO1)C2=O 4345047 LIZJXKMNTBDKDQ-CZUORRHYSA-N 345.374 1.797 0 40 EDAB C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1nnc2n1CCC2 65565521 WTALCDJDXACBES-LBPRGKRZSA-N 339.399 1.842 0 40 EDAB O=C(OC[C@H]1CO[C@]2(O1)C(=O)Nc1ccccc12)c1ccccc1O 4717254 ZLNAFOVWKDDTGL-BBATYDOGSA-N 341.319 1.770 0 40 EDAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2ccc(F)cc2)CC1 6998546 PNYHXGUZFWPSPY-IAGOWNOFSA-N 343.402 1.856 0 40 EDAB COc1ccc(C(=O)Nc2ccccc2C(=O)OCC(N)=O)cc1 5969278 KCNAHQVKSLJQOT-UHFFFAOYSA-N 328.324 1.590 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1 7248341 OARZFPKVMCLGJL-UHFFFAOYSA-N 349.412 1.438 0 40 EDAB CCCCn1nnnc1CN[C@@H]1CCCN(c2ccc(C)nn2)C1 71859776 QBCNPCFUEUTZDH-CQSZACIVSA-N 330.440 1.330 0 40 EDAB CC1(C)NC(=O)N(CCN2CCC(Oc3ccccc3)CC2)C1=O 71824915 SCXFQLPATQUANT-UHFFFAOYSA-N 331.416 1.860 0 40 EDAB Cn1c([C@H]2CCCN2C(=O)CN2CSCC2=O)nc2ccccc21 71839187 OIEJRHHMLFGYCV-CQSZACIVSA-N 344.440 1.770 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)[C@@H]2CSc3ccccc3O2)CC1 70016300 LTOUKXJBSNCCHD-ZFWWWQNUSA-N 336.457 1.455 0 40 EDAB c1cnc(-c2nc(CN3CCO[C@@H](Cn4cccn4)C3)cs2)nc1 69391826 HKYKHMLWDPTDRZ-CQSZACIVSA-N 342.428 1.698 0 40 EDAB NC(=O)c1ccc(OCC(=O)N2CCC[C@H]2Cn2cccn2)cc1 71866682 ZXGCIUAGCSANGO-AWEZNQCLSA-N 328.372 1.052 0 40 EDAB CC(=O)N1CCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c(F)c1 17012118 YVFMEGKQRQYZRG-OTYXRUKQSA-N 340.326 1.846 0 40 EDAB Cc1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c(=O)c1CC(=O)O 20156497 AVZZRKVLBQZDBZ-UHFFFAOYSA-N 328.246 1.480 0 40 EDAB CC(C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 69452656 SPUWVKVWDUEGTR-LLVKDONJSA-N 339.436 1.417 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)COCc3ccccc3)CCO2)n1 83829907 OGXVMSLAARMTFT-AWEZNQCLSA-N 330.388 1.484 0 40 EDAB CCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(C)c1 408610345 TVCDTJRDZKYDCZ-CYBMUJFWSA-N 342.461 1.977 0 40 EDAB CCc1ccc(N2C[C@@H](C(=O)N(CCO)CC3CC3)CC2=O)cc1 83823695 QMJPFNJTNPRVFL-INIZCTEOSA-N 330.428 1.833 0 40 EDAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2noc3c2CCCC3)CC1 69514119 QFAPJWRCLYPHQP-CQSZACIVSA-N 346.431 1.108 0 40 EDAB CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2cccnc2)CC1 71920051 KQBUMHGFDSFZCO-UHFFFAOYSA-N 332.492 1.998 0 40 EDAB COc1ccc(OC)c(CCC(=O)NC[C@H]2CN(C3CC3)CCO2)c1 69739884 LWUQBNWAOHFHBA-KRWDZBQOSA-N 348.443 1.616 0 40 EDAB COC[C@@](C)(NC(=O)c1ccc(Br)cc1Cl)C(N)=O 69814398 SBZQDOHHKXHOOJ-GFCCVEGCSA-N 349.612 1.723 0 40 EDAB COc1cc(Cl)ccc1C(=O)N1CCC(CS(N)(=O)=O)CC1 69980605 BTQMDIKCKDLVGT-UHFFFAOYSA-N 346.836 1.489 0 40 EDAB Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(=O)n(C)n2)cc1 98014147 LKXLZJVBYZLRQQ-CRAIPNDOSA-N 341.411 1.986 0 40 EDAB COC(=O)Cc1c(C(=O)OC)sc2[nH]c(-c3ccoc3)nc(=O)c12 89400952 JHTRQBQYFZMOFV-UHFFFAOYSA-N 348.336 1.747 0 40 EDAB O=C(CN1CCO[C@H](Cn2cccn2)C1)NCCc1cccs1 71185546 OHBHUJKXETYHSK-AWEZNQCLSA-N 334.445 1.004 0 40 EDAB CC1(c2ccccc2)CCN(C(=O)[C@@H](N)CCS(C)(=O)=O)CC1 95996371 CURIBOQVDAKVMZ-HNNXBMFYSA-N 338.473 1.329 0 40 EDAB Cc1cnn(CCNCC(=O)NCCc2nc3ccccc3s2)c1 72253082 NKCOYCDYGTWLML-UHFFFAOYSA-N 343.456 1.750 0 40 EDAB CC(C)n1nnnc1CN1CCOC[C@@H]1CC(=O)c1ccccc1 97162974 LVTOTEWHSMNFLS-HNNXBMFYSA-N 329.404 1.728 0 40 EDAB CC[C@H](CO)NC(=O)Nc1nc2ccc(Br)cn2n1 97136393 FLQXNFFFRGIEHL-MRVPVSSYSA-N 328.170 1.384 0 40 EDAB COCc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)Cn2cncn2)o1 97148092 YIJUPOKYWMQISG-JSGCOSHPSA-N 333.392 1.953 0 40 EDAB O=c1n(Cc2nccn2CC(F)(F)F)nc2c(Cl)cccn12 95966017 SJXLGAMSCSXLDJ-UHFFFAOYSA-N 331.685 1.957 0 40 EDAB CC(C)Cc1nc(CN2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)no1 72300699 AEABMKCMQZKSMP-BDJLRTHQSA-N 335.408 1.078 0 40 EDAB CC(C)(C(N)=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 72306500 PELJFASQJWHAGE-UHFFFAOYSA-N 327.787 1.501 0 40 EDAB Cn1c(=O)c(CN2Cc3ccccc3C[C@H]2C(N)=O)nc2ccccc21 97201172 JRXMCJCOPUKHLE-SFHVURJKSA-N 348.406 1.346 0 40 EDAB Cc1nnc2ccc(N[C@H]3CCN(c4c(F)cccc4F)C3=O)nn12 88765520 RHULTMYYLUWKRH-LBPRGKRZSA-N 344.325 1.928 0 40 EDAB O=C1CC[C@@H](NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)CN1 84367852 SSWBDJKQCHGFPS-OLZOCXBDSA-N 336.823 1.497 0 40 EDAB O=C1CCc2cc(NC(=O)C(=O)N3CCCSCC3)ccc2N1 84459561 AMQYQSCAFMSCLP-UHFFFAOYSA-N 333.413 1.475 0 40 EDAB Cn1nccc1[C@H]1CNC[C@@]12CCCN(Cc1ccncc1)C2=O 306128195 GTXPIZFBFXXOQO-QAPCUYQASA-N 325.416 1.311 0 40 EDAB Cc1cc(CNCc2c(C(C)C)nn(C)c2N2CCOCC2)no1 65474794 LIUPTLOCPKAJDX-UHFFFAOYSA-N 333.436 1.966 0 40 EDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc2ccccc2c1 547877264 OTFYYTKBQJTIDU-WBMJQRKESA-N 349.408 1.998 0 40 EDAB CN(C)CCC1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1551518795 KGOIELIURIJGBD-QZTJIDSGSA-N 330.476 1.984 0 40 EDAB CCOC[C@H]1CN(C(=O)NC[C@H]2CCCn3cc(C)nc32)CCO1 527826595 KWZRVSRWCFPAAS-HUUCEWRRSA-N 336.436 1.516 0 40 EDAB O=C([C@@H]1CCCN1C(=O)c1noc2c1CCCC2)N1CCOCC1 79001313 PMEZDXXUZYVDPU-ZDUSSCGKSA-N 333.388 1.017 0 40 EDAB CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H](O)C1CCOCC1 530827046 SKIDUJDMGWYPPM-IEBWSBKVSA-N 346.471 1.754 0 40 EDAB O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc2cc[nH]c2c1 129770579 IWBSJWUKLYLVJQ-PYTWLRIVSA-N 349.390 1.705 0 40 EDAB CCOC(=O)c1cnn(-c2ccc3nnc(C(F)(F)F)n3n2)c1N 72206513 AZTPLXKWTVZOLR-UHFFFAOYSA-N 341.253 1.088 0 40 EDAB CN1C(=O)CO[C@@H](C(=O)NCc2ccccn2)[C@H]1c1ccccc1F 72241617 CMYADKCALXYLPW-IAGOWNOFSA-N 343.358 1.435 0 40 EDAB Cc1cccc(C(C)(C)CNC(=O)CCCN2C(=O)CNC2=O)c1 79297825 QRHURMVGWZFNCG-UHFFFAOYSA-N 331.416 1.721 0 40 EDAB CN(C)c1ncccc1C(=O)N[C@H]1CCN(c2ccccc2F)C1=O 78997590 DEBGMGMSVGUXBU-AWEZNQCLSA-N 342.374 1.822 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@](C)(O)CCSC)cc1F 75157571 BFSJZEAQYHKPKZ-CYBMUJFWSA-N 337.438 1.617 0 40 EDAB CSCC[C@@](C)(O)CNC(=O)C(=O)NCc1ccccc1Cl 75157639 YDMWNIQBYVJXPB-OAHLLOKOSA-N 344.864 1.577 0 40 EDAB COCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCC(C)C 217423804 VKMYYWPBJMNMJH-UHFFFAOYSA-N 330.406 1.377 0 40 EDAB O=C(c1cccc2c1OCCO2)N1CC[C@H](Oc2cccnn2)C1 225416264 GRUCZPJBKJTPEX-LBPRGKRZSA-N 327.340 1.541 0 40 EDAB CC1CCN(CCCc2noc(C(C)(C)NS(C)(=O)=O)n2)CC1 81533724 RHVVFNOWSUHOMT-UHFFFAOYSA-N 344.481 1.518 0 40 EDAB CCN1CCC[C@H](NC(=O)c2cn(CCc3ccccc3)nn2)C1 572232678 WKHWMFVUGZNLQJ-INIZCTEOSA-N 327.432 1.735 0 40 EDAB Cc1cccc(C)c1NC1=NC(N)=N[C@@]2(N1)C(=O)N(C)c1ccccc12 226762045 FZDKXFKRDSTHLL-IBGZPJMESA-N 348.410 1.819 0 40 EDAB COc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cn1 40312549 KUYDEILPENTIOE-UHFFFAOYSA-N 338.367 1.869 0 40 EDAB biogenic CC[C@H](C)NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(OC)cc1 225954537 BWPMUVLGYRJVGC-SMDDNHRTSA-N 328.434 1.590 0 40 EDAB Cc1ccn(CCNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)n1 40287227 MBAMFBQPHMHWJZ-UHFFFAOYSA-N 341.293 1.360 0 40 EDAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)C1 227161738 BIHWQWJYUFAASQ-RYUDHWBXSA-N 338.429 1.708 0 40 EDAB COc1cc(N2CCOCC2)nc(NC(=S)NC(C)(C)C)n1 225893650 MMNOFIGHQMHXTH-UHFFFAOYSA-N 325.438 1.407 0 40 EDAB C[C@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)n1)c1cnn(C)c1 195576353 RLLDPCGALPMAAT-QMMMGPOBSA-N 341.293 1.650 0 40 EDAB COc1ccccc1C[C@H](C)N(C)C(=O)NC[C@@H]1CN(C)CCN1C 96440115 WHKXXVBZPNCXFN-DOTOQJQBSA-N 348.491 1.513 0 40 EDAB O=C(c1ccnnc1)N1CCC2(CC1)CN(c1ccccn1)CCO2 96159003 UVUYPZUQOIEEIL-UHFFFAOYSA-N 339.399 1.383 0 40 EDAB Cc1ccc(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)n1C 96406472 NNEQHDUAYZNMAR-UHFFFAOYSA-N 347.440 1.787 0 40 EDAB O=C1CCC(=O)N1C1CN(S(=O)(=O)Cc2ccccc2Cl)C1 238886476 QBZTVKXVMCYJEO-UHFFFAOYSA-N 342.804 1.003 0 40 EDAB CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Nc2ncnc(Cl)c2N)C1 95097787 AMFSNMRMWKMCTH-SFYZADRCSA-N 329.788 1.104 0 40 EDAB Cc1nc(CN2CCc3ncc(Cn4cccn4)n3CC2)cs1 96196939 PWLPJNCTRBAWAF-UHFFFAOYSA-N 328.445 1.951 0 40 EDAB CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CC[C@@H]2C1 96249554 UGFUHAPZPHELPT-IUODEOHRSA-N 328.409 1.167 0 40 EDAB CN1CC[C@]2(COCCN(S(=O)(=O)c3cccc(F)c3)C2)C1 96201962 CFOFFHYBVCRBMI-HNNXBMFYSA-N 328.409 1.169 0 40 EDAB O=S(=O)(C1CC1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 96055504 JLUOEOSFHCNRBK-BPLDGKMQSA-N 338.429 1.432 0 40 EDAB Cn1nc(CNS(C)(=O)=O)c2c1CN(Cc1cccs1)CC2 96084209 JNLRMNWJTFKGFI-UHFFFAOYSA-N 340.474 1.089 0 40 EDAB Cc1nc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2ncc(F)cn2)cs1 96081315 HWSVGZTVHYNJCW-CHWSQXEVSA-N 333.392 1.760 0 40 EDAB NC1CCN(Cc2nnn3c2CO[C@@H](c2cccc(F)c2)C3)CC1 583648237 JKNUGHWIBRYOOK-QGZVFWFLSA-N 331.395 1.612 0 40 EDAB C[C@@H]1COCC[C@@H]1S(=O)(=O)NCc1noc(-c2cccs2)n1 583651525 NWFFIVMTLJVGCN-KOLCDFICSA-N 343.430 1.643 0 40 EDAB COC(=O)C[C@@H]1Cc2ccccc2N1CC(=O)NC[C@@H]1CCCO1 583651413 MRTRJIDOVFWABE-GJZGRUSLSA-N 332.400 1.276 0 40 EDAB Cc1cc(NC(=O)c2cccc(OCc3nnnn3C)c2)n(C)n1 96101330 XUJKNBJFXWPLSK-UHFFFAOYSA-N 327.348 1.083 0 40 EDAB CN(C)c1cc(C(=O)N[C@H](C[S@](C)=O)c2ccccc2)ccn1 96445387 LLAZKRXSPRDFON-IQMFZBJNSA-N 331.441 1.997 0 40 EDAB CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1ccccc1F)CC[C@H]2OC 96108527 LHCAHNPKCKGPLK-NWANDNLSSA-N 342.436 1.555 0 40 EDAB Cc1ccc(CN2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)o1 97953542 BGMIKQWZYFOQPI-OIISXLGYSA-N 334.416 1.836 0 40 EDAB Cc1cnc(N2CCC3(CC2)COCCN(CCN(C)C)C3)nc1 96239855 KBSZSBNLVCVLTD-UHFFFAOYSA-N 333.480 1.265 0 40 EDAB O=C(C[C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@@H]12)N1CCCO1 96057311 GVPGDFPYPRFTDQ-ZACQAIPSSA-N 331.416 1.330 0 40 EDAB Cn1cc(C(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)cn1 97231232 RALGQPBKKUGJFW-CQSZACIVSA-N 330.319 1.466 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@H](c2ccc(O)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 95101358 NAIPXCJKLWSVPB-QIIPPGSGSA-N 346.383 1.828 0 40 EDAB C[S@](=O)CCNC(=O)NCCOc1ccccc1C(F)(F)F 96408889 QFYCMKNSDYCCNH-JOCHJYFZSA-N 338.351 1.762 0 40 EDAB NS(=O)(=O)c1ccc(F)c(CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 584906926 JKYHXXFTVXKDRW-SDDRHHMPSA-N 340.420 1.916 0 40 EDAB CCS(=O)(=O)N1CC[C@H]2CO[C@H](CN(C)Cc3ccco3)[C@H]2C1 96056311 RZQHBUYCYWIEMG-CWRNSKLLSA-N 342.461 1.398 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(C[C@H](C)c2ccc(OC)cc2)C1 245770258 XDPURDPIULQPDG-BBRMVZONSA-N 326.462 1.812 0 40 EDAB Cc1nocc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 585125363 PFXQUZVTSRQNPN-LLVKDONJSA-N 343.339 1.746 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)CN(C)C 585115394 YKSGOCPQUXEMCV-WFASDCNBSA-N 342.509 1.778 0 40 EDAB CCOC(=O)C1=C(CN2C[C@H](C)O[C@@H](C)C2)NC(=O)N[C@H]1CC 245237498 LDBDWMDKBYEMAL-SRVKXCTJSA-N 325.409 1.004 0 40 EDAB CN(C)S(=O)(=O)N(C)Cc1nc(-c2nccc3ccccc23)no1 585133700 RIQAXEIFADEXHN-UHFFFAOYSA-N 347.400 1.523 0 40 EDAB CS(=O)(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 247554521 WYLDITVFIMJZSM-GMXVVIOVSA-N 332.447 1.099 0 40 EDAB C[C@@H]1Oc2cc(S(=O)(=O)NCc3ccccc3)ccc2NC1=O 252488952 JCOHVBZCMGKSDE-NSHDSACASA-N 332.381 1.885 0 40 EDAB CCCn1ccc(C(=O)N2CC[C@H](c3ncc(CNC(C)=O)[nH]3)C2)n1 257339587 ZCKFJAYSECPINH-ZDUSSCGKSA-N 344.419 1.282 0 40 EDAB COc1ccc(F)cc1C(=O)NCc1cnc([C@H]2CCN(C)C2)[nH]1 257216472 CUPZNCBJKYQYDG-NSHDSACASA-N 332.379 1.907 0 40 EDAB CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2ccc(F)cn2)n1 257302264 SCFFTYJFIJHMJZ-INIZCTEOSA-N 329.379 1.984 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(C(=O)c3ccon3)CCO2)ccn1 257335615 YLBSHVSYALPXLD-AWEZNQCLSA-N 330.388 1.609 0 40 EDAB Cc1nc(C)c(C(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)s1 257280931 OMZIIKLJBIYQMS-INIZCTEOSA-N 332.429 1.526 0 40 EDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)Cn2cccn2)n1 257273460 NGQRYKJQBBNDIP-INIZCTEOSA-N 327.388 1.278 0 40 EDAB Cc1nnc2n1CCC[C@H]2NC(=O)c1ccc(CCN(C)C)cc1 1615054746 IXBWIWSDMROQLS-MRXNPFEDSA-N 327.432 1.956 0 40 EDAB Cc1n[nH]c(C)c1CN1CCOC[C@@](O)(COc2cccc(F)c2)C1 585278093 ZNMOKATVAKLBLL-GOSISDBHSA-N 349.406 1.808 0 40 EDAB COCC(=O)N[C@@H]1COCCC12CCN(C(=O)C1(F)CCC1)CC2 585103226 AGIFMOFNVBWUOI-CYBMUJFWSA-N 342.411 1.039 0 40 EDAB CNC(=O)C[C@@]1(COC)CCCN1C(=O)c1cnc2ccccc2c1 585279047 SBSYJJKSYIUARP-LJQANCHMSA-N 341.411 1.992 0 40 EDAB CSc1nnc(CN2C(=O)N[C@](C)(c3ccccn3)C2=O)s1 69769048 CWNCEECVKLCVKN-CYBMUJFWSA-N 335.414 1.622 0 40 EDAB C[C@@H]1CN(C(=O)CCn2cc(Br)ccc2=O)[C@H](C)CO1 70040656 UQVJMNKBQYCGGG-GHMZBOCLSA-N 343.221 1.637 0 40 EDAB Cn1ncc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)n1 935971529 QFXJXTBEKTYWHL-UHFFFAOYSA-N 342.325 1.226 0 40 EDAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@@H](n2cncn2)C1 72234714 OXMJSTCCWSKUHG-CQSZACIVSA-N 328.372 1.456 0 40 EDAB NC(=O)c1cccc(CCNC(=O)c2cccc(-c3ncon3)c2)c1 74346142 KMDIJWXJHQFALN-UHFFFAOYSA-N 336.351 1.808 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)CNC(=O)Cc2cccc(F)c2)C1(C)C 75143492 PDCGITFZTFAGSF-GJZGRUSLSA-N 336.407 1.804 0 40 EDAB O=C(CNc1ccc(C(=O)NCCCO)cc1)NC(C1CC1)C1CC1 75147303 UZDXTOQEZACXNA-UHFFFAOYSA-N 345.443 1.516 0 40 EDAB Cc1cccc(-c2ccc(C(=O)N[C@@H](C)c3nncn3C)c(=O)[nH]2)c1 75122033 YZBGHRFMFKXIJR-LBPRGKRZSA-N 337.383 1.970 0 40 EDAB NC(=O)CNC(=O)c1cccc(OCCCOCC(F)(F)F)c1 76019709 FWFONRSPAJDRGT-UHFFFAOYSA-N 334.294 1.250 0 40 EDAB C[C@](CO)(NC(=O)[C@@H]1COCCO1)c1cccc(C(F)(F)F)c1 585112874 GWGQKFSGADCFNT-GXTWGEPZSA-N 333.306 1.445 0 40 EDAB C/C=C/C=C/C(=O)OCC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 5137827 QKPZBVACIGGOKG-YTXTXJHMSA-N 337.397 1.941 0 40 EDAB Cc1ccc(-c2nnc(NC(=O)CN3C(=O)CCC3=O)o2)cc1C 5372112 QRODXHDYJOVYEH-UHFFFAOYSA-N 328.328 1.441 0 40 EDAB CNP1(NC)=N[P@](NC)(N2CC2)=N[P@](NC)(N2CC2)=N1 5760012 AWFLVMILNQNDCC-BGYRXZFFSA-N 339.265 1.347 0 40 EDAB Cc1occc1-c1nn(CC(=O)N2CCc3ccccc32)c(=O)o1 12143007 XGZIFKCTYSWKHU-UHFFFAOYSA-N 325.324 1.994 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1nc2n(C)c3ccccc3n2c1=O 19496233 PCJDTYMSGMJBOA-OLZOCXBDSA-N 341.415 1.683 0 40 EDAB CC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(N(C)C)cc1 19535080 ZWIFWWZXULZSPI-NCXUSEDFSA-N 331.412 1.970 0 40 EDAB CC(C)[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)NC(N)=O 6419564 FELCJGXCGJJEKC-CQSZACIVSA-N 338.335 1.551 0 40 EDAB CC(C)c1ccccc1NCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 11621784 LCYKCWURJACJSS-UHFFFAOYSA-N 342.399 1.872 0 40 EDAB Cc1cc(N(C)C)nc(N2CCN(c3ncc(Cl)cn3)CC2)n1 1888842884 WMISEXRTPZEKDB-UHFFFAOYSA-N 333.827 1.621 0 40 EDAB Cc1ccccc1OCC(=O)NCC1(O)CSCCSC1 1888864266 CYGWUJNJJHVOKF-UHFFFAOYSA-N 327.471 1.701 0 40 EDAB CSc1nc2nc(C)c(CC(=O)Nc3nncs3)c(C)n2n1 21216362 JVGXZXIPCJRUOP-UHFFFAOYSA-N 335.418 1.496 0 40 EDAB Cc1ccccc1CCNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 23612357 RJAOJOGEFWRJNT-HZPDHXFCSA-N 328.412 1.829 0 40 EDAB COc1cc(F)ccc1NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 25310169 YGNSUNXVODPLIX-VXGBXAGGSA-N 334.347 1.948 0 40 EDAB Cc1nnc(CNC(=O)c2ccc(OCC3CCOCC3)nc2)o1 245174456 YNDLGAWYPRVZCM-UHFFFAOYSA-N 332.360 1.508 0 40 EDAB Cc1cncc(C(=O)N2CC[C@]3(COCC(=O)N(C(C)C)C3)C2)c1 2037984602 GTIRRKHAGUUIEY-SFHVURJKSA-N 331.416 1.490 0 40 EDAB O=C(N1C[C@H](OCCCn2cccn2)[C@H]2OCCC[C@H]21)C1(F)CC1 1565546999 INALSXFYVDEMIL-ILXRZTDVSA-N 337.395 1.550 0 40 EDAB Cc1ccc(Cn2c(=O)c3c(nc4n(C)c(C)cn34)n(C)c2=O)cc1 4250902 KZGSBEFUXOWLHZ-UHFFFAOYSA-N 337.383 1.352 0 40 EDAB COc1cccc(N2C[C@H](NC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)c1 4373275 YRLFJJGXRLIRBJ-MELADBBJSA-N 347.415 1.619 0 40 EDAB O=C1C[C@@H](NS(=O)(=O)c2cccs2)CN1c1ccc(F)cc1 4497777 FYGQABHFBLYAHU-LLVKDONJSA-N 340.401 1.971 0 40 EDAB Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C2CC2)n1 12006171 DEDBLOHNTPWYNE-UHFFFAOYSA-N 325.328 1.873 0 40 EDAB COCCNC(=O)[C@@]1(Nc2ccccc2)CCCN(C(=O)C2CC2)C1 2055750810 ACKAOIZJAMREPG-LJQANCHMSA-N 345.443 1.632 0 40 EDAB CNC(=O)C[C@H]1C[C@H]2CN(C(=O)c3nc4ccccn4c3C)C[C@H]2O1 2055717984 RDVJLAZSWLAJQE-BFHYXJOUSA-N 342.399 1.008 0 40 EDAB O=C(CN1CCN(C[C@@H](O)c2ccco2)CC1)NCc1ccccc1 27203065 QJBNYWIQSVRWCT-QGZVFWFLSA-N 343.427 1.247 0 40 EDAB COc1ccccc1C1(C(=O)NCCOCCn2ccnc2)CC1 575619040 FZYZBODCPKYQLO-UHFFFAOYSA-N 329.400 1.756 0 40 EDAB CC(C)c1nc(S(=O)(=O)N[C@@H](Cn2ccnn2)C(C)C)cn1C 575617355 VTVLZQMPKQILQG-LBPRGKRZSA-N 340.453 1.138 0 40 EDAB Cc1cc(OC2CN(C(=O)Cc3ccc(F)cc3)C2)n2ncnc2n1 618255365 BSTNLEOFUCWQOE-UHFFFAOYSA-N 341.346 1.404 0 40 EDAB Brc1ccc(N2CCC[C@H](CN3CCOCC3)C2)nn1 585133132 VUQRZHNJDZSHBD-GFCCVEGCSA-N 341.253 1.788 0 40 EDAB Cc1ccn2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)nc2c1 9830169 JXZGUTOOTWCIPU-UHFFFAOYSA-N 327.315 1.778 0 40 EDAB O=c1c2c3c(sc2ncn1C[C@@H](O)CN1CCOCC1)CCCC3 28689967 TVPSPVVVGXSIJO-LBPRGKRZSA-N 349.456 1.030 0 40 EDAB C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 30126613 IKLLRAWPPSWTDH-NSHDSACASA-N 339.413 1.536 0 40 EDAB O[C@H](CN1CCOCC1)Cn1c(C(F)(F)F)nc2ccccc21 20059901 FPIYBMQBAZLXNK-LLVKDONJSA-N 329.322 1.748 0 40 EDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)c1ccc2c(c1)NC(=O)CO2 31819434 VBXUZEQMGPKFNZ-SSDOTTSWSA-N 345.384 1.335 0 40 EDAB CN(CC(=O)NC1CC1)C(=O)CCOc1ccc(F)c(Cl)c1 40533841 QQCNVODNLFPNLG-UHFFFAOYSA-N 328.771 1.985 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2cc(C)on2)c1 40520513 QYIHDQHTKVOHRY-UHFFFAOYSA-N 326.374 1.821 0 40 EDAB Cc1ccsc1C(=O)NCCNS(=O)(=O)Cc1ccccc1 32022328 ZOROZCCZBFCYPL-UHFFFAOYSA-N 338.454 1.906 0 40 EDAB COc1ccc2c(ccn2CC(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 20714664 OQCSLTNNUVVGCH-MRXNPFEDSA-N 336.413 1.343 0 40 EDAB Cc1ccnn1-c1ccc(C(=O)NCCCN2CCCC2=O)cc1 20896702 QUXPKHLCLOZJGZ-UHFFFAOYSA-N 326.400 1.923 0 40 EDAB O=C(NCc1ccccc1)c1nn(-c2ccccc2F)nc1CO 21149066 CLNVGENJUFYIGB-UHFFFAOYSA-N 326.331 1.829 0 40 EDAB Cc1nc(C2=C(O)CN([C@H]3CCS(=O)(=O)C3)C2=N)sc1C 102734120 ZBTMEYAUGIOYLP-VIFPVBQESA-N 327.431 1.509 0 40 EDAB CC(=O)N1CCCN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC1 41844341 DTBWGPISOPQLKP-UHFFFAOYSA-N 343.383 1.184 0 40 EDAB Cc1nc(CNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cs1 42118460 DZDIFXYYOGDROH-CQSZACIVSA-N 343.412 1.188 0 40 EDAB Cc1cc(NC(=O)C2CCN([C@@H](C(N)=O)c3ccccc3)CC2)no1 54640088 WHPOGQLFXLATFC-MRXNPFEDSA-N 342.399 1.860 0 40 EDAB C[C@@H](c1ccsc1)N1CCN(C(=O)NCCC[S@](C)=O)CC1 97142711 RJZKPAIKXMFYAW-WHEQGISXSA-N 343.518 1.905 0 40 EDAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)NC[C@H]1CCCO1 51842 XJZRLMWYJDFCTE-SNVBAGLBSA-N 343.412 1.893 0 40 EDAB O=C(O)CCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)CC(=O)N2 95714 RMODALJYNPJOEK-JTQLQIEISA-N 329.316 1.013 0 40 EDAB CN(C(=O)CN1CCC[C@@H]1c1cccs1)[C@H]1CCS(=O)(=O)C1 24821936 OEAHEVHBQBMEMG-QWHCGFSZSA-N 342.486 1.531 0 40 EDAB CC(C)NC(=O)CCCC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 77140026 KAGCKERMKVJLFH-STQMWFEESA-N 332.466 1.153 0 40 EDAB Cn1nc(Br)c2c(N[C@H](CO)C(C)(C)C)ncnc21 78821660 RBBWKYALUMNHKK-SSDOTTSWSA-N 328.214 1.945 0 40 EDAB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1cnn(CC)c1 78898800 CKWADOQRIYFTQW-CVEARBPZSA-N 342.509 1.831 0 40 EDAB NC(=O)c1cc([C@H]2CCCN(C[C@@H](O)c3ccccc3F)C2)n[nH]1 78900414 UBBBOPJKRFPQOV-MEDUHNTESA-N 332.379 1.561 0 40 EDAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC(C)C)cc1 3331981 PRNZOBWTKVFLHW-UHFFFAOYSA-N 328.434 1.621 0 40 EDAB CN(C)S(=O)(=O)c1cccc2c(S(=O)(=O)N(C)C)cccc12 4175817 WSMQKKWVMKNHOH-UHFFFAOYSA-N 342.442 1.340 0 40 EDAB COc1ccc(-n2nnn(CN3C[C@@H](C)O[C@H](C)C3)c2=S)cc1 25460365 UKCZURHKUIXYQX-VXGBXAGGSA-N 335.433 1.874 0 40 EDAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cnn(C)c2C)NC(=O)N1 6527555 RPGLSNJOPBVBAK-HNNXBMFYSA-N 325.372 1.995 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C1 56489525 RWQMSKSBIVPSSU-CZUORRHYSA-N 345.399 1.426 0 40 EDAB C[C@H]1CCCN(C(=O)CN[C@H](CO)c2cc(F)c(F)c(F)c2)C1 96006501 MOQLHKMCZAGJOO-IINYFYTJSA-N 330.350 1.985 0 40 EDAB O=C(N[C@H]1C[C@H]2C(=O)Nc3ccccc3C(=O)N2C1)c1cccnc1 8296913 TUQJKYPTOYFKGX-WFASDCNBSA-N 336.351 1.047 0 40 EDAB biogenic,in-vitro CNC(=O)c1cc(O[C@H]2CCCN(c3ccnc(C)n3)C2)ccn1 521398625 VFZOYMCPMQJMMP-AWEZNQCLSA-N 327.388 1.587 0 40 EDAB COc1ccc([C@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)cc1 57406600 FWSOBTCFQHYWNZ-MRXNPFEDSA-N 329.400 1.430 0 40 EDAB O=C1CC[C@H]2CN(S(=O)(=O)CC3CCCC3)CC[C@@H]2N1C1CC1 108375779 SQOBGAMPQKHBTP-HOCLYGCPSA-N 340.489 1.982 0 40 EDAB C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nn1cnc2ccccc21 57827947 DYQNJZQENUHUBU-NSHDSACASA-N 348.366 1.801 0 40 EDAB COCCNC(=O)[C@H](C)S(=O)(=O)Cc1c(F)cccc1Cl 44641535 JTMYWTUNWAAVST-VIFPVBQESA-N 337.800 1.545 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)CCc2ccsc2)c1 27302111 KJTZXPYRNAHPSP-UHFFFAOYSA-N 338.454 1.905 0 40 EDAB Cn1cc(CN2CC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cn1 107226537 JTHLGIYEZXSOMJ-ZBFHGGJFSA-N 332.383 1.195 0 40 EDAB Cc1ccc(-n2nc(C)c(C(=O)N3CCN(C)CC3)n2)cc1Cl 59843349 PQUOJSHAIPRZCU-UHFFFAOYSA-N 333.823 1.925 0 40 EDAB CC[C@H]1CN(C(=O)COc2cc(Cl)ccc2C(N)=O)CCO1 58184421 ZNCXQKZWTWJTSD-NSHDSACASA-N 326.780 1.455 0 40 EDAB CN(C)[C@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 58190438 JPEPCYNHCJPNDA-QGZVFWFLSA-N 336.399 1.695 0 40 EDAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2nnn[nH]2)cc1 44888971 LLNXEVIWFSBCMQ-KRWDZBQOSA-N 348.410 1.871 0 40 EDAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)C1=COCCO1 9455194 CMMJKCMBJNXFAH-UHFFFAOYSA-N 338.791 1.693 0 40 EDAB CN(C1CCN(C(=O)c2cc3ccccc3n2C)CC1)S(C)(=O)=O 58247524 IZVWBTWSGOCVDU-UHFFFAOYSA-N 349.456 1.674 0 40 EDAB C[C@@H]1CN(CCNC(=O)c2csc(-c3cnn(C)c3)n2)C[C@@H](C)O1 44958284 XXAYAPZTZKHQNI-VXGBXAGGSA-N 349.460 1.383 0 40 EDAB CCCc1noc([C@@H](C)N2CCC(NC(=O)c3cnn(C)c3)CC2)n1 44950303 VHQZUEYUYWLKLH-GFCCVEGCSA-N 346.435 1.711 0 40 EDAB CCCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2ccccc2C)CC1 58378412 FZZSWGCRHPLZPJ-MRXNPFEDSA-N 331.460 1.596 0 40 EDAB CCc1nnsc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 58403922 IFGVJCYQJOQPMC-UHFFFAOYSA-N 326.422 1.793 0 40 EDAB C[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)c(F)c1 11010575 XHBWSDKYWCSCOP-BDAKNGLRSA-N 347.339 1.270 0 40 EDAB CS(=O)(=O)c1ccc([C@@H](O)CN2CCC(c3cn[nH]c3)CC2)cc1 97203367 RZCMIWCBFVKRJN-KRWDZBQOSA-N 349.456 1.726 0 40 EDAB O=C1NCCCC[C@H]1Sc1nnc(NC[C@@H]2CCCO2)s1 11496774 SGTPEOWYXXQNPO-VHSXEESVSA-N 328.463 1.890 0 40 EDAB Cc1nn(CC(=O)NC2CCN(C3CC3)CC2)c(=O)c2ccccc12 29095288 AQDNHUODZUORBA-UHFFFAOYSA-N 340.427 1.448 0 40 EDAB Cc1nnnn1-c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 72406050 HTRPQKXZCXOPRL-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB Cc1nc(NC(=O)CNS(=O)(=O)c2cccs2)sc1C 46412691 JWZGYCJCAWCADN-UHFFFAOYSA-N 331.444 1.738 0 40 EDAB COc1ccc(C(N)=O)c(OCc2cc(=O)n3ccccc3n2)c1 29904498 OYAWMTPDOMLUAN-UHFFFAOYSA-N 325.324 1.381 0 40 EDAB O=C(NC1CCN(c2ncccn2)CC1)c1cc2ccccc2c(=O)[nH]1 46610950 GOEKKXKLYZFOFT-UHFFFAOYSA-N 349.394 1.717 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N(C)CCCc2ccccc2)o1 46639908 SPQODPPUTPNYFY-UHFFFAOYSA-N 336.413 1.893 0 40 EDAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H]1CCN2CCCC[C@H]12 46998047 YCDDCVLPQAHKLM-IAGOWNOFSA-N 325.412 1.856 0 40 EDAB CN1C[C@H](C(=O)NCc2ccnc(Oc3ccccc3)c2)CC1=O 46916878 WLXXNCNKVVWGBR-CQSZACIVSA-N 325.368 1.968 0 40 EDAB Cc1nn(C)c(C)c1CC(=O)OCC(=O)N1CCc2ccccc21 10199399 CSMBTOOGXUPUGR-UHFFFAOYSA-N 327.384 1.712 0 40 EDAB CCc1nn(C)c2[nH]nc(NC(=O)c3ccc(Cn4cccn4)o3)c12 95397620 OPEQOJGDGPCPCB-UHFFFAOYSA-N 339.359 1.949 0 40 EDAB CCn1nc(C(=O)N[C@H](CC(=O)O)c2ccc(Cl)cc2)ccc1=O 95398105 XKJGUQYXJXOZHO-CYBMUJFWSA-N 349.774 1.862 0 40 EDAB O=C(OCn1nnc2ccccc2c1=O)c1ccc(Cl)cc1O 3309425 PZMGNMIMCQKKRE-UHFFFAOYSA-N 331.715 1.965 0 40 EDAB O=S1(=O)CC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2)C1 37998864 SNZUJIDBQLAPDD-VIFPVBQESA-N 339.385 1.530 0 40 EDAB Cc1occc1C(=O)N1CCC(NC(=O)Cn2ccccc2=O)CC1 48341393 PHIFKMXMZRCXLM-UHFFFAOYSA-N 343.383 1.171 0 40 EDAB COc1ccc(CCNC(=O)CSc2nc(N)cc(N)n2)cc1 3425638 QYOUBCQHJQJUOL-UHFFFAOYSA-N 333.417 1.101 0 40 EDAB CC(C)[C@@H](CNC(=O)NCc1cccnc1-n1cccn1)N(C)C 48497403 PXBQKMKWPDTRAS-OAHLLOKOSA-N 330.436 1.653 0 40 EDAB NC(=O)CC1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1 49394604 CUXCLJXJJXSKEM-UHFFFAOYSA-N 328.771 1.972 0 40 EDAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4OC)C(=O)[C@H]13)O2 4042964 RKTXWYRYYFZZSC-OAFZBRQQSA-N 343.379 1.935 0 40 EDAB biogenic CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCO 5040362 VCESLYYGNRHRQD-UHFFFAOYSA-N 349.456 1.786 0 40 EDAB CC(C)N(C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O)C(C)C 6159762 BBRMFIIMEQMLET-UHFFFAOYSA-N 346.383 1.471 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)c2cccc3c2OCCO3)C1 65592147 BKYJALOUDFLGFR-AWEZNQCLSA-N 334.416 1.544 0 40 EDAB CC(=O)[C@@H]1CC(C(=O)NCCC(=O)NC(C)C)=NN1c1ccccc1 65565185 GANMSGJNVHPVHQ-INIZCTEOSA-N 344.415 1.241 0 40 EDAB CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc([C@@H]2COCCO2)n1 95450947 VLRUQTIFBSYQEZ-QWRGUYRKSA-N 341.364 1.466 0 40 EDAB O=C(N[C@H]1CCSC1=O)c1cc2c(=O)n3ccccc3nc2s1 5610111 IGUHIVGNXOZYCB-VIFPVBQESA-N 345.405 1.671 0 40 EDAB COCCCN(C)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 66963184 SPKUNTLCRLBPBG-UHFFFAOYSA-N 345.421 1.369 0 40 EDAB CCC[C@@H]1C(=O)NCCN1c1nc(N(C)C)cc(C(F)(F)F)n1 95451659 WGRJINBCMGKPLV-SECBINFHSA-N 331.342 1.666 0 40 EDAB O=C(N[C@H](c1ccccc1)c1ccncc1)[C@H]1CCS(=O)(=O)C1 68262116 HEOYGLRFCXKROS-JKSUJKDBSA-N 330.409 1.722 0 40 EDAB Cn1c([C@H]2CCCN2C(=O)[C@H]2CCS(=O)(=O)C2)nc2ccccc21 71839179 QBWLLBYQZVYLFX-SWLSCSKDSA-N 347.440 1.672 0 40 EDAB COC(=O)c1ccc(CCC(=O)N2CCCN(C(=O)OC)CC2)cc1 68329484 HSJWXVXPJNZJMS-UHFFFAOYSA-N 348.399 1.707 0 40 EDAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H](N2CCNC2=O)C1 71830348 DYXBFLANUQSZNL-CQSZACIVSA-N 341.415 1.361 0 40 EDAB C[C@@H](C(=O)NCCc1cccs1)N1CCCC[C@@H]1Cn1cncn1 71878729 ARCVHMTVYIIXDR-LSDHHAIUSA-N 347.488 1.942 0 40 EDAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1cc(F)ccc1F 7866088 DDJCCEXSLJBNSE-YFKPBYRVSA-N 326.332 1.434 0 40 EDAB Cc1nn2c(NC(=O)CSC3=NCCS3)csc2nc1=O 20720824 QAFHSHPBTZBZDX-UHFFFAOYSA-N 341.443 1.234 0 40 EDAB CC(=O)N1CCC[C@H](S(=O)(=O)N[C@@H](C)c2ccc(F)c(F)c2)C1 71911200 GJLWSTHXERJPON-GWCFXTLKSA-N 346.399 1.956 0 40 EDAB O=C(Cn1nc2n(c1=O)CCCCC2)N1CCOc2cc(F)ccc21 71911060 RDMCPJGJQNYWMZ-UHFFFAOYSA-N 346.362 1.336 0 40 EDAB CC(C)Cn1nnnc1S[C@@H](C)C(=O)NCC(=O)c1ccccc1 71916378 KMOZBNJYKAIDPF-LBPRGKRZSA-N 347.444 1.809 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)Nc1nnc(CCC(=O)OC)s1 71915065 GZEJGZZVFDKFKE-SNVBAGLBSA-N 342.421 1.534 0 40 EDAB CC(C)CN1CCN(c2ccc(S(N)(=O)=O)c3cccnc23)CC1 95965815 XUYQOHZIPXVIMJ-UHFFFAOYSA-N 348.472 1.660 0 40 EDAB CC1(C)c2ccccc2CCN1C(=O)Cn1nc2ccccn2c1=O 95983838 FXXLOYCLVLAXTR-UHFFFAOYSA-N 336.395 1.816 0 40 EDAB C[C@@H](NS(C)(=O)=O)C(=O)Nc1nnc(CC2CCCCC2)s1 70039163 WWMYRQMSPASTJP-SECBINFHSA-N 346.478 1.537 0 40 EDAB C[C@@H](O)CN1CCN(C(=O)c2ccccc2OC[C@@H]2CCCO2)CC1 70019133 TZEYVXKITOIEKC-CVEARBPZSA-N 348.443 1.383 0 40 EDAB Cc1nc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)n[nH]1 69370691 XUOVBIDHHRGMOR-UHFFFAOYSA-N 349.416 1.540 0 40 EDAB CCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C 409387653 AVNBVWFWLUQIDB-UHFFFAOYSA-N 342.461 1.977 0 40 EDAB Cc1cc(NC(=O)CN2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)no1 69421206 FLNCDNHRQREPDH-GWCFXTLKSA-N 328.372 1.789 0 40 EDAB CN1CCN([C@@H](C(=O)NO[C@@H]2CCCCO2)c2ccccc2)CC1 69534583 UDGSALYYQCJXHB-IAGOWNOFSA-N 333.432 1.550 0 40 EDAB Cc1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(c3ccccc3F)C1)C2 69558605 MNJGACXZGYIACM-LBPRGKRZSA-N 343.362 1.121 0 40 EDAB COc1ccccc1[C@H]1C[C@H]1C(=O)NCCN1CCN(C(C)=O)CC1 69510607 MYHVOVXLBUVLRA-IAGOWNOFSA-N 345.443 1.079 0 40 EDAB CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)[nH]1 69529210 CUYPWPGFOWEDKO-RKDXNWHRSA-N 340.792 1.604 0 40 EDAB O=[S@@](CCNS(=O)(=O)N1CCCCCC1)c1ccccc1 69619942 DGFFIIJOUKLKLA-HXUWFJFHSA-N 330.475 1.505 0 40 EDAB Cc1noc([C@H](C)N2CCN(C[C@H](O)COc3ccccc3)CC2)n1 69628426 KBBXSQNGMDWMRB-HOCLYGCPSA-N 346.431 1.497 0 40 EDAB Cc1ccc(N2CCCN(C(=O)[C@@H](C)Cn3cccn3)CC2)nn1 69707505 MUFRYLZTADWAJS-AWEZNQCLSA-N 328.420 1.357 0 40 EDAB COC(=O)[C@H](CNC(=O)Nc1nncs1)Cc1cccc(C)c1 69704770 XVKSCFVMWYOEEP-LBPRGKRZSA-N 334.401 2.000 0 40 EDAB Cn1cc(CCC(=O)NS(=O)(=O)N2CCCc3ccccc32)cn1 69701519 XDSHICUOMKCUEO-UHFFFAOYSA-N 348.428 1.167 0 40 EDAB CCCN1CCCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 69775256 WHWJRGQIOMSIES-UHFFFAOYSA-N 339.461 1.200 0 40 EDAB O=C(/C=C/c1cccs1)NCCS(=O)(=O)N1CCSCC1 69899805 ODSNGSRDCLNCTN-ONEGZZNKSA-N 346.499 1.256 0 40 EDAB COc1cc(Cl)ccc1CNC(=O)N[C@@H]1CCS(=O)(=O)C1 69845583 ONTVIOPXOHPNSE-LLVKDONJSA-N 332.809 1.335 0 40 EDAB Cc1nc2n(n1)C[C@H](NCCC(=O)N1CCc3sccc3C1)CC2 69952035 DEIAUSMXQJXVBH-CQSZACIVSA-N 345.472 1.527 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1Cl 8705778 ZOFFVKZCBDXOBK-UHFFFAOYSA-N 325.752 1.618 0 40 EDAB C[C@@H](NC1CCN(c2nccs2)CC1)C(=O)NCc1ccco1 97081096 YCLLFGKFQBEOGE-GFCCVEGCSA-N 334.445 1.999 0 40 EDAB Cc1nnc(CN2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)o1 97049035 QACFZWSRVHGULI-HNNXBMFYSA-N 349.822 1.376 0 40 EDAB Cn1c(=O)ccn(CC(=O)Nc2cc(C3CCCCCC3)[nH]n2)c1=O 72290240 TXCRWQZRWQZLSD-UHFFFAOYSA-N 345.403 1.347 0 40 EDAB c1ccc(Cn2nnnc2CN2CCO[C@@H](c3nccs3)C2)cc1 97199802 ZZNYMKQYSPSDGU-CQSZACIVSA-N 342.428 1.751 0 40 EDAB CCNC(=O)c1ccc(NCCc2csc(N3CCCC3)n2)nn1 95965244 GUQMDVXGBXQNFG-UHFFFAOYSA-N 346.460 1.938 0 40 EDAB CC(=O)NC(C)(C)C(=O)Nc1nc2ccc(Br)cn2n1 85760570 MYDBMGIXPGIVLD-UHFFFAOYSA-N 340.181 1.345 0 40 EDAB NC(=O)Cn1cc(NC(=O)c2cnc(-c3ccsc3)s2)cn1 75137324 DENQMBTZZWDJEU-UHFFFAOYSA-N 333.398 1.806 0 40 EDAB COCC[C@@]1(C(=O)N2CCOCC2)CCN(C(=O)OC(C)(C)C)C1 75106025 AXVMFUGNUDJOGW-KRWDZBQOSA-N 342.436 1.509 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCc2cccc3cccnc23)C[C@@H](C)O1 89936753 GGZHPYHYZXCZOY-OKILXGFUSA-N 349.456 1.721 0 40 EDAB Cc1cc(C)n(C2CN(C[C@H](O)CN3CCc4ccccc4C3)C2)n1 75606091 LXLOQLFKAZWXTK-HXUWFJFHSA-N 340.471 1.776 0 40 EDAB Cc1nc(C(=O)N[C@@H](C)C(=O)NCc2ccccc2)c2n1CCCC2 76094899 NROATNUSFWSUOI-ZDUSSCGKSA-N 340.427 1.963 0 40 EDAB O=C1C[C@H](C(=O)N2CCc3ccc(O)cc3C2)CN1CC(F)(F)F 76998620 WGAZOMBHFFYVTG-LBPRGKRZSA-N 342.317 1.688 0 40 EDAB CC(C)(C)c1nn2cnnc2n(NC(=O)Nc2ccccc2)c1=O 26442198 DLVUFHZTHLVXKJ-UHFFFAOYSA-N 327.348 1.359 0 40 EDAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 28577334 VPRYJXIQUBDDAA-CYBMUJFWSA-N 345.486 1.758 0 40 EDAB CC(=O)N1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 306124599 BUBBPDAVVLOICN-CHWSQXEVSA-N 325.372 1.181 0 40 EDAB Cn1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1=O 31543072 COCITEGXGBQXEK-KRWDZBQOSA-N 325.412 1.780 0 40 EDAB Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C)c2)c1 408550562 DLCMSJUPWIUHBE-UHFFFAOYSA-N 325.368 1.997 0 40 EDAB CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)[C@H]1CCCN1 182513212 MFRBRZRTKUCDMR-RTBURBONSA-N 345.487 1.642 0 40 EDAB O=C1CO[C@H](c2ccc(NC(=O)Nc3ccccc3)cc2)[C@@H](CO)N1 72321067 AGGNEWDLJBZORR-NVXWUHKLSA-N 341.367 1.879 0 40 EDAB biogenic,in-vitro CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1N1CCNCC1 72216326 WNFYVDVSTFPUIF-UHFFFAOYSA-N 348.447 1.979 0 40 EDAB C[C@@H]1Cc2c(NC(=O)Cn3cnc4ccccc43)nn(C)c2NC1=O 35597755 ICRVZKWGYPMWFB-SNVBAGLBSA-N 338.371 1.539 0 40 EDAB COc1cc(C[C@@]2(c3ccco3)NC(N)=NC2=O)cc(OC)c1OC 71976392 OVUQESUMTQWXEZ-KRWDZBQOSA-N 345.355 1.188 0 40 EDAB CC(=O)c1cn(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc12 79486482 SURKDLAFGWKTFR-CYBMUJFWSA-N 348.424 1.537 0 40 EDAB Cc1noc(-c2ccc(=O)n(CC(=O)c3ccc4c(c3)OCO4)c2)n1 75165628 WQAUAALWJSWQRJ-UHFFFAOYSA-N 339.307 1.818 0 40 EDAB C[C@@H](CN(C)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)c1nnn[nH]1 124153236 VPGIYSIRWSFNQQ-WRWORJQWSA-N 344.202 1.802 0 40 EDAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 218109268 YFJSAXROTFWLGP-RCCFBDPRSA-N 346.452 1.600 0 40 EDAB Cc1cc(C(=O)N[C@@H](C)Cc2cn(C)nc2C)c2cnn(C)c2n1 36614377 GXNQXDKQDSAIJN-JTQLQIEISA-N 326.404 1.680 0 40 EDAB COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1F 78611842 SSBXLRLTVVZJBJ-ZDUSSCGKSA-N 349.406 1.906 0 40 EDAB O=C(O)c1ccc(Cl)cc1S(=O)(=O)N1CCOC[C@H]1C1CC1 565949268 NPVFUPDSZKWBJY-LBPRGKRZSA-N 345.804 1.838 0 40 EDAB Cc1cccn2c(CC(=O)N3CCC[C@]4(CNC(=O)O4)C3)cnc12 72137192 UNMUCPJUHCAFRX-KRWDZBQOSA-N 328.372 1.286 0 40 EDAB CN1C(=O)CO[C@H](C(=O)NCc2ccco2)[C@@H]1c1cccc(F)c1 72241707 SYJBQUWVGNUYGP-HOTGVXAUSA-N 332.331 1.633 0 40 EDAB CCN1CCO[C@H](C(=O)NCc2ccc(Cn3cccn3)cc2)C1 72866629 XQUDRBXAFHMHMS-KRWDZBQOSA-N 328.416 1.268 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1 41247852 VPWGEVBFXJZLSQ-ZDUSSCGKSA-N 340.445 1.765 0 40 EDAB CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1Br 77832484 VAOJJMMTDOSEOG-ZDUSSCGKSA-N 347.184 1.804 0 40 EDAB CCOC(=O)CN1CCCN(C(=O)c2c(F)ccc(F)c2F)CC1 184733959 YWUHQXFCQJXBKX-UHFFFAOYSA-N 344.333 1.815 0 40 EDAB O=C(NC[C@@H]1CC[C@H](O)C1)NC1CCN(CCc2ccncc2)CC1 225584244 DBQGZTFGHRBGKQ-AEFFLSMTSA-N 346.475 1.549 0 40 EDAB O=C(O)c1cn([C@@H]2CCCN(C(=O)c3cnn4ccccc34)C2)nn1 575062252 BYPALEKKJXJYQP-LLVKDONJSA-N 340.343 1.101 0 40 EDAB Cn1nccc1[C@@H]1OCC[C@H]1CN1CC(=O)Nc2ccccc2C1 569139503 IRMNJIIQGACQBM-KBXCAEBGSA-N 326.400 1.952 0 40 EDAB COc1ccc([C@H](NC(=O)CN2CCCC[C@@H]2C(N)=O)C(C)C)cc1 44891969 NOGJVXWBQJAPKQ-SJLPKXTDSA-N 347.459 1.848 0 40 EDAB COc1ccccc1NC(=O)Nc1ccc(-n2nnn(C)c2=O)cc1 75163166 LHDQUULKJXMBNZ-UHFFFAOYSA-N 340.343 1.619 0 40 EDAB Cc1cccc(OCC(=O)N[C@H]2CCc3nn(C)c(=O)cc3C2)c1 225788065 BDNQGCJUPAFFIJ-AWEZNQCLSA-N 327.384 1.141 0 40 EDAB C[Si](C)(c1ccc(CC(=O)O)cc1)c1ccc(CC(=O)O)cc1 195766543 BOBHWYWUOFKNSF-UHFFFAOYSA-N 328.440 1.763 0 40 EDAB CCn1nc(C)cc1CNC(=O)c1cc(C)nc(N2CCCC2)n1 226745511 IJPGRXUGZRAXPR-UHFFFAOYSA-N 328.420 1.840 0 40 EDAB O=C(/C=C/c1ccc(Cl)cc1)N1CC[C@@H](N2C(=O)COC2=O)C1 225701538 NEXNDLDSJPUYQM-VUUYWXRKSA-N 334.759 1.933 0 40 EDAB CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)C2C(=O)N(C)Cc1ccccn1 96252348 RTEQYPJSKPGLJS-MZBDJJRSSA-N 330.432 1.680 0 40 EDAB Cn1cc(C(=O)N2CC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)cn1 96208942 CIPZXOHTZSPNGX-AEFFLSMTSA-N 342.399 1.406 0 40 EDAB O=C(c1cscn1)N1CC[C@@H]2CN(CC3CCOCC3)C[C@@H]2C1 96054150 MJWIEOJOQQOGBV-HUUCEWRRSA-N 335.473 1.964 0 40 EDAB Cc1ccnc(C(=O)N2C[C@@H]3C[C@@H](Cc4nnc(C)o4)O[C@@H]3C2)c1 96214938 CZKRZVIIDHYULU-KCQAQPDRSA-N 328.372 1.554 0 40 EDAB O=C1[C@@H]2CN(CCCn3ccnc3)CCN2C(=O)N1c1ccccc1 97370618 UMRNBJANWAIFEQ-INIZCTEOSA-N 339.399 1.426 0 40 EDAB C[C@@H](Cn1cc(Br)cn1)NCCNC(=O)C(C)(C)C 97228415 ISWTYZCZCKDVSV-JTQLQIEISA-N 331.258 1.786 0 40 EDAB COc1ccc(N2CCC[C@H](C(=O)NCc3cccnc3)C2)nn1 96230737 HXOWOIIPQAZWIW-AWEZNQCLSA-N 327.388 1.413 0 40 EDAB O=S(=O)(C1CC1)N1CCC2(CC1)CN(c1ccccn1)CCO2 96159010 FDDIYNZBAPYBDX-UHFFFAOYSA-N 337.445 1.245 0 40 EDAB COCC(=O)N1CCC2(CC1)CO[C@H](COCc1cccc(C)n1)C2 96106162 USIDKAVYYJPLFY-KRWDZBQOSA-N 348.443 1.951 0 40 EDAB Cc1noc([C@H]2C[C@H]3CN(C(=O)Cc4ccccn4)CC[C@H]3O2)n1 96043642 UUMBQBKATLMNJR-NWANDNLSSA-N 328.372 1.694 0 40 EDAB O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1cccc2nn[nH]c12 97103902 YQMQCQIBKHIBIW-MRXNPFEDSA-N 349.394 1.578 0 40 EDAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)C1CC1)C2 96238002 VFWZZZAMFORLQI-SFHVURJKSA-N 331.391 1.485 0 40 EDAB COc1cccc(CN2CC[C@]3(CCN(C(=O)N(C)C)C3)C2=O)c1 96159834 MAFHMDYASKYAJS-GOSISDBHSA-N 331.416 1.801 0 40 EDAB C[C@H](c1cccnc1)N1CCN(Cc2cc(=O)n3nccc3[nH]2)CC1 96424347 BKSFAKMIXOMZMY-CQSZACIVSA-N 338.415 1.296 0 40 EDAB Cc1cccc(CCC(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c1 581929018 VEDSKTWJPOJRMS-HOTGVXAUSA-N 337.441 1.342 0 40 EDAB c1ncn(Cc2cn3c(n2)CN(Cc2ccc4c(c2)OCO4)CC3)n1 96197364 DIDYLWTXOXXMEY-UHFFFAOYSA-N 338.371 1.267 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 96108875 XURVMUHXORORJY-VQIMIIECSA-N 341.411 1.726 0 40 EDAB COC[C@H]1CN(C(=O)c2cc(C)on2)Cc2nnn(CC3CC3)c21 96045583 MKBHCMGJBWBAFG-GFCCVEGCSA-N 331.376 1.371 0 40 EDAB CN(C(=O)c1ncccc1-n1ncc2ccccc21)[C@@H]1COC[C@H]1O 585082349 GZSSUQFMAQYFMT-HZPDHXFCSA-N 338.367 1.252 0 40 EDAB O=S(=O)(Nc1cc(CO)ccc1Br)N1CCCC1 585119277 ZZHRKJULCFYGDW-UHFFFAOYSA-N 335.223 1.694 0 40 EDAB CCO[C@@H]1C[C@@H](Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)[C@H]1OC 585117702 SZLCUTYCLNVBDR-XMTFNYHQSA-N 347.459 1.741 0 40 EDAB CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 585112923 JBRKOHKHNYNVBZ-QWHCGFSZSA-N 339.436 1.417 0 40 EDAB CCOC(=O)CCN(C)C(=O)c1coc(Sc2ncccn2)n1 585135697 XGMAERSZRXUOAY-UHFFFAOYSA-N 336.373 1.641 0 40 EDAB C[C@@H](O)CN(C)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 585114169 ZNJISLXYUFRZSX-OLZOCXBDSA-N 342.436 1.242 0 40 EDAB Cn1cccc(C(=O)NC[C@H](c2ccco2)N2CCSCC2)c1=O 245053637 PDZGYLGKBTUIGC-CQSZACIVSA-N 347.440 1.498 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3cccnc3)C[C@@H]21)c1ccncc1 247377830 IQOSFDCRJNXTOJ-KZNAEPCWSA-N 338.411 1.353 0 40 EDAB CCN1CCC(N2CCC[C@@H]2c2cncc(CNC(C)=O)n2)CC1 257222800 DUSOQJOJDIFIEA-GOSISDBHSA-N 331.464 1.734 0 40 EDAB CCS(=O)(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@H]21 253491007 KVVHJNISGSUSTK-OUCADQQQSA-N 346.474 1.489 0 40 EDAB O=C(CCCn1cc(COc2ccccc2)nn1)NC[C@H]1CCCO1 252492160 MEJWNLBOXODKAX-QGZVFWFLSA-N 344.415 1.933 0 40 EDAB Cc1ncsc1C(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257265044 LXAWOAYAWKTORY-SECBINFHSA-N 340.430 1.208 0 40 EDAB CN(C)C(=O)C[C@H]1CC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)N1C 257274954 NNKCSIWYMFOLKX-CABCVRRESA-N 342.443 1.839 0 40 EDAB Cc1cc(N2CCN(C(=O)[C@](C)(O)CCc3ccccc3)CC2)n[nH]1 252496664 POELLROOLINENF-LJQANCHMSA-N 342.443 1.751 0 40 EDAB COc1ccc([C@@H]2CN(C(=O)c3cc(O)nc(O)n3)CCN2C)cc1 257333666 YCNWEYLAPDADJP-AWEZNQCLSA-N 344.371 1.025 0 40 EDAB COC(=O)C1=C(Cn2ccnc2)N(C)C(=O)N[C@H]1c1ccccc1 26911041 KZYBCVWOGSFVEU-HNNXBMFYSA-N 326.356 1.707 0 40 EDAB Cc1[nH]c2ccc(C(=O)N3CC[C@H]4OCC(=O)N[C@H]4C3)cc2c1C 257203349 APPLHDWYDZUAJB-JKSUJKDBSA-N 327.384 1.514 0 40 EDAB CC(C)(C(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1)n1cncn1 257228207 FSULTVUCBWYZCM-QGZVFWFLSA-N 344.419 1.535 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(C(=O)CCc3cn(C)nc3C)CCO2)n1 257329844 XLTIWRVIRHLJDF-HNNXBMFYSA-N 345.403 1.065 0 40 EDAB CCc1noc([C@@H](C)N2CCN(c3nccn4nc(C)cc34)CC2)n1 274851659 YHSDQBHFQZAZQC-CYBMUJFWSA-N 341.419 1.866 0 40 EDAB NS(=O)(=O)c1ccc(OCCSC(=S)N2CCCC2)cc1 27257532 VZLFNNSJZWULPF-UHFFFAOYSA-N 346.499 1.827 0 40 EDAB COC(=O)CCN1CC[C@@H](N2CCC[C@@H](c3ccncc3)C2)C1=O 595489134 NTZHXDYQRSJDIE-HZPDHXFCSA-N 331.416 1.425 0 40 EDAB NC(=O)c1ccccc1CC(=O)N[C@H]1CCc2nc(N)sc2C1 1615052671 YZGWXHZVWXENPN-JTQLQIEISA-N 330.413 1.040 0 40 EDAB CS(=O)(=O)NCCC(=O)Nc1cc(C(F)(F)F)c(F)cc1O 1615598523 ARULTUQNFBZUGO-UHFFFAOYSA-N 344.286 1.428 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)c1ccc2c(c1)[C@@H](C)CO2 1615583887 RAEZGYCRZDAPGE-VIFPVBQESA-N 349.412 1.652 0 40 EDAB O=C(O)[C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)C[C@H]1C(F)F 1616031621 DWQXWSFEZXNWMX-KBVBSXBZSA-N 327.283 1.251 0 40 EDAB CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)[C@@H](F)CC1CCCCC1 1616039377 VAKQNEOXOYAIPL-ZDUSSCGKSA-N 349.410 1.695 0 40 EDAB O=C(COc1ccc2c(c1)OCO2)Nc1cc(-n2cccn2)ncn1 96119962 WRTTWXTZHXEGJF-UHFFFAOYSA-N 339.311 1.409 0 40 EDAB COc1cc(NC(=O)NCCn2cncc(C)c2=O)cc(OC)c1 96119193 OPPQWSINHBVDIA-UHFFFAOYSA-N 332.360 1.391 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C[C@H](OCC3CCOCC3)CS2)C1 575403778 OCECMXUFUFFMND-CABCVRRESA-N 341.473 1.553 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)COc1ccc(F)cc1 585287703 BOAREDADWYJCDV-FMKPAKJESA-N 327.352 1.092 0 40 EDAB CN1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1CO 585136754 RHKWASGKLWCCPD-OLZOCXBDSA-N 349.258 1.341 0 40 EDAB CC(C)n1c([C@@H](C)NC(=O)C2CS(=O)(=O)C2)nc2ccccc21 585140956 MEJWBMOVNLGGKI-LLVKDONJSA-N 335.429 1.839 0 40 EDAB CCN(CC)S(=O)(=O)CCNS(=O)(=O)c1ccc(C)cc1C 69738870 MICPQGNGOWHUSE-UHFFFAOYSA-N 348.490 1.253 0 40 EDAB NC(=O)C1(CNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCOCC1 52744597 DGGRCKGKBVTPJT-UHFFFAOYSA-N 346.362 1.228 0 40 EDAB CCCC(=O)N1CCC[C@H]1C(=O)NCCN1CCc2ccccc2C1 55181365 OQKRPDSPZZCZCJ-SFHVURJKSA-N 343.471 1.952 0 40 EDAB Cc1[nH]c(=S)sc1CC(=O)N1CCN(c2cnccn2)CC1 40487856 ZPIMHTWCHFXZAH-UHFFFAOYSA-N 335.458 1.795 0 40 EDAB O=C(Cc1cccs1)NC[C@@]1(N2CCOCC2)CCSC1 57209731 GAMATVQDFDTYEG-HNNXBMFYSA-N 326.487 1.615 0 40 EDAB CSc1nnc(Cn2nnn(-c3ccccc3Cl)c2=O)s1 58209765 BNOIWHCAACEOSD-UHFFFAOYSA-N 340.821 1.704 0 40 EDAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCCC3)N1CC[C@H](O)C1 85380106 PJUIJYSORAWBHE-AWEZNQCLSA-N 341.411 1.720 0 40 EDAB CC(=O)Nc1cccc(OCCNC(=O)N2CCOC(C)(C)C2)c1 89265599 WZJBGEYGKGLMTF-UHFFFAOYSA-N 335.404 1.844 0 40 EDAB CCN(CC)C(=O)[C@H](SCc1nc(N)nc(N)n1)c1ccccc1 89967584 OBNPROUPWZJPRB-CYBMUJFWSA-N 346.460 1.879 0 40 EDAB CCCCN(C)c1ccc(C(=O)N(CCO)CCOCCO)cc1 585123826 BTPAQJIMQPXICU-UHFFFAOYSA-N 338.448 1.366 0 40 EDAB C[C@]1(CO)CCCN1Cc1nc(O)c2cnn(-c3ccccc3)c2n1 556814275 LBKOAFLWEWRNHP-GOSISDBHSA-N 339.399 1.868 0 40 EDAB CC(C)(C)c1cn(C[C@H]2OC[C@H](O)[C@H]2NCc2ccsc2)nn1 1549160131 ATHFJOYSXRDTOP-GZBFAFLISA-N 336.461 1.555 0 40 EDAB O=C(O)CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 2275805 PBFJLSHCLMTPQX-SDNWHVSQSA-N 328.324 1.641 0 40 EDAB COc1cc2nc(NN)n(-c3cccc(C)n3)c(=O)c2cc1OC 15424594 FVWQHQYCVIWXJY-UHFFFAOYSA-N 327.344 1.392 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC(C)(C)C 16291287 RRBCTDFPJHKKIM-UHFFFAOYSA-N 328.434 1.539 0 40 EDAB COc1cccc(CNc2nc([C@H]3CC(=O)N(C)C3)cc(=O)[nH]2)c1 19587514 KMLUVPOEHAVLAP-LBPRGKRZSA-N 328.372 1.336 0 40 EDAB O=C(Cn1nc(-c2ccco2)ccc1=O)NC[C@H]1C[C@H]2C=C[C@@H]1C2 169680726 YOBAGYOIGXEWRY-BFHYXJOUSA-N 325.368 1.832 0 40 EDAB CC(C)CC(=O)NCCn1ncc2c(N3CCCCC3)ncnc21 11665897 UHORYFSGYKLATO-UHFFFAOYSA-N 330.436 1.979 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2cnccn2)CC1 560576391 WGZHSSLWDNRIBF-UHFFFAOYSA-N 332.429 1.124 0 40 EDAB CC(C)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19078734 LLOAYTWVMPQYSF-UHFFFAOYSA-N 326.447 1.406 0 40 EDAB Cn1c(N2C[C@H]3CN(C(=O)c4cnccn4)C[C@@H]3C2)nc2ccccc21 1888888357 BISCTDXVCGLTFC-ZIAGYGMSSA-N 348.410 1.572 0 40 EDAB CCOc1ccc(-n2ccn3c(=O)n(CC4CC4)nc3c2=O)cc1 1888906347 NGGBQZHWBGEOHP-UHFFFAOYSA-N 326.356 1.456 0 40 EDAB CCCNC(=O)Cn1ccn2nc(-c3cccc(OC)c3)cc2c1=O 1888975886 XZIGNNXQUWEGHU-UHFFFAOYSA-N 340.383 1.698 0 40 EDAB O=S(=O)(NC1CCN(c2ncc(Cl)cc2F)CC1)C1CC1 1889098710 VQNJPWNQMCSZFQ-UHFFFAOYSA-N 333.816 1.925 0 40 EDAB OC1(CN2CCN(c3cc(N4CCCC4)ncn3)CC2)CCCC1 2087122374 GEEKZKXBDMQKDU-UHFFFAOYSA-N 331.464 1.504 0 40 EDAB Cc1ccc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)o1 1565554307 XATIOSCYXCHPPE-UHFFFAOYSA-N 333.413 1.987 0 40 EDAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N(C)C)c2ccccc21 3007525 AXXKDHKAHRKPNH-UHFFFAOYSA-N 329.400 1.781 0 40 EDAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CC2)OCCN3CCN(C)C)cn1 2055746170 UIBUUSNFKPMBCL-ZWKOTPCHSA-N 346.475 1.257 0 40 EDAB CNC(=O)c1cc2c(n1C)CCC[C@@H]2NC(=O)c1ncnc(C)c1C 2055782268 YCNZLKYYUGMOCU-ZDUSSCGKSA-N 341.415 1.599 0 40 EDAB C/C=C\C(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134497 XEZCGPJDQXKKIH-RQOWECAXSA-N 330.367 1.022 0 40 EDAB CC(C)(C)NC(=O)N1CCC(CNC(=O)NC2CCOCC2)CC1 225553906 NTPJLOUSCDCSQB-UHFFFAOYSA-N 340.468 1.685 0 40 EDAB O=C(NCCn1cnc(C2CC2)cc1=O)c1cc(-c2ccco2)on1 575413769 AGTYNCIVVSLKGH-UHFFFAOYSA-N 340.339 1.799 0 40 EDAB N#CN(CC(=O)N1CCNC1=O)c1ccc(F)c(Br)c1 75092230 ZMWMPVSFSPPGJK-UHFFFAOYSA-N 341.140 1.427 0 40 EDAB C[C@H](CO)[C@H](C)N1CC2=C(C1=O)[C@@H](c1ccccc1)NC(=O)N2C 13775467 NROOBIQMBJYJAU-BFQNTYOBSA-N 329.400 1.496 0 40 EDAB O=C(CSc1nncn1C1CC1)NC[C@H]1COc2ccccc2O1 31243780 QSVVHILFCDCSAH-LBPRGKRZSA-N 346.412 1.661 0 40 EDAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1COc2ccccc2O1 40553726 OHBSPUQHIIHNQN-CJNGLKHVSA-N 340.383 1.402 0 40 EDAB CC[C@](C)(CNS(=O)(=O)N1CCC[C@H](C)C1)N1CCOCC1 40520566 XNDGWIMUORBUJA-LSDHHAIUSA-N 333.498 1.054 0 40 EDAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1 203756 IKRBZGXTEJTISR-ZDUSSCGKSA-N 340.420 1.849 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)c1 102342070 OCEATPRHDSTSSA-BETUJISGSA-N 344.367 1.594 0 40 EDAB COc1ccc(/C=C/C(=O)NCCCN2CCCC2=O)c(OC)c1 32981756 PQLSATSREWJLAH-VQHVLOKHSA-N 332.400 1.846 0 40 EDAB O=C(NCc1cccnc1-n1cncn1)c1ccccc1-n1cccn1 53187851 YINXFNKZDLZISY-UHFFFAOYSA-N 345.366 1.778 0 40 EDAB CCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 502880 DCVZESZYIHNJKM-UHFFFAOYSA-N 343.430 1.125 0 40 EDAB CC(C)C[C@@H](CNC(=O)CN1CCSC1=O)N1CCOCC1 41935012 CADQONOWXJLCJU-ZDUSSCGKSA-N 329.466 1.018 0 40 EDAB COc1ccc2c(c1)CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O 53723537 CTZMXMPLXMNLHE-UHFFFAOYSA-N 331.372 1.305 0 40 EDAB O=S(=O)(/C=C/c1ccccc1)N1CC[C@@H](CN2CCOCC2)C1 104157350 ASFLLUVBPFSADN-BNXPMYBGSA-N 336.457 1.641 0 40 EDAB Cc1ccc(CNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)n1C 23575334 CTPRTCJIQRPHFG-UHFFFAOYSA-N 339.395 1.913 0 40 EDAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCc1cccc(F)c1 23640454 WURXFOXCPXMOAI-UHFFFAOYSA-N 347.390 1.739 0 40 EDAB Cc1cc(CN2CCN(C(=O)N[C@H](C)c3ccccn3)CC2)no1 43181265 RFCMQGXUODTVLE-CQSZACIVSA-N 329.404 1.966 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1ccco1 9960939 NYKJDUGWIQJNRW-UHFFFAOYSA-N 337.401 1.529 0 40 EDAB C[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)[C@H]1C[C@H]2CC[C@H]1C2 106507746 BJVHAAGXTKIQKJ-QFOLPQNPSA-N 328.459 1.950 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(OC(F)F)cc1 106517073 HKXDLJOVXMOGLE-JSGCOSHPSA-N 326.343 1.881 0 40 EDAB O=C(c1c[nH]nc1-c1ccccc1)N1CCN(c2cnccn2)CC1 25343374 NYEAZCZXWROVMF-UHFFFAOYSA-N 334.383 1.829 0 40 EDAB C[C@@H](C(=O)Nc1ccc(CCN2CCOCC2)cc1)n1cncn1 56040012 MVIXYOXDTYMRJQ-AWEZNQCLSA-N 329.404 1.353 0 40 EDAB O=C(NCc1ccco1)[C@H]1[C@@H]2C(=O)N(C3CCCC3)C[C@]23C=C[C@H]1O3 6759691 DXIBGXRLIIIXPI-YKTARERQSA-N 342.395 1.620 0 40 EDAB CC(C)Cn1nc(C(=O)OCC(=O)N(C)C)c2ccccc2c1=O 7244809 NLORUAGIHISBMK-UHFFFAOYSA-N 331.372 1.298 0 40 EDAB O=C(NC[C@H]1CCOC1)Nc1cccc(N2CCCS2(=O)=O)c1 57525175 ZZPGTAOTUKPAIU-GFCCVEGCSA-N 339.417 1.385 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2ccc(C)cc2)C1 57320404 URKFZZZARIYYJD-DOTOQJQBSA-N 332.444 1.927 0 40 EDAB NC(=O)c1ccc(N2CCc3c(ncn3CCc3ccccc3)C2)nn1 96009773 HDZLPXMJCRUBBL-UHFFFAOYSA-N 348.410 1.577 0 40 EDAB COCC(=O)N1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 55308489 LDZZIXNYYUMKOQ-INIZCTEOSA-N 347.459 1.455 0 40 EDAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)N2CCNC2=O)c(C)c1 8719060 SBPYHQAFYBISSQ-UHFFFAOYSA-N 332.404 1.034 0 40 EDAB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)OC 2090225 GKDGIHFJBCCOJT-OAHLLOKOSA-N 346.383 1.712 0 40 EDAB biogenic CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1 58264862 QDFWEYBQHDTKGI-LBPRGKRZSA-N 346.449 1.804 0 40 EDAB C[C@@H]1CN(CCNC(=O)NC[C@@H](c2ccco2)N(C)C)C[C@@H](C)O1 44949323 DKKQNGKTJBBERR-KFWWJZLASA-N 338.452 1.291 0 40 EDAB C[C@H](CNC(=O)N[C@H]1CCCCNC1=O)N1CCc2ccccc21 44968082 FPDZBHUPIMZEBO-HIFRSBDPSA-N 330.432 1.406 0 40 EDAB O=C(O)CCCCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O 44901189 VMRPOJPQLRCTPC-UHFFFAOYSA-N 343.383 1.672 0 40 EDAB C[C@@H](NC(N)=O)C(=O)NCc1cccnc1Oc1cccc(F)c1 44938949 CRBPVZNHXWPEJZ-SNVBAGLBSA-N 332.335 1.686 0 40 EDAB COc1ccc(COCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 44954743 URHNPRZYOPKXKQ-QGZVFWFLSA-N 328.368 1.555 0 40 EDAB CC(C)Oc1cccc([C@@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)c1 44939171 CZISFTLJPPVVKU-GFCCVEGCSA-N 331.372 1.201 0 40 EDAB COC(=O)[C@@H](O)C1CCN(c2ccc(Br)cn2)CC1 95431268 LAVUZONYXGMUEL-LBPRGKRZSA-N 329.194 1.594 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 45409750 GJJBGZWKLURCSZ-HNNXBMFYSA-N 348.491 1.561 0 40 EDAB Cc1nnnn1-c1ccccc1C(=O)N[C@H](C)c1nnc2ccccn12 95472268 KHGNLFZRKWWERK-LLVKDONJSA-N 348.370 1.504 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)NCCc3cccc(Cl)c3)cnc21 11515314 MYHOYPJMWPQENZ-UHFFFAOYSA-N 345.790 1.142 0 40 EDAB COc1cc(NC(=O)c2ccc[nH]c2=O)ccc1NS(C)(=O)=O 29969991 WMNKBWHHWYQWMG-UHFFFAOYSA-N 337.357 1.007 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCCOc2cccc(C(F)(F)F)c2)C1 46941186 JVXQXYTUQZQBRZ-JTQLQIEISA-N 345.321 1.601 0 40 EDAB O=C1CC[C@H](C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)CN1 61444828 CEYKDNVLAOLWGO-NSHDSACASA-N 338.791 1.644 0 40 EDAB O=C(NCCNc1ncccn1)NC[C@@H](O)c1cccc(Cl)c1 48278811 UWEYQZRIBXHQNU-CYBMUJFWSA-N 335.795 1.575 0 40 EDAB COC(=O)c1ccc(Cn2nnn(-c3ccccc3Cl)c2=O)o1 48325973 CYSPBSHNORYSLG-UHFFFAOYSA-N 334.719 1.510 0 40 EDAB CCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 408555551 XOHZUYRKNFGNGO-OLZOCXBDSA-N 342.461 1.975 0 40 EDAB O=C(Nc1cccnc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 63987600 XWMNBBZWXDTJLG-UHFFFAOYSA-N 345.424 1.564 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CNC(N)=O)cc2)C1 20902552 ISDNILXKVRBPKF-CQSZACIVSA-N 333.388 1.270 0 40 EDAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)NCC(C)C 6004050 UCLQKPQLHZPOHA-UHFFFAOYSA-N 327.402 1.328 0 40 EDAB CC(=O)N(C)[C@@]1(c2nnnn2-c2ccccc2)CCOC(C)(C)C1 5149238 UVNNXJBOJYGYCW-KRWDZBQOSA-N 329.404 1.925 0 40 EDAB CCN1CCc2ncnc(N3CCC(c4nc(C)no4)CC3)c2C1 65487698 OXEKOTSCFKAWEG-UHFFFAOYSA-N 328.420 1.930 0 40 EDAB NC(=O)NC(=O)CN1CCO[C@@H](c2nc(-c3ccccc3)cs2)C1 65475872 GNQVSUXWWYRCIG-CYBMUJFWSA-N 346.412 1.378 0 40 EDAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 65591153 FRCULRRVUCPGON-KGLIPLIRSA-N 341.411 1.638 0 40 EDAB COc1cc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)ccn1 65587345 GIQITIQYEJZYQG-QWHCGFSZSA-N 334.420 1.679 0 40 EDAB C[C@@H](CNC(=O)Cn1c(C2CC2)nc2ccccc21)N1CCOCC1 65611505 GRPNBLIYZNZYAT-AWEZNQCLSA-N 342.443 1.751 0 40 EDAB Cc1cc(NC(=O)COC(=O)CCC(=O)NC2CCCCC2)no1 4512353 KSHRUWDVCDSFOK-UHFFFAOYSA-N 337.376 1.694 0 40 EDAB O=C([C@@H]1CCCN(c2ncnc3ccsc23)C1)N1CCOCC1 14331275 HGCIINJJWZBTKH-GFCCVEGCSA-N 332.429 1.767 0 40 EDAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCCCn1ccnc1 6658638 ADHAYQLVSGDRJT-CYBMUJFWSA-N 341.367 1.963 0 40 EDAB biogenic COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCc1ccccc1 6626415 IPZAVJHDDLPXFZ-UHFFFAOYSA-N 348.424 1.705 0 40 EDAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(C(N)=O)cc1 5694128 PGRZAMZBQKQZFE-JTQLQIEISA-N 328.324 1.675 0 40 EDAB CCOCCC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 66421148 AFGSVEWOXMPLIY-CVEARBPZSA-N 339.480 1.252 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc2ccsc2c(=O)[nH]1 15027642 ZOKYZUTVGIQHRH-ZDUSSCGKSA-N 340.408 1.397 0 40 EDAB CCN(C1CC1)S(=O)(=O)c1c(C)nn(Cc2noc(C)n2)c1C 67098872 LEWHGGQWWRWELC-UHFFFAOYSA-N 339.421 1.413 0 40 EDAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCc1ccco1 9419644 BYFUKLWUNPTKSO-HNNXBMFYSA-N 341.367 1.797 0 40 EDAB NC(=O)COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 7015119 OORITVXTHCRJFN-UHFFFAOYSA-N 346.408 1.894 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@H]2Cc2ccccc2)C1 71794326 DTIIQDAZOBVYBK-IRXDYDNUSA-N 329.444 1.417 0 40 EDAB C[C@H](OC(=O)COc1ccccc1)C(=O)Nc1sccc1C(N)=O 15688060 NAUKXWWULBLPRC-JTQLQIEISA-N 348.380 1.796 0 40 EDAB c1cncc(-c2noc(CNC[C@@H]3CCCN3c3cccnn3)n2)c1 71877474 OBUGDQKUUPADAY-AWEZNQCLSA-N 337.387 1.680 0 40 EDAB CSc1ccsc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 71884252 PSTMDNWRJVUHFS-UHFFFAOYSA-N 348.515 1.871 0 40 EDAB C[C@@H](C(=O)Nc1ncccn1)N1CCc2[nH]nc(C(F)(F)F)c2C1 71897161 GYLLDVQYSZAUHX-QMMMGPOBSA-N 340.309 1.604 0 40 EDAB C[C@@H](C(=O)N1CCC[C@H](O)C1)N1CCN(c2ccc(F)cc2)CC1 71897833 IDRXRLNFZQYVSJ-YOEHRIQHSA-N 335.423 1.320 0 40 EDAB O=C(NCCN1CCCC1)c1ccc(CNC(=O)c2cc[nH]n2)cc1 71896499 LWNCTDNOHPLPBO-UHFFFAOYSA-N 341.415 1.165 0 40 EDAB O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CCCN1C(=O)OCC(F)(F)F 69397085 NCJNDDRVWLVETJ-ZYHUDNBSSA-N 349.353 1.503 0 40 EDAB COc1ccc(CNC(=O)[C@H](C(C)C)N2CCCC2=O)c(OC)c1 69381991 DEGVKLVGZAVLPI-KRWDZBQOSA-N 334.416 1.967 0 40 EDAB COc1cccc(CC(=O)N2CSC[C@@H]2C(=O)NCC(C)C)c1 69417806 INRHJGLUCLJXBS-OAHLLOKOSA-N 336.457 1.911 0 40 EDAB C[C@H](NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)c1ccccn1 69487390 WWXJNRWGCILFEF-STQMWFEESA-N 340.449 1.256 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)N(C)c3nccs3)CCO2)c1 69436850 WQKVOITXCFHFPA-ZDUSSCGKSA-N 335.433 1.012 0 40 EDAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCCC[C@H]1CC(N)=O 71903869 QCWOKMCGEGJCEK-OCCSQVGLSA-N 332.404 1.453 0 40 EDAB Cc1nnc2n1CCN(C(=O)c1ccc(-n3c(C)c[nH]c3=O)cc1)C2 69516536 PIABQYOQYXFYRC-UHFFFAOYSA-N 338.371 1.030 0 40 EDAB CN1C[C@H](C(=O)Nc2ccccc2Sc2nccn2C)CC1=O 69571627 ZVXOQKIUQVHZSU-LLVKDONJSA-N 330.413 1.988 0 40 EDAB CO[C@](C)(C(=O)Nc1ccc(CS(N)(=O)=O)cc1)c1ccccc1 69571388 BKAAHAOJTUFOSG-KRWDZBQOSA-N 348.424 1.975 0 40 EDAB COCCN1CCN([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C[C@H]1C 69742596 ANWVXPLSKPSRSF-IUODEOHRSA-N 337.468 1.016 0 40 EDAB CC(C)(C)[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)CC1 69771493 HHIFSHCZPPMMOG-BRWVUGGUSA-N 331.460 1.736 0 40 EDAB Cc1cc(S(=O)(=O)NCCCCN2CCN(C)CC2)ccc1F 69707732 OCBCQOHTULWYMG-UHFFFAOYSA-N 343.468 1.440 0 40 EDAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1cccnc1 18181332 ABDLXCOHWQLTQT-UHFFFAOYSA-N 339.399 1.544 0 40 EDAB CN(C(=O)COc1cccnc1[C@@H](O)NCCCO)c1ccccc1 69973322 AWZPSYDHYXMPNO-GOSISDBHSA-N 345.399 1.086 0 40 EDAB Fc1cccc(-n2ccc(CN3CCO[C@H](Cn4cncn4)C3)n2)c1 69975910 AJUNRRXHBHUGGU-KRWDZBQOSA-N 342.378 1.504 0 40 EDAB C[C@H](NC(N)=O)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 69924643 MXDGROOVRCZKCO-LBPRGKRZSA-N 330.388 1.789 0 40 EDAB C[C@H]1CCc2ccccc2N1C(=O)CN1C(=O)[C@@H]2CCCN2C1=O 8877691 DTAFZUZOQPXUGE-WFASDCNBSA-N 327.384 1.781 0 40 EDAB O=C1NC[C@]2(CCCN(C(=O)CCc3n[nH]c4c3CCCC4)C2)O1 72149075 CQUHSVSXZZTVBA-KRWDZBQOSA-N 332.404 1.322 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)on1 72296458 VVKZZZIWWGPHLH-GFCCVEGCSA-N 338.408 1.863 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)n1 72235419 IAKIRAGCOBSFPE-HNNXBMFYSA-N 329.404 1.310 0 40 EDAB COC[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1 72287911 LXGNZLGQDSPVED-RYUDHWBXSA-N 330.306 1.788 0 40 EDAB O=C1CCC(=O)N1CCN1CCN(Cc2csc(C3CC3)n2)CC1 95976159 ILXGBSPFBJFMAP-UHFFFAOYSA-N 348.472 1.287 0 40 EDAB Cc1cnc(CN(C)[C@@H]2CCN(Cc3ccc(C(N)=O)cc3)C2)o1 84258946 HWSRXTRYNPMLJY-MRXNPFEDSA-N 328.416 1.788 0 40 EDAB Cc1nsc(NC[C@H](C(=O)N2CCOCC2)c2ccccc2)n1 84286901 GDMCDEATOGPELK-AWEZNQCLSA-N 332.429 1.901 0 40 EDAB Cn1ncc2c(N3CCC[C@H](C(=O)Nc4cnccn4)C3)ncnc21 97159079 QDUQQOLRHLJGSO-NSHDSACASA-N 338.375 1.008 0 40 EDAB COC(=O)[C@H](C)NC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 72324471 SESOFCXXBOFBSF-NSHDSACASA-N 331.372 1.198 0 40 EDAB biogenic Cc1cn(CC(=O)N[C@@H](CC(N)=O)C2CCOCC2)c2ccccc12 72310496 ZGSSHQKIKKRYIN-INIZCTEOSA-N 343.427 1.737 0 40 EDAB CCc1cc(N2CCc3nnc(C)n3CC2)n2nc(C)c(C)c2n1 72421640 HTKQTPLNOYXWHF-UHFFFAOYSA-N 325.420 1.871 0 40 EDAB NS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3ccco3)no1)CC2 72661377 BHZFXOIJAQTTJQ-UHFFFAOYSA-N 346.368 1.540 0 40 EDAB CC[C@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@H]1N1CCOCC1 84735957 NHJZJXYWBKUKBG-GXTWGEPZSA-N 338.839 1.621 0 40 EDAB CC[C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@@H]1N1CCOCC1 84735803 AMVASXUAGQUWSM-SJORKVTESA-N 334.464 1.541 0 40 EDAB C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nnc2n1CCC2 89913798 IXSRGEAGVYHVEL-NEPJUHHUSA-N 343.387 1.043 0 40 EDAB CC(=O)N1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 306138825 SIHYPJIFDQULDY-AWEZNQCLSA-N 329.404 1.292 0 40 EDAB CC(C)c1nc(S(=O)(=O)NC(=O)C2CC3(CCC3)C2)cn1C 408498883 LTXHQZYZOGJSNU-UHFFFAOYSA-N 325.434 1.929 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(CN2CCCCC2)o1 27979462 AXLVJGOYZAUBIV-GFCCVEGCSA-N 326.418 1.182 0 40 EDAB NC(=O)[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 3850642 NJAHVCNYVYDOEU-INIZCTEOSA-N 326.352 1.371 0 40 EDAB biogenic Cc1ccc(Cl)c(S(=O)(=O)NCCN2CCN(C)CC2)c1 188203623 GJJNRILZEUGYNG-UHFFFAOYSA-N 331.869 1.174 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1[C@H]2CC[C@H]1c1cncnc1C2 238852087 JNIASGGKTGZNJB-FZMZJTMJSA-N 333.417 1.277 0 40 EDAB Cc1ccc(-n2[nH]c(C(=O)NC[C@@H]3CCCC[C@@H]3O)cc2=O)cc1 73931989 PUVMZIVGGAFRRP-BBRMVZONSA-N 329.400 1.755 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@H](Cc2cccc(Br)n2)C1 74941191 CPRWTWILJDKIEI-SNVBAGLBSA-N 348.266 1.515 0 40 EDAB Cc1c2ncn(CC(=O)Nc3cccc(Cl)c3)c(=O)c2nn1C 32647436 GPYXQZLZCOOOPG-UHFFFAOYSA-N 331.763 1.731 0 40 EDAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(N)C(=O)O)cc1 218051178 HSHPLOPCHMUZAE-VYDXJSESSA-N 331.393 1.717 0 40 EDAB CCOCCCNC(=O)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 75163692 KNQGUXJUWYRSIB-UHFFFAOYSA-N 343.309 1.838 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)NC[C@](C)(O)c2ccco2)c1 75156334 NLAWEMHQCIRQFY-HNNXBMFYSA-N 341.385 1.483 0 40 EDAB Cc1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2cccc(F)c2)no1 72241768 CDPSTKPLSSXNJN-GJZGRUSLSA-N 333.319 1.659 0 40 EDAB O=C(C1CCCC1)N1CCC(n2nnn(-c3cccs3)c2=O)CC1 72337609 RRKKPKLOCKATNK-UHFFFAOYSA-N 347.444 1.844 0 40 EDAB COC(=O)c1ccc(CN2CC(c3nc(-c4ncccn4)no3)C2)o1 49483185 YVGPVEGBCYREFT-UHFFFAOYSA-N 341.327 1.506 0 40 EDAB COc1ccc(NC(=O)C2(C3(C(=O)N4CCOCC4)CC3)CC2)cn1 225927117 QRXCJBYQOYNESJ-UHFFFAOYSA-N 345.399 1.448 0 40 EDAB O=C([C@@H]1Cc2ccccc2CO1)N1CCC[C@H](Oc2cnccn2)C1 225474956 GZBBISIRVJWRMT-IRXDYDNUSA-N 339.395 1.988 0 40 EDAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 226326849 QREBJGMDUBRIBD-UWWPHRKUSA-N 344.386 1.997 0 40 EDAB CN(C)c1ccc(O[C@H]2CCN(C(=O)Cc3cccs3)C2)nn1 225444918 VBCCZBBQQXDCJW-LBPRGKRZSA-N 332.429 1.827 0 40 EDAB CN(C)Cc1cccc(NS(=O)(=O)c2cnc3c(cnn3C)c2)c1 195571787 BAEOOUUOLIETDM-UHFFFAOYSA-N 345.428 1.831 0 40 EDAB O=C(c1ccccc1-c1ncn[nH]1)N1CCN(c2ccccc2)C(=O)C1 20775843 MHGLBMBRNQPXFM-UHFFFAOYSA-N 347.378 1.961 0 40 EDAB CC(C)(O)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 191855128 OICMBIJXRNZKGJ-UHFFFAOYSA-N 325.840 1.349 0 40 EDAB O=C1c2cnc(N3CCOCC3)nc2CN1CCc1cccs1 40714329 FXGWSGUPUQOORO-UHFFFAOYSA-N 330.413 1.573 0 40 EDAB CNC(=O)c1nc2c(s1)CCN(C(=O)c1cccc(OC)c1)CC2 96146963 OALRMEMKYMOIAR-UHFFFAOYSA-N 345.424 1.752 0 40 EDAB COCCC(=O)N1CC[C@H]2C(=O)N(c3ccsc3)CCO[C@H]2C1 96107148 QIYDQUCIEMBTRC-KGLIPLIRSA-N 338.429 1.365 0 40 EDAB Cc1cccc(CN2CCO[C@H]3CN(C(=O)N(C)C)CC[C@H]3C2=O)c1 96107157 XDEDMPKEMWKRKV-SJORKVTESA-N 345.443 1.726 0 40 EDAB O=C(c1cccs1)N1CCC2(CC1)C[C@@H](N1CCOCC1)CO2 96047971 VKZKARHPWRRRMX-CQSZACIVSA-N 336.457 1.844 0 40 EDAB Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(CC2(CO)COC2)C1 578776376 QCHKIHQCCLUJTA-NSHDSACASA-N 333.354 1.627 0 40 EDAB Cn1ccc(C(=O)N2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)n1 96219014 QBOBEHGIXMYYOC-PXAZEXFGSA-N 343.387 1.012 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCC(n2ncc3c2CNC3)CC1 333465134 HGGQXCVENANQTF-UHFFFAOYSA-N 336.399 1.840 0 40 EDAB O=C(NCCCc1nc(-c2ccncc2)cs1)[C@H]1COCCN1 238071328 GPHNUDCMBSQAMP-CYBMUJFWSA-N 332.429 1.242 0 40 EDAB COc1ccccc1CCNC(=O)Cn1cc(OC)c(=O)cc1C 96115998 MSDWCZDAYXPOOR-UHFFFAOYSA-N 330.384 1.533 0 40 EDAB biogenic COc1cc(NC(=O)NCc2nccc(N(C)C)n2)cc(OC)c1 96121029 AOLCKDLOLPLAOU-UHFFFAOYSA-N 331.376 1.882 0 40 EDAB O=C(N1CCOCC1)N1CCC2(CCN(Cc3ccccn3)CC2)C1 97954333 MKJPUBLNTSDKFX-UHFFFAOYSA-N 344.459 1.822 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@H](C(=O)NCc4cccs4)[C@H]3C2)no1 96219470 YSAMTCWJICCLTF-OWCLPIDISA-N 347.440 1.808 0 40 EDAB Cn1cc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cn1 96108765 MOMAHOLDUYGIES-QZTJIDSGSA-N 335.448 1.312 0 40 EDAB O=C(c1ccc[nH]1)N1CCOC[C@]2(CCN(C3CCOCC3)C2)C1 96070357 GUBPQSMIPJPCTB-SFHVURJKSA-N 333.432 1.358 0 40 EDAB Cc1cccn2cc(CCNC(=O)CN(C)[C@@H]3CCSC3)nc12 96486859 SJJHCXPFBYTLIZ-OAHLLOKOSA-N 332.473 1.739 0 40 EDAB COc1cncc(N2CCN(C[C@H](O)c3cccc(F)c3)CC2)n1 96406657 MFFPZWXDMHLJCD-HNNXBMFYSA-N 332.379 1.480 0 40 EDAB Cc1cc(C)n(-c2ccc(CN3CC[C@@](O)(c4cnn[nH]4)C3)cc2)n1 583618451 WJTTXZUAAJUKAF-SFHVURJKSA-N 338.415 1.701 0 40 EDAB COc1ccccc1/C(C)=C/C(=O)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617784 RSLAOPZAISDYLG-HGZMWJMZSA-N 342.399 1.727 0 40 EDAB C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1ccccc1 583616327 VHLKHOPKAWQGLI-OAGGEKHMSA-N 325.430 1.627 0 40 EDAB CN1CCC(CN2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2cccs2)CC1 96063852 BTZVBIHLZWZINZ-CABCVRRESA-N 347.484 1.905 0 40 EDAB C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CCO1 96403677 ILKWYHCMFNXCCN-SECBINFHSA-N 334.344 1.936 0 40 EDAB Cn1nnc2c1CCN(C(=O)c1ccccn1)[C@@H]2COCC1CC1 96045287 PLCDEWPZFHCBQE-OAHLLOKOSA-N 327.388 1.376 0 40 EDAB O=S(=O)(C1CC1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1 247310806 INRWYTLABDWXHK-CYBMUJFWSA-N 347.444 1.314 0 40 EDAB CC(=O)N1CCn2cc(CC(=O)NCCc3cccs3)nc2[C@H]1C 247900506 ANHSTUHVAYCKLU-GFCCVEGCSA-N 346.456 1.769 0 40 EDAB N[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242547858 KWSKWCXUZRABRJ-BZUAXINKSA-N 337.828 1.970 0 40 EDAB O=C(NC[C@H](O)CN1CCOCC1)C1(C(F)(F)F)CCCCC1 585100450 WVSYCHDNEFWIOP-LBPRGKRZSA-N 338.370 1.309 0 40 EDAB CCCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C1CC1 585121023 CFVLIRUIOUWWKG-HNNXBMFYSA-N 349.406 1.129 0 40 EDAB CN(C)[S@@](C)(=O)=NC(=O)c1ccc(NC(=O)c2ccn(C)c2)cc1 585127823 KMPQTACYQBWAPC-DEOSSOPVSA-N 348.428 1.992 0 40 EDAB O=C(Cn1ccnc1)N1CCCC[C@@H]1c1cc(O)n2nccc2n1 257250069 JKWCGMGNNRKCLZ-CYBMUJFWSA-N 326.360 1.385 0 40 EDAB Cc1nccn1[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@H]1O 257275634 NQERGKCRDUDDEH-BRWVUGGUSA-N 349.456 1.766 0 40 EDAB COCC(=O)N1CCC[C@H]1c1cncc(-c2cncc(C(=O)O)c2)n1 257234873 GVKSZMFUUPRALD-HNNXBMFYSA-N 342.355 1.547 0 40 EDAB CN(C)S(=O)(=O)N1CC[C@@H](Cc2ccc(-c3ccnn3C)nc2)C1 257307012 SWWOFQKXWXNLQO-AWEZNQCLSA-N 349.460 1.153 0 40 EDAB Cc1nc(CN[C@@H]2CC[C@@H](Oc3cccc(F)c3)[C@@H](O)[C@@H]2O)co1 257321572 WCFDDJUMJXYJRD-QBPKDAKJSA-N 336.363 1.544 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)nc(C)n1 257298078 RKAVBRXPSSVYAA-INIZCTEOSA-N 339.399 1.975 0 40 EDAB COc1ccc(C)cc1NC(=O)CN1CC[C@H](O)[C@]2(CCCO2)C1 257247853 JAVZKCOVXUEWKK-WMZOPIPTSA-N 334.416 1.558 0 40 EDAB Cc1nccc(N2CCC[C@H](Cc3cc(C(N)=O)ncn3)CC2)n1 257249697 JJJWLSCRERDPIW-ZDUSSCGKSA-N 326.404 1.523 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 253488972 CLLLDCPNEYEXJQ-ZDUSSCGKSA-N 328.459 1.508 0 40 EDAB CCn1cc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)c(C)n1 257285068 PFMLUACRIVVLLN-GOSISDBHSA-N 343.431 1.368 0 40 EDAB Cc1sc(CNC(=O)CN2Cc3ccccc3C2=O)nc1C(=O)O 1615056027 SRPFVJYTQDHKPE-UHFFFAOYSA-N 345.380 1.422 0 40 EDAB CCC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(O)cccc1OC 1615552746 YIXBQEDOHWGKJC-NSHDSACASA-N 327.402 1.923 0 40 EDAB NC(=O)COc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 28256259 GFVFQDAESYTZOF-UHFFFAOYSA-N 342.323 1.630 0 40 EDAB O=C(c1cnn(-c2ccccc2)n1)N1CCC(Nc2cccnn2)CC1 69655236 JCCLLFPXMHIZBY-UHFFFAOYSA-N 349.398 1.774 0 40 EDAB FC(F)(F)CN1CCN(c2ncc(Br)cn2)CC1 70168602 PBJLRFFXYSARGS-UHFFFAOYSA-N 325.132 1.923 0 40 EDAB COc1cccc(CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1OC 44873199 RJSAISICXHDFDX-ZDUSSCGKSA-N 341.429 1.282 0 40 EDAB C[C@@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)N1CCOCC1 44912759 WCDBPCICABXFIJ-NSHDSACASA-N 347.337 1.473 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)COc3ccccc3F)C2)n1 1775985839 BEOSTANOCFCTBF-UHFFFAOYSA-N 331.347 1.228 0 40 EDAB CCOC(=O)[C@@]12CCN(C(=O)OCc3ccccc3)C[C@@H]1CNC2 40443102 ARFIHETXHFXETN-MAUKXSAKSA-N 332.400 1.798 0 40 EDAB in-vitro CC(C)NC(=O)[C@@H](C)N1CCN(c2ncc(Cl)cc2F)CC1 79299007 SCIOQYGDSOEYOJ-LLVKDONJSA-N 328.819 1.909 0 40 EDAB CN1C(=O)CN(C2CCN(C(=O)c3cc4ccccn4c3)CC2)C1=O 669746610 UISRPBQKUUSVMJ-UHFFFAOYSA-N 340.383 1.438 0 40 EDAB CCc1n[nH]c([C@@H]2CN(CC(=O)Nc3nc(C)cs3)CCO2)n1 89289826 QLKWPVOPUCWTPG-JTQLQIEISA-N 336.421 1.144 0 40 EDAB Cc1ccsc1S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 548250773 YXZCCVWAEJRPNH-LBPRGKRZSA-N 341.410 1.736 0 40 EDAB O=C(C1CCOCC1)N1CC(Cn2cc(Br)cn2)C1 1889108945 NEUZELXLUDMSDC-UHFFFAOYSA-N 328.210 1.531 0 40 EDAB Cc1nc2n(n1)C[C@H](C(=O)NCc1noc(C(F)(F)Cl)n1)CC2 1548453508 YHQGEIJORXKHKM-SSDOTTSWSA-N 346.725 1.136 0 40 EDAB CN(C(=O)C1CC1)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775971932 ZDAMNAAITMUGPI-UHFFFAOYSA-N 349.398 1.243 0 40 EDAB CCOc1ccccc1N(CC(=O)NC(C)(C)C)S(C)(=O)=O 5654520 LCTCAYNWTHCASV-UHFFFAOYSA-N 328.434 1.766 0 40 EDAB COCC(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 12407804 YWQQIJDHMHYFBI-WDEREUQCSA-N 347.341 1.451 0 40 EDAB C[C@@H](OC(=O)C1CCN(C(N)=O)CC1)C(=O)N[C@H](C)c1ccccc1 12824814 YJSXQDXAHWETOF-CHWSQXEVSA-N 347.415 1.586 0 40 EDAB CCOC(=O)Nc1ccc2c(c1)nc(CNC(=O)[C@H]1CCCO1)n2C 13691164 GBHAJHVBGIWRNB-CQSZACIVSA-N 346.387 1.937 0 40 EDAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NC[C@H]1CCCO1 19576205 QYSAUTNKEUMJHA-JUWZCLJNSA-N 328.368 1.369 0 40 EDAB CC(C)[C@H](Cn1ccnn1)NS(=O)(=O)c1ccc2c(c1)CCO2 575608123 LWOUKWHICZDNSH-AWEZNQCLSA-N 336.417 1.216 0 40 EDAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(CC(C)C)C2=O)cc1 3395982 BYIPZIFIMWZMKP-KRWDZBQOSA-N 333.388 1.990 0 40 EDAB Cc1nccn1CC1CN(S(=O)(=O)c2cc(F)cc(F)c2)C1 1849685423 KLIXLAAOJACBHD-UHFFFAOYSA-N 327.356 1.790 0 40 EDAB C[C@H](OC(=O)c1cc[n+]([O-])cc1)C(=O)Nc1ccc2c(c1)OCO2 5961781 PJWGMNBDPUZUHV-JTQLQIEISA-N 330.296 1.233 0 40 EDAB Cc1ccnc(N2CCN(c3nc(O)c(F)c(C(C)C)n3)CC2)n1 1888854258 QUIUKLRXIAULHB-UHFFFAOYSA-N 332.383 1.870 0 40 EDAB Cc1cc(N2CCN(Cc3csc(C)n3)CC2)nc(N(C)C)n1 1889089353 ACMVLCSLYBUUTL-UHFFFAOYSA-N 332.477 1.938 0 40 EDAB CCOC(=O)CCNC(=O)NCc1nc(-c2cc(C3CC3)on2)no1 238810951 AHHQJJLXYJBVIC-UHFFFAOYSA-N 349.347 1.354 0 40 EDAB Cc1nc(CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)no1 2087122908 ZSESBMTXYAZOFE-UHFFFAOYSA-N 328.298 1.509 0 40 EDAB CCc1ccc(C(=O)N2C[C@H]3ON=C(C(=O)NC4CCC4)[C@H]3C2)cn1 1565546709 IQIBQPWNDWDNGQ-LSDHHAIUSA-N 342.399 1.140 0 40 EDAB Cn1cnc(C(=O)N2CC[C@@]3(C[C@H](Nc4ccccc4)CO3)C2)n1 1565551212 NPVIYFLCJHPZLB-WMLDXEAASA-N 327.388 1.301 0 40 EDAB C[C@H]1S[C@H](C)C(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 2710818 WBIWXOYFBIBKLU-RKDXNWHRSA-N 336.369 1.233 0 40 EDAB COc1ccccc1CCNC(=O)c1c(O)nc2sccn2c1=O 10166648 HJIUDULJFJZPCI-UHFFFAOYSA-N 345.380 1.443 0 40 EDAB COc1ccc(C(=O)NC2CN(c3ncnc4ccsc34)C2)cn1 1775975528 JJZAWVITVIBWBM-UHFFFAOYSA-N 341.396 1.714 0 40 EDAB O=C(NCC(=O)N1CC(Oc2nccs2)C1)OCc1ccccc1 206921339 AEMSNLWTWHPFOU-UHFFFAOYSA-N 347.396 1.659 0 40 EDAB COc1ccc(-n2ccnc(SCC(N)=O)c2=O)cc1Cl 4853039 XNHUFTBQFRKHSD-UHFFFAOYSA-N 325.777 1.472 0 40 EDAB CCOC(=O)CN(C(=O)CN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 40007855 WBQQVOPACILGDJ-HUUCEWRRSA-N 334.416 1.692 0 40 EDAB COc1ccc([C@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1F 31218862 UODHWUWKIZZQON-VIFPVBQESA-N 333.363 1.954 0 40 EDAB O=C(O)[C@H]1[C@H]2C[C@@H]2CN1S(=O)(=O)c1ccc(Br)cc1 100941640 UWSISCWAFROVHI-PPKCKEKNSA-N 346.202 1.543 0 40 EDAB CCc1ccc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)s1 40538912 MFIUKJLJDOAGBD-LLVKDONJSA-N 330.475 1.598 0 40 EDAB CS(=O)(=O)N1CCN(C(=O)CCc2ccc(F)c(F)c2)CC1 40512831 HKWUCOOWDHSZCG-UHFFFAOYSA-N 332.372 1.001 0 40 EDAB CN1C(=O)[C@@H](NC(=O)C(=O)NCc2cccc(F)c2)c2ccccc21 101655950 BLSMOHGYSWXAAS-HNNXBMFYSA-N 341.342 1.276 0 40 EDAB CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 380579 NXQYRYQMEOMEHF-UHFFFAOYSA-N 347.806 1.201 0 40 EDAB Cc1c(C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)cnn1C 21603750 LFYPVGNZHVXPKP-UHFFFAOYSA-N 345.355 1.685 0 40 EDAB Cc1csc(CNC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)n1 32970501 OXACDUOGZRWOMY-LLVKDONJSA-N 343.412 1.406 0 40 EDAB COC(=O)c1ccc(CNC(=O)NCCNc2ncccn2)cc1 32937743 NASKNEZQMDIQFZ-UHFFFAOYSA-N 329.360 1.175 0 40 EDAB C[C@H]1CN(C(=O)CCn2nc(-c3cccs3)oc2=O)C[C@H](C)O1 52735131 XEKBWBPFCZYSAW-QWRGUYRKSA-N 337.401 1.591 0 40 EDAB O=S1(=O)CC[C@H](N(Cc2ccccc2)Cc2nnnn2C2CC2)C1 52828232 ZMWNFAPDBAGLHY-HNNXBMFYSA-N 347.444 1.197 0 40 EDAB CC(=O)n1c2c(c3ccccc31)=NN1C[C@H](c3ccccc3)N=C1N=2 492852 UHLNWGWDAUBNFI-OAHLLOKOSA-N 329.363 1.882 0 40 EDAB CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCC(=O)O)ccc12 489666 GIQHYYHTXISBTF-SNVBAGLBSA-N 333.340 1.632 0 40 EDAB biogenic Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccn1 529714 PLMIQBFCNSYQNJ-UHFFFAOYSA-N 344.375 1.924 0 40 EDAB Cc1c(NC(=O)C[C@H]2C[C@@H](C)OC2=O)c(=O)n(-c2ccccc2)n1C 538459 IGDNFLNDOAIBOD-DGCLKSJQSA-N 343.383 1.765 0 40 EDAB O=c1/c(=C/c2ccccn2)sc2n1CN(c1ccc(F)cc1)CN=2 521441 MHAOTVVDPXNDDB-DHDCSXOGSA-N 340.383 1.328 0 40 EDAB COc1ccc([C@@H](CC(=O)N[C@H](C)Cn2ccnc2)NC(C)=O)cc1 42532471 NAXPCGYNNHWDTN-CXAGYDPISA-N 344.415 1.664 0 40 EDAB Cn1ncc2c(O)nc(CN3CCN(c4ccc(F)cc4)CC3)nc21 54417604 PAVKSFPLQXAWDZ-UHFFFAOYSA-N 342.378 1.530 0 40 EDAB O=S1(=O)c2cccc3cccc(c23)N1C[C@@H](O)CN1CCOCC1 24085594 HYOGBHRBDGINOT-AWEZNQCLSA-N 348.424 1.042 0 40 EDAB COCC(=O)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 96018661 WILQNHJMOJVEQY-XYOKQWHBSA-N 338.360 1.625 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)NCCN1CCc2sccc2C1 55341598 CEPZCUQICWBSKY-LBPRGKRZSA-N 344.502 1.436 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)NCc2ccccn2)C1=O 12554708 JURSFFIFSUBDQZ-CYBMUJFWSA-N 325.368 1.902 0 40 EDAB CCN1C[C@@H](CN(C)C(=O)NC[C@H]2CCOC2)Oc2ccccc21 106568083 NWJALCYUETYPFH-HUUCEWRRSA-N 333.432 1.952 0 40 EDAB CCN(Cc1ccoc1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 79359996 CYXGWRSLBDDUNJ-WBVHZDCISA-N 344.415 1.971 0 40 EDAB O=C(CN1CCCC[C@@H]1Cn1cncn1)N1CCO[C@H]2CCCC[C@H]21 106784877 NWGRFPNJIDGPHG-ZACQAIPSSA-N 347.463 1.303 0 40 EDAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCC(F)(F)F 34859779 IUKKARQUNWDAGW-UHFFFAOYSA-N 329.322 1.123 0 40 EDAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H](C)[C@H]1CCOC1 96009936 WOEGJPBRVHRHCN-FZMZJTMJSA-N 329.466 1.859 0 40 EDAB Cn1c(CN2CC=C(c3ccc(O)cc3)CC2)cc(=O)n(C)c1=O 25680513 PCXBPTBFCKODBZ-UHFFFAOYSA-N 327.384 1.079 0 40 EDAB COc1ccc2c3c1O[C@@H]1[C@](C)(O)[C@@H](O)C[C@@H]4[C@H](C2)N(C)CC[C@]341 4972556 FDQOEXDFLWOOAL-AZOJCORTSA-N 331.412 1.086 0 40 EDAB CONC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 25824099 LYMFVDZOMDGBEV-UHFFFAOYSA-N 341.161 1.503 0 40 EDAB Cc1ccccc1CCNC(=O)NC1CCN(S(C)(=O)=O)CC1 26280673 NWEMMFXJUBXSHH-UHFFFAOYSA-N 339.461 1.261 0 40 EDAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1 89408272 YLMWUOHAIHAYGU-DOMZBBRYSA-N 340.445 1.216 0 40 EDAB CCCn1nc(C(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1=O 27333406 WZJNQXXIESVKNE-OAHLLOKOSA-N 344.415 1.813 0 40 EDAB CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1nccnc1N 10028268 YBDUPRAYJOTFEE-SNVBAGLBSA-N 328.328 1.445 0 40 EDAB Cc1cc(C)cc(C(=O)NCC(=O)NCCCCn2ccnc2)c1 58196410 YMRPNHDRNWAFJV-UHFFFAOYSA-N 328.416 1.826 0 40 EDAB CC[C@H](C)NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 58227934 TYHQNGWTCVXDDC-LBPRGKRZSA-N 349.474 1.577 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)c(C)c1 58267046 GUVREKPNSQUTIC-GFCCVEGCSA-N 326.418 1.280 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](C)Cn1ccnc1 58298427 CVURHGNJBNPPRO-JTQLQIEISA-N 328.401 1.924 0 40 EDAB CCCNC(=O)CN1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 44907131 AQMDUUFONQLXTH-CYBMUJFWSA-N 337.468 1.572 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCOCC2)c2cccnc12 44933992 DSYMNAWIPBXMTE-AWEZNQCLSA-N 349.456 1.542 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)Cn1cc(Br)ccc1=O 44915696 NPEPLZOMCKGCIS-UHFFFAOYSA-N 339.193 1.003 0 40 EDAB O=C(c1ccoc1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 108528426 XWMZUQMVFRXXIC-IRXDYDNUSA-N 327.384 1.790 0 40 EDAB C[C@@H]1NC(C(=O)N[C@@H](C)[C@@H]2CCCO2)=NN(c2ccccc2)C1=O 27904244 ONCWQBLXJUMXNF-OBJOEFQTSA-N 330.388 1.009 0 40 EDAB CCOC(=O)CN(CC(=O)Nc1ccccc1C(=O)OC)C(C)C 58155743 QMNKIEPOMVUCFK-UHFFFAOYSA-N 336.388 1.685 0 40 EDAB O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccccc1 58490602 OAPYYQDSMFVGJD-MRXNPFEDSA-N 331.416 1.338 0 40 EDAB CN1C(=O)CC[C@H](C(=O)NCCN2CCOCC2)[C@@H]1c1ccccc1 57355473 LEAFKWCHHZLMLW-WMZOPIPTSA-N 345.443 1.045 0 40 EDAB Cc1cc(=O)c(C(=O)N2CCO[C@H](C)C2)nn1-c1ccccc1F 11499528 PTHMMHVMPZKDLH-GFCCVEGCSA-N 331.347 1.541 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cccc3ncccc23)C1 29197371 ZGTPPKANQWEESO-GFCCVEGCSA-N 333.413 1.389 0 40 EDAB CC[C@@H](c1nnc(SCCNCCO)n1-c1ccccc1)N(C)C 2655153 DNOIYAVSOTUVGU-HNNXBMFYSA-N 349.504 1.954 0 40 EDAB COC(=O)c1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1 12603099 ONIBYFBNBDQSSK-UHFFFAOYSA-N 329.356 1.745 0 40 EDAB Cc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1C(N)=O 48287921 MTWHCEHLEHOHNA-UHFFFAOYSA-N 339.461 1.248 0 40 EDAB O=C(COC(=O)CNC(=O)c1ccco1)NCc1ccc(F)cc1 3314513 WWZOAGAXKSGCPV-UHFFFAOYSA-N 334.303 1.008 0 40 EDAB O=C1NCCN1C1CCN(Cc2ccc(-n3cccn3)cc2)CC1 48343079 OZSPWRWFKQRMAK-UHFFFAOYSA-N 325.416 1.862 0 40 EDAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCNC(=O)C3)c12 12870796 NNOZYEBSARZDSH-UHFFFAOYSA-N 349.394 1.516 0 40 EDAB CCc1c(C)sc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c1C(N)=O 101345303 KOAYORSSLRVDCK-FSZOTQKASA-N 334.397 1.385 0 40 EDAB CCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113941247 XKFRTPQCXANIAI-SECBINFHSA-N 334.825 1.639 0 40 EDAB CN(C)C(C)(C)CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 76940979 WSMOURYKRYWRQS-UHFFFAOYSA-N 348.415 1.682 0 40 EDAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)CC[C@@H]1NC(=O)NC1=O 97931244 AQXLHVAIBIVMOJ-OCCSQVGLSA-N 331.416 1.847 0 40 EDAB CC[C@@H](C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1 98010431 XRYWLRPLQHGCNF-CVEARBPZSA-N 326.400 1.835 0 40 EDAB O=C(NC(=S)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl 4387602 SCCIKLYWDJAIGC-MRVPVSSYSA-N 332.834 1.131 0 40 EDAB COc1ccc(CN(C(=O)C2=NN(C)C(=O)CC2)C2CC2)c(OC)c1 65414074 FDIUYFSEURUCLA-UHFFFAOYSA-N 345.399 1.803 0 40 EDAB COCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 65588663 FBZREALCQCJWEN-CYBMUJFWSA-N 325.430 1.979 0 40 EDAB O=C(Cc1ccccc1)NCCC(=O)N1CCCN2CCC[C@@H]2C1 65587432 YGHHYDWYEFGHOC-QGZVFWFLSA-N 329.444 1.432 0 40 EDAB COc1ccccc1S(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C 65513240 DCPTZVKQJBOMCV-QWHCGFSZSA-N 340.445 1.763 0 40 EDAB Nc1nc(Cl)cc(N2CCC(C(=O)NCc3cccnc3)CC2)n1 65944838 LCHAOFSCRDJDAF-UHFFFAOYSA-N 346.822 1.640 0 40 EDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@H](C)Cn1cccn1 95954477 CCQDHSLZVLEFSD-KSSFIOAISA-N 340.427 1.609 0 40 EDAB CC(=O)N[C@@H](C(=O)O[C@H](C)c1nc2ccccc2c(=O)[nH]1)C(C)C 6505076 SRPQNPXKRCZZQJ-QMTHXVAHSA-N 331.372 1.688 0 40 EDAB NC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N 6535667 RDOMHKNRLNQIBD-UHFFFAOYSA-N 332.410 1.416 0 40 EDAB COC(=O)[C@H]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C1 96486710 FQPBXXRDAWNZDO-JQWIXIFHSA-N 341.205 1.470 0 40 EDAB CCCCNC(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O 6851981 FXDKBMIIQWPNCT-QGZVFWFLSA-N 335.379 1.899 0 40 EDAB NC(=O)CN1CCCN(C(=O)c2cc(Br)cs2)CC1 71837360 ACNMYWHPMVWJEY-UHFFFAOYSA-N 346.250 1.144 0 40 EDAB Cc1cc(NC(=O)CN2CCC[C@H]2c2c(C)nn(C)c2C)n(C)n1 71876672 BURDLFQGLUCFSA-AWEZNQCLSA-N 330.436 1.854 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C(=O)c3cn4c(C)cccc4n3)CCO2)n1 83830043 VYNKZUMZWYUKQU-ZDUSSCGKSA-N 340.387 1.537 0 40 EDAB Cc1ccc(Cn2nnc(CCN3C(=O)c4ccccc4C3=O)n2)cc1 7424089 WVIPRAXLALJOCC-UHFFFAOYSA-N 347.378 1.869 0 40 EDAB COc1ccc(CN2C[C@H](C(=O)NC[C@H]3CCCCO3)CC2=O)cc1 71924308 LSSMUEATTQJCSS-NVXWUHKLSA-N 346.427 1.729 0 40 EDAB O=C(NCC[C@H]1CCCO1)c1cc(I)c[nH]1 71908809 WZUIUTOVUFXILZ-SECBINFHSA-N 334.157 1.918 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)C[C@H]2OCCc3ccsc32)CC1 70040826 UFEWRILOWWTGHW-LSDHHAIUSA-N 338.473 1.667 0 40 EDAB O=C(CN1CCC[C@H](CCO)C1)Nc1ccccc1C(=O)NC1CC1 70038190 WRTNZYWHIXBKAB-CQSZACIVSA-N 345.443 1.612 0 40 EDAB Cc1ccc(C(=O)Oc2ccc(C(=O)NCC(N)=O)cc2)cc1C 70007467 AZCGOTXALGELKV-UHFFFAOYSA-N 326.352 1.738 0 40 EDAB COc1ccnc(N2CCN(C(=O)C3(c4ccccc4)CC3)CC2)n1 69348519 AMSMOQVZWKVAQR-UHFFFAOYSA-N 338.411 1.866 0 40 EDAB COc1cc([C@@H](C)NS(=O)(=O)N2CCCC2)cc(OC)c1OC 69351855 NTEPVHHDLAXGNA-LLVKDONJSA-N 344.433 1.704 0 40 EDAB COCCc1nnc2sc(Cc3ccc4c(c3)OCCO4)nn12 8392692 RNYBTAXYSLXQAJ-UHFFFAOYSA-N 332.385 1.737 0 40 EDAB O=C(Cn1nc(-c2ccccc2)oc1=O)NCc1ccc(O)cc1 69433905 WJDWQGRUNOKAEF-UHFFFAOYSA-N 325.324 1.525 0 40 EDAB COc1ccnc(N2CCCN(C(=O)[C@H](C)OCC3CC3)CC2)n1 69441100 RHGAXEBNOYXPQB-ZDUSSCGKSA-N 334.420 1.339 0 40 EDAB CCc1c(C(=O)N2CCn3c(C)nnc3C2)cnn1-c1ccccn1 69453528 BVZYTCUYHWLNIR-UHFFFAOYSA-N 337.387 1.386 0 40 EDAB C[C@H]1CN(S(=O)(=O)NCCCN2CCCC[C@H]2C)C[C@@H](C)O1 69444105 GZIPETSFKKDJQI-KFWWJZLASA-N 333.498 1.195 0 40 EDAB O=C(NCc1ccsc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 69484581 KWHFDBLPORINQF-CQSZACIVSA-N 337.445 1.529 0 40 EDAB CC(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)CC1 69570487 QIKNYRYXNPNYBY-MRXNPFEDSA-N 349.475 1.639 0 40 EDAB CCCCS[C@H](C)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 69596959 MTGONNKDEILFEJ-CYBMUJFWSA-N 343.493 1.105 0 40 EDAB Cc1cc(C(=O)N2CCC[C@@H](NS(=O)(=O)c3ccccc3)C2)on1 69537168 JYYYDSQEBFNBHD-CYBMUJFWSA-N 349.412 1.566 0 40 EDAB COCCN1CCN(Cc2nc(-c3ccc(F)c(C)c3)no2)CC1=O 91839085 KMGRKFZDWMCXTH-UHFFFAOYSA-N 348.378 1.475 0 40 EDAB CCc1cnccc1C(=O)N1CCN([C@H](C)C(=O)NC(C)C)CC1 97034966 JIOURJRNDBKATB-CQSZACIVSA-N 332.448 1.315 0 40 EDAB Cc1ccc2c(O)c(C(=O)N3CCN(C4CCC4)CC3)cnc2n1 69771781 FNUMDOPNFIFQFJ-UHFFFAOYSA-N 326.400 1.954 0 40 EDAB NC(=O)c1cc(NCc2nnnn2-c2ccccc2)c(F)cc1F 69707916 XXSYTZKXOCSOED-UHFFFAOYSA-N 330.298 1.652 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)c2c(F)cccc2F)CC1 69739894 GTTBTYUINXERPO-GFCCVEGCSA-N 328.359 1.120 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2cccnc2-n2cncn2)c(F)c1 69704271 XZOKRFNOZDWAFP-UHFFFAOYSA-N 347.375 1.588 0 40 EDAB O=C(NC1CCN(CC2CCCCC2)CC1)N[C@H]1CCCNC1=O 69739041 OZJIJCKLTQODSH-INIZCTEOSA-N 336.480 1.609 0 40 EDAB O=C1NC(=O)[C@@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)N1 72290730 CAFJAVNZWAEAMW-INIZCTEOSA-N 333.775 1.182 0 40 EDAB O[C@H](CN[C@@H]1CCc2ncnn2C1)COc1ccc2ccccc2c1 69815396 JJEZKTVKBAKLJD-IAGOWNOFSA-N 338.411 1.776 0 40 EDAB CCOCc1cc(C(=O)N2CCN(C[C@H](C)O)CC2)ccc1OC 69978073 LZWPYMBMJSDKBX-AWEZNQCLSA-N 336.432 1.370 0 40 EDAB Cc1nnc2ccc(N3CCC(OC[C@H]4CCCCO4)CC3)nn12 84297097 ZQIQZIQMSYOVOJ-OAHLLOKOSA-N 331.420 1.987 0 40 EDAB COC(=O)C1(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 97379817 KAYCDEIMVYSSEE-NSHDSACASA-N 338.354 1.861 0 40 EDAB CC(C)(C)S(=O)(=O)CCNC(=O)NCc1cc(F)cc(F)c1 95396778 NDLZQANCQCAZOP-UHFFFAOYSA-N 334.388 1.977 0 40 EDAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC(CCN(C)C)CC2)C1 95365107 WAXGFGMVZWSORV-GASCZTMLSA-N 331.526 1.873 0 40 EDAB CCOc1ccc(NC(=O)[C@@H](C)SCc2nc(N)nc(N)n2)cc1 9954694 LPBSKGVNKRDQKG-SECBINFHSA-N 348.432 1.695 0 40 EDAB CC(C)[C@H](NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C)C(N)=O 95401199 SIVAFCXFUJVRRC-NSHDSACASA-N 342.321 1.832 0 40 EDAB COc1cccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 9996198 PLTZKLPOIWZDFF-UHFFFAOYSA-N 339.351 1.727 0 40 EDAB CC[C@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244536 JHNSSDNNMPGJIE-AWEZNQCLSA-N 341.477 1.831 0 40 EDAB O=c1[nH]nc(CCc2nc3ccccc3[nH]2)n1-c1ccc2c(c1)OCO2 67688675 LKMGYKIVWKRERV-UHFFFAOYSA-N 349.350 1.951 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)C1 28575829 DBZOECXGIQSING-HZSPNIEDSA-N 329.404 1.934 0 40 EDAB C[C@H]1OCCN(Cc2nnc(C3CC3)n2C)[C@@H]1c1nc(C2CC2)no1 520853738 UPVPGTHVCOVHKK-YGRLFVJLSA-N 344.419 1.915 0 40 EDAB CC1(C)OC[C@@H]2C[C@]21NC(=O)c1ccc(-n2cnnn2)cc1Cl 529785414 MYBXBRXAQTYZJE-VFZGTOFNSA-N 333.779 1.613 0 40 EDAB CN(C)c1ccc(C(=O)NCCCNC(=O)c2cccs2)cn1 79330940 GNKWRXZUJWBELS-UHFFFAOYSA-N 332.429 1.759 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2cccs2)cc1 74558962 ACNSUGTTWVEAIK-CYBMUJFWSA-N 340.426 1.718 0 40 EDAB O=C(CN1CCCCCCC1=O)NCCC(=O)Nc1ccncc1 78979473 OSSKRGIXIVQHKS-UHFFFAOYSA-N 332.404 1.319 0 40 EDAB CNc1cc([C@H]2CN(Cc3cccnc3NC)CCO2)nc(C)n1 72387844 UXWJFBZBUDNGIM-OAHLLOKOSA-N 328.420 1.837 0 40 EDAB CC(C)c1ccc([C@H](C)NC(=O)c2cccn(CC(N)=O)c2=O)cc1 72344589 JSOFRASHSABLJR-ZDUSSCGKSA-N 341.411 1.948 0 40 EDAB COc1ccc(NC(=O)C(=O)NCCOc2ccccc2OC)cn1 40288226 JEXLLHZASSMNEG-UHFFFAOYSA-N 345.355 1.233 0 40 EDAB NC(=O)Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 225860894 FHRKXNKPUIPYRM-UHFFFAOYSA-N 347.374 1.838 0 40 EDAB CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(C)c(Cl)s2)C1 191899325 HVVKOJRZWOJASQ-JTQLQIEISA-N 336.866 1.999 0 40 EDAB O=C1NCC[C@@H]1N1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)C1 1073412352 NDWFCOHUXIVZGG-INIZCTEOSA-N 338.411 1.204 0 40 EDAB CCN1C(=O)COc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc21 227162068 VSXKHGICEJYGCW-GFCCVEGCSA-N 338.429 1.995 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 226686196 MMZSUCJVIASXOT-UHFFFAOYSA-N 346.836 1.686 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H]1Cc2ccccc2CO1 225787107 VYLOJJCDFKYMDE-HNNXBMFYSA-N 335.429 1.457 0 40 EDAB O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1ccccc1F 224274666 IBSQDQQFNWHIAU-UHFFFAOYSA-N 338.364 1.253 0 40 EDAB Cc1cc(C(=O)NCCC(=O)Nc2ccc3c(c2)CCC3)n(C)n1 96192450 WTGMNZNZXFGCNW-UHFFFAOYSA-N 326.400 1.976 0 40 EDAB CCc1noc(C2CCC(NC[C@@](C)(O)c3cnn(C)c3)CC2)n1 97234823 YAPIZEHUQTVBFB-MKTAYPAQSA-N 333.436 1.889 0 40 EDAB Cc1cc(CN2C[C@H]3[C@H](CC(=O)N4CCCC4)COC[C@H]3C2)no1 97953548 LPMVTQLJRKWJMX-INMHGKMJSA-N 333.432 1.690 0 40 EDAB COCc1nc2n(n1)CCC[C@H]2N[C@@H]1CCN(c2ccccc2)C1=O 96472259 MYYRDXSEYBSLOI-HUUCEWRRSA-N 341.415 1.655 0 40 EDAB Nc1ncnc2c1ncn2[C@@H]1CC[C@H](CO[P@@](=O)(O)OP)O1 90741958 VCGZXRNAVIEYAS-RQJHMYQMSA-N 347.208 1.010 0 40 EDAB O=C(NC1CC1)N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1 96226414 CFCPGRVDHGETRS-QGZVFWFLSA-N 334.395 1.764 0 40 EDAB Cn1cc(CN[C@@H]2CCc3c(ccc(=O)n3Cc3cccnc3)C2)cn1 96196586 QCSUOBPYHHOPEC-GOSISDBHSA-N 349.438 1.672 0 40 EDAB Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)n[nH]1 95980880 YDQPTSBKAFPDJM-MRVPVSSYSA-N 337.742 1.897 0 40 EDAB Cc1occc1C(=O)N1CC[C@H]2[C@@H](CNc3ncccn3)OC[C@H]2C1 96187344 UIGOOMUQLDUGEC-FVQBIDKESA-N 342.399 1.967 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(COCCN(c3ccccc3)C2)C1 96228971 QHEXLAYGEGIAEG-QGZVFWFLSA-N 338.473 1.955 0 40 EDAB COc1ccc(-n2cc(C(=O)NCCCN(C)C)ccc2=O)cc1 96192088 YGIYXLNLIVIUOQ-UHFFFAOYSA-N 329.400 1.528 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1[nH]nc2c1CCc1ccccc1-2 95477486 YGRHGPDZESCHAB-LLVKDONJSA-N 331.397 1.092 0 40 EDAB CN(C)C(=O)N1CCC[C@@]2(COCCN(c3ncccc3F)C2)C1 96229080 CHJWZIRXBXBWHP-KRWDZBQOSA-N 336.411 1.821 0 40 EDAB c1cnc(N2CCC3(CCOC[C@H]3COc3cnccn3)CC2)nc1 96207393 ZYWHVQKGEIDABB-HNNXBMFYSA-N 341.415 1.969 0 40 EDAB O=C(c1cscn1)N1CCOC[C@@]2(CCN(c3ncccn3)C2)C1 96070399 DGYCSVOEDJWGDN-INIZCTEOSA-N 345.428 1.302 0 40 EDAB Cn1cc([C@@](C)(O)CNC(=O)c2cc(Br)cn2C)cn1 96450408 ODJCIJKCDWFXNT-ZDUSSCGKSA-N 341.209 1.159 0 40 EDAB CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccc2c(c1)OCO2 96042009 IFHTYSHGGFKIBA-DHSIGJKJSA-N 333.384 1.753 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CCCNC3)C2)s1 584345691 PNZCIDQDCTVXIZ-CQSZACIVSA-N 328.459 1.367 0 40 EDAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(C)o3)CC2)O1 96036744 GTWYCSDEUSYZFT-HNNXBMFYSA-N 344.415 1.421 0 40 EDAB Cc1nccn1-c1cccc(N[C@@H](C(=O)N2CCOCC2)C(C)C)n1 97230229 NVMUMJAJZYZUBL-QGZVFWFLSA-N 343.431 1.871 0 40 EDAB Cc1csc(CN2Cc3cccn3C[C@@H](OCC(=O)N(C)C)C2)n1 248043325 VVXGCMFQWASMJC-HNNXBMFYSA-N 348.472 1.742 0 40 EDAB COC[C@H]1CCS(=O)(=O)C12CN(Cc1ccc3c(c1)OCO3)C2 247823565 DXTGAPNSXQDEAK-CYBMUJFWSA-N 339.413 1.051 0 40 EDAB c1cnc(OC[C@@H]2CC[C@@H]3[C@H]2OCCN3Cc2ccncc2)nc1 247820492 GKMXSUAOFHNXOM-BBWFWOEESA-N 326.400 1.930 0 40 EDAB CN1CCC(CCO)(NC(=O)c2cc(F)c(F)c(F)c2F)CC1 585126184 RDWHFPUYIBJBTP-UHFFFAOYSA-N 334.313 1.820 0 40 EDAB CCN1C(=O)CCc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc21 257173443 NOERWLGJSYXKQY-ZDUSSCGKSA-N 338.429 1.443 0 40 EDAB CNc1nccnc1[C@H]1CN(C(=O)Cc2ccccc2F)CCO1 257246044 ISEQDPOVPJTYPA-CQSZACIVSA-N 330.363 1.800 0 40 EDAB O=C(N1CCCC1)[C@]1(c2cnccn2)CCCN1Cc1cncnc1 257314924 UZEIXYLMNOOABB-GOSISDBHSA-N 338.415 1.380 0 40 EDAB CN(C)c1cccc([C@H]2CN(C(=O)Cc3cccnc3)CCO2)n1 257231866 GILYQSXDKVLHIT-MRXNPFEDSA-N 326.400 1.685 0 40 EDAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1 252487913 IEFPUTVCJPJZKY-UKRRQHHQSA-N 329.462 1.740 0 40 EDAB CN(C)C(=O)CN1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1F 257210614 BVKXXPVORINAEE-LPHOPBHVSA-N 347.434 1.869 0 40 EDAB Cc1cnc(C(=O)NCc2cnc(C)nc2[C@@H]2CCCN2C)cn1 257335157 YIXNDCJOQCSHHB-HNNXBMFYSA-N 326.404 1.580 0 40 EDAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](c2ccnc(O)n2)C1 257223441 DXJDCFSXUGLKFZ-LBPRGKRZSA-N 327.340 1.931 0 40 EDAB Cc1nc(O)cc([C@@H]2CN(S(=O)(=O)Cc3ccccc3)CCO2)n1 257203543 AQNNMRSDBQVOFH-HNNXBMFYSA-N 349.412 1.394 0 40 EDAB Cc1nc(O)cc([C@H]2COCCN2C(=O)Cc2c(C)noc2C)n1 257207874 BJSRVDTZOADAPM-CQSZACIVSA-N 332.360 1.238 0 40 EDAB COCCOC[C@@H]1CCN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)C1 266443160 UVUFQKPEFSBWRC-VBQJREDUSA-N 335.400 1.726 0 40 EDAB CCOc1ccc(S(=O)(=O)N(C)c2cnn(C)c2)cc1C(=O)O 451060365 WKUKQRKKOBBFSF-UHFFFAOYSA-N 339.373 1.342 0 40 EDAB C[C@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C)n1cnnn1 1614476976 BGULSXIRPKNCSY-BXUZGUMPSA-N 325.376 1.485 0 40 EDAB Cc1ccc(C)c(Oc2ccc(CNC(=O)NC[C@@H](O)CO)cn2)c1 1615056935 OHCUMVCDODZPOS-OAHLLOKOSA-N 345.399 1.643 0 40 EDAB COCCc1nsc(N[C@@H](C)CNC(=O)c2ccsn2)n1 1098111510 ZDLLFIXKUIWZIT-QMMMGPOBSA-N 327.435 1.414 0 40 EDAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nn1 731433854 WOBINSQLAISFNX-AWEZNQCLSA-N 327.344 1.458 0 40 EDAB COc1nc(CNC(=O)COc2ccc(Cl)cc2)nc(OC)n1 575603653 HUFPUHRIDMYVFS-UHFFFAOYSA-N 338.751 1.237 0 40 EDAB COc1cccc(CN(C)C(=O)[C@@H]2CC[C@@H](N(C)C(C)=O)[C@H]2OC)c1 585281476 YDHVKXVFWBNCCE-KURKYZTESA-N 348.443 1.926 0 40 EDAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)CCn2ccnc2)CCO1 585277073 JSACHKPCWXCPAP-IBGZPJMESA-N 343.427 1.414 0 40 EDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCC1=Cc2ccccc2OC1 72300530 FMYDLVHVBHWBIV-CJNGLKHVSA-N 336.457 1.722 0 40 EDAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)c3nccs3)[C@@H](C)C[C@H]21 1775964396 OATZEJOITAQHPV-WUHRBBMRSA-N 337.445 1.392 0 40 EDAB biogenic,in-vitro CN1CC[C@@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CC1=O 75141608 UMMRQHTZCBTFFN-OAHLLOKOSA-N 335.448 1.106 0 40 EDAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(CCO)CC1 75572213 UILYWDQLZFFKPH-UHFFFAOYSA-N 347.390 1.550 0 40 EDAB CCN(C(=O)c1cc2ccccc2c(OC)n1)[C@H]1CCS(=O)(=O)C1 58292886 IMBUDZZXMNBCBF-ZDUSSCGKSA-N 348.424 1.893 0 40 EDAB CC(C)CC(=O)N1CCC(NC(=O)[C@H](C)NC(=O)c2ccoc2)CC1 58292927 ZWIUBIRCYBEZAK-ZDUSSCGKSA-N 349.431 1.551 0 40 EDAB O=C(NC1COC1)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595594 HBYMTKWMGLWOSJ-RYRKJORJSA-N 328.412 1.593 0 40 EDAB CCOC(=O)C1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccco1 5398792 HZHNPFPNYSMCEL-SSDOTTSWSA-N 335.341 1.283 0 40 EDAB CCOCCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12199749 XKRQMYBZUHGMSR-UHFFFAOYSA-N 340.401 1.045 0 40 EDAB COc1ccc(OC)c(NC(=O)Cn2nc3n(c2=O)CCCCC3)c1 12924766 PPXKWWUNUCBNRL-UHFFFAOYSA-N 346.387 1.427 0 40 EDAB Cc1cnc(NC(=O)Cc2csc(NS(C)(=O)=O)n2)s1 13719734 KBVKIPQBAFJSGQ-UHFFFAOYSA-N 332.432 1.461 0 40 EDAB C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(N)=O)C[C@@H](C)O1 14112705 IVEGBXSMUJGCGF-AOOOYVTPSA-N 326.780 1.454 0 40 EDAB Cc1cc(C)cc(N2C(=O)C[C@H](N3CCC(C(=O)O)CC3)C2=O)c1 18063857 CQMYMVXUYUSSDI-HNNXBMFYSA-N 330.384 1.732 0 40 EDAB O=C(Cc1ccc(F)cc1)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 19333194 SNNREJJWLQNWTF-AWEZNQCLSA-N 340.402 1.820 0 40 EDAB Cc1nonc1CN(C)CC(=O)Nc1ccccc1-n1ccnc1 19658494 KNLMOCPXQMYTAN-UHFFFAOYSA-N 326.360 1.634 0 40 EDAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NC[C@H]1CCCO1 19937587 CAFSNKMYPLFOTA-CQSZACIVSA-N 347.802 1.928 0 40 EDAB CC(C)OC(=O)CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O 6327895 MMBSGFYDSXOOSA-SEYXRHQNSA-N 346.364 1.997 0 40 EDAB O=C(NCc1nc(C2CCOCC2)no1)c1cccc2c1OCCO2 575608073 QHUGWWJHYZCCQD-UHFFFAOYSA-N 345.355 1.665 0 40 EDAB Cc1ccc(CN(C)C(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)o1 6778951 DCHDHWPJWIHJRY-AEGPPILISA-N 330.384 1.886 0 40 EDAB CCc1nc(N2C[C@@H]3CN(c4ncc(F)cn4)C[C@H]3C2)nc(O)c1F 1888854166 CFSWSCXWHHNEBU-UWVGGRQHSA-N 348.357 1.385 0 40 EDAB CCOc1ccc(S(=O)(=O)NC2CN(c3cnccn3)C2)cc1 1888878971 YQTACDXIQMAZJL-UHFFFAOYSA-N 334.401 1.042 0 40 EDAB COCCN1CC[C@]2(CN(C(=O)CC3(OC)CCC3)C[C@H]2C)C1=O 1614933829 GDXPXXGDIMPVOD-RDTXWAMCSA-N 338.448 1.289 0 40 EDAB COc1cnc(C(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@H]3C2)nc1 1565546026 RBAYUIVBGAJJNJ-HIFRSBDPSA-N 334.420 1.057 0 40 EDAB O=C(NCCS(=O)(=O)NCCc1ccccc1)c1ccccc1 4940922 PACYPUYXRBQMGZ-UHFFFAOYSA-N 332.425 1.579 0 40 EDAB Cc1nnc2sc(SCC(=O)Nc3nccs3)nn2c1=O 8830509 PJJASBCDJTUNAN-UHFFFAOYSA-N 340.415 1.042 0 40 EDAB CC(C)CNC(=O)C(=O)NCCCN1CCO[C@H](c2ccccc2)C1 23127806 MTNPPBZKSPGROW-KRWDZBQOSA-N 347.459 1.338 0 40 EDAB Cc1cc(C(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)no1 225606394 YTBKGAPULSJRFF-UHFFFAOYSA-N 343.387 1.114 0 40 EDAB O=C(CN1CC(c2nc(-c3ncccn3)no2)C1)Nc1nccs1 49483146 RHYNYVHIIFNQEM-UHFFFAOYSA-N 343.372 1.021 0 40 EDAB O=c1cc(N2CCC3(CC2)OCCO3)[nH]c(=O)n1C1CCCCC1 2961197 ABHPNTWSMRGXRE-UHFFFAOYSA-N 335.404 1.385 0 40 EDAB COc1ccccc1CNC(=O)C(=O)NC[C@H](O)c1ccsc1 56906458 STRFTHUNDQATIT-ZDUSSCGKSA-N 334.397 1.223 0 40 EDAB CC(C)n1cnc(S(=O)(=O)NCC2(OCCO)CCCC2)c1 952987940 ZTNANEHVIZNSKR-UHFFFAOYSA-N 331.438 1.064 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1C 30334981 NLNQOYWRBAXCAF-UHFFFAOYSA-N 348.428 1.305 0 40 EDAB Cc1ccc(S(=O)(=O)Nc2cccc(NS(N)(=O)=O)c2)s1 40218578 ZQTXUYVUCNTORF-UHFFFAOYSA-N 347.443 1.473 0 40 EDAB NC(=O)C1CCN(C(=O)NCCc2cnn(-c3ccccc3)c2)CC1 40487804 HUUOXEMKVQNILK-UHFFFAOYSA-N 341.415 1.322 0 40 EDAB CCO[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)OC)cc2C)C1 51137391 YRAAVGPQPDNQIP-CQSZACIVSA-N 341.429 1.971 0 40 EDAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(=O)[nH]n2)c1 40541773 ZYRQNUVELFQGND-NSHDSACASA-N 328.372 1.685 0 40 EDAB CC(C)(C)c1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O 32689028 XCBYAPFMKGZOPI-UHFFFAOYSA-N 343.383 1.876 0 40 EDAB NC(=O)c1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1F 33063543 RFXKLVBESSBLCW-UHFFFAOYSA-N 330.241 1.779 0 40 EDAB Cc1cnc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cn1 24218837 HUNLIOUHPMIJDZ-UHFFFAOYSA-N 340.431 1.969 0 40 EDAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 105669670 SXEHFZOGEUPOQA-KCQAQPDRSA-N 336.457 1.989 0 40 EDAB CN1C(=O)[C@@H]2[C@H]3O[C@@H]([C@H]4ON=C(c5ccc(Cl)cc5)[C@@H]34)[C@H]2C1=O 105631773 IXWSIECVSPDUSA-GIACCSKYSA-N 332.743 1.071 0 40 EDAB CC(=O)N1CCN(C(=O)CCNCc2ccc(Cl)c(C)c2)CC1 96002088 HPBGPTROTIFQKL-UHFFFAOYSA-N 337.851 1.819 0 40 EDAB O=[S@@](CCN1CCO[C@H](CNc2cccnn2)C1)c1ccccc1 78894123 SGMCKHALZQDPAU-OYLFLEFRSA-N 346.456 1.397 0 40 EDAB NC(=O)[C@H]1CCCN(C(=O)CNc2ccc(F)c(C(F)(F)F)c2)C1 79062144 TYIBHKNXMLATCG-VIFPVBQESA-N 347.312 1.980 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(C)C 1642756 HPCAUARJFQDLKR-IRXDYDNUSA-N 346.427 1.882 0 40 EDAB Nc1nc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n[nH]1 2630084 UVSAKEWHQGJEIY-UHFFFAOYSA-N 329.288 1.439 0 40 EDAB O=C(N1CCN(c2cnccn2)CC1)C1(c2ccc(F)cc2)CC1 25344426 XXGZIMZNAYFPFI-UHFFFAOYSA-N 326.375 1.996 0 40 EDAB CCCCn1nnc(NC(=S)NC(=O)c2ccccc2OC)n1 6204373 RKDWSEUUMUBUJW-UHFFFAOYSA-N 334.405 1.609 0 40 EDAB CNC(=O)c1ccc(/C=C/C(=O)NCCNc2cnccn2)cc1 56497577 SXCSNDBQDPFQQV-QPJJXVBHSA-N 325.372 1.078 0 40 EDAB Nc1nc(N)nc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n1 7188681 AQYRQBFNZDWQEZ-LBPRGKRZSA-N 344.444 1.882 0 40 EDAB COc1cccc(C(=O)N2CC(S(=O)(=O)Nc3ccccc3)C2)n1 96005421 WNIPPADLZOXJEJ-UHFFFAOYSA-N 347.396 1.357 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)c1C 8325477 INIXHPDHFLQFDG-ZDUSSCGKSA-N 349.387 1.567 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCC(c2nnc3n2CCC3)CC1 57997037 SBBARBZVNULRKJ-UHFFFAOYSA-N 346.456 1.934 0 40 EDAB Cc1nc(COC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)oc1C 109065772 YMJYNVMEWGOKIY-UHFFFAOYSA-N 330.344 1.530 0 40 EDAB CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1 58264863 QDFWEYBQHDTKGI-GFCCVEGCSA-N 346.449 1.804 0 40 EDAB O=C(COCCOc1ccccc1)Nc1ccnn1C[C@H]1CCOC1 58283416 RXWLNFYJRPTHTN-OAHLLOKOSA-N 345.399 1.954 0 40 EDAB COc1ccc(COCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1 44954740 URHNPRZYOPKXKQ-KRWDZBQOSA-N 328.368 1.555 0 40 EDAB COc1cccc(C[C@H](C(=O)N2CCCCC2)n2nnnc2C)c1 44950610 GRFBFICBUNSLAG-MRXNPFEDSA-N 329.404 1.786 0 40 EDAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCC[C@H](CO)C2)cc1 36138502 IDUPFBAXONUEHN-ZDUSSCGKSA-N 338.429 1.206 0 40 EDAB O=C(CN[C@@H](CN1CCOCC1)c1ccccc1)NCc1ccco1 102700495 GVMNUMBUQJGIED-SFHVURJKSA-N 343.427 1.559 0 40 EDAB C[C@H]1CN(CC(=O)Nc2ccnn2Cc2ccccc2)C[C@H](C)O1 28913846 SDASZAYAJJISOH-GJZGRUSLSA-N 328.416 1.979 0 40 EDAB CS(=O)(=O)N[C@H]1CCN(Cc2nc(C(F)(F)F)cs2)C1 95433794 FYSZCQFNNDWGDU-ZETCQYMHSA-N 329.369 1.285 0 40 EDAB C[C@@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)n1cncn1 45884589 UVSVKUIEAXLPSG-AWEZNQCLSA-N 329.404 1.334 0 40 EDAB C[C@H](NC(=O)NCc1cccc(OCCN(C)C)c1)c1nncn1C 45813365 VESXUMUCBXKYBJ-ZDUSSCGKSA-N 346.435 1.316 0 40 EDAB CC(=O)N1CCC(NC(=O)CN[C@H](C)[C@@H](C)c2ccccc2)CC1 97234896 WHLYBNRQMHOZHD-HUUCEWRRSA-N 331.460 1.895 0 40 EDAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1nc2ccccn2c1=O 47002731 WTLVIZIRZRAISF-KGLIPLIRSA-N 332.404 1.208 0 40 EDAB COc1ccc(NC(=O)N[C@@H]2CCCc3c2cnn3CCO)cn1 47125405 UIEYJLIXHACKEC-CYBMUJFWSA-N 331.376 1.478 0 40 EDAB Cc1cnc(CN2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)o1 97373812 XEMFIXYGOZDSRQ-MRXNPFEDSA-N 348.834 1.981 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C12CCCC2 72535896 CPTHIIRPHLSZLO-KBPBESRZSA-N 333.432 1.865 0 40 EDAB NC(=O)CN1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 48272668 HZSUEDMAUZHTLL-UHFFFAOYSA-N 345.374 1.765 0 40 EDAB CCOc1ccc([C@@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 48286686 AODVDHXWRPKBPV-YPMHNXCESA-N 326.418 1.633 0 40 EDAB Cc1cc(CC(=O)NCc2cc(F)ccc2N2CCN(C)CC2)no1 95397163 DYQMYSSDKSDFHX-UHFFFAOYSA-N 346.406 1.733 0 40 EDAB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 110619353 UKBHLDLPLUCJEQ-OQIJWPOYSA-N 343.471 1.881 0 40 EDAB NC(=O)Cn1cc(NC(=O)c2ccc(Br)cc2O)cn1 49448341 LFILNXINVFPNTA-UHFFFAOYSA-N 339.149 1.089 0 40 EDAB COCCn1c(S[C@H](C)C(=O)N2CCNC2=O)nc2ccccc21 9319428 MGYSAYQGQYJGNE-LLVKDONJSA-N 348.428 1.715 0 40 EDAB C[C@@H](OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C(N)=O 6028329 KTTQNSALIYMOAF-GFCCVEGCSA-N 326.352 1.500 0 40 EDAB O=C(O)CCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 13736213 JSKZKDOWNQOBRV-UHFFFAOYSA-N 329.356 1.317 0 40 EDAB COc1ccc(-n2cnnc2SCC(=O)NC[C@@H]2CCCO2)cc1 9368506 DQKSBECVYJCKPK-AWEZNQCLSA-N 348.428 1.663 0 40 EDAB Cc1cc(CN2CCCN(c3ncnc4c3CN(C)CC4)CC2)no1 65487661 LSNNWTJFCBFJMI-UHFFFAOYSA-N 342.447 1.473 0 40 EDAB Cn1c(=O)c(Cn2cnc3cc(F)ccc3c2=O)nc2ccccc21 65479684 IIFQZHXHUQXKFI-UHFFFAOYSA-N 336.326 1.831 0 40 EDAB COc1ccnc(NCCC(=O)N2CCN(c3ccccn3)CC2)n1 65565056 AIYMDDUCYQQMLN-UHFFFAOYSA-N 342.403 1.031 0 40 EDAB COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1 65517129 ODCWJOLXWKZVLH-CABCVRRESA-N 349.431 1.111 0 40 EDAB Cc1c(CC(=O)NCc2ccncc2)c(=O)oc2cc(O)cc(O)c12 5350339 RWUBKGACVXFRJI-UHFFFAOYSA-N 340.335 1.767 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 14135497 IGKZVZJHIFBXDC-SFHVURJKSA-N 341.367 1.671 0 40 EDAB Cc1cccc(CC(=O)N2CCN(C(=O)Cc3ccccn3)CC2)c1 71799486 WCTUZIKFPVKUBS-UHFFFAOYSA-N 337.423 1.846 0 40 EDAB CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)CC(=O)NC(N)=O 66422737 FOPRZXHWRONLCQ-UHFFFAOYSA-N 347.394 1.286 0 40 EDAB O=C(CC1CCOCC1)NCC1CCN(C(=O)C(F)(F)F)CC1 96444822 WAWNGZBBRJYWLJ-UHFFFAOYSA-N 336.354 1.720 0 40 EDAB CN(CC(=O)NCC1(Cc2ccccc2)CCCC1)S(C)(=O)=O 96497163 NWCAMXIIQWDANP-UHFFFAOYSA-N 338.473 1.797 0 40 EDAB CN(C)c1nc(N)nc(Cn2cc(-c3ccccc3)sc2=O)n1 95406514 RJDKSHFZOMZRKE-UHFFFAOYSA-N 328.401 1.458 0 40 EDAB COc1ccc(-c2noc(CCC(=O)NC[C@H]3CCCO3)n2)cc1 4933103 CUHSXMHQYOFNPB-CQSZACIVSA-N 331.372 1.973 0 40 EDAB Cc1cccn2cc(CC(=O)N3CCn4c(nnc4C(C)C)C3)nc12 71864938 QRSGADHPIUBIDI-UHFFFAOYSA-N 338.415 1.943 0 40 EDAB Cc1ccc(Cn2cccc(NC(=O)c3nccnc3N)c2=O)cc1 95436451 VNRLLTXUADVQKI-UHFFFAOYSA-N 335.367 1.830 0 40 EDAB COC[C@@H](C)N1CCN(S(=O)(=O)c2cc(C)ccc2F)CC1 71921594 KGLDUQRKUYONOO-CYBMUJFWSA-N 330.425 1.475 0 40 EDAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)NC(N)=O 7860886 CHOTYOQGXMCFBI-QMMMGPOBSA-N 332.385 1.407 0 40 EDAB Cc1nc2ccccc2n1CCNC(=O)CNC(=O)c1ccccc1 8134422 WUBURMAUMRVJMF-UHFFFAOYSA-N 336.395 1.891 0 40 EDAB CC(C)NC1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 69215849 CUMDVWTZACKXCF-UHFFFAOYSA-N 347.463 1.913 0 40 EDAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@@](C)(O)c1ccco1 81836327 XWPNOSOGCMNSRH-QFBILLFUSA-N 342.395 1.577 0 40 EDAB CCCNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408705118 YKGUVYRECVSINN-NSHDSACASA-N 342.417 1.139 0 40 EDAB CCNC(=O)NC(=O)[C@H](C)N1CCC(Nc2cccc(C)n2)CC1 70019685 SBLSKSFPKOJTKC-ZDUSSCGKSA-N 333.436 1.501 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3F)c2)CC1 70039979 WZEMPDZXTXVHDO-ZDUSSCGKSA-N 332.379 1.150 0 40 EDAB C[C@]1(c2ccco2)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O 8327083 VGGLLEMVYOGMHQ-OAHLLOKOSA-N 344.352 1.316 0 40 EDAB C[C@@H]1CCCCN1c1cc(C(=O)NCCS(C)(=O)=O)ccn1 69463382 DRGSKBYVADEFDD-GFCCVEGCSA-N 325.434 1.235 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)c3cc4c(cc3O)OCO4)cc12 69663558 SQAWRGVOQRSLDJ-UHFFFAOYSA-N 326.312 1.963 0 40 EDAB CN(CC1CC1)C(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1 69628373 BSAMDDWIDXIZHH-SFHVURJKSA-N 331.460 1.206 0 40 EDAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](Cn2cncn2)C1 69737485 PLRBHWLKJYPYBG-HOTGVXAUSA-N 339.443 1.968 0 40 EDAB Cc1cnn(CCCNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)c1 69812609 JYFDEWQCMDRLFN-ZDUSSCGKSA-N 338.477 1.645 0 40 EDAB C[C@@H](NC(=O)CN[C@H]1CCCN(c2cccnn2)C1)c1cccs1 69929977 CSSKLDKAZBPMKN-KGLIPLIRSA-N 345.472 1.974 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCO1 9853958 IWHXWHOMTSORGC-CYBMUJFWSA-N 338.429 1.332 0 40 EDAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCC[C@H](C(N)=O)C2)o1 84195254 ONAWWTWQBSPUKW-STQMWFEESA-N 341.433 1.167 0 40 EDAB O=C(C[C@@H]1CCCN1c1ccc2nnnn2n1)c1ccc(F)cc1 97049867 XIJYQEKZDZOQOH-ZDUSSCGKSA-N 326.335 1.900 0 40 EDAB CC[C@@H]1CN(C(=O)NCCCCN2CCN(CC)CC2)C[C@@H](C)O1 72277825 YYPYAVPLUBXZPL-IAGOWNOFSA-N 340.512 1.613 0 40 EDAB C[C@@H]1CN(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CCO1 72277885 BHGWXOFILRLVJN-GFCCVEGCSA-N 341.433 1.013 0 40 EDAB O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CC(=O)c2ccccc21 95467874 CWNKGUHLCPULFV-OAHLLOKOSA-N 333.347 1.840 0 40 EDAB Cc1nncn1CCNC(=O)c1cn(-c2cccc(Cl)c2F)nn1 95990192 VJQAMGKWJKVAOE-UHFFFAOYSA-N 349.757 1.390 0 40 EDAB Cc1cc(C)nc(N2CCC[C@H](CNS(=O)(=O)C(C)C)C2)n1 95975919 FAMPXTLEGYHWRF-CQSZACIVSA-N 326.466 1.638 0 40 EDAB CCS(=O)(=O)CC(=O)N1CCC[C@H]1c1c(C)nn(C)c1Cl 89272292 GBLCNIYAXVZLBP-JTQLQIEISA-N 333.841 1.480 0 40 EDAB C[C@H]1C(=O)N(CC(=O)NCc2ccco2)C(=O)N1c1ccc(F)cc1 9908728 KUQBONXJWXLABL-NSHDSACASA-N 345.330 1.892 0 40 EDAB Cc1[nH]ncc1C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 89544417 VGYFBKSZJMOFTF-MRXNPFEDSA-N 328.416 1.391 0 40 EDAB Cc1ccc([C@H](CNC(=O)N2CCOC[C@@H]2C)N2CCOCC2)o1 89652511 AGABZWFNQDUPQB-ZFWWWQNUSA-N 337.420 1.392 0 40 EDAB CC(C)OC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 23078326 AIUGGXUJAGPCNB-UHFFFAOYSA-N 344.458 1.910 0 40 EDAB C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCC(=O)N3)cc2)C[C@@H](C)O1 75864107 CXIHZAZYKIBPGV-CPUCHLNUSA-N 345.443 1.191 0 40 EDAB C[C@](O)(CNC(=O)Nc1ccc(F)cc1Cl)CN1CCOCC1 76023371 RDVWXKQHHWJULD-HNNXBMFYSA-N 345.802 1.684 0 40 EDAB CCOC(=O)C1=C(CN(C)[C@@H](C)c2ccccc2OC)NC(=O)NC1 26333795 FNBXWJGZVSEGGT-LBPRGKRZSA-N 347.415 1.818 0 40 EDAB C[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)NC(=O)NCC(F)(F)F 186268921 XHDAWPWVWFDKSP-MRVPVSSYSA-N 335.330 1.827 0 40 EDAB Cc1ccc(NC(=O)c2csc(O)n2)cc1C(=O)N1CCOCC1 519737055 XKJZDJGGJCTNCF-UHFFFAOYSA-N 347.396 1.882 0 40 EDAB O=C(c1cnn2c(=O)cc[nH]c12)N1CCC[C@@H](Nc2ccccc2)C1 550201254 NZYMVFDIXNVBNC-CQSZACIVSA-N 337.383 1.739 0 40 EDAB COC(=O)c1ccc2nc(NC(=O)CCn3cnnn3)sc2c1 524733076 RAGHDUAJMGYVCR-UHFFFAOYSA-N 332.345 1.098 0 40 EDAB COc1ccc2[nH]cc(CCNC(=O)c3nccnc3C(=O)O)c2c1 32124075 GIQKQDJCWNYPNM-UHFFFAOYSA-N 340.339 1.637 0 40 EDAB biogenic CC(C)c1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)[nH]n1 189678213 DHRPIZYGWQYZEC-KBPBESRZSA-N 346.431 1.913 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1n[nH]c(CC(C)C)n1 79501731 MFBGKGLJZWEBGN-UHFFFAOYSA-N 342.407 1.629 0 40 EDAB COc1ccnc(N2CCN([C@@H](C(=O)O)c3ccccc3)CC2)n1 563632837 ZYIHFADKPCUIHC-OAHLLOKOSA-N 328.372 1.433 0 40 EDAB COc1ccccc1NC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1 85470909 FBMWQUUIFQBCSQ-UHFFFAOYSA-N 342.399 1.644 0 40 EDAB CNC(=S)Nc1nc(N2CCCCC2)cc(N2CCOCC2)n1 225878370 UKRRZOOGMOCTRE-UHFFFAOYSA-N 336.465 1.220 0 40 EDAB CCc1cccc(N2C[C@H](C(=O)NCCNC(=O)C3CC3)CC2=O)c1 44376103 ZVKYTSWZJMFGTQ-OAHLLOKOSA-N 343.427 1.244 0 40 EDAB Cn1nncc1CN1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 225397674 FBJFURLKHPKCCB-UHFFFAOYSA-N 347.444 1.162 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)NCC[C@@H](O)c1ccco1 77112283 LUENRILFRFAPDU-CYBMUJFWSA-N 332.356 1.775 0 40 EDAB Cc1cc(NC(=O)Nc2cc(-c3cnn(C)c3)nn2C)nn1C(C)C 575603585 GYTRHPYNKWHFJL-UHFFFAOYSA-N 342.407 2.550 0 40 EDAB COc1cc(C(=O)O)ccc1S(=O)(=O)N1CCOC2(CCC2)C1 572636959 IWSPGHHPUQZUGA-UHFFFAOYSA-N 341.385 1.337 0 40 EDAB CC(=O)NC(C)(C)c1noc(-c2c(C)nn(C)c2-n2cccn2)n1 193205562 JDOGBESJVNIKAB-UHFFFAOYSA-N 329.364 1.335 0 40 EDAB COCCN1CC2(CCN(c3nnc(C)s3)CC2)C[C@H]1COC 96209704 MORNYWWWCYFFMA-AWEZNQCLSA-N 340.493 1.800 0 40 EDAB OCCn1ncc2c(N3CCO[C@@H](c4ccc(F)cc4)C3)ncnc21 97200318 GQCMZEQYFMWNBG-OAHLLOKOSA-N 343.362 1.536 0 40 EDAB Cc1ccc(CN2C[C@@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)o1 96185930 PSKMEWLVWXQQTJ-BZUAXINKSA-N 344.415 1.483 0 40 EDAB CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)Cc3ccsc3)C2)O1 96063342 UCZOLNZMKRZQIS-RDJZCZTQSA-N 338.473 1.629 0 40 EDAB CCn1cc(N2C[C@H](C(=O)Nc3ccc(OC)cc3)CC2=O)cn1 96101469 XEGGWHZVMHZWKM-GFCCVEGCSA-N 328.372 1.903 0 40 EDAB CC(=O)N(C)c1ccc(S(=O)(=O)N2C[C@H](CO)CC[C@@H]2C)cc1 95454442 YHRDWOOXKIJSCA-GXTWGEPZSA-N 340.445 1.451 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2cccnc2)Cc2cncn2C1 96218716 QZEUZNVCZYIPII-MRXNPFEDSA-N 343.431 1.015 0 40 EDAB O=C(C1CC1)N1CCOC[C@H]1c1nccc(Nc2ccccn2)n1 96217844 JAXUQWMTURKKTI-ZDUSSCGKSA-N 325.372 1.925 0 40 EDAB CCCS(=O)(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F 96496905 MPPFAOLJFIVXBE-UHFFFAOYSA-N 325.369 1.831 0 40 EDAB Cc1c(C(=O)OC[C@H]2CC(=O)N(Cc3ccccc3)C2)cnn1C 96442649 BDNQIGUIVCGFJY-HNNXBMFYSA-N 327.384 1.934 0 40 EDAB Cc1cc(-c2nnc3sc(-c4c(C)nn(C)c4C)nn23)n(C)n1 95475890 SNDWGCFFQDSAHF-UHFFFAOYSA-N 328.405 1.912 0 40 EDAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21)c1ccco1 96059792 JABLYBCBPHYUHW-INIZCTEOSA-N 338.367 1.963 0 40 EDAB Cc1occc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CCN1CCCC1 96186297 KTNDCKFBIONLRV-IRXDYDNUSA-N 345.443 1.889 0 40 EDAB CC(C)Nc1nc2c(c(N(C)C)n1)CN(C(=O)c1ccnnc1)CC2 96254045 HTPISMAIYYFXPS-UHFFFAOYSA-N 341.419 1.351 0 40 EDAB Cn1cccc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 96403808 IKCLSRTZVDXJTH-IJEWVQPXSA-N 327.428 1.958 0 40 EDAB Cn1cc(N2C[C@]3(CCN(C(=O)c4cccnc4)C3)CC2=O)cn1 96239308 URPYCQILCLNHAW-QGZVFWFLSA-N 325.372 1.084 0 40 EDAB Cc1cccc(C)c1C(=O)N1CCN(CCn2ccccc2=O)CC1 585087445 MCSOUQFWQYOMCV-UHFFFAOYSA-N 339.439 1.923 0 40 EDAB CC(C)c1nc2cc(NC(=O)CCc3n[nH]c(=O)[nH]c3=O)ccc2[nH]1 95477420 TVXQKHSAXVUYTR-UHFFFAOYSA-N 342.359 1.029 0 40 EDAB COC[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)CCO1 245339039 QDVPJOTVDOJNIF-CORIIIEPSA-N 326.343 1.878 0 40 EDAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(N)C(=O)O)cc1 242543535 KEDYNGYMYLNWCZ-VYDXJSESSA-N 347.392 1.417 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)c2[nH]c3ccc(F)cc3c2C)CC[C@@H]1O 257205650 AZZSNHZWQDPESV-HOTGVXAUSA-N 347.390 1.717 0 40 EDAB CO[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)CC[C@@]12CCCO2 257226112 FJEQDCSCWQAZBV-GJZGRUSLSA-N 329.393 1.784 0 40 EDAB O=C(NCCCc1ccccc1)N1CCN(C[C@@H](O)C2CC2)CC1 85466821 TULRLXWRUORDSQ-GOSISDBHSA-N 331.460 1.717 0 40 EDAB CC(C)N1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@@H]1C(N)=O 257249579 JIZBUFABMINMCH-MRXNPFEDSA-N 328.416 1.117 0 40 EDAB Cc1noc(-c2cn(CCNC(=O)c3ccc4[nH]ccc4c3)nn2)n1 252489862 KCVSCWIMHPYXCT-UHFFFAOYSA-N 337.343 1.548 0 40 EDAB CCc1nccn1CCC(=O)N1CCO[C@H](c2nccnc2NC)C1 257312542 UOLGGFDNVCRZBI-ZDUSSCGKSA-N 344.419 1.267 0 40 EDAB O=C(Cc1cccc(O)c1)N1CCC[C@](O)(CN2CCOCC2)CC1 257322508 WGGCQPUXHMXHOA-LJQANCHMSA-N 348.443 1.011 0 40 EDAB Cc1ccnc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257239684 HQISGWIVQXVUJO-CQSZACIVSA-N 327.388 1.601 0 40 EDAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1ccnc(N(C)C)c1 257295021 QWPWUEKAFFNILG-AWEZNQCLSA-N 326.466 1.871 0 40 EDAB CCN1C(=O)CC[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(OC)cc1 257243608 IHUDMMJVJBBFOC-AEFFLSMTSA-N 346.427 1.854 0 40 EDAB O=C(O)c1csc(CCNC(=O)c2cc3c(nc2O)CCCC3)n1 262864014 AOUXACGDINQNBB-UHFFFAOYSA-N 347.396 1.793 0 40 EDAB CCO[C@@H]1C[C@@H](NC(=O)c2cncc(N3CCCC3)n2)[C@@H]1SC 601649375 OJUYZFONWMLVKT-KYOSRNDESA-N 336.461 1.716 0 40 EDAB CC(C)CS(=O)(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 96121962 ZOIWKXSNFACQSK-UHFFFAOYSA-N 325.386 1.311 0 40 EDAB Cc1cccc(O[C@@H]2CCC[C@H](CNC(=O)Cn3cncn3)[C@H]2O)c1 585285589 FLBPGTUPTIFTGX-QGPMSJSTSA-N 344.415 1.311 0 40 EDAB CC(C)CN1C[C@@H]2[C@H](C1)C(=O)NC21CCN(c2cnccn2)CC1 585106231 XVCDTTUTHQCDPO-LSDHHAIUSA-N 329.448 1.149 0 40 EDAB COc1ncccc1C(=O)N1CC(F)(F)C[C@@]2(CCN(C)C2=O)C1 585093283 NFINQGBRHCSALN-HNNXBMFYSA-N 339.342 1.420 0 40 EDAB O=C(c1cnns1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 47609126 JQRWMJSIJDUVHQ-UHFFFAOYSA-N 332.385 1.225 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 49030461 VYYFESFUBWJWPD-UHFFFAOYSA-N 348.447 1.684 0 40 EDAB O=C(CNc1ccc2nnc(C(F)(F)F)n2n1)N1CCCCC1 52129148 VEDNGLMUVJCZMS-UHFFFAOYSA-N 328.298 1.568 0 40 EDAB COc1ccc(CNC(=O)N2CCCN([C@H]3CCOC3)CC2)cc1 1565521983 ACIRMISKEPQFKQ-INIZCTEOSA-N 333.432 1.701 0 40 EDAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cc(C)nn3CC)CCO2)n1 76045967 OWJZDKIUWBGKBW-CYBMUJFWSA-N 332.408 1.496 0 40 EDAB CC(C)N(CCNC(=O)NCc1nnc2n1CCCCC2)C1CC1 76997719 QGMUBSCXFHAGGE-UHFFFAOYSA-N 334.468 1.677 0 40 EDAB C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccc(F)c1 40501145 HMUTUMGFJQYEIM-LLVKDONJSA-N 343.424 1.610 0 40 EDAB Cc1ccc(C)c2c(C)c(C(=O)NCCN3C(=O)CNC3=O)oc12 78693141 BFEXEZATZXXNFF-UHFFFAOYSA-N 329.356 1.640 0 40 EDAB CO[C@@H]1CCC[C@@H](NC(=O)c2nc(C)n(-c3ccccc3)n2)[C@H]1O 1615074957 AMLCLSCBGAHIEK-RBSFLKMASA-N 330.388 1.234 0 40 EDAB Cc1ccccc1C(=O)N[C@H](C(=O)O[C@@H](C)C(=O)NC1CC1)C(C)C 5233724 WVXRNKDQHOBOBQ-BBRMVZONSA-N 346.427 1.960 0 40 EDAB C[C@H](NC(=O)c1cccs1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 5919377 VBTWNIRYJQZFTR-WCQYABFASA-N 346.408 1.679 0 40 EDAB CS(=O)(=O)c1cccnc1[C@H]1CCCN(C(=O)c2ccncc2)C1 12132585 PSCSKDPXKCCFEJ-AWEZNQCLSA-N 345.424 1.900 0 40 EDAB CCN(CC)C(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O 12182407 WQNHJSHEKZVQAU-UHFFFAOYSA-N 339.399 1.790 0 40 EDAB CCCCCNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC 16638472 RDQRQNJXTIRMDP-UHFFFAOYSA-N 342.461 1.931 0 40 EDAB O=C(O)CS[C@@H]1CC(=O)N(c2ccccc2Br)C1=O 16899973 YSSWZEWUJORZSK-SECBINFHSA-N 344.186 1.899 0 40 EDAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)C3CCC3)C[C@H]1CC2 19021919 CGSOQTUVHFVUQJ-ZBFHGGJFSA-N 330.432 1.308 0 40 EDAB CO[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1ccccc1Cl 153800750 KKYMNZPSKNVYOO-ZDUSSCGKSA-N 329.809 1.740 0 40 EDAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 225627295 ZAAQQPTUPPHLOW-HNNXBMFYSA-N 342.436 1.354 0 40 EDAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1ccccc1)C2=O 2642624 NAJOZKQODGBPGW-AUUYWEPGSA-N 343.427 1.846 0 40 EDAB Cc1nnc(N2CC(NC(=O)c3cccc4c3OCCO4)C2)s1 1888853233 YFXSXRXAOFTLGI-UHFFFAOYSA-N 332.385 1.236 0 40 EDAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cnc[nH]5)C[C@@H]4C3)n1)CCC2 1888867063 JIQMDNYGYCWXGF-STQMWFEESA-N 338.415 1.205 0 40 EDAB CCOc1ccc2nnc(CNC(=O)c3n[nH]c4ccccc34)n2n1 244933157 CEFHKDLZTJHERI-UHFFFAOYSA-N 337.343 1.329 0 40 EDAB CC(=O)N[C@]12CN[C@H](c3ccccc3)[C@H]1CCN(C(=O)C(C)C)C2 2037784282 UPGKDHOXPVIPFT-LMMKCTJWSA-N 329.444 1.710 0 40 EDAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc(C(C)=O)cc1 4785404 INBZNHZYVPGYPY-CYBMUJFWSA-N 330.340 1.411 0 40 EDAB O=C(N[C@H]1CCc2onc(C(=O)NCC3CC3)c2C1)c1cocn1 2055739006 GVEOLQZHZVQTQH-JTQLQIEISA-N 330.344 1.090 0 40 EDAB COc1cc(C(=O)N2CCC3(CC2)C[C@@H](N2CCCC2)CO3)on1 2055835519 QBJZUYCTAGDCKF-CYBMUJFWSA-N 335.404 1.543 0 40 EDAB O[C@H]1CCCC[C@@H]1N1CCN(c2ccnc(N3CCCC3)n2)CC1 2298178387 NUJRISJAOLRILQ-HOTGVXAUSA-N 331.464 1.502 0 40 EDAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)O)CC1)NC2=O 12086502 PFTHLOGLPAYYQO-GTNSWQLSSA-N 331.372 1.332 0 40 EDAB Cc1ccccc1-n1ncc2c(N3CCC(C(N)=O)CC3)ncnc21 15880891 QNIJQDWWRANLEZ-UHFFFAOYSA-N 336.399 1.826 0 40 EDAB COc1ccc(CC(=O)N2CCN(C[C@H](O)c3ccco3)CC2)cc1 85436757 BYYZFTMNSRCBBI-KRWDZBQOSA-N 344.411 1.709 0 40 EDAB O=C(CNC(=O)c1ccc2ccccc2c1)NCCCn1cccn1 30169455 WPDLLXMCSRYWOF-UHFFFAOYSA-N 336.395 1.973 0 40 EDAB COc1ccc(OC)c([C@H](O)CNC(=O)c2ccc3c(c2)OCO3)c1 31338942 XFCVMSBCLMLQFS-CQSZACIVSA-N 345.351 1.896 0 40 EDAB COc1cccc(CNC(=O)CSc2nnc(N)n2C2CC2)c1 31453876 MMLHHIHTMJXXJK-UHFFFAOYSA-N 333.417 1.612 0 40 EDAB CN(C)c1cc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)ccn1 40512557 UJVJBDWYSPUCHG-UHFFFAOYSA-N 326.356 1.409 0 40 EDAB Cn1cc(S(=O)(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cn1 40539686 IJAGJGHYOQTKFE-OAHLLOKOSA-N 348.428 1.062 0 40 EDAB COC[C@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 32674228 WXMAXWQEWWDWBU-FZMZJTMJSA-N 344.408 1.130 0 40 EDAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 32764358 DDHYQNDLXWRCPI-CYBMUJFWSA-N 341.367 1.869 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)N(CCC(N)=O)c2ccccc2)cc1 32843475 NUKKJTLKGZUBSA-UHFFFAOYSA-N 346.408 1.612 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1cccnc1-n1cccn1 41626848 ATSSBOJSIOSWDO-UHFFFAOYSA-N 333.373 1.351 0 40 EDAB CC(C)n1nccc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 22288515 OPCCPQUPZRVXKI-SJCJKPOMSA-N 347.419 1.903 0 40 EDAB C[C@@H](C(=O)OCC(=O)c1ccc[nH]1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 103463818 UIXVGHIVZJNWAZ-SRVKXCTJSA-N 332.356 1.304 0 40 EDAB C[C@@H]1[C@@H](NC(=O)NC(=O)COC(=O)c2ccc[n+]([O-])c2)CCC[C@H]1C 103909404 CGQGCISCVMPVHV-DYEKYZERSA-N 349.387 1.127 0 40 EDAB CCN(C[C@H]1COc2ccccc2O1)C(=O)NCCN1CCOCC1 53955109 LMZRBHRHEMKHCH-HNNXBMFYSA-N 349.431 1.190 0 40 EDAB Cc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)OCO3)s1 42317678 KOCJQHDDJOEFHQ-UHFFFAOYSA-N 325.367 1.904 0 40 EDAB O=C(NCc1nnc2n1CCCC2)NC[C@@H]1COc2ccccc2O1 43077107 KJFUNCCAQJQLNV-GFCCVEGCSA-N 343.387 1.254 0 40 EDAB Cn1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)n1 24628147 XAQGPXNROXVXRD-JTQLQIEISA-N 328.328 1.140 0 40 EDAB CC(C)NC(=O)CCCC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 77140027 KAGCKERMKVJLFH-CHWSQXEVSA-N 332.466 1.153 0 40 EDAB CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2C)cc1C 1357404 RBMUIUOYVYIUGI-UHFFFAOYSA-N 334.405 1.598 0 40 EDAB C[C@H](C(=O)NCCN1CCS(=O)(=O)CC1)c1cccc(Cl)c1 78878130 ONDMWSRJZATGLT-LBPRGKRZSA-N 344.864 1.290 0 40 EDAB COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1cnn(C)c1 25047343 RPHVMMLZWINLEZ-UHFFFAOYSA-N 325.372 1.887 0 40 EDAB O=C(CCn1c(=O)sc2ccccc21)NCCCn1ccnc1 4004931 GLVGTQSJDIPCJL-UHFFFAOYSA-N 330.413 1.856 0 40 EDAB C[C@@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1cccnc1 43786694 XSWLTGFYHMSTJE-HIFRSBDPSA-N 326.404 1.901 0 40 EDAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c1 7939660 ZMPSECGMNSDFCQ-YBSJNODJSA-N 343.379 1.983 0 40 EDAB CC(=O)N1CCC[C@H](C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)C1 57348404 ASSQXJCYSRROCY-DLBZAZTESA-N 343.427 1.335 0 40 EDAB CCCn1nc(S(=O)(=O)N2CCCC2)c(C(=O)OCC)c1C 57478192 NSWSGKRWYKNMRW-UHFFFAOYSA-N 329.422 1.563 0 40 EDAB NC(=O)N1CCC[C@@H](Nc2nc(-c3cccnc3)nc3c2CCC3)C1 96011316 NPIKDSALIYSFAB-CYBMUJFWSA-N 338.415 1.982 0 40 EDAB OCCn1nccc1C1CCN(C[C@H](O)COc2ccccc2)CC1 58290002 VCUMHQQHVGZCTQ-KRWDZBQOSA-N 345.443 1.495 0 40 EDAB O=C(CN1CCOCC1)NC1(c2ccc3c(c2)OCCO3)CCCC1 27342156 DUGUGYLHEBSQCJ-UHFFFAOYSA-N 346.427 1.676 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)N1 58017426 GMNMUOGNAZZGGA-UHFFFAOYSA-N 343.717 1.432 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)N1CCCC1 58180346 UMTUMPSDQCCYKU-SECBINFHSA-N 334.800 1.768 0 40 EDAB Cn1cc(CCNC(=O)COc2ccccc2Br)cn1 95449087 OJSXGRYPTOFCFM-UHFFFAOYSA-N 338.205 1.920 0 40 EDAB O=C(Cn1c(-c2ccccn2)noc1=O)NCc1ccccc1F 58289374 OYYKGMZRMGGURK-UHFFFAOYSA-N 328.303 1.354 0 40 EDAB Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCC[C@@H](C)C2)cn1C 58263941 UJOWXDRVLAWWHP-YPMHNXCESA-N 342.465 1.092 0 40 EDAB Cn1cc(C(=O)NCC2CCN(C(=O)Nc3nccs3)CC2)cn1 58294336 GOBCHXMJUWYNJM-UHFFFAOYSA-N 348.432 1.551 0 40 EDAB CC(C)CS(=O)(=O)CC(=O)NC[C@H](C)N1CCc2ccccc21 44952209 SVMPWLATCDBQEI-AWEZNQCLSA-N 338.473 1.625 0 40 EDAB COc1ccccc1CS(=O)(=O)[C@H](C)C(=O)NC[C@@H]1CCCO1 44938504 PZNQTCHAXCJFJL-OCCSQVGLSA-N 341.429 1.294 0 40 EDAB Cc1nc(C(C)(C)C)sc1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O 72290650 KYGXOZHFPVLVIU-HNNXBMFYSA-N 336.417 1.173 0 40 EDAB CN(C)C(=O)C1(CNC(=O)N[C@H]2CCN(CC3CC3)C2)CCCC1 72283207 KKDVOMTZXKYUPE-HNNXBMFYSA-N 336.480 1.419 0 40 EDAB CN1CCN(C(=O)CSc2nnc(-c3ccccc3)n2C)CC1 57746166 QPVOIELMFPPJRH-UHFFFAOYSA-N 331.445 1.348 0 40 EDAB CC(=O)N1CCN(CC(=O)Nc2ccnn2Cc2cccs2)CC1 29596964 GIGHMVPQDDPWTJ-UHFFFAOYSA-N 347.444 1.096 0 40 EDAB CCOC(=O)N1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 29646340 GOWFEFONVCYLHA-AWEZNQCLSA-N 338.791 1.944 0 40 EDAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)cc1 29653696 QIPXOWWIKULXBZ-GFCCVEGCSA-N 349.818 1.197 0 40 EDAB Cc1cccc(-c2noc(CN3CCN(S(C)(=O)=O)CC3)n2)c1 29709824 NVCWDOPGZUFMFU-UHFFFAOYSA-N 336.417 1.122 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(CNC(=O)N(C)[C@H](C)CS(C)(=O)=O)o1 110586650 GGQCSAUXXBDNFF-NQBHXWOUSA-N 328.434 1.978 0 40 EDAB CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2cccs2)C1 3235583 JBLGVWPQYAUOLV-NSHDSACASA-N 325.386 1.707 0 40 EDAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N1CCC[C@@H](C)C1 48244332 QZBNQIYAICBMKQ-GFCCVEGCSA-N 326.400 1.941 0 40 EDAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 12770810 NENLUSHOVUUGHS-GFCCVEGCSA-N 336.417 1.238 0 40 EDAB COc1ccccc1CNC(=O)COC(=O)c1cc(F)ccc1N 3325285 PMTCNHSJHKIVNV-UHFFFAOYSA-N 332.331 1.890 0 40 EDAB COC(=O)CNC(=O)COC(=O)/C=C/c1nc2ccccc2s1 3375960 PXMVEZIYUGKNNC-VOTSOKGWSA-N 334.353 1.142 0 40 EDAB C[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)N1CCOCC1 12881787 JLJLYCQXUFFUME-NSHDSACASA-N 333.417 1.217 0 40 EDAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NC(=O)NC1CCCCC1 3430879 XEGXWYVGOCPKQD-UHFFFAOYSA-N 347.202 1.709 0 40 EDAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)[nH]c(=O)n(C)c1=O 3985233 NFKFPXUISXQNEK-HNNXBMFYSA-N 340.383 1.228 0 40 EDAB biogenic CN1C(=O)N(CC(=O)N2CCSCC2)C(=O)C12CCCCC2 49214333 BNQBXFWXRABRKO-UHFFFAOYSA-N 325.434 1.159 0 40 EDAB CN(C)C(=O)Cc1nc(CN2CCC[C@@H](c3ccn[nH]3)C2)cs1 72274136 AIBFKCGFBGGJRB-GFCCVEGCSA-N 333.461 1.877 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)on1 65449532 QWMIYFVPFXLSLF-UHFFFAOYSA-N 343.383 1.712 0 40 EDAB CC(C)CN1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC1 65549473 ONCKPBCYSOBYKM-UHFFFAOYSA-N 334.395 1.874 0 40 EDAB CCCNC(=O)CCC(=O)NCCNC(=O)c1ccccc1Cl 65537959 YRDVQSYKHWGPTD-UHFFFAOYSA-N 339.823 1.492 0 40 EDAB CNC(=O)c1ccc(NC(=O)COC(=O)c2cc(CO)oc2C)cc1 9365521 OVMZAUIGSOAINT-UHFFFAOYSA-N 346.339 1.235 0 40 EDAB CC(C)c1cc(=O)oc2cc(OCc3nc(N)nc(N)n3)ccc12 14135025 AEIBLZKTOUYVLI-UHFFFAOYSA-N 327.344 1.845 0 40 EDAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2=NCCS2)cc1 5446843 ZYXZENHNXRUYTC-UHFFFAOYSA-N 341.458 1.550 0 40 EDAB CCN(CC)C(=S)SCC(=O)NC(=O)NCc1ccco1 6560778 IISMHVSMGGWYBG-UHFFFAOYSA-N 329.447 1.965 0 40 EDAB O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccccc1-n1cnnn1 66798295 KBZLPBLZXLLHLM-UHFFFAOYSA-N 349.354 1.658 0 40 EDAB C[C@H](O)CNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 97177874 AKMCTQWIVFBQQF-LBPRGKRZSA-N 328.347 1.913 0 40 EDAB O=C(COC(=O)C1=COCCO1)Nc1ccccc1OC(F)F 4871212 MMJSOBGZHVJIQJ-UHFFFAOYSA-N 329.255 1.658 0 40 EDAB Cc1cc(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)n(C)n1 96405506 CNRSMVRKNLBEHZ-KRWDZBQOSA-N 342.443 1.402 0 40 EDAB O=C1C[C@H](N2CCN(c3ccccc3Cl)CC2)C(=O)N1C1CC1 22685413 FWSHRSQUIXGNJX-HNNXBMFYSA-N 333.819 1.752 0 40 EDAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)N(C)C)C2=O)cc1 7411267 XDZAXWNDZVSSGW-KRWDZBQOSA-N 333.388 1.027 0 40 EDAB COc1cc2c(cc1OC)CN(CC(=O)Nc1cc(C)on1)CC2 7652170 BCXWRJHDBLATFU-UHFFFAOYSA-N 331.372 1.997 0 40 EDAB CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)COC)ccc1OCC 408700448 GEJMUHHBTWKVAZ-LLVKDONJSA-N 344.433 1.148 0 40 EDAB Cc1cc(O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 16222799 SKNBYDQBTHNQLC-MNOVXSKESA-N 331.821 1.719 0 40 EDAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCCc2cc(C(=O)O)ccc21 71837520 RXQCLOSKRWVSBR-UHFFFAOYSA-N 335.385 1.866 0 40 EDAB C[C@H](C(=O)NC1CCCCC1)[S@](=O)Cc1nnnn1C1CC1 71859163 FMHMHNVDCWHACM-STFLBKPXSA-N 325.438 1.094 0 40 EDAB C[C@H](O)c1ccc(CNCc2cnc(N3CCOCC3)nc2)cc1 71825330 KBOYUCTWWAUKPT-AWEZNQCLSA-N 328.416 1.656 0 40 EDAB O=S1(=O)CC[C@H](N(Cc2nccn2CC(F)(F)F)C2CC2)C1 71897147 FVBDTKDAMRXCGL-NSHDSACASA-N 337.367 1.597 0 40 EDAB C[C@@H]1CCCC[C@H]1OCCN1CCN(c2ccc3nncn3n2)CC1 71863676 UQEUUOYALZNUCI-HZPDHXFCSA-N 344.463 1.842 0 40 EDAB CN1CCN(C(=O)[C@H]2CCCN2c2ncnc3ccsc23)CC1 71826804 JBFNHZGQKRWNMA-CYBMUJFWSA-N 331.445 1.434 0 40 EDAB O=C(Nc1c[nH]ccc1=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 71889037 QWVVUUJOVUMYLS-CQSZACIVSA-N 325.368 1.866 0 40 EDAB CCC[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 8231499 HVMZBTRMNFTIQJ-KZULUSFZSA-N 347.415 1.767 0 40 EDAB Cc1ccc(N2CCC[C@H](NC[C@H](O)COc3ccccc3)C2)nn1 70016743 YYZQPLDAKKWHFQ-IRXDYDNUSA-N 342.443 1.783 0 40 EDAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc2c(c1)CCO2 69370085 DQWGCIOTJXQUQB-UGAXZCSASA-N 336.391 1.848 0 40 EDAB CC(C)c1noc([C@H](C)N2CCN(CCN3CCCC3=O)CC2)n1 69386556 XLZFPCFBXVWYLV-AWEZNQCLSA-N 335.452 1.494 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 72301151 ZUMJOGDPUGNYCL-CHWSQXEVSA-N 327.450 1.637 0 40 EDAB CC(=O)N1CCC(CN2CCN([C@H](C)c3nc(C)no3)CC2)CC1 69444428 ZILXPANKMFAEMI-CYBMUJFWSA-N 335.452 1.315 0 40 EDAB C[C@@H](C(=O)NCCC1=CCCCC1)N1CCO[C@H](Cn2cccn2)C1 69489276 QHWWEAVPISEETL-WMZOPIPTSA-N 346.475 1.979 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(O)cc1)CC1CC1 71913588 HTFWFVVOZZFTTI-CQSZACIVSA-N 338.429 1.501 0 40 EDAB NC(=O)[C@@H](CNC(=O)NCC(F)(F)F)Cc1ccccc1Cl 69697472 WPLDNAAEYGCORM-SECBINFHSA-N 337.729 1.846 0 40 EDAB Cn1ccnc1CCNC(=O)CSCc1nc2ccccc2[nH]1 69600838 SAIDGUXSRUSCIM-UHFFFAOYSA-N 329.429 1.889 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)N[C@H]2CCCS(=O)(=O)C2)c1C 69740858 IABAIDQQBUBTPM-AWEZNQCLSA-N 347.440 1.796 0 40 EDAB Cn1cc(C(=O)N2CCCN(Cc3ncc(Cl)n3C)CC2)cn1 69703833 SJLJIHYVCKDNDA-UHFFFAOYSA-N 336.827 1.155 0 40 EDAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@H](Cn2cncn2)C1 69843204 KZLPXCNXOBNVSS-HOCLYGCPSA-N 345.422 1.834 0 40 EDAB Cc1ccc(NC2CCN(C(=O)COCC(F)(F)F)CC2)nn1 69975885 MKMIYXLMXMCPOA-UHFFFAOYSA-N 332.326 1.767 0 40 EDAB COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H](CCO)CSC)C2 83970108 BOQIJUBZDLYICC-QWHCGFSZSA-N 325.430 1.477 0 40 EDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCc2ccncc2)cc1 408612843 ZFBQUDZPQLTMFK-GFCCVEGCSA-N 349.412 1.073 0 40 EDAB CC[C@H](NC(=O)N1CCCN(C(C)=O)CC1)c1c(C)nn(C)c1C 84733896 ZLDKFTHRTYXFJI-HNNXBMFYSA-N 335.452 1.752 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 97016165 PQYFTYVRYRIBNR-IUODEOHRSA-N 341.404 1.285 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3C3CCCCC3)C2=O)cn1 98014615 BXKKFYCEEMDHSD-PMPSAXMXSA-N 345.447 1.793 0 40 EDAB COC(=O)C[C@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1 89400739 QCLSQOWYNPQSSV-INIZCTEOSA-N 333.363 1.775 0 40 EDAB O=C(NCCOC1CCCCCC1)NCCc1nnc2n1CCC2 86400979 YEAQVHJZALZUJG-UHFFFAOYSA-N 335.452 1.805 0 40 EDAB O=C(Cn1ccnc1)NC[C@@H](O)COc1cccc(Cl)c1Cl 89768060 XUIWYCCURRSRJB-SNVBAGLBSA-N 344.198 1.746 0 40 EDAB CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 89922178 ISKCJEXOZRIWKE-MGPQQGTHSA-N 333.436 1.348 0 40 EDAB C[C@H](OCCCNC(=O)CN1CCN(C)C[C@@H]1C)c1ccccc1 89939007 FMGHLEHTRSFCRD-IRXDYDNUSA-N 333.476 1.906 0 40 EDAB Cc1nc([C@@H]2CCCN2C(=O)c2cccc(CS(C)(=O)=O)c2)no1 76043346 BXNSRLIKSPXYNQ-AWEZNQCLSA-N 349.412 1.900 0 40 EDAB CCCC(=O)N1CC2(C1)OCC[C@@H]2CCNC(=O)c1cccn1C 306135429 OQIUMWSEMPRBLM-AWEZNQCLSA-N 333.432 1.563 0 40 EDAB CN1CCN(c2nc(O)c3cnn(C)c3n2)[C@@H](Cc2ccccc2)C1 521396646 WAEXLPHPMGPPAH-AWEZNQCLSA-N 338.415 1.432 0 40 EDAB Cc1ncncc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1nonc1C 1021198984 YEKQCOMCWQEUNI-AGUYFDCRSA-N 342.403 1.402 0 40 EDAB Cc1noc(CCNC(=O)CC2(Cn3cnnn3)CCCCC2)n1 524734031 PGVZYZZEUOAOKK-UHFFFAOYSA-N 333.396 1.064 0 40 EDAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)cc1 71286717 WAYIXLJBQCMYAE-QWHCGFSZSA-N 341.367 1.946 0 40 EDAB CC(=O)N1CCO[C@H](c2cc(NCc3cc(C)no3)nc(C)n2)C1 72387097 FKJHGRNCLQGYEW-HNNXBMFYSA-N 331.376 1.613 0 40 EDAB C[C@H]1Oc2c(cccc2C(=O)N[C@@H]2CCCc3c2cnn3C)NC1=O 78498603 HJGCLDFEXPVUBF-ZWNOBZJWSA-N 340.383 1.947 0 40 EDAB Cc1nc([C@H]2CCN2Cc2cncn2C)cc(N2CCOCC2)n1 72387508 NIRZCVCQVJEGBV-MRXNPFEDSA-N 328.420 1.302 0 40 EDAB NCCSCC(=O)Nc1ccc(I)cc1 72261218 LCRAHUKZSJNKIG-UHFFFAOYSA-N 336.198 1.922 0 40 EDAB CC(=O)N1CCN(C(=O)CN(C)c2cc(-c3ccccc3)[nH]n2)CC1 72600587 QAETYBJJCAWYLY-UHFFFAOYSA-N 341.415 1.204 0 40 EDAB NC(=O)CN1CCC[C@H](Cc2cc(Nc3ccccn3)ncn2)C1 72383604 GGDCRNLSUXRDBA-CYBMUJFWSA-N 326.404 1.355 0 40 EDAB COCCc1nnc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)o1 75154668 MENOANUHOMSUFS-FNORWQNLSA-N 333.344 1.928 0 40 EDAB Cc1nc([C@H]2CN(Cc3cc(=O)n4ccsc4n3)CCO2)no1 329518514 PTDKNZXYOBBYRM-LLVKDONJSA-N 333.373 1.021 0 40 EDAB CC(C)NC(=O)[C@H]1CCCN(C(=O)COc2ccc3c(c2)OCO3)C1 223183617 UNHSPIQHPKXCMT-ZDUSSCGKSA-N 348.399 1.557 0 40 EDAB CN(c1nccc2c(O)ncnc12)[C@@H]1CCCN(c2cccnn2)C1 573020568 PIFDHYVGLXPORX-GFCCVEGCSA-N 337.387 1.626 0 40 EDAB O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CCN(CC1CCOCC1)C2 96038795 XASLUPBGFVVXHS-IEBWSBKVSA-N 348.443 1.803 0 40 EDAB CCc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccccn1 236972447 CSFGFSAZCJSIPL-UHFFFAOYSA-N 334.397 1.863 0 40 EDAB Cc1ccccc1O[C@@H](C)CNC(=O)NC[C@@H]1CN(C)CCN1C 96440107 IRRKYXKDCHQBRL-JKSUJKDBSA-N 334.464 1.307 0 40 EDAB CCS(=O)(=O)N1CC[C@@H](N(C)C(C)C)[C@@H]1Cc1cnn(C)c1 96200948 XNVSSWQRQFFUOQ-CABCVRRESA-N 328.482 1.095 0 40 EDAB COCCC(=O)N1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)CC1 96218066 QSLWLZCKLFUFIE-LJQANCHMSA-N 345.443 1.992 0 40 EDAB CN(C)C(=O)NCc1cc(=O)n2c(n1)CN(Cc1ccoc1)CCC2 96197608 IELZIVHTTYWGKC-UHFFFAOYSA-N 345.403 1.013 0 40 EDAB Cc1ccccc1-n1ncc2c(=O)n(CCCS(C)(=O)=O)cnc21 96422237 WNHFMYGUJQSFNL-UHFFFAOYSA-N 346.412 1.325 0 40 EDAB Cc1nc([C@H]2CCN(CC(=O)NCc3cccc(Cl)c3)C2)n[nH]1 578844286 UISRNIWKUDVRRY-ZDUSSCGKSA-N 333.823 1.872 0 40 EDAB CCCS(=O)(=O)N[C@@H]1CCN(C(=O)Cc2ccc(F)cc2F)C1 97227532 VNVGANINJVYHTP-CYBMUJFWSA-N 346.399 1.438 0 40 EDAB O=C(CC1CC1)N[C@@H]1CN(CC2CCOCC2)C[C@@H]2CCCO[C@@H]21 96057134 WIVKXRCVTMVLJK-SCTDSRPQSA-N 336.476 1.809 0 40 EDAB NS(=O)(=O)c1cccnc1NCc1cc(-c2ccccc2)on1 97104564 HROFRCKNPBDGLP-UHFFFAOYSA-N 330.369 1.996 0 40 EDAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCc2n[nH]c(=O)cc2C1 238882690 PNUDUWZQYDNLFI-MFKMUULPSA-N 347.802 1.864 0 40 EDAB Cn1ccnc1CN1CCc2nc(C(=O)N3CCCC3)sc2CC1 96187584 WPDRIGUFLNQRII-UHFFFAOYSA-N 345.472 1.713 0 40 EDAB CSc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)cn1 583615618 QQZRBUIJPUIRHJ-SNVBAGLBSA-N 345.428 1.091 0 40 EDAB COCc1ccccc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 583621027 MHMDNOHJGGLWBI-AEFFLSMTSA-N 339.395 1.930 0 40 EDAB O=S1(=O)C[C@@H](NCCOc2ccccc2F)[C@H](N2CCCC2)C1 96407669 DNINRZBROCGAMH-HUUCEWRRSA-N 342.436 1.056 0 40 EDAB Cc1noc(C)c1C(=O)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1 96217718 USTKWPPVECMARB-RDTXWAMCSA-N 347.415 1.678 0 40 EDAB COc1ccc(Cl)cc1NC(=O)N1C[C@H]2C[C@H]1CS2(=O)=O 585087287 SBCHEAIFPFWATK-VHSXEESVSA-N 330.793 1.752 0 40 EDAB CCCCN(C)c1ccc(C(=O)N(C)[C@H](C(=O)OC)[C@@H](C)O)cc1 585089919 NKWOXFHPVYDAJA-CJNGLKHVSA-N 336.432 1.917 0 40 EDAB C[C@H](C(=O)O)N(C(=O)C[C@H](c1nccn1C)C(F)(F)F)C1CC1 585134948 QCSIJKNSKJDZGW-PSASIEDQSA-N 333.310 1.920 0 40 EDAB CC[C@@H]1CCc2c(sc3nc(CS(=O)(=O)NC)nc(O)c23)C1 585137093 HXZUWYZXMCOMEY-MRVPVSSYSA-N 341.458 1.961 0 40 EDAB O=S(=O)(C1CC1)N1CC2(C1)OCC[C@H]2COCc1ccccn1 247302926 FOMHDIINCIBMAL-ZDUSSCGKSA-N 338.429 1.181 0 40 EDAB O=C(c1cnccn1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 247871683 QXKGRFYHRXTLNN-ZDUSSCGKSA-N 328.397 1.651 0 40 EDAB O=C(c1cocn1)N1CC2(C[C@H](OCC3CCOCC3)CCO2)C1 247871044 QTUYCDUPYRJIGO-CQSZACIVSA-N 336.388 1.491 0 40 EDAB COc1ccccc1[C@H]1Cn2ccnc2CN1C(=O)CNC(C)=O 257298360 RLIZTQYAZQPXPL-CQSZACIVSA-N 328.372 1.111 0 40 EDAB Cc1nc(-c2nccn2C)cc(C2CCN(S(C)(=O)=O)CC2)n1 257204547 AVCPKEWNASQSMS-UHFFFAOYSA-N 335.433 1.325 0 40 EDAB Cc1cc(C(=O)N2CC3(C[C@@H](Oc4nccc(C)n4)CCO3)C2)on1 253478235 JYHFPHXUQITPPH-ZDUSSCGKSA-N 344.371 1.534 0 40 EDAB Cc1ccc2nc(C(=O)N3CC[C@@](O)(CN4CCCC4)C3)cn2c1 257326138 WVZKHTFGPVDEHV-GOSISDBHSA-N 328.416 1.316 0 40 EDAB CNC(=O)c1cnn2c(C3CCN(c4ccncn4)CC3)ccnc12 257276652 NUPUWCQPVWKWHX-UHFFFAOYSA-N 337.387 1.263 0 40 EDAB Cc1cc([C@H](O)CCNC(=O)C(=O)NCc2cccs2)c(C)o1 85561943 JHHMVYYBMJVZCR-CQSZACIVSA-N 336.413 1.814 0 40 EDAB Cc1noc(C2CN(Cc3cn(-c4ccccc4C(=O)O)cn3)C2)n1 257246324 ITPJNKJYSSFSMR-UHFFFAOYSA-N 339.355 1.861 0 40 EDAB CC(=O)N1[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257242511 ICWOZHWUHHDRRN-UIBIWLFHSA-N 330.432 1.664 0 40 EDAB Cc1cc([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)nc(C)n1 257344894 ZZBLLNISIRHGKS-HNNXBMFYSA-N 325.434 1.739 0 40 EDAB CC(C)(CNC(=O)Cc1noc2ccccc12)N1CCS(=O)CC1 265026288 JKGMOCBJCXLFIL-UHFFFAOYSA-N 349.456 1.329 0 40 EDAB Cc1cccnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 287494623 KXVRFCZHUZYMBB-UONOGXRCSA-N 338.429 1.334 0 40 EDAB N[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3c2OCCCO3)C12CCC2 1615058323 NDCIYSWBEACXTC-ZIAGYGMSSA-N 338.429 1.396 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](CCC(=O)O)C(=O)O)c(C)c1 1616035645 BGPKZQKLHKFECC-RYUDHWBXSA-N 343.401 1.536 0 40 EDAB Cc1cc(NC(=O)N2CCC[C@@H](S(C)(=O)=O)C2)cn2ccnc12 296987553 OHIHFEPHHXJECV-CYBMUJFWSA-N 336.417 1.684 0 40 EDAB O=C(NCC(=O)N1CCC(n2ccnn2)CC1)OCc1ccccc1 129369896 GQFKFUSOOYLAJU-UHFFFAOYSA-N 343.387 1.368 0 40 EDAB COCC(=O)NC[C@@H]1CCC2(CN(C(=O)CCC(C)C)C2)OC1 585093674 HMIWMFADWOXRQF-AWEZNQCLSA-N 326.437 1.193 0 40 EDAB CCN(CC)C[C@]1(O)CN(C(=O)CCc2ccccc2)CC[C@H]1O 585285582 LDDKDGLZCYDTPX-MJGOQNOKSA-N 334.460 1.285 0 40 EDAB CCCC(=O)N1Cc2cncn2[C@H](C(=O)NCc2cccnc2)C1 585095985 IEEKHOLNKFHCJZ-HNNXBMFYSA-N 327.388 1.278 0 40 EDAB CN1CC[C@@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 585101751 DOIXCGOBUMKPNL-QGZVFWFLSA-N 329.379 1.717 0 40 EDAB CCOC(=O)c1cnc(N(C)Cc2nnc3ccccn23)nc1C 585139824 BVPMWZZGGDPRGQ-UHFFFAOYSA-N 326.360 1.641 0 40 EDAB CCN1C(=O)CO[C@H](C(=O)N2[C@H]3C=CC[C@H]2CC3)[C@H]1c1cnn(C)c1 585107773 OYXHFCIVDAAYJT-DIECFANBSA-N 344.415 1.028 0 40 EDAB C[C@@H]1C[C@H]1C(=O)N1CCn2cc(CC(=O)NCC3CC3)nc2[C@H]1C 585096621 WHITWNSUANDNHK-LALPHHSUSA-N 330.432 1.511 0 40 EDAB Cn1c(CN2CCN(c3cccc(Cl)c3)CC2)cc(=O)n(C)c1=O 57407611 BRPSZLPSJZEPSS-UHFFFAOYSA-N 348.834 1.060 0 40 EDAB CCSc1ccc(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)cn1 75140627 YFCFJJPMTCDNLA-AWEZNQCLSA-N 333.461 1.960 0 40 EDAB C[C@@H](CNC(=O)CSc1nnnn1C1CCCC1)Cn1ccnc1 75144701 LHLBPXMSNRYMKN-LBPRGKRZSA-N 349.464 1.529 0 40 EDAB CC(C)[C@@H](C(=O)NCCNc1ncccn1)N1C[C@H](C)O[C@H](C)C1 58393767 AXXGCOOTEDLBCC-ZNMIVQPWSA-N 335.452 1.139 0 40 EDAB O=C(CN1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1)N1CCNC1=O 76060347 SAGHKVBUJDDYDB-VIFPVBQESA-N 345.325 1.160 0 40 EDAB O=C(O)[C@@H](CNS(=O)(=O)CC1CC(F)(F)C1)C1CCOCC1 581603220 OURYYOCPJFFDQT-NSHDSACASA-N 341.376 1.079 0 40 EDAB CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](C)C2)c1 14184193 PQKMJXYTRMSXFH-LBPRGKRZSA-N 326.418 1.234 0 40 EDAB O=C(c1cccc(F)c1)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 19293511 RRBUCRCAWGXMPT-ZDUSSCGKSA-N 326.375 1.891 0 40 EDAB NCCn1nc([C@@H]2CCN(C(=O)Cc3ccccc3)C2)c2cccnc21 19370080 DBKGDLIREYQYFX-MRXNPFEDSA-N 349.438 1.949 0 40 EDAB C[C@H](CNC(=O)c1ccccc1Cn1cccn1)N1CCOCC1 19657701 XDRVMHLJRUVTLI-OAHLLOKOSA-N 328.416 1.382 0 40 EDAB CNC(=O)c1sc2ncccc2c1[C@H]1CCN(CC(=O)N(C)C)C1 19702061 JRZXBOOGMHTJND-NSHDSACASA-N 346.456 1.533 0 40 EDAB COC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930756 ILSUYDLPLNPLLN-GFCCVEGCSA-N 340.445 1.211 0 40 EDAB O=c1[nH]c(/C=C/C=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c(=O)[nH]1 8378465 DXOPUEINNZPVTC-BQJQTIKASA-N 330.256 1.606 0 40 EDAB CO[C@H]1[C@H](CNC(=O)Cn2ccc3ccccc32)COC[C@H]1OC 643585457 MNKRKMIUWPNXRH-KYJSFNMBSA-N 332.400 1.434 0 40 EDAB O=C(NC1CCCCCC1)C1CCN(c2ccc3nnnn3n2)CC1 24432121 LOWLDPWGXHUWTR-UHFFFAOYSA-N 343.435 1.575 0 40 EDAB COC(=O)[C@@H](C)NCc1c(Cl)cccc1N1CCN(C)CC1 583651491 NSBPBWZBPZLUSM-GFCCVEGCSA-N 325.840 1.743 0 40 EDAB COc1nn(C)cc1C(=O)N1CCC[C@@H](Oc2ncc(F)cn2)C1 585147441 ZBLSBFLKJQFQBJ-LLVKDONJSA-N 335.339 1.041 0 40 EDAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 3019894 LZKVQWQIQWLZPE-UHFFFAOYSA-N 341.386 1.904 0 40 EDAB CC(C)[C@H]1NC(=O)N(CC(=O)NCCCCc2ccccc2)C1=O 21656488 NGBCYVKRLUDORK-MRXNPFEDSA-N 331.416 1.702 0 40 EDAB Cc1cc(N2CC[C@@H](N(C)S(=O)(=O)C3CC3)C2)n2nc(C)cc2n1 1888853900 SRRMHZDWSSOJFG-CYBMUJFWSA-N 349.460 1.349 0 40 EDAB CCOC[C@H]1CN(C(=O)Cc2ccc(F)cn2)Cc2cn(C)nc21 1565543391 MABHSPKSSKOQRC-CYBMUJFWSA-N 332.379 1.659 0 40 EDAB Cc1cccc(-c2nnn3c2CO[C@@H](CNC(=O)C2(F)CC2)C3)c1 1565547988 VXRBWCUHOFVYCV-ZDUSSCGKSA-N 330.363 1.771 0 40 EDAB Cc1cc([C@H](O)CNS(=O)(=O)c2cn(C)c(C(C)C)n2)c(C)o1 1565520158 HIBGPKVLNLTGIW-CYBMUJFWSA-N 341.433 1.765 0 40 EDAB O=C1CSC(=O)N1C1CN(S(=O)(=O)/C=C/c2ccccc2)C1 206955614 XOFGNAMLSFPGJH-VOTSOKGWSA-N 338.410 1.367 0 40 EDAB COc1ccccc1CC(=O)NC1CCN(c2cnsn2)CC1 575615717 HIAWWFFUALAEJD-UHFFFAOYSA-N 332.429 1.874 0 40 EDAB COc1ccc2c(c1)[nH]c1c(=O)n(CCCN3CCCC3=O)cnc12 491198 INVMZBCTCSGRCP-UHFFFAOYSA-N 340.383 1.899 0 40 EDAB biogenic COC[C@@H](C)NC(=O)c1cn(-c2cccc(Br)c2)nn1 40506104 SRIZVAWBFOECLZ-SECBINFHSA-N 339.193 1.795 0 40 EDAB CS(=O)(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl 40542976 ZFVDQXMAHDHSRT-UHFFFAOYSA-N 332.230 1.316 0 40 EDAB COc1ccc(C(=O)NCCS(N)(=O)=O)cc1-c1ccccc1 51374358 JABVCTNPCYCKBN-UHFFFAOYSA-N 334.397 1.381 0 40 EDAB O=C(NCCc1nc2ccccc2[nH]1)c1ccccc1-n1cnnn1 32556076 KVYHYYADBUYOEE-UHFFFAOYSA-N 333.355 1.511 0 40 EDAB CCc1ccc(CN(Cc2cccnc2)C(=O)Cn2cnnn2)cc1 32678902 WEDOECQCSKMAPH-UHFFFAOYSA-N 336.399 1.860 0 40 EDAB O=C(NCc1cccc(N2CCOC2=O)c1)N1CCC(CO)CC1 52598491 FZIPBKHVTQDOOK-UHFFFAOYSA-N 333.388 1.557 0 40 EDAB O=C(NC[C@@H]1CCOC1)c1ccc(S(=O)(=O)N2CCCCC2)o1 41366076 ZHMBWYGZHAVRDE-LBPRGKRZSA-N 342.417 1.221 0 40 EDAB CN(C)c1nc(N)nc(COC(=O)c2sccc2-n2cccc2)n1 21955186 GOWXHERPWQGROI-UHFFFAOYSA-N 344.400 1.729 0 40 EDAB C[C@H]1CCCN(C(=O)C2CCN(c3ncnc4c3cnn4C)CC2)C1 42110451 YPDDLCRXXQGXEL-ZDUSSCGKSA-N 342.447 1.838 0 40 EDAB Cc1ccc(C(=O)NCCNc2ncnc3c2cnn3C)cc1F 24215110 PZSUJWIJZIUQFH-UHFFFAOYSA-N 328.351 1.653 0 40 EDAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCCNC(=O)C(C)C)c12 24981068 ZGNVDBLSFJKGME-UHFFFAOYSA-N 345.447 1.902 0 40 EDAB Cc1oc(C(=O)N2CCN(CCO)CC2)cc1COc1ccccc1 78783449 NZNGILYAQVTGJY-UHFFFAOYSA-N 344.411 1.917 0 40 EDAB COc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 24943616 GIKUKXWJLWUVCB-INIZCTEOSA-N 347.415 1.228 0 40 EDAB CCc1nc(CN(C)[C@@H]2CCN(CC(=O)Nc3cc(C)on3)C2)no1 78891570 AIKRPDGDTKXXAO-GFCCVEGCSA-N 348.407 1.073 0 40 EDAB C[C@](O)(CNC(=O)NCC[S@@](=O)c1ccccc1)c1ccco1 78942114 YKEQSSJOEPZLRK-HJPURHCSSA-N 336.413 1.594 0 40 EDAB C[C@H]1CN([C@H](C)CNC(=O)CCN2CCSC2=O)C[C@@H](C)O1 106560034 VLNNWHSILPZXJC-UPJWGTAASA-N 329.466 1.159 0 40 EDAB CCOC(=O)c1ccc(S(=O)(=O)NCCN(CC)CC)cc1 3328479 WFAQLYRZJUOYMS-UHFFFAOYSA-N 328.434 1.483 0 40 EDAB O=C1[C@H](C(=O)N2CCO[C@H]3CCC[C@@H]32)CCN1c1ccc(F)cc1 56198484 NBXHJOGZAVEPBV-PMPSAXMXSA-N 332.375 1.959 0 40 EDAB CCc1ccc([C@H]2[C@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 4903972 KMYYBZLECFIGBN-CYJAXWMASA-N 348.395 1.635 0 40 EDAB CNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(C)cn2)cc1 56724126 GQFGBFTVCKFCHG-UXBLZVDNSA-N 331.397 1.950 0 40 EDAB CCN1C(=O)[C@@]2(NC(N)=Nc3nc4ccccc4n32)c2ccccc21 7719522 QWUKBTCYVOMHLX-GOSISDBHSA-N 332.367 1.653 0 40 EDAB Cc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 35436332 AKUAOVYVACWIPN-INIZCTEOSA-N 331.416 1.257 0 40 EDAB COC(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 8346066 GNRFIUANOWAWSI-UHFFFAOYSA-N 338.319 1.716 0 40 EDAB CC(=O)N[C@H](C(=O)N1CCC(c2nc(C)no2)CC1)C1CCCC1 108784814 XITIGDLTXYXCGZ-HNNXBMFYSA-N 334.420 1.779 0 40 EDAB Cn1cc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cn1 108525885 NDIOSXSUMRLJBH-AEFFLSMTSA-N 332.448 1.271 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)/C=C/c2cccs2)c1 27346725 WNTZNBHKMCTPRN-BQYQJAHWSA-N 336.438 1.986 0 40 EDAB Nc1nccnc1C(=O)NCc1ccccc1CN1CCCCC1 10140769 FWGMWFSPTJSCNZ-UHFFFAOYSA-N 325.416 1.975 0 40 EDAB CCOc1ccccc1N1CCN([C@@H](C)C(=O)NC(=O)NC)CC1 58143247 ZDDCQKQMOCFFQM-ZDUSSCGKSA-N 334.420 1.051 0 40 EDAB CCOC1CCN(S(=O)(=O)c2cccc(C)c2C(=O)OC)CC1 58182131 HGAAXPPLTQZYSB-UHFFFAOYSA-N 341.429 1.971 0 40 EDAB O=C(NCCCn1ncccc1=O)c1cc2ccccc2oc1=O 23137382 WXJDHVOBSVKPNB-UHFFFAOYSA-N 325.324 1.170 0 40 EDAB C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)[C@@H]1CCCO1 27868257 JMYPGTGHYTWRQG-ABAIWWIYSA-N 338.429 1.306 0 40 EDAB C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1cccc(Br)c1 58406366 AQCASESYHLEYCB-XVKPBYJWSA-N 340.177 1.224 0 40 EDAB C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H](C)O1 26990499 FIZLUQBBOWOFEV-NXEZZACHSA-N 331.821 1.993 0 40 EDAB C[C@H]1CN(C(=O)NCCc2cnn(C)c2)CCN1CC(F)(F)F 95447210 HCIWFJJEGIAEBH-NSHDSACASA-N 333.358 1.241 0 40 EDAB CN1CCN(CCCNC(=O)NCC2(c3ccccc3)CC2)CC1 45578658 LKJBZWIGPSJCOV-UHFFFAOYSA-N 330.476 1.655 0 40 EDAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)NCc3ccccc3Cl)nc21 28835847 ZBLZCEBKEUCYOD-UHFFFAOYSA-N 344.758 1.205 0 40 EDAB CN(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)S(C)(=O)=O 46147996 SUNBPNAUCURKHP-UHFFFAOYSA-N 340.401 1.558 0 40 EDAB O=C(COC(=O)c1cccc(Br)c1)NC[C@@H]1CCCO1 3253622 ZBGKUCWFOKOKKV-LBPRGKRZSA-N 342.189 1.901 0 40 EDAB CC(=O)Nc1nc(C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)cs1 48137494 VFKBEEWEBKWSOC-NSHDSACASA-N 332.385 1.597 0 40 EDAB Cc1c(Cl)ccc2ccc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)nc12 95462977 VJLXWEPYQOQSDA-GFCCVEGCSA-N 344.802 1.344 0 40 EDAB Cc1ccc(N2CC[C@H]3OCCC[C@@]3(COCCN(C)C)C2)nn1 107711547 OMHCDEXDTBZELL-AEFFLSMTSA-N 334.464 1.739 0 40 EDAB CN(c1ncccn1)[C@H]1CO[C@]2(CCN(Cc3nccn3C)C2)C1 107226756 YOTNULLIKUBERT-RHSMWYFYSA-N 328.420 1.080 0 40 EDAB C[C@H](OC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O 26418879 MFZGBRBBXOVNLG-WHANRRFUSA-N 348.443 1.611 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)c1ccc2ccccc2c1O 3438759 DEEJWEPOTUFRBE-UHFFFAOYSA-N 330.340 1.936 0 40 EDAB Cc1nnc2n1C[C@@H](NCc1ccccc1OCC(=O)N(C)C)CC2 62639866 KRLWOSXMUVUTLF-HNNXBMFYSA-N 343.431 1.158 0 40 EDAB O=C(CN1CCCCC1)OCCCOC(=O)CN1CCCCC1 4151611 XBNBPYFDNVIMOS-UHFFFAOYSA-N 326.437 1.435 0 40 EDAB Cc1cc(OCC(=O)N2CCN(C)CC2)c2c(C)cc(=O)oc2c1 13625229 CNPCGSHSBQPWPY-UHFFFAOYSA-N 330.384 1.563 0 40 EDAB COC[C@@H](C)NC(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O 5059761 PEQWBUVJXDHIIL-NEPJUHHUSA-N 348.424 1.888 0 40 EDAB CCCCn1c(SCC(=O)NCc2ccco2)nc(O)cc1=O 13957295 IWMKDRBNZHFLIV-UHFFFAOYSA-N 337.401 1.751 0 40 EDAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC(C)C)C1=O 4477170 KQSPAARTVBQSGG-KRWDZBQOSA-N 346.387 1.078 0 40 EDAB Cc1cnn(CCCCCN2CCN(CC(=O)NC3CC3)CC2)c1 65541626 SRFQOWIRMNLBDQ-UHFFFAOYSA-N 333.480 1.258 0 40 EDAB CN(CCN1CCOCC1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 65550708 QJMQGEQWKKRRAO-HNNXBMFYSA-N 349.456 1.280 0 40 EDAB CN1CCN(CCCCNS(=O)(=O)c2ccc(Cl)cc2)CC1 65605399 UMTXNJBJCGMKTD-UHFFFAOYSA-N 345.896 1.646 0 40 EDAB COc1ccccc1OCC(=O)N(CCN(C)C)C[C@H]1CCCO1 65608960 XZGSSAFQLJCRGR-OAHLLOKOSA-N 336.432 1.643 0 40 EDAB CCOc1ccccc1N1C(=O)C(=O)N(Cc2cc(C)no2)C1=O 14200424 UZQDXQUXKKUEGB-UHFFFAOYSA-N 329.312 1.877 0 40 EDAB CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 6605556 FZPOJKLMSIOKBU-UHFFFAOYSA-N 335.223 1.158 0 40 EDAB COc1ccc(NC(=O)CCC(=O)N2CCC(C(=O)O)CC2)cc1 6736573 YPJIAZBSCXXLMA-UHFFFAOYSA-N 334.372 1.737 0 40 EDAB O=C(c1nc(N2CCCCC2)ncc1Cl)N1CCCn2ncnc21 71839396 STVAUMZICQIQOF-UHFFFAOYSA-N 347.810 1.762 0 40 EDAB Nc1nccnc1C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 71898104 JOYFHBYLTLSGRS-LLVKDONJSA-N 347.369 1.731 0 40 EDAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)COCc1nc2ccccc2s1 71829764 WVTPAQURWRXTPF-NWDGAFQWSA-N 347.440 1.925 0 40 EDAB Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)cc1S(C)(=O)=O 71866582 HYISDWDABJAFFU-OAHLLOKOSA-N 347.440 1.900 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)CC1 71881813 MUFROLCRCVWZIU-CGTJXYLNSA-N 332.444 1.714 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)s1 71866719 VGNYOMYUVZVQBC-CYBMUJFWSA-N 332.429 1.886 0 40 EDAB O[C@@H](COC[C@H]1CCCO1)CN1CCN(c2ccccc2F)CC1 68048615 WIALFKJOQWJYSC-HZPDHXFCSA-N 338.423 1.504 0 40 EDAB Cc1ccccc1OCCN(C)C(=O)c1cnc2n(c1=O)CCS2 16147851 FOQSQXQLGQVRCT-UHFFFAOYSA-N 345.424 1.808 0 40 EDAB O=C(CN1CCN(c2ccccn2)CC1)NCCc1cccs1 7911620 LQKYSVHGOYVKSJ-UHFFFAOYSA-N 330.457 1.624 0 40 EDAB Cc1occc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8096341 SYIPAXKFSZREIZ-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB C[C@@H]1CN(C(=O)CSc2nnnn2Cc2ccccc2)C[C@@H](C)O1 8132685 QBZBMDCXLUKQPA-CHWSQXEVSA-N 347.444 1.449 0 40 EDAB O=C(CN1CCO[C@H](Cn2cccn2)C1)N1CCc2sccc2C1 69436612 YPQCSQGFMOGHKN-HNNXBMFYSA-N 346.456 1.230 0 40 EDAB COC(=O)CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)[C@@H](C)C1 95984601 LLQNCIHUJPOANC-ZDUSSCGKSA-N 329.400 1.877 0 40 EDAB CCN(CC)C(=O)CCCNC(=O)c1cn(-c2ccc(F)cc2)nn1 69559420 FQQFCKYHXPYNBW-UHFFFAOYSA-N 347.394 1.785 0 40 EDAB O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1ccc(=O)[nH]c1 69557399 ZZZFARKWOCJPFC-CYBMUJFWSA-N 347.371 1.668 0 40 EDAB COc1ccc(CCNC(=O)CN2CCC[C@@H]2Cn2cncn2)cc1 69601233 KXNHBVOVCOVDBT-MRXNPFEDSA-N 343.431 1.110 0 40 EDAB COc1ccccc1OCCNC(=O)N1CCC(n2cncn2)CC1 69633204 IBVXFJDVVGSCPV-UHFFFAOYSA-N 345.403 1.712 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](n2ccnc2)C1 69630343 YJDUOZDUVCHVSV-CYBMUJFWSA-N 326.356 1.655 0 40 EDAB CCc1cccc2c1N(CC(=O)N[C@H]1CCS(=O)(=O)C1)CCC2 69631717 NEVSAVLHLMVRRB-HNNXBMFYSA-N 336.457 1.305 0 40 EDAB CNC(=O)NC(=O)CNc1cc(F)ccc1OC[C@@H]1CCCO1 69737874 QEJDVFMSJURNPC-NSHDSACASA-N 325.340 1.251 0 40 EDAB Cc1nc(N2CCOC[C@@H]2C(N)=O)c2c(CC(C)C)csc2n1 97049842 FDJRYXIFGRZKKI-GFCCVEGCSA-N 334.445 1.889 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2nnc(Cc3ccccc3)o2)CC1 69877600 IFMQAHPXQYRLHN-OAHLLOKOSA-N 344.459 1.843 0 40 EDAB CN(C)C(=O)CC1CCN(C(=O)N[C@H]2CCC[C@@H](N(C)C)C2)CC1 97080546 CJCOIJOGORBDPE-JKSUJKDBSA-N 338.496 1.759 0 40 EDAB COC[C@](C)(NC(=O)c1cccc(OCc2cccs2)c1)C(N)=O 69951471 JRKLQKVLTVBXGE-KRWDZBQOSA-N 348.424 1.947 0 40 EDAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2cccnc2)cc1 8780307 XPXIPSKLMNFDMW-UHFFFAOYSA-N 333.413 1.103 0 40 EDAB CC(=O)N1CCN(C(=O)C(C)(C)n2cc(Br)cn2)CC1 71184924 XWKDYNKMLHEYFT-UHFFFAOYSA-N 343.225 1.071 0 40 EDAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc2c(c1)OCCO2 72300606 LLCKPNSYGQCKBZ-OCCSQVGLSA-N 340.445 1.217 0 40 EDAB O=C(NCC1CC1)[C@H]1CCCN(Cc2nc3ccccc3[nH]c2=O)C1 97201568 ZTMZQZJUWIZLNE-AWEZNQCLSA-N 340.427 1.661 0 40 EDAB Cc1nc2ccccn2c1CN1CCCC[C@@H]1C(=O)N1CCOCC1 89547706 HFOMFJYXVSUCKV-MRXNPFEDSA-N 342.443 1.856 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 75111283 YGXJJMIJUKLNLF-NSHDSACASA-N 345.447 1.941 0 40 EDAB COC[C@@H](O)CNC(=O)N[C@H](C)Cc1ccccc1Br 89904201 DHGRRXYYJZWWLT-PWSUYJOCSA-N 345.237 1.687 0 40 EDAB CC1(C)Cc2cccc(OCCC(=O)N3CCC[C@H](C(N)=O)C3)c2O1 89919706 QCGRCWYARJBKMY-AWEZNQCLSA-N 346.427 1.893 0 40 EDAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)o1 23080687 ZPDLVIMGFNJOFW-FNORWQNLSA-N 341.323 1.953 0 40 EDAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCCO1 408709763 WQZQEDQGHIISOQ-LBPRGKRZSA-N 333.388 1.059 0 40 EDAB CC1CCC(NC(=O)CNc2cccc(-c3nnnn3C)c2)CC1 25705401 HRRCDMZGHZGPKA-UHFFFAOYSA-N 328.420 1.984 0 40 EDAB COc1ccc(C(=O)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(O)c1 408621074 LDRLDNGRJLNJLL-WPAXTICGSA-N 339.347 1.594 0 40 EDAB Cc1cc(F)cc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)O)c1 548533047 YKWZAPNWSOYNFC-GWCFXTLKSA-N 331.365 1.292 0 40 EDAB COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NC(C)C)CS[C@@H]21 2117250 ORQDLNHJWQFIKH-HWPZZCPQSA-N 336.413 1.798 0 40 EDAB biogenic O=C(CCCn1cnnn1)N1CCC[C@H]1c1nc2ccccc2[nH]1 524733438 RPTPMYYZDXOUJF-AWEZNQCLSA-N 325.376 1.693 0 40 EDAB CN(C)c1cc(C(=O)NCC(=O)NCc2ccccc2)cc(Cl)n1 79039112 CIPSTLZHSRQLGP-UHFFFAOYSA-N 346.818 1.847 0 40 EDAB O=C(COc1ccccc1F)NC[C@@]1(OCCO)CCSC1 1565520053 FAZAXPJNIILEDU-HNNXBMFYSA-N 329.393 1.205 0 40 EDAB N[C@@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218642573 IVQYEAGJOSKWRQ-YCPHGPKFSA-N 335.356 1.548 0 40 EDAB COC(=O)Cc1c(C(=O)OC)sc2[nH]c(SC)nc(=O)c12 63579850 KTQQGBIJQAGDDS-UHFFFAOYSA-N 328.371 1.209 0 40 EDAB CC(C)(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)N1CCC[C@@H]1C(=O)O 563071524 FLHGJCNYARGZBM-JHJVBQTASA-N 348.465 1.211 0 40 EDAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCCCn2cccn2)o1 72241030 WPUSWRUWANQZLZ-HNNXBMFYSA-N 330.388 1.482 0 40 EDAB Cc1cc(CCC(=O)O)nc([C@H]2CCCCN2S(C)(=O)=O)n1 72363393 SUFFXODUSNRUAL-GFCCVEGCSA-N 327.406 1.289 0 40 EDAB CCC(=O)c1ccc(OCc2ncc(CCC(=O)O)c(=O)[nH]2)cc1 223444676 IABRMFQEEVHGRZ-UHFFFAOYSA-N 330.340 1.959 0 40 EDAB CNC(=O)CCNC(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1C 226852037 XGZIZZKZVHZCFW-ZDUSSCGKSA-N 330.388 1.200 0 40 EDAB C[C@H](NC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1ccncc1 192143696 LIGIAONHZYEVNT-INIZCTEOSA-N 345.491 1.812 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)c1ccccc1N1CCC(=O)NC1=O 19340710 OYDCAAJBVKPFQX-GFCCVEGCSA-N 341.371 1.148 0 40 EDAB C[C@@H](C(=O)NCCC(=O)NC1CC1)N1C(=O)CCCc2ccccc21 227169311 PQGMJMZDGAKESD-ZDUSSCGKSA-N 343.427 1.529 0 40 EDAB Cc1cc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)sc1Cl 195578795 KWJNHJFDBFBJOJ-SNVBAGLBSA-N 338.882 1.661 0 40 EDAB COCC1CCC(NC(=O)c2cc(N3CCOCC3)ccn2)CC1 574257637 AMLUZEIFRCPQRI-UHFFFAOYSA-N 333.432 1.853 0 40 EDAB CCOc1ccc(-c2noc(CNC(=O)c3ccc[n+]([O-])c3)n2)cn1 225816477 ATLSZKLHTGCKJP-UHFFFAOYSA-N 341.327 1.094 0 40 EDAB O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CCC[C@H](n2ccnn2)C1 584586981 WJLFXKAALAEHHL-ZDUSSCGKSA-N 340.343 1.099 0 40 EDAB CCOC[C@@H]1c2c(cnn2C)CCN1C(=O)COc1ccccc1 96197747 PNDPWYNPJPCTGJ-MRXNPFEDSA-N 329.400 1.961 0 40 EDAB Cn1cc(-c2ccc3c(C4CN(S(C)(=O)=O)C4)ncn3c2)cn1 96260738 NCTLUVQWUMCYAP-UHFFFAOYSA-N 331.401 1.094 0 40 EDAB c1cnc(N2CC[C@]3(COCCN(Cc4nccs4)C3)C2)nc1 96202298 RIRCTSSPYUZYJU-MRXNPFEDSA-N 331.445 1.662 0 40 EDAB CC(C)NC(=O)N1Cc2nccn2C[C@H](COc2cccnc2)C1 96188052 HVFHVIJJRJRKFC-AWEZNQCLSA-N 329.404 1.907 0 40 EDAB O=C(NCc1ccccc1)N1CCn2c(Cn3cncn3)cnc2C1 96201153 DPNOPJOGYXVPRK-UHFFFAOYSA-N 337.387 1.248 0 40 EDAB C[C@H]1SCCN(C(=O)Cn2cc(Br)ccc2=O)[C@@H]1C 96411123 RYKGYNCZSORAOE-NXEZZACHSA-N 345.262 1.963 0 40 EDAB Cc1ccc(N[C@H]2CO[C@@]3(CCCN(Cc4nccn4C)C3)C2)nn1 96223179 SWOXDCJMXKPDPM-QAPCUYQASA-N 342.447 1.754 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CN(C2CCOCC2)C[C@H]2OCC[C@H]21 96041176 JCGNFNBWOXJCNW-OKZBNKHCSA-N 345.443 1.214 0 40 EDAB CS(=O)(=O)N1CC[C@H](CNC(=O)/C=C/c2cc3ccccc3o2)C1 95435301 NLPGLQYNNPRZAB-KTRBRXNASA-N 348.424 1.844 0 40 EDAB O=C1C[C@H](c2ccncc2)C2(CCN(C(=O)c3cnccn3)CC2)N1 96199942 FLCFZQCWQJKNES-CQSZACIVSA-N 337.383 1.150 0 40 EDAB O=C(NC1CCN(c2cc(-n3ccnc3)ncn2)CC1)c1ccncc1 95400219 KUYICUYOUALQCS-UHFFFAOYSA-N 349.398 1.456 0 40 EDAB CCc1ccc([C@@H](COC)NC(=O)c2ccnc(-n3cncn3)c2)o1 96423273 LAZBMWSQCTXYRN-CQSZACIVSA-N 341.371 1.935 0 40 EDAB O=C(Cc1ccsc1)N1C[C@@H]2OCCN(c3cnccn3)[C@@H]2C1 96248667 ZGNXNOXZMAHYLE-KGLIPLIRSA-N 330.413 1.197 0 40 EDAB CO[C@@H]1C[C@@H](c2nncn2C)N(c2ncnc3cccc(F)c23)C1 583617335 SNRFIENFSJHFQK-MFKMUULPSA-N 328.351 1.864 0 40 EDAB Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)N2CCCC2)C1 96038709 BZRFYHAZWKIPAQ-SJLPKXTDSA-N 333.432 1.895 0 40 EDAB Cc1ccc(C(=O)N2CCOC[C@]3(CCN(c4ncccn4)C3)C2)o1 96045685 XGSKDXWQYPYVMD-GOSISDBHSA-N 342.399 1.747 0 40 EDAB O=C(NCc1ccccn1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95479587 BABASFABWBLWML-GFCCVEGCSA-N 335.367 1.627 0 40 EDAB COC[C@@H]1CN(C(=O)c2cncc(C)c2)Cc2nnn(CC3CC3)c21 96045584 MTBHNBPAJKEEML-HNNXBMFYSA-N 341.415 1.778 0 40 EDAB COc1ccc(-c2nn([C@@H](C)C(=O)N(C)C)c(=O)cc2OC)cc1 96101021 PHBDLOJWFTXPNK-NSHDSACASA-N 331.372 1.577 0 40 EDAB COc1cc(N2CC3(C2)OCC[C@@H]3COCc2cccnc2)ncn1 247908429 SZTLGBGBDLAVCL-OAHLLOKOSA-N 342.399 1.692 0 40 EDAB C[C@@H]1CC2(CCOCC2)CN1C(=O)CNC(=O)c1ccc(F)cc1 585089927 PYSVIDZZTXOVQC-CYBMUJFWSA-N 334.391 1.973 0 40 EDAB CN1CCc2ncnc(N3CCN(Cc4ccsc4)CC3)c2C1 65474775 IKSFLMHRQGSQQZ-UHFFFAOYSA-N 329.473 1.848 0 40 EDAB O=C1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)[C@@H](C2CC2)C1 585125559 XDANZDLIDKQZAF-QGZVFWFLSA-N 347.459 1.884 0 40 EDAB CC(C)Oc1ccc(CCNC(=O)C2(N3CCOCC3)CC2)cc1 585141269 RXQLPTGLXKOPGP-UHFFFAOYSA-N 332.444 1.997 0 40 EDAB O=C(NC[C@@H]1CC(C(F)(F)F)=NO1)NC1CCN(CC2CC2)CC1 585137648 MIVKQSZWVWCOIO-LBPRGKRZSA-N 348.369 1.867 0 40 EDAB Cc1nc(CN2Cc3ccnn3[C@H](C(=O)NCC3CC3)C2)cs1 247936870 DZEVTGPPVQNLQS-HNNXBMFYSA-N 331.445 1.731 0 40 EDAB COCC(=O)N1CCC2(CC1)C[C@@H](Cc1ccccc1)N(C)C2=O 257226752 FLYQACRHLLFLOX-MRXNPFEDSA-N 330.428 1.715 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2nc(C(C)C)no2)n1 257313299 URSVCSUSUFZWGM-GFCCVEGCSA-N 333.392 1.757 0 40 EDAB Cc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cn1 257242023 IASMIHBOXJKXKC-HNNXBMFYSA-N 334.445 1.767 0 40 EDAB CCn1ncc(CNC(=O)N=c2nc(-c3sccc3C)[nH]s2)n1 529066515 YHTHNFAVXHEULE-UHFFFAOYSA-N 349.445 1.930 0 40 EDAB C[C@]12CCN(S(=O)(=O)Cc3cccc(F)c3)[C@H]1CCC(=O)N2 257230753 GDSZDTXQXKBCAW-ZFWWWQNUSA-N 326.393 1.399 0 40 EDAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 257296124 RBJIYDBFIOLQMH-CQSZACIVSA-N 338.371 1.513 0 40 EDAB CO[C@H]1CN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC[C@@]12CCCO2 257206607 BEEAAALWZVOXHG-WMZOPIPTSA-N 342.399 1.882 0 40 EDAB Cc1ccnc([C@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1 257257586 KQHCKJRDCLPNKW-MRXNPFEDSA-N 343.431 1.979 0 40 EDAB Cc1c(C(=O)N2CC[C@@H]3NC(=O)CO[C@H]3CC2)[nH]c2ccc(F)cc12 257279027 OERPFKNJUBYMLJ-GJZGRUSLSA-N 345.374 1.735 0 40 EDAB C[C@@H](NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)c1cnn(C)c1 266784869 KPCXVYIJAHFVDZ-HIFRSBDPSA-N 343.435 1.582 0 40 EDAB CN([C@H](C(=O)NCc1ccccn1)c1ccccc1)S(C)(=O)=O 260770697 TYJJTJRHSMORGP-HNNXBMFYSA-N 333.413 1.331 0 40 EDAB CCc1cccc(S(=O)(=O)Nc2cc3n(n2)CCN(C)C3=O)c1 1615548151 BTRLPMITJDDXEZ-UHFFFAOYSA-N 334.401 1.332 0 40 EDAB C[C@H]1CCC[C@@]1(NS(=O)(=O)c1ccc(C(=O)O)cc1)C(=O)O 1615588036 NLQSKWGUPQDBIZ-XPTSAGLGSA-N 327.358 1.307 0 40 EDAB CCn1ncc(Br)c1C(=O)N[C@@H](C)C(=O)N1CCCC1 1615612309 FDUOGWSOOGHSQJ-VIFPVBQESA-N 343.225 1.406 0 40 EDAB COCCN1CC[C@]2(CN(Cc3cc(C)on3)CC(F)(F)C2)C1=O 585093101 BXRCTUQQHSPBNX-HNNXBMFYSA-N 343.374 1.689 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@@H]2O1 585108953 HPUMCLOYKICDDT-CFVMTHIKSA-N 347.390 1.918 0 40 EDAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccno1 585112024 KFDONLPQHLGKPJ-INIZCTEOSA-N 338.367 1.963 0 40 EDAB COc1ccccc1C(=O)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O 585260814 UZHCJSJSQHTXMX-JFIYKMOQSA-N 348.443 1.429 0 40 EDAB CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2cnc(C)nc2C)C1 585277476 MDHCVJNPHAEJKL-KRWDZBQOSA-N 334.420 1.241 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ccn(C)n1 585288189 QJQMBUDMDGDNHP-SUMWQHHRSA-N 334.420 1.099 0 40 EDAB O=c1cc2c(nn1CC1CCN(C[C@H](O)C(F)(F)F)CC1)CCC2 585502361 KFFAFJOSPGCOOO-AWEZNQCLSA-N 345.365 1.367 0 40 EDAB C[C@@H]1Oc2c(cccc2C(=O)N2CCC[C@H]2Cn2cccn2)NC1=O 69744651 AOCPPJVGLMAXJT-STQMWFEESA-N 340.383 1.907 0 40 EDAB Cc1noc(COCC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)n1 72299380 YHMHKLYJKVUWOF-NSHDSACASA-N 335.364 1.765 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)C2)no1 72231769 DYWBJYKUHVOTIJ-ZYHUDNBSSA-N 329.422 1.296 0 40 EDAB O=C(CC[C@H]1CCCO1)NC1CCN(C(=O)c2ccncc2)CC1 53351938 HGUXHTACGLDWBR-MRXNPFEDSA-N 331.416 1.762 0 40 EDAB Cc1ccc(NC(=O)CN2CCN(C[C@@H]3CCOC3)CC2)c(C)c1 75104994 JFBQZAKTLBVPQI-KRWDZBQOSA-N 331.460 1.896 0 40 EDAB CC[C@H]1CCc2nc(NC(=O)Cn3ccc(=O)n(C)c3=O)sc2C1 40554007 MXRCFSNRKFTANK-JTQLQIEISA-N 348.428 1.157 0 40 EDAB COc1ccc(C2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCCC2)cc1 58783560 PPWZTWZFKSDPTL-AWEZNQCLSA-N 337.441 1.810 0 40 EDAB COc1ccc2c(c1)OC[C@H]2CC(=O)N1C[C@H](CO)OC(C)(C)C1 570953230 YEGRHHGTWHVBDO-TZMCWYRMSA-N 335.400 1.560 0 40 EDAB Cc1sc2nc(C)n(C3CCN(CC(N)=O)CC3)c(=O)c2c1C 12145410 AVLWUJGEMZYZRG-UHFFFAOYSA-N 334.445 1.505 0 40 EDAB CCn1nc(C)c(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)c1C 12276736 WWBQIWTWOMWJCQ-UHFFFAOYSA-N 343.431 1.988 0 40 EDAB Cc1nc2cc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)nn2c(O)c1C 12336962 RATGQTREFDNIBI-KGLIPLIRSA-N 330.388 1.894 0 40 EDAB COc1ccc(CCNC(=O)c2c(O)c3c([nH]c2=O)CCCC3)cc1 13119685 BFRZHIONYCPRSG-UHFFFAOYSA-N 342.395 1.940 0 40 EDAB biogenic C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1C 19575206 BEERMGACMMQTOF-HDEZJCGLSA-N 332.444 1.733 0 40 EDAB CN1CC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1=O 528025275 INMIHKYZJAZROG-HOCLYGCPSA-N 336.480 1.561 0 40 EDAB O=C(Cc1cc(Cl)cc2c1OCC2)NC[C@H](O)C1CCOCC1 541727790 WNLFVYHDLVHYRP-HNNXBMFYSA-N 339.819 1.721 0 40 EDAB CCOC(=O)NC(=O)CSc1nnc(-c2cccc(F)c2)n1N 4876674 CCUQFSRZIBSRNB-UHFFFAOYSA-N 339.352 1.163 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 238832567 GGNHNYIYNSYMGC-WWGRRREGSA-N 334.372 1.551 0 40 EDAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(C(=O)CC3CCC3)[C@@H]2CN1 2037983768 FBFQCVSMHQDWDF-GPMSIDNRSA-N 328.412 1.686 0 40 EDAB C[C@]1(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)NCC3CC3)C2)CC=CCC1 1565555342 XUXDYSVFXVYTGE-NNFUDEMPSA-N 332.444 1.875 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 1565544459 HUJLWCFDRQXGDE-MGTHKWJCSA-N 344.386 1.674 0 40 EDAB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H]1CCOC1)CC2 1565551663 IXPGQPSUDRAZLO-LSDHHAIUSA-N 338.448 1.147 0 40 EDAB Cn1cc(C(=O)NC2CC3(CCN(C(=O)C4(F)CCC4)C3)C2)cn1 1565553399 XLBZDHHSTBRKKH-UHFFFAOYSA-N 334.395 1.423 0 40 EDAB Cc1nc(C)c(CN2CCO[C@]3(CO[C@@H](C(=O)N(C)C)C3)C2)s1 1565541773 XGFYRQHSDSYPAU-CJNGLKHVSA-N 339.461 1.208 0 40 EDAB O=C(Cn1nnc2ccccc21)NCc1nccnc1-c1ccco1 575618737 ISIACPOQEBGLSW-UHFFFAOYSA-N 334.339 1.798 0 40 EDAB CCOC(=O)[C@@H]1CCCN(c2nc(N3CCCC3)c3nn[nH]c3n2)C1 70655795 VORBZTJZEIAXPL-LLVKDONJSA-N 345.407 1.128 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)N1CCn2c1nc1ccccc12 30793724 MNFBBPFSLHFFID-UHFFFAOYSA-N 334.335 1.991 0 40 EDAB COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1cc(OC)ccc1OC 100420785 QERLXPBRNGASQE-LLVKDONJSA-N 348.355 1.225 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)CN(C)CC(=O)Nc2cc(C)on2)c1 40477672 GCKDCILUJAIZJQ-HNNXBMFYSA-N 347.415 1.910 0 40 EDAB COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccnc3)CC2)n1 51375549 YADQIUSKPFMJBD-HUUCEWRRSA-N 339.399 1.333 0 40 EDAB C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)[C@@H]1CCCO1 32247517 CUSMTBJOMXFKJW-ZANVPECISA-N 330.388 1.436 0 40 EDAB CCN1CC[C@H](CNC(=O)c2nc(N3CCCC3)ncc2Cl)C1 101689247 CTXJAYJYXNISGM-GFCCVEGCSA-N 337.855 1.802 0 40 EDAB CN(C)C1(CNc2c(NCc3ccccn3)c(=O)c2=O)CCCCC1 101694656 PWLVOKUFKPKQFO-UHFFFAOYSA-N 342.443 1.966 0 40 EDAB CC(C)n1c(=O)[nH]c2cc(C(=O)N[C@H](C)[C@H]3CCCO3)ccc2c1=O 32638577 NPTUTABJEKDIKU-IAQYHMDHSA-N 345.399 1.568 0 40 EDAB NC(=O)C1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 32758231 ZUHQJOSNHUIARU-SJLPKXTDSA-N 332.444 1.639 0 40 EDAB CN1CC[C@H](C(=O)NCCNC(=O)c2ccccc2Cl)CC1=O 41396885 VOTSIFNTDQBWPX-NSHDSACASA-N 337.807 1.054 0 40 EDAB NC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 102916156 HLONVBNJKSBWDP-KBPBESRZSA-N 343.383 1.289 0 40 EDAB CCOc1ccc(CN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 54417667 YZUSEMPQYQRPOH-UHFFFAOYSA-N 327.388 1.687 0 40 EDAB Cc1cccc(CN2CCN(C(=O)CN3CSCC3=O)CC2)c1 23624902 XNTBFZSOBDAWIZ-UHFFFAOYSA-N 333.457 1.172 0 40 EDAB CC(C)CN1CCO[C@@H](CN2C(=O)c3ccccc3S2(=O)=O)C1 42754568 CXBUWSGKAPZCPQ-CYBMUJFWSA-N 338.429 1.188 0 40 EDAB COc1ccccc1COC[C@@H](O)CN1C(=O)NC2(CCCC2)C1=O 24094662 RUJOZVLPCBIBMI-AWEZNQCLSA-N 348.399 1.437 0 40 EDAB CC[C@@H](C)NC(=O)[C@H](C)Nc1ccc(N2CCCS2(=O)=O)cc1 42854928 INVIOROAEBGSSN-OLZOCXBDSA-N 339.461 1.942 0 40 EDAB COc1ccc(-n2nc3c(c2NC(=O)C2CC2)C[S@](=O)C3)cc1 212320 LHIAGXGPTNZUKQ-HSZRJFAPSA-N 331.397 1.992 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)C1 24954932 TYPNHRFNPJRYAP-STQMWFEESA-N 349.456 1.944 0 40 EDAB Cn1cc(-c2nc(C(=O)Nc3ccnc4ccnn34)cs2)cn1 76641662 YPOGEADVXSEPEE-UHFFFAOYSA-N 325.357 1.839 0 40 EDAB CNC(=O)c1ccc(CN(C)S(=O)(=O)N2CCCCCC2)cc1 25147352 JDXLOYUIPHZSBD-UHFFFAOYSA-N 339.461 1.599 0 40 EDAB COC(=O)[C@@H](CCSC)NC(=O)CNC(=O)C1CCCCC1 3895783 QOLHXLXSJZBGMM-GFCCVEGCSA-N 330.450 1.094 0 40 EDAB Cc1ccnn1-c1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1 25834050 RUYAZQXWJPSTJB-UHFFFAOYSA-N 348.410 1.933 0 40 EDAB CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 6817830 DSCXNHVANJNKHU-UHFFFAOYSA-N 340.430 1.821 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)NCCNc1ncccc1C(F)(F)F 56991892 WZXVDPNXDMMOJD-GFCCVEGCSA-N 344.337 1.639 0 40 EDAB COc1cc([C@@H]2SCC(=O)Nc3[nH]ncc32)c(OC)c2c1OCO2 35324645 LOEFBSZILBCOPX-AWEZNQCLSA-N 349.368 1.930 0 40 EDAB CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1cnc(N(C)C)nc1)CC2 96000114 MMQQLGBBXUZTTM-NSHDSACASA-N 344.423 1.394 0 40 EDAB Cc1cccc(OC[C@@H](O)CN2C(=O)C[C@]3(CCSC3)C2=O)c1 58231097 ZKQZPMQDZCFCEI-GUYCJALGSA-N 335.425 1.617 0 40 EDAB CS(=O)(=O)c1nc(C(=O)NCc2ccsc2)c2ccccn12 58283124 PGMWEHYHVMIGHD-UHFFFAOYSA-N 335.410 1.729 0 40 EDAB Cc1csc(CCNC(=O)N2CCN(Cc3ccncc3)CC2)n1 44970648 OKTVASLTAYLKQZ-UHFFFAOYSA-N 345.472 1.916 0 40 EDAB O=C1COc2ccc(S(=O)(=O)N(Cc3ccco3)C3CC3)cc2N1 44907716 WMKRLIPTKSXLAD-UHFFFAOYSA-N 348.380 1.964 0 40 EDAB Cc1cc(CS(=O)(=O)CC(=O)N2c3ccccc3C[C@H]2C)on1 44909148 JPKXQCANWNVDKL-GFCCVEGCSA-N 334.397 1.876 0 40 EDAB CCCc1noc(CCC(=O)NCCC(=O)NCc2cccnc2)n1 58325578 HLRHTLJLFMFGQY-UHFFFAOYSA-N 345.403 1.172 0 40 EDAB Cc1nccc(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)n1 58379626 KUGMVLYOBAPCBG-UHFFFAOYSA-N 346.353 1.512 0 40 EDAB COCCn1nnnc1[C@H](C)N1CCN(c2ccccc2F)CC1 57613944 HWLRCHPKHGVLFS-ZDUSSCGKSA-N 334.399 1.342 0 40 EDAB CCO[C@@H](C)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 58404902 RMFIUMPULXUMPH-AWEZNQCLSA-N 348.443 1.770 0 40 EDAB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5O)N3[C@@H]1O 100068194 CJDRUOGAGYHKKD-KXOOAINCSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro Cc1cc(=O)c(C(=O)OCC(=O)OC(C)C)nn1-c1ccccc1F 28439944 ACIZXVXCSSXAKK-UHFFFAOYSA-N 348.330 1.788 0 40 EDAB Cc1nc(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cs1 45344256 GIMGEGUREKLNLF-GFCCVEGCSA-N 332.433 1.710 0 40 EDAB COc1ccc(OC)c(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 2463052 HJGQTCIBAYVXTP-PWSUYJOCSA-N 328.415 1.384 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CSc1nc(C)n[nH]1)CC2 11705716 VYKNDWQZWRMNLN-UHFFFAOYSA-N 348.428 1.807 0 40 EDAB C[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(F)c(Cl)c1 46035555 XLFYDMMYQNJXQQ-SNVBAGLBSA-N 336.816 1.478 0 40 EDAB CCn1c(=O)n(CC(=O)N[C@H]2CCN3CCCC[C@@H]23)c2ccccc21 60568094 WXIGODRSSOAZCE-GJZGRUSLSA-N 342.443 1.566 0 40 EDAB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)cn1 48280228 WBHXNJKOUFGCRT-CQSZACIVSA-N 333.436 1.335 0 40 EDAB CCn1cnnc1CNC(=O)C1CCN(c2ccc(Cl)cn2)CC1 47200711 OMROLPFARNSHEV-UHFFFAOYSA-N 348.838 1.879 0 40 EDAB C[C@H](C(=O)NC1CC1)N1CCN(c2ncccc2C(F)(F)F)CC1 47510378 XIHBBRVPFJSKSV-LLVKDONJSA-N 342.365 1.890 0 40 EDAB Cc1cccc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c1 3364082 KYCHRVLEVNJDGV-UHFFFAOYSA-N 339.355 1.845 0 40 EDAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(-c2ccccn2)no1 48300995 HJKGYRSFTCCURD-MRXNPFEDSA-N 349.394 1.805 0 40 EDAB Cc1ccc(O[C@H](C)CNC(=O)N2CCS(=O)(=O)C[C@H]2C)cc1 75307925 BENNZBNFMDDAHO-ZIAGYGMSSA-N 340.445 1.591 0 40 EDAB O=C(COc1ccccc1)NCC(=O)N1CC[C@@H](C2CCOCC2)C1 89845749 ZOJOCIXCNPCZHN-MRXNPFEDSA-N 346.427 1.457 0 40 EDAB Cn1ccnc1Sc1ccc(NC(=O)C(=O)NCCCO)cc1 48601886 BGLSMKBYXYQTJC-UHFFFAOYSA-N 334.401 1.008 0 40 EDAB C[C@](O)(CNS(=O)(=O)c1c[nH]c2ncccc12)c1ccsc1 89901340 XYCHDIUSLLCUHU-AWEZNQCLSA-N 337.426 1.810 0 40 EDAB COc1ccc(-c2n[nH]c(SCC(=O)N3CCNC3=O)n2)cc1 6141560 AAKNODWQYNLBTR-UHFFFAOYSA-N 333.373 1.124 0 40 EDAB Cc1nc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)sc1C 9365731 NMUISJWJLVNEKH-UHFFFAOYSA-N 336.417 1.953 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCNCC(F)(F)F)C2)n1 75604455 OKUZAWQCJDXBAI-GFCCVEGCSA-N 333.358 1.600 0 40 EDAB CC(=O)N1CCC(C(=O)NCCN2CCCc3ccccc32)CC1 65411673 RPQPRRDYYXNDNS-UHFFFAOYSA-N 329.444 1.814 0 40 EDAB COCCN1CC[C@@H](CNC(=O)CCc2cc(F)ccc2F)C1 65586792 TVJGSKQVXKELBB-ZDUSSCGKSA-N 326.387 1.982 0 40 EDAB O=C(CNS(=O)(=O)c1cccc(Cl)c1Cl)N1CCCC1 14134980 RWAMICPKQVMQOU-UHFFFAOYSA-N 337.228 1.894 0 40 EDAB CCn1c2ccccc2c2nnc(S[C@H](C)C(=O)NC(N)=O)nc21 5490651 LFDPXJMHAOYYND-MRVPVSSYSA-N 344.400 1.675 0 40 EDAB COc1cc([C@H]2CC(=O)Nc3c2c(O)nc2ncnn32)ccc1O 4625692 BBWFDYKWZYGGIS-MRVPVSSYSA-N 327.300 1.018 0 40 EDAB NC(=O)CC[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 66106705 BWSTUAYLBQASPF-IUODEOHRSA-N 347.390 1.435 0 40 EDAB CC[C@@H](C)NC(=O)CCNC(=O)N1CCn2c1nc1ccccc12 6662428 KCUIKIXFVLPUNO-GFCCVEGCSA-N 329.404 1.871 0 40 EDAB COc1cc(C[C@@H]2CC(CN3CCOCC3)=NO2)cc2c1OCO2 15085674 ATQJHMIFVGOXHZ-CQSZACIVSA-N 334.372 1.444 0 40 EDAB CCc1cc(CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)[nH]n1 96436524 JRDWBOPHBHYPAB-SFHVURJKSA-N 342.443 1.879 0 40 EDAB CCCCNC(=O)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 7131731 SVWSRJGJSQHGEJ-UHFFFAOYSA-N 338.408 1.113 0 40 EDAB C[C@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccc2c(c1)CCCC2 7459198 JZSDLCALQUNGLO-AWEZNQCLSA-N 343.471 1.940 0 40 EDAB CC1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1 15842434 GHIPQBZNMXWCGX-UHFFFAOYSA-N 336.413 1.625 0 40 EDAB C[C@H](Oc1cccc(Br)c1)C(=O)NCC[S@@](C)=O 76041478 YUQRQLZAJMJGKS-YYSFKGJASA-N 334.235 1.711 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(-n3cncn3)cc2)no1 15808910 ZNTLJVORDLUOEZ-LLVKDONJSA-N 341.327 1.748 0 40 EDAB Cc1ccc(OCC(=O)OCn2nnc3ccccc3c2=O)cc1C 7698970 HKPDXLKHTXHYNR-UHFFFAOYSA-N 339.351 1.988 0 40 EDAB Cc1nn(-c2ccccc2)nc1C(=O)NCc1nnc2ccccn12 7719194 WPJIGXVUBZIHFI-UHFFFAOYSA-N 333.355 1.548 0 40 EDAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3ccc(C(N)=O)cn3)C2)n1 71870908 ODASQFSEFNJKCR-AWEZNQCLSA-N 327.388 1.471 0 40 EDAB O=C(c1ccccn1)N1CCCN(Cc2nnsc2Cl)CC1 71826842 VKDHEOVBVBNOJV-UHFFFAOYSA-N 337.836 1.935 0 40 EDAB Cc1nnc([C@@H](C)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)o1 69010258 OHVMXSOQVUKBFG-LLVKDONJSA-N 340.387 1.773 0 40 EDAB CN(Cc1nnc(C2CC2)n1C)C[C@H]1CCCN1c1cccnn1 71860073 FBFPSOXFQZPPEO-CQSZACIVSA-N 327.436 1.583 0 40 EDAB CC(C)Cc1nc(CS(=O)(=O)c2nnc(C3CC3)n2C)no1 71808749 WPEQRHNUCQZHLM-UHFFFAOYSA-N 325.394 1.248 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)OCc2cc(C)no2)ccc1OC 8353179 WMCCHRFGTVNFJN-UHFFFAOYSA-N 340.357 1.257 0 40 EDAB CON(C)C[C@@H](O)Cn1cc(Nc2ncnc3cc(F)ccc23)cn1 71915174 WEEIWYDADBEXBH-CYBMUJFWSA-N 346.366 1.563 0 40 EDAB CCOC(=O)NCCC(=O)OCCCOc1cncc(Cl)n1 69414338 IUPQDJQGNIHDNP-UHFFFAOYSA-N 331.756 1.578 0 40 EDAB CC[C@H](C)[C@](C)(O)CNC(=O)CCN1C(=O)c2ccc(C)cc2C1=O 71916770 WJERDDGUMJYFFN-ORAYPTAESA-N 346.427 1.894 0 40 EDAB COC(=O)CNC(=O)c1ccc(NC(=O)N2CCC[C@@H](OC)C2)cc1 69538350 ILYSVUWHJOMNEI-CQSZACIVSA-N 349.387 1.232 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@H]1Oc3ccccc3O[C@H]1C)C2 69653619 XHZHJRLMLLHECL-ZBEGNZNMSA-N 328.372 1.411 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@](CC)(c2ccccc2)C1=O 8502832 PGLOJZUOZFOSKM-MRXNPFEDSA-N 328.376 1.440 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1 17859200 QKZZHCCPZUOANL-UHFFFAOYSA-N 347.392 1.791 0 40 EDAB CCCN(C[C@H]1CCCCO1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O 69775453 AFVKSTDJGLVEBZ-CABCVRRESA-N 346.493 1.608 0 40 EDAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C)nn1C 69775339 FGAWDAIPSQDHHW-HNNXBMFYSA-N 340.383 1.724 0 40 EDAB C[C@@H]1CN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)[C@H](C)CO1 69843430 GVUGWMVLSTZNAZ-VXGBXAGGSA-N 330.388 1.319 0 40 EDAB CN(CC(=O)N1CCO[C@H](c2ccccc2Cl)C1)S(C)(=O)=O 69897514 LYDVSBSGWMKQBC-ZDUSSCGKSA-N 346.836 1.131 0 40 EDAB CN1CC[C@@H](C(=O)NC2CCN(Cc3cccs3)CC2)CC1=O 95956389 VVLCZKZSUPEIID-CYBMUJFWSA-N 335.473 1.697 0 40 EDAB CCCn1nc(C)c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1C 95982403 UQUMAEOKAIGTRM-KRWDZBQOSA-N 348.491 1.981 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NC(C1CC1)C1CC1 69927152 TYMVPDSYIJPUQS-DLBZAZTESA-N 333.476 1.767 0 40 EDAB CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(C[C@H](C)O)CC1 69975499 HHJRSJFOKWPUMA-FUHWJXTLSA-N 333.476 1.595 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)[C@@H]1COc3ccccc3O1)C2 69970011 FKEVCFDDJMZYOJ-INIZCTEOSA-N 340.383 1.633 0 40 EDAB CC(=O)N1CCN([C@H]2CN(CCOc3ccccc3)C[C@@H]2C)CC1 76055709 QWFGWZJIPCRYDN-LPHOPBHVSA-N 331.460 1.550 0 40 EDAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 8935943 FHGBNXZFHQTDLC-ZDUSSCGKSA-N 325.390 1.008 0 40 EDAB CCN1C(=S)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]21 8993643 KJICILMITGQIRS-VXGBXAGGSA-N 330.862 1.932 0 40 EDAB O=C(Nc1nccs1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9059634 XQLLAFRLPQWEKX-VIFPVBQESA-N 329.389 1.665 0 40 EDAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)n1 71284483 BNOJIRMBDNMJAK-STQMWFEESA-N 343.387 1.883 0 40 EDAB CN1CCN(CCCN(C)C(=O)NC[C@H]2CCc3ccccc32)CC1 95996434 ZGJVEASHTBJHLX-GOSISDBHSA-N 344.503 1.995 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(C[C@@H]3CCCO3)CC2)c(C)s1 72271201 PZDCXJJKEQITRI-AWEZNQCLSA-N 344.502 1.850 0 40 EDAB COC[C@@H]1CN(C(=O)c2ccnc(N3CCCC[C@H]3C)c2)CCO1 72295782 NFELPJQQKNSVIB-ZBFHGGJFSA-N 333.432 1.948 0 40 EDAB CCN(C)c1ccc(C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)cc1 72275311 PFJYOLBYNWPNNP-UHFFFAOYSA-N 338.367 1.925 0 40 EDAB COc1cc(F)ccc1NC(=O)CCn1nc2ccccn2c1=O 89426765 LHQDATKENYDJFG-UHFFFAOYSA-N 330.319 1.673 0 40 EDAB O=C(N[C@H]1CCc2nccn2C1)[C@H]1CC(=O)N(Cc2ccccc2)C1 97197825 AILHSVITMCHJHP-HOTGVXAUSA-N 338.411 1.363 0 40 EDAB COC(=O)N[C@H](C(=O)N1CC[C@@H](CN(C)CC2CC2)C1)C(C)C 72307170 OOCKARLIWYVHNI-GJZGRUSLSA-N 325.453 1.557 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2Cc3cccc(F)c3O2)C[C@@H]1N1CCOCC1 72300399 SMMBJIHSQQOTIS-KCXAZCMYSA-N 334.391 1.308 0 40 EDAB Cc1cc(=O)c(OCC(=O)N2CCO[C@@H](c3ccccc3)C2)co1 72401419 ZUHSGBGNPKRJTP-MRXNPFEDSA-N 329.352 1.927 0 40 EDAB CC(C)Oc1ccc2nnc(CCC(=O)N3CCCN(C)CC3)n2n1 72402964 IDNLMQJWXLWKAP-UHFFFAOYSA-N 346.435 1.008 0 40 EDAB Cc1noc2nc(C(C)C)cc(C(=O)OCc3nc(N)nc(N)n3)c12 9949996 JTZHFXKAWUACMB-UHFFFAOYSA-N 343.347 1.361 0 40 EDAB CCN(C[C@H]1CN(Cc2nc(C)c(C)o2)CCO1)c1cccnn1 84774679 SWNHSPNOJSPUCD-OAHLLOKOSA-N 331.420 1.809 0 40 EDAB CC(C)n1cnc(S(=O)(=O)Nc2ccn(Cc3ccccn3)n2)c1 95435893 SFYDCEINNYOXRJ-UHFFFAOYSA-N 346.416 1.905 0 40 EDAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(O)c(S(N)(=O)=O)c2)n1 95444603 LSLBRHTZSVXZJP-SNVBAGLBSA-N 338.389 1.053 0 40 EDAB CN1CCCN(S(=O)(=O)c2ccc(Br)cn2)CC1 95459443 FBIDIRPXWOOUID-UHFFFAOYSA-N 334.239 1.170 0 40 EDAB CN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)C1CCCCCC1 29167315 SEWPFYIBCIVEJE-KRWDZBQOSA-N 345.443 1.921 0 40 EDAB COCC(=O)N1CC2(C[C@@H](COCc3ccccn3)CCN2C)C1 306123379 ALTWRQVVGRVDJF-HNNXBMFYSA-N 333.432 1.167 0 40 EDAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408607952 RDTIFEJCQSKBOG-ZDUSSCGKSA-N 340.445 1.621 0 40 EDAB COc1ccccc1N1C[C@@H](C(=O)NCCN2CCCCC2)CC1=O 39918169 SXFHHJRJXXGNKM-HNNXBMFYSA-N 345.443 1.650 0 40 EDAB CC(C)Cc1nnc(NC(=O)CN(C)c2nccn3cnnc23)s1 521398652 WOCAGTGOWWIANA-UHFFFAOYSA-N 346.420 1.249 0 40 EDAB CCCn1ncc(C)c1NC(=O)Cn1c(=O)n(CC)c2ncccc21 72346849 LVHCXRPDQXWUBY-UHFFFAOYSA-N 342.403 1.772 0 40 EDAB NC(=O)c1ccc(NC(=O)C2CCN(CC(F)(F)F)CC2)cc1 32931988 GQPBUXFHCFQAAS-UHFFFAOYSA-N 329.322 1.998 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)Nc3ccon3)CC2)C1 183523433 MIDSILJLJMREPP-KBPBESRZSA-N 349.435 1.329 0 40 EDAB CN(C)c1nccc(N2CCC(NC(=O)c3cccnc3)CC2)n1 77214516 VCPAQDRGBNHVEE-UHFFFAOYSA-N 326.404 1.336 0 40 EDAB Nc1nc(S[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)n[nH]1 39383555 QXOFANYTPCOLSF-NWDGAFQWSA-N 333.417 1.516 0 40 EDAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCN1CCOCC1 30851823 URQGFGNBVSBGJS-CQSZACIVSA-N 326.824 1.946 0 40 EDAB O=C(Nc1cnc(N2CCOCC2)nc1)Nc1ccc2c(c1)OCO2 75161997 QTMKAPBPGACGGQ-UHFFFAOYSA-N 343.343 1.686 0 40 EDAB COc1ccccc1CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 32895594 MBGBGJRCAWSIHK-STQMWFEESA-N 328.434 1.181 0 40 EDAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)c2ccncc2)C1 72369552 OXVLLPYQIBFMQC-GFCCVEGCSA-N 334.401 1.228 0 40 EDAB COc1ccc(-c2n[nH]c(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)n2)cc1 71279761 DKSXKMUTHQAOCL-GHMZBOCLSA-N 330.344 1.776 0 40 EDAB COc1ccn2c(C(=O)N3CC4(CCC4)[C@@H]4COC[C@@H]43)cnc2c1 564861656 KQKQKOMCENUBBM-HIFRSBDPSA-N 327.384 1.984 0 40 EDAB COC(=O)C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(OC)cc1 44891486 FFFMEDUOOSQSQE-AWEZNQCLSA-N 330.340 1.418 0 40 EDAB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccccc2C)s1 223632234 KFYZTQGTXXCHTG-SECBINFHSA-N 340.430 1.844 0 40 EDAB CCn1c(C)nnc1CS(=O)(=O)c1n[nH]c(Cc2ccccc2)n1 195287214 DFZGJVCPARMYFY-UHFFFAOYSA-N 346.416 1.289 0 40 EDAB CN(C)c1ncccc1O[C@H]1CCN(c2ncnc3c2cnn3C)C1 225574798 PPJJSVXQULAEPB-LBPRGKRZSA-N 339.403 1.482 0 40 EDAB CC(C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1)=C1CCCC1 225480414 ZUSCDAOOSQUPPC-DOTOQJQBSA-N 333.476 1.984 0 40 EDAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCc1nnc2n1CCC2 81529441 RACRQVKPTNVARJ-CYBMUJFWSA-N 340.431 1.774 0 40 EDAB Cc1cc(-c2noc(CNC(=O)CNC(=O)c3ccccc3)n2)no1 225811471 ZGAAYWXINFGKMP-UHFFFAOYSA-N 341.327 1.079 0 40 EDAB Cc1nc(CS(=O)(=O)c2nc(-c3ccc4c(c3)CCC4)n[nH]2)no1 195210120 SQSQFQQQLIICAY-UHFFFAOYSA-N 345.384 1.626 0 40 EDAB CCCS(=O)(=O)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 96042141 NLTQUCVTOPMHTJ-SOUVJXGZSA-N 326.418 1.432 0 40 EDAB Cn1cc(N2CC[C@]3(CCN(C(=O)c4ccsc4)C3)C2=O)cn1 96050537 DKZVDFPCXMPLAX-INIZCTEOSA-N 330.413 1.751 0 40 EDAB O=C(NC1CC1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 96228206 AMPFBTCNWOSTTB-UHFFFAOYSA-N 328.416 1.911 0 40 EDAB O=C(Nc1nccn(C2CC2)c1=O)[C@H]1CC[C@@H](c2ccccc2)O1 585083676 FHZCWKBNFGULFI-LSDHHAIUSA-N 325.368 2.437 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)c1cc(Cl)c3c(c1)OCO3)CC2 97199126 QKPVYEOOSVXZGL-JTQLQIEISA-N 348.790 1.967 0 40 EDAB NC(C(=O)O)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 98090996 VPUGASIKRLVLGU-UHFFFAOYSA-N 341.319 1.209 0 40 EDAB CC(C)c1cc(C(=O)NCCN2CCOCC2)nc(N2CCCC2)n1 96101263 CSJYHNNQRFZTLL-UHFFFAOYSA-N 347.463 1.262 0 40 EDAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cccn3C)C2)o1 96108436 UKXXBORQINMEFQ-BEFAXECRSA-N 343.427 1.805 0 40 EDAB c1cc2nnc(C3CC3)n2nc1N1CCN(C[C@@H]2CCCO2)CC1 96453215 FDPFHUQRVXEVJC-AWEZNQCLSA-N 328.420 1.303 0 40 EDAB Cc1ccc(CN2CCC[C@]3(C[C@@H](OCC(=O)N(C)C)CO3)C2)o1 96206801 VGYHXYNTRVQWOE-AEFFLSMTSA-N 336.432 1.816 0 40 EDAB CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CN(C)CCO3)c2)CC1 96489268 KZCDIDUXZCHRTA-SFHVURJKSA-N 346.475 1.486 0 40 EDAB CN1C(=O)CC[C@@H](C(=O)NC2CC(F)(F)C2)[C@H]1c1cnn(C)c1 584328054 JLAYLIZUIGDMSS-DGCLKSJQSA-N 326.347 1.244 0 40 EDAB O=S1(=O)CC[C@H](NC[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 245228129 FZHKONYHLVEDDV-UXLLHSPISA-N 339.457 1.218 0 40 EDAB CO[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 247886003 RPOBEWCZWDEOPD-AWEZNQCLSA-N 329.356 1.212 0 40 EDAB CS(=O)(=O)N1CC[C@H](NC(=O)NCCc2cccc(Cl)c2)C1 582850477 VKIGSRKRLOBGCN-ZDUSSCGKSA-N 345.852 1.216 0 40 EDAB CC(=O)NCCc1ccc(S(=O)(=O)N2CC(OC(C)C)C2)s1 585139328 CSGSTMQVDGOSLB-UHFFFAOYSA-N 346.474 1.225 0 40 EDAB CS(=O)(=O)[C@@H]1CCC[C@H](NCc2scc3c2OCCO3)C1 585118683 YDIDWBGTTPZUBU-WDEREUQCSA-N 331.459 1.965 0 40 EDAB C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)C[C@@H]1CN(C)CCO1 585115744 QKXFJDHQFSIJKA-WFASDCNBSA-N 330.425 1.479 0 40 EDAB COC(=O)[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12CCOC2 585122201 QKNYTAGJEYVABT-URLQWDBASA-N 346.427 1.203 0 40 EDAB O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccsc3)C[C@@H]21)c1cnccn1 247362966 FFVWYMDKGRCBOP-IIAWOOMASA-N 344.440 1.415 0 40 EDAB COc1cc(C(=O)O)ccc1S(=O)(=O)N1CC2(C1)CC2(F)F 1599382520 YCKRFLWFEWSQBT-UHFFFAOYSA-N 333.312 1.423 0 40 EDAB Cn1ccc(C(=O)N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)n1 257287184 POWDOYJYISSVRN-RDJZCZTQSA-N 333.363 1.604 0 40 EDAB O=C(CN1CCCCCC1=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257333033 XZULZGLPVNROMX-GPMSIDNRSA-N 346.427 1.476 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NC[C@H](O)c1ccc2c(ccn2C)c1 252498161 QVPNGAHIHCBMKO-INIZCTEOSA-N 326.400 1.992 0 40 EDAB Cc1nc(CC(=O)N2CCOC[C@@H](Cc3cnccn3)C2)cs1 257279251 OFTMKESLHNYSHV-ZDUSSCGKSA-N 332.429 1.502 0 40 EDAB CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccc(F)cc1 257337074 YRGOQCPTVQIWTG-KRWDZBQOSA-N 328.347 1.493 0 40 EDAB CC(C)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C[C@H]1C(N)=O 257218995 DFEVOUPMNRLBIS-HNNXBMFYSA-N 332.379 1.327 0 40 EDAB Cc1cc(C)n(CC(=O)N2CCC(c3ccn4nccc4n3)CC2)n1 257284864 PEQOFWNZVBLQGZ-UHFFFAOYSA-N 338.415 1.949 0 40 EDAB CCc1noc(C)c1C(=O)N1CCO[C@H](c2cc(O)nc(C)n2)C1 257214692 CNBOFLYULWONMZ-ZDUSSCGKSA-N 332.360 1.563 0 40 EDAB Cn1nc(N)c2ccc([C@H]3CCCN(C(=O)C4(N)CCCC4)C3)nc21 257302890 SEVVIYWMRRDQQX-LBPRGKRZSA-N 342.447 1.528 0 40 EDAB O=C(O)COCC(=O)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 1608756290 HKJPEOISECFTSW-MRXNPFEDSA-N 343.326 1.338 0 40 EDAB CC[C@@H]1OC2(CCN(C(=O)C3(Nc4ccccc4)CC3)CC2)NC1=O 1615593024 XISDKVCRLDOSTA-HNNXBMFYSA-N 343.427 1.875 0 40 EDAB Nc1onc2c1CN(C(=O)COCc1nc3ccccc3s1)CC2 1615587363 YGIQFDXXCOOFDH-UHFFFAOYSA-N 344.396 1.968 0 40 EDAB O=C(NCCNS(=O)(=O)C1(Cl)CC1)c1c(F)cccc1F 1615606208 UYQSZGGCMFSQOP-UHFFFAOYSA-N 338.763 1.343 0 40 EDAB CNC(=O)C(C)(C)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1616041309 OHUVJYRMHWKYQZ-GFCCVEGCSA-N 327.469 1.994 0 40 EDAB CN(C)c1cc(NC(=O)C2CCN(CC(F)(F)F)CC2)ncn1 298807641 XLNLOIARKXWEOR-UHFFFAOYSA-N 331.342 1.755 0 40 EDAB CCOC[C@H]1Cc2c(ncn2C)CN1C(=O)c1ccc2c(c1)OCO2 585094919 UMGUHMCTVBHICP-CYBMUJFWSA-N 343.383 1.752 0 40 EDAB CCCn1nccc1C(=O)N1CCC[C@H](OC)[C@@H]1CCC(=O)NC 585277599 NJQFZKDVSVKAMQ-ZFWWWQNUSA-N 336.436 1.439 0 40 EDAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 585279269 VSPYTMLENYBMOJ-QGZVFWFLSA-N 334.372 1.302 0 40 EDAB Cc1cc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)OC2CCCC2)n(C)n1 585108883 BPHIMYAVADAIFL-HOTGVXAUSA-N 346.431 1.983 0 40 EDAB O=C(NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O)c1ccc(O)nc1 585283409 APAPMIAPRYBAHF-RGYTYGDFSA-N 346.358 1.875 0 40 EDAB O=C(/C=C/CN1CCOCC1)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 585292276 ZSCKYFWPHZMEHS-AXHCFYFUSA-N 344.455 1.327 0 40 EDAB O=C(NCC1CC1)[C@H]1CSCN1S(=O)(=O)c1ccccc1 65553930 YWTVUYUNUTZGKJ-CYBMUJFWSA-N 326.443 1.276 0 40 EDAB NC(=O)CCCNC(=O)c1nc(NCc2ccccc2)ncc1Cl 71800108 PDSGNOJEGZZEJQ-UHFFFAOYSA-N 347.806 1.737 0 40 EDAB CC(=O)N1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)CC1 44893616 ZOPXGGRDVTZPPQ-BQYQJAHWSA-N 339.399 1.030 0 40 EDAB NC(=O)CN1CCC(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 45056959 GKNGZVCGKQOPRY-GHMZBOCLSA-N 335.370 1.421 0 40 EDAB Cc1ccccc1NC(=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1775986146 XNLQGBJPCCWCDI-UHFFFAOYSA-N 329.335 1.805 0 40 EDAB C[C@@H]1CN(C(=O)CNc2ccccc2CS(C)(=O)=O)C[C@@H](C)O1 84705862 VVTCQUQGICARRZ-CHWSQXEVSA-N 340.445 1.279 0 40 EDAB O=C([C@@H]1CCCN1C(=O)c1cccc(Cl)n1)N1CCSCC1 79046687 MPJPLLWDPRZFQH-LBPRGKRZSA-N 339.848 1.915 0 40 EDAB O=C(c1ccc[nH]c1=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 30624373 DYSCFGGKTPIPDS-CYBMUJFWSA-N 341.415 1.713 0 40 EDAB Nc1ncnc2c1ncn2S(=O)(=O)c1cccc2cccnc12 5616521 HETZVWMPXHOHEB-UHFFFAOYSA-N 326.341 1.194 0 40 EDAB CCCc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1 11963906 CTWFQRUTVCPNFB-UHFFFAOYSA-N 346.456 1.940 0 40 EDAB COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(F)cc1 14153108 VAFIADITHFGYFM-UHFFFAOYSA-N 330.315 1.981 0 40 EDAB O=C1C[C@H](SCCO)C(=O)N1c1ccc(Br)cc1 17067624 IVJPAUXRAMYCGA-JTQLQIEISA-N 330.203 1.807 0 40 EDAB COc1cc(CN2CCc3nc(C)[nH]c(=O)c3CC2)cc(OC)c1 19286421 AZEFWMBWPOYMQV-UHFFFAOYSA-N 329.400 1.696 0 40 EDAB COc1ccccc1C(=O)N1CCc2nc([C@H]3CCNC3)ncc2C1 19568868 IICGBNCAHCAQDX-ZDUSSCGKSA-N 338.411 1.761 0 40 EDAB COC(=O)c1nn(C[C@@H](O)C(F)(F)F)c(C)c1Br 158356233 SFPNJWFNDSCIRC-RXMQYKEDSA-N 331.088 1.664 0 40 EDAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCCOC(C)C 14031495 PFWQXLHQJPYYGB-GFCCVEGCSA-N 325.434 1.520 0 40 EDAB CCc1cccc(C)c1NC(=O)C[C@@H](C(=O)O)N1CCN(C)CC1 22584992 XATWUIOGRXQCOP-HNNXBMFYSA-N 333.432 1.587 0 40 EDAB Cc1cc(C)c(NC(=O)C[C@@H](C(=O)O)N2CCN(C)CC2)c(C)c1 22585047 HVEREUBKYDVNKP-HNNXBMFYSA-N 333.432 1.641 0 40 EDAB Cc1cc(C)c(NC(=O)C[C@H](C(=O)O)N2CCN(C)CC2)c(C)c1 22585051 HVEREUBKYDVNKP-OAHLLOKOSA-N 333.432 1.641 0 40 EDAB Cc1cc(S(=O)(=O)Nc2ccc(=O)n(CCO)c2)sc1Cl 585119156 UISHFDNRYRDQAU-UHFFFAOYSA-N 348.833 1.665 0 40 EDAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 3605948 SKBMDBNLJOHXQV-CQSZACIVSA-N 343.427 1.989 0 40 EDAB O=C1CN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)c2ccccc2N1 21009761 RMYZCRFECSSHGF-UHFFFAOYSA-N 349.346 1.939 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)cc1 12944387 DHZSELOQINRYKY-UHFFFAOYSA-N 347.440 1.705 0 40 EDAB Cc1nc(N(C)CC2CN(c3ncc(Cl)cn3)C2)nc(O)c1F 1888859858 ACOPNWHUTGXVPO-UHFFFAOYSA-N 338.774 1.646 0 40 EDAB CCn1ccc(C(=O)N2CC[C@@H]3OCC(=O)N(C(C)C)C[C@H]3C2)n1 2037984469 BXHJUUDHGLUPBF-HIFRSBDPSA-N 334.420 1.001 0 40 EDAB Cn1nc(-c2ccccc2)cc1C(=O)N1CC(Nc2ncccn2)C1 253473021 RAUPHUMVRDQQPY-UHFFFAOYSA-N 334.383 1.814 0 40 EDAB O=C(CC1(O)CCC1)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 2056214984 PWIKZWAXWUSKOW-IRXDYDNUSA-N 345.443 1.188 0 40 EDAB O=C(c1cnn2ccccc12)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 1614937834 QSIFGXAJOKTTKH-MAUKXSAKSA-N 340.427 1.517 0 40 EDAB Cc1cc(N2CCN(Cc3ccncc3F)[C@H](C)C2)n2ncnc2n1 2086967251 QDYCUBPPGJVRJJ-CYBMUJFWSA-N 341.394 1.678 0 40 EDAB COc1cnccc1C(=O)N1CC[C@]2(C1)Cn1ccnc1CN2C 1565555689 NQARSJXDWOJSNE-QGZVFWFLSA-N 327.388 1.017 0 40 EDAB COc1ccccc1NC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 4941331 MIWGGAUNLKQDOY-ZDUSSCGKSA-N 348.399 1.826 0 40 EDAB O=C(Cn1c(-c2nnco2)cc2ccccc21)NC[C@@H]1CCCO1 13961924 NBUZBLXQJLOJOI-ZDUSSCGKSA-N 326.356 1.987 0 40 EDAB CCOC(=O)[C@H]1[C@@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 15083215 HUFGRJPXPTUJFX-DXCKQFNASA-N 334.347 1.873 0 40 EDAB CN(C)C(=O)C1(Nc2ccnn2C)CCN(Cc2ccco2)CC1 2055747516 DNKRUPKFMQYTND-UHFFFAOYSA-N 331.420 1.548 0 40 EDAB O=C(CN1CCN(c2ccccc2F)C1=O)NCCCn1ccnc1 49381104 KLUFUUSOPHHALY-UHFFFAOYSA-N 345.378 1.471 0 40 EDAB C[C@@H]1CN(c2ncccn2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 503843650 BSDZCQCQZGBZEA-QIIPPGSGSA-N 330.432 1.767 0 40 EDAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)C(=O)NC2=O 4263885 WEAYCKNGQSYEHW-UHFFFAOYSA-N 326.308 1.840 0 40 EDAB COc1cccc2cc(C(N)=O)/c(=N/c3cccc(C(N)=O)c3)oc12 5125370 DFOCNMKRUNGPRA-UZYVYHOESA-N 337.335 1.872 0 40 EDAB COc1ccccc1CNC(=O)NCc1ccc(S(N)(=O)=O)cc1 31035222 GCXLNRCHYSVNBX-UHFFFAOYSA-N 349.412 1.342 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)C1 40496939 ODLDYUVZFMGKMB-ZDUSSCGKSA-N 340.445 1.866 0 40 EDAB COc1ccc(COC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 100702643 ZYQUYJRJWOLSBU-OIISXLGYSA-N 345.395 1.524 0 40 EDAB COCCn1nc(C(=O)NC[C@H](C)N(C)c2ccccc2)ccc1=O 40534630 IMXQCJVPEPSJPZ-AWEZNQCLSA-N 344.415 1.144 0 40 EDAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCCNc1ncccn1 40513650 MITOPLNOZLXWCI-AWEZNQCLSA-N 339.399 1.596 0 40 EDAB CCc1ccccc1CNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101233223 QHEYZWGJIWDJTD-USJZOSNVSA-N 338.407 1.672 0 40 EDAB O=C1CCCN1c1ccc(NCCn2nc3ccccn3c2=O)cc1 32825135 CKVBNMYQEAXICG-UHFFFAOYSA-N 337.383 1.735 0 40 EDAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NOCc1ccccc1 102908957 LTTBJZLIALARPY-GASCZTMLSA-N 330.384 1.800 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)c1 103063979 RNSZBHDTXLAOGU-DFEHZGFQSA-N 338.407 1.727 0 40 EDAB COc1ccc(-n2c(=O)c3c4c(sc3n3nnnc23)CCC4)cc1 501693 LOOVXDBKOFAQQJ-UHFFFAOYSA-N 339.380 1.987 0 40 EDAB Cc1nc(CNCc2ccccc2S(=O)(=O)N(C)C)cs1 42206127 CRJZQEPDHSJJIH-UHFFFAOYSA-N 325.459 1.992 0 40 EDAB O=C(NCCCn1cccn1)Nc1cccnc1N1CCOCC1 54480070 OJIZKYAWTKYUSE-UHFFFAOYSA-N 330.392 1.327 0 40 EDAB Cc1cc(C)n(CCOC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n1 42777151 WWTNDBSYPGQSHL-UHFFFAOYSA-N 327.340 1.583 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 60885 XPDAYARHVAIRCS-UHFFFAOYSA-N 346.408 1.896 0 40 EDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(C)=O)c(OC)c1 324253 PNWYGDIEHFCMIH-OAHLLOKOSA-N 348.355 1.812 0 40 EDAB O=C(Cn1nnc(-c2ccccc2F)n1)OCC(=O)c1ccccc1 416944 VZQZSJDXWARDDK-UHFFFAOYSA-N 340.314 1.905 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)COc2cc(C)cc(C)c2)n1 568985 IKZWQDKPPBQILN-UHFFFAOYSA-N 348.432 1.592 0 40 EDAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cn(-c2ccccc2)nn1 43283377 GGEVMACXHVXYJE-OAHLLOKOSA-N 338.371 1.895 0 40 EDAB CNC(=O)[C@H]1CCCN(C(=O)c2cncc(Br)c2)C1 78625909 XRBXORYAGSGCCU-VIFPVBQESA-N 326.194 1.442 0 40 EDAB Cc1nnc(CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)o1 79035295 ZDLHPSVLQZRWMO-INIZCTEOSA-N 341.415 1.301 0 40 EDAB Cc1cc(=O)[nH]c([C@H](C)Sc2nnc(N3CCOCC3)s2)n1 79105156 PAZXARUDASNRAW-VIFPVBQESA-N 339.446 1.620 0 40 EDAB COc1cc(N(CCO)CCO)ccc1NC(=O)c1ccccc1 1701554 NRTHDZJWLZHSDN-UHFFFAOYSA-N 330.384 1.739 0 40 EDAB CNC(=O)CN1CCC(NC(=O)c2csc3c2CC[C@H](C)C3)CC1 25234280 KVPFKRGFKWBJSG-LBPRGKRZSA-N 349.500 1.813 0 40 EDAB CCCc1cc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)[nH]n1 25239643 SAPIDNSRIRQJMA-UHFFFAOYSA-N 336.417 1.664 0 40 EDAB C[C@H](NC(=O)C[S@](=O)[C@H](C)c1c(F)cccc1F)C(=O)N(C)C 95966729 UDQJGPUIJZTTQK-NJXJJXECSA-N 346.399 1.367 0 40 EDAB COc1ccc([C@@H](C(=O)Cc2ccccc2)N(CCO)CCO)cc1 6484413 MHYFVTITLGLIPK-FQEVSTJZSA-N 343.423 1.835 0 40 EDAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2ccncc2)N1)OCCCO4 8161087 KJKURJBBCXCCKN-OAHLLOKOSA-N 336.355 1.689 0 40 EDAB CN(C)[C@H](CNC(=O)CN1CSCC1=O)c1ccccc1Cl 27346370 KEJQEAHMBACEDU-CYBMUJFWSA-N 341.864 1.592 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2ccc(F)cc2)C1 44709381 NXOKVOSKKMJBGW-JSGCOSHPSA-N 327.377 1.160 0 40 EDAB CCN(CC(C)C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 58160909 VONZYSTUUKBSJN-UHFFFAOYSA-N 333.475 1.976 0 40 EDAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCN(c2cnccn2)CC1 44895650 QKSBHGWGPNYRKJ-UHFFFAOYSA-N 348.410 1.554 0 40 EDAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1CCN(c2cnccn2)CC1 27630804 XDMVPQPWEIXMRR-OAGGEKHMSA-N 331.464 1.682 0 40 EDAB O=C(CCCNC(=O)c1ccc(N2CCCC2)nc1)Nc1cn[nH]c1 95394930 LWAMNJICYXMDQI-UHFFFAOYSA-N 342.403 1.554 0 40 EDAB O=C1CN(C(=O)c2csnn2)CCN1Cc1ccc(Cl)cc1 95399409 GSSJBZUBRYFTIH-UHFFFAOYSA-N 336.804 1.676 0 40 EDAB CCC(CC)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 58222687 MAJCCSWFPIHZOY-KRWDZBQOSA-N 335.379 1.898 0 40 EDAB CC(C)N1CCN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC1 44909422 GQRYOIFGFLTNDH-UHFFFAOYSA-N 329.400 1.656 0 40 EDAB COc1ccccc1CNC(=O)NC1CCN(c2ncccn2)CC1 44948461 YQDIJRIONQNZTQ-UHFFFAOYSA-N 341.415 1.953 0 40 EDAB Cc1nnc(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)s1 44937008 RSYRJTHTXATVJZ-SNVBAGLBSA-N 348.432 1.788 0 40 EDAB C[C@H]1CCCN(CCNC(=O)Nc2ccc(N3CCOCC3)nc2)C1 48079916 UKOWJEFWKPDGEV-HNNXBMFYSA-N 347.463 1.772 0 40 EDAB Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)N1CCNC1=O 9752193 XQICEUDGSFJZMJ-UHFFFAOYSA-N 339.351 1.766 0 40 EDAB CCO[C@H](CC)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 58341105 KQGXMBNHJUPWMP-CYBMUJFWSA-N 348.852 1.550 0 40 EDAB O=S(=O)(NCc1ccc(N2CCCC2)nc1)N1CCCCCC1 28041039 DJZMQZBIVHLZRQ-UHFFFAOYSA-N 338.477 1.892 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)CC(=O)N1CCCCCCC1 58595963 KGPXBTWHPKDTGU-UHFFFAOYSA-N 328.434 1.999 0 40 EDAB COC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 28277199 DOMVNSOSQITBQB-NEPJUHHUSA-N 336.388 1.208 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCN(CC(=O)N2CCCC2)CC1 36383676 JVTKGUYBIJJBDS-UHFFFAOYSA-N 333.407 1.135 0 40 EDAB COc1ccccc1CC(=O)Nc1ccc(OC)c(-n2cnnn2)c1 36358337 DQFYFIIRKYBRIW-UHFFFAOYSA-N 339.355 1.861 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@H]2CSc3nc(N)cc(=O)n32)cc1 2353840 VOISGZBAZRPECV-SNVBAGLBSA-N 337.426 1.255 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H]3Cc4ccccc4O3)CCO2)n1 84630831 LARXYWVLBZEZHP-CABCVRRESA-N 342.399 1.832 0 40 EDAB CC(C)OC(=O)c1ccc(NC(=O)c2nc3ncccn3n2)cc1 36618813 UDPMMTQQCLWZFH-UHFFFAOYSA-N 325.328 1.942 0 40 EDAB Cc1ccccc1CCCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 84695321 LZBKPZGANLADOZ-QZTJIDSGSA-N 336.501 1.779 0 40 EDAB CC(=O)NCC1CCN(C(=O)NC[C@H]2Cc3ccccc3O2)CC1 46876412 GHSFJKIHTQYHEF-MRXNPFEDSA-N 331.416 1.548 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3c(C)noc3C)CC2)C1 47092009 XXLMGGQNVINVNZ-MRXNPFEDSA-N 348.447 1.194 0 40 EDAB COc1ccc(N2C(=O)[C@@H](CCSC)NC2=S)cc1CO 58162955 XYLVHALAGUJASW-LLVKDONJSA-N 326.443 1.530 0 40 EDAB COc1ccccc1C(=O)COC(=O)Cn1nnc2ccccc21 3239874 NUNIXDHWSJUFQU-UHFFFAOYSA-N 325.324 1.866 0 40 EDAB COC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 12778580 UXOYZHGTJYFPQF-LBPRGKRZSA-N 340.401 1.083 0 40 EDAB COc1ccc(CN2C(=O)C(=O)N(Cc3c(C)noc3C)C2=O)cc1 48353659 JEZCSDCDVXQZLK-UHFFFAOYSA-N 343.339 1.791 0 40 EDAB CCCOc1ccccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 48332657 ZZRQCVHWMPDZNQ-LBPRGKRZSA-N 327.402 1.158 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)NC(=O)NC2=O 48334002 XDKJWLQAMNVBEB-UHFFFAOYSA-N 337.763 1.163 0 40 EDAB CCc1nnc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)s1 48345197 CAFMXTKPBKOJIK-NSHDSACASA-N 349.338 1.613 0 40 EDAB COc1cc(CN[C@@H]2CCCN(c3ncccn3)C2)cc2c1OCO2 48375449 CUNJIYFEBWMVPF-CQSZACIVSA-N 342.399 1.973 0 40 EDAB Cc1ccc2cc(CNCCCN3CCOCC3)c(=O)[nH]c2c1C 28641069 OUXIYNIACYHAQE-UHFFFAOYSA-N 329.444 1.957 0 40 EDAB COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C(=O)O)cc1 13070321 MGBWLAQWBYACLW-GFCCVEGCSA-N 329.374 1.251 0 40 EDAB COC(=O)[C@@H]1C[C@H](O)CN1CCCc1ccccc1Br 96009769 CEXNPAHEOYJBCL-JSGCOSHPSA-N 342.233 1.990 0 40 EDAB CCOc1ncccc1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 65539809 OFCWWJWQCVBPOK-HNNXBMFYSA-N 346.431 1.035 0 40 EDAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCCN(CC(N)=O)CC1 65534059 MWECLIVAGJSAAU-UHFFFAOYSA-N 342.399 1.283 0 40 EDAB CN1CCO[C@@H](CNCc2ccccc2OCC(=O)N2CCCC2)C1 65611125 HAPFXDZPUBGZOR-KRWDZBQOSA-N 347.459 1.108 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c1C 9455729 HMVRLBCQQWCLPL-NSHDSACASA-N 349.387 1.567 0 40 EDAB CCCCN(CC(=O)NC(=O)NCC)S(=O)(=O)c1ccccc1 6650717 QZWIISQBIPDJAC-UHFFFAOYSA-N 341.433 1.323 0 40 EDAB Cc1ccsc1C(=O)NCCS(=O)(=O)N1CCSCC1 71884344 NGJPHJNDQXHEFA-UHFFFAOYSA-N 334.488 1.165 0 40 EDAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccncc2)CC1 71820815 ONTDZRTXEKEXIP-UHFFFAOYSA-N 339.395 1.697 0 40 EDAB Cc1cc(C)n(C[C@@H]2CCCN2CC(=O)Nc2nnc(C)s2)n1 71876078 KBVTYEAIVYTKKK-ZDUSSCGKSA-N 334.449 1.763 0 40 EDAB Cn1c(=O)[nH]c2cc(C(=O)N3CCCC[C@@H]3Cn3cccn3)ccc21 71865345 SLFJMIJONNWRNU-CQSZACIVSA-N 339.399 1.758 0 40 EDAB Cc1ccc(CNC(=O)NCCCN2CCC[C@H](C(N)=O)C2)s1 71856620 QBLUWYQLJNIROP-ZDUSSCGKSA-N 338.477 1.443 0 40 EDAB C[C@H](C(=O)NCCc1n[nH]c(=O)[nH]1)c1ccc(Br)cc1 95452506 NDQLQXUVSNEJHJ-QMMMGPOBSA-N 339.193 1.323 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)NCCCNc1ccccc1 68509094 KXZZWURLMWEMDD-UHFFFAOYSA-N 337.383 1.410 0 40 EDAB Cc1ccccc1OCC(=O)NCCCNC(=O)c1cnccn1 7871484 UHYUSNGRQPHNNJ-UHFFFAOYSA-N 328.372 1.100 0 40 EDAB CN1CC(=O)N(CCCC(=O)N2CC=C(c3ccccc3)CC2)C1=O 71927881 JARYQNQJNAFHGK-UHFFFAOYSA-N 341.411 1.977 0 40 EDAB O=C([C@@H]1CCCN1c1ccnc(-c2ccccc2)n1)N1CCOCC1 71904080 XWVOZGRZXXBTMJ-INIZCTEOSA-N 338.411 1.971 0 40 EDAB Cc1cc(C)n(-c2cncc(N3CCC(c4nncn4C)CC3)n2)n1 71924478 DOTJJDXQSNXGFY-UHFFFAOYSA-N 338.419 1.792 0 40 EDAB O=C(Nc1cccc(CNS(=O)(=O)N2CCCC2)c1)c1ccco1 69451792 XEAKSUAWQIXHJZ-UHFFFAOYSA-N 349.412 1.962 0 40 EDAB O=C(Nc1cnn(CCO)c1)Nc1nncc(-c2ccccc2)n1 69568113 HYNCUMPDXRIECB-UHFFFAOYSA-N 325.332 1.371 0 40 EDAB COC(=O)c1ccc(N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)cc1 69620604 YKIXTOGNGKXDTP-ZDUSSCGKSA-N 342.399 1.558 0 40 EDAB O=C(C[C@@H]1CCCO1)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 69658662 QFJUTVMEIHQSBP-IRXDYDNUSA-N 330.428 1.905 0 40 EDAB COCCN(C)C[C@H]1CCCN1C(=O)c1cnc2c(c1)ncn2C 97050579 ARDHKZRSADIXRJ-CQSZACIVSA-N 331.420 1.151 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 8502646 DTNSITDJNRUEEH-MRXNPFEDSA-N 328.376 1.359 0 40 EDAB O=C(c1cn[nH]n1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 69703538 JZIFVXCBHZXBEQ-UHFFFAOYSA-N 337.742 1.195 0 40 EDAB COCCOCC(=O)Nc1cc(F)ccc1N1CCN(C)CC1 69879395 KQBVOFXVFDYPLZ-UHFFFAOYSA-N 325.384 1.179 0 40 EDAB C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)Nc2ccccc2)CC1 69809141 YMSDWNBRLMXIKD-OAHLLOKOSA-N 346.431 1.083 0 40 EDAB CC(C)N1CC[C@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)C1 69898557 BIMUZNBDHWXEME-GJZGRUSLSA-N 339.505 1.677 0 40 EDAB Cc1nnc(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)s1 69848320 BILGTBQYVFREID-JTQLQIEISA-N 326.447 1.877 0 40 EDAB Nc1cc(=O)[nH]c(SCc2nnnn2-c2ccc(Cl)cc2)n1 8686925 ZLNNDOVKLAIOPC-UHFFFAOYSA-N 335.780 1.274 0 40 EDAB O=C(Nc1ccccn1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62022680 RJUQTCFAGOCGKC-UHFFFAOYSA-N 349.398 1.912 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CN1[C@@H](C)COC[C@@H]1C)CC2 72293997 BHTBMBCYTVZIKE-KBPBESRZSA-N 348.443 1.698 0 40 EDAB CN1CCN(C[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)O)CC1 71280894 NQCSVXMAVOQXNU-GFCCVEGCSA-N 339.823 1.617 0 40 EDAB COC(=O)[C@H]1COCCN1C(=O)CCCCOc1cccc(C)c1 72309267 XXVIJCVIYWJFMD-MRXNPFEDSA-N 335.400 1.945 0 40 EDAB Cc1cc2c(cc1C)O[C@H](C(=O)NCCc1nncn1C1CC1)C2 72302881 DMWQSSMFOORPFD-INIZCTEOSA-N 326.400 1.892 0 40 EDAB CN1CCC(N(C)c2ccccc2CN[C@@H]2CCC(=O)N(C)C2)CC1 89375219 ORROYGNLADWPIL-QGZVFWFLSA-N 344.503 1.927 0 40 EDAB Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 89505805 YRRXTNFXKQZJOV-CYBMUJFWSA-N 346.397 1.970 0 40 EDAB Cc1nc(N2CCN(C(=O)N[C@H](C)Cn3cncn3)CC2)sc1C 89562531 FRRJDVLNWKQULS-LLVKDONJSA-N 349.464 1.272 0 40 EDAB Cn1nc(CC(=O)NC2(C(=O)O)CCCCC2)c2ccccc2c1=O 89741011 HSNSDOUENPVIPL-UHFFFAOYSA-N 343.383 1.380 0 40 EDAB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(COC(C)=O)C=C[C@H]3O2)cc1 409308894 ZCTKVONBELEJQR-ADAWSYLGSA-N 343.335 1.071 0 40 EDAB COc1ccc(C)cc1NC(=O)C(=O)N[C@@H]1COc2ccccc2O1 27298835 XXRMGCGSZCPTGW-INIZCTEOSA-N 342.351 1.856 0 40 EDAB O=C(NCC[C@H]1CN(c2ncccn2)Cc2ccnn21)c1cccnc1 306134757 NXMFALKIENKIDH-HNNXBMFYSA-N 349.398 1.450 0 40 EDAB COCC1(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CCC1 519654227 CXVNSZXGHVCLAG-GOEBONIOSA-N 334.464 1.736 0 40 EDAB CNC(=O)c1cc(O[C@@H]2CCCN(c3ccnc(C)n3)C2)ccn1 521398626 VFZOYMCPMQJMMP-CQSZACIVSA-N 327.388 1.587 0 40 EDAB C[C@]1(C(=O)O)CCCN1CC(=O)Nc1ccc2c(c1)OCCCO2 530210194 YZPHZUKKLWPKDD-QGZVFWFLSA-N 334.372 1.726 0 40 EDAB CC(C)COc1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 408709622 VMFGFADFHABMCO-UHFFFAOYSA-N 349.431 1.108 0 40 EDAB COc1cc2ncn(CCC(=O)NCCC(C)C)c(=O)c2cc1OC 32124035 ZDZRWTZDPKIQMB-UHFFFAOYSA-N 347.415 1.966 0 40 EDAB biogenic NC(=O)c1ccc([C@@H]2CN(C(=O)c3ccc(F)cc3)CCO2)nc1 72384577 WANGFNSLLFIYAY-HNNXBMFYSA-N 329.331 1.533 0 40 EDAB O=C(O)[C@H](CO)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 35648719 NJOAEFFRJVLQFL-UMYFRRCYSA-N 343.813 1.987 0 40 EDAB N[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218642511 IVQYEAGJOSKWRQ-IJEWVQPXSA-N 335.356 1.548 0 40 EDAB CCCNC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1OC 39985465 SAODSIMBHPEWLL-UHFFFAOYSA-N 328.434 1.540 0 40 EDAB CNc1cnc(C[C@@H]2COCCN(C(=O)c3ccccc3)C2)cn1 72388226 JSVRVXMFTYSWOB-AWEZNQCLSA-N 326.400 1.850 0 40 EDAB CC(C)n1cc(S(=O)(=O)NCc2nc3ccccc3n2C)cn1 72239188 GBYZHCRNWXTVDH-UHFFFAOYSA-N 333.417 1.829 0 40 EDAB Cn1cc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)C(=O)O)cn1 325404138 HZDFMBJULCOXCC-OAHLLOKOSA-N 349.412 1.403 0 40 EDAB CCc1noc(C2CCN(C(=O)c3nnc4ccccc4n3)CC2)n1 40714685 UHHLKUCNLVLUGQ-UHFFFAOYSA-N 338.371 1.990 0 40 EDAB O=C(Nc1nc(C(=O)N2CCN(c3ccccn3)CC2)co1)C1CC1 75157948 DXRMOTRESMCRNG-UHFFFAOYSA-N 341.371 1.381 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ncnn1C 86188954 HNVHZHFOCWMIMS-UHFFFAOYSA-N 349.460 1.910 0 40 EDAB CC[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1OC 41096268 ILAXYLHVNINEKZ-SECBINFHSA-N 338.223 1.507 0 40 EDAB Cc1cc(O)nc2cc(C(=O)N3CC(OCC(=O)N(C)C)C3)ccc12 572231249 DQCCEYZILZVVOB-UHFFFAOYSA-N 343.383 1.178 0 40 EDAB CC(C)n1cnc(S(=O)(=O)NC[C@H]2Cc3ccccc3CO2)c1 225787235 PNWDRWSAEPYKHJ-OAHLLOKOSA-N 335.429 1.884 0 40 EDAB O=C1[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1C[C@@H](O)C(F)(F)F 195564194 YCABOBLYACBKHH-JHJVBQTASA-N 342.317 1.027 0 40 EDAB Cn1ncc2c(NC[C@@H]3CS(=O)(=O)c4ccccc4O3)ncnc21 576034173 OGMWUJHIUAQGFE-SNVBAGLBSA-N 345.384 1.010 0 40 EDAB CCS(=O)(=O)NCCCN[C@H]1CCCOc2cc(F)ccc21 195557639 JRXGSVJYCJWOMG-AWEZNQCLSA-N 330.425 1.958 0 40 EDAB CC(C)n1nc(COCCN(C)C)c2c1CN(C(=O)NC1CC1)CC2 96085018 TYKXUXYZUBZSSP-UHFFFAOYSA-N 349.479 1.772 0 40 EDAB O=C(c1cccnc1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96058166 UELSCECOOXCOGN-VYDXJSESSA-N 325.368 1.928 0 40 EDAB CCCOc1ccc(S(=O)(=O)NC[C@@H](C)O)cc1OCCC 95945993 HZGAZHRKRLHKTF-GFCCVEGCSA-N 331.434 1.923 0 40 EDAB Cn1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2ncccc2F)cn1 96041893 QYZWTTCZZVOWSZ-ARFHVFGLSA-N 332.379 1.765 0 40 EDAB Cc1cc2ccccc2nc1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 95428407 IPWCDJYBNWTYKS-INIZCTEOSA-N 345.468 1.852 0 40 EDAB CC(C)OC(=O)[C@@H]1[C@H](c2cccc(O)c2)c2c(O)n[nH]c2C[C@@]1(C)O 95101354 DNCJJLVEVNKBAQ-QIIPPGSGSA-N 346.383 1.828 0 40 EDAB CCc1nn(C)cc1CN1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 583617443 PPJCRCRFUIGGPM-KRWDZBQOSA-N 332.452 1.639 0 40 EDAB Cc1nc(CNC[C@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)cs1 96199172 HLVYAOVVEYMHSD-ZDUSSCGKSA-N 345.432 1.132 0 40 EDAB O=C(CCc1ccc2[nH]ccc2c1)N1CCC[C@@](O)(c2cnn[nH]2)C1 583617707 HKTYFICWFTYNBT-SFHVURJKSA-N 339.399 1.729 0 40 EDAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Cc2ccn(C)n2)cc1 583622891 BWDKEDPASPFGKG-MJGOQNOKSA-N 343.427 1.870 0 40 EDAB O=C(c1ccc[nH]1)N1CCCn2c(nc(CN3CCCC3)cc2=O)C1 96197570 HAOQAWYTQWPJLS-UHFFFAOYSA-N 341.415 1.213 0 40 EDAB CCS(=O)(=O)N1CCC[C@]2(COCCN(c3ccccn3)C2)C1 96229067 RCGCWUGCDMNOHJ-MRXNPFEDSA-N 339.461 1.350 0 40 EDAB COCCN1CCO[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]2C1 96249617 BGIKUCHIJBXTNH-HZPDHXFCSA-N 338.473 1.486 0 40 EDAB Cc1ccc2c(c1C)NC(=O)[C@@H]2CC(=O)N[C@@H](C)Cn1cncn1 95526423 LVQRXBSNLRYJEK-SMDDNHRTSA-N 327.388 1.526 0 40 EDAB O=C(NCCCn1ccnc1)c1nnn(Cc2ccccc2)c1Cl 96183317 UQOWFFMRVNFDTQ-UHFFFAOYSA-N 344.806 1.996 0 40 EDAB CCOc1cc([C@@H](N)c2n[nH]c(Cn3cccn3)n2)ccc1OC 95534411 KLJRMBAASLGSSU-OAHLLOKOSA-N 328.376 1.505 0 40 EDAB CN(C)C(=O)CN1CCC2(CCN(Cc3cccs3)CC2)C1=O 96046843 YPNKMBIETDEWBH-UHFFFAOYSA-N 335.473 1.651 0 40 EDAB Fc1ccc(CN2CCOC[C@]3(C[C@H](Cn4cnnc4)CO3)C2)cc1 96240627 IRVKFJCUNIBEPQ-AEFFLSMTSA-N 346.406 1.725 0 40 EDAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@H](C)Cn2ccnc2)C1 96420660 LRQQRDDUWQXLNP-HUUCEWRRSA-N 335.452 1.465 0 40 EDAB Cc1cnc(N2CCc3c(COCCN(C)C)cncc3C2)nc1 247969690 HELMFXXMGITUDY-UHFFFAOYSA-N 327.432 1.821 0 40 EDAB CC(=O)N1CCN(C(=O)c2cn(C)nc2C)C[C@@H]1c1ccccc1 257239365 HOYWXNFPDMPURK-QGZVFWFLSA-N 326.400 1.774 0 40 EDAB O=S(=O)(c1ccccc1)N1CCOC[C@H]1CCc1cnccn1 257225339 FFTOSPXULGDLJM-OAHLLOKOSA-N 333.413 1.499 0 40 EDAB CC(C)[C@@H](SCc1ccccc1)C(=O)N[C@H](CO)c1nncn1C 585127739 ICLSDXPCULVZCF-HUUCEWRRSA-N 348.472 1.923 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)CN(C)C 585115392 YKSGOCPQUXEMCV-IUODEOHRSA-N 342.509 1.778 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CN(CC(=O)N3CCCCC3)CCO2)n1 257291439 QGZBXRJBQZCRAY-SFHVURJKSA-N 346.475 1.842 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)c2cccc(COC)c2)CCO1 257275099 NNXCKHGYLHQFMX-HNNXBMFYSA-N 342.399 1.878 0 40 EDAB CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1(CO)CCSCC1 585121723 XKZIBFAQXUPMEK-NSHDSACASA-N 342.427 1.927 0 40 EDAB CC(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C(N)=O 257303408 SHCLKQQXUIPHBU-CYBMUJFWSA-N 330.215 1.511 0 40 EDAB COCCN1C(=O)CCC[C@H]2CN(S(=O)(=O)C(C)C)CC[C@H]21 257260031 LBBWFWCHXNWTLY-UONOGXRCSA-N 332.466 1.074 0 40 EDAB CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2CC(=O)N(C)C 257304386 SLJMURZPSHJSQD-BJLQDIEVSA-N 343.471 1.944 0 40 EDAB COc1ncccc1C(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1 257287041 POGIEHOSVZIYHQ-AWEZNQCLSA-N 342.399 1.541 0 40 EDAB CCN(CC)C(=O)N1CCN(C(=O)Cc2c(C)nn(C)c2C)CC1 26930408 UCMGRYCVUALPJQ-UHFFFAOYSA-N 335.452 1.185 0 40 EDAB CO[C@H](Nn1c(SC)nnc(C2CCCCC2)c1=O)C(=O)O 255186931 ACSKBUHBQFRMTI-JTQLQIEISA-N 328.394 1.009 0 40 EDAB Cc1nc(CC(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)cs1 257327426 XBHHQRSJZXUTGI-QGZVFWFLSA-N 346.456 1.537 0 40 EDAB CN(C)S(=O)(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1 255187777 GSIPSOSDDUYPDB-UHFFFAOYSA-N 340.426 1.688 0 40 EDAB Cc1cc(CC[C@@H]2CN(C(=O)Cc3cccnc3)CCO2)ncn1 257237927 HIVMHZWUKBKPPM-QGZVFWFLSA-N 326.400 1.583 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)c2cccnc2C)n1 257301419 RYJNPIVLOKDCJJ-MRXNPFEDSA-N 339.399 1.793 0 40 EDAB CN1C(=O)CO[C@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)CC[C@@H]21 257230009 GAJCLQXDYQJXHL-HOTGVXAUSA-N 345.374 1.769 0 40 EDAB Nc1cc(CC[C@H]2CN(C(=O)Cn3cc(Cl)cn3)CCO2)ccn1 257272281 NBTZVYZJCJGNEI-AWEZNQCLSA-N 349.822 1.374 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2N)C1 252535903 HDCAQWPZWXWGLB-JHJVBQTASA-N 349.397 1.763 0 40 EDAB CC(C)c1cc(C(=O)NC[C@]2(O)CCCN(c3ncccn3)C2)on1 257267495 MHNIXLOREHWFRJ-QGZVFWFLSA-N 345.403 1.349 0 40 EDAB Cc1cn(C)c([C@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)n1 257295366 QYAMSWGNYUHPRD-HNNXBMFYSA-N 332.448 1.837 0 40 EDAB CC[C@H]1CCCC[C@@H]1NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 65428860 ZKBXRNGQMXSCNG-FZMZJTMJSA-N 344.415 1.331 0 40 EDAB COCCC(=O)N1CCC(NC(=O)c2ccc(C(=O)O)cc2)CC1 262257110 DAWXSDFMOBFTOU-UHFFFAOYSA-N 334.372 1.142 0 40 EDAB Cc1ccncc1[C@@H]1CCN(C(=O)CN2CCCC[C@H](O)C2=O)C1 606444383 AKLAMNZXHPLPQD-ZBFHGGJFSA-N 331.416 1.079 0 40 EDAB COc1ccc(F)cc1S(=O)(=O)N[C@@H](CO)Cc1nccs1 1615586875 QOEVBZGMVOCCDJ-SNVBAGLBSA-N 346.405 1.173 0 40 EDAB CC(=O)N1CCN([C@@H](C)c2cnc(C)cn2)CCC12CCOCC2 1615551021 WFLGBOHPJRFTTH-HNNXBMFYSA-N 332.448 1.949 0 40 EDAB CC(C)c1ncncc1C(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2 1615548401 WVOODYVAMQUBNC-ZIAGYGMSSA-N 328.338 1.872 0 40 EDAB C[C@@H](NC(=O)c1cccc(-c2cnco2)c1)C(=O)N1CCOCC1 1615556565 WERMHZLBYBNZDU-GFCCVEGCSA-N 329.356 1.319 0 40 EDAB C/C=C/C(=O)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 1615581171 BFCCZVTUJMEBQT-DUXPYHPUSA-N 345.424 1.644 0 40 EDAB O=C(Nc1cnn([C@H]2CCOC2)c1)c1cccc(-n2cnnn2)c1 96122971 WFTJQXXABJSJAV-AWEZNQCLSA-N 325.332 1.073 0 40 EDAB Cc1nc(C(=O)NC[C@H]2CO[C@@H]3CN(C(=O)C4CCC4)C[C@H]23)cs1 575405544 UJDDDCDIFVZTOD-GZBFAFLISA-N 349.456 1.455 0 40 EDAB Cc1cccc(OC[C@]2(O)COCCN(Cc3cc(C)on3)C2)c1 585269506 XNHAPZRNKOSEAN-GOSISDBHSA-N 332.400 1.934 0 40 EDAB O=C(c1cncnc1)N1CCO[C@@](CO)(Cc2ccccc2F)C1 585277931 YYWHFSSVQFMMQR-KRWDZBQOSA-N 331.347 1.062 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn21 585095142 DVMCDQGTWIMQNZ-LBPRGKRZSA-N 329.360 1.082 0 40 EDAB Cc1nc(CN2CCN(C[C@H](O)COc3ccccc3)CC2)oc1C 69875284 GITRUJMMNGHFBS-KRWDZBQOSA-N 345.443 1.849 0 40 EDAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cnc2ccccc2n1 72310529 OZVNRFBREGTDNG-CYBMUJFWSA-N 334.401 1.382 0 40 EDAB Cc1cnc(CCNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CN)C2)nc1 952965121 YYLIFJPZROTGQW-NWDGAFQWSA-N 345.369 1.496 0 40 EDAB CS(=O)(=O)CCN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 58356461 NATLIRBSFRPBHD-UHFFFAOYSA-N 348.827 1.282 0 40 EDAB NC(=O)Cn1cc2c(n1)[C@H](NC(=O)c1cccc(Cl)c1)CCC2 96002856 SHUDMCMOJOSFKY-CYBMUJFWSA-N 332.791 1.829 0 40 EDAB Cc1c(F)cccc1S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 97012788 CUFSHTXTWAWIOX-CQSZACIVSA-N 339.392 1.630 0 40 EDAB C[C@@H]1CO[C@H](CO)CN1C[C@H]1CN(c2cccc(Cl)c2)C(=O)O1 585117284 XIKCUOGMKKVVOH-UGFHNGPFSA-N 340.807 1.747 0 40 EDAB O=C(Nc1ccc(I)cc1)N1CC[C@H](O)C1 97085175 JIZDBIGNKNRXPC-JTQLQIEISA-N 332.141 1.890 0 40 EDAB C[C](c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21 1560406175 GIWYFDDLIZAORV-UHFFFAOYSA-N 344.362 1.718 0 40 EDAB CCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(OC)cc2)n1 8053664 FLKKGTPGVUXBGW-RMKNXTFCSA-N 332.389 1.228 0 40 EDAB COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1OC 11859855 IYAZKECBAROYGG-XRGAULLZSA-N 329.352 1.185 0 40 EDAB CCc1nn(CC(=O)N2CCOCC2)c(=O)c2cc3ccsc3n12 12114256 NKCBHKFELVZXMF-UHFFFAOYSA-N 346.412 1.132 0 40 EDAB COc1ccccc1C[C@H](C)NC(=O)[C@@H](C)N1C(=O)NC(C)(C)C1=O 12196803 MTVGLRMLFFHOTO-NWDGAFQWSA-N 347.415 1.461 0 40 EDAB CCCS(=O)(=O)NCCCCCCNS(=O)(=O)CCC 168451739 IGCRHNQQQZDUHS-UHFFFAOYSA-N 328.500 1.206 0 40 EDAB C[C@@H]1CC(=O)C2=C(C1)[C@@H]1O[C@@H]1[C@]1(O)[C@@H]2C(=O)c2cccc(O)c2[C@H]1O 3914752 KALVKBCVJGXOKE-ZZOHTSFUSA-N 342.347 1.046 0 40 EDAB biogenic,in-vitro Cc1ccc2nc(C(=O)N3CCOC[C@H]3c3n[nH]cc3C)cn2c1 1848353874 GCWSKDFNELCVPS-AWEZNQCLSA-N 325.372 1.888 0 40 EDAB O=C([C@H]1CN(c2cc(C3CC3)ncn2)CCO1)N1CCSCC1 1888834302 XWFFXQIGVVSOPY-CQSZACIVSA-N 334.445 1.135 0 40 EDAB O=C(CN1CCN(C(=O)NCc2ccccc2)CC1)N1CCCCC1 25087933 WJHYEPGDXIMNKM-UHFFFAOYSA-N 344.459 1.526 0 40 EDAB CN1CC(=O)N(CC(=O)Nc2ccc(Br)cc2F)C1=O 2650988 LWWXVUNCLPUZHZ-UHFFFAOYSA-N 344.140 1.421 0 40 EDAB Cn1c(C(=O)N2CCn3c(-c4cccs4)cnc3C2)cccc1=O 1565556460 UFMWYLSAKBXREH-UHFFFAOYSA-N 340.408 1.966 0 40 EDAB O=C(CC1(O)CCC1)N1CCc2ncnc(-c3ccoc3)c2CC1 1565554399 YYVZXIOINHNMLI-UHFFFAOYSA-N 327.384 1.969 0 40 EDAB CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccccc1 4314898 LQUDJYAJJSGFMT-CYBMUJFWSA-N 326.352 1.941 0 40 EDAB O=C(NCCNC(=O)c1ccco1)c1ccc(NC(=O)C2CC2)cc1 13854765 KHQFZIOZBHLNKA-UHFFFAOYSA-N 341.367 1.788 0 40 EDAB CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(CC3CCCCC3)CC2)O1 2055794406 UCPYCMFCCAEOIP-INIZCTEOSA-N 346.475 1.899 0 40 EDAB Cn1cccc1[C@H](CNC(=O)NCc1ccccc1)N1CCOCC1 38676016 WRMZGMWOUYFFBH-SFHVURJKSA-N 342.443 1.898 0 40 EDAB COc1nc(CNC(=O)/C=C/c2cccs2)nc(N2CCCC2)n1 575605468 AULTUYJTWBSVHX-VOTSOKGWSA-N 345.428 1.872 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)CNC(=O)c3ccc(F)cc3)cc12 30805218 BXEWQPWNJOJZJI-UHFFFAOYSA-N 341.346 1.784 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cnc(-c2ccccc2)nc1 40476519 BQLFOKDTOWBXIH-CQSZACIVSA-N 346.412 1.506 0 40 EDAB CCOc1ccc2c(c1)C=C(C(=O)N1CCC(C(N)=O)CC1)CO2 40540149 LKJUGFXVFIAJQJ-UHFFFAOYSA-N 330.384 1.585 0 40 EDAB COc1ccc(-c2nc3s/c(=C\c4ccncc4)c(=O)n3n2)cc1 199634 IJAIIUOXKWPULB-UVTDQMKNSA-N 336.376 1.769 0 40 EDAB NC(=O)C1CCN(CC(=O)Nc2nc3c(s2)CCCCC3)CC1 51200099 XGNBQJONPCMISV-UHFFFAOYSA-N 336.461 1.548 0 40 EDAB Cc1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1 20662029 AUTFUHQLTPEGRP-UHFFFAOYSA-N 338.415 1.868 0 40 EDAB O=C(Nc1ncccn1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 21210219 SOIRMNPXBXGVJX-LLVKDONJSA-N 340.339 1.239 0 40 EDAB CN(C)C(=O)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 21307848 KRRZNVAPYUDSEV-UHFFFAOYSA-N 327.432 1.078 0 40 EDAB Cc1cccc(OCCNC(=O)CN2C(=O)N[C@H](C(C)C)C2=O)c1 21702109 OCOAIXAEZJGGTP-OAHLLOKOSA-N 333.388 1.066 0 40 EDAB COc1ccc(CCC(=O)NCCCN2CCOCC2)cc1OC 22688081 QEVPHJUSKSCBFU-UHFFFAOYSA-N 336.432 1.475 0 40 EDAB CN(Cc1ccncc1)C(=O)Cc1csc(N2CCCC2=O)n1 42393094 DKTVNOQDLXYLTA-UHFFFAOYSA-N 330.413 1.866 0 40 EDAB CN(C)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCOCC2)c1 23100380 RVEGYUQCDIRQPF-UHFFFAOYSA-N 328.390 1.008 0 40 EDAB Cc1ccc(OCCN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 54417905 AUPAQAHHDCYVMV-UHFFFAOYSA-N 327.388 1.476 0 40 EDAB NC(=O)c1ccccc1NCC(=O)NC[C@H]1COc2ccccc2O1 24225448 IOBGVNSYLKOJGF-LBPRGKRZSA-N 341.367 1.154 0 40 EDAB C[C@H]1CN(CCNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C[C@@H](C)O1 106039709 CHMOIATVYDSBOU-ZOWXZIJZSA-N 349.406 1.477 0 40 EDAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)CN(C)c1cnccn1 78771252 LNYLAEOYSGMIES-LBPRGKRZSA-N 348.838 1.972 0 40 EDAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CC(=O)NC1CC1 55427759 IFPZSOMVJYKKDR-UHFFFAOYSA-N 327.384 1.930 0 40 EDAB NC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cc(-c2ccccc2)nn1 95416842 GFHWBBAEDQRWDZ-INIZCTEOSA-N 349.394 1.158 0 40 EDAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC(C)C)cc1Cl 6762264 DPQADYOUGQKSPO-SNVBAGLBSA-N 348.852 1.788 0 40 EDAB CCc1nnc2ccc(NC[C@H]3CCN(CC(F)(F)F)C3)nn12 95410647 SLDMYXBODWWWRA-SNVBAGLBSA-N 328.342 1.983 0 40 EDAB CN1CCN(c2cc(CNC(=O)N(C)CC3CCC3)ccn2)CC1 89382756 ABZPYVFIPKOHBN-UHFFFAOYSA-N 331.464 1.775 0 40 EDAB O=C1COc2ccc(S(=O)(=O)N3CCOc4ccccc43)cc2N1 26824870 IDSNLOAKMNTOJY-UHFFFAOYSA-N 346.364 1.605 0 40 EDAB CCCOC(=O)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 58087425 CZAOXHHDZCJRFH-CYBMUJFWSA-N 340.401 1.562 0 40 EDAB Cc1ccc(CNC(=O)C2CCN(Cc3ncnn3C)CC2)cc1 177364612 HANMVGFXKORRQW-UHFFFAOYSA-N 327.432 1.652 0 40 EDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 44938195 IYKNIQUYNNNMSM-MRVPVSSYSA-N 345.804 1.651 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)c2ccccc21 75138438 GOPPKXXFXNNCHY-ZBFHGGJFSA-N 336.347 1.384 0 40 EDAB COCCNC(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O 2146493 HVCMDUJYSLSMKL-NSHDSACASA-N 334.397 1.500 0 40 EDAB COc1ccc(CCC(=O)N2CCCN([C@@H](C)C(N)=O)CC2)cc1 58344569 QPIWXBAOGQCKHH-AWEZNQCLSA-N 333.432 1.036 0 40 EDAB CCn1c(SCC(=O)c2ccc(O)cc2)nnc1N1CCOCC1 9497011 RXHLDRSTONQFLP-UHFFFAOYSA-N 348.428 1.815 0 40 EDAB CCOc1ccc2c(c1)CN(C(=O)C[C@H]1CCS(=O)(=O)C1)CC2 58342971 ILJZTCJTZLJBHH-CYBMUJFWSA-N 337.441 1.795 0 40 EDAB COc1cc(/C=C2\NC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1O 9579401 YQPKZWCHJMBJCH-ZWIPKHHJSA-N 334.397 1.637 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cn1 75124114 USBSXOCCZLBGQK-NXEZZACHSA-N 326.278 1.869 0 40 EDAB NS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2OCCO3)c1 58416845 AGOCYBBKJLLXPE-UHFFFAOYSA-N 348.380 1.035 0 40 EDAB COCCN1C[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1=O 45287189 KWXHYNUHQLUIGZ-OCCSQVGLSA-N 348.399 1.130 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)o1 48071449 DLIMZKRFTOTWPN-VXGBXAGGSA-N 326.418 1.840 0 40 EDAB CN(Cc1ccccn1)[C@H]1CO[C@]2(CCN(Cc3cncn3C)C2)C1 107226818 GUCJFYMYHMPERK-IEBWSBKVSA-N 341.459 1.681 0 40 EDAB O=C1NC(=O)C2(CCN(C(=O)Cc3ccc4c(c3)CCCC4)CC2)N1 28790813 FYKDTHVFWDQTGC-UHFFFAOYSA-N 341.411 1.309 0 40 EDAB COCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C 51318043 BCDJXDYDENOQPT-UHFFFAOYSA-N 339.193 1.714 0 40 EDAB NS(=O)(=O)[C@H]1CCCN(c2ncnc3sc4c(c23)CCC4)C1 36833468 SCXCYKIMFQYNKZ-VIFPVBQESA-N 338.458 1.437 0 40 EDAB Cc1ccn(-c2ccc(NC[C@@H]3CN(CC(C)C)CCO3)nn2)n1 89700732 RMEWYBFEGPKEDO-OAHLLOKOSA-N 330.436 1.739 0 40 EDAB COc1cc(CNC(=O)CC(F)(F)F)ccc1OCC(=O)N(C)C 46909403 ZBYBCTOSNSLBRQ-UHFFFAOYSA-N 348.321 1.731 0 40 EDAB Cn1cc(CN2[C@@H]3CC[C@@H]2Cn2c(nc4ccccc4c2=O)C3)cn1 100119088 FCPMPOKRPUKLGO-HUUCEWRRSA-N 335.411 1.719 0 40 EDAB Cc1cccnc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 48272265 BESJMEZTIJTFNC-CQSZACIVSA-N 347.396 1.556 0 40 EDAB COc1cc(CNC(=O)NCc2ccco2)ccc1OCC(N)=O 48261652 PIDFZXXJHDKBHF-UHFFFAOYSA-N 333.344 1.152 0 40 EDAB C[C@H](CNC(=O)N1CC[C@@H](Oc2cccnc2)C1)Cn1cccn1 89900819 XAZRZUBMWIAQPY-GDBMZVCRSA-N 329.404 1.777 0 40 EDAB CN1CCCN(C(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)CC1 67284366 APRWDYKSJXXYJK-UHFFFAOYSA-N 334.811 1.979 0 40 EDAB CCO[C@H]1C[C@H](NC(=O)Cn2ncc3ccccc3c2=O)C12CCC2 89985717 JADVKEYQFZYGQO-HOTGVXAUSA-N 341.411 1.860 0 40 EDAB Cc1cnc(NC(=O)c2cc(OCC(=O)N3CCCC3)n(C)n2)s1 57355796 QTAVNCAMBZWSSB-UHFFFAOYSA-N 349.416 1.439 0 40 EDAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)N1CCCCC1 48300556 JKHYLQYHNFLRHV-UHFFFAOYSA-N 349.412 1.094 0 40 EDAB CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccccc1Cl 12876035 VYYWHWWFATXNIB-LBPRGKRZSA-N 330.837 1.075 0 40 EDAB CCN(CCC(=O)O)S(=O)(=O)c1ccc(Br)cc1 38023485 BVNLIBKZROCWCK-UHFFFAOYSA-N 336.207 1.934 0 40 EDAB CCNC(=O)NC(=O)CNc1cccc(Cl)c1OCCOC 62639921 ITJZWDGFMCWAQI-UHFFFAOYSA-N 329.784 1.623 0 40 EDAB Cn1cc(CCNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cn1 48784706 NPLDIXRHKQHZNY-UHFFFAOYSA-N 325.372 1.871 0 40 EDAB NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(N)=O)cc1 13072565 YPRMLJUPLZABJU-UHFFFAOYSA-N 347.758 1.555 0 40 EDAB Cc1cccn2c(=O)c(C=O)c(N3CCC4(CC3)OCCO4)nc12 3882581 RCTRFTHTQPVVOI-UHFFFAOYSA-N 329.356 1.159 0 40 EDAB CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1CCNC1=O 5107764 SAJZEFXDBNKKJL-UHFFFAOYSA-N 341.367 1.814 0 40 EDAB CCCc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 65422325 NIJGHLMOSIXFEY-ZDUSSCGKSA-N 331.416 1.372 0 40 EDAB O=C(N[C@@H]1CCCc2c1cnn2CCO)N(C[C@H]1CCOC1)C1CC1 65428978 DSWNNWBTSBSRMH-CZUORRHYSA-N 348.447 1.463 0 40 EDAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCOC3)cc1 5346925 OSNQPWOKOXSFGF-UHFFFAOYSA-N 325.368 1.544 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCC[C@@H](n3cccn3)C2)c2ccccc21 65609595 ASSLBUMLIDIYAH-CQSZACIVSA-N 339.399 1.400 0 40 EDAB Cc1ccc2nc(CN(C)CC(=O)NCc3ccco3)cc(=O)n2c1 14167295 RZTREBKRCMJUMV-UHFFFAOYSA-N 340.383 1.344 0 40 EDAB Cc1ccc(C(=O)NCC(=O)OCC(=O)NCC(F)(F)F)s1 6603023 FNSZUGNLJXBYTR-UHFFFAOYSA-N 338.307 1.008 0 40 EDAB N[C@H](C(=O)O)[C@H](N)C(=O)OCC1c2ccccc2-c2ccccc21 64219215 HFJZGKNPUGRWBV-HOTGVXAUSA-N 326.352 1.081 0 40 EDAB O=C1CSCN1CC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 71799991 NBEIAOKHONAHQX-CYBMUJFWSA-N 340.832 1.773 0 40 EDAB Cc1ccc(Nc2nc(N)nc(CN3CCN(C)CC3)n2)cc1Cl 19899207 KCYQEVBVJAGUFV-UHFFFAOYSA-N 347.854 1.907 0 40 EDAB CCCNC(=O)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 80058027 KBVGXISJCXCICJ-NVXWUHKLSA-N 346.475 1.865 0 40 EDAB NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1F 28328325 UXUUFRSSOPKRMQ-MRXNPFEDSA-N 329.375 1.764 0 40 EDAB COCCN1CCC(CNC(=O)Cc2n[nH]c3ccccc23)CC1 89414275 DJGZHQGRVUXCIC-UHFFFAOYSA-N 330.432 1.580 0 40 EDAB CN1C[C@@H](C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CC1=O 71886320 UTYJOXBXEDJWSB-AAEUAGOBSA-N 336.363 1.800 0 40 EDAB COCCN(C(=O)[C@@H](C)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 71889114 QTECSODLYXATIK-GXTWGEPZSA-N 343.445 1.662 0 40 EDAB Cc1cccc(N2CCN(C(=O)CSc3n[nH]c(N)n3)CC2)c1C 7897246 SYRLXPMKUMMJMT-UHFFFAOYSA-N 346.460 1.445 0 40 EDAB O=C(NCCc1ccc(OC(F)F)cc1)N1CCS(=O)(=O)CC1 71803861 JTESKDRSMIJSMO-UHFFFAOYSA-N 348.371 1.271 0 40 EDAB C[C@H]1CN(CC(=O)N(C2=CCCCC2)C2CC2)CCN1C[C@@H](C)O 71877528 KTYIHCIZIFSZOM-JKSUJKDBSA-N 335.492 1.822 0 40 EDAB Cc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O 16400282 KTNBXWPJFNEHBA-QGZVFWFLSA-N 327.340 1.994 0 40 EDAB CN1C(=O)C[C@@H](C(=O)N[C@@H]2C=C[C@H](CO)C2)[C@H]1c1cccc(Cl)c1 81765967 BXRODMULZIDSMI-LDXOSZSPSA-N 348.830 1.913 0 40 EDAB Cc1cc(OCC(=O)OCC(=O)NC[C@@H]2CCCO2)ccc1Cl 8276865 MTHUDHKUXADFGZ-ZDUSSCGKSA-N 341.791 1.866 0 40 EDAB Cc1cnn(C2CN(CC(=O)NCCOc3ccc(F)cc3)C2)c1 70017722 LGHAVDAWBBUXKI-UHFFFAOYSA-N 332.379 1.383 0 40 EDAB CCn1cc(NC(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)cn1 91484491 LCHNTIDJCLGUQQ-UHFFFAOYSA-N 340.391 1.424 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@H](N2CCCC2)C1 69421382 SJYIQEFMWISLQH-INIZCTEOSA-N 326.404 1.363 0 40 EDAB C[C@H](Sc1nnnn1C1CCOCC1)C(=O)NC1CCCCC1 69594685 VZKIBLXZHXOODC-NSHDSACASA-N 339.465 1.954 0 40 EDAB CCOc1ncccc1C(=O)OCc1cc(=O)n2ccccc2n1 18035292 RKJHPIJQLUFERW-UHFFFAOYSA-N 325.324 1.845 0 40 EDAB O=C(O)C1CCN([C@H]2CC(=O)N(c3ccccc3Cl)C2=O)CC1 18063712 KKUNVSGKTAJTPK-ZDUSSCGKSA-N 336.775 1.769 0 40 EDAB CO[C@@H]1CCCN(C(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)C1 69918667 KIPGXZMBJRVYFO-OLZOCXBDSA-N 328.478 1.962 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 69980724 BZGVXXOUCSUPOI-YJBOKZPZSA-N 348.443 1.383 0 40 EDAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc2c(c1)OCCO2 8710687 RKGTVWOKNZIKNB-MRVPVSSYSA-N 347.400 1.532 0 40 EDAB Cc1ccc(Br)cc1C(=O)N(C)CC(C)(CO)CO 97079716 NGLNVDFXJXMZJG-UHFFFAOYSA-N 330.222 1.820 0 40 EDAB O=S(=O)(NCc1nccn1CCc1ccccc1)c1cccnc1 97052448 YELZFYRXSQYVEA-UHFFFAOYSA-N 342.424 1.999 0 40 EDAB O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCCc1cccs1 71185547 OHBHUJKXETYHSK-CQSZACIVSA-N 334.445 1.004 0 40 EDAB CC[C@@H]1CN(C)c2ccccc2CN1CCCN1C(=O)CNC1=O 88562613 MXLQIQQJCOJZIU-OAHLLOKOSA-N 330.432 1.659 0 40 EDAB COc1cc(C(=O)O[C@H](C)CN2CCOCC2)cc(OC)c1OC 19456379 UJWFQGRSIXAHQU-GFCCVEGCSA-N 339.388 1.590 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)s1 72234994 CTKOAYZWSWZQPV-LBPRGKRZSA-N 333.417 1.453 0 40 EDAB CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(CCCc2cnn(C)c2)C1 84259117 BMQDSVIDZZKOLI-KRWDZBQOSA-N 345.447 1.772 0 40 EDAB COc1ccccc1OCC(=O)Oc1cc(=O)n2cccc(C)c2n1 72427430 FCPHQEXLGCNWGN-UHFFFAOYSA-N 340.335 1.996 0 40 EDAB Cc1ccccc1C(=O)NCC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 95992897 IXANNFMRQJMGHF-HZPDHXFCSA-N 332.444 1.980 0 40 EDAB COc1cc(F)c(S(=O)(=O)NC[C@@H]2CCO[C@H](C)C2)cc1OC 95457559 LQBSDXHNJSBPMN-GHMZBOCLSA-N 347.408 1.936 0 40 EDAB O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1ccncc1F 95431022 NVOOIVSDEPDUIK-OAHLLOKOSA-N 329.375 1.370 0 40 EDAB COCCC(=O)N1CCC(Nc2ncc(Br)cn2)CC1 95425682 UAIUWACNXHBFOY-UHFFFAOYSA-N 343.225 1.679 0 40 EDAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1O 95450336 DQVZHORISLKLPM-TZMCWYRMSA-N 346.470 1.224 0 40 EDAB O=C(NCCc1ccccn1)N1CCC([C@H](O)C(F)(F)F)CC1 95419114 YCBSSHJHXTULTF-ZDUSSCGKSA-N 331.338 1.969 0 40 EDAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1nc2nccc(C)n2n1 25179477 XTQSUADFIDMTDS-UHFFFAOYSA-N 337.339 1.422 0 40 EDAB CCn1ccnc(N2CCC(NC(=O)[C@H]3C[C@@H]3C3CC3)CC2)c1=O 548349173 APZAITJIIGSIAW-CABCVRRESA-N 330.432 1.394 0 40 EDAB Cc1c(C(=O)N[C@@H]2CC(=O)N(C)C2)cnn1-c1ccccc1Cl 69700244 FYADFCJKFCJINX-LLVKDONJSA-N 332.791 1.795 0 40 EDAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(S(N)(=O)=O)cc1 32768392 RDHBMDPRGZPHNC-ZBEGNZNMSA-N 346.408 1.515 0 40 EDAB Cc1ccc(S(=O)(=O)N2CC[C@H](Sc3nnnn3C)C2)cc1 521395141 OVBOORKMZRXKBF-NSHDSACASA-N 339.446 1.074 0 40 EDAB COc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C)n1 3848734 CSLLNEGBOBCILO-UHFFFAOYSA-N 336.373 1.612 0 40 EDAB biogenic CC(=O)Nc1cccc(CN2CCN(Cc3noc(C)n3)CC2)c1 79311543 ZZGATTBHYQCMRH-UHFFFAOYSA-N 329.404 1.654 0 40 EDAB Cc1cccc(Nc2cc(C[C@@H]3CCCN(CC(N)=O)C3)ncn2)n1 72383605 HIJJWVGHWCUNID-AWEZNQCLSA-N 340.431 1.663 0 40 EDAB O=C(c1cnccn1)N1CCN(CCOC2CCCCCC2)CC1 77275257 QYUQLYBLMGOUAA-UHFFFAOYSA-N 332.448 1.974 0 40 EDAB CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@H]2CC23CCC3)CC1 1054795005 RQVAJIKWXPQDIE-BZUAXINKSA-N 349.475 1.352 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(C[C@H](O)c3cccc(F)c3)C2=O)cn1 72914590 CLCAQSATNXIHQA-HIFRSBDPSA-N 331.347 1.210 0 40 EDAB O=C(Nc1cccs1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238954158 XOUJKNFDSPIZDI-VXGBXAGGSA-N 331.397 1.915 0 40 EDAB Cc1ccc(S(=O)(=O)[C@@H]2C[C@]2(CN)NC(=O)OC(C)(C)C)cc1 217989616 APJBXMFIDGDCRU-CZUORRHYSA-N 340.445 1.763 0 40 EDAB CCc1nc(N2CCN(c3ccccn3)CC2)c2c(n1)c(C)nn2C 32501965 DXKMBEUMXUFHRX-UHFFFAOYSA-N 337.431 1.956 0 40 EDAB CN1CCn2c(nnc2C2CCN(C(=O)c3ccccc3)CC2)C1 72372097 ALBXVHJCDIVKHB-UHFFFAOYSA-N 325.416 1.743 0 40 EDAB N[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218642646 IVQYEAGJOSKWRQ-OFQRWUPVSA-N 335.356 1.548 0 40 EDAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCSCC2)cc1 36614627 CMKSJOLSWIBPKV-UHFFFAOYSA-N 326.443 1.551 0 40 EDAB Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)NC[C@@H](C)O)CC2)c1 47675184 QXIQXRULSRSSFZ-IAGOWNOFSA-N 348.491 1.576 0 40 EDAB 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FHJCMIABCTVYDC-QHSBEEBCSA-N 328.478 1.599 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 48230593 FUIVRBYGCGEVLS-CYBMUJFWSA-N 328.372 1.606 0 40 EDAB O=C(O)Cn1cc(NS(=O)(=O)c2ccc(F)cc2Cl)cn1 38030409 CGOHXDLYHQWZFY-UHFFFAOYSA-N 333.728 1.561 0 40 EDAB Cc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1S(N)(=O)=O 13317264 OJHKKRFUSCELOM-UHFFFAOYSA-N 348.380 1.271 0 40 EDAB O=C(c1ccoc1)N1CCN(Cn2cc(Br)cn2)CC1 49320099 FRRDECDNJOEWTK-UHFFFAOYSA-N 339.193 1.654 0 40 EDAB NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)C[C@@H]2C=CCC2)c1 65490773 LIXPZMYFZKSZGK-LLVKDONJSA-N 333.363 1.726 0 40 EDAB CCOCCN(Cc1nnnn1-c1ccccc1)C[C@H](C)C(=O)OC 65479455 OINHWPMRGPYFMU-AWEZNQCLSA-N 347.419 1.310 0 40 EDAB CCc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)cc1 65533959 QPPGXTYTNKPIHV-GOSISDBHSA-N 343.471 1.875 0 40 EDAB C[C@@H](C(=O)NCCCn1ccnc1)n1cc(Br)cn1 28224463 IXUYCMJBJDUWRD-JTQLQIEISA-N 326.198 1.610 0 40 EDAB NC(=O)N1CCC[C@@H](C(=O)NCCOc2ccc(F)c(F)c2)C1 71883361 JZLLQMAUJTUMRF-SNVBAGLBSA-N 327.331 1.251 0 40 EDAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)C1=O 71818711 GKBOHSWSLPGFCP-DYVFJYSZSA-N 330.388 1.399 0 40 EDAB CC(C)[C@H](C(=O)N1CCCN(c2nccs2)CC1)n1cncn1 71830862 RTNABZDEQFQMGY-CYBMUJFWSA-N 334.449 1.671 0 40 EDAB CC(C)[C@@H](NCC(F)(F)F)C(=O)N[C@H](C)C(=O)NC(C)(C)C 71922195 QTERDKDRDQAZEY-NXEZZACHSA-N 325.375 1.582 0 40 EDAB NS(=O)(=O)C[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 71907380 CBNCNHSBBMDVHX-LLVKDONJSA-N 325.459 1.797 0 40 EDAB C[C@H]1CN(c2ccc(NC(=O)NCC3(O)CCC3)cn2)C[C@H](C)O1 71915965 FNLHNWVERXZFSC-STQMWFEESA-N 334.420 1.732 0 40 EDAB O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccc2c(c1)OCCO2 4223169 YZHAPWLGJMKRMX-BFHYXJOUSA-N 345.399 1.186 0 40 EDAB NC(=O)Cn1cc(NC(=O)c2ccc3ccc(Cl)cc3n2)cn1 84083560 NRJBWMAXWKLAMA-UHFFFAOYSA-N 329.747 1.822 0 40 EDAB C[C@H](NC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1)[C@@H]1CCCO1 68414050 YHIHJJJYLYKFFF-RYQLBKOJSA-N 331.460 1.659 0 40 EDAB CN(C)CCN1C[C@H](C(=O)N2CC[C@H](Cc3ccccc3)C2)CC1=O 81444742 XLJSFRBQXLKWMT-QZTJIDSGSA-N 343.471 1.488 0 40 EDAB Cn1cc([C@H]2[C@H](C(=O)O)CC(=O)N2CCOc2cccc(F)c2)cn1 72275768 QWJYZLCIEKMIRP-ZBFHGGJFSA-N 347.346 1.612 0 40 EDAB CCc1nc2n(n1)C[C@H](NCc1csc(CC(=O)N(C)C)n1)CC2 72267460 BSRQGRWWGPFENA-LLVKDONJSA-N 348.476 1.032 0 40 EDAB CCN(CC)C(=O)[C@H](C)NC(=O)Nc1ccc(N2CCOCC2)nc1 69582626 MRDOBCLHMFLHOT-ZDUSSCGKSA-N 349.435 1.297 0 40 EDAB COc1ccc(-c2nc(CNC(=O)c3ccc(=O)n(C)c3)n[nH]2)cc1 69561083 UQRNEBOZRQZJKP-UHFFFAOYSA-N 339.355 1.109 0 40 EDAB Cc1ccc(F)c(-n2nnnc2CN2CCC[C@@H]2Cn2cncn2)c1 69597708 ONUFPSWXRBZPQN-CYBMUJFWSA-N 342.382 1.366 0 40 EDAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCCc2ccccc2)C1 69516879 JEFLQCSODCZUMC-NVXWUHKLSA-N 347.459 1.802 0 40 EDAB Cc1ccc(NC(=O)CCNC(=O)N2CCC3(CC2)OCCO3)nc1 69655748 LLEIAZWFPGTPEF-UHFFFAOYSA-N 348.403 1.267 0 40 EDAB C[C@H](NC(=O)NC1CCN(CCc2ccncc2)CC1)[C@H]1CCCO1 69700789 IISHIWGTJNMEEX-MAUKXSAKSA-N 346.475 1.955 0 40 EDAB CC(C)(C)c1cn2nc(N3CCO[C@@H](Cn4cncn4)C3)sc2n1 69814084 XWRAYQXMLBBHAV-LLVKDONJSA-N 347.448 1.585 0 40 EDAB CCOc1ccnc(N2CCN(CCOCC(F)(F)F)CC2)n1 69875071 ANFJTJCNWDXIEV-UHFFFAOYSA-N 334.342 1.576 0 40 EDAB C[C@H](CC(=O)N1CCCN(Cc2nccn2C)CC1)n1cccc1 69879891 WVONVSVNOYTENS-MRXNPFEDSA-N 329.448 1.907 0 40 EDAB c1ccc(-c2nc(CN3CCO[C@@H](Cn4cncn4)C3)co2)cc1 69810511 WSMDXIFLVWGGET-MRXNPFEDSA-N 325.372 1.834 0 40 EDAB Cc1ccccc1CN(C)C(=O)CN1CCC[C@@H](Cn2cncn2)C1 69923498 NGWVNAIICDFMCP-QGZVFWFLSA-N 341.459 1.957 0 40 EDAB Cc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)c(C)n1-c1cccnc1 69980744 LCNOENVWPPJCMY-OAHLLOKOSA-N 342.443 1.628 0 40 EDAB O=c1[nH]c2ccccc2nc1Cn1nc(-c2ccc(F)cc2)oc1=O 97201467 KQYBMOWMZFDUTC-UHFFFAOYSA-N 338.298 1.927 0 40 EDAB COc1ccc(-c2cnc(Cn3nc(C(N)=O)ccc3=O)o2)cc1 71185621 GYUOQGIQZSUKEZ-UHFFFAOYSA-N 326.312 1.054 0 40 EDAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC(C)C)c(Cl)c1 408527414 DMCUNBCZHPCVOB-UHFFFAOYSA-N 348.852 1.932 0 40 EDAB CC[C@@H](NC(=O)N1CCc2ccccc2CC1)C(=O)N1CCOCC1 84458481 GCIHNBPTBCFYFI-QGZVFWFLSA-N 345.443 1.434 0 40 EDAB CCc1ncc(CN(C)C[C@@H]2CCCN(S(C)(=O)=O)C2)s1 89296018 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O=C(NCCN1Cc2ccccc2OCC1=O)c1cc(C2CC2)n[nH]1 225770105 HHQQGDORHXNCOO-UHFFFAOYSA-N 340.383 1.438 0 40 EDAB CCOCC(=O)N1Cc2c(cnn2CC)[C@H](COc2cccnc2)C1 96044676 XONYPRMGFMTEGH-AWEZNQCLSA-N 344.415 1.839 0 40 EDAB CN(CCn1cnnc1)C(=O)CN1CCOc2ccc(Cl)cc21 96466468 XYNKSASGIYHURW-UHFFFAOYSA-N 335.795 1.289 0 40 EDAB COCC[C@H]1CO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 96072062 ZUGQOXDHLBGTKW-DYVFJYSZSA-N 330.388 1.387 0 40 EDAB CN1CCN([C@@H]2COC3(CCN(C(=O)c4ccncc4)CC3)C2)CC1 96048857 YSAKQKWVNIYJMU-KRWDZBQOSA-N 344.459 1.093 0 40 EDAB CN(C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1O 583651788 SOFRGUHGKPJZES-IJLUTSLNSA-N 336.379 1.323 0 40 EDAB CC(C)(C)OC(=O)N1[C@H](CN[C@@H]2C=C[C@H](CO)C2)COC1(C)C 583651872 VISUAAJUWNRMRC-BFHYXJOUSA-N 326.437 1.885 0 40 EDAB CO[C@@H]1C[C@@H](c2nncn2C)N(Cc2cnn(-c3ccccc3)n2)C1 583617640 UYFAAZKGBOJVBU-CVEARBPZSA-N 339.403 1.358 0 40 EDAB CNC(=O)c1cccc(N2CCC(CCN3CCOCC3)CC2)n1 95403138 BIDVADDSKPCBSA-UHFFFAOYSA-N 332.448 1.380 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(Cc2cccnc2)C1 96244403 OOKHIGWMXZLXRK-IBGZPJMESA-N 339.443 1.920 0 40 EDAB C[C@@H]1CCN(S(=O)(=O)N2CCC(OCCN3CCCC3)CC2)C1 537554641 CUZTUODAJQNKMQ-OAHLLOKOSA-N 345.509 1.150 0 40 EDAB O=C(Cn1cccn1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 96408180 DAYYSXOTJZXHOU-GFCCVEGCSA-N 336.342 1.880 0 40 EDAB CS(=O)(=O)N1CCC2(CC1)CO[C@H](COCC1CCOCC1)C2 96106075 ZPTFHKBOULCPSB-HNNXBMFYSA-N 347.477 1.260 0 40 EDAB COCCNC(=O)C[C@H]1OC[C@H]2CN(Cc3ccc(C)o3)CC[C@H]21 96207069 CSJPSXZAZRXFBT-DJIMGWMZSA-N 336.432 1.578 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccco1)C2 96039531 LTYGDNFTKVJDMB-FUHWJXTLSA-N 336.432 1.869 0 40 EDAB Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4cnn(C)c4)CCN3C2)n1 96110697 ZPBMFJWMBZOQNU-OALUTQOASA-N 341.459 1.599 0 40 EDAB CCCS(=O)(=O)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 97953686 JQGCIPXRKQWCRR-JYJNAYRXSA-N 340.445 1.570 0 40 EDAB Cn1ccnc1[C@H](NC(=O)CCCn1cnnn1)c1ccccc1 524733607 YDSUOWGTXNHROF-OAHLLOKOSA-N 325.376 1.093 0 40 EDAB Cc1nnc(C[C@@H]2C[C@H]3CN(C(=O)c4csc(C)n4)C[C@H]3O2)o1 96214920 HAZWOLLVLLJKTF-GMXVVIOVSA-N 334.401 1.615 0 40 EDAB O=C1C[C@H](c2ccccc2)C2(CCN(C(=O)N3CCOCC3)CC2)N1 96261182 FBQZGZVCZCWJLS-MRXNPFEDSA-N 343.427 1.577 0 40 EDAB O=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1cccs1 96099020 GPTOKRDZXFJRKC-UHFFFAOYSA-N 325.337 1.942 0 40 EDAB CCOC(=O)[C@]1(C)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230707 XEZKCNMSNGAXPL-APNQJHFZSA-N 334.347 1.023 0 40 EDAB COC[C@H]1CCS(=O)(=O)C12CN(Cc1cccc3[nH]ccc13)C2 247897959 VFFSTDWXJKWSIA-CQSZACIVSA-N 334.441 1.803 0 40 EDAB CCOC[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@H]1c1cnn(C)c1 585655513 AWRDRNPGWQWHQK-KBPBESRZSA-N 334.424 1.121 0 40 EDAB O=C(N[C@@H]1CN(CCOc2ccc(F)cc2)C[C@H]1O)c1ccccn1 257227991 FRXBZMZRBFKDMW-IAGOWNOFSA-N 345.374 1.075 0 40 EDAB Cc1ccc(CC(=O)NC[C@]2(O)CCN(c3cnccn3)C2)s1 257311901 ULMOKEQUJVALCD-MRXNPFEDSA-N 332.429 1.147 0 40 EDAB CC(=O)N1CCN(CCNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 64656464 SSGDPGNWNCKVMJ-IRXDYDNUSA-N 349.862 1.724 0 40 EDAB COCC(=O)N1CC[C@H](Cc2cncc(-c3cnc(C)n3C)n2)C1 257224887 FDVCQKCXRAMRKK-CYBMUJFWSA-N 329.404 1.223 0 40 EDAB Cn1cc(CN2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 257207606 BILUULUKDFLQLO-IAGOWNOFSA-N 326.400 1.032 0 40 EDAB CC(C)n1nnnc1-c1ccccc1NC(=O)N1CC[C@@H](C(=O)O)C1 262998128 FQOJKBDLWAQVHT-LLVKDONJSA-N 344.375 1.859 0 40 EDAB COCc1cccc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c1 262497324 HGOSIGQBWZHBON-UHFFFAOYSA-N 348.399 1.228 0 40 EDAB COc1cc(F)c(S(=O)(=O)N(C)[C@H](CO)C(C)(C)C)cc1OC 269699006 MCBDAITWMATENK-CQSZACIVSA-N 349.424 1.870 0 40 EDAB CC1=CCCN(S(=O)(=O)c2cccc(N3CCC(O)CC3)n2)C1 1615053440 SUYKOSAQWKPJIG-UHFFFAOYSA-N 337.445 1.383 0 40 EDAB Nc1cc(CCNC(=O)c2ccc(N3CCOCC3)cc2)ccn1 1615055881 FCANBTMNYPWWDA-UHFFFAOYSA-N 326.400 1.473 0 40 EDAB O=C(CCCn1nnc(-c2ccccc2)n1)N1CCC[C@@H](CO)CC1 1615539754 KXICOOUPXUGDFT-OAHLLOKOSA-N 343.431 1.741 0 40 EDAB O=C1C[C@@H](c2noc(C3(n4cnnn4)CC3)n2)CN1c1ccccc1 1615551004 NNESYTCAVAAWJZ-LLVKDONJSA-N 337.343 1.114 0 40 EDAB O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)CC1CCOCC1)N1CCCC1 1615547150 JZIBVDJLOMEYBK-JYJNAYRXSA-N 336.432 1.184 0 40 EDAB O=S(=O)(NCc1noc(-c2cccs2)n1)[C@@H]1CCC[C@@H]1O 1615623273 VHNBLXICHAVMLA-WCBMZHEXSA-N 329.403 1.131 0 40 EDAB CNCc1ccc(CNC(=O)[C@]2(N)CCc3c(OC)cccc32)cc1 1615613072 OZVPPFQFIGUJHK-FQEVSTJZSA-N 339.439 1.831 0 40 EDAB COC[C@H]1CN(C)C2(C1)CN(C(=O)COc1ccccc1OC)C2 585093759 CWJKPDCVGAPEGC-CQSZACIVSA-N 334.416 1.253 0 40 EDAB CCOC(=O)c1ccc(NS(=O)(=O)C[C@H](OC)C(C)C)c(O)c1 585141476 WMZYQGQPPUZUBG-AWEZNQCLSA-N 345.417 1.982 0 40 EDAB Cc1c(C(=O)NC[C@@H]2COC[C@@H](O)[C@H]2O)[nH]c2c(Cl)cccc12 585285148 MYWQSXOVXVLALM-BCQZVRRWSA-N 338.791 1.228 0 40 EDAB CNC(=O)C[C@H]1CN(C(=O)c2ccc3c(c2)COC3)Cc2ccnn21 585095418 WUHFEKQLHRAZPE-INIZCTEOSA-N 340.383 1.247 0 40 EDAB Cc1cccc(C[C@@]2(CO)CN(C(=O)c3cnn(C)c3)CCO2)c1 585275213 AKORWYOKKFXKTK-SFHVURJKSA-N 329.400 1.175 0 40 EDAB Cc1nc(/C=C/C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)cs1 585289084 DFWAQSAFBHGQKF-WEFZIGITSA-N 332.429 1.932 0 40 EDAB CNC(=O)CC[C@@]1(O)CCCN(C(=O)c2cc(F)cc(F)c2)C1 585279815 ZGLJXICMUWDXNS-INIZCTEOSA-N 326.343 1.458 0 40 EDAB CCc1nnc2n1CCN(C(=O)[C@H]1CCCN(c3nccs3)C1)C2 69486195 BWHDQRCVANDYKB-LBPRGKRZSA-N 346.460 1.556 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)Cn2ccc3cc(OC)ccc32)CC1 70004909 VDDVOENAKHBJEI-INIZCTEOSA-N 345.443 1.565 0 40 EDAB O=C(CN1CCCC[C@H]1Cn1cncn1)NCCc1cccs1 71876210 MCVXCYBXHPXCFD-AWEZNQCLSA-N 333.461 1.553 0 40 EDAB Cc1cccc(OCC(=O)N2CC(Cn3nc(C)ccc3=O)C2)c1 1775986071 SGLWDMVBJIAHCX-UHFFFAOYSA-N 327.384 1.398 0 40 EDAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)c3ccccc3)[C@@H](C)C[C@H]21 1775964293 AZICTZYATNZKCT-QMCVQRASSA-N 330.428 1.936 0 40 EDAB biogenic,in-vitro CNC(=O)C1(NC(=O)c2ccc3c(c2)NC(=O)CN3C)CCCCC1 56099919 UKHQADGWVRCKBR-UHFFFAOYSA-N 344.415 1.254 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1C 72621719 SGLJASLDBULCAI-HZPDHXFCSA-N 341.473 1.470 0 40 EDAB O=S(=O)(NCCCOC[C@@H]1CCCO1)c1cc(F)ccc1F 52782955 ZIVLYUBMSKFBOL-LBPRGKRZSA-N 335.372 1.829 0 40 EDAB CNC(=O)CC1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CC1 74515579 CRSSCCAQIFWRAJ-QGZVFWFLSA-N 331.460 1.534 0 40 EDAB CNC(=O)c1ccc(NC[C@@H]2CCCN(Cc3cccnc3)C2)nn1 74750631 LYOICAUFOVOUBT-HNNXBMFYSA-N 340.431 1.555 0 40 EDAB O=C(Cc1cccs1)N1CCCSC[C@H]1CN1CCOCC1 85473386 HTFLTRWCXDVTJL-CQSZACIVSA-N 340.514 1.957 0 40 EDAB Cc1ccc(C)c(N2N=C(C(=O)N3CC[C@H](C(N)=O)C3)CCC2=O)c1 41129158 NMNZOCQIPWAADK-ZDUSSCGKSA-N 342.399 1.120 0 40 EDAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)Cc2ccn(C)n2)cc1 97164211 GVMAJEKLMYJCJH-ZDUSSCGKSA-N 335.429 1.250 0 40 EDAB Cc1cccc(F)c1S(=O)(=O)N(CC(=O)O)Cc1ccccn1 547914660 KEOLXCYAQTVCKN-UHFFFAOYSA-N 338.360 1.805 0 40 EDAB CC(C)(C)CN[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(-c2cccc(F)c2)nn1 1549160100 AKZMKBYEVOVTGW-GVDBMIGSSA-N 348.422 1.848 0 40 EDAB NC(=O)c1ccc(C2CCN(C(=O)[C@@H]3CC34CCC4)CC2)nc1N 19765809 TXGHKVWZRITRFI-ZDUSSCGKSA-N 328.416 1.659 0 40 EDAB CCCC(=O)/N=c1\sn(-c2ccc(OC)cc2)nc1C(=O)NC 1409821 CXWSQGFIWRGJKL-ICFOKQHNSA-N 334.401 1.529 0 40 EDAB CN1CCN(c2nc3nonc3nc2Nc2ccc(F)cc2)CC1 5200465 NFRMWEFLIDKIJQ-UHFFFAOYSA-N 329.339 1.647 0 40 EDAB CCn1nnc2cc(C(=O)OCC(=O)NCc3cccs3)ccc21 5805082 JECKWGKTQFZNDW-UHFFFAOYSA-N 344.396 1.986 0 40 EDAB Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H]3C[C@H]3c3ccccc3)ccc21 12241735 KFJMFRSLEZKSAO-UONOGXRCSA-N 344.392 1.966 0 40 EDAB Cc1c(CC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2cc(O)ccc12 16031607 CPZIOEIUVQXNOW-OAHLLOKOSA-N 333.340 1.575 0 40 EDAB biogenic COCC(=O)N(C)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19586684 FNKSKPXFNOMIGJ-UHFFFAOYSA-N 332.400 1.595 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1ccccn1)C2=O 4057987 NDNKFJJPGJIJHH-SCLBCKFNSA-N 344.415 1.241 0 40 EDAB Cc1cc(C(=O)N2C[C@H]3CN(c4nc(C)c(F)c(O)n4)C[C@@H]3C2)no1 1888863820 YZFKTQQGRIBLEA-QWRGUYRKSA-N 347.350 1.135 0 40 EDAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1nccs1 13683302 FJDKTKGYNBORNQ-UHFFFAOYSA-N 329.337 1.780 0 40 EDAB O=C([C@H]1CN(Cc2cccc3ccccc23)CCO1)N1CCOCC1 1889228952 GIEQUXYIUHHIDB-LJQANCHMSA-N 340.423 1.899 0 40 EDAB CN(Cc1ccsc1)C(=O)CN(C)S(=O)(=O)c1cccnc1 41777474 HGEGMCKFQFNSSO-UHFFFAOYSA-N 339.442 1.422 0 40 EDAB COc1cc(C(=O)N2CCc3ncnc(-c4ccncc4)c3C2)on1 1565556714 ZBOURJRBTUXNOM-UHFFFAOYSA-N 337.339 1.734 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N1CC(OC[C@@H]2CCOC2)C1 1565522191 CVOJMGWVQRKACD-CYBMUJFWSA-N 341.429 1.430 0 40 EDAB Cc1nc(SCc2cccnc2)c2c(=O)n(C)c(=O)n(C)c2n1 4061645 NXKUNJXSFMLESH-UHFFFAOYSA-N 329.385 1.023 0 40 EDAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(-c2ccno2)o1 12234532 XDYHYEBOPXXQCG-UHFFFAOYSA-N 348.340 1.527 0 40 EDAB COc1cccc(C(=O)NCCNC(=O)c2nc(C3CC3)no2)c1 15082454 VUSJXOGPWAZKHB-UHFFFAOYSA-N 330.344 1.115 0 40 EDAB CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)c3cc[nH]c3)CC2)CO1 2055751212 VTTURJWDFASGCQ-AWEZNQCLSA-N 334.420 1.345 0 40 EDAB Cc1noc(C)c1C(=O)N[C@@H]1CCc2onc(C(=O)NC(C)C)c2C1 2055739095 KXJSCJKFKPPLKP-LLVKDONJSA-N 346.387 1.705 0 40 EDAB CC(C)NC(=O)c1noc2c1C[C@H](NC(=O)C1CCOCC1)CC2 2055734745 QOFSVBWAXHMLFZ-GFCCVEGCSA-N 335.404 1.213 0 40 EDAB O=c1ccc(-c2ccncc2)nn1C1CN(c2ncnc3[nH]cnc23)C1 1775973408 ARUOBQXEUHWVKO-UHFFFAOYSA-N 346.354 1.033 0 40 EDAB O=C(NC1CC1)[C@H]1CN(c2ncc(C(F)(F)F)cc2F)CCO1 2086856773 LWKVFOGYZUCCGY-LLVKDONJSA-N 333.285 1.723 0 40 EDAB O=C(NCc1n[nH]c(=O)c2ccccc12)c1cc(-c2ccco2)n[nH]1 44059485 WHZWFGKCYRMNLF-UHFFFAOYSA-N 335.323 1.836 0 40 EDAB CN(C)S(=O)(=O)N1CCC(CNC(=O)Nc2cccs2)CC1 575614868 BAKDZWSWDJCDQI-UHFFFAOYSA-N 346.478 1.388 0 40 EDAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(=O)[nH]n1 40510918 HUNIUORTBJKFBW-OAHLLOKOSA-N 349.394 1.822 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCCN(C(C)=O)CC2)cc1C 30327939 XUPJXGQTDSQELJ-UHFFFAOYSA-N 340.445 1.637 0 40 EDAB Cc1cc(C)n(CCNC(=O)C(=O)Nc2cc(Cl)ccc2O)n1 40288543 IKJVTUOZOLNPMJ-UHFFFAOYSA-N 336.779 1.614 0 40 EDAB O=C(COC(=O)C1(O)CCCCC1)N1CCN(c2ccccc2)CC1 31195406 OEPHZFBQXSUJFW-UHFFFAOYSA-N 346.427 1.574 0 40 EDAB CC[C@@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)OC 40462359 DRKZYUVRDZGBKV-MFKMUULPSA-N 339.417 1.160 0 40 EDAB O[C@H](COc1ccccc1)CSc1nnnn1C[C@H]1CCCO1 32814789 WTQJFDNVTAPUTH-TZMCWYRMSA-N 336.417 1.384 0 40 EDAB Cc1cccc(Cc2cnc(NC(=O)CN(C)CC(N)=O)s2)c1 52830993 QKOLVRCMZDLKKZ-UHFFFAOYSA-N 332.429 1.398 0 40 EDAB CNC(=O)[C@@H]1CCCCN1C(=O)Cc1csc(-c2ccccn2)n1 33212241 NXOZRCAPKVDRDF-AWEZNQCLSA-N 344.440 1.875 0 40 EDAB CN(CCc1ccccc1)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103063622 MNLAJKYHGDPDTI-UOVPBQLFSA-N 338.407 1.495 0 40 EDAB COc1ccc([C@H](NC(=O)CN2CCC(C(N)=O)CC2)C(C)C)cc1 22057921 DZQGOJXJDOUCTF-GOSISDBHSA-N 347.459 1.706 0 40 EDAB O=C(NCc1cccnc1)c1cncc(C(=O)NCc2cccnc2)c1 42195844 CEEWTUMTYFTYCC-UHFFFAOYSA-N 347.378 1.732 0 40 EDAB NC(=O)c1cnc(NCc2ccnc(N3CCOCC3)c2)c(Cl)c1 54057609 NWZYNJMFMCYETH-UHFFFAOYSA-N 347.806 1.678 0 40 EDAB CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccccc2)NC(=O)NC1 54670260 GPDLUNWNCNPCDL-MRXNPFEDSA-N 329.400 1.954 0 40 EDAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(C)n1C 24605866 FJJZZECOUQXMMG-UHFFFAOYSA-N 335.429 1.313 0 40 EDAB C[C@H](NC(=O)NCCCn1nc2n(c1=O)CCCC2)c1ccccn1 43180822 VTFDMGSPBJLKSU-ZDUSSCGKSA-N 344.419 1.227 0 40 EDAB CCOC(=O)c1ccc(N2CCN(c3nc(CC)ns3)CC2)nc1 78577221 DMZWUYZZCDCUSV-UHFFFAOYSA-N 347.444 1.999 0 40 EDAB Cc1nc(NC(=O)N[C@@H](CC(C)C)C(=O)NCCO)sc1C 79100495 MVFMCPHKGMBVFC-NSHDSACASA-N 328.438 1.405 0 40 EDAB Cc1cnc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)cn1 55623618 WAVFLRUWKXJCIK-UHFFFAOYSA-N 334.379 1.925 0 40 EDAB COc1cc(NC(=S)NN2CCOCC2)c(OC)cc1Cl 1408598 HHYIGLSERIPOQB-UHFFFAOYSA-N 331.825 1.891 0 40 EDAB COc1ccc(OC)c(NC(=O)CSc2nc(N)cc(N)n2)c1 3605729 XXBBSFSRCPWNHX-UHFFFAOYSA-N 335.389 1.389 0 40 EDAB COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@H]2CCCOC2)c1 56130079 NWROUBKVUIHIJP-GFCCVEGCSA-N 327.402 1.487 0 40 EDAB COC(=O)[C@H]1[C@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O 4908592 VUGOLLUZWMJXDN-SUYBPPKGSA-N 348.355 1.058 0 40 EDAB O=C1NC(=O)[C@H](CC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)N1 57071884 MURNZJWMQUSUHM-PWSUYJOCSA-N 342.355 1.132 0 40 EDAB C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 6640584 LDERMBPXNABRGX-WCBMZHEXSA-N 336.413 1.864 0 40 EDAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(C(N)=O)cc1 10314474 DLJKSBIXZBUZOS-UHFFFAOYSA-N 347.396 1.718 0 40 EDAB O=C(c1ccnnc1)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F 109405165 DEPGHBDXTZUJRS-KKUMJFAQSA-N 344.346 1.462 0 40 EDAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCOc1ccc2c(c1)OCO2 57853749 JKELUISBMBHMMX-YPMHNXCESA-N 334.372 1.073 0 40 EDAB CCn1c(SCC(=O)NCCCOC)nnc1-c1ccncc1 8090102 BSCPBEAFOKMIRL-UHFFFAOYSA-N 335.433 1.605 0 40 EDAB CCOC(=O)NCC(=O)NCc1ccc(C(=O)N(C)C(C)C)cc1 58166821 XHIRJAOOWRKSAN-UHFFFAOYSA-N 335.404 1.529 0 40 EDAB C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@@H]1c1ccsc1 58174703 DLIUGWCHZSTSLJ-IUODEOHRSA-N 335.473 1.997 0 40 EDAB COc1ccccc1OCCN1Cc2ccccc2C[C@H]1C(N)=O 58155809 ZLISNKCAHKYSNJ-INIZCTEOSA-N 326.396 1.986 0 40 EDAB Cn1c(COc2ccc(F)cc2Cl)nc2c1c(=O)[nH]c(=O)n2C 58298273 BDCRVDDPLBVRGY-UHFFFAOYSA-N 338.726 1.332 0 40 EDAB C[C@H](C(=O)NCc1ccnc(Oc2ccccc2)c1)S(C)(=O)=O 44952457 ARXFVEOXAMCTTM-GFCCVEGCSA-N 334.397 1.923 0 40 EDAB O=C(NCCCCN1CCOCC1)c1ccc(-n2cncn2)cc1 44952670 AYHHBBPKQCMBGO-UHFFFAOYSA-N 329.404 1.110 0 40 EDAB C[C@@H](C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)n1cncn1 44908826 AJKJHHBOBRVUTF-NSHDSACASA-N 339.852 1.898 0 40 EDAB Cc1nn(CC(=O)NCCN2CCCCCC2)c(=O)c2ccccc12 44912887 IRFKXGRWRPDNMW-UHFFFAOYSA-N 342.443 1.697 0 40 EDAB Cc1cc(C(=O)O)c(O)c(S(=O)(=O)N2CCOc3ccccc32)c1 58377216 WBNHGLOBFSHQRU-UHFFFAOYSA-N 349.364 1.987 0 40 EDAB Cc1c(C)c(C)c(S(=O)(=O)NC[C@H]2CN(C)CCO2)c(C)c1C 58406044 KLOULBIYMNEUGT-INIZCTEOSA-N 340.489 1.838 0 40 EDAB CCN(CC)C(=O)CNC(=O)[C@H](c1ccccc1)N1CCSCC1 58418499 PNQBRRFYXKKGRO-KRWDZBQOSA-N 349.500 1.761 0 40 EDAB Cn1c(=O)c2c(ncn2Cc2ccccc2OC(F)F)n(C)c1=O 10643804 UHNIPHZHWBVCBK-UHFFFAOYSA-N 336.298 1.083 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)NCC(=O)OCc1ccccc1 58580284 IIESBCKTKFZTSG-UHFFFAOYSA-N 341.289 1.762 0 40 EDAB C[C@H]1NC(=S)N([C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)C1=O 55179421 ZYKJYVGCWMSXEU-GHMZBOCLSA-N 347.440 1.510 0 40 EDAB CCOC(=O)/C=C/C(=O)NC(=S)Nc1cc(OC)ccc1OC 2551749 ZRMBNHGGHAUBIJ-BQYQJAHWSA-N 338.385 1.636 0 40 EDAB OCCCN1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 60381355 BBRRRANOINTOGU-UHFFFAOYSA-N 338.415 1.296 0 40 EDAB Cc1cc(CC(=O)N2CC(S(=O)(=O)Nc3ccccc3)C2)no1 96005409 BZWJYUZLAONMDS-UHFFFAOYSA-N 335.385 1.178 0 40 EDAB CCOC(=O)C1=C(CN(CC)C2CC2)NC(=O)N[C@H]1c1ccco1 29913609 WAJJCYOIDGHDRL-HNNXBMFYSA-N 333.388 1.935 0 40 EDAB C[C@H](C(=O)OCC(=O)c1ccc[nH]1)N1C(=O)c2ccccc2C1=O 2623136 ISQZOEUXQJIFHI-SNVBAGLBSA-N 326.308 1.425 0 40 EDAB Cc1cc(F)ccc1CN1CC[C@@H]2OCCN(S(C)(=O)=O)[C@H]2C1 108531170 GEJMQECNQJWGGI-HOTGVXAUSA-N 342.436 1.369 0 40 EDAB O=C(c1cnccn1)N1CCO[C@H]2CCN(C[C@@H]3CC=CCC3)C[C@@H]21 108528507 MHJWTUSHFYKBMR-NJAFHUGGSA-N 342.443 1.748 0 40 EDAB O=C(c1ccsc1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 174311927 TXPFDTJPWRWYRP-UHFFFAOYSA-N 341.414 1.024 0 40 EDAB O=C(Cn1nnc2ccccc2c1=O)Nc1nnc(C2CCC2)s1 61720920 IGLJSBXOPJHNAK-UHFFFAOYSA-N 342.384 1.549 0 40 EDAB CC(=O)N[C@@H]1CCCN(C(=O)NCCOc2ccc3c(c2)OCO3)C1 48262242 USZOEANAGKXSGM-CYBMUJFWSA-N 349.387 1.104 0 40 EDAB O=C(c1cscn1)N1CCOC2(CCN([C@@H]3CCOC3)CC2)C1 107193114 UOIPRQQVXZXYBT-CYBMUJFWSA-N 337.445 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COc1cccc([C@@H](CNC(=O)N2CCC(C(=O)O)CC2)OC)c1 529222189 DCWSAPNMGZPRPN-OAHLLOKOSA-N 336.388 1.889 0 40 EDAB C[C@H](CNC(=O)N1CCSC[C@H]1c1cnn(C)c1)Cn1cccn1 191499478 WMXDTVOVJFSIJX-HIFRSBDPSA-N 348.476 1.752 0 40 EDAB CCN1CCN(c2ncc3c(n2)CN(C2CCSCC2)C3=O)CC1 41123001 NRGDIQDOIREUQS-UHFFFAOYSA-N 347.488 1.470 0 40 EDAB Cc1c(C(=O)NCCOc2ccc(F)cc2)nnn1-c1nccs1 49032371 BYBHFPJNYJIUBC-UHFFFAOYSA-N 347.375 1.980 0 40 EDAB O=C(O)C1CCN(S(=O)(=O)NCCCc2cccc(F)c2)CC1 576515749 YYQHNJPRDFKFPV-UHFFFAOYSA-N 344.408 1.389 0 40 EDAB O=C1N(CCO)c2ccccc2C12CCN(C1CCOCC1)CC2 96078924 ZREDJGJJPRRNFE-UHFFFAOYSA-N 330.428 1.538 0 40 EDAB CC[C@@]1(CO)CCCN1C(=O)N[C@H]1CCN(c2ncccc2F)C1 190904791 ZKWIIELUNFNIGI-GUYCJALGSA-N 336.411 1.746 0 40 EDAB NC1CCN(c2nccn3c(=O)n(Cc4ccc(F)cc4)nc23)CC1 96530679 PGMLRDBOLWZBLM-UHFFFAOYSA-N 342.378 1.006 0 40 EDAB CCS(=O)(=O)NCc1ccc(C(=O)NCc2ccc(C)n2C)cc1 96423558 KFMCUXBFIDDHTI-UHFFFAOYSA-N 349.456 1.703 0 40 EDAB CN(Cc1cccnc1)C[C@H]1CN(C(=O)C2CC2)Cc2nccn2C1 96188696 CBTZHGUBKNNAMS-MRXNPFEDSA-N 339.443 1.779 0 40 EDAB O=C1COC2(CCN(c3ncccn3)CC2)CN1c1ccsc1 96159162 QYMATJAGICRBEP-UHFFFAOYSA-N 330.413 1.941 0 40 EDAB C[S@](=O)c1ncn(C[C@H](O)CO[C@@H]2CCCc3ccccc32)n1 96484769 RJMIQIFDSYZBGJ-OWOHRZCZSA-N 335.429 1.471 0 40 EDAB O=C(CCOc1ccccc1F)N1CCN(C[C@@H]2CCOC2)CC1 96454782 QYZIFBABTYJXRL-HNNXBMFYSA-N 336.407 1.775 0 40 EDAB Cc1ccc(CC(=O)N2CC[C@H](N3CCOCC3)C[C@H]2C(=O)O)cc1 96069089 KRZHWQSCVFYENW-IRXDYDNUSA-N 346.427 1.314 0 40 EDAB CC(C)C(=O)N1CCC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 96225029 YEWGDEXLNYZSSJ-QGZVFWFLSA-N 330.388 1.814 0 40 EDAB Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccno3)C2)n1 96108477 BRPNCYGISDDCLY-KDOFPFPSSA-N 342.399 1.256 0 40 EDAB CCN(C)C(=O)CNC(=O)c1nnn(-c2ccc(F)c(F)c2)c1C 579955485 RUDGZKWZLZLSKW-UHFFFAOYSA-N 337.330 1.062 0 40 EDAB O=C(Cc1ccccc1)N1CCO[C@]2(COCCN(CC3CC3)C2)C1 96228915 VBMFBTLENCTUHN-FQEVSTJZSA-N 344.455 1.569 0 40 EDAB CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@@H](C)Cn2ccnc2)C1 96420665 ZNUKLMCXIJYIQY-JKSUJKDBSA-N 349.479 1.856 0 40 EDAB Cc1ccc(NC(=O)N(C)C[C@H](O)CN2CCN(C)CC2)cc1C 96424058 PWMNGRWJDFZYBE-KRWDZBQOSA-N 334.464 1.375 0 40 EDAB CCn1c(CCN)nnc1Sc1ncc(Br)cn1 96450082 ZPHQQTGFDAMJHY-UHFFFAOYSA-N 329.227 1.503 0 40 EDAB CNS(=O)(=O)c1cccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 95987827 CXGHVNVGYJDIBJ-XHSDSOJGSA-N 336.457 1.642 0 40 EDAB Cn1cccc1C(=O)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1 96183339 AXIMHWBJSLVCOZ-GOEBONIOSA-N 326.400 1.398 0 40 EDAB Cn1nccc1C(=O)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 96107555 JQFDVZWDPQEUEB-KSSFIOAISA-N 342.399 1.658 0 40 EDAB O=C(C1CC=CC1)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 96218504 WRXFEKKXFZHFKF-OAHLLOKOSA-N 344.415 1.179 0 40 EDAB O[C@@H](CNc1nc(-c2cccc(Cl)c2)no1)CN1CCOCC1 96482675 QZCGMFZSMBLURQ-ZDUSSCGKSA-N 338.795 1.495 0 40 EDAB C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1CC(=O)N(C)C1 96426362 UXIXFXRNCCYISM-GXSJLCMTSA-N 341.205 1.563 0 40 EDAB Cc1occc1C(=O)N1CC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 96050536 XPIPQZOXCOVXQX-QGZVFWFLSA-N 328.372 1.591 0 40 EDAB Cc1ccc(CN2C[C@H]3OC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)o1 96216824 RGHHCPYHVURKHV-QLFBSQMISA-N 328.372 1.464 0 40 EDAB CC(=O)NCC(=O)N1CCc2ncnc(-c3ccsc3)c2CC1 96255350 IWSZHXHFBWRWSJ-UHFFFAOYSA-N 330.413 1.268 0 40 EDAB CO[C@H](C)c1noc(CN2CCCN(Cc3ccccn3)CC2)n1 96455927 JJVNBWRCWUAFFW-CQSZACIVSA-N 331.420 1.880 0 40 EDAB Cc1ccc(N2CCOC[C@@]3(CCCN(C(=O)NC4CC4)C3)C2)nn1 96229189 RKKPDMRWTAEMJZ-SFHVURJKSA-N 345.447 1.576 0 40 EDAB Cc1cc(C(=O)N2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)no1 97953774 UXUZXSRRVQTNHZ-SOUVJXGZSA-N 347.346 1.968 0 40 EDAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1cccc3c1OCCO3)C2 248114239 IFXAHRUTZFFVIN-CQSZACIVSA-N 346.427 1.641 0 40 EDAB CCCCS(=O)(=O)N1CC[C@H](CNc2noc(C(C)(C)C)n2)C1 585080334 NRTWDPFZRPMPPH-GFCCVEGCSA-N 344.481 2.231 0 40 EDAB COc1ccc(C(=O)NCc2cnc(C)nc2[C@H]2CCCN2C)cn1 257223780 DYUYHSPYKKBIJK-OAHLLOKOSA-N 341.415 1.885 0 40 EDAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)CCc2cccnc2)n1 257340934 ZIEOHHRWFLRYJK-HNNXBMFYSA-N 341.415 1.754 0 40 EDAB CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)Nc2ccnn2C)n1 585119929 AJVFPXBDPXOJOD-JTQLQIEISA-N 349.395 1.624 0 40 EDAB COC(=O)N[C@H](CC(C)C)C(=O)N(C)Cc1nnc2ccccn12 585146034 YQWOARPYDHCVRT-GFCCVEGCSA-N 333.392 1.458 0 40 EDAB CCc1ccc([C@@H](COC)NS(=O)(=O)CCCN2CCCC2)o1 585115144 OGYXLPITVZGKMI-OAHLLOKOSA-N 344.477 1.935 0 40 EDAB COc1ccc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)cn1 257248854 JFMZVEWXLAEBNT-HNNXBMFYSA-N 342.399 1.541 0 40 EDAB O=C(COc1cccnc1)N1CCC(c2ccnc3ccnn23)CC1 257343420 ZSXKZFPLYLCXBL-UHFFFAOYSA-N 337.383 1.909 0 40 EDAB COCc1cccc(C(=O)N2CCO[C@@H](c3nccnc3N)C2)c1 257249096 JGUQGKLLMNCFOS-CQSZACIVSA-N 328.372 1.419 0 40 EDAB Cc1cccc(N2CCC[C@H](N(C)CC(=O)N3CCOCC3)C2)n1 257232510 GLDQABNNJDRTIH-INIZCTEOSA-N 332.448 1.149 0 40 EDAB CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1O 257256190 KKKHVDBVTWIFOQ-IAGOWNOFSA-N 329.375 1.538 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)on1 27036280 HBIVJRJSUDXMJR-MNOVXSKESA-N 344.371 1.992 0 40 EDAB COCC(=O)N1CCC(Cc2cnc(-c3cc(C)n[nH]3)cn2)CC1 257250789 JNZYZSSFXNKLDM-UHFFFAOYSA-N 329.404 1.603 0 40 EDAB Cn1cnc(S(=O)(=O)NC[C@H](c2ccsc2)n2cccn2)c1 618256302 QSMAWTKCIMJXHR-GFCCVEGCSA-N 337.430 1.246 0 40 EDAB COc1cc(NCCNC(=O)[C@@]2(O)C[C@H]3CC[C@H]2C3)cc(OC)c1 1615587226 YJDPVXXQLNZRAC-ZJNRKIDTSA-N 334.416 1.783 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](CCC(=O)O)C(=O)O)cc1F 1616035772 GICFOESOMIWMSU-ONGXEEELSA-N 347.364 1.367 0 40 EDAB COc1cccc([C@H](CNC(=O)C(=O)NCc2cccs2)OC)c1 96390449 OYLJSEYEBJZCOS-HNNXBMFYSA-N 348.424 1.877 0 40 EDAB CCS(=O)(=O)N1CC2(C[C@@H](OCc3csc(C)n3)CS2)C1 575406146 WTLBHPTUSFGWIJ-GFCCVEGCSA-N 348.515 1.878 0 40 EDAB COc1cc(C)c(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)c(C)c1 69696432 XTMXNXXNNMFQIU-LBPRGKRZSA-N 347.458 1.168 0 40 EDAB CN1C[C@H](NC(=O)c2cnn(-c3ccccc3Cl)c2)CCC1=O 71915355 LHMWHZKZQFCFFN-GFCCVEGCSA-N 332.791 1.876 0 40 EDAB O=C1O[C@H](C(=O)NCc2ccc3c(c2)OCCO3)Cc2ccccc21 44517028 MTHNQZVKWZOSAK-KRWDZBQOSA-N 339.347 1.856 0 40 EDAB OC[C@H]1CCCN1C1CCN(c2ncc(Br)cn2)CC1 1776000429 BJXITWXYKPKSOO-CYBMUJFWSA-N 341.253 1.665 0 40 EDAB CC(C)S(=O)(=O)[C@H](C)C(=O)NCCN1CCc2sccc2C1 53270211 VYWFSHKREULTGN-GFCCVEGCSA-N 344.502 1.434 0 40 EDAB C[C@@H](OCC(F)(F)F)C(=O)NCc1cccnc1-n1cccn1 40525114 SKMDGBKCIMYHOC-SNVBAGLBSA-N 328.294 1.851 0 40 EDAB N[C@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 41028911 DZFNKHGMACDNKP-LBPRGKRZSA-N 347.278 1.646 0 40 EDAB in-vitro CC(=O)N1CC[C@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 95439801 NGKMJGJZZRXDRN-NSHDSACASA-N 334.800 1.519 0 40 EDAB CCN(CC)c1ccc(C(=O)N(CC(=O)O)C[C@@H]2CCCO2)cn1 95424812 ZTZJWYFVKMOPOG-AWEZNQCLSA-N 335.404 1.634 0 40 EDAB COC[C@H](C)NS(=O)(=O)c1ccc(F)c(Br)c1 96436411 ANYATCOLPFFBQX-ZETCQYMHSA-N 326.187 1.901 0 40 EDAB COCCN1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 97050593 PDNMJRGTTMYEJD-UHFFFAOYSA-N 343.221 1.559 0 40 EDAB Brc1cnc(N2CCN(c3cnsn3)CC2)nc1 1889082721 KPNFZJVPTBBFMJ-UHFFFAOYSA-N 327.211 1.417 0 40 EDAB O=C(c1cccc(OC(F)(F)F)c1)N1CC(Cn2cncn2)C1 952964421 AOVXXNHUMCPHTN-UHFFFAOYSA-N 326.278 1.949 0 40 EDAB CC(=O)N1CCC(N2CC[C@](O)(COc3cccc(F)c3)C2)CC1 1615191077 KJQYWTAASSUWIK-GOSISDBHSA-N 336.407 1.652 0 40 EDAB O=C(Cn1ncccc1=O)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775971209 YATJTVJJVSQRFP-UHFFFAOYSA-N 349.394 1.554 0 40 EDAB CCn1ncc(CN(C)S(=O)(=O)c2cnn(CC)c2C)c1C 14226860 FXIIGOHHPGPJIO-UHFFFAOYSA-N 325.438 1.557 0 40 EDAB O=C(Cc1cccc(O)c1)N1CCc2nc3ccccc3c(=O)n2CC1 19375964 TVRWNWGHJNCLLH-UHFFFAOYSA-N 349.390 1.730 0 40 EDAB Cc1cc(C)n(C[C@@H](O)CN(Cc2cnn(C)c2)Cc2ccco2)n1 19573798 GJIRAOYQFAXSSK-KRWDZBQOSA-N 343.431 1.890 0 40 EDAB COc1ccc(O[C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)nn1 225437348 GEXUXQZJAAJKLS-LBPRGKRZSA-N 332.360 1.312 0 40 EDAB COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 244933217 CHTLFNRQIKAXJC-BZPMIXESSA-N 327.402 1.310 0 40 EDAB O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccsc1 390831101 PQEPWVDLJBNLDG-ZDUSSCGKSA-N 328.459 1.129 0 40 EDAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)n1 390827625 IJAVDBWUYWRNQZ-CQSZACIVSA-N 329.404 1.737 0 40 EDAB Cc1oncc1CN1CCN(c2nccc(N3CCCC3)n2)CC1 1889090353 MXHLMRLDZIARND-UHFFFAOYSA-N 328.420 1.695 0 40 EDAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(C)ccc1C 15299045 CVBHWTDLAUGHNY-MRXNPFEDSA-N 338.473 1.429 0 40 EDAB Cn1nc2c(cc1=O)C[C@@H](C(=O)NCc1nc3ccccc3[nH]1)CC2 238943906 WGAQGOUEDKHODL-NSHDSACASA-N 337.383 1.078 0 40 EDAB O=C(NC[C@@]1(OCCO)CCOC1)C1(c2cccs2)CCCC1 1565519883 RGILAKUKXJUCIC-INIZCTEOSA-N 339.457 1.844 0 40 EDAB CC(=O)c1cc(C(=O)N2CC3(CCN(C(=O)c4ccoc4)C3)C2)n[nH]1 1565547165 LQFJYIMWDCJQGL-UHFFFAOYSA-N 342.355 1.194 0 40 EDAB O=C(NCc1cccs1)C(=O)NC[C@@]1(O)CCCc2occc21 1565523216 JIIJODFFZISCNS-INIZCTEOSA-N 334.397 1.298 0 40 EDAB COCCNC(=O)C(=O)NCc1ccc(C(=O)c2ccccc2)s1 206682020 WJKICZBPIXBIFB-UHFFFAOYSA-N 346.408 1.358 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCS[C@@H](c2cccs2)CC1 219558731 WSVOQYKHKYFGLG-CYBMUJFWSA-N 348.515 1.805 0 40 EDAB Cc1ccc2c(NC(=O)CNC(=O)c3ccc(=O)[nH]c3)cccc2n1 44458946 BCIINEQLYHHMML-UHFFFAOYSA-N 336.351 1.600 0 40 EDAB CSc1ccccc1C(=O)NCCOCCN1C(=O)CCC1=O 575619953 PNECIVOUZDECOL-UHFFFAOYSA-N 336.413 1.304 0 40 EDAB O[C@H]1c2cc(-c3ccncc3)nn2[C@@H](O)c2cc(-c3ccncc3)nn21 618255067 GMRPANPBESHOGZ-ROUUACIJSA-N 346.350 1.595 0 40 EDAB Cn1cccc1-c1noc(CNC(=O)CNC(=O)c2ccccc2)n1 225767045 HXLXDGAPYZCEPZ-UHFFFAOYSA-N 339.355 1.121 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(C)o2)c(C)c1 49026862 VFNGLOBEGKLUCS-CYBMUJFWSA-N 325.386 1.917 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H](CN2CCOCC2)C1 70011196 OHYXABAANNSWNS-OAHLLOKOSA-N 335.452 1.009 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2coc(NC(=O)C3CCC3)n2)n1 75172299 MSBZPQFDDMXGIR-UHFFFAOYSA-N 349.372 1.150 0 40 EDAB CC(C)C[C@H](NS(=O)(=O)c1ccc2sc(O)nc2c1)C(N)=O 20468510 SBXRIKQJLDLXRK-JTQLQIEISA-N 343.430 1.180 0 40 EDAB COC(=O)CC12C3[C@@H]4[C@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 100716957 KVZLCQLDCJROEQ-BWESGXAASA-N 327.174 1.178 0 40 EDAB O=C(CC1CCCC1)N1CCN(Cn2nc3ccccn3c2=O)CC1 30003734 NHLFCUXVYPIOLX-UHFFFAOYSA-N 343.431 1.178 0 40 EDAB COc1ccc(N2C[C@H](C(=O)NCCCn3cccn3)CC2=O)cc1 30165073 GHDWBSSLQFKUJA-CQSZACIVSA-N 342.399 1.451 0 40 EDAB CC1=C(C(N)=O)[C@@H](c2ccc(Br)cc2)N2NN=NC2=N1 71525 NLLNZSLZOIYPGR-SNVBAGLBSA-N 335.165 1.807 0 40 EDAB Cc1ccc(CNC(=O)CN2CCN(c3nccs3)CC2)s1 52358856 UADCHQFABKCDQQ-UHFFFAOYSA-N 336.486 1.951 0 40 EDAB COCc1ccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 41164778 TXYDYBUJSXTZPZ-AWEZNQCLSA-N 340.445 1.234 0 40 EDAB CC1CCN(S(=O)(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)CC1 32825764 ZMQFALDTVDTWFI-SOUVJXGZSA-N 333.498 1.050 0 40 EDAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 32906505 SFGOOHOSRJANCH-AWEZNQCLSA-N 332.404 1.554 0 40 EDAB CCc1nc2sc3c(c2c2nnc(SCC(N)=O)n12)CCC3 554931 OUZLNQPBAMSJFB-UHFFFAOYSA-N 333.442 1.968 0 40 EDAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1cccc2c1OCO2 103590179 FKJLZCZJFSRFPA-BETUJISGSA-N 344.367 1.207 0 40 EDAB CC(C)c1nc(CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)no1 53605132 MEIFRXVIJBBYKC-SNVBAGLBSA-N 336.417 1.792 0 40 EDAB Cn1ncc2c(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)ncnc21 54551918 NVVRHQIXENFKLQ-UHFFFAOYSA-N 349.398 1.848 0 40 EDAB CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Br)cc1F 42645833 JSYQXCKFPFZASF-MRVPVSSYSA-N 333.157 1.414 0 40 EDAB COc1ccccc1N1C[C@H](C(=O)N(C)Cc2cnn(C)c2)CC1=O 24479972 BILFFVMFWGAHMU-CQSZACIVSA-N 342.399 1.440 0 40 EDAB O=C(NCc1cn2ccsc2n1)N[C@@H]1c2ccccc2C[C@H]1O 78983603 QFKPAADBEMBEFN-ZIAGYGMSSA-N 328.397 1.853 0 40 EDAB CC(C)COC(=O)c1ccc(NC(=O)CNCCCN(C)C)cc1 1671699 OULFSIUZOKVVJV-UHFFFAOYSA-N 335.448 1.979 0 40 EDAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCNC(=O)C2)c1 34858794 CJJIKMZBCPHUAA-GOSISDBHSA-N 339.395 1.807 0 40 EDAB C[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)[C@H](C)n1cccn1 106909837 DLNDDCFWDPAGNS-MELADBBJSA-N 333.388 1.591 0 40 EDAB Cc1noc(COC(=O)c2ccc(CNC(=O)NC(C)C)cc2)n1 25448336 UVZGZUKGRWTPEM-UHFFFAOYSA-N 332.360 1.943 0 40 EDAB C[C@H](NC(=O)NCCCn1nc2n(c1=O)CCCC2)c1cccnc1 43785155 WHCGXFAEWGZSPI-ZDUSSCGKSA-N 344.419 1.227 0 40 EDAB COCCNC(=O)[C@@H](C)S(=O)(=O)Cc1c(F)cccc1Cl 44641537 JTMYWTUNWAAVST-SECBINFHSA-N 337.800 1.545 0 40 EDAB CC(C)C[C@H]1NC(=O)N(C[C@H](O)CN2CCc3ccccc3C2)C1=O 58137503 JNOJPYYRWLTBEB-IAGOWNOFSA-N 345.443 1.372 0 40 EDAB O=C(NCCCCOc1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1 44895156 YXCQMRRASZIVMR-ZDUSSCGKSA-N 344.408 1.471 0 40 EDAB O=C(Cn1c(-c2ccccn2)noc1=O)N1CCc2ccccc2C1 58292670 PETPMRKZAOIMHA-UHFFFAOYSA-N 336.351 1.483 0 40 EDAB C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1ccc(-n2cccn2)nc1 58296196 KPJFEFVLXNJBEP-GOEBONIOSA-N 344.415 1.858 0 40 EDAB CCN1CCN(CCNS(=O)(=O)C2=Cc3ccccc3CC2)CC1 44936179 IXYWVSHXYOPPRX-UHFFFAOYSA-N 349.500 1.531 0 40 EDAB C[C@@H](Cc1ccco1)NC(=O)NCCCn1nc2n(c1=O)CCCC2 44970274 RGRDOFWPXAAIIN-ZDUSSCGKSA-N 347.419 1.295 0 40 EDAB C[C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc(F)cc1 9342522 KMEUOYIKUOXLLU-LBPRGKRZSA-N 328.409 1.895 0 40 EDAB CCN(CC)[C@@H](CNC(=O)[C@H](C)S(=O)(=O)C(C)C)c1ccco1 58328627 ODQXHHPXAOTXAZ-KBPBESRZSA-N 344.477 1.990 0 40 EDAB CCNC(=O)NC(=O)CN(Cc1ccccc1)C[C@@H](C)C(=O)OC 58344040 YIKGWOGKFSWMBR-CYBMUJFWSA-N 335.404 1.143 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNC[C@H]1CCN(C2CC2)C1 58421100 YNMSWBZYQPXGMC-OAHLLOKOSA-N 333.480 1.139 0 40 EDAB CCOCCCN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)NC1=S 102898414 AULIUIBTBNIEOG-RAXLEYEMSA-N 348.424 1.942 0 40 EDAB CCN(CC)Cc1ccccc1CNC(=O)N1CC[C@H](C(N)=O)C1 45184822 UYDVVZBMVYADEF-INIZCTEOSA-N 332.448 1.545 0 40 EDAB COc1ccccc1NC(=O)Cc1noc(C(=O)NC2CCCC2)n1 36354093 DDGSPBJYNYBZKG-UHFFFAOYSA-N 344.371 1.932 0 40 EDAB CCOC(=O)[C@@H]1C(=O)CC(=O)[C@H](C(=O)OCC)C1c1ccc(O)cc1 104139513 YREWCCCAPNMOJS-MQVJKMGUSA-N 348.351 1.376 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3ccncc3F)CC2)C1 108529222 QEJPRCQBQVCPGO-UHFFFAOYSA-N 341.408 1.155 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)CCOc2cccc(F)c2)C1 29205091 WXUIUTFHWAFKTJ-ZDUSSCGKSA-N 344.408 1.135 0 40 EDAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(CO)C=C[C@]3(C)O2)cc1 100377272 MMBBBGAUCFGRIE-DFEHZGFQSA-N 327.336 1.085 0 40 EDAB COCCN1CCCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 48251642 BYPKHTDZFOLXTN-UHFFFAOYSA-N 331.420 1.005 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCOCC1 52410409 QNSVBQAKFHBRPR-ZDUSSCGKSA-N 348.424 1.365 0 40 EDAB CC(C)CNC(=O)CN1CCN([C@H](C)c2nc(C(C)C)no2)CC1 48234363 FKQSIQMMDKAYLK-CQSZACIVSA-N 337.468 1.644 0 40 EDAB Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(CN(C)C)c1 47538293 JBWJNKSLYIIDPN-UHFFFAOYSA-N 347.440 1.956 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3376959 MNBYHGSKMDTFPW-UHFFFAOYSA-N 332.312 1.184 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 3551891 UHQJXVJPWQZWPN-UHFFFAOYSA-N 337.353 1.156 0 40 EDAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(O)cc2)o1 96116161 VPGPIACDMDGEQF-ZDUSSCGKSA-N 334.324 1.892 0 40 EDAB biogenic C/C(=C\C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1Cl 96292625 CHYDTQCSSCTHDL-VAWYXSNFSA-N 342.848 1.847 0 40 EDAB COC(=O)C1CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1 13728150 GPMNLYRIEFZEGZ-UHFFFAOYSA-N 343.383 1.309 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)NCCOc2cccc(F)c2)cc1 65454376 YOAXEMNMRDJGKT-UHFFFAOYSA-N 338.360 1.282 0 40 EDAB CN(C(=O)Nc1cnn(CC(N)=O)c1)[C@H]1CCCc2ccccc21 65434951 GZVXEMGMRDFVTM-HNNXBMFYSA-N 327.388 1.910 0 40 EDAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cnc(-c2ccccc2)nc1 65475541 QNZPNKBMWHYJFC-SJORKVTESA-N 338.411 1.737 0 40 EDAB CCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 14093920 BFXVJZDWCUGRKC-UHFFFAOYSA-N 341.433 1.629 0 40 EDAB Cc1ccc(C(=O)N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)o1 65626160 XEINVCRDFLCZBE-UHFFFAOYSA-N 344.415 1.465 0 40 EDAB Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)OCCCO3)no1 65613795 UIDAKDHAFIFZCJ-UHFFFAOYSA-N 331.328 1.399 0 40 EDAB C[C@H]1C[C@H](C)CN(C(=O)Cn2cnc3cc(C(=O)O)ccc3c2=O)C1 15019922 OSMCYVFHLBBTBK-RYUDHWBXSA-N 343.383 1.599 0 40 EDAB Cc1nn(C)c2c(N3CCN(C(=O)c4cccs4)CC3)ncnc12 28557311 IZJZIFAIHLGHQC-UHFFFAOYSA-N 342.428 1.696 0 40 EDAB COC(=O)c1cccc2c1OCCN2C(=O)CCc1cnn(C)c1C 90130926 YZPZJCHUOKJHAW-UHFFFAOYSA-N 343.383 1.873 0 40 EDAB C[C@@H](c1cccs1)N(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 67623142 COXACSUMHISGCI-RYUDHWBXSA-N 345.490 1.875 0 40 EDAB C[C@@H]1CCCN(C(=O)C[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)C1 71800144 BXIHZGYGLWBAEB-BXUZGUMPSA-N 333.363 1.899 0 40 EDAB Cc1cc(C(=O)NC2CCN([C@@H](C(N)=O)c3ccccc3)CC2)no1 71826846 CLQYPIABQWSJMO-MRXNPFEDSA-N 342.399 1.404 0 40 EDAB Cc1cccc2c(=O)n(CC(=O)N3CCN4CCCC[C@@H]4C3)cnc12 71839910 ZPCIXGOUFRWOEO-OAHLLOKOSA-N 340.427 1.402 0 40 EDAB COC(=O)NCCC(=O)Nc1ccccc1I 71886223 HDFIWNNZBNSBTL-UHFFFAOYSA-N 348.140 1.976 0 40 EDAB COc1ccc(CN2C[C@@H](C(=O)NC[C@H]3CCCCO3)CC2=O)cc1 71924309 LSSMUEATTQJCSS-DOTOQJQBSA-N 346.427 1.729 0 40 EDAB CC(=O)N(c1nnc(S[C@@H]2CCCCNC2=O)s1)C1CC1 22521114 DZCHGGJQFDYKSZ-SNVBAGLBSA-N 326.447 1.814 0 40 EDAB CS(=O)(=O)NCCCNC(=O)c1cnc(-c2ccsc2)s1 71900124 WXAPUAQRADDFBM-UHFFFAOYSA-N 345.471 1.541 0 40 EDAB Cc1ccc(F)c(N2CCC[C@H](N3CCC(NC(N)=O)CC3)C2=O)c1 81547798 HZIMWPHFRUQHKB-HNNXBMFYSA-N 348.422 1.762 0 40 EDAB CN(C)CCN(C(=S)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 8149761 HCUMHPILYQPJQL-CQSZACIVSA-N 347.550 1.244 0 40 EDAB CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C(=O)NC)cc1 69323541 JYRQWGWBHPRWAZ-SMDDNHRTSA-N 349.456 1.932 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1COCCN1S(=O)(=O)CCC1CC1 95983560 UYDVPFXXCMOPHY-AWEZNQCLSA-N 327.450 1.540 0 40 EDAB O=C(CN1CCN(c2ncnc3ccsc23)CC1)N1CCCCC1 95946705 JBECHHUEUCCZGX-UHFFFAOYSA-N 345.472 1.826 0 40 EDAB CS(=O)(=O)NCCC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 95955515 WUSRXDFYRFVHHI-UKRRQHHQSA-N 344.408 1.101 0 40 EDAB C[C@@H](NC(=O)c1cnn(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 69532674 QKZLDQRGYVGENX-CYBMUJFWSA-N 341.415 1.777 0 40 EDAB C[C@@H]1CCCCN1C(=O)CSc1nnnn1C1CCOCC1 69586988 BVMIKYYEMGTOSA-LLVKDONJSA-N 325.438 1.518 0 40 EDAB Cc1cccn2cc(CC(=O)NCCNC(=O)C3CCCCC3)nc12 69594285 YVYNHAHCQXSDPP-UHFFFAOYSA-N 342.443 1.998 0 40 EDAB CCOCCN1CCN(CC(=O)Nc2nc(C)c(C)s2)CC1 69627177 RVONIJMXIVMQND-UHFFFAOYSA-N 326.466 1.353 0 40 EDAB Cc1cccc(C(=O)OCC(=O)NC(=O)NCc2cccs2)c1N 8529396 ORNATIRJCQDWDO-UHFFFAOYSA-N 347.396 1.822 0 40 EDAB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(CC(C)(C)O)CC1 69703047 RPOFNUAHKDIMMA-HOTGVXAUSA-N 342.480 1.122 0 40 EDAB O=C(NC1CCN(C[C@@H](O)c2ccccc2)CC1)C1CCOCC1 69744328 RINHHOOBDLKJOG-GOSISDBHSA-N 332.444 1.727 0 40 EDAB O=C(C[C@H]1NC(=O)NC1=O)NC1c2ccccc2Oc2ccccc21 69777697 URVKKCPDQJNOEF-GFCCVEGCSA-N 337.335 1.596 0 40 EDAB COC(=O)[C@H](O)C1CCN(Cc2cn(-c3ccccc3)nc2C)CC1 92014464 GKVKHNMQLPNXSA-GOSISDBHSA-N 343.427 1.927 0 40 EDAB CN(C)C1CCN(C(=O)NCc2ccc(Cn3cncn3)cc2)CC1 89314072 TXTROYPZLWOZKB-UHFFFAOYSA-N 342.447 1.562 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)N[C@H](c1ccccc1)C1CC1 69875407 DIZBXBUVCPJYQC-MAUKXSAKSA-N 325.416 1.450 0 40 EDAB COc1ccccc1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 69974717 CWOGCTSXEIGCNS-MAUKXSAKSA-N 339.395 1.926 0 40 EDAB O=[S@](CCSc1nnnn1C1CCOCC1)c1ccccc1 69975626 QRZVQGSVLKCWJG-QFIPXVFZSA-N 338.458 1.925 0 40 EDAB CN[C@@H]1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)C1 97019454 ZSRZDMCPYSTBQR-CYBMUJFWSA-N 345.424 1.169 0 40 EDAB COCCN1CCN(Cc2cccc(-c3cnn(C)c3)c2)CC1=O 97051941 DMOOYENORKTIEC-UHFFFAOYSA-N 328.416 1.378 0 40 EDAB Cc1cnc(CNS(=O)(=O)c2c(C)nn(CC(C)C)c2C)o1 97086282 GCLFVTRERUBALI-UHFFFAOYSA-N 326.422 1.931 0 40 EDAB CON(C)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 8921432 GMTRDMPJTXOUER-UHFFFAOYSA-N 334.397 1.799 0 40 EDAB O=c1ccc(-c2ccc3c(c2)OCCCO3)nn1CCn1ccnc1 92893558 NBMKJLFAFSCFAC-UHFFFAOYSA-N 338.367 1.968 0 40 EDAB CC(C)NS(=O)(=O)c1cccc(C(=O)N(C)c2ccnn2C)c1 72295950 VXKLZXKGJMWBJY-UHFFFAOYSA-N 336.417 1.383 0 40 EDAB CC(C)c1nn(C)cc1CNc1cc(N2CCC[C@H]2CO)ncn1 72276283 KNRQYXPGDLSSGH-AWEZNQCLSA-N 330.436 1.907 0 40 EDAB OC[C@H]1CCCN1c1cc(NC[C@H](O)c2cccc(F)c2)ncn1 72276195 DMZSJLTZIFFHLL-CABCVRRESA-N 332.379 1.722 0 40 EDAB CNC(=O)[C@H]1CCCN(C[C@@H](O)COc2cc(C)ccc2Cl)C1 97109372 MLFVVIVGFOBILE-UONOGXRCSA-N 340.851 1.846 0 40 EDAB COc1ccccc1COC(=O)C1CCN(S(C)(=O)=O)CC1 9984945 BMIMYJBVKYCSCF-UHFFFAOYSA-N 327.402 1.410 0 40 EDAB CC(C)(O)CNC(=O)Cc1cccc(I)c1 84326069 MAHCOHHZICTNBR-UHFFFAOYSA-N 333.169 1.721 0 40 EDAB O=C(CN1CCN(Cc2cccc(Cl)c2)CC1)N1CCNC1=O 84367725 DCCLPHWAVLXKKZ-UHFFFAOYSA-N 336.823 1.009 0 40 EDAB Cc1sc(=O)n(CCC(=O)N[C@H]2c3ccccc3C[C@H]2O)c1C 75092546 IQGKTVWDHKLLNU-ZBFHGGJFSA-N 332.425 1.691 0 40 EDAB NC(=O)c1ccc(NCc2ccc(-n3cnc4ccccc43)nc2)nn1 75047912 QZGXCQOIWIVJGA-UHFFFAOYSA-N 345.366 1.922 0 40 EDAB CNC(=O)C(C)(C)CNC(=O)CCc1nnc(-c2ccccc2)o1 89761742 JTWYTCZKCKCWQM-UHFFFAOYSA-N 330.388 1.558 0 40 EDAB Nc1noc(CCNC(=O)Cc2ccccc2Br)n1 76042537 UNWMKPPRIKGHMI-UHFFFAOYSA-N 325.166 1.316 0 40 EDAB O=C(CN1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1)N1CCNC1=O 76060345 SAGHKVBUJDDYDB-SECBINFHSA-N 345.325 1.160 0 40 EDAB CN(C)CCN1CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cccs1 306124491 BRMNAQXVWFWGNT-CHWSQXEVSA-N 329.491 1.147 0 40 EDAB CC(C)n1ncc2ccc(NC(=O)N3CCS(=O)(=O)CC3)cc21 171773755 KIPQWVZZTHQNCU-UHFFFAOYSA-N 336.417 1.880 0 40 EDAB O=C(NCCN1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccco1 26142468 UJRQVCKNZLYGLK-UHFFFAOYSA-N 345.374 1.607 0 40 EDAB CCOc1ccc(NC(=O)C[C@@H](NCCCN(C)C)C(=O)O)cc1 56964123 ZTVIQGJWHRFPHN-OAHLLOKOSA-N 337.420 1.408 0 40 EDAB Cc1ccc(S(=O)(=O)NCc2n[nH]cc2Br)cc1 518887589 GYVVLANPXAQBTA-UHFFFAOYSA-N 330.207 1.959 0 40 EDAB COc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(COC(C)=O)O2)c1 409279349 GUPVJTOGRVMUHE-FSZRXZPDSA-N 343.335 1.071 0 40 EDAB COCCNc1c(-c2ccc(OC)c(OC)c2)nc2n1CCNC2 72341668 VWDLYJGMXAWPFY-UHFFFAOYSA-N 332.404 1.729 0 40 EDAB CC(C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 217496349 ZTCOTPYWZKOOIL-LBPRGKRZSA-N 342.417 1.662 0 40 EDAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC2(COC(C)(C)OC2)C1 70971832 UKCCIHOPJFLFFG-DOMZBBRYSA-N 333.384 1.826 0 40 EDAB CN(C)C(=O)Cn1ccc2cc(NC(=O)NC[C@H]3CCOC3)ccc21 78611606 HUUVQDHYLUUSSN-CYBMUJFWSA-N 344.415 1.888 0 40 EDAB Cc1nc(CCC(=O)N2CCC[C@@]3(C2)C(=O)Nc2ccccc23)n[nH]1 72167665 CCZIWKNNONGJRH-SFHVURJKSA-N 339.399 1.558 0 40 EDAB C[C@](O)(CO)CNC[C@H](O)Cn1c2ccccc2c2ccccc21 564979076 QLJHUOUJTUPZFQ-IFXJQAMLSA-N 328.412 1.488 0 40 EDAB CCOC(=O)c1cc(Cl)c(OCC(=O)NC(N)=O)c(Cl)c1 44865810 AACGHFHLKXGSEQ-UHFFFAOYSA-N 335.143 1.744 0 40 EDAB Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 44388579 QSVNHNZZGZNWAN-UHFFFAOYSA-N 332.381 1.918 0 40 EDAB Cc1cc(C)nc(N[C@]2(C(F)(F)F)N=C3SCCN3C2=O)n1 40267974 WWBARZJUPFHBLU-NSHDSACASA-N 331.323 1.709 0 40 EDAB O=C(Cn1cc(COc2ccccc2F)nn1)NCc1ccco1 227168042 YGFHPAWEDSOWQD-UHFFFAOYSA-N 330.319 1.906 0 40 EDAB Cc1ccc(O[C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)nn1 225428848 WJGYHLWEFNJBGF-CYBMUJFWSA-N 341.367 1.850 0 40 EDAB Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H]2[C@@H]3c4ccccc4C[C@H]32)c1 230177993 MJRDIJXZTKKXKI-DJIMGWMZSA-N 342.420 1.711 0 40 EDAB C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)c1ccnn1C 96109776 APLVOOJCQYBIHA-GFCCVEGCSA-N 329.404 1.760 0 40 EDAB Cc1cccc(CN2C(=O)CCC23CCN(C(=O)CN(C)C)CC3)n1 96228309 REUAPPSEYRSEDG-UHFFFAOYSA-N 344.459 1.435 0 40 EDAB C[C@H]1CCCN(C(=O)CN[C@@](C)(C(N)=O)c2cccc(Cl)c2)C1 95432247 JLSBFWNLUHXLAI-YVEFUNNKSA-N 337.851 1.889 0 40 EDAB Cc1ccc(CN2CCc3ncc(Cn4cncn4)n3CC2)s1 96196986 JYFSLEHITXNJRR-UHFFFAOYSA-N 328.445 1.951 0 40 EDAB COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@]1(CO)O5 96316415 MBCREQDZNVPNRN-VHKYSDTDSA-N 341.407 1.787 0 40 EDAB biogenic,in-vitro Cc1nc(COC[C@]23COC[C@H]2CN(C(=O)CN(C)C)C3)cs1 96209429 NRMWVFWEAYJTEJ-CJNGLKHVSA-N 339.461 1.005 0 40 EDAB O=c1ccc2c(n1Cc1ccncc1)CC[C@@H](N[C@@H]1CCOC1)C2 96196614 VENXNQZZSMTCES-IAGOWNOFSA-N 325.412 1.527 0 40 EDAB CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3cccc(OC)c3)C[C@@H]2N1C(C)C 96182708 CFXCFWNNPPSXBN-OIISXLGYSA-N 345.443 1.365 0 40 EDAB C[C@@](O)(CNS(=O)(=O)c1cncc(F)c1)c1ccc(F)cc1F 96483519 JSOYXGKLEQYPHX-CQSZACIVSA-N 346.330 1.685 0 40 EDAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2noc(C(C)(C)C)n2)C1 583618944 LHOIEJRDUVBCHH-STQMWFEESA-N 336.436 1.579 0 40 EDAB Cc1nnc([C@H]2CN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)CCO2)o1 583623013 KVBDBURMWUDNHC-HZPDHXFCSA-N 343.383 1.898 0 40 EDAB O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1ccc(-n2cnnn2)cc1 96117473 KRIGUNIDQZYXQR-UHFFFAOYSA-N 333.311 1.151 0 40 EDAB CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)c1ccno1)C2 96259175 WAHGTONNVPAZHX-UHFFFAOYSA-N 345.403 1.440 0 40 EDAB CC1(C)CN(C(=O)Cc2ccn(-c3ccccc3)n2)C[C@H](CO)O1 584166528 DBTMCTAXCWUHPZ-MRXNPFEDSA-N 329.400 1.413 0 40 EDAB C[C@]1(C(=O)O)CCN(S(=O)(=O)c2cc(C(=O)O)ccc2F)C1 1593798077 YZLHYTXVHQYFDY-ZDUSSCGKSA-N 331.321 1.009 0 40 EDAB Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)C2CCC2)C1 96244465 UQADILRKFDEIMH-SFHVURJKSA-N 330.432 1.651 0 40 EDAB Cc1nc(CN2Cc3nccn3C[C@@H](CN3CCOCC3)C2)cs1 96188497 MNRKANROLNXJBA-HNNXBMFYSA-N 347.488 1.612 0 40 EDAB COC(=O)c1cc(Cl)c(NC(=O)N2CC[C@@H](O)C2)cc1OC 95948183 WXXISOBGEKYKFL-MRVPVSSYSA-N 328.752 1.734 0 40 EDAB Cc1occc1C(=O)N1C[C@H](C(=O)NCC2CC2)C2(CCOCC2)C1 96078626 SNBBQNBYBFYDTR-MRXNPFEDSA-N 346.427 1.983 0 40 EDAB CCOCC(=O)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 248264667 CYVIRHMMVKQORY-AWEZNQCLSA-N 344.419 1.170 0 40 EDAB Nc1ncnc2c1ncn2CCCNC(=O)C1(C(F)F)CCCC1 585127024 OGZMXFDHXQIBTH-UHFFFAOYSA-N 338.362 1.740 0 40 EDAB CC(C)(C)CN1CCC[C@H](N2CCC(N3CCOCC3)CC2)C1=O 585116033 FAXVYFKDPPVAMF-KRWDZBQOSA-N 337.508 1.820 0 40 EDAB CCc1nnsc1C(=O)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257236933 HEJYFYUKKQFCFH-MGPQQGTHSA-N 338.477 1.598 0 40 EDAB CCOc1ccc(OCC(=O)NC2CCN(CCOC)CC2)cc1 85467966 YFWQUIZWDCBKBE-UHFFFAOYSA-N 336.432 1.691 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(C(=O)Cc3sc(C)nc3C)CCO2)n1 257256681 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0 40 EDAB Cn1ccnc(NC(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c1=O 274324685 ZPGCQQTUXWDQES-NSHDSACASA-N 336.392 1.366 0 40 EDAB O=[S@]1C[C@@H]2C[C@H]1CN2C[C@@H](O)Cc1ccccc1C(F)(F)F 593102412 WOMAHFDRLIQNQL-BADSZBLNSA-N 333.375 1.814 0 40 EDAB COc1cccc2c(=O)c(C(=O)N[C@H](CO)CCSC)c[nH]c12 604419249 XKUBIGBSGCJIHG-JTQLQIEISA-N 336.413 1.381 0 40 EDAB COCCn1c(C(=O)N2CCCCS2(=O)=O)cc2ccccc21 1615583821 FTGPTOKULDYGHO-UHFFFAOYSA-N 336.413 1.854 0 40 EDAB c1cnn(-c2cc(-c3noc([C@]45CNC[C@H]4CCOC5)n3)ccn2)c1 1615618105 SPURGOJRDAZODU-DYVFJYSZSA-N 338.371 1.195 0 40 EDAB CN1CCN(Cc2ccc(C(=O)N3CCO[C@H]4CCC[C@H]43)s2)CC1 1615996541 HHXPOXLKAAUUQH-CVEARBPZSA-N 349.500 1.889 0 40 EDAB COCCCN[C@H](C)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1616038855 UBYXHILPNJKFSU-GFCCVEGCSA-N 339.440 1.757 0 40 EDAB O=C(COc1ccccc1F)N1CC[C@@H](Oc2ncc(F)cn2)C1 390828105 OTBRBSWBTDHBPA-GFCCVEGCSA-N 335.310 1.814 0 40 EDAB Cc1ccoc1C(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1 575406191 XVJPTPSDKHLBGD-CQSZACIVSA-N 344.371 1.536 0 40 EDAB OCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(F)c3)C2)cc1 585267188 GWFSMPZQIAGXRY-OALUTQOASA-N 347.386 1.821 0 40 EDAB CCOCC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCc2ccco2)C1 585096017 YLVXITPLDQEXTM-AWEZNQCLSA-N 346.387 1.102 0 40 EDAB CC(C)N1CC2(C1)OCC[C@H]2CCNS(=O)(=O)c1ccccc1 585102849 KNNRCHHAFPVUBA-OAHLLOKOSA-N 338.473 1.854 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)c3ocnc3C)CCO2)c1 585278784 VGYWLHYHYRNGOY-GOSISDBHSA-N 330.384 1.738 0 40 EDAB Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCOCC1 585097842 RTLYYIKQWGLSFI-HNNXBMFYSA-N 344.415 1.531 0 40 EDAB CNC(=O)[C@@H]1COC2(CN(Cc3cccc(F)c3)C2)CN1CC1CC1 585109384 MLBIBNQTLZPDFX-KRWDZBQOSA-N 347.434 1.237 0 40 EDAB CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCc1ccc2c(c1)OCCCO2 677960953 VBPFXFBMURNPJZ-UONOGXRCSA-N 347.415 1.562 0 40 EDAB CCc1cc(=O)n2nc(N[C@@H](CO)Cc3ccccc3)sc2n1 69324063 DPCLRDBHDIHUQY-CYBMUJFWSA-N 330.413 1.729 0 40 EDAB Cc1cccc(OC[C@@H](O)CN[C@@H]2CCCN(c3cccnn3)C2)c1 69969102 FHVZPASPPUVTOA-SJORKVTESA-N 342.443 1.783 0 40 EDAB Cn1nc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)ccc1=O 46335139 AGFZKJWKBVZSBX-ZDUSSCGKSA-N 342.403 1.076 0 40 EDAB CCCCc1nc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)no1 52891750 MTWUMRWZXQIPKD-UHFFFAOYSA-N 344.293 1.740 0 40 EDAB Cc1cc(N2CCN(C(=O)c3cc(C)[nH]n3)CC2)nc(C(C)C)n1 54132889 IKIZCWIQQWYOGD-UHFFFAOYSA-N 328.420 1.902 0 40 EDAB C[C@H](NC(=O)c1cnns1)[C@H]1CN(Cc2ccccc2)CCO1 75145767 CWXIVYOXNXRNKR-GXTWGEPZSA-N 332.429 1.557 0 40 EDAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1OC 75572316 AUMSKXDPYQOIBK-JTQLQIEISA-N 329.374 1.250 0 40 EDAB CC[C@@H]1C[C@H](C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CCO1 97059881 WEXXGUYNGKFFCM-NZSAHSFTSA-N 346.471 1.727 0 40 EDAB Cc1nsc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)n1 664184746 PJRGBMUNLUBBIF-BETUJISGSA-N 328.397 1.468 0 40 EDAB c1coc(-c2ccc(N3CCN(c4ccc5nncn5n4)CC3)nn2)c1 1775977237 HDFSAAVDQAMUGM-UHFFFAOYSA-N 348.370 1.501 0 40 EDAB Cc1ccc(N2C[C@H](NC(=O)NCCCn3ccnc3)CC2=O)cc1 5084248 KMRYOIRFLZAUAR-OAHLLOKOSA-N 341.415 1.686 0 40 EDAB Cn1c(=O)c(S(=O)(=O)O)c2c3c(cccc31)C(=O)c1ccccc1-2 11691642 MMIIUTAQRLZGDB-UHFFFAOYSA-N 341.344 1.997 0 40 EDAB Cc1ccc2c(c1)cc(C)c1nn(CC(=O)N3CCOCC3)c(=O)n12 12181974 SOWWTSWGEMZUMG-UHFFFAOYSA-N 340.383 1.125 0 40 EDAB Cn1c(=O)oc2cc(S(=O)(=O)N[C@H]3C[C@@H]3c3ccccc3)ccc21 12241733 KFJMFRSLEZKSAO-KGLIPLIRSA-N 344.392 1.966 0 40 EDAB O=C(C1CCCC1)N1CC[C@@H](c2cc(O)nc(N3CCOCC3)n2)C1 12367202 OFJKWDUOUVLRTM-CQSZACIVSA-N 346.431 1.525 0 40 EDAB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 13988417 CBWQETBNSAFLAK-VXGBXAGGSA-N 349.408 1.958 0 40 EDAB CO[C@@H]1C[C@@H](c2nncn2C)N(c2nc(C)cc(C(F)(F)F)n2)C1 518410456 QWKRWXGOBLZHKE-ZJUUUORDSA-N 342.325 1.899 0 40 EDAB Cc1cccn(CC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1=O 583621246 DQIULSKYFXSWDC-BBRMVZONSA-N 348.349 1.769 0 40 EDAB COc1ccc(F)cc1C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 5628539 KTAUPRPSLJWOJQ-UHFFFAOYSA-N 348.330 1.750 0 40 EDAB C[C@H](C(=O)NCCn1cccc1)n1nc(C(F)(F)F)ccc1=O 1888901235 CDOVQLNZFMAUPR-SNVBAGLBSA-N 328.294 1.441 0 40 EDAB COc1cccc(-c2cc3c(=O)n(CC(=O)NC(C)C)ccn3n2)c1 1888967307 MTVXDBIUMVKNDW-UHFFFAOYSA-N 340.383 1.696 0 40 EDAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(C[C@H]2CCCO2)CC1 23675319 PNLHOQPSTAKCSX-GOSISDBHSA-N 340.427 1.809 0 40 EDAB Oc1ccc(N2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)cc1 23624645 XDGCXLFDHUKUGF-MSOLQXFVSA-N 336.432 1.071 0 40 EDAB CCOC(=O)C1=C(CSc2ncccc2Cl)NC(=O)NC1 25716464 JPDNCTCGKJGHBV-UHFFFAOYSA-N 327.793 1.957 0 40 EDAB CC(C)N1CCCC[C@]2(CN(C(=O)Cc3cccnc3)CCO2)C1=O 2037984717 LIFIIFPQGKNMMR-IBGZPJMESA-N 345.443 1.643 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)C2(F)CC2)C1 1614928432 NZWVFQQWTXSFLW-RBSFLKMASA-N 347.390 1.206 0 40 EDAB O=C(Cc1ccc(F)cn1)N1[C@H]2COC[C@H]1CC(OCC1CC1)C2 1565549064 ORMXXTHHISNAII-HZPDHXFCSA-N 334.391 1.948 0 40 EDAB C[C@H]1CC[C@H](C(=O)N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)CC1 1565554342 YEQICICJOHUXES-HDJSIYSDSA-N 340.489 1.839 0 40 EDAB O=C(NCc1ccco1)c1noc2c1C[C@@H](Nc1ncccn1)CC2 2055772656 JZJQCYAEUZFYFY-NSHDSACASA-N 339.355 1.957 0 40 EDAB CCN1CCN(C[C@H](O)COCCOc2ccc(Cl)cc2)CC1 22466270 SAQINUWZOGUBSQ-INIZCTEOSA-N 342.867 1.734 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2c(F)cccc2s1 44357570 WSSJINSSEDQMMQ-SECBINFHSA-N 343.405 1.798 0 40 EDAB Cc1nc(N2CCN(Cc3nc(C)no3)CC2)cc(C(F)(F)F)n1 522074289 YSRMGHNQZDNJNE-UHFFFAOYSA-N 342.325 1.817 0 40 EDAB COc1ccccc1S(=O)(=O)N1CC[C@@H](Oc2cnsn2)C1 618257191 RDKBPCUNFBOCAS-SNVBAGLBSA-N 341.414 1.389 0 40 EDAB CCOC(=O)CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1 30332414 YSLAZOKETXQXNG-UHFFFAOYSA-N 335.809 1.970 0 40 EDAB Cc1nn(C)c(Cl)c1CNC[C@H](O)CN1CCc2ccccc2C1 30903521 RDHYVISWJDRPPB-INIZCTEOSA-N 348.878 1.891 0 40 EDAB O=C(CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2)N1CCCC1 40496852 XYKINJMOXAVOSA-UHFFFAOYSA-N 345.804 1.606 0 40 EDAB O=C1CN(c2ccc(NC(=O)CCc3ccccc3O)cn2)CCN1 31718848 ZOJUVVNZMCZUBT-UHFFFAOYSA-N 340.383 1.295 0 40 EDAB Cc1ccccc1OC[C@@H](O)CN1CCC(N2CCNC2=O)CC1 51449869 UYMKCSNEWCJRLD-INIZCTEOSA-N 333.432 1.224 0 40 EDAB NC(=O)NCc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)cc1 21474779 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CC[C@@H](C)c1ccccc1OCC(=O)N1CC[C@H](OCC(N)=O)C1 72312695 WBWCVMQCGRDPJJ-KGLIPLIRSA-N 334.416 1.682 0 40 EDAB COC(=O)c1c(C(=O)OC)c(-c2ccccc2)n2c1CS(=O)(=O)C2 1403066 FIPRWYMHNVEFJB-UHFFFAOYSA-N 349.364 1.614 0 40 EDAB CN(C)c1ncnc2c1CN(CCS(=O)(=O)c1ccccc1)CC2 97202500 DTMJSKNGKIPHGM-UHFFFAOYSA-N 346.456 1.375 0 40 EDAB COc1ccc(-c2nnn(CC(=O)NCCc3ccccc3)n2)cc1 4213492 OKPNXDDUPBGRDY-UHFFFAOYSA-N 337.383 1.708 0 40 EDAB Cc1cccc(C)c1-n1nnnc1CN1CCN(C[C@H](C)O)[C@@H](C)C1 107497126 WOIMHQWKOAFJBK-HOTGVXAUSA-N 344.463 1.166 0 40 EDAB COc1ccc(C(=O)N[C@H]2C(=O)NN[C@H]2c2ccc(C)cc2)cc1 6480121 LJDHNDHATUFCQJ-JKSUJKDBSA-N 325.368 1.478 0 40 EDAB CCC(CC)n1nc(C(=O)NC2CCS(=O)(=O)CC2)cc1C 97231145 MLUSWRCXYFFZRS-UHFFFAOYSA-N 327.450 1.860 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 6845655 OPCRUYWZCROQEC-QUEVPRLRSA-N 342.395 1.825 0 40 EDAB Cc1cccc(OC2CCN(CC(=O)N3CCN(C)CC3)CC2)n1 97238676 WQOBLPCXCMHJFS-UHFFFAOYSA-N 332.448 1.007 0 40 EDAB O=C(CN1CSCC1=O)Nc1cc(Cl)ccc1-n1cncn1 8040071 DRJBFELDTFIGAW-UHFFFAOYSA-N 337.792 1.392 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](C)n3cccn3)cn2)C[C@@H](C)O1 44536552 MFGBRBCHTOVXLM-RBSFLKMASA-N 343.431 1.769 0 40 EDAB CN(CCOc1ccc(Cl)cc1)CCN1C(=O)NC(C)(C)C1=O 44648943 GPYQECLGMDCBTF-UHFFFAOYSA-N 339.823 1.981 0 40 EDAB CCOC(=O)N1CCN(S(=O)(=O)N2CCc3ccccc32)CC1 58051913 ZYPCBLLXTJYJHV-UHFFFAOYSA-N 339.417 1.068 0 40 EDAB CC(=O)N1CCC(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CC1 58016674 AUGHWJMAISZMED-UHFFFAOYSA-N 345.378 1.456 0 40 EDAB CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccn(-c3ccncc3)n2)C1 72702876 NMSQKQYNNQQGPH-CYBMUJFWSA-N 342.403 1.599 0 40 EDAB CCN1CCC[C@H]1CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 44890057 JQNTZWHKPOFYRG-HNNXBMFYSA-N 331.395 1.929 0 40 EDAB CC(C)COc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 44892252 PEIVOXZCRBWEJQ-UHFFFAOYSA-N 345.399 1.536 0 40 EDAB CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 58244801 GTXFUYHOQGZGSD-NSHDSACASA-N 330.837 1.829 0 40 EDAB C[C@@H](CNC(=O)CSc1nnnn1C)c1nc2ccccc2s1 58290243 DQQPYYCQLMUQFQ-VIFPVBQESA-N 348.457 1.832 0 40 EDAB CC(C)(C)OC(=O)NCCC(=O)NC[C@@H](O)c1cccc(F)c1 58278085 ZWWFDQZXESPGID-CYBMUJFWSA-N 326.368 1.890 0 40 EDAB COCCn1ccc2cc(NC(=O)CCN3C(=O)CCC3=O)ccc21 58244821 FWOGCRWOKLKAJN-UHFFFAOYSA-N 343.383 1.765 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)C1=NN(c2ccccc2)C(=O)CC1 44934081 JMPCEOMUWANEBE-ZDUSSCGKSA-N 325.372 1.571 0 40 EDAB C[C@H]1CN(CCNC(=O)NCCc2ccc3c(c2)OCO3)C[C@H](C)O1 44952015 NCEGIECPHGGEMG-KBPBESRZSA-N 349.431 1.366 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)NCCOc1ccc2c(c1)OCO2 44955166 JARXRLXGBKLTTE-LBPRGKRZSA-N 332.360 1.379 0 40 EDAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2cc(C)nc3ncnn23)C1 58311148 GADNXAIUXLXJEC-GXTWGEPZSA-N 330.436 1.954 0 40 EDAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccc(O)cc1 10523488 SHHBGGCGAINAQK-UHFFFAOYSA-N 329.287 1.987 0 40 EDAB CC(C)N(CC(=O)NCC1CC1)Cc1nc2ccccc2c(=O)[nH]1 58407197 ASQQXDJXOKYAJI-UHFFFAOYSA-N 328.416 1.660 0 40 EDAB O=C(Cn1cnc2ccccc2c1=O)Nc1cccnc1-n1cncn1 58402290 KKHIBPGZIJAIBZ-UHFFFAOYSA-N 347.338 1.011 0 40 EDAB COC(=O)[C@H]1C(=O)c2c([nH]c(C(=O)OC[C@@H]3CCCO3)c2C)C[C@@H]1C 101334166 ONXLEUZXCQNZNJ-XHVZSJERSA-N 349.383 1.823 0 40 EDAB Cc1ccc(C(=O)N[C@H](C(=O)N2CCCN(C)CC2)C(C)C)cc1 97617755 CRPNLWWOAWZMTC-KRWDZBQOSA-N 331.460 1.914 0 40 EDAB c1cc(CN2CCOC[C@@]3(CC[C@@H](CN4CCOCC4)O3)C2)ccn1 107739702 ZIUIARWBNQZANO-RBUKOAKNSA-N 347.459 1.164 0 40 EDAB O=C(O)CNS(=O)(=O)c1ccc(Br)cc1Cl 3289744 KLOLJDKVVISHRN-UHFFFAOYSA-N 328.571 1.465 0 40 EDAB COCCSc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 11620618 NXFIOYJNZSQCJV-UHFFFAOYSA-N 346.416 1.199 0 40 EDAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3cccnc3N(C)C)CCO2)n1 84630864 VHJJFDKNLTURBW-ZDUSSCGKSA-N 344.419 1.603 0 40 EDAB CN(C)c1ncccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1 46945986 OQUZWWWPDVXTDQ-AWEZNQCLSA-N 342.399 1.662 0 40 EDAB Cc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c(=O)[nH]1 61563126 OGISFYLNGXCWJY-UHFFFAOYSA-N 343.387 1.191 0 40 EDAB C[C@@H](OC(=O)c1ccc(C(N)=O)cc1)c1nc2ccccc2c(=O)[nH]1 23046089 OSPYMABHYJOGSA-SNVBAGLBSA-N 337.335 1.940 0 40 EDAB CNC(=O)[C@H](C)CN(C)C(=O)NC[C@H](c1cccs1)N(C)C 95406620 FHNBPKBFGTYXDW-VXGBXAGGSA-N 326.466 1.374 0 40 EDAB CN1C(=O)Cc2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)ccc21 12647570 PNVFQAWNAGGDLB-UHFFFAOYSA-N 346.364 1.705 0 40 EDAB C[C@H](NS(=O)(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1 48232187 UANFVAJQMVNJKE-JTQLQIEISA-N 338.351 1.933 0 40 EDAB O=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@H](O)c1cccc(Cl)c1 48229685 BFNROWOWNCXJMT-GWCFXTLKSA-N 346.836 1.107 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2F)CC1 57355092 HIUVSGURNXZSOF-RHSMWYFYSA-N 333.407 1.509 0 40 EDAB O=C1CN(C(=O)c2ccc(CNCc3cccc(F)c3)cc2)CCN1 48716896 GPBPTIYGOVAGRB-UHFFFAOYSA-N 341.386 1.688 0 40 EDAB CCN(CC)c1ccc(C(=O)N(CC(=O)O)C[C@H]2CCCO2)cn1 95424813 ZTZJWYFVKMOPOG-CQSZACIVSA-N 335.404 1.634 0 40 EDAB Cc1[nH]ncc1CCCNC(=O)NC1CCN(c2ncccn2)CC1 65453900 JJJCYNSWIVLUES-UHFFFAOYSA-N 343.435 1.409 0 40 EDAB Cn1ccnc1CN1CCN(Cc2nc(-c3cccnc3)no2)CC1 65610797 BJWCDSFSKWBUPK-UHFFFAOYSA-N 339.403 1.183 0 40 EDAB Cc1cn2nc(N3CCN(C(=O)c4cccc(O)c4)CC3)sc2n1 65626119 NVBOBMMXXGZNSN-UHFFFAOYSA-N 343.412 1.767 0 40 EDAB Cc1cc(C)c(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 4829744 RBXGCVCGLKMTMB-UHFFFAOYSA-N 340.383 1.242 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)Cn1cc(C(F)(F)F)ccc1=O 7086140 PBOBKAOIERJKKO-UHFFFAOYSA-N 347.337 1.240 0 40 EDAB C[C@H]1CCc2c(sc3ncn(Cc4nnnn4C4CC4)c(=O)c23)C1 96402294 JRWQNQVYFVEWPY-VIFPVBQESA-N 342.428 1.953 0 40 EDAB CCn1nccc1/C=C/C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 95435520 QJCHOTUBRSVAOB-AATRIKPKSA-N 347.488 1.942 0 40 EDAB Cc1cc(S(=O)(=O)NCCN[C@@H](C)c2cnn(C)c2)c(C)s1 90580200 LLDRZWNDJIWBKQ-NSHDSACASA-N 342.490 1.728 0 40 EDAB COC(=O)C1CCN(CC(=O)Nc2cc(OC)ccc2OC)CC1 7636777 VNXWKQYPHLIAQL-UHFFFAOYSA-N 336.388 1.527 0 40 EDAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 71865840 QNIKRECETPEIHS-GOEBONIOSA-N 330.432 1.584 0 40 EDAB Cc1ccc(NC2CCN(C(=O)CCc3cnn(C)c3)CC2)nn1 71863561 LDHRRQVBQHVFFK-UHFFFAOYSA-N 328.420 1.554 0 40 EDAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCN(CC(N)=O)CC2)cc1C 71837361 HOJIFOODSGJAPQ-IRXDYDNUSA-N 329.444 1.427 0 40 EDAB Cc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)no1 8164484 AWUSXJGYOSBMCC-UHFFFAOYSA-N 349.412 1.271 0 40 EDAB CC[C@@H](O)CN1CCN(C(=O)c2cn(-c3cccc(C)c3)nn2)CC1 70004230 KPXWUBAHIWBXQW-MRXNPFEDSA-N 343.431 1.104 0 40 EDAB CC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 69349627 SSGDPGNWNCKVMJ-IAGOWNOFSA-N 349.862 1.724 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CC(=O)Nc3ccncc3)CC2)n1 69351254 DDUAUPYXLSCBMS-GFCCVEGCSA-N 330.392 1.090 0 40 EDAB CC(=O)NCCC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 8345787 HZOQPEOMKQNRFA-UHFFFAOYSA-N 341.433 1.180 0 40 EDAB CCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 8315311 ASKVVVKWHUGBHY-UHFFFAOYSA-N 344.433 1.102 0 40 EDAB Cc1ccccc1-n1ncc(C(=O)N(C)CCN2CCOCC2)c1C 69442992 IZGPJSHTCPAXRA-UHFFFAOYSA-N 342.443 1.893 0 40 EDAB Cc1cnn([C@@H]2CCCN(C(=O)c3cccnc3-n3cncn3)C2)c1 69415597 KPQJGGHSCLSFCM-CQSZACIVSA-N 337.387 1.645 0 40 EDAB C[C@@H](NS(=O)(=O)c1ccccc1F)c1nnnn1-c1ccccc1 71909142 FNRSGMWXGCKPOL-LLVKDONJSA-N 347.375 1.841 0 40 EDAB CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(C(=O)NC)cc1 69597078 MDPCNSDAHVOODN-GFCCVEGCSA-N 327.450 1.055 0 40 EDAB CCn1c(=O)[nH]c2cc(C(=O)O[C@H]3CCC[C@@H]3OC)ccc2c1=O 69666746 CYAYJEIKHIZENI-KBPBESRZSA-N 332.356 1.434 0 40 EDAB CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](C(N)=O)C1 69742023 RFZAUZGEPFXQSE-NEPJUHHUSA-N 341.477 1.048 0 40 EDAB CC(C)N1C(=O)C(=O)N(CC(=O)N2c3ccccc3CC[C@@H]2C)C1=O 9744705 RIIVMUCDJFBJBL-LBPRGKRZSA-N 343.383 1.554 0 40 EDAB CCn1nc(C)c(CNC2CCN(S(=O)(=O)C3CC3)CC2)c1C 84962025 FVBJWCPEKPUGSH-UHFFFAOYSA-N 340.493 1.566 0 40 EDAB COc1ccc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)c(OC)c1 9112056 STAJOLQHEAHRBM-LLVKDONJSA-N 345.442 1.563 0 40 EDAB Cn1nccc1CNC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 97049202 MWBPDRQJSWSZRJ-AWEZNQCLSA-N 343.435 1.785 0 40 EDAB Cc1nc(C)n(C[C@@H]2CN(Cc3cn4cccc(C)c4n3)CCO2)n1 72267563 LYWFKKCPEBWKHL-KRWDZBQOSA-N 340.431 1.752 0 40 EDAB O=S1(=O)CCC[C@H](NC[C@@H](c2ccccc2)N2CCOCC2)C1 95984909 IFQZEATXSSMZBF-IRXDYDNUSA-N 338.473 1.227 0 40 EDAB C[C@@H](CN1CCOCC1)OC(=O)c1cncc(Br)c1 97107114 IPSXSTDIVUSIKL-JTQLQIEISA-N 329.194 1.722 0 40 EDAB CN(C)c1ccnc(C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)c1 97165170 LWVSQEFHHCVPSP-HNNXBMFYSA-N 341.415 1.759 0 40 EDAB CC(=O)NCc1ccc(C(=O)N[C@H]2CCc3nc(C)cn3C2)cc1 97198185 LNLBVFYIKMQYHJ-INIZCTEOSA-N 326.400 1.572 0 40 EDAB CCn1nc(C)cc1C(=O)N[C@H](C)c1nnnn1-c1ccccc1 75139612 BDMQQANIGYEYRW-GFCCVEGCSA-N 325.376 1.678 0 40 EDAB Cc1nc2ccccc2n1CCNC(=O)CN(C)[C@H]1CCSC1 89729984 DXMCNHIJGNTJNQ-AWEZNQCLSA-N 332.473 1.898 0 40 EDAB CN(C)c1ncc(NC(=O)N2CC(C)(C)[C@H]2c2nccn2C)cn1 556584343 HUKAEGJCCXFKBA-GFCCVEGCSA-N 329.408 1.891 0 40 EDAB CCCCCOC[C@@H](O)CNCCNC[C@H](O)COCCCCC 22584280 PSPSDCDWUSVNRF-ROUUACIJSA-N 348.528 1.301 0 40 EDAB C[C@H](Cn1cncn1)NC(=O)NC[C@](C)(O)c1ccccc1Cl 120774620 RAPXSNWZETYUOE-ABAIWWIYSA-N 337.811 1.527 0 40 EDAB CC(=O)N1C[C@@H](NC(=O)c2coc(=O)c3ccccc23)CC[C@H]1C 1018309674 ZZKBVAFSIHYABM-YPMHNXCESA-N 328.368 1.922 0 40 EDAB CCOc1ccc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)cc1C 530652190 ZVLPMEJWASDMEP-UHFFFAOYSA-N 338.429 1.389 0 40 EDAB C[C@@H](NC(=O)CN1CCCCC1)c1cc(O)nc(-c2ccncc2)n1 72390197 RBIHGXNTFFHVER-CYBMUJFWSA-N 341.415 1.907 0 40 EDAB C[C@@H](Oc1ccc(S(N)(=O)=O)cc1)C(=O)NC1CCCCC1 38556531 IIHDTYATYZBSTK-LLVKDONJSA-N 326.418 1.550 0 40 EDAB CC1CCN(C[C@H](O)Cn2ccnc2[C@H](O)c2cccnc2)CC1 189454660 KHWZQMNSIUQTIZ-DLBZAZTESA-N 330.432 1.453 0 40 EDAB O=C(CCn1cnccc1=O)Nc1cc(C2CCCCCC2)[nH]n1 559908576 WRSRRMBJIPTJOZ-UHFFFAOYSA-N 329.404 2.433 0 40 EDAB CCOc1cc(C(=O)N2Cc3cnnn3Cc3ccccc32)on1 560271805 JLROAEWXZACLNR-UHFFFAOYSA-N 325.328 1.874 0 40 EDAB CN1CC[C@@H](c2nn(CCNC(=O)C(C)(C)C)c3nccnc23)C1 72391636 XNFAEOAVQPOYRB-GFCCVEGCSA-N 330.436 1.408 0 40 EDAB Cc1cc(CCC(N)=O)cc(C2CCN(Cc3ncc[nH]3)CC2)n1 72360537 WJFMPLKOIYQTGT-UHFFFAOYSA-N 327.432 1.911 0 40 EDAB CC(C)Cc1nc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)n[nH]1 79474067 SUMMOMVIBIFTAF-GFCCVEGCSA-N 329.408 1.648 0 40 EDAB CN(C)C(=O)[C@]1(C)CN(Cc2c[nH]nc2-c2ccccc2)CCO1 72379874 DJNOTEGHGKYZSJ-SFHVURJKSA-N 328.416 1.756 0 40 EDAB COc1cccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)c1 211095195 HIVUKPKWEKEYMX-UHFFFAOYSA-N 348.428 1.564 0 40 EDAB COC(=O)C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(OC)c(OC)c1 44889122 GCWDTXJKXUOYOC-GXTWGEPZSA-N 337.372 1.603 0 40 EDAB O=C(Cc1ccccc1)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1 72321066 XWWDBAIGIYJCMT-VQIMIIECSA-N 340.379 1.416 0 40 EDAB biogenic,in-vitro Cn1nnnc1N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 567768437 NOVVMDZFYMHGKY-ZDUSSCGKSA-N 332.383 1.272 0 40 EDAB CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nocc3C)cc2CC1 225435255 LOFDRABJIVLVQH-UHFFFAOYSA-N 349.412 1.731 0 40 EDAB C[C@H]1Cn2nc(C(=O)Nc3ccc4c(c3)NC(=O)CC4)cc2CN1 1576870512 BZZFNKYQIUGIEQ-JTQLQIEISA-N 325.372 1.512 0 40 EDAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc2c(c1)COC2 64490328 MLOGEXBIXFSVHM-SFHVURJKSA-N 348.468 1.655 0 40 EDAB Cc1ccc(C(=O)NCc2ccnc(N3CCOCC3)n2)cc1C 224215336 WOAKSPIRAHEXAQ-UHFFFAOYSA-N 326.400 1.860 0 40 EDAB COc1ccccc1CNS(=O)(=O)c1cnc(NC(C)=O)s1 223811121 IMLNBUFTTMESGJ-UHFFFAOYSA-N 341.414 1.589 0 40 EDAB Cn1c(C(F)(F)F)nn(CCNC(=O)c2ccccc2Cl)c1=O 85555730 COUDNMLPXQEKIX-UHFFFAOYSA-N 348.712 1.684 0 40 EDAB O=C1C[C@H](N2CCN(C3CCCCC3)CC2)C(=O)N1CC(F)(F)F 195245571 YNLHIUITFRCJQC-ZDUSSCGKSA-N 347.381 1.627 0 40 EDAB Cc1ccccc1Cn1cc(NC(=O)c2nccnc2C(=O)O)cn1 85475691 IDJLSIYGPAAJJU-UHFFFAOYSA-N 337.339 1.980 0 40 EDAB COCc1cnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@H]2C 96109555 VAPBPFNXOAOJSA-NSHDSACASA-N 329.356 1.975 0 40 EDAB CC(C)CN1CCN(C)C(=O)C12CCN(Cc1nccs1)CC2 96230256 BTWBYENQPHYNKG-UHFFFAOYSA-N 336.505 1.908 0 40 EDAB CC(C)(C)C(=O)Nc1cnn(Cc2nnnn2-c2ccccc2)c1 96447963 KMPHRIPYZFNDJT-UHFFFAOYSA-N 325.376 1.892 0 40 EDAB CC(=O)N1CCC(CNC(=O)c2sc3ncccc3c2N)CC1 585129764 VHHMZJPGPPFEJR-UHFFFAOYSA-N 332.429 1.867 0 40 EDAB Cn1cccc1C(=O)N1CC[C@]2(C[C@@H](Nc3ccccn3)CO2)C1 96219093 KXUVOLYAJGAFII-KDOFPFPSSA-N 326.400 1.906 0 40 EDAB COC(=O)c1cccc2nc(NC(=O)CCCN(C)C(=O)OC)cn12 585124423 COAHMQFCCDKPNU-UHFFFAOYSA-N 348.359 1.538 0 40 EDAB CN(CCCCO)C(=O)[C@H]1CN(Cc2ccccc2)C[C@@]12CCOC2 585121894 FAMSIMLGNNSGHV-UYAOXDASSA-N 346.471 1.756 0 40 EDAB CNC(=O)C1(N2CCC[C@H]2C(=O)NCc2ccccc2)CCOCC1 96113117 VVRVVXIMYBLBKB-INIZCTEOSA-N 345.443 1.062 0 40 EDAB biogenic,in-vitro CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(CO)cc2)C1 585129938 CIGZEBINJSNDSJ-CYBMUJFWSA-N 326.418 1.179 0 40 EDAB Cc1cc(C)n(-c2ccc(CCNC(=O)NCC[S@@](C)=O)cc2)n1 96408761 PVVVWPSFNXOLOL-DEOSSOPVSA-N 348.472 1.709 0 40 EDAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)CNC(=O)C2CC2)C1 96409533 SMQPZMLJIVWCAM-OAHLLOKOSA-N 333.407 1.745 0 40 EDAB C[C@]1(c2nc(-c3ccc(N4CCCC4)nc3)no2)CCC(=O)NC1 585084005 BGLJBGOKWNJGOC-KRWDZBQOSA-N 327.388 1.900 0 40 EDAB O=C1NC2(CCN(c3ncc(F)cn3)CC2)C[C@H]1c1cccnc1 96069570 CMYFQVQHTKDBAW-AWEZNQCLSA-N 327.363 1.653 0 40 EDAB O=S(=O)(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1c[nH]cn1 96483487 SPHLXBHEMOWPOP-SNVBAGLBSA-N 335.307 1.440 0 40 EDAB CN(C)C(=O)CO[C@@H]1COC2(CCN(Cc3ccccn3)CC2)C1 96047833 DSIHMFNSJRVIFW-INIZCTEOSA-N 333.432 1.310 0 40 EDAB O=C(N[C@H](c1nnn(CCn2cccn2)n1)C1CC1)c1ccccc1 96410934 GYEUCKMKEYKTGT-HNNXBMFYSA-N 337.387 1.451 0 40 EDAB c1csc(CN2CCC[C@]3(COCCN(Cc4c[nH]nn4)C3)C2)c1 96049496 CUJLVTXBAVASJG-KRWDZBQOSA-N 347.488 1.981 0 40 EDAB CC(C)CN1CCO[C@H](CNc2ccc3nnc(C4CC4)n3n2)C1 96453236 FHIXQWWTVSFQDL-CQSZACIVSA-N 330.436 1.770 0 40 EDAB CO[C@@H]1CCN(C(=O)N(C)C)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 96217840 OQBJEXSEAZJBNM-RRFJBIMHSA-N 338.477 1.654 0 40 EDAB Cn1cccc1C(=O)NCC[C@@H]1CN(C2CCC2)Cc2ccnn21 248144340 RHYDRTLFRQTEDH-OAHLLOKOSA-N 327.432 1.951 0 40 EDAB C[C@H](Sc1ncco1)C(=O)N1CCN(C(=O)c2ccco2)CC1 252487827 IBYFBJCAIXLBFV-NSHDSACASA-N 335.385 1.733 0 40 EDAB CCN1CCC[C@H](CNS(=O)(=O)c2ccc(C)c(C(N)=O)c2)C1 65499432 OUEFBXFTWWIPHJ-CYBMUJFWSA-N 339.461 1.104 0 40 EDAB Cc1nc(C)c(C(=O)NCCNC(=O)Cc2ccc(F)cc2)s1 65435239 LITVYCBMCSDDQO-UHFFFAOYSA-N 335.404 1.988 0 40 EDAB CN(CCO)C[C@H]1COCCN1C(=O)Cc1cccc2ccccc12 85470035 CWSWNQDLIBUWLK-SFHVURJKSA-N 342.439 1.534 0 40 EDAB c1cnc2c(CN3CC4(CO[C@H](Cc5cncnc5)C4)C3)cnn2c1 257200170 ACGOQEDEPYHPGR-MRXNPFEDSA-N 336.399 1.353 0 40 EDAB Cc1ncccc1O[C@@H]1CC[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]21 257263438 LPXXTZQVRCGAOM-SOLBZPMBSA-N 345.443 1.338 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@@H](O)c1ccc2c(ccn2C)c1 252498519 RDWKCZCVZDGQNH-OAHLLOKOSA-N 328.372 1.384 0 40 EDAB CN1C(=O)C2(CCN(Cc3ncc[nH]3)CC2)C[C@@H]1Cc1cccnc1 257317234 VIXFMQARLVZIHS-INIZCTEOSA-N 339.443 1.860 0 40 EDAB CN(C[C@@]1(O)CCN(c2ccccn2)C1)C(=O)CCCn1cccn1 257290599 QDNSRMJWYDQVKO-SFHVURJKSA-N 343.431 1.158 0 40 EDAB CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1cccc(F)c1 257284922 PEWIDBIYOGPSQJ-SFHVURJKSA-N 342.374 1.835 0 40 EDAB Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[C@@H](O)[C@@H]3O)no2)cc1 257300201 RTIPTUZXDKEAFC-BFYDXBDKSA-N 330.384 1.996 0 40 EDAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)N2CCCC[C@@H]2C)n1 65576008 JVJSFLGTYPQXBX-ZDUSSCGKSA-N 340.449 1.380 0 40 EDAB CNc1nccnc1[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CCO1 257285386 PGVRCAWKNWJAPV-AWEZNQCLSA-N 330.363 1.800 0 40 EDAB O[C@@H]1[C@H]2[C@@H]3C[C@H]1N(c1ccc(C(F)(F)F)cn1)[C@H]1[C@H](O)[C@H]3C[C@H]21 606445129 SGPWDFMZSANYFV-JMWLUMNASA-N 326.318 1.665 0 40 EDAB CC(C)(C)c1nc(Cn2cnc3c2CCNC32CCOCC2)no1 1615588103 CFOSXVDBKIZRPO-UHFFFAOYSA-N 331.420 1.763 0 40 EDAB CCn1nncc1CNC(=O)c1cccc(Br)c1OC 1615615891 YVOFRKWZKZAFGF-UHFFFAOYSA-N 339.193 1.999 0 40 EDAB Cc1cccc(S(=O)(=O)NCCc2cn([C@H]3CCOC3)nn2)c1 1615615521 YAQMIQWNCQFHSL-AWEZNQCLSA-N 336.417 1.069 0 40 EDAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1c[nH]nc1-c1ccccc1 585291503 PKYRRVKZQZTLTN-NUJGCVRESA-N 331.416 1.937 0 40 EDAB O=S1(=O)CC[C@@H](COc2ncccn2)C12CN(CC1CCC1)C2 585104275 XUHUEXJLQIQMFM-AWEZNQCLSA-N 337.445 1.145 0 40 EDAB COC[C@@H]1Cc2c(ncn2C)CN1C(=O)c1cccc2c1OCCO2 585094704 IOIXHJCMGYFQCC-LBPRGKRZSA-N 343.383 1.405 0 40 EDAB O=C(Cc1ccccn1)N1CC[C@@](O)(COc2cccc(F)c2)C1 585277122 LOAXHCCDGQXDTH-SFHVURJKSA-N 330.359 1.806 0 40 EDAB C[C@@]1(NC(=O)Cc2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 30998298 NEGYVYNHKBXCMW-CYBMUJFWSA-N 335.347 1.941 0 40 EDAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NC1CC1 71113253 BNVMVTAIFBIZKG-UHFFFAOYSA-N 340.358 1.971 0 40 EDAB COC(=O)N1CCC(CNC(=O)c2cc(OC)cc(OC)c2)CC1 43982375 ZQSBVMHWQBMTCN-UHFFFAOYSA-N 336.388 1.912 0 40 EDAB CCCN1CC[C@H](CNC(=O)N2CCN(Cc3cc(C)no3)CC2)C1 54509866 JRPYGTODYXUOQI-MRXNPFEDSA-N 349.479 1.542 0 40 EDAB Cc1ccc(O[C@H](C)CNC(=O)N2CCS(=O)(=O)C[C@@H]2C)cc1 75307923 BENNZBNFMDDAHO-UONOGXRCSA-N 340.445 1.591 0 40 EDAB Cn1cc([C@H](O)CNC(=O)NCc2ncc(-c3ccccc3)o2)cn1 76085567 CNMOFSRRNVQGSE-CQSZACIVSA-N 341.371 1.608 0 40 EDAB CCOC(=O)[C@H](NC(=O)[C@@H]1CC[C@H](CC)O1)[C@@H](O)c1ccncc1 585129036 VPLOTNLRAIEWHI-XQLPTFJDSA-N 336.388 1.121 0 40 EDAB CCC[C@H](NC(=O)c1cc(Br)cn1C)c1nnn[nH]1 95965246 NWVFYYPFHDJFOQ-QMMMGPOBSA-N 327.186 1.572 0 40 EDAB Cc1nc(N2CCN(c3ncnc(C)c3C)CC2)c2cnn(C)c2n1 881940689 JWIFBRXMMPGNFF-UHFFFAOYSA-N 338.419 1.405 0 40 EDAB Cc1cc(C)c(C)c(S(=O)(=O)NC2CN(c3cnccn3)C2)c1C 1254176084 UCOYOOVFINYDTN-UHFFFAOYSA-N 346.456 1.877 0 40 EDAB COc1ccc2cc(C)c3nn(CN4CCC[C@@H](O)C4)c(=O)n3c2c1 12182986 UPRSKAYAAUQMHH-CQSZACIVSA-N 342.399 1.380 0 40 EDAB O=C(C1CCNCC1)N1Cc2ccccc2OC2(CCOCC2)C1 12337500 UNTQPGQMZKSDGE-UHFFFAOYSA-N 330.428 1.956 0 40 EDAB O=C(N1CCCC1)[C@@]1(Cc2cc([C@H]3CCOC3)no2)CCCNC1 12366012 NGSVPKRRRKJYQU-KBXCAEBGSA-N 333.432 1.713 0 40 EDAB CCn1ccnc1N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 13693649 JZIJTZPMQAQKCJ-UHFFFAOYSA-N 344.415 1.883 0 40 EDAB NCCn1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)c2cccnc21 19346674 NWXYZEASZHBOLZ-CQSZACIVSA-N 327.432 1.896 0 40 EDAB O=C1N[C@@]2(CCc3ccccc31)CCN(C(=O)CCn1cccn1)C2 19375201 DRBIUUPWKOVKGM-IBGZPJMESA-N 338.411 1.621 0 40 EDAB CN1C[C@H](c2cc(=O)[nH]c(NCc3ccccc3Cl)n2)CC1=O 19587520 WCFHSJHQVQBCBG-LLVKDONJSA-N 332.791 1.981 0 40 EDAB COCCN1CCN(c2nc(O)cc(Cc3ccccc3F)n2)CC1 19593436 CZVZMIWIIPHPLY-UHFFFAOYSA-N 346.406 1.681 0 40 EDAB Cn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(cnc21)C(=O)CCC3 19962366 DDKZFHMBBIYUNM-UHFFFAOYSA-N 349.390 1.857 0 40 EDAB CN(C)c1cncc(O[C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)n1 225402714 BXIWPGCBRAVRDT-LBPRGKRZSA-N 343.387 1.702 0 40 EDAB CC(C)(C)n1ncc2c(=O)n(CC(=O)NC3CCCCC3)cnc21 4034495 OKARGCUWBHEYBM-UHFFFAOYSA-N 331.420 1.797 0 40 EDAB CCCn1c(SCCN2C(=O)c3ccccc3C2=O)n[nH]c1=O 4198225 PITGZKUUTWDAJS-UHFFFAOYSA-N 332.385 1.370 0 40 EDAB Cc1noc(C[C@H]2CO[C@@H]3CN(C(=O)c4ncnc(C)c4C)C[C@@H]32)n1 1565542214 ISMMVXKDOWUZEG-BFHYXJOUSA-N 343.387 1.115 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@@]2(C[C@H](Nc3ccccn3)CCO2)C1 1565553149 LZRQIJONWWPDJP-DHBZOUTCSA-N 343.427 1.536 0 40 EDAB Cc1csc2nc(O)c(C(=O)NCc3ccc(F)cc3)c(=O)n12 10166709 SQUKUVRSCTWCRS-UHFFFAOYSA-N 333.344 1.839 0 40 EDAB CN(C)c1ccc(NC(=O)C(=O)NCC[C@H](O)c2cccs2)cc1 77115468 UYXFXYZLABMVHV-AWEZNQCLSA-N 347.440 1.993 0 40 EDAB Cc1cccc(OCCCNC(=O)[C@H]2CCCN2S(C)(=O)=O)c1 30572634 AVVKOYASXVHLAI-OAHLLOKOSA-N 340.445 1.304 0 40 EDAB CC(=O)NCCNC(=O)[C@H](C)Oc1ccc(Br)cc1 40457468 NQUJQAUFKTVBIL-VIFPVBQESA-N 329.194 1.469 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cnc3ccccc3c2)C1 40496325 FCRTURZRHGOANI-CYBMUJFWSA-N 333.413 1.845 0 40 EDAB COc1ccc(OCC(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 40553680 LSSSRTUEJWIAPE-AWEZNQCLSA-N 342.399 1.649 0 40 EDAB Cc1nc(CCNC(=O)c2cccc(N3CCNC3=O)c2)cs1 40527879 UUIXEPKFNOEKRT-UHFFFAOYSA-N 330.413 1.954 0 40 EDAB COc1ccccc1OCC(=O)N[C@H]1CCCN(c2ncccn2)C1 40553722 VPRJQAUXOPIUFN-AWEZNQCLSA-N 342.399 1.649 0 40 EDAB CCN(C(=O)c1ccc(-c2ccccc2)n1C)[C@H]1CC(=O)NC1=O 101276537 UWAWTHNYEDNFHL-HNNXBMFYSA-N 325.368 1.569 0 40 EDAB COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCNC1 52093551 YZCXFMKECYIXIK-VIFPVBQESA-N 335.223 1.098 0 40 EDAB COc1ccc(CNC(=O)CCNC(=O)c2cccc(C)c2)cn1 32873799 JPCIZKADTJTZQS-UHFFFAOYSA-N 327.384 1.835 0 40 EDAB O=C(O)c1cccc(S(=O)(=O)NCCCN2CCCCCC2)c1 32814515 QPQDPDZDZYRHIE-UHFFFAOYSA-N 340.445 1.929 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 32904705 YXFGQWPRQFURIP-UHFFFAOYSA-N 348.380 1.634 0 40 EDAB COc1ccc(NC(=O)[C@@H]2CCCN2CC(=O)NCC2CC2)cc1 52715130 BEXLDGKTZFFPHX-INIZCTEOSA-N 331.416 1.624 0 40 EDAB Cc1ccc2c(c1)N(CCC(=O)N1CCC[C@@H]1C(=O)O)C(=O)CO2 33520804 XLNACHHPZKJWDL-GFCCVEGCSA-N 332.356 1.186 0 40 EDAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NCCCn2cncn2)CC1=O 41862581 SDABOTUTQBDRDF-GDBMZVCRSA-N 341.415 1.394 0 40 EDAB CCCCn1nc(C(=O)N2CCC(c3nc(C)no3)CC2)ccc1=O 54704668 VSTWIAKRWSQZRH-UHFFFAOYSA-N 345.403 1.755 0 40 EDAB COc1cc(/C=C/C(=O)N(C)Cc2cnn(C)c2)cc2c1OCCO2 24475192 XKMJMGVJSOCRPU-SNAWJCMRSA-N 343.383 1.872 0 40 EDAB COc1ccc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)cn1 12548256 CEJKIKMBNCFLMO-ZDUSSCGKSA-N 344.293 1.602 0 40 EDAB COc1ccc(CNC(=O)CCn2nc3ccccn3c2=O)cc1F 78611071 PLNHYLLJOGMUBG-UHFFFAOYSA-N 344.346 1.350 0 40 EDAB CCOC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 78821990 HWBAMNYRMBXLKR-UHFFFAOYSA-N 331.416 1.740 0 40 EDAB COc1cccc([C@@H](O)CN2CCO[C@H](CNc3cccnn3)C2)c1 78893566 YKJBBIJJZGZNIW-SJORKVTESA-N 344.415 1.332 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)CCc3ccncc3)C2)n[nH]1 78901068 GGUOBELKMWGSSM-CYBMUJFWSA-N 327.388 1.242 0 40 EDAB CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)C2CC2)CC1 78944756 PZDGQUGRZORUNX-KRWDZBQOSA-N 327.428 1.518 0 40 EDAB COC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1ccc(OC)c(OC)c1 1747871 AFQQVRYXOYXHAF-HUUCEWRRSA-N 340.328 1.413 0 40 EDAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@H]1Cn1cccn1 106778179 HYSUTCMHVLXDMJ-CVEARBPZSA-N 340.431 1.581 0 40 EDAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 34859994 NBCMDVPCCNWLQA-UHFFFAOYSA-N 341.415 1.423 0 40 EDAB O=C1C[C@@H](n2nnn(-c3ccccc3Cl)c2=S)[C@@H]2CO[C@H]1O2 4452196 QOANVVRGSJBXIG-USWWRNFRSA-N 338.776 1.707 0 40 EDAB CN(C)[C@H](CNC(=O)CCS(=O)(=O)C1CCCC1)c1ccco1 48094727 KFJGBMQOBHNCIE-CQSZACIVSA-N 342.461 1.746 0 40 EDAB CC(C)NC(=O)Cn1nc(-c2ccc3c(c2)OCCCO3)ccc1=O 58008539 ZIPDGFIZOOGHER-UHFFFAOYSA-N 343.383 1.596 0 40 EDAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC[C@@H]1CCS(=O)(=O)C1 44721137 HWFWWTBRHRXYKD-LFAOLKIESA-N 345.424 1.436 0 40 EDAB CC(C)N(CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 58194200 CMRLFAPMWFHFMY-OAHLLOKOSA-N 342.436 1.686 0 40 EDAB Cc1cc2n(n1)C[C@@H](CNCc1ccc(N3CCOCC3)nc1)CN2 58298895 SKVPSPMTJYKRJS-INIZCTEOSA-N 342.447 1.255 0 40 EDAB CCN1CCC[C@H](CNC(=O)CNC(=O)/C=C/c2ccccc2)C1 58329836 XDIGINKUPQIZCI-SXSDINLZSA-N 329.444 1.664 0 40 EDAB CC(C)C[C@@H]1NC(=O)N(C[C@H](O)CN(C)Cc2ccccc2)C1=O 58402307 FZTMKPPQMRXDLX-CVEARBPZSA-N 333.432 1.446 0 40 EDAB O=c1[nH]c2ccccc2cc1CN(CCC(F)(F)F)C[C@H](O)CO 75109339 NVYRZYZNJXATCQ-ZDUSSCGKSA-N 344.333 1.636 0 40 EDAB Cc1ccc(C)c(OCC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1 75105394 GSNZQBDXBNBJRS-UHFFFAOYSA-N 342.399 1.291 0 40 EDAB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O 100068176 CJDRUOGAGYHKKD-GIHZXJOWSA-N 326.440 1.555 0 40 EDAB biogenic,in-vitro O=C(NC1CCN(c2ncccn2)CC1)N(C[C@@H]1CCOC1)C1CC1 45711175 QUHOXWKMQIMOQW-AWEZNQCLSA-N 345.447 1.656 0 40 EDAB COc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 12680832 XFCFJUORSSJKNF-UHFFFAOYSA-N 339.351 1.999 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCCCC3)nc2)C1 45877848 FRQPBRNMAXBKFK-AWEZNQCLSA-N 331.420 1.089 0 40 EDAB CCCc1noc(CS(=O)(=O)CC(=O)Nc2cccc(F)c2)n1 46136265 CYFDDJPNPKCVHK-UHFFFAOYSA-N 341.364 1.715 0 40 EDAB O=C(C[C@@H](O)c1cccc(F)c1)N1CCC[C@H]1CN1CCOCC1 89774710 AQERTTLIEAWVGY-DLBZAZTESA-N 336.407 1.572 0 40 EDAB Cc1coc2cc3oc(=O)c(CC(=O)Nc4nnn[nH]4)c(C)c3cc12 12391737 DFPPLOPAVDGSAX-UHFFFAOYSA-N 339.311 1.850 0 40 EDAB C[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccco1)C(=O)O 2949610 OPKYTNQEKONRQZ-COVOJHCQSA-N 328.324 1.640 0 40 EDAB O=C1OCC[C@@H]1NC(=S)NC1CCN(Cc2ccccc2)CC1 63143429 HCENPQAKBNZCED-HNNXBMFYSA-N 333.457 1.431 0 40 EDAB O=C(O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)C1 13260569 LFFHOQVMXCECRV-CVEARBPZSA-N 344.411 1.401 0 40 EDAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3nnc(C)s3)n2)c1 9206075 MVGJFYLSKMUBMA-UHFFFAOYSA-N 327.369 1.953 0 40 EDAB CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1C[n+]1ccccc1 13521998 DRBXQLUWOWMBEK-UHFFFAOYSA-O 332.380 1.345 0 40 EDAB NC(=O)[C@H](NC(=O)COCCOc1ccccc1)c1ccccc1 49625085 ZIZCQGLMNTXTEG-QGZVFWFLSA-N 328.368 1.425 0 40 EDAB CCN1CCN([C@H](C)CNc2ccc(-n3ccc(C)n3)nn2)CC1 89977300 ZFTASYOUBYWKOT-OAHLLOKOSA-N 329.452 1.409 0 40 EDAB Cc1cc(C)c(CNC(=O)C2CCN(c3cnccn3)CC2)c(=O)[nH]1 65488627 HJBKBVDQVDPMSF-UHFFFAOYSA-N 341.415 1.315 0 40 EDAB CN1CCCN(C(=O)NCc2ccc(N3CCCCC3)nc2)CC1 65439927 WDTVIGFLMQJKKB-UHFFFAOYSA-N 331.464 1.919 0 40 EDAB Cc1cc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)no1 5353263 YJZAIBUZVVLJBY-UHFFFAOYSA-N 343.748 1.882 0 40 EDAB C[C@@H]1CCCCN1C(=O)CCNC(=O)C(=O)Nc1cccc(F)c1 65620636 RKCQPMQHMONJJE-GFCCVEGCSA-N 335.379 1.672 0 40 EDAB COc1ccc(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)nn1 96230738 HXOWOIIPQAZWIW-CQSZACIVSA-N 327.388 1.413 0 40 EDAB CC(=O)Nc1ccc(CC(=O)N(C)CC(=O)NCc2ccco2)cc1 14122071 GLYLVHUCLPLTEJ-UHFFFAOYSA-N 343.383 1.555 0 40 EDAB O=C1CCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CCN1 65901873 WFOMZPTXHJAZBU-UHFFFAOYSA-N 336.819 1.737 0 40 EDAB COC(=O)c1cc(-c2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C 6549846 LTRUAWKAJIAXGB-UHFFFAOYSA-N 343.314 1.225 0 40 EDAB CN(C)CC(=O)Nc1cccc(CNC(=O)N(C)C[C@@H]2CCCO2)c1 71796073 MSPPNWSNUDIRJB-INIZCTEOSA-N 348.447 1.507 0 40 EDAB CCCSc1ncc(Cl)c(C(=O)N[C@H]2CCS(=O)(=O)C2)n1 6810514 LOCPUJLGGTYFGB-QMMMGPOBSA-N 349.865 1.549 0 40 EDAB CCCCCS(=O)(=O)N1CCN(c2ncc(C)c(C)n2)CC1 96486659 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EDAB O=C(NCCc1ccc(F)cc1F)NC[C@@H]1CC(=O)N(C2CC2)C1 96500343 KVWJYLZPXFKHTQ-NSHDSACASA-N 337.370 1.817 0 40 EDAB CC(=O)Nc1nc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)cs1 69349995 PCUFRQYQKSSJST-HNNXBMFYSA-N 349.460 1.816 0 40 EDAB Cc1cc(C)n(C[C@@H]2CN(Cc3nnsc3Cl)CCO2)n1 69349725 WCQGBUNOOSDBOG-NSHDSACASA-N 327.841 1.906 0 40 EDAB O=C(CS(=O)(=O)[C@@H]1CCCc2ccccc21)NC[C@@H]1CCCO1 71972200 UKXHADPXUWPTAN-GOEBONIOSA-N 337.441 1.774 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)n1 69560094 JQYIUYSPPBWXRN-UHFFFAOYSA-N 343.387 1.703 0 40 EDAB CCN1C[C@H](C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)CC1=O 69560419 HANTWJOUCMUAEK-LSDHHAIUSA-N 345.443 1.506 0 40 EDAB c1ccc(-c2noc(CN3CCC[C@H](Cn4cncn4)C3)n2)nc1 69622630 ZXZVPSAMCYSWFE-ZDUSSCGKSA-N 325.376 1.635 0 40 EDAB O[C@@H](COc1ccccc1)CN1CCN(C[C@@H]2CCCCO2)CC1 69771480 KBKXRSDTTCMYTH-MJGOQNOKSA-N 334.460 1.613 0 40 EDAB CCCOc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1OC 69773906 DHCIXZLTVFSDRX-CQSZACIVSA-N 336.432 1.623 0 40 EDAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 69877830 IRDHVTSPERYJQC-HZPDHXFCSA-N 334.464 1.891 0 40 EDAB CN(C)C[C@H]1CN(CCCS(=O)(=O)c2ccccc2)CCO1 69818925 DZNNWNGJVXXERS-HNNXBMFYSA-N 326.462 1.113 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)n1 69816860 VEXUDEJIHCBQBL-AWEZNQCLSA-N 332.408 1.542 0 40 EDAB O=C(Cn1cnnn1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 18120574 OGUZVQBKICRJEV-UHFFFAOYSA-N 340.309 1.931 0 40 EDAB Cn1cccc1C(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 8760766 NZNHFEZOURZSTM-UHFFFAOYSA-N 345.374 1.670 0 40 EDAB CCOc1ccc(-c2noc(Cn3cc(Cl)c(=O)[nH]c3=O)n2)cc1 85253705 AUVDMOPUKXDXKE-UHFFFAOYSA-N 348.746 1.687 0 40 EDAB C[C@H](NC[C@H]1CCO[C@@H]1c1cnn(C)c1)C(=O)NCc1cccs1 84001376 VLPDYIKQSSRSHC-ZENOOKHLSA-N 348.472 1.854 0 40 EDAB COC(=O)c1ccccc1NC(=O)CSc1nnnn1C(C)(C)C 8980537 QKORVKIXJRWFGZ-UHFFFAOYSA-N 349.416 1.946 0 40 EDAB Cc1ccc(N2CC[C@H](C(=O)N3CCn4c(C)nnc4C3)C2=O)cc1 71185922 LKSTYUBPXKBLSY-OAHLLOKOSA-N 339.399 1.290 0 40 EDAB COc1cc(Br)ccc1CN(C)CCS(C)(=O)=O 97081528 VIKDTFXNIQVIPH-UHFFFAOYSA-N 336.251 1.934 0 40 EDAB NC(=O)[C@H]1CCN(C(=O)CSc2cccc(Br)c2)C1 95980803 UMZMDFLLQPPBQT-VIFPVBQESA-N 343.246 1.875 0 40 EDAB Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H](C)N1CCN(C)CC1 95389694 GVHMVGZOCJLBDE-OAHLLOKOSA-N 327.432 1.755 0 40 EDAB O=C(N[C@H](Cc1ccccc1)C(=O)O)[C@@H]1CC(=O)N(CC2CC2)C1 95350082 QMAVCJCHQYPOHB-HUUCEWRRSA-N 330.384 1.057 0 40 EDAB CCc1nn(C)c(CC)c1CNC(=O)N[C@@H]1CCc2nc(C)nn2C1 95437819 LIQDQFTUXIVAPJ-GFCCVEGCSA-N 345.451 1.259 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC2=CCCC2)CC1 95435280 GISLEXRNOQGVOI-AWEZNQCLSA-N 334.464 1.481 0 40 EDAB CCc1cc(=O)[nH]c(CN2CCN(C(=O)c3ccc(C)o3)CC2)n1 95412413 ONDYIULZNXTHQX-UHFFFAOYSA-N 330.388 1.192 0 40 EDAB O=C(CCn1cc(Br)cn1)NCCCn1ccnc1 27968839 YFVJXFNGTMXQET-UHFFFAOYSA-N 326.198 1.439 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCc1ccc(-n2ccnc2)cc1 66871828 GICLNWYHBWNKID-UHFFFAOYSA-N 332.385 1.956 0 40 EDAB C[C@@]1(c2[nH]ncc2C(N)=O)CCCN(CCOc2ccccc2)C1 72388830 BYQSSGQBIRFASL-GOSISDBHSA-N 328.416 1.941 0 40 EDAB C[C@@H](NC(=O)C(=O)NC[C@@](C)(O)c1ccccc1)c1ccccc1 70639749 KGRZVNYLOAXQJH-AUUYWEPGSA-N 326.396 1.888 0 40 EDAB CCn1cc(NC(=O)C(=O)N2CC[C@H](c3ccccc3)C2)ccc1=O 77742274 BGBHYZDGSUKAJB-HNNXBMFYSA-N 339.395 1.823 0 40 EDAB Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1N1CCCC1=O 20489474 NNWQWEVRFYCSTR-UHFFFAOYSA-N 337.445 1.058 0 40 EDAB O=C(CN1CCN(Cc2nc(-c3ccsc3)no2)CC1)NC1CC1 20952698 SMFDLGFUQJXSKU-UHFFFAOYSA-N 347.444 1.194 0 40 EDAB O=C(Nc1nc(C2CC2)ns1)N1CC[C@@H](C(=O)N2CCCC2)C1 1552223574 SATMFZIFBRLYFO-LLVKDONJSA-N 335.433 1.892 0 40 EDAB Cc1ccccc1[C@@H](O)CNC(=O)NCCc1cccc(C(N)=O)c1 79028320 YGZYAQWOAVUQPE-KRWDZBQOSA-N 341.411 1.669 0 40 EDAB CCOC(=O)Nc1cc(S(=O)(=O)N[C@H](C)COC)ccc1OC 408586725 QFPZVARBXKYZFL-SNVBAGLBSA-N 346.405 1.577 0 40 EDAB O=C(NCc1cccnc1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 70815872 VSOYBASVTVAPRI-UHFFFAOYSA-N 339.351 1.199 0 40 EDAB CC1(C)OC[C@H]2C[C@@]21NC(=O)c1ccc(-n2cnnn2)cc1Cl 529785413 MYBXBRXAQTYZJE-RFAUZJTJSA-N 333.779 1.613 0 40 EDAB COc1cc(OC)cc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 78986887 ODZOZCZHPSQDGX-LBPRGKRZSA-N 346.305 1.597 0 40 EDAB C[C@@H](NC(=O)CC[C@H]1NC(=O)NC1=O)C12CC3CC(CC(C3)C1)C2 33028287 LZOZRMDSRQMOLD-OGGXOPAASA-N 333.432 1.696 0 40 EDAB COCCNC(=O)CC1(N2Cc3ccccc3C2=O)CCOCC1 1548348845 SRPZKOIPMZDXOL-UHFFFAOYSA-N 332.400 1.344 0 40 EDAB O=C(NCCc1cscn1)[C@@H]1CSCN1C(=O)C1CCCC1 78913021 YGWSIASMPJHSCL-ZDUSSCGKSA-N 339.486 1.894 0 40 EDAB O=C(c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)N1CCCC1 75163730 JDXSVZSWRBHUTD-UHFFFAOYSA-N 327.266 1.797 0 40 EDAB COCCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2F)C1 78602813 HMSCGOQBKAJIGM-GFCCVEGCSA-N 341.358 1.130 0 40 EDAB CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 72378763 DCRUNJODKIXUPU-ZDUSSCGKSA-N 335.433 1.253 0 40 EDAB Cc1cc(C)nc(N2CCC(c3ncc(C(N)=O)c(C)n3)CC2)n1 72352010 JAVOASVMFJLEQQ-UHFFFAOYSA-N 326.404 1.675 0 40 EDAB Cc1nc(CCC(=O)NCc2ccnn2C)cc(C2CCNCC2)n1 72366877 YHQMOXFSVMZXIZ-UHFFFAOYSA-N 342.447 1.235 0 40 EDAB Cc1cc(NC(=O)c2cc(NC(=O)c3ccccc3)n(C)n2)n(C)n1 46088572 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336.411 1.746 0 40 EDAB Cc1nocc1C(=O)N1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 96224653 ZBVLSPOSNJXLKO-QGZVFWFLSA-N 343.387 1.376 0 40 EDAB Cc1ccc(N2CC[C@H]3OCCC[C@]3(COCCN(C)C)C2)nn1 96039526 OMHCDEXDTBZELL-SJLPKXTDSA-N 334.464 1.739 0 40 EDAB CNS(=O)(=O)CCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 96414978 JHOABPSFBCOMEE-AWEZNQCLSA-N 342.436 1.660 0 40 EDAB CC(C)Cn1cc(N2C[C@@H](C(=O)N3CCSCC3)CC2=O)cn1 96192209 WOORUEZZVBJFIO-ZDUSSCGKSA-N 336.461 1.467 0 40 EDAB C[C@@H]1OCCN(S(=O)(=O)c2ccc(C(C)(C)C(=O)O)cc2)[C@H]1C 578643784 BYECEWLBHUENIK-RYUDHWBXSA-N 341.429 1.847 0 40 EDAB O=C1C[C@@H](c2cccnc2)C2(CCN(S(=O)(=O)C3CC3)CC2)N1 96199745 ORVPXCMHPFCVFW-AWEZNQCLSA-N 335.429 1.012 0 40 EDAB Cn1cc(N2CC[C@]3(CCN(C(=O)c4cccs4)C3)C2=O)cn1 96050547 AJNSIXGUTQIGQG-INIZCTEOSA-N 330.413 1.751 0 40 EDAB Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3nccn3C)C[C@H]21 96081731 OIAIASVFDNMGKT-CVEARBPZSA-N 331.420 1.110 0 40 EDAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)n1nnc2ccccc2c1=O 95473407 PDQSEJXXAHPRDY-FZMZJTMJSA-N 346.387 1.056 0 40 EDAB CC(=O)NCC(=O)N1CC[C@H](OCC2CC2)[C@@H]1Cc1ccccc1 96200430 VDUDNZODTVXESW-ROUUACIJSA-N 330.428 1.761 0 40 EDAB CCOC1(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)CCCC1 583618770 FXBIMWPHQOQLCI-MRXNPFEDSA-N 336.436 1.628 0 40 EDAB Cc1cc(-n2c(C)cc(C(=O)NC[C@@]3(O)CCSC3)c2C)no1 96446902 LLFOPPXGZAPVFX-INIZCTEOSA-N 335.429 1.988 0 40 EDAB CN(C)c1ncnc2c1CN(Cc1nc(-c3ccco3)no1)CC2 97202394 BWBPWPDUHFDIDG-UHFFFAOYSA-N 326.360 1.744 0 40 EDAB Cc1occc1C(=O)N1CC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 96219360 XWGCICAIRQIGQT-SUMWQHHRSA-N 328.372 1.864 0 40 EDAB Cn1cccc1C(=O)N1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1 96215577 ONOAJALFOCMRLJ-ACJLOTCBSA-N 342.399 1.617 0 40 EDAB CN(CCC(=O)Nc1cccc(Br)c1)S(C)(=O)=O 95438726 UQJOTBZPCLQVHK-UHFFFAOYSA-N 335.223 1.669 0 40 EDAB CN1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)CC1 96182915 MIMWWWAKJPJHJK-UHFFFAOYSA-N 337.445 1.243 0 40 EDAB O=C(c1ccnnc1)N1CCC2(CC1)C[C@H](Oc1cccnc1)CO2 96106721 JAJDFEMXROAGRG-INIZCTEOSA-N 340.383 1.714 0 40 EDAB CC(C)[C@H](Cn1nccn1)NS(=O)(=O)c1ccc2c(c1)CCO2 238844951 ICXXWFOKOKYGPY-AWEZNQCLSA-N 336.417 1.216 0 40 EDAB O=C(c1ccncc1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 96108959 IUDFWVBMUHGEMN-IEBWSBKVSA-N 339.395 1.782 0 40 EDAB CC(C)c1ccc(N2CC[C@@H](C(=O)NCCc3ncon3)C2=O)cc1 96423751 GCIVBFBLSYZUCF-HNNXBMFYSA-N 342.399 1.905 0 40 EDAB O=C([C@@H]1CCOC1)N1CCN(CCn2cccn2)c2ncccc2C1 96198994 JHIAIJBAAVVREO-MRXNPFEDSA-N 341.415 1.163 0 40 EDAB O=C(Cc1cccnc1)N1CCC2(CCN([C@@H]3CCOC3)CC2)C1 96157522 MOZZMIGFVIOPCM-QGZVFWFLSA-N 329.444 1.728 0 40 EDAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nnc(C2CCC2)o1 96410305 RWAOJLOAVBUTJQ-JTQLQIEISA-N 348.428 1.936 0 40 EDAB Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccnn4C)[C@H]3C2)o1 248048808 QISTXZQWRYZTQT-FRFSOERESA-N 344.415 1.198 0 40 EDAB CCCN(CCC)S(=O)(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 585114683 RFGIMFVIPXSPIN-CQSZACIVSA-N 345.509 1.590 0 40 EDAB CCOCCC(=O)NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 585136099 PYJPMGSUDISUFI-UHFFFAOYSA-N 340.401 1.148 0 40 EDAB Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 585138223 WRRKAJJLIQFYEC-NXEZZACHSA-N 331.365 1.630 0 40 EDAB O=C(NCc1cccnc1)[C@H]1CN(C2CCOCC2)Cc2ccnn21 247505499 RGGKCTSLUNYFFU-QGZVFWFLSA-N 341.415 1.130 0 40 EDAB Cn1ccnc1CN1CCC[C@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257256535 KLWWBHVXPOCXLM-GFCCVEGCSA-N 337.449 1.001 0 40 EDAB CC(=O)Nc1ccc(S(=O)(=O)[C@H](C)CN2CCOCC2)cc1 255189924 TTXQMYCJGJALKY-GFCCVEGCSA-N 326.418 1.139 0 40 EDAB Cc1ccsc1C(=O)N(C)C[C@@]1(O)CCN(c2ncccn2)C1 257315621 VCDVVUKTWXHNFR-INIZCTEOSA-N 332.429 1.560 0 40 EDAB Cc1cnc(C(=O)N2CC3(C[C@H](Oc4cnccn4)CCO3)C2)cn1 253600873 BTHNHYGZWBKXSS-CYBMUJFWSA-N 341.371 1.028 0 40 EDAB CC(C)n1nccc1CN1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 257301638 RZFDIHKZXKZSRN-GFCCVEGCSA-N 337.449 1.580 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ncoc3C)CC2)C[C@H](O)C1(C)C 257258583 KUQXXUYNRSQDMO-AWEZNQCLSA-N 349.431 1.597 0 40 EDAB CCn1ccc(C(=O)N2CCC[C@@](C)(c3[nH]ncc3C(=O)NC)C2)n1 257276429 NTSPMDMEVOLBIG-QGZVFWFLSA-N 344.419 1.180 0 40 EDAB CCc1nnsc1C(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1 257204903 AWUNXUQCTONNFA-INIZCTEOSA-N 347.444 1.257 0 40 EDAB COCc1c(C(=O)N2CC[C@@H]3[C@@H](CCCCN3C(C)=O)C2)noc1C 257242398 ICHRKAUMDAXCOA-GOEBONIOSA-N 349.431 1.993 0 40 EDAB O=C1CO[C@H]2CN(Cc3ccccc3F)C[C@@H]2N1C1CCOCC1 257246117 ISOAKWNIYJJNCL-IRXDYDNUSA-N 334.391 1.416 0 40 EDAB O=C(O)C1(CNS(=O)(=O)c2c(F)cccc2F)CCOCC1 274937142 FKQBZICNTMGYLH-UHFFFAOYSA-N 335.328 1.125 0 40 EDAB Cc1cc(C)n(CC2CCN(CC(=O)Nc3cccnn3)CC2)n1 1615002578 KDRRODWKDRPWDY-UHFFFAOYSA-N 328.420 1.641 0 40 EDAB CCn1ncc(Br)c1C(=O)N[C@@H]1CCC(=O)N(C)C1 1615548755 FDEDWSBFLLLNRL-MRVPVSSYSA-N 329.198 1.016 0 40 EDAB O=C(C(F)F)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 1616042851 GDNUVGXECNYQOF-UHFFFAOYSA-N 328.269 1.754 0 40 EDAB C[C@H](NS(C)(=O)=O)C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 571832354 BLBWOUHQRFINMT-GCVQQVDUSA-N 342.383 1.696 0 40 EDAB CCOC[C@H]1CCN(C)C2(C1)CN(S(=O)(=O)c1ccccc1)C2 585103139 ROUBLSDUFFROAY-HNNXBMFYSA-N 338.473 1.808 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccccn2)C1 585095807 MIYUOLRIYICSJU-MRXNPFEDSA-N 341.415 1.524 0 40 EDAB CO[C@@]1(COc2ccccc2)COCCN(C(=O)C2CCNCC2)C1 585269380 QYVHMJQDCOVRJL-LJQANCHMSA-N 348.443 1.309 0 40 EDAB Cc1cccc(C[C@]2(CO)CN(C(=O)c3cnccn3)CCO2)c1 585275814 JZDKJWBGJGETDB-GOSISDBHSA-N 327.384 1.231 0 40 EDAB Cc1nn(CC(C)C)c(N(C)C)c1CN[C@@H]1CCS(=O)(=O)C1 69570263 OYZBVLZNRQWVPF-CYBMUJFWSA-N 328.482 1.190 0 40 EDAB O=S(=O)(Cc1ccno1)N1CCc2c(cnn2-c2ccccc2)C1 1561126627 DKIDKYZJQAOFTD-UHFFFAOYSA-N 344.396 1.748 0 40 EDAB CCc1cnc(N2CCCN(c3ccc4nnc(C)n4n3)CC2)nc1 1775986084 TWYXJFICYFICOE-UHFFFAOYSA-N 338.419 1.502 0 40 EDAB CCOc1ccc(CCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 55138719 BHIJSTSTTSURLU-UHFFFAOYSA-N 340.445 1.122 0 40 EDAB CCCCc1nc(CSc2nnc(C3CC3)n2CC(N)=O)no1 52891884 FAZISUPHXIOOED-UHFFFAOYSA-N 336.421 1.659 0 40 EDAB CCN1CCO[C@@H](C(=O)N(C)CCCc2nc3ccccc3[nH]2)C1 74349518 ALBNOEJBLCGMDI-MRXNPFEDSA-N 330.432 1.675 0 40 EDAB CCN(Cc1cccc(F)c1)S(=O)(=O)N1CCC(C(N)=O)CC1 84777528 KKGMSJYCBHBUHO-UHFFFAOYSA-N 343.424 1.090 0 40 EDAB O=C(c1ccc(Cn2cccn2)o1)N1CCC[C@@H]1CN1CCOCC1 80943721 QEBBYZSDYQWMNP-OAHLLOKOSA-N 344.415 1.461 0 40 EDAB CN1CCO[C@@H](CN(C(=O)COC2CCCC2)c2nccs2)C1 95402108 IRLKQVLGKHZGHV-CQSZACIVSA-N 339.461 1.766 0 40 EDAB CCn1c(-c2nnn(C)c2C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 516623581 BPSOJPAOPHBUFP-MFKMUULPSA-N 331.424 1.406 0 40 EDAB CCOc1ccc(S(=O)(=O)Nc2cnc(OC)nc2)cc1F 585433976 QDXQOUUBXACDDO-UHFFFAOYSA-N 327.337 1.824 0 40 EDAB O=c1cccnn1CCNS(=O)(=O)c1ccccc1C(F)(F)F 11856378 VLCLGULMCZDGGT-UHFFFAOYSA-N 347.318 1.241 0 40 EDAB CCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 14400477 ZNBHTMMWKDKBLP-UHFFFAOYSA-N 342.417 1.140 0 40 EDAB O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)NC1CC1 19374587 WXMBSVCEGRBNLT-UHFFFAOYSA-N 330.384 1.349 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N(C)N(C)c3ncccc32)C1 19462481 JUAOWABFCMAHKR-BETUJISGSA-N 331.420 1.809 0 40 EDAB CN(C)C(=O)c1ccc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)nc1 19705595 XXVKCTWENYDMLO-CYBMUJFWSA-N 327.388 1.526 0 40 EDAB CCn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)ccc21 19936740 ZOMRGSRHJQZMPG-UHFFFAOYSA-N 333.369 1.488 0 40 EDAB CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1ccc(F)cc1Cl 643586282 UBBLHODEPDMGPM-CNORCWGRSA-N 343.782 1.319 0 40 EDAB O=C(c1ccccc1F)N1CCN(c2ncc3c(n2)CCOC3)CC1 13266849 CLDBALJDKFBQFY-UHFFFAOYSA-N 342.374 1.651 0 40 EDAB Cc1cc(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)NC2CC2)no1 12982458 DJHVUGCTTOZEGO-KRWDZBQOSA-N 342.399 1.873 0 40 EDAB Cc1cc(=NC(=O)C(=O)NCc2ccc(-c3c(C)noc3C)o2)[nH]o1 1888994962 PSOCFUARRWMXLA-UHFFFAOYSA-N 344.327 1.525 0 40 EDAB CCN(CC)S(=O)(=O)N(C)Cc1cnn(Cc2ccccc2)c1 23404169 GMBGRWVHWDJQAN-UHFFFAOYSA-N 336.461 1.950 0 40 EDAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@H](c2ccccc2)C1 25948691 SSMRTOJQPGGFNG-TZMCWYRMSA-N 328.420 1.654 0 40 EDAB COc1ccc(C(=O)N2CC(Oc3cc(C)n(C)c(=O)c3)C2)cn1 238951996 XDBOASMZWYACNN-UHFFFAOYSA-N 329.356 1.001 0 40 EDAB COC(=O)C[C@@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]2[C@H]3[C@@]1(Br)C41OCCO1 239562907 KVZLCQLDCJROEQ-WBLYRJAISA-N 327.174 1.178 0 40 EDAB Cc1ncc(C(=O)N2CC3(C[C@@H](N4CCCC4)CS3)C2)c(C)n1 2056224008 ABIJUOWZKVTLSK-CQSZACIVSA-N 332.473 1.889 0 40 EDAB CC(C)N(C)CC(=O)N1CCc2ncnc(-c3ccncc3)c2CC1 1565553573 DPAPRIXXSAOEGX-UHFFFAOYSA-N 339.443 1.806 0 40 EDAB Cc1ccccc1NC(=O)CSc1nn2c(=O)c(C)nnc2s1 4338830 NEZCAXMZPBYLSL-UHFFFAOYSA-N 347.425 1.894 0 40 EDAB CCOc1ccc(C(=O)CCN[C@H](Cc2cnc[nH]2)C(=O)O)cc1 6420010 YTKPNVITJRTREB-OAHLLOKOSA-N 331.372 1.667 0 40 EDAB C[C@@H](Oc1ccccc1)C(=O)NCc1nnnn1-c1ccc(F)cc1 16890860 PQKCTHCRAFVGQR-GFCCVEGCSA-N 341.346 1.885 0 40 EDAB CCc1ccc(C(=O)N2CCN(C)C[C@]3(CCCC(=O)N3)C2)cn1 2055806671 RZPIEONAVVEOER-GOSISDBHSA-N 330.432 1.071 0 40 EDAB Cc1cc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)ncn1 2086881875 SEYQJORDNBFRAM-GFCCVEGCSA-N 326.347 1.248 0 40 EDAB Nc1ccccc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 13578923 RWGGFNPBGKKQDB-UHFFFAOYSA-N 337.426 1.647 0 40 EDAB CCc1cc(C(=O)N2CCN(C(=O)Cc3ccc(C)cc3)CC2)[nH]n1 101528034 IKKOOAXHCWJTAV-UHFFFAOYSA-N 340.427 1.808 0 40 EDAB COc1ccc(N2C[C@H](C(=O)Nc3c[nH]ccc3=O)CC2=O)cc1 40088201 HMLAPHVZISQRPV-LLVKDONJSA-N 327.340 1.375 0 40 EDAB Cc1ccccc1CN1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 20045040 ASAYFESPKNLABC-UHFFFAOYSA-N 348.472 1.543 0 40 EDAB COc1ccc(COCC(=O)N2CCN(c3ncccn3)CC2)cc1 40553241 COCYSOQTCUEQDQ-UHFFFAOYSA-N 342.399 1.351 0 40 EDAB C[C@@H](C(=O)NCc1ccc(OC[C@@H]2CCCO2)cc1)n1cncn1 40534228 OSPMULPYTFIOHA-BBRMVZONSA-N 330.388 1.713 0 40 EDAB CN1CCc2c(sc3c2c(NC[C@@H]2CCCO2)nc2nnnn23)C1 20518369 LJLFJKUTMJAAII-VIFPVBQESA-N 345.432 1.313 0 40 EDAB CCS(=O)(=O)CCN(C)C(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 101811967 VZOVKECMIVJIRG-OAGGEKHMSA-N 336.457 1.648 0 40 EDAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCCCn2cncn2)CC1=O 41862582 SDABOTUTQBDRDF-HOCLYGCPSA-N 341.415 1.394 0 40 EDAB CCN(C[C@H]1CCCO1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 53434900 YSOKSERHZRYEDR-OAHLLOKOSA-N 330.384 1.981 0 40 EDAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccnc(-n2cncn2)c1 53759644 MISASEUIVQBRTF-CYBMUJFWSA-N 337.339 1.232 0 40 EDAB Cc1cc(N2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)nc(N)n1 42103154 XDRGDJOUZUZFKP-CHWSQXEVSA-N 333.436 1.219 0 40 EDAB COc1ccccc1CN(C)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 42298035 ABROCJIJDRWYTB-ZFWWWQNUSA-N 333.432 1.239 0 40 EDAB Cn1cc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)ccc1=O 54114985 VMVPZCIHRODJGK-CQSZACIVSA-N 329.331 1.516 0 40 EDAB O=C1C[C@H](c2ccccc2)N(CC(=O)N2CCCCCC2)CCN1 54395391 BRYOUBYWUUGQNU-QGZVFWFLSA-N 329.444 1.952 0 40 EDAB O=C(c1ccncc1)N1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F 302772 BTMFHFLEQNDJTE-CQSZACIVSA-N 336.273 1.978 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)c2ccc(OCC)cc2)n1 568929 TZFHHDJXMQEFDG-UHFFFAOYSA-N 334.405 1.609 0 40 EDAB CCOC(=O)[C@H]1CSCCN1Cn1nc2ccccn2c1=S 24972651 UKAXBEOZPSRSSB-LLVKDONJSA-N 338.458 1.803 0 40 EDAB O=C([C@H]1CCCS1)N1CCN(Cc2nccn2C(F)F)CC1 78939287 ZFXAUXWTRCBKSU-LLVKDONJSA-N 330.404 1.818 0 40 EDAB CCCc1ncc(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)s1 78900390 UXAVOGQZMPDQJZ-SNVBAGLBSA-N 347.444 1.937 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CN1CCOC[C@H]1C)CC2 26451641 CFSWJXKYNDAVCF-CYBMUJFWSA-N 334.416 1.309 0 40 EDAB CC(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)C1 57348409 ASSQXJCYSRROCY-IAGOWNOFSA-N 343.427 1.335 0 40 EDAB CCSc1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cn1 58049032 CUPJNJPCVALYGA-LLVKDONJSA-N 329.447 1.556 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](c2ccc(F)cc2)C1 36075291 UXPJHPPLWAKJMY-FZMZJTMJSA-N 346.410 1.793 0 40 EDAB CN(Cc1c(F)cccc1Cl)C(=O)N[C@H]1CCS(=O)(=O)C1 44891104 VMEVTTWDEWURLM-VIFPVBQESA-N 334.800 1.808 0 40 EDAB C[C@H](NC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1ccccn1 44966516 SJUPHLLVMYYMPV-UXLLHSPISA-N 348.447 1.179 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)C[C@@H](C)O1 44968610 LLFFVSATOAUZEL-VXGBXAGGSA-N 330.392 1.740 0 40 EDAB O=C(CN1CCN(c2cccc(C(F)(F)F)n2)CC1)NC1CC1 58310913 SRZPFLKCZNWPHZ-UHFFFAOYSA-N 328.338 1.501 0 40 EDAB CNC(=O)[C@H]1CCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21 9132418 CXALMIANEWPRLB-VIFPVBQESA-N 345.380 1.900 0 40 EDAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(OC)cc1 9485386 WEZKBKSXZZVPJC-KGLIPLIRSA-N 340.470 1.786 0 40 EDAB CC(C)c1nc(S(=O)(=O)NC[C@@](C)(O)c2ccsc2)c[nH]1 95433176 GCNJUHFHEAJCPE-CYBMUJFWSA-N 329.447 1.781 0 40 EDAB CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 36391372 VCHYGIYOSZHUFD-VIFPVBQESA-N 343.305 1.396 0 40 EDAB CC(C)n1ncc2cc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cnc21 29216374 OZPFUUWRYCUSKQ-GFCCVEGCSA-N 327.388 1.962 0 40 EDAB Cn1c(=O)c2sccc2n(CC(=O)Nc2cccc(F)c2)c1=O 26496390 VSSJCBQOIHYNBJ-UHFFFAOYSA-N 333.344 1.540 0 40 EDAB CN1N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 101130135 AVZCBDCICKUCMP-IXDOHACOSA-N 337.379 1.437 0 40 EDAB CC1(C)Cc2cccc(OCCNC(=O)[C@@H]3CCC(=O)NC3)c2O1 48172428 KEQKCHDOOBHROH-CYBMUJFWSA-N 332.400 1.421 0 40 EDAB CCNC(=O)[C@H](C)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 47586685 ACOIBBFSSMTASL-NSHDSACASA-N 334.420 1.861 0 40 EDAB O=c1cc(CN2CCN(CCc3ccccn3)CC2)nc2ccccn12 48235193 JDZOUXGDLGVRFQ-UHFFFAOYSA-N 349.438 1.450 0 40 EDAB CC(C)C[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)O 71328787 YRSZEQIETAONCY-CQSZACIVSA-N 335.404 1.128 0 40 EDAB Cc1nc(Cc2noc(-c3cc(C)c(C)c(S(N)(=O)=O)c3)n2)no1 96006879 IUBYQDRGVBBUBC-UHFFFAOYSA-N 349.372 1.283 0 40 EDAB Cc1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]2CCCO2)o1 48301595 MURCHGBEVJZSRT-OAHLLOKOSA-N 347.415 1.167 0 40 EDAB CS(=O)(=O)c1ccc(N2CCSCC2)c(S(C)(=O)=O)c1 48368413 QXBBYDSXBOUPNT-UHFFFAOYSA-N 335.472 1.047 0 40 EDAB Cc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 12975633 RHCLDISOUIEMTK-UHFFFAOYSA-N 344.459 1.445 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)NC2(C(=O)O)CCCCC2)cc1 13168489 VDGLRTDSNJJVCX-UHFFFAOYSA-N 325.386 1.607 0 40 EDAB O=C1CCCN1CC[C@@H]1CN(CCn2cncn2)c2ccccc21 83403969 XURVAIVRUNFFQR-OAHLLOKOSA-N 325.416 1.894 0 40 EDAB c1ccc2nc(NC[C@H]([C@H]3CCOC3)N3CCOCC3)cnc2c1 39555101 DXIQPUFRSCXEOV-WMLDXEAASA-N 328.416 1.779 0 40 EDAB Cc1nn(C)c(N2CCOCC2)c1CNC1CCN(C(C)(C)C)CC1 65476906 VVPMKLZMQUFEDH-UHFFFAOYSA-N 349.523 1.918 0 40 EDAB COC(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCCO2)n(-c2ccccc2)n1 65496239 ILJRRLVOFDHHHX-MLGOLLRUSA-N 343.383 1.956 0 40 EDAB CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O 14018624 LXRWYFQTTORGAZ-NSHDSACASA-N 343.355 1.577 0 40 EDAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C(C)(C)CO)cc1 5346054 MVVVEUGITWRVEJ-UHFFFAOYSA-N 341.411 1.742 0 40 EDAB Cn1c(=O)n(CC(=O)N2CCC[C@H](n3cccn3)C2)c2ccccc21 65609594 ASSLBUMLIDIYAH-AWEZNQCLSA-N 339.399 1.400 0 40 EDAB CN(Cc1ccsc1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 14135578 VWMRJNIGSXZLLG-UHFFFAOYSA-N 335.429 1.961 0 40 EDAB COCCCOc1ccccc1NC(=O)N1CCN2C(=O)NC[C@H]2C1 75107864 SPZHSHVXGAPTHB-ZDUSSCGKSA-N 348.403 1.343 0 40 EDAB CCc1ccc(OC[C@H](O)CN2CCN(C(=O)C(C)C)CC2)cc1 14200855 UBGHLRFUYWNJJE-QGZVFWFLSA-N 334.460 1.789 0 40 EDAB Cc1nc(C)n(C[C@H]2CN(C(=O)c3ccnc(Cl)c3)CCO2)n1 96432805 MCDPECBKCQVISR-CYBMUJFWSA-N 335.795 1.485 0 40 EDAB O=C(Cn1cncn1)NCCOc1ncc(C(F)(F)F)cc1Cl 96423100 OTTRDVQGOUHJKE-UHFFFAOYSA-N 349.700 1.541 0 40 EDAB O=C(NC1CC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6590681 WJCUIGPAJAADHZ-UHFFFAOYSA-N 326.393 1.505 0 40 EDAB Cc1c(C(=O)NCc2ccccc2CO)sc2ncn(C)c(=O)c12 66049802 MFCIGMQSUCNNBT-UHFFFAOYSA-N 343.408 1.726 0 40 EDAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)OCO2 9514923 VOIWAYBKQHXDJA-UHFFFAOYSA-N 337.335 1.924 0 40 EDAB CNC(=O)c1ccc(CN(C)S(=O)(=O)c2c(C)noc2C)cc1 15360671 BDJIHXDQGCBAQD-UHFFFAOYSA-N 337.401 1.472 0 40 EDAB Cc1ccc(-n2nnc(CC(=O)N3CCN(C4CC4)CC3)c2C)cc1 71836630 MULSRJDXDXUDEQ-UHFFFAOYSA-N 339.443 1.733 0 40 EDAB Cc1nnc(CN2CCN(C[C@H](O)c3ccccc3F)CC2)n1C 71877059 HWPWJSLBWDBSSI-INIZCTEOSA-N 333.411 1.114 0 40 EDAB NC(=O)[C@H](CNC(=O)Cc1ccccc1F)Cc1ccc(F)cc1 71826750 LOGXDYVMMKIZQU-AWEZNQCLSA-N 332.350 1.968 0 40 EDAB CC(C)c1nc2n(n1)C[C@@H](NCC(=O)Nc1ccc(Cl)cn1)CC2 71871798 UPBNDFLKXAUTKZ-LBPRGKRZSA-N 348.838 1.993 0 40 EDAB NC(=O)[C@@H]1Cc2ccccc2CN1CCC(=O)NC1CCCCC1 71889275 YFVCIVYWCSGEEG-KRWDZBQOSA-N 329.444 1.738 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)CN1C(=O)CSc2ccccc21 68020167 RENPDPGMQBDHKE-NWDGAFQWSA-N 349.456 1.545 0 40 EDAB Cc1cnn(CCC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1 70040835 MGRWMOSKUIQTGK-GOSISDBHSA-N 342.443 1.459 0 40 EDAB COC(=O)c1c(C)[nH]c(C(=O)Cn2nc(-c3ccco3)oc2=O)c1C 8329113 VTKVKASVJQWPFH-UHFFFAOYSA-N 345.311 1.711 0 40 EDAB Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1 9761530 PANAMIIQWIICPH-UHFFFAOYSA-N 334.445 1.548 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 95994978 FLLHQLVMHPHSSL-ZDUSSCGKSA-N 338.408 1.827 0 40 EDAB CCOC(=O)[C@H](C)n1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1 69663219 BULBBBYXAVBWFG-ZFWWWQNUSA-N 345.403 1.371 0 40 EDAB O=C(NCc1cccnc1-n1cccn1)c1c[nH]nc1-c1cccnc1 69706998 WDBOXQCNNSWCRC-UHFFFAOYSA-N 345.366 1.982 0 40 EDAB C[C@H](O)CN1CCN(C(=O)Cc2csc(-c3ccco3)n2)CC1 69978078 VQCRLHIQMGEIQJ-LBPRGKRZSA-N 335.429 1.471 0 40 EDAB CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)o1 72235612 OHIGGLVQLWQYKT-CQSZACIVSA-N 345.403 1.601 0 40 EDAB N#Cc1cccc(S(=O)(=O)N2C[C@H](C(=O)O)Oc3ccccc32)c1 18707962 VYRBUDNMWPRMAS-OAHLLOKOSA-N 344.348 1.599 0 40 EDAB NC(=O)c1ccc(NC(=O)CCN2CCC[C@H](N3CCCC3)C2)cc1 72293945 BBTPLYYHJBIUQY-KRWDZBQOSA-N 344.459 1.674 0 40 EDAB OC[C@H]1CCCN1c1cc(N2CCN(c3ccccn3)CC2)ncn1 72275978 VWZWTNCAJJGFDM-OAHLLOKOSA-N 340.431 1.159 0 40 EDAB CCc1nnc2n1C[C@@H](CN[C@@H](C)C(=O)NCc1ccco1)CC2 72267492 HUMNNIZTXASWDQ-QWHCGFSZSA-N 331.420 1.290 0 40 EDAB Cc1cc(=O)c(C(=O)N[C@H]2CCc3[nH]cnc3C2)nn1-c1ccccc1 89568464 XMNQPYRRRHIYPJ-ZDUSSCGKSA-N 349.394 1.551 0 40 EDAB COc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c(OC)c1 72269052 KLGXKBVOFZCXOK-SJORKVTESA-N 348.443 1.304 0 40 EDAB O=C(NC[C@@H](O)c1c(F)cccc1F)C(=O)Nc1ccc(F)cc1 72294316 SHIVRKJNJUCRNM-CYBMUJFWSA-N 338.285 1.892 0 40 EDAB Cc1nccc(N2CCN(C(=O)NC[C@@H](C)N(C)C3CC3)CC2)n1 97136671 CQVOFAUCMFCJJJ-CYBMUJFWSA-N 332.452 1.099 0 40 EDAB CN(C(=O)CNC(=O)c1ccc(Br)cc1)[C@H]1CCOC1 97163128 GHRLINNMEUTPHP-LBPRGKRZSA-N 341.205 1.426 0 40 EDAB CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cccc3[nH]ccc23)CC1 72310341 ZTJRXJVSTBNDHO-AWEZNQCLSA-N 342.443 1.840 0 40 EDAB CC(C)[C@H](NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C(N)=O 72302870 PRQKCABAVMKXCL-ZDUSSCGKSA-N 328.372 1.854 0 40 EDAB CC(=O)N1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1csc(C)n1 306138493 RYVJMRNSMIFTTO-HUUCEWRRSA-N 330.413 1.681 0 40 EDAB C[C@H](CNC(=O)NCc1ccccc1Cn1cncn1)N(C)C1CC1 95351214 DQSFMTNBHZKSLV-CQSZACIVSA-N 342.447 1.608 0 40 EDAB O=C1C[C@H](Nc2cc(-c3ccccc3)nc3ncnn23)CN1C1CC1 89851108 RBXQYXYKURVUKH-ZDUSSCGKSA-N 334.383 1.967 0 40 EDAB CC[C@@H]1CN(C(=O)C[C@H](NC(N)=O)c2cccc(C)c2)C[C@H]1N(C)C 89948383 KJHRCVYMIVSYOY-HYVNUMGLSA-N 346.475 1.893 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)CCn1c(=O)oc2cc(Cl)ccc21 89937998 ZFOHLJWFLMRRLH-LLVKDONJSA-N 337.807 1.801 0 40 EDAB C[C@@H]1CN(C)CCN1C(=O)CCCc1nc2ccccc2c(=O)[nH]1 89937915 DCAJPBTYOHZHET-CYBMUJFWSA-N 328.416 1.408 0 40 EDAB CN(C)c1ccccc1CN1CCC[C@@H](C(=O)N2CCOCC2)C1 75649170 GBWLCLYBMVNWJB-QGZVFWFLSA-N 331.460 1.823 0 40 EDAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@H]2CC=CC[C@@H]2C1 110648217 MGTSORFTGXYPDN-ZACQAIPSSA-N 348.491 1.537 0 40 EDAB COc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc1 408669748 RWWAYVKKBKKEKS-CEVLKMKRSA-N 330.336 1.619 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](O)C(=O)OC(C)(C)C)cc1 3851704 YMHMOFFBDWZNNQ-AAEUAGOBSA-N 329.418 1.364 0 40 EDAB biogenic Cc1ccccc1C1(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)CC1 527561327 MAXCTLYVDSLVJB-YCPHGPKFSA-N 340.427 1.816 0 40 EDAB CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)[C@@H]1CCCN1 182513174 MFRBRZRTKUCDMR-RBUKOAKNSA-N 345.487 1.642 0 40 EDAB Cn1ccnc1C(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)c1 71287477 RKOUCSADBRNTOC-STQMWFEESA-N 341.367 1.946 0 40 EDAB CNC(=O)c1cn[nH]c1[C@@]1(C)CCCN(c2cc(C)nc(N)n2)C1 72388788 FCVXTZRMONIRNP-INIZCTEOSA-N 329.408 1.008 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1Cl 74803643 UNYVJPGHYQVDRY-NSHDSACASA-N 342.848 1.938 0 40 EDAB CCn1c(SC[C@H](O)c2ccccc2)nnc1N1CCOCC1 32751094 ZZIWHVCCXBAMON-AWEZNQCLSA-N 334.445 1.960 0 40 EDAB CCC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCCO 217459798 PZYRCVOCIIWHBT-SNVBAGLBSA-N 330.406 1.256 0 40 EDAB COc1ccccc1CNC(=O)[C@@H](C)n1cc2c(n1)c(C)nn2C 41124286 DEGLEKKRVHZXHF-GFCCVEGCSA-N 327.388 1.964 0 40 EDAB CCN1C(=O)COc2ccc(S(=O)(=O)Nc3ccccn3)cc21 227162154 OYHDHKXDCGQXAD-UHFFFAOYSA-N 333.369 1.628 0 40 EDAB COc1cncc(O[C@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 225499830 BQZYUWZKAFLCRV-AWEZNQCLSA-N 328.372 1.493 0 40 EDAB COc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2)cc1 224263731 GPVBUIXQIRITMV-UHFFFAOYSA-N 329.360 1.966 0 40 EDAB CCN1CCN(C(=O)Cn2ccc(=O)c3ccc(Cl)cc32)CC1 225736698 TYNZGYSQLVSWTO-UHFFFAOYSA-N 333.819 1.819 0 40 EDAB CC(C)(C(=O)N1CCN(C(=O)CC2(N)CCC2)CC1)c1ccccc1 195543211 IFVDDILSFCCVKH-UHFFFAOYSA-N 343.471 1.907 0 40 EDAB CC(C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1)=C1CCCC1 225480379 ZUSCDAOOSQUPPC-RDJZCZTQSA-N 333.476 1.984 0 40 EDAB CN1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H]1c1ccc(F)c(F)c1 195547254 MCPRXUOZVXWPJQ-RDJZCZTQSA-N 347.365 1.839 0 40 EDAB Cc1ccc(CN2CCn3cc(CN4CCN(C)CC4)nc3C2)o1 96086868 JITQCDZUOPGIBO-UHFFFAOYSA-N 329.448 1.548 0 40 EDAB CS(=O)(=O)CCn1ccc(NC(=O)Cc2ccccc2Cl)n1 96420430 SFOGFXJJUJFHGQ-UHFFFAOYSA-N 341.820 1.762 0 40 EDAB COc1ncccc1C(=O)Nc1cc(Br)c(=O)n(C)c1 96461655 BPTCUNFLSWXRRE-UHFFFAOYSA-N 338.161 1.804 0 40 EDAB CO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc2c(c1)OCCCO2 97953727 JFYSHQFZJVCLRF-JLJPHGGASA-N 333.384 1.866 0 40 EDAB Cc1cc(CN2CC[C@H]3C[C@H](C(=O)NCc4ccco4)O[C@@H]3C2)no1 96042791 DWBQJTYSIFWFLA-IAOVAPTHSA-N 345.399 1.872 0 40 EDAB C[C@@H](CCc1cccc(F)c1)C(=O)N1CCN([C@H](C)C(N)=O)CC1 96431064 XSPVRAMNUVEMSL-UONOGXRCSA-N 335.423 1.412 0 40 EDAB Cc1ccc(C(=O)N[C@H]2CCc3nnc(C)n3C2)cc1S(C)(=O)=O 97198776 RVFWNNIWUNDEIC-ZDUSSCGKSA-N 348.428 1.043 0 40 EDAB CN(C)c1cccc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)NC3CC3)C2)c1 96227603 UQYMLKIECUGKBL-VQIMIIECSA-N 327.428 1.883 0 40 EDAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1cncc(F)c1 330735937 MZUREJUGSFPFTM-BXUZGUMPSA-N 343.424 1.602 0 40 EDAB CCc1ccc(CN2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCOCC3)C2)o1 96038875 DXTCJFPVPICYGC-RCCFBDPRSA-N 348.443 1.538 0 40 EDAB CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccoc1)C2 96065009 UYRBHPBOXPFLGY-FUHWJXTLSA-N 336.432 1.869 0 40 EDAB Cc1nnc(N2C[C@H]3OCC[C@H]3[C@@H](C(=O)Nc3cccnc3)C2)s1 96065595 LNHOOCWDZDSHAR-MELADBBJSA-N 345.428 1.722 0 40 EDAB COCCN1CCC[C@H](NC(=O)N[C@H](C)Cc2c(C)noc2C)C1 96415568 CMCBYLFDYQXXAR-DOMZBBRYSA-N 338.452 1.632 0 40 EDAB COCCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccncc2)C1 91649796 MZMIVDXRZULFLJ-INIZCTEOSA-N 328.416 1.873 0 40 EDAB CC(C)(C)OC(=O)NCCNC(=O)[C@H](O)Cc1ccc(Cl)cc1 91690427 WYZSWYNOMWUYLF-CYBMUJFWSA-N 342.823 1.884 0 40 EDAB O=C(c1cocn1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 96107386 YVVXTYVVBDMQBP-DYVFJYSZSA-N 329.356 1.912 0 40 EDAB COCCn1c2c(ccc1=O)C[C@H](NC(=O)c1ccc(C)nc1)CC2 96189674 SZBKFIXFGDQAAB-MRXNPFEDSA-N 341.411 1.485 0 40 EDAB Cn1ccs/c1=N\C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 96420431 SCUHYVYRODRXGP-UFZXGQNFSA-N 329.381 1.033 0 40 EDAB O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)[C@H]1CCCOC1 245338836 OVGSITRXPNZMHD-VVLHAWIVSA-N 328.412 1.686 0 40 EDAB O=C1CC[C@H](C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)N1 240244145 DKFXBOUYXDZZJH-CHWSQXEVSA-N 340.326 1.467 0 40 EDAB CO[C@]1(C(=O)NCc2ccc(N=c3cc[nH]cc3)cc2)CCOC1 585130813 CQLCHUVYXAZYMW-GOSISDBHSA-N 327.384 1.669 0 40 EDAB O=C(c1c[nH]nc1I)N1CCCSCC1 585122078 MNFOKXICVKGAER-UHFFFAOYSA-N 337.186 1.593 0 40 EDAB CN(C)C(=O)C[C@H]1CN(CCOCc2ccccc2)Cc2ccnn21 248037558 VBWNRALJOVDDBH-SFHVURJKSA-N 342.443 1.935 0 40 EDAB Cc1cc(CCNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc(C)c1O 252496483 PJIYUEHXCWOAEU-DLBZAZTESA-N 347.459 1.666 0 40 EDAB CNc1cc([C@@H]2CCCN2C(=O)CN2CCCCCC2=O)nc(C)n1 257302314 SCMASTVLDAPBBY-HNNXBMFYSA-N 345.447 1.893 0 40 EDAB Cc1cccc(CCNC(=O)N2CCC[C@H](CN3CCOCC3)C2)n1 252494307 NRQKOYSPNAMBHA-QGZVFWFLSA-N 346.475 1.686 0 40 EDAB Cn1nccc1C(=O)NCc1cnn(-c2ccccc2C(=O)O)c1 257295731 QZQAFOXUEAQYED-UHFFFAOYSA-N 325.328 1.234 0 40 EDAB CC(=O)NCc1cn(-c2ccccc2C(=O)NCc2ccncc2)cn1 257283142 OWWRPAFXKUEVAV-UHFFFAOYSA-N 349.394 1.833 0 40 EDAB CNCC(=O)N1CC[C@H](c2nc(C)cc(Nc3nc(C)cs3)n2)C1 257291319 QGLZJACDRCRDTC-LBPRGKRZSA-N 346.460 1.829 0 40 EDAB Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN2Cc2nccn2C)n1 257266794 MEOCJRYMQNLALW-GOSISDBHSA-N 342.447 1.732 0 40 EDAB COCc1cccc(C(=O)N2CCO[C@@H](c3nc(C)cc(O)n3)C2)c1 257323385 WJXZNHFRXPISPC-OAHLLOKOSA-N 343.383 1.851 0 40 EDAB CC(=O)N1CCC(N2CCOC[C@H](Cc3cc(C)ncn3)C2)CC1 257312137 UMQDRUJBBWWQOS-MRXNPFEDSA-N 332.448 1.287 0 40 EDAB CCS(=O)(=O)N1CC[C@@H]2O[C@H](COCC3CCOCC3)CC[C@@H]21 253490773 JYJQYUYRNHUMJA-JYJNAYRXSA-N 347.477 1.401 0 40 EDAB CNC(=O)c1ccc(C(=O)N2CCCN(c3nccs3)CC2)cn1 264084365 GGVMNZJDIZYEPO-UHFFFAOYSA-N 345.428 1.250 0 40 EDAB COC[C@H]1CC[C@H]1NC(=O)CNC(=O)c1c(F)cccc1Cl 1615000931 HZWGXEGBTBWAGN-BXKDBHETSA-N 328.771 1.750 0 40 EDAB COc1cccc([C@H](CNC(=O)C(=O)NCc2ccco2)OC)c1 96390429 ISIANSQXAZHSJG-HNNXBMFYSA-N 332.356 1.408 0 40 EDAB Cc1ccoc1C(=O)N1CC2(CC[C@H](CN3CCCC3=O)CO2)C1 575402836 DCWAWYMBTJGWDW-CQSZACIVSA-N 332.400 1.832 0 40 EDAB CCCc1onc(C)c1C(=O)N1Cc2ccnn2[C@H](CC(=O)NC)C1 585095387 UEXJJGXBFDLGOH-CYBMUJFWSA-N 345.403 1.465 0 40 EDAB O=C(C1CCC1)N1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 585096013 YCQZGLHORPSVQX-HNNXBMFYSA-N 332.404 1.511 0 40 EDAB Cc1noc2ncc(NC(=O)c3cc(N4CCOCC4)ncn3)cc12 585141871 ZYIRAWXFHOUEES-UHFFFAOYSA-N 340.343 1.410 0 40 EDAB CNC(=O)C[C@]1(COC)CCCN1C(=O)c1ccc2c(c1)CCC2 585277553 IQDCEZSAEFWERV-IBGZPJMESA-N 330.428 1.933 0 40 EDAB NC(=O)CCNC(=O)c1cccc(NC(=O)NC2CCCCC2)c1 65624224 FTWGJJNNRYYFLY-UHFFFAOYSA-N 332.404 1.746 0 40 EDAB CC[C@@H](C)[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)C(=O)OC 69778592 SSNBODCZMCCXQN-BDJLRTHQSA-N 331.372 1.100 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCCN2CC(=O)Nc2cc(C)on2)n1 69874022 OPQQYUYAHHJCRE-CQSZACIVSA-N 332.408 1.685 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1nc(C)cs1 69927149 LEHKXZWIAVYGFJ-KBPBESRZSA-N 336.461 1.865 0 40 EDAB CCc1cnc(OC2CCN(C(=O)c3cccn(C)c3=O)CC2)nc1 1776000643 CLWYVWYBHDKSMT-UHFFFAOYSA-N 342.399 1.421 0 40 EDAB CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 56073313 HXKPPCUQUXWZDD-LBPRGKRZSA-N 342.417 1.594 0 40 EDAB Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 78113866 RQTNOAZTTDXOGP-UKRRQHHQSA-N 349.479 1.983 0 40 EDAB Cc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)nc1 79108628 ZXTKVHJAXXLIMB-UHFFFAOYSA-N 344.389 1.733 0 40 EDAB CCC[C@@](C)(NC(=O)c1ccc(-n2cncn2)c(F)c1)C(=O)OC 76041394 LBYSDLNTZPCVAB-MRXNPFEDSA-N 334.351 1.868 0 40 EDAB Cn1c(CN2CCO[C@@H](c3nc(C(C)(C)C)n[nH]3)C2)nnc1C1CC1 76049704 SODBSEANPDOBNR-GFCCVEGCSA-N 345.451 1.682 0 40 EDAB CNC(=O)c1cccc(NC(=O)NCC(=O)NC2CCCCC2)c1 58611460 FMLWBCLGLCNDQI-UHFFFAOYSA-N 332.404 1.617 0 40 EDAB CSc1ncccc1C(=O)NCCCN(C(C)C)S(C)(=O)=O 40535307 NXZVHAXYFJMABT-UHFFFAOYSA-N 345.490 1.593 0 40 EDAB Cc1noc(C)c1C(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1 585326324 QXIXAUPWECGHOS-UHFFFAOYSA-N 343.383 2.000 0 40 EDAB Cc1noc(CN2CCN(C[C@@H](O)COCc3ccccc3)CC2)n1 96415690 XBAHWOOOPXDAOX-QGZVFWFLSA-N 346.431 1.073 0 40 EDAB CCN1OC2(CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1=O 1549162394 PVNKVNIKXNZFTF-UHFFFAOYSA-N 332.400 1.976 0 40 EDAB COc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc(C)n1 12224359 LJHDWFKSCVPADQ-UHFFFAOYSA-N 348.428 1.305 0 40 EDAB CSCC[C@H](NC(=O)CCS(=O)(=O)c1ccccc1)C(=O)O 12390263 WBBHYHQHNHNAKS-LBPRGKRZSA-N 345.442 1.173 0 40 EDAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)NC2=NC(=C(C)C)NN21 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O=C(NCCc1ccccc1)C(=O)NC[C@@H]1COC2(CCCC2)O1 5353295 JNGOPBTWJAJCLZ-OAHLLOKOSA-N 332.400 1.147 0 40 EDAB Cn1cc(-c2nccnc2CNC(=O)c2ccc3nc[nH]c3c2)cn1 575621071 XVWJNSXTGQUHRM-UHFFFAOYSA-N 333.355 1.683 0 40 EDAB C[C@H](NC(=O)C(=O)NCC1(O)Cc2ccccc2C1)c1ccccc1 225717075 MCYKGXXWBQJLQC-AWEZNQCLSA-N 338.407 1.510 0 40 EDAB O=S(=O)(NCC[C@H](O)c1ccco1)c1ccc2c(c1)OCCO2 77111780 OIILDQLKWMVWKA-LBPRGKRZSA-N 339.369 1.453 0 40 EDAB Cc1nccc(N2CCN(C(=O)NCc3cc(C(C)C)no3)CC2)n1 97376450 BNTYCNLYUSWMSK-UHFFFAOYSA-N 344.419 1.928 0 40 EDAB O=C(CN1CCCN(Cc2cccs2)CC1)NC[C@@H]1CCCO1 30973360 DFQILJLKJICQRN-HNNXBMFYSA-N 337.489 1.551 0 40 EDAB C[C@@H](Cn1cccn1)NC(=O)c1cccc(N2CCCS2(=O)=O)c1 31230147 QDHVSONJBRYAHN-ZDUSSCGKSA-N 348.428 1.242 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 40522941 BLZDZHUCUROTFA-DOMZBBRYSA-N 328.372 1.361 0 40 EDAB CN1N=C(C(=O)NCC2(c3ccccc3)CCOCC2)CCC1=O 40515354 HYFWQRVSDADJFV-UHFFFAOYSA-N 329.400 1.459 0 40 EDAB O=C1CNC(=O)N1c1cccc(NS(=O)(=O)c2ccccc2F)c1 32598890 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347.183 1.834 0 40 EDAB CC1CCC(NC(=O)[C@H](C)N2CCN(c3cnccn3)CC2)CC1 27637924 RHFPYCQOYFSRPC-PCKAHOCUSA-N 331.464 1.682 0 40 EDAB C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccccc1OC(F)F 58265450 BXYFYLIBGSIQPH-JTQLQIEISA-N 331.344 1.852 0 40 EDAB CCOC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1CC(N)=O 58208543 LZJWUOPVBSEELR-MRVPVSSYSA-N 340.430 1.536 0 40 EDAB COc1cccc(COCC(=O)N[C@H](C)c2nnc3n2CCC3)c1 44939865 YZMWGASZZCXUIR-GFCCVEGCSA-N 330.388 1.627 0 40 EDAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccnc(-n2cccn2)c1 44977327 NTRHXAQCCWWGJZ-LBPRGKRZSA-N 339.355 1.295 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)[C@@H](C)S(C)(=O)=O)CC2 44950281 IOBFLYNANUQZOJ-SNVBAGLBSA-N 327.402 1.022 0 40 EDAB COc1ccc(S(=O)(=O)N[C@@H](C)CN2CCOCC2)cc1C 44937519 SHQHFGIGDGZSMJ-ZDUSSCGKSA-N 328.434 1.003 0 40 EDAB Cc1ccc(N[C@@H](C)C(=O)N2CCCC2)cc1S(=O)(=O)N(C)C 9739393 QUIMZMYBYMQDFO-ZDUSSCGKSA-N 339.461 1.668 0 40 EDAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)NCc1ccc(O)cc1 45528879 QIHMFEUDXKOKOR-GFCCVEGCSA-N 345.321 1.745 0 40 EDAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@]6(CCCC[C@]516)[C@H]2[C@@H]43 104280541 OZWFRSGCPORMHG-OVGUFWMDSA-N 333.391 1.963 0 40 EDAB CC(=O)NCCCNC(=O)N[C@@H](c1ccccc1F)c1nccn1C 29731244 KCOAZDQDQAGJJT-HNNXBMFYSA-N 347.394 1.474 0 40 EDAB Cc1ccc([C@](O)(CCNC(=O)NCc2cc[nH]n2)C(F)(F)F)o1 48286784 XTTSFLRCFDVXPF-CYBMUJFWSA-N 346.309 1.951 0 40 EDAB O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4ccccc4N1[C@H]25)C/C3=C/CO 100267485 PNYOGGAOQVIZDM-ACFNDLBCSA-N 334.419 1.996 0 40 EDAB O=C(NCCNc1cnccn1)c1ccc(-c2ccccc2)[nH]c1=O 75119623 KFKIZEBMAKRUEZ-UHFFFAOYSA-N 335.367 1.674 0 40 EDAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCCCC2)cc1 3552839 RLKZEODJGQZUOZ-UHFFFAOYSA-N 339.413 1.650 0 40 EDAB CCn1nnc2cc(C(=O)Nc3nc(CC(N)=O)cs3)ccc21 12981126 HBMXTTVHWJXMPJ-UHFFFAOYSA-N 330.373 1.188 0 40 EDAB CC(=O)NCc1ccc(C(=O)NCCc2ccc(C(=O)O)cc2)cc1 13443544 FXRCNQYHYIRTJQ-UHFFFAOYSA-N 340.379 1.993 0 40 EDAB Cn1c(CNC(=O)[C@@H]2COc3ccccc3O2)nc2cc(N)ccc21 13693326 DNFOVYULUBBNCO-INIZCTEOSA-N 338.367 1.612 0 40 EDAB CN(C)c1ccc(-c2nnc(SCC(=O)NC3CC3)n2C)cc1 13737042 SIEPAIDXWOGWED-UHFFFAOYSA-N 331.445 1.919 0 40 EDAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2cccnc2)N1)OCCCO4 9477599 MVLBBYOKERYIET-OAHLLOKOSA-N 336.355 1.689 0 40 EDAB CC(C)Cc1nnc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 14077654 WZZZHYADSUFNEC-QWRGUYRKSA-N 348.428 1.626 0 40 EDAB CN(C)[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 65533270 BOWGJVIUVHSJJG-LBPRGKRZSA-N 344.864 1.910 0 40 EDAB Cc1ccc(C)c(OC2CCN(CC(=O)N3CCNC(=O)C3)CC2)c1 65523731 LOTOYHCFZXEXGK-UHFFFAOYSA-N 345.443 1.105 0 40 EDAB CCOc1ccc(C[C@H](CNC(=O)Nc2ccncc2)C(N)=O)cc1 65515752 SPMKBFQEJJUPHI-CQSZACIVSA-N 342.399 1.946 0 40 EDAB NC(=O)CN(C(=O)Cc1cc2ccccc2[nH]c1=O)C1CCCC1 65518223 PMCULBWQQJHLBC-UHFFFAOYSA-N 327.384 1.327 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C1 65553482 QFSMHVKKWYTYLQ-CYBMUJFWSA-N 341.452 1.618 0 40 EDAB CC(C)(CNC(=O)c1cnn(-c2ccccc2)c1)N1CCOCC1 14202288 PPPVVLCWAZUWQD-UHFFFAOYSA-N 328.416 1.713 0 40 EDAB COc1ccccc1CC(=O)N1CCN(Cn2cc(Cl)cn2)CC1 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EDAB O=C(NCc1cccnc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842463 ABYGOCHNHKFWSW-UHFFFAOYSA-N 345.380 1.078 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCN(c3ncccc3F)CC2)on1 90630687 HWBMHNJHNAQEPF-LBPRGKRZSA-N 333.367 1.666 0 40 EDAB CN(C)c1cccc(CNC(=O)NCC(=O)NCc2ccco2)c1 72052090 AKOIEUQXZDOXLC-UHFFFAOYSA-N 330.388 1.461 0 40 EDAB CCN(CC)c1ccc(C(=O)NN2C(=O)N[C@](C)(CC)C2=O)cc1 8194437 VBEPTOZGQPXGPR-QGZVFWFLSA-N 332.404 1.898 0 40 EDAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1sccc1C(N)=O 16905591 DSSSHNQBAPIECC-QMMMGPOBSA-N 337.357 1.636 0 40 EDAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N[C@@H]1CCCNC1=O 69333145 LFQNCKKMOLEUAZ-GFCCVEGCSA-N 338.791 1.439 0 40 EDAB O=C1CC2(CCN(C(=O)c3cncc(Br)c3)CC2)CN1 91410741 YXEAPCPOJZTSBU-UHFFFAOYSA-N 338.205 1.586 0 40 EDAB CS(=O)(=O)NCCC(=O)NCC1(c2ccc(Cl)cc2)CCC1 69485699 AWUAUDQCPDYRQM-UHFFFAOYSA-N 344.864 1.817 0 40 EDAB CC(=O)N1CCc2cc(C(=O)N[C@H]3CCc4nnc(C)n4C3)ccc21 69434616 INBSMDWXIQGODQ-HNNXBMFYSA-N 339.399 1.240 0 40 EDAB Cc1noc([C@@H](C)N2CCN(CC(=O)Nc3nccs3)CC2)n1 69413693 HPIGHIBECQTIIH-SNVBAGLBSA-N 336.421 1.152 0 40 EDAB COCCn1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)ccc1=O 69568557 WOEOWNBNCJKJQO-HOTGVXAUSA-N 333.432 1.194 0 40 EDAB Cc1cc(NC(=O)CN2CCCC[C@@H]2Cn2nc(C)nc2C)n(C)n1 69597836 ZIKKYRAATLPNBY-OAHLLOKOSA-N 345.451 1.430 0 40 EDAB O=C(C1CCN(c2cnccn2)CC1)N1CCC[C@@H]1CN1CCCC1 69580608 AKEAXMXDPRLMOE-QGZVFWFLSA-N 343.475 1.780 0 40 EDAB O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@H](Oc2cccnc2)C1 97046836 RWNVCBCAMCDYJG-ZDUSSCGKSA-N 348.380 1.652 0 40 EDAB CCNS(=O)(=O)[C@@H]1CCN(Cc2cnc(C3CCC3)s2)C1 97051765 ZOBRTYHQARIHCM-CYBMUJFWSA-N 329.491 1.924 0 40 EDAB CCOCCN1CCN(Cc2nnc(Cc3ccccc3)o2)CC1 69656071 XZBCCFQUHVKRRP-UHFFFAOYSA-N 330.432 1.815 0 40 EDAB Cc1ccc(NCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)nn1 69777687 RYDLLHMKPMJXBU-UHFFFAOYSA-N 339.399 1.975 0 40 EDAB COc1ccc([C@H](CNC(=O)c2ccc(=O)[nH]c2)N2CCCC2)cc1 17911609 GERUKASEVCJCJX-KRWDZBQOSA-N 341.411 1.950 0 40 EDAB CC(C)c1nc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)no1 72299419 DXNVUJNDQQKCEU-RYUDHWBXSA-N 335.408 1.647 0 40 EDAB CCc1nc2n(n1)C[C@H](NC[C@H](O)COCc1cccs1)CC2 69843626 QNBYFXMZEFZCIA-OLZOCXBDSA-N 336.461 1.384 0 40 EDAB C[C@H](CS(C)(=O)=O)N(C)C(=O)NCc1cccc2cccnc12 69933012 FOGVSXAVKRPASS-GFCCVEGCSA-N 335.429 1.809 0 40 EDAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)c(C)c1 69977733 FNIPVXYPOVVOAJ-KBPBESRZSA-N 347.440 1.422 0 40 EDAB COCCS(=O)(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 72230493 RPBYYZNCZADKHZ-LLVKDONJSA-N 326.418 1.662 0 40 EDAB O=C(CN1CCc2sccc2C1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269632 WTQVHJDKMXSHII-CVEARBPZSA-N 349.500 1.164 0 40 EDAB CC[C@@H](C)NC(=O)CN1CCN(c2noc(-c3ccoc3)n2)CC1 97163754 ZYXZSGOUCPUEFN-GFCCVEGCSA-N 333.392 1.366 0 40 EDAB O=C(CC12CC3CC(CC(C3)C1)C2)OC[C@H](O)CN1CCOCC1 19228060 BMBIZCWGIXBYRA-YMVOSSCXSA-N 337.460 1.829 0 40 EDAB Cc1nc(C2(NC(=O)[C@@H](C)Oc3cccc(CO)c3)CCC2)no1 89718133 YHJULTJGLBKXLO-LLVKDONJSA-N 331.372 1.833 0 40 EDAB COc1cccc([C@@H]2[C@@H](C(=O)Nc3nncs3)CC(=O)N2C)c1 72405854 IGXDKNLIFSNIHB-WCQYABFASA-N 332.385 1.705 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC(C(=O)NC)CC1 89274661 UHXBWXAYEBBWAF-UHFFFAOYSA-N 338.429 1.078 0 40 EDAB CCN(CC)C[C@H](NC(=O)C(=O)Nc1ccn(C)n1)c1ccccc1 95399150 AXMXZAXTYTUYKY-HNNXBMFYSA-N 343.431 1.558 0 40 EDAB C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 89904454 AZKZVGBPKHOHFI-GXTWGEPZSA-N 348.838 1.898 0 40 EDAB O=C(Nc1c[nH]cc(Br)c1=O)[C@@H]1CC12CCOCC2 89991351 PPLAMFBJIKBOQJ-QMMMGPOBSA-N 327.178 1.893 0 40 EDAB COC(=O)c1ccoc1Cn1cc(I)cn1 76018381 KZFGGFKZADGFBN-UHFFFAOYSA-N 332.097 1.916 0 40 EDAB CN(C)S(=O)(=O)c1cccc(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 21277053 GJOVOJZCQJFPIG-HUUCEWRRSA-N 348.424 1.388 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CC)cc1 408596339 SCQOINRLZVZVJX-NWDGAFQWSA-N 328.434 1.667 0 40 EDAB CN1C(=O)CN(C2CCN(C(=O)COCc3ccccc3)CC2)C1=O 669746609 PESMNECLNNZLLW-UHFFFAOYSA-N 345.399 1.088 0 40 EDAB Cn1cc([C@@H]2C[C@H](C(=O)O)CN(C(=O)Cc3ccccc3)C2)cn1 1549796188 PLFHWJSMWKFNOF-CABCVRRESA-N 327.384 1.680 0 40 EDAB CCn1ccnc1CN1CC[C@](NC(C)=O)(c2nc(C)cs2)C1 548673882 FKTKDNRSYHRBTJ-MRXNPFEDSA-N 333.461 1.905 0 40 EDAB Cc1cccc(C(=O)N[C@@H]2CCN([C@@H](C)c3nnnn3C3CC3)C2)n1 1010231764 XPONCUYPZKREST-QWHCGFSZSA-N 341.419 1.277 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 306144249 ZAKKGIIYCXSLSU-AWEZNQCLSA-N 340.445 1.429 0 40 EDAB Cc1csc(NC(=O)CCCn2nnc3ccccc3c2=O)n1 32100829 LICCHHZCJZIXEO-UHFFFAOYSA-N 329.385 1.975 0 40 EDAB CS(=O)(=O)N1Cc2cccc(Br)c2C[C@H]1C(=O)O 519545567 LMVHBPNPSOKBLW-JTQLQIEISA-N 334.191 1.220 0 40 EDAB CN1CCOC[C@H]1c1n[nH]c(CNc2ncc3ccsc3n2)n1 1553926752 BSCVONQBMIRSLG-JTQLQIEISA-N 331.405 1.425 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)no1 306132454 LJJRAQXQFAXWFI-DJIMGWMZSA-N 342.399 1.255 0 40 EDAB COC(=O)c1ncoc1COCC(=O)N1CCc2ccc(F)cc21 521396292 IKEZSSGUWYLKTO-UHFFFAOYSA-N 334.303 1.706 0 40 EDAB Cc1cc(N2CCCC2)nc2sc3c(=O)n(CC(=O)O)cnc3c12 71279540 HHLWURFOLNSUFB-UHFFFAOYSA-N 344.396 1.999 0 40 EDAB CSc1nn(CN(C)CC(=O)N2CCOCC2)c(=S)s1 78919587 AQYRWYBLZVMHDA-UHFFFAOYSA-N 334.492 1.144 0 40 EDAB C[C@H](CN(C)C(=O)COc1ccc(F)c(Cl)c1)c1nnn[nH]1 124099154 WPRLYUWXYFOBMC-MRVPVSSYSA-N 327.747 1.633 0 40 EDAB O=S1(=O)CC[C@@H](NC[C@H](O)CO[C@H]2CCCc3ccccc32)C1 37470590 FZHKONYHLVEDDV-VYDXJSESSA-N 339.457 1.218 0 40 EDAB CCc1nnc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CN)C3)n2)s1 72382993 LLVINHMTQULYPE-SNVBAGLBSA-N 347.448 1.217 0 40 EDAB Cc1cc(C(N)=O)nc([C@@]2(C)CCCN2C(=O)c2cscn2)n1 72388480 MYGYSAFYWLQOPT-OAHLLOKOSA-N 331.401 1.492 0 40 EDAB CC(C)Cc1n[nH]c(NC(=O)CCN2C(=O)CC3(CCCC3)C2=O)n1 79489195 UHSKLIJJHRJONU-UHFFFAOYSA-N 347.419 1.651 0 40 EDAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)COC 218208581 FBPFMGPDSCKGRH-AGIUHOORSA-N 348.262 1.694 0 40 EDAB CS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CO)C(=O)O 218194940 LGOUXUNGDMLODC-JFGNBEQYSA-N 349.202 1.023 0 40 EDAB C[C@@H]1OCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)O)c2)[C@@H]1C 566176352 HWQGSUNBOKOYKO-BDAKNGLRSA-N 333.793 1.836 0 40 EDAB Cc1cnn(CCCNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 78988757 RAANOEXSDJOVAH-LLVKDONJSA-N 347.341 1.044 0 40 EDAB Nc1ncc(Cl)cc1S(=O)(=O)N1CCC2(CC1)C[C@H]2C(=O)O 564058645 OKYIBUGJTXGDTK-VIFPVBQESA-N 345.808 1.193 0 40 EDAB Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1c(C)noc1C 224296569 OFTWKDMVTHKEDP-UHFFFAOYSA-N 325.394 1.565 0 40 EDAB COc1cc(NC(=O)NC[C@H](O)c2cccn2C)cc(OC)c1OC 75155191 NWYOMICZGSFTDR-ZDUSSCGKSA-N 349.387 1.906 0 40 EDAB COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1cccnc1 225711776 XYAZMGZFSFLHND-QGZVFWFLSA-N 348.424 1.593 0 40 EDAB O=c1c2cccnc2cnn1CCS(=O)(=O)c1ccc(F)cc1 225732546 SMSBEIKQVMKNQO-UHFFFAOYSA-N 333.344 1.405 0 40 EDAB Cc1cc(NC(=O)CN(C)S(C)(=O)=O)cc(C)c1Br 191317462 PRKKAAJRUDSUET-UHFFFAOYSA-N 349.250 1.896 0 40 EDAB CNS(=O)(=O)c1cccc([C@H](C)NCC[C@H]2CCCN2C)c1 195549741 HOLRPVGVOKXLHZ-DZGCQCFKSA-N 325.478 1.730 0 40 EDAB COC[C@@H](O)CNC(=O)N[C@H](C)Cc1cccc(Br)c1 225783590 NEUGJYMKGPUVAQ-MFKMUULPSA-N 345.237 1.687 0 40 EDAB Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)C1CCC1)CC2 96254845 CZZUMFAHIFKTPK-UHFFFAOYSA-N 330.432 1.349 0 40 EDAB Cc1cccc(C(=O)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)n1 96217121 MDKDBFSHSGGVDH-KCQAQPDRSA-N 328.372 1.554 0 40 EDAB O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cn(CC(=O)N2CCCC2)nn1 95401245 CLSHCUHOQYEAGZ-HUUCEWRRSA-N 345.447 1.599 0 40 EDAB O=C(c1ccncc1F)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 96201826 GCKACYJEEOJFLC-HNAYVOBHSA-N 339.370 1.967 0 40 EDAB CC(=O)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96182820 OSFIDZOGCVHOBY-KURKYZTESA-N 342.443 1.029 0 40 EDAB Cn1ccnc1CCNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 95404153 ZLBZIAAWUYEHRK-KRWDZBQOSA-N 342.443 1.370 0 40 EDAB O=C1CCCN1C[C@H]1CN(C(=O)c2cccs2)Cc2nccn2C1 96188457 KNPGQCBBARHHSB-ZDUSSCGKSA-N 344.440 1.839 0 40 EDAB O=C(NCc1cccnc1)[C@@H]1CCO[C@@H]2CCN(CC3CC3)C[C@@H]21 96043477 FNSMZXWFLJJNAO-KZNAEPCWSA-N 329.444 1.835 0 40 EDAB Cc1nsc(N2CCN(CC(=O)N(C3CC3)[C@@H](C)C3CC3)CC2)n1 96452032 JNWZSGNROZHPFV-LBPRGKRZSA-N 349.504 1.758 0 40 EDAB COC(=O)c1ncc(NC(=O)N2CC(C(C)(C)O)C2)cc1Cl 585119889 YWEBXBLJMODWJT-UHFFFAOYSA-N 327.768 1.756 0 40 EDAB CCCc1occc1C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 585125925 ITYQZAWBQIAXJH-UHFFFAOYSA-N 348.447 1.357 0 40 EDAB CO[C@@H]1C[C@@H]2C(=O)N([C@H]3C[C@@H](C)N(c4ccccc4)C3=O)C(=O)N2C1 240423819 FRCLDYYMARXZQZ-NGFQHRJXSA-N 343.383 1.232 0 40 EDAB CNc1nccnc1[C@@H]1CN(S(=O)(=O)c2ccccc2C)CCO1 257274871 NMYLMTQHFYZBAL-ZDUSSCGKSA-N 348.428 1.589 0 40 EDAB Cc1cncc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCCN3)C2)c1 252508254 XIGRBQWGUKAGMI-GOEBONIOSA-N 330.432 1.110 0 40 EDAB COCC(=O)N1CCC(Cc2nccnc2N2C[C@H](C)OC2=O)CC1 257335451 YKFHQCJRKWFCHO-LBPRGKRZSA-N 348.403 1.249 0 40 EDAB CC(C)N1C(=O)CO[C@H]2CCN(Cc3cccc(C(=O)O)c3)CC[C@@H]21 257240220 HSPXCUQLLVKRHT-IRXDYDNUSA-N 346.427 1.985 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3nccs3)C2)OC1 253488882 CDDUJKGNAFUEGQ-LBPRGKRZSA-N 345.490 1.063 0 40 EDAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)CC 252515977 PACMMUHJVBRHGH-UMVBOHGHSA-N 329.393 1.234 0 40 EDAB CN(C)CC(=O)N1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1 257303423 SHFBAYLOFOJEJO-CYBMUJFWSA-N 341.419 1.278 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(N)s3)C2)cc1 260880316 CJPKPHRYKWSDSX-NSHDSACASA-N 338.458 1.997 0 40 EDAB CN(Cc1nccs1)[C@@H]1CC12CCN(Cc1nnn(C)n1)CC2 283344913 ZXHMGXBUDDIAHY-GFCCVEGCSA-N 333.465 1.153 0 40 EDAB Cc1cnc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)o2)s1 607936214 OFKALCIMDYDTEL-UHFFFAOYSA-N 329.403 1.225 0 40 EDAB N[C@H]1CC12CC(NS(=O)(=O)N1CCC3(CCCCC3)CC1)C2 1615059173 WRJJNJKOGKOYCX-BBBYJDLNSA-N 327.494 1.747 0 40 EDAB COc1ccc(CNC(=O)c2ccc(C(=O)O)nc2)cc1NC(C)=O 1615630257 CPZVOUSXKJDLBA-UHFFFAOYSA-N 343.339 1.677 0 40 EDAB CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cnn3c2CCC3)cn1 1616043800 LIORTYKPIURMRT-GOEBONIOSA-N 329.404 1.696 0 40 EDAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@@]1(O)CCCC(C)(C)C1)C2 606444529 QFPSQRRFTZPDTA-IFXJQAMLSA-N 349.475 1.489 0 40 EDAB O=S(=O)(NCCc1csc(-n2cccn2)n1)c1cccnc1 90703612 WPUYEWMXJLMICP-UHFFFAOYSA-N 335.414 1.245 0 40 EDAB O=C(NCCn1cnc(C2CC2)cc1=O)[C@H]1COc2ccccc2O1 390828752 TZQVMVVKLQHBFU-MRXNPFEDSA-N 341.367 1.077 0 40 EDAB COCCN1CCN([C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)CC1 585289641 TUAYHWOMCFCJAD-DFQSSKMNSA-N 348.487 1.920 0 40 EDAB O=C(NCc1cccs1)[C@H]1CN(C(=O)C2CCC2)Cc2cncn21 585096147 VCFPTMVXICUKPW-OAHLLOKOSA-N 344.440 1.944 0 40 EDAB CCOC(=O)c1ccc(NS(=O)(=O)C[C@@H](OC)C(C)C)c(O)c1 585141477 WMZYQGQPPUZUBG-CQSZACIVSA-N 345.417 1.982 0 40 EDAB CS(=O)(=O)CCN1CCC(Nc2cnc3ccccc3n2)CC1 68766948 RWADIPOACMULBS-UHFFFAOYSA-N 334.445 1.551 0 40 EDAB CN1C(=O)CN(C2CCN(C(=O)/C=C/c3ccccc3F)CC2)C1=O 827911209 MOKATXROJIRWCC-VOTSOKGWSA-N 345.374 1.724 0 40 EDAB CCc1nnsc1C(=O)N1CCCN(c2ccc(C)nn2)CC1 69600254 DBCMACUQHWERLN-UHFFFAOYSA-N 332.433 1.551 0 40 EDAB Cc1nc(CN2CCCN(C(=O)C3=NN(C)C(=O)CC3)CC2)cs1 69744025 YNEJXZGUIBMXBK-UHFFFAOYSA-N 349.460 1.094 0 40 EDAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 69700757 BJHTWINSZSKKSH-JTQLQIEISA-N 346.836 1.489 0 40 EDAB CC[C@H]1CN(CC(=O)N(C)Cc2cccs2)CCN1C[C@@H](C)O 72267430 VFUGHSYGQYSFCS-CABCVRRESA-N 339.505 1.484 0 40 EDAB COc1ccnc(N2CCN(C(=O)CCc3nccs3)CC2)n1 55314136 MNVLWOLFEYZZCO-UHFFFAOYSA-N 333.417 1.223 0 40 EDAB CCC[C@H](NC(=O)C(=O)Nc1cc(CC)nn1C)c1ccccn1 77749259 UQFIUSCUJGXDKA-AWEZNQCLSA-N 329.404 1.974 0 40 EDAB COCc1nc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)cs1 76056732 BKOACQSINAOTJO-DGCLKSJQSA-N 325.434 1.082 0 40 EDAB CC[C@H](C)NC(=O)CN1CCN(Cc2nnsc2Cl)CC1 40497204 LLEWDAMCNPJISM-JTQLQIEISA-N 331.873 1.224 0 40 EDAB Cc1cccc(N(C)S(=O)(=O)c2cnn(C)c2Br)n1 585129227 CESFIMOPUQFZKA-UHFFFAOYSA-N 345.222 1.711 0 40 EDAB COCCN1CCN(CC(=O)NCC2(c3ccccc3)CC2)CC1 42565392 HQNBKTSVAQKGKL-UHFFFAOYSA-N 331.460 1.098 0 40 EDAB O=C(C1CC1)N1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615123620 UDBRISGIJPBWFZ-UHFFFAOYSA-N 332.375 1.960 0 40 EDAB Cc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(C[C@@H]2CCCO2)C3)cc1 11665622 KHVWSXKMBRGLPY-XJKSGUPXSA-N 327.384 1.624 0 40 EDAB CS(=O)(=O)c1cncnc1[C@H]1CCCN(C(=O)N2CCCC2)C1 12128320 DAMIRBPALXLBLV-LBPRGKRZSA-N 338.433 1.275 0 40 EDAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC3CC3)[C@H]4C2=O)cc1 15905577 ZSTRBARPVXWWDN-PASDCYSWSA-N 340.379 1.260 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1nc2n(C)c3ccccc3n2c1=O 19496234 PCJDTYMSGMJBOA-STQMWFEESA-N 341.415 1.683 0 40 EDAB Cc1c(C(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cnn1C 19553269 MPMGWXYBPRHEBB-ZDUSSCGKSA-N 341.415 1.251 0 40 EDAB CN1CCN(C(=O)[C@@H]2CN(C)C[C@]23CCc2ccccc2C3=O)CC1 19589769 VHVDUIRHMCBMNM-FXAWDEMLSA-N 341.455 1.138 0 40 EDAB O=C(CCS(=O)(=O)c1ccccc1)N1CCC(n2ccnn2)CC1 206937238 SBVFAHOGFVLHPO-UHFFFAOYSA-N 348.428 1.306 0 40 EDAB CC(C)Oc1ccc(CNC(=O)[C@@H]2C(=O)NC[C@@H]2C(C)(C)C)cn1 585149485 ALHZKBPORCDHKZ-DZGCQCFKSA-N 333.432 1.893 0 40 EDAB CCOC(=O)CSc1nnc(/C=C\c2cccs2)c(=O)n1N 33374214 OFTOOMICWPYSRV-WAYWQWQTSA-N 338.414 1.239 0 40 EDAB CCOC(=O)C1=C(COC(=O)c2ccc(C)s2)NC(=O)N[C@H]1C 6052226 TVMAZTUMHDYBLG-VIFPVBQESA-N 338.385 1.732 0 40 EDAB CN(C)c1ccc(C(=O)N2CC(Oc3ccnc(C(N)=O)c3)C2)cc1 1889149316 RPVPCXLUJFEKCW-UHFFFAOYSA-N 340.383 1.150 0 40 EDAB C[C@H](CNC(=O)[C@H](C)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 24594104 OGVJRZHOWRKYIP-CVEARBPZSA-N 343.471 1.849 0 40 EDAB O=C1NC[C@H](c2ccccc2)C12CCN(S(=O)(=O)C1CC1)CC2 1259272844 PVIADOASYFZDRL-OAHLLOKOSA-N 334.441 1.474 0 40 EDAB CCOc1ccc(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)cc1 2710768 GJLQDHVBWSNZEY-GHMZBOCLSA-N 336.413 1.903 0 40 EDAB O=C(NC[C@H]1CCCO1)C(=O)Nc1cccc(N2CCCC2=O)c1 10220964 TXLYVAWULONBJR-CQSZACIVSA-N 331.372 1.047 0 40 EDAB O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(=O)c3cc(C4CC4)on3)C[C@H]1O2 2055739058 JWBSYSKQHGFBBR-WOSRLPQWSA-N 345.399 1.450 0 40 EDAB CC(C)CNC(=O)C(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 23127805 MTNPPBZKSPGROW-QGZVFWFLSA-N 347.459 1.338 0 40 EDAB CO[C@@H](CNC(=O)CN1C(=O)CCC1=O)c1ccc(Cl)s1 225700994 DGOUPNPTVZWABZ-QMMMGPOBSA-N 330.793 1.354 0 40 EDAB O=C(NCc1cn(-c2cccnc2)nn1)c1cc(=O)c2ccccc2o1 575617982 GAKAJOQFBCETET-UHFFFAOYSA-N 347.334 1.699 0 40 EDAB O=C(Cn1cnc2ccccc21)NCc1ccnc(N2CCCC2=O)c1 575617966 CCTNNVYRRDFDLR-UHFFFAOYSA-N 349.394 1.875 0 40 EDAB O=C(c1ccccn1)N1CC[C@H](Oc2ncc(Br)cn2)C1 606440881 LXIYCWPAKAUXEY-NSHDSACASA-N 349.188 1.928 0 40 EDAB Cn1c(O)nc2c(N3CCN(c4ccccc4F)CC3)ncnc21 2298078363 AUJFPPQWXCPQSV-UHFFFAOYSA-N 328.351 1.535 0 40 EDAB CCCS(=O)(=O)NC1CCN([C@@H](C(N)=O)c2ccccc2)CC1 30135461 GAWLIHAHBKAHQY-OAHLLOKOSA-N 339.461 1.007 0 40 EDAB Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C)CC4)sc3nc12 20312436 CRYRVUAYLNKNKO-UHFFFAOYSA-N 342.424 1.605 0 40 EDAB CCn1cnnc1CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 40535070 KOWDTTIWLYXBSV-HNNXBMFYSA-N 330.388 1.786 0 40 EDAB NC(=O)[C@@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)CCO1 51616041 MAIVBYXNEZQBNT-HNNXBMFYSA-N 333.388 1.726 0 40 EDAB CC(C)COc1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cn1 52745207 WOMSOMYNNYQTNO-UHFFFAOYSA-N 335.404 1.128 0 40 EDAB O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccco2)C1 33117960 AORLKNBXCRLZTI-HOCLYGCPSA-N 340.379 1.748 0 40 EDAB O=C(NCCn1ccnc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 52902600 SAQYRZCTNJQVHZ-GFCCVEGCSA-N 332.791 1.706 0 40 EDAB NC(=O)[C@H](NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccccc1 41792776 SGLFZYHLVFPVQM-JKSUJKDBSA-N 341.342 1.662 0 40 EDAB Nc1nn2c(=O)cc(CSc3nccn3-c3ccccc3)nc2[nH]1 103682813 DANGBYLVVNIPEB-UHFFFAOYSA-N 339.384 1.478 0 40 EDAB CC1CCN(S(=O)(=O)NCCc2ccc3c(c2)OCO3)CC1 23018625 CTILFMDMHZYNNA-UHFFFAOYSA-N 326.418 1.524 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)Cc1csc(N2CCCC2=O)n1 42535320 KKEXHORYMXQDMR-LLVKDONJSA-N 333.417 1.214 0 40 EDAB CCOC(=O)C1=NN[C@]2(CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1 545684 ZBUVMNZDPDKXCH-KRWDZBQOSA-N 329.356 1.218 0 40 EDAB Cc1noc(C)c1COC(=O)CNS(=O)(=O)Cc1ccccc1 24807958 FFMCSSZBDUGTOW-UHFFFAOYSA-N 338.385 1.454 0 40 EDAB Cc1ccc(-c2nc(CN3C(=O)N[C@@]4(CCSC4)C3=O)no2)cc1 24816693 KWLABKOLZVZYSO-MRXNPFEDSA-N 344.396 1.973 0 40 EDAB COCCN1CCCN(C(=O)Cc2cc(C(C)=O)ccc2OC)CC1 77742284 UAZLPEMMQDUAAB-UHFFFAOYSA-N 348.443 1.621 0 40 EDAB NC(=O)c1cc([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n[nH]1 78900099 YVQQDBVSXHMJBN-LLVKDONJSA-N 332.429 1.909 0 40 EDAB NC(=O)c1cccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 12521045 HTJXTDGEQSSVRF-UHFFFAOYSA-N 344.348 1.693 0 40 EDAB NC(=O)C1(N2CCN(C(=O)[C@H]3C[C@H]4CC[C@H]3C4)CC2)CCCCC1 106799680 UZOLGSZFTJSJBF-JYJNAYRXSA-N 333.476 1.755 0 40 EDAB CC(C)C(=O)Nc1ccc(CNC(=O)Cn2cccnc2=O)cc1 25148664 MFZGBOINDMJDIH-UHFFFAOYSA-N 328.372 1.154 0 40 EDAB CCN1C[C@@H](C(=O)NCc2cccc(N3CCCCC3=O)c2)CC1=O 55662593 SIXQGYTVIZJWRB-HNNXBMFYSA-N 343.427 1.688 0 40 EDAB CN1N=C(C(=O)NCCc2nccn2Cc2ccccc2)CCC1=O 26216980 OTZVCEBHMLCQSS-UHFFFAOYSA-N 339.399 1.198 0 40 EDAB CCn1cc(C(=O)NCC2(C(N)=O)CCOCC2)c2ccccc21 57008265 AWHHWMKUYIORAI-UHFFFAOYSA-N 329.400 1.673 0 40 EDAB O=S(=O)(CC1CC1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 108106807 KPYOSDZMZZAKCD-IAGOWNOFSA-N 336.457 1.311 0 40 EDAB c1ccc(COC[C@@H]2CN(C[C@H]3CCOC3)Cc3ccnn3C2)nc1 107722324 MRVOFLPJMVKBNV-IAGOWNOFSA-N 342.443 1.963 0 40 EDAB C[S@@](=O)c1ncn(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)n1 95974841 ZMDKNRAWUASWGR-XFNZEKPQSA-N 333.335 1.638 0 40 EDAB Cc1cc(Cl)cc2nc(Nc3cnn(CC(=O)NCCO)c3)oc12 95962020 IVHCYOKVDPHXCC-UHFFFAOYSA-N 349.778 1.838 0 40 EDAB O=C(OCc1ccoc1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 58177607 JQYJBBLKOMAQNN-UHFFFAOYSA-N 347.348 1.944 0 40 EDAB CCOC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 58192456 WRKKERYVMZOBDM-UHFFFAOYSA-N 342.417 1.548 0 40 EDAB CNc1snc(C)c1C(=O)NCCC(=O)NCc1ccccc1 58294831 KCMBDQIOUHZAPX-UHFFFAOYSA-N 332.429 1.930 0 40 EDAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1 58223199 OVBCHALYEVHOPE-CYBMUJFWSA-N 341.411 1.905 0 40 EDAB CC(=O)c1cccc(O[C@@H](C)C(=O)N2CC(N3CCN(C)CC3)C2)c1 521394058 WZRHBSNZTOYSMG-HNNXBMFYSA-N 345.443 1.115 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)O[C@@H]1CCN2Cc3ccccc3N=C12 2133959 ZCDCWVWJHPGSKF-TZMCWYRMSA-N 349.412 1.218 0 40 EDAB biogenic COCCCNC(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O 2179580 UIMBFQNAUUJBJQ-LBPRGKRZSA-N 348.424 1.890 0 40 EDAB Cc1noc([C@H](C)NC(=O)CCn2cnc3ccccc3c2=O)n1 58342706 HQRJCRHIKTUPDN-JTQLQIEISA-N 327.344 1.355 0 40 EDAB Cn1ncc2c(NCc3cccnc3N3CCOCC3)ncnc21 45026588 NIFCELFUMHUCKG-UHFFFAOYSA-N 325.376 1.207 0 40 EDAB CC(C)CCNC(=O)CSc1nnc(-c2cccs2)n1N 2657265 RHDQMWQXOPVJAH-UHFFFAOYSA-N 325.463 1.975 0 40 EDAB C[C@@H]1CN(C(=O)NCc2cccnc2N2CCOCC2)C[C@@H](C)O1 46891431 STEZISOQZUHQIW-ZIAGYGMSSA-N 334.420 1.237 0 40 EDAB CC1CCN(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 46956619 GWVKNDQMHKXGAY-GOSISDBHSA-N 343.471 1.883 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)N1CCN(Cc2cccs2)CC1 47029143 HRMVIOULCBLMCC-CQSZACIVSA-N 333.461 1.861 0 40 EDAB COc1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)c2ccco2)cc1 57730938 FNUXWMITOKFQEB-HNNXBMFYSA-N 326.352 1.985 0 40 EDAB O=C(NCCNc1nc2ccccc2s1)N[C@H]1CCCCNC1=O 48235549 PWLDUEBGTVGHEU-LBPRGKRZSA-N 347.444 1.676 0 40 EDAB O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@@]2(CCOC2)C1 96007744 BKVJOIBBRYKXCW-GFCCVEGCSA-N 336.335 1.902 0 40 EDAB C[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)c2ccccc2S1 12991172 FWENDVMOULZMHJ-NSHDSACASA-N 333.413 1.798 0 40 EDAB O=c1oc(-c2ccco2)nn1CCS(=O)(=O)Oc1ccccc1 12925316 PYJLMCAXQYXIGB-UHFFFAOYSA-N 336.325 1.505 0 40 EDAB O=C(Cc1ccc2c(c1)CCO2)N[C@@H](Cc1ccccc1)C(=O)O 13259858 JXQWLJLKJLSGEF-INIZCTEOSA-N 325.364 1.976 0 40 EDAB Cc1ccc(C(=O)O[C@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)cn1 89652200 OVIBGVKYLCWYOJ-CABCVRRESA-N 347.415 1.295 0 40 EDAB C[C@H](C(=O)NC1CC1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 67488588 RVPWABKRKXIZEB-MRVPVSSYSA-N 345.804 1.552 0 40 EDAB CC(C)Oc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)s2)cc1 9306129 JBSORXWCHJRLHI-UHFFFAOYSA-N 341.414 1.981 0 40 EDAB CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CCc3nccn3C2)c1 65463220 PZZLMBQNQFSEQQ-AWEZNQCLSA-N 333.413 1.173 0 40 EDAB COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O)c1)[C@@H](O)C2=O 14643684 SVPNMFZMHPLGRR-DLBZAZTESA-N 332.308 1.792 0 40 EDAB endogenous,in-man C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cnc(-c2cnn(C)c2)s1 66376846 NCQQRFMCSGMASL-UWVGGRQHSA-N 333.417 1.270 0 40 EDAB O=C(O)c1c(NC(=O)N(CCO)CCO)sc2c1CCCC2 6755846 LYEBIDPUTCTOFP-UHFFFAOYSA-N 328.390 1.144 0 40 EDAB CCNc1nnc(SCC(=O)N[C@@H](CC(C)C)C(=O)OC)s1 9514209 UNAHXTIXPXXCBI-VIFPVBQESA-N 346.478 1.766 0 40 EDAB CCn1cc(NC(=O)c2ccccc2S(=O)(=O)N2CCCC2)cn1 66613103 GQGFWUXZLDEQEX-UHFFFAOYSA-N 348.428 1.940 0 40 EDAB NC(=O)C1CCN(C(=O)CN2CCC[C@@H](c3ccccc3)CC2)CC1 66898174 HOLDUGIARCDPTH-QGZVFWFLSA-N 343.471 1.980 0 40 EDAB C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCCn3ncnc32)C1=O 71826670 JAYBQYRDMXKTGE-LBPRGKRZSA-N 341.371 1.219 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(OCC(F)(F)F)nc1 71829697 YGOJSCCOKDJUHS-ONGXEEELSA-N 345.321 1.749 0 40 EDAB Cc1nn(C)c(C)c1C(=O)NCc1cccc(CN2CCOCC2)c1 71821259 DJICPHLDGSTUEH-UHFFFAOYSA-N 342.443 1.799 0 40 EDAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2cnnc2[S@](C)=O)c1C 71804125 ZZJRTUVALBAKDO-HSZRJFAPSA-N 338.389 1.020 0 40 EDAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1CCS(=O)(=O)C1 7436105 UXQJSWDYISUBTE-AWEZNQCLSA-N 347.440 1.540 0 40 EDAB O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(F)c(F)c1F 16045295 WYHMNWMFUWACIL-UHFFFAOYSA-N 326.230 1.588 0 40 EDAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)N2CCCC2)cc1 7802086 HUIXNQJLCBDCJI-UHFFFAOYSA-N 346.427 1.880 0 40 EDAB COc1cc(C(=O)O[C@H](C)C(=O)N2CCCC2)cc2c1OCCO2 7939336 GLPASUOKUTZQBV-LLVKDONJSA-N 335.356 1.634 0 40 EDAB O=C(Cc1ccccc1)NCC(=O)N1CCN(c2ccccn2)CC1 8189564 DQTPRQIMZVINQS-UHFFFAOYSA-N 338.411 1.089 0 40 EDAB C[C@@H](CS(C)(=O)=O)N(C)c1nc(N(C)C)cc(C(F)(F)F)n1 70037384 CUSHNOAIXNBXDW-QMMMGPOBSA-N 340.371 1.431 0 40 EDAB CN1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 69442834 KMLRGNFBBGNDPI-UHFFFAOYSA-N 341.205 1.608 0 40 EDAB CCOc1ccnc(N2CCN(C(=O)Cc3ccc(C)nc3)CC2)n1 69512724 CRXMIUDNPGSSEY-UHFFFAOYSA-N 341.415 1.470 0 40 EDAB Cc1cc(NC(=O)CN2CCN(C[C@H](O)c3ccccc3)CC2)on1 69628352 QISRCDOYUWQCTO-INIZCTEOSA-N 344.415 1.273 0 40 EDAB Cc1cccc(OCCNC(=O)CN[C@@](C)(CO)c2ccccc2)c1 69653954 UTVSCWBLWXXXBZ-FQEVSTJZSA-N 342.439 1.987 0 40 EDAB NS(=O)(=O)c1ccc(OCCC(=O)NCC2CCCC2)cc1 69629623 VXPUMBKCWHQWII-UHFFFAOYSA-N 326.418 1.409 0 40 EDAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)C2)n1 72235560 FHRVWQXIPFLCIB-WQVCFCJDSA-N 336.436 1.643 0 40 EDAB COCCn1cc(C(=O)N2CCCC[C@@H]2Cn2cccn2)ccc1=O 72279919 AQRUKQOHMYJEMH-MRXNPFEDSA-N 344.415 1.386 0 40 EDAB O=C(c1ccc(N2CCCC2)nc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269647 DNAXHMLSQOYCFE-IRXDYDNUSA-N 344.459 1.353 0 40 EDAB O=C1C[C@@H](C(=O)N2CCN(C3CCC3)CC2)CN1Cc1ccco1 69743641 CONXQSMXMKPBTL-CQSZACIVSA-N 331.416 1.325 0 40 EDAB Cc1nn(CC(C)C)c(N(C)C)c1CNC[C@@H]1CCS(=O)(=O)C1 69709856 WWVXASCYWGQAJX-AWEZNQCLSA-N 342.509 1.438 0 40 EDAB CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)nn(C)c1C 69705798 KQIPPAPUIRPDCB-ZDUSSCGKSA-N 342.465 1.058 0 40 EDAB CCN1CC[C@@H](N(C)C(=O)Cn2cc(Br)ccc2=O)C1 69778670 KWUNRPWWUHEBJC-GFCCVEGCSA-N 342.237 1.163 0 40 EDAB CN1CCN([C@@H](C(=O)NCc2cnn(C)c2)c2ccccc2)CC1 69807812 XHSHWHASFLTGML-QGZVFWFLSA-N 327.432 1.025 0 40 EDAB CN(C)C(=O)c1ccccc1NS(=O)(=O)N1CCCCCC1 69844916 CHRIPRJVFDCNOB-UHFFFAOYSA-N 325.434 1.921 0 40 EDAB CC[C@H]1CN(C(=O)CSc2ccc(S(C)(=O)=O)cc2)CCO1 69893273 SDLCUMFQWICINO-LBPRGKRZSA-N 343.470 1.820 0 40 EDAB CN1CCO[C@H](CNC[C@H](O)c2ccc(Br)cc2)C1 72254038 LCCRUAIGTQBCRT-KGLIPLIRSA-N 329.238 1.403 0 40 EDAB Cn1c(C(=O)NCC2(C(N)=O)CCOCC2)ccc1-c1ccccc1 72297119 JZFZRQMJNTWJOG-UHFFFAOYSA-N 341.411 1.704 0 40 EDAB COCc1ccccc1C(=O)N1CCCN(c2cccnn2)CC1 69946736 CXDFIOGGOFCQQR-UHFFFAOYSA-N 326.400 1.976 0 40 EDAB O=C(CN[C@@H]1CCCN(c2cccnn2)C1)NC(C1CC1)C1CC1 69902157 MNPYHSWBBGKMRJ-OAHLLOKOSA-N 329.448 1.340 0 40 EDAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc2c(c1)OCCO2 8710686 RKGTVWOKNZIKNB-QMMMGPOBSA-N 347.400 1.532 0 40 EDAB C[C@@H](Sc1nnnn1C1CCCC1)c1nc(N)nc(N(C)C)n1 8718475 HYYGAHOCPOPOBT-MRVPVSSYSA-N 335.441 1.475 0 40 EDAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 67488587 RVPWABKRKXIZEB-QMMMGPOBSA-N 345.804 1.552 0 40 EDAB CC(C)[C@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cnn(C)c1 93022029 AAOUCZJAQNEEOS-INIZCTEOSA-N 337.445 1.628 0 40 EDAB Cn1cc(C[C@H]2CCN(C(=O)NCCOc3cccnc3)C2)cn1 84318194 CQNQPBURUIFEOG-CQSZACIVSA-N 329.404 1.468 0 40 EDAB C[C@H](C(N)=O)N1CCN(Cc2cn(C)nc2C2CCCCC2)CC1 97372978 UGSXMSLBJVFLFY-CQSZACIVSA-N 333.480 1.459 0 40 EDAB C[C@H](NCC(=O)NCc1cccnc1)c1ccc2c(c1)CCC(=O)N2 95984496 HVOANILAORITBR-ZDUSSCGKSA-N 338.411 1.933 0 40 EDAB Cc1noc(C)c1CS(=O)(=O)C[C@H](O)COc1ccccc1 95954932 MMRSJXHKVXLKFB-CYBMUJFWSA-N 325.386 1.646 0 40 EDAB O=C1CSc2ccc(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)cc2N1 95457936 HMDRMUVLXQNDBM-SJKOYZFVSA-N 348.424 1.799 0 40 EDAB CC(C)CCC[C@@H](C)NC(=O)CN1C(=O)N[C@]2(CCOC2)C1=O 95439405 BPDHLIJTQMSBAS-WBMJQRKESA-N 325.409 1.028 0 40 EDAB Cc1cc2ncn(C[C@@H](O)Cn3cnc([S@@](C)=O)n3)c2cc1C 95438960 TUJSOYVOFIVIOB-SPSFWMDKSA-N 333.417 1.043 0 40 EDAB CC(C)c1nccn1CCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1 74034367 CHIBLMOFVKOJTH-CABCVRRESA-N 332.448 1.723 0 40 EDAB CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)C(=O)c1cc2nc[nH]c2cc1F 1553983446 WOWMQTYMCDYOOH-YMTOWFKASA-N 344.350 1.465 0 40 EDAB COC(=O)c1ccc(C(=O)N2CCN(c3ccccn3)C(=O)C2)cc1 1565523292 KZSNYXIATDKUCX-UHFFFAOYSA-N 339.351 1.357 0 40 EDAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2ccccc2[nH]c1=O 71195169 HILSTRLZGYNLKJ-CQSZACIVSA-N 327.340 1.719 0 40 EDAB CCS(=O)(=O)N1CCC(CN=c2cc[nH]c3ccncc23)CC1 566764980 UOFSPIWNDSDTDM-UHFFFAOYSA-N 334.445 1.525 0 40 EDAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@H]2CC=CC[C@H]2C1 74051871 MGTSORFTGXYPDN-IXDOHACOSA-N 348.491 1.537 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@@]1(COC)C(N)=S 218089627 IHCOUJQVSNYTIG-UMVBOHGHSA-N 343.470 1.515 0 40 EDAB COc1ccc([C@H]2[C@@H](C(=O)Nc3cnn(C)c3)CCC(=O)N2C)cc1 72241985 SVAJJFKMYXHMBO-RDJZCZTQSA-N 342.399 1.977 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 36674512 XXGYRZOKAHQAEH-OCCSQVGLSA-N 346.383 1.106 0 40 EDAB CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225778177 DIBUXYZWWQWZNG-UHFFFAOYSA-N 326.403 1.479 0 40 EDAB Cc1ccccc1-c1noc(CCC(=O)N2CCC(C(N)=O)CC2)n1 225816444 NLWYASSPVWIBIH-UHFFFAOYSA-N 342.399 1.702 0 40 EDAB O=C([C@@H]1CCc2[nH]cnc2C1)N1CCN(CCc2ccccc2)CC1 225510536 UAZJFEWQIGJQHE-QGZVFWFLSA-N 338.455 1.902 0 40 EDAB O=C1Nc2ccccc2CC[C@H]1N1CCC[C@H](CN2CCOCC2)C1 192021110 FGIWAMRKCPFTNX-VQIMIIECSA-N 343.471 1.984 0 40 EDAB CCNC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(C)cc2)nc1 223385291 FQQYTFGTTVZKOC-UHFFFAOYSA-N 348.428 1.355 0 40 EDAB O[C@@H]1C[C@@H](CNC2CCC3(CC2)OCCO3)N(Cc2ccccc2)C1 195565192 DQBQLMYMPUFTRU-RBUKOAKNSA-N 346.471 1.897 0 40 EDAB O=C(Cn1cc(COc2ccc(F)cc2)nn1)NCc1nccs1 227161384 YIWNYHYLSAYCBN-UHFFFAOYSA-N 347.375 1.769 0 40 EDAB CCS(=O)(=O)N1CCC2(CC[C@H]2NC(=O)c2ccn(C)c2)CC1 96051735 HRKBKNYVUTZVSV-CQSZACIVSA-N 339.461 1.349 0 40 EDAB Cc1cc(NCc2ccc(CN3CCS(=O)CC3)cc2)nc(C)n1 585092188 IRHZKQHGSIVESK-UHFFFAOYSA-N 344.484 2.270 0 40 EDAB Cc1ccc([C@H](C)N[C@H]2CCCN(CCN3CCOCC3)C2=O)cc1 97237273 DBRRGUVVYRRGRO-HKUYNNGSSA-N 345.487 1.969 0 40 EDAB O=C(CNC(=O)c1c(F)cccc1Cl)N[C@@H]1CCCC[C@H]1CO 97234546 JBBHBUNEJFPCDO-GXFFZTMASA-N 342.798 1.876 0 40 EDAB C[C@](NC(=O)Cn1cccn1)(C(N)=O)c1cccc(C(F)(F)F)c1 96454570 CZCLCASAMMLNSG-CQSZACIVSA-N 340.305 1.419 0 40 EDAB CCn1c(C)nnc1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 583621460 NXWUXTAKNQHDNX-UONOGXRCSA-N 347.467 1.699 0 40 EDAB Cn1cc(CN2CCO[C@@]3(CCCN(c4ncccc4F)C3)C2)cn1 96226397 QHNNAOLRGBVUPE-SFHVURJKSA-N 345.422 1.826 0 40 EDAB O=C(Cc1ccccn1)NC[C@H]1OCCc2cn(CC3CC3)nc21 96044366 ZOQWGTIAXTXSDT-MRXNPFEDSA-N 326.400 1.661 0 40 EDAB Cn1nnc2c1CCN(C(=O)C1CCC1)[C@@H]2COCCN1CCCC1 96045313 RMKAOIVLEVSRPZ-MRXNPFEDSA-N 347.463 1.153 0 40 EDAB C[C@@H](c1ccsc1)N1CCN(C(=O)N[C@H](C)Cn2cncn2)CC1 96503145 LEBKHHIDAHUAIG-KGLIPLIRSA-N 348.476 1.817 0 40 EDAB O=C(c1ccncc1)N1CCN(C[C@H](O)c2ccccc2F)CC1 93255653 QIEPZUAWMAXYKW-KRWDZBQOSA-N 329.375 1.712 0 40 EDAB O=C(CN[C@@H](c1cccc(F)c1F)C(F)(F)F)N1CCNC1=O 96502167 RLOLSDODGGPMMQ-NSHDSACASA-N 337.248 1.710 0 40 EDAB Cn1cc(N2CC[C@]3(CCCN(Cc4cccnc4)C3)C2=O)cn1 96224630 ULGWZYRDBJIIEE-SFHVURJKSA-N 325.416 1.834 0 40 EDAB O=C(O)[C@H]1CN(S(=O)(=O)Cc2c(F)cccc2Cl)CCO1 584216484 RVRCHYQZBMXJKD-LLVKDONJSA-N 337.756 1.094 0 40 EDAB CN1CCN(C)[C@H](CNC(=O)c2ccc(F)c(COCC3CC3)c2)C1 96431006 MIPQVNINMJUONF-QGZVFWFLSA-N 349.450 1.728 0 40 EDAB Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)NCCO 96037606 FHYJSRYHAHQPDS-UHFFFAOYSA-N 337.383 1.948 0 40 EDAB O=C1[C@H](N2CCN(C[C@H]3CCCO3)CC2)CCCN1c1ccccc1 96406952 YADQGQZDKGGLND-RTBURBONSA-N 343.471 1.979 0 40 EDAB O=C(c1ccc[nH]1)N1CC[C@@H]2OCCN(CCN3CCCC3)[C@H]2CC1 96249362 FJAPJJJILUHESI-ROUUACIJSA-N 346.475 1.416 0 40 EDAB COc1ccc2nc(SCC(=O)N=[S@](C)(=O)N(C)C)[nH]c2c1 585118786 BPMKNJSMZSSTAN-QFIPXVFZSA-N 342.446 1.765 0 40 EDAB Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCc2ccccc2[C@H]1C(=O)O 585134668 FOUGYCSLIITTMK-FMKPAKJESA-N 325.368 1.734 0 40 EDAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3ncc[nH]3)CC[C@H]21 257240081 HRZBVRSDGLIAEU-BRWVUGGUSA-N 338.411 1.886 0 40 EDAB C[C@@H](c1nc2ccccc2s1)N1CCN(CC(=O)NC(N)=O)CC1 26887685 AAJUTAFABQBWNJ-NSHDSACASA-N 347.444 1.170 0 40 EDAB COc1nccn2c(CNC(=O)c3ccc4nsnc4c3)nnc12 253471266 BRGOWHNNLZCXNX-UHFFFAOYSA-N 341.356 1.068 0 40 EDAB CC(=O)N[C@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)CC[C@@H]1O 257211026 BXFSRAXIIDSECH-ROUUACIJSA-N 330.428 1.667 0 40 EDAB O=C(c1cccc(-n2cnnc2)c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257227518 FPSJWHLQKKFXMY-RDJZCZTQSA-N 328.372 1.023 0 40 EDAB O=C(NCC[C@]1(O)CCCOC1)[C@@H]1CCN(C(=O)c2ccccc2)C1 628009013 FFWRAKQBOKSLEY-VQIMIIECSA-N 346.427 1.197 0 40 EDAB COc1cc([C@@H](C)NC(=O)C2CCOCC2)ccc1S(C)(=O)=O 1615615690 RJFJXEHGNXDLRR-LLVKDONJSA-N 341.429 1.703 0 40 EDAB COC(=O)[C@H]1C[C@@H]2[C@@H](N[C@@H]3CCCC[C@@H]3N3CCOCC3)C[C@H]2C1 1616038896 UIXZDPSNQZCFTE-ZXXIGWHRSA-N 336.476 1.807 0 40 EDAB COc1cc2nc(NC(=O)c3ccc(C(=O)O)nc3)[nH]c2cc1OC 602047838 UDKUDCPGKAREAI-UHFFFAOYSA-N 342.311 1.926 0 40 EDAB Cn1nccc1/C=C/C(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1 585290524 XRVDMUCGMIUZPK-UCFODXPJSA-N 341.411 1.266 0 40 EDAB CN1CCN(C(=O)NCc2nnc3ccccn23)Cc2ccccc21 69259689 OUOVFCSEOLSOHK-UHFFFAOYSA-N 336.399 1.891 0 40 EDAB CCOCCO[C@@H](C)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 69705871 IREYVULAXVHNOK-KBPBESRZSA-N 344.452 1.944 0 40 EDAB COc1ccc2nc(C)c(C(=O)N3CCN(C(C)=O)CC3)cc2c1 71794337 ULMFKXKKYGLSOO-UHFFFAOYSA-N 327.384 1.856 0 40 EDAB O=C(NCCn1ccnc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 43946268 RFIGQUVVXWACCG-INIZCTEOSA-N 326.400 1.091 0 40 EDAB CC(=O)N1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1 36412991 APYVTZPWIFGNBR-UHFFFAOYSA-N 330.432 1.389 0 40 EDAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN2C(=O)NC[C@H]2C1 75106494 FBWMPGMOYNMMBW-NSHDSACASA-N 328.294 1.947 0 40 EDAB COc1cc2c(nn1)CCN(CC(=O)N1CCCc3ccccc31)C2 83925420 CFXMSXLIIJLQEG-UHFFFAOYSA-N 338.411 1.823 0 40 EDAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)C1 41128876 YCOHGWDMPQOYHK-ZXCPCRMDSA-N 328.290 1.932 0 40 EDAB Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(CC(N)=O)C1 5001420 JJSHNFAVGNHMBO-AWEZNQCLSA-N 345.472 1.772 0 40 EDAB COc1ccc([C@@H](O)[C@H]2OC(=O)c3c2cccc(=O)c3O)cc1OC 5640358 ZITKCDKHIPHJKU-WBVHZDCISA-N 344.319 1.715 0 40 EDAB CCCCN(CC)C(=O)C(=O)[C@H]1C(=O)Nc2ccccc2[S@]1=O 5783490 KEQJNJMTNXUPGE-PSLXWICFSA-N 336.413 1.333 0 40 EDAB COc1ccccc1CN1CC[C@@H](NCCCn2ccnc2)[C@H](O)C1 12143623 VSCCBVGULNXYJL-QZTJIDSGSA-N 344.459 1.507 0 40 EDAB CS(=O)(=O)NC1CCN(Cc2cc(-c3ccccc3)no2)CC1 12855175 RXNYBWKRJDIBIF-UHFFFAOYSA-N 335.429 1.855 0 40 EDAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccncc3)ccc21 13580431 AIVIAXDGVLAGNZ-UHFFFAOYSA-N 345.424 1.724 0 40 EDAB NC(=O)c1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1 19162660 WCHBJDOHDAYGCE-UHFFFAOYSA-N 331.397 1.996 0 40 EDAB CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 19581873 IQHUNDHZBMQYAA-WBVHZDCISA-N 344.459 1.373 0 40 EDAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3ccco3)n2N)C1 14084659 KUDBKORBMDQIBC-PHIMTYICSA-N 335.433 1.849 0 40 EDAB CC(C)CN(CC(N)=O)CC(=O)NC1CCC(C(F)(F)F)CC1 26128402 MRYUOLJLRLQAEE-UHFFFAOYSA-N 337.386 1.667 0 40 EDAB O=S1(=O)CC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 35355197 GJMTVQFQEHFJGU-SECBINFHSA-N 325.358 1.282 0 40 EDAB CCOc1ccc(S(=O)(=O)N[C@@H](Cn2nccn2)C(C)C)cc1 238852713 JPUKMFJTVSZAFJ-HNNXBMFYSA-N 338.433 1.680 0 40 EDAB O=C(NC[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O)c1ncc[nH]1 2037958863 MBTMVUPDFFTBTB-KCPJHIHWSA-N 333.363 1.887 0 40 EDAB COc1ccc(C(=O)N2CC3(C[C@H](NC4CCC4)CS3)C2)cn1 2056223361 HRBBAIIKEQZBDG-AWEZNQCLSA-N 333.457 1.932 0 40 EDAB Cn1ccc(CC(=O)N2CC[C@H]3CN(Cc4cccnc4)C[C@H]32)n1 1075782874 XAURBYXYUQUOGF-DOTOQJQBSA-N 325.416 1.091 0 40 EDAB CS(=O)(=O)CCN1C[C@]2(CCCN(CC3CCCCC3)C2)C1=O 1615101360 OQARZZZWLYQCMG-QGZVFWFLSA-N 342.505 1.536 0 40 EDAB CC(C)C(=O)N[C@@H]1COC2(CCN(C(=O)c3csnn3)CC2)C1 1565544671 QEZAASZFVGKTOG-NSHDSACASA-N 338.433 1.074 0 40 EDAB O=S(=O)(c1c(F)cccc1F)N1CCCN([C@@H]2CCOC2)CC1 1565523398 MXFRBZJLGSWIJB-GFCCVEGCSA-N 346.399 1.450 0 40 EDAB CCS(=O)(=O)c1ccc(-c2ccc(NS(C)(=O)=O)cc2)nn1 7428227 YEVCFTPSWQURRB-UHFFFAOYSA-N 341.414 1.309 0 40 EDAB CN(C)CCN1CCO[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@@H]21 2055747764 VFARVJJXPVHEIO-DZEZYYDTSA-N 335.473 1.235 0 40 EDAB O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(C(=O)N2CCCC2)C1 2055745855 IFXSXJUIHSEZCD-NUEKZKHPSA-N 344.415 1.715 0 40 EDAB O=S(=O)(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)C1CC1 206847122 HZWIHIFDBGWJDT-GFCCVEGCSA-N 335.385 1.627 0 40 EDAB CN(C)C(=O)N1CCC(CNC(=O)COc2ccccc2F)CC1 585148430 GCXDTFNYMVDQGJ-UHFFFAOYSA-N 337.395 1.714 0 40 EDAB CC(=O)NCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 27671939 UCGLBZAANQAOAR-UHFFFAOYSA-N 330.363 1.366 0 40 EDAB Cn1c(=O)n(C)c2cc(NC(=O)NCCCn3ccnc3)ccc21 50062929 HJJFLVSHFARKDV-UHFFFAOYSA-N 328.376 1.285 0 40 EDAB CCc1nnsc1C(=O)N1CCN(CCOc2ccccc2)CC1 40464661 KBPJABOPTFWJMR-UHFFFAOYSA-N 346.456 1.937 0 40 EDAB Cc1cccc(-n2ncc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2C)c1 40493839 KKEFSLMNUMBRRO-CYBMUJFWSA-N 333.413 1.406 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)c2c(c1)OCCO2 31611974 FXKKVOGOLLALCX-SECBINFHSA-N 331.777 1.028 0 40 EDAB CC1(C)[C@]2(C)CC[C@]1(C(=O)O[C@@H]1CCCN/C1=C/[N+](=O)[O-])OC2=O 100939138 UUETUZDEZSKSSA-PYBZEXHVSA-N 338.360 1.522 0 40 EDAB CCCOc1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)cc1 40527171 VFXBRUGRKXUBLY-CQSZACIVSA-N 326.418 1.422 0 40 EDAB CCOc1ccc(S(=O)(=O)N(CC(N)=O)Cc2ccco2)cc1 21028687 NGYZBOJOFFLOLR-UHFFFAOYSA-N 338.385 1.355 0 40 EDAB CSCCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 21134036 ZBNVHHPYTUZXKR-UHFFFAOYSA-N 335.473 1.200 0 40 EDAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CC(N)=O)CC1 32902732 IAJYFXLLMYBGCH-OAHLLOKOSA-N 339.823 1.047 0 40 EDAB O=C1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)c2ccccc2N1 22019749 OZMBCGMBZDQPIC-CQSZACIVSA-N 337.383 1.251 0 40 EDAB O=C1CCCN1c1cccc(OCC(=O)N2CCO[C@@H]3CCC[C@@H]32)c1 53379957 ZRSFWKQBWHYSSJ-DLBZAZTESA-N 344.411 1.972 0 40 EDAB C[C@@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)Cn1cccn1 53545013 VFSBVQLZGCMTSG-LSDHHAIUSA-N 328.420 1.342 0 40 EDAB C[C@@]1(NC(=O)CCc2ccc3c(c2)OCO3)CCS(=O)(=O)C1 22741216 WXFVPBHQHMHTMQ-OAHLLOKOSA-N 325.386 1.041 0 40 EDAB NC(=O)C1CCN(C(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 42948341 MYCBMMMINDYDIW-CQSZACIVSA-N 330.432 1.420 0 40 EDAB CC[C@H]1Oc2ccccc2N(CC(=O)NCc2cccnc2)C1=O 218930 KZBTXCWFEJYEIJ-OAHLLOKOSA-N 325.368 1.902 0 40 EDAB CC1CCC(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 24622336 RARQGQLUAZVQNH-UHFFFAOYSA-N 343.435 1.431 0 40 EDAB CCCn1nnnc1NC(=S)NC(=O)COc1ccc(CC)cc1 569730 HXTKSMDRSXYBPO-UHFFFAOYSA-N 348.432 1.538 0 40 EDAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CCN(CC(N)=O)CC1 43121678 ZLFRZZDZDSPKBE-NSHDSACASA-N 339.823 1.173 0 40 EDAB Cc1c(C(=O)OCC(N)=O)cnn1-c1cccc(C(F)(F)F)c1 55250008 SYAQAIHYQICWFB-UHFFFAOYSA-N 327.262 1.842 0 40 EDAB Cn1cc(CCCNS(=O)(=O)N2CCC[C@@H]2c2ccco2)cn1 78880784 PYCIEBAJZOPHAT-CQSZACIVSA-N 338.433 1.617 0 40 EDAB CCN(C(=O)NCc1ccc(OC)nc1)[C@H](C)CS(C)(=O)=O 79036033 UOVVRWUCJXRMHP-LLVKDONJSA-N 329.422 1.055 0 40 EDAB CCN1C[C@H](C(=O)NCc2cccc(N3CCCCC3=O)c2)CC1=O 55662592 SIXQGYTVIZJWRB-OAHLLOKOSA-N 343.427 1.688 0 40 EDAB C[C@H](O)CN1CCN(CCC(=O)NCCc2ccccc2)C[C@@H]1C 106844861 GZVIINYHNMHWSU-IRXDYDNUSA-N 333.476 1.122 0 40 EDAB Cc1ccc2c(c1)C(=O)C(=O)N2CCN1C(=O)c2ccccc2C1=O 2668950 MADSAXZDWMBWRX-UHFFFAOYSA-N 334.331 1.821 0 40 EDAB CCCNC(=O)CNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 25391834 LCZQREXASKHLTA-UHFFFAOYSA-N 344.371 1.104 0 40 EDAB COc1cc(C(=O)N2CCN(c3cnccn3)CC2)cc(OC)c1C 25342632 XZSIZVKYKQSYNP-UHFFFAOYSA-N 342.399 1.765 0 40 EDAB O=C1CC[C@H](C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)CN1 55900929 JQQOUEMAXZTWPD-INIZCTEOSA-N 349.475 1.544 0 40 EDAB COc1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c(OC)c1OC 12598950 DKHBMTXNTLAWBM-OAHLLOKOSA-N 343.401 1.019 0 40 EDAB Cc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)s2)no1 6679422 FBFNGTBSKJNHNR-UHFFFAOYSA-N 329.403 1.856 0 40 EDAB Cc1ccccc1Cn1cnc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)n1 6925098 YNGPNBQFLNJWOZ-NMWPEEMBSA-N 338.367 1.302 0 40 EDAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)OCCO2 6993090 QIBWBEDZSKBBRD-UHFFFAOYSA-N 345.355 1.357 0 40 EDAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)[C@H]1CNC(=O)N1 107579847 YGLPSMAFZJBXKI-XJKSGUPXSA-N 330.432 1.359 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccccc3C)nc2n1 7987268 YJHVODBUTYRNGJ-UHFFFAOYSA-N 339.355 1.845 0 40 EDAB CN(c1ccccc1)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 57089041 QVOSUCHVNCMJKQ-CQSZACIVSA-N 336.457 1.549 0 40 EDAB NC(=O)C1CCN(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 57197436 QHVMRFJAELHYMH-CVEARBPZSA-N 349.406 1.953 0 40 EDAB Cc1cn2nc(N3CCC(C(=O)N4CCOCC4)CC3)sc2n1 26703605 WNCKYVLHABVPIA-UHFFFAOYSA-N 335.433 1.174 0 40 EDAB Cc1nnc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)s1 44376138 ZJSHTSOMZFLZGN-UHFFFAOYSA-N 326.403 1.779 0 40 EDAB CCOc1c(Br)cc(CNc2nn[nH]n2)cc1OC 8253364 WWODOWNOVLNLSN-UHFFFAOYSA-N 328.170 1.982 0 40 EDAB COCC(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(C)=O)CC1 100223281 RYDANPDJSWXPBN-GUTXKFCHSA-N 339.461 1.889 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)CN2CCN(C(=O)C3CC3)CC2)c1 58002828 UXQFGHZSFBZNBZ-KRWDZBQOSA-N 332.444 1.597 0 40 EDAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccncc2)CC1 44704536 IZWBLDCABKMZSA-HNNXBMFYSA-N 330.432 1.240 0 40 EDAB COc1ccc(Cl)cc1NCCC(=O)N1CCC(C(N)=O)CC1 58190779 ZCTMXTPGNUBIQS-UHFFFAOYSA-N 339.823 1.875 0 40 EDAB COC(=O)[C@H]1CN(CC(=O)Nc2cccnc2Cl)CCS1 58158065 RQAGQHKHYFOUDA-SNVBAGLBSA-N 329.809 1.264 0 40 EDAB CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)N[C@@H]1CC 58121253 RYGIGNZMAPNKKD-CQSZACIVSA-N 331.416 1.993 0 40 EDAB CC(C)CN(CC(N)=O)CC(=O)N[C@@H](C)c1ccccc1Cl 44898720 LTWXXPROMSDYHZ-LBPRGKRZSA-N 325.840 1.961 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CCN(C[C@H]2CCCO2)CC1 58224071 UTYDXLXRCHJIAL-OAHLLOKOSA-N 347.415 1.422 0 40 EDAB O[C@H](CN1CCc2ccccc2C1)Cn1nnc(-c2ccccc2)n1 58283521 LFCJOLJHXXBLBM-GOSISDBHSA-N 335.411 1.759 0 40 EDAB COc1cccc(C[C@@H](C(=O)N2CCCCC2)n2nnnc2C)c1 44950606 GRFBFICBUNSLAG-INIZCTEOSA-N 329.404 1.786 0 40 EDAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN([C@H]2CCOC2=O)CC1 44936479 IHPZEDUDUVMZNA-ZFWWWQNUSA-N 342.399 1.731 0 40 EDAB CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(C(C)C)CC2)c1 44909419 CDVOMAQJISDFQJ-UHFFFAOYSA-N 339.461 1.069 0 40 EDAB CN(Cc1ccccn1)C(=O)C1[C@H]2CC[C@H]1CN(C(=O)NC1CC1)C2 104951812 QYGJDTZUALZWFQ-KBPBESRZSA-N 342.443 1.870 0 40 EDAB NC(=O)Cc1csc(NC(=O)c2ccc(Cn3cccn3)cc2)n1 11000390 YOPBHFZOVFXCDY-UHFFFAOYSA-N 341.396 1.668 0 40 EDAB CS(=O)(=O)NC1CC2(CCN(C(=O)c3cccs3)CC2)C1 108534132 KECDHQUCZPVWHP-UHFFFAOYSA-N 328.459 1.682 0 40 EDAB Cc1csc([C@@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C2CC2)n1 89705371 VYZWHPCUQIHFFQ-RISCZKNCSA-N 334.445 1.965 0 40 EDAB Cc1cnc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)s1 29279742 RFKCYTKDTSSHAK-LBPRGKRZSA-N 347.375 1.649 0 40 EDAB COc1c(CNC2CCN(Cc3ccncc3)CC2)c(C)nn1C 58393360 MNGZIVYAMLFDEM-UHFFFAOYSA-N 329.448 1.886 0 40 EDAB Cc1cc([C@]2(C)NC(=O)N(Cc3cccc(C(N)=O)c3)C2=O)c(C)o1 60346396 YTFGOHPBNIQKFR-SFHVURJKSA-N 341.367 1.963 0 40 EDAB CC[C@@H](CNC(=O)c1ccc(O)nn1)N1CCc2ccccc2C1 29908060 QOEWFZYMGQVXMJ-HNNXBMFYSA-N 326.400 1.749 0 40 EDAB C[C@@H](NC(=O)N1CCCN(Cc2cccs2)CC1)c1nncn1C 46961646 MKYNKTDPCGUFGJ-CYBMUJFWSA-N 348.476 1.855 0 40 EDAB CC1CCN(CCNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 46956492 AXWOJNQGOFRQON-HNNXBMFYSA-N 333.432 1.476 0 40 EDAB Cn1ncc2c(N3CCN(CCOc4ccccc4)CC3)ncnc21 12486181 IEZLQBZRBHAOGD-UHFFFAOYSA-N 338.415 1.564 0 40 EDAB CCOc1ncccc1NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 48201077 OLHJVSJOOCEYDD-CQSZACIVSA-N 348.403 1.335 0 40 EDAB CC(C)CN1CCC(C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 48291029 PMNAVMUNRABGET-UHFFFAOYSA-N 335.492 1.872 0 40 EDAB COCCN(Cc1ccc(-n2cccn2)cc1)Cc1nnc(C)n1C 48249744 IUQLPAFLQVEKIE-UHFFFAOYSA-N 340.431 1.958 0 40 EDAB O=C(NCc1cc[nH]n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 48263563 KICALYIXHJRKSK-UHFFFAOYSA-N 343.387 1.166 0 40 EDAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)[C@@H]3CCCCN3C2=O)c1 48361504 XQCBQFGHSBSMDN-CABCVRRESA-N 332.400 1.860 0 40 EDAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@H](NC(C)=O)C1 48354540 DMANJWHSLIHSFA-GUTXKFCHSA-N 335.452 1.782 0 40 EDAB O=C(CC[C@H]1NC(=O)NC1=O)NCC1(c2ccc(F)cc2)CCCC1 48350602 DMILIEUVMOEAQR-CQSZACIVSA-N 347.390 1.742 0 40 EDAB COc1ccc([C@@H]2c3c(C)nnc(O)c3Nc3nnnn32)c(OC)c1 10298522 CARGZQVRZJCWCH-CYBMUJFWSA-N 341.331 1.189 0 40 EDAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cncc(Br)c1 49099147 UWSWJHXZXYQVBQ-IUCAKERBSA-N 326.194 1.570 0 40 EDAB CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)cnc2N)C1 95433875 VFHPHPIVLHMVNN-ZYHUDNBSSA-N 344.868 1.422 0 40 EDAB CC(C)CC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13727544 ZYCPGPBDCRFKRB-UHFFFAOYSA-N 325.372 1.771 0 40 EDAB CNC(=O)CN1CCC(NC(=O)NC2(c3ccccc3)CCC2)CC1 66145156 SPSCPSCYAALZQT-UHFFFAOYSA-N 344.459 1.575 0 40 EDAB CN(C)CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 4763212 BQWKYYPRNBIALR-DTQAZKPQSA-N 327.384 1.728 0 40 EDAB CCCCN1C(=O)C(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 4789197 XPBFAOAPSPLYPF-UHFFFAOYSA-N 343.383 1.557 0 40 EDAB Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 6822647 PRUUSJMOKKBEDJ-UHFFFAOYSA-N 345.424 1.664 0 40 EDAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccccc1C(N)=O 6815237 RHCNPZGYRWJPFD-UHFFFAOYSA-N 343.408 1.986 0 40 EDAB CN(CCc1ccccn1)C(=O)CNC(=O)N(C)Cc1ccncc1 71793574 ZEGBTHRBGQJKCS-UHFFFAOYSA-N 341.415 1.319 0 40 EDAB O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)CC1)NC1CC1 67132421 LBQLZKJZDFRMFF-DLBZAZTESA-N 345.418 1.352 0 40 EDAB Cc1cc(C(=O)N[C@H]2CCN(C(N)=O)C2)nn1-c1ccccc1Cl 96494420 QTWYDMFOQYHDLI-NSHDSACASA-N 347.806 1.717 0 40 EDAB CCCn1nnnc1CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 7185398 VYOBWIDHVMJQBQ-KRWDZBQOSA-N 340.387 1.367 0 40 EDAB CN1CCCC[C@H]1C(=O)NCCCS(=O)(=O)Cc1ccccc1 71897869 DPFGNDINUZOJFD-INIZCTEOSA-N 338.473 1.592 0 40 EDAB COC(=O)C[C@H](C)NC(=O)c1nc(N2CCCC2)ncc1Cl 71853838 JQZRHDKPOGEULE-VIFPVBQESA-N 326.784 1.412 0 40 EDAB COc1ccccc1[C@@H](C)NC(=O)CN1CC(n2cc(C)cn2)C1 71876761 OZEIEPOSJMGDSJ-CQSZACIVSA-N 328.416 1.934 0 40 EDAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1S(C)(=O)=O 68530021 UGIRKJSZECYXPZ-QWRGUYRKSA-N 341.433 1.515 0 40 EDAB CC(C)OCCCNC(=O)NC(=O)Cn1c(=O)cnc2ccccc21 7983050 GSOSQSSNVGLCLM-UHFFFAOYSA-N 346.387 1.037 0 40 EDAB CCc1n[nH]c([C@H]2CN(C(=O)[C@H]3COc4ccccc43)CCO2)n1 83829820 YWVYVYIRWMXMKT-GXTWGEPZSA-N 328.372 1.443 0 40 EDAB O=C1CC[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)CN1 71909474 MDGIXSUDZMFXPL-QMMMGPOBSA-N 340.298 1.401 0 40 EDAB COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1n[nH]c2ccccc12 8153186 MNPHMIOFGUCWNO-CYBMUJFWSA-N 347.371 1.424 0 40 EDAB CCOCCO[C@@H](C)C(=O)NC[C@H](C(=O)OC)c1cccc(C)c1 69586013 XAQRESBOVGBHEI-HOCLYGCPSA-N 337.416 1.809 0 40 EDAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2cccc(OCC(N)=O)c2)n1 69513884 UENWFABMHICANE-INIZCTEOSA-N 343.431 1.424 0 40 EDAB CCOc1cccc(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)c1 69513219 BAMOGXMSFONZIA-UHFFFAOYSA-N 341.367 1.553 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(Cn3cccc3)cc2)CC1 69874974 RGQOMLDBQLYHOP-INIZCTEOSA-N 327.428 1.675 0 40 EDAB CCOC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)cc2)n[nH]1 8611129 UJUJCCRMDZSTDP-UHFFFAOYSA-N 339.373 1.074 0 40 EDAB O=C(c1ccco1)N1CCN(C(=O)c2[nH]nc3c2CCCC3)CC1 8996406 AHYLDHWUCTYIFO-UHFFFAOYSA-N 328.372 1.480 0 40 EDAB COc1cc2nc(CNCCn3cc(C)cn3)[nH]c(=O)c2cc1OC 72253053 TWRFGJOTHKJMIX-UHFFFAOYSA-N 343.387 1.235 0 40 EDAB O=C([C@H]1CSc2ccccc2O1)N1CCC[C@H](n2cncn2)C1 72235021 IACGAMBNBNWXHJ-GXTWGEPZSA-N 330.413 1.995 0 40 EDAB CCN(C(=O)NCCc1cccc(F)c1F)[C@@H](C)CS(C)(=O)=O 72281530 ZNMFDPOMNLPMAC-NSHDSACASA-N 348.415 1.972 0 40 EDAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1C 72294076 LAQKHVSEEFLDCA-RDJZCZTQSA-N 326.400 1.564 0 40 EDAB O=C(N[C@@H]1CCc2nccn2C1)c1cnnn1-c1ccccc1Cl 97197360 FJCSEAZPOHRQTN-LLVKDONJSA-N 342.790 1.862 0 40 EDAB Cc1sc(NC(=O)C[C@H]2NC(=O)NC2=O)nc1-c1ccccc1 97597497 KAFPNYSPHAZBHG-SNVBAGLBSA-N 330.369 1.655 0 40 EDAB Cn1nccc1CNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 76041382 ICOXTKLQRLKONU-IBGZPJMESA-N 340.427 1.979 0 40 EDAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N(C)C)=C2C 20063921 SSTFDOVTZSXIAX-UHFFFAOYSA-N 340.401 1.303 0 40 EDAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccncc2)CC1 20522868 ZXADADVNNFWAEA-UHFFFAOYSA-N 331.441 1.729 0 40 EDAB CCC1(N)CCN(C(=O)NC[C@@]23CNC[C@@]2(C(F)(F)F)C3)CC1 1551540578 KBQNTMRMRQROBC-OCCSQVGLSA-N 334.386 1.441 0 40 EDAB NC(=O)c1ccccc1NS(=O)(=O)CCOc1ccc(F)cc1 70637795 CCFGCAQHANPDCT-UHFFFAOYSA-N 338.360 1.745 0 40 EDAB COc1ccc(Br)c(C(=O)NCCN=S(C)(C)=O)c1 521394292 BAWMTQNCNSFIJM-UHFFFAOYSA-N 349.250 1.915 0 40 EDAB CC[C@@H](C)Nc1ccc(S(=O)(=O)NCCCOC)cc1C(=O)O 217600010 NGYCORXZFKSVNH-LLVKDONJSA-N 344.433 1.910 0 40 EDAB Cc1nn(CC(=O)N[C@H](C)C(=O)N2CCCCC2)c(C)c1Cl 72249921 ABSXMUYOXYDPCG-LLVKDONJSA-N 326.828 1.671 0 40 EDAB CCOC(=O)c1ccc(-c2ccc(CNCCNCCO)o2)cc1 38234391 GIRPVXRQPQDROF-UHFFFAOYSA-N 332.400 1.795 0 40 EDAB O=C(c1cccs1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70641048 WCEVIRKWIFJYJD-UHFFFAOYSA-N 340.412 1.686 0 40 EDAB CC(C)(C)NCCNC(=O)C(=O)Nc1ccccc1Br 127841504 HLZZSNGXOXVCQM-UHFFFAOYSA-N 342.237 1.892 0 40 EDAB COC(=O)c1ccc(Cn2c(Cn3ccnc3)ccc2C(=O)O)o1 78404709 NPSFXDYJCBZMER-UHFFFAOYSA-N 329.312 1.859 0 40 EDAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C(=O)O)cc1 218616318 YTWWPAWCLSQKMQ-SOLBZPMBSA-N 345.420 1.971 0 40 EDAB CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 78610907 DBGPPAUIXXXVDW-CZUORRHYSA-N 337.370 1.671 0 40 EDAB CN(Cc1cnnn1C)[C@H](C(N)=O)c1cccc(Br)c1 136968056 BLVJNEPNXRUSNX-LBPRGKRZSA-N 338.209 1.236 0 40 EDAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)c1 40465638 NHFPPAKNBUBCKQ-AWEZNQCLSA-N 332.400 1.908 0 40 EDAB O=C(CN1CC(c2nc(-c3cccnc3)no2)C1)NCc1ccccc1 49483665 YATBEOBKWWVIOK-UHFFFAOYSA-N 349.394 1.847 0 40 EDAB Cc1cc(C)n([C@@H](C)C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)n1 73118917 HPUQTCOJUDQDBD-KBPBESRZSA-N 335.477 1.696 0 40 EDAB CN1CCN(c2ncc(NC(=O)c3c(F)cccc3F)cn2)CC1 224252608 TXDMKFMGPXEPAT-UHFFFAOYSA-N 333.342 1.759 0 40 EDAB COc1nccnc1O[C@@H]1CCN(C(=O)NCCc2ccccc2)C1 225389281 WXHVVVITCOQWFV-OAHLLOKOSA-N 342.399 1.891 0 40 EDAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc[nH]1 223677501 QHGIBMZSJXKMCC-LSDHHAIUSA-N 330.413 1.945 0 40 EDAB COC[C@@H]1CN(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2F)CCO1 96440267 QDVPJOTVDOJNIF-LNSITVRQSA-N 326.343 1.878 0 40 EDAB O=C(N1CCCC1)N1CC[C@]2(CCN(Cc3ccccn3)C2=O)C1 96159502 PBVRXNCDJURSLJ-GOSISDBHSA-N 328.416 1.722 0 40 EDAB C[C@H](CNCc1ccc2c(c1)n(C)c(=O)n2C)Oc1ccccn1 95472054 UDXRDKHCRUHVEI-CYBMUJFWSA-N 326.400 1.829 0 40 EDAB CCc1nncn1CCNC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 95437625 CORKDOVYGXBFCF-CQSZACIVSA-N 333.392 1.525 0 40 EDAB O=S(=O)(c1cccnc1)N1C[C@@H](OCC2CC2)[C@H]2OCCC[C@H]21 96042395 PDHLUAUQMKSBQC-OAGGEKHMSA-N 338.429 1.429 0 40 EDAB O=C(Nc1ccc(F)cc1)N1CC[C@@H]2CNS(=O)(=O)[C@@H]2CC1 96263655 SLSBRWARXPLCNA-ZWNOBZJWSA-N 327.381 1.371 0 40 EDAB CN(C)c1cnnc(N2CCN(C(=O)c3cccc(F)c3)CC2)c1 96121044 XBAPTLSKJIHHGO-UHFFFAOYSA-N 329.379 1.644 0 40 EDAB Cn1cccc1C(=O)N1CCc2ncc(CN3CCCC3)n2CC1 96196861 NXXWBBAINDMMNT-UHFFFAOYSA-N 327.432 1.516 0 40 EDAB CCOC(=O)c1sc(NC(=O)[C@@H]2CCOC2)c(C(=O)O)c1C 1591425396 DCZHRXCREWCIRS-MRVPVSSYSA-N 327.358 1.906 0 40 EDAB COc1ccc(OCc2nc(N3CCOCC3)ncc2C(=O)O)cc1 96182422 XDUAUUZDMSEMFX-UHFFFAOYSA-N 345.355 1.599 0 40 EDAB COc1ccccc1-n1ccnc(N2CCC[C@@H](C(=O)O)C2)c1=O 96530536 GLNYAZBWEXGYKY-GFCCVEGCSA-N 329.356 1.542 0 40 EDAB Cc1nc2ccccc2n(CCCNC(=O)[C@@H]2CCO[C@H]2C)c1=O 96495240 YLQURPZTZOYGGH-UONOGXRCSA-N 329.400 1.636 0 40 EDAB O=S(=O)(c1cccc(F)c1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 583616361 IXVCHBOBIYSUQX-RRFJBIMHSA-N 329.393 1.376 0 40 EDAB Cc1cccc(CN2C[C@H]3CCN(C(=O)c4cnccn4)C[C@H]3C2)n1 96081526 VZNPDHBJNAFWPJ-HZPDHXFCSA-N 337.427 1.774 0 40 EDAB c1coc(CN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)c1 96052350 XOQYEXILRLOIFL-QZTJIDSGSA-N 336.432 1.362 0 40 EDAB COCCN1CC[C@H](NC(=O)NCC2(c3cccc(F)c3)CC2)C1 96417812 KPJZHOGQDMIEHE-INIZCTEOSA-N 335.423 1.877 0 40 EDAB Cc1ccccc1O[C@@H](C)CNC(=O)Cn1nc2ccccn2c1=O 96426061 RJWBNOVRHBVBDT-AWEZNQCLSA-N 340.383 1.388 0 40 EDAB Fc1cnc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)nc1 269442881 BUTMMCIGLMRKOO-UHFFFAOYSA-N 328.273 1.751 0 40 EDAB Cc1ccc2ncccc2c1S(=O)(=O)N[C@H]1C(=O)NCC1(C)C 585094228 SLHMBGPCDLQPFW-AWEZNQCLSA-N 333.413 1.346 0 40 EDAB Cn1/c(=N\C(=O)c2cnc3ccccn3c2=O)sc2ccccc21 585087416 MPTHJYGHHFGDMR-HTXNQAPBSA-N 336.376 1.989 0 40 EDAB COC1(C)CN(c2nc3c(N4CC(C)(OC)C4)ncnc3s2)C1 585092821 PGJPFUVABDSIGH-UHFFFAOYSA-N 335.433 1.537 0 40 EDAB CCO/C=C/[C@](O)(CNC(=O)c1ccc(C(N)=O)cc1)C(F)(F)F 585087790 RGCDACKHGFJUFS-NPQIQWPPSA-N 346.305 1.359 0 40 EDAB CCS(=O)(=O)NC[C@@H]1CN(Cc2ccc(C)o2)Cc2ccnn21 248098324 NBAYPNHLCYIBSV-CQSZACIVSA-N 338.433 1.281 0 40 EDAB CNC(=O)[C@@H]1CN(C(=O)c2cc(OC)ccc2Cl)Cc2ccnn21 247963536 RLWPLKZSLSKXGD-AWEZNQCLSA-N 348.790 1.488 0 40 EDAB CC[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1c(C)nn(C)c1C 245339476 TVUAVICURVDLOK-JYJNAYRXSA-N 349.479 1.650 0 40 EDAB CCCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 242768966 DQTLZGNABYBLDY-UHFFFAOYSA-N 328.390 1.098 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)c3ccnn3C)CC2)C[C@@H](O)C1(C)C 257231752 GIBDKKLSGZHZRP-OAHLLOKOSA-N 348.447 1.034 0 40 EDAB COCC(=O)N1CC2(CCN(Cc3ccccc3)CC2)C[C@]1(C)CO 257209475 BQNIFEBPANOVQF-LJQANCHMSA-N 346.471 1.899 0 40 EDAB CNCC(=O)N1CCC[C@]1(CCCc1cccnc1)C(=O)N(C)C 257323003 WIJIASYIUMCFPH-GOSISDBHSA-N 332.448 1.073 0 40 EDAB C[C@]1(O)CCN(C(=O)COc2cccnc2)C[C@@H]1Oc1ccccc1 257300267 RTRJULDMMXMVIY-HKUYNNGSSA-N 342.395 1.891 0 40 EDAB O=C(c1nccc2ccccc12)N1CC[C@@](O)(CN2CCCC2)C1 257302296 SCJPVXDHJLBKDK-LJQANCHMSA-N 325.412 1.908 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@H](c3[nH]ncc3C)C2)c1C 257315805 VCVLDORQHLCVAX-ZDUSSCGKSA-N 337.449 1.811 0 40 EDAB Cc1csc(C(=O)NC[C@@]2(O)CCN(c3cc(C)ncn3)C2)c1 257335286 YJNBALPCGPEFFW-INIZCTEOSA-N 332.429 1.526 0 40 EDAB Cc1nc(O)cc([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 257250416 JMKMWOMOGMHCAE-MRXNPFEDSA-N 339.399 1.951 0 40 EDAB CC(=O)N1CCN(Cc2ccc(OC(C)C)cc2)C[C@H](C(N)=O)C1 257210611 BVJVFEOYYODDFK-INIZCTEOSA-N 333.432 1.239 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCc1cccnc1-n1ccnc1C 65475487 BYUMLEURXSVMQC-UHFFFAOYSA-N 339.447 1.973 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cn1 270593404 FLHLANBVRZDONO-UHFFFAOYSA-N 337.323 1.144 0 40 EDAB C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCCN(c3ncccn3)C2)CCO1 273096207 DHBQRDUROALSLO-OAGGEKHMSA-N 347.463 1.950 0 40 EDAB CCN1C(=O)Cc2cc(NS(=O)(=O)c3c(C)nn(C)c3C)ccc21 96025637 GBXDZUVMCXOEDD-UHFFFAOYSA-N 348.428 1.747 0 40 EDAB CCN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1COC[C@@H](O)[C@H]1O 585286589 MJJSNGFBKJKJTJ-JMSVASOKSA-N 339.775 1.669 0 40 EDAB COC[C@H](NS(=O)(=O)c1cnn(C)c1)c1cccc(OC)c1 585091959 UXKFKGOQFFDUCB-AWEZNQCLSA-N 325.390 1.095 0 40 EDAB COC[C@H](C)NC(=O)c1nc2c(o1)CCN(Cc1cncs1)C2 585111709 GJPHGRHTJBIEAR-JTQLQIEISA-N 336.417 1.454 0 40 EDAB COC[C@@H](NS(=O)(=O)c1cncc(F)c1)c1cccc(OC)c1 585091901 CHLWUUXSPPNAKB-OAHLLOKOSA-N 340.376 1.895 0 40 EDAB NC(=O)c1cccc2c1CCN(C(=O)NCc1noc(C3CC3)n1)C2 585094448 GPBOFNPRALTTGS-UHFFFAOYSA-N 341.371 1.314 0 40 EDAB Cc1cc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)ncn1 1776008377 CCUJDHRCACERNM-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB CN(C(=O)COc1ccc(Cl)cc1)C1CN(c2cnccn2)C1 1776001489 WKMSVFAVJSSNMS-UHFFFAOYSA-N 332.791 1.856 0 40 EDAB Cc1cc(C(=O)NCC2(N3CCOCC3)CCSCC2)no1 1776008993 FGQUJJXFIWHZFM-UHFFFAOYSA-N 325.434 1.311 0 40 EDAB O=C(C1CCCC1)N1CCN(Cc2nnc3n2CCCCC3)CC1 40481314 YPBZVLDTQVENFC-UHFFFAOYSA-N 331.464 1.839 0 40 EDAB Cc1cc(N2CCN(c3cc(O)nc(O)n3)CC2)nc(C2CC2)n1 1565520645 AGAYEZOQDZWHEE-UHFFFAOYSA-N 328.376 1.190 0 40 EDAB Cc1n[nH]c([C@H]2CN(C(=O)c3ncoc3[C@@H]3CCCO3)CCO2)n1 76045382 XVGJCGWQJJWXGB-WDEREUQCSA-N 333.348 1.166 0 40 EDAB O=C(c1ncccc1C(F)(F)F)N1CCC[C@](O)(c2cnn[nH]2)C1 583618956 MXLBJEHOTIKWQL-CYBMUJFWSA-N 341.293 1.342 0 40 EDAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCCN(C2CCC2)CC1 828390827 BEMNFYNXENYJAH-UHFFFAOYSA-N 336.457 1.870 0 40 EDAB O=C(c1ccccn1)N1CCc2c(O)nc(-c3cnccn3)nc2C1 13267781 QVPOFHZURVVKRV-UHFFFAOYSA-N 334.339 1.233 0 40 EDAB CCCCNC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC 16638820 QAXPOVNAEAMGTM-UHFFFAOYSA-N 344.433 1.241 0 40 EDAB COc1ccc(N2C[C@H](NC(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cc1 4373445 NOLYRFGQYFRLHJ-HZSPNIEDSA-N 347.415 1.619 0 40 EDAB O[C@@]1(Cn2ccnn2)CCCN(Cc2nnc(C3CC3)n2C2CC2)C1 572386294 DNAQRYVVCZZRAT-KRWDZBQOSA-N 343.435 1.109 0 40 EDAB Cc1cc2c(cc1NC(=O)[C@@H]1CCOC1)N(C)S(=O)(=O)N2C 575614038 ZPVLJCRBMNHQQK-SNVBAGLBSA-N 325.390 1.101 0 40 EDAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2cnn(C)c2)C3)nc1 1888869391 FSLVUZZFCGRBAK-QAPCUYQASA-N 341.415 1.840 0 40 EDAB CCc1cc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)ncn1 1888890506 RTRVELNWPPGWFF-UHFFFAOYSA-N 336.403 1.341 0 40 EDAB Cc1ccc(N2C[C@H]3CN(c4cc(C)nc5ncnn45)C[C@H]3C2)nn1 1888897218 TYFQHNPBWNTIFE-OKILXGFUSA-N 336.403 1.104 0 40 EDAB Cc1cnc(N(C)[C@@H]2CCCN(CC(=O)NCc3ccco3)C2)nc1 1888921736 JWWSKTUSEXRDQT-OAHLLOKOSA-N 343.431 1.595 0 40 EDAB Cc1nc2c(c(N3CCN(c4cc(N(C)C)ncn4)CC3)n1)CCC2 1889084216 HSGXQGKDHMMPLS-UHFFFAOYSA-N 339.447 1.456 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 24480625 DNFZXLHQIVYTPP-QGZVFWFLSA-N 340.427 1.470 0 40 EDAB CC[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 78548949 BJZJNOYWEOTUPX-SJORKVTESA-N 329.444 1.636 0 40 EDAB O=S(=O)(N[C@H]1CO[C@]2(CCCNC2)C1)c1ccc(F)c(F)c1 2056226002 HOTQATIEFKEDEE-QMTHXVAHSA-N 332.372 1.154 0 40 EDAB O=C(NCc1ccc2c(c1)OCO2)N1CC(OC[C@@H]2CCOC2)C1 1565523234 JVHSPZBKEIGLQV-CYBMUJFWSA-N 334.372 1.362 0 40 EDAB Cn1cccc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)C3)c1=O 1565550592 DCKISSLBMSMWCS-UHFFFAOYSA-N 343.427 1.250 0 40 EDAB CC(C)CN1C(=O)N[C@@](NC(=O)c2cccnc2)(C(F)(F)F)C1=O 2263731 FPBUFJDTLOMGGN-CYBMUJFWSA-N 344.293 1.278 0 40 EDAB Cc1cnc2c(c1SCc1ccccn1)c(=O)n(C)c(=O)n2C 10216460 TVOVMWMDXSPNTP-UHFFFAOYSA-N 328.397 1.628 0 40 EDAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccccc2)cc1 11739554 UOMCITCDCSSSOZ-UHFFFAOYSA-N 325.368 1.805 0 40 EDAB CSc1ccccc1NC(=O)C(=O)NCCn1nc(C)cc1C 38718282 VKLLIUNXFGDJRW-UHFFFAOYSA-N 332.429 1.977 0 40 EDAB O=C(NCCn1nc2c(cc1=O)CCC2)c1cc(-c2ccccc2)[nH]n1 585150626 ZGBWTXKRVWHPFV-UHFFFAOYSA-N 349.394 1.552 0 40 EDAB CCN1CCN(C(=O)NCc2ccc(-c3ccco3)o2)C(=O)C1=O 585147820 YHKYECBJEURWSM-UHFFFAOYSA-N 331.328 1.440 0 40 EDAB C[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)N1CCNC1=O 22005926 PDUYHSNDKHAJNL-MRVPVSSYSA-N 337.430 1.576 0 40 EDAB Nn1c(CO)nnc1SCc1cc(Cl)cc2c1OCOC2 30952845 YOCKNOYXNMSSAG-UHFFFAOYSA-N 328.781 1.296 0 40 EDAB COC(=O)Cn1/c(=N/C(=O)c2ccno2)sc2cccc(F)c21 101121004 QGYOBSDYQOIRFY-VKAVYKQESA-N 335.316 1.744 0 40 EDAB O=C1SCCN1CCC(=O)N1CCC[C@@H]1c1nnc2ccccn12 40468713 JTMLSSUHXRBMOA-GFCCVEGCSA-N 345.428 1.952 0 40 EDAB CC(C)COc1cccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 40467494 PATUGWKQQXLZNQ-AWEZNQCLSA-N 325.430 1.981 0 40 EDAB Cc1cc(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)no1 31657034 WWMCYAWGGGBCSG-UHFFFAOYSA-N 349.412 1.931 0 40 EDAB CC(C)N(CCCNC(=O)CCc1ccsc1)S(C)(=O)=O 40535309 HTQJHUGZTNFRBH-UHFFFAOYSA-N 332.491 1.857 0 40 EDAB Cc1cccc(-n2ncc(C(=O)N[C@@H]3CCCCNC3=O)c2C)c1 40521890 YVGMWHKGWFQBQI-MRXNPFEDSA-N 326.400 1.888 0 40 EDAB O=C(CCS(=O)(=O)c1cccc[n+]1[O-])N1CCc2ccccc21 40555228 HCJWLGACEDSIDU-UHFFFAOYSA-N 332.381 1.073 0 40 EDAB COc1ccc(F)cc1CN1CCN(c2ncnc3nc[nH]c23)CC1 40512390 RLTPZYZLMCLJCK-UHFFFAOYSA-N 342.378 1.823 0 40 EDAB O=C(CCc1cccs1)NC[C@H]([C@H]1CCOC1)N1CCOCC1 40505273 FJPPMFFFGLFZOS-GOEBONIOSA-N 338.473 1.534 0 40 EDAB CCCCN1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20567029 KURIEINIQSRWTQ-KBEILRBXSA-N 345.374 1.366 0 40 EDAB NS(=O)(=O)c1ccc(CCNc2ncnc3ncccc23)cc1 41472876 SXUPXNYJVQTDQT-UHFFFAOYSA-N 329.385 1.327 0 40 EDAB CC(C)(C)c1nc(CNC2CCN(S(C)(=O)=O)CC2)cs1 53018391 LFXLZPCJASIZBO-UHFFFAOYSA-N 331.507 1.954 0 40 EDAB O=C(CCc1cc(F)ccc1F)NCCC(=O)N1CCOCC1 53028973 LLUUQKNUDUHTGE-UHFFFAOYSA-N 326.343 1.263 0 40 EDAB Cc1cc(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl 42178639 LKGHUKHZYGAJJA-GFCCVEGCSA-N 345.848 1.981 0 40 EDAB COc1ccc([C@H](NC(=O)CN2CCCC2=O)c2nccn2C)cc1 22839614 QLUDGKZOIMIJPG-KRWDZBQOSA-N 342.399 1.257 0 40 EDAB CNC(=O)c1ccc(CNC(=O)CNC(=O)c2ccccc2)cc1 23111874 XNDPNFAPNWTYRM-UHFFFAOYSA-N 325.368 1.092 0 40 EDAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 83159 JOPLOZRENDDSIF-CYBMUJFWSA-N 336.344 1.513 0 40 EDAB O=C(/C=c1/[nH]c(=O)/c(=C/c2ccc3c(c2)OCO3)s1)c1ccco1 105629843 QHLJWZNTWRPQMR-DUGOVBPYSA-N 341.344 1.250 0 40 EDAB COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)c1ccc(F)cc1 408376 UBGJAZYQWCSDHA-UHFFFAOYSA-N 333.275 1.002 0 40 EDAB O=C(CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O)N1CCOCC1 1101156 QZJGBEOOIXUAQC-UKTHLTGXSA-N 348.380 1.287 0 40 EDAB COc1ccc(CC(=O)N2CCC(c3nncn3C)CC2)c(OC)c1 24691727 COJOLUZUBDQVPU-UHFFFAOYSA-N 344.415 1.781 0 40 EDAB COc1ncccc1CNC(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 106054998 WXDYBLFLKDEBFV-MCIONIFRSA-N 336.436 1.387 0 40 EDAB C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C)[C@@H]3CCCO3)cn2)CCO1 106090926 RLAKQBCNDOGYNO-FMKPAKJESA-N 348.447 1.673 0 40 EDAB Cc1cccc(O[C@H](C)C(=O)N2CCN(Cc3noc(C)n3)CC2)c1 79001575 YWHNKKRFBUGBNS-CQSZACIVSA-N 344.415 1.798 0 40 EDAB COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)c1ccccc1 1587962 VZWFLHJPCLKYIM-UHFFFAOYSA-N 332.337 1.570 0 40 EDAB O=S(=O)(C[C@@H]1CCOC1)NC1CCN(Cc2ccccc2)CC1 106447500 LVBYAHXRLKYLBX-MRXNPFEDSA-N 338.473 1.607 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)N[C@H](C)c3cccs3)CCO2)c1 106665699 JVMCQACBTPMZBD-CABCVRRESA-N 348.472 1.831 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)c1cccc(OC(F)F)c1 3293971 AXBLSTSHYSCCBB-UHFFFAOYSA-N 330.287 1.679 0 40 EDAB Cc1cc(CN(C)C(=O)c2sc3ncn(C)c(=O)c3c2C)no1 25137024 SVUOSEILNWEXJY-UHFFFAOYSA-N 332.385 1.872 0 40 EDAB COC(=O)[C@@H]1CSC[C@@H](c2ccccc2)N1CC(=O)NC(C)C 107051260 RENKLKZGYWCDFM-GJZGRUSLSA-N 336.457 1.843 0 40 EDAB CCn1cc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cn1 43646008 ZSAAMEUTGNYQHQ-HNNXBMFYSA-N 347.419 1.999 0 40 EDAB NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)o1 56328030 WBZBMWUFLGDMEX-ZDUSSCGKSA-N 334.397 1.774 0 40 EDAB Cc1n[nH]c([C@@H]2CN(C[C@@H](O)COc3ccccc3F)CCO2)n1 107354529 AKSBNCNIUKZORG-DOMZBBRYSA-N 336.367 1.065 0 40 EDAB C[C@H](NC(=O)CS(=O)(=O)c1nccn1C)[C@H]1C[C@H]2CC[C@H]1C2 107313729 ODVYHNZKXKHJMC-ZDEQEGDKSA-N 325.434 1.135 0 40 EDAB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCC2 7216603 OLPYUPLKHJWSHY-AWEZNQCLSA-N 343.470 1.373 0 40 EDAB COc1cc(CNC(=O)c2cc(C)nc3c2c(C)nn3C)ccn1 26004356 INQOQMPXHDAXAN-UHFFFAOYSA-N 325.372 1.919 0 40 EDAB O=C(CN1CCN(c2cnc3ccccc3n2)CC1)N1CCCC1 26136610 DIOVZCXIRYBKRQ-UHFFFAOYSA-N 325.416 1.374 0 40 EDAB C[C@H](OC(=O)COc1ccccc1)C(=O)Nc1ncnc2nc[nH]c12 26241768 LPJAZOWOYZHSBL-JTQLQIEISA-N 341.327 1.302 0 40 EDAB C[C@H](NC(=O)CN1C[C@H](C(N)=O)Oc2ccccc21)c1cccs1 35271017 WAEIQNUEEFYARK-SMDDNHRTSA-N 345.424 1.678 0 40 EDAB CC(C)CNC(=O)NC(=O)CN1CCN(c2ccc(F)cc2)CC1 35362435 NICZPUUOKXDFQE-UHFFFAOYSA-N 336.411 1.430 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)N(Cc2ccncc2)C2CC2)cc1 57680522 QBBIYUJCDRLVIV-UHFFFAOYSA-N 331.397 1.534 0 40 EDAB CCN(C(=O)[C@@H](C)Nc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 57891677 NZDJUIYFULZRJH-CHWSQXEVSA-N 340.445 1.531 0 40 EDAB C[C@@H]1C[C@H](N(C)CCCOc2cccc(S(C)(=O)=O)c2)C(=O)O1 57909716 NTTTVIWEXQDCMG-DOMZBBRYSA-N 341.429 1.495 0 40 EDAB O=C(COc1ccc(F)cc1Cl)NC[C@H]1CCS(=O)(=O)C1 44720302 ZROIUCHAYKMENE-SECBINFHSA-N 335.784 1.409 0 40 EDAB CC(=O)N1CCN(Cc2nc(-c3ccc(O)cc3O)cs2)CC1 58157762 UEWCOCZGMQECKC-UHFFFAOYSA-N 333.413 1.885 0 40 EDAB CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(NC(C)=O)cc1 58208732 GAISHPROTUUBCS-CQSZACIVSA-N 326.418 1.835 0 40 EDAB C[C@H](CN1CCOCC1)NC(=O)COCc1nc2ccccc2s1 44940406 PPVRGWQGDHULKA-CYBMUJFWSA-N 349.456 1.650 0 40 EDAB COc1cc2c(cc1OC)CN(C(=O)CN1CCC(CO)CC1)CC2 44937902 LZTFYWHRPVYPHX-UHFFFAOYSA-N 348.443 1.293 0 40 EDAB C[C@H]1CN(CCNC(=O)Nc2cccnc2N2CCCC2)C[C@H](C)O1 44952085 ZGBRCDAJWOIXID-GJZGRUSLSA-N 347.463 1.913 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(F)cc1F)NC1CCCCC1 58310814 UYOGQCYQDYADGI-UHFFFAOYSA-N 332.372 1.692 0 40 EDAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO[C@@H]1CCCCO1 58416152 MVMVNRMWHJLXNR-IAGOWNOFSA-N 345.399 1.790 0 40 EDAB O=C(NCc1cc(O)n2nc(-c3cccnc3)cc2n1)c1ccncc1 100744353 WUWYDVBJJPOLOF-UHFFFAOYSA-N 346.350 1.822 0 40 EDAB Cc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C)cc2)cc1 106381830 IUKWCANXJWTGNS-UHFFFAOYSA-N 325.368 1.997 0 40 EDAB CCC(=O)N1CCN(c2nc(C(C)C)nc3c(C)nn(C)c23)CC1 28557757 CUBRUHMQRXIKNV-UHFFFAOYSA-N 330.436 1.854 0 40 EDAB O=C(c1nnc2sc(-c3cccc(Cl)c3)nn12)N1CCOCC1 57354661 ABLCZTQJFJFSIG-UHFFFAOYSA-N 349.803 1.979 0 40 EDAB C[C@@]1(NS(=O)(=O)C2=Cc3ccccc3CC2)CCS(=O)(=O)C1 24067976 OSDZRGPFIXQNLF-OAHLLOKOSA-N 341.454 1.470 0 40 EDAB NC(=O)CCN1CCCN(C(=O)c2ccccc2C(F)(F)F)CC1 46090409 KZZRFRFSBBOJNA-UHFFFAOYSA-N 343.349 1.729 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)CCOc2cccc(F)c2)CC1 29825424 YQGVLEKMUOWMQY-UHFFFAOYSA-N 344.408 1.135 0 40 EDAB CN(C1CCCCC1)S(=O)(=O)NCCc1cn2ccccc2n1 29966289 ZXUBYKBZIOMTTQ-UHFFFAOYSA-N 336.461 1.976 0 40 EDAB Cc1ncsc1C(=O)NCCN1CCN(Cc2ccccc2)CC1 46783977 QOLDSDXMCRNZKB-UHFFFAOYSA-N 344.484 1.999 0 40 EDAB COCCNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100179984 TUFJQCMCRDPHPX-CFLYGVGMSA-N 344.411 1.704 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)NCCOc1ccc2c(c1)OCO2 47130387 VYXXZQYCDKUWSY-ZDUSSCGKSA-N 336.388 1.862 0 40 EDAB COC(=O)CNc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 58369109 ZOMOKJHUUSRMND-UHFFFAOYSA-N 327.280 1.574 0 40 EDAB C[C@H]1CN(c2ccc(F)cc2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1 12647597 UOZCTBONZPHACT-VIFPVBQESA-N 329.335 1.350 0 40 EDAB COCCCn1c(=O)[nH]c(=O)c2c(-c3ccc(OC)cc3)ccnc21 10339047 PMJSYOUVJSYYCN-UHFFFAOYSA-N 341.367 1.797 0 40 EDAB CCN(CC)C[C@H](NS(=O)(=O)c1cnn(C)c1)c1ccccc1 48237879 HAOSLTDRTBRXRU-INIZCTEOSA-N 336.461 1.782 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(c2ccc(F)cc2)CC1 48300903 GLFHJJBOCNYHQA-AWEZNQCLSA-N 340.420 1.398 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)CSCc2ccccn2)C1 48314413 RTIGUUUIGAHSGL-INIZCTEOSA-N 337.489 1.788 0 40 EDAB CC1CCC2(CC1)NC(=O)N(Cc1cc(=O)n3ccsc3n1)C2=O 3457922 XJVDKGSUFRSTHO-UHFFFAOYSA-N 346.412 1.757 0 40 EDAB CCS(=O)(=O)N1CCC(NC(=O)COc2cccc(C)c2)CC1 13005571 NUNNELXGAOROND-UHFFFAOYSA-N 340.445 1.304 0 40 EDAB O=C1CCc2cc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)ccc2N1 13197102 LEPGFABNIFWNLY-ZDUSSCGKSA-N 338.385 1.199 0 40 EDAB CN(C)c1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1 8974718 BFBPIDSQOXVYPG-UHFFFAOYSA-N 338.367 1.395 0 40 EDAB CN(C)C(=O)Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3 64814360 LKFXIAARYRXHSU-UHFFFAOYSA-N 329.278 1.915 0 40 EDAB CCc1ccccc1N1C[C@H](C(=O)NCCNC(=O)C(C)C)CC1=O 65402364 FKFWABMUPWZESY-OAHLLOKOSA-N 345.443 1.490 0 40 EDAB Cc1nnc2n1C[C@H](NC(=O)CCCc1nc(C(C)C)no1)CC2 65591372 HIVPSBOQAYACTE-GFCCVEGCSA-N 332.408 1.547 0 40 EDAB COc1ccccc1S(=O)(=O)N(C)CC(=O)Nc1cccc(C)n1 65552382 KIFQRRJKLRARCA-UHFFFAOYSA-N 349.412 1.658 0 40 EDAB O=C1CCC(c2ccc(Cl)cc2)=NN1[C@@H]1CCS(=O)(=O)C1 14108986 BXAJKCFXWKQEKZ-GFCCVEGCSA-N 326.805 1.854 0 40 EDAB Cc1ccccc1[C@@H](C)NC(=O)Cn1cnc2c(cnn2C)c1=O 14417407 FHVYVLLQIOQRFJ-GFCCVEGCSA-N 325.372 1.316 0 40 EDAB Cc1cccc(OCCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1 4626399 DYJMBUDSACIXGS-UHFFFAOYSA-N 329.400 1.845 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NC(C)(C)C 4704322 GTUIBGDGDHBJKM-AWEZNQCLSA-N 334.416 1.582 0 40 EDAB COC(=O)Nc1cc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)ccc1F 66489399 RKUQZVGYLALIJA-VIFPVBQESA-N 335.335 1.953 0 40 EDAB COc1ccc(NC(=O)CN2CCC(N3CCO[C@@H](C)C3)CC2)cc1 66561980 TWYOKSVSTPIJNP-HNNXBMFYSA-N 347.459 1.819 0 40 EDAB CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 15518666 IGOZKCBVAQAZFO-CYBMUJFWSA-N 329.400 1.613 0 40 EDAB CC(C)C(=O)N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O 9420360 VJVHOJFDVCFHMQ-GFCCVEGCSA-N 333.266 1.362 0 40 EDAB CCCCN(CCO)C[C@@H](O)COCc1ccc2c(c1)OCO2 68045830 VOSICYMIPDIUST-OAHLLOKOSA-N 325.405 1.387 0 40 EDAB CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H]1CCCC[C@H]1C 409333175 CRQDBXCFZYRLAP-KBXIAJHMSA-N 326.437 1.909 0 40 EDAB CCOC(=O)CN(CCOC)CC(=O)Nc1cc(C(C)(C)C)no1 64508972 QQXILFVUOIJUST-UHFFFAOYSA-N 341.408 1.422 0 40 EDAB Cc1nc(CN2CCN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)CC2)cs1 71830641 DHXWXWMDOZETIN-CVEARBPZSA-N 345.472 1.633 0 40 EDAB Cc1cc(C)n(C[C@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)n1 69349738 PMVLARRVBOAHID-OAHLLOKOSA-N 330.436 1.407 0 40 EDAB C[C@H](NS(=O)(=O)N(C)C)c1cc(F)ccc1N1CCN(C)CC1 69350363 MEPISHHNONYXNZ-LBPRGKRZSA-N 344.456 1.035 0 40 EDAB CC(C)c1nnc2n1CCN(C(=O)c1cc3ccccc3c(=O)[nH]1)C2 71864880 ABFPGQCNLGIGTB-UHFFFAOYSA-N 337.383 1.899 0 40 EDAB C[C@@]1(C(=O)Nc2nnc(C(F)(F)F)[nH]2)Cc2ccccc2C(=O)O1 69485461 MWNYAHFIFUUDRG-ZDUSSCGKSA-N 340.261 1.934 0 40 EDAB O=C(CCN1CCN([C@@H]2CCC[C@@H]2O)CC1)Nc1cccc(F)c1 69439121 DQZHNVDRIJHXTK-SJORKVTESA-N 335.423 1.685 0 40 EDAB O=C(CS(=O)(=O)C1CCCC1)N1CCC[C@@H]1CN1CCCC1 69441417 ATEMIUBSDAALSJ-CQSZACIVSA-N 328.478 1.431 0 40 EDAB COC(=O)[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1cc(F)ccc1F 69567031 MNOUDGFVIIGISA-AWEZNQCLSA-N 336.294 1.308 0 40 EDAB Cn1ncc2c(N3CCC(NC(=O)c4cccnc4)CC3)ncnc21 69520227 XYADSNCQIHQBLD-UHFFFAOYSA-N 337.387 1.157 0 40 EDAB COc1ccc(-n2cnnc2SCC(=O)NC[C@@H]2CCCO2)cn1 69569817 RWLUFBYETCYTIW-LBPRGKRZSA-N 349.416 1.058 0 40 EDAB O=C(CN[C@H]1CCc2ncnn2C1)NCCOc1ccc(Cl)cc1 69596553 IRELFISTHJYTGN-ZDUSSCGKSA-N 349.822 1.031 0 40 EDAB CCc1nc(CN2CCC[C@H](NCc3ccc(C(N)=O)cc3)C2)no1 69538017 JLKYLQJJZFNWNE-HNNXBMFYSA-N 343.431 1.485 0 40 EDAB Cc1cccc(-c2nc(CN3CCO[C@H](Cn4cncn4)C3)no2)c1 71878758 QCWIDMYPXXWXLK-HNNXBMFYSA-N 340.387 1.538 0 40 EDAB C[C@H]1CN(Cc2cccc(CNC(=O)c3ccc(=O)[nH]c3)c2)CCO1 71827092 OYVORQKNCWVQMY-AWEZNQCLSA-N 341.411 1.526 0 40 EDAB Cc1cc(CN2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)on1 71820820 DBELABHHAQRFKJ-UHFFFAOYSA-N 343.383 1.599 0 40 EDAB COC(=O)c1[nH]c(C)cc1NC(=O)CCNC(=O)c1ccsc1 69630525 NWBDHFULEGBGRC-UHFFFAOYSA-N 335.385 1.930 0 40 EDAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@H](C)[C@@H](C)n1cncn1 69772340 OYSYVHIJOYFXPR-BZPMIXESSA-N 349.460 1.860 0 40 EDAB O=C(NC1CCN(C[C@H](O)c2ccccc2)CC1)C1CCOCC1 69744329 RINHHOOBDLKJOG-SFHVURJKSA-N 332.444 1.727 0 40 EDAB COc1ccc(NC(=O)CCN2CCC(n3cncn3)CC2)cc1 69814448 AMNZOJBRZGEUKV-UHFFFAOYSA-N 329.404 1.952 0 40 EDAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC2CC2)C1 72234067 KIQRJYISZAVCKH-HOTGVXAUSA-N 344.459 1.959 0 40 EDAB Cc1nc([C@@H]2CCCN(C(=O)CN3CCCNC3=O)C2)sc1C 72297440 GGZUQBOJLWJGBI-CYBMUJFWSA-N 336.461 1.881 0 40 EDAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(=O)n(C)n1 72234186 PTGDVGGEHHIOLN-LLVKDONJSA-N 335.795 1.453 0 40 EDAB O=C(c1cc(=O)c2ccccc2o1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269464 OGCYXUOLNSFZJF-CABCVRRESA-N 342.395 1.464 0 40 EDAB C[C@H](CN1CCOCC1)OC(=O)c1cncc(Br)c1 97107115 IPSXSTDIVUSIKL-SNVBAGLBSA-N 329.194 1.722 0 40 EDAB CCN(CC)C[C@@H]1CCCC[C@@H]1NCCn1nc2ccccn2c1=O 97164311 LZRDGHDOXRVXKN-IRXDYDNUSA-N 345.491 1.986 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(N)cc1)c1ccc(-n2ccnn2)cc1 97376018 DSMFJPYYFCHNHO-LBPRGKRZSA-N 343.412 1.889 0 40 EDAB NC(=O)CCn1ccc(NC(=O)C[C@H]2OCCc3ccsc32)n1 84613336 GRLNFXQGXLUSOD-LLVKDONJSA-N 334.401 1.463 0 40 EDAB CC[C@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@@H]1N1CCOCC1 84735828 SYWFJEGCUMTCLJ-RDJZCZTQSA-N 334.464 1.230 0 40 EDAB Cc1cc(F)c(S(=O)(=O)N(C)CCC(=O)NC2CC2)cc1F 95417514 ITQANABENMJGFS-UHFFFAOYSA-N 332.372 1.562 0 40 EDAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nncs1 95474636 WOKSFNFAUDZMDE-JTQLQIEISA-N 331.357 1.008 0 40 EDAB c1ccc(O[C@@H]2CSC3(C2)CN(c2ccc4nncn4n2)C3)nc1 306142193 WSGRZADCZGMZGA-LBPRGKRZSA-N 340.412 1.663 0 40 EDAB COCCNC(=O)CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 89414624 WWUDCOOYYDXGKY-DLBZAZTESA-N 326.396 1.822 0 40 EDAB CC[C@@H]1CCc2ccccc2N1C(=O)CN1CCS(=O)(=O)CC1 75093905 UCBBASXFSLPLLQ-OAHLLOKOSA-N 336.457 1.475 0 40 EDAB Cc1cc(CC(=O)NCC2(CN3CCOCC3)CCCCC2)no1 75107393 VYEZQFWTXWQKAY-UHFFFAOYSA-N 335.448 1.924 0 40 EDAB COc1ccc([C@@H](CNC(=O)N[C@H](C)Cn2ccnc2)N(C)C)cc1 89904427 PARARYBIACJMDT-RHSMWYFYSA-N 345.447 1.882 0 40 EDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)c3ccncc3F)CCO2)n1 76046422 HPLZFFPGMZHAJL-LBPRGKRZSA-N 333.367 1.850 0 40 EDAB Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C3OCCO3)C=C[C@H]2O1 409299893 SUQJLOLSICDJSD-UHQDVWGKSA-N 327.336 1.181 0 40 EDAB COc1c(C)cnc(CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1C 69933593 JEZLHWRTRXAELD-NSHDSACASA-N 343.449 1.282 0 40 EDAB CCn1cc(S(=O)(=O)N2CCC(=O)C[C@H]2c2ccccc2)cn1 521394435 AIACYEHSZPOHRW-INIZCTEOSA-N 333.413 1.998 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCCN(c2cccnn2)CC1 71860338 PNKZKUIGPOMRFJ-UHFFFAOYSA-N 326.404 1.290 0 40 EDAB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)CO)cc1 218399750 GURMLFBGOVMKKE-KSZLIROESA-N 331.437 1.872 0 40 EDAB COc1nn(C)cc1C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70639914 WDBBONYTJCJYNO-GFCCVEGCSA-N 343.305 1.911 0 40 EDAB COc1ccc(NC(=O)C(=O)NC[C@](C)(O)c2ccccc2)cc1 70639752 LJLMTLFCGRTYAN-SFHVURJKSA-N 328.368 1.658 0 40 EDAB O=C(CN1CCCC1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 72378797 VTKDLQRNAYSJTN-OAHLLOKOSA-N 326.404 1.422 0 40 EDAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCCO 217524159 HGLULJPUDKETOB-NSHDSACASA-N 344.433 1.646 0 40 EDAB CC(=O)c1cccc(OC[C@@H](O)CN2C(=O)[C@@H]3CCCN3C2=O)c1 44891891 CHDHQBHHYGBQGP-ZFWWWQNUSA-N 332.356 1.056 0 40 EDAB CN1CCN(C)[C@@H](CNC(=O)Nc2cc(Cl)ccc2N(C)C)C1 195530571 ZBEIGOGDKSOXAY-ZDUSSCGKSA-N 339.871 1.773 0 40 EDAB C[C@](O)(CNC(=O)c1sccc1-n1cnnn1)c1ccsc1 80891839 BAPFOZJFNDXNCW-ZDUSSCGKSA-N 335.414 1.423 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)NCCc3cncnc3)CC2=O)c1 225589730 HAARHPMGCAPWQP-AWEZNQCLSA-N 340.383 1.197 0 40 EDAB Cn1cc(CNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)cn1 96426282 TXXHSLIKXPIOLI-MRXNPFEDSA-N 332.379 1.249 0 40 EDAB Cc1nc(-c2cnn(C)c2)nc2c1CN(C(=O)c1cccn1C)CC2 96253926 KADPCHGIQHWJKY-UHFFFAOYSA-N 336.399 1.723 0 40 EDAB O=C(O)[C@@H]1C[C@@H](N2CCOCC2)CCN1C(=O)Cc1ccsc1 96198745 MNQPMCPNZMTWKS-KBPBESRZSA-N 338.429 1.067 0 40 EDAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 96426805 LMDDMKNBQLJXNN-RYUDHWBXSA-N 336.354 1.815 0 40 EDAB O=C([C@@H]1CCCO1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 96186171 CTTFKJWRFWLVCE-XSLAGTTESA-N 346.427 1.926 0 40 EDAB CNC(=O)NCC(=O)NC(C)(C)Cc1cccc(Br)c1 90054720 YWQMHIBFERMPSC-UHFFFAOYSA-N 342.237 1.815 0 40 EDAB C[C@@H](C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2)n1cncn1 97107868 FQGGZOKZVSWGQA-ZDUSSCGKSA-N 343.431 1.607 0 40 EDAB CN1CCN(CC2CC2)C2(CCN(c3ncc(F)cn3)CC2)C1=O 96230285 TVAAVCWPHMAGMT-UHFFFAOYSA-N 333.411 1.139 0 40 EDAB Cc1nc(CNC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)oc1C 96420693 JDRHTEROJUFAES-AWEZNQCLSA-N 336.436 1.985 0 40 EDAB COc1cc(N2CCOC[C@@H]2c2nccc(NCC3CC3)n2)ncn1 96209894 ANYSUKYETKFCBP-CYBMUJFWSA-N 342.403 1.675 0 40 EDAB CN(C)c1nc(N)nc(CN2CC[C@@H](Oc3ccccc3Cl)C2)n1 95434254 IPIPIKTVTPCNFU-LLVKDONJSA-N 348.838 1.827 0 40 EDAB Cc1nn(C)cc1-c1nn2c(-c3c(Cl)cnn3C)nnc2s1 95480941 XAHLNBHLGDPZGE-UHFFFAOYSA-N 334.796 1.949 0 40 EDAB CCc1cnc(N2CCO[C@H]3CN(C(=O)C4CC4)CC[C@@H]3C2)nc1 96249781 VPPCPDZHZMPOOK-CVEARBPZSA-N 330.432 1.503 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](C)(C(=O)OC)N[C@H]2c1ccc(F)cc1 245230497 SVWWHCGTDZGGBX-PFHKOEEOSA-N 334.347 1.023 0 40 EDAB CC1(C)CCN(C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)CCS1(=O)=O 249050862 XKNIRKZCYJHIIQ-WUHRBBMRSA-N 326.462 1.640 0 40 EDAB COCc1c(C(=O)N2CCO[C@H](c3nc(C)cc(O)n3)C2)noc1C 257265494 LYWJVTUVZKMOAU-LBPRGKRZSA-N 348.359 1.147 0 40 EDAB CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)C1CCOCC1 257344783 ZYQWPVWKTRAVLS-SFHVURJKSA-N 333.432 1.298 0 40 EDAB Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 257240344 HTBXHDMMCVNJOG-AWEZNQCLSA-N 340.427 1.784 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1Cc1nccn1C(C)C 257275136 NOBBQAHQQOKBIA-QGZVFWFLSA-N 328.420 1.491 0 40 EDAB O=C(CN1CCN(C[C@@H](O)c2ccco2)CC1)NC1CCCCC1 85436885 OIRHRGXVJMDWTJ-MRXNPFEDSA-N 335.448 1.380 0 40 EDAB Cc1cncc(C2CCN(C(=O)Cn3nnc4ccccc43)CC2)n1 257295906 RAJLVUDTNHVLOS-UHFFFAOYSA-N 336.399 1.936 0 40 EDAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C(N)=O)C2)cn1 257208391 BLZKJWWAEXYZMV-QGZVFWFLSA-N 338.411 1.202 0 40 EDAB O=C([C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CCc2ccccc21 585122312 WOYAWJIADWWESF-QWRGUYRKSA-N 333.331 1.799 0 40 EDAB CCOC(=O)c1c(NS(=O)(=O)c2cnc(Cl)n2C)ccn1C 585118961 KLEZTPCFYAMCCZ-UHFFFAOYSA-N 346.796 1.390 0 40 EDAB Cc1ccc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)c(F)c1F 629297367 QOXSIRUACIYKRX-UHFFFAOYSA-N 349.355 1.433 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@@H]2NCCC1CC(O)C1 1616036241 QXZIDULTAHNSEQ-ZUBZBLCWSA-N 340.464 1.906 0 40 EDAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCc2nccn2C1 65463098 CYHDCPULZKWNRY-LLVKDONJSA-N 340.412 1.850 0 40 EDAB CC(C)n1nccc1NC(=O)[C@H](C)N[C@@H](C(N)=O)c1ccccc1 1615590469 PPURVAFZBUSMCA-SWLSCSKDSA-N 329.404 1.607 0 40 EDAB O=C(N1CCn2c(cnc2C(F)(F)F)C1)[C@]12CCC[C@H]1NCC2 1615545246 GBNNOBGNYCETHD-RISCZKNCSA-N 328.338 1.776 0 40 EDAB COc1cc(F)c(S(=O)(=O)N(C)c2cnccn2)cc1OC 390835821 ZAJJECHOKPKZFU-UHFFFAOYSA-N 327.337 1.458 0 40 EDAB CCOCc1nnc2n1CCN(C(=O)c1cc(C)nc(C)c1)[C@H](C)C2 585098218 SFLPEVGCTVOEKK-CQSZACIVSA-N 343.431 1.913 0 40 EDAB O=C(C[C@@H]1C[C@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]2O1)N1CCC1 585109485 UDZULQVHHGLBAU-WCFLWFBJSA-N 328.359 1.270 0 40 EDAB O=C(Cc1ccccn1)N1CCOC[C@](O)(COc2ccccc2)C1 585276217 DTTNMXQKEYLBMY-IBGZPJMESA-N 342.395 1.293 0 40 EDAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 29207191 ZRJQKHAQOHVGKB-ZDUSSCGKSA-N 330.837 1.423 0 40 EDAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(Cc3ccncc3)CC2)cn1 71830436 GNIYPIMISWOJNF-IRXDYDNUSA-N 325.416 1.263 0 40 EDAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCOC[C@@H]3CCCO3)C2)n1 72235449 XBQLNMNKFKJYLQ-HOTGVXAUSA-N 336.436 1.644 0 40 EDAB CC(C)c1nc([C@@H]2CCCN(C(=O)Cn3ccccc3=O)C2)no1 72232349 POCJLFCOOQIURU-CYBMUJFWSA-N 330.388 1.761 0 40 EDAB CC(C)Oc1ccc(NC(=O)N2CCO[C@H](C(N)=O)C2)cc1Cl 51612363 DZNJSBCYOVFJAS-ZDUSSCGKSA-N 341.795 1.845 0 40 EDAB C[C@H](CO)[C@@H](C)NC(=O)NCC1(N2CCCCC2)CCN(C)CC1 74385667 FROMHAKMAYATTM-HZPDHXFCSA-N 340.512 1.253 0 40 EDAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)n1 76046272 UYPREOKFVWHMIH-LBPRGKRZSA-N 347.423 1.074 0 40 EDAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(OCCO)nc2)s1 1615002205 SFBRUDSICVQIDF-UHFFFAOYSA-N 328.415 1.932 0 40 EDAB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1 5717650 HIQXQJGCBWKRFC-NEPJUHHUSA-N 340.376 1.318 0 40 EDAB COc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1OC 12322869 CCBFLSWGDZSZLT-UHFFFAOYSA-N 325.328 1.932 0 40 EDAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)NCc1ccccn1)CS2 12668323 XKXACROITSIUCG-CYBMUJFWSA-N 330.413 1.608 0 40 EDAB O=C(C[C@@H](NCCCn1ccnc1)C(=O)O)Nc1cccc(O)c1 16768145 BLXNZWMFTLUWGY-CQSZACIVSA-N 332.360 1.050 0 40 EDAB COc1ccc([C@H]2CC(=O)C[C@H](Nc3nonc3N)C2)c(OC)c1 19974029 LWPSRWXPBFGCOV-NXEZZACHSA-N 332.360 1.986 0 40 EDAB Cc1ccccc1N(CC(=O)Nc1ncccc1O)S(C)(=O)=O 21901807 GYAYNBZFSZPACF-UHFFFAOYSA-N 335.385 1.500 0 40 EDAB Cc1noc(CN2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)n1 1888879614 GZDRVYYRXCALOC-ZIAGYGMSSA-N 338.415 1.833 0 40 EDAB COCCn1cnc2c(Nc3ccc4c(c3)OCCO4)ncnc21 1888913099 IJRCVBHLAZHXQR-UHFFFAOYSA-N 327.344 1.988 0 40 EDAB O=S(=O)(NC1CCN(c2ncnc3sccc23)CC1)C1CC1 1889119420 YSWNXKBBYFCYFM-UHFFFAOYSA-N 338.458 1.742 0 40 EDAB O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24538949 YGUAKGYLOVDGBJ-AAEUAGOBSA-N 332.356 1.063 0 40 EDAB O=C(NCCc1ccccc1F)[C@H](Cc1ccccc1)n1cnnn1 25928184 XAXLONDEVFIBBD-KRWDZBQOSA-N 339.374 1.955 0 40 EDAB CCOc1nccn2c(CNC(=O)COc3ccc(F)cc3)nnc12 244975293 IKBQFDKCUUKUFY-UHFFFAOYSA-N 345.334 1.357 0 40 EDAB Cc1cnn(CCN2CCN(c3nc(C)cc(N(C)C)n3)CC2)c1 2086884482 ZIJUISROAQWFKW-UHFFFAOYSA-N 329.452 1.178 0 40 EDAB Cc1ccc(=O)n(CC2CN(c3nccc(C(F)(F)F)n3)C2)n1 585603513 YESFIUYGFMAAMD-UHFFFAOYSA-N 325.294 1.497 0 40 EDAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(C)=O)C3)c2N)cc1 19016430 OBPMCLANEQXTNJ-GFCCVEGCSA-N 328.372 1.514 0 40 EDAB COC(=O)[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 1907654 XWKTXAIXPJTINP-GHMZBOCLSA-N 333.340 1.546 0 40 EDAB biogenic COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)C=C[C@@]2(C)O1 100184927 PTHYKKLTUPXSHV-XHSVMWQWSA-N 327.336 1.696 0 40 EDAB Cc1cccc(NC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100848261 PYHXNQKHAPMCCM-SDADXPQNSA-N 339.395 1.924 0 40 EDAB aggregator CN1C[C@H](C(=O)N[C@H](c2ccccc2F)c2nccn2C)CC1=O 32319821 JSNGAJMZZFSBCJ-IAQYHMDHSA-N 330.363 1.243 0 40 EDAB COC(=O)[C@H](NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(C)C 101658643 NUQPTKQWLJVZRL-HEHGZKQESA-N 347.415 1.175 0 40 EDAB Cc1ccc(CN(C)C(=O)C2=NN(c3ccccc3)C(=O)CN2)o1 32681455 DXORWTOYDQGNKB-UHFFFAOYSA-N 326.356 1.496 0 40 EDAB O=C(CN1CCCCCC1=O)NCc1ccccc1Cn1cncn1 33105741 ZFIOBPXDDKKMEF-UHFFFAOYSA-N 341.415 1.345 0 40 EDAB COCCOc1ncccc1C(=O)NCc1cc(C(=O)OC)c(C)o1 53464766 IXQSVNQTJPEVIZ-UHFFFAOYSA-N 348.355 1.725 0 40 EDAB CCOC(=O)C1=C(CN2CCC[C@H]2c2ccccc2)NC(=O)NC1 54670262 GPDLUNWNCNPCDL-INIZCTEOSA-N 329.400 1.954 0 40 EDAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(Cl)nc(Cl)n2)C1 286250 KNJJDZGBWDVHNF-BDAKNGLRSA-N 338.198 1.964 0 40 EDAB CC(C)c1ccc(CCNC(=O)NC[C@H]2CN(C)CCN2C)cc1 78924496 NNSIMPLHPSHACB-SFHVURJKSA-N 332.492 1.898 0 40 EDAB Cc1nc(C)c(CNC(=O)NC[C@H](c2cnn(C)c2)N(C)C)s1 78942325 PQUWVTIECAZQCG-CYBMUJFWSA-N 336.465 1.596 0 40 EDAB CC(C)(C)N1C[C@H](NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CC1=O 79076568 IZRDLJJIJIZUAO-CHWSQXEVSA-N 333.436 1.698 0 40 EDAB C[C@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)CN1CCCC1 55538433 TWDNTZNZFIVYNT-HZPDHXFCSA-N 331.464 1.541 0 40 EDAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)C=C2CCCCC2)C[C@@H](C)O1 55994074 REBSCRDWPYTABA-ZIAGYGMSSA-N 344.477 1.432 0 40 EDAB O=C(OCC(=O)N1CCOCC1)c1cc(Br)ccc1O 4808069 RHXBNHIQOATGOK-UHFFFAOYSA-N 344.161 1.170 0 40 EDAB CCCCNc1ccccc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O 7197628 BUGYHQVHFUPQLD-LBPRGKRZSA-N 333.388 1.996 0 40 EDAB C[C@]1(NS(=O)(=O)c2ccc3ccccc3c2)CCS(=O)(=O)C1 7304214 SIGBTGDQBRGPQP-HNNXBMFYSA-N 339.438 1.695 0 40 EDAB CC(C)OC[C@@H]1C[C@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 35325975 RINBPLHLCMFXFO-LNHVQRHZSA-N 340.401 1.614 0 40 EDAB CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 27465020 GZNMAFOEEWMGBG-GFCCVEGCSA-N 330.475 1.983 0 40 EDAB Cc1cccc(NC(=O)CCNC(=O)c2ccc3c(c2)OCO3)n1 58174233 NFERZBCHXRGEPK-UHFFFAOYSA-N 327.340 1.877 0 40 EDAB O=CN1CCN(C(=O)C2CCN(Cc3ccccc3Cl)CC2)CC1 9063263 JEGOHJYRLUWTGJ-UHFFFAOYSA-N 349.862 1.853 0 40 EDAB COC[C@H](C)N(C)C(=O)c1cccc(CN2C(=O)CSC2=O)c1 44970046 ZOSSKQIDXHNVKF-NSHDSACASA-N 336.413 1.989 0 40 EDAB Cc1nc(CN2CCN(C(=O)N[C@@H](C)[C@H]3CCCO3)CC2)cs1 44970912 QXQZXGKUDNABQC-SWLSCSKDSA-N 338.477 1.846 0 40 EDAB C[C@@H](NC(=O)NC[C@@]1(N2CCOCC2)CCSC1)c1ccco1 44951819 NAXLEXHFZNNJGW-CJNGLKHVSA-N 339.461 1.848 0 40 EDAB CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 44942299 HUIYUGUJFXMDBB-CYBMUJFWSA-N 327.388 1.276 0 40 EDAB CCOC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 58316221 KXMMPDJBSVJBCI-GFCCVEGCSA-N 344.408 1.084 0 40 EDAB Cc1nn(C)c2c(N3CCN(C(=O)C4CCCCC4)CC3)ncnc12 28557355 UUABXXYKGZQQNC-UHFFFAOYSA-N 342.447 1.901 0 40 EDAB CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCCCCC2)cc1 58436457 NPHOBKOUGHWDJK-UHFFFAOYSA-N 339.461 1.821 0 40 EDAB CC(C)C[C@H]1NC(=O)N(C[C@H](O)CN(C)Cc2ccccc2)C1=O 58402304 FZTMKPPQMRXDLX-HZPDHXFCSA-N 333.432 1.446 0 40 EDAB CS(=O)(=O)NCCCNC(=O)N[C@@H]1CCCc2ccccc21 45139106 BUMQDXJNDVJGCN-CQSZACIVSA-N 325.434 1.303 0 40 EDAB C[C@H](NC(=O)NCCCNS(C)(=O)=O)c1cccc(Cl)c1 45138231 XMXIBDHLKKGZPZ-JTQLQIEISA-N 333.841 1.640 0 40 EDAB COc1ccc(C2(C(=O)NCCNS(C)(=O)=O)CCCC2)cc1 58792049 YACYLUKOYWHUDX-UHFFFAOYSA-N 340.445 1.172 0 40 EDAB COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(OC)nc1 36392244 NXEMMIIYZGVXLK-UHFFFAOYSA-N 340.357 1.887 0 40 EDAB O=C(c1nccn2ccnc12)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 110660831 FSYAADNGAMIQOG-KKUMJFAQSA-N 325.416 1.676 0 40 EDAB COCCN1CC2(CCN(C(=O)c3cccc(C)n3)CC2)CC1=O 108529662 PSLBHFNQANCTOX-UHFFFAOYSA-N 331.416 1.491 0 40 EDAB COc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 11202226 WKGHBYNLIATGNH-UHFFFAOYSA-N 340.426 1.263 0 40 EDAB C[C@@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 45654948 DWPFHFXZBVNJFB-NXEZZACHSA-N 332.372 1.760 0 40 EDAB COc1cccc(/C=C/C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1 29206911 DAJKBXVLNRMEOZ-VFNNOXKTSA-N 338.429 1.249 0 40 EDAB COC(=O)COC(=O)C1=NN(c2ccc(C)c(Cl)c2)C(=O)CC1 12168946 JYZKRJMSPTUTDR-UHFFFAOYSA-N 338.747 1.847 0 40 EDAB Cc1nc(CN2CC[C@@]3(COCCN([C@H]4CCOC4)C3)C2)cs1 107781475 DSQPXAREROMCBL-DLBZAZTESA-N 337.489 1.765 0 40 EDAB C[C@H]1CCCC[C@@H]1OCCn1cc(S(=O)(=O)N(C)C)ccc1=O 47368699 NMXSHJSLINNUEG-ZFWWWQNUSA-N 342.461 1.694 0 40 EDAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCCCNS(C)(=O)=O 48251808 OKQVVXKVJQOMAG-NSHDSACASA-N 331.413 1.467 0 40 EDAB COc1ccc(-c2nnc(SCC(=O)NC(C)(C)C)n2N)cc1 3406003 HFPYODMCGPVWBQ-UHFFFAOYSA-N 335.433 1.674 0 40 EDAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(Cl)cn1 3508343 NVWKPAQMSDWXCH-UHFFFAOYSA-N 347.758 1.647 0 40 EDAB CC(=O)NCc1ccc(C(=O)OCCN2C[C@@H]3CC[C@H](C2)O3)cc1 96012746 RJNIVIPQMAWPPJ-CALCHBBNSA-N 332.400 1.343 0 40 EDAB COc1ccc(OC[C@H](O)Cn2c(C)cc(=O)n3nc(C)cc23)cc1 12983448 PXSCDLNSKBRQNC-CQSZACIVSA-N 343.383 1.561 0 40 EDAB COc1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC 9244976 NPVWKDIPRDIXRL-BXKDBHETSA-N 328.415 1.357 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1ccccn1)C2=O 4057985 NDNKFJJPGJIJHH-UGSOOPFHSA-N 344.415 1.241 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 5034290 JNNRLJHDJYFQRH-UHFFFAOYSA-N 330.365 1.749 0 40 EDAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 6128299 FEXHVGXXLLJUGF-UHFFFAOYSA-N 328.324 1.624 0 40 EDAB CN(Cc1nc2c(cnn2C)c(=O)[nH]1)Cc1nc2ccccc2s1 65410861 CDZQCFKEWFFTER-UHFFFAOYSA-N 340.412 1.898 0 40 EDAB COCCN1CCC[C@H]1CNC(=O)CNC(=O)OCc1ccccc1 65515012 ZSVCSELNZRLBBO-INIZCTEOSA-N 349.431 1.140 0 40 EDAB COc1cccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)c1 113967121 AYJHOXFPLFZBBY-UHFFFAOYSA-N 328.434 1.766 0 40 EDAB CON(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C)CC2)cc1 14186496 MQDMFYRMYYRFIH-UHFFFAOYSA-N 326.418 1.741 0 40 EDAB CC1(C)OC[C@H]2O[C@@H](Oc3cccc4ccccc34)[C@H](O)[C@@H](O)[C@@H]2O1 4668766 TZRJENHGCGQROP-DUQPFJRNSA-N 346.379 1.817 0 40 EDAB Cc1nn(C)c2ncc(C(=O)O)c(N3CCO[C@H](C(F)(F)F)C3)c12 71765506 PUWNJMOXPHGGEP-VIFPVBQESA-N 344.293 1.742 0 40 EDAB NC(=O)CN1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 96496463 ZHJCGDHJAAYLDM-RYUDHWBXSA-N 347.312 1.147 0 40 EDAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(C(N)=O)cn2)cc1 95398110 XSFPJEDOELNGCQ-AWEZNQCLSA-N 343.339 1.135 0 40 EDAB C[C@H](C(=O)N[C@@H](c1ccc(F)cc1)c1ccccn1)S(C)(=O)=O 95396365 ZOFUTYXCTSFZCQ-ABAIWWIYSA-N 336.388 1.859 0 40 EDAB C[C@H](O)CN1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1 71871186 UTMHNCZYXHLJBQ-NSHDSACASA-N 330.787 1.383 0 40 EDAB CC[C@H]1CN(CCC(=O)N2CCc3ccccc32)CCN1C[C@@H](C)O 71877545 SNCOEHLZUXRVLJ-AEFFLSMTSA-N 345.487 1.743 0 40 EDAB OCc1nc2ccccc2n1C[C@H](O)CN1CCc2ccccc2C1 71824988 SQQOHXRXHJTSOA-QGZVFWFLSA-N 337.423 1.948 0 40 EDAB CCCCn1c(N)c(N(CC)C(=O)c2cccc(F)c2)c(=O)[nH]c1=O 7654378 HXCBSFMULSOCMU-UHFFFAOYSA-N 348.378 1.725 0 40 EDAB O=C(NCCOc1ccc2c(c1)OCO2)c1ccnc(C2CC2)n1 71899743 MBIWVGRIKBMSOC-UHFFFAOYSA-N 327.340 1.892 0 40 EDAB C[C@@H](Sc1nnnn1C1CC1)C(=O)NC(=O)NCc1ccccc1 16375918 JXNSTSFUAGWLPD-SNVBAGLBSA-N 346.416 1.515 0 40 EDAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C)CC1 68821674 JKKDGPHFEXVGOW-PWSUYJOCSA-N 343.449 1.607 0 40 EDAB O=C(Cc1cn2ccsc2n1)Nc1ccc(-n2cnnn2)cc1 8129718 UNPSXSPHOPEBNW-UHFFFAOYSA-N 325.357 1.553 0 40 EDAB CCCS(=O)(=O)[C@@H](C)C(=O)Nc1cccnc1N1CCCC1 71903442 WLZZDPBZCJECGP-LBPRGKRZSA-N 325.434 1.834 0 40 EDAB COC(=O)c1ccnc(NC(=O)CNC(=O)COc2ccccc2)c1 71907933 SIGDCEZRRNSULO-UHFFFAOYSA-N 343.339 1.002 0 40 EDAB COC(=O)[C@H](CC(C)C)OC(=O)c1ccc(N2CCNC2=O)cc1 71913705 ZPFUWTCHFAOONX-AWEZNQCLSA-N 334.372 1.961 0 40 EDAB O[C@@H](CN1CCC(c2nnc3ccccn23)CC1)Cn1cccn1 71900503 XBZKBAFSNMVSDM-HNNXBMFYSA-N 326.404 1.166 0 40 EDAB CC(=O)N1CCC(NC(=O)Cn2cc(-c3ccccc3)cn2)CC1 69493518 IJFIJKAOHUCEAX-UHFFFAOYSA-N 326.400 1.677 0 40 EDAB c1ccc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)nc1 69416504 CMPQTFHHEGVDTJ-UHFFFAOYSA-N 326.448 1.717 0 40 EDAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(c2ncnc3[nH]ncc23)C1 69419253 LVPPMFBBDYBPFE-GFCCVEGCSA-N 341.350 1.892 0 40 EDAB CCc1noc([C@H](C)N2CCN(CC(=O)N3CCC[C@@H](C)C3)CC2)n1 69420739 VMMZLGHJCPRBQA-CABCVRRESA-N 349.479 1.569 0 40 EDAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H]1CC(=O)N(C)C1 69571265 LILKLZKHBDZMOJ-NXEZZACHSA-N 330.306 1.820 0 40 EDAB CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(N2CCCC2)cn1 69532860 DZOGMCQNXASEEL-CYBMUJFWSA-N 334.445 1.932 0 40 EDAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccnc1OC 69620492 XCHVDKXGMHYPBF-OCCSQVGLSA-N 341.367 1.710 0 40 EDAB CCS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC)cc1 69740357 UWKJRJJDPZOMNU-ZDUSSCGKSA-N 340.401 1.650 0 40 EDAB COc1ccc(-c2nc(CN[C@H]3CCc4ncnn4C3)no2)cc1 69779230 RIPWSUMADPSIFC-LBPRGKRZSA-N 326.360 1.441 0 40 EDAB COCc1nc(C(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)cs1 69771339 QHMGTALXCOICRG-ZDUSSCGKSA-N 341.477 1.454 0 40 EDAB C[C@@H](O)CN1CCC(CNCc2nc(-c3cccnc3)no2)CC1 69949939 ODUOVFRRLWIUJX-CYBMUJFWSA-N 331.420 1.314 0 40 EDAB Cc1cc(C)n([C@H](C)CC(=O)N2CCCN(c3cccnn3)CC2)n1 69946791 OADLTEKGGRGACH-MRXNPFEDSA-N 342.447 1.980 0 40 EDAB CN(c1ccccc1)C1CCN(C(=O)NCc2ncn(C)n2)CC1 92377588 VLESXKNFNUIOSW-UHFFFAOYSA-N 328.420 1.626 0 40 EDAB Cn1cc(S(=O)(=O)N2CCc3sccc3C2)cc1C(=O)O 19231918 HGAALBRRQHYCKU-UHFFFAOYSA-N 326.399 1.532 0 40 EDAB Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)ccc1-n1cncn1 72297131 KCNOZHGKKACBGZ-MRXNPFEDSA-N 349.394 1.402 0 40 EDAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ncnc2c1cnn2C 97139576 ZHSWBOLQAQQTCS-NSHDSACASA-N 345.428 1.964 0 40 EDAB C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N(C)CCN1CCCC1=O 72309567 HHMSUOFCDNQXQB-CYBMUJFWSA-N 341.452 1.570 0 40 EDAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1cnn(C)c1 95954634 KTNYAUQPUAKDTO-KRWDZBQOSA-N 326.400 1.572 0 40 EDAB CC(=O)NCC1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 95954249 DPSWWXMXZIRDDT-UHFFFAOYSA-N 327.388 1.256 0 40 EDAB C[C@H](O)c1cn(C2CN(C(=O)C3(c4cccc(F)c4)CCC3)C2)nn1 95998058 LGRFOFWKLHNKFD-LBPRGKRZSA-N 344.390 1.976 0 40 EDAB CCc1n[nH]c([C@@H]2CN(C[C@H](O)COCc3ccccc3)CCO2)n1 89289830 VZFXTKDABIQZBK-HOTGVXAUSA-N 346.431 1.318 0 40 EDAB CC[C@H]1CCCCN1C(=O)[C@H](C)NCC1CCN(CCO)CC1 75131179 XWBXZWJXELLZHT-RDJZCZTQSA-N 325.497 1.460 0 40 EDAB O=C1C[C@H](C(=O)Nc2ccc(Br)cc2)n2ncnc2N1 66087767 QHIALDYEGFUVKH-SECBINFHSA-N 336.149 1.563 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCC(N2CCCNC2=O)CC1 89866693 UIHHZSAOYUKIRJ-UHFFFAOYSA-N 327.388 1.583 0 40 EDAB CCC1(CNC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CCC1 89948173 WPKIAQTYGGGMPK-CQSZACIVSA-N 336.480 1.561 0 40 EDAB COCCNC(=O)c1ccc(N[C@H]2CCN(CC(F)(F)F)C2)nc1 75610910 IYQDCPNGRZEHIU-LBPRGKRZSA-N 346.353 1.506 0 40 EDAB CN(C)c1cc2c(nn1)CCN(C(=O)c1c[nH]nc1-c1ccncc1)C2 75603318 WKTHLTJGAZNUGT-UHFFFAOYSA-N 349.398 1.526 0 40 EDAB Cc1[nH]nc(C(F)(F)F)c1C(=O)N[C@H]1Cc2cccnc2NC1=O 1548801415 OJAUEAAWTCMXGQ-QMMMGPOBSA-N 339.277 1.425 0 40 EDAB COCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408707695 CEATXVBKSSBICN-UHFFFAOYSA-N 333.388 1.060 0 40 EDAB O=C(Nc1cccc(OC(F)F)c1)C1CN(S(=O)(=O)C2CC2)C1 70839155 HXNFOYIUXMRSEE-UHFFFAOYSA-N 346.355 1.651 0 40 EDAB O=C(c1cc(Br)c(Br)[nH]1)N1CCNCC1 217655107 GSZHJSDQBQICMY-UHFFFAOYSA-N 337.015 1.585 0 40 EDAB CO[C@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)c1ccccc1 79310544 XSRJXIFARBSNQG-HNNXBMFYSA-N 338.473 1.333 0 40 EDAB COc1cccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)c1 75162119 FWYBMYUTEYGKHK-UHFFFAOYSA-N 334.401 1.886 0 40 EDAB CN1CCN(Cc2cccc(C(=O)NC[C@H]3CCCC[C@H]3O)c2)CC1 73932610 FXQGLKLEOKLWPN-RTBURBONSA-N 345.487 1.715 0 40 EDAB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)CN)cc1 218524486 GPAMHLUBMHNDQF-OKZBNKHCSA-N 330.453 1.899 0 40 EDAB CCn1ccnc1S(=O)(=O)Cc1cc(F)cc2c1OCOC2 78602736 CTPMOFHZPMJVFA-UHFFFAOYSA-N 326.349 1.883 0 40 EDAB CN(C)c1ccc(S(=O)(=O)N[C@@](C)(CO)c2ccccc2)cc1 195580612 VXJCTWBPYLUFNI-KRWDZBQOSA-N 334.441 1.939 0 40 EDAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1S(N)(=O)=O 223037827 KTXSFNQODWAGSJ-UHFFFAOYSA-N 342.323 1.873 0 40 EDAB CC(C)(Br)C(=O)Nc1nnc(SCC(N)=O)s1 44790655 CEIDRMHAGOAVJP-UHFFFAOYSA-N 339.240 1.228 0 40 EDAB Cn1ccnc1CN1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 97377449 AUBASTOXXCZEEL-UHFFFAOYSA-N 336.342 1.362 0 40 EDAB CCN1C[C@@H](C(=O)N2CC[C@@H](COCc3ccccc3)C2)CC1=O 96426030 ZPWCVJUSADQNRV-SJORKVTESA-N 330.428 1.920 0 40 EDAB O=c1ccc2c(n1CCn1cccn1)CC[C@@H](NCc1ccco1)C2 96067691 WYBRSXUSEYYMLS-MRXNPFEDSA-N 338.411 1.985 0 40 EDAB Cc1nc([C@@H]2COCCN2S(=O)(=O)c2cccnc2)cs1 96217934 VYEMLCZTCAAPGR-ZDUSSCGKSA-N 325.415 1.609 0 40 EDAB O=C(c1ccc(-n2ccnc2)cc1)N1CC[C@H](CN2CCOCC2)C1 96426627 NZXBSUMJLYSQEU-MRXNPFEDSA-N 340.427 1.667 0 40 EDAB Fc1cnc(N2CCC[C@]3(CN(Cc4cccnc4)CCO3)C2)nc1 96226581 QKCITDDPUDFHMJ-SFHVURJKSA-N 343.406 1.882 0 40 EDAB CC(=O)N1CC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)C(C)C)CC[C@@H]12 96145267 YWEQVSJOQZUSDI-APWZRJJASA-N 349.475 1.494 0 40 EDAB CC(C)n1ccc(CNC(=O)N2CCN(Cc3ccon3)CC2)n1 96440720 CPXPRDUTMCNCJR-UHFFFAOYSA-N 332.408 1.479 0 40 EDAB CN1C(=O)CCC[C@@]12CCCN(S(=O)(=O)c1cccs1)C2 96229746 BHEFJRYTWBLGQU-AWEZNQCLSA-N 328.459 1.914 0 40 EDAB Cc1ccc(CN2CCc3nnc(CN4CCCC4=O)n3CC2)o1 96058968 LCKAECWAJQBXCW-UHFFFAOYSA-N 329.404 1.360 0 40 EDAB Cc1nn(C)c2n[nH]c(NC(=O)c3nn(-c4ccccc4)cc3O)c12 96436551 JVXKEGFWPSLOBR-UHFFFAOYSA-N 337.343 1.748 0 40 EDAB CC(C)NC(=O)C[C@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2O1 96217582 RFMBORFXIIQKKS-HDMKZQKVSA-N 346.427 1.919 0 40 EDAB Cc1ccc(CN2CC[C@H]3[C@H](CC(=O)N4CCOCC4)OC[C@H]3C2)o1 96206169 YCKGVGWGSWOTTI-NXHRZFHOSA-N 348.443 1.674 0 40 EDAB Cn1cc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)cn1 96071245 SKQMZOVKZBPPCV-LJQANCHMSA-N 339.443 1.972 0 40 EDAB Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3c(F)cccc3F)C2)cn1 96410804 FDDMKLSMKNGYSN-JTQLQIEISA-N 349.341 1.032 0 40 EDAB COCCN1CCN(C(=O)NCc2cccnc2)Cc2cccnc21 96198860 KAYHKYNUNSGBQV-UHFFFAOYSA-N 341.415 1.655 0 40 EDAB CCn1ccnc1CN(Cc1cncnc1)[C@@H]1CC12CCNCC2 583621908 PRXRVFCURCUCQC-MRXNPFEDSA-N 326.448 1.837 0 40 EDAB CN1CCN([C@@H]2COC3(CCN(CC4CCOCC4)CC3)C2)CC1 96048869 NFWVPHQJSQJUAO-SFHVURJKSA-N 337.508 1.284 0 40 EDAB Cc1cnc(C(=O)N2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)cn1 96064615 PPQFRBWKBKHBHJ-PVAVHDDUSA-N 331.416 1.974 0 40 EDAB CN(C)[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 604382050 AZPOASJDRNAJFN-QBPKDAKJSA-N 328.416 1.001 0 40 EDAB biogenic,in-vitro Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 585138224 WRRKAJJLIQFYEC-UWVGGRQHSA-N 331.365 1.630 0 40 EDAB COc1ccsc1S(=O)(=O)NC[C@@H](CO)Cc1cccnc1 585114571 JXNRLOTZQLXVGI-LBPRGKRZSA-N 342.442 1.281 0 40 EDAB CC[C@@H]1C[C@H]1NS(=O)(=O)c1cnn2cc(Br)cnc12 585115488 CHKWSOKHGMIRGC-VXNVDRBHSA-N 345.222 1.569 0 40 EDAB CCOC(=O)c1cnc(NCc2nc(C)c(C(N)=O)s2)nc1C 585142405 WMJWXPAHXNAHTK-UHFFFAOYSA-N 335.389 1.438 0 40 EDAB Cc1noc(C)c1CC(=O)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 257278377 OCACGMFNMMWJFM-IRXDYDNUSA-N 345.399 1.660 0 40 EDAB Cc1cc(-c2nccnc2[C@H]2CCCN2S(=O)(=O)N(C)C)[nH]n1 257269168 MOVZJRLBUZFBQG-GFCCVEGCSA-N 336.421 1.118 0 40 EDAB COc1ccc(NS(=O)(=O)C[C@H](C)OC)cc1N1CCCC1=O 252509317 YKWZMLCSMQNJGG-NSHDSACASA-N 342.417 1.599 0 40 EDAB CCOC(=O)[C@]1(N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)CC 252516682 VXJOXLVIIQPCPT-BZPMIXESSA-N 331.821 1.501 0 40 EDAB COC(=O)[C@H](C)[C@H](C)S(=O)(=O)NC(=O)c1ccc(Cl)cc1C 252495949 PDUGPJCAQJKSHS-ZJUUUORDSA-N 347.820 1.906 0 40 EDAB CNc1nccnc1C[C@@H]1CCCN(C(=O)Cn2cc(C)cn2)C1 257274082 NJKUDCSJSASUEK-AWEZNQCLSA-N 328.420 1.505 0 40 EDAB CN1CCn2c(nnc2[C@H]2CCCCN2C(=O)c2ccccn2)C1 257208603 BMVQBDLETRPGDW-CQSZACIVSA-N 326.404 1.486 0 40 EDAB Cc1cnn(CC(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)c1 257341155 ZJAVRQWFZHRKMP-QGZVFWFLSA-N 329.404 1.714 0 40 EDAB CC(C)N(C)C(=O)[C@H](C)Sc1nnnn1-c1ccc2c(c1)OCO2 266994721 AQZAGUMPYNCERA-JTQLQIEISA-N 349.416 1.738 0 40 EDAB COc1ccc(CC(C)(C)NC(=O)[C@@H]2CCc3nnc(O)n3C2)cc1 1615591283 SXSJPWWUBAWGOK-CYBMUJFWSA-N 344.415 1.692 0 40 EDAB COc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)nn1C 1615589260 APNWRGRZTQMXQY-UHFFFAOYSA-N 343.309 1.771 0 40 EDAB NS(=O)(=O)N1CCC(NCc2csc3ccccc23)CC1 1615551989 RUUUVFVGHYGLNA-UHFFFAOYSA-N 325.459 1.659 0 40 EDAB O[C@H]1CCN(C[C@@](O)(c2ccc(Br)cc2)C(F)F)C1 1615588895 ULMUWZUOJHGCTQ-WCQYABFASA-N 336.176 1.968 0 40 EDAB Cn1ccnc(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)c1=O 1615612738 MYJGASUKVUWRAS-UHFFFAOYSA-N 340.383 1.659 0 40 EDAB Cc1nccn1CC(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 585276637 GTJPJIXOEKHAQC-GOSISDBHSA-N 329.400 1.024 0 40 EDAB CC(C)C(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 585095723 FXPPQMNAZLJOFP-CQSZACIVSA-N 330.388 1.722 0 40 EDAB CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCc1ccc2c(c1)OCCCO2 677960954 VBPFXFBMURNPJZ-ZIAGYGMSSA-N 347.415 1.562 0 40 EDAB CCN(C(=O)[C@H]1COc2ccccc2C1)[C@H](C)CS(=O)(=O)CC 69950530 JBWNKOIEFSIOEF-UKRRQHHQSA-N 339.457 1.909 0 40 EDAB COC(=O)C[C@@H](C)NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 72284743 DMEKMXSAHSEHEP-SECBINFHSA-N 325.752 1.859 0 40 EDAB Cc1ccc(N2CC[C@@H](NC(=O)c3ccn(C)c(=O)c3)C2=O)cc1 72295484 WVALDGBFVFJHTF-OAHLLOKOSA-N 325.368 1.229 0 40 EDAB CC(C)[C@H](NC(N)=O)C(=O)NCc1ccccc1OC(F)(F)F 44891584 SQAQXPKBTJMSLD-NSHDSACASA-N 333.310 1.894 0 40 EDAB COc1nccnc1N(C)CC1CCN(c2ncc(F)cn2)CC1 1776009565 IZHGZDJNTDPSKY-UHFFFAOYSA-N 332.383 1.767 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)n(C)c1 76022785 RWYGSRUAEQSWDH-RYUDHWBXSA-N 327.450 1.584 0 40 EDAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1noc2ccccc12 96375477 RMXSDHPFNXSHOF-FUNVUKJBSA-N 348.424 1.937 0 40 EDAB CN1CCCN(C(=O)[C@@H]2CN(C)[C@H]3c4cc(F)ccc4OC[C@@H]23)CC1 1772595540 DSJHOFLIXDMPLE-RYRKJORJSA-N 347.434 1.601 0 40 EDAB CC[C@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)O 5461458 RKKAECASDDATIR-OUCADQQQSA-N 336.388 1.917 0 40 EDAB CSCC[C@@H](N[C@@H](CC(=O)c1ccc(C)cc1)C(=O)O)C(=O)O 12651535 YLFWSRFHTUMACM-OLZOCXBDSA-N 339.413 1.817 0 40 EDAB Cc1cc(C(=O)N2CCc3c(O)nc(-c4cnccn4)nc3C2)on1 13225901 YYIQIGHUOIQBNP-UHFFFAOYSA-N 338.327 1.134 0 40 EDAB O=C(Nc1nccs1)C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 14026161 ZNUNREQKKLJMIK-UHFFFAOYSA-N 332.385 1.322 0 40 EDAB COc1ccccc1CN1CCN(c2ncc3c(n2)CCOC3)CC1 19570510 OIMUINJTTOCXEY-UHFFFAOYSA-N 340.427 1.880 0 40 EDAB CCn1cncc1C(=O)N1CCO[C@@](C)(C(=O)NC2CCCC2)C1 19746960 BVSHDJXVMFZZBO-QGZVFWFLSA-N 334.420 1.193 0 40 EDAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCCO2)NCC(F)(F)F 5306759 USESVTXQFVKZNT-DUXPYHPUSA-N 345.273 1.693 0 40 EDAB COc1cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)ccc1F 159305117 WSBFVQMGNQINNX-AWEZNQCLSA-N 336.363 1.344 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCC[C@H](Oc3cccnn3)C2)CC1 225452559 TYWFWAQDESGYHY-HNNXBMFYSA-N 332.404 1.105 0 40 EDAB O=C(O)[C@H](C[C@H]1CCOC1)NS(=O)(=O)Cc1cccc(Cl)c1 517748389 VAQXFIUSZGNWLY-MFKMUULPSA-N 347.820 1.639 0 40 EDAB C[C@H]1C(=O)NCCCN1C(=O)c1cnc(Oc2ccccc2)cn1 530415523 NZEGEPRGNGAOED-LBPRGKRZSA-N 326.356 1.620 0 40 EDAB Cc1ccc(NC(=O)C[C@H](C(=O)O)N2CCN(C)CC2)cc1Cl 19938596 RQWVRIQBWAZPPE-CQSZACIVSA-N 339.823 1.678 0 40 EDAB Cc1c(Cl)cccc1NC(=O)C[C@@H](C(=O)O)N1CCNCC1 22592715 LQKGNPSXUOLXGM-ZDUSSCGKSA-N 325.796 1.335 0 40 EDAB CCOc1ccc2oc(C(=O)O[C@@H](C)C(=O)NC(N)=O)c(C)c2c1 3523205 LNCGGOCMMGIYDJ-VIFPVBQESA-N 334.328 1.880 0 40 EDAB O=C(CN1CCCCCC1=O)NCCc1ccc2c(c1)OCCO2 5938258 FZCYBQWYYKZUDA-UHFFFAOYSA-N 332.400 1.519 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N3C[C@H](C)C[C@@H](C)C3)nc2n1 6057321 IARXOHQCZAYUGX-GHMZBOCLSA-N 345.403 1.402 0 40 EDAB O=C(c1ccc2c(c1)OCCO2)N1CC[C@](O)(CN2CCCC2)C1 1848352424 BBRCQRPTJBNLBL-SFHVURJKSA-N 332.400 1.131 0 40 EDAB C[S@@](=O)c1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1 25834917 URVNUPRXTAXXCK-QHCPKHFHSA-N 330.413 1.176 0 40 EDAB Cn1cnc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)c1 2037905595 NHUAHDVHCYPABD-GOSISDBHSA-N 347.390 1.995 0 40 EDAB CCn1ncc(C(=O)N2CCO[C@]3(CCCCN(C)C3=O)C2)c1C 2037985693 SHNICXJPRZFIBZ-QGZVFWFLSA-N 334.420 1.065 0 40 EDAB CS(=O)(=O)CCC(=O)N[C@@H]1CCCn2cnc(-c3ccccc3)c21 1614941081 JKZYKASFSQFTFP-CQSZACIVSA-N 347.440 1.936 0 40 EDAB Cn1cnc(C(=O)N2C[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc23)n1 1565550357 AHOWOCILYNGJHL-YPMHNXCESA-N 339.403 1.280 0 40 EDAB O=C(Cc1ccc(F)cn1)N1C[C@@H]2CCN(Cc3cccnc3)[C@@H]2C1 1565542756 NPGNWUMXZBUBIH-MAUKXSAKSA-N 340.402 1.891 0 40 EDAB COCC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(SC)c1 265538607 JJZFAXPYQQYJJX-OAHLLOKOSA-N 326.418 1.251 0 40 EDAB CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(N)n2)nc1C 15083530 TWXXYWQRYCPGIL-UHFFFAOYSA-N 342.406 1.059 0 40 EDAB Cc1ccc(C(=O)N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCC3CC3)C2)o1 2055747272 RZHCFWCEHQPTLE-OFQRWUPVSA-N 332.400 1.591 0 40 EDAB O=S(=O)(N1CCOCC1)N1CCS[C@H](c2cccs2)CC1 219558650 WSVOQYKHKYFGLG-ZDUSSCGKSA-N 348.515 1.805 0 40 EDAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(C)(C)OC(C)=O 225711288 SJYXJUHAIPXSPJ-GOSISDBHSA-N 335.400 1.677 0 40 EDAB Cc1cccc(S(=O)(=O)NCCC(=O)N2Cc3cccnc3C2)c1 585392569 GXPXDHKWUDVKFB-UHFFFAOYSA-N 345.424 1.601 0 40 EDAB COCCN1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1 585500214 CPUYACBCIUAHLK-UHFFFAOYSA-N 328.416 1.664 0 40 EDAB Cc1n[nH]c(C)c1CCC(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1 225802681 FQXXFCZYGXXZRC-UHFFFAOYSA-N 342.359 1.014 0 40 EDAB COc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1Br 50242481 JAZMBEUFCMZGSQ-QMMMGPOBSA-N 335.223 1.179 0 40 EDAB CN(Cc1ccccc1Br)S(=O)(=O)N1CCOCC1 40488200 GNMZBHJFUAHUNS-UHFFFAOYSA-N 349.250 1.458 0 40 EDAB CN(C)c1nc(N)nc(CS(=O)(=O)c2ccc(F)c(Cl)c2)n1 40540019 SMKURDHTUFNKCQ-UHFFFAOYSA-N 345.787 1.286 0 40 EDAB CCN(CC(=O)NC)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C 40539468 VILJYAGOEZTWCO-UHFFFAOYSA-N 329.404 1.362 0 40 EDAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H](NC(N)=O)C(C)C)cn2)n1 40529414 YNVIQHLBKMYHJT-CQSZACIVSA-N 330.392 1.516 0 40 EDAB CCN1CCc2c(sc3c2c(N2CCCC2)nc2nnnn23)C1 20503820 BOZIPMVWSSOKGB-UHFFFAOYSA-N 329.433 1.712 0 40 EDAB CCOC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 21322185 MBFLFAIJLLVABS-UHFFFAOYSA-N 340.401 1.004 0 40 EDAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCC[C@H]1CN(C)C 102490815 CZOUOSKBKGCARH-WMZOPIPTSA-N 329.444 1.907 0 40 EDAB NC(=O)c1ccc(S(=O)(=O)NCc2nc3ccccc3s2)cc1 32837457 DQFUEHQQWCUVSG-UHFFFAOYSA-N 347.421 1.874 0 40 EDAB CCS(=O)(=O)N1CCN(CCCc2ccccc2OC)CC1 41345666 UNOCIOFEBRWYFN-UHFFFAOYSA-N 326.462 1.595 0 40 EDAB Cc1ccc(Cl)cc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 423266 DPFGMTPQNICBPM-UHFFFAOYSA-N 329.765 1.134 0 40 EDAB O=C1CCC(=O)N1CCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 53358132 DMARDQVJXCMGNM-AWEZNQCLSA-N 340.383 1.766 0 40 EDAB C[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NCC(F)(F)F 23628694 XOGUSTNAEGUIFP-QMMMGPOBSA-N 339.339 1.537 0 40 EDAB Cc1nc(NC(=O)CNC(=O)C(C)(C)C)sc1-c1nccn1C 23876421 JNQVVOOBSQVZAL-UHFFFAOYSA-N 335.433 1.953 0 40 EDAB C[C@@H](C(=O)NCc1ccnc(OCC(F)(F)F)c1)n1cncn1 43109287 LUOKULQRKABCBT-VIFPVBQESA-N 329.282 1.492 0 40 EDAB CCc1nc(CN(C)[C@H]2CCN(CC(=O)Nc3cc(C)no3)C2)no1 78891488 VTMRHOKPPJQVIV-LBPRGKRZSA-N 348.407 1.073 0 40 EDAB C[C@H](C(N)=O)N1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 78878311 KHFYCPMHRGELTB-GFCCVEGCSA-N 344.390 1.452 0 40 EDAB CCOC(=O)[C@H]1[C@@H](c2ccccc2)NC(=S)N[C@]1(O)C(F)(F)F 3901553 MOODWPVZKBDFAL-GIPNMCIBSA-N 348.346 1.636 0 40 EDAB COc1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(OC)c1OC 12598949 DKHBMTXNTLAWBM-HNNXBMFYSA-N 343.401 1.019 0 40 EDAB CCn1cc(NC(=O)N2CCC(c3nnc4n3CCC4)CC2)cn1 56501210 YQAUEAPWWCPJMI-UHFFFAOYSA-N 329.408 1.852 0 40 EDAB CNC(=O)C1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 43727283 DNNPPMKCIATRTJ-UHFFFAOYSA-N 345.321 1.621 0 40 EDAB CC(C)OCCCNC(=O)CN(c1ccccc1F)S(C)(=O)=O 6344651 HAVPNTBNXLXBAI-UHFFFAOYSA-N 346.424 1.523 0 40 EDAB C[C@@H](CCNC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)[S@@](C)=O 108145489 VYGNRWKCCRVOCF-AUWXTCHYSA-N 343.415 1.422 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CC[C@]2(O)CCCC[C@H]2C1 71328976 KRVHHBFEEKZFCG-WMLDXEAASA-N 327.388 1.430 0 40 EDAB NC[C@H]1CCCCN1S(=O)(=O)c1ccccc1Br 44556204 AWWYUDWYAFXOSM-SNVBAGLBSA-N 333.251 1.951 0 40 EDAB CN(C)C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 8341852 RFHNALOJLAFIPQ-UHFFFAOYSA-N 329.385 1.289 0 40 EDAB C[C@@H](Nc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)NC(N)=O 58194725 HGWVIPHGJRUNCS-MWLCHTKSSA-N 341.795 1.893 0 40 EDAB COc1cccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)c1OC 44890377 QSLHQZSXZQBESQ-UHFFFAOYSA-N 345.399 1.958 0 40 EDAB CN(C)[C@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1ccco1 44891218 VSIXXWVTVNIZDN-CQSZACIVSA-N 344.419 1.204 0 40 EDAB CCn1nnc2cc(C(=O)N3CCN(c4nccs4)CC3)ccc21 10269727 IQCWNAVUTXFGGE-UHFFFAOYSA-N 342.428 1.870 0 40 EDAB O=C1NCCN(S(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 58208831 AVCPBHUUAQXNFR-OAHLLOKOSA-N 334.372 1.688 0 40 EDAB O=C1C[C@@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccc(F)cc1 58201592 LGVQEIANXDGBIA-MLGOLLRUSA-N 339.388 1.448 0 40 EDAB COCCN1C(=O)C=C(Nc2ccccc2Br)C1=O 20744958 CVCBMCLGVMWLMN-UHFFFAOYSA-N 325.162 1.760 0 40 EDAB CC(C)(C)CC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 58316132 KHULCBMCUUQYFZ-UHFFFAOYSA-N 332.448 1.673 0 40 EDAB CN(CCCNS(C)(=O)=O)Cc1ccc(Br)s1 58440597 IWARNRGKMFLHHV-UHFFFAOYSA-N 341.296 1.882 0 40 EDAB O=S(=O)(N[C@H]1COc2ccccc21)c1ccc2c(c1)OCCO2 58507233 PWBGSAXIGSNWPD-ZDUSSCGKSA-N 333.365 1.870 0 40 EDAB COc1ccc(OC)c([C@@H](O)Cn2c(=O)[nH]c3ccccc3c2=O)c1 36390537 QCDRJFCWDOVLBO-HNNXBMFYSA-N 342.351 1.441 0 40 EDAB CC(C)n1nnnc1CN1CCOC[C@@H]1CC(=O)c1cccs1 97096041 BSFHXXWJXTYKSC-LBPRGKRZSA-N 335.433 1.789 0 40 EDAB CCOC(=O)C(=O)Nc1c(C(=O)OCC)[nH]c2ccc(OC)cc12 2315853 BTBVHOJSMPZIBD-UHFFFAOYSA-N 334.328 1.855 0 40 EDAB CN(C)CCCN[C@@H](C(=O)O)c1cn(CC(=O)O)c2ccccc12 104897311 GUSFBEUMRFFXFH-MRXNPFEDSA-N 333.388 1.393 0 40 EDAB CS(=O)(=O)Nc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 11361968 GLXOPZRVCGGSJZ-UHFFFAOYSA-N 331.357 1.582 0 40 EDAB CN1N=C(C(=O)N[C@H](c2ccccc2)c2nccn2C)CCC1=O 29070162 CJXUTYVUHDIJGU-OAHLLOKOSA-N 325.372 1.234 0 40 EDAB O=S(=O)(NC[C@H]1CCOC1)c1ccccc1OC(F)(F)F 45743131 HYEJIFXLFDHTQQ-SECBINFHSA-N 325.308 1.900 0 40 EDAB Cc1ccc(Cn2c(=O)c(=O)n(CCC(=O)O)c3ccccc32)cc1 45795982 DFMRRIAVKBELQY-UHFFFAOYSA-N 338.363 1.995 0 40 EDAB O=C(NCCc1nnc2ccccn12)c1ccc(-n2cccn2)cc1 11546751 CATCVASHLSFYBJ-UHFFFAOYSA-N 332.367 1.888 0 40 EDAB CN(C)[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1ccccc1Cl 46033804 ZFUKXPGOIATYGI-AWEZNQCLSA-N 342.852 1.655 0 40 EDAB Cc1cc(C)n2nc(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)nc2n1 3542215 CAAJAJCKKHPXSW-VXGBXAGGSA-N 345.403 1.687 0 40 EDAB CCc1nnc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)s1 12982043 PHNKVBIIVFAWSR-SECBINFHSA-N 332.385 1.853 0 40 EDAB CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C 408708501 JCKIPJPUMUYBPB-UHFFFAOYSA-N 339.395 2.000 0 40 EDAB Cc1ccc(C(=O)O)cc1S(=O)(=O)NCc1nnc2ccccn12 13249233 OQBYNQYSYOSKJZ-UHFFFAOYSA-N 346.368 1.214 0 40 EDAB COC(=O)c1sc(NC(=O)C2CCN(C(C)=O)CC2)nc1C 13323783 SJPRVHGWPRLKJM-UHFFFAOYSA-N 325.390 1.435 0 40 EDAB O=C(C[C@@H](CN1CCC(O)CC1)C(=O)O)Nc1ccc(Cl)cc1 71284348 WKDQGYRPKFHBNN-NSHDSACASA-N 340.807 1.826 0 40 EDAB O=C(Cn1cnnn1)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 64300141 JQEFPOWHBPYBQI-UHFFFAOYSA-N 346.354 1.764 0 40 EDAB NC(=O)c1ccc(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)cc1 5089038 LMAUQYMLMYXTSJ-UHFFFAOYSA-N 340.318 1.217 0 40 EDAB O=C1c2ccccc2N2C(=O)CC[C@]2(C(=O)O)N1Cc1ccco1 4206978 VYRSDMYXIBQWTJ-KRWDZBQOSA-N 326.308 1.843 0 40 EDAB COCCN(CCc1ccccc1)Cc1nc2c(cnn2C)c(=O)[nH]1 65419060 IBISWRFAQQPARI-UHFFFAOYSA-N 341.415 1.348 0 40 EDAB Cc1csc(N2CCC(C(=O)NCCN3CCOCC3)CC2)n1 65412653 AUWKLNFQOSJWBU-UHFFFAOYSA-N 338.477 1.116 0 40 EDAB CCN(CC)CCC[C@@H](C)NC(=O)COc1ccc(CC(N)=O)cc1 65604576 GOVJHKYAJYSXAD-OAHLLOKOSA-N 349.475 1.720 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNS(=O)(=O)c2ccc3c(c2)COC3)C1 65622635 WZMKYHADFINYDO-OKILXGFUSA-N 338.473 1.973 0 40 EDAB C[C@@H]1Oc2ccc(NC(=O)CNC(=O)c3cccs3)cc2NC1=O 14167132 GLYBSBCSZMLVAV-VIFPVBQESA-N 345.380 1.836 0 40 EDAB CC(=O)NCC1CCN([C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)CC1 4753445 GOHPZXCWENDIBH-QGZVFWFLSA-N 343.427 1.475 0 40 EDAB Cc1ccc(CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 66485000 KQJGZHRPBOIZLR-KRWDZBQOSA-N 330.428 1.777 0 40 EDAB CC1CCN(C[C@H](O)CN2CCN(C(=O)C3CCCC3)CC2)CC1 66482915 FZQVGGONSVIRKF-SFHVURJKSA-N 337.508 1.414 0 40 EDAB CCCn1c(N)c(C(=O)CN2c3ccccc3C[C@@H]2C)c(=O)[nH]c1=O 6910412 MWZBGSKGSBQPOT-NSHDSACASA-N 342.399 1.163 0 40 EDAB C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@@H](c2ccccc2)O1 67830108 SYULENSVKLOSBU-WBVHZDCISA-N 346.427 1.614 0 40 EDAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCNC(=O)C1 7420584 XZNTZJJHKULVDR-SECBINFHSA-N 326.194 1.208 0 40 EDAB O=C(NCc1cccnc1)c1cccc(N2C(=O)CCS2(=O)=O)c1 15858499 PZCHKGJAYZFHBB-UHFFFAOYSA-N 345.380 1.078 0 40 EDAB C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)C[C@@H](C)O1 68716868 CXUWGSPDCYUCLV-MXWKQRLJSA-N 338.326 1.786 0 40 EDAB Cc1nn(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c(=O)c2ccccc12 71805044 AJKVROFNQQBFDO-IAGOWNOFSA-N 341.411 1.875 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)ccc1=O 71870368 HDVRPSQQTFXJCC-HOTGVXAUSA-N 332.448 1.742 0 40 EDAB O=S(=O)(N1CCCC1)N1CCN(Cc2cc3ccccc3o2)CC1 71856542 IHAAYDNSDFXEPX-UHFFFAOYSA-N 349.456 1.891 0 40 EDAB Cc1cc(C(=O)Nc2ccccc2OCCN2CCN(C)CC2)on1 71883027 PCMPZJMTMYSMHA-UHFFFAOYSA-N 344.415 1.862 0 40 EDAB CCCn1nc(C(=O)N2CCN(C(C)=O)CC2)c2ccccc2c1=O 16643474 FAXOHTMYBXMBMX-UHFFFAOYSA-N 342.399 1.111 0 40 EDAB CC(C)c1nnc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)o1 71892988 HSPXGIZECSJUIX-UHFFFAOYSA-N 349.479 1.569 0 40 EDAB Cc1noc(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)n1 69153732 OYHDSHAOIVVWSR-UHFFFAOYSA-N 338.415 1.882 0 40 EDAB Cc1cn2nc(NCc3cccnc3N3CCN(C)CC3)sc2n1 71833164 UVZUDFZNLOSLBC-UHFFFAOYSA-N 343.460 1.858 0 40 EDAB NC(=O)[C@@H]1CCCN(c2ccnc(C(=O)NCc3ccccc3)c2)C1 71857331 ADBZLNPFHZJCRD-OAHLLOKOSA-N 338.411 1.713 0 40 EDAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 8234606 YTKPMPVTKGMKAG-KGLIPLIRSA-N 336.432 1.579 0 40 EDAB O=C(CC[C@H]1CCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 70021619 GGYXYFFLGFAPEY-QZTJIDSGSA-N 332.444 1.823 0 40 EDAB CCOC(=O)c1cc(-c2ccccc2)nc2c1c(=O)[nH]c(=O)n2CC 8345984 KWVNMCMBYDPFJZ-UHFFFAOYSA-N 339.351 1.948 0 40 EDAB Cc1cnn(C[C@H]2CN(CC(=O)Nc3cc(C(C)C)no3)CCO2)c1 69421314 CYNYYDOBWOUSKV-CQSZACIVSA-N 347.419 1.642 0 40 EDAB CN(C)c1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 69564863 IKGDREJZWYOINK-UHFFFAOYSA-N 343.431 1.534 0 40 EDAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccccn2)C1=O 69528101 LPKKWSJXVFVSRF-PXAZEXFGSA-N 330.388 1.250 0 40 EDAB COC(=O)[C@H](C)N(C(=O)CCc1nc(-c2ccco2)no1)C1CC1 71905541 DAFOYKNFEQYRLN-JTQLQIEISA-N 333.344 1.815 0 40 EDAB O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)c1ccsc1 69669528 COHYSIYFQPDTHE-UHFFFAOYSA-N 333.417 1.995 0 40 EDAB C[C@H](NC(=O)[C@H](C)N1CCN(CCO)CC1)c1ccc(Cl)cc1 69656667 VZCIDSRBZUJJDZ-KBPBESRZSA-N 339.867 1.516 0 40 EDAB O=C(CS(=O)(=O)Cc1cccc2c1OCCO2)NC1CCCC1 69697333 GHLRTBNCLUTVIB-UHFFFAOYSA-N 339.413 1.431 0 40 EDAB Cc1nc(CN2CCC[C@H](NCc3nc(-c4ccco4)no3)C2)no1 69626467 RKGQLAMYSOEFBF-LBPRGKRZSA-N 344.375 1.775 0 40 EDAB C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CN(C)S(C)(=O)=O 71914781 WRBFUEXTJSLROR-LLVKDONJSA-N 332.853 1.621 0 40 EDAB C[C@@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)C(=O)NC(N)=O 69739821 HWLIIDIYTYPIFU-ZCFIWIBFSA-N 338.261 1.356 0 40 EDAB CCOc1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)cn1 69773787 WYNCGRBFPBVAIL-UHFFFAOYSA-N 343.431 1.562 0 40 EDAB O=C(CN1CCC[C@H](N2CCCC2)C1)NCCOc1cccc(F)c1 69946216 DSTVVBZVWZRCMA-KRWDZBQOSA-N 349.450 1.881 0 40 EDAB C[C@H](C(=O)NCc1cccs1)N1CCC[C@H](Cn2cncn2)C1 69917849 YDYDFPHFPUZCCV-KGLIPLIRSA-N 333.461 1.757 0 40 EDAB O=C1CC[C@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)N1 70694805 GBUFFQGMUALWHV-OAHLLOKOSA-N 335.835 1.699 0 40 EDAB OCCn1ncc2c(Nc3cnn(Cc4ccccc4)c3)ncnc21 97199740 VWJUVFVBKINUBU-UHFFFAOYSA-N 335.371 1.807 0 40 EDAB CCc1nnc2n1C[C@@H](N[C@H](C)C(=O)NCc1cccs1)CC2 97199539 UBBVNTMYCPQLPL-NEPJUHHUSA-N 333.461 1.511 0 40 EDAB Cc1nn(C)c(C)c1NC(=O)CN1CCC(c2cnn(C)c2)CC1 97202845 GANLFLTVBHQFCG-UHFFFAOYSA-N 330.436 1.589 0 40 EDAB O=C(CN1CCn2ccnc2C1)N1CCN(c2ccccc2)CC1 97201130 WKUZUNVIKZYZFS-UHFFFAOYSA-N 325.416 1.048 0 40 EDAB Cc1cc(N2CCC[C@@H](C(=O)N(CCO)CC(F)(F)F)C2)ncn1 95411585 IUVWWIBSGOTNLF-GFCCVEGCSA-N 346.353 1.385 0 40 EDAB O=C(NCCN1CCN(c2nc(C3CC3)ns2)CC1)C1CCC1 95408832 ZZYNQKOQNZTGDD-UHFFFAOYSA-N 335.477 1.454 0 40 EDAB CC[C@](C)(CC(=O)O)NC(=O)CCc1nc(-c2ccccn2)no1 95989452 DEMVGXGCQCFCKX-MRXNPFEDSA-N 332.360 1.824 0 40 EDAB Cn1ccc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)cc1=O 95976905 BIYFLQICKSURLA-AWEZNQCLSA-N 343.358 1.450 0 40 EDAB COc1cncc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 89484141 JZEDULHTQSPEDJ-HZPDHXFCSA-N 326.400 1.575 0 40 EDAB Cc1cc(NCCNC(=O)c2cc(C3CC3)on2)n2ncnc2n1 89598876 LURCDFZQAJQZHX-UHFFFAOYSA-N 327.348 1.140 0 40 EDAB NC(=O)c1c[nH]c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 75104133 NEZVKQLKNUSVCN-QPJJXVBHSA-N 338.411 1.585 0 40 EDAB C[C@@H](O)CN1CCN(C[C@H](O)c2ccccc2C(F)(F)F)CC1 75132629 HEKSZAGDUOZLMW-DOMZBBRYSA-N 332.366 1.737 0 40 EDAB Cc1cc(NC(=O)Cc2c(C)nc(-c3ccccn3)[nH]c2=O)no1 75121502 IFQGOPGSBDSMJU-UHFFFAOYSA-N 325.328 1.618 0 40 EDAB Cc1ccoc1C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 89701946 SQZPVRMSJYUGIM-INIZCTEOSA-N 344.411 1.786 0 40 EDAB Cc1n[nH]c(-c2cccc(CNC(=O)CNC(=O)C(C)(C)C)c2)n1 89999060 JLKRYYHJEVPEPA-UHFFFAOYSA-N 329.404 1.559 0 40 EDAB COCc1nc(C)cc(N[C@H]2CCCN(c3nc(C)cc(O)n3)C2)n1 1548520963 LOZOJMBLTHPWRO-ZDUSSCGKSA-N 344.419 1.816 0 40 EDAB CCN1CC[C@H](NC(=O)NC(C)C)c2ccccc2S1(=O)=O 306143420 YBYNRYFGYPQKPY-ZDUSSCGKSA-N 325.434 1.850 0 40 EDAB Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c(C)c1 408660483 QAXKIBAOMJAANN-ASZJLXIDSA-N 343.379 1.983 0 40 EDAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 32080813 AIHYTNGPSZZEAH-UHFFFAOYSA-N 347.396 1.853 0 40 EDAB CCOC(=O)c1cc(CC)sc1NC(=O)CN1CSCC1=O 26722483 STZVDKJSCRCQDI-UHFFFAOYSA-N 342.442 1.959 0 40 EDAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(=O)c(OC)c[nH]1)CC2 524729391 RINOZLFKTSMUQX-LBPRGKRZSA-N 344.367 1.818 0 40 EDAB biogenic CC(C)(C)c1csc(CCNC(=O)c2ccc3nnnn3c2)n1 79492885 LZUXNUPREQHBCH-UHFFFAOYSA-N 330.417 1.851 0 40 EDAB O=C(Cn1cnnn1)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 71195740 VHQANIORPQHJIL-CQSZACIVSA-N 335.371 1.324 0 40 EDAB Cc1ncc(C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)c(N)n1 565265518 AXHLBXXBHQCQGJ-HNNXBMFYSA-N 325.416 1.366 0 40 EDAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)COC 218208664 FBPFMGPDSCKGRH-XQQFMLRXSA-N 348.262 1.694 0 40 EDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(C)c1 45896057 NLXHPWJTBDFUSZ-CQSZACIVSA-N 329.360 1.460 0 40 EDAB Cc1ccc(CNC(=O)Cn2nc3c4ccccc4ncn3c2=O)o1 72347025 CMHZPIMBYYRRFW-UHFFFAOYSA-N 337.339 1.262 0 40 EDAB CNC(=O)CCOc1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 78550580 NFJUJPIFPRKWMA-SWLSCSKDSA-N 335.404 1.891 0 40 EDAB COc1ccccc1NS(=O)(=O)c1ccc(OCC(N)=O)cc1 223297379 HACLUXWJQCQTAA-UHFFFAOYSA-N 336.369 1.360 0 40 EDAB CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(C(=O)O)cc2)C1 568510257 UERZFKRSWJQXEI-INIZCTEOSA-N 332.400 1.568 0 40 EDAB CCc1nnc2sc(-c3ccc(OCC(N)=O)c(OC)c3)nn12 226298272 CERDCTALUQGCRF-UHFFFAOYSA-N 333.373 1.288 0 40 EDAB N[C@@H](CC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)C1CC1 195559529 QICGSMDGRPHTGM-INIZCTEOSA-N 349.862 1.681 0 40 EDAB CCC[C@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 44790181 UQJFGWBVOJNZEM-SMDDNHRTSA-N 326.418 1.518 0 40 EDAB CN(C)c1ccnc(CNS(=O)(=O)c2ccc(Cl)cc2)n1 224195080 RQOUGFBHSOTYHY-UHFFFAOYSA-N 326.809 1.675 0 40 EDAB O=C(c1cc(C2CC2)on1)N1CCN(C[C@H](O)c2ccco2)CC1 85436788 JZWDRGPQRRNEFK-AWEZNQCLSA-N 331.372 1.636 0 40 EDAB S=C(NC[C@@H]1CCCO1)N1CCN(C2CCSCC2)CC1 225217744 RZUATOZWRUUZKR-AWEZNQCLSA-N 329.535 1.553 0 40 EDAB CO[C@H](C)CS(=O)(=O)N1CCN([C@@H](C)c2ccsc2)CC1 195454912 DGZMTRAUUPEETP-OLZOCXBDSA-N 332.491 1.791 0 40 EDAB Cn1nc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C1CC1 96099365 LOKWGMVVHVZLIA-UHFFFAOYSA-N 349.412 1.547 0 40 EDAB Cc1cccc(NC2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)n1 96483344 LYRIAIYDNPSXHS-INIZCTEOSA-N 332.448 1.562 0 40 EDAB C[C@H]1C[C@@H](N(C)CCNS(C)(=O)=O)CCN1Cc1ccccc1 96414939 XOMJIRFCRRGFOH-RDJZCZTQSA-N 339.505 1.521 0 40 EDAB O=C(CCN1CCCS1(=O)=O)NC[C@H]1CSc2ccccc21 579798805 KCVZTKORMNNPCS-LBPRGKRZSA-N 340.470 1.418 0 40 EDAB Cc1occc1C(=O)N1C[C@H]2[C@H](CC(=O)NCC3CC3)COC[C@H]2C1 96057172 JSIGNLOIKBKEFF-INMHGKMJSA-N 346.427 1.839 0 40 EDAB O=C(c1ccncc1)N1CC[C@]2(C[C@H](Oc3ncccn3)CO2)C1 96072569 XFSVUYOGKGPXST-YOEHRIQHSA-N 326.356 1.324 0 40 EDAB Cc1ccc(C(=O)N2CCn3c(Cn4cncn4)cnc3[C@@H]2C)o1 96062110 MLVUPCGBZKSVDY-LBPRGKRZSA-N 326.360 1.641 0 40 EDAB O=S(=O)(NCc1nnc2ccccn12)c1cccc2cccnc12 96461859 SZKVOARHAAVPSZ-UHFFFAOYSA-N 339.380 1.756 0 40 EDAB CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1ccoc1)C2 96056952 GKVYSHUJPUYLLG-FUHWJXTLSA-N 336.432 1.756 0 40 EDAB O=c1ccc2c(n1Cc1ccncc1)CCN([C@H]1CCOC1)CC2 96067801 XXNWKXYXOKSXGG-KRWDZBQOSA-N 325.412 1.481 0 40 EDAB COC1([C@@H](C)NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CCC1 580527466 YGJZDYQAXJRHCY-WBVHZDCISA-N 332.444 1.961 0 40 EDAB CCc1cc(N2CCC(NC(=O)c3cnc(C)cn3)CC2)ncn1 96450158 MUXUWUPZGBPMKQ-UHFFFAOYSA-N 326.404 1.536 0 40 EDAB Cn1cc(CN2CCC3(CCOC[C@@H]3NC(=O)C3CC3)CC2)cn1 96219425 FVLAHMBLTYWAMX-INIZCTEOSA-N 332.448 1.317 0 40 EDAB COCCO[C@@H]1CCN(C(=O)c2cc(C)on2)[C@H]1Cc1cnn(C)c1 96200229 DHCIYHDPTXEWKU-JKSUJKDBSA-N 348.403 1.205 0 40 EDAB O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@@H]12 96038614 KYHMZKCKUOEEGI-KBAYOESNSA-N 341.411 1.685 0 40 EDAB C[C@@H](CNC(=O)N1CCN([C@H](C)C(F)(F)F)CC1)N(C)C1CC1 96455064 RTYKYMFKGSDZCW-NWDGAFQWSA-N 336.402 1.747 0 40 EDAB O=C1CC[C@H]2[C@H](CCN2Cc2cccs2)N1CCN1CCOCC1 96186312 UISUSZFRWYCVAX-IRXDYDNUSA-N 349.500 1.646 0 40 EDAB Cc1cnc(C(=O)N2CC[C@@H](Oc3ccccn3)[C@H]3OCC[C@@H]32)cn1 96217601 NZLVNQZADNGDER-UXLLHSPISA-N 340.383 1.631 0 40 EDAB CC(C)(C)OC(=O)N[C@]1(C(F)(F)F)N=C2SCCN2C1=O 96232539 RPXHCDZBLKYOGE-SNVBAGLBSA-N 325.312 1.715 0 40 EDAB COC(=O)C[C@H](c1oc(C)cc(=O)c1O)c1cnn2cccnc12 95477770 RIXZHJSFYDANLJ-JTQLQIEISA-N 329.312 1.392 0 40 EDAB COCCNC(=O)Cc1cn2c(n1)[C@H](C)N(Cc1ccoc1)CC2 247832761 HYTNWGUPHDUCGB-ZDUSSCGKSA-N 332.404 1.358 0 40 EDAB Cc1ncoc1C(=O)N1CC2(C1)OCC[C@H]2COCc1ccccn1 248069870 YCVHKRQYFSUQFH-AWEZNQCLSA-N 343.383 1.826 0 40 EDAB Cc1cc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cccn4C)[C@H]3C2)no1 248105832 FUOFZDQSFRBYAD-FRFSOERESA-N 344.415 1.198 0 40 EDAB CCOC[C@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O 242473276 FEULHMJOOJEMCV-SCRDCRAPSA-N 331.434 1.645 0 40 EDAB C[C@@H]1CCCN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 585121818 BBKGWYIEWIJPKA-OUAUKWLOSA-N 327.368 1.858 0 40 EDAB Cn1ncc(C(=O)O)c1C(=O)N1CCO[C@](C)(c2ccccc2)C1 585134916 PEJHFGOUEPNUCW-KRWDZBQOSA-N 329.356 1.506 0 40 EDAB COc1ccc2[nH]cc(C(=O)N3CC[C@@]4(CCCO4)[C@@H](O)C3)c2c1 257311780 UKZDCABEJCLZJV-WMZOPIPTSA-N 330.384 1.933 0 40 EDAB Cc1cc(C(=O)NC[C@H](C(C)C)N2CCOCC2)n2nccc2n1 257305676 SQZPYBVLCSMEKY-OAHLLOKOSA-N 331.420 1.124 0 40 EDAB CCS(=O)(=O)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 253489081 CVRFJUAWAZDKAG-LLVKDONJSA-N 330.381 1.040 0 40 EDAB CCn1nccc1-c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1 257338043 YVOCPUJNBUJBQP-UHFFFAOYSA-N 349.460 1.574 0 40 EDAB CN(C)CCOc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 257273549 NHCHOCLNJSCXGE-HKUYNNGSSA-N 348.443 1.383 0 40 EDAB CCOc1cccc([C@@H](O)CN(C)C(=O)c2cc(O)nc(C)n2)c1 257236040 HAOIEYGUDBMMHX-HNNXBMFYSA-N 331.372 1.695 0 40 EDAB COc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)cc1F 257287343 PPNDUNOKAXHVPR-GJZGRUSLSA-N 333.363 1.869 0 40 EDAB CCS(=O)(=O)N1CCC[C@@H]1c1cccc(CN2CCOCC2)n1 257284744 PECMKRNIASHNQM-MRXNPFEDSA-N 339.461 1.400 0 40 EDAB Cc1ccn(CCC(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)n1 257291069 QFMSGRNHQNXLSZ-SFHVURJKSA-N 343.431 1.076 0 40 EDAB CNc1cnc(C[C@@H]2COCCN(C(=O)c3cscn3)C2)cn1 257274524 NLKURUBHFIDLPN-NSHDSACASA-N 333.417 1.306 0 40 EDAB Cc1noc(C)c1CN1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 252013424 ULGAJKRGASTHMJ-AWEZNQCLSA-N 330.388 1.894 0 40 EDAB CCCOc1cccc(CNC(=O)CN[C@@]23CCC[C@H]2NCC3)c1 1615059192 WZVNUBUEURTLJX-IEBWSBKVSA-N 331.460 1.966 0 40 EDAB Cc1csc(CN(C[C@H]2CCCO2)C(=O)Nc2cn(C)nn2)n1 1615540992 ZGKCCMJZCQGDSY-LLVKDONJSA-N 336.421 1.793 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](CCC(=O)O)C(=O)O)c(C)c1 1616035647 BGPKZQKLHKFECC-VXGBXAGGSA-N 343.401 1.536 0 40 EDAB COC(=O)c1sccc1C(=O)N1CC[C@@H](OC(=O)N(C)C)C1 1616032823 TXWCBBWGSGCLSC-SECBINFHSA-N 326.374 1.447 0 40 EDAB O=C(CN1C(=O)CCC1=O)NCC[C@@H](O)c1cc2ccccc2o1 96097211 YQHJZSYATMYJFA-GFCCVEGCSA-N 330.340 1.122 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3cscn3)[C@H]2C1 575406872 WQVIMMXCNZCUEI-SVPLCASGSA-N 335.429 1.002 0 40 EDAB COc1ccccc1OCC(=O)N1CCC[C@@H](Oc2ccncn2)C1 575608505 GEFFGAYYKBYNPE-CQSZACIVSA-N 343.383 1.934 0 40 EDAB O=C(NCCn1ccnc1-c1cnccn1)NCc1cccs1 575609382 KULCKESZABODRI-UHFFFAOYSA-N 328.401 1.901 0 40 EDAB Cc1ccc(C[C@@]2(CO)CN(C(=O)Cc3cnc[nH]3)CCO2)cc1 585276092 LTVLZDNUPNJNLG-SFHVURJKSA-N 329.400 1.093 0 40 EDAB CO[C@@]1(CC(N)=O)COCCN(C(=O)c2ccc(F)c(Cl)c2)C1 585280569 KPIUEHIZXKGAGA-OAHLLOKOSA-N 344.770 1.212 0 40 EDAB COc1cc(CN2CC3(C[C@@H](CO)CN3CC3CC3)C2)cc(OC)c1 585093851 JSQLPHQQMSBCER-QGZVFWFLSA-N 346.471 1.982 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)cc1=O 68141357 LGOVMAIQTADOTD-INIZCTEOSA-N 340.379 1.733 0 40 EDAB CCNC(=O)NC(=O)CN1CCC[C@@H]1C(=O)OCc1ccccc1 68857302 MAIMCEHXCVMBDI-CQSZACIVSA-N 333.388 1.040 0 40 EDAB CCc1nc(CCNC(=O)N[C@@H](C)C(=O)N2CCCCC2)cs1 69351316 FMUIODQGOTXEJJ-LBPRGKRZSA-N 338.477 1.948 0 40 EDAB CC(=O)c1ccccc1NC(=O)CN1CCC(n2cncn2)CC1 69736954 HORKNWHSWLYLPY-UHFFFAOYSA-N 327.388 1.756 0 40 EDAB CCn1c(=O)n(CCC(=O)NCCC[S@@](C)=O)c2ccccc21 69738138 RUJIIUPUSZJAHZ-QHCPKHFHSA-N 337.445 1.098 0 40 EDAB COc1cc2c(cc1CNC[C@@H]1CCS(=O)(=O)C1)O[C@@H](C)C2 44862973 DXURMGRQFWYCFZ-RYUDHWBXSA-N 325.430 1.543 0 40 EDAB CONC(=O)CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 45013663 CCMVFHAJOINZSR-KRWDZBQOSA-N 331.372 1.443 0 40 EDAB CS(=O)(=O)NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 57032542 PUDLCRDCGCDVOI-UHFFFAOYSA-N 340.401 1.606 0 40 EDAB Cc1csc([C@@](O)(CC(=O)N2CCO[C@H](C)C2)C(F)(F)F)n1 62640093 BISWOYFMGYSWMM-SKDRFNHKSA-N 338.351 1.839 0 40 EDAB Cc1noc(C)c1CC(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 76046357 REOPOQCSDNAJGG-ZDUSSCGKSA-N 347.419 1.850 0 40 EDAB O=C(CS(=O)(=O)c1ncc[nH]1)Nc1ccc(Br)cc1 78817794 SRLBNYGBYZGAOZ-UHFFFAOYSA-N 344.190 1.585 0 40 EDAB Cc1csc([C@H](NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)C2CC2)n1 89705376 VYZWHPCUQIHFFQ-SMDDNHRTSA-N 334.445 1.965 0 40 EDAB COc1cccc2c1CC[C@@H]2NS(=O)(=O)c1ccc(C(=O)O)nc1 582902887 XKCUEOUJAPPWAB-ZDUSSCGKSA-N 348.380 1.754 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)NC1CCOCC1 77371425 LJDVNPCLFAGWAQ-QGZVFWFLSA-N 345.487 1.878 0 40 EDAB CCN(CC)C(=O)[C@@H](c1ccccc1)S(=O)(=O)N1CCOCC1 5561458 HXULLMVFDDWTTC-OAHLLOKOSA-N 340.445 1.258 0 40 EDAB COc1ccc(C)cc1N(CC(=O)NC(C)(C)C)S(C)(=O)=O 5698228 MOWAUTAEMDNVAO-UHFFFAOYSA-N 328.434 1.684 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2ccc(O)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859084 RSUAGPSEDHULFZ-NRUUGDAUSA-N 348.277 1.176 0 40 EDAB CCS(=O)(=O)N1CCc2cc(C(=O)NC[C@@H]3CCCO3)ccc21 13610132 RQNBBUMNZZJSOD-AWEZNQCLSA-N 338.429 1.308 0 40 EDAB OCc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccnc3)no2)o1 15674498 XDRBBILVLHIRKA-DOMZBBRYSA-N 342.355 1.525 0 40 EDAB biogenic,in-vitro COC(=O)C1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 15924981 HTSMMSYNTKLPID-UHFFFAOYSA-N 330.384 1.839 0 40 EDAB CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 19581867 IQHUNDHZBMQYAA-RDJZCZTQSA-N 344.459 1.373 0 40 EDAB CNc1cc([C@@H]2CCCN(C(=O)COC)C2)nc(-c2cccnc2)n1 19592159 UVDMTCLLXHSEJQ-CQSZACIVSA-N 341.415 1.933 0 40 EDAB Cc1noc(C)c1C(=O)N1CCc2nc3ccccc3c(=O)n2CC1 12184011 LDXQEZIKIIOZOE-UHFFFAOYSA-N 338.367 1.700 0 40 EDAB Cc1cccc(Cl)c1S(=O)(=O)N1CC(N2CCNC2=O)C1 580763176 WZPODSCJBSNKBF-UHFFFAOYSA-N 329.809 1.047 0 40 EDAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1CCCC1=O 3518198 IZODRKHPJHZWAV-UHFFFAOYSA-N 328.324 1.956 0 40 EDAB Cn1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 7067679 YWQNESBHGZJTNO-UHFFFAOYSA-N 348.428 1.847 0 40 EDAB Cc1noc(C)c1CC(=O)N1C[C@@H]2CN(c3cnccn3)C[C@H]2C1 1888863483 BYHIPWQDWBAVPO-KBPBESRZSA-N 327.388 1.219 0 40 EDAB CC(C)S(=O)(=O)N1C[C@H]2CN(c3nc4ccccc4n3C)C[C@@H]2C1 1888864007 TZPJKRQBYCHYOE-ZIAGYGMSSA-N 348.472 1.680 0 40 EDAB CSc1nccc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)n1 1888866629 PXLKMAPLJSBVEZ-BETUJISGSA-N 340.408 1.824 0 40 EDAB c1csc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)n1 1889077218 MCRZZFUZFMKHGI-UHFFFAOYSA-N 332.433 1.096 0 40 EDAB Fc1cncnc1N1CCN(c2nccc(C(F)(F)F)n2)CC1 1889083318 RZDHYNUUFPBDCZ-UHFFFAOYSA-N 328.273 1.751 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)COc1ccc2c(c1)CCC(=O)N2 24480407 NCOKKMZWXVPUFR-UHFFFAOYSA-N 328.372 1.342 0 40 EDAB Cc1ccc(S(=O)(=O)NCCn2ccc3ccoc3c2=O)s1 238871856 NCJKZYAPKPTIIF-UHFFFAOYSA-N 338.410 1.943 0 40 EDAB Cc1ccc(C(=O)NCCN2Cc3ccccc3OCC2=O)cn1 238852215 JOCYKTBBGAYTOI-UHFFFAOYSA-N 325.368 1.541 0 40 EDAB Cc1cnc(C(=O)N2CCC[C@@H]2c2[nH]c(=N)n3ccsc23)cn1 2037838648 UGQBJEPAKBTBEU-LLVKDONJSA-N 328.401 1.884 0 40 EDAB CCN1CC2(CCC1=O)CCN(C(=O)c1ncnc(C)c1C)CC2 1565544516 MQGAYSLRPRTUCE-UHFFFAOYSA-N 330.432 1.958 0 40 EDAB O=C(CN1C(=O)CCC1=O)Nc1nnc(-c2ccc(Cl)s2)o1 2641641 RUUMIPNEEOGLOA-UHFFFAOYSA-N 340.748 1.539 0 40 EDAB O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NC1CCCC1 4139852 FFYWLHUSUXEHEC-UHFFFAOYSA-N 338.371 1.036 0 40 EDAB O=C(NCc1ccccc1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 4850566 YXKPQIOJPMGTQP-UHFFFAOYSA-N 349.390 1.777 0 40 EDAB COC(=O)c1ccc(Nc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1 12227486 WNYRDDQJNCCSMI-UHFFFAOYSA-N 340.339 1.162 0 40 EDAB COCCN1CC[C@@]2(CN(C(=O)COC)C[C@@H]2c2ccccc2)C1=O 2055781622 XIGGPYTYHHFFTN-APWZRJJASA-N 346.427 1.124 0 40 EDAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2c[nH]c3ccccc23)C1 585323121 ZWWZUXPSUHKALV-UHFFFAOYSA-N 344.396 1.200 0 40 EDAB COC(=O)c1ccc(NC(=O)C(=O)NCC[C@H](O)c2ccco2)cc1 77112416 ZHSQCHRSZCTPSI-ZDUSSCGKSA-N 346.339 1.245 0 40 EDAB COc1ccccc1CN(C[C@H]1CCCO1)C(=O)CNC(=O)C1CC1 50633125 QAODSCRYUBHUSH-MRXNPFEDSA-N 346.427 1.729 0 40 EDAB CCOC(=O)COn1c2c(c3c4no[n+]([O-])c4ccc31)CCCC2 499542 VPSKUDGGNXEWSQ-UHFFFAOYSA-N 331.328 1.286 0 40 EDAB aggregator Cc1ccn2c(=O)cc(COc3ccc(S(C)(=O)=O)cc3)nc2c1 40498062 AOHYWSZZJPMOOR-UHFFFAOYSA-N 344.392 1.985 0 40 EDAB Cc1[nH]nc2c1[C@H](c1cccc(Cl)c1)c1c([nH]c(=O)[nH]c1=O)N2 31809321 QOCDDIZKXQKWJA-JTQLQIEISA-N 329.747 1.985 0 40 EDAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 40508516 HKPOJFQJLLXLGU-GXTWGEPZSA-N 327.388 1.265 0 40 EDAB COc1ccc2nc(NC(=O)c3c(C(=O)O)cnn3C)sc2c1 20614739 BCVRKKIEQLCZSP-UHFFFAOYSA-N 332.341 1.989 0 40 EDAB O=C(c1cccc(-n2cnnn2)c1)N1CCN(c2ccccn2)CC1 20737997 OWESWHGEDCJAJU-UHFFFAOYSA-N 335.371 1.020 0 40 EDAB CCNS(=O)(=O)c1ccc(C(=O)N(C)CCCC(=O)OC)cc1 32278222 MBCDZKZNTFXWJS-UHFFFAOYSA-N 342.417 1.010 0 40 EDAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccc(F)cc2)n1 32593590 RDSJOSOYGYJIBH-UHFFFAOYSA-N 330.724 1.892 0 40 EDAB CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H](C)O 32738734 AOAGIDOXAAPDJZ-NEPJUHHUSA-N 349.456 1.784 0 40 EDAB CCCN(CCCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 52448520 MNHCOAJNXGNECJ-UHFFFAOYSA-N 346.431 1.420 0 40 EDAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)NC2CC2)CC1 22929855 SQISJZNNNRFJCX-CYBMUJFWSA-N 348.422 1.049 0 40 EDAB CN1CCN(Cc2ccc(C(=O)NCc3cnn(C)c3)cc2)CC1 54287969 JYWSEALWAQYPIU-UHFFFAOYSA-N 327.432 1.098 0 40 EDAB O=C(NCc1nnc2n1CCCCC2)c1ccc(-n2cccn2)nc1 42688023 BYDJIUJDJHPRTG-UHFFFAOYSA-N 337.387 1.515 0 40 EDAB CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1ccc2c(c1)OCO2 37886 FMAASBWPVASVRW-HNNXBMFYSA-N 346.339 1.865 0 40 EDAB Cc1ccc(CNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1F 24284827 HDUSHDGZBKGXLL-KBPBESRZSA-N 332.375 1.926 0 40 EDAB COc1cccc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)c1 25008922 YNJWRZLPSOWBIE-UHFFFAOYSA-N 325.368 1.665 0 40 EDAB CC(C)N1CC[C@@H](NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)C1 106788544 BIMUZNBDHWXEME-HUUCEWRRSA-N 339.505 1.677 0 40 EDAB CC1(C)OC[C@H](CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)O1 79107425 ACEXUVMSXDWHIO-IRXDYDNUSA-N 348.443 1.545 0 40 EDAB O=C(Cn1ccc2c(Cl)cccc21)N[C@@H]1CCS(=O)(=O)C1 79485345 VMDIBSSKPTXLKI-SNVBAGLBSA-N 326.805 1.598 0 40 EDAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(c2cnccn2)CC1 25343413 DZADOUONPQTEQN-UHFFFAOYSA-N 328.420 1.108 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)C2 72278986 VOWPJVGRRXIZAK-OLZOCXBDSA-N 331.445 1.748 0 40 EDAB CCCS(=O)(=O)NC1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 107312105 HMCHVVNLYOGWCL-YDHLFZDLSA-N 328.478 1.743 0 40 EDAB Cc1sc(C(=O)NC(C)C)cc1S(=O)(=O)N1CCOCC1 6679809 QFHFBYFCYRNROG-UHFFFAOYSA-N 332.447 1.216 0 40 EDAB Cn1cc(C(C)(C)NC(=O)CNC(=O)NCc2ccc(F)cc2)cn1 72295802 LSYFZDDHAUZOET-UHFFFAOYSA-N 347.394 1.410 0 40 EDAB O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cscn1 72254856 HHWQLONWVAVFSF-UHFFFAOYSA-N 337.426 1.630 0 40 EDAB C[C@H](C(=O)NC[C@H](c1cccs1)N1CCOCC1)n1cncn1 44576564 LZLIBISCANVLTC-CHWSQXEVSA-N 335.433 1.090 0 40 EDAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2C1=O 58014133 QPNQAMQWYWDDCL-NWDGAFQWSA-N 345.399 1.092 0 40 EDAB CCn1cc(NC(=O)C(=O)Nc2ccc(Cn3cccn3)cc2)cn1 72291045 YOAVMHBMOVDIOJ-UHFFFAOYSA-N 338.371 1.725 0 40 EDAB COCCOc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)cn1 58142606 CKMPWQKSKMMXJX-LLVKDONJSA-N 333.344 1.457 0 40 EDAB CCc1csc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 72282227 GKBQJSITNDFJEL-NSHDSACASA-N 332.429 1.819 0 40 EDAB COc1ccc([C@H](CNC(=O)[C@@H]2CCCO2)N2CCOCC2)cc1 36078218 MCMHTFRQHDJZLZ-IRXDYDNUSA-N 334.416 1.364 0 40 EDAB COCCn1nc(C(=O)N2CCC[C@@H]2c2cccs2)ccc1=O 44873524 CESKGIZMNUVFEN-CYBMUJFWSA-N 333.413 1.929 0 40 EDAB COc1ccccc1NC(=O)COc1c(C)n(CCO)ccc1=O 44889836 ULMLXVAKSLCPQV-UHFFFAOYSA-N 332.356 1.175 0 40 EDAB CN(CCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccccc1 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345.852 1.536 0 40 EDAB COCCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 12194329 KYORBLYMHZZKAQ-UHFFFAOYSA-N 326.418 1.383 0 40 EDAB COc1cc(C(=O)OCC(=O)NCC(C)C)cc(OC)c1OC 3277744 SGHQWMBINREDTJ-UHFFFAOYSA-N 325.361 1.641 0 40 EDAB O=C1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 100381061 DQCKKXVULJGBQN-NMLACTOBSA-N 341.407 1.525 0 40 EDAB CCCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 47031084 VBXMIRSRPFKXNP-UHFFFAOYSA-N 340.445 1.564 0 40 EDAB COc1cccc([C@@H](NC(=O)NC[C@@H]2CCCO2)c2nccn2C)c1 47594360 TUSTWDNABXQPHY-JKSUJKDBSA-N 344.415 1.996 0 40 EDAB O=S(=O)(NCc1ccnc(-n2ccnc2)c1)c1cncc(Cl)c1 95437254 LJRGMILCIFWVBU-UHFFFAOYSA-N 349.803 1.794 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)Cn1nnc(COc2ccccc2)n1 48262839 VSCQCAOLPNKHJG-CQSZACIVSA-N 345.403 1.137 0 40 EDAB CCOC(=O)[C@H]1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1 48326360 VFXYKGOYCUUVFI-VIFPVBQESA-N 343.309 1.923 0 40 EDAB O=C(Cc1cccc(F)c1)N1CCCN(C(=O)C[C@H]2CCOC2)CC1 95407216 ZHPDSRGOTAQLBV-MRXNPFEDSA-N 348.418 1.856 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC(=O)NC(C)(C)C)C2=O 3595653 JFRUBESCECOBPT-MGPLVRAMSA-N 338.408 1.111 0 40 EDAB CC(=O)NCCCNC(=S)Nc1ccc2c(c1)OC(F)(F)O2 63669295 XIQXGXVBUSNKSZ-UHFFFAOYSA-N 331.344 1.821 0 40 EDAB COc1cc(OC)cc(N2CC[C@H](N(C)Cc3c[nH]nc3C)C2=O)c1 93840892 QCCKBGSUXSBOOH-KRWDZBQOSA-N 344.415 1.973 0 40 EDAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-n3cnnn3)cc2)CC1 5103088 DHBZGQNZKJQFQE-CYBMUJFWSA-N 343.387 1.466 0 40 EDAB COc1cc(NS(=O)(=O)CCOC(C)C)cc(OC)c1OC 72306304 GMOIUWSQJBFEKS-UHFFFAOYSA-N 333.406 1.879 0 40 EDAB O=C(N[C@@H]1CCCc2c1cnn2CCO)N(C[C@@H]1CCOC1)C1CC1 65428967 DSWNNWBTSBSRMH-XJKSGUPXSA-N 348.447 1.463 0 40 EDAB CC(=O)N[C@H](CC(=O)N1CCC[C@H]1C(=O)NC1CC1)c1ccccc1 97205522 XPTUEBSCFWZDQW-SJORKVTESA-N 343.427 1.524 0 40 EDAB COc1cccc(CN(C)c2ncnc3c2cnn3CCO)c1OC 97200233 YADGYBIVZXTCHE-UHFFFAOYSA-N 343.387 1.472 0 40 EDAB COC(=O)c1ccc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c1 14381300 QQFWKGPWIDBDNF-UHFFFAOYSA-N 330.296 1.002 0 40 EDAB CN(C)C(=O)c1ccc(NC(=O)COc2nnc3ccccn23)cc1 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1.596 0 40 EDAB COc1ccccc1[C@@H]1CCCN1S(=O)(=O)N1CCOCC1 69130529 MDJPDILBWKECDT-AWEZNQCLSA-N 326.418 1.409 0 40 EDAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCCN(c2cccnn2)CC1 70039690 YEJMFLZBZSRRAN-GFCCVEGCSA-N 329.404 1.924 0 40 EDAB CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)C1 69454249 MEWOJLVJTWBCON-RDJZCZTQSA-N 343.427 1.339 0 40 EDAB CCN(CCNC(=O)Cc1cc(OC)c(OC)c(OC)c1)C1CC1 69563246 HALQIRKEGTVQNG-UHFFFAOYSA-N 336.432 1.855 0 40 EDAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@@H]1Cn1cncn1 69664882 LZGJOTXAXMRUDO-WMLDXEAASA-N 345.422 1.629 0 40 EDAB CC1(C)C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 69778201 XUFKXBZPFDGSLV-UHFFFAOYSA-N 336.335 1.605 0 40 EDAB COc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 69703514 CADNJRWJVKLLEQ-UHFFFAOYSA-N 330.388 1.476 0 40 EDAB C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CCCc2nc(C3CC3)no2)CC1 95401950 ACSSPBCZEVLIND-JSGCOSHPSA-N 346.431 1.597 0 40 EDAB CC(C)(O)CN1CCN(C(=O)c2cnn(-c3ccccc3F)c2)CC1 69928366 DPQUATKOWDBBOK-UHFFFAOYSA-N 346.406 1.540 0 40 EDAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cnc3sccn3c2=O)c1 69927514 SYGWVAVHNIWIKE-LBPRGKRZSA-N 343.412 1.566 0 40 EDAB Cc1cc([C@@H]2CCCN(C(=O)[C@H](C)S(=O)(=O)C(C)C)C2)n[nH]1 84110119 XISRINGRZKYKTN-QWHCGFSZSA-N 327.450 1.636 0 40 EDAB Cc1cc(CN2CCN(C(=O)Nc3ccc(=O)n(C)c3)CC2)no1 95955673 RGTHBBNCUQAXHJ-UHFFFAOYSA-N 331.376 1.031 0 40 EDAB C[C@@H](NC[C@H]1COC(C)(C)O1)c1ccc(S(=O)(=O)N(C)C)cc1 95943525 PCLNZQJLQKDCFQ-OCCSQVGLSA-N 342.461 1.739 0 40 EDAB Cc1ccc(C(=O)NCc2cccc(N3CCCC3=O)c2)c(=O)[nH]1 75119903 VMJLCSBYOMQDBL-UHFFFAOYSA-N 325.368 1.740 0 40 EDAB O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1Cc1nc(C2CC2)no1 89858176 KKRBAOIIEQHZQG-GOSISDBHSA-N 338.367 1.927 0 40 EDAB CCc1nccn1C[C@H]1CCCN1S(=O)(=O)c1cncc(F)c1 76050223 DNAVOBRQPWTMKI-CYBMUJFWSA-N 338.408 1.833 0 40 EDAB CCn1nc2c(cc1=O)CN([C@@H](C)C(=O)NCc1cccs1)CC2 76064462 QDHDODHXICXNOV-LBPRGKRZSA-N 346.456 1.388 0 40 EDAB CS(=O)(=O)Nc1ccc2sc(C(=O)N3CCOCC3)cc2c1 408712946 CTNQAYSGCPKOBQ-UHFFFAOYSA-N 340.426 1.745 0 40 EDAB Cc1ccc(C)n1-c1c(C(=O)N2CC[C@H]([C@@H](F)C(=O)O)C2)cnn1C 1548600163 VHSRXHLXPCTVGU-GXTWGEPZSA-N 348.378 1.712 0 40 EDAB CN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1 20768300 PPSHGXYAMUQTTI-UHFFFAOYSA-N 332.425 1.796 0 40 EDAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 28648108 AQZYTGVYQZXCFO-UHFFFAOYSA-N 348.380 1.618 0 40 EDAB Cc1cccc(F)c1S(=O)(=O)NC1CCN(C(=O)C2CC2)CC1 548117870 KZBQYGOYDMRHCD-UHFFFAOYSA-N 340.420 1.813 0 40 EDAB CC(C)n1nccc1NC(=O)C(=O)N1CCC(N2CC=CC2)CC1 124595983 PVZIWPDGSNJMMW-UHFFFAOYSA-N 331.420 1.265 0 40 EDAB CCNS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CCCO2)cc1 409389155 GLILBJRSCLOJRJ-CQSZACIVSA-N 340.445 1.213 0 40 EDAB Cn1c(NCCCN2CCC[C@@H](O)C2)nc2cc(C(=O)O)ccc21 1506399131 KLPNDLKMDVWAIL-CYBMUJFWSA-N 332.404 1.530 0 40 EDAB Cc1ccc(F)c2c1CCCN2C(=O)c1cn(CC(=O)N(C)C)nn1 68144807 DWAPDPOPWDZWAV-UHFFFAOYSA-N 345.378 1.407 0 40 EDAB COc1ccc([C@H]2CCCN2C(=O)CCCn2cnnn2)c(OC)c1 524735814 ZOTLTLBQHCJWIF-OAHLLOKOSA-N 345.403 1.834 0 40 EDAB CS(=O)(=O)c1cccc(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)c1 1553487527 CPZVRBDICUWBNH-CQSZACIVSA-N 337.445 1.113 0 40 EDAB COc1cccc2c1OCC(C(=O)N(CC(=O)O)C1CCOCC1)=C2 531748213 RCBLEYDAPYAIEY-UHFFFAOYSA-N 347.367 1.563 0 40 EDAB O=C(CCn1cnccc1=O)NCc1cccc2c1OCCCO2 551700720 LGNNKLQIPWMPOR-UHFFFAOYSA-N 329.356 1.111 0 40 EDAB COCCN1CCC(NC(=O)c2ccccc2N2CCOCC2)CC1 79338379 LIMBBQGELVNOEI-UHFFFAOYSA-N 347.459 1.364 0 40 EDAB NC(=O)CN1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1 72367829 UVHVCHLRGROGOL-UHFFFAOYSA-N 330.432 1.372 0 40 EDAB CC(=O)Nc1cnn(CC(=O)N2CCN(c3ccccc3F)CC2)c1 563418791 YMQVRCJQQXHXSG-UHFFFAOYSA-N 345.378 1.329 0 40 EDAB CC1=C(C(=O)NCCCN2CCC(O)CC2)Cc2ccccc2O1 73816431 KAQUIXQDBZNSHX-UHFFFAOYSA-N 330.428 1.859 0 40 EDAB C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H]1c1ccc(O)nn1 530076906 UISLXWXBUHCSJQ-RISCZKNCSA-N 332.404 1.541 0 40 EDAB Cc1ccc(CNC(=O)c2cn(C[C@@H](O)c3ccsc3)nn2)o1 225582796 VOTVDRUNGJBTMN-CQSZACIVSA-N 332.385 1.905 0 40 EDAB COC(=O)c1sccc1S(=O)(=O)NCC[C@@H](O)c1ccco1 77111838 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328.416 1.689 0 40 EDAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 96456340 VCBLIGWQWPHPAB-SWLSCSKDSA-N 349.479 1.835 0 40 EDAB CC(C)COC[C@@H](C)NC(=O)c1c[nH]c(=O)c(Br)c1 96426368 FZMSNPUTVSYUNQ-SECBINFHSA-N 331.210 1.928 0 40 EDAB CCCS(=O)(=O)CC(=O)NC[C@H](c1c(F)cccc1F)N(C)C 96406376 JTEMYZGHQKOJPB-CYBMUJFWSA-N 348.415 1.509 0 40 EDAB COc1cc(N2C[C@H]3CCC[C@@H](CN4CCOCC4)[C@H]3C2)ncn1 96081891 YXISEBFDKKIXAE-ARFHVFGLSA-N 332.448 1.670 0 40 EDAB O=C(C[C@]12COC[C@H]1CN(c1ncccn1)C2)NCc1cccnc1 96207200 OGBZERHMTLOOIY-QAPCUYQASA-N 339.399 1.031 0 40 EDAB Cc1nn(C)c(C)c1OCC(=O)Nc1nc(-c2cnn(C)c2)cs1 96466807 JCQYBRNZTPAWAK-UHFFFAOYSA-N 346.416 1.911 0 40 EDAB O=C([C@H]1CN(Cc2ccccn2)CC12CCOCC2)N1CCCC1 96052187 RXHISDHZDGWQBM-QGZVFWFLSA-N 329.444 1.933 0 40 EDAB O=C(c1cnccn1)N1CCC2(CC1)C[C@@H](Nc1ncccn1)CO2 96221592 PCQIHVMVWAZRNP-CYBMUJFWSA-N 340.387 1.142 0 40 EDAB CCOCC(=O)N1CCC2(CC1)C[C@H](OCC1CCOCC1)CO2 96205852 VYPKSZIPCAKTTG-INIZCTEOSA-N 341.448 1.616 0 40 EDAB O=C(Cc1ccco1)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 247871764 QYVWQKSNAUUPMM-AWEZNQCLSA-N 329.356 1.451 0 40 EDAB CN(C)C(=O)CN1CCC[C@@H](c2cnc(Nc3cnccn3)cn2)C1 257301075 RWWYRMIRATYECA-CYBMUJFWSA-N 341.419 1.278 0 40 EDAB CC(=O)N1CCN(C(=O)CCc2ccnn2C)C[C@H]1c1ccccc1 257261400 LHDBURNCIGPHBO-SFHVURJKSA-N 340.427 1.785 0 40 EDAB CCOC(=O)c1c(Cl)c2ncc(S(=O)(=O)NC)cc2n1C 585142249 RQCKYIAWFORTCO-UHFFFAOYSA-N 331.781 1.312 0 40 EDAB C[C@@]1(c2ccccc2)CN(C(=O)C[C@@H]2CCCS2(=O)=O)CCO1 585132104 OIUVFBOIKGMWOF-RDJZCZTQSA-N 337.441 1.728 0 40 EDAB NS(=O)(=O)c1ccc(SCC(=O)N[C@H]2CC=CCC2)cc1 585135470 LLBZRZMGQLFUOO-NSHDSACASA-N 326.443 1.651 0 40 EDAB Cc1ccc(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)cn1 253537421 XNCZSHVQXJYEPG-UHFFFAOYSA-N 327.388 1.593 0 40 EDAB Cc1ncsc1C(=O)N(C)C[C@@]1(O)CCCN(c2cnccn2)C1 257343875 ZUSXTUIOEUVVMO-INIZCTEOSA-N 347.444 1.345 0 40 EDAB O=C(NCc1ccc(CO)c(F)c1)c1cn([C@H]2CCCNC2)cn1 585655482 PHFLQKUECYWGFX-AWEZNQCLSA-N 332.379 1.369 0 40 EDAB Cc1nn(C)cc1C(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 257290575 QDLZSAGOWRNCFT-SJLPKXTDSA-N 329.400 1.773 0 40 EDAB Cn1c(C(=O)N2CC[C@@H]3NC(=O)CO[C@H]3CC2)cc2cc(F)ccc21 257327181 XAHZDEKGRVWTDN-BBRMVZONSA-N 345.374 1.437 0 40 EDAB Nc1nccnc1C[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 257208609 BMWBWMGFRRBNPB-LBPRGKRZSA-N 340.431 1.756 0 40 EDAB COc1cc(CCC(=O)N2CCNC[C@H]2c2ccccc2OC)on1 257314763 UYJJHVCBKCVYHE-HNNXBMFYSA-N 345.399 1.798 0 40 EDAB CN1CCC(Cc2ccccc2F)(C(=O)N2CC(C(N)=O)C2)CC1 257220051 DJHOWKNQGMGWGV-UHFFFAOYSA-N 333.407 1.024 0 40 EDAB CC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)C[C@@H](C(N)=O)C1 257269791 MRJQINRHBZNSGR-CYBMUJFWSA-N 343.349 1.471 0 40 EDAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2C(=O)O)cc1 263252458 FCECSJJYGCQRJQ-CQSZACIVSA-N 339.413 1.487 0 40 EDAB Cn1ccc(N2CCC[C@H](Nc3ccc4c(c3)C(=O)NC4)C2=O)n1 266421467 ARQIVMZWILUUIQ-AWEZNQCLSA-N 325.372 1.271 0 40 EDAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N(C)c2cnccn2)cc1 284865348 IOTDSISAECQOLS-UHFFFAOYSA-N 348.428 1.784 0 40 EDAB Cc1ccc(Cc2nc(C(=O)N3CC[C@](O)(CO)C3)cs2)cc1 1615606492 ZKGIEXWOHRXXAZ-QGZVFWFLSA-N 332.425 1.612 0 40 EDAB Cc1c(C(=O)Nc2cc(-n3cncn3)ncn2)cnn1-c1ccccc1 96098009 GPDWYYBPLBHDBR-UHFFFAOYSA-N 346.354 1.804 0 40 EDAB COC[C@@H]1CCn2nccc2CN1S(=O)(=O)c1ccc(C)cc1 585096706 AUHKZGKRGDVNHE-HNNXBMFYSA-N 335.429 1.801 0 40 EDAB O=C(NC[C@@H](O)c1ccccc1)Nc1ccc(N2CCOCC2)nc1 65412750 RLIIOQXQCFPTRL-MRXNPFEDSA-N 342.399 1.773 0 40 EDAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1cnccn1 585111052 BMOHRJZSXBDLLV-KRWDZBQOSA-N 349.394 1.765 0 40 EDAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCC2CC2)[C@@H](O)C1 585286296 YOWBGTZYAMZRAA-RDJZCZTQSA-N 338.835 1.278 0 40 EDAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)c2ncccc2O)C1 585275680 DJIBGXNMJCZASP-GOSISDBHSA-N 328.368 1.752 0 40 EDAB O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2ccccc2)[C@@H]2CCO[C@@H]12 585109195 CPNNPEXAWJCCGT-ZACQAIPSSA-N 340.379 1.826 0 40 EDAB O=C(NC[C@@H]1CN(Cc2ccco2)Cc2ccnn21)N1CCCC1 585112303 OGWBIAOEENMIHZ-OAHLLOKOSA-N 329.404 1.838 0 40 EDAB Cc1n[nH]c(SCC(=O)NCCc2nc3ccccc3n2C)n1 78964639 NDVBOWKKRNXZQL-UHFFFAOYSA-N 330.417 1.451 0 40 EDAB CS(=O)(=O)c1snnc1C1CCN(Cc2ccco2)CC1 12121300 FKKMCALCVORKIA-UHFFFAOYSA-N 327.431 1.914 0 40 EDAB O=C(Nc1cc(O)nc2nc(Cc3ccccc3)nn12)[C@H]1CCCO1 17015762 KGCZJHXMTKFDFQ-GFCCVEGCSA-N 339.355 1.538 0 40 EDAB CC(C)(C)NC(=O)CN1CC2(CCOCC2)Oc2ccccc2C1=O 19083053 MOXLSYIOPUOTIT-UHFFFAOYSA-N 346.427 1.985 0 40 EDAB Cc1nc(CC(=O)N2CCO[C@@H](C(=O)NC3CCCC3)C2)cs1 19747769 TZWGJZAVKXGONS-CQSZACIVSA-N 337.445 1.280 0 40 EDAB COC(=O)c1nn(C[C@H](O)C(F)(F)F)c(C)c1Br 158356099 SFPNJWFNDSCIRC-YFKPBYRVSA-N 331.088 1.664 0 40 EDAB COCc1cccc(CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)c1 572763488 MJANQVQVOUMBLK-CQSZACIVSA-N 329.404 1.280 0 40 EDAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCNC(=O)NC(C)C)C1 581008422 HTEGNZRDDSWFRE-CABCVRRESA-N 326.485 1.711 0 40 EDAB CS(=O)(=O)N1CCC(N2CCC[C@@H](Cc3cc[nH]n3)C2)CC1 1848355446 OTWUHFICNLAPFM-ZDUSSCGKSA-N 326.466 1.088 0 40 EDAB Cc1cc(N2CCO[C@H]3CN(C(=O)c4ccnc(F)c4)C[C@@H]32)ccn1 2056224311 WGJQWXRSTJMBGM-HOTGVXAUSA-N 342.374 1.654 0 40 EDAB O=C(c1csnn1)N1CCCn2ncc(C(=O)N3CCCC3)c2C1 1565544184 ZHJYUZTVIMMKSR-UHFFFAOYSA-N 346.416 1.017 0 40 EDAB O=C(N[C@H]1CCc2onc(CN3CCCC3)c2C1)c1ccnnc1 2055734773 USBFJDXEYLIGPW-ZDUSSCGKSA-N 327.388 1.348 0 40 EDAB CN(CC(=O)Nc1nc2c(F)cc(F)cc2s1)S(C)(=O)=O 36695623 RJRYBOQIZADROJ-UHFFFAOYSA-N 335.357 1.404 0 40 EDAB O=C(c1cccc(-n2cccn2)c1)N1CC[C@H](Oc2ncccn2)C1 575610570 LANCJFWYMQJEHB-INIZCTEOSA-N 335.367 1.956 0 40 EDAB O=C(c1ccc[n+]([O-])c1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575610523 VMNBGWSOFSYQEJ-CYBMUJFWSA-N 334.763 1.447 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(S(C)(=O)=O)CC2)o1 40475543 IRGQYLFHUZUANC-TZMCWYRMSA-N 340.445 1.439 0 40 EDAB NC(=O)C1CCN(CC(=O)NCCOc2cccc(Cl)c2)CC1 51186445 IORBHBPIDIGYRA-UHFFFAOYSA-N 339.823 1.032 0 40 EDAB C[C@H]1Cc2ccccc2N1C(=O)NC1CCN(S(C)(=O)=O)CC1 40525211 YMYUFKPCVSTXEV-LBPRGKRZSA-N 337.445 1.571 0 40 EDAB CNS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@H]2C)cc1 40553516 CNAWQWWZWFHNFQ-GFCCVEGCSA-N 325.434 1.679 0 40 EDAB Cc1cc(C)n2ncc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2n1 32426230 NVSJUKNESDPCAG-UHFFFAOYSA-N 325.372 1.581 0 40 EDAB CC(C)(C)NC(=O)NC(=O)CCSc1n[nH]c(=O)n1C1CC1 32871250 IDZDBCRLDYVLPC-UHFFFAOYSA-N 327.410 1.013 0 40 EDAB Cc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)c(Br)c1 32912418 FZNGGCDZIXJUIP-JOYOIKCWSA-N 344.230 1.907 0 40 EDAB CCCn1nnc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)n1 557467 SDIRRURLWDKIQP-UHFFFAOYSA-N 348.432 1.997 0 40 EDAB CNC(=O)COc1cccc(CNc2ncc(C(N)=O)cc2Cl)c1 54123645 PGJLBSYNCMZZOC-UHFFFAOYSA-N 348.790 1.571 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC(N)=O)c1ccccc1 24115240 YTQYVIFESGOIBY-MRXNPFEDSA-N 341.367 1.783 0 40 EDAB COC(=O)Nc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1 134778 RTROSGRNMGVTSG-UHFFFAOYSA-N 332.341 1.847 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)C1=NN(c2ccccc2)C(=O)CC1 24472293 CRPUTTVIGSFFMB-UHFFFAOYSA-N 325.372 1.562 0 40 EDAB COC(=O)CNC(=O)CCN1C[C@@H](c2ccccc2)OCC1(C)C 78640521 LSVCNZCXRBHSRK-HNNXBMFYSA-N 334.416 1.518 0 40 EDAB CC(C)c1nc(CN(C)[C@H]2CCN(Cc3ccn(C)c(=O)c3)C2)no1 78891630 HLORABAHXKDDQY-HNNXBMFYSA-N 345.447 1.598 0 40 EDAB Cc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)c(F)c2)n1C 78985980 UFCAIXNRKIGDAV-UHFFFAOYSA-N 325.365 1.050 0 40 EDAB CCCN1CCN(Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)CC1 43301693 UWGJFUVKRGZLCU-UHFFFAOYSA-N 346.431 1.468 0 40 EDAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCS(=O)(=O)C1 17635414 BOAYHJYKPZBFNC-ZDUSSCGKSA-N 332.425 1.697 0 40 EDAB Cc1nc2n(n1)C[C@H](NCC(=O)N1CCC[C@H]3CCCC[C@H]31)CC2 106787927 WFFWPWJWRJMRIW-BZUAXINKSA-N 331.464 1.672 0 40 EDAB C[C@@H](S[C@]1(C)OC(=O)c2ccccc2O1)C(=O)NCC(=O)O 3780182 DXSXAJGKYKXYMX-CLAHSXSESA-N 325.342 1.232 0 40 EDAB in-man COc1ccc(CC(=O)NCc2cccc(C(N)=O)c2)cc1OC 25333160 NPGDRBLJBXUVJC-UHFFFAOYSA-N 328.368 1.662 0 40 EDAB Cc1cc(C)n(CCN2CCC[C@H]([C@]3(C)NC(=O)N(C)C3=O)C2)n1 107142772 QTVYBJAYKXJGDH-YOEHRIQHSA-N 333.436 1.152 0 40 EDAB Cc1ccccc1Cn1cc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cn1 6925093 LUIZAZJQLVUIBW-WNKDZCFJSA-N 337.379 1.907 0 40 EDAB COc1cc(C)c(Nc2ncnc3c2cnn3CCO)cc1OC 97200161 LRYPJVJZITUFTM-UHFFFAOYSA-N 329.360 1.888 0 40 EDAB O=C1[C@H]2CCCN2C(=O)N1CCc1ccn(-c2ccc(F)cc2)n1 97232299 NJMPKLDNBVEYEB-OAHLLOKOSA-N 328.347 1.981 0 40 EDAB Cc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c1C 57525651 UZYGMPYTZDKIJL-UHFFFAOYSA-N 337.379 1.956 0 40 EDAB NC(=O)NC(=O)CCN(Cc1ccc2c(c1)OCCO2)C1CCCC1 57630871 NYEIALGAANOJTB-UHFFFAOYSA-N 347.415 1.787 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1C 26957576 IOSNLMHNMNHKTR-MRXNPFEDSA-N 340.489 1.939 0 40 EDAB O=C(CN1CCN(C(=O)C(F)(F)F)CC1)Nc1ccccc1Cl 58183657 PUZPGCAGXAVUQV-UHFFFAOYSA-N 349.740 1.985 0 40 EDAB COc1ccc(OC)c([C@H]2CCCN2CCCNS(C)(=O)=O)c1 58147701 BNNLQMBJPZVDHB-OAHLLOKOSA-N 342.461 1.780 0 40 EDAB Cc1ccccc1[C@@H](C)NC(=O)CCn1cnc2c(cnn2C)c1=O 44894470 VEKTYZDVRYJFMI-CYBMUJFWSA-N 339.399 1.706 0 40 EDAB COCCOc1ncccc1CNC[C@H]1CNc2cc(C)nn2C1 58294457 SWPDISNLDYZTDZ-AWEZNQCLSA-N 331.420 1.443 0 40 EDAB CON(C)S(=O)(=O)c1cccc(C(=O)N2CCOCC2(C)C)c1 58282409 QOUPOWISTSLKGN-UHFFFAOYSA-N 342.417 1.120 0 40 EDAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)C(=O)N1CCOCC1 58278950 ATPUFIGPEHXJBC-NEPJUHHUSA-N 340.807 1.471 0 40 EDAB O=C1NCCN(S(=O)(=O)c2cccc(F)c2)[C@@H]1c1ccccc1 58209436 TYXUBKVOEUIBMH-OAHLLOKOSA-N 334.372 1.688 0 40 EDAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)Cc2ccsc2)CC1 58216656 KQQMGJUUZHIPDH-GFCCVEGCSA-N 344.502 1.857 0 40 EDAB CC1CCN([C@@H](C)CNC(=O)Cn2cnc3ccccc3c2=O)CC1 58279684 MZEKIMZSOXKLAU-HNNXBMFYSA-N 342.443 1.633 0 40 EDAB COCCOc1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cn1 44977956 YXQUKKLQCWHMDA-UHFFFAOYSA-N 327.340 1.158 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)c2nnnn2-c2ccccc2)no1 44954062 DQFZZLUWGMWQDQ-LLVKDONJSA-N 333.373 1.635 0 40 EDAB CCOCc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)ccc1OC 44907986 YBEOGQUTAIENDK-GFCCVEGCSA-N 341.429 1.396 0 40 EDAB C[C@@H](C(=O)NCc1ccccc1CN1CCCC1=O)n1cncn1 44910562 UQVJXEVXDITLQI-ZDUSSCGKSA-N 327.388 1.278 0 40 EDAB CCN(C)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 58392508 ZKYTUMPFKPYHMH-INIZCTEOSA-N 329.444 1.765 0 40 EDAB NC(=O)c1ccc(F)c(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1 58377366 QJDDLLHRVDNBTD-LBPRGKRZSA-N 333.363 1.512 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C)C2)cc(C)c1C 11496672 HEQYHIFMMWOSLK-LLVKDONJSA-N 326.418 1.072 0 40 EDAB Nn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O 11518508 GFQVFDSVOYJARZ-UHFFFAOYSA-N 330.369 1.112 0 40 EDAB NS(=O)(=O)c1ccc(OCCN(C[C@@H]2CCOC2)C2CC2)cc1 46092402 FLFOPLQNLCLUHL-ZDUSSCGKSA-N 340.445 1.214 0 40 EDAB CCOCCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61342323 LSFXELKONMNXTN-UHFFFAOYSA-N 334.825 1.868 0 40 EDAB CN(C)[C@H](CNCc1cnc(N2CCOCC2)nc1)c1cccs1 48275534 RZBOCODKAKRBPW-OAHLLOKOSA-N 347.488 1.767 0 40 EDAB C[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2)c1nncn1C 46962658 GDTQDWNYYZONEU-ZJUUUORDSA-N 344.375 1.267 0 40 EDAB C[C@H](Cn1ccnc1)NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 46952889 VQODDMOADSXEEY-NEPJUHHUSA-N 333.358 1.455 0 40 EDAB COc1ncccc1NC(=O)N1CCN(Cc2cc(C)no2)CC1 48250929 PCWRMFHSIWSQFT-UHFFFAOYSA-N 331.376 1.736 0 40 EDAB CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1 26562869 AAAIMASOGADCHT-CQSZACIVSA-N 338.839 1.682 0 40 EDAB CC(C)C(=O)N1CC[C@@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 95439874 RGAXYXKPMKTGIU-CQSZACIVSA-N 327.388 1.254 0 40 EDAB Cc1cc(C)cc(N2C(=O)C[C@H](N3CCC4(CC3)OCCO4)C2=O)c1 104278618 JTUXIWPSJOUDBQ-INIZCTEOSA-N 344.411 1.774 0 40 EDAB CC(C)NC(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 3503315 MECCAGUDXMDSEG-UHFFFAOYSA-N 348.186 1.967 0 40 EDAB COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(C)cc1 3903500 QYLMZOSCRKUEBH-YRBFXIGRSA-N 334.368 1.381 0 40 EDAB Cc1nn(C)c(Oc2cccnc2)c1CN1C[C@H]2[C@@H](C1)OCCN2C 93642453 WAGPJECFSMTZLU-DLBZAZTESA-N 343.431 1.431 0 40 EDAB COc1cccc(CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 6236587 ZAIJDDYEFFFPIW-UHFFFAOYSA-N 348.424 1.876 0 40 EDAB CN(Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCc2c1cnn2CCO 65449210 XDMQTJTYONPBJM-MRXNPFEDSA-N 344.415 1.800 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)C1 65401439 BMHAXGJEGJFHAK-JTQLQIEISA-N 332.372 1.366 0 40 EDAB COC(=O)c1sccc1NC(=O)[C@@H]1CCCN(C(=O)OC)C1 65502419 HHWPPCQSLTYUPN-SECBINFHSA-N 326.374 1.952 0 40 EDAB Cc1noc(CCCC(=O)N2CSC[C@@H]2C(=O)NCC2CC2)n1 65522935 PBIATKFFNQBKEL-GFCCVEGCSA-N 338.433 1.128 0 40 EDAB COCC(=O)NCCCNC(=O)c1cccc(Br)c1 65622509 ZNJLJJTUGZNITF-UHFFFAOYSA-N 329.194 1.332 0 40 EDAB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1ccc2c(c1)OCO2 65611582 BCVDRCKXAAWHFR-LBPRGKRZSA-N 336.413 1.799 0 40 EDAB Cc1ccc2nc3c(cc(C(=O)N4COCC4(C)C)n3C)c(=O)n2c1 96347449 IGYHDYRVJSXBIC-UHFFFAOYSA-N 340.383 1.703 0 40 EDAB CC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2F)CC1 14806100 KGXKSSBMQXRHBU-UHFFFAOYSA-N 334.800 1.768 0 40 EDAB O=C(c1cccnc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24178399 ILYSFGGVEZWBEY-UHFFFAOYSA-N 339.395 1.811 0 40 EDAB CCNC(=O)CN(CC)C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 67477633 DRMFFXQFWKIRIX-MRXNPFEDSA-N 345.443 1.205 0 40 EDAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)[C@@H]1CCCO1 7293740 UNKDTCRBIZGSMQ-FZMZJTMJSA-N 332.356 1.473 0 40 EDAB COc1cccc(N2C[C@@H](C(=O)NCc3ccncc3)CC2=O)c1 7452227 WMBTVBJSZMOPAE-AWEZNQCLSA-N 325.368 1.760 0 40 EDAB Cc1cn2cc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)ccc2n1 71867352 YECVGCZOEYUBTM-LBPRGKRZSA-N 339.442 1.502 0 40 EDAB C[C@@H](c1ccccc1F)N(Cc1cc(=O)n(C)c(=O)n1C)C1CC1 71817084 NXZABWVNLGEXDR-LBPRGKRZSA-N 331.391 1.949 0 40 EDAB CN(C(=O)Cn1cnnn1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 68182552 RIHWOQOGVHTGCW-INIZCTEOSA-N 342.790 1.970 0 40 EDAB Cc1cc(CN2Cc3ncn(C)c3[C@H](C(=O)NC3CCC3)C2)n(C)n1 306143324 XYXLQIDVDDHBJK-OAHLLOKOSA-N 342.447 1.230 0 40 EDAB CC1CCN(C[C@H](O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)CC1 71825027 CRYUGOGHSIUFBO-GUYCJALGSA-N 335.404 1.139 0 40 EDAB CCc1nc(CN(C(C)=O)[C@@H]2CCN(CCc3ccccn3)C2)no1 83830424 QKRAZYHHGRPSKQ-MRXNPFEDSA-N 343.431 1.693 0 40 EDAB O=C(Cn1cnnn1)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 91060075 LFQQCXSJTLIQGP-WCQYABFASA-N 325.731 1.112 0 40 EDAB CN(C[C@@H]1CN(C[C@H](O)c2ccc(F)cc2)CCO1)c1cccnn1 83859237 UTJBHGODMQESJI-SJORKVTESA-N 346.406 1.486 0 40 EDAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCC(=O)N(C)C1 71915351 OFOOPYZDPZSHJK-HOCLYGCPSA-N 349.406 1.317 0 40 EDAB C[C@@H]1CN(C2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)CCO1 70039841 VDMZQOCVCAGURF-CQSZACIVSA-N 332.448 1.473 0 40 EDAB CC[C@H](O)CN1CCN(C(=O)CCc2ccc(OC)c(F)c2)CC1 70008311 BGVGSAFYFSHLRV-HNNXBMFYSA-N 338.423 1.682 0 40 EDAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1cccc(OCC(F)F)c1 69323324 QEIURBZQBQGIOB-LBPRGKRZSA-N 347.383 1.772 0 40 EDAB CCc1cc(N2CCC[C@H]2C(=O)N2CCSCC2)n2ncnc2n1 69325506 ZLOBSZFZACOCGG-ZDUSSCGKSA-N 346.460 1.231 0 40 EDAB COc1ccc(C(=O)N[C@@H](C)C(C)C)cc1S(=O)(=O)N(C)C 17054900 PBCWGCDMMFCYNY-NSHDSACASA-N 328.434 1.720 0 40 EDAB COc1ccccc1[C@H]1C[C@H]1NC(=O)Cc1ccc(-n2cnnn2)cc1 69527636 SGBQSZIPXGWOEE-IAGOWNOFSA-N 349.394 1.886 0 40 EDAB NS(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2CCO)cc1 69534620 HNJHTASRZBDEEC-GFCCVEGCSA-N 327.406 1.103 0 40 EDAB Cc1nnc2n1CCN(C(=O)Cn1c(C3CC3)nc3ccccc31)C2 69531933 ANGOROJZKBAYRC-UHFFFAOYSA-N 336.399 1.856 0 40 EDAB CCc1nnc2n1CCN(C(=O)c1ccc(-c3ccccc3)[nH]c1=O)C2 69514081 JEWAXDOXXLYEHW-UHFFFAOYSA-N 349.394 1.852 0 40 EDAB Cc1n[nH]c2cc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)ccc12 91827923 KRTYKILTNKJQEU-LLVKDONJSA-N 336.417 1.481 0 40 EDAB COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 83943810 GMKDOPLYWJXQQO-OKYOBFRVSA-N 344.455 1.856 0 40 EDAB c1cnnc(N2CCC[C@@H](NCc3nc(-c4ccoc4)no3)C2)c1 69741790 QCXKQSGBSNUWNI-CYBMUJFWSA-N 326.360 1.878 0 40 EDAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)N(C)Cc1ccco1 69709070 FIFJLNFOMDUYKP-IRXDYDNUSA-N 333.432 1.713 0 40 EDAB CNS(=O)(=O)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)CC1 69738094 YURZQFQOUDESHO-CHWSQXEVSA-N 342.486 1.700 0 40 EDAB O=C(c1cnccn1)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 306128562 HENSBHJLAYXLBY-CQSZACIVSA-N 340.383 1.320 0 40 EDAB CC(=O)NC1(C(=O)N2CCC[C@@H]2Cn2cccn2)CCC(C)CC1 69895654 OSKBFUMJTRGOJN-BFHRDPOASA-N 332.448 1.959 0 40 EDAB C[C@H](c1nc(C2CC2)no1)N1CCN(c2ccc3nncn3n2)CC1 69878892 LIPDAVKCCVCQEV-LLVKDONJSA-N 340.391 1.268 0 40 EDAB COCCN1CCN(Cc2nc(-c3ccccc3OC)no2)CC1 69814956 SQXBAWRVNGEBQD-UHFFFAOYSA-N 332.404 1.509 0 40 EDAB Cc1cccc2c1OCC[C@H]2NC[C@@H]1CNc2c(C(N)=O)cnn2C1 69969934 UTSHSSZJEIOLGZ-IUODEOHRSA-N 341.415 1.446 0 40 EDAB COC(=O)Cc1c(C)nc2nc(NCc3ccccc3F)nn2c1O 18219955 YYUMUGCLZJQCBP-UHFFFAOYSA-N 345.334 1.605 0 40 EDAB Cc1cc(=O)c(C(=O)N2CCCN(C)CC2)nn1-c1ccccc1F 96956465 VKHUWUKWEPDVRY-UHFFFAOYSA-N 344.390 1.458 0 40 EDAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 8844908 ZURORDZMHLZDAZ-UHFFFAOYSA-N 347.371 1.507 0 40 EDAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)o1)C2 72280636 DMTDGTSQNJCUDB-LLVKDONJSA-N 337.401 1.074 0 40 EDAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCc2nc(C)cn2C1 72278931 AAYAQUMGZIKZIF-CYBMUJFWSA-N 347.440 1.730 0 40 EDAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccnn1C 97142517 NNHAJBGODPFYHL-PBHICJAKSA-N 327.432 1.740 0 40 EDAB O=C(CCn1cccn1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 95414285 LHQOYXPPOGPYGK-ZWKOTPCHSA-N 340.427 1.385 0 40 EDAB CNC(=O)C1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1 89386040 JFVFOAIUWXVASJ-UHFFFAOYSA-N 333.417 1.142 0 40 EDAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(N)=O)n2C)cc1 409131448 XXWZMLKIIWRJOQ-SNVBAGLBSA-N 333.417 1.192 0 40 EDAB Cc1sc(=O)n(CCC(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1C 75092544 IQGKTVWDHKLLNU-HOCLYGCPSA-N 332.425 1.691 0 40 EDAB CC(C)OCC[C@H]1CCCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 89887835 WFNBCOGXMUPTFK-UONOGXRCSA-N 332.466 1.553 0 40 EDAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H](C)C(=O)NCc1cccs1 89948665 JCUWUGGNVBZLSA-BJJXKVORSA-N 337.489 1.989 0 40 EDAB CCOC(=O)CN(C)C(=O)CN1C[C@H](C)Oc2ccc(Cl)cc21 76089619 GXNBYLUFAPERIR-NSHDSACASA-N 340.807 1.949 0 40 EDAB CCn1c(C(=O)N2CCN(CC[S@](C)=O)CC2)cc2ccccc21 76020363 BRCNKGKCZZQZIX-XMMPIXPASA-N 347.484 1.798 0 40 EDAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)N1CCCCC1 1547201009 HKAKCWPPFDMESZ-UHFFFAOYSA-N 341.371 1.046 0 40 EDAB CC[C@H](C)[C@H](CO)NC(=O)CCc1c(C)nc2cc(O)nn2c1C 504234515 QHBUWFDSIGAPQM-HZMBPMFUSA-N 334.420 1.508 0 40 EDAB COc1ccc(S(=O)(=O)c2cnc(N3CCCC3)nc2N)cc1 71772020 NJXWJOKSOXACAR-UHFFFAOYSA-N 334.401 1.500 0 40 EDAB CN(Cc1ccc(Br)o1)c1ncccc1S(N)(=O)=O 79037610 GMUWPLBYCORESH-UHFFFAOYSA-N 346.206 1.721 0 40 EDAB Cn1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cn1 74716966 FFNFXPIFVFPHQB-UHFFFAOYSA-N 328.372 1.107 0 40 EDAB Cc1cccnc1Nc1cc(CC2CCN(CC(N)=O)CC2)ncn1 72383578 BYDQPBLEEZRXDL-UHFFFAOYSA-N 340.431 1.663 0 40 EDAB Cn1cc(C(=O)N2CC[C@@H](c3ccc4sc(N)nc4n3)C2)cn1 72368547 VVOGQLCKOKJYHF-SECBINFHSA-N 328.401 1.637 0 40 EDAB Cc1ccccc1CC(=O)NCCn1nc(-n2cccn2)ccc1=O 70640976 ZCUIZEPITSNXGL-UHFFFAOYSA-N 337.383 1.096 0 40 EDAB COC(=O)[C@](C)(CNC(=O)N[C@@H]1CC[C@H](N(C)C)C1)c1ccccc1 225594340 ALDIAYLFLKCPAA-JTDSTZFVSA-N 347.459 1.899 0 40 EDAB O=C(CNC(=O)c1ccccc1)Nc1cnc(N2CCCC2)nc1 75161786 TUROMQVZQZJWJE-UHFFFAOYSA-N 325.372 1.445 0 40 EDAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCO 223571361 FPFPMMFFUWYKDL-HOTGVXAUSA-N 346.456 1.494 0 40 EDAB COc1ccc(O[C@H]2CCN(C(=O)NCCc3ccccc3)C2)nn1 225440570 YLZULXYEDMQZQX-HNNXBMFYSA-N 342.399 1.891 0 40 EDAB Cn1nccc1C1CCN(C(=O)c2ccnc3c2nnn3C)CC1 328662121 AJXGALCSKNQNAH-UHFFFAOYSA-N 325.376 1.117 0 40 EDAB C[S@@](=O)c1ccc(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 80146231 WCPBKAHCROZZRE-CMJOXMDJSA-N 335.473 1.708 0 40 EDAB O=S(=O)(C1CC1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 96109026 MZKVEXVJQFOBRJ-CJNGLKHVSA-N 338.429 1.039 0 40 EDAB Cc1ccc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)o1 93562041 RFZUFCFWYLIUKT-UHFFFAOYSA-N 343.431 1.537 0 40 EDAB O=C([C@@H]1CCC2(CCN(c3nncs3)CC2)CO1)N1CCCC1 96224937 XDXJGDWMUJOQHC-ZDUSSCGKSA-N 336.461 1.926 0 40 EDAB CN(C)C(=O)COC[C@@H]1CN(Cc2cccnc2)Cc2nccn2C1 96066839 DYTAIZDICLAWJN-MRXNPFEDSA-N 343.431 1.015 0 40 EDAB Cc1cnc(C2CCN(C(=O)N[C@H]3CC[S@@](=O)C3)CC2)s1 582055884 IMISIZFRKNMGHU-LAJNKCICSA-N 327.475 1.862 0 40 EDAB CCN1C[C@H](C(=O)N2CC[C@H](COCc3ccccc3)C2)CC1=O 96426027 ZPWCVJUSADQNRV-DLBZAZTESA-N 330.428 1.920 0 40 EDAB O=C([C@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCCCO1 97953647 ZNHGBVHEBZIDFM-MELADBBJSA-N 337.445 1.534 0 40 EDAB c1cc(N2CCOCC2)nc([C@H]2COCCN2Cc2nccs2)n1 96217420 BHPPIZYMDNUACM-CYBMUJFWSA-N 347.444 1.343 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccccn2)Cc2ccnn2C1 96189068 ZOYUXTCQXLXILO-HNNXBMFYSA-N 343.431 1.015 0 40 EDAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCc1cccc(F)c1 96344566 CVTDNPWBJFGZHI-UHFFFAOYSA-N 329.375 1.620 0 40 EDAB Cc1ccc(F)c(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 583616334 GUFJZOAFIAMIGU-YUELXQCFSA-N 343.420 1.685 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)no1 96200266 MWLDTOYCEDZDAC-DLBZAZTESA-N 344.415 1.969 0 40 EDAB C[C@@H](NCCN1CCN(C(=O)C2CCCC2)CC1)c1cnn(C)c1 96477540 NUVVOWRIANXQKI-OAHLLOKOSA-N 333.480 1.405 0 40 EDAB CC(C)CN1CCS(=O)(=O)[C@@H]2CCN(C(=O)C3CC3)CC[C@@H]21 96251570 UZJQFFQVMKJZFV-LSDHHAIUSA-N 328.478 1.142 0 40 EDAB O=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(Cc3cccnc3)C2)C1 96225605 SXSUUYVHKASKHN-MAUKXSAKSA-N 344.415 1.098 0 40 EDAB CCc1nnc2n1C[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)CC2 97198582 MJWFMICPQWQXMS-NSHDSACASA-N 346.435 1.585 0 40 EDAB COc1cc(N2CC3(C2)OCC[C@@H]3COc2cccnc2)ncn1 247882303 JKKUUVZLGWXTAC-CYBMUJFWSA-N 328.372 1.555 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC[C@H]2c2nc(C)cn2C)c1C 257232665 GLWILMBVTIWVAU-ZDUSSCGKSA-N 337.449 1.779 0 40 EDAB CCn1cc(S(=O)(=O)N2Cc3ccccc3NC(=O)[C@H]2C)cn1 585115019 JFXAXFRWSJVKBP-LLVKDONJSA-N 334.401 1.435 0 40 EDAB CCCN(CCC)S(=O)(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 585114682 RFGIMFVIPXSPIN-AWEZNQCLSA-N 345.509 1.590 0 40 EDAB CCOc1ccc2nnc(CNC(=O)c3cc(C4CC4)on3)n2n1 253472303 LHFQLAGBEXRFKI-UHFFFAOYSA-N 328.332 1.318 0 40 EDAB Cc1c(CN2C[C@H]3CC[C@@H](N(C)c4cccnn4)[C@H]3C2)cnn1C 257209988 BSRDCGFEMSOURR-HYVNUMGLSA-N 326.448 1.865 0 40 EDAB Cc1cc(C(=O)N(C)C[C@]2(O)CCCN(c3ccccn3)C2)on1 257305365 SPQSJQOAPSZNJZ-QGZVFWFLSA-N 330.388 1.482 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C2)n(C)c1 27026437 DSTBQLJEJCDCQA-UHFFFAOYSA-N 333.413 1.132 0 40 EDAB CN(C)c1cnc(C[C@H]2CCCN(C(=O)c3c[nH]cn3)CC2)cn1 257200963 AFNPNFKVQCQHNJ-ZDUSSCGKSA-N 328.420 1.751 0 40 EDAB CN(C)c1nccnc1[C@@H]1CN(C(=O)Cc2ccsc2)CCO1 257208305 BLOHXAXSMAAKIK-ZDUSSCGKSA-N 332.429 1.747 0 40 EDAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccs3)C2)ncn1 257286103 PKGZWBHLFWCHBW-MRXNPFEDSA-N 332.429 1.560 0 40 EDAB O[C@H](CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)Cn1cccn1 286223704 YUWSPXWRTLTILM-MKXGPGLRSA-N 327.428 1.749 0 40 EDAB COCCn1c(C(=O)N2CC[C@@H](C(=O)N(C)C)C2)cc2ccccc21 1615049434 RMOQKFCQJBHPNC-OAHLLOKOSA-N 343.427 1.838 0 40 EDAB CCN(CC)C(=O)CCC(=O)N[C@H]1CCC[C@@H]1N1CCC(O)CC1 1615051571 HVBDAMNILHBPBT-HOTGVXAUSA-N 339.480 1.129 0 40 EDAB CCOC1(C)CN(C(=O)N[C@H]2CCCc3cnn(CCOC)c32)C1 1615003409 GTVWBWDKJBXQQI-AWEZNQCLSA-N 336.436 1.727 0 40 EDAB N[C@@H]1C[C@@H]2C[C@H](C(=O)N3CCn4cnc(C(F)(F)F)c4C3)C[C@H]21 1615549619 WLKMQDBDSZRQIT-UKKRHICBSA-N 328.338 1.618 0 40 EDAB CC1(C)CC(CN(Cc2nnc3n2CCOCC3)S(C)(=O)=O)C1 1615549796 JFSMQTOLLSCJJZ-UHFFFAOYSA-N 342.465 1.049 0 40 EDAB CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1nccn1C 1615587972 BCBDVQUQOBZWRB-HOCLYGCPSA-N 342.399 1.304 0 40 EDAB O=C([C@@H]1CSCCS1)N1CCC[C@@H](NCC(F)(F)F)C1 1615586800 SIRMUJOFCSFJQZ-ZJUUUORDSA-N 328.425 1.978 0 40 EDAB Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)C1 1616053240 QDLZLMWKUBHPJP-OAGGEKHMSA-N 346.456 1.880 0 40 EDAB CC(C)CC(=O)N1CC2(C[C@@H](OCC(=O)N3CCCC3)CS2)C1 575402341 AWJJPWJATWOKQX-CQSZACIVSA-N 340.489 1.758 0 40 EDAB CC(C)CCC(=O)N1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1 575405524 IVBNEVGSCRLCCA-INIZCTEOSA-N 335.448 1.740 0 40 EDAB O=C(NC1CC(F)(F)C1)[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21 575404101 LNDLHTFAPYHRFM-ZDUSSCGKSA-N 338.358 1.480 0 40 EDAB CCOCC(=O)N1CCn2cc(C(=O)NCc3ccco3)nc2[C@@H]1C 585096609 VYIHURGOOIGDNM-LBPRGKRZSA-N 346.387 1.346 0 40 EDAB CCCc1n[nH]cc1C(=O)N1CCO[C@@](CO)(Cc2ccccc2)C1 585277654 OGDPXUCZSIIISI-IBGZPJMESA-N 343.427 1.808 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1ccnc(O)c1 585288348 WRELUUBEUVQIBG-SCLBCKFNSA-N 347.415 1.466 0 40 EDAB CNC(=O)C[C@@H]1CN(C(=O)C2CC(F)(F)C2)Cc2cccn2C1 585099044 FZCLEZROUSNKBI-NSHDSACASA-N 325.359 1.628 0 40 EDAB CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)NC(=O)N[C@]1(O)C(F)(F)F 35026144 WASXVRSKFWQIIC-COPLHBTASA-N 346.305 1.779 0 40 EDAB CN(C)C(C)(C)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 45137171 PKVKIUNVTJYDGT-INIZCTEOSA-N 343.471 1.985 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 48431395 YNPMLDDVUNOYGL-JKSUJKDBSA-N 329.404 1.342 0 40 EDAB COCCN1CCC(CNC(=O)c2ccc(OC)cc2OC)CC1 38582905 UZGYZCSYSUCINC-UHFFFAOYSA-N 336.432 1.792 0 40 EDAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCC[C@H](C(F)(F)F)C1 40462054 QCJDVSPLRZCXNJ-SDDRHHMPSA-N 344.333 1.739 0 40 EDAB Cc1cc(C(=O)NC[C@H](C)Nc2ncncc2Cl)ncc1C(N)=O 1098275731 LXKDCTUHMNQJKH-VIFPVBQESA-N 348.794 1.163 0 40 EDAB CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(=O)n(C)n1 95954465 QMPRPRRPWXOSNM-UHFFFAOYSA-N 332.379 1.123 0 40 EDAB COc1cc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)ncn1 893610870 DAAQIVQBOBLPGU-UHFFFAOYSA-N 328.420 1.030 0 40 EDAB O=C(c1csnn1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615160436 RHCDFKSFWDFCJG-INIZCTEOSA-N 344.396 1.186 0 40 EDAB Cn1nccc1CN1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 12142564 IPRMIXZIZFSEBG-SUMWQHHRSA-N 340.431 1.309 0 40 EDAB CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 12157973 FZPDGWWZFHTUKH-IHRRRGAJSA-N 337.445 1.738 0 40 EDAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc3nsnc3c1)C2 12733228 GQTZJQUCFILJGO-UHFFFAOYSA-N 327.369 1.282 0 40 EDAB CCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C 14117453 BBLLBUUYLYFYOE-ZBFHGGJFSA-N 347.459 1.780 0 40 EDAB O=C([C@@H]1CCCNC1)N1CCC(O)(Cn2ccc3ccncc32)CC1 19404708 XBIATYIXNZTFJI-MRXNPFEDSA-N 342.443 1.389 0 40 EDAB C[C@@]1(NC(=O)Nc2nc3ccccc3s2)CCS(=O)(=O)C1 151509247 OKLNOWZTZJUXHM-CYBMUJFWSA-N 325.415 1.995 0 40 EDAB O=S(=O)(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccccc1Cl 252484841 GJIBLGAVMYAMCS-RAIGVLPGSA-N 331.821 1.955 0 40 EDAB Cc1noc(CN2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)n1 1888864462 YEKPJLCENVPULX-KBPBESRZSA-N 340.431 1.533 0 40 EDAB COc1ccc(S(=O)(=O)N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)cc1 1888879422 QXYZQMJYLVTJIB-ZIAGYGMSSA-N 336.457 1.800 0 40 EDAB Cc1csc2c(N3CCO[C@@H](C(=O)N4CCCC4)C3)ncnc12 1889114160 KXNNJKNPTNSALW-GFCCVEGCSA-N 332.429 1.827 0 40 EDAB O=S(=O)(CCOc1ccccc1)N1CC(Oc2cccnc2)C1 238875242 NWMWQPDKGZXMQI-UHFFFAOYSA-N 334.397 1.553 0 40 EDAB COc1ncc(C(=O)NCc2nc(-c3cc(C4CC4)on3)no2)cn1 238978373 ZZKUPNKXKWLXOY-UHFFFAOYSA-N 342.315 1.331 0 40 EDAB Cc1cnc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)s1 2087126112 YUZJXIUWFDCESM-NSHDSACASA-N 331.388 1.914 0 40 EDAB CN1CCO[C@@H]2CN(C(=O)c3ccc4c(ccn4C)c3)CC[C@@H]2C1 1565553324 UJWXZWAGOJGMFL-SJLPKXTDSA-N 327.428 1.971 0 40 EDAB COc1cccc(NC(=O)N2CCN(c3cnsn3)CC2)c1OC 1565523078 YJIFJNXQVQPDCU-UHFFFAOYSA-N 349.416 1.909 0 40 EDAB CC1CC(C(=O)N2CC[C@H]3C[C@@H](C(=O)NCc4ccco4)O[C@@H]3C2)C1 1565545402 HPPIAQMCVWZXIC-QGWWVEAQSA-N 346.427 1.948 0 40 EDAB Cc1ccc(O)c(NC(=O)C[C@@H](NCc2cccnc2)C(=O)O)c1 4330018 ZMCIRVOMIHZABL-CQSZACIVSA-N 329.356 1.667 0 40 EDAB O=C(NCc1nnnn1-c1cccc(F)c1)c1ccc2c(c1)OCO2 10593358 KQSUPOQSKGPALF-UHFFFAOYSA-N 341.302 1.460 0 40 EDAB COCCn1ncc2c1COC[C@H]2CNC(=O)CCc1ccc[nH]1 2055756372 JMDQTNPCCNLLSR-CYBMUJFWSA-N 332.404 1.220 0 40 EDAB O=C([C@@H]1CN(c2nc3ccccc3[nH]2)CCO1)N1CCSCC1 2298051556 GONBEGFJELISLC-AWEZNQCLSA-N 332.429 1.344 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)Cc2cccc3cccnc23)CC1 40497333 ZPNSPLIDDYZPLY-UHFFFAOYSA-N 347.440 1.318 0 40 EDAB O=C(NC[C@H](O)c1ccccc1)c1ccc(Cl)cc1-n1cnnn1 20426745 KWCZGLQXFNZBNE-HNNXBMFYSA-N 343.774 1.779 0 40 EDAB CCN(CC)C(=O)[C@@H](c1ccccc1)S(=O)(=O)c1nncn1C 40539983 JMRZYGXPZPSEIC-CYBMUJFWSA-N 336.417 1.199 0 40 EDAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCn1cccn1 40504672 MFOGTUOSNXSYJP-INIZCTEOSA-N 328.416 1.844 0 40 EDAB Cc1cccc(-c2noc(CN3C(=O)N[C@]4(CCSC4)C3=O)n2)c1 32319741 IOTPDOUBORYEQL-INIZCTEOSA-N 344.396 1.973 0 40 EDAB Cc1cc(NC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)no1 21471788 DQOYILYALFOKEC-CMDGGOBGSA-N 335.385 1.854 0 40 EDAB CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 32904833 MTCVVLYNSSUJBT-UHFFFAOYSA-N 328.434 1.530 0 40 EDAB COc1ccc([C@H](O)CN2CCN(c3ncccn3)CC2)cc1F 52798555 VHBGZHAUCXVNBQ-OAHLLOKOSA-N 332.379 1.480 0 40 EDAB Cc1cccc(Cn2cnc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)n2)c1 103155316 VUUDZOQXRNXWAO-KBUPBQIOSA-N 338.367 1.302 0 40 EDAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cn2cccnc2n1 53455442 NWVFDDHHKVHHTO-LLVKDONJSA-N 342.384 1.429 0 40 EDAB CN(C)[C@@H](CNC(=O)c1cccnc1N1CCOCC1)c1ccco1 41976221 IXCIFVRSWPQLDU-HNNXBMFYSA-N 344.415 1.544 0 40 EDAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(OCc2ccccc2)CC1 42003516 KCBSXXTUTVNOFO-OAHLLOKOSA-N 337.441 1.629 0 40 EDAB CCNC(=S)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 54254364 GQINZJZCZRHMMD-UHFFFAOYSA-N 340.880 1.791 0 40 EDAB Cc1cc(CN2CCN(C(=O)c3cccnc3N(C)C)CC2)on1 42855961 CMCLCTANARYDEF-UHFFFAOYSA-N 329.404 1.402 0 40 EDAB CN1C(=O)N(CC(=O)/N=c2/sccn2C)C(=O)C12CCCCC2 105607551 NWKKJMCQRXHSGC-DTQAZKPQSA-N 336.417 1.111 0 40 EDAB O=C(NCc1ccco1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24476290 NERUWEBBICUQRI-NSHDSACASA-N 328.324 1.678 0 40 EDAB CCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 6288595 COAYHPIKPDXWNG-CYBMUJFWSA-N 340.445 1.626 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NC[C@H](OC)c2ccccc2)o1 56468731 HNCOACFQQGHXSC-ZDUSSCGKSA-N 338.385 1.305 0 40 EDAB CC[C@H](C)NC(=O)NC(=O)CN1CCN(c2ccccc2F)CC1 35279531 HHSRXNVLBHGOIB-ZDUSSCGKSA-N 336.411 1.572 0 40 EDAB COC(=O)c1ccc(CNC(=O)COc2c(OC)cccc2OC)o1 8783062 CHKXXSBLZRDIGH-UHFFFAOYSA-N 349.339 1.779 0 40 EDAB O=S(=O)(c1ccccc1)c1nnn2c1nc(O)c1sccc12 57509546 GCEFRNKEMCVVJP-UHFFFAOYSA-N 332.366 1.877 0 40 EDAB COCCN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1=O 97051970 PCFVVEMDFYSKOM-UHFFFAOYSA-N 332.379 1.506 0 40 EDAB Cc1nnc(Sc2nccc(C(F)(F)F)n2)n1CC(=O)N(C)C 58161503 IYNCPZAQVMTSJD-UHFFFAOYSA-N 346.338 1.635 0 40 EDAB Cc1nnc(-c2ccc(NC(=O)C(=O)NCc3cccnc3)cc2)o1 44890359 JOACJOVDVIMGEX-UHFFFAOYSA-N 337.339 1.695 0 40 EDAB CC[C@@H](CC(=O)N1CC[C@]2(C1)NC(=O)NC2=O)c1ccc(C)cc1 72291702 MZSCVPHZUZZIGE-SCLBCKFNSA-N 329.400 1.689 0 40 EDAB Cc1cc(CS(=O)(=O)[C@H](C)C(=O)NCCc2ccccc2)on1 44909142 GKEGXJFYKXYAQE-CYBMUJFWSA-N 336.413 1.645 0 40 EDAB Cn1ncc2c(=O)n(CC(=O)Cc3c(F)cccc3Cl)cnc21 44978241 QYUKTAZZKNSEJS-UHFFFAOYSA-N 334.738 1.734 0 40 EDAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)[C@@H]1C 104542502 CCNNWTCLHPDYOM-PGWIBHFQSA-N 330.428 1.734 0 40 EDAB Cc1cc2ccccc2n1CC(=O)NCC1(C(N)=O)CCOCC1 47931145 OKBSYGBJPQCVLX-UHFFFAOYSA-N 329.400 1.348 0 40 EDAB CN(C)c1ccc(C(=O)N2CCN(C(=O)c3cnccn3)CC2)cc1 58305821 PQRBAFWGSXNYOF-UHFFFAOYSA-N 339.399 1.141 0 40 EDAB O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@H]1CN1CCCC1 58368150 JUQDUAIYQXURST-QGZVFWFLSA-N 340.431 1.292 0 40 EDAB CN1CCN(c2ncccc2CNC(=O)Cc2cccs2)CC1 58314481 KNNGPACGWIVGSP-UHFFFAOYSA-N 330.457 1.754 0 40 EDAB CCOc1cc2c(cc1CN1CCn3c(CO)nnc3C1)O[C@H](C)C2 57822850 FIKJMUZQHKAJKQ-GFCCVEGCSA-N 344.415 1.508 0 40 EDAB CN1C[C@]2(C)CN(C(=S)NC(=O)c3ccccc3)C[C@@](C)(C1)C2O 101524128 IBVLDUKDULBWAB-QZTJIDSGSA-N 347.484 1.336 0 40 EDAB CS(=O)(=O)N1CCCN(C(=O)CCCOc2ccccc2)CC1 45319915 CXYYOTCXWRJUHC-UHFFFAOYSA-N 340.445 1.340 0 40 EDAB C[C@H](NC(=O)c1ccccc1)C(=O)NCc1cccnc1-n1ccnc1 29950992 VOZCAURIUKXPFE-AWEZNQCLSA-N 349.394 1.702 0 40 EDAB O=C(Cn1cncn1)N1CCN(c2ncc(Cl)cc2Cl)CC1 46646125 XTPSPUINFVWVHJ-UHFFFAOYSA-N 341.202 1.329 0 40 EDAB COCCCNC(=O)CNC(=O)N1CCc2c([nH]c3ccccc23)C1 12296459 CPCNSDLDRYWYDR-UHFFFAOYSA-N 344.415 1.388 0 40 EDAB biogenic Cc1nc(CN2CCC3(CC(NC(=O)c4ccncc4)C3)C2)c[nH]1 108528279 ILHBASIVYXHOJA-UHFFFAOYSA-N 325.416 1.898 0 40 EDAB C[C@H]1C[C@H]1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617588 LCEALLMHIWDAGW-WCQYABFASA-N 332.429 1.056 0 40 EDAB Cc1cccc(N2CCN([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)c1 12608566 KLAMZICSTZOCSL-CQSZACIVSA-N 341.463 1.711 0 40 EDAB COCCN1CC[C@]2(CCCN(C(=O)Cc3ccccn3)CC2)C1=O 108530304 AEMKSCCKNOXLAY-LJQANCHMSA-N 345.443 1.502 0 40 EDAB O=C(O)[C@H]1CCN(C(=O)COc2ccc(Br)cc2F)C1 62118101 IKGDEIYNGZXJHH-QMMMGPOBSA-N 346.152 1.900 0 40 EDAB COCCN(CCOC)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 3307311 HVDPRAHJAOCWOO-BBRMVZONSA-N 347.477 1.306 0 40 EDAB COc1cccc(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)c1 3408811 OBAUOZALDMFPHV-UHFFFAOYSA-N 343.339 1.981 0 40 EDAB CCc1nnc(NC(=O)c2ccccc2OCC(=O)N(C)C)s1 12924797 OZMYDOPFOVAGCB-UHFFFAOYSA-N 334.401 1.820 0 40 EDAB NC(=O)Cn1cc2c(n1)[C@H](NC(=O)c1ccc(Cl)cc1)CCC2 96002890 VGWSOGJFSRCZII-CYBMUJFWSA-N 332.791 1.829 0 40 EDAB CCC(CC)NC(=O)COC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 5223895 BDNWZHDBQZBZCS-HNNXBMFYSA-N 338.404 1.882 0 40 EDAB O=C(Cc1csc(-c2ncccn2)n1)N[C@H]1CCc2nccn2C1 65465672 SNDJMYYGJIBJDP-NSHDSACASA-N 340.412 1.470 0 40 EDAB COCCn1cc(NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cn1 65437432 ZEBNAGQKZTYCCY-BFHYXJOUSA-N 339.440 1.149 0 40 EDAB CCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 65414442 FTKXKVZUOAPXSK-CQSZACIVSA-N 333.432 1.424 0 40 EDAB COC(=O)CN(CC(=O)OC)C(=O)c1cnc(-c2ccccc2)s1 65493776 YCBUOMHUENMFIE-UHFFFAOYSA-N 348.380 1.598 0 40 EDAB O=C(NCc1ccccc1Cl)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 5452426 JKWVDHYBFFLLMD-UHFFFAOYSA-N 329.743 1.800 0 40 EDAB O=C(CSc1cccc[n+]1[O-])NC(=O)NCCc1cccs1 20033622 LCZCHKXWMJOUGB-UHFFFAOYSA-N 337.426 1.542 0 40 EDAB Cc1ccc2[nH]c3c(=O)n4c(nc3c2c1)S[C@H]1CS(=O)(=O)C[C@@H]14 67341796 MKZWIUFCZOYATJ-QWRGUYRKSA-N 347.421 1.630 0 40 EDAB CCNC(=O)N1CC[C@H](N[C@H](C)CC(=O)Nc2ccc(F)cc2)C1 90411071 JDWSRBCOUYNEFR-DOMZBBRYSA-N 336.411 1.936 0 40 EDAB COC(=O)[C@@](NC(C)=O)(Nc1ccc(Cl)cn1)C(F)(F)F 19831587 JYANCGHVWJETEK-SNVBAGLBSA-N 325.674 1.715 0 40 EDAB O=c1oc(-c2ccc(F)cc2)nn1Cc1nnnn1-c1ccccc1 16278936 YMUUQONUOBFFFL-UHFFFAOYSA-N 338.302 1.666 0 40 EDAB O=C(NC[C@H]1Cc2ccccc2O1)N1CC[C@@](O)(C(F)(F)F)C1 81478276 ICPKHPKYGBUUAT-RISCZKNCSA-N 330.306 1.699 0 40 EDAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[C@H]2CCCC[C@@H]2C1 16694864 GLVZMCISBMPCJT-ZIAGYGMSSA-N 333.432 1.890 0 40 EDAB CN(C(=O)CN1CCC(CN2CCOCC2)CC1)c1nccs1 69028465 WCVCZABWTHQOON-UHFFFAOYSA-N 338.477 1.150 0 40 EDAB COc1ccc([C@H](O)CNC(=O)NCC[S@@](=O)C(C)(C)C)cc1 70009116 ILAJIQCYQWHXSE-FATZIPQQSA-N 342.461 1.575 0 40 EDAB CC(=O)NCC(=O)NCC(=O)N[C@H](C)c1oc2ccc(F)cc2c1C 69377135 GWVPYLOXJIAIMA-SNVBAGLBSA-N 349.362 1.310 0 40 EDAB CN(C)c1ncccc1CNC(=O)N1CCC[C@@H](c2nncn2C)C1 69351438 NYQVMQZYJYOODK-CQSZACIVSA-N 343.435 1.365 0 40 EDAB Cc1nn(C)c(N(C)C)c1CNCCNC(=O)c1ccc(F)cc1 69421046 WXOONRIQXBOLRD-UHFFFAOYSA-N 333.411 1.453 0 40 EDAB C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(S(N)(=O)=O)o1 69444223 APMAPPCOIPHMTA-SECBINFHSA-N 342.804 1.941 0 40 EDAB CSCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 69460301 GGOZBTQTZILMNK-CHWSQXEVSA-N 339.465 1.145 0 40 EDAB Cc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CCCCN3C2=O)c(C)c1 69461470 MOLVHSFMSRPFMZ-HUUCEWRRSA-N 332.400 1.860 0 40 EDAB NS(=O)(=O)c1ccc(O)c(C(=O)Nc2cccc(Cl)c2)c1 69488985 JRDJBUUKIXOJCP-UHFFFAOYSA-N 326.761 1.945 0 40 EDAB Cc1nnc2n1CCN(C(=O)Cc1cc(Cl)c3c(c1)OCCO3)C2 69454016 LSNYIMZQJFYCCU-UHFFFAOYSA-N 348.790 1.596 0 40 EDAB O=C([C@H]1Cc2ccccc2O1)N1CCC(c2nnc3n2CCC3)CC1 71821309 BGHAZABFSDMCQJ-MRXNPFEDSA-N 338.411 1.934 0 40 EDAB Cn1cc(C(=O)N2CCN3CCCC[C@H]3C2)c(-c2cccnc2)n1 71839697 RPKXQWWSTJUNGV-HNNXBMFYSA-N 325.416 1.792 0 40 EDAB C[C@H](O)CN1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 71871411 FVIJPDOLOUKLEU-JTQLQIEISA-N 334.313 1.983 0 40 EDAB CN(CC(=O)N1CCC[C@H]1c1cccs1)[C@@H]1CCS(=O)(=O)C1 71834706 ITCXJRDLOJZCKX-OLZOCXBDSA-N 342.486 1.531 0 40 EDAB C[S@](=O)CCNC(=O)c1nn(-c2ccccc2F)c2c1CCC2 69667541 YMEKWHOOVKVVTC-HSZRJFAPSA-N 335.404 1.608 0 40 EDAB O=S1(=O)CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 69696480 OFSFKBLRVKVBQP-UHFFFAOYSA-N 327.793 1.620 0 40 EDAB CC1(C)CN([C@H](CNS(N)(=O)=O)c2ccc(Cl)cc2)CCO1 69628790 JBYXYZRHSDHGNV-CYBMUJFWSA-N 347.868 1.285 0 40 EDAB Cn1ncc2c1CCC[C@H]2NCc1cnc(N2CCOCC2)nc1 71809776 PIYYQWKPTCEIMF-OAHLLOKOSA-N 328.420 1.214 0 40 EDAB CN(C)C[C@H]1CN(c2nc(-c3ccncc3)nc3c2CCC3)CCO1 69774164 RHAGLCJOWOWAEJ-HNNXBMFYSA-N 339.443 1.794 0 40 EDAB O=C(CN(CCO)Cc1ccccc1)N1CCO[C@H]2CCCC[C@@H]21 69705738 NTYBRCBOYYISTA-ROUUACIJSA-N 332.444 1.651 0 40 EDAB Cc1ccnc(NC(=O)CN(C)C(=O)/C=C/c2c(C)nn(C)c2C)c1 69744092 HZNRQVDPUXGEML-VOTSOKGWSA-N 341.415 1.851 0 40 EDAB COc1ccc(S[C@@H](C)C(=O)Nc2c(C(N)=O)n[nH]c2C)cc1 69842125 KDGXPXZHOXRBFK-VIFPVBQESA-N 334.401 1.945 0 40 EDAB C[C@H]1CN(CC(=O)N(C)CC2CC2)CCN1C[C@H](O)c1ccccc1 69872713 JWDCQPPNTZCEGR-LPHOPBHVSA-N 345.487 1.595 0 40 EDAB CCn1ccnc1CN1CCCN(C(=O)CC[C@H]2CCCO2)CC1 69973176 TZMGDXRJWQNTAP-MRXNPFEDSA-N 334.464 1.897 0 40 EDAB COc1cccc(C(=O)NC[C@H](O)COCC2CC2)c1OC(F)F 83975841 NLEXVMHLKLGBBU-NSHDSACASA-N 345.342 1.814 0 40 EDAB CN(Cc1ccco1)C(=O)CN1CCCc2cc(C(N)=O)ccc21 97109114 KXUJPFTVUOLDKC-UHFFFAOYSA-N 327.384 1.790 0 40 EDAB CC[C@@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)c1noc(C)n1 72309368 QGWYLLCVPYEDQX-CYBMUJFWSA-N 349.366 1.584 0 40 EDAB CCCC(=O)N1CCC(C(=O)N[C@H](CC)[C@@H](O)C(F)(F)F)CC1 95451861 CMFBBYVTVGTEMS-DGCLKSJQSA-N 338.370 1.843 0 40 EDAB CN(CCNC(=O)CN(C)[C@H]1CCSC1)C(=O)OC(C)(C)C 95441954 AAGAKASXVYGUQJ-LBPRGKRZSA-N 331.482 1.407 0 40 EDAB CCc1n[nH]c([C@@H]2CN(Cc3nc4ccsc4c(=O)[nH]3)CCO2)n1 89289838 YGHXOYUDJXNHQI-JTQLQIEISA-N 346.416 1.239 0 40 EDAB Cc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)c(=O)[nH]1 75118593 JFTVHBDGLAUYEV-OAHLLOKOSA-N 345.399 1.388 0 40 EDAB Cc1cc(CN(C)C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)no1 89601061 MAOVKOAHGBHZIY-MRXNPFEDSA-N 343.383 1.369 0 40 EDAB Cc1ccc(C)n1-c1nc(CC(=O)N[C@@H]2CCCNC2=O)cs1 89652273 VGGYBSPJTDUEFQ-CYBMUJFWSA-N 332.429 1.488 0 40 EDAB Cc1ccnc(-n2cc(S(=O)(=O)N3C[C@@H](C)OC[C@@H]3C)cn2)c1 89701858 XFNUOMFJHMQCET-QWHCGFSZSA-N 336.417 1.374 0 40 EDAB O=C(Nc1cnn(CCN2CCOCC2)c1)[C@H]1C[C@H]1c1ccccc1 89827925 HDPQVYLASRXOEC-ROUUACIJSA-N 340.427 1.958 0 40 EDAB Cc1nc([C@H]2CCCN2C(=O)c2cccc(N3CCNC3=O)c2)no1 76046489 MSDNXMZLELCIEO-CQSZACIVSA-N 341.371 1.885 0 40 EDAB CCSc1cc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)ccn1 76042019 ITRILYQDUPKWQG-GFCCVEGCSA-N 346.499 1.753 0 40 EDAB CCn1nc2c(cc1=O)CN(CC(=O)NCc1ccc(C)s1)CC2 76064443 ZTKPOCMBCNBBBE-UHFFFAOYSA-N 346.456 1.308 0 40 EDAB CC(C)NC(=O)Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O 35315517 XVNYYZAJMCBPHG-UHFFFAOYSA-N 329.356 1.206 0 40 EDAB Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)CCOCC(F)(F)F)n1 556746877 IQLCBLLKEFUALP-KCJUWKMLSA-N 337.298 1.635 0 40 EDAB CC(C)(C)c1noc(CSCC(=O)N[C@H]2CCCCNC2=O)n1 78555752 CWDARHQKCJEITP-JTQLQIEISA-N 340.449 1.385 0 40 EDAB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)Cc1ccccc1 71980273 OYTSAOWFAIQVDX-MRXNPFEDSA-N 346.427 1.743 0 40 EDAB CN(CCN1CCCC1=O)C(=O)c1cc2c(cc1F)NC(=O)CC2 532264690 XGCIVFIKRRYYQP-UHFFFAOYSA-N 333.363 1.405 0 40 EDAB CS(=O)(=O)N1CCC[C@@H]1c1cccc(N2CCC(O)CC2)n1 72364941 NVZQZASQGKWSKV-CQSZACIVSA-N 325.434 1.139 0 40 EDAB CCN(CC)C(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1 39985234 KNUCFUKFQMYVDH-UHFFFAOYSA-N 328.434 1.574 0 40 EDAB CN1CCN(Nc2nnc(Cc3ccc(Cl)cc3)c(O)n2)CC1 32709481 GVVHTSAULYBSBO-UHFFFAOYSA-N 334.811 1.396 0 40 EDAB O=C(N[C@@H]1CCCS(=O)(=O)C1)c1csc(-c2ccoc2)n1 79310308 PFORMYOAANCYTD-SNVBAGLBSA-N 326.399 1.710 0 40 EDAB COCCNc1cc([C@H]2CCN2C(=O)c2cscn2)nc(C)n1 72387590 SUJDMEPQXHPAIS-CYBMUJFWSA-N 333.417 1.887 0 40 EDAB Cc1cccc2c(C(=O)NC3CCN(c4nnnn4C)CC3)coc12 564865548 XZXUZCRLNJHPOV-UHFFFAOYSA-N 340.387 1.664 0 40 EDAB O=C(c1n[nH]c2ccccc12)N1CCn2c(nnc2C(F)(F)F)C1 72404649 QPCRORVPBOFFGG-UHFFFAOYSA-N 336.277 1.829 0 40 EDAB Cc1cc(C)n(-c2nnc3c4ccccc4n(CC(=O)N(C)C)c3n2)n1 35181249 TWWMINVEGIQUAG-UHFFFAOYSA-N 349.398 1.870 0 40 EDAB Cc1cc(N(C)C)cc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 72367547 WWXHOORKZXONPF-HNNXBMFYSA-N 335.433 1.705 0 40 EDAB Cc1nc(-c2ccncc2)nc(NC[C@@H]2CN(C)CCN2C)c1C 71904587 SSTHGGHRWUEUPU-MRXNPFEDSA-N 326.448 1.813 0 40 EDAB C[C@@H](NCC(=O)NC1CCOCC1)c1cccc(-n2ccnc2)c1 189895128 QSBZYKFATHFWNB-CQSZACIVSA-N 328.416 1.818 0 40 EDAB Cc1cc(NCCNC(=O)N2CC[C@@](C)(C(=O)O)C2)nc(C(C)C)n1 529231325 YIHWAMMNBGNBEO-QGZVFWFLSA-N 349.435 1.827 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CC[C@@H](Oc3cccnn3)C2)c1 225420590 WMXGHXPAVFTRLM-GFCCVEGCSA-N 337.405 1.096 0 40 EDAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC1 41247417 PNYZVRUPUKOIJT-LBPRGKRZSA-N 326.418 1.293 0 40 EDAB NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 40399336 DECCIFCSFWBYQR-MRVPVSSYSA-N 333.735 1.078 0 40 EDAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NOCc1ccccc1 43544542 STKSMOOLXKQMJP-SDSIWUNFSA-N 326.352 1.042 0 40 EDAB O=C(c1nc2ccccc2s1)N1CC[C@H](N2C(=O)COC2=O)C1 225699560 HHSAACKXWAFMOD-VIFPVBQESA-N 331.353 1.490 0 40 EDAB c1cc(CN2CCOC[C@]3(CCN(C4CCOCC4)C3)C2)ccn1 96202043 DYCWPFUMKMSYNA-LJQANCHMSA-N 331.460 1.785 0 40 EDAB CS(=O)(=O)c1nccn1CC(=O)Nc1ccc(F)cc1Cl 96444634 JXWRSMSEORTPPB-UHFFFAOYSA-N 331.756 1.718 0 40 EDAB O=C1NCCN(C(=O)[C@@H]2CCOC2)[C@H]1c1ccccc1C(F)(F)F 97237918 QJCHOIAXDDJEEW-MFKMUULPSA-N 342.317 1.741 0 40 EDAB CN(C)CC(=O)N1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96224682 STHROBSLCBORLS-IBGZPJMESA-N 347.434 1.728 0 40 EDAB CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@H]([C@H](C)O)C1 96485676 QNUHVJWEPJBOLB-MAUKXSAKSA-N 332.444 1.697 0 40 EDAB COCCN1CCOC[C@@]2(CC[C@@H](CN(C)Cc3cccnc3)O2)C1 96160645 FNNWWUWDPQERJP-RBUKOAKNSA-N 349.475 1.410 0 40 EDAB Cc1ccc(N2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)nn1 96043303 NFXCYMMMVDCLED-OWCLPIDISA-N 330.432 1.543 0 40 EDAB Cc1ccsc1C(=O)N1Cc2nccn2C[C@H](Cn2cncn2)C1 96188646 DDXVZZQPYAZGKR-ZDUSSCGKSA-N 342.428 1.817 0 40 EDAB O=C(Cc1ccccc1)N1CCOC2(CCN([C@H]3CCOC3)CC2)C1 96158978 IDTHPNBHCYGTEP-SFHVURJKSA-N 344.455 1.711 0 40 EDAB CN(C)C(=O)COC[C@H]1CN(Cc2ccoc2)Cc2ccnn2C1 96189058 BTPIQTJGFHGJKB-HNNXBMFYSA-N 332.404 1.213 0 40 EDAB COCCN1C[C@H]2O[C@H](C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 96083642 CZQVYUVSPYPPQH-DVOMOZLQSA-N 334.372 1.090 0 40 EDAB CN(C)C(=O)CN1CC[C@@]2(CCCN(Cc3cccs3)C2)C1=O 96224175 BKCHZKXWSLVVOF-QGZVFWFLSA-N 335.473 1.651 0 40 EDAB CS(=O)(=O)CCN1CCN(C(=O)/C=C/C2CCCCC2)CC1 96410111 SKTUXWQMEVTWFQ-BQYQJAHWSA-N 328.478 1.312 0 40 EDAB Cn1cc(C(=O)N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)cn1 96224510 RCTOMNWDWZTGNI-SFHVURJKSA-N 339.399 1.474 0 40 EDAB Cc1cccc2c1nc1n2[C@@H](CNC(=O)C2CCOCC2)COC1 96112604 WZCAMSWENKFFMU-AWEZNQCLSA-N 329.400 1.959 0 40 EDAB biogenic,in-vitro O=C(NCC1CCC1)[C@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 96192195 ZRCUHMDWARUNSX-NSHDSACASA-N 344.337 1.715 0 40 EDAB O=C([C@@H]1CCO[C@@H]2CCN(c3ccncn3)C[C@H]21)N1CCCCO1 96043381 MYCOKUFVYKAAMH-QLFBSQMISA-N 332.404 1.262 0 40 EDAB O=C(c1ccccn1)N1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1 96053952 ICCUAOMLNBXXCG-TXEJJXNPSA-N 328.397 1.382 0 40 EDAB O=C(C1CCOCC1)N1CC2(C1)OCC[C@@H]2COCc1cccnc1 247869175 PVPUZKDXXUIWHT-QGZVFWFLSA-N 346.427 1.642 0 40 EDAB O=C(c1ccncn1)N1CC2(C1)OCC[C@@H]2COc1ccccn1 247869195 PXYHBVUTDXMAFD-CYBMUJFWSA-N 326.356 1.182 0 40 EDAB CN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](COCC2CCCC2)C1 247987036 ZLVSBEPZFSWXLL-OAHLLOKOSA-N 342.465 1.253 0 40 EDAB Cc1cc(N2CCC[C@H](c3nc(N)n[nH]3)C2)nc(-c2ccccn2)n1 585092652 IKLOQTANSKJOIK-LBPRGKRZSA-N 336.403 1.931 0 40 EDAB CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@]2(C)CO)cc1 585114883 DFGJBNHBDCUSSY-XJKSGUPXSA-N 327.446 1.490 0 40 EDAB CC(C)OCCN1CCN(c2cccc3c2C(=O)N(C)C3=O)CC1 585133022 NWBMTTDCBYNWPQ-UHFFFAOYSA-N 331.416 1.459 0 40 EDAB CCOC(=O)c1c(NS(=O)(=O)c2cn(C)c(C)n2)ccn1C 585119250 ZAKXGFGKHMMHNJ-UHFFFAOYSA-N 326.378 1.045 0 40 EDAB C[C@@H](O)c1cn(C2CN(C(=O)NCCc3ccc(F)cc3)C2)nn1 585137006 CLNSQQNVMNZELS-LLVKDONJSA-N 333.367 1.280 0 40 EDAB Cc1nccn1CC(=O)N1CCCC[C@@H]1c1cc(O)n2ccnc2n1 257325397 WSTWKUIUZWGDPZ-CQSZACIVSA-N 340.387 1.694 0 40 EDAB CNc1cnc(C[C@H]2CCCN(C(=O)c3ccnnc3)CC2)cn1 257338982 YZRXALNHOHHDCX-ZDUSSCGKSA-N 326.404 1.793 0 40 EDAB CCn1ncc(S(=O)(=O)N2CCC(c3cncc(C)n3)CC2)c1C 257319877 VUKMXNOSNXVEQS-UHFFFAOYSA-N 349.460 1.878 0 40 EDAB Cc1cc2nc(C3CCN(C(=O)c4cccnn4)CC3)cc(O)n2n1 257251135 JPNMGKLWNROKAK-UHFFFAOYSA-N 338.371 1.553 0 40 EDAB COCCN1CCC(Cc2cnc(N3C[C@@H](C)OC3=O)cn2)CC1 257229086 FWQKGZSMCGHALH-CYBMUJFWSA-N 334.420 1.723 0 40 EDAB Cc1ccccc1CC(=O)N1CCO[C@H](CCc2cc(O)ncn2)C1 257323660 WLGZPGXTAKUEPR-QGZVFWFLSA-N 341.411 1.893 0 40 EDAB CS(=O)(=O)N1CCC[C@H]1c1nccnc1-c1cncc(C(=O)O)c1 257325817 WUNZMDZEGZSIBX-LBPRGKRZSA-N 348.384 1.333 0 40 EDAB Cc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1 257282732 OVBFUAAOSLJKFQ-WMZOPIPTSA-N 329.400 1.487 0 40 EDAB CCC(=O)NCc1c[nH]nc1[C@H]1CCN(c2nccc(OC)n2)C1 1089096003 UGQCVLKRCUHLRZ-NSHDSACASA-N 330.392 1.228 0 40 EDAB CNC(=O)[C@]1(COC)CCCN1C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 606445099 YECKFIKWMCYBAV-YIOZNXECSA-N 328.412 1.326 0 40 EDAB CC1CC(NS(=O)(=O)c2cccc(N3C[C@H]4COC[C@H]4C3)n2)C1 1615046204 DYOXCRWWYCZYJV-AKJUYKBHSA-N 337.445 1.241 0 40 EDAB CC(C)(C)OC(=O)N1CC[C@@H]1C(=N)NOCc1ncnn1CCF 1615587192 CAUBQOSXFZKFGH-SNVBAGLBSA-N 342.375 1.255 0 40 EDAB CCOCC(=O)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 575403872 PGOZKEUGQUHJCR-LLVKDONJSA-N 326.393 1.723 0 40 EDAB O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2CCc1c[nH]c2ccccc12 575424723 WEOBCXYMWUDYGN-UONOGXRCSA-N 335.454 1.066 0 40 EDAB O=C([C@@H]1CCOC1)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575405649 TWOSGAJXVYCYGF-NEPJUHHUSA-N 338.404 1.723 0 40 EDAB CCCCC(=O)N1CCn2cc(CC(=O)N3CC=CC3)nc2[C@@H]1C 585098515 UMVKDHPYTMZUCT-AWEZNQCLSA-N 330.432 1.917 0 40 EDAB O=C(Nc1cccnc1)[C@@H]1CO[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]21 585108555 TYMCIZONWBYNIG-BRWVUGGUSA-N 337.379 1.807 0 40 EDAB COc1cccc([C@H]2CO[C@]3(C2)CN(Cc2[nH]cnc2C)C[C@H]3O)c1 585292113 XSVAUSCNFAZVDL-ATZDWAIDSA-N 343.427 1.846 0 40 EDAB Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CCN(C)C2 69568984 QWZBYYZSFKCJQT-UHFFFAOYSA-N 341.415 1.036 0 40 EDAB C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)nc1 32902532 WYZQBAXFZPMHGC-ZDUSSCGKSA-N 348.447 1.085 0 40 EDAB C[C@@H](CO)CNC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 54536624 QNOXDRCKBKAFCC-GFCCVEGCSA-N 337.395 1.358 0 40 EDAB O=C(NCCc1cn2ccccc2n1)[C@H]1CC(=O)N(CC2CC2)C1 40508754 OIGXXFCUPPNLIM-AWEZNQCLSA-N 326.400 1.252 0 40 EDAB C[C@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)N(C)C 57482240 NKUHCIXTCZESEZ-ZETCQYMHSA-N 342.314 1.600 0 40 EDAB Cn1cc(C[C@@H]2CC(=O)N(CCOc3ccc(F)cc3)C2=O)cn1 78964981 IEHAWDHTMUOZOE-CYBMUJFWSA-N 331.347 1.556 0 40 EDAB Cc1ncnc(OCC2CCN(C(=O)c3cnn(C)c3)CC2)c1C 1565522756 ZVKVBFNSUWQNJT-UHFFFAOYSA-N 329.404 1.758 0 40 EDAB O=C(Cc1cccc(F)c1F)N1CCN(C(=O)c2ccncc2)CC1 95433532 VZFSEANVHWJWTL-UHFFFAOYSA-N 345.349 1.887 0 40 EDAB COc1cc(CS(=O)(=O)N[C@H](C)Cc2c(C)noc2C)sn1 585115684 NYVOHJWDIOBHGC-MRVPVSSYSA-N 345.446 1.807 0 40 EDAB CC(C)(CCCO)CNS(=O)(=O)C[C@@H]1COc2ccccc2O1 585115894 YKESXEWYXZWPMS-ZDUSSCGKSA-N 343.445 1.545 0 40 EDAB CN(C)C(=O)N1CCN(c2ccnc(Cc3ccccc3)n2)CC1 97234739 QVXCYVLUHXFFFY-UHFFFAOYSA-N 325.416 1.871 0 40 EDAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@H]1CCCCNC1=O 42479487 MUUMZFLLYGHSGH-ZDUSSCGKSA-N 346.383 1.206 0 40 EDAB CN1CCN(C(=S)NS(=O)(=O)c2ccc(Cl)cc2)CC1 5375800 LLVZGWYWAJFLGT-UHFFFAOYSA-N 333.866 1.151 0 40 EDAB COCCn1c(=O)n(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2cccnc21 12221974 LUURIHPRAXFYAK-OKILXGFUSA-N 346.431 1.349 0 40 EDAB COCc1nc2nc(C)nn2c(N)c1-c1ccc(OC)c(OC)c1 13638044 UKYMEPVMZQHPOK-UHFFFAOYSA-N 329.360 1.846 0 40 EDAB Cn1nnnc1SCc1cc(O)n(-c2nc3ccccc3o2)n1 14607849 WGEBHBWBLHVUTG-UHFFFAOYSA-N 329.345 1.535 0 40 EDAB CC(=O)NCC(=O)N1CCC(c2cc3cccnc3c(O)n2)CC1 19021293 YQXUCVQNZMPYAV-UHFFFAOYSA-N 328.372 1.178 0 40 EDAB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC)(C(=O)OC)N[C@H]2c1cccs1 19500829 GZXCRRNMERKSMR-MEQWQQMJSA-N 336.413 1.335 0 40 EDAB COc1ccc2c(c1)OC1(CCN(C(=O)C3CC3)CC1)CNC2=O 19562912 RFWFLSBIXDYOJN-UHFFFAOYSA-N 330.384 1.589 0 40 EDAB COC[C@@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937717 GRZBHHGKYZNLSP-SNVBAGLBSA-N 335.791 1.784 0 40 EDAB CCc1c(C)[nH]c2ccc(C(=O)NC[C@@H]3COC[C@@H](O)[C@H]3O)cc12 643585046 HCCOBFKSTXMIEA-JLZZUVOBSA-N 332.400 1.137 0 40 EDAB O=C(NC1CCC(O)CC1)c1cnc(O[C@H]2CCOC2)c(Cl)c1 240178590 ZBQJVKYCYLAJGY-BPCQOVAHSA-N 340.807 1.936 0 40 EDAB C[C@@]12CC(=O)CC(CO)(CO)[C@H]1[C@@H](O)C[C@@]13C[C@@H]4[C@H](C[C@@H]12)[C@@]4(C)C3 253388458 WTOYNGQRGOLPNU-RIPHLNGUSA-N 334.456 1.760 0 40 EDAB biogenic,in-vitro CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C)CC2)c(C)c1 22999760 BFMBBYHZLDLYJM-UHFFFAOYSA-N 339.461 1.574 0 40 EDAB CCc1noc([C@@H](C)N2CCN(CCn3ccccc3=O)CC2)n1 591886397 DXJANSTXJQFSRO-CQSZACIVSA-N 331.420 1.173 0 40 EDAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(c2nccs2)CC1 11187647 JSCJDTCCAGZDLM-UHFFFAOYSA-N 340.412 1.686 0 40 EDAB CCC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3cnc4n3CCC4)C[C@@H]21 1014612499 LFUKTWQEYUKWSC-MELADBBJSA-N 330.432 1.596 0 40 EDAB Cc1cc(F)ccc1NCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 12917180 IQVZPWCQTKFHQJ-UHFFFAOYSA-N 332.335 1.196 0 40 EDAB CCN(C(=O)CN1CCN(C(C)=O)CC1)c1nc2ccccc2s1 15377046 HXYGUXZBGASIFM-UHFFFAOYSA-N 346.456 1.813 0 40 EDAB Cc1nn(C)c2ncc(C(=O)NC[C@@H](C)N3C[C@H](C)O[C@H](C)C3)cc12 25127316 WFIOUZMCGUTAJS-UPJWGTAASA-N 345.447 1.504 0 40 EDAB CN1CCC(NS(=O)(=O)Cc2ccc(Br)cc2)CC1 119397562 IEKVXYKEEXAGEL-UHFFFAOYSA-N 347.278 1.963 0 40 EDAB Cc1cnn(CCN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2087130543 XKHOTLRAIRVVQX-CQSZACIVSA-N 342.390 1.150 0 40 EDAB CCCc1cc(O)nc2nnc(SCC(=O)NC3CCCC3)n12 4250203 MHJVJSOYJPALNE-UHFFFAOYSA-N 335.433 1.933 0 40 EDAB COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccccc1F 4570655 LAFBTTJNWCBYSU-GFCCVEGCSA-N 331.299 1.955 0 40 EDAB O=C(CC1CC1)N1CCC[C@](C(=O)NCC2CC2)(n2ccnc2)C1 2055771502 CQFAVIDBGDGUIK-SFHVURJKSA-N 330.432 1.527 0 40 EDAB CN(C)Cc1noc2c1C[C@@H](NC(=O)COc1ccccc1)CC2 2055734537 HDSMEJVSNFURGX-ZDUSSCGKSA-N 329.400 1.789 0 40 EDAB O=C(CCCc1ccccc1)NCCOCCN1C(=O)CCC1=O 575618610 DICHMWUYJYMSDZ-UHFFFAOYSA-N 332.400 1.291 0 40 EDAB Cc1cc(-c2noc(CNC(=O)c3onc4c3CCCC4)n2)no1 585149437 SBHASQYZAZGJMX-UHFFFAOYSA-N 329.316 1.830 0 40 EDAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(C(=O)CCN)CC2)C1 72394378 PMPLUWKGJIHMFC-UHFFFAOYSA-N 345.443 1.446 0 40 EDAB CCC(CC)[C@@H](CNC(=O)c1cccnc1OC)N1CCOCC1 40059496 YKFRMYLOUCWJSZ-MRXNPFEDSA-N 335.448 1.957 0 40 EDAB CC(C)N(CCCNC(=O)Cc1ccc(F)cc1)S(C)(=O)=O 40535255 DEPYVMULDKIAPD-UHFFFAOYSA-N 330.425 1.545 0 40 EDAB CC[C@H](Sc1ccccc1)C(=O)NCCC1=NC(=O)[C@H](C)C(=O)N1 101825083 FTKIBFYKKHYOOK-ZDUSSCGKSA-N 347.440 1.755 0 40 EDAB Cc1cc(CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)no1 32774895 REBIUOWYLFKTGR-KRWDZBQOSA-N 343.383 1.467 0 40 EDAB O=S(=O)(c1cccc(-c2cn3cccnc3n2)c1)N1CCOCC1 352189 DTAMVGTXRFXASN-UHFFFAOYSA-N 344.396 1.417 0 40 EDAB C[C@@H](C(=O)NC1CC1)N1CCN(c2ncnc3sccc23)CC1 22195934 HLLKNEMDDRRBCX-NSHDSACASA-N 331.445 1.480 0 40 EDAB CCCCN(CC(N)=O)C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O 53503178 QAEIDYUAHNVJRA-CQSZACIVSA-N 335.379 1.293 0 40 EDAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 814667 XYQRKDDDBCSWIJ-UHFFFAOYSA-N 347.396 1.686 0 40 EDAB COC(=O)C1CCN(S(=O)(=O)N2CCc3ccccc3C2)CC1 24253815 XAFXIAFJCRZTFF-UHFFFAOYSA-N 338.429 1.175 0 40 EDAB C[C@H]1C[C@@H](C)CN(CCNC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 106077861 HHRLVCCQEQAXKO-MJBXVCDLSA-N 348.534 1.001 0 40 EDAB CN(Cc1cc(=O)n2nccc2[nH]1)Cc1nccn1Cc1ccccc1 78950423 MUOPXDSJWWPQFK-UHFFFAOYSA-N 348.410 1.899 0 40 EDAB C[C@H](CNC(=O)N1CCO[C@H](CO)C1)Oc1cccc(Cl)c1 79008892 SHGTYRWTWKCYIW-RISCZKNCSA-N 328.796 1.510 0 40 EDAB CCOC(=O)C(NC(=O)c1cn(C)c2ccccc12)C(=O)OCC 25980480 UNXNHDACBAZYEE-UHFFFAOYSA-N 332.356 1.403 0 40 EDAB Cn1c(=O)c2c(nc(OC/C=C\c3ccccc3)n2C)n(C)c1=O 4892048 SSXJBGUIGGOJQE-YFHOEESVSA-N 326.356 1.063 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1 7099801 CFTOLGLBBYZVEY-UHFFFAOYSA-N 339.804 1.330 0 40 EDAB CN(CC1CC1)C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 57365375 ALDDHZQOFQHCGY-UHFFFAOYSA-N 330.837 1.877 0 40 EDAB COc1cccc(/C=C2/C(=O)Nc3ccc(S(N)(=O)=O)cc32)c1 53107341 FFJOVTULPNSEHT-RIYZIHGNSA-N 330.365 1.835 0 40 EDAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 50446168 OGIACUYTWZKKEM-CYBMUJFWSA-N 340.379 1.924 0 40 EDAB CC(C)c1noc([C@@H](C)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 44586890 NBZQHGUNBZJZSS-KGLIPLIRSA-N 336.436 1.825 0 40 EDAB O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CCSc2c(F)cccc21 57939882 WTOUUUAOFZHXKV-QWRGUYRKSA-N 337.376 1.467 0 40 EDAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 44719608 PEYHXXIFRYQIEV-MNOVXSKESA-N 331.821 1.658 0 40 EDAB Cn1cc(CN2CCC[C@@]3(CO[C@H](C(=O)NCC4CC4)C3)C2)cn1 107230265 XBEOTTRNUDUXIA-WMZOPIPTSA-N 332.448 1.317 0 40 EDAB O=C(NCc1ccco1)C1CCN(c2cnnc(O)c2Cl)CC1 58283886 RUHGLSRVNPPFLN-UHFFFAOYSA-N 336.779 1.961 0 40 EDAB CC(C)c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c(O)c1 58215533 CLXIIDMNNPMDIC-UHFFFAOYSA-N 331.372 1.330 0 40 EDAB C[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1nnc2n1CCC2 44934550 SLSJNSATDBTGEF-NSHDSACASA-N 328.372 1.877 0 40 EDAB C[C@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)c1nnc2ccccn12 44948161 WIWKABMJQHMMHW-RYUDHWBXSA-N 336.417 1.293 0 40 EDAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(C(C)C)C1 44979796 AYTSVOBKMLOXAJ-GJZGRUSLSA-N 332.400 1.144 0 40 EDAB C[C@@H](COCC(F)(F)F)NC(=O)c1ccnc(-n2cncn2)c1 58341454 NZNAXSFGMCAIKQ-VIFPVBQESA-N 329.282 1.360 0 40 EDAB Cc1cc(C)c(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)c(=O)[nH]1 10457650 UIVYAAVGVJGFKX-UHFFFAOYSA-N 338.367 1.087 0 40 EDAB Cc1nnc(SCc2cc(=O)n(C)c(=O)n2C)n1C1CCCCC1 11235871 QDWYERNCSSUAQN-UHFFFAOYSA-N 349.460 1.781 0 40 EDAB Cc1cccc(OCCCNC(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 45867351 OLTXCCVRBOLUFV-AWEZNQCLSA-N 340.445 1.498 0 40 EDAB Fc1ccc(-n2ncc3c(NCCCN4CCNC4)ncnc32)cc1 27795915 MJAWGWDNLAROLD-UHFFFAOYSA-N 341.394 1.619 0 40 EDAB Cc1nn(C)c2ncc(NC(=O)[C@H]3CC(=O)N(CC(C)C)C3)cc12 29788175 STVQCXVZFWQQCU-LBPRGKRZSA-N 329.404 1.720 0 40 EDAB COC(=O)C1(NS(=O)(=O)N(C)C2CCCCC2)CCCCC1 29966396 USVFKYXVPOWFJS-UHFFFAOYSA-N 332.466 1.961 0 40 EDAB CC(=O)N1CCC(N[C@H]2C[C@@H](Cc3cc(CCO)on3)C2(C)C)CC1 67890196 TXCNHDAIIUPUHJ-KDOFPFPSSA-N 349.475 1.767 0 40 EDAB biogenic,in-vitro COCCn1nnnc1[C@H](c1ccc(F)cc1)N1CCSCC1 57613891 XXFPTXTXKRHVSI-AWEZNQCLSA-N 337.424 1.597 0 40 EDAB O=C(NC[C@H]1CCOC1)N1CCN(c2ncnc3sccc23)CC1 47067074 WSIWXWHNHFUNLI-GFCCVEGCSA-N 347.444 1.559 0 40 EDAB CN(Cc1ccc2c(c1)OCO2)C(=O)NCCN1CCCCCC1=O 47085762 OZJMZADWYTTYPQ-UHFFFAOYSA-N 347.415 1.959 0 40 EDAB CCN1CCC[C@H]1CNC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 48253126 XMZWBCPRFRNQOI-CABCVRRESA-N 345.443 1.791 0 40 EDAB Nc1cc(N)nc(SCC(=O)Nc2ccccc2OC(F)F)n1 3338888 SQKAIEOURYTKJV-UHFFFAOYSA-N 341.343 1.973 0 40 EDAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2ccccc2Cl)C1 48311734 QJXFOIMFWZIDFE-GFCCVEGCSA-N 345.852 1.563 0 40 EDAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCN(c2nccs2)CC1 48301712 UYVUCIDVRGRGCV-UHFFFAOYSA-N 345.350 1.707 0 40 EDAB Cc1ccc(O[C@H](C)C(=O)NN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 101664505 QIJPXSCIVDPSBO-SNPRPXQTSA-N 330.384 1.969 0 40 EDAB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccc(C)cc3C)N2N1 10152937 ILCZXQSXQFMBGJ-CYBMUJFWSA-N 327.388 1.558 0 40 EDAB O=C(CCn1cncn1)N[C@@H](CN1CCCC1=O)c1ccccc1 48957664 DRLDIBGKPCJLMN-HNNXBMFYSA-N 327.388 1.148 0 40 EDAB COc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)N(C)C)[C@@H]2C)cc1 13119409 ICGJEDLPZKQVHS-NWDGAFQWSA-N 341.433 1.418 0 40 EDAB NC(=O)c1csc(CN2CCC[C@@H](C(=O)NCC(F)(F)F)C2)c1 93683224 MDTPMOZIOQEWPT-SECBINFHSA-N 349.378 1.738 0 40 EDAB COc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCSC3=O)CC2=O)cc1 5060855 RIIUVDSZFGQUCH-GXFFZTMASA-N 334.397 1.196 0 40 EDAB O=C(C[C@@H]1N=C(N2CCc3ccccc3C2)NC1=O)Nc1ccccc1 13724704 OJVADVHZYPDYQN-KRWDZBQOSA-N 348.406 1.928 0 40 EDAB C[C@H]1CCCCN1C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 5109047 CXTCVMRIOOVOKH-NSHDSACASA-N 329.356 1.481 0 40 EDAB O=C(OCn1nnc2ccccc2c1=O)c1cncn1-c1ccccc1 9319089 MCODRNAPSUQICP-UHFFFAOYSA-N 347.334 1.792 0 40 EDAB Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 65401476 SHQAVTXZSPSQKD-SCLBCKFNSA-N 344.367 1.795 0 40 EDAB O=C(COC(=O)c1cnccn1)Nc1ncc(Cl)cc1Cl 6486167 ACLJYFOETHDTJH-UHFFFAOYSA-N 327.127 1.974 0 40 EDAB CC[C@H](C)NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 4510687 VZFKPGLMEHMCCT-JTQLQIEISA-N 328.390 1.096 0 40 EDAB CCONC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 14244901 PQAWSOWKVGODNX-UHFFFAOYSA-N 325.324 1.360 0 40 EDAB CC[C@H](C)N(C)CCNC(=O)Cn1cccc(C(F)(F)F)c1=O 66126270 PXJBXTZAMNJZBB-NSHDSACASA-N 333.354 1.714 0 40 EDAB COC(=O)c1occc1CN1CCCC[C@H]1C(=O)N1CCOCC1 66892881 IGHPCNXPUDWLNM-AWEZNQCLSA-N 336.388 1.280 0 40 EDAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 66932395 RVLRIGOXNXPGKT-ZANVPECISA-N 333.392 1.452 0 40 EDAB CCc1nc(CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)no1 67096636 KIUIRDKOWVCYTD-ZDUSSCGKSA-N 339.355 1.776 0 40 EDAB CCOC(=O)C1=C(CN2c3ccccc3CC[C@@H]2C)NC(=O)NC1 7360415 OOYMXVGFVPYISB-LBPRGKRZSA-N 329.400 1.958 0 40 EDAB CC(C)(C)N1C[C@H](NS(=O)(=O)Cc2ccccc2F)CC1=O 80785577 LDCZAKOCSXQORT-GFCCVEGCSA-N 328.409 1.645 0 40 EDAB COc1ccc(NC(=O)NCc2ccncc2)cc1-n1nnnc1C 71855051 YDEFCJOJCREDFZ-UHFFFAOYSA-N 339.359 1.696 0 40 EDAB CCOC[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 81499074 HEYSPXCGBGSEBF-GJZGRUSLSA-N 335.452 1.457 0 40 EDAB O=C(CN(C(=O)CSCC(=O)c1ccccc1)C1CC1)NC1CC1 69381515 SGCSCYYOLSFJHW-UHFFFAOYSA-N 346.452 1.872 0 40 EDAB Cc1ccc(N2CCCN(C(=O)c3cccc4c3OCO4)CC2)nn1 69491922 OUMKYXUKFKUDKP-UHFFFAOYSA-N 340.383 1.866 0 40 EDAB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)[C@H]1CC=CCC1 69530254 GZTYWWBNDHJVET-ZNMIVQPWSA-N 326.462 1.110 0 40 EDAB Cc1ccccc1OCCN1CCN(Cc2nnc(C)n2C)CC1 69741706 FDNMKADUYODHCU-UHFFFAOYSA-N 329.448 1.629 0 40 EDAB CC(=O)N[C@@H](C)C(=O)OC[C@H]1CCCCN1C(=O)OC(C)(C)C 69949042 VLGNFOIEQGRTCL-WCQYABFASA-N 328.409 1.844 0 40 EDAB O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)C2(O)CCCC2)C1 95990203 RCMZXZAOGMRLID-MRXNPFEDSA-N 330.428 1.641 0 40 EDAB CN(C)c1ncccc1C(=O)N1CCC(c2nnc3n2CCC3)CC1 95954306 BVPDDOWCFAYZLO-UHFFFAOYSA-N 340.431 1.705 0 40 EDAB Cc1cccnc1CNC(=O)NCCNC(=O)Cc1ccc(F)cc1 72274287 WBARBMDFVGORAD-UHFFFAOYSA-N 344.390 1.687 0 40 EDAB COC[C@H](NC(=O)N1CCN([C@@H](C)c2ccccn2)CC1)C1CC1 97143126 IWVFCLFULILMFE-YOEHRIQHSA-N 332.448 1.895 0 40 EDAB CCn1cc(C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)cn1 95993400 IJLJMYCNSZOKTC-UHFFFAOYSA-N 338.371 1.748 0 40 EDAB Cn1cnc2cc(C(=O)N3CCN(C(=O)c4ccccn4)CC3)ccc21 75045442 KTTPZCYFTXVOJZ-UHFFFAOYSA-N 349.394 1.567 0 40 EDAB CN1C(=O)C[C@H](NC(=O)c2ncncc2Cl)[C@@H]1c1ccc(F)cc1 89374750 YADQTPMFOXHUSK-WFASDCNBSA-N 348.765 1.971 0 40 EDAB CC(C)CNC(=O)[C@H](C)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2 84544297 FYABURYHLLUHCK-QWRGUYRKSA-N 347.385 1.653 0 40 EDAB C[C@H]1CN(Cc2nnnn2-c2ccccc2)CCN1c1nccs1 95351826 AKYWZGNGMPNYRJ-ZDUSSCGKSA-N 341.444 1.830 0 40 EDAB O=c1ccccn1CCN1CCN(C[C@@H](O)c2ccccc2F)CC1 95360768 PBZWYRFLQVGXFJ-GOSISDBHSA-N 345.418 1.339 0 40 EDAB CC(=O)N1CCC(C(=O)N2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)CC1 84630822 DXOPYUZZFFWANE-AWEZNQCLSA-N 349.435 1.087 0 40 EDAB CC(C)N(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1 89869684 FKBJVKOTHJVHQV-UHFFFAOYSA-N 345.424 1.926 0 40 EDAB CC(=O)N1CCCN([C@H]2CN(CCc3ccccn3)C[C@H]2C)CC1 89937257 WEFDVTLIXPQBGT-APWZRJJASA-N 330.476 1.499 0 40 EDAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCc2ccco2)cc1 408601068 DZSDDGOMBJJDNV-LLVKDONJSA-N 338.385 1.271 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)/C=C/c1cn(Cc2ccccc2)nn1 89937777 OPGMDLBTRMGGSS-HVHJFMEUSA-N 325.416 1.502 0 40 EDAB CCc1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)n(C)n1 76018314 ITHNOVOOIVXQEI-ZWNOBZJWSA-N 348.353 1.872 0 40 EDAB CC[C@@H](C)[C@H](CO)NC(=O)CSCc1nc2ccccc2c(=O)[nH]1 36358797 MEMDCXFYXOBEBH-RISCZKNCSA-N 349.456 1.680 0 40 EDAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccncc1F 306127569 GCJAXLZLWMKDLH-LLVKDONJSA-N 341.350 1.274 0 40 EDAB CCc1ccc([C@@H]2COCCN2C(=O)c2ccn(CCN(C)C)n2)o1 516583010 ZDNCXTPIBMKKSR-INIZCTEOSA-N 346.431 1.814 0 40 EDAB COC1(C(=O)N2C[C@H](c3cnn(C)c3C)[C@@H](C(N)=O)C2)CCCCC1 527579985 NPKSOFVRGFZHAC-CABCVRRESA-N 348.447 1.105 0 40 EDAB O=C(NCc1nnc2ccccn12)c1c[nH]c2c(F)cccc2c1=O 79464684 NRVRLLICIQNLEH-UHFFFAOYSA-N 337.314 1.640 0 40 EDAB O=C(Nc1cccnc1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70638074 TZBKFAWJCHWGGH-AWEZNQCLSA-N 349.398 1.912 0 40 EDAB Cc1cc(C)n([C@H](C)C(=O)N2CCCN(c3ncccn3)CC2)n1 79000190 PRUYZUKHLNFNMG-OAHLLOKOSA-N 328.420 1.590 0 40 EDAB O=C(CN1C(=O)CCC1=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 38678024 VNPRLUQORTWQIW-UHFFFAOYSA-N 341.367 1.073 0 40 EDAB O=C1CC[C@H](N2CCN(Cc3ccc4c[nH]nc4c3)CC2)CCN1 565991092 CJLJWYNPPWFJDS-INIZCTEOSA-N 327.432 1.349 0 40 EDAB Cn1cc(C(=O)N2CCC[C@@H]2c2cncc(CN3CCCC3)n2)cn1 72387941 XFHBTYYEZGLJRJ-QGZVFWFLSA-N 340.431 1.783 0 40 EDAB O=S(=O)(CCc1ccc(F)cc1)c1nnnn1-c1ccccc1 72187452 IDDVKAPYSSGYSK-UHFFFAOYSA-N 332.360 1.818 0 40 EDAB CC1(C)CN(S(=O)(=O)c2ccc(F)cc2F)[C@@H](C(=O)O)CO1 567446066 ASXWRTUEXGRIQT-SNVBAGLBSA-N 335.328 1.218 0 40 EDAB CC[C@@H]1CN(c2ccnc(C(=O)NCc3ccccn3)c2)CCN1 71758797 GKQYBDDYAOPIIM-CQSZACIVSA-N 325.416 1.595 0 40 EDAB O=C(Cn1ncccc1=O)NCc1cncc(-c2cccs2)c1 225666515 JJOJQZYIJXABQX-UHFFFAOYSA-N 326.381 1.683 0 40 EDAB O=C(c1cc(-c2cccs2)n[nH]1)N1CC[C@@H](N2C(=O)COC2=O)C1 225702496 BYIDDEQTKNFTLM-SECBINFHSA-N 346.368 1.332 0 40 EDAB CSc1nc(C)cc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)n1 226746902 OBMPNCBTSOYZSI-NSHDSACASA-N 334.445 1.638 0 40 EDAB C[C@H](C(=O)NCCn1c(=O)[nH]c2ccsc2c1=O)c1ccccc1 225806534 JRAJQSNLGFXQSD-NSHDSACASA-N 343.408 1.671 0 40 EDAB CCC[C@H](NS(=O)(=O)Cc1ccon1)c1nnc2ccccn12 81547121 GXZYYMBUOJXRAD-LBPRGKRZSA-N 335.389 1.678 0 40 EDAB CC(=O)N1CCN(C(=O)[C@H](C)N2C(=O)CCCc3ccccc32)CC1 227168728 MDBJXUSAGJEVGQ-AWEZNQCLSA-N 343.427 1.435 0 40 EDAB O[C@@H](CN[C@H]1CCc2c[nH]nc2C1)CN1CCc2ccccc2C1 575981234 CFQZEZYHLKZTHB-ROUUACIJSA-N 326.444 1.276 0 40 EDAB Cc1n[nH]c(C)c1CC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 190956749 SIRFJPUEQVDCQU-UHFFFAOYSA-N 336.342 1.944 0 40 EDAB C[C@@H](O)CNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 192530303 VBZBQJVKOWYXSG-CYBMUJFWSA-N 340.855 1.142 0 40 EDAB CO[C@@H]1COC[C@@H]1NC(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 334122351 MJFJTQBZOKIUKY-FDQGKXFDSA-N 346.383 1.220 0 40 EDAB CN(C)C(=O)N1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 96489739 VDRWWKBVRBBFQU-UHFFFAOYSA-N 331.395 1.811 0 40 EDAB COCCn1c(C)nc2nnc3ccc(C(=O)NC4CC4)cc3c21 96264276 MZYQQTDZZXKCFK-UHFFFAOYSA-N 325.372 1.827 0 40 EDAB CN1CCC(COC[C@@H]2CC[C@H]3[C@H](CCN3C(=O)C3CC3)O2)CC1 96186110 YJUCCLHLIKCGTN-BZSNNMDCSA-N 336.476 1.903 0 40 EDAB CC(C)(C)[C@@H](NC(=N)O)C(=O)NC1CCN(CC(F)(F)F)CC1 330421321 XYEDOLAUPVYBRY-JTQLQIEISA-N 338.374 1.626 0 40 EDAB Cc1ccccc1CN1CCO[C@@H]2[C@@H]1CC[C@H]2OCC(=O)N(C)C 96041571 ZWVSZOMCCLQEQY-YQVWRLOYSA-N 332.444 1.832 0 40 EDAB CC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCC4CC4)cn23)C1 96267691 MBJJJYYICMQCFO-CYBMUJFWSA-N 327.388 1.205 0 40 EDAB Cc1cnc(C(=O)N2CC[C@]3(CCCN(c4nncs4)C3)C2)cn1 96217178 WSNNMIJNERZKCG-MRXNPFEDSA-N 344.444 1.769 0 40 EDAB CCN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)CC1 96181348 BXKFHGBSOQBOOU-WMZOPIPTSA-N 329.444 1.679 0 40 EDAB Cc1ccccc1N1C[C@@]2(CCN(S(=O)(=O)C3CC3)C2)CC1=O 96238647 WCPULVXOKJJSMC-KRWDZBQOSA-N 334.441 1.916 0 40 EDAB C[C@@H](C1CC1)N(C(=O)Cn1cc(C(=O)N2CCCC2)cn1)C1CC1 97212548 BGNPXNRCLTXMAA-ZDUSSCGKSA-N 330.432 1.909 0 40 EDAB Cc1nc(CN2CCC3(CC2)C[C@@H](c2cnn(C)c2)C(=O)N3)cs1 96069607 BTQDULYARAPBHJ-HNNXBMFYSA-N 345.472 1.823 0 40 EDAB CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C)(C)C1 96501236 PAFXIFBTLVHCNJ-UHFFFAOYSA-N 337.367 1.815 0 40 EDAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@](O)(c2cnn[nH]2)C1 583617792 SGBGUGDDWZJQNP-GOSISDBHSA-N 342.399 1.182 0 40 EDAB COc1cc(F)c(F)cc1NC(=O)NCC(=O)N=S(C)(C)=O 583651722 RGZPBRZWGSSGGU-UHFFFAOYSA-N 335.332 1.349 0 40 EDAB C[C@](O)(CN1CCO[C@H](C(N)=O)C1)c1ccccc1C(F)(F)F 96441392 KICPTZLSCQXSRQ-JSGCOSHPSA-N 332.322 1.099 0 40 EDAB CC(C)N1C[C@H](C(=O)O)CN2CCN(Cc3ccsc3)C[C@H]2C1 247987275 JAQZOPBHHSIMFY-CVEARBPZSA-N 337.489 1.659 0 40 EDAB C[C@H](OCc1ccccc1)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1 245338811 OQEUIAROTJBGDF-VYDXJSESSA-N 330.428 1.919 0 40 EDAB O=C(CN1CCN(c2ccc(C(F)(F)F)nc2)CC1)N1CCCC1 585132937 HYZHLKMZIQBTDT-UHFFFAOYSA-N 342.365 1.845 0 40 EDAB O=C(Cn1ccnc1)N1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 257209514 BQSQBHYNGNDPEZ-HOTGVXAUSA-N 333.363 1.453 0 40 EDAB CN(C)Cc1cnc(CC2CCN(C(=O)c3cnn(C)c3)CC2)cn1 257222046 DRQWSADBGQYZRN-UHFFFAOYSA-N 342.447 1.367 0 40 EDAB Cc1nc(C(=O)N2CCO[C@H](CCc3ccnc(N(C)C)c3)C2)co1 257208892 BNYNTNHFUAIHKF-OAHLLOKOSA-N 344.415 1.918 0 40 EDAB Cc1cccnc1C(=O)N(C)C[C@]1(O)CCCN(c2cnccn2)C1 257288029 PSMMEWZSZSGTOO-GOSISDBHSA-N 341.415 1.284 0 40 EDAB CC(=O)NCc1ccnc([C@H]2CN(Cc3ccc(F)cc3)CCO2)n1 257339927 ZDTXKYFHSLXGNB-QGZVFWFLSA-N 344.390 1.825 0 40 EDAB CCCN1CCN(C(=O)c2cncc([C@@H]3CCCN(C)C3)n2)CC1 257223190 DWHOJEFZJQHDGT-OAHLLOKOSA-N 331.464 1.454 0 40 EDAB CNc1cc([C@@H]2CCCN2C(=O)c2ccc(C)n(C)c2=O)nc(C)n1 257276678 NUROJWRXFUYUEQ-HNNXBMFYSA-N 341.415 1.811 0 40 EDAB CN(C)c1cnc(C[C@@H]2CCCN(C(=O)c3cnccn3)CC2)cn1 257258666 KVAMETLPUMQKBE-CQSZACIVSA-N 340.431 1.818 0 40 EDAB CNc1nccnc1[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)CCO1 257258281 KTDHEMNDMHKRBG-AWEZNQCLSA-N 348.428 1.589 0 40 EDAB COC(=O)[C@@](C)(CNC(=O)N1CCN2CCC1CC2)c1ccccc1 252510313 ZGUXNTUYKVGSGW-IBGZPJMESA-N 345.443 1.607 0 40 EDAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@]3(C)[C@@H]2CCCCN3C)n1 257332314 XWSMEYJIJSOMBZ-YJBOKZPZSA-N 332.448 1.417 0 40 EDAB COc1cccc(CN2CCC[C@]2(C(N)=O)c2cnccn2)c1F 257231495 GGYUPVDNJDNTCR-QGZVFWFLSA-N 330.363 1.601 0 40 EDAB Cc1cnc([C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)cn1 257297366 RGYGAVWDCJNLSR-QGZVFWFLSA-N 347.440 1.762 0 40 EDAB CSC[C@@](C)(O)CNc1cc(S(=O)(=O)NCC2CC2)ccn1 1615045860 BWJZEYOELKNTCA-AWEZNQCLSA-N 345.490 1.296 0 40 EDAB CO[C@H]1CCOC[C@@H]1NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 1615618191 IWLRXZCSJALJCR-HOTGVXAUSA-N 333.363 1.474 0 40 EDAB Cc1ncc(S(=O)(=O)N2CCCNC(=O)[C@@H]2CC(C)C)s1 292851848 WLIPVVVTLSQDBW-NSHDSACASA-N 331.463 1.377 0 40 EDAB O=C(C1CC1)N1CCc2ccc(NC(=O)N3CCNC3=O)cc2C1 96103630 JYASZPDHRMKNSZ-UHFFFAOYSA-N 328.372 1.538 0 40 EDAB COCCN1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC(O)C3)[C@H]2C1 585109617 FIZGRPZCHPXKHW-AAKDXYGKSA-N 330.428 1.290 0 40 EDAB COc1ncc(CN2CCO[C@@](CO)(Cc3cccc(F)c3)C2)cn1 585277629 NTHLHQJAWBXBQA-SFHVURJKSA-N 347.390 1.430 0 40 EDAB Cc1ccc(OC[C@@]2(O)CCN(C(=O)CCN3CCCC3=O)C2)cc1 585271468 GSUNPISSWGLQRI-LJQANCHMSA-N 346.427 1.350 0 40 EDAB CCOCC(=O)N1CCn2cc(CC(=O)NC3CCCC3)nc2[C@@H]1C 585097553 LQQKVPSUSGCMAG-ZDUSSCGKSA-N 348.447 1.424 0 40 EDAB CNc1nc(C2CCN(C(=O)c3cncnc3)CC2)cn2nccc12 585178922 RTKFMUWJPHVVCQ-UHFFFAOYSA-N 337.387 1.581 0 40 EDAB CC(C)NC(=O)[C@H](C)N1CCN(c2nc3cccnc3s2)CC1 68822590 VBSQOZRDKQNSMA-LBPRGKRZSA-N 333.461 1.726 0 40 EDAB CCOC[C@H](O)CN1CCN(C(=O)Cc2ccc(C)s2)CC1 70038713 VCWVBPSWVKXTLC-CQSZACIVSA-N 326.462 1.141 0 40 EDAB O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](O)C1CCCCC1 70636681 BKJCBIPJLDEKPT-MRXNPFEDSA-N 339.457 1.908 0 40 EDAB O[C@@H](COCc1cccs1)CN1CCN(Cc2ccccn2)CC1 44892925 BGPUEJSUHANRTD-QGZVFWFLSA-N 347.484 1.838 0 40 EDAB Cc1nc(N2CC(N3CCc4sccc4C3)C2)c2cnn(C)c2n1 1776000646 COJQBMUNGXAPNJ-UHFFFAOYSA-N 340.456 1.980 0 40 EDAB C[C@H](C(N)=O)S(=O)(=O)Cc1csc(-c2ccc(F)cc2)n1 46110741 DGYQKYXSHNKPGN-MRVPVSSYSA-N 328.390 1.738 0 40 EDAB CC(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccnc2)C1 51467264 BNJRMQKIASXRJI-CYBMUJFWSA-N 325.434 1.262 0 40 EDAB CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 55010235 PEWMTXKPXGWQTL-CYBMUJFWSA-N 331.372 1.603 0 40 EDAB CN1CCN(c2ccccc2CNC(=O)NC[C@@H]2CCC[C@H]2O)CC1 74089455 AODCEAZJQGYSMQ-FUHWJXTLSA-N 346.475 1.399 0 40 EDAB CN(C)C(=O)CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 74854804 AJRIZQCBVPGDQT-KRWDZBQOSA-N 346.475 1.771 0 40 EDAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CC(N2CCCC2)C1 1259366471 SVXQHQJZWVTAIE-UHFFFAOYSA-N 332.429 1.341 0 40 EDAB [C-]#[N+]c1ccccc1Cn1c(N2CCC[C@@H](N)C2)cc(=O)n(C)c1=O 142243089 CWUUMHOGSFFUFM-CQSZACIVSA-N 339.399 1.074 0 40 EDAB O=C(Cc1cccc(F)c1)NCCc1nc(-c2ccncc2)n[nH]1 12114881 MJBMZWDTGUKPKV-UHFFFAOYSA-N 325.347 1.907 0 40 EDAB Cc1csc2nc3n(c(=O)c12)CCN(C(=O)c1cccnc1)CC3 12253277 CFLSHAROQFTMNV-UHFFFAOYSA-N 340.408 1.860 0 40 EDAB Cc1cccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1O 12816066 SMVVJMRYVVOEIP-UHFFFAOYSA-N 341.323 1.666 0 40 EDAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccccc1P(=O)(O)O 13653779 NIVHCIGPXGRAQO-RYUDHWBXSA-N 327.317 1.658 0 40 EDAB O=C(c1ccc(OC[C@@H]2CCCO2)nc1)N1CCN(C2CCC2)CC1 390825775 AQUVUNAVXCNGPN-KRWDZBQOSA-N 345.443 1.950 0 40 EDAB O=C(O[C@H]1CCOC1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390831299 RCDGUGIPTHLLPS-LSDHHAIUSA-N 339.413 1.774 0 40 EDAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(C)C)C1=O 4514021 KCZIXVGAJSSSCT-QGZVFWFLSA-N 335.379 1.755 0 40 EDAB C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)NC1CCCC1 5184079 UGWPFWPHVGJKGS-JTQLQIEISA-N 329.356 1.527 0 40 EDAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O 10198448 YPHKROGAINOYEY-DGCLKSJQSA-N 349.822 1.777 0 40 EDAB Cc1nc(N2CCN(S(=O)(=O)C3CC3)CC2)cc(C(C)(C)C)n1 1888849812 PWVNTCQSWJQPOU-UHFFFAOYSA-N 338.477 1.697 0 40 EDAB CC(C)N1Cc2cncn2[C@@]2(CCCN(C(=O)c3cc[nH]n3)C2)C1 1565544986 WIKMDGNEULBNLC-QGZVFWFLSA-N 328.420 1.462 0 40 EDAB O=C([C@@H]1[C@H]2COC[C@H]21)N1CC[C@@H]2OCCN(c3cccnc3)[C@@H]2CC1 1565548179 UZISJNDLMOYGEF-WKULXVSPSA-N 343.427 1.170 0 40 EDAB COCCO[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1Cc1ccccc1 1565556517 LYPLXWCBJQSPHU-JKSUJKDBSA-N 344.415 1.304 0 40 EDAB CCCc1cnc2c(c1S[C@H](C)C(=O)O)c(=O)n(C)c(=O)n2C 10216853 CXPFGDUPGKLZRC-MRVPVSSYSA-N 337.401 1.150 0 40 EDAB CS(=O)(=O)NCc1noc2c1C[C@H](NCC1CCCCC1)CC2 2055730059 WGBDJYYFKASQPK-CYBMUJFWSA-N 341.477 1.751 0 40 EDAB O=C(Cn1cnc2ccccc21)N1CCC[C@H](Oc2cccnn2)C1 225451510 NKPITMVZZGSYTK-AWEZNQCLSA-N 337.383 1.896 0 40 EDAB Cc1ccn(C(=O)CN2CCC(=O)NC2=O)/c(=N/C2CCCCC2)c1 102760901 PXFGZOMRQNIKNY-XDJHFCHBSA-N 344.415 1.612 0 40 EDAB COc1cccc(N2C[C@H](C(=O)Nc3ncccc3O)CC2=O)c1 40058740 DVFWLPRFISLLDY-LLVKDONJSA-N 327.340 1.787 0 40 EDAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CCO3)cc1 40498422 MQHWAAPCXVWITF-UHFFFAOYSA-N 332.381 1.199 0 40 EDAB NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2C(F)(F)F)C1 31789636 RKNTWBBWDKISRW-SNVBAGLBSA-N 330.306 1.808 0 40 EDAB Cc1ccc(CCC(=O)NCCCn2nc3ccccn3c2=O)cc1 40555962 WMKVWAZTHNXUGF-UHFFFAOYSA-N 338.411 1.944 0 40 EDAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nc(N)cc(N)n1)C2 32095295 XLNOLHNBODTYIH-LLVKDONJSA-N 332.385 1.558 0 40 EDAB CC[C@H](CNC(=O)CCn1c(=O)oc2ccccc21)N1CCCC1 32654057 YWPCRPGSMFDRAY-CQSZACIVSA-N 331.416 1.975 0 40 EDAB COc1ccc(-c2cc(N)n([C@H]3CCS(=O)(=O)C3)n2)cc1OC 41155287 DVXRMSNSSVOWBL-NSHDSACASA-N 337.401 1.509 0 40 EDAB O=C(NCC(F)(F)F)NC[C@]1(N2CCOCC2)CCSC1 41199330 XUIDSJNDANLXFF-LLVKDONJSA-N 327.372 1.056 0 40 EDAB C[C@H](OC(=O)c1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 22563981 ZDNBGIHSZFWYBU-AWEZNQCLSA-N 340.383 1.371 0 40 EDAB COCCN1CCN(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)CC1 22917323 GGECIZDRLGDSSH-KRWDZBQOSA-N 333.476 1.745 0 40 EDAB CN(Cc1ccc2c(c1)OCCO2)c1ccc(S(N)(=O)=O)cn1 23731036 TZLSPYCVWINFHC-UHFFFAOYSA-N 335.385 1.137 0 40 EDAB CN(Cc1ccc(Br)o1)C(=O)C1CCN(C(N)=O)CC1 42753143 ZSMVXJJALKUJFH-UHFFFAOYSA-N 344.209 1.791 0 40 EDAB O=C(c1cc2ccccc2o1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 24044797 VWTTUTRBUYZERB-AWEZNQCLSA-N 348.424 1.378 0 40 EDAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12 24690062 CFBLSYVRVRJJEQ-CQSZACIVSA-N 349.456 1.641 0 40 EDAB Cn1cnnc1C1CCN(C(=O)CCn2cnc3ccccc32)CC1 24692370 KHXCMWUPRITJAU-UHFFFAOYSA-N 338.415 1.961 0 40 EDAB Cc1ccc(CCC(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 24700202 UVBPKHMLDWIWQA-UHFFFAOYSA-N 332.425 1.891 0 40 EDAB COCCn1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cn1 43238389 DFGPRKJPVGQHTK-MRXNPFEDSA-N 343.431 1.926 0 40 EDAB CC[C@@H](CCO)CNC(=O)COc1cccc(NC(=O)C2CC2)c1 79074293 DNPFJKDMZGDQJU-ZDUSSCGKSA-N 334.416 1.939 0 40 EDAB CS(=O)(=O)Oc1cc(Cl)c(OS(C)(=O)=O)cc1Cl 1702831 YVDWBFMQBQTYRK-UHFFFAOYSA-N 335.186 1.670 0 40 EDAB CC[C@H](C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=O 2624788 KDWOQCZVSZICCJ-GZMMTYOYSA-N 338.351 1.884 0 40 EDAB C[C@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)NC(N)=O 4220962 KMMRWRWWMOBDFP-JTQLQIEISA-N 328.324 1.799 0 40 EDAB Cc1cnc(N2CCC[C@@H](N(C)C)C2)nc1N1CCC[C@H](N(C)C)C1 107360559 TVIOYQACCORLNZ-DLBZAZTESA-N 346.523 1.846 0 40 EDAB Cc1ccc(C)n1-c1c(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cnn1C 89652258 CIPCURSJGGGLJD-KBPBESRZSA-N 343.431 1.602 0 40 EDAB Cc1nsc2ncc(C(=O)N3CCN(CC(C)(C)O)CC3)cc12 75133745 KELRUMHRBRTOLL-UHFFFAOYSA-N 334.445 1.528 0 40 EDAB Cc1cc(CN2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)on1 44324037 WTEJUUMLYMZSMG-UHFFFAOYSA-N 342.465 1.077 0 40 EDAB CC1(C)Oc2cc(S(=O)(=O)NCc3ccncc3)ccc2NC1=O 57280379 BWZBRANBZWXYJN-UHFFFAOYSA-N 347.396 1.670 0 40 EDAB CCOc1ccc(S(=O)(=O)NCCC[n+]2cc[nH]c2)c(C)c1C 101370800 NLHYCDGQGDKLPU-UHFFFAOYSA-O 338.453 1.686 0 40 EDAB CC(=O)N1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 27565209 PLXNSHFGFATJOY-UHFFFAOYSA-N 334.807 1.402 0 40 EDAB COc1ccc(CCC(=O)NCCC(=O)NCc2cccnc2)cc1 58191539 AJYYHKCQALNAJS-UHFFFAOYSA-N 341.411 1.846 0 40 EDAB COC(=O)c1ccc(N2CCN(C(=O)c3cnccn3)[C@@H](C)C2)cc1 58264689 INPWQERAFREPQS-ZDUSSCGKSA-N 340.383 1.614 0 40 EDAB O=C(Cn1nc2n(c1=O)CCCC2)Nc1ccc(OC(F)F)cc1 89788384 KXLGKPQFDVHCLE-UHFFFAOYSA-N 338.314 1.621 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)Cn3cccn3)ccc21 44935944 QWEYNGRZTZFZLL-LBPRGKRZSA-N 348.428 1.159 0 40 EDAB C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)C[C@H]1COc2ccccc2O1 44973600 NFSSXEAUYOOMDO-OCCSQVGLSA-N 344.367 1.696 0 40 EDAB CCN(CC)Cc1nc(C2(NC(=O)c3cnccn3)CCCC2)no1 58344239 RSCUCCLTPCOONE-UHFFFAOYSA-N 344.419 1.901 0 40 EDAB Cc1noc(C)c1S(=O)(=O)NCCN1CCc2ccccc2C1 28043123 ODWPPJGHKGBEET-UHFFFAOYSA-N 335.429 1.628 0 40 EDAB CN(CC1CCCC1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 58420056 KYVMNBUZTDNPRP-UHFFFAOYSA-N 329.400 1.729 0 40 EDAB CC1CCN(CC(=O)NCc2ccccc2N2CCN(C)CC2)CC1 89929959 URTZEVUXVPFMTD-UHFFFAOYSA-N 344.503 1.787 0 40 EDAB C[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)c(F)c1 11010568 XHBWSDKYWCSCOP-IUCAKERBSA-N 347.339 1.270 0 40 EDAB CCCc1noc(Cn2nc(C)c(S(=O)(=O)N(C)CC)c2C)n1 76062309 SMMKINSPJNAUFS-UHFFFAOYSA-N 341.437 1.524 0 40 EDAB CCO[C@@H]1C[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C12CCCCC2 76022973 UGVRIDUNMZAZLX-ZIAGYGMSSA-N 349.431 1.123 0 40 EDAB Cc1nc(CN2CCN(C(=O)CSc3ccc(F)cc3)CC2)n[nH]1 76017404 KRFPAIJSIYRPLA-UHFFFAOYSA-N 349.435 1.689 0 40 EDAB C[C@H](NC(=O)NCc1ccc(N2CCCC2)nc1)c1nncn1C 45844627 UIBOMRUQQJXPKA-LBPRGKRZSA-N 329.408 1.371 0 40 EDAB O=C(O)[C@]12CCCN([C@H]3CCOC3)C[C@H]1CN(Cc1cccnc1)C2 107201589 TWSNTSOZDJTUQN-AOIWGVFYSA-N 345.443 1.469 0 40 EDAB O=C(NCCNc1ccc2ccccc2n1)N[C@@H]1CCS(=O)(=O)C1 60330637 AQHOLQOSONYGKJ-CYBMUJFWSA-N 348.428 1.133 0 40 EDAB COc1ccc(OCCN(C)C(=O)N[C@@H](C)c2nncn2C)cc1 46964441 LQCYFSDPOTUDDX-LBPRGKRZSA-N 333.392 1.605 0 40 EDAB O=C(Cc1cccc(Br)c1)NCCN1CCNCC1 50041883 PNHIRMPOIOCPJQ-UHFFFAOYSA-N 326.238 1.013 0 40 EDAB COCCn1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1=O 47301861 GEDSTAVEUJAZOU-UHFFFAOYSA-N 341.411 1.457 0 40 EDAB CC(=O)N1CC[C@H](n2c(C)cs/c2=N\c2ccc(C(N)=O)cc2)C1 104273258 SJZINBAJNIQFGV-DXQAYGFFSA-N 344.440 1.983 0 40 EDAB c1ccc(CN2CCOC[C@]3(C[C@@H](Cn4cnnc4)CO3)C2)cc1 107243816 BEHNLWDGJOFTBV-ROUUACIJSA-N 328.416 1.586 0 40 EDAB O=C(Cc1ccccc1F)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 47635548 BAIGYIQHNRISLK-NVXWUHKLSA-N 336.407 1.222 0 40 EDAB Cc1nnc(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)s1 48237452 SIZORQJBIQKAQH-SNVBAGLBSA-N 335.311 1.359 0 40 EDAB CNS(=O)(=O)c1cccc(CNC(=O)NCCc2cccnc2)c1 48272889 ZYVBXBLONGOMTA-UHFFFAOYSA-N 348.428 1.032 0 40 EDAB CC(C)N1C(=O)C[C@@H](NC(=O)c2sccc2Br)C1=O 102695749 HRAUFEIOXOUYNS-MRVPVSSYSA-N 345.218 1.776 0 40 EDAB COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2cc(C)cnc12 12735453 BXKFKIWHEPXOFC-CYBMUJFWSA-N 334.397 1.869 0 40 EDAB CCc1cc(=O)n(CC(=O)NCCOC)c(-c2ccc(F)cc2)n1 57508542 STXRYAGHTXVHDN-UHFFFAOYSA-N 333.363 1.374 0 40 EDAB C[C@@H](Sc1ccccc1C(=O)O)C(=O)N[C@@H]1CCS(=O)(=O)C1 12937217 HEKLFGLRCWOSFL-NXEZZACHSA-N 343.426 1.169 0 40 EDAB O=C(O)c1cccnc1CN1CCNC(=O)[C@@H]1c1cccc(F)c1 65387194 XCGUPDYQTMVPQD-HNNXBMFYSA-N 329.331 1.592 0 40 EDAB O=C(NCCCn1cccn1)C1=NN(c2ccccc2)C(=O)CC1 65434686 IWBYKRODGPJWGM-UHFFFAOYSA-N 325.372 1.572 0 40 EDAB Cc1nnc2n1C[C@@H](NC(=O)c1ccc(C(F)(F)F)cn1)CC2 65458009 MRKCBFZVEJEJKP-JTQLQIEISA-N 325.294 1.745 0 40 EDAB C[C@@H](c1nc(C(C)(C)C)no1)n1nnc(-c2ccc(C(N)=O)cc2)n1 65543240 ZBZPXYLGXZOUGB-VIFPVBQESA-N 341.375 1.729 0 40 EDAB CN(Cc1ccco1)C[C@H](O)Cn1c(-c2ccccc2)noc1=O 65551367 LFVJBAKKBKZMEZ-AWEZNQCLSA-N 329.356 1.589 0 40 EDAB Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 65623417 ZJEWZSOGOYXELY-CQSZACIVSA-N 349.406 1.836 0 40 EDAB COC(=O)[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 65624599 WGQVCHNQDFIRBF-JTQLQIEISA-N 331.372 1.736 0 40 EDAB CN(CC(=O)Nc1cccc(-n2cc[nH]c2=S)c1)S(C)(=O)=O 66044445 YZZVTHKJENEDQX-UHFFFAOYSA-N 340.430 1.365 0 40 EDAB NC(=O)NC(=O)CCSc1nnc(N2CCCCC2)n1C1CC1 25166536 AYGWJHRMDKQGBL-UHFFFAOYSA-N 338.437 1.280 0 40 EDAB CCn1c(=S)sc2c(=O)n(CC(=O)NC(C)C)c(C)nc21 6755899 TXQLRBQKMZRBBZ-UHFFFAOYSA-N 326.447 1.842 0 40 EDAB CC(=O)c1cccc(OCC(=O)N2CSC[C@@H]2C(=O)N(C)C)c1 66657849 QZNQWQZEPOJZTN-CQSZACIVSA-N 336.413 1.258 0 40 EDAB Cc1ccc(-c2cc(NC(=O)CSc3nnnn3C)on2)cc1 6881157 JXDUQQRFDZDIOH-UHFFFAOYSA-N 330.373 1.904 0 40 EDAB c1ccc(-c2noc(CN3CCCC[C@@H]3Cn3cncn3)n2)nc1 71878698 GJTJXURIBVLPST-CYBMUJFWSA-N 325.376 1.778 0 40 EDAB Cc1ccc(N2CCCN(C(=O)c3cccc(C(N)=O)c3)CC2)nn1 71860375 ZRNQIEYSJJWEAP-UHFFFAOYSA-N 339.399 1.236 0 40 EDAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NCc1ccccn1 71880594 LBZPGYATZPPDHQ-DLBZAZTESA-N 330.432 1.173 0 40 EDAB C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](C)N1CCN(C)CC1 71867477 VCCCWFAIJNWWQT-KBPBESRZSA-N 339.867 1.859 0 40 EDAB C[C@@H](CNC(=O)c1csc(-c2ccco2)n1)N1CCN(C)CC1 71867411 PPTIQKPVZXDTQX-LBPRGKRZSA-N 334.445 1.769 0 40 EDAB CCN1CCC[C@H]1CNS(=O)(=O)c1cc(OC)ccc1OC 71800151 NIUYUGOFBIFLKQ-LBPRGKRZSA-N 328.434 1.466 0 40 EDAB COc1ccc(CCC(=O)N2CCN([C@@H]3C[C@H](C)OC3=O)CC2)cc1 71832829 UHRUPIYATQATSH-WMLDXEAASA-N 346.427 1.476 0 40 EDAB Cc1c(C(=O)N(C)Cc2ccncc2)cnn1[C@@H]1CCS(=O)(=O)C1 95954421 UGEGSMPLKQGSRU-CQSZACIVSA-N 348.428 1.218 0 40 EDAB CC(C)N(C)C(=O)C1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 95971051 OLRVRUHXGZMCNC-KRWDZBQOSA-N 331.460 1.662 0 40 EDAB CC(C)N1CCC[C@@H](N2CCN(CC3(O)CCCCC3)CC2)C1=O 95999518 XDOINBMHACTLSX-QGZVFWFLSA-N 337.508 1.699 0 40 EDAB O=S1(=O)CCCN(Cn2nc(-c3ccccc3)oc2=S)CC1 71920493 WCBFLLGKNVUYGH-UHFFFAOYSA-N 339.442 1.951 0 40 EDAB Cc1ccc(CN(C)C(=O)c2ccc(F)c(S(N)(=O)=O)c2)o1 69350388 AGUFWAHQVAINAV-UHFFFAOYSA-N 326.349 1.647 0 40 EDAB FC(F)(F)Cn1ccnc1CN1CCO[C@@H](Cn2cccn2)C1 69392331 JLGTWPOSLLOAPU-GFCCVEGCSA-N 329.326 1.543 0 40 EDAB CCN(CC)C(=O)CNC(=O)NCCc1csc(C(C)C)n1 69369620 NXTROEAWKPTNMO-UHFFFAOYSA-N 326.466 1.977 0 40 EDAB COC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1cnn(C)c1C 17070473 AMEILJVNDXSCHG-NSHDSACASA-N 334.405 1.504 0 40 EDAB NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1 69455439 YMBVADIMCHJKSW-UHFFFAOYSA-N 343.748 1.266 0 40 EDAB CC(=O)Nc1ccc(/C=C/C(=O)N2CCCC[C@H]2CC(N)=O)cc1 69570503 GZEYANWWUOJSJK-JCVNQNCUSA-N 329.400 1.915 0 40 EDAB NC(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cn1 95956363 ORASERLFCGNVOC-CVEARBPZSA-N 343.358 1.970 0 40 EDAB CC(C)(C)OC(=O)N1CCC(C(=O)NCCN2CCCC2)CC1 9846106 LYZZERYDGJNFHO-UHFFFAOYSA-N 325.453 1.846 0 40 EDAB Cc1cc(C)n(Cc2cccc(C(=O)NS(=O)(=O)N(C)C)c2)n1 69779624 QUNTZHRRRJTDLV-UHFFFAOYSA-N 336.417 1.084 0 40 EDAB O=C1NC(=O)C2(CCC(Nc3ccc(Cn4cccn4)cc3)CC2)N1 97032784 TXEAIRMAOMBMRL-UHFFFAOYSA-N 339.399 1.864 0 40 EDAB Cc1nc(CN2CCC[C@@H](NC[C@H](O)COc3ccccc3)C2)no1 69875321 PVWAZLCTEVDTRX-CVEARBPZSA-N 346.431 1.372 0 40 EDAB O=C(CNCc1cccc(O)c1)N1CCN(c2ccccc2)CC1 69895724 ISSDIZKJEZAROR-UHFFFAOYSA-N 325.412 1.831 0 40 EDAB C[C@@H]1CN(c2ccc(NC(=O)NCC(C)(C)C(N)=O)cn2)C[C@@H](C)O1 69879284 RNUMUWLUEADCKD-VXGBXAGGSA-N 349.435 1.328 0 40 EDAB O=C(NCC[S@](=O)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 69893697 GIJZPPQEBMNYKM-XMMPIXPASA-N 341.392 1.461 0 40 EDAB Cc1nccn1[C@H]1CCCN(C(=O)c2sccc2-n2cnnn2)C1 69951081 FNBCGODOFWDNJZ-LBPRGKRZSA-N 343.416 1.706 0 40 EDAB Cc1nc(C)c([C@@H](C)N(C)C(=O)NCCN2CCOCC2)s1 69900670 IZCMHXYGSXUYBM-GFCCVEGCSA-N 326.466 1.795 0 40 EDAB Cn1ccc2c(C(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)cccc21 72269081 CCLCGBROZUVJMS-ROUUACIJSA-N 327.428 1.850 0 40 EDAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cccnc2-n2cncn2)c1 72233948 DDEVVHGIFFICNQ-CQSZACIVSA-N 337.387 1.472 0 40 EDAB C[C@@H](C(=O)N1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 8918777 DETNBDAAMJKPIT-AWEZNQCLSA-N 342.443 1.977 0 40 EDAB Cc1ccc(CNC(=O)CN2CCO[C@H](Cn3cccn3)C2)s1 71185607 SBRQAUIPNPXCEU-AWEZNQCLSA-N 334.445 1.270 0 40 EDAB Cc1noc(Cl)c1CCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 72300455 NBXQWYBQVRDMGN-SMDDNHRTSA-N 341.839 1.748 0 40 EDAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3cc(C)nn32)c1 72333035 MJQSJMSDVKLLLR-GFCCVEGCSA-N 330.344 1.731 0 40 EDAB Cc1n[nH]c2c1[C@@H](c1cccc(O)c1)c1c(n(C)c(=O)n(C)c1=O)N2 72405407 HLXIQYZKOAGGPV-GFCCVEGCSA-N 339.355 1.058 0 40 EDAB C[C@H](c1ccsc1)N1CCN(C(=O)Nc2nccn(C)c2=O)CC1 97378761 YBBHSSYTHOOEMA-GFCCVEGCSA-N 347.444 1.753 0 40 EDAB COC(=O)Cn1ncc2c(N3CCC[C@H]4COCC[C@@H]43)ncnc21 95411586 XANWLFCVLXDOFB-AAEUAGOBSA-N 331.376 1.005 0 40 EDAB Cc1cccc(N2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)[C@H](C)C2)n1 95449696 VAOFJZOATSSETH-GFCCVEGCSA-N 341.415 1.441 0 40 EDAB C[C@H](N[C@H](C)Cn1cncn1)c1cccc(N2CCCS2(=O)=O)c1 95421166 ZSHVNOLDTFUIOX-KGLIPLIRSA-N 349.460 1.557 0 40 EDAB CS(=O)(=O)NCCN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 95432366 XBOBPLOWVFSHJN-CABCVRRESA-N 330.425 1.263 0 40 EDAB Cn1c(N2CCC[C@@H]2c2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C 95407735 ZKDVEOMJQJVYQN-GFCCVEGCSA-N 343.362 1.441 0 40 EDAB COc1cc(F)c(S(=O)(=O)N2C[C@@H](CO)CC[C@@H]2C)cc1OC 95454454 JWSQRHTUWKVNON-QWRGUYRKSA-N 347.408 1.624 0 40 EDAB C[C@H](NC(=O)[C@H]1CN(C)CCO1)c1cnn(Cc2ccccc2)c1 95440202 VHBYHFCTWPBPKV-WMLDXEAASA-N 328.416 1.439 0 40 EDAB Cc1cc(C)n(C[C@H](C)CNC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 75111280 YGXJJMIJUKLNLF-LLVKDONJSA-N 345.447 1.941 0 40 EDAB CCCS(=O)(=O)NC(=O)C1CCN(c2ccc(Cl)cn2)CC1 89493485 BPPYXSZVNIMMOP-UHFFFAOYSA-N 345.852 1.807 0 40 EDAB O=C(c1ccno1)N1C[C@@H]2OCC(=O)N(CC3CCCCC3)[C@@H]2C1 67897452 HIRDWFHSBYXMSV-HIFRSBDPSA-N 333.388 1.307 0 40 EDAB biogenic,in-vitro CNC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)cc2)ccc1C 408608578 RLUOZBWYISZNTJ-UHFFFAOYSA-N 348.424 1.842 0 40 EDAB C[C@@H](C(=O)Nc1nnc(C2CC2)s1)n1nnc2ccccc2c1=O 61718125 ANBATPRVCWCCSW-QMMMGPOBSA-N 342.384 1.720 0 40 EDAB O=C(N[C@H]1CCc2nc(N3CCOCC3)ncc2C1)C1CCCC1 306123072 ADYFLZLWBIZQCA-HNNXBMFYSA-N 330.432 1.477 0 40 EDAB COc1ccc2cc(NC(=O)NCCN3CCOCC3)ccc2n1 171279015 CDDXRDRZUZBNFX-UHFFFAOYSA-N 330.388 1.697 0 40 EDAB CC(C)S(=O)(=O)N1CC2(C1)OCC[C@H]2COc1cccnc1 306137284 QRSQWGALUILAHA-ZDUSSCGKSA-N 326.418 1.290 0 40 EDAB Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnc2ccnn12 38829564 UXRWTTREHSNRGU-UHFFFAOYSA-N 335.411 1.996 0 40 EDAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(O)cc1)N1CCN(C)CC1 35311516 VJEQYUXRZLMNHK-MRXNPFEDSA-N 344.463 1.861 0 40 EDAB COCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 38772438 FLMDRGOASYZSAL-UHFFFAOYSA-N 340.445 1.379 0 40 EDAB CS(=O)(=O)N1CCC[C@H](C(=O)OCc2ccnc(Cl)c2)C1 78445848 DNHIVXMMONGSAB-NSHDSACASA-N 332.809 1.450 0 40 EDAB Cn1cc([C@@H]2CN(C(=O)c3ccc(C(N)=O)cc3)CC2(C)C)cn1 566062725 JXGGMTSFCRLVBW-HNNXBMFYSA-N 326.400 1.785 0 40 EDAB COC(=O)c1ccc(N(C)CCO)c(I)c1 39951808 LFBCUJQEGUTUHS-UHFFFAOYSA-N 335.141 1.506 0 40 EDAB CC[C@H](C)Nc1ccc(S(=O)(=O)NCCCOC)cc1C(=O)O 217600082 NGYCORXZFKSVNH-NSHDSACASA-N 344.433 1.910 0 40 EDAB Cc1cnc(C(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)cn1 72324233 DUYZSEYZASLUDE-ZDUSSCGKSA-N 328.372 1.660 0 40 EDAB CN1C(=O)CO[C@H](C(=O)Nc2cnn(C)c2)[C@H]1c1ccccc1F 72241547 POHNYQJAVNJGKH-CABCVRRESA-N 332.335 1.096 0 40 EDAB CC(C)Cc1nnc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)s1 75995609 FEMDJOLADCJTNI-SECBINFHSA-N 332.451 1.293 0 40 EDAB O=S(=O)(NC[C@H](O)c1ccncc1)c1c(F)cccc1Cl 133140729 ZUKHHADYJKLKAV-LBPRGKRZSA-N 330.768 1.886 0 40 EDAB CCOC(=O)CC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 85396748 IZHRAAGKEMPZMQ-UHFFFAOYSA-N 339.413 1.997 0 40 EDAB COCC(=O)N1CCN(C(=O)NC[C@H]2CCCc3ccccc32)CC1 46938000 JKSQPTZVMWXVNV-MRXNPFEDSA-N 345.443 1.607 0 40 EDAB Cc1nnsc1C(=O)NCc1nnc2c(C(F)(F)F)cccn12 225808868 NTBNSHFUMLFJPA-UHFFFAOYSA-N 342.306 1.838 0 40 EDAB CNS(=O)(=O)[C@H]1CCCN(C(=O)c2c[nH]c(C(F)(F)F)c2)C1 571825446 OWPGLARRRLAYQS-VIFPVBQESA-N 339.339 1.187 0 40 EDAB CNC(=O)NC1CN(C(=O)NCc2c(OC)ccc3ccccc23)C1 225787815 QSAPUXZVNJFEEB-UHFFFAOYSA-N 342.399 1.671 0 40 EDAB C[C@](O)(CCc1ccccc1)C(=O)N1CCN(Cc2ccon2)CC1 225767012 NPHBFSBMNCXLEQ-IBGZPJMESA-N 343.427 1.703 0 40 EDAB O=C([C@H]1CCc2[nH]cnc2C1)N1CCC(Oc2ncccn2)CC1 225514606 OHWNJSCHXZZTPF-LBPRGKRZSA-N 327.388 1.375 0 40 EDAB CO[C@@H](C)c1nc(CNC(=O)N[C@H]2CCc3c[nH]nc3C2)cs1 332910995 JRQQYRDDYQTFGP-ONGXEEELSA-N 335.433 1.930 0 40 EDAB COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1ccc2ncccc2c1 96245785 LIZKSOFHJUVRBB-IAGOWNOFSA-N 339.395 1.697 0 40 EDAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCC(C)(C)N1CCOCC1 91592165 FPQIWRXFPBBWSK-OAHLLOKOSA-N 349.479 1.984 0 40 EDAB Cn1nncc1S(=O)(=O)N1CCC(=Cc2cccc(F)c2)CC1 330048705 KFRCHLWSGUSEAP-UHFFFAOYSA-N 336.392 1.822 0 40 EDAB CN(C)C(=O)c1n[nH]c2c1CN(Cc1ccc3c(c1)OCO3)CC2 96187383 UPZFNWOTVYJWBL-UHFFFAOYSA-N 328.372 1.399 0 40 EDAB COc1c(NS(=O)(=O)c2cc(F)c(F)c(F)c2)c(C)nn1C 96433487 ZMAXVBKOESHFCW-UHFFFAOYSA-N 335.307 1.955 0 40 EDAB c1ccc(CN2CCOC3(CCN(c4ncccn4)CC3)C2)nc1 96048964 RFQMGGGIQPOZQT-UHFFFAOYSA-N 325.416 1.743 0 40 EDAB Cc1cnccc1CCNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 97229716 APDRIKHSUHYRHG-MRXNPFEDSA-N 342.447 1.634 0 40 EDAB CN1C(=O)C[C@@H](C(=O)Nc2ccccn2)[C@H]1c1ccc2c(c1)OCO2 95472962 IJNZFWHLMKNDSQ-SJKOYZFVSA-N 339.351 1.968 0 40 EDAB CCOC[C@H]1C[C@@]2(COCCN2C(=O)c2ccc3c(c2)OCO3)CO1 96078581 ZHFVRNHRQIUGQS-RDTXWAMCSA-N 349.383 1.452 0 40 EDAB O=C1[C@@H]2CN(CCn3ccnc3)CCN2C(=O)N1c1ccccc1 97370613 VJOXIIDXABCSDS-HNNXBMFYSA-N 325.372 1.036 0 40 EDAB Cn1cnc(CCNC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)n1 584288087 OJYNPSSRMHKMDY-HNNXBMFYSA-N 333.436 1.348 0 40 EDAB O=C(c1ccc(F)c(F)c1)N1C[C@H]2OCC(=O)N(CC3CC3)[C@@H]2C1 96246351 XKEJIRAMHSQZJE-HUUCEWRRSA-N 336.338 1.427 0 40 EDAB CS(=O)(=O)NCCCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 96404799 BKYHFNFPBOJALP-IRXDYDNUSA-N 346.452 1.999 0 40 EDAB COc1ncnc2c1CN([C@H](C)C(=O)NCc1cccs1)CC2 97202338 XIXNRYODCOVVIS-LLVKDONJSA-N 332.429 1.610 0 40 EDAB CN(C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 97096632 BGEIZCRAYBUZFH-SJLPKXTDSA-N 345.491 1.782 0 40 EDAB Cn1cc(CN2C[C@H]3[C@H](CC(=O)NCC4CC4)COC[C@H]3C2)cn1 96040818 YOOQTCJBIVLJHF-ZACQAIPSSA-N 332.448 1.031 0 40 EDAB Cn1cc(CCCNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cn1 96420517 DIHIJAPACMHNPR-SFHVURJKSA-N 342.443 1.370 0 40 EDAB CC(=O)N1CCC2(CC1)CCN(S(=O)(=O)c1ccccc1F)C2 96268710 KRYICWTXUNIYGX-UHFFFAOYSA-N 340.420 1.849 0 40 EDAB COCCn1cc(CN2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)cn1 583617457 SUMSTHGXSBRSQS-KRWDZBQOSA-N 348.451 1.186 0 40 EDAB CS(=O)(=O)N1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96209564 KTKYOKWLIOIUAS-GJZGRUSLSA-N 326.418 1.181 0 40 EDAB Cc1ccc(NCc2cncc3c2CCN([C@H]2CCOC2)C3)nn1 96067457 QUQAZDFBLHZLPO-INIZCTEOSA-N 325.416 1.939 0 40 EDAB CN(C)c1cnc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cn1 331863547 GARZXJIBTWQORC-ABAIWWIYSA-N 348.353 1.769 0 40 EDAB C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@H]1CC(=O)N(C)C1 96426365 UXIXFXRNCCYISM-KOLCDFICSA-N 341.205 1.563 0 40 EDAB Cc1cc(C)n(-c2nc(CCNC(=O)c3ccc(=O)[nH]c3)cs2)n1 85473483 MSAFQIQSAQGNCY-UHFFFAOYSA-N 343.412 1.606 0 40 EDAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@H]1C[C@H]2CC[C@H]1C2 241213355 KOGYPBQMFDMZGA-LCTGZXLESA-N 333.432 1.648 0 40 EDAB NC[C@]1(N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242620141 PUTKWDGOBAMMIB-XHSDSOJGSA-N 336.844 1.936 0 40 EDAB Cc1ccc(CN2Cc3ccnn3[C@@H](CNS(C)(=O)=O)C2)s1 248087794 KPNRCGNLCKWZTN-ZDUSSCGKSA-N 340.474 1.359 0 40 EDAB CC(=O)Nc1cc(C(=O)N2CCO[C@@H](c3nc(C)c[nH]3)C2)ccn1 257311570 UKBXABWOLFSWNU-CYBMUJFWSA-N 329.360 1.285 0 40 EDAB Cc1ncc(-c2cncc(C[C@H]3CCN(S(C)(=O)=O)C3)n2)n1C 257323939 WMNDSFMWGXPERX-GFCCVEGCSA-N 335.433 1.010 0 40 EDAB COC(=O)[C@H](C)[C@H](C)S(=O)(=O)NC(=O)[C@H](C)c1cccs1 252492716 MTQRVONNUQEGSV-BBBLOLIVSA-N 333.431 1.495 0 40 EDAB CC(C)(C)CN1CCC[C@@H](N2CC[C@H](c3cc(O)nc(N)n3)C2)C1=O 585116083 GYZOPTURWMSEQA-GXTWGEPZSA-N 347.463 1.591 0 40 EDAB O=C(CCc1nc(-c2ccco2)no1)NC1(C(F)(F)F)OCCO1 585125055 FKFRXWKTLINDGC-UHFFFAOYSA-N 347.249 1.641 0 40 EDAB CNC(=O)Cn1cc(NCC2(C)CN(C(=O)OC(C)(C)C)C2)cn1 585117079 QKSCUMAWILDENH-UHFFFAOYSA-N 337.424 1.298 0 40 EDAB Cc1cc(O)nc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 257310458 UFDHPRIOXWJERE-INIZCTEOSA-N 343.383 1.835 0 40 EDAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1ncnn1C(C)(C)C 252487084 HSFALXQJBICOOE-LLVKDONJSA-N 347.467 1.814 0 40 EDAB CN(C)c1cc(CC[C@H]2CN(C(=O)c3cnccn3)CCO2)ccn1 257329800 XLOYUYRPSKOHMF-HNNXBMFYSA-N 341.415 1.411 0 40 EDAB Cc1ncc(CN(C)C)c([C@H]2CCCN2C(=O)Cc2nonc2C)n1 257239536 HPTRBOAZVHKPGV-OAHLLOKOSA-N 344.419 1.444 0 40 EDAB C[C@]1(C(=O)Nc2cnc3ccccc3c2)CN(S(C)(=O)=O)CCO1 257259099 KWVGEBONRLKKIZ-MRXNPFEDSA-N 349.412 1.224 0 40 EDAB CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1cccc(C)n1 257231836 GIIUTSRBXDBMSQ-QGZVFWFLSA-N 325.372 1.058 0 40 EDAB C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NC[C@H]1CCc2ccccc21 253370196 NPULDOLSYPFGTL-XCRHUMRWSA-N 344.455 1.888 0 40 EDAB COc1ccnc(C[S@@](=O)c2nc3ccc(O)cc3[nH]2)c1OC 605692791 JDTUAEPGGXGQMA-HSZRJFAPSA-N 333.369 1.989 0 40 EDAB COCCn1nc(C)c(Nc2ncnc3c2nnn3C2CC2)c1C 1614692408 YQUFLEHPYLRINP-UHFFFAOYSA-N 328.380 1.760 0 40 EDAB CO[C@@H]1COC[C@H]1S(=O)(=O)N1CCC[C@@H](c2ccncc2)CC1 1616001666 YZASAACZWSZDGN-FVQBIDKESA-N 340.445 1.395 0 40 EDAB Cc1nc(C[C@@H]2CCCN(C(=O)[C@]34CNC[C@@H]3COC4(C)C)C2)no1 1616038360 GPABCXJGMPDALI-IYOUNJFTSA-N 348.447 1.174 0 40 EDAB O=C(NC[C@H]1CCC2(CN(C(=O)C3CCC3)C2)OC1)c1cnccn1 575403392 JUNBNSIIKPWFJG-CYBMUJFWSA-N 344.415 1.014 0 40 EDAB Cc1nn(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(=O)n1C 585090234 AVZLTNYGFIZVHQ-LBPRGKRZSA-N 328.416 1.646 0 40 EDAB Cc1ccccc1O[C@@H]1CCC[C@H](NCC2(O)CCN(C)CC2)[C@H]1O 585289651 UCKZWIWFVRQVOU-QXAKKESOSA-N 348.487 1.702 0 40 EDAB C[C@H]1C(=O)Nc2ccccc2N1C(=O)Cc1nc(C2CC2)nn1C 585141396 VJIKJSNDFVRILO-JTQLQIEISA-N 325.372 1.609 0 40 EDAB FC1(F)CCN(C[C@@H]2CCn3nccc3CN2Cc2cn[nH]c2)C1 585096702 ASMQPZYGJFHRMP-AWEZNQCLSA-N 336.390 1.722 0 40 EDAB C[C@H]1c2nc(CC(=O)N3CCCC3)cn2CCN1C(=O)C1CCC1 585097050 FDNIIUVHEMLXMX-ZDUSSCGKSA-N 330.432 1.751 0 40 EDAB CC(C)[C@H](NC(=O)CNC[C@H]1CN(C)CCO1)c1cccs1 69652997 JPKJJOHCSHULDR-BBRMVZONSA-N 325.478 1.482 0 40 EDAB O=C1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CN1 71909469 NXTNXZRAMGBZMM-MRVPVSSYSA-N 340.298 1.401 0 40 EDAB Cn1nc(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)ccc1=O 55943505 YGOWOMHQUSMGFG-GOEBONIOSA-N 331.347 1.570 0 40 EDAB COC(=O)CNC(=O)c1cccc(NC(=O)CC[C@@H]2CCCO2)c1 53354874 BPFYYTBOYQGFJN-AWEZNQCLSA-N 334.372 1.487 0 40 EDAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)o1 40475417 YFYOIIGZHMQHRI-YRGRVCCFSA-N 325.430 1.981 0 40 EDAB CCCCNC(=O)COC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 40456933 OCGDCAPMIQPPOO-UHFFFAOYSA-N 349.387 1.677 0 40 EDAB O=C(NCC1CCC(CNC(=O)c2ccon2)CC1)c1ccon1 78935145 BZFHIEXSVVQGEH-UHFFFAOYSA-N 332.360 1.629 0 40 EDAB COCc1nc(CN2CCO[C@@H](CN(C)c3cccnn3)C2)cs1 83859333 CNFZKUZDUKRROZ-AWEZNQCLSA-N 349.460 1.417 0 40 EDAB O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4c(F)cccc4Cl)C(=O)[C@@H]13)O2 100018732 SOIQCTCZLBBALQ-BCUIYNNISA-N 337.734 1.846 0 40 EDAB CCc1c(C)sc2ncn(C3CCN(CCC(N)=O)CC3)c(=O)c12 12145460 YFJSEIBMPUDVBE-UHFFFAOYSA-N 348.472 1.841 0 40 EDAB CC1CCN(S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)CC1 15674507 OHRNHRLIOSUIFD-UHFFFAOYSA-N 332.451 1.553 0 40 EDAB Cc1cccc(NC(=O)CSc2nnc(CCC(=O)O)c(O)n2)c1 16777377 CDVJWIIDSCOLMJ-UHFFFAOYSA-N 348.384 1.634 0 40 EDAB COc1ccc([C@H]2CC(=O)C[C@H](Nc3nonc3N)C2)cc1OC 19974033 AAGANYJCNZQGJR-GHMZBOCLSA-N 332.360 1.986 0 40 EDAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@H]2CC(S(C)(=O)=O)C3)s1 101117109 XOLVAQAYOKRTLL-QWRGUYRKSA-N 328.459 1.940 0 40 EDAB COc1cccc(NC(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1 575608306 NBUSZVNCRGPYBM-UHFFFAOYSA-N 347.371 1.077 0 40 EDAB COc1cc(NC2CCN(CC(=O)N3CCCCCC3)CC2)ncn1 1888843427 MRQJTXIEJWGKLB-UHFFFAOYSA-N 347.463 1.764 0 40 EDAB O=C([C@H]1CCCN(c2nccn(C3CC3)c2=O)C1)N1CCSCC1 1889099065 HTWPRCYHIDSVPB-ZDUSSCGKSA-N 348.472 1.370 0 40 EDAB O=C([C@H]1CN(c2ccnc3ccccc23)CCO1)N1CCOCC1 1889131830 ZOVVVVFIMANHLS-QGZVFWFLSA-N 327.384 1.299 0 40 EDAB CCOc1nccn2c(CNC(=O)NCc3cccc(F)c3)nnc12 238814171 BAVLZYKJEKPNSC-UHFFFAOYSA-N 344.350 1.662 0 40 EDAB COc1cc(CNC(=O)c2ccc(OC[C@@H]3CCCO3)nc2)ccn1 245187633 ZRNDSDJBMRLQHR-HNNXBMFYSA-N 343.383 1.973 0 40 EDAB COCCOc1ccc(CN2CC[C@@H]3OCC(=O)N(C)C[C@H]3C2)cc1 2037984025 NSMKKJXOQQKDDD-WMZOPIPTSA-N 348.443 1.391 0 40 EDAB O=C(c1cc[nH]c1)N1CCOC[C@]2(C[C@H](Cn3ccnc3)CO2)C1 1565546611 AXFLDZWZRRBULO-PBHICJAKSA-N 330.388 1.159 0 40 EDAB COc1cnccc1C(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)NCC(C)C)C1 1565546303 YECCSBJUZSEVIK-IVMMDQJWSA-N 347.415 1.092 0 40 EDAB Cc1cccc(Cn2c(=O)c3c(nc4n(C)c(C)cn34)n(C)c2=O)c1 4250901 DYKSOUVRENLTFA-UHFFFAOYSA-N 337.383 1.352 0 40 EDAB O=C1C[C@@H](NS(=O)(=O)c2cccnc2)CN1c1ccc(F)cc1 4303440 PMHCAHGNVZJJHQ-GFCCVEGCSA-N 335.360 1.305 0 40 EDAB NC(=O)CSc1nnc2ccc(-c3ccc4c(c3)OCO4)nn12 4376698 CMRADKJFIBIPCX-UHFFFAOYSA-N 329.341 1.097 0 40 EDAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(C)c(O)n2)cc1 5881768 XMVGPWQYHZGGPH-UHFFFAOYSA-N 333.373 1.575 0 40 EDAB CCn1cc(C(=O)NCCc2ccccc2OC)c2n[nH]c(=O)c-2c1 44213507 LYGWAKAZHGZGSH-UHFFFAOYSA-N 340.383 1.677 0 40 EDAB O=C(Cn1cnc2ccccc21)N1CCN(c2cnsn2)CC1 585148974 SZZDVYUYQJXBHP-UHFFFAOYSA-N 328.401 1.237 0 40 EDAB O=c1cc2c(nn1CC1CCN(CC3(O)CCCC3)CC1)CCC2 585503225 XMSIUKNKGGYFMO-UHFFFAOYSA-N 331.460 1.749 0 40 EDAB CC[C@@H]1CN(C(=O)c2cc(C)c(C)c(S(=O)(=O)NC)c2)CCO1 30855534 UQDCJNOFLOJFTF-CQSZACIVSA-N 340.445 1.463 0 40 EDAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cccnc1 30941548 FPRLWSKMQALNQW-KADSFNECSA-N 345.424 1.962 0 40 EDAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3C[C@H](C)O[C@H](C)C3)c(C)c12 40511997 ARKDQJYTYFLOOG-PHIMTYICSA-N 346.431 1.447 0 40 EDAB C[C@H](OCC(F)(F)F)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 40553783 WPHDBKCARCVNFB-WDEREUQCSA-N 332.326 1.529 0 40 EDAB CNC(=O)[C@H]1CCCCN1C(=O)c1cn(-c2ccc(C)cc2)nn1 32178247 RHITVTGKTPBUCN-OAHLLOKOSA-N 327.388 1.316 0 40 EDAB CCOCCCNC(=O)c1nn(-c2ccc(CC)cc2)nc1CO 21173184 DZJRYWXAPZJWBM-UHFFFAOYSA-N 332.404 1.478 0 40 EDAB Cc1cccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 32914958 LREVTGQJEPQKRN-ZIAGYGMSSA-N 340.445 1.164 0 40 EDAB Cc1ccc2c(c1)[C@@H]1c3sc(=O)[nH]c3S[C@@H](C(=O)O)[C@H]1C(=O)O2 102825131 UYRFTBAPGVYECQ-ATZCPNFKSA-N 349.389 1.971 0 40 EDAB CC[C@H](C)[C@@H](C(=O)N[C@H](C)C(=O)OC)N1C(=O)c2ccccc2C1=O 103986108 VKNPVPBGTHEUGZ-WDMOLILDSA-N 346.383 1.375 0 40 EDAB COc1cccc(N2C[C@H](C(=O)N[C@@H](C)Cn3ccnc3)CC2=O)c1 42535044 UGGWHZCJMQUADG-UONOGXRCSA-N 342.399 1.450 0 40 EDAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)NCCCC(N)=O 42925846 KSNKFDCSQUTEDK-UHFFFAOYSA-N 342.399 1.060 0 40 EDAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 24766416 TVMPWQXAUZGHIJ-LBPRGKRZSA-N 336.335 1.716 0 40 EDAB CCCNC(=O)[C@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 24858781 HDEYHIHLHIMVGK-HNNXBMFYSA-N 331.460 1.930 0 40 EDAB Cc1ccc(NC(=O)CCNC(=O)c2ccc(N(C)C)nc2)nc1 78720323 IXJJFWZBAFRCSC-UHFFFAOYSA-N 327.388 1.610 0 40 EDAB CN(C)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)C1 78880855 KESSETDEMGANFR-UONOGXRCSA-N 327.450 1.687 0 40 EDAB CN(Cc1cnn(C)c1)C(=O)CN1C(=O)CSc2ccccc21 25047300 WSKQAEKYKHJEEK-UHFFFAOYSA-N 330.413 1.517 0 40 EDAB COc1ccc([C@H](C(=O)Cc2ccccc2)N(CCO)CCO)cc1 1668863 MHYFVTITLGLIPK-HXUWFJFHSA-N 343.423 1.835 0 40 EDAB O=C(Nc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 79909458 JKZCHIBWJBAWTC-ZDUSSCGKSA-N 346.412 1.516 0 40 EDAB O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1[nH]nc2c1CCCC2 96010889 QCQPAARWNPIWFR-HNNXBMFYSA-N 339.399 1.609 0 40 EDAB CCOc1ccc(Cl)c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)n1 55982183 VFSWIFITAHBEAT-CYBMUJFWSA-N 332.809 1.441 0 40 EDAB CCOC(=O)[C@H]1[C@H](c2cccnc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4140086 YTSGNODLZUAUKG-GBIKHYSHSA-N 347.293 1.208 0 40 EDAB CC[C@@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCN1C[C@H](C)O 107351133 JWQWGRITJBDXMF-GXTWGEPZSA-N 340.855 1.451 0 40 EDAB Cn1nc(C(=O)NCCc2ccc(Br)s2)ccc1=O 25877312 VISRTLVQWFRDJD-UHFFFAOYSA-N 342.218 1.577 0 40 EDAB COCCN(CC(=O)NC1CCCCC1)C(=O)c1csnn1 4890314 NRJZLSOQSDBOAF-UHFFFAOYSA-N 326.422 1.076 0 40 EDAB NC(=O)NCc1ccc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 56951722 CZJGWWKHECEMNE-HNNXBMFYSA-N 343.387 1.483 0 40 EDAB Cn1nnnc1SCC(=O)NCCSc1ccc(Cl)cc1 7757663 TYIVWHRGFVOANQ-UHFFFAOYSA-N 343.865 1.864 0 40 EDAB CCc1cc(CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)on1 96000234 WVQHEYHHDMZLAX-UHFFFAOYSA-N 349.412 1.181 0 40 EDAB CC[C@@H](C)NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 1784844 OYXNCXGZHLFDIP-NXEZZACHSA-N 334.445 1.893 0 40 EDAB CC[C@@]1(C)NC(=O)N(NC(=O)CN[C@@H](C)c2ccccc2F)C1=O 26872794 TXSSMCSDOUTYPM-MGPLVRAMSA-N 336.367 1.228 0 40 EDAB COc1cccc(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 58150594 SJPTUXJEGZVKQI-UHFFFAOYSA-N 329.360 1.814 0 40 EDAB CC(=O)NCC1CCN(C(=O)c2cccnc2N2CCCC2)CC1 44953059 ZOCVPSSIIONDDT-UHFFFAOYSA-N 330.432 1.670 0 40 EDAB Cc1cc(=O)n2nc(NCCCN3CCCCCC3=O)sc2n1 44907037 GVIGSTPOMHQSCI-UHFFFAOYSA-N 335.433 1.664 0 40 EDAB COc1cc2oc(=O)c(CC(=O)N[C@@H](C)C(=O)O)c(C)c2cc1OC 2119488 PJCQMAJUKNTVDT-VIFPVBQESA-N 349.339 1.250 0 40 EDAB biogenic Cc1noc(C)c1C(=O)N1CCC2(CC1)CC(NS(C)(=O)=O)C2 108526755 YJEVXGNLYSAKKG-UHFFFAOYSA-N 341.433 1.225 0 40 EDAB CN1CCC(CNC(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 58344120 GLEZRUIIGOJXCL-UHFFFAOYSA-N 337.851 1.918 0 40 EDAB CC(C)(C)CC(=O)NCC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 58392470 GWRSPALIRSXHOL-LLVKDONJSA-N 337.386 1.539 0 40 EDAB CCOC(=O)N1CCC(NC(=O)c2ccc(C(=O)OC)cc2)CC1 24064477 GGCKTAABSAFFMU-UHFFFAOYSA-N 334.372 1.824 0 40 EDAB CCc1ccccc1N1C(=O)C[C@@H](N2CCC3(CC2)OCCO3)C1=O 9288847 FPBNCQVABZGCKD-MRXNPFEDSA-N 344.411 1.720 0 40 EDAB CCc1noc(C)c1C(=O)NCc1cccc(NS(C)(=O)=O)c1 10548676 UHJHXQNNROOLGZ-UHFFFAOYSA-N 337.401 1.847 0 40 EDAB CS(=O)(=O)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)CC1 108529180 XUASOYCXUPUYTE-MRXNPFEDSA-N 337.445 1.246 0 40 EDAB O=C1CCC(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1 72306907 FCWZDAQHDUIADJ-GOSISDBHSA-N 330.428 1.935 0 40 EDAB CCN(C[C@H]1CCOC1)C(=O)NCc1ccccc1Cn1cncn1 45895450 RMHAKLJSSGTWIK-OAHLLOKOSA-N 343.431 1.894 0 40 EDAB C[C@@H](CCc1ccco1)NC(=O)CN(C)c1ncnc2[nH]cnc12 45978659 OOIGYWVRSRUAEI-NSHDSACASA-N 328.376 1.520 0 40 EDAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)N(C2CC2)C1 29516400 MGOXDGCBXJRPTF-CYBMUJFWSA-N 329.400 1.473 0 40 EDAB O=C(CNS(=O)(=O)c1cccs1)N[C@H]1CCc2ccccc21 46406739 RYYKFWVSHONCNG-ZDUSSCGKSA-N 336.438 1.830 0 40 EDAB O=C1NC2=C(C(=O)N(C[C@@H]3CCCO3)C2)[C@H](c2cccc(F)c2)N1 12113417 KZLQTEGPKPTQSG-WFASDCNBSA-N 331.347 1.455 0 40 EDAB CS(=O)(=O)N1CCC[C@@H](NC(=O)NCc2ccccc2F)C1 58014513 OHIKIRFLSSRDNT-GFCCVEGCSA-N 329.397 1.049 0 40 EDAB CN(C)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cn1)c1cccnc1 72310054 WXGXEEITDOYXCR-QGZVFWFLSA-N 341.415 1.555 0 40 EDAB Cc1noc(C)c1CN(C)CC(=O)/N=c1\cc[nH]n1[C@H](C)C1CC1 104148205 CZFCQDCYTGFXDE-OHEASWGXSA-N 331.420 1.951 0 40 EDAB CS(=O)(=O)c1ccc(CNC(=O)N2CCC(CO)CC2)cc1 46922042 VNHSMSAQUGNISA-UHFFFAOYSA-N 326.418 1.004 0 40 EDAB CC(=O)Nc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 3882485 VWVXWMBAXJBMSV-ZJOBFFGXSA-N 328.324 1.016 0 40 EDAB COc1cccc(NC(=O)NCc2cccc(S(N)(=O)=O)c2)c1 47034061 IUXCSXGEEMXYHM-UHFFFAOYSA-N 335.385 1.664 0 40 EDAB CC(C)N(CCc1nccs1)C(=O)c1c[nH]c2c(cnn2C)c1=O 97237569 LIIRRVPQXDPSIZ-UHFFFAOYSA-N 345.428 1.811 0 40 EDAB CN(CCCOc1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 48291118 HTRXAIJROHWFRA-ZDUSSCGKSA-N 344.408 1.423 0 40 EDAB CCCNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O 113961950 FKUSEUZAXXPBKJ-UHFFFAOYSA-N 328.434 1.768 0 40 EDAB Cn1c(C2CC2)nc2c1CCN(Cc1cccc(OCC(N)=O)c1)C2 84310900 CBVQXMDYRKJFHB-UHFFFAOYSA-N 340.427 1.720 0 40 EDAB C[C@H]1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 3365275 AOVNQYZISZFLSF-ZDUSSCGKSA-N 339.461 1.750 0 40 EDAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NC[C@@H]1CCCO1 3446945 AWGBEKKNDDIIDG-ZDUSSCGKSA-N 346.408 1.644 0 40 EDAB CN(C)C1(CNC(=O)Cn2cnc3ccccc3c2=O)CCCCC1 3490922 OTJXPDODUDIYJV-UHFFFAOYSA-N 342.443 1.777 0 40 EDAB CN1CCCN(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)CC1 65439499 UPFRPLNJQGUNGO-MRXNPFEDSA-N 345.422 1.996 0 40 EDAB C[C@H]1Oc2ccccc2N(CCC(=O)N(C)C[C@@H]2CCCO2)C1=O 84678088 XVZMTBQLVLBLFE-KGLIPLIRSA-N 332.400 1.828 0 40 EDAB O=C(NO[C@H]1CCCCO1)c1cccc(N2CCCS2(=O)=O)c1 65566753 MGKVZFWKHJBWKC-AWEZNQCLSA-N 340.401 1.415 0 40 EDAB CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(C)CC1 65541046 KKIPWFNRNUAUIQ-YJBOKZPZSA-N 343.471 1.760 0 40 EDAB C[C@H]1CN(C(=O)CSCc2nnnn2-c2ccccc2)CCO1 65553676 WHFIDJVVLUOSMI-LBPRGKRZSA-N 333.417 1.143 0 40 EDAB COc1ccc(Cl)cc1NCC(=O)N(C)Cc1nnc2n1CCC2 65615174 AXZQNOPGKJPAAF-UHFFFAOYSA-N 349.822 1.957 0 40 EDAB CN(C(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 14181458 XMOJNJGQTRHURV-SNVBAGLBSA-N 337.319 1.844 0 40 EDAB O=C(O)[C@H]1CS[C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)N1 62712269 XXSLJOJLGNERDO-NXEZZACHSA-N 335.303 1.813 0 40 EDAB COc1ccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cn1 14372238 CCMFQYKWRYSXCU-UHFFFAOYSA-N 330.369 1.660 0 40 EDAB Cc1cccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)c1 6508817 BESMFLMPWVRVIS-UHFFFAOYSA-N 348.380 1.716 0 40 EDAB CN(CC(=O)NC(C)(C)C)C(=O)CCNC(=O)NCc1ccccc1 9478360 PNJRCAWYAOECRU-UHFFFAOYSA-N 348.447 1.249 0 40 EDAB O=C(CSc1ccc2ccccc2n1)N[C@@H]1CCS(=O)(=O)C1 5626942 FKFWIQLUKGXJGG-GFCCVEGCSA-N 336.438 1.630 0 40 EDAB Cc1ccc(C[C@@H](C)NC(=O)NCCCN2C(=O)CNC2=O)c(C)c1 66599394 INEWYIBWVVCFGO-CQSZACIVSA-N 346.431 1.476 0 40 EDAB CNc1cc(N2CCC[C@H]2CNC(=O)N2CCCO[C@@H](C)C2)ncn1 173416948 OYHZPHAMGYFJTN-KBPBESRZSA-N 348.451 1.308 0 40 EDAB CN(Cc1cccs1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 9544860 CCAXOILVCAHGAY-UHFFFAOYSA-N 335.429 1.961 0 40 EDAB O=C(CNC[C@@H]1CCCN1c1cccnn1)NCCc1ccccc1 71859848 RXEYGPYAKXWHIC-KRWDZBQOSA-N 339.443 1.394 0 40 EDAB O=C1CC[C@H](C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)N1 68210784 PTIVNOAOSNCTMD-CQSZACIVSA-N 336.819 1.783 0 40 EDAB O=C(O)C[C@H]1CN(S(=O)(=O)c2ccc(Cl)s2)CCO1 91293882 LTPOYFMVMYBUOX-ZETCQYMHSA-N 325.795 1.266 0 40 EDAB CCCCn1nc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)ccc1=O 70039477 TWFCZHXRAHVPBM-OAHLLOKOSA-N 343.431 1.853 0 40 EDAB CCCc1cc(N2CCO[C@H](Cn3cccn3)C2)n2ncnc2n1 69376044 NFWLGTBGPYOPCE-AWEZNQCLSA-N 327.392 1.179 0 40 EDAB O=C1C[C@@H](C(=O)Nc2nnc(C(F)(F)F)[nH]2)c2ccccc2N1 69453287 QNFCCTUBZHGQHF-SSDOTTSWSA-N 325.250 1.888 0 40 EDAB CCOc1ccc2cc(C(=O)N(C)CCN3CCOCC3)[nH]c2c1 69415504 PHNFDCFGHQNGCT-UHFFFAOYSA-N 331.416 1.971 0 40 EDAB CC(C)c1cccc(OCC(=O)NCCCN2CCC[C@H]2C(N)=O)c1 69581439 PSUOGMXBDVGUFQ-KRWDZBQOSA-N 347.459 1.645 0 40 EDAB CS(=O)(=O)NCCNC(=O)NC1(c2ccc(Cl)cc2)CCC1 69538279 LJCQVNHGQNWGDG-UHFFFAOYSA-N 345.852 1.568 0 40 EDAB COc1cccc(CN2C(=O)C(=O)N(CCOC(C)(C)C)C2=O)c1 69591115 RLOZPMMIJDOMTE-UHFFFAOYSA-N 334.372 1.801 0 40 EDAB C[C@]1(c2ccccn2)NC(=O)N(CC(=O)N2CCCCCCC2)C1=O 69669421 LCAVQUAWPSSITK-GOSISDBHSA-N 344.415 1.641 0 40 EDAB Cc1[nH]nc(C(N)=O)c1NS(=O)(=O)c1ccc(F)c(Cl)c1 69654860 VJAGIICXZORTPE-UHFFFAOYSA-N 332.744 1.410 0 40 EDAB Cn1ccnc1CN1CCN(C[C@H](O)COc2ccccc2F)CC1 69626588 CVSDCKKLVVHZLK-HNNXBMFYSA-N 348.422 1.117 0 40 EDAB Cc1[nH]ncc1C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 69620459 UKDQMHSKHHTOLK-UHFFFAOYSA-N 334.326 1.595 0 40 EDAB Cc1cc(NC(=O)[C@@H](C)N[C@H]2CCCN(Cc3noc(C)n3)C2)no1 69624569 PKFLTLIHIRFFEP-YPMHNXCESA-N 348.407 1.256 0 40 EDAB Cc1nc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cs1 69739112 WKHLXUBELIVJPX-MRXNPFEDSA-N 331.441 1.943 0 40 EDAB C[C@@H](CO)N1CCN(c2nc3ccccc3nc2N2CCCC2)CC1 95449373 KCHCWSWOJQVFEE-HNNXBMFYSA-N 341.459 1.733 0 40 EDAB O=C(Nc1cccnc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 9858708 PPVXJLMJFBEFJY-UHFFFAOYSA-N 328.347 1.508 0 40 EDAB Cc1nn(CCO)c(C)c1CNCCC(=O)NCc1ccccc1 69900885 PGBWEUGCDZUVDF-UHFFFAOYSA-N 330.432 1.288 0 40 EDAB Cc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH]cn3)ccc12 8791958 ZCRAEDBOWHDFGK-UHFFFAOYSA-N 327.340 1.562 0 40 EDAB biogenic C[C@H]1CCCN(C(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)C1 8709034 PDDPAHONWIKOMA-ZDUSSCGKSA-N 346.456 1.970 0 40 EDAB COc1cccc2c1OC[C@@H](C(=O)N[C@H]1CCc3nccn3C1)C2 72235893 ZCPUQLHTKDNLTJ-KBPBESRZSA-N 327.384 1.574 0 40 EDAB CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC(=O)N(C)C1 95956404 RLLNIAXWPDOOBP-CYBMUJFWSA-N 339.386 1.333 0 40 EDAB C[C@H](CNC(=O)NC[C@@](C)(O)c1ccccc1Cl)[S@](C)=O 95943349 AUORRTDVQGJBOS-GYPBFWFCSA-N 332.853 1.614 0 40 EDAB CS(=O)(=O)NC1CCC(NC(=O)c2cc(F)cc(F)c2)CC1 89486590 DKZCMUUSZBHZRQ-UHFFFAOYSA-N 332.372 1.555 0 40 EDAB COC[C@H](CCO)NS(=O)(=O)c1ccc(OC(C)C)c(C)c1 89591143 WCVHVFXXVIMREV-ZDUSSCGKSA-N 331.434 1.458 0 40 EDAB C[C@H]1CN(C)CCN1C(=O)c1cn(CCN(C)C)c2ccccc12 89938748 VWYVYUAIVIBZNU-HNNXBMFYSA-N 328.460 1.979 0 40 EDAB O=C(O)[C@H]1CCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 75572254 CWEHFKKOOMNKQM-SNVBAGLBSA-N 339.291 1.823 0 40 EDAB Cc1ccc2oc(C(=O)N3C[C@@H](C)[C@@H](N4CCOCC4)C3)cc2n1 76051967 QKGHFIKCDMTYEI-DOMZBBRYSA-N 329.400 1.929 0 40 EDAB CC(=O)N1CCN([C@@H]2CN(Cc3sc(C)nc3C)C[C@@H]2C)CC1 76055620 WRTKMOZBDHFZEN-BLLLJJGKSA-N 336.505 1.744 0 40 EDAB Cc1n[nH]c([C@H]2CN([C@@H](C)C(=O)NCCc3ccccc3)CCO2)n1 76042570 PPWXPYJYYJOPSV-XJKSGUPXSA-N 343.431 1.234 0 40 EDAB CCNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1C 408618174 DENWRJVXUJZWRG-GFCCVEGCSA-N 326.418 1.202 0 40 EDAB CN1C(=O)[C@@]2(c3ccccc31)N(c1ccccc1)C(=O)CS2(=O)=O 8597529 CTNDASMYFUFQMA-KRWDZBQOSA-N 342.376 1.277 0 40 EDAB aggregator COc1ccc(CN2CC[C@@H](CNC(=O)c3ccc[nH]3)C2)cc1O 67741169 SKDMZUDULLLTDD-AWEZNQCLSA-N 329.400 1.981 0 40 EDAB Cc1cc(=O)c(OCC(=O)Nc2c3c(nn2C)CSC3)cn1C 524735013 ZGXQTWISKFUNAH-UHFFFAOYSA-N 334.401 1.192 0 40 EDAB O=C(CNS(=O)(=O)c1ccc(C(=O)O)cc1)Nc1ccsc1 532258667 GVDDCRKJXMEESL-UHFFFAOYSA-N 340.382 1.363 0 40 EDAB CCc1nc2c(s1)[C@H](N(C)C(=O)C(=O)Nc1ccn(C)n1)CCC2 125106609 ALTQOTFKPWEPEU-LLVKDONJSA-N 347.444 1.914 0 40 EDAB CC[C@H](C)NC(=O)CCNC(=O)N(C)Cc1nccn1C(F)F 127049807 SBUKDASBIJQGCO-JTQLQIEISA-N 331.367 1.724 0 40 EDAB COc1ccc(OC)c(S(=O)(=O)N(C)CCc2ccccn2)c1 33048009 WAPFXLHDIJITDF-UHFFFAOYSA-N 336.413 1.962 0 40 EDAB O=S(=O)(c1ccccc1)N1CCCN(CCn2cccn2)CC1 64353600 VCOCXPOMVOXNRH-UHFFFAOYSA-N 334.445 1.280 0 40 EDAB CC1(C)CN(C(=O)c2ccc3nn[nH]c3n2)C[C@@](C)(C(F)(F)F)O1 565587737 PXVXDFAKADRCHP-ZDUSSCGKSA-N 343.309 1.925 0 40 EDAB Cc1nnsc1C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 35598260 MRUSUASPEZBXIW-UHFFFAOYSA-N 342.428 1.681 0 40 EDAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CN)C3)n2)n1 72382985 OZKYMRZHWPTNJX-CYBMUJFWSA-N 326.404 1.507 0 40 EDAB Nc1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)c2nc[nH]c2n1 31811405 XIYBQWNRCQOICP-UHFFFAOYSA-N 343.822 1.911 0 40 EDAB O=C(NCCc1ccco1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 32768533 FIMRBNLSASWHKI-UHFFFAOYSA-N 337.401 1.365 0 40 EDAB Cn1ccc(NC(=O)C(=O)N2CCC[C@@H](NCc3ccccc3)C2)n1 225496462 MHXVVGYGWHPXPY-OAHLLOKOSA-N 341.415 1.139 0 40 EDAB O=C(Cn1c(=O)oc2ccccc21)NC[C@]1(O)CCc2ccccc21 75155698 OCZGJIOKORNUEA-LJQANCHMSA-N 338.363 1.545 0 40 EDAB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2ncccn2)C1 225506717 YNVIAQGDTNZTDK-GFCCVEGCSA-N 328.376 1.016 0 40 EDAB CCc1sc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)cc1C 49726060 HKBHEKQJQVRIAV-CQSZACIVSA-N 349.500 1.998 0 40 EDAB COCCCNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 224396023 ZLYQWDPQLHPJIB-UHFFFAOYSA-N 340.445 1.691 0 40 EDAB C[C@]1(C(=O)NCC(=O)N2CCCCC2)Sc2ccccc2NC1=O 40808167 QPRTUKIFCOHTNI-QGZVFWFLSA-N 347.440 1.618 0 40 EDAB O=C(N[C@H]1c2ccccc2C[C@H]1O)C1CCN(c2cnccn2)CC1 81703678 KSEYQHYHGUHZCR-AEFFLSMTSA-N 338.411 1.468 0 40 EDAB Cn1ncc(Br)c1CC(=O)N[C@@]12CCC[C@H]1NCC2 1579998549 QJSXEFJMWYFAEJ-DGCLKSJQSA-N 327.226 1.126 0 40 EDAB COCc1ccc(OC)c(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)c1 530142687 JHOSLORDBWJLQF-TXEJJXNPSA-N 343.401 1.325 0 40 EDAB CC(C)[C@H](C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 47363006 SSKPKTRAUOPWMH-LBPRGKRZSA-N 328.434 1.622 0 40 EDAB CCn1nccc1CNC(=O)Cn1cc2c(n1)c(C)nn2C(C)C 46087592 GXEGFMIFAKUFSO-UHFFFAOYSA-N 329.408 1.655 0 40 EDAB CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)COC 574215907 PNHYVCRHJUJDIJ-OAHLLOKOSA-N 331.416 1.872 0 40 EDAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 223275668 DMRFJIADPXGNMU-UHFFFAOYSA-N 338.360 1.751 0 40 EDAB COc1ccc(C(=O)N2CCC(c3cc(C(N)=O)[nH]n3)CC2)cc1F 225560441 YKMRRJCLWHHRDQ-UHFFFAOYSA-N 346.362 1.676 0 40 EDAB C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1nc(N)nc(N(C)C)n1 195536414 HGUQTLPCZHYAIT-IOASZLSFSA-N 342.447 1.870 0 40 EDAB Cc1ccc(CNC(=O)[C@H](C)N2CCc3ccccc3C2)c(=O)n1C 332010428 JUKUBNCDTHLUBV-HNNXBMFYSA-N 339.439 1.757 0 40 EDAB Cc1cc(C)n(C[C@H](C)NC(=O)N2CCN(Cc3ccon3)CC2)n1 96439323 SEWPWIZCCCSOIG-AWEZNQCLSA-N 346.435 1.404 0 40 EDAB Fc1cc(Nc2ccc3nnnn3n2)ccc1NC[C@@H]1CCCO1 96417341 YGIHTAKFGHDBHN-NSHDSACASA-N 329.339 1.993 0 40 EDAB O=C1NC2(CCN(C(=O)c3ccco3)CC2)C[C@@H]1c1cccnc1 96061389 UQGRMTCKGRAONU-CQSZACIVSA-N 325.368 1.953 0 40 EDAB COc1ccc(NC(=O)Cn2c(C)nc3ccc(F)cc3c2=O)cn1 95478109 DTZWBEKDRXZRBN-UHFFFAOYSA-N 342.330 1.886 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccnc2)[nH]n1 96245896 IUHXHKNJTUKHMK-CABCVRRESA-N 325.372 1.129 0 40 EDAB O=C(c1ccccn1)N1CC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 96047747 VOATTWDLUYTDKS-CXAGYDPISA-N 325.372 1.357 0 40 EDAB Cc1ccc(N[C@@H]2CO[C@@]3(CCCN(c4ncccn4)C3)C2)nn1 96048473 CAQDZPSRULXOFQ-YOEHRIQHSA-N 326.404 1.815 0 40 EDAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(C(=O)c2ccc(C)o2)C1 583615090 IBBFPHGJMRLZRA-NEPJUHHUSA-N 327.344 1.628 0 40 EDAB CCS(=O)(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1cccnc1 96041746 LRMSALKZDFMFBN-RRFJBIMHSA-N 326.418 1.180 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(Cl)cc2C)C1 92563845 UGWLCBHVQGHAIL-LBPRGKRZSA-N 330.837 1.802 0 40 EDAB Cc1ccc(N2CCC[C@@]3(COCCN(c4ncccn4)C3)C2)nn1 96228890 WLEQLEKBFBFWNK-GOSISDBHSA-N 340.431 1.698 0 40 EDAB c1cc2nnc(C3CC3)n2nc1N1CCN(C[C@H]2CCCO2)CC1 96453217 FDPFHUQRVXEVJC-CQSZACIVSA-N 328.420 1.303 0 40 EDAB CCCCN(C)c1ccc(C(=O)N(C)[C@@H](C(=O)OC)[C@@H](C)O)cc1 585089920 NKWOXFHPVYDAJA-CZUORRHYSA-N 336.432 1.917 0 40 EDAB COc1ccc(-c2noc(CCCCCS(N)(=O)=O)n2)cc1 585133804 WAEVPBJZUFJMFD-UHFFFAOYSA-N 325.390 1.747 0 40 EDAB O=C1COC2(CCN(C(=O)c3cccs3)CC2)CN1CC1CC1 96062165 JUVOBSMOYNDYON-UHFFFAOYSA-N 334.441 1.992 0 40 EDAB COCCN(C)C(=O)[C@H]1CCCN(Cc2cnc3ccccn23)C1 95413171 QHDTVDJFNRIEGL-HNNXBMFYSA-N 330.432 1.651 0 40 EDAB CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCc1ccccn1 585121919 GEQWZJOHBIPXPV-OAHLLOKOSA-N 348.447 1.291 0 40 EDAB CCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 242565778 CFIRRCIAYVMBCI-UHFFFAOYSA-N 338.351 1.998 0 40 EDAB COC(=O)[C@]1(C)N[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230367 QBGQCINBSKQEPH-AZKPJATDSA-N 336.775 1.147 0 40 EDAB CC(=O)N1CC2(CCN(C(=O)C3CCOCC3)CC2)C[C@@]1(C)CO 257340287 ZFJFDXFXKBDPRR-KRWDZBQOSA-N 338.448 1.025 0 40 EDAB Cc1nn(C)cc1S(=O)(=O)N1[C@@H]2CN[C@@H]3CCCC[C@H]1[C@]3(C)C2 257230357 GBYDIXCCNOSPMZ-DRPJVOAASA-N 338.477 1.412 0 40 EDAB Cc1ccnc([C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1 257305987 SSJLMCQYZGBCSA-AWEZNQCLSA-N 325.434 1.821 0 40 EDAB Cc1n[nH]c(C)c1-c1cnc(C[C@H]2CCN(S(C)(=O)=O)C2)cn1 257269557 MQMCJLDWKFSFKZ-GFCCVEGCSA-N 335.433 1.308 0 40 EDAB COC(=O)c1cscc1NC(=O)N1CCOC[C@@H]1c1nc[nH]n1 252495372 OPBALFMNZZMDPP-SNVBAGLBSA-N 337.361 1.258 0 40 EDAB Cc1cn(C)c([C@@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)n1 257295367 QYAMSWGNYUHPRD-OAHLLOKOSA-N 332.448 1.837 0 40 EDAB Cc1cc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)nc(C)n1 257303785 SISNLFOYFLVJPT-INIZCTEOSA-N 329.404 1.670 0 40 EDAB Cn1cc2c(n1)CCC[C@@H]2NS(=O)(=O)c1ccsc1C(=O)O 1600970520 HLPRRUCUTLTNAO-JTQLQIEISA-N 341.414 1.536 0 40 EDAB CCc1cc(C(=O)NC[C@]2(O)CCCN(c3cc(C)ncn3)C2)on1 257308105 TVKKSWLCGDOCDV-QGZVFWFLSA-N 345.403 1.097 0 40 EDAB CC(=O)N1CCN(C(=O)c2cc(C)nc(O)n2)C[C@@H]1c1ccccc1 257246816 IVYHRVQTVUMSJD-MRXNPFEDSA-N 340.383 1.536 0 40 EDAB CCc1cc(C(=O)N(C)C[C@@]2(O)CCN(c3cc(C)ncn3)C2)no1 257325375 WSSGBGGZPPVZPQ-KRWDZBQOSA-N 345.403 1.049 0 40 EDAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)cc1 257342907 ZQOHNAQDOJRUMW-BRWVUGGUSA-N 338.473 1.603 0 40 EDAB CCCN1CCN(C(=O)c2cc([C@H]3CCCN(C)C3)nc(C)n2)CC1 257284983 PFDRLDWHTOEUAC-INIZCTEOSA-N 345.491 1.762 0 40 EDAB Cc1nccc([C@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1 257295410 QYEZFYMKGWXBRB-CQSZACIVSA-N 345.403 1.824 0 40 EDAB CNC(=O)[C@H]1CN(Cc2ccsc2)CCN(C2CCOCC2)C1 257203238 APEDYBGETIUNEV-HNNXBMFYSA-N 337.489 1.407 0 40 EDAB CNC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(F)c2cccnc12 1615547554 JLTMXSVMWLKAPF-LLVKDONJSA-N 346.362 1.144 0 40 EDAB Cc1cccc2c1OC[C@@H](NC(=O)CNC(=O)c1cscn1)C2 1615579937 LXPXYLQVNPNQOQ-LBPRGKRZSA-N 331.397 1.301 0 40 EDAB COCCCS(=O)(=O)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 1615631283 CKZLYKRTEURVHS-ORVZXPRGSA-N 343.489 1.911 0 40 EDAB Cn1cc(N2C[C@H](C(=O)NCc3cccc4occc34)CC2=O)cn1 606444693 PAVUZOMURCNMQZ-CYBMUJFWSA-N 338.367 1.836 0 40 EDAB O=S(=O)(c1cccnc1)N1CC2(C[C@H](OCC3CC3)CCO2)C1 575404037 LNELVSABBACRCG-CQSZACIVSA-N 338.429 1.430 0 40 EDAB Cc1cc(C)cc(C(=O)N2C[C@H](C(=O)NC3CC3)[C@H]3OCC[C@@H]32)c1 585109422 ODWDENIIHKFPHG-YESZJQIVSA-N 328.412 1.812 0 40 EDAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)c1cncc(C)n1 585288380 YLDZFPLFVHXSJD-KBXCAEBGSA-N 346.431 1.463 0 40 EDAB CO[C@H]1CCCN(Cc2cnccn2)[C@H]1CCC(=O)N1CCCC1 585269065 JJYCSHYUYJPJKE-IRXDYDNUSA-N 332.448 1.859 0 40 EDAB Cc1cc(=O)n(C)cc1NS(=O)(=O)c1ccc(OC(C)C)nc1 585140827 JVWLXDIDRFFNCU-UHFFFAOYSA-N 337.401 1.677 0 40 EDAB Cc1cccc(OC[C@]2(O)CCN(C(=O)c3cncnc3C)C2)c1 585269137 KKIQZWNSKMRCLT-SFHVURJKSA-N 327.384 1.749 0 40 EDAB CN(C)c1c(Cl)cccc1NC(=O)NCC(=O)N=S(C)(C)=O 585141003 NRIVYQFXLFBAFT-UHFFFAOYSA-N 346.840 1.782 0 40 EDAB CC(C)c1nc([C@@H]2CCCN(C(=O)CN3CCN(C)CC3)C2)no1 72277935 BAGXATWOVUDYHI-CQSZACIVSA-N 335.452 1.146 0 40 EDAB CNC(=O)NC(=O)[C@H](C)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 72230333 XULSKRRZLGZISF-RYUDHWBXSA-N 342.440 1.162 0 40 EDAB O=C(Cc1ccccc1)NCCC(=O)N1CCO[C@H]2CCCC[C@@H]21 46489918 NHALSSPUKREPAM-IRXDYDNUSA-N 330.428 1.905 0 40 EDAB Cc1ccccc1-c1nnn(CC(=O)N2CCO[C@H]3CCCC[C@H]32)n1 53115224 WYYMEGNDNBMZIW-CVEARBPZSA-N 341.415 1.819 0 40 EDAB C[C@H](COc1ccc(F)cc1F)NC(=O)N1CC[C@@H](C(N)=O)C1 56897856 BIEXNROKIGNIIR-NXEZZACHSA-N 327.331 1.249 0 40 EDAB CCOC(=O)c1c(N)sc2c1CN[C@@H](C(=O)OC(C)(C)C)C2 95644273 MMSZAOIRTKKFRB-SECBINFHSA-N 326.418 1.863 0 40 EDAB NC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)c(F)c1 78947150 LKAWAFIOTDZBIM-KWQFWETISA-N 329.169 1.972 0 40 EDAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3Cc2cccnc2)n1 12133970 WNOAIRTXJHSVBA-JJTKIYQPSA-N 340.427 1.505 0 40 EDAB Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)[C@@H]2CCCO2)on1 12337708 VPQNEUZSISQPFB-AWEZNQCLSA-N 345.403 1.643 0 40 EDAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N2C(S)=NC(=O)C(C)(C)N12 17072102 OXPFDZBKXLUFBX-NSHDSACASA-N 346.412 1.356 0 40 EDAB CCc1cc(C(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)no1 19522616 GBZMNSYOVCMCGG-LBPRGKRZSA-N 342.399 1.760 0 40 EDAB O=c1oc2cccnc2n1CCn1ccnc1[C@H](O)c1ccccc1 154758343 GLIPMYGPXLWOJV-OAHLLOKOSA-N 336.351 1.968 0 40 EDAB CN1C[C@H](C(=O)N2CCC(Oc3ccncc3Cl)CC2)CC1=O 390826417 KQFAMBKMMBKQBJ-LLVKDONJSA-N 337.807 1.583 0 40 EDAB CC(=O)c1c[nH]c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1 18601550 WNWQHEMAMMCWKU-UHFFFAOYSA-N 335.341 1.173 0 40 EDAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)C(C)(C)C)C2=O 6369233 HDVLXTQULKLLGM-APPDUMDISA-N 338.404 1.646 0 40 EDAB Cc1cn2nc(N3CCN(c4cc(C)nc5ccnn45)CC3)ccc2n1 1888913663 PETISNCWWIKWLG-UHFFFAOYSA-N 348.414 1.715 0 40 EDAB CN1C[C@H]2CN(Cc3cc(F)c(F)cc3F)CC[C@@H]2OCC1=O 2037984037 NYWSVXYLYKWDJO-NHYWBVRUSA-N 328.334 1.783 0 40 EDAB Cc1cc(C(=O)N2CC[C@@H]3C[C@]32C(=O)NCc2cccnc2)n(C)n1 2056223848 HFHDEOQWKVMRAD-RDTXWAMCSA-N 339.399 1.045 0 40 EDAB O=C(c1csnn1)N1CCOC[C@H]1c1nccc(NC2CCC2)n1 1565545811 POZSFPAZEKNDAL-LBPRGKRZSA-N 346.416 1.506 0 40 EDAB COc1cc(S(=O)(=O)NC2CC2)c(OC)c2c(C)cc(=O)[nH]c12 4632193 YQIMVADMDFKMCK-UHFFFAOYSA-N 338.385 1.294 0 40 EDAB CSc1nc2ccc(S(=O)(=O)NC(C)(C)C)cc2n(C)c1=O 4727334 WGTKGDZIBDKQRP-UHFFFAOYSA-N 341.458 1.732 0 40 EDAB CC(=O)N1C(=S)NC(=O)/C1=C\c1cc2cc(C)ccc2[nH]c1=O 17835829 PKYKRHZJRBSSDO-NTUHNPAUSA-N 327.365 1.441 0 40 EDAB CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)Cc2ccccc2)C1 2055772171 DACYPUXDAFFXSO-SFHVURJKSA-N 326.400 1.190 0 40 EDAB Oc1cc(C(F)F)nc(N2CCN(c3ncnc4n[nH]cc34)CC2)n1 2086868997 PJCPIGXYAXXWRV-UHFFFAOYSA-N 348.317 1.113 0 40 EDAB Cc1nc(-c2ccc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc2)no1 42380467 ONRHDCDAWGWPEU-CQSZACIVSA-N 343.387 1.268 0 40 EDAB Cc1c(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)cnn1C 12158538 OCPAKDMMDXJHDZ-CABCVRRESA-N 331.347 1.808 0 40 EDAB Cc1cc(C)nc(N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)n1 40267973 WWBARZJUPFHBLU-LLVKDONJSA-N 331.323 1.709 0 40 EDAB Cc1csc(=O)n1CCC(=O)N(C)Cc1ccc(C(N)=O)cc1 31167892 MMPALLVKGDMHDE-UHFFFAOYSA-N 333.413 1.366 0 40 EDAB Cc1csc(N2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)n1 31378344 HJCDSIKFXOHZEB-UHFFFAOYSA-N 347.444 1.043 0 40 EDAB O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 100907089 SLVLJBWSJIGQQU-JONQDZQNSA-N 341.367 1.748 0 40 EDAB C[C@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)C1 40501567 QARDSPYCAQVUCQ-HNNXBMFYSA-N 338.477 1.176 0 40 EDAB COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1 20734610 DOSRVWPRGHMRFI-OAHLLOKOSA-N 348.790 1.893 0 40 EDAB CC(C)CN1CCO[C@@H](CNC(=O)c2cn(-c3ccccc3)nn2)C1 32270689 XNNFGKOPUHANBZ-INIZCTEOSA-N 343.431 1.354 0 40 EDAB Cc1c(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cnn1C 32294173 JCRGYJDLYBKHMK-UHFFFAOYSA-N 328.294 1.995 0 40 EDAB Cc1ccc(F)cc1S(=O)(=O)NCCCOC[C@H]1CCCO1 32407830 ALJNEWZIOLZXDV-CQSZACIVSA-N 331.409 1.998 0 40 EDAB O=c1c(NCC2CC2)c(N2CCN(Cc3ccccc3)CC2)c1=O 101703138 RNTSPZYAKWODLF-UHFFFAOYSA-N 325.412 1.427 0 40 EDAB O=S(=O)(N1CCCC1)N1CCN(Cc2ccccc2Cl)CC1 32777688 NGMDOWJDULCFTQ-UHFFFAOYSA-N 343.880 1.798 0 40 EDAB Cc1cc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)n[nH]1 54777231 FMSTZKQTMVOUJA-UHFFFAOYSA-N 327.432 1.266 0 40 EDAB COc1cccc(CO[C@@H](C)C(=O)N[C@@H](C(N)=O)c2ccccc2)c1 42876625 MHKBVBAPVZPCOW-SUMWQHHRSA-N 342.395 1.943 0 40 EDAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1S(N)(=O)=O 31384 ZBSGKRHZSNIGAJ-UHFFFAOYSA-N 334.353 1.593 0 40 EDAB COc1ccc(C(=O)Nn2c(C)nnc2-n2nc(C)cc2C)cc1 90555 XBPKGFRDQJYZHG-UHFFFAOYSA-N 326.360 1.782 0 40 EDAB COc1ccc(OC)c(CNS(=O)(=O)c2c(C)noc2C)c1 24452643 WODXOLXMEKUBIV-UHFFFAOYSA-N 326.374 1.787 0 40 EDAB CCn1c(SCc2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C 416329 LUGFCQGOLWVTFX-UHFFFAOYSA-N 348.403 1.885 0 40 EDAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 43283469 NZTCBXWTEXDPNP-AAEUAGOBSA-N 332.360 1.412 0 40 EDAB COC(OC)c1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 1667469 FHDUCEIHPWGQKJ-UHFFFAOYSA-N 338.389 1.459 0 40 EDAB O=C(NCc1cccc(OC[C@H]2CCCO2)c1)c1ccc(=O)[nH]c1 55478690 AKYILOFZUGCNHT-MRXNPFEDSA-N 328.368 1.863 0 40 EDAB Cc1nc(C)n(C[C@H]2CCCN2C[C@@H](O)COc2ccc(F)cc2)n1 106783526 KCYSCUFVXYOADU-IAGOWNOFSA-N 348.422 1.938 0 40 EDAB CCCOC[C@H]1C[C@]2(C[C@](C)(c3csc(N)n3)OC2=O)C(=O)O1 3999410 UVBVHSSYOFXGJL-ZWZTZDBGSA-N 340.401 1.616 0 40 EDAB biogenic C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-n2cccn2)nc1 43936498 VJKKOWPQINJCJK-GFCCVEGCSA-N 345.403 1.797 0 40 EDAB Cc1c(CC(=O)N2CCN(C(C)C)CC2)nnn1-c1ccccc1 57338972 JWVWJTZEXBFRSQ-UHFFFAOYSA-N 327.432 1.671 0 40 EDAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCO2)Nc2ccccc21 100119607 JWZZKZSJYROUJW-FGVQXAILSA-N 327.384 1.481 0 40 EDAB COc1ccc(S(=O)(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 26840704 IBJGOBDFAOSVEV-MELADBBJSA-N 342.461 1.471 0 40 EDAB Cc1cccc(CNC(=O)Cn2nnc(COc3ccccc3)n2)c1 26886185 FAUOBUAESIQRNG-UHFFFAOYSA-N 337.383 1.877 0 40 EDAB COc1ccc(CCCNc2nc3c(cnn3C)c(=O)[nH]2)cc1OC 57841658 WIGHYRGVDLHBFW-UHFFFAOYSA-N 343.387 1.719 0 40 EDAB CC(C)c1noc([C@H](C)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 44586893 NBZQHGUNBZJZSS-KBPBESRZSA-N 336.436 1.825 0 40 EDAB C[C@H](Nc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)NC(N)=O 58194720 HGWVIPHGJRUNCS-GXSJLCMTSA-N 341.795 1.893 0 40 EDAB Cc1nn2c(=O)cc(CN3CCc4ccc(O)cc4CC3)nc2s1 58296795 SFBKCQWVJVPRSZ-UHFFFAOYSA-N 342.424 1.766 0 40 EDAB CC(C)OCCCNC(=O)CN1C=Nc2ccccc2S1(=O)=O 58290053 NIIIGJPNMVJBAE-UHFFFAOYSA-N 339.417 1.282 0 40 EDAB O=c1[nH]ncc(NC[C@@H](c2cccs2)N2CCOCC2)c1Cl 58342205 IOPUNRPOSNVRHA-NSHDSACASA-N 340.836 1.970 0 40 EDAB C=CC(=O)NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1 521396811 FGDQMNBAOOKXML-UHFFFAOYSA-N 337.464 1.566 0 40 EDAB COCCN1CC[C@H](CNC(=O)C[C@@H](C)NC(=O)c2ccccc2)C1 58432079 MNCULEFYIOJQCG-HZPDHXFCSA-N 347.459 1.280 0 40 EDAB CC(C)C[C@@]1(C)NC(=O)N(Cc2nnnn2Cc2ccccc2)C1=O 45101515 ZJFFHCPXHNLVQX-QGZVFWFLSA-N 342.403 1.578 0 40 EDAB CS(=O)(=O)N[C@@H]1CCOC2(CCN(C(=O)C3CC=CC3)CC2)C1 108531733 PEARRXMSOCMALL-CQSZACIVSA-N 342.461 1.042 0 40 EDAB CC(C)Oc1ccc([C@@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3C)cc1 36559086 CQZAHPDXZQHTPN-LBPRGKRZSA-N 330.344 1.085 0 40 EDAB COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)N(C)C)CC1 28974572 NLDOAHVDWYCCIY-UHFFFAOYSA-N 347.868 1.273 0 40 EDAB COc1ccc(CCNC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)cc1 101969231 PFCAHONZNZXOMR-IYBDPMFKSA-N 343.431 1.847 0 40 EDAB COCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1C 45896064 COVSCJGRCQNUDP-AWEZNQCLSA-N 329.360 1.460 0 40 EDAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](C(N)=O)C2)no1 48037896 PJJQLQPMQMGUBL-DZGCQCFKSA-N 328.372 1.470 0 40 EDAB NC(=O)c1ccsc1NC(=O)CN1CCO[C@H](c2ccccc2)C1 29533299 XIFOXBMFHMHEEA-AWEZNQCLSA-N 345.424 1.859 0 40 EDAB CNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)c2ccccc2)n(C)c1 29687214 LMBUREQKZNERDZ-GFCCVEGCSA-N 335.429 1.467 0 40 EDAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420004 XEZKCNMSNGAXPL-LKQDWFRTSA-N 334.347 1.023 0 40 EDAB CN(CC(N)=O)C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 46979407 JCFRUEJAUHNWJY-UHFFFAOYSA-N 344.268 1.588 0 40 EDAB CCn1cnnc1CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O 47020586 SKTKTGQXJUEJSR-CYBMUJFWSA-N 327.388 1.505 0 40 EDAB C[C@H]1CCCC[C@H]1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12609821 WACIXMXEBVEAPU-GXTWGEPZSA-N 329.400 1.775 0 40 EDAB COc1ccccc1[C@@H](C)N(C)C(=O)NCCCNS(C)(=O)=O 48287163 VLPDFVBLPNKKKO-GFCCVEGCSA-N 343.449 1.337 0 40 EDAB C[C@H](Cn1cccn1)NC(=O)NCc1ccc(S(C)(=O)=O)cc1 48342616 JKBWQMSJPQTOBY-GFCCVEGCSA-N 336.417 1.175 0 40 EDAB CCN(CC)CCn1c(NC(=O)c2n[nH]c(O)n2)nc2ccccc21 48353810 VQQRIKGDEWABSH-UHFFFAOYSA-N 343.391 1.454 0 40 EDAB CC1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 13040541 HYGNRAYMIBCBDM-UHFFFAOYSA-N 338.477 1.254 0 40 EDAB CNC(=S)Nc1ccc(N2CCOCC2)c(C(=O)N2CCCC2)c1 9273557 SEMTWDYGUOTIQD-UHFFFAOYSA-N 348.472 1.675 0 40 EDAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN(C)C1CCCCC1)n2C 64000012 NJXRFPRITNVJKR-UHFFFAOYSA-N 347.463 1.988 0 40 EDAB CNc1snc(C)c1C(=O)OCC(=O)NC(=O)NC1CCCC1 14015965 QFZYIDVJXILEAS-UHFFFAOYSA-N 340.405 1.418 0 40 EDAB CC(C)CCNC(=O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 65587576 ASMNZCUPQYTVDP-MRXNPFEDSA-N 338.473 1.620 0 40 EDAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCN(Cc2ccncc2)CC1 65623281 QVHKGWFQQOCYBK-AWEZNQCLSA-N 341.459 1.880 0 40 EDAB O=C(CN1CCN(C(=O)c2ccc(Cl)s2)CC1)NC1CC1 14108312 HESQBLOHEVPKGY-UHFFFAOYSA-N 327.837 1.438 0 40 EDAB COc1cc(F)c(S(=O)(=O)N2C[C@H](CO)CC[C@@H]2C)cc1OC 95454456 JWSQRHTUWKVNON-WDEREUQCSA-N 347.408 1.624 0 40 EDAB CCOC(=O)[C@@H]1[C@@H](c2cccs2)NC(=O)N[C@@]1(O)C(F)(F)F 6576728 PGEUKBIMRDIPOG-RNSXUZJQSA-N 338.307 1.532 0 40 EDAB C[C@@H](CC(=O)NCCS(N)(=O)=O)c1ccccc1C(F)(F)F 96436146 LINPRZJSYQFKRA-VIFPVBQESA-N 338.351 1.604 0 40 EDAB COC[C@@]1(C)NC(=O)N(CC(=O)N[C@H](c2ccccc2)C2CC2)C1=O 66083249 MIDYPCXYMOOLHJ-CRAIPNDOSA-N 345.399 1.211 0 40 EDAB COc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 408669751 RWWAYVKKBKKEKS-YXLJTMCISA-N 330.336 1.619 0 40 EDAB C[C@@H]1CN(CCNCc2ccccc2N2CCOCC2)C[C@@H](C)O1 66971500 CCZKOANDDNNEIB-IAGOWNOFSA-N 333.476 1.722 0 40 EDAB COc1ccc(OCCCC(=O)N2CCN(C[C@H](C)O)CC2)cc1 71871002 DHHZVAYKUBBQDM-HNNXBMFYSA-N 336.432 1.379 0 40 EDAB COc1ccccc1-n1nnc(C(=O)N2CCOCC2(C)C)c1C 71830842 MBMPNZJVZMRPMR-UHFFFAOYSA-N 330.388 1.835 0 40 EDAB CC(C)n1ccnc1CN1CCCN(C(=O)[C@H](C)n2cccn2)CC1 71863931 QRPYNPHPTPJWPX-INIZCTEOSA-N 344.463 1.956 0 40 EDAB CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C 71870354 UAYWBIQRYUMJKE-KGLIPLIRSA-N 341.477 1.914 0 40 EDAB Cc1ccc(F)cc1NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 67557402 BEZAVGBVBFXZFM-LBPRGKRZSA-N 329.397 1.680 0 40 EDAB O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NC1CC1 15586868 KGUFQBOKERUUIT-UHFFFAOYSA-N 335.454 1.985 0 40 EDAB O=C(N[C@H]1CCS(=O)(=O)C1)N(Cc1ccc(O)cc1)CC1CC1 71913589 HTFWFVVOZZFTTI-AWEZNQCLSA-N 338.429 1.501 0 40 EDAB CCn1cnnc1CCNS(=O)(=O)c1ccc(Cl)cc1C 71914069 DTZLLKGYWJTSKZ-UHFFFAOYSA-N 328.825 1.781 0 40 EDAB O=c1c2nnn(-c3ccccc3)c2ncn1Cc1cn2ccccc2n1 71916005 BWHQTOYNTIZLIC-UHFFFAOYSA-N 343.350 1.673 0 40 EDAB CC(C)=CC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 71902957 GZFLGRBXHSOMBC-UHFFFAOYSA-N 342.383 1.768 0 40 EDAB CN(Cc1ccccc1NC(=O)NC[C@H](O)CO)C1CCCCC1 95446464 TTXHJNMZMIMSKC-INIZCTEOSA-N 335.448 1.926 0 40 EDAB c1nc(NC[C@@H]2CCCO2)ncc1CN1CCCn2cncc2C1 72159251 KPFLZVBILVUPHU-INIZCTEOSA-N 328.420 1.670 0 40 EDAB Cc1cc(=O)c(C(=O)NCCc2ccn(-c3cccc(F)c3)n2)c[nH]1 73284250 MOUBKVFIFUDCBL-UHFFFAOYSA-N 340.358 1.981 0 40 EDAB Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 88236724 TYPKITYSPJRLHR-CYBMUJFWSA-N 348.353 1.850 0 40 EDAB O=C(CNC(=O)NC[C@@H]1C[C@]12CCc1ccccc12)NCC1CC1 97048284 RVEXOTVMYQOZBE-HNAYVOBHSA-N 327.428 1.716 0 40 EDAB O=C(c1ccc(F)cc1F)N1CCN(Cc2nnnn2C2CC2)CC1 69464039 RTLUUMRQINVQNK-UHFFFAOYSA-N 348.357 1.244 0 40 EDAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCn2c(C)nnc2C1 69456806 CIYJAVZRGXIVNT-UHFFFAOYSA-N 325.294 1.965 0 40 EDAB CCn1ccnc1CN1CCN(CC[S@](=O)c2ccccc2)CC1 69444125 YAIYKZQFXAADHM-XMMPIXPASA-N 346.500 1.828 0 40 EDAB CN1CCN(C(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)CC1 69420620 MOIIRNRAYKSZBW-UHFFFAOYSA-N 339.321 1.674 0 40 EDAB CN(C)[C@@H](CNC(=O)N[C@H]1COc2ccccc21)c1cnn(C)c1 72287709 JCIQEJRFDHFBCP-GJZGRUSLSA-N 329.404 1.456 0 40 EDAB O=C(COCCOc1ccccc1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269241 NRYVZAHMUUZXSK-ZWKOTPCHSA-N 348.443 1.140 0 40 EDAB Cc1nc(CN2CCC[C@@H](NCc3ccc4c(c3)OCCO4)C2)no1 69510669 UIUAPDXZUBSOLT-OAHLLOKOSA-N 344.415 1.903 0 40 EDAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1c(C)nn(-c2ccccc2)c1Cl 69597098 UXRSTUPBKAEGBZ-HIFRSBDPSA-N 349.818 1.942 0 40 EDAB COC(=O)Cn1ncc2c(N[C@H](C)C(C)(C)CN(C)C)ncnc21 72296164 QOELQJCSHTZNTL-LLVKDONJSA-N 334.424 1.388 0 40 EDAB Cn1cc([C@H]2CCCN2CC(=O)NCCOc2ccc(F)cc2)cn1 69626802 CVVJLEGSRRUJLG-QGZVFWFLSA-N 346.406 1.891 0 40 EDAB Cc1csc(N2CCN(C[C@@H](O)COCc3ccco3)CC2)n1 69653675 WZDNCIWIENUFEK-CQSZACIVSA-N 337.445 1.744 0 40 EDAB Cc1nc(CN2CCC[C@H](NCc3nc(CC(C)C)no3)C2)no1 69629399 FOPRQDRYZFBLHS-ZDUSSCGKSA-N 334.424 1.714 0 40 EDAB Cc1cccc(-n2cccc2/C=C2/NC(=O)N(CC(=O)O)C2=O)c1 408592156 LFLRGDOPVJFHNC-NTEUORMPSA-N 325.324 1.763 0 40 EDAB O[C@H](CN1CCN(CCOCC(F)(F)F)CC1)c1ccccc1 69709478 SMQKFYFHYMQIPY-OAHLLOKOSA-N 332.366 1.917 0 40 EDAB CN(C)[C@@H]1CCCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 69737496 QEIQORLMYGMZNH-QGZVFWFLSA-N 344.459 1.778 0 40 EDAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)NCc1cccs1 69702213 YTCDHMFUXYLWAG-CVEARBPZSA-N 335.473 1.840 0 40 EDAB CC[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCCC3)c2)CCO1 69869836 NDYUAAVEDSUQAW-INIZCTEOSA-N 331.416 1.863 0 40 EDAB CCc1nc(CN(C(C)=O)[C@@H]2CCN(Cc3cnc(C)cn3)C2)no1 89290004 QHAUNPMUOHTXRQ-OAHLLOKOSA-N 344.419 1.353 0 40 EDAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(CCc2cnn(C)c2)C1 84259172 LIFJFZWYTZHHNH-MRXNPFEDSA-N 331.420 1.382 0 40 EDAB COCCN(C)S(=O)(=O)c1ccc(Br)cc1F 97163104 SCPVKJNKAJYNIA-UHFFFAOYSA-N 326.187 1.855 0 40 EDAB CCc1nnc2n1C[C@H](NC(=O)c1cnn(-c3ccccc3)n1)CC2 97199053 WFNMZKGFKJIWRN-GFCCVEGCSA-N 337.387 1.166 0 40 EDAB Cc1c(CC(=O)N2CCC[C@H](C(=O)O)C2)c(=O)oc2cc(O)ccc12 8764516 UZEUNHJWDPRYRC-NSHDSACASA-N 345.351 1.673 0 40 EDAB biogenic CC[C@@H](CNC(=O)c1ccc(F)cn1)NC(=O)c1ccc(F)cn1 97107295 RQZSRFMHMNAGCY-LBPRGKRZSA-N 334.326 1.693 0 40 EDAB O=S(=O)(CCNCc1cc(F)cc(F)c1)N1CCSCC1 95975152 QXZWUYLHOKFNHS-UHFFFAOYSA-N 336.429 1.433 0 40 EDAB COc1ccccc1NC(=O)CCN1CCC[C@@H](N2CCNC2=O)C1 95350157 BJUHLCHWHMWHBK-CQSZACIVSA-N 346.431 1.513 0 40 EDAB CN(C[C@H](O)C(F)(F)F)C(=O)N[C@H]1CCN(CC2CCCC2)C1 95939437 QMEQRNYOPLSDFQ-STQMWFEESA-N 337.386 1.816 0 40 EDAB Cc1ccc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)cc1 89639106 HTWBDSUYRPMRDN-HNNXBMFYSA-N 326.462 1.366 0 40 EDAB C[C@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)C[C@@H]1N(C)C 76050562 UTERYKJRLYJIDK-BBRMVZONSA-N 328.416 1.195 0 40 EDAB CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)CCF)C2 306130111 IWJHUSLIKNLFAF-HNNXBMFYSA-N 335.423 1.881 0 40 EDAB Cc1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)O)c(C)c1 548529639 KWOOEZSYSXWBLZ-OLZOCXBDSA-N 327.402 1.462 0 40 EDAB Cn1cc(-c2cnc3n2C[C@@]2(CCN(S(=O)(=O)C4CC4)C2)C3)cn1 306135839 PCIAUKFLGSPUOP-INIZCTEOSA-N 347.444 1.024 0 40 EDAB Cc1ccc(S(=O)(=O)NC2CN(Cc3nc(C)ccc3O)C2)cc1 517314349 IZUCYEBVJGXFNV-UHFFFAOYSA-N 347.440 1.567 0 40 EDAB CC(C)(C)N(CCS(C)(=O)=O)C(=O)/C=C/c1cncc(F)c1 123354190 PDXLIRDBUWPPDD-AATRIKPKSA-N 328.409 1.906 0 40 EDAB CCc1ccccc1N(CC(=O)N[C@H](C)COC)S(C)(=O)=O 408630067 MZUPZFVFISRQBG-GFCCVEGCSA-N 328.434 1.166 0 40 EDAB C[C@H](O)[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(F)c(F)c1 126763836 ABRALETWAKNSGW-IINYFYTJSA-N 326.343 1.457 0 40 EDAB OCC(CO)N1CCC(Cc2cnc(Nc3ccccn3)cn2)CC1 72363688 DKUJFBIWAOCSRH-UHFFFAOYSA-N 343.431 1.223 0 40 EDAB Cc1cc(CCC(=O)NC2CCOCC2)nc([C@H]2CCCNC2)n1 72366870 METRXJYWNXIGLU-AWEZNQCLSA-N 332.448 1.480 0 40 EDAB COC(=O)c1sccc1NC(=O)CS(=O)(=O)c1ccccc1 72333285 DHANWHKAZBZLNP-UHFFFAOYSA-N 339.394 1.947 0 40 EDAB O=C(CCc1nc(-c2cccs2)no1)NCCN1CCOCC1 36686279 NSKYCCHLOCUYPH-UHFFFAOYSA-N 336.417 1.179 0 40 EDAB Cn1cnc(S(=O)(=O)N2CC[C@@H](Cc3cnc4[nH]ccc4c3)C2)c1 72367673 VSPBSBLZSBSLBT-LBPRGKRZSA-N 345.428 1.550 0 40 EDAB O=C(O)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CCO1 574963903 OXLITAPBRVHULC-ZCFIWIBFSA-N 345.320 1.241 0 40 EDAB Cc1ccccc1C[C@H](CNS(=O)(=O)[C@@H]1CCO[C@@H]1C)C(=O)O 574914625 AIHDJAQYCFFTFX-BPLDGKMQSA-N 341.429 1.335 0 40 EDAB CCn1nc(C)c(CNC(=O)c2cc(O)nc3ncn(C)c23)c1C 575069770 HZVWKUFKTAKRFE-UHFFFAOYSA-N 328.376 1.437 0 40 EDAB Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H]4CN(C)CCO4)C3)[nH]c2c1 85517272 DAOOBGKQIXVGRA-RHSMWYFYSA-N 342.443 1.908 0 40 EDAB Cn1nncc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 225566114 SWSJSYPVVZWNNB-UHFFFAOYSA-N 349.416 1.242 0 40 EDAB CCOCCCNC(=O)c1cccc(N(C)S(=O)(=O)CC)c1 225968423 RFEPSMZKRXNEIJ-UHFFFAOYSA-N 328.434 1.629 0 40 EDAB O=C(NCc1ccnc(N2CCOCC2)n1)c1cccc(Cl)c1 224216300 JNMIHGDKYKNQTK-UHFFFAOYSA-N 332.791 1.897 0 40 EDAB CS(=O)(=O)N[C@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1 96107866 NHXNGHIYFXRJAA-GXTWGEPZSA-N 330.475 1.421 0 40 EDAB Fc1cnc(N2CC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)nc1 96107738 VDUDPRBDHYPHSG-WBVHZDCISA-N 337.395 1.797 0 40 EDAB O=C(c1cscn1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 96065804 SJIYUPUTKRGRTM-RRFJBIMHSA-N 331.397 1.989 0 40 EDAB CN(C)CC(=O)N1CCC2(CC1)CO[C@H](COCc1cccnc1)C2 96106149 VTOXGYMUHIRIOT-KRWDZBQOSA-N 347.459 1.558 0 40 EDAB Cc1noc(-c2ccnc(N3CCC(CN4CCOCC4)CC3)c2)n1 96453512 GRKCCMCROQOYKF-UHFFFAOYSA-N 343.431 1.989 0 40 EDAB O=C(CNC1(c2cccc(Br)c2)CC1)N1CCNC1=O 96491963 MMMGVPQWYSAPLF-UHFFFAOYSA-N 338.205 1.580 0 40 EDAB CN(C)C(=O)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 96239734 SHAHOPIFRJLSRK-AWEZNQCLSA-N 325.363 1.696 0 40 EDAB O=C([C@H]1CCCO1)N1CCc2c(CNc3nccs3)n[nH]c2C1 96255871 MEGQURDMDNEIEL-CYBMUJFWSA-N 333.417 1.542 0 40 EDAB COC(=O)c1ccc([C@@H](N)[C@H](N)c2ccc(C(=O)OC)cc2)cc1 98073365 JAJUJYTZXAOLOG-HZPDHXFCSA-N 328.368 1.960 0 40 EDAB CCOc1cc(N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)ncn1 583616791 DETLWWSSESTMRE-INIZCTEOSA-N 332.408 1.536 0 40 EDAB Cc1nc(N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c2cnn(C)c2n1 583618030 WEMXHVITFZFOHH-HIFRSBDPSA-N 337.387 1.451 0 40 EDAB CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCc1nnc(C(C)(C)C)s1 332775754 KOKRAJUTKFXDMH-VHSXEESVSA-N 339.465 1.550 0 40 EDAB COCC[C@@H]1CO[C@]2(CCCN(C(=O)c3cnn4cccnc34)C2)C1 96073415 KRHZZEMRTDGFIN-KBXCAEBGSA-N 344.415 1.777 0 40 EDAB O=C(NC1CC1)N1CCC2(CC1)CN(c1ccc3c(c1)OCO3)C2=O 96202985 JVSRJZSSOGNIIU-UHFFFAOYSA-N 343.383 1.716 0 40 EDAB Cc1nnc(N2C[C@H]3OC[C@H](CC(=O)NCc4ccco4)[C@H]3C2)s1 96219279 DXVMENUCJGNHCW-IACUBPJLSA-N 348.428 1.597 0 40 EDAB COc1ncccc1CN1Cc2ncn(C)c2[C@@H](C(=O)NC2CC2)C1 248035399 MPHBFYNZPKOWOX-AWEZNQCLSA-N 341.415 1.202 0 40 EDAB CNS(=O)(=O)c1ccc(C(=O)NCCCN2CCC(C)CC2)o1 65443123 IUDOOHJHCXWTCM-UHFFFAOYSA-N 343.449 1.040 0 40 EDAB CCNC(=O)CN(CC)S(=O)(=O)CC[C@@H]1CCc2ccccc21 585115676 NGGQQLBVNUTXRQ-HNNXBMFYSA-N 338.473 1.894 0 40 EDAB Cn1cc(CN2CCO[C@H]3CC[C@H]2[C@@H]3Oc2ncccc2F)cn1 248153404 UYKLJAGYVLMMDX-JYJNAYRXSA-N 332.379 1.765 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2[C@@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1 585129450 JXDFAGABGALTRF-UTUOFQBUSA-N 328.438 1.092 0 40 EDAB Cc1[nH]c2ccc(CNC(=O)CC[C@H]3NC(=O)NC3=O)cc2c1C 65119576 FCDBWBXSRFSGNS-CQSZACIVSA-N 328.372 1.389 0 40 EDAB CC(=O)NCc1cnc([C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)[nH]1 257327277 XATXIEJYQQWVHM-CYBMUJFWSA-N 330.363 1.815 0 40 EDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)C2CCOCC2)n1 257331485 XTBFMFJNHKWOJF-KRWDZBQOSA-N 331.416 1.808 0 40 EDAB COc1cncc(S(=O)(=O)NCCc2ccc(C(=O)O)cc2)c1 540983170 MOIBPGDSUIKABY-UHFFFAOYSA-N 336.369 1.309 0 40 EDAB CCN1CCN(CCNC(=O)c2cc(-c3ccccc3C)n[nH]2)CC1 65437199 RCDNPDIGASKJOG-UHFFFAOYSA-N 341.459 1.752 0 40 EDAB CC(C)N1C[C@@H]2COCCN2C2(CN(C(=O)c3ccccc3)C2)C1 604381817 PTYWVZHGFWJBKW-QGZVFWFLSA-N 329.444 1.306 0 40 EDAB biogenic,in-vitro O=C(C1CCOCC1)N1CCC2(CC1)C[C@H](Cc1cnccn1)CO2 257337416 YSRIGOWLMPQXNI-HNNXBMFYSA-N 345.443 1.843 0 40 EDAB Cc1cc(CCC(=O)O)nc([C@@H]2CCCN2CC2(O)CCOCC2)n1 257323500 WKLUSLGLPZBJCV-HNNXBMFYSA-N 349.431 1.481 0 40 EDAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2cnn(C)c2)n1 257292716 QMQWKQXHWGRIBS-INIZCTEOSA-N 327.388 1.429 0 40 EDAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1cncs1 257261353 LGZCOCFPOVPHQA-HNNXBMFYSA-N 333.417 1.037 0 40 EDAB Nc1cccc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257297036 RFMVCZFHCBWFHT-CQSZACIVSA-N 327.388 1.479 0 40 EDAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)Cc1cccnc1 257251080 JPHWAYXQIKMHAT-MRXNPFEDSA-N 326.400 1.583 0 40 EDAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2ccc3oc(=O)n(C)c3c2)C1 257228852 FVOCEHMZVHGWNA-GFCCVEGCSA-N 326.356 1.793 0 40 EDAB Cc1nccc([C@H]2CN(C(=O)c3noc4c3CCCC4)CCO2)n1 257337175 YRSQDWMQHTVRLO-OAHLLOKOSA-N 328.372 1.866 0 40 EDAB CCOc1cc2c(cc1CNC(=O)[C@@H](C)S(C)(=O)=O)O[C@@H](C)C2 65447638 CKZLIUPTONULSU-WDEREUQCSA-N 341.429 1.458 0 40 EDAB CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)Cc2cccc3cccnc23)C1 262993750 KHQCSESVXAZIPJ-GJZGRUSLSA-N 328.368 1.868 0 40 EDAB Cn1ccnc1[C@@H]1CN(C(=O)c2csc(C(F)(F)F)n2)C[C@H]1N 1615591994 QGSCJYIGSRMKEO-HTQZYQBOSA-N 345.350 1.462 0 40 EDAB CC(C)(C)OC(=O)N1CC2(C[C@H](N[C@@H]3CCCOC3)c3ncnn32)C1 1616037605 KOSTYFUWQLBFAI-OLZOCXBDSA-N 349.435 1.438 0 40 EDAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2ccsc2)CC1 27373062 IGXKNFNOIMNSQV-LBPRGKRZSA-N 347.492 1.460 0 40 EDAB COc1nc(CNC(=O)c2cccc(C(F)(F)F)c2)nc(OC)n1 575603748 JVQXUVQYIRSNMX-UHFFFAOYSA-N 342.277 1.838 0 40 EDAB CCOC(=O)c1c(C)nn2c(=O)cc(CN3CCOCC3(C)C)[nH]c12 65512793 NLYJGGMAQDEQAD-UHFFFAOYSA-N 348.403 1.119 0 40 EDAB CO[C@@H]1CCN(Cc2cccc(C)n2)C[C@H]1CC(=O)N1CCOCC1 585278639 UVWPDPGETUGESB-SJLPKXTDSA-N 347.459 1.476 0 40 EDAB CC(C)C(=O)N1CCn2cc(CC(=O)NCc3ccco3)nc2[C@@H]1C 585096789 AOCQIULYHFDBIH-ZDUSSCGKSA-N 344.415 1.894 0 40 EDAB Cn1cc(CCC(=O)N2CC[C@](O)(COc3ccccc3)C2)cn1 585270999 DPGXIYSSSLQKJC-GOSISDBHSA-N 329.400 1.395 0 40 EDAB COCCN1CCN(CC(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)CC1 69652620 YSZMMQBPXLVTHE-RCCFBDPRSA-N 337.508 1.678 0 40 EDAB Cc1ccc(N2C[C@H]3CN(C(=O)Cc4c(C)noc4C)C[C@H]3C2)nn1 1066007320 CPHSPRMSHAGTCY-GASCZTMLSA-N 341.415 1.527 0 40 EDAB C[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1 44891309 VTLOZDVNPQXCKT-ZDUSSCGKSA-N 325.434 1.077 0 40 EDAB Cc1ccc(=O)n(CC2CN(C(=O)COc3ccc(Cl)cc3)C2)n1 1775985937 JYMLDYGYJDWVNE-UHFFFAOYSA-N 347.802 1.743 0 40 EDAB Cc1ccnc(N2CCN(c3ccc(-c4ccccn4)nn3)CC2)n1 1776008442 FMZJIXWIFVZYEB-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@H]1CC(=O)N(CC2CC2)C1 56954518 VVAAFDGPGDBZSF-ZFWWWQNUSA-N 332.404 1.259 0 40 EDAB CN1CCC[C@H](CNC(=O)N2CCNC(=O)C2)[C@@H]1c1cccs1 74538658 DUYQEYXDDDHEQG-IUODEOHRSA-N 336.461 1.272 0 40 EDAB O=C(CN1CCCC1=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 75147838 OFXKBLUBFRDBBQ-UHFFFAOYSA-N 344.350 1.240 0 40 EDAB COC(=O)c1ncn(CN2CCC(c3cccc(OC)c3)CC2)n1 58281141 JZAHLZXKNDKXFP-UHFFFAOYSA-N 330.388 1.910 0 40 EDAB Cc1nnsc1C(=O)N1CCC(c2nn(C)c(=O)n2C2CC2)CC1 77148719 BJNARVCWFMJGKE-UHFFFAOYSA-N 348.432 1.096 0 40 EDAB NC(=O)COc1ccccc1C(=O)NCCc1ccc2c(c1)OCO2 40473972 RGXNPMAXIATQPY-UHFFFAOYSA-N 342.351 1.252 0 40 EDAB Cc1nnnn1-c1cccc(NC(=O)c2ccc3c(c2)nnn3C)c1 103757567 IPFUHVFNONOOAB-UHFFFAOYSA-N 334.343 1.505 0 40 EDAB CCc1nocc1CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1615056499 ZLZQBZRWSSOMOX-KGLIPLIRSA-N 325.409 1.697 0 40 EDAB CCSc1nnc(C2CCN(C(=O)N3CCOCC3)CC2)n1C 5001354 BYIOMFXKCIFXOX-UHFFFAOYSA-N 339.465 1.559 0 40 EDAB O=C(Cc1ccc(F)cc1)NCCc1nc(-c2ccncc2)n[nH]1 12114868 TWKHNGBHXATWCX-UHFFFAOYSA-N 325.347 1.907 0 40 EDAB COc1cc(OC)c(OC)cc1CN1C[C@H]2C[C@@H](O)CN2C[C@H]1C 19575222 YSLQVUOJLZKJEI-BPLDGKMQSA-N 336.432 1.352 0 40 EDAB CC(=O)N[C@@]12CN(C)CC[C@@H]1CN(C(=O)Cc1ccc(C)c(C)c1)C2 19713741 KPXNRZFEFGUARR-UYAOXDASSA-N 343.471 1.515 0 40 EDAB CN(C)C(=O)[C@]1(C)CCCN1C(=O)CCN1CCc2ccccc21 19746803 LVGBJTHUTJXXFU-IBGZPJMESA-N 329.444 1.909 0 40 EDAB O=S(=O)(Cc1cccc(F)c1)N[C@H]1CCN(c2nccs2)C1 206818110 CTMOJNUXPIBRHY-ZDUSSCGKSA-N 341.433 1.981 0 40 EDAB Cn1cc(CN2CC[C@@H](Oc3ccccc3)[C@H](CC(N)=O)C2)cn1 643913862 JRUASPUFBJLICT-NVXWUHKLSA-N 328.416 1.565 0 40 EDAB Cc1cc(C)n2nc(C(=O)N3CC(OCC(F)(F)F)C3)nc2n1 390832029 WSCAFTGQBCSUHL-UHFFFAOYSA-N 329.282 1.144 0 40 EDAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 3329638 IELRTLRGOXRXAA-JTQLQIEISA-N 329.381 1.996 0 40 EDAB O=C(NC1CC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 8034915 SYWROSQRIBELDC-JLHYYAGUSA-N 334.441 1.978 0 40 EDAB Cc1cc(N2CCN(c3ncnc4cc[nH]c34)CC2)n2nccc2n1 1888897778 NGLONJZNBAQHSQ-UHFFFAOYSA-N 334.387 1.636 0 40 EDAB CN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccco1 14164721 BCISAWKCZNWFIQ-UHFFFAOYSA-N 337.401 1.388 0 40 EDAB CN(CC(C)(CO)CO)c1ccnc2cc(Br)cnc12 158091395 PKFLPPPWVJBFDC-UHFFFAOYSA-N 340.221 1.819 0 40 EDAB O=C(C1CCCCC1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238849692 JEDBHQSDVSVZPW-UHFFFAOYSA-N 340.449 1.213 0 40 EDAB CC(C)N(C)CC(=O)N1CCc2ncnc(-c3cccnc3)c2C1 1565556641 OQRXLZVVAFWZTA-UHFFFAOYSA-N 325.416 1.764 0 40 EDAB COc1ccc(N2C[C@@H](NC(=O)NCc3ccccn3)CC2=O)cc1 4272627 HCHMCIGCKHXVIE-AWEZNQCLSA-N 340.383 1.695 0 40 EDAB Cc1c(C)n2c(SCC(=O)Nc3nccs3)nnc2[nH]c1=O 4250419 UCQSEFLOWDKPDB-UHFFFAOYSA-N 336.402 1.222 0 40 EDAB Cn1c(-c2ccccn2)nn(CCNC(=O)/C=C/c2ccccc2)c1=O 38533236 KCDVXORIBUQFKK-ZHACJKMWSA-N 349.394 1.473 0 40 EDAB O=C(c1c(F)cccc1F)N1CCN(S(=O)(=O)C2CC2)CC1 42383984 QOGFUCUJRNBYDM-UHFFFAOYSA-N 330.356 1.215 0 40 EDAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@]2(O)C=CCCC2)cc1 606440465 WPQCXCJWCPHLMA-INIZCTEOSA-N 338.429 1.138 0 40 EDAB O=C([C@@H]1CCCO1)N1CCC(NS(=O)(=O)c2cccs2)CC1 30692247 DCRLBFSAIQKSAB-LBPRGKRZSA-N 344.458 1.196 0 40 EDAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCOc4ccccc43)ccc21 30581632 BDZHLRKSFITUIX-UHFFFAOYSA-N 346.364 1.719 0 40 EDAB CS(=O)(=O)N1CCC(NC(=O)c2ccc3ccccc3n2)CC1 40497245 CECZKVKLFLTRBA-UHFFFAOYSA-N 333.413 1.389 0 40 EDAB CCCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@H](Cn2cncn2)C1 100926689 NNGNUVMTQSGXRL-SSPLZPMDSA-N 345.451 1.047 0 40 EDAB Cn1c(=O)ccn(CC(=O)N[C@H](c2ccccc2)C2CCCC2)c1=O 40553991 OAYJTSAHFFWTBI-GOSISDBHSA-N 341.411 1.595 0 40 EDAB COCCCNC(=O)c1cc(Cl)c(-n2cnnn2)cc1OC 40553279 BCFJAYLKDZPXQB-UHFFFAOYSA-N 325.756 1.091 0 40 EDAB CCOC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 101000819 DNUGGEMJARCRKS-AAEUAGOBSA-N 344.327 1.078 0 40 EDAB CCc1cc(NCc2cccnc2N2CCOCC2)n2ncnc2n1 51799511 XXRJNKWZIIYBTK-UHFFFAOYSA-N 339.403 1.530 0 40 EDAB O=C(OC1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 32815693 SIHKMTBYLANSJO-UHFFFAOYSA-N 343.401 1.790 0 40 EDAB CC(=O)N1c2ccc(S(=O)(=O)[C@H](C)CC(=O)O)cc2C[C@@H]1C 32917662 MHPUYGBLBLYFIU-VHSXEESVSA-N 325.386 1.621 0 40 EDAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCc1cccnc1 102896233 VUTKSEUIJUQXSW-HUUCEWRRSA-N 329.400 1.306 0 40 EDAB COc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1OC 428862 YBVSZNGXBCDMQC-UHFFFAOYSA-N 341.323 1.623 0 40 EDAB Cc1ccc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 493815 SYUXLHRDEOEQBT-UHFFFAOYSA-N 325.372 1.664 0 40 EDAB COc1cc2c(cc1OC)-c1cc(N3CCOCC3)nc(=O)n1CC2 542286 RPCPLDPCMMORHU-UHFFFAOYSA-N 343.383 1.320 0 40 EDAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCCCn1cncn1 41862983 JPXGNHGWFSPPKO-CQSZACIVSA-N 327.388 1.376 0 40 EDAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(C[C@H]2CCCO2)CC1 22774299 XNEMNMSMVGCIDJ-WMLDXEAASA-N 335.423 1.949 0 40 EDAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1occc1COc1ccccc1 23028125 VJAXOVHXWWWEPA-CYBMUJFWSA-N 335.381 1.776 0 40 EDAB C[C@@H](NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1cccnc1 23109514 YTXGMMDLDKRLEH-LLVKDONJSA-N 326.331 1.808 0 40 EDAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1nc[nH]n1 23141716 RVBSAMUGVAOYKV-UHFFFAOYSA-N 349.416 1.161 0 40 EDAB COCCN1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)CC1 42565579 BJJXGPNVTDUYHX-CVEARBPZSA-N 349.475 1.525 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(N2CCCS2(=O)=O)cc1 42854924 INVIOROAEBGSSN-CHWSQXEVSA-N 339.461 1.942 0 40 EDAB COC(=O)Cn1ncc(N2CCc3ccccc3C2)c(Cl)c1=O 3167558 KWWKPAXITGXUGL-UHFFFAOYSA-N 333.775 1.632 0 40 EDAB Cn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O 420558 ZDBMNZZXKHQYMR-UHFFFAOYSA-N 329.381 1.935 0 40 EDAB Cn1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)cc1=O 24993973 LOWKBJDSRRKNTH-OAHLLOKOSA-N 325.368 1.629 0 40 EDAB CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cccs1 779346 CSKAAOFRCPZBES-UHFFFAOYSA-N 338.458 1.977 0 40 EDAB CCN(C(=O)Cn1cncn1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106630832 NTRXGDFPPFEKKK-NVXWUHKLSA-N 327.432 1.962 0 40 EDAB O=C(C1CCN(c2cnccn2)CC1)N1CC[C@@](O)(C(F)(F)F)C1 78025614 LCMPGFKAAFWRSM-AWEZNQCLSA-N 344.337 1.219 0 40 EDAB CC(C)c1nc([C@H]2CCCN2C(=O)C[C@H]2CCS(=O)(=O)C2)no1 78881278 CTKSRVNIFHLZPS-VXGBXAGGSA-N 341.433 1.681 0 40 EDAB Cc1cc(NC(=O)[C@H](C)N2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)no1 78893004 FCPWMHGJISHJKY-RYUDHWBXSA-N 348.407 1.625 0 40 EDAB Cc1n[nH]c([C@@H]2CN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CCO2)n1 106918274 CQRIAWLZDXJZIM-YGRLFVJLSA-N 340.387 1.484 0 40 EDAB CCO[C@@H](C)c1noc(CN2CCO[C@H](c3nc(CC)n[nH]3)C2)n1 107354425 NXKMWRUTCZBEMX-QWRGUYRKSA-N 336.396 1.421 0 40 EDAB Cc1ccccc1OC[C@H](C)NC(=O)NCCNc1cnccn1 56861679 GJZUGHUXZTUUSH-AWEZNQCLSA-N 329.404 1.964 0 40 EDAB COCCCNC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 6426754 DMSMCOAFQULKSU-CYBMUJFWSA-N 328.434 1.302 0 40 EDAB COCCN(CCOC)C[C@H](O)COCc1ccc(OC)cc1 6936568 QYXWCSBBONNTEK-INIZCTEOSA-N 327.421 1.168 0 40 EDAB CN(Cc1ccccc1CNC(=O)[C@H]1CNC(=O)N1)C1CCCCC1 89361471 FGKGDYCEVNYPEN-QGZVFWFLSA-N 344.459 1.749 0 40 EDAB NC(=O)C1CCN(C(=O)c2ccc(Br)cc2O)CC1 44490170 DCMCOEKXTOPZAU-UHFFFAOYSA-N 327.178 1.492 0 40 EDAB Cc1nn(C)c2cnn(CCNC(=O)[C@@H](C)Oc3ccc(F)cc3)c12 57279846 GJUYDCFFAAXYNX-GFCCVEGCSA-N 345.378 1.801 0 40 EDAB O=c1c2ncn(CN3CCCCC3)c2ncn1CN1CCCCC1 59483922 NAKIIQSHUAOOMY-UHFFFAOYSA-N 330.436 1.480 0 40 EDAB O=C(NCCOc1cccc(F)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 27719961 SVYYBNBVHZDCMM-ZDUSSCGKSA-N 346.358 1.962 0 40 EDAB CCOc1ccc(S(=O)(=O)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 44947575 HSKINZWPZQLYBM-OCCSQVGLSA-N 341.429 1.543 0 40 EDAB Cc1cc(N2CCC(C(N)=O)CC2)n2nc(C(F)(F)F)nc2n1 28068822 BJYDCDBAOQGJKB-UHFFFAOYSA-N 328.298 1.153 0 40 EDAB CNC(=O)NC(=O)CSc1nnc(NC2CCCCC2)s1 28680196 HNOZJNZTIKGLOF-UHFFFAOYSA-N 329.451 1.830 0 40 EDAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCS(=O)(=O)C2)cc1F 11010604 OMNBKZVOTJRFEX-GHMZBOCLSA-N 343.376 1.439 0 40 EDAB O=C(c1nnc2ccc(N3CCOCC3)cc2n1)N1CCSCC1 57280185 JVOKDPXQTXHCGM-UHFFFAOYSA-N 345.428 1.050 0 40 EDAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NOCC 45871017 RABBIXXVDUIUQR-LBPRGKRZSA-N 339.417 1.352 0 40 EDAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCO[C@H]2CCCC[C@@H]21 46487887 DHXZOIVXFJAKGR-HOTGVXAUSA-N 343.431 1.844 0 40 EDAB COC(=O)CNC(=O)COC(=O)c1cc(SC)ccc1Cl 2633448 FQDJKQKZCXDQQZ-UHFFFAOYSA-N 331.777 1.508 0 40 EDAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2nc3ccccc3o2)C1 48164260 WGAJPLNCMAWMQJ-STQMWFEESA-N 348.424 1.969 0 40 EDAB COc1ccc(OC)c2c1CN(C(=O)NC[C@H]1CCOC1)C[C@@H]2O 47067334 FUDNBAOMZSOZOW-YPMHNXCESA-N 336.388 1.299 0 40 EDAB CCN(C[C@@H]1CCOC1)C(=O)/C(=C/c1ccccc1)n1nnnc1C 48261538 QBULQCCHDXPVCB-FDIDWWNZSA-N 341.415 1.865 0 40 EDAB CC(C)CN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 47442001 UASNEERHLPRNHG-UHFFFAOYSA-N 328.420 1.005 0 40 EDAB C[C@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccncc1 69920393 NMXZFWWRAOCMOE-HOTGVXAUSA-N 332.448 1.896 0 40 EDAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccccc1)C2=O 3370273 RNURKYPNQGCRKX-UGSOOPFHSA-N 329.400 1.804 0 40 EDAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(S(C)(=O)=O)c1 62379925 CXJNXIKLHHAUSP-GHMZBOCLSA-N 341.433 1.515 0 40 EDAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](C)N3CCOCC3)cn2)n1 19656312 ZBRREXUGTPZLID-OAHLLOKOSA-N 343.431 1.335 0 40 EDAB O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 3491195 QSZXYHXHDBCOFC-UHFFFAOYSA-N 349.387 1.367 0 40 EDAB C[C@@H](Sc1ncn(-c2ccccc2)n1)c1nc(N)nc(N(C)C)n1 12917028 VRCLDNWTGBCKBT-SNVBAGLBSA-N 342.432 1.954 0 40 EDAB Cc1csc2nc(Cn3c(-c4ccccn4)noc3=O)cc(=O)n12 89708868 DNJCAUQLOLKOGT-UHFFFAOYSA-N 341.352 1.324 0 40 EDAB NC(=O)C1(CNCc2cccc(Br)c2)CCOCC1 89774418 HBWBZHYQJIOWQC-UHFFFAOYSA-N 327.222 1.821 0 40 EDAB Cc1nc(S(=O)(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)cn1C 89709012 CYLMHXOJEOWNIB-ZDUSSCGKSA-N 348.428 1.092 0 40 EDAB CN(C)[C@](C)(C(=O)NCC(=O)Nc1cccnc1)c1ccc(F)cc1 95402772 GCDRJSNJWBYPGS-SFHVURJKSA-N 344.390 1.752 0 40 EDAB CN(C(=O)COc1ccccc1P(=O)(O)O)C1CCCCC1 9419381 LPMHFLUGPCWMLQ-UHFFFAOYSA-N 327.317 1.660 0 40 EDAB C[C@@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)NC(=O)NC1CC1 9466508 CZPWOHAQJCTSHA-MRVPVSSYSA-N 344.400 1.679 0 40 EDAB COc1ccc(CN2CCN(C(=O)Cn3cc(C)cn3)CC2)cc1F 65496161 HPAOIMHLQCUMJA-UHFFFAOYSA-N 346.406 1.684 0 40 EDAB Cc1ccc(CNC(=O)N[C@@H]2CCCc3c2cnn3CCO)cn1 65417439 XHCBXTMRWVZPSK-OAHLLOKOSA-N 329.404 1.456 0 40 EDAB C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 14199948 BQJJZICPKJRGHV-GJZGRUSLSA-N 338.496 1.807 0 40 EDAB CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1nnnn1-c1ccccc1 14140964 LAVNJFRFKHYWME-LLVKDONJSA-N 348.432 1.625 0 40 EDAB O=C(NC[C@H]1CCS(=O)(=O)C1)N(Cc1ccccc1)CC(F)F 89832529 GKAPIRRTNDVRMG-CYBMUJFWSA-N 346.399 1.898 0 40 EDAB COc1ccc(CNC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 6537915 PXPOZSWIHFDMDG-AWEZNQCLSA-N 333.388 1.278 0 40 EDAB COc1cccc(C[C@H]2NS(=O)(=O)c3ccccc3[C@H]2O)c1OC 9576201 ZERNXQGWFDJTGH-CZUORRHYSA-N 349.408 1.640 0 40 EDAB CCn1ccnc1CN[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 71870741 ZOPQDUBAMUCIAY-CQSZACIVSA-N 330.436 1.918 0 40 EDAB Cc1cccc(C(=O)N2CCN(C[C@H](C)O)CC2)c1-n1cccc1 71871257 NYUWNPDDZXUQTQ-INIZCTEOSA-N 327.428 1.924 0 40 EDAB CCOc1nnc(CN[C@@H]2CCCN(c3ccc(C)nn3)C2)s1 71859790 FYWCTCRLHWXBMN-GFCCVEGCSA-N 334.449 1.794 0 40 EDAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)no1 7057860 QRGKMUNTVXWNCA-VIFPVBQESA-N 342.311 1.404 0 40 EDAB CCc1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)C2CC2)cc1 71844478 SBQWTQBZEBVIRF-UHFFFAOYSA-N 327.428 1.811 0 40 EDAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCCN(c3nccs3)CC2)cn1 71841612 HDUBWCJJUDSZOO-ZIAGYGMSSA-N 331.445 1.719 0 40 EDAB Cn1cc(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)cc1C(N)=O 71856771 VJFBLOZIORFRQB-UHFFFAOYSA-N 340.383 1.580 0 40 EDAB CC(C)(CNC(=O)NCC1CCN(Cc2ccccc2)CC1)C(N)=O 67773778 ZYFQOPCLBQDRSY-UHFFFAOYSA-N 346.475 1.709 0 40 EDAB O=S(=O)(NCCNc1ncccn1)c1cc(F)ccc1Cl 71914591 DMKSAFQJTNXODN-UHFFFAOYSA-N 330.772 1.660 0 40 EDAB C[C@H](NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)c1ccccc1 408654186 JZZLCAIUZAFEQN-VALKIAGGSA-N 343.379 1.605 0 40 EDAB CC(C)CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O 16463009 HXGZTFZAXVMRNT-MRXNPFEDSA-N 339.342 1.504 0 40 EDAB O=C(NCCc1cn2ccccc2n1)N1CC[C@](O)(C(F)(F)F)C1 81475095 DKXLRMQPHINXIU-CQSZACIVSA-N 342.321 1.586 0 40 EDAB CN(C)c1cccc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)c1 73941262 VYRJOVGFJPLEHF-SFHVURJKSA-N 346.475 1.759 0 40 EDAB CCN(CC(=O)NCCc1c(F)cccc1F)CC(=O)N(C)C 70039258 HTBXKQGJJUYDNN-UHFFFAOYSA-N 327.375 1.034 0 40 EDAB CCNc1cc2c(nn1)CCN(C(=O)c1c(C)nn(C)c1Cl)C2 70012046 SLHVYIVDMVUMDQ-UHFFFAOYSA-N 334.811 1.802 0 40 EDAB COCCN1CCN(Cc2cc(=O)n3cccc(C)c3n2)C[C@H]1C 70020610 RDMDGGQGJQJPBQ-OAHLLOKOSA-N 330.432 1.155 0 40 EDAB CN(C)C(=O)CN1CCN(Cc2nccn2Cc2ccccc2)CC1 69350866 ZLHJCXFZTQGNOU-UHFFFAOYSA-N 341.459 1.137 0 40 EDAB NC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 8316215 MKQFCCWBGCHEOM-UHFFFAOYSA-N 348.362 1.643 0 40 EDAB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)cc1 8380514 QBEAQTPOKBFCBV-DOMZBBRYSA-N 338.429 1.184 0 40 EDAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C 69417467 TVUVXMXFHRUVKX-ZYHUDNBSSA-N 342.465 1.105 0 40 EDAB OCCN(Cc1ccccc1)C[C@H](O)c1ccc2c(c1)OCCO2 69488780 SRKUOAZYJXEJMS-KRWDZBQOSA-N 329.396 1.986 0 40 EDAB O=C(Cn1nnc2ccccc21)Nc1ccc(-c2noc(=O)[nH]2)cc1 69585374 ROVAHFWICFOZOA-UHFFFAOYSA-N 336.311 1.413 0 40 EDAB Cc1cnn(CCC(=O)N2CCC(c3nnc4n3CCC4)CC2)c1 95954019 RBPXLWTVMSOJDL-UHFFFAOYSA-N 328.420 1.526 0 40 EDAB Cc1cc(NC(=O)CN2CCCC[C@@H]2Cn2nc(C)nc2C)on1 69621270 NIEZOWBHCGXUJE-CQSZACIVSA-N 332.408 1.685 0 40 EDAB CC(C)n1cnc(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 95973696 SLIKQJWDSLMLAW-SNVBAGLBSA-N 327.328 1.152 0 40 EDAB CO[C@@H](CNC[C@@H]1CNc2c(C(N)=O)cnn2C1)c1ccccc1 69739563 SHJICEIHRHTEMD-DOMZBBRYSA-N 329.404 1.001 0 40 EDAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)CS(C)(=O)=O)cc2)n1 69741124 NSAFICXCJFVMRQ-CYBMUJFWSA-N 349.456 1.711 0 40 EDAB CCn1nnc2cc(C(=O)N3CCn4c(nnc4C(C)C)C3)ccc21 69739228 KMKUYEYAEQLVRE-UHFFFAOYSA-N 339.403 1.822 0 40 EDAB C[C@@H]1CO[C@H](CO)CN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 97083759 XOTOFOJAJKINNB-MFKMUULPSA-N 340.786 1.641 0 40 EDAB C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 97050627 LYZODWWCSYLDHL-QYHDQYMBSA-N 348.418 1.854 0 40 EDAB NC(=O)[C@H]1CCCCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 97083527 LAHZHELTLOBMNX-CQSZACIVSA-N 337.786 1.900 0 40 EDAB O=C(NCc1cccnc1)NCc1ccccc1CN1CC[C@H](O)C1 97081117 JSQLHEUBJUQQLX-SFHVURJKSA-N 340.427 1.648 0 40 EDAB Cc1cnn(C[C@@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)c1 71185909 OYDSFKCPSIZRSS-KRWDZBQOSA-N 340.427 1.482 0 40 EDAB C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(S(N)(=O)=O)o1 83010659 ZHBGFWUYFLSDOH-NSHDSACASA-N 349.412 1.408 0 40 EDAB COC(=O)Cn1ccc(NC(=O)Nc2nnc(CC(C)C)s2)n1 97164621 FNSOTQCXMAZLFE-UHFFFAOYSA-N 338.393 1.750 0 40 EDAB Cc1cc(C)c(NC(=O)CNC(=O)CNC(=O)C(C)(C)C)c(C)c1 9113897 KNYRVYFPQBYSBZ-UHFFFAOYSA-N 333.432 1.829 0 40 EDAB CCCn1nc2c(cc1=O)CN(CC(=O)Nc1ccncc1)CC2 72302276 PBJCVAVMLMXOLE-UHFFFAOYSA-N 327.388 1.045 0 40 EDAB O=C(O[C@@H]1CCOC1=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 84397786 GZIDEYDGPFGDHU-DZGCQCFKSA-N 349.358 1.466 0 40 EDAB c1ccc(-c2noc(C3CCN(c4ccc5nnnn5n4)CC3)n2)cc1 95350149 HFRXWTLDEASPSI-UHFFFAOYSA-N 348.370 1.953 0 40 EDAB CC(=O)N1CCCN([C@H]2CN(CC3(O)CCCCC3)C[C@@H]2C)CC1 84714416 MSDILCHUZXSWBY-WMZOPIPTSA-N 337.508 1.556 0 40 EDAB COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1ccncc1N 95451095 RLSSMPKIRISGOD-LLVKDONJSA-N 329.356 1.534 0 40 EDAB Cc1ccc2c(C)nc(Nc3nc(C)c(CCO)c(=O)[nH]3)nc2c1 20673209 BBCJPUGTTUGWSU-UHFFFAOYSA-N 325.372 1.917 0 40 EDAB COc1cccc(OC(F)(F)F)c1S(=O)(=O)N(C)CC(=O)O 530139862 SKKRXXBNIGVQEN-UHFFFAOYSA-N 343.279 1.299 0 40 EDAB CC(C)CCNc1ccc2nnc(CCC(=O)N3CCOCC3)n2n1 32103713 RXTWFGXSGOHIII-UHFFFAOYSA-N 346.435 1.374 0 40 EDAB CCc1ccc([C@H]2[C@@H](S(C)(=O)=O)[C@@]2(COC)C(N)=S)cc1 218494294 YGJANHUYSDUOHE-GUTXKFCHSA-N 327.471 1.678 0 40 EDAB CCN(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)CN 79392916 QDVQKLOKTFGMEH-INIZCTEOSA-N 333.432 1.842 0 40 EDAB O=C(OCCCn1ccccc1=O)[C@@H]1CCCN(C(=O)C2CC2)C1 78556650 QYEIPTPQAVSVTB-OAHLLOKOSA-N 332.400 1.430 0 40 EDAB O=C([C@H]1CCCO1)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1 72334904 OSLMCPDXYVJQNQ-MRXNPFEDSA-N 343.383 1.846 0 40 EDAB COCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1 217464779 OLXSXVDWYBAZNP-UHFFFAOYSA-N 342.417 1.664 0 40 EDAB Cc1cc(Cl)cc(C(=O)N2CCO[C@@H](CN(C)CC(=O)O)C2)c1 566224934 LWMCLBXGEIOEMY-AWEZNQCLSA-N 340.807 1.506 0 40 EDAB CN(C)C(=O)c1nnn(-c2ccc(NC(=O)c3ccccc3)cc2)n1 70999911 FBRJOCGHNPORKT-UHFFFAOYSA-N 336.355 1.616 0 40 EDAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](c2ccc(F)cc2)C1(CO)CO 218449533 WSXDTOVYXUZAOF-JKSUJKDBSA-N 336.384 1.736 0 40 EDAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCCc2ccco2)c1 225425683 RYEQMWWCMBSIMY-UHFFFAOYSA-N 336.413 1.893 0 40 EDAB O=C(c1ccc2[nH]cnc2c1)N1CCc2nc3ccccn3c(=O)c2C1 225778715 IIWODSQQJDLFCX-UHFFFAOYSA-N 345.362 1.769 0 40 EDAB CCNS(=O)(=O)[C@H]1CCN(Cc2nc3ccccc3n2CC)C1 195555866 XLRJKWFJRKYZGY-ZDUSSCGKSA-N 336.461 1.570 0 40 EDAB CCOc1cccc(S(=O)(=O)Nc2nnc(-c3cnn(C)c3)o2)c1 225707272 VYWJZQRNATXHIN-UHFFFAOYSA-N 349.372 1.670 0 40 EDAB Cc1ccc(C)n1CCCC(=O)NCc1ccc(S(N)(=O)=O)cc1 49031053 ZGDGLKFFDJERIV-UHFFFAOYSA-N 349.456 1.849 0 40 EDAB COc1ccc(O[C@H]2CCN(C(=O)NCc3cccs3)C2)nn1 225440660 ONFXMDZWLSBGMF-NSHDSACASA-N 334.401 1.910 0 40 EDAB CCN1C(=O)COc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc21 227162061 VSXKHGICEJYGCW-LBPRGKRZSA-N 338.429 1.995 0 40 EDAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1 226628353 DGUPNGRGMKZIAX-XSWJXKHESA-N 329.352 1.281 0 40 EDAB Cc1cccc(OCc2cn(CC(=O)Nc3cc(C)nn3C)nn2)c1 227161123 QQMHALDBSMYXOO-UHFFFAOYSA-N 340.387 1.846 0 40 EDAB COc1ccc(Br)cc1CNC(=O)[C@@H]1CCC(=O)NC1 64419068 GHFFFCFSQMSINV-SECBINFHSA-N 341.205 1.600 0 40 EDAB CC(C)n1cnc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 179156473 KMAOFDNEUTXPBF-UHFFFAOYSA-N 343.430 1.668 0 40 EDAB NC(=O)c1cccnc1N1CCC(n2cc(-c3ccccn3)nn2)CC1 20601295 YGSRCDNZQTXXDR-UHFFFAOYSA-N 349.398 1.676 0 40 EDAB COc1cccc(CN2CC[C@@]3(CCN(C(=O)N(C)C)C3)C2=O)c1 96159836 MAFHMDYASKYAJS-SFHVURJKSA-N 331.416 1.801 0 40 EDAB Cn1nc2c(cc1=O)C[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)CC2 238817727 BWKJWTZHZXPFIE-NSHDSACASA-N 341.367 1.295 0 40 EDAB CCOc1ncccc1C(=O)N1CC[C@](O)(c2cn(C(C)C)nn2)C1 583618831 PXTZNWMJZRVREG-QGZVFWFLSA-N 345.403 1.386 0 40 EDAB CN1C(=O)C[C@@H](NCc2ncn(-c3ccccc3)n2)[C@@H]1c1cccnc1 583620154 IEQMGYZLZCXUIZ-APWZRJJASA-N 348.410 1.724 0 40 EDAB Cc1cccc(OCC(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1 583618234 VUYKIMFQVPOFAW-GOSISDBHSA-N 344.415 1.666 0 40 EDAB Cn1nc(CC(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)c2ccccc21 333709702 IEBWJXMPSLMMFR-PBHICJAKSA-N 341.411 1.712 0 40 EDAB COc1ccc(CC(=O)N[C@@H]2CCc3nc(C)cn3C2)c(OC)c1 97198040 BSUWLQPMFNZDIY-CQSZACIVSA-N 329.400 1.882 0 40 EDAB CCN(C)S(=O)(=O)c1c(C)nn(CCCn2ccnc2C)c1C 96486714 JTJAXTTVSXXLJT-UHFFFAOYSA-N 339.465 1.736 0 40 EDAB CCCCNC(=O)N1CCc2nc(N3CCOCC3)nc(C)c2CC1 96254858 GWDQSSLFMMDQJT-UHFFFAOYSA-N 347.463 1.532 0 40 EDAB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)C1CC1 96520210 ZUDXVYGCFJRHSY-RNFRBKRXSA-N 338.594 1.520 0 40 EDAB CC(C)(C)OC(=O)N1CC(CO)(NC(=O)OCc2ccccc2)C1 95743266 GEDPXILIQSHPKM-UHFFFAOYSA-N 336.388 1.895 0 40 EDAB COCC(=O)N1CCC[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 96224390 NDKJAGWIZXJQNG-INIZCTEOSA-N 337.445 1.439 0 40 EDAB Cc1ccc(CS(=O)(=O)N2CC[C@@H](N(C)C)C[C@@H]2C(=O)O)cc1 96198714 UQMYYPXRBYIURI-HUUCEWRRSA-N 340.445 1.304 0 40 EDAB O=S(=O)(NC[C@H](O)C1CC1)c1cc(F)ccc1Br 96483668 RPGLGSOXQCZQED-JTQLQIEISA-N 338.198 1.637 0 40 EDAB CCN1CC2(CCN(C(=O)c3cc(C)ccn3)CC2)[C@@H](COC)C1=O 96205955 BXNMIBHRCVIODS-HNNXBMFYSA-N 345.443 1.737 0 40 EDAB COC[C@H]1c2c(cnn2CC2CC2)CCN1C(=O)c1cnoc1C 96068210 XZZIGSDENYNJMK-HNNXBMFYSA-N 330.388 1.976 0 40 EDAB O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)[C@@H]1CCc2cccnc21 333529902 XVTKTZMZYDBNMG-HZPDHXFCSA-N 336.395 1.818 0 40 EDAB C[C@]1(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)CCCN1 580776078 LSDDBLNIFAQSFY-GOSISDBHSA-N 325.416 1.353 0 40 EDAB CCN(CC(=O)NCC(C)(C)C(N)=O)Cc1ccc(Cl)cc1 96411197 OSHZCYBSJBILRH-UHFFFAOYSA-N 325.840 1.790 0 40 EDAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CCn2ccnc2)CC1 97373805 HSSNHRNZTASNHZ-MRXNPFEDSA-N 347.850 1.381 0 40 EDAB C[C@@](NC(=O)c1cccc2c1OCC(=O)N2)(C(N)=O)c1ccccc1 96404133 NGHDJSRQAWAGGB-SFHVURJKSA-N 339.351 1.148 0 40 EDAB C[C@H]1CN(C(=O)Cn2nnnc2CCCc2ccccc2)C[C@H](C)O1 96456777 STWJPZQPBRQERB-GJZGRUSLSA-N 343.431 1.484 0 40 EDAB O=C(NCCc1ccncc1)[C@H]1CN(C2CCC2)Cc2ccnn21 247470659 FJBXEVYJYGGVRK-QGZVFWFLSA-N 325.416 1.546 0 40 EDAB CN(C)CC(=O)N1CC2(C[C@@H](CCOc3ccccn3)CCO2)C1 247954571 CNXYPQCLWAADPM-HNNXBMFYSA-N 333.432 1.420 0 40 EDAB NC(=O)CN1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 257268117 MKHLTWRVUVRZGF-CQSZACIVSA-N 329.379 1.877 0 40 EDAB O=C(Cc1ccccc1F)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257224975 FEFDDTZHNROUMS-IRXDYDNUSA-N 336.407 1.052 0 40 EDAB CCOCC(=O)N1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1 257224247 FAXZIWWWQMQKFS-HKUYNNGSSA-N 332.444 1.651 0 40 EDAB O=C(Cn1cncn1)N(c1ccccc1)[C@H]1COC2(CCNCC2)C1 257273395 NGJLJZLVYKLMOI-MRXNPFEDSA-N 341.415 1.222 0 40 EDAB Cc1nc2ccccn2c1CC(=O)N1CC[C@](O)(CN2CCCC2)C1 257204209 ATNMXHGRPIJLPQ-IBGZPJMESA-N 342.443 1.244 0 40 EDAB C[C@@H]1CC[S@@](=O)CCN1C(=O)C[C@H](n1cccn1)C(F)(F)F 585108361 ZJUNWVJTZXVPNF-NFULHVNHSA-N 337.367 1.746 0 40 EDAB CNC(=O)Cn1cc(NCC23CC(CN2C(=O)OC(C)(C)C)C3)cn1 585117475 FTKZBQZJAKHTSH-UHFFFAOYSA-N 349.435 1.441 0 40 EDAB Cc1c[nH]c([C@@H]2CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CCO2)n1 257300141 RTBLKUOXEAAYAZ-HNNXBMFYSA-N 338.371 1.717 0 40 EDAB CON(C)CCNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 585127195 SKSMEUCSCZQVRO-CHWSQXEVSA-N 329.441 1.631 0 40 EDAB Cc1cccnc1CN1CCC[C@@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257242266 IBSORHVNKQFAMU-AWEZNQCLSA-N 348.472 1.971 0 40 EDAB Cc1c[nH]c([C@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 257254379 KCUSLQUUOHIMAF-OAHLLOKOSA-N 329.404 1.145 0 40 EDAB COc1ccc([C@@H]2CNCCN2CC2(O)CCN(C(C)=O)CC2)cc1 257203683 ARCIPUJNCGCIBB-SFHVURJKSA-N 347.459 1.015 0 40 EDAB CCn1nc(C2CC2)cc1C(=O)N1CC[C@](O)(CN2CCCC2)C1 257235001 GVYRWCZJCNTASV-SFHVURJKSA-N 332.448 1.453 0 40 EDAB CC(C)N(C)C(=O)[C@@H](C)Sc1nnnn1-c1ccc2c(c1)OCO2 266994722 AQZAGUMPYNCERA-SNVBAGLBSA-N 349.416 1.738 0 40 EDAB CS(=O)(=O)c1ccc(N2CCC(NC(=O)C3CCC3)CC2)cc1 363680105 SWCCBFNCEMCZES-UHFFFAOYSA-N 336.457 1.975 0 40 EDAB O=C(O)COCC(=O)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 1608756289 HKJPEOISECFTSW-INIZCTEOSA-N 343.326 1.338 0 40 EDAB CN(CC(N)=O)C[C@H]1CN([C@@H]2CCc3c(Cl)cccc32)CCO1 282227076 ZBORZYGPUOFVGM-BLLLJJGKSA-N 337.851 1.445 0 40 EDAB Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1Br 1615055443 BQXWCZITOWJVJL-UHFFFAOYSA-N 338.209 1.878 0 40 EDAB CC(C)CC(=O)N1C[C@H]2OC[C@H](CNC(=O)c3cscn3)[C@H]2C1 575403306 HBTUNHXGSLPGHK-OUCADQQQSA-N 337.445 1.392 0 40 EDAB CCS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1ccc(C)o1)C2 585103118 QOZKPPMJROYRDF-CQSZACIVSA-N 342.461 1.508 0 40 EDAB Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCOCC1 585097844 RTLYYIKQWGLSFI-OAHLLOKOSA-N 344.415 1.531 0 40 EDAB Cc1nc(CN2C[C@H]3CN(C(=O)c4conc4C)C[C@H]3C2)cs1 585107611 TYAXWMJARFFPMB-BETUJISGSA-N 332.429 1.952 0 40 EDAB O=C(CCC(F)(F)F)N[C@H]1CCCC[C@H]1n1cc(C(=O)O)nn1 1551456190 UIJWDQDNTLIENQ-WCBMZHEXSA-N 334.298 1.919 0 40 EDAB CCOC[C@@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 69739961 TXSTXQRYQLXGPY-ZDUSSCGKSA-N 344.814 1.634 0 40 EDAB O[C@@H](COc1ccc(F)cc1)CN1CCC[C@H](Cn2cncn2)C1 69840900 AGIABSXPAUIRJH-GOEBONIOSA-N 334.395 1.569 0 40 EDAB Cc1cnc(OC[C@H]2CCCN(C(=O)c3cc(C)n(C)n3)C2)nc1 1775995654 CWYAECSQKWLOAH-AWEZNQCLSA-N 329.404 1.758 0 40 EDAB C[C@H](CC(=O)N1CCC[C@H]1CS(N)(=O)=O)Cc1cccc(F)c1 73619346 INZAYIKWNUEESX-WFASDCNBSA-N 342.436 1.674 0 40 EDAB Cc1cc(=O)[nH]cc1C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 79104696 ONGDRZZPVORSMS-MRXNPFEDSA-N 330.384 1.934 0 40 EDAB Cc1ccc(S(=O)(=O)N2CCN(C3CCOCC3)CC2)cc1C 80827014 YGLNIWWUNPPDCV-UHFFFAOYSA-N 338.473 1.789 0 40 EDAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc(-n2cncn2)cc1 106762305 DTKCYVDCAKIGAX-IHRRRGAJSA-N 339.399 1.758 0 40 EDAB CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1 604204065 JCADKWXSMCSFDE-RBSFLKMASA-N 347.463 1.946 0 40 EDAB CC(=O)N1CC(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1 576005169 AZSAGIMAZJWWQS-GDBMZVCRSA-N 334.420 1.279 0 40 EDAB O=S(=O)(NC1CN(c2cnccn2)C1)c1cccc2cccnc12 1251029995 SIXNPZHMESQMPL-UHFFFAOYSA-N 341.396 1.192 0 40 EDAB C[C@H](Cn1nnc2ccccc21)NC(=O)CCn1nnc2ccccc21 12145019 FVETVOQMWPVNMW-CYBMUJFWSA-N 349.398 1.771 0 40 EDAB C[C@H]1CCCN(C(=O)[C@H](C)n2nc(-c3ccco3)cc(N)c2=O)C1 12181496 IEUJOOSVGASPHR-RYUDHWBXSA-N 330.388 1.905 0 40 EDAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc2c(s1)CCC2 13163411 OYVAPILGWVVVGA-QWRGUYRKSA-N 345.424 1.912 0 40 EDAB COc1cc(OC)cc(OCC(=O)Nc2ccccc2C(N)=O)c1 13684085 UDAXZWZYNXOEMI-UHFFFAOYSA-N 330.340 1.820 0 40 EDAB Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1c(C)nn(C)c1C 14250113 DQHTUTFIPRRKTK-UHFFFAOYSA-N 325.438 1.208 0 40 EDAB CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(C)CC2)c1 22999092 AZSHIFRTUHWTRV-UHFFFAOYSA-N 332.404 1.042 0 40 EDAB CNC(=O)c1ccc(CN(C)[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 29929898 MMACLQWODSISME-QLFBSQMISA-N 347.459 1.502 0 40 EDAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)c1F 390828616 SFVZSVGXUYBUQC-GFCCVEGCSA-N 347.394 1.822 0 40 EDAB C[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)NC1CCCC1 7281272 OTPMUPWFBSBPLT-GFCCVEGCSA-N 328.372 1.871 0 40 EDAB NC(=O)NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1 10845968 OPCPORNMZPHTNK-UHFFFAOYSA-N 330.310 1.912 0 40 EDAB CN(C)c1ccc(N2CCN(c3cnc4ccccc4n3)CC2)nn1 1889149340 DVXAOPGBLQRCJN-UHFFFAOYSA-N 335.415 1.812 0 40 EDAB COc1cccc(CN2CCO[C@]3(CCCCN(C)C3=O)C2)c1OC 2037984089 PQERPPPRZMANLD-LJQANCHMSA-N 348.443 1.917 0 40 EDAB Cc1cnc(N2CCN(c3nccc(-c4ccncc4)n3)CC2)nc1 2086968315 YFQMNZFYMSYPQF-UHFFFAOYSA-N 333.399 1.964 0 40 EDAB Cc1nc(N2CCCC2)cc(N2CCN(Cc3nnc(C)o3)CC2)n1 2087124881 WJANLABIGXGVKB-UHFFFAOYSA-N 343.435 1.399 0 40 EDAB COCCCN1C[C@]2(CCCCN2C(=O)c2csnn2)CC1=O 1565548400 YTGMHBWRDTUHJV-HNNXBMFYSA-N 338.433 1.172 0 40 EDAB CCn1c(C)cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12 4250931 UNSIKHLONLKZHJ-UHFFFAOYSA-N 337.383 1.526 0 40 EDAB CC(C)Oc1cccc(C(=O)N2C[C@H]3ON=C(C(=O)N(C)C)[C@H]3C2)c1 2055713662 SYMILGGJXHYMRE-LSDHHAIUSA-N 345.399 1.389 0 40 EDAB Cc1ncoc1C(=O)N[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055730294 VSTROZVTWUHLSE-GFCCVEGCSA-N 346.387 1.091 0 40 EDAB O=C(NC[C@@H](O)Cn1ccccc1=O)c1nc2ccccc2s1 211128039 GYKLBXXVGCLIKB-LLVKDONJSA-N 329.381 1.249 0 40 EDAB C[C@H]1CN(c2nccc(C(F)(F)F)n2)CCN1Cc1cnn(C)c1 2298028487 ICKNEZWJMIBJKL-NSHDSACASA-N 340.353 1.940 0 40 EDAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 24679668 SDZKDMGTXBDOTK-ZDUSSCGKSA-N 335.429 1.712 0 40 EDAB Cc1ccc(C(=O)NCc2cccnc2N2CCOCC2)c(O)c1 31285368 FPOQNSYPXVBVAX-UHFFFAOYSA-N 327.384 1.862 0 40 EDAB CCCNC(=O)CSc1nnc(S[C@@H]2CCOC2=O)s1 40456970 BLDJMXWVEGHPJC-SSDOTTSWSA-N 333.460 1.564 0 40 EDAB Cn1c(Cn2nnc(-c3cccc(F)c3)n2)nc2ccccc2c1=O 31734909 DOOWNPLSFSQCGG-UHFFFAOYSA-N 336.330 1.774 0 40 EDAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)[C@H]3CCCO3)ccc21 40501798 OHPSULJDIRSBGH-BDJLRTHQSA-N 338.429 1.441 0 40 EDAB Cc1cccc(Cn2[nH]cc/c2=N\C(=O)CN2CCN(C)C[C@@H]2C)c1 102083762 RDUULHBQLKLVIT-QMWCZEAPSA-N 341.459 1.236 0 40 EDAB O=C1OCCN1c1ccc(S(=O)(=O)NCc2cccnc2)cc1 41451779 MHSIWRYSTMLILN-UHFFFAOYSA-N 333.369 1.517 0 40 EDAB Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1 527575 WRGKPHUICCMMAB-UHFFFAOYSA-N 344.375 1.924 0 40 EDAB O=C(CS[C@@H]1CCS(=O)(=O)C1)NCC1(c2ccccc2)CC1 42008493 NDKKBNLZTWJZII-CQSZACIVSA-N 339.482 1.755 0 40 EDAB